(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943400    0.000000    0.000000
     0.000000    9.943400    0.000000
     0.000000    0.000000   13.844600
   Si   O    H 
    32    64    10
Direct configuration=     1
   0.15840317  0.17076789  0.00737658
   0.40383886  0.08294596  0.37917527
   0.13505552  0.41979314  0.14205153
   0.38226648  0.33475303  0.25591050
   0.16184364  0.17406859  0.50609706
   0.39462417  0.07887060  0.88074299
   0.09759869  0.42942047  0.62626840
   0.34278206  0.33671923  0.75727059
   0.14907205  0.66825510  0.01126627
   0.41762015  0.57785811  0.37824854
   0.07795364  0.92194361  0.13548704
   0.33156101  0.82668408  0.25161414
   0.15076947  0.66701544  0.48660972
   0.40309672  0.57696860  0.88586731
   0.06740009  0.90858963  0.60708137
   0.33488386  0.91952701  0.71252860
   0.66052686  0.16689352  0.99352936
   0.90611360  0.07658195  0.37943967
   0.62818652  0.41411020  0.12200593
   0.86436813  0.26926137  0.19805188
   0.66172050  0.18168746  0.50316355
   0.91330322  0.07711454  0.87587211
   0.59468695  0.43032364  0.62490050
   0.84667586  0.33398921  0.75146057
   0.65380819  0.67196460  0.00772853
   0.88825882  0.58232269  0.38851104
   0.58180471  0.92803794  0.13107348
   0.82872696  0.82740678  0.25560772
   0.63903547  0.69689330  0.49337667
   0.90512810  0.58070720  0.87945489
   0.60790542  0.94325929  0.63480710
   0.83383464  0.83364585  0.75013092
   0.04457042  0.10403147  0.10402571
   0.28985043  0.17697757  0.29112085
   0.20462895  0.34524634  0.03121214
   0.45980537  0.39711810  0.36413009
   0.50717560  0.28339768  0.16351184
   0.27685668  0.47626714  0.21097952
   0.32255289  0.07588632  0.49980431
   0.06954453  0.17543252  0.38374726
   0.05626329  0.09903778  0.60637070
   0.27935118  0.17088358  0.79728897
   0.21058116  0.35255347  0.53566214
   0.45396467  0.40456081  0.85170009
   0.43895829  0.31760757  0.63820751
   0.18894053  0.44744146  0.74502087
   0.32111737  0.07561031  0.00424637
   0.07431257  0.17371395  0.88458361
   0.03868464  0.57590527  0.10409362
   0.30711269  0.64054213  0.27809562
   0.19312578  0.84571436  0.04690841
   0.44572575  0.90339573  0.34220208
   0.41207483  0.84020854  0.12904056
   0.16079605  0.91285271  0.25653555
   0.33206462  0.60653365  0.49818889
   0.07304566  0.61488376  0.37137837
   0.04715453  0.60103986  0.58738003
   0.28860467  0.64546583  0.79368046
   0.14568631  0.85257050  0.49224529
   0.39853857  0.90977805  0.83567424
   0.45638302  0.83675172  0.63227674
   0.16870191  0.84202131  0.70830977
   0.31497321  0.57184018  0.00553907
   0.06405696  0.68044176  0.88920458
   0.55132612  0.10900825  0.09580066
   0.78753457  0.14548458  0.28543041
   0.69878574  0.35047040  0.00783421
   0.86322453  0.39921500  0.39461663
   0.04377846  0.29605607  0.22411959
   0.76891060  0.42736530  0.20723690
   0.82144967  0.07915608  0.50008602
   0.57046350  0.17780990  0.38297785
   0.55544507  0.11679258  0.60166867
   0.79678981  0.15751184  0.78545081
   0.70690346  0.35970608  0.53032685
   0.95685112  0.40547773  0.84540338
   0.93916428  0.32439801  0.63376347
   0.68912114  0.44267047  0.74297298
   0.82446892  0.06939454  0.99498946
   0.57173311  0.14800067  0.87435699
   0.54955142  0.58390207  0.10063220
   0.79064796  0.64812239  0.28387166
   0.69961319  0.84854832  0.04380689
   0.94585929  0.89781186  0.34882973
   0.91188487  0.83170870  0.13428577
   0.66268664  0.92360588  0.25461330
   0.82385724  0.65877128  0.50323457
   0.57954911  0.66081874  0.37253670
   0.53467869  0.60471377  0.58839109
   0.79042567  0.65444786  0.78445021
   0.61047337  0.87773105  0.50702872
   0.95979293  0.90287245  0.83490854
   0.89541904  0.83650487  0.61986290
   0.68050955  0.93839924  0.75646485
   0.81631824  0.57249384  0.99854081
   0.56103686  0.68151059  0.88977086
   0.70864162  0.89530025  0.56954182
   0.66253212  0.92937052  0.45213010
   0.85112706  0.21766734  0.10212882
   0.84112896  0.36238016  0.32531203
   0.32324174  0.05783447  0.68543198
   0.19038297  0.61188092  0.80736330
   0.32123473  0.65664749  0.35236078
   0.26951663  0.86117589  0.16178478
   0.85000166  0.32218216  0.64854761
   0.94467374  0.32730096  0.55805362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941502    0.001059   -0.001998
     0.000000    9.942319   -0.002069
     0.000000    0.000000   13.843875
   Si   O    H 
    32    64    10
Direct configuration=     2
   0.15791530  0.17217315  0.00800916
   0.40332316  0.08449054  0.37924669
   0.13325575  0.41984666  0.14286357
   0.38156977  0.33327861  0.25538149
   0.16222910  0.17481775  0.50568196
   0.39630254  0.07961621  0.87985660
   0.09783972  0.43099673  0.62699721
   0.34326131  0.33703582  0.75629900
   0.14945245  0.66775814  0.01107234
   0.41973724  0.57626918  0.37832173
   0.07660496  0.91986914  0.13527330
   0.33220264  0.82630824  0.25178075
   0.15063313  0.66781748  0.48640492
   0.40249937  0.57763616  0.88685623
   0.06746246  0.90834173  0.60699665
   0.33446076  0.91933320  0.71184878
   0.66030492  0.16626985  0.99306039
   0.90533934  0.07811017  0.37966381
   0.62750446  0.41435699  0.12092368
   0.86456559  0.26793074  0.19831000
   0.66136374  0.18171046  0.50265899
   0.91164058  0.07623477  0.87617248
   0.59508479  0.43027359  0.62549567
   0.84642061  0.33389297  0.75274910
   0.65358592  0.67259829  0.00876106
   0.88747885  0.58269321  0.38828054
   0.58223312  0.92904585  0.13186219
   0.82790366  0.82753702  0.25515231
   0.63875725  0.69639862  0.49337162
   0.90648380  0.58131297  0.88044610
   0.60594580  0.94262645  0.63459420
   0.83456197  0.83263566  0.74992909
   0.04616823  0.10270815  0.10415765
   0.29227523  0.17712089  0.29011718
   0.20500279  0.34592256  0.03243534
   0.45806610  0.39806025  0.36319729
   0.50654872  0.28617421  0.16377668
   0.27744170  0.47479656  0.21042636
   0.32394289  0.07495963  0.49822302
   0.06929399  0.17459327  0.38407536
   0.05645606  0.10017463  0.60643003
   0.27985735  0.17179724  0.79731883
   0.21071200  0.35207537  0.53597153
   0.45314849  0.40352644  0.85154770
   0.44075024  0.31893520  0.63748469
   0.18899056  0.44576959  0.74344559
   0.32119644  0.07411760  0.00370992
   0.07354579  0.17298019  0.88604729
   0.04075517  0.57581005  0.10418199
   0.30852639  0.64035977  0.27798901
   0.19262217  0.84617680  0.04770984
   0.44487413  0.90401180  0.34209501
   0.41278230  0.84041472  0.12887773
   0.16039678  0.91266641  0.25635931
   0.33207618  0.60778727  0.49756252
   0.07256816  0.61853793  0.37180024
   0.04712013  0.60381800  0.58637734
   0.28884398  0.64460120  0.79493685
   0.14478512  0.85189391  0.49356494
   0.39889950  0.91040321  0.83511549
   0.45527930  0.83736033  0.63317483
   0.17066879  0.84355874  0.70893451
   0.31550588  0.57198514  0.00432023
   0.06338317  0.67882683  0.89036457
   0.55223966  0.10821356  0.09602282
   0.79020800  0.14528297  0.28573699
   0.69783077  0.35033584  0.00934305
   0.86049673  0.40009466  0.39205313
   0.04502726  0.29786232  0.22436870
   0.76787565  0.42623280  0.20816285
   0.82125621  0.07873631  0.50047712
   0.57186917  0.17591869  0.38427562
   0.55531473  0.11545828  0.60092855
   0.79928503  0.15783264  0.78621626
   0.70736288  0.35839819  0.52986779
   0.95657952  0.40546180  0.84512649
   0.94048448  0.32420264  0.63321432
   0.68779553  0.44144056  0.74167076
   0.82416441  0.07019489  0.99305797
   0.57218331  0.14803242  0.87490628
   0.54991350  0.58315778  0.09964264
   0.79140747  0.64758201  0.28543164
   0.69836081  0.84783937  0.04408168
   0.94555132  0.89694807  0.34834451
   0.91249863  0.82996315  0.13589636
   0.66367802  0.92318653  0.25375539
   0.82142892  0.65830855  0.50324687
   0.57906891  0.66019268  0.37387515
   0.53529116  0.60597527  0.58814830
   0.79027431  0.65606493  0.78641678
   0.61066632  0.87754123  0.50566797
   0.95945801  0.90018912  0.83313676
   0.89531359  0.83769658  0.62030083
   0.68452007  0.93739884  0.75572996
   0.81728617  0.57354916  0.99966547
   0.56053417  0.68098949  0.89087763
   0.71993593  0.89103083  0.57896878
   0.66098075  0.93321929  0.45723748
   0.85174253  0.22167289  0.10239025
   0.84053839  0.37058264  0.33668275
   0.33757604  0.05963710  0.68279262
   0.19961526  0.61707448  0.80597403
   0.29190185  0.67705281  0.35587562
   0.26445615  0.86394530  0.15232469
   0.81650621  0.32674192  0.64067909
   0.94533625  0.32963499  0.54978807
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938958    0.001827   -0.004156
     0.000000    9.940650   -0.003625
     0.000000    0.000000   13.842787
   Si   O    H 
    32    64    10
Direct configuration=     3
   0.15813941  0.17346507  0.00884208
   0.40356800  0.08581356  0.37950098
   0.13181142  0.42042347  0.14371781
   0.38117039  0.33161483  0.25490386
   0.16264222  0.17522800  0.50529896
   0.39807281  0.08067047  0.87911350
   0.09854536  0.43246510  0.62749882
   0.34432393  0.33744324  0.75531742
   0.14991244  0.66713801  0.01027642
   0.42199091  0.57426280  0.37902157
   0.07542862  0.91768497  0.13550830
   0.33293743  0.82617033  0.25238755
   0.15049726  0.66835373  0.48623984
   0.40175778  0.57787178  0.88714956
   0.06782929  0.90813683  0.60708893
   0.33419830  0.91886017  0.71097356
   0.66017931  0.16564248  0.99302709
   0.90487893  0.07930311  0.37999038
   0.62643908  0.41437441  0.11977051
   0.86473454  0.26700399  0.19874641
   0.66107056  0.18192378  0.50257088
   0.91010566  0.07570977  0.87634692
   0.59504997  0.43064454  0.62598831
   0.84490465  0.33368541  0.75486462
   0.65394888  0.67304063  0.00926939
   0.88602618  0.58285918  0.38837571
   0.58241339  0.92937235  0.13220015
   0.82695885  0.82751404  0.25474808
   0.63856245  0.69497946  0.49295593
   0.90789399  0.58144526  0.88170622
   0.60428497  0.94177799  0.63465497
   0.83493904  0.83222970  0.74931206
   0.04807716  0.10119225  0.10403478
   0.29598616  0.17729236  0.28937565
   0.20503752  0.34655771  0.03392900
   0.45585939  0.39937924  0.36170336
   0.50645921  0.29024638  0.16487310
   0.27768966  0.47204241  0.20981332
   0.32507483  0.07420490  0.49615172
   0.06751661  0.17300690  0.38479239
   0.05738874  0.10045658  0.60576583
   0.28090042  0.17281254  0.79691399
   0.21009049  0.35145430  0.53671883
   0.45263526  0.40342955  0.85111664
   0.44298218  0.32127795  0.63779048
   0.18869893  0.44354626  0.74160529
   0.32118037  0.07333018  0.00275897
   0.07199846  0.17218311  0.88847141
   0.04278767  0.57596672  0.10381067
   0.30999167  0.64175158  0.27839848
   0.19138887  0.84567794  0.04820907
   0.44280663  0.90527066  0.34182663
   0.41437406  0.84005269  0.12887981
   0.16111289  0.91288674  0.25603559
   0.33148254  0.60901396  0.49643943
   0.07207720  0.62233853  0.37311576
   0.04787768  0.60542389  0.58475482
   0.29079958  0.64355303  0.79577010
   0.14251382  0.85101046  0.49535206
   0.39885262  0.91218917  0.83465465
   0.45417193  0.83814361  0.63482955
   0.17312641  0.84561163  0.70862832
   0.31508924  0.57288643  0.00203022
   0.06248548  0.67667842  0.89219345
   0.55372648  0.10698486  0.09571124
   0.79312756  0.14536819  0.28643443
   0.69621193  0.35000707  0.01075957
   0.85878553  0.40277852  0.39150946
   0.04575213  0.29980098  0.22475467
   0.76570828  0.42492335  0.20864744
   0.82053285  0.07905009  0.49985203
   0.57324888  0.17347363  0.38599751
   0.55636231  0.11373106  0.60000301
   0.80343827  0.15837540  0.78718070
   0.70696584  0.35720984  0.53005510
   0.95509738  0.40578170  0.84458338
   0.94222082  0.32481264  0.63178173
   0.68693808  0.43983070  0.74020817
   0.82393762  0.07118101  0.99064811
   0.57124236  0.14756713  0.87627429
   0.55113753  0.58232009  0.09922810
   0.79260412  0.64772334  0.28696744
   0.69630797  0.84614400  0.04412864
   0.94546939  0.89594936  0.34806897
   0.91397883  0.82783663  0.13836931
   0.66524888  0.92260180  0.25252065
   0.81847907  0.65787234  0.50276185
   0.57928290  0.65848549  0.37576890
   0.53700723  0.60629551  0.58743469
   0.79135904  0.65823784  0.78834890
   0.61102467  0.87716215  0.50314614
   0.95845383  0.89792598  0.83142043
   0.89595062  0.83808269  0.62201780
   0.68838776  0.93640333  0.75435084
   0.81824580  0.57597193  0.99947599
   0.55886751  0.68012377  0.89246381
   0.73901721  0.89317010  0.59600787
   0.65971112  0.93560242  0.46101939
   0.85282179  0.22174786  0.09984177
   0.83041293  0.36443323  0.32288942
   0.35106533  0.05900635  0.67836912
   0.20125783  0.62143314  0.80562231
   0.26026186  0.69940173  0.35360379
   0.26169994  0.86591970  0.13895606
   0.78143398  0.32886472  0.63452583
   0.94707230  0.33170548  0.54604222
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935603    0.001871   -0.005923
     0.000000    9.938289   -0.005380
     0.000000   -0.000000   13.841048
   Si   O    H 
    32    64    10
Direct configuration=     4
   0.15822136  0.17490495  0.00975157
   0.40398678  0.08702293  0.37993222
   0.13097877  0.42157910  0.14429917
   0.38153945  0.32964234  0.25458878
   0.16312144  0.17597423  0.50523289
   0.39996158  0.08066773  0.87865949
   0.09938671  0.43388863  0.62761998
   0.34556172  0.33792686  0.75386786
   0.15026032  0.66677502  0.00949053
   0.42397587  0.57218368  0.37965298
   0.07400515  0.91533370  0.13572672
   0.33403304  0.82633001  0.25292212
   0.15091009  0.66836679  0.48598681
   0.40115969  0.57804697  0.88769842
   0.06819585  0.90835483  0.60734229
   0.33394579  0.91836514  0.71014278
   0.65989501  0.16545418  0.99310535
   0.90518398  0.08066424  0.38013847
   0.62582978  0.41400435  0.11879138
   0.86458364  0.26661556  0.19925932
   0.66026385  0.18195444  0.50257727
   0.90884514  0.07586142  0.87664268
   0.59473602  0.43057872  0.62644670
   0.84303516  0.33323502  0.75688315
   0.65377389  0.67345804  0.00951299
   0.88474625  0.58288678  0.38845791
   0.58316473  0.93017402  0.13291992
   0.82614255  0.82708795  0.25413700
   0.63848918  0.69410543  0.49292426
   0.90946703  0.58161994  0.88288808
   0.60289169  0.94097447  0.63538801
   0.83497306  0.83184776  0.74890090
   0.05052019  0.09926377  0.10325346
   0.29977725  0.17796117  0.28857075
   0.20408688  0.34768468  0.03594560
   0.45337841  0.40062674  0.35999497
   0.50660977  0.29612561  0.16642091
   0.27798556  0.46818367  0.20959258
   0.32604556  0.07411248  0.49392273
   0.06644049  0.17126859  0.38614570
   0.05954921  0.10100133  0.60383301
   0.28211478  0.17559380  0.79665816
   0.20917437  0.35045225  0.53719582
   0.45068483  0.40431036  0.84998602
   0.44449464  0.32394813  0.63823303
   0.18831714  0.44074902  0.73964764
   0.32060648  0.07320528  0.00075661
   0.07027376  0.17056861  0.89092506
   0.04561176  0.57560598  0.10286601
   0.31194027  0.64356194  0.27924580
   0.18908028  0.84504770  0.04912841
   0.44014045  0.90681281  0.34147731
   0.41595089  0.84090670  0.12982632
   0.16195870  0.91254329  0.25590660
   0.33045418  0.61068894  0.49465432
   0.07086628  0.62595914  0.37475759
   0.04903072  0.60712114  0.58308668
   0.29410038  0.64282099  0.79673252
   0.14017370  0.84956610  0.49810056
   0.39817726  0.91386803  0.83445035
   0.45313504  0.83958911  0.63603541
   0.17589952  0.84841298  0.70749480
   0.31382725  0.57447778 -0.00064325
   0.06190755  0.67457167  0.89443567
   0.55598564  0.10548916  0.09536288
   0.79652883  0.14549168  0.28672298
   0.69361197  0.35004119  0.01284054
   0.85638236  0.40549389  0.39133154
   0.04603168  0.30262318  0.22473276
   0.76349132  0.42269469  0.20913967
   0.81846185  0.07995532  0.49824782
   0.57418079  0.17065074  0.38769886
   0.55877758  0.11168387  0.59906342
   0.80756583  0.15886971  0.78838161
   0.70674352  0.35610120  0.53027234
   0.95302175  0.40639808  0.84367078
   0.94421373  0.32543051  0.63040674
   0.68598464  0.43836587  0.73888303
   0.82352217  0.07235731  0.98778807
   0.57002583  0.14704667  0.87805644
   0.55306621  0.58123168  0.09862044
   0.79369143  0.64855183  0.28826083
   0.69347806  0.84367102  0.04430851
   0.94354316  0.89556791  0.34804335
   0.91589021  0.82606256  0.14069849
   0.66767288  0.92215864  0.25134132
   0.81518730  0.65730401  0.50209169
   0.57876404  0.65760271  0.37781670
   0.53931350  0.60590843  0.58694797
   0.79320963  0.66082973  0.79035182
   0.61143142  0.87601302  0.50059391
   0.95683007  0.89604355  0.83022637
   0.89844265  0.83941580  0.62356958
   0.69306105  0.93478626  0.75305489
   0.81896899  0.57810819  0.99906516
   0.55721764  0.67837174  0.89378127
   0.75414584  0.89754109  0.61697909
   0.66430582  0.93868856  0.46084710
   0.85270245  0.21771145  0.09767831
   0.82497511  0.36521636  0.31756627
   0.36337082  0.05664542  0.67477752
   0.19120728  0.62251840  0.80514453
   0.22987861  0.71438937  0.34729660
   0.26326102  0.86860188  0.12207944
   0.74545631  0.32851746  0.63362364
   0.95070982  0.33147101  0.55111121
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931680    0.001263   -0.008483
     0.000000    9.935269   -0.006572
     0.000000   -0.000000   13.839079
   Si   O    H 
    32    64    10
Direct configuration=     5
   0.15805981  0.17589178  0.01064652
   0.40478799  0.08786041  0.37972546
   0.12994958  0.42245509  0.14486822
   0.38132867  0.32839379  0.25469483
   0.16324618  0.17721618  0.50554961
   0.40215314  0.08022416  0.87817183
   0.09998308  0.43467276  0.62802898
   0.34663953  0.33854695  0.75258139
   0.15046284  0.66595994  0.00888310
   0.42573994  0.56988002  0.38049625
   0.07216854  0.91323364  0.13666053
   0.33496273  0.82659254  0.25358106
   0.15101994  0.66870437  0.48557434
   0.40058965  0.57845734  0.88780838
   0.06845403  0.90918897  0.60805620
   0.33412023  0.91781460  0.70966530
   0.65975584  0.16552224  0.99298174
   0.90526687  0.08212627  0.38012784
   0.62588603  0.41360422  0.11736838
   0.86402432  0.26693188  0.19986971
   0.65946838  0.18175097  0.50268986
   0.90839954  0.07561734  0.87694151
   0.59481946  0.42979977  0.62741144
   0.84112920  0.33286699  0.75911866
   0.65385757  0.67390420  0.00952642
   0.88365973  0.58323824  0.38872891
   0.58400143  0.93082747  0.13372708
   0.82591755  0.82632590  0.25366762
   0.63848822  0.69286852  0.49300714
   0.91111078  0.58163234  0.88397849
   0.60090962  0.94018600  0.63612692
   0.83550982  0.83136450  0.74834865
   0.05335383  0.09746632  0.10205567
   0.30452110  0.17846702  0.28857661
   0.20281947  0.34818848  0.03816873
   0.45080670  0.40160523  0.35802042
   0.50703874  0.30220097  0.16846920
   0.27815924  0.46294500  0.20890695
   0.32682013  0.07397850  0.49167678
   0.06522520  0.16899882  0.38825752
   0.06136327  0.10105338  0.60178178
   0.28431711  0.17975038  0.79620534
   0.20769461  0.34992293  0.53757305
   0.44819461  0.40538258  0.84900417
   0.44648132  0.32681516  0.63913051
   0.18809458  0.43795760  0.73686282
   0.31927876  0.07443446 -0.00139248
   0.06927181  0.16876313  0.89358455
   0.04896394  0.57350567  0.10240080
   0.31485908  0.64604335  0.27996328
   0.18694853  0.84429064  0.05009895
   0.43648362  0.90908256  0.34114429
   0.41773070  0.84141630  0.13087899
   0.16273910  0.91179244  0.25536431
   0.32873459  0.61196075  0.49267254
   0.07018312  0.62902821  0.37695520
   0.05009214  0.60788804  0.58174275
   0.29738647  0.64251544  0.79821347
   0.13746513  0.84781684  0.50080511
   0.39717949  0.91544763  0.83436146
   0.45327116  0.84155078  0.63780210
   0.17797945  0.85102625  0.70585390
   0.31243123  0.57703363 -0.00369644
   0.06107731  0.67244522  0.89758994
   0.55876109  0.10344985  0.09457260
   0.80023586  0.14579859  0.28655763
   0.69058984  0.35021291  0.01484191
   0.85449060  0.40800792  0.39014256
   0.04638740  0.30569624  0.22371949
   0.76204475  0.42031162  0.20905784
   0.81591623  0.08126311  0.49634482
   0.57483567  0.16828183  0.39010969
   0.56108764  0.11038504  0.59761271
   0.81195329  0.16020657  0.79011724
   0.70631499  0.35506732  0.52993258
   0.95117718  0.40757483  0.84259868
   0.94681582  0.32660568  0.62807433
   0.68478858  0.43647876  0.73770334
   0.82279583  0.07451315  0.98498444
   0.56947595  0.14688506  0.88072899
   0.55534552  0.57995494  0.09781753
   0.79561542  0.65046133  0.28950435
   0.69054375  0.84062759  0.04407380
   0.94170529  0.89629767  0.34813741
   0.91799515  0.82554112  0.14367197
   0.66988631  0.92211364  0.24937684
   0.81191886  0.65618934  0.50123912
   0.57806729  0.65629672  0.38058909
   0.54254196  0.60472979  0.58663067
   0.79576020  0.66409463  0.79190356
   0.61222349  0.87454012  0.49793287
   0.95426557  0.89511964  0.82901183
   0.90101586  0.84046314  0.62512926
   0.69753530  0.93306996  0.75122698
   0.81928079  0.57943948  0.99892386
   0.55582700  0.67605496  0.89617182
   0.76096257  0.90259637  0.63423074
   0.67133407  0.93786978  0.45918823
   0.85082660  0.21628262  0.09883931
   0.82317255  0.37309361  0.32457221
   0.37164463  0.05339322  0.67185127
   0.19065087  0.62314912  0.80540847
   0.20636002  0.72713644  0.33755660
   0.26943760  0.86839710  0.09965081
   0.71893038  0.32082193  0.63265180
   0.94835254  0.32911905  0.56112008
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927339    0.000280   -0.011320
     0.000000    9.932165   -0.007022
     0.000000   -0.000000   13.836395
   Si   O    H 
    32    64    10
Direct configuration=     6
   0.15719932  0.17713129  0.01177212
   0.40544646  0.08835844  0.37954417
   0.12963590  0.42255870  0.14467737
   0.38181012  0.32780181  0.25495742
   0.16300218  0.17881225  0.50571466
   0.40427757  0.07984209  0.87779905
   0.10041876  0.43517656  0.62872367
   0.34723400  0.33923418  0.75150754
   0.15125140  0.66461007  0.00868195
   0.42727025  0.56848625  0.38127004
   0.07007772  0.91133885  0.13809733
   0.33549511  0.82652220  0.25392076
   0.15132550  0.66911336  0.48460981
   0.40012148  0.57910813  0.88783076
   0.06841159  0.91034050  0.60905619
   0.33461564  0.91710015  0.70919334
   0.65932389  0.16539416  0.99300822
   0.90562335  0.08417113  0.37976113
   0.62659270  0.41302254  0.11621282
   0.86331416  0.26749933  0.20091496
   0.65870426  0.18160568  0.50325731
   0.90827971  0.07544246  0.87762355
   0.59460260  0.42943206  0.62836849
   0.83944668  0.33285135  0.76117855
   0.65368137  0.67503518  0.00956590
   0.88269873  0.58445368  0.38910013
   0.58466932  0.93154961  0.13398201
   0.82589999  0.82536979  0.25327988
   0.63895810  0.69230264  0.49331749
   0.91250786  0.58234052  0.88509595
   0.59936254  0.93903952  0.63653605
   0.83635976  0.83012275  0.74787537
   0.05690820  0.09534616  0.10051855
   0.30901017  0.17872517  0.28878166
   0.20139997  0.34799559  0.04013173
   0.44760920  0.40321219  0.35588049
   0.50759777  0.30844429  0.17054670
   0.27794936  0.45705412  0.20809277
   0.32763135  0.07479885  0.48928684
   0.06377842  0.16736596  0.39080488
   0.06343320  0.09979393  0.59958269
   0.28687933  0.18315267  0.79577548
   0.20573275  0.34868956  0.53780286
   0.44552675  0.40608600  0.84746490
   0.44840394  0.33047267  0.64080321
   0.18871585  0.43399601  0.73393084
   0.31733549  0.07502192 -0.00442011
   0.06853771  0.16651432  0.89643851
   0.05279193  0.57176467  0.10136404
   0.31779005  0.64911601  0.28114507
   0.18430529  0.84367024  0.05139574
   0.43317135  0.91228139  0.34057527
   0.41935170  0.84216447  0.13234509
   0.16312861  0.91091958  0.25423865
   0.32649592  0.61290057  0.49024897
   0.06826862  0.63186048  0.37826453
   0.05158899  0.60791084  0.58078163
   0.29966411  0.64104857  0.79956347
   0.13522611  0.84596803  0.50378166
   0.39590207  0.91800133  0.83413168
   0.45280475  0.84300785  0.63968861
   0.17969281  0.85487252  0.70430419
   0.31024583  0.57977489 -0.00645073
   0.05958726  0.67046703  0.90014938
   0.56229937  0.10165520  0.09351054
   0.80422398  0.14649970  0.28677279
   0.68777307  0.34972367  0.01669544
   0.85257624  0.41112864  0.38897077
   0.04693452  0.30900830  0.22189036
   0.76072236  0.41756275  0.20865721
   0.81329434  0.08399471  0.49412166
   0.57508327  0.16545106  0.39224333
   0.56392298  0.10892225  0.59579600
   0.81687034  0.16177553  0.79163620
   0.70493208  0.35269597  0.52972060
   0.94898520  0.40913648  0.84157878
   0.94971069  0.32810043  0.62682076
   0.68432063  0.43462477  0.73671910
   0.82155268  0.07765276  0.98204065
   0.56860654  0.14620882  0.88334764
   0.55881417  0.57756584  0.09721494
   0.79781188  0.65277975  0.29102289
   0.68673131  0.83688894  0.04416541
   0.93916058  0.89754327  0.34782312
   0.91997326  0.82519645  0.14603060
   0.67280368  0.92166738  0.24710986
   0.80853163  0.65445986  0.49975608
   0.57693765  0.65500126  0.38385087
   0.54612930  0.60332383  0.58647495
   0.79935374  0.66731626  0.79352888
   0.61292167  0.87282106  0.49532820
   0.95147928  0.89494530  0.82826021
   0.90349898  0.84161757  0.62686110
   0.70053527  0.93160027  0.74994261
   0.81913094  0.58163165  0.99832211
   0.55390122  0.67304933  0.89847742
   0.75799874  0.90900560  0.64170068
   0.67542976  0.93140564  0.45898166
   0.84796263  0.21582870  0.10258486
   0.82292260  0.38656652  0.33638632
   0.37582260  0.04913459  0.66992737
   0.20519786  0.62668177  0.80487661
   0.18634720  0.73752339  0.32759365
   0.27833231  0.86654104  0.07452429
   0.69927777  0.30800551  0.63432266
   0.94124130  0.32747348  0.55992075
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922385   -0.000574   -0.014244
     0.000000    9.928706   -0.007493
    -0.000000   -0.000000   13.833790
   Si   O    H 
    32    64    10
Direct configuration=     7
   0.15611540  0.17762776  0.01293853
   0.40624689  0.08887184  0.37930273
   0.12922442  0.42215956  0.14471328
   0.38216891  0.32787160  0.25530559
   0.16240846  0.17920340  0.50565562
   0.40603949  0.07946158  0.87753073
   0.10125888  0.43502306  0.62889093
   0.34788009  0.34006114  0.75047091
   0.15213264  0.66300146  0.00879282
   0.42810819  0.56752830  0.38254361
   0.06786753  0.90940124  0.13946061
   0.33574775  0.82658991  0.25409479
   0.15226335  0.66972772  0.48380325
   0.39986267  0.58014862  0.88784390
   0.06888016  0.91169433  0.61009807
   0.33527275  0.91632773  0.70925180
   0.65891050  0.16553773  0.99309581
   0.90594400  0.08541245  0.37930703
   0.62692550  0.41239747  0.11538237
   0.86208289  0.26840702  0.20231981
   0.65811296  0.18158973  0.50394151
   0.90819006  0.07502358  0.87809185
   0.59437439  0.42956501  0.62904188
   0.83747180  0.33329972  0.76326958
   0.65379407  0.67557543  0.00969155
   0.88134907  0.58561441  0.38910500
   0.58555142  0.93247682  0.13424546
   0.82571318  0.82448292  0.25311883
   0.63950320  0.69162249  0.49379584
   0.91351675  0.58300501  0.88615698
   0.59834444  0.93849441  0.63689364
   0.83703018  0.82908462  0.74784496
   0.06006220  0.09363775  0.09950066
   0.31376555  0.17875925  0.28904479
   0.19981699  0.34790791  0.04221269
   0.44469153  0.40449434  0.35340306
   0.50870044  0.31392788  0.17321767
   0.27736649  0.45086075  0.20741590
   0.32826485  0.07758450  0.48698122
   0.06193200  0.16624841  0.39337232
   0.06657615  0.09759669  0.59741445
   0.28992591  0.18615601  0.79566390
   0.20375340  0.34726701  0.53808294
   0.44288568  0.40634694  0.84559386
   0.44948008  0.33491953  0.64292424
   0.18909603  0.43110844  0.73129753
   0.31547426  0.07606549 -0.00818116
   0.06703120  0.16483553  0.89989214
   0.05704271  0.56976024  0.10054158
   0.32089892  0.65276738  0.28299446
   0.18175919  0.84309899  0.05210924
   0.42952662  0.91586168  0.33997904
   0.42165341  0.84234944  0.13406652
   0.16298737  0.90980047  0.25287485
   0.32448023  0.61399281  0.48841361
   0.06516289  0.63532160  0.38005259
   0.05389973  0.60682872  0.57968477
   0.30233776  0.63963233  0.80052917
   0.13305764  0.84377818  0.50723983
   0.39488423  0.92143733  0.83393629
   0.45246704  0.84415441  0.64167354
   0.18210018  0.85886352  0.70186389
   0.30845844  0.58214563 -0.00882883
   0.05792779  0.66785948  0.90276766
   0.56652660  0.10014963  0.09202454
   0.80856156  0.14750623  0.28713369
   0.68419650  0.34874319  0.01824212
   0.85196536  0.41593355  0.39039142
   0.04637304  0.31263442  0.21980597
   0.75868055  0.41400605  0.20764384
   0.81102875  0.08692227  0.49151648
   0.57440781  0.16304814  0.39424707
   0.56720744  0.10700227  0.59344338
   0.82159000  0.16367167  0.79304787
   0.70288146  0.35056737  0.52947276
   0.94624238  0.41107464  0.84063314
   0.95391456  0.33029694  0.62645284
   0.68442720  0.43312623  0.73570103
   0.82016439  0.08077216  0.98005089
   0.56792561  0.14489624  0.88644827
   0.56236907  0.57426528  0.09602799
   0.79984081  0.65572991  0.29243915
   0.68277562  0.83374604  0.04446316
   0.93584613  0.89906219  0.34794572
   0.92115858  0.82518532  0.14780687
   0.67548073  0.92045456  0.24406226
   0.80527942  0.65332638  0.49857443
   0.57557724  0.65391964  0.38699250
   0.54964283  0.60201339  0.58616718
   0.80322587  0.67025232  0.79512310
   0.61484360  0.87099219  0.49317126
   0.94851645  0.89596353  0.82751601
   0.90645669  0.84343426  0.62905186
   0.70230760  0.93073555  0.74946238
   0.81859436  0.58387579  0.99680399
   0.55123020  0.66932580  0.90094778
   0.74612861  0.91560748  0.63821666
   0.67692894  0.92248680  0.45844295
   0.84524171  0.21191328  0.10988917
   0.80536258  0.38693788  0.31578215
   0.37550273  0.04587558  0.67129905
   0.21231814  0.62977846  0.80490205
   0.17060514  0.74633923  0.31716108
   0.29097615  0.86792198  0.05274613
   0.68505456  0.29012230  0.63783058
   0.92624556  0.32207897  0.55113523
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916718   -0.001079   -0.017220
    -0.000000    9.924836   -0.007530
    -0.000000   -0.000000   13.830880
   Si   O    H 
    32    64    10
Direct configuration=     8
   0.15546481  0.17821386  0.01393043
   0.40687964  0.08907823  0.37922006
   0.12978971  0.42176490  0.14445911
   0.38255274  0.32824323  0.25535211
   0.16203154  0.17967442  0.50528332
   0.40680807  0.07922635  0.87745174
   0.10210726  0.43500756  0.62890397
   0.34830353  0.34053711  0.74974283
   0.15295745  0.66055063  0.00835145
   0.42829115  0.56705099  0.38435808
   0.06595812  0.90798889  0.14073520
   0.33663724  0.82675727  0.25410480
   0.15320980  0.67045244  0.48298437
   0.40053445  0.58058091  0.88769100
   0.06915835  0.91275423  0.61094523
   0.33589257  0.91560876  0.70943377
   0.65777857  0.16597168  0.99281784
   0.90593708  0.08550455  0.37897131
   0.62658431  0.41250448  0.11543041
   0.86071963  0.26902128  0.20333263
   0.65807116  0.18103353  0.50452711
   0.90856365  0.07490297  0.87857737
   0.59407027  0.42988954  0.62994806
   0.83566300  0.33353340  0.76534332
   0.65369706  0.67606488  0.00992366
   0.87958809  0.58688309  0.38914563
   0.58605450  0.93317758  0.13434927
   0.82543038  0.82383850  0.25300661
   0.63977998  0.69082640  0.49410619
   0.91388961  0.58409638  0.88693588
   0.59782470  0.93864426  0.63725470
   0.83797347  0.82835875  0.74820298
   0.06335671  0.09163708  0.09840971
   0.31825044  0.17971077  0.28974671
   0.19720129  0.34712271  0.04421819
   0.44080551  0.40655347  0.35187942
   0.50938479  0.32049813  0.17569693
   0.27735656  0.44389248  0.20603505
   0.32895961  0.08116311  0.48464970
   0.06000314  0.16459176  0.39609584
   0.06977695  0.09515332  0.59489274
   0.29382160  0.18940856  0.79585983
   0.20105356  0.34522918  0.53880262
   0.44021670  0.40753864  0.84394117
   0.45066940  0.33983188  0.64500059
   0.18970370  0.42750208  0.72861337
   0.31289386  0.07818737 -0.01193641
   0.06570104  0.16365857  0.90409966
   0.06092696  0.56756147  0.09991452
   0.32463817  0.65652626  0.28490132
   0.17926425  0.84145764  0.05287070
   0.42630335  0.91892643  0.33936868
   0.42498499  0.84265800  0.13648271
   0.16399022  0.90846530  0.25153938
   0.32278449  0.61500734  0.48704856
   0.06279537  0.63816046  0.38193822
   0.05670850  0.60428964  0.57884555
   0.30635402  0.63792457  0.80161841
   0.13177558  0.84208830  0.51045983
   0.39365849  0.92523067  0.83340761
   0.45288102  0.84532096  0.64385038
   0.18461659  0.86246596  0.69963137
   0.30615545  0.58428475 -0.01130336
   0.05711720  0.66575825  0.90592433
   0.57013486  0.09818494  0.09023058
   0.81258266  0.14879228  0.28755868
   0.68137811  0.34578422  0.01874636
   0.85146725  0.42041879  0.39165244
   0.04541123  0.31665178  0.21701303
   0.75695119  0.41016911  0.20659772
   0.80911082  0.09015663  0.48851371
   0.57289559  0.16085856  0.39591252
   0.57044683  0.10426045  0.59136151
   0.82577903  0.16588562  0.79428662
   0.69958979  0.34874354  0.52906116
   0.94368858  0.41321531  0.83911211
   0.95739477  0.33257283  0.62665665
   0.68527552  0.43263356  0.73479795
   0.81896873  0.08404430  0.97788442
   0.56747589  0.14335229  0.89001701
   0.56567288  0.57113862  0.09486126
   0.80183540  0.65810207  0.29335738
   0.67874810  0.83112393  0.04481609
   0.93212224  0.90045596  0.34777846
   0.92287611  0.82491298  0.14963581
   0.67787282  0.91917457  0.24103208
   0.80266341  0.65235224  0.49738033
   0.57325196  0.65257091  0.39014178
   0.55361206  0.60002439  0.58600881
   0.80736011  0.67268619  0.79699079
   0.61614439  0.86863676  0.49161607
   0.94609586  0.89732127  0.82669958
   0.90944172  0.84499608  0.63118418
   0.70355663  0.93021183  0.74942375
   0.81777701  0.58656676  0.99548124
   0.54754847  0.66577758  0.90359914
   0.72996306  0.92389700  0.62663072
   0.68436258  0.91887768  0.45343205
   0.83573760  0.20205874  0.11566244
   0.79287693  0.39530516  0.30556448
   0.37067781  0.04572509  0.67436456
   0.20070286  0.62658871  0.80728878
   0.15570190  0.75430627  0.30882968
   0.29079115  0.86734907  0.03356700
   0.67627042  0.26378211  0.64506989
   0.91299250  0.31618592  0.55065283
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910458   -0.001000   -0.019722
    -0.000000    9.920843   -0.007411
    -0.000000   -0.000000   13.827729
   Si   O    H 
    32    64    10
Direct configuration=     9
   0.15545504  0.17886070  0.01467443
   0.40736031  0.08905872  0.37884867
   0.13075977  0.42085910  0.14448900
   0.38235693  0.32883535  0.25494140
   0.16172312  0.18021347  0.50501927
   0.40695771  0.07962061  0.87743118
   0.10286901  0.43556076  0.62843753
   0.34910467  0.34090814  0.74863461
   0.15357366  0.65852963  0.00746545
   0.42803500  0.56673254  0.38641164
   0.06476364  0.90692476  0.14242949
   0.33790914  0.82712530  0.25432740
   0.15406873  0.67129119  0.48235628
   0.40128043  0.58059966  0.88751125
   0.06921027  0.91356909  0.61166385
   0.33679806  0.91511143  0.70994562
   0.65699688  0.16712002  0.99263122
   0.90583776  0.08590365  0.37867843
   0.62643637  0.41311189  0.11547429
   0.85961272  0.26907129  0.20473150
   0.65841193  0.18039831  0.50497868
   0.90964640  0.07390341  0.87879507
   0.59415027  0.43002906  0.63080074
   0.83397207  0.33355737  0.76681616
   0.65361754  0.67623307  0.01000561
   0.87818175  0.58835014  0.38904802
   0.58579851  0.93306970  0.13445402
   0.82554932  0.82386024  0.25326407
   0.63945021  0.69055093  0.49483140
   0.91368838  0.58489812  0.88731766
   0.59650860  0.93865285  0.63770859
   0.83880155  0.82795559  0.74880557
   0.06631292  0.08932489  0.09720725
   0.32243403  0.18070524  0.29048918
   0.19463516  0.34587765  0.04556776
   0.43685565  0.40861802  0.35081591
   0.50996078  0.32713132  0.17784053
   0.27732922  0.43736495  0.20450854
   0.32891344  0.08448430  0.48266425
   0.05805477  0.16288206  0.39867930
   0.07274412  0.09176267  0.59233655
   0.29912287  0.19277310  0.79628405
   0.19850919  0.34315321  0.53972044
   0.43776412  0.40920575  0.84242679
   0.45083534  0.34504957  0.64743360
   0.19044636  0.42366546  0.72605213
   0.31023313  0.08044637 -0.01571168
   0.06377955  0.16185719  0.90823834
   0.06571127  0.56502992  0.09889663
   0.32794733  0.66014497  0.28705961
   0.17665490  0.83947951  0.05303841
   0.42227511  0.92200726  0.33945319
   0.42820723  0.84391283  0.13873614
   0.16518124  0.90631587  0.24959018
   0.32103656  0.61678524  0.48549483
   0.05960527  0.64090687  0.38338786
   0.05997809  0.60070073  0.57830049
   0.30916635  0.63681833  0.80308533
   0.13040057  0.84031974  0.51312957
   0.39179261  0.92880309  0.83266233
   0.45313323  0.84627209  0.64591810
   0.18707773  0.86532455  0.69670195
   0.30352790  0.58708728 -0.01345047
   0.05736647  0.66351141  0.90903331
   0.57310841  0.09549070  0.08897589
   0.81695840  0.15020801  0.28822456
   0.67835170  0.34288908  0.01957241
   0.85080692  0.42431976  0.39238681
   0.04346308  0.32036771  0.21441070
   0.75586221  0.40696904  0.20597220
   0.80718960  0.09348798  0.48601315
   0.57158472  0.15879369  0.39767819
   0.57375212  0.10096972  0.58889852
   0.82947635  0.16774968  0.79537605
   0.69575435  0.34677185  0.52821348
   0.94076807  0.41536363  0.83769955
   0.96019451  0.33486898  0.62616156
   0.68660669  0.43271370  0.73379757
   0.81814715  0.08689132  0.97644596
   0.56742954  0.14218440  0.89359582
   0.56986463  0.56848625  0.09364583
   0.80503220  0.66023284  0.29388935
   0.67562673  0.82768587  0.04564438
   0.92808962  0.90331263  0.34719291
   0.92328841  0.82625378  0.15174305
   0.68074693  0.91683486  0.23745434
   0.80021671  0.65041991  0.49591277
   0.57146983  0.65074669  0.39313215
   0.55841562  0.59886938  0.58560363
   0.81172358  0.67384013  0.79938680
   0.61769136  0.86547702  0.49027972
   0.94358879  0.89931853  0.82679863
   0.91254421  0.84705690  0.63333470
   0.70432225  0.92933932  0.74949678
   0.81656404  0.58901726  0.99338707
   0.54459632  0.66285683  0.90672735
   0.72243634  0.92669544  0.61087230
   0.69074060  0.91370885  0.44928885
   0.82448054  0.19034957  0.11924163
   0.78283209  0.40631539  0.30503079
   0.36752695  0.04969625  0.67769880
   0.19953285  0.62372130  0.81041294
   0.14168665  0.76230861  0.30201872
   0.28268558  0.86538644  0.02066056
   0.67233023  0.23491537  0.65738041
   0.90496371  0.31640090  0.55836336
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903468   -0.001123   -0.022256
    -0.000000    9.916494   -0.007361
    -0.000000   -0.000000   13.824448
   Si   O    H 
    32    64    10
Direct configuration=    10
   0.15566699  0.17857176  0.01510792
   0.40823819  0.08904734  0.37852283
   0.13159526  0.42023570  0.14439037
   0.38210944  0.32968238  0.25439633
   0.16099082  0.18089726  0.50469370
   0.40669876  0.07958220  0.87754019
   0.10383669  0.43575998  0.62770589
   0.35056133  0.34095576  0.74773405
   0.15406022  0.65671597  0.00718604
   0.42748145  0.56671129  0.38792737
   0.06368112  0.90601207  0.14416184
   0.33912262  0.82702062  0.25483508
   0.15481618  0.67241433  0.48160597
   0.40194174  0.58005067  0.88723615
   0.06870008  0.91497898  0.61181271
   0.33756657  0.91493515  0.71037141
   0.65690111  0.16819691  0.99232577
   0.90540442  0.08590643  0.37894629
   0.62639768  0.41362017  0.11579419
   0.85863021  0.26865347  0.20616187
   0.65872237  0.17977920  0.50538582
   0.91101553  0.07274575  0.87863531
   0.59445541  0.43009784  0.63171225
   0.83214842  0.33343695  0.76759030
   0.65308727  0.67562101  0.00997114
   0.87734743  0.58926737  0.38949671
   0.58504671  0.93293552  0.13469045
   0.82549003  0.82373673  0.25368765
   0.63923224  0.69025695  0.49567798
   0.91297181  0.58582431  0.88769305
   0.59499087  0.93873768  0.63838858
   0.83926271  0.82823551  0.74929463
   0.06928517  0.08719017  0.09626576
   0.32662365  0.18224677  0.29107130
   0.19305701  0.34412189  0.04629647
   0.43328193  0.41133303  0.35026601
   0.51131190  0.33397478  0.18016157
   0.27757715  0.43133150  0.20290430
   0.32858243  0.08809790  0.48059202
   0.05595559  0.16101296  0.40119945
   0.07654281  0.08742148  0.58951502
   0.30542093  0.19539625  0.79674915
   0.19525600  0.34076137  0.54042563
   0.43447884  0.41112011  0.84112237
   0.45243825  0.34989074  0.64954967
   0.19129577  0.42032028  0.72338350
   0.30824800  0.08228426 -0.01889732
   0.06219206  0.15914638  0.91267552
   0.07098099  0.56304329  0.09799653
   0.33135988  0.66344774  0.28842170
   0.17526487  0.83698391  0.05297116
   0.41856408  0.92469176  0.33957391
   0.43138534  0.84570390  0.14108044
   0.16639676  0.90402309  0.24729850
   0.31967663  0.61862008  0.48400252
   0.05683454  0.64298202  0.38472807
   0.06426692  0.59704976  0.57794209
   0.31063660  0.63610602  0.80369853
   0.12957100  0.83918000  0.51536314
   0.39064510  0.93246507  0.83164781
   0.45481262  0.84756868  0.64801530
   0.18892018  0.86805732  0.69410105
   0.30115311  0.58931672 -0.01532305
   0.05780604  0.66143646  0.91244472
   0.57620201  0.09155181  0.08849542
   0.82105420  0.15281535  0.28887416
   0.67521113  0.33783897  0.01979400
   0.85014178  0.42946781  0.39205136
   0.04150665  0.32338480  0.21184102
   0.75532847  0.40474372  0.20520465
   0.80560873  0.09625020  0.48270597
   0.56987830  0.15761205  0.39949340
   0.57614386  0.09905360  0.58679742
   0.83337490  0.16937634  0.79683915
   0.69142404  0.34459150  0.52745092
   0.93785367  0.41830013  0.83637563
   0.96304262  0.33687795  0.62537335
   0.68823056  0.43382279  0.73298526
   0.81665768  0.08957993  0.97511573
   0.56634296  0.14141507  0.89644195
   0.57444082  0.56621282  0.09218594
   0.80767365  0.66304774  0.29414043
   0.67200103  0.82482232  0.04668201
   0.92485644  0.90601176  0.34708057
   0.92352396  0.82695025  0.15346452
   0.68330627  0.91508162  0.23401926
   0.79810662  0.64810892  0.49430637
   0.56982307  0.64938340  0.39630199
   0.56354091  0.59726038  0.58538147
   0.81619217  0.67478348  0.80151598
   0.61915877  0.86161928  0.48911356
   0.94178722  0.90142197  0.82741346
   0.91566555  0.84928487  0.63571268
   0.70397796  0.92780898  0.74923334
   0.81482375  0.59147744  0.99081121
   0.54208693  0.66026765  0.91011327
   0.72923452  0.92647938  0.59020808
   0.69089230  0.90420123  0.44894739
   0.81503050  0.18312682  0.12351022
   0.77976684  0.42157188  0.30929047
   0.36382448  0.05542754  0.67921983
   0.21389729  0.62542354  0.81250424
   0.12715879  0.77196840  0.29807135
   0.26895444  0.86974982  0.01292412
   0.67494551  0.20896606  0.67133607
   0.89840533  0.32295479  0.57209806
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895874   -0.001379   -0.024466
    -0.000000    9.911783   -0.007147
    -0.000000   -0.000000   13.820600
   Si   O    H 
    32    64    10
Direct configuration=    11
   0.15588397  0.17780907  0.01528641
   0.40886761  0.08866274  0.37791009
   0.13234935  0.41944302  0.14417440
   0.38177747  0.33022874  0.25362438
   0.16006100  0.18168373  0.50443004
   0.40675484  0.08039207  0.87735527
   0.10413039  0.43610344  0.62684827
   0.35227939  0.34077369  0.74741380
   0.15473002  0.65524009  0.00717934
   0.42677395  0.56736352  0.38904343
   0.06312179  0.90539431  0.14591391
   0.34039108  0.82703304  0.25506094
   0.15555524  0.67428273  0.48060634
   0.40215718  0.57897721  0.88695212
   0.06806808  0.91654760  0.61204182
   0.33820621  0.91503567  0.71093842
   0.65710225  0.16940306  0.99253336
   0.90497700  0.08575649  0.37973188
   0.62568205  0.41414608  0.11605695
   0.85789555  0.26767066  0.20713232
   0.65874688  0.17886967  0.50613157
   0.91213058  0.07185444  0.87835941
   0.59520346  0.43043000  0.63272202
   0.82965471  0.33305593  0.76807901
   0.65276873  0.67443942  0.00962071
   0.87675354  0.59021423  0.39020296
   0.58467304  0.93190639  0.13490006
   0.82546788  0.82321591  0.25401488
   0.63986308  0.69013719  0.49686962
   0.91213163  0.58597735  0.88821878
   0.59439227  0.93925658  0.63899667
   0.83966545  0.82868857  0.74947702
   0.07156938  0.08464527  0.09616010
   0.33102660  0.18330133  0.29190648
   0.19092235  0.34096330  0.04720873
   0.43078854  0.41406917  0.34999905
   0.51205995  0.33978946  0.18177878
   0.27705240  0.42576516  0.20162172
   0.32674483  0.09081294  0.47859891
   0.05355170  0.15957982  0.40383806
   0.08033382  0.08262927  0.58677537
   0.31157884  0.19807324  0.79727638
   0.19203565  0.33853965  0.54129067
   0.43180727  0.41329683  0.84007554
   0.45317789  0.35414820  0.65195528
   0.19223644  0.41729403  0.72131730
   0.30675984  0.08472447 -0.02141097
   0.05986871  0.15611512  0.91626756
   0.07577778  0.56159411  0.09694939
   0.33521333  0.66654619  0.29022610
   0.17429703  0.83435567  0.05262672
   0.41501019  0.92754836  0.33947310
   0.43447630  0.84781484  0.14341607
   0.16684289  0.90208152  0.24515699
   0.31823059  0.62076211  0.48235885
   0.05449188  0.64460513  0.38575304
   0.06878390  0.59375545  0.57784270
   0.31212093  0.63555668  0.80397828
   0.12920605  0.83693492  0.51655785
   0.38976371  0.93572864  0.83063026
   0.45671450  0.84867671  0.64974445
   0.18914299  0.87074129  0.69176610
   0.29889614  0.59156090 -0.01763062
   0.05833208  0.65924112  0.91535528
   0.57954315  0.08753345  0.08822250
   0.82460222  0.15639877  0.28921162
   0.67257432  0.33259137  0.01997143
   0.84881766  0.43438830  0.39111630
   0.03908706  0.32572532  0.20984892
   0.75513410  0.40260700  0.20431793
   0.80514201  0.09755883  0.47944997
   0.56832486  0.15610357  0.40139053
   0.57749083  0.09655343  0.58436508
   0.83697253  0.17144123  0.79855177
   0.68585066  0.34257471  0.52728064
   0.93446866  0.42205909  0.83526115
   0.96554787  0.33905396  0.62496940
   0.69013556  0.43537931  0.73203101
   0.81459353  0.09222634  0.97485690
   0.56445980  0.14009836  0.89896252
   0.57878767  0.56368490  0.09106307
   0.81011785  0.66652876  0.29430086
   0.66794713  0.82343835  0.04751100
   0.92090805  0.90815282  0.34664208
   0.92339563  0.82744589  0.15515667
   0.68519504  0.91295392  0.23063889
   0.79581871  0.64618685  0.49274699
   0.56756696  0.64713277  0.39900257
   0.56904910  0.59476180  0.58556934
   0.82070851  0.67434390  0.80357383
   0.62001536  0.85688850  0.48689876
   0.94114080  0.90388937  0.82862229
   0.91897163  0.85044607  0.63788279
   0.70310004  0.92656379  0.74875693
   0.81321695  0.59467673  0.98832769
   0.54085015  0.65808985  0.91295722
   0.73286495  0.92547091  0.57408230
   0.68805020  0.89289219  0.45021426
   0.80695489  0.17967576  0.12758900
   0.78215089  0.43879260  0.32014314
   0.35892177  0.05906705  0.67944843
   0.22780793  0.62737327  0.81520634
   0.11631934  0.78271688  0.29393957
   0.25030419  0.87660794  0.00686542
   0.68167291  0.18737988  0.68580230
   0.89074627  0.32985836  0.58474022
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888301   -0.001615   -0.026241
    -0.000000    9.906952   -0.006687
    -0.000000   -0.000000   13.817240
   Si   O    H 
    32    64    10
Direct configuration=    12
   0.15586727  0.17704565  0.01526899
   0.40985117  0.08806136  0.37724049
   0.13302251  0.41898616  0.14383350
   0.38135620  0.33030707  0.25283173
   0.15981461  0.18114980  0.50426981
   0.40644374  0.08196578  0.87741514
   0.10430273  0.43670346  0.62548438
   0.35320638  0.34048398  0.74707105
   0.15553729  0.65386843  0.00742858
   0.42576460  0.56841326  0.38967658
   0.06311845  0.90586619  0.14772952
   0.34178208  0.82687566  0.25520000
   0.15612214  0.67655320  0.47936442
   0.40226658  0.57739889  0.88670546
   0.06796699  0.91736287  0.61226693
   0.33863161  0.91555497  0.71162847
   0.65716710  0.17003658  0.99261717
   0.90449998  0.08549906  0.38078752
   0.62566440  0.41508907  0.11654686
   0.85718151  0.26650666  0.20787644
   0.65904161  0.17838397  0.50644586
   0.91270123  0.07087095  0.87840476
   0.59606754  0.43098963  0.63327888
   0.82658944  0.33273051  0.76783221
   0.65235438  0.67261685  0.00931877
   0.87577183  0.59151840  0.39160874
   0.58457308  0.93082552  0.13479721
   0.82589466  0.82343056  0.25478197
   0.63982796  0.69010203  0.49817502
   0.91090070  0.58645117  0.88866976
   0.59489844  0.94034520  0.63961886
   0.84019962  0.82928264  0.74997640
   0.07424581  0.08234061  0.09580905
   0.33470029  0.18411571  0.29283749
   0.18893179  0.33628555  0.04769348
   0.42839229  0.41660803  0.35007701
   0.51294045  0.34469343  0.18364385
   0.27595985  0.42138273  0.20046128
   0.32447333  0.09346202  0.47739017
   0.05220622  0.15831226  0.40694893
   0.08357291  0.07752949  0.58406010
   0.31728861  0.19943837  0.79780204
   0.18929488  0.33580423  0.54172727
   0.42915564  0.41495879  0.83939171
   0.45431739  0.35781109  0.65421566
   0.19402443  0.41541326  0.71907997
   0.30521082  0.08728412 -0.02403733
   0.05750356  0.15272768  0.91902216
   0.08035042  0.56059981  0.09609184
   0.33847740  0.67014084  0.29188957
   0.17354579  0.83163118  0.05181945
   0.41113919  0.93015641  0.33923222
   0.43716848  0.85021286  0.14626069
   0.16755866  0.89983590  0.24341206
   0.31689422  0.62318087  0.48010166
   0.05150080  0.64626356  0.38616957
   0.07347876  0.59057599  0.57757741
   0.31504407  0.63558340  0.80366480
   0.12956676  0.83547546  0.51703834
   0.38923067  0.93907424  0.82992291
   0.45899551  0.84941129  0.65081269
   0.18828648  0.87325970  0.68990556
   0.29718430  0.59336611 -0.01920961
   0.05976071  0.65657795  0.91727580
   0.58292074  0.08281227  0.08824968
   0.82744360  0.15991065  0.28985922
   0.67125343  0.32778321  0.02012284
   0.84761031  0.43886116  0.38947422
   0.03569101  0.32738719  0.20821552
   0.75514432  0.40040664  0.20337777
   0.80500149  0.09825724  0.47610621
   0.56675564  0.15430346  0.40367239
   0.57819992  0.09341522  0.58286121
   0.84009636  0.17417755  0.79985007
   0.67987899  0.34133732  0.52756309
   0.93237382  0.42609042  0.83491343
   0.96844188  0.34134225  0.62554554
   0.69195206  0.43694142  0.73097611
   0.81276573  0.09494355  0.97524962
   0.56202672  0.13898370  0.90054365
   0.58351105  0.56170879  0.09046446
   0.81254128  0.66982686  0.29390279
   0.66309375  0.82317975  0.04826496
   0.91762208  0.91037132  0.34658617
   0.92413681  0.82802475  0.15631017
   0.68735199  0.91071037  0.22811092
   0.79344628  0.64434768  0.49123637
   0.56584545  0.64427308  0.40143431
   0.57427483  0.59234693  0.58530908
   0.82522317  0.67494574  0.80544212
   0.61943274  0.85170119  0.48527986
   0.94017288  0.90756954  0.82987479
   0.92178815  0.85227327  0.64036866
   0.70196234  0.92600393  0.74787151
   0.81178499  0.59757966  0.98582134
   0.54040981  0.65527835  0.91546231
   0.73335783  0.92618680  0.56987039
   0.69343719  0.88540455  0.44683147
   0.80040004  0.17541681  0.13100072
   0.78900545  0.45045806  0.33621800
   0.35086562  0.06055383  0.67921706
   0.20790168  0.62336075  0.82113097
   0.10891722  0.79416599  0.29012730
   0.22938862  0.88310784  0.00614600
   0.69089576  0.16914992  0.69999763
   0.88023319  0.33871037  0.58911854
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880787   -0.001879   -0.028298
    -0.000000    9.902418   -0.006396
    -0.000000   -0.000000   13.813978
   Si   O    H 
    32    64    10
Direct configuration=    13
   0.15593948  0.17613184  0.01523064
   0.41094167  0.08756931  0.37675119
   0.13392786  0.41823556  0.14360228
   0.38111007  0.33053226  0.25218334
   0.15928686  0.18006912  0.50425709
   0.40569488  0.08435774  0.87735482
   0.10411641  0.43666583  0.62400567
   0.35415078  0.34045826  0.74685113
   0.15616268  0.65239184  0.00775322
   0.42578574  0.56935186  0.38973669
   0.06357709  0.90620343  0.14941910
   0.34341323  0.82621244  0.25550022
   0.15719019  0.67838076  0.47888064
   0.40224722  0.57623931  0.88656130
   0.06871671  0.91837882  0.61257630
   0.33896545  0.91640587  0.71229074
   0.65705633  0.17001489  0.99257853
   0.90365188  0.08561585  0.38177152
   0.62590200  0.41499189  0.11784049
   0.85724044  0.26574762  0.20853072
   0.65987223  0.17845638  0.50627146
   0.91358735  0.07008831  0.87857238
   0.59639399  0.43202393  0.63340381
   0.82404633  0.33230966  0.76767388
   0.65227771  0.67066967  0.00950297
   0.87581035  0.59307609  0.39315633
   0.58461150  0.92939479  0.13470697
   0.82752528  0.82362240  0.25564180
   0.63972927  0.68991682  0.49909320
   0.90958534  0.58703318  0.88890882
   0.59533968  0.94108520  0.63988673
   0.84046281  0.82970968  0.75023877
   0.07615011  0.08046706  0.09550271
   0.33768118  0.18458904  0.29350286
   0.18691545  0.33166650  0.04720907
   0.42626464  0.41847626  0.35045077
   0.51285761  0.34887672  0.18485175
   0.27448453  0.41808349  0.19966896
   0.32144989  0.09716891  0.47667038
   0.05148210  0.15709268  0.41002788
   0.08669675  0.07263070  0.58188894
   0.32295769  0.20043340  0.79893870
   0.18537357  0.33353780  0.54204930
   0.42710002  0.41670190  0.83915859
   0.45463065  0.36148443  0.65579954
   0.19665311  0.41391398  0.71731673
   0.30353069  0.08998102 -0.02613413
   0.05374701  0.14916004  0.92133706
   0.08508261  0.55918786  0.09491532
   0.34152195  0.67302284  0.29319277
   0.17211587  0.82812683  0.05212077
   0.40693348  0.93256887  0.33839018
   0.43932175  0.85230830  0.14900359
   0.16786306  0.89867061  0.24162213
   0.31584057  0.62500454  0.47775549
   0.04826930  0.64719863  0.38660965
   0.07868524  0.58692878  0.57745870
   0.31657088  0.63551841  0.80244228
   0.13016570  0.83425254  0.51711362
   0.38822363  0.94181617  0.82902853
   0.46059854  0.85004450  0.65100073
   0.18745466  0.87539393  0.68811350
   0.29646364  0.59447640 -0.02072861
   0.06117254  0.65399031  0.91910521
   0.58585333  0.07843304  0.08778877
   0.83050374  0.16302270  0.29069801
   0.67051378  0.32264251  0.02080518
   0.84828718  0.44259018  0.38809990
   0.03069008  0.32878204  0.20658022
   0.75507918  0.39896424  0.20226812
   0.80498968  0.09843380  0.47319024
   0.56506928  0.15230288  0.40567651
   0.57816529  0.09009778  0.58176734
   0.84317432  0.17668101  0.80064806
   0.67340402  0.34028239  0.52842538
   0.92971540  0.42957884  0.83444398
   0.97069960  0.34303154  0.62635437
   0.69357222  0.43857876  0.73040957
   0.81074543  0.09695227  0.97517912
   0.55919779  0.13796626  0.90230616
   0.58786118  0.56106375  0.08994907
   0.81397703  0.67241987  0.29343548
   0.65780851  0.82238923  0.04865402
   0.91354613  0.91337964  0.34640734
   0.92450616  0.82972281  0.15712119
   0.68856982  0.90902956  0.22498646
   0.79172278  0.64328912  0.48989171
   0.56402534  0.64142577  0.40368528
   0.57921535  0.59081849  0.58512304
   0.83021476  0.67646406  0.80805139
   0.61817327  0.84619687  0.48358743
   0.93804339  0.91198913  0.83100265
   0.92376710  0.85379291  0.64350181
   0.70171949  0.92614194  0.74693037
   0.80976247  0.60024033  0.98335612
   0.54085715  0.65281140  0.91763515
   0.73101794  0.92948325  0.57615539
   0.70204392  0.88335636  0.44281876
   0.79623510  0.17585597  0.13399329
   0.77921052  0.45610080  0.33438389
   0.34304106  0.05472076  0.67788612
   0.20563789  0.62424232  0.82584302
   0.10297397  0.81246707  0.28444721
   0.21404943  0.88970463  0.00567442
   0.70246016  0.15858389  0.71053644
   0.87183156  0.35113502  0.59490932
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873397   -0.002100   -0.030400
    -0.000000    9.898334   -0.005885
    -0.000000   -0.000000   13.810894
   Si   O    H 
    32    64    10
Direct configuration=    14
   0.15644282  0.17517162  0.01499941
   0.41217378  0.08785192  0.37640240
   0.13481292  0.41749991  0.14326955
   0.38078048  0.33109199  0.25190897
   0.15875722  0.17988332  0.50393487
   0.40497836  0.08726958  0.87727035
   0.10403526  0.43651139  0.62250435
   0.35511126  0.34134487  0.74699942
   0.15631582  0.65150731  0.00785630
   0.42543524  0.57089250  0.38977093
   0.06444868  0.90736139  0.15041925
   0.34488915  0.82577372  0.25602678
   0.15767322  0.68039640  0.47893931
   0.40303042  0.57467661  0.88641189
   0.06886368  0.91877776  0.61273667
   0.33880195  0.91799303  0.71284304
   0.65707466  0.16961632  0.99259006
   0.90309289  0.08596309  0.38303888
   0.62580443  0.41489601  0.11925667
   0.85733226  0.26508297  0.20872601
   0.66083776  0.17819504  0.50573129
   0.91433344  0.06944369  0.87908819
   0.59609565  0.43294249  0.63349252
   0.82139334  0.33198334  0.76692522
   0.65220265  0.66812047  0.00965608
   0.87596407  0.59545018  0.39468723
   0.58528597  0.92783894  0.13415593
   0.82898783  0.82453441  0.25646177
   0.63990079  0.68886025  0.50003964
   0.90884413  0.58776063  0.88925182
   0.59603584  0.94155430  0.63968507
   0.84114307  0.83058242  0.75043632
   0.07852306  0.07812405  0.09497757
   0.34027816  0.18444817  0.29383031
   0.18531947  0.32665081  0.04673868
   0.42400817  0.42127829  0.35083088
   0.51306006  0.35307998  0.18526787
   0.27236889  0.41509044  0.19892532
   0.31779811  0.10091877  0.47607692
   0.05102766  0.15632158  0.41241128
   0.08990073  0.06871231  0.57966970
   0.32836018  0.20017025  0.80033644
   0.18141748  0.33136211  0.54212272
   0.42509797  0.41977128  0.83999576
   0.45562649  0.36498261  0.65735774
   0.19923061  0.41264828  0.71639807
   0.30256466  0.09231957 -0.02742313
   0.05018109  0.14512296  0.92335180
   0.08871674  0.55734198  0.09387946
   0.34505408  0.67567206  0.29476803
   0.17099973  0.82361397  0.05262760
   0.40352838  0.93460346  0.33775391
   0.44075917  0.85305545  0.15181795
   0.16879434  0.89646737  0.24005571
   0.31362938  0.62701627  0.47524035
   0.04470774  0.64772101  0.38714355
   0.08403343  0.58324156  0.57727018
   0.31598945  0.63624708  0.80129942
   0.13080542  0.83306373  0.51743936
   0.38713044  0.94307591  0.82799481
   0.46169563  0.85000211  0.65114006
   0.18660242  0.87732113  0.68647001
   0.29654867  0.59590861 -0.02168471
   0.06257398  0.65130687  0.92050213
   0.58863139  0.07472149  0.08729536
   0.83259838  0.16607588  0.29178960
   0.67048505  0.31867409  0.02215182
   0.84959062  0.44573006  0.38680912
   0.02516177  0.32974660  0.20479378
   0.75444690  0.39759739  0.20127318
   0.80423533  0.09895608  0.47031414
   0.56320252  0.15048134  0.40732600
   0.57819906  0.08691718  0.58132363
   0.84677110  0.17912652  0.80170298
   0.66675536  0.33883211  0.52938421
   0.92670998  0.43331436  0.83413481
   0.97130891  0.34417720  0.62739410
   0.69534437  0.44004308  0.72994853
   0.80886977  0.09861165  0.97514891
   0.55680515  0.13636161  0.90353853
   0.59084584  0.56082335  0.08981007
   0.81483767  0.67460283  0.29278132
   0.65280822  0.82178102  0.04925488
   0.90894182  0.91684760  0.34623290
   0.92507488  0.83131813  0.15808672
   0.68896862  0.90737652  0.22187090
   0.79003008  0.64244511  0.48898040
   0.56241885  0.63818128  0.40559009
   0.58429821  0.58918835  0.58510475
   0.83490299  0.67839532  0.80980243
   0.61647455  0.84106471  0.48172397
   0.93577803  0.91688231  0.83157048
   0.92572805  0.85455791  0.64623698
   0.70154510  0.92613897  0.74605906
   0.80715192  0.60289969  0.98141304
   0.54224410  0.65008368  0.91974075
   0.72388989  0.93078790  0.59013636
   0.69755954  0.88259200  0.44575263
   0.79719629  0.17953942  0.13768826
   0.76259230  0.45949345  0.32413973
   0.33716220  0.04793728  0.67723364
   0.22175055  0.62836854  0.82608632
   0.10468154  0.84124547  0.27643336
   0.20012990  0.90213783  0.00650882
   0.70852009  0.15430097  0.71529258
   0.87217834  0.36075191  0.60695488
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866148   -0.002316   -0.032914
    -0.000000    9.894315   -0.005394
    -0.000000   -0.000000   13.807679
   Si   O    H 
    32    64    10
Direct configuration=    15
   0.15728483  0.17389614  0.01469674
   0.41363734  0.08823556  0.37645664
   0.13559000  0.41597215  0.14285053
   0.38124558  0.33118672  0.25166502
   0.15818557  0.17919847  0.50339758
   0.40404567  0.09079346  0.87762241
   0.10395378  0.43629113  0.62143904
   0.35586384  0.34221857  0.74737345
   0.15628234  0.65091021  0.00837343
   0.42457319  0.57292026  0.38967840
   0.06515239  0.90837434  0.15103405
   0.34612142  0.82575944  0.25672222
   0.15756045  0.68237330  0.47909202
   0.40427215  0.57398156  0.88624065
   0.06968442  0.91887455  0.61281697
   0.33842261  0.91961614  0.71343204
   0.65716375  0.16831820  0.99247970
   0.90341345  0.08679278  0.38338733
   0.62622533  0.41407885  0.12056958
   0.85825870  0.26518998  0.20872784
   0.66136870  0.17761377  0.50473388
   0.91437125  0.06882665  0.88002483
   0.59629246  0.43358911  0.63319599
   0.81885121  0.33238966  0.76616790
   0.65174879  0.66550766  0.00955944
   0.87701271  0.59836596  0.39585629
   0.58590522  0.92597260  0.13311291
   0.82975153  0.82614236  0.25774018
   0.63957602  0.68775291  0.50088086
   0.90807549  0.58838398  0.88956609
   0.59738371  0.94320409  0.63976546
   0.84152954  0.83181167  0.75083632
   0.08020875  0.07507077  0.09499903
   0.34252705  0.18383711  0.29410339
   0.18432266  0.32217766  0.04563895
   0.42166510  0.42337245  0.35120466
   0.51294398  0.35621104  0.18575913
   0.27090474  0.41290438  0.19875810
   0.31395353  0.10410222  0.47584576
   0.05012837  0.15513859  0.41461251
   0.09336776  0.06666517  0.57776159
   0.33256990  0.19977414  0.80182870
   0.17714500  0.32936745  0.54139722
   0.42220028  0.42256010  0.84072382
   0.45594082  0.36739833  0.65887160
   0.20196127  0.41150748  0.71549078
   0.30235591  0.09365981 -0.02823017
   0.04681523  0.14132830  0.92530145
   0.09137145  0.55569389  0.09273937
   0.34751103  0.67729046  0.29678052
   0.16933481  0.82082001  0.05279317
   0.39986707  0.93573142  0.33747550
   0.44274114  0.85357038  0.15519593
   0.17042163  0.89608393  0.23784348
   0.31194240  0.62851921  0.47276230
   0.04136229  0.64909328  0.38702794
   0.08857889  0.57982806  0.57657348
   0.31540127  0.63755346  0.79963259
   0.13011209  0.83270847  0.51774940
   0.38666408  0.94367302  0.82641419
   0.46346221  0.84946472  0.65213248
   0.18587127  0.87756031  0.68491051
   0.29762078  0.59593215 -0.02230185
   0.06400570  0.64877486  0.92040386
   0.59170755  0.07213943  0.08665994
   0.83467415  0.16935605  0.29245094
   0.67009470  0.31570570  0.02374852
   0.84985540  0.44784159  0.38529389
   0.01947087  0.32975331  0.20286406
   0.75285232  0.39677268  0.19975861
   0.80291574  0.09972113  0.46771546
   0.56132216  0.14929257  0.40835520
   0.57761692  0.08450442  0.58138704
   0.84992234  0.18103270  0.80278900
   0.66112911  0.33759000  0.53093844
   0.92434480  0.43711124  0.83407673
   0.97157249  0.34528718  0.62817377
   0.69700517  0.44189228  0.72928532
   0.80682826  0.10059954  0.97437089
   0.55432349  0.13484677  0.90458960
   0.59342457  0.56115435  0.08960346
   0.81495179  0.67672389  0.29220874
   0.64895312  0.82154286  0.04983230
   0.90488356  0.91992804  0.34611330
   0.92556152  0.83346413  0.15906115
   0.68844808  0.90615617  0.21900122
   0.78954298  0.64154049  0.48867380
   0.56046751  0.63491422  0.40669069
   0.58811308  0.58727374  0.58515939
   0.83918695  0.68085048  0.81075270
   0.61509281  0.83656937  0.47996640
   0.93362054  0.92231227  0.83230383
   0.92731157  0.85529477  0.64892994
   0.70084370  0.92561208  0.74467292
   0.80371463  0.60503127  0.98021505
   0.54384872  0.64695725  0.92164182
   0.72105708  0.92860496  0.60363692
   0.69128112  0.88191223  0.45208174
   0.79878657  0.18234530  0.13573594
   0.75687737  0.45913437  0.31781524
   0.33380708  0.04768199  0.67553207
   0.23303779  0.63398441  0.82721783
   0.10166879  0.86473493  0.27859721
   0.18298638  0.91029560  0.01202682
   0.71524642  0.16052663  0.71480603
   0.87076329  0.37164272  0.61964648
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859160   -0.002372   -0.034789
    -0.000000    9.890586   -0.004630
    -0.000000   -0.000000   13.804344
   Si   O    H 
    32    64    10
Direct configuration=    16
   0.15833709  0.17186156  0.01409820
   0.41477611  0.08889954  0.37684272
   0.13683252  0.41450305  0.14227833
   0.38217228  0.33089495  0.25147969
   0.15773482  0.17756928  0.50307222
   0.40290197  0.09462022  0.87813079
   0.10371694  0.43577778  0.62065700
   0.35613352  0.34314460  0.74799667
   0.15612122  0.64995445  0.00914493
   0.42305608  0.57557614  0.38947811
   0.06603700  0.90969292  0.15124489
   0.34742836  0.82568299  0.25720785
   0.15662377  0.68415823  0.47961810
   0.40605205  0.57245397  0.88593410
   0.07074224  0.91829585  0.61249847
   0.33866724  0.92118523  0.71408679
   0.65772316  0.16580256  0.99239249
   0.90382096  0.08777811  0.38372713
   0.62712992  0.41266065  0.12208774
   0.85922515  0.26577956  0.20857871
   0.66151923  0.17725651  0.50354797
   0.91454411  0.06825020  0.88129371
   0.59668789  0.43380263  0.63225553
   0.81693048  0.33266020  0.76543350
   0.65166249  0.66294526  0.00920456
   0.87824668  0.60131676  0.39677171
   0.58630568  0.92427428  0.13220330
   0.82986670  0.82805842  0.25892476
   0.63949837  0.68608962  0.50153905
   0.90753678  0.58862358  0.88924817
   0.59883968  0.94516387  0.64032200
   0.84258963  0.83380732  0.75141866
   0.08154175  0.07115031  0.09542826
   0.34434170  0.18257397  0.29479377
   0.18336746  0.31807328  0.04515555
   0.42058882  0.42496016  0.35149123
   0.51235072  0.35829335  0.18603226
   0.26888313  0.41116085  0.19882995
   0.31027467  0.10740835  0.47541258
   0.04898217  0.15358174  0.41634434
   0.09617924  0.06601816  0.57604028
   0.33660586  0.19873156  0.80332883
   0.17282232  0.32839110  0.54028052
   0.42023165  0.42607634  0.84153681
   0.45576344  0.37005769  0.65977248
   0.20499502  0.41023664  0.71470757
   0.30161222  0.09492162 -0.02907363
   0.04396393  0.13829293  0.92696949
   0.09378331  0.55456730  0.09244754
   0.34939978  0.67869351  0.29835249
   0.16786825  0.81793770  0.05349076
   0.39642459  0.93664081  0.33747794
   0.44448778  0.85330277  0.15836236
   0.17363890  0.89616834  0.23584003
   0.31063050  0.63002230  0.47050169
   0.03837231  0.65023266  0.38674928
   0.09242049  0.57615442  0.57643372
   0.31687700  0.63938263  0.79767463
   0.12917031  0.83277452  0.51779811
   0.38647993  0.94382960  0.82462290
   0.46482684  0.84861398  0.65294986
   0.18549358  0.87789780  0.68377529
   0.29909686  0.59649385 -0.02212966
   0.06451165  0.64614655  0.91924513
   0.59450176  0.07109606  0.08624948
   0.83651236  0.17138415  0.29355231
   0.67011534  0.31274750  0.02544571
   0.84968477  0.44935069  0.38367717
   0.01453946  0.33095550  0.20112793
   0.75121620  0.39582521  0.19835510
   0.80258453  0.10031978  0.46572146
   0.56047281  0.14737741  0.40915196
   0.57848053  0.08208538  0.58231350
   0.85328647  0.18271421  0.80388857
   0.65517011  0.33671823  0.53307209
   0.92198965  0.44180298  0.83414535
   0.97142510  0.34573644  0.62907030
   0.69856439  0.44363548  0.72830060
   0.80493515  0.10253306  0.97332885
   0.55134184  0.13306947  0.90546047
   0.59610924  0.56240718  0.08943151
   0.81486848  0.67791024  0.29154946
   0.64559921  0.82079200  0.05069409
   0.90106249  0.92364677  0.34606646
   0.92589875  0.83488358  0.15999929
   0.68850818  0.90485371  0.21674037
   0.78948011  0.64082799  0.48850067
   0.55855048  0.63201544  0.40777768
   0.59152159  0.58554621  0.58573265
   0.84326833  0.68459409  0.81105510
   0.61293160  0.83280007  0.47806627
   0.93143303  0.92712913  0.83304145
   0.92922764  0.85485072  0.65127317
   0.69910935  0.92466119  0.74387710
   0.79982730  0.60644579  0.97950327
   0.54537929  0.64496085  0.92306146
   0.72968872  0.92026135  0.60977065
   0.69276384  0.88930285  0.45968494
   0.80533023  0.18641649  0.13174212
   0.76575300  0.45713442  0.31617634
   0.33446540  0.05085071  0.67243147
   0.21463593  0.64433015  0.83444299
   0.08870186  0.88173961  0.29305788
   0.16501161  0.91137043  0.02110119
   0.72103461  0.17455086  0.70988744
   0.86814731  0.37869510  0.63225455
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852286   -0.002622   -0.036085
    -0.000000    9.887063   -0.004001
    -0.000000   -0.000000   13.801068
   Si   O    H 
    32    64    10
Direct configuration=    17
   0.15983528  0.16948309  0.01331251
   0.41558642  0.08990967  0.37761875
   0.13771153  0.41320789  0.14138755
   0.38362330  0.33055243  0.25121360
   0.15759042  0.17556746  0.50268140
   0.40129585  0.09811355  0.87848710
   0.10366708  0.43489289  0.62019300
   0.35611286  0.34458156  0.74829770
   0.15562170  0.64884322  0.00992506
   0.42057739  0.57752931  0.38952183
   0.06736116  0.91127686  0.15092728
   0.34860373  0.82553746  0.25767273
   0.15561462  0.68550760  0.48040508
   0.40752407  0.57061054  0.88561556
   0.07176125  0.91761367  0.61208115
   0.33889139  0.92288553  0.71416662
   0.65778781  0.16261734  0.99243325
   0.90430592  0.08870206  0.38420477
   0.62846637  0.41112452  0.12336212
   0.86007683  0.26651924  0.20793708
   0.66094564  0.17597129  0.50252668
   0.91346646  0.06822000  0.88254542
   0.59734217  0.43376306  0.63144018
   0.81496995  0.33273166  0.76468973
   0.65183550  0.66068224  0.00899065
   0.87958232  0.60453577  0.39758658
   0.58680225  0.92262629  0.13158785
   0.83006331  0.83003676  0.25974368
   0.63876746  0.68402079  0.50190595
   0.90713334  0.58839464  0.88891578
   0.60076303  0.94719866  0.64074011
   0.84372281  0.83579666  0.75208952
   0.08250654  0.06733931  0.09596274
   0.34581318  0.18087149  0.29587831
   0.18331751  0.31514125  0.04528825
   0.41901167  0.42556077  0.35167085
   0.51124976  0.35921365  0.18549892
   0.26744465  0.40960582  0.19970909
   0.30650568  0.10991873  0.47469838
   0.04805321  0.15178634  0.41778556
   0.09871882  0.06582936  0.57571395
   0.34054692  0.19754656  0.80492640
   0.16900107  0.32671869  0.53908275
   0.41871634  0.42950347  0.84240135
   0.45554427  0.37185884  0.66073460
   0.20746506  0.40947514  0.71457765
   0.30145707  0.09546240 -0.02956172
   0.04101018  0.13569642  0.92788941
   0.09636527  0.55373215  0.09276615
   0.35117409  0.68020953  0.29963923
   0.16585929  0.81570145  0.05440208
   0.39397196  0.93694860  0.33747104
   0.44531796  0.85330577  0.16137728
   0.17678319  0.89575353  0.23421025
   0.30898233  0.63011856  0.46853378
   0.03652489  0.65082546  0.38656796
   0.09488625  0.57323837  0.57586801
   0.31677109  0.64098067  0.79608659
   0.12789097  0.83319302  0.51755141
   0.38581253  0.94374246  0.82349980
   0.46620685  0.84806662  0.65380821
   0.18597755  0.87861768  0.68334210
   0.30048792  0.59740925 -0.02210383
   0.06393199  0.64397754  0.91827313
   0.59682438  0.07001873  0.08647467
   0.83825767  0.17290914  0.29470129
   0.66960726  0.31220049  0.02758345
   0.84824803  0.45037553  0.38089469
   0.01029551  0.33150699  0.19864109
   0.75041602  0.39528878  0.19769598
   0.80142649  0.10168322  0.46425424
   0.56023727  0.14583024  0.41004928
   0.57913927  0.08060508  0.58329537
   0.85677060  0.18499275  0.80454850
   0.65001912  0.33610849  0.53495268
   0.91958444  0.44545390  0.83432107
   0.97088429  0.34566537  0.63006765
   0.70063636  0.44576562  0.72728648
   0.80406235  0.10343308  0.97173225
   0.54916940  0.13123872  0.90646278
   0.59818518  0.56399130  0.08968489
   0.81432127  0.67961910  0.29074695
   0.64241765  0.82090530  0.05141522
   0.89818241  0.92683116  0.34568962
   0.92580761  0.83592668  0.16105150
   0.68978355  0.90285467  0.21511478
   0.78980618  0.64058880  0.48893318
   0.55731022  0.63001264  0.40852897
   0.59554242  0.58359674  0.58687898
   0.84659298  0.68915879  0.81092703
   0.61050791  0.83036214  0.47638583
   0.93023447  0.93162293  0.83398004
   0.93146738  0.85439627  0.65327059
   0.69712343  0.92422321  0.74353935
   0.79660492  0.60733628  0.97918236
   0.54684115  0.64374480  0.92447619
   0.74353542  0.91145495  0.61073648
   0.69313759  0.90410956  0.47058467
   0.81325200  0.19473165  0.12559995
   0.78671133  0.45261825  0.31915624
   0.33685883  0.05496419  0.67047459
   0.21035883  0.65624840  0.83687272
   0.08575873  0.89622674  0.30164446
   0.15183865  0.91199324  0.02498579
   0.72617129  0.19805428  0.70001605
   0.86793192  0.38393994  0.64412812
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845740   -0.002785   -0.037835
    -0.000000    9.883832   -0.004161
    -0.000000   -0.000000   13.798342
   Si   O    H 
    32    64    10
Direct configuration=    18
   0.16097698  0.16664792  0.01267039
   0.41528264  0.09090043  0.37858335
   0.13767660  0.41182510  0.14019205
   0.38485269  0.33034198  0.25138470
   0.15679742  0.17302087  0.50180978
   0.39993180  0.10116811  0.87865949
   0.10396469  0.43420563  0.61963221
   0.35571335  0.34596205  0.74898393
   0.15526979  0.64759432  0.01092308
   0.41798899  0.57926528  0.38955707
   0.06866427  0.91294874  0.15049022
   0.34951892  0.82536550  0.25850199
   0.15437602  0.68595884  0.48082818
   0.40844386  0.56899593  0.88511631
   0.07249032  0.91674331  0.61174161
   0.33899322  0.92447183  0.71415981
   0.65734772  0.15922996  0.99326634
   0.90496677  0.08943762  0.38459135
   0.62928198  0.40941520  0.12416487
   0.86119979  0.26698720  0.20753886
   0.66083405  0.17519094  0.50112963
   0.91260210  0.06859753  0.88366373
   0.59852575  0.43354384  0.63066610
   0.81343414  0.33233991  0.76414510
   0.65217014  0.65894943  0.00955722
   0.88017351  0.60764284  0.39757909
   0.58722686  0.92099230  0.13131081
   0.83045380  0.83149992  0.26003043
   0.63798827  0.68187502  0.50251411
   0.90601089  0.58794632  0.88882780
   0.60335947  0.94821039  0.64137625
   0.84516466  0.83812012  0.75267170
   0.08326890  0.06348193  0.09626931
   0.34704693  0.17955806  0.29644532
   0.18269755  0.31327858  0.04567142
   0.41744096  0.42595098  0.35164745
   0.51033222  0.35999453  0.18511938
   0.26624446  0.40942921  0.20037408
   0.30405651  0.11156960  0.47395238
   0.04738829  0.15001275  0.41885171
   0.10092137  0.06598537  0.57584592
   0.34294091  0.19742724  0.80574389
   0.16608799  0.32551347  0.53826880
   0.41715401  0.43186510  0.84276785
   0.45562124  0.37293073  0.66155316
   0.20940609  0.40819494  0.71435631
   0.30098478  0.09597623 -0.02964047
   0.03959244  0.13392309  0.92872472
   0.09887645  0.55389949  0.09357275
   0.35328809  0.68139702  0.30020725
   0.16398772  0.81452822  0.05553972
   0.39150915  0.93805541  0.33800151
   0.44575642  0.85306336  0.16377543
   0.17958503  0.89527928  0.23396853
   0.30683670  0.63014193  0.46687622
   0.03618054  0.65116618  0.38638965
   0.09565140  0.57114059  0.57479683
   0.31581561  0.64269271  0.79460722
   0.12755364  0.83368691  0.51735666
   0.38496982  0.94493946  0.82290332
   0.46733091  0.84801948  0.65424788
   0.18578773  0.87892401  0.68342056
   0.30162778  0.59861258 -0.02217697
   0.06288642  0.64185521  0.91683957
   0.59826908  0.06891248  0.08645409
   0.83950842  0.17480050  0.29577783
   0.66902910  0.31112867  0.03000601
   0.84660758  0.45100458  0.37792624
   0.00612128  0.33218851  0.19632559
   0.74924836  0.39400277  0.19735327
   0.79926293  0.10215942  0.46383644
   0.55951572  0.14590186  0.41045496
   0.57877395  0.07995430  0.58497344
   0.85967663  0.18689163  0.80533051
   0.64476688  0.33586725  0.53699059
   0.91722419  0.44790058  0.83443823
   0.97049766  0.34504326  0.63095010
   0.70220758  0.44772427  0.72578415
   0.80360606  0.10491477  0.97045946
   0.54749366  0.13003512  0.90753471
   0.60057723  0.56519119  0.09022117
   0.81378766  0.68134791  0.29072553
   0.63969555  0.82038184  0.05166747
   0.89542346  0.92942025  0.34612375
   0.92509206  0.83677446  0.16278111
   0.69134382  0.90093465  0.21392164
   0.79099119  0.64064497  0.48945466
   0.55609336  0.62766275  0.40828677
   0.59943557  0.58110297  0.58763228
   0.84948661  0.69300645  0.81081185
   0.60919675  0.82983953  0.47495130
   0.92859124  0.93468081  0.83465754
   0.93369600  0.85362804  0.65547363
   0.69561719  0.92303879  0.74405513
   0.79413090  0.60749638  0.97855044
   0.54862874  0.64297629  0.92539838
   0.75336536  0.90115499  0.60449353
   0.68155631  0.90893720  0.48312577
   0.81846007  0.20506154  0.12044946
   0.80985042  0.44638482  0.32464900
   0.34348288  0.05664972  0.66968576
   0.22499334  0.66456803  0.83334799
   0.08989429  0.90929087  0.30360204
   0.14388965  0.91085635  0.02345976
   0.73078834  0.22333606  0.68755250
   0.87158581  0.38377436  0.64940319
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839599   -0.003326   -0.039205
    -0.000000    9.880867   -0.003871
    -0.000000   -0.000000   13.795512
   Si   O    H 
    32    64    10
Direct configuration=    19
   0.16148379  0.16348236  0.01176027
   0.41468586  0.09139309  0.37961676
   0.13774375  0.41040820  0.13911436
   0.38596358  0.33057421  0.25181950
   0.15620129  0.17052378  0.50083321
   0.39853975  0.10319054  0.87925553
   0.10488140  0.43237259  0.61988756
   0.35509708  0.34717882  0.74988510
   0.15457312  0.64703489  0.01191429
   0.41508852  0.58066955  0.38922066
   0.07032564  0.91424284  0.15002280
   0.35037430  0.82563437  0.25873516
   0.15281759  0.68615717  0.48158661
   0.40941482  0.56801187  0.88441578
   0.07304361  0.91538612  0.61074093
   0.33921554  0.92669676  0.71416308
   0.65689591  0.15603667  0.99409207
   0.90559782  0.08976485  0.38540027
   0.62976413  0.40803735  0.12498036
   0.86232043  0.26775141  0.20733797
   0.66065673  0.17457895  0.49967493
   0.91143283  0.06961686  0.88482100
   0.59973771  0.43342619  0.63006240
   0.81190392  0.33161949  0.76410141
   0.65202802  0.65790238  0.01008161
   0.88050237  0.61058523  0.39707137
   0.58736699  0.91885180  0.13051773
   0.83069102  0.83325839  0.26001220
   0.63677311  0.67984146  0.50340140
   0.90511104  0.58776895  0.88857929
   0.60660200  0.94892041  0.64187644
   0.84615969  0.84084580  0.75324212
   0.08355224  0.06055053  0.09605366
   0.34810265  0.17831136  0.29584061
   0.18220021  0.31294307  0.04607088
   0.41558504  0.42616889  0.35132307
   0.50892947  0.35910311  0.18391137
   0.26535790  0.40937861  0.20151531
   0.30281679  0.11205995  0.47323318
   0.04719470  0.14813091  0.41937929
   0.10209892  0.06584178  0.57676980
   0.34446032  0.19772586  0.80582814
   0.16376224  0.32493983  0.53753716
   0.41549813  0.43359035  0.84304152
   0.45534074  0.37386623  0.66180069
   0.21100320  0.40695599  0.71481360
   0.30087433  0.09605137 -0.02880860
   0.03866559  0.13314473  0.92951281
   0.10163743  0.55438106  0.09451071
   0.35489641  0.68126225  0.30057219
   0.16226744  0.81402519  0.05686242
   0.38864328  0.93865125  0.33852255
   0.44660882  0.85282778  0.16603579
   0.18156049  0.89456253  0.23418814
   0.30490543  0.63025616  0.46560535
   0.03577779  0.65111479  0.38628470
   0.09608425  0.57090784  0.57332661
   0.31359443  0.64463390  0.79347833
   0.12683097  0.83450353  0.51764165
   0.38496890  0.94636130  0.82294421
   0.46910594  0.84801439  0.65459219
   0.18582058  0.87812283  0.68442756
   0.30352496  0.59959266 -0.02187711
   0.06254615  0.63932063  0.91520041
   0.59928804  0.06910371  0.08625920
   0.84080345  0.17655592  0.29626375
   0.66801688  0.31058545  0.03247508
   0.84620408  0.45240092  0.37686586
   0.00297817  0.33359432  0.19428606
   0.74753938  0.39325052  0.19794916
   0.79664451  0.10238726  0.46385225
   0.55893365  0.14595645  0.41075204
   0.57823758  0.08002685  0.58657263
   0.86245957  0.18855370  0.80603187
   0.64032286  0.33594682  0.53857059
   0.91445045  0.45008558  0.83443679
   0.96994808  0.34413451  0.63202400
   0.70379980  0.45024605  0.72460194
   0.80379604  0.10541414  0.96927305
   0.54742397  0.12836435  0.90884654
   0.60200273  0.56604851  0.09127800
   0.81316983  0.68218090  0.29155468
   0.63788402  0.81954232  0.05115158
   0.89263704  0.93166450  0.34620339
   0.92554725  0.83767534  0.16395610
   0.69257578  0.90002078  0.21309705
   0.79215110  0.64062018  0.49010462
   0.55555507  0.62560813  0.40804207
   0.60187696  0.57943458  0.58825611
   0.85214075  0.69644305  0.81071617
   0.60794709  0.82924926  0.47370154
   0.92670376  0.93650095  0.83522202
   0.93656602  0.85317521  0.65761938
   0.69461699  0.92252470  0.74450085
   0.79290996  0.60768008  0.97793013
   0.55072038  0.64182387  0.92589031
   0.75510125  0.89529750  0.60023655
   0.66060481  0.90387519  0.49600961
   0.82289217  0.21763085  0.11472995
   0.81140569  0.43276174  0.29793796
   0.35023920  0.05827164  0.66992349
   0.24575800  0.67099813  0.82661983
   0.09958577  0.91970466  0.30097096
   0.14434536  0.90553655  0.01754161
   0.73870843  0.25107346  0.67600107
   0.87668124  0.38032481  0.64850741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833758   -0.002669   -0.041330
    -0.000000    9.878458   -0.003685
    -0.000000   -0.000000   13.792723
   Si   O    H 
    32    64    10
Direct configuration=    20
   0.16196318  0.15970520  0.01069150
   0.41401664  0.09136537  0.38057764
   0.13707179  0.40911379  0.13807479
   0.38723532  0.33068453  0.25252764
   0.15647528  0.16882953  0.50016740
   0.39744409  0.10470902  0.87953934
   0.10620903  0.42986172  0.62013253
   0.35501068  0.34851380  0.75087005
   0.15372726  0.64683747  0.01269623
   0.41226980  0.58157602  0.38912798
   0.07221833  0.91567347  0.14940881
   0.35107416  0.82640415  0.25831256
   0.15112900  0.68506710  0.48243678
   0.41036082  0.56881634  0.88430934
   0.07378576  0.91402445  0.60927093
   0.33986379  0.92889098  0.71424309
   0.65613087  0.15260019  0.99519373
   0.90623003  0.08972972  0.38572058
   0.62990587  0.40688773  0.12543514
   0.86304420  0.26868449  0.20708677
   0.66006416  0.17473586  0.49861941
   0.91017603  0.07119810  0.88652792
   0.60080336  0.43226225  0.62921067
   0.81112916  0.33032036  0.76408090
   0.65174031  0.65753160  0.01092444
   0.88037573  0.61282100  0.39618299
   0.58804604  0.91648405  0.12952680
   0.83064503  0.83510347  0.25953058
   0.63602197  0.67780331  0.50391089
   0.90457396  0.58831651  0.88820897
   0.60987910  0.94856291  0.64262149
   0.84682775  0.84352229  0.75409492
   0.08325267  0.05804116  0.09555768
   0.34877873  0.17842830  0.29464955
   0.18152438  0.31253733  0.04633706
   0.41351391  0.42604329  0.35053608
   0.50663165  0.35810005  0.18313392
   0.26506708  0.41047594  0.20275338
   0.30188795  0.11230742  0.47232454
   0.04678522  0.14648573  0.41999720
   0.10245853  0.06541603  0.57814954
   0.34618830  0.19975223  0.80455110
   0.16160841  0.32373884  0.53689838
   0.41383187  0.43441596  0.84247780
   0.45490435  0.37513447  0.66135275
   0.21245941  0.40505756  0.71534154
   0.30107265  0.09639420 -0.02793119
   0.03917247  0.13283089  0.93024653
   0.10443750  0.55505649  0.09510970
   0.35670739  0.68008750  0.30147608
   0.15993183  0.81316806  0.05742753
   0.38605544  0.93961684  0.33970715
   0.44749686  0.85259502  0.16767199
   0.18429076  0.89386897  0.23463402
   0.30278574  0.63001681  0.46468738
   0.03613090  0.65139690  0.38619446
   0.09612803  0.57151890  0.57175678
   0.31355159  0.64610896  0.79137101
   0.12671242  0.83409877  0.51760998
   0.38526244  0.94862181  0.82404500
   0.47121235  0.84880509  0.65513940
   0.18645733  0.87671132  0.68568841
   0.30567918  0.60050611 -0.02187467
   0.06174856  0.63640691  0.91367641
   0.59920124  0.06912486  0.08556362
   0.84254934  0.17737388  0.29693471
   0.66661443  0.31082983  0.03499299
   0.84556381  0.45316299  0.37541514
   0.00120134  0.33566594  0.19242751
   0.74713586  0.39244476  0.19880139
   0.79348155  0.10308910  0.46548320
   0.55808397  0.14670380  0.41047469
   0.57833199  0.08080144  0.58788237
   0.86510404  0.19015664  0.80663153
   0.63706081  0.33576894  0.53944389
   0.91192194  0.45062891  0.83418998
   0.96832370  0.34273981  0.63371449
   0.70479640  0.45238158  0.72397593
   0.80311456  0.10457257  0.96861906
   0.54855158  0.12662604  0.91017442
   0.60354813  0.56670107  0.09311384
   0.81146826  0.68285793  0.29320031
   0.63665809  0.81845215  0.04987573
   0.89066593  0.93396029  0.34682476
   0.92626078  0.83780350  0.16452951
   0.69415536  0.89956030  0.21331057
   0.79393694  0.64019342  0.49115375
   0.55697653  0.62362976  0.40808920
   0.60372053  0.57841754  0.58875549
   0.85478860  0.70004724  0.80963896
   0.60669406  0.82901924  0.47248172
   0.92553342  0.93721879  0.83496871
   0.93907501  0.85383728  0.65944439
   0.69467153  0.92272650  0.74513844
   0.79217876  0.60705038  0.97810554
   0.55214984  0.63953915  0.92520435
   0.75133711  0.89394493  0.59345450
   0.64697952  0.90072160  0.50882613
   0.82802917  0.22269338  0.10730340
   0.81335646  0.42183427  0.28089545
   0.35634952  0.06219568  0.67046391
   0.23585342  0.68905658  0.83584281
   0.10773128  0.93673192  0.29853533
   0.14836399  0.89343837  0.01095403
   0.75385452  0.27468588  0.66757808
   0.88368639  0.37877719  0.64247496
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827814   -0.001968   -0.043197
    -0.000000    9.876175   -0.003441
    -0.000000   -0.000000   13.790223
   Si   O    H 
    32    64    10
Direct configuration=    21
   0.16207779  0.15603291  0.00958680
   0.41227402  0.09068448  0.38178268
   0.13621267  0.40705346  0.13721026
   0.38892671  0.33089141  0.25342138
   0.15695335  0.16754005  0.49976085
   0.39694709  0.10463338  0.87971994
   0.10741757  0.42705988  0.62043483
   0.35454200  0.34996656  0.75135391
   0.15300260  0.64770220  0.01341133
   0.40952262  0.58265531  0.38888757
   0.07343876  0.91665212  0.14902620
   0.35192031  0.82730573  0.25823526
   0.14947138  0.68302228  0.48375401
   0.41123129  0.57081693  0.88429725
   0.07372721  0.91291017  0.60761864
   0.34119464  0.93056839  0.71439994
   0.65505364  0.14979325  0.99631724
   0.90695623  0.08898087  0.38564300
   0.62998665  0.40613697  0.12534718
   0.86352342  0.26957245  0.20622814
   0.65880136  0.17518921  0.49835892
   0.90911482  0.07288470  0.88754346
   0.60168882  0.43054368  0.62907545
   0.81028272  0.32925095  0.76394938
   0.65165795  0.65762639  0.01165667
   0.87993862  0.61446748  0.39490659
   0.58851129  0.91446137  0.12841541
   0.83013412  0.83663917  0.25881358
   0.63525538  0.67573234  0.50398632
   0.90335471  0.58967199  0.88825276
   0.61313451  0.94828952  0.64268746
   0.84790165  0.84636826  0.75494857
   0.08312940  0.05635000  0.09500243
   0.34963802  0.17831654  0.29385952
   0.18120001  0.31148592  0.04712951
   0.41199039  0.42587004  0.35048199
   0.50409361  0.35619251  0.18193383
   0.26452496  0.41065087  0.20369291
   0.30185798  0.11219817  0.47110021
   0.04678224  0.14511902  0.42055391
   0.10230184  0.06481867  0.58001938
   0.34705923  0.20218119  0.80310336
   0.15946962  0.32205891  0.53615414
   0.41244247  0.43413534  0.84224686
   0.45511417  0.37610555  0.66145478
   0.21338097  0.40324355  0.71521421
   0.30126796  0.09595745 -0.02718497
   0.04118183  0.13325074  0.93065096
   0.10671007  0.55543369  0.09611069
   0.35881552  0.67936254  0.30175522
   0.15754952  0.81260306  0.05838060
   0.38348693  0.94104894  0.34096496
   0.44836360  0.85205737  0.16886848
   0.18714431  0.89317315  0.23539465
   0.30168865  0.62986747  0.46366156
   0.03794846  0.65172505  0.38618486
   0.09651823  0.57286549  0.57014252
   0.31409342  0.64756354  0.78956118
   0.12754451  0.83255568  0.51748153
   0.38563729  0.95144520  0.82550902
   0.47321559  0.84982515  0.65515579
   0.18832754  0.87470001  0.68696172
   0.30793083  0.60041517 -0.02173718
   0.06061572  0.63348249  0.91194062
   0.59956856  0.06887728  0.08534911
   0.84455197  0.17702613  0.29783473
   0.66492981  0.31119150  0.03749441
   0.84555153  0.45290241  0.37311520
   0.00046704  0.33878028  0.19114389
   0.74777546  0.39133327  0.20016533
   0.79039953  0.10386820  0.46771843
   0.55843280  0.14688244  0.41001368
   0.57847237  0.08237973  0.58919303
   0.86800674  0.19171956  0.80719393
   0.63513528  0.33584627  0.53891842
   0.90906247  0.44993725  0.83354128
   0.96731670  0.34101230  0.63549251
   0.70656355  0.45457680  0.72334604
   0.80205353  0.10381415  0.96853631
   0.55034077  0.12541963  0.91114110
   0.60398081  0.56558967  0.09553914
   0.80976026  0.68274788  0.29431859
   0.63611680  0.81738014  0.04811194
   0.88829735  0.93596198  0.34700972
   0.92792609  0.83760266  0.16545827
   0.69585762  0.89980158  0.21411128
   0.79530747  0.64116854  0.49244259
   0.55900793  0.62159729  0.40832299
   0.60553712  0.57731464  0.58925938
   0.85721054  0.70342427  0.80878078
   0.60578794  0.82951344  0.47155677
   0.92458127  0.93706857  0.83456425
   0.94161795  0.85475567  0.66083678
   0.69540632  0.92232206  0.74598786
   0.79265482  0.60573880  0.97833154
   0.55259856  0.63713061  0.92372429
   0.73779096  0.89505579  0.59225082
   0.63560989  0.90012372  0.52088730
   0.83472642  0.22511346  0.10356909
   0.81693749  0.41756967  0.27472245
   0.35982492  0.06673383  0.67098797
   0.23685764  0.69760087  0.84036270
   0.11615090  0.95074408  0.29498724
   0.15267905  0.87956071  0.00493053
   0.77212149  0.29179154  0.66227224
   0.87640129  0.38206931  0.63400365
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822106   -0.001911   -0.044733
    -0.000000    9.873804   -0.003125
    -0.000000   -0.000000   13.787902
   Si   O    H 
    32    64    10
Direct configuration=    22
   0.16171819  0.15297970  0.00841763
   0.41026534  0.09116460  0.38297923
   0.13565222  0.40478093  0.13644534
   0.38990737  0.33113137  0.25454810
   0.15778898  0.16677664  0.49947954
   0.39674903  0.10394339  0.87991563
   0.10879895  0.42406205  0.62086196
   0.35498014  0.35127903  0.75140841
   0.15198208  0.64847311  0.01331473
   0.40746562  0.58350696  0.38805019
   0.07438332  0.91664933  0.14874494
   0.35232218  0.82860169  0.25795428
   0.14793961  0.68085111  0.48467559
   0.41152958  0.57396567  0.88454027
   0.07410277  0.91315602  0.60627959
   0.34319725  0.93202414  0.71438719
   0.65349663  0.14718391  0.99737818
   0.90741619  0.08830666  0.38508265
   0.62933432  0.40578515  0.12514943
   0.86395885  0.27047272  0.20524894
   0.65718726  0.17608948  0.49865808
   0.90808453  0.07404638  0.88837134
   0.60345424  0.42861182  0.62950590
   0.80955690  0.32812582  0.76350593
   0.65126739  0.65837421  0.01208288
   0.87841321  0.61509752  0.39333687
   0.58896996  0.91216382  0.12756211
   0.82948288  0.83730015  0.25833320
   0.63478090  0.67420463  0.50391118
   0.90238216  0.59052613  0.88825545
   0.61591913  0.94773844  0.64313993
   0.84850442  0.84927546  0.75620309
   0.08342816  0.05537680  0.09470175
   0.35094027  0.17885790  0.29334017
   0.18108969  0.30975825  0.04739840
   0.41050132  0.42527256  0.35064133
   0.50119202  0.35373296  0.18039625
   0.26456794  0.41153689  0.20418080
   0.30299461  0.11116757  0.46958918
   0.04692557  0.14444883  0.42079609
   0.10167489  0.06363941  0.58184158
   0.34804344  0.20537602  0.80168160
   0.15795309  0.32079972  0.53523531
   0.41208159  0.43257654  0.84229617
   0.45529328  0.37724886  0.66172168
   0.21366170  0.40190543  0.71388614
   0.30037384  0.09633372 -0.02648916
   0.04347244  0.13412909  0.93130305
   0.10890370  0.55570352  0.09766346
   0.36125857  0.67854404  0.30127473
   0.15469971  0.81205150  0.05916438
   0.38131029  0.94204566  0.34240377
   0.44935026  0.85185247  0.17005241
   0.19011382  0.89173049  0.23644515
   0.30093817  0.62944461  0.46315785
   0.03994156  0.65223125  0.38583863
   0.09648051  0.57454756  0.56851409
   0.31410866  0.64923334  0.78850664
   0.12769992  0.83083801  0.51715521
   0.38592777  0.95488779  0.82659041
   0.47544330  0.85097504  0.65544565
   0.19089056  0.87293648  0.68855189
   0.31018996  0.60084570 -0.02141048
   0.05950200  0.63087868  0.91112114
   0.59908319  0.06819721  0.08576203
   0.84638496  0.17723285  0.29872439
   0.66333562  0.31081327  0.03943668
   0.84563370  0.45247702  0.37082486
   0.00077303  0.34271429  0.19006485
   0.75011998  0.39000055  0.20180267
   0.78790624  0.10393004  0.47002428
   0.55877085  0.14748361  0.40937910
   0.57810753  0.08491204  0.59006703
   0.87051332  0.19274834  0.80770560
   0.63329711  0.33429994  0.53766384
   0.90611632  0.44966198  0.83263488
   0.96693848  0.33964018  0.63686245
   0.70883872  0.45701291  0.72260789
   0.80139830  0.10320831  0.96854872
   0.55139539  0.12455883  0.91173969
   0.60419499  0.56378447  0.09833734
   0.80840807  0.68184035  0.29562748
   0.63635785  0.81495652  0.04568880
   0.88606490  0.93736351  0.34740225
   0.93046004  0.83708608  0.16632540
   0.69776174  0.89972848  0.21478132
   0.79688207  0.64206961  0.49316260
   0.56143368  0.61934286  0.40823361
   0.60589049  0.57609676  0.58949104
   0.86053900  0.70615002  0.80772645
   0.60609602  0.83157801  0.47082973
   0.92369608  0.93600210  0.83418349
   0.94351875  0.85482252  0.66253169
   0.69669251  0.92193291  0.74700670
   0.79426877  0.60473865  0.97805701
   0.55155547  0.63402588  0.92177812
   0.72236086  0.89759245  0.59203960
   0.62440533  0.89200973  0.52581690
   0.84298530  0.22304694  0.10325738
   0.82083930  0.42588568  0.27913938
   0.36264140  0.06758860  0.67196571
   0.24841810  0.70033538  0.83723776
   0.12097122  0.96795411  0.29091122
   0.15935085  0.86938303 -0.00328241
   0.79261036  0.29910786  0.65708570
   0.87145955  0.38603145  0.62398288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816490   -0.002392   -0.046511
    -0.000000    9.871811   -0.002949
    -0.000000   -0.000000   13.785921
   Si   O    H 
    32    64    10
Direct configuration=    23
   0.16017131  0.15051112  0.00749996
   0.40787882  0.09120495  0.38392436
   0.13484361  0.40262568  0.13522210
   0.39039989  0.33200145  0.25607106
   0.15823966  0.16668476  0.49928783
   0.39651481  0.10256813  0.87998007
   0.11013896  0.42157738  0.62164639
   0.35551990  0.35259263  0.75088522
   0.15169406  0.64897008  0.01268661
   0.40658530  0.58420067  0.38718058
   0.07547138  0.91596922  0.14900598
   0.35298923  0.82996948  0.25863520
   0.14620548  0.67860989  0.48499787
   0.41173800  0.57765694  0.88473127
   0.07541132  0.91322073  0.60522098
   0.34549620  0.93364791  0.71418353
   0.65161668  0.14558172  0.99835639
   0.90727236  0.08803910  0.38498085
   0.62823526  0.40604881  0.12545688
   0.86371345  0.27075275  0.20391851
   0.65517910  0.17666932  0.49896354
   0.90634662  0.07591147  0.88885379
   0.60433483  0.42660484  0.63011770
   0.80916241  0.32705764  0.76284357
   0.65023132  0.65946450  0.01246615
   0.87675345  0.61505277  0.39152811
   0.58936045  0.91010020  0.12677280
   0.82924659  0.83761570  0.25829618
   0.63432087  0.67312965  0.50411843
   0.90115792  0.59175027  0.88841313
   0.61865738  0.94714613  0.64370487
   0.84880780  0.85185841  0.75715266
   0.08481197  0.05390865  0.09367135
   0.35217186  0.17983270  0.29266112
   0.18181198  0.30784227  0.04745958
   0.40890759  0.42511763  0.35107054
   0.49838692  0.35129164  0.17892048
   0.26455657  0.41179383  0.20378303
   0.30436328  0.11104059  0.46845152
   0.04619188  0.14408678  0.42069132
   0.10064794  0.06348038  0.58391178
   0.34854702  0.20858389  0.80013669
   0.15619214  0.31993349  0.53462106
   0.41089052  0.43031295  0.84300230
   0.45520536  0.37851836  0.66210150
   0.21301967  0.40115458  0.71221844
   0.30049575  0.09536596 -0.02562803
   0.04630509  0.13519061  0.93146850
   0.10973650  0.55582400  0.09911741
   0.36357103  0.67852687  0.30048667
   0.15220102  0.81133048  0.05944764
   0.37962203  0.94344178  0.34399729
   0.44975886  0.85154993  0.17098149
   0.19313324  0.88972233  0.23734484
   0.30077942  0.62948343  0.46234884
   0.04217175  0.65342783  0.38622188
   0.09646608  0.57556982  0.56636959
   0.31410202  0.65155285  0.78824275
   0.12897542  0.82899508  0.51655448
   0.38564351  0.95801233  0.82773873
   0.47822478  0.85225055  0.65614206
   0.19378928  0.87149709  0.68988947
   0.31190237  0.60083776 -0.02043922
   0.05971107  0.62890041  0.91062492
   0.59834471  0.06644869  0.08710322
   0.84882023  0.17795125  0.29902779
   0.66157772  0.31034783  0.04056730
   0.84574910  0.45224934  0.36832780
   0.00157679  0.34626633  0.18913837
   0.75281610  0.38833531  0.20310548
   0.78620145  0.10317781  0.47254762
   0.55937941  0.14743121  0.40890227
   0.57809342  0.08801670  0.59133986
   0.87362131  0.19374752  0.80824185
   0.63183875  0.33264372  0.53610098
   0.90350004  0.44890042  0.83193081
   0.96669142  0.33933675  0.63816919
   0.71077399  0.45958680  0.72083573
   0.80171327  0.10196148  0.96902491
   0.55254470  0.12342835  0.91223454
   0.60432042  0.56185000  0.10096404
   0.80757393  0.68099633  0.29700505
   0.63716504  0.81375486  0.04274117
   0.88416076  0.93770134  0.34675687
   0.93269030  0.83685117  0.16706169
   0.69795991  0.90076374  0.21547469
   0.79939758  0.64311356  0.49378802
   0.56353405  0.61750894  0.40801836
   0.60643670  0.57494930  0.58956484
   0.86352628  0.70932626  0.80641826
   0.60669287  0.83359993  0.47051674
   0.92315525  0.93484769  0.83374007
   0.94496113  0.85483440  0.66438171
   0.69785773  0.92141478  0.74884412
   0.79602199  0.60371699  0.97788940
   0.55154476  0.63179764  0.91984219
   0.71897997  0.89648925  0.59376638
   0.61675948  0.88732018  0.52535125
   0.84905151  0.21615264  0.10606861
   0.82181717  0.44200464  0.29474855
   0.36204152  0.06526256  0.67520234
   0.25839752  0.70243769  0.82873003
   0.12211005  0.98271843  0.29054166
   0.16637598  0.85768905 -0.01106998
   0.79902641  0.29271335  0.65804488
   0.87625779  0.39066904  0.61489420
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811237   -0.003110   -0.047957
    -0.000000    9.869932   -0.002443
    -0.000000   -0.000000   13.784207
   Si   O    H 
    32    64    10
Direct configuration=    24
   0.15848487  0.14806438  0.00743451
   0.40640804  0.09139845  0.38465518
   0.13405702  0.40025107  0.13413755
   0.39111977  0.33292018  0.25775996
   0.15878347  0.16579584  0.49889611
   0.39621038  0.10135633  0.87983675
   0.11077621  0.41946329  0.62211372
   0.35638440  0.35334009  0.75047739
   0.15150607  0.65017838  0.01134778
   0.40554040  0.58435179  0.38640245
   0.07724903  0.91515714  0.14932930
   0.35311213  0.83126839  0.25960469
   0.14497462  0.67624258  0.48456677
   0.41178064  0.58151495  0.88459312
   0.07627590  0.91290958  0.60471220
   0.34757462  0.93577996  0.71457291
   0.65005910  0.14457221  0.99950046
   0.90702582  0.08736258  0.38460038
   0.62755433  0.40617530  0.12558404
   0.86373930  0.27097234  0.20265891
   0.65294038  0.17754205  0.49912899
   0.90511096  0.07765226  0.88906064
   0.60521785  0.42474971  0.63076682
   0.80931143  0.32650458  0.76185238
   0.64858402  0.66050394  0.01243910
   0.87448801  0.61432263  0.38995585
   0.58964684  0.90846042  0.12610191
   0.82891139  0.83774197  0.25803647
   0.63380507  0.67216065  0.50372121
   0.90000560  0.59308736  0.88814439
   0.62139996  0.94642589  0.64470377
   0.84895734  0.85398538  0.75711877
   0.08535335  0.05246166  0.09222690
   0.35406180  0.18137170  0.29224960
   0.18235649  0.30568374  0.04712388
   0.40769816  0.42497518  0.35130938
   0.49622751  0.34959092  0.17756866
   0.26347002  0.41209793  0.20282479
   0.30573641  0.11080312  0.46844640
   0.04559259  0.14312866  0.42029665
   0.09945037  0.06427075  0.58611587
   0.34839203  0.21087325  0.79871474
   0.15535574  0.31890901  0.53430590
   0.40994264  0.42779551  0.84374280
   0.45405568  0.37918735  0.66274939
   0.21228985  0.40051759  0.71064532
   0.30089695  0.09453026 -0.02430268
   0.04896248  0.13636769  0.93142768
   0.11024498  0.55559315  0.10019379
   0.36570165  0.67858910  0.29944145
   0.15040308  0.81091669  0.05962284
   0.37862724  0.94436633  0.34554394
   0.45047722  0.85145620  0.17136506
   0.19567488  0.88834513  0.23805153
   0.30069975  0.62964372  0.46158060
   0.04362631  0.65422631  0.38743848
   0.09615121  0.57649982  0.56497605
   0.31482399  0.65359418  0.78796091
   0.13031933  0.82781421  0.51581806
   0.38436059  0.96119035  0.82857369
   0.48102333  0.85268622  0.65668931
   0.19661100  0.87001729  0.69090611
   0.31271283  0.60115695 -0.01934544
   0.06020841  0.62717421  0.91106635
   0.59797785  0.06475391  0.08928025
   0.85060221  0.17901790  0.29883097
   0.66073306  0.30996944  0.04158128
   0.84627317  0.45233128  0.36659441
   0.00248352  0.34972274  0.18852507
   0.75474509  0.38717459  0.20440120
   0.78559689  0.10230852  0.47518713
   0.56027652  0.14762956  0.40863561
   0.57851930  0.09003060  0.59277431
   0.87596074  0.19418045  0.80851847
   0.63039701  0.33148484  0.53436773
   0.90113393  0.44802140  0.83139638
   0.96676150  0.33995069  0.63945663
   0.71183589  0.46239030  0.71941704
   0.80194123  0.10149761  0.96996456
   0.55330741  0.12307097  0.91279713
   0.60470621  0.55942036  0.10341630
   0.80736424  0.68116045  0.29838370
   0.63827249  0.81257356  0.03987602
   0.88178277  0.93793648  0.34590387
   0.93487543  0.83607618  0.16756808
   0.69724943  0.90153771  0.21564538
   0.80268667  0.64482519  0.49363116
   0.56496492  0.61530550  0.40769879
   0.60669095  0.57434272  0.58976084
   0.86488529  0.71118428  0.80554182
   0.60716648  0.83485057  0.46935276
   0.92268876  0.93515825  0.83387944
   0.94586485  0.85506120  0.66609587
   0.69842626  0.92066570  0.75126934
   0.79788028  0.60293720  0.97807261
   0.55182733  0.63062232  0.91837788
   0.72555512  0.89327604  0.59254544
   0.61081986  0.89409241  0.52555527
   0.85262796  0.21089811  0.11326097
   0.82302892  0.45537034  0.31673553
   0.36080125  0.06640734  0.67816873
   0.25302316  0.71512901  0.82750598
   0.11645997  1.00045614  0.29170953
   0.17162992  0.84827730 -0.01862310
   0.79938470  0.27637410  0.66088597
   0.88936738  0.39592147  0.60908151
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805947   -0.003386   -0.048820
    -0.000000    9.868615   -0.001841
    -0.000000   -0.000000   13.782757
   Si   O    H 
    32    64    10
Direct configuration=    25
   0.15741560  0.14718689  0.00786968
   0.40583041  0.09154553  0.38500048
   0.13382521  0.39787821  0.13285767
   0.39139364  0.33343576  0.25898404
   0.15920190  0.16532488  0.49872723
   0.39567596  0.10076631  0.87974470
   0.11137024  0.41834588  0.62252123
   0.35712824  0.35434923  0.75069515
   0.15149308  0.65123287  0.00993347
   0.40497231  0.58483340  0.38549739
   0.07898799  0.91410837  0.14935572
   0.35291910  0.83296278  0.26067601
   0.14405266  0.67419888  0.48425479
   0.41095878  0.58471077  0.88452317
   0.07773173  0.91197304  0.60478030
   0.34953857  0.93744035  0.71517098
   0.64876325  0.14446968  1.00073667
   0.90645591  0.08692437  0.38395479
   0.62720134  0.40601711  0.12623538
   0.86386003  0.27092059  0.20188705
   0.65060637  0.17764195  0.49951753
   0.90411388  0.07896825  0.88912671
   0.60547601  0.42274954  0.63124233
   0.80967056  0.32590153  0.76110935
   0.64745335  0.66147372  0.01205731
   0.87200924  0.61353635  0.38839958
   0.59030362  0.90731461  0.12547357
   0.82805054  0.83761471  0.25836336
   0.63334063  0.67172584  0.50328482
   0.89834070  0.59407870  0.88787763
   0.62318207  0.94601731  0.64581808
   0.84892477  0.85571545  0.75755735
   0.08529373  0.05178308  0.09113785
   0.35592654  0.18373175  0.29167128
   0.18211087  0.30280318  0.04645017
   0.40677911  0.42592507  0.35143230
   0.49503897  0.34758746  0.17589995
   0.26326971  0.41239821  0.20233472
   0.30666737  0.11092454  0.46889209
   0.04485790  0.14169632  0.41959847
   0.09799664  0.06599957  0.58763456
   0.34786614  0.21275100  0.79782360
   0.15509291  0.31781534  0.53408572
   0.40918975  0.42642644  0.84431734
   0.45336150  0.37976187  0.66318986
   0.21130331  0.40002009  0.70970677
   0.30209761  0.09375900 -0.02357797
   0.05126127  0.13746361  0.93045254
   0.11122226  0.55538160  0.10134235
   0.36787336  0.67901096  0.29798413
   0.14932585  0.81016369  0.05948464
   0.37810515  0.94451714  0.34697884
   0.45202310  0.85198366  0.17049104
   0.19944548  0.88696638  0.23822585
   0.29939189  0.63005230  0.46112270
   0.04502082  0.65437596  0.38871529
   0.09541833  0.57646949  0.56412691
   0.31577259  0.65628703  0.78840383
   0.13185092  0.82684234  0.51541144
   0.38378386  0.96278840  0.82880298
   0.48307232  0.85317436  0.65757840
   0.19970155  0.86837509  0.69152596
   0.31281759  0.60102881 -0.01843962
   0.06055136  0.62578757  0.91156530
   0.59755413  0.06296944  0.09118594
   0.85197468  0.17963403  0.29784424
   0.66045433  0.30912947  0.04112022
   0.84778677  0.45317369  0.36694587
   0.00355199  0.35241074  0.18835644
   0.75644009  0.38713422  0.20514747
   0.78641959  0.10091754  0.47741369
   0.56109434  0.14769454  0.40826424
   0.57862625  0.09172488  0.59416213
   0.87805457  0.19534077  0.80916399
   0.62950818  0.33091796  0.53269989
   0.89887143  0.44641412  0.83066257
   0.96829538  0.34111924  0.64048812
   0.71216454  0.46439471  0.71882161
   0.80111195  0.10054934  0.97095874
   0.55487377  0.12291322  0.91348890
   0.60509502  0.55752818  0.10584285
   0.80692802  0.68203394  0.29980611
   0.63941212  0.81263796  0.03714647
   0.87992412  0.93750495  0.34471048
   0.93688497  0.83433129  0.16815760
   0.69567990  0.90116497  0.21592249
   0.80524531  0.64683267  0.49362279
   0.56588614  0.61417139  0.40702995
   0.60573668  0.57397404  0.59073459
   0.86527638  0.71161971  0.80462571
   0.60842043  0.83492147  0.46826724
   0.92296973  0.93590199  0.83440386
   0.94677484  0.85635588  0.66735746
   0.69792058  0.92038564  0.75344904
   0.79926607  0.60204958  0.97809647
   0.55288814  0.62917133  0.91701673
   0.73464287  0.89004627  0.59002649
   0.60319746  0.90055311  0.52249226
   0.85191229  0.19947764  0.12081516
   0.80562778  0.46258039  0.30017760
   0.35604912  0.07618432  0.67860577
   0.24777885  0.72544374  0.82370176
   0.10377311  1.02214803  0.29331334
   0.17417042  0.84125663 -0.02518130
   0.78941236  0.25083320  0.66779548
   0.90160884  0.39242350  0.60589549
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801156   -0.003894   -0.049395
    -0.000000    9.867882   -0.001425
    -0.000000   -0.000000   13.781579
   Si   O    H 
    32    64    10
Direct configuration=    26
   0.15665743  0.14679579  0.00864375
   0.40551131  0.09174606  0.38521385
   0.13330034  0.39574345  0.13171461
   0.39098597  0.33374453  0.25953164
   0.15946915  0.16466796  0.49872149
   0.39582352  0.10083413  0.88003465
   0.11164987  0.41775360  0.62245567
   0.35804453  0.35515020  0.75088880
   0.15215095  0.65215236  0.00856381
   0.40422277  0.58498155  0.38479102
   0.08124690  0.91291985  0.15003455
   0.35297274  0.83452766  0.26198540
   0.14347849  0.67222142  0.48369938
   0.40949023  0.58748554  0.88407676
   0.07885818  0.91104197  0.60545509
   0.35116876  0.93911339  0.71559219
   0.64787889  0.14465646  1.00150075
   0.90549866  0.08619492  0.38390118
   0.62634491  0.40563768  0.12678023
   0.86381867  0.27066363  0.20158930
   0.64839707  0.17742812  0.50006498
   0.90423400  0.08000231  0.88888627
   0.60556330  0.42129307  0.63184477
   0.81013732  0.32556469  0.75995397
   0.64662068  0.66221559  0.01157216
   0.87027044  0.61241554  0.38735798
   0.59061454  0.90601621  0.12524408
   0.82785564  0.83738745  0.25862723
   0.63336732  0.67167334  0.50298900
   0.89649974  0.59473109  0.88717146
   0.62561626  0.94549909  0.64752931
   0.84904405  0.85664032  0.75766224
   0.08551553  0.05155774  0.09089701
   0.35788387  0.18509307  0.29157377
   0.18249811  0.30030089  0.04564946
   0.40620467  0.42720096  0.35209074
   0.49496523  0.34556086  0.17449336
   0.26308059  0.41297365  0.20242231
   0.30726142  0.11152026  0.46984223
   0.04415740  0.13962860  0.41830307
   0.09650585  0.06790993  0.58879732
   0.34775132  0.21366264  0.79704617
   0.15521975  0.31693063  0.53399896
   0.40858550  0.42658470  0.84516132
   0.45342489  0.38072739  0.66307202
   0.21134677  0.39979497  0.70897512
   0.30328805  0.09348612 -0.02308021
   0.05092578  0.13829131  0.92938103
   0.11239476  0.55497105  0.10206105
   0.36890891  0.67965609  0.29625906
   0.14864308  0.80941387  0.05885440
   0.37875610  0.94429608  0.34794867
   0.45380145  0.85303591  0.16915839
   0.20306547  0.88520031  0.23839001
   0.29806800  0.63097203  0.46104970
   0.04564990  0.65433806  0.38980460
   0.09461823  0.57572719  0.56452377
   0.31676423  0.65944378  0.78927826
   0.13292248  0.82623705  0.51522943
   0.38321664  0.96273757  0.82873995
   0.48479207  0.85321798  0.65861404
   0.20200566  0.86635779  0.69254142
   0.31189974  0.60158662 -0.01728530
   0.06089398  0.62460081  0.91229886
   0.59657738  0.06158315  0.09271113
   0.85323247  0.18056793  0.29754640
   0.66026962  0.30765547  0.04010857
   0.84937124  0.45424175  0.36784371
   0.00411714  0.35465507  0.18821057
   0.75834767  0.38785860  0.20594111
   0.78799016  0.10035643  0.47839508
   0.56139613  0.14745869  0.40753085
   0.57825342  0.09339352  0.59558318
   0.88009466  0.19586194  0.80939626
   0.62940740  0.33256470  0.53100877
   0.89585146  0.44488342  0.83003806
   0.97034420  0.34302817  0.64138200
   0.71237253  0.46604040  0.71841792
   0.80007058  0.09919353  0.97258507
   0.55575949  0.12270420  0.91365562
   0.60561032  0.55719524  0.10774086
   0.80573730  0.68423341  0.30097666
   0.64037320  0.81396002  0.03476632
   0.87848917  0.93656950  0.34404748
   0.93849029  0.83330691  0.16906249
   0.69403760  0.90046596  0.21600083
   0.80654323  0.64895540  0.49333126
   0.56668498  0.61428335  0.40625692
   0.60452294  0.57394055  0.59167105
   0.86566292  0.71107549  0.80423400
   0.60997339  0.83509144  0.46741553
   0.92296010  0.93660912  0.83612196
   0.94792752  0.85721361  0.66709067
   0.69728948  0.91969519  0.75520222
   0.80171021  0.60164095  0.97810067
   0.55397174  0.62771623  0.91585332
   0.74171391  0.88715286  0.58792593
   0.59356426  0.90556727  0.51579829
   0.84717844  0.18586850  0.12485422
   0.78599136  0.46217504  0.28904365
   0.34796855  0.08532272  0.68073067
   0.24853369  0.72760114  0.81525161
   0.08565126  1.04758915  0.29349351
   0.17312117  0.83505025 -0.02746849
   0.77848541  0.22593009  0.67396831
   0.90268239  0.39059810  0.59975930
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796756   -0.004119   -0.049560
    -0.000000    9.867523   -0.000751
    -0.000000   -0.000000   13.780476
   Si   O    H 
    32    64    10
Direct configuration=    27
   0.15584786  0.14677519  0.01002981
   0.40565060  0.09246724  0.38562843
   0.13341918  0.39451430  0.13093150
   0.38952769  0.33449445  0.26026614
   0.15952503  0.16439659  0.49943082
   0.39627228  0.10118954  0.88030614
   0.11180737  0.41808726  0.62214035
   0.35835315  0.35557788  0.75094592
   0.15269430  0.65255000  0.00744363
   0.40445352  0.58456392  0.38393001
   0.08433869  0.91209446  0.15056984
   0.35309594  0.83606836  0.26353387
   0.14337392  0.67022733  0.48299498
   0.40725388  0.58968546  0.88340900
   0.08062218  0.90997952  0.60606181
   0.35227053  0.94031563  0.71568590
   0.64786588  0.14474637  1.00238158
   0.90394560  0.08526142  0.38414932
   0.62553324  0.40494456  0.12730767
   0.86390486  0.26966536  0.20115555
   0.64608548  0.17741251  0.50117613
   0.90507088  0.08253987  0.88877800
   0.60563753  0.41989036  0.63219008
   0.81020791  0.32502472  0.75899242
   0.64626734  0.66195349  0.01141571
   0.86977133  0.61090996  0.38676384
   0.59142737  0.90456075  0.12509993
   0.82788941  0.83759017  0.25866875
   0.63396650  0.67129728  0.50198667
   0.89513500  0.59529700  0.88625137
   0.62760779  0.94460331  0.64931548
   0.84887298  0.85747658  0.75765646
   0.08557000  0.05200707  0.09103973
   0.35935290  0.18664393  0.29179562
   0.18338556  0.29753877  0.04447216
   0.40534906  0.42851856  0.35291516
   0.49452081  0.34298495  0.17351897
   0.26297967  0.41248648  0.20244744
   0.30735667  0.11205696  0.47163733
   0.04371655  0.13810313  0.41716291
   0.09486501  0.07003220  0.58969446
   0.34659458  0.21386876  0.79696708
   0.15487856  0.31534349  0.53367494
   0.40893406  0.42721229  0.84636962
   0.45443436  0.38113861  0.66297995
   0.21086503  0.39963476  0.70834584
   0.30460317  0.09325346 -0.02269123
   0.05023664  0.13828873  0.92766582
   0.11304435  0.55443224  0.10255825
   0.37013265  0.67991268  0.29387323
   0.14760676  0.80843711  0.05872254
   0.37949496  0.94325149  0.34892814
   0.45515958  0.85415246  0.16806543
   0.20640482  0.88332317  0.23798720
   0.29645023  0.63213187  0.46115719
   0.04541889  0.65395462  0.39020581
   0.09389369  0.57389771  0.56559915
   0.31920469  0.66303336  0.79038416
   0.13356078  0.82583139  0.51533238
   0.38329174  0.96178787  0.82853552
   0.48559989  0.85417466  0.65965131
   0.20441402  0.86426646  0.69407385
   0.31095041  0.60164202 -0.01647181
   0.06042861  0.62325697  0.91343790
   0.59583619  0.06113596  0.09452320
   0.85408918  0.18080666  0.29729599
   0.66070045  0.30647775  0.03852953
   0.85032212  0.45580686  0.36818194
   0.00397755  0.35615900  0.18867409
   0.75997650  0.38885222  0.20742222
   0.79057669  0.10003158  0.47976565
   0.56088189  0.14713348  0.40641940
   0.57868823  0.09524941  0.59614658
   0.88158851  0.19686274  0.80928596
   0.62872120  0.33429201  0.52917241
   0.89286150  0.44320623  0.82952547
   0.97210155  0.34433870  0.64218281
   0.71241120  0.46757600  0.71814968
   0.79899685  0.09808262  0.97447351
   0.55643025  0.12303720  0.91261516
   0.60590151  0.55834795  0.10908550
   0.80450738  0.68640451  0.30117570
   0.64080694  0.81588063  0.03238427
   0.87666581  0.93591189  0.34352002
   0.94004175  0.83274983  0.16988801
   0.69148978  0.89934884  0.21570890
   0.80737975  0.65076890  0.49369275
   0.56762171  0.61426844  0.40553819
   0.60291575  0.57416332  0.59241866
   0.86671710  0.70950850  0.80371449
   0.61176593  0.83477718  0.46637638
   0.92290097  0.93786299  0.83850249
   0.94910627  0.85846760  0.66571960
   0.69650204  0.91880575  0.75670990
   0.80290462  0.60180099  0.97814516
   0.55574974  0.62716494  0.91516871
   0.74206222  0.88597695  0.58584144
   0.58601632  0.90597530  0.50956134
   0.84338979  0.17126849  0.12690448
   0.77179474  0.45347991  0.28431225
   0.34140091  0.08690178  0.68138410
   0.25431512  0.72883114  0.80404764
   0.06755408  1.07180487  0.28839001
   0.16846505  0.83333231 -0.02906179
   0.76540862  0.20872668  0.68075649
   0.89885783  0.38994422  0.59483462
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.792627   -0.004887   -0.049596
    -0.000000    9.867403   -0.000073
    -0.000000   -0.000000   13.779086
   Si   O    H 
    32    64    10
Direct configuration=    28
   0.15497099  0.14691299  0.01110105
   0.40574017  0.09291317  0.38586529
   0.13452253  0.39412447  0.13063989
   0.38824087  0.33560664  0.26055624
   0.15971776  0.16396752  0.49998667
   0.39601307  0.10239213  0.88058757
   0.11122626  0.41880665  0.62121910
   0.35870877  0.35615287  0.75139839
   0.15328306  0.65326747  0.00671279
   0.40474230  0.58465169  0.38326030
   0.08765344  0.91079587  0.15124891
   0.35386299  0.83725143  0.26511206
   0.14337009  0.66792891  0.48215913
   0.40435719  0.59120862  0.88290285
   0.08298306  0.90931753  0.60721808
   0.35328533  0.94160327  0.71574769
   0.64826927  0.14460026  1.00397526
   0.90237479  0.08452052  0.38412474
   0.62536150  0.40480592  0.12774055
   0.86451061  0.26873826  0.20058244
   0.64460087  0.17683284  0.50207621
   0.90637490  0.08503825  0.88875327
   0.60529968  0.41839071  0.63207315
   0.81060819  0.32517430  0.75760622
   0.64670018  0.66096689  0.01123650
   0.87027042  0.60939251  0.38627585
   0.59255867  0.90385447  0.12508441
   0.82754099  0.83804236  0.25872037
   0.63516424  0.67124417  0.50109355
   0.89358961  0.59504297  0.88452120
   0.62981924  0.94379569  0.65075652
   0.84848618  0.85848051  0.75748375
   0.08574190  0.05196840  0.09060247
   0.36071931  0.18745923  0.29179740
   0.18400745  0.29446091  0.04394662
   0.40528435  0.42918043  0.35404639
   0.49437366  0.34109124  0.17301836
   0.26341801  0.41102051  0.20239961
   0.30691824  0.11262806  0.47331271
   0.04336190  0.13793860  0.41528351
   0.09428821  0.07182419  0.59015885
   0.34559647  0.21261068  0.79674361
   0.15465769  0.31387058  0.53330441
   0.40883863  0.42826541  0.84779270
   0.45503570  0.38133492  0.66267721
   0.21090704  0.39904544  0.70790275
   0.30558134  0.09304436 -0.02256271
   0.04843257  0.13803089  0.92610634
   0.11328843  0.55417333  0.10284514
   0.37173144  0.68023542  0.29097150
   0.14640870  0.80854826  0.05868454
   0.37973478  0.94130344  0.34980681
   0.45562978  0.85475629  0.16700454
   0.20869825  0.88192030  0.23707633
   0.29527566  0.63310159  0.46139319
   0.04469247  0.65350673  0.39007511
   0.09284653  0.57117311  0.56737174
   0.32240283  0.66638861  0.79120589
   0.13341899  0.82602581  0.51569055
   0.38308095  0.96035383  0.82859315
   0.48584073  0.85563206  0.66099425
   0.20671824  0.86196873  0.69513004
   0.30989731  0.60156753 -0.01634341
   0.06064053  0.62217442  0.91450236
   0.59574653  0.06003061  0.09628619
   0.85529663  0.18130084  0.29693709
   0.66056900  0.30600967  0.03686182
   0.85049746  0.45650733  0.36768422
   0.00386786  0.35702772  0.18928212
   0.76080439  0.38969925  0.20856993
   0.79297459  0.10092881  0.48091329
   0.55964538  0.14597846  0.40487370
   0.57876420  0.09723395  0.59776252
   0.88332526  0.19811277  0.80971705
   0.62832824  0.33646804  0.52766977
   0.89013219  0.44139266  0.82923502
   0.97315785  0.34564903  0.64292175
   0.71213010  0.46758663  0.71813835
   0.79834544  0.09656902  0.97645068
   0.55650407  0.12398463  0.91152775
   0.60562010  0.56059597  0.11009567
   0.80284183  0.68906556  0.30056505
   0.64089022  0.81831922  0.03005271
   0.87566300  0.93437675  0.34330932
   0.94196634  0.83213743  0.17068952
   0.68911914  0.89833243  0.21538018
   0.80825988  0.65297062  0.49387033
   0.56693546  0.61408070  0.40529224
   0.60134043  0.57521844  0.59313466
   0.86690666  0.70731818  0.80337468
   0.61281770  0.83333000  0.46560798
   0.92290508  0.93929280  0.84129758
   0.94988871  0.86026063  0.66448275
   0.69574787  0.91783302  0.75822689
   0.80353935  0.60210269  0.97884011
   0.55838677  0.62615562  0.91433592
   0.73895126  0.88565430  0.58500392
   0.57727806  0.90564076  0.50508005
   0.84025230  0.16247325  0.12832942
   0.76560582  0.44264231  0.28443123
   0.33663700  0.08213663  0.68199773
   0.24772428  0.74150890  0.79357402
   0.05078122  1.08926050  0.27912052
   0.16389574  0.83396000 -0.03411098
   0.75153971  0.20181312  0.68607610
   0.89397408  0.38499965  0.59092383
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789126   -0.005670   -0.049816
    -0.000000    9.867502    0.000859
    -0.000000   -0.000000   13.778225
   Si   O    H 
    32    64    10
Direct configuration=    29
   0.15412468  0.14648244  0.01194626
   0.40561347  0.09376313  0.38535896
   0.13625177  0.39495603  0.13017751
   0.38679038  0.33693026  0.26046773
   0.15939242  0.16285199  0.50064213
   0.39611541  0.10416883  0.88129655
   0.11064103  0.41913518  0.61986869
   0.35848773  0.35712535  0.75174146
   0.15407942  0.65376829  0.00626466
   0.40505988  0.58465287  0.38259300
   0.09063374  0.90938156  0.15226111
   0.35497930  0.83825144  0.26647524
   0.14300469  0.66594565  0.48159640
   0.40191067  0.59242686  0.88238127
   0.08483379  0.90868088  0.60847258
   0.35405650  0.94243325  0.71597871
   0.64861255  0.14452771  1.00552336
   0.90104724  0.08448019  0.38405392
   0.62521121  0.40356434  0.12796230
   0.86508779  0.26768923  0.20040873
   0.64327561  0.17575864  0.50325058
   0.90729983  0.08728919  0.88889398
   0.60457146  0.41768516  0.63184276
   0.81098467  0.32483703  0.75590551
   0.64792809  0.65955570  0.01102126
   0.87125786  0.60808994  0.38585613
   0.59396181  0.90320591  0.12490293
   0.82686396  0.83821641  0.25887742
   0.63703341  0.67137586  0.49989777
   0.89262730  0.59442752  0.88248337
   0.63247855  0.94299179  0.65196595
   0.84768001  0.85899406  0.75707240
   0.08591790  0.05177167  0.09083030
   0.36210075  0.18753191  0.29176394
   0.18485945  0.29182862  0.04285945
   0.40535819  0.42988042  0.35501402
   0.49416825  0.33947681  0.17266629
   0.26361440  0.40987644  0.20190981
   0.30574490  0.11477197  0.47486147
   0.04283347  0.13828964  0.41393145
   0.09260472  0.07394044  0.59097078
   0.34505684  0.21108036  0.79678959
   0.15438790  0.31333021  0.53226686
   0.40856576  0.42964369  0.84902652
   0.45553083  0.38140359  0.66232435
   0.21162981  0.39806127  0.70741885
   0.30628257  0.09274972 -0.02225661
   0.04626821  0.13733636  0.92448432
   0.11387061  0.55335327  0.10252044
   0.37256529  0.68018005  0.28847110
   0.14464426  0.80816407  0.05839117
   0.38060152  0.93840422  0.35102945
   0.45476514  0.85511101  0.16691390
   0.20915091  0.88106462  0.23553774
   0.29456960  0.63414047  0.46130103
   0.04321854  0.65338307  0.38971781
   0.09128329  0.56859657  0.56963780
   0.32600769  0.67032935  0.79140795
   0.13262598  0.82634584  0.51644579
   0.38266552  0.95868001  0.82877836
   0.48653342  0.85706123  0.66256177
   0.20953555  0.85909565  0.69649933
   0.30869667  0.60138027 -0.01615459
   0.05961368  0.62183454  0.91526969
   0.59606462  0.05928402  0.09833865
   0.85558920  0.18264745  0.29703360
   0.66078761  0.30585372  0.03527501
   0.84973037  0.45758874  0.36670139
   0.00290653  0.35729939  0.18982722
   0.76064906  0.39100625  0.20968635
   0.79513883  0.10175283  0.48111126
   0.55913877  0.14467987  0.40378773
   0.57834117  0.09851990  0.59945179
   0.88534663  0.19979520  0.81034962
   0.62783965  0.33822077  0.52715750
   0.88791770  0.43939528  0.82902522
   0.97282791  0.34628369  0.64304590
   0.71125744  0.46679130  0.71877118
   0.79705908  0.09479493  0.97830256
   0.55660593  0.12471212  0.91008950
   0.60554825  0.56342251  0.11101826
   0.80097779  0.69158005  0.29990680
   0.64135757  0.82057580  0.02855825
   0.87451044  0.93331083  0.34322008
   0.94305669  0.83129533  0.17113905
   0.68697008  0.89667016  0.21495037
   0.80882156  0.65470070  0.49397769
   0.56670282  0.61398940  0.40442682
   0.59910479  0.57627397  0.59352216
   0.86595419  0.70597804  0.80308980
   0.61423834  0.83143682  0.46522874
   0.92272725  0.94098378  0.84382351
   0.95012748  0.86130105  0.66254995
   0.69494405  0.91785741  0.75968787
   0.80322750  0.60334322  0.97968608
   0.56105887  0.62582634  0.91322268
   0.73312920  0.88792241  0.58622553
   0.56755615  0.90458125  0.50251353
   0.83776294  0.15365118  0.13305693
   0.76111348  0.43462102  0.28583687
   0.33137587  0.07386146  0.68023736
   0.25313757  0.74737423  0.78522349
   0.03635731  1.10139032  0.26679343
   0.15794801  0.83763093 -0.04189775
   0.73855476  0.20363313  0.69191753
   0.89146424  0.37701498  0.59294081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.786041   -0.006244   -0.050741
    -0.000000    9.868152    0.001239
    -0.000000   -0.000000   13.777114
   Si   O    H 
    32    64    10
Direct configuration=    30
   0.15340740  0.14532479  0.01221988
   0.40583071  0.09436421  0.38435712
   0.13783491  0.39495029  0.12956504
   0.38573018  0.33862766  0.26023197
   0.15884223  0.16204037  0.50152053
   0.39633605  0.10618430  0.88170819
   0.11008580  0.41962323  0.61847691
   0.35798752  0.35770793  0.75225984
   0.15550131  0.65467691  0.00595588
   0.40571613  0.58509602  0.38173605
   0.09360979  0.90787328  0.15339223
   0.35636680  0.83933075  0.26788031
   0.14194239  0.66450042  0.48152375
   0.39949968  0.59281402  0.88234788
   0.08660429  0.90813533  0.60998686
   0.35507508  0.94306221  0.71596517
   0.64892452  0.14577774  1.00694520
   0.89964766  0.08470131  0.38393030
   0.62512814  0.40204925  0.12787496
   0.86621322  0.26662985  0.19968774
   0.64320523  0.17521681  0.50444692
   0.90782501  0.08895266  0.88936424
   0.60377288  0.41770088  0.63183047
   0.81138551  0.32469867  0.75423985
   0.64948367  0.65818077  0.01057896
   0.87215324  0.60704199  0.38501204
   0.59478849  0.90240569  0.12462828
   0.82612536  0.83833258  0.25889312
   0.63945529  0.67056401  0.49917323
   0.89160453  0.59419222  0.88025318
   0.63462528  0.94231756  0.65302505
   0.84734935  0.85922952  0.75683731
   0.08598376  0.05107191  0.09161132
   0.36321803  0.18710976  0.29195151
   0.18597982  0.29097706  0.04223406
   0.40564620  0.42973244  0.35540663
   0.49483775  0.33792534  0.17262722
   0.26344926  0.40803944  0.20171265
   0.30512583  0.11704169  0.47628335
   0.04258711  0.13881404  0.41245181
   0.09124051  0.07569581  0.59185413
   0.34480122  0.20934463  0.79656027
   0.15469508  0.31300942  0.53111906
   0.40780496  0.43241402  0.85066359
   0.45612374  0.38146747  0.66207047
   0.21207680  0.39723499  0.70746296
   0.30637801  0.09191320 -0.02178100
   0.04582825  0.13726304  0.92349153
   0.11462141  0.55232592  0.10175359
   0.37349610  0.68012790  0.28652219
   0.14198890  0.80748851  0.05810457
   0.38196969  0.93581574  0.35268284
   0.45320782  0.85479100  0.16772803
   0.20889095  0.88023097  0.23361414
   0.29401729  0.63449877  0.46089363
   0.04113864  0.65346816  0.38936489
   0.08928340  0.56461490  0.57208384
   0.32971873  0.67351600  0.79187845
   0.13176048  0.82603316  0.51627713
   0.38208260  0.95651056  0.82876106
   0.48611464  0.85903592  0.66429340
   0.21173280  0.85560220  0.69775324
   0.30751113  0.60154015 -0.01633049
   0.05817723  0.62128611  0.91564985
   0.59728770  0.05972965  0.10017061
   0.85616663  0.18381455  0.29652912
   0.66039337  0.30594895  0.03347575
   0.84893324  0.45745378  0.36553429
   0.00224736  0.35705284  0.18958898
   0.75965260  0.39300580  0.21049171
   0.79773572  0.10224706  0.48141044
   0.55891206  0.14356847  0.40293535
   0.57808907  0.09842465  0.60123757
   0.88718443  0.20086429  0.81055915
   0.62755367  0.33952401  0.52723828
   0.88599671  0.43785807  0.82881584
   0.97115189  0.34713018  0.64282495
   0.70940284  0.46494288  0.71988767
   0.79704687  0.09288330  0.98026357
   0.55644724  0.12488014  0.90850523
   0.60582233  0.56613522  0.11214165
   0.79902369  0.69376633  0.29863133
   0.64204090  0.82244530  0.02708722
   0.87311127  0.93242709  0.34345495
   0.94401065  0.83151546  0.17168966
   0.68548716  0.89403262  0.21497041
   0.80893583  0.65640315  0.49411223
   0.56674255  0.61343265  0.40373156
   0.59676530  0.57700491  0.59365836
   0.86520454  0.70500695  0.80233699
   0.61474245  0.83009919  0.46511972
   0.92186743  0.94291799  0.84641000
   0.95003130  0.86303232  0.66074918
   0.69454168  0.91804158  0.76144105
   0.80278932  0.60377771  0.98057926
   0.56283566  0.62557060  0.91114139
   0.72902643  0.89214330  0.59099452
   0.56275583  0.89564042  0.50162703
   0.83510014  0.15160413  0.13542448
   0.76713427  0.43286388  0.29053133
   0.32242715  0.06631436  0.67734834
   0.26377132  0.74416340  0.78127515
   0.03049895  1.10519806  0.25481129
   0.15397464  0.84411719 -0.05556733
   0.72544616  0.21679208  0.69704262
   0.89152400  0.36389254  0.59772185
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.783333   -0.007270   -0.051677
    -0.000000    9.868994    0.002367
    -0.000000   -0.000000   13.776362
   Si   O    H 
    32    64    10
Direct configuration=    31
   0.15190312  0.14362797  0.01186314
   0.40604717  0.09498914  0.38301051
   0.13886486  0.39496059  0.12912124
   0.38451125  0.34072435  0.26033643
   0.15713997  0.16118623  0.50208956
   0.39686155  0.10757992  0.88226725
   0.11003155  0.41998142  0.61724270
   0.35662734  0.35836808  0.75303084
   0.15633708  0.65568531  0.00593510
   0.40673595  0.58601699  0.38089137
   0.09631874  0.90614966  0.15429864
   0.35852657  0.84022456  0.26883904
   0.13987009  0.66330858  0.48159150
   0.39705032  0.59268569  0.88264673
   0.08850804  0.90818956  0.61156577
   0.35645449  0.94320814  0.71549222
   0.64961100  0.14711111  1.00827175
   0.89789759  0.08458317  0.38401247
   0.62598854  0.40103247  0.12820284
   0.86805031  0.26526211  0.19874603
   0.64262726  0.17471243  0.50563820
   0.90774504  0.09059377  0.88998535
   0.60341811  0.41802448  0.63150534
   0.81098346  0.32439384  0.75286053
   0.65071945  0.65730733  0.00997905
   0.87322985  0.60663507  0.38443854
   0.59527502  0.90143273  0.12413019
   0.82523527  0.83821566  0.25928147
   0.64148438  0.66966741  0.49903768
   0.89117975  0.59350368  0.87882233
   0.63631549  0.94129146  0.65409880
   0.84699763  0.85881052  0.75695471
   0.08609142  0.05020401  0.09282966
   0.36389771  0.18643883  0.29209872
   0.18655512  0.29103855  0.04187579
   0.40597417  0.42920550  0.35617152
   0.49519550  0.33651689  0.17279496
   0.26361761  0.40576714  0.20201131
   0.30391673  0.11877778  0.47676495
   0.04300378  0.13912486  0.41079448
   0.08995494  0.07701144  0.59247382
   0.34425905  0.20810445  0.79668444
   0.15496640  0.31352371  0.53047538
   0.40730340  0.43490402  0.85222554
   0.45698489  0.38153312  0.66222081
   0.21270786  0.39700628  0.70797250
   0.30636059  0.09092671 -0.02125349
   0.04602816  0.13687117  0.92307576
   0.11493077  0.55141242  0.10047525
   0.37432780  0.68005333  0.28534158
   0.14029183  0.80610580  0.05792455
   0.38387236  0.93350216  0.35448368
   0.45077556  0.85460990  0.16812259
   0.20840857  0.87943274  0.23195374
   0.29370812  0.63432533  0.46035997
   0.04026668  0.65336278  0.38895565
   0.08820079  0.56085436  0.57435748
   0.33346513  0.67590752  0.79219334
   0.13150013  0.82476298  0.51594297
   0.38169543  0.95548485  0.82889588
   0.48500586  0.86114049  0.66682186
   0.21360418  0.85263366  0.69924439
   0.30654815  0.60220226 -0.01687245
   0.05551128  0.62096190  0.91556063
   0.59762837  0.06196424  0.10168756
   0.85572161  0.18502455  0.29611303
   0.65946740  0.30636636  0.03193892
   0.84605444  0.45696422  0.36464294
   0.00140299  0.35657469  0.18997239
   0.75785198  0.39549926  0.21104080
   0.79915931  0.10273165  0.48139973
   0.55874836  0.14315160  0.40279553
   0.57799980  0.09768237  0.60243249
   0.88854893  0.20188924  0.81052148
   0.62744718  0.34104077  0.52747030
   0.88505679  0.43760624  0.82919846
   0.96900851  0.34785244  0.64254942
   0.70781531  0.46258452  0.72105753
   0.79721848  0.09131694  0.98187973
   0.55608037  0.12511514  0.90709412
   0.60657781  0.56876442  0.11277307
   0.79843834  0.69556488  0.29781834
   0.64190473  0.82393088  0.02546566
   0.87175975  0.93151693  0.34387138
   0.94479312  0.83186770  0.17206974
   0.68407492  0.89202595  0.21528875
   0.80897807  0.65816073  0.49364084
   0.56603199  0.61253236  0.40265176
   0.59462833  0.57834115  0.59338209
   0.86392821  0.70526937  0.80173186
   0.61532366  0.82889698  0.46514909
   0.92177858  0.94428443  0.84854151
   0.94990426  0.86361555  0.65931200
   0.69381105  0.91806347  0.76327547
   0.80324603  0.60480836  0.98169123
   0.56368483  0.62552427  0.90979973
   0.72581435  0.89648922  0.59458127
   0.56228779  0.89135841  0.50417377
   0.83131816  0.15399092  0.13582602
   0.77984536  0.43416715  0.29865992
   0.31109275  0.06343932  0.67503379
   0.27418125  0.74107552  0.78312141
   0.02985751  1.09583558  0.24311608
   0.14666575  0.85322411 -0.06951288
   0.71412271  0.23394981  0.69963869
   0.89402605  0.34920697  0.60479397
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.780919   -0.008378   -0.052181
    -0.000000    9.869343    0.003453
    -0.000000   -0.000000   13.775506
   Si   O    H 
    32    64    10
Direct configuration=    32
   0.15060182  0.14205213  0.01142732
   0.40634171  0.09520626  0.38134697
   0.13911251  0.39459396  0.12830064
   0.38360255  0.34282895  0.26025593
   0.15470220  0.15991683  0.50264705
   0.39714013  0.10857227  0.88285360
   0.11012991  0.42006640  0.61611613
   0.35567940  0.35847289  0.75403579
   0.15646480  0.65669540  0.00631353
   0.40754274  0.58705660  0.37988843
   0.09899304  0.90473468  0.15491267
   0.36106208  0.84081141  0.26922677
   0.13766270  0.66249711  0.48220202
   0.39519133  0.59220733  0.88274355
   0.09044654  0.90875736  0.61317956
   0.35703561  0.94304693  0.71493822
   0.65060941  0.14777219  1.00929304
   0.89634430  0.08419632  0.38364529
   0.62705251  0.40047546  0.12866480
   0.86970977  0.26434238  0.19760791
   0.64286035  0.17451899  0.50648723
   0.90701379  0.09211192  0.89013788
   0.60316477  0.41898336  0.63102924
   0.81069658  0.32425879  0.75239562
   0.65150537  0.65597007  0.00942100
   0.87422715  0.60630976  0.38338061
   0.59557904  0.90095810  0.12376694
   0.82443743  0.83823433  0.25935953
   0.64338821  0.66892722  0.49867230
   0.89082061  0.59306366  0.87741371
   0.63694763  0.94059342  0.65511413
   0.84718551  0.85813726  0.75696589
   0.08641667  0.04992948  0.09427864
   0.36390472  0.18603896  0.29226936
   0.18715329  0.29175641  0.04176841
   0.40609105  0.42794588  0.35664423
   0.49642750  0.33461917  0.17265210
   0.26434448  0.40425663  0.20236507
   0.30258286  0.11977477  0.47674245
   0.04397386  0.13866884  0.40938204
   0.08898021  0.07763354  0.59358606
   0.34382058  0.20659947  0.79759873
   0.15494137  0.31503156  0.52992480
   0.40662626  0.43806999  0.85315563
   0.45771909  0.38073392  0.66300016
   0.21359048  0.39766912  0.70853643
   0.30682949  0.08992597 -0.02068779
   0.04722330  0.13688200  0.92315154
   0.11509800  0.55094547  0.09865065
   0.37520857  0.67911697  0.28416518
   0.13955403  0.80405489  0.05680338
   0.38651228  0.93131155  0.35676040
   0.44755733  0.85490009  0.16876273
   0.20891219  0.88028384  0.23050495
   0.29282246  0.63420023  0.45954216
   0.03982253  0.65276825  0.38873099
   0.08727094  0.55875373  0.57575733
   0.33835591  0.67612623  0.79277055
   0.13142153  0.82345713  0.51518077
   0.38181252  0.95469993  0.82958634
   0.48411302  0.86327616  0.66860611
   0.21485145  0.85051881  0.70040466
   0.30640298  0.60324465 -0.01782820
   0.05298250  0.62076724  0.91521165
   0.59815188  0.06467600  0.10329742
   0.85574265  0.18528269  0.29627714
   0.65844754  0.30783545  0.03162992
   0.84317535  0.45551737  0.36344434
   0.00027330  0.35550201  0.18977847
   0.75569738  0.39716691  0.21133443
   0.79963680  0.10369429  0.48168905
   0.55854736  0.14211700  0.40344056
   0.57842731  0.09632966  0.60444326
   0.88907961  0.20331132  0.80999107
   0.62781929  0.34169571  0.52760247
   0.88524058  0.43837974  0.82951311
   0.96656475  0.34877693  0.64312549
   0.70597330  0.45937080  0.72196418
   0.79747873  0.08918802  0.98288776
   0.55589864  0.12599595  0.90627148
   0.60727313  0.57105074  0.11307260
   0.79780855  0.69590351  0.29708154
   0.64168596  0.82509237  0.02435925
   0.87087342  0.93067143  0.34454854
   0.94560209  0.83282662  0.17289552
   0.68388877  0.89048543  0.21640005
   0.80927306  0.65883689  0.49290558
   0.56582934  0.61135904  0.40110835
   0.59278242  0.58043477  0.59284382
   0.86273538  0.70745384  0.80090812
   0.61629599  0.82801993  0.46478037
   0.92093932  0.94435963  0.85021815
   0.94831084  0.86398028  0.65827144
   0.69310992  0.91754793  0.76468103
   0.80342353  0.60543227  0.98270098
   0.56278619  0.62553405  0.90867333
   0.73722686  0.89177266  0.59182294
   0.56300565  0.88659654  0.50443124
   0.82829820  0.15465271  0.13479071
   0.79254362  0.44115272  0.31316435
   0.30305074  0.06418163  0.67046294
   0.26348964  0.75395940  0.78325174
   0.03384191  1.08412706  0.23268880
   0.14070648  0.86136718 -0.08157324
   0.70336668  0.24818399  0.70013856
   0.88459041  0.33624146  0.60121836
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.778677   -0.009358   -0.052615
    -0.000000    9.870089    0.003881
    -0.000000   -0.000000   13.774518
   Si   O    H 
    32    64    10
Direct configuration=    33
   0.15023714  0.14070844  0.01060688
   0.40693828  0.09487530  0.37972441
   0.13975415  0.39436470  0.12763282
   0.38306537  0.34507857  0.26030217
   0.15195803  0.15903693  0.50330594
   0.39746035  0.10913910  0.88322876
   0.11034991  0.41975372  0.61552642
   0.35455182  0.35835284  0.75523125
   0.15593497  0.65767540  0.00689475
   0.40747309  0.58816028  0.37888935
   0.10048114  0.90333866  0.15522524
   0.36356403  0.84150272  0.26914324
   0.13602038  0.66173697  0.48356645
   0.39393312  0.59209428  0.88275898
   0.09221237  0.91003402  0.61431187
   0.35757969  0.94263508  0.71409317
   0.65166183  0.14768567  1.00974674
   0.89470380  0.08413895  0.38332728
   0.62842993  0.39967139  0.12919321
   0.87098491  0.26271315  0.19671503
   0.64285752  0.17435720  0.50713788
   0.90618237  0.09316561  0.89048780
   0.60341313  0.41952010  0.63070290
   0.80990056  0.32427443  0.75210558
   0.65200199  0.65471714  0.00873907
   0.87479438  0.60637080  0.38280469
   0.59557489  0.90085372  0.12342862
   0.82373146  0.83869936  0.25898568
   0.64505720  0.66843828  0.49850208
   0.89072937  0.59246696  0.87605557
   0.63775850  0.94067604  0.65599648
   0.84772752  0.85720633  0.75713794
   0.08662853  0.04944019  0.09586863
   0.36270052  0.18596508  0.29238220
   0.18796824  0.29247724  0.04195172
   0.40640866  0.42711828  0.35728302
   0.49704750  0.33290227  0.17261723
   0.26431252  0.40309407  0.20257334
   0.30251570  0.12073011  0.47696249
   0.04485965  0.13850667  0.40837531
   0.08837869  0.07766494  0.59507154
   0.34320093  0.20567469  0.79902407
   0.15525643  0.31703888  0.52920065
   0.40545171  0.44118874  0.85420131
   0.45761357  0.37998837  0.66347435
   0.21429470  0.39914995  0.70888915
   0.30707204  0.08883823 -0.01999988
   0.04917258  0.13748092  0.92360261
   0.11632173  0.55002923  0.09658929
   0.37469597  0.67802560  0.28312950
   0.13880839  0.80197667  0.05583510
   0.38957664  0.93040668  0.35926986
   0.44439761  0.85564681  0.16891246
   0.21080600  0.88038140  0.22960789
   0.29213480  0.63383342  0.45845010
   0.03931967  0.65169279  0.38858649
   0.08669071  0.55845900  0.57647305
   0.34333755  0.67782556  0.79275181
   0.13144992  0.82167494  0.51491905
   0.38218471  0.95443845  0.83085057
   0.48376964  0.86515459  0.67013128
   0.21509988  0.84916256  0.70104924
   0.30648061  0.60478833 -0.01958964
   0.05012869  0.62076875  0.91456498
   0.59794067  0.06751582  0.10437482
   0.85515627  0.18507972  0.29677349
   0.65815102  0.30975871  0.03080544
   0.84198707  0.45402534  0.36319583
  -0.00049191  0.35391834  0.18900112
   0.75353942  0.39755662  0.21100738
   0.79998946  0.10482994  0.48187906
   0.55761750  0.14063537  0.40428732
   0.57936502  0.09473707  0.60652597
   0.88951111  0.20439858  0.80984480
   0.62871067  0.34262612  0.52791663
   0.88656831  0.43924285  0.82969448
   0.96386931  0.34936984  0.64372751
   0.70374707  0.45638764  0.72253982
   0.79843726  0.08730130  0.98376821
   0.55549695  0.12679324  0.90630726
   0.60679315  0.57299476  0.11334544
   0.79671533  0.69509586  0.29710443
   0.64217392  0.82509329  0.02297152
   0.87043881  0.93082665  0.34523849
   0.94632609  0.83391945  0.17414465
   0.68464150  0.88812929  0.21770751
   0.80970792  0.65931017  0.49207239
   0.56538320  0.61012261  0.39979732
   0.59054048  0.58198935  0.59278408
   0.86157381  0.71003107  0.80008145
   0.61687125  0.82720310  0.46525430
   0.91991017  0.94400882  0.85132798
   0.94700008  0.86490721  0.65789290
   0.69289335  0.91716663  0.76599934
   0.80403430  0.60650140  0.98304627
   0.56156822  0.62618067  0.90805299
   0.74780333  0.88820394  0.59092665
   0.56400554  0.88961231  0.50806806
   0.82213211  0.15623836  0.13207610
   0.78650134  0.44571523  0.30985123
   0.29624382  0.06680453  0.66539162
   0.25793219  0.75433021  0.78871866
   0.04462887  1.06887850  0.22982762
   0.13383830  0.87222337 -0.08806669
   0.68861581  0.25282810  0.69840101
   0.88138246  0.32426694  0.59678401
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.777036   -0.009708   -0.053655
    -0.000000    9.871160    0.003994
    -0.000000   -0.000000   13.773739
   Si   O    H 
    32    64    10
Direct configuration=    34
   0.15027773  0.13910341  0.00979364
   0.40741826  0.09477123  0.37855004
   0.14074761  0.39462489  0.12762697
   0.38284653  0.34677981  0.25997448
   0.14899871  0.15823696  0.50345329
   0.39758323  0.10943626  0.88343270
   0.11027758  0.41914827  0.61540941
   0.35377751  0.35887580  0.75639885
   0.15562531  0.65828719  0.00732231
   0.40844261  0.58920991  0.37836570
   0.10132432  0.90177414  0.15508788
   0.36568431  0.84091727  0.26874922
   0.13432647  0.66160577  0.48496530
   0.39351103  0.59260326  0.88271458
   0.09376386  0.91076925  0.61560171
   0.35738238  0.94213161  0.71303796
   0.65204570  0.14813490  1.00959002
   0.89318557  0.08332840  0.38283767
   0.62953859  0.39992285  0.12953895
   0.87223932  0.26092913  0.19595729
   0.64218109  0.17437955  0.50775563
   0.90482598  0.09480267  0.89107198
   0.60417960  0.42004757  0.63052497
   0.80910878  0.32459812  0.75202117
   0.65291381  0.65336417  0.00838294
   0.87499311  0.60717175  0.38206139
   0.59481760  0.90076460  0.12303820
   0.82352068  0.84026226  0.25875987
   0.64626565  0.66764734  0.49806048
   0.89065643  0.59168291  0.87539547
   0.63848339  0.94079966  0.65681058
   0.84889419  0.85616089  0.75712422
   0.08698491  0.04914244  0.09695831
   0.36165215  0.18541554  0.29302614
   0.18866107  0.29370995  0.04245356
   0.40660569  0.42630677  0.35814691
   0.49725825  0.33200556  0.17284197
   0.26257961  0.40260241  0.20338766
   0.30341569  0.12090722  0.47682526
   0.04562460  0.13843046  0.40786673
   0.08861377  0.07637080  0.59654256
   0.34235248  0.20488716  0.80033868
   0.15522544  0.31919595  0.52944981
   0.40427179  0.44282226  0.85472563
   0.45709664  0.37982719  0.66437760
   0.21441399  0.40036586  0.70851783
   0.30641300  0.08794238 -0.01916493
   0.05061884  0.13873198  0.92425017
   0.11700389  0.54868156  0.09465095
   0.37428244  0.67722146  0.28238075
   0.13875422  0.80130293  0.05574751
   0.39246495  0.92932191  0.36165366
   0.44136159  0.85684259  0.16859622
   0.21231074  0.87972367  0.22893611
   0.29206644  0.63386592  0.45714007
   0.03883038  0.64925707  0.38832234
   0.08700124  0.55953168  0.57700976
   0.34734542  0.68009814  0.79220435
   0.13110140  0.82006212  0.51410692
   0.38217590  0.95454228  0.83205151
   0.48398521  0.86671433  0.67167127
   0.21493010  0.84879587  0.70148213
   0.30588419  0.60625382 -0.02113569
   0.04714919  0.62061811  0.91418102
   0.59854336  0.07026165  0.10575583
   0.85309939  0.18470390  0.29735183
   0.65823980  0.31229809  0.02977686
   0.84114380  0.45331012  0.36308954
  -0.00012211  0.35303377  0.18821581
   0.75130462  0.39739966  0.20974391
   0.79970917  0.10643233  0.48221657
   0.55723033  0.13950012  0.40557944
   0.58084296  0.09330264  0.60842323
   0.89058598  0.20609957  0.80977089
   0.63133457  0.34254937  0.52848235
   0.88763134  0.44076684  0.82999920
   0.96093201  0.34952264  0.64414282
   0.70169397  0.45467633  0.72327235
   0.79916182  0.08533057  0.98433734
   0.55573393  0.12720542  0.90642490
   0.60594935  0.57391655  0.11306256
   0.79656972  0.69349506  0.29758660
   0.64179759  0.82488240  0.02193275
   0.87078370  0.93077031  0.34628487
   0.94765130  0.83551676  0.17536101
   0.68512152  0.88632901  0.21850314
   0.81101198  0.65973264  0.49102025
   0.56543908  0.60944227  0.39924205
   0.58778188  0.58355974  0.59202293
   0.86049904  0.71255143  0.79975141
   0.61699979  0.82649473  0.46546772
   0.91949161  0.94276936  0.85175571
   0.94512876  0.86571444  0.65785852
   0.69360805  0.91680485  0.76745496
   0.80558072  0.60785993  0.98291122
   0.56090784  0.62665985  0.90767961
   0.75427589  0.88432386  0.59559781
   0.56652383  0.88867840  0.51156862
   0.81463347  0.16244613  0.12859350
   0.76803870  0.45378494  0.29763879
   0.29040791  0.06641175  0.66146403
   0.26415393  0.74104478  0.79784582
   0.06004957  1.05463474  0.23441707
   0.12799063  0.88137918 -0.08961625
   0.67538071  0.25115349  0.69991107
   0.88523028  0.31157129  0.59323250
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.775651   -0.009829   -0.054779
    -0.000000    9.872345    0.004417
    -0.000000   -0.000000   13.772975
   Si   O    H 
    32    64    10
Direct configuration=    35
   0.15086904  0.13796546  0.00879882
   0.40748821  0.09383419  0.37837050
   0.14207607  0.39502063  0.12787779
   0.38315535  0.34846697  0.26055990
   0.14610938  0.15810750  0.50388158
   0.39738511  0.10874777  0.88353257
   0.11065432  0.41814740  0.61565144
   0.35264771  0.35888519  0.75725079
   0.15531352  0.65880041  0.00764858
   0.40906523  0.58961321  0.37810311
   0.10124880  0.90100619  0.15468360
   0.36733135  0.83944165  0.26844368
   0.13301705  0.66169075  0.48652946
   0.39359449  0.59328952  0.88280150
   0.09469035  0.91153630  0.61719231
   0.35686599  0.94218055  0.71211939
   0.65255482  0.14879228  1.00920963
   0.89173679  0.08309611  0.38239101
   0.63070171  0.40005479  0.12982770
   0.87215523  0.25907937  0.19451949
   0.64183671  0.17479798  0.50827708
   0.90381028  0.09676438  0.89174833
   0.60501533  0.42084604  0.63070426
   0.80881802  0.32530414  0.75191577
   0.65296115  0.65268525  0.00782431
   0.87518917  0.60824645  0.38133670
   0.59323054  0.90126825  0.12248307
   0.82332303  0.84176641  0.25887644
   0.64747808  0.66695785  0.49752160
   0.89067716  0.59103035  0.87519016
   0.63980704  0.94049760  0.65706236
   0.85052427  0.85542819  0.75717108
   0.08832032  0.04877542  0.09739887
   0.36137355  0.18509085  0.29256546
   0.18968097  0.29499397  0.04286723
   0.40625927  0.42647731  0.35927706
   0.49741880  0.33175569  0.17330444
   0.26068764  0.40198637  0.20391742
   0.30391896  0.12100480  0.47603705
   0.04649748  0.13816546  0.40823936
   0.08872442  0.07503766  0.59867225
   0.34123757  0.20437989  0.80105369
   0.15543734  0.32094034  0.52963524
   0.40309242  0.44377928  0.85492144
   0.45506505  0.37852614  0.66595537
   0.21390907  0.40123196  0.70870108
   0.30635114  0.08742610 -0.01835313
   0.05223604  0.14016094  0.92540220
   0.11814961  0.54758690  0.09192565
   0.37397551  0.67611285  0.28155161
   0.13907783  0.80101660  0.05578191
   0.39555736  0.92849214  0.36386497
   0.43874022  0.85891434  0.16785149
   0.21459952  0.87852223  0.22888109
   0.29262174  0.63414810  0.45531488
   0.03818068  0.64722166  0.38816586
   0.08740609  0.56176609  0.57737838
   0.35064174  0.68325451  0.79174999
   0.13099413  0.81846641  0.51397116
   0.38202155  0.95459968  0.83284195
   0.48475956  0.86838763  0.67297115
   0.21511983  0.84924595  0.70161373
   0.30514717  0.60826095 -0.02229397
   0.04473589  0.62070728  0.91406710
   0.59858945  0.07247025  0.10716488
   0.85106414  0.18481586  0.29782427
   0.65876960  0.31469746  0.02825879
   0.83962327  0.45221374  0.36290222
   0.00103478  0.35230979  0.18750590
   0.74963317  0.39693631  0.20846707
   0.79934236  0.10878628  0.48292097
   0.55816014  0.13823776  0.40644291
   0.58240311  0.09193669  0.60961991
   0.89176648  0.20740803  0.80949746
   0.63429336  0.34177636  0.52917945
   0.88856334  0.44227093  0.83039370
   0.95828664  0.34902097  0.64455836
   0.69961862  0.45316596  0.72432607
   0.80081875  0.08380450  0.98459631
   0.55582900  0.12689867  0.90690136
   0.60513654  0.57442342  0.11263946
   0.79668491  0.69202661  0.29811632
   0.64170277  0.82480749  0.02064366
   0.87125333  0.93091311  0.34794470
   0.94877519  0.83611367  0.17650316
   0.68582666  0.88492522  0.21883686
   0.81336294  0.66006154  0.48949532
   0.56531645  0.60879067  0.39900988
   0.58515139  0.58472898  0.59103215
   0.85975630  0.71358995  0.79942988
   0.61616149  0.82619421  0.46618357
   0.91934412  0.94170553  0.85144740
   0.94393218  0.86520261  0.65782629
   0.69445694  0.91673458  0.76957475
   0.80737351  0.60870595  0.98294782
   0.55927849  0.62771380  0.90735420
   0.75799877  0.88366130  0.60475546
   0.57141773  0.88567714  0.51044502
   0.81307874  0.16943080  0.12464847
   0.75448004  0.45934970  0.29001364
   0.28668969  0.06157468  0.65681756
   0.27682698  0.72414115  0.80345134
   0.07588830  1.04079332  0.24532644
   0.12312190  0.88769773 -0.08894143
   0.66891414  0.24434039  0.70315081
   0.89562056  0.30030210  0.59710728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774821   -0.010055   -0.055771
    -0.000000    9.873715    0.004493
    -0.000000   -0.000000   13.772373
   Si   O    H 
    32    64    10
Direct configuration=    36
   0.15161420  0.13686876  0.00808651
   0.40786563  0.09350926  0.37850207
   0.14282757  0.39539316  0.12810338
   0.38359082  0.34908811  0.26123361
   0.14365899  0.15831522  0.50448624
   0.39773679  0.10810580  0.88362150
   0.11085035  0.41672174  0.61616682
   0.35216375  0.35926624  0.75812029
   0.15537644  0.65854609  0.00753224
   0.40864583  0.58949890  0.37774722
   0.10129281  0.90006810  0.15373032
   0.36861783  0.83780686  0.26813578
   0.13149810  0.66187153  0.48817999
   0.39419103  0.59457928  0.88307556
   0.09523281  0.91226043  0.61872258
   0.35578956  0.94294496  0.71140477
   0.65247111  0.14956467  1.00877739
   0.89053806  0.08283190  0.38202532
   0.63089562  0.40139004  0.12926230
   0.87167924  0.25748539  0.19325852
   0.64209133  0.17447859  0.50846526
   0.90321019  0.09845674  0.89232474
   0.60529958  0.42194939  0.63086399
   0.80794378  0.32619166  0.75199417
   0.65303649  0.65248059  0.00731662
   0.87502248  0.60974739  0.38077627
   0.59192203  0.90183306  0.12159714
   0.82396638  0.84255904  0.25875298
   0.64856560  0.66613973  0.49656206
   0.89100469  0.59048000  0.87517891
   0.64190892  0.93962336  0.65723059
   0.85270423  0.85491904  0.75683190
   0.08944479  0.04896940  0.09783578
   0.35986533  0.18472688  0.29201022
   0.19007896  0.29604162  0.04285123
   0.40589559  0.42651213  0.36027326
   0.49743965  0.33217662  0.17318633
   0.25873583  0.40121845  0.20436773
   0.30481011  0.12086048  0.47491632
   0.04776137  0.13749355  0.40924032
   0.08843567  0.07417575  0.60095609
   0.33996081  0.20476706  0.80103780
   0.15474873  0.32167313  0.52950488
   0.40142480  0.44338093  0.85443109
   0.45247267  0.37747378  0.66753957
   0.21313536  0.40218300  0.70872103
   0.30588589  0.08691787 -0.01766177
   0.05336863  0.14069299  0.92658004
   0.12013473  0.54596592  0.08975593
   0.37360352  0.67530127  0.28100625
   0.13955873  0.80122456  0.05598835
   0.39798518  0.92715987  0.36603554
   0.43659658  0.86105720  0.16686605
   0.21721665  0.87792338  0.22887568
   0.29251961  0.63424418  0.45397623
   0.03715020  0.64482554  0.38879828
   0.08793563  0.56442989  0.57770602
   0.35432895  0.68536343  0.79051427
   0.13050023  0.81803808  0.51376258
   0.38230008  0.95505603  0.83361843
   0.48543670  0.86970171  0.67356028
   0.21505678  0.85036206  0.70233033
   0.30357188  0.60979640 -0.02376074
   0.04316754  0.62092702  0.91419483
   0.59914095  0.07472267  0.10833200
   0.84856759  0.18646584  0.29785617
   0.65924777  0.31613063  0.02681590
   0.83714452  0.45031595  0.36183014
   0.00148455  0.35204130  0.18724664
   0.74962596  0.39677020  0.20735141
   0.79921840  0.11136563  0.48407130
   0.56006366  0.13700145  0.40738636
   0.58449766  0.09081624  0.61046252
   0.89342923  0.20847014  0.80887146
   0.63717554  0.34065805  0.53018962
   0.88901688  0.44378983  0.83081617
   0.95586381  0.34861386  0.64486573
   0.69809586  0.45245887  0.72510108
   0.80274896  0.08322598  0.98501471
   0.55593947  0.12655404  0.90738972
   0.60440516  0.57520633  0.11239117
   0.79722425  0.69194691  0.29799718
   0.64162475  0.82476824  0.01995169
   0.87191591  0.93051337  0.35021848
   0.94999686  0.83605780  0.17749925
   0.68577359  0.88401192  0.21858527
   0.81566892  0.66027357  0.48817109
   0.56501898  0.60868678  0.39944017
   0.58294743  0.58544838  0.59006494
   0.85919777  0.71336723  0.79908430
   0.61565820  0.82525116  0.46664028
   0.91939400  0.94105351  0.85134532
   0.94284587  0.86487113  0.65780309
   0.69525681  0.91699739  0.77142145
   0.80910686  0.60962908  0.98261837
   0.55801953  0.62942698  0.90771673
   0.75594923  0.88205306  0.61289787
   0.57091926  0.88792454  0.51243061
   0.81339174  0.17542551  0.12420311
   0.75180016  0.46080411  0.28531093
   0.28688011  0.05399234  0.65473094
   0.26180923  0.72870845  0.80428717
   0.08706134  1.02491316  0.25788244
   0.11853961  0.89342953 -0.08565847
   0.67365255  0.23755640  0.70816447
   0.90578630  0.29117822  0.60550863
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.773986   -0.010859   -0.056736
    -0.000000    9.874951    0.004266
    -0.000000   -0.000000   13.771455
   Si   O    H 
    32    64    10
Direct configuration=    37
   0.15230169  0.13570532  0.00798740
   0.40789553  0.09302300  0.37890163
   0.14357195  0.39589155  0.12833406
   0.38342746  0.34917641  0.26191727
   0.14151403  0.15920501  0.50491594
   0.39725923  0.10706841  0.88381667
   0.11082026  0.41521216  0.61649869
   0.35163036  0.35956330  0.75910117
   0.15476219  0.65842483  0.00712012
   0.40779442  0.58895150  0.37728721
   0.10124827  0.90027631  0.15266799
   0.36968727  0.83625615  0.26788735
   0.13027346  0.66163733  0.48920174
   0.39498188  0.59610360  0.88310526
   0.09543624  0.91195831  0.61982815
   0.35486988  0.94413243  0.71118944
   0.65196167  0.15057990  1.00852889
   0.88966992  0.08307689  0.38198545
   0.63054300  0.40279662  0.12855388
   0.87157659  0.25548882  0.19265934
   0.64248286  0.17381198  0.50872967
   0.90290589  0.09928050  0.89300935
   0.60496877  0.42349417  0.63094716
   0.80714832  0.32681878  0.75250189
   0.65273402  0.65225165  0.00668621
   0.87493692  0.61073075  0.38017569
   0.59045213  0.90269153  0.12056247
   0.82497999  0.84295613  0.25814717
   0.64943530  0.66531251  0.49574504
   0.89107172  0.59075659  0.87519414
   0.64411385  0.93893280  0.65783647
   0.85442314  0.85546140  0.75663075
   0.09027162  0.04896156  0.09815502
   0.35715501  0.18457808  0.29125492
   0.19058550  0.29749624  0.04240059
   0.40613953  0.42608734  0.36166316
   0.49752384  0.33228459  0.17380808
   0.25645465  0.40119506  0.20538665
   0.30512524  0.12001977  0.47350002
   0.04849303  0.13690048  0.41030548
   0.08816125  0.07338426  0.60233906
   0.33825635  0.20599483  0.80083903
   0.15391858  0.32243994  0.52946199
   0.39963134  0.44215071  0.85385954
   0.45090703  0.37566590  0.66899885
   0.21228716  0.40336627  0.70942514
   0.30519779  0.08658811 -0.01700549
   0.05418691  0.14075129  0.92647917
   0.12228957  0.54514040  0.08752327
   0.37309921  0.67475360  0.28059400
   0.14038301  0.80176873  0.05621554
   0.39998226  0.92629466  0.36751587
   0.43492751  0.86354977  0.16517927
   0.22069470  0.87768777  0.22910270
   0.29180745  0.63430762  0.45264787
   0.03656657  0.64226849  0.38904366
   0.08825823  0.56751236  0.57836275
   0.35716139  0.68748377  0.78915328
   0.12939859  0.81838716  0.51380259
   0.38236731  0.95580550  0.83420837
   0.48596327  0.87105162  0.67356421
   0.21443733  0.85030111  0.70277700
   0.30209097  0.61088307 -0.02449181
   0.04287979  0.62082818  0.91484000
   0.59991681  0.07594247  0.10977314
   0.84617424  0.18842942  0.29770432
   0.66026847  0.31749996  0.02522987
   0.83470129  0.44964059  0.36008233
   0.00251799  0.35126342  0.18631245
   0.74976884  0.39686660  0.20644312
   0.79808597  0.11377179  0.48568535
   0.56170219  0.13574731  0.40860406
   0.58693437  0.08955257  0.61095985
   0.89427973  0.21021976  0.80882247
   0.64048456  0.33872270  0.53117435
   0.88957322  0.44528404  0.83119198
   0.95449423  0.34899213  0.64535807
   0.69656986  0.45221614  0.72621593
   0.80429412  0.08321976  0.98564417
   0.55700025  0.12598577  0.90798082
   0.60394212  0.57575599  0.11213827
   0.79685746  0.69186471  0.29812350
   0.64110204  0.82425128  0.01930252
   0.87205518  0.93015407  0.35286724
   0.95055361  0.83694979  0.17863026
   0.68536223  0.88368942  0.21806034
   0.81785987  0.65981317  0.48690149
   0.56516635  0.60823177  0.40008132
   0.58154091  0.58725373  0.58923972
   0.85908666  0.71221111  0.79854937
   0.61531763  0.82334742  0.46677596
   0.91998321  0.93988374  0.85111128
   0.94251192  0.86529273  0.65760062
   0.69704293  0.91681526  0.77289037
   0.81128559  0.61023795  0.98151414
   0.55741259  0.63067473  0.90762221
   0.75806995  0.87997716  0.61933207
   0.56774283  0.89074650  0.51297163
   0.81862876  0.17908210  0.12054121
   0.75647439  0.45745375  0.28276482
   0.29268289  0.04514187  0.65447299
   0.25484182  0.73160101  0.79794739
   0.09332687  1.01055746  0.26923519
   0.11531073  0.89910060 -0.08015568
   0.67962236  0.23178249  0.71456309
   0.90975038  0.27760637  0.61385633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.773072   -0.011308   -0.057423
    -0.000000    9.876035    0.003777
    -0.000000   -0.000000   13.770265
   Si   O    H 
    32    64    10
Direct configuration=    38
   0.15365483  0.13545093  0.00840623
   0.40826405  0.09219021  0.37951841
   0.14403534  0.39655677  0.12780063
   0.38377794  0.34905216  0.26203395
   0.13975505  0.16044072  0.50581514
   0.39717261  0.10590069  0.88423595
   0.11064296  0.41389992  0.61715347
   0.35073137  0.36000143  0.75983137
   0.15338018  0.65786632  0.00649740
   0.40642454  0.58827866  0.37689578
   0.10140454  0.90097316  0.15177686
   0.37052883  0.83472678  0.26743636
   0.12973641  0.66167571  0.49003124
   0.39586624  0.59732147  0.88263600
   0.09615039  0.91125987  0.62019765
   0.35341289  0.94499359  0.71116331
   0.65078876  0.15134159  1.00831480
   0.88892327  0.08380273  0.38273402
   0.62999945  0.40445871  0.12739444
   0.87120629  0.25379639  0.19257059
   0.64261933  0.17314600  0.50875172
   0.90344557  0.09915721  0.89375633
   0.60470037  0.42505759  0.63141516
   0.80606694  0.32804144  0.75312875
   0.65290430  0.65217653  0.00591539
   0.87508339  0.61045847  0.38021109
   0.58845256  0.90390751  0.11953991
   0.82624818  0.84277245  0.25676055
   0.65037131  0.66447716  0.49492395
   0.89175272  0.59124230  0.87536397
   0.64535572  0.93858799  0.65858858
   0.85606455  0.85659480  0.75671622
   0.09049487  0.04903807  0.09941745
   0.35418706  0.18456272  0.29003687
   0.19022669  0.29840537  0.04145184
   0.40662600  0.42434381  0.36321792
   0.49737204  0.33347871  0.17502987
   0.25483134  0.40125334  0.20722185
   0.30523390  0.12001888  0.47229243
   0.04881121  0.13580141  0.41094660
   0.08719198  0.07284662  0.60318033
   0.33619010  0.20708526  0.80019934
   0.15372337  0.32352772  0.52885184
   0.39731199  0.44035852  0.85295607
   0.45044250  0.37331092  0.67003568
   0.21009656  0.40485640  0.71035937
   0.30427531  0.08630747 -0.01686943
   0.05378820  0.14113916  0.92586947
   0.12441539  0.54397683  0.08606673
   0.37240249  0.67538037  0.28067735
   0.14076805  0.80240817  0.05674408
   0.40190246  0.92550053  0.36857115
   0.43442500  0.86570671  0.16334218
   0.22344227  0.87748904  0.22937800
   0.29082539  0.63456977  0.45185864
   0.03706353  0.64070322  0.38906050
   0.08965278  0.56945798  0.57923894
   0.35881089  0.69006743  0.78797789
   0.12818957  0.81905443  0.51428455
   0.38280366  0.95675980  0.83518867
   0.48740528  0.87220967  0.67376425
   0.21426677  0.84930454  0.70350914
   0.30111561  0.61156892 -0.02547892
   0.04286912  0.62098128  0.91628853
   0.60033922  0.07661528  0.11111195
   0.84372242  0.18972983  0.29766354
   0.66191416  0.31837135  0.02401990
   0.83248890  0.44975497  0.35799216
   0.00390585  0.34993971  0.18565490
   0.75068853  0.39691865  0.20563615
   0.79710066  0.11598145  0.48672334
   0.56313077  0.13454574  0.41015534
   0.58948080  0.08835183  0.61095117
   0.89457869  0.21210461  0.80907907
   0.64359839  0.33620133  0.53187442
   0.88928952  0.44571548  0.83117579
   0.95345752  0.34953486  0.64606538
   0.69610546  0.45234467  0.72759263
   0.80592760  0.08367592  0.98676560
   0.55878407  0.12526726  0.90889882
   0.60340253  0.57629940  0.11133098
   0.79720614  0.69189244  0.29831639
   0.64023199  0.82377862  0.01904101
   0.87201949  0.92961323  0.35562499
   0.95064540  0.83764050  0.17932566
   0.68428861  0.88357224  0.21740792
   0.82045560  0.65979774  0.48574888
   0.56564163  0.60797748  0.40097810
   0.58124973  0.58965376  0.58839120
   0.85931769  0.70968975  0.79766122
   0.61447243  0.82157984  0.46723275
   0.92076722  0.93922272  0.85067796
   0.94332012  0.86563741  0.65774050
   0.69875809  0.91685547  0.77438737
   0.81277961  0.60955136  0.98040960
   0.55730608  0.63212544  0.90812679
   0.76388206  0.87556629  0.62150869
   0.56877433  0.88531357  0.50891227
   0.82690464  0.18012150  0.11375851
   0.76678530  0.45080267  0.28402354
   0.29841944  0.04275593  0.65322548
   0.26645687  0.72673185  0.79013134
   0.09244474  0.99980993  0.27838451
   0.11082458  0.90466483 -0.07230514
   0.68527373  0.22660435  0.71812813
   0.90793780  0.26197028  0.62026461
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772366   -0.012716   -0.057939
    -0.000000    9.876786    0.002753
    -0.000000   -0.000000   13.769584
   Si   O    H 
    32    64    10
Direct configuration=    39
   0.15573426  0.13470544  0.00893956
   0.40873187  0.09096147  0.37998607
   0.14380467  0.39746535  0.12703532
   0.38441414  0.34859049  0.26249027
   0.13889360  0.16089235  0.50658988
   0.39740563  0.10468461  0.88486814
   0.11045611  0.41238338  0.61801516
   0.35002851  0.36029581  0.76044399
   0.15232225  0.65819539  0.00557627
   0.40447539  0.58807565  0.37659944
   0.10184418  0.90179997  0.15082737
   0.37175300  0.83340233  0.26720409
   0.12895676  0.66157524  0.49046956
   0.39703943  0.59848895  0.88178980
   0.09695651  0.91019874  0.61990562
   0.35226104  0.94521558  0.71134530
   0.64925628  0.15203730  1.00800260
   0.88836217  0.08416504  0.38354283
   0.62984076  0.40650594  0.12635166
   0.87125070  0.25217063  0.19290485
   0.64347093  0.17232133  0.50910992
   0.90420760  0.09827146  0.89378864
   0.60452087  0.42629519  0.63145770
   0.80560520  0.32934639  0.75399610
   0.65332453  0.65195414  0.00485950
   0.87514209  0.60985790  0.38056206
   0.58640664  0.90499499  0.11885466
   0.82855999  0.84230660  0.25628093
   0.65120540  0.66328984  0.49432734
   0.89256797  0.59184148  0.87567953
   0.64626138  0.93868617  0.65944632
   0.85724409  0.85766773  0.75681134
   0.09092476  0.04832810  0.10044309
   0.35141111  0.18403328  0.28879212
   0.18970823  0.29868029  0.03987923
   0.40675727  0.42243815  0.36491712
   0.49761675  0.33527729  0.17673900
   0.25330273  0.40137213  0.20928094
   0.30486695  0.12032105  0.47168990
   0.04823924  0.13468882  0.41163149
   0.08596881  0.07355677  0.60397341
   0.33421072  0.20754747  0.79982859
   0.15355663  0.32451888  0.52796986
   0.39500099  0.43927424  0.85165814
   0.45088253  0.37066685  0.67061660
   0.20809748  0.40517305  0.71112279
   0.30460864  0.08534129 -0.01691075
   0.05273320  0.14120605  0.92450995
   0.12529211  0.54278167  0.08485382
   0.37141308  0.67629294  0.28088677
   0.14082342  0.80245453  0.05787163
   0.40419818  0.92471604  0.36927312
   0.43545169  0.86779312  0.16165860
   0.22646344  0.87668571  0.23024534
   0.28987715  0.63416992  0.45080441
   0.03792411  0.63905983  0.38873755
   0.09051074  0.57081930  0.58069588
   0.36022584  0.69277877  0.78648790
   0.12649562  0.81992770  0.51489861
   0.38302670  0.95835415  0.83575975
   0.48892656  0.87357311  0.67404620
   0.21449890  0.84846619  0.70349358
   0.30082187  0.61247676 -0.02578334
   0.04382188  0.62073480  0.91811080
   0.60141501  0.07681496  0.11205373
   0.84201047  0.19019549  0.29736211
   0.66358438  0.31940252  0.02268652
   0.83014550  0.45059641  0.35612547
   0.00575308  0.34850061  0.18470536
   0.75225422  0.39746662  0.20469202
   0.79679019  0.11692924  0.48756015
   0.56393953  0.13395645  0.41159069
   0.59208591  0.08672166  0.61052092
   0.89488782  0.21306013  0.80944141
   0.64669035  0.33444547  0.53256252
   0.88928070  0.44603196  0.83153092
   0.95244636  0.34937057  0.64647856
   0.69558228  0.45249443  0.72900288
   0.80711747  0.08436302  0.98776546
   0.56103982  0.12395626  0.91067883
   0.60380920  0.57569295  0.11026440
   0.79690451  0.69205928  0.29874612
   0.63939339  0.82349109  0.01940221
   0.87207300  0.92865160  0.35849347
   0.95128863  0.83877794  0.17935173
   0.68254336  0.88284066  0.21685041
   0.82260595  0.66103772  0.48460419
   0.56610964  0.60813585  0.40183998
   0.58203967  0.59180729  0.58795901
   0.85983226  0.70758258  0.79707739
   0.61382419  0.81994606  0.46762979
   0.92222872  0.93942814  0.85038943
   0.94497304  0.86609602  0.65731280
   0.70050665  0.91699160  0.77494483
   0.81322111  0.60927400  0.97859969
   0.55729206  0.63383833  0.90864256
   0.76222983  0.86928585  0.62229797
   0.56750276  0.88648376  0.50763176
   0.83520401  0.18188478  0.10541637
   0.77851684  0.44308744  0.28911492
   0.30110651  0.04697360  0.65078624
   0.27526332  0.72163630  0.78194197
   0.08700780  0.99282533  0.28175920
   0.10729106  0.90763367 -0.06339856
   0.69103079  0.22341875  0.72134362
   0.90975280  0.25181311  0.62688969
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.771809   -0.013487   -0.058753
    -0.000000    9.877442    0.001801
    -0.000000   -0.000000   13.768577
   Si   O    H 
    32    64    10
Direct configuration=    40
   0.15780883  0.13430585  0.00979860
   0.40909759  0.09029438  0.38017831
   0.14350143  0.39795941  0.12627230
   0.38574946  0.34729223  0.26298932
   0.13901200  0.16109419  0.50734754
   0.39764594  0.10322153  0.88507966
   0.10903312  0.41166520  0.61890285
   0.34930114  0.36052633  0.76071705
   0.15101995  0.65858583  0.00400963
   0.40260069  0.58790383  0.37612398
   0.10142878  0.90198521  0.14994443
   0.37306405  0.83232628  0.26687245
   0.12842688  0.66168839  0.49079660
   0.39908096  0.59939772  0.88139116
   0.09774186  0.90925824  0.61953640
   0.35120856  0.94536375  0.71166970
   0.64817276  0.15252361  1.00765340
   0.88731590  0.08496384  0.38462145
   0.62955663  0.40833941  0.12505608
   0.87004444  0.25033234  0.19319018
   0.64386764  0.17110368  0.50980681
   0.90581378  0.09668973  0.89367949
   0.60354001  0.42768976  0.63154449
   0.80504323  0.33044001  0.75485364
   0.65388766  0.65168248  0.00382599
   0.87539770  0.60916516  0.38130144
   0.58461295  0.90594958  0.11833534
   0.83114471  0.84205009  0.25541501
   0.65233244  0.66244378  0.49387478
   0.89323576  0.59251812  0.87595794
   0.64692387  0.93937426  0.66021028
   0.85762032  0.85849939  0.75724511
   0.09121148  0.04783851  0.10211473
   0.34952839  0.18404894  0.28804320
   0.18954282  0.29828460  0.03790298
   0.40643604  0.42076963  0.36630488
   0.49838961  0.33677447  0.17901509
   0.25175537  0.40226507  0.21093756
   0.30411516  0.12137229  0.47132756
   0.04740392  0.13332994  0.41280518
   0.08551834  0.07404516  0.60442590
   0.33266565  0.20802118  0.80000393
   0.15380807  0.32463652  0.52716647
   0.39258519  0.43927608  0.85049402
   0.45212413  0.36851079  0.67026043
   0.20704963  0.40509575  0.71239468
   0.30526224  0.08538037 -0.01677992
   0.05232963  0.14183195  0.92256237
   0.12659313  0.54195118  0.08392275
   0.37034727  0.67712247  0.28054240
   0.14043237  0.80142808  0.05895952
   0.40616263  0.92376291  0.37001764
   0.43696170  0.86992443  0.16038476
   0.22902212  0.87633417  0.23106035
   0.28927362  0.63413881  0.45044868
   0.03882039  0.63782130  0.38843918
   0.09197234  0.57103060  0.58210039
   0.36240974  0.69573829  0.78524991
   0.12490719  0.82066138  0.51560551
   0.38239390  0.95989891  0.83597482
   0.49002855  0.87515942  0.67399648
   0.21432854  0.84806477  0.70299294
   0.30142719  0.61424696 -0.02638789
   0.04457569  0.62088304  0.91995120
   0.60258650  0.07707487  0.11235121
   0.84081745  0.18969477  0.29685215
   0.66489032  0.32063958  0.02106494
   0.82897720  0.45172701  0.35447629
   0.00770754  0.34695018  0.18398221
   0.75404315  0.39749401  0.20335576
   0.79647516  0.11813557  0.48754152
   0.56478647  0.13335724  0.41267609
   0.59447058  0.08569211  0.61021280
   0.89486603  0.21460036  0.81019042
   0.64957093  0.33307370  0.53363230
   0.88964746  0.44576773  0.83188576
   0.95101288  0.34948437  0.64638476
   0.69458340  0.45193345  0.73026702
   0.80779813  0.08534048  0.98869285
   0.56197302  0.12289221  0.91238562
   0.60388938  0.57453762  0.10905437
   0.79668616  0.69278816  0.29904266
   0.63825206  0.82305776  0.01948032
   0.87264521  0.92721307  0.36101241
   0.95222181  0.83939182  0.17953264
   0.68143626  0.88217410  0.21595838
   0.82343878  0.66100673  0.48373689
   0.56712541  0.60835180  0.40253220
   0.58204027  0.59350360  0.58748943
   0.86076139  0.70492767  0.79579305
   0.61283193  0.81817197  0.46861443
   0.92376555  0.93918829  0.85023591
   0.94693099  0.86677128  0.65712708
   0.70184504  0.91729243  0.77558087
   0.81297515  0.60983075  0.97672413
   0.55791102  0.63510229  0.90924464
   0.75488044  0.86640615  0.62170998
   0.56734031  0.89010788  0.50926638
   0.84253993  0.18701529  0.10339897
   0.78440245  0.43883279  0.29135166
   0.30059792  0.06022746  0.64960329
   0.26872804  0.72125725  0.77161474
   0.07875780  0.99025791  0.28382346
   0.11044780  0.90840028 -0.05651190
   0.69519775  0.22517575  0.72429476
   0.91571907  0.25242867  0.63386174
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.771713   -0.014555   -0.059983
    -0.000000    9.878410    0.000970
    -0.000000   -0.000000   13.767403
   Si   O    H 
    32    64    10
Direct configuration=    41
   0.15930383  0.13389345  0.01095035
   0.40927758  0.08940362  0.38028832
   0.14364683  0.39830500  0.12546897
   0.38677074  0.34654218  0.26326992
   0.13917064  0.16135868  0.50799666
   0.39730038  0.10215231  0.88556235
   0.10784812  0.41143004  0.61958074
   0.34817199  0.36069763  0.76073554
   0.14943421  0.65902852  0.00255962
   0.40117835  0.58748292  0.37627435
   0.10131401  0.90216503  0.14957581
   0.37478489  0.83221250  0.26648708
   0.12816755  0.66129885  0.49104334
   0.40146150  0.60029613  0.88087869
   0.09853380  0.90751172  0.61914215
   0.34975828  0.94581339  0.71223494
   0.64740638  0.15320368  1.00781450
   0.88642070  0.08611896  0.38554753
   0.62919846  0.40975933  0.12371164
   0.86856176  0.24932843  0.19372889
   0.64455604  0.17020751  0.51046916
   0.90687776  0.09552468  0.89325413
   0.60312275  0.42984535  0.63206671
   0.80416475  0.33170609  0.75553565
   0.65462284  0.65168158  0.00305034
   0.87538461  0.60822983  0.38208928
   0.58356931  0.90660727  0.11793362
   0.83334460  0.84186076  0.25517129
   0.65361497  0.66206023  0.49344664
   0.89455893  0.59378535  0.87588828
   0.64741633  0.93953910  0.66093192
   0.85768577  0.85893170  0.75800523
   0.09217484  0.04771693  0.10433638
   0.34794946  0.18374886  0.28758042
   0.18922118  0.29874088  0.03528370
   0.40555680  0.41977821  0.36783616
   0.49916767  0.33833108  0.18132467
   0.25115422  0.40376646  0.21242307
   0.30330884  0.12321355  0.47096547
   0.04594552  0.13148015  0.41393999
   0.08572387  0.07451443  0.60550698
   0.33205926  0.20809145  0.80014268
   0.15489262  0.32430801  0.52631505
   0.39084106  0.44003246  0.84949405
   0.45404436  0.36703482  0.66962352
   0.20585840  0.40521016  0.71355088
   0.30614326  0.08573318 -0.01628272
   0.05222096  0.14303967  0.92075920
   0.12762911  0.54037565  0.08298915
   0.36937332  0.67674909  0.28045403
   0.13981540  0.79952282  0.06008356
   0.40817849  0.92245373  0.36996052
   0.43912615  0.87246336  0.15892360
   0.23156860  0.87595921  0.23156657
   0.28814783  0.63340994  0.45015325
   0.04000649  0.63785202  0.38820263
   0.09232982  0.57071273  0.58389576
   0.36449749  0.69802553  0.78406341
   0.12355781  0.82164537  0.51619613
   0.38125490  0.96106407  0.83538575
   0.49026563  0.87641232  0.67410524
   0.21358002  0.84796484  0.70190975
   0.30161085  0.61583774 -0.02724823
   0.04599152  0.62236149  0.92128879
   0.60367668  0.07712079  0.11264325
   0.83978568  0.18956709  0.29690648
   0.66618724  0.32188070  0.01999719
   0.82870123  0.45335315  0.35354387
   0.00939424  0.34582657  0.18340427
   0.75469991  0.39707208  0.20182677
   0.79665971  0.11870147  0.48732964
   0.56481283  0.13244439  0.41290542
   0.59623747  0.08535932  0.60968547
   0.89531309  0.21576897  0.81102091
   0.65224557  0.33176439  0.53474519
   0.89009717  0.44545766  0.83214042
   0.94979513  0.34987146  0.64630465
   0.69284939  0.45206816  0.73159414
   0.80741035  0.08646496  0.98982590
   0.56258321  0.12206109  0.91338084
   0.60403119  0.57327383  0.10725695
   0.79671383  0.69364290  0.29940958
   0.63733291  0.82198998  0.01979135
   0.87342346  0.92488399  0.36308684
   0.95277667  0.83944383  0.17916660
   0.68057903  0.88145401  0.21568314
   0.82335485  0.66186823  0.48362052
   0.56702611  0.60770884  0.40293162
   0.58218769  0.59392368  0.58693845
   0.86153254  0.70240408  0.79455603
   0.61092441  0.81663438  0.46982979
   0.92519286  0.93963224  0.84955836
   0.94831660  0.86776490  0.65734357
   0.70289072  0.91755048  0.77594060
   0.81212116  0.61028460  0.97569792
   0.55868745  0.63592624  0.90958266
   0.74790521  0.86287903  0.61905769
   0.57221182  0.89042491  0.50967988
   0.85021624  0.19124933  0.10442509
   0.78414599  0.43741598  0.28650674
   0.29988330  0.07016891  0.65172726
   0.25918305  0.71657861  0.76542792
   0.06813539  0.98782987  0.28172087
   0.11865759  0.91308103 -0.05111557
   0.69344002  0.22702592  0.72305581
   0.92642727  0.26244231  0.63906513
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.771795   -0.016006   -0.061383
    -0.000000    9.879029    0.000381
    -0.000000   -0.000000   13.766308
   Si   O    H 
    32    64    10
Direct configuration=    42
   0.16052322  0.13339369  0.01226110
   0.40900110  0.08874229  0.38050258
   0.14391679  0.39908631  0.12452140
   0.38700043  0.34525191  0.26355013
   0.13992670  0.16117715  0.50832522
   0.39692005  0.10132713  0.88601686
   0.10669544  0.41145198  0.62030046
   0.34684104  0.36059246  0.76069825
   0.14811897  0.65934546  0.00128549
   0.39988272  0.58686207  0.37650247
   0.10173418  0.90223871  0.14967768
   0.37661410  0.83250757  0.26612658
   0.12829785  0.66095669  0.49149809
   0.40326407  0.60126718  0.87995040
   0.09948370  0.90531750  0.61853066
   0.34899460  0.94587159  0.71261131
   0.64697003  0.15349272  1.00789390
   0.88558993  0.08759533  0.38681561
   0.62939648  0.41085049  0.12276798
   0.86689028  0.24862433  0.19421106
   0.64514373  0.16906842  0.51138007
   0.90681420  0.09432438  0.89276748
   0.60280520  0.43257999  0.63220850
   0.80331649  0.33294417  0.75626561
   0.65512288  0.65185343  0.00246640
   0.87494432  0.60643613  0.38248010
   0.58248089  0.90726481  0.11771946
   0.83473364  0.84138471  0.25533947
   0.65467707  0.66214707  0.49312673
   0.89607444  0.59435119  0.87548701
   0.64718230  0.93921206  0.66115818
   0.85794208  0.85923205  0.75883866
   0.09324719  0.04726247  0.10618214
   0.34585203  0.18324865  0.28732009
   0.18875915  0.29910628  0.03313332
   0.40437738  0.41900888  0.36928055
   0.49996856  0.34000242  0.18327235
   0.25015274  0.40521462  0.21409688
   0.30283238  0.12421636  0.47056451
   0.04464177  0.12973364  0.41494161
   0.08527357  0.07394378  0.60682519
   0.33194923  0.20811034  0.80062125
   0.15648341  0.32329414  0.52537182
   0.39038888  0.44148766  0.84899607
   0.45571708  0.36554585  0.66845164
   0.20428820  0.40566591  0.71440117
   0.30710950  0.08697827 -0.01528535
   0.05244898  0.14441531  0.91885060
   0.12831757  0.54015865  0.08145609
   0.36914461  0.67595788  0.28054390
   0.13949181  0.79874743  0.06129135
   0.41005962  0.92183657  0.36989541
   0.44079009  0.87507066  0.15757839
   0.23253987  0.87595773  0.23108485
   0.28709585  0.63218356  0.44969172
   0.04150597  0.63808346  0.38874791
   0.09218155  0.57016166  0.58562365
   0.36510727  0.69952079  0.78317538
   0.12147015  0.82227728  0.51751866
   0.37959416  0.96185406  0.83379629
   0.49105099  0.87796087  0.67425250
   0.21152525  0.84887888  0.70037722
   0.30193354  0.61668623 -0.02767034
   0.04659883  0.62395650  0.92239720
   0.60486289  0.07728297  0.11263860
   0.83791042  0.18941116  0.29695745
   0.66687515  0.32365098  0.01945863
   0.82853994  0.45569863  0.35329274
   0.01094208  0.34466904  0.18241883
   0.75503476  0.39603088  0.19990476
   0.79737104  0.11869754  0.48724597
   0.56431891  0.13120489  0.41275582
   0.59744739  0.08468032  0.60942030
   0.89549016  0.21705906  0.81203700
   0.65390003  0.33097994  0.53685200
   0.89053383  0.44443447  0.83222996
   0.94791896  0.35183586  0.64611677
   0.69052901  0.45244468  0.73242856
   0.80614086  0.08616832  0.99114519
   0.56264397  0.12078075  0.91441790
   0.60516846  0.57190208  0.10515557
   0.79631303  0.69440307  0.29935029
   0.63582255  0.82104318  0.01984813
   0.87414804  0.92313160  0.36441336
   0.95369790  0.83874253  0.17891865
   0.68035531  0.88119401  0.21566120
   0.82282656  0.66239450  0.48388706
   0.56716297  0.60643606  0.40301295
   0.58218459  0.59338108  0.58701904
   0.86186215  0.69986957  0.79318139
   0.60915525  0.81577191  0.47117892
   0.92685812  0.94100427  0.84920453
   0.94962406  0.86839109  0.65786395
   0.70394834  0.91782468  0.77614000
   0.81085978  0.61010741  0.97507832
   0.55894671  0.63665457  0.91016718
   0.74359469  0.85523368  0.61204647
   0.57692253  0.88530180  0.50674825
   0.85578943  0.19076504  0.10200265
   0.78852581  0.43619754  0.28278424
   0.30291521  0.07539900  0.65566821
   0.25929497  0.71103991  0.76181555
   0.05897016  0.98353346  0.28069475
   0.12212177  0.91642261 -0.04644056
   0.69654789  0.22996679  0.72464890
   0.93708119  0.25172674  0.63784399
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.771898   -0.017510   -0.062204
    -0.000000    9.880416   -0.000401
    -0.000000   -0.000000   13.765133
   Si   O    H 
    32    64    10
Direct configuration=    43
   0.16133493  0.13296412  0.01374527
   0.40811682  0.08881294  0.38104711
   0.14451255  0.39881457  0.12343751
   0.38708926  0.34458274  0.26419022
   0.14070793  0.16073117  0.50887527
   0.39649602  0.10037292  0.88646986
   0.10544495  0.41165058  0.62082605
   0.34565959  0.35980230  0.76057130
   0.14714004  0.65943286  0.00093889
   0.39884503  0.58650899  0.37700912
   0.10163395  0.90232711  0.15037269
   0.37802783  0.83266507  0.26587510
   0.12888515  0.66066787  0.49181916
   0.40517731  0.60166767  0.87898825
   0.10065803  0.90358937  0.61791465
   0.34773845  0.94671822  0.71312968
   0.64707214  0.15387544  1.00793309
   0.88497383  0.08908535  0.38756135
   0.62932598  0.41185536  0.12161051
   0.86620070  0.24882995  0.19431886
   0.64611699  0.16812386  0.51242853
   0.90618532  0.09256521  0.89226388
   0.60236733  0.43512905  0.63211359
   0.80300494  0.33418861  0.75711970
   0.65623224  0.65262059  0.00199918
   0.87496430  0.60517625  0.38242927
   0.58214285  0.90813628  0.11760427
   0.83573600  0.84127582  0.25564632
   0.65625350  0.66171418  0.49298469
   0.89736782  0.59468477  0.87551894
   0.64694907  0.93900504  0.66162696
   0.85871622  0.85930626  0.75945042
   0.09403457  0.04684543  0.10794139
   0.34461300  0.18252486  0.28679841
   0.18826959  0.29945380  0.03145200
   0.40390006  0.41811554  0.37094766
   0.50120929  0.34175316  0.18484472
   0.24966890  0.40646789  0.21505087
   0.30116870  0.12518578  0.47112843
   0.04297965  0.12804403  0.41621876
   0.08396393  0.07318487  0.60771008
   0.33152265  0.20765686  0.80101996
   0.15796979  0.32300207  0.52426213
   0.39047391  0.44320535  0.84918839
   0.45742518  0.36418522  0.66761901
   0.20270182  0.40652628  0.71509547
   0.30844426  0.08837562 -0.01475297
   0.05422330  0.14590796  0.91710170
   0.12836382  0.54044759  0.07979528
   0.36866868  0.67437884  0.28023352
   0.13917168  0.79743287  0.06209052
   0.41190426  0.92121760  0.36962639
   0.44131897  0.87730669  0.15700556
   0.23330135  0.87671352  0.22990795
   0.28570756  0.63147645  0.44918238
   0.04258436  0.63835903  0.38955236
   0.09221045  0.56835830  0.58742830
   0.36492816  0.69980906  0.78252659
   0.11968751  0.82303006  0.51849434
   0.37746262  0.96180178  0.83178392
   0.49096058  0.87915454  0.67362263
   0.21028128  0.84945899  0.69841045
   0.30163297  0.61719722 -0.02826893
   0.04676928  0.62579118  0.92281183
   0.60520977  0.07826922  0.11240312
   0.83715736  0.18806990  0.29757375
   0.66726817  0.32526316  0.01935407
   0.82864744  0.45767212  0.35348141
   0.01193490  0.34308898  0.18104600
   0.75671537  0.39428816  0.19757811
   0.79797136  0.11888052  0.48680775
   0.56314168  0.12994409  0.41229073
   0.59886875  0.08386036  0.60976641
   0.89577329  0.21692807  0.81386852
   0.65521088  0.33067248  0.53934042
   0.89086818  0.44383099  0.83225340
   0.94568263  0.35327217  0.64550198
   0.68863328  0.45292893  0.73309699
   0.80540160  0.08563710  0.99245522
   0.56225172  0.11993108  0.91563521
   0.60655834  0.57043480  0.10289772
   0.79598823  0.69502229  0.29878925
   0.63432955  0.82012667  0.02062440
   0.87457702  0.92208522  0.36555545
   0.95494489  0.83790631  0.17852528
   0.68041594  0.88062921  0.21577840
   0.82242418  0.66252870  0.48406487
   0.56649309  0.60485262  0.40277578
   0.58297093  0.59189551  0.58739041
   0.86238630  0.69719956  0.79254860
   0.60694519  0.81480427  0.47215391
   0.92857571  0.94207267  0.84878058
   0.95047685  0.86855737  0.65814609
   0.70606996  0.91833918  0.77624860
   0.80879307  0.60894394  0.97461504
   0.55879364  0.63727323  0.91050885
   0.73669496  0.85304451  0.60603236
   0.57834922  0.88805591  0.50967757
   0.85985931  0.18848649  0.10391281
   0.79109433  0.44061999  0.27823597
   0.30766827  0.07319716  0.66262538
   0.26948456  0.70241283  0.76375223
   0.04833797  0.97873077  0.27534334
   0.12707767  0.92045578 -0.04625204
   0.69318436  0.23267254  0.72571300
   0.94391123  0.24512543  0.63635571
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772018   -0.019522   -0.063291
    -0.000000    9.881483   -0.000743
    -0.000000   -0.000000   13.763974
   Si   O    H 
    32    64    10
Direct configuration=    44
   0.16176515  0.13291008  0.01470073
   0.40695364  0.08919936  0.38157568
   0.14521015  0.39862892  0.12223358
   0.38692164  0.34295249  0.26494751
   0.14157420  0.16056301  0.50913152
   0.39572787  0.09942344  0.88726127
   0.10463326  0.41176920  0.62133705
   0.34468717  0.35872357  0.76015591
   0.14712544  0.65954037  0.00120655
   0.39807334  0.58599187  0.37778518
   0.10176013  0.90196645  0.15120253
   0.37963300  0.83291595  0.26602072
   0.12976499  0.66064944  0.49217816
   0.40666440  0.60223073  0.87829069
   0.10165348  0.90174955  0.61742144
   0.34676673  0.94686211  0.71355609
   0.64812263  0.15427046  1.00803025
   0.88490279  0.08993366  0.38824780
   0.62891944  0.41201803  0.12091844
   0.86674136  0.24994584  0.19415267
   0.64635350  0.16800125  0.51319729
   0.90578287  0.09046024  0.89202876
   0.60222615  0.43661180  0.63219105
   0.80254632  0.33557412  0.75820664
   0.65704461  0.65389804  0.00152969
   0.87488893  0.60471352  0.38230966
   0.58265475  0.90891399  0.11758607
   0.83584803  0.84131083  0.25622166
   0.65809348  0.66217653  0.49282671
   0.89834378  0.59454879  0.87553879
   0.64703982  0.93849499  0.66162822
   0.85913420  0.85875993  0.75966107
   0.09535995  0.04721894  0.10923845
   0.34435095  0.18208530  0.28536762
   0.18830712  0.29969320  0.03011220
   0.40281425  0.41715364  0.37240930
   0.50384063  0.34335205  0.18658406
   0.24888478  0.40793434  0.21547586
   0.29961069  0.12591898  0.47123600
   0.04118542  0.12742521  0.41699485
   0.08247416  0.07217163  0.60873358
   0.33160364  0.20689015  0.80171427
   0.15931408  0.32309048  0.52353700
   0.39146428  0.44500762  0.84987387
   0.45864257  0.36272084  0.66668998
   0.20131871  0.40765658  0.71532079
   0.31045769  0.08944890 -0.01479433
   0.05649701  0.14806471  0.91580753
   0.12738297  0.54161166  0.07842559
   0.36820960  0.67267499  0.27957735
   0.13856733  0.79590462  0.06322954
   0.41348542  0.92016218  0.36866075
   0.44054583  0.87915209  0.15665161
   0.23310293  0.87809012  0.22811991
   0.28366570  0.63113075  0.44938578
   0.04335155  0.63863153  0.39003417
   0.09255526  0.56627835  0.58845395
   0.36537163  0.70021399  0.78177019
   0.11907534  0.82297440  0.51866126
   0.37500985  0.96126213  0.83007666
   0.49032024  0.87981482  0.67308646
   0.20885849  0.84962336  0.69699070
   0.30220711  0.61810362 -0.02890237
   0.04613220  0.62659852  0.92242003
   0.60566414  0.07982642  0.11253281
   0.83646772  0.18733322  0.29788783
   0.66779802  0.32664791  0.01962232
   0.82851439  0.45893435  0.35351529
   0.01307922  0.34185025  0.17956087
   0.75872722  0.39331308  0.19546994
   0.79894238  0.11928561  0.48642104
   0.56210120  0.12989895  0.41127533
   0.60024138  0.08329112  0.61021523
   0.89590511  0.21671827  0.81583193
   0.65671987  0.33058320  0.54203352
   0.89047895  0.44372428  0.83280745
   0.94493378  0.35429069  0.64450076
   0.68670281  0.45475260  0.73428854
   0.80468051  0.08606635  0.99294018
   0.56152027  0.11877193  0.91645405
   0.60758850  0.56851501  0.10124924
   0.79588907  0.69549474  0.29827768
   0.63274633  0.81866810  0.02140624
   0.87551066  0.92205198  0.36580139
   0.95636396  0.83778987  0.17819661
   0.68147547  0.87968753  0.21584394
   0.82169493  0.66277244  0.48418424
   0.56594218  0.60245971  0.40218249
   0.58373866  0.59030201  0.58816213
   0.86255927  0.69522675  0.79113547
   0.60460073  0.81297137  0.47283703
   0.93093449  0.94246563  0.84869505
   0.95050237  0.86880021  0.65827968
   0.70754545  0.91839487  0.77627053
   0.80721519  0.60760007  0.97436472
   0.55849278  0.63725010  0.91044519
   0.73169273  0.85333711  0.60270677
   0.57751171  0.89623900  0.51734251
   0.86170750  0.18954153  0.10577952
   0.79119167  0.44682258  0.27438676
   0.30947535  0.06560919  0.66950810
   0.27828907  0.69486719  0.76859604
   0.03853099  0.97455876  0.26664182
   0.13353122  0.92019773 -0.04623568
   0.68400355  0.23601504  0.72340005
   0.94928763  0.24846514  0.63675138
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772615   -0.021692   -0.064721
    -0.000000    9.883052   -0.001102
    -0.000000   -0.000000   13.762397
   Si   O    H 
    32    64    10
Direct configuration=    45
   0.16124552  0.13298670  0.01522587
   0.40610172  0.08962697  0.38238068
   0.14633275  0.39828967  0.12183988
   0.38659118  0.34109093  0.26582964
   0.14253557  0.16056355  0.50906014
   0.39472134  0.09880670  0.88819861
   0.10343856  0.41166404  0.62162676
   0.34387241  0.35779336  0.75953933
   0.14739689  0.66027456  0.00226989
   0.39754336  0.58552263  0.37842537
   0.10199478  0.90181859  0.15203658
   0.38128378  0.83363640  0.26644668
   0.13033448  0.66081274  0.49254857
   0.40796284  0.60298566  0.87776064
   0.10308314  0.90048298  0.61689098
   0.34654387  0.94570328  0.71373612
   0.64991162  0.15497780  1.00783462
   0.88530888  0.09051158  0.38871106
   0.62868497  0.41155339  0.12029935
   0.86761137  0.25097029  0.19365726
   0.64684294  0.16781165  0.51395324
   0.90494118  0.08922844  0.89204188
   0.60139830  0.43801466  0.63231855
   0.80130078  0.33673409  0.75873578
   0.65799378  0.65530047  0.00101721
   0.87453342  0.60492473  0.38251265
   0.58401217  0.91004932  0.11747076
   0.83674872  0.84102930  0.25700314
   0.65971586  0.66187697  0.49282366
   0.89945092  0.59377059  0.87561156
   0.64707615  0.93761246  0.66183645
   0.85949151  0.85761696  0.75960809
   0.09745998  0.04761723  0.10958411
   0.34462247  0.18098732  0.28394571
   0.18884957  0.30023413  0.02929393
   0.40225187  0.41622787  0.37374188
   0.50678724  0.34475106  0.18795319
   0.24812473  0.40925245  0.21542873
   0.29788118  0.12578065  0.47070727
   0.03954172  0.12719073  0.41734857
   0.08141315  0.07129934  0.60843320
   0.33168988  0.20560498  0.80290923
   0.16019522  0.32319378  0.52308885
   0.39321672  0.44683884  0.85057539
   0.45928295  0.36147983  0.66667570
   0.20015426  0.40875603  0.71555527
   0.31212099  0.09078972 -0.01524892
   0.05945694  0.14977190  0.91536713
   0.12651789  0.54279687  0.07830289
   0.36751287  0.67083327  0.27961362
   0.13898630  0.79407556  0.06432074
   0.41462405  0.91891541  0.36690603
   0.43885570  0.88054827  0.15671888
   0.23279237  0.87983893  0.22597107
   0.28195189  0.63068406  0.45008653
   0.04407507  0.63919027  0.39034787
   0.09213415  0.56383818  0.58984917
   0.36722727  0.70070255  0.78155053
   0.11792450  0.82296192  0.51851734
   0.37278008  0.96066512  0.82891651
   0.48970832  0.88064478  0.67250883
   0.20809548  0.84947934  0.69602921
   0.30351119  0.61924982 -0.03005596
   0.04458801  0.62715490  0.92157750
   0.60577817  0.08194669  0.11203391
   0.83609963  0.18644212  0.29767989
   0.66837297  0.32724008  0.01988557
   0.82880701  0.45988253  0.35380766
   0.01345045  0.34111225  0.17804921
   0.76139616  0.39250592  0.19426884
   0.79967987  0.11934942  0.48633701
   0.56120181  0.12963610  0.41109411
   0.60144345  0.08322621  0.61064955
   0.89571579  0.21554036  0.81771627
   0.65776297  0.33107157  0.54428536
   0.89076990  0.44308655  0.83364160
   0.94435309  0.35496347  0.64366772
   0.68499765  0.45731774  0.73544910
   0.80346165  0.08652653  0.99336441
   0.56062512  0.11791717  0.91667245
   0.60893255  0.56807680  0.09963930
   0.79624703  0.69513489  0.29775815
   0.63222627  0.81736494  0.02169990
   0.87605990  0.92187440  0.36594944
   0.95761208  0.83715047  0.17764899
   0.68327781  0.87774037  0.21570834
   0.82179051  0.66311086  0.48448772
   0.56499735  0.60060215  0.40163085
   0.58466453  0.58911583  0.58856590
   0.86200142  0.69419706  0.79005657
   0.60253184  0.81311096  0.47355351
   0.93336229  0.94230134  0.84828514
   0.94974931  0.86936849  0.65878756
   0.70894194  0.91833816  0.77568045
   0.80494767  0.60737827  0.97414697
   0.55910152  0.63777390  0.90959593
   0.71887199  0.85773265  0.60154061
   0.57789258  0.88758682  0.51579779
   0.86379065  0.18894334  0.10734582
   0.79160408  0.45364075  0.27413375
   0.30840712  0.06602695  0.67377158
   0.26845126  0.69016484  0.76998169
   0.03228138  0.97575008  0.25897670
   0.13940192  0.91993776 -0.04679352
   0.67548855  0.23908589  0.72018446
   0.94972338  0.25684421  0.63920862
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.773337   -0.024453   -0.065824
    -0.000000    9.884662   -0.001324
    -0.000000   -0.000000   13.760398
   Si   O    H 
    32    64    10
Direct configuration=    46
   0.16071691  0.13366136  0.01558116
   0.40525289  0.09024973  0.38310385
   0.14714441  0.39791347  0.12171534
   0.38557683  0.33889459  0.26628883
   0.14354205  0.16028893  0.50854469
   0.39389219  0.09773913  0.88855536
   0.10242775  0.41049343  0.62158030
   0.34338644  0.35684085  0.75856413
   0.14849218  0.66158671  0.00309147
   0.39789270  0.58530811  0.37921308
   0.10190022  0.90180608  0.15291772
   0.38235876  0.83463393  0.26667042
   0.13029569  0.66096978  0.49281131
   0.40939585  0.60348141  0.87742827
   0.10369588  0.90029510  0.61617479
   0.34668145  0.94407425  0.71390745
   0.65186009  0.15556905  1.00791544
   0.88589727  0.09028630  0.38899242
   0.62820393  0.41125584  0.11941872
   0.86878963  0.25208850  0.19313717
   0.64693991  0.16800664  0.51425643
   0.90440928  0.08890567  0.89222981
   0.60109112  0.43890723  0.63242774
   0.79988912  0.33707669  0.75957544
   0.65878966  0.65672969  0.00059689
   0.87407420  0.60589215  0.38253459
   0.58617470  0.91147263  0.11742546
   0.83729751  0.84077385  0.25805665
   0.66055351  0.66090476  0.49292921
   0.90052807  0.59293807  0.87568608
   0.64683699  0.93675419  0.66218982
   0.86012475  0.85665214  0.75906075
   0.09955041  0.04882925  0.10935259
   0.34540312  0.17987249  0.28264451
   0.18899393  0.29982396  0.02894269
   0.40255240  0.41626642  0.37442963
   0.50980885  0.34586962  0.18866579
   0.24797583  0.41119454  0.21499083
   0.29711619  0.12557956  0.47066050
   0.03924816  0.12737541  0.41812997
   0.08018386  0.07112540  0.60799726
   0.33186034  0.20536695  0.80433883
   0.16092822  0.32385465  0.52288911
   0.39407252  0.44801448  0.85079067
   0.45966091  0.36114631  0.66689969
   0.19949870  0.40936805  0.71567097
   0.31390193  0.09269819 -0.01540701
   0.06340805  0.15115017  0.91592060
   0.12567255  0.54402559  0.07875735
   0.36672626  0.66820916  0.27935265
   0.13931496  0.79209074  0.06526144
   0.41499639  0.91847461  0.36557505
   0.43601577  0.88163263  0.15696186
   0.23143067  0.88183708  0.22362045
   0.27970681  0.63034731  0.45081801
   0.04387330  0.63979899  0.39110420
   0.09298731  0.56290456  0.59063927
   0.36895826  0.70070391  0.78195832
   0.11689490  0.82305791  0.51832203
   0.37091483  0.95995840  0.82867920
   0.48986482  0.88194134  0.67188093
   0.20724919  0.84856902  0.69537344
   0.30480251  0.62025700 -0.03157302
   0.04283322  0.62826392  0.92044436
   0.60630123  0.08399724  0.11192923
   0.83513698  0.18520791  0.29741998
   0.66866436  0.32756217  0.02006814
   0.82871678  0.45999603  0.35447250
   0.01286515  0.34012477  0.17712103
   0.76422292  0.39220037  0.19331187
   0.80072707  0.11929539  0.48608005
   0.56095989  0.12915747  0.41157340
   0.60293520  0.08229916  0.61068283
   0.89484980  0.21464476  0.81962722
   0.65910175  0.33173261  0.54642472
   0.89147966  0.44270616  0.83425792
   0.94376199  0.35622686  0.64255123
   0.68308821  0.46034286  0.73609857
   0.80203749  0.08692057  0.99297725
   0.55861994  0.11671274  0.91665671
   0.61008840  0.56800125  0.09795041
   0.79715292  0.69491471  0.29701754
   0.63166088  0.81613212  0.02198070
   0.87688954  0.92211240  0.36601858
   0.95860253  0.83623464  0.17724372
   0.68446957  0.87595922  0.21534866
   0.82269094  0.66317329  0.48479136
   0.56327955  0.59921054  0.40101481
   0.58515217  0.58867423  0.58900284
   0.86160945  0.69356239  0.78895788
   0.60035532  0.81363948  0.47436308
   0.93502630  0.94155433  0.84689156
   0.94929966  0.86994469  0.65970014
   0.70971041  0.91821773  0.77445727
   0.80332966  0.60780291  0.97352711
   0.56012535  0.63767812  0.90837681
   0.70562826  0.86118490  0.60239303
   0.58209732  0.87709206  0.51432847
   0.86266458  0.18773580  0.10702918
   0.79201350  0.45715497  0.27531393
   0.30448672  0.07270737  0.67588392
   0.26302552  0.68779431  0.77101912
   0.03182991  0.98208833  0.25006229
   0.13839782  0.92111480 -0.04854194
   0.67265946  0.24616737  0.71802158
   0.94537238  0.25708194  0.64161124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774210   -0.026036   -0.067041
    -0.000000    9.886451   -0.001443
    -0.000000   -0.000000   13.758517
   Si   O    H 
    32    64    10
Direct configuration=    47
   0.16043081  0.13421774  0.01576102
   0.40453062  0.09070774  0.38317083
   0.14789444  0.39798046  0.12186670
   0.38485400  0.33699144  0.26647339
   0.14404340  0.16013763  0.50783415
   0.39321581  0.09745941  0.88877464
   0.10188568  0.40867611  0.62108319
   0.34365819  0.35593013  0.75765027
   0.14947540  0.66234800  0.00401836
   0.39819510  0.58572796  0.37993171
   0.10246718  0.90178985  0.15395668
   0.38351160  0.83507160  0.26665194
   0.12999243  0.66075147  0.49340147
   0.41038669  0.60427465  0.87778807
   0.10368669  0.90081257  0.61534044
   0.34697694  0.94259813  0.71386550
   0.65367272  0.15628691  1.00803509
   0.88652130  0.08971433  0.38907484
   0.62751472  0.41097842  0.11922458
   0.87030122  0.25307900  0.19240225
   0.64755901  0.16842236  0.51422721
   0.90414396  0.08876680  0.89292347
   0.60051716  0.43953883  0.63273620
   0.79855452  0.33713140  0.76015865
   0.65896854  0.65800315  0.00032060
   0.87364126  0.60761144  0.38211121
   0.58850944  0.91316296  0.11765200
   0.83781734  0.84108716  0.25962732
   0.66124670  0.66018708  0.49311240
   0.90098165  0.59248504  0.87569241
   0.64656020  0.93589067  0.66240850
   0.86022218  0.85543174  0.75817762
   0.10173174  0.05114566  0.10881975
   0.34648370  0.17859077  0.28177849
   0.19007924  0.29878435  0.02930844
   0.40329572  0.41635452  0.37503254
   0.51289120  0.34795526  0.18963093
   0.24771244  0.41273544  0.21440512
   0.29646081  0.12408172  0.47069795
   0.04021754  0.12859754  0.41857948
   0.07954390  0.07149821  0.60788687
   0.33217548  0.20472305  0.80579839
   0.16117953  0.32489991  0.52296775
   0.39478013  0.44858524  0.85048783
   0.45998315  0.36074010  0.66681429
   0.19911547  0.40972042  0.71582365
   0.31513638  0.09490025 -0.01501712
   0.06741003  0.15204043  0.91676053
   0.12400700  0.54521423  0.07977082
   0.36549727  0.66586277  0.27907212
   0.14020463  0.79139182  0.06566949
   0.41551946  0.91860606  0.36447546
   0.43364771  0.88250247  0.15685844
   0.23014466  0.88394067  0.22220105
   0.27755289  0.62993802  0.45172983
   0.04371015  0.63934873  0.39152143
   0.09405896  0.56284496  0.59081056
   0.36966382  0.70149524  0.78200730
   0.11547768  0.82337716  0.51758508
   0.36978365  0.95978353  0.82888487
   0.48881691  0.88280664  0.67117102
   0.20691972  0.84731594  0.69569542
   0.30608566  0.62071269 -0.03301738
   0.04159654  0.62965544  0.91861758
   0.60727717  0.08540506  0.11154059
   0.83484356  0.18371184  0.29731201
   0.66885380  0.32791419  0.02063805
   0.82926286  0.45968359  0.35491625
   0.01243288  0.33956775  0.17642159
   0.76716679  0.39241718  0.19256387
   0.80083171  0.11951698  0.48607540
   0.56072305  0.12901911  0.41246366
   0.60593526  0.08291429  0.61090442
   0.89330120  0.21369490  0.82114332
   0.66049807  0.33200512  0.54846160
   0.89203661  0.44182785  0.83467153
   0.94245364  0.35772359  0.64122886
   0.68132249  0.46333702  0.73702140
   0.80167262  0.08670359  0.99275102
   0.55640007  0.11453758  0.91723909
   0.61114098  0.56846362  0.09618709
   0.79871190  0.69420864  0.29607275
   0.63173503  0.81518247  0.02231192
   0.87793789  0.92180039  0.36566986
   0.95938847  0.83413082  0.17703635
   0.68605514  0.87327409  0.21508968
   0.82423144  0.66348417  0.48529566
   0.56142318  0.59801437  0.40029497
   0.58579664  0.58886276  0.58985585
   0.86021585  0.69374438  0.78827951
   0.59816549  0.81356249  0.47457926
   0.93728023  0.94011744  0.84574755
   0.94867654  0.87020711  0.66092066
   0.71060087  0.91821713  0.77325558
   0.80202321  0.60810705  0.97292140
   0.56108462  0.63707968  0.90732492
   0.69863741  0.86119923  0.59803106
   0.58259587  0.88297759  0.52259482
   0.85813355  0.18262938  0.10486444
   0.79049597  0.45846422  0.27825951
   0.30082062  0.07432747  0.67772670
   0.26936700  0.68926829  0.77362371
   0.03421638  0.99326829  0.24330314
   0.13693413  0.91847331 -0.05006095
   0.67322693  0.25273077  0.71621126
   0.93967550  0.25373756  0.64273537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.775250   -0.027288   -0.068725
    -0.000000    9.888248   -0.001687
    -0.000000   -0.000000   13.756737
   Si   O    H 
    32    64    10
Direct configuration=    48
   0.16033577  0.13533875  0.01577589
   0.40403435  0.09105726  0.38328468
   0.14885253  0.39742647  0.12162793
   0.38426367  0.33592915  0.26634860
   0.14444359  0.16011351  0.50692333
   0.39338914  0.09715017  0.88895286
   0.10136556  0.40696606  0.62046396
   0.34471037  0.35515492  0.75687633
   0.15139896  0.66304409  0.00457859
   0.39840753  0.58527611  0.38059453
   0.10282659  0.90167017  0.15468749
   0.38403869  0.83542443  0.26621070
   0.12988764  0.66050126  0.49367008
   0.41120985  0.60521401  0.87752576
   0.10296428  0.90149529  0.61476923
   0.34659665  0.94147312  0.71343486
   0.65492512  0.15784058  1.00806237
   0.88699130  0.08910649  0.38893597
   0.62698221  0.41090828  0.11929083
   0.87183760  0.25378370  0.19173328
   0.64770975  0.16944738  0.51409136
   0.90509567  0.08916581  0.89402267
   0.59986842  0.43906313  0.63279318
   0.79698799  0.33703821  0.76095870
   0.65870024  0.65918898  0.00006203
   0.87346695  0.60972533  0.38142119
   0.59065619  0.91436045  0.11787927
   0.83814096  0.84197689  0.26064456
   0.66142402  0.65935501  0.49304824
   0.90062730  0.59198960  0.87606810
   0.64676996  0.93514482  0.66257726
   0.85959733  0.85404403  0.75753464
   0.10396162  0.05359747  0.10735676
   0.34784950  0.17709228  0.28081455
   0.19096429  0.29765915  0.03006002
   0.40403738  0.41602892  0.37505340
   0.51503239  0.34965795  0.19020680
   0.24749666  0.41442642  0.21435523
   0.29602914  0.12260420  0.47060806
   0.04165360  0.12902981  0.41900689
   0.07864556  0.07147546  0.60769568
   0.33127287  0.20458001  0.80705777
   0.16181588  0.32564889  0.52361431
   0.39577600  0.44829893  0.84989864
   0.45851896  0.35966110  0.66717831
   0.19922580  0.40995548  0.71578022
   0.31590498  0.09614089 -0.01373714
   0.07082952  0.15216671  0.91834746
   0.12245583  0.54608636  0.08033454
   0.36448434  0.66362378  0.27829507
   0.14118746  0.79117749  0.06593924
   0.41643255  0.91924024  0.36314309
   0.43160944  0.88320848  0.15608609
   0.22963753  0.88601347  0.22177528
   0.27638676  0.62973390  0.45270247
   0.04281358  0.63841080  0.39192225
   0.09513437  0.56306742  0.59078423
   0.37014602  0.70256009  0.78225508
   0.11392041  0.82314467  0.51652770
   0.36914456  0.95974974  0.82944378
   0.48853024  0.88310224  0.67003795
   0.20789618  0.84578924  0.69666080
   0.30643084  0.62231719 -0.03423034
   0.04134508  0.63132665  0.91750471
   0.60765928  0.08722600  0.11144545
   0.83387231  0.18258617  0.29727108
   0.66786271  0.32745970  0.02082148
   0.82948566  0.45900302  0.35529589
   0.01173144  0.33931738  0.17635016
   0.76982815  0.39310477  0.19166864
   0.80035767  0.11938841  0.48577745
   0.56105529  0.12876468  0.41357282
   0.60900559  0.08288527  0.61100516
   0.89086950  0.21267435  0.82212477
   0.66276599  0.33269136  0.55085878
   0.89243163  0.44210179  0.83439351
   0.94094045  0.35848330  0.64037248
   0.67952802  0.46615428  0.73838668
   0.80214144  0.08676072  0.99264452
   0.55453166  0.11216753  0.91762775
   0.61154189  0.56952875  0.09454039
   0.80040633  0.69343468  0.29497718
   0.63144158  0.81553568  0.02308125
   0.87876869  0.92113774  0.36497325
   0.95899943  0.83287692  0.17665211
   0.68746189  0.87092707  0.21435507
   0.82484141  0.66365878  0.48602417
   0.56021837  0.59732422  0.40027088
   0.58709907  0.58950165  0.59049484
   0.85825084  0.69428903  0.78716793
   0.59670001  0.81271721  0.47495261
   0.93833445  0.93852936  0.84481894
   0.94832601  0.86936992  0.66198904
   0.71100575  0.91819707  0.77162399
   0.80142659  0.60866601  0.97175186
   0.56391957  0.63607733  0.90683821
   0.70116357  0.85507233  0.59076153
   0.58535029  0.88910915  0.53069835
   0.85439694  0.17894150  0.10399371
   0.78993544  0.45698410  0.28374732
   0.29688327  0.07134069  0.67751615
   0.28373555  0.69787516  0.77465669
   0.03975377  1.00887305  0.23999722
   0.13471821  0.91817063 -0.04822932
   0.67817101  0.25208056  0.71551835
   0.93216194  0.25636256  0.64137990
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.776588   -0.028488   -0.069789
    -0.000000    9.890342   -0.001795
    -0.000000   -0.000000   13.755374
   Si   O    H 
    32    64    10
Direct configuration=    49
   0.16045701  0.13691258  0.01536522
   0.40368939  0.09111409  0.38326667
   0.14936603  0.39646153  0.12134498
   0.38351164  0.33529607  0.26659085
   0.14437486  0.15993729  0.50610089
   0.39364369  0.09662311  0.88851663
   0.10047100  0.40567556  0.61972886
   0.34561306  0.35457179  0.75643798
   0.15310020  0.66321159  0.00534370
   0.39783197  0.58448461  0.38103780
   0.10266902  0.90177936  0.15537527
   0.38405788  0.83518435  0.26563751
   0.12994314  0.66032273  0.49372424
   0.41250170  0.60681550  0.87717896
   0.10260777  0.90205827  0.61438232
   0.34562474  0.94026885  0.71267566
   0.65578330  0.15888412  1.00844545
   0.88714752  0.08794935  0.38886175
   0.62685712  0.41041521  0.11937242
   0.87320405  0.25425349  0.19108498
   0.64839855  0.16991767  0.51368590
   0.90646100  0.08868326  0.89514143
   0.59945989  0.43767223  0.63308037
   0.79530952  0.33711615  0.76220925
   0.65892344  0.66050186 -0.00041371
   0.87391598  0.61187564  0.38072713
   0.59261687  0.91591585  0.11855098
   0.83871291  0.84328405  0.26159974
   0.66090157  0.65835085  0.49296895
   0.90007715  0.59136238  0.87616778
   0.64789065  0.93473795  0.66230150
   0.85966731  0.85217893  0.75687551
   0.10595951  0.05620798  0.10517792
   0.35005251  0.17589410  0.27985780
   0.19312571  0.29757568  0.03082968
   0.40501677  0.41541265  0.37408318
   0.51699767  0.35036674  0.19077177
   0.24694810  0.41538868  0.21401200
   0.29539104  0.12113703  0.47059890
   0.04387674  0.13040339  0.41954021
   0.07778012  0.07197966  0.60704581
   0.33041402  0.20548315  0.80831038
   0.16162500  0.32607941  0.52472493
   0.39645660  0.44757696  0.84960997
   0.45711731  0.35901207  0.66801340
   0.19978850  0.40947193  0.71564353
   0.31644039  0.09771169 -0.01226741
   0.07199928  0.15268310  0.91953183
   0.12142870  0.54571371  0.08109933
   0.36411297  0.66254564  0.27801607
   0.14279180  0.79072255  0.06670426
   0.41698126  0.92041340  0.36139196
   0.43142166  0.88401846  0.15507704
   0.22994321  0.88700843  0.22210217
   0.27669626  0.62878876  0.45383086
   0.04210155  0.63674266  0.39239745
   0.09555915  0.56270739  0.59058897
   0.37216841  0.70421042  0.78276035
   0.11305871  0.82350359  0.51549550
   0.36885037  0.95981407  0.82981013
   0.48788994  0.88355729  0.66925210
   0.20834002  0.84384943  0.69815550
   0.30595145  0.62422643 -0.03522003
   0.04244453  0.63327793  0.91732687
   0.60819983  0.08927955  0.11080902
   0.83343880  0.18203965  0.29714803
   0.66578631  0.32644151  0.02070120
   0.82939049  0.45860613  0.35573888
   0.01112793  0.33901571  0.17603283
   0.77294104  0.39349877  0.19122907
   0.80025383  0.11892728  0.48578969
   0.56156645  0.12846279  0.41479855
   0.61164299  0.08264601  0.61079303
   0.88859227  0.21238680  0.82292274
   0.66487656  0.33220422  0.55252445
   0.89250647  0.44228739  0.83407673
   0.94123497  0.35929051  0.64022349
   0.67753443  0.46886567  0.73986962
   0.80181668  0.08656618  0.99302730
   0.55333307  0.11014606  0.91764725
   0.61245262  0.56962048  0.09286284
   0.80191279  0.69253371  0.29396525
   0.63168504  0.81559847  0.02391311
   0.87988864  0.92056977  0.36426091
   0.95826123  0.83142953  0.17711862
   0.68868242  0.86848931  0.21343134
   0.82463798  0.66342192  0.48779994
   0.55914196  0.59685408  0.40000368
   0.58893525  0.59020759  0.59120696
   0.85678853  0.69451063  0.78652623
   0.59502680  0.81251125  0.47573275
   0.93934983  0.93810392  0.84427288
   0.94873011  0.86860814  0.66274639
   0.71101246  0.91864637  0.77045193
   0.80175202  0.60964351  0.97006627
   0.56647881  0.63509154  0.90576401
   0.70846664  0.85013631  0.59051681
   0.59410501  0.88148937  0.52683747
   0.84925879  0.17636008  0.10651017
   0.78738680  0.45207300  0.29059720
   0.29499154  0.06549121  0.67658378
   0.27414190  0.70860003  0.77091121
   0.04254772  1.02742805  0.24033164
   0.13002832  0.92035316 -0.04409832
   0.68103072  0.24652082  0.71543659
   0.92289987  0.25973289  0.64052736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.778592   -0.030132   -0.070693
    -0.000000    9.892577   -0.002079
    -0.000000   -0.000000   13.754027
   Si   O    H 
    32    64    10
Direct configuration=    50
   0.16063610  0.13787382  0.01512543
   0.40400888  0.09162939  0.38315103
   0.14917466  0.39598058  0.12077049
   0.38247779  0.33520580  0.26623245
   0.14420492  0.15973252  0.50580138
   0.39370677  0.09639990  0.88807899
   0.09988437  0.40464679  0.61939935
   0.34600952  0.35406013  0.75632921
   0.15473934  0.66256553  0.00567944
   0.39733095  0.58460404  0.38163314
   0.10242702  0.90219543  0.15630628
   0.38362985  0.83447607  0.26512862
   0.12991946  0.66033935  0.49379365
   0.41317725  0.60823231  0.87627741
   0.10226538  0.90281255  0.61411628
   0.34491101  0.93951482  0.71216503
   0.65567580  0.15920028  1.00851066
   0.88773351  0.08658351  0.38922248
   0.62729858  0.40993546  0.11918434
   0.87417421  0.25449372  0.19041733
   0.64874226  0.17050714  0.51326594
   0.90767319  0.08825826  0.89586432
   0.59909480  0.43617455  0.63338939
   0.79388225  0.33710549  0.76326562
   0.65882418  0.66126278 -0.00106220
   0.87466393  0.61362595  0.38015310
   0.59440672  0.91775149  0.11933933
   0.83988266  0.84417315  0.26222009
   0.66001675  0.65686013  0.49284453
   0.89909725  0.59101764  0.87660503
   0.64874248  0.93363166  0.66193395
   0.85971385  0.85085591  0.75641472
   0.10747762  0.05920966  0.10416209
   0.35187228  0.17419492  0.27952275
   0.19479499  0.29765803  0.03159932
   0.40492594  0.41484846  0.37318799
   0.51824161  0.35153031  0.19187138
   0.24779853  0.41595756  0.21348393
   0.29540036  0.11861392  0.47068935
   0.04588256  0.13202239  0.42000524
   0.07672003  0.07265401  0.60609192
   0.33040615  0.20685685  0.80885549
   0.16192627  0.32628149  0.52572769
   0.39610671  0.44674743  0.84883180
   0.45550091  0.35848322  0.66886890
   0.20101974  0.40857530  0.71535200
   0.31747670  0.09878582 -0.01061751
   0.07215134  0.15211212  0.92053994
   0.11996824  0.54536877  0.08161853
   0.36381851  0.66202448  0.27727145
   0.14431751  0.79045105  0.06773067
   0.41712559  0.92221451  0.35983175
   0.43309498  0.88401025  0.15385111
   0.23069991  0.88807044  0.22243901
   0.27868455  0.62742851  0.45495070
   0.04120432  0.63484641  0.39263532
   0.09607462  0.56174682  0.59008919
   0.37423703  0.70577910  0.78338213
   0.11275537  0.82362962  0.51444915
   0.36909427  0.95925206  0.83074743
   0.48674008  0.88360242  0.66835595
   0.20883813  0.84238997  0.69913390
   0.30493871  0.62611488 -0.03612831
   0.04535831  0.63496663  0.91746142
   0.60877630  0.09127339  0.11004700
   0.83290798  0.18170206  0.29702541
   0.66384763  0.32520161  0.02046856
   0.82961872  0.45896061  0.35652077
   0.01047545  0.33931860  0.17569760
   0.77546649  0.39369366  0.19078862
   0.80014237  0.11894026  0.48580276
   0.56117684  0.12827051  0.41579975
   0.61357117  0.08295712  0.61006241
   0.88625724  0.21247353  0.82314848
   0.66726125  0.33155911  0.55432903
   0.89337715  0.44175297  0.83370680
   0.94072205  0.35946718  0.64021181
   0.67535583  0.47119938  0.74041936
   0.80166102  0.08720353  0.99299815
   0.55211352  0.10922662  0.91797437
   0.61313835  0.57045822  0.09150826
   0.80289637  0.69163911  0.29291548
   0.63224801  0.81641346  0.02514225
   0.88142466  0.91974567  0.36375750
   0.95757354  0.83058945  0.17773365
   0.68969226  0.86660214  0.21263193
   0.82391771  0.66328928  0.48934889
   0.55882832  0.59691968  0.39999012
   0.59023251  0.59105629  0.59127554
   0.85607206  0.69429143  0.78620196
   0.59437561  0.81184168  0.47661752
   0.94116692  0.93847258  0.84373940
   0.94933265  0.86756804  0.66295267
   0.71059443  0.91914889  0.77047092
   0.80331890  0.61059844  0.96814059
   0.56862579  0.63424553  0.90425456
   0.72189485  0.84881477  0.59758037
   0.60428400  0.87337729  0.52206405
   0.84128366  0.17499026  0.10989986
   0.78069247  0.44668998  0.29083378
   0.29021312  0.05969428  0.67448259
   0.26704189  0.72058604  0.76599105
   0.04381825  1.04371438  0.24589335
   0.12248561  0.92461199 -0.04030334
   0.68349547  0.23848810  0.71818636
   0.91414548  0.26641215  0.63867260
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.780667   -0.031708   -0.071597
    -0.000000    9.894121   -0.002408
    -0.000000   -0.000000   13.752437
   Si   O    H 
    32    64    10
Direct configuration=    51
   0.16070805  0.13869712  0.01467022
   0.40352194  0.09145930  0.38288180
   0.14849100  0.39527967  0.12038473
   0.38167421  0.33499867  0.26587626
   0.14357871  0.15989807  0.50556761
   0.39286638  0.09687077  0.88752291
   0.09968088  0.40379802  0.61913469
   0.34613640  0.35429504  0.75654824
   0.15607077  0.66162665  0.00627574
   0.39724212  0.58491006  0.38203697
   0.10236411  0.90356875  0.15682862
   0.38237330  0.83416837  0.26427852
   0.13024329  0.66056832  0.49373193
   0.41389485  0.60914882  0.87545158
   0.10183745  0.90375191  0.61385204
   0.34414210  0.93879720  0.71157964
   0.65538002  0.15936959  1.00870561
   0.88841423  0.08457741  0.38898753
   0.62837057  0.40944927  0.11895471
   0.87527404  0.25482867  0.18981661
   0.64815078  0.17138622  0.51261154
   0.90936844  0.08761176  0.89646025
   0.59897097  0.43460036  0.63435320
   0.79290671  0.33670304  0.76455628
   0.65864434  0.66268377 -0.00134192
   0.87521028  0.61470994  0.37924088
   0.59578920  0.91958707  0.12038693
   0.84033674  0.84538791  0.26284969
   0.65774311  0.65536626  0.49264373
   0.89837534  0.59167078  0.87701012
   0.64923709  0.93178676  0.66129010
   0.86034487  0.84983238  0.75612005
   0.10929352  0.06169285  0.10375845
   0.35336097  0.17221313  0.27983333
   0.19620631  0.29872825  0.03297662
   0.40387224  0.41412536  0.37221174
   0.51859876  0.35262644  0.19397780
   0.24903223  0.41536904  0.21291502
   0.29580804  0.11708741  0.47041927
   0.04719184  0.13307087  0.41933280
   0.07627058  0.07316508  0.60542161
   0.33046414  0.20818557  0.80966559
   0.16242656  0.32505672  0.52673063
   0.39515899  0.44619330  0.84811893
   0.45401864  0.35794882  0.66978660
   0.20197163  0.40733228  0.71513949
   0.31858767  0.09942890 -0.00919068
   0.07119485  0.15189014  0.92134441
   0.11828362  0.54575925  0.08157625
   0.36279608  0.66240152  0.27635920
   0.14514444  0.79065188  0.06890462
   0.41672591  0.92432192  0.35851538
   0.43496899  0.88368985  0.15327678
   0.23194861  0.88912418  0.22299117
   0.28087914  0.62641024  0.45553651
   0.04010474  0.63320944  0.39296529
   0.09608159  0.56076275  0.58936276
   0.37545508  0.70743605  0.78394503
   0.11246398  0.82405370  0.51296219
   0.36817445  0.95849992  0.83161244
   0.48503559  0.88347190  0.66755784
   0.20938651  0.84053713  0.70015364
   0.30457004  0.62825946 -0.03667754
   0.04797056  0.63652224  0.91764951
   0.60958868  0.09256394  0.10990510
   0.83241342  0.18172533  0.29753224
   0.66163412  0.32308101  0.02002483
   0.82925809  0.45941717  0.35718976
   0.01005874  0.33905009  0.17620101
   0.77707721  0.39499375  0.19070470
   0.80005859  0.11954739  0.48584024
   0.56092080  0.12759505  0.41681728
   0.61487233  0.08256431  0.60973706
   0.88413757  0.21290702  0.82367170
   0.67002217  0.33102067  0.55621162
   0.89410322  0.44114019  0.83315305
   0.93996751  0.36010845  0.63898611
   0.67396217  0.47401169  0.74130919
   0.80163655  0.08800142  0.99266077
   0.55142418  0.10861961  0.91860369
   0.61456349  0.57042635  0.09007160
   0.80305226  0.69047176  0.29168450
   0.63267507  0.81693226  0.02648424
   0.88377711  0.92003701  0.36280542
   0.95659750  0.82983206  0.17854489
   0.69035813  0.86533833  0.21177164
   0.82285680  0.66235192  0.49036998
   0.55914096  0.59830614  0.40006346
   0.59138148  0.59173868  0.59109560
   0.85594834  0.69489551  0.78627502
   0.59414485  0.80913167  0.47685811
   0.94201508  0.93938379  0.84387714
   0.95054929  0.86718152  0.66231604
   0.70966728  0.92029624  0.77053104
   0.80522787  0.61176161  0.96695532
   0.56999911  0.63322937  0.90296134
   0.73406309  0.85204166  0.60606233
   0.61458024  0.88302078  0.52573689
   0.83203283  0.17309919  0.11063294
   0.77242990  0.44050818  0.28793780
   0.28505901  0.05865270  0.66588001
   0.27192438  0.72752134  0.76181004
   0.04508503  1.05349167  0.25197309
   0.11707155  0.92975885 -0.03538809
   0.68549320  0.23244010  0.72360690
   0.90729420  0.26839388  0.63395310
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.783336   -0.033045   -0.072874
    -0.000000    9.895437   -0.002356
    -0.000000   -0.000000   13.751297
   Si   O    H 
    32    64    10
Direct configuration=    52
   0.16204382  0.13951393  0.01387814
   0.40235255  0.09121253  0.38271347
   0.14714269  0.39456174  0.12040884
   0.38129053  0.33476978  0.26507644
   0.14377778  0.15980134  0.50509999
   0.39193673  0.09724007  0.88723257
   0.09971640  0.40331112  0.61865647
   0.34687467  0.35413055  0.75699677
   0.15705325  0.65994893  0.00698119
   0.39706146  0.58532795  0.38166104
   0.10261146  0.90505441  0.15752515
   0.38120384  0.83389644  0.26339955
   0.13037787  0.66104817  0.49375050
   0.41428983  0.61021420  0.87380018
   0.10094601  0.90515138  0.61396159
   0.34329759  0.93799776  0.71140954
   0.65442361  0.15877376  1.00892817
   0.88912268  0.08308390  0.38855409
   0.62904218  0.40967410  0.11911056
   0.87675880  0.25503836  0.18957027
   0.64835596  0.17192738  0.51211340
   0.91113324  0.08705619  0.89677646
   0.59848995  0.43333917  0.63499436
   0.79149800  0.33633292  0.76577684
   0.65837560  0.66367430 -0.00144114
   0.87547347  0.61529385  0.37867259
   0.59730276  0.92170289  0.12189139
   0.84053731  0.84672875  0.26326431
   0.65499459  0.65390908  0.49243888
   0.89757980  0.59247582  0.87707344
   0.64884205  0.92999408  0.66089666
   0.86140407  0.84832491  0.75658882
   0.11008296  0.06411984  0.10469876
   0.35479733  0.16974603  0.28055244
   0.19699355  0.29920671  0.03462119
   0.40265105  0.41315030  0.37143474
   0.51830545  0.35340115  0.19610836
   0.25070177  0.41487087  0.21210912
   0.29707673  0.11527955  0.46973779
   0.04791062  0.13271711  0.41888581
   0.07673140  0.07349445  0.60486094
   0.33027688  0.20900669  0.81065123
   0.16228560  0.32318437  0.52791460
   0.39438771  0.44540758  0.84817806
   0.45225999  0.35740662  0.67042777
   0.20222811  0.40583258  0.71444425
   0.32032259  0.10038408 -0.00766914
   0.06943010  0.15135190  0.92165808
   0.11605701  0.54539685  0.08212346
   0.36268891  0.66307606  0.27594761
   0.14592720  0.79230004  0.07019783
   0.41674590  0.92644076  0.35709151
   0.43712609  0.88380913  0.15286793
   0.23321836  0.89014765  0.22412141
   0.28358186  0.62524140  0.45684299
   0.03826892  0.63228365  0.39298606
   0.09659656  0.55984641  0.58848009
   0.37611021  0.70816345  0.78387964
   0.11168095  0.82342032  0.51115778
   0.36609124  0.95748081  0.83173292
   0.48399420  0.88301725  0.66684470
   0.21029070  0.83871414  0.70059280
   0.30401311  0.62956499 -0.03738701
   0.05082625  0.63745226  0.91763334
   0.61010647  0.09272791  0.10941379
   0.83307888  0.18221428  0.29753737
   0.65901768  0.32158067  0.01989033
   0.82897050  0.45957909  0.35770155
   0.01016186  0.33900849  0.17648595
   0.77818080  0.39647155  0.19042307
   0.80053624  0.12021938  0.48586290
   0.55960988  0.12657970  0.41747911
   0.61630222  0.08199706  0.60941038
   0.88153681  0.21280841  0.82392529
   0.67197678  0.33061081  0.55809280
   0.89496910  0.43958484  0.83265906
   0.93974292  0.36038574  0.63824340
   0.67298850  0.47538053  0.74208447
   0.80138593  0.08820915  0.99183382
   0.55130649  0.10904332  0.91952947
   0.61594083  0.56973163  0.08924643
   0.80365156  0.68897830  0.29091853
   0.63321217  0.81869355  0.02797023
   0.88571735  0.92055072  0.36215434
   0.95595130  0.82968976  0.17945209
   0.69051975  0.86601014  0.21123577
   0.82178542  0.66114088  0.49153473
   0.56006070  0.60023664  0.39975619
   0.59226723  0.59154913  0.59128341
   0.85675813  0.69517227  0.78591954
   0.59444647  0.80721579  0.47729666
   0.94288212  0.94003623  0.84475241
   0.95220034  0.86664700  0.66147727
   0.70856447  0.92069034  0.77045736
   0.80701194  0.61304474  0.96630762
   0.57027011  0.63240212  0.90128339
   0.74903565  0.84813026  0.61117704
   0.62316371  0.88572368  0.52210320
   0.82708115  0.16695230  0.11167369
   0.76705875  0.43302037  0.28905676
   0.28056860  0.06029037  0.65680286
   0.28917058  0.72985155  0.75999973
   0.04776922  1.06105309  0.25587119
   0.11479903  0.93484366 -0.03063319
   0.69405308  0.22889975  0.72851480
   0.90393646  0.26540592  0.62831239
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.785721   -0.035176   -0.074238
    -0.000000    9.896796   -0.002562
    -0.000000   -0.000000   13.750422
   Si   O    H 
    32    64    10
Direct configuration=    53
   0.16413695  0.14056124  0.01292451
   0.40095033  0.09087729  0.38197473
   0.14652433  0.39380742  0.12088556
   0.38143961  0.33528788  0.26445650
   0.14355736  0.15942876  0.50481962
   0.39107497  0.09751646  0.88713967
   0.09947851  0.40238726  0.61819824
   0.34789847  0.35399530  0.75744009
   0.15805008  0.65851034  0.00745618
   0.39694678  0.58548441  0.38080857
   0.10270059  0.90568023  0.15793822
   0.37985953  0.83408239  0.26224176
   0.13092098  0.66098997  0.49370698
   0.41471397  0.61084211  0.87235428
   0.09993896  0.90670059  0.61440018
   0.34246919  0.93739632  0.71085072
   0.65290768  0.15789785  1.00890552
   0.89007413  0.08166194  0.38799897
   0.62958316  0.41019179  0.11948959
   0.87814803  0.25455207  0.18924191
   0.64836719  0.17269824  0.51136398
   0.91317908  0.08642024  0.89688951
   0.59861541  0.43203578  0.63626178
   0.78982626  0.33543093  0.76661627
   0.65824260  0.66437755 -0.00149256
   0.87527711  0.61602287  0.37822773
   0.59800486  0.92334719  0.12343638
   0.84062708  0.84784550  0.26337586
   0.65203836  0.65279407  0.49208320
   0.89707873  0.59339648  0.87685627
   0.64795608  0.92811814  0.66042687
   0.86226575  0.84634906  0.75707994
   0.11142870  0.06518195  0.10658742
   0.35642251  0.16823317  0.28148904
   0.19820360  0.29916814  0.03596504
   0.40181052  0.41277566  0.37074064
   0.51858862  0.35385080  0.19834858
   0.25274986  0.41398566  0.21176875
   0.29854919  0.11338573  0.47007465
   0.04841778  0.13145515  0.41836653
   0.07838503  0.07378944  0.60382166
   0.33051029  0.20913604  0.81151014
   0.16210980  0.32036360  0.52922382
   0.39412308  0.44489086  0.84821700
   0.45085838  0.35647337  0.67016624
   0.20206628  0.40489107  0.71390294
   0.32219534  0.10112887 -0.00652828
   0.06687496  0.15135686  0.92149484
   0.11423621  0.54460502  0.08287925
   0.36269758  0.66345287  0.27571027
   0.14672487  0.79369920  0.07149493
   0.41682639  0.92841442  0.35630661
   0.43975609  0.88454961  0.15271370
   0.23449923  0.89092966  0.22586344
   0.28589639  0.62444479  0.45870051
   0.03681019  0.63215410  0.39303024
   0.09721203  0.55915789  0.58752470
   0.37745467  0.70913894  0.78407809
   0.11124132  0.82268723  0.50943089
   0.36400938  0.95716010  0.83160193
   0.48328245  0.88266239  0.66589259
   0.21095328  0.83741666  0.70079994
   0.30406433  0.63090337 -0.03831702
   0.05289277  0.63893490  0.91725788
   0.61011214  0.09151869  0.10913941
   0.83429471  0.18242338  0.29781255
   0.65632141  0.31927327  0.01945503
   0.82789500  0.46118199  0.35789732
   0.01050897  0.33925618  0.17645172
   0.77850134  0.39778844  0.18989425
   0.80083704  0.12112967  0.48566374
   0.55843854  0.12555546  0.41786201
   0.61742284  0.08066790  0.60928932
   0.87834497  0.21330040  0.82372300
   0.67400867  0.33016661  0.55968721
   0.89520198  0.43826635  0.83213433
   0.93907785  0.36037249  0.63803530
   0.67258463  0.47524290  0.74259538
   0.80130501  0.08849536  0.99047800
   0.55161025  0.10942720  0.91983735
   0.61726326  0.56885661  0.08882382
   0.80391258  0.68933536  0.29018030
   0.63238475  0.82062597  0.02944181
   0.88703164  0.92114109  0.36178671
   0.95551259  0.83015398  0.17996681
   0.69073073  0.86683456  0.21130057
   0.82044744  0.65931857  0.49277082
   0.56045312  0.60165297  0.39948497
   0.59295366  0.59010783  0.59137867
   0.85694656  0.69554830  0.78523015
   0.59591890  0.80608713  0.47819053
   0.94332824  0.94139130  0.84556654
   0.95462493  0.86520328  0.66022061
   0.70751964  0.92127688  0.77081963
   0.80797814  0.61438704  0.96639445
   0.57113043  0.63196913  0.89951731
   0.75866335  0.84950003  0.61249670
   0.63013209  0.87946764  0.51528802
   0.82332852  0.16491691  0.11753367
   0.76528743  0.43454942  0.29251080
   0.28483074  0.05247173  0.65509603
   0.30236993  0.72540790  0.75866834
   0.05106292  1.06314031  0.25859785
   0.11085209  0.94167894 -0.02830433
   0.69374142  0.22865659  0.73138457
   0.90282686  0.26978418  0.62479745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.787785   -0.037712   -0.075447
    -0.000000    9.898240   -0.002982
    -0.000000   -0.000000   13.749459
   Si   O    H 
    32    64    10
Direct configuration=    54
   0.16619707  0.14089665  0.01240037
   0.39968142  0.09020144  0.38127172
   0.14601040  0.39292115  0.12150824
   0.38179537  0.33518611  0.26394032
   0.14409339  0.15908142  0.50471455
   0.39039911  0.09807117  0.88710288
   0.09877906  0.40201549  0.61810860
   0.34835699  0.35403176  0.75782066
   0.15864459  0.65745103  0.00824572
   0.39682998  0.58511092  0.37979238
   0.10252310  0.90573296  0.15848803
   0.37819011  0.83418067  0.26068579
   0.13124215  0.66094412  0.49372308
   0.41491501  0.61110918  0.87130150
   0.09827140  0.90824710  0.61495522
   0.34254119  0.93720332  0.71021302
   0.65135941  0.15784265  1.00888919
   0.89155343  0.08104829  0.38728045
   0.62987719  0.41077703  0.11967663
   0.87885277  0.25367279  0.18931863
   0.64850116  0.17365564  0.51073369
   0.91523826  0.08603115  0.89764682
   0.59871640  0.43097570  0.63773949
   0.78878116  0.33481852  0.76744265
   0.65854217  0.66461008 -0.00175409
   0.87476478  0.61637167  0.37737904
   0.59863252  0.92488518  0.12478153
   0.84066658  0.84840289  0.26325389
   0.64951918  0.65175232  0.49127529
   0.89703923  0.59407294  0.87629893
   0.64694349  0.92661228  0.65991285
   0.86291645  0.84512792  0.75752094
   0.11235495  0.06539456  0.10830163
   0.35810119  0.16726848  0.28245268
   0.19963067  0.29892481  0.03728076
   0.40000579  0.41300220  0.36975847
   0.51915451  0.35390014  0.19993954
   0.25412814  0.41352780  0.21127115
   0.29978794  0.11157726  0.47068363
   0.04748423  0.13042568  0.41763273
   0.08013467  0.07426661  0.60231912
   0.33067257  0.20870871  0.81262470
   0.16126587  0.31763824  0.53033670
   0.39374515  0.44449845  0.84809135
   0.45118357  0.35596421  0.66995853
   0.20188191  0.40363789  0.71317890
   0.32431566  0.10186452 -0.00582853
   0.06465814  0.15202773  0.92108008
   0.11273172  0.54473419  0.08334433
   0.36267197  0.66345780  0.27536102
   0.14697147  0.79494242  0.07270261
   0.41692219  0.92974204  0.35580480
   0.44226079  0.88599439  0.15279622
   0.23564587  0.89178055  0.22785899
   0.28766033  0.62409102  0.46104014
   0.03569303  0.63156728  0.39316333
   0.09839525  0.55869221  0.58672441
   0.38007509  0.70918241  0.78495848
   0.11169853  0.82283213  0.50773911
   0.36130782  0.95686846  0.83136667
   0.48217689  0.88241920  0.66584067
   0.21185712  0.83643565  0.70033747
   0.30341007  0.63199845 -0.03936904
   0.05447078  0.64033863  0.91643594
   0.60947947  0.08862264  0.10923003
   0.83558934  0.18329330  0.29731913
   0.65432986  0.31732449  0.01882082
   0.82691077  0.46189135  0.35792372
   0.01169466  0.33923184  0.17675725
   0.77837854  0.39879631  0.18910800
   0.80113739  0.12164851  0.48517384
   0.55694307  0.12581732  0.41887700
   0.61834964  0.07905523  0.60935744
   0.87536558  0.21296900  0.82382938
   0.67544271  0.32975795  0.56033259
   0.89579904  0.43771448  0.83211382
   0.93789883  0.36004432  0.63846196
   0.67226384  0.47512355  0.74275803
   0.80078962  0.08858574  0.98906456
   0.55138706  0.10931849  0.92024662
   0.61756967  0.56805202  0.08922723
   0.80441796  0.69081210  0.28919634
   0.63078693  0.82234376  0.03105228
   0.88784444  0.92147802  0.36104904
   0.95590449  0.83037079  0.18031990
   0.69137704  0.86788534  0.21194649
   0.81946227  0.65804400  0.49302561
   0.56057042  0.60284520  0.39938272
   0.59341472  0.58785847  0.59171163
   0.85672481  0.69471889  0.78469456
   0.59746558  0.80460664  0.47844400
   0.94371081  0.94232542  0.84625025
   0.95675181  0.86484178  0.65926186
   0.70691877  0.92168019  0.77141877
   0.80837064  0.61570170  0.96634650
   0.57134962  0.63291003  0.89786985
   0.75874387  0.85177504  0.61465254
   0.63804164  0.87842503  0.50831805
   0.82248606  0.16613944  0.12486224
   0.76969753  0.44200208  0.29795089
   0.29153128  0.04342385  0.65503808
   0.29644646  0.72167293  0.75433126
   0.05328847  1.06027803  0.26213959
   0.10949043  0.94808573 -0.02817981
   0.68877646  0.22957278  0.73268695
   0.90558625  0.27362655  0.61983681
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789620   -0.039773   -0.076142
    -0.000000    9.899868   -0.003445
    -0.000000   -0.000000   13.748905
   Si   O    H 
    32    64    10
Direct configuration=    55
   0.16781532  0.14114355  0.01175941
   0.39882344  0.08899555  0.38058864
   0.14564176  0.39233039  0.12205489
   0.38217304  0.33467405  0.26378313
   0.14473583  0.15919587  0.50454826
   0.39022611  0.09847801  0.88739339
   0.09858605  0.40236681  0.61789898
   0.34818225  0.35387860  0.75824004
   0.15938161  0.65634485  0.00938967
   0.39654608  0.58432943  0.37902908
   0.10259619  0.90637189  0.15890030
   0.37750460  0.83453301  0.25904071
   0.13103457  0.66079038  0.49354656
   0.41475759  0.61118661  0.87079761
   0.09699686  0.90940575  0.61565637
   0.34323771  0.93679002  0.70962437
   0.65031553  0.15705187  1.00873071
   0.89363478  0.08113923  0.38637857
   0.62999074  0.41151638  0.12032281
   0.87895391  0.25338750  0.18959294
   0.64880376  0.17465196  0.51104621
   0.91702233  0.08588651  0.89836094
   0.59879311  0.42996782  0.63873797
   0.78772966  0.33479404  0.76823492
   0.65905365  0.66532974 -0.00161845
   0.87445412  0.61697585  0.37683993
   0.59890145  0.92620491  0.12608471
   0.84039433  0.84855300  0.26315103
   0.64776160  0.65115211  0.49079464
   0.89787534  0.59479234  0.87506634
   0.64519148  0.92540814  0.65929188
   0.86311628  0.84464484  0.75780033
   0.11262103  0.06498400  0.11005693
   0.35880673  0.16775623  0.28331152
   0.20037127  0.29877866  0.03859607
   0.39774199  0.41231534  0.36912182
   0.51987989  0.35330055  0.20122525
   0.25582872  0.41329663  0.21073224
   0.30079489  0.10989728  0.47223274
   0.04639349  0.12935090  0.41686222
   0.08239577  0.07479479  0.60048324
   0.33089693  0.20838551  0.81349213
   0.16125207  0.31555865  0.53145019
   0.39301174  0.44530878  0.84793065
   0.45219260  0.35587264  0.66935454
   0.20180337  0.40257062  0.71276996
   0.32588823  0.10234165 -0.00518906
   0.06288136  0.15224136  0.92039326
   0.11139844  0.54372188  0.08433015
   0.36306712  0.66282762  0.27506762
   0.14693947  0.79543247  0.07354125
   0.41672381  0.93054456  0.35543139
   0.44560552  0.88678091  0.15290730
   0.23668639  0.89264054  0.22956642
   0.28954237  0.62412898  0.46328504
   0.03615676  0.63112160  0.39391491
   0.09954620  0.55940272  0.58569965
   0.38231570  0.70937734  0.78565179
   0.11177786  0.82299007  0.50665646
   0.35920708  0.95590008  0.83077606
   0.48104021  0.88282163  0.66511058
   0.21225606  0.83589737  0.69984234
   0.30298378  0.63350162 -0.04031627
   0.05523965  0.64235876  0.91568410
   0.60827395  0.08526696  0.10918004
   0.83628580  0.18345148  0.29717221
   0.65183455  0.31576961  0.01894603
   0.82654982  0.46291018  0.35863644
   0.01308564  0.33917446  0.17742593
   0.77737839  0.39931474  0.18869857
   0.80150307  0.12224282  0.48435110
   0.55555434  0.12609634  0.42023671
   0.61938265  0.07799101  0.60948591
   0.87199666  0.21175517  0.82409823
   0.67668027  0.32858085  0.56084311
   0.89572085  0.43752923  0.83236068
   0.93772951  0.35992753  0.63858559
   0.67237358  0.47444189  0.74326092
   0.80032796  0.08841495  0.98789569
   0.55112441  0.10973896  0.92074465
   0.61788817  0.56739224  0.09003448
   0.80403746  0.69270169  0.28831639
   0.63004844  0.82394819  0.03240596
   0.88864249  0.92141694  0.36116412
   0.95698085  0.83148422  0.18024503
   0.69221100  0.86916892  0.21336606
   0.81817993  0.65729140  0.49274379
   0.56054416  0.60308366  0.39829789
   0.59393619  0.58517761  0.59211636
   0.85568055  0.69393575  0.78463117
   0.59812516  0.80304657  0.47879337
   0.94433672  0.94263577  0.84676122
   0.95884781  0.86431784  0.65884454
   0.70712187  0.92165750  0.77232360
   0.80803551  0.61649918  0.96695029
   0.57197471  0.63385594  0.89712630
   0.75405084  0.85674520  0.61590678
   0.64881494  0.88343597  0.50534710
   0.81755704  0.16219258  0.12479007
   0.77538001  0.45100225  0.30400777
   0.29667281  0.04294807  0.65394372
   0.28670165  0.71054983  0.75016256
   0.05483240  1.05271737  0.26330323
   0.10962299  0.95392498 -0.03036376
   0.67859900  0.22829010  0.73164919
   0.90668290  0.26819564  0.61262204
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791322   -0.041820   -0.076548
    -0.000000    9.901506   -0.003943
    -0.000000   -0.000000   13.748543
   Si   O    H 
    32    64    10
Direct configuration=    56
   0.16914552  0.14076632  0.01079370
   0.39864156  0.08779588  0.38085720
   0.14513266  0.39200161  0.12312855
   0.38230798  0.33388349  0.26360537
   0.14539675  0.15950196  0.50439071
   0.39028797  0.09884996  0.88798515
   0.09932073  0.40276531  0.61762629
   0.34719483  0.35337777  0.75840652
   0.16080547  0.65608319  0.01067612
   0.39656634  0.58346263  0.37822164
   0.10231726  0.90738893  0.15925629
   0.37716869  0.83488686  0.25731056
   0.13056665  0.66096571  0.49279990
   0.41467581  0.61047498  0.87078950
   0.09551501  0.91071055  0.61592910
   0.34402520  0.93628263  0.70935844
   0.64993500  0.15608738  1.00875156
   0.89481446  0.08123448  0.38573917
   0.63065127  0.41174772  0.12098587
   0.87867053  0.25290137  0.18985901
   0.64894134  0.17480352  0.51145328
   0.91872422  0.08598375  0.89884220
   0.59865370  0.42896074  0.63929440
   0.78654687  0.33504329  0.76878886
   0.65929183  0.66550939 -0.00158722
   0.87345503  0.61722352  0.37662235
   0.59854609  0.92729221  0.12726394
   0.84046826  0.84837384  0.26287917
   0.64629180  0.65003293  0.49046060
   0.89905740  0.59558977  0.87360002
   0.64449566  0.92452717  0.65916811
   0.86316886  0.84451322  0.75824923
   0.11244890  0.06415512  0.11151870
   0.35933624  0.16869892  0.28379587
   0.20081464  0.29864767  0.03928848
   0.39578530  0.41181932  0.36825154
   0.51984107  0.35292473  0.20190447
   0.25680522  0.41288377  0.20963553
   0.30195683  0.10803313  0.47420745
   0.04538936  0.12797244  0.41657206
   0.08517775  0.07567008  0.59888065
   0.33020066  0.20791155  0.81389582
   0.16134245  0.31375905  0.53243172
   0.39196425  0.44628746  0.84754157
   0.45370546  0.35571577  0.66827008
   0.20169599  0.40114796  0.71248306
   0.32806588  0.10235527 -0.00434506
   0.06196319  0.15284977  0.91984137
   0.10974736  0.54235418  0.08528746
   0.36370518  0.66312993  0.27457621
   0.14692158  0.79533874  0.07380858
   0.41630921  0.93101683  0.35455474
   0.44869966  0.88616724  0.15332507
   0.23648078  0.89301510  0.23147269
   0.29156063  0.62507406  0.46600542
   0.03738046  0.63031112  0.39456251
   0.10131972  0.56031440  0.58443729
   0.38377841  0.70979449  0.78599067
   0.11220818  0.82292146  0.50651744
   0.35750572  0.95542353  0.82963523
   0.47985632  0.88294918  0.66460183
   0.21188208  0.83531203  0.69895222
   0.30343736  0.63529006 -0.04150666
   0.05543370  0.64363895  0.91511767
   0.60736742  0.08279060  0.10900614
   0.83688391  0.18417653  0.29698480
   0.65082896  0.31525854  0.01904529
   0.82712409  0.46440893  0.35999754
   0.01452189  0.33914501  0.17834261
   0.77651055  0.39953574  0.18881746
   0.80283469  0.12221404  0.48316315
   0.55405191  0.12668055  0.42058187
   0.62040401  0.07739621  0.60963485
   0.86875518  0.21057544  0.82473648
   0.67792748  0.32742739  0.56133365
   0.89566649  0.43778005  0.83281575
   0.93755225  0.35857032  0.63830237
   0.67257073  0.47440346  0.74436189
   0.80006087  0.08826800  0.98694271
   0.55108031  0.11008699  0.92081803
   0.61748782  0.56681510  0.09069249
   0.80356207  0.69586860  0.28763316
   0.62984567  0.82534971  0.03349519
   0.88873265  0.92116878  0.36186270
   0.95781934  0.83271280  0.18050776
   0.69288606  0.87111997  0.21389524
   0.81755885  0.65661563  0.49184173
   0.56023322  0.60357348  0.39701346
   0.59403728  0.58218382  0.59258696
   0.85522366  0.69279950  0.78489730
   0.59837300  0.80250887  0.47861823
   0.94425690  0.94254840  0.84706310
   0.96023673  0.86383981  0.65817983
   0.70783556  0.92140854  0.77231860
   0.80669907  0.61722459  0.96758496
   0.57340939  0.63522667  0.89713330
   0.74538876  0.85713864  0.61923308
   0.65601647  0.88672722  0.50126866
   0.81242087  0.15804900  0.12288148
   0.76678043  0.45790463  0.29838964
   0.29993433  0.04931351  0.65294567
   0.28329769  0.69842320  0.74874025
   0.05436967  1.04736146  0.26108737
   0.10980784  0.96214613 -0.03418083
   0.66801925  0.23281035  0.72875131
   0.90723127  0.26803974  0.60828885
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.793181   -0.045148   -0.076494
    -0.000000    9.903019   -0.004027
    -0.000000   -0.000000   13.747789
   Si   O    H 
    32    64    10
Direct configuration=    57
   0.16999760  0.13988684  0.01008570
   0.39921028  0.08624200  0.38107668
   0.14419351  0.39215336  0.12395329
   0.38216569  0.33290167  0.26338707
   0.14618302  0.15916830  0.50364435
   0.39097168  0.09926170  0.88912586
   0.10045467  0.40280814  0.61771638
   0.34611181  0.35270662  0.75874907
   0.16189727  0.65618830  0.01175893
   0.39624648  0.58280290  0.37745124
   0.10209993  0.90870139  0.15955655
   0.37786789  0.83543446  0.25560767
   0.13022425  0.66082793  0.49171954
   0.41458270  0.60970908  0.87096093
   0.09511269  0.91239646  0.61605529
   0.34447133  0.93561774  0.70912151
   0.64952438  0.15483277  1.00900806
   0.89607561  0.08162228  0.38520562
   0.63160214  0.41187687  0.12153242
   0.87788241  0.25299680  0.18998311
   0.64913780  0.17484605  0.51164381
   0.91972616  0.08622540  0.89892370
   0.59835864  0.42822608  0.64012777
   0.78512199  0.33510029  0.76851852
   0.65953760  0.66576752 -0.00124486
   0.87240668  0.61720375  0.37687293
   0.59839350  0.92845117  0.12793465
   0.84048509  0.84797907  0.26244678
   0.64529451  0.64958553  0.49068769
   0.90012515  0.59648981  0.87231780
   0.64368786  0.92372320  0.65882896
   0.86346406  0.84486416  0.75870065
   0.11209745  0.06247683  0.11220413
   0.36097938  0.17074451  0.28414209
   0.20132204  0.29765710  0.04021427
   0.39419281  0.41183704  0.36762687
   0.52004050  0.35316992  0.20220743
   0.25779837  0.41310761  0.20887050
   0.30268910  0.10610272  0.47573788
   0.04567851  0.12642841  0.41587871
   0.08782413  0.07580317  0.59749241
   0.33000893  0.20793238  0.81413292
   0.16164826  0.31262076  0.53319580
   0.39134305  0.44758277  0.84780692
   0.45449986  0.35554158  0.66669788
   0.20173251  0.39870450  0.71242760
   0.33038837  0.10301620 -0.00369271
   0.06085746  0.15372262  0.91937228
   0.10818849  0.54099661  0.08639917
   0.36468247  0.66392603  0.27450088
   0.14745192  0.79496719  0.07419054
   0.41667044  0.93163526  0.35392827
   0.45096286  0.88564372  0.15422479
   0.23580341  0.89383383  0.23339808
   0.29290313  0.62591574  0.46836578
   0.03942271  0.63003691  0.39438254
   0.10285542  0.56084575  0.58265749
   0.38368701  0.71203677  0.78547283
   0.11211953  0.82332148  0.50669577
   0.35669532  0.95574157  0.82823518
   0.47907166  0.88364968  0.66405097
   0.21106280  0.83531157  0.69774248
   0.30411747  0.63694141 -0.04253778
   0.05439212  0.64522698  0.91463812
   0.60600000  0.08109896  0.10903118
   0.83735604  0.18426700  0.29711604
   0.65038694  0.31557437  0.01903687
   0.82818098  0.46584553  0.36066540
   0.01614606  0.33900561  0.17959287
   0.77654311  0.39993741  0.18849256
   0.80436861  0.12240905  0.48187575
   0.55216503  0.12736790  0.42028214
   0.62115803  0.07774383  0.60977800
   0.86520626  0.20989125  0.82561028
   0.67853807  0.32577621  0.56200961
   0.89628560  0.43822524  0.83260662
   0.93762813  0.35699665  0.63789295
   0.67332736  0.47346526  0.74544702
   0.80072652  0.08773037  0.98540288
   0.55138809  0.11052229  0.92092807
   0.61724081  0.56694017  0.09098387
   0.80387001  0.69847522  0.28714336
   0.63024871  0.82640761  0.03419496
   0.88901706  0.92045509  0.36244440
   0.95866360  0.83397977  0.18063486
   0.69446315  0.87330545  0.21498043
   0.81720742  0.65585588  0.49000358
   0.55969854  0.60425820  0.39565844
   0.59433322  0.57927772  0.59265988
   0.85480414  0.69094222  0.78533459
   0.59883805  0.80298494  0.47870142
   0.94426266  0.94256926  0.84747092
   0.96075351  0.86312088  0.65730073
   0.70848364  0.92142419  0.77189555
   0.80626532  0.61793729  0.96799384
   0.57520301  0.63632091  0.89768254
   0.73944806  0.85260469  0.61743213
   0.66138001  0.87891087  0.49413311
   0.80913708  0.15469768  0.12151379
   0.75962687  0.46402591  0.29404881
   0.29840801  0.06023518  0.65111745
   0.29033037  0.68972548  0.75233446
   0.05014861  1.04036976  0.25821083
   0.11244447  0.97154555 -0.03889128
   0.66041687  0.24418242  0.72496776
   0.90633300  0.27558912  0.60762090
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.795227   -0.048566   -0.076189
    -0.000000    9.904534   -0.004614
    -0.000000   -0.000000   13.747161
   Si   O    H 
    32    64    10
Direct configuration=    58
   0.17038344  0.13845420  0.01028716
   0.39944177  0.08503836  0.38161864
   0.14321781  0.39238949  0.12464435
   0.38172427  0.33227967  0.26326028
   0.14764162  0.15844343  0.50273059
   0.39238428  0.09947126  0.89020624
   0.10132936  0.40378817  0.61740772
   0.34510121  0.35195845  0.75885395
   0.16291708  0.65608164  0.01305480
   0.39628142  0.58190378  0.37712252
   0.10237054  0.91061479  0.15981533
   0.37847839  0.83561883  0.25393367
   0.13003251  0.66069021  0.49016685
   0.41447422  0.60902699  0.87142132
   0.09501209  0.91375062  0.61573762
   0.34455608  0.93478554  0.70891608
   0.64903840  0.15314464  1.00948664
   0.89692928  0.08218228  0.38480127
   0.63265316  0.41225624  0.12188254
   0.87694846  0.25275350  0.19033148
   0.64911151  0.17468066  0.51149503
   0.92091849  0.08619445  0.89908739
   0.59862568  0.42733662  0.64078228
   0.78413614  0.33550135  0.76809855
   0.65914727  0.66668795 -0.00080017
   0.87171646  0.61673698  0.37722036
   0.59813988  0.92904046  0.12833147
   0.84103519  0.84726645  0.26181964
   0.64445875  0.64929575  0.49115288
   0.90102343  0.59673183  0.87132328
   0.64305299  0.92281497  0.65879814
   0.86395531  0.84548891  0.75917853
   0.11214679  0.06096223  0.11299656
   0.36240633  0.17347534  0.28422785
   0.20089566  0.29734608  0.04105228
   0.39263034  0.41197608  0.36663884
   0.52069891  0.35302595  0.20224281
   0.25847276  0.41346670  0.20823289
   0.30370928  0.10412885  0.47740993
   0.04531252  0.12590657  0.41526596
   0.09059689  0.07568870  0.59589196
   0.33014953  0.20773793  0.81432980
   0.16210266  0.31102459  0.53420235
   0.39018795  0.44879257  0.84837652
   0.45477985  0.35513044  0.66491093
   0.20130878  0.39690530  0.71133399
   0.33289524  0.10369525 -0.00315232
   0.06031834  0.15419586  0.91915444
   0.10631192  0.53924621  0.08709931
   0.36626621  0.66533101  0.27472136
   0.14786803  0.79511728  0.07458382
   0.41718678  0.93150060  0.35325270
   0.45300656  0.88456134  0.15496417
   0.23482960  0.89420427  0.23486095
   0.29456464  0.62720146  0.46988359
   0.03978477  0.62972454  0.39434470
   0.10334366  0.56119053  0.58106939
   0.38279679  0.71354091  0.78442977
   0.11141280  0.82358387  0.50729084
   0.35676429  0.95632625  0.82720895
   0.47825827  0.88424812  0.66274352
   0.21060098  0.83509501  0.69584728
   0.30423919  0.63847985 -0.04379206
   0.05349060  0.64764304  0.91441201
   0.60404508  0.08074368  0.10895328
   0.83862362  0.18434627  0.29749451
   0.64985723  0.31640561  0.01950008
   0.82871376  0.46674834  0.36008327
   0.01762447  0.33796100  0.18139595
   0.77646798  0.40001888  0.18857696
   0.80524039  0.12261730  0.48098917
   0.55062034  0.12841659  0.42062643
   0.62166778  0.07841706  0.60983978
   0.86063659  0.20838195  0.82640032
   0.67922791  0.32413105  0.56261932
   0.89696477  0.43835869  0.83284388
   0.93785948  0.35627332  0.63745219
   0.67372303  0.47279235  0.74670071
   0.80141892  0.08691581  0.98350276
   0.55085751  0.11086599  0.92039595
   0.61615105  0.56727024  0.09134747
   0.80388699  0.70104248  0.28666485
   0.63040396  0.82760511  0.03494822
   0.88974129  0.92004121  0.36289058
   0.96003687  0.83480574  0.18067352
   0.69610298  0.87549021  0.21568591
   0.81641396  0.65482147  0.48779209
   0.55907208  0.60501577  0.39429167
   0.59436412  0.57663269  0.59246531
   0.85409191  0.68973149  0.78558114
   0.60018989  0.80422789  0.47850685
   0.94346366  0.94252219  0.84784994
   0.95958297  0.86207505  0.65745726
   0.71002371  0.92090676  0.77127725
   0.80620612  0.61879043  0.96812111
   0.57699332  0.63742142  0.89903659
   0.73467664  0.84516676  0.61195724
   0.66247433  0.87173681  0.48732651
   0.81061239  0.15758963  0.12215320
   0.76261123  0.46732530  0.29326720
   0.29777873  0.06571367  0.65405881
   0.30429708  0.68648689  0.75854108
   0.04494872  1.03669523  0.25413313
   0.11815440  0.97969394 -0.04225079
   0.66068531  0.25822360  0.72334045
   0.90205444  0.27608447  0.60621253
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797461   -0.051978   -0.075425
    -0.000000    9.906588   -0.005225
    -0.000000   -0.000000   13.746561
   Si   O    H 
    32    64    10
Direct configuration=    59
   0.17113414  0.13578730  0.01011024
   0.39971325  0.08406758  0.38222080
   0.14287162  0.39296837  0.12534076
   0.38110436  0.33217482  0.26257695
   0.14982128  0.15738545  0.50186278
   0.39363044  0.09896382  0.89108166
   0.10088951  0.40450186  0.61749523
   0.34412232  0.35089150  0.75909011
   0.16348618  0.65619374  0.01426056
   0.39633776  0.58121246  0.37653271
   0.10218967  0.91239044  0.16006008
   0.37976770  0.83606407  0.25302890
   0.13012999  0.66001969  0.48895262
   0.41468349  0.60783485  0.87184308
   0.09514582  0.91435859  0.61521731
   0.34352328  0.93434143  0.70896862
   0.64890731  0.15199228  1.00974227
   0.89712071  0.08307262  0.38450161
   0.63387579  0.41249185  0.12215460
   0.87542602  0.25258156  0.19091342
   0.64918954  0.17450600  0.51179944
   0.92077875  0.08621700  0.89909027
   0.59872916  0.42649584  0.64128554
   0.78346964  0.33612656  0.76752421
   0.65907789  0.66764113 -0.00073167
   0.87134685  0.61664286  0.37806652
   0.59805318  0.92924803  0.12862451
   0.84165399  0.84691802  0.26165990
   0.64357538  0.64894588  0.49177777
   0.90197036  0.59600056  0.87089578
   0.64286646  0.92179824  0.65883385
   0.86472168  0.84599190  0.75927604
   0.11295664  0.05917490  0.11349022
   0.36282581  0.17517480  0.28459808
   0.19959701  0.29661675  0.04120473
   0.39072678  0.41239198  0.36558614
   0.52151519  0.35311157  0.20203526
   0.25970652  0.41396916  0.20720784
   0.30403671  0.10212647  0.47872618
   0.04533250  0.12499513  0.41564058
   0.09412413  0.07566883  0.59474505
   0.33000615  0.20766239  0.81391322
   0.16236693  0.30809860  0.53495708
   0.38846211  0.45024629  0.84868332
   0.45520023  0.35447193  0.66389640
   0.20064426  0.39542994  0.71096352
   0.33497305  0.10448076 -0.00290274
   0.06071611  0.15594750  0.91926737
   0.10443897  0.53772169  0.08801286
   0.36767362  0.66728980  0.27485179
   0.14811175  0.79466769  0.07452358
   0.41749137  0.93143268  0.35259586
   0.45404464  0.88313025  0.15605986
   0.23380284  0.89463453  0.23672634
   0.29589252  0.62795804  0.47099243
   0.04042171  0.62904740  0.39405865
   0.10435902  0.55992996  0.58003472
   0.38182653  0.71480150  0.78347955
   0.11122401  0.82411850  0.50833589
   0.35678806  0.95707707  0.82706376
   0.47864178  0.88472885  0.66150575
   0.20985171  0.83514176  0.69343185
   0.30407770  0.64014769 -0.04516325
   0.05271327  0.65008439  0.91449800
   0.60204257  0.08131185  0.10889632
   0.83943058  0.18472181  0.29805431
   0.64884748  0.31667536  0.01988244
   0.82860401  0.46819519  0.35885633
   0.01794318  0.33671102  0.18299230
   0.77689223  0.39948754  0.18877244
   0.80585281  0.12293028  0.48056180
   0.54898325  0.12961967  0.42137743
   0.62206377  0.07856354  0.60986139
   0.85649773  0.20575938  0.82675224
   0.67944440  0.32185947  0.56295081
   0.89836605  0.43817707  0.83263892
   0.93874972  0.35637013  0.63742198
   0.67428885  0.47215876  0.74760750
   0.80209811  0.08623913  0.98203024
   0.55111101  0.11166505  0.91987092
   0.61507366  0.56820140  0.09119067
   0.80353528  0.70276156  0.28648430
   0.63087331  0.82789399  0.03544505
   0.89011726  0.92047517  0.36332896
   0.96064655  0.83528109  0.18102071
   0.69744334  0.87864346  0.21594261
   0.81471262  0.65394477  0.48561737
   0.55911819  0.60587186  0.39328090
   0.59481520  0.57468597  0.59180770
   0.85322496  0.68933879  0.78575664
   0.60093941  0.80542933  0.47810997
   0.94235728  0.94095525  0.84783838
   0.95717509  0.86088643  0.65802041
   0.71144562  0.92051886  0.77066670
   0.80670094  0.61994875  0.96794691
   0.57818207  0.63842492  0.90074515
   0.73019480  0.83762543  0.60636393
   0.67136492  0.88184204  0.48538597
   0.81626449  0.16236658  0.12387774
   0.77218984  0.46515317  0.29555781
   0.29946773  0.06437716  0.65947802
   0.30180968  0.68597654  0.75653265
   0.04565601  1.03215441  0.25037378
   0.12587540  0.98263813 -0.04573603
   0.66003265  0.26775908  0.72515679
   0.89743305  0.27231077  0.60718686
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800122   -0.055616   -0.075166
    -0.000000    9.908518   -0.005926
    -0.000000   -0.000000   13.746379
   Si   O    H 
    32    64    10
Direct configuration=    60
   0.17202430  0.13286338  0.01024160
   0.39976629  0.08359045  0.38326996
   0.14286757  0.39410661  0.12581460
   0.38051262  0.33209644  0.26160450
   0.15150754  0.15699178  0.50131240
   0.39462785  0.09816063  0.89168093
   0.10010827  0.40502678  0.61781047
   0.34318956  0.35058787  0.75957276
   0.16318906  0.65629107  0.01528677
   0.39644040  0.57962895  0.37572426
   0.10182402  0.91304535  0.16037967
   0.38106485  0.83606816  0.25259050
   0.13013393  0.65985612  0.48769347
   0.41547780  0.60695170  0.87222068
   0.09481499  0.91422562  0.61474769
   0.34224627  0.93346970  0.70911524
   0.64977413  0.15047185  1.01022490
   0.89696208  0.08360777  0.38361470
   0.63548971  0.41316672  0.12227939
   0.87459774  0.25217023  0.19158495
   0.64922096  0.17381697  0.51207270
   0.92043444  0.08680730  0.89843984
   0.59876828  0.42572262  0.64160200
   0.78308209  0.33682836  0.76749219
   0.65901150  0.66862990 -0.00062091
   0.87107812  0.61605990  0.37866928
   0.59839552  0.92898047  0.12885552
   0.84237807  0.84621838  0.26159581
   0.64308509  0.64882133  0.49234258
   0.90309594  0.59483547  0.87071338
   0.64269235  0.92072336  0.65882506
   0.86559520  0.84667826  0.75971584
   0.11379675  0.05785480  0.11343637
   0.36270559  0.17700730  0.28489845
   0.19806892  0.29552431  0.04139038
   0.38881514  0.41283830  0.36470294
   0.52227004  0.35334645  0.20147943
   0.26005400  0.41348247  0.20671698
   0.30366450  0.10053636  0.47976439
   0.04613984  0.12458095  0.41597203
   0.09647191  0.07579390  0.59401098
   0.32993165  0.20772635  0.81285011
   0.16249787  0.30588761  0.53565096
   0.38762788  0.45108555  0.84862285
   0.45520764  0.35424131  0.66355519
   0.19963107  0.39387274  0.71074843
   0.33688722  0.10522926 -0.00271352
   0.06129369  0.15825722  0.92004522
   0.10298760  0.53671155  0.08872148
   0.36832403  0.66974403  0.27524530
   0.14834711  0.79474199  0.07386746
   0.41716850  0.93121791  0.35102695
   0.45494661  0.88180027  0.15667507
   0.23224166  0.89486484  0.23786889
   0.29733726  0.62835023  0.47161687
   0.04081792  0.62728741  0.39344299
   0.10507918  0.55762898  0.57952683
   0.38125546  0.71538191  0.78178295
   0.11099683  0.82409232  0.50945475
   0.35712580  0.95799124  0.82739462
   0.48036655  0.88492264  0.65984737
   0.20938320  0.83526655  0.69098018
   0.30307792  0.64097870 -0.04587911
   0.05222510  0.65227522  0.91514749
   0.60045042  0.08235712  0.10908207
   0.84065361  0.18551528  0.29917371
   0.64836527  0.31661123  0.02059645
   0.82842769  0.46938835  0.35760994
   0.01793756  0.33497812  0.18482157
   0.77709030  0.39925237  0.18935195
   0.80622553  0.12344478  0.48025408
   0.54848287  0.13051017  0.42241092
   0.62160273  0.07823648  0.60970938
   0.85197197  0.20340010  0.82686905
   0.68011729  0.31923532  0.56353999
   0.89968720  0.43833449  0.83267025
   0.93894112  0.35624821  0.63733389
   0.67462687  0.47130405  0.74810053
   0.80197020  0.08659441  0.98075812
   0.55092886  0.11334073  0.91998604
   0.61381014  0.56807175  0.09092925
   0.80236992  0.70359923  0.28660131
   0.63154126  0.82777336  0.03616140
   0.89016660  0.92040429  0.36343312
   0.96121301  0.83550817  0.18118659
   0.69829808  0.88099876  0.21576536
   0.81339548  0.65281982  0.48450639
   0.55918573  0.60660022  0.39201577
   0.59509268  0.57309320  0.59117218
   0.85266593  0.68902779  0.78550590
   0.60207563  0.80703098  0.47839574
   0.94076875  0.93862798  0.84698255
   0.95428692  0.85956822  0.65924038
   0.71289620  0.91991216  0.77009057
   0.80752274  0.62075102  0.96729186
   0.57840067  0.63965074  0.90166993
   0.72449886  0.83036787  0.60520419
   0.67525676  0.88415135  0.48355338
   0.82132305  0.16386489  0.12346790
   0.77965988  0.46047531  0.29965418
   0.30127808  0.05842335  0.66614117
   0.28687788  0.68748947  0.74889390
   0.04636342  1.02490242  0.24646191
   0.13749136  0.98450704 -0.04765648
   0.65827974  0.26488098  0.72649739
   0.89738398  0.27355308  0.60981644
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802458   -0.059300   -0.075085
    -0.000000    9.910946   -0.007187
    -0.000000   -0.000000   13.746369
   Si   O    H 
    32    64    10
Direct configuration=    61
   0.17238043  0.12970987  0.01056274
   0.40025859  0.08325827  0.38401642
   0.14333699  0.39497387  0.12642336
   0.37994662  0.33236579  0.26062444
   0.15286543  0.15624008  0.50060950
   0.39567637  0.09730657  0.89166028
   0.09978858  0.40537787  0.61803348
   0.34284207  0.35044635  0.76038882
   0.16295287  0.65615713  0.01630875
   0.39609468  0.57847739  0.37489958
   0.10171886  0.91285705  0.16082906
   0.38197933  0.83589015  0.25266528
   0.13084176  0.65984457  0.48699643
   0.41704861  0.60664641  0.87279015
   0.09449488  0.91460495  0.61448411
   0.34132403  0.93238625  0.70963914
   0.65031967  0.14924210  1.01028117
   0.89686813  0.08410197  0.38245063
   0.63666567  0.41338094  0.12214069
   0.87387332  0.25242979  0.19277626
   0.64935430  0.17235094  0.51234885
   0.91977779  0.08739096  0.89780847
   0.59907268  0.42455614  0.64237621
   0.78327719  0.33793817  0.76758189
   0.65832987  0.66933425 -0.00049532
   0.87133046  0.61637821  0.37915813
   0.59885632  0.92854413  0.12943496
   0.84351835  0.84603559  0.26156837
   0.64296422  0.64847795  0.49255162
   0.90397010  0.59358511  0.87078953
   0.64232859  0.91913925  0.65867837
   0.86635042  0.84810850  0.76046328
   0.11497755  0.05697106  0.11313677
   0.36315632  0.17790257  0.28509090
   0.19615407  0.29517948  0.04165593
   0.38678967  0.41376464  0.36452238
   0.52395406  0.35285148  0.20088310
   0.26031915  0.41364500  0.20642381
   0.30287013  0.09899509  0.48018754
   0.04738388  0.12368869  0.41630198
   0.09918369  0.07585181  0.59356934
   0.33084515  0.20722160  0.81199860
   0.16351378  0.30468214  0.53609956
   0.38713442  0.45205718  0.84838223
   0.45465854  0.35350023  0.66303559
   0.19873891  0.39299478  0.71039717
   0.33840860  0.10658950 -0.00281706
   0.06240188  0.16104838  0.92125432
   0.10234442  0.53597768  0.08923934
   0.36945549  0.67229272  0.27569919
   0.14847699  0.79434129  0.07349267
   0.41652301  0.92990519  0.34924460
   0.45590747  0.88047707  0.15737192
   0.23083306  0.89464326  0.23828775
   0.29886818  0.62820544  0.47157425
   0.04138570  0.62526240  0.39248812
   0.10531385  0.55576439  0.57879322
   0.37999329  0.71571488  0.77980310
   0.11026011  0.82436371  0.51010534
   0.35787154  0.95933450  0.82840926
   0.48202392  0.88535899  0.65822423
   0.20854406  0.83585239  0.68804214
   0.30264100  0.64189551 -0.04622640
   0.05188695  0.65424799  0.91658797
   0.59856532  0.08384555  0.10959188
   0.84044478  0.18601542  0.30012381
   0.64896539  0.31680544  0.02138101
   0.82900898  0.46984786  0.35659911
   0.01770950  0.33366869  0.18629584
   0.77688165  0.39767980  0.19010903
   0.80688510  0.12437532  0.47970943
   0.54913319  0.13151184  0.42364055
   0.62158796  0.07749482  0.60956321
   0.84830893  0.20057457  0.82667812
   0.68084747  0.31717149  0.56373127
   0.90123120  0.43808317  0.83300554
   0.93889084  0.35664705  0.63754288
   0.67477941  0.47070125  0.74869789
   0.80127949  0.08642141  0.97981996
   0.55059262  0.11472696  0.92005862
   0.61257209  0.56786921  0.09113262
   0.80085495  0.70371668  0.28661355
   0.63287226  0.82797610  0.03631769
   0.89020692  0.91984388  0.36356718
   0.96260829  0.83547341  0.18129491
   0.69851251  0.88307581  0.21565597
   0.81243696  0.65205697  0.48377757
   0.55915442  0.60658314  0.39172391
   0.59582717  0.57214877  0.59074642
   0.85243265  0.68929121  0.78532920
   0.60396685  0.80904679  0.47835170
   0.93860276  0.93662359  0.84603474
   0.95151238  0.85831551  0.65987091
   0.71324044  0.91991655  0.76958829
   0.80893281  0.62178296  0.96632841
   0.57772297  0.64029889  0.90265290
   0.71533361  0.82672591  0.60566694
   0.67283687  0.87797362  0.48323452
   0.82546717  0.16302149  0.12050722
   0.77733487  0.45636648  0.29680706
   0.29853365  0.05439735  0.67141224
   0.28561815  0.69533587  0.74482416
   0.04553682  1.01978641  0.24654719
   0.14722440  0.98253762 -0.04763009
   0.65496971  0.25391183  0.72972433
   0.89606481  0.27643459  0.61210675
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804635   -0.063201   -0.074803
    -0.000000    9.913065   -0.008558
    -0.000000   -0.000000   13.746287
   Si   O    H 
    32    64    10
Direct configuration=    62
   0.17249847  0.12702464  0.01092862
   0.40039559  0.08262507  0.38466072
   0.14379505  0.39538657  0.12730497
   0.37974845  0.33268305  0.25940680
   0.15482828  0.15534418  0.50004495
   0.39682058  0.09618929  0.89122617
   0.09923992  0.40512167  0.61769689
   0.34270707  0.35023163  0.76090546
   0.16237961  0.65546845  0.01675453
   0.39628408  0.57750922  0.37392405
   0.10264154  0.91206749  0.16115531
   0.38309992  0.83541719  0.25299675
   0.13134339  0.65997088  0.48693704
   0.41722015  0.60691598  0.87331611
   0.09402171  0.91504137  0.61428525
   0.34133208  0.93201588  0.71066998
   0.65130467  0.14876465  1.01019383
   0.89673471  0.08454624  0.38124092
   0.63721112  0.41367242  0.12241027
   0.87342987  0.25269169  0.19388963
   0.64984856  0.17070605  0.51217801
   0.91875720  0.08755678  0.89670405
   0.59971883  0.42319407  0.64343929
   0.78358726  0.33920657  0.76781719
   0.65777566  0.66990500 -0.00021921
   0.87159410  0.61709203  0.37971130
   0.59905427  0.92771515  0.12967451
   0.84445852  0.84604952  0.26123570
   0.64320106  0.64832563  0.49262973
   0.90481492  0.59210854  0.87126837
   0.64152265  0.91825184  0.65881795
   0.86695858  0.84920296  0.76112982
   0.11672936  0.05642990  0.11294115
   0.36361441  0.17875010  0.28504520
   0.19395529  0.29576910  0.04193453
   0.38547429  0.41415765  0.36420138
   0.52509745  0.35200892  0.20021617
   0.26044163  0.41473184  0.20570697
   0.30278079  0.09756202  0.48055395
   0.04752690  0.12224780  0.41653798
   0.10112191  0.07477124  0.59346981
   0.33182100  0.20650649  0.81138571
   0.16468474  0.30437453  0.53647918
   0.38724340  0.45264907  0.84842608
   0.45412980  0.35259679  0.66315552
   0.19878511  0.39168303  0.71008882
   0.33942945  0.10716939 -0.00290294
   0.06313938  0.16278209  0.92212799
   0.10151232  0.53572689  0.08940866
   0.37077777  0.67519654  0.27604507
   0.14853995  0.79499843  0.07278584
   0.41676839  0.92900115  0.34769725
   0.45644050  0.87902779  0.15830341
   0.22880360  0.89531588  0.23787544
   0.29929014  0.62818164  0.47065052
   0.04164198  0.62380052  0.39184218
   0.10492191  0.55342658  0.57851716
   0.37792972  0.71543446  0.77821417
   0.10982349  0.82493036  0.51058100
   0.35852092  0.96037428  0.82954082
   0.48383188  0.88544435  0.65727155
   0.20718361  0.83603142  0.68502488
   0.30153468  0.64291203 -0.04655972
   0.05162030  0.65621462  0.91802965
   0.59735336  0.08557032  0.11011009
   0.83996182  0.18661985  0.30110227
   0.65013472  0.31712055  0.02220147
   0.82850987  0.46938442  0.35536215
   0.01735435  0.33228098  0.18708330
   0.77636342  0.39515094  0.19007965
   0.80786660  0.12427014  0.47903554
   0.54961041  0.13263957  0.42489991
   0.62203924  0.07649944  0.61006467
   0.84554298  0.19792638  0.82611311
   0.68163447  0.31579878  0.56412042
   0.90219955  0.43818725  0.83304130
   0.93878552  0.35660578  0.63821873
   0.67504615  0.46963141  0.74839492
   0.80018391  0.08605461  0.97922064
   0.55146266  0.11577951  0.91987767
   0.61094694  0.56764618  0.09163245
   0.79888776  0.70203200  0.28701692
   0.63417304  0.82834853  0.03623544
   0.89018879  0.91986482  0.36366329
   0.96329449  0.83593516  0.18194032
   0.69929324  0.88474246  0.21647913
   0.81163346  0.65143944  0.48358294
   0.55884459  0.60601495  0.39231749
   0.59656672  0.57137815  0.59009519
   0.85229426  0.68913020  0.78450660
   0.60550759  0.81098784  0.47809046
   0.93661800  0.93482042  0.84519660
   0.94910490  0.85669275  0.66036317
   0.71316767  0.92053605  0.76855650
   0.80975408  0.62273412  0.96561011
   0.57621331  0.64136792  0.90367304
   0.71465259  0.82006910  0.60534244
   0.67292721  0.87562325  0.48151943
   0.82954357  0.15775364  0.11692580
   0.77223063  0.45101009  0.29062955
   0.29472736  0.05508444  0.67691040
   0.29174810  0.70399961  0.74611033
   0.04319391  1.01842507  0.24845482
   0.15555291  0.98256062 -0.04639350
   0.65610421  0.24188154  0.73515187
   0.89422650  0.27617345  0.61029168
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807284   -0.067297   -0.074963
    -0.000000    9.915049   -0.009327
    -0.000000   -0.000000   13.746241
   Si   O    H 
    32    64    10
Direct configuration=    63
   0.17251896  0.12490068  0.01130153
   0.40107329  0.08193515  0.38514481
   0.14468122  0.39608935  0.12783040
   0.38013221  0.33292260  0.25808491
   0.15632387  0.15394736  0.49954064
   0.39755701  0.09465650  0.89077742
   0.09917572  0.40463094  0.61707598
   0.34341072  0.34962285  0.76108997
   0.16162097  0.65356348  0.01731271
   0.39673239  0.57749774  0.37307912
   0.10410464  0.91152721  0.16204032
   0.38347682  0.83523120  0.25356942
   0.13236743  0.66004610  0.48688469
   0.41718582  0.60743765  0.87372440
   0.09359210  0.91510763  0.61358748
   0.34168896  0.93117342  0.71215326
   0.65282639  0.14854595  1.01022583
   0.89616505  0.08502851  0.38039477
   0.63714927  0.41369041  0.12312626
   0.87350304  0.25294602  0.19496087
   0.65054331  0.16884980  0.51211846
   0.91753515  0.08748931  0.89535615
   0.60061270  0.42105534  0.64391507
   0.78405355  0.33961693  0.76814624
   0.65762057  0.67028124 -0.00016500
   0.87245637  0.61746725  0.38050088
   0.59935179  0.92651879  0.13012356
   0.84506163  0.84649133  0.26091594
   0.64373606  0.64754657  0.49285126
   0.90564855  0.59075476  0.87180572
   0.64129826  0.91762307  0.65891303
   0.86751805  0.85012859  0.76176406
   0.11823384  0.05685514  0.11283871
   0.36302312  0.17837884  0.28573951
   0.19183627  0.29566168  0.04187567
   0.38432244  0.41465397  0.36382310
   0.52622506  0.35114535  0.19964296
   0.26107036  0.41540556  0.20545717
   0.30306481  0.09633102  0.48058078
   0.04813570  0.12061626  0.41667629
   0.10160637  0.07393644  0.59350839
   0.33278689  0.20608668  0.81061759
   0.16532050  0.30413982  0.53644243
   0.38677609  0.45356234  0.84843056
   0.45323079  0.35162305  0.66328913
   0.19864823  0.39100460  0.70965007
   0.33945171  0.10854648 -0.00232814
   0.06344935  0.16470999  0.92318417
   0.10132011  0.53623362  0.08911214
   0.37151043  0.67806151  0.27669097
   0.14857200  0.79618702  0.07216264
   0.41656002  0.92795513  0.34681783
   0.45673604  0.87682155  0.15886784
   0.22670954  0.89459105  0.23737107
   0.29944129  0.62818341  0.46920162
   0.04210776  0.62276478  0.39128083
   0.10460723  0.55216992  0.57874793
   0.37533900  0.71496000  0.77707044
   0.10921248  0.82576954  0.51094216
   0.36002470  0.96162272  0.83070003
   0.48523351  0.88550916  0.65693300
   0.20627773  0.83636397  0.68283487
   0.30075889  0.64380934 -0.04626210
   0.05158744  0.65783171  0.91940720
   0.59689569  0.08773494  0.11027465
   0.83930356  0.18737514  0.30156203
   0.65172320  0.31766282  0.02365841
   0.82790987  0.46762458  0.35388322
   0.01702009  0.32992690  0.18814896
   0.77717556  0.39177916  0.18958840
   0.80833507  0.12412042  0.47865390
   0.54967687  0.13362155  0.42588251
   0.62274655  0.07569421  0.61042165
   0.84346858  0.19507998  0.82566977
   0.68200181  0.31413323  0.56496630
   0.90302149  0.43795552  0.83286051
   0.93842404  0.35581036  0.63850758
   0.67601724  0.46819209  0.74790779
   0.79890792  0.08517700  0.97928231
   0.55332631  0.11602882  0.91924309
   0.60911163  0.56710270  0.09195859
   0.79779639  0.70016059  0.28822397
   0.63544482  0.82803545  0.03611739
   0.88934343  0.92118159  0.36392548
   0.96352585  0.83520921  0.18249661
   0.70024085  0.88637964  0.21761958
   0.80998771  0.65130530  0.48369856
   0.55835871  0.60552753  0.39308360
   0.59714903  0.57062922  0.58895591
   0.85247282  0.68961412  0.78363044
   0.60617623  0.81178865  0.47785626
   0.93509290  0.93283355  0.84472535
   0.94652528  0.85620934  0.66037177
   0.71221709  0.92012253  0.76713908
   0.81049857  0.62455171  0.96482544
   0.57470359  0.64209002  0.90412054
   0.71253175  0.81932824  0.60675905
   0.68118816  0.88510016  0.48608062
   0.83195576  0.15424499  0.11496770
   0.77082234  0.45017330  0.28682657
   0.28863457  0.06068354  0.67659818
   0.29799898  0.71184913  0.74767643
   0.03706203  1.01771073  0.25125745
   0.15986494  0.97664680 -0.04378242
   0.66078214  0.23575495  0.74156586
   0.88745926  0.27563024  0.60958505
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809907   -0.071751   -0.074917
    -0.000000    9.917025   -0.010203
    -0.000000   -0.000000   13.745972
   Si   O    H 
    32    64    10
Direct configuration=    64
   0.17270995  0.12314928  0.01171750
   0.40118914  0.08092462  0.38499426
   0.14566915  0.39653203  0.12858834
   0.38121808  0.33307183  0.25659601
   0.15727187  0.15232446  0.49883236
   0.39816385  0.09301881  0.89053705
   0.09855239  0.40338509  0.61618622
   0.34416348  0.34931105  0.76128018
   0.15988885  0.65134646  0.01741305
   0.39684799  0.57797634  0.37225238
   0.10545084  0.91096983  0.16344591
   0.38373567  0.83533220  0.25416461
   0.13320471  0.66022495  0.48713124
   0.41736650  0.60803550  0.87354585
   0.09280846  0.91472361  0.61290840
   0.34206189  0.92959156  0.71371482
   0.65403692  0.14841483  1.01029603
   0.89538654  0.08529117  0.37970272
   0.63703536  0.41321269  0.12357183
   0.87332087  0.25332383  0.19555096
   0.65133633  0.16731130  0.51238545
   0.91607148  0.08707664  0.89396528
   0.60170094  0.41859634  0.64429610
   0.78464147  0.33947919  0.76894457
   0.65783970  0.67060946 -0.00036466
   0.87322001  0.61782340  0.38094047
   0.60028318  0.92445396  0.13014384
   0.84588888  0.84757084  0.26112386
   0.64420719  0.64673840  0.49302090
   0.90680792  0.59064105  0.87271764
   0.64188874  0.91681143  0.65903587
   0.86787250  0.85113276  0.76220285
   0.11955080  0.05704047  0.11249147
   0.36225514  0.17708220  0.28645026
   0.19061097  0.29525005  0.04216574
   0.38323543  0.41550935  0.36356292
   0.52673610  0.35100812  0.19953085
   0.26158297  0.41614522  0.20503390
   0.30311494  0.09531200  0.48042819
   0.04937466  0.11994169  0.41730287
   0.10133960  0.07170065  0.59311074
   0.33338727  0.20597516  0.80992242
   0.16656985  0.30365879  0.53666007
   0.38670842  0.45418421  0.84835692
   0.45155395  0.35087562  0.66405278
   0.19904860  0.39017727  0.70927663
   0.33955190  0.11037383 -0.00231912
   0.06346351  0.16632185  0.92394751
   0.10186417  0.53713955  0.08861848
   0.37210912  0.68034459  0.27708469
   0.14875858  0.79713838  0.07196092
   0.41670696  0.92720594  0.34631663
   0.45696202  0.87501833  0.15956063
   0.22477926  0.89397985  0.23633011
   0.29972099  0.62840618  0.46748819
   0.04321252  0.62215619  0.39038515
   0.10420669  0.55172282  0.57877995
   0.37451148  0.71384146  0.77605578
   0.10768716  0.82609815  0.51124905
   0.36183338  0.96195560  0.83209782
   0.48611188  0.88486000  0.65640384
   0.20468049  0.83677939  0.68123584
   0.30022741  0.64404233 -0.04570297
   0.05150345  0.65829839  0.92088362
   0.59578215  0.08922750  0.11015360
   0.83895953  0.18831917  0.30187401
   0.65251428  0.31829772  0.02503056
   0.82746811  0.46599026  0.35281031
   0.01689338  0.32774718  0.18898868
   0.77749710  0.38839877  0.18899208
   0.80840522  0.12412377  0.47818287
   0.54923445  0.13464295  0.42646541
   0.62294933  0.07499449  0.61041121
   0.84155225  0.19374981  0.82559245
   0.68189081  0.31310691  0.56520724
   0.90298337  0.43751826  0.83272910
   0.93816989  0.35447600  0.63838123
   0.67712134  0.46715145  0.74730565
   0.79871647  0.08376571  0.97935407
   0.55522821  0.11657748  0.91823156
   0.60794342  0.56670638  0.09248613
   0.79719804  0.69809758  0.28966639
   0.63700242  0.82784823  0.03635967
   0.88836735  0.92193196  0.36429863
   0.96386727  0.83395618  0.18319506
   0.70088284  0.88783359  0.21884945
   0.80930119  0.65184631  0.48349115
   0.55761121  0.60473743  0.39390049
   0.59717929  0.56906914  0.58786855
   0.85310547  0.68986178  0.78230392
   0.60703550  0.81255586  0.47796243
   0.93415107  0.93195354  0.84451797
   0.94470579  0.85626689  0.65977473
   0.71162245  0.91994931  0.76602254
   0.81095616  0.62639010  0.96447103
   0.57219606  0.64316311  0.90426525
   0.71319536  0.82139172  0.60979390
   0.68104769  0.88394587  0.49211696
   0.83851478  0.15271292  0.11488832
   0.77362061  0.45296051  0.28821588
   0.28481410  0.06173260  0.67366382
   0.28746859  0.71632243  0.74472130
   0.03255356  1.01842459  0.25690039
   0.15984069  0.97242306 -0.03726476
   0.66760833  0.23125225  0.74714827
   0.88332541  0.27687787  0.60990105
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812825   -0.075979   -0.074856
    -0.000000    9.918797   -0.010485
    -0.000000   -0.000000   13.745652
   Si   O    H 
    32    64    10
Direct configuration=    65
   0.17327569  0.12219202  0.01196719
   0.40133469  0.07972346  0.38463336
   0.14634858  0.39636168  0.12931393
   0.38282247  0.33311052  0.25548495
   0.15769625  0.15069643  0.49832508
   0.39866370  0.09207403  0.89042676
   0.09814843  0.40237255  0.61529615
   0.34518246  0.34888500  0.76149585
   0.15843547  0.64992451  0.01726293
   0.39696475  0.57893182  0.37162693
   0.10704964  0.91060917  0.16460414
   0.38325515  0.83522992  0.25475369
   0.13464730  0.66051412  0.48723473
   0.41787753  0.60811863  0.87305772
   0.09184473  0.91358673  0.61230876
   0.34210937  0.92783353  0.71573154
   0.65522423  0.14839116  1.01042731
   0.89509696  0.08504889  0.37933753
   0.63714268  0.41229317  0.12416043
   0.87369565  0.25337614  0.19601089
   0.65239771  0.16531052  0.51280997
   0.91526123  0.08688142  0.89262213
   0.60250518  0.41653338  0.64460594
   0.78587184  0.33903204  0.76995548
   0.65821841  0.67102274 -0.00003330
   0.87436004  0.61832147  0.38085740
   0.60121394  0.92243827  0.12951998
   0.84625250  0.84802030  0.26127683
   0.64499712  0.64629846  0.49291528
   0.90789587  0.59139692  0.87394321
   0.64317821  0.91612873  0.65915390
   0.86724825  0.85205081  0.76223776
   0.12100149  0.05741132  0.11257789
   0.36116701  0.17516370  0.28701344
   0.18905924  0.29506830  0.04280921
   0.38272389  0.41523109  0.36304138
   0.52734278  0.35099994  0.19923724
   0.26296146  0.41784054  0.20531174
   0.30331313  0.09358015  0.48016339
   0.05085334  0.11976466  0.41763519
   0.10005794  0.06943689  0.59314617
   0.33345473  0.20581286  0.80974361
   0.16716336  0.30436611  0.53655655
   0.38670855  0.45348021  0.84845707
   0.44975582  0.35064104  0.66450656
   0.19907029  0.38958541  0.70966809
   0.33906774  0.11220773 -0.00300415
   0.06327288  0.16800582  0.92422787
   0.10302071  0.53895379  0.08783075
   0.37183244  0.68134589  0.27754937
   0.14870787  0.79817458  0.07209625
   0.41766685  0.92752311  0.34631289
   0.45623581  0.87433720  0.15961319
   0.22364840  0.89334400  0.23580666
   0.29999204  0.62752982  0.46534224
   0.04412320  0.62206710  0.38966750
   0.10435002  0.55287284  0.57877734
   0.37286632  0.71277187  0.77507132
   0.10614596  0.82656342  0.51153578
   0.36413514  0.96213097  0.83339125
   0.48553314  0.88429360  0.65589625
   0.20353112  0.83775689  0.67960132
   0.30008560  0.64422850 -0.04500486
   0.05080428  0.65778053  0.92180364
   0.59439526  0.08994052  0.11080854
   0.83932816  0.18885118  0.30229439
   0.65261832  0.31885368  0.02616824
   0.82681325  0.46440097  0.35174743
   0.01607680  0.32612614  0.18954856
   0.77785491  0.38547319  0.18856110
   0.80888311  0.12421416  0.47754985
   0.54805220  0.13465164  0.42616317
   0.62251104  0.07482865  0.60980089
   0.84011708  0.19374360  0.82532057
   0.68146439  0.31234196  0.56509281
   0.90274635  0.43741578  0.83217618
   0.93783505  0.35305526  0.63812217
   0.67838132  0.46630959  0.74693403
   0.79829841  0.08230256  0.97945967
   0.55689986  0.11807313  0.91704710
   0.60669995  0.56633361  0.09247027
   0.79725121  0.69612836  0.29095491
   0.63860201  0.82734049  0.03677744
   0.88845376  0.92328355  0.36443780
   0.96470117  0.83259783  0.18423919
   0.70122595  0.88863814  0.22023279
   0.80884800  0.65317602  0.48402526
   0.55745397  0.60412731  0.39485557
   0.59690761  0.56731808  0.58705017
   0.85338536  0.69023214  0.78165299
   0.60717747  0.81314219  0.47807521
   0.93318812  0.93176206  0.84483056
   0.94389861  0.85672742  0.65926683
   0.71136008  0.91911654  0.76485573
   0.81116361  0.62848870  0.96417655
   0.56869255  0.64397409  0.90467812
   0.71532936  0.82340267  0.61206212
   0.67443470  0.87548169  0.49762775
   0.84086845  0.15566316  0.11605343
   0.78061353  0.45784674  0.29208681
   0.28641620  0.05650783  0.67007726
   0.27616524  0.71449995  0.74381683
   0.02907177  1.02108775  0.25740428
   0.15827771  0.96612505 -0.03228531
   0.67364682  0.23240957  0.75117257
   0.88320617  0.28329860  0.61098408
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815866   -0.079420   -0.075117
    -0.000000    9.920739   -0.010943
    -0.000000   -0.000000   13.745276
   Si   O    H 
    32    64    10
Direct configuration=    66
   0.17414273  0.12120483  0.01205527
   0.40144486  0.07914611  0.38448357
   0.14593615  0.39609337  0.13011817
   0.38408689  0.33326097  0.25493448
   0.15730400  0.14922940  0.49819411
   0.39923829  0.09137098  0.89008398
   0.09754857  0.40144286  0.61438389
   0.34645472  0.34920475  0.76163721
   0.15679363  0.64898739  0.01703181
   0.39693942  0.58054813  0.37097872
   0.10832077  0.91037894  0.16569806
   0.38271702  0.83553387  0.25507675
   0.13607402  0.66106215  0.48711764
   0.41825046  0.60813639  0.87225580
   0.09130108  0.91164504  0.61201174
   0.34224183  0.92710795  0.71784520
   0.65655986  0.14829295  1.01007697
   0.89535086  0.08540169  0.37885247
   0.63691601  0.41046337  0.12441433
   0.87396292  0.25223159  0.19659937
   0.65316162  0.16347842  0.51349332
   0.91480213  0.08669668  0.89167856
   0.60333257  0.41509222  0.64474298
   0.78683465  0.33787574  0.77096306
   0.65855897  0.67101330  0.00045754
   0.87608710  0.61843675  0.38032107
   0.60176206  0.92127294  0.12887434
   0.84684179  0.84756081  0.26138599
   0.64523234  0.64602500  0.49298517
   0.90890597  0.59258087  0.87472055
   0.64420296  0.91521585  0.65911128
   0.86747521  0.85308478  0.76228202
   0.12285446  0.05850133  0.11316345
   0.36046626  0.17321068  0.28821467
   0.18835909  0.29437712  0.04345887
   0.38200073  0.41502506  0.36231772
   0.52835674  0.35174341  0.19922453
   0.26445899  0.41989464  0.20564049
   0.30369090  0.09123567  0.47969505
   0.05300042  0.11883245  0.41759815
   0.09835711  0.06789918  0.59314747
   0.33367277  0.20525715  0.80974494
   0.16718774  0.30435765  0.53603633
   0.38599602  0.45313624  0.84814688
   0.44877132  0.35065062  0.66497030
   0.19912196  0.38909701  0.71058644
   0.33848991  0.11382569 -0.00372633
   0.06250412  0.16897695  0.92438979
   0.10424171  0.54079109  0.08649679
   0.37097473  0.68100874  0.27814973
   0.14909018  0.79851673  0.07229192
   0.41868598  0.92823640  0.34621108
   0.45576228  0.87393913  0.15872243
   0.22308314  0.89221375  0.23582893
   0.30003945  0.62676675  0.46318738
   0.04460509  0.62255445  0.38911518
   0.10381433  0.55403327  0.57814467
   0.37112728  0.71210311  0.77407130
   0.10461155  0.82605908  0.51196043
   0.36696133  0.96173105  0.83439484
   0.48509226  0.88368125  0.65592921
   0.20278706  0.83922384  0.67804971
   0.30032972  0.64346469 -0.04449249
   0.05040870  0.65713826  0.92232786
   0.59406636  0.09094520  0.11170778
   0.83997636  0.18995021  0.30195393
   0.65284915  0.31873160  0.02714637
   0.82684418  0.46315757  0.35104335
   0.01597845  0.32571845  0.19033132
   0.77747834  0.38317833  0.18831755
   0.80925180  0.12406234  0.47744337
   0.54625578  0.13500336  0.42575564
   0.62195358  0.07374678  0.60945164
   0.83827882  0.19367538  0.82478359
   0.68073489  0.31256693  0.56551375
   0.90316153  0.43700928  0.83176960
   0.93796010  0.35210004  0.63876790
   0.67948096  0.46577278  0.74668297
   0.79864556  0.08102227  0.98038768
   0.55875070  0.11978849  0.91564566
   0.60480980  0.56581053  0.09247421
   0.79803891  0.69455071  0.29217946
   0.64053157  0.82676438  0.03722130
   0.88898181  0.92441958  0.36382174
   0.96521476  0.83144939  0.18501067
   0.70174164  0.89043768  0.22152870
   0.80856919  0.65447436  0.48437323
   0.55729503  0.60384417  0.39575819
   0.59706337  0.56486498  0.58643959
   0.85382960  0.69094190  0.78147981
   0.60740119  0.81356707  0.47796930
   0.93153452  0.93281958  0.84614103
   0.94405981  0.85690401  0.65827050
   0.70943175  0.91823084  0.76395968
   0.81086386  0.63080972  0.96394057
   0.56581150  0.64442484  0.90403057
   0.72145832  0.82404035  0.61366025
   0.67224003  0.87725822  0.50668002
   0.84304106  0.15933712  0.11675739
   0.77848601  0.46389187  0.28810573
   0.29165393  0.04809541  0.66835455
   0.27307662  0.70399369  0.75024371
   0.02870250  1.02624534  0.25728813
   0.16071576  0.96507522 -0.02649038
   0.67682901  0.23824424  0.75295693
   0.87800894  0.28474807  0.61211113
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819189   -0.082364   -0.075202
    -0.000000    9.922739   -0.011773
    -0.000000   -0.000000   13.744899
   Si   O    H 
    32    64    10
Direct configuration=    67
   0.17448326  0.12028559  0.01221423
   0.40197675  0.07848264  0.38414017
   0.14500321  0.39541293  0.13117538
   0.38510885  0.33324505  0.25466472
   0.15632468  0.14783013  0.49857596
   0.39983444  0.09148680  0.88963970
   0.09729329  0.40072510  0.61403581
   0.34733312  0.34968846  0.76156888
   0.15561254  0.64826159  0.01626527
   0.39656754  0.58166880  0.37052294
   0.10925965  0.91059273  0.16660236
   0.38151393  0.83627919  0.25553402
   0.13782807  0.66193839  0.48709225
   0.41810481  0.60848484  0.87096157
   0.09041632  0.90969751  0.61152143
   0.34240415  0.92649689  0.71962915
   0.65754759  0.14835562  1.00962701
   0.89563745  0.08531021  0.37869297
   0.63668592  0.40942697  0.12438483
   0.87388180  0.25077064  0.19693118
   0.65401824  0.16210223  0.51423141
   0.91467153  0.08599966  0.89080174
   0.60393370  0.41376213  0.64514491
   0.78817692  0.33655655  0.77181256
   0.65911270  0.67095453  0.00107545
   0.87792192  0.61826851  0.37944843
   0.60207078  0.92064296  0.12838770
   0.84702135  0.84703429  0.26142217
   0.64547081  0.64689147  0.49288568
   0.90936937  0.59379651  0.87564293
   0.64591992  0.91555851  0.65881266
   0.86726588  0.85397072  0.76174557
   0.12481864  0.06006285  0.11378300
   0.35990460  0.17184375  0.28892945
   0.18792314  0.29363002  0.04452102
   0.38146248  0.41522477  0.36142931
   0.52918551  0.35223650  0.19946086
   0.26528031  0.42154787  0.20568904
   0.30401665  0.08859948  0.47934478
   0.05388944  0.11787421  0.41698671
   0.09675870  0.06683924  0.59318658
   0.33373822  0.20472199  0.81022157
   0.16699619  0.30373216  0.53496177
   0.38524661  0.45325780  0.84759226
   0.44764659  0.34997478  0.66567194
   0.19894737  0.38939083  0.71136550
   0.33831886  0.11546975 -0.00425885
   0.06152793  0.16900937  0.92458733
   0.10525050  0.54244766  0.08545471
   0.37057348  0.67985701  0.27859705
   0.15001936  0.79828810  0.07260023
   0.41936441  0.92868906  0.34666994
   0.45476581  0.87312761  0.15749694
   0.22457108  0.89045291  0.23606091
   0.29993905  0.62560310  0.46074743
   0.04492174  0.62264880  0.38852534
   0.10309280  0.55544649  0.57688939
   0.37005969  0.71193090  0.77323298
   0.10340326  0.82499366  0.51175485
   0.36933497  0.96017658  0.83543827
   0.48384123  0.88326485  0.65637951
   0.20198720  0.84045427  0.67746902
   0.30129668  0.64309351 -0.04430526
   0.04968005  0.65572005  0.92298887
   0.59491532  0.09195643  0.11254267
   0.84056911  0.19059307  0.30227340
   0.65343257  0.31850768  0.02848185
   0.82717731  0.46176538  0.35024428
   0.01615167  0.32567478  0.19122632
   0.77618747  0.38207461  0.18839184
   0.80970574  0.12450903  0.47782526
   0.54457780  0.13564990  0.42558629
   0.62173218  0.07250902  0.60928122
   0.83687297  0.19318260  0.82389982
   0.68006941  0.31245502  0.56551372
   0.90366502  0.43646798  0.83128110
   0.93801729  0.35162995  0.63946736
   0.67993299  0.46520320  0.74594411
   0.79934531  0.07972127  0.98149399
   0.56070779  0.12110333  0.91457916
   0.60292788  0.56500490  0.09269394
   0.79919448  0.69341760  0.29317095
   0.64196500  0.82607788  0.03733625
   0.88889298  0.92487972  0.36332437
   0.96588052  0.83049319  0.18536023
   0.70142037  0.89271951  0.22295234
   0.80905993  0.65504728  0.48435969
   0.55698250  0.60343188  0.39732733
   0.59736891  0.56213606  0.58542116
   0.85397715  0.69083118  0.78204694
   0.60811987  0.81370733  0.47804704
   0.93022512  0.93432921  0.84751725
   0.94505308  0.85759003  0.65735274
   0.70750110  0.91755160  0.76357608
   0.81084281  0.63340613  0.96380000
   0.56385896  0.64530738  0.90433861
   0.72601514  0.82388505  0.61577145
   0.67346530  0.88072265  0.51683928
   0.84357074  0.16130692  0.11728038
   0.77124477  0.46770025  0.28449698
   0.29777323  0.03871974  0.66646259
   0.27534011  0.68998162  0.75934809
   0.02999029  1.03535457  0.25543669
   0.16111225  0.96556210 -0.02248073
   0.67263342  0.24097429  0.74991369
   0.86849164  0.28370161  0.61164003
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822655   -0.085262   -0.075545
    -0.000000    9.924657   -0.012869
    -0.000000   -0.000000   13.744411
   Si   O    H 
    32    64    10
Direct configuration=    68
   0.17508215  0.11950470  0.01239433
   0.40241558  0.07776123  0.38397765
   0.14440481  0.39513909  0.13209797
   0.38590126  0.33279674  0.25479065
   0.15567530  0.14677211  0.49896618
   0.40071702  0.09212028  0.88933813
   0.09724827  0.39960992  0.61344030
   0.34801982  0.35063444  0.76139814
   0.15560560  0.64801662  0.01506815
   0.39620368  0.58298071  0.37068782
   0.10977396  0.91092558  0.16742368
   0.37986439  0.83717713  0.25568930
   0.13909455  0.66321845  0.48715283
   0.41723642  0.60926488  0.86912648
   0.08849488  0.90744308  0.61077012
   0.34278309  0.92474932  0.72066069
   0.65833617  0.14906989  1.00898509
   0.89556048  0.08586943  0.37870697
   0.63694103  0.40902545  0.12431012
   0.87393297  0.24963326  0.19681650
   0.65484507  0.16113210  0.51506558
   0.91472601  0.08535233  0.89025140
   0.60437273  0.41282060  0.64512062
   0.78944538  0.33529482  0.77274672
   0.65989110  0.67169313  0.00148278
   0.88003314  0.61779917  0.37889503
   0.60280263  0.92085836  0.12761195
   0.84735687  0.84678775  0.26209809
   0.64510179  0.64798679  0.49311981
   0.90958047  0.59438153  0.87657210
   0.64719814  0.91570232  0.65834717
   0.86692313  0.85452510  0.76109345
   0.12609362  0.06168188  0.11496735
   0.35905685  0.17057443  0.28925849
   0.18726450  0.29314101  0.04571980
   0.38114491  0.41501438  0.36003943
   0.52888430  0.35188853  0.19885808
   0.26682777  0.42336489  0.20558683
   0.30466364  0.08518876  0.47875111
   0.05403666  0.11662013  0.41656609
   0.09507533  0.06551576  0.59292986
   0.33468327  0.20430212  0.81011873
   0.16655205  0.30300174  0.53476106
   0.38448968  0.45309909  0.84725798
   0.44695344  0.35021408  0.66673003
   0.19915374  0.38973939  0.71257941
   0.33867394  0.11682586 -0.00475938
   0.06007771  0.16878584  0.92486553
   0.10643701  0.54346781  0.08525846
   0.36965873  0.67912176  0.27902688
   0.15079116  0.79783410  0.07300780
   0.42078387  0.92878151  0.34728340
   0.45456165  0.87246328  0.15566967
   0.22712560  0.88867651  0.23704054
   0.29884611  0.62461336  0.45833485
   0.04561713  0.62336459  0.38785793
   0.10289416  0.55644116  0.57530180
   0.36937011  0.71147791  0.77228884
   0.10223331  0.82355107  0.51133121
   0.37164817  0.95785392  0.83580663
   0.48233522  0.88305103  0.65682048
   0.20184706  0.84194946  0.67752894
   0.30205574  0.64273943 -0.04324126
   0.04900699  0.65412556  0.92337114
   0.59485730  0.09204751  0.11324836
   0.84162785  0.19131375  0.30226296
   0.65483003  0.31840434  0.02901489
   0.82759212  0.46049098  0.34953624
   0.01663714  0.32589595  0.19203176
   0.77422168  0.38178168  0.18825131
   0.81078394  0.12503925  0.47846792
   0.54329781  0.13633258  0.42562729
   0.62232206  0.07095670  0.60954124
   0.83559921  0.19275312  0.82340602
   0.67937319  0.31222736  0.56515455
   0.90431582  0.43619133  0.83115118
   0.93722250  0.35018761  0.64025759
   0.68059705  0.46448913  0.74544833
   0.80013047  0.07878935  0.98293864
   0.56261542  0.12206028  0.91367986
   0.60136921  0.56445533  0.09276150
   0.80109107  0.69302939  0.29385906
   0.64378941  0.82537307  0.03662882
   0.88852840  0.92570347  0.36243651
   0.96566054  0.82917383  0.18607832
   0.70185704  0.89527131  0.22385113
   0.80946820  0.65469771  0.48428194
   0.55704116  0.60365171  0.39873301
   0.59634176  0.55922295  0.58440185
   0.85399634  0.69133062  0.78307668
   0.60846329  0.81329859  0.47909430
   0.92888231  0.93553071  0.84967399
   0.94631190  0.85830147  0.65640276
   0.70551172  0.91693632  0.76381588
   0.80998428  0.63574494  0.96381375
   0.56276916  0.64646542  0.90476169
   0.72866940  0.82096697  0.61368841
   0.66718466  0.87265999  0.52324539
   0.84541028  0.15846364  0.11811673
   0.76576881  0.46771622  0.28771146
   0.30291313  0.03870226  0.66098556
   0.27780974  0.68025455  0.76451635
   0.03438425  1.04492227  0.25450908
   0.16170048  0.96837961 -0.02049265
   0.66034972  0.24051702  0.74266599
   0.86367145  0.28374076  0.61387966
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826205   -0.088503   -0.075287
    -0.000000    9.926060   -0.013769
    -0.000000   -0.000000   13.743737
   Si   O    H 
    32    64    10
Direct configuration=    69
   0.17538280  0.11916274  0.01210462
   0.40263511  0.07695254  0.38364956
   0.14356515  0.39437360  0.13267420
   0.38662246  0.33166783  0.25547261
   0.15498884  0.14563995  0.49951885
   0.40186438  0.09328068  0.88932644
   0.09710181  0.39847898  0.61297843
   0.34870504  0.35157273  0.76109805
   0.15564574  0.64872721  0.01385828
   0.39647650  0.58451754  0.37056144
   0.10993841  0.91085874  0.16822596
   0.37795537  0.83802880  0.25535779
   0.14006282  0.66470481  0.48728247
   0.41668290  0.61029471  0.86723659
   0.08739063  0.90505073  0.60989224
   0.34313545  0.92229436  0.72128140
   0.65922814  0.14965196  1.00862333
   0.89569008  0.08682095  0.37901998
   0.63721597  0.40909124  0.12428345
   0.87436417  0.24874711  0.19621848
   0.65576099  0.15992641  0.51596102
   0.91462110  0.08476738  0.88998962
   0.60479710  0.41137523  0.64529483
   0.79061966  0.33406676  0.77374565
   0.66066341  0.67219465  0.00157484
   0.88185623  0.61732977  0.37857612
   0.60361903  0.92138419  0.12688029
   0.84734327  0.84641374  0.26276176
   0.64523528  0.64884879  0.49290619
   0.90923756  0.59440553  0.87719854
   0.64850010  0.91564008  0.65779086
   0.86587443  0.85435263  0.75993379
   0.12749557  0.06280856  0.11657444
   0.35784920  0.16914924  0.28988655
   0.18677248  0.29250323  0.04672349
   0.38146599  0.41529337  0.35876107
   0.52878536  0.35104848  0.19851787
   0.26811406  0.42490082  0.20519507
   0.30553556  0.08256293  0.47764272
   0.05375247  0.11579051  0.41571477
   0.09391174  0.06429847  0.59265624
   0.33519674  0.20428855  0.81042014
   0.16599191  0.30161580  0.53428018
   0.38456369  0.45293457  0.84704758
   0.44667250  0.35063822  0.66751640
   0.19939389  0.38998216  0.71346943
   0.33914890  0.11797865 -0.00568519
   0.05737296  0.16858640  0.92499245
   0.10743037  0.54246483  0.08592290
   0.36973224  0.67806606  0.27898315
   0.15105583  0.79704511  0.07301944
   0.42283727  0.92994991  0.34819367
   0.45514770  0.87195178  0.15452597
   0.23069971  0.88697818  0.23777491
   0.29701726  0.62425992  0.45663737
   0.04660114  0.62373812  0.38763766
   0.10167910  0.55702396  0.57418049
   0.36835753  0.71082483  0.77097274
   0.10105990  0.82230031  0.51042061
   0.37269520  0.95506742  0.83540778
   0.48078232  0.88238766  0.65768019
   0.20140666  0.84277979  0.67823165
   0.30316007  0.64181033 -0.04255694
   0.04792851  0.65293516  0.92370249
   0.59544708  0.09233753  0.11369124
   0.84276443  0.19122367  0.30241225
   0.65653998  0.31711923  0.02896358
   0.82780656  0.45902356  0.34886701
   0.01723146  0.32601300  0.19255494
   0.77305600  0.38188650  0.18800949
   0.81108329  0.12565335  0.47918831
   0.54304091  0.13713861  0.42581077
   0.62281778  0.06847751  0.60952659
   0.83399507  0.19209669  0.82285490
   0.67892632  0.31211582  0.56510684
   0.90512113  0.43560928  0.83128630
   0.93678770  0.34873506  0.64147846
   0.68120734  0.46369224  0.74489388
   0.80171647  0.07827140  0.98378663
   0.56385151  0.12221882  0.91216683
   0.60007230  0.56364460  0.09309566
   0.80332255  0.69428824  0.29441502
   0.64547759  0.82460827  0.03513485
   0.88782849  0.92608203  0.36217087
   0.96567307  0.82810726  0.18647285
   0.70306402  0.89795499  0.22501982
   0.81001151  0.65482731  0.48423898
   0.55655317  0.60284582  0.39957029
   0.59466617  0.55635758  0.58291736
   0.85475309  0.69298102  0.78432952
   0.60923714  0.81359306  0.47956512
   0.92786355  0.93723685  0.85193325
   0.94715436  0.85916524  0.65498656
   0.70479850  0.91676159  0.76408428
   0.80904957  0.63787864  0.96385186
   0.56254604  0.64776520  0.90500341
   0.72685588  0.81872662  0.61184853
   0.65972236  0.86333170  0.52736853
   0.84571662  0.15267537  0.11870327
   0.76559928  0.46828230  0.29260691
   0.30887810  0.04349071  0.65702889
   0.27710998  0.67315657  0.76243293
   0.04393308  1.05143276  0.25393352
   0.16113310  0.97091673 -0.02042427
   0.64934409  0.24335508  0.73684502
   0.86774746  0.28732435  0.61726753
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830146   -0.091783   -0.074550
    -0.000000    9.927545   -0.014870
    -0.000000   -0.000000   13.742983
   Si   O    H 
    32    64    10
Direct configuration=    70
   0.17506197  0.11913737  0.01178665
   0.40312438  0.07669399  0.38309620
   0.14306198  0.39413786  0.13323606
   0.38702652  0.33046512  0.25637493
   0.15435620  0.14387898  0.50033577
   0.40348516  0.09463347  0.88946156
   0.09638733  0.39717849  0.61258287
   0.34855617  0.35282764  0.76052579
   0.15555972  0.64994112  0.01294025
   0.39641172  0.58584082  0.37092836
   0.10945423  0.91006214  0.16890390
   0.37662409  0.83857956  0.25533578
   0.14081848  0.66657847  0.48748370
   0.41528718  0.61087579  0.86569535
   0.08577650  0.90332532  0.60904237
   0.34290317  0.92068499  0.72123761
   0.65961002  0.14985203  1.00839163
   0.89611541  0.08686143  0.37908478
   0.63710691  0.40905224  0.12429059
   0.87520578  0.24719459  0.19596419
   0.65676124  0.15881833  0.51651661
   0.91498585  0.08448204  0.88993397
   0.60516483  0.40958848  0.64530867
   0.79116794  0.33294193  0.77461515
   0.66128963  0.67234991  0.00156091
   0.88297523  0.61627236  0.37873976
   0.60435465  0.92211443  0.12584317
   0.84690035  0.84577774  0.26367264
   0.64571115  0.64936441  0.49262354
   0.90970465  0.59411305  0.87747957
   0.64952993  0.91558650  0.65740097
   0.86478987  0.85379192  0.75899654
   0.12875771  0.06348254  0.11836000
   0.35616721  0.16867935  0.29039223
   0.18588362  0.29240992  0.04783405
   0.38165208  0.41536012  0.35735732
   0.52841118  0.34977515  0.19797596
   0.26923797  0.42610413  0.20491847
   0.30609810  0.08098126  0.47660517
   0.05324513  0.11487985  0.41493968
   0.09265138  0.06318643  0.59258393
   0.33585884  0.20504829  0.81093561
   0.16567404  0.30047215  0.53387275
   0.38490012  0.45227196  0.84751186
   0.44596279  0.35225672  0.66813338
   0.19905173  0.39021853  0.71390426
   0.33986358  0.11882691 -0.00698818
   0.05437367  0.16741896  0.92622763
   0.10840107  0.53986799  0.08689742
   0.37078993  0.67694531  0.27922934
   0.15082355  0.79595334  0.07344959
   0.42498288  0.93057551  0.34879833
   0.45643872  0.87237660  0.15392192
   0.23385692  0.88504211  0.23889569
   0.29485309  0.62327858  0.45566442
   0.04703599  0.62447082  0.38659669
   0.10122973  0.55718915  0.57358917
   0.36792047  0.71067630  0.77015520
   0.09954590  0.81987698  0.50919590
   0.37393466  0.95186891  0.83520696
   0.47926954  0.88166679  0.65868448
   0.20194812  0.84253533  0.67933792
   0.30416861  0.64015275 -0.04163059
   0.04766840  0.65147819  0.92365365
   0.59675407  0.09199395  0.11358754
   0.84396645  0.19075864  0.30279922
   0.65861661  0.31547091  0.02839016
   0.82820720  0.45827732  0.34886886
   0.01780504  0.32606367  0.19295783
   0.77168651  0.38248196  0.18819498
   0.81032721  0.12624151  0.48011009
   0.54261687  0.13834388  0.42607925
   0.62338181  0.06663077  0.60878675
   0.83317380  0.19083485  0.82193372
   0.67835374  0.31222414  0.56486282
   0.90631754  0.43522103  0.83121857
   0.93674195  0.34817008  0.64231996
   0.68219352  0.46297151  0.74444662
   0.80429651  0.07767401  0.98415891
   0.56563409  0.12251256  0.91083671
   0.59928106  0.56299850  0.09387428
   0.80550415  0.69581686  0.29521600
   0.64686142  0.82303383  0.03304403
   0.88759296  0.92620664  0.36243079
   0.96574977  0.82700568  0.18690802
   0.70413500  0.90042415  0.22608466
   0.81126053  0.65449374  0.48456401
   0.55546170  0.60218235  0.40056860
   0.59253826  0.55319046  0.58111421
   0.85658553  0.69417913  0.78484212
   0.60995084  0.81300930  0.48035155
   0.92765429  0.93713431  0.85398493
   0.94742100  0.85968167  0.65448383
   0.70476158  0.91623832  0.76517376
   0.80876891  0.63986993  0.96430703
   0.56353133  0.64923679  0.90527857
   0.72816593  0.81766207  0.61458719
   0.65712959  0.86424835  0.53311432
   0.83669026  0.14546051  0.12021925
   0.76206519  0.46623621  0.29765793
   0.31589549  0.04996868  0.65727908
   0.27360322  0.66810886  0.75603987
   0.05531260  1.05636013  0.25484774
   0.16013937  0.97167622 -0.02306307
   0.64586014  0.24800610  0.73421752
   0.87062753  0.29047350  0.62057990
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833571   -0.095316   -0.074039
    -0.000000    9.928949   -0.016159
    -0.000000   -0.000000   13.742466
   Si   O    H 
    32    64    10
Direct configuration=    71
   0.17456291  0.11922731  0.01176355
   0.40399360  0.07613656  0.38283584
   0.14240445  0.39368331  0.13332286
   0.38776487  0.32865735  0.25710637
   0.15461954  0.14253660  0.50112073
   0.40574113  0.09610283  0.88989634
   0.09590876  0.39631024  0.61229727
   0.34817003  0.35364503  0.76023902
   0.15542215  0.65108746  0.01185719
   0.39615953  0.58615746  0.37170078
   0.10899660  0.90907480  0.16924226
   0.37582371  0.83927764  0.25559153
   0.14109233  0.66814094  0.48720350
   0.41474943  0.61099220  0.86426828
   0.08400329  0.90152511  0.60822780
   0.34227454  0.91855749  0.72085461
   0.66015968  0.15041610  1.00800901
   0.89622858  0.08665002  0.37915453
   0.63652806  0.40906225  0.12425070
   0.87591245  0.24577553  0.19586209
   0.65781608  0.15789815  0.51695152
   0.91539371  0.08476027  0.89006232
   0.60485549  0.40769411  0.64543225
   0.79137143  0.33219496  0.77555330
   0.66175047  0.67221498  0.00165073
   0.88321455  0.61447816  0.37903709
   0.60524943  0.92247931  0.12509065
   0.84640336  0.84542970  0.26476433
   0.64618169  0.64965323  0.49233419
   0.90911556  0.59359435  0.87768257
   0.65009207  0.91560753  0.65700852
   0.86322551  0.85357449  0.75827481
   0.12961374  0.06429385  0.11960499
   0.35459960  0.16891646  0.29116682
   0.18550702  0.29185716  0.04891923
   0.38179787  0.41587484  0.35610450
   0.52779394  0.34826480  0.19714308
   0.27091449  0.42660264  0.20436426
   0.30625974  0.07989117  0.47575623
   0.05245053  0.11414168  0.41421159
   0.09105825  0.06262523  0.59235143
   0.33611416  0.20636939  0.81062614
   0.16575677  0.29982439  0.53254738
   0.38631699  0.45210814  0.84806353
   0.44672262  0.35477129  0.66865739
   0.19887559  0.39058230  0.71387312
   0.34053328  0.11979031 -0.00813271
   0.05171401  0.16626227  0.92770112
   0.11013320  0.53627010  0.08793364
   0.37163013  0.67577574  0.27937678
   0.15048174  0.79518360  0.07417332
   0.42749351  0.93089936  0.34889767
   0.45736864  0.87308355  0.15401917
   0.23537505  0.88414340  0.24007382
   0.29245448  0.62196333  0.45552097
   0.04788372  0.62496523  0.38530430
   0.10061891  0.55626137  0.57350217
   0.36612328  0.71014435  0.76954828
   0.09806996  0.81784267  0.50786074
   0.37462132  0.94912519  0.83522006
   0.47772336  0.88081562  0.65983960
   0.20192816  0.84127189  0.68076894
   0.30478422  0.63921252 -0.04072651
   0.04787077  0.65014981  0.92400306
   0.59841410  0.09127173  0.11345107
   0.84482034  0.19020829  0.30303240
   0.66052492  0.31390635  0.02773271
   0.82917533  0.45851017  0.34894345
   0.01851505  0.32612143  0.19336606
   0.77031115  0.38268149  0.18869603
   0.80966689  0.12695687  0.48087033
   0.54294244  0.13923259  0.42630672
   0.62455367  0.06463823  0.60792002
   0.83292049  0.18884545  0.82132632
   0.67773402  0.31197336  0.56412935
   0.90770541  0.43538930  0.83076665
   0.93815332  0.34808016  0.64278797
   0.68327895  0.46264155  0.74414989
   0.80607635  0.07726662  0.98463899
   0.56734127  0.12242122  0.90925127
   0.59959671  0.56272232  0.09437767
   0.80788683  0.69748564  0.29556058
   0.64801502  0.82181020  0.03077006
   0.88698434  0.92674899  0.36241158
   0.96660718  0.82595509  0.18735114
   0.70447725  0.90265528  0.22705707
   0.81262564  0.65463780  0.48509276
   0.55440448  0.60159710  0.40107337
   0.59102933  0.55006600  0.57951299
   0.85791531  0.69608913  0.78543679
   0.61043111  0.81308251  0.48102349
   0.92781534  0.93664893  0.85605460
   0.94707734  0.86019685  0.65437963
   0.70498410  0.91567989  0.76606120
   0.80853068  0.64175049  0.96406649
   0.56401030  0.64985339  0.90639902
   0.73057366  0.81516467  0.62010882
   0.65330625  0.87152112  0.53694211
   0.82826515  0.13973346  0.12196658
   0.75299591  0.46559174  0.29819694
   0.32063110  0.05428512  0.66133962
   0.27709143  0.66789322  0.74778050
   0.06463327  1.05936596  0.25483557
   0.15708801  0.96901651 -0.02765658
   0.64520614  0.25240900  0.73474701
   0.86405550  0.28392798  0.61969622
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837290   -0.099840   -0.073457
    -0.000000    9.930423   -0.017385
    -0.000000   -0.000000   13.742089
   Si   O    H 
    32    64    10
Direct configuration=    72
   0.17400367  0.11990594  0.01175961
   0.40441788  0.07548052  0.38274888
   0.14230912  0.39315382  0.13382303
   0.38833001  0.32685034  0.25747407
   0.15506684  0.14108738  0.50193384
   0.40737387  0.09744449  0.88994297
   0.09584913  0.39515300  0.61238207
   0.34792473  0.35445329  0.75981867
   0.15535891  0.65197986  0.01101764
   0.39603062  0.58595471  0.37240769
   0.10818367  0.90820921  0.16928755
   0.37554495  0.83959302  0.25580331
   0.14118878  0.66885900  0.48684482
   0.41343459  0.61154299  0.86309784
   0.08302141  0.89981698  0.60745669
   0.34144854  0.91622431  0.72080062
   0.66040748  0.15083624  1.00723773
   0.89634572  0.08645919  0.37962355
   0.63627597  0.40882384  0.12389297
   0.87667009  0.24501327  0.19586023
   0.65876511  0.15699199  0.51741003
   0.91598183  0.08527753  0.89109632
   0.60463791  0.40562110  0.64555029
   0.79100864  0.33160050  0.77592315
   0.66196675  0.67136905  0.00187867
   0.88350156  0.61260214  0.37956181
   0.60644221  0.92227537  0.12461281
   0.84589856  0.84547729  0.26589851
   0.64596512  0.65004813  0.49231683
   0.90864331  0.59357084  0.87812990
   0.64916154  0.91568208  0.65679879
   0.86142040  0.85317056  0.75802633
   0.13037250  0.06418975  0.12040277
   0.35340543  0.17027354  0.29135433
   0.18473505  0.29072588  0.04988139
   0.38210213  0.41735703  0.35554882
   0.52654228  0.34666478  0.19605795
   0.27293708  0.42653505  0.20387092
   0.30596319  0.07883561  0.47507266
   0.05157081  0.11350390  0.41337683
   0.08854554  0.06202936  0.59207307
   0.33599427  0.20739670  0.81069038
   0.16599853  0.29950489  0.53109588
   0.38729174  0.45263550  0.84921648
   0.44786295  0.35757207  0.66924977
   0.19947007  0.39119763  0.71447794
   0.34090477  0.12062402 -0.00857464
   0.04902159  0.16413663  0.92948133
   0.11160957  0.53263991  0.08948776
   0.37187589  0.67607158  0.27950517
   0.14975542  0.79500154  0.07483994
   0.43036957  0.93059331  0.34848722
   0.45769849  0.87287004  0.15447445
   0.23596201  0.88405464  0.24109790
   0.28965535  0.62099673  0.45602284
   0.04910948  0.62542438  0.38466328
   0.10023654  0.55540324  0.57372180
   0.36498270  0.70906025  0.76919807
   0.09630425  0.81627045  0.50714512
   0.37541604  0.94657230  0.83511154
   0.47718661  0.88004142  0.66097726
   0.20117825  0.84044182  0.68188260
   0.30608349  0.63876768 -0.03961590
   0.04832962  0.64870563  0.92412272
   0.59935914  0.09065591  0.11270072
   0.84527484  0.18912760  0.30333963
   0.66224425  0.31295500  0.02686119
   0.83089064  0.45932719  0.34992010
   0.02014441  0.32574918  0.19397371
   0.76957369  0.38330982  0.18879598
   0.80933549  0.12721686  0.48100534
   0.54355362  0.14001970  0.42633622
   0.62618708  0.06233621  0.60774311
   0.83278106  0.18718282  0.82098369
   0.67731001  0.31098793  0.56353611
   0.90952443  0.43612841  0.83007998
   0.93861166  0.34803897  0.64348609
   0.68433886  0.46226448  0.74363047
   0.80737846  0.07631800  0.98505195
   0.56910743  0.12229196  0.90787127
   0.60080457  0.56263692  0.09452582
   0.81016472  0.69916608  0.29604712
   0.64970397  0.82100345  0.02910851
   0.88728196  0.92729697  0.36250660
   0.96692066  0.82596449  0.18773716
   0.70400008  0.90472684  0.22750891
   0.81364757  0.65524830  0.48594162
   0.55334647  0.60133108  0.40074858
   0.58996355  0.54706193  0.57818999
   0.86019990  0.69715504  0.78646607
   0.61102980  0.81372311  0.48238059
   0.92801494  0.93544764  0.85732912
   0.94550626  0.86103970  0.65413619
   0.70534442  0.91606092  0.76697250
   0.80899682  0.64304062  0.96416702
   0.56380550  0.64989484  0.90700655
   0.73713209  0.80636959  0.62005346
   0.64428861  0.87067113  0.53078582
   0.82188020  0.14028726  0.12354777
   0.74819356  0.46550318  0.30124458
   0.32225288  0.05733322  0.66807765
   0.28503647  0.66770211  0.74082938
   0.07312761  1.06079045  0.25429401
   0.15464005  0.96735809 -0.02937887
   0.65156324  0.25481318  0.73635868
   0.86245408  0.28077155  0.61594023
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841398   -0.104431   -0.072792
    -0.000000    9.931110   -0.018694
    -0.000000   -0.000000   13.742224
   Si   O    H 
    32    64    10
Direct configuration=    73
   0.17343296  0.12107240  0.01186110
   0.40465437  0.07534159  0.38279723
   0.14280382  0.39212093  0.13411909
   0.38821440  0.32509205  0.25757231
   0.15551648  0.14000654  0.50231293
   0.40860343  0.09835684  0.88934518
   0.09575598  0.39451341  0.61244572
   0.34719297  0.35539050  0.75982008
   0.15559663  0.65317598  0.01018550
   0.39592663  0.58466189  0.37293123
   0.10818530  0.90666656  0.16928401
   0.37635330  0.83965554  0.25609021
   0.14147839  0.66906248  0.48635168
   0.41136509  0.61195230  0.86289407
   0.08222031  0.89865561  0.60660861
   0.34111227  0.91420581  0.72059300
   0.66079083  0.15156351  1.00649005
   0.89627189  0.08650158  0.38031054
   0.63660616  0.40882851  0.12356659
   0.87800932  0.24416716  0.19532237
   0.65884824  0.15672431  0.51765876
   0.91595879  0.08616498  0.89255916
   0.60423490  0.40437699  0.64596937
   0.79104156  0.33107115  0.77590528
   0.66152848  0.67062928  0.00268038
   0.88385078  0.61085887  0.38025260
   0.60773215  0.92199531  0.12429383
   0.84511365  0.84570457  0.26682910
   0.64549121  0.65036222  0.49260388
   0.90872943  0.59353619  0.87813445
   0.64762345  0.91589481  0.65671138
   0.85957273  0.85331841  0.75788710
   0.13090603  0.06383114  0.12116151
   0.35355287  0.17130195  0.29121113
   0.18425977  0.28962408  0.05022773
   0.38245476  0.41929245  0.35507371
   0.52502082  0.34528638  0.19496992
   0.27475973  0.42542540  0.20364816
   0.30510545  0.07743532  0.47374849
   0.05076439  0.11315661  0.41293341
   0.08607633  0.06166406  0.59170680
   0.33620103  0.20762969  0.81114676
   0.16592555  0.29947055  0.52973381
   0.38817082  0.45283643  0.85021596
   0.44892845  0.36014901  0.66940316
   0.19933442  0.39218253  0.71470829
   0.34150333  0.12087895 -0.00955630
   0.04700455  0.16165874  0.93143073
   0.11259930  0.52985141  0.09002438
   0.37265759  0.67618147  0.27905158
   0.14932926  0.79410536  0.07464608
   0.43318607  0.92982082  0.34825996
   0.45773940  0.87195008  0.15476232
   0.23361952  0.88476557  0.24156211
   0.28754188  0.62035361  0.45637519
   0.04959648  0.62634931  0.38423179
   0.09987009  0.55495915  0.57353667
   0.36422072  0.70816916  0.76927846
   0.09433524  0.81533872  0.50682142
   0.37657120  0.94520311  0.83554623
   0.47728018  0.87940006  0.66197275
   0.20081447  0.84004460  0.68264072
   0.30742155  0.63739139 -0.03889235
   0.04886257  0.64717814  0.92385702
   0.60079300  0.08964283  0.11174179
   0.84562726  0.18792138  0.30278629
   0.66392361  0.31271927  0.02563732
   0.83253455  0.46031465  0.34990464
   0.02115549  0.32539268  0.19429163
   0.76970432  0.38398211  0.18922286
   0.80973265  0.12701979  0.48178358
   0.54464854  0.14043907  0.42693304
   0.62630483  0.05970496  0.60773044
   0.83258340  0.18542669  0.82057381
   0.67781934  0.30886397  0.56404756
   0.91116919  0.43580868  0.82921744
   0.93839851  0.34811251  0.64398212
   0.68555468  0.46180903  0.74314983
   0.80840113  0.07566648  0.98578130
   0.57121652  0.12257396  0.90714618
   0.60266840  0.56267851  0.09455101
   0.81224005  0.70068603  0.29656239
   0.65105458  0.82213724  0.02819480
   0.88781514  0.92713345  0.36312425
   0.96820313  0.82640826  0.18843851
   0.70381110  0.90686608  0.22746027
   0.81430121  0.65612195  0.48648863
   0.55283980  0.60106821  0.40055589
   0.58889252  0.54459995  0.57673063
   0.86233644  0.69837113  0.78672110
   0.61122584  0.81455094  0.48332875
   0.92902738  0.93376158  0.85811169
   0.94379867  0.86249868  0.65470488
   0.70509289  0.91700565  0.76790252
   0.80971065  0.64424161  0.96413994
   0.56337475  0.64947495  0.90751667
   0.74355694  0.79938364  0.61982471
   0.64330266  0.87698805  0.52384356
   0.82292990  0.14648229  0.12681793
   0.75271889  0.46366799  0.30969896
   0.32715016  0.05683631  0.67782048
   0.28308346  0.66848984  0.73230775
   0.07812824  1.06261220  0.25349345
   0.15421998  0.96541256 -0.02736238
   0.66302579  0.25531311  0.73989478
   0.86984501  0.28641711  0.61243873
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845318   -0.109471   -0.071981
    -0.000000    9.931862   -0.020598
    -0.000000   -0.000000   13.742604
   Si   O    H 
    32    64    10
Direct configuration=    74
   0.17317849  0.12243477  0.01233048
   0.40478077  0.07636250  0.38309676
   0.14312823  0.39140429  0.13454118
   0.38804897  0.32426788  0.25750364
   0.15643208  0.13890053  0.50268711
   0.41023433  0.09926775  0.88859303
   0.09608244  0.39389639  0.61294704
   0.34632269  0.35630467  0.75992858
   0.15632913  0.65409241  0.01012434
   0.39582557  0.58280330  0.37344974
   0.10872198  0.90545366  0.16902938
   0.37757973  0.83898461  0.25625495
   0.14164142  0.66866550  0.48577478
   0.40951187  0.61305330  0.86303719
   0.08144829  0.89782541  0.60591328
   0.34077351  0.91296785  0.71990862
   0.66150110  0.15180244  1.00632404
   0.89621382  0.08648547  0.38109290
   0.63682531  0.40826400  0.12273891
   0.87911533  0.24436460  0.19511483
   0.65965060  0.15636654  0.51790371
   0.91554781  0.08711704  0.89422206
   0.60325804  0.40334029  0.64624492
   0.79079319  0.33096174  0.77592967
   0.66158150  0.66929672  0.00324190
   0.88397519  0.60925013  0.38092312
   0.60835249  0.92189978  0.12403632
   0.84386047  0.84608344  0.26726773
   0.64528306  0.65130094  0.49291279
   0.90861161  0.59329593  0.87793715
   0.64585138  0.91556569  0.65662820
   0.85806495  0.85342540  0.75787640
   0.13044959  0.06226142  0.12148740
   0.35424788  0.17240080  0.29107910
   0.18350626  0.28795028  0.05024668
   0.38337235  0.42177534  0.35493980
   0.52375700  0.34456550  0.19348606
   0.27607285  0.42395507  0.20319003
   0.30389597  0.07676107  0.47219284
   0.05007332  0.11363439  0.41273851
   0.08434280  0.06165547  0.59146673
   0.33660151  0.20705970  0.81187340
   0.16559322  0.29894085  0.52857389
   0.38906465  0.45241296  0.85154129
   0.44973037  0.36237430  0.66956776
   0.19903248  0.39250517  0.71488998
   0.34158439  0.12101319 -0.00987265
   0.04659397  0.16002598  0.93351580
   0.11369971  0.52893854  0.09077237
   0.37445304  0.67703821  0.27839598
   0.14896174  0.79422186  0.07445728
   0.43575373  0.92768485  0.34785373
   0.45826564  0.87039244  0.15491050
   0.23013044  0.88446888  0.24145476
   0.28550636  0.62036937  0.45641624
   0.04995620  0.62756116  0.38356504
   0.09859614  0.55420862  0.57324248
   0.36288698  0.70660901  0.76949538
   0.09320218  0.81481479  0.50664567
   0.37872885  0.94454996  0.83593750
   0.47798601  0.87902926  0.66292138
   0.19937266  0.83978913  0.68241244
   0.30825360  0.63672934 -0.03840430
   0.04896124  0.64502026  0.92333488
   0.60229027  0.08884807  0.11094070
   0.84671072  0.18738173  0.30198494
   0.66451115  0.31348333  0.02482260
   0.83434249  0.46065520  0.35016101
   0.02242059  0.32507540  0.19431067
   0.77065648  0.38457627  0.18976575
   0.81119744  0.12643575  0.48199899
   0.54588172  0.14091339  0.42771850
   0.62676943  0.05769990  0.60741150
   0.83261171  0.18370067  0.81997084
   0.67828444  0.30672924  0.56497809
   0.91195556  0.43567019  0.82897583
   0.93791359  0.34881582  0.64432485
   0.68680336  0.46124282  0.74231718
   0.80935997  0.07512931  0.98618352
   0.57300782  0.12311291  0.90702930
   0.60431107  0.56261220  0.09514495
   0.81367715  0.70171690  0.29669543
   0.65183297  0.82321862  0.02810414
   0.88755718  0.92725897  0.36348830
   0.96870349  0.82723684  0.18913932
   0.70294372  0.90906600  0.22724812
   0.81407804  0.65806108  0.48657991
   0.55359635  0.60126869  0.40043505
   0.58825997  0.54355246  0.57562538
   0.86406356  0.69959741  0.78693711
   0.61107601  0.81479486  0.48434290
   0.93045017  0.93180574  0.85864874
   0.94169464  0.86381536  0.65550079
   0.70526168  0.91801469  0.76876917
   0.81095030  0.64499067  0.96391739
   0.56249742  0.64998291  0.90789902
   0.73993653  0.79868704  0.62250735
   0.65181878  0.89617413  0.52187489
   0.82934785  0.15070030  0.12787451
   0.75461828  0.46087301  0.31399410
   0.32926711  0.06026270  0.68704446
   0.28318363  0.67281162  0.72846785
   0.07999815  1.06017748  0.25014652
   0.15438513  0.96525811 -0.02607170
   0.67085278  0.25468275  0.74042520
   0.87928162  0.29373599  0.60600143
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848782   -0.114622   -0.071550
    -0.000000    9.932379   -0.022685
    -0.000000   -0.000000   13.742839
   Si   O    H 
    32    64    10
Direct configuration=    75
   0.17377177  0.12372256  0.01266867
   0.40525521  0.07705308  0.38342393
   0.14451070  0.39082109  0.13512514
   0.38786945  0.32394881  0.25744915
   0.15672589  0.13758663  0.50260403
   0.41191331  0.10039029  0.88755192
   0.09672267  0.39424008  0.61348276
   0.34513281  0.35748633  0.76016426
   0.15751201  0.65561738  0.01032543
   0.39536511  0.58117634  0.37398910
   0.10996379  0.90490992  0.16833051
   0.37958324  0.83866356  0.25621775
   0.14184880  0.66768116  0.48503392
   0.40777070  0.61381499  0.86311833
   0.08093540  0.89742803  0.60544329
   0.34054569  0.91205736  0.71941914
   0.66208870  0.15192046  1.00649656
   0.89652572  0.08671686  0.38235735
   0.63707170  0.40772168  0.12197784
   0.88013245  0.24486551  0.19532378
   0.66042181  0.15558410  0.51822476
   0.91507815  0.08806732  0.89590396
   0.60222078  0.40291707  0.64597985
   0.79062319  0.33125946  0.77628461
   0.66165331  0.66799895  0.00401019
   0.88475637  0.60811599  0.38151648
   0.60896479  0.92126988  0.12414056
   0.84312500  0.84641660  0.26750461
   0.64499819  0.65176570  0.49352223
   0.90821409  0.59302929  0.87792093
   0.64370785  0.91526735  0.65646770
   0.85681243  0.85273735  0.75788608
   0.13015318  0.05989442  0.12124430
   0.35546544  0.17329460  0.29109213
   0.18329054  0.28658334  0.05092065
   0.38445956  0.42460301  0.35514707
   0.52193184  0.34481385  0.19214812
   0.27676850  0.42220592  0.20276047
   0.30297974  0.07672985  0.47135549
   0.05036778  0.11408891  0.41257109
   0.08320637  0.06121434  0.59140751
   0.33693950  0.20638626  0.81241647
   0.16535212  0.29848126  0.52718121
   0.38990284  0.45246626  0.85247766
   0.44997360  0.36493377  0.67016955
   0.19863644  0.39275395  0.71496166
   0.34136868  0.12110175 -0.01000857
   0.04669658  0.15913798  0.93497208
   0.11449187  0.52938711  0.09041637
   0.37626284  0.67782676  0.27773513
   0.14790961  0.79463677  0.07404351
   0.43787930  0.92593414  0.34704971
   0.45913124  0.86884647  0.15516448
   0.22603562  0.88455815  0.24130450
   0.28469172  0.61994362  0.45676593
   0.04991336  0.62875421  0.38386974
   0.09736828  0.55368299  0.57313078
   0.36221248  0.70512869  0.76978242
   0.09210796  0.81427222  0.50699435
   0.38106526  0.94485372  0.83678007
   0.47920652  0.87867726  0.66349751
   0.19687207  0.83945902  0.68189787
   0.30846729  0.63753292 -0.03769671
   0.04855396  0.64241994  0.92287077
   0.60293643  0.08729428  0.11004072
   0.84716089  0.18752305  0.30154681
   0.66526682  0.31435698  0.02395901
   0.83633013  0.46091272  0.35039807
   0.02271764  0.32462948  0.19358407
   0.77175172  0.38460620  0.19055553
   0.81290490  0.12612856  0.48222286
   0.54673807  0.14090175  0.42843807
   0.62676659  0.05587571  0.60750109
   0.83339605  0.18255348  0.81955420
   0.67848538  0.30541868  0.56612535
   0.91253317  0.43542166  0.82961636
   0.93735273  0.34987052  0.64530601
   0.68864262  0.46110571  0.74140079
   0.80970443  0.07449894  0.98660510
   0.57518607  0.12303241  0.90628098
   0.60493254  0.56281012  0.09542535
   0.81528205  0.70197872  0.29705951
   0.65236385  0.82453891  0.02817886
   0.88800430  0.92667296  0.36348158
   0.96947852  0.82856085  0.19002722
   0.70192493  0.91094981  0.22737719
   0.81344323  0.65965217  0.48659167
   0.55486818  0.60109442  0.40083047
   0.58787964  0.54319299  0.57431633
   0.86558639  0.69971274  0.78695783
   0.61071013  0.81586152  0.48445814
   0.93103586  0.92987121  0.85844884
   0.93983090  0.86500140  0.65650067
   0.70551367  0.91889299  0.76962058
   0.81256777  0.64599520  0.96390141
   0.56141914  0.64945440  0.90792525
   0.72737859  0.79806102  0.62484553
   0.66319702  0.90402088  0.51585328
   0.83737753  0.15163425  0.12436552
   0.74641365  0.45608907  0.30964196
   0.32993585  0.06232083  0.69642422
   0.28850415  0.67827647  0.73078840
   0.07993693  1.05936972  0.24674941
   0.15613234  0.96686924 -0.02493880
   0.67646467  0.24927714  0.73792031
   0.88859833  0.29890104  0.59482164
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851994   -0.119205   -0.071238
    -0.000000    9.932870   -0.024815
    -0.000000   -0.000000   13.743378
   Si   O    H 
    32    64    10
Direct configuration=    76
   0.17441514  0.12533003  0.01299319
   0.40610634  0.07732698  0.38378414
   0.14633309  0.38909295  0.13551314
   0.38752928  0.32462298  0.25707573
   0.15721712  0.13644960  0.50186713
   0.41294347  0.10146602  0.88640239
   0.09732845  0.39522382  0.61386375
   0.34382429  0.35842718  0.76002191
   0.15810456  0.65705151  0.01080395
   0.39470616  0.57993337  0.37400102
   0.11048884  0.90447913  0.16759252
   0.38193016  0.83799609  0.25629249
   0.14151090  0.66634600  0.48447184
   0.40634487  0.61489451  0.86364280
   0.08065554  0.89809391  0.60545001
   0.34009973  0.91159790  0.71890351
   0.66336817  0.15176817  1.00639512
   0.89710385  0.08689030  0.38405726
   0.63701255  0.40720343  0.12172819
   0.88066904  0.24553711  0.19561008
   0.66097216  0.15509531  0.51865334
   0.91473788  0.08865881  0.89763945
   0.60215988  0.40285100  0.64560395
   0.79122621  0.33169317  0.77626663
   0.66228927  0.66687546  0.00468442
   0.88503099  0.60694281  0.38183657
   0.61010026  0.92078083  0.12408469
   0.84213847  0.84754314  0.26732805
   0.64447979  0.65236651  0.49417688
   0.90799166  0.59336169  0.87788076
   0.64153610  0.91432134  0.65660859
   0.85605995  0.85247324  0.75815876
   0.12987861  0.05733553  0.12054857
   0.35725823  0.17388006  0.29083145
   0.18337813  0.28564968  0.05104503
   0.38572377  0.42739461  0.35503384
   0.52009419  0.34510386  0.19088379
   0.27714332  0.42031545  0.20194897
   0.30168487  0.07641790  0.47024722
   0.05184762  0.11496193  0.41253411
   0.08193965  0.06116656  0.59087883
   0.33737346  0.20576299  0.81211148
   0.16485613  0.29755985  0.52608481
   0.39043701  0.45300095  0.85293740
   0.45018365  0.36684476  0.67033018
   0.19869126  0.39381595  0.71482569
   0.33990213  0.12099188 -0.00991407
   0.04781337  0.15836110  0.93557331
   0.11544301  0.53042467  0.08995431
   0.37713572  0.67793601  0.27685202
   0.14612415  0.79466173  0.07345610
   0.44000850  0.92476580  0.34659472
   0.45942314  0.86756689  0.15582281
   0.22252527  0.88471740  0.24114082
   0.28537641  0.61914955  0.45736737
   0.04940203  0.62946329  0.38416559
   0.09627757  0.55332429  0.57373233
   0.36173414  0.70442175  0.77013706
   0.09183488  0.81309674  0.50679337
   0.38308860  0.94495323  0.83749124
   0.48063724  0.87803606  0.66379911
   0.19501296  0.83946049  0.68162451
   0.30795287  0.63846225 -0.03686459
   0.04858089  0.64034543  0.92250895
   0.60267046  0.08582880  0.10805594
   0.84710611  0.18781100  0.30049483
   0.66522584  0.31656928  0.02286673
   0.83827561  0.46146878  0.35079660
   0.02366958  0.32375531  0.19278584
   0.77356435  0.38436739  0.19111489
   0.81455878  0.12676221  0.48216673
   0.54701387  0.14198042  0.42913363
   0.62656269  0.05463138  0.60778779
   0.83414584  0.18155927  0.81963730
   0.67913158  0.30425389  0.56711728
   0.91281853  0.43535783  0.83032445
   0.93616218  0.35093800  0.64636734
   0.69060700  0.46083662  0.74045481
   0.80963009  0.07443237  0.98720925
   0.57622476  0.12426376  0.90554434
   0.60545034  0.56315762  0.09524028
   0.81652351  0.70150583  0.29744822
   0.65325292  0.82700581  0.02924149
   0.88782690  0.92609179  0.36372896
   0.97002177  0.82974236  0.19089245
   0.69973770  0.91226338  0.22748653
   0.81377530  0.66095864  0.48645997
   0.55618090  0.60071605  0.40064964
   0.58834036  0.54244154  0.57324221
   0.86767628  0.69886698  0.78710860
   0.61115208  0.81773673  0.48485288
   0.93114975  0.92790007  0.85794516
   0.93785934  0.86570636  0.65773642
   0.70607150  0.92026426  0.77041414
   0.81385158  0.64641005  0.96360447
   0.56004081  0.64858077  0.90781788
   0.71375822  0.79649471  0.62647479
   0.66872947  0.89799361  0.50306276
   0.84504156  0.14604761  0.11857647
   0.75154369  0.45218750  0.30671671
   0.32879846  0.05758860  0.70449233
   0.28526524  0.67956243  0.72874611
   0.07905887  1.06009961  0.24244041
   0.15723881  0.97163626 -0.02153857
   0.67887036  0.23944899  0.73510811
   0.89668452  0.30606894  0.58402624
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855467   -0.123828   -0.070334
    -0.000000    9.933854   -0.027326
    -0.000000   -0.000000   13.743572
   Si   O    H 
    32    64    10
Direct configuration=    77
   0.17523577  0.12680833  0.01283354
   0.40709504  0.07795876  0.38401356
   0.14810870  0.38782895  0.13567551
   0.38730272  0.32544080  0.25704590
   0.15756817  0.13562136  0.50148066
   0.41400475  0.10282680  0.88499873
   0.09802311  0.39623690  0.61402757
   0.34291170  0.35888994  0.75997170
   0.15815344  0.65796781  0.01173981
   0.39399108  0.57829535  0.37379052
   0.11061086  0.90343611  0.16647528
   0.38386288  0.83738266  0.25621417
   0.14069346  0.66405149  0.48436458
   0.40464116  0.61534379  0.86409437
   0.08103821  0.89854143  0.60548374
   0.33953908  0.91060778  0.71893724
   0.66415763  0.15167615  1.00646820
   0.89747724  0.08710430  0.38564945
   0.63719351  0.40639717  0.12170709
   0.88082372  0.24594605  0.19573852
   0.66173960  0.15465567  0.51858932
   0.91423713  0.08885321  0.89898294
   0.60235780  0.40323453  0.64527891
   0.79230061  0.33241656  0.77627963
   0.66140795  0.66567971  0.00514727
   0.88564610  0.60695066  0.38172264
   0.61157558  0.92006461  0.12442049
   0.84189243  0.84839322  0.26664978
   0.64372166  0.65261902  0.49494707
   0.90751714  0.59376721  0.87774398
   0.63970353  0.91313247  0.65702886
   0.85571515  0.85282151  0.75906674
   0.13032676  0.05482478  0.11966434
   0.35866818  0.17416403  0.29122128
   0.18373572  0.28388212  0.05101319
   0.38626285  0.42939552  0.35505946
   0.51914566  0.34594008  0.18955723
   0.27771465  0.41787045  0.20078433
   0.30015713  0.07577540  0.46931973
   0.05398997  0.11535662  0.41290134
   0.08106008  0.06151385  0.59050684
   0.33724578  0.20496937  0.81134815
   0.16419879  0.29733105  0.52504806
   0.39065740  0.45351242  0.85314941
   0.45006840  0.36827151  0.67056265
   0.19879292  0.39499661  0.71425112
   0.33801132  0.12179410 -0.00970284
   0.04846651  0.15766012  0.93610133
   0.11634792  0.53199331  0.08916311
   0.37825942  0.67757580  0.27618127
   0.14426272  0.79453169  0.07295853
   0.44157646  0.92489821  0.34662197
   0.45938315  0.86616437  0.15671667
   0.22069880  0.88452198  0.24151203
   0.28679308  0.61925712  0.45811142
   0.04881854  0.63002439  0.38481566
   0.09614987  0.55287044  0.57412107
   0.36117628  0.70350458  0.77094809
   0.09065157  0.81191321  0.50646706
   0.38520056  0.94532107  0.83796640
   0.48139413  0.87752238  0.66414402
   0.19417667  0.83866010  0.68145334
   0.30753426  0.63936509 -0.03712152
   0.04985963  0.63938274  0.92229207
   0.60290323  0.08468347  0.10675312
   0.84706712  0.18774626  0.29994923
   0.66555995  0.31931676  0.02176177
   0.83962951  0.46182447  0.35161850
   0.02514688  0.32251016  0.19321396
   0.77510234  0.38466365  0.19148819
   0.81543537  0.12704661  0.48207166
   0.54729450  0.14337822  0.42934098
   0.62638808  0.05415732  0.60837398
   0.83500599  0.18055830  0.81970219
   0.68007075  0.30358491  0.56792956
   0.91235970  0.43528101  0.83124181
   0.93485816  0.35087179  0.64663032
   0.69189435  0.46069685  0.73929172
   0.80881424  0.07444271  0.98792744
   0.57677486  0.12549351  0.90487513
   0.60639786  0.56320755  0.09450211
   0.81792986  0.70049990  0.29719937
   0.65322433  0.83040058  0.03025016
   0.88810106  0.92566139  0.36432795
   0.96924027  0.83082775  0.19191089
   0.69814078  0.91349039  0.22755896
   0.81349931  0.66182148  0.48658484
   0.55764654  0.60011329  0.40053452
   0.58860360  0.54208891  0.57242457
   0.86991527  0.69774238  0.78768881
   0.61063140  0.81995066  0.48453213
   0.93124064  0.92587202  0.85725432
   0.93543602  0.86690001  0.65893703
   0.70660994  0.92247298  0.77087834
   0.81520067  0.64680120  0.96362775
   0.55909013  0.64707430  0.90796747
   0.70410336  0.79394758  0.62565051
   0.67691985  0.88677572  0.48881445
   0.85401028  0.14214920  0.11456781
   0.76755372  0.45137843  0.30656043
   0.32424961  0.05371084  0.71212860
   0.28075805  0.67982383  0.72591283
   0.07507796  1.05908209  0.23922314
   0.16451514  0.97570591 -0.01600040
   0.68103303  0.23078473  0.73382059
   0.90565911  0.31417882  0.57987074
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859135   -0.128791   -0.069165
    -0.000000    9.935007   -0.029622
    -0.000000   -0.000000   13.743789
   Si   O    H 
    32    64    10
Direct configuration=    78
   0.17574969  0.12817540  0.01248287
   0.40838041  0.07860180  0.38416871
   0.14955369  0.38640711  0.13545257
   0.38711599  0.32716957  0.25653561
   0.15848988  0.13524337  0.50136021
   0.41494626  0.10359550  0.88418391
   0.09855705  0.39710639  0.61413415
   0.34172823  0.35907414  0.75987318
   0.15799722  0.65868580  0.01251342
   0.39412162  0.57767963  0.37321464
   0.11065188  0.90245845  0.16556643
   0.38489203  0.83679581  0.25610354
   0.13986884  0.66103202  0.48419975
   0.40266333  0.61580246  0.86517181
   0.08151081  0.89863913  0.60548566
   0.33902913  0.90918872  0.71900397
   0.66465703  0.15196776  1.00623962
   0.89799868  0.08698274  0.38682476
   0.63788418  0.40595041  0.12180748
   0.88045159  0.24657907  0.19535164
   0.66274085  0.15411109  0.51812570
   0.91364845  0.08828642  0.89985737
   0.60299662  0.40407416  0.64463620
   0.79398911  0.33285515  0.77631176
   0.66060786  0.66467936  0.00535747
   0.88640269  0.60750005  0.38187268
   0.61226760  0.91898956  0.12460344
   0.84190711  0.84921463  0.26606000
   0.64299978  0.65255604  0.49545524
   0.90701081  0.59394984  0.87699934
   0.63795800  0.91105911  0.65757467
   0.85537263  0.85384664  0.76018288
   0.13106163  0.05295301  0.11846948
   0.35977558  0.17407462  0.29195139
   0.18428600  0.28211686  0.05082715
   0.38748540  0.42982840  0.35555875
   0.51843555  0.34749327  0.18798504
   0.27799989  0.41454382  0.19964154
   0.29799657  0.07581528  0.46840658
   0.05666734  0.11621811  0.41306270
   0.08055581  0.06297897  0.59055863
   0.33685397  0.20451534  0.81056359
   0.16294487  0.29702506  0.52393350
   0.39066130  0.45343012  0.85304443
   0.44983820  0.36975004  0.67048701
   0.19947261  0.39571982  0.71368344
   0.33656835  0.12329176 -0.00999070
   0.04910341  0.15690072  0.93665417
   0.11687932  0.53338290  0.08846335
   0.37801549  0.67701291  0.27541276
   0.14191914  0.79431781  0.07249290
   0.44380847  0.92568076  0.34690190
   0.45932406  0.86395692  0.15772215
   0.22098089  0.88428342  0.24220516
   0.28815621  0.61958386  0.45866862
   0.04883843  0.63036314  0.38539370
   0.09538391  0.55273463  0.57474459
   0.36017425  0.70197505  0.77129744
   0.08961524  0.81140432  0.50629152
   0.38715051  0.94576659  0.83853581
   0.48147263  0.87633444  0.66470826
   0.19319431  0.83729165  0.68163742
   0.30759951  0.64056201 -0.03768152
   0.05052186  0.63858145  0.92233565
   0.60315357  0.08325035  0.10567715
   0.84712827  0.18719976  0.29965783
   0.66573532  0.32175141  0.02056366
   0.84110695  0.46220088  0.35272517
   0.02656473  0.32085705  0.19413080
   0.77712542  0.38483803  0.19164717
   0.81637643  0.12786209  0.48176385
   0.54867858  0.14405575  0.42968826
   0.62654106  0.05425953  0.60847565
   0.83616313  0.17947199  0.81955823
   0.68154763  0.30289698  0.56908579
   0.91204816  0.43606942  0.83214403
   0.93434462  0.35039222  0.64656308
   0.69340840  0.46084659  0.73851326
   0.80867257  0.07377095  0.98868837
   0.57650300  0.12724943  0.90456366
   0.60787543  0.56337155  0.09344704
   0.81843512  0.69838756  0.29670469
   0.65329158  0.83332222  0.03067161
   0.88825756  0.92511446  0.36450071
   0.96801893  0.83204052  0.19338225
   0.69772635  0.91524212  0.22736492
   0.81282003  0.66199879  0.48655884
   0.55900393  0.60016493  0.40057084
   0.58858730  0.54111201  0.57189292
   0.87116857  0.69523537  0.78819495
   0.60951199  0.82106067  0.48437562
   0.93076309  0.92480236  0.85677849
   0.93271672  0.86905101  0.66000046
   0.70743275  0.92415468  0.77066223
   0.81482829  0.64732009  0.96408981
   0.55857431  0.64652343  0.90806834
   0.69860799  0.78809137  0.62102610
   0.69328135  0.88260864  0.47602831
   0.86396883  0.14133909  0.11302555
   0.77525396  0.44807823  0.30160474
   0.31657734  0.05184768  0.71660646
   0.27694802  0.67777587  0.72779070
   0.06958746  1.05978727  0.23752422
   0.17201715  0.97662293 -0.01284044
   0.68179210  0.22171285  0.73393162
   0.90490052  0.32105645  0.58184531
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862952   -0.132904   -0.068306
    -0.000000    9.936571   -0.031525
    -0.000000   -0.000000   13.744250
   Si   O    H 
    32    64    10
Direct configuration=    79
   0.17613866  0.12957300  0.01247875
   0.40944177  0.07916849  0.38413001
   0.15088494  0.38599631  0.13524503
   0.38755297  0.32924835  0.25588434
   0.15900898  0.13561661  0.50098282
   0.41542437  0.10427592  0.88400373
   0.09873716  0.39802173  0.61422854
   0.34049396  0.35952651  0.75988378
   0.15848566  0.65966986  0.01301113
   0.39485055  0.57774296  0.37277023
   0.11091992  0.90167651  0.16433199
   0.38511568  0.83623487  0.25647140
   0.13851941  0.65768138  0.48383279
   0.40162680  0.61610434  0.86686626
   0.08156330  0.89861889  0.60549033
   0.33898563  0.90883499  0.71938511
   0.66501501  0.15213193  1.00564378
   0.89853764  0.08675516  0.38775361
   0.63880844  0.40477235  0.12159972
   0.87993084  0.24753528  0.19480669
   0.66322807  0.15334367  0.51770063
   0.91329901  0.08694085  0.90017069
   0.60393418  0.40549197  0.64387432
   0.79534471  0.33305632  0.77634130
   0.66033013  0.66401797  0.00541271
   0.88757142  0.60847697  0.38182119
   0.61240573  0.91805360  0.12480055
   0.84209803  0.85005578  0.26561044
   0.64256065  0.65244101  0.49538344
   0.90654091  0.59401971  0.87606323
   0.63726683  0.90927789  0.65847216
   0.85581153  0.85463419  0.76170456
   0.13223116  0.05115530  0.11755867
   0.36136928  0.17392146  0.29265182
   0.18522488  0.28075082  0.05052344
   0.38809468  0.42838924  0.35538236
   0.51759688  0.34866023  0.18686636
   0.27887175  0.41121262  0.19841992
   0.29645464  0.07590221  0.46766556
   0.05887489  0.11712297  0.41285772
   0.08009152  0.06442676  0.59101742
   0.33629662  0.20514059  0.80944212
   0.16196134  0.29684228  0.52339195
   0.39065626  0.45348011  0.85254625
   0.44903139  0.37100367  0.67027907
   0.19989678  0.39611166  0.71251900
   0.33592046  0.12358124 -0.01022229
   0.05023945  0.15592656  0.93731489
   0.11822746  0.53486121  0.08768230
   0.37824377  0.67612505  0.27494140
   0.14031665  0.79475990  0.07167601
   0.44615141  0.92687338  0.34724377
   0.45966225  0.86257544  0.15873886
   0.22191249  0.88462566  0.24272045
   0.29010337  0.62044445  0.45904971
   0.04902783  0.63073105  0.38545909
   0.09559424  0.55281007  0.57513583
   0.35887044  0.70000465  0.77120811
   0.08896728  0.81078846  0.50670792
   0.38889074  0.94607254  0.83882417
   0.48127350  0.87529840  0.66566380
   0.19262996  0.83624494  0.68186165
   0.30659223  0.64211966 -0.03825006
   0.05165683  0.63832146  0.92219847
   0.60250632  0.08185994  0.10441529
   0.84795600  0.18643267  0.29928141
   0.66534624  0.32446589  0.01956116
   0.84311713  0.46256895  0.35399842
   0.02803047  0.31852985  0.19518375
   0.77896457  0.38489143  0.19156700
   0.81637416  0.12924846  0.48180165
   0.54991129  0.14463529  0.43010146
   0.62660045  0.05462831  0.60828159
   0.83697052  0.17970970  0.81935306
   0.68321645  0.30203621  0.56954155
   0.91174347  0.43590430  0.83288716
   0.93428181  0.34954727  0.64630077
   0.69382029  0.46101179  0.73779090
   0.80754858  0.07299492  0.98973176
   0.57614027  0.12920086  0.90433783
   0.60922673  0.56383459  0.09277270
   0.81874255  0.69495568  0.29657527
   0.65430198  0.83599018  0.03076477
   0.88844927  0.92445403  0.36465355
   0.96651753  0.83282292  0.19469928
   0.69811332  0.91674030  0.22757724
   0.81235595  0.66094134  0.48654656
   0.56026346  0.60022924  0.40048165
   0.58852168  0.53977121  0.57183527
   0.87281323  0.69272398  0.78901933
   0.60871078  0.82244876  0.48400517
   0.93048241  0.92469162  0.85630459
   0.93049080  0.87130491  0.66052318
   0.70830952  0.92556421  0.77032069
   0.81437130  0.64828149  0.96530481
   0.55886698  0.64601320  0.90844996
   0.69263585  0.78274313  0.61556922
   0.70137208  0.87619044  0.46624807
   0.87289188  0.14150880  0.11620112
   0.78067637  0.44368397  0.29654925
   0.30577965  0.05080127  0.71841507
   0.27341963  0.67478418  0.73402335
   0.06565635  1.06351935  0.23881237
   0.18170982  0.97496070 -0.01033873
   0.68262944  0.21493995  0.73488322
   0.89600674  0.31933568  0.58237008
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866811   -0.137241   -0.067254
    -0.000000    9.937698   -0.034030
    -0.000000   -0.000000   13.744653
   Si   O    H 
    32    64    10
Direct configuration=    80
   0.17743123  0.13079877  0.01261257
   0.41075489  0.08001327  0.38416045
   0.15138162  0.38633512  0.13519664
   0.38786293  0.33157252  0.25511801
   0.15941387  0.13595240  0.50075724
   0.41565303  0.10506058  0.88388683
   0.09879497  0.39847087  0.61450618
   0.33979639  0.36013738  0.75974159
   0.15869285  0.65998776  0.01314714
   0.39608476  0.57849568  0.37265307
   0.11051039  0.90074089  0.16293646
   0.38476498  0.83548285  0.25738474
   0.13735955  0.65436169  0.48327223
   0.40039816  0.61588077  0.86891713
   0.08094838  0.89920579  0.60596661
   0.33946392  0.90908211  0.72028779
   0.66485137  0.15282170  1.00497214
   0.89926251  0.08652081  0.38884563
   0.63935996  0.40394258  0.12144120
   0.87911546  0.24840211  0.19393457
   0.66344528  0.15225125  0.51720842
   0.91328185  0.08573832  0.90038450
   0.60492079  0.40750047  0.64281617
   0.79718336  0.33281559  0.77587173
   0.65992275  0.66364026  0.00505618
   0.88741092  0.61020982  0.38238686
   0.61175205  0.91725787  0.12540572
   0.84224536  0.85033082  0.26543050
   0.64189749  0.65278177  0.49520657
   0.90661154  0.59449541  0.87491838
   0.63633954  0.90715460  0.65963429
   0.85654250  0.85520795  0.76324652
   0.13411519  0.04902222  0.11660125
   0.36234707  0.17455995  0.29256664
   0.18526524  0.27997775  0.05053565
   0.38873695  0.42571181  0.35520940
   0.51733723  0.35036884  0.18541038
   0.27893310  0.40840780  0.19734648
   0.29582918  0.07607880  0.46727691
   0.06062336  0.11758948  0.41147153
   0.07972306  0.06531347  0.59178042
   0.33597775  0.20623206  0.80773215
   0.16022330  0.29696460  0.52346519
   0.39067854  0.45307233  0.85189882
   0.44820321  0.37152616  0.67057920
   0.19998636  0.39655641  0.71129078
   0.33621579  0.12342996 -0.01095548
   0.05189968  0.15509988  0.93739495
   0.11958068  0.53636400  0.08680169
   0.37894143  0.67450082  0.27439562
   0.13927151  0.79588905  0.07088875
   0.44810379  0.92768299  0.34707379
   0.46127561  0.86207857  0.15927323
   0.22412573  0.88400184  0.24361665
   0.29207699  0.62107154  0.45902766
   0.04879593  0.63015741  0.38553036
   0.09672379  0.55254613  0.57574244
   0.35755329  0.69776780  0.77116742
   0.08824779  0.81019113  0.50724779
   0.38980862  0.94666841  0.83946051
   0.48058732  0.87404459  0.66684756
   0.19320826  0.83494596  0.68137841
   0.30485879  0.64316739 -0.03885761
   0.05269633  0.63908485  0.92213090
   0.60209164  0.08049711  0.10236307
   0.84869735  0.18577063  0.29934089
   0.66510614  0.32626819  0.01845799
   0.84435021  0.46276333  0.35522368
   0.02885194  0.31695259  0.19622813
   0.77904872  0.38459745  0.19119254
   0.81587236  0.13115003  0.48160500
   0.55090286  0.14509481  0.43089401
   0.62707747  0.05596691  0.60793145
   0.83751509  0.18040176  0.81909292
   0.68460635  0.30143513  0.56955673
   0.91138993  0.43625295  0.83347568
   0.93509379  0.34796334  0.64599233
   0.69415385  0.46131162  0.73775672
   0.80689157  0.07266525  0.99145232
   0.57587043  0.13182249  0.90466204
   0.61087883  0.56474511  0.09201934
   0.81908793  0.69184562  0.29593272
   0.65668790  0.83788847  0.03103082
   0.88880211  0.92507404  0.36469690
   0.96521924  0.83360963  0.19568639
   0.69855427  0.91799658  0.22811895
   0.81209333  0.66010902  0.48635424
   0.56164645  0.60017261  0.39975461
   0.58831987  0.53840013  0.57216312
   0.87394951  0.69023528  0.78968235
   0.60925607  0.82456073  0.48263545
   0.92992187  0.92470254  0.85569887
   0.92850545  0.87367602  0.66074546
   0.70840028  0.92715294  0.76918062
   0.81322800  0.64961751  0.96675065
   0.55850800  0.64517837  0.90854387
   0.68892329  0.78214021  0.61151986
   0.69329915  0.86152787  0.45683855
   0.87767497  0.15072637  0.12294462
   0.78985127  0.44058181  0.29370031
   0.29138581  0.05219272  0.71718819
   0.27468274  0.67063959  0.74064596
   0.06185142  1.06829472  0.24218277
   0.19127913  0.97486297 -0.01118037
   0.68073671  0.21329798  0.73558421
   0.88718294  0.31858636  0.58624709
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870501   -0.141097   -0.066244
    -0.000000    9.938770   -0.035131
    -0.000000   -0.000000   13.745281
   Si   O    H 
    32    64    10
Direct configuration=    81
   0.17898900  0.13204930  0.01261443
   0.41148588  0.08040201  0.38353949
   0.15192901  0.38691093  0.13475390
   0.38809768  0.33326841  0.25420812
   0.15967322  0.13636146  0.50072277
   0.41579981  0.10495577  0.88396327
   0.09850674  0.39849772  0.61490336
   0.33954580  0.36050735  0.75974113
   0.15793106  0.65950464  0.01287887
   0.39725442  0.57944538  0.37262505
   0.10999716  0.89962898  0.16100692
   0.38381778  0.83513052  0.25857928
   0.13602783  0.65135243  0.48286208
   0.40028028  0.61504970  0.87086974
   0.07977878  0.89986499  0.60638555
   0.34002053  0.90935098  0.72113081
   0.66441146  0.15352920  1.00434280
   0.90032302  0.08567138  0.38968717
   0.64048264  0.40324396  0.12143367
   0.87850766  0.24989049  0.19347087
   0.66372434  0.15100215  0.51693830
   0.91278024  0.08440848  0.90041888
   0.60567375  0.40981383  0.64187015
   0.79864378  0.33265757  0.77509816
   0.65905998  0.66352072  0.00478474
   0.88676782  0.61188489  0.38327157
   0.61066577  0.91696541  0.12602584
   0.84231959  0.85041767  0.26516538
   0.64140543  0.65376310  0.49543968
   0.90652364  0.59499590  0.87366444
   0.63504883  0.90494440  0.66079319
   0.85754538  0.85587547  0.76518082
   0.13444801  0.04662327  0.11516059
   0.36338223  0.17594118  0.29183076
   0.18512115  0.27993704  0.05097444
   0.38899055  0.42261636  0.35578341
   0.51725814  0.35196968  0.18411452
   0.27917468  0.40550794  0.19659694
   0.29578202  0.07628870  0.46679183
   0.06131341  0.11818210  0.41033399
   0.07930609  0.06542071  0.59256275
   0.33679031  0.20584309  0.80617683
   0.15868690  0.29764049  0.52427850
   0.39027581  0.45226506  0.85102632
   0.44725069  0.37101505  0.67096981
   0.19995038  0.39643251  0.70988438
   0.33633460  0.12323814 -0.01191941
   0.05265991  0.15489266  0.93750555
   0.12110994  0.53787808  0.08616924
   0.37987268  0.67234498  0.27435698
   0.13856159  0.79706090  0.07105694
   0.44926116  0.92785811  0.34705614
   0.46322709  0.86122419  0.15964177
   0.22616585  0.88320168  0.24467016
   0.29388340  0.62131440  0.45886543
   0.04904523  0.62844441  0.38531081
   0.09841436  0.55283584  0.57609601
   0.35663820  0.69564716  0.77092240
   0.08774961  0.80905385  0.50782247
   0.39028048  0.94862183  0.84006896
   0.47896483  0.87296416  0.66787616
   0.19484335  0.83379364  0.68104419
   0.30370115  0.64443753 -0.03966137
   0.05441951  0.64063242  0.92184749
   0.60198402  0.08025237  0.10049631
   0.84966547  0.18513010  0.29935362
   0.66551567  0.32718197  0.01742309
   0.84509192  0.46305591  0.35619134
   0.02957719  0.31569510  0.19681073
   0.77909327  0.38397784  0.19126197
   0.81517865  0.13298436  0.48120832
   0.55244228  0.14501442  0.43188692
   0.62718335  0.05722381  0.60772868
   0.83808869  0.18165030  0.81996767
   0.68495204  0.30074358  0.56974430
   0.91092189  0.43683176  0.83338946
   0.93601990  0.34724558  0.64593320
   0.69482098  0.46150539  0.73749369
   0.80583917  0.07285266  0.99260900
   0.57551810  0.13373321  0.90539223
   0.61297822  0.56567773  0.09171459
   0.81936734  0.68966001  0.29488072
   0.65909177  0.83927507  0.03190067
   0.88932601  0.92525467  0.36494409
   0.96475175  0.83461780  0.19656758
   0.70033033  0.91901790  0.22850799
   0.81235756  0.65939399  0.48580379
   0.56238369  0.60085368  0.39851335
   0.58797384  0.53736781  0.57228507
   0.87433319  0.68862401  0.78970251
   0.60938736  0.82660762  0.48157569
   0.92989025  0.92502283  0.85609091
   0.92659063  0.87503284  0.66084022
   0.70806479  0.92833555  0.76831377
   0.81237739  0.65074289  0.96822299
   0.55847125  0.64522864  0.90885196
   0.68397459  0.78280127  0.60906208
   0.68371480  0.85076894  0.44929252
   0.87868617  0.15570281  0.12440265
   0.80162961  0.44308490  0.29328767
   0.27969776  0.05241609  0.71584983
   0.27279448  0.66589739  0.74562555
   0.06082486  1.07417445  0.24492348
   0.19515725  0.97092706 -0.01164966
   0.67968101  0.22177929  0.73855691
   0.88132221  0.31757416  0.59165473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874079   -0.144910   -0.065276
    -0.000000    9.939726   -0.036342
    -0.000000   -0.000000   13.745628
   Si   O    H 
    32    64    10
Direct configuration=    82
   0.17969240  0.13305186  0.01271004
   0.41259381  0.08072520  0.38283930
   0.15224135  0.38761425  0.13377824
   0.38801975  0.33417744  0.25363022
   0.16012875  0.13669942  0.50033289
   0.41585744  0.10468468  0.88385199
   0.09856041  0.39784077  0.61539706
   0.33968338  0.36081254  0.75973130
   0.15723511  0.65935662  0.01218464
   0.39836665  0.58044437  0.37297983
   0.10902662  0.89873924  0.15931853
   0.38270466  0.83492773  0.26010404
   0.13488536  0.64909099  0.48251886
   0.40039102  0.61480990  0.87278482
   0.07864712  0.90059662  0.60739691
   0.34051837  0.90979312  0.72233060
   0.66404519  0.15432613  1.00345965
   0.90181465  0.08498121  0.39046977
   0.64148475  0.40294334  0.12140743
   0.87828297  0.25125325  0.19359544
   0.66377218  0.15023143  0.51676129
   0.91258059  0.08295593  0.90045753
   0.60652916  0.41196613  0.64101583
   0.79998468  0.33198531  0.77423008
   0.65832747  0.66404529  0.00437975
   0.88617248  0.61335692  0.38399929
   0.60905954  0.91676113  0.12665533
   0.84212690  0.85040003  0.26495710
   0.64131041  0.65482832  0.49553356
   0.90657553  0.59593400  0.87287236
   0.63412631  0.90397099  0.66187807
   0.85800421  0.85608493  0.76706281
   0.13449573  0.04542597  0.11475247
   0.36416049  0.17703089  0.29061793
   0.18416798  0.28042698  0.05164435
   0.38934885  0.42001949  0.35629193
   0.51650882  0.35413678  0.18294291
   0.27895299  0.40316036  0.19577549
   0.29619690  0.07675180  0.46658674
   0.06150609  0.11887483  0.40849958
   0.07880857  0.06553867  0.59322869
   0.33810728  0.20604905  0.80447164
   0.15725999  0.29839416  0.52509556
   0.38995129  0.45263193  0.85041212
   0.44579975  0.37045877  0.67107265
   0.19808633  0.39645731  0.70903889
   0.33723833  0.12281903 -0.01273641
   0.05289328  0.15480593  0.93756747
   0.12199071  0.53969082  0.08525414
   0.38020018  0.67019944  0.27477368
   0.13792266  0.79817740  0.07143587
   0.45031861  0.92832282  0.34698714
   0.46477776  0.86009012  0.16004378
   0.22794764  0.88251430  0.24557634
   0.29589241  0.62238297  0.45880401
   0.04971770  0.62702759  0.38597752
   0.10023904  0.55256075  0.57702158
   0.35598297  0.69428353  0.77112165
   0.08776078  0.80808751  0.50825150
   0.39057896  0.95108824  0.84051934
   0.47717981  0.87157860  0.66894995
   0.19569396  0.83266755  0.68022736
   0.30280368  0.64523697 -0.03988169
   0.05590026  0.64228114  0.92085230
   0.60246559  0.08003126  0.09874934
   0.85111403  0.18411841  0.30007052
   0.66604918  0.32763103  0.01581629
   0.84549800  0.46273380  0.35737703
   0.03045821  0.31479870  0.19761465
   0.77866289  0.38247207  0.19068642
   0.81500703  0.13415506  0.48116587
   0.55360177  0.14538383  0.43307996
   0.62765637  0.05825211  0.60745178
   0.83955943  0.18288495  0.82098118
   0.68549778  0.30015999  0.57022736
   0.90982091  0.43655205  0.83363182
   0.93658692  0.34696920  0.64610950
   0.69598660  0.46204085  0.73671886
   0.80404156  0.07236594  0.99403683
   0.57480072  0.13549460  0.90599028
   0.61493674  0.56669105  0.09158744
   0.81897137  0.68827870  0.29394408
   0.66096156  0.83908163  0.03256477
   0.88911608  0.92630566  0.36558177
   0.96479335  0.83531696  0.19716502
   0.70178592  0.91959464  0.22856045
   0.81132258  0.65832062  0.48446834
   0.56298752  0.60157991  0.39707073
   0.58711145  0.53660101  0.57214687
   0.87485301  0.68808402  0.78885857
   0.60778094  0.82834798  0.48147145
   0.93075355  0.92628206  0.85635257
   0.92530066  0.87617021  0.66053918
   0.70886198  0.93005537  0.76728525
   0.81168652  0.65172704  0.96917057
   0.55893625  0.64549864  0.90949756
   0.68345703  0.78381218  0.60968311
   0.69477878  0.84940625  0.43647598
   0.87543435  0.15363423  0.12022043
   0.81345128  0.44275416  0.29285958
   0.27431808  0.04570789  0.71288368
   0.26424403  0.66227302  0.74557676
   0.06300373  1.07970354  0.24430906
   0.19777193  0.96958201 -0.01026973
   0.68178637  0.23635788  0.73968088
   0.86960715  0.31506936  0.59129690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877392   -0.149175   -0.064239
    -0.000000    9.940712   -0.037352
    -0.000000   -0.000000   13.745948
   Si   O    H 
    32    64    10
Direct configuration=    83
   0.18009797  0.13333559  0.01267216
   0.41400874  0.08153273  0.38220566
   0.15226055  0.38818683  0.13245373
   0.38785634  0.33428363  0.25319029
   0.15992921  0.13761305  0.49999395
   0.41589950  0.10516032  0.88347918
   0.09836502  0.39711196  0.61583930
   0.33977601  0.36103523  0.75922041
   0.15678411  0.65888152  0.01146927
   0.39923373  0.58164903  0.37378694
   0.10888280  0.89808823  0.15770232
   0.38200413  0.83506759  0.26118806
   0.13386927  0.64746355  0.48238027
   0.40062661  0.61498720  0.87444791
   0.07725722  0.90082864  0.60864327
   0.33997141  0.91042831  0.72354416
   0.66375191  0.15504306  1.00247810
   0.90364854  0.08432799  0.39095326
   0.64231425  0.40333164  0.12084313
   0.87874088  0.25298209  0.19424867
   0.66400794  0.15023265  0.51716399
   0.91191418  0.08147222  0.90073732
   0.60671171  0.41394605  0.64027897
   0.80153516  0.33162807  0.77363411
   0.65726687  0.66529597  0.00408249
   0.88586358  0.61491644  0.38455658
   0.60782821  0.91761577  0.12764260
   0.84175614  0.84994488  0.26490072
   0.64153329  0.65577415  0.49575671
   0.90706455  0.59591293  0.87297099
   0.63393342  0.90298368  0.66213333
   0.85901874  0.85612884  0.76861086
   0.13463274  0.04387741  0.11390053
   0.36500127  0.17818234  0.28943543
   0.18347046  0.28189656  0.05170664
   0.38963239  0.41663497  0.35686079
   0.51635112  0.35593037  0.18189588
   0.27913601  0.40168094  0.19486825
   0.29690179  0.07705712  0.46677857
   0.06158520  0.12032938  0.40665671
   0.07867767  0.06526332  0.59306128
   0.33908378  0.20658912  0.80297948
   0.15575225  0.29954529  0.52650050
   0.38965092  0.45349187  0.85027962
   0.44470022  0.37059469  0.67139545
   0.19623881  0.39615965  0.70818384
   0.33843973  0.12234509 -0.01354523
   0.05398403  0.15489413  0.93775934
   0.12243256  0.54077454  0.08430144
   0.38015116  0.66900563  0.27515638
   0.13745585  0.79977503  0.07169688
   0.45159695  0.92941058  0.34691897
   0.46579037  0.85936668  0.16033462
   0.22990724  0.88182776  0.24644540
   0.29739864  0.62301434  0.45877377
   0.04898116  0.62493019  0.38607080
   0.10189398  0.55185405  0.57722053
   0.35530444  0.69258333  0.77080723
   0.08773625  0.80679837  0.50851165
   0.38958025  0.95314420  0.84009358
   0.47602220  0.86969801  0.67006889
   0.19629553  0.83167266  0.67931292
   0.30223939  0.64647407 -0.03992818
   0.05649152  0.64425879  0.91913845
   0.60310921  0.07959044  0.09762788
   0.85226130  0.18382158  0.30030322
   0.66700634  0.32719164  0.01497621
   0.84594494  0.46204733  0.35837263
   0.03190270  0.31449923  0.19831146
   0.77780951  0.38128482  0.19020490
   0.81479021  0.13512591  0.48102709
   0.55392116  0.14665000  0.43417527
   0.62740193  0.05879256  0.60804337
   0.84093981  0.18406997  0.82238526
   0.68617631  0.29955151  0.57054012
   0.90884135  0.43590744  0.83434240
   0.93728764  0.34621636  0.64640177
   0.69664526  0.46332714  0.73619680
   0.80276209  0.07260535  0.99491714
   0.57397364  0.13723199  0.90671422
   0.61742828  0.56730741  0.09197183
   0.81859402  0.68884435  0.29355135
   0.66293605  0.83795076  0.03326139
   0.88881888  0.92689612  0.36595611
   0.96598654  0.83632867  0.19651041
   0.70333609  0.91988589  0.22870690
   0.81112058  0.65670235  0.48386023
   0.56328530  0.60174584  0.39584865
   0.58683386  0.53585959  0.57153978
   0.87507308  0.68872367  0.78739273
   0.60571281  0.82893842  0.48030420
   0.93124392  0.92790174  0.85688420
   0.92423153  0.87737703  0.66036057
   0.71002762  0.93137380  0.76671169
   0.81129219  0.65156762  0.96941768
   0.55972118  0.64599282  0.90974383
   0.68479147  0.78280165  0.61131119
   0.69731615  0.85087724  0.42987355
   0.86917069  0.14909156  0.11332213
   0.82218416  0.44384043  0.29031702
   0.27179264  0.03976446  0.70874949
   0.26242023  0.66248912  0.74889810
   0.06882127  1.08339509  0.24322576
   0.19960501  0.96929361 -0.00993977
   0.68062164  0.24922790  0.74312149
   0.86439719  0.31396410  0.59621901
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880697   -0.153939   -0.063073
    -0.000000    9.941405   -0.038022
    -0.000000   -0.000000   13.746109
   Si   O    H 
    32    64    10
Direct configuration=    84
   0.18017845  0.13345090  0.01261748
   0.41554125  0.08242496  0.38132354
   0.15117972  0.38917870  0.13041817
   0.38834911  0.33338167  0.25339099
   0.15943477  0.13840348  0.49984306
   0.41492021  0.10504612  0.88286436
   0.09775757  0.39627316  0.61633368
   0.33977773  0.36079421  0.75882785
   0.15640171  0.65863473  0.01081814
   0.40072115  0.58253770  0.37467946
   0.10911698  0.89727731  0.15707174
   0.38147913  0.83527945  0.26197912
   0.13345411  0.64600883  0.48265704
   0.40092527  0.61477097  0.87612937
   0.07548918  0.90030725  0.61005880
   0.33923731  0.91068748  0.72485511
   0.66358170  0.15612034  1.00155316
   0.90550838  0.08399358  0.39119454
   0.64341319  0.40427279  0.12022651
   0.87923086  0.25462374  0.19480638
   0.66464898  0.15034621  0.51769999
   0.91139956  0.08062683  0.90130178
   0.60726748  0.41603835  0.63961546
   0.80300006  0.33181960  0.77356732
   0.65578681  0.66698172  0.00321062
   0.88579245  0.61642108  0.38493273
   0.60739695  0.91863328  0.12832167
   0.84133872  0.84921885  0.26492956
   0.64199727  0.65690111  0.49595378
   0.90800719  0.59573058  0.87363333
   0.63357508  0.90217360  0.66245420
   0.85912545  0.85597069  0.76959570
   0.13489494  0.04348506  0.11298240
   0.36642715  0.17846048  0.28780050
   0.18277056  0.28339896  0.05183566
   0.39066183  0.41402208  0.35687060
   0.51534906  0.35718157  0.18088171
   0.27876105  0.40066745  0.19417475
   0.29781770  0.07748190  0.46723892
   0.06118069  0.12135069  0.40500278
   0.07942441  0.06536149  0.59308170
   0.34027401  0.20684738  0.80201022
   0.15409032  0.29972595  0.52820248
   0.38917255  0.45442355  0.85029633
   0.44380350  0.37061357  0.67167291
   0.19500923  0.39587247  0.70763028
   0.34071848  0.12140510 -0.01413706
   0.05480724  0.15440236  0.93735921
   0.12288993  0.54162379  0.08340123
   0.38006632  0.66812970  0.27584307
   0.13678682  0.80076667  0.07168735
   0.45230010  0.92991841  0.34618339
   0.46607355  0.85894074  0.16054370
   0.23074211  0.88066037  0.24728273
   0.29840778  0.62415417  0.45919704
   0.04806193  0.62367310  0.38615772
   0.10338861  0.55098863  0.57772528
   0.35434503  0.69093214  0.77063423
   0.08749839  0.80533247  0.50900593
   0.38859805  0.95422083  0.83952059
   0.47462191  0.86807431  0.67092267
   0.19657277  0.83099829  0.67880039
   0.30224042  0.64730740 -0.03957798
   0.05619557  0.64609298  0.91683666
   0.60370508  0.07863980  0.09660780
   0.85319400  0.18369335  0.30103301
   0.66746917  0.32612883  0.01383433
   0.84671628  0.46076754  0.35936219
   0.03483484  0.31482300  0.19832980
   0.77732984  0.38038476  0.18905360
   0.81549247  0.13584731  0.48060058
   0.55329993  0.14768774  0.43513476
   0.62752468  0.05948032  0.60885435
   0.84333924  0.18529442  0.82388775
   0.68672677  0.29861588  0.57076132
   0.90701922  0.43591847  0.83517320
   0.93768468  0.34532967  0.64611860
   0.69717006  0.46437119  0.73517158
   0.80267491  0.07334514  0.99581375
   0.57254760  0.13901384  0.90722097
   0.62011260  0.56787777  0.09280352
   0.81832669  0.68998881  0.29290419
   0.66501887  0.83674482  0.03379172
   0.88821729  0.92794882  0.36607311
   0.96698774  0.83809298  0.19481091
   0.70444922  0.92024031  0.22852139
   0.80957089  0.65520542  0.48385039
   0.56314497  0.60161815  0.39457033
   0.58630063  0.53522305  0.57122748
   0.87382825  0.69012480  0.78566227
   0.60457351  0.83021813  0.47897769
   0.93165448  0.92991355  0.85685642
   0.92355973  0.87836027  0.65969017
   0.71081085  0.93239703  0.76579575
   0.81114972  0.65108890  0.97003109
   0.56007046  0.64607561  0.91002560
   0.68275216  0.78108177  0.61236345
   0.68745124  0.85183227  0.42989774
   0.85877336  0.14786322  0.10995434
   0.83069383  0.44520654  0.28491096
   0.27394071  0.03585366  0.70279009
   0.26236973  0.66720823  0.75375751
   0.07558968  1.08356763  0.24103305
   0.20054554  0.96790330 -0.01313840
   0.67520168  0.25784386  0.74473115
   0.86992118  0.31405297  0.60264312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884325   -0.158905   -0.061964
    -0.000000    9.941621   -0.038201
    -0.000000   -0.000000   13.746355
   Si   O    H 
    32    64    10
Direct configuration=    85
   0.17960876  0.13313149  0.01301723
   0.41681128  0.08328708  0.38049074
   0.14918343  0.39022187  0.12863787
   0.38915047  0.33338887  0.25346899
   0.15868843  0.13975810  0.49988070
   0.41373664  0.10513233  0.88236293
   0.09666275  0.39615534  0.61683061
   0.33977372  0.36070311  0.75887019
   0.15567622  0.65905503  0.01019168
   0.40193270  0.58233483  0.37542768
   0.10987339  0.89689428  0.15671517
   0.38118455  0.83533942  0.26274147
   0.13326251  0.64540790  0.48264304
   0.40155871  0.61456202  0.87776013
   0.07409256  0.90033932  0.61114456
   0.33964649  0.91073025  0.72605795
   0.66321703  0.15765409  1.00100330
   0.90628118  0.08379867  0.39119608
   0.64417752  0.40542539  0.11964483
   0.87907348  0.25568333  0.19499937
   0.66524622  0.15055459  0.51821539
   0.91111066  0.07984054  0.90158089
   0.60772409  0.41734115  0.63914604
   0.80426216  0.33279054  0.77313651
   0.65416280  0.66939708  0.00256247
   0.88566584  0.61803780  0.38509961
   0.60749134  0.92009566  0.12834377
   0.84067761  0.84875948  0.26488750
   0.64283471  0.65812413  0.49605911
   0.90931506  0.59484712  0.87418742
   0.63320145  0.90131470  0.66275739
   0.85957348  0.85522641  0.76998936
   0.13569136  0.04369680  0.11235870
   0.36834265  0.17838839  0.28663542
   0.18324415  0.28522923  0.05143480
   0.39253844  0.41217652  0.35658154
   0.51475935  0.35790143  0.18035741
   0.27795730  0.40025129  0.19326790
   0.29911390  0.07856065  0.46805465
   0.06070437  0.12249375  0.40393208
   0.07990359  0.06490295  0.59346526
   0.34138407  0.20752501  0.80136854
   0.15240999  0.29934850  0.53013901
   0.38841155  0.45570359  0.84964034
   0.44321610  0.37062347  0.67237439
   0.19440055  0.39635322  0.70726056
   0.34283927  0.12085234 -0.01430889
   0.05484603  0.15379029  0.93692076
   0.12312878  0.54156926  0.08319507
   0.37978058  0.66778571  0.27641434
   0.13637167  0.79979256  0.07134091
   0.45269445  0.93007515  0.34511364
   0.46547714  0.85893672  0.16116549
   0.22988573  0.87987237  0.24788941
   0.29964182  0.62471389  0.45955598
   0.04711204  0.62272807  0.38652760
   0.10470236  0.55022489  0.57828116
   0.35305828  0.68994190  0.77091465
   0.08790874  0.80390765  0.50950676
   0.38838140  0.95564136  0.83920236
   0.47367721  0.86613294  0.67196602
   0.19637207  0.83033086  0.67811089
   0.30311022  0.64871326 -0.03878546
   0.05620179  0.64736103  0.91500953
   0.60309234  0.07746669  0.09573587
   0.85446031  0.18347759  0.30172829
   0.66787342  0.32464017  0.01304420
   0.84703327  0.45941035  0.35977206
   0.03782178  0.31539048  0.19837873
   0.77701019  0.38059970  0.18807845
   0.81547257  0.13543428  0.48029632
   0.55271072  0.14797963  0.43594140
   0.62779285  0.05901969  0.61017419
   0.84562774  0.18633211  0.82550918
   0.68644584  0.29827532  0.57097372
   0.90512118  0.43594243  0.83609505
   0.93886581  0.34481116  0.64655108
   0.69703595  0.46503336  0.73399254
   0.80253374  0.07453881  0.99603423
   0.57091890  0.14154623  0.90714568
   0.62196124  0.56817836  0.09315459
   0.81776151  0.69148788  0.29238391
   0.66635492  0.83482188  0.03402595
   0.88756055  0.92831996  0.36620074
   0.96831144  0.84030724  0.19359895
   0.70631380  0.92044033  0.22844838
   0.80766839  0.65409884  0.48364801
   0.56374487  0.60223447  0.39353926
   0.58571254  0.53554475  0.57095794
   0.87259128  0.69141003  0.78329449
   0.60490476  0.83022721  0.47794864
   0.93188869  0.93214651  0.85758306
   0.92271176  0.87884496  0.65939297
   0.71095011  0.93236501  0.76453767
   0.81160833  0.65112767  0.97079730
   0.56022478  0.64634398  0.90995050
   0.68125676  0.77993981  0.61042636
   0.66846848  0.85144016  0.43416203
   0.85159718  0.15067968  0.11691025
   0.84162889  0.45030939  0.28995249
   0.27674879  0.03822011  0.69600045
   0.26217640  0.66711277  0.75464663
   0.08124612  1.08377640  0.23729058
   0.19897627  0.96738930 -0.01490813
   0.67066316  0.26376836  0.74442032
   0.86998239  0.31120903  0.60200852
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888031   -0.163525   -0.060521
    -0.000000    9.941789   -0.038598
    -0.000000    0.000000   13.746465
   Si   O    H 
    32    64    10
Direct configuration=    86
   0.18026857  0.13271659  0.01333038
   0.41771213  0.08407565  0.37999152
   0.14662364  0.39148756  0.12709371
   0.38987184  0.33339931  0.25386951
   0.15765487  0.14115206  0.49978521
   0.41270303  0.10499880  0.88171471
   0.09481372  0.39652632  0.61680451
   0.34003596  0.36036357  0.75868143
   0.15512418  0.65994443  0.00962934
   0.40373011  0.58206351  0.37600254
   0.11074235  0.89627497  0.15668832
   0.38099553  0.83498603  0.26318494
   0.13332177  0.64509967  0.48287346
   0.40246465  0.61438934  0.87873351
   0.07295207  0.90009297  0.61188553
   0.33971127  0.91126312  0.72692933
   0.66265122  0.15873914  1.00051871
   0.90674672  0.08355929  0.39108875
   0.64399450  0.40637959  0.11945505
   0.87951391  0.25684618  0.19550393
   0.66532294  0.15178925  0.51864120
   0.91062392  0.07934810  0.90209375
   0.60749830  0.41853429  0.63864874
   0.80515006  0.33319839  0.77251167
   0.65317423  0.67201432  0.00145038
   0.88549900  0.61873538  0.38521098
   0.60790236  0.92125404  0.12789917
   0.84029030  0.84864473  0.26517718
   0.64387641  0.65912011  0.49588875
   0.91025702  0.59391635  0.87512419
   0.63288616  0.90048231  0.66246876
   0.85966462  0.85369655  0.77028451
   0.13564443  0.04362433  0.11182480
   0.37029475  0.17783319  0.28506827
   0.18384446  0.28632126  0.05058907
   0.39399509  0.41178924  0.35674945
   0.51579486  0.35788764  0.18017661
   0.27715325  0.40036687  0.19274937
   0.29971752  0.07944976  0.46939554
   0.06031106  0.12321473  0.40281900
   0.08042212  0.06445322  0.59331186
   0.34276269  0.20780476  0.80111382
   0.15082489  0.29921697  0.53185207
   0.38807285  0.45645075  0.84914771
   0.44436087  0.37039379  0.67244916
   0.19364379  0.39730407  0.70767733
   0.34414394  0.12014871 -0.01411033
   0.05472561  0.15284454  0.93701810
   0.12376136  0.54022675  0.08343702
   0.37831578  0.66832986  0.27690069
   0.13675894  0.79788338  0.07020867
   0.45314939  0.92987258  0.34440936
   0.46533827  0.85892387  0.16166180
   0.22883714  0.87964421  0.24777115
   0.30055608  0.62592970  0.46004035
   0.04590382  0.62162572  0.38640536
   0.10573544  0.54885254  0.57867154
   0.35274244  0.68957541  0.77139212
   0.08876002  0.80189978  0.51046887
   0.38869645  0.95637296  0.83902313
   0.47302128  0.86482528  0.67259901
   0.19666219  0.83073831  0.67742129
   0.30418860  0.65042806 -0.03782993
   0.05641827  0.64888338  0.91276696
   0.60264773  0.07666410  0.09424264
   0.85593230  0.18287608  0.30246753
   0.66853848  0.32334789  0.01238796
   0.84738315  0.45897310  0.36062234
   0.04064457  0.31545713  0.19805263
   0.77672958  0.38214584  0.18704348
   0.81627395  0.13460078  0.48039455
   0.55092604  0.14885206  0.43564325
   0.62838611  0.05881079  0.61173126
   0.84866705  0.18751484  0.82713342
   0.68640115  0.29746116  0.57159552
   0.90379949  0.43705969  0.83694892
   0.94034327  0.34334413  0.64729462
   0.69734433  0.46644745  0.73275245
   0.80384552  0.07538127  0.99559177
   0.56945843  0.14377025  0.90711959
   0.62412423  0.56872078  0.09359790
   0.81682437  0.69253952  0.29212651
   0.66721533  0.83290340  0.03392977
   0.88677462  0.92819158  0.36578463
   0.96946334  0.84226906  0.19259781
   0.70735683  0.92028858  0.22851761
   0.80701623  0.65352566  0.48424998
   0.56514692  0.60243220  0.39243545
   0.58577984  0.53733533  0.57070081
   0.87111400  0.69262903  0.78104233
   0.60497163  0.82932207  0.47758202
   0.93188847  0.93409901  0.85864656
   0.92145977  0.87879818  0.65892581
   0.71156280  0.93230297  0.76389119
   0.81219077  0.65130619  0.97135321
   0.56019521  0.64693851  0.90983011
   0.68024751  0.77737512  0.60519686
   0.66356462  0.85756428  0.42926664
   0.84586296  0.15892542  0.12401164
   0.84666161  0.45140919  0.29005165
   0.27561983  0.04359857  0.69113408
   0.25482929  0.66703044  0.75404635
   0.08454945  1.08497576  0.23433664
   0.19603785  0.97010713 -0.01877628
   0.66491361  0.26709507  0.74551540
   0.86749411  0.30627041  0.59843006
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891681   -0.168071   -0.058752
    -0.000000    9.942113   -0.038583
    -0.000000   -0.000000   13.746761
   Si   O    H 
    32    64    10
Direct configuration=    87
   0.18060215  0.13269235  0.01346502
   0.41899158  0.08421418  0.37943245
   0.14424075  0.39335390  0.12563229
   0.39090930  0.33350144  0.25451445
   0.15658816  0.14272686  0.49965531
   0.41200631  0.10576972  0.88123012
   0.09354615  0.39711586  0.61715901
   0.34078148  0.35920699  0.75868296
   0.15410344  0.66086389  0.00911210
   0.40565673  0.58121932  0.37603386
   0.11190244  0.89597759  0.15679707
   0.38120416  0.83439229  0.26338631
   0.13431093  0.64550706  0.48298274
   0.40317619  0.61455728  0.87975196
   0.07191071  0.89971977  0.61219078
   0.33979990  0.91228469  0.72778013
   0.66167248  0.15994193  0.99987480
   0.90687246  0.08369084  0.39095259
   0.64358494  0.40682388  0.11903729
   0.87994659  0.25812227  0.19601397
   0.66534270  0.15275027  0.51914956
   0.90976966  0.07916407  0.90222828
   0.60688183  0.41845728  0.63814116
   0.80471434  0.33382397  0.77270622
   0.65224390  0.67477475  0.00061277
   0.88522023  0.61900053  0.38492430
   0.60831309  0.92168144  0.12758482
   0.84051363  0.84831240  0.26549311
   0.64448220  0.65913106  0.49584633
   0.91062834  0.59282430  0.87584401
   0.63238179  0.89969772  0.66176717
   0.85995125  0.85289951  0.77048961
   0.13570347  0.04387099  0.11182673
   0.37130749  0.17648828  0.28347457
   0.18471588  0.28723843  0.04936622
   0.39490063  0.41188498  0.35659824
   0.51717318  0.35796479  0.18044718
   0.27622161  0.40093518  0.19182638
   0.30024571  0.07983999  0.47030707
   0.06067279  0.12389854  0.40200857
   0.08205625  0.06406153  0.59325836
   0.34348589  0.20827884  0.80044956
   0.15037181  0.29889882  0.53329348
   0.38689273  0.45704052  0.84886779
   0.44651406  0.37057019  0.67247832
   0.19296180  0.39823071  0.70810245
   0.34546425  0.11972542 -0.01391998
   0.05475791  0.15211310  0.93726015
   0.12349449  0.53877423  0.08376116
   0.37731960  0.66946300  0.27721332
   0.13775766  0.79572342  0.06902973
   0.45271581  0.93052991  0.34308522
   0.46506523  0.85795373  0.16188916
   0.22686459  0.87922138  0.24704613
   0.30056011  0.62772732  0.46071650
   0.04560313  0.62070357  0.38607403
   0.10657451  0.54764382  0.57965083
   0.35109803  0.68927543  0.77226086
   0.08964436  0.80068201  0.51156504
   0.38951555  0.95687798  0.83885204
   0.47258952  0.86369067  0.67280013
   0.19682999  0.83113369  0.67686436
   0.30511431  0.65225056 -0.03678219
   0.05738389  0.65017435  0.91018629
   0.60203473  0.07655888  0.09278869
   0.85703006  0.18251763  0.30293808
   0.67010182  0.32316402  0.01238095
   0.84838015  0.45933777  0.36117744
   0.04233116  0.31604846  0.19788418
   0.77616545  0.38387760  0.18619977
   0.81770618  0.13363468  0.48013631
   0.54916806  0.14971038  0.43475573
   0.62883736  0.05845025  0.61298114
   0.85147432  0.18896727  0.82872588
   0.68585934  0.29726476  0.57228876
   0.90246944  0.43904119  0.83827038
   0.94092117  0.34204126  0.64735056
   0.69709840  0.46801670  0.73238908
   0.80531719  0.07585051  0.99540008
   0.56893965  0.14503005  0.90714589
   0.62591627  0.56863961  0.09370455
   0.81598944  0.69396650  0.29189578
   0.66766280  0.83100930  0.03434829
   0.88618847  0.92823729  0.36525665
   0.97045133  0.84410904  0.19129720
   0.70570991  0.92169737  0.22833467
   0.80643250  0.65301630  0.48445905
   0.56616727  0.60270151  0.39155266
   0.58555878  0.53972902  0.57013264
   0.86959253  0.69428404  0.77934136
   0.60380106  0.82828655  0.47725621
   0.93199226  0.93607310  0.85950278
   0.92087633  0.87828989  0.65824223
   0.71197752  0.93183748  0.76336072
   0.81324492  0.65115021  0.97148363
   0.56011746  0.64746751  0.90931308
   0.67843669  0.77783019  0.60049949
   0.66972722  0.87028569  0.41950309
   0.84258651  0.16447385  0.12762314
   0.85060396  0.44869303  0.28710741
   0.28038732  0.04586175  0.68732767
   0.25214193  0.67374105  0.75544539
   0.08697481  1.08518006  0.23373954
   0.18985660  0.97526870 -0.02066491
   0.66182313  0.26743276  0.74470180
   0.86958469  0.30418955  0.59524378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895331   -0.172309   -0.056966
    -0.000000    9.942945   -0.038411
    -0.000000   -0.000000   13.746883
   Si   O    H 
    32    64    10
Direct configuration=    88
   0.18085646  0.13243618  0.01330608
   0.41965495  0.08500304  0.37927928
   0.14279573  0.39565142  0.12471790
   0.39121694  0.33342020  0.25492218
   0.15536247  0.14416292  0.49923031
   0.41161938  0.10650753  0.88050203
   0.09299672  0.39711949  0.61786966
   0.34099963  0.35834466  0.75854930
   0.15266002  0.66126104  0.00832139
   0.40792069  0.58087437  0.37595462
   0.11327158  0.89586958  0.15762242
   0.38112048  0.83387410  0.26339542
   0.13532699  0.64510116  0.48318685
   0.40340158  0.61482068  0.88040139
   0.07169887  0.89896573  0.61233142
   0.34011100  0.91316590  0.72823543
   0.66092018  0.16115328  0.99889312
   0.90635413  0.08355793  0.39027871
   0.64289826  0.40726799  0.11823044
   0.88028967  0.25973539  0.19696915
   0.66494569  0.15349509  0.51987426
   0.90973766  0.07919918  0.90249193
   0.60619358  0.41836196  0.63799575
   0.80374547  0.33413055  0.77257361
   0.65166994  0.67678655  0.00003943
   0.88485370  0.61872913  0.38418863
   0.60873443  0.92230381  0.12717259
   0.84131319  0.84729424  0.26619606
   0.64487088  0.65925116  0.49606116
   0.91040325  0.59228993  0.87680454
   0.63249687  0.89925186  0.66074930
   0.86013576  0.85179612  0.77081393
   0.13610487  0.04435052  0.11185379
   0.37251062  0.17541926  0.28252426
   0.18526630  0.28695168  0.04787309
   0.39555411  0.41268337  0.35671352
   0.51859375  0.35777460  0.18030303
   0.27501490  0.40186477  0.19131308
   0.30088202  0.08107058  0.47109283
   0.06132019  0.12557388  0.40151115
   0.08337659  0.06291823  0.59320799
   0.34424549  0.20816993  0.79957336
   0.15076873  0.29844668  0.53440088
   0.38478696  0.45759022  0.84879021
   0.44904386  0.37122495  0.67251599
   0.19262892  0.39941127  0.70853429
   0.34576751  0.11940526 -0.01424149
   0.05453691  0.15099084  0.93723149
   0.12307035  0.53779448  0.08388312
   0.37677416  0.67065615  0.27728995
   0.13905268  0.79296614  0.06788660
   0.45216690  0.93064821  0.34186824
   0.46441035  0.85655127  0.16261357
   0.22523288  0.87825491  0.24599715
   0.29931294  0.62991464  0.46148290
   0.04530043  0.61975285  0.38606943
   0.10708641  0.54610835  0.57997856
   0.34914408  0.68886216  0.77327925
   0.09011298  0.79881714  0.51268050
   0.38984113  0.95700647  0.83848582
   0.47178397  0.86157025  0.67303060
   0.19707822  0.83237972  0.67687951
   0.30581334  0.65475591 -0.03548527
   0.05944878  0.65257701  0.90841996
   0.60073197  0.07666514  0.09197062
   0.85735761  0.18271565  0.30374462
   0.67126844  0.32367877  0.01281042
   0.84923782  0.46071333  0.36126300
   0.04234128  0.31618811  0.19833365
   0.77622116  0.38467023  0.18565207
   0.81864552  0.13337242  0.48024898
   0.54739941  0.15030095  0.43336505
   0.62864361  0.05868774  0.61411254
   0.85440373  0.19034268  0.82962824
   0.68465878  0.29788199  0.57325084
   0.90152959  0.44129813  0.83891078
   0.94044132  0.34055623  0.64700350
   0.69633547  0.47006472  0.73182420
   0.80689041  0.07619381  0.99535535
   0.56713556  0.14558339  0.90689819
   0.62780029  0.56767304  0.09371240
   0.81513574  0.69484808  0.29210698
   0.66727878  0.82879310  0.03480251
   0.88525550  0.92798305  0.36448793
   0.97098165  0.84478029  0.19043417
   0.70434746  0.92232897  0.22797173
   0.80558211  0.65225640  0.48479673
   0.56715796  0.60255045  0.39153901
   0.58501991  0.54207243  0.56946835
   0.86818563  0.69540136  0.77780430
   0.60284446  0.82697702  0.47655449
   0.93231409  0.93762048  0.86067781
   0.92057616  0.87684797  0.65761273
   0.71177164  0.93111608  0.76325472
   0.81421349  0.65121770  0.97159226
   0.55888464  0.64798779  0.90874314
   0.67780540  0.78300747  0.59982952
   0.66552724  0.87884218  0.41794911
   0.83767968  0.16182112  0.12690989
   0.85349427  0.44633445  0.28851469
   0.29253624  0.04390114  0.68661936
   0.25707782  0.68191793  0.75914129
   0.08902912  1.08330806  0.23240798
   0.18520106  0.98019988 -0.02499382
   0.66186987  0.26288453  0.74540297
   0.87949073  0.30934155  0.59661963
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898805   -0.176641   -0.055594
    -0.000000    9.943926   -0.038416
    -0.000000    0.000000   13.746862
   Si   O    H 
    32    64    10
Direct configuration=    89
   0.18109457  0.13268606  0.01335900
   0.41974110  0.08571548  0.37871480
   0.14203784  0.39755661  0.12400418
   0.39149500  0.33388168  0.25519292
   0.15427968  0.14555934  0.49836589
   0.41226219  0.10692428  0.87972834
   0.09230128  0.39760945  0.61863379
   0.34154159  0.35836470  0.75814501
   0.15139468  0.66088738  0.00796202
   0.40960629  0.58022166  0.37607645
   0.11493474  0.89663310  0.15804014
   0.38068422  0.83385615  0.26353888
   0.13634045  0.64463578  0.48367170
   0.40404597  0.61557333  0.88036287
   0.07177009  0.89769393  0.61236065
   0.33947292  0.91375629  0.72786583
   0.66043160  0.16188890  0.99792380
   0.90542605  0.08415683  0.38960535
   0.64286711  0.40781315  0.11701712
   0.88099632  0.26086318  0.19808161
   0.66446141  0.15403843  0.52047233
   0.91016182  0.07937327  0.90351394
   0.60482470  0.41849434  0.63805572
   0.80253882  0.33398318  0.77295214
   0.65088410  0.67812191 -0.00033832
   0.88442018  0.61819427  0.38321891
   0.60951365  0.92296680  0.12666744
   0.84119233  0.84640647  0.26696500
   0.64538374  0.66004043  0.49581764
   0.90990373  0.59194132  0.87762332
   0.63303640  0.89947965  0.65940211
   0.86000868  0.85098520  0.77113726
   0.13706116  0.04465566  0.11182397
   0.37415575  0.17330937  0.28168292
   0.18603643  0.28781245  0.04657080
   0.39695796  0.41367852  0.35670152
   0.52019468  0.35740056  0.18049968
   0.27403387  0.40323968  0.19059222
   0.30163454  0.08175037  0.47157514
   0.06208245  0.12745891  0.40120169
   0.08486126  0.06128677  0.59337868
   0.34502248  0.20822366  0.79874481
   0.15101032  0.29752240  0.53544119
   0.38264595  0.45745955  0.84844744
   0.45084847  0.37207224  0.67268290
   0.19214929  0.40020108  0.70967382
   0.34578868  0.11881128 -0.01423744
   0.05407524  0.14971742  0.93756835
   0.12267419  0.53754600  0.08409173
   0.37537880  0.67206937  0.27829325
   0.14065636  0.79106765  0.06658271
   0.45080466  0.93106794  0.34091229
   0.46355368  0.85522572  0.16289733
   0.22419152  0.87704602  0.24498793
   0.29801122  0.63168544  0.46207325
   0.04590216  0.61900755  0.38614169
   0.10819459  0.54556664  0.57987661
   0.34843163  0.68916496  0.77434768
   0.09089436  0.79760401  0.51402963
   0.39081922  0.95796192  0.83830476
   0.47166771  0.85931715  0.67301002
   0.19734669  0.83283047  0.67662871
   0.30611660  0.65785973 -0.03373480
   0.06143370  0.65420851  0.90681704
   0.60010726  0.07722086  0.09159610
   0.85739330  0.18324737  0.30410393
   0.67260295  0.32414924  0.01291657
   0.85079748  0.46145376  0.36073715
   0.04190939  0.31707843  0.19917340
   0.77642359  0.38638054  0.18544939
   0.81960801  0.13323538  0.48091799
   0.54606650  0.15114913  0.43276049
   0.62917666  0.05887640  0.61493297
   0.85684526  0.19131222  0.83034537
   0.68271875  0.29918032  0.57400277
   0.90073877  0.44323165  0.83937143
   0.93948964  0.33959122  0.64713869
   0.69534669  0.47147404  0.73088151
   0.80736306  0.07713739  0.99539187
   0.56559081  0.14552094  0.90667511
   0.62856516  0.56652591  0.09391646
   0.81351938  0.69510404  0.29253350
   0.66738735  0.82762080  0.03565800
   0.88390222  0.92786328  0.36367318
   0.97110227  0.84595749  0.19000615
   0.70378096  0.92248277  0.22724995
   0.80529785  0.65212717  0.48572360
   0.56842030  0.60280904  0.39199539
   0.58534624  0.54349919  0.56929517
   0.86678450  0.69533107  0.77667083
   0.60183977  0.82603596  0.47533625
   0.93289217  0.93872822  0.86152163
   0.92047808  0.87548669  0.65665315
   0.71210749  0.92985378  0.76331397
   0.81564931  0.65072574  0.97057466
   0.55788948  0.64891055  0.90819232
   0.67835142  0.78653883  0.59910994
   0.65416870  0.87993390  0.42392591
   0.83662695  0.15790636  0.12558889
   0.85386737  0.44324723  0.29113067
   0.30754398  0.04071432  0.68875452
   0.24822528  0.68542669  0.76137424
   0.08875471  1.07952671  0.23445476
   0.18051904  0.98415741 -0.02914720
   0.66814832  0.25504612  0.74573876
   0.88713405  0.31545203  0.59450402
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902182   -0.180744   -0.054176
    -0.000000    9.944924   -0.038633
    -0.000000    0.000000   13.747098
   Si   O    H 
    32    64    10
Direct configuration=    90
   0.18142931  0.13316755  0.01301768
   0.41942064  0.08654838  0.37832528
   0.14132127  0.39856563  0.12366193
   0.39206852  0.33430831  0.25513649
   0.15387069  0.14681652  0.49748670
   0.41263633  0.10774443  0.87910807
   0.09245785  0.39736082  0.61917165
   0.34170332  0.35854373  0.75744981
   0.15072600  0.66014346  0.00760112
   0.41073271  0.57902414  0.37623224
   0.11607045  0.89807969  0.15800855
   0.38081825  0.83389092  0.26350668
   0.13719197  0.64348825  0.48440411
   0.40422094  0.61639286  0.87982030
   0.07205914  0.89627844  0.61253638
   0.33868707  0.91400761  0.72728675
   0.66002421  0.16256768  0.99695019
   0.90510630  0.08513760  0.38913632
   0.64283608  0.40850888  0.11569250
   0.88202492  0.26143370  0.19883898
   0.66372710  0.15442815  0.52120632
   0.91026044  0.08024432  0.90458606
   0.60362601  0.41811559  0.63786668
   0.80114382  0.33402304  0.77355631
   0.65001236  0.67923337 -0.00039249
   0.88437700  0.61805673  0.38218367
   0.61045624  0.92332020  0.12663282
   0.84103134  0.84543000  0.26776313
   0.64538029  0.66072709  0.49525567
   0.90956841  0.59210224  0.87841058
   0.63321934  0.89955129  0.65831516
   0.86012382  0.85096094  0.77098314
   0.13781631  0.04464343  0.11116181
   0.37559007  0.17185428  0.28089452
   0.18606187  0.28926293  0.04604284
   0.39834493  0.41472367  0.35722420
   0.52199316  0.35621917  0.18048244
   0.27283779  0.40457920  0.19015687
   0.30255046  0.08290550  0.47131837
   0.06348977  0.12967265  0.40100367
   0.08661835  0.06071604  0.59350263
   0.34653712  0.20732101  0.79716922
   0.15145032  0.29518927  0.53554524
   0.37979677  0.45791196  0.84856045
   0.45204542  0.37233705  0.67301311
   0.19249517  0.40068727  0.71032452
   0.34532455  0.11766360 -0.01412515
   0.05426149  0.14833731  0.93776454
   0.12215036  0.53892484  0.08383682
   0.37414465  0.67271859  0.27969883
   0.14134438  0.79030916  0.06584091
   0.44868623  0.93169783  0.34031810
   0.46355512  0.85465538  0.16310545
   0.22331420  0.87628647  0.24351410
   0.29635509  0.63314567  0.46258435
   0.04669797  0.61803974  0.38635727
   0.10914285  0.54582623  0.57905084
   0.34698598  0.68910901  0.77605785
   0.09155640  0.79688330  0.51565016
   0.39123830  0.95890924  0.83863974
   0.47199705  0.85716995  0.67271927
   0.19769756  0.83395496  0.67717633
   0.30583413  0.66034220 -0.03186477
   0.06359598  0.65507436  0.90550259
   0.59863986  0.07744242  0.09151474
   0.85695493  0.18416987  0.30478232
   0.67325459  0.32436276  0.01346493
   0.85223000  0.46255170  0.36055734
   0.04092466  0.31696905  0.19934022
   0.77697704  0.38790603  0.18515677
   0.81969560  0.13327014  0.48171064
   0.54575543  0.15124551  0.43249972
   0.62985764  0.05874891  0.61526953
   0.85878151  0.19260276  0.83005224
   0.68076012  0.30044360  0.57502794
   0.89917238  0.44461650  0.83942746
   0.93888125  0.33914764  0.64855474
   0.69524811  0.47221538  0.73004621
   0.80720718  0.07946123  0.99508322
   0.56461069  0.14585667  0.90632098
   0.62953447  0.56503747  0.09427460
   0.81197153  0.69451056  0.29252893
   0.66752436  0.82683200  0.03694130
   0.88282168  0.92723585  0.36365215
   0.97091971  0.84634642  0.18935090
   0.70410441  0.92242912  0.22673871
   0.80480108  0.65170476  0.48657752
   0.56953176  0.60281052  0.39255101
   0.58622250  0.54527567  0.56924821
   0.86605732  0.69552567  0.77653336
   0.60100960  0.82480869  0.47428578
   0.93399484  0.93936742  0.86166419
   0.92079240  0.87388529  0.65563167
   0.71244632  0.92781934  0.76340309
   0.81721118  0.65056861  0.96920150
   0.55729480  0.65023809  0.90795501
   0.67858729  0.79164535  0.59733290
   0.64461625  0.87715507  0.43027913
   0.83832856  0.15679360  0.12385921
   0.85422329  0.43749681  0.29106774
   0.31769487  0.04463829  0.68891144
   0.24511252  0.69271994  0.76542111
   0.08848087  1.07589694  0.23781148
   0.17647142  0.98731924 -0.03157628
   0.68048051  0.24977288  0.74846302
   0.88493312  0.31662705  0.58076655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905763   -0.184486   -0.052570
    -0.000000    9.945567   -0.039170
    -0.000000    0.000000   13.747243
   Si   O    H 
    32    64    10
Direct configuration=    91
   0.18240063  0.13351208  0.01232293
   0.41855385  0.08752685  0.37815991
   0.14120435  0.39881582  0.12398140
   0.39243178  0.33504247  0.25487621
   0.15389111  0.14788590  0.49662124
   0.41308782  0.10819036  0.87924138
   0.09316839  0.39686920  0.61949821
   0.34139886  0.35867712  0.75674742
   0.14942684  0.65965092  0.00696791
   0.41099373  0.57874747  0.37630332
   0.11714621  0.89876773  0.15819363
   0.38073918  0.83414266  0.26364533
   0.13860774  0.64276695  0.48540669
   0.40428028  0.61665588  0.87945145
   0.07245652  0.89480310  0.61282594
   0.33814216  0.91430359  0.72634178
   0.65971910  0.16292701  0.99666889
   0.90468883  0.08608217  0.38858638
   0.64275911  0.40892957  0.11456801
   0.88293729  0.26197592  0.19950441
   0.66236845  0.15534086  0.52150686
   0.91076763  0.08123970  0.90491247
   0.60288037  0.41805049  0.63741385
   0.79967968  0.33386709  0.77406998
   0.64993058  0.67926076 -0.00018296
   0.88443528  0.61757284  0.38141849
   0.61164922  0.92363244  0.12609565
   0.84153344  0.84521001  0.26810783
   0.64554565  0.66156551  0.49471447
   0.90927650  0.59391419  0.87950736
   0.63311818  0.89993020  0.65737539
   0.86016380  0.85127773  0.77071084
   0.13855409  0.04455560  0.11021160
   0.37671310  0.16968858  0.28021257
   0.18581453  0.29045393  0.04514760
   0.39949046  0.41552012  0.35754057
   0.52358139  0.35436745  0.18056160
   0.27281737  0.40612329  0.19043840
   0.30332876  0.08408575  0.47136399
   0.06542204  0.13147220  0.40110648
   0.08820791  0.06039283  0.59326199
   0.34807998  0.20625366  0.79615149
   0.15159396  0.29392586  0.53603849
   0.37653278  0.45863223  0.84879408
   0.45301685  0.37232168  0.67312379
   0.19334259  0.40071703  0.71134194
   0.34544375  0.11651955 -0.01413301
   0.05395756  0.14697397  0.93807232
   0.12148478  0.54062034  0.08323847
   0.37469888  0.67323822  0.28158360
   0.14191321  0.79044509  0.06534137
   0.44664149  0.93296871  0.34015652
   0.46342582  0.85403141  0.16320608
   0.22235402  0.87520652  0.24161400
   0.29496641  0.63412453  0.46202183
   0.04789733  0.61729577  0.38691823
   0.10992402  0.54652541  0.57780116
   0.34492796  0.68954892  0.77787980
   0.09239062  0.79613147  0.51751672
   0.39161001  0.95911767  0.83899752
   0.47278717  0.85589478  0.67262757
   0.19805949  0.83418223  0.67753371
   0.30614220  0.66261568 -0.03084046
   0.06415791  0.65655414  0.90484762
   0.59781914  0.07814431  0.09163353
   0.85593759  0.18606647  0.30493001
   0.67416554  0.32434585  0.01385449
   0.85365891  0.46321120  0.36050499
   0.03988506  0.31651629  0.19911520
   0.77735941  0.38979017  0.18527421
   0.81976040  0.13326301  0.48306243
   0.54678962  0.15127745  0.43256149
   0.63040316  0.05867189  0.61559364
   0.86008268  0.19319693  0.82924091
   0.67902164  0.30186172  0.57563527
   0.89769557  0.44564181  0.83932013
   0.93796730  0.33882670  0.64929704
   0.69538955  0.47262573  0.72910930
   0.80756281  0.08130061  0.99451970
   0.56420723  0.14580831  0.90590163
   0.63016579  0.56421310  0.09379222
   0.80999834  0.69370743  0.29236485
   0.66786497  0.82696982  0.03830322
   0.88196255  0.92638214  0.36385261
   0.97005691  0.84620939  0.18850192
   0.70465140  0.92179042  0.22652267
   0.80474807  0.65201776  0.48701692
   0.57118247  0.60192503  0.39337851
   0.58660073  0.54708712  0.56896129
   0.86545347  0.69441287  0.77662140
   0.59899346  0.82409032  0.47403479
   0.93490171  0.93913528  0.86146441
   0.92116520  0.87189976  0.65510144
   0.71309578  0.92569383  0.76374083
   0.81886863  0.65019816  0.96732148
   0.55558713  0.65161314  0.90708703
   0.68331342  0.79717624  0.59210822
   0.63894450  0.88248370  0.43121544
   0.84052418  0.16037368  0.12280015
   0.85549961  0.43596347  0.29217789
   0.32561692  0.05356108  0.68991010
   0.24694798  0.70170444  0.76833959
   0.08799084  1.07285891  0.24301185
   0.17093389  0.98580922 -0.03550310
   0.68870336  0.23962154  0.75234819
   0.89120938  0.31928324  0.57594830
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909335   -0.188385   -0.051446
    -0.000000    9.946326   -0.040293
    -0.000000    0.000000   13.747292
   Si   O    H 
    32    64    10
Direct configuration=    92
   0.18292934  0.13354330  0.01198833
   0.41772844  0.08828863  0.37764364
   0.14175867  0.39860739  0.12449566
   0.39237061  0.33567987  0.25462300
   0.15420416  0.14880401  0.49559410
   0.41350157  0.10863503  0.87967753
   0.09358669  0.39621894  0.61956464
   0.34066588  0.35947042  0.75628518
   0.14846065  0.65919353  0.00620344
   0.41097256  0.57835027  0.37638132
   0.11799437  0.89880140  0.15826993
   0.38030853  0.83444315  0.26345489
   0.13975678  0.64221701  0.48623369
   0.40326184  0.61685207  0.87894879
   0.07301023  0.89374576  0.61325047
   0.33772096  0.91427176  0.72504066
   0.65988262  0.16248991  0.99689760
   0.90438521  0.08625549  0.38819932
   0.64310590  0.40940436  0.11422511
   0.88352214  0.26254683  0.20023822
   0.66086134  0.15616468  0.52161641
   0.91113912  0.08337905  0.90497888
   0.60183545  0.41748188  0.63712058
   0.79845085  0.33365996  0.77475304
   0.64967794  0.67884667  0.00021333
   0.88419493  0.61748127  0.38118671
   0.61208947  0.92399421  0.12601469
   0.84214200  0.84529925  0.26800132
   0.64517458  0.66285091  0.49442933
   0.90889911  0.59602579  0.88027773
   0.63275580  0.90016790  0.65639838
   0.85982852  0.85167601  0.77028960
   0.13830399  0.04473090  0.10963914
   0.37899603  0.16836899  0.27983159
   0.18551727  0.29132772  0.04447266
   0.40061294  0.41626275  0.35759278
   0.52572429  0.35249832  0.18148686
   0.27279777  0.40692948  0.19106651
   0.30458511  0.08590376  0.47105179
   0.06700152  0.13250999  0.40111834
   0.08953760  0.05904146  0.59310558
   0.34967599  0.20533912  0.79500698
   0.15111720  0.29353846  0.53708843
   0.37477871  0.45955367  0.84902109
   0.45448026  0.37197071  0.67283918
   0.19480192  0.40064678  0.71248476
   0.34538595  0.11517639 -0.01461584
   0.05321224  0.14575396  0.93878454
   0.12072751  0.54205880  0.08293723
   0.37528104  0.67341605  0.28279202
   0.14260338  0.79150889  0.06469039
   0.44496242  0.93488577  0.34100982
   0.46425231  0.85361743  0.16327871
   0.22106335  0.87502364  0.24069193
   0.29486327  0.63463152  0.46072464
   0.04905823  0.61716132  0.38784210
   0.10974493  0.54697609  0.57671283
   0.34291542  0.69077670  0.77956062
   0.09312235  0.79615097  0.51992319
   0.39155574  0.95787877  0.83846509
   0.47361386  0.85508691  0.67288719
   0.19851377  0.83457074  0.67735541
   0.30749323  0.66508256 -0.02985864
   0.06397401  0.65837686  0.90412362
   0.59620693  0.07914994  0.09191822
   0.85495559  0.18764722  0.30492084
   0.67433325  0.32542439  0.01480380
   0.85481393  0.46364355  0.35995184
   0.03885672  0.31690696  0.19884507
   0.77846738  0.38971442  0.18579211
   0.81880919  0.13340537  0.48420744
   0.54860295  0.15079749  0.43257519
   0.63042280  0.05853390  0.61573313
   0.86144880  0.19393602  0.82764754
   0.67691173  0.30301996  0.57579402
   0.89609283  0.44608555  0.83900503
   0.93782766  0.33913850  0.64940375
   0.69653842  0.47367755  0.72863771
   0.80881404  0.08319367  0.99408934
   0.56503191  0.14523190  0.90531730
   0.63069903  0.56415035  0.09331904
   0.80755386  0.69286745  0.29223411
   0.66745977  0.82787297  0.03960649
   0.88124365  0.92557577  0.36477009
   0.96860023  0.84574370  0.18788875
   0.70480264  0.92090809  0.22637077
   0.80578029  0.65173267  0.48655046
   0.57255878  0.60091899  0.39413474
   0.58666940  0.54909044  0.56829531
   0.86569337  0.69249321  0.77665617
   0.59664485  0.82328976  0.47394773
   0.93614144  0.93686315  0.86094139
   0.92101081  0.87096995  0.65437999
   0.71362193  0.92303918  0.76408032
   0.82030128  0.64922874  0.96611478
   0.55480758  0.65309966  0.90603133
   0.69074355  0.80172188  0.59152821
   0.64407169  0.89274710  0.42379065
   0.84571299  0.16402015  0.12365026
   0.85284236  0.43215602  0.29206722
   0.33276838  0.06142925  0.69109563
   0.24562076  0.70791080  0.77040022
   0.08957409  1.07161561  0.24506608
   0.16438004  0.97893252 -0.03565216
   0.69656815  0.23470514  0.75498207
   0.90063617  0.32166336  0.57945236
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913232   -0.192348   -0.050703
    -0.000000    9.947582   -0.041128
    -0.000000   -0.000000   13.746859
   Si   O    H 
    32    64    10
Direct configuration=    93
   0.18337742  0.13350597  0.01171409
   0.41686391  0.08911625  0.37722196
   0.14292915  0.39846248  0.12504707
   0.39265414  0.33616752  0.25386041
   0.15461222  0.14955089  0.49464216
   0.41425612  0.10927723  0.87985389
   0.09397654  0.39548510  0.61975419
   0.34041344  0.36021159  0.75598385
   0.14775475  0.65870860  0.00515746
   0.41150068  0.57822770  0.37622073
   0.11861896  0.89860769  0.15836404
   0.37958180  0.83483932  0.26304882
   0.14047728  0.64175740  0.48625797
   0.40173729  0.61690269  0.87815521
   0.07390908  0.89280335  0.61346385
   0.33795532  0.91411407  0.72410389
   0.65993992  0.16197087  0.99764556
   0.90415745  0.08656759  0.38775098
   0.64337740  0.41111226  0.11383863
   0.88369823  0.26264501  0.20098285
   0.65981162  0.15671595  0.52205655
   0.91170822  0.08570350  0.90505392
   0.60088725  0.41699590  0.63698330
   0.79790913  0.33405466  0.77595558
   0.64984035  0.67795371  0.00036899
   0.88422462  0.61768684  0.38144862
   0.61234856  0.92444714  0.12670961
   0.84259936  0.84569558  0.26733437
   0.64470590  0.66423584  0.49411688
   0.90851011  0.59785159  0.88107268
   0.63213221  0.90038249  0.65545335
   0.85988742  0.85169971  0.76989650
   0.13825185  0.04514790  0.10927627
   0.38189216  0.16845625  0.27991046
   0.18495360  0.29174177  0.04359835
   0.40109115  0.41700280  0.35752586
   0.52791495  0.35158226  0.18319379
   0.27379938  0.40736885  0.19204266
   0.30525776  0.08733920  0.47081635
   0.06794068  0.13293712  0.40031280
   0.09017276  0.05753703  0.59285710
   0.35089466  0.20361973  0.79350646
   0.15009972  0.29368601  0.53798443
   0.37353455  0.46008865  0.84903782
   0.45577883  0.37069653  0.67257069
   0.19700589  0.39949778  0.71394673
   0.34580926  0.11445662 -0.01470665
   0.05302993  0.14462468  0.93890533
   0.12001158  0.54408689  0.08237900
   0.37559210  0.67415650  0.28420786
   0.14213841  0.79392444  0.06501585
   0.44297002  0.93690223  0.34218278
   0.46512994  0.85252292  0.16277400
   0.22053537  0.87492296  0.23979306
   0.29547424  0.63517968  0.45926585
   0.04976527  0.61702193  0.38860030
   0.10907157  0.54749722  0.57537418
   0.34138647  0.69208748  0.78124379
   0.09375454  0.79609302  0.52148495
   0.39051462  0.95633370  0.83795506
   0.47468183  0.85472822  0.67314408
   0.19920535  0.83521922  0.67733512
   0.30927503  0.66708669 -0.02917334
   0.06366553  0.65917977  0.90323152
   0.59498760  0.08067019  0.09244353
   0.85364995  0.18893850  0.30494102
   0.67333977  0.32609849  0.01589613
   0.85506868  0.46363841  0.36054481
   0.03777866  0.31745398  0.19901588
   0.77918728  0.38863945  0.18582322
   0.81848703  0.13424384  0.48566595
   0.55098843  0.15026697  0.43211887
   0.63042715  0.05883372  0.61627982
   0.86322267  0.19489639  0.82669873
   0.67539710  0.30390566  0.57527634
   0.89449641  0.44609712  0.83884059
   0.93734162  0.34059944  0.64900370
   0.69679195  0.47411310  0.72880785
   0.80923536  0.08494733  0.99360359
   0.56627618  0.14434448  0.90472300
   0.63156217  0.56508663  0.09187236
   0.80467701  0.69226855  0.29263419
   0.66676334  0.82910648  0.04053076
   0.88098728  0.92579559  0.36562095
   0.96771511  0.84570834  0.18763047
   0.70581813  0.91991421  0.22595148
   0.80716575  0.65129586  0.48628520
   0.57316461  0.59977667  0.39463362
   0.58748107  0.55099117  0.56781043
   0.86553583  0.69016724  0.77722922
   0.59406532  0.82394908  0.47321851
   0.93722324  0.93471160  0.85927570
   0.92062773  0.87054493  0.65403204
   0.71440581  0.92094088  0.76391167
   0.82084172  0.64867775  0.96561013
   0.55508508  0.65546729  0.90508590
   0.69502645  0.80250647  0.59215162
   0.64664915  0.89546395  0.42000280
   0.85025886  0.17021721  0.12645507
   0.84893402  0.43190744  0.29270950
   0.34308504  0.06534003  0.69275961
   0.24283977  0.71046408  0.77375218
   0.09171220  1.07117065  0.24568070
   0.15988514  0.97496806 -0.03311948
   0.69412541  0.22254891  0.75527924
   0.90518517  0.32334898  0.58648617
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917006   -0.196407   -0.049437
    -0.000000    9.949129   -0.042105
    -0.000000   -0.000000   13.746672
   Si   O    H 
    32    64    10
Direct configuration=    94
   0.18366886  0.13348698  0.01127575
   0.41570918  0.08987369  0.37707050
   0.14466480  0.39754574  0.12530409
   0.39273634  0.33649639  0.25293279
   0.15551167  0.14939667  0.49442716
   0.41449824  0.10947101  0.87949239
   0.09396604  0.39403972  0.62019147
   0.34047215  0.36091436  0.75569604
   0.14732335  0.65825386  0.00368338
   0.41185616  0.57828842  0.37600145
   0.11878679  0.89875003  0.15788435
   0.37932758  0.83536735  0.26238366
   0.14141118  0.64108993  0.48617317
   0.40052951  0.61668224  0.87707291
   0.07458649  0.89221876  0.61339615
   0.33922483  0.91414725  0.72293935
   0.66015950  0.16144544  0.99853730
   0.90426545  0.08667250  0.38690648
   0.64463919  0.41258142  0.11364809
   0.88436722  0.26280334  0.20150720
   0.65930138  0.15711429  0.52249723
   0.91214978  0.08763466  0.90511563
   0.60029944  0.41699479  0.63724989
   0.79798020  0.33472193  0.77693794
   0.64985797  0.67711668  0.00089236
   0.88403415  0.61753419  0.38189214
   0.61302594  0.92539622  0.12715940
   0.84347472  0.84611433  0.26619964
   0.64426820  0.66598003  0.49364282
   0.90822537  0.59952074  0.88164691
   0.63103199  0.90087198  0.65445491
   0.86051091  0.85136316  0.76966069
   0.13850299  0.04588650  0.10862290
   0.38488853  0.17008964  0.27988934
   0.18448029  0.29276437  0.04263471
   0.40191282  0.41720777  0.35738766
   0.52921915  0.35078630  0.18462071
   0.27425215  0.40716668  0.19288103
   0.30655641  0.08894634  0.47001805
   0.06784524  0.13346988  0.39915437
   0.09046829  0.05567798  0.59244963
   0.35303631  0.20201923  0.79194465
   0.14912948  0.29422031  0.53894009
   0.37233139  0.46024238  0.84902841
   0.45635197  0.36887337  0.67198341
   0.19913157  0.39795330  0.71482417
   0.34524044  0.11470528 -0.01501893
   0.05275327  0.14349613  0.93917788
   0.11973279  0.54616362  0.08207070
   0.37625492  0.67475976  0.28532092
   0.14135833  0.79650192  0.06547626
   0.44157697  0.93873384  0.34379382
   0.46624282  0.85178046  0.16221657
   0.22079475  0.87439061  0.23940771
   0.29728286  0.63552964  0.45789380
   0.05081904  0.61646960  0.38941615
   0.10833583  0.54659169  0.57436670
   0.33967631  0.69348057  0.78245674
   0.09409224  0.79581001  0.52219190
   0.38998239  0.95623248  0.83743693
   0.47549856  0.85447404  0.67346028
   0.19936814  0.83574733  0.67735940
   0.31049199  0.66858724 -0.02854748
   0.06425900  0.65862740  0.90220577
   0.59426030  0.08241100  0.09317612
   0.85244447  0.18963765  0.30512927
   0.67248191  0.32635781  0.01649137
   0.85480853  0.46306715  0.36068179
   0.03645666  0.31784300  0.19948465
   0.78001716  0.38820471  0.18570225
   0.81838737  0.13529203  0.48729380
   0.55307816  0.15070729  0.43163200
   0.63107805  0.05868141  0.61692124
   0.86361200  0.19641256  0.82567917
   0.67372878  0.30463278  0.57415682
   0.89375738  0.44637137  0.83915936
   0.93725334  0.34244908  0.64943295
   0.69636030  0.47377285  0.72920536
   0.80893439  0.08680296  0.99378734
   0.56711951  0.14344779  0.90374245
   0.63210888  0.56683986  0.09085101
   0.80257154  0.69251545  0.29309278
   0.66578991  0.83050886  0.04161272
   0.88145201  0.92694513  0.36659802
   0.96675772  0.84623612  0.18763377
   0.70659868  0.91955416  0.22586263
   0.80883325  0.64984340  0.48554102
   0.57242244  0.59958729  0.39496373
   0.58771090  0.55219426  0.56764553
   0.86486808  0.68815845  0.77811886
   0.59245091  0.82586057  0.47175680
   0.93846692  0.93291604  0.85744835
   0.92143106  0.87034646  0.65362574
   0.71520974  0.91911802  0.76330889
   0.82052342  0.64839042  0.96550079
   0.55609101  0.65720448  0.90514084
   0.69916309  0.79924468  0.59393117
   0.64682155  0.89182242  0.42190248
   0.85356047  0.17216298  0.12578081
   0.83863031  0.43173877  0.29281225
   0.35146399  0.06182507  0.69282279
   0.24224295  0.70984186  0.77720146
   0.09616250  1.07038839  0.24653874
   0.15559455  0.97122600 -0.02576632
   0.68621217  0.21307634  0.75672907
   0.90126330  0.31931407  0.58565756
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921020   -0.200150   -0.048202
    -0.000000    9.950392   -0.043125
    -0.000000   -0.000000   13.745938
   Si   O    H 
    32    64    10
Direct configuration=    95
   0.18425474  0.13306097  0.01111579
   0.41480482  0.09098537  0.37720587
   0.14589113  0.39671418  0.12584655
   0.39363132  0.33694334  0.25219835
   0.15623789  0.14819913  0.49479127
   0.41495910  0.10948548  0.87930232
   0.09369114  0.39277418  0.62088310
   0.34066520  0.36157263  0.75524929
   0.14769270  0.65827816  0.00251116
   0.41234655  0.57835740  0.37598999
   0.11877384  0.89910068  0.15760869
   0.37857133  0.83607194  0.26143415
   0.14244147  0.64123436  0.48635651
   0.39906266  0.61727726  0.87716087
   0.07507100  0.89182041  0.61293148
   0.34096803  0.91480580  0.72174646
   0.66013129  0.16048532  0.99929010
   0.90461717  0.08661351  0.38602512
   0.64559458  0.41376678  0.11361374
   0.88489696  0.26252470  0.20175575
   0.65895579  0.15684302  0.52307597
   0.91266202  0.08882413  0.90509461
   0.59937945  0.41728780  0.63724056
   0.79712756  0.33558591  0.77739656
   0.64989518  0.67640762  0.00184280
   0.88386576  0.61696610  0.38221193
   0.61365523  0.92626592  0.12807030
   0.84442190  0.84622287  0.26498817
   0.64369634  0.66753544  0.49310170
   0.90755417  0.60145197  0.88139524
   0.63002036  0.90113922  0.65366138
   0.86144058  0.85061322  0.76929726
   0.13863808  0.04641940  0.10895057
   0.38765246  0.17164909  0.27992933
   0.18466229  0.29345875  0.04180635
   0.40227274  0.41735962  0.35673905
   0.52980488  0.35002323  0.18600603
   0.27443633  0.40691903  0.19419542
   0.30701519  0.09007599  0.46933832
   0.06594144  0.13424273  0.39775310
   0.09155986  0.05375697  0.59183327
   0.35458237  0.20121140  0.79039268
   0.14818177  0.29512494  0.53931070
   0.37106654  0.46024086  0.84906690
   0.45673127  0.36781189  0.67106045
   0.20025485  0.39677791  0.71518778
   0.34414987  0.11469211 -0.01522727
   0.05299647  0.14312612  0.93895836
   0.11979795  0.54726531  0.08146141
   0.37780271  0.67570339  0.28650996
   0.14082019  0.79953084  0.06534800
   0.43938040  0.93965143  0.34481026
   0.46713004  0.85105237  0.16084805
   0.22190219  0.87363180  0.23974236
   0.29940171  0.63484784  0.45618045
   0.05255965  0.61616521  0.39011498
   0.10776776  0.54498049  0.57421721
   0.33731318  0.69480933  0.78327246
   0.09418743  0.79545252  0.52301528
   0.38961211  0.95678138  0.83676563
   0.47592537  0.85412752  0.67340373
   0.19895729  0.83613568  0.67776563
   0.31117655  0.66906814 -0.02811614
   0.06464596  0.65785550  0.90119712
   0.59372201  0.08347463  0.09338950
   0.85175604  0.19061368  0.30520815
   0.67156955  0.32625776  0.01729689
   0.85398897  0.46271392  0.36080156
   0.03526753  0.31954051  0.20007256
   0.77995714  0.38845603  0.18544150
   0.81849254  0.13625417  0.48867895
   0.55512155  0.15147857  0.43118799
   0.63162166  0.05850707  0.61726116
   0.86495604  0.19770575  0.82463135
   0.67260272  0.30551322  0.57295988
   0.89315628  0.44653246  0.83965878
   0.93706152  0.34503394  0.64973880
   0.69586900  0.47249501  0.72955081
   0.80938293  0.08881543  0.99406120
   0.56793199  0.14263106  0.90268603
   0.63207834  0.56917870  0.08992380
   0.80046305  0.69266861  0.29328959
   0.66453813  0.83145345  0.04273406
   0.88188635  0.92826663  0.36750653
   0.96563780  0.84608307  0.18686476
   0.70697655  0.91788516  0.22540472
   0.81079231  0.64876612  0.48463602
   0.57120985  0.59892552  0.39523090
   0.58905575  0.55161403  0.56863012
   0.86479643  0.68675567  0.77953997
   0.59096476  0.82770730  0.47045404
   0.93896370  0.93129494  0.85542540
   0.92288026  0.87002090  0.65353793
   0.71547484  0.91781246  0.76206191
   0.81894553  0.64774009  0.96667844
   0.55664068  0.65797570  0.90470520
   0.69904582  0.79962353  0.59482222
   0.64023055  0.88131209  0.42789868
   0.85551862  0.16637511  0.12385952
   0.82582727  0.43811481  0.29474301
   0.36085754  0.05647583  0.68975201
   0.24202124  0.70952743  0.77862516
   0.10067322  1.06751173  0.24791064
   0.15628237  0.96809186 -0.01805500
   0.68147489  0.21300518  0.75933570
   0.89039938  0.31008488  0.58320339
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924817   -0.203919   -0.047337
    -0.000000    9.951589   -0.044041
    -0.000000   -0.000000   13.745369
   Si   O    H 
    32    64    10
Direct configuration=    96
   0.18482414  0.13307185  0.01073490
   0.41420039  0.09203512  0.37805228
   0.14714242  0.39606599  0.12629972
   0.39433325  0.33752892  0.25233639
   0.15663481  0.14708693  0.49560326
   0.41554930  0.10883037  0.87892302
   0.09339523  0.39146600  0.62162394
   0.34146119  0.36200532  0.75514936
   0.14847319  0.65815974  0.00138174
   0.41199063  0.57858480  0.37601282
   0.11886829  0.89953725  0.15712745
   0.37791837  0.83691678  0.26043478
   0.14331564  0.64177416  0.48603282
   0.39799103  0.61767166  0.87766160
   0.07571845  0.89160639  0.61259239
   0.34264772  0.91494643  0.72091736
   0.65989495  0.15924830  1.00045193
   0.90530025  0.08714364  0.38555912
   0.64630550  0.41497591  0.11380780
   0.88532287  0.26176750  0.20189694
   0.65872184  0.15646755  0.52384197
   0.91316936  0.08935619  0.90498052
   0.59967115  0.41772533  0.63733886
   0.79602774  0.33668832  0.77772493
   0.65049725  0.67573224  0.00227297
   0.88326847  0.61641509  0.38215790
   0.61443084  0.92699815  0.12946621
   0.84535691  0.84704410  0.26425068
   0.64306532  0.66896736  0.49327914
   0.90758379  0.60303947  0.88060994
   0.62965588  0.90135642  0.65293917
   0.86278394  0.84971221  0.76851549
   0.13783386  0.04666517  0.10939502
   0.39026291  0.17365836  0.27938185
   0.18478004  0.29334971  0.04109276
   0.40293604  0.41731609  0.35641558
   0.52979341  0.34903982  0.18721067
   0.27585718  0.40705064  0.19514324
   0.30694019  0.09185423  0.46872773
   0.06502409  0.13531655  0.39657901
   0.09299505  0.05237956  0.59128210
   0.35597660  0.20127279  0.78879292
   0.14730122  0.29565472  0.53931536
   0.36978400  0.45903098  0.84896587
   0.45692519  0.36677436  0.67067831
   0.20014372  0.39487671  0.71565340
   0.34366864  0.11466379 -0.01577310
   0.05402914  0.14250713  0.93895621
   0.11966755  0.54749099  0.08163785
   0.37827291  0.67620341  0.28773779
   0.13994930  0.80310685  0.06550467
   0.43733948  0.93966921  0.34549430
   0.46869519  0.85070275  0.15975651
   0.22288062  0.87323268  0.23999917
   0.30168462  0.63337657  0.45488253
   0.05357494  0.61617490  0.39078635
   0.10632154  0.54249325  0.57406049
   0.33554861  0.69507592  0.78360582
   0.09476232  0.79497077  0.52358821
   0.38881762  0.95730657  0.83572848
   0.47585770  0.85348116  0.67286758
   0.19885715  0.83738137  0.67816385
   0.31118399  0.66941849 -0.02754798
   0.06478239  0.65704275  0.90081498
   0.59347926  0.08420589  0.09433504
   0.85185157  0.19135848  0.30500502
   0.67059673  0.32543428  0.01781706
   0.85357798  0.46173475  0.36109620
   0.03461648  0.32137011  0.20044708
   0.78029351  0.38857971  0.18532591
   0.81793987  0.13723056  0.48904392
   0.55712245  0.15169635  0.43082721
   0.63221034  0.05878444  0.61733356
   0.86596518  0.19797116  0.82372477
   0.67088562  0.30629844  0.57191099
   0.89220979  0.44625201  0.84030705
   0.93734063  0.34794754  0.64913086
   0.69524565  0.47069265  0.73048775
   0.81007726  0.08961424  0.99477874
   0.56891509  0.14202102  0.90151754
   0.63224420  0.57159088  0.08868644
   0.79888530  0.69220665  0.29382361
   0.66321147  0.83208976  0.04305034
   0.88279890  0.92962823  0.36832763
   0.96390782  0.84619997  0.18623675
   0.70723259  0.91605817  0.22504176
   0.81183974  0.64812277  0.48383265
   0.57078093  0.59889326  0.39527634
   0.58953754  0.55199542  0.56939319
   0.86471249  0.68567810  0.78135589
   0.58826332  0.82903117  0.46962570
   0.93854664  0.93037037  0.85330194
   0.92399899  0.86970371  0.65369326
   0.71493419  0.91535234  0.76095990
   0.81675271  0.64783904  0.96788948
   0.55741281  0.65799076  0.90410495
   0.69643431  0.79953697  0.59618477
   0.64171293  0.87779977  0.42812933
   0.85736220  0.16189904  0.12450512
   0.81255454  0.44086888  0.29313176
   0.36796676  0.04986061  0.68516851
   0.24048229  0.70928303  0.78017524
   0.10380471  1.06449854  0.24596064
   0.15924549  0.96399289 -0.01074456
   0.67929273  0.22098195  0.76260039
   0.88321066  0.30516219  0.58925703
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928324   -0.208047   -0.046900
    -0.000000    9.952331   -0.044738
    -0.000000   -0.000000   13.744811
   Si   O    H 
    32    64    10
Direct configuration=    97
   0.18573617  0.13277839  0.00985003
   0.41336015  0.09335373  0.37917387
   0.14825706  0.39580785  0.12679023
   0.39516148  0.33720268  0.25277307
   0.15671064  0.14499479  0.49601570
   0.41604814  0.10869660  0.87850092
   0.09275693  0.39071703  0.62228985
   0.34277914  0.36211383  0.75533198
   0.14888949  0.65855662  0.00039505
   0.41182664  0.57844877  0.37617481
   0.11864577  0.90018087  0.15681326
   0.37744196  0.83789485  0.25956726
   0.14420746  0.64208585  0.48629165
   0.39676587  0.61709184  0.87851828
   0.07618719  0.89088609  0.61225791
   0.34444218  0.91534021  0.72054321
   0.66011756  0.15788295  1.00127840
   0.90575234  0.08863686  0.38514638
   0.64681635  0.41625806  0.11393937
   0.88576344  0.26110129  0.20238884
   0.65926633  0.15628869  0.52446541
   0.91378812  0.09031440  0.90453681
   0.60009260  0.41907387  0.63732369
   0.79470675  0.33780639  0.77748435
   0.65180672  0.67483151  0.00263289
   0.88350546  0.61629738  0.38185209
   0.61420897  0.92749744  0.13058892
   0.84581795  0.84789916  0.26310853
   0.64222599  0.66969525  0.49353562
   0.90701330  0.60483439  0.87984765
   0.62914943  0.90219048  0.65281502
   0.86409324  0.84893217  0.76764836
   0.13730774  0.04700175  0.10996463
   0.39245437  0.17646453  0.27913321
   0.18452523  0.29391663  0.03977518
   0.40409251  0.41608957  0.35540182
   0.52993985  0.34845102  0.18763393
   0.27704628  0.40732013  0.19588013
   0.30720767  0.09306188  0.46803681
   0.06370419  0.13552801  0.39549289
   0.09458054  0.05135642  0.59016569
   0.35667063  0.20094250  0.78713993
   0.14659437  0.29616954  0.53855326
   0.36851022  0.45781484  0.84829868
   0.45617507  0.36675449  0.67078867
   0.20039573  0.39317480  0.71518800
   0.34285128  0.11472094 -0.01657321
   0.05626240  0.14175578  0.93908569
   0.11899203  0.54759744  0.08238040
   0.37819992  0.67705471  0.28811494
   0.13903703  0.80639613  0.06530754
   0.43561838  0.93968398  0.34629994
   0.46975780  0.85013561  0.15888215
   0.22393506  0.87206838  0.23973772
   0.30397841  0.63183653  0.45383958
   0.05412882  0.61657186  0.39165778
   0.10467064  0.53973864  0.57333757
   0.33406298  0.69575409  0.78423026
   0.09530897  0.79392874  0.52362721
   0.38778165  0.95798256  0.83504494
   0.47646969  0.85253208  0.67243058
   0.19907531  0.83880177  0.67912937
   0.31122729  0.66912709 -0.02695566
   0.06457549  0.65609166  0.90122212
   0.59334218  0.08483953  0.09497539
   0.85183456  0.19235217  0.30513513
   0.66942936  0.32395450  0.01757715
   0.85259697  0.46039692  0.36077236
   0.03406233  0.32314558  0.20074161
   0.78055051  0.38927245  0.18600534
   0.81753275  0.13739597  0.48916679
   0.55850041  0.15248744  0.43068913
   0.63281377  0.05913682  0.61752379
   0.86660591  0.19830017  0.82297131
   0.66840061  0.30736094  0.57075367
   0.89177342  0.44588554  0.84191755
   0.93706201  0.34998298  0.64804793
   0.69450858  0.46830720  0.73158974
   0.81112606  0.08954142  0.99591285
   0.57039507  0.14111217  0.90074042
   0.63243015  0.57398475  0.08727943
   0.79742846  0.69190965  0.29430143
   0.66132254  0.83311718  0.04394783
   0.88306291  0.92971374  0.36868998
   0.96250331  0.84672120  0.18588856
   0.70773576  0.91452649  0.22488562
   0.81170185  0.64788584  0.48274575
   0.57070639  0.59966357  0.39553078
   0.59032601  0.55198206  0.57021462
   0.86454064  0.68518604  0.78321009
   0.58479494  0.82941222  0.46956556
   0.93857635  0.92976373  0.85173067
   0.92534520  0.86904451  0.65390988
   0.71449184  0.91271833  0.75975683
   0.81376104  0.64792905  0.96892216
   0.55755184  0.65827652  0.90338369
   0.69146839  0.79669528  0.59543873
   0.64799659  0.88209152  0.42386525
   0.85915672  0.16094416  0.12651033
   0.80138910  0.44281567  0.29566665
   0.37564959  0.04703329  0.68098791
   0.23339864  0.70650677  0.77900646
   0.10172167  1.06228866  0.24470850
   0.16267923  0.96160977 -0.00767046
   0.68128859  0.23380469  0.76499008
   0.88503641  0.30726244  0.60039567
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931922   -0.212007   -0.045990
    -0.000000    9.952985   -0.045612
    -0.000000    0.000000   13.744107
   Si   O    H 
    32    64    10
Direct configuration=    98
   0.18642569  0.13200998  0.00920747
   0.41323859  0.09452774  0.38026500
   0.14905996  0.39584062  0.12741882
   0.39586660  0.33748761  0.25383350
   0.15607147  0.14233174  0.49629645
   0.41623102  0.10892593  0.87806703
   0.09230643  0.38955886  0.62270927
   0.34429704  0.36226650  0.75543155
   0.14941421  0.65936160 -0.00024923
   0.41118352  0.57852143  0.37629074
   0.11799262  0.90091717  0.15633023
   0.37772124  0.83853160  0.25833138
   0.14566192  0.64307910  0.48668605
   0.39609835  0.61656193  0.87938254
   0.07685340  0.89060461  0.61238127
   0.34618380  0.91573538  0.72040834
   0.66012112  0.15632802  1.00243451
   0.90607139  0.09010347  0.38553286
   0.64691192  0.41654556  0.11411068
   0.88625258  0.26033507  0.20276212
   0.66031839  0.15664136  0.52479763
   0.91425903  0.09038215  0.90367908
   0.60073743  0.42017241  0.63710579
   0.79376730  0.33876994  0.77730131
   0.65322623  0.67470677  0.00263267
   0.88289651  0.61604023  0.38164553
   0.61346911  0.92761579  0.13134256
   0.84554247  0.84822132  0.26206819
   0.64170608  0.67069196  0.49376573
   0.90646703  0.60673499  0.87938263
   0.62904576  0.90300142  0.65259708
   0.86500289  0.84756151  0.76649552
   0.13727753  0.04737888  0.11115135
   0.39545309  0.17952410  0.27799034
   0.18497920  0.29470056  0.03846360
   0.40393504  0.41435845  0.35492543
   0.53124156  0.34827045  0.18706696
   0.27872923  0.40806663  0.19644862
   0.30629313  0.09455046  0.46757555
   0.06331751  0.13627782  0.39496754
   0.09629332  0.05063859  0.58807327
   0.35684271  0.20025753  0.78592208
   0.14632659  0.29643410  0.53743281
   0.36877159  0.45734654  0.84814005
   0.45487033  0.36635750  0.67124735
   0.19999380  0.39153147  0.71474578
   0.34261556  0.11524230 -0.01748573
   0.05765180  0.14122231  0.93854855
   0.11844568  0.54760473  0.08323227
   0.37752132  0.67828661  0.28739771
   0.13858264  0.80865539  0.06466003
   0.43341705  0.93870863  0.34715641
   0.47045321  0.85091147  0.15806251
   0.22509898  0.87063251  0.24031202
   0.30642320  0.63078046  0.45284242
   0.05407382  0.61688603  0.39210318
   0.10326275  0.53741674  0.57284829
   0.33223024  0.69613212  0.78499567
   0.09637034  0.79248254  0.52311702
   0.38622646  0.95937479  0.83477366
   0.47818211  0.85132224  0.67215091
   0.19912441  0.83987746  0.68019643
   0.31162662  0.66807960 -0.02634071
   0.06434179  0.65410510  0.90160305
   0.59318313  0.08493840  0.09599329
   0.85099331  0.19329126  0.30552536
   0.66836846  0.32312168  0.01763385
   0.85144800  0.45877458  0.35987559
   0.03480512  0.32527770  0.20063431
   0.78138901  0.38999395  0.18726043
   0.81714115  0.13730727  0.48879656
   0.55956374  0.15308772  0.43025872
   0.63313540  0.05908261  0.61759759
   0.86742154  0.19869926  0.82244796
   0.66630773  0.30801588  0.57002021
   0.89139485  0.44612176  0.84403578
   0.93717612  0.35207597  0.64731846
   0.69359038  0.46502434  0.73224847
   0.81196208  0.08916931  0.99687895
   0.57249796  0.14035197  0.90008967
   0.63218173  0.57589874  0.08663136
   0.79728575  0.69216714  0.29483383
   0.65968521  0.83506755  0.04445768
   0.88311527  0.92884383  0.36867943
   0.96112784  0.84705460  0.18543923
   0.70849400  0.91378717  0.22501030
   0.81120533  0.64872360  0.48176527
   0.57036331  0.59996539  0.39543622
   0.59131089  0.55217993  0.57111233
   0.86461333  0.68604850  0.78480510
   0.58262251  0.82986370  0.46898806
   0.93855878  0.93036112  0.85086242
   0.92583390  0.86847976  0.65423282
   0.71412862  0.91000007  0.75880094
   0.81017885  0.64795314  0.97042434
   0.55745751  0.65837039  0.90334832
   0.68781420  0.79433057  0.59425202
   0.65421618  0.88264160  0.42068697
   0.85870487  0.16287558  0.12912962
   0.79090240  0.44139981  0.30477359
   0.37825727  0.04816647  0.67479859
   0.23415560  0.70073763  0.77939470
   0.10073582  1.06385222  0.24351050
   0.16705452  0.95994797 -0.00858748
   0.68129546  0.24801875  0.76692183
   0.88312562  0.30506160  0.60447651
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935100   -0.215830   -0.044869
    -0.000000    9.953495   -0.047397
    -0.000000    0.000000   13.744052
   Si   O    H 
    32    64    10
Direct configuration=    99
   0.18740344  0.13186951  0.00925627
   0.41372849  0.09576492  0.38124083
   0.14911774  0.39613294  0.12773586
   0.39687083  0.33735546  0.25417123
   0.15548920  0.14020132  0.49665503
   0.41603732  0.10931329  0.87781144
   0.09247583  0.38873864  0.62282595
   0.34549602  0.36226455  0.75554059
   0.15006307  0.66028462 -0.00008813
   0.41034895  0.57848118  0.37567996
   0.11661539  0.90173742  0.15608369
   0.37825222  0.83880172  0.25734840
   0.14707862  0.64399045  0.48761571
   0.39544532  0.61636288  0.88029144
   0.07681293  0.88998258  0.61260961
   0.34773884  0.91553931  0.72038145
   0.66031653  0.15541680  1.00327967
   0.90612195  0.09159555  0.38587894
   0.64748831  0.41704630  0.11437153
   0.88710548  0.26028364  0.20294943
   0.66123435  0.15757483  0.52503667
   0.91442454  0.08993347  0.90268458
   0.60215193  0.42112962  0.63676759
   0.79317489  0.33997496  0.77744142
   0.65466224  0.67540494  0.00232960
   0.88273876  0.61494819  0.38137488
   0.61269828  0.92774865  0.13248776
   0.84527993  0.84880792  0.26169892
   0.64156500  0.67118470  0.49402536
   0.90518042  0.60775172  0.87915252
   0.62941899  0.90369688  0.65251769
   0.86650687  0.84607672  0.76546311
   0.13833989  0.04880005  0.11249963
   0.39690373  0.18209483  0.27756029
   0.18557976  0.29555557  0.03765214
   0.40325359  0.41324416  0.35466932
   0.53284189  0.34855899  0.18641385
   0.28022168  0.40971851  0.19673693
   0.30453014  0.09546049  0.46748878
   0.06304332  0.13631966  0.39500094
   0.09849113  0.04925737  0.58552008
   0.35747813  0.20013304  0.78480068
   0.14675355  0.29628061  0.53625341
   0.36909808  0.45658183  0.84785528
   0.45399509  0.36589505  0.67141798
   0.19891504  0.38975107  0.71423395
   0.34222084  0.11572200 -0.01827429
   0.05927794  0.14112047  0.93788504
   0.11780008  0.54680976  0.08484133
   0.37764599  0.67957624  0.28668103
   0.13802367  0.80966086  0.06318421
   0.43078836  0.93783479  0.34756360
   0.47038729  0.85194274  0.15743806
   0.22539537  0.87026053  0.24107500
   0.30800846  0.63021408  0.45235178
   0.05427587  0.61617418  0.39285415
   0.10119013  0.53521981  0.57196983
   0.33049411  0.69670806  0.78570899
   0.09688142  0.79133577  0.52206137
   0.38476846  0.96163326  0.83474309
   0.47964924  0.84981511  0.67180279
   0.19950203  0.84026703  0.68176209
   0.31262660  0.66797611 -0.02663590
   0.06401619  0.65203156  0.90141123
   0.59334950  0.08452287  0.09699200
   0.85057467  0.19353320  0.30606115
   0.66699912  0.32160477  0.01784890
   0.85107905  0.45663241  0.35892947
   0.03600051  0.32658383  0.20083136
   0.78207759  0.39175681  0.18804093
   0.81699229  0.13690714  0.48836354
   0.56006639  0.15285823  0.42929044
   0.63313336  0.05911826  0.61752318
   0.86802349  0.19955465  0.82238492
   0.66412869  0.30803445  0.56910765
   0.89114593  0.44647656  0.84681543
   0.93691228  0.35504959  0.64718958
   0.69298891  0.46181555  0.73273121
   0.81228688  0.08872728  0.99803304
   0.57464450  0.13949616  0.89998319
   0.63135374  0.57697006  0.08637562
   0.79787185  0.69216088  0.29515846
   0.65877635  0.83560874  0.04473848
   0.88360285  0.92832114  0.36808291
   0.95959627  0.84758830  0.18494321
   0.70998109  0.91370547  0.22488621
   0.81073705  0.65053891  0.48108098
   0.56983215  0.60022870  0.39518587
   0.59163764  0.55267882  0.57219790
   0.86365981  0.68720975  0.78564700
   0.58072234  0.83017018  0.46755913
   0.93903546  0.93211459  0.85086413
   0.92575121  0.86849643  0.65478016
   0.71435749  0.90801137  0.75824565
   0.80671574  0.64768522  0.97227574
   0.55692752  0.65778652  0.90314595
   0.68352585  0.78953540  0.59193894
   0.65370373  0.87871739  0.42141985
   0.85495429  0.16445597  0.13152714
   0.77808965  0.43819238  0.31467164
   0.37875479  0.04995942  0.67076489
   0.23786239  0.69792009  0.77830488
   0.09780044  1.06826335  0.24324381
   0.17433047  0.95955597 -0.01369472
   0.67473219  0.25311061  0.76717475
   0.87321969  0.29659767  0.60116144
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938682   -0.219171   -0.044273
    -0.000000    9.953694   -0.049195
    -0.000000    0.000000   13.744067
   Si   O    H 
    32    64    10
Direct configuration=   100
   0.18847998  0.13180996  0.00985579
   0.41449374  0.09686686  0.38240817
   0.14910832  0.39650194  0.12773545
   0.39832699  0.33812959  0.25374420
   0.15474817  0.13863065  0.49642210
   0.41599718  0.10922925  0.87719120
   0.09305127  0.38783606  0.62281081
   0.34668416  0.36188219  0.75583348
   0.15145814  0.66160133  0.00043036
   0.40996496  0.57770083  0.37484082
   0.11499176  0.90282640  0.15589300
   0.37900943  0.83835731  0.25669405
   0.14817980  0.64431380  0.48828232
   0.39447525  0.61642940  0.88089197
   0.07651437  0.88925215  0.61255729
   0.34876829  0.91541052  0.72019792
   0.66000487  0.15427164  1.00442144
   0.90655266  0.09240250  0.38612846
   0.64818144  0.41692792  0.11439104
   0.88807895  0.26075367  0.20331380
   0.66165876  0.15842315  0.52515157
   0.91528771  0.08934844  0.90189611
   0.60272233  0.42216878  0.63655625
   0.79331175  0.34153664  0.77766813
   0.65579000  0.67698594  0.00158059
   0.88310654  0.61305148  0.38097675
   0.61225028  0.92715765  0.13325012
   0.84526956  0.84963671  0.26213708
   0.64151291  0.67162310  0.49450160
   0.90383078  0.60856519  0.87885443
   0.63013151  0.90390310  0.65230075
   0.86756161  0.84487894  0.76397280
   0.13885840  0.05020950  0.11311739
   0.39758702  0.18306602  0.27732104
   0.18701014  0.29750735  0.03645186
   0.40224928  0.41267508  0.35471371
   0.53412441  0.34900091  0.18599213
   0.28166308  0.41059927  0.19707545
   0.30270397  0.09639321  0.46745967
   0.06281840  0.13576086  0.39543426
   0.09986542  0.04760940  0.58306784
   0.35895162  0.19948619  0.78421519
   0.14727375  0.29639951  0.53499782
   0.36925616  0.45658020  0.84781484
   0.45326241  0.36566300  0.67128744
   0.19728383  0.38801065  0.71364487
   0.34284570  0.11615674 -0.01875081
   0.06052749  0.14064965  0.93733668
   0.11719958  0.54595878  0.08591510
   0.37822448  0.67957898  0.28580809
   0.13787205  0.81055396  0.06102183
   0.42876432  0.93629012  0.34745452
   0.46993360  0.85286649  0.15765709
   0.22436694  0.87009444  0.24149314
   0.30830265  0.62993366  0.45258175
   0.05354879  0.61588682  0.39326742
   0.09847430  0.53393577  0.57149052
   0.33019432  0.69752360  0.78677266
   0.09771548  0.78999964  0.52140556
   0.38419938  0.96307651  0.83420022
   0.48072004  0.84735701  0.67125029
   0.20029079  0.84065746  0.68352435
   0.31257443  0.66674125 -0.02638947
   0.06337663  0.65043608  0.90093486
   0.59348027  0.08459226  0.09817027
   0.85129662  0.19300480  0.30602046
   0.66552050  0.32021865  0.01757803
   0.85133970  0.45389010  0.35830125
   0.03677037  0.32788365  0.20108498
   0.78267709  0.39281008  0.18841103
   0.81689797  0.13569512  0.48734745
   0.55981214  0.15280770  0.42798895
   0.63311673  0.05923327  0.61802023
   0.86787975  0.19992227  0.82302879
   0.66270198  0.30757358  0.56796437
   0.89053986  0.44788562  0.84935425
   0.93563958  0.35731213  0.64760918
   0.69248937  0.45824932  0.73263987
   0.81288209  0.08981780  0.99846526
   0.57623135  0.13911338  0.89987543
   0.63038674  0.57654591  0.08700872
   0.79934757  0.69301517  0.29556424
   0.65870058  0.83559849  0.04470878
   0.88358360  0.92844255  0.36660577
   0.95922820  0.84894116  0.18463983
   0.71095438  0.91375504  0.22440193
   0.81013726  0.65240945  0.48075140
   0.56888149  0.60050719  0.39493533
   0.59210863  0.55407580  0.57273463
   0.86220425  0.68878660  0.78571536
   0.57844613  0.82966554  0.46596968
   0.93928312  0.93369165  0.85114693
   0.92569982  0.86817798  0.65553871
   0.71473095  0.90636474  0.75776557
   0.80371476  0.64742588  0.97404403
   0.55631358  0.65679565  0.90308520
   0.67932175  0.78679538  0.58860898
   0.64993854  0.87213301  0.42730213
   0.85227288  0.15920500  0.13008171
   0.76237983  0.43595109  0.32024221
   0.37608865  0.05255695  0.66900965
   0.23170609  0.69278508  0.77628701
   0.09286668  1.07400884  0.24302132
   0.18138202  0.96002652 -0.02012164
   0.66499622  0.25133313  0.76688069
   0.87259372  0.29177140  0.60226668
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942523   -0.222137   -0.043717
    -0.000000    9.953595   -0.050471
    -0.000000   -0.000000   13.744128
   Si   O    H 
    32    64    10
Direct configuration=   101
   0.18894643  0.13106516  0.01038480
   0.41638101  0.09743993  0.38294541
   0.14922151  0.39649592  0.12778056
   0.40107581  0.33933731  0.25256709
   0.15411733  0.13756091  0.49609222
   0.41582948  0.10976300  0.87650902
   0.09403948  0.38694930  0.62281286
   0.34795771  0.36126529  0.75586529
   0.15310924  0.66329699  0.00114587
   0.40973457  0.57701185  0.37367609
   0.11322317  0.90414726  0.15618014
   0.38033985  0.83776835  0.25626781
   0.14851366  0.64397290  0.48880190
   0.39325969  0.61665816  0.88150908
   0.07641605  0.88845569  0.61265108
   0.34961813  0.91573994  0.72029834
   0.65927311  0.15306005  1.00546006
   0.90698934  0.09331025  0.38661154
   0.64850800  0.41625261  0.11436898
   0.88905816  0.26157985  0.20379517
   0.66212202  0.15881599  0.52462575
   0.91538908  0.08871101  0.90134702
   0.60364885  0.42289707  0.63634486
   0.79388899  0.34283393  0.77811472
   0.65607223  0.67854334  0.00038862
   0.88366750  0.61153934  0.38080996
   0.61171966  0.92647975  0.13396383
   0.84504789  0.85020967  0.26331419
   0.64133713  0.67142312  0.49519252
   0.90236196  0.60885996  0.87887938
   0.63184512  0.90350744  0.65197907
   0.86848163  0.84462015  0.76240573
   0.13997821  0.05132779  0.11359571
   0.39731653  0.18304845  0.27680252
   0.18837097  0.29891506  0.03604427
   0.40115388  0.41265066  0.35568741
   0.53537277  0.34998714  0.18587848
   0.28332713  0.41086660  0.19712776
   0.30105371  0.09654214  0.46719803
   0.06207244  0.13530320  0.39608310
   0.10197475  0.04612224  0.58106069
   0.35979310  0.19809379  0.78464319
   0.14671685  0.29622194  0.53333323
   0.37020827  0.45659254  0.84753882
   0.45353586  0.36518545  0.67110480
   0.19503561  0.38661441  0.71296401
   0.34382301  0.11522097 -0.01940901
   0.06184877  0.14106309  0.93686667
   0.11651592  0.54534938  0.08679564
   0.37930077  0.67995026  0.28551051
   0.13839646  0.81114495  0.05843220
   0.42720132  0.93486714  0.34787970
   0.46958797  0.85334264  0.15815591
   0.22290045  0.87009021  0.24228284
   0.30728726  0.62912989  0.45305556
   0.05197834  0.61572412  0.39278069
   0.09641419  0.53333920  0.57103573
   0.33010059  0.69897655  0.78735944
   0.09902859  0.78905668  0.52044879
   0.38409450  0.96397525  0.83390650
   0.48106444  0.84508983  0.67101318
   0.20099666  0.84049456  0.68559076
   0.31211019  0.66534092 -0.02636276
   0.06195156  0.64907256  0.90019826
   0.59336804  0.08499105  0.09958315
   0.85173032  0.19312532  0.30667022
   0.66404411  0.31924959  0.01698885
   0.85042428  0.45075945  0.35683984
   0.03788799  0.32848049  0.20134607
   0.78285034  0.39425881  0.18845638
   0.81743578  0.13378316  0.48605732
   0.55897371  0.15312773  0.42700700
   0.63281336  0.05982751  0.61868474
   0.86808158  0.20036909  0.82377532
   0.66156724  0.30767408  0.56743619
   0.88998768  0.44893495  0.85195121
   0.93411674  0.35919506  0.64731604
   0.69253414  0.45466251  0.73258434
   0.81281857  0.09068820  0.99814470
   0.57766479  0.13842756  0.89993929
   0.62869372  0.57539649  0.08866805
   0.80109600  0.69410942  0.29608856
   0.65896307  0.83473611  0.04489873
   0.88336511  0.92916260  0.36511303
   0.95942275  0.85031561  0.18381486
   0.71167114  0.91327726  0.22437047
   0.80994012  0.65383233  0.48088431
   0.56785671  0.60108970  0.39427939
   0.59332017  0.55590733  0.57348210
   0.86054896  0.69054321  0.78494969
   0.57631165  0.82818651  0.46427727
   0.93882515  0.93583841  0.85174757
   0.92688943  0.86693761  0.65614091
   0.71567922  0.90409471  0.75756080
   0.80215877  0.64675998  0.97533117
   0.55578218  0.65498685  0.90309067
   0.67457108  0.78468366  0.58595733
   0.64599985  0.86992838  0.43548309
   0.85077024  0.15414627  0.12833070
   0.75789481  0.43765413  0.32385909
   0.37206757  0.05304609  0.66867415
   0.22668372  0.69052558  0.77442476
   0.08510479  1.07500141  0.23993025
   0.18606508  0.96454108 -0.02600871
   0.65946567  0.24762254  0.76584201
   0.87862770  0.29561670  0.60774396
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946301   -0.225345   -0.042915
    -0.000000    9.953528   -0.051732
    -0.000000   -0.000000   13.744048
   Si   O    H 
    32    64    10
Direct configuration=   102
   0.18899255  0.13029154  0.01082158
   0.41807271  0.09830269  0.38324025
   0.14943580  0.39629271  0.12700577
   0.40401034  0.34020683  0.25122345
   0.15335230  0.13779225  0.49612345
   0.41608866  0.11021174  0.87547040
   0.09513346  0.38613645  0.62232291
   0.34915750  0.36077041  0.75607187
   0.15400996  0.66522989  0.00198289
   0.40975171  0.57579546  0.37281549
   0.11109813  0.90517285  0.15636075
   0.38164717  0.83706654  0.25570846
   0.14897194  0.64325855  0.48881169
   0.39251372  0.61690723  0.88172474
   0.07634755  0.88750456  0.61257491
   0.35020018  0.91611926  0.72032254
   0.65898993  0.15224013  1.00661938
   0.90717975  0.09479016  0.38709041
   0.64895825  0.41582063  0.11425482
   0.89063537  0.26270891  0.20451062
   0.66246420  0.15881847  0.52424650
   0.91549110  0.08779562  0.90056446
   0.60378318  0.42331874  0.63625440
   0.79429336  0.34375919  0.77891722
   0.65602939  0.68091446 -0.00040978
   0.88439684  0.61013889  0.38022913
   0.61164647  0.92626754  0.13437308
   0.84460674  0.85059150  0.26427794
   0.64056649  0.67150537  0.49531432
   0.90111357  0.60877742  0.87903657
   0.63315425  0.90339964  0.65200001
   0.86911995  0.84552613  0.76089999
   0.14136871  0.05209909  0.11423475
   0.39641704  0.18244894  0.27666989
   0.18884682  0.29956592  0.03619188
   0.40107609  0.41271407  0.35644728
   0.53625273  0.35093187  0.18579962
   0.28441508  0.41119338  0.19723731
   0.30039400  0.09616489  0.46684359
   0.06093943  0.13522752  0.39681618
   0.10336378  0.04452124  0.57930660
   0.36018143  0.19820454  0.78554072
   0.14569834  0.29595521  0.53125216
   0.37173775  0.45618011  0.84729945
   0.45356571  0.36566209  0.67020215
   0.19246454  0.38521479  0.71263444
   0.34497884  0.11358570 -0.01962515
   0.06297562  0.14187033  0.93621123
   0.11634820  0.54484632  0.08798662
   0.37988721  0.68015764  0.28507183
   0.13835953  0.81125558  0.05628699
   0.42563273  0.93415672  0.34798909
   0.46889852  0.85436873  0.15903346
   0.22101282  0.86935328  0.24249921
   0.30542418  0.62919455  0.45301756
   0.05082489  0.61619556  0.39184025
   0.09406451  0.53294897  0.57121473
   0.33005172  0.69919293  0.78728822
   0.10034303  0.78813603  0.51887037
   0.38332413  0.96386112  0.83349730
   0.48154123  0.84294054  0.67051343
   0.20216895  0.84063160  0.68772223
   0.31122493  0.66410708 -0.02614555
   0.05982026  0.64785221  0.89993523
   0.59362272  0.08480563  0.10130349
   0.85225985  0.19259905  0.30756449
   0.66345239  0.31851546  0.01608200
   0.84886325  0.44787984  0.35543670
   0.03928807  0.32864854  0.20145231
   0.78302406  0.39583830  0.18802371
   0.81756987  0.13110991  0.48498907
   0.55865396  0.15325758  0.42595764
   0.63223517  0.06072624  0.61853141
   0.86858996  0.20072054  0.82485730
   0.66057535  0.30769034  0.56737173
   0.88951933  0.44941373  0.85401591
   0.93274517  0.36049370  0.64683307
   0.69309713  0.45122788  0.73189803
   0.81267899  0.09092081  0.99738248
   0.57966771  0.13813918  0.90078110
   0.62728672  0.57436533  0.09065000
   0.80284622  0.69582440  0.29620392
   0.65995093  0.83367842  0.04455403
   0.88320763  0.92974826  0.36347111
   0.96066932  0.85188376  0.18295385
   0.71200145  0.91227078  0.22416301
   0.80919019  0.65493962  0.48141270
   0.56635345  0.60134150  0.39364224
   0.59427633  0.55725532  0.57430398
   0.85856667  0.69237271  0.78465902
   0.57406261  0.82648201  0.46403695
   0.93734199  0.93791214  0.85238296
   0.92743288  0.86595109  0.65639397
   0.71677320  0.90168715  0.75716239
   0.80196776  0.64587923  0.97584606
   0.55467919  0.65374333  0.90278584
   0.67186513  0.78514440  0.58970220
   0.65679563  0.87865174  0.43710991
   0.85119107  0.15278046  0.13017987
   0.76340038  0.43926557  0.32754009
   0.36656029  0.05124162  0.66813615
   0.23119398  0.68937891  0.77506833
   0.07521903  1.07373696  0.23647276
   0.18688957  0.96807595 -0.02927238
   0.65956151  0.24401844  0.76577856
   0.88502739  0.29980691  0.61205378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950662   -0.227818   -0.042444
    -0.000000    9.953632   -0.053308
    -0.000000   -0.000000   13.744231
   Si   O    H 
    32    64    10
Direct configuration=   103
   0.18893376  0.12945390  0.01126511
   0.41934595  0.09913667  0.38347766
   0.15013243  0.39635591  0.12624983
   0.40708276  0.34046391  0.24993859
   0.15299124  0.13803378  0.49610306
   0.41671181  0.11093941  0.87523446
   0.09657000  0.38563905  0.62171695
   0.34991287  0.35927202  0.75606799
   0.15477308  0.66684864  0.00312724
   0.40954003  0.57460260  0.37224664
   0.10944985  0.90564417  0.15679830
   0.38229930  0.83643837  0.25577846
   0.14880644  0.64186680  0.48916632
   0.39120220  0.61684952  0.88168184
   0.07626476  0.88636903  0.61238273
   0.35087127  0.91603846  0.72064872
   0.65903732  0.15128573  1.00775145
   0.90733333  0.09581727  0.38827663
   0.65035712  0.41578427  0.11431986
   0.89132558  0.26384203  0.20504610
   0.66339559  0.15876734  0.52396570
   0.91555343  0.08614617  0.89963512
   0.60372669  0.42379844  0.63635323
   0.79538889  0.34431173  0.77989800
   0.65537002  0.68311813 -0.00097098
   0.88554630  0.60894127  0.37952736
   0.61147957  0.92587959  0.13463602
   0.84418146  0.85067520  0.26524100
   0.63982693  0.67206634  0.49568003
   0.90011354  0.60811389  0.87910184
   0.63423330  0.90267466  0.65198804
   0.86919911  0.84607173  0.75975933
   0.14236309  0.05326031  0.11446311
   0.39474115  0.18085644  0.27681422
   0.18991947  0.29976668  0.03654020
   0.40139342  0.41341220  0.35720433
   0.53699620  0.35200575  0.18575631
   0.28479024  0.41247511  0.19719202
   0.30067943  0.09572032  0.46677759
   0.05937189  0.13501751  0.39823086
   0.10469358  0.04138519  0.57818403
   0.35975019  0.19848665  0.78608002
   0.14492047  0.29441350  0.52895407
   0.37272074  0.45588858  0.84730921
   0.45421765  0.36607988  0.66922690
   0.19058448  0.38371682  0.71279430
   0.34640699  0.11278581 -0.01949676
   0.06391057  0.14288581  0.93600935
   0.11568459  0.54489714  0.08877231
   0.38010603  0.68056926  0.28383451
   0.13775106  0.81074613  0.05441326
   0.42380920  0.93395363  0.34795870
   0.46761415  0.85438672  0.15972027
   0.21862601  0.86812241  0.24277552
   0.30287740  0.62858785  0.45306925
   0.04928299  0.61755320  0.39096570
   0.09259905  0.53276254  0.57211796
   0.32991940  0.69938778  0.78690264
   0.10145861  0.78836522  0.51776041
   0.38294058  0.96404702  0.83302949
   0.48166729  0.84142742  0.67081700
   0.20348516  0.84074406  0.68925302
   0.31026919  0.66253517 -0.02542227
   0.05817842  0.64636557  0.89956571
   0.59364835  0.08456595  0.10241135
   0.85330380  0.19156778  0.30825498
   0.66213209  0.31751713  0.01542115
   0.84908269  0.44658537  0.35424417
   0.04084514  0.32920096  0.20195046
   0.78326539  0.39673624  0.18711494
   0.81779284  0.12867554  0.48456980
   0.55957629  0.15314645  0.42537831
   0.63278253  0.06142557  0.61794401
   0.86940261  0.20057378  0.82570732
   0.66068747  0.30800467  0.56748820
   0.88921036  0.44997343  0.85571679
   0.93156547  0.36238917  0.64770169
   0.69341926  0.44789450  0.73090618
   0.81275969  0.09086921  0.99638722
   0.58134632  0.13748714  0.90202531
   0.62625434  0.57233128  0.09277733
   0.80416861  0.69778762  0.29691933
   0.66061604  0.83326657  0.04438717
   0.88332539  0.93086768  0.36216167
   0.96147284  0.85295204  0.18219221
   0.71139065  0.91119925  0.22434584
   0.80845082  0.65621358  0.48184602
   0.56613453  0.60087997  0.39325026
   0.59506728  0.55896906  0.57497174
   0.85724316  0.69345590  0.78468058
   0.57266474  0.82504955  0.46379499
   0.93572763  0.93930134  0.85196223
   0.92826989  0.86500955  0.65618460
   0.71776247  0.89993702  0.75699366
   0.80317865  0.64478517  0.97590758
   0.55300345  0.65329969  0.90278826
   0.67091141  0.78710730  0.59223831
   0.65973515  0.88550092  0.44061380
   0.85475114  0.15220066  0.13364278
   0.76035700  0.44038691  0.32311847
   0.35842721  0.05066234  0.66793822
   0.24367679  0.69179965  0.77511967
   0.06240958  1.07118617  0.23431561
   0.18647730  0.97363496 -0.03350902
   0.66883207  0.24351829  0.76676523
   0.88125881  0.29502262  0.60369623
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954797   -0.230755   -0.042103
    -0.000000    9.953933   -0.054851
    -0.000000   -0.000000   13.744665
   Si   O    H 
    32    64    10
Direct configuration=   104
   0.18914051  0.12923032  0.01198764
   0.42002381  0.10000627  0.38365976
   0.15078865  0.39578803  0.12561724
   0.40976054  0.34040748  0.24897066
   0.15313573  0.13877962  0.49597421
   0.41743764  0.11149391  0.87492978
   0.09753324  0.38551729  0.62074287
   0.35044566  0.35771231  0.75588368
   0.15515938  0.66872868  0.00429011
   0.40947861  0.57420739  0.37145537
   0.10783235  0.90661032  0.15703414
   0.38219914  0.83542321  0.25641778
   0.14891583  0.64066736  0.48951538
   0.39029412  0.61635175  0.88151201
   0.07647524  0.88494126  0.61212457
   0.35117484  0.91570496  0.72066728
   0.65871325  0.15016931  1.00831885
   0.90717965  0.09611942  0.38936804
   0.65150324  0.41606405  0.11455417
   0.89165425  0.26552546  0.20549400
   0.66385632  0.15837254  0.52275764
   0.91543539  0.08467281  0.89884146
   0.60389403  0.42492266  0.63607566
   0.79672578  0.34390866  0.78145385
   0.65440079  0.68488263 -0.00136353
   0.88626014  0.60663228  0.37894755
   0.61130706  0.92537663  0.13478704
   0.84426188  0.85025530  0.26601135
   0.63911306  0.67254142  0.49586279
   0.89890010  0.60747229  0.87931636
   0.63523471  0.90122908  0.65189326
   0.86916330  0.84693164  0.75893047
   0.14243411  0.05501943  0.11453131
   0.39271890  0.17880252  0.27794768
   0.19134632  0.29998761  0.03653615
   0.40104791  0.41458650  0.35797608
   0.53797286  0.35367059  0.18602658
   0.28503273  0.41326775  0.19712323
   0.30200973  0.09524761  0.46691792
   0.05835152  0.13474176  0.39995263
   0.10563095  0.03778340  0.57688520
   0.35995490  0.19908578  0.78699734
   0.14399931  0.29297084  0.52716305
   0.37379233  0.45546635  0.84732664
   0.45424613  0.36650224  0.66835097
   0.18904537  0.38158781  0.71320101
   0.34803644  0.11202477 -0.01927330
   0.06390749  0.14458590  0.93577958
   0.11542208  0.54537945  0.08900686
   0.37947406  0.68030743  0.28294526
   0.13726545  0.81016168  0.05394689
   0.42172530  0.93404710  0.34717144
   0.46607749  0.85462023  0.16052998
   0.21708874  0.86663655  0.24300981
   0.30018031  0.62776856  0.45366267
   0.04794736  0.61817017  0.39060355
   0.09212973  0.53316098  0.57325088
   0.33150136  0.70029988  0.78708770
   0.10252534  0.78924128  0.51662830
   0.38289399  0.96415219  0.83258426
   0.48192382  0.84031998  0.67043782
   0.20387140  0.84044831  0.69055802
   0.31022592  0.66043484 -0.02560704
   0.05696674  0.64525473  0.89954913
   0.59429062  0.08439436  0.10418312
   0.85387969  0.19109301  0.30915404
   0.66068042  0.31681118  0.01473714
   0.84948406  0.44572705  0.35317370
   0.04270146  0.32947071  0.20204478
   0.78307340  0.39754490  0.18595622
   0.81761044  0.12636939  0.48454604
   0.56072324  0.15344758  0.42580201
   0.63261402  0.06138165  0.61695729
   0.87039448  0.20028799  0.82590263
   0.66033120  0.30785113  0.56717659
   0.88836700  0.45068224  0.85694810
   0.93100689  0.36336984  0.64818415
   0.69413175  0.44659837  0.73001595
   0.81388933  0.09133055  0.99493859
   0.58266417  0.13723604  0.90276200
   0.62497181  0.57102868  0.09436191
   0.80683464  0.69985749  0.29840844
   0.66156830  0.83306544  0.04400252
   0.88348908  0.93163681  0.36125656
   0.96172124  0.85349644  0.18152185
   0.71045424  0.90968843  0.22488782
   0.80791209  0.65645674  0.48195957
   0.56702053  0.60040156  0.39348753
   0.59671224  0.56093068  0.57542291
   0.85587309  0.69439876  0.78510674
   0.57256037  0.82439808  0.46388717
   0.93414447  0.94026636  0.85135432
   0.92955128  0.86430140  0.65536195
   0.71793431  0.89826915  0.75688436
   0.80481799  0.64378917  0.97548736
   0.55056274  0.65348657  0.90333795
   0.67452165  0.78742608  0.58902416
   0.65544794  0.88558413  0.44493661
   0.85557406  0.15372568  0.13476381
   0.75965867  0.44083840  0.31254608
   0.34676393  0.05199225  0.66938414
   0.23065615  0.68973110  0.77244951
   0.05147435  1.06892847  0.23357786
   0.18417852  0.97501155 -0.03664254
   0.68172003  0.24273278  0.76761662
   0.88032262  0.29819390  0.59656401
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958577   -0.233889   -0.042016
    -0.000000    9.954702   -0.056246
    -0.000000   -0.000000   13.745276
   Si   O    H 
    32    64    10
Direct configuration=   105
   0.18892484  0.12952895  0.01220902
   0.42018145  0.10017187  0.38376918
   0.15147306  0.39575009  0.12533632
   0.41129717  0.34067514  0.24813765
   0.15392911  0.13888733  0.49588881
   0.41823101  0.11230471  0.87460336
   0.09866484  0.38485775  0.61949562
   0.35040779  0.35580201  0.75547467
   0.15565331  0.66966150  0.00520042
   0.41002910  0.57405239  0.37060536
   0.10714467  0.90723330  0.15739938
   0.38210491  0.83464183  0.25693039
   0.14853901  0.63925249  0.48976043
   0.38967615  0.61615220  0.88133876
   0.07784820  0.88361148  0.61184755
   0.35133239  0.91514547  0.72055516
   0.65895059  0.14984900  1.00865303
   0.90748519  0.09637710  0.39033281
   0.65233810  0.41649247  0.11473159
   0.89217678  0.26705360  0.20598879
   0.66387448  0.15786904  0.52186099
   0.91549516  0.08305794  0.89837781
   0.60375646  0.42562584  0.63555958
   0.79799207  0.34368292  0.78281935
   0.65327472  0.68570783 -0.00135791
   0.88665168  0.60486034  0.37855258
   0.61092691  0.92477658  0.13480768
   0.84441809  0.84998421  0.26700393
   0.63898038  0.67367045  0.49590877
   0.89777600  0.60733856  0.88013853
   0.63630886  0.89962090  0.65200209
   0.86842712  0.84822252  0.75816716
   0.14244993  0.05677639  0.11421427
   0.39201152  0.17766093  0.27879646
   0.19250977  0.30017070  0.03675988
   0.40080285  0.41571564  0.35859748
   0.53894777  0.35534482  0.18622878
   0.28523526  0.41328063  0.19712646
   0.30441281  0.09418776  0.46705794
   0.05832225  0.13454547  0.40166394
   0.10651141  0.03476177  0.57585990
   0.36037221  0.19946724  0.78835166
   0.14418164  0.29236856  0.52571598
   0.37500924  0.45509298  0.84773073
   0.45430722  0.36750510  0.66762822
   0.18814912  0.37965902  0.71389532
   0.34957280  0.11152713 -0.01891567
   0.06341488  0.14486649  0.93540321
   0.11524590  0.54611897  0.08875186
   0.37854730  0.67867830  0.28195634
   0.13667501  0.81005803  0.05440408
   0.41997290  0.93395028  0.34586487
   0.46450497  0.85535384  0.16057080
   0.21601271  0.86444742  0.24301394
   0.29797969  0.62617070  0.45408426
   0.04690559  0.61844109  0.39040709
   0.09134609  0.53407911  0.57433825
   0.33321076  0.70097285  0.78698581
   0.10322846  0.78994004  0.51579790
   0.38322877  0.96404156  0.83256876
   0.48191680  0.83984575  0.67061105
   0.20442179  0.83977471  0.69080434
   0.31022259  0.65987165 -0.02533696
   0.05666434  0.64442289  0.89977816
   0.59500845  0.08369085  0.10555222
   0.85311471  0.19153384  0.30979239
   0.65983774  0.31653894  0.01407021
   0.84924386  0.44548235  0.35221022
   0.04412511  0.32969920  0.20229646
   0.78299956  0.39869428  0.18431702
   0.81713037  0.12459457  0.48515028
   0.56260906  0.15414015  0.42616483
   0.63223463  0.06096486  0.61576176
   0.87210591  0.20115647  0.82541386
   0.65977127  0.30820572  0.56704084
   0.88765609  0.45133503  0.85753896
   0.92980186  0.36404570  0.64790264
   0.69584517  0.44562528  0.72849586
   0.81475653  0.09165035  0.99299813
   0.58300567  0.13678141  0.90301720
   0.62362880  0.57033750  0.09559463
   0.80913237  0.70119754  0.29910394
   0.66261478  0.83413063  0.04314118
   0.88337296  0.93248167  0.36019018
   0.96107031  0.85390796  0.18127857
   0.70931927  0.90851511  0.22528304
   0.80828360  0.65623260  0.48194551
   0.56863969  0.59989130  0.39441674
   0.59761747  0.56211924  0.57593791
   0.85434434  0.69470701  0.78582207
   0.57351043  0.82402971  0.46418963
   0.93308964  0.94031708  0.85043034
   0.93085218  0.86431968  0.65479169
   0.71833856  0.89693305  0.75654574
   0.80723461  0.64375987  0.97448399
   0.54828839  0.65423410  0.90390210
   0.67881845  0.78895655  0.58485516
   0.64558778  0.88200894  0.44953059
   0.85843492  0.15578529  0.13692026
   0.76993501  0.44040693  0.30522542
   0.33897652  0.05408888  0.67054402
   0.22807494  0.69077602  0.76885084
   0.04769080  1.06546882  0.23417184
   0.18122558  0.97722701 -0.03858850
   0.69314831  0.24011172  0.76746276
   0.88857640  0.30901945  0.59543783
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961623   -0.237565   -0.041772
    -0.000000    9.955282   -0.057617
    -0.000000   -0.000000   13.746348
   Si   O    H 
    32    64    10
Direct configuration=   106
   0.18885586  0.13038088  0.01212946
   0.41996503  0.09963872  0.38372637
   0.15282077  0.39600151  0.12507851
   0.41204437  0.34084239  0.24790603
   0.15445640  0.13894902  0.49564685
   0.41933214  0.11230574  0.87488361
   0.09955597  0.38487855  0.61824334
   0.35062542  0.35466088  0.75528358
   0.15615069  0.67084955  0.00615184
   0.41035188  0.57394762  0.37003990
   0.10695510  0.90708692  0.15755990
   0.38147277  0.83400491  0.25756902
   0.14764166  0.63778834  0.48976846
   0.38974531  0.61537233  0.88082806
   0.07938181  0.88297050  0.61109205
   0.35097849  0.91390768  0.72067434
   0.65898640  0.14985198  1.00887644
   0.90784856  0.09589127  0.39087409
   0.65326245  0.41730105  0.11479686
   0.89248317  0.26905538  0.20642562
   0.66383183  0.15721000  0.52109849
   0.91555424  0.08177178  0.89762162
   0.60306723  0.42626777  0.63469354
   0.79973671  0.34348348  0.78431323
   0.65216470  0.68586354 -0.00150768
   0.88666065  0.60378212  0.37820446
   0.61066821  0.92462270  0.13493413
   0.84450126  0.84974414  0.26750718
   0.63870636  0.67473160  0.49535020
   0.89676847  0.60724622  0.88056175
   0.63778343  0.89807270  0.65203762
   0.86783420  0.84902262  0.75802740
   0.14253876  0.05792060  0.11390619
   0.39152141  0.17765498  0.27975517
   0.19391184  0.30062691  0.03679428
   0.39948587  0.41604320  0.35924793
   0.54058695  0.35695677  0.18620933
   0.28579203  0.41296674  0.19687535
   0.30626329  0.09257894  0.46710628
   0.05848494  0.13435324  0.40313869
   0.10677222  0.03158491  0.57501582
   0.36025045  0.20010209  0.78921700
   0.14422547  0.29340160  0.52480414
   0.37616362  0.45506898  0.84862986
   0.45524542  0.36895194  0.66672235
   0.18868744  0.37808182  0.71467692
   0.35037226  0.11117760 -0.01863080
   0.06224575  0.14496717  0.93482060
   0.11457571  0.54675863  0.08830463
   0.37689142  0.67678841  0.28078520
   0.13603289  0.81065038  0.05511287
   0.41838786  0.93481734  0.34405677
   0.46367854  0.85712337  0.16088411
   0.21518362  0.86232408  0.24291137
   0.29595717  0.62471395  0.45404975
   0.04564771  0.61895971  0.38974592
   0.09115661  0.53492406  0.57526784
   0.33467457  0.70153625  0.78731424
   0.10344871  0.79086312  0.51483785
   0.38330356  0.96326558  0.83300739
   0.48185401  0.83957672  0.67071476
   0.20477063  0.83832591  0.69028636
   0.31088077  0.65874953 -0.02461840
   0.05705060  0.64375420  0.90006272
   0.59498514  0.08231222  0.10672640
   0.85229846  0.19263762  0.30994920
   0.65953704  0.31688934  0.01342836
   0.84977995  0.44619120  0.35092883
   0.04467348  0.32993346  0.20260560
   0.78412635  0.39905023  0.18311835
   0.81586687  0.12321613  0.48572979
   0.56406582  0.15428678  0.42635560
   0.63177519  0.06083042  0.61441863
   0.87381072  0.20199424  0.82514447
   0.65932927  0.30872908  0.56678637
   0.88642448  0.45239546  0.85783228
   0.92856462  0.36455924  0.64770019
   0.69738021  0.44551996  0.72707011
   0.81556244  0.09114482  0.99128502
   0.58267040  0.13537050  0.90347200
   0.62241935  0.57008436  0.09648953
   0.81136543  0.70117803  0.30015402
   0.66319329  0.83507269  0.04224794
   0.88395802  0.93326390  0.35975237
   0.95985426  0.85471322  0.18085725
   0.70777111  0.90747482  0.22620902
   0.80783047  0.65551460  0.48146446
   0.57038060  0.60010293  0.39556142
   0.59837236  0.56294002  0.57672887
   0.85287607  0.69435908  0.78617073
   0.57408386  0.82375617  0.46499564
   0.93257829  0.93947309  0.84923679
   0.93184594  0.86366839  0.65440676
   0.71805306  0.89595620  0.75628531
   0.80853476  0.64482446  0.97323538
   0.54642756  0.65542695  0.90468270
   0.68324225  0.79019079  0.57869557
   0.64309965  0.88268416  0.45239834
   0.86002379  0.16186067  0.13875254
   0.78086523  0.44320674  0.29800285
   0.33382279  0.04891126  0.67135550
   0.23763125  0.69389423  0.76747313
   0.04649757  1.06255264  0.23260210
   0.17731598  0.97883281 -0.03884627
   0.70157306  0.23422947  0.76601910
   0.89439725  0.31924175  0.59660601
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964641   -0.240882   -0.041456
    -0.000000    9.956142   -0.059093
    -0.000000   -0.000000   13.747198
   Si   O    H 
    32    64    10
Direct configuration=   107
   0.19000736  0.13115736  0.01187510
   0.41980180  0.09863218  0.38344675
   0.15464755  0.39638788  0.12493141
   0.41223785  0.34080324  0.24747178
   0.15487346  0.13889284  0.49536615
   0.42101854  0.11183596  0.87507064
   0.10008335  0.38502456  0.61706386
   0.35059282  0.35388757  0.75484322
   0.15650805  0.67142833  0.00700948
   0.41020734  0.57325169  0.37012074
   0.10653084  0.90705751  0.15748284
   0.38054825  0.83334240  0.25807904
   0.14648011  0.63650126  0.48917715
   0.38960493  0.61400354  0.88026739
   0.08103320  0.88136740  0.61066500
   0.35020101  0.91245119  0.72083321
   0.65928269  0.14995840  1.00862780
   0.90835851  0.09502703  0.39146676
   0.65489330  0.41735983  0.11481315
   0.89280835  0.27084874  0.20687818
   0.66369391  0.15673654  0.52037892
   0.91552837  0.08114757  0.89623331
   0.60242233  0.42657104  0.63389827
   0.80115928  0.34395036  0.78535360
   0.65152595  0.68510527 -0.00192224
   0.88654547  0.60280168  0.37799355
   0.61031581  0.92383766  0.13494891
   0.84449602  0.84869339  0.26741270
   0.63909252  0.67655199  0.49479313
   0.89599960  0.60737550  0.88088561
   0.63921255  0.89672287  0.65235349
   0.86740267  0.85011563  0.75812447
   0.14278976  0.05869564  0.11333781
   0.39114428  0.17870767  0.28033247
   0.19497407  0.30012169  0.03754759
   0.39822137  0.41587136  0.35948251
   0.54247055  0.35861408  0.18628356
   0.28577682  0.41289833  0.19677751
   0.30818140  0.09159168  0.46812760
   0.05827183  0.13405707  0.40451048
   0.10675794  0.02886833  0.57430323
   0.35951546  0.20104518  0.79047090
   0.14408459  0.29399908  0.52421645
   0.37787825  0.45446958  0.84969671
   0.45626639  0.37023342  0.66655220
   0.18979597  0.37717563  0.71596677
   0.35105683  0.11079341 -0.01812506
   0.06124809  0.14490106  0.93365273
   0.11465969  0.54734279  0.08752057
   0.37499848  0.67493739  0.27932927
   0.13554241  0.81147424  0.05645897
   0.41647507  0.93548093  0.34228635
   0.46309042  0.85838294  0.16067752
   0.21490895  0.86010966  0.24284407
   0.29431523  0.62272571  0.45461887
   0.04578617  0.61923848  0.38953053
   0.09110523  0.53594092  0.57602272
   0.33628899  0.70144780  0.78738744
   0.10322552  0.79115869  0.51429266
   0.38345084  0.96266926  0.83339224
   0.48236989  0.83972041  0.67089988
   0.20489083  0.83685014  0.69003390
   0.31165007  0.65804205 -0.02391996
   0.05768598  0.64366491  0.90090873
   0.59518376  0.08085292  0.10782834
   0.85129511  0.19458935  0.30966742
   0.65850363  0.31675351  0.01294088
   0.85099898  0.44722762  0.34966623
   0.04548219  0.33048711  0.20282711
   0.78524073  0.39873525  0.18174617
   0.81485770  0.12221023  0.48643504
   0.56459647  0.15381923  0.42745824
   0.63144393  0.06003540  0.61311519
   0.87510448  0.20320260  0.82453108
   0.65843788  0.30889887  0.56623543
   0.88446983  0.45235552  0.85744824
   0.92868710  0.36539382  0.64843778
   0.69948882  0.44584051  0.72559808
   0.81581411  0.09113932  0.98931789
   0.58239964  0.13452857  0.90362938
   0.62180415  0.57111292  0.09673703
   0.81406208  0.70192891  0.30105176
   0.66307451  0.83609361  0.04165406
   0.88339324  0.93466225  0.36005361
   0.95814009  0.85535172  0.18064191
   0.70555666  0.90647611  0.22680943
   0.80704681  0.65503360  0.48072307
   0.57173090  0.60051714  0.39658983
   0.59879148  0.56212085  0.57746428
   0.85086468  0.69324469  0.78703742
   0.57435207  0.82329210  0.46545760
   0.93180949  0.93855270  0.84781024
   0.93257465  0.86394554  0.65381397
   0.71686955  0.89524475  0.75603151
   0.80957424  0.64608846  0.97230056
   0.54547046  0.65714525  0.90565232
   0.68589217  0.79165459  0.57625405
   0.64892753  0.89311495  0.44966845
   0.86362798  0.16487272  0.13609095
   0.78928614  0.44934941  0.29570141
   0.33072129  0.04375998  0.67421418
   0.24480848  0.69768271  0.76816638
   0.04841073  1.06155731  0.23239827
   0.17162293  0.97791358 -0.03416645
   0.70201209  0.22459312  0.76439021
   0.89117532  0.31952196  0.58854811
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967196   -0.244025   -0.041046
    -0.000000    9.957082   -0.059897
    -0.000000   -0.000000   13.748509
   Si   O    H 
    32    64    10
Direct configuration=   108
   0.19089181  0.13231645  0.01154619
   0.41959169  0.09772747  0.38262385
   0.15650448  0.39661769  0.12461461
   0.41179369  0.34086185  0.24769595
   0.15599751  0.13918911  0.49540560
   0.42259936  0.11194723  0.87547423
   0.10008939  0.38487523  0.61624469
   0.35078697  0.35293686  0.75416226
   0.15686623  0.67150741  0.00793446
   0.41044929  0.57314763  0.37018371
   0.10671309  0.90734855  0.15742370
   0.37882293  0.83300147  0.25920513
   0.14455453  0.63527332  0.48872088
   0.38957809  0.61329578  0.88006277
   0.08322229  0.87990044  0.61035180
   0.34991049  0.91124821  0.72111498
   0.65946006  0.15013074  1.00807974
   0.90823534  0.09396885  0.39207102
   0.65642253  0.41688888  0.11497318
   0.89264417  0.27241704  0.20731301
   0.66370020  0.15687555  0.51948604
   0.91568707  0.08104500  0.89525036
   0.60170574  0.42697054  0.63325695
   0.80207511  0.34376147  0.78610402
   0.65139763  0.68441145 -0.00190504
   0.88613591  0.60173710  0.37790353
   0.60945101  0.92259652  0.13539677
   0.84434547  0.84728001  0.26691116
   0.63976822  0.67767255  0.49450185
   0.89571403  0.60868623  0.88118398
   0.64047167  0.89538073  0.65232002
   0.86628634  0.85114319  0.75837832
   0.14307190  0.05947646  0.11304952
   0.39052366  0.18080356  0.28085235
   0.19587718  0.29903631  0.03800641
   0.39696950  0.41465471  0.35915126
   0.54397975  0.35984344  0.18653946
   0.28555936  0.41184032  0.19679533
   0.31038201  0.09131100  0.46883824
   0.05825898  0.13382171  0.40621011
   0.10672312  0.02651361  0.57336305
   0.35897020  0.20231768  0.79205744
   0.14461818  0.29410580  0.52489608
   0.37951158  0.45413898  0.85038692
   0.45720330  0.37164944  0.66697210
   0.19199531  0.37601045  0.71674095
   0.35071581  0.10996913 -0.01751162
   0.06056003  0.14459955  0.93316355
   0.11551811  0.54723504  0.08660759
   0.37382059  0.67282797  0.27798547
   0.13590351  0.81316862  0.05765594
   0.41445228  0.93673666  0.34070478
   0.46243705  0.85882985  0.15969608
   0.21456371  0.85748006  0.24262805
   0.29332375  0.62014852  0.45489567
   0.04557710  0.61926464  0.38965303
   0.09145321  0.53717951  0.57657809
   0.33807571  0.70188481  0.78701597
   0.10384970  0.79160414  0.51413818
   0.38311320  0.96154334  0.83317846
   0.48368655  0.84076618  0.67117685
   0.20428279  0.83646436  0.69050088
   0.31169872  0.65741172 -0.02276278
   0.05845941  0.64375969  0.90179252
   0.59623579  0.07961396  0.10853154
   0.85015145  0.19598880  0.30888784
   0.65732997  0.31712073  0.01306516
   0.85281146  0.44846775  0.34837334
   0.04647219  0.33095689  0.20270588
   0.78642571  0.39741775  0.18064938
   0.81401192  0.12112915  0.48710099
   0.56477394  0.15388957  0.42835697
   0.63138416  0.05844393  0.61197659
   0.87651166  0.20343580  0.82361083
   0.65794289  0.30902795  0.56574278
   0.88235541  0.45137475  0.85687885
   0.92978498  0.36662715  0.64869550
   0.70201804  0.44706312  0.72431986
   0.81598426  0.09101009  0.98742364
   0.58194110  0.13369534  0.90330391
   0.62121974  0.57213190  0.09681608
   0.81659460  0.70221589  0.30181194
   0.66258328  0.83719548  0.04111116
   0.88352117  0.93664035  0.36068554
   0.95531416  0.85679886  0.18125878
   0.70443630  0.90452997  0.22765656
   0.80592467  0.65532298  0.47937629
   0.57274214  0.59925964  0.39718115
   0.59919770  0.56231377  0.57816175
   0.84966457  0.69167728  0.78775609
   0.57552062  0.82372556  0.46592901
   0.93190172  0.93716738  0.84688254
   0.93407121  0.86416272  0.65285676
   0.71521836  0.89437871  0.75590352
   0.81001103  0.64728808  0.97215903
   0.54477422  0.65852399  0.90686286
   0.68950457  0.79347275  0.57662018
   0.64878783  0.89932848  0.44748352
   0.86414080  0.16922280  0.13208174
   0.79309682  0.45529724  0.29177990
   0.32753611  0.04154703  0.67699459
   0.24603616  0.69959206  0.76613956
   0.05718067  1.06105358  0.22942203
   0.16810794  0.97610980 -0.02967065
   0.70444692  0.21915548  0.76073801
   0.88919980  0.32136548  0.58459609
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.969617   -0.246892   -0.040560
    -0.000000    9.958346   -0.060294
    -0.000000   -0.000000   13.749410
   Si   O    H 
    32    64    10
Direct configuration=   109
   0.19150948  0.13318079  0.01069508
   0.41968105  0.09638867  0.38180092
   0.15757670  0.39655845  0.12445467
   0.41113321  0.34011811  0.24800553
   0.15719236  0.13874278  0.49581084
   0.42394715  0.11177542  0.87623137
   0.09897697  0.38478054  0.61582152
   0.35044569  0.35245272  0.75340473
   0.15734320  0.67076013  0.00869729
   0.40982832  0.57317537  0.37041046
   0.10699772  0.90835590  0.15737342
   0.37720738  0.83258474  0.26011194
   0.14288282  0.63423013  0.48864069
   0.39003002  0.61217731  0.87951414
   0.08609839  0.87870538  0.61028170
   0.35040905  0.91046452  0.72159024
   0.65986428  0.15043085  1.00695385
   0.90781594  0.09228633  0.39194760
   0.65784710  0.41658202  0.11467553
   0.89244878  0.27369461  0.20740182
   0.66399170  0.15669600  0.51856235
   0.91606557  0.08126818  0.89445306
   0.60174442  0.42721410  0.63273028
   0.80301068  0.34345606  0.78626150
   0.65121237  0.68371307 -0.00155691
   0.88565527  0.60036849  0.37834147
   0.60901698  0.92180029  0.13541916
   0.84353242  0.84602382  0.26634501
   0.64075235  0.67878301  0.49428123
   0.89515029  0.60998288  0.88159383
   0.64106218  0.89452372  0.65205090
   0.86549917  0.85196271  0.75861085
   0.14304447  0.05965498  0.11238425
   0.39029720  0.18325755  0.28161621
   0.19728483  0.29800386  0.03815547
   0.39561587  0.41270509  0.35869841
   0.54466114  0.36020023  0.18592461
   0.28535982  0.41125002  0.19694589
   0.31173852  0.09121686  0.46944939
   0.05921419  0.13313826  0.40701333
   0.10720967  0.02576184  0.57255288
   0.35877981  0.20401089  0.79318097
   0.14540330  0.29492937  0.52599967
   0.38150259  0.45375026  0.85077103
   0.45804823  0.37342969  0.66725206
   0.19510739  0.37422701  0.71702890
   0.35047863  0.11000484 -0.01700279
   0.05940200  0.14381374  0.93293080
   0.11607201  0.54693156  0.08573251
   0.37289120  0.67051117  0.27753487
   0.13653893  0.81458708  0.05897027
   0.41240502  0.93774666  0.33934673
   0.46231840  0.85883362  0.15940871
   0.21437023  0.85528929  0.24232380
   0.29261608  0.61761125  0.45487458
   0.04579819  0.61988083  0.38981692
   0.09161594  0.53851796  0.57670894
   0.33959321  0.70309715  0.78608692
   0.10425560  0.79196575  0.51434627
   0.38339160  0.96083020  0.83286459
   0.48514237  0.84103092  0.67138732
   0.20346084  0.83643935  0.69091115
   0.31171767  0.65675695 -0.02189355
   0.05991878  0.64442040  0.90320303
   0.59742876  0.07909020  0.10949509
   0.84848469  0.19731377  0.30805443
   0.65625715  0.31721203  0.01388973
   0.85469785  0.44908188  0.34716157
   0.04712187  0.33145727  0.20239842
   0.78789463  0.39481379  0.18025318
   0.81399248  0.12050989  0.48835932
   0.56444450  0.15374146  0.42897220
   0.63156479  0.05763459  0.61057735
   0.87770082  0.20383738  0.82259402
   0.65764596  0.30939245  0.56523444
   0.87980671  0.44982782  0.85627854
   0.93098364  0.36735190  0.64838394
   0.70389153  0.44840807  0.72322854
   0.81595835  0.09091464  0.98606845
   0.58157913  0.13315056  0.90252123
   0.62165755  0.57289260  0.09690699
   0.81882797  0.70151121  0.30210859
   0.66139158  0.83787100  0.04056918
   0.88339884  0.93855446  0.36137761
   0.95324530  0.85832254  0.18150656
   0.70310099  0.90225357  0.22903457
   0.80512777  0.65537065  0.47806882
   0.57313891  0.59792190  0.39762705
   0.59924718  0.56326074  0.57860014
   0.84785073  0.69006932  0.78792820
   0.57679735  0.82514583  0.46596448
   0.93182576  0.93571392  0.84639811
   0.93518453  0.86401091  0.65298573
   0.71329638  0.89442221  0.75526258
   0.80948517  0.64877148  0.97188798
   0.54406083  0.66045205  0.90774612
   0.69129962  0.79625533  0.58359278
   0.64261002  0.89633037  0.44723433
   0.86372602  0.17583179  0.12923790
   0.79476102  0.46397417  0.28806614
   0.32545986  0.03883886  0.67663960
   0.24150791  0.70041409  0.76451470
   0.06568251  1.05872653  0.22986954
   0.16478379  0.97607027 -0.02885944
   0.70770133  0.21559890  0.75703887
   0.89163047  0.32646889  0.58679198
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972221   -0.250524   -0.040574
    -0.000000    9.959303   -0.060449
    -0.000000   -0.000000   13.750561
   Si   O    H 
    32    64    10
Direct configuration=   110
   0.19224165  0.13373295  0.00954763
   0.41965086  0.09593432  0.38070192
   0.15841831  0.39671231  0.12459959
   0.41003547  0.33965247  0.24847139
   0.15835920  0.13800548  0.49600950
   0.42535731  0.11187518  0.87740228
   0.09755822  0.38470501  0.61595744
   0.34936797  0.35267341  0.75279685
   0.15777938  0.66995715  0.00929487
   0.40909888  0.57353069  0.37102541
   0.10735457  0.91026881  0.15749172
   0.37577967  0.83171164  0.26063571
   0.14105474  0.63313424  0.48824316
   0.39029918  0.61138705  0.87936547
   0.08948748  0.87775636  0.61010205
   0.35057852  0.90961935  0.72207909
   0.66026949  0.15081453  1.00586295
   0.90760231  0.09035758  0.39182667
   0.65878595  0.41578507  0.11415282
   0.89218829  0.27496781  0.20708670
   0.66404655  0.15672401  0.51813650
   0.91624409  0.08168711  0.89392058
   0.60165749  0.42720023  0.63173208
   0.80353047  0.34262637  0.78571009
   0.65101763  0.68278319 -0.00106997
   0.88590201  0.59913390  0.37906865
   0.60862971  0.92009204  0.13526879
   0.84244067  0.84488230  0.26583236
   0.64163996  0.68000280  0.49443490
   0.89516067  0.61124700  0.88185829
   0.64117827  0.89403296  0.65138784
   0.86549554  0.85296812  0.75899487
   0.14411055  0.05905812  0.11172821
   0.39082149  0.18517456  0.28251677
   0.19836277  0.29667878  0.03831945
   0.39477586  0.41129045  0.35800277
   0.54471548  0.36005046  0.18566459
   0.28612178  0.41101767  0.19676160
   0.31242838  0.09221560  0.46958340
   0.06070372  0.13234374  0.40750408
   0.10830180  0.02543268  0.57166023
   0.35855599  0.20560337  0.79407379
   0.14588014  0.29668088  0.52706310
   0.38399282  0.45262014  0.85109233
   0.45871717  0.37466619  0.66806763
   0.19642203  0.37255373  0.71731760
   0.35013704  0.11033737 -0.01672916
   0.05815589  0.14329934  0.93272928
   0.11702504  0.54728773  0.08445398
   0.37172736  0.66816586  0.27766242
   0.13726115  0.81530064  0.05940580
   0.41189177  0.93962799  0.33858672
   0.46237081  0.85845364  0.15927839
   0.21349621  0.85397807  0.24206178
   0.29249775  0.61518670  0.45408466
   0.04633542  0.62091112  0.38956767
   0.09176208  0.53916623  0.57672667
   0.33992129  0.70348730  0.78540844
   0.10542456  0.79166980  0.51431424
   0.38349072  0.96002077  0.83233769
   0.48631357  0.84167255  0.67191357
   0.20271252  0.83651305  0.69144791
   0.31189519  0.65472687 -0.02129160
   0.06177214  0.64524129  0.90453229
   0.59809733  0.07774323  0.10990234
   0.84656761  0.19787205  0.30714484
   0.65537492  0.31751236  0.01467419
   0.85514055  0.44944737  0.34583991
   0.04707781  0.33270557  0.20208004
   0.78880801  0.39226079  0.18001963
   0.81463746  0.12023177  0.48959811
   0.56411849  0.15327066  0.42898937
   0.63157592  0.05614807  0.60962684
   0.87840473  0.20370433  0.82148730
   0.65764523  0.30972433  0.56468864
   0.87739909  0.44889511  0.85607884
   0.93259048  0.36730918  0.64773080
   0.70520446  0.45017980  0.72264982
   0.81538696  0.09148166  0.98517185
   0.58123547  0.13289337  0.90210178
   0.62224344  0.57344029  0.09642918
   0.82198841  0.70080570  0.30210022
   0.66068491  0.83923959  0.04006610
   0.88361405  0.94042315  0.36185696
   0.95033756  0.85947866  0.18169802
   0.70206598  0.90004105  0.22980818
   0.80415032  0.65493865  0.47705344
   0.57244011  0.59668853  0.39817693
   0.59944647  0.56530718  0.57895255
   0.84619316  0.68931468  0.78782693
   0.57765152  0.82755133  0.46543171
   0.93200968  0.93453409  0.84641991
   0.93659359  0.86411472  0.65322661
   0.71171855  0.89445486  0.75486306
   0.80825194  0.65025314  0.97190668
   0.54400598  0.66235341  0.90880279
   0.69481477  0.79506341  0.58973140
   0.63744017  0.89505917  0.44523861
   0.86210980  0.18024504  0.12484040
   0.79683683  0.47018379  0.28747174
   0.32316910  0.04064908  0.67506517
   0.24712082  0.69910514  0.76146113
   0.07426190  1.05789463  0.23350129
   0.16119300  0.97754180 -0.02976535
   0.71192870  0.21709962  0.75713632
   0.89113875  0.33484964  0.59163329
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975006   -0.253860   -0.040268
    -0.000000    9.960192   -0.060600
    -0.000000   -0.000000   13.751593
   Si   O    H 
    32    64    10
Direct configuration=   111
   0.19295999  0.13434181  0.00825296
   0.41946994  0.09550143  0.37970228
   0.15904504  0.39756076  0.12486515
   0.40963870  0.33919716  0.24898727
   0.15981592  0.13745552  0.49595517
   0.42615825  0.11172517  0.87860849
   0.09642391  0.38514890  0.61669779
   0.34867297  0.35323069  0.75270203
   0.15794868  0.66883767  0.00946810
   0.40831174  0.57436356  0.37205687
   0.10717189  0.91184626  0.15768928
   0.37420103  0.83034436  0.26093233
   0.13855761  0.63260026  0.48733260
   0.39030868  0.61131350  0.87913184
   0.09293757  0.87666610  0.61029601
   0.35144812  0.90889769  0.72259656
   0.66087173  0.15149587  1.00472485
   0.90736183  0.08941834  0.39137750
   0.65951855  0.41503165  0.11402523
   0.89233296  0.27545093  0.20670335
   0.66402787  0.15680023  0.51741191
   0.91638666  0.08130884  0.89389390
   0.60212375  0.42769598  0.63090473
   0.80417537  0.34161318  0.78496204
   0.65099966  0.68157321 -0.00025609
   0.88643063  0.59819077  0.37963086
   0.60815849  0.91801046  0.13471769
   0.84197424  0.84467454  0.26552604
   0.64295265  0.68148615  0.49483890
   0.89541281  0.61257180  0.88233588
   0.64171788  0.89420105  0.65078133
   0.86606270  0.85396308  0.75984731
   0.14388081  0.05830614  0.11139180
   0.39164209  0.18592849  0.28299355
   0.19939009  0.29484562  0.03824284
   0.39421758  0.41010774  0.35674206
   0.54441743  0.35984036  0.18578915
   0.28637179  0.41076657  0.19574628
   0.31310842  0.09296474  0.46995332
   0.06277550  0.13231379  0.40710712
   0.10950434  0.02575738  0.57057511
   0.35828765  0.20631877  0.79572145
   0.14672298  0.29807766  0.52888815
   0.38623004  0.45156896  0.85118121
   0.45943764  0.37528699  0.66886941
   0.19730230  0.37211849  0.71784198
   0.34939112  0.11123993 -0.01639715
   0.05772959  0.14275382  0.93284433
   0.11828786  0.54741074  0.08336676
   0.37082034  0.66669638  0.27781771
   0.13761122  0.81593878  0.05980483
   0.41194591  0.94176888  0.33805587
   0.46150364  0.85745736  0.15942524
   0.21172981  0.85224510  0.24160830
   0.29214404  0.61326429  0.45315174
   0.04611650  0.62127181  0.38954936
   0.09229559  0.53975621  0.57691825
   0.34059684  0.70460302  0.78439559
   0.10666562  0.79110090  0.51412815
   0.38400440  0.95989505  0.83240530
   0.48729210  0.84178844  0.67260625
   0.20179660  0.83694271  0.69146899
   0.31195433  0.65218343 -0.02098979
   0.06365969  0.64644249  0.90659558
   0.59924160  0.07671278  0.10982822
   0.84512075  0.19800791  0.30690696
   0.65370286  0.31820618  0.01594674
   0.85548804  0.45020533  0.34393432
   0.04721359  0.33394237  0.20173807
   0.78902047  0.39005580  0.17987158
   0.81584528  0.11925532  0.49005226
   0.56332579  0.15251873  0.42826408
   0.63177510  0.05428300  0.60880136
   0.87844025  0.20368568  0.82031134
   0.65877135  0.30867073  0.56386260
   0.87459950  0.44823631  0.85602300
   0.93421274  0.36706026  0.64812352
   0.70613248  0.45198911  0.72268800
   0.81279096  0.09199160  0.98504750
   0.58072567  0.13245722  0.90190641
   0.62253979  0.57440016  0.09636798
   0.82432933  0.69927596  0.30173447
   0.66011134  0.83997810  0.03908886
   0.88299286  0.94184365  0.36226653
   0.94873150  0.86121109  0.18183196
   0.70106315  0.89846606  0.23020343
   0.80434121  0.65525341  0.47527087
   0.57167678  0.59467388  0.39851946
   0.59958149  0.56770259  0.57904901
   0.84470481  0.68899123  0.78740666
   0.57852776  0.82943522  0.46496575
   0.93337809  0.93297989  0.84663675
   0.93804331  0.86341554  0.65283884
   0.71046108  0.89447044  0.75434805
   0.80660316  0.65204814  0.97242415
   0.54483983  0.66353705  0.91036644
   0.70118450  0.78880628  0.58945118
   0.64290866  0.90200107  0.44120857
   0.86247220  0.18340428  0.11989099
   0.79805793  0.47546462  0.28920506
   0.31951187  0.04140723  0.67433297
   0.24602965  0.69198103  0.75851823
   0.08332370  1.05441021  0.23664130
   0.15829746  0.97474867 -0.03188085
   0.71198334  0.22672249  0.75953166
   0.88752282  0.33794175  0.59020049
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.977462   -0.256742   -0.039504
    -0.000000    9.961672   -0.060526
    -0.000000   -0.000000   13.752544
   Si   O    H 
    32    64    10
Direct configuration=   112
   0.19398165  0.13426242  0.00687072
   0.41976289  0.09458891  0.37874725
   0.16033057  0.39805902  0.12482904
   0.40971901  0.33875508  0.24952061
   0.16161005  0.13777608  0.49592094
   0.42652576  0.11178688  0.87958371
   0.09521869  0.38541062  0.61776254
   0.34770026  0.35344582  0.75275669
   0.15838052  0.66782234  0.00967409
   0.40792937  0.57521926  0.37306618
   0.10681047  0.91302268  0.15790451
   0.37181230  0.82874491  0.26097811
   0.13672964  0.63226297  0.48675591
   0.39079806  0.61067250  0.87870105
   0.09532333  0.87545102  0.61056636
   0.35284498  0.90831829  0.72340771
   0.66181308  0.15221291  1.00368417
   0.90721205  0.08931865  0.39111168
   0.65975805  0.41436104  0.11417494
   0.89270359  0.27558310  0.20631843
   0.66428042  0.15705276  0.51716345
   0.91570292  0.08121496  0.89410506
   0.60309317  0.42808316  0.63039217
   0.80443188  0.34003153  0.78414575
   0.65082194  0.68052480  0.00086423
   0.88691590  0.59802046  0.38049596
   0.60801576  0.91582309  0.13415954
   0.84124747  0.84483884  0.26559921
   0.64409765  0.68237737  0.49490391
   0.89570877  0.61363436  0.88251947
   0.64148106  0.89421482  0.65042017
   0.86592484  0.85449006  0.76020436
   0.14372858  0.05868328  0.11083220
   0.39217643  0.18642035  0.28294489
   0.20001274  0.29362848  0.03862688
   0.39392288  0.40838986  0.35532627
   0.54406480  0.35883150  0.18635529
   0.28732887  0.41028751  0.19493051
   0.31361400  0.09359458  0.47002163
   0.06352121  0.13248996  0.40678655
   0.11011554  0.02587616  0.56949000
   0.35747347  0.20682229  0.79749026
   0.14697764  0.29896347  0.53058145
   0.38822701  0.45048703  0.85155826
   0.46019589  0.37598199  0.66958369
   0.19742793  0.37173603  0.71732681
   0.34953753  0.11198276 -0.01581598
   0.05759289  0.14175114  0.93337812
   0.11955773  0.54773273  0.08215574
   0.37043115  0.66538611  0.27805938
   0.13705953  0.81717551  0.05984000
   0.41275291  0.94447833  0.33873063
   0.46006332  0.85597964  0.15953067
   0.21025774  0.85083930  0.24089934
   0.29190095  0.61202874  0.45236592
   0.04557173  0.62058371  0.38948285
   0.09344774  0.54017595  0.57734099
   0.34073856  0.70552206  0.78334273
   0.10892583  0.78996721  0.51369829
   0.38524987  0.96013244  0.83302676
   0.48863665  0.84251523  0.67329381
   0.20029779  0.83674892  0.69219931
   0.31196619  0.65028422 -0.02066149
   0.06560423  0.64750722  0.90854829
   0.59966009  0.07658393  0.10951136
   0.84398765  0.19835545  0.30655970
   0.65275492  0.31948513  0.01720473
   0.85534693  0.45036729  0.34209775
   0.04698303  0.33486979  0.20140349
   0.78939060  0.38930007  0.17984191
   0.81740322  0.11772699  0.49037041
   0.56265380  0.15218702  0.42683046
   0.63110060  0.05194328  0.60836177
   0.87874755  0.20310146  0.81963415
   0.66010952  0.30703604  0.56285458
   0.87233940  0.44712859  0.85683003
   0.93656266  0.36721607  0.64803873
   0.70795922  0.45258274  0.72263086
   0.81031914  0.09238913  0.98483149
   0.57962344  0.13126010  0.90212204
   0.62234545  0.57519636  0.09563564
   0.82632066  0.69724291  0.30081982
   0.65915309  0.83989446  0.03789165
   0.88140600  0.94204594  0.36254397
   0.94741786  0.86225081  0.18183511
   0.69970594  0.89723004  0.22973315
   0.80450170  0.65568730  0.47365008
   0.57069850  0.59305829  0.39905223
   0.59894990  0.56970315  0.57878739
   0.84357246  0.68976456  0.78649141
   0.58023371  0.83096376  0.46446818
   0.93443215  0.93186507  0.84690529
   0.93991785  0.86297655  0.65295642
   0.71043415  0.89487714  0.75419652
   0.80582989  0.65372098  0.97288474
   0.54501333  0.66431782  0.91153892
   0.70878833  0.78184677  0.59373180
   0.64614755  0.90749173  0.43855867
   0.86291760  0.18667295  0.11870782
   0.79775289  0.47856114  0.29003374
   0.31764412  0.03996729  0.67513668
   0.24836493  0.68507590  0.75878766
   0.09395405  1.05181762  0.23988298
   0.15240314  0.97236333 -0.03323588
   0.70468652  0.23886726  0.75992800
   0.87859382  0.34298317  0.58569415
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979767   -0.259413   -0.038922
    -0.000000    9.963396   -0.060136
    -0.000000   -0.000000   13.753502
   Si   O    H 
    32    64    10
Direct configuration=   113
   0.19442765  0.13462821  0.00552175
   0.41977566  0.09359883  0.37822309
   0.16093536  0.39890807  0.12469943
   0.40964261  0.33736513  0.24989115
   0.16388231  0.13816180  0.49618187
   0.42603634  0.11158698  0.88049119
   0.09452767  0.38624439  0.61903898
   0.34711347  0.35327863  0.75306137
   0.15925672  0.66664257  0.00970332
   0.40784507  0.57613180  0.37411261
   0.10608413  0.91422966  0.15828633
   0.36983625  0.82726706  0.26121515
   0.13551677  0.63248085  0.48592955
   0.39134215  0.61032853  0.87860676
   0.09822769  0.87420941  0.61052578
   0.35455069  0.90748527  0.72407076
   0.66279120  0.15252994  1.00298874
   0.90684805  0.08997183  0.39069481
   0.65956839  0.41337157  0.11479633
   0.89277346  0.27518212  0.20612349
   0.66461586  0.15761910  0.51703377
   0.91518166  0.08144317  0.89441709
   0.60441168  0.42871744  0.63022685
   0.80499183  0.33840030  0.78295481
   0.65018650  0.67941512  0.00199553
   0.88675827  0.59810118  0.38196262
   0.60768954  0.91407512  0.13316969
   0.84086584  0.84510931  0.26604559
   0.64491794  0.68319798  0.49457559
   0.89644996  0.61388661  0.88262959
   0.64084946  0.89397014  0.64954852
   0.86612469  0.85510030  0.76068342
   0.14335749  0.05894477  0.10995307
   0.39189868  0.18680283  0.28250200
   0.20059916  0.29161342  0.03904301
   0.39367590  0.40682798  0.35428605
   0.54389855  0.35903914  0.18663002
   0.28777023  0.40991546  0.19414736
   0.31312101  0.09521959  0.47007469
   0.06406043  0.13261833  0.40596924
   0.11067627  0.02702499  0.56865084
   0.35753426  0.20693708  0.79897930
   0.14748933  0.29911802  0.53191222
   0.38959020  0.44892290  0.85085341
   0.46005090  0.37633738  0.67022059
   0.19710379  0.37052897  0.71657905
   0.35031911  0.11283479 -0.01497805
   0.05748484  0.14011575  0.93423860
   0.12166013  0.54811877  0.08145692
   0.37052147  0.66342331  0.27810030
   0.13611383  0.81799195  0.05989983
   0.41298953  0.94651882  0.33885282
   0.45825211  0.85530122  0.15945674
   0.20793845  0.84928962  0.24009648
   0.29148223  0.61099795  0.45176520
   0.04570159  0.62034265  0.39026114
   0.09449112  0.53984411  0.57759093
   0.34021356  0.70641686  0.78254923
   0.11032129  0.78875360  0.51316914
   0.38627206  0.96065520  0.83340542
   0.48937913  0.84284681  0.67369326
   0.19872663  0.83650527  0.69323762
   0.31191186  0.64823220 -0.02100825
   0.06700188  0.64767076  0.91013081
   0.59940416  0.07593863  0.10934563
   0.84227045  0.19796018  0.30627871
   0.65274539  0.32141320  0.01806890
   0.85527266  0.45162057  0.34067827
   0.04709939  0.33604686  0.20127786
   0.78942692  0.38863049  0.17992225
   0.81873493  0.11617252  0.49058061
   0.56137928  0.15065630  0.42516430
   0.63043914  0.04931190  0.60790308
   0.87905544  0.20179060  0.81894759
   0.66160730  0.30564568  0.56178302
   0.87068157  0.44594595  0.85792776
   0.93756820  0.36703410  0.64771953
   0.70965789  0.45273457  0.72222509
   0.80832238  0.09160710  0.98398427
   0.57876462  0.13056843  0.90224760
   0.62239575  0.57645740  0.09496021
   0.82837542  0.69589468  0.29937907
   0.65797206  0.83978293  0.03668480
   0.88043524  0.94168902  0.36296684
   0.94675648  0.86328929  0.18224907
   0.69842131  0.89621200  0.22884538
   0.80505109  0.65551712  0.47253765
   0.56883876  0.59155270  0.39883504
   0.59887648  0.57198920  0.57842115
   0.84305724  0.69114359  0.78637601
   0.58231690  0.83362948  0.46346470
   0.93449995  0.93175552  0.84753293
   0.94232719  0.86204978  0.65299433
   0.71061596  0.89599862  0.75464949
   0.80454369  0.65506776  0.97284416
   0.54497883  0.66440888  0.91323475
   0.71039523  0.77721472  0.59809852
   0.64625502  0.90354731  0.44076995
   0.86887607  0.19339913  0.12208321
   0.79116501  0.47811062  0.28697934
   0.31664088  0.03581315  0.67648316
   0.25268042  0.67849153  0.76028032
   0.10133659  1.04650913  0.24351228
   0.15167155  0.97095476 -0.03496972
   0.69184491  0.24399018  0.75924025
   0.87390302  0.34577048  0.58628583
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982479   -0.261756   -0.038367
    -0.000000    9.965159   -0.059702
    -0.000000   -0.000000   13.754441
   Si   O    H 
    32    64    10
Direct configuration=   114
   0.19509021  0.13347584  0.00436199
   0.42005654  0.09374322  0.37800558
   0.16164090  0.39939984  0.12461114
   0.40934714  0.33665580  0.25019988
   0.16608524  0.13916696  0.49621175
   0.42467359  0.11147494  0.88161184
   0.09478401  0.38716933  0.62021665
   0.34646977  0.35340587  0.75316012
   0.15974625  0.66599547  0.00992200
   0.40759747  0.57672857  0.37463482
   0.10566201  0.91499458  0.15852491
   0.36810292  0.82530021  0.26106610
   0.13491095  0.63293171  0.48549498
   0.39154010  0.61025243  0.87838568
   0.10023511  0.87340118  0.61039065
   0.35665818  0.90758077  0.72446779
   0.66319425  0.15283892  1.00260288
   0.90566356  0.09094912  0.39044019
   0.65859141  0.41319285  0.11557362
   0.89296755  0.27457366  0.20593491
   0.66445778  0.15810375  0.51657910
   0.91421928  0.08262622  0.89496698
   0.60635863  0.42942815  0.62983565
   0.80586750  0.33659939  0.78206709
   0.64963318  0.67862863  0.00315728
   0.88665884  0.59866044  0.38337956
   0.60716814  0.91315302  0.13199235
   0.84066188  0.84558455  0.26633782
   0.64497899  0.68393578  0.49413720
   0.89747682  0.61407408  0.88259719
   0.64028890  0.89335710  0.64832049
   0.86639829  0.85465268  0.76042343
   0.14333367  0.06002873  0.10898221
   0.39169163  0.18656925  0.28256192
   0.20087877  0.29033766  0.03938647
   0.39302429  0.40649989  0.35377026
   0.54332287  0.35962148  0.18704907
   0.28823133  0.41010007  0.19333140
   0.31322872  0.09654689  0.47000905
   0.06394946  0.13309935  0.40475381
   0.10960896  0.02769676  0.56845635
   0.35769963  0.20708990  0.80033466
   0.14848224  0.29899166  0.53307403
   0.39048040  0.44801279  0.85045107
   0.45913206  0.37662946  0.67064587
   0.19687124  0.36990999  0.71554749
   0.35119682  0.11345292 -0.01430566
   0.05685715  0.13888901  0.93563276
   0.12433908  0.54803896  0.08080849
   0.37093890  0.66234552  0.27834613
   0.13532964  0.81808896  0.05951174
   0.41385656  0.94760370  0.33885804
   0.45644086  0.85445059  0.15977812
   0.20594727  0.84806871  0.23952282
   0.29045151  0.60930031  0.45098468
   0.04556941  0.62064473  0.39078200
   0.09634656  0.53973457  0.57805347
   0.33989976  0.70702777  0.78169117
   0.11134965  0.78784510  0.51192872
   0.38633981  0.96108992  0.83409435
   0.49028131  0.84311580  0.67385128
   0.19822744  0.83603521  0.69392403
   0.31142989  0.64599058 -0.02142812
   0.06745576  0.64715398  0.91093483
   0.59972803  0.07541818  0.10809576
   0.84026547  0.19739673  0.30566526
   0.65347411  0.32280879  0.01868138
   0.85503059  0.45346240  0.33937624
   0.04766480  0.33621701  0.20110341
   0.79029216  0.38914659  0.17985486
   0.81961411  0.11490068  0.49085994
   0.55975840  0.14868979  0.42338202
   0.62955058  0.04755876  0.60680865
   0.88028675  0.19996403  0.81818758
   0.66219712  0.30522004  0.56076776
   0.86831985  0.44683905  0.85919443
   0.93897891  0.36673184  0.64721308
   0.71160041  0.45334516  0.72248308
   0.80708756  0.09116722  0.98337550
   0.57808552  0.12924492  0.90211565
   0.62213801  0.57810916  0.09459241
   0.82975956  0.69418427  0.29844204
   0.65638262  0.83895727  0.03544719
   0.87954985  0.94047764  0.36380057
   0.94650938  0.86467359  0.18246848
   0.69652871  0.89532269  0.22869091
   0.80554515  0.65596385  0.47182548
   0.56710006  0.59058350  0.39879299
   0.59790453  0.57305949  0.57793272
   0.84262141  0.69270728  0.78644267
   0.58454711  0.83701773  0.46356203
   0.93443677  0.93115458  0.84805810
   0.94469181  0.86092553  0.65330088
   0.71084662  0.89741638  0.75517804
   0.80376378  0.65613082  0.97242141
   0.54480221  0.66427550  0.91439011
   0.70852019  0.77759624  0.59720887
   0.64604786  0.89835972  0.44491744
   0.87578172  0.19611933  0.12721369
   0.78670774  0.47191396  0.28399110
   0.31518922  0.03393393  0.68009127
   0.24963590  0.67121077  0.76114466
   0.10450959  1.04165164  0.24610107
   0.14935618  0.96850166 -0.03731877
   0.68036825  0.24558021  0.75823167
   0.87691877  0.34474069  0.59204979
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985131   -0.263968   -0.037612
    -0.000000    9.966864   -0.059011
    -0.000000   -0.000000   13.755485
   Si   O    H 
    32    64    10
Direct configuration=   115
   0.19479954  0.13215042  0.00304679
   0.41978230  0.09401291  0.37843407
   0.16214545  0.40017450  0.12475065
   0.40950855  0.33636440  0.25039030
   0.16799444  0.14033790  0.49640029
   0.42287108  0.11123585  0.88225075
   0.09555099  0.38791841  0.62133861
   0.34596240  0.35303285  0.75345782
   0.15979922  0.66539863  0.01058794
   0.40720751  0.57744165  0.37500324
   0.10559911  0.91526013  0.15882266
   0.36665447  0.82358418  0.26054006
   0.13423016  0.63320721  0.48482103
   0.39184739  0.61038138  0.87827699
   0.10164643  0.87280787  0.61003228
   0.35827364  0.90749061  0.72451762
   0.66358084  0.15332991  1.00252498
   0.90527551  0.09219084  0.38971379
   0.65718691  0.41394801  0.11612716
   0.89301694  0.27406034  0.20633857
   0.66438562  0.15851422  0.51624907
   0.91272096  0.08385952  0.89538919
   0.60843302  0.43019079  0.62938221
   0.80595138  0.33494457  0.78105282
   0.64925927  0.67798205  0.00410663
   0.88615481  0.59919196  0.38435705
   0.60614985  0.91237954  0.13064604
   0.84076577  0.84640754  0.26684140
   0.64512634  0.68350711  0.49380305
   0.89886226  0.61400988  0.88242901
   0.64064151  0.89281047  0.64705763
   0.86629877  0.85400410  0.75992566
   0.14300623  0.06047936  0.10790862
   0.39111177  0.18495560  0.28300979
   0.20111270  0.28896374  0.03952077
   0.39175315  0.40759319  0.35353480
   0.54275886  0.35963648  0.18737996
   0.28915955  0.41109893  0.19281278
   0.31395541  0.09790991  0.47004067
   0.06347665  0.13296224  0.40358023
   0.10932198  0.02832825  0.56902066
   0.35769188  0.20585824  0.80196116
   0.14949061  0.29859256  0.53404833
   0.39141754  0.44687432  0.85010521
   0.45817123  0.37732191  0.67087541
   0.19607260  0.36963061  0.71426644
   0.35222764  0.11398066 -0.01378620
   0.05594712  0.13731621  0.93679860
   0.12683771  0.54684991  0.08058923
   0.37138120  0.66158158  0.27815015
   0.13476017  0.81743566  0.05876507
   0.41441193  0.94689711  0.33848724
   0.45483912  0.85409617  0.16058101
   0.20443310  0.84628020  0.23892368
   0.29013221  0.60745449  0.45009163
   0.04587551  0.62036812  0.39168607
   0.09842900  0.53996389  0.57847338
   0.33924375  0.70741399  0.78123129
   0.11198087  0.78716457  0.51148114
   0.38633622  0.96084783  0.83466570
   0.49034623  0.84371776  0.67355303
   0.19804259  0.83589074  0.69489132
   0.31155041  0.64485138 -0.02147295
   0.06647270  0.64660890  0.91133474
   0.60056793  0.07440152  0.10680877
   0.83901971  0.19599406  0.30535227
   0.65408623  0.32404089  0.01920269
   0.85416705  0.45476614  0.33777995
   0.04822289  0.33634550  0.20047256
   0.79084427  0.38998453  0.17979623
   0.81989167  0.11471846  0.49084850
   0.55936297  0.14690781  0.42185715
   0.62948962  0.04687131  0.60561665
   0.88112659  0.19744214  0.81735072
   0.66329656  0.30477375  0.55958025
   0.86589470  0.44785686  0.86063263
   0.94035949  0.36607231  0.64786440
   0.71233240  0.45331256  0.72227364
   0.80631906  0.09072124  0.98271036
   0.57808828  0.12805893  0.90160595
   0.62220890  0.57920241  0.09409551
   0.83021382  0.69222692  0.29761866
   0.65444968  0.83730770  0.03412190
   0.87910622  0.94028335  0.36369514
   0.94698623  0.86555560  0.18217846
   0.69459739  0.89498792  0.22845763
   0.80632123  0.65556324  0.47123482
   0.56571826  0.59052384  0.39978234
   0.59678272  0.57375799  0.57699501
   0.84271490  0.69434039  0.78668753
   0.58587485  0.83944331  0.46379873
   0.93487545  0.93100148  0.84891411
   0.94647132  0.85955406  0.65444799
   0.71142892  0.89877921  0.75618379
   0.80334307  0.65654847  0.97236492
   0.54466815  0.66422531  0.91510750
   0.70068325  0.77801547  0.59575346
   0.66030838  0.90183330  0.44733234
   0.87706777  0.18927414  0.12452743
   0.78653670  0.46364996  0.28695621
   0.31283485  0.03650728  0.68306381
   0.25253875  0.66783837  0.76240719
   0.10434273  1.03774364  0.24719865
   0.14817683  0.96624600 -0.03987716
   0.67138481  0.24711793  0.75777336
   0.88014877  0.34402530  0.59906421
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987458   -0.265984   -0.037154
    -0.000000    9.969086   -0.058042
    -0.000000   -0.000000   13.756875
   Si   O    H 
    32    64    10
Direct configuration=   116
   0.19360930  0.13091152  0.00205997
   0.41912010  0.09436042  0.37859115
   0.16255251  0.40077728  0.12503661
   0.40937264  0.33684426  0.25041165
   0.16931899  0.14147716  0.49667650
   0.42108194  0.11035044  0.88295471
   0.09720734  0.38873255  0.62199586
   0.34590479  0.35279357  0.75453772
   0.15972050  0.66554438  0.01093501
   0.40716062  0.57724054  0.37570499
   0.10519403  0.91584461  0.15901408
   0.36473174  0.82233146  0.25981103
   0.13387601  0.63356196  0.48463817
   0.39210009  0.61116184  0.87838647
   0.10268332  0.87263361  0.60984350
   0.35963638  0.90788771  0.72432082
   0.66380258  0.15329689  1.00243835
   0.90492244  0.09339305  0.38907517
   0.65571885  0.41555614  0.11609580
   0.89278542  0.27325427  0.20668220
   0.66443962  0.15891105  0.51619637
   0.91087840  0.08524721  0.89580594
   0.61049261  0.43056777  0.62910361
   0.80639637  0.33405345  0.78015305
   0.64916592  0.67746844  0.00503096
   0.88566114  0.60004847  0.38509995
   0.60483947  0.91119000  0.12895642
   0.84074227  0.84752132  0.26728754
   0.64557207  0.68224526  0.49385073
   0.90055546  0.61379597  0.88211197
   0.64106214  0.89234221  0.64564258
   0.86596701  0.85274896  0.75912724
   0.14250501  0.06023993  0.10692634
   0.39042642  0.18338909  0.28316051
   0.20101627  0.28835021  0.04021504
   0.39116354  0.40912054  0.35373841
   0.54242612  0.35972732  0.18761901
   0.29038650  0.41194767  0.19252640
   0.31517692  0.09898945  0.47033211
   0.06373490  0.13273864  0.40218836
   0.10826304  0.02878083  0.56993620
   0.35775779  0.20377134  0.80352980
   0.15092227  0.29770074  0.53475994
   0.39159058  0.44559767  0.84986802
   0.45794868  0.37766275  0.67077333
   0.19538710  0.36984243  0.71266042
   0.35301595  0.11459100 -0.01364015
   0.05486516  0.13559606  0.93749115
   0.12961990  0.54502936  0.08045842
   0.37199277  0.66108582  0.27836084
   0.13466876  0.81618797  0.05762124
   0.41497020  0.94623848  0.33757637
   0.45386509  0.85401701  0.16108927
   0.20391990  0.84451923  0.23769695
   0.28897297  0.60604147  0.44922650
   0.04569393  0.61974527  0.39286174
   0.10050119  0.53980732  0.57890204
   0.33923789  0.70777418  0.78089509
   0.11368381  0.78695667  0.51038110
   0.38620793  0.96084017  0.83513297
   0.49052023  0.84498885  0.67301807
   0.19865202  0.83507961  0.69628091
   0.31197800  0.64504167 -0.02185225
   0.06628192  0.64600979  0.91119007
   0.60117829  0.07357707  0.10576885
   0.83872007  0.19418327  0.30473116
   0.65556300  0.32474227  0.01965521
   0.85366803  0.45646380  0.33670007
   0.04912628  0.33670218  0.20005052
   0.79206793  0.39138349  0.17910001
   0.82017220  0.11480784  0.49072317
   0.55976155  0.14515091  0.42085376
   0.62945788  0.04644470  0.60433862
   0.88213647  0.19564117  0.81645554
   0.66472837  0.30547741  0.55861955
   0.86430522  0.44904706  0.86186656
   0.94114014  0.36547096  0.64866435
   0.71351705  0.45272760  0.72224160
   0.80617458  0.08955551  0.98228363
   0.57831834  0.12689361  0.90101289
   0.62220754  0.58016579  0.09379284
   0.83061834  0.69015072  0.29636065
   0.65244725  0.83503600  0.03274325
   0.87858917  0.93960111  0.36375750
   0.94763620  0.86739143  0.18150146
   0.69360541  0.89563734  0.22838478
   0.80624785  0.65478677  0.47123390
   0.56483871  0.59168671  0.40101619
   0.59573732  0.57436401  0.57647960
   0.84375615  0.69548553  0.78690513
   0.58654735  0.84143943  0.46401026
   0.93559712  0.93157687  0.84975181
   0.94709374  0.85803119  0.65552852
   0.71308762  0.89974185  0.75676653
   0.80229920  0.65729744  0.97235680
   0.54410855  0.66386164  0.91533862
   0.69610930  0.77580376  0.58919970
   0.67280043  0.90562356  0.45184911
   0.87839790  0.18034798  0.12020465
   0.78464439  0.45568697  0.29123449
   0.31153009  0.04237088  0.68608137
   0.25378891  0.67191406  0.76124860
   0.10582996  1.03529122  0.24811908
   0.15160908  0.96528760 -0.04261498
   0.67127585  0.24766473  0.75954048
   0.87748839  0.33548155  0.59777092
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989905   -0.268677   -0.036488
    -0.000000    9.971038   -0.056828
    -0.000000   -0.000000   13.758542
   Si   O    H 
    32    64    10
Direct configuration=   117
   0.19237908  0.13006720  0.00155588
   0.41883773  0.09452174  0.37863402
   0.16310115  0.40060628  0.12492019
   0.40903141  0.33690744  0.25103262
   0.16987526  0.14310281  0.49734791
   0.41938182  0.10908482  0.88352959
   0.09915464  0.38952274  0.62219809
   0.34615815  0.35265675  0.75537002
   0.15955646  0.66600734  0.01113020
   0.40704544  0.57662862  0.37615486
   0.10479415  0.91677660  0.15894307
   0.36259952  0.82174546  0.25916685
   0.13407200  0.63358871  0.48461282
   0.39289423  0.61146499  0.87862832
   0.10309328  0.87277191  0.60942481
   0.36066362  0.90863519  0.72396684
   0.66340658  0.15357871  1.00245950
   0.90418739  0.09510184  0.38879931
   0.65425805  0.41661990  0.11602076
   0.89229798  0.27247009  0.20691416
   0.66433454  0.15853309  0.51619478
   0.90980628  0.08640360  0.89667366
   0.61204881  0.43026754  0.62893518
   0.80649441  0.33345905  0.77916281
   0.64861306  0.67626502  0.00562573
   0.88543854  0.60157819  0.38560875
   0.60343312  0.91069032  0.12752932
   0.84097767  0.84894201  0.26756758
   0.64536022  0.68167277  0.49411169
   0.90189822  0.61310695  0.88240737
   0.64097360  0.89126904  0.64443748
   0.86655846  0.85199202  0.75798828
   0.14244113  0.05976805  0.10648619
   0.38950497  0.18196862  0.28358707
   0.20093360  0.28927486  0.04097600
   0.39063869  0.41076860  0.35445584
   0.54213035  0.35983027  0.18782050
   0.29232563  0.41325653  0.19247707
   0.31688872  0.10009350  0.47094674
   0.06359998  0.13251876  0.40120381
   0.10809482  0.02919602  0.57096068
   0.35764747  0.20268326  0.80480919
   0.15313496  0.29711185  0.53506965
   0.39226998  0.44500379  0.84960429
   0.45757432  0.37802146  0.67039597
   0.19486620  0.36999218  0.71119743
   0.35387462  0.11499450 -0.01311855
   0.05365983  0.13429456  0.93876202
   0.13310839  0.54423309  0.08020366
   0.37203159  0.66104595  0.27859880
   0.13519472  0.81545618  0.05614827
   0.41586866  0.94546732  0.33660984
   0.45311784  0.85427837  0.16169147
   0.20362506  0.84221046  0.23669523
   0.28835697  0.60536235  0.44884044
   0.04635999  0.61870353  0.39326858
   0.10242527  0.54100111  0.57932307
   0.33992773  0.70787797  0.78091267
   0.11529276  0.78651150  0.50942406
   0.38590115  0.96097909  0.83540294
   0.49067930  0.84731814  0.67226640
   0.20031377  0.83532997  0.69730885
   0.31264303  0.64562910 -0.02200552
   0.06646125  0.64486799  0.91106561
   0.60211581  0.07345536  0.10476942
   0.83958635  0.19200191  0.30345035
   0.65695643  0.32516867  0.01981484
   0.85387099  0.45775850  0.33609552
   0.04978982  0.33647906  0.19957914
   0.79310077  0.39266089  0.17853751
   0.82020860  0.11555879  0.49017673
   0.56109351  0.14381053  0.42036874
   0.62934522  0.04631898  0.60267827
   0.88353891  0.19484804  0.81529791
   0.66539456  0.30725843  0.55783242
   0.86427398  0.45052890  0.86310339
   0.94129953  0.36477150  0.64930803
   0.71528366  0.45308407  0.72171247
   0.80695080  0.08837735  0.98258987
   0.57902284  0.12640894  0.90077257
   0.62213125  0.58014088  0.09457736
   0.83159834  0.68873597  0.29428579
   0.65068621  0.83271583  0.03094716
   0.87814857  0.93772199  0.36343284
   0.94831947  0.86965919  0.18037943
   0.69303976  0.89571005  0.22827968
   0.80562722  0.65421246  0.47110719
   0.56541127  0.59316130  0.40241874
   0.59552670  0.57486465  0.57590325
   0.84454554  0.69738111  0.78666865
   0.58736745  0.84311504  0.46428081
   0.93625564  0.93298074  0.85027651
   0.94797928  0.85668626  0.65637104
   0.71552250  0.90144102  0.75767650
   0.80154351  0.65849026  0.97188384
   0.54369100  0.66313733  0.91574056
   0.69341487  0.77512451  0.58272754
   0.67461437  0.90128411  0.45918516
   0.88274311  0.17384296  0.12009350
   0.77512311  0.44859800  0.29195376
   0.31230453  0.04591433  0.68922789
   0.25093493  0.67784158  0.75955856
   0.10321077  1.03806701  0.24682933
   0.15782588  0.96468398 -0.04264274
   0.67712798  0.24846074  0.76282765
   0.87885521  0.32786209  0.59663595
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992389   -0.271396   -0.035956
    -0.000000    9.972472   -0.055903
    -0.000000   -0.000000   13.760347
   Si   O    H 
    32    64    10
Direct configuration=   118
   0.19134560  0.12904100  0.00118567
   0.41831209  0.09489917  0.37854103
   0.16397762  0.40083313  0.12456806
   0.40841308  0.33697701  0.25179437
   0.16956071  0.14454708  0.49798052
   0.41800625  0.10719063  0.88416141
   0.10070297  0.39033641  0.62199776
   0.34727423  0.35318099  0.75622829
   0.15931968  0.66665512  0.01142570
   0.40709358  0.57538637  0.37609046
   0.10399632  0.91723468  0.15913188
   0.36079753  0.82148272  0.25865192
   0.13497535  0.63305882  0.48467107
   0.39360527  0.61160924  0.87896950
   0.10322257  0.87389110  0.60947567
   0.36147422  0.90983384  0.72406044
   0.66311360  0.15432139  1.00267164
   0.90307411  0.09676436  0.38882458
   0.65311789  0.41687864  0.11608645
   0.89235094  0.27165250  0.20664090
   0.66406893  0.15780641  0.51567836
   0.90940924  0.08693835  0.89708414
   0.61288840  0.43002920  0.62884404
   0.80653118  0.33262790  0.77808513
   0.64806366  0.67528922  0.00590565
   0.88576411  0.60219640  0.38586348
   0.60219967  0.91044619  0.12665434
   0.84096759  0.84976807  0.26802937
   0.64508372  0.68110903  0.49417412
   0.90356268  0.61257189  0.88265226
   0.64128416  0.89061149  0.64332865
   0.86781407  0.85148074  0.75690799
   0.14308366  0.05957879  0.10605019
   0.38880527  0.18033263  0.28325919
   0.20111291  0.29033766  0.04163735
   0.39081416  0.41296106  0.35521026
   0.54170016  0.35951202  0.18797076
   0.29444242  0.41462946  0.19183782
   0.31777544  0.10082646  0.47118905
   0.06314954  0.13256610  0.40023709
   0.10769659  0.02939623  0.57169455
   0.35734263  0.20245307  0.80556381
   0.15536829  0.29644641  0.53522854
   0.39221373  0.44451539  0.84883629
   0.45790450  0.37860362  0.66962060
   0.19438053  0.36954262  0.71040554
   0.35502144  0.11600833 -0.01217744
   0.05261968  0.13424228  0.93988112
   0.13552979  0.54347931  0.08032513
   0.37335948  0.66112915  0.27953937
   0.13529630  0.81500626  0.05463835
   0.41646603  0.94371212  0.33513396
   0.45267916  0.85390431  0.16252034
   0.20305864  0.83982181  0.23558398
   0.28798557  0.60505057  0.44819573
   0.04608456  0.61793470  0.39319594
   0.10393989  0.54225157  0.57937469
   0.34153151  0.70822615  0.78049542
   0.11630966  0.78686846  0.50879603
   0.38738929  0.96121088  0.83619276
   0.49007932  0.84875390  0.67133238
   0.20189082  0.83518255  0.69801512
   0.31321742  0.64714886 -0.02230267
   0.06682356  0.64353591  0.91127388
   0.60287994  0.07357628  0.10374850
   0.83981749  0.18978554  0.30260912
   0.65774850  0.32562232  0.01986362
   0.85364441  0.45894491  0.33630803
   0.04958816  0.33504799  0.19950679
   0.79386195  0.39338098  0.17811200
   0.81916447  0.11648889  0.48972311
   0.56238127  0.14341255  0.41987198
   0.62898494  0.04714506  0.60052307
   0.88452779  0.19457489  0.81352224
   0.66577784  0.30903970  0.55709764
   0.86558450  0.45206907  0.86339390
   0.93987765  0.36296496  0.65011950
   0.71715484  0.45268991  0.72072156
   0.80759446  0.08726889  0.98321479
   0.57932597  0.12544421  0.90024769
   0.62234140  0.58031159  0.09526219
   0.83346668  0.68865977  0.29196612
   0.64916616  0.83105827  0.02950627
   0.87812669  0.93611529  0.36250368
   0.94861081  0.87226156  0.17845680
   0.69225640  0.89532159  0.22821303
   0.80443978  0.65388993  0.47236098
   0.56572573  0.59469763  0.40270100
   0.59497783  0.57501431  0.57540333
   0.84560487  0.69810283  0.78613937
   0.58932313  0.84445160  0.46436654
   0.93641913  0.93473583  0.85063041
   0.94899093  0.85587298  0.65746080
   0.71727741  0.90427176  0.75870434
   0.80092024  0.65922258  0.97180622
   0.54370598  0.66239604  0.91654303
   0.69283923  0.77813226  0.58070006
   0.66388135  0.89091956  0.46598657
   0.88725446  0.16777078  0.12350376
   0.76566415  0.44353099  0.29281332
   0.31436682  0.04679203  0.68983786
   0.24779543  0.68825305  0.75627870
   0.09825686  1.03885985  0.24487492
   0.16382289  0.96758336 -0.04405886
   0.68258972  0.24651723  0.76623330
   0.88482424  0.32255041  0.60019231
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994730   -0.273941   -0.035918
    -0.000000    9.973787   -0.055201
    -0.000000   -0.000000   13.762015
   Si   O    H 
    32    64    10
Direct configuration=   119
   0.18971803  0.12819805  0.00095019
   0.41759377  0.09524946  0.37790598
   0.16464999  0.40066124  0.12411612
   0.40740853  0.33690568  0.25258691
   0.16921440  0.14507208  0.49851905
   0.41731495  0.10565408  0.88483944
   0.10199165  0.39089622  0.62152982
   0.34811121  0.35360747  0.75716110
   0.15846134  0.66699878  0.01179047
   0.40727733  0.57488790  0.37633114
   0.10322986  0.91823631  0.15932125
   0.35950054  0.82152478  0.25815083
   0.13606850  0.63249838  0.48525868
   0.39447879  0.61185255  0.87946168
   0.10295331  0.87466000  0.60963857
   0.36189408  0.91112785  0.72467758
   0.66304953  0.15539874  1.00297991
   0.90277732  0.09766945  0.38943229
   0.65238851  0.41781470  0.11646073
   0.89304471  0.27083537  0.20629788
   0.66347103  0.15758792  0.51552146
   0.90972526  0.08743554  0.89759615
   0.61323455  0.42950280  0.62905887
   0.80606202  0.33211786  0.77715908
   0.64769867  0.67502950  0.00625206
   0.88602676  0.60255021  0.38596940
   0.60096135  0.91096121  0.12619481
   0.83989363  0.85089441  0.26837958
   0.64471304  0.68036093  0.49392835
   0.90494671  0.61197794  0.88259741
   0.64200063  0.89000703  0.64288592
   0.86950869  0.85148075  0.75635871
   0.14419431  0.05891265  0.10588977
   0.38871658  0.17974353  0.28316225
   0.20145081  0.29171457  0.04182280
   0.39119285  0.41540689  0.35598843
   0.54040079  0.35915465  0.18823275
   0.29732480  0.41575982  0.19074030
   0.31875204  0.10080813  0.47158115
   0.06283915  0.13267197  0.40011320
   0.10669468  0.03009083  0.57283949
   0.35703098  0.20242297  0.80601764
   0.15734380  0.29676134  0.53540146
   0.39222871  0.44477643  0.84807619
   0.45819181  0.38010000  0.66920113
   0.19408069  0.36917889  0.70996872
   0.35591224  0.11625581 -0.01167141
   0.05119053  0.13382082  0.94125062
   0.13725739  0.54288540  0.08095201
   0.37408883  0.66064743  0.28045682
   0.13534258  0.81446644  0.05339172
   0.41675228  0.94080837  0.33372839
   0.45199945  0.85332697  0.16251237
   0.20268362  0.83834670  0.23535390
   0.28787907  0.60498754  0.44796262
   0.04473028  0.61667311  0.39299317
   0.10627896  0.54322063  0.57987777
   0.34261127  0.70829853  0.77990529
   0.11752901  0.78814067  0.50866812
   0.38836586  0.96013111  0.83696235
   0.48936249  0.84935707  0.67056189
   0.20300913  0.83519593  0.69891098
   0.31396979  0.64821515 -0.02268058
   0.06646346  0.64265440  0.91161078
   0.60283651  0.07426120  0.10206270
   0.84022394  0.18875005  0.30193346
   0.65769652  0.32599748  0.01929184
   0.85304201  0.45926029  0.33706724
   0.05056326  0.33467738  0.19957305
   0.79371058  0.39498292  0.17747456
   0.81717517  0.11760610  0.48988352
   0.56329351  0.14332687  0.42035724
   0.62906131  0.04778970  0.59899234
   0.88630280  0.19417390  0.81186675
   0.66643808  0.31077629  0.55647083
   0.86681646  0.45320925  0.86324857
   0.93831992  0.36150958  0.65092002
   0.71931573  0.45153063  0.71929147
   0.80734885  0.08651658  0.98434572
   0.57994241  0.12478773  0.89941968
   0.62268823  0.58036980  0.09603071
   0.83501926  0.68990636  0.29002898
   0.64800975  0.83069659  0.02902914
   0.87812720  0.93498744  0.36161583
   0.94823062  0.87507489  0.17671132
   0.69150065  0.89529659  0.22832146
   0.80357646  0.65379937  0.47344433
   0.56563787  0.59665874  0.40319934
   0.59462103  0.57485981  0.57529961
   0.84698163  0.69826703  0.78559912
   0.58941606  0.84464680  0.46375633
   0.93598546  0.93641292  0.85115854
   0.95080720  0.85521886  0.65880479
   0.71890096  0.90691964  0.75924227
   0.80071030  0.66014315  0.97150340
   0.54381865  0.66230826  0.91738659
   0.69297324  0.78675656  0.58289293
   0.66928537  0.89116185  0.46873660
   0.89031800  0.17038011  0.12869557
   0.76790505  0.44363652  0.29789611
   0.31671816  0.04564732  0.69220917
   0.24489270  0.69725500  0.75333040
   0.09253109  1.03950577  0.24513311
   0.17150379  0.97352870 -0.04317891
   0.68904217  0.23939988  0.76972134
   0.88960464  0.31566404  0.59850678
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997046   -0.276349   -0.036708
    -0.000000    9.974927   -0.054779
    -0.000000   -0.000000   13.763382
   Si   O    H 
    32    64    10
Direct configuration=   120
   0.18792280  0.12773362  0.00108390
   0.41714721  0.09522387  0.37708120
   0.16478591  0.39982594  0.12393870
   0.40685673  0.33699973  0.25298775
   0.16750857  0.14586637  0.49848599
   0.41722402  0.10399534  0.88554201
   0.10314879  0.39166060  0.62064954
   0.34867699  0.35368301  0.75810607
   0.15762131  0.66755703  0.01182018
   0.40757187  0.57445800  0.37657591
   0.10318844  0.91889154  0.15857079
   0.35896569  0.82167156  0.25772990
   0.13767542  0.63191807  0.48545117
   0.39491743  0.61257718  0.87901658
   0.10296286  0.87611398  0.60990621
   0.36224947  0.91221452  0.72525814
   0.66317365  0.15662730  1.00289414
   0.90220567  0.09843055  0.38971444
   0.65201042  0.41922204  0.11675469
   0.89412456  0.27052309  0.20610413
   0.66259931  0.15696018  0.51585802
   0.91036962  0.08776524  0.89748854
   0.61288128  0.42919229  0.62958248
   0.80575222  0.33245024  0.77645088
   0.64769621  0.67484458  0.00637464
   0.88659826  0.60225090  0.38552488
   0.60008750  0.91169304  0.12584059
   0.83909246  0.85164212  0.26905009
   0.64423037  0.67949836  0.49372539
   0.90648214  0.61149518  0.88252076
   0.64298118  0.88947795  0.64269671
   0.87076769  0.85136139  0.75598942
   0.14514961  0.05808021  0.10561549
   0.38845259  0.17932231  0.28304378
   0.20209887  0.29333073  0.04213397
   0.39194537  0.41715710  0.35699242
   0.53921880  0.35861717  0.18885089
   0.29983519  0.41632720  0.18946453
   0.31924736  0.10071600  0.47159706
   0.06285132  0.13302151  0.40017551
   0.10643242  0.03114645  0.57396367
   0.35690181  0.20309111  0.80661796
   0.15871873  0.29740003  0.53544651
   0.39211611  0.44652563  0.84793377
   0.45845945  0.38075663  0.66873598
   0.19590311  0.36894388  0.71045992
   0.35626818  0.11644349 -0.01117777
   0.05001782  0.13309645  0.94201415
   0.13914665  0.54279392  0.08164714
   0.37497532  0.66024409  0.28141000
   0.13534098  0.81441753  0.05258214
   0.41704262  0.93782166  0.33294521
   0.45167989  0.85240275  0.16227745
   0.20186354  0.83661273  0.23548466
   0.28744393  0.60447696  0.44780882
   0.04341163  0.61460504  0.39301484
   0.10833127  0.54450958  0.58058092
   0.34375027  0.70861517  0.77984088
   0.11862957  0.79024643  0.50844266
   0.38937445  0.95822098  0.83770206
   0.48872563  0.85008098  0.66937571
   0.20362389  0.83467242  0.69933476
   0.31422925  0.64759485 -0.02280959
   0.06566955  0.64183403  0.91173638
   0.60371702  0.07564357  0.10032631
   0.84088037  0.18753537  0.30231354
   0.65744132  0.32532624  0.01809860
   0.85199690  0.45953637  0.33827093
   0.05152181  0.33532114  0.19927150
   0.79250537  0.39594698  0.17684563
   0.81501103  0.11873605  0.48989561
   0.56417423  0.14310164  0.42061621
   0.62915515  0.04788340  0.59781702
   0.88850192  0.19366415  0.80998545
   0.66744835  0.31328589  0.55570815
   0.86815145  0.45389361  0.86349225
   0.93797687  0.36144872  0.65153645
   0.72135976  0.45024124  0.71747964
   0.80647957  0.08616865  0.98538263
   0.58032031  0.12333398  0.89892414
   0.62272512  0.57983455  0.09767028
   0.83706875  0.69069450  0.28827752
   0.64674919  0.83180169  0.02880184
   0.87793673  0.93431187  0.36099466
   0.94728984  0.87706486  0.17582056
   0.69043939  0.89492336  0.22859196
   0.80340468  0.65357657  0.47459372
   0.56520436  0.59887351  0.40400432
   0.59424364  0.57426063  0.57501924
   0.84853279  0.69737186  0.78502080
   0.58923478  0.84381805  0.46340163
   0.93582781  0.93710022  0.85185246
   0.95328407  0.85420817  0.65924014
   0.71910107  0.90926354  0.75908590
   0.80054161  0.66043259  0.97133750
   0.54344359  0.66187441  0.91805353
   0.69489280  0.79198958  0.58453106
   0.68122775  0.90130726  0.46866549
   0.89123297  0.17225529  0.13501283
   0.77704883  0.44725871  0.30741359
   0.31834650  0.04181053  0.69443146
   0.24647886  0.70334877  0.75501294
   0.09007591  1.04043160  0.24807017
   0.18017013  0.97897943 -0.04075840
   0.69209180  0.23029831  0.77404929
   0.89508056  0.31056422  0.59780899
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.998993   -0.278328   -0.037838
    -0.000000    9.975820   -0.054863
    -0.000000   -0.000000   13.764825
   Si   O    H 
    32    64    10
Direct configuration=   121
   0.18604429  0.12669598  0.00125817
   0.41680300  0.09475979  0.37676464
   0.16479627  0.39886753  0.12396229
   0.40717593  0.33682609  0.25356556
   0.16620331  0.14609432  0.49823734
   0.41731459  0.10256507  0.88583755
   0.10388074  0.39277155  0.61992411
   0.34912560  0.35346405  0.75896351
   0.15685174  0.66799678  0.01112840
   0.40768296  0.57392055  0.37662477
   0.10343333  0.91873567  0.15776963
   0.35861581  0.82198378  0.25703091
   0.13917582  0.63169205  0.48561084
   0.39497478  0.61336321  0.87848548
   0.10310284  0.87749988  0.60995624
   0.36238987  0.91254866  0.72580513
   0.66336536  0.15753904  1.00274370
   0.90140134  0.09950375  0.38980345
   0.65222847  0.42010308  0.11709966
   0.89538496  0.27128717  0.20607190
   0.66112610  0.15585747  0.51661742
   0.91117751  0.08774313  0.89736680
   0.61177156  0.42946528  0.63036902
   0.80577998  0.33249750  0.77578835
   0.64751229  0.67475295  0.00621867
   0.88690223  0.60241649  0.38472763
   0.59927511  0.91239924  0.12540221
   0.83855412  0.85205935  0.26912398
   0.64403132  0.67951647  0.49343600
   0.90810345  0.61121086  0.88209128
   0.64346980  0.88983004  0.64334579
   0.87174476  0.85084732  0.75582953
   0.14586123  0.05730380  0.10551861
   0.38787526  0.17940330  0.28313791
   0.20259252  0.29433922  0.04226812
   0.39307291  0.41786420  0.35780811
   0.53820340  0.35730721  0.18941945
   0.30131359  0.41746777  0.18827154
   0.32047288  0.10012073  0.47171119
   0.06257481  0.13296036  0.40068570
   0.10709778  0.03179195  0.57425426
   0.35642416  0.20381571  0.80721853
   0.16036714  0.29771108  0.53606729
   0.39210567  0.44916796  0.84748254
   0.45889625  0.38076806  0.66876165
   0.19826397  0.36845941  0.71113499
   0.35647986  0.11781665 -0.01105512
   0.04907749  0.13286755  0.94289508
   0.14099362  0.54267673  0.08229753
   0.37532980  0.66031912  0.28222962
   0.13558192  0.81416810  0.05227883
   0.41679391  0.93520497  0.33218946
   0.45095330  0.85227886  0.16151051
   0.20096743  0.83551507  0.23550990
   0.28670849  0.60450752  0.44782569
   0.04259655  0.61245204  0.39259014
   0.11015961  0.54581777  0.58135688
   0.34459580  0.70871843  0.77975097
   0.11956998  0.79245714  0.50852539
   0.39017614  0.95601079  0.83853518
   0.48865074  0.85151490  0.66851664
   0.20475798  0.83468011  0.69911052
   0.31490853  0.64728915 -0.02253541
   0.06509242  0.64126369  0.91174327
   0.60508198  0.07699418  0.09896867
   0.84167940  0.18692083  0.30308852
   0.65718299  0.32350532  0.01679302
   0.85113928  0.45940835  0.34024993
   0.05193380  0.33641117  0.19866128
   0.79109316  0.39706819  0.17680790
   0.81290948  0.11977287  0.48963363
   0.56563173  0.14282707  0.42100109
   0.62855472  0.04697873  0.59695999
   0.89111341  0.19369407  0.80839960
   0.66842650  0.31591208  0.55483005
   0.86965937  0.45413340  0.86352182
   0.93734368  0.36119905  0.65212570
   0.72343002  0.44983685  0.71511594
   0.80621979  0.08605612  0.98657958
   0.58059962  0.12216139  0.89877424
   0.62255620  0.57859350  0.09912494
   0.83880993  0.69189400  0.28738040
   0.64507474  0.83281663  0.02886833
   0.87779046  0.93483466  0.36058480
   0.94574493  0.87862993  0.17504452
   0.68916377  0.89414144  0.22829967
   0.80318251  0.65358418  0.47592718
   0.56458471  0.60117350  0.40475541
   0.59366719  0.57312059  0.57506639
   0.84996191  0.69622873  0.78495211
   0.58929260  0.84253296  0.46299401
   0.93506076  0.93804407  0.85298737
   0.95645105  0.85360981  0.65881678
   0.71913775  0.91183035  0.75843740
   0.80100860  0.66072983  0.97120943
   0.54293498  0.66168321  0.91841251
   0.70045300  0.78850493  0.58315436
   0.67607225  0.90317183  0.46535197
   0.89243360  0.16793600  0.13964032
   0.76847624  0.44929887  0.30505948
   0.31531507  0.04309833  0.69329945
   0.25367640  0.70672067  0.75854547
   0.08680608  1.04231340  0.25247498
   0.18705857  0.98338425 -0.03814580
   0.69215761  0.22042688  0.77921986
   0.90022942  0.30696489  0.59921662
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.000732   -0.280233   -0.039213
    -0.000000    9.976473   -0.054634
    -0.000000   -0.000000   13.766016
   Si   O    H 
    32    64    10
Direct configuration=   122
   0.18443082  0.12592552  0.00193916
   0.41660252  0.09406581  0.37635750
   0.16523227  0.39796931  0.12392211
   0.40718680  0.33674141  0.25421357
   0.16468427  0.14616817  0.49833382
   0.41755693  0.10116040  0.88595024
   0.10403409  0.39371960  0.61891959
   0.34925653  0.35321870  0.75925287
   0.15570041  0.66805637  0.01033507
   0.40791934  0.57359162  0.37678416
   0.10351680  0.91820094  0.15711649
   0.35836600  0.82165633  0.25670800
   0.14035825  0.63183368  0.48582359
   0.39502046  0.61375428  0.87816844
   0.10263748  0.87833189  0.60944442
   0.36197428  0.91222790  0.72623015
   0.66399976  0.15833641  1.00251920
   0.90070021  0.10000684  0.38966920
   0.65202261  0.42026874  0.11706755
   0.89621863  0.27232147  0.20608947
   0.65989731  0.15448695  0.51720796
   0.91234746  0.08770566  0.89702818
   0.61076133  0.42993684  0.63113646
   0.80588623  0.33237648  0.77550832
   0.64723715  0.67488005  0.00647263
   0.88693111  0.60248219  0.38448926
   0.59890034  0.91287854  0.12523428
   0.83785437  0.85283248  0.26885718
   0.64398518  0.67917909  0.49355964
   0.90916890  0.61136846  0.88148749
   0.64334847  0.89033696  0.64416632
   0.87283977  0.85055942  0.75625440
   0.14598506  0.05582147  0.10538160
   0.38763397  0.17994326  0.28353232
   0.20262530  0.29534528  0.04179720
   0.39413793  0.41782517  0.35795903
   0.53777453  0.35714286  0.18989990
   0.30222242  0.41822550  0.18755146
   0.32081371  0.09984396  0.47170206
   0.06217231  0.13335575  0.40162797
   0.10780378  0.03260766  0.57475352
   0.35639730  0.20454286  0.80727528
   0.16099584  0.29832884  0.53677976
   0.39233321  0.45196224  0.84699906
   0.45967433  0.38050995  0.66852623
   0.20081030  0.36942933  0.71154525
   0.35572352  0.11891274 -0.01126687
   0.04800027  0.13277821  0.94356623
   0.14156418  0.54314054  0.08253817
   0.37584358  0.65979318  0.28281019
   0.13577220  0.81424678  0.05274577
   0.41578572  0.93285633  0.33159756
   0.44967750  0.85221558  0.16036790
   0.19967255  0.83551393  0.23532544
   0.28600010  0.60487146  0.44817101
   0.04242289  0.61013821  0.39218767
   0.11152496  0.54688995  0.58193663
   0.34575426  0.70817952  0.78025873
   0.12016369  0.79465493  0.50881983
   0.39036457  0.95356299  0.83962190
   0.48810362  0.85163499  0.66769950
   0.20526802  0.83428018  0.69888152
   0.31513395  0.64757585 -0.02206415
   0.06417984  0.64005928  0.91186913
   0.60624403  0.07827744  0.09786974
   0.84250556  0.18642696  0.30382822
   0.65604123  0.32164327  0.01598397
   0.85145322  0.45837940  0.34264925
   0.05213462  0.33791328  0.19844532
   0.79023882  0.39787986  0.17674883
   0.81038060  0.12077892  0.48925008
   0.56755630  0.14265803  0.42167046
   0.62764787  0.04595738  0.59633292
   0.89409193  0.19382773  0.80712942
   0.66958906  0.31769176  0.55390907
   0.87060937  0.45448174  0.86257028
   0.93747493  0.36069498  0.65254928
   0.72457400  0.44962149  0.71315610
   0.80605040  0.08605079  0.98752242
   0.58035191  0.12076927  0.89870640
   0.62187775  0.57758481  0.10014364
   0.84056968  0.69378533  0.28726781
   0.64315192  0.83316175  0.02920495
   0.87849804  0.93525771  0.36066021
   0.94366199  0.87974839  0.17431421
   0.68745234  0.89368947  0.22767766
   0.80291902  0.65359177  0.47722523
   0.56541775  0.60318142  0.40490871
   0.59370755  0.57198784  0.57537773
   0.85176107  0.69441764  0.78460271
   0.58982251  0.84125142  0.46295043
   0.93424012  0.93848614  0.85342789
   0.95913252  0.85330595  0.65850694
   0.71895529  0.91431322  0.75713772
   0.80141745  0.66087552  0.97083613
   0.54253155  0.66177080  0.91847306
   0.70878253  0.78495876  0.58582230
   0.66414881  0.90083739  0.46034568
   0.89361987  0.16376782  0.13951060
   0.76095201  0.45134833  0.30332493
   0.31414308  0.04597064  0.68871335
   0.25633503  0.70883382  0.76011034
   0.08268260  1.04103769  0.25354119
   0.19133859  0.98284906 -0.03773564
   0.69018373  0.22071471  0.78373626
   0.90299238  0.30323485  0.59877277
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.002525   -0.281889   -0.040532
    -0.000000    9.976812   -0.054030
    -0.000000   -0.000000   13.767294
   Si   O    H 
    32    64    10
Direct configuration=   123
   0.18338997  0.12583170  0.00272385
   0.41674911  0.09362689  0.37684611
   0.16543826  0.39684079  0.12395570
   0.40679902  0.33666354  0.25480802
   0.16349533  0.14603232  0.49824031
   0.41787190  0.09996338  0.88591389
   0.10439995  0.39438556  0.61803442
   0.34889180  0.35376433  0.75909563
   0.15530039  0.66786200  0.00971305
   0.40849016  0.57368778  0.37688322
   0.10331696  0.91695950  0.15644788
   0.35852013  0.82100706  0.25627192
   0.14167697  0.63205729  0.48579397
   0.39536981  0.61401753  0.87753744
   0.10171484  0.87970959  0.60975492
   0.36147991  0.91199879  0.72664663
   0.66425618  0.15815433  1.00229546
   0.90022698  0.09996283  0.38973486
   0.65151102  0.42021906  0.11677683
   0.89723357  0.27322634  0.20614288
   0.65855641  0.15356089  0.51785781
   0.91271518  0.08784634  0.89674093
   0.61007333  0.43033260  0.63200397
   0.80660905  0.33217310  0.77555761
   0.64725647  0.67457893  0.00626183
   0.88641663  0.60325181  0.38421955
   0.59897457  0.91380365  0.12527677
   0.83703543  0.85378779  0.26795426
   0.64354406  0.67895738  0.49363277
   0.90988385  0.61216097  0.88103060
   0.64308550  0.89115296  0.64534014
   0.87318960  0.85124709  0.75675934
   0.14600074  0.05357652  0.10556007
   0.38706508  0.18035210  0.28335898
   0.20280543  0.29525333  0.04115450
   0.39540860  0.41741424  0.35805658
   0.53703848  0.35730310  0.19005425
   0.30320769  0.41876989  0.18671959
   0.32097204  0.10006786  0.47171650
   0.06168821  0.13391220  0.40231060
   0.10798072  0.03422227  0.57553727
   0.35655724  0.20516226  0.80760439
   0.16166566  0.29873907  0.53700683
   0.39251438  0.45416446  0.84644082
   0.46023187  0.38088844  0.66874620
   0.20307923  0.37019739  0.71241084
   0.35458155  0.12054353 -0.01112915
   0.04788256  0.13324459  0.94415866
   0.14140040  0.54317841  0.08271946
   0.37608695  0.66051035  0.28308759
   0.13614094  0.81493148  0.05363602
   0.41426529  0.93150556  0.33174990
   0.44810340  0.85269310  0.15893866
   0.19807621  0.83592334  0.23481794
   0.28586580  0.60482767  0.44896545
   0.04316343  0.60815637  0.39238029
   0.11314175  0.54678606  0.58290671
   0.34805985  0.70682417  0.78076059
   0.12058588  0.79627228  0.50948261
   0.39154979  0.95209697  0.84068626
   0.48727204  0.85149418  0.66658641
   0.20574215  0.83391582  0.69856081
   0.31564788  0.64791051 -0.02116386
   0.06289436  0.63854890  0.91199350
   0.60617664  0.08007004  0.09683674
   0.84244877  0.18655829  0.30480497
   0.65547493  0.31924471  0.01531727
   0.85036062  0.45664543  0.34433593
   0.05182614  0.33906694  0.19858256
   0.78934943  0.39874171  0.17684159
   0.80885398  0.12135921  0.48851390
   0.56900124  0.14228588  0.42139867
   0.62628332  0.04470622  0.59601856
   0.89708345  0.19464507  0.80615564
   0.67071166  0.31840300  0.55330241
   0.87124644  0.45415190  0.86137199
   0.93934121  0.36092169  0.65239023
   0.72600517  0.44881595  0.71144751
   0.80645241  0.08709840  0.98802369
   0.58052092  0.11974980  0.89902395
   0.62118627  0.57683670  0.10142948
   0.84177248  0.69544507  0.28731714
   0.64132175  0.83325998  0.02987348
   0.87871377  0.93692876  0.36125438
   0.94247938  0.88131496  0.17448087
   0.68648097  0.89371733  0.22681276
   0.80247521  0.65379579  0.47825842
   0.56681872  0.60524543  0.40440025
   0.59363108  0.57053238  0.57566670
   0.85404847  0.69243830  0.78379553
   0.59045399  0.83887397  0.46320912
   0.93363704  0.93916390  0.85408092
   0.96123645  0.85310630  0.65834506
   0.71939495  0.91673460  0.75486180
   0.80271590  0.66052857  0.96998711
   0.54220347  0.66111858  0.91809737
   0.72177716  0.78326446  0.59365109
   0.65904341  0.90145217  0.45333262
   0.89782902  0.15477067  0.13699828
   0.76847794  0.45494631  0.30672139
   0.31532196  0.04497209  0.68552023
   0.25212817  0.70669745  0.75924917
   0.08449464  1.03914985  0.25412872
   0.19565115  0.98001108 -0.04049710
   0.68901642  0.23071526  0.78487961
   0.90361277  0.30120902  0.59854411
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.004268   -0.283378   -0.042034
    -0.000000    9.977462   -0.053461
    -0.000000   -0.000000   13.768402
   Si   O    H 
    32    64    10
Direct configuration=   124
   0.18346885  0.12568677  0.00357301
   0.41685339  0.09282217  0.37758383
   0.16606510  0.39594906  0.12389329
   0.40669625  0.33695777  0.25540429
   0.16213854  0.14554355  0.49823075
   0.41839268  0.09906330  0.88597851
   0.10505539  0.39491503  0.61719890
   0.34864612  0.35418074  0.75865784
   0.15528751  0.66695394  0.00911816
   0.40857122  0.57430888  0.37694813
   0.10254697  0.91551927  0.15566369
   0.35860565  0.82021047  0.25578293
   0.14294664  0.63234901  0.48564664
   0.39551645  0.61413448  0.87728892
   0.10056598  0.88128726  0.60999131
   0.36105127  0.91209358  0.72687193
   0.66419878  0.15789353  1.00229302
   0.89983258  0.09992905  0.38971474
   0.65134140  0.41936170  0.11697872
   0.89836415  0.27385487  0.20629599
   0.65698233  0.15337420  0.51842792
   0.91267328  0.08808853  0.89611657
   0.60958550  0.43003143  0.63271934
   0.80692617  0.33246349  0.77588324
   0.64770507  0.67408568  0.00576302
   0.88587111  0.60391409  0.38353503
   0.59895193  0.91484144  0.12580375
   0.83633134  0.85521006  0.26715387
   0.64312750  0.67917332  0.49342326
   0.90975385  0.61249318  0.88055254
   0.64268513  0.89218420  0.64664281
   0.87327033  0.85188285  0.75751421
   0.14570314  0.05098441  0.10626090
   0.38682982  0.18092421  0.28292777
   0.20363228  0.29480182  0.03981654
   0.39703749  0.41649151  0.35746653
   0.53664617  0.35777834  0.19024496
   0.30382930  0.41886323  0.18599133
   0.32030503  0.10103669  0.47178216
   0.06115812  0.13462142  0.40316716
   0.10879154  0.03594530  0.57690529
   0.35716012  0.20601800  0.80819307
   0.16206611  0.29855303  0.53663272
   0.39218860  0.45642659  0.84566909
   0.46065606  0.38125607  0.66865032
   0.20437637  0.37066739  0.71296632
   0.35262713  0.12249598 -0.01133047
   0.04783465  0.13381612  0.94477919
   0.14133045  0.54406248  0.08327228
   0.37627069  0.66178862  0.28350933
   0.13715516  0.81586733  0.05481589
   0.41260255  0.93073632  0.33205307
   0.44681383  0.85309021  0.15811922
   0.19731918  0.83664145  0.23452893
   0.28634203  0.60462505  0.45015440
   0.04387135  0.60575385  0.39293386
   0.11453852  0.54644576  0.58335370
   0.34979475  0.70569256  0.78192452
   0.12054956  0.79703338  0.51031652
   0.39251534  0.95068874  0.84135798
   0.48630780  0.85063315  0.66534365
   0.20620164  0.83390192  0.69809965
   0.31619877  0.64816605 -0.02042561
   0.06161848  0.63756888  0.91166349
   0.60591898  0.08167468  0.09597602
   0.84222281  0.18688479  0.30518382
   0.65481945  0.31747056  0.01467218
   0.84954247  0.45529896  0.34625487
   0.05047750  0.33962338  0.19872956
   0.78951429  0.39932741  0.17739352
   0.80837657  0.12190387  0.48750266
   0.56929540  0.14273204  0.42108012
   0.62449563  0.04214538  0.59644668
   0.90054140  0.19626561  0.80533585
   0.67146462  0.31885009  0.55309649
   0.87135818  0.45437485  0.86002074
   0.94089498  0.36064015  0.65251665
   0.72733464  0.44816340  0.70974092
   0.80728823  0.08833087  0.98859105
   0.58016951  0.11750791  0.89915859
   0.62074627  0.57704747  0.10267443
   0.84316669  0.69771046  0.28788856
   0.63946673  0.83299514  0.03065615
   0.87859790  0.93876562  0.36187365
   0.94148247  0.88276675  0.17436676
   0.68614157  0.89415206  0.22542634
   0.80253264  0.65402236  0.47944711
   0.56802233  0.60642984  0.40319925
   0.59298964  0.56952229  0.57597785
   0.85610238  0.69018708  0.78359254
   0.59080855  0.83660327  0.46319719
   0.93337566  0.93910681  0.85375722
   0.96269740  0.85318102  0.65842774
   0.71956060  0.91781194  0.75285608
   0.80399538  0.66008558  0.96872417
   0.54147371  0.66017744  0.91764598
   0.73201460  0.78721061  0.60273185
   0.66410308  0.91095874  0.44547265
   0.90215787  0.14946160  0.13334252
   0.77276349  0.45561407  0.30972789
   0.31850904  0.03833036  0.68173818
   0.25172591  0.70209058  0.75685834
   0.08560318  1.03694733  0.25357583
   0.19621958  0.97612046 -0.04251671
   0.68723941  0.24444979  0.78771726
   0.90364920  0.30266716  0.60031744
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.005609   -0.284969   -0.042796
    -0.000000    9.977713   -0.052679
    -0.000000   -0.000000   13.769081
   Si   O    H 
    32    64    10
Direct configuration=   125
   0.18370114  0.12570110  0.00460355
   0.41751273  0.09210047  0.37805647
   0.16647105  0.39565423  0.12402835
   0.40669203  0.33715937  0.25588030
   0.16136857  0.14479518  0.49783138
   0.41918739  0.09832966  0.88573831
   0.10594026  0.39470814  0.61693299
   0.34877025  0.35390640  0.75818842
   0.15532191  0.66673675  0.00854824
   0.40924316  0.57524544  0.37778203
   0.10211250  0.91361153  0.15479209
   0.35839658  0.81917881  0.25502248
   0.14369565  0.63307350  0.48505594
   0.39521797  0.61463836  0.87751328
   0.10011467  0.88278912  0.61047148
   0.36063975  0.91257836  0.72692392
   0.66387136  0.15722985  1.00194256
   0.90017157  0.10050574  0.39010749
   0.65101764  0.41854328  0.11734333
   0.89883303  0.27462061  0.20609825
   0.65444925  0.15401521  0.51920262
   0.91248503  0.08857108  0.89591103
   0.60956913  0.42958722  0.63314402
   0.80779194  0.33288701  0.77653727
   0.64849254  0.67346452  0.00542074
   0.88448810  0.60397353  0.38261988
   0.59829982  0.91623063  0.12631585
   0.83551711  0.85617380  0.26605108
   0.64305855  0.67923715  0.49323257
   0.90951228  0.61251561  0.87971147
   0.64274662  0.89309623  0.64766401
   0.87398578  0.85203842  0.75811970
   0.14535142  0.04803861  0.10745676
   0.38622087  0.18077744  0.28222770
   0.20429414  0.29375696  0.03864863
   0.39876518  0.41539620  0.35708753
   0.53675393  0.35801641  0.19018570
   0.30421425  0.41878419  0.18551689
   0.31940393  0.10122415  0.47193243
   0.06005040  0.13545500  0.40456905
   0.11005826  0.03772060  0.57749809
   0.35890825  0.20717960  0.80910306
   0.16252034  0.29878046  0.53683264
   0.39181682  0.45841427  0.84459632
   0.46035153  0.38103436  0.66873867
   0.20546679  0.37029376  0.71316456
   0.35091000  0.12357502 -0.01122049
   0.04819901  0.13455514  0.94531591
   0.14093750  0.54482637  0.08368475
   0.37587413  0.66246883  0.28362925
   0.13785700  0.81685922  0.05627357
   0.41028970  0.93029421  0.33256548
   0.44562166  0.85344202  0.15721370
   0.19639290  0.83823896  0.23364781
   0.28766882  0.60465270  0.45163323
   0.04491175  0.60290740  0.39408888
   0.11612327  0.54671901  0.58329986
   0.35065811  0.70394554  0.78331384
   0.12100372  0.79764406  0.51113132
   0.39358967  0.94928834  0.84114623
   0.48522127  0.84984886  0.66426264
   0.20773197  0.83412226  0.69788942
   0.31561856  0.64828550 -0.01947417
   0.06076294  0.63672470  0.91081129
   0.60513216  0.08287603  0.09582352
   0.84286862  0.18864731  0.30503013
   0.65388693  0.31621892  0.01420232
   0.84940443  0.45342164  0.34864841
   0.04916325  0.34138278  0.19843022
   0.78907895  0.39910179  0.17812839
   0.80824359  0.12237762  0.48667176
   0.56896787  0.14348659  0.42054967
   0.62261205  0.03951475  0.59705342
   0.90343217  0.19812441  0.80495953
   0.67173247  0.31863739  0.55338017
   0.87096295  0.45435850  0.85805880
   0.94291761  0.36082222  0.65254306
   0.72930570  0.44679762  0.70803288
   0.80830458  0.08871170  0.98839519
   0.58020952  0.11592367  0.89899339
   0.62079534  0.57758074  0.10363256
   0.84531277  0.69912178  0.28826544
   0.63696738  0.83275788  0.03105167
   0.87798185  0.94062008  0.36279810
   0.94045281  0.88474289  0.17456451
   0.68642279  0.89503049  0.22413873
   0.80351875  0.65426440  0.48030004
   0.56935099  0.60729889  0.40269905
   0.59211402  0.56858887  0.57621966
   0.85758250  0.68882317  0.78351739
   0.59134161  0.83457788  0.46354585
   0.93240390  0.93917475  0.85329264
   0.96295649  0.85308860  0.65856277
   0.72042739  0.91830179  0.75053294
   0.80565321  0.66017052  0.96738430
   0.54036149  0.65882398  0.91705919
   0.73939837  0.79147809  0.61105057
   0.66401709  0.90966071  0.44259832
   0.90432795  0.15469574  0.13484587
   0.76165465  0.45212394  0.30828880
   0.32374780  0.03256388  0.67834972
   0.25715454  0.69771527  0.75539114
   0.08586929  1.03388346  0.25053145
   0.19900777  0.97382933 -0.04375368
   0.68091457  0.25629990  0.78942762
   0.89555822  0.30397133  0.60273709
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.007044   -0.287071   -0.043275
    -0.000000    9.978171   -0.052086
    -0.000000   -0.000000   13.769670
   Si   O    H 
    32    64    10
Direct configuration=   126
   0.18389264  0.12629146  0.00573744
   0.41791183  0.09129790  0.37878370
   0.16717674  0.39551249  0.12399802
   0.40646222  0.33732025  0.25609584
   0.16131871  0.14426123  0.49739756
   0.41964625  0.09791701  0.88577921
   0.10628629  0.39436038  0.61692281
   0.34936900  0.35358609  0.75770612
   0.15538619  0.66638257  0.00820106
   0.40913303  0.57631316  0.37878712
   0.10145475  0.91177670  0.15387902
   0.35821248  0.81828612  0.25400791
   0.14446758  0.63409882  0.48444878
   0.39441421  0.61508663  0.87784566
   0.10053426  0.88362385  0.61083424
   0.36001998  0.91260088  0.72730035
   0.66361493  0.15637751  1.00127098
   0.90024630  0.10065493  0.39030392
   0.65138253  0.41751865  0.11753563
   0.89967710  0.27600584  0.20563895
   0.65226744  0.15467084  0.51944196
   0.91169489  0.08893167  0.89600425
   0.60932063  0.42898342  0.63358541
   0.80855599  0.33367865  0.77728132
   0.64942920  0.67269035  0.00494362
   0.88389968  0.60472437  0.38145042
   0.59756094  0.91840047  0.12671657
   0.83486304  0.85628370  0.26505435
   0.64250965  0.67937599  0.49285296
   0.90876267  0.61279245  0.87885925
   0.64286376  0.89374234  0.64826937
   0.87407508  0.85274675  0.75915542
   0.14525187  0.04609376  0.10862664
   0.38511110  0.18048653  0.28165091
   0.20510816  0.29194044  0.03760978
   0.40024743  0.41537719  0.35669633
   0.53772357  0.35825066  0.18996302
   0.30355591  0.41835710  0.18555367
   0.31772826  0.10225184  0.47231723
   0.05955591  0.13558081  0.40549569
   0.11107543  0.03988474  0.57879030
   0.36143869  0.20786928  0.81016332
   0.16254071  0.29881541  0.53686569
   0.39145684  0.45984242  0.84353882
   0.46034980  0.38085074  0.66903738
   0.20546955  0.36862962  0.71313855
   0.34881748  0.12451371 -0.01056128
   0.04847252  0.13504958  0.94579309
   0.14034136  0.54563889  0.08408975
   0.37531052  0.66372955  0.28335462
   0.13826396  0.81704760  0.05748087
   0.40787759  0.92994427  0.33376020
   0.44482581  0.85297338  0.15607886
   0.19557166  0.83967505  0.23259286
   0.28887794  0.60494833  0.45299622
   0.04592768  0.59974962  0.39453985
   0.11724461  0.54771440  0.58287418
   0.35127677  0.70182939  0.78459975
   0.12193492  0.79731291  0.51158440
   0.39487846  0.94903168  0.84071190
   0.48362497  0.84819154  0.66341019
   0.20894816  0.83394199  0.69807512
   0.31468120  0.64881137 -0.01846775
   0.06057196  0.63551917  0.91054887
   0.60383370  0.08283524  0.09584580
   0.84372282  0.19029470  0.30455971
   0.65318749  0.31658679  0.01463383
   0.84942580  0.45251141  0.35046971
   0.04788133  0.34288348  0.19785800
   0.78822309  0.39824080  0.17833523
   0.80791290  0.12326673  0.48568575
   0.56839710  0.14402628  0.41991119
   0.62155740  0.03688925  0.59800108
   0.90643341  0.19992589  0.80431772
   0.67132063  0.31847078  0.55374754
   0.87103000  0.45396178  0.85640541
   0.94533043  0.36086544  0.65271977
   0.73146987  0.44524978  0.70661695
   0.80969310  0.08864154  0.98737047
   0.58086195  0.11423106  0.89892418
   0.62061553  0.57838766  0.10483307
   0.84647720  0.70014534  0.28812141
   0.63385865  0.83195852  0.03209832
   0.87799613  0.94251143  0.36395671
   0.93885330  0.88666762  0.17481177
   0.68682203  0.89507199  0.22333997
   0.80516032  0.65404663  0.48061622
   0.57045174  0.60856048  0.40242834
   0.59123274  0.56917286  0.57660582
   0.85908297  0.68754890  0.78345219
   0.59315729  0.83369934  0.46307296
   0.93179574  0.93903744  0.85254508
   0.96215260  0.85319732  0.65923670
   0.72288332  0.91851549  0.74827961
   0.80735240  0.66027003  0.96611164
   0.53984434  0.65843288  0.91598824
   0.74526758  0.79878466  0.61674532
   0.65658542  0.89825947  0.44199240
   0.90249566  0.16742677  0.13608807
   0.75922645  0.44637818  0.30898996
   0.32999050  0.03028732  0.67204509
   0.26301501  0.69466552  0.75331202
   0.08635232  1.03360817  0.24594252
   0.20313767  0.97121322 -0.04601263
   0.67554227  0.26583573  0.79197651
   0.88763170  0.30786117  0.60622304
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.007804   -0.288951   -0.044135
    -0.000000    9.978684   -0.050733
    -0.000000   -0.000000   13.770470
   Si   O    H 
    32    64    10
Direct configuration=   127
   0.18487495  0.12748412  0.00649022
   0.41839158  0.09078181  0.37932954
   0.16870641  0.39557021  0.12404199
   0.40621796  0.33792526  0.25624020
   0.16145268  0.14374718  0.49662707
   0.41918503  0.09767710  0.88601818
   0.10594837  0.39374920  0.61716266
   0.35039740  0.35364796  0.75710692
   0.15591030  0.66623023  0.00756570
   0.40914545  0.57744640  0.37965674
   0.10074199  0.90983364  0.15295058
   0.35695126  0.81732995  0.25333670
   0.14524095  0.63553156  0.48397429
   0.39330453  0.61521506  0.87861959
   0.10183464  0.88407758  0.61119874
   0.35955070  0.91211547  0.72722621
   0.66369445  0.15556048  1.00031653
   0.89999795  0.10088713  0.39067593
   0.65192374  0.41681648  0.11771168
   0.90040165  0.27723959  0.20491933
   0.65041285  0.15595322  0.51927171
   0.91058453  0.08927197  0.89592954
   0.60957697  0.42853119  0.63429165
   0.80914463  0.33435564  0.77801566
   0.65036287  0.67204372  0.00410893
   0.88334395  0.60489559  0.37996982
   0.59681504  0.92037642  0.12700252
   0.83400476  0.85654279  0.26393734
   0.64177780  0.67882352  0.49247376
   0.90792698  0.61322379  0.87822352
   0.64250992  0.89358762  0.64894582
   0.87404080  0.85252584  0.76033859
   0.14611348  0.04523078  0.10940927
   0.38302014  0.18030360  0.28148863
   0.20586609  0.29030368  0.03639793
   0.40100388  0.41516536  0.35628255
   0.53866391  0.35918918  0.19002259
   0.30312409  0.41746408  0.18573365
   0.31638319  0.10274586  0.47344648
   0.05855692  0.13551119  0.40621485
   0.11220574  0.04270573  0.58058118
   0.36366215  0.20944737  0.81095200
   0.16225733  0.29922555  0.53652838
   0.39153992  0.46046589  0.84226535
   0.46046874  0.38139084  0.66917133
   0.20447906  0.36694348  0.71232280
   0.34746640  0.12513966 -0.01029964
   0.04854239  0.13534269  0.94604594
   0.13916129  0.54528467  0.08500235
   0.37458651  0.66520077  0.28307093
   0.13846344  0.81723480  0.05811588
   0.40642939  0.93020449  0.33546252
   0.44401543  0.85339130  0.15474054
   0.19514855  0.84192921  0.23142396
   0.29081144  0.60506357  0.45386394
   0.04691552  0.59683390  0.39539547
   0.11845074  0.54949010  0.58232783
   0.35271058  0.69997964  0.78590860
   0.12260255  0.79623408  0.51163691
   0.39551116  0.94911589  0.83997355
   0.48194947  0.84673036  0.66301991
   0.21066696  0.83337564  0.69849803
   0.31429615  0.64935519 -0.01832736
   0.06062448  0.63419012  0.91013335
   0.60252847  0.08233652  0.09683568
   0.84451207  0.19234910  0.30314319
   0.65314288  0.31782555  0.01566866
   0.84847024  0.45183650  0.35210076
   0.04616511  0.34418468  0.19833653
   0.78773400  0.39706684  0.17835003
   0.80761052  0.12369801  0.48518607
   0.56849315  0.14424171  0.41929601
   0.62051321  0.03524948  0.59863453
   0.90872385  0.20243705  0.80403736
   0.67066307  0.31720229  0.55414954
   0.87113593  0.45349631  0.85462860
   0.94766570  0.36044726  0.65299461
   0.73397990  0.44394662  0.70528936
   0.81002035  0.08887331  0.98637229
   0.58129204  0.11257697  0.89889614
   0.62079517  0.57971827  0.10561804
   0.84733968  0.70118103  0.28852993
   0.63125343  0.83079984  0.03313736
   0.87670593  0.94467797  0.36454608
   0.93692204  0.88816517  0.17467420
   0.68703917  0.89543463  0.22286356
   0.80708538  0.65391288  0.48082262
   0.57073048  0.61017673  0.40193008
   0.58983404  0.56969506  0.57707905
   0.86088853  0.68685155  0.78311936
   0.59483919  0.83202882  0.46256448
   0.93093221  0.93902646  0.85149024
   0.96043093  0.85265115  0.66008746
   0.72482874  0.91959104  0.74686490
   0.80850442  0.66061768  0.96481612
   0.53971979  0.65696623  0.91498352
   0.74931130  0.80374294  0.62140470
   0.65866226  0.89612066  0.44002981
   0.90066080  0.18009132  0.13505342
   0.77046725  0.44339081  0.31341021
   0.33582361  0.03077937  0.66640530
   0.27125293  0.68962456  0.74995506
   0.08354556  1.03507232  0.24200119
   0.20353858  0.96635855 -0.04809429
   0.67155474  0.27125410  0.79596683
   0.87885286  0.31503673  0.61118633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.008235   -0.290839   -0.044487
    -0.000000    9.979517   -0.049576
    -0.000000   -0.000000   13.771276
   Si   O    H 
    32    64    10
Direct configuration=   128
   0.18523841  0.12869387  0.00747455
   0.41873495  0.09026616  0.37943322
   0.17028150  0.39576376  0.12444547
   0.40585325  0.33805597  0.25651100
   0.16154025  0.14398990  0.49555171
   0.41851531  0.09723881  0.88616359
   0.10596395  0.39363703  0.61787186
   0.35180841  0.35392304  0.75674478
   0.15610149  0.66583738  0.00745874
   0.40975649  0.57860346  0.38002978
   0.09994313  0.90813966  0.15193810
   0.35630320  0.81663642  0.25246703
   0.14547090  0.63693261  0.48305488
   0.39285537  0.61483634  0.87968837
   0.10269462  0.88404982  0.61206624
   0.35891848  0.91122222  0.72712832
   0.66258640  0.15534377  0.99925205
   0.90015177  0.10114472  0.39111586
   0.65171434  0.41647099  0.11776812
   0.90046284  0.27943777  0.20415344
   0.64902072  0.15776996  0.51918217
   0.91006030  0.08950846  0.89555529
   0.61035893  0.42843722  0.63491174
   0.80935652  0.33503950  0.77889389
   0.65122600  0.67222555  0.00343025
   0.88218515  0.60548354  0.37811864
   0.59595127  0.92204989  0.12765878
   0.83300258  0.85684208  0.26295767
   0.64111450  0.67815277  0.49242568
   0.90637102  0.61346698  0.87746526
   0.64173070  0.89336518  0.64944050
   0.87420158  0.85186575  0.76173865
   0.14676210  0.04599423  0.10978721
   0.38167043  0.18030668  0.28166575
   0.20618886  0.28870286  0.03562397
   0.40168801  0.41470809  0.35580040
   0.53935325  0.36029179  0.18967564
   0.30207931  0.41594730  0.18640368
   0.31467099  0.10276948  0.47344213
   0.05793807  0.13543546  0.40704505
   0.11310030  0.04492477  0.58224729
   0.36508176  0.21083860  0.81131043
   0.16153732  0.29859720  0.53602358
   0.39124602  0.46225078  0.84073097
   0.46012088  0.38156597  0.66908540
   0.20311177  0.36507156  0.71111285
   0.34671614  0.12531282 -0.01061313
   0.04840613  0.13571346  0.94603021
   0.13816482  0.54561620  0.08640325
   0.37391156  0.66661316  0.28333477
   0.13867237  0.81655190  0.05799870
   0.40487302  0.93089624  0.33720743
   0.44328262  0.85294704  0.15369194
   0.19586677  0.84378919  0.23112104
   0.29275361  0.60553870  0.45500496
   0.04689082  0.59399262  0.39568325
   0.11968207  0.55126054  0.58205064
   0.35433058  0.69856934  0.78735251
   0.12335221  0.79465055  0.51177541
   0.39714947  0.94898260  0.83879062
   0.48117044  0.84565919  0.66343119
   0.21231469  0.83323227  0.69856018
   0.31474622  0.65038148 -0.01924349
   0.06051405  0.63269834  0.90955064
   0.60183699  0.08160129  0.09785623
   0.84544026  0.19445628  0.30156370
   0.65292316  0.32005791  0.01670729
   0.84881428  0.45081528  0.35397494
   0.04453138  0.34501819  0.19848145
   0.78736692  0.39607109  0.17862245
   0.80678638  0.12437529  0.48444812
   0.56823511  0.14403559  0.41833674
   0.61963110  0.03477897  0.59896456
   0.91043029  0.20440142  0.80405523
   0.66991320  0.31599773  0.55492868
   0.87137068  0.45282194  0.85322611
   0.94976199  0.35944003  0.65317774
   0.73665240  0.44294873  0.70392307
   0.81095576  0.08879348  0.98582173
   0.58150763  0.11105895  0.89875711
   0.62059386  0.58136898  0.10582184
   0.84839698  0.70177368  0.28889907
   0.62888814  0.82934993  0.03371394
   0.87640893  0.94601539  0.36549749
   0.93555923  0.89021191  0.17442148
   0.68754477  0.89525846  0.22247828
   0.80900938  0.65339136  0.48097743
   0.56894807  0.61181754  0.40141841
   0.58874591  0.57074800  0.57695824
   0.86195744  0.68743005  0.78297027
   0.59656964  0.83035781  0.46237701
   0.93024301  0.93890030  0.85043375
   0.95941985  0.85352846  0.66167829
   0.72712048  0.92012273  0.74593918
   0.80916375  0.66112805  0.96383280
   0.53979090  0.65502303  0.91434113
   0.74832700  0.80872412  0.62117912
   0.66249112  0.89861871  0.43824902
   0.89849418  0.18307383  0.12784522
   0.77357103  0.43921381  0.31225700
   0.34106436  0.03581816  0.66280851
   0.27422426  0.68380930  0.74354607
   0.08133230  1.04023311  0.24032909
   0.20416280  0.96379633 -0.05120305
   0.67125108  0.27525206  0.79918155
   0.87253053  0.32023418  0.61553947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.008464   -0.292166   -0.044803
    -0.000000    9.979986   -0.048297
    -0.000000   -0.000000   13.771979
   Si   O    H 
    32    64    10
Direct configuration=   129
   0.18567532  0.13001704  0.00900962
   0.41887899  0.08974753  0.37947198
   0.17151792  0.39567907  0.12472516
   0.40572346  0.33796691  0.25638109
   0.16148307  0.14425034  0.49431399
   0.41830079  0.09766722  0.88622077
   0.10600073  0.39344688  0.61901338
   0.35354626  0.35427846  0.75653344
   0.15653986  0.66533442  0.00704174
   0.41011510  0.57955998  0.37999369
   0.09901174  0.90669553  0.15095273
   0.35556596  0.81651058  0.25139043
   0.14522897  0.63794297  0.48263431
   0.39182655  0.61378929  0.88056942
   0.10384693  0.88399290  0.61315914
   0.35796477  0.91008305  0.72679790
   0.66138260  0.15494387  0.99822858
   0.90058193  0.10158182  0.39136594
   0.65130643  0.41596899  0.11789982
   0.90031914  0.28155258  0.20369752
   0.64818393  0.15967350  0.51871720
   0.90957318  0.08996479  0.89498556
   0.61059960  0.42802915  0.63536395
   0.80896695  0.33513885  0.77967146
   0.65177411  0.67218128  0.00302045
   0.88169873  0.60537894  0.37687623
   0.59508935  0.92352496  0.12827367
   0.83254039  0.85766502  0.26173358
   0.64077811  0.67700155  0.49225957
   0.90513266  0.61348643  0.87674559
   0.64056718  0.89318607  0.64970379
   0.87416469  0.85082593  0.76294403
   0.14758443  0.04746996  0.11012654
   0.38016037  0.17955066  0.28204650
   0.20559391  0.28795790  0.03485165
   0.40283994  0.41445174  0.35603979
   0.54017898  0.36106792  0.18859122
   0.30154785  0.41441275  0.18738033
   0.31351046  0.10301568  0.47304616
   0.05723350  0.13478661  0.40722890
   0.11427830  0.04645236  0.58423252
   0.36590831  0.21119732  0.81126392
   0.16152404  0.29768100  0.53569031
   0.39123827  0.46254984  0.83942950
   0.46066974  0.38149303  0.66905843
   0.20091232  0.36355909  0.70989207
   0.34565240  0.12479080 -0.01076275
   0.04976958  0.13630231  0.94630475
   0.13726296  0.54594694  0.08746562
   0.37340576  0.66756962  0.28382762
   0.13842958  0.81439692  0.05778179
   0.40316392  0.93152583  0.33914991
   0.44269284  0.85204266  0.15340244
   0.19661893  0.84481357  0.23113936
   0.29470968  0.60561584  0.45638001
   0.04667885  0.59214672  0.39608365
   0.12081032  0.55281001  0.58237672
   0.35537914  0.69748781  0.78805760
   0.12443203  0.79401527  0.51218793
   0.39779820  0.94907794  0.83784728
   0.48054571  0.84538750  0.66360771
   0.21368486  0.83343304  0.69836126
   0.31514190  0.65111723 -0.02011047
   0.06019835  0.63289079  0.90883542
   0.60132057  0.08018121  0.09937734
   0.84737626  0.19707194  0.29974629
   0.65335073  0.32261310  0.01830769
   0.84895794  0.44963097  0.35636358
   0.04363834  0.34584461  0.19868782
   0.78732175  0.39495633  0.17890286
   0.80567843  0.12546957  0.48411744
   0.56760903  0.14283838  0.41824688
   0.61903170  0.03542774  0.59858763
   0.91268158  0.20559504  0.80376989
   0.66858989  0.31444833  0.55548006
   0.87148687  0.45301954  0.85250070
   0.95064247  0.35841789  0.65299778
   0.73844545  0.44224367  0.70299462
   0.81149700  0.08895593  0.98531756
   0.58149308  0.11029055  0.89892834
   0.62027600  0.58254989  0.10554787
   0.85000915  0.70240094  0.28949583
   0.62677298  0.82766920  0.03348789
   0.87573562  0.94680449  0.36636693
   0.93436535  0.89163711  0.17437123
   0.68771493  0.89483882  0.22252055
   0.80994778  0.65307350  0.48122537
   0.56674620  0.61275266  0.40062067
   0.58748094  0.57148582  0.57692662
   0.86312935  0.68801916  0.78207914
   0.59846921  0.82888615  0.46215102
   0.92959303  0.93837762  0.84991724
   0.95877060  0.85507326  0.66371747
   0.72931797  0.92119070  0.74519078
   0.80929755  0.66166865  0.96319670
   0.54031302  0.65302430  0.91369217
   0.74653813  0.80751056  0.61846449
   0.66698028  0.89802094  0.43826594
   0.89243866  0.18366552  0.12102920
   0.77074583  0.43186060  0.30831363
   0.34489268  0.03783312  0.66266280
   0.27740856  0.67552879  0.73797671
   0.08134494  1.04108917  0.24181106
   0.20256632  0.96491200 -0.05337376
   0.67360075  0.27955503  0.80141512
   0.87272472  0.32696419  0.61705117
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.007929   -0.293300   -0.045187
    -0.000000    9.980543   -0.046946
    -0.000000   -0.000000   13.772190
   Si   O    H 
    32    64    10
Direct configuration=   130
   0.18626150  0.13150639  0.01080050
   0.41889858  0.08877279  0.37939458
   0.17238965  0.39517946  0.12467436
   0.40597270  0.33754025  0.25577389
   0.16161216  0.14483450  0.49324735
   0.41828697  0.09847189  0.88627479
   0.10652856  0.39290134  0.61987530
   0.35522661  0.35425977  0.75646641
   0.15698805  0.66449510  0.00684440
   0.41109332  0.58018806  0.38006265
   0.09739033  0.90595167  0.15015058
   0.35435872  0.81717682  0.25049529
   0.14549398  0.63892474  0.48210653
   0.39116796  0.61258829  0.88138463
   0.10505060  0.88465508  0.61416977
   0.35711607  0.90859995  0.72619040
   0.65950061  0.15490500  0.99711895
   0.90130721  0.10234577  0.39146112
   0.65080059  0.41551352  0.11820601
   0.89959471  0.28301677  0.20305937
   0.64752662  0.16078262  0.51826335
   0.90904542  0.09058347  0.89410626
   0.61088477  0.42761880  0.63531909
   0.80852023  0.33580169  0.78021606
   0.65219113  0.67224169  0.00297469
   0.88170904  0.60474675  0.37595846
   0.59435677  0.92474221  0.12878970
   0.83177789  0.85866905  0.26115098
   0.64003650  0.67582465  0.49224367
   0.90453708  0.61322940  0.87627192
   0.63945364  0.89370046  0.65004193
   0.87421895  0.85001907  0.76399125
   0.14854125  0.04862609  0.11034640
   0.37916141  0.17909330  0.28238506
   0.20549400  0.28834238  0.03420518
   0.40384145  0.41553573  0.35695818
   0.53956224  0.36156985  0.18772012
   0.30135090  0.41263952  0.18838301
   0.31264496  0.10282216  0.47209951
   0.05691353  0.13413291  0.40741046
   0.11622939  0.04764429  0.58634328
   0.36635343  0.21207011  0.81127359
   0.16079036  0.29737482  0.53545071
   0.39047515  0.46182072  0.83827046
   0.46095671  0.38112284  0.66886553
   0.19921060  0.36224516  0.70898654
   0.34496177  0.12395629 -0.01104734
   0.05087441  0.13663211  0.94660565
   0.13618127  0.54689110  0.08809856
   0.37309444  0.66824965  0.28473107
   0.13782721  0.81162609  0.05710187
   0.40140629  0.93245350  0.34088795
   0.44240144  0.85123329  0.15376729
   0.19713706  0.84564061  0.23126395
   0.29702622  0.60658184  0.45854561
   0.04604716  0.59035528  0.39674879
   0.12167072  0.55388383  0.58343485
   0.35615468  0.69684586  0.78871694
   0.12598211  0.79306484  0.51232468
   0.39831414  0.94929214  0.83737043
   0.48002110  0.84525911  0.66336558
   0.21455792  0.83374632  0.69779559
   0.31453039  0.65222758 -0.02101823
   0.06036601  0.63303872  0.90831031
   0.60067779  0.07904839  0.10065038
   0.84932005  0.19993864  0.29836248
   0.65335754  0.32447964  0.01982630
   0.84857781  0.44812054  0.35855166
   0.04397846  0.34666376  0.19890863
   0.78737303  0.39412855  0.17872821
   0.80480285  0.12684742  0.48413863
   0.56661624  0.14143452  0.41833822
   0.61913560  0.03679122  0.59839721
   0.91433538  0.20617223  0.80347504
   0.66714591  0.31353736  0.55589027
   0.87251837  0.45280056  0.85238088
   0.95192244  0.35741093  0.65253189
   0.74051959  0.44162997  0.70222235
   0.81173505  0.08936575  0.98465942
   0.58178443  0.10950795  0.89954785
   0.62043084  0.58302993  0.10507220
   0.85199289  0.70333768  0.29010519
   0.62507332  0.82650702  0.03251148
   0.87484812  0.94690211  0.36610545
   0.93327197  0.89206808  0.17412022
   0.68770803  0.89418175  0.22286667
   0.80963033  0.65315522  0.48102835
   0.56401458  0.61358252  0.39948388
   0.58652682  0.57205953  0.57740989
   0.86429990  0.68948306  0.78117569
   0.60050900  0.82821696  0.46198645
   0.92910993  0.93818878  0.84928811
   0.95773580  0.85648290  0.66490560
   0.73147873  0.92195188  0.74483388
   0.80972657  0.66314943  0.96266937
   0.54149884  0.65170573  0.91268567
   0.74303326  0.80105571  0.61328254
   0.66759995  0.89288920  0.44054161
   0.88582117  0.18342038  0.11389331
   0.77660079  0.42632439  0.30875407
   0.34853488  0.03834720  0.66516663
   0.28821065  0.67101617  0.73772590
   0.08334654  1.04433410  0.24550487
   0.20227058  0.96849005 -0.05555706
   0.67494511  0.27849861  0.80422129
   0.87096207  0.33217046  0.61427284
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.007360   -0.294771   -0.045417
    -0.000000    9.980458   -0.045738
    -0.000000   -0.000000   13.771964
   Si   O    H 
    32    64    10
Direct configuration=   131
   0.18685238  0.13277748  0.01290026
   0.41871272  0.08796867  0.37984746
   0.17277173  0.39462158  0.12435055
   0.40594221  0.33674122  0.25516494
   0.16150076  0.14516120  0.49228994
   0.41896062  0.09957524  0.88624287
   0.10683049  0.39210479  0.62006877
   0.35664867  0.35405769  0.75600131
   0.15743674  0.66395933  0.00678419
   0.41189874  0.58062442  0.38020809
   0.09553980  0.90537792  0.14961474
   0.35331655  0.81802781  0.24915873
   0.14527385  0.63990213  0.48147125
   0.39070119  0.61120871  0.88200318
   0.10576645  0.88483460  0.61497381
   0.35612729  0.90757718  0.72559483
   0.65714424  0.15496702  0.99630262
   0.90149199  0.10321186  0.39134614
   0.65007878  0.41536072  0.11829730
   0.89880630  0.28432279  0.20235284
   0.64700606  0.16179827  0.51804451
   0.90926583  0.09138997  0.89303478
   0.61114897  0.42745295  0.63479436
   0.80788821  0.33689385  0.78080430
   0.65225860  0.67190323  0.00203494
   0.88192809  0.60384309  0.37549648
   0.59347870  0.92535147  0.12911348
   0.83127339  0.86024626  0.26050147
   0.63993991  0.67496644  0.49198226
   0.90401112  0.61299739  0.87560358
   0.63880574  0.89416478  0.65013453
   0.87425761  0.84876834  0.76472153
   0.14911578  0.04984514  0.11017946
   0.37811409  0.17746569  0.28304676
   0.20546535  0.29035709  0.03428136
   0.40535839  0.41789644  0.35795993
   0.53903002  0.36180329  0.18728622
   0.30212654  0.41128901  0.18898164
   0.31199824  0.10282289  0.47154605
   0.05663171  0.13359071  0.40724873
   0.11845229  0.04888004  0.58875263
   0.36711686  0.21264685  0.81200148
   0.15972661  0.29657397  0.53494843
   0.38930068  0.46148890  0.83724952
   0.46162777  0.38116588  0.66910354
   0.19786123  0.36060797  0.70908677
   0.34502944  0.12360283 -0.01179721
   0.05288994  0.13651248  0.94598309
   0.13516768  0.54781164  0.08845820
   0.37326784  0.66886326  0.28592463
   0.13645377  0.80936140  0.05640129
   0.39981537  0.93361856  0.34252749
   0.44290012  0.85063352  0.15430937
   0.19700662  0.84687145  0.23141042
   0.29855950  0.60686584  0.46089302
   0.04597000  0.58954506  0.39742910
   0.12272062  0.55475991  0.58451070
   0.35714444  0.69729691  0.78875246
   0.12753220  0.79280526  0.51309894
   0.39886277  0.95030753  0.83712649
   0.47986483  0.84524380  0.66277129
   0.21563067  0.83426533  0.69810153
   0.31405065  0.65325433 -0.02231420
   0.06019164  0.63301184  0.90802396
   0.59974471  0.07819337  0.10169208
   0.85108975  0.20192448  0.29732287
   0.65364638  0.32562685  0.02091720
   0.84773745  0.44616479  0.36015629
   0.04503437  0.34816969  0.19892774
   0.78714394  0.39384320  0.17802906
   0.80350837  0.12837673  0.48499490
   0.56556053  0.14047389  0.41820860
   0.61930855  0.03786760  0.59876862
   0.91572431  0.20579674  0.80342142
   0.66516832  0.31234890  0.55623345
   0.87411730  0.45357007  0.85252472
   0.95328606  0.35624809  0.65191360
   0.74184441  0.44133452  0.70147335
   0.81124630  0.09006719  0.98389713
   0.58188855  0.10899101  0.89994890
   0.62065520  0.58222559  0.10370699
   0.85331287  0.70416768  0.29039772
   0.62343895  0.82525649  0.03119288
   0.87418579  0.94644215  0.36479177
   0.93230831  0.89368531  0.17424856
   0.68734367  0.89371852  0.22324610
   0.80893268  0.65317660  0.48078189
   0.56142942  0.61440313  0.39910234
   0.58446156  0.57223876  0.57809767
   0.86585333  0.69135905  0.78050491
   0.60198327  0.82738203  0.46209334
   0.92872984  0.93852055  0.84945280
   0.95728281  0.85840152  0.66599734
   0.73298566  0.92283125  0.74439756
   0.81000551  0.66444407  0.96240120
   0.54355092  0.65028483  0.91229828
   0.73558185  0.79363641  0.60733794
   0.67061278  0.88988941  0.44528235
   0.87891763  0.18760354  0.11046638
   0.78338589  0.42365893  0.31130695
   0.35578212  0.03782715  0.67152007
   0.30135068  0.66808214  0.74043549
   0.08536320  1.04641436  0.24892996
   0.20297840  0.97233787 -0.05645017
   0.68192737  0.27634075  0.80543214
   0.86936308  0.33841401  0.61123251
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.006420   -0.295659   -0.045698
    -0.000000    9.980567   -0.044364
    -0.000000   -0.000000   13.771534
   Si   O    H 
    32    64    10
Direct configuration=   132
   0.18676134  0.13379745  0.01486490
   0.41761290  0.08702978  0.38005393
   0.17341547  0.39418945  0.12431876
   0.40566636  0.33562156  0.25461750
   0.16178028  0.14490686  0.49163896
   0.41924643  0.09962307  0.88586686
   0.10707241  0.39170746  0.62006904
   0.35786775  0.35324709  0.75542712
   0.15793370  0.66308905  0.00715099
   0.41221468  0.58071432  0.37998935
   0.09392171  0.90475276  0.14898072
   0.35214160  0.81917089  0.24800167
   0.14509835  0.64052671  0.48126186
   0.39016757  0.60992939  0.88255930
   0.10626071  0.88530795  0.61564158
   0.35522896  0.90704486  0.72498353
   0.65554443  0.15483982  0.99615588
   0.90116608  0.10465632  0.39134710
   0.64946828  0.41607611  0.11833421
   0.89794719  0.28500563  0.20114029
   0.64667784  0.16205550  0.51782907
   0.91016832  0.09249306  0.89201117
   0.61175946  0.42739194  0.63412527
   0.80786799  0.33762758  0.78143288
   0.65221734  0.67124207  0.00115709
   0.88288104  0.60246080  0.37584016
   0.59325567  0.92494899  0.12903382
   0.83144322  0.86188676  0.26000435
   0.64082242  0.67428727  0.49189942
   0.90350980  0.61265232  0.87489163
   0.63835977  0.89410428  0.64989319
   0.87459900  0.84726732  0.76551069
   0.14981969  0.05082615  0.10986726
   0.37729145  0.17697006  0.28368430
   0.20566027  0.29284303  0.03495477
   0.40658154  0.42027061  0.35891151
   0.53790732  0.36128696  0.18754558
   0.30325588  0.40986945  0.18923583
   0.31107046  0.10285147  0.47104092
   0.05682881  0.13360133  0.40777211
   0.12085859  0.04942883  0.59027845
   0.36762414  0.21307191  0.81301463
   0.15907146  0.29597403  0.53403153
   0.38881060  0.46109295  0.83651103
   0.46226874  0.38124507  0.66883390
   0.19752698  0.35984960  0.70982214
   0.34566555  0.12306813 -0.01235548
   0.05437671  0.13617398  0.94504894
   0.13446997  0.54845800  0.08943538
   0.37336736  0.66954600  0.28638681
   0.13507431  0.80705632  0.05540634
   0.39810736  0.93359820  0.34403833
   0.44314643  0.85037994  0.15440191
   0.19693418  0.84855577  0.23170642
   0.29974177  0.60675528  0.46279188
   0.04572742  0.58900426  0.39813809
   0.12359024  0.55537503  0.58566558
   0.35825211  0.69763342  0.78869109
   0.12814222  0.79322630  0.51374066
   0.39983990  0.95064391  0.83696306
   0.47970889  0.84503017  0.66227861
   0.21580165  0.83484469  0.69840056
   0.31386487  0.65429166 -0.02348957
   0.05982988  0.63295887  0.90755399
   0.59878467  0.07751114  0.10187309
   0.85319205  0.20334222  0.29626978
   0.65380061  0.32568650  0.02130584
   0.84699741  0.44487744  0.36179920
   0.04635653  0.34992525  0.19894961
   0.78712568  0.39461070  0.17743780
   0.80266804  0.12934510  0.48528352
   0.56414398  0.14087662  0.41849754
   0.61838360  0.03914358  0.59904943
   0.91598994  0.20522252  0.80414710
   0.66355188  0.31196970  0.55647946
   0.87625412  0.45483344  0.85257645
   0.95403079  0.35535576  0.65093782
   0.74266919  0.44142313  0.70083186
   0.80975630  0.09060892  0.98382409
   0.58234224  0.10780193  0.89987798
   0.62094592  0.58136782  0.10170067
   0.85498471  0.70547747  0.29057082
   0.62165096  0.82521657  0.03021111
   0.87326431  0.94518187  0.36339713
   0.93149536  0.89522006  0.17404505
   0.68601944  0.89206644  0.22334043
   0.80768805  0.65336778  0.48055175
   0.55931157  0.61488605  0.39891985
   0.58299739  0.57251590  0.57936414
   0.86757180  0.69321322  0.77961500
   0.60346085  0.82729868  0.46243309
   0.92910427  0.93982728  0.85007830
   0.95742484  0.86107829  0.66674524
   0.73419022  0.92365085  0.74404829
   0.80987405  0.66501639  0.96256712
   0.54521163  0.64802064  0.91275020
   0.72341962  0.79073246  0.60159383
   0.67866355  0.89052185  0.44841939
   0.87308786  0.19585517  0.11210919
   0.78217831  0.41998356  0.31038818
   0.36478922  0.03600680  0.67776453
   0.30491656  0.65981179  0.73576821
   0.08763698  1.04793817  0.25434591
   0.20361640  0.97541371 -0.05853399
   0.68246771  0.26822698  0.81021442
   0.87561355  0.34607784  0.60598304
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.005278   -0.296928   -0.045693
    -0.000000    9.980809   -0.042872
    -0.000000   -0.000000   13.770929
   Si   O    H 
    32    64    10
Direct configuration=   133
   0.18631880  0.13463981  0.01655160
   0.41684979  0.08695813  0.38096555
   0.17384825  0.39363496  0.12368989
   0.40572553  0.33432129  0.25425918
   0.16179915  0.14487144  0.49159364
   0.41939875  0.09968495  0.88579697
   0.10733917  0.39143347  0.61932648
   0.35864747  0.35263467  0.75487902
   0.15766301  0.66189952  0.00748209
   0.41145990  0.58034509  0.37975400
   0.09244979  0.90427794  0.14914895
   0.35149341  0.82058918  0.24725493
   0.14537265  0.64098535  0.48172558
   0.38987180  0.60919190  0.88318591
   0.10614587  0.88595076  0.61600852
   0.35519478  0.90648773  0.72452944
   0.65415005  0.15517561  0.99617969
   0.89994962  0.10616784  0.39085815
   0.64949038  0.41645738  0.11838620
   0.89703010  0.28499965  0.19998028
   0.64610578  0.16250954  0.51776931
   0.91208170  0.09440550  0.89088497
   0.61230974  0.42682946  0.63338873
   0.80838558  0.33803283  0.78217597
   0.65206744  0.67074511  0.00096580
   0.88388479  0.60158435  0.37661903
   0.59278436  0.92423036  0.12843313
   0.83147461  0.86315646  0.26001357
   0.64192538  0.67383386  0.49159739
   0.90268751  0.61182223  0.87435608
   0.63796295  0.89417073  0.64963124
   0.87453316  0.84693074  0.76607981
   0.15063108  0.05146278  0.11002470
   0.37643596  0.17638094  0.28445485
   0.20528231  0.29564481  0.03584544
   0.40773723  0.42243956  0.35982706
   0.53677725  0.36145711  0.18771303
   0.30401206  0.40896878  0.18953799
   0.30968944  0.10307309  0.47013116
   0.05769262  0.13379035  0.40771956
   0.12301589  0.04904305  0.59186496
   0.36809519  0.21300962  0.81372445
   0.15957907  0.29634595  0.53251540
   0.38795066  0.46059949  0.83630690
   0.46263172  0.38124333  0.66854454
   0.19804959  0.35850098  0.71101737
   0.34668462  0.12227550 -0.01288273
   0.05527228  0.13540749  0.94406459
   0.13390906  0.54855689  0.08999925
   0.37371916  0.67089608  0.28649729
   0.13297323  0.80545570  0.05492252
   0.39655725  0.93284465  0.34528683
   0.44361859  0.85127087  0.15504079
   0.19613294  0.85036665  0.23209319
   0.30123280  0.60709832  0.46482813
   0.04454641  0.58785670  0.39804687
   0.12515069  0.55617695  0.58675228
   0.35921960  0.69889086  0.78873633
   0.12824720  0.79408093  0.51447906
   0.40061014  0.95025499  0.83728449
   0.47998534  0.84511922  0.66229430
   0.21501368  0.83572764  0.69762252
   0.31376670  0.65505530 -0.02475685
   0.05963562  0.63361885  0.90702119
   0.59775314  0.07725016  0.10114928
   0.85652059  0.20395882  0.29631506
   0.65459373  0.32441155  0.02149185
   0.84660273  0.44377117  0.36336120
   0.04887348  0.35213461  0.19971434
   0.78698291  0.39558664  0.17635521
   0.80135445  0.13042463  0.48551231
   0.56158853  0.14118507  0.41857659
   0.61672224  0.04161430  0.59937243
   0.91561974  0.20470852  0.80475726
   0.66226899  0.31191356  0.55649665
   0.87809679  0.45591845  0.85296625
   0.95358951  0.35424730  0.64942871
   0.74291183  0.44079489  0.70047476
   0.80842627  0.09143164  0.98392933
   0.58233612  0.10650876  0.89995234
   0.62037049  0.57960706  0.09960642
   0.85565447  0.70792504  0.29064340
   0.61927357  0.82550277  0.02880234
   0.87176610  0.94389562  0.36215016
   0.93065879  0.89608972  0.17315210
   0.68528599  0.89055271  0.22362778
   0.80664648  0.65332501  0.47972220
   0.55810830  0.61540262  0.39853606
   0.58163013  0.57244257  0.58058826
   0.86962563  0.69439940  0.77875920
   0.60380611  0.82784083  0.46253024
   0.92921023  0.94216001  0.85128780
   0.95825377  0.86335493  0.66670674
   0.73471502  0.92369667  0.74404076
   0.81009359  0.66543500  0.96304725
   0.54780093  0.64574914  0.91339546
   0.70630523  0.79012009  0.60010520
   0.68666209  0.89031246  0.45359165
   0.87161889  0.20070635  0.11386368
   0.77967906  0.41500084  0.30932460
   0.36963480  0.04036209  0.68041088
   0.30680675  0.65170127  0.73084794
   0.09233455  1.04903020  0.26005198
   0.20228640  0.97789132 -0.05832374
   0.68262296  0.25856342  0.81587596
   0.88223989  0.35533418  0.59926617
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.004164   -0.298633   -0.045510
    -0.000000    9.981481   -0.041352
    -0.000000   -0.000000   13.770307
   Si   O    H 
    32    64    10
Direct configuration=   134
   0.18659602  0.13478485  0.01733413
   0.41556162  0.08631492  0.38173814
   0.17365379  0.39296233  0.12333348
   0.40643198  0.33239901  0.25443156
   0.16264114  0.14440158  0.49168529
   0.41967212  0.09965486  0.88526040
   0.10747606  0.39149902  0.61846265
   0.35904234  0.35190418  0.75414484
   0.15751361  0.66090189  0.00776277
   0.41026759  0.58022970  0.37922304
   0.09130206  0.90372945  0.14948964
   0.35110818  0.82257962  0.24668557
   0.14503973  0.64057284  0.48227822
   0.38981787  0.60824639  0.88380333
   0.10561159  0.88653494  0.61625856
   0.35611725  0.90574048  0.72437101
   0.65367528  0.15555413  0.99676897
   0.89843546  0.10827653  0.39043604
   0.65030711  0.41720546  0.11871307
   0.89667103  0.28468233  0.19859081
   0.64576086  0.16277911  0.51825400
   0.91360898  0.09562494  0.88953599
   0.61218122  0.42609062  0.63274915
   0.80877772  0.33785235  0.78313875
   0.65150761  0.67065712  0.00098593
   0.88424190  0.60082770  0.37749156
   0.59228406  0.92326127  0.12764173
   0.83162134  0.86406650  0.26049665
   0.64295679  0.67326250  0.49198225
   0.90204118  0.61095236  0.87400729
   0.63703267  0.89455277  0.65001810
   0.87464165  0.84688941  0.76679888
   0.15160744  0.05217151  0.11096344
   0.37603054  0.17657463  0.28543254
   0.20479311  0.29891108  0.03696159
   0.40861580  0.42306636  0.36073425
   0.53507250  0.36105012  0.18844166
   0.30430634  0.40800691  0.18984521
   0.30981618  0.10377378  0.46898343
   0.05836743  0.13363396  0.40813989
   0.12549055  0.04761810  0.59349332
   0.36834992  0.21436617  0.81395694
   0.15978396  0.29691189  0.53051100
   0.38712508  0.46052905  0.83639405
   0.46300730  0.38107901  0.66809757
   0.19748204  0.35710255  0.71240709
   0.34862214  0.12175073 -0.01382224
   0.05627243  0.13359413  0.94284893
   0.13374156  0.54868037  0.09056096
   0.37402268  0.67138927  0.28700362
   0.13065729  0.80432462  0.05466496
   0.39551181  0.93145103  0.34603009
   0.44427694  0.85194251  0.15577490
   0.19482295  0.85256715  0.23273871
   0.30266946  0.60708327  0.46698429
   0.04469400  0.58667690  0.39769373
   0.12602711  0.55694881  0.58740820
   0.35958704  0.70042173  0.78852690
   0.12851209  0.79554002  0.51502807
   0.40084304  0.95008610  0.83752187
   0.48118871  0.84478914  0.66207003
   0.21383969  0.83640161  0.69697384
   0.31384039  0.65509272 -0.02554608
   0.05922800  0.63459338  0.90629586
   0.59702260  0.07810273  0.09978821
   0.85938078  0.20303541  0.29690894
   0.65605549  0.32311537  0.02144671
   0.84610334  0.44236261  0.36446437
   0.05220552  0.35361237  0.20046098
   0.78622576  0.39646010  0.17550679
   0.80051832  0.13147133  0.48537671
   0.55898906  0.14125210  0.41892909
   0.61520008  0.04445656  0.59947147
   0.91482530  0.20409512  0.80527760
   0.65931950  0.31150631  0.55696553
   0.87965176  0.45653367  0.85363159
   0.95290812  0.35289384  0.64790658
   0.74363507  0.43965511  0.70008374
   0.80675823  0.09248727  0.98420077
   0.58158689  0.10630989  0.89995122
   0.62018713  0.57767024  0.09794321
   0.85604018  0.71057377  0.29017042
   0.61799706  0.82567596  0.02766003
   0.87049541  0.94227018  0.36104975
   0.93021772  0.89688455  0.17246076
   0.68331650  0.88935845  0.22399468
   0.80535288  0.65282639  0.47872730
   0.55774614  0.61643598  0.39836598
   0.58166524  0.57323775  0.58136468
   0.87144512  0.69400457  0.77769374
   0.60510252  0.82909983  0.46272633
   0.92947587  0.94391601  0.85219266
   0.95989887  0.86569980  0.66645961
   0.73474472  0.92388426  0.74394359
   0.80955447  0.66596387  0.96370705
   0.54988600  0.64308665  0.91339994
   0.69414378  0.79039892  0.59845397
   0.69236639  0.88623245  0.45795071
   0.87436966  0.20133901  0.11457663
   0.78216636  0.41111878  0.31451224
   0.37249129  0.04443452  0.68252613
   0.31313519  0.64889745  0.73218685
   0.09275936  1.04990323  0.26304652
   0.19762179  0.98136100 -0.05657079
   0.68474919  0.25378669  0.82356176
   0.89126276  0.36382830  0.59475872
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.003081   -0.299878   -0.044775
    -0.000000    9.982249   -0.040015
    -0.000000   -0.000000   13.769692
   Si   O    H 
    32    64    10
Direct configuration=   135
   0.18706809  0.13501960  0.01804348
   0.41392928  0.08557717  0.38222345
   0.17333653  0.39264590  0.12320241
   0.40802286  0.33134431  0.25488027
   0.16334564  0.14393435  0.49236436
   0.41989877  0.09940006  0.88441219
   0.10865282  0.39150084  0.61754848
   0.35932053  0.35133149  0.75304993
   0.15742524  0.65986164  0.00757731
   0.40894688  0.58037232  0.37870463
   0.09010338  0.90296704  0.14992061
   0.35066544  0.82395365  0.24650825
   0.14510868  0.63948098  0.48296228
   0.39057589  0.60669858  0.88416795
   0.10528849  0.88702007  0.61656290
   0.35715793  0.90504838  0.72414884
   0.65381865  0.15616263  0.99732535
   0.89759421  0.11002421  0.39012890
   0.65063599  0.41757869  0.11891716
   0.89624385  0.28420529  0.19702028
   0.64608941  0.16272184  0.51838044
   0.91535987  0.09658159  0.88859739
   0.61240715  0.42521086  0.63204219
   0.80889982  0.33727935  0.78404913
   0.65172607  0.67061145  0.00099824
   0.88414486  0.59991931  0.37816133
   0.59127461  0.92218158  0.12683292
   0.83152847  0.86525655  0.26118616
   0.64384987  0.67310121  0.49264358
   0.90148997  0.61011476  0.87375116
   0.63657797  0.89528256  0.65042459
   0.87457647  0.84703329  0.76669750
   0.15244521  0.05294649  0.11224833
   0.37506433  0.17729153  0.28618657
   0.20373864  0.30152450  0.03801289
   0.40939615  0.42335094  0.36118217
   0.53452578  0.35982008  0.18988367
   0.30408642  0.40789219  0.19042441
   0.31118944  0.10454475  0.46789192
   0.05851510  0.13260465  0.40859394
   0.12782891  0.04681978  0.59468327
   0.36877775  0.21554308  0.81406040
   0.15931463  0.29656784  0.52787479
   0.38542062  0.46048328  0.83647026
   0.46336519  0.38090087  0.66793954
   0.19725247  0.35583046  0.71425638
   0.34933609  0.12093215 -0.01511824
   0.05656392  0.13234799  0.94244028
   0.13438661  0.54898605  0.09126000
   0.37478815  0.67136147  0.28717739
   0.12799410  0.80392585  0.05410157
   0.39493085  0.93034217  0.34650100
   0.44509246  0.85256110  0.15632720
   0.19387577  0.85453864  0.23318085
   0.30430813  0.60677960  0.46912276
   0.04442183  0.58596383  0.39788666
   0.12691544  0.55684066  0.58810795
   0.36046456  0.70135452  0.78802241
   0.12898196  0.79665970  0.51539966
   0.40147430  0.95019567  0.83826580
   0.48228979  0.84421479  0.66197931
   0.21218079  0.83715159  0.69606708
   0.31282190  0.65487197 -0.02582208
   0.05920716  0.63607623  0.90606462
   0.59631223  0.07988623  0.09831837
   0.86173904  0.20180559  0.29747833
   0.65697042  0.32168465  0.02196311
   0.84560727  0.44106672  0.36538362
   0.05442144  0.35528505  0.20072011
   0.78603339  0.39828559  0.17501253
   0.80041639  0.13222185  0.48497405
   0.55604069  0.14179042  0.41916277
   0.61373011  0.04752504  0.59999046
   0.91415237  0.20428567  0.80535399
   0.65613033  0.31141494  0.55740206
   0.88052011  0.45628523  0.85370698
   0.95253890  0.35132091  0.64668479
   0.74435497  0.43894681  0.70007454
   0.80494019  0.09336285  0.98422162
   0.58033857  0.10595528  0.89996590
   0.61993178  0.57572945  0.09648061
   0.85618705  0.71222943  0.28991462
   0.61745727  0.82569017  0.02747225
   0.86986797  0.94145773  0.36005807
   0.93076738  0.89728512  0.17140189
   0.68186338  0.88834529  0.22394467
   0.80482420  0.65210662  0.47736561
   0.55826505  0.61757492  0.39831217
   0.58185592  0.57410395  0.58211556
   0.87289546  0.69272473  0.77634353
   0.60607974  0.82962319  0.46313928
   0.92995707  0.94485927  0.85295958
   0.96112831  0.86836617  0.66657360
   0.73580348  0.92401513  0.74395138
   0.80884741  0.66505653  0.96418410
   0.55170298  0.64029413  0.91351796
   0.68781725  0.78992928  0.59791624
   0.69133194  0.87940868  0.45983966
   0.88125076  0.20008046  0.11669482
   0.78311858  0.40965337  0.31852298
   0.37511355  0.04364584  0.68375091
   0.32311710  0.65290040  0.74010499
   0.09080406  1.05136175  0.26463243
   0.19468229  0.98632319 -0.05365321
   0.69001748  0.25380990  0.82516175
   0.89706374  0.37157775  0.58718374
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.002038   -0.300733   -0.043842
    -0.000000    9.983026   -0.038838
    -0.000000   -0.000000   13.769448
   Si   O    H 
    32    64    10
Direct configuration=   136
   0.18816819  0.13539382  0.01859521
   0.41259575  0.08517467  0.38247983
   0.17340598  0.39281577  0.12369212
   0.40951901  0.32999491  0.25564843
   0.16405928  0.14336344  0.49297016
   0.42019299  0.09902340  0.88382606
   0.10992558  0.39152583  0.61675356
   0.35895362  0.35084088  0.75205215
   0.15694867  0.65872019  0.00720431
   0.40781663  0.58110842  0.37836159
   0.08860424  0.90208718  0.15014571
   0.35038552  0.82599231  0.24708781
   0.14528801  0.63814162  0.48413278
   0.39177735  0.60573590  0.88435209
   0.10511013  0.88751514  0.61677596
   0.35792783  0.90481387  0.72409560
   0.65407169  0.15657421  0.99861323
   0.89675148  0.11104647  0.38916033
   0.65094937  0.41833125  0.11907563
   0.89685679  0.28364499  0.19555651
   0.64642953  0.16178938  0.51846013
   0.91697175  0.09709568  0.88857857
   0.61234843  0.42417331  0.63151973
   0.80916315  0.33649766  0.78512394
   0.65127371  0.67036244  0.00124213
   0.88416109  0.59946605  0.37851679
   0.59004373  0.92045113  0.12576956
   0.83098355  0.86572469  0.26142763
   0.64422167  0.67356574  0.49299424
   0.90153674  0.60964934  0.87343481
   0.63559997  0.89668721  0.65116828
   0.87453463  0.84783542  0.76618361
   0.15271672  0.05367950  0.11359724
   0.37425976  0.17747920  0.28692934
   0.20317134  0.30360952  0.03830636
   0.41049362  0.42242262  0.36075751
   0.53461058  0.35813826  0.19087781
   0.30296400  0.40824109  0.19133993
   0.31203780  0.10526078  0.46739699
   0.05841987  0.13135161  0.40871467
   0.13029380  0.04720755  0.59561430
   0.36839478  0.21674452  0.81400541
   0.15822324  0.29697156  0.52587117
   0.38324546  0.46031593  0.83699278
   0.46301496  0.38084643  0.66814692
   0.19821306  0.35505159  0.71572639
   0.35016583  0.12022768 -0.01594896
   0.05726642  0.13165610  0.94266399
   0.13446922  0.54942995  0.09238073
   0.37495329  0.67185716  0.28690516
   0.12622180  0.80359800  0.05355393
   0.39486087  0.92876847  0.34699202
   0.44627194  0.85334414  0.15719178
   0.19244123  0.85623318  0.23352138
   0.30550844  0.60718388  0.47075394
   0.04416925  0.58594696  0.39751601
   0.12725768  0.55637896  0.58821150
   0.36191615  0.70227748  0.78812638
   0.12941646  0.79766801  0.51581819
   0.40205365  0.95046099  0.83866695
   0.48329617  0.84351998  0.66172093
   0.21059361  0.83766526  0.69490064
   0.31103891  0.65439177 -0.02552373
   0.05962406  0.63817070  0.90611488
   0.59548842  0.08104626  0.09684158
   0.86371624  0.20082510  0.29879432
   0.65744594  0.32036873  0.02244480
   0.84461706  0.44073447  0.36641355
   0.05660021  0.35626454  0.20045419
   0.78608268  0.39993315  0.17422667
   0.80105750  0.13278710  0.48454652
   0.55396126  0.14167931  0.42001052
   0.61202487  0.05067419  0.60040258
   0.91275003  0.20434375  0.80509193
   0.65337059  0.31128096  0.55793487
   0.88121436  0.45581181  0.85369016
   0.95245005  0.35024463  0.64595727
   0.74514241  0.43825170  0.70069985
   0.80276425  0.09438369  0.98417560
   0.57949222  0.10600126  0.89985101
   0.62021215  0.57405091  0.09507895
   0.85547514  0.71217691  0.28985620
   0.61660779  0.82568906  0.02709219
   0.86927864  0.94130110  0.35943477
   0.93157659  0.89739337  0.17029413
   0.67936058  0.88713485  0.22413711
   0.80372087  0.65191892  0.47588089
   0.55889668  0.61772619  0.39853600
   0.58333521  0.57455343  0.58261210
   0.87453056  0.69124726  0.77526843
   0.60771497  0.83074544  0.46373357
   0.93028895  0.94487338  0.85398043
   0.96234712  0.87014701  0.66637671
   0.73630978  0.92492193  0.74328743
   0.80803140  0.66400374  0.96421192
   0.55230382  0.63634834  0.91362260
   0.69272115  0.78828838  0.60007830
   0.69044232  0.87684371  0.46055123
   0.88707398  0.19293726  0.11552656
   0.78033082  0.40272076  0.31704190
   0.37378947  0.04661424  0.68277226
   0.32749726  0.64840312  0.73995137
   0.08543122  1.04942773  0.26340465
   0.19093657  0.98616879 -0.05068255
   0.69975126  0.25878088  0.82485260
   0.90178375  0.37469418  0.58111018
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.001162   -0.301471   -0.042465
    -0.000000    9.983139   -0.037542
    -0.000000   -0.000000   13.769795
   Si   O    H 
    32    64    10
Direct configuration=   137
   0.18912727  0.13601833  0.01922053
   0.41101721  0.08525358  0.38221589
   0.17261080  0.39354948  0.12450939
   0.41088647  0.32931566  0.25613947
   0.16463047  0.14283480  0.49383027
   0.42054899  0.09854499  0.88274613
   0.11023956  0.39144164  0.61571786
   0.35838496  0.35076618  0.75149893
   0.15645503  0.65767949  0.00690708
   0.40622724  0.58167197  0.37833165
   0.08670131  0.90116132  0.14998401
   0.35041951  0.82797344  0.24766155
   0.14586322  0.63714224  0.48523523
   0.39337474  0.60524700  0.88463728
   0.10501326  0.88773097  0.61693546
   0.35862003  0.90506498  0.72402339
   0.65477069  0.15694609  0.99938564
   0.89638881  0.11094923  0.38872625
   0.65110874  0.41895052  0.11943883
   0.89770128  0.28278141  0.19448432
   0.64678101  0.15982351  0.51844126
   0.91862161  0.09764306  0.88890276
   0.61164197  0.42380684  0.63115546
   0.80965758  0.33569213  0.78597682
   0.65059724  0.67068895  0.00146555
   0.88411684  0.59948711  0.37851745
   0.58962215  0.91807912  0.12476222
   0.83005110  0.86668993  0.26159933
   0.64489304  0.67327711  0.49304363
   0.90172607  0.60963714  0.87349659
   0.63447148  0.89852340  0.65194370
   0.87478595  0.84857962  0.76529189
   0.15319649  0.05386700  0.11535760
   0.37326037  0.17806982  0.28772709
   0.20222202  0.30498271  0.03780610
   0.41132176  0.42053806  0.35938919
   0.53596148  0.35691957  0.19166078
   0.30236873  0.40785695  0.19203045
   0.31295894  0.10503707  0.46736158
   0.05770578  0.12970693  0.40858624
   0.13246398  0.04781825  0.59597396
   0.36880064  0.21772155  0.81374791
   0.15692443  0.29677019  0.52425831
   0.38115883  0.45969689  0.83714653
   0.46238264  0.37997593  0.66822640
   0.19939074  0.35460053  0.71691317
   0.35068199  0.12000892 -0.01596411
   0.05797195  0.13092086  0.94338286
   0.13537211  0.55006096  0.09299545
   0.37470219  0.67323725  0.28609262
   0.12487486  0.80378844  0.05317826
   0.39448233  0.92671683  0.34738588
   0.44733184  0.85362053  0.15756204
   0.19136204  0.85751428  0.23406348
   0.30667719  0.60800688  0.47297780
   0.04492752  0.58606292  0.39703879
   0.12688969  0.55603666  0.58847416
   0.36321279  0.70369116  0.78907734
   0.12991713  0.79867750  0.51646276
   0.40203526  0.95014694  0.83884878
   0.48371847  0.84243643  0.66118853
   0.20982711  0.83878159  0.69368247
   0.30951166  0.65389475 -0.02501382
   0.05972231  0.64049931  0.90646343
   0.59438690  0.08258938  0.09567145
   0.86636195  0.20033645  0.30038072
   0.65783136  0.31979639  0.02257220
   0.84433187  0.44072465  0.36739944
   0.05762529  0.35669126  0.20025736
   0.78694490  0.40192834  0.17423299
   0.80149400  0.13237949  0.48407836
   0.55229297  0.14131245  0.42126932
   0.61039339  0.05357469  0.60077334
   0.91141447  0.20479973  0.80446012
   0.65035770  0.31023583  0.55867046
   0.88115404  0.45501040  0.85339538
   0.95271143  0.34904027  0.64435292
   0.74506037  0.43741192  0.70123176
   0.80114001  0.09635682  0.98361725
   0.57939011  0.10589752  0.89937437
   0.62110080  0.57199052  0.09397112
   0.85506291  0.71122985  0.29001240
   0.61637418  0.82609827  0.02751186
   0.86841010  0.94289141  0.35917079
   0.93181723  0.89691070  0.16937390
   0.67681981  0.88578696  0.22448453
   0.80330545  0.65106559  0.47427068
   0.55925525  0.61692313  0.39853757
   0.58537587  0.57529544  0.58270962
   0.87671621  0.68968090  0.77479572
   0.60934453  0.83205659  0.46438521
   0.93082716  0.94488222  0.85449563
   0.96328620  0.87239150  0.66592158
   0.73714906  0.92603447  0.74301603
   0.80780240  0.66272642  0.96388630
   0.55289964  0.63157387  0.91364348
   0.70451109  0.78694279  0.60194512
   0.69816092  0.88562477  0.45750379
   0.89483790  0.18316366  0.11199976
   0.78276599  0.39951938  0.31839406
   0.37272076  0.04763575  0.68083550
   0.32316515  0.63775398  0.73238711
   0.08195940  1.05032121  0.26245607
   0.18647165  0.98834491 -0.05038377
   0.70316665  0.26253003  0.82480128
   0.90672397  0.37279471  0.58430593
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.000722   -0.302139   -0.040894
    -0.000000    9.983528   -0.036107
    -0.000000   -0.000000   13.769967
   Si   O    H 
    32    64    10
Direct configuration=   138
   0.19020456  0.13661843  0.01931754
   0.40942695  0.08480242  0.38184256
   0.17206954  0.39464470  0.12539730
   0.41222778  0.32869544  0.25697480
   0.16525132  0.14171244  0.49540761
   0.42091931  0.09778926  0.88139264
   0.11105026  0.39113474  0.61499704
   0.35712813  0.35020575  0.75113642
   0.15546530  0.65714523  0.00686417
   0.40478752  0.58188641  0.37898460
   0.08561241  0.90019650  0.14923296
   0.35042343  0.82991648  0.24883113
   0.14640391  0.63659033  0.48633096
   0.39530004  0.60479165  0.88464124
   0.10530983  0.88798971  0.61686269
   0.35946498  0.90603901  0.72385050
   0.65504235  0.15723861  1.00038326
   0.89529620  0.11024327  0.38833608
   0.65093340  0.41905958  0.11964476
   0.89839289  0.28193276  0.19297481
   0.64691754  0.15807146  0.51804165
   0.92008825  0.09772282  0.88969585
   0.61094505  0.42311577  0.63090117
   0.81030366  0.33493546  0.78685370
   0.64973315  0.67122904  0.00160961
   0.88418387  0.59949371  0.37793209
   0.58941643  0.91646201  0.12380662
   0.82924054  0.86706066  0.26203151
   0.64466748  0.67278359  0.49327820
   0.90230883  0.60928567  0.87421227
   0.63369873  0.90032473  0.65240045
   0.87488284  0.85028965  0.76388202
   0.15326597  0.05471834  0.11717556
   0.37242387  0.17780915  0.28869697
   0.20135614  0.30576160  0.03626234
   0.41236097  0.41810134  0.35798137
   0.53762976  0.35588325  0.19200862
   0.30109989  0.40727455  0.19209504
   0.31309143  0.10531527  0.46729099
   0.05734249  0.12787741  0.40867979
   0.13496886  0.04788686  0.59547959
   0.36938430  0.21748435  0.81317369
   0.15591315  0.29678919  0.52292424
   0.37861492  0.45931560  0.83772360
   0.46166558  0.37884457  0.66821261
   0.20031525  0.35436850  0.71743535
   0.35011180  0.11997988 -0.01585919
   0.05876610  0.13038020  0.94382557
   0.13570624  0.55051485  0.09333125
   0.37370360  0.67530777  0.28541572
   0.12351503  0.80361221  0.05277089
   0.39359536  0.92463707  0.34760761
   0.44845824  0.85410699  0.15785243
   0.19012633  0.85842358  0.23501254
   0.30738193  0.60930377  0.47460714
   0.04520153  0.58662931  0.39682206
   0.12646269  0.55503541  0.58806863
   0.36344744  0.70477947  0.79011718
   0.13033290  0.79931974  0.51764520
   0.40203071  0.94977560  0.83891858
   0.48397973  0.84213109  0.66125538
   0.20894266  0.83984641  0.69296338
   0.30845585  0.65283029 -0.02426971
   0.05992740  0.64264585  0.90730882
   0.59343920  0.08406919  0.09435824
   0.86767532  0.19995622  0.30123730
   0.65778916  0.31915748  0.02290421
   0.84413335  0.44068993  0.36750804
   0.05708719  0.35561288  0.20008885
   0.78902693  0.40306857  0.17457378
   0.80197940  0.13261214  0.48332925
   0.55117217  0.14064444  0.42248178
   0.60994103  0.05563455  0.60086849
   0.90977774  0.20512179  0.80323811
   0.64774163  0.30916574  0.55872802
   0.88128709  0.45476572  0.85340144
   0.95273885  0.34854326  0.64318985
   0.74498233  0.43691554  0.70197563
   0.80132523  0.09816087  0.98267836
   0.57963025  0.10599482  0.89886887
   0.62221077  0.57046380  0.09341091
   0.85415380  0.71005472  0.29038717
   0.61520735  0.82649763  0.02843942
   0.86742872  0.94517758  0.35902886
   0.93189451  0.89648146  0.16779326
   0.67453523  0.88385763  0.22388379
   0.80289085  0.64980356  0.47278092
   0.56006858  0.61608667  0.39875593
   0.58782138  0.57596846  0.58330391
   0.87831096  0.68865733  0.77499409
   0.61220840  0.83345751  0.46511961
   0.93159677  0.94401184  0.85493187
   0.96364547  0.87458585  0.66524674
   0.73761555  0.92722376  0.74308626
   0.80715035  0.66135765  0.96330912
   0.55378525  0.62673158  0.91378727
   0.71325838  0.78954208  0.60498359
   0.70101336  0.89620906  0.45369076
   0.90305379  0.17492566  0.11312798
   0.78288437  0.39854372  0.31956736
   0.37123814  0.04649871  0.67875316
   0.32387922  0.64042099  0.73693972
   0.07610272  1.05067455  0.26078201
   0.18139000  0.98985614 -0.04935770
   0.69861121  0.26585518  0.82540094
   0.90676410  0.37159900  0.58900286
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.000224   -0.302982   -0.038693
    -0.000000    9.983978   -0.034408
    -0.000000   -0.000000   13.770213
   Si   O    H 
    32    64    10
Direct configuration=   139
   0.19085695  0.13726248  0.01936823
   0.40818984  0.08455204  0.38103931
   0.17127251  0.39586146  0.12635065
   0.41319980  0.32834236  0.25801768
   0.16559726  0.14104441  0.49701200
   0.42148473  0.09643650  0.88044045
   0.11231719  0.39062894  0.61480072
   0.35502956  0.35041493  0.75117175
   0.15459171  0.65664268  0.00666780
   0.40330698  0.58192843  0.37936781
   0.08543293  0.89998953  0.14877380
   0.35022965  0.83166602  0.24980895
   0.14693075  0.63641815  0.48748601
   0.39696178  0.60510035  0.88518006
   0.10563752  0.88816074  0.61626502
   0.36031694  0.90695250  0.72343744
   0.65531977  0.15692722  1.00096136
   0.89415730  0.10945166  0.38791019
   0.65064846  0.41840602  0.11978400
   0.89935339  0.28111526  0.19154719
   0.64716905  0.15735139  0.51770807
   0.92091623  0.09806453  0.89096376
   0.61003033  0.42301956  0.63065476
   0.81066413  0.33430062  0.78748509
   0.64884505  0.67178059  0.00187074
   0.88369730  0.59980986  0.37688532
   0.58950761  0.91531020  0.12279178
   0.82772153  0.86770991  0.26244829
   0.64532973  0.67170565  0.49329450
   0.90293309  0.60876070  0.87496871
   0.63319146  0.90225712  0.65220705
   0.87508638  0.85167780  0.76242882
   0.15312371  0.05489085  0.11851148
   0.37150878  0.17721965  0.28947451
   0.20048195  0.30520484  0.03399933
   0.41268359  0.41514186  0.35710658
   0.53896710  0.35495704  0.19175441
   0.30069537  0.40599760  0.19157056
   0.31290134  0.10520417  0.46747529
   0.05600880  0.12539693  0.40834607
   0.13712695  0.04914491  0.59481079
   0.36924985  0.21698029  0.81253222
   0.15522305  0.29706612  0.52230124
   0.37716003  0.45854465  0.83799177
   0.46055160  0.37762178  0.66790839
   0.20068650  0.35339458  0.71708088
   0.34924176  0.11992681 -0.01547499
   0.05979543  0.13031765  0.94443779
   0.13584992  0.55208179  0.09386502
   0.37270093  0.67688289  0.28446179
   0.12162559  0.80468079  0.05324710
   0.39240818  0.92283336  0.34737949
   0.44818674  0.85395563  0.15754560
   0.18851187  0.85924468  0.23593635
   0.30852663  0.61026638  0.47525250
   0.04588642  0.58744048  0.39618740
   0.12524635  0.55384401  0.58789621
   0.36263057  0.70530911  0.79034990
   0.13046292  0.79939060  0.51849461
   0.40132322  0.94895948  0.83854845
   0.48426330  0.84180049  0.66223894
   0.20830655  0.84013301  0.69231830
   0.30870463  0.65235132 -0.02375915
   0.06075710  0.64463185  0.90798171
   0.59231554  0.08553671  0.09349606
   0.86915151  0.20053337  0.30098209
   0.65717593  0.31838700  0.02365739
   0.84392312  0.44128395  0.36753728
   0.05539144  0.35370379  0.20042470
   0.79119521  0.40346925  0.17482696
   0.80225127  0.13346591  0.48218494
   0.54990035  0.14087365  0.42390423
   0.60923216  0.05775948  0.60141664
   0.90925427  0.20497051  0.80214106
   0.64589305  0.30789014  0.55831397
   0.88091805  0.45399257  0.85391535
   0.95328001  0.34728661  0.64222897
   0.74453927  0.43628914  0.70284205
   0.80295579  0.09984370  0.98119793
   0.58017109  0.10589389  0.89922084
   0.62353879  0.56925031  0.09287474
   0.85260139  0.70905639  0.29074611
   0.61429999  0.82646338  0.02931693
   0.86542198  0.94739923  0.35906941
   0.93078785  0.89641689  0.16662348
   0.67249381  0.88265450  0.22279487
   0.80250252  0.64854536  0.47138986
   0.56102758  0.61467977  0.39916446
   0.58935255  0.57649442  0.58391238
   0.87961154  0.68797714  0.77503441
   0.61526558  0.83632684  0.46634432
   0.93217724  0.94246224  0.85530742
   0.96330418  0.87651910  0.66469405
   0.73809496  0.92738780  0.74329313
   0.80658206  0.66049437  0.96297271
   0.55500553  0.62271000  0.91328993
   0.72160406  0.79970922  0.61034073
   0.69280747  0.89703510  0.44984399
   0.91283062  0.17243203  0.11750840
   0.78261101  0.40067364  0.31874344
   0.36960151  0.04065302  0.67682810
   0.32683433  0.65043313  0.74826412
   0.07462461  1.05520686  0.25864153
   0.17998585  0.98877481 -0.05132760
   0.68521409  0.26942649  0.82513175
   0.89582810  0.37174213  0.58340175
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.999625   -0.303526   -0.036460
    -0.000000    9.984441   -0.032038
    -0.000000   -0.000000   13.770504
   Si   O    H 
    32    64    10
Direct configuration=   140
   0.19155955  0.13792158  0.01930857
   0.40731021  0.08398517  0.38074595
   0.17015315  0.39754966  0.12722799
   0.41394157  0.32845782  0.25933338
   0.16542820  0.14023019  0.49848530
   0.42196212  0.09505751  0.87957175
   0.11401497  0.38971894  0.61437399
   0.35308235  0.35128900  0.75143287
   0.15365307  0.65624866  0.00632179
   0.40174068  0.58186750  0.37933716
   0.08584378  0.90027869  0.14829986
   0.35009425  0.83337100  0.25094658
   0.14726062  0.63632406  0.48860790
   0.39780691  0.60513310  0.88542811
   0.10576075  0.88851876  0.61518970
   0.36092338  0.90804564  0.72288069
   0.65500110  0.15688588  1.00186067
   0.89425919  0.10918161  0.38753707
   0.65039236  0.41787759  0.12017836
   0.90012894  0.28037355  0.19040571
   0.64769516  0.15724729  0.51745460
   0.92092430  0.09869561  0.89249732
   0.60931690  0.42271656  0.63056393
   0.81047114  0.33360015  0.78776137
   0.64798167  0.67200032  0.00179614
   0.88343080  0.59925100  0.37563220
   0.58938852  0.91439977  0.12204291
   0.82640362  0.86790590  0.26303802
   0.64520777  0.67077917  0.49292431
   0.90421622  0.60831651  0.87624434
   0.63239064  0.90424852  0.65195796
   0.87524650  0.85322900  0.76158050
   0.15284809  0.05506088  0.11978504
   0.37069134  0.17622187  0.28956487
   0.19910406  0.30413176  0.03150095
   0.41261999  0.41336041  0.35668029
   0.54027107  0.35442111  0.19071237
   0.30081363  0.40432173  0.19109797
   0.31167158  0.10507611  0.46793492
   0.05547122  0.12326659  0.40767601
   0.13835017  0.05093000  0.59371740
   0.36876417  0.21630185  0.81163181
   0.15470014  0.29853288  0.52213207
   0.37580012  0.45800162  0.83829736
   0.46030831  0.37685862  0.66762561
   0.20053173  0.35236989  0.71621666
   0.34876642  0.12009917 -0.01491045
   0.06041183  0.13058208  0.94549130
   0.13574316  0.55333151  0.09462523
   0.37156234  0.67787576  0.28322992
   0.12036354  0.80563698  0.05343095
   0.39097262  0.92163986  0.34681949
   0.44714995  0.85419022  0.15696248
   0.18723019  0.85966090  0.23654016
   0.30877276  0.61071722  0.47658751
   0.04653820  0.58855788  0.39598413
   0.12415956  0.55241648  0.58770195
   0.36241026  0.70642242  0.79146642
   0.13112274  0.79883080  0.51928401
   0.40074059  0.94807851  0.83769991
   0.48454899  0.84220815  0.66340834
   0.20876814  0.83956186  0.69239396
   0.30817235  0.65137401 -0.02292675
   0.06173151  0.64549924  0.90879348
   0.59098529  0.08636512  0.09344089
   0.87078685  0.20128246  0.29925097
   0.65661082  0.31797399  0.02472301
   0.84384339  0.44140208  0.36762374
   0.05301149  0.35051692  0.20084681
   0.79364584  0.40345295  0.17586318
   0.80357640  0.13407621  0.48117733
   0.54813121  0.14057059  0.42519353
   0.60850566  0.05927932  0.60263147
   0.90736336  0.20557960  0.80052532
   0.64423930  0.30690520  0.55782031
   0.87981587  0.45325775  0.85439008
   0.95402608  0.34590169  0.64137419
   0.74328272  0.43585672  0.70379086
   0.80489065  0.10167697  0.97933278
   0.58106859  0.10651263  0.89962413
   0.62480708  0.56909950  0.09236439
   0.85046885  0.70753738  0.29146366
   0.61338515  0.82630038  0.03019987
   0.86356611  0.95004862  0.35952934
   0.92946399  0.89667992  0.16544983
   0.67083426  0.88171181  0.22200508
   0.80173101  0.64702306  0.47009775
   0.56210366  0.61339574  0.39932367
   0.59087942  0.57735186  0.58477670
   0.88142476  0.68742195  0.77516897
   0.61772936  0.83857641  0.46763253
   0.93239220  0.94130530  0.85573028
   0.96285789  0.87927534  0.66426234
   0.73730992  0.92762175  0.74333154
   0.80566678  0.66019984  0.96286515
   0.55617337  0.61996518  0.91244800
   0.72810280  0.81283352  0.61702635
   0.68466165  0.89627303  0.44748902
   0.92103605  0.17062866  0.12328982
   0.77873777  0.40990131  0.31818202
   0.36497710  0.03105709  0.67414829
   0.31669715  0.64405433  0.74692821
   0.07445267  1.05932791  0.25660904
   0.17932247  0.98432432 -0.05286707
   0.67538229  0.27255353  0.82439743
   0.88705232  0.37038712  0.58150920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.998653   -0.303975   -0.033693
    -0.000000    9.984838   -0.029801
    -0.000000   -0.000000   13.771095
   Si   O    H 
    32    64    10
Direct configuration=   141
   0.19219633  0.13873499  0.01956048
   0.40709350  0.08375554  0.38055717
   0.16867168  0.39964762  0.12842486
   0.41378856  0.32889063  0.26052793
   0.16536316  0.13969405  0.49984855
   0.42231246  0.09409169  0.87905309
   0.11510500  0.38925991  0.61404316
   0.35130531  0.35260816  0.75176450
   0.15223240  0.65607848  0.00586781
   0.40024517  0.58136803  0.37920824
   0.08673607  0.90048197  0.14812857
   0.34956782  0.83346051  0.25164139
   0.14735966  0.63639049  0.48930826
   0.39846754  0.60548473  0.88547106
   0.10571168  0.88882297  0.61459377
   0.36109004  0.90855791  0.72208966
   0.65489138  0.15722547  1.00202848
   0.89398501  0.10887619  0.38710285
   0.65026422  0.41719861  0.12074144
   0.90104099  0.27967025  0.18920389
   0.64841494  0.15726913  0.51694281
   0.92070596  0.09881188  0.89391484
   0.60871787  0.42278756  0.63076482
   0.80998599  0.33354876  0.78849569
   0.64796145  0.67228939  0.00171589
   0.88369384  0.59872173  0.37437807
   0.58908024  0.91398563  0.12177210
   0.82507169  0.86738715  0.26362375
   0.64460102  0.67001353  0.49295387
   0.90633467  0.60847069  0.87753749
   0.63195801  0.90660696  0.65173118
   0.87576190  0.85447835  0.76073340
   0.15210402  0.05558053  0.12059575
   0.37113854  0.17463065  0.28975433
   0.19770099  0.30331078  0.02901797
   0.41318779  0.41211616  0.35671250
   0.54167230  0.35354937  0.19052872
   0.30117219  0.40274642  0.19122689
   0.31059721  0.10499081  0.46815545
   0.05536885  0.11970041  0.40725579
   0.13970506  0.05246992  0.59249117
   0.36813539  0.21565044  0.81053746
   0.15463874  0.29982040  0.52242780
   0.37395387  0.45829473  0.83863840
   0.45997919  0.37597772  0.66805201
   0.20040807  0.35207116  0.71495067
   0.34780022  0.12047041 -0.01471586
   0.06024104  0.13100855  0.94650491
   0.13530625  0.55387716  0.09442360
   0.37088265  0.67905457  0.28259893
   0.11903826  0.80612424  0.05416557
   0.38900672  0.92091376  0.34612132
   0.44659636  0.85472389  0.15633067
   0.18605138  0.86014686  0.23684614
   0.30944059  0.61117156  0.47759393
   0.04598671  0.58929533  0.39599623
   0.12230163  0.55075987  0.58751592
   0.36237018  0.70685688  0.79298454
   0.13149799  0.79760352  0.52008857
   0.40018565  0.94751698  0.83671557
   0.48447039  0.84256617  0.66433634
   0.20973185  0.83884525  0.69234432
   0.30761511  0.64988108 -0.02202695
   0.06202492  0.64582921  0.90884959
   0.59001239  0.08568211  0.09359582
   0.87257190  0.20288239  0.29676811
   0.65547944  0.31745283  0.02514972
   0.84326429  0.44107949  0.36817187
   0.05123835  0.34729001  0.20097344
   0.79521167  0.40336998  0.17716934
   0.80402762  0.13462640  0.48014239
   0.54712030  0.13976330  0.42610543
   0.60858097  0.05970014  0.60446856
   0.90507846  0.20586007  0.79883460
   0.64304416  0.30627526  0.55682078
   0.87854246  0.45327296  0.85486602
   0.95496365  0.34462180  0.63929757
   0.74174033  0.43614879  0.70443615
   0.80696473  0.10350594  0.97761073
   0.58238093  0.10754636  0.89981164
   0.62620888  0.56973665  0.09155371
   0.84889881  0.70720341  0.29168643
   0.61256002  0.82644855  0.03124340
   0.86226786  0.95239632  0.36025604
   0.92897901  0.89722965  0.16439940
   0.66994099  0.88102521  0.22144933
   0.80080130  0.64546528  0.46924325
   0.56325816  0.61253095  0.39949161
   0.59237862  0.57826247  0.58569063
   0.88214852  0.68727855  0.77531052
   0.61929720  0.83997471  0.46891305
   0.93203034  0.93970237  0.85591985
   0.96174757  0.88216476  0.66408414
   0.73655482  0.92809219  0.74393345
   0.80446113  0.65954803  0.96223737
   0.55684053  0.61752742  0.91148312
   0.73342147  0.82201593  0.61998507
   0.69059686  0.90864481  0.44085203
   0.92814881  0.17094624  0.12724477
   0.77607765  0.41602967  0.31684682
   0.36041535  0.02996779  0.66694828
   0.31016691  0.63873962  0.74362142
   0.07124512  1.06180045  0.25482443
   0.17892833  0.97878935 -0.05391611
   0.67064218  0.27666888  0.81814946
   0.88619836  0.36398548  0.58681187
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997643   -0.304377   -0.031171
    -0.000000    9.985085   -0.027673
    -0.000000   -0.000000   13.771854
   Si   O    H 
    32    64    10
Direct configuration=   142
   0.19251153  0.13952792  0.01926697
   0.40635734  0.08270781  0.38038884
   0.16752756  0.40188179  0.12924038
   0.41349496  0.32931802  0.26129676
   0.16512483  0.13854168  0.50093578
   0.42218225  0.09338811  0.87838230
   0.11611220  0.38867573  0.61335428
   0.34956163  0.35358516  0.75245438
   0.15020988  0.65628432  0.00573576
   0.39869527  0.58077704  0.37880704
   0.08786327  0.90110117  0.14820376
   0.34882634  0.83396372  0.25194888
   0.14781472  0.63671365  0.49003945
   0.39988182  0.60525000  0.88559627
   0.10619936  0.88923500  0.61407226
   0.36127194  0.90839765  0.72134472
   0.65486751  0.15774354  1.00213028
   0.89403704  0.10862792  0.38635280
   0.65018739  0.41624513  0.12097309
   0.90201927  0.27907461  0.18789575
   0.64954932  0.15697052  0.51654005
   0.92042248  0.09907381  0.89541941
   0.60849460  0.42332399  0.63108226
   0.80931506  0.33349933  0.78928589
   0.64856670  0.67259337  0.00115247
   0.88393105  0.59806176  0.37343130
   0.58819673  0.91382845  0.12165692
   0.82423412  0.86684887  0.26364508
   0.64426836  0.66990585  0.49316250
   0.90897381  0.60929502  0.87884149
   0.63157933  0.90912014  0.65149110
   0.87651869  0.85525737  0.76022580
   0.15068709  0.05540678  0.12116143
   0.37069451  0.17414395  0.29032627
   0.19707907  0.30270401  0.02664755
   0.41360549  0.41195464  0.35696456
   0.54313155  0.35319200  0.19045491
   0.30114645  0.40048289  0.19141972
   0.30968706  0.10404185  0.46871290
   0.05464006  0.11625349  0.40702220
   0.14102349  0.05326954  0.59223300
   0.36823735  0.21443011  0.80977077
   0.15442688  0.30141651  0.52205798
   0.37179860  0.45922944  0.83977898
   0.46020881  0.37544592  0.66834522
   0.20046345  0.35165916  0.71346892
   0.34680687  0.12020001 -0.01456577
   0.06003973  0.13176275  0.94711222
   0.13509917  0.55391141  0.09466274
   0.37042199  0.67987049  0.28212460
   0.11762241  0.80583039  0.05426888
   0.38772903  0.92054638  0.34569663
   0.44570000  0.85582317  0.15534852
   0.18528270  0.85969405  0.23671744
   0.31065576  0.61160454  0.47785751
   0.04588750  0.59064154  0.39604304
   0.11961896  0.54856380  0.58698600
   0.36160867  0.70634734  0.79387638
   0.13239646  0.79631591  0.52086998
   0.39836166  0.94683311  0.83532562
   0.48351795  0.84241904  0.66537307
   0.21134658  0.83784994  0.69216736
   0.30708708  0.64754377 -0.02152322
   0.06223886  0.64618626  0.90878050
   0.58864782  0.08378930  0.09429213
   0.87357911  0.20353169  0.29378034
   0.65519504  0.31733712  0.02615959
   0.84279261  0.44029987  0.36894518
   0.04963940  0.34487006  0.20114239
   0.79592213  0.40300140  0.17766951
   0.80316452  0.13539998  0.47920808
   0.54604381  0.13926123  0.42754484
   0.60901183  0.06029139  0.60599397
   0.90221161  0.20586592  0.79751229
   0.64137333  0.30611095  0.55575333
   0.87730825  0.45314263  0.85569190
   0.95641675  0.34411405  0.63676046
   0.73928132  0.43644145  0.70510655
   0.80943157  0.10542326  0.97575157
   0.58343631  0.10951797  0.90020797
   0.62754988  0.57077139  0.09066053
   0.84734474  0.70676284  0.29163626
   0.61202861  0.82637254  0.03258295
   0.86103939  0.95369081  0.36030567
   0.92688370  0.89701835  0.16358163
   0.66937216  0.88033363  0.22112099
   0.80029114  0.64371588  0.46800740
   0.56379732  0.61127148  0.39996520
   0.59356598  0.57936648  0.58681289
   0.88356709  0.68729601  0.77540729
   0.62079494  0.84085135  0.46988152
   0.93191698  0.93809744  0.85644273
   0.96061729  0.88509373  0.66357598
   0.73557077  0.92799447  0.74404928
   0.80356475  0.65898738  0.96194313
   0.55731545  0.61457713  0.91060483
   0.73778251  0.82489825  0.61559881
   0.69443451  0.91411760  0.43977145
   0.93137334  0.16575932  0.12881101
   0.77593917  0.42104510  0.31536028
   0.35634885  0.03721336  0.66168761
   0.30733925  0.64319442  0.74728825
   0.06874381  1.06220001  0.25332973
   0.17590366  0.97460766 -0.05567772
   0.67248984  0.28477161  0.81033494
   0.89178006  0.36145005  0.59730549
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.996054   -0.305079   -0.028192
    -0.000000    9.985426   -0.025796
    -0.000000   -0.000000   13.772957
   Si   O    H 
    32    64    10
Direct configuration=   143
   0.19236584  0.14072907  0.01854941
   0.40612295  0.08153240  0.38000413
   0.16639632  0.40324430  0.12991667
   0.41322471  0.32945949  0.26143710
   0.16438969  0.13775413  0.50133827
   0.42084024  0.09254541  0.87785633
   0.11705379  0.38795550  0.61298219
   0.34823091  0.35446336  0.75350842
   0.14847999  0.65602271  0.00506708
   0.39789469  0.58003786  0.37835340
   0.08850836  0.90176553  0.14834130
   0.34795813  0.83518737  0.25221812
   0.14839977  0.63749305  0.49052510
   0.40115304  0.60503087  0.88571149
   0.10700066  0.88981633  0.61351760
   0.36074081  0.90845684  0.72058672
   0.65539794  0.15795371  1.00258455
   0.89443163  0.10804734  0.38552094
   0.65040995  0.41513641  0.12140892
   0.90236073  0.27911225  0.18683463
   0.65116881  0.15648143  0.51572193
   0.91987837  0.09906915  0.89642758
   0.60885959  0.42426789  0.63122463
   0.80832201  0.33380959  0.79009556
   0.64943958  0.67291209  0.00050759
   0.88429167  0.59754956  0.37253961
   0.58807716  0.91384739  0.12194706
   0.82318475  0.86596824  0.26350188
   0.64369051  0.67005672  0.49319785
   0.91120846  0.61006071  0.87998912
   0.63173482  0.91181136  0.65099264
   0.87714356  0.85611903  0.76006836
   0.14972233  0.05526708  0.12186521
   0.37089239  0.17518099  0.29067173
   0.19526035  0.30320667  0.02532846
   0.41359141  0.41258505  0.35766124
   0.54385196  0.35307778  0.19057242
   0.30120807  0.39879473  0.19079483
   0.30893599  0.10298758  0.46887096
   0.05478356  0.11301778  0.40736482
   0.14227977  0.05351824  0.59305360
   0.36806350  0.21275390  0.80864188
   0.15483721  0.30161852  0.52201470
   0.36959246  0.45957939  0.84131708
   0.46010325  0.37531828  0.66889389
   0.20010977  0.35182044  0.71175790
   0.34603722  0.11966041 -0.01491420
   0.06006312  0.13205106  0.94779375
   0.13419277  0.55393441  0.09460022
   0.37058539  0.67970371  0.28199624
   0.11667149  0.80518357  0.05411285
   0.38687324  0.92086292  0.34587742
   0.44364836  0.85751289  0.15518338
   0.18510698  0.85888473  0.23602851
   0.31136095  0.61142956  0.47772727
   0.04576678  0.59194674  0.39639886
   0.11753053  0.54659030  0.58607738
   0.36072711  0.70630518  0.79417433
   0.13245869  0.79439131  0.52150430
   0.39734115  0.94530526  0.83432171
   0.48312969  0.84255291  0.66664459
   0.21322904  0.83733622  0.69260333
   0.30737627  0.64475997 -0.02127426
   0.06182906  0.64689053  0.90879984
   0.58776433  0.08192537  0.09527687
   0.87420913  0.20476477  0.29129356
   0.65471508  0.31832545  0.02711597
   0.84273501  0.43902953  0.36947614
   0.04867477  0.34360086  0.20128907
   0.79649433  0.40199739  0.17805591
   0.80274468  0.13592187  0.47883036
   0.54529187  0.13835417  0.42910496
   0.60973410  0.06056565  0.60777172
   0.89944718  0.20550560  0.79676269
   0.64020031  0.30570037  0.55434557
   0.87680793  0.45353418  0.85609946
   0.95879429  0.34349210  0.63571804
   0.73661044  0.43620522  0.70597121
   0.81143834  0.10693167  0.97458430
   0.58428123  0.11223705  0.90093158
   0.62903478  0.57157907  0.09029014
   0.84580226  0.70651987  0.29172544
   0.61167389  0.82620156  0.03345160
   0.85940180  0.95428558  0.36054847
   0.92500598  0.89632927  0.16319213
   0.66938422  0.87914658  0.22129609
   0.80041136  0.64162999  0.46741213
   0.56335568  0.61115594  0.39976193
   0.59479916  0.58000525  0.58799688
   0.88524002  0.68804339  0.77569654
   0.62360280  0.84189247  0.47071764
   0.93250205  0.93667622  0.85675388
   0.95988113  0.88805254  0.66320709
   0.73445353  0.92731741  0.74486168
   0.80304045  0.65850488  0.96115436
   0.55796308  0.61234520  0.90981773
   0.73937707  0.82283331  0.60798982
   0.69175455  0.90988721  0.44355509
   0.93195931  0.16044122  0.12477159
   0.77880043  0.42302222  0.31473596
   0.35670247  0.04185532  0.65845990
   0.31010448  0.65430171  0.75425374
   0.06747822  1.06333704  0.25106567
   0.17607340  0.96857364 -0.05820320
   0.67175467  0.28879840  0.80007402
   0.87913987  0.36378064  0.59696140
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994658   -0.305606   -0.025548
    -0.000000    9.985334   -0.024027
    -0.000000   -0.000000   13.774096
   Si   O    H 
    32    64    10
Direct configuration=   144
   0.19172473  0.14138450  0.01791188
   0.40647436  0.08087738  0.37981420
   0.16506457  0.40397990  0.13030290
   0.41295201  0.33009575  0.26117486
   0.16344295  0.13739696  0.50178995
   0.41974923  0.09186057  0.87770579
   0.11772507  0.38672850  0.61238719
   0.34682716  0.35525874  0.75440780
   0.14729824  0.65617461  0.00474502
   0.39758824  0.57965875  0.37801952
   0.08905209  0.90317097  0.14854488
   0.34696096  0.83596288  0.25204592
   0.14871065  0.63754957  0.49108161
   0.40169138  0.60494207  0.88611297
   0.10725774  0.89024470  0.61319605
   0.36020245  0.90821771  0.71976272
   0.65592131  0.15838153  1.00268933
   0.89456738  0.10753265  0.38450145
   0.65159411  0.41454857  0.12172095
   0.90218502  0.27874088  0.18543727
   0.65217281  0.15577955  0.51497373
   0.91999847  0.09895181  0.89688641
   0.60909786  0.42510409  0.63121139
   0.80768478  0.33462263  0.79076763
   0.65011302  0.67285264  0.00022550
   0.88498990  0.59693646  0.37183957
   0.58757463  0.91458050  0.12241154
   0.82253243  0.86481561  0.26312117
   0.64321134  0.67072647  0.49382447
   0.91272172  0.61059977  0.88125784
   0.63207181  0.91432676  0.65109821
   0.87775365  0.85690998  0.76007468
   0.15013962  0.05473682  0.12247631
   0.37064716  0.17630025  0.29070896
   0.19410134  0.30458605  0.02471484
   0.41313930  0.41335322  0.35835669
   0.54431379  0.35259643  0.19100442
   0.30152006  0.39751379  0.19023105
   0.30817429  0.10227923  0.46921905
   0.05482346  0.11029318  0.40781457
   0.14292283  0.05345466  0.59421875
   0.36846958  0.21152331  0.80755045
   0.15607667  0.30108403  0.52203661
   0.36747278  0.45918177  0.84266298
   0.45927647  0.37546927  0.66941118
   0.20002734  0.35158921  0.71032264
   0.34492531  0.11915161 -0.01526157
   0.05989720  0.13230922  0.94840801
   0.13353626  0.55323272  0.09447611
   0.37148350  0.67872407  0.28249408
   0.11558151  0.80459353  0.05390747
   0.38650998  0.92198846  0.34674092
   0.44074823  0.85909643  0.15537186
   0.18546434  0.85857863  0.23560936
   0.31181429  0.61095154  0.47779836
   0.04639237  0.59239972  0.39718685
   0.11518392  0.54437659  0.58530182
   0.36051750  0.70705029  0.79503325
   0.13316676  0.79301125  0.52115874
   0.39599599  0.94411072  0.83321458
   0.48423882  0.84284086  0.66744416
   0.21460523  0.83735385  0.69302881
   0.30759240  0.64229242 -0.02115830
   0.06222650  0.64725284  0.90899137
   0.58620421  0.07911058  0.09557508
   0.87460140  0.20601165  0.28928536
   0.65365053  0.31915351  0.02757228
   0.84211465  0.43739264  0.36945274
   0.04805232  0.34265065  0.20141156
   0.79674538  0.40053822  0.17814516
   0.80266736  0.13658822  0.47828414
   0.54419585  0.13724722  0.43046319
   0.61002523  0.06066460  0.60901427
   0.89663932  0.20433863  0.79647182
   0.63942788  0.30564158  0.55312860
   0.87644969  0.45391118  0.85682840
   0.96107220  0.34294748  0.63503548
   0.73379017  0.43673580  0.70625950
   0.81268890  0.10800254  0.97377709
   0.58449900  0.11463743  0.90175941
   0.62987135  0.57219496  0.08972114
   0.84463269  0.70624701  0.29160400
   0.61118461  0.82523355  0.03423771
   0.85730935  0.95459371  0.36023971
   0.92312508  0.89686485  0.16312128
   0.66951381  0.87798195  0.22136832
   0.80091811  0.63972460  0.46746242
   0.56259477  0.61057910  0.39970042
   0.59569371  0.58106637  0.58933804
   0.88666719  0.68897890  0.77644208
   0.62693657  0.84309850  0.47090226
   0.93322239  0.93607256  0.85715812
   0.95972684  0.89133569  0.66210186
   0.73232678  0.92650994  0.74550184
   0.80231706  0.65844390  0.96084055
   0.55853314  0.61062401  0.90927165
   0.73230659  0.82269747  0.59922280
   0.68797877  0.89630711  0.44881794
   0.92655680  0.16000239  0.12050881
   0.77991430  0.42355129  0.31806392
   0.35600932  0.04318898  0.65701144
   0.30100118  0.65606030  0.75503919
   0.06801654  1.06058681  0.24835588
   0.17878255  0.96170637 -0.05765286
   0.66898035  0.28597791  0.79307268
   0.87274774  0.36743653  0.59742713
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993372   -0.306252   -0.022919
    -0.000000    9.985052   -0.022210
    -0.000000   -0.000000   13.775168
   Si   O    H 
    32    64    10
Direct configuration=   145
   0.19121668  0.14259662  0.01739145
   0.40741262  0.08051726  0.37942485
   0.16380316  0.40467961  0.13062361
   0.41206885  0.33087116  0.26052797
   0.16233491  0.13753182  0.50148688
   0.41924229  0.09131209  0.87813628
   0.11791573  0.38618638  0.61201276
   0.34606168  0.35634017  0.75560856
   0.14735773  0.65689250  0.00445312
   0.39681337  0.57927126  0.37776166
   0.08912583  0.90457679  0.14866072
   0.34539753  0.83645126  0.25240120
   0.14934575  0.63790070  0.49203730
   0.40205764  0.60425487  0.88669211
   0.10757483  0.89096417  0.61292568
   0.35978220  0.90785402  0.71863523
   0.65693095  0.15800952  1.00288849
   0.89433864  0.10733238  0.38366938
   0.65250309  0.41462784  0.12183017
   0.90194861  0.27811496  0.18411189
   0.65309726  0.15550026  0.51472582
   0.92053268  0.09897970  0.89676759
   0.60891935  0.42542016  0.63069043
   0.80727818  0.33558242  0.79160501
   0.65067802  0.67246157 -0.00007099
   0.88527048  0.59611370  0.37113277
   0.58718956  0.91530938  0.12326094
   0.82184068  0.86306274  0.26246759
   0.64218092  0.67155889  0.49406864
   0.91347247  0.61137671  0.88218041
   0.63242330  0.91634121  0.65089406
   0.87870926  0.85749355  0.75955506
   0.15080525  0.05422557  0.12310455
   0.37054264  0.17750956  0.29037450
   0.19275072  0.30635643  0.02451042
   0.41315249  0.41451273  0.35961338
   0.54402937  0.35222307  0.19208688
   0.30244358  0.39648591  0.18968898
   0.30703429  0.10143854  0.46899133
   0.05536994  0.10792179  0.40886871
   0.14301558  0.05300815  0.59567908
   0.36853835  0.21038694  0.80653470
   0.15732956  0.30048664  0.52140965
   0.36632565  0.45903524  0.84345021
   0.45813956  0.37447979  0.66927881
   0.19943183  0.35193546  0.70859289
   0.34424827  0.11825570 -0.01589548
   0.05907744  0.13245800  0.94900334
   0.13259565  0.55186168  0.09335571
   0.37195402  0.67752064  0.28269860
   0.11457291  0.80399132  0.05376282
   0.38622008  0.92378525  0.34787039
   0.43867086  0.86077923  0.15571964
   0.18598249  0.85793607  0.23563565
   0.31157669  0.61019959  0.47818020
   0.04728517  0.59217207  0.39807439
   0.11184370  0.54218088  0.58490824
   0.36087850  0.70765234  0.79599068
   0.13343937  0.79182072  0.52065979
   0.39402963  0.94374835  0.83187309
   0.48488569  0.84316691  0.66806097
   0.21567910  0.83682973  0.69299802
   0.30746862  0.63941095 -0.02123301
   0.06274477  0.64717998  0.90883285
   0.58502166  0.07618036  0.09606642
   0.87476278  0.20719168  0.28811616
   0.65279705  0.31944607  0.02772108
   0.84193801  0.43687637  0.36984352
   0.04702184  0.34278814  0.20172750
   0.79708248  0.39942048  0.17817721
   0.80233180  0.13725823  0.47699864
   0.54353256  0.13571962  0.43118462
   0.61020726  0.06083722  0.60992300
   0.89370523  0.20186342  0.79600331
   0.63894598  0.30632902  0.55225157
   0.87596980  0.45394076  0.85769480
   0.96213616  0.34242105  0.63431786
   0.73168705  0.43754406  0.70589779
   0.81221416  0.10903442  0.97317901
   0.58458993  0.11693827  0.90311435
   0.63088855  0.57271160  0.08951456
   0.84296541  0.70579287  0.29143907
   0.61029818  0.82288351  0.03429192
   0.85560164  0.95513867  0.35962327
   0.92190230  0.89777980  0.16374001
   0.66910041  0.87772719  0.22164904
   0.80073505  0.63833110  0.46838033
   0.56063615  0.61013771  0.39970566
   0.59652063  0.58302039  0.59003437
   0.88807178  0.69022655  0.77712941
   0.62854379  0.84258104  0.47155971
   0.93389142  0.93591228  0.85781600
   0.95854382  0.89357025  0.66084763
   0.73029914  0.92663054  0.74656039
   0.80190258  0.65780078  0.96047006
   0.55943177  0.60918440  0.90888803
   0.71980649  0.82478839  0.59130398
   0.70804768  0.90030593  0.44607268
   0.91787706  0.15965454  0.11624565
   0.77312525  0.42038777  0.31414838
   0.35798834  0.03925746  0.66065138
   0.28522546  0.65760683  0.75281201
   0.06829710  1.05483384  0.24885028
   0.18281668  0.95695610 -0.05760954
   0.66343869  0.27920645  0.79092620
   0.87898744  0.36872401  0.60006446
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992031   -0.307187   -0.020295
    -0.000000    9.984289   -0.020501
    -0.000000   -0.000000   13.776235
   Si   O    H 
    32    64    10
Direct configuration=   146
   0.19100359  0.14312846  0.01696772
   0.40783323  0.07963014  0.37889891
   0.16306448  0.40495333  0.13059611
   0.41113558  0.33108254  0.25961205
   0.16075116  0.13864613  0.50097217
   0.41906700  0.09169152  0.87853670
   0.11786470  0.38564404  0.61215077
   0.34597580  0.35725993  0.75660110
   0.14734811  0.65722647  0.00421328
   0.39674117  0.57857064  0.37753952
   0.08880191  0.90632295  0.14871023
   0.34411144  0.83610569  0.25262197
   0.14999274  0.63828915  0.49246979
   0.40229108  0.60354692  0.88699162
   0.10754927  0.89137398  0.61275642
   0.35948740  0.90760650  0.71740170
   0.65824111  0.15830487  1.00293562
   0.89456845  0.10802554  0.38278332
   0.65335447  0.41509593  0.12188438
   0.90245277  0.27730390  0.18296745
   0.65435068  0.15543723  0.51461805
   0.92140515  0.09878908  0.89604119
   0.60821867  0.42540788  0.63013725
   0.80650416  0.33717911  0.79222528
   0.65102782  0.67146252 -0.00023723
   0.88505437  0.59614967  0.37039258
   0.58661625  0.91536099  0.12455567
   0.82137921  0.86133716  0.26190435
   0.64112051  0.67231738  0.49414673
   0.91372382  0.61247056  0.88255686
   0.63329102  0.91741355  0.65107865
   0.87931574  0.85768796  0.75931154
   0.15212994  0.05405184  0.12296625
   0.37050011  0.17895758  0.28996825
   0.19124521  0.30746787  0.02472809
   0.41340342  0.41664974  0.36049398
   0.54351316  0.35173595  0.19361595
   0.30381375  0.39617418  0.18928745
   0.30582191  0.10053740  0.46907942
   0.05666959  0.10520086  0.40978263
   0.14322330  0.05094160  0.59710887
   0.36941315  0.20952927  0.80550439
   0.15888525  0.29977851  0.52125056
   0.36531501  0.45903352  0.84426865
   0.45683263  0.37297517  0.66904375
   0.19871568  0.35311917  0.70692542
   0.34450779  0.11672926 -0.01662943
   0.05862606  0.13317390  0.94957601
   0.13217392  0.55021798  0.09274813
   0.37120586  0.67629800  0.28281070
   0.11472150  0.80331917  0.05327744
   0.38543059  0.92554961  0.34916241
   0.43626659  0.86240227  0.15624782
   0.18743205  0.85808723  0.23565081
   0.31166332  0.61031572  0.47822974
   0.04760951  0.59193109  0.39928537
   0.10924202  0.54099073  0.58438372
   0.35956727  0.70829054  0.79671340
   0.13336844  0.79118923  0.52021136
   0.39273568  0.94376245  0.83175924
   0.48500957  0.84327494  0.66842338
   0.21604605  0.83559011  0.69315723
   0.30727057  0.63661072 -0.02142387
   0.06355539  0.64711468  0.90830671
   0.58487108  0.07366611  0.09643838
   0.87413320  0.20694507  0.28758966
   0.65274921  0.32015694  0.02793614
   0.84142575  0.43571741  0.36896829
   0.04623272  0.34300687  0.20197344
   0.79726462  0.39816137  0.17860565
   0.80250304  0.13845876  0.47558390
   0.54387227  0.13457407  0.43107220
   0.61106093  0.06145310  0.61109804
   0.89146891  0.19868541  0.79620048
   0.63783651  0.30726034  0.55175924
   0.87641378  0.45428235  0.85874645
   0.96187510  0.34244268  0.63358584
   0.73147827  0.43814283  0.70541851
   0.81112334  0.11031330  0.97323832
   0.58400256  0.11869295  0.90417090
   0.63234108  0.57312016  0.08950582
   0.84147336  0.70517452  0.29123823
   0.60927104  0.82001641  0.03411504
   0.85411481  0.95533926  0.35860631
   0.92111129  0.89964698  0.16506092
   0.66976410  0.87775772  0.22187033
   0.80167081  0.63675473  0.46908076
   0.55844098  0.60984832  0.40028330
   0.59725930  0.58498611  0.59067369
   0.88894369  0.69181803  0.77769463
   0.63105815  0.84177019  0.47255433
   0.93384408  0.93521413  0.85886530
   0.95782357  0.89624924  0.65955382
   0.72823529  0.92751465  0.74768423
   0.80126821  0.65759514  0.96042482
   0.56011352  0.60871758  0.90881871
   0.70711026  0.82768656  0.58994561
   0.72675966  0.90106722  0.44539306
   0.90597054  0.16087130  0.11063792
   0.77486743  0.41606511  0.31767087
   0.35976595  0.03152908  0.66673130
   0.28121939  0.66527721  0.75644065
   0.06853590  1.05145466  0.25158405
   0.18963602  0.95423461 -0.05668482
   0.66154582  0.27257020  0.79112211
   0.88650329  0.36926608  0.60487815
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.991048   -0.307596   -0.017380
    -0.000000    9.983676   -0.018598
    -0.000000   -0.000000   13.777293
   Si   O    H 
    32    64    10
Direct configuration=   147
   0.19078365  0.14379549  0.01647163
   0.40760520  0.07913358  0.37837421
   0.16276898  0.40457993  0.13054297
   0.41008852  0.33140233  0.25908014
   0.15974683  0.13954371  0.49980111
   0.41872164  0.09213111  0.87891807
   0.11757034  0.38518244  0.61194537
   0.34612933  0.35756639  0.75732577
   0.14769223  0.65831177  0.00418301
   0.39681263  0.57724086  0.37766407
   0.08870431  0.90719505  0.14830721
   0.34397131  0.83582206  0.25245170
   0.14996969  0.63788407  0.49302123
   0.40271304  0.60363879  0.88733445
   0.10808718  0.89206486  0.61346959
   0.35908601  0.90770013  0.71656184
   0.65962359  0.15805155  1.00271047
   0.89493338  0.10846433  0.38176035
   0.65433136  0.41509941  0.12195276
   0.90292666  0.27650693  0.18165079
   0.65552753  0.15562792  0.51479650
   0.92281452  0.09740714  0.89502548
   0.60755161  0.42517391  0.62936734
   0.80556506  0.33845087  0.79269485
   0.65125844  0.67057304 -0.00035505
   0.88495487  0.59639916  0.37021581
   0.58580786  0.91562250  0.12582273
   0.82165345  0.86023098  0.26114121
   0.64102710  0.67286577  0.49398718
   0.91373966  0.61370266  0.88291548
   0.63444118  0.91790234  0.65148405
   0.87969200  0.85763531  0.75918419
   0.15405064  0.05481925  0.12193707
   0.37031737  0.17915814  0.28937895
   0.19013314  0.30857705  0.02563042
   0.41373292  0.41874751  0.36102417
   0.54316775  0.35145381  0.19460433
   0.30514833  0.39693739  0.18872644
   0.30480958  0.09951604  0.46877360
   0.05793295  0.10268846  0.41081828
   0.14276113  0.04880138  0.59810678
   0.37043921  0.20814917  0.80501193
   0.16110815  0.29870556  0.52089801
   0.36453049  0.45899704  0.84506062
   0.45546100  0.37177082  0.66858137
   0.19864357  0.35409477  0.70622738
   0.34496908  0.11640177 -0.01801907
   0.05857099  0.13416113  0.95025588
   0.13177174  0.54886174  0.09241259
   0.37040220  0.67541018  0.28268946
   0.11486670  0.80258253  0.05312288
   0.38460027  0.92840314  0.34980390
   0.43453371  0.86470613  0.15685425
   0.18815429  0.85848453  0.23516998
   0.31115071  0.60999772  0.47840651
   0.04840414  0.59169115  0.40080649
   0.10657061  0.54084272  0.58316976
   0.35777114  0.70839569  0.79728539
   0.13320127  0.79151642  0.52012246
   0.39195866  0.94365479  0.83157011
   0.48587540  0.84308617  0.66858229
   0.21599591  0.83530278  0.69357865
   0.30671797  0.63392627 -0.02159381
   0.06431487  0.64667671  0.90804823
   0.58505069  0.07153447  0.09611205
   0.87249292  0.20636151  0.28681303
   0.65253340  0.32020755  0.02797839
   0.84126509  0.43464173  0.36794850
   0.04628089  0.34393921  0.20250945
   0.79735285  0.39726610  0.17873713
   0.80170436  0.14042393  0.47392432
   0.54487986  0.13374081  0.43097808
   0.61101299  0.06256396  0.61233051
   0.88906028  0.19543155  0.79661411
   0.63690843  0.30865511  0.55138216
   0.87684533  0.45491784  0.85968660
   0.96259777  0.34199453  0.63314862
   0.73182913  0.43859925  0.70468005
   0.80906752  0.11197615  0.97368390
   0.58286218  0.12043843  0.90555406
   0.63361833  0.57319893  0.08969707
   0.84100557  0.70478126  0.29069376
   0.60845032  0.81708645  0.03418914
   0.85248873  0.95522718  0.35768404
   0.92097293  0.90144779  0.16593513
   0.67054922  0.87783942  0.22182537
   0.80246232  0.63506270  0.47015235
   0.55530292  0.60949288  0.40098452
   0.59824687  0.58627598  0.59103828
   0.88984930  0.69416375  0.77829654
   0.63358772  0.84144295  0.47250289
   0.93388952  0.93538387  0.85988785
   0.95786059  0.89921674  0.65806015
   0.72606039  0.92856981  0.74877129
   0.80137174  0.65764367  0.96089758
   0.56088717  0.60749312  0.90930805
   0.69778027  0.82713225  0.59407722
   0.73602776  0.89557338  0.44813065
   0.89353458  0.16556008  0.10655628
   0.77753706  0.40999430  0.32236493
   0.35794098  0.03081428  0.67126046
   0.28174910  0.67776381  0.76369447
   0.06752265  1.04522684  0.25395414
   0.19673057  0.95170847 -0.05459194
   0.66687240  0.26540888  0.79392560
   0.87946921  0.37319476  0.60348998
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990054   -0.307567   -0.014427
    -0.000000    9.983000   -0.016741
    -0.000000   -0.000000   13.778528
   Si   O    H 
    32    64    10
Direct configuration=   148
   0.19116496  0.14397825  0.01648107
   0.40706167  0.07927667  0.37801440
   0.16283059  0.40382247  0.13014896
   0.40928556  0.33209853  0.25856036
   0.15937783  0.14053367  0.49898611
   0.41908489  0.09298850  0.87933559
   0.11743084  0.38498037  0.61133819
   0.34678189  0.35828145  0.75796374
   0.14844957  0.65935738  0.00463458
   0.39669766  0.57622638  0.37756872
   0.08817750  0.90817323  0.14777714
   0.34385815  0.83512591  0.25237087
   0.14957051  0.63665618  0.49389676
   0.40306962  0.60377159  0.88771117
   0.10809965  0.89293662  0.61396091
   0.35907248  0.90740505  0.71584485
   0.66109529  0.15741737  1.00217057
   0.89564464  0.10894192  0.38058341
   0.65526185  0.41515519  0.12150848
   0.90300167  0.27491804  0.18050119
   0.65622762  0.15584704  0.51494752
   0.92350523  0.09656415  0.89383294
   0.60630484  0.42515427  0.62886191
   0.80503553  0.33915705  0.79300257
   0.65203029  0.66882826 -0.00047430
   0.88460459  0.59706428  0.37024341
   0.58473499  0.91541337  0.12747311
   0.82257728  0.85962252  0.26044645
   0.64123135  0.67348236  0.49364556
   0.91306259  0.61506730  0.88307108
   0.63572901  0.91855130  0.65234472
   0.87981460  0.85739103  0.75944947
   0.15544666  0.05595469  0.12058295
   0.37022973  0.17919627  0.28884055
   0.18862791  0.30969638  0.02760550
   0.41274489  0.42085282  0.36120679
   0.54306687  0.35072220  0.19492581
   0.30586335  0.39740912  0.18854969
   0.30333000  0.09919638  0.46836671
   0.05910280  0.09980728  0.41217911
   0.14271955  0.04782267  0.59873458
   0.37141672  0.20713480  0.80379697
   0.16363111  0.29804223  0.52006286
   0.36357888  0.45873497  0.84580566
   0.45425580  0.37131446  0.66832719
   0.19886111  0.35555516  0.70540616
   0.34536053  0.11663090 -0.01942755
   0.05815391  0.13504372  0.95116270
   0.13103050  0.54872671  0.09163272
   0.36944719  0.67482816  0.28246100
   0.11514623  0.80251141  0.05338654
   0.38456732  0.93054959  0.35026757
   0.43299863  0.86717773  0.15736141
   0.18822151  0.85884293  0.23454229
   0.31049373  0.60964266  0.47811713
   0.04878664  0.59167249  0.40273952
   0.10353928  0.54075942  0.58219910
   0.35632798  0.70803316  0.79836680
   0.13249073  0.79249313  0.52029544
   0.39155336  0.94409252  0.83189679
   0.48723800  0.84246764  0.66876337
   0.21577339  0.83575967  0.69394981
   0.30555228  0.63172963 -0.02214095
   0.06466529  0.64647630  0.90759028
   0.58600149  0.06996336  0.09591706
   0.87210348  0.20518524  0.28685739
   0.65243948  0.31989320  0.02760022
   0.84179847  0.43453228  0.36677210
   0.04639398  0.34566034  0.20195112
   0.79730419  0.39688064  0.17844006
   0.80158760  0.14320669  0.47311183
   0.54600732  0.13318293  0.43099226
   0.61151228  0.06414656  0.61330371
   0.88677138  0.19252672  0.79721846
   0.63593706  0.31089658  0.55060877
   0.87704127  0.45519778  0.86055541
   0.96336472  0.34187853  0.63301447
   0.73278906  0.43859344  0.70454021
   0.80715113  0.11339127  0.97448214
   0.58074060  0.12122227  0.90700324
   0.63475784  0.57227659  0.09029530
   0.84138885  0.70572754  0.29059657
   0.60854613  0.81432929  0.03439836
   0.85096871  0.95406293  0.35735857
   0.92027899  0.90323074  0.16697520
   0.67126058  0.87760152  0.22164790
   0.80380711  0.63281938  0.47040582
   0.55229063  0.60977424  0.40218925
   0.59911113  0.58683991  0.59135818
   0.89041012  0.69616703  0.77888313
   0.63688861  0.84060447  0.47290471
   0.93385233  0.93632483  0.86100286
   0.95880225  0.90091808  0.65663610
   0.72531391  0.92892335  0.74999943
   0.80151768  0.65761915  0.96101896
   0.56159750  0.60726484  0.91049976
   0.69719464  0.82327366  0.59808061
   0.72909203  0.88566126  0.45017690
   0.88215238  0.16997907  0.10517649
   0.76749716  0.39832718  0.32050187
   0.35513212  0.03560139  0.67272543
   0.27948285  0.68565503  0.76737802
   0.06750012  1.04144604  0.25550025
   0.20448394  0.95043803 -0.05424928
   0.67483756  0.26156639  0.79840247
   0.87770465  0.37620536  0.60187182
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989048   -0.307937   -0.011543
    -0.000000    9.982499   -0.014586
    -0.000000   -0.000000   13.779872
   Si   O    H 
    32    64    10
Direct configuration=   149
   0.19125595  0.14370180  0.01644071
   0.40662079  0.07995755  0.37780413
   0.16309707  0.40279754  0.12902439
   0.40876915  0.33201009  0.25814733
   0.15898392  0.14128372  0.49825743
   0.41986173  0.09411669  0.87967381
   0.11731939  0.38446753  0.61094859
   0.34804530  0.35811997  0.75847756
   0.14921562  0.65994371  0.00529737
   0.39725810  0.57672369  0.37733997
   0.08770089  0.90935020  0.14717550
   0.34369486  0.83410237  0.25231754
   0.14893013  0.63564619  0.49440388
   0.40374213  0.60443807  0.88781241
   0.10836655  0.89351515  0.61410523
   0.35900108  0.90784693  0.71495356
   0.66135854  0.15633313  1.00221339
   0.89603915  0.10902265  0.37951275
   0.65593356  0.41527881  0.12110177
   0.90326607  0.27321493  0.17926629
   0.65651622  0.15623062  0.51520818
   0.92439996  0.09532672  0.89254662
   0.60532046  0.42580555  0.62864290
   0.80451859  0.33876015  0.79327074
   0.65272180  0.66662689 -0.00070777
   0.88497409  0.59729237  0.37051920
   0.58375084  0.91460587  0.12924980
   0.82333173  0.85909104  0.25955739
   0.64190559  0.67375147  0.49288482
   0.91213710  0.61605518  0.88273803
   0.63649213  0.91948297  0.65341272
   0.88008972  0.85780028  0.75938294
   0.15681189  0.05750040  0.11866708
   0.37017539  0.17927129  0.28818908
   0.18683575  0.31098877  0.03059652
   0.41127356  0.42147039  0.36072746
   0.54297349  0.34948351  0.19532755
   0.30585046  0.39831324  0.18812282
   0.30271943  0.09914943  0.46843047
   0.05915304  0.09643569  0.41411660
   0.14203159  0.04758842  0.59871766
   0.37214049  0.20652861  0.80301499
   0.16570714  0.29665665  0.51933119
   0.36302508  0.45742383  0.84607468
   0.45398382  0.37097213  0.66804146
   0.19886505  0.35753996  0.70538340
   0.34524495  0.11692440 -0.02046695
   0.05679127  0.13445340  0.95157600
   0.13059138  0.54859369  0.09131295
   0.36871638  0.67360909  0.28300432
   0.11477659  0.80264714  0.05397946
   0.38402491  0.93126441  0.35001448
   0.43204677  0.86934628  0.15809044
   0.18804190  0.85853143  0.23353838
   0.30977775  0.60956946  0.47776720
   0.04895735  0.59132596  0.40491414
   0.10040295  0.54004739  0.58099943
   0.35563447  0.70731724  0.80006461
   0.13105189  0.79394019  0.52005968
   0.39152042  0.94505214  0.83289803
   0.48836557  0.84190617  0.66876107
   0.21555393  0.83563141  0.69384078
   0.30441716  0.63006398 -0.02248324
   0.06447474  0.64646819  0.90703079
   0.58748810  0.06907075  0.09637511
   0.87233219  0.20399389  0.28738281
   0.65268462  0.31826189  0.02703867
   0.84182572  0.43425750  0.36527311
   0.04699764  0.34770653  0.20164695
   0.79729079  0.39652628  0.17844232
   0.80226131  0.14579740  0.47225767
   0.54722046  0.13179843  0.43067071
   0.61244537  0.06655580  0.61377482
   0.88393442  0.18949812  0.79735381
   0.63585541  0.31334575  0.54949504
   0.87776969  0.45565602  0.86109013
   0.96403027  0.34170422  0.63268267
   0.73341452  0.43898335  0.70460915
   0.80567672  0.11419375  0.97598719
   0.57793707  0.12251481  0.90810762
   0.63617560  0.57119413  0.09179423
   0.84216019  0.70648302  0.29076513
   0.60810750  0.81229392  0.03450062
   0.84902988  0.95299719  0.35735424
   0.91997302  0.90542199  0.16806369
   0.67168053  0.87688455  0.22177466
   0.80469024  0.63081048  0.47076247
   0.54920360  0.61091801  0.40329338
   0.60025576  0.58688040  0.59080600
   0.89025647  0.69828061  0.77989985
   0.64054935  0.83941590  0.47274262
   0.93374343  0.93719761  0.86187140
   0.95943589  0.90204439  0.65623298
   0.72552702  0.92911260  0.75117154
   0.80201512  0.65843719  0.96102293
   0.56240086  0.60719559  0.91173231
   0.70305413  0.81261584  0.60084203
   0.71625815  0.87506624  0.45251298
   0.87292547  0.17536999  0.10578567
   0.76369473  0.39467343  0.32241787
   0.35135443  0.04401278  0.67200576
   0.26788606  0.68994681  0.76728794
   0.06639520  1.03874023  0.25823675
   0.21017074  0.95288674 -0.05129149
   0.68250018  0.25836955  0.80198139
   0.88236468  0.37483896  0.60217231
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988191   -0.308393   -0.008757
    -0.000000    9.981845   -0.012726
    -0.000000   -0.000000   13.781074
   Si   O    H 
    32    64    10
Direct configuration=   150
   0.19131747  0.14319361  0.01685242
   0.40654169  0.08134930  0.37817269
   0.16338872  0.40210757  0.12826323
   0.40913537  0.33188039  0.25789012
   0.15856249  0.14128728  0.49784086
   0.42078934  0.09549075  0.88007068
   0.11667631  0.38397612  0.61048558
   0.34900397  0.35764152  0.75902163
   0.14980886  0.65988842  0.00613015
   0.39724344  0.57738017  0.37747328
   0.08756440  0.91081841  0.14681266
   0.34395974  0.83279180  0.25236123
   0.14834776  0.63571567  0.49515217
   0.40355334  0.60538320  0.88794435
   0.10849997  0.89371484  0.61431249
   0.35871988  0.90771860  0.71454185
   0.66050807  0.15531659  1.00248639
   0.89680481  0.10914592  0.37855818
   0.65670041  0.41544180  0.12070381
   0.90326546  0.27180792  0.17855257
   0.65661113  0.15677490  0.51535651
   0.92473062  0.09386206  0.89173299
   0.60435510  0.42669456  0.62898036
   0.80403262  0.33825524  0.79350508
   0.65405836  0.66454745 -0.00125566
   0.88537067  0.59745838  0.37078694
   0.58251915  0.91340088  0.13003929
   0.82394785  0.85842128  0.25841883
   0.64284293  0.67359370  0.49186594
   0.91154027  0.61702709  0.88190238
   0.63684653  0.91970224  0.65416457
   0.87976508  0.85850201  0.75933918
   0.15877985  0.05866579  0.11662312
   0.36977852  0.17937090  0.28741705
   0.18545689  0.31177918  0.03410121
   0.41040136  0.42171514  0.36018271
   0.54353770  0.34890050  0.19567163
   0.30543134  0.39985904  0.18746864
   0.30302183  0.09967374  0.46837752
   0.05872396  0.09336652  0.41559275
   0.14226498  0.04720028  0.59785575
   0.37191702  0.20649491  0.80250560
   0.16775513  0.29573885  0.51853078
   0.36238182  0.45627217  0.84681433
   0.45400595  0.37157962  0.66723325
   0.19927924  0.35956762  0.70560678
   0.34493761  0.11748077 -0.02110195
   0.05522471  0.13393851  0.95189983
   0.12923526  0.54884008  0.09147107
   0.36753110  0.67309330  0.28414717
   0.11503476  0.80282765  0.05486462
   0.38373594  0.93105252  0.34891153
   0.43101171  0.87117572  0.15840333
   0.18776474  0.85901627  0.23292647
   0.30933425  0.60936163  0.47703705
   0.04910377  0.59085180  0.40729355
   0.09782571  0.54027883  0.58035888
   0.35482031  0.70643591  0.80183340
   0.12955182  0.79451532  0.52011689
   0.39173306  0.94668340  0.83436169
   0.48960704  0.84060608  0.66855133
   0.21514933  0.83619586  0.69374102
   0.30332519  0.62870804 -0.02330475
   0.06367918  0.64666011  0.90621731
   0.58999767  0.06830109  0.09676899
   0.87268462  0.20302998  0.28791308
   0.65388301  0.31688059  0.02589962
   0.84166159  0.43544832  0.36388621
   0.04742141  0.34896219  0.20148551
   0.79729584  0.39573386  0.17823601
   0.80354801  0.14786974  0.47154495
   0.54772455  0.12997145  0.42982958
   0.61288723  0.06884042  0.61404781
   0.88166267  0.18675259  0.79749518
   0.63557627  0.31479086  0.54832865
   0.87885898  0.45695817  0.86084930
   0.96373710  0.34180164  0.63165846
   0.73397208  0.43953390  0.70438984
   0.80485247  0.11367450  0.97716558
   0.57465227  0.12357458  0.90868633
   0.63747436  0.56943881  0.09345366
   0.84323598  0.70681680  0.29115400
   0.60808663  0.81039860  0.03488875
   0.84779502  0.95198729  0.35715128
   0.92005325  0.90788265  0.16872650
   0.67254934  0.87647920  0.22225432
   0.80596381  0.62869054  0.47108880
   0.54683319  0.61315831  0.40492608
   0.60130951  0.58716473  0.58980093
   0.88972650  0.69922200  0.78069542
   0.64225942  0.83747729  0.47306495
   0.93419878  0.93770474  0.86276428
   0.95900250  0.90218258  0.65597914
   0.72579174  0.92969456  0.75257306
   0.80151253  0.65918554  0.96141528
   0.56342313  0.60756740  0.91292097
   0.71596809  0.80478673  0.60624561
   0.73211537  0.87954890  0.44894376
   0.86354531  0.17792969  0.10320647
   0.77196831  0.39649503  0.32813109
   0.34862196  0.05244428  0.67028277
   0.26078291  0.69308442  0.76892060
   0.06395180  1.03549707  0.25815498
   0.21787931  0.96058875 -0.04919969
   0.68461338  0.25537065  0.80532901
   0.89119495  0.37200841  0.60114775
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987333   -0.309212   -0.005931
    -0.000000    9.980510   -0.010735
    -0.000000   -0.000000   13.782319
   Si   O    H 
    32    64    10
Direct configuration=   151
   0.19146432  0.14223682  0.01762862
   0.40637374  0.08348752  0.37825100
   0.16393869  0.40176251  0.12737732
   0.40918831  0.33209348  0.25801050
   0.15872300  0.14083232  0.49775671
   0.42221822  0.09672992  0.88006332
   0.11582704  0.38401527  0.61003496
   0.35027669  0.35677533  0.75945465
   0.15063214  0.65997830  0.00672892
   0.39749094  0.57821701  0.37723749
   0.08715462  0.91247170  0.14584410
   0.34354240  0.83154039  0.25292192
   0.14829428  0.63617479  0.49567068
   0.40333931  0.60626846  0.88800921
   0.10882698  0.89351656  0.61441770
   0.35897130  0.90766699  0.71404681
   0.65945890  0.15462676  1.00319884
   0.89769414  0.10935286  0.37809710
   0.65751911  0.41530313  0.12079806
   0.90349083  0.27077761  0.17790239
   0.65632247  0.15730450  0.51568175
   0.92464637  0.09234910  0.89115133
   0.60362221  0.42752147  0.62912387
   0.80462873  0.33790463  0.79368535
   0.65528662  0.66338942 -0.00145433
   0.88600718  0.59747949  0.37062726
   0.58134610  0.91222010  0.13049832
   0.82489065  0.85760707  0.25695687
   0.64344989  0.67274829  0.49165567
   0.91045776  0.61756206  0.88048233
   0.63676550  0.91981786  0.65481579
   0.87982649  0.85950719  0.75940344
   0.16029608  0.05901231  0.11457657
   0.37024689  0.17967743  0.28662862
   0.18431891  0.31222195  0.03674791
   0.40998882  0.42160582  0.35864973
   0.54436802  0.34807476  0.19572231
   0.30528039  0.40119835  0.18664644
   0.30408565  0.09990316  0.46841314
   0.05761576  0.09024637  0.41591692
   0.14240034  0.04672127  0.59676826
   0.37172956  0.20623745  0.80239665
   0.16896812  0.29543986  0.51788025
   0.36242272  0.45608387  0.84766197
   0.45388842  0.37262720  0.66688602
   0.19919922  0.36138509  0.70670995
   0.34432062  0.11846893 -0.02133214
   0.05363027  0.13348877  0.95167400
   0.12829206  0.54915609  0.09138949
   0.36578792  0.67339188  0.28489054
   0.11512704  0.80259847  0.05589127
   0.38392089  0.93083996  0.34784969
   0.43081959  0.87217091  0.15888818
   0.18753596  0.85897993  0.23271443
   0.30962421  0.60894916  0.47589542
   0.04970368  0.59073986  0.40957323
   0.09536140  0.54037202  0.58011239
   0.35372437  0.70500526  0.80357814
   0.12794895  0.79503447  0.51998156
   0.39264903  0.94914283  0.83571753
   0.49055697  0.83955665  0.66842222
   0.21449470  0.83657305  0.69406354
   0.30219282  0.62789948 -0.02360289
   0.06330428  0.64697519  0.90641540
   0.59214650  0.06785788  0.09726082
   0.87342242  0.20266140  0.28802578
   0.65517912  0.31573765  0.02479230
   0.84254416  0.43691150  0.36339341
   0.04642837  0.35042918  0.20107703
   0.79652487  0.39512600  0.17764756
   0.80496943  0.14954900  0.47092108
   0.54814900  0.12757728  0.42880992
   0.61371803  0.07138036  0.61438065
   0.88034871  0.18437020  0.79729824
   0.63601110  0.31645425  0.54708836
   0.87983838  0.45718880  0.86080633
   0.96384354  0.34133624  0.63060951
   0.73457402  0.43987907  0.70428945
   0.80377906  0.11357843  0.97792555
   0.57114545  0.12477663  0.90889215
   0.63877742  0.56853746  0.09485790
   0.84377684  0.70764404  0.29192427
   0.60833414  0.80869557  0.03551118
   0.84665840  0.95111661  0.35711911
   0.91966491  0.90967990  0.16957582
   0.67295257  0.87636829  0.22287634
   0.80680322  0.62701272  0.47136830
   0.54475570  0.61523750  0.40673923
   0.60176024  0.58779391  0.58892623
   0.88960707  0.70027626  0.78103093
   0.64509203  0.83591636  0.47270251
   0.93465563  0.93727806  0.86349063
   0.95815907  0.90284755  0.65632725
   0.72591313  0.92961580  0.75451831
   0.80154285  0.66076099  0.96188962
   0.56368422  0.60814025  0.91392063
   0.72399020  0.80206749  0.61222318
   0.74732661  0.88218136  0.44585499
   0.85919589  0.18023623  0.10027252
   0.77682934  0.39373667  0.32505238
   0.34551770  0.05400862  0.66932204
   0.26601817  0.69601643  0.77507108
   0.06107567  1.03672808  0.25734199
   0.22082579  0.96891669 -0.04654063
   0.68442933  0.25543822  0.81040353
   0.88595553  0.37293808  0.59416901
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986641   -0.309351   -0.003123
    -0.000000    9.979149   -0.008348
    -0.000000   -0.000000   13.783709
   Si   O    H 
    32    64    10
Direct configuration=   152
   0.19160852  0.14145401  0.01845377
   0.40592658  0.08590155  0.37862481
   0.16452611  0.40120198  0.12667492
   0.40950644  0.33273451  0.25802380
   0.15927770  0.14003487  0.49755305
   0.42330520  0.09814403  0.87971306
   0.11481206  0.38473525  0.60919955
   0.35116050  0.35584827  0.75933348
   0.15131766  0.66020549  0.00767438
   0.39764589  0.57929090  0.37707318
   0.08670095  0.91461631  0.14470940
   0.34390776  0.83037495  0.25364232
   0.14802777  0.63683820  0.49651425
   0.40342226  0.60638609  0.88770504
   0.10900163  0.89355711  0.61419404
   0.35946224  0.90802351  0.71364231
   0.65822640  0.15363808  1.00418093
   0.89836374  0.10975561  0.37746044
   0.65832692  0.41494209  0.12096543
   0.90367265  0.27001645  0.17727789
   0.65591151  0.15824686  0.51596478
   0.92433644  0.09141988  0.89085576
   0.60316153  0.42843061  0.62904586
   0.80524072  0.33812162  0.79398893
   0.65663025  0.66227505 -0.00098112
   0.88657239  0.59692692  0.37128050
   0.58021915  0.91123655  0.13081049
   0.82533951  0.85724622  0.25594232
   0.64483178  0.67252914  0.49145734
   0.90962260  0.61850279  0.87923535
   0.63662677  0.91990300  0.65560316
   0.87985439  0.86121677  0.75920799
   0.16160745  0.05892764  0.11302293
   0.37129358  0.18003710  0.28686622
   0.18353512  0.31248665  0.03931806
   0.40988287  0.42162423  0.35659364
   0.54560133  0.34783636  0.19581332
   0.30393116  0.40226587  0.18556730
   0.30592149  0.10000535  0.46824259
   0.05570725  0.08782171  0.41607112
   0.14291135  0.04704384  0.59545297
   0.37154221  0.20623219  0.80196040
   0.16868339  0.29560875  0.51773166
   0.36142088  0.45552685  0.84795502
   0.45327744  0.37300223  0.66626798
   0.19971328  0.36284379  0.70753974
   0.34399226  0.11956543 -0.02160501
   0.05227483  0.13353968  0.95111092
   0.12680365  0.54931052  0.09093394
   0.36372751  0.67381176  0.28541534
   0.11489847  0.80287898  0.05672499
   0.38457634  0.93003538  0.34700721
   0.42975834  0.87193338  0.16002794
   0.18626517  0.85823107  0.23257023
   0.30891385  0.60819189  0.47471324
   0.04843734  0.59103320  0.41122104
   0.09278642  0.54027814  0.57962756
   0.35358903  0.70443588  0.80476129
   0.12652397  0.79483107  0.52025614
   0.39298969  0.95174448  0.83691069
   0.49192198  0.83838297  0.66844989
   0.21373323  0.83737376  0.69458319
   0.30117073  0.62741928 -0.02356332
   0.06280557  0.64639834  0.90689612
   0.59431023  0.06828738  0.09823559
   0.87380191  0.20266920  0.28722459
   0.65697758  0.31431074  0.02423630
   0.84269995  0.43821300  0.36314545
   0.04609232  0.35164596  0.20060224
   0.79604652  0.39483736  0.17730771
   0.80573055  0.15126262  0.46995422
   0.54848417  0.12552201  0.42799793
   0.61372220  0.07443269  0.61506835
   0.87967981  0.18184213  0.79716506
   0.63663740  0.31822834  0.54572914
   0.87993177  0.45724809  0.86057159
   0.96299702  0.34052722  0.62929862
   0.73465163  0.43978525  0.70398514
   0.80310582  0.11251957  0.97898991
   0.56756515  0.12553918  0.90949157
   0.63995245  0.56798791  0.09629976
   0.84446375  0.70812110  0.29268714
   0.60789639  0.80706334  0.03642622
   0.84502604  0.95008221  0.35749507
   0.91966088  0.91156077  0.17059288
   0.67315492  0.87639357  0.22340526
   0.80714130  0.62604571  0.47199289
   0.54358016  0.61689111  0.40813667
   0.60200722  0.58777538  0.58799988
   0.88913236  0.70159954  0.78121427
   0.64830241  0.83480629  0.47230035
   0.93440483  0.93645451  0.86411501
   0.95687959  0.90361953  0.65636722
   0.72620289  0.92943240  0.75617557
   0.80221749  0.66265672  0.96264685
   0.56374944  0.60839911  0.91433277
   0.72742312  0.80428583  0.61870280
   0.75132318  0.88164577  0.44486347
   0.85870905  0.18129070  0.09623949
   0.77707499  0.38610424  0.31328240
   0.34611784  0.04613032  0.66936536
   0.26783994  0.69194828  0.77966682
   0.05631007  1.04060413  0.25929090
   0.22043580  0.97491180 -0.04398646
   0.67937689  0.25462951  0.81601089
   0.88310306  0.37128544  0.58822760
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986396   -0.308819   -0.000338
    -0.000000    9.978031   -0.005175
    -0.000000   -0.000000   13.784967
   Si   O    H 
    32    64    10
Direct configuration=   153
   0.19166115  0.14056033  0.01884407
   0.40533408  0.08813933  0.37912764
   0.16467160  0.40083582  0.12650973
   0.40983809  0.33370077  0.25740723
   0.15946648  0.13853279  0.49712567
   0.42371063  0.09936482  0.87906791
   0.11449068  0.38590950  0.60821273
   0.35166989  0.35490800  0.75883836
   0.15168098  0.65985524  0.00856173
   0.39726448  0.58036947  0.37717152
   0.08561182  0.91678447  0.14372106
   0.34383543  0.82894565  0.25400042
   0.14776391  0.63811815  0.49680764
   0.40336048  0.60620670  0.88762926
   0.10930012  0.89382718  0.61377941
   0.35947492  0.90930868  0.71287236
   0.65674722  0.15207080  1.00550086
   0.89852227  0.11002845  0.37685388
   0.65948202  0.41431094  0.12119420
   0.90430223  0.26975249  0.17742429
   0.65516506  0.15900866  0.51638152
   0.92337102  0.09027365  0.89079000
   0.60287753  0.42928612  0.62872266
   0.80538529  0.33807174  0.79387387
   0.65748125  0.66119021 -0.00062539
   0.88761517  0.59584379  0.37247377
   0.57919416  0.91017112  0.13097783
   0.82594254  0.85682025  0.25498473
   0.64678763  0.67229178  0.49160576
   0.90822097  0.61878869  0.87780580
   0.63654373  0.91949660  0.65641153
   0.87975284  0.86310440  0.75935620
   0.16291495  0.05864288  0.11164934
   0.37149856  0.18055727  0.28768696
   0.18289691  0.31183404  0.04170220
   0.40963407  0.42220037  0.35490045
   0.54713355  0.34718935  0.19632930
   0.30251081  0.40269152  0.18462763
   0.30707531  0.09947674  0.46812575
   0.05334779  0.08535984  0.41611312
   0.14377682  0.04768453  0.59394022
   0.37103112  0.20716466  0.80192150
   0.16914522  0.29621467  0.51814968
   0.36140883  0.45518402  0.84872933
   0.45392495  0.37358036  0.66530668
   0.19985417  0.36329702  0.70854083
   0.34291216  0.12111849 -0.02121607
   0.05156170  0.13313284  0.95072560
   0.12526457  0.55020899  0.09044077
   0.36223486  0.67442944  0.28617493
   0.11404670  0.80227856  0.05740315
   0.38547050  0.92958486  0.34602824
   0.42916341  0.87144108  0.16100567
   0.18471497  0.85724689  0.23233295
   0.30748395  0.60734399  0.47322066
   0.04717278  0.59204144  0.41191228
   0.09032371  0.54027614  0.57981259
   0.35431712  0.70451790  0.80585819
   0.12540985  0.79395298  0.52108039
   0.39285328  0.95445423  0.83788084
   0.49395978  0.83685783  0.66868330
   0.21263627  0.83791253  0.69462940
   0.30071343  0.62709435 -0.02408756
   0.06185957  0.64543474  0.90720577
   0.59673990  0.06924374  0.09949136
   0.87376340  0.20305526  0.28543931
   0.65850853  0.31362809  0.02390260
   0.84300101  0.43882636  0.36256363
   0.04633674  0.35245509  0.20038555
   0.79536285  0.39445370  0.17670052
   0.80598743  0.15324032  0.46930673
   0.54934267  0.12347451  0.42786740
   0.61277668  0.07690903  0.61511217
   0.87900385  0.18016995  0.79692399
   0.63721198  0.31916929  0.54436583
   0.88005414  0.45752122  0.86090286
   0.96121651  0.33926697  0.62757794
   0.73452056  0.43914341  0.70361737
   0.80339454  0.11087628  0.97919046
   0.56642558  0.12689183  0.91025950
   0.64101260  0.56771462  0.09749618
   0.84563668  0.70786402  0.29328842
   0.60748891  0.80615302  0.03740633
   0.84325504  0.94916025  0.35779639
   0.92077669  0.91341133  0.17154866
   0.67342023  0.87608048  0.22377454
   0.80699772  0.62518962  0.47313882
   0.54176483  0.61908720  0.40963564
   0.60184925  0.58749820  0.58665717
   0.88826096  0.70279696  0.78136193
   0.65156388  0.83345772  0.47168866
   0.93404952  0.93537159  0.86418584
   0.95578476  0.90369917  0.65680445
   0.72664694  0.92833123  0.75742687
   0.80302244  0.66435048  0.96327878
   0.56366278  0.60755931  0.91447980
   0.72398645  0.80963361  0.62269216
   0.74211038  0.87750078  0.44756487
   0.86232643  0.17549957  0.09301433
   0.79041615  0.38915198  0.31025809
   0.34926397  0.03709535  0.67113872
   0.26051272  0.68174124  0.78130838
   0.05142824  1.04406605  0.26081058
   0.21875122  0.97933196 -0.04162606
   0.67582590  0.25654938  0.82070265
   0.88991674  0.36509585  0.58623715
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986607   -0.308480    0.002966
    -0.000000    9.976822   -0.002463
    -0.000000   -0.000000   13.785823
   Si   O    H 
    32    64    10
Direct configuration=   154
   0.19147306  0.14035227  0.01891050
   0.40497815  0.08992326  0.37967398
   0.16455018  0.40099744  0.12683547
   0.41020177  0.33451514  0.25681813
   0.15904610  0.13708238  0.49707228
   0.42409476  0.10015989  0.87848247
   0.11372287  0.38726457  0.60764395
   0.35195323  0.35372617  0.75840036
   0.15144033  0.65986236  0.00891151
   0.39710389  0.58098474  0.37732378
   0.08444501  0.91806445  0.14275365
   0.34374563  0.82786673  0.25424144
   0.14673023  0.63873881  0.49686819
   0.40319658  0.60601987  0.88779741
   0.10912746  0.89377069  0.61386577
   0.35974948  0.90960421  0.71245070
   0.65452963  0.15052395  1.00608563
   0.89917304  0.10944816  0.37649602
   0.65997701  0.41340568  0.12121296
   0.90508617  0.26992331  0.17786464
   0.65480294  0.16013524  0.51633947
   0.92188256  0.08964081  0.89071106
   0.60294460  0.43047861  0.62853158
   0.80551891  0.33796524  0.79376708
   0.65830262  0.65960791 -0.00043782
   0.88835099  0.59451455  0.37378229
   0.57769044  0.90970950  0.13106604
   0.82608140  0.85664483  0.25480120
   0.64837581  0.67152460  0.49186572
   0.90695903  0.61931084  0.87673714
   0.63701977  0.91941937  0.65740376
   0.87971925  0.86523023  0.75959360
   0.16396556  0.05763557  0.11114671
   0.37123847  0.18173873  0.28795043
   0.18255023  0.30942181  0.04294513
   0.40898555  0.42259433  0.35298981
   0.54909276  0.34678453  0.19678678
   0.30130131  0.40318801  0.18390357
   0.30877821  0.09914437  0.46808348
   0.05103150  0.08395446  0.41613504
   0.14401708  0.04823424  0.59299941
   0.37004426  0.20836831  0.80203170
   0.16927833  0.29662295  0.51869853
   0.36123158  0.45504802  0.84895579
   0.45432539  0.37356494  0.66527551
   0.20039655  0.36346976  0.70921223
   0.34178118  0.12260375 -0.02064972
   0.05187215  0.13405206  0.95100730
   0.12332639  0.55128460  0.09005329
   0.35984973  0.67548510  0.28681680
   0.11341352  0.80208584  0.05767194
   0.38612290  0.92881939  0.34496923
   0.42794608  0.87044965  0.16190412
   0.18314531  0.85670913  0.23227927
   0.30656040  0.60706408  0.47243293
   0.04520761  0.59292963  0.41221548
   0.08803140  0.54063690  0.58004058
   0.35473297  0.70413478  0.80706609
   0.12446124  0.79355659  0.52157951
   0.39254926  0.95653874  0.83845411
   0.49453772  0.83473762  0.66877427
   0.21182166  0.83780113  0.69521212
   0.30137170  0.62619495 -0.02406588
   0.06069535  0.64419408  0.90709422
   0.59830766  0.07003677  0.10080093
   0.87323936  0.20365028  0.28384908
   0.65993316  0.31222960  0.02411959
   0.84325510  0.43783443  0.36206715
   0.04670807  0.35215174  0.19995957
   0.79489832  0.39345447  0.17620408
   0.80681574  0.15449158  0.46918098
   0.55030417  0.12208358  0.42746122
   0.61261858  0.07886723  0.61520978
   0.87957963  0.17849293  0.79714041
   0.63846166  0.32082052  0.54309244
   0.88011191  0.45756324  0.86137127
   0.95965261  0.33804369  0.62600790
   0.73434625  0.43874321  0.70384531
   0.80371593  0.10895131  0.97914252
   0.56726138  0.12849004  0.91095263
   0.64180726  0.56713860  0.09816052
   0.84630050  0.70670221  0.29358732
   0.60648168  0.80497630  0.03881932
   0.84219460  0.94848961  0.35796055
   0.92239280  0.91510237  0.17151495
   0.67437064  0.87632982  0.22410339
   0.80572070  0.62512445  0.47416838
   0.54147659  0.62080379  0.41146464
   0.60142518  0.58616917  0.58571231
   0.88742912  0.70405360  0.78100308
   0.65530573  0.83256411  0.47106091
   0.93321989  0.93344345  0.86410280
   0.95476579  0.90358367  0.65756759
   0.72716951  0.92716513  0.75807767
   0.80506857  0.66534139  0.96441074
   0.56285535  0.60584682  0.91461610
   0.71921189  0.81757633  0.62488874
   0.72926475  0.86966351  0.45155149
   0.87040147  0.17058536  0.09149571
   0.80866777  0.39932602  0.31123250
   0.35407088  0.03582277  0.67037884
   0.25888843  0.67322643  0.78286568
   0.05031936  1.04339343  0.26359942
   0.21528262  0.98365806 -0.03750892
   0.67511123  0.26269920  0.82668499
   0.89316153  0.36189031  0.58212264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986779   -0.307687    0.005914
    -0.000000    9.975479   -0.000062
    -0.000000   -0.000000   13.786975
   Si   O    H 
    32    64    10
Direct configuration=   155
   0.19109098  0.14088535  0.01835522
   0.40429449  0.09111761  0.37998449
   0.16416947  0.40139102  0.12736537
   0.41069578  0.33540052  0.25640148
   0.15912307  0.13622697  0.49673302
   0.42350247  0.10145594  0.87826094
   0.11347199  0.38772233  0.60758498
   0.35203352  0.35273002  0.75762780
   0.15123949  0.65973824  0.00971892
   0.39669069  0.58187533  0.37798918
   0.08361687  0.91887980  0.14240313
   0.34351118  0.82733088  0.25451733
   0.14583493  0.63921878  0.49661219
   0.40310163  0.60580065  0.88862257
   0.10879742  0.89447369  0.61406993
   0.36023888  0.90969737  0.71268079
   0.65227584  0.14967809  1.00630880
   0.89953736  0.10853476  0.37592106
   0.65998218  0.41184130  0.12111944
   0.90614072  0.26973550  0.17780809
   0.65439495  0.16111190  0.51621618
   0.91987455  0.08923304  0.89095632
   0.60245267  0.43124441  0.62829626
   0.80506904  0.33775238  0.79404563
   0.65869692  0.65816110  0.00015518
   0.88930173  0.59266632  0.37526697
   0.57672014  0.90923002  0.13064503
   0.82610549  0.85674006  0.25491544
   0.64976759  0.67039283  0.49169132
   0.90603735  0.61919276  0.87618646
   0.63756046  0.91923584  0.65859489
   0.87966659  0.86720364  0.75983754
   0.16432047  0.05596010  0.11141985
   0.37071396  0.18183652  0.28858010
   0.18229349  0.30577302  0.04278122
   0.40774271  0.42297093  0.35118717
   0.55088093  0.34606637  0.19717853
   0.30054071  0.40360298  0.18378758
   0.30995158  0.09797003  0.46748281
   0.04870911  0.08389789  0.41625981
   0.14405748  0.04867965  0.59220488
   0.36880972  0.20949123  0.80197183
   0.16884206  0.29764488  0.51863109
   0.36022758  0.45518677  0.84856901
   0.45514670  0.37373005  0.66485748
   0.20096283  0.36308397  0.70969563
   0.34084771  0.12343085 -0.01968523
   0.05264967  0.13540605  0.95170395
   0.12185820  0.55207827  0.08979573
   0.35793505  0.67514657  0.28677664
   0.11316230  0.80190008  0.05754225
   0.38682890  0.92807080  0.34391750
   0.42755674  0.86891347  0.16254970
   0.18148764  0.85541537  0.23206177
   0.30613738  0.60679832  0.47236777
   0.04253831  0.59380080  0.41140683
   0.08645789  0.54083050  0.58048091
   0.35495754  0.70391243  0.80722833
   0.12261406  0.79377786  0.52262636
   0.39187981  0.95760937  0.83872434
   0.49448902  0.83326296  0.66905653
   0.21041040  0.83686358  0.69554870
   0.30195540  0.62575171 -0.02352119
   0.06072605  0.64272538  0.90723244
   0.60000117  0.06978073  0.10226071
   0.87352050  0.20441112  0.28255567
   0.66095228  0.31086535  0.02447609
   0.84385133  0.43817491  0.36253545
   0.04627392  0.35165644  0.19983603
   0.79482723  0.39237885  0.17607368
   0.80738947  0.15574587  0.46972780
   0.55168038  0.12060071  0.42669174
   0.61331958  0.08043974  0.61549885
   0.88094654  0.17712758  0.79781945
   0.64031604  0.32293030  0.54181499
   0.88008781  0.45703406  0.86202520
   0.95957550  0.33661380  0.62521063
   0.73519502  0.43805732  0.70375519
   0.80391205  0.10649817  0.97835659
   0.56899470  0.13018944  0.91195464
   0.64137548  0.56563034  0.09875019
   0.84646746  0.70506520  0.29376654
   0.60566556  0.80429144  0.04001985
   0.84101061  0.94713510  0.35731509
   0.92452061  0.91673596  0.17154951
   0.67536727  0.87720709  0.22427138
   0.80489010  0.62514802  0.47531516
   0.54061530  0.62267815  0.41280118
   0.60127255  0.58454844  0.58469720
   0.88704826  0.70584927  0.78029058
   0.65678512  0.83067637  0.47106367
   0.93316154  0.93146772  0.86368491
   0.95367575  0.90319373  0.65762553
   0.72770945  0.92678687  0.75875909
   0.80782491  0.66710585  0.96479221
   0.56179098  0.60521414  0.91465082
   0.71686416  0.82072683  0.62106762
   0.74341117  0.87810538  0.44777346
   0.88081255  0.17228336  0.09744969
   0.81435265  0.39648563  0.29831687
   0.35845214  0.04074630  0.66676512
   0.26402472  0.67078329  0.78942725
   0.04890371  1.04423917  0.26890036
   0.20786913  0.98778149 -0.03497318
   0.67929184  0.27260361  0.83179567
   0.88869932  0.36098561  0.57259081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987136   -0.306547    0.008841
    -0.000000    9.974246    0.002495
    -0.000000   -0.000000   13.788094
   Si   O    H 
    32    64    10
Direct configuration=   156
   0.19036729  0.14185139  0.01759806
   0.40436280  0.09176776  0.37945402
   0.16396381  0.40171258  0.12835788
   0.41159537  0.33619401  0.25598460
   0.15986685  0.13580123  0.49667149
   0.42279314  0.10277676  0.87795847
   0.11335942  0.38800364  0.60760595
   0.35228733  0.35203498  0.75700440
   0.15148233  0.65939843  0.01021730
   0.39605377  0.58252767  0.37885874
   0.08331527  0.91906059  0.14252595
   0.34363813  0.82719514  0.25470356
   0.14508560  0.63985536  0.49637355
   0.40307572  0.60546987  0.88949078
   0.10754136  0.89554737  0.61459543
   0.36005982  0.91015007  0.71286231
   0.65066830  0.14885583  1.00687910
   0.89998297  0.10765824  0.37509328
   0.65996617  0.41007429  0.12060377
   0.90739776  0.26973882  0.17758709
   0.65359019  0.16183483  0.51567078
   0.91791606  0.08915437  0.89170543
   0.60227673  0.43199320  0.62776185
   0.80484166  0.33819035  0.79432579
   0.65902766  0.65718742  0.00099079
   0.88960922  0.59194524  0.37682639
   0.57580541  0.90838848  0.13029398
   0.82616759  0.85674694  0.25548406
   0.65060024  0.66970711  0.49176861
   0.90533731  0.61951791  0.87560902
   0.63769457  0.91894494  0.65956863
   0.87959965  0.86885203  0.76041814
   0.16488630  0.05407289  0.11249186
   0.37053434  0.18243501  0.28921948
   0.18152004  0.30123418  0.04184422
   0.40626802  0.42348946  0.34951229
   0.55258544  0.34477314  0.19684572
   0.30040360  0.40404989  0.18359738
   0.31062005  0.09732882  0.46677727
   0.04737381  0.08436769  0.41708441
   0.14413461  0.04932893  0.59178620
   0.36709999  0.21031094  0.80231268
   0.16842249  0.29926391  0.51873787
   0.35947609  0.45559950  0.84807505
   0.45523022  0.37309898  0.66355918
   0.20130411  0.36321917  0.70904710
   0.34012330  0.12418148 -0.01861884
   0.05400879  0.13732768  0.95264304
   0.12125304  0.55275956  0.08975097
   0.35598237  0.67397021  0.28652068
   0.11271868  0.80155760  0.05759272
   0.38784021  0.92769146  0.34344716
   0.42694464  0.86784583  0.16262100
   0.17993392  0.85449421  0.23271345
   0.30623159  0.60693365  0.47232960
   0.04085478  0.59532742  0.41061038
   0.08475834  0.54076821  0.58112473
   0.35505545  0.70383284  0.80677491
   0.12120716  0.79463525  0.52397383
   0.39095914  0.95787768  0.83879786
   0.49459891  0.83262210  0.66979707
   0.20934574  0.83557935  0.69554461
   0.30263628  0.62674330 -0.02314784
   0.06124690  0.64127996  0.90764798
   0.60131472  0.06899585  0.10343198
   0.87396190  0.20468483  0.28215496
   0.66245999  0.30991229  0.02476175
   0.84405792  0.43788330  0.36253540
   0.04572244  0.35056065  0.20016620
   0.79565220  0.39133063  0.17661574
   0.80741965  0.15671764  0.47090238
   0.55296701  0.11962587  0.42619688
   0.61408330  0.08162296  0.61623365
   0.88205202  0.17548859  0.79819827
   0.64159715  0.32432085  0.54048578
   0.88030124  0.45683223  0.86245839
   0.95982948  0.33473416  0.62437711
   0.73549307  0.43748211  0.70307780
   0.80387289  0.10380384  0.97753683
   0.57039545  0.13188914  0.91272217
   0.64123988  0.56570640  0.09907859
   0.84665079  0.70365809  0.29371351
   0.60454136  0.80294709  0.04138847
   0.84025477  0.94724206  0.35676346
   0.92619277  0.91814995  0.17164474
   0.67560128  0.87835721  0.22419783
   0.80494904  0.62500407  0.47574761
   0.54040014  0.62428246  0.41458462
   0.60097101  0.58268389  0.58389722
   0.88645717  0.70779248  0.77931668
   0.65765604  0.82895402  0.47077846
   0.93408562  0.92987899  0.86324375
   0.95369607  0.90335773  0.65768510
   0.72802708  0.92635249  0.75889341
   0.81121009  0.66935831  0.96458692
   0.56140743  0.60537472  0.91448380
   0.71831843  0.81839511  0.61266182
   0.75415924  0.88277796  0.44352443
   0.89106338  0.17591241  0.10482412
   0.81816202  0.40021405  0.29232399
   0.36421077  0.04395321  0.66164025
   0.26620472  0.66764200  0.79257139
   0.04363502  1.04440772  0.27337806
   0.20095810  0.98977082 -0.03299543
   0.68398860  0.28387687  0.83614450
   0.89312491  0.36001414  0.56902118
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986846   -0.305093    0.011063
    -0.000000    9.972908    0.005090
    -0.000000   -0.000000   13.789305
   Si   O    H 
    32    64    10
Direct configuration=   157
   0.18949664  0.14286504  0.01678471
   0.40453066  0.09173555  0.37922205
   0.16363810  0.40217797  0.12957449
   0.41202685  0.33682660  0.25542400
   0.16144271  0.13642947  0.49631920
   0.42218678  0.10418803  0.87779192
   0.11282567  0.38814885  0.60783031
   0.35291443  0.35165423  0.75620992
   0.15207319  0.65909164  0.01043054
   0.39474908  0.58298973  0.37949537
   0.08378931  0.91897804  0.14301012
   0.34377876  0.82708973  0.25516530
   0.14397620  0.64041347  0.49612919
   0.40305570  0.60540063  0.89047765
   0.10641675  0.89653989  0.61534731
   0.35991609  0.91103816  0.71280835
   0.64942297  0.14842398  1.00756083
   0.90040785  0.10667158  0.37401373
   0.65943895  0.40859453  0.12026269
   0.90832561  0.27039798  0.17757261
   0.65339814  0.16262566  0.51510618
   0.91650120  0.08849805  0.89270548
   0.60260818  0.43294376  0.62705822
   0.80449251  0.33853934  0.79402075
   0.65879405  0.65650341  0.00186877
   0.88956071  0.59165891  0.37828886
   0.57517975  0.90743910  0.12997707
   0.82627043  0.85703461  0.25603909
   0.65142947  0.66964057  0.49154288
   0.90493568  0.61986282  0.87546986
   0.63773102  0.91882957  0.66049723
   0.87928113  0.86998575  0.76091993
   0.16432959  0.05231153  0.11395712
   0.37053777  0.18227169  0.28977239
   0.18153388  0.29761268  0.04090665
   0.40539081  0.42447930  0.34856990
   0.55374574  0.34316767  0.19728059
   0.30109048  0.40449680  0.18370531
   0.30982801  0.09695677  0.46727631
   0.04688664  0.08515741  0.41830914
   0.14443011  0.04974546  0.59160683
   0.36564326  0.21155173  0.80306371
   0.16876776  0.30117915  0.51837807
   0.35882807  0.45654359  0.84713425
   0.45584911  0.37311243  0.66229871
   0.20153967  0.36412957  0.70826302
   0.34028990  0.12496980 -0.01796099
   0.05562985  0.13818801  0.95300649
   0.12078828  0.55268525  0.09054269
   0.35432822  0.67261887  0.28577932
   0.11284223  0.80144343  0.05788786
   0.38895190  0.92811764  0.34305749
   0.42656785  0.86792053  0.16245714
   0.17829758  0.85361778  0.23305262
   0.30509516  0.60711057  0.47250518
   0.03925171  0.59666556  0.40965187
   0.08337589  0.54076818  0.58196830
   0.35510546  0.70399879  0.80589378
   0.12027909  0.79580009  0.52518898
   0.38995983  0.95687267  0.83857119
   0.49509147  0.83211000  0.67090493
   0.20809937  0.83475404  0.69592864
   0.30334178  0.62852256 -0.02269752
   0.06241209  0.63925366  0.90829295
   0.60293022  0.06801906  0.10427820
   0.87483680  0.20438014  0.28229544
   0.66479959  0.30919224  0.02494036
   0.84425755  0.43772745  0.36170211
   0.04587014  0.34891723  0.20007381
   0.79663924  0.39065396  0.17718493
   0.80767783  0.15824638  0.47183388
   0.55399374  0.11873482  0.42547776
   0.61318276  0.08223846  0.61694030
   0.88328343  0.17445736  0.79834820
   0.64326735  0.32553894  0.53953192
   0.88023488  0.45638291  0.86271663
   0.95921135  0.33235244  0.62380496
   0.73593771  0.43662984  0.70267279
   0.80436693  0.10160061  0.97681680
   0.57099663  0.13298109  0.91320842
   0.64169595  0.56574086  0.09917560
   0.84650612  0.70165304  0.29394493
   0.60364213  0.80179141  0.04272732
   0.84053999  0.94828967  0.35654241
   0.92739665  0.92033462  0.17140605
   0.67524948  0.87963941  0.22366572
   0.80392619  0.62501903  0.47530223
   0.54008428  0.62579021  0.41653521
   0.60088779  0.58106917  0.58393644
   0.88614160  0.70996253  0.77835074
   0.65882679  0.82810135  0.47086539
   0.93436839  0.92920421  0.86246519
   0.95369472  0.90333115  0.65790330
   0.72852450  0.92644201  0.75929834
   0.81477064  0.67205325  0.96467964
   0.56123072  0.60668238  0.91460234
   0.71768138  0.81537197  0.60232564
   0.75334935  0.88112312  0.44121479
   0.90243969  0.17302305  0.10773197
   0.82353069  0.41019471  0.29439926
   0.37117461  0.04196460  0.65588906
   0.26354981  0.66293290  0.79432052
   0.03545592  1.04075631  0.27972181
   0.19732320  0.98863351 -0.03371403
   0.68318852  0.29398538  0.84315888
   0.90278684  0.35741494  0.57250027
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986883   -0.303380    0.012845
    -0.000000    9.971337    0.008058
    -0.000000   -0.000000   13.790295
   Si   O    H 
    32    64    10
Direct configuration=   158
   0.18898420  0.14357750  0.01582279
   0.40486748  0.09106334  0.37878469
   0.16316288  0.40238317  0.13059064
   0.41186267  0.33737643  0.25460731
   0.16337554  0.13762264  0.49595430
   0.42146323  0.10516898  0.87771860
   0.11315451  0.38818536  0.60819352
   0.35342475  0.35162728  0.75571225
   0.15274948  0.65939074  0.01068227
   0.39363436  0.58368615  0.37976090
   0.08482624  0.91804706  0.14345282
   0.34363057  0.82759207  0.25581290
   0.14260804  0.64014511  0.49538674
   0.40349697  0.60514899  0.89112313
   0.10490519  0.89743313  0.61611255
   0.35979529  0.91190046  0.71288252
   0.64925274  0.14780760  1.00842156
   0.90027378  0.10497383  0.37356657
   0.65835026  0.40727643  0.12015142
   0.90932297  0.27115578  0.17759614
   0.65347007  0.16311680  0.51419721
   0.91510205  0.08766881  0.89450199
   0.60296955  0.43305995  0.62662381
   0.80375768  0.33940636  0.79344853
   0.65814043  0.65585696  0.00258613
   0.88919775  0.59152034  0.37966869
   0.57532085  0.90662591  0.13001087
   0.82683858  0.85699832  0.25615219
   0.65233970  0.66933630  0.49146598
   0.90434101  0.61950344  0.87562669
   0.63813318  0.91864636  0.66117756
   0.87897465  0.87119139  0.76158275
   0.16389348  0.05053363  0.11572968
   0.36962237  0.18196582  0.28945909
   0.18258003  0.29406229  0.04063780
   0.40398850  0.42586213  0.34850586
   0.55427918  0.34165698  0.19821836
   0.30275368  0.40496157  0.18397533
   0.30793425  0.09611028  0.46810827
   0.04682098  0.08683762  0.41953710
   0.14416566  0.04921745  0.59231102
   0.36442352  0.21217131  0.80336847
   0.16970824  0.30287203  0.51791865
   0.35789496  0.45790402  0.84602485
   0.45616190  0.37306982  0.66142536
   0.20194704  0.36489564  0.70686624
   0.34026566  0.12562355 -0.01737301
   0.05608086  0.13793221  0.95293690
   0.12060161  0.55157624  0.09146877
   0.35277125  0.67159320  0.28544322
   0.11278469  0.80233460  0.05781860
   0.38910670  0.92904007  0.34327544
   0.42667643  0.86758706  0.16165504
   0.17687931  0.85270169  0.23357500
   0.30278080  0.60784999  0.47322834
   0.03925249  0.59808905  0.40862315
   0.08196730  0.54120170  0.58266702
   0.35442009  0.70351837  0.80451955
   0.11974193  0.79770527  0.52607098
   0.38894950  0.95559704  0.83844117
   0.49491349  0.83200121  0.67269290
   0.20812694  0.83449635  0.69619231
   0.30445836  0.63018160 -0.02214038
   0.06449142  0.63702785  0.90925795
   0.60493135  0.06736291  0.10483854
   0.87534026  0.20461892  0.28242995
   0.66633583  0.30934731  0.02480512
   0.84405404  0.43751645  0.36083298
   0.04698732  0.34777220  0.20027738
   0.79774307  0.39017304  0.17733937
   0.80883895  0.15917057  0.47286381
   0.55428150  0.11810579  0.42469662
   0.61187351  0.08182473  0.61767137
   0.88553643  0.17388368  0.79849814
   0.64466811  0.32637677  0.53910838
   0.87970689  0.45526860  0.86240369
   0.95787212  0.33025364  0.62365891
   0.73662401  0.43547402  0.70248532
   0.80494989  0.10038918  0.97640947
   0.57128197  0.13302374  0.91321002
   0.64176498  0.56633726  0.09928090
   0.84574900  0.69999166  0.29402343
   0.60261452  0.80045431  0.04407945
   0.84115003  0.94891089  0.35592140
   0.92797622  0.92194900  0.17121433
   0.67446283  0.88054784  0.22322586
   0.80342682  0.62487756  0.47521559
   0.53987208  0.62700084  0.41784066
   0.59911919  0.57891664  0.58377553
   0.88590408  0.71135466  0.77733456
   0.65989329  0.82742660  0.47070838
   0.93407253  0.92906802  0.86159733
   0.95358897  0.90267879  0.65823636
   0.72918569  0.92600745  0.75939650
   0.81763236  0.67472725  0.96499248
   0.56100041  0.60752803  0.91476770
   0.71063265  0.81847932  0.59503911
   0.74692304  0.87809499  0.43979714
   0.91216266  0.16867362  0.10276294
   0.82513276  0.41912558  0.29798559
   0.37618372  0.03697139  0.65299311
   0.26078655  0.66050874  0.79764369
   0.02879062  1.03554624  0.28465221
   0.19892061  0.98417180 -0.03599861
   0.67874573  0.29848184  0.84754771
   0.90228396  0.35416269  0.57252011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987129   -0.301172    0.014334
    -0.000000    9.970055    0.010822
    -0.000000   -0.000000   13.791619
   Si   O    H 
    32    64    10
Direct configuration=   159
   0.18820174  0.14451643  0.01472477
   0.40496964  0.08971075  0.37821766
   0.16259896  0.40262838  0.13128465
   0.41174525  0.33765153  0.25350610
   0.16465574  0.13856720  0.49557619
   0.42078382  0.10616986  0.87843911
   0.11378999  0.38738469  0.60873933
   0.35418670  0.35170414  0.75536288
   0.15338833  0.66018354  0.01047568
   0.39270928  0.58408320  0.37979712
   0.08635324  0.91694996  0.14414769
   0.34338350  0.82828455  0.25644329
   0.14094947  0.63929914  0.49458851
   0.40412893  0.60435046  0.89113129
   0.10376934  0.89815682  0.61707505
   0.36039627  0.91303765  0.71317735
   0.64998502  0.14697330  1.00951067
   0.90024830  0.10295107  0.37351353
   0.65698929  0.40579802  0.12008032
   0.91035810  0.27240168  0.17733812
   0.65359927  0.16357405  0.51359226
   0.91391770  0.08651754  0.89631094
   0.60403675  0.43306314  0.62654490
   0.80363689  0.34026825  0.79285015
   0.65769180  0.65508759  0.00328928
   0.88879508  0.59163228  0.38045486
   0.57562564  0.90631379  0.13009987
   0.82743973  0.85694178  0.25591816
   0.65311273  0.66900489  0.49160536
   0.90373316  0.61909566  0.87619015
   0.63806603  0.91805187  0.66116000
   0.87852740  0.87151188  0.76207844
   0.16267538  0.04969564  0.11757887
   0.36865037  0.18176008  0.28949358
   0.18361453  0.29223739  0.04104721
   0.40280224  0.42665750  0.34897420
   0.55525583  0.33958393  0.19850421
   0.30488413  0.40623362  0.18435153
   0.30671139  0.09479645  0.46928853
   0.04685146  0.08917476  0.42062184
   0.14270066  0.04816825  0.59299967
   0.36273820  0.21221266  0.80430970
   0.17050426  0.30407378  0.51815386
   0.35681396  0.45950128  0.84460019
   0.45654679  0.37283436  0.66133732
   0.20286478  0.36589799  0.70523183
   0.33977420  0.12647816 -0.01680303
   0.05512851  0.13779730  0.95262283
   0.12064205  0.55143587  0.09252328
   0.35197750  0.67117601  0.28504655
   0.11328241  0.80341040  0.05750738
   0.38833144  0.92959333  0.34371902
   0.42747658  0.86660053  0.16055704
   0.17590416  0.85168997  0.23400031
   0.30002357  0.60934067  0.47421146
   0.04049962  0.60026814  0.40764793
   0.08064062  0.54272265  0.58313569
   0.35339393  0.70301852  0.80344066
   0.11930187  0.79879320  0.52669255
   0.38824520  0.95449525  0.83773443
   0.49492004  0.83296567  0.67423056
   0.20834490  0.83543094  0.69668631
   0.30491322  0.63123750 -0.02121453
   0.06620206  0.63575877  0.91021818
   0.60582139  0.06622029  0.10516910
   0.87546460  0.20505465  0.28288619
   0.66676813  0.30880969  0.02472070
   0.84332469  0.43715350  0.36091856
   0.04761898  0.34696622  0.20078571
   0.79896905  0.38966862  0.17742137
   0.81053320  0.15965182  0.47340619
   0.55460990  0.11760691  0.42401509
   0.61041472  0.08144423  0.61821138
   0.88779766  0.17332375  0.79818476
   0.64556480  0.32725408  0.53864699
   0.87952943  0.45446900  0.86254908
   0.95692469  0.32891725  0.62425372
   0.73682324  0.43454134  0.70265621
   0.80531104  0.09817302  0.97660144
   0.57191400  0.13333708  0.91324653
   0.64169316  0.56664988  0.09933003
   0.84503159  0.69791809  0.29367830
   0.60181626  0.79872108  0.04505549
   0.84156143  0.94939937  0.35504017
   0.92872133  0.92407022  0.17106838
   0.67395319  0.88179562  0.22311033
   0.80305385  0.62445135  0.47489813
   0.53988158  0.62846108  0.41829254
   0.59797435  0.57814872  0.58347097
   0.88567386  0.71320191  0.77649645
   0.66104851  0.82782274  0.47012477
   0.93576356  0.92936788  0.86073740
   0.95308586  0.90226844  0.65841767
   0.72914368  0.92607436  0.75894907
   0.82018787  0.67655287  0.96511039
   0.56163420  0.60843251  0.91520542
   0.70184120  0.82640777  0.59382905
   0.73676164  0.87128295  0.43676172
   0.92053025  0.16832162  0.09735024
   0.82333430  0.42426258  0.28853458
   0.37973917  0.02915625  0.65392522
   0.26290578  0.66152894  0.79910267
   0.02255826  1.02900045  0.28724124
   0.20029080  0.97697301 -0.03970794
   0.67619314  0.30030749  0.84980064
   0.89060978  0.35666968  0.57037818
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987728   -0.298603    0.015664
    -0.000000    9.968629    0.013717
    -0.000000   -0.000000   13.792865
   Si   O    H 
    32    64    10
Direct configuration=   160
   0.18740163  0.14492317  0.01432985
   0.40561804  0.08828669  0.37785625
   0.16214413  0.40300407  0.13152928
   0.41212141  0.33800995  0.25289314
   0.16509772  0.13936382  0.49546902
   0.42044584  0.10679760  0.87912191
   0.11374593  0.38668113  0.60940256
   0.35484871  0.35189301  0.75435519
   0.15384714  0.66075015  0.01043592
   0.39183095  0.58466719  0.38003635
   0.08853975  0.91560487  0.14508279
   0.34183963  0.82877565  0.25754254
   0.13946177  0.63824876  0.49403621
   0.40472284  0.60353211  0.89100751
   0.10299783  0.89876400  0.61830140
   0.36111298  0.91401998  0.71343476
   0.65055940  0.14662145  1.01042108
   0.90032485  0.10154029  0.37364468
   0.65536122  0.40403653  0.12036105
   0.91046938  0.27359891  0.17718828
   0.65407590  0.16390601  0.51282656
   0.91315545  0.08555809  0.89745823
   0.60542333  0.43294068  0.62677683
   0.80336025  0.34085125  0.79304371
   0.65797724  0.65424903  0.00409131
   0.88777151  0.59176096  0.38072612
   0.57639373  0.90622154  0.13007223
   0.82767512  0.85665565  0.25502614
   0.65390192  0.66883712  0.49163282
   0.90346469  0.61843261  0.87692388
   0.63831890  0.91768178  0.66094893
   0.87826491  0.87165476  0.76266335
   0.16060785  0.05011620  0.11864123
   0.36708415  0.18212287  0.28894902
   0.18513767  0.29168295  0.04166304
   0.40150899  0.42726187  0.34964866
   0.55623770  0.33737489  0.19924483
   0.30613198  0.40754726  0.18536806
   0.30601719  0.09369581  0.47060878
   0.04721771  0.09194505  0.42181663
   0.14153667  0.04831640  0.59319603
   0.36125756  0.21122865  0.80519663
   0.17144936  0.30421444  0.51845471
   0.35546076  0.46085548  0.84296412
   0.45675094  0.37263632  0.66141299
   0.20393359  0.36664281  0.70344690
   0.33982653  0.12766629 -0.01657652
   0.05369141  0.13772113  0.95236795
   0.12014083  0.54980570  0.09414116
   0.35164841  0.67050150  0.28507685
   0.11350394  0.80518717  0.05720138
   0.38847810  0.92972968  0.34486194
   0.42858714  0.86653461  0.15938450
   0.17521466  0.85086777  0.23468502
   0.29692009  0.61107087  0.47519125
   0.04203687  0.60251435  0.40656084
   0.07973803  0.54430390  0.58364398
   0.35339611  0.70233829  0.80200324
   0.11938773  0.79963906  0.52776964
   0.38752217  0.95383357  0.83735616
   0.49573059  0.83395593  0.67554054
   0.20842554  0.83711865  0.69704818
   0.30499647  0.63225491 -0.02043028
   0.06723177  0.63475658  0.91118443
   0.60618615  0.06480044  0.10544642
   0.87578998  0.20578763  0.28380442
   0.66690702  0.30830046  0.02450883
   0.84271901  0.43664254  0.36081767
   0.04851166  0.34642554  0.20165517
   0.80046359  0.38957261  0.17717870
   0.81194123  0.16000081  0.47334037
   0.55426249  0.11753786  0.42314616
   0.60967823  0.08071130  0.61844338
   0.88939515  0.17383279  0.79776665
   0.64606162  0.32792474  0.53824632
   0.87980160  0.45335182  0.86300011
   0.95559088  0.32706641  0.62473280
   0.73721726  0.43350044  0.70285182
   0.80493253  0.09691197  0.97753787
   0.57258350  0.13488958  0.91320403
   0.64195618  0.56620903  0.09983940
   0.84370761  0.69590903  0.29359224
   0.60224777  0.79715606  0.04588965
   0.84214417  0.94965272  0.35464962
   0.92862022  0.92579951  0.17114514
   0.67436831  0.88298344  0.22307843
   0.80183043  0.62316242  0.47458573
   0.53995642  0.62941703  0.41859110
   0.59686401  0.57807715  0.58340922
   0.88507870  0.71340527  0.77551223
   0.66119428  0.82818502  0.46933662
   0.93836460  0.92948195  0.86040519
   0.95261451  0.90185082  0.65888801
   0.72886099  0.92608920  0.75844490
   0.82214359  0.67874210  0.96539664
   0.56304838  0.60897648  0.91570957
   0.69661896  0.83956602  0.59952373
   0.73038544  0.87288719  0.43333704
   0.92673765  0.17066972  0.09645833
   0.82416312  0.42809426  0.28752447
   0.38126769  0.02930535  0.65613956
   0.26238267  0.66605122  0.79923890
   0.01682309  1.02138502  0.29013101
   0.20003319  0.96887266 -0.04484581
   0.68099712  0.30394968  0.84829070
   0.88298522  0.35440836  0.57241676
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988480   -0.296080    0.017141
    -0.000000    9.967533    0.017158
    -0.000000   -0.000000   13.794251
   Si   O    H 
    32    64    10
Direct configuration=   161
   0.18649638  0.14404377  0.01381238
   0.40615493  0.08691717  0.37793834
   0.16208910  0.40369833  0.13089804
   0.41220303  0.33779724  0.25238467
   0.16565016  0.14030325  0.49591939
   0.41997982  0.10668559  0.88005690
   0.11349213  0.38633696  0.60967354
   0.35564547  0.35259251  0.75313494
   0.15421209  0.66121894  0.01059382
   0.39152635  0.58533031  0.38073631
   0.09100172  0.91383433  0.14600886
   0.33992702  0.82917430  0.25881867
   0.13828828  0.63813371  0.49321836
   0.40484561  0.60321380  0.89114823
   0.10279177  0.89900955  0.61885024
   0.36223510  0.91477436  0.71439644
   0.65176724  0.14674658  1.01095301
   0.89972505  0.10035936  0.37354746
   0.65405367  0.40289465  0.12102658
   0.91087205  0.27435509  0.17713236
   0.65457096  0.16498640  0.51263150
   0.91280962  0.08479903  0.89827268
   0.60696973  0.43195546  0.62723320
   0.80248440  0.34137193  0.79331623
   0.65846574  0.65325898  0.00526722
   0.88594916  0.59178375  0.38078081
   0.57715406  0.90582530  0.13019568
   0.82762857  0.85663758  0.25421196
   0.65440472  0.66889047  0.49168209
   0.90382889  0.61771191  0.87713427
   0.63801935  0.91749932  0.66103255
   0.87839677  0.87085741  0.76315633
   0.15879666  0.05163641  0.11904597
   0.36420063  0.18285710  0.28887318
   0.18638385  0.29307343  0.04272060
   0.40022028  0.42908011  0.35109384
   0.55678383  0.33609191  0.19965266
   0.30666581  0.40879009  0.18580123
   0.30547655  0.09243803  0.47139758
   0.04799698  0.09488631  0.42265581
   0.14087391  0.04889219  0.59383204
   0.35973062  0.20993548  0.80644474
   0.17261571  0.30384759  0.51880714
   0.35482006  0.46147827  0.84174874
   0.45679276  0.37328503  0.66148978
   0.20566870  0.36819375  0.70187663
   0.33999007  0.12890604 -0.01631122
   0.05179891  0.13762056  0.95206643
   0.11926464  0.54758948  0.09536067
   0.35096343  0.66994859  0.28485731
   0.11354175  0.80740929  0.05631706
   0.38906409  0.93042551  0.34543172
   0.42862157  0.86624377  0.15882704
   0.17439235  0.85024855  0.23534112
   0.29424959  0.61209839  0.47590723
   0.04371999  0.60503109  0.40517705
   0.07932766  0.54633824  0.58393379
   0.35372425  0.70163082  0.80091146
   0.11945425  0.80051886  0.52860241
   0.38669514  0.95386539  0.83629194
   0.49600458  0.83584334  0.67624279
   0.20798264  0.83842494  0.69722205
   0.30540228  0.63261088 -0.01895930
   0.06771797  0.63353877  0.91181671
   0.60667013  0.06337485  0.10517090
   0.87659428  0.20666513  0.28469857
   0.66755199  0.30788500  0.02447306
   0.84181441  0.43590499  0.36032026
   0.04880807  0.34598939  0.20251992
   0.80117695  0.38934566  0.17645872
   0.81310499  0.15977671  0.47269101
   0.55469642  0.11636520  0.42237442
   0.60880231  0.08023828  0.61865617
   0.89153207  0.17578084  0.79760770
   0.64608176  0.32844977  0.53783355
   0.88098825  0.45297136  0.86328088
   0.95423892  0.32573254  0.62492601
   0.73817380  0.43222437  0.70307105
   0.80390224  0.09561353  0.97837731
   0.57184036  0.13612251  0.91242547
   0.64131459  0.56508028  0.10061875
   0.84230639  0.69406145  0.29328080
   0.60302691  0.79546270  0.04657317
   0.84252270  0.95076458  0.35419065
   0.92839029  0.92696679  0.17140975
   0.67399907  0.88327611  0.22297020
   0.80119822  0.62214840  0.47382246
   0.53985709  0.63056711  0.41837948
   0.59560391  0.57826211  0.58380545
   0.88445024  0.71334934  0.77449913
   0.66015857  0.82870825  0.46892383
   0.94149964  0.92946272  0.86018543
   0.95207734  0.90108208  0.65912050
   0.72833073  0.92699943  0.75772432
   0.82382720  0.68030269  0.96622507
   0.56436977  0.60956653  0.91581181
   0.69655676  0.84336469  0.59716591
   0.73092526  0.88250058  0.42493335
   0.93033662  0.17694731  0.09976232
   0.82603332  0.43216112  0.29328442
   0.38225712  0.03667478  0.65489197
   0.25818317  0.66739366  0.79894896
   0.01104074  1.01350631  0.29347231
   0.20165367  0.96371756 -0.04768985
   0.68572915  0.30321907  0.84468514
   0.88316473  0.34958094  0.57991661
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989247   -0.293541    0.018551
    -0.000000    9.966303    0.019850
    -0.000000   -0.000000   13.795353
   Si   O    H 
    32    64    10
Direct configuration=   162
   0.18537082  0.14203790  0.01332181
   0.40635998  0.08633134  0.37838139
   0.16243203  0.40399257  0.12988076
   0.41147527  0.33711084  0.25263632
   0.16559520  0.14076460  0.49657129
   0.41926081  0.10654539  0.88111832
   0.11301115  0.38650046  0.60946167
   0.35636435  0.35279747  0.75170102
   0.15462103  0.66135521  0.01078542
   0.39212339  0.58619114  0.38067738
   0.09387898  0.91259608  0.14673973
   0.33886807  0.82966361  0.25996028
   0.13715691  0.63859517  0.49205818
   0.40461276  0.60293468  0.89093652
   0.10202404  0.89870977  0.61899167
   0.36331243  0.91543508  0.71516908
   0.65340989  0.14637764  1.01127868
   0.89991218  0.09928092  0.37342846
   0.65297910  0.40148794  0.12214942
   0.91035445  0.27517391  0.17744556
   0.65515700  0.16646324  0.51252262
   0.91322824  0.08412375  0.89876979
   0.60841343  0.43120698  0.62769697
   0.80168682  0.34152852  0.79429139
   0.65939236  0.65247943  0.00648829
   0.88471674  0.59165736  0.38068823
   0.57757930  0.90528556  0.13045167
   0.82691523  0.85592555  0.25301931
   0.65454228  0.66965275  0.49210790
   0.90458543  0.61677753  0.87701847
   0.63737791  0.91813741  0.66115925
   0.87895343  0.87009897  0.76296304
   0.15770600  0.05323742  0.11901851
   0.36196167  0.18428466  0.28873252
   0.18775972  0.29545900  0.04450137
   0.39881861  0.43108904  0.35227203
   0.55717193  0.33455687  0.20015692
   0.30717684  0.41005490  0.18592992
   0.30663288  0.09147045  0.47200066
   0.04980921  0.09726862  0.42336968
   0.14036051  0.04968770  0.59414700
   0.35810089  0.20949854  0.80636067
   0.17395469  0.30427443  0.51884279
   0.35491392  0.46241984  0.84054898
   0.45666770  0.37352337  0.66192962
   0.20818380  0.36879817  0.70053101
   0.33982341  0.12976286 -0.01647015
   0.05042127  0.13688759  0.95222217
   0.11873740  0.54565839  0.09655360
   0.35049259  0.66927026  0.28441132
   0.11275879  0.80884693  0.05489533
   0.38950038  0.92957512  0.34621285
   0.42825243  0.86621693  0.15904874
   0.17325544  0.84911445  0.23555034
   0.29284820  0.61353945  0.47634433
   0.04492251  0.60680182  0.40322450
   0.07949972  0.54841504  0.58358048
   0.35439077  0.70080056  0.79982769
   0.11925138  0.79993885  0.52904089
   0.38577823  0.95354207  0.83519554
   0.49620860  0.83813997  0.67730494
   0.20816732  0.83930834  0.69774857
   0.30561114  0.63252108 -0.01737627
   0.06783759  0.63271716  0.91226076
   0.60716294  0.06151276  0.10469753
   0.87761983  0.20704776  0.28524165
   0.66814247  0.30732994  0.02473436
   0.84126214  0.43490072  0.36021337
   0.04960472  0.34608428  0.20282508
   0.80087599  0.38902960  0.17523380
   0.81362795  0.15918938  0.47153176
   0.55550503  0.11536247  0.42180235
   0.60800981  0.07967334  0.61889541
   0.89359617  0.17773357  0.79724282
   0.64567678  0.32851514  0.53754481
   0.88178757  0.45227848  0.86314681
   0.95374992  0.32385297  0.62562419
   0.73915351  0.43141991  0.70293924
   0.80239729  0.09345903  0.97892737
   0.57078994  0.13680965  0.91115580
   0.64095022  0.56298920  0.10167554
   0.84045709  0.69276697  0.29250357
   0.60412791  0.79460307  0.04676372
   0.84275999  0.95182052  0.35400999
   0.92882241  0.92803212  0.17219873
   0.67390897  0.88362511  0.22254835
   0.80077172  0.62110582  0.47345347
   0.53941900  0.63107787  0.41754576
   0.59446311  0.57919646  0.58420627
   0.88414673  0.71262822  0.77382754
   0.65928843  0.82892011  0.46850626
   0.94450635  0.92972844  0.86036885
   0.95125457  0.89960842  0.65885541
   0.72794330  0.92866661  0.75715416
   0.82486873  0.68160664  0.96729244
   0.56601263  0.60966408  0.91592397
   0.70650352  0.84138116  0.58722717
   0.72918161  0.88859480  0.42003180
   0.93236526  0.18363857  0.10509276
   0.82777475  0.43201825  0.28874131
   0.38167683  0.04423447  0.65468091
   0.25338264  0.67196608  0.79742462
   0.01176230  1.00675480  0.29059221
   0.20490217  0.96284666 -0.04867581
   0.68080154  0.29905206  0.84256805
   0.88379435  0.34157103  0.58759666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990069   -0.291362    0.019736
    -0.000000    9.964769    0.022395
    -0.000000   -0.000000   13.796469
   Si   O    H 
    32    64    10
Direct configuration=   163
   0.18486333  0.13981682  0.01331423
   0.40681559  0.08671661  0.37869988
   0.16308984  0.40435143  0.12857869
   0.41075820  0.33705601  0.25316938
   0.16515267  0.14116662  0.49772096
   0.41864610  0.10600038  0.88234661
   0.11229938  0.38600122  0.60886855
   0.35643669  0.35366487  0.75058936
   0.15465549  0.66153452  0.01111530
   0.39279805  0.58742611  0.38060294
   0.09528033  0.91176824  0.14714211
   0.33801264  0.82990541  0.26066581
   0.13647999  0.63880740  0.49087433
   0.40431973  0.60265256  0.89044237
   0.10150791  0.89890067  0.61880253
   0.36417964  0.91598974  0.71605167
   0.65489658  0.14594858  1.01132102
   0.89964999  0.09881379  0.37344363
   0.65236977  0.40067254  0.12313741
   0.90999068  0.27625819  0.17817468
   0.65572545  0.16778260  0.51222450
   0.91437862  0.08396259  0.89887129
   0.61022876  0.43026501  0.62836789
   0.80115091  0.34147039  0.79505551
   0.66075381  0.65315721  0.00788523
   0.88383883  0.59115788  0.38011165
   0.57848014  0.90442568  0.13078101
   0.82609758  0.85517975  0.25231422
   0.65438745  0.67072714  0.49269888
   0.90613273  0.61673424  0.87684759
   0.63694216  0.91938358  0.66140603
   0.87913741  0.86936507  0.76301233
   0.15635240  0.05443511  0.11814323
   0.36015301  0.18525089  0.28893503
   0.18843980  0.29852318  0.04688914
   0.39684712  0.43215477  0.35366027
   0.55629147  0.33314365  0.20118510
   0.30787046  0.41147153  0.18562190
   0.30792623  0.09046167  0.47249195
   0.05086984  0.09950517  0.42375300
   0.13979744  0.05144406  0.59447669
   0.35678317  0.20902226  0.80590181
   0.17558357  0.30471220  0.51911224
   0.35448402  0.46347561  0.83918248
   0.45684785  0.37415034  0.66258276
   0.21032611  0.36935840  0.69934786
   0.33880312  0.13031212 -0.01638787
   0.04785369  0.13644683  0.95209850
   0.11777238  0.54441126  0.09738994
   0.35004808  0.66938008  0.28412072
   0.11216081  0.81028028  0.05370108
   0.38998246  0.92812645  0.34725221
   0.42673340  0.86657278  0.15908292
   0.17294626  0.84775978  0.23534726
   0.29143799  0.61488792  0.47717788
   0.04578684  0.60783446  0.40078463
   0.08018485  0.54932258  0.58343912
   0.35505095  0.69985932  0.79902830
   0.11912639  0.79949631  0.52961068
   0.38398242  0.95325422  0.83449239
   0.49654607  0.84024705  0.67798363
   0.20880321  0.84045772  0.69783367
   0.30569416  0.63241063 -0.01631180
   0.06719421  0.63162735  0.91292022
   0.60677823  0.05947156  0.10450973
   0.87843159  0.20633166  0.28542446
   0.66818154  0.30757155  0.02508074
   0.84113045  0.43388967  0.36049910
   0.05051965  0.34758587  0.20350176
   0.79953561  0.38930211  0.17302354
   0.81423331  0.15882132  0.47044124
   0.55646058  0.11453983  0.42150940
   0.60736729  0.08009777  0.61878566
   0.89474553  0.18028231  0.79710426
   0.64440521  0.32834129  0.53722274
   0.88270851  0.45200436  0.86330822
   0.95512083  0.32147621  0.62639153
   0.74000369  0.43052667  0.70259649
   0.80030595  0.09196652  0.98026239
   0.57055790  0.13729541  0.90985401
   0.64123862  0.56042847  0.10252922
   0.83855374  0.69266230  0.29149109
   0.60547641  0.79386849  0.04612485
   0.84275080  0.95183484  0.35380645
   0.92898818  0.92836528  0.17199307
   0.67370909  0.88457578  0.22208065
   0.79994838  0.62054655  0.47346271
   0.53924505  0.63120740  0.41659456
   0.59424633  0.57960978  0.58497169
   0.88506752  0.71079982  0.77314095
   0.65879270  0.82923600  0.46787815
   0.94598388  0.93108885  0.86118342
   0.95067345  0.89852321  0.65875245
   0.72739066  0.92968525  0.75686952
   0.82487153  0.68238225  0.96820164
   0.56725126  0.61011998  0.91608578
   0.71391962  0.84157982  0.58176308
   0.72437049  0.89055658  0.42015472
   0.93116717  0.18594693  0.10767364
   0.83023819  0.43164166  0.28716271
   0.37555499  0.04824497  0.65829090
   0.25890007  0.67681517  0.79723514
   0.01401665  1.00331326  0.28842270
   0.20928794  0.96414023 -0.04985871
   0.67061073  0.29081172  0.84338064
   0.87125748  0.33997683  0.58512346
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990929   -0.289016    0.020388
    -0.000000    9.963279    0.025708
    -0.000000   -0.000000   13.797367
   Si   O    H 
    32    64    10
Direct configuration=   164
   0.18402670  0.13794281  0.01328756
   0.40759705  0.08678115  0.37972064
   0.16345037  0.40401456  0.12754957
   0.40981392  0.33716207  0.25405654
   0.16421702  0.14128806  0.49905055
   0.41806741  0.10502057  0.88395960
   0.11100630  0.38568137  0.60819218
   0.35590763  0.35400577  0.74936927
   0.15406961  0.66194206  0.01117238
   0.39373397  0.58847481  0.38079175
   0.09611927  0.91099067  0.14754780
   0.33753244  0.82988557  0.26073219
   0.13559688  0.63985111  0.49039933
   0.40375040  0.60233843  0.89001240
   0.10119105  0.89945165  0.61842516
   0.36472408  0.91703238  0.71649587
   0.65578120  0.14585042  1.01136107
   0.89954971  0.09885937  0.37344499
   0.65176206  0.39947421  0.12416859
   0.91007299  0.27668620  0.17891654
   0.65670166  0.16865055  0.51227478
   0.91526987  0.08425623  0.89871115
   0.61227241  0.43024644  0.62888673
   0.80078969  0.34102895  0.79587757
   0.66234264  0.65440665  0.00895988
   0.88348916  0.59060293  0.37948164
   0.57904386  0.90306648  0.13122314
   0.82549831  0.85395347  0.25154259
   0.65411806  0.67224814  0.49330119
   0.90758452  0.61640848  0.87618748
   0.63709306  0.92048666  0.66157508
   0.87918835  0.86822155  0.76277167
   0.15497974  0.05565465  0.11734749
   0.35860191  0.18567774  0.28968007
   0.18849969  0.30088861  0.04837095
   0.39471363  0.43279116  0.35481318
   0.55449636  0.33102456  0.20247270
   0.30811410  0.41321694  0.18534432
   0.31081435  0.09073704  0.47268262
   0.05147885  0.10137139  0.42337832
   0.13912614  0.05297295  0.59461817
   0.35622139  0.20903355  0.80563347
   0.17700336  0.30540177  0.51916661
   0.35463595  0.46384643  0.83820414
   0.45795867  0.37501813  0.66313668
   0.21211362  0.37018111  0.69839097
   0.33865060  0.13026163 -0.01641687
   0.04492900  0.13534890  0.95187280
   0.11570874  0.54490275  0.09802470
   0.34992542  0.67014800  0.28382533
   0.11138546  0.81100519  0.05244696
   0.38993910  0.92674687  0.34783063
   0.42510912  0.86743407  0.15906220
   0.17383673  0.84569445  0.23562423
   0.29070111  0.61648335  0.47685459
   0.04675315  0.60865097  0.39851991
   0.08118582  0.55046006  0.58352604
   0.35628753  0.69946317  0.79817721
   0.11875271  0.79900934  0.52970496
   0.38253966  0.95249684  0.83424696
   0.49731040  0.84278979  0.67902473
   0.20915905  0.84215799  0.69761859
   0.30689312  0.63240428 -0.01589840
   0.06718472  0.63002739  0.91351822
   0.60695476  0.05807965  0.10477077
   0.87881272  0.20510134  0.28573017
   0.66813302  0.30779253  0.02565440
   0.84165719  0.43339497  0.36061166
   0.05098703  0.34914410  0.20364847
   0.79813767  0.39059629  0.17125686
   0.81516636  0.15801633  0.46906775
   0.55760698  0.11361605  0.42161926
   0.60714656  0.08061345  0.61814824
   0.89578697  0.18291392  0.79737090
   0.64290855  0.32772382  0.53739720
   0.88360171  0.45154301  0.86310829
   0.95679429  0.31928538  0.62670820
   0.73991191  0.42994437  0.70233396
   0.79800014  0.09048636  0.98127265
   0.57121152  0.13769316  0.90882162
   0.64174434  0.55829371  0.10253510
   0.83736021  0.69331714  0.29058133
   0.60672755  0.79343837  0.04575704
   0.84218374  0.95102286  0.35377392
   0.92924195  0.92826141  0.17245960
   0.67326607  0.88514835  0.22185060
   0.79967176  0.62026878  0.47420186
   0.53910043  0.63135839  0.41544842
   0.59472391  0.58003796  0.58618206
   0.88645156  0.70868384  0.77307979
   0.65833073  0.83041289  0.46719824
   0.94709727  0.93188664  0.86230083
   0.95012993  0.89744490  0.65906425
   0.72771152  0.93054267  0.75728999
   0.82453501  0.68299367  0.96945168
   0.56830356  0.60899736  0.91627926
   0.71901319  0.84275753  0.58184466
   0.71249849  0.88797472  0.42666234
   0.93030249  0.17946739  0.10481923
   0.82857285  0.43109682  0.29059419
   0.36716739  0.05136665  0.66329337
   0.26592382  0.68518896  0.79502909
   0.01749634  1.00468628  0.28598189
   0.20846603  0.96713087 -0.04969595
   0.66915649  0.28734959  0.84374975
   0.86622594  0.33699350  0.58326097
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.991770   -0.286939    0.021244
    -0.000000    9.961484    0.029344
    -0.000000   -0.000000   13.797790
   Si   O    H 
    32    64    10
Direct configuration=   165
   0.18263246  0.13648564  0.01337646
   0.40843395  0.08711640  0.38027170
   0.16408606  0.40362118  0.12693378
   0.40939235  0.33765981  0.25537694
   0.16335027  0.14135415  0.50030018
   0.41729541  0.10405070  0.88508031
   0.10927021  0.38520598  0.60756856
   0.35564227  0.35384667  0.74863634
   0.15295794  0.66206503  0.01145281
   0.39406928  0.58944833  0.38098341
   0.09703448  0.91044022  0.14775716
   0.33726059  0.82995917  0.26072675
   0.13476584  0.64101043  0.49047743
   0.40360868  0.60215361  0.88964080
   0.10114890  0.89934893  0.61850171
   0.36484344  0.91811322  0.71663743
   0.65603013  0.14594904  1.01101893
   0.89964664  0.09955276  0.37347836
   0.65120229  0.39846685  0.12488464
   0.91016940  0.27670358  0.17961235
   0.65753494  0.16936805  0.51231029
   0.91573236  0.08467274  0.89816115
   0.61380580  0.43029739  0.62924490
   0.80024099  0.34016317  0.79719792
   0.66377221  0.65541714  0.00971192
   0.88302415  0.59048164  0.37818527
   0.57991332  0.90124955  0.13131678
   0.82486638  0.85241943  0.25170387
   0.65342289  0.67316099  0.49341625
   0.90891080  0.61634786  0.87547732
   0.63780735  0.92211583  0.66097270
   0.88018004  0.86710560  0.76298974
   0.15346383  0.05686755  0.11655391
   0.35774581  0.18616696  0.29023816
   0.18884517  0.30197415  0.04922900
   0.39372276  0.43333484  0.35593676
   0.55233260  0.32872776  0.20411849
   0.30861132  0.41525235  0.18529731
   0.31434508  0.09105316  0.47238202
   0.05079294  0.10387251  0.42276107
   0.13838619  0.05514307  0.59461416
   0.35596667  0.20906956  0.80485614
   0.17943285  0.30526716  0.51947884
   0.35438116  0.46364774  0.83669800
   0.45937691  0.37535488  0.66351257
   0.21354767  0.37146586  0.69720907
   0.33834641  0.13034624 -0.01636542
   0.04282795  0.13537429  0.95226417
   0.11410652  0.54605494  0.09818038
   0.34999973  0.67092039  0.28417898
   0.11083187  0.81148449  0.05150757
   0.38996875  0.92582495  0.34836371
   0.42288662  0.86813413  0.15947212
   0.17560810  0.84422523  0.23605424
   0.29082465  0.61777147  0.47568550
   0.04750225  0.60956753  0.39632883
   0.08274110  0.55070306  0.58346099
   0.35774061  0.69904459  0.79727470
   0.11850833  0.79890602  0.52932399
   0.38167333  0.95235462  0.83447758
   0.49764063  0.84401731  0.68037366
   0.20957973  0.84379130  0.69761015
   0.30808976  0.63234933 -0.01525398
   0.06634451  0.62833209  0.91378316
   0.60735361  0.05742399  0.10470557
   0.87840608  0.20504656  0.28649858
   0.66764908  0.30859427  0.02611276
   0.84274698  0.43202940  0.36080065
   0.05093545  0.35077528  0.20429413
   0.79688432  0.39173744  0.16935522
   0.81543749  0.15730559  0.46794248
   0.55901201  0.11386427  0.42208861
   0.60688525  0.08071166  0.61778849
   0.89640622  0.18565407  0.79830288
   0.64129997  0.32766689  0.53673417
   0.88480690  0.45179908  0.86220021
   0.95766290  0.31777628  0.62631619
   0.74026033  0.42920697  0.70148548
   0.79513951  0.08862172  0.98237920
   0.57107064  0.13794220  0.90769678
   0.64218926  0.55645393  0.10266257
   0.83737390  0.69384827  0.28934728
   0.60810682  0.79378639  0.04560206
   0.84136486  0.95007768  0.35371491
   0.92997828  0.92777390  0.17231192
   0.67284777  0.88539308  0.22131381
   0.79979644  0.61994816  0.47503047
   0.53912405  0.63083109  0.41478579
   0.59532755  0.58096423  0.58700458
   0.88757111  0.70615893  0.77355937
   0.65712674  0.83082780  0.46595402
   0.94775543  0.93349065  0.86265221
   0.94985943  0.89633032  0.65964129
   0.72775135  0.93088256  0.75777797
   0.82433470  0.68330484  0.97023460
   0.56942083  0.60828913  0.91694581
   0.72128600  0.85018076  0.59376018
   0.70663592  0.89158997  0.42936401
   0.92928409  0.17304504  0.10148143
   0.82588890  0.43018610  0.29053407
   0.35842573  0.05288074  0.66924136
   0.25617780  0.68877337  0.79286775
   0.01860115  1.00703441  0.28476380
   0.20495924  0.97151657 -0.04874826
   0.67433742  0.28495192  0.84035296
   0.87220698  0.33122465  0.58700514
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992160   -0.285116    0.022165
    -0.000000    9.959783    0.033478
    -0.000000   -0.000000   13.797950
   Si   O    H 
    32    64    10
Direct configuration=   166
   0.18118002  0.13605296  0.01319799
   0.40917731  0.08744820  0.38074940
   0.16462366  0.40320543  0.12646252
   0.40874752  0.33838992  0.25691859
   0.16277953  0.14143901  0.50152575
   0.41676935  0.10305633  0.88583660
   0.10838802  0.38484712  0.60727857
   0.35554518  0.35440855  0.74812048
   0.15143355  0.66176821  0.01157782
   0.39393856  0.59003499  0.38136709
   0.09717125  0.90976849  0.14791945
   0.33688279  0.83019635  0.26096757
   0.13355401  0.64259972  0.49058013
   0.40377327  0.60247931  0.88938444
   0.10165364  0.89967449  0.61908190
   0.36482550  0.91983938  0.71707353
   0.65653167  0.14612201  1.01037325
   0.89949742  0.10036920  0.37368619
   0.65047828  0.39755517  0.12542503
   0.91070894  0.27613270  0.18025489
   0.65799103  0.16961062  0.51222070
   0.91587809  0.08530742  0.89745447
   0.61504141  0.43017148  0.62910038
   0.79956182  0.33950487  0.79854880
   0.66521756  0.65604858  0.01005988
   0.88306782  0.59046686  0.37655621
   0.57988087  0.89903330  0.13145127
   0.82491817  0.85067034  0.25208833
   0.65305353  0.67357839  0.49356726
   0.91009492  0.61634295  0.87486064
   0.63898829  0.92356215  0.66039378
   0.88124477  0.86640045  0.76328327
   0.15156082  0.05710689  0.11486849
   0.35713502  0.18647030  0.29114726
   0.18835585  0.30162302  0.04939590
   0.39295547  0.43351305  0.35734282
   0.55052891  0.32637087  0.20588826
   0.30756617  0.41696288  0.18509085
   0.31773328  0.09117463  0.47208475
   0.05054334  0.10669320  0.42188284
   0.13847859  0.05767621  0.59502191
   0.35670674  0.20881275  0.80404896
   0.18094895  0.30545106  0.51958089
   0.35411362  0.46353413  0.83525362
   0.46125777  0.37617579  0.66361306
   0.21438022  0.37318948  0.69644599
   0.33816942  0.13063561 -0.01609892
   0.04136820  0.13543955  0.95273641
   0.11342994  0.54879771  0.09798645
   0.34986834  0.67204756  0.28460193
   0.11069962  0.81142745  0.05026767
   0.39020253  0.92579649  0.34888984
   0.42087385  0.86847590  0.15994532
   0.17685450  0.84284539  0.23678422
   0.29155106  0.61956473  0.47384270
   0.04891285  0.60966519  0.39451653
   0.08491016  0.55035934  0.58354542
   0.35849443  0.69907658  0.79692753
   0.11751951  0.79896242  0.52868909
   0.38090877  0.95397877  0.83464196
   0.49848679  0.84510309  0.68132449
   0.20868298  0.84497172  0.69773098
   0.30925782  0.63245542 -0.01439181
   0.06550093  0.62623935  0.91391567
   0.60649235  0.05709203  0.10397360
   0.87762226  0.20536488  0.28733697
   0.66718820  0.30970690  0.02610187
   0.84372771  0.43105395  0.36081208
   0.05057880  0.35220712  0.20491420
   0.79665918  0.39302639  0.16778477
   0.81541326  0.15690046  0.46740900
   0.56054421  0.11365440  0.42298146
   0.60674946  0.08087986  0.61709004
   0.89758326  0.18754920  0.79919492
   0.64030210  0.32813501  0.53638044
   0.88553093  0.45253557  0.86126225
   0.95811066  0.31602248  0.62618287
   0.74052120  0.42795736  0.70044661
   0.79316992  0.08587479  0.98297439
   0.57078517  0.13798116  0.90711824
   0.64120021  0.55500183  0.10294055
   0.83741260  0.69474834  0.28847989
   0.60960511  0.79421663  0.04551061
   0.84066514  0.94812983  0.35369695
   0.93050375  0.92671615  0.17195480
   0.67238897  0.88505836  0.22139157
   0.80062804  0.61969973  0.47602408
   0.53975660  0.62975510  0.41492330
   0.59646810  0.58183658  0.58832273
   0.88800773  0.70488978  0.77431878
   0.65513931  0.83018344  0.46506184
   0.94748725  0.93427493  0.86148491
   0.94982381  0.89493768  0.65989721
   0.72836521  0.93083294  0.75897704
   0.82453748  0.68333200  0.97161855
   0.57003842  0.60712807  0.91762857
   0.72343963  0.85698995  0.60471576
   0.71410284  0.90366858  0.42583229
   0.92829433  0.17203814  0.10430995
   0.82278478  0.42450841  0.29142228
   0.35215519  0.05002710  0.67444249
   0.25094401  0.69366548  0.79091210
   0.02235129  1.01054030  0.28729824
   0.20154413  0.97983555 -0.04798279
   0.67923811  0.28220720  0.83740954
   0.88085802  0.32749233  0.59100716
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992849   -0.283346    0.023009
    -0.000000    9.958051    0.037369
    -0.000000   -0.000000   13.798356
   Si   O    H 
    32    64    10
Direct configuration=   167
   0.17976210  0.13608499  0.01353814
   0.41028941  0.08708585  0.38089044
   0.16537424  0.40318911  0.12647797
   0.40828732  0.33910129  0.25859119
   0.16265707  0.14152995  0.50313100
   0.41577073  0.10137283  0.88601147
   0.10764172  0.38493422  0.60702991
   0.35478289  0.35512301  0.74798201
   0.15003306  0.66120323  0.01188668
   0.39339122  0.59033682  0.38166013
   0.09700239  0.90887071  0.14749745
   0.33663248  0.83083499  0.26099965
   0.13252944  0.64352927  0.49129381
   0.40355594  0.60248386  0.88928573
   0.10239024  0.89972045  0.61969185
   0.36396489  0.92184859  0.71779595
   0.65739408  0.14722886  1.00987957
   0.89914452  0.10146647  0.37356291
   0.64926737  0.39659475  0.12634813
   0.91124744  0.27596122  0.18143556
   0.65902060  0.16993846  0.51188829
   0.91579282  0.08591784  0.89666704
   0.61587852  0.42961962  0.62874307
   0.79926691  0.33854359  0.79944839
   0.66645062  0.65640834  0.01054912
   0.88308992  0.58972507  0.37501688
   0.57957330  0.89676070  0.13124232
   0.82512404  0.84903125  0.25240965
   0.65294936  0.67416712  0.49383075
   0.91139998  0.61684097  0.87448803
   0.63922822  0.92594490  0.65949634
   0.88241015  0.86591687  0.76330414
   0.14927418  0.05774031  0.11347773
   0.35721924  0.18596154  0.29204890
   0.18732742  0.29981666  0.04857251
   0.39265163  0.43329927  0.35818176
   0.55045347  0.32495112  0.20802571
   0.30640689  0.41831533  0.18506761
   0.32087897  0.09213065  0.47245592
   0.05001306  0.10863774  0.42146455
   0.13882653  0.05982648  0.59607749
   0.35792801  0.20869281  0.80315699
   0.18186604  0.30549420  0.51974770
   0.35375660  0.46440624  0.83386434
   0.46356691  0.37704154  0.66360252
   0.21447344  0.37476998  0.69508627
   0.33865340  0.13108856 -0.01553979
   0.04053038  0.13613204  0.95351280
   0.11281724  0.55161799  0.09769866
   0.34942376  0.67276545  0.28491768
   0.11160827  0.81124676  0.04904843
   0.39093294  0.92575020  0.34937617
   0.41855013  0.86836957  0.16041816
   0.17858367  0.84172318  0.23708082
   0.29230712  0.62185456  0.47246931
   0.05024043  0.60989499  0.39291597
   0.08730195  0.55002210  0.58338122
   0.35753427  0.69987439  0.79754563
   0.11549603  0.79865451  0.52730509
   0.38063968  0.95668836  0.83529522
   0.49910335  0.84624289  0.68242502
   0.20730454  0.84562350  0.69814923
   0.31103584  0.63263891 -0.01347354
   0.06446009  0.62455732  0.91377213
   0.60518797  0.05677824  0.10327607
   0.87641118  0.20564925  0.28833614
   0.66686095  0.31060678  0.02610481
   0.84478981  0.43056072  0.36080541
   0.04995196  0.35391235  0.20584195
   0.79764978  0.39402191  0.16655004
   0.81521716  0.15666419  0.46660287
   0.56224433  0.11474687  0.42411141
   0.60732924  0.08022570  0.61590101
   0.89809162  0.18854606  0.80006800
   0.63961631  0.32781864  0.53566805
   0.88637619  0.45389253  0.86039512
   0.95971763  0.31473617  0.62648826
   0.74104813  0.42728041  0.70023536
   0.79205183  0.08339134  0.98324200
   0.56959309  0.13789313  0.90654297
   0.63956414  0.55466218  0.10300256
   0.83746618  0.69567481  0.28796229
   0.61087221  0.79569223  0.04621353
   0.84006021  0.94665323  0.35361826
   0.93178808  0.92425705  0.17150519
   0.67176441  0.88329167  0.22179990
   0.80163144  0.61932663  0.47703238
   0.54129299  0.62899493  0.41504250
   0.59729366  0.58285460  0.58859119
   0.88852039  0.70345502  0.77546255
   0.65328697  0.83061124  0.46408548
   0.94722541  0.93436761  0.86029952
   0.94963374  0.89390713  0.65970942
   0.72884644  0.93045384  0.76012374
   0.82540535  0.68313369  0.97264686
   0.57015813  0.60632521  0.91779112
   0.73315031  0.85339614  0.60672130
   0.71832085  0.90764820  0.42774550
   0.92590605  0.17264956  0.10914404
   0.81990018  0.41629943  0.29391807
   0.34640125  0.04929206  0.67591143
   0.25896761  0.69689319  0.79030014
   0.02406572  1.01576086  0.29145166
   0.19595041  0.98825732 -0.04738150
   0.67796892  0.27775474  0.83678769
   0.88119519  0.32595609  0.58853262
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993544   -0.281115    0.023859
    -0.000000    9.956446    0.041639
    -0.000000   -0.000000   13.798860
   Si   O    H 
    32    64    10
Direct configuration=   168
   0.17871760  0.13583566  0.01407292
   0.41168608  0.08668203  0.38090112
   0.16613011  0.40352198  0.12703384
   0.40722976  0.33989014  0.25968906
   0.16286553  0.14204011  0.50369575
   0.41474788  0.10002422  0.88609298
   0.10650670  0.38507765  0.60662508
   0.35365768  0.35652068  0.74779161
   0.14886983  0.66092621  0.01192511
   0.39277975  0.59055874  0.38189751
   0.09648679  0.90834850  0.14686411
   0.33666718  0.83222908  0.26101771
   0.13146038  0.64410387  0.49207392
   0.40323737  0.60227623  0.88916096
   0.10256142  0.90006247  0.62008641
   0.36374102  0.92368884  0.71863872
   0.65781192  0.14793922  1.00937943
   0.89909184  0.10274043  0.37334340
   0.64824659  0.39572116  0.12736734
   0.91174316  0.27572583  0.18266378
   0.65980731  0.17011116  0.51144567
   0.91530085  0.08686272  0.89551425
   0.61618833  0.42857585  0.62821159
   0.79876321  0.33804310  0.80040352
   0.66762126  0.65684163  0.01142507
   0.88311400  0.58879811  0.37380283
   0.57900930  0.89511572  0.13097010
   0.82523909  0.84752737  0.25241974
   0.65293352  0.67391143  0.49341887
   0.91192984  0.61684345  0.87483525
   0.63951443  0.92839173  0.65834766
   0.88401137  0.86543476  0.76357645
   0.14672160  0.05833028  0.11298643
   0.35743037  0.18563903  0.29287309
   0.18606513  0.29683191  0.04733471
   0.39223772  0.43194260  0.35940872
   0.55061090  0.32418056  0.21055417
   0.30586284  0.41923085  0.18514879
   0.32267629  0.09365281  0.47377770
   0.04898993  0.11006115  0.42098297
   0.13838144  0.06050776  0.59704330
   0.35945167  0.20868109  0.80276972
   0.18232102  0.30544854  0.51950671
   0.35328533  0.46459487  0.83313053
   0.46600835  0.37830405  0.66376074
   0.21405010  0.37577394  0.69357339
   0.33906823  0.13084488 -0.01493249
   0.04026155  0.13753080  0.95403551
   0.11252255  0.55415126  0.09748156
   0.34993586  0.67346649  0.28522776
   0.11213563  0.81086672  0.04782013
   0.39240086  0.92616597  0.34932910
   0.41753350  0.86888689  0.16071001
   0.17947994  0.84116401  0.23807023
   0.29310228  0.62386920  0.47096429
   0.05134620  0.61051075  0.39173544
   0.08965597  0.54956185  0.58353475
   0.35654340  0.70089343  0.79805713
   0.11266022  0.79848117  0.52576859
   0.38107214  0.95947639  0.83624807
   0.49963923  0.84799010  0.68352800
   0.20734433  0.84730477  0.69896842
   0.31275985  0.63292587 -0.01231267
   0.06398538  0.62399794  0.91331119
   0.60382496  0.05675320  0.10231252
   0.87532364  0.20568561  0.28914946
   0.66612168  0.31098276  0.02642894
   0.84597528  0.43088364  0.36110452
   0.04937096  0.35557878  0.20649143
   0.80016258  0.39503479  0.16569922
   0.81418312  0.15692026  0.46609649
   0.56319267  0.11597636  0.42524515
   0.60815693  0.07937231  0.61397569
   0.89823269  0.19012062  0.80140315
   0.63906617  0.32701305  0.53565093
   0.88636749  0.45468754  0.85981549
   0.96175111  0.31384096  0.62688886
   0.74196309  0.42672388  0.70001302
   0.79244772  0.08134274  0.98339775
   0.56913621  0.13763939  0.90600015
   0.63798578  0.55335012  0.10194204
   0.83757131  0.69648648  0.28751762
   0.61178855  0.79807620  0.04659263
   0.83932870  0.94557074  0.35406872
   0.93163309  0.92134502  0.17082531
   0.67170962  0.88265974  0.22233477
   0.80284322  0.61876359  0.47739287
   0.54305063  0.62706337  0.41541430
   0.59727376  0.58413988  0.58850108
   0.88932031  0.70228222  0.77725084
   0.65187151  0.83162106  0.46356741
   0.94724347  0.93430644  0.85884767
   0.94896813  0.89234556  0.65884942
   0.72873292  0.93070560  0.76185535
   0.82675844  0.68320220  0.97368096
   0.57049153  0.60547626  0.91712135
   0.74308966  0.84565197  0.60085391
   0.72231681  0.89836635  0.43176202
   0.92597385  0.17041232  0.11360126
   0.81562645  0.40406838  0.29650584
   0.34060081  0.05180885  0.67491022
   0.26913178  0.70116614  0.78882599
   0.02191895  1.02012362  0.29580754
   0.19065235  0.99657004 -0.04695817
   0.67552518  0.27043776  0.83717359
   0.87738067  0.32494964  0.58290158
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993731   -0.278782    0.024905
    -0.000000    9.954719    0.045936
    -0.000000   -0.000000   13.799870
   Si   O    H 
    32    64    10
Direct configuration=   169
   0.17780588  0.13585317  0.01457821
   0.41271127  0.08627208  0.38064880
   0.16652484  0.40427664  0.12786767
   0.40581373  0.34098808  0.26048174
   0.16325940  0.14256489  0.50372790
   0.41332661  0.09922437  0.88630542
   0.10593742  0.38530511  0.60621315
   0.35280237  0.35797783  0.74770690
   0.14829179  0.66059808  0.01182301
   0.39211684  0.59083159  0.38205991
   0.09620179  0.90771283  0.14642551
   0.33673369  0.83344892  0.26087751
   0.13087502  0.64539504  0.49257166
   0.40284570  0.60234186  0.88932982
   0.10272301  0.90023143  0.62036330
   0.36289747  0.92490013  0.71946327
   0.65735241  0.14886541  1.00870375
   0.89914331  0.10322106  0.37299775
   0.64734112  0.39387523  0.12853185
   0.91181139  0.27488336  0.18421498
   0.66015655  0.16985673  0.51091492
   0.91418247  0.08762880  0.89384251
   0.61591110  0.42742098  0.62698567
   0.79886847  0.33715616  0.80078806
   0.66892742  0.65694246  0.01215808
   0.88314428  0.58769251  0.37259453
   0.57884763  0.89359224  0.13066062
   0.82518185  0.84696605  0.25236925
   0.65394584  0.67314985  0.49285202
   0.91243209  0.61757604  0.87511764
   0.64008150  0.92981741  0.65710778
   0.88493015  0.86502320  0.76424654
   0.14405022  0.05883666  0.11274952
   0.35745989  0.18595520  0.29311283
   0.18443611  0.29492553  0.04599163
   0.39257635  0.43036384  0.36033423
   0.55118787  0.32403286  0.21260608
   0.30610116  0.41995946  0.18488356
   0.32273676  0.09410749  0.47532500
   0.04819768  0.11239654  0.42051671
   0.13781914  0.06114900  0.59853290
   0.36168686  0.20864370  0.80241759
   0.18218502  0.30514221  0.51940066
   0.35376030  0.46512896  0.83285083
   0.46842828  0.37923988  0.66417596
   0.21313856  0.37767266  0.69282764
   0.33919638  0.13030380 -0.01392106
   0.04003601  0.13874331  0.95443489
   0.11219604  0.55626041  0.09767510
   0.34993102  0.67409828  0.28566083
   0.11179559  0.81079113  0.04625969
   0.39419927  0.92707390  0.34925440
   0.41700287  0.86881430  0.16105424
   0.18035808  0.84116920  0.23864672
   0.29239688  0.62636368  0.46920799
   0.05195634  0.61106630  0.39065599
   0.09101920  0.54856426  0.58336280
   0.35741910  0.70122423  0.79889385
   0.11009104  0.79830273  0.52385256
   0.38150390  0.96182866  0.83698013
   0.49996532  0.84983014  0.68504142
   0.20813965  0.84867810  0.69999704
   0.31376729  0.63292432 -0.01111096
   0.06412941  0.62417885  0.91269900
   0.60145077  0.05730632  0.10096634
   0.87447843  0.20562659  0.29006078
   0.66542057  0.31092596  0.02745310
   0.84700641  0.43174123  0.36164136
   0.04864011  0.35799549  0.20723279
   0.80279483  0.39567863  0.16520622
   0.81279768  0.15653097  0.46608667
   0.56371356  0.11716264  0.42593373
   0.60957795  0.07828066  0.61140679
   0.89836738  0.19247830  0.80220837
   0.63912714  0.32607100  0.53551083
   0.88592796  0.45513439  0.85904539
   0.96338328  0.31306397  0.62752287
   0.74266035  0.42551898  0.69982330
   0.79374886  0.07964775  0.98265768
   0.56935593  0.13742420  0.90575779
   0.63608939  0.55199146  0.10054728
   0.83748631  0.69768874  0.28699598
   0.61274385  0.80045350  0.04622305
   0.83759715  0.94469798  0.35461352
   0.93167512  0.91790024  0.16990184
   0.67138008  0.88216402  0.22342821
   0.80423707  0.61808242  0.47814692
   0.54431644  0.62492266  0.41556868
   0.59654707  0.58527046  0.58833602
   0.89098754  0.70123056  0.77881655
   0.65045089  0.83311380  0.46282266
   0.94691590  0.93424187  0.85770393
   0.94920117  0.89066247  0.65810162
   0.72841391  0.93123747  0.76294743
   0.82751287  0.68254513  0.97458343
   0.56974070  0.60517512  0.91571746
   0.74112809  0.83924568  0.59853155
   0.72671516  0.88888678  0.43697109
   0.93029776  0.16635137  0.11557903
   0.81201459  0.39507673  0.29744784
   0.33918523  0.05347904  0.67453729
   0.25954686  0.70645644  0.78621864
   0.01846209  1.02262169  0.29868139
   0.18547945  1.00378427 -0.04790214
   0.67316879  0.26288468  0.83759383
   0.87960932  0.32251563  0.58135169
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993970   -0.276085    0.025786
    -0.000000    9.953291    0.050232
    -0.000000   -0.000000   13.800503
   Si   O    H 
    32    64    10
Direct configuration=   170
   0.17695873  0.13622552  0.01545046
   0.41363333  0.08585702  0.37990107
   0.16608087  0.40473040  0.12895875
   0.40445221  0.34197496  0.26095886
   0.16406182  0.14297622  0.50349975
   0.41181759  0.09908848  0.88660528
   0.10587706  0.38554931  0.60623966
   0.35202115  0.35873621  0.74783488
   0.14826334  0.66003380  0.01162319
   0.39168630  0.59081206  0.38242661
   0.09590668  0.90727242  0.14589593
   0.33740300  0.83426702  0.26028264
   0.13007047  0.64685855  0.49334127
   0.40236617  0.60194704  0.88973993
   0.10260582  0.90037355  0.62030046
   0.36182022  0.92598181  0.72029700
   0.65740929  0.14945069  1.00780012
   0.89931095  0.10332488  0.37290384
   0.64678686  0.39247424  0.12960691
   0.91138530  0.27355039  0.18528597
   0.66012671  0.16888813  0.51057234
   0.91281737  0.08870865  0.89228239
   0.61494584  0.42683741  0.62591840
   0.79969013  0.33590949  0.80155320
   0.67010731  0.65728145  0.01257454
   0.88391555  0.58643870  0.37180414
   0.57846037  0.89290252  0.13047763
   0.82488620  0.84703247  0.25251626
   0.65414720  0.67268327  0.49266239
   0.91258324  0.61812550  0.87567664
   0.64062720  0.93038305  0.65585459
   0.88546878  0.86477677  0.76534200
   0.14218865  0.05886137  0.11264447
   0.35808449  0.18641941  0.29292881
   0.18302127  0.29249006  0.04457041
   0.39217718  0.42917456  0.36083386
   0.55240569  0.32447971  0.21452642
   0.30706137  0.42054407  0.18475580
   0.32267717  0.09559558  0.47704499
   0.04764244  0.11588859  0.42094604
   0.13749994  0.06108469  0.59939625
   0.36389467  0.20903349  0.80162777
   0.18268361  0.30463336  0.51884399
   0.35384785  0.46565587  0.83314050
   0.47071220  0.38036945  0.66509987
   0.21220788  0.37969107  0.69229817
   0.33978994  0.12906323 -0.01238581
   0.03974277  0.14049762  0.95458389
   0.11199018  0.55833766  0.09829196
   0.35005404  0.67389928  0.28594643
   0.11084406  0.81067051  0.04449338
   0.39508009  0.92778956  0.34871616
   0.41634899  0.86908538  0.16153659
   0.18093368  0.84124610  0.23906437
   0.29204951  0.62858137  0.46813782
   0.05241784  0.61158794  0.38995962
   0.09149954  0.54812755  0.58279970
   0.35837185  0.70210899  0.79980891
   0.10815306  0.79843430  0.52224390
   0.38260210  0.96297389  0.83732022
   0.49967497  0.85128494  0.68594510
   0.20992696  0.84995988  0.70094071
   0.31468961  0.63408270 -0.01041122
   0.06414953  0.62394039  0.91235048
   0.59914139  0.05764825  0.10004015
   0.87361670  0.20659985  0.29094975
   0.66547557  0.31043091  0.02788304
   0.84822962  0.43300091  0.36209539
   0.04881765  0.35978692  0.20782867
   0.80489038  0.39522071  0.16502490
   0.81178123  0.15627463  0.46663817
   0.56402505  0.11842077  0.42626153
   0.61099422  0.07730298  0.60878701
   0.89777055  0.19449184  0.80377316
   0.63985030  0.32571068  0.53487316
   0.88539701  0.45560392  0.85823300
   0.96395334  0.31283718  0.62779679
   0.74428474  0.42336034  0.70052042
   0.79494232  0.07866395  0.98189759
   0.57027796  0.13733681  0.90567722
   0.63406529  0.55063219  0.09969805
   0.83771306  0.69748279  0.28647812
   0.61370427  0.80199528  0.04588464
   0.83663066  0.94430678  0.35509096
   0.93247357  0.91470196  0.16965876
   0.67124204  0.88113638  0.22457879
   0.80599282  0.61701644  0.47835723
   0.54530076  0.62334867  0.41586948
   0.59555063  0.58595391  0.58858358
   0.89312310  0.69973040  0.77968350
   0.64847828  0.83454507  0.46277751
   0.94702081  0.93415514  0.85682011
   0.94985619  0.88913007  0.65714415
   0.72793997  0.93187782  0.76430880
   0.82754078  0.68172685  0.97513533
   0.56934494  0.60485668  0.91432646
   0.73108612  0.84144947  0.59761600
   0.73339307  0.88342085  0.44115058
   0.93642573  0.16194454  0.11661249
   0.80559090  0.38916513  0.30471651
   0.34102690  0.05574206  0.67260861
   0.25329792  0.71191796  0.78508812
   0.01055500  1.02078497  0.30187454
   0.18301057  1.00751186 -0.05117571
   0.67747937  0.25986503  0.83564815
   0.89157656  0.32263661  0.58434859
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993990   -0.273083    0.026285
    -0.000000    9.951765    0.055363
    -0.000000   -0.000000   13.800886
   Si   O    H 
    32    64    10
Direct configuration=   171
   0.17662197  0.13694231  0.01619485
   0.41409605  0.08584448  0.37935017
   0.16553187  0.40543669  0.12970048
   0.40356189  0.34241567  0.26118794
   0.16482236  0.14290263  0.50279493
   0.41034845  0.09899522  0.88620158
   0.10609523  0.38595337  0.60659114
   0.35149125  0.35895971  0.74810026
   0.14832597  0.65911393  0.01146621
   0.39215363  0.59037150  0.38302971
   0.09492191  0.90600803  0.14549608
   0.33750827  0.83435396  0.25961439
   0.12960308  0.64821442  0.49395021
   0.40212227  0.60169802  0.89004475
   0.10275654  0.90013495  0.62046740
   0.36062577  0.92703080  0.72111572
   0.65733242  0.14945542  1.00723567
   0.89952715  0.10328286  0.37299917
   0.64647038  0.39093088  0.13033550
   0.91083441  0.27225539  0.18603770
   0.66034059  0.16855713  0.51042033
   0.91186719  0.08998685  0.89124529
   0.61380670  0.42631182  0.62504161
   0.80062962  0.33508050  0.80197994
   0.67108463  0.65680151  0.01274654
   0.88455057  0.58603314  0.37118998
   0.57706057  0.89265574  0.13025690
   0.82446056  0.84796160  0.25255995
   0.65453440  0.67210423  0.49213439
   0.91263172  0.61917059  0.87680385
   0.64155925  0.93093624  0.65458107
   0.88556515  0.86436627  0.76581616
   0.14089219  0.05815142  0.11288039
   0.35869000  0.18632721  0.29259101
   0.18121545  0.29010762  0.04353375
   0.39182815  0.42761348  0.36096545
   0.55277841  0.32550386  0.21586208
   0.30875317  0.42046627  0.18452316
   0.32186079  0.09627421  0.47846421
   0.04751098  0.11954279  0.42102864
   0.13774311  0.06058269  0.59996164
   0.36526913  0.20891497  0.80110417
   0.18309999  0.30395519  0.51797873
   0.35328964  0.46556954  0.83430498
   0.47303177  0.38057387  0.66578236
   0.21158195  0.38097067  0.69213983
   0.34017323  0.12780602 -0.01078971
   0.03939298  0.14226219  0.95458275
   0.11253299  0.55952885  0.09881759
   0.34979959  0.67434034  0.28674001
   0.11002497  0.81081136  0.04358255
   0.39596794  0.92822689  0.34908456
   0.41602862  0.86977338  0.16162480
   0.18033902  0.84162567  0.23947732
   0.29165541  0.63125221  0.46716593
   0.05300630  0.61249775  0.38923024
   0.09211697  0.54800394  0.58189132
   0.35870281  0.70265296  0.80023999
   0.10599893  0.79864558  0.52167784
   0.38404039  0.96395688  0.83753050
   0.50006211  0.85286966  0.68714414
   0.21206426  0.85226334  0.70141331
   0.31611030  0.63482351 -0.01022838
   0.06478233  0.62422593  0.91162463
   0.59695542  0.05816417  0.09884625
   0.87304793  0.20706912  0.29166682
   0.66604755  0.30991460  0.02834875
   0.84945386  0.43420726  0.36282354
   0.04896028  0.36165832  0.20812372
   0.80665441  0.39472239  0.16564704
   0.81123767  0.15488885  0.46718648
   0.56480398  0.11999788  0.42568440
   0.61266512  0.07682069  0.60629232
   0.89656798  0.19642397  0.80537648
   0.64057482  0.32530700  0.53427315
   0.88451190  0.45567734  0.85789546
   0.96442736  0.31206556  0.62815490
   0.74550297  0.42052104  0.70142755
   0.79684541  0.07775320  0.98023712
   0.57147725  0.13661187  0.90549773
   0.63177455  0.54920303  0.09938822
   0.83750431  0.69683755  0.28577958
   0.61558309  0.80300399  0.04460925
   0.83617788  0.94369412  0.35576036
   0.93289030  0.91086134  0.16994512
   0.67071675  0.88050441  0.22540956
   0.80756272  0.61611605  0.47830090
   0.54678309  0.62188193  0.41561944
   0.59533860  0.58606214  0.58937853
   0.89494721  0.69901274  0.78002060
   0.64650479  0.83616661  0.46228735
   0.94731163  0.93435664  0.85650503
   0.95003547  0.88841392  0.65620510
   0.72659426  0.93183229  0.76540357
   0.82753482  0.67972111  0.97558246
   0.56854264  0.60498909  0.91340486
   0.72034017  0.84640157  0.59832354
   0.74124757  0.87978131  0.44211709
   0.93961145  0.15914282  0.11687242
   0.79636818  0.38639486  0.31455478
   0.34356407  0.05249083  0.66937456
   0.26353090  0.71946377  0.78362910
   0.00148893  1.02144932  0.30562652
   0.18083579  1.00821693 -0.05597378
   0.68370125  0.26023340  0.83303709
   0.89741831  0.32314946  0.58393583
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993718   -0.269805    0.026189
    -0.000000    9.950121    0.060594
    -0.000000   -0.000000   13.801763
   Si   O    H 
    32    64    10
Direct configuration=   172
   0.17604970  0.13789851  0.01696555
   0.41445702  0.08546551  0.37902235
   0.16483756  0.40595728  0.13007353
   0.40273157  0.34250589  0.26157570
   0.16532831  0.14246194  0.50221799
   0.40935715  0.09999755  0.88584481
   0.10649457  0.38581191  0.60671356
   0.35130004  0.35971065  0.74859550
   0.14915296  0.65842179  0.01105795
   0.39286505  0.59016113  0.38329408
   0.09407119  0.90437418  0.14485378
   0.33752022  0.83408179  0.25856505
   0.12935541  0.64923888  0.49420032
   0.40191969  0.60179864  0.89044850
   0.10329799  0.90003490  0.62069318
   0.36000438  0.92717336  0.72178197
   0.65716687  0.14839973  1.00658569
   0.89998865  0.10265610  0.37366660
   0.64716468  0.38958938  0.13111232
   0.91087438  0.27144511  0.18689274
   0.66110355  0.16870655  0.51023440
   0.91135350  0.09088341  0.89071595
   0.61326284  0.42547074  0.62472646
   0.80093589  0.33436735  0.80237378
   0.67127996  0.65669336  0.01276050
   0.88479921  0.58551260  0.37072322
   0.57594359  0.89248011  0.13029420
   0.82365040  0.84972117  0.25255933
   0.65510173  0.67191779  0.49135066
   0.91277381  0.61995876  0.87799897
   0.64271450  0.93133682  0.65412577
   0.88472583  0.86424024  0.76576923
   0.13976851  0.05661262  0.11336523
   0.35938450  0.18591587  0.29172712
   0.17908384  0.28939828  0.04276276
   0.39123260  0.42573828  0.36124748
   0.55253437  0.32692817  0.21647675
   0.30991565  0.41972709  0.18448598
   0.32064777  0.09809304  0.47980699
   0.04735047  0.12343213  0.42167320
   0.13797421  0.05951016  0.60078338
   0.36633733  0.20918702  0.80011753
   0.18254254  0.30313103  0.51781882
   0.35300150  0.46573712  0.83466981
   0.47398008  0.38088477  0.66636961
   0.21088189  0.38205299  0.69230861
   0.34057271  0.12757749 -0.00961434
   0.03916569  0.14458863  0.95409571
   0.11273754  0.56008586  0.09966557
   0.34952387  0.67578673  0.28778785
   0.10911560  0.81171582  0.04259887
   0.39735601  0.92775748  0.34883744
   0.41545898  0.87045143  0.16122077
   0.17899642  0.84223162  0.23905632
   0.29048629  0.63372808  0.46586621
   0.05317614  0.61364859  0.38819730
   0.09263682  0.54739769  0.58129591
   0.35919028  0.70396895  0.80076714
   0.10364593  0.79984678  0.52182607
   0.38488330  0.96441287  0.83780581
   0.49969644  0.85450351  0.68817868
   0.21394962  0.85447705  0.70197900
   0.31675031  0.63485597 -0.01015648
   0.06505820  0.62420239  0.91095680
   0.59451360  0.05851823  0.09763545
   0.87243003  0.20809359  0.29234337
   0.66620903  0.30978494  0.02858051
   0.84999670  0.43523846  0.36359796
   0.04830608  0.36290950  0.20831834
   0.80815237  0.39421378  0.16637981
   0.81100588  0.15279105  0.46738468
   0.56533211  0.12150620  0.42445731
   0.61352060  0.07564016  0.60423705
   0.89511628  0.19974640  0.80667969
   0.64178782  0.32466599  0.53343233
   0.88277479  0.45544674  0.85783697
   0.96565854  0.31149355  0.62936847
   0.74703009  0.41760016  0.70149193
   0.79852707  0.07772204  0.97828521
   0.57196521  0.13628201  0.90604028
   0.62963765  0.54805562  0.09925825
   0.83744457  0.69588603  0.28544826
   0.61771227  0.80287796  0.04255970
   0.83557911  0.94274732  0.35644256
   0.93339069  0.90743222  0.17014608
   0.67005207  0.87997491  0.22624575
   0.80893982  0.61565570  0.47849850
   0.54782821  0.62077700  0.41535252
   0.59519670  0.58615213  0.58997867
   0.89615549  0.69871911  0.78057545
   0.64628977  0.83745102  0.46217057
   0.94738836  0.93605833  0.85600919
   0.95024941  0.88844634  0.65562942
   0.72514649  0.93152065  0.76652281
   0.82795287  0.67717118  0.97571615
   0.56724202  0.60481061  0.91233453
   0.71338627  0.84652521  0.59642159
   0.74348595  0.87396652  0.44355969
   0.94348497  0.16386197  0.11605355
   0.78775162  0.38296179  0.32302022
   0.34706510  0.04868959  0.66789712
   0.27490144  0.72415509  0.78521078
  -0.00957805  1.02120153  0.30618171
   0.17898777  1.01061653 -0.06147555
   0.68209421  0.26220642  0.83209198
   0.89070537  0.32727355  0.57718111
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993430   -0.266805    0.026146
    -0.000000    9.948700    0.065841
    -0.000000   -0.000000   13.802394
   Si   O    H 
    32    64    10
Direct configuration=   173
   0.17498539  0.13799272  0.01732762
   0.41454686  0.08495598  0.37852958
   0.16394091  0.40708674  0.13039677
   0.40190498  0.34224804  0.26196897
   0.16652921  0.14173785  0.50143395
   0.40892026  0.10117240  0.88550354
   0.10640258  0.38549573  0.60664550
   0.35153444  0.35996354  0.74927148
   0.15001214  0.65809258  0.01072897
   0.39294608  0.59027738  0.38346704
   0.09352569  0.90267995  0.14442872
   0.33766002  0.83351072  0.25785972
   0.12960052  0.65026596  0.49412100
   0.40197828  0.60244763  0.89040143
   0.10450406  0.90020293  0.62104616
   0.35973656  0.92702274  0.72239914
   0.65716131  0.14732080  1.00638079
   0.89984107  0.10231109  0.37433570
   0.64839025  0.38902056  0.13210731
   0.91095026  0.27067635  0.18792954
   0.66163496  0.16865856  0.51004880
   0.91091781  0.09178893  0.89028101
   0.61303200  0.42530302  0.62418191
   0.80159085  0.33418938  0.80266965
   0.67103172  0.65622641  0.01248028
   0.88492161  0.58559387  0.36998592
   0.57482195  0.89249324  0.13032539
   0.82313245  0.85126678  0.25255099
   0.65617495  0.67166437  0.49086277
   0.91274044  0.62097996  0.87923569
   0.64292263  0.93192303  0.65363952
   0.88311652  0.86361030  0.76529684
   0.13832419  0.05491982  0.11367782
   0.35996052  0.18501871  0.29138211
   0.17741011  0.29008873  0.04205150
   0.39045330  0.42427223  0.36141159
   0.55288966  0.32849317  0.21684377
   0.31033772  0.41929975  0.18406893
   0.31916592  0.09977998  0.48048224
   0.04647134  0.12630006  0.42253468
   0.13814157  0.05769784  0.60186568
   0.36673918  0.20924877  0.79883992
   0.18192198  0.30189026  0.51820121
   0.35367114  0.46582920  0.83514296
   0.47471363  0.38052876  0.66745100
   0.20952393  0.38238431  0.69269830
   0.34142393  0.12794297 -0.00814638
   0.03840874  0.14680430  0.95347369
   0.11312353  0.56055919  0.10083730
   0.34955095  0.67659741  0.28888215
   0.10784977  0.81187505  0.04189607
   0.39915141  0.92723941  0.34896232
   0.41496573  0.87077127  0.16068577
   0.17717988  0.84400599  0.23871485
   0.28854797  0.63584121  0.46458261
   0.05319951  0.61431978  0.38715979
   0.09302397  0.54685003  0.58092262
   0.36063724  0.70493401  0.80173782
   0.10190067  0.80155382  0.52236776
   0.38533346  0.96386219  0.83757678
   0.50033953  0.85621337  0.68914246
   0.21560342  0.85610120  0.70206240
   0.31704564  0.63548154 -0.01028789
   0.06471444  0.62407491  0.91048742
   0.59275715  0.05906449  0.09627070
   0.87141350  0.20874617  0.29353334
   0.66624508  0.30975068  0.02884749
   0.85110021  0.43588214  0.36470394
   0.04782514  0.36482475  0.20838242
   0.80879848  0.39440727  0.16722150
   0.81048317  0.15119126  0.46721152
   0.56516724  0.12270757  0.42306326
   0.61426039  0.07374534  0.60271418
   0.89366988  0.20311732  0.80775766
   0.64277851  0.32564927  0.53263844
   0.88138908  0.45587238  0.85783458
   0.96607319  0.31133990  0.63023721
   0.74814507  0.41503253  0.70122057
   0.79966873  0.07797140  0.97692738
   0.57183932  0.13650006  0.90672131
   0.62766102  0.54686529  0.09928681
   0.83740670  0.69475729  0.28551857
   0.62001979  0.80232798  0.04039515
   0.83514149  0.94156230  0.35757566
   0.93361144  0.90369907  0.17028469
   0.66970967  0.87979689  0.22624369
   0.81006757  0.61584855  0.47828348
   0.54808219  0.61925111  0.41499730
   0.59466455  0.58567922  0.59037318
   0.89738750  0.69872174  0.78121004
   0.64606198  0.83823421  0.46178317
   0.94806114  0.93765666  0.85545203
   0.95040719  0.88813883  0.65536693
   0.72451061  0.93025699  0.76705579
   0.82767785  0.67555457  0.97601619
   0.56575866  0.60453251  0.91140797
   0.71315881  0.84112669  0.59223910
   0.73863858  0.86924308  0.44382895
   0.94729890  0.17222280  0.11622318
   0.77878164  0.38121229  0.32855094
   0.35517779  0.04703452  0.66317782
   0.27017386  0.73148757  0.78443366
  -0.02446450  1.01665721  0.30088466
   0.17892769  1.01123119 -0.06527800
   0.67466703  0.26342438  0.83503705
   0.89390633  0.32990572  0.57507312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992846   -0.263794    0.026215
    -0.000000    9.947436    0.071665
    -0.000000   -0.000000   13.803217
   Si   O    H 
    32    64    10
Direct configuration=   174
   0.17404839  0.13746942  0.01744946
   0.41393315  0.08524926  0.37823103
   0.16300468  0.40790425  0.13070027
   0.40059487  0.34161319  0.26230853
   0.16769717  0.14105353  0.50115357
   0.40891025  0.10281414  0.88501130
   0.10647971  0.38527924  0.60644307
   0.35180599  0.35963149  0.74943961
   0.15120172  0.65705416  0.01066708
   0.39203370  0.59027865  0.38358642
   0.09314580  0.90164024  0.14401787
   0.33788438  0.83375518  0.25729461
   0.12954593  0.65076815  0.49421970
   0.40221998  0.60339935  0.89014974
   0.10581520  0.90018920  0.62054944
   0.36030129  0.92698106  0.72271491
   0.65683782  0.14626452  1.00616414
   0.89907936  0.10136327  0.37501656
   0.64973171  0.38846041  0.13271839
   0.91103347  0.27020500  0.18901517
   0.66201132  0.16878757  0.50947807
   0.91077378  0.09256720  0.89022650
   0.61282148  0.42567262  0.62354277
   0.80164584  0.33429669  0.80256923
   0.67035588  0.65589858  0.01212195
   0.88540770  0.58585849  0.36961371
   0.57407265  0.89297815  0.12973053
   0.82288929  0.85349808  0.25239678
   0.65654806  0.67081137  0.49101311
   0.91249156  0.62200554  0.88084415
   0.64283929  0.93278558  0.65316871
   0.88174957  0.86300216  0.76471573
   0.13716818  0.05379359  0.11346131
   0.36047157  0.18446005  0.29076705
   0.17648663  0.29205178  0.04205834
   0.38890974  0.42269333  0.36160946
   0.55278433  0.33022474  0.21754783
   0.31059936  0.41925097  0.18365996
   0.31813747  0.10046865  0.47961200
   0.04528585  0.12874318  0.42309839
   0.13775681  0.05550070  0.60236942
   0.36766799  0.21045718  0.79796458
   0.18159635  0.30116478  0.51932480
   0.35427440  0.46631557  0.83632063
   0.47520234  0.37999491  0.66810668
   0.20745921  0.38313468  0.69330584
   0.34257915  0.12833341 -0.00707509
   0.03798422  0.14890366  0.95347693
   0.11453126  0.56060117  0.10135899
   0.34993194  0.67752790  0.28992680
   0.10622681  0.81244789  0.04112530
   0.40017850  0.92696771  0.34832117
   0.41524722  0.87141400  0.15980168
   0.17593353  0.84639906  0.23781993
   0.28675989  0.63847936  0.46378632
   0.05286599  0.61443769  0.38661635
   0.09237853  0.54712810  0.58034189
   0.36271339  0.70575517  0.80235008
   0.09996303  0.80258823  0.52365791
   0.38555585  0.96354894  0.83718284
   0.50058126  0.85752461  0.68999452
   0.21834505  0.85712748  0.70207448
   0.31675541  0.63658318 -0.00997927
   0.06474893  0.62372024  0.91030043
   0.59102559  0.05923152  0.09552212
   0.87021982  0.20962237  0.29444562
   0.66582309  0.30869147  0.02928990
   0.85186385  0.43475652  0.36498738
   0.04795308  0.36534841  0.20867372
   0.80916899  0.39543938  0.16760507
   0.80910377  0.14929428  0.46704333
   0.56415823  0.12368362  0.42177825
   0.61439665  0.07225287  0.60148871
   0.89270440  0.20610744  0.80927573
   0.64411687  0.32639201  0.53190032
   0.87970628  0.45700883  0.85784770
   0.96621764  0.31157346  0.63078244
   0.74909609  0.41182209  0.70030948
   0.80095119  0.07822088  0.97556706
   0.57157097  0.13693670  0.90787792
   0.62616153  0.54671991  0.09970713
   0.83660569  0.69414931  0.28577528
   0.62184034  0.80177981  0.03863201
   0.83571346  0.94142645  0.35824695
   0.93352600  0.89991667  0.17013820
   0.67021557  0.87927916  0.22631797
   0.81129495  0.61639263  0.47777939
   0.54781650  0.61744632  0.41495181
   0.59474862  0.58490798  0.59016388
   0.89807089  0.69998187  0.78131644
   0.64646597  0.83814010  0.46189106
   0.94924411  0.93955400  0.85538294
   0.95146273  0.88818185  0.65601678
   0.72486117  0.92939457  0.76730146
   0.82775991  0.67378754  0.97660901
   0.56486765  0.60475602  0.91085700
   0.71336074  0.83817236  0.59250987
   0.73096771  0.86862850  0.44538867
   0.94675776  0.17685771  0.11579408
   0.77765282  0.38425647  0.33465340
   0.36331127  0.04657840  0.65965354
   0.26490449  0.73137705  0.78459142
  -0.03355081  1.00998556  0.29327541
   0.17682025  1.01268683 -0.06739041
   0.67231162  0.26721213  0.83667525
   0.90194244  0.33038991  0.57921133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.991913   -0.261011    0.026715
    -0.000000    9.946620    0.077516
    -0.000000   -0.000000   13.803924
   Si   O    H 
    32    64    10
Direct configuration=   175
   0.17344645  0.13690511  0.01726700
   0.41288449  0.08477752  0.37799997
   0.16214283  0.40829768  0.13103861
   0.39939583  0.34118193  0.26253392
   0.16841012  0.14065470  0.50081212
   0.40952981  0.10493346  0.88476930
   0.10684964  0.38509327  0.60602248
   0.35240893  0.35946590  0.74975578
   0.15169412  0.65655063  0.01018032
   0.39100690  0.59036053  0.38400708
   0.09236943  0.89994637  0.14375590
   0.33811339  0.83407295  0.25742015
   0.12938350  0.65123596  0.49381902
   0.40304715  0.60466356  0.88974800
   0.10720911  0.90020185  0.62015594
   0.36109432  0.92755765  0.72340162
   0.65717093  0.14545848  1.00573521
   0.89779582  0.10083488  0.37636411
   0.65116947  0.38779397  0.13300576
   0.91176270  0.27032224  0.19031912
   0.66224294  0.16920429  0.50881635
   0.91068096  0.09399084  0.89053601
   0.61289796  0.42601453  0.62271692
   0.80130510  0.33492234  0.80233291
   0.66934147  0.65526471  0.01126598
   0.88603681  0.58582846  0.36910479
   0.57378445  0.89415249  0.12913708
   0.82266972  0.85489968  0.25281305
   0.65666910  0.66967464  0.49163831
   0.91197458  0.62223181  0.88212968
   0.64279134  0.93273656  0.65316815
   0.88034738  0.86254813  0.76406909
   0.13672568  0.05229999  0.11301767
   0.36083689  0.18345923  0.29053666
   0.17622312  0.29518831  0.04230369
   0.38675699  0.42147840  0.36206150
   0.55259990  0.33093312  0.21806397
   0.31073979  0.41894515  0.18326520
   0.31657507  0.10114421  0.47832401
   0.04507588  0.13040346  0.42390598
   0.13695718  0.05405810  0.60204981
   0.36829760  0.21169603  0.79792187
   0.18114105  0.30127360  0.52069141
   0.35457088  0.46648296  0.83717563
   0.47454892  0.37953905  0.66914094
   0.20581116  0.38372162  0.69471921
   0.34389843  0.12870864 -0.00597144
   0.03725398  0.15089636  0.95308275
   0.11644886  0.56053542  0.10182415
   0.35035911  0.67846317  0.29021540
   0.10487588  0.81307333  0.04118813
   0.40102717  0.92759367  0.34729804
   0.41663707  0.87134934  0.15905968
   0.17527023  0.84922277  0.23630940
   0.28620487  0.64028316  0.46300012
   0.05243813  0.61415165  0.38616729
   0.09196271  0.54742219  0.57961035
   0.36336970  0.70649373  0.80307846
   0.09821608  0.80426040  0.52526602
   0.38566220  0.96380623  0.83634220
   0.50012523  0.85765047  0.69036482
   0.22059107  0.85764096  0.70134719
   0.31650821  0.63758247 -0.00994918
   0.06545897  0.62363041  0.91067519
   0.58994719  0.05944230  0.09505734
   0.86890682  0.20989945  0.29515057
   0.66538124  0.30782066  0.02969937
   0.85270487  0.43339554  0.36541708
   0.04768191  0.36622201  0.20875138
   0.80929681  0.39621790  0.16787380
   0.80814556  0.14773250  0.46688602
   0.56314693  0.12471676  0.42022207
   0.61475077  0.07084213  0.60019583
   0.89181869  0.20880248  0.81017690
   0.64473048  0.32701601  0.53132903
   0.87772489  0.45729084  0.85836572
   0.96652940  0.31194135  0.63166542
   0.74854476  0.40838193  0.69899453
   0.80152725  0.07845730  0.97495978
   0.57084810  0.13716202  0.90849473
   0.62553842  0.54617191  0.10067453
   0.83572303  0.69316064  0.28571783
   0.62341052  0.80179776  0.03727798
   0.83637179  0.94144701  0.35900752
   0.93279786  0.89687008  0.16961181
   0.67095416  0.87856392  0.22641578
   0.81183452  0.61683479  0.47695653
   0.54770639  0.61571581  0.41470352
   0.59550344  0.58374421  0.58970531
   0.89834701  0.70182404  0.78087555
   0.64519434  0.83721422  0.46164128
   0.95064821  0.94116740  0.85577786
   0.95247593  0.88800039  0.65688827
   0.72527154  0.92825928  0.76746045
   0.82734247  0.67115180  0.97738258
   0.56461480  0.60462724  0.91074454
   0.71226733  0.83695687  0.59554234
   0.73650711  0.87338827  0.44497859
   0.94757881  0.17680484  0.11230121
   0.77764824  0.38614393  0.33793861
   0.36993500  0.04516253  0.65675822
   0.27058013  0.72496919  0.78453903
  -0.03547306  1.00457046  0.28252075
   0.17140294  1.01112151 -0.06724667
   0.67179434  0.27260346  0.84009129
   0.90866889  0.33255684  0.58240647
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.991055   -0.257901    0.027507
    -0.000000    9.946218    0.083147
    -0.000000   -0.000000   13.804562
   Si   O    H 
    32    64    10
Direct configuration=   176
   0.17297634  0.13653826  0.01695451
   0.41170352  0.08413195  0.37791503
   0.16199136  0.40762247  0.13135016
   0.39820559  0.34065713  0.26246244
   0.16871208  0.14014731  0.50059287
   0.40974570  0.10753807  0.88461561
   0.10749574  0.38518565  0.60581866
   0.35301545  0.35942067  0.75008830
   0.15184485  0.65643674  0.00980913
   0.39013106  0.59034116  0.38457205
   0.09145743  0.89801754  0.14358309
   0.33781319  0.83494991  0.25741279
   0.12905765  0.65123675  0.49307604
   0.40393025  0.60559388  0.88940645
   0.10812141  0.89955183  0.61931312
   0.36225898  0.92816857  0.72400537
   0.65735044  0.14483206  1.00501242
   0.89690836  0.10006128  0.37792616
   0.65257619  0.38746671  0.13334081
   0.91294747  0.27083787  0.19117669
   0.66222741  0.16934583  0.50819164
   0.91055582  0.09514978  0.89153516
   0.61257121  0.42587727  0.62154021
   0.80004965  0.33612024  0.80261106
   0.66817895  0.65347564  0.00995627
   0.88671554  0.58710505  0.36902815
   0.57312255  0.89507586  0.12898241
   0.82287675  0.85623284  0.25303799
   0.65624749  0.66861502  0.49174007
   0.91126544  0.62275050  0.88306775
   0.64278363  0.93173398  0.65336811
   0.87919026  0.86191810  0.76374335
   0.13605496  0.05042693  0.11235765
   0.36232494  0.18321354  0.29050090
   0.17635109  0.29899776  0.04322082
   0.38488224  0.42053949  0.36262858
   0.55151872  0.33093724  0.21850920
   0.31074259  0.41821702  0.18268282
   0.31567135  0.10164215  0.47701174
   0.04489897  0.13070638  0.42440105
   0.13551982  0.05352320  0.60124578
   0.36881828  0.21286479  0.79857395
   0.18111972  0.30157210  0.52191657
   0.35448877  0.46628295  0.83786142
   0.47312055  0.37852969  0.67070263
   0.20506868  0.38434953  0.69642264
   0.34507085  0.12963422 -0.00518749
   0.03647911  0.15276738  0.95267450
   0.11804336  0.56054188  0.10206335
   0.35099797  0.67922980  0.29046237
   0.10308556  0.81395109  0.04142165
   0.40225112  0.92854842  0.34611909
   0.41821427  0.87102392  0.15814796
   0.17391398  0.85271072  0.23474508
   0.28632673  0.64155593  0.46263946
   0.05132822  0.61391690  0.38619504
   0.09211346  0.54716580  0.57893284
   0.36420765  0.70734993  0.80379411
   0.09710427  0.80589656  0.52608586
   0.38579633  0.96409072  0.83617808
   0.50039853  0.85770018  0.69080276
   0.22155314  0.85839586  0.70084636
   0.31570926  0.63808639 -0.00969031
   0.06654690  0.62384067  0.91156137
   0.58929152  0.05911946  0.09484575
   0.86781787  0.20951980  0.29559321
   0.66427542  0.30727673  0.03035098
   0.85384028  0.43264198  0.36709364
   0.04708438  0.36596439  0.20885115
   0.80945597  0.39722498  0.16836185
   0.80652715  0.14683776  0.46640436
   0.56193648  0.12537205  0.41848330
   0.61593657  0.06977743  0.59915444
   0.89054183  0.20997665  0.81049557
   0.64489672  0.32764858  0.53018418
   0.87606160  0.45809422  0.85897362
   0.96822627  0.31149630  0.63259550
   0.74748628  0.40660716  0.69723664
   0.80217067  0.07931794  0.97534329
   0.56970389  0.13736287  0.90942400
   0.62396631  0.54548494  0.10122237
   0.83508521  0.69221677  0.28543067
   0.62461777  0.80321966  0.03623724
   0.83698131  0.94163566  0.35967070
   0.93191131  0.89430379  0.16966477
   0.67114264  0.87838187  0.22562940
   0.81190678  0.61718010  0.47573469
   0.54750593  0.61379645  0.41434766
   0.59596706  0.58273067  0.58908041
   0.89867609  0.70332996  0.78050476
   0.64420757  0.83523631  0.46145951
   0.95110121  0.94204120  0.85697035
   0.95300021  0.88772981  0.65768788
   0.72548138  0.92677743  0.76714459
   0.82630764  0.66845985  0.97837963
   0.56523311  0.60523946  0.91122921
   0.71417363  0.83533058  0.59940090
   0.74001722  0.87812083  0.44435065
   0.94756464  0.17708915  0.10793352
   0.77757457  0.38554656  0.33933517
   0.37607899  0.04491658  0.65606818
   0.27386905  0.71738692  0.78514884
  -0.03341764  1.00607720  0.27230800
   0.16801677  1.00957887 -0.06766373
   0.66965775  0.27986277  0.84356620
   0.90297401  0.33757393  0.58034960
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990134   -0.254400    0.027617
    -0.000000    9.945848    0.088424
    -0.000000   -0.000000   13.805035
   Si   O    H 
    32    64    10
Direct configuration=   177
   0.17252976  0.13637108  0.01582911
   0.41140296  0.08396050  0.37821313
   0.16206978  0.40641083  0.13171575
   0.39693155  0.33997485  0.26250650
   0.16917971  0.14019151  0.50040011
   0.41019507  0.10976015  0.88471889
   0.10838371  0.38572504  0.60596912
   0.35349398  0.35923119  0.74974300
   0.15265885  0.65635367  0.00953258
   0.38985638  0.59013794  0.38496283
   0.09079953  0.89677132  0.14276487
   0.33784466  0.83568822  0.25732436
   0.12853816  0.65086197  0.49222050
   0.40450684  0.60627871  0.88908915
   0.10819964  0.89901557  0.61904510
   0.36356718  0.92912798  0.72421863
   0.65744283  0.14376578  1.00482050
   0.89637073  0.09932887  0.37926772
   0.65387392  0.38818392  0.13366258
   0.91387943  0.27140310  0.19177597
   0.66143780  0.16939888  0.50779864
   0.91107849  0.09548606  0.89225940
   0.61268505  0.42661443  0.62079098
   0.79776269  0.33766160  0.80272923
   0.66722861  0.65196102  0.00867923
   0.88774723  0.58829995  0.36905109
   0.57258852  0.89608025  0.12891795
   0.82354623  0.85744775  0.25362847
   0.65558059  0.66822826  0.49193740
   0.91118977  0.62274116  0.88393042
   0.64343812  0.93047068  0.65378091
   0.87817104  0.86146093  0.76350281
   0.13533529  0.04892157  0.11235456
   0.36374352  0.18251636  0.29026176
   0.17686766  0.30318684  0.04459278
   0.38350695  0.42007445  0.36260182
   0.55101350  0.33098038  0.21920111
   0.31082978  0.41734347  0.18169211
   0.31542801  0.10173524  0.47502310
   0.04530765  0.13018720  0.42451544
   0.13428256  0.05284055  0.60046512
   0.36876674  0.21525814  0.79899588
   0.18057239  0.30191179  0.52334968
   0.35445582  0.46591514  0.83885255
   0.47134926  0.37768357  0.67176172
   0.20457571  0.38474556  0.69841981
   0.34558361  0.13018043 -0.00407636
   0.03556012  0.15405258  0.95238392
   0.11922981  0.56000691  0.10256784
   0.35195819  0.67954597  0.28996133
   0.10233199  0.81418333  0.04184916
   0.40315526  0.92953213  0.34542724
   0.41996072  0.87003631  0.15775912
   0.17353142  0.85533812  0.23342073
   0.28612346  0.64232791  0.46307696
   0.05025233  0.61401056  0.38698199
   0.09094272  0.54642209  0.57870238
   0.36459554  0.70814980  0.80462031
   0.09595756  0.80779756  0.52644373
   0.38577319  0.96454406  0.83674274
   0.50122434  0.85755796  0.69127011
   0.22213179  0.85867272  0.70148700
   0.31452329  0.63936264 -0.00992807
   0.06825011  0.62487926  0.91212559
   0.58894630  0.05837924  0.09541563
   0.86703248  0.20827266  0.29615748
   0.66299814  0.30643009  0.03117060
   0.85436241  0.43205228  0.36858155
   0.04622241  0.36618499  0.20922037
   0.80991420  0.39691551  0.16871739
   0.80537556  0.14556839  0.46590120
   0.56059523  0.12622403  0.41713315
   0.61788404  0.06922596  0.59830600
   0.88996520  0.21034454  0.81019592
   0.64499930  0.32850014  0.52886674
   0.87472623  0.45914968  0.85982937
   0.96886984  0.31150163  0.63323919
   0.74652546  0.40527810  0.69500844
   0.80263465  0.08029695  0.97651686
   0.56766629  0.13724386  0.91026566
   0.62324504  0.54539385  0.10102296
   0.83465097  0.69241109  0.28501842
   0.62527282  0.80542194  0.03567714
   0.83759393  0.94148597  0.35967607
   0.93096907  0.89235258  0.16973082
   0.67130804  0.87840283  0.22451438
   0.81135742  0.61815498  0.47437330
   0.54717843  0.61184351  0.41405338
   0.59619549  0.58210773  0.58887566
   0.89894950  0.70425316  0.78000130
   0.64437812  0.83301526  0.46188725
   0.95110882  0.94332031  0.85758923
   0.95314028  0.88770223  0.65850184
   0.72589274  0.92545600  0.76668658
   0.82527987  0.66610258  0.97938157
   0.56605933  0.60648606  0.91182299
   0.71670709  0.83324506  0.60321014
   0.73347349  0.87943373  0.44575587
   0.94951292  0.17932543  0.10520947
   0.77504099  0.38246468  0.33733873
   0.37970801  0.04276041  0.65918404
   0.27107708  0.70762739  0.78687585
  -0.02999551  1.01151845  0.26259684
   0.16822774  1.00941589 -0.06867428
   0.66922376  0.28870288  0.84519065
   0.89832713  0.33847637  0.58221833
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989218   -0.250711    0.027629
    -0.000000    9.945323    0.093806
    -0.000000   -0.000000   13.805674
   Si   O    H 
    32    64    10
Direct configuration=   178
   0.17230543  0.13646551  0.01488811
   0.41151945  0.08426774  0.37895105
   0.16192629  0.40576623  0.13199044
   0.39545977  0.33974530  0.26256757
   0.16852732  0.14085111  0.49998269
   0.41065294  0.11135949  0.88488563
   0.10915976  0.38610430  0.60648171
   0.35348192  0.35941610  0.74955127
   0.15312975  0.65664642  0.00918708
   0.38990371  0.59000715  0.38545081
   0.08986485  0.89533188  0.14173853
   0.33792005  0.83642845  0.25716800
   0.12732138  0.65043479  0.49129334
   0.40567336  0.60666963  0.88909531
   0.10806129  0.89804905  0.61883589
   0.36551251  0.93047013  0.72447057
   0.65766681  0.14334675  1.00485468
   0.89646441  0.09741426  0.38037598
   0.65585924  0.38929020  0.13426312
   0.91505463  0.27200745  0.19243030
   0.66019118  0.16933256  0.50694962
   0.91179001  0.09516778  0.89275543
   0.61256978  0.42716405  0.62037711
   0.79550823  0.33867790  0.80249733
   0.66539840  0.65045063  0.00735443
   0.88889320  0.58929863  0.36894541
   0.57290190  0.89703966  0.12910331
   0.82374504  0.85798895  0.25478813
   0.65569671  0.66746226  0.49219852
   0.91115748  0.62195741  0.88414525
   0.64364907  0.92927732  0.65427977
   0.87671865  0.86147872  0.76300207
   0.13517439  0.04719026  0.11262533
   0.36523992  0.18212581  0.29019841
   0.17793021  0.30723251  0.04607409
   0.38196094  0.42067150  0.36286869
   0.55078488  0.33113466  0.21953068
   0.31072987  0.41602338  0.18070668
   0.31576690  0.10168063  0.47337010
   0.04554060  0.12931893  0.42488333
   0.13247378  0.05329544  0.59909213
   0.36860484  0.21748421  0.79878438
   0.18032532  0.30212649  0.52441189
   0.35463441  0.46559404  0.83996890
   0.47040575  0.37717680  0.67185220
   0.20398579  0.38544698  0.70066030
   0.34612390  0.13014976 -0.00384089
   0.03528769  0.15514674  0.95191178
   0.11982569  0.55964881  0.10339010
   0.35299399  0.67973416  0.28949643
   0.10218986  0.81322242  0.04259986
   0.40296543  0.92951107  0.34443097
   0.42127467  0.86808914  0.15776058
   0.17394467  0.85707007  0.23290643
   0.28449444  0.64338103  0.46354798
   0.04885727  0.61456340  0.38786212
   0.08986474  0.54543775  0.57877777
   0.36497889  0.70920802  0.80534694
   0.09428440  0.80900789  0.52634750
   0.38546398  0.96507608  0.83775786
   0.50221422  0.85749316  0.69155053
   0.22218199  0.85879770  0.70201140
   0.31332698  0.64073729 -0.01032597
   0.06997318  0.62603107  0.91237438
   0.58851649  0.05748901  0.09569131
   0.86675836  0.20719093  0.29646742
   0.66140585  0.30612171  0.03180639
   0.85397973  0.43121326  0.36966768
   0.04564991  0.36636608  0.20996452
   0.81020674  0.39615078  0.16918497
   0.80422033  0.14433320  0.46571014
   0.55863358  0.12655750  0.41587436
   0.61885568  0.07019541  0.59756933
   0.88964402  0.20961686  0.80989487
   0.64498928  0.33054042  0.52719805
   0.87321695  0.46100458  0.86091472
   0.96897289  0.31190439  0.63381424
   0.74507158  0.40350200  0.69333066
   0.80218596  0.08065008  0.97789822
   0.56549277  0.13676485  0.91098890
   0.62220891  0.54575827  0.10043718
   0.83381604  0.69306241  0.28486725
   0.62617067  0.80764689  0.03498188
   0.83842303  0.94107332  0.35939722
   0.93009091  0.88974611  0.16929634
   0.67132558  0.87842203  0.22330709
   0.81042485  0.61942686  0.47355200
   0.54636274  0.61023277  0.41395018
   0.59633716  0.58181822  0.58840153
   0.89968155  0.70466378  0.77929477
   0.64404832  0.83028676  0.46223776
   0.95124930  0.94382190  0.85791341
   0.95313198  0.88841247  0.65929169
   0.72627893  0.92441156  0.76556435
   0.82418417  0.66400054  0.97993486
   0.56614402  0.60764427  0.91291738
   0.72020194  0.82828102  0.60513995
   0.72357564  0.87977387  0.44972255
   0.94679053  0.18548807  0.10437609
   0.77819164  0.38461444  0.33637705
   0.38201359  0.04226641  0.66092157
   0.26491524  0.69820445  0.78904542
  -0.02190730  1.01808921  0.25456231
   0.16841408  1.01093540 -0.06918056
   0.66836079  0.29529435  0.84626218
   0.89978892  0.33937789  0.58780205
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988005   -0.247428    0.027645
    -0.000000    9.944697    0.099119
    -0.000000   -0.000000   13.806194
   Si   O    H 
    32    64    10
Direct configuration=   179
   0.17261726  0.13667920  0.01382607
   0.41146127  0.08462389  0.37961424
   0.16112555  0.40525181  0.13261300
   0.39387331  0.33958585  0.26281866
   0.16735295  0.14154723  0.49923382
   0.41116883  0.11363044  0.88471426
   0.11033175  0.38609726  0.60690407
   0.35346404  0.36004184  0.74918965
   0.15394636  0.65732256  0.00896619
   0.38960875  0.59006834  0.38524660
   0.08896966  0.89425398  0.14100277
   0.33815927  0.83732918  0.25708034
   0.12590718  0.64982089  0.49052170
   0.40653422  0.60640805  0.88912557
   0.10773232  0.89728454  0.61887899
   0.36697135  0.93127549  0.72500151
   0.65768942  0.14328519  1.00505544
   0.89699287  0.09578621  0.38155983
   0.65742756  0.39022825  0.13519339
   0.91649244  0.27213082  0.19298104
   0.65877077  0.16933232  0.50562355
   0.91252999  0.09520394  0.89339228
   0.61284848  0.42717047  0.62021412
   0.79290554  0.34011627  0.80220406
   0.66277481  0.64919301  0.00606128
   0.88940780  0.59042569  0.36895698
   0.57335743  0.89829849  0.12936415
   0.82384155  0.85847531  0.25587079
   0.65536942  0.66674223  0.49226259
   0.91104731  0.62112640  0.88373158
   0.64427464  0.92777846  0.65486780
   0.87556188  0.86211741  0.76222038
   0.13502438  0.04592419  0.11289503
   0.36609422  0.18266700  0.28968722
   0.17875324  0.31076618  0.04714225
   0.38047347  0.42183605  0.36300353
   0.55041221  0.33243365  0.21972211
   0.31063799  0.41462410  0.17987039
   0.31653891  0.10124856  0.47201567
   0.04581586  0.12820660  0.42461093
   0.13064661  0.05464440  0.59706423
   0.36857784  0.21912789  0.79902021
   0.18058973  0.30129784  0.52483262
   0.35535383  0.46490441  0.84062930
   0.47038901  0.37681570  0.67152757
   0.20379714  0.38522491  0.70292676
   0.34606632  0.13048641 -0.00413833
   0.03483826  0.15698494  0.95154613
   0.12008307  0.55901354  0.10396469
   0.35417866  0.68012554  0.28889837
   0.10303723  0.81141088  0.04288700
   0.40342455  0.92897874  0.34305143
   0.42210619  0.86617874  0.15786092
   0.17538638  0.85890325  0.23234508
   0.28309364  0.64474797  0.46444320
   0.04701282  0.61475205  0.38907447
   0.08879447  0.54434504  0.57837737
   0.36431775  0.71019338  0.80609133
   0.09292024  0.80899581  0.52577970
   0.38450788  0.96576925  0.83881672
   0.50367928  0.85804497  0.69173608
   0.22224348  0.85907878  0.70241410
   0.31268439  0.64239810 -0.01076965
   0.07170544  0.62689383  0.91213427
   0.58819088  0.05614513  0.09598180
   0.86628629  0.20494951  0.29649453
   0.65992513  0.30508374  0.03214696
   0.85383893  0.43006854  0.37044712
   0.04547785  0.36743881  0.21018811
   0.81040412  0.39559639  0.16947217
   0.80261738  0.14334801  0.46589470
   0.55717010  0.12661813  0.41444480
   0.61962177  0.06994151  0.59759626
   0.88984442  0.20956706  0.80998905
   0.64485152  0.33266019  0.52610867
   0.87200168  0.46295078  0.86161231
   0.96866109  0.31260639  0.63382597
   0.74459608  0.40208200  0.69203914
   0.80111171  0.08012140  0.97906757
   0.56406425  0.13638444  0.91129416
   0.62157150  0.54618135  0.09956966
   0.83314825  0.69393829  0.28478788
   0.62652852  0.80879932  0.03475956
   0.83914627  0.94091882  0.35921521
   0.92939314  0.88767634  0.16880508
   0.67128974  0.87826401  0.22195953
   0.80955417  0.62142536  0.47355178
   0.54524503  0.60908093  0.41348961
   0.59676165  0.58092441  0.58829928
   0.90102720  0.70453059  0.77915472
   0.64253201  0.82681696  0.46308092
   0.95079680  0.94394820  0.85805775
   0.95324069  0.88948903  0.66029190
   0.72660708  0.92407720  0.76389010
   0.82315140  0.66231972  0.98037005
   0.56572793  0.60916499  0.91413265
   0.72308069  0.82334044  0.60814127
   0.72364244  0.88526334  0.45185474
   0.93710335  0.19124086  0.10360509
   0.78330585  0.39062722  0.33565355
   0.38437818  0.04708894  0.65898332
   0.26666854  0.68917021  0.79283778
  -0.01416462  1.02777612  0.25086027
   0.16928985  1.01234840 -0.07106535
   0.66550406  0.30234991  0.85061608
   0.90364004  0.34189611  0.59329249
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986943   -0.243732    0.027796
    -0.000000    9.943679    0.103920
    -0.000000   -0.000000   13.806645
   Si   O    H 
    32    64    10
Direct configuration=   180
   0.17347645  0.13727096  0.01290218
   0.41101968  0.08552501  0.38015129
   0.16054296  0.40497881  0.13345158
   0.39263292  0.33921726  0.26334373
   0.16650215  0.14211053  0.49891352
   0.41157662  0.11588159  0.88506559
   0.11134105  0.38596809  0.60736846
   0.35306446  0.36135389  0.74910709
   0.15486722  0.65790855  0.00899376
   0.38931723  0.58936564  0.38475131
   0.08766762  0.89340961  0.14044463
   0.33894015  0.83819586  0.25668295
   0.12396761  0.64911235  0.48955640
   0.40719166  0.60628444  0.88877389
   0.10749100  0.89628988  0.61965488
   0.36829782  0.93200982  0.72501211
   0.65778352  0.14331188  1.00509527
   0.89765635  0.09462808  0.38271671
   0.65879600  0.39086279  0.13592066
   0.91792232  0.27250652  0.19401241
   0.65702684  0.16989376  0.50386850
   0.91371104  0.09530985  0.89369839
   0.61320484  0.42762975  0.62036479
   0.79023165  0.34174283  0.80195038
   0.65994415  0.64812744  0.00488105
   0.88921741  0.59093353  0.36921625
   0.57330205  0.89962075  0.12913535
   0.82310446  0.85853612  0.25725268
   0.65484322  0.66553423  0.49205511
   0.91149329  0.61989728  0.88285458
   0.64466998  0.92518655  0.65577577
   0.87539136  0.86253051  0.76133485
   0.13478645  0.04510649  0.11287841
   0.36708320  0.18324849  0.28977705
   0.17888540  0.31307627  0.04747143
   0.37911113  0.42373448  0.36387150
   0.55073290  0.33432119  0.22006757
   0.30989279  0.41303956  0.17962878
   0.31696661  0.10069414  0.47093210
   0.04692577  0.12593424  0.42371010
   0.12862080  0.05589594  0.59499737
   0.36824476  0.22061325  0.79957710
   0.18083643  0.30097377  0.52499398
   0.35623638  0.46389249  0.84088381
   0.47086501  0.37655448  0.67129326
   0.20400026  0.38475711  0.70495002
   0.34556147  0.13128631 -0.00487071
   0.03536786  0.15868784  0.95138087
   0.12025174  0.55899195  0.10450964
   0.35500098  0.68002380  0.28810777
   0.10341936  0.80884857  0.04345783
   0.40390361  0.92896054  0.34190019
   0.42230502  0.86364329  0.15761742
   0.17689354  0.86040645  0.23227928
   0.28299353  0.64606797  0.46506831
   0.04573136  0.61460017  0.38979074
   0.08764962  0.54423730  0.57791680
   0.36330295  0.71136849  0.80701435
   0.09192543  0.80935700  0.52485995
   0.38239507  0.96664639  0.84024852
   0.50469067  0.85784173  0.69129540
   0.22237838  0.85823825  0.70227304
   0.31326622  0.64463480 -0.01166560
   0.07281021  0.62797225  0.91253930
   0.58777656  0.05553484  0.09702994
   0.86628239  0.20316429  0.29669267
   0.65829833  0.30419276  0.03337744
   0.85440357  0.42915467  0.37130330
   0.04521940  0.36913137  0.21009217
   0.81089493  0.39435800  0.17015189
   0.80076141  0.14298878  0.46652188
   0.55688976  0.12738688  0.41325331
   0.62114332  0.06988090  0.59761600
   0.88990021  0.20964958  0.80995696
   0.64491534  0.33395672  0.52470357
   0.87117849  0.46550393  0.86250714
   0.96829516  0.31239276  0.63338300
   0.74363029  0.40187190  0.69136811
   0.80032768  0.07929539  0.98020101
   0.56333504  0.13613359  0.91109132
   0.62099729  0.54682529  0.09875358
   0.83310206  0.69454000  0.28465459
   0.62733203  0.80948068  0.03510926
   0.83914441  0.94127131  0.35935924
   0.92800658  0.88591717  0.16819139
   0.67076884  0.87817704  0.22103595
   0.80784822  0.62287157  0.47344476
   0.54470710  0.60754859  0.41298961
   0.59767504  0.58061968  0.58864133
   0.90204315  0.70418042  0.77930080
   0.64071742  0.82346899  0.46368783
   0.95037062  0.94333968  0.85759779
   0.95384340  0.88959778  0.66181025
   0.72717436  0.92311643  0.76177119
   0.82241119  0.66080746  0.98067584
   0.56440728  0.61101973  0.91499134
   0.72686507  0.81939192  0.61090529
   0.72270666  0.88888753  0.45141126
   0.92710199  0.19362882  0.10376436
   0.77928944  0.38993145  0.33011847
   0.38463962  0.05489841  0.65678857
   0.27091840  0.67974262  0.79775502
  -0.00674099  1.04172403  0.24963141
   0.17076093  1.01334254 -0.07320580
   0.66214436  0.31179883  0.85370962
   0.89321258  0.35068888  0.59342722
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985803   -0.239465    0.027748
    -0.000000    9.942648    0.108552
    -0.000000   -0.000000   13.806849
   Si   O    H 
    32    64    10
Direct configuration=   181
   0.17448156  0.13804400  0.01237523
   0.41047285  0.08673628  0.38046493
   0.15923533  0.40473649  0.13433213
   0.39153351  0.33870612  0.26369218
   0.16607901  0.14251255  0.49856245
   0.41164876  0.11800220  0.88557563
   0.11161458  0.38614021  0.60845323
   0.35245288  0.36272699  0.74931808
   0.15548592  0.65847482  0.00937625
   0.38865294  0.58897332  0.38403080
   0.08631766  0.89272972  0.14058709
   0.33945601  0.83906481  0.25632848
   0.12248065  0.64923038  0.48892029
   0.40801534  0.60613553  0.88810631
   0.10720200  0.89528492  0.62096404
   0.36904206  0.93319747  0.72560877
   0.65788836  0.14357610  1.00545623
   0.89881024  0.09374109  0.38346421
   0.65902130  0.39078179  0.13666775
   0.91932339  0.27257856  0.19474276
   0.65500650  0.17068946  0.50190237
   0.91467771  0.09594210  0.89417082
   0.61349999  0.42734241  0.62079317
   0.78823792  0.34266916  0.80145808
   0.65749118  0.64754938  0.00438298
   0.88845207  0.59178509  0.36939536
   0.57325081  0.90020398  0.12878888
   0.82198101  0.85818962  0.25809317
   0.65457966  0.66406409  0.49179424
   0.91173773  0.61911495  0.88262296
   0.64528099  0.92276912  0.65685417
   0.87530532  0.86284464  0.76097454
   0.13487615  0.04511978  0.11309800
   0.36900564  0.18422063  0.29020652
   0.17864474  0.31418903  0.04714064
   0.37744880  0.42502206  0.36517137
   0.55045107  0.33697186  0.22049397
   0.30871153  0.41097906  0.17992159
   0.31761718  0.09962938  0.47076710
   0.04871441  0.12389022  0.42304766
   0.12680370  0.05667544  0.59310910
   0.36811803  0.22129380  0.80108575
   0.18067624  0.30137555  0.52488207
   0.35694907  0.46325553  0.84114491
   0.47180115  0.37610794  0.67061762
   0.20477017  0.38397922  0.70648583
   0.34429000  0.13125090 -0.00561420
   0.03540027  0.16058618  0.95095609
   0.12039435  0.55946134  0.10472592
   0.35547130  0.68048576  0.28771923
   0.10429871  0.80585746  0.04395060
   0.40440706  0.92952773  0.34114241
   0.42267094  0.86131841  0.15775011
   0.17841748  0.86140225  0.23244552
   0.28234388  0.64800388  0.46560821
   0.04529255  0.61491080  0.39054089
   0.08638609  0.54449982  0.57729402
   0.36287124  0.71183626  0.80758055
   0.09083960  0.80864365  0.52371270
   0.38098626  0.96792224  0.84096955
   0.50554686  0.85858321  0.69075058
   0.22241181  0.85791391  0.70251651
   0.31428432  0.64695276 -0.01200351
   0.07351153  0.62782043  0.91236756
   0.58794658  0.05564476  0.09783869
   0.86545169  0.20191303  0.29664242
   0.65701300  0.30283798  0.03393048
   0.85505783  0.42825041  0.37139085
   0.04474119  0.37070315  0.21036926
   0.81244707  0.39297406  0.17051412
   0.79886722  0.14210424  0.46738422
   0.55673833  0.12771442  0.41249025
   0.62212581  0.07008743  0.59747915
   0.89014544  0.20968931  0.81000881
   0.64412977  0.33572116  0.52364551
   0.86996464  0.46850756  0.86343888
   0.96772134  0.31256357  0.63293350
   0.74411227  0.40092500  0.69097965
   0.80047681  0.07873709  0.98123954
   0.56341663  0.13629473  0.91065619
   0.62087363  0.54699740  0.09783153
   0.83274072  0.69462381  0.28469238
   0.62755921  0.81052867  0.03514047
   0.83947644  0.94059947  0.35937185
   0.92624176  0.88431497  0.16763563
   0.67014553  0.87803524  0.22037715
   0.80652398  0.62428261  0.47367080
   0.54333056  0.60592320  0.41249252
   0.59959962  0.58069116  0.58879681
   0.90341327  0.70389854  0.77939279
   0.63972002  0.82126742  0.46430016
   0.94917886  0.94276348  0.85700570
   0.95462637  0.88988434  0.66352087
   0.72844179  0.92211283  0.75967895
   0.82175848  0.65939668  0.98097476
   0.56335909  0.61312366  0.91555862
   0.72718265  0.81560459  0.61322765
   0.71557109  0.88933796  0.45003155
   0.91659566  0.19614224  0.10581017
   0.78254957  0.39044367  0.32648445
   0.38446110  0.05616016  0.65778327
   0.26716423  0.67156413  0.79924909
  -0.00251159  1.05642494  0.24915761
   0.17540840  1.01260482 -0.07370080
   0.66012214  0.32129519  0.85524299
   0.88727887  0.35781421  0.59514939
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984409   -0.235053    0.027137
    -0.000000    9.941334    0.113026
    -0.000000   -0.000000   13.807244
   Si   O    H 
    32    64    10
Direct configuration=   182
   0.17581172  0.13888151  0.01187356
   0.41035709  0.08822606  0.38109344
   0.15867346  0.40515929  0.13513637
   0.39095917  0.33835805  0.26383879
   0.16563883  0.14278349  0.49860703
   0.41192898  0.11936775  0.88579211
   0.11207865  0.38611133  0.60937740
   0.35095964  0.36336357  0.74970173
   0.15625856  0.65882170  0.00964820
   0.38831780  0.58876345  0.38366109
   0.08495338  0.89255581  0.14120608
   0.33924400  0.83924931  0.25616131
   0.12094955  0.64990590  0.48884150
   0.40849317  0.60618289  0.88772165
   0.10684884  0.89474011  0.62244410
   0.36972370  0.93501075  0.72588583
   0.65739196  0.14311195  1.00589927
   0.90056835  0.09290173  0.38420581
   0.65879456  0.39042624  0.13716221
   0.92101788  0.27221629  0.19524014
   0.65311751  0.17110284  0.49992196
   0.91545513  0.09589652  0.89455286
   0.61359356  0.42736180  0.62110303
   0.78651825  0.34356181  0.80111390
   0.65547361  0.64721316  0.00415542
   0.88727579  0.59229968  0.36993979
   0.57409778  0.90088028  0.12869319
   0.82100933  0.85813238  0.25877647
   0.65387031  0.66247259  0.49145945
   0.91209445  0.61860369  0.88285379
   0.64575519  0.92075734  0.65792534
   0.87586965  0.86292564  0.76092740
   0.13491084  0.04602337  0.11314582
   0.37031376  0.18532112  0.29092901
   0.17875533  0.31429611  0.04607982
   0.37574576  0.42652760  0.36614805
   0.55143216  0.33942206  0.22054846
   0.30703464  0.40919206  0.18031689
   0.31718793  0.09771117  0.47061017
   0.05040989  0.12168637  0.42272859
   0.12496985  0.05736708  0.59154472
   0.36834087  0.22192398  0.80253557
   0.18144163  0.30152243  0.52511716
   0.35736455  0.46312185  0.84133116
   0.47350847  0.37563572  0.66944699
   0.20522954  0.38393798  0.70777651
   0.34310938  0.13162254 -0.00685603
   0.03483026  0.16270118  0.95035532
   0.12019560  0.56010209  0.10448020
   0.35604976  0.68127589  0.28696846
   0.10475059  0.80334412  0.04431619
   0.40461919  0.93116480  0.33998466
   0.42279232  0.85948315  0.15824743
   0.18059045  0.86270303  0.23315507
   0.28168861  0.64924486  0.46592137
   0.04505923  0.61656669  0.39147752
   0.08542174  0.54483579  0.57734973
   0.36261189  0.71217009  0.80819240
   0.08948689  0.80792508  0.52294225
   0.37934127  0.96917486  0.84163995
   0.50547146  0.85971156  0.68957666
   0.22172695  0.85812290  0.70251087
   0.31469728  0.64855223 -0.01225464
   0.07431759  0.62815710  0.91212401
   0.58910945  0.05601495  0.09882787
   0.86460141  0.20087506  0.29658351
   0.65674085  0.30160188  0.03484204
   0.85653342  0.42721945  0.37121864
   0.04509405  0.37198767  0.21057936
   0.81356094  0.39227393  0.17108020
   0.79738781  0.14147011  0.46803798
   0.55693022  0.12794810  0.41194409
   0.62275572  0.07000793  0.59736110
   0.89031374  0.21033436  0.80908286
   0.64258602  0.33640835  0.52224488
   0.86822461  0.46966535  0.86390865
   0.96652938  0.31352655  0.63190738
   0.74492783  0.39969717  0.69009628
   0.80120007  0.07863127  0.98208117
   0.56376106  0.13679432  0.91010410
   0.62019589  0.54723583  0.09685689
   0.83329933  0.69505207  0.28465311
   0.62736213  0.81150607  0.03479560
   0.83970162  0.94021062  0.35942954
   0.92420464  0.88231808  0.16714127
   0.66983208  0.87757869  0.22012491
   0.80549345  0.62570829  0.47351640
   0.54282839  0.60463712  0.41198694
   0.60124051  0.58092685  0.58861891
   0.90424460  0.70363547  0.77951458
   0.63930691  0.82001185  0.46520436
   0.94812747  0.94262781  0.85599397
   0.95613667  0.89033242  0.66479055
   0.72906880  0.92074997  0.75794907
   0.82139432  0.65822064  0.98112595
   0.56190478  0.61418676  0.91662784
   0.72364924  0.81154257  0.61320757
   0.70605314  0.88653058  0.45114710
   0.91040047  0.19386130  0.10643236
   0.79132836  0.39515731  0.32538206
   0.38217859  0.05306921  0.66204607
   0.26692934  0.67216338  0.79910213
   0.00061671  1.07024324  0.24834073
   0.18122816  1.00956087 -0.07311454
   0.66014905  0.32618281  0.85699931
   0.89041843  0.36310733  0.59943702
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983339   -0.231096    0.026620
    -0.000000    9.940217    0.117222
    -0.000000   -0.000000   13.807263
   Si   O    H 
    32    64    10
Direct configuration=   183
   0.17663440  0.13946152  0.01149037
   0.41033751  0.08908245  0.38132795
   0.15838504  0.40630404  0.13590324
   0.39079500  0.33846201  0.26420511
   0.16565194  0.14277179  0.49892260
   0.41251813  0.12050851  0.88616502
   0.11209520  0.38670126  0.61007685
   0.34976624  0.36391385  0.74992963
   0.15733318  0.65906069  0.00979732
   0.38776937  0.58868848  0.38346152
   0.08320099  0.89260553  0.14168621
   0.33931281  0.83967557  0.25595682
   0.11958846  0.64997574  0.48867028
   0.40837014  0.60608732  0.88746424
   0.10632625  0.89402045  0.62391001
   0.37012463  0.93732431  0.72651840
   0.65711190  0.14250871  1.00636144
   0.90198516  0.09300057  0.38469646
   0.65820540  0.38990632  0.13770104
   0.92161082  0.27151250  0.19603846
   0.65086564  0.17146864  0.49804981
   0.91621937  0.09619741  0.89467752
   0.61341136  0.42745528  0.62112425
   0.78534804  0.34463527  0.80079471
   0.65370551  0.64742453  0.00442320
   0.88594290  0.59264992  0.37102635
   0.57524890  0.90091392  0.12839422
   0.82020114  0.85817642  0.25883149
   0.65282489  0.66144130  0.49140819
   0.91268916  0.61749479  0.88325047
   0.64573704  0.91925845  0.65851130
   0.87737836  0.86264992  0.76167357
   0.13585557  0.04738983  0.11276329
   0.37130190  0.18622743  0.29188899
   0.17898338  0.31405484  0.04512640
   0.37460786  0.42740770  0.36676617
   0.55242940  0.34208731  0.22007925
   0.30512771  0.40862721  0.18111002
   0.31649102  0.09677994  0.47098006
   0.05208352  0.11872097  0.42233558
   0.12321342  0.05759718  0.59036464
   0.36882986  0.22197452  0.80319380
   0.18247559  0.30155395  0.52565735
   0.35821101  0.46291384  0.84162271
   0.47488008  0.37486318  0.66859916
   0.20466198  0.38315762  0.70855492
   0.34199708  0.13204816 -0.00850507
   0.03457342  0.16524575  0.95065228
   0.12057506  0.56007246  0.10346906
   0.35621764  0.68126144  0.28582761
   0.10400896  0.80080133  0.04445752
   0.40493230  0.93291553  0.33904507
   0.42271729  0.85816172  0.15832162
   0.18262228  0.86375059  0.23424706
   0.28114743  0.64911307  0.46622564
   0.04513129  0.61735098  0.39229212
   0.08385606  0.54429097  0.57721006
   0.36116471  0.71281832  0.80855983
   0.08775207  0.80709155  0.52209158
   0.37721310  0.97126824  0.84254873
   0.50458323  0.86064084  0.68887022
   0.22141196  0.85836881  0.70228473
   0.31559219  0.64958716 -0.01254499
   0.07520103  0.62847652  0.91166604
   0.58997250  0.05672862  0.09911720
   0.86328670  0.20026538  0.29684830
   0.65580734  0.29945853  0.03598843
   0.85842361  0.42667652  0.37065031
   0.04587689  0.37255027  0.21123173
   0.81445295  0.39303207  0.17138453
   0.79668887  0.14123590  0.46825549
   0.55660111  0.12759598  0.41142350
   0.62324837  0.07039193  0.59716461
   0.88999681  0.21202432  0.80768769
   0.64111645  0.33685383  0.52107211
   0.86606409  0.46971241  0.86438922
   0.96513750  0.31419951  0.63116476
   0.74513982  0.39872782  0.68883883
   0.80186467  0.07856139  0.98232517
   0.56429948  0.13756147  0.90989318
   0.62042772  0.54687125  0.09632176
   0.83439321  0.69537263  0.28477703
   0.62715354  0.81281572  0.03436153
   0.84012132  0.93871155  0.35968037
   0.92163445  0.88128647  0.16673867
   0.67021601  0.87765769  0.22013514
   0.80548178  0.62699046  0.47325122
   0.54227353  0.60377758  0.41190312
   0.60333862  0.58090056  0.58841998
   0.90451351  0.70271504  0.78032457
   0.63872862  0.81818578  0.46640471
   0.94712028  0.94238328  0.85509086
   0.95779214  0.89076285  0.66595353
   0.72873456  0.91921398  0.75670104
   0.82039411  0.65638107  0.98073621
   0.56028471  0.61608684  0.91720013
   0.71812406  0.81415799  0.61180464
   0.70310393  0.88833118  0.45318228
   0.90583834  0.18892127  0.10515771
   0.79481730  0.39788718  0.32498841
   0.37948734  0.05255849  0.66467322
   0.26824879  0.68028065  0.79594891
   0.00437385  1.08590728  0.24870512
   0.18355089  1.00532849 -0.06852337
   0.66043455  0.32596368  0.85943053
   0.90166485  0.36533740  0.60817091
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982607   -0.226838    0.026286
    -0.000000    9.939014    0.121642
    -0.000000   -0.000000   13.807222
   Si   O    H 
    32    64    10
Direct configuration=   184
   0.17705221  0.14039543  0.01155912
   0.41005009  0.08949673  0.38075597
   0.15850097  0.40759161  0.13639595
   0.39068600  0.33920947  0.26442521
   0.16584931  0.14368658  0.49987957
   0.41331605  0.12122366  0.88638182
   0.11191984  0.38715596  0.61074398
   0.34875180  0.36471827  0.75004049
   0.15836618  0.65930165  0.00975807
   0.38747567  0.58955402  0.38318651
   0.08224776  0.89254465  0.14219554
   0.33984148  0.84018743  0.25651680
   0.11877971  0.65047861  0.48926928
   0.40804390  0.60580627  0.88703817
   0.10592611  0.89369775  0.62468114
   0.37026065  0.93887257  0.72747527
   0.65679543  0.14112064  1.00700488
   0.90297579  0.09348603  0.38543435
   0.65724596  0.38877800  0.13782129
   0.92211701  0.27155403  0.19651555
   0.64809074  0.17201667  0.49644967
   0.91714345  0.09610437  0.89464527
   0.61341096  0.42648245  0.62083267
   0.78505923  0.34602473  0.80058229
   0.65264284  0.64830367  0.00524943
   0.88469939  0.59352082  0.37238623
   0.57618896  0.90093184  0.12798546
   0.81985402  0.85755941  0.25849666
   0.65132579  0.66061050  0.49132971
   0.91303783  0.61686205  0.88387539
   0.64604880  0.91781635  0.65869261
   0.87875965  0.86261686  0.76267223
   0.13668889  0.04867101  0.11281187
   0.37170087  0.18656971  0.29307439
   0.17875175  0.31224740  0.04396999
   0.37379948  0.42786651  0.36722037
   0.55307322  0.34445151  0.22016100
   0.30376527  0.40823128  0.18204971
   0.31615923  0.09657282  0.47186994
   0.05406023  0.11639495  0.42104962
   0.12246494  0.05712244  0.58941661
   0.36855736  0.22164299  0.80367851
   0.18323002  0.30048711  0.52598926
   0.35946284  0.46337249  0.84222248
   0.47516748  0.37362244  0.66814426
   0.20350039  0.38333826  0.70893882
   0.34027773  0.13342270 -0.00943600
   0.03494773  0.16749336  0.95157738
   0.12105930  0.55970243  0.10232849
   0.35589357  0.68058479  0.28474840
   0.10336938  0.79942263  0.04503548
   0.40529597  0.93508574  0.33819487
   0.42336542  0.85759613  0.15773730
   0.18374693  0.86398987  0.23529667
   0.28106300  0.64843461  0.46637224
   0.04429108  0.61766271  0.39274356
   0.08249792  0.54338321  0.57770823
   0.35898030  0.71323959  0.80900352
   0.08657111  0.80704285  0.52199121
   0.37525430  0.97335162  0.84390248
   0.50299800  0.86187607  0.68867362
   0.22016910  0.85864048  0.70256007
   0.31687838  0.65083973 -0.01316054
   0.07578567  0.62964453  0.91141223
   0.59086641  0.05756200  0.09938242
   0.86202108  0.19938746  0.29675106
   0.65520045  0.29829497  0.03688944
   0.86065912  0.42703053  0.37000538
   0.04620231  0.37319115  0.21233569
   0.81525247  0.39334327  0.17199235
   0.79762205  0.14067624  0.46836343
   0.55618788  0.12782722  0.41087094
   0.62462320  0.07105680  0.59683986
   0.88858569  0.21311247  0.80706317
   0.63862406  0.33651427  0.52014505
   0.86452877  0.46863855  0.86462481
   0.96510124  0.31381375  0.63040453
   0.74546667  0.39749467  0.68793866
   0.80284165  0.07792417  0.98192295
   0.56462443  0.13728619  0.90979030
   0.62102481  0.54575678  0.09572912
   0.83498881  0.69492929  0.28528722
   0.62663593  0.81370649  0.03410951
   0.84028060  0.93779630  0.36058402
   0.92010783  0.88032672  0.16688725
   0.67066230  0.87790970  0.22080088
   0.80584674  0.62798552  0.47276624
   0.54122832  0.60191161  0.41210703
   0.60548302  0.58145413  0.58838258
   0.90395993  0.70165857  0.78088251
   0.63704727  0.81675984  0.46684165
   0.94578127  0.94246513  0.85405815
   0.95935173  0.89097675  0.66748761
   0.72874006  0.91815624  0.75571409
   0.81896944  0.65430635  0.98042273
   0.55833664  0.61784009  0.91710935
   0.71535133  0.81563583  0.60975375
   0.70520744  0.88972816  0.45418686
   0.90385271  0.18466555  0.10654402
   0.79338431  0.39659990  0.32044986
   0.37814253  0.05209911  0.66694098
   0.26844264  0.69121319  0.79202411
   0.01220957  1.10109844  0.24882166
   0.18713895  1.00292180 -0.06231449
   0.66759753  0.32732570  0.86102896
   0.89352237  0.38271693  0.61015576
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981724   -0.222290    0.026206
    -0.000000    9.937760    0.126090
    -0.000000   -0.000000   13.807240
   Si   O    H 
    32    64    10
Direct configuration=   185
   0.17723987  0.14166582  0.01206596
   0.40928471  0.08894838  0.37962356
   0.15929124  0.40863136  0.13652875
   0.39141075  0.33982880  0.26437694
   0.16673298  0.14458031  0.50081248
   0.41365073  0.12187018  0.88644469
   0.11165706  0.38741224  0.61160991
   0.34865207  0.36488986  0.75019211
   0.15916252  0.65954740  0.00971034
   0.38775750  0.59055365  0.38241587
   0.08154727  0.89265187  0.14260672
   0.33960090  0.84032250  0.25699500
   0.11811061  0.65136187  0.49002511
   0.40760852  0.60582742  0.88699738
   0.10499695  0.89344004  0.62501149
   0.36970020  0.93990129  0.72781480
   0.65683069  0.13973027  1.00743237
   0.90362468  0.09409303  0.38612254
   0.65708445  0.38836618  0.13740238
   0.92257856  0.27183561  0.19681256
   0.64512264  0.17233138  0.49514051
   0.91798625  0.09684851  0.89501954
   0.61332940  0.42479411  0.62070182
   0.78500374  0.34707843  0.80044256
   0.65168929  0.64966403  0.00636931
   0.88328131  0.59409438  0.37355512
   0.57679224  0.90120814  0.12784014
   0.82011450  0.85678750  0.25803765
   0.64912605  0.65994913  0.49137677
   0.91356182  0.61673929  0.88422086
   0.64631757  0.91665587  0.65856596
   0.87978669  0.86228737  0.76383674
   0.13654439  0.05007861  0.11244181
   0.37136036  0.18702766  0.29385406
   0.17831877  0.31064400  0.04267267
   0.37385029  0.42794704  0.36798828
   0.55282154  0.34655031  0.21981930
   0.30256102  0.40753243  0.18307006
   0.31516719  0.09675783  0.47259506
   0.05624069  0.11391893  0.41967448
   0.12154132  0.05696987  0.58881508
   0.36768898  0.22176957  0.80452036
   0.18362409  0.29919797  0.52636412
   0.36127773  0.46299233  0.84296177
   0.47396903  0.37137691  0.66831586
   0.20243512  0.38339059  0.70945035
   0.33830698  0.13491075 -0.01054787
   0.03614542  0.17036929  0.95279671
   0.12126881  0.55979317  0.10128065
   0.35619003  0.68029792  0.28397218
   0.10306329  0.79830478  0.04543518
   0.40510606  0.93703525  0.33731391
   0.42467348  0.85665447  0.15701838
   0.18376080  0.86491452  0.23642203
   0.28101601  0.64773117  0.46631552
   0.04366321  0.61781279  0.39279502
   0.08100779  0.54289435  0.57837304
   0.35766694  0.71408306  0.80902375
   0.08592729  0.80674294  0.52253272
   0.37345283  0.97539102  0.84483870
   0.50170257  0.86234352  0.68933585
   0.21869426  0.85916943  0.70331024
   0.31814253  0.65260455 -0.01408944
   0.07549805  0.63024488  0.91123106
   0.59148755  0.05837880  0.09944003
   0.86077526  0.19887318  0.29682492
   0.65497139  0.29793642  0.03808462
   0.86217948  0.42743818  0.36899208
   0.04629074  0.37371204  0.21384748
   0.81480040  0.39305604  0.17235661
   0.79951587  0.14011622  0.46804873
   0.55592740  0.12780090  0.41065314
   0.62653972  0.07157977  0.59651742
   0.88676733  0.21413542  0.80658138
   0.63679599  0.33690513  0.51955350
   0.86201080  0.46691294  0.86476418
   0.96533447  0.31441805  0.62979542
   0.74563561  0.39685252  0.68726091
   0.80313871  0.07729882  0.98171453
   0.56592110  0.13658948  0.90975254
   0.62171731  0.54489985  0.09546685
   0.83570047  0.69494377  0.28535697
   0.62674555  0.81397148  0.03449661
   0.84085522  0.93729125  0.36149950
   0.91874627  0.87985082  0.16684098
   0.67050829  0.87771975  0.22135629
   0.80611338  0.62901751  0.47195520
   0.54071762  0.60051492  0.41200012
   0.60788648  0.58160901  0.58783947
   0.90349244  0.70205424  0.78166273
   0.63511164  0.81637719  0.46746872
   0.94395324  0.94250517  0.85346330
   0.96062236  0.89173535  0.66867883
   0.72944317  0.91813707  0.75477654
   0.81739426  0.65264726  0.98015914
   0.55719541  0.61956135  0.91591749
   0.71308050  0.81594949  0.60457228
   0.70717790  0.88790087  0.45544529
   0.90305871  0.17881048  0.10915767
   0.79382496  0.39756862  0.31943908
   0.37848207  0.05668220  0.66620680
   0.26458535  0.70131327  0.78613304
   0.01983224  1.11282552  0.24639828
   0.18833128  1.00096508 -0.05717942
   0.67230453  0.32378809  0.86318686
   0.89267362  0.38874302  0.61484234
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981390   -0.217646    0.026058
    -0.000000    9.936505    0.130329
    -0.000000   -0.000000   13.807150
   Si   O    H 
    32    64    10
Direct configuration=   186
   0.17706323  0.14385490  0.01258996
   0.40876838  0.08861030  0.37851389
   0.15987721  0.40952322  0.13641049
   0.39311357  0.34022787  0.26449439
   0.16797754  0.14517525  0.50166678
   0.41356425  0.12246016  0.88667346
   0.11154054  0.38787423  0.61277532
   0.34888696  0.36530636  0.75068730
   0.16014721  0.66029565  0.00957535
   0.38756873  0.59134158  0.38193604
   0.08025467  0.89249209  0.14303222
   0.33887264  0.84009655  0.25691388
   0.11714776  0.65158851  0.49114279
   0.40621015  0.60666163  0.88712535
   0.10408774  0.89363111  0.62517168
   0.36899445  0.93980722  0.72859264
   0.65690563  0.13894394  1.00795196
   0.90380777  0.09464237  0.38649137
   0.65805320  0.38903078  0.13754628
   0.92292336  0.27199527  0.19718428
   0.64263465  0.17241670  0.49454594
   0.91911873  0.09759630  0.89501503
   0.61408503  0.42332612  0.62073872
   0.78534928  0.34771964  0.80033379
   0.65083598  0.65098781  0.00783275
   0.88226400  0.59409296  0.37461364
   0.57730128  0.90099622  0.12806501
   0.82003172  0.85610235  0.25773549
   0.64675329  0.65966863  0.49093137
   0.91366322  0.61647859  0.88459318
   0.64648373  0.91597879  0.65792792
   0.88090697  0.86199202  0.76461525
   0.13668150  0.05077821  0.11225067
   0.37121633  0.18791046  0.29415549
   0.17805112  0.30879562  0.04183401
   0.37360008  0.42827982  0.36806852
   0.55235238  0.34911824  0.21983819
   0.30186550  0.40684783  0.18450160
   0.31432829  0.09791780  0.47378092
   0.05739324  0.11157703  0.41818712
   0.12044441  0.05625600  0.58863943
   0.36689682  0.22269526  0.80527324
   0.18403703  0.29887401  0.52748958
   0.36168322  0.46235097  0.84348077
   0.47211739  0.36916901  0.66918449
   0.20168126  0.38371021  0.70919422
   0.33680446  0.13697422 -0.01186980
   0.03724993  0.17350969  0.95403665
   0.12147152  0.55932153  0.10020628
   0.35645761  0.67979680  0.28305628
   0.10182750  0.79890713  0.04625346
   0.40455765  0.93925131  0.33728082
   0.42515584  0.85603510  0.15597311
   0.18427598  0.86474926  0.23719876
   0.28057725  0.64661915  0.46604820
   0.04243247  0.61761248  0.39274859
   0.08000744  0.54352230  0.57867169
   0.35665491  0.71455798  0.80878305
   0.08534144  0.80653138  0.52344562
   0.37199110  0.97691177  0.84531217
   0.50019633  0.86329547  0.69015422
   0.21728577  0.86009377  0.70441564
   0.31902688  0.65395685 -0.01526603
   0.07558689  0.63098587  0.91007166
   0.59212581  0.05964067  0.09962013
   0.85935088  0.19754850  0.29709007
   0.65483562  0.29706740  0.03945195
   0.86321673  0.42806006  0.36749703
   0.04712450  0.37395383  0.21565183
   0.81432976  0.39183024  0.17271643
   0.80115684  0.13920118  0.46813974
   0.55574560  0.12770238  0.41027950
   0.62815332  0.07208515  0.59609375
   0.88482896  0.21549637  0.80594251
   0.63515987  0.33680233  0.51904223
   0.86039703  0.46411299  0.86453666
   0.96484492  0.31579573  0.62926123
   0.74580803  0.39690695  0.68673132
   0.80391993  0.07667086  0.98138185
   0.56741590  0.13593866  0.90959310
   0.62254714  0.54415456  0.09510527
   0.83613020  0.69459227  0.28563353
   0.62823700  0.81445756  0.03450525
   0.84220469  0.93755888  0.36219905
   0.91761210  0.87975424  0.16618269
   0.67058667  0.87699481  0.22178678
   0.80579133  0.63022381  0.47131359
   0.54076303  0.59932566  0.41224025
   0.61006713  0.58135478  0.58739063
   0.90339256  0.70230955  0.78298631
   0.63243749  0.81671605  0.46745782
   0.94263490  0.94360243  0.85371257
   0.96136888  0.89253126  0.66953372
   0.73000152  0.91829226  0.75394511
   0.81585151  0.65053278  0.98012455
   0.55661902  0.62155054  0.91429457
   0.71125562  0.81605702  0.59836897
   0.70889082  0.88149488  0.45876647
   0.90445395  0.17701779  0.11235700
   0.79831409  0.39872077  0.32362975
   0.37858103  0.06411998  0.66295820
   0.26258936  0.71282558  0.78248345
   0.03092655  1.12255519  0.24466624
   0.18418960  0.99903875 -0.05491015
   0.67191709  0.31535049  0.86559799
   0.90037659  0.38669834  0.62001633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981241   -0.213305    0.025939
    -0.000000    9.935489    0.134729
    -0.000000   -0.000000   13.807266
   Si   O    H 
    32    64    10
Direct configuration=   187
   0.17708866  0.14679640  0.01341940
   0.40857350  0.08843317  0.37726583
   0.15989409  0.41052309  0.13594057
   0.39494847  0.34132142  0.26474576
   0.16951964  0.14559465  0.50221672
   0.41326620  0.12267516  0.88672152
   0.11132347  0.38770199  0.61367702
   0.34970834  0.36504545  0.75109331
   0.16041928  0.66063819  0.00933143
   0.38708255  0.59250346  0.38138449
   0.07915045  0.89244015  0.14346356
   0.33873361  0.84005674  0.25737168
   0.11670001  0.65140248  0.49220808
   0.40416976  0.60793258  0.88726488
   0.10333370  0.89425228  0.62522485
   0.36729667  0.94030275  0.72962563
   0.65727021  0.13894239  1.00810019
   0.90290598  0.09513206  0.38657994
   0.65908221  0.38970203  0.13754393
   0.92303415  0.27185543  0.19730937
   0.64166926  0.17253184  0.49445164
   0.91945058  0.09851971  0.89465049
   0.61480828  0.42203651  0.62051048
   0.78586352  0.34798645  0.79987327
   0.64986525  0.65261335  0.00911796
   0.88203488  0.59458683  0.37516163
   0.57792078  0.90089709  0.12799814
   0.81944639  0.85560158  0.25758212
   0.64471761  0.65952467  0.49021395
   0.91359209  0.61660929  0.88503107
   0.64630113  0.91609737  0.65671758
   0.88181850  0.86155644  0.76503680
   0.13636167  0.05159769  0.11147278
   0.37095354  0.18907399  0.29470754
   0.17665696  0.30667476  0.04114870
   0.37315217  0.42873145  0.36817670
   0.55129542  0.35178361  0.22017816
   0.30206680  0.40596639  0.18582869
   0.31402298  0.09861835  0.47503854
   0.05849615  0.10878224  0.41674790
   0.11993137  0.05527559  0.58924273
   0.36617185  0.22462458  0.80577467
   0.18447775  0.29939319  0.52864986
   0.36163020  0.46272877  0.84387137
   0.47051953  0.36747556  0.66953978
   0.20180446  0.38372164  0.70856639
   0.33568041  0.13932829 -0.01300714
   0.03868221  0.17611158  0.95489736
   0.12224366  0.55966049  0.09851371
   0.35669345  0.67926084  0.28216889
   0.10058919  0.80001739  0.04731307
   0.40404542  0.94105657  0.33723718
   0.42537015  0.85562674  0.15553540
   0.18410365  0.86464458  0.23847142
   0.27987560  0.64478947  0.46570555
   0.04062835  0.61715337  0.39293552
   0.07950773  0.54309546  0.57859745
   0.35474937  0.71620294  0.80824072
   0.08515128  0.80599622  0.52353735
   0.37086230  0.97756412  0.84573571
   0.49837161  0.86465144  0.69104813
   0.21692853  0.86067962  0.70496336
   0.31970474  0.65501645 -0.01585906
   0.07493179  0.63159235  0.90967847
   0.59261270  0.06018245  0.09980353
   0.85775483  0.19591725  0.29736203
   0.65497632  0.29598131  0.04071322
   0.86472903  0.42950237  0.36573830
   0.04817016  0.37409724  0.21705379
   0.81375218  0.39036509  0.17283154
   0.80244768  0.13842081  0.46862221
   0.55659929  0.12744204  0.40941858
   0.62933871  0.07193430  0.59520723
   0.88222800  0.21601227  0.80570013
   0.63433909  0.33604434  0.51860818
   0.85845813  0.46165371  0.86441110
   0.96499233  0.31648599  0.62912908
   0.74556216  0.39743599  0.68720907
   0.80459508  0.07622179  0.98159140
   0.56848355  0.13472207  0.90980689
   0.62274537  0.54381068  0.09501157
   0.83644405  0.69415975  0.28618459
   0.62918532  0.81428639  0.03431427
   0.84360464  0.93761773  0.36272755
   0.91750628  0.87969939  0.16499488
   0.67076099  0.87656332  0.22231261
   0.80491632  0.63146526  0.47090378
   0.54074625  0.59786362  0.41258905
   0.61154519  0.58159482  0.58700943
   0.90304429  0.70292614  0.78481712
   0.62970937  0.81736879  0.46803396
   0.94168517  0.94514151  0.85407388
   0.96149369  0.89284047  0.67010446
   0.73057484  0.91794205  0.75375491
   0.81469316  0.64837947  0.98005134
   0.55653453  0.62368951  0.91340433
   0.71081686  0.81957739  0.59545922
   0.70580885  0.87382631  0.46347717
   0.90597941  0.17574071  0.11526722
   0.79477247  0.39652983  0.32489638
   0.37879506  0.06737628  0.66204256
   0.26602781  0.72625782  0.78107035
   0.04188964  1.12901348  0.24156625
   0.17960704  0.99734372 -0.05362266
   0.66854641  0.30519208  0.86610332
   0.90106578  0.38677438  0.62099981
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980818   -0.208685    0.025485
    -0.000000    9.934217    0.139011
    -0.000000   -0.000000   13.807461
   Si   O    H 
    32    64    10
Direct configuration=   188
   0.17717091  0.14937200  0.01406474
   0.40793612  0.08823017  0.37621025
   0.15973522  0.41113741  0.13549061
   0.39716801  0.34272462  0.26526167
   0.17084209  0.14587007  0.50247324
   0.41276657  0.12219908  0.88673804
   0.11140013  0.38785542  0.61424552
   0.35096364  0.36438335  0.75161390
   0.16076501  0.66054232  0.00926584
   0.38593835  0.59337435  0.38075744
   0.07859888  0.89256241  0.14420075
   0.33879769  0.84025958  0.25776301
   0.11615961  0.65098446  0.49294598
   0.40187254  0.60908190  0.88776344
   0.10243285  0.89506656  0.62547122
   0.36573623  0.94078138  0.73040706
   0.65743312  0.13911176  1.00809994
   0.90198747  0.09520995  0.38701903
   0.65995921  0.39011508  0.13723984
   0.92367133  0.27119787  0.19785597
   0.64100155  0.17275243  0.49452306
   0.91948116  0.09935158  0.89420774
   0.61567103  0.42136242  0.62060490
   0.78637298  0.34779088  0.79964079
   0.64977741  0.65479823  0.01013354
   0.88164984  0.59504976  0.37546108
   0.57852179  0.90050656  0.12774286
   0.81895489  0.85507606  0.25746444
   0.64301836  0.65943859  0.48905610
   0.91299728  0.61633523  0.88549803
   0.64541377  0.91659821  0.65554425
   0.88284979  0.86078399  0.76549850
   0.13566823  0.05208999  0.11083977
   0.37040508  0.19038779  0.29478666
   0.17546461  0.30535910  0.04120397
   0.37221444  0.42897226  0.36822628
   0.55015417  0.35339283  0.22066044
   0.30320702  0.40542828  0.18770934
   0.31385706  0.10031301  0.47608742
   0.05854710  0.10681077  0.41521701
   0.12002572  0.05359922  0.58965057
   0.36536903  0.22581868  0.80636650
   0.18504573  0.30048266  0.53029527
   0.36182137  0.46372301  0.84431647
   0.46858998  0.36636329  0.66940778
   0.20135331  0.38365639  0.70773442
   0.33483389  0.14137730 -0.01448449
   0.03937263  0.17823811  0.95513095
   0.12205206  0.55993654  0.09702396
   0.35684843  0.67890833  0.28200559
   0.09958597  0.80147658  0.04809752
   0.40367291  0.94234866  0.33706199
   0.42518684  0.85560828  0.15504927
   0.18391250  0.86410168  0.23973975
   0.27931332  0.64238365  0.46474599
   0.03936397  0.61620456  0.39323204
   0.07943612  0.54256887  0.57835821
   0.35334307  0.71825191  0.80761908
   0.08491967  0.80580755  0.52402151
   0.36994588  0.97833178  0.84593284
   0.49665093  0.86567081  0.69159080
   0.21648063  0.86144286  0.70530339
   0.32014060  0.65595263 -0.01627207
   0.07362625  0.63140221  0.90901527
   0.59283257  0.06079808  0.10018102
   0.85629514  0.19506954  0.29792529
   0.65441985  0.29516437  0.04170271
   0.86586986  0.43097852  0.36406855
   0.04890543  0.37437543  0.21840655
   0.81336848  0.38936455  0.17310412
   0.80343747  0.13829417  0.46936292
   0.55669193  0.12632812  0.40773016
   0.63030342  0.07178503  0.59401110
   0.87988580  0.21509526  0.80593364
   0.63455412  0.33518398  0.51796391
   0.85749149  0.46003214  0.86447839
   0.96566301  0.31684004  0.62923346
   0.74534458  0.39794460  0.68777564
   0.80560193  0.07555711  0.98180099
   0.56928617  0.13320702  0.91045072
   0.62216945  0.54359925  0.09470757
   0.83707687  0.69329654  0.28643864
   0.63021308  0.81354413  0.03394132
   0.84606431  0.93788923  0.36298165
   0.91734876  0.87910250  0.16399461
   0.67085232  0.87711510  0.22274403
   0.80389985  0.63193222  0.47066631
   0.54099791  0.59723800  0.41293978
   0.61258539  0.58155180  0.58713481
   0.90258793  0.70368561  0.78642787
   0.62671018  0.81755065  0.46807300
   0.94056607  0.94714147  0.85416774
   0.96050807  0.89285455  0.67058177
   0.73120834  0.91787302  0.75400067
   0.81428128  0.64683691  0.97982383
   0.55685072  0.62609229  0.91318645
   0.71309673  0.82960632  0.59577470
   0.70838431  0.87220693  0.46796041
   0.90888392  0.17845218  0.11702954
   0.79152968  0.39712550  0.32442873
   0.37630317  0.06162305  0.66602410
   0.26664121  0.74056265  0.78004270
   0.05550335  1.13227829  0.23750463
   0.17621893  0.99540902 -0.05216502
   0.66636518  0.29870221  0.86016955
   0.89631003  0.39048253  0.62058935
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980588   -0.204126    0.025670
    -0.000000    9.932923    0.142839
    -0.000000   -0.000000   13.806789
   Si   O    H 
    32    64    10
Direct configuration=   189
   0.17692211  0.15138442  0.01470559
   0.40744800  0.08752195  0.37568138
   0.15955706  0.41123488  0.13517175
   0.39921543  0.34431986  0.26627836
   0.17114934  0.14584848  0.50241645
   0.41253268  0.12167427  0.88667661
   0.11108799  0.38791661  0.61412641
   0.35182020  0.36328002  0.75217377
   0.16054678  0.66026161  0.00955699
   0.38481067  0.59421848  0.38051058
   0.07835735  0.89297546  0.14486326
   0.33919208  0.84013516  0.25821947
   0.11599731  0.65060473  0.49344211
   0.40016987  0.60953311  0.88806454
   0.10182008  0.89624599  0.62547112
   0.36412416  0.94136912  0.73078516
   0.65735233  0.13908979  1.00790137
   0.90032278  0.09438673  0.38756461
   0.66076318  0.39062371  0.13674657
   0.92412314  0.27107517  0.19818191
   0.64071578  0.17281862  0.49502786
   0.91987097  0.10095406  0.89377167
   0.61665667  0.42137620  0.62049699
   0.78682705  0.34748481  0.79975861
   0.64944871  0.65678483  0.01095372
   0.88148860  0.59540200  0.37556615
   0.57957920  0.89966673  0.12724225
   0.81866217  0.85425384  0.25770998
   0.64154376  0.65879714  0.48786723
   0.91231656  0.61572409  0.88670611
   0.64435602  0.91817177  0.65480505
   0.88316197  0.85946737  0.76609890
   0.13450426  0.05227839  0.11009917
   0.36943676  0.19151048  0.29469329
   0.17454206  0.30432973  0.04163837
   0.37196085  0.42884616  0.36832721
   0.54870656  0.35471179  0.22136763
   0.30375441  0.40475189  0.18945187
   0.31426039  0.10138602  0.47601555
   0.05855938  0.10467131  0.41358215
   0.11965479  0.05156533  0.59039242
   0.36482983  0.22668148  0.80675366
   0.18621056  0.30216463  0.53168577
   0.36229318  0.46423083  0.84504689
   0.46712654  0.36610934  0.66899676
   0.20108629  0.38305096  0.70687288
   0.33437465  0.14344117 -0.01535410
   0.03954959  0.17940689  0.95512575
   0.12184705  0.56008901  0.09607558
   0.35726590  0.67881256  0.28185053
   0.09902741  0.80307577  0.04873720
   0.40285788  0.94365280  0.33664873
   0.42505560  0.85623484  0.15439552
   0.18325789  0.86239174  0.24012995
   0.27865301  0.64076810  0.46358081
   0.03918640  0.61534748  0.39400146
   0.07905120  0.54173092  0.57758768
   0.35312516  0.72031496  0.80679767
   0.08544002  0.80578307  0.52489169
   0.36926646  0.97875928  0.84630737
   0.49598604  0.86743113  0.69231754
   0.21581284  0.86213270  0.70552483
   0.32073715  0.65738094 -0.01576459
   0.07274482  0.63123679  0.90897321
   0.59314563  0.06152030  0.10070560
   0.85444195  0.19464769  0.29779510
   0.65390577  0.29502441  0.04271651
   0.86659309  0.43201612  0.36261279
   0.04917957  0.37390112  0.21945143
   0.81352335  0.38870631  0.17319471
   0.80422316  0.13845436  0.47107297
   0.55768022  0.12578879  0.40646638
   0.63080398  0.07122442  0.59245862
   0.87832577  0.21386105  0.80642287
   0.63463852  0.33421662  0.51774235
   0.85715872  0.45876207  0.86477077
   0.96629874  0.31821842  0.62916612
   0.74490844  0.39854862  0.68826618
   0.80566014  0.07460111  0.98212899
   0.56980500  0.13167061  0.91128960
   0.62084624  0.54349140  0.09420971
   0.83762000  0.69309082  0.28697912
   0.63081600  0.81288076  0.03340893
   0.84909149  0.93781739  0.36284081
   0.91723855  0.87965560  0.16320667
   0.67171690  0.87833527  0.22375828
   0.80328505  0.63140730  0.47068605
   0.54111599  0.59640440  0.41296363
   0.61395405  0.58067845  0.58711593
   0.90177113  0.70383735  0.78796300
   0.62472826  0.81715719  0.46781722
   0.93974552  0.94939250  0.85442172
   0.95859044  0.89368831  0.67097086
   0.73287399  0.91761646  0.75444753
   0.81428559  0.64599101  0.97928874
   0.55711122  0.62808080  0.91344745
   0.72075015  0.83488565  0.59428400
   0.71295050  0.87321253  0.47065539
   0.91119940  0.17798244  0.11630857
   0.78922251  0.39635113  0.32396129
   0.37348360  0.05632793  0.67064161
   0.26614570  0.74963666  0.77792974
   0.06944293  1.13531620  0.23166834
   0.17141189  0.99170203 -0.05002545
   0.66341404  0.29438348  0.85233846
   0.89532331  0.38669143  0.61895484
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980260   -0.199962    0.026096
    -0.000000    9.931716    0.147004
    -0.000000   -0.000000   13.806161
   Si   O    H 
    32    64    10
Direct configuration=   190
   0.17683100  0.15255323  0.01518138
   0.40645906  0.08679859  0.37480839
   0.15956990  0.41075303  0.13472144
   0.40135016  0.34622773  0.26741042
   0.17047770  0.14592299  0.50249809
   0.41237333  0.12146737  0.88679044
   0.11052080  0.38858941  0.61367313
   0.35322911  0.36279945  0.75246609
   0.16011829  0.65947076  0.00997642
   0.38369625  0.59489821  0.38040420
   0.07815691  0.89301320  0.14544820
   0.33963374  0.84025215  0.25837758
   0.11583840  0.65092130  0.49389986
   0.39845119  0.60981620  0.88817285
   0.10117137  0.89742982  0.62569999
   0.36265387  0.94174000  0.73106505
   0.65758423  0.13947198  1.00786626
   0.89928644  0.09372592  0.38761771
   0.66113073  0.39110897  0.13603768
   0.92405417  0.27112013  0.19904448
   0.64124335  0.17294332  0.49584402
   0.91995630  0.10247231  0.89275564
   0.61659655  0.42103006  0.62053595
   0.78638259  0.34725032  0.80024561
   0.64916079  0.65844549  0.01134509
   0.88154357  0.59524948  0.37597825
   0.58037718  0.89915598  0.12683465
   0.81914467  0.85384091  0.25776648
   0.64045983  0.65812896  0.48639795
   0.91147183  0.61497225  0.88832700
   0.64368865  0.91977936  0.65382621
   0.88295097  0.85808497  0.76634774
   0.13344981  0.05163598  0.10968247
   0.36871550  0.19198330  0.29451432
   0.17384143  0.30418913  0.04269454
   0.37152642  0.42958554  0.36782266
   0.54822636  0.35579745  0.22182276
   0.30442863  0.40479133  0.19037104
   0.31601778  0.10229408  0.47598291
   0.05806447  0.10330635  0.41225350
   0.11896232  0.05044387  0.59057878
   0.36369957  0.22802755  0.80704897
   0.18745284  0.30383357  0.53287352
   0.36307288  0.46413602  0.84534178
   0.46652230  0.36650103  0.66871603
   0.20098942  0.38195953  0.70611869
   0.33462865  0.14566208 -0.01532918
   0.03955705  0.18039895  0.95464149
   0.12221129  0.56024782  0.09574458
   0.35838216  0.67859460  0.28187071
   0.09911493  0.80438918  0.04945777
   0.40131613  0.94474842  0.33579428
   0.42476011  0.85757207  0.15376099
   0.18238921  0.86073267  0.24047488
   0.27848646  0.63988982  0.46178969
   0.04001429  0.61523764  0.39474613
   0.07824115  0.54096553  0.57693154
   0.35337702  0.72174085  0.80616652
   0.08634399  0.80465624  0.52566283
   0.36842875  0.97858884  0.84612752
   0.49483979  0.86920383  0.69307700
   0.21478460  0.86345944  0.70580091
   0.32077796  0.65940222 -0.01474169
   0.07174380  0.63098252  0.90881625
   0.59326380  0.06257348  0.10181299
   0.85296166  0.19407905  0.29746238
   0.65294195  0.29543543  0.04361300
   0.86666135  0.43259951  0.36080507
   0.04945449  0.37402906  0.22012778
   0.81271226  0.38778455  0.17369235
   0.80399384  0.13947640  0.47304117
   0.55826810  0.12522669  0.40539323
   0.63140712  0.07045982  0.59074182
   0.87693958  0.21254473  0.80743897
   0.63475649  0.33328459  0.51772554
   0.85672339  0.45828422  0.86452480
   0.96565336  0.31871716  0.62941572
   0.74478056  0.39922179  0.68881037
   0.80578147  0.07363724  0.98245795
   0.56949861  0.13013486  0.91199761
   0.61913239  0.54255799  0.09424094
   0.83750891  0.69268115  0.28777724
   0.63097509  0.81347280  0.03219963
   0.85199809  0.93751651  0.36250600
   0.91740603  0.88006429  0.16308720
   0.67120152  0.87964690  0.22471826
   0.80252375  0.63134831  0.47099472
   0.54044288  0.59605692  0.41317467
   0.61441582  0.57955533  0.58697343
   0.90084722  0.70362074  0.78910789
   0.62411387  0.81666529  0.46768332
   0.93943145  0.95127482  0.85480028
   0.95691268  0.89372082  0.67170876
   0.73369440  0.91759080  0.75443479
   0.81456704  0.64595460  0.97864700
   0.55732163  0.63024485  0.91364484
   0.73092403  0.83742421  0.59582068
   0.70677154  0.87115499  0.46927755
   0.91159533  0.17995961  0.11710891
   0.78940106  0.39910383  0.32556870
   0.36921882  0.05337931  0.67423081
   0.26633428  0.75695090  0.77972888
   0.08015045  1.13526348  0.22625605
   0.16652902  0.98906851 -0.04606227
   0.66345528  0.29371312  0.84355866
   0.89053831  0.37717664  0.61734120
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979871   -0.196123    0.026016
    -0.000000    9.930474    0.150730
    -0.000000   -0.000000   13.805923
   Si   O    H 
    32    64    10
Direct configuration=   191
   0.17694920  0.15325617  0.01551662
   0.40560098  0.08609493  0.37403448
   0.15939389  0.41033738  0.13441676
   0.40365616  0.34760758  0.26891191
   0.16939477  0.14562490  0.50272422
   0.41163586  0.12168454  0.88660919
   0.11007911  0.38897555  0.61299868
   0.35445636  0.36281486  0.75263330
   0.16005689  0.65878741  0.01016570
   0.38274482  0.59529223  0.38023954
   0.07849985  0.89365850  0.14597576
   0.34018150  0.84037175  0.25810789
   0.11627021  0.65105989  0.49419285
   0.39714843  0.61058937  0.88860093
   0.10130034  0.89827424  0.62553643
   0.36143760  0.94226207  0.73122949
   0.65772098  0.14041895  1.00746282
   0.89855843  0.09343692  0.38727276
   0.66190210  0.39175746  0.13504578
   0.92321091  0.27099060  0.19966445
   0.64254036  0.17321501  0.49649539
   0.91994001  0.10339002  0.89194050
   0.61653139  0.42041857  0.62033400
   0.78557531  0.34704032  0.80085974
   0.64925628  0.65948956  0.01156317
   0.88216753  0.59465462  0.37637296
   0.58101539  0.89884567  0.12641345
   0.81934128  0.85355143  0.25791086
   0.64055195  0.65774973  0.48486322
   0.91105219  0.61425528  0.88971682
   0.64259777  0.92158126  0.65301129
   0.88245947  0.85755598  0.76667723
   0.13289639  0.05142504  0.10994198
   0.36803303  0.19190622  0.29389683
   0.17388908  0.30481792  0.04445195
   0.37021118  0.43020133  0.36787107
   0.54860351  0.35696059  0.22188340
   0.30485277  0.40463167  0.19096398
   0.31781689  0.10365116  0.47548864
   0.05813799  0.10203213  0.41038710
   0.11804218  0.04900163  0.59074416
   0.36226701  0.22867199  0.80718885
   0.18870879  0.30428795  0.53352408
   0.36250682  0.46348672  0.84568909
   0.46537918  0.36736182  0.66846921
   0.20175384  0.38174576  0.70587106
   0.33520619  0.14814221 -0.01569493
   0.03975932  0.18134135  0.95333167
   0.12255072  0.56026408  0.09568445
   0.35880264  0.67761938  0.28154205
   0.09936748  0.80579732  0.05001373
   0.39896406  0.94486209  0.33508392
   0.42449920  0.85994067  0.15355844
   0.18161236  0.85964083  0.24131652
   0.27744160  0.63990231  0.46025482
   0.04109563  0.61506638  0.39530978
   0.07693486  0.53905195  0.57632026
   0.35309520  0.72315246  0.80542335
   0.08730640  0.80317188  0.52615592
   0.36776248  0.97879412  0.84557387
   0.49363420  0.87070786  0.69302031
   0.21325528  0.86471630  0.70559833
   0.32090209  0.66199604 -0.01366623
   0.07109646  0.63083193  0.90869216
   0.59395242  0.06294306  0.10280537
   0.85198002  0.19351616  0.29737478
   0.65247439  0.29661415  0.04427035
   0.86643922  0.43293033  0.35915999
   0.05015586  0.37345614  0.22054575
   0.81198745  0.38663113  0.17356869
   0.80329690  0.13997765  0.47503415
   0.55838772  0.12371066  0.40449802
   0.63125557  0.06941621  0.58952788
   0.87646302  0.21118611  0.80835836
   0.63384612  0.33284685  0.51778702
   0.85686387  0.45808386  0.86471169
   0.96472875  0.31861051  0.62952436
   0.74428983  0.39981902  0.68925481
   0.80580096  0.07338077  0.98284257
   0.56949709  0.12836847  0.91207396
   0.61730286  0.54205883  0.09406837
   0.83696306  0.69247872  0.28813422
   0.63077679  0.81408879  0.03113870
   0.85506621  0.93754148  0.36218209
   0.91820859  0.88094551  0.16375919
   0.66995833  0.88084573  0.22528416
   0.80171920  0.63197860  0.47126324
   0.53885804  0.59581439  0.41333257
   0.61443681  0.57911746  0.58719365
   0.89942863  0.70394128  0.79018921
   0.62322630  0.81656298  0.46788994
   0.93907561  0.95260439  0.85517430
   0.95517897  0.89404121  0.67172928
   0.73479676  0.91760399  0.75436100
   0.81462881  0.64633083  0.97737868
   0.55801004  0.63220877  0.91362489
   0.74328603  0.84099706  0.59797353
   0.70287911  0.87184214  0.46673089
   0.91227430  0.18076627  0.11580228
   0.78708702  0.40471364  0.32459704
   0.36270679  0.05770304  0.67500525
   0.26796391  0.75500371  0.78391009
   0.08665576  1.13301322  0.22081612
   0.16147164  0.99177642 -0.04272384
   0.66240097  0.29247725  0.83668980
   0.88201542  0.36785335  0.61379002
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979438   -0.192970    0.026437
    -0.000000    9.929808    0.154442
    -0.000000   -0.000000   13.805924
   Si   O    H 
    32    64    10
Direct configuration=   192
   0.17702960  0.15357906  0.01586626
   0.40492055  0.08617792  0.37368198
   0.15945974  0.40953897  0.13418372
   0.40595588  0.34846717  0.27029233
   0.16805714  0.14597868  0.50306420
   0.41073445  0.12182564  0.88673544
   0.10994404  0.38893071  0.61222724
   0.35576246  0.36261879  0.75283071
   0.15920101  0.65839583  0.01024673
   0.38107476  0.59515555  0.38024844
   0.07937137  0.89395336  0.14637811
   0.34089685  0.84022659  0.25756591
   0.11734934  0.65144864  0.49473258
   0.39592161  0.61134757  0.88917920
   0.10191200  0.89883079  0.62546773
   0.36053396  0.94251864  0.73124933
   0.65804286  0.14045778  1.00722478
   0.89799493  0.09318664  0.38707683
   0.66183556  0.39292890  0.13395804
   0.92263038  0.27167617  0.20003450
   0.64362928  0.17263965  0.49668948
   0.91964825  0.10436095  0.89147629
   0.61605506  0.42055959  0.62040408
   0.78545378  0.34700795  0.80075471
   0.64990278  0.66050671  0.01140131
   0.88292464  0.59483337  0.37698625
   0.58130279  0.89912306  0.12589324
   0.81991877  0.85397547  0.25813151
   0.64050000  0.65731680  0.48376899
   0.91057624  0.61312656  0.89075448
   0.64169954  0.92300324  0.65185397
   0.88124820  0.85687179  0.76690627
   0.13267865  0.05090021  0.10992402
   0.36721664  0.19229244  0.29323337
   0.17484677  0.30634862  0.04687075
   0.36862248  0.43112929  0.36769146
   0.54963236  0.35798705  0.22154522
   0.30532030  0.40459152  0.19151275
   0.31942810  0.10501629  0.47533704
   0.05840778  0.10159296  0.40883043
   0.11707603  0.04855025  0.59100896
   0.36094308  0.22799660  0.80755454
   0.18971938  0.30475355  0.53363045
   0.36142085  0.46384668  0.84632134
   0.46436786  0.36879286  0.66781169
   0.20249718  0.38209268  0.70595545
   0.33541966  0.15030987 -0.01500212
   0.03907123  0.18096225  0.95135571
   0.12276866  0.56026875  0.09523261
   0.35828541  0.67666706  0.28056062
   0.09954161  0.80726946  0.05104753
   0.39649518  0.94484773  0.33418843
   0.42431898  0.86258974  0.15355964
   0.17979354  0.85954024  0.24189155
   0.27572135  0.64012812  0.45942067
   0.04236321  0.61492105  0.39610536
   0.07665590  0.53822927  0.57628650
   0.35343288  0.72408238  0.80482187
   0.08879636  0.80125214  0.52683049
   0.36658261  0.97956414  0.84580253
   0.49310944  0.87187183  0.69270968
   0.21120863  0.86541052  0.70615729
   0.32083479  0.66488273 -0.01295353
   0.07142977  0.63088952  0.90885112
   0.59415699  0.06287095  0.10384226
   0.85167134  0.19326918  0.29728135
   0.65271080  0.29772896  0.04450163
   0.86670260  0.43353495  0.35749893
   0.05093270  0.37253252  0.22055807
   0.81206327  0.38594922  0.17339567
   0.80307824  0.14080782  0.47673780
   0.55886445  0.12233918  0.40413001
   0.63035402  0.06733545  0.58893399
   0.87603691  0.20969063  0.80914446
   0.63275027  0.33313152  0.51774186
   0.85746290  0.45871988  0.86470082
   0.96397997  0.31819714  0.62930744
   0.74366131  0.40001994  0.68938703
   0.80549380  0.07366425  0.98290601
   0.56950468  0.12612775  0.91210467
   0.61547857  0.54225822  0.09427319
   0.83639997  0.69247389  0.28801017
   0.63099221  0.81429719  0.03055629
   0.85734383  0.93714267  0.36083402
   0.91972170  0.88090536  0.16385373
   0.66926199  0.88150931  0.22594487
   0.80059087  0.63242091  0.47122554
   0.53666556  0.59594945  0.41322685
   0.61432188  0.57788921  0.58734398
   0.89836004  0.70307342  0.79150863
   0.62221641  0.81623201  0.46855565
   0.93892596  0.95232950  0.85517909
   0.95365061  0.89436482  0.67106511
   0.73550640  0.91780748  0.75436241
   0.81439066  0.64691421  0.97678642
   0.55796442  0.63281412  0.91362201
   0.75137165  0.84224576  0.60163754
   0.69607701  0.87340831  0.46505613
   0.91305857  0.18118648  0.11376111
   0.78122289  0.40777512  0.32351041
   0.35530969  0.06801884  0.67235529
   0.26103684  0.75072762  0.78832850
   0.09026132  1.13036406  0.21767628
   0.15988512  0.99793596 -0.03758605
   0.65761393  0.29099678  0.83008858
   0.87727341  0.35808881  0.61319299
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978754   -0.189773    0.026553
    -0.000000    9.929086    0.157963
    -0.000000   -0.000000   13.806320
   Si   O    H 
    32    64    10
Direct configuration=   193
   0.17638658  0.15358562  0.01560576
   0.40436112  0.08647565  0.37348746
   0.15959159  0.40936035  0.13377938
   0.40759450  0.34884789  0.27181423
   0.16711325  0.14649391  0.50318797
   0.40996822  0.12204606  0.88645543
   0.10966307  0.38870857  0.61143150
   0.35635787  0.36308974  0.75285424
   0.15858078  0.65901829  0.00981978
   0.37919536  0.59461491  0.38044250
   0.08006285  0.89470684  0.14692928
   0.34095648  0.83988459  0.25657008
   0.11807053  0.65220079  0.49536353
   0.39479225  0.61238486  0.88962350
   0.10193320  0.89858343  0.62484483
   0.35925193  0.94254379  0.73135950
   0.65834012  0.14071823  1.00716124
   0.89808168  0.09356018  0.38703146
   0.66207938  0.39425597  0.13278218
   0.92184826  0.27203650  0.20103904
   0.64496249  0.17182493  0.49651686
   0.91898444  0.10488050  0.89157306
   0.61558548  0.42094891  0.62065312
   0.78575200  0.34673988  0.80019417
   0.65062453  0.66117786  0.01100270
   0.88340739  0.59516848  0.37707398
   0.58148586  0.89905214  0.12507723
   0.82020005  0.85457787  0.25815862
   0.64096674  0.65730708  0.48259278
   0.91004572  0.61181194  0.89125239
   0.64110070  0.92409226  0.65109134
   0.88004560  0.85687804  0.76749046
   0.13333615  0.05056971  0.10985249
   0.36656351  0.19193176  0.29261587
   0.17498120  0.30806234  0.04965803
   0.36703804  0.43232693  0.36761448
   0.55176717  0.35898183  0.22112302
   0.30504872  0.40532690  0.19179646
   0.32100773  0.10670756  0.47503057
   0.05928143  0.10059578  0.40766365
   0.11664076  0.04873307  0.59098273
   0.35950719  0.22701489  0.80727046
   0.19070681  0.30450925  0.53346517
   0.36010618  0.46535724  0.84718753
   0.46355358  0.37042568  0.66666763
   0.20284477  0.38297004  0.70617954
   0.33596099  0.15260419 -0.01473315
   0.03822772  0.17976277  0.94909835
   0.12238582  0.56033816  0.09518248
   0.35788747  0.67606858  0.27991927
   0.10018279  0.80832574  0.05134339
   0.39425863  0.94301158  0.33388932
   0.42423461  0.86515763  0.15318613
   0.17756822  0.86007394  0.24239562
   0.27503941  0.64128158  0.45867046
   0.04389929  0.61532408  0.39721849
   0.07639438  0.53803916  0.57608271
   0.35395366  0.72388419  0.80429725
   0.08991523  0.79916881  0.52788645
   0.36527754  0.97924179  0.84569983
   0.49411698  0.87281922  0.69174194
   0.20950855  0.86615740  0.70733742
   0.31959931  0.66632815 -0.01271907
   0.07223305  0.63148297  0.90927232
   0.59493523  0.06340296  0.10523343
   0.85140976  0.19419701  0.29768986
   0.65286500  0.29800913  0.04442942
   0.86659093  0.43493626  0.35556857
   0.05092522  0.37162372  0.22003491
   0.81196661  0.38533791  0.17308907
   0.80251642  0.14154397  0.47812197
   0.55915468  0.12146266  0.40429616
   0.62944001  0.06551308  0.58900820
   0.87602435  0.20841154  0.80974013
   0.63122608  0.33323076  0.51835316
   0.85890027  0.45858572  0.86461204
   0.96233220  0.31750605  0.62971959
   0.74271143  0.40050086  0.68928322
   0.80510850  0.07445784  0.98270699
   0.56953836  0.12416956  0.91211179
   0.61399258  0.54285954  0.09452375
   0.83638832  0.69252998  0.28797861
   0.63135733  0.81381528  0.03053738
   0.85897633  0.93689511  0.35888320
   0.92119551  0.88055578  0.16408788
   0.66791496  0.88261291  0.22648545
   0.79946776  0.63300668  0.47179150
   0.53469006  0.59631701  0.41240526
   0.61349497  0.57671107  0.58698498
   0.89746770  0.70279195  0.79235561
   0.62042600  0.81556923  0.46909081
   0.93888901  0.95177705  0.85519268
   0.95362619  0.89479252  0.66998976
   0.73551275  0.91787355  0.75442121
   0.81328916  0.64759644  0.97618422
   0.55821230  0.63369318  0.91403765
   0.75342684  0.84669302  0.60400722
   0.70011315  0.88473788  0.46184313
   0.91379877  0.18093464  0.11416029
   0.78060976  0.41135633  0.32388399
   0.34729742  0.07005663  0.67023914
   0.25593980  0.74271739  0.79401722
   0.09328635  1.13056807  0.21646098
   0.16140689  1.00362046 -0.03085121
   0.65055924  0.29151784  0.82570120
   0.87385417  0.34833558  0.61198878
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978005   -0.186354    0.026543
    -0.000000    9.929011    0.161077
    -0.000000   -0.000000   13.806555
   Si   O    H 
    32    64    10
Direct configuration=   194
   0.17592874  0.15302360  0.01504629
   0.40488999  0.08733912  0.37362514
   0.15994470  0.40928894  0.13372589
   0.40979007  0.34964726  0.27313710
   0.16614091  0.14609865  0.50315325
   0.40909095  0.12279207  0.88630616
   0.11002771  0.38801875  0.61095169
   0.35670452  0.36371392  0.75268744
   0.15793898  0.66012469  0.00892980
   0.37790790  0.59352440  0.38080238
   0.08057411  0.89476327  0.14708510
   0.34124322  0.83922878  0.25553673
   0.11928160  0.65286385  0.49540589
   0.39403916  0.61401651  0.88968674
   0.10182656  0.89774139  0.62432354
   0.35761683  0.94234626  0.73136504
   0.65813955  0.14044531  1.00722866
   0.89800211  0.09376793  0.38759113
   0.66253069  0.39614369  0.13181894
   0.92125688  0.27146119  0.20212141
   0.64676297  0.17101879  0.49663039
   0.91820745  0.10521549  0.89207089
   0.61424398  0.42059168  0.62077019
   0.78548872  0.34608986  0.79941635
   0.65159424  0.66092575  0.01048655
   0.88395828  0.59557954  0.37731700
   0.58157359  0.89871326  0.12450106
   0.82127466  0.85468234  0.25859403
   0.64182881  0.65719798  0.48202361
   0.90985417  0.61046395  0.89203431
   0.64067849  0.92529472  0.65059872
   0.87928425  0.85726570  0.76845525
   0.13432047  0.04972576  0.11005245
   0.36508298  0.19148193  0.29207714
   0.17451542  0.30921408  0.05259283
   0.36553733  0.43344809  0.36719455
   0.55430477  0.35958035  0.22059065
   0.30443255  0.40567234  0.19177350
   0.32263693  0.10821425  0.47442801
   0.05979497  0.10055611  0.40683156
   0.11596538  0.04886348  0.59062288
   0.35794840  0.22616565  0.80730990
   0.19189779  0.30370839  0.53348659
   0.35957063  0.46666601  0.84809084
   0.46337954  0.37241606  0.66596211
   0.20362493  0.38397984  0.70662542
   0.33624473  0.15436466 -0.01428989
   0.03766355  0.17785607  0.94680307
   0.12157302  0.56005498  0.09533972
   0.35730357  0.67598383  0.27860991
   0.10050642  0.80879053  0.05135019
   0.39238967  0.94009748  0.33363588
   0.42369228  0.86815928  0.15269225
   0.17577852  0.86065546  0.24219997
   0.27419009  0.64273986  0.45781976
   0.04465406  0.61498076  0.39812766
   0.07689317  0.53715797  0.57552400
   0.35467560  0.72321748  0.80368090
   0.09067869  0.79756836  0.52876879
   0.36417378  0.97870698  0.84514482
   0.49522433  0.87321210  0.69059795
   0.20823133  0.86693301  0.70896365
   0.31878036  0.66707524 -0.01242312
   0.07305006  0.63240171  0.90884600
   0.59521609  0.06335403  0.10592810
   0.85089966  0.19542819  0.29801016
   0.65338653  0.29859905  0.04345561
   0.86676435  0.43622416  0.35379748
   0.05115386  0.37045984  0.22002955
   0.81115028  0.38543756  0.17285989
   0.80250274  0.14227453  0.47911700
   0.55948471  0.12070126  0.40375740
   0.62863605  0.06435455  0.58918990
   0.87651017  0.20809907  0.81013564
   0.63043988  0.33294329  0.51916867
   0.86091540  0.45793929  0.86474674
   0.96104091  0.31664949  0.63015964
   0.74308828  0.40072638  0.68912697
   0.80525705  0.07495396  0.98281913
   0.56897505  0.12275436  0.91155430
   0.61328520  0.54412397  0.09452391
   0.83567776  0.69308247  0.28730185
   0.63188703  0.81364466  0.03133983
   0.85918860  0.93635203  0.35696798
   0.92206986  0.88011267  0.16445201
   0.66676871  0.88339200  0.22724557
   0.79922959  0.63286833  0.47192385
   0.53257492  0.59666377  0.41224373
   0.61273481  0.57637217  0.58687551
   0.89706962  0.70291115  0.79392296
   0.61918336  0.81567157  0.46961576
   0.93996634  0.95124747  0.85519690
   0.95410512  0.89477417  0.66867481
   0.73461602  0.91855421  0.75444762
   0.81135441  0.64804927  0.97554810
   0.55786359  0.63420280  0.91471313
   0.75067502  0.85086831  0.60706605
   0.69444320  0.88942190  0.45855214
   0.91507828  0.18156166  0.11433924
   0.78145619  0.41454593  0.32434273
   0.34136651  0.06844204  0.66876531
   0.25382751  0.73075648  0.79940761
   0.09661745  1.12569308  0.21124244
   0.16009263  1.00560684 -0.02600173
   0.64656100  0.29780554  0.82356474
   0.87266768  0.34216020  0.60959424
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.977247   -0.183226    0.025871
    -0.000000    9.929325    0.163959
    -0.000000   -0.000000   13.806581
   Si   O    H 
    32    64    10
Direct configuration=   195
   0.17520297  0.15226961  0.01474657
   0.40527524  0.08794496  0.37378728
   0.15972933  0.40937181  0.13441932
   0.41100043  0.35074877  0.27423810
   0.16584894  0.14563318  0.50324652
   0.40818233  0.12369057  0.88634304
   0.11041747  0.38801812  0.61054093
   0.35698079  0.36479767  0.75228592
   0.15738258  0.66203784  0.00881938
   0.37714067  0.59251008  0.38116132
   0.08155236  0.89519130  0.14746241
   0.34135805  0.83838830  0.25394367
   0.12037685  0.65320836  0.49514503
   0.39359981  0.61524799  0.88960883
   0.10153293  0.89646293  0.62426478
   0.35596203  0.94208908  0.73130226
   0.65813550  0.14036559  1.00748664
   0.89889579  0.09426937  0.38778314
   0.66295684  0.39811303  0.13069507
   0.92076629  0.27109145  0.20308723
   0.64834463  0.17017513  0.49673679
   0.91751718  0.10538679  0.89259090
   0.61293815  0.42041803  0.62079739
   0.78578634  0.34579296  0.79851793
   0.65244788  0.66018778  0.00926958
   0.88435386  0.59579521  0.37727671
   0.58122618  0.89870297  0.12424439
   0.82222391  0.85464319  0.25873572
   0.64261645  0.65692030  0.48167441
   0.90969582  0.60944004  0.89233610
   0.64041121  0.92673563  0.65070547
   0.87861827  0.85824221  0.76961623
   0.13565957  0.04854594  0.11046378
   0.36296623  0.19134091  0.29108434
   0.17338457  0.30983282  0.05468999
   0.36395741  0.43474555  0.36721939
   0.55710579  0.36010598  0.22003715
   0.30399217  0.40603869  0.19158608
   0.32327859  0.11029770  0.47371831
   0.06086185  0.10041922  0.40661572
   0.11563982  0.04922497  0.58966330
   0.35721115  0.22455391  0.80727491
   0.19327203  0.30174475  0.53277309
   0.35954815  0.46826014  0.84883208
   0.46387326  0.37494686  0.66494856
   0.20471742  0.38453969  0.70689872
   0.33626286  0.15630075 -0.01364211
   0.03801142  0.17684233  0.94517473
   0.12121121  0.55990529  0.09544724
   0.35633712  0.67582408  0.27751082
   0.10165971  0.80799518  0.05047336
   0.39122443  0.93721376  0.33364591
   0.42294043  0.87123683  0.15282952
   0.17423609  0.86088231  0.24204344
   0.27363161  0.64384414  0.45711938
   0.04564250  0.61443183  0.39852131
   0.07668534  0.53609161  0.57497185
   0.35424534  0.72186871  0.80350425
   0.09058209  0.79691643  0.52997698
   0.36343317  0.97886055  0.84458789
   0.49526066  0.87359672  0.68968041
   0.20724039  0.86810116  0.71007976
   0.31798466  0.66790899 -0.01215868
   0.07411693  0.63244102  0.90844145
   0.59535949  0.06292246  0.10654172
   0.85029192  0.19646544  0.29845662
   0.65461070  0.29889702  0.04242790
   0.86741108  0.43743093  0.35222069
   0.05138326  0.36871038  0.21996387
   0.81054204  0.38491309  0.17265945
   0.80291812  0.14290787  0.47918013
   0.55977698  0.12065574  0.40318833
   0.62765374  0.06379437  0.58957186
   0.87717741  0.20849033  0.81021513
   0.63005823  0.33247248  0.52007136
   0.86331403  0.45763152  0.86466601
   0.96062881  0.31684498  0.63055346
   0.74305854  0.40072045  0.68893056
   0.80587895  0.07486270  0.98247496
   0.56844317  0.12245461  0.91138977
   0.61301773  0.54570534  0.09474978
   0.83437909  0.69326953  0.28633302
   0.63209664  0.81438273  0.03313977
   0.85970094  0.93624761  0.35560369
   0.92320097  0.87991285  0.16498444
   0.66504346  0.88411736  0.22773401
   0.79921430  0.63278647  0.47196950
   0.53093212  0.59737373  0.41219014
   0.61149181  0.57675394  0.58628328
   0.89656645  0.70244645  0.79548163
   0.61815745  0.81644214  0.47002629
   0.94114337  0.95138525  0.85510608
   0.95476132  0.89396209  0.66804940
   0.73375782  0.91960335  0.75450373
   0.80915060  0.64835926  0.97533151
   0.55739384  0.63469046  0.91528206
   0.74597063  0.85255853  0.60802161
   0.68276656  0.88802371  0.45799348
   0.91554529  0.18461038  0.11620544
   0.78230620  0.41366140  0.32399229
   0.33899825  0.06325496  0.66782680
   0.25925000  0.71825507  0.80231066
   0.09541218  1.12201758  0.21003569
   0.15660657  1.00101214 -0.01959011
   0.64580227  0.30610373  0.82284706
   0.87359898  0.33948597  0.60677587
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.976449   -0.180211    0.025035
    -0.000000    9.930542    0.166192
    -0.000000   -0.000000   13.806514
   Si   O    H 
    32    64    10
Direct configuration=   196
   0.17430141  0.15203781  0.01460298
   0.40515426  0.08850427  0.37427081
   0.15989061  0.40968894  0.13532284
   0.41149069  0.35136312  0.27546061
   0.16544258  0.14503506  0.50315410
   0.40847649  0.12382194  0.88645814
   0.11107166  0.38756591  0.61036721
   0.35766113  0.36659327  0.75191398
   0.15628786  0.66409162  0.00887188
   0.37636225  0.59154863  0.38140255
   0.08240562  0.89558175  0.14767580
   0.34122151  0.83772722  0.25208960
   0.12123140  0.65330873  0.49459579
   0.39381525  0.61683721  0.88917618
   0.10145437  0.89511929  0.62417007
   0.35465519  0.94171413  0.73116994
   0.65862913  0.13970338  1.00812043
   0.90005181  0.09461128  0.38790627
   0.66316476  0.40058180  0.13009169
   0.91955101  0.27144239  0.20344005
   0.64918762  0.17012010  0.49691156
   0.91672400  0.10543882  0.89295886
   0.61156148  0.42006771  0.62060625
   0.78563544  0.34507764  0.79830905
   0.65385124  0.65947125  0.00805437
   0.88419717  0.59553718  0.37662766
   0.58056978  0.89928425  0.12391406
   0.82302859  0.85480982  0.25864907
   0.64362884  0.65704860  0.48148682
   0.90974427  0.60884425  0.89252039
   0.64079054  0.92733736  0.65160245
   0.87769882  0.85939400  0.77045793
   0.13701434  0.04785922  0.11065426
   0.36105749  0.19116623  0.29009111
   0.17238296  0.30908313  0.05608822
   0.36150836  0.43507320  0.36759480
   0.55983428  0.36045924  0.21934562
   0.30356839  0.40655591  0.19125846
   0.32327037  0.11256927  0.47353985
   0.06131567  0.10055608  0.40732144
   0.11649488  0.05012964  0.58831607
   0.35646091  0.22325505  0.80819603
   0.19425267  0.29958944  0.53164060
   0.35922565  0.46966492  0.84987062
   0.46520804  0.37752128  0.66395364
   0.20553201  0.38442489  0.70708797
   0.33621857  0.15821317 -0.01313287
   0.03806568  0.17601964  0.94380617
   0.12107490  0.55911624  0.09561726
   0.35582324  0.67673336  0.27622971
   0.10274280  0.80735699  0.04928531
   0.38967584  0.93503619  0.33452127
   0.42192628  0.87400831  0.15322077
   0.17364267  0.86064399  0.24165335
   0.27242544  0.64502416  0.45661889
   0.04637999  0.61395252  0.39858759
   0.07644936  0.53513242  0.57493738
   0.35473385  0.72127192  0.80289166
   0.09061208  0.79699675  0.53133171
   0.36241717  0.97869151  0.84368995
   0.49512433  0.87442254  0.68870382
   0.20813452  0.86990280  0.71085147
   0.31690688  0.66882762 -0.01128944
   0.07546487  0.63182012  0.90847447
   0.59533666  0.06258527  0.10676057
   0.84957921  0.19733874  0.29906125
   0.65605651  0.29844537  0.04081930
   0.86861252  0.43864451  0.35035825
   0.05196806  0.36742540  0.22014089
   0.80942517  0.38438493  0.17193646
   0.80408250  0.14321588  0.47923917
   0.56099334  0.12098291  0.40289882
   0.62667289  0.06350275  0.58964891
   0.87742858  0.20878179  0.81042088
   0.62949269  0.33087073  0.52067639
   0.86437679  0.45733684  0.86398599
   0.96089201  0.31686945  0.63048412
   0.74311681  0.40102818  0.68855578
   0.80656423  0.07520612  0.98200019
   0.56856830  0.12240120  0.91147030
   0.61258711  0.54810868  0.09497365
   0.83323621  0.69460563  0.28508608
   0.63362688  0.81587680  0.03489510
   0.86023503  0.93535922  0.35494659
   0.92445858  0.88022241  0.16562722
   0.66262959  0.88515308  0.22813405
   0.79939723  0.63208284  0.47146290
   0.52963780  0.59801103  0.41219457
   0.61070554  0.57682739  0.58597657
   0.89503783  0.70231132  0.79732973
   0.61624115  0.81635973  0.47031873
   0.94214605  0.95104790  0.85499963
   0.95496590  0.89343786  0.66737082
   0.73218646  0.92083714  0.75409407
   0.80633730  0.64894526  0.97573197
   0.55675513  0.63407845  0.91622338
   0.74029484  0.85029647  0.60657777
   0.67516290  0.89178590  0.45828697
   0.91322664  0.19005088  0.12093611
   0.77558987  0.41148263  0.32303308
   0.33801569  0.05947604  0.66585321
   0.25541594  0.70563601  0.80216609
   0.08924042  1.11928573  0.21147308
   0.15241526  0.99734569 -0.01737414
   0.64839129  0.31351964  0.82278061
   0.87481447  0.34057048  0.60282519
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975666   -0.177306    0.023645
    -0.000000    9.931767    0.168822
    -0.000000   -0.000000   13.806514
   Si   O    H 
    32    64    10
Direct configuration=   197
   0.17412365  0.15153128  0.01418003
   0.40580416  0.08891187  0.37463527
   0.15987209  0.41027617  0.13638382
   0.41129552  0.35140660  0.27666705
   0.16527091  0.14409836  0.50302505
   0.40829948  0.12401054  0.88704834
   0.11171887  0.38729455  0.61045838
   0.35779155  0.36832397  0.75119262
   0.15569500  0.66542794  0.00909677
   0.37571555  0.59102550  0.38168482
   0.08425552  0.89601811  0.14831815
   0.34117738  0.83711191  0.25047996
   0.12241956  0.65319958  0.49440435
   0.39471163  0.61862088  0.88884945
   0.10229414  0.89383931  0.62434265
   0.35336769  0.94118676  0.73046492
   0.65832817  0.13856385  1.00866856
   0.90119696  0.09483038  0.38785839
   0.66316460  0.40295412  0.12939655
   0.91745741  0.27188804  0.20429796
   0.65026341  0.16915114  0.49678968
   0.91577940  0.10477821  0.89359391
   0.61034549  0.41937100  0.62051810
   0.78601679  0.34376364  0.79787487
   0.65469862  0.65854817  0.00658262
   0.88427461  0.59516898  0.37626005
   0.57896234  0.89969610  0.12443216
   0.82335240  0.85515906  0.25886913
   0.64419197  0.65787313  0.48192335
   0.90943672  0.60842976  0.89268470
   0.64137317  0.92719233  0.65254761
   0.87704013  0.86092205  0.77107983
   0.13797564  0.04714264  0.11145230
   0.35939521  0.19169003  0.28886689
   0.17075535  0.30727020  0.05680769
   0.35922951  0.43517003  0.36762420
   0.56159491  0.36024515  0.21881454
   0.30446817  0.40750191  0.19086030
   0.32322283  0.11461328  0.47370582
   0.06134366  0.10105143  0.40834913
   0.11774058  0.05034203  0.58704346
   0.35597083  0.22176155  0.80851688
   0.19428381  0.29795191  0.53061263
   0.35940691  0.47098129  0.85020546
   0.46713721  0.37935206  0.66326411
   0.20631667  0.38417999  0.70742138
   0.33625589  0.16018422 -0.01245198
   0.03911967  0.17525823  0.94249997
   0.12124199  0.55849081  0.09535601
   0.35477778  0.67811799  0.27575126
   0.10396676  0.80615001  0.04783861
   0.38866077  0.93298000  0.33560792
   0.42132295  0.87663449  0.15315779
   0.17408331  0.86049522  0.24134130
   0.27158226  0.64599300  0.45632907
   0.04587465  0.61343231  0.39854315
   0.07503209  0.53502063  0.57435823
   0.35441740  0.72063391  0.80210972
   0.09057159  0.79796848  0.53312227
   0.36247231  0.97861005  0.84354635
   0.49496246  0.87470553  0.68800078
   0.20808704  0.87127015  0.71151580
   0.31552028  0.66996269 -0.01076229
   0.07694757  0.63110516  0.90861995
   0.59593727  0.06260182  0.10591870
   0.84934950  0.19720386  0.29978875
   0.65685435  0.29747261  0.03909077
   0.86895077  0.43976103  0.34890996
   0.05196675  0.36634040  0.22039586
   0.80897071  0.38373043  0.17134627
   0.80627141  0.14388600  0.47921800
   0.56237429  0.12055924  0.40210507
   0.62508897  0.06412500  0.58979322
   0.87706504  0.20871705  0.81042360
   0.62880696  0.32931654  0.52112806
   0.86527840  0.45727664  0.86281340
   0.96228957  0.31691332  0.62997582
   0.74353652  0.40102394  0.68855874
   0.80745454  0.07583618  0.98192825
   0.56858469  0.12293845  0.91193045
   0.61253178  0.55075024  0.09457606
   0.83220547  0.69611270  0.28390177
   0.63512191  0.81728799  0.03625067
   0.86023827  0.93517487  0.35452798
   0.92561906  0.88049693  0.16637810
   0.66058621  0.88546978  0.22820624
   0.79845682  0.63160164  0.47095751
   0.52882739  0.59830133  0.41235782
   0.61054642  0.57739883  0.58554842
   0.89358856  0.70232926  0.79898822
   0.61479141  0.81649539  0.47115370
   0.94217790  0.94982874  0.85533068
   0.95406010  0.89308860  0.66696779
   0.73162176  0.92181964  0.75378625
   0.80426103  0.64880792  0.97624115
   0.55657114  0.63373256  0.91759039
   0.73971156  0.84247854  0.60341397
   0.66900357  0.89624965  0.45890914
   0.90998018  0.19526005  0.12329013
   0.77726613  0.41028679  0.32375782
   0.34129244  0.05805087  0.66458319
   0.25509622  0.69775484  0.80027076
   0.08078515  1.12002422  0.21645662
   0.15076795  0.99049160 -0.01619907
   0.64863596  0.32210452  0.82770459
   0.87571418  0.34485446  0.60050046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975183   -0.174954    0.022461
    -0.000000    9.933455    0.171311
    -0.000000   -0.000000   13.806780
   Si   O    H 
    32    64    10
Direct configuration=   198
   0.17416722  0.15176173  0.01334593
   0.40600092  0.08856058  0.37456927
   0.16064464  0.41083537  0.13759315
   0.41094127  0.35142260  0.27718186
   0.16561209  0.14352302  0.50261075
   0.40849762  0.12341729  0.88766688
   0.11226694  0.38677764  0.61049575
   0.35827493  0.36978042  0.75080351
   0.15570511  0.66613925  0.00934875
   0.37541849  0.59143460  0.38207035
   0.08557247  0.89592753  0.14903271
   0.34085560  0.83654471  0.24863872
   0.12351930  0.65276957  0.49405623
   0.39560922  0.62015689  0.88861115
   0.10280596  0.89305880  0.62474616
   0.35250674  0.94083561  0.72891139
   0.65815286  0.13831516  1.00904925
   0.90259039  0.09516788  0.38757622
   0.66314549  0.40499941  0.12869009
   0.91522594  0.27253962  0.20576531
   0.65113197  0.16884980  0.49683150
   0.91480397  0.10383328  0.89426262
   0.60887459  0.41829286  0.62055785
   0.78570906  0.34256278  0.79724454
   0.65528111  0.65749224  0.00490224
   0.88520693  0.59549014  0.37600556
   0.57731699  0.89983495  0.12528829
   0.82312541  0.85495385  0.25875829
   0.64436831  0.65813087  0.48296183
   0.90930482  0.60751794  0.89319541
   0.64188493  0.92690219  0.65379229
   0.87624891  0.86203271  0.77171219
   0.13860873  0.04671982  0.11277611
   0.35885499  0.19233251  0.28794538
   0.16910163  0.30485069  0.05696760
   0.35709364  0.43505897  0.36810246
   0.56283520  0.35992493  0.21918782
   0.30595683  0.40850055  0.19091665
   0.32299257  0.11627986  0.47434401
   0.06128865  0.10254484  0.40982356
   0.11912489  0.04930704  0.58606230
   0.35568941  0.22154307  0.80795437
   0.19399284  0.29595801  0.52996675
   0.35939426  0.47184190  0.85040580
   0.46887237  0.38104764  0.66307816
   0.20618786  0.38346139  0.70806799
   0.33631703  0.16114290 -0.01206519
   0.04019981  0.17468774  0.94158505
   0.12155480  0.55762871  0.09488288
   0.35394156  0.67849255  0.27552718
   0.10586287  0.80600422  0.04680967
   0.38761017  0.93212145  0.33677929
   0.42090574  0.87974958  0.15262492
   0.17414471  0.86043877  0.24117357
   0.27128420  0.64705445  0.45643125
   0.04541118  0.61217657  0.39723543
   0.07318305  0.53543129  0.57377541
   0.35381507  0.71966607  0.80138524
   0.09102707  0.79811588  0.53420149
   0.36204760  0.97875455  0.84353830
   0.49462224  0.87469007  0.68697773
   0.20819454  0.87221453  0.71217828
   0.31446221  0.67066252 -0.01095050
   0.07809858  0.63041449  0.90867721
   0.59728083  0.06253168  0.10532764
   0.84920006  0.19632972  0.30098360
   0.65790965  0.29667778  0.03731731
   0.86968478  0.44082482  0.34793095
   0.05227956  0.36475172  0.22071125
   0.80791826  0.38367826  0.17078989
   0.80858213  0.14493844  0.47907676
   0.56392896  0.11964752  0.40156603
   0.62456467  0.06489765  0.59030973
   0.87672439  0.20920009  0.81002374
   0.62869032  0.32685167  0.52148088
   0.86534276  0.45823436  0.86197633
   0.96378703  0.31661370  0.62974903
   0.74385540  0.40142177  0.68858342
   0.80848139  0.07694570  0.98143841
   0.56894548  0.12386054  0.91239399
   0.61249777  0.55305574  0.09408373
   0.83156502  0.69713378  0.28281973
   0.63707000  0.81822344  0.03777373
   0.86009757  0.93515579  0.35422339
   0.92701206  0.88124080  0.16754090
   0.65886216  0.88502950  0.22804847
   0.79785737  0.63140544  0.47035681
   0.52892891  0.59775961  0.41222776
   0.60979626  0.57760837  0.58528693
   0.89183370  0.70195270  0.80047061
   0.61313469  0.81579114  0.47191780
   0.94201795  0.94896834  0.85566252
   0.95250015  0.89236589  0.66699484
   0.73109246  0.92243065  0.75340773
   0.80290288  0.64932706  0.97686897
   0.55586126  0.63440247  0.91861052
   0.73602432  0.83225108  0.60019472
   0.66654893  0.90139449  0.46084257
   0.90732081  0.19588163  0.12104080
   0.78679699  0.41245426  0.32551822
   0.34288699  0.05721423  0.66209780
   0.25961696  0.69445589  0.79526603
   0.07136295  1.12441143  0.22485057
   0.15210766  0.98597627 -0.01774447
   0.64955769  0.32922147  0.83447877
   0.88239081  0.34658926  0.59831238
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974705   -0.172113    0.021478
    -0.000000    9.934687    0.173991
    -0.000000   -0.000000   13.807027
   Si   O    H 
    32    64    10
Direct configuration=   199
   0.17401655  0.15243025  0.01274151
   0.40636803  0.08820844  0.37462325
   0.16135514  0.41128247  0.13922146
   0.41112177  0.35113029  0.27720148
   0.16596105  0.14234994  0.50195209
   0.40812523  0.12244021  0.88796829
   0.11287758  0.38655654  0.61022611
   0.35853115  0.37078838  0.75089217
   0.15555745  0.66655837  0.00965719
   0.37579813  0.59217351  0.38199858
   0.08691695  0.89625509  0.14945334
   0.34052539  0.83574348  0.24689025
   0.12455608  0.65198559  0.49361038
   0.39671759  0.62153539  0.88866272
   0.10289342  0.89285733  0.62499131
   0.35181845  0.94042640  0.72731443
   0.65767493  0.13813050  1.00967730
   0.90353921  0.09552134  0.38731940
   0.66260546  0.40668078  0.12812095
   0.91346112  0.27294386  0.20772765
   0.65207193  0.16866938  0.49698670
   0.91427842  0.10239325  0.89458941
   0.60790269  0.41759453  0.62049739
   0.78542059  0.34173878  0.79657641
   0.65599805  0.65740642  0.00377040
   0.88600747  0.59628719  0.37558928
   0.57607985  0.90049741  0.12619895
   0.82302565  0.85460031  0.25858498
   0.64395846  0.65828116  0.48355466
   0.91004103  0.60703781  0.89389910
   0.64202574  0.92631198  0.65492715
   0.87602456  0.86286599  0.77190031
   0.13849867  0.04626597  0.11363628
   0.35896914  0.19254322  0.28754408
   0.16682698  0.30297888  0.05739999
   0.35540139  0.43447293  0.36873344
   0.56318809  0.36004668  0.22010750
   0.30746389  0.40869254  0.19179167
   0.32269847  0.11871551  0.47479339
   0.06093462  0.10386885  0.41084437
   0.11971152  0.04838175  0.58549253
   0.35503664  0.22187884  0.80678335
   0.19334007  0.29423000  0.52954129
   0.35962495  0.47204427  0.85039927
   0.47013996  0.38269876  0.66386700
   0.20658934  0.38247329  0.70834925
   0.33672421  0.16195720 -0.01223047
   0.04282992  0.17518412  0.94093279
   0.12250068  0.55752352  0.09502173
   0.35236440  0.67815808  0.27581325
   0.10804968  0.80608871  0.04667386
   0.38651700  0.93256392  0.33774378
   0.42060062  0.88249040  0.15199894
   0.17491937  0.86051237  0.24086851
   0.27063117  0.64846717  0.45730703
   0.04480933  0.61112729  0.39564618
   0.07192276  0.53657576  0.57278710
   0.35342188  0.71878770  0.80103990
   0.09087502  0.79856484  0.53559905
   0.36162769  0.97945181  0.84336693
   0.49391259  0.87476645  0.68569538
   0.20803341  0.87242663  0.71258023
   0.31324317  0.67149821 -0.01102663
   0.07855786  0.62972943  0.90879443
   0.59831002  0.06232837  0.10415894
   0.84916888  0.19559519  0.30205319
   0.65942095  0.29688607  0.03563248
   0.87113153  0.44158016  0.34601410
   0.05211901  0.36282463  0.22021360
   0.80622499  0.38462444  0.16996995
   0.81148314  0.14597328  0.47854065
   0.56612148  0.11888932  0.40085167
   0.62555254  0.06687188  0.59068406
   0.87669678  0.20968987  0.80953550
   0.62855947  0.32533996  0.52240761
   0.86575722  0.45839794  0.86127079
   0.96561888  0.31649541  0.62943220
   0.74448998  0.40166265  0.68842491
   0.80868199  0.07749462  0.98138934
   0.56957761  0.12438824  0.91262842
   0.61238701  0.55492350  0.09361074
   0.83095691  0.69680246  0.28226369
   0.63848719  0.81881273  0.03956531
   0.86049353  0.93491015  0.35489026
   0.92837315  0.88271904  0.16870851
   0.65838421  0.88369932  0.22774001
   0.79745621  0.63170185  0.46952289
   0.53025669  0.59758045  0.41176939
   0.60901694  0.57819067  0.58510800
   0.89040726  0.70173811  0.80150177
   0.61105306  0.81529921  0.47251474
   0.94129734  0.94836117  0.85608208
   0.95063822  0.89188869  0.66742650
   0.73035938  0.92263618  0.75341659
   0.80273785  0.64932238  0.97700402
   0.55486013  0.63502823  0.91913157
   0.72733030  0.82670551  0.59750746
   0.66032714  0.89675576  0.46564073
   0.90666199  0.19645936  0.11520837
   0.78436273  0.40984410  0.32273891
   0.34502596  0.05507877  0.65807855
   0.25818806  0.68875709  0.79007428
   0.05998252  1.12953468  0.23291902
   0.15298602  0.98850669 -0.02231547
   0.64711837  0.33104127  0.83789734
   0.88792206  0.34838657  0.59935027
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974078   -0.168796    0.020753
    -0.000000    9.935904    0.176733
    -0.000000   -0.000000   13.806992
   Si   O    H 
    32    64    10
Direct configuration=   200
   0.17360696  0.15229514  0.01223998
   0.40682639  0.08696154  0.37460950
   0.16135702  0.41169276  0.14047779
   0.41083074  0.35087756  0.27647649
   0.16613042  0.14139924  0.50093221
   0.40826445  0.12155586  0.88846333
   0.11335566  0.38646285  0.60986108
   0.35856556  0.37131095  0.75119029
   0.15523544  0.66612835  0.00997644
   0.37637648  0.59337760  0.38145156
   0.08799383  0.89632436  0.14996098
   0.34076661  0.83497257  0.24557897
   0.12576209  0.65070476  0.49342733
   0.39812444  0.62282248  0.88896761
   0.10292610  0.89322392  0.62495186
   0.35073297  0.94022776  0.72564583
   0.65725506  0.13838575  1.00974139
   0.90391861  0.09546890  0.38723072
   0.66176132  0.40800157  0.12770860
   0.91167295  0.27307840  0.20957233
   0.65220245  0.16864604  0.49708357
   0.91369817  0.10066969  0.89472949
   0.60731094  0.41705181  0.62002729
   0.78467560  0.34184027  0.79623495
   0.65599103  0.65756368  0.00284148
   0.88681106  0.59674457  0.37467387
   0.57520799  0.90120865  0.12713183
   0.82291939  0.85443598  0.25830640
   0.64290831  0.65919567  0.48419592
   0.91073413  0.60694019  0.89449924
   0.64226853  0.92575779  0.65542278
   0.87626967  0.86305245  0.77147638
   0.13923190  0.04553811  0.11424154
   0.35919254  0.19337815  0.28753231
   0.16367330  0.30118941  0.05784386
   0.35433311  0.43371354  0.36867556
   0.56313276  0.36034562  0.22101519
   0.30883713  0.40869645  0.19274828
   0.32219015  0.12006575  0.47468448
   0.06121159  0.10472729  0.41147110
   0.11974703  0.04732263  0.58542056
   0.35542159  0.22323649  0.80524906
   0.19286903  0.29279733  0.53002068
   0.36000831  0.47159785  0.84992858
   0.47050077  0.38422857  0.66461850
   0.20722049  0.38151413  0.70848198
   0.33697783  0.16253744 -0.01239369
   0.04510490  0.17591739  0.94015728
   0.12348493  0.55716636  0.09529328
   0.35104751  0.67769301  0.27570208
   0.10980098  0.80676541  0.04662707
   0.38595355  0.93326900  0.33854097
   0.42033727  0.88411759  0.15061219
   0.17631128  0.86043704  0.24123983
   0.27033367  0.64968334  0.45854526
   0.04372311  0.61095960  0.39385612
   0.07094417  0.53844383  0.57216402
   0.35392756  0.71718366  0.79979077
   0.09112402  0.79916302  0.53656940
   0.36153496  0.98011690  0.84310903
   0.49274100  0.87447934  0.68464454
   0.20759062  0.87209560  0.71271262
   0.31261766  0.67207870 -0.01167692
   0.07879637  0.62900206  0.90994446
   0.59873247  0.06217919  0.10276510
   0.84879270  0.19583166  0.30312479
   0.66022100  0.29811937  0.03408457
   0.87301646  0.44187185  0.34477315
   0.05148550  0.36113462  0.21910016
   0.80509463  0.38585768  0.16984952
   0.81408565  0.14603337  0.47779223
   0.56742706  0.11876762  0.40144720
   0.62678542  0.06931490  0.59106547
   0.87721280  0.20913800  0.80867097
   0.62812989  0.32442732  0.52342672
   0.86589479  0.45926947  0.86099768
   0.96761207  0.31608442  0.62919783
   0.74425724  0.40131939  0.68833945
   0.80869658  0.07857917  0.98149980
   0.56999756  0.12444851  0.91304266
   0.61202204  0.55641525  0.09348997
   0.83091002  0.69620904  0.28206953
   0.63947648  0.81866666  0.04089634
   0.86061718  0.93534344  0.35617826
   0.92880115  0.88406103  0.16952622
   0.65934164  0.88251630  0.22801416
   0.79703657  0.63138236  0.46853072
   0.53202824  0.59756929  0.41061948
   0.60809204  0.57890844  0.58424851
   0.88933016  0.70135507  0.80262231
   0.60882741  0.81454630  0.47251164
   0.94098881  0.94818540  0.85638309
   0.94819475  0.89131720  0.66762590
   0.72923222  0.92280385  0.75388143
   0.80403545  0.64882185  0.97679959
   0.55283490  0.63527604  0.91934316
   0.71085219  0.82300157  0.59595420
   0.65944376  0.89323255  0.47142001
   0.90634771  0.19798775  0.10974235
   0.78041232  0.40819076  0.32116488
   0.34849546  0.05509739  0.65547421
   0.26110333  0.68783515  0.78867379
   0.04965049  1.13582215  0.23836277
   0.15360434  0.99403886 -0.02782066
   0.64504647  0.33287344  0.84143290
   0.88570201  0.35420092  0.59726816
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.973416   -0.165241    0.019889
    -0.000000    9.936627    0.179574
    -0.000000   -0.000000   13.807265
   Si   O    H 
    32    64    10
Direct configuration=   201
   0.17323033  0.15185663  0.01218258
   0.40685508  0.08539138  0.37513397
   0.16175797  0.41236990  0.14194427
   0.41107045  0.35033022  0.27548624
   0.16638184  0.14060109  0.49952903
   0.40868283  0.12089628  0.88864810
   0.11373145  0.38667859  0.60978177
   0.35831254  0.37203959  0.75192232
   0.15499779  0.66585094  0.01023858
   0.37649875  0.59437854  0.38075937
   0.08932140  0.89625918  0.15018621
   0.34095014  0.83457005  0.24461454
   0.12608372  0.64995919  0.49308247
   0.39915268  0.62397742  0.88957087
   0.10284566  0.89465886  0.62494947
   0.34998403  0.93985819  0.72444337
   0.65711040  0.13868408  1.00978480
   0.90412310  0.09478921  0.38761689
   0.66068298  0.40916642  0.12741234
   0.91054959  0.27341741  0.21111377
   0.65290489  0.16866317  0.49754094
   0.91279973  0.09914182  0.89497846
   0.60809399  0.41729938  0.61914778
   0.78355957  0.34202802  0.79641866
   0.65591667  0.65790145  0.00215299
   0.88697836  0.59727551  0.37416966
   0.57529382  0.90202978  0.12828641
   0.82344212  0.85441351  0.25749424
   0.64095729  0.65995843  0.48481429
   0.91149765  0.60679300  0.89463639
   0.64203365  0.92548951  0.65583791
   0.87661980  0.86301578  0.77037094
   0.13922328  0.04558371  0.11401481
   0.36019191  0.19313539  0.28798083
   0.16018928  0.30047999  0.05777152
   0.35382819  0.43273908  0.36820098
   0.56230654  0.36151944  0.22196341
   0.31092707  0.40892453  0.19344841
   0.32238446  0.12121553  0.47450909
   0.06176832  0.10477479  0.41238505
   0.11984153  0.04584090  0.58605472
   0.35486108  0.22443774  0.80391031
   0.19241884  0.29228887  0.53060337
   0.36011615  0.47072314  0.84946654
   0.47040525  0.38575978  0.66545485
   0.20785324  0.38114328  0.70812880
   0.33642024  0.16224213 -0.01248757
   0.04758299  0.17650603  0.93916123
   0.12437183  0.55673442  0.09492324
   0.35007600  0.67740339  0.27593308
   0.11093381  0.80812831  0.04697049
   0.38594941  0.93380295  0.33937323
   0.42051641  0.88621309  0.14959565
   0.17763684  0.85996867  0.24206894
   0.27167162  0.65022680  0.45956355
   0.04303473  0.61044723  0.39296508
   0.07125995  0.53976478  0.57217917
   0.35384466  0.71656983  0.79854321
   0.09135816  0.79892221  0.53723085
   0.36127324  0.98046443  0.84280507
   0.49203323  0.87417952  0.68358727
   0.20666986  0.87103593  0.71278136
   0.31318995  0.67317409 -0.01239339
   0.07790964  0.62770297  0.91145095
   0.59883856  0.06229561  0.10142662
   0.84866684  0.19598171  0.30486855
   0.66051677  0.30019741  0.03321824
   0.87417044  0.44131987  0.34298865
   0.05063928  0.36008285  0.21840645
   0.80475413  0.38743348  0.17003456
   0.81629211  0.14605590  0.47736458
   0.56905904  0.11861066  0.40214503
   0.62769912  0.07201090  0.59210639
   0.87760553  0.20876265  0.80768461
   0.62767260  0.32377898  0.52459163
   0.86611349  0.45945070  0.86109175
   0.96927627  0.31582858  0.62859857
   0.74404199  0.40058899  0.68830907
   0.80824954  0.07913301  0.98186494
   0.56951142  0.12363963  0.91347783
   0.61225530  0.55762383  0.09325949
   0.83077004  0.69489350  0.28223368
   0.64077080  0.81754000  0.04203592
   0.86068695  0.93536956  0.35765596
   0.92947009  0.88578791  0.17003617
   0.66125018  0.88160136  0.22813686
   0.79792158  0.63113058  0.46811180
   0.53361328  0.59685060  0.40978601
   0.60692923  0.57815657  0.58346203
   0.88843257  0.70243942  0.80317637
   0.60712792  0.81414614  0.47213432
   0.94080464  0.94756571  0.85695288
   0.94599137  0.89079695  0.66806311
   0.72777032  0.92378543  0.75413039
   0.80605782  0.64861407  0.97632934
   0.55107656  0.63624205  0.91914407
   0.69385827  0.82815932  0.59746058
   0.66590246  0.89385758  0.47682624
   0.90882781  0.19738438  0.10721361
   0.78217772  0.40773700  0.32198147
   0.35355221  0.05318025  0.65526014
   0.26394932  0.68527443  0.78590693
   0.03885205  1.14279106  0.23946194
   0.15601234  0.99714139 -0.03248681
   0.64665560  0.33001831  0.84506275
   0.88477238  0.35902489  0.59645234
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972638   -0.161392    0.019244
    -0.000000    9.937352    0.182413
    -0.000000   -0.000000   13.806888
   Si   O    H 
    32    64    10
Direct configuration=   202
   0.17306215  0.15153361  0.01216005
   0.40694276  0.08474107  0.37545696
   0.16290108  0.41329641  0.14314019
   0.41082505  0.34946290  0.27449937
   0.16654513  0.14009246  0.49822323
   0.40950796  0.12104757  0.88838315
   0.11395769  0.38710293  0.60998312
   0.35790040  0.37271170  0.75307795
   0.15538200  0.66492226  0.01033260
   0.37689873  0.59547017  0.38029005
   0.09087474  0.89622320  0.15005358
   0.34084340  0.83422991  0.24397206
   0.12584793  0.65057187  0.49236320
   0.39923538  0.62478268  0.89046848
   0.10252333  0.89657640  0.62522024
   0.34903442  0.93972527  0.72378370
   0.65708109  0.13914758  1.00976335
   0.90356939  0.09398845  0.38779201
   0.65904924  0.41096578  0.12692129
   0.91002792  0.27357694  0.21214674
   0.65344999  0.16834575  0.49762153
   0.91207799  0.09784817  0.89531445
   0.60958213  0.41823345  0.61849978
   0.78265599  0.34205212  0.79699483
   0.65492682  0.65806244  0.00174125
   0.88738945  0.59753446  0.37341869
   0.57606668  0.90299259  0.12918553
   0.82370127  0.85421517  0.25632736
   0.63916821  0.66045376  0.48509952
   0.91217006  0.60625234  0.89473010
   0.64202224  0.92559574  0.65616921
   0.87759910  0.86270827  0.76962327
   0.13903878  0.04675879  0.11318912
   0.36169826  0.19286968  0.28845036
   0.15775230  0.30041440  0.05774209
   0.35373305  0.43136155  0.36778283
   0.56185128  0.36243978  0.22304010
   0.31164089  0.40995131  0.19413819
   0.32275065  0.12245819  0.47362930
   0.06299637  0.10445894  0.41300089
   0.11958209  0.04530720  0.58661767
   0.35499246  0.22551883  0.80274381
   0.19162822  0.29251189  0.53126594
   0.36039714  0.47062177  0.84913157
   0.47025786  0.38694811  0.66619982
   0.20841930  0.38152145  0.70801164
   0.33611305  0.16198131 -0.01244490
   0.04873969  0.17585840  0.93821541
   0.12516420  0.55616057  0.09464492
   0.34946615  0.67710833  0.27642047
   0.11131692  0.80957276  0.04735042
   0.38621212  0.93411365  0.34052353
   0.42035160  0.88774400  0.14945156
   0.17935410  0.85951704  0.24279153
   0.27378710  0.65076258  0.45960882
   0.04230196  0.61057882  0.39232368
   0.07213434  0.54026569  0.57217885
   0.35377351  0.71623966  0.79674883
   0.09124605  0.79827166  0.53690357
   0.36136221  0.98041134  0.84251020
   0.49127676  0.87412233  0.68286951
   0.20529506  0.86884808  0.71226652
   0.31345619  0.67406173 -0.01373859
   0.07720445  0.62710151  0.91324091
   0.59872994  0.06154839  0.10061621
   0.84846626  0.19619902  0.30620269
   0.65980223  0.30298857  0.03221259
   0.87399787  0.44002931  0.34064686
   0.04966389  0.35932169  0.21859142
   0.80447754  0.38949658  0.17028729
   0.81773197  0.14659366  0.47685385
   0.57061819  0.11806172  0.40318406
   0.62887610  0.07331035  0.59326972
   0.87745492  0.20810872  0.80734956
   0.62666950  0.32286273  0.52503027
   0.86602477  0.45849652  0.86068487
   0.97066407  0.31656849  0.62757639
   0.74338359  0.40027046  0.68825606
   0.80718110  0.07890338  0.98277951
   0.56856035  0.12302827  0.91347428
   0.61224533  0.55872426  0.09257527
   0.83053913  0.69338254  0.28298736
   0.64224426  0.81602768  0.04381782
   0.86152322  0.93611211  0.35955613
   0.92941824  0.88710372  0.17070762
   0.66284303  0.88065384  0.22816592
   0.79870691  0.63014141  0.46777486
   0.53567382  0.59648545  0.40899840
   0.60611304  0.57776546  0.58262404
   0.88794082  0.70392022  0.80270503
   0.60457216  0.81371229  0.47176240
   0.94009719  0.94702154  0.85697241
   0.94393604  0.89013071  0.66859313
   0.72690962  0.92509356  0.75408550
   0.80877513  0.64888189  0.97565213
   0.54947709  0.63741471  0.91871955
   0.68695594  0.82834373  0.60185692
   0.67434952  0.89004082  0.48356952
   0.91315039  0.20310483  0.11247839
   0.79110850  0.40613286  0.32231942
   0.35766595  0.05394890  0.65588353
   0.26162121  0.67952394  0.78421652
   0.03087395  1.15017687  0.23671056
   0.16337111  0.99994785 -0.03581198
   0.65220112  0.32602257  0.84611126
   0.89260903  0.36133435  0.59964921
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972241   -0.157704    0.018340
    -0.000000    9.938455    0.185715
    -0.000000   -0.000000   13.807294
   Si   O    H 
    32    64    10
Direct configuration=   203
   0.17249906  0.15135547  0.01243600
   0.40690997  0.08389127  0.37588954
   0.16370837  0.41287924  0.14409409
   0.41019213  0.34888338  0.27337723
   0.16700705  0.13919695  0.49647986
   0.40983911  0.12138988  0.88773205
   0.11444311  0.38754442  0.61018427
   0.35789340  0.37274959  0.75407157
   0.15570551  0.66433792  0.01010907
   0.37724016  0.59680155  0.37981243
   0.09201648  0.89613319  0.14945696
   0.34011224  0.83392369  0.24393440
   0.12492883  0.65143412  0.49197749
   0.39869058  0.62530132  0.89123142
   0.10146864  0.89785001  0.62539993
   0.34884721  0.93971403  0.72338054
   0.65780776  0.14009853  1.00978014
   0.90309638  0.09322449  0.38807066
   0.65690098  0.41214394  0.12626487
   0.90998755  0.27372081  0.21332203
   0.65442987  0.16775050  0.49741262
   0.91143743  0.09722740  0.89521415
   0.61141146  0.41938097  0.61785306
   0.78243830  0.34176282  0.79771226
   0.65368406  0.65870466  0.00205689
   0.88778325  0.59789656  0.37278463
   0.57698090  0.90432194  0.13004263
   0.82329771  0.85389773  0.25505067
   0.63671439  0.66058203  0.48507467
   0.91255190  0.60577712  0.89466996
   0.64031866  0.92587703  0.65655550
   0.87854680  0.86241045  0.76917297
   0.13911627  0.04763044  0.11257925
   0.36243859  0.19150411  0.28949571
   0.15620549  0.30136324  0.05813123
   0.35408032  0.43022436  0.36720126
   0.56151726  0.36377769  0.22426039
   0.31239886  0.41138124  0.19473879
   0.32372620  0.12291940  0.47285773
   0.06358813  0.10394772  0.41341958
   0.11898117  0.04507341  0.58670877
   0.35546915  0.22635396  0.80196407
   0.19059691  0.29257321  0.53186568
   0.36045465  0.47068386  0.84834502
   0.46959181  0.38831090  0.66736507
   0.20910395  0.38199579  0.70791792
   0.33639349  0.16152496 -0.01215370
   0.04944674  0.17567476  0.93690665
   0.12587406  0.55447160  0.09457615
   0.34873175  0.67746514  0.27662649
   0.11159425  0.81008752  0.04771520
   0.38725668  0.93374650  0.34129101
   0.42026022  0.88878630  0.14916089
   0.18078734  0.85860313  0.24343720
   0.27628819  0.65138351  0.46042760
   0.04249213  0.61107288  0.39136854
   0.07358106  0.54065967  0.57245041
   0.35302906  0.71622653  0.79532423
   0.09109296  0.79737576  0.53663912
   0.36202821  0.98040747  0.84173917
   0.49046664  0.87418606  0.68174943
   0.20435612  0.86646608  0.71145857
   0.31458541  0.67415781 -0.01499232
   0.07574755  0.62680589  0.91482586
   0.59840345  0.06198224  0.10026832
   0.84777667  0.19621194  0.30674646
   0.65835740  0.30602270  0.03067399
   0.87440641  0.43937795  0.33847986
   0.04905099  0.35924662  0.21820059
   0.80488012  0.39208692  0.17105398
   0.81834303  0.14719672  0.47687804
   0.57098353  0.11701252  0.40421206
   0.62930835  0.07512322  0.59498099
   0.87767351  0.20692215  0.80686582
   0.62546558  0.32235541  0.52516441
   0.86571597  0.45816673  0.85959501
   0.97144807  0.31729064  0.62645223
   0.74222582  0.39996266  0.68808607
   0.80658853  0.07793853  0.98315829
   0.56770860  0.12180501  0.91344466
   0.61280245  0.55967119  0.09258228
   0.83034515  0.69234051  0.28398484
   0.64339177  0.81405742  0.04507120
   0.86215058  0.93746948  0.36084546
   0.92913024  0.88786157  0.17122092
   0.66387508  0.87986764  0.22783254
   0.79985487  0.62957376  0.46777193
   0.53730077  0.59543742  0.40806509
   0.60499910  0.57767435  0.58225382
   0.88725175  0.70650380  0.80226677
   0.60222847  0.81354930  0.47124929
   0.93984734  0.94643184  0.85676636
   0.94233490  0.88983391  0.66844110
   0.72625233  0.92707526  0.75458611
   0.81165523  0.64940014  0.97459202
   0.54879015  0.63796125  0.91802770
   0.68788289  0.81905575  0.60426084
   0.67747745  0.87685986  0.48761288
   0.91504922  0.20834722  0.11749534
   0.79013310  0.40325546  0.32050547
   0.36469997  0.05549373  0.65868469
   0.26026649  0.67773244  0.78265877
   0.02515511  1.15755621  0.23550747
   0.17329916  1.00344778 -0.03873638
   0.65311289  0.32048647  0.84689066
   0.90302552  0.36322446  0.60285032
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972332   -0.154247    0.017117
    -0.000000    9.939835    0.188758
    -0.000000   -0.000000   13.807527
   Si   O    H 
    32    64    10
Direct configuration=   204
   0.17161019  0.15162171  0.01322568
   0.40727992  0.08358549  0.37601613
   0.16470924  0.41199553  0.14509919
   0.40938667  0.34849383  0.27227224
   0.16761697  0.13902804  0.49556175
   0.40980731  0.12201664  0.88696972
   0.11526593  0.38761642  0.61027950
   0.35761758  0.37298240  0.75467477
   0.15666567  0.66388786  0.00966593
   0.37769002  0.59780179  0.37983078
   0.09308614  0.89642305  0.14882394
   0.33959441  0.83406528  0.24398367
   0.12329325  0.65180476  0.49146330
   0.39707840  0.62545398  0.89161552
   0.10077072  0.89855198  0.62562438
   0.34855918  0.94021197  0.72341864
   0.65822325  0.14094778  1.00945641
   0.90277808  0.09254797  0.38844093
   0.65441927  0.41272635  0.12587775
   0.91045398  0.27437936  0.21383405
   0.65532526  0.16656163  0.49737800
   0.91105521  0.09637046  0.89497114
   0.61351349  0.42017863  0.61690478
   0.78183063  0.34154354  0.79840077
   0.65265498  0.65938618  0.00255169
   0.88810263  0.59784488  0.37222729
   0.57739721  0.90517880  0.13080628
   0.82249579  0.85340745  0.25406134
   0.63495598  0.66055967  0.48504235
   0.91329321  0.60577713  0.89430385
   0.63913422  0.92613654  0.65651586
   0.87933115  0.86222840  0.76833963
   0.13922262  0.04840458  0.11190488
   0.36320264  0.18945672  0.29015210
   0.15487937  0.30116291  0.05806213
   0.35436784  0.42877577  0.36717424
   0.56114568  0.36459750  0.22555833
   0.31301659  0.41247497  0.19587921
   0.32412154  0.12300601  0.47182163
   0.06349162  0.10442447  0.41385325
   0.11885377  0.04597639  0.58678830
   0.35617678  0.22638621  0.80122632
   0.18990205  0.29341472  0.53260735
   0.36107328  0.47099127  0.84728793
   0.46877096  0.38917725  0.66822174
   0.20885334  0.38269069  0.70830754
   0.33731011  0.16217695 -0.01168762
   0.04956197  0.17533628  0.93548846
   0.12629827  0.55375231  0.09527032
   0.34924808  0.67778316  0.27679820
   0.11197512  0.81048338  0.04845350
   0.38841785  0.93356751  0.34210047
   0.42013647  0.88911450  0.14835747
   0.18123735  0.85773955  0.24402031
   0.27964115  0.65224048  0.46106550
   0.04307247  0.61207321  0.39064182
   0.07447088  0.54100200  0.57252159
   0.35294715  0.71693564  0.79434975
   0.09198330  0.79528710  0.53626045
   0.36208840  0.98128253  0.84116102
   0.48912329  0.87401045  0.68115735
   0.20346787  0.86452405  0.71085740
   0.31554005  0.67364829 -0.01596280
   0.07333298  0.62656145  0.91599430
   0.59815149  0.06276762  0.10012300
   0.84695603  0.19588107  0.30686896
   0.65724866  0.30883027  0.02908945
   0.87554338  0.43984933  0.33692261
   0.04808413  0.35966878  0.21861161
   0.80490798  0.39477820  0.17152849
   0.81792998  0.14690638  0.47725226
   0.57103174  0.11609890  0.40542427
   0.62872967  0.07632964  0.59687296
   0.87770951  0.20618793  0.80633576
   0.62465642  0.32227452  0.52533369
   0.86441100  0.45742199  0.85819008
   0.97371430  0.31795695  0.62584798
   0.74149009  0.40031266  0.68813378
   0.80591065  0.07624773  0.98313617
   0.56773876  0.12026916  0.91352292
   0.61316658  0.56108236  0.09246808
   0.83024923  0.69102167  0.28514456
   0.64376663  0.81270045  0.04627758
   0.86292904  0.93910790  0.36121144
   0.92922049  0.88822403  0.17216817
   0.66521480  0.87922357  0.22759849
   0.80065625  0.62862775  0.46787994
   0.53765568  0.59501001  0.40707202
   0.60284006  0.57578133  0.58255770
   0.88662762  0.70825431  0.80213192
   0.59938763  0.81494540  0.47086217
   0.93993552  0.94534038  0.85689884
   0.94174199  0.88959782  0.66807613
   0.72586766  0.92866106  0.75525969
   0.81473452  0.65059691  0.97406953
   0.54795583  0.63872799  0.91718413
   0.69461708  0.80658467  0.60480624
   0.67476636  0.86206055  0.48868121
   0.91652470  0.21074672  0.12143872
   0.78043919  0.40057857  0.31923357
   0.36967407  0.06041843  0.65997872
   0.26158080  0.68066584  0.78190541
   0.02521722  1.16474867  0.23069981
   0.18213732  1.00589590 -0.04018134
   0.65466948  0.31392695  0.84928921
   0.89528049  0.37436665  0.59727699
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.971764   -0.150924    0.016375
    -0.000000    9.941009    0.191800
    -0.000000   -0.000000   13.807927
   Si   O    H 
    32    64    10
Direct configuration=   205
   0.17095687  0.15157166  0.01423901
   0.40852395  0.08290220  0.37584428
   0.16537670  0.41092993  0.14585014
   0.40820116  0.34771796  0.27150228
   0.16836054  0.13831056  0.49524326
   0.40940202  0.12311875  0.88620582
   0.11664379  0.38775222  0.61030618
   0.35802978  0.37353263  0.75520171
   0.15755459  0.66398153  0.00910525
   0.37845535  0.59817444  0.37962466
   0.09384219  0.89656433  0.14822070
   0.33942056  0.83452138  0.24440353
   0.12234878  0.65165676  0.49133623
   0.39510378  0.62540098  0.89149226
   0.10003008  0.89971196  0.62556705
   0.34885333  0.94053677  0.72331707
   0.65851284  0.14183095  1.00912886
   0.90294272  0.09251024  0.38883592
   0.65240972  0.41233933  0.12567505
   0.91031705  0.27508410  0.21412792
   0.65620756  0.16600068  0.49729995
   0.91116119  0.09530056  0.89392021
   0.61541058  0.42112917  0.61573724
   0.78201564  0.34109198  0.79918221
   0.65187656  0.66069208  0.00285752
   0.88792469  0.59743372  0.37172375
   0.57752961  0.90581662  0.13190511
   0.82162969  0.85255841  0.25394807
   0.63333390  0.65989330  0.48473865
   0.91450777  0.60536355  0.89312082
   0.63826457  0.92662718  0.65640780
   0.87920743  0.86190523  0.76805580
   0.13893237  0.04897515  0.11151985
   0.36386555  0.18746662  0.29058135
   0.15396403  0.30146758  0.05817182
   0.35478496  0.42746094  0.36701558
   0.56117900  0.36594616  0.22675559
   0.31304043  0.41306979  0.19624008
   0.32502846  0.12237094  0.47089940
   0.06299720  0.10450487  0.41422800
   0.11912958  0.04704223  0.58662961
   0.35738947  0.22548067  0.80029419
   0.18866265  0.29438816  0.53284884
   0.36183377  0.47146989  0.84641419
   0.46791737  0.38963395  0.66889286
   0.20879918  0.38345796  0.70849881
   0.33749219  0.16289462 -0.01143420
   0.04920524  0.17461996  0.93367096
   0.12652764  0.55333756  0.09617308
   0.35059361  0.67786776  0.27676606
   0.11180079  0.81006247  0.04864166
   0.38895494  0.93286053  0.34233846
   0.42038759  0.88899765  0.14759145
   0.18169331  0.85722214  0.24381269
   0.28194687  0.65257196  0.46207065
   0.04458299  0.61348901  0.39022480
   0.07538618  0.54058331  0.57294221
   0.35194866  0.71691715  0.79343782
   0.09255103  0.79290601  0.53521257
   0.36222017  0.98208289  0.84061701
   0.48739810  0.87449872  0.68102661
   0.20365367  0.86206575  0.71015404
   0.31606708  0.67263158 -0.01655324
   0.07089113  0.62514484  0.91674248
   0.59797106  0.06308493  0.10069119
   0.84486543  0.19511421  0.30636782
   0.65546449  0.31121376  0.02764400
   0.87641452  0.43982433  0.33484666
   0.04733605  0.35984028  0.21900108
   0.80429891  0.39603161  0.17285981
   0.81779714  0.14641432  0.47807647
   0.57085060  0.11588734  0.40646875
   0.62785972  0.07732226  0.59868970
   0.87699774  0.20510127  0.80590123
   0.62377299  0.32174816  0.52568346
   0.86379689  0.45630049  0.85640634
   0.97477837  0.31930595  0.62588277
   0.74131656  0.40091733  0.68793434
   0.80527914  0.07643890  0.98266845
   0.56903636  0.11930315  0.91378815
   0.61339682  0.56184978  0.09273651
   0.82977920  0.69026331  0.28647990
   0.64415991  0.81134044  0.04745181
   0.86354883  0.94003150  0.36127065
   0.93018820  0.88838622  0.17338993
   0.66717575  0.87862242  0.22810419
   0.80101472  0.62825979  0.46814283
   0.53748734  0.59373914  0.40651901
   0.60123082  0.57454152  0.58235513
   0.88559132  0.70970673  0.80178917
   0.59623589  0.81599296  0.46969844
   0.94072808  0.94573998  0.85709537
   0.94193114  0.88920175  0.66687615
   0.72559315  0.93024495  0.75592702
   0.81567483  0.65102799  0.97330498
   0.54784102  0.64032920  0.91668584
   0.70279743  0.80035892  0.60920003
   0.68739968  0.86074134  0.49282084
   0.91685402  0.21038714  0.12364930
   0.78150752  0.40444447  0.31846949
   0.37384905  0.06598465  0.66176063
   0.26396249  0.68591164  0.78088008
   0.02754992  1.16459300  0.22659796
   0.19082494  1.00701940 -0.04367768
   0.65850438  0.31027942  0.85164374
   0.89578750  0.37747973  0.59793383
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.971564   -0.147756    0.015564
    -0.000000    9.941974    0.194725
    -0.000000   -0.000000   13.807961
   Si   O    H 
    32    64    10
Direct configuration=   206
   0.17060092  0.15177185  0.01526655
   0.40973574  0.08226151  0.37573628
   0.16576458  0.41071811  0.14643130
   0.40766495  0.34701557  0.27098042
   0.16895028  0.13797340  0.49486772
   0.40896000  0.12421149  0.88549844
   0.11855307  0.38810803  0.61100473
   0.35853864  0.37388553  0.75577296
   0.15855735  0.66362273  0.00905595
   0.37893829  0.59861591  0.37931679
   0.09437578  0.89719404  0.14774310
   0.33874211  0.83552268  0.24502144
   0.12134427  0.65122289  0.49054818
   0.39388113  0.62490376  0.89117645
   0.09938940  0.90070446  0.62541435
   0.34977458  0.94081453  0.72329666
   0.65905707  0.14314759  1.00833071
   0.90273704  0.09236668  0.38894457
   0.65089377  0.41166072  0.12580962
   0.91040955  0.27610181  0.21449115
   0.65717069  0.16592749  0.49772220
   0.91082207  0.09451097  0.89279793
   0.61710575  0.42171903  0.61536055
   0.78230442  0.34088633  0.80018729
   0.65125679  0.66220841  0.00296379
   0.88784880  0.59608971  0.37156661
   0.57829446  0.90593379  0.13267458
   0.82082434  0.85179686  0.25429615
   0.63201572  0.65883621  0.48415608
   0.91549944  0.60481970  0.89187903
   0.63797167  0.92723230  0.65603230
   0.87836004  0.86182056  0.76796453
   0.13824385  0.04877648  0.11066508
   0.36467840  0.18574929  0.29067482
   0.15307332  0.30188912  0.05880750
   0.35590540  0.42701953  0.36738856
   0.56184996  0.36757265  0.22719567
   0.31292814  0.41244051  0.19587262
   0.32561742  0.12098812  0.46963379
   0.06198686  0.10559487  0.41412229
   0.11975501  0.04834538  0.58619657
   0.35884427  0.22417760  0.79971729
   0.18802193  0.29511112  0.53333016
   0.36293637  0.47210092  0.84617802
   0.46625561  0.38977262  0.66992409
   0.20900841  0.38423433  0.70899500
   0.33774367  0.16374869 -0.01151062
   0.04897616  0.17308437  0.93204171
   0.12636278  0.55297525  0.09694963
   0.35239911  0.67763116  0.27684882
   0.11165795  0.80977306  0.04877345
   0.38946773  0.93181686  0.34168962
   0.42079858  0.88886629  0.14719989
   0.18145189  0.85711024  0.24310051
   0.28398230  0.65314546  0.46291227
   0.04619012  0.61561335  0.38999155
   0.07677601  0.54013843  0.57366588
   0.35150712  0.71710383  0.79316757
   0.09379324  0.79147701  0.53469642
   0.36164282  0.98200290  0.83979983
   0.48645385  0.87504064  0.68087948
   0.20403893  0.85991930  0.70884904
   0.31593743  0.67211994 -0.01712728
   0.06772096  0.62445870  0.91720578
   0.59724271  0.06313496  0.10085792
   0.84273895  0.19437691  0.30550340
   0.65417449  0.31341146  0.02668095
   0.87637976  0.43901330  0.33304293
   0.04771474  0.36123890  0.21970091
   0.80306574  0.39667741  0.17402469
   0.81648173  0.14597017  0.47901286
   0.57041858  0.11575916  0.40692442
   0.62735993  0.07812795  0.60037405
   0.87666841  0.20332955  0.80521873
   0.62372727  0.32129260  0.52553751
   0.86388808  0.45536779  0.85484882
   0.97500055  0.32038367  0.62606070
   0.74034368  0.40201160  0.68787619
   0.80411329  0.07630206  0.98229547
   0.57096759  0.11872750  0.91385299
   0.61321099  0.56248304  0.09289932
   0.82915020  0.69037417  0.28778931
   0.64452377  0.80986151  0.04850374
   0.86426786  0.94080419  0.36042397
   0.93138515  0.88805692  0.17486135
   0.66922682  0.87795675  0.22842310
   0.80087864  0.62809901  0.46860765
   0.53616331  0.59286593  0.40594159
   0.60038426  0.57469188  0.58190280
   0.88486501  0.71129738  0.80193327
   0.59287662  0.81647494  0.46830687
   0.94085634  0.94648472  0.85698538
   0.94305915  0.88982577  0.66595068
   0.72495744  0.93218729  0.75638911
   0.81519197  0.65163352  0.97257427
   0.54824816  0.64188688  0.91590564
   0.70946328  0.79965033  0.61449943
   0.68936533  0.85933976  0.49283630
   0.91311198  0.20695942  0.11767792
   0.78949910  0.41725751  0.31828127
   0.37549577  0.06900533  0.66458911
   0.25765902  0.69039281  0.77742187
   0.03156757  1.16083631  0.22263101
   0.19921543  1.00633783 -0.04429236
   0.66012128  0.30864703  0.85200852
   0.90561920  0.37536134  0.60046879
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.970724   -0.145007    0.014878
    -0.000000    9.943485    0.197185
    -0.000000   -0.000000   13.808161
   Si   O    H 
    32    64    10
Direct configuration=   207
   0.17065116  0.15137332  0.01645017
   0.41088090  0.08180364  0.37587093
   0.16586360  0.40965253  0.14706631
   0.40716714  0.34618575  0.27037179
   0.16946752  0.13827822  0.49484830
   0.40900583  0.12532300  0.88494670
   0.12114662  0.38859509  0.61160483
   0.35834319  0.37389332  0.75617261
   0.15917422  0.66361843  0.00938561
   0.37916350  0.59778051  0.37907175
   0.09443132  0.89791726  0.14680454
   0.33859070  0.83749739  0.24603914
   0.12070509  0.65124393  0.48987023
   0.39233645  0.62401491  0.89083069
   0.09845926  0.90064745  0.62498948
   0.35072513  0.94120363  0.72372126
   0.65916532  0.14419604  1.00751282
   0.90190105  0.09302708  0.38860140
   0.65000688  0.41129472  0.12595062
   0.91021671  0.27737836  0.21458338
   0.65789196  0.16519186  0.49821731
   0.91114120  0.09503149  0.89169400
   0.61841927  0.42250234  0.61543920
   0.78256329  0.34047072  0.80125918
   0.65103061  0.66424656  0.00330147
   0.88816873  0.59417802  0.37151176
   0.57937184  0.90690496  0.13352762
   0.82000424  0.85099751  0.25477572
   0.63093200  0.65852963  0.48325891
   0.91606813  0.60421718  0.89046075
   0.63820582  0.92780740  0.65565372
   0.87716459  0.86172453  0.76783708
   0.13764165  0.04911705  0.10978095
   0.36564762  0.18433028  0.29086493
   0.15239818  0.30185641  0.05971708
   0.35714535  0.42697340  0.36762232
   0.56229127  0.36976602  0.22800297
   0.31203573  0.41218781  0.19491283
   0.32680919  0.11912043  0.46828057
   0.06193555  0.10621329  0.41374514
   0.11974782  0.05083182  0.58564722
   0.36030594  0.22337689  0.79939282
   0.18730668  0.29578111  0.53354068
   0.36423114  0.47319834  0.84630899
   0.46447806  0.39039385  0.67119776
   0.20920424  0.38442289  0.70948306
   0.33804205  0.16420794 -0.01154850
   0.04913138  0.17108163  0.93019392
   0.12629667  0.55306533  0.09754094
   0.35356900  0.67624494  0.27702902
   0.11161860  0.80891719  0.04904227
   0.38952128  0.93194974  0.34055081
   0.42126934  0.88899121  0.14676801
   0.18104100  0.85726886  0.24196037
   0.28462152  0.65327315  0.46369892
   0.04764593  0.61799976  0.38933644
   0.07848718  0.54005775  0.57474469
   0.35141912  0.71784754  0.79316693
   0.09495214  0.79081480  0.53454943
   0.36118122  0.98224178  0.83912980
   0.48610584  0.87525069  0.68057190
   0.20480933  0.85870896  0.70758888
   0.31550744  0.67123043 -0.01731387
   0.06562167  0.62299985  0.91818257
   0.59626239  0.06327700  0.10126561
   0.84097470  0.19429934  0.30500933
   0.65261253  0.31589166  0.02553727
   0.87758924  0.43797994  0.33156156
   0.04796853  0.36266675  0.22058846
   0.80176246  0.39778503  0.17482748
   0.81534534  0.14459647  0.47969966
   0.56942767  0.11550945  0.40748819
   0.62674032  0.07901722  0.60215204
   0.87580774  0.20181091  0.80479692
   0.62374048  0.32133153  0.52464897
   0.86460504  0.45549088  0.85395115
   0.97551881  0.32093866  0.62656005
   0.73986753  0.40187858  0.68741564
   0.80325920  0.07636316  0.98273124
   0.57206461  0.11750445  0.91398133
   0.61301014  0.56371677  0.09368849
   0.82762531  0.69073106  0.28868521
   0.64395763  0.80969341  0.04886310
   0.86506558  0.94099228  0.36007730
   0.93241279  0.88771778  0.17583901
   0.67115409  0.87744474  0.22861239
   0.80046493  0.62785345  0.46930375
   0.53453090  0.59119253  0.40455521
   0.60045364  0.57525191  0.58185264
   0.88356229  0.71125284  0.80179600
   0.59094922  0.81798387  0.46804554
   0.94123142  0.94615404  0.85672335
   0.94447683  0.89019471  0.66386618
   0.72466475  0.93311252  0.75707227
   0.81441790  0.65218592  0.97196137
   0.54852679  0.64353530  0.91510601
   0.71087144  0.80705155  0.61903580
   0.67986659  0.85930615  0.49007358
   0.90425255  0.20596073  0.11169827
   0.78433839  0.42548762  0.31712894
   0.37235271  0.07115178  0.66803124
   0.25627830  0.69558264  0.77355820
   0.03412973  1.15703115  0.21943675
   0.20384716  1.00470411 -0.04222841
   0.65938628  0.30746619  0.85170075
   0.90870560  0.37315115  0.60298286
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.969815   -0.141842    0.014502
    -0.000000    9.945036    0.199797
    -0.000000   -0.000000   13.808740
   Si   O    H 
    32    64    10
Direct configuration=   208
   0.17142637  0.15183277  0.01731754
   0.41192909  0.08177597  0.37515295
   0.16577976  0.40906378  0.14737340
   0.40725048  0.34533657  0.26969179
   0.17000192  0.13874188  0.49500472
   0.40917896  0.12623362  0.88458323
   0.12358773  0.38879020  0.61237134
   0.35765177  0.37399089  0.75652658
   0.15975870  0.66389201  0.01013011
   0.37925482  0.59694534  0.37850952
   0.09409966  0.89901899  0.14575242
   0.33837217  0.83957859  0.24713560
   0.12068533  0.65137627  0.48909608
   0.39068083  0.62312417  0.89015358
   0.09704350  0.90065533  0.62480676
   0.35120714  0.94083180  0.72433106
   0.65937146  0.14553539  1.00738170
   0.90146708  0.09329824  0.38800907
   0.64964538  0.41075917  0.12644266
   0.91067064  0.27936496  0.21467840
   0.65801011  0.16508021  0.49909470
   0.91165472  0.09598768  0.89053855
   0.61931476  0.42361225  0.61576630
   0.78323171  0.33979879  0.80214642
   0.65189076  0.66603474  0.00326748
   0.88760309  0.59183387  0.37156800
   0.58087227  0.90740634  0.13418423
   0.82013088  0.85026057  0.25553557
   0.63086521  0.65817158  0.48225144
   0.91559070  0.60327737  0.88892132
   0.63838767  0.92826929  0.65551617
   0.87573023  0.86187167  0.76743460
   0.13717104  0.04950661  0.10834579
   0.36726834  0.18435837  0.29040214
   0.15216985  0.30243196  0.06024490
   0.35843590  0.42748809  0.36807052
   0.56256756  0.37188837  0.22860822
   0.31115080  0.41276304  0.19372703
   0.32774465  0.11666497  0.46678081
   0.06145187  0.10671693  0.41324059
   0.11896443  0.05275452  0.58471782
   0.36110163  0.22246212  0.79957092
   0.18709590  0.29665842  0.53340504
   0.36548938  0.47455922  0.84685779
   0.46339545  0.39133476  0.67225357
   0.20996911  0.38411488  0.71004764
   0.33896821  0.16438983 -0.01187315
   0.04919542  0.16851200  0.92828631
   0.12579939  0.55369585  0.09749676
   0.35484444  0.67532118  0.27688964
   0.11178743  0.80797092  0.04883367
   0.38972696  0.93137550  0.33963112
   0.42147190  0.88883459  0.14598274
   0.17947075  0.85757269  0.24153564
   0.28541319  0.65293055  0.46424779
   0.04933843  0.62020795  0.38881371
   0.08038486  0.54029842  0.57567801
   0.35118671  0.71811086  0.79358860
   0.09604271  0.79142303  0.53479236
   0.36017755  0.98153840  0.83876547
   0.48571433  0.87542451  0.68016665
   0.20600769  0.85811679  0.70589235
   0.31471539  0.66968454 -0.01715629
   0.06421046  0.62147495  0.91966802
   0.59636350  0.06355113  0.10124131
   0.83955613  0.19420466  0.30407523
   0.64953886  0.31809680  0.02517745
   0.87929776  0.43683928  0.33080808
   0.04797916  0.36406645  0.22223561
   0.80004579  0.39826636  0.17507710
   0.81396562  0.14272155  0.48064075
   0.56778096  0.11538858  0.40820630
   0.62622931  0.07988468  0.60362371
   0.87418504  0.20072589  0.80460593
   0.62414407  0.32144649  0.52381782
   0.86581263  0.45618318  0.85324515
   0.97688770  0.32107883  0.62699216
   0.73986101  0.40157130  0.68687145
   0.80210383  0.07648437  0.98356348
   0.57273422  0.11639970  0.91344359
   0.61201377  0.56485059  0.09461819
   0.82553693  0.69111851  0.28898638
   0.64307100  0.80963704  0.04977743
   0.86488648  0.94095111  0.35923396
   0.93351655  0.88772354  0.17672959
   0.67214022  0.87792115  0.22824603
   0.80022849  0.62798640  0.46943150
   0.53377481  0.58938783  0.40350228
   0.60000671  0.57626359  0.58219178
   0.88260853  0.71054178  0.80087228
   0.58943790  0.81906503  0.46806734
   0.94186223  0.94498622  0.85708350
   0.94612112  0.89180647  0.66264674
   0.72430907  0.93362490  0.75768817
   0.81323675  0.65358210  0.97166738
   0.54790865  0.64487711  0.91482106
   0.71010107  0.81903820  0.61967344
   0.67103171  0.86014077  0.48858667
   0.89586185  0.20815214  0.10801622
   0.77664118  0.43243479  0.31461876
   0.36699630  0.06905856  0.67382676
   0.26334728  0.70440154  0.76879445
   0.03310628  1.15670778  0.21864395
   0.20874781  1.00323344 -0.03790655
   0.65186293  0.30542689  0.85217308
   0.90046336  0.38066428  0.60144029
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968975   -0.138241    0.013968
    -0.000000    9.946184    0.202987
    -0.000000   -0.000000   13.809449
   Si   O    H 
    32    64    10
Direct configuration=   209
   0.17138909  0.15227508  0.01731098
   0.41376841  0.08185310  0.37439665
   0.16584299  0.40891498  0.14734699
   0.40700960  0.34468010  0.26923688
   0.17013686  0.13950752  0.49528972
   0.40996028  0.12657894  0.88417914
   0.12533272  0.38911814  0.61347726
   0.35790364  0.37408623  0.75673291
   0.15997522  0.66409174  0.01116444
   0.37917539  0.59574959  0.37816533
   0.09356107  0.90044096  0.14491773
   0.33869801  0.84091846  0.24894811
   0.12107257  0.65139419  0.48841345
   0.38940455  0.62244136  0.88975620
   0.09627543  0.90007344  0.62436741
   0.35126184  0.94070760  0.72485549
   0.65927580  0.14630046  1.00759703
   0.90048462  0.09414120  0.38732068
   0.64923859  0.41007895  0.12719056
   0.91100435  0.28097078  0.21449703
   0.65739172  0.16523853  0.50004320
   0.91299911  0.09703489  0.88959330
   0.61917417  0.42412586  0.61693466
   0.78389964  0.33875702  0.80269043
   0.65298247  0.66764842  0.00308689
   0.88705540  0.59044867  0.37167390
   0.58231084  0.90778458  0.13443582
   0.82041267  0.84930156  0.25699547
   0.63088265  0.65752489  0.48088049
   0.91487787  0.60183122  0.88731929
   0.63834025  0.92915785  0.65559979
   0.87417834  0.86171518  0.76647966
   0.13651198  0.05017486  0.10684695
   0.36835093  0.18408741  0.29031023
   0.15200470  0.30312778  0.06014590
   0.35968016  0.42789684  0.36837495
   0.56271673  0.37356443  0.22878500
   0.31048947  0.41289197  0.19235422
   0.32775766  0.11482021  0.46653826
   0.06103405  0.10721028  0.41222877
   0.11854562  0.05384386  0.58417444
   0.36215335  0.22177528  0.79929074
   0.18709132  0.29643297  0.53251982
   0.36700565  0.47554412  0.84766760
   0.46167097  0.39204505  0.67300338
   0.21012708  0.38453927  0.71052455
   0.33933827  0.16477103 -0.01222237
   0.04922971  0.16569438  0.92678082
   0.12489945  0.55511948  0.09709798
   0.35568047  0.67472417  0.27615598
   0.11232143  0.80722749  0.04880903
   0.38948793  0.93010938  0.33824807
   0.42136501  0.88823282  0.14561516
   0.17747447  0.85746716  0.24066419
   0.28641278  0.65240870  0.46491451
   0.05108753  0.62283891  0.38852529
   0.08290159  0.54049065  0.57610750
   0.35048043  0.71811117  0.79439295
   0.09658983  0.79226952  0.53491122
   0.35921593  0.98048290  0.83837338
   0.48589634  0.87556818  0.67958684
   0.20755684  0.85805821  0.70435744
   0.31397984  0.66808204 -0.01723933
   0.06312505  0.62001156  0.92087820
   0.59571996  0.06335703  0.10084137
   0.83863340  0.19346807  0.30340900
   0.64682881  0.32004508  0.02444867
   0.88046118  0.43639752  0.33100694
   0.04930058  0.36583936  0.22333686
   0.79840557  0.39866421  0.17481807
   0.81284308  0.14209837  0.48180504
   0.56639886  0.11629963  0.40900335
   0.62506318  0.07970961  0.60434716
   0.87347594  0.20020948  0.80449098
   0.62403460  0.32198139  0.52279057
   0.86633192  0.45775217  0.85293516
   0.97741953  0.32079103  0.62668500
   0.74089954  0.39996973  0.68607763
   0.80051298  0.07656753  0.98383818
   0.57330670  0.11518681  0.91306324
   0.61097681  0.56600845  0.09568876
   0.82302128  0.69256263  0.28840233
   0.64201578  0.80942514  0.05053085
   0.86416498  0.94110417  0.35769882
   0.93404627  0.88750587  0.17697630
   0.67224942  0.87918616  0.22786495
   0.79937033  0.62771436  0.46928164
   0.53394071  0.58781699  0.40214026
   0.59927120  0.57795131  0.58246752
   0.88186804  0.70949569  0.79988935
   0.58806337  0.81901772  0.46782419
   0.94203154  0.94392133  0.85760220
   0.94726561  0.89240799  0.66192597
   0.72436492  0.93425541  0.75800216
   0.81183603  0.65476495  0.97125758
   0.54789023  0.64664139  0.91524743
   0.71396074  0.83043310  0.61573784
   0.67509683  0.87057396  0.49021536
   0.88669663  0.21367150  0.10868630
   0.77432714  0.43831949  0.31221404
   0.35917241  0.06398587  0.67791986
   0.26506246  0.70829522  0.76252006
   0.03011851  1.16082472  0.21705473
   0.20937454  1.00087186 -0.03466304
   0.64690823  0.31052570  0.85102118
   0.89916565  0.38386841  0.60268953
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968728   -0.134768    0.013859
    -0.000000    9.947645    0.205716
    -0.000000   -0.000000   13.810560
   Si   O    H 
    32    64    10
Direct configuration=   210
   0.17161617  0.15246822  0.01709190
   0.41575592  0.08142067  0.37398523
   0.16552814  0.40919077  0.14693358
   0.40669068  0.34364833  0.26929564
   0.17027791  0.14009416  0.49589296
   0.41107985  0.12679845  0.88400206
   0.12686053  0.38933995  0.61415478
   0.35822348  0.37432983  0.75728452
   0.16025396  0.66376477  0.01239785
   0.37921482  0.59390410  0.37785193
   0.09342894  0.90112801  0.14402752
   0.33840536  0.84240850  0.25069639
   0.12159883  0.65136665  0.48820298
   0.38871774  0.62223375  0.88901493
   0.09533243  0.89989527  0.62396729
   0.35160924  0.93995506  0.72566190
   0.65864231  0.14706453  1.00794902
   0.89934785  0.09466897  0.38665843
   0.64892849  0.40917482  0.12806343
   0.91108776  0.28244515  0.21418891
   0.65628151  0.16596470  0.50139559
   0.91422218  0.09807335  0.88938024
   0.61883790  0.42433446  0.61801581
   0.78465948  0.33787361  0.80320607
   0.65428825  0.66956742  0.00287428
   0.88677991  0.58908465  0.37183056
   0.58391590  0.90803520  0.13432887
   0.82062756  0.84773265  0.25899669
   0.63078453  0.65695411  0.47970709
   0.91312366  0.60058904  0.88586919
   0.63770523  0.93002618  0.65570430
   0.87314576  0.86204670  0.76519565
   0.13565031  0.05060407  0.10546235
   0.36972442  0.18385923  0.28958167
   0.15242061  0.30372550  0.06024452
   0.36085635  0.42814692  0.36821691
   0.56228212  0.37541750  0.22892386
   0.30960485  0.41290862  0.19097969
   0.32693489  0.11283219  0.46595862
   0.05971850  0.10772943  0.41063770
   0.11780884  0.05371908  0.58438856
   0.36367310  0.22064657  0.79896631
   0.18685348  0.29694116  0.53119267
   0.36793551  0.47628555  0.84835889
   0.46090800  0.39253623  0.67320944
   0.20946364  0.38486442  0.71015507
   0.33972067  0.16575616 -0.01268595
   0.05062773  0.16286090  0.92579847
   0.12483547  0.55643412  0.09624590
   0.35608591  0.67514927  0.27477375
   0.11223411  0.80727568  0.04969035
   0.38891240  0.92919523  0.33727774
   0.42130775  0.88755991  0.14532605
   0.17532717  0.85799155  0.24043805
   0.28681581  0.65229533  0.46566834
   0.05226758  0.62488405  0.38813890
   0.08554388  0.54035385  0.57595245
   0.34913004  0.71855333  0.79530386
   0.09709496  0.79317369  0.53485896
   0.35852746  0.97969027  0.83814910
   0.48631681  0.87567033  0.67865955
   0.20886010  0.85836498  0.70302670
   0.31350299  0.66593145 -0.01712786
   0.06226821  0.61907901  0.92190961
   0.59497731  0.06281889  0.09965033
   0.83723250  0.19288027  0.30317601
   0.64433239  0.32177015  0.02376074
   0.87965276  0.43607560  0.33038012
   0.05064639  0.36711035  0.22394950
   0.79630347  0.39931940  0.17498299
   0.81232324  0.14201300  0.48256716
   0.56618471  0.11705616  0.40941642
   0.62429918  0.07994934  0.60482658
   0.87258498  0.19923557  0.80501706
   0.62399724  0.32255748  0.52161694
   0.86755083  0.45893562  0.85266511
   0.97756091  0.32136372  0.62615476
   0.74193407  0.39873044  0.68589338
   0.79961556  0.07704665  0.98374828
   0.57299439  0.11376210  0.91248577
   0.60938774  0.56651280  0.09653223
   0.82004675  0.69420639  0.28791526
   0.64163488  0.81000283  0.05142935
   0.86389298  0.94138217  0.35618169
   0.93490408  0.88754980  0.17711722
   0.67284517  0.88036869  0.22715733
   0.79864030  0.62757155  0.46926343
   0.53483533  0.58744896  0.40116302
   0.59996193  0.57944084  0.58288064
   0.88141204  0.70801635  0.79922094
   0.58746677  0.81973886  0.46789499
   0.94201760  0.94300426  0.85814409
   0.94777006  0.89281038  0.66184425
   0.72525972  0.93489781  0.75832058
   0.81152348  0.65521921  0.97103470
   0.54852184  0.64842320  0.91604535
   0.72447848  0.83302858  0.60890615
   0.67362452  0.88011467  0.49033748
   0.88180147  0.21738462  0.11180152
   0.78692901  0.44331257  0.31152652
   0.34954293  0.07197458  0.67944911
   0.26386970  0.71531537  0.75831878
   0.02241822  1.16651520  0.21279785
   0.20707874  0.99863740 -0.03184331
   0.64913900  0.31750667  0.84808342
   0.90456216  0.38001433  0.60500844
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968308   -0.131533    0.013974
    -0.000000    9.948991    0.208838
    -0.000000   -0.000000   13.811891
   Si   O    H 
    32    64    10
Direct configuration=   211
   0.17176068  0.15342714  0.01673694
   0.41783188  0.08107852  0.37348851
   0.16480734  0.40976725  0.14609536
   0.40669427  0.34228783  0.26984426
   0.17081585  0.14139644  0.49655590
   0.41266183  0.12663838  0.88367625
   0.12804403  0.38931818  0.61456996
   0.35818586  0.37465025  0.75778663
   0.15997574  0.66275361  0.01342726
   0.37922491  0.59193491  0.37775198
   0.09307385  0.90144249  0.14338134
   0.33756132  0.84364774  0.25185355
   0.12308738  0.65142329  0.48846290
   0.38857950  0.62157294  0.88833594
   0.09445704  0.90010831  0.62322351
   0.35189815  0.93920537  0.72633244
   0.65771419  0.14771746  1.00824313
   0.89777140  0.09517721  0.38592808
   0.64830639  0.40870990  0.12892926
   0.91150068  0.28416071  0.21414254
   0.65535141  0.16680940  0.50269407
   0.91511535  0.09891844  0.88943992
   0.61815445  0.42422763  0.61870344
   0.78551643  0.33784291  0.80362142
   0.65520953  0.67130887  0.00274349
   0.88694775  0.58844206  0.37169764
   0.58543762  0.90842293  0.13380574
   0.82122542  0.84684877  0.26046785
   0.63059692  0.65670875  0.47867516
   0.91131674  0.59980726  0.88467898
   0.63703893  0.93074634  0.65549900
   0.87213877  0.86263638  0.76431929
   0.13457990  0.05156848  0.10404944
   0.37127304  0.18387492  0.28905131
   0.15354709  0.30406545  0.05985026
   0.36150342  0.42802825  0.36766716
   0.56178612  0.37766173  0.22935705
   0.30886969  0.41354887  0.18941634
   0.32638353  0.11023239  0.46566550
   0.05787861  0.10882085  0.40876564
   0.11702608  0.05337227  0.58457514
   0.36567231  0.22054037  0.79884060
   0.18610915  0.29711204  0.52974740
   0.36936324  0.47647671  0.84952066
   0.46092057  0.39301296  0.67342605
   0.21013872  0.38475913  0.71032701
   0.34002353  0.16681107 -0.01309103
   0.05229459  0.16014870  0.92551608
   0.12489618  0.55713891  0.09535451
   0.35643896  0.67605861  0.27353975
   0.11158255  0.80699280  0.04996067
   0.38861238  0.92830959  0.33740426
   0.42109041  0.88698569  0.14547579
   0.17400263  0.85869985  0.23955871
   0.28728435  0.65142638  0.46694655
   0.05239976  0.62680377  0.38745862
   0.08826626  0.54073424  0.57613812
   0.34816781  0.71842282  0.79604364
   0.09752187  0.79497421  0.53510721
   0.35778838  0.97907315  0.83894152
   0.48701696  0.87588731  0.67749176
   0.21012087  0.85840713  0.70176940
   0.31248324  0.66370035 -0.01707742
   0.06265549  0.61802987  0.92302036
   0.59430404  0.06242601  0.09870342
   0.83569491  0.19247614  0.30286822
   0.64290001  0.32265276  0.02292971
   0.87834852  0.43606536  0.32981770
   0.05208863  0.36792059  0.22477569
   0.79458831  0.39930590  0.17555450
   0.81245091  0.14201220  0.48346361
   0.56594308  0.11809815  0.40984685
   0.62428031  0.07999179  0.60492401
   0.87121242  0.19828137  0.80500716
   0.62413275  0.32328439  0.52069309
   0.86768244  0.45977440  0.85234941
   0.97746090  0.32214738  0.62579338
   0.74406098  0.39760009  0.68609748
   0.79920343  0.07703260  0.98313121
   0.57169617  0.11184804  0.91203180
   0.60859550  0.56623100  0.09713575
   0.81744013  0.69446594  0.28787356
   0.64027360  0.81057808  0.05320593
   0.86402189  0.94156957  0.35482854
   0.93545168  0.88773196  0.17717997
   0.67266984  0.88138393  0.22663841
   0.79752242  0.62662006  0.46917345
   0.53560004  0.58801513  0.40002969
   0.59983063  0.58179177  0.58316344
   0.88111869  0.70631016  0.79861013
   0.58776375  0.81946914  0.46774060
   0.94189128  0.94125846  0.85891431
   0.94757113  0.89320482  0.66214789
   0.72556587  0.93526044  0.75873192
   0.81180437  0.65648483  0.97118261
   0.54827728  0.65043511  0.91673782
   0.73222935  0.83554470  0.60264967
   0.66120798  0.88617623  0.48815528
   0.87764107  0.22117112  0.11726586
   0.79229417  0.44567943  0.30662349
   0.34395221  0.07821440  0.67942232
   0.26408446  0.72558138  0.75273075
   0.01552473  1.17202448  0.21022608
   0.19999637  0.99358573 -0.02904516
   0.65142959  0.32306833  0.84597698
   0.90720888  0.37756180  0.60762537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968103   -0.128810    0.013881
    -0.000000    9.950148    0.212321
    -0.000000   -0.000000   13.812901
   Si   O    H 
    32    64    10
Direct configuration=   212
   0.17225722  0.15416865  0.01636631
   0.41995339  0.08084174  0.37279315
   0.16408020  0.41109566  0.14525014
   0.40666189  0.34126086  0.27043577
   0.17104133  0.14231929  0.49667134
   0.41450202  0.12606721  0.88363899
   0.12855961  0.38923882  0.61475722
   0.35826298  0.37512399  0.75843079
   0.15978059  0.66226574  0.01429921
   0.37892184  0.58940794  0.37743931
   0.09254402  0.90150903  0.14233901
   0.33699638  0.84427801  0.25239215
   0.12485353  0.65170846  0.48917215
   0.38864344  0.62111591  0.88761049
   0.09367814  0.89989106  0.62244843
   0.35213152  0.93843442  0.72696134
   0.65732465  0.14830216  1.00851186
   0.89685474  0.09542043  0.38555646
   0.64692690  0.40866429  0.12965789
   0.91136903  0.28556435  0.21389285
   0.65418264  0.16746757  0.50413623
   0.91606111  0.09892490  0.88966060
   0.61708437  0.42390079  0.61873113
   0.78604210  0.33762434  0.80384335
   0.65617617  0.67325841  0.00317072
   0.88773203  0.58758773  0.37165954
   0.58672033  0.90936521  0.13372043
   0.82176222  0.84690513  0.26151003
   0.63047433  0.65648517  0.47789848
   0.90984335  0.59976936  0.88390121
   0.63626159  0.93077431  0.65521803
   0.87108245  0.86388964  0.76352815
   0.13362622  0.05263431  0.10326663
   0.37287831  0.18434608  0.28851395
   0.15473080  0.30415150  0.05911630
   0.36225110  0.42771090  0.36666428
   0.56130286  0.37980490  0.22981777
   0.30843838  0.41409625  0.18834605
   0.32525942  0.10771368  0.46462421
   0.05729825  0.11028016  0.40740168
   0.11660730  0.05228161  0.58479664
   0.36760108  0.22088922  0.79868576
   0.18649353  0.29756910  0.52796001
   0.37040696  0.47571865  0.85021912
   0.46175789  0.39354054  0.67252406
   0.21157172  0.38404697  0.71054912
   0.34017756  0.16799781 -0.01342846
   0.05548256  0.15758250  0.92621667
   0.12500837  0.55732068  0.09481290
   0.35611213  0.67711840  0.27213255
   0.11137301  0.80644083  0.05062914
   0.38829337  0.92826417  0.33814319
   0.42052727  0.88568988  0.14662667
   0.17251875  0.85935782  0.23816224
   0.28778259  0.65055429  0.46756062
   0.05101612  0.62843962  0.38704428
   0.09173627  0.54274517  0.57598360
   0.34638612  0.71807783  0.79629489
   0.09768485  0.79704148  0.53541872
   0.35678365  0.97788093  0.83973146
   0.48818040  0.87508244  0.67638286
   0.21108554  0.85851096  0.70034251
   0.31153213  0.66164045 -0.01670904
   0.06316501  0.61647235  0.92312581
   0.59396207  0.06244689  0.09773283
   0.83457898  0.19300486  0.30260235
   0.64144726  0.32311237  0.02224645
   0.87809059  0.43665761  0.32995709
   0.05397102  0.36914684  0.22605785
   0.79341739  0.39901749  0.17595453
   0.81324148  0.14165556  0.48391492
   0.56587599  0.11917127  0.40971294
   0.62421028  0.08031836  0.60489040
   0.86900095  0.19892888  0.80415121
   0.62323593  0.32370716  0.52040296
   0.86709939  0.45978821  0.85244479
   0.97773384  0.32278160  0.62566246
   0.74638974  0.39589382  0.68676049
   0.79849231  0.07676055  0.98214723
   0.56965653  0.11100120  0.91145551
   0.60807503  0.56530271  0.09740495
   0.81566585  0.69378089  0.28842990
   0.63922843  0.81128337  0.05488265
   0.86417160  0.94144469  0.35390942
   0.93552134  0.88723868  0.17699531
   0.67233801  0.88248465  0.22638512
   0.79724520  0.62563059  0.46903852
   0.53692365  0.58842468  0.39907917
   0.59950293  0.58325514  0.58405098
   0.88135679  0.70568512  0.79758112
   0.58854397  0.81952700  0.46770193
   0.94254589  0.93966255  0.85966302
   0.94707797  0.89341826  0.66295234
   0.72539903  0.93497008  0.75912205
   0.81193377  0.65741416  0.97141878
   0.54800236  0.65208310  0.91723462
   0.73886632  0.84389930  0.59684985
   0.64937409  0.88738732  0.48641404
   0.87283595  0.22555669  0.12086088
   0.78716670  0.44425372  0.29871498
   0.33918936  0.07498828  0.67917930
   0.26610614  0.72730883  0.74936928
   0.01343843  1.17526766  0.20734844
   0.19251538  0.98833331 -0.03083029
   0.65322797  0.32871281  0.84300173
   0.90058365  0.38303187  0.60692185
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968213   -0.126100    0.013302
    -0.000000    9.951354    0.215366
    -0.000000   -0.000000   13.813471
   Si   O    H 
    32    64    10
Direct configuration=   213
   0.17247527  0.15496014  0.01612879
   0.42169925  0.08096629  0.37219658
   0.16331161  0.41235340  0.14439040
   0.40629586  0.34073011  0.27083448
   0.17111608  0.14331835  0.49667155
   0.41587362  0.12488291  0.88396089
   0.12794584  0.38949666  0.61485268
   0.35822406  0.37543942  0.75917306
   0.15904553  0.66193719  0.01462722
   0.37906547  0.58753525  0.37744478
   0.09172052  0.90122696  0.14161177
   0.33650838  0.84427212  0.25221638
   0.12658412  0.65215242  0.49017122
   0.38910963  0.62146460  0.88690132
   0.09301369  0.90013875  0.62161451
   0.35248719  0.93829692  0.72738078
   0.65717219  0.14910204  1.00908905
   0.89529166  0.09588874  0.38512494
   0.64593763  0.40865345  0.13049652
   0.91111977  0.28703501  0.21395703
   0.65325711  0.16800442  0.50546039
   0.91634828  0.09858200  0.88962920
   0.61656331  0.42363480  0.61871313
   0.78697879  0.33723210  0.80419029
   0.65712105  0.67466842  0.00330487
   0.88845861  0.58681517  0.37200758
   0.58737305  0.90986226  0.13379088
   0.82205482  0.84744624  0.26227813
   0.63072812  0.65622946  0.47735190
   0.90894407  0.59987022  0.88272630
   0.63511725  0.93073650  0.65458770
   0.87040746  0.86492330  0.76366849
   0.13248046  0.05310280  0.10275867
   0.37429600  0.18435940  0.28743265
   0.15543890  0.30364190  0.05796584
   0.36305535  0.42727877  0.36559950
   0.56026543  0.38127745  0.23000346
   0.30846086  0.41437858  0.18778941
   0.32297440  0.10562088  0.46340291
   0.05652667  0.11093104  0.40600703
   0.11592357  0.05101247  0.58515370
   0.36933377  0.22161520  0.79858452
   0.18760144  0.29753871  0.52644733
   0.37200760  0.47404517  0.85073118
   0.46317008  0.39459351  0.67146990
   0.21416039  0.38408008  0.71081578
   0.34039279  0.16897847 -0.01364971
   0.05770102  0.15447376  0.92745442
   0.12523988  0.55765399  0.09455213
   0.35664024  0.67835855  0.27118275
   0.11096188  0.80595577  0.05085442
   0.38817776  0.92853423  0.33876909
   0.42016855  0.88437694  0.14835319
   0.17281473  0.85965706  0.23683382
   0.28807631  0.64871438  0.46776690
   0.04918195  0.63014811  0.38690014
   0.09512012  0.54474460  0.57544113
   0.34524358  0.71745993  0.79634110
   0.09806775  0.79857078  0.53537669
   0.35596636  0.97738755  0.84071626
   0.48943909  0.87478135  0.67574357
   0.21186518  0.85880379  0.69897478
   0.31071484  0.65980074 -0.01653965
   0.06325438  0.61579627  0.92383280
   0.59340517  0.06237996  0.09728213
   0.83361797  0.19390398  0.30270880
   0.64049032  0.32291787  0.02149592
   0.87852156  0.43803464  0.32933896
   0.05545726  0.37034342  0.22769788
   0.79290434  0.39789800  0.17616993
   0.81401530  0.14163485  0.48373828
   0.56648099  0.12025425  0.41035986
   0.62412870  0.08109655  0.60499084
   0.86687230  0.20064826  0.80326533
   0.62277616  0.32391079  0.52020553
   0.86619079  0.45977980  0.85274037
   0.97777016  0.32414173  0.62592337
   0.74893355  0.39335256  0.68746389
   0.79848008  0.07717535  0.98076261
   0.56753616  0.10978055  0.91077294
   0.60706465  0.56438178  0.09757704
   0.81408622  0.69223487  0.28908721
   0.63874501  0.81183148  0.05620034
   0.86415707  0.94187849  0.35291645
   0.93588778  0.88649944  0.17647436
   0.67178806  0.88358062  0.22640699
   0.79721986  0.62458522  0.46896346
   0.53853697  0.58922059  0.39838587
   0.59990595  0.58589049  0.58466778
   0.88207388  0.70565339  0.79665914
   0.58816333  0.81827447  0.46807770
   0.94283200  0.93781333  0.85970281
   0.94688361  0.89361723  0.66436039
   0.72516596  0.93537601  0.75982551
   0.81279318  0.65818154  0.97128140
   0.54725293  0.65377195  0.91830675
   0.74094199  0.84998423  0.59257889
   0.65190649  0.89675510  0.48609642
   0.86929404  0.22864457  0.12042772
   0.78536270  0.44104109  0.29397482
   0.33467212  0.06883051  0.68022933
   0.26686603  0.72251541  0.74772678
   0.01507427  1.17555089  0.20436892
   0.19265909  0.99039201 -0.03230915
   0.64982184  0.33091620  0.84297374
   0.89911913  0.38174422  0.60934300
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968286   -0.123717    0.012654
    -0.000000    9.952362    0.218447
    -0.000000   -0.000000   13.813963
   Si   O    H 
    32    64    10
Direct configuration=   214
   0.17251406  0.15641220  0.01616102
   0.42272914  0.08067327  0.37133688
   0.16238229  0.41364171  0.14340027
   0.40637900  0.34077879  0.27129316
   0.17081815  0.14419236  0.49683809
   0.41594692  0.12453343  0.88439850
   0.12684896  0.38975239  0.61502950
   0.35848487  0.37594684  0.75987527
   0.15853373  0.66166503  0.01483118
   0.37894158  0.58608750  0.37746067
   0.09066410  0.90130011  0.14065593
   0.33575121  0.84345828  0.25160756
   0.12788457  0.65220535  0.49139834
   0.38967451  0.62239236  0.88624804
   0.09211564  0.90094524  0.62112106
   0.35257168  0.93851224  0.72789942
   0.65697968  0.14973911  1.00961653
   0.89322316  0.09549879  0.38471779
   0.64443147  0.40826692  0.13107544
   0.90995583  0.28783995  0.21392530
   0.65267545  0.16877591  0.50614492
   0.91641400  0.09819005  0.88995072
   0.61566556  0.42399040  0.61834047
   0.78700423  0.33669846  0.80401350
   0.65664884  0.67502877  0.00344513
   0.88923543  0.58687381  0.37191916
   0.58797993  0.91078301  0.13395535
   0.82242408  0.84784963  0.26287200
   0.63061369  0.65635962  0.47667825
   0.90886680  0.60045788  0.88249747
   0.63486056  0.93053358  0.65391120
   0.86954772  0.86625507  0.76418114
   0.13117078  0.05353016  0.10257879
   0.37551268  0.18411423  0.28662758
   0.15557158  0.30421463  0.05733826
   0.36372554  0.42679683  0.36409949
   0.55868186  0.38195378  0.22985339
   0.30916727  0.41489701  0.18731056
   0.32140228  0.10359905  0.46196413
   0.05576036  0.11199271  0.40513000
   0.11517148  0.05057992  0.58571849
   0.37072892  0.22265515  0.79810133
   0.18924084  0.29761172  0.52544072
   0.37303681  0.47208900  0.85138444
   0.46535592  0.39492312  0.67038531
   0.21606333  0.38487557  0.71146225
   0.34047590  0.16986755 -0.01332649
   0.05949141  0.15155103  0.92867084
   0.12531027  0.55769635  0.09446166
   0.35739139  0.67919336  0.27053031
   0.11114275  0.80640029  0.05076501
   0.38889531  0.92972468  0.33971788
   0.42034871  0.88330641  0.14986527
   0.17297900  0.86045996  0.23592327
   0.29003975  0.64709395  0.46773491
   0.04631004  0.63172524  0.38700138
   0.09896463  0.54482321  0.57513798
   0.34407522  0.71722381  0.79612399
   0.09834440  0.79946485  0.53566127
   0.35508535  0.97646159  0.84200102
   0.48974822  0.87441660  0.67477287
   0.21307303  0.85912191  0.69772378
   0.31009361  0.65867864 -0.01682394
   0.06283937  0.61658813  0.92505158
   0.59223627  0.06253700  0.09692115
   0.83320337  0.19534026  0.30273127
   0.63962827  0.32229913  0.02090358
   0.87821898  0.43986538  0.32884061
   0.05660214  0.37088300  0.22919592
   0.79254256  0.39804629  0.17618450
   0.81462323  0.14176092  0.48294332
   0.56716616  0.12091325  0.41106056
   0.62462357  0.08200748  0.60515867
   0.86548249  0.20192781  0.80304850
   0.62217058  0.32358558  0.51969289
   0.86448395  0.45860434  0.85292096
   0.97750290  0.32466408  0.62655211
   0.75078841  0.39098420  0.68853004
   0.79928858  0.07844550  0.97883944
   0.56570341  0.10830951  0.91070072
   0.60671235  0.56381984  0.09708307
   0.81259120  0.69004167  0.28986500
   0.63810994  0.81253044  0.05735037
   0.86455861  0.94215981  0.35173717
   0.93611297  0.88597677  0.17614578
   0.67131475  0.88381652  0.22723785
   0.79705272  0.62401606  0.46781617
   0.54007613  0.59086572  0.39762770
   0.60060652  0.58863859  0.58542805
   0.88298408  0.70597888  0.79547658
   0.58874201  0.81749510  0.46828007
   0.94351633  0.93699264  0.85905192
   0.94608171  0.89337839  0.66587631
   0.72496597  0.93589136  0.76049764
   0.81285995  0.65903015  0.97095464
   0.54669584  0.65507246  0.91883920
   0.73761357  0.85874822  0.59172552
   0.65213106  0.90028144  0.48350981
   0.86995108  0.22711415  0.11772868
   0.79120172  0.43509480  0.29132263
   0.33048777  0.06249038  0.67961605
   0.26726026  0.71663211  0.75018480
   0.01795506  1.16955688  0.19814781
   0.19489954  0.99278656 -0.03561078
   0.64544643  0.33449954  0.84345385
   0.90275416  0.37542133  0.61230196
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968113   -0.121872    0.012379
    -0.000000    9.953506    0.221496
    -0.000000   -0.000000   13.814752
   Si   O    H 
    32    64    10
Direct configuration=   215
   0.17257970  0.15809807  0.01594753
   0.42370041  0.08025567  0.37060594
   0.16137680  0.41535881  0.14214196
   0.40615897  0.34141452  0.27196856
   0.16974321  0.14503301  0.49664041
   0.41576835  0.12378234  0.88451087
   0.12581911  0.38990130  0.61492371
   0.35904240  0.37597109  0.76042327
   0.15779086  0.66209590  0.01516707
   0.37964266  0.58464281  0.37783558
   0.08901646  0.90197306  0.13952204
   0.33560729  0.84257495  0.25119615
   0.12913713  0.65284718  0.49253079
   0.39096493  0.62327471  0.88583638
   0.09199634  0.90116010  0.62052885
   0.35265692  0.93839631  0.72845614
   0.65638960  0.15013152  1.00954287
   0.89166837  0.09498541  0.38453414
   0.64270297  0.40846757  0.13140262
   0.90876357  0.28834746  0.21387274
   0.65255251  0.17017944  0.50624533
   0.91610059  0.09757838  0.89071956
   0.61438128  0.42450127  0.61830505
   0.78643590  0.33667829  0.80404028
   0.65565990  0.67518368  0.00381249
   0.88966233  0.58713715  0.37166229
   0.58790525  0.91131015  0.13420162
   0.82276831  0.84762443  0.26352480
   0.63149292  0.65640438  0.47605216
   0.90938018  0.60110888  0.88241953
   0.63496742  0.93056176  0.65359624
   0.86899172  0.86706543  0.76531156
   0.12870072  0.05380626  0.10251611
   0.37735507  0.18378015  0.28626115
   0.15454681  0.30487098  0.05612297
   0.36444649  0.42618841  0.36318884
   0.55664975  0.38182611  0.23021994
   0.30929086  0.41567289  0.18739598
   0.32005985  0.10100790  0.46127972
   0.05561276  0.11354580  0.40539786
   0.11425345  0.05104434  0.58581646
   0.37258482  0.22401403  0.79720468
   0.19048466  0.29787225  0.52479849
   0.37348047  0.46976112  0.85184779
   0.46731073  0.39543723  0.66929546
   0.21720295  0.38634587  0.71186074
   0.34082381  0.17039697 -0.01307065
   0.06037732  0.14894637  0.93024099
   0.12534254  0.55763603  0.09483964
   0.35836921  0.68053381  0.27022081
   0.11174414  0.80567306  0.05115758
   0.39034120  0.93063096  0.34030949
   0.42105976  0.88299974  0.15173374
   0.17395009  0.86102454  0.23607198
   0.29163621  0.64580185  0.46722045
   0.04456414  0.63257320  0.38728597
   0.10268236  0.54448723  0.57525465
   0.34336750  0.71776501  0.79627043
   0.09832263  0.79994174  0.53625092
   0.35497787  0.97599887  0.84334523
   0.48895112  0.87371166  0.67377627
   0.21413725  0.85876272  0.69673554
   0.30949627  0.65755948 -0.01669318
   0.06222194  0.61759572  0.92561604
   0.59185825  0.06288601  0.09719176
   0.83320825  0.19759557  0.30270880
   0.63956664  0.32120667  0.02071672
   0.87799888  0.44094623  0.32828031
   0.05751057  0.37117237  0.22998194
   0.79240244  0.39748245  0.17625272
   0.81438867  0.14133597  0.48212004
   0.56792725  0.12114293  0.41250355
   0.62475520  0.08222702  0.60507663
   0.86420766  0.20278450  0.80246546
   0.62123490  0.32482335  0.51925455
   0.86288322  0.45738320  0.85289585
   0.97775109  0.32527149  0.62706470
   0.75229129  0.38928051  0.68882534
   0.80041148  0.07974592  0.97655703
   0.56435652  0.10669954  0.91078274
   0.60648301  0.56337354  0.09634358
   0.81105446  0.68792987  0.29043974
   0.63784889  0.81225298  0.05835279
   0.86514382  0.94236782  0.35053806
   0.93631615  0.88573620  0.17639311
   0.67211131  0.88379494  0.22890141
   0.79654844  0.62386526  0.46701072
   0.54166705  0.59242068  0.39676869
   0.60101781  0.59005391  0.58567691
   0.88415015  0.70675063  0.79429763
   0.58947572  0.81628198  0.46827977
   0.94418531  0.93687082  0.85801441
   0.94476541  0.89352321  0.66700289
   0.72360560  0.93548038  0.76126628
   0.81314638  0.66016923  0.97032382
   0.54626889  0.65624758  0.91925888
   0.73245435  0.86548686  0.59461349
   0.64635161  0.89568413  0.48032738
   0.87208466  0.22970776  0.11305070
   0.79908657  0.43421798  0.29257600
   0.32745848  0.06184878  0.67720690
   0.26546866  0.70782836  0.75188092
   0.02213472  1.16567849  0.19085151
   0.20162271  0.99193741 -0.03815725
   0.64268020  0.33678252  0.84157613
   0.89453096  0.37958613  0.61257499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967999   -0.120918    0.012064
    -0.000000    9.954562    0.223929
    -0.000000   -0.000000   13.815218
   Si   O    H 
    32    64    10
Direct configuration=   216
   0.17284365  0.16017378  0.01507806
   0.42476099  0.08033980  0.37022772
   0.16085584  0.41680275  0.14136730
   0.40563710  0.34194152  0.27227279
   0.16879610  0.14571587  0.49625743
   0.41541797  0.12353603  0.88451200
   0.12510536  0.39022029  0.61425012
   0.36008420  0.37597391  0.76122878
   0.15688684  0.66252549  0.01495497
   0.37971497  0.58420844  0.37773602
   0.08776510  0.90225968  0.13855090
   0.33569922  0.84149937  0.25079734
   0.13021763  0.65333549  0.49351164
   0.39230558  0.62437472  0.88578700
   0.09201400  0.90128630  0.62057778
   0.35297062  0.93807732  0.72916024
   0.65634031  0.14993270  1.00932398
   0.89040534  0.09495017  0.38422021
   0.64075538  0.40958334  0.13149551
   0.90783722  0.28797621  0.21396653
   0.65263845  0.17153583  0.50637410
   0.91579857  0.09671473  0.89127234
   0.61305696  0.42490730  0.61819937
   0.78526395  0.33705310  0.80425602
   0.65474249  0.67513877  0.00444739
   0.88938956  0.58773816  0.37115953
   0.58734455  0.91121528  0.13452569
   0.82315698  0.84789156  0.26421273
   0.63239208  0.65685586  0.47553355
   0.90954020  0.60213447  0.88242064
   0.63509694  0.93019525  0.65327960
   0.86862057  0.86823806  0.76620963
   0.12693277  0.05468915  0.10243173
   0.37957262  0.18355108  0.28630228
   0.15429001  0.30579885  0.05502147
   0.36520753  0.42630428  0.36231520
   0.55524652  0.38105257  0.23027014
   0.30978883  0.41616289  0.18747351
   0.31842345  0.09876045  0.46104527
   0.05545512  0.11492644  0.40603130
   0.11411061  0.05169255  0.58589357
   0.37486878  0.22590295  0.79600760
   0.19230933  0.29866864  0.52472446
   0.37297368  0.46747180  0.85228309
   0.46899650  0.39656762  0.66925150
   0.21693932  0.38843616  0.71188814
   0.34110887  0.17124687 -0.01326948
   0.06148839  0.14717396  0.93119975
   0.12516525  0.55708085  0.09565330
   0.35996638  0.68134518  0.27091671
   0.11202531  0.80607573  0.05147860
   0.39120270  0.93139605  0.34096849
   0.42168846  0.88328764  0.15358815
   0.17470844  0.86105918  0.23665971
   0.29228553  0.64395217  0.46685113
   0.04288828  0.63386137  0.38814765
   0.10604203  0.54379290  0.57521021
   0.34314420  0.71951808  0.79635255
   0.09777565  0.79992481  0.53623994
   0.35469032  0.97597305  0.84481459
   0.48782795  0.87272908  0.67331747
   0.21447023  0.85794282  0.69548794
   0.30886829  0.65749176 -0.01679051
   0.06167353  0.61920938  0.92562056
   0.59197725  0.06268711  0.09749750
   0.83367620  0.19936207  0.30238109
   0.63988185  0.31996850  0.02093044
   0.87828783  0.44241685  0.32766698
   0.05755580  0.37091800  0.23030020
   0.79181890  0.39735498  0.17586872
   0.81396853  0.14108041  0.48185345
   0.56871291  0.12133006  0.41424485
   0.62489844  0.08250189  0.60481308
   0.86385297  0.20320828  0.80256400
   0.62060745  0.32746738  0.51885187
   0.86192985  0.45640677  0.85341611
   0.97790855  0.32493405  0.62785030
   0.75297222  0.38864428  0.68870824
   0.80113853  0.08102429  0.97407341
   0.56407558  0.10509226  0.91127250
   0.60582593  0.56323960  0.09554501
   0.80990914  0.68683732  0.29135019
   0.63797829  0.81135508  0.05902336
   0.86566688  0.94285057  0.34925253
   0.93519334  0.88540555  0.17654213
   0.67313221  0.88420546  0.23101210
   0.79613716  0.62398874  0.46622641
   0.54237550  0.59283990  0.39509904
   0.60208830  0.59144872  0.58560689
   0.88479038  0.70782270  0.79315086
   0.59063158  0.81499508  0.46810769
   0.94480723  0.93655050  0.85711365
   0.94355360  0.89406824  0.66747202
   0.72319476  0.93517605  0.76159696
   0.81323778  0.66063379  0.96930510
   0.54578616  0.65802346  0.91906567
   0.73069887  0.87167460  0.59446593
   0.64637556  0.89099094  0.47823640
   0.87667267  0.22931084  0.10863846
   0.79592155  0.43653383  0.29704805
   0.32277515  0.06338873  0.67343323
   0.26591190  0.69680565  0.75494750
   0.02561916  1.16529391  0.18373072
   0.20850355  0.99283916 -0.03881541
   0.64195835  0.33818721  0.84369066
   0.89255710  0.37839294  0.61051426
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967782   -0.119796    0.011436
    -0.000000    9.955846    0.226400
    -0.000000   -0.000000   13.815663
   Si   O    H 
    32    64    10
Direct configuration=   217
   0.17338966  0.16253489  0.01396283
   0.42569609  0.08052823  0.37002021
   0.16073235  0.41753298  0.14053581
   0.40569358  0.34314151  0.27190713
   0.16841479  0.14691533  0.49552333
   0.41442943  0.12294517  0.88472226
   0.12443210  0.39003376  0.61394554
   0.36179941  0.37542810  0.76176198
   0.15634811  0.66305748  0.01490011
   0.37978290  0.58391489  0.37765913
   0.08694720  0.90269120  0.13799644
   0.33631992  0.84037201  0.25010816
   0.13155893  0.65449190  0.49442824
   0.39339552  0.62492530  0.88545448
   0.09222554  0.90127116  0.62079646
   0.35348807  0.93746082  0.72977692
   0.65653698  0.14952446  1.00890878
   0.88965596  0.09599962  0.38407884
   0.63852421  0.41070616  0.13142190
   0.90702862  0.28723789  0.21388478
   0.65334039  0.17256166  0.50635568
   0.91518872  0.09551047  0.89153736
   0.61214616  0.42565265  0.61810496
   0.78350921  0.33802296  0.80473961
   0.65376476  0.67450190  0.00507910
   0.88897171  0.58859831  0.37062070
   0.58694426  0.91073100  0.13476692
   0.82406746  0.84877613  0.26453576
   0.63332587  0.65726246  0.47567575
   0.90941647  0.60345286  0.88242782
   0.63532876  0.93031464  0.65347425
   0.86776659  0.86843361  0.76679721
   0.12446993  0.05621361  0.10249330
   0.38163860  0.18355270  0.28642986
   0.15410602  0.30707489  0.05378679
   0.36613870  0.42625854  0.36183791
   0.55332981  0.38092769  0.23051501
   0.31104883  0.41638258  0.18784319
   0.31694861  0.09704344  0.46112542
   0.05468639  0.11641677  0.40725538
   0.11446505  0.05296794  0.58591676
   0.37604909  0.22645122  0.79477125
   0.19406776  0.29982041  0.52464613
   0.37292857  0.46555968  0.85269831
   0.46982823  0.39744758  0.66913046
   0.21673888  0.39053201  0.71174018
   0.34100444  0.17242797 -0.01366167
   0.06288261  0.14557389  0.93227553
   0.12580638  0.55566635  0.09658720
   0.36151408  0.68153837  0.27144647
   0.11302849  0.80727060  0.05138016
   0.39153085  0.93175991  0.34152770
   0.42242093  0.88364623  0.15516989
   0.17536283  0.86153553  0.23755590
   0.29205053  0.64256671  0.46618074
   0.04093388  0.63508481  0.38898996
   0.10855000  0.54279714  0.57512145
   0.34255861  0.72090396  0.79641091
   0.09730624  0.79857234  0.53641052
   0.35377849  0.97609173  0.84623256
   0.48655737  0.87143868  0.67269968
   0.21384813  0.85611915  0.69381827
   0.30915161  0.65740342 -0.01644798
   0.06113798  0.62079139  0.92531235
   0.59325147  0.06273754  0.09751970
   0.83494640  0.20102649  0.30166522
   0.63976776  0.31739979  0.02109010
   0.87785669  0.44367765  0.32730031
   0.05782199  0.37033178  0.23041026
   0.79031640  0.39674411  0.17474612
   0.81290020  0.13982627  0.48196837
   0.56999920  0.12097939  0.41600251
   0.62474338  0.08250219  0.60427643
   0.86431468  0.20258705  0.80294527
   0.61996113  0.33071036  0.51849026
   0.86068186  0.45519157  0.85396041
   0.97830165  0.32423587  0.62857069
   0.75309716  0.38785629  0.68859059
   0.80164998  0.08220495  0.97220414
   0.56583324  0.10393240  0.91119469
   0.60473734  0.56344234  0.09461604
   0.80939109  0.68587420  0.29169241
   0.63829241  0.80992749  0.05930442
   0.86546833  0.94361784  0.34813975
   0.93388890  0.88480713  0.17646794
   0.67351748  0.88518628  0.23308605
   0.79568620  0.62451060  0.46565385
   0.54241156  0.59368142  0.39301892
   0.60262582  0.59275376  0.58495637
   0.88506973  0.70865557  0.79220647
   0.59199802  0.81381408  0.46775174
   0.94525554  0.93622540  0.85604588
   0.94264575  0.89489874  0.66743992
   0.72149385  0.93428004  0.76113665
   0.81284129  0.66125536  0.96827860
   0.54477024  0.65974424  0.91870559
   0.73080855  0.86913944  0.59065859
   0.65458784  0.89048765  0.47830730
   0.88183159  0.23430815  0.10703431
   0.78432563  0.44012441  0.30352900
   0.32280223  0.06732508  0.67147316
   0.26444516  0.68799691  0.75624805
   0.02443186  1.16732822  0.18128574
   0.21468943  0.99354803 -0.03830846
   0.64414187  0.33589179  0.84418426
   0.89857336  0.37451944  0.60998516
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967135   -0.118255    0.010479
    -0.000000    9.957245    0.228908
    -0.000000   -0.000000   13.815985
   Si   O    H 
    32    64    10
Direct configuration=   218
   0.17390093  0.16432957  0.01275099
   0.42640360  0.08082561  0.37009012
   0.16007474  0.41766431  0.13996167
   0.40512550  0.34417876  0.27103411
   0.16798702  0.14787433  0.49452949
   0.41333251  0.12292532  0.88479850
   0.12411846  0.38981952  0.61379070
   0.36285659  0.37514926  0.76205172
   0.15553903  0.66372704  0.01477615
   0.37999426  0.58342196  0.37727195
   0.08575717  0.90301482  0.13753136
   0.33676747  0.83928615  0.24951637
   0.13271563  0.65589554  0.49502107
   0.39342910  0.62532819  0.88520637
   0.09263055  0.90119913  0.62156112
   0.35417366  0.93689790  0.73009443
   0.65681453  0.14874868  1.00825969
   0.88881921  0.09794916  0.38399484
   0.63655987  0.41157890  0.13125105
   0.90655874  0.28683079  0.21364114
   0.65441329  0.17419690  0.50673499
   0.91536634  0.09455557  0.89136421
   0.61111488  0.42616111  0.61852604
   0.78132260  0.33931984  0.80513228
   0.65324227  0.67421468  0.00570790
   0.88874186  0.58967234  0.37037524
   0.58611572  0.91087311  0.13536220
   0.82457739  0.84954968  0.26457834
   0.63416926  0.65794567  0.47598764
   0.90923658  0.60498336  0.88232366
   0.63513046  0.93086028  0.65390478
   0.86717274  0.86897627  0.76717005
   0.12265844  0.05746670  0.10298831
   0.38279404  0.18348533  0.28628413
   0.15417245  0.30826543  0.05307839
   0.36618093  0.42654525  0.36222981
   0.55137331  0.38069857  0.23034627
   0.31221161  0.41651066  0.18769706
   0.31566881  0.09556411  0.46147006
   0.05390465  0.11793415  0.40854217
   0.11495574  0.05510512  0.58617183
   0.37709995  0.22672711  0.79420930
   0.19460001  0.30144577  0.52415980
   0.37252915  0.46440784  0.85318334
   0.47087940  0.39839231  0.66940324
   0.21562404  0.39258398  0.71116089
   0.34036639  0.17375288 -0.01418375
   0.06331448  0.14349523  0.93276502
   0.12591959  0.55477123  0.09719990
   0.36270948  0.68088972  0.27250397
   0.11355840  0.80836200  0.05124438
   0.39178829  0.93194307  0.34150854
   0.42285735  0.88402806  0.15712186
   0.17719212  0.86183566  0.23809959
   0.29170229  0.64223158  0.46566476
   0.04018575  0.63719157  0.39034655
   0.10976461  0.54256788  0.57520953
   0.34300761  0.72182188  0.79572284
   0.09682198  0.79696742  0.53641089
   0.35318245  0.97629664  0.84744417
   0.48484548  0.87107187  0.67225723
   0.21291103  0.85406040  0.69276879
   0.30888579  0.65736664 -0.01544305
   0.06031317  0.62203342  0.92516744
   0.59495133  0.06388276  0.09737882
   0.83623316  0.20349762  0.30082191
   0.64016972  0.31411814  0.02139851
   0.87757315  0.44340410  0.32725888
   0.05773329  0.36979610  0.23038180
   0.78989585  0.39624796  0.17382713
   0.81212587  0.13835623  0.48257131
   0.57112518  0.11985134  0.41744227
   0.62490482  0.08194107  0.60407636
   0.86495333  0.20163440  0.80339067
   0.61982757  0.33442400  0.51862104
   0.86089043  0.45360906  0.85472925
   0.97861575  0.32345965  0.62904734
   0.75296638  0.38662862  0.68781019
   0.80093726  0.08292106  0.97122176
   0.56747197  0.10230293  0.91124025
   0.60459297  0.56357423  0.09350138
   0.80978688  0.68556785  0.29181886
   0.63930082  0.80856831  0.05887735
   0.86557234  0.94521665  0.34736066
   0.93278067  0.88431877  0.17606248
   0.67336480  0.88489058  0.23425679
   0.79511729  0.62515498  0.46535926
   0.54205937  0.59476432  0.39104955
   0.60278329  0.59280817  0.58430414
   0.88535534  0.70876101  0.79213970
   0.59317226  0.81302964  0.46721408
   0.94549057  0.93610028  0.85524978
   0.94154751  0.89541982  0.66653711
   0.71863725  0.93306309  0.76019386
   0.81174009  0.66210607  0.96727946
   0.54404015  0.66194361  0.91857308
   0.72895011  0.86747889  0.58663459
   0.66204504  0.88620714  0.47880200
   0.88024324  0.24359384  0.10524869
   0.77319593  0.44410405  0.30951059
   0.32736303  0.06773932  0.67050105
   0.26608171  0.68490636  0.75856237
   0.02077896  1.17226021  0.17990168
   0.21760635  0.99163178 -0.03541416
   0.64565552  0.33286015  0.84403264
   0.90134016  0.37475629  0.60915834
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.966911   -0.116579    0.009427
    -0.000000    9.958500    0.231456
    -0.000000   -0.000000   13.816504
   Si   O    H 
    32    64    10
Direct configuration=   219
   0.17461692  0.16523542  0.01200168
   0.42670076  0.08149545  0.37071716
   0.16004788  0.41766148  0.13954427
   0.40453929  0.34502446  0.26982730
   0.16781998  0.14904593  0.49383810
   0.41239365  0.12320321  0.88539851
   0.12417233  0.38986655  0.61357331
   0.36344126  0.37503932  0.76175882
   0.15483756  0.66363906  0.01425299
   0.38043449  0.58323418  0.37659212
   0.08491793  0.90282777  0.13745354
   0.33705469  0.83811792  0.24890629
   0.13330835  0.65718288  0.49505377
   0.39330128  0.62639294  0.88522286
   0.09347674  0.90113249  0.62209162
   0.35536417  0.93617280  0.73088894
   0.65712887  0.14845930  1.00784382
   0.88760258  0.09971886  0.38407606
   0.63524815  0.41291301  0.13037202
   0.90635295  0.28741922  0.21291934
   0.65543587  0.17627907  0.50721151
   0.91630477  0.09383777  0.89120382
   0.61056459  0.42610540  0.61873938
   0.77914896  0.34028384  0.80507521
   0.65269497  0.67366466  0.00647322
   0.88839066  0.59062230  0.36975090
   0.58493653  0.91141301  0.13608794
   0.82523015  0.84942298  0.26478662
   0.63501769  0.65765747  0.47619600
   0.90941884  0.60646759  0.88210249
   0.63537176  0.93176971  0.65433490
   0.86632753  0.86932155  0.76794084
   0.12082952  0.05814404  0.10315992
   0.38312443  0.18351608  0.28562033
   0.15441656  0.30952790  0.05277158
   0.36546062  0.42631639  0.36300514
   0.54939004  0.38001097  0.22996521
   0.31189278  0.41582324  0.18805934
   0.31371350  0.09385718  0.46183589
   0.05380747  0.11907172  0.40962231
   0.11590760  0.05666088  0.58674403
   0.37761712  0.22658254  0.79375026
   0.19548712  0.30330224  0.52432178
   0.37156260  0.46415148  0.85385506
   0.47148098  0.39953581  0.66990860
   0.21500365  0.39439568  0.71082415
   0.33926903  0.17491608 -0.01444519
   0.06295929  0.14163437  0.93258083
   0.12545286  0.55422215  0.09765022
   0.36404690  0.67955801  0.27301780
   0.11423844  0.80916319  0.05090220
   0.39148349  0.93129948  0.34130638
   0.42400713  0.88442872  0.15954264
   0.17892844  0.86286280  0.23790496
   0.29178727  0.64228085  0.46476010
   0.04003987  0.63876801  0.39191665
   0.10979839  0.54232118  0.57555626
   0.34356410  0.72185799  0.79477197
   0.09556534  0.79588393  0.53622592
   0.35221697  0.97574382  0.84865085
   0.48276730  0.87064153  0.67193680
   0.21210385  0.85163376  0.69216126
   0.30843237  0.65655867 -0.01494237
   0.06020749  0.62283773  0.92517493
   0.59630999  0.06546994  0.09770984
   0.83718447  0.20599285  0.30091403
   0.64093684  0.31074207  0.02200858
   0.87697045  0.44326883  0.32742338
   0.05805349  0.36918609  0.22995087
   0.78958150  0.39585527  0.17266994
   0.81131413  0.13676752  0.48328399
   0.57166011  0.11929838  0.41862559
   0.62418883  0.08202400  0.60372822
   0.86543680  0.20003130  0.80390818
   0.62031754  0.33789044  0.51920382
   0.86132975  0.45314506  0.85549707
   0.97864547  0.32268528  0.63012842
   0.75163103  0.38547665  0.68718746
   0.80104098  0.08350498  0.96978609
   0.56896592  0.10042840  0.91154581
   0.60449553  0.56341931  0.09229264
   0.81075794  0.68566271  0.29230264
   0.64025741  0.80799769  0.05862347
   0.86577232  0.94677415  0.34762494
   0.93140510  0.88384807  0.17528468
   0.67263738  0.88478613  0.23561992
   0.79459349  0.62556655  0.46529352
   0.54230484  0.59545806  0.38913174
   0.60299027  0.59231349  0.58378560
   0.88557759  0.70879516  0.79161533
   0.59389253  0.81311110  0.46638443
   0.94476899  0.93696658  0.85445867
   0.94047591  0.89594217  0.66523769
   0.71659622  0.93246183  0.75927587
   0.81013743  0.66199709  0.96634259
   0.54362944  0.66389405  0.91777711
   0.72692986  0.86364452  0.58313832
   0.66666124  0.87852248  0.47627050
   0.87519633  0.25156096  0.10362679
   0.77081914  0.44329905  0.31759147
   0.33389905  0.06368158  0.67689782
   0.27194690  0.68541065  0.76154452
   0.01459202  1.17371385  0.18105469
   0.21813207  0.99059417 -0.03321166
   0.64600851  0.33396062  0.84420528
   0.89910865  0.37753488  0.60781663
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.966185   -0.114901    0.008514
    -0.000000    9.959336    0.233859
    -0.000000   -0.000000   13.816784
   Si   O    H 
    32    64    10
Direct configuration=   220
   0.17536932  0.16563942  0.01168572
   0.42662205  0.08208091  0.37163091
   0.16016255  0.41670642  0.13986514
   0.40388388  0.34567915  0.26880030
   0.16735749  0.14977324  0.49284379
   0.41148537  0.12293953  0.88585034
   0.12408232  0.38922980  0.61350003
   0.36403692  0.37432848  0.76106444
   0.15420737  0.66376931  0.01386123
   0.38065254  0.58359485  0.37571277
   0.08432319  0.90259004  0.13753368
   0.33699933  0.83666298  0.24862205
   0.13394413  0.65810211  0.49470753
   0.39362774  0.62725992  0.88528017
   0.09393553  0.90119175  0.62277802
   0.35569343  0.93585758  0.73175389
   0.65709874  0.14838991  1.00714498
   0.88707833  0.10149536  0.38430369
   0.63425418  0.41371579  0.12954661
   0.90600834  0.28841144  0.21225557
   0.65615428  0.17832987  0.50800398
   0.91765612  0.09400121  0.89121940
   0.61024751  0.42575347  0.61930440
   0.77738239  0.34128254  0.80475052
   0.65257615  0.67223926  0.00747693
   0.88847182  0.59212695  0.36955900
   0.58425831  0.91162074  0.13643512
   0.82527394  0.84874247  0.26476715
   0.63584036  0.65702218  0.47655422
   0.90953947  0.60780292  0.88211254
   0.63535924  0.93200211  0.65452042
   0.86493643  0.86949423  0.76893596
   0.11948387  0.05885545  0.10315133
   0.38435738  0.18408730  0.28543778
   0.15424629  0.31072853  0.05305725
   0.36408032  0.42603091  0.36381505
   0.54756988  0.37934007  0.22902890
   0.31135973  0.41564470  0.18864266
   0.31275468  0.09269378  0.46178482
   0.05377952  0.12006111  0.41045132
   0.11674655  0.05816568  0.58799991
   0.37835720  0.22625527  0.79350829
   0.19672219  0.30522473  0.52478318
   0.37149202  0.46474128  0.85466914
   0.47137290  0.40013559  0.67105825
   0.21455839  0.39544214  0.71070776
   0.33755295  0.17616984 -0.01494987
   0.06196995  0.13937424  0.93162545
   0.12459094  0.55500472  0.09773048
   0.36542420  0.67868978  0.27421940
   0.11403386  0.80976132  0.05025360
   0.39093567  0.93101435  0.34067513
   0.42598709  0.88591917  0.16132365
   0.17944456  0.86457764  0.23748001
   0.29113495  0.64240063  0.46305865
   0.04037315  0.63974270  0.39411414
   0.10971966  0.54258335  0.57577206
   0.34397147  0.72191417  0.79339545
   0.09452161  0.79450636  0.53618273
   0.35174265  0.97519112  0.84918823
   0.48036757  0.87026268  0.67185096
   0.21152128  0.85013025  0.69167873
   0.30874209  0.65499738 -0.01526088
   0.06030616  0.62334956  0.92539801
   0.59742631  0.06694996  0.09826818
   0.83808408  0.20850783  0.30087590
   0.64145292  0.30755270  0.02344951
   0.87579125  0.44345141  0.32730867
   0.05775535  0.36864289  0.22986815
   0.78828563  0.39418182  0.17178941
   0.81010072  0.13530226  0.48392831
   0.57115250  0.11735869  0.41950927
   0.62303678  0.08245524  0.60313937
   0.86605818  0.19824340  0.80399541
   0.62129934  0.34079972  0.51993425
   0.86209504  0.45329974  0.85633705
   0.97934639  0.32219791  0.63097041
   0.74988314  0.38400586  0.68660158
   0.80186867  0.08457375  0.96933303
   0.57057681  0.09915173  0.91213875
   0.60483631  0.56339603  0.09091948
   0.81104674  0.68649901  0.29323531
   0.64166462  0.80772749  0.05843006
   0.86653574  0.94780470  0.34839110
   0.93000843  0.88276562  0.17453503
   0.67170059  0.88499169  0.23658511
   0.79341094  0.62582335  0.46490212
   0.54308447  0.59576509  0.38784105
   0.60219619  0.59140410  0.58387187
   0.88591900  0.70873084  0.79065811
   0.59365370  0.81406562  0.46582768
   0.94348246  0.93783020  0.85395597
   0.93892974  0.89641539  0.66426192
   0.71550066  0.93244489  0.75849749
   0.80892482  0.66116152  0.96569567
   0.54321099  0.66547680  0.91701454
   0.72264174  0.86081158  0.58706799
   0.66610227  0.87469396  0.47389338
   0.86808579  0.25803304  0.10143383
   0.77925663  0.43881794  0.32314889
   0.34164783  0.06274806  0.68622661
   0.26863308  0.68387179  0.75998580
   0.00478575  1.17514177  0.18536838
   0.21728072  0.98781287 -0.02954978
   0.64044333  0.33504363  0.84661064
   0.89775736  0.37833549  0.60664358
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965231   -0.113729    0.007401
    -0.000000    9.960063    0.236599
    -0.000000   -0.000000   13.816563
   Si   O    H 
    32    64    10
Direct configuration=   221
   0.17563199  0.16545643  0.01125448
   0.42623601  0.08269812  0.37261107
   0.16043341  0.41535570  0.14030793
   0.40297319  0.34599311  0.26782990
   0.16677205  0.14942337  0.49241235
   0.41050846  0.12253747  0.88574404
   0.12425829  0.38950100  0.61347406
   0.36386387  0.37385701  0.76029104
   0.15390298  0.66407037  0.01365996
   0.38131213  0.58473146  0.37441812
   0.08318299  0.90229918  0.13791685
   0.33667437  0.83539762  0.24870610
   0.13377988  0.65864969  0.49430622
   0.39399367  0.62811408  0.88547846
   0.09433794  0.90121437  0.62316067
   0.35656411  0.93507642  0.73250314
   0.65686070  0.14844291  1.00645717
   0.88700720  0.10361809  0.38451835
   0.63347557  0.41408073  0.12857919
   0.90611006  0.28940935  0.21147495
   0.65726044  0.17996997  0.50853366
   0.91907859  0.09436991  0.89062388
   0.60987208  0.42553052  0.62022457
   0.77540342  0.34188709  0.80460600
   0.65283878  0.67082153  0.00797236
   0.88849563  0.59373062  0.36991198
   0.58397312  0.91178061  0.13651359
   0.82574654  0.84810220  0.26460752
   0.63604205  0.65638062  0.47735802
   0.90925762  0.60908904  0.88213243
   0.63534459  0.93254437  0.65466867
   0.86315659  0.86932855  0.76940274
   0.11817277  0.05943311  0.10312928
   0.38503282  0.18509646  0.28521554
   0.15401535  0.31266669  0.05294125
   0.36258717  0.42596953  0.36483199
   0.54657577  0.37960516  0.22753807
   0.30969305  0.41473397  0.18893751
   0.31201603  0.09169137  0.46127069
   0.05361275  0.12050446  0.41074413
   0.11805727  0.06032826  0.58934218
   0.37984694  0.22548332  0.79399633
   0.19793418  0.30696060  0.52471014
   0.37155886  0.46639621  0.85531824
   0.47087201  0.40065382  0.67239537
   0.21415428  0.39613983  0.71045254
   0.33600591  0.17722968 -0.01628819
   0.06120514  0.13855126  0.93026629
   0.12349524  0.55670610  0.09728894
   0.36690860  0.67798273  0.27530755
   0.11441234  0.80951097  0.04934152
   0.39036895  0.93024158  0.33977746
   0.42834401  0.88714094  0.16244251
   0.17899169  0.86574992  0.23687495
   0.29048112  0.64261480  0.46134875
   0.04094678  0.64048605  0.39601317
   0.10986832  0.54269852  0.57600076
   0.34471424  0.72214463  0.79221047
   0.09294523  0.79335477  0.53610604
   0.35206547  0.97445360  0.84973299
   0.47847958  0.86981726  0.67125228
   0.21129079  0.84935840  0.69122090
   0.30903305  0.65294445 -0.01592677
   0.06090515  0.62441116  0.92528165
   0.59868462  0.06897848  0.09872325
   0.83836568  0.21012207  0.30087090
   0.64105738  0.30401786  0.02566184
   0.87512085  0.44316778  0.32705454
   0.05766500  0.36828997  0.22959022
   0.78669017  0.39234984  0.17048043
   0.80844028  0.13456501  0.48435709
   0.57065398  0.11554091  0.42033440
   0.62110093  0.08331854  0.60272120
   0.86671037  0.19652077  0.80473183
   0.62251993  0.34343496  0.52027336
   0.86294693  0.45437398  0.85764161
   0.97975882  0.32199873  0.63109096
   0.74697776  0.38282260  0.68585263
   0.80275350  0.08523717  0.96945143
   0.57152665  0.09820550  0.91331193
   0.60517585  0.56331044  0.08943410
   0.81130040  0.68730112  0.29372913
   0.64295035  0.80831668  0.05855441
   0.86816502  0.94916637  0.34965481
   0.92868666  0.88172264  0.17379990
   0.67014747  0.88536963  0.23766288
   0.79221323  0.62602818  0.46436247
   0.54340937  0.59627602  0.38647390
   0.60100993  0.59037411  0.58427928
   0.88569519  0.70865090  0.78984815
   0.59210706  0.81431928  0.46528641
   0.94204595  0.93886211  0.85301169
   0.93809150  0.89663993  0.66331743
   0.71462451  0.93299989  0.75865522
   0.80780186  0.66068870  0.96554137
   0.54333626  0.66702066  0.91616102
   0.71814218  0.85502916  0.59347109
   0.67132609  0.88149098  0.47284124
   0.86441800  0.26236871  0.09720612
   0.78345809  0.43399285  0.32660066
   0.34661008  0.07061775  0.69298714
   0.26222529  0.68465989  0.75465975
  -0.00566991  1.17119926  0.18956980
   0.21721465  0.98045924 -0.02435900
   0.63630683  0.33531396  0.84951988
   0.90154120  0.37206504  0.60751494
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964106   -0.113013    0.006563
    -0.000000    9.960711    0.240203
    -0.000000   -0.000000   13.816291
   Si   O    H 
    32    64    10
Direct configuration=   222
   0.17558233  0.16529465  0.01103050
   0.42587966  0.08296315  0.37375277
   0.16076562  0.41394415  0.14092669
   0.40222807  0.34630784  0.26764099
   0.16626900  0.14936922  0.49240670
   0.40924262  0.12123671  0.88560651
   0.12459540  0.39013034  0.61295784
   0.36338315  0.37376200  0.75948966
   0.15428172  0.66452727  0.01318617
   0.38242773  0.58619600  0.37358163
   0.08240077  0.90290291  0.13838395
   0.33594106  0.83448346  0.24891903
   0.13383186  0.65862981  0.49367809
   0.39343903  0.62865350  0.88566465
   0.09457336  0.90108157  0.62337776
   0.35710967  0.93456152  0.73320790
   0.65689691  0.14811098  1.00564997
   0.88728689  0.10551574  0.38498200
   0.63272879  0.41334337  0.12739783
   0.90667176  0.29069433  0.21112321
   0.65821180  0.18140309  0.50890755
   0.91980792  0.09478455  0.89030475
   0.60954064  0.42546826  0.62138215
   0.77361283  0.34223377  0.80417664
   0.65338639  0.66967730  0.00810314
   0.88823928  0.59564112  0.37035436
   0.58373790  0.91247394  0.13702625
   0.82536601  0.84748479  0.26425493
   0.63549172  0.65549063  0.47777740
   0.90932626  0.61057410  0.88213627
   0.63536907  0.93298984  0.65478331
   0.86182675  0.86924697  0.76933247
   0.11638131  0.05936583  0.10253364
   0.38550061  0.18527063  0.28532327
   0.15250491  0.31420287  0.05276409
   0.36131138  0.42624640  0.36508664
   0.54624982  0.37903860  0.22538192
   0.30812092  0.41318967  0.18926068
   0.31180023  0.09122012  0.46076562
   0.05322300  0.12169128  0.41044038
   0.11943816  0.06315369  0.59084949
   0.38163273  0.22373527  0.79476828
   0.19891608  0.30788873  0.52452279
   0.37190620  0.46827502  0.85595562
   0.46987619  0.40174420  0.67435950
   0.21340455  0.39691234  0.71025611
   0.33522013  0.17834922 -0.01724799
   0.06052066  0.13863945  0.92868413
   0.12131385  0.55884352  0.09681218
   0.36883114  0.67706532  0.27600028
   0.11359991  0.80983399  0.04866961
   0.38950738  0.93008977  0.33875822
   0.43053817  0.88929482  0.16325261
   0.17883343  0.86695121  0.23580247
   0.28973393  0.64321323  0.45960183
   0.04181353  0.64102175  0.39753302
   0.11072013  0.54202264  0.57645668
   0.34489213  0.72117199  0.79137723
   0.09166782  0.79282200  0.53614193
   0.35261244  0.97468535  0.85045449
   0.47719077  0.86915344  0.67032233
   0.21102497  0.84854818  0.69080766
   0.30946372  0.65103992 -0.01661231
   0.06091966  0.62615584  0.92428841
   0.59986762  0.07027248  0.09948870
   0.83775983  0.21174863  0.30123165
   0.64103444  0.30165316  0.02828413
   0.87566884  0.44294698  0.32652901
   0.05763803  0.36906085  0.22937438
   0.78462552  0.39125126  0.16920912
   0.80674248  0.13386898  0.48456271
   0.57050538  0.11401202  0.42125234
   0.61881327  0.08407443  0.60288682
   0.86761373  0.19420351  0.80525630
   0.62450587  0.34470226  0.52072260
   0.86491528  0.45533533  0.85884271
   0.97980420  0.32188897  0.63076933
   0.74414437  0.38229951  0.68560921
   0.80391956  0.08536154  0.97057602
   0.57255421  0.09733649  0.91413109
   0.60525469  0.56278426  0.08830256
   0.81199404  0.68850561  0.29330903
   0.64459830  0.80928373  0.05934229
   0.86958674  0.95024175  0.35108782
   0.92788761  0.88060131  0.17284847
   0.66876674  0.88560071  0.23871366
   0.79170658  0.62590698  0.46453031
   0.54379078  0.59647999  0.38517582
   0.59999058  0.58900731  0.58421413
   0.88507336  0.70838181  0.78917688
   0.59073867  0.81467003  0.46500613
   0.94090152  0.94092886  0.85208229
   0.93754093  0.89635708  0.66289313
   0.71371773  0.93342898  0.75878139
   0.80656673  0.65988916  0.96495935
   0.54343189  0.66855217  0.91527046
   0.71670214  0.84738787  0.59866488
   0.66592046  0.88337804  0.47091257
   0.86489549  0.26567272  0.09474398
   0.77464703  0.42314009  0.32783343
   0.34995076  0.08085337  0.69842573
   0.26482880  0.69026777  0.75262502
  -0.01555798  1.16596860  0.19159144
   0.21833096  0.97257723 -0.02004590
   0.63642697  0.33483182  0.85265477
   0.90017479  0.36471338  0.60798177
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962682   -0.112678    0.004795
    -0.000000    9.961320    0.243807
    -0.000000   -0.000000   13.815829
   Si   O    H 
    32    64    10
Direct configuration=   223
   0.17473422  0.16471042  0.01086101
   0.42552199  0.08303269  0.37509695
   0.16135762  0.41244390  0.14219999
   0.40158519  0.34666946  0.26762940
   0.16593743  0.14963244  0.49256925
   0.40846662  0.11950697  0.88550288
   0.12518959  0.39057601  0.61228078
   0.36245374  0.37436392  0.75829370
   0.15529917  0.66509297  0.01266086
   0.38385350  0.58727110  0.37335249
   0.08137530  0.90389275  0.13935533
   0.33566636  0.83302920  0.24992415
   0.13398341  0.65849210  0.49312767
   0.39291242  0.62844898  0.88585357
   0.09449854  0.90066100  0.62354435
   0.35686805  0.93354969  0.73413380
   0.65663609  0.14774951  1.00494494
   0.88822354  0.10706066  0.38570706
   0.63228113  0.41294448  0.12610546
   0.90719779  0.29220184  0.21046874
   0.65854704  0.18337346  0.50929236
   0.92007685  0.09522130  0.89021046
   0.60931502  0.42558653  0.62256853
   0.77187116  0.34199243  0.80396386
   0.65333276  0.66823813  0.00818536
   0.88785289  0.59713624  0.37089162
   0.58395161  0.91323317  0.13741188
   0.82465144  0.84638070  0.26415161
   0.63445070  0.65459717  0.47790476
   0.90956356  0.61151349  0.88236532
   0.63477684  0.93340853  0.65476489
   0.86145534  0.86877130  0.76933489
   0.11475034  0.05888527  0.10183418
   0.38570702  0.18599367  0.28548508
   0.15115251  0.31528599  0.05189209
   0.36009002  0.42566579  0.36505662
   0.54565325  0.37905219  0.22355715
   0.30609439  0.41219672  0.18877919
   0.31115097  0.09067037  0.46042278
   0.05206101  0.12370035  0.41000362
   0.12007740  0.06587124  0.59195200
   0.38427001  0.22046531  0.79530485
   0.19817101  0.30872267  0.52377439
   0.37194609  0.47028294  0.85678761
   0.46891792  0.40208619  0.67635024
   0.21287108  0.39680566  0.70975318
   0.33463997  0.18044618 -0.01825734
   0.06109498  0.13960649  0.92698587
   0.11927936  0.56028035  0.09658909
   0.37060263  0.67716638  0.27682636
   0.11410357  0.81102961  0.04790436
   0.38869013  0.92930086  0.33774925
   0.43278066  0.89122929  0.16375839
   0.17720158  0.86770849  0.23413845
   0.28891753  0.64307694  0.45810665
   0.04209818  0.64084408  0.39950364
   0.11177297  0.54183501  0.57642364
   0.34507464  0.71968398  0.79102177
   0.09123741  0.79275067  0.53662365
   0.35375068  0.97465698  0.85046324
   0.47640690  0.86889278  0.66969351
   0.21148041  0.84868723  0.69062834
   0.30903638  0.64950859 -0.01707283
   0.06029732  0.62745681  0.92345076
   0.60100685  0.07127892  0.10091500
   0.83649619  0.21363263  0.30200869
   0.64053914  0.30023464  0.03110807
   0.87579531  0.44235709  0.32677046
   0.05747739  0.36971571  0.22871776
   0.78339851  0.39106837  0.16780993
   0.80462822  0.13321201  0.48501940
   0.57023723  0.11309064  0.42181567
   0.61693582  0.08534017  0.60324134
   0.86805279  0.19397744  0.80577172
   0.62634127  0.34546849  0.52136237
   0.86710412  0.45530329  0.85943688
   0.98041648  0.32151951  0.63042751
   0.74118185  0.38109261  0.68637117
   0.80554516  0.08557623  0.97170756
   0.57272964  0.09614393  0.91486850
   0.60539552  0.56212638  0.08709428
   0.81228991  0.68995400  0.29237383
   0.64619421  0.81127019  0.06001746
   0.87022582  0.95149999  0.35225740
   0.92664665  0.87943787  0.17127118
   0.66720481  0.88635702  0.23960079
   0.79185563  0.62533392  0.46476523
   0.54427545  0.59680346  0.38404773
   0.59980491  0.58840096  0.58407245
   0.88416130  0.70793637  0.78824081
   0.58942747  0.81518941  0.46492157
   0.94014562  0.94271769  0.85153684
   0.93756840  0.89667343  0.66253317
   0.71266574  0.93383778  0.75944611
   0.80546864  0.65889801  0.96491824
   0.54419196  0.66919402  0.91413814
   0.71772355  0.83996861  0.60023384
   0.65618147  0.88061435  0.47061514
   0.86825318  0.26743513  0.09589807
   0.77391600  0.41576728  0.32735801
   0.35160753  0.08519410  0.70227476
   0.27298109  0.69875633  0.75186317
  -0.02582084  1.16263020  0.19306166
   0.21841163  0.96448325 -0.01478018
   0.63953453  0.33520984  0.85123508
   0.89408251  0.36003290  0.60735321
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961354   -0.112266    0.003324
    -0.000000    9.961828    0.246743
    -0.000000   -0.000000   13.815547
   Si   O    H 
    32    64    10
Direct configuration=   224
   0.17396143  0.16439702  0.01111942
   0.42460958  0.08286639  0.37609109
   0.16132570  0.41077419  0.14311639
   0.40080919  0.34732464  0.26767537
   0.16573323  0.14989346  0.49290466
   0.40780630  0.11824111  0.88540849
   0.12597838  0.39108687  0.61177530
   0.36093060  0.37475795  0.75769741
   0.15717736  0.66538089  0.01183867
   0.38500688  0.58824838  0.37344113
   0.08094525  0.90477651  0.14055408
   0.33550187  0.83226199  0.25151422
   0.13393846  0.65821797  0.49215868
   0.39325528  0.62845915  0.88622723
   0.09351367  0.90058639  0.62371146
   0.35615474  0.93285169  0.73449830
   0.65682392  0.14723980  1.00442046
   0.88933428  0.10855181  0.38641213
   0.63228505  0.41207805  0.12454647
   0.90776383  0.29357744  0.20985873
   0.65857759  0.18464985  0.51014028
   0.91996961  0.09539289  0.88981518
   0.60946008  0.42541655  0.62356382
   0.77089115  0.34226730  0.80380012
   0.65352629  0.66682457  0.00801098
   0.88817144  0.59818203  0.37111838
   0.58461787  0.91367256  0.13800115
   0.82366510  0.84618897  0.26378064
   0.63315181  0.65378029  0.47761809
   0.90951532  0.61203779  0.88270663
   0.63394507  0.93369504  0.65484158
   0.86146053  0.86844077  0.76927424
   0.11254829  0.05938503  0.10128446
   0.38589109  0.18679763  0.28563952
   0.14965774  0.31535888  0.05120175
   0.35887210  0.42440685  0.36491842
   0.54458318  0.37853600  0.22147918
   0.30370978  0.41144591  0.18800541
   0.31058930  0.08986417  0.45996132
   0.05025253  0.12592603  0.40976425
   0.12087884  0.06862219  0.59315157
   0.38763039  0.21741236  0.79561168
   0.19724462  0.30950954  0.52334041
   0.37128089  0.47217687  0.85708653
   0.46834030  0.40223601  0.67765094
   0.21212736  0.39641267  0.70968217
   0.33420238  0.18264611 -0.01932251
   0.06298173  0.14071545  0.92554795
   0.11751812  0.56208329  0.09678683
   0.37212119  0.67760553  0.27742503
   0.11346375  0.81254014  0.04723499
   0.38842304  0.92865944  0.33637066
   0.43392332  0.89213526  0.16378233
   0.17534522  0.86819566  0.23245873
   0.28762787  0.64331571  0.45697562
   0.04152284  0.64073607  0.40128517
   0.11305249  0.54267091  0.57617006
   0.34571286  0.71833177  0.79098284
   0.09100728  0.79280063  0.53748836
   0.35558724  0.97393973  0.85094956
   0.47608590  0.86820394  0.66920530
   0.21246599  0.84882567  0.69006513
   0.30857000  0.64788833 -0.01724023
   0.05992248  0.62862593  0.92280385
   0.60176390  0.07196405  0.10244460
   0.83474046  0.21483599  0.30314774
   0.64051326  0.29936148  0.03328490
   0.87474007  0.44198362  0.32713981
   0.05733670  0.37007914  0.22780040
   0.78199540  0.39200165  0.16712038
   0.80365199  0.13298222  0.48502289
   0.57018490  0.11256273  0.42246627
   0.61541220  0.08666071  0.60374482
   0.86894068  0.19549672  0.80586284
   0.62895765  0.34548073  0.52287921
   0.86871842  0.45552905  0.86017162
   0.98005680  0.32093450  0.63057210
   0.73857538  0.37952485  0.68703209
   0.80676001  0.08629962  0.97313518
   0.57155410  0.09531867  0.91512492
   0.60457549  0.56033234  0.08576343
   0.81255145  0.69119555  0.29174615
   0.64642371  0.81280741  0.06051340
   0.87112875  0.95276722  0.35360693
   0.92614671  0.87915479  0.16921207
   0.66596922  0.88645375  0.23991352
   0.79126900  0.62416295  0.46511547
   0.54550551  0.59732389  0.38327950
   0.59944691  0.58793906  0.58488121
   0.88261700  0.70745421  0.78730981
   0.58867498  0.81496591  0.46545927
   0.93976099  0.94371558  0.85145667
   0.93798929  0.89674394  0.66178837
   0.71109364  0.93501340  0.76037182
   0.80448149  0.65888130  0.96434382
   0.54550456  0.66964910  0.91297530
   0.71834939  0.83356176  0.59993313
   0.64982649  0.88221816  0.46877789
   0.87561609  0.26853874  0.09528660
   0.77909708  0.41189538  0.32828972
   0.35309907  0.08247043  0.70513269
   0.27170475  0.70426069  0.74672274
  -0.03364481  1.15596038  0.19244226
   0.21935412  0.96068867 -0.00989148
   0.63910884  0.33552448  0.84811084
   0.89512656  0.35276212  0.60590927
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959802   -0.112146    0.001439
    -0.000000    9.962263    0.250012
    -0.000000   -0.000000   13.814799
   Si   O    H 
    32    64    10
Direct configuration=   225
   0.17291390  0.16338987  0.01152102
   0.42347318  0.08242878  0.37670551
   0.16089671  0.40918165  0.14373345
   0.39978786  0.34771010  0.26779545
   0.16486183  0.15059024  0.49292200
   0.40768188  0.11633052  0.88595409
   0.12649867  0.39100351  0.61151377
   0.35960078  0.37505259  0.75743912
   0.15828722  0.66559357  0.01114169
   0.38692996  0.58878267  0.37327206
   0.08043072  0.90558306  0.14169056
   0.33517196  0.83198169  0.25318126
   0.13428087  0.65798252  0.49171320
   0.39410446  0.62862962  0.88644739
   0.09237677  0.90055814  0.62342843
   0.35543880  0.93305909  0.73462230
   0.65728335  0.14647614  1.00399961
   0.89063643  0.11001816  0.38691141
   0.63226723  0.41129928  0.12329908
   0.90783493  0.29599871  0.20968733
   0.65849316  0.18521135  0.51074062
   0.91998309  0.09517369  0.88950474
   0.60962473  0.42530707  0.62460152
   0.77038709  0.34227201  0.80337294
   0.65406748  0.66537792  0.00756926
   0.88797994  0.59880378  0.37147016
   0.58497669  0.91350910  0.13866846
   0.82250271  0.84638361  0.26328031
   0.63221009  0.65320319  0.47746290
   0.90941585  0.61221368  0.88350466
   0.63270923  0.93373819  0.65475033
   0.86155325  0.86864026  0.76921376
   0.11062420  0.05984822  0.10104652
   0.38574027  0.18645244  0.28603619
   0.14800515  0.31540195  0.04991742
   0.35859989  0.42268587  0.36547135
   0.54367917  0.37728163  0.21929606
   0.30219706  0.41068815  0.18751784
   0.30965644  0.08939095  0.46026627
   0.04840057  0.12822985  0.40932536
   0.12156629  0.07051579  0.59415831
   0.39021014  0.21435904  0.79531952
   0.19654922  0.30995824  0.52294328
   0.37010470  0.47395672  0.85712439
   0.46784140  0.40285728  0.67848223
   0.21134128  0.39609712  0.70907162
   0.33350026  0.18424144 -0.02080626
   0.06531517  0.14268235  0.92392564
   0.11580812  0.56297632  0.09676430
   0.37363942  0.67821882  0.27788070
   0.11315591  0.81305669  0.04721614
   0.38832959  0.92927183  0.33517863
   0.43430482  0.89274563  0.16398003
   0.17366313  0.86911657  0.23035968
   0.28705960  0.64340071  0.45544385
   0.04035173  0.64091590  0.40292330
   0.11435044  0.54376735  0.57589756
   0.34675901  0.71792942  0.79120311
   0.09098025  0.79382369  0.53809202
   0.35625312  0.97225835  0.85159770
   0.47693692  0.86788116  0.66853226
   0.21434186  0.84886469  0.68983431
   0.30832884  0.64638857 -0.01714822
   0.05977018  0.62905002  0.92228835
   0.60231711  0.07171522  0.10360619
   0.83315792  0.21561711  0.30404358
   0.64104806  0.29955798  0.03437475
   0.87289853  0.44193463  0.32735619
   0.05718281  0.36964474  0.22753410
   0.78034848  0.39309498  0.16660721
   0.80335047  0.13306347  0.48484683
   0.57032406  0.11326682  0.42299973
   0.61474585  0.08812023  0.60491909
   0.87009484  0.19722944  0.80587946
   0.63123245  0.34494167  0.52448230
   0.86934625  0.45603491  0.86067344
   0.98023285  0.31994024  0.63111640
   0.73605609  0.37794416  0.68793749
   0.80746670  0.08701865  0.97501434
   0.57046899  0.09442246  0.91469685
   0.60339441  0.55796552  0.08522530
   0.81386941  0.69333618  0.29078325
   0.64697173  0.81377636  0.06045946
   0.87175156  0.95379905  0.35465149
   0.92509012  0.87932553  0.16800297
   0.66488937  0.88662246  0.23966546
   0.79135502  0.62266524  0.46509649
   0.54655638  0.59830863  0.38343067
   0.59820268  0.58653938  0.58595617
   0.88152649  0.70745212  0.78704086
   0.58751397  0.81326269  0.46611216
   0.94019803  0.94390258  0.85144381
   0.93845569  0.89637037  0.66154197
   0.70982502  0.93548324  0.76101045
   0.80294211  0.65836389  0.96391455
   0.54693980  0.67005326  0.91214667
   0.72201215  0.83053752  0.59889632
   0.65893723  0.89674274  0.46574467
   0.88532475  0.26523681  0.09445664
   0.78714481  0.41051557  0.32964439
   0.35012620  0.07131211  0.70433275
   0.27089817  0.70672438  0.74111562
  -0.03724046  1.14960315  0.19044728
   0.21930914  0.95812846 -0.00639198
   0.63879230  0.33705627  0.84901794
   0.89350566  0.34596493  0.60593326
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958090   -0.111349   -0.000839
    -0.000000    9.962402    0.253059
    -0.000000   -0.000000   13.813966
   Si   O    H 
    32    64    10
Direct configuration=   226
   0.17177769  0.16234765  0.01170147
   0.42219012  0.08190207  0.37710744
   0.15997869  0.40802042  0.14379921
   0.39808146  0.34718551  0.26778778
   0.16450350  0.15165432  0.49318832
   0.40769449  0.11465454  0.88633604
   0.12703355  0.39068303  0.61090978
   0.35873320  0.37599594  0.75782236
   0.15880509  0.66580681  0.01040878
   0.38895466  0.58864571  0.37317196
   0.08002148  0.90657883  0.14228112
   0.33512454  0.83238262  0.25458362
   0.13516781  0.65766819  0.49148928
   0.39512465  0.62869618  0.88647096
   0.09096615  0.90109460  0.62327822
   0.35436712  0.93289475  0.73491059
   0.65766530  0.14572592  1.00368999
   0.89152869  0.11145148  0.38736890
   0.63186231  0.41028728  0.12185474
   0.90755471  0.29824060  0.20995317
   0.65818054  0.18577623  0.51095512
   0.92082888  0.09505914  0.88963153
   0.60953739  0.42604959  0.62571026
   0.77000683  0.34252625  0.80266092
   0.65511850  0.66448459  0.00690929
   0.88777056  0.59930408  0.37179788
   0.58552149  0.91316766  0.13923410
   0.82169038  0.84751496  0.26276441
   0.63115966  0.65293216  0.47700645
   0.90839004  0.61200401  0.88439129
   0.63183442  0.93421265  0.65439853
   0.86105738  0.86924838  0.76858895
   0.10890818  0.06098556  0.10124356
   0.38573942  0.18623790  0.28656689
   0.14615258  0.31483610  0.04835681
   0.35859147  0.42184261  0.36600901
   0.54255295  0.37687352  0.21708809
   0.30116719  0.40953896  0.18752265
   0.30835512  0.08938961  0.46007225
   0.04729618  0.13053000  0.40885194
   0.12178612  0.07260518  0.59520526
   0.39238940  0.21203534  0.79524156
   0.19584292  0.30894153  0.52258092
   0.36928846  0.47548366  0.85659945
   0.46794094  0.40293659  0.67874679
   0.21092184  0.39514606  0.70950210
   0.33327197  0.18525419 -0.02224972
   0.06834068  0.14501397  0.92239760
   0.11380888  0.56367069  0.09690334
   0.37484214  0.67896534  0.27793365
   0.11295381  0.81390225  0.04732029
   0.38829306  0.93022435  0.33365894
   0.43426828  0.89237532  0.16404249
   0.17326917  0.87053143  0.22892789
   0.28682439  0.64334927  0.45393548
   0.03777444  0.64045377  0.40423993
   0.11572140  0.54468627  0.57605041
   0.34795392  0.71752251  0.79099574
   0.09055871  0.79473847  0.53900250
   0.35706506  0.97104296  0.85182723
   0.47756489  0.86774353  0.66869905
   0.21624000  0.84864015  0.68976558
   0.30835114  0.64525862 -0.01693035
   0.06053139  0.63035278  0.92200367
   0.60310766  0.07125705  0.10456743
   0.83222302  0.21694152  0.30487362
   0.64171980  0.30071788  0.03590312
   0.87169842  0.44217798  0.32802985
   0.05654827  0.36938715  0.22754117
   0.77943427  0.39414998  0.16622388
   0.80412299  0.13393642  0.48457255
   0.56996521  0.11251559  0.42287381
   0.61335629  0.09011235  0.60596315
   0.87048785  0.19963821  0.80605132
   0.63415919  0.34492080  0.52581493
   0.86942514  0.45639819  0.86088264
   0.98096398  0.31910949  0.63119297
   0.73364452  0.37659208  0.68880563
   0.80806691  0.08759134  0.97669928
   0.56871333  0.09323572  0.91420930
   0.60204425  0.55588796  0.08496015
   0.81598820  0.69501501  0.28995906
   0.64709709  0.81439135  0.06059281
   0.87257544  0.95428784  0.35513296
   0.92429866  0.87901098  0.16765165
   0.66503599  0.88657048  0.23933817
   0.79159509  0.62062519  0.46548890
   0.54729625  0.59864299  0.38355566
   0.59741604  0.58466223  0.58656441
   0.88087731  0.70726110  0.78678965
   0.58728512  0.81286144  0.46667494
   0.94064788  0.94495665  0.85121464
   0.93947505  0.89571210  0.66156574
   0.70870026  0.93438082  0.76163299
   0.80134244  0.65757097  0.96311655
   0.54892615  0.67031408  0.91158210
   0.72181352  0.83199335  0.59908616
   0.65954861  0.89649305  0.46237999
   0.89659315  0.26181315  0.09512179
   0.78423453  0.40621394  0.33109810
   0.34334381  0.06538382  0.69990403
   0.27162945  0.70614555  0.74107481
  -0.04051657  1.14624024  0.18761527
   0.22066963  0.95952314 -0.00194191
   0.64082789  0.33561156  0.85100265
   0.89319133  0.34274355  0.60558532
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956685   -0.110805   -0.003269
    -0.000000    9.962787    0.255942
    -0.000000   -0.000000   13.813179
   Si   O    H 
    32    64    10
Direct configuration=   227
   0.17030106  0.16190168  0.01227567
   0.42164709  0.08118774  0.37726976
   0.15884179  0.40750410  0.14363195
   0.39653502  0.34647428  0.26805333
   0.16377665  0.15255797  0.49378440
   0.40830323  0.11317148  0.88677869
   0.12749653  0.38945571  0.61042104
   0.35775962  0.37612492  0.75830666
   0.15808095  0.66531681  0.00962336
   0.39070822  0.58836299  0.37357436
   0.07879301  0.90731954  0.14273822
   0.33471960  0.83318586  0.25554460
   0.13630587  0.65768462  0.49104774
   0.39578428  0.62859984  0.88692758
   0.08980047  0.90145579  0.62336885
   0.35264622  0.93277908  0.73514052
   0.65806845  0.14512106  1.00350348
   0.89219048  0.11266826  0.38741269
   0.63168165  0.40832183  0.12074772
   0.90772111  0.30021620  0.21003278
   0.65786820  0.18569956  0.51073251
   0.92156599  0.09541389  0.88940550
   0.60853370  0.42685046  0.62656797
   0.77033216  0.34215044  0.80177861
   0.65597101  0.66424321  0.00607392
   0.88699342  0.59988013  0.37242483
   0.58634648  0.91342430  0.13978297
   0.82128684  0.84926645  0.26234522
   0.63028133  0.65272670  0.47675436
   0.90729810  0.61140319  0.88454514
   0.63084659  0.93447564  0.65417146
   0.86069261  0.86960933  0.76791978
   0.10744033  0.06172948  0.10164316
   0.38589150  0.18662814  0.28714808
   0.14513961  0.31432567  0.04717307
   0.35742735  0.42209506  0.36627901
   0.54217872  0.37697928  0.21534067
   0.30041201  0.40879537  0.18765015
   0.30721733  0.08969079  0.45923335
   0.04616840  0.13298498  0.40848184
   0.12134195  0.07318613  0.59651895
   0.39419201  0.21102975  0.79494261
   0.19559462  0.30818493  0.52249079
   0.36914021  0.47615957  0.85562519
   0.46804525  0.40290472  0.67895575
   0.21018604  0.39406930  0.70969735
   0.33310860  0.18582519 -0.02404989
   0.07165590  0.14731521  0.92052220
   0.11237479  0.56335135  0.09721387
   0.37484352  0.67949530  0.27733396
   0.11358680  0.81512696  0.04814355
   0.38773745  0.93188647  0.33352034
   0.43401765  0.89137846  0.16377660
   0.17391396  0.87095838  0.22797867
   0.28650595  0.64234018  0.45286319
   0.03430346  0.63959886  0.40524065
   0.11617057  0.54566059  0.57621208
   0.34875408  0.71773742  0.79022402
   0.09060428  0.79596442  0.53980458
   0.35720147  0.96953013  0.85203028
   0.47922266  0.86783862  0.66910049
   0.21714780  0.84903897  0.68977392
   0.30862331  0.64497155 -0.01642337
   0.06103850  0.63056646  0.92103581
   0.60418507  0.07051767  0.10546145
   0.83043017  0.21833870  0.30543132
   0.64166273  0.30147680  0.03750673
   0.87077283  0.44366081  0.32901248
   0.05607096  0.36927360  0.22800240
   0.77896149  0.39561865  0.16614805
   0.80472018  0.13562846  0.48345994
   0.56979513  0.11186587  0.42215578
   0.61293764  0.09251428  0.60717307
   0.87044343  0.20193434  0.80593880
   0.63668471  0.34497153  0.52698949
   0.86926891  0.45736269  0.86050893
   0.98288154  0.31838773  0.63135213
   0.73104484  0.37549614  0.68973599
   0.80879281  0.08824966  0.97842915
   0.56632874  0.09232450  0.91394163
   0.60163810  0.55367098  0.08431868
   0.81723161  0.69614079  0.28907605
   0.64680344  0.81479106  0.06113091
   0.87261588  0.95437698  0.35505940
   0.92314581  0.87920534  0.16819202
   0.66502411  0.88679271  0.23878848
   0.79237825  0.61907969  0.46524615
   0.54871710  0.59819896  0.38457101
   0.59677439  0.58302694  0.58692786
   0.87995428  0.70734944  0.78695178
   0.58876569  0.81263161  0.46718607
   0.94128421  0.94648663  0.85168740
   0.94033344  0.89519109  0.66163271
   0.70785601  0.93291074  0.76234970
   0.79954299  0.65671114  0.96239410
   0.55072928  0.67083590  0.91132618
   0.72287782  0.83857620  0.60175719
   0.64897762  0.87916240  0.46205670
   0.90860563  0.25785512  0.09628793
   0.77458226  0.39978379  0.33266172
   0.33430032  0.06787726  0.69351529
   0.27754592  0.70463016  0.74335668
  -0.04091168  1.15070524  0.18394254
   0.22491487  0.96478369 -0.00039310
   0.63914488  0.33459214  0.85250929
   0.89666060  0.34262927  0.60605341
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955394   -0.109851   -0.005859
    -0.000000    9.962785    0.258576
    -0.000000   -0.000000   13.812512
   Si   O    H 
    32    64    10
Direct configuration=   228
   0.16893050  0.16203022  0.01277909
   0.42094929  0.08098815  0.37747939
   0.15669156  0.40723083  0.14298494
   0.39552471  0.34548391  0.26815406
   0.16292180  0.15291817  0.49462407
   0.40881063  0.11131621  0.88727459
   0.12820761  0.38783360  0.60975900
   0.35725063  0.37638351  0.75880736
   0.15768607  0.66524953  0.00922416
   0.39198833  0.58783700  0.37379963
   0.07801994  0.90767265  0.14313198
   0.33426799  0.83394431  0.25590766
   0.13762924  0.65771487  0.49092387
   0.39715935  0.62885977  0.88728341
   0.08909668  0.90178070  0.62369894
   0.35152576  0.93311103  0.73525317
   0.65799054  0.14460689  1.00323620
   0.89253754  0.11403367  0.38711090
   0.63164647  0.40614139  0.12012543
   0.90768375  0.30259166  0.21021729
   0.65679458  0.18462467  0.51073507
   0.92141984  0.09642187  0.88916797
   0.60764192  0.42767780  0.62744623
   0.77142035  0.34143483  0.80092790
   0.65629276  0.66414388  0.00528705
   0.88550633  0.60029904  0.37243876
   0.58727645  0.91377530  0.14053262
   0.82121684  0.85167239  0.26210181
   0.62941899  0.65260115  0.47668746
   0.90597003  0.61085072  0.88431341
   0.63014723  0.93472121  0.65338058
   0.86051604  0.86952795  0.76688180
   0.10651943  0.06339741  0.10223658
   0.38609687  0.18647682  0.28733630
   0.14521064  0.31400790  0.04619211
   0.35710664  0.42247838  0.36657539
   0.54120289  0.37800307  0.21377744
   0.29937451  0.40811966  0.18792364
   0.30579634  0.09068057  0.45910789
   0.04623869  0.13495622  0.40806923
   0.11989397  0.07325098  0.59721631
   0.39560714  0.21051684  0.79449314
   0.19481905  0.30721045  0.52224648
   0.36942026  0.47682169  0.85469652
   0.46802099  0.40285764  0.67850977
   0.20991358  0.39325423  0.70994798
   0.33278811  0.18574103 -0.02576553
   0.07459550  0.14967880  0.91895905
   0.11152396  0.56185885  0.09782427
   0.37332428  0.68072874  0.27662959
   0.11366174  0.81640558  0.04911441
   0.38786867  0.93367601  0.33351191
   0.43288737  0.89046975  0.16384241
   0.17539855  0.87148506  0.22789596
   0.28644740  0.64214383  0.45162019
   0.03147066  0.63876159  0.40585711
   0.11624904  0.54644864  0.57676111
   0.35003727  0.71730130  0.78950792
   0.09179022  0.79799840  0.54051488
   0.35765056  0.96754369  0.85221194
   0.48026688  0.86848252  0.67025574
   0.21767637  0.84857758  0.69004040
   0.31005760  0.64554197 -0.01560631
   0.06109339  0.63062793  0.91961335
   0.60536440  0.06978747  0.10617313
   0.82831397  0.21870052  0.30580184
   0.64240016  0.30186820  0.03843999
   0.86954910  0.44467276  0.32972997
   0.05552966  0.36916740  0.22828326
   0.77871073  0.39647680  0.16601224
   0.80622401  0.13856635  0.48290538
   0.56872163  0.11160522  0.42176220
   0.61330700  0.09471033  0.60879605
   0.87037668  0.20347171  0.80594611
   0.63902799  0.34468641  0.52784770
   0.86882941  0.45742077  0.85966046
   0.98428602  0.31854025  0.63134597
   0.72958245  0.37417355  0.69079257
   0.80979719  0.08848705  0.97977350
   0.56438522  0.09153680  0.91351398
   0.60158278  0.55186345  0.08387626
   0.81842249  0.69644206  0.28811654
   0.64661634  0.81450974  0.06154573
   0.87226778  0.95410647  0.35486140
   0.92130253  0.87966754  0.16895450
   0.66570258  0.88658626  0.23848542
   0.79318286  0.61751667  0.46518663
   0.55013230  0.59826272  0.38607327
   0.59610951  0.58216864  0.58654469
   0.87930102  0.70723847  0.78661864
   0.59008361  0.81145719  0.46825929
   0.94189515  0.94770485  0.85228267
   0.94024218  0.89483328  0.66212565
   0.70717287  0.93121810  0.76291661
   0.79833314  0.65603478  0.96148263
   0.55199126  0.67148155  0.91049531
   0.72363507  0.84709388  0.60339161
   0.65512273  0.87912483  0.46178231
   0.91901514  0.25138028  0.10225705
   0.77285179  0.39886086  0.33305946
   0.32625530  0.07208080  0.68689531
   0.27893875  0.69662435  0.74523815
  -0.04032547  1.16010764  0.17668103
   0.23022937  0.97287891  0.00153073
   0.63889280  0.33327489  0.85488842
   0.89963814  0.34274151  0.60429618
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954171   -0.108845   -0.008269
    -0.000000    9.962859    0.261281
    -0.000000   -0.000000   13.812092
   Si   O    H 
    32    64    10
Direct configuration=   229
   0.16773959  0.16249173  0.01266831
   0.42059248  0.08073360  0.37737556
   0.15449601  0.40699318  0.14168771
   0.39488321  0.34430402  0.26824683
   0.16194053  0.15385423  0.49539544
   0.40893819  0.10923648  0.88776647
   0.12848160  0.38621181  0.60872989
   0.35730376  0.37678045  0.75957258
   0.15741341  0.66559212  0.00917974
   0.39341037  0.58780551  0.37425185
   0.07746298  0.90828916  0.14338777
   0.33422176  0.83497967  0.25611561
   0.13850470  0.65789676  0.49106920
   0.39806757  0.62908400  0.88761479
   0.08937205  0.90290241  0.62422567
   0.35003365  0.93340296  0.73555893
   0.65749128  0.14354980  1.00278792
   0.89249004  0.11522980  0.38671825
   0.63249907  0.40394796  0.12003401
   0.90739401  0.30508964  0.21091098
   0.65604916  0.18301405  0.51081105
   0.92182397  0.09737828  0.88912497
   0.60648662  0.42808132  0.62794437
   0.77279359  0.34105826  0.80047987
   0.65628268  0.66443886  0.00496931
   0.88383327  0.60038004  0.37256825
   0.58762750  0.91421012  0.14111717
   0.82125803  0.85452608  0.26219468
   0.62964469  0.65246647  0.47687848
   0.90433309  0.61031349  0.88433654
   0.62910747  0.93469626  0.65272262
   0.86061008  0.86970925  0.76576005
   0.10505872  0.06539254  0.10289757
   0.38688394  0.18588119  0.28747042
   0.14627318  0.31426623  0.04578705
   0.35648831  0.42313287  0.36646191
   0.54050425  0.37902502  0.21290912
   0.29755248  0.40737929  0.18771355
   0.30477027  0.09179257  0.45874714
   0.04740827  0.13718166  0.40768478
   0.11877170  0.07237340  0.59814943
   0.39696568  0.21121621  0.79387786
   0.19397467  0.30633825  0.52231980
   0.37035125  0.47598620  0.85339764
   0.46863555  0.40299809  0.67777417
   0.21053581  0.39229145  0.71030391
   0.33246261  0.18572722 -0.02743036
   0.07641182  0.15191396  0.91776377
   0.11194172  0.56055342  0.09827846
   0.37183008  0.68126353  0.27581969
   0.11425575  0.81792742  0.04954620
   0.38841115  0.93536885  0.33354349
   0.43240945  0.88917554  0.16416905
   0.17721193  0.87164836  0.22844666
   0.28644239  0.64266874  0.45038086
   0.02971909  0.63819134  0.40580718
   0.11584239  0.54729632  0.57742609
   0.35149402  0.71724873  0.78893430
   0.09312782  0.79952033  0.54086961
   0.35837810  0.96571721  0.85158494
   0.48065430  0.86967791  0.67124675
   0.21777293  0.84819987  0.69051861
   0.31153601  0.64610682 -0.01517113
   0.06082716  0.63136983  0.91892263
   0.60660226  0.06982415  0.10660834
   0.82644707  0.21803685  0.30603347
   0.64230843  0.30177365  0.03900124
   0.86831831  0.44625224  0.33075231
   0.05552799  0.36918963  0.22880465
   0.77945511  0.39712413  0.16620688
   0.80784872  0.14077915  0.48248738
   0.56798796  0.11205546  0.42112965
   0.61391255  0.09703583  0.61075915
   0.87013537  0.20523658  0.80590475
   0.64144493  0.34452057  0.52804404
   0.86811611  0.45673949  0.85875190
   0.98516121  0.31845107  0.63117606
   0.72792707  0.37303789  0.69244023
   0.81108354  0.08871926  0.98142509
   0.56340873  0.09130077  0.91361953
   0.60133165  0.55069920  0.08324618
   0.81908922  0.69641809  0.28721114
   0.64612016  0.81428193  0.06185456
   0.87228780  0.95326608  0.35427582
   0.91851048  0.87926081  0.16950651
   0.66743721  0.88604617  0.23899745
   0.79410437  0.61567143  0.46528024
   0.55127294  0.59862637  0.38751223
   0.59611190  0.58220612  0.58595696
   0.87915741  0.70729723  0.78629790
   0.59158016  0.80978158  0.46952001
   0.94138941  0.94847139  0.85334187
   0.93993335  0.89495282  0.66269527
   0.70785909  0.92962863  0.76315834
   0.79737220  0.65534875  0.96071332
   0.55351337  0.67151363  0.90960419
   0.72227715  0.85700101  0.60417583
   0.66835020  0.88308179  0.46035078
   0.93051210  0.24738970  0.10769373
   0.78247119  0.40165988  0.33589765
   0.31899053  0.07185368  0.68252473
   0.27484028  0.68949059  0.74509434
  -0.03866598  1.16509534  0.17060769
   0.23348116  0.98640663  0.00371310
   0.64334591  0.33269790  0.85662676
   0.90123624  0.34207480  0.60150881
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952677   -0.107713   -0.010662
    -0.000000    9.962984    0.263798
    -0.000000   -0.000000   13.811900
   Si   O    H 
    32    64    10
Direct configuration=   230
   0.16743010  0.16300466  0.01239769
   0.42023837  0.08014257  0.37769845
   0.15203093  0.40737281  0.13995806
   0.39448522  0.34254533  0.26821705
   0.16116596  0.15423995  0.49649489
   0.40851889  0.10743814  0.88814845
   0.12887768  0.38551050  0.60818498
   0.35815406  0.37648344  0.76067945
   0.15723143  0.66595192  0.00957459
   0.39382285  0.58797086  0.37466768
   0.07668476  0.90902383  0.14373604
   0.33418159  0.83639209  0.25610446
   0.13903868  0.65825881  0.49113585
   0.39874841  0.62944127  0.88774392
   0.08976249  0.90392829  0.62504155
   0.34820435  0.93359197  0.73545427
   0.65698726  0.14273924  1.00239400
   0.89178591  0.11636208  0.38539135
   0.63316062  0.40175117  0.12027102
   0.90699169  0.30755083  0.21161974
   0.65545497  0.18121618  0.51092636
   0.92234173  0.09808486  0.88912844
   0.60521354  0.42809090  0.62809913
   0.77409798  0.34091784  0.79993561
   0.65541905  0.66476705  0.00491941
   0.88164062  0.60085990  0.37236024
   0.58770496  0.91426355  0.14111322
   0.82170619  0.85733446  0.26264008
   0.63048661  0.65297554  0.47713282
   0.90293343  0.61040354  0.88418861
   0.62776730  0.93490930  0.65212943
   0.86079327  0.87010383  0.76451514
   0.10357619  0.06779762  0.10391293
   0.38779287  0.18497951  0.28795367
   0.14735418  0.31519096  0.04594350
   0.35567620  0.42411793  0.36654426
   0.53988124  0.37913934  0.21231072
   0.29549909  0.40692633  0.18750173
   0.30381842  0.09272604  0.45845390
   0.04876922  0.13898402  0.40763177
   0.11748300  0.07149284  0.59869911
   0.39766573  0.21237050  0.79351794
   0.19294088  0.30565613  0.52232797
   0.37081500  0.47467966  0.85118497
   0.46926686  0.40254272  0.67716816
   0.21054265  0.39061864  0.71060091
   0.33190714  0.18613450 -0.02832797
   0.07774351  0.15403099  0.91653421
   0.11215875  0.55924047  0.09927972
   0.37062266  0.68050004  0.27477442
   0.11627533  0.81880101  0.05002190
   0.38972811  0.93662440  0.33341028
   0.43043230  0.88757953  0.16508654
   0.17897700  0.87172261  0.22960534
   0.28641995  0.64343302  0.44953863
   0.02852029  0.63746083  0.40587117
   0.11503157  0.54755558  0.57779702
   0.35231404  0.71719131  0.78856404
   0.09451485  0.80040516  0.54100548
   0.35938866  0.96429574  0.85127944
   0.48060108  0.87111769  0.67230480
   0.21830581  0.84805331  0.69116867
   0.31331078  0.64702369 -0.01488480
   0.05995013  0.63144301  0.91776490
   0.60741833  0.06992114  0.10662679
   0.82571946  0.21747318  0.30582391
   0.64204690  0.30101461  0.03842020
   0.86706907  0.44823795  0.33175179
   0.05489021  0.36940553  0.22943407
   0.78116166  0.39774164  0.16640345
   0.80986693  0.14338052  0.48214653
   0.56680721  0.11320110  0.42071709
   0.61469566  0.09923063  0.61261497
   0.86918960  0.20713207  0.80591885
   0.64384604  0.34378014  0.52831133
   0.86722063  0.45567555  0.85764258
   0.98646561  0.31835456  0.63096964
   0.72667599  0.37227416  0.69413148
   0.81130391  0.08873977  0.98293150
   0.56304367  0.09082756  0.91359319
   0.60210834  0.55019965  0.08255767
   0.82015513  0.69618803  0.28664018
   0.64666427  0.81325029  0.06200274
   0.87272594  0.95195778  0.35326309
   0.91663330  0.87936053  0.17007370
   0.66870254  0.88525444  0.23944345
   0.79351741  0.61396845  0.46567455
   0.55301815  0.59884013  0.38864488
   0.59623510  0.58166193  0.58578179
   0.87873229  0.70754548  0.78686276
   0.59343828  0.80973867  0.47009604
   0.94101048  0.94881846  0.85419674
   0.93991662  0.89588717  0.66332038
   0.70843077  0.92767534  0.76296606
   0.79735600  0.65382902  0.95999079
   0.55485044  0.67198165  0.90857384
   0.72481741  0.86161788  0.60259054
   0.67293788  0.87417549  0.45818246
   0.93989819  0.24989132  0.11033408
   0.79263568  0.40620318  0.34017165
   0.31480470  0.06587100  0.68307594
   0.27517474  0.68850461  0.74828703
  -0.03183408  1.16556341  0.16421090
   0.23581617  1.00217655  0.00486004
   0.64739835  0.33151146  0.85927063
   0.89860608  0.34231775  0.59659797
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950891   -0.106247   -0.013461
    -0.000000    9.963030    0.265903
    -0.000000   -0.000000   13.811632
   Si   O    H 
    32    64    10
Direct configuration=   231
   0.16730389  0.16319047  0.01187656
   0.41996986  0.07929990  0.37811165
   0.14965146  0.40779106  0.13836722
   0.39388852  0.34087354  0.26790242
   0.16051005  0.15445516  0.49775234
   0.40842529  0.10624598  0.88828411
   0.12920566  0.38514545  0.60781717
   0.35892027  0.37583523  0.76195170
   0.15679426  0.66593801  0.01050384
   0.39379246  0.58844308  0.37446564
   0.07561754  0.90938569  0.14349413
   0.33356632  0.83797102  0.25564477
   0.13985357  0.65861007  0.49158631
   0.39909341  0.62978648  0.88767166
   0.09004230  0.90543181  0.62593645
   0.34608566  0.93409479  0.73513610
   0.65572335  0.14223188  1.00283142
   0.89104026  0.11705892  0.38385779
   0.63364165  0.39999601  0.12045919
   0.90609908  0.30905059  0.21214153
   0.65485825  0.17993204  0.51104586
   0.92249284  0.09923440  0.88933616
   0.60472084  0.42747769  0.62797538
   0.77508011  0.34028697  0.80005039
   0.65359144  0.66510634  0.00551945
   0.87982740  0.60171438  0.37201322
   0.58806035  0.91388476  0.14106597
   0.82235271  0.85982075  0.26306209
   0.63148873  0.65348404  0.47797323
   0.90219277  0.61055571  0.88345839
   0.62622146  0.93559044  0.65166647
   0.86117033  0.87047723  0.76336757
   0.10240510  0.07005131  0.10522444
   0.38927120  0.18425365  0.28865706
   0.14749770  0.31646849  0.04597479
   0.35621752  0.42509661  0.36631519
   0.53961327  0.37921812  0.21224307
   0.29380288  0.40699971  0.18768406
   0.30273266  0.09387808  0.45814170
   0.04956900  0.14087490  0.40774829
   0.11580460  0.07025788  0.59880417
   0.39826879  0.21471100  0.79307831
   0.19123258  0.30526385  0.52214842
   0.37154360  0.47317480  0.84939433
   0.46908104  0.40157275  0.67661571
   0.21117783  0.38839858  0.71086827
   0.33187690  0.18610747 -0.02915028
   0.07854575  0.15593655  0.91548487
   0.11290329  0.55812292  0.10018700
   0.37018813  0.67992492  0.27382589
   0.11867949  0.81898363  0.05071328
   0.39081919  0.93794852  0.33334433
   0.42774587  0.88553102  0.16631844
   0.18096502  0.87152311  0.23126972
   0.28649319  0.64354575  0.44882205
   0.02746375  0.63656940  0.40531001
   0.11464069  0.54785120  0.57776057
   0.35346813  0.71667313  0.78763676
   0.09536355  0.80084368  0.54110192
   0.36015247  0.96318098  0.85114546
   0.47932478  0.87258421  0.67329802
   0.21863305  0.84797321  0.69209562
   0.31427938  0.64878423 -0.01448984
   0.05942368  0.63152443  0.91615619
   0.60774223  0.06989017  0.10648140
   0.82565352  0.21660995  0.30552202
   0.64199553  0.29929394  0.03766234
   0.86737546  0.45068164  0.33273908
   0.05424834  0.36914905  0.23036491
   0.78305134  0.39780207  0.16664253
   0.81109184  0.14543289  0.48180519
   0.56578640  0.11413538  0.42026431
   0.61630961  0.10120102  0.61379505
   0.86852855  0.20907149  0.80584015
   0.64564119  0.34244974  0.52863659
   0.86605200  0.45471277  0.85647891
   0.98772576  0.31846904  0.63033390
   0.72530798  0.37185443  0.69501763
   0.81196569  0.08938301  0.98381289
   0.56337661  0.09036842  0.91353441
   0.60234542  0.55053101  0.08193406
   0.82083739  0.69694050  0.28604399
   0.64654625  0.81185712  0.06201862
   0.87322260  0.95143612  0.35232218
   0.91552289  0.87913587  0.17073006
   0.67011007  0.88442800  0.23963388
   0.79260942  0.61284682  0.46649093
   0.55359061  0.59857102  0.38980002
   0.59611870  0.58147147  0.58572643
   0.87857093  0.70775142  0.78710027
   0.59524188  0.80986286  0.47053307
   0.94112698  0.94901844  0.85470652
   0.93994906  0.89666213  0.66366260
   0.70845799  0.92619805  0.76312947
   0.79690537  0.65213975  0.95858398
   0.55620434  0.67300558  0.90809224
   0.73428612  0.86404646  0.59608614
   0.67284448  0.85886418  0.45913224
   0.94002964  0.25562530  0.10944912
   0.77781878  0.39824779  0.34521963
   0.31009791  0.05933618  0.68558517
   0.27906346  0.68609129  0.75156973
  -0.02069951  1.15620379  0.15928796
   0.23899357  1.01535577  0.00439177
   0.65217374  0.33030215  0.86214315
   0.90447764  0.33990199  0.59376048
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949112   -0.104595   -0.015778
    -0.000000    9.963018    0.268176
    -0.000000   -0.000000   13.811868
   Si   O    H 
    32    64    10
Direct configuration=   232
   0.16734893  0.16394241  0.01156439
   0.41971075  0.07815173  0.37853178
   0.14808750  0.40802867  0.13717771
   0.39340739  0.33928531  0.26736619
   0.15962016  0.15449716  0.49927419
   0.40794876  0.10532354  0.88819648
   0.12897840  0.38558042  0.60759637
   0.35991199  0.37477871  0.76289562
   0.15624768  0.66664362  0.01168448
   0.39358386  0.58934810  0.37420424
   0.07465676  0.90950880  0.14285798
   0.33383358  0.83945940  0.25483028
   0.14031592  0.65896351  0.49202855
   0.39933150  0.62965950  0.88728908
   0.09093001  0.90669118  0.62672321
   0.34462708  0.93403271  0.73480878
   0.65545868  0.14155185  1.00311326
   0.89020669  0.11758054  0.38260355
   0.63417668  0.39906392  0.12084028
   0.90507306  0.31027473  0.21259032
   0.65453897  0.17798555  0.51098225
   0.92263215  0.10064797  0.88947135
   0.60441722  0.42723735  0.62754472
   0.77602750  0.33964260  0.80032986
   0.65198640  0.66598984  0.00628684
   0.87811229  0.60232564  0.37125306
   0.58766514  0.91349166  0.14084400
   0.82324206  0.86213831  0.26390694
   0.63317989  0.65483431  0.47873668
   0.90252689  0.60957573  0.88267281
   0.62498183  0.93621561  0.65132950
   0.86163295  0.87112810  0.76225416
   0.10127169  0.07191321  0.10712115
   0.39084138  0.18388291  0.28917697
   0.14769408  0.31747261  0.04597027
   0.35695928  0.42539415  0.36594196
   0.53930248  0.37863778  0.21213215
   0.29269186  0.40804719  0.18816314
   0.30246243  0.09555649  0.45800122
   0.04981006  0.14248154  0.40777632
   0.11399607  0.06863109  0.59788165
   0.39838397  0.21693997  0.79308366
   0.18972028  0.30499313  0.52205447
   0.37157711  0.47237568  0.84804476
   0.46739882  0.40152419  0.67672674
   0.21187133  0.38563528  0.71128259
   0.33112195  0.18524292 -0.02979216
   0.07763536  0.15822720  0.91419407
   0.11406869  0.55835826  0.10097970
   0.37015065  0.67910615  0.27324680
   0.12066683  0.81906478  0.05124588
   0.39215576  0.93926576  0.33418360
   0.42520321  0.88423722  0.16678350
   0.18182014  0.87090370  0.23230738
   0.28718893  0.64493614  0.44866116
   0.02690166  0.63521597  0.40526884
   0.11441453  0.54870508  0.57774847
   0.35525679  0.71537572  0.78659137
   0.09624530  0.80159974  0.54095761
   0.36063252  0.96175216  0.85106018
   0.47889098  0.87401329  0.67438480
   0.21906559  0.84686597  0.69332896
   0.31513527  0.65051949 -0.01333708
   0.05913064  0.63167956  0.91455450
   0.60742804  0.06994875  0.10675579
   0.82578352  0.21572166  0.30450317
   0.64137992  0.29663154  0.03611085
   0.86719034  0.45152362  0.33352712
   0.05317137  0.36905413  0.23106033
   0.78570812  0.39844721  0.16722883
   0.81269229  0.14723757  0.48182092
   0.56481529  0.11540631  0.42017092
   0.61796578  0.10216827  0.61457918
   0.86784757  0.21156593  0.80542630
   0.64666638  0.34113149  0.52827476
   0.86478854  0.45365565  0.85457070
   0.98866495  0.31841235  0.62929076
   0.72488125  0.37223606  0.69551024
   0.81212386  0.09009026  0.98469855
   0.56419778  0.08973952  0.91461588
   0.60255638  0.55126447  0.08132490
   0.82151461  0.69818585  0.28556071
   0.64622740  0.81063638  0.06204411
   0.87367721  0.95180904  0.35178397
   0.91606318  0.87853599  0.17132029
   0.67194823  0.88429270  0.23997875
   0.79167303  0.61187875  0.46754030
   0.55463709  0.59762265  0.39107327
   0.59602408  0.58092620  0.58568197
   0.87837912  0.70726288  0.78657386
   0.59557886  0.80953397  0.47161348
   0.94016321  0.94879511  0.85435221
   0.94083684  0.89773803  0.66380317
   0.70828977  0.92471111  0.76309900
   0.79633363  0.65103807  0.95791628
   0.55719791  0.67385478  0.90789430
   0.73988593  0.87035137  0.59041022
   0.68395230  0.85738117  0.45945565
   0.93385577  0.26245059  0.10821204
   0.77245131  0.39812220  0.34887681
   0.30836550  0.05604030  0.68616235
   0.27850603  0.68180697  0.75197261
  -0.01015258  1.14985513  0.15490095
   0.23994232  1.02347697  0.00642169
   0.65701577  0.32675116  0.86474019
   0.91161765  0.33885051  0.59370267
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947177   -0.103173   -0.018005
    -0.000000    9.963260    0.270304
    -0.000000   -0.000000   13.811982
   Si   O    H 
    32    64    10
Direct configuration=   233
   0.16737918  0.16469701  0.01168573
   0.41933654  0.07739692  0.37887239
   0.14760807  0.40749804  0.13602239
   0.39272580  0.33807413  0.26625611
   0.15902916  0.15479270  0.49995123
   0.40758813  0.10523603  0.88730553
   0.12856402  0.38606134  0.60785933
   0.36116037  0.37288860  0.76380110
   0.15575318  0.66694198  0.01297078
   0.39311931  0.58995991  0.37364920
   0.07395332  0.90959340  0.14264901
   0.33423407  0.84078275  0.25440532
   0.13986347  0.65966668  0.49234047
   0.39985327  0.62937118  0.88646803
   0.09213673  0.90762774  0.62770282
   0.34314320  0.93323414  0.73493876
   0.65585008  0.14125683  1.00363572
   0.88972138  0.11809715  0.38160188
   0.63488248  0.39830778  0.12124999
   0.90384124  0.31088567  0.21305128
   0.65416989  0.17603514  0.51047263
   0.92364346  0.10240455  0.88988196
   0.60378046  0.42654480  0.62709359
   0.77699052  0.33917805  0.80094061
   0.65026125  0.66689775  0.00648886
   0.87699741  0.60275390  0.37075869
   0.58743659  0.91283045  0.14105659
   0.82402183  0.86367659  0.26475067
   0.63453737  0.65571604  0.47985480
   0.90274367  0.60817312  0.88189574
   0.62361552  0.93668992  0.65095255
   0.86205206  0.87160893  0.76113524
   0.10054208  0.07420363  0.10962543
   0.39261576  0.18316959  0.29007587
   0.14837063  0.31847930  0.04569576
   0.35772400  0.42606689  0.36558175
   0.53944192  0.37766430  0.21234446
   0.29129356  0.40876834  0.18902415
   0.30207418  0.09655609  0.45833568
   0.04993913  0.14344114  0.40751936
   0.11308736  0.06600043  0.59704377
   0.39807611  0.21950970  0.79312660
   0.18832530  0.30494208  0.52223337
   0.37188598  0.47228446  0.84724590
   0.46524875  0.40103275  0.67677001
   0.21208976  0.38257902  0.71121120
   0.33018424  0.18345491 -0.03042863
   0.07616530  0.16043128  0.91255388
   0.11427612  0.55877854  0.10201922
   0.36912292  0.67853851  0.27354624
   0.12266373  0.81978496  0.05168764
   0.39294898  0.93969741  0.33503441
   0.42343629  0.88261797  0.16664371
   0.18160987  0.87022287  0.23359629
   0.28741276  0.64647020  0.44867653
   0.02662702  0.63441905  0.40540841
   0.11491565  0.54850144  0.57776548
   0.35686359  0.71296970  0.78580662
   0.09691716  0.80168398  0.54072367
   0.36045403  0.96010531  0.85110143
   0.47894134  0.87549702  0.67499370
   0.21872904  0.84511653  0.69431735
   0.31564353  0.65248720 -0.01177779
   0.05954114  0.63169099  0.91354381
   0.60755030  0.06997075  0.10695295
   0.82714689  0.21507369  0.30317811
   0.64131435  0.29328142  0.03469162
   0.86707433  0.45215735  0.33403253
   0.05277507  0.36946271  0.23174102
   0.78716321  0.39839274  0.16781741
   0.81379890  0.14909479  0.48214110
   0.56447244  0.11553512  0.42045750
   0.61961944  0.10341106  0.61529360
   0.86757389  0.21332766  0.80508567
   0.64692004  0.34032510  0.52809097
   0.86400423  0.45292206  0.85336816
   0.98908369  0.31866451  0.62835127
   0.72407062  0.37278295  0.69542131
   0.81177436  0.09061865  0.98502597
   0.56480784  0.09033648  0.91565065
   0.60285907  0.55142303  0.08008658
   0.82175729  0.69983031  0.28530860
   0.64601934  0.80999347  0.06202566
   0.87418495  0.95307940  0.35153103
   0.91783011  0.87811464  0.17122737
   0.67380260  0.88473275  0.23996524
   0.79059504  0.61101996  0.46837741
   0.55511801  0.59562454  0.39181013
   0.59635411  0.58096840  0.58527855
   0.87800616  0.70638499  0.78641452
   0.59534442  0.80928689  0.47209994
   0.93933002  0.94845257  0.85375475
   0.94200389  0.89850462  0.66363600
   0.70755349  0.92318335  0.76325631
   0.79628424  0.65012732  0.95821758
   0.55723073  0.67392632  0.90796479
   0.74187017  0.87890411  0.58622999
   0.69176798  0.85596520  0.46149168
   0.92327784  0.26489021  0.11172500
   0.77562559  0.40461859  0.34993304
   0.30637194  0.06217280  0.68470273
   0.27699535  0.67703838  0.75165394
  -0.00099510  1.14831581  0.15044922
   0.23749817  1.02386527  0.00783039
   0.66302462  0.32560148  0.86561195
   0.90908199  0.34096416  0.58888184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945458   -0.101071   -0.020691
    -0.000000    9.963568    0.272313
    -0.000000   -0.000000   13.812478
   Si   O    H 
    32    64    10
Direct configuration=   234
   0.16765957  0.16512531  0.01179653
   0.41887966  0.07734202  0.37940799
   0.14693633  0.40650171  0.13513441
   0.39218670  0.33750149  0.26530584
   0.15822359  0.15465718  0.50054767
   0.40681686  0.10546148  0.88678609
   0.12906469  0.38695238  0.60784909
   0.36261015  0.37072336  0.76409828
   0.15534946  0.66792368  0.01442941
   0.39314344  0.59012940  0.37319933
   0.07367601  0.90989174  0.14240404
   0.33423588  0.84204232  0.25412899
   0.13916577  0.66086391  0.49286655
   0.40043571  0.62872658  0.88618055
   0.09382599  0.90799503  0.62842258
   0.34244833  0.93202791  0.73463266
   0.65594316  0.14081422  1.00416600
   0.88943347  0.11805419  0.38067211
   0.63547091  0.39777823  0.12156508
   0.90276767  0.31038859  0.21370045
   0.65322820  0.17359818  0.51038159
   0.92433232  0.10429558  0.88999862
   0.60368619  0.42607374  0.62643928
   0.77829605  0.33871983  0.80114848
   0.64847227  0.66791547  0.00682823
   0.87601678  0.60294910  0.36992303
   0.58725725  0.91212201  0.14145891
   0.82528156  0.86463610  0.26560998
   0.63563051  0.65640799  0.48144184
   0.90283106  0.60717495  0.88093768
   0.62314454  0.93675496  0.65070126
   0.86247452  0.87183988  0.76043788
   0.10028031  0.07581274  0.11221473
   0.39473648  0.18315670  0.29065744
   0.14886868  0.31928298  0.04534378
   0.35811646  0.42640666  0.36548661
   0.53840043  0.37601247  0.21255580
   0.29033562  0.40944613  0.18930939
   0.30175007  0.09747361  0.45825283
   0.04957794  0.14469207  0.40722011
   0.11182422  0.06358251  0.59608712
   0.39765963  0.22107160  0.79420866
   0.18690159  0.30517527  0.52267224
   0.37195423  0.47270153  0.84730145
   0.46330922  0.40078882  0.67661461
   0.21250056  0.37968427  0.71087946
   0.32863778  0.18270635 -0.03055815
   0.07407034  0.16298948  0.91110737
   0.11436228  0.56005596  0.10324870
   0.36818396  0.67765714  0.27424517
   0.12434443  0.82018796  0.05199010
   0.39405539  0.93990450  0.33579989
   0.42212277  0.88095103  0.16575846
   0.18043532  0.87054696  0.23444372
   0.28674200  0.64755570  0.44870067
   0.02767650  0.63316467  0.40575001
   0.11557740  0.54724268  0.57805047
   0.35869609  0.71073578  0.78533978
   0.09809478  0.80193479  0.54037801
   0.36006421  0.95872197  0.85123714
   0.47880757  0.87752670  0.67601549
   0.21760206  0.84417883  0.69480925
   0.31651812  0.65455002 -0.01014813
   0.05998377  0.63237065  0.91279366
   0.60838554  0.06954084  0.10700502
   0.82790892  0.21448268  0.30191039
   0.64080181  0.29129907  0.03370536
   0.86639695  0.45160678  0.33485759
   0.05226392  0.36933720  0.23214721
   0.78824119  0.39854383  0.16787354
   0.81451410  0.15059855  0.48226226
   0.56488124  0.11625340  0.42084080
   0.62117666  0.10395229  0.61558232
   0.86853835  0.21403361  0.80523597
   0.64654839  0.34014287  0.52778648
   0.86427958  0.45289523  0.85224704
   0.98819962  0.31827280  0.62747310
   0.72349662  0.37437487  0.69511090
   0.81113441  0.09158230  0.98516750
   0.56515939  0.09125045  0.91678638
   0.60278136  0.55155625  0.07978594
   0.82345039  0.70169848  0.28505830
   0.64632457  0.80878339  0.06185569
   0.87487091  0.95400782  0.35222348
   0.91956420  0.87825331  0.17144423
   0.67408041  0.88551554  0.23916780
   0.78989264  0.61079857  0.46943423
   0.55558268  0.59421653  0.39231877
   0.59640294  0.58112902  0.58471678
   0.87743992  0.70565357  0.78619291
   0.59664575  0.80998440  0.47322091
   0.93882892  0.94870821  0.85261702
   0.94315895  0.89952970  0.66380085
   0.70756842  0.92158098  0.76372051
   0.79614314  0.64926361  0.95897374
   0.55687900  0.67411986  0.90826013
   0.73531614  0.89055738  0.58662672
   0.68926485  0.85363501  0.46627456
   0.91147273  0.26100119  0.11799649
   0.78981243  0.41232031  0.35052161
   0.30581162  0.06734757  0.68382085
   0.27803113  0.67043749  0.74838857
   0.00466401  1.15015286  0.14901816
   0.23328501  1.02086303  0.00913351
   0.66685130  0.32462750  0.86545104
   0.90496352  0.34213761  0.58393135
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943674   -0.098601   -0.023645
    -0.000000    9.963895    0.273907
    -0.000000   -0.000000   13.813168
   Si   O    H 
    32    64    10
Direct configuration=   235
   0.16903973  0.16521638  0.01151156
   0.41777683  0.07761022  0.37977236
   0.14667201  0.40585776  0.13476069
   0.39202019  0.33849416  0.26420948
   0.15761089  0.15403000  0.50086907
   0.40634429  0.10613303  0.88586451
   0.12919036  0.38828443  0.60761391
   0.36373415  0.36859894  0.76454269
   0.15466487  0.66875637  0.01577303
   0.39314669  0.59048371  0.37262134
   0.07377793  0.91007521  0.14275085
   0.33373806  0.84292215  0.25423485
   0.13806354  0.66208307  0.49357061
   0.40077552  0.62832912  0.88624259
   0.09580285  0.90855522  0.62903015
   0.34163023  0.93136032  0.73426930
   0.65601741  0.14008300  1.00464939
   0.88907992  0.11845169  0.38033853
   0.63615020  0.39811946  0.12223638
   0.90144564  0.30924874  0.21422651
   0.65264013  0.17160061  0.51089453
   0.92469770  0.10556292  0.88988853
   0.60360549  0.42525351  0.62526419
   0.77979887  0.33825427  0.80127075
   0.64709101  0.66898115  0.00718827
   0.87592383  0.60290619  0.36904616
   0.58676454  0.91158992  0.14165121
   0.82631224  0.86439586  0.26642762
   0.63683206  0.65683056  0.48317663
   0.90259804  0.60539976  0.88021441
   0.62293787  0.93716717  0.65079362
   0.86309300  0.87190485  0.76024419
   0.10022216  0.07773335  0.11457468
   0.39673062  0.18353909  0.29125195
   0.14918907  0.31960804  0.04458757
   0.35915017  0.42738499  0.36530742
   0.53772625  0.37433446  0.21340567
   0.28943117  0.41024318  0.18995431
   0.30110584  0.09840075  0.45873019
   0.04859731  0.14554180  0.40696143
   0.11117534  0.06037210  0.59507164
   0.39749326  0.22120746  0.79538397
   0.18606505  0.30544708  0.52296711
   0.37192939  0.47369413  0.84783682
   0.46096900  0.40043232  0.67673879
   0.21330519  0.37707007  0.71053111
   0.32686227  0.18261723 -0.03050824
   0.07166235  0.16573183  0.90972533
   0.11451158  0.56174902  0.10401705
   0.36747189  0.67817630  0.27484946
   0.12503275  0.82031500  0.05213459
   0.39463878  0.93927011  0.33649924
   0.42203701  0.87961995  0.16430596
   0.17895896  0.87059094  0.23460864
   0.28659061  0.64911534  0.44956647
   0.02844451  0.63227546  0.40613790
   0.11554881  0.54613227  0.57785198
   0.36067643  0.70863491  0.78466990
   0.09919485  0.80251385  0.53999544
   0.36014563  0.95811233  0.85136503
   0.47794123  0.87912953  0.67710874
   0.21555579  0.84415731  0.69512662
   0.31831597  0.65647341 -0.00866947
   0.05990061  0.63286837  0.91243357
   0.60932762  0.06788872  0.10714360
   0.82807481  0.21544886  0.30027840
   0.64050756  0.28994122  0.03261741
   0.86690770  0.45150406  0.33565815
   0.05217915  0.36957472  0.23236209
   0.78890191  0.39881342  0.16701628
   0.81514072  0.15159468  0.48314754
   0.56502767  0.11694940  0.42126006
   0.62228145  0.10410466  0.61605133
   0.86930114  0.21253519  0.80587792
   0.64546680  0.33991809  0.52782379
   0.86513817  0.45306798  0.85171491
   0.98655518  0.31815435  0.62670218
   0.72235599  0.37719768  0.69525123
   0.81060949  0.09263458  0.98496079
   0.56458776  0.09247311  0.91779244
   0.60211204  0.55097944  0.07965514
   0.82482355  0.70281873  0.28502079
   0.64680752  0.80789049  0.06231559
   0.87603856  0.95612059  0.35292550
   0.92213024  0.87845635  0.17104831
   0.67381384  0.88744539  0.23919733
   0.78908868  0.61162527  0.47011181
   0.55625567  0.59325425  0.39235699
   0.59608721  0.58043892  0.58477636
   0.87624332  0.70568974  0.78557404
   0.59876837  0.81111656  0.47436458
   0.93818413  0.94886832  0.85108395
   0.94499391  0.90000473  0.66445846
   0.70811406  0.92009437  0.76398449
   0.79554238  0.64826207  0.95989127
   0.55652321  0.67442362  0.90837612
   0.72661489  0.89941845  0.58890566
   0.67697458  0.85592007  0.46888549
   0.90415510  0.24908618  0.12256452
   0.78683624  0.41364821  0.35320402
   0.30750486  0.06958212  0.68595738
   0.28387887  0.67050425  0.74721516
   0.00546730  1.16007386  0.15072917
   0.22760079  1.01468244  0.01070295
   0.66571348  0.32173262  0.86759102
   0.90873959  0.34435458  0.58588858
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942045   -0.096018   -0.025791
    -0.000000    9.964122    0.275477
    -0.000000   -0.000000   13.813997
   Si   O    H 
    32    64    10
Direct configuration=   236
   0.17047827  0.16532783  0.01137140
   0.41680524  0.07752359  0.37980018
   0.14584512  0.40511456  0.13525574
   0.39183168  0.34009126  0.26299451
   0.15677752  0.15287433  0.50088476
   0.40620975  0.10717960  0.88508054
   0.12908331  0.38944871  0.60794796
   0.36477668  0.36689520  0.76476759
   0.15417864  0.67031723  0.01646331
   0.39314224  0.58997471  0.37261985
   0.07458548  0.91039639  0.14286650
   0.33341838  0.84415011  0.25468573
   0.13709399  0.66283565  0.49429792
   0.40060086  0.62730475  0.88592496
   0.09770776  0.90924122  0.62919317
   0.34087278  0.93053148  0.73368873
   0.65565740  0.13881754  1.00519124
   0.88937218  0.11869316  0.37983555
   0.63680665  0.39886990  0.12273035
   0.89984845  0.30836036  0.21449877
   0.65268011  0.16997251  0.51129540
   0.92502295  0.10645202  0.88980084
   0.60323086  0.42401882  0.62386170
   0.78124038  0.33784406  0.80128464
   0.64597724  0.67021269  0.00734894
   0.87612693  0.60294079  0.36835920
   0.58616941  0.91111968  0.14171350
   0.82755688  0.86399225  0.26663573
   0.63744624  0.65765334  0.48482740
   0.90265424  0.60430270  0.87963323
   0.62247824  0.93765408  0.65127670
   0.86344924  0.87180328  0.76049160
   0.09975421  0.07914169  0.11666485
   0.39873468  0.18475020  0.29190689
   0.14864648  0.32033085  0.04317611
   0.35951086  0.42823337  0.36478632
   0.53716999  0.37261818  0.21478406
   0.28882037  0.41073796  0.19038601
   0.29979839  0.09903030  0.46010101
   0.04810187  0.14609785  0.40599612
   0.10992594  0.05798972  0.59452778
   0.39653778  0.22097274  0.79595383
   0.18530788  0.30573941  0.52296235
   0.37231266  0.47434366  0.84891755
   0.45876436  0.40073566  0.67662848
   0.21462900  0.37458003  0.71031113
   0.32481877  0.18244697 -0.03008140
   0.06962620  0.16812491  0.90883822
   0.11556009  0.56284548  0.10477159
   0.36770814  0.67858829  0.27533146
   0.12491765  0.82036000  0.05269139
   0.39617160  0.93807589  0.33663690
   0.42196745  0.87873971  0.16262185
   0.17759976  0.87000465  0.23470742
   0.28777029  0.65070411  0.44981038
   0.02888580  0.63111334  0.40598286
   0.11587793  0.54452914  0.57760583
   0.36256905  0.70617338  0.78393496
   0.09964410  0.80267263  0.53935130
   0.35983445  0.95752021  0.85163610
   0.47640308  0.88066396  0.67771385
   0.21377224  0.84436906  0.69613181
   0.31966165  0.65765223 -0.00744026
   0.06017535  0.63360957  0.91256739
   0.61036729  0.06623814  0.10696275
   0.82851781  0.21677403  0.29793009
   0.63961804  0.28917477  0.03172671
   0.86795587  0.45147774  0.33660424
   0.05166266  0.37015004  0.23238186
   0.78905634  0.39968568  0.16610450
   0.81540242  0.15129977  0.48401492
   0.56502584  0.11781606  0.42152286
   0.62269478  0.10405083  0.61617571
   0.87005986  0.21063043  0.80689937
   0.64403916  0.33954106  0.52782851
   0.86531907  0.45398699  0.85108752
   0.98491416  0.31809105  0.62553712
   0.72083188  0.38085764  0.69556277
   0.81026556  0.09391549  0.98442000
   0.56398797  0.09327315  0.91871311
   0.60115071  0.54955212  0.08021238
   0.82548652  0.70428287  0.28482003
   0.64673344  0.80678063  0.06271922
   0.87722276  0.95867126  0.35335003
   0.92579038  0.87849437  0.17071177
   0.67413759  0.88946332  0.23921272
   0.78804592  0.61254774  0.47010055
   0.55734119  0.59213695  0.39231034
   0.59566089  0.57923591  0.58498137
   0.87539199  0.70608057  0.78488858
   0.59901841  0.81190008  0.47540005
   0.93770903  0.94924842  0.84956981
   0.94690659  0.90015083  0.66525702
   0.70845749  0.91847392  0.76373938
   0.79495110  0.64652098  0.96093338
   0.55517420  0.67391726  0.90845046
   0.72325647  0.90485116  0.58802223
   0.67789001  0.87056094  0.46746080
   0.89962025  0.23185382  0.12221888
   0.77157213  0.40668234  0.35759054
   0.31151816  0.06994445  0.68906313
   0.29092677  0.67186122  0.74568138
  -0.00130567  1.17349834  0.15469552
   0.22243535  1.00757509  0.01276407
   0.66238226  0.31844060  0.86742877
   0.91398915  0.34547718  0.58955262
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940545   -0.093328   -0.028585
    -0.000000    9.965048    0.277081
    -0.000000   -0.000000   13.814874
   Si   O    H 
    32    64    10
Direct configuration=   237
   0.17100263  0.16509804  0.01069593
   0.41599973  0.07765774  0.38017559
   0.14476242  0.40482531  0.13596147
   0.39196538  0.34278695  0.26211160
   0.15564326  0.15101737  0.50085810
   0.40679436  0.10859962  0.88375997
   0.12912467  0.39074695  0.60878482
   0.36486600  0.36567061  0.76512859
   0.15369749  0.67189345  0.01680010
   0.39286143  0.58901546  0.37238535
   0.07605222  0.91106698  0.14325218
   0.33301426  0.84483622  0.25507521
   0.13642190  0.66356876  0.49523374
   0.40020345  0.62653971  0.88599162
   0.09897853  0.90948021  0.62890833
   0.33992421  0.92973673  0.73333163
   0.65567428  0.13739447  1.00568509
   0.89006708  0.11877202  0.37958430
   0.63805269  0.39988596  0.12333250
   0.89795277  0.30759906  0.21426434
   0.65239899  0.16887249  0.51169935
   0.92364182  0.10731478  0.88995461
   0.60297671  0.42325160  0.62269203
   0.78256027  0.33760614  0.80131839
   0.64518413  0.67084488  0.00741593
   0.87661073  0.60269163  0.36789066
   0.58521223  0.91068730  0.14128639
   0.82873432  0.86353544  0.26653690
   0.63839556  0.65800785  0.48651277
   0.90256494  0.60376278  0.87913693
   0.62275403  0.93856299  0.65226609
   0.86312448  0.87138552  0.76094437
   0.09997158  0.08081825  0.11806659
   0.40045280  0.18610010  0.29310062
   0.14864321  0.32038335  0.04129972
   0.36058448  0.42826741  0.36391898
   0.53659493  0.37157322  0.21618935
   0.28859787  0.41148362  0.19097024
   0.29856267  0.09984033  0.46138631
   0.04844591  0.14706008  0.40555764
   0.10933545  0.05582685  0.59381314
   0.39681088  0.22001343  0.79705510
   0.18507488  0.30580214  0.52309001
   0.37317764  0.47557020  0.85012048
   0.45671866  0.40093589  0.67598662
   0.21590677  0.37210323  0.71010158
   0.32322144  0.18241128 -0.02965412
   0.06783928  0.17120480  0.90855995
   0.11630009  0.56440445  0.10577361
   0.36746367  0.68063991  0.27594020
   0.12458440  0.82074621  0.05293055
   0.39662006  0.93650111  0.33691218
   0.42333867  0.87884410  0.16105807
   0.17538882  0.86861521  0.23435320
   0.28844944  0.65217483  0.44985244
   0.02953510  0.63049669  0.40612953
   0.11646557  0.54283950  0.57749883
   0.36453696  0.70378210  0.78438856
   0.10063921  0.80335428  0.53911795
   0.36005702  0.95770848  0.85190344
   0.47509295  0.88190784  0.67817854
   0.21188672  0.84518409  0.69732924
   0.32097806  0.65812433 -0.00723169
   0.05975011  0.63415566  0.91326219
   0.61134845  0.06486098  0.10732610
   0.82865517  0.21759263  0.29602157
   0.63875002  0.28964811  0.03037213
   0.86843438  0.45126710  0.33765149
   0.05112791  0.37102329  0.23235330
   0.78899394  0.40035742  0.16503887
   0.81487471  0.15038120  0.48438418
   0.56487460  0.11924370  0.42213774
   0.62283553  0.10422193  0.61676464
   0.87117006  0.20819702  0.80770877
   0.64169904  0.33882321  0.52717271
   0.86578745  0.45579292  0.85105077
   0.98467162  0.31831400  0.62492916
   0.71931236  0.38365004  0.69577726
   0.81055949  0.09432177  0.98371585
   0.56319631  0.09364632  0.91928170
   0.60015120  0.54719320  0.08048996
   0.82597985  0.70489272  0.28474089
   0.64685274  0.80616684  0.06299342
   0.87865995  0.96053480  0.35361654
   0.92855394  0.87772974  0.17081268
   0.67377515  0.89102248  0.23963097
   0.78736543  0.61341685  0.47011072
   0.55782724  0.59155849  0.39234808
   0.59474266  0.57860542  0.58557198
   0.87469680  0.70640830  0.78393428
   0.59978195  0.81265030  0.47597073
   0.93706730  0.94952573  0.84803191
   0.94816460  0.90034236  0.66609907
   0.70843819  0.91702784  0.76326487
   0.79424217  0.64518365  0.96209320
   0.55334308  0.67365883  0.90849054
   0.72736330  0.90522129  0.58431821
   0.68041652  0.88626763  0.46629923
   0.89211423  0.21562901  0.12153951
   0.76866417  0.40470730  0.35922314
   0.31800853  0.07050755  0.69171512
   0.29373318  0.67296099  0.74190841
  -0.00898792  1.18467591  0.16346386
   0.21446805  1.00146322  0.01745892
   0.65727369  0.31809683  0.86539318
   0.90365003  0.34940466  0.58795742
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939001   -0.091658   -0.031129
    -0.000000    9.966460    0.278440
    -0.000000   -0.000000   13.815275
   Si   O    H 
    32    64    10
Direct configuration=   238
   0.17091277  0.16437624  0.00986063
   0.41514345  0.07814037  0.38105464
   0.14439232  0.40509584  0.13673261
   0.39229076  0.34547767  0.26186994
   0.15438898  0.14951747  0.50072609
   0.40750742  0.11031833  0.88287164
   0.12966905  0.39186532  0.60971622
   0.36462986  0.36472182  0.76570425
   0.15350262  0.67353381  0.01691950
   0.39284870  0.58815260  0.37184470
   0.07806037  0.91217595  0.14349485
   0.33286467  0.84514081  0.25519968
   0.13539548  0.66372375  0.49592587
   0.40012269  0.62550603  0.88575082
   0.10029069  0.90854801  0.62865917
   0.33940297  0.92891003  0.73310129
   0.65584774  0.13576679  1.00647870
   0.89043207  0.11880014  0.37982624
   0.63937159  0.40068668  0.12364033
   0.89657091  0.30675329  0.21451196
   0.65194728  0.16863886  0.51202439
   0.92207826  0.10798895  0.89011508
   0.60227409  0.42213754  0.62151812
   0.78343232  0.33733173  0.80142257
   0.64387040  0.67104333  0.00709881
   0.87629225  0.60265380  0.36789938
   0.58472797  0.90990914  0.14118103
   0.83004707  0.86321517  0.26635187
   0.63854374  0.65779434  0.48753144
   0.90225210  0.60364411  0.87869713
   0.62331746  0.93962671  0.65336339
   0.86239373  0.87073758  0.76165477
   0.10025101  0.08223278  0.11892400
   0.40217396  0.18641675  0.29377082
   0.14787426  0.32028990  0.03987310
   0.36219022  0.42809497  0.36366854
   0.53690454  0.37061049  0.21707302
   0.28855876  0.41211774  0.19116987
   0.29796842  0.10020470  0.46272810
   0.04839931  0.14720527  0.40515256
   0.10870940  0.05536154  0.59205510
   0.39757627  0.21842937  0.79791741
   0.18527006  0.30555205  0.52263326
   0.37409549  0.47625650  0.85187663
   0.45583420  0.40249530  0.67491212
   0.21688154  0.36960175  0.70974926
   0.32192950  0.18207374 -0.02972524
   0.06592577  0.17307721  0.90852753
   0.11681033  0.56627146  0.10710678
   0.36710003  0.68224574  0.27633766
   0.12391859  0.82113927  0.05398908
   0.39709373  0.93544828  0.33729999
   0.42526525  0.87878540  0.15968750
   0.17280775  0.86739440  0.23395099
   0.28932583  0.65353608  0.45006557
   0.03068277  0.63067566  0.40606872
   0.11656588  0.54195875  0.57747623
   0.36687395  0.70172437  0.78506799
   0.10172728  0.80490195  0.53910291
   0.36107684  0.95786395  0.85251718
   0.47409008  0.88300705  0.67881027
   0.20933440  0.84631276  0.69881528
   0.32108000  0.65889396 -0.00748342
   0.05979430  0.63473573  0.91445491
   0.61170085  0.06378132  0.10760451
   0.82938292  0.21715565  0.29429787
   0.63806446  0.29085119  0.02996976
   0.86759077  0.45088384  0.33852915
   0.05052771  0.37323569  0.23148276
   0.78816139  0.40148878  0.16393642
   0.81386149  0.14923012  0.48443762
   0.56489026  0.12058636  0.42264981
   0.62240369  0.10377233  0.61769884
   0.87213254  0.20507586  0.80844927
   0.63907843  0.33745315  0.52641212
   0.86720148  0.45829285  0.85112342
   0.98301602  0.31887846  0.62461579
   0.71807242  0.38601369  0.69642100
   0.81137603  0.09478404  0.98279497
   0.56214741  0.09345988  0.91933243
   0.59969835  0.54548709  0.08013049
   0.82628139  0.70531065  0.28502688
   0.64693010  0.80529484  0.06321850
   0.88008725  0.96214919  0.35366231
   0.93065008  0.87758872  0.17146596
   0.67277854  0.89342741  0.23997638
   0.78656734  0.61437233  0.47020581
   0.55900620  0.59108477  0.39287030
   0.59379825  0.57872177  0.58608218
   0.87389178  0.70651076  0.78323095
   0.60092468  0.81436350  0.47636951
   0.93643839  0.94934244  0.84694788
   0.94847777  0.90003537  0.66634643
   0.70799626  0.91654753  0.76181211
   0.79426117  0.64422327  0.96317290
   0.55155705  0.67325554  0.90829056
   0.73240517  0.90279175  0.58047897
   0.67258636  0.89132194  0.46467922
   0.87993601  0.20367856  0.11643158
   0.77473523  0.40974085  0.35595887
   0.32463687  0.06783930  0.69372568
   0.29368725  0.67595343  0.73890465
  -0.01401401  1.19169220  0.17064455
   0.20507947  0.99739571  0.02159345
   0.65413143  0.31870945  0.86346201
   0.89555760  0.35298295  0.58661291
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937861   -0.089903   -0.033258
    -0.000000    9.967952    0.279630
    -0.000000   -0.000000   13.815142
   Si   O    H 
    32    64    10
Direct configuration=   239
   0.17038293  0.16296242  0.00901176
   0.41418853  0.07883774  0.38203171
   0.14424129  0.40544625  0.13769549
   0.39281205  0.34790691  0.26212505
   0.15315408  0.14814801  0.50050920
   0.40794712  0.11174954  0.88209516
   0.12996111  0.39250394  0.61029797
   0.36484386  0.36385337  0.76610279
   0.15356430  0.67475377  0.01721205
   0.39264326  0.58784536  0.37152715
   0.08046295  0.91322176  0.14364875
   0.33303023  0.84474041  0.25515924
   0.13459709  0.66325139  0.49659610
   0.40024250  0.62450735  0.88562665
   0.10085344  0.90798930  0.62806208
   0.33945056  0.92812108  0.73323704
   0.65660308  0.13481316  1.00748680
   0.89104595  0.11896924  0.38032649
   0.64023656  0.40123702  0.12367301
   0.89552211  0.30611318  0.21453099
   0.65139740  0.16915482  0.51280050
   0.92064074  0.10808683  0.89055153
   0.60130026  0.42152890  0.62080480
   0.78321600  0.33705774  0.80150817
   0.64364231  0.67124600  0.00664285
   0.87579580  0.60280559  0.36808506
   0.58370420  0.90946161  0.14106498
   0.83064631  0.86354664  0.26610626
   0.63804574  0.65767519  0.48845048
   0.90252837  0.60396373  0.87824895
   0.62454074  0.94113274  0.65439143
   0.86239105  0.87002978  0.76234510
   0.10046436  0.08263164  0.12024138
   0.40286930  0.18743342  0.29370443
   0.14703472  0.31989221  0.03848929
   0.36328318  0.42728248  0.36325190
   0.53735300  0.36973561  0.21716652
   0.28850608  0.41296657  0.19117744
   0.29786518  0.10002434  0.46314544
   0.04817263  0.14773232  0.40520191
   0.10825367  0.05618855  0.59024514
   0.39923668  0.21625380  0.79927569
   0.18478672  0.30524473  0.52269452
   0.37425177  0.47551803  0.85372597
   0.45579245  0.40359512  0.67313517
   0.21692590  0.36720223  0.70943665
   0.32144053  0.18179063 -0.03014678
   0.06455334  0.17499529  0.90940409
   0.11749656  0.56815466  0.10808084
   0.36695145  0.68424280  0.27609287
   0.12351808  0.82156014  0.05476110
   0.39696006  0.93387369  0.33775885
   0.42642652  0.87860991  0.15831178
   0.17118032  0.86705882  0.23385304
   0.29061657  0.65523746  0.45083754
   0.03144398  0.63057116  0.40552895
   0.11687701  0.54140686  0.57708910
   0.36858028  0.69981853  0.78492042
   0.10299611  0.80667247  0.53881441
   0.36277963  0.95744928  0.85303168
   0.47304989  0.88354995  0.67847872
   0.20713984  0.84666645  0.70027953
   0.32060466  0.65875591 -0.00799590
   0.05980096  0.63475286  0.91536258
   0.61255285  0.06314778  0.10796085
   0.82953980  0.21685256  0.29284875
   0.63727685  0.29227095  0.03024241
   0.86580955  0.44949305  0.34005604
   0.05013700  0.37576562  0.23064054
   0.78723395  0.40259443  0.16307569
   0.81272538  0.14834502  0.48425077
   0.56511088  0.12167856  0.42364162
   0.62177392  0.10392071  0.61797733
   0.87301242  0.20342467  0.80917446
   0.63681975  0.33563411  0.52572016
   0.86902176  0.46000680  0.85123008
   0.98094532  0.31915803  0.62367563
   0.71789137  0.38920655  0.69627396
   0.81262925  0.09611120  0.98218064
   0.56106028  0.09342754  0.91853052
   0.59951735  0.54339780  0.07971617
   0.82708743  0.70539064  0.28568646
   0.64733554  0.80522455  0.06302336
   0.88184313  0.96314575  0.35406554
   0.93069434  0.87748319  0.17209896
   0.67222764  0.89577046  0.24077054
   0.78602416  0.61496963  0.47017160
   0.55913918  0.59075941  0.39365560
   0.59252330  0.57886224  0.58667922
   0.87371260  0.70633386  0.78300365
   0.60303977  0.81648950  0.47693464
   0.93585683  0.94947430  0.84663102
   0.94840444  0.89993562  0.66637633
   0.70731503  0.91577428  0.75984246
   0.79498775  0.64313948  0.96410971
   0.55030059  0.67271372  0.90834509
   0.73278676  0.89774323  0.57927502
   0.65847863  0.88615914  0.46564161
   0.87105790  0.19427261  0.11355521
   0.78586839  0.41754659  0.35030041
   0.33019867  0.06339691  0.69574183
   0.29566552  0.67928552  0.73644944
  -0.01919658  1.18929147  0.17378728
   0.19683581  0.99733061  0.02047734
   0.65641622  0.31722563  0.85887729
   0.89919947  0.35384778  0.59164213
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936832   -0.088180   -0.034803
    -0.000000    9.969519    0.281017
    -0.000000   -0.000000   13.814862
   Si   O    H 
    32    64    10
Direct configuration=   240
   0.16902791  0.16181741  0.00846709
   0.41344440  0.07914340  0.38305958
   0.14408667  0.40630901  0.13840249
   0.39345341  0.34957637  0.26247708
   0.15157135  0.14797811  0.50007982
   0.40798461  0.11280514  0.88142786
   0.13061607  0.39308528  0.61075526
   0.36427221  0.36319347  0.76662809
   0.15390260  0.67520989  0.01683022
   0.39269239  0.58779414  0.37141311
   0.08218716  0.91412177  0.14391510
   0.33313294  0.84405311  0.25514681
   0.13433586  0.66297418  0.49702573
   0.40004475  0.62373716  0.88585679
   0.10070219  0.90732217  0.62718862
   0.33930556  0.92726157  0.73315084
   0.65705386  0.13406459  1.00824741
   0.89162587  0.11881569  0.38096030
   0.64090122  0.40189606  0.12345844
   0.89526542  0.30603708  0.21419986
   0.65125018  0.17032227  0.51345609
   0.91946709  0.10765247  0.89110967
   0.60100691  0.42110249  0.62010052
   0.78288326  0.33724853  0.80229671
   0.64386103  0.67067497  0.00634580
   0.87589848  0.60284137  0.36853209
   0.58271721  0.90883770  0.14102186
   0.83082142  0.86429396  0.26553039
   0.63743555  0.65749345  0.48918087
   0.90338430  0.60437006  0.87822821
   0.62533509  0.94220353  0.65504903
   0.86222015  0.86857767  0.76238615
   0.10055964  0.08384744  0.12104814
   0.40310098  0.18844423  0.29330148
   0.14639537  0.31992213  0.03803754
   0.36394958  0.42643492  0.36291832
   0.53818914  0.36842519  0.21670829
   0.28872402  0.41398591  0.19028826
   0.29774207  0.09944751  0.46328502
   0.04844839  0.14755426  0.40526891
   0.10812396  0.05624841  0.58817691
   0.40143455  0.21504078  0.79996453
   0.18396274  0.30519035  0.52264366
   0.37493756  0.47365316  0.85517466
   0.45674057  0.40441520  0.67113949
   0.21807266  0.36495433  0.70913498
   0.32186841  0.18145698 -0.03060083
   0.06316828  0.17651985  0.91089115
   0.11811192  0.56978807  0.10903237
   0.36722665  0.68692581  0.27610613
   0.12320819  0.82227295  0.05530998
   0.39679454  0.93294161  0.33837454
   0.42797429  0.87883027  0.15710227
   0.17040660  0.86712488  0.23375155
   0.29185436  0.65688368  0.45203761
   0.03239354  0.63002201  0.40475156
   0.11731389  0.54226271  0.57675088
   0.37010143  0.69879309  0.78473958
   0.10484853  0.80870913  0.53840078
   0.36388535  0.95781454  0.85385077
   0.47259531  0.88406212  0.67814855
   0.20492489  0.84650648  0.70194258
   0.31996497  0.65956930 -0.00836257
   0.05968557  0.63498491  0.91711498
   0.61321682  0.06338864  0.10778120
   0.82930027  0.21703475  0.29218524
   0.63584379  0.29383371  0.03083478
   0.86494247  0.44827866  0.34122714
   0.04974451  0.37820494  0.22996701
   0.78719262  0.40374634  0.16254925
   0.81185223  0.14782464  0.48411760
   0.56514885  0.12281609  0.42481784
   0.62173774  0.10383220  0.61834927
   0.87399034  0.20283360  0.80912475
   0.63579916  0.33419206  0.52461353
   0.87032329  0.46096681  0.85112537
   0.97895299  0.31990476  0.62327734
   0.71874516  0.39241480  0.69628278
   0.81429343  0.09719917  0.98175963
   0.56084117  0.09357272  0.91821680
   0.59870031  0.54198622  0.07895915
   0.82749481  0.70467879  0.28676191
   0.64710986  0.80512550  0.06306162
   0.88302239  0.96265069  0.35418341
   0.92984978  0.87734822  0.17256335
   0.67251840  0.89765429  0.24164290
   0.78612008  0.61493999  0.47026742
   0.55853677  0.59050460  0.39454596
   0.59192706  0.57981731  0.58749603
   0.87331720  0.70667444  0.78266724
   0.60452044  0.81791682  0.47717610
   0.93408865  0.95083794  0.84696080
   0.94833994  0.90004505  0.66599977
   0.70714333  0.91529785  0.75751398
   0.79527161  0.64211336  0.96492102
   0.54856205  0.67163246  0.90841674
   0.72685684  0.89357578  0.58401366
   0.65529794  0.88871300  0.46421675
   0.86436209  0.18742571  0.11045123
   0.77688306  0.41377365  0.34894325
   0.33438615  0.06101606  0.69807539
   0.29864675  0.68265766  0.73918321
  -0.02107188  1.18198883  0.17543811
   0.19016962  1.00189706  0.01788025
   0.65812773  0.31543034  0.85241011
   0.90330061  0.35706680  0.59562691
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935533   -0.086023   -0.036046
    -0.000000    9.971066    0.282235
    -0.000000   -0.000000   13.814362
   Si   O    H 
    32    64    10
Direct configuration=   241
   0.16746925  0.16044345  0.00743598
   0.41302126  0.08007580  0.38401600
   0.14382596  0.40809293  0.13870088
   0.39409257  0.35068404  0.26281965
   0.15016105  0.14816167  0.49946040
   0.40850469  0.11373358  0.88084344
   0.13136745  0.39343903  0.61128693
   0.36341678  0.36295118  0.76672733
   0.15415628  0.67506337  0.01655560
   0.39274177  0.58798894  0.37153797
   0.08433435  0.91524139  0.14460845
   0.33404652  0.84348670  0.25491722
   0.13426022  0.66190025  0.49657411
   0.39952613  0.62225548  0.88584162
   0.10011948  0.90656271  0.62661141
   0.33963596  0.92622907  0.73302430
   0.65763066  0.13304019  1.00880406
   0.89222605  0.11840333  0.38183139
   0.64098576  0.40227817  0.12366372
   0.89575588  0.30562284  0.21376009
   0.65131974  0.17167113  0.51408908
   0.91872456  0.10612508  0.89229268
   0.60042449  0.42084589  0.61962167
   0.78308788  0.33822075  0.80304941
   0.64386247  0.66973678  0.00612610
   0.87606223  0.60294702  0.36939257
   0.58145145  0.90834706  0.14078670
   0.83103978  0.86513054  0.26470695
   0.63577870  0.65793397  0.48970059
   0.90414999  0.60566546  0.87901907
   0.62592132  0.94270999  0.65568295
   0.86266676  0.86730515  0.76252550
   0.09973954  0.08424893  0.12121304
   0.40342012  0.19034345  0.29337657
   0.14610183  0.31998240  0.03881833
   0.36507952  0.42596880  0.36287319
   0.53945637  0.36737405  0.21616853
   0.28852375  0.41453261  0.18909576
   0.29764269  0.09871597  0.46323057
   0.04923605  0.14778101  0.40533615
   0.10786677  0.05621643  0.58647895
   0.40366169  0.21460094  0.79966129
   0.18261053  0.30461844  0.52266546
   0.37419221  0.47130050  0.85723441
   0.45691932  0.40499652  0.66949069
   0.21850393  0.36303027  0.70912316
   0.32188649  0.18106750 -0.03126805
   0.06072922  0.17772097  0.91242190
   0.11935383  0.57129725  0.10961940
   0.36880693  0.68995061  0.27606900
   0.12239313  0.82319220  0.05506743
   0.39623609  0.93367397  0.33923268
   0.42881573  0.87873020  0.15554857
   0.17026272  0.86805235  0.23445977
   0.29183222  0.65789215  0.45257502
   0.03239694  0.62944993  0.40427023
   0.11790974  0.54370969  0.57597572
   0.37066257  0.69885481  0.78482525
   0.10623915  0.81049686  0.53733064
   0.36488775  0.95797746  0.85419932
   0.47284496  0.88401129  0.67761036
   0.20244407  0.84697583  0.70333599
   0.31864227  0.66032569 -0.00834331
   0.05985367  0.63540019  0.91934986
   0.61381513  0.06337911  0.10778685
   0.82944510  0.21607619  0.29211919
   0.63438442  0.29563861  0.03149955
   0.86521040  0.44759679  0.34233440
   0.04921429  0.38061626  0.22892989
   0.78784840  0.40501556  0.16197938
   0.81130480  0.14674156  0.48412814
   0.56430325  0.12284585  0.42574788
   0.62121562  0.10337924  0.61938659
   0.87429509  0.20243179  0.80827038
   0.63531845  0.33254293  0.52389311
   0.87088341  0.46136614  0.85151443
   0.97774395  0.32181555  0.62290464
   0.72007435  0.39509617  0.69651142
   0.81701669  0.09854305  0.98108650
   0.56092545  0.09434687  0.91830733
   0.59860088  0.54144038  0.07764778
   0.82811904  0.70493364  0.28744669
   0.64749119  0.80565643  0.06341721
   0.88360332  0.96260054  0.35482342
   0.92912351  0.87711293  0.17246191
   0.67296789  0.89970939  0.24297613
   0.78658467  0.61436790  0.46959415
   0.55758832  0.59091309  0.39508844
   0.59129800  0.58029809  0.58793631
   0.87278857  0.70698367  0.78257125
   0.60468634  0.81772371  0.47737728
   0.93213713  0.95257232  0.84801234
   0.94823722  0.90034162  0.66588503
   0.70787847  0.91468946  0.75564882
   0.79588628  0.64160828  0.96587427
   0.54740741  0.67135258  0.90943629
   0.71960782  0.88996183  0.59327400
   0.66383514  0.90318362  0.46062296
   0.85564145  0.18819317  0.10968869
   0.75998853  0.41046671  0.34726709
   0.33443662  0.06407636  0.69632050
   0.29924908  0.68694667  0.74173032
  -0.02045877  1.17583315  0.17294681
   0.18872394  1.00481532  0.01078273
   0.65602676  0.31067114  0.84818790
   0.89700594  0.36409853  0.59506898
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933668   -0.084370   -0.037069
    -0.000000    9.972754    0.283114
    -0.000000   -0.000000   13.813885
   Si   O    H 
    32    64    10
Direct configuration=   242
   0.16604540  0.15896414  0.00625790
   0.41268200  0.08129562  0.38518207
   0.14329934  0.41063151  0.13876490
   0.39445378  0.35090246  0.26277633
   0.14899538  0.14881439  0.49887459
   0.40946166  0.11371374  0.88044873
   0.13171343  0.39292624  0.61194051
   0.36254739  0.36268707  0.76676106
   0.15443495  0.67439592  0.01657016
   0.39226442  0.58796788  0.37227489
   0.08578396  0.91672954  0.14536873
   0.33469057  0.84326934  0.25456005
   0.13433516  0.66078539  0.49630649
   0.39910892  0.62098790  0.88608438
   0.09901387  0.90646672  0.62609056
   0.34005263  0.92470439  0.73300911
   0.65823982  0.13301545  1.00865592
   0.89286243  0.11798846  0.38271466
   0.64053893  0.40201500  0.12363512
   0.89710361  0.30529861  0.21345351
   0.65100332  0.17206280  0.51490553
   0.91823315  0.10433395  0.89322683
   0.60044112  0.42044969  0.61914585
   0.78404639  0.33900823  0.80383124
   0.64386837  0.66896568  0.00562834
   0.87575545  0.60322704  0.37043844
   0.58092656  0.90825740  0.14047871
   0.83142355  0.86576917  0.26377637
   0.63430916  0.65798593  0.49013958
   0.90467926  0.60771195  0.88012693
   0.62578409  0.94329747  0.65631528
   0.86306393  0.86586983  0.76239088
   0.09839422  0.08389490  0.12108834
   0.40422443  0.19240986  0.29328679
   0.14530589  0.32052260  0.04022241
   0.36626079  0.42552845  0.36301304
   0.54164050  0.36723524  0.21522776
   0.28851886  0.41526920  0.18774884
   0.29759196  0.09786306  0.46381127
   0.05011474  0.14918265  0.40583154
   0.10685381  0.05600162  0.58489953
   0.40624265  0.21422034  0.79917779
   0.18147732  0.30442317  0.52254399
   0.37305009  0.46788558  0.85918113
   0.45706285  0.40499739  0.66832799
   0.21882682  0.36137790  0.70943160
   0.32214061  0.18026592 -0.03128708
   0.05835462  0.17847565  0.91399198
   0.12052551  0.57304700  0.11030902
   0.37077771  0.69204778  0.27554178
   0.12173470  0.82398019  0.05480934
   0.39601332  0.93424871  0.34000152
   0.42896914  0.87853443  0.15436189
   0.17070576  0.86932453  0.23499574
   0.29117462  0.65831258  0.45334262
   0.03345855  0.62906718  0.40444871
   0.11779580  0.54523024  0.57580636
   0.37077269  0.69936062  0.78497874
   0.10812323  0.81206498  0.53700378
   0.36554484  0.95808337  0.85438309
   0.47383760  0.88392295  0.67727821
   0.20064474  0.84745757  0.70493093
   0.31643247  0.66140417 -0.00870597
   0.06018173  0.63615107  0.92117143
   0.61335105  0.06303281  0.10774698
   0.82923442  0.21513380  0.29218000
   0.63264737  0.29720515  0.03202772
   0.86481621  0.44666245  0.34312559
   0.04745426  0.38207109  0.22805412
   0.78886036  0.40595187  0.16173866
   0.81095122  0.14554694  0.48441764
   0.56366167  0.12274090  0.42630276
   0.62100183  0.10244705  0.62044415
   0.87391513  0.20230907  0.80674459
   0.63337030  0.33095570  0.52438776
   0.87113131  0.46107836  0.85183288
   0.97700238  0.32355315  0.62230879
   0.72154201  0.39731986  0.69723141
   0.81883768  0.09961193  0.98096235
   0.56124192  0.09524722  0.91778278
   0.59839643  0.54161682  0.07600755
   0.82785351  0.70425891  0.28802808
   0.64757941  0.80641562  0.06409591
   0.88355026  0.96219312  0.35499871
   0.92888836  0.87702345  0.17241160
   0.67315585  0.90165828  0.24412937
   0.78720490  0.61415798  0.46892145
   0.55616069  0.59097965  0.39623761
   0.59018158  0.58089009  0.58834538
   0.87284110  0.70655982  0.78281159
   0.60528565  0.81775090  0.47783686
   0.93025221  0.95475014  0.84894606
   0.94714251  0.90010597  0.66587396
   0.70911956  0.91442428  0.75455318
   0.79633702  0.64096235  0.96658329
   0.54582871  0.67165912  0.91019386
   0.72061986  0.88317679  0.59916535
   0.66732767  0.90337683  0.46045145
   0.85311819  0.19274978  0.10950174
   0.75609085  0.41549950  0.34873092
   0.32956613  0.06352707  0.69402438
   0.29020956  0.68826918  0.74143779
  -0.01997106  1.17014734  0.16951901
   0.19112983  1.00650629  0.00335303
   0.65226732  0.30812704  0.84683141
   0.89311735  0.37221805  0.59409606
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931516   -0.082167   -0.037885
    -0.000000    9.974033    0.283673
    -0.000000   -0.000000   13.813583
   Si   O    H 
    32    64    10
Direct configuration=   243
   0.16439402  0.15747605  0.00511629
   0.41159362  0.08219373  0.38588394
   0.14238980  0.41338136  0.13846034
   0.39470057  0.35087167  0.26236016
   0.14830462  0.14995537  0.49824098
   0.41065385  0.11327773  0.88059047
   0.13185151  0.39240024  0.61277814
   0.36208822  0.36271248  0.76676130
   0.15483562  0.67386783  0.01673248
   0.39142042  0.58823873  0.37297170
   0.08673748  0.91848263  0.14582681
   0.33539076  0.84347015  0.25421752
   0.13419227  0.65995894  0.49597411
   0.39856904  0.61994110  0.88657865
   0.09754786  0.90613029  0.62574365
   0.34062077  0.92319060  0.73289268
   0.65897898  0.13327357  1.00863858
   0.89326959  0.11774749  0.38342473
   0.63957048  0.40152840  0.12353758
   0.89919136  0.30531217  0.21319810
   0.65056651  0.17185281  0.51568638
   0.91791977  0.10245756  0.89402098
   0.60020583  0.42002121  0.61837223
   0.78409613  0.33979293  0.80446442
   0.64390240  0.66788469  0.00524424
   0.87543312  0.60303141  0.37172275
   0.58109254  0.90854513  0.14043166
   0.83175390  0.86624899  0.26320893
   0.63356559  0.65825675  0.49042882
   0.90473323  0.60951524  0.88131157
   0.62590005  0.94407059  0.65747759
   0.86376167  0.86439666  0.76232335
   0.09764412  0.08407323  0.12082611
   0.40454315  0.19318570  0.29328968
   0.14424288  0.32084063  0.04166376
   0.36721900  0.42598698  0.36309988
   0.54344951  0.36800511  0.21471099
   0.28867805  0.41561788  0.18633104
   0.29699120  0.09742964  0.46467742
   0.05093331  0.15057508  0.40618679
   0.10556313  0.05527778  0.58406812
   0.40875191  0.21521651  0.79802143
   0.18042026  0.30418465  0.52260081
   0.37199586  0.46371999  0.86094185
   0.45717456  0.40463390  0.66755746
   0.21912948  0.36019384  0.70996785
   0.32212313  0.17887849 -0.03180097
   0.05597679  0.17865114  0.91527397
   0.12157623  0.57533568  0.11015052
   0.37242458  0.69348535  0.27579959
   0.12143658  0.82445743  0.05475745
   0.39633998  0.93499021  0.34076411
   0.42976914  0.87773748  0.15294388
   0.17163062  0.87015768  0.23595045
   0.29005015  0.65903758  0.45383459
   0.03473665  0.62868843  0.40397320
   0.11710982  0.54656537  0.57597563
   0.37078015  0.70044438  0.78428794
   0.11023811  0.81291862  0.53656123
   0.36579289  0.95798593  0.85355937
   0.47604570  0.88295570  0.67712576
   0.19863177  0.84694364  0.70643544
   0.31408822  0.66219730 -0.00958572
   0.06016849  0.63637749  0.92305879
   0.61294582  0.06171993  0.10740693
   0.82852885  0.21341539  0.29289619
   0.63093154  0.29897022  0.03257732
   0.86425474  0.44540118  0.34341216
   0.04517337  0.38286975  0.22731162
   0.79067756  0.40665316  0.16158211
   0.80981957  0.14402899  0.48446244
   0.56293547  0.12175740  0.42724573
   0.62090374  0.10144208  0.62148027
   0.87352361  0.20287983  0.80447007
   0.63198793  0.32935843  0.52544690
   0.87107507  0.46025786  0.85193744
   0.97564976  0.32545617  0.62169900
   0.72351101  0.39917128  0.69836520
   0.82040055  0.10056368  0.98112834
   0.56223533  0.09718921  0.91823900
   0.59805903  0.54204974  0.07462787
   0.82661991  0.70344157  0.28855234
   0.64734661  0.80692763  0.06512365
   0.88315944  0.96198958  0.35483069
   0.92831101  0.87712311  0.17284746
   0.67232246  0.90456687  0.24569513
   0.78853596  0.61442378  0.46855018
   0.55499844  0.59122623  0.39713752
   0.58908973  0.58089403  0.58913207
   0.87338872  0.70606188  0.78329140
   0.60545796  0.81858542  0.47802355
   0.92770489  0.95683809  0.84927200
   0.94679729  0.89945664  0.66584426
   0.71045876  0.91371703  0.75426008
   0.79665295  0.64066698  0.96733084
   0.54514174  0.67216812  0.91137642
   0.72692993  0.87104077  0.60116223
   0.66062208  0.88819811  0.46131587
   0.85350464  0.19718295  0.11025536
   0.76696349  0.42432989  0.34892859
   0.32312532  0.06422647  0.69329229
   0.28459252  0.68983775  0.74543078
  -0.01897045  1.16812654  0.16561547
   0.19709417  1.00664706 -0.00166016
   0.65048379  0.30679069  0.84814079
   0.89874860  0.37784982  0.59539443
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929111   -0.079644   -0.039016
    -0.000000    9.975384    0.284536
    -0.000000   -0.000000   13.813715
   Si   O    H 
    32    64    10
Direct configuration=   244
   0.16316832  0.15613926  0.00422293
   0.41086663  0.08335712  0.38604734
   0.14215225  0.41591014  0.13800166
   0.39491795  0.35078754  0.26233376
   0.14757289  0.15154690  0.49702607
   0.41168027  0.11158918  0.88144053
   0.13180863  0.39186912  0.61364149
   0.36222562  0.36379287  0.76651551
   0.15523728  0.67330161  0.01703011
   0.39106000  0.58817867  0.37397632
   0.08726026  0.92010113  0.14626919
   0.33674611  0.84402283  0.25384161
   0.13387949  0.65975057  0.49536445
   0.39809601  0.61922143  0.88744112
   0.09638602  0.90577393  0.62525355
   0.34129744  0.92205019  0.73287502
   0.65986226  0.13410272  1.00839570
   0.89376195  0.11750560  0.38419872
   0.63835892  0.40123061  0.12314097
   0.90147192  0.30511775  0.21227664
   0.65003305  0.17180156  0.51644170
   0.91759850  0.10171053  0.89490240
   0.60019267  0.41963026  0.61781125
   0.78393333  0.34043143  0.80451382
   0.64400050  0.66655700  0.00513994
   0.87568875  0.60308517  0.37262607
   0.58205822  0.90903522  0.14051466
   0.83205054  0.86658415  0.26241509
   0.63289148  0.65899861  0.49105914
   0.90450797  0.61107468  0.88245305
   0.62635651  0.94452120  0.65840209
   0.86438791  0.86367371  0.76240724
   0.09801420  0.08440121  0.12005382
   0.40411445  0.19284522  0.29276138
   0.14291156  0.32126984  0.04259595
   0.36802735  0.42657960  0.36326310
   0.54430078  0.36915277  0.21413776
   0.28876972  0.41624939  0.18443568
   0.29733948  0.09674243  0.46517486
   0.05093367  0.15283416  0.40626359
   0.10407122  0.05342770  0.58332575
   0.41159659  0.21709600  0.79638176
   0.18000742  0.30443394  0.52337239
   0.37080016  0.45951576  0.86263520
   0.45721341  0.40395817  0.66669201
   0.21917527  0.35907349  0.70987051
   0.32194156  0.17811478 -0.03274505
   0.05455505  0.17819601  0.91672465
   0.12259103  0.57738576  0.11047731
   0.37409168  0.69365991  0.27660065
   0.12082727  0.82487974  0.05460037
   0.39636156  0.93569765  0.34184288
   0.42965278  0.87636085  0.15238369
   0.17362368  0.87074642  0.23672475
   0.28942376  0.66044292  0.45399581
   0.03577979  0.62880207  0.40363270
   0.11563041  0.54748345  0.57657744
   0.37039747  0.70150659  0.78351787
   0.11167180  0.81369472  0.53630160
   0.36546570  0.95739703  0.85311809
   0.47755612  0.88176269  0.67648188
   0.19747030  0.84680240  0.70834293
   0.31282352  0.66315829 -0.01099464
   0.06012209  0.63602234  0.92507727
   0.61326084  0.05987899  0.10665139
   0.82707739  0.21232131  0.29349435
   0.62938159  0.29989481  0.03317991
   0.86392571  0.44492967  0.34362220
   0.04184491  0.38319612  0.22666914
   0.79249322  0.40712981  0.16116993
   0.80810591  0.14173085  0.48443404
   0.56213953  0.11935632  0.42732911
   0.62047963  0.10027996  0.62279237
   0.87308419  0.20375193  0.80250216
   0.63041027  0.32848558  0.52599440
   0.87179820  0.45952638  0.85178599
   0.97398087  0.32720411  0.62096803
   0.72522682  0.39978907  0.70018363
   0.82122229  0.10106438  0.98113513
   0.56431517  0.09872867  0.91968152
   0.59800176  0.54218939  0.07310064
   0.82602078  0.70419650  0.28861629
   0.64648903  0.80745674  0.06599060
   0.88249992  0.96132441  0.35468698
   0.92949837  0.87703286  0.17261239
   0.67200450  0.90744971  0.24641947
   0.79016480  0.61451067  0.46838682
   0.55332091  0.59164642  0.39776808
   0.58783476  0.58053486  0.58989327
   0.87387099  0.70536741  0.78453754
   0.60547785  0.81895586  0.47817049
   0.92593294  0.95798826  0.84879266
   0.94644929  0.89973615  0.66642731
   0.71169250  0.91318627  0.75428584
   0.79694811  0.64043337  0.96856894
   0.54571128  0.67232377  0.91261297
   0.73295583  0.86010422  0.60201599
   0.66337700  0.88115410  0.46331443
   0.85764492  0.20110276  0.11092138
   0.77467484  0.43183234  0.34698689
   0.31553017  0.06365801  0.69012079
   0.28299571  0.68811936  0.75283876
  -0.01855653  1.16949777  0.16210328
   0.20297182  1.00668042 -0.00657786
   0.65103560  0.30647397  0.85124960
   0.90198245  0.38562812  0.59429918
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926869   -0.077128   -0.040353
    -0.000000    9.976332    0.285417
    -0.000000   -0.000000   13.813653
   Si   O    H 
    32    64    10
Direct configuration=   245
   0.16186598  0.15534622  0.00337353
   0.41032022  0.08420235  0.38600696
   0.14176801  0.41845824  0.13751299
   0.39471537  0.35060927  0.26234557
   0.14773200  0.15354903  0.49597754
   0.41280426  0.10988619  0.88275349
   0.13121484  0.39139701  0.61453918
   0.36324347  0.36452067  0.76586842
   0.15530269  0.67220500  0.01732225
   0.39053228  0.58870114  0.37484788
   0.08782069  0.92103272  0.14675947
   0.33795222  0.84495888  0.25335587
   0.13340298  0.66001093  0.49455043
   0.39699274  0.61823367  0.88842166
   0.09546435  0.90563781  0.62483416
   0.34194166  0.92110658  0.73295069
   0.66084842  0.13538754  1.00805242
   0.89397489  0.11741425  0.38502057
   0.63778919  0.40028041  0.12269299
   0.90325481  0.30411189  0.21101485
   0.65019982  0.17174489  0.51710245
   0.91769889  0.10093717  0.89546642
   0.59996893  0.41921640  0.61748193
   0.78378452  0.34089535  0.80449915
   0.64472988  0.66560411  0.00478072
   0.87618019  0.60299935  0.37369556
   0.58326049  0.90972992  0.14083178
   0.83207083  0.86671998  0.26155368
   0.63213875  0.65918452  0.49158986
   0.90425613  0.61234470  0.88373473
   0.62666568  0.94458840  0.65899717
   0.86471163  0.86233314  0.76235711
   0.09834527  0.08439695  0.11885743
   0.40332641  0.19229691  0.29262710
   0.14167113  0.32109880  0.04433070
   0.36892354  0.42738971  0.36393242
   0.54546833  0.37098321  0.21366243
   0.28832469  0.41629083  0.18316143
   0.29803189  0.09597850  0.46516277
   0.05046754  0.15463678  0.40595551
   0.10319342  0.05170890  0.58253713
   0.41419407  0.21885831  0.79435259
   0.17950309  0.30464763  0.52414236
   0.37039781  0.45541898  0.86420891
   0.45681453  0.40303915  0.66565728
   0.21975352  0.35909949  0.70987409
   0.32148664  0.17718020 -0.03387146
   0.05281472  0.17767813  0.91827694
   0.12373816  0.57895508  0.11052056
   0.37640621  0.69347568  0.27777777
   0.11969573  0.82546234  0.05459027
   0.39555045  0.93590202  0.34258051
   0.42856239  0.87561870  0.15225396
   0.17592099  0.87215782  0.23693368
   0.28964308  0.66201157  0.45392091
   0.03612461  0.62883840  0.40326932
   0.11391303  0.54810728  0.57690560
   0.37003608  0.70243810  0.78296060
   0.11338305  0.81327954  0.53537046
   0.36522095  0.95616025  0.85226767
   0.47766319  0.88079700  0.67528217
   0.19648340  0.84677869  0.71016785
   0.31078804  0.66391202 -0.01296384
   0.05971535  0.63558583  0.92642951
   0.61352025  0.05859742  0.10602749
   0.82569973  0.21139764  0.29449484
   0.62813045  0.29991610  0.03342635
   0.86463382  0.44499403  0.34383529
   0.03784942  0.38366347  0.22634751
   0.79406111  0.40705416  0.16093152
   0.80595952  0.13939992  0.48445174
   0.56054252  0.11673136  0.42752490
   0.62021002  0.09882512  0.62374718
   0.87244995  0.20473183  0.80124552
   0.62818713  0.32834814  0.52631565
   0.87236573  0.45908571  0.85194871
   0.97263101  0.33023328  0.62030562
   0.72701695  0.40010547  0.70177978
   0.82032573  0.10088569  0.98109576
   0.56615109  0.10004996  0.92090724
   0.59746131  0.54268125  0.07247091
   0.82567844  0.70518334  0.28882311
   0.64606680  0.80769268  0.06633866
   0.88174053  0.96041885  0.35415947
   0.93100321  0.87707856  0.17179027
   0.67035793  0.91011294  0.24699236
   0.79182949  0.61479592  0.46877038
   0.55187877  0.59215434  0.39836031
   0.58702859  0.58053136  0.59008793
   0.87424343  0.70404976  0.78641662
   0.60432548  0.81857007  0.47831102
   0.92467158  0.95930626  0.84829950
   0.94633159  0.90005409  0.66677478
   0.71211465  0.91374555  0.75500177
   0.79715712  0.64096874  0.96950669
   0.54657409  0.67179631  0.91412913
   0.73680844  0.85207475  0.60343814
   0.68144591  0.89430267  0.46120716
   0.86820744  0.20471992  0.11446181
   0.76102740  0.43294663  0.34445599
   0.31171120  0.06128725  0.68610053
   0.27670970  0.68577580  0.75937212
  -0.02177049  1.17285674  0.16161493
   0.20638857  1.00426974 -0.01166487
   0.65634824  0.30558820  0.85680250
   0.90482614  0.39027849  0.59374195
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924577   -0.074187   -0.041365
    -0.000000    9.977420    0.286163
    -0.000000   -0.000000   13.813426
   Si   O    H 
    32    64    10
Direct configuration=   246
   0.16092999  0.15459449  0.00286614
   0.41009873  0.08487032  0.38583535
   0.14144541  0.42153684  0.13711437
   0.39445141  0.35097658  0.26229025
   0.14841981  0.15497725  0.49482611
   0.41377670  0.10860371  0.88386011
   0.13068952  0.39093278  0.61518219
   0.36449090  0.36563844  0.76512883
   0.15531088  0.67091517  0.01776831
   0.39029455  0.58966869  0.37542563
   0.08789028  0.92201810  0.14693146
   0.33954205  0.84537368  0.25306524
   0.13295397  0.66078171  0.49348086
   0.39598998  0.61712646  0.88922895
   0.09520209  0.90505376  0.62454444
   0.34296706  0.92034687  0.73346317
   0.66177932  0.13698848  1.00792909
   0.89318984  0.11752417  0.38610740
   0.63717296  0.39875395  0.12270627
   0.90422497  0.30283033  0.21010970
   0.65155452  0.17079312  0.51764184
   0.91754210  0.10024072  0.89590428
   0.59943539  0.41942336  0.61788747
   0.78357677  0.34030274  0.80483188
   0.64583753  0.66459684  0.00458160
   0.87660715  0.60358507  0.37426969
   0.58490177  0.91072910  0.14134322
   0.83184308  0.86643136  0.26122587
   0.63201785  0.66011088  0.49150576
   0.90351023  0.61352776  0.88486064
   0.62748325  0.94425668  0.65941205
   0.86505734  0.86066977  0.76273047
   0.09903802  0.08418738  0.11748813
   0.40280142  0.19260855  0.29249571
   0.13996893  0.32064515  0.04607779
   0.36922484  0.42816956  0.36467752
   0.54633293  0.37267273  0.21301374
   0.28768076  0.41592047  0.18152134
   0.29851738  0.09578661  0.46554283
   0.05024338  0.15630453  0.40565243
   0.10270610  0.05008324  0.58210071
   0.41609616  0.22050507  0.79295351
   0.17915535  0.30433964  0.52496216
   0.36990079  0.45183635  0.86537882
   0.45578564  0.40201761  0.66529828
   0.21914794  0.35954452  0.71010110
   0.32099233  0.17651943 -0.03531974
   0.05123692  0.17674356  0.91978907
   0.12462560  0.58031201  0.11001916
   0.37908515  0.69187715  0.27882119
   0.11881018  0.82634696  0.05454149
   0.39520685  0.93568949  0.34317093
   0.42689668  0.87442779  0.15246483
   0.17816150  0.87305108  0.23734505
   0.28987628  0.66304649  0.45318760
   0.03647229  0.62869238  0.40338528
   0.11217033  0.54782420  0.57783854
   0.36912649  0.70232649  0.78282881
   0.11539152  0.81254223  0.53408499
   0.36545622  0.95521272  0.85117777
   0.47716811  0.87994574  0.67366672
   0.19602556  0.84759696  0.71154479
   0.30913433  0.66461039 -0.01558840
   0.05945662  0.63548628  0.92718610
   0.61476517  0.05783277  0.10541744
   0.82445236  0.21049596  0.29576456
   0.62715059  0.29837678  0.03310889
   0.86458069  0.44564358  0.34385477
   0.03438647  0.38444859  0.22611030
   0.79572147  0.40776204  0.16002167
   0.80423027  0.13729128  0.48431115
   0.55989700  0.11390435  0.42774696
   0.61962960  0.09773443  0.62455663
   0.87206055  0.20494502  0.79985432
   0.62612893  0.32780995  0.52640711
   0.87265209  0.45938429  0.85193321
   0.97167095  0.33294797  0.61985168
   0.72836134  0.40030182  0.70292011
   0.81910332  0.10114199  0.98178762
   0.56748002  0.10055747  0.92207901
   0.59585070  0.54253842  0.07186250
   0.82487275  0.70686264  0.28877828
   0.64545976  0.80784228  0.06637722
   0.88103801  0.95976184  0.35396938
   0.93200630  0.87635238  0.17166506
   0.66891742  0.91178518  0.24748965
   0.79244020  0.61471316  0.47008492
   0.55017360  0.59316116  0.39863712
   0.58658194  0.58080181  0.59074099
   0.87538785  0.70282142  0.78772936
   0.60451568  0.81828700  0.47834542
   0.92306646  0.95918280  0.84820582
   0.94547481  0.89970350  0.66643180
   0.71310998  0.91539597  0.75531681
   0.79685474  0.64176900  0.97024318
   0.54698333  0.67053113  0.91518485
   0.73475131  0.85211753  0.60758660
   0.68730029  0.89456113  0.46170321
   0.87525480  0.20893593  0.11714010
   0.75569425  0.43613837  0.34234824
   0.30769723  0.05383011  0.68327759
   0.26717538  0.68324136  0.76541543
  -0.02687806  1.17403420  0.16479023
   0.20730198  1.00538544 -0.01570165
   0.66365497  0.30550439  0.86394355
   0.90147403  0.39794242  0.58981121
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922615   -0.071296   -0.042159
    -0.000000    9.978212    0.287327
    -0.000000   -0.000000   13.812998
   Si   O    H 
    32    64    10
Direct configuration=   247
   0.16002625  0.15406692  0.00287072
   0.41046588  0.08557774  0.38583805
   0.14138396  0.42403212  0.13632910
   0.39446294  0.35127346  0.26247754
   0.14899122  0.15638602  0.49417065
   0.41448275  0.10722815  0.88473867
   0.12992160  0.39075008  0.61569628
   0.36620951  0.36687562  0.76385582
   0.15510066  0.66993005  0.01795186
   0.39047428  0.59108644  0.37604215
   0.08738696  0.92297009  0.14725525
   0.34088693  0.84586889  0.25334306
   0.13326994  0.66153103  0.49217526
   0.39438954  0.61578048  0.89016682
   0.09551863  0.90434915  0.62489382
   0.34418252  0.91967420  0.73413727
   0.66278680  0.13906174  1.00832047
   0.89212325  0.11786786  0.38714607
   0.63703420  0.39827668  0.12228095
   0.90464549  0.30188367  0.20932888
   0.65337934  0.16961175  0.51828503
   0.91779557  0.09991825  0.89585291
   0.59897198  0.41911570  0.61855715
   0.78325438  0.34006681  0.80495989
   0.64678517  0.66417265  0.00420204
   0.87676719  0.60364150  0.37462357
   0.58618244  0.91201354  0.14254703
   0.83123815  0.86615335  0.26059700
   0.63205988  0.66086461  0.49092429
   0.90278350  0.61407036  0.88580401
   0.62813395  0.94332221  0.65996451
   0.86563457  0.85913538  0.76309361
   0.09962481  0.08341103  0.11619873
   0.40167763  0.19246483  0.29224907
   0.13798102  0.31954260  0.04799556
   0.36965719  0.42934654  0.36479227
   0.54707777  0.37437281  0.21339480
   0.28702488  0.41506225  0.18049224
   0.29844072  0.09579654  0.46613717
   0.04952767  0.15743603  0.40523087
   0.10236034  0.04903866  0.58178899
   0.41846425  0.22160657  0.79157889
   0.17960727  0.30469961  0.52529035
   0.36914929  0.44935466  0.86615564
   0.45454748  0.40006079  0.66492077
   0.21860898  0.35992103  0.70974741
   0.32002968  0.17573246 -0.03572778
   0.05088515  0.17548188  0.92101392
   0.12556532  0.58114372  0.11016869
   0.38193028  0.69072344  0.28054785
   0.11811511  0.82706998  0.05505531
   0.39409787  0.93600711  0.34341773
   0.42490580  0.87251332  0.15270618
   0.17984213  0.87425972  0.23807465
   0.29048131  0.66269310  0.45256781
   0.03623855  0.62876136  0.40349605
   0.11101209  0.54671056  0.57904776
   0.36837416  0.70149601  0.78303452
   0.11801911  0.81235319  0.53231834
   0.36618330  0.95508036  0.85059633
   0.47655580  0.87864604  0.67204724
   0.19576851  0.84801655  0.71284866
   0.30768135  0.66470768 -0.01870048
   0.05917258  0.63535921  0.92790504
   0.61565537  0.05823135  0.10480956
   0.82237288  0.20886450  0.29726722
   0.62670188  0.29607310  0.03282708
   0.86326984  0.44510960  0.34394294
   0.03255491  0.38574787  0.22611747
   0.79652311  0.40858422  0.15932134
   0.80235461  0.13573422  0.48431474
   0.55925877  0.11111237  0.42808559
   0.61940608  0.09720939  0.62545990
   0.87080489  0.20468780  0.79911762
   0.62389300  0.32746721  0.52596602
   0.87348276  0.45990088  0.85159987
   0.97015072  0.33490238  0.61953677
   0.72898091  0.40059934  0.70330283
   0.81731393  0.10150015  0.98289909
   0.56907840  0.10087013  0.92325413
   0.59323615  0.54250272  0.07176323
   0.82390216  0.70870498  0.28891032
   0.64483928  0.80661789  0.06627587
   0.88092845  0.96078966  0.35357961
   0.93276805  0.87678244  0.17160371
   0.66795822  0.91182134  0.24765531
   0.79273029  0.61499844  0.47196810
   0.54889700  0.59376893  0.39913991
   0.58587032  0.58191917  0.59145019
   0.87605226  0.70137080  0.78876214
   0.60428879  0.81900402  0.47786218
   0.92188826  0.95873411  0.84778247
   0.94485477  0.89880266  0.66602938
   0.71358678  0.91633351  0.75616062
   0.79623849  0.64324846  0.97078661
   0.54743158  0.66926763  0.91523004
   0.72754394  0.85665275  0.61432166
   0.67870255  0.88339446  0.46470061
   0.88059901  0.21720780  0.11791860
   0.76381240  0.43878775  0.34049350
   0.30785595  0.05054609  0.68347494
   0.26639737  0.68206128  0.77256054
  -0.02920279  1.17245993  0.16766170
   0.20323806  1.00340959 -0.01659157
   0.67091398  0.30684879  0.87185842
   0.90390738  0.40202448  0.58899065
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920771   -0.068741   -0.042178
    -0.000000    9.978950    0.288295
    -0.000000   -0.000000   13.812707
   Si   O    H 
    32    64    10
Direct configuration=   248
   0.16028358  0.15373728  0.00293750
   0.41120113  0.08540822  0.38583698
   0.14113613  0.42606933  0.13585891
   0.39410782  0.35221238  0.26271953
   0.14955958  0.15695824  0.49389673
   0.41475091  0.10549268  0.88521842
   0.12885748  0.39065360  0.61579704
   0.36749391  0.36853642  0.76258081
   0.15475338  0.66963737  0.01835777
   0.39079184  0.59258232  0.37682103
   0.08668293  0.92400079  0.14766018
   0.34289282  0.84580137  0.25352751
   0.13404568  0.66229932  0.49165156
   0.39308944  0.61484754  0.89084178
   0.09498404  0.90399144  0.62566364
   0.34564322  0.91913328  0.73467174
   0.66381239  0.14108403  1.00872743
   0.89136315  0.11761827  0.38797380
   0.63784714  0.39868361  0.12196110
   0.90434194  0.30102071  0.20907635
   0.65477241  0.16840732  0.51867199
   0.91780290  0.09964524  0.89522081
   0.59903007  0.41904143  0.61909571
   0.78329417  0.34015400  0.80541455
   0.64805365  0.66393552  0.00406643
   0.87735638  0.60317385  0.37467344
   0.58759687  0.91278184  0.14363385
   0.83031730  0.86617373  0.26061515
   0.63233496  0.66083602  0.49013876
   0.90294658  0.61426419  0.88709473
   0.62877404  0.94236416  0.66055232
   0.86605432  0.85808978  0.76301397
   0.10066558  0.08299445  0.11479521
   0.40028028  0.19110654  0.29202140
   0.13573547  0.31784240  0.05007403
   0.37040197  0.43000962  0.36486222
   0.54722441  0.37450686  0.21426267
   0.28726457  0.41416585  0.18020122
   0.29788153  0.09543506  0.46715746
   0.04895012  0.15866153  0.40483427
   0.10125349  0.04929125  0.58052382
   0.42121406  0.22173854  0.79069371
   0.18101202  0.30570285  0.52527344
   0.36876234  0.44779051  0.86650979
   0.45322223  0.39818730  0.66509530
   0.21864393  0.36012059  0.70922335
   0.31817082  0.17527299 -0.03584207
   0.05048497  0.17472916  0.92239919
   0.12591600  0.58146317  0.11021919
   0.38413459  0.68979872  0.28247482
   0.11763064  0.82749945  0.05520678
   0.39255495  0.93608868  0.34326031
   0.42383299  0.87069038  0.15281200
   0.18113533  0.87540991  0.23853557
   0.29126815  0.66163652  0.45267418
   0.03669834  0.62846906  0.40344471
   0.11008652  0.54594830  0.58027378
   0.36636090  0.70026933  0.78336887
   0.11977175  0.81187556  0.53009816
   0.36662446  0.95518832  0.85007452
   0.47579875  0.87814239  0.67076989
   0.19556680  0.84814300  0.71426586
   0.30684584  0.66460043 -0.02131923
   0.05843008  0.63575362  0.92864501
   0.61590203  0.05877944  0.10437703
   0.82041227  0.20746471  0.29878996
   0.62641095  0.29365874  0.03308484
   0.86211588  0.44509689  0.34383403
   0.03223313  0.38738099  0.22532677
   0.79726931  0.40851384  0.15831772
   0.80091977  0.13546047  0.48423886
   0.55778380  0.10876516  0.42825650
   0.61921851  0.09689153  0.62582349
   0.86942367  0.20437300  0.79891027
   0.62189890  0.32792579  0.52546077
   0.87522066  0.46025472  0.85162618
   0.96866177  0.33699788  0.61962505
   0.72933512  0.40109854  0.70272249
   0.81477120  0.10193143  0.98454880
   0.56976491  0.10083684  0.92374753
   0.59092118  0.54195617  0.07162355
   0.82292216  0.70955013  0.28950208
   0.64413931  0.80497952  0.06620567
   0.88092221  0.96141398  0.35329730
   0.93345845  0.87789039  0.17107092
   0.66781543  0.91199527  0.24758735
   0.79314913  0.61486056  0.47411663
   0.54804034  0.59529991  0.40053507
   0.58500828  0.58376661  0.59173917
   0.87623340  0.70044600  0.78967248
   0.60366341  0.81967617  0.47783134
   0.92076704  0.95874051  0.84818869
   0.94410068  0.89789358  0.66566390
   0.71342919  0.91806117  0.75722463
   0.79610481  0.64404452  0.97160810
   0.54821738  0.66919357  0.91497099
   0.71845009  0.86095630  0.61719243
   0.67113392  0.87164596  0.46769584
   0.88569276  0.22434234  0.11466371
   0.76984002  0.43914154  0.33867046
   0.31189323  0.04551102  0.68520707
   0.27622924  0.68048589  0.77954835
  -0.02473540  1.16774878  0.16978038
   0.19684180  1.00398738 -0.01526299
   0.67845992  0.30652878  0.87844887
   0.91138867  0.40200434  0.58756433
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919355   -0.066192   -0.042225
    -0.000000    9.979905    0.289789
    -0.000000   -0.000000   13.812473
   Si   O    H 
    32    64    10
Direct configuration=   249
   0.16119221  0.15319974  0.00342886
   0.41224168  0.08590369  0.38583161
   0.14078520  0.42814708  0.13551304
   0.39373091  0.35302986  0.26282452
   0.14985071  0.15695659  0.49411351
   0.41515256  0.10437341  0.88557429
   0.12772457  0.39062178  0.61581735
   0.36792811  0.36954149  0.76154063
   0.15389670  0.67032843  0.01835068
   0.39087512  0.59419070  0.37713951
   0.08655607  0.92497852  0.14774520
   0.34456999  0.84534148  0.25418656
   0.13498002  0.66303374  0.49147174
   0.39233655  0.61390457  0.89117507
   0.09478639  0.90391304  0.62643068
   0.34743580  0.91890893  0.73565890
   0.66394474  0.14314119  1.00923124
   0.89082881  0.11697925  0.38818959
   0.63906857  0.39873190  0.12184596
   0.90355563  0.30016153  0.20920743
   0.65591301  0.16644143  0.51877509
   0.91701174  0.10004933  0.89390293
   0.59998121  0.41967673  0.61975119
   0.78345379  0.34090075  0.80632627
   0.64891278  0.66430820  0.00393966
   0.87815944  0.60271475  0.37445469
   0.58827669  0.91333936  0.14432401
   0.82958024  0.86688814  0.26048619
   0.63301801  0.66076839  0.48930349
   0.90244896  0.61402461  0.88843507
   0.62953839  0.94134757  0.66095795
   0.86581264  0.85750510  0.76272577
   0.10125561  0.08229786  0.11392912
   0.39924830  0.18988477  0.29149439
   0.13350069  0.31635946  0.05167221
   0.37106279  0.43046602  0.36485141
   0.54749059  0.37476247  0.21519445
   0.28811593  0.41265368  0.18024635
   0.29767733  0.09525773  0.46846016
   0.04820082  0.16037409  0.40406804
   0.10028452  0.05018460  0.57888451
   0.42386604  0.22088613  0.79016560
   0.18213959  0.30650525  0.52508511
   0.36844694  0.44716279  0.86684702
   0.45117881  0.39717159  0.66557351
   0.21838374  0.36057152  0.70884566
   0.31630069  0.17479122 -0.03627960
   0.04982282  0.17447119  0.92401025
   0.12534687  0.58092628  0.11110379
   0.38500976  0.68917752  0.28463621
   0.11750511  0.82653047  0.05510368
   0.39051891  0.93568637  0.34300398
   0.42288451  0.86923208  0.15309141
   0.18175201  0.87680811  0.23895292
   0.29222454  0.66107825  0.45321542
   0.03694113  0.62770738  0.40316120
   0.10963016  0.54583675  0.58125179
   0.36459955  0.69984003  0.78447527
   0.12100743  0.81134757  0.52807232
   0.36772996  0.95613285  0.84976622
   0.47573799  0.87778861  0.66952431
   0.19535410  0.84793308  0.71543107
   0.30605657  0.66511765 -0.02359107
   0.05737742  0.63599179  0.92924291
   0.61631636  0.06019779  0.10444568
   0.81864507  0.20605156  0.29966337
   0.62604596  0.29144439  0.03384167
   0.86216797  0.44559968  0.34392954
   0.03316288  0.38975707  0.22398253
   0.79816424  0.40783870  0.15725714
   0.79965569  0.13423805  0.48411758
   0.55607519  0.10614129  0.42889013
   0.61922975  0.09755984  0.62569461
   0.86750662  0.20380153  0.79850019
   0.62090786  0.32852073  0.52550000
   0.87740422  0.46113594  0.85176403
   0.96804956  0.33903826  0.62015943
   0.72909278  0.40256132  0.70176433
   0.81255213  0.10256580  0.98604534
   0.57008139  0.10108454  0.92395830
   0.58879057  0.54145521  0.07194589
   0.82257390  0.71001210  0.28988213
   0.64337550  0.80308079  0.06561516
   0.88148853  0.96214405  0.35306191
   0.93437901  0.87873422  0.17022223
   0.66898500  0.91261471  0.24721662
   0.79336163  0.61462965  0.47692285
   0.54744604  0.59708533  0.40194121
   0.58452482  0.58569023  0.59196424
   0.87608000  0.69972599  0.79057117
   0.60127396  0.81900305  0.47822108
   0.91968169  0.95829127  0.84829644
   0.94366944  0.89642974  0.66522767
   0.71340022  0.91991755  0.75919243
   0.79663047  0.64444615  0.97198220
   0.54834331  0.67003884  0.91470144
   0.71368333  0.86271907  0.61513139
   0.68915759  0.88602815  0.46671202
   0.89752827  0.22516867  0.11073121
   0.76194509  0.43486525  0.33498909
   0.31462283  0.04540342  0.68394444
   0.27354237  0.67756511  0.78311377
  -0.01538447  1.16011194  0.16393252
   0.18737242  1.00630389 -0.01322719
   0.68988691  0.30524814  0.88245242
   0.91718465  0.40347256  0.58448181
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917909   -0.063585   -0.041765
    -0.000000    9.980934    0.290928
    -0.000000   -0.000000   13.811899
   Si   O    H 
    32    64    10
Direct configuration=   250
   0.16187882  0.15250013  0.00453847
   0.41230570  0.08608383  0.38593092
   0.14069230  0.42918869  0.13543675
   0.39313589  0.35339126  0.26313985
   0.15048065  0.15605697  0.49398740
   0.41520816  0.10356273  0.88555267
   0.12648914  0.39017777  0.61566175
   0.36798855  0.36995965  0.76021804
   0.15232535  0.67190047  0.01827799
   0.39087548  0.59535352  0.37771964
   0.08688181  0.92492669  0.14760249
   0.34618136  0.84490020  0.25520214
   0.13653608  0.66362851  0.49164151
   0.39180449  0.61240259  0.89126705
   0.09497167  0.90313809  0.62714291
   0.34937458  0.91882279  0.73610459
   0.66375464  0.14503335  1.01005625
   0.89078552  0.11663329  0.38820683
   0.63992844  0.39932279  0.12155115
   0.90247766  0.29892605  0.20955801
   0.65594384  0.16432266  0.51861186
   0.91598017  0.10131710  0.89216729
   0.60120126  0.42061410  0.62068500
   0.78386199  0.34211469  0.80730521
   0.65035851  0.66417077  0.00360988
   0.87881371  0.60264604  0.37434945
   0.58919331  0.91343552  0.14482423
   0.82868519  0.86826229  0.26040978
   0.63378677  0.65986178  0.48866163
   0.90099352  0.61340249  0.88992046
   0.62977206  0.94098599  0.66176896
   0.86599812  0.85680542  0.76300708
   0.10237966  0.08127529  0.11320068
   0.39742441  0.18897823  0.29058402
   0.13175515  0.31502124  0.05339089
   0.37121462  0.43135657  0.36470567
   0.54742752  0.37561303  0.21563014
   0.29012350  0.41098272  0.18119082
   0.29745133  0.09529869  0.46958493
   0.04649001  0.16175882  0.40342751
   0.09987887  0.05191485  0.57684289
   0.42601884  0.21984547  0.78940958
   0.18309421  0.30683280  0.52590217
   0.36810851  0.44736324  0.86651690
   0.45045943  0.39607383  0.66645764
   0.21785770  0.36089962  0.70932886
   0.31433745  0.17395398 -0.03624805
   0.04988460  0.17445986  0.92514726
   0.12529754  0.58047087  0.11197222
   0.38477770  0.68894317  0.28572364
   0.11695134  0.82641201  0.05446127
   0.38888878  0.93545184  0.34207098
   0.42193006  0.86800730  0.15355963
   0.18270854  0.87844837  0.23934116
   0.29370033  0.66070752  0.45406017
   0.03679627  0.62695807  0.40259248
   0.10954118  0.54656813  0.58243065
   0.36443811  0.69875951  0.78581046
   0.12194228  0.81067620  0.52681262
   0.36874354  0.95759510  0.84971354
   0.47666717  0.87780130  0.66827147
   0.19527627  0.84749514  0.71627032
   0.30554995  0.66481357 -0.02598089
   0.05623568  0.63569592  0.92982982
   0.61622010  0.06133980  0.10419911
   0.81754257  0.20476481  0.30006341
   0.62585887  0.29169824  0.03472222
   0.86280639  0.44547840  0.34354980
   0.03459863  0.39211230  0.22274507
   0.79881959  0.40717387  0.15577778
   0.79946007  0.13275163  0.48361954
   0.55503307  0.10361788  0.43033023
   0.61875179  0.09894177  0.62528603
   0.86533501  0.20292146  0.79800252
   0.62012834  0.32932491  0.52536080
   0.87984486  0.46128255  0.85208762
   0.96760903  0.33991595  0.62146324
   0.72807094  0.40355122  0.70111515
   0.81114456  0.10339241  0.98730646
   0.56918364  0.10080269  0.92337944
   0.58821643  0.54090622  0.07252944
   0.82199762  0.71001811  0.29029722
   0.64270439  0.80125748  0.06462905
   0.88212858  0.96221465  0.35273289
   0.93394311  0.87980701  0.16947236
   0.66933016  0.91288423  0.24757774
   0.79374908  0.61506810  0.47970108
   0.54676706  0.59887626  0.40312363
   0.58455868  0.58658271  0.59173623
   0.87620402  0.69992518  0.79130739
   0.60023633  0.81930719  0.47847706
   0.91966622  0.95719700  0.84868981
   0.94327325  0.89496557  0.66474527
   0.71360144  0.92194639  0.76118158
   0.79802613  0.64515909  0.97285054
   0.54821005  0.67098236  0.91416147
   0.71955311  0.85788333  0.60316662
   0.69229490  0.88751215  0.46762825
   0.90662050  0.22760370  0.11044722
   0.75450425  0.42957178  0.33200861
   0.31787260  0.04852329  0.68241094
   0.25448027  0.67333548  0.78395058
  -0.00394942  1.15428373  0.15944958
   0.17808032  1.00293559 -0.01152008
   0.69419964  0.30505995  0.88670355
   0.91648535  0.41136766  0.57927641
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916608   -0.061360   -0.041141
    -0.000000    9.982099    0.291868
    -0.000000   -0.000000   13.811371
   Si   O    H 
    32    64    10
Direct configuration=   251
   0.16256112  0.15216188  0.00568381
   0.41232209  0.08567837  0.38619467
   0.14014477  0.42935069  0.13565740
   0.39302016  0.35424059  0.26383779
   0.15166761  0.15544997  0.49411389
   0.41557817  0.10320333  0.88545334
   0.12540629  0.39026620  0.61565482
   0.36862990  0.36963821  0.75933167
   0.15080294  0.67390986  0.01790470
   0.39031424  0.59634506  0.37818354
   0.08734479  0.92510317  0.14722976
   0.34758642  0.84444198  0.25623477
   0.13841380  0.66306637  0.49207870
   0.39224655  0.61101427  0.89090922
   0.09516664  0.90220299  0.62732872
   0.35025525  0.91850303  0.73656447
   0.66377237  0.14623604  1.01110194
   0.89080668  0.11662875  0.38767923
   0.64030297  0.40009985  0.12131250
   0.90084483  0.29777478  0.21015254
   0.65513321  0.16271515  0.51814356
   0.91419337  0.10234048  0.89067027
   0.60206768  0.42148366  0.62159525
   0.78442515  0.34338602  0.80836703
   0.65144082  0.66441891  0.00330485
   0.87964385  0.60227844  0.37416457
   0.58918777  0.91255149  0.14525419
   0.82818491  0.86987904  0.26053840
   0.63458687  0.65922940  0.48815795
   0.90001727  0.61192510  0.89095783
   0.62999340  0.94034160  0.66226078
   0.86632591  0.85655412  0.76353339
   0.10309265  0.07961615  0.11248405
   0.39573089  0.18905570  0.28925101
   0.12992959  0.31425947  0.05481291
   0.37074469  0.43204852  0.36458763
   0.54716710  0.37628097  0.21611848
   0.29188416  0.40933081  0.18183305
   0.29673459  0.09662878  0.47051263
   0.04488298  0.16226058  0.40217469
   0.09928321  0.05285216  0.57521251
   0.42751413  0.21894183  0.78890250
   0.18451810  0.30759106  0.52648990
   0.36767684  0.44804979  0.86606154
   0.45021558  0.39621251  0.66623384
   0.21712498  0.36183797  0.70973334
   0.31270310  0.17351178 -0.03621256
   0.04994338  0.17392975  0.92554111
   0.12530945  0.58047594  0.11291307
   0.38458039  0.68949310  0.28666010
   0.11685931  0.82587404  0.05415825
   0.38808468  0.93486636  0.34137804
   0.42118873  0.86653047  0.15394004
   0.18403162  0.87959716  0.23939340
   0.29338106  0.65986161  0.45495621
   0.03652192  0.62630135  0.40198227
   0.10938949  0.54742019  0.58302295
   0.36356283  0.69758881  0.78740141
   0.12195328  0.81055582  0.52645394
   0.37046562  0.95955688  0.84947338
   0.47852050  0.87769100  0.66718651
   0.19542211  0.84773661  0.71677296
   0.30431754  0.66470522 -0.02798896
   0.05456793  0.63430046  0.92966836
   0.61643344  0.06190936  0.10426430
   0.81660627  0.20439802  0.30036662
   0.62535740  0.29225410  0.03568533
   0.86284120  0.44494161  0.34319213
   0.03613292  0.39393555  0.22174237
   0.79936488  0.40688499  0.15426496
   0.79964430  0.13156233  0.48273508
   0.55581981  0.10185696  0.43221814
   0.61843847  0.10090898  0.62505416
   0.86398129  0.20139863  0.79774321
   0.61928841  0.33019163  0.52535971
   0.88237210  0.46103464  0.85251399
   0.96701713  0.34094146  0.62220136
   0.72718530  0.40437341  0.70057730
   0.81034618  0.10381415  0.98817425
   0.56816712  0.10070003  0.92187495
   0.58854251  0.54042506  0.07306167
   0.82174454  0.70994128  0.29109785
   0.64311402  0.80066181  0.06360829
   0.88220611  0.96169435  0.35266578
   0.93341737  0.88096144  0.16875064
   0.67027667  0.91202442  0.24866348
   0.79472255  0.61540476  0.48266130
   0.54641076  0.60015447  0.40418810
   0.58430857  0.58695449  0.59126400
   0.87681215  0.70033725  0.79200072
   0.60017649  0.82031621  0.47889531
   0.92016791  0.95575644  0.84921527
   0.94321111  0.89418949  0.66436209
   0.71345369  0.92314228  0.76289766
   0.79928502  0.64526622  0.97314435
   0.54717668  0.67239706  0.91362852
   0.72726146  0.85703462  0.58994617
   0.67987530  0.87529035  0.47040749
   0.91124777  0.22701667  0.11464651
   0.76241496  0.42684858  0.32942078
   0.31976384  0.05509124  0.68126477
   0.25101739  0.67668083  0.78088338
   0.00301967  1.15204919  0.15742974
   0.17286433  0.99886611 -0.01121006
   0.69334586  0.30468985  0.88960856
   0.91937178  0.41273500  0.57816359
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915453   -0.058474   -0.040489
    -0.000000    9.983360    0.292439
    -0.000000   -0.000000   13.810738
   Si   O    H 
    32    64    10
Direct configuration=   252
   0.16327752  0.15192077  0.00684245
   0.41114402  0.08532129  0.38644627
   0.14016346  0.42883708  0.13591327
   0.39319519  0.35492456  0.26423871
   0.15243091  0.15554256  0.49452109
   0.41591377  0.10354727  0.88516146
   0.12450267  0.39011438  0.61540745
   0.36860891  0.36837926  0.75900667
   0.14983365  0.67585860  0.01753701
   0.38975584  0.59692878  0.37904965
   0.08796022  0.92501523  0.14665963
   0.34912973  0.84363196  0.25738978
   0.13971194  0.66254973  0.49264172
   0.39378175  0.60948444  0.89015644
   0.09625289  0.90163382  0.62699943
   0.35142326  0.91799323  0.73622221
   0.66343384  0.14707160  1.01183771
   0.89090917  0.11638088  0.38699813
   0.64094709  0.40113615  0.12128313
   0.89930822  0.29661769  0.21076931
   0.65403308  0.16180436  0.51828046
   0.91216570  0.10340009  0.88915228
   0.60248574  0.42234257  0.62239349
   0.78440803  0.34425447  0.80931397
   0.65206530  0.66436817  0.00302347
   0.88072664  0.60210475  0.37390351
   0.58885816  0.91130005  0.14550991
   0.82848678  0.87104334  0.26030169
   0.63572893  0.65844285  0.48770462
   0.89906746  0.61045800  0.89181823
   0.63004937  0.93957431  0.66247377
   0.86693873  0.85664574  0.76429362
   0.10276759  0.07780017  0.11199771
   0.39429175  0.18901085  0.28837221
   0.12878651  0.31358869  0.05568465
   0.37047376  0.43300870  0.36406044
   0.54673985  0.37633503  0.21629883
   0.29435125  0.40848666  0.18174906
   0.29628320  0.09735550  0.47118417
   0.04295431  0.16190699  0.40125673
   0.09854559  0.05363100  0.57415768
   0.42825812  0.21763269  0.78832109
   0.18588236  0.30857758  0.52703491
   0.36660670  0.44900372  0.86577843
   0.44993196  0.39681592  0.66522142
   0.21654913  0.36290726  0.70945613
   0.31119598  0.17326937 -0.03634958
   0.04902366  0.17359529  0.92610752
   0.12454010  0.58156978  0.11364960
   0.38395012  0.69052480  0.28708297
   0.11593082  0.82510369  0.05412847
   0.38812832  0.93424449  0.34138356
   0.42219961  0.86570244  0.15384151
   0.18546583  0.88064126  0.23921590
   0.29360556  0.65888795  0.45563784
   0.03618815  0.62585431  0.40152759
   0.10977360  0.54782873  0.58315732
   0.36210046  0.69569311  0.78904106
   0.12168730  0.81049334  0.52703005
   0.37132003  0.96118438  0.84920724
   0.47994868  0.87781840  0.66617766
   0.19617183  0.84859963  0.71718928
   0.30265124  0.66428889 -0.02889972
   0.05251368  0.63286875  0.92929172
   0.61631895  0.06165189  0.10455460
   0.81591409  0.20361803  0.30016066
   0.62493497  0.29330838  0.03642842
   0.86168427  0.44473012  0.34302667
   0.03731262  0.39594045  0.22086101
   0.79892006  0.40628357  0.15290864
   0.80054700  0.13009824  0.48240236
   0.55686409  0.10024358  0.43373388
   0.61781327  0.10319720  0.62456086
   0.86272864  0.20048194  0.79752569
   0.61862505  0.33063110  0.52536887
   0.88399437  0.46092318  0.85223949
   0.96664347  0.34289132  0.62264340
   0.72668636  0.40602764  0.70054444
   0.81096291  0.10414548  0.98813565
   0.56852146  0.10042930  0.92068411
   0.58959195  0.53997005  0.07312754
   0.82137439  0.71056316  0.29218788
   0.64357910  0.80109699  0.06281839
   0.88191955  0.96037086  0.35273889
   0.93358591  0.88227736  0.16799729
   0.67057579  0.91174224  0.24929862
   0.79589034  0.61643378  0.48461154
   0.54737238  0.60126547  0.40539968
   0.58425949  0.58752264  0.59090365
   0.87829889  0.70100310  0.79229048
   0.59934010  0.82002734  0.47950810
   0.92068633  0.95420044  0.84939489
   0.94323546  0.89303789  0.66426272
   0.71333255  0.92411459  0.76483100
   0.80018514  0.64524745  0.97342780
   0.54596936  0.67260082  0.91360116
   0.72856039  0.86116697  0.58559849
   0.66701204  0.86578926  0.47116977
   0.91454521  0.22389434  0.12266671
   0.77648329  0.42343340  0.32748135
   0.32175136  0.05616342  0.68129728
   0.26248930  0.68615802  0.77641896
   0.00689332  1.15292120  0.15701651
   0.16953127  0.99113858 -0.01058891
   0.69039149  0.30738694  0.88928625
   0.91978382  0.40712076  0.57864960
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914026   -0.055574   -0.039641
    -0.000000    9.984737    0.292365
    -0.000000   -0.000000   13.810436
   Si   O    H 
    32    64    10
Direct configuration=   253
   0.16381561  0.15217352  0.00836685
   0.40958205  0.08577830  0.38613869
   0.14026129  0.42786446  0.13633281
   0.39332374  0.35525586  0.26450184
   0.15281763  0.15582980  0.49468347
   0.41627609  0.10421872  0.88529250
   0.12394250  0.38998293  0.61503245
   0.36802213  0.36718312  0.75836256
   0.14981991  0.67787068  0.01712233
   0.38944769  0.59693457  0.37961334
   0.08859257  0.92468029  0.14592415
   0.34968667  0.84321355  0.25868837
   0.14141528  0.66207885  0.49296761
   0.39548707  0.60797481  0.88956538
   0.09718982  0.90064806  0.62643827
   0.35217394  0.91844047  0.73576604
   0.66261953  0.14781657  1.01252617
   0.89037220  0.11587429  0.38618623
   0.64179064  0.40216277  0.12110365
   0.89831741  0.29574255  0.21174257
   0.65286392  0.16186629  0.51856597
   0.91005092  0.10425343  0.88767459
   0.60306095  0.42322031  0.62283343
   0.78466783  0.34514991  0.80974024
   0.65180155  0.66449957  0.00287483
   0.88151768  0.60209572  0.37329410
   0.58845520  0.91000765  0.14536544
   0.82863778  0.87180305  0.25991884
   0.63647510  0.65790866  0.48791986
   0.89876903  0.60911622  0.89235988
   0.62997119  0.93844395  0.66253954
   0.86791520  0.85676088  0.76497119
   0.10265995  0.07567495  0.11120439
   0.39263873  0.18950047  0.28752077
   0.12776224  0.31308002  0.05632384
   0.36994772  0.43322105  0.36386340
   0.54619922  0.37666923  0.21648049
   0.29580052  0.40721265  0.18131564
   0.29652216  0.09846926  0.47115486
   0.04104875  0.16161133  0.40124888
   0.09818614  0.05445470  0.57356352
   0.42875693  0.21616182  0.78825212
   0.18763254  0.30873620  0.52748908
   0.36500588  0.45090368  0.86570191
   0.44995399  0.39837996  0.66379964
   0.21545749  0.36293561  0.70950271
   0.30994187  0.17317866 -0.03674707
   0.04771945  0.17301230  0.92649218
   0.12350641  0.58299527  0.11422856
   0.38292310  0.69163541  0.28716721
   0.11512781  0.82435740  0.05435955
   0.38806603  0.93416737  0.34200853
   0.42424534  0.86558383  0.15445816
   0.18766456  0.88095900  0.23934430
   0.29446941  0.65770183  0.45641357
   0.03657748  0.62591884  0.40071628
   0.11012706  0.54863357  0.58295814
   0.36039740  0.69413279  0.79113764
   0.12065512  0.81096004  0.52810547
   0.37182219  0.96202865  0.84888650
   0.48162685  0.87726209  0.66506811
   0.19618927  0.85013769  0.71768307
   0.30029576  0.66431856 -0.02881628
   0.04968042  0.63281541  0.92901682
   0.61530389  0.06059450  0.10573786
   0.81642579  0.20267310  0.29928742
   0.62471986  0.29482154  0.03732452
   0.86102963  0.44526798  0.34288267
   0.03736166  0.39833648  0.22078354
   0.79877285  0.40577107  0.15143981
   0.80180824  0.12805954  0.48208618
   0.55832368  0.09897143  0.43530281
   0.61739386  0.10541092  0.62377451
   0.86156421  0.19968325  0.79757979
   0.61760664  0.33050886  0.52520901
   0.88544497  0.46062640  0.85247687
   0.96667287  0.34503013  0.62324872
   0.72660656  0.40755813  0.70077687
   0.81171907  0.10509454  0.98821798
   0.56916533  0.10061214  0.91937145
   0.59112649  0.53951686  0.07314620
   0.82097854  0.71040097  0.29306018
   0.64393841  0.80181172  0.06202464
   0.88204066  0.95915090  0.35299009
   0.93364656  0.88380852  0.16735899
   0.67078960  0.91092453  0.24989245
   0.79755602  0.61718520  0.48602961
   0.54809799  0.60254767  0.40607900
   0.58434751  0.58798838  0.59080159
   0.87956937  0.70074853  0.79284103
   0.59692008  0.81790032  0.48004886
   0.92087455  0.95301057  0.84973233
   0.94288732  0.89149233  0.66420004
   0.71333346  0.92449266  0.76662425
   0.80100467  0.64533765  0.97363984
   0.54472022  0.67192997  0.91406641
   0.72448246  0.87134860  0.59120335
   0.67948721  0.87838931  0.46629722
   0.91930884  0.21983975  0.12691695
   0.77201023  0.41314128  0.32399029
   0.32351648  0.05441916  0.68383079
   0.27742910  0.69534110  0.77231911
   0.01117102  1.15317539  0.16066018
   0.17018605  0.98323371 -0.00970298
   0.68527698  0.31278926  0.88753050
   0.91674214  0.40319695  0.57862862
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912635   -0.052367   -0.038903
    -0.000000    9.985731    0.291685
    -0.000000   -0.000000   13.810151
   Si   O    H 
    32    64    10
Direct configuration=   254
   0.16388513  0.15291898  0.00994245
   0.40810490  0.08625817  0.38547644
   0.14118180  0.42728629  0.13703199
   0.39296867  0.35564997  0.26428849
   0.15342845  0.15632485  0.49488790
   0.41590302  0.10543221  0.88541101
   0.12275881  0.38990860  0.61476345
   0.36721070  0.36592872  0.75780494
   0.15001537  0.67917468  0.01670618
   0.38973935  0.59657729  0.37980751
   0.08900318  0.92299198  0.14529658
   0.35031208  0.84274494  0.26000191
   0.14308118  0.66227876  0.49322453
   0.39693963  0.60739721  0.88939918
   0.09872567  0.89967421  0.62605396
   0.35282124  0.91881431  0.73559534
   0.66184663  0.14806523  1.01327188
   0.88996689  0.11510921  0.38567304
   0.64266149  0.40329520  0.12099271
   0.89722119  0.29555704  0.21242415
   0.65203978  0.16233761  0.51884214
   0.90790176  0.10479654  0.88675438
   0.60393609  0.42431466  0.62346469
   0.78445978  0.34576179  0.80952108
   0.65173825  0.66516974  0.00289033
   0.88193376  0.60225601  0.37334842
   0.58827999  0.90864233  0.14491799
   0.82892629  0.87283638  0.25991336
   0.63729286  0.65777693  0.48803395
   0.89887909  0.60772599  0.89251007
   0.62973680  0.93760393  0.66250126
   0.86886246  0.85651957  0.76586160
   0.10261857  0.07356205  0.11009380
   0.39161952  0.19008373  0.28711129
   0.12771006  0.31224590  0.05676896
   0.36966130  0.43357190  0.36387167
   0.54488828  0.37749563  0.21681922
   0.29673939  0.40697403  0.18063579
   0.29781831  0.09894636  0.47050769
   0.03982302  0.16027776  0.40142417
   0.09758207  0.05459612  0.57312851
   0.42933038  0.21526641  0.78834486
   0.18951617  0.30832120  0.52717651
   0.36315191  0.45200590  0.86536688
   0.45014277  0.39977499  0.66137927
   0.21438312  0.36357862  0.70914313
   0.30978262  0.17359449 -0.03727729
   0.04647738  0.17225008  0.92646673
   0.12262375  0.58415178  0.11450503
   0.38281308  0.69282742  0.28641057
   0.11433667  0.82392480  0.05473088
   0.38827371  0.93510163  0.34322069
   0.42596864  0.86645908  0.15483213
   0.18946939  0.88145026  0.23899581
   0.29519574  0.65647893  0.45713973
   0.03811347  0.62545551  0.39950875
   0.11090560  0.54966364  0.58285308
   0.36072596  0.69299559  0.79379056
   0.11904643  0.81133979  0.52933745
   0.37281400  0.96175175  0.84893878
   0.48359745  0.87615742  0.66448219
   0.19648654  0.85120859  0.71836532
   0.29867516  0.66507146 -0.02866230
   0.04648073  0.63340966  0.92875567
   0.61419421  0.05891253  0.10698339
   0.81709868  0.20231646  0.29836944
   0.62402331  0.29684913  0.03817154
   0.86006670  0.44488310  0.34346796
   0.03621299  0.39970223  0.22084390
   0.79913586  0.40438957  0.15095995
   0.80287785  0.12625080  0.48221490
   0.55949232  0.09787667  0.43707529
   0.61750327  0.10580333  0.62322651
   0.86011492  0.19828341  0.79762629
   0.61641838  0.33056323  0.52559452
   0.88778201  0.45988809  0.85277508
   0.96649719  0.34601480  0.62434142
   0.72697969  0.40867891  0.70136329
   0.81286039  0.10582389  0.98791358
   0.57029329  0.10027240  0.91902695
   0.59148574  0.53903272  0.07306271
   0.82084270  0.71050390  0.29380020
   0.64445438  0.80305033  0.06138749
   0.88157678  0.95851892  0.35313445
   0.93326880  0.88417563  0.16742067
   0.67110528  0.91008334  0.25052127
   0.79882438  0.61770006  0.48664417
   0.54847160  0.60292071  0.40612174
   0.58453304  0.58851144  0.59062598
   0.88082181  0.70087017  0.79332810
   0.59483747  0.81616077  0.48008141
   0.92124143  0.95192320  0.85046247
   0.94228461  0.89072600  0.66404105
   0.71348927  0.92468179  0.76825390
   0.80226457  0.64563000  0.97345060
   0.54342524  0.67095857  0.91453051
   0.71720107  0.88297203  0.60204976
   0.68243485  0.88638434  0.46159226
   0.92176767  0.21394294  0.12839820
   0.76143925  0.40503046  0.32104956
   0.32362408  0.05326957  0.68800772
   0.26124005  0.69885571  0.76071243
   0.01349536  1.15516483  0.16818586
   0.17211032  0.97986128 -0.01039861
   0.67870422  0.32129073  0.88410837
   0.90833016  0.40395780  0.57678066
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911091   -0.049059   -0.037924
    -0.000000    9.986598    0.290949
    -0.000000   -0.000000   13.810129
   Si   O    H 
    32    64    10
Direct configuration=   255
   0.16365342  0.15413679  0.01143698
   0.40713070  0.08718996  0.38470954
   0.14196036  0.42717240  0.13788393
   0.39287942  0.35553042  0.26404246
   0.15350984  0.15594426  0.49445415
   0.41578187  0.10646656  0.88577057
   0.12185848  0.38975336  0.61440636
   0.36674711  0.36463257  0.75748012
   0.14985889  0.68024134  0.01616713
   0.39038893  0.59591659  0.38037293
   0.08951740  0.92084533  0.14520651
   0.35103607  0.84246005  0.26122565
   0.14392415  0.66233652  0.49305639
   0.39811496  0.60652526  0.88891901
   0.10012454  0.89867661  0.62566108
   0.35325891  0.91976140  0.73535179
   0.66127933  0.14795517  1.01355374
   0.88975683  0.11365479  0.38445016
   0.64380343  0.40424742  0.12126848
   0.89680732  0.29597710  0.21303466
   0.65168791  0.16348454  0.51904043
   0.90621942  0.10496210  0.88564714
   0.60387603  0.42535589  0.62410751
   0.78409588  0.34681070  0.80915587
   0.65061781  0.66652507  0.00253785
   0.88177632  0.60182193  0.37327796
   0.58776103  0.90746484  0.14445541
   0.82973282  0.87344696  0.26016237
   0.63837950  0.65715671  0.48830930
   0.89981399  0.60687255  0.89236438
   0.62966743  0.93766758  0.66285204
   0.86998726  0.85653850  0.76673117
   0.10287385  0.07194380  0.10868996
   0.39030997  0.19071493  0.28650302
   0.12759892  0.31084075  0.05712314
   0.36917685  0.43334424  0.36359787
   0.54424588  0.37797121  0.21666670
   0.29719748  0.40662686  0.18004927
   0.29984483  0.09914257  0.46964774
   0.03971780  0.15804525  0.40171449
   0.09676240  0.05389122  0.57344017
   0.43003056  0.21440718  0.78857666
   0.19015771  0.30793971  0.52643298
   0.36145780  0.45322454  0.86455787
   0.44956191  0.40186144  0.65888316
   0.21369341  0.36458620  0.70914160
   0.31023454  0.17467408 -0.03727532
   0.04489940  0.17072726  0.92624331
   0.12194692  0.58534467  0.11474758
   0.38180835  0.69337934  0.28534537
   0.11426074  0.82363919  0.05516945
   0.38789027  0.93612296  0.34410232
   0.42850792  0.86709390  0.15518755
   0.19061055  0.88173276  0.23892231
   0.29596538  0.65550380  0.45832355
   0.04078766  0.62582915  0.39873346
   0.11099081  0.55158387  0.58198895
   0.35981053  0.69236688  0.79551041
   0.11739938  0.81172393  0.53057128
   0.37322642  0.96069106  0.84885887
   0.48451685  0.87513122  0.66399879
   0.19618795  0.85233429  0.71926322
   0.29721904  0.66640255 -0.02767565
   0.04357659  0.63357199  0.92859949
   0.61239383  0.05686425  0.10773321
   0.81809982  0.20195481  0.29651173
   0.62330866  0.29916501  0.03906533
   0.85755461  0.44528108  0.34390330
   0.03452220  0.40097581  0.22176274
   0.79911969  0.40256572  0.15078455
   0.80408650  0.12424514  0.48331393
   0.56033452  0.09717203  0.43901854
   0.61779358  0.10611692  0.62283418
   0.85790560  0.19764877  0.79748426
   0.61617799  0.33001017  0.52649200
   0.88992554  0.45899475  0.85331306
   0.96549165  0.34668780  0.62535481
   0.72752853  0.40931558  0.70249941
   0.81427381  0.10660927  0.98772264
   0.57284437  0.10002143  0.91855250
   0.59240595  0.53863899  0.07258296
   0.82109812  0.71041432  0.29441133
   0.64517400  0.80463870  0.06106893
   0.88131713  0.95725164  0.35362147
   0.93241790  0.88354600  0.16689165
   0.67064998  0.90949204  0.25055875
   0.80080217  0.61820620  0.48667128
   0.54873924  0.60266295  0.40578837
   0.58490271  0.58783700  0.59089054
   0.88112337  0.70132395  0.79408889
   0.59394451  0.81534826  0.48062805
   0.92228608  0.95089537  0.85205781
   0.94215433  0.88975628  0.66395090
   0.71397226  0.92394818  0.76997122
   0.80323138  0.64553848  0.97339576
   0.54221639  0.67039231  0.91468252
   0.71957714  0.89138359  0.60724662
   0.66954142  0.88203391  0.46207895
   0.91807937  0.20844879  0.13046534
   0.76099614  0.40494270  0.32153538
   0.32504083  0.05130284  0.69417665
   0.25443647  0.70193439  0.75657912
   0.01816913  1.15776856  0.17678056
   0.17160967  0.98593469 -0.01174973
   0.66958411  0.33038976  0.87747924
   0.90715196  0.40317512  0.57926185
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909727   -0.045147   -0.036650
    -0.000000    9.987757    0.290551
    -0.000000   -0.000000   13.810377
   Si   O    H 
    32    64    10
Direct configuration=   256
   0.16382630  0.15628798  0.01254847
   0.40670425  0.08811736  0.38417832
   0.14328438  0.42684101  0.13834045
   0.39294941  0.35530464  0.26409265
   0.15351831  0.15491173  0.49371797
   0.41551800  0.10737546  0.88613410
   0.12065875  0.38933827  0.61359832
   0.36618064  0.36322826  0.75729206
   0.14956650  0.68120636  0.01580562
   0.39109167  0.59497047  0.38115145
   0.08978031  0.91847562  0.14498017
   0.35075625  0.84222563  0.26198953
   0.14432313  0.66248336  0.49286630
   0.39874802  0.60599312  0.88849108
   0.10072772  0.89794429  0.62493460
   0.35372521  0.92059401  0.73499327
   0.66056408  0.14746159  1.01346899
   0.88907165  0.11209877  0.38321541
   0.64471744  0.40492643  0.12163182
   0.89665955  0.29625119  0.21386741
   0.65154271  0.16457405  0.51939537
   0.90469082  0.10404503  0.88483500
   0.60348024  0.42641995  0.62427583
   0.78375344  0.34811824  0.80856863
   0.64941392  0.66761905  0.00233099
   0.88106729  0.60100575  0.37294560
   0.58702821  0.90595365  0.14418114
   0.83035306  0.87330792  0.26095435
   0.63962694  0.65678501  0.48868386
   0.90038668  0.60637979  0.89163777
   0.62923241  0.93865824  0.66388039
   0.87053580  0.85664310  0.76777374
   0.10240838  0.07066506  0.10699528
   0.38834329  0.19133645  0.28647479
   0.12738880  0.31022943  0.05721579
   0.36944305  0.43364278  0.36332369
   0.54381835  0.37872240  0.21683036
   0.29784316  0.40638016  0.17997610
   0.30135628  0.09839021  0.46965830
   0.04029213  0.15633351  0.40223968
   0.09631022  0.05207791  0.57469637
   0.43010890  0.21363401  0.78882873
   0.18985555  0.30748760  0.52545461
   0.35971099  0.45405530  0.86327911
   0.44868239  0.40376406  0.65670768
   0.21335280  0.36523521  0.70987436
   0.31114747  0.17582298 -0.03730153
   0.04421196  0.16899220  0.92649091
   0.12150090  0.58657041  0.11461118
   0.38058655  0.69359414  0.28437620
   0.11435121  0.82321588  0.05534911
   0.38834725  0.93701417  0.34466520
   0.43077326  0.86724892  0.15528169
   0.19084623  0.88229628  0.23882928
   0.29728176  0.65459093  0.46024013
   0.04421002  0.62604827  0.39870396
   0.11035993  0.55403504  0.58093339
   0.35859194  0.69216876  0.79649823
   0.11494179  0.81249122  0.53166994
   0.37364870  0.95853383  0.84895523
   0.48413506  0.87404626  0.66418193
   0.19683614  0.85350558  0.71943276
   0.29621210  0.66677417 -0.02637020
   0.04131721  0.63425054  0.92900622
   0.61146619  0.05572530  0.10809600
   0.81926198  0.20183494  0.29449852
   0.62308005  0.30144617  0.03948432
   0.85429774  0.44540690  0.34438073
   0.03329547  0.40126304  0.22296843
   0.79947572  0.40080094  0.15095578
   0.80478611  0.12217529  0.48477826
   0.56004246  0.09721353  0.44009694
   0.61876495  0.10592316  0.62331830
   0.85486378  0.19727013  0.79709971
   0.61557770  0.32908105  0.52762740
   0.89191550  0.45797303  0.85302569
   0.96316348  0.34776316  0.62557337
   0.72784290  0.40951131  0.70386151
   0.81568236  0.10734077  0.98708844
   0.57543406  0.10032189  0.91788830
   0.59372255  0.53867007  0.07221338
   0.82105160  0.70984084  0.29450176
   0.64623295  0.80597325  0.06156930
   0.88118382  0.95597963  0.35382383
   0.93097045  0.88318818  0.16632561
   0.67038782  0.90881881  0.25054699
   0.80334950  0.61825794  0.48715088
   0.54904514  0.60215629  0.40481376
   0.58592707  0.58729792  0.59122246
   0.88210836  0.70179886  0.79521738
   0.59354092  0.81579141  0.48070795
   0.92341286  0.95061250  0.85337302
   0.94245612  0.88909943  0.66348948
   0.71435806  0.92298866  0.77113300
   0.80349720  0.64535235  0.97455742
   0.54146906  0.66964859  0.91486092
   0.73394830  0.89172129  0.60195694
   0.64875770  0.87217903  0.46653795
   0.91284673  0.20358035  0.13286360
   0.76985877  0.41139034  0.32341238
   0.32559964  0.05440679  0.69621164
   0.26046172  0.70593204  0.75689461
   0.02515887  1.15916607  0.18585635
   0.17233058  0.99360673 -0.01282931
   0.66647435  0.34212513  0.87084391
   0.90998271  0.39956593  0.58390104
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908785   -0.041292   -0.035775
    -0.000000    9.989267    0.289530
    -0.000000   -0.000000   13.809625
   Si   O    H 
    32    64    10
Direct configuration=   257
   0.16305882  0.15797025  0.01286159
   0.40671748  0.08865049  0.38335422
   0.14400931  0.42606210  0.13888450
   0.39300272  0.35493717  0.26469258
   0.15362500  0.15385813  0.49327007
   0.41494355  0.10784434  0.88638312
   0.11962404  0.38942143  0.61266855
   0.36533481  0.36189327  0.75717475
   0.14925001  0.68186793  0.01518676
   0.39147930  0.59341670  0.38145510
   0.08990766  0.91642514  0.14482645
   0.35017759  0.84199089  0.26242586
   0.14450264  0.66279398  0.49277637
   0.39866704  0.60563640  0.88826565
   0.10122826  0.89728188  0.62393144
   0.35414011  0.92121638  0.73457548
   0.66025078  0.14715151  1.01354533
   0.88807087  0.11072542  0.38201305
   0.64508139  0.40548205  0.12206508
   0.89704215  0.29666097  0.21414016
   0.65149360  0.16558691  0.51968716
   0.90306553  0.10289188  0.88383189
   0.60355800  0.42710537  0.62455730
   0.78329098  0.34968855  0.80761958
   0.64882569  0.66881392  0.00233021
   0.88070123  0.60038853  0.37320864
   0.58628870  0.90403259  0.14404076
   0.83096383  0.87218281  0.26154074
   0.64075229  0.65628402  0.48882182
   0.90112074  0.60583116  0.89029058
   0.62897361  0.94007618  0.66467751
   0.87005481  0.85743233  0.76873144
   0.10253453  0.06857760  0.10586018
   0.38659463  0.19143731  0.28660161
   0.12711994  0.31060212  0.05733076
   0.36917674  0.43431141  0.36332882
   0.54361774  0.37963881  0.21622793
   0.29811503  0.40656314  0.17916239
   0.30222907  0.09660877  0.47020842
   0.04154291  0.15451715  0.40294390
   0.09577376  0.05129511  0.57637289
   0.43077139  0.21306425  0.78930396
   0.18950447  0.30779228  0.52443926
   0.35754580  0.45446138  0.86183598
   0.44826614  0.40579862  0.65547471
   0.21404450  0.36523696  0.71089528
   0.31173388  0.17688225 -0.03735288
   0.04377644  0.16796892  0.92584543
   0.12138582  0.58695730  0.11390606
   0.37958179  0.69272340  0.28332839
   0.11531580  0.82305275  0.05527037
   0.38902331  0.93857617  0.34554631
   0.43299393  0.86732480  0.15588069
   0.19094238  0.88289076  0.23858368
   0.29853476  0.65375668  0.46223421
   0.04707884  0.62635727  0.39857619
   0.11013917  0.55574358  0.57995487
   0.35638429  0.69207889  0.79620246
   0.11274357  0.81226944  0.53234174
   0.37436239  0.95689066  0.84840814
   0.48319955  0.87295082  0.66454588
   0.19763157  0.85546647  0.71946555
   0.29512415  0.66621958 -0.02506087
   0.04058403  0.63515637  0.92993527
   0.61079918  0.05487410  0.10855130
   0.82102502  0.20259947  0.29256806
   0.62303803  0.30342117  0.03983407
   0.85232110  0.44562648  0.34499145
   0.03209155  0.40025963  0.22449658
   0.79988288  0.39964139  0.15083985
   0.80508149  0.12068118  0.48565487
   0.55839771  0.09743667  0.44017047
   0.61898011  0.10470498  0.62401042
   0.85111185  0.19758698  0.79680527
   0.61550497  0.32748990  0.52867622
   0.89393688  0.45704053  0.85218556
   0.96172552  0.34867624  0.62580886
   0.72776713  0.40960337  0.70533168
   0.81603127  0.10799085  0.98660309
   0.57714507  0.10152414  0.91747215
   0.59525774  0.54015367  0.07191164
   0.82215336  0.70978508  0.29411145
   0.64833543  0.80712990  0.06218489
   0.88171298  0.95518423  0.35412343
   0.93031593  0.88281223  0.16626305
   0.66969348  0.90787480  0.25027240
   0.80603013  0.61886189  0.48722398
   0.54995694  0.60131592  0.40420826
   0.58715353  0.58605138  0.59124230
   0.88251573  0.70276815  0.79587241
   0.59146848  0.81375278  0.48071563
   0.92521045  0.95042591  0.85505184
   0.94314145  0.88798446  0.66265081
   0.71450145  0.92152190  0.77221677
   0.80277744  0.64463847  0.97567272
   0.54081228  0.66931071  0.91516820
   0.74520039  0.89057882  0.59693992
   0.65800743  0.88892317  0.46524750
   0.90735343  0.20107279  0.13757731
   0.76928783  0.41749218  0.32540125
   0.32451788  0.05821245  0.69697774
   0.27798314  0.70654900  0.76004954
   0.02726056  1.16397638  0.19204743
   0.17423970  1.00249502 -0.01626716
   0.66165317  0.34885531  0.86436957
   0.90423419  0.40545411  0.58082180
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907354   -0.037650   -0.035177
    -0.000000    9.990682    0.288274
    -0.000000   -0.000000   13.808573
   Si   O    H 
    32    64    10
Direct configuration=   258
   0.16268327  0.15988200  0.01281893
   0.40704718  0.08975791  0.38201652
   0.14444330  0.42480836  0.13898464
   0.39316636  0.35417108  0.26512896
   0.15339538  0.15342071  0.49256942
   0.41432472  0.10755249  0.88670782
   0.11935755  0.38998325  0.61204729
   0.36442390  0.36096799  0.75709468
   0.14889605  0.68281751  0.01453340
   0.39199273  0.59197238  0.38186706
   0.08979980  0.91396263  0.14505484
   0.34945628  0.84232521  0.26257019
   0.14375706  0.66284806  0.49246052
   0.39847410  0.60499897  0.88847829
   0.10144892  0.89708664  0.62309605
   0.35432023  0.92205920  0.73445447
   0.66006969  0.14671676  1.01330767
   0.88676667  0.10894533  0.38123452
   0.64486621  0.40616107  0.12223075
   0.89802324  0.29719172  0.21415562
   0.65138711  0.16621869  0.51989965
   0.90185793  0.10154298  0.88327474
   0.60365582  0.42767510  0.62490595
   0.78318498  0.35087044  0.80646668
   0.64771488  0.66986885  0.00275285
   0.88033795  0.60024058  0.37377086
   0.58609974  0.90233390  0.14371843
   0.83182038  0.87050379  0.26261901
   0.64163226  0.65594412  0.48942733
   0.90224576  0.60558310  0.88910342
   0.62859629  0.94148857  0.66531211
   0.86930570  0.85745154  0.76966623
   0.10288443  0.06604402  0.10550868
   0.38495362  0.19122236  0.28683783
   0.12688816  0.31123751  0.05723147
   0.36893579  0.43513019  0.36350294
   0.54299682  0.38061575  0.21571724
   0.29787069  0.40680871  0.17819711
   0.30374807  0.09537325  0.47019530
   0.04317980  0.15274261  0.40400633
   0.09506743  0.05078779  0.57845546
   0.43140228  0.21306538  0.79009578
   0.18969744  0.30802798  0.52373931
   0.35527915  0.45389687  0.86010119
   0.44736062  0.40759322  0.65393629
   0.21379896  0.36491016  0.71184516
   0.31307673  0.17759733 -0.03753203
   0.04243192  0.16718263  0.92537493
   0.12168815  0.58671686  0.11327292
   0.37934690  0.69185315  0.28269696
   0.11686349  0.82249764  0.05486134
   0.39017654  0.94022598  0.34613299
   0.43506247  0.86647495  0.15629763
   0.19054372  0.88414251  0.23826184
   0.29995504  0.65338859  0.46421258
   0.04907194  0.62742951  0.39885870
   0.10994464  0.55815724  0.57908441
   0.35495100  0.69330968  0.79592395
   0.11040832  0.81109396  0.53184316
   0.37581902  0.95644063  0.84798327
   0.48126042  0.87266050  0.66488226
   0.19811160  0.85785722  0.71928450
   0.29483644  0.66413423 -0.02406957
   0.04186681  0.63601343  0.93178800
   0.61005225  0.05443764  0.10898818
   0.82219235  0.20330371  0.29080490
   0.62371868  0.30452290  0.03958220
   0.85044031  0.44583382  0.34531538
   0.03054479  0.39922794  0.22558722
   0.80054385  0.39899921  0.15047102
   0.80521669  0.11991486  0.48667090
   0.55687652  0.09802420  0.44028910
   0.61925729  0.10308071  0.62470403
   0.84728358  0.19865664  0.79620854
   0.61550363  0.32615185  0.52985893
   0.89541723  0.45595630  0.85087059
   0.96021187  0.34893369  0.62608965
   0.72719089  0.40995607  0.70651982
   0.81583826  0.10861094  0.98611082
   0.57732334  0.10202908  0.91765840
   0.59696284  0.54154793  0.07085139
   0.82342467  0.70968859  0.29395595
   0.64980062  0.80821991  0.06277463
   0.88244481  0.95374487  0.35426755
   0.92910012  0.88297326  0.16661358
   0.66845282  0.90679062  0.25000117
   0.80830000  0.61925849  0.48679660
   0.55025159  0.59993091  0.40391457
   0.58802692  0.58548598  0.59119520
   0.88255910  0.70352442  0.79612248
   0.59020374  0.81179025  0.48033985
   0.92782652  0.95107872  0.85647977
   0.94354194  0.88656597  0.66177109
   0.71479274  0.91934983  0.77345691
   0.80175298  0.64411208  0.97713589
   0.54070454  0.66865373  0.91529961
   0.74769443  0.88986823  0.59617827
   0.66271457  0.89806356  0.46502300
   0.90579914  0.20160318  0.14383435
   0.75279957  0.41835290  0.32465261
   0.32088806  0.06221147  0.69789192
   0.28507390  0.70638010  0.75890348
   0.03091858  1.16747606  0.19596749
   0.18058499  1.00905811 -0.02017311
   0.65421075  0.35237433  0.86041053
   0.89881743  0.41175916  0.57958422
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905646   -0.034338   -0.034676
    -0.000000    9.992640    0.286916
    -0.000000   -0.000000   13.807766
   Si   O    H 
    32    64    10
Direct configuration=   259
   0.16208581  0.16110697  0.01293976
   0.40789971  0.09121540  0.38093355
   0.14456782  0.42384332  0.13900675
   0.39302037  0.35418117  0.26531399
   0.15287752  0.15321013  0.49198574
   0.41436352  0.10743709  0.88694150
   0.11899684  0.39086077  0.61159780
   0.36357143  0.36054224  0.75682278
   0.14840207  0.68346966  0.01401991
   0.39239041  0.59071471  0.38214945
   0.08921376  0.91150848  0.14517010
   0.34840647  0.84299759  0.26221289
   0.14278226  0.66290569  0.49254139
   0.39752385  0.60390172  0.88843106
   0.10102835  0.89714418  0.62229223
   0.35455663  0.92344678  0.73418159
   0.66049598  0.14658706  1.01295678
   0.88553692  0.10715501  0.38104512
   0.64432761  0.40734164  0.12247986
   0.89928712  0.29820232  0.21383176
   0.65103450  0.16722920  0.52011068
   0.90147273  0.10041471  0.88308069
   0.60356795  0.42766466  0.62523411
   0.78368501  0.35172488  0.80542805
   0.64633523  0.67026849  0.00306859
   0.88035515  0.60040212  0.37459341
   0.58676866  0.90060143  0.14338637
   0.83266266  0.86907572  0.26330657
   0.64268300  0.65567126  0.49022064
   0.90285880  0.60503528  0.88803817
   0.62840614  0.94258971  0.66535895
   0.86830944  0.85794132  0.77043335
   0.10350429  0.06464342  0.10537521
   0.38332002  0.19033003  0.28676313
   0.12650047  0.31113404  0.05649460
   0.36800814  0.43592217  0.36305168
   0.54251377  0.38164538  0.21507764
   0.29810115  0.40617750  0.17740200
   0.30452469  0.09402350  0.46996338
   0.04489218  0.15129884  0.40511030
   0.09442984  0.05056451  0.58011576
   0.43193624  0.21406961  0.79093797
   0.18922210  0.30815376  0.52353851
   0.35344051  0.45312305  0.85787124
   0.44594050  0.40879925  0.65292512
   0.21274826  0.36446026  0.71209503
   0.31503107  0.17788624 -0.03766761
   0.04115501  0.16635892  0.92497564
   0.12217158  0.58656512  0.11241520
   0.37925747  0.68998916  0.28250405
   0.11869681  0.82257769  0.05423156
   0.39205191  0.94103064  0.34682586
   0.43608672  0.86554920  0.15711570
   0.19042261  0.88537593  0.23795014
   0.30209093  0.65283544  0.46646659
   0.05046968  0.62848210  0.39920910
   0.10857328  0.56007688  0.57870286
   0.35550601  0.69435842  0.79591963
   0.10835913  0.80983452  0.53066535
   0.37761518  0.95627051  0.84819955
   0.47842491  0.87154545  0.66507191
   0.19877707  0.86053251  0.71896013
   0.29493631  0.66086789 -0.02346550
   0.04348778  0.63739342  0.93397418
   0.60822138  0.05469869  0.10874736
   0.82342159  0.20392526  0.28942575
   0.62450633  0.30401665  0.03930523
   0.84719105  0.44588223  0.34508366
   0.03025363  0.39759674  0.22632710
   0.80087499  0.39770381  0.15075840
   0.80509393  0.11918663  0.48729908
   0.55496807  0.09962504  0.43998499
   0.61863835  0.10120960  0.62559128
   0.84352598  0.20010863  0.79544872
   0.61519942  0.32520255  0.53079659
   0.89626137  0.45466682  0.84990989
   0.95872506  0.34932622  0.62578404
   0.72677123  0.41060348  0.70725899
   0.81502537  0.10899958  0.98532009
   0.57685092  0.10150499  0.91751830
   0.59902150  0.54326994  0.07017236
   0.82470835  0.70899809  0.29333030
   0.65071369  0.80906482  0.06305865
   0.88429750  0.95364296  0.35431166
   0.92753320  0.88342096  0.16673359
   0.66731572  0.90613800  0.24980384
   0.81051323  0.61951188  0.48627773
   0.55050200  0.59853280  0.40292957
   0.58952080  0.58557549  0.59190007
   0.88231117  0.70412072  0.79615887
   0.58950909  0.81085688  0.48013431
   0.93145458  0.95030326  0.85680156
   0.94346652  0.88563803  0.66141230
   0.71466777  0.91758432  0.77331815
   0.80077685  0.64377958  0.97771273
   0.54038144  0.66830079  0.91553615
   0.74202759  0.89031952  0.59867748
   0.65485461  0.89200574  0.46747539
   0.90633253  0.19820078  0.14388820
   0.74472540  0.42448480  0.32417330
   0.31624681  0.06230085  0.69641249
   0.26732677  0.70954142  0.74554986
   0.03409732  1.16787014  0.19915891
   0.18890775  1.01596831 -0.02372417
   0.64562606  0.35595180  0.85406122
   0.90331147  0.41084297  0.58440893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903878   -0.031409   -0.034386
    -0.000000    9.994507    0.285858
    -0.000000   -0.000000   13.807274
   Si   O    H 
    32    64    10
Direct configuration=   260
   0.16139729  0.16307967  0.01244073
   0.40875296  0.09230021  0.38015566
   0.14441039  0.42343105  0.13928406
   0.39339028  0.35392110  0.26502955
   0.15244360  0.15318237  0.49168387
   0.41522179  0.10715343  0.88694650
   0.11886372  0.39202977  0.61085957
   0.36323004  0.36031327  0.75646328
   0.14707419  0.68376900  0.01372984
   0.39285649  0.59048907  0.38233327
   0.08828729  0.90880649  0.14548080
   0.34797870  0.84376950  0.26147607
   0.14135159  0.66322709  0.49214974
   0.39542755  0.60338657  0.88834608
   0.09986410  0.89669838  0.62213353
   0.35552842  0.92525218  0.73392636
   0.66118457  0.14637191  1.01298035
   0.88430004  0.10579068  0.38101320
   0.64325408  0.40824192  0.12299494
   0.90020150  0.29984795  0.21318072
   0.65058436  0.16817752  0.52020600
   0.90175675  0.09957269  0.88328654
   0.60380738  0.42747497  0.62549189
   0.78384146  0.35337728  0.80441544
   0.64520560  0.67088307  0.00337814
   0.88056366  0.60062724  0.37531487
   0.58752173  0.89961644  0.14299592
   0.83309377  0.86771962  0.26410350
   0.64386100  0.65560173  0.49107196
   0.90385265  0.60483746  0.88694799
   0.62780986  0.94388987  0.66530129
   0.86731797  0.85798969  0.77101795
   0.10431086  0.06404998  0.10589143
   0.38168113  0.18965521  0.28586421
   0.12631088  0.31177072  0.05591369
   0.36717800  0.43715980  0.36307381
   0.54139263  0.38249102  0.21500175
   0.29763112  0.40583638  0.17627800
   0.30475925  0.09285031  0.46974553
   0.04588172  0.14957951  0.40581944
   0.09397452  0.05111211  0.58176044
   0.43139866  0.21509696  0.79170059
   0.18848868  0.30758349  0.52304018
   0.35232611  0.45199250  0.85664712
   0.44415487  0.40928916  0.65248583
   0.21162195  0.36410842  0.71180231
   0.31673823  0.17781605 -0.03736317
   0.04048276  0.16529803  0.92439388
   0.12248082  0.58569675  0.11153717
   0.37879871  0.68763090  0.28244100
   0.11994365  0.82285394  0.05366220
   0.39440834  0.94085128  0.34729786
   0.43565801  0.86469436  0.15820784
   0.18949127  0.88695893  0.23720737
   0.30361645  0.65273199  0.46852918
   0.05159342  0.62869906  0.39975909
   0.10765419  0.56094338  0.57889754
   0.35577388  0.69596338  0.79548958
   0.10591519  0.80851241  0.52925901
   0.37991365  0.95641917  0.84836110
   0.47624887  0.87033661  0.66606802
   0.19963224  0.86320286  0.71810796
   0.29562789  0.65846799 -0.02325963
   0.04546299  0.63843311  0.93560260
   0.60618349  0.05468531  0.10801568
   0.82441915  0.20543332  0.28859791
   0.62511836  0.30275510  0.03933621
   0.84442155  0.44550667  0.34470278
   0.03020102  0.39600548  0.22663794
   0.80095966  0.39675143  0.15073291
   0.80544262  0.11884742  0.48796872
   0.55257849  0.10073753  0.43833432
   0.61834106  0.09986021  0.62648814
   0.84015185  0.20180719  0.79521599
   0.61572983  0.32453705  0.53252901
   0.89676912  0.45218944  0.84885878
   0.95662438  0.34941806  0.62529752
   0.72639287  0.41158652  0.70711741
   0.81399978  0.10983271  0.98437830
   0.57557675  0.10147761  0.91713924
   0.60120475  0.54491500  0.06888531
   0.82612028  0.70815291  0.29308148
   0.65248120  0.80985053  0.06261658
   0.88635524  0.95379166  0.35453454
   0.92615765  0.88358359  0.16686182
   0.66693271  0.90520524  0.24915346
   0.81185520  0.61959460  0.48543384
   0.55086914  0.59673002  0.40243111
   0.59049635  0.58566274  0.59275563
   0.88230802  0.70432774  0.79546775
   0.58909085  0.81064036  0.47992910
   0.93384144  0.94939273  0.85695413
   0.94351177  0.88439513  0.66141586
   0.71434356  0.91595785  0.77283292
   0.80010888  0.64287649  0.97794654
   0.54022090  0.66762164  0.91527824
   0.73806454  0.89232369  0.60674022
   0.64202424  0.87556980  0.47198183
   0.90980421  0.19396558  0.14113168
   0.75059544  0.43259799  0.32427647
   0.31463717  0.06085442  0.69500161
   0.25762988  0.70861786  0.74374261
   0.03582273  1.16470940  0.19945859
   0.19860728  1.01981690 -0.02675962
   0.63881901  0.35688042  0.84983099
   0.90635525  0.41132370  0.58853841
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902174   -0.029039   -0.034084
    -0.000000    9.996177    0.284933
    -0.000000   -0.000000   13.806559
   Si   O    H 
    32    64    10
Direct configuration=   261
   0.16043116  0.16521943  0.01156305
   0.40889755  0.09248300  0.37974008
   0.14465707  0.42302416  0.13972109
   0.39406646  0.35334579  0.26454412
   0.15200091  0.15330315  0.49167197
   0.41568012  0.10654045  0.88689415
   0.11836431  0.39350923  0.61045561
   0.36322215  0.36032805  0.75615512
   0.14600394  0.68345324  0.01377415
   0.39338099  0.59055346  0.38209137
   0.08779833  0.90598876  0.14544020
   0.34719220  0.84465277  0.26032810
   0.14015567  0.66301688  0.49172482
   0.39315813  0.60338440  0.88840103
   0.09814114  0.89681353  0.62217910
   0.35626871  0.92652432  0.73338425
   0.66166651  0.14647540  1.01359019
   0.88273283  0.10463856  0.38152939
   0.64203981  0.40876842  0.12368105
   0.90112951  0.30169996  0.21244657
   0.64986057  0.16893150  0.52035395
   0.90233085  0.09978775  0.88333190
   0.60321381  0.42723592  0.62571817
   0.78411226  0.35493637  0.80390377
   0.64489661  0.67158428  0.00378869
   0.88064061  0.60077313  0.37606283
   0.58816432  0.89901439  0.14253419
   0.83369908  0.86629243  0.26472934
   0.64451032  0.65587508  0.49209604
   0.90477649  0.60451612  0.88635889
   0.62770138  0.94502813  0.66511849
   0.86655152  0.85791241  0.77118288
   0.10575480  0.06359471  0.10614942
   0.37972060  0.19005253  0.28481775
   0.12509743  0.31239816  0.05537813
   0.36658191  0.43781948  0.36292327
   0.54022275  0.38361442  0.21488782
   0.29657725  0.40550965  0.17528233
   0.30394059  0.09103250  0.46970203
   0.04642601  0.14778888  0.40615349
   0.09352484  0.05137583  0.58313696
   0.43086409  0.21560719  0.79238046
   0.18716157  0.30692628  0.52225636
   0.35135073  0.45074047  0.85564326
   0.44202999  0.40909413  0.65243780
   0.21062888  0.36329430  0.71135314
   0.31882213  0.17729694 -0.03721159
   0.04029158  0.16442597  0.92401189
   0.12197429  0.58461047  0.11049420
   0.37773147  0.68426364  0.28249810
   0.12087550  0.82425111  0.05321250
   0.39675130  0.94047258  0.34785004
   0.43498028  0.86369268  0.15906735
   0.18855762  0.88848808  0.23645436
   0.30482245  0.65240949  0.47003612
   0.05158653  0.62892892  0.39924938
   0.10606084  0.56100317  0.57923522
   0.35556454  0.69804633  0.79396573
   0.10351663  0.80762914  0.52847590
   0.38195849  0.95725678  0.84930116
   0.47408902  0.86987546  0.66736731
   0.20036842  0.86564988  0.71726783
   0.29609204  0.65538739 -0.02342233
   0.04720653  0.63954442  0.93645757
   0.60483849  0.05520320  0.10685448
   0.82545141  0.20683661  0.28866403
   0.62532838  0.30114029  0.03904397
   0.84232633  0.44518302  0.34372620
   0.03054417  0.39531086  0.22708045
   0.80148952  0.39698935  0.15051264
   0.80520893  0.11821814  0.48803908
   0.55057908  0.10200292  0.43679623
   0.61853934  0.09816525  0.62712053
   0.83731333  0.20297362  0.79492433
   0.61595447  0.32422545  0.53415814
   0.89722340  0.45090727  0.84793579
   0.95541895  0.34946336  0.62490133
   0.72569989  0.41251206  0.70605279
   0.81322599  0.11154520  0.98333514
   0.57428928  0.10259091  0.91671338
   0.60279995  0.54730953  0.06826878
   0.82725033  0.70781213  0.29302315
   0.65341227  0.80982998  0.06191718
   0.88781687  0.95381834  0.35467307
   0.92516745  0.88397750  0.16735580
   0.66728749  0.90446901  0.24852673
   0.81215595  0.62021461  0.48428699
   0.55161752  0.59550912  0.40279576
   0.59270688  0.58600532  0.59348818
   0.88218856  0.70399841  0.79468491
   0.58784592  0.80851184  0.47943691
   0.93591825  0.94822751  0.85710542
   0.94309080  0.88303594  0.66230733
   0.71297998  0.91494106  0.77196917
   0.79907748  0.64179332  0.97794228
   0.54053495  0.66795172  0.91529434
   0.73325809  0.89218826  0.61160330
   0.65045003  0.88477081  0.47424859
   0.91789663  0.19284325  0.13704470
   0.75488368  0.43873408  0.32336579
   0.31411957  0.05892050  0.69508334
   0.25529261  0.70681572  0.75053535
   0.03630450  1.15788403  0.19898628
   0.20799618  1.01756027 -0.02620628
   0.63986285  0.36002682  0.84846157
   0.90055054  0.42130962  0.58798842
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900669   -0.026499   -0.033704
    -0.000000    9.997609    0.283634
    -0.000000   -0.000000   13.805872
   Si   O    H 
    32    64    10
Direct configuration=   262
   0.15868570  0.16711017  0.01060351
   0.40908758  0.09208516  0.37955956
   0.14515798  0.42288583  0.14066482
   0.39445413  0.35299263  0.26386871
   0.15230662  0.15278901  0.49163907
   0.41618140  0.10576149  0.88676941
   0.11784782  0.39512978  0.61001438
   0.36394127  0.36066493  0.75577158
   0.14565013  0.68280933  0.01416537
   0.39364061  0.59070476  0.38198578
   0.08698004  0.90428887  0.14540720
   0.34679073  0.84539218  0.25954337
   0.13888396  0.66309152  0.49095034
   0.39051648  0.60375004  0.88871216
   0.09627954  0.89712465  0.62183221
   0.35673695  0.92772633  0.73273521
   0.66144173  0.14621705  1.01423989
   0.88176447  0.10473831  0.38186637
   0.64072757  0.40889177  0.12437706
   0.90148033  0.30329500  0.21146389
   0.64998433  0.16946757  0.52029157
   0.90277459  0.10034237  0.88356392
   0.60254432  0.42675144  0.62636337
   0.78473648  0.35678275  0.80368106
   0.64506675  0.67232024  0.00407264
   0.88068505  0.60071507  0.37677535
   0.58893600  0.89889689  0.14201664
   0.83384275  0.86530337  0.26582674
   0.64504122  0.65621151  0.49307041
   0.90553232  0.60416852  0.88604176
   0.62753575  0.94560840  0.66510234
   0.86575431  0.85911962  0.77092036
   0.10752117  0.06253991  0.10630768
   0.37819137  0.19093275  0.28381612
   0.12410652  0.31377396  0.05494295
   0.36648846  0.43763562  0.36284779
   0.53926535  0.38488969  0.21462308
   0.29563561  0.40481572  0.17469102
   0.30289687  0.08963393  0.46940359
   0.04636919  0.14598046  0.40638582
   0.09348077  0.05292377  0.58404143
   0.42969587  0.21639519  0.79297058
   0.18530525  0.30623619  0.52118259
   0.35120912  0.44931595  0.85459412
   0.44022824  0.40812569  0.65275201
   0.20975642  0.36250712  0.71082087
   0.32082157  0.17702759 -0.03719055
   0.04082802  0.16352185  0.92346749
   0.12173745  0.58357234  0.10953921
   0.37594331  0.68134466  0.28284789
   0.12129853  0.82545481  0.05307723
   0.39907536  0.93957590  0.34751745
   0.43419685  0.86302363  0.16016724
   0.18769613  0.88929532  0.23629297
   0.30455760  0.65160686  0.47096702
   0.05075430  0.62883490  0.39816877
   0.10403492  0.56051365  0.57966982
   0.35448102  0.70001449  0.79201495
   0.10041304  0.80628475  0.52758286
   0.38390945  0.95727085  0.85007110
   0.47332734  0.86972533  0.66903446
   0.20128964  0.86802004  0.71632568
   0.29680685  0.65195648 -0.02375093
   0.04845056  0.64020909  0.93691264
   0.60390115  0.05588574  0.10599365
   0.82660077  0.20735763  0.28924366
   0.62563359  0.29971593  0.03844679
   0.84111178  0.44526408  0.34296765
   0.03141635  0.39471527  0.22741924
   0.80070493  0.39730271  0.14975170
   0.80460644  0.11752551  0.48775104
   0.54830641  0.10352769  0.43566749
   0.61849093  0.09652324  0.62754184
   0.83504327  0.20378718  0.79398591
   0.61619413  0.32410759  0.53526853
   0.89760040  0.44926106  0.84710508
   0.95489105  0.35068733  0.62460289
   0.72429955  0.41345096  0.70416046
   0.81281790  0.11320726  0.98214654
   0.57372069  0.10362466  0.91674187
   0.60396069  0.54931493  0.06807033
   0.82822755  0.70765966  0.29326684
   0.65343489  0.81017164  0.06109135
   0.88891931  0.95328460  0.35420735
   0.92404667  0.88499413  0.16751299
   0.66841922  0.90368403  0.24792753
   0.81192348  0.61980409  0.48308035
   0.55353380  0.59393166  0.40350797
   0.59503523  0.58616195  0.59400070
   0.88161166  0.70355554  0.79437497
   0.58680217  0.80637687  0.47930711
   0.93757877  0.94687273  0.85689664
   0.94291950  0.88178824  0.66327208
   0.71146080  0.91354493  0.77098405
   0.79942744  0.64030591  0.97680631
   0.54118204  0.66808634  0.91523837
   0.72932523  0.88853279  0.60978193
   0.66169482  0.89247984  0.47597146
   0.92632672  0.19857986  0.13587935
   0.73830820  0.44173929  0.32091302
   0.31826379  0.05705354  0.69243328
   0.26299937  0.70618013  0.76210286
   0.03628445  1.15186785  0.19542299
   0.21252624  1.01123271 -0.02487384
   0.64539387  0.36345320  0.85100699
   0.89700926  0.42943325  0.58969559
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898911   -0.023914   -0.033636
    -0.000000    9.999280    0.282487
    -0.000000   -0.000000   13.805621
   Si   O    H 
    32    64    10
Direct configuration=   263
   0.15699305  0.16885960  0.00990070
   0.40894947  0.09207465  0.37976614
   0.14570404  0.42326909  0.14201866
   0.39450095  0.35176310  0.26310117
   0.15267790  0.15154773  0.49200999
   0.41719140  0.10588596  0.88639613
   0.11754467  0.39703469  0.60999555
   0.36510770  0.36067174  0.75508528
   0.14578497  0.68214215  0.01458626
   0.39348058  0.59123513  0.38160056
   0.08615389  0.90310651  0.14580346
   0.34686770  0.84573271  0.25894942
   0.13738531  0.66273861  0.49015551
   0.38818359  0.60419890  0.88892778
   0.09454666  0.89772215  0.62195913
   0.35745481  0.92901580  0.73228187
   0.66099597  0.14580495  1.01497809
   0.88155507  0.10585270  0.38229522
   0.63875073  0.40880492  0.12492730
   0.90173704  0.30484757  0.21085761
   0.64972414  0.17025054  0.51985389
   0.90326908  0.10095662  0.88375734
   0.60196084  0.42686875  0.62668058
   0.78468861  0.35844146  0.80358070
   0.64487930  0.67303668  0.00397928
   0.88118779  0.60119085  0.37724133
   0.58985503  0.89866502  0.14152766
   0.83386414  0.86369834  0.26689679
   0.64579638  0.65677327  0.49381166
   0.90636274  0.60381582  0.88552608
   0.62734071  0.94639102  0.66495623
   0.86477245  0.86036996  0.77071634
   0.10921441  0.06185106  0.10660570
   0.37608465  0.19183627  0.28241620
   0.12324346  0.31470340  0.05489460
   0.36632369  0.43593324  0.36241010
   0.53907239  0.38600703  0.21517207
   0.29590316  0.40341742  0.17387155
   0.30251087  0.08870884  0.46891371
   0.04572401  0.14399410  0.40596124
   0.09452288  0.05568817  0.58476038
   0.42850381  0.21761634  0.79303247
   0.18326371  0.30535092  0.52030880
   0.35131034  0.44892990  0.85373641
   0.43905531  0.40670174  0.65319007
   0.20762080  0.36105626  0.71054532
   0.32227582  0.17756619 -0.03688420
   0.04163020  0.16290721  0.92274564
   0.12232001  0.58231338  0.10840928
   0.37356420  0.67883757  0.28320162
   0.12173241  0.82586715  0.05242370
   0.40071697  0.93836941  0.34725105
   0.43308570  0.86176373  0.16178289
   0.18719691  0.88968330  0.23610083
   0.30413502  0.65107979  0.47158136
   0.04937001  0.62889714  0.39696757
   0.10273333  0.55931322  0.57995272
   0.35377213  0.70119078  0.79024281
   0.09713345  0.80595604  0.52671537
   0.38516055  0.95696897  0.85063120
   0.47335084  0.86966944  0.67035374
   0.20191435  0.86929121  0.71544292
   0.29705996  0.64907735 -0.02479494
   0.04800858  0.64111608  0.93633633
   0.60333282  0.05702515  0.10520484
   0.82732271  0.20749165  0.29032911
   0.62559691  0.29795777  0.03774551
   0.83979886  0.44576706  0.34244951
   0.03333676  0.39328220  0.22808023
   0.79919740  0.39820170  0.14931313
   0.80331528  0.11713675  0.48755734
   0.54651421  0.10507372  0.43476481
   0.61814085  0.09510613  0.62816386
   0.83352733  0.20362465  0.79383708
   0.61721260  0.32344719  0.53607230
   0.89840814  0.44823355  0.84680396
   0.95325353  0.35251904  0.62398228
   0.72299585  0.41419153  0.70212038
   0.81134447  0.11465108  0.98155280
   0.57315324  0.10548250  0.91642253
   0.60514091  0.55067527  0.06842828
   0.82958653  0.70808033  0.29345748
   0.65401900  0.81065669  0.05970589
   0.88972259  0.95274531  0.35330341
   0.92296325  0.88568337  0.16776198
   0.66966604  0.90212050  0.24727379
   0.81151212  0.62009666  0.48203208
   0.55565146  0.59273037  0.40444529
   0.59717651  0.58641771  0.59477904
   0.88169576  0.70259425  0.79351155
   0.58683119  0.80484029  0.47961927
   0.93829143  0.94607532  0.85664854
   0.94261296  0.88088854  0.66456567
   0.70952206  0.91237954  0.77051284
   0.80030704  0.63880465  0.97548090
   0.54142718  0.66814872  0.91478724
   0.72867254  0.87947894  0.60513731
   0.65769261  0.88857203  0.48161074
   0.93223828  0.20853310  0.13655361
   0.73284753  0.44750592  0.32181636
   0.32556622  0.05466613  0.68923574
   0.27045010  0.70686576  0.77247334
   0.03862219  1.14508864  0.18983732
   0.21041163  1.00384490 -0.02248237
   0.65195872  0.36461529  0.85501134
   0.89765153  0.43119219  0.59244096
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897367   -0.021806   -0.033671
    -0.000000   10.001072    0.281715
    -0.000000   -0.000000   13.805377
   Si   O    H 
    32    64    10
Direct configuration=   264
   0.15593885  0.17032131  0.00922242
   0.40762173  0.09207299  0.38020928
   0.14607131  0.42407311  0.14293887
   0.39474828  0.35099200  0.26219174
   0.15312754  0.14962889  0.49273941
   0.41781711  0.10592713  0.88576281
   0.11725781  0.39799160  0.60954129
   0.36559378  0.36071024  0.75447294
   0.14672284  0.68174576  0.01532154
   0.39334314  0.59203163  0.38144502
   0.08520409  0.90222237  0.14634173
   0.34736797  0.84543738  0.25815372
   0.13589790  0.66230462  0.48919547
   0.38619452  0.60496684  0.88863510
   0.09273322  0.89863411  0.62201967
   0.35763205  0.93023534  0.73165587
   0.66091787  0.14526481  1.01538880
   0.88208565  0.10723523  0.38275787
   0.63658631  0.40835962  0.12507535
   0.90292832  0.30612340  0.21024988
   0.64890637  0.17011069  0.51943810
   0.90380503  0.10169397  0.88415185
   0.60092268  0.42692007  0.62707381
   0.78366218  0.35880185  0.80355868
   0.64492069  0.67356117  0.00382852
   0.88219957  0.60170218  0.37757450
   0.59107809  0.89893064  0.14126166
   0.83309159  0.86245789  0.26800712
   0.64632860  0.65693607  0.49432753
   0.90741004  0.60361708  0.88511869
   0.62697841  0.94589911  0.66481123
   0.86447863  0.86153097  0.77054949
   0.11161731  0.06170554  0.10710262
   0.37428119  0.19329774  0.28203473
   0.12223568  0.31497181  0.05458160
   0.36633027  0.43536742  0.36157444
   0.53897492  0.38747661  0.21573693
   0.29642193  0.40141900  0.17361390
   0.30188161  0.08827261  0.46800624
   0.04475433  0.14198467  0.40569611
   0.09550165  0.05838338  0.58560040
   0.42791577  0.21868384  0.79390856
   0.18035518  0.30460512  0.51970139
   0.35197085  0.44995464  0.85242437
   0.43919263  0.40455920  0.65412789
   0.20593993  0.35922058  0.71063558
   0.32282522  0.17812645 -0.03677888
   0.04385884  0.16314945  0.92220071
   0.12315281  0.58127866  0.10739205
   0.37120176  0.67658529  0.28398911
   0.12258923  0.82643498  0.05074403
   0.40212383  0.93729771  0.34659692
   0.43204399  0.86084786  0.16298394
   0.18682826  0.88975832  0.23631988
   0.30432300  0.65043250  0.47158358
   0.04677573  0.62911484  0.39567659
   0.10210491  0.55830010  0.58004094
   0.35468645  0.70228322  0.78908996
   0.09501107  0.80693341  0.52636115
   0.38600123  0.95679588  0.85104420
   0.47292676  0.86968805  0.67173590
   0.20178608  0.87011797  0.71380930
   0.29651543  0.64610907 -0.02569896
   0.04735617  0.64201582  0.93485341
   0.60257813  0.05800828  0.10453038
   0.82865537  0.20771537  0.29153887
   0.62448067  0.29589372  0.03723319
   0.83684830  0.44672550  0.34163918
   0.03580185  0.39260074  0.22816436
   0.79777719  0.39879583  0.14915487
   0.80206730  0.11701470  0.48761335
   0.54643952  0.10624958  0.43473165
   0.61776305  0.09431224  0.62825715
   0.83235824  0.20330824  0.79394179
   0.61802431  0.32277401  0.53715072
   0.89935172  0.44823501  0.84620397
   0.95185864  0.35410154  0.62320025
   0.72309581  0.41467957  0.70006596
   0.80994615  0.11656337  0.98079441
   0.57292635  0.10695233  0.91654417
   0.60612944  0.55144423  0.06928447
   0.83143741  0.70828399  0.29398098
   0.65555049  0.81054738  0.05819369
   0.89012785  0.95212888  0.35196626
   0.92081191  0.88587336  0.16855006
   0.67201484  0.90010523  0.24647708
   0.81036840  0.62069631  0.48111336
   0.55766170  0.58974246  0.40539198
   0.59985693  0.58611651  0.59583663
   0.88189204  0.70135280  0.79248003
   0.58718824  0.80370022  0.48011741
   0.93889246  0.94545978  0.85605364
   0.94164005  0.88027472  0.66515175
   0.70742812  0.91140864  0.77011504
   0.80106117  0.63686184  0.97384862
   0.54098126  0.66729804  0.91408291
   0.72441243  0.86869370  0.59707237
   0.64343852  0.87428246  0.48890865
   0.93944763  0.21774299  0.13543592
   0.74399161  0.45240751  0.32469647
   0.32881780  0.06018392  0.68292699
   0.24960234  0.70919575  0.77438213
   0.03919392  1.14028600  0.18203992
   0.20097386  0.99920140 -0.02104512
   0.65935531  0.36399880  0.86047188
   0.90482024  0.42640257  0.59509208
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895826   -0.019200   -0.033532
    -0.000000   10.002862    0.281116
    -0.000000   -0.000000   13.804943
   Si   O    H 
    32    64    10
Direct configuration=   265
   0.15514149  0.17157046  0.00855434
   0.40688728  0.09179732  0.38085771
   0.14666550  0.42575480  0.14357166
   0.39489607  0.35032965  0.26179633
   0.15380920  0.14816494  0.49342666
   0.41863264  0.10514554  0.88528857
   0.11612177  0.39915524  0.60883990
   0.36615478  0.36033518  0.75398636
   0.14829399  0.68107744  0.01615803
   0.39382071  0.59246061  0.38161589
   0.08369888  0.90177148  0.14685635
   0.34766672  0.84466650  0.25777271
   0.13530142  0.66182220  0.48817666
   0.38478568  0.60566144  0.88783927
   0.09178195  0.89908021  0.62258369
   0.35663315  0.93169126  0.73106410
   0.66121774  0.14479433  1.01579404
   0.88289688  0.10881737  0.38293354
   0.63454010  0.40748961  0.12484292
   0.90350162  0.30713662  0.20933437
   0.64819996  0.16957689  0.51895265
   0.90401142  0.10225616  0.88409211
   0.59942933  0.42698297  0.62692275
   0.78274377  0.35856996  0.80379042
   0.64503954  0.67430763  0.00360931
   0.88317959  0.60165457  0.37799104
   0.59162911  0.89948367  0.14087425
   0.83213138  0.86109949  0.26886932
   0.64706443  0.65709345  0.49435432
   0.90830091  0.60396460  0.88485223
   0.62747602  0.94482930  0.66435066
   0.86468101  0.86299373  0.77054928
   0.11402390  0.06117741  0.10748911
   0.37260023  0.19370315  0.28181068
   0.12137434  0.31618525  0.05427847
   0.36638495  0.43456744  0.36119929
   0.53816869  0.39020273  0.21614605
   0.29695519  0.39944514  0.17322020
   0.30093270  0.08873679  0.46728997
   0.04432562  0.13947872  0.40510928
   0.09708544  0.06019080  0.58653034
   0.42755821  0.21971429  0.79488046
   0.17761952  0.30427160  0.51945908
   0.35293372  0.45137583  0.85075167
   0.43986739  0.40269450  0.65500811
   0.20354989  0.35788336  0.71083190
   0.32292788  0.17813344 -0.03634815
   0.04551945  0.16290273  0.92191909
   0.12452743  0.57973474  0.10670552
   0.36812812  0.67474101  0.28459608
   0.12426733  0.82742975  0.04898044
   0.40361681  0.93650971  0.34550272
   0.43117071  0.86007719  0.16377402
   0.18656310  0.88992508  0.23631136
   0.30441669  0.65066029  0.47192401
   0.04468909  0.62935612  0.39504466
   0.10194160  0.55657865  0.57985773
   0.35511915  0.70298831  0.78733702
   0.09263943  0.80814468  0.52596958
   0.38671281  0.95621716  0.85158489
   0.47347532  0.86985930  0.67202203
   0.20193092  0.86979322  0.71158881
   0.29491917  0.64429571 -0.02551801
   0.04642939  0.64305335  0.93311608
   0.60168319  0.05834237  0.10394135
   0.83061509  0.20821187  0.29276528
   0.62340986  0.29490440  0.03708488
   0.83470964  0.44812461  0.34100225
   0.03878328  0.39279840  0.22823188
   0.79597167  0.39953494  0.14879093
   0.80035024  0.11755641  0.48712982
   0.54678681  0.10808273  0.43493854
   0.61770822  0.09438576  0.62792607
   0.83182164  0.20286532  0.79438044
   0.61847485  0.32233187  0.53832356
   0.90057079  0.44847910  0.84594186
   0.95053146  0.35561866  0.62314230
   0.72309503  0.41474501  0.69906566
   0.80898532  0.11796469  0.98043928
   0.57374413  0.10829668  0.91656328
   0.60627871  0.55126168  0.07044012
   0.83378133  0.70715842  0.29455503
   0.65656406  0.81031395  0.05700335
   0.89065805  0.95128389  0.35104480
   0.91888976  0.88564810  0.16921122
   0.67402578  0.89851856  0.24515654
   0.80839304  0.62046036  0.48044551
   0.55979198  0.58735557  0.40632481
   0.60158257  0.58635419  0.59657419
   0.88227229  0.70031516  0.79158716
   0.58767161  0.80171978  0.48046696
   0.93859779  0.94494736  0.85562878
   0.94124694  0.88010008  0.66611126
   0.70593796  0.91040749  0.76928934
   0.80154824  0.63522555  0.97229637
   0.53967718  0.66584834  0.91322967
   0.71525872  0.86313461  0.59174756
   0.64060280  0.87508147  0.49349839
   0.94465923  0.22572437  0.13428307
   0.74552080  0.45471573  0.32739593
   0.33243368  0.06520801  0.67403281
   0.23927185  0.71071254  0.77693552
   0.03685510  1.13592957  0.17620252
   0.19453904  1.00070169 -0.02026972
   0.66863408  0.36546426  0.86556828
   0.90656850  0.42963835  0.59259491
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894609   -0.016547   -0.033284
    -0.000000   10.004370    0.280212
    -0.000000   -0.000000   13.804084
   Si   O    H 
    32    64    10
Direct configuration=   266
   0.15495702  0.17250053  0.00818637
   0.40596534  0.09145046  0.38147797
   0.14716416  0.42745879  0.14382172
   0.39545837  0.34948398  0.26153601
   0.15400105  0.14627192  0.49405571
   0.41898316  0.10480434  0.88503134
   0.11506854  0.39936842  0.60851853
   0.36624576  0.35981727  0.75349924
   0.14894913  0.68044785  0.01720052
   0.39468471  0.59267813  0.38154663
   0.08141832  0.90180347  0.14751278
   0.34772497  0.84376711  0.25801966
   0.13495280  0.66154543  0.48782335
   0.38425546  0.60700708  0.88687056
   0.09038659  0.90040935  0.62314092
   0.35518228  0.93295637  0.73093911
   0.66092459  0.14475329  1.01598661
   0.88379111  0.11016879  0.38328289
   0.63242556  0.40623744  0.12465017
   0.90354217  0.30843159  0.20864084
   0.64714037  0.16913144  0.51915232
   0.90484143  0.10287969  0.88411418
   0.59785367  0.42667048  0.62666154
   0.78167291  0.35814562  0.80412369
   0.64570011  0.67433138  0.00304311
   0.88380405  0.60192428  0.37812955
   0.59151375  0.90049333  0.14062426
   0.83121441  0.85923472  0.26956188
   0.64744681  0.65669192  0.49431686
   0.90841195  0.60428155  0.88454897
   0.62848362  0.94311696  0.66424561
   0.86540891  0.86400280  0.77006779
   0.11610293  0.06060113  0.10832313
   0.37050302  0.19409553  0.28212195
   0.12056414  0.31807422  0.05391398
   0.36647732  0.43396392  0.36066812
   0.53690046  0.39254478  0.21601198
   0.29789785  0.39821547  0.17325982
   0.30016071  0.08943002  0.46651872
   0.04356765  0.13709807  0.40419919
   0.09883476  0.06174854  0.58725025
   0.42692181  0.22073117  0.79650711
   0.17504085  0.30405396  0.51947901
   0.35456353  0.45236221  0.84999308
   0.44098275  0.40111040  0.65553525
   0.20119288  0.35737635  0.71097958
   0.32223832  0.17799287 -0.03580009
   0.04692961  0.16209647  0.92157957
   0.12543708  0.57874084  0.10624890
   0.36394731  0.67404183  0.28476297
   0.12608953  0.82880293  0.04708878
   0.40488299  0.93520167  0.34416563
   0.43154126  0.85953923  0.16377944
   0.18596444  0.88994820  0.23635777
   0.30408190  0.65064079  0.47202484
   0.04240444  0.63025010  0.39406277
   0.10154210  0.55481113  0.57991211
   0.35471611  0.70339149  0.78600351
   0.09149505  0.80942596  0.52645320
   0.38755376  0.95499533  0.85195277
   0.47487953  0.87071834  0.67205821
   0.20258121  0.86886473  0.70937374
   0.29284369  0.64276679 -0.02507232
   0.04587466  0.64387350  0.93143314
   0.60077151  0.05741834  0.10376957
   0.83231283  0.20909778  0.29417625
   0.62235168  0.29459374  0.03709482
   0.83422487  0.44948001  0.34055635
   0.04118776  0.39275884  0.22853771
   0.79459477  0.40092219  0.14840856
   0.79907984  0.11835828  0.48601380
   0.54843212  0.11070980  0.43564591
   0.61697800  0.09501025  0.62734678
   0.83182636  0.20295576  0.79483538
   0.61857598  0.32228596  0.53907671
   0.90256965  0.44907439  0.84554531
   0.94993898  0.35581951  0.62314123
   0.72335374  0.41488906  0.69792001
   0.80832684  0.11983752  0.97960281
   0.57463852  0.10885025  0.91655507
   0.60577625  0.55095377  0.07189275
   0.83563389  0.70584376  0.29520166
   0.65784794  0.81010127  0.05671930
   0.89205252  0.95067090  0.35043162
   0.91757211  0.88711521  0.16950417
   0.67602151  0.89720359  0.24392579
   0.80645338  0.62131886  0.48001032
   0.56199944  0.58464621  0.40731417
   0.60283048  0.58642705  0.59755986
   0.88361450  0.69985816  0.79102141
   0.58750818  0.80030018  0.48042765
   0.93822097  0.94411162  0.85523061
   0.94064147  0.88022707  0.66767198
   0.70389412  0.90880168  0.76811107
   0.80211476  0.63393838  0.97128240
   0.53798879  0.66386544  0.91236098
   0.70379710  0.86500059  0.59473672
   0.64308389  0.88705071  0.49380854
   0.94987168  0.22958835  0.13023679
   0.72836261  0.45734217  0.32916560
   0.33987484  0.06521333  0.66720128
   0.24685607  0.71079573  0.77937755
   0.03429040  1.13506403  0.17101594
   0.18718788  1.00769924 -0.01823242
   0.67160559  0.36632362  0.87366176
   0.90203658  0.43774120  0.58451729
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893166   -0.013952   -0.032813
    -0.000000   10.005891    0.279241
    -0.000000   -0.000000   13.803241
   Si   O    H 
    32    64    10
Direct configuration=   267
   0.15458897  0.17271305  0.00800334
   0.40472029  0.09156287  0.38167625
   0.14707510  0.42979830  0.14388153
   0.39526352  0.34877944  0.26112505
   0.15335673  0.14473262  0.49494206
   0.41889963  0.10495454  0.88481888
   0.11441237  0.39884578  0.60824812
   0.36509300  0.35928587  0.75280182
   0.14848652  0.67999088  0.01783865
   0.39579029  0.59278656  0.38183489
   0.07954277  0.90209841  0.14770855
   0.34777545  0.84260640  0.25844959
   0.13539387  0.66091925  0.48821130
   0.38414836  0.60859618  0.88610964
   0.08945407  0.90180200  0.62361089
   0.35311699  0.93427852  0.73143739
   0.65985459  0.14462823  1.01587772
   0.88435015  0.11185600  0.38303178
   0.62999704  0.40483680  0.12450040
   0.90405226  0.30949226  0.20802667
   0.64610741  0.16889929  0.51915628
   0.90548360  0.10385898  0.88413753
   0.59610391  0.42661002  0.62624931
   0.78101205  0.35800352  0.80403594
   0.64565155  0.67391372  0.00248190
   0.88465349  0.60219473  0.37826364
   0.59121074  0.90125656  0.14066922
   0.83068124  0.85759968  0.26985981
   0.64760450  0.65642762  0.49383605
   0.90843364  0.60398838  0.88456717
   0.62953894  0.94113321  0.66451630
   0.86604693  0.86459895  0.76989606
   0.11802213  0.06050715  0.10933986
   0.36885574  0.19426926  0.28222211
   0.11953860  0.32085305  0.05379248
   0.36619138  0.43343919  0.36037391
   0.53597701  0.39460256  0.21579348
   0.29949062  0.39680145  0.17370132
   0.29904836  0.09012752  0.46617625
   0.04276413  0.13507339  0.40356427
   0.10051041  0.06305124  0.58768866
   0.42594925  0.22235046  0.79790351
   0.17290653  0.30367802  0.51942817
   0.35695764  0.45351947  0.84953944
   0.44201147  0.39942086  0.65553929
   0.19924265  0.35742147  0.71124034
   0.32157437  0.17763571 -0.03459027
   0.04841348  0.16203212  0.92128096
   0.12645858  0.57761240  0.10696249
   0.35973033  0.67342789  0.28431470
   0.12779874  0.82989376  0.04564757
   0.40619174  0.93385707  0.34288166
   0.43285989  0.85937961  0.16333595
   0.18614331  0.88914633  0.23667949
   0.30332387  0.65092897  0.47198989
   0.04058208  0.63154781  0.39307761
   0.10079034  0.55309546  0.57947845
   0.35345308  0.70379247  0.78490454
   0.09012585  0.81006434  0.52687452
   0.38850021  0.95441549  0.85129413
   0.47647073  0.87151151  0.67133118
   0.20323453  0.86709811  0.70736374
   0.29115217  0.64117445 -0.02456223
   0.04592420  0.64517114  0.92993816
   0.59928097  0.05690249  0.10394710
   0.83461336  0.20918652  0.29526959
   0.62164541  0.29482439  0.03734533
   0.83285567  0.45079988  0.34036729
   0.04291491  0.39329403  0.22930698
   0.79248194  0.40204491  0.14798554
   0.79674540  0.11793880  0.48540035
   0.55031366  0.11346960  0.43619417
   0.61674018  0.09600384  0.62648762
   0.83151619  0.20319423  0.79509889
   0.61920776  0.32132539  0.54039823
   0.90461354  0.45000976  0.84524303
   0.94919165  0.35644274  0.62254713
   0.72365284  0.41485863  0.69674923
   0.80844994  0.12114632  0.97879048
   0.57610655  0.10923260  0.91710907
   0.60426791  0.55021684  0.07362218
   0.83646994  0.70386342  0.29589828
   0.65866795  0.81039799  0.05661030
   0.89321742  0.95073381  0.34988017
   0.91726033  0.88791948  0.16988131
   0.67778401  0.89463291  0.24315919
   0.80504569  0.62193723  0.47958061
   0.56397956  0.58253775  0.40827363
   0.60344091  0.58651491  0.59808643
   0.88467352  0.69914831  0.79043647
   0.58760876  0.79948625  0.48007310
   0.93769189  0.94395566  0.85456710
   0.94043201  0.88049246  0.66939594
   0.70200926  0.90740444  0.76672279
   0.80267241  0.63253015  0.96995701
   0.53607226  0.66152329  0.91223748
   0.70012422  0.86880792  0.60175792
   0.64268093  0.88930907  0.48758929
   0.94636173  0.23067801  0.12751211
   0.72249591  0.45739391  0.33348685
   0.34683638  0.06488645  0.66372086
   0.26643138  0.71236424  0.78051240
   0.03102646  1.13608052  0.16813391
   0.18080088  1.01237793 -0.01555855
   0.67141183  0.36530502  0.88141093
   0.90050876  0.43492451  0.58292222
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892187   -0.011071   -0.032333
    -0.000000   10.007316    0.278056
    -0.000000   -0.000000   13.802445
   Si   O    H 
    32    64    10
Direct configuration=   268
   0.15477224  0.17352435  0.00756456
   0.40337284  0.09142788  0.38155670
   0.14791398  0.43148049  0.14330542
   0.39449359  0.34820383  0.26075167
   0.15276117  0.14360794  0.49554844
   0.41896008  0.10503601  0.88431336
   0.11393959  0.39763089  0.60832082
   0.36353695  0.35984125  0.75296885
   0.14765695  0.67939242  0.01837951
   0.39719876  0.59282073  0.38216578
   0.07825150  0.90250147  0.14784280
   0.34789508  0.84152431  0.25873077
   0.13605201  0.66041467  0.48840555
   0.38439488  0.61052631  0.88535102
   0.08850290  0.90375441  0.62360153
   0.35116182  0.93597869  0.73180565
   0.65844340  0.14440056  1.01568432
   0.88500150  0.11321722  0.38312761
   0.62786116  0.40371383  0.12426700
   0.90432309  0.31041516  0.20720972
   0.64579677  0.16865162  0.51958115
   0.90586572  0.10520735  0.88372091
   0.59503368  0.42658747  0.62548130
   0.78040648  0.35836830  0.80363284
   0.64581088  0.67349072  0.00210700
   0.88523160  0.60263495  0.37821695
   0.59143035  0.90178472  0.14054893
   0.82982127  0.85625720  0.27003133
   0.64796693  0.65609494  0.49355954
   0.90900731  0.60382144  0.88459748
   0.63036561  0.93951917  0.66496254
   0.86615031  0.86508011  0.76975692
   0.11992098  0.06069276  0.11025653
   0.36773180  0.19258858  0.28307028
   0.11815390  0.32260610  0.05397145
   0.36586001  0.43286880  0.35960538
   0.53506113  0.39609561  0.21616429
   0.30010275  0.39626014  0.17357800
   0.29730411  0.09137469  0.46574082
   0.04207945  0.13345539  0.40350280
   0.10141159  0.06274916  0.58822199
   0.42433204  0.22336452  0.79903682
   0.16996934  0.30239522  0.52000206
   0.35915201  0.45519050  0.84892594
   0.44281800  0.39729569  0.65535331
   0.19753996  0.35806527  0.71106542
   0.32076036  0.17748675 -0.03280375
   0.04967315  0.16275755  0.92018035
   0.12803273  0.57745539  0.10786439
   0.35565384  0.67395743  0.28348060
   0.12904574  0.83119350  0.04491419
   0.40779571  0.93279357  0.34159082
   0.43459363  0.85939288  0.16278109
   0.18716311  0.88707256  0.23651336
   0.30184588  0.65170804  0.47137989
   0.03898594  0.63268606  0.39188199
   0.09978773  0.55208848  0.57846370
   0.35336164  0.70425347  0.78439051
   0.08853515  0.81080204  0.52772592
   0.38885188  0.95385586  0.85059804
   0.47893761  0.87146231  0.67053893
   0.20374268  0.86550586  0.70540926
   0.29089513  0.64039697 -0.02400307
   0.04621725  0.64648943  0.92842804
   0.59696368  0.05627339  0.10455769
   0.83727256  0.20929397  0.29604374
   0.62035453  0.29489267  0.03779006
   0.83111310  0.45172121  0.34021980
   0.04526279  0.39381296  0.22919047
   0.79116614  0.40292607  0.14784815
   0.79425947  0.11794749  0.48509949
   0.55216262  0.11592238  0.43697431
   0.61601685  0.09685687  0.62545470
   0.83201495  0.20312174  0.79541492
   0.61953064  0.32032463  0.54170893
   0.90701737  0.45113408  0.84446859
   0.94872150  0.35720574  0.62182957
   0.72396023  0.41415267  0.69639721
   0.81012159  0.12214061  0.97813717
   0.57786577  0.10916174  0.91803940
   0.60238851  0.54936450  0.07603054
   0.83746201  0.70247136  0.29692889
   0.65835093  0.81034652  0.05666012
   0.89442350  0.95081185  0.34985640
   0.91810110  0.88826898  0.17013747
   0.67879681  0.89217327  0.24249888
   0.80372533  0.62261275  0.47942055
   0.56425674  0.58061507  0.40868016
   0.60368521  0.58667516  0.59868432
   0.88541922  0.69916541  0.78935446
   0.58886006  0.79948901  0.47972804
   0.93698430  0.94490003  0.85406758
   0.93988760  0.88105309  0.67021102
   0.70088147  0.90603481  0.76588912
   0.80226858  0.63204374  0.96759990
   0.53413189  0.65875836  0.91250879
   0.70414180  0.86778578  0.60417778
   0.64007845  0.88204242  0.48098185
   0.94187919  0.22833432  0.12554277
   0.73401717  0.45658621  0.33899190
   0.34976006  0.06148739  0.66376007
   0.25905800  0.71603476  0.77720784
   0.02840271  1.13796559  0.16806111
   0.17872494  1.02071384 -0.01313948
   0.67362799  0.36447519  0.88651804
   0.90289322  0.42225615  0.58374226
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891083   -0.007916   -0.032279
    -0.000000   10.008781    0.276469
    -0.000000   -0.000000   13.801653
   Si   O    H 
    32    64    10
Direct configuration=   269
   0.15566486  0.17395296  0.00683026
   0.40286093  0.09141558  0.38125531
   0.14877118  0.43256340  0.14242794
   0.39398656  0.34810105  0.26052417
   0.15214679  0.14324954  0.49591061
   0.41859727  0.10545759  0.88369845
   0.11361119  0.39569045  0.60825594
   0.36123651  0.36027718  0.75297559
   0.14721643  0.67843046  0.01834563
   0.39877742  0.59284930  0.38204369
   0.07745914  0.90252299  0.14791925
   0.34797459  0.84049847  0.25919068
   0.13715141  0.65944388  0.48883690
   0.38471260  0.61208746  0.88425290
   0.08778075  0.90572675  0.62307206
   0.34913091  0.93770813  0.73167319
   0.65654158  0.14370789  1.01565372
   0.88542230  0.11425575  0.38287942
   0.62632331  0.40301142  0.12367029
   0.90423050  0.31106065  0.20634868
   0.64601815  0.16844263  0.51989674
   0.90605145  0.10605302  0.88319482
   0.59430365  0.42712618  0.62470823
   0.78010915  0.35882770  0.80350514
   0.64550988  0.67237868  0.00171248
   0.88500455  0.60256339  0.37821013
   0.59165394  0.90190716  0.14043163
   0.82913002  0.85490597  0.26961519
   0.64828069  0.65565629  0.49377438
   0.90928420  0.60337249  0.88429610
   0.63117444  0.93848229  0.66540066
   0.86606049  0.86529218  0.76962005
   0.12046692  0.06178237  0.11074608
   0.36664590  0.19078300  0.28352786
   0.11714071  0.32466087  0.05429322
   0.36475748  0.43268189  0.35857299
   0.53536187  0.39710117  0.21667695
   0.30021397  0.39631054  0.17450978
   0.29572808  0.09234442  0.46515788
   0.04199890  0.13272574  0.40377919
   0.10185178  0.06227933  0.58896772
   0.42309856  0.22410171  0.79960812
   0.16766321  0.30126477  0.52011664
   0.36169010  0.45646708  0.84779289
   0.44288173  0.39581621  0.65502706
   0.19710649  0.35908766  0.71087408
   0.31944007  0.17808072 -0.03103870
   0.05057253  0.16365429  0.91916523
   0.12909438  0.57825597  0.10896976
   0.35124816  0.67461347  0.28249178
   0.13039185  0.83289931  0.04544051
   0.40986361  0.93174368  0.34057905
   0.43654171  0.85975665  0.16202704
   0.18840789  0.88523335  0.23657128
   0.30078802  0.65247838  0.47078143
   0.03764057  0.63328751  0.39086606
   0.09972640  0.55139171  0.57714874
   0.35333523  0.70414517  0.78438800
   0.08720115  0.81107224  0.52873033
   0.38996374  0.95354932  0.84950364
   0.48076731  0.87140350  0.66961411
   0.20492261  0.86409987  0.70332683
   0.29091538  0.63984546 -0.02339051
   0.04718117  0.64798756  0.92725056
   0.59527526  0.05615863  0.10497769
   0.83870684  0.20933760  0.29657587
   0.61860151  0.29483738  0.03807860
   0.83000614  0.45279364  0.33953398
   0.04682371  0.39360555  0.22885217
   0.79031263  0.40310506  0.14805342
   0.79189984  0.11843905  0.48479827
   0.55259120  0.11838497  0.43724403
   0.61520127  0.09734915  0.62395159
   0.83332038  0.20261490  0.79575424
   0.62021146  0.32016801  0.54221075
   0.90869101  0.45194998  0.84335785
   0.94937361  0.35725135  0.62115280
   0.72394249  0.41357726  0.69643618
   0.81105273  0.12371489  0.97724321
   0.57932127  0.10865653  0.91879987
   0.60053379  0.54883093  0.07759170
   0.83725059  0.70120056  0.29722395
   0.65786840  0.81110951  0.05624299
   0.89588203  0.95095884  0.34991315
   0.91943794  0.88869589  0.16977542
   0.67932469  0.88927558  0.24225458
   0.80319893  0.62359460  0.47896767
   0.56377902  0.57870261  0.40903632
   0.60467693  0.58570322  0.59877690
   0.88626462  0.70025119  0.78703682
   0.59065130  0.80076149  0.47891676
   0.93649384  0.94661546  0.85395449
   0.93995987  0.88168412  0.67071147
   0.70040333  0.90397933  0.76629097
   0.80162069  0.63205573  0.96544590
   0.53295773  0.65625118  0.91290263
   0.71684358  0.86301040  0.59930887
   0.63946547  0.87173009  0.47547920
   0.93636195  0.22372698  0.12381277
   0.74434089  0.45614420  0.34475002
   0.34879318  0.05642349  0.66689859
   0.24459258  0.71506873  0.77167045
   0.02700413  1.13333671  0.16422395
   0.17853015  1.02906246 -0.00960239
   0.67534250  0.36488585  0.88680741
   0.90122635  0.41148335  0.58355950
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890066   -0.004801   -0.032146
    -0.000000   10.010416    0.275087
    -0.000000   -0.000000   13.801078
   Si   O    H 
    32    64    10
Direct configuration=   270
   0.15638237  0.17469689  0.00654944
   0.40212585  0.09104151  0.38088553
   0.14859835  0.43268924  0.14145598
   0.39318952  0.34817062  0.26016998
   0.15181318  0.14338385  0.49613919
   0.41845528  0.10627709  0.88392307
   0.11313843  0.39330583  0.60857051
   0.35870634  0.36038484  0.75293244
   0.14674415  0.67788717  0.01807746
   0.40057361  0.59249801  0.38229698
   0.07699497  0.90224490  0.14796475
   0.34771869  0.83910513  0.25929372
   0.13823486  0.65844560  0.48924238
   0.38523424  0.61380179  0.88329685
   0.08707194  0.90723619  0.62242803
   0.34706566  0.93831992  0.73154603
   0.65408125  0.14294594  1.01541887
   0.88526033  0.11460831  0.38275393
   0.62530813  0.40199753  0.12290207
   0.90398467  0.31119332  0.20552482
   0.64623922  0.16809816  0.52058463
   0.90576775  0.10692088  0.88280208
   0.59409743  0.42776699  0.62383955
   0.77946717  0.35909467  0.80325142
   0.64519197  0.67104943  0.00177657
   0.88486946  0.60188888  0.37799919
   0.59163983  0.90119201  0.14050623
   0.82859965  0.85448886  0.26960372
   0.64867245  0.65525925  0.49432877
   0.90952490  0.60256946  0.88418757
   0.63246639  0.93745383  0.66529458
   0.86574233  0.86473092  0.76958123
   0.12045888  0.06333228  0.11155601
   0.36563859  0.18843684  0.28409543
   0.11614871  0.32648882  0.05467970
   0.36401889  0.43290722  0.35748648
   0.53645614  0.39819269  0.21770159
   0.30001796  0.39648714  0.17528464
   0.29390217  0.09222418  0.46501508
   0.04307343  0.13172606  0.40445068
   0.10249578  0.06170836  0.59043511
   0.42163119  0.22507604  0.79967062
   0.16512355  0.30018177  0.52079065
   0.36431118  0.45850866  0.84652275
   0.44284041  0.39417067  0.65477025
   0.19700732  0.36007996  0.71074985
   0.31828982  0.17925980 -0.02942992
   0.05180955  0.16491862  0.91848293
   0.12993195  0.57975781  0.11012346
   0.34771140  0.67554932  0.28179046
   0.13160440  0.83451882  0.04557642
   0.41132228  0.93142291  0.33998653
   0.43785511  0.86040153  0.16141139
   0.18934527  0.88404130  0.23633991
   0.29894224  0.65305519  0.47007038
   0.03695828  0.63408985  0.39011949
   0.09985715  0.55168122  0.57574428
   0.35277022  0.70441948  0.78380728
   0.08631789  0.81145915  0.52980223
   0.39042649  0.95396289  0.84781547
   0.48207954  0.87179182  0.66846042
   0.20538571  0.86230996  0.70177415
   0.29060088  0.64015359 -0.02298627
   0.04868444  0.64870508  0.92657867
   0.59322386  0.05541664  0.10534415
   0.84125542  0.20950663  0.29721070
   0.61779437  0.29522668  0.03890154
   0.83111367  0.45361172  0.33859321
   0.04794454  0.39361903  0.22877069
   0.78986063  0.40231374  0.14886313
   0.79038177  0.11865804  0.48423084
   0.55186174  0.12114392  0.43700297
   0.61443611  0.09738971  0.62367222
   0.83587327  0.20252655  0.79528102
   0.62093723  0.32077873  0.54251759
   0.91025213  0.45292701  0.84198315
   0.95170093  0.35700286  0.62088282
   0.72436385  0.41278796  0.69672296
   0.81151217  0.12547303  0.97687649
   0.57975142  0.10814401  0.91903572
   0.59894155  0.54976996  0.07890707
   0.83766026  0.70140069  0.29769509
   0.65714627  0.81072770  0.05638714
   0.89634622  0.95168194  0.34955016
   0.92067335  0.88876500  0.16989808
   0.67931019  0.88648833  0.24251151
   0.80352702  0.62429603  0.47877625
   0.56337711  0.57699434  0.40916006
   0.60551355  0.58468327  0.59861039
   0.88689711  0.70125232  0.78440483
   0.59160821  0.80206167  0.47853123
   0.93534558  0.94905737  0.85383818
   0.94017204  0.88210449  0.67090456
   0.70084887  0.90226146  0.76679583
   0.80065476  0.63206800  0.96342398
   0.53200893  0.65495068  0.91391588
   0.72985174  0.86033669  0.59652903
   0.65396087  0.88450122  0.47058570
   0.92725442  0.21979385  0.12427659
   0.72222474  0.45603798  0.35350886
   0.34491309  0.05489058  0.67123556
   0.24952815  0.71438527  0.76635977
   0.02476780  1.13187956  0.16455786
   0.18279527  1.02874911 -0.01103685
   0.67774621  0.36754156  0.88209836
   0.88406852  0.41513985  0.57295323
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889124   -0.001740   -0.032634
    -0.000000   10.011858    0.273620
    -0.000000   -0.000000   13.800538
   Si   O    H 
    32    64    10
Direct configuration=   271
   0.15693694  0.17541668  0.00649258
   0.40143165  0.09039333  0.38052370
   0.14841927  0.43205205  0.14089677
   0.39182033  0.34804507  0.25979137
   0.15142676  0.14365740  0.49628508
   0.41828583  0.10681146  0.88419851
   0.11266805  0.39069146  0.60874055
   0.35593040  0.36098556  0.75319553
   0.14616214  0.67719532  0.01779338
   0.40222475  0.59239739  0.38205770
   0.07760533  0.90248572  0.14805679
   0.34744001  0.83733747  0.25930465
   0.13936875  0.65769251  0.49014110
   0.38560231  0.61498232  0.88268426
   0.08718754  0.90899621  0.62181796
   0.34489957  0.93783841  0.73092313
   0.65230150  0.14216175  1.01553757
   0.88533565  0.11435236  0.38257741
   0.62418600  0.40141295  0.12220039
   0.90414008  0.31104180  0.20471582
   0.64665764  0.16821480  0.52073212
   0.90585509  0.10812191  0.88215482
   0.59353160  0.42842092  0.62330607
   0.77975534  0.35943499  0.80276804
   0.64541347  0.66912184  0.00163973
   0.88458258  0.60051741  0.37799985
   0.59144360  0.90101539  0.14102752
   0.82879041  0.85463127  0.26947600
   0.64859829  0.65449642  0.49486769
   0.90947117  0.60202888  0.88381011
   0.63377994  0.93630961  0.66443674
   0.86558383  0.86393304  0.76965828
   0.12021226  0.06499542  0.11200036
   0.36458441  0.18569268  0.28535613
   0.11545843  0.32821093  0.05484373
   0.36314109  0.43399932  0.35682339
   0.53652383  0.39923463  0.21934653
   0.29934151  0.39697572  0.17665971
   0.29238789  0.09169276  0.46514276
   0.04453659  0.13112915  0.40579036
   0.10394674  0.06074900  0.59174890
   0.42058716  0.22606648  0.79987632
   0.16326861  0.29966798  0.52138168
   0.36662709  0.46092338  0.84533378
   0.44135782  0.39302544  0.65460340
   0.19747783  0.36036439  0.71048045
   0.31805225  0.17920503 -0.02756239
   0.05212337  0.16630398  0.91801657
   0.13048940  0.58217898  0.11117604
   0.34415491  0.67617685  0.28152602
   0.13311314  0.83566226  0.04510070
   0.41271213  0.93212011  0.34016584
   0.43859683  0.86099702  0.16123738
   0.18955492  0.88308936  0.23695486
   0.29796890  0.65317737  0.46897242
   0.03731078  0.63528674  0.38935170
   0.10029634  0.55253240  0.57421848
   0.35225070  0.70513014  0.78286919
   0.08557214  0.81117214  0.52994926
   0.38968153  0.95505877  0.84645850
   0.48317232  0.87209185  0.66740981
   0.20618912  0.86163306  0.70013721
   0.29092006  0.64035167 -0.02233037
   0.05017744  0.64958670  0.92612770
   0.59184679  0.05520541  0.10626413
   0.84415643  0.20902570  0.29676966
   0.61641079  0.29542520  0.03974870
   0.83241778  0.45449776  0.33792198
   0.04836958  0.39286409  0.22890992
   0.78954426  0.40165690  0.14972904
   0.78923258  0.11799661  0.48328539
   0.55034890  0.12262804  0.43688128
   0.61395663  0.09661906  0.62414398
   0.83808618  0.20272832  0.79509256
   0.62171252  0.32240482  0.54255211
   0.91144874  0.45386504  0.84090460
   0.95335314  0.35774862  0.62053696
   0.72474453  0.41183045  0.69746252
   0.81119633  0.12712864  0.97653481
   0.58032695  0.10718367  0.91913488
   0.59693503  0.55121309  0.07987893
   0.83776060  0.70262001  0.29752866
   0.65654994  0.81013045  0.05628753
   0.89686889  0.95258131  0.34963332
   0.92263514  0.88930847  0.16936520
   0.67876232  0.88466964  0.24271154
   0.80437765  0.62414632  0.47890127
   0.56207979  0.57584862  0.40904580
   0.60591489  0.58306829  0.59912722
   0.88778632  0.70204002  0.78206782
   0.59181066  0.80356983  0.47810811
   0.93396448  0.95137848  0.85346219
   0.94080414  0.88238041  0.67055763
   0.70173549  0.90026348  0.76747475
   0.79928024  0.63203596  0.96201147
   0.53202605  0.65423943  0.91479215
   0.73810107  0.86116004  0.59551644
   0.66291243  0.88674448  0.46730108
   0.91876959  0.21887554  0.12579108
   0.71833394  0.45555203  0.35801298
   0.33813330  0.06126090  0.67291498
   0.26378513  0.71236778  0.76357652
   0.02370015  1.13439967  0.16801945
   0.19395927  1.01838298 -0.01500971
   0.68030828  0.36849873  0.87553280
   0.87914028  0.40665244  0.56988700
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887736    0.001408   -0.032833
    -0.000000   10.013078    0.271824
    -0.000000   -0.000000   13.799729
   Si   O    H 
    32    64    10
Direct configuration=   272
   0.15707625  0.17587081  0.00623164
   0.40120483  0.09010624  0.38024686
   0.14899782  0.43076011  0.14024281
   0.39062645  0.34784880  0.25957571
   0.15085759  0.14414789  0.49628040
   0.41781763  0.10769303  0.88467565
   0.11168714  0.38850711  0.60909630
   0.35262376  0.36199533  0.75342614
   0.14549840  0.67707193  0.01764563
   0.40363235  0.59198626  0.38193192
   0.07933985  0.90285640  0.14804990
   0.34720830  0.83561405  0.25916247
   0.13973245  0.65731964  0.49074528
   0.38579840  0.61659708  0.88208490
   0.08701689  0.91093424  0.62147817
   0.34327093  0.93653718  0.73070965
   0.65060686  0.14119948  1.01539767
   0.88547366  0.11321487  0.38279147
   0.62404468  0.40115244  0.12163717
   0.90392330  0.31048511  0.20411042
   0.64613253  0.16772879  0.52134141
   0.90582763  0.10918266  0.88099569
   0.59329741  0.42902904  0.62314545
   0.78129376  0.35963998  0.80253284
   0.64538231  0.66690981  0.00136578
   0.88351484  0.59829446  0.37789559
   0.59127114  0.90091585  0.14184630
   0.82974982  0.85483619  0.26900173
   0.64855949  0.65345475  0.49529358
   0.90929260  0.60214679  0.88289088
   0.63486747  0.93569733  0.66341552
   0.86485387  0.86267149  0.76985763
   0.11997777  0.06722230  0.11250942
   0.36385126  0.18415769  0.28679593
   0.11458104  0.32968545  0.05520055
   0.36159478  0.43575418  0.35591156
   0.53720452  0.39971439  0.22101153
   0.29839718  0.39741881  0.17758177
   0.29109624  0.09116770  0.46472014
   0.04559714  0.12910406  0.40675942
   0.10531691  0.06027901  0.59342607
   0.41946795  0.22623019  0.79981665
   0.16196844  0.29991859  0.52201829
   0.36891338  0.46356337  0.84405792
   0.43958487  0.39222602  0.65457510
   0.19768416  0.36049232  0.71005385
   0.31816630  0.17871098 -0.02586103
   0.05125625  0.16682376  0.91698980
   0.13064818  0.58513609  0.11200986
   0.34188647  0.67685386  0.28164246
   0.13432974  0.83589450  0.04459685
   0.41387305  0.93287051  0.34052759
   0.43919450  0.86281548  0.16147881
   0.18894251  0.88188384  0.23722591
   0.29781854  0.65337607  0.46761567
   0.03845017  0.63558922  0.38933083
   0.10144648  0.55274320  0.57376827
   0.35226271  0.70566040  0.78243178
   0.08486633  0.81059067  0.52943134
   0.38827347  0.95664254  0.84609524
   0.48431328  0.87271727  0.66642548
   0.20668664  0.86204866  0.69860233
   0.29182147  0.64008552 -0.02213862
   0.05100915  0.65019640  0.92625887
   0.59131026  0.05453282  0.10721842
   0.84658603  0.20862293  0.29520671
   0.61578633  0.29517308  0.04060708
   0.83277321  0.45527209  0.33757615
   0.04814292  0.39152391  0.22908532
   0.78888030  0.40102513  0.15109441
   0.78976557  0.11743743  0.48252765
   0.54833367  0.12443756  0.43575194
   0.61411323  0.09530749  0.62497947
   0.84018644  0.20236486  0.79486538
   0.62230444  0.32455477  0.54249279
   0.91222546  0.45430693  0.83955195
   0.95448353  0.35914928  0.61999404
   0.72485337  0.40962611  0.69884698
   0.81137282  0.12885121  0.97727311
   0.58014063  0.10587871  0.91877300
   0.59552290  0.55325397  0.08076655
   0.83769277  0.70409329  0.29726229
   0.65554369  0.80878937  0.05572793
   0.89751616  0.95419694  0.34986042
   0.92430283  0.88959929  0.16861009
   0.67820890  0.88357286  0.24282183
   0.80448494  0.62367533  0.47859035
   0.56097777  0.57410222  0.40929670
   0.60649942  0.58307024  0.59870946
   0.88923582  0.70272571  0.78054699
   0.59242687  0.80576025  0.47772229
   0.93361285  0.95405258  0.85310794
   0.94235378  0.88330583  0.66967253
   0.70240252  0.89887409  0.76827823
   0.79689291  0.63170309  0.96112390
   0.53319475  0.65371792  0.91568244
   0.73749647  0.86876560  0.59847955
   0.65840159  0.87824999  0.46539132
   0.91206987  0.21834428  0.12935500
   0.73428582  0.45377017  0.35848974
   0.32904527  0.07385168  0.67575573
   0.26613020  0.71274246  0.75749234
   0.01988268  1.13938612  0.17222494
   0.20676515  1.00622976 -0.01729887
   0.67823740  0.36963518  0.87167068
   0.88366452  0.39388050  0.57612809
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886537    0.004335   -0.033035
    -0.000000   10.014325    0.270193
    -0.000000   -0.000000   13.798812
   Si   O    H 
    32    64    10
Direct configuration=   273
   0.15647455  0.17598323  0.00548500
   0.40163690  0.08912879  0.37973533
   0.14890994  0.42932611  0.13942318
   0.38944693  0.34764269  0.25974240
   0.14963325  0.14469893  0.49605692
   0.41774054  0.10936401  0.88510453
   0.11064957  0.38666102  0.60923035
   0.34942214  0.36294305  0.75371940
   0.14541177  0.67731548  0.01789463
   0.40514994  0.59141678  0.38161258
   0.08126932  0.90348690  0.14738644
   0.34649184  0.83453334  0.25899975
   0.13964413  0.65753587  0.49119965
   0.38627652  0.61767840  0.88120752
   0.08674064  0.91240436  0.62103401
   0.34220862  0.93559580  0.73012954
   0.64974809  0.14064189  1.01545885
   0.88519172  0.11213702  0.38313782
   0.62434318  0.40169056  0.12121709
   0.90348050  0.30981290  0.20356090
   0.64524762  0.16733297  0.52167417
   0.90593745  0.11044845  0.88009026
   0.59297355  0.42903762  0.62380596
   0.78263901  0.35972167  0.80224683
   0.64574886  0.66462885  0.00097203
   0.88236602  0.59591065  0.37769385
   0.59145506  0.90122363  0.14215438
   0.83183256  0.85583512  0.26856316
   0.64930515  0.65306893  0.49534625
   0.90914206  0.60272852  0.88201568
   0.63608735  0.93515827  0.66253837
   0.86382434  0.86137766  0.77000917
   0.11955305  0.06913079  0.11229787
   0.36333028  0.18293313  0.28842544
   0.11428327  0.33099558  0.05515033
   0.35941666  0.43666156  0.35524158
   0.53771348  0.40010230  0.22242502
   0.29680688  0.39767745  0.17812769
   0.29042620  0.09069644  0.46425902
   0.04755292  0.12813162  0.40758532
   0.10658177  0.06052598  0.59437995
   0.41867977  0.22671563  0.80001928
   0.16052807  0.29951507  0.52292092
   0.37135895  0.46622455  0.84238167
   0.43818224  0.39201550  0.65447926
   0.19760598  0.36057435  0.70981848
   0.31796383  0.17836728 -0.02469597
   0.05016666  0.16708177  0.91562619
   0.12996729  0.58768782  0.11267207
   0.34037513  0.67767274  0.28196406
   0.13460647  0.83572165  0.04495836
   0.41486574  0.93346679  0.34087305
   0.43994655  0.86478504  0.16155739
   0.18828985  0.87985824  0.23721682
   0.29741134  0.65271645  0.46616933
   0.04000949  0.63618944  0.38999191
   0.10318572  0.55158868  0.57382713
   0.35317328  0.70507843  0.78250155
   0.08521049  0.81028927  0.52804351
   0.38698041  0.95847382  0.84588650
   0.48448448  0.87417189  0.66549060
   0.20672087  0.86214470  0.69721191
   0.29209044  0.63971411 -0.02277003
   0.05131111  0.65055491  0.92606570
   0.59096867  0.05318338  0.10766879
   0.84895537  0.20798123  0.29299353
   0.61504162  0.29409956  0.04085012
   0.83258731  0.45622425  0.33794908
   0.04760174  0.39015652  0.22935522
   0.78822669  0.39987498  0.15219994
   0.79047816  0.11730927  0.48162660
   0.54589503  0.12571156  0.43426890
   0.61419311  0.09361039  0.62588814
   0.84049069  0.20188004  0.79439459
   0.62317103  0.32563940  0.54211158
   0.91220854  0.45427506  0.83797845
   0.95581401  0.35965059  0.61975542
   0.72428183  0.40846544  0.69982621
   0.81084738  0.12968198  0.97856368
   0.57888944  0.10515905  0.91847622
   0.59453489  0.55635770  0.08129207
   0.83734682  0.70481625  0.29704493
   0.65444082  0.80731285  0.05558296
   0.89642109  0.95511236  0.34975412
   0.92578614  0.88962783  0.16849540
   0.67694906  0.88344478  0.24298221
   0.80394781  0.62350207  0.47817236
   0.55992713  0.57234461  0.41016240
   0.60649535  0.58306715  0.59826237
   0.89089148  0.70278714  0.77927227
   0.59265244  0.80783224  0.47757291
   0.93260482  0.95649967  0.85311105
   0.94376271  0.88443349  0.66919694
   0.70296336  0.89796307  0.76880983
   0.79418984  0.63200724  0.95993502
   0.53489721  0.65302822  0.91658277
   0.73169157  0.87895457  0.60493880
   0.65314752  0.86631688  0.46634082
   0.90931200  0.21532098  0.13042092
   0.75327807  0.45192167  0.35597227
   0.32465962  0.07886909  0.68176229
   0.25723477  0.71279223  0.74671249
   0.01594186  1.14694551  0.17687526
   0.21905956  0.99630675 -0.01653862
   0.67035737  0.36971347  0.87015621
   0.89063397  0.38327404  0.58266662
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885179    0.007515   -0.033513
    -0.000000   10.016136    0.268789
    -0.000000   -0.000000   13.797820
   Si   O    H 
    32    64    10
Direct configuration=   274
   0.15572363  0.17619780  0.00494465
   0.40284009  0.08876218  0.37963569
   0.14872266  0.42816496  0.13886331
   0.38900737  0.34777312  0.26063456
   0.14826466  0.14546853  0.49590418
   0.41737299  0.11123689  0.88551631
   0.10943721  0.38588871  0.60896922
   0.34670172  0.36301595  0.75435670
   0.14528490  0.67773516  0.01821327
   0.40555950  0.59094494  0.38121938
   0.08324787  0.90434103  0.14686806
   0.34592973  0.83392952  0.25862298
   0.13900449  0.65801693  0.49162793
   0.38594915  0.61877370  0.88043301
   0.08604292  0.91281466  0.62057113
   0.34146310  0.93500250  0.72962385
   0.64986947  0.14005433  1.01562510
   0.88503542  0.11024733  0.38354761
   0.62523843  0.40275492  0.12064168
   0.90331538  0.30892297  0.20308587
   0.64424803  0.16650736  0.52211752
   0.90520112  0.11137835  0.87918530
   0.59255073  0.42895315  0.62479254
   0.78386777  0.35957833  0.80198072
   0.64605700  0.66291221  0.00049431
   0.88201622  0.59395953  0.37774152
   0.59180949  0.90176605  0.14243420
   0.83368605  0.85752087  0.26772678
   0.64941121  0.65256859  0.49538104
   0.90919098  0.60340215  0.88088306
   0.63675159  0.93503099  0.66140368
   0.86306024  0.86080040  0.77004249
   0.11874155  0.07050424  0.11214792
   0.36284865  0.18290534  0.28957753
   0.11405950  0.33157392  0.05466142
   0.35762049  0.43734899  0.35462179
   0.53816388  0.40061668  0.22320860
   0.29515099  0.39856799  0.17868980
   0.29020039  0.08976673  0.46366197
   0.04855440  0.12722339  0.40850417
   0.10699273  0.06153348  0.59564373
   0.41755569  0.22699591  0.80022159
   0.16013488  0.29918432  0.52405505
   0.37415586  0.46839716  0.84064627
   0.43736765  0.39240738  0.65473167
   0.19776526  0.36117206  0.70935478
   0.31819966  0.17835931 -0.02379478
   0.04957614  0.16754264  0.91460860
   0.12950176  0.58892897  0.11344982
   0.33995912  0.67843648  0.28272535
   0.13494669  0.83571160  0.04567998
   0.41503685  0.93406697  0.34149773
   0.43987671  0.86620655  0.16093267
   0.18702405  0.87795671  0.23708017
   0.29702561  0.65176668  0.46450769
   0.04170779  0.63734316  0.39100787
   0.10491104  0.55006764  0.57426468
   0.35340998  0.70537438  0.78219272
   0.08547165  0.81001793  0.52600502
   0.38513908  0.96054048  0.84535122
   0.48420837  0.87575519  0.66531754
   0.20730116  0.86137035  0.69643871
   0.29225197  0.63939865 -0.02343452
   0.05080072  0.64991986  0.92559194
   0.59181222  0.05282696  0.10804977
   0.85085023  0.20737061  0.29079605
   0.61418480  0.29293789  0.04070281
   0.83448662  0.45676480  0.33820152
   0.04538873  0.38913104  0.22968608
   0.78645273  0.39909039  0.15309716
   0.79132044  0.11773520  0.48084237
   0.54449997  0.12630477  0.43274782
   0.61404641  0.09191198  0.62680184
   0.84031220  0.20212701  0.79417711
   0.62472116  0.32632941  0.54149324
   0.91186649  0.45387210  0.83667756
   0.95733158  0.35948806  0.62019122
   0.72305234  0.40744975  0.70079458
   0.81097869  0.13059798  0.97939268
   0.57631229  0.10523247  0.91723197
   0.59311856  0.55895334  0.08209861
   0.83649520  0.70511521  0.29697097
   0.65312902  0.80619430  0.05553905
   0.89481484  0.95545763  0.34961454
   0.92640956  0.88928980  0.16837790
   0.67544155  0.88307161  0.24318163
   0.80371632  0.62333513  0.47787868
   0.55938037  0.57043518  0.41062804
   0.60661384  0.58342610  0.59798547
   0.89203028  0.70167415  0.77818553
   0.59264863  0.80790249  0.47777167
   0.93155855  0.95769168  0.85365237
   0.94435396  0.88563203  0.66873774
   0.70360326  0.89719782  0.76942910
   0.79121762  0.63209014  0.95847603
   0.53767260  0.65247185  0.91707833
   0.73425301  0.88581326  0.60202776
   0.66757593  0.87489349  0.46328810
   0.90692075  0.21131771  0.12861800
   0.73299691  0.44275412  0.36083064
   0.32318825  0.07586886  0.68919567
   0.25844180  0.71565185  0.74078708
   0.01358852  1.15391801  0.17659596
   0.22480316  0.98779971 -0.01394419
   0.66326092  0.37008049  0.86687981
   0.87740954  0.38009729  0.57882943
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884041    0.010295   -0.033663
    -0.000000   10.018490    0.267405
    -0.000000   -0.000000   13.797114
   Si   O    H 
    32    64    10
Direct configuration=   275
   0.15464594  0.17641279  0.00479443
   0.40376556  0.08782707  0.37923685
   0.14892209  0.42736157  0.13824934
   0.38876882  0.34770669  0.26164409
   0.14728502  0.14625724  0.49536216
   0.41710156  0.11330236  0.88612262
   0.10876017  0.38614300  0.60890175
   0.34416873  0.36320416  0.75484149
   0.14593249  0.67833171  0.01882197
   0.40522261  0.59003942  0.38093594
   0.08478523  0.90551742  0.14628834
   0.34529813  0.83366412  0.25765098
   0.13806829  0.65889838  0.49210034
   0.38563146  0.62030722  0.87975566
   0.08583598  0.91227916  0.62015929
   0.34101492  0.93391396  0.72894169
   0.65010234  0.13938031  1.01562962
   0.88504942  0.10869185  0.38361973
   0.62633307  0.40428277  0.12059264
   0.90330705  0.30807715  0.20248117
   0.64320951  0.16552664  0.52235507
   0.90449542  0.11278307  0.87901126
   0.59253966  0.42919892  0.62588244
   0.78522843  0.35969230  0.80197700
   0.64587030  0.66088197  0.00022302
   0.88211796  0.59232284  0.37770213
   0.59214076  0.90224090  0.14286310
   0.83536750  0.85896132  0.26693106
   0.64872431  0.65240716  0.49507293
   0.90924509  0.60439529  0.87976998
   0.63722858  0.93534426  0.66082504
   0.86243903  0.86045972  0.77015845
   0.11684885  0.07116086  0.11187243
   0.36204198  0.18284461  0.29000308
   0.11313810  0.33172725  0.05403739
   0.35650651  0.43770055  0.35428022
   0.53918932  0.40087900  0.22310752
   0.29316226  0.40036028  0.17829708
   0.29038934  0.08912421  0.46322483
   0.04870739  0.12657008  0.40934103
   0.10728529  0.06252893  0.59674975
   0.41574755  0.22662388  0.80111821
   0.15993918  0.29922514  0.52524848
   0.37669784  0.46971901  0.83885503
   0.43635794  0.39195244  0.65538648
   0.19777011  0.36192642  0.70871202
   0.31840143  0.17836325 -0.02330110
   0.05071082  0.16787089  0.91332850
   0.12854385  0.59054401  0.11463615
   0.33977496  0.67866094  0.28354252
   0.13416713  0.83513297  0.04610268
   0.41449983  0.93495589  0.34221913
   0.43857842  0.86752297  0.16057645
   0.18566452  0.87538425  0.23681689
   0.29743174  0.65027349  0.46281002
   0.04250945  0.63777806  0.39230167
   0.10660281  0.54851734  0.57565122
   0.35254779  0.70624781  0.78163293
   0.08601476  0.80920689  0.52458703
   0.38355189  0.96296560  0.84446420
   0.48455711  0.87717549  0.66539044
   0.20674440  0.86128449  0.69595567
   0.29210859  0.63982895 -0.02450209
   0.05060535  0.64979850  0.92524542
   0.59337413  0.05285916  0.10790870
   0.85276407  0.20591242  0.28866859
   0.61320794  0.29288710  0.04038215
   0.83535858  0.45704051  0.33925499
   0.04289452  0.38866303  0.22948335
   0.78490675  0.39863068  0.15400725
   0.79225384  0.11794178  0.48001110
   0.54337749  0.12687581  0.43178398
   0.61447672  0.09047197  0.62780545
   0.83984799  0.20348895  0.79332973
   0.62621841  0.32711585  0.54111262
   0.91151323  0.45310444  0.83561159
   0.95728655  0.35915894  0.62100627
   0.72170377  0.40696262  0.70119254
   0.81145631  0.13056584  0.98044467
   0.57394908  0.10497977  0.91593712
   0.59155041  0.56113895  0.08314409
   0.83521599  0.70428512  0.29675723
   0.65177916  0.80517009  0.05558702
   0.89329142  0.95541418  0.35001332
   0.92707872  0.88853680  0.16864186
   0.67429219  0.88297243  0.24350014
   0.80260994  0.62313247  0.47718355
   0.55928557  0.56835187  0.41184454
   0.60657770  0.58427323  0.59815972
   0.89305725  0.69978652  0.77701558
   0.59353164  0.80903313  0.47854889
   0.93032616  0.95825934  0.85440478
   0.94521236  0.88752875  0.66815510
   0.70407469  0.89660417  0.77015802
   0.78790471  0.63230463  0.95667991
   0.53992024  0.65218777  0.91731809
   0.74294262  0.88683713  0.59309083
   0.67841360  0.88089640  0.46305190
   0.90647598  0.20693061  0.12258065
   0.72322965  0.43670095  0.36146808
   0.32269629  0.06913103  0.69491080
   0.26565575  0.71569848  0.73901638
   0.01388122  1.15969022  0.17526676
   0.22579397  0.98316905 -0.01170543
   0.66011449  0.36721588  0.86351000
   0.86833428  0.37818553  0.57720247
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883138    0.012931   -0.033328
    -0.000000   10.020475    0.266215
    -0.000000   -0.000000   13.796070
   Si   O    H 
    32    64    10
Direct configuration=   276
   0.15372900  0.17653777  0.00478369
   0.40431699  0.08609793  0.37932618
   0.14858978  0.42717296  0.13776876
   0.38878475  0.34698435  0.26250388
   0.14689014  0.14708290  0.49501960
   0.41656537  0.11538158  0.88660097
   0.10837280  0.38672132  0.60853098
   0.34270228  0.36350759  0.75577255
   0.14646029  0.67920162  0.01937272
   0.40422202  0.58898321  0.38021390
   0.08627426  0.90630229  0.14562443
   0.34496734  0.83376530  0.25683413
   0.13686383  0.65951416  0.49237673
   0.38518386  0.62143028  0.87873685
   0.08531335  0.91166327  0.61963927
   0.34161980  0.93296233  0.72828167
   0.65004321  0.13845559  1.01514926
   0.88537834  0.10717319  0.38336820
   0.62736348  0.40587144  0.12101470
   0.90317383  0.30717022  0.20198054
   0.64165897  0.16504091  0.52203456
   0.90344003  0.11424581  0.87947926
   0.59182866  0.42915337  0.62695240
   0.78658207  0.35974737  0.80184404
   0.64520565  0.65878785 -0.00015588
   0.88219289  0.59082411  0.37777459
   0.59258749  0.90283247  0.14329525
   0.83654726  0.86040616  0.26593213
   0.64736617  0.65251420  0.49487470
   0.90949339  0.60624080  0.87897183
   0.63669217  0.93546525  0.66012378
   0.86218483  0.86059693  0.77028735
   0.11498875  0.07209028  0.11133874
   0.36165802  0.18373704  0.29012805
   0.11238493  0.33107744  0.05281306
   0.35560357  0.43839013  0.35457112
   0.54029921  0.40021218  0.22294196
   0.29159688  0.40149345  0.17744375
   0.29134279  0.08779379  0.46254390
   0.04810344  0.12679253  0.41017348
   0.10738803  0.06314561  0.59786778
   0.41339697  0.22672844  0.80203966
   0.16023866  0.29831002  0.52567872
   0.37938543  0.47069764  0.83702119
   0.43513685  0.39189619  0.65607802
   0.19802201  0.36233625  0.70854983
   0.31823224  0.17766702 -0.02240165
   0.05177200  0.16792823  0.91229447
   0.12703708  0.59200641  0.11605551
   0.34059938  0.67870640  0.28419240
   0.13391356  0.83472590  0.04664120
   0.41380754  0.93570459  0.34310086
   0.43749168  0.86823049  0.16092953
   0.18449703  0.87288334  0.23616093
   0.29825577  0.64910087  0.46112373
   0.04299877  0.63735829  0.39379224
   0.10798479  0.54687056  0.57692874
   0.35139398  0.70816206  0.78127938
   0.08665442  0.80783379  0.52320056
   0.38193240  0.96629341  0.84305592
   0.48448973  0.87869369  0.66591970
   0.20622945  0.86014817  0.69549499
   0.29206937  0.64083342 -0.02578045
   0.05062144  0.64928694  0.92536431
   0.59480229  0.05291020  0.10766076
   0.85431304  0.20463995  0.28739419
   0.61262415  0.29288241  0.04052561
   0.83496866  0.45734979  0.34057496
   0.03996245  0.38884381  0.22910802
   0.78393662  0.39808485  0.15488903
   0.79331354  0.11922723  0.47968379
   0.54233329  0.12728926  0.43106117
   0.61483095  0.08945317  0.62916314
   0.83920346  0.20438887  0.79280006
   0.62767067  0.32750691  0.53979384
   0.91083486  0.45285884  0.83500273
   0.95535966  0.35901330  0.62129842
   0.71983741  0.40646997  0.70162033
   0.81175627  0.13034254  0.98087639
   0.57143549  0.10483150  0.91474962
   0.59045207  0.56218456  0.08401344
   0.83422980  0.70363569  0.29630753
   0.65022036  0.80452309  0.05573228
   0.89209153  0.95564502  0.35044129
   0.92721220  0.88735320  0.16896262
   0.67331784  0.88252381  0.24353073
   0.80177549  0.62360469  0.47718098
   0.55947789  0.56623698  0.41291738
   0.60653198  0.58579994  0.59839079
   0.89459821  0.69751760  0.77683904
   0.59547156  0.81048611  0.47930018
   0.92777465  0.95852604  0.85446023
   0.94613430  0.88963226  0.66818881
   0.70397427  0.89608094  0.77112261
   0.78566021  0.63230996  0.95429553
   0.54070886  0.65163630  0.91742919
   0.74495091  0.88891701  0.58380009
   0.67740207  0.87427735  0.46543480
   0.90760520  0.20697521  0.11809234
   0.72755938  0.43253177  0.35952531
   0.32122014  0.06656146  0.69701648
   0.27573566  0.71069656  0.74176380
   0.01242945  1.16151243  0.17099835
   0.22254195  0.98139491 -0.00816557
   0.65961166  0.36683047  0.86049346
   0.87382922  0.37624178  0.57971288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882489    0.015794   -0.032767
    -0.000000   10.022157    0.265371
    -0.000000   -0.000000   13.795298
   Si   O    H 
    32    64    10
Direct configuration=   277
   0.15297300  0.17715461  0.00432174
   0.40489059  0.08415193  0.37986428
   0.14773355  0.42777596  0.13742543
   0.38888325  0.34666961  0.26343291
   0.14629652  0.14781378  0.49521149
   0.41573902  0.11790347  0.88713002
   0.10808434  0.38708861  0.60882886
   0.34180918  0.36366008  0.75652346
   0.14654151  0.67995896  0.01911396
   0.40336073  0.58742477  0.37914997
   0.08800821  0.90749496  0.14530697
   0.34368928  0.83479472  0.25571952
   0.13543144  0.66081078  0.49248144
   0.38533179  0.62203324  0.87774400
   0.08464247  0.91039867  0.61909047
   0.34194958  0.93186973  0.72731829
   0.65020095  0.13768336  1.01441270
   0.88597392  0.10614446  0.38290700
   0.62821283  0.40741043  0.12164743
   0.90306679  0.30659414  0.20160148
   0.63969666  0.16447784  0.52185470
   0.90272247  0.11577411  0.87996118
   0.59079690  0.42925230  0.62794115
   0.78758968  0.35941529  0.80149383
   0.64465858  0.65643468  0.00009960
   0.88268176  0.59035776  0.37812935
   0.59326808  0.90281611  0.14375153
   0.83711084  0.86141903  0.26488402
   0.64597444  0.65242103  0.49443479
   0.90915535  0.60847297  0.87790563
   0.63573278  0.93564450  0.65935425
   0.86228900  0.86058880  0.77079409
   0.11246587  0.07311773  0.11044496
   0.36084236  0.18543361  0.28996331
   0.11173030  0.33036183  0.05206612
   0.35545434  0.43855675  0.35572670
   0.54197938  0.39990084  0.22286287
   0.29030657  0.40207633  0.17641538
   0.29187133  0.08689379  0.46205751
   0.04715748  0.12784515  0.41070398
   0.10735415  0.06504551  0.59903510
   0.41141849  0.22757363  0.80235673
   0.16100175  0.29661143  0.52526524
   0.38166754  0.47138175  0.83550670
   0.43473193  0.39138809  0.65716284
   0.19705228  0.36290162  0.70820198
   0.31802947  0.17677788 -0.02202385
   0.05312735  0.16729051  0.91104298
   0.12531242  0.59345002  0.11772436
   0.34144798  0.67843290  0.28513726
   0.13380065  0.83442120  0.04678208
   0.41280847  0.93604121  0.34438447
   0.43650962  0.86884699  0.16069189
   0.18291580  0.87107232  0.23566327
   0.29888031  0.64831979  0.45977934
   0.04349381  0.63623816  0.39543907
   0.10957547  0.54526330  0.57809378
   0.35096831  0.70946849  0.78144581
   0.08716881  0.80677409  0.52233887
   0.38084141  0.96915834  0.84259001
   0.48412699  0.88095695  0.66646843
   0.20464003  0.85852672  0.69503711
   0.29191666  0.64237580 -0.02707298
   0.05081999  0.64877350  0.92536087
   0.59613369  0.05303154  0.10700053
   0.85515483  0.20315504  0.28655314
   0.61188524  0.29242124  0.04122869
   0.83404939  0.45635712  0.34141852
   0.03694628  0.38880487  0.22865808
   0.78366131  0.39711782  0.15551702
   0.79386079  0.12048954  0.47950511
   0.54225488  0.12798610  0.43124429
   0.61506268  0.08911471  0.63067839
   0.83898051  0.20519840  0.79223732
   0.62951224  0.32734270  0.53885305
   0.91056309  0.45264961  0.83487749
   0.95334314  0.35818242  0.62127672
   0.71752126  0.40580932  0.70174181
   0.81132264  0.13009589  0.98118403
   0.56928717  0.10454604  0.91438922
   0.58838818  0.56297414  0.08562370
   0.83325834  0.70265294  0.29598491
   0.64926344  0.80359734  0.05679369
   0.89092613  0.95553074  0.34998291
   0.92816520  0.88592689  0.16943087
   0.67289010  0.88201748  0.24394527
   0.80135757  0.62429530  0.47723597
   0.56001868  0.56412408  0.41401849
   0.60632827  0.58773660  0.59859132
   0.89613359  0.69494995  0.77723476
   0.59755001  0.81156791  0.48044710
   0.92525358  0.95877508  0.85471943
   0.94649427  0.89135096  0.66867339
   0.70387369  0.89514025  0.77207774
   0.78474607  0.63208545  0.95215465
   0.54029412  0.65070591  0.91752034
   0.74205475  0.89116622  0.58198331
   0.66806630  0.85992329  0.46685256
   0.91085565  0.21120115  0.11698363
   0.74489259  0.43446355  0.35542916
   0.31905381  0.07011072  0.69727028
   0.27711551  0.70328622  0.73982290
   0.01610872  1.16448937  0.16612295
   0.21485044  0.98316442 -0.00526518
   0.66513632  0.36824083  0.85902931
   0.88431061  0.37491484  0.58371491
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882585    0.018448   -0.031802
    -0.000000   10.023752    0.264814
    -0.000000   -0.000000   13.793938
   Si   O    H 
    32    64    10
Direct configuration=   278
   0.15186000  0.17838525  0.00398849
   0.40493309  0.08243862  0.38075543
   0.14621580  0.42873847  0.13710598
   0.38901739  0.34658153  0.26392420
   0.14549003  0.14767955  0.49573984
   0.41462654  0.11979072  0.88791514
   0.10769316  0.38789724  0.60893354
   0.34197134  0.36327802  0.75709821
   0.14666537  0.68029949  0.01844557
   0.40175554  0.58599079  0.37822729
   0.08990750  0.90844353  0.14483571
   0.34263820  0.83658996  0.25536257
   0.13447020  0.66218080  0.49226519
   0.38561241  0.62286923  0.87675414
   0.08415466  0.90891611  0.61800417
   0.34246270  0.93195594  0.72636538
   0.65042671  0.13665539  1.01382113
   0.88689184  0.10601319  0.38279060
   0.62919781  0.40891568  0.12251126
   0.90283071  0.30598513  0.20080462
   0.63774141  0.16458229  0.52142262
   0.90192781  0.11717265  0.88054321
   0.58987090  0.42908218  0.62860050
   0.78828967  0.35893977  0.80111057
   0.64376734  0.65489377  0.00083843
   0.88370142  0.59030602  0.37846884
   0.59434006  0.90220993  0.14435118
   0.83808316  0.86187252  0.26400139
   0.64456282  0.65212190  0.49384895
   0.90923200  0.61070074  0.87690552
   0.63511714  0.93600991  0.65881807
   0.86308833  0.86073838  0.77101652
   0.11071408  0.07395943  0.10952229
   0.35961229  0.18614435  0.28946401
   0.11137771  0.32964791  0.05075595
   0.35534356  0.43742378  0.35666697
   0.54330185  0.39896315  0.22245881
   0.28969925  0.40150250  0.17600437
   0.29203270  0.08653026  0.46156190
   0.04545445  0.12989701  0.41075436
   0.10800804  0.06627435  0.59985638
   0.40902519  0.22887384  0.80245641
   0.16161178  0.29552677  0.52475678
   0.38396461  0.47205015  0.83481200
   0.43495328  0.39187740  0.65798303
   0.19604701  0.36330861  0.70762789
   0.31748692  0.17588997 -0.02204420
   0.05434965  0.16642834  0.91025935
   0.12421698  0.59521828  0.11935526
   0.34275348  0.67721586  0.28562780
   0.13346304  0.83371386  0.04644493
   0.41159312  0.93523478  0.34609113
   0.43473203  0.86959798  0.16057265
   0.18210703  0.86945018  0.23551172
   0.29883117  0.64767656  0.45904354
   0.04323671  0.63535918  0.39705679
   0.11184207  0.54390509  0.57884354
   0.35171962  0.71119805  0.78188892
   0.08773617  0.80627325  0.52147131
   0.37923401  0.97152151  0.84263975
   0.48335266  0.88259780  0.66659909
   0.20274549  0.85723448  0.69445423
   0.29133626  0.64397222 -0.02832395
   0.05030727  0.64832366  0.92533446
   0.59701361  0.05344642  0.10682665
   0.85529905  0.20085994  0.28630188
   0.61080385  0.29147468  0.04167176
   0.83318804  0.45458066  0.34211111
   0.03330975  0.38864035  0.22750145
   0.78429250  0.39661432  0.15592936
   0.79428704  0.12145677  0.47953772
   0.54328563  0.12896919  0.43127862
   0.61544997  0.09009390  0.63196733
   0.83938325  0.20582702  0.79178331
   0.63158732  0.32655077  0.53819324
   0.91062959  0.45262467  0.83459716
   0.95231874  0.35691596  0.62177204
   0.71554225  0.40499796  0.70168128
   0.81083003  0.12888115  0.98188943
   0.56751291  0.10431776  0.91460462
   0.58564751  0.56334837  0.08734911
   0.83273853  0.70234315  0.29615189
   0.64897465  0.80253719  0.05780321
   0.88953217  0.95468291  0.34976234
   0.92863135  0.88501159  0.16957044
   0.67233924  0.88138114  0.24327865
   0.80158129  0.62460769  0.47781590
   0.56057194  0.56196061  0.41475668
   0.60664686  0.58910280  0.59869348
   0.89798897  0.69400471  0.77709147
   0.59889030  0.81131019  0.48152200
   0.92262923  0.95951338  0.85508654
   0.94646307  0.89294071  0.66915850
   0.70354278  0.89457896  0.77256677
   0.78427855  0.63189034  0.95012173
   0.53910801  0.64959719  0.91707097
   0.73342098  0.89131321  0.58588586
   0.67621196  0.86297433  0.46275182
   0.91455403  0.21890409  0.11882063
   0.74742433  0.43350169  0.35413477
   0.31702991  0.07533404  0.69304348
   0.26820724  0.69522245  0.73768879
   0.01929850  1.16463729  0.16002153
   0.20617751  0.98650590 -0.00288799
   0.67237615  0.36999115  0.86015273
   0.87416619  0.38099345  0.57991116
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882953    0.020656   -0.030947
    -0.000000   10.024760    0.263933
    -0.000000   -0.000000   13.793156
   Si   O    H 
    32    64    10
Direct configuration=   279
   0.15149653  0.17898149  0.00385266
   0.40501005  0.08077257  0.38144493
   0.14522705  0.42956344  0.13696114
   0.38919583  0.34622835  0.26433679
   0.14508112  0.14718962  0.49653934
   0.41300072  0.12133363  0.88825104
   0.10709305  0.38817295  0.60931025
   0.34226046  0.36244852  0.75743058
   0.14650134  0.68050051  0.01803451
   0.40002235  0.58507785  0.37769390
   0.09140792  0.90915834  0.14424177
   0.34187087  0.83824528  0.25505308
   0.13344950  0.66354374  0.49237566
   0.38619602  0.62331551  0.87598559
   0.08389107  0.90717774  0.61683122
   0.34323253  0.93297647  0.72585485
   0.65084547  0.13592009  1.01284563
   0.88830472  0.10611031  0.38263044
   0.62989722  0.41004362  0.12350766
   0.90305740  0.30519175  0.20012021
   0.63626046  0.16420410  0.52131077
   0.90096089  0.11775058  0.88134834
   0.58905512  0.42884399  0.62923384
   0.78800641  0.35834734  0.80055921
   0.64251674  0.65400435  0.00169385
   0.88509894  0.59107439  0.37866451
   0.59499044  0.90174079  0.14462394
   0.83861878  0.86154618  0.26297161
   0.64326587  0.65192741  0.49329249
   0.90901258  0.61231368  0.87606032
   0.63444282  0.93615218  0.65831197
   0.86354634  0.86045930  0.77134978
   0.10955395  0.07528225  0.10923303
   0.35895477  0.18720306  0.28912350
   0.11111864  0.32891250  0.04951180
   0.35417513  0.43558157  0.35689397
   0.54380662  0.39736878  0.22302872
   0.29002667  0.40040777  0.17597435
   0.29203881  0.08578332  0.46143776
   0.04426054  0.13184000  0.41021432
   0.10864076  0.06806061  0.60057673
   0.40651919  0.23033058  0.80209218
   0.16232893  0.29526564  0.52482573
   0.38531130  0.47233950  0.83447984
   0.43596340  0.39213034  0.65911556
   0.19521752  0.36329643  0.70704887
   0.31710777  0.17507292 -0.02260936
   0.05576084  0.16596254  0.90976034
   0.12363225  0.59664980  0.12075207
   0.34427488  0.67578837  0.28607348
   0.13212305  0.83262849  0.04603212
   0.41007934  0.93483478  0.34679852
   0.43329276  0.86988234  0.16144737
   0.18169713  0.86851080  0.23525616
   0.29878379  0.64779128  0.45870917
   0.04293801  0.63371964  0.39849489
   0.11381029  0.54278067  0.57936184
   0.35199338  0.71396163  0.78256094
   0.08875643  0.80667448  0.52123698
   0.37794490  0.97326295  0.84240107
   0.48153948  0.88450786  0.66666874
   0.20141170  0.85694705  0.69408124
   0.29106696  0.64541244 -0.02893696
   0.04949677  0.64749143  0.92573649
   0.59827628  0.05369824  0.10623473
   0.85561198  0.19822588  0.28625718
   0.60998897  0.29022871  0.04170286
   0.83298711  0.45272575  0.34277667
   0.02991015  0.38938642  0.22646731
   0.78545017  0.39737251  0.15604534
   0.79435150  0.12270265  0.47935268
   0.54473386  0.12960129  0.43132978
   0.61528375  0.09193739  0.63272955
   0.84012438  0.20671094  0.79152786
   0.63366917  0.32630040  0.53734560
   0.91055029  0.45241864  0.83486243
   0.95149618  0.35615177  0.62210730
   0.71312674  0.40426880  0.70184479
   0.80960701  0.12789696  0.98283027
   0.56623704  0.10363547  0.91452863
   0.58354978  0.56211054  0.08912186
   0.83217064  0.70174236  0.29651033
   0.64896339  0.80203155  0.05887675
   0.88855342  0.95374494  0.35040720
   0.92878427  0.88433385  0.17004114
   0.67153030  0.88069497  0.24275943
   0.80211827  0.62406778  0.47812093
   0.56166452  0.56025325  0.41492049
   0.60643813  0.59020874  0.59896417
   0.89922254  0.69458066  0.77726583
   0.59982737  0.80960243  0.48225634
   0.91955351  0.96020014  0.85544962
   0.94649533  0.89427908  0.66952297
   0.70295633  0.89349644  0.77212551
   0.78399744  0.63128613  0.94875846
   0.53747291  0.64884586  0.91586148
   0.72296850  0.89076014  0.59134899
   0.68513090  0.86429542  0.45652337
   0.92128780  0.22005763  0.11891786
   0.73123467  0.42855753  0.35438221
   0.31389826  0.07567776  0.68856236
   0.26382948  0.69121406  0.73785160
   0.02388411  1.16011839  0.15423222
   0.19870208  0.99384449 -0.00209929
   0.67464533  0.36672066  0.86528316
   0.86810009  0.39095167  0.57859978
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882845    0.022343   -0.030510
    -0.000000   10.025698    0.262808
    -0.000000   -0.000000   13.792260
   Si   O    H 
    32    64    10
Direct configuration=   280
   0.15134400  0.17883562  0.00343981
   0.40513535  0.07978790  0.38157647
   0.14433208  0.43088163  0.13758903
   0.38949179  0.34608007  0.26482330
   0.14473718  0.14591499  0.49749432
   0.41144009  0.12253486  0.88895745
   0.10636151  0.38823773  0.60990626
   0.34256165  0.36146545  0.75729494
   0.14622998  0.68081154  0.01733674
   0.39873324  0.58487017  0.37704300
   0.09232205  0.90958047  0.14381242
   0.34206326  0.83930112  0.25495354
   0.13324929  0.66408719  0.49269136
   0.38616771  0.62266263  0.87528719
   0.08369364  0.90566889  0.61602669
   0.34429779  0.93416930  0.72545075
   0.65125482  0.13547910  1.01252707
   0.88954999  0.10624889  0.38275732
   0.63041740  0.41142961  0.12423190
   0.90398369  0.30401577  0.19984270
   0.63459125  0.16439586  0.52092268
   0.90030126  0.11860769  0.88190880
   0.58803664  0.42813672  0.62957006
   0.78731148  0.35799538  0.79983073
   0.64111047  0.65298981  0.00261723
   0.88643518  0.59191378  0.37838471
   0.59533242  0.90098594  0.14480406
   0.83922788  0.86086914  0.26206988
   0.64232238  0.65175383  0.49333898
   0.90971454  0.61360253  0.87537607
   0.63398422  0.93643770  0.65832593
   0.86339535  0.86062925  0.77167437
   0.10821526  0.07716488  0.10973266
   0.35876405  0.18834806  0.28846830
   0.11052020  0.32773533  0.04834440
   0.35320231  0.43383491  0.35655411
   0.54349110  0.39501520  0.22434627
   0.29026800  0.39950692  0.17595766
   0.29107724  0.08542501  0.46142133
   0.04271174  0.13323036  0.40954285
   0.10862306  0.07006909  0.60117790
   0.40422704  0.23221383  0.80203681
   0.16337113  0.29516729  0.52417244
   0.38598188  0.47335926  0.83441535
   0.43714773  0.39213301  0.66051762
   0.19451664  0.36376342  0.70668325
   0.31656811  0.17388800 -0.02286903
   0.05674462  0.16580590  0.90959697
   0.12228112  0.59730966  0.12197410
   0.34605895  0.67445020  0.28622625
   0.13002992  0.83086760  0.04606570
   0.40811641  0.93383279  0.34702074
   0.43220204  0.86948612  0.16265195
   0.18243223  0.86874841  0.23484644
   0.29818156  0.64878993  0.45775350
   0.04217715  0.63156874  0.39986334
   0.11551270  0.54197941  0.57956290
   0.35150513  0.71585427  0.78336575
   0.09013363  0.80786426  0.52133789
   0.37530951  0.97412974  0.84196265
   0.47914840  0.88651396  0.66679838
   0.20020509  0.85681720  0.69326245
   0.29050126  0.64686532 -0.02935322
   0.04816892  0.64696420  0.92587415
   0.59946990  0.05356443  0.10526969
   0.85561660  0.19602331  0.28697450
   0.60936060  0.28938606  0.04249457
   0.83205781  0.44940503  0.34368049
   0.02757822  0.39019175  0.22547026
   0.78618056  0.39783152  0.15661973
   0.79494841  0.12374250  0.47917124
   0.54582164  0.13054876  0.43102219
   0.61515414  0.09378169  0.63267057
   0.84056468  0.20706697  0.79182454
   0.63498258  0.32616648  0.53638127
   0.91000842  0.45277104  0.83526209
   0.95009101  0.35630725  0.62240318
   0.71070864  0.40293284  0.70212274
   0.80881256  0.12726987  0.98305132
   0.56600759  0.10335382  0.91458934
   0.58199156  0.56062210  0.09081394
   0.83171759  0.70100091  0.29677122
   0.64875221  0.80121759  0.05967159
   0.88898880  0.95302434  0.35086686
   0.92958926  0.88370787  0.17025023
   0.67141654  0.87984914  0.24229060
   0.80358106  0.62389138  0.47828068
   0.56217900  0.55887674  0.41463711
   0.60576303  0.59101966  0.59902799
   0.90040416  0.69613733  0.77710272
   0.60169294  0.80922667  0.48291721
   0.91732644  0.96090703  0.85610282
   0.94495269  0.89454412  0.67035191
   0.70206576  0.89174087  0.77135208
   0.78334321  0.63032422  0.94768451
   0.53575723  0.64855515  0.91434899
   0.71884173  0.88662599  0.59279323
   0.68327835  0.85850411  0.45333688
   0.92877055  0.21680217  0.11706548
   0.72291582  0.42900845  0.35244287
   0.30621670  0.06660233  0.68363807
   0.26779702  0.69086172  0.74553013
   0.02894804  1.15104709  0.14957761
   0.18862943  1.00634918 -0.00515994
   0.67466419  0.36247408  0.87303260
   0.87647367  0.39633313  0.58246674
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881996    0.024095   -0.029801
    -0.000000   10.026692    0.261732
    -0.000000   -0.000000   13.791029
   Si   O    H 
    32    64    10
Direct configuration=   281
   0.15174576  0.17848723  0.00280586
   0.40534786  0.07973728  0.38143969
   0.14256325  0.43232559  0.13771420
   0.38994619  0.34490555  0.26502693
   0.14487844  0.14507386  0.49806900
   0.41031044  0.12400413  0.88965199
   0.10623787  0.38794856  0.61061632
   0.34221995  0.36088975  0.75695463
   0.14588848  0.68047453  0.01713897
   0.39732709  0.58481403  0.37696564
   0.09347448  0.91065745  0.14337408
   0.34232112  0.84055436  0.25538906
   0.13337181  0.66396218  0.49280994
   0.38641505  0.62174978  0.87480687
   0.08370548  0.90492589  0.61516047
   0.34488588  0.93552003  0.72549551
   0.65111771  0.13562127  1.01222966
   0.89051227  0.10696253  0.38280373
   0.63028003  0.41251872  0.12432993
   0.90483069  0.30229956  0.19960680
   0.63360674  0.16467178  0.52083083
   0.90017060  0.11936291  0.88248635
   0.58753097  0.42795337  0.62966489
   0.78690109  0.35784554  0.79942161
   0.63964772  0.65355650  0.00355711
   0.88719761  0.59295936  0.37801736
   0.59545372  0.89991504  0.14507277
   0.83898017  0.85998821  0.26137063
   0.64116783  0.65140191  0.49315209
   0.90992411  0.61410762  0.87487320
   0.63317378  0.93614289  0.65929005
   0.86331064  0.86091992  0.77179350
   0.10676235  0.07886786  0.11031681
   0.35965462  0.18892177  0.28819670
   0.11007114  0.32761029  0.04739228
   0.35195963  0.43195917  0.35611148
   0.54367064  0.39212692  0.22576993
   0.29122725  0.39907600  0.17565928
   0.28984710  0.08488603  0.46153437
   0.04080451  0.13422822  0.40936543
   0.10766238  0.07138999  0.60145377
   0.40330524  0.23412523  0.80206256
   0.16488612  0.29543386  0.52379206
   0.38648418  0.47422223  0.83469645
   0.43856088  0.39227393  0.66141540
   0.19392133  0.36390188  0.70680326
   0.31593711  0.17299127 -0.02330813
   0.05750705  0.16553441  0.90927930
   0.12103786  0.59824102  0.12330422
   0.34866014  0.67309524  0.28561296
   0.12760742  0.82958735  0.04612087
   0.40656690  0.93240443  0.34664381
   0.43148158  0.86924946  0.16361121
   0.18341147  0.86935003  0.23430116
   0.29755588  0.64941096  0.45693718
   0.04103823  0.62981472  0.40128310
   0.11782715  0.54243181  0.57937226
   0.35168074  0.71698520  0.78432220
   0.09161977  0.81007267  0.52165543
   0.37281668  0.97444506  0.84108572
   0.47667248  0.88830412  0.66659101
   0.19934915  0.85746019  0.69257688
   0.29008615  0.64780990 -0.02937355
   0.04647959  0.64687686  0.92667787
   0.60022770  0.05280782  0.10462269
   0.85612274  0.19431569  0.28694224
   0.60922562  0.28908433  0.04343109
   0.82979928  0.44554453  0.34444260
   0.02590351  0.39182728  0.22528944
   0.78715302  0.39756677  0.15697020
   0.79542099  0.12480842  0.47928154
   0.54559574  0.13182781  0.43109835
   0.61560251  0.09516810  0.63164808
   0.84117009  0.20739393  0.79167980
   0.63604174  0.32635966  0.53552660
   0.90947118  0.45378015  0.83552798
   0.94865661  0.35687976  0.62231789
   0.70812121  0.40197008  0.70245772
   0.80839140  0.12695407  0.98275771
   0.56684550  0.10240680  0.91478281
   0.58037710  0.55818363  0.09235882
   0.83214484  0.70066869  0.29766920
   0.64896550  0.80044705  0.06069822
   0.88951019  0.95236269  0.35146250
   0.93116733  0.88291698  0.16962036
   0.67195254  0.87925693  0.24162050
   0.80456573  0.62419309  0.47845610
   0.56240166  0.55763578  0.41424566
   0.60530624  0.59179820  0.59934526
   0.90067501  0.69774552  0.77741855
   0.60325900  0.80955717  0.48323985
   0.91506066  0.96194623  0.85640153
   0.94383196  0.89549480  0.67087885
   0.70105341  0.88957248  0.77067721
   0.78317394  0.62916634  0.94741552
   0.53317195  0.64817460  0.91335684
   0.71995454  0.87803831  0.58718245
   0.67640664  0.85370342  0.45163993
   0.93026915  0.21060893  0.11702308
   0.72816506  0.43293813  0.35020383
   0.30249659  0.05679951  0.67829743
   0.27400770  0.69198928  0.75479752
   0.03510808  1.13935991  0.14897200
   0.17764025  1.02244085 -0.00989290
   0.67834626  0.35783260  0.87882842
   0.88673900  0.39910501  0.58512476
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881278    0.025493   -0.029149
    -0.000000   10.028019    0.260536
    -0.000000   -0.000000   13.789409
   Si   O    H 
    32    64    10
Direct configuration=   282
   0.15206106  0.17769538  0.00212295
   0.40547032  0.07985656  0.38152562
   0.14094770  0.43355994  0.13795300
   0.39039442  0.34358904  0.26484955
   0.14522936  0.14406836  0.49842961
   0.40927292  0.12523106  0.89028178
   0.10630168  0.38776107  0.61136726
   0.34213943  0.36002654  0.75629864
   0.14554150  0.67990643  0.01707864
   0.39634676  0.58457665  0.37680022
   0.09417466  0.91134172  0.14300844
   0.34251717  0.84130877  0.25618969
   0.13413170  0.66348183  0.49304304
   0.38683483  0.62147221  0.87447366
   0.08428923  0.90419375  0.61412493
   0.34568550  0.93699518  0.72599086
   0.65064699  0.13554730  1.01199725
   0.89109217  0.10766987  0.38299463
   0.63020122  0.41316999  0.12425066
   0.90480671  0.30054099  0.19953757
   0.63283654  0.16543234  0.52060100
   0.90058222  0.11986860  0.88323642
   0.58689626  0.42737291  0.62906869
   0.78638578  0.35834266  0.79926552
   0.63808877  0.65483566  0.00418860
   0.88771793  0.59423451  0.37758285
   0.59484648  0.89906159  0.14471588
   0.83820700  0.85946892  0.26113424
   0.63995147  0.65122816  0.49304780
   0.90992917  0.61326699  0.87438984
   0.63237771  0.93629483  0.66020954
   0.86339449  0.86146700  0.77175527
   0.10591326  0.07971884  0.11137443
   0.36064983  0.18940675  0.28859062
   0.11039003  0.32704574  0.04640833
   0.35146500  0.43124527  0.35589609
   0.54380611  0.38897747  0.22783289
   0.29242378  0.39846370  0.17483049
   0.28895016  0.08446165  0.46215422
   0.03863284  0.13544424  0.40896353
   0.10711552  0.07247669  0.60185336
   0.40314995  0.23478191  0.80248651
   0.16619192  0.29651042  0.52334611
   0.38654744  0.47448844  0.83496862
   0.44034850  0.39352544  0.66219238
   0.19363583  0.36384008  0.70692110
   0.31646349  0.17255250 -0.02357128
   0.05827524  0.16586372  0.90944075
   0.12105801  0.59922335  0.12430286
   0.35113633  0.67287532  0.28419167
   0.12589957  0.82870319  0.04713527
   0.40456971  0.93083509  0.34581527
   0.43138053  0.86965841  0.16457505
   0.18420153  0.86982395  0.23425704
   0.29652915  0.65058052  0.45577704
   0.04003996  0.62836791  0.40220414
   0.12048573  0.54248602  0.57941287
   0.35249451  0.71812160  0.78522915
   0.09228884  0.81225574  0.52226377
   0.37027746  0.97375493  0.84030244
   0.47464292  0.89037350  0.66717905
   0.19846821  0.85783611  0.69261524
   0.29017517  0.64862030 -0.02970401
   0.04461549  0.64600620  0.92754441
   0.60099311  0.05194389  0.10417022
   0.85580854  0.19402030  0.28691256
   0.60905655  0.28942074  0.04367515
   0.82592421  0.44154377  0.34552388
   0.02568534  0.39401155  0.22480929
   0.78790243  0.39810234  0.15735582
   0.79608960  0.12650761  0.47914428
   0.54504832  0.13258242  0.43108376
   0.61620194  0.09683661  0.63049857
   0.84124236  0.20797139  0.79205338
   0.63686569  0.32691550  0.53519129
   0.90882190  0.45498965  0.83530068
   0.94812957  0.35596777  0.62315028
   0.70595536  0.40160960  0.70262613
   0.80905529  0.12640676  0.98240252
   0.56853795  0.10111888  0.91503012
   0.57866939  0.55589599  0.09317740
   0.83279831  0.70064957  0.29791957
   0.64851240  0.79941327  0.06123976
   0.88930719  0.95158934  0.35212539
   0.93330598  0.88311815  0.16930448
   0.67340427  0.87826815  0.24135087
   0.80616554  0.62382845  0.47863883
   0.56187118  0.55713945  0.41358067
   0.60507193  0.59190046  0.59940043
   0.90083275  0.69971839  0.77730606
   0.60484521  0.80875610  0.48351905
   0.91332019  0.96250818  0.85625292
   0.94236887  0.89697062  0.67112301
   0.69952950  0.88795913  0.77002479
   0.78301469  0.62768598  0.94688088
   0.53157711  0.64764143  0.91223460
   0.72141492  0.87312252  0.58324821
   0.67241054  0.85740782  0.45084328
   0.92875151  0.20616961  0.11820964
   0.73764104  0.43586695  0.34789161
   0.30257341  0.05303218  0.67361808
   0.26726280  0.69024606  0.75767313
   0.03848367  1.13461346  0.15164598
   0.17078406  1.03368303 -0.01725130
   0.68473319  0.35424122  0.88215523
   0.88424386  0.40547628  0.57866755
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880439    0.027366   -0.028888
    -0.000000   10.029436    0.259028
    -0.000000   -0.000000   13.787962
   Si   O    H 
    32    64    10
Direct configuration=   283
   0.15272587  0.17662457  0.00159913
   0.40568884  0.08044106  0.38126720
   0.13899931  0.43453397  0.13795246
   0.39083152  0.34229983  0.26492671
   0.14548988  0.14319848  0.49858319
   0.40815782  0.12483818  0.89081800
   0.10603184  0.38744430  0.61190297
   0.34278966  0.35958150  0.75555367
   0.14506779  0.67941395  0.01718463
   0.39541661  0.58407217  0.37673407
   0.09488440  0.91253352  0.14331065
   0.34296237  0.84172200  0.25682656
   0.13451070  0.66259883  0.49360398
   0.38692940  0.62072712  0.87465701
   0.08414789  0.90390274  0.61287483
   0.34592322  0.93886518  0.72623534
   0.65011355  0.13582501  1.01177480
   0.89089843  0.10834550  0.38264978
   0.62975993  0.41291845  0.12460917
   0.90459398  0.29843867  0.19922924
   0.63245836  0.16620630  0.52061758
   0.90115046  0.11994329  0.88386223
   0.58672163  0.42781840  0.62843419
   0.78580647  0.35916392  0.79956250
   0.63695036  0.65557208  0.00473995
   0.88776074  0.59508986  0.37711939
   0.59361701  0.89814826  0.14379580
   0.83703629  0.85909868  0.26114083
   0.63916589  0.65112898  0.49286439
   0.90984360  0.61232902  0.87382261
   0.63133099  0.93655149  0.66130126
   0.86358215  0.86218505  0.77205188
   0.10531094  0.07931327  0.11204553
   0.36219159  0.18841540  0.28860401
   0.11088901  0.32688317  0.04585202
   0.35107971  0.43044776  0.35612361
   0.54356178  0.38514567  0.22961918
   0.29305633  0.39825791  0.17363987
   0.28811050  0.08451137  0.46204819
   0.03657575  0.13630740  0.40896504
   0.10630744  0.07329466  0.60188765
   0.40255612  0.23433155  0.80271509
   0.16777719  0.29802544  0.52292191
   0.38548374  0.47401295  0.83493162
   0.44124453  0.39474690  0.66300221
   0.19277442  0.36328343  0.70783055
   0.31762907  0.17213631 -0.02338497
   0.05750667  0.16678894  0.90921437
   0.12137053  0.59960910  0.12495070
   0.35411912  0.67390987  0.28264404
   0.12404180  0.82793659  0.04800801
   0.40285937  0.92896907  0.34477978
   0.43130748  0.86999652  0.16481733
   0.18533643  0.86994953  0.23416127
   0.29511906  0.65213363  0.45499181
   0.03934160  0.62759556  0.40315246
   0.12331232  0.54309848  0.58004997
   0.35297605  0.71958420  0.78603716
   0.09268177  0.81465804  0.52266124
   0.36876299  0.97388726  0.83991682
   0.47296448  0.89226427  0.66778703
   0.19842328  0.85914025  0.69299485
   0.29056773  0.64986408 -0.02965329
   0.04356527  0.64605450  0.92860680
   0.60191161  0.05100044  0.10413305
   0.85567393  0.19368183  0.28724919
   0.60982439  0.28971495  0.04428090
   0.82367628  0.43830294  0.34689280
   0.02575816  0.39538632  0.22342631
   0.78806170  0.39932743  0.15766937
   0.79569640  0.12836437  0.47928703
   0.54319830  0.13264746  0.43060422
   0.61692110  0.09885154  0.62961238
   0.84177191  0.20862049  0.79249331
   0.63772253  0.32707698  0.53515533
   0.90839725  0.45620914  0.83508184
   0.94792490  0.35473240  0.62382696
   0.70501151  0.40177560  0.70367032
   0.80970310  0.12511454  0.98213065
   0.56999123  0.10032138  0.91569163
   0.57683032  0.55344962  0.09373555
   0.83389352  0.70112049  0.29821464
   0.64777436  0.79793191  0.06175120
   0.88822872  0.95037542  0.35298367
   0.93419327  0.88310359  0.16881822
   0.67533454  0.87713703  0.24138136
   0.80692813  0.62377449  0.47913051
   0.56094526  0.55693357  0.41276819
   0.60526663  0.59191399  0.59940464
   0.90030106  0.70205306  0.77732447
   0.60558559  0.80817141  0.48333413
   0.91130666  0.96281678  0.85626421
   0.94108660  0.89832196  0.67180586
   0.69817693  0.88615003  0.76915163
   0.78263228  0.62742912  0.94667540
   0.53057260  0.64714197  0.91172153
   0.72138915  0.87226223  0.58511797
   0.67154725  0.87214814  0.44971868
   0.92384425  0.20372813  0.11970688
   0.72295900  0.43749162  0.34825035
   0.30527266  0.05838171  0.67017128
   0.25781026  0.68982945  0.75888073
   0.03277957  1.13797639  0.15871126
   0.16724267  1.03841592 -0.02789217
   0.69002663  0.35316456  0.88479489
   0.88448057  0.40529690  0.57377082
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879444    0.029181   -0.028430
    -0.000000   10.030960    0.256688
    -0.000000   -0.000000   13.786158
   Si   O    H 
    32    64    10
Direct configuration=   284
   0.15375164  0.17552182  0.00154000
   0.40606173  0.08133643  0.38055142
   0.13705992  0.43517224  0.13837559
   0.39145341  0.34075881  0.26498226
   0.14653830  0.14285483  0.49843519
   0.40687088  0.12401108  0.89118918
   0.10631831  0.38752424  0.61182810
   0.34310711  0.36009136  0.75441372
   0.14449175  0.67823338  0.01774782
   0.39464904  0.58376724  0.37664041
   0.09566466  0.91351292  0.14373885
   0.34324474  0.84099183  0.25759678
   0.13538226  0.66136035  0.49395479
   0.38649275  0.61952691  0.87505554
   0.08394009  0.90383077  0.61220003
   0.34574591  0.94093240  0.72696199
   0.64978778  0.13617455  1.01183430
   0.88997669  0.10816142  0.38214824
   0.62954901  0.41247592  0.12536710
   0.90397638  0.29595868  0.19863109
   0.63248219  0.16692625  0.52062962
   0.90187888  0.11991281  0.88417402
   0.58698715  0.42809755  0.62752982
   0.78505472  0.35996486  0.79974561
   0.63600738  0.65621383  0.00509885
   0.88815873  0.59528187  0.37703996
   0.59255154  0.89756557  0.14273273
   0.83619865  0.85836240  0.26139887
   0.63821157  0.65122839  0.49299487
   0.90896698  0.61102253  0.87385802
   0.63065945  0.93642370  0.66241641
   0.86355943  0.86265860  0.77214527
   0.10431397  0.07931791  0.11272226
   0.36346732  0.18711476  0.28866672
   0.11078636  0.32661830  0.04513197
   0.35117530  0.43044492  0.35612578
   0.54368434  0.38212341  0.23131439
   0.29323140  0.39824533  0.17231199
   0.28739853  0.08445312  0.46156952
   0.03616305  0.13750100  0.40909084
   0.10535168  0.07316792  0.60157209
   0.40187812  0.23325283  0.80319591
   0.16935635  0.30024444  0.52264398
   0.38370969  0.47251416  0.83404597
   0.44212918  0.39588303  0.66332948
   0.19277343  0.36291223  0.70872758
   0.31878400  0.17223469 -0.02257225
   0.05632758  0.16827104  0.90845243
   0.12140472  0.59947548  0.12522697
   0.35623877  0.67551366  0.28102399
   0.12279128  0.82646583  0.04829280
   0.40143946  0.92757534  0.34431798
   0.43061529  0.87050324  0.16431944
   0.18605466  0.86960242  0.23393797
   0.29370446  0.65350726  0.45459561
   0.03876625  0.62715069  0.40375599
   0.12563779  0.54397013  0.58017995
   0.35300495  0.72078936  0.78639181
   0.09362289  0.81737779  0.52241034
   0.36778346  0.97401812  0.84024256
   0.47243752  0.89372345  0.66815466
   0.19878110  0.86057964  0.69305849
   0.29103796  0.65122644 -0.02992924
   0.04289402  0.64559536  0.92990307
   0.60209827  0.04999551  0.10469287
   0.85499807  0.19345023  0.28745487
   0.61053178  0.29102064  0.04488039
   0.82233956  0.43591974  0.34770626
   0.02649441  0.39614005  0.22271540
   0.78808317  0.40041468  0.15776680
   0.79523189  0.13043954  0.47865446
   0.54113932  0.13248073  0.42966542
   0.61796047  0.10080006  0.62879024
   0.84187983  0.20895535  0.79264914
   0.63868759  0.32748166  0.53460387
   0.90787274  0.45767349  0.83436064
   0.94670238  0.35385290  0.62369088
   0.70321095  0.40086541  0.70540651
   0.80994015  0.12383238  0.98209077
   0.57065439  0.09997201  0.91528627
   0.57553229  0.55179233  0.09354690
   0.83515528  0.70134928  0.29835574
   0.64687776  0.79620343  0.06299511
   0.88637706  0.94967414  0.35312509
   0.93585583  0.88322466  0.16864240
   0.67728252  0.87564778  0.24217690
   0.80740001  0.62446518  0.47915369
   0.55958775  0.55727018  0.41154260
   0.60563287  0.59190006  0.59911542
   0.89941628  0.70391141  0.77695483
   0.60588193  0.80792626  0.48268579
   0.90935133  0.96398247  0.85596871
   0.93981467  0.89888495  0.67179467
   0.69669896  0.88587138  0.76814122
   0.78142136  0.62830569  0.94654867
   0.53087525  0.64672417  0.91157496
   0.71854128  0.87922108  0.58895712
   0.66655785  0.87946089  0.45006427
   0.91847687  0.20185247  0.12172802
   0.70971247  0.44073567  0.34635030
   0.30576833  0.06700580  0.66806265
   0.25786345  0.69264166  0.76207197
   0.02705404  1.14034748  0.16469757
   0.16715035  1.03425090 -0.03604567
   0.69224266  0.35275914  0.88857047
   0.89356654  0.39679398  0.57655629
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878373    0.031050   -0.027469
    -0.000000   10.031886    0.254206
    -0.000000   -0.000000   13.784129
   Si   O    H 
    32    64    10
Direct configuration=   285
   0.15435865  0.17448796  0.00153766
   0.40597645  0.08263845  0.38046854
   0.13549548  0.43580826  0.13915973
   0.39176868  0.34030458  0.26501515
   0.14774284  0.14273924  0.49851381
   0.40575803  0.12284019  0.89138638
   0.10637421  0.38787203  0.61193880
   0.34353466  0.36130859  0.75323396
   0.14434772  0.67730864  0.01798648
   0.39409983  0.58380863  0.37661926
   0.09653070  0.91432307  0.14422808
   0.34366224  0.84016672  0.25862291
   0.13639862  0.66047287  0.49486045
   0.38628100  0.61791034  0.87528494
   0.08382335  0.90405260  0.61159712
   0.34506498  0.94335284  0.72747636
   0.64978494  0.13668865  1.01171821
   0.88881361  0.10733439  0.38198131
   0.62912689  0.41180491  0.12572841
   0.90364814  0.29408550  0.19802805
   0.63340597  0.16784321  0.52065667
   0.90238429  0.11930529  0.88437023
   0.58771173  0.42861189  0.62635509
   0.78404214  0.36099077  0.80032574
   0.63514870  0.65744179  0.00523054
   0.88761737  0.59480815  0.37723532
   0.59139954  0.89699598  0.14098394
   0.83565434  0.85725729  0.26118267
   0.63752706  0.65171668  0.49288826
   0.90781750  0.61011645  0.87414120
   0.62976849  0.93632400  0.66360543
   0.86353050  0.86314170  0.77189656
   0.10421233  0.07988514  0.11338260
   0.36379522  0.18545758  0.28870640
   0.11027400  0.32621396  0.04451518
   0.35056029  0.43091256  0.35604965
   0.54340623  0.37928993  0.23272615
   0.29358596  0.39825970  0.17137587
   0.28649486  0.08438373  0.46080909
   0.03745511  0.13826802  0.40920479
   0.10380522  0.07309121  0.60145736
   0.40114648  0.23125099  0.80349414
   0.17061322  0.30185944  0.52274275
   0.38160588  0.47001710  0.83316747
   0.44242568  0.39686858  0.66339431
   0.19263332  0.36217780  0.71054785
   0.31957666  0.17295013 -0.02126597
   0.05454341  0.16939392  0.90732778
   0.12130589  0.59976853  0.12573252
   0.35844300  0.67655554  0.27899354
   0.12097666  0.82494972  0.04834285
   0.40074474  0.92643095  0.34410657
   0.42977279  0.87207504  0.16361797
   0.18673643  0.87012165  0.23414967
   0.29202137  0.65552672  0.45437985
   0.03863017  0.62659385  0.40420869
   0.12776061  0.54511592  0.58019600
   0.35211855  0.72226077  0.78665694
   0.09453920  0.81866474  0.52185599
   0.36728670  0.97445273  0.84009838
   0.47220735  0.89519286  0.66814392
   0.20000691  0.86151507  0.69275045
   0.29251362  0.65183935 -0.03043919
   0.04216780  0.64507531  0.93137701
   0.60212442  0.04941840  0.10522754
   0.85446035  0.19336872  0.28742770
   0.61124268  0.29231987  0.04546326
   0.82035788  0.43402555  0.34857259
   0.02789579  0.39575406  0.22254765
   0.78824712  0.40134237  0.15793900
   0.79382027  0.13269117  0.47822566
   0.53891987  0.13235900  0.42882852
   0.61885074  0.10207152  0.62831876
   0.84233895  0.20925755  0.79277392
   0.63947446  0.32864374  0.53410187
   0.90771500  0.45977275  0.83356102
   0.94528789  0.35216975  0.62439813
   0.70140111  0.39986355  0.70695711
   0.81030649  0.12234910  0.98178053
   0.56994672  0.09936342  0.91453551
   0.57446697  0.55047831  0.09253567
   0.83599698  0.70179822  0.29825557
   0.64626640  0.79501106  0.06415835
   0.88461261  0.94857569  0.35309991
   0.93738702  0.88301157  0.16814314
   0.67956714  0.87391357  0.24319515
   0.80755905  0.62534082  0.47961728
   0.55802264  0.55816706  0.41036769
   0.60567419  0.59172811  0.59914618
   0.89823433  0.70592124  0.77691033
   0.60558160  0.80850957  0.48150764
   0.90787398  0.96520422  0.85570416
   0.93846604  0.89944715  0.67196729
   0.69552513  0.88637877  0.76759020
   0.77996668  0.62895986  0.94634517
   0.53222624  0.64674604  0.91195734
   0.71296776  0.88592785  0.59543320
   0.65794655  0.87758331  0.45490460
   0.91587846  0.19724369  0.12305849
   0.71242105  0.44088385  0.34342190
   0.30936360  0.07445537  0.67015585
   0.26355400  0.70092280  0.76570859
   0.02531092  1.14103374  0.16947899
   0.16542773  1.02722306 -0.04117268
   0.69278772  0.35409899  0.89059762
   0.89421681  0.39310629  0.57322917
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877427    0.033177   -0.026191
    -0.000000   10.032372    0.252161
    -0.000000   -0.000000   13.782252
   Si   O    H 
    32    64    10
Direct configuration=   286
   0.15453714  0.17336837  0.00164901
   0.40528224  0.08315378  0.38038410
   0.13431173  0.43677203  0.13962657
   0.39195044  0.34010144  0.26449390
   0.14874905  0.14243630  0.49835455
   0.40517225  0.12115594  0.89128609
   0.10640618  0.38814460  0.61178042
   0.34377664  0.36226694  0.75201097
   0.14398076  0.67608934  0.01842763
   0.39361770  0.58406433  0.37673331
   0.09669719  0.91505064  0.14452196
   0.34427706  0.83866563  0.25984796
   0.13722445  0.65946032  0.49584773
   0.38594722  0.61635564  0.87521997
   0.08372337  0.90474455  0.61163317
   0.34384772  0.94564718  0.72769715
   0.65054655  0.13673833  1.01188712
   0.88765533  0.10667159  0.38210259
   0.62845823  0.41085013  0.12570017
   0.90269416  0.29270768  0.19759736
   0.63471264  0.16894007  0.52011281
   0.90224149  0.11882779  0.88479172
   0.58893444  0.42850579  0.62507386
   0.78238923  0.36154823  0.80064250
   0.63430102  0.65821002  0.00500269
   0.88672407  0.59381756  0.37739418
   0.58949046  0.89635930  0.13993178
   0.83521477  0.85591961  0.26116125
   0.63748794  0.65207377  0.49258165
   0.90700193  0.60872255  0.87451409
   0.62883569  0.93662899  0.66506245
   0.86351846  0.86362032  0.77168413
   0.10421995  0.07975813  0.11405398
   0.36423136  0.18391744  0.28904652
   0.10959541  0.32625718  0.04433870
   0.34999749  0.43011277  0.35619402
   0.54332143  0.37620280  0.23381426
   0.29423099  0.39821457  0.17077729
   0.28605085  0.08440953  0.45975631
   0.03973951  0.13869411  0.40936699
   0.10254388  0.07277392  0.60123910
   0.40050101  0.22887500  0.80384268
   0.17129536  0.30321165  0.52328804
   0.38029850  0.46785695  0.83251076
   0.44139436  0.39787346  0.66331186
   0.19300190  0.36190076  0.71248656
   0.31980327  0.17360908 -0.01966244
   0.05216932  0.17041995  0.90627692
   0.12138673  0.59939803  0.12593292
   0.36096543  0.67724774  0.27730950
   0.11908079  0.82471288  0.04795310
   0.40051000  0.92642107  0.34435804
   0.42973490  0.87398296  0.16211925
   0.18776729  0.87045414  0.23458235
   0.29056443  0.65628518  0.45425922
   0.03861614  0.62548848  0.40453533
   0.13025516  0.54650402  0.58078882
   0.35152813  0.72284897  0.78710281
   0.09542746  0.81915536  0.52057855
   0.36643173  0.97563279  0.83984825
   0.47258181  0.89589609  0.66809497
   0.20187093  0.86258980  0.69249878
   0.29382790  0.65173209 -0.03072592
   0.04196781  0.64554550  0.93206595
   0.60244490  0.04927421  0.10567192
   0.85318984  0.19354317  0.28659916
   0.61186814  0.29409994  0.04605543
   0.81828328  0.43414783  0.34962421
   0.02881653  0.39435414  0.22291917
   0.78841010  0.40192419  0.15866605
   0.79198830  0.13494256  0.47751966
   0.53725627  0.13187182  0.42882095
   0.61964591  0.10286752  0.62822594
   0.84248110  0.21000016  0.79374715
   0.64071881  0.33068742  0.53359745
   0.90803102  0.46168526  0.83272896
   0.94397333  0.35082310  0.62546446
   0.69963462  0.39931563  0.70819023
   0.81092394  0.12176104  0.98181252
   0.56885797  0.09891030  0.91345801
   0.57419057  0.54999685  0.09142991
   0.83626717  0.70250243  0.29793684
   0.64576392  0.79395163  0.06475131
   0.88336429  0.94736605  0.35318582
   0.93797819  0.88257538  0.16760535
   0.68049582  0.87277133  0.24429834
   0.80808776  0.62594567  0.47953513
   0.55595335  0.55912980  0.40958324
   0.60444895  0.59084116  0.59939354
   0.89765436  0.70777811  0.77713557
   0.60479165  0.80908580  0.48005968
   0.90662085  0.96571928  0.85545049
   0.93702568  0.89921085  0.67190797
   0.69520145  0.88679760  0.76730167
   0.77865167  0.63087270  0.94642301
   0.53377030  0.64715445  0.91247493
   0.71020687  0.89069039  0.59591729
   0.65563991  0.88081117  0.46020738
   0.91575645  0.19508585  0.12337110
   0.72970485  0.43905549  0.34072131
   0.31502066  0.07483779  0.67356042
   0.26414268  0.71142305  0.76490298
   0.02531577  1.14209561  0.17295585
   0.16323054  1.01715102 -0.04102554
   0.69277327  0.35568298  0.88851421
   0.89007806  0.39025855  0.56418824
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876666    0.035248   -0.024785
    -0.000000   10.032762    0.250298
    -0.000000   -0.000000   13.780211
   Si   O    H 
    32    64    10
Direct configuration=   287
   0.15470572  0.17212926  0.00163231
   0.40423819  0.08358766  0.37999088
   0.13348121  0.43699304  0.13988383
   0.39255285  0.34066187  0.26312620
   0.14955172  0.14232375  0.49806866
   0.40457195  0.11914515  0.89102239
   0.10684051  0.38836222  0.61123529
   0.34402347  0.36353092  0.75126693
   0.14336147  0.67479559  0.01909772
   0.39262342  0.58433365  0.37686361
   0.09653173  0.91535846  0.14429749
   0.34428963  0.83746780  0.26093938
   0.13823538  0.65864343  0.49626414
   0.38575673  0.61475968  0.87444774
   0.08356477  0.90605293  0.61198126
   0.34202162  0.94740575  0.72790097
   0.65088064  0.13625858  1.01270376
   0.88635723  0.10569440  0.38210932
   0.62728637  0.40930213  0.12560456
   0.90157189  0.29161790  0.19749688
   0.63651048  0.17000417  0.51933470
   0.90177462  0.11811234  0.88519284
   0.58987347  0.42879763  0.62384860
   0.78098668  0.36196511  0.80114274
   0.63362290  0.65862244  0.00463760
   0.88547397  0.59322679  0.37707649
   0.58803983  0.89620257  0.13972691
   0.83486996  0.85513335  0.26114731
   0.63784722  0.65253616  0.49191390
   0.90615949  0.60806872  0.87491151
   0.62846564  0.93695178  0.66643841
   0.86399389  0.86422355  0.77132403
   0.10431115  0.07924641  0.11438617
   0.36420112  0.18289081  0.28961324
   0.10835894  0.32631071  0.04400998
   0.34895771  0.42942973  0.35644013
   0.54485863  0.37311112  0.23497859
   0.29536661  0.39776189  0.17058968
   0.28639620  0.08420108  0.45876856
   0.04188321  0.14025414  0.40881030
   0.10138020  0.07158410  0.60019978
   0.39985985  0.22724318  0.80437385
   0.17284970  0.30437044  0.52349058
   0.37966618  0.46639899  0.83138022
   0.44001366  0.39751282  0.66315441
   0.19290975  0.36111979  0.71456942
   0.31992100  0.17369678 -0.01781580
   0.04928527  0.17212668  0.90495638
   0.12194589  0.59873960  0.12573038
   0.36298678  0.67800036  0.27585076
   0.11728791  0.82585115  0.04736127
   0.40004407  0.92712746  0.34488651
   0.42971519  0.87517803  0.16008416
   0.18814603  0.87129295  0.23521571
   0.29010813  0.65656510  0.45388362
   0.03867318  0.62463009  0.40414594
   0.13337570  0.54807708  0.58154285
   0.35208207  0.72379185  0.78770535
   0.09665023  0.81865392  0.51885678
   0.36592571  0.97724767  0.83954889
   0.47245068  0.89684535  0.66862120
   0.20354925  0.86379694  0.69202376
   0.29493419  0.65085852 -0.03073567
   0.04191305  0.64603207  0.93289319
   0.60288206  0.04943088  0.10617131
   0.85257016  0.19342698  0.28623365
   0.61180450  0.29541590  0.04648460
   0.81865431  0.43447905  0.35102251
   0.02923083  0.39287367  0.22317539
   0.78830943  0.40239995  0.15891224
   0.79037255  0.13746502  0.47636176
   0.53632781  0.13139612  0.42893220
   0.62050156  0.10374342  0.62867029
   0.84225179  0.21051226  0.79524737
   0.64204960  0.33250954  0.53327993
   0.90922560  0.46378036  0.83198500
   0.94234193  0.34981736  0.62623791
   0.69741486  0.39901835  0.70950505
   0.81082090  0.12098845  0.98218357
   0.56718533  0.09803509  0.91263922
   0.57441747  0.55073331  0.08990786
   0.83665462  0.70304611  0.29669681
   0.64484523  0.79300473  0.06465989
   0.88280119  0.94712536  0.35373021
   0.93856419  0.88167338  0.16630607
   0.68065534  0.87203774  0.24488445
   0.80707985  0.62615805  0.47898476
   0.55373821  0.56033765  0.40863221
   0.60366821  0.59009220  0.59947654
   0.89639910  0.70939834  0.77706756
   0.60443409  0.80882183  0.47889534
   0.90554201  0.96602337  0.85563098
   0.93560795  0.89819025  0.67159984
   0.69540817  0.88745199  0.76688568
   0.77703993  0.63224663  0.94671089
   0.53523752  0.64820458  0.91255549
   0.71607978  0.88884833  0.58819061
   0.65908508  0.89085812  0.46081787
   0.91961425  0.19552806  0.12132735
   0.72220239  0.43902764  0.33796484
   0.32217223  0.07469160  0.67565171
   0.25244473  0.72285974  0.75720249
   0.02391823  1.14129681  0.17365401
   0.16561377  1.01208591 -0.03654884
   0.69415794  0.35836315  0.88418680
   0.89206526  0.38107436  0.56240550
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876024    0.037372   -0.023446
    -0.000000   10.032689    0.248485
    -0.000000   -0.000000   13.778366
   Si   O    H 
    32    64    10
Direct configuration=   288
   0.15372651  0.17056364  0.00128146
   0.40325755  0.08360996  0.37940542
   0.13351399  0.43683975  0.14022557
   0.39262413  0.34088323  0.26159443
   0.15071061  0.14245167  0.49792251
   0.40453190  0.11724828  0.89032018
   0.10712097  0.38845302  0.61105117
   0.34470752  0.36470273  0.75043398
   0.14224387  0.67337755  0.01980459
   0.39181590  0.58441223  0.37666254
   0.09618965  0.91477439  0.14417815
   0.34443087  0.83664231  0.26129561
   0.13916303  0.65768094  0.49648520
   0.38549718  0.61399962  0.87367028
   0.08339710  0.90746953  0.61247290
   0.33990449  0.94999881  0.72787446
   0.65101905  0.13604213  1.01344095
   0.88544312  0.10498958  0.38214177
   0.62695042  0.40783170  0.12602973
   0.90026960  0.29159088  0.19731978
   0.63824348  0.17166463  0.51857563
   0.90070256  0.11687170  0.88581668
   0.59123711  0.42867899  0.62263799
   0.78087672  0.36169413  0.80158341
   0.63305213  0.65910928  0.00414414
   0.88364780  0.59268470  0.37678149
   0.58650656  0.89584123  0.13988262
   0.83489380  0.85426367  0.26071910
   0.63850815  0.65283696  0.49077895
   0.90584428  0.60737095  0.87524395
   0.62793977  0.93820256  0.66730469
   0.86450744  0.86481518  0.77154378
   0.10487737  0.07858478  0.11496876
   0.36376966  0.18223971  0.29052641
   0.10658357  0.32733995  0.04369594
   0.34837018  0.42926534  0.35673167
   0.54716855  0.37018128  0.23580001
   0.29659349  0.39653717  0.17032365
   0.28670053  0.08388871  0.45795801
   0.04412693  0.14069365  0.40834246
   0.10062702  0.06956304  0.59879365
   0.39885895  0.22655023  0.80520410
   0.17401950  0.30535780  0.52371696
   0.37771398  0.46503028  0.83055007
   0.43979000  0.39720250  0.66252515
   0.19209850  0.35996184  0.71650514
   0.31979220  0.17365570 -0.01620254
   0.04744823  0.17451380  0.90372756
   0.12228981  0.59685532  0.12539922
   0.36529934  0.67802210  0.27510196
   0.11527528  0.82727127  0.04758535
   0.39976115  0.92872913  0.34574101
   0.42935679  0.87587935  0.15778383
   0.18731225  0.87168367  0.23560172
   0.28993944  0.65698193  0.45394658
   0.04016637  0.62282202  0.40385576
   0.13635195  0.54954533  0.58236750
   0.35320182  0.72366357  0.78780865
   0.09804539  0.81770872  0.51730965
   0.36521434  0.97906405  0.83905131
   0.47214618  0.89881850  0.66922264
   0.20515841  0.86390962  0.69155139
   0.29516998  0.64956042 -0.03064015
   0.04222807  0.64635496  0.93345552
   0.60410439  0.05025891  0.10674686
   0.85078462  0.19323106  0.28542084
   0.61212877  0.29652063  0.04713177
   0.81942196  0.43611841  0.35202385
   0.02906474  0.39197890  0.22347409
   0.78857731  0.40261749  0.15915205
   0.78908103  0.13989691  0.47519941
   0.53645685  0.13139089  0.42917480
   0.62157737  0.10418481  0.62985825
   0.84189831  0.21032042  0.79670673
   0.64392672  0.33440139  0.53342955
   0.90945602  0.46557029  0.83188728
   0.94076969  0.34955537  0.62661367
   0.69463604  0.39856145  0.71057190
   0.81065173  0.12031680  0.98294971
   0.56611995  0.09752707  0.91297117
   0.57519373  0.55167800  0.08854014
   0.83762733  0.70313172  0.29515289
   0.64327698  0.79268757  0.06412323
   0.88303464  0.94725279  0.35362195
   0.93870757  0.88086831  0.16476101
   0.68018028  0.87228852  0.24459521
   0.80673271  0.62640177  0.47833487
   0.55228693  0.56191783  0.40854289
   0.60287040  0.58951762  0.59939218
   0.89513330  0.71013270  0.77734842
   0.60463101  0.80883366  0.47756362
   0.90461471  0.96614638  0.85549231
   0.93530415  0.89771400  0.67041059
   0.69542235  0.88866895  0.76684119
   0.77510169  0.63426821  0.94664161
   0.53658629  0.64950543  0.91199360
   0.72203256  0.88908150  0.58604665
   0.65970443  0.89056929  0.46002799
   0.92369967  0.19658729  0.12153105
   0.71280311  0.43713057  0.33617358
   0.32945857  0.07499787  0.67951828
   0.25137640  0.73336004  0.75444577
   0.02396966  1.14047708  0.16947222
   0.16703206  1.01338440 -0.03026646
   0.69088020  0.36258335  0.88168050
   0.89611816  0.37167444  0.56420469
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875586    0.039452   -0.022523
    -0.000000   10.032623    0.246720
    -0.000000   -0.000000   13.776612
   Si   O    H 
    32    64    10
Direct configuration=   289
   0.15285571  0.16889907  0.00091313
   0.40264189  0.08293482  0.37881223
   0.13441118  0.43580844  0.14016783
   0.39236318  0.34067582  0.26003544
   0.15142267  0.14321147  0.49754429
   0.40440289  0.11569851  0.88970175
   0.10781588  0.38822174  0.61097774
   0.34566160  0.36564770  0.75009624
   0.14146565  0.67234272  0.02045560
   0.39136065  0.58463497  0.37633187
   0.09537012  0.91423120  0.14387242
   0.34468624  0.83617976  0.26187806
   0.13999839  0.65730801  0.49648757
   0.38530807  0.61311050  0.87284471
   0.08284046  0.90943497  0.61348581
   0.33796528  0.95285188  0.72752844
   0.65109292  0.13591459  1.01374926
   0.88520653  0.10446752  0.38233120
   0.62698301  0.40651693  0.12623375
   0.89875227  0.29161318  0.19775526
   0.64001297  0.17352566  0.51797437
   0.90009766  0.11600583  0.88636511
   0.59249176  0.42830425  0.62155152
   0.78206844  0.36119156  0.80232206
   0.63228497  0.65945228  0.00320720
   0.88136053  0.59246417  0.37650163
   0.58524042  0.89587364  0.14012264
   0.83507848  0.85437517  0.25997310
   0.63942538  0.65326993  0.48921007
   0.90596918  0.60698533  0.87555184
   0.62793529  0.93995549  0.66787064
   0.86477897  0.86536123  0.77161502
   0.10467936  0.07877808  0.11612200
   0.36317856  0.18168700  0.29112808
   0.10563507  0.32867725  0.04400697
   0.34705026  0.42877089  0.35654266
   0.55003184  0.36763079  0.23622965
   0.29754046  0.39469296  0.17010216
   0.28706252  0.08361139  0.45762392
   0.04609287  0.14162288  0.40769841
   0.09995835  0.06788458  0.59728615
   0.39740972  0.22544218  0.80653203
   0.17495955  0.30556994  0.52365528
   0.37602978  0.46464780  0.83078508
   0.43913572  0.39678951  0.66168182
   0.19041193  0.35889300  0.71752460
   0.31932610  0.17296012 -0.01534439
   0.04619723  0.17726641  0.90244381
   0.12328085  0.59424627  0.12442400
   0.36829516  0.67855108  0.27461151
   0.11372510  0.82954798  0.04750116
   0.39949331  0.92972581  0.34644832
   0.42890708  0.87603678  0.15584492
   0.18659659  0.87266517  0.23605932
   0.29107481  0.65785241  0.45355080
   0.04119521  0.62102668  0.40360965
   0.13930260  0.55063553  0.58369194
   0.35371023  0.72335948  0.78769219
   0.09901269  0.81602425  0.51652243
   0.36447106  0.98141786  0.83894901
   0.47177201  0.89972178  0.66932262
   0.20665924  0.86327101  0.69093269
   0.29485246  0.64895702 -0.03022392
   0.04258622  0.64623270  0.93388548
   0.60444491  0.05066011  0.10745329
   0.84897920  0.19329339  0.28459824
   0.61280261  0.29673335  0.04761783
   0.82024799  0.43789589  0.35287427
   0.02768561  0.39053995  0.22367749
   0.78834779  0.40366522  0.15894305
   0.78763798  0.14205414  0.47396309
   0.53713700  0.13154811  0.42986762
   0.62296986  0.10405136  0.63115538
   0.84169317  0.20993470  0.79796708
   0.64532209  0.33597459  0.53309757
   0.91018304  0.46617417  0.83196469
   0.93996843  0.34910653  0.62702118
   0.69224278  0.39845511  0.71179007
   0.81029274  0.12024929  0.98442271
   0.56573268  0.09768624  0.91336722
   0.57624296  0.55225973  0.08644180
   0.83891477  0.70280138  0.29395196
   0.64123030  0.79157361  0.06344752
   0.88370131  0.94749664  0.35330161
   0.93810949  0.88047007  0.16365937
   0.67835386  0.87322133  0.24399760
   0.80534940  0.62609832  0.47810180
   0.54973865  0.56378710  0.40822275
   0.60249407  0.58906674  0.59926147
   0.89497583  0.71127207  0.77832441
   0.60406585  0.80917909  0.47600993
   0.90427284  0.96587028  0.85530327
   0.93519996  0.89762611  0.66870741
   0.69597656  0.89026616  0.76622694
   0.77251224  0.63535772  0.94744885
   0.53634412  0.65027083  0.91074842
   0.72524684  0.89049392  0.58852612
   0.65944911  0.88337946  0.46078059
   0.93153137  0.19874235  0.12096983
   0.71376583  0.43249152  0.33645920
   0.33510880  0.07794348  0.68103252
   0.26036966  0.74138923  0.75354290
   0.03279396  1.13700291  0.16060567
   0.16923804  1.01591332 -0.02013286
   0.68506033  0.36711448  0.88165035
   0.89866576  0.36362610  0.56628848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875547    0.040740   -0.021643
    -0.000000   10.032564    0.244922
    -0.000000   -0.000000   13.774584
   Si   O    H 
    32    64    10
Direct configuration=   290
   0.15225441  0.16631784  0.00040248
   0.40229978  0.08229590  0.37850026
   0.13558767  0.43387463  0.13982887
   0.39223767  0.33961495  0.25894896
   0.15178056  0.14432100  0.49706852
   0.40478535  0.11469828  0.88940406
   0.10819463  0.38847905  0.61123298
   0.34680119  0.36591130  0.75057471
   0.14069363  0.67125309  0.02111553
   0.39069804  0.58449441  0.37606526
   0.09494502  0.91381727  0.14389039
   0.34518793  0.83529451  0.26203317
   0.13985440  0.65656946  0.49610810
   0.38503097  0.61147311  0.87256099
   0.08271015  0.91128481  0.61472296
   0.33655249  0.95594386  0.72686847
   0.65150020  0.13587576  1.01416204
   0.88491011  0.10441597  0.38248409
   0.62698886  0.40512237  0.12625651
   0.89719366  0.29175503  0.19818930
   0.64136744  0.17500119  0.51701944
   0.89888346  0.11570889  0.88669411
   0.59356062  0.42836186  0.62061396
   0.78350173  0.36117918  0.80296046
   0.63171906  0.65912021  0.00233133
   0.87920089  0.59238835  0.37620831
   0.58448932  0.89578626  0.14020361
   0.83527569  0.85483430  0.25962472
   0.63950505  0.65402645  0.48759015
   0.90546021  0.60709372  0.87599077
   0.62817250  0.94163259  0.66729393
   0.86493867  0.86529711  0.77151001
   0.10445099  0.07870462  0.11738580
   0.36335145  0.18138753  0.29210028
   0.10421752  0.32921028  0.04490188
   0.34564849  0.42833772  0.35619642
   0.55259669  0.36606087  0.23598654
   0.29863042  0.39430191  0.16992063
   0.28829388  0.08361021  0.45833062
   0.04809097  0.14274342  0.40712615
   0.09981079  0.06624966  0.59608076
   0.39545554  0.22515614  0.80737584
   0.17550242  0.30571159  0.52380412
   0.37493432  0.46506322  0.83160807
   0.43860285  0.39674390  0.66026137
   0.18826051  0.35815859  0.71791254
   0.31981978  0.17217656 -0.01444412
   0.04427894  0.18006659  0.90133153
   0.12432666  0.59185690  0.12302599
   0.37163923  0.67867744  0.27466257
   0.11280601  0.83151052  0.04730007
   0.39980579  0.93051007  0.34693155
   0.42772612  0.87607006  0.15408351
   0.18604773  0.87270322  0.23675267
   0.29199288  0.65844144  0.45289811
   0.04238041  0.61908388  0.40263948
   0.14145097  0.55120196  0.58482322
   0.35427548  0.72285357  0.78750790
   0.09916142  0.81509082  0.51644482
   0.36381092  0.98387713  0.83851453
   0.47190366  0.90031377  0.66919335
   0.20766880  0.86265174  0.69017613
   0.29387020  0.64850858 -0.03034617
   0.04371843  0.64574605  0.93487046
   0.60452157  0.05052349  0.10825284
   0.84716780  0.19328942  0.28350899
   0.61381203  0.29569009  0.04745995
   0.82109225  0.43969385  0.35388609
   0.02729958  0.38941526  0.22383463
   0.78799922  0.40439989  0.15882828
   0.78633128  0.14424246  0.47241243
   0.53762225  0.13146019  0.43100817
   0.62308746  0.10383404  0.63154300
   0.84133823  0.20904434  0.79968695
   0.64596242  0.33648381  0.53271956
   0.91019630  0.46584721  0.83181411
   0.93989871  0.34925235  0.62805145
   0.69040643  0.39826743  0.71267248
   0.80970117  0.11984631  0.98605945
   0.56537706  0.09844553  0.91425517
   0.57745324  0.55284874  0.08446592
   0.83899752  0.70298847  0.29329291
   0.63961143  0.79084797  0.06268645
   0.88454896  0.94770869  0.35312492
   0.93735042  0.88020483  0.16298865
   0.67633477  0.87376536  0.24250572
   0.80387929  0.62603143  0.47732638
   0.54777450  0.56597744  0.40760349
   0.60177661  0.58902397  0.59913702
   0.89585434  0.71133671  0.77943987
   0.60285298  0.81010935  0.47427564
   0.90439190  0.96547283  0.85526158
   0.93516056  0.89795095  0.66634612
   0.69706575  0.89144095  0.76595544
   0.77053754  0.63513477  0.94788464
   0.53628083  0.65045056  0.90976239
   0.72112970  0.89651067  0.59495305
   0.66517980  0.87661434  0.46146836
   0.93249698  0.20422209  0.11829820
   0.72736641  0.42938422  0.33783821
   0.33631489  0.08618950  0.68082109
   0.27330724  0.74684168  0.75721182
   0.04264591  1.13833278  0.15396648
   0.17223184  1.02263490 -0.00911767
   0.67896020  0.36977013  0.88474037
   0.89439664  0.35764873  0.56210489
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875403    0.041686   -0.020427
    -0.000000   10.032490    0.243666
    -0.000000   -0.000000   13.772935
   Si   O    H 
    32    64    10
Direct configuration=   291
   0.15180641  0.16395502 -0.00005163
   0.40206018  0.08133696  0.37734343
   0.13684598  0.43127069  0.13969442
   0.39152694  0.33887172  0.25801080
   0.15187357  0.14532044  0.49672675
   0.40471068  0.11402329  0.88935162
   0.10855118  0.38844112  0.61177539
   0.34773689  0.36551028  0.75077988
   0.14055261  0.67055420  0.02188111
   0.38996464  0.58416479  0.37585735
   0.09367575  0.91383377  0.14333548
   0.34600623  0.83457319  0.26228607
   0.13955663  0.65649591  0.49560516
   0.38491376  0.61003002  0.87243379
   0.08278080  0.91269274  0.61561736
   0.33520762  0.95787556  0.72622056
   0.65186841  0.13618440  1.01455759
   0.88456633  0.10424453  0.38273749
   0.62740524  0.40374455  0.12673631
   0.89609567  0.29255854  0.19855718
   0.64295626  0.17658368  0.51608882
   0.89746696  0.11572981  0.88697883
   0.59423116  0.42841629  0.61960980
   0.78442894  0.36162853  0.80326799
   0.63069498  0.65886139  0.00131931
   0.87727242  0.59208059  0.37593097
   0.58422940  0.89606027  0.14041087
   0.83568896  0.85565661  0.25927832
   0.64001750  0.65453074  0.48588374
   0.90462890  0.60752117  0.87643384
   0.62817799  0.94373981  0.66643866
   0.86505210  0.86607125  0.77124963
   0.10502200  0.07777739  0.11772430
   0.36450141  0.18090688  0.29258626
   0.10335020  0.32997468  0.04508323
   0.34428794  0.42871569  0.35568096
   0.55528696  0.36369237  0.23525171
   0.30004206  0.39415182  0.16975729
   0.28984565  0.08378108  0.45958028
   0.05020405  0.14402114  0.40643713
   0.10071837  0.06520752  0.59497868
   0.39359465  0.22501797  0.80782405
   0.17614228  0.30600868  0.52409578
   0.37405133  0.46543622  0.83253707
   0.43921352  0.39592111  0.65860607
   0.18637518  0.35817842  0.71834442
   0.32070562  0.17169129 -0.01320684
   0.04320653  0.18283910  0.90098324
   0.12515178  0.59051897  0.12166189
   0.37523364  0.67869803  0.27494138
   0.11249107  0.83294668  0.04720233
   0.39984866  0.93176720  0.34749351
   0.42553345  0.87640852  0.15284234
   0.18574004  0.87352785  0.23760532
   0.29345837  0.65835174  0.45188441
   0.04427082  0.61722963  0.40222069
   0.14300289  0.55144553  0.58601410
   0.35494267  0.72255723  0.78706849
   0.09927328  0.81384073  0.51636000
   0.36355360  0.98575940  0.83801207
   0.47112997  0.90108998  0.66849543
   0.20770282  0.86262559  0.68925978
   0.29258919  0.64786675 -0.02972555
   0.04434759  0.64513129  0.93598703
   0.60492505  0.05049291  0.10934870
   0.84457823  0.19333761  0.28305754
   0.61386151  0.29410060  0.04748286
   0.82220434  0.44110629  0.35465013
   0.02794902  0.38868582  0.22384858
   0.78719977  0.40436142  0.15888922
   0.78609717  0.14621787  0.47125729
   0.53828930  0.13202527  0.43247146
   0.62255165  0.10463392  0.63164855
   0.84052321  0.20834950  0.80088250
   0.64549195  0.33735293  0.53286688
   0.90992251  0.46489816  0.83134640
   0.94082249  0.35012682  0.62851581
   0.68863310  0.39853068  0.71311237
   0.80886358  0.11965887  0.98769063
   0.56525832  0.09994615  0.91552681
   0.57893687  0.55298504  0.08284893
   0.83944060  0.70361650  0.29232703
   0.63739337  0.79090915  0.06181650
   0.88559485  0.94780984  0.35236848
   0.93677601  0.87936038  0.16286232
   0.67450390  0.87482997  0.24101512
   0.80159659  0.62611937  0.47659395
   0.54613045  0.56909852  0.40716042
   0.60172000  0.58841526  0.59858931
   0.89680283  0.71129956  0.78011980
   0.60147905  0.81086790  0.47286878
   0.90552085  0.96417111  0.85504168
   0.93600845  0.89830221  0.66426832
   0.69782778  0.89157129  0.76643785
   0.76988880  0.63471843  0.94809320
   0.53521277  0.65072472  0.90832668
   0.71842007  0.90378619  0.59926348
   0.67782978  0.87915857  0.45957613
   0.93081982  0.21392376  0.11703730
   0.73475813  0.42508162  0.33898193
   0.33550875  0.09768792  0.68036124
   0.27222579  0.74910984  0.75615238
   0.04574311  1.14818323  0.15197873
   0.17517616  1.02349312 -0.00479043
   0.67583331  0.36911353  0.88614794
   0.88693268  0.35322533  0.55990293
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875391    0.042980   -0.019198
    -0.000000   10.032849    0.242684
    -0.000000   -0.000000   13.771009
   Si   O    H 
    32    64    10
Direct configuration=   292
   0.15094542  0.16226192 -0.00039777
   0.40180999  0.08061734  0.37693724
   0.13784287  0.42867620  0.13953789
   0.39109956  0.33837082  0.25759978
   0.15270039  0.14660880  0.49656301
   0.40464479  0.11360226  0.88983464
   0.10868734  0.38835182  0.61211712
   0.34880303  0.36497166  0.75068482
   0.14060662  0.67037923  0.02272928
   0.38942077  0.58382512  0.37548688
   0.09295966  0.91323853  0.14350817
   0.34690628  0.83376212  0.26212949
   0.13913650  0.65676626  0.49499697
   0.38514628  0.60996373  0.87207829
   0.08351455  0.91375830  0.61672002
   0.33401584  0.95960822  0.72518432
   0.65150173  0.13653703  1.01523206
   0.88415218  0.10432326  0.38315996
   0.62784882  0.40220090  0.12728637
   0.89484929  0.29339553  0.19875207
   0.64457239  0.17814537  0.51557590
   0.89597836  0.11542682  0.88729476
   0.59456358  0.42798296  0.61903916
   0.78591666  0.36214115  0.80389581
   0.62976635  0.65895821 -0.00033524
   0.87585408  0.59219153  0.37596997
   0.58377235  0.89655761  0.14080780
   0.83658671  0.85665410  0.25903436
   0.64058408  0.65456718  0.48454318
   0.90378021  0.60820030  0.87685695
   0.62752396  0.94585024  0.66585864
   0.86532670  0.86685411  0.77125497
   0.10585465  0.07692129  0.11835663
   0.36557976  0.18043361  0.29265902
   0.10262246  0.33024149  0.04557139
   0.34309653  0.42909898  0.35466558
   0.55755434  0.36127402  0.23400906
   0.30117374  0.39444423  0.16954255
   0.29106616  0.08413097  0.46032446
   0.05117848  0.14416825  0.40573119
   0.10149627  0.06481629  0.59353517
   0.39224219  0.22562141  0.80811529
   0.17662991  0.30514880  0.52445293
   0.37316164  0.46514119  0.83402345
   0.44000876  0.39491756  0.65668180
   0.18395955  0.35847018  0.71924249
   0.32149226  0.17142093 -0.01216327
   0.04250675  0.18580624  0.90093679
   0.12647054  0.58944818  0.12053818
   0.37859865  0.67908776  0.27551058
   0.11265108  0.83346578  0.04701661
   0.39991362  0.93276570  0.34753398
   0.42380285  0.87699963  0.15206972
   0.18563976  0.87374021  0.23877889
   0.29542215  0.65849195  0.45104255
   0.04586994  0.61541105  0.40189767
   0.14423583  0.55112607  0.58708905
   0.35611330  0.72206101  0.78713743
   0.09875849  0.81292628  0.51621591
   0.36207746  0.98642093  0.83731254
   0.47003993  0.90193145  0.66785940
   0.20728003  0.86205738  0.68837601
   0.29058454  0.64649073 -0.02873237
   0.04415715  0.64436397  0.93696585
   0.60541199  0.05095011  0.11035084
   0.84176189  0.19376291  0.28312673
   0.61318805  0.29242028  0.04694006
   0.82396503  0.44227276  0.35602459
   0.02807672  0.38770275  0.22372827
   0.78588712  0.40373873  0.15905159
   0.78593141  0.14784701  0.46970751
   0.53975323  0.13230125  0.43407366
   0.62249839  0.10603177  0.63082743
   0.83921090  0.20772244  0.80233244
   0.64531371  0.33767363  0.53314956
   0.90920814  0.46453928  0.83090763
   0.94134625  0.35211582  0.62882908
   0.68712537  0.39880812  0.71365133
   0.80786899  0.11935332  0.98903767
   0.56499450  0.10139464  0.91733533
   0.58048081  0.55199222  0.08177190
   0.84056027  0.70294974  0.29158716
   0.63461904  0.79146895  0.06084268
   0.88677572  0.94776907  0.35181812
   0.93727927  0.87886711  0.16306068
   0.67246285  0.87575606  0.23915952
   0.79916202  0.62591887  0.47613647
   0.54506863  0.57214484  0.40695736
   0.60233851  0.58900698  0.59757022
   0.89828158  0.71149849  0.78096077
   0.60012028  0.81135514  0.47196020
   0.90688412  0.96288750  0.85497508
   0.93768464  0.89887568  0.66219616
   0.69786244  0.89205873  0.76665761
   0.77005496  0.63383595  0.94806307
   0.53501227  0.65056130  0.90737084
   0.72088013  0.90487309  0.59585570
   0.68326768  0.87541666  0.46082379
   0.92551314  0.22076043  0.11462535
   0.72366049  0.41499007  0.33883933
   0.33156087  0.10510140  0.68013527
   0.26485253  0.74700075  0.75217372
   0.04168296  1.16254715  0.15617885
   0.17843840  1.01827502 -0.00598598
   0.67616415  0.36809362  0.88394336
   0.88379373  0.35224973  0.56270291
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875463    0.043645   -0.018007
    -0.000000   10.033467    0.241304
    -0.000000   -0.000000   13.769283
   Si   O    H 
    32    64    10
Direct configuration=   293
   0.15008107  0.16001210 -0.00067792
   0.40118642  0.08027088  0.37677520
   0.13856551  0.42610631  0.13970140
   0.39111903  0.33776779  0.25756140
   0.15379398  0.14812171  0.49653925
   0.40491818  0.11390251  0.89068713
   0.10924385  0.38866573  0.61262056
   0.34999665  0.36416319  0.75065636
   0.14086950  0.67062976  0.02307011
   0.38901052  0.58335602  0.37478256
   0.09316563  0.91267977  0.14359985
   0.34787288  0.83299790  0.26162980
   0.13889742  0.65699356  0.49415046
   0.38521016  0.60976531  0.87184538
   0.08383197  0.91426184  0.61758742
   0.33326096  0.96124942  0.72418575
   0.65101703  0.13703167  1.01616175
   0.88424363  0.10437309  0.38343116
   0.62792500  0.40112699  0.12743089
   0.89380971  0.29383373  0.19895843
   0.64566869  0.17882773  0.51501880
   0.89508837  0.11487621  0.88734276
   0.59488203  0.42806377  0.61931271
   0.78701817  0.36266258  0.80459828
   0.62888739  0.65910452 -0.00252180
   0.87452030  0.59258553  0.37585226
   0.58388114  0.89711642  0.14162128
   0.83718750  0.85755541  0.25857238
   0.64086868  0.65479499  0.48347069
   0.90302422  0.60911333  0.87743083
   0.62641411  0.94727072  0.66509093
   0.86510703  0.86788424  0.77063136
   0.10733236  0.07730106  0.11883964
   0.36709092  0.18034324  0.29270583
   0.10231473  0.33078709  0.04638847
   0.34133189  0.42880682  0.35364945
   0.55849032  0.35913964  0.23233545
   0.30238563  0.39430210  0.16904710
   0.29264958  0.08532200  0.46110764
   0.05115307  0.14439871  0.40511748
   0.10211358  0.06580760  0.59184801
   0.39116265  0.22664909  0.80740959
   0.17683941  0.30398679  0.52497169
   0.37194621  0.46438541  0.83581471
   0.44143547  0.39362009  0.65513129
   0.18216617  0.35945944  0.71987127
   0.32307798  0.17082807 -0.01121187
   0.04272325  0.18876568  0.90142748
   0.12728133  0.58800688  0.11971756
   0.38175453  0.67903208  0.27689960
   0.11299658  0.83293339  0.04672035
   0.40038357  0.93352719  0.34735484
   0.42130628  0.87708897  0.15289912
   0.18638757  0.87339676  0.24027512
   0.29695253  0.65840891  0.45070123
   0.04618119  0.61383387  0.40172545
   0.14426454  0.55113224  0.58756218
   0.35611061  0.72125905  0.78639656
   0.09812254  0.81193568  0.51600909
   0.36092025  0.98616570  0.83706893
   0.46909561  0.90268213  0.66773841
   0.20708322  0.86171176  0.68759731
   0.28908404  0.64513763 -0.02766806
   0.04345302  0.64312127  0.93722842
   0.60639924  0.05130861  0.11070555
   0.83949494  0.19290050  0.28333375
   0.61227504  0.28991239  0.04580753
   0.82493294  0.44330960  0.35699528
   0.02757113  0.38729576  0.22411451
   0.78469841  0.40322453  0.15929066
   0.78642781  0.14953830  0.46773135
   0.54134950  0.13254791  0.43526958
   0.62300261  0.10801600  0.62987605
   0.83810494  0.20743468  0.80336705
   0.64494351  0.33818868  0.53284362
   0.90863811  0.46456507  0.83014039
   0.94189786  0.35362021  0.62790720
   0.68572929  0.39918796  0.71434813
   0.80704181  0.11839303  0.99012370
   0.56461530  0.10281567  0.91905504
   0.58206745  0.55063314  0.08118195
   0.84208380  0.70228280  0.29108443
   0.63184976  0.79255295  0.06052550
   0.88743790  0.94705273  0.35157791
   0.93674691  0.87813525  0.16351914
   0.67110586  0.87674044  0.23731591
   0.79740845  0.62561848  0.47628842
   0.54417522  0.57480752  0.40702184
   0.60371307  0.58996863  0.59637732
   0.90032959  0.71196750  0.78209814
   0.59912718  0.81243633  0.47081934
   0.90924192  0.96075858  0.85402689
   0.93863899  0.89944980  0.66112547
   0.69787186  0.89347835  0.76720430
   0.77033103  0.63364877  0.94781896
   0.53393806  0.65011114  0.90628365
   0.72756893  0.90312595  0.58732440
   0.68032165  0.86913713  0.46407057
   0.91971553  0.22162899  0.11373123
   0.72867683  0.41203968  0.34233320
   0.32788887  0.10427708  0.68001592
   0.26492225  0.73955753  0.75268245
   0.04005059  1.17651471  0.16061498
   0.18070565  1.01172827 -0.01071640
   0.68299269  0.36306629  0.88115996
   0.88835149  0.35350371  0.57383397
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875131    0.044702   -0.017380
    -0.000000   10.033898    0.240153
    -0.000000   -0.000000   13.767431
   Si   O    H 
    32    64    10
Direct configuration=   294
   0.14941284  0.15769300 -0.00048946
   0.40034430  0.07961961  0.37682418
   0.13940006  0.42420257  0.13997290
   0.39104724  0.33668317  0.25761002
   0.15516806  0.15038643  0.49656313
   0.40530810  0.11403819  0.89184748
   0.10994604  0.38892859  0.61286714
   0.35052855  0.36325138  0.75030262
   0.14160086  0.67088702  0.02351881
   0.38878234  0.58234241  0.37384773
   0.09400799  0.91141449  0.14413492
   0.34880101  0.83244794  0.26094517
   0.13939187  0.65665166  0.49344324
   0.38498059  0.60978446  0.87226746
   0.08415965  0.91392402  0.61759948
   0.33268535  0.96308800  0.72306868
   0.65063481  0.13702549  1.01714071
   0.88466585  0.10484071  0.38364223
   0.62832090  0.40069892  0.12782858
   0.89375570  0.29432968  0.19908011
   0.64669543  0.17923057  0.51522638
   0.89482506  0.11412918  0.88749966
   0.59539030  0.42837406  0.61941943
   0.78817371  0.36313300  0.80453405
   0.62857010  0.65906531 -0.00438292
   0.87376342  0.59263729  0.37537847
   0.58366516  0.89706518  0.14259858
   0.83774010  0.85802003  0.25859697
   0.64082859  0.65513654  0.48237052
   0.90241064  0.61036892  0.87779235
   0.62567316  0.94851845  0.66422037
   0.86493527  0.86918762  0.76933496
   0.10800412  0.07907683  0.11887176
   0.36829156  0.18108418  0.29221912
   0.10259381  0.33072328  0.04726470
   0.33917706  0.42803255  0.35247084
   0.55862457  0.35686006  0.23033068
   0.30274460  0.39386065  0.16901248
   0.29350285  0.08696260  0.46256005
   0.04988857  0.14384768  0.40475069
   0.10261554  0.06688980  0.59008534
   0.39015892  0.22758118  0.80536452
   0.17691549  0.30311097  0.52473065
   0.37017992  0.46419516  0.83695016
   0.44258781  0.39224364  0.65376133
   0.18082633  0.36067047  0.72028061
   0.32363485  0.17018069 -0.01003855
   0.04295149  0.19096024  0.90218883
   0.12739417  0.58623671  0.11914430
   0.38417934  0.67876883  0.27835121
   0.11320838  0.83165361  0.04579073
   0.40152279  0.93363196  0.34671242
   0.41893163  0.87671049  0.15400103
   0.18754443  0.87284120  0.24149612
   0.29801756  0.65908142  0.45000998
   0.04606905  0.61147039  0.40124671
   0.14435084  0.55082877  0.58728561
   0.35541251  0.72006317  0.78565100
   0.09701606  0.81091816  0.51667996
   0.36060233  0.98537025  0.83710653
   0.46756390  0.90271947  0.66818320
   0.20739157  0.86124808  0.68740594
   0.28784022  0.64430779 -0.02614545
   0.04177891  0.64227813  0.93738272
   0.60702518  0.05137467  0.11097213
   0.83774417  0.19248954  0.28376432
   0.61122451  0.28760818  0.04518967
   0.82586810  0.44378830  0.35739297
   0.02734930  0.38722702  0.22388139
   0.78318011  0.40269735  0.15935179
   0.78780226  0.15204355  0.46622323
   0.54196165  0.13251328  0.43631011
   0.62366295  0.10969275  0.62888795
   0.83663021  0.20832590  0.80375409
   0.64477963  0.33878871  0.53254849
   0.90817054  0.46513250  0.82879567
   0.94397985  0.35522802  0.62823329
   0.68448522  0.39935734  0.71496089
   0.80681801  0.11696894  0.99086357
   0.56295847  0.10321993  0.92023793
   0.58246431  0.54889594  0.08043243
   0.84377965  0.70216484  0.29107239
   0.62927484  0.79351009  0.06021932
   0.88822278  0.94748211  0.35150598
   0.93543120  0.87828669  0.16421839
   0.67091258  0.87829456  0.23530592
   0.79614868  0.62468176  0.47573303
   0.54455138  0.57706925  0.40715410
   0.60427707  0.59026558  0.59526504
   0.90188331  0.71169569  0.78343805
   0.59922211  0.81321978  0.46977882
   0.91211809  0.95890534  0.85317764
   0.93968958  0.89990282  0.66054952
   0.69852487  0.89476053  0.76728439
   0.77113890  0.63344336  0.94772355
   0.53257481  0.64919632  0.90532998
   0.72891863  0.90380541  0.58235021
   0.67454876  0.86571208  0.46759723
   0.91649698  0.21627172  0.10990335
   0.74087826  0.41486244  0.34729628
   0.32301432  0.09657020  0.68007755
   0.27035937  0.72832631  0.75732650
   0.03610132  1.18420450  0.16661587
   0.17783671  1.00643055 -0.01425249
   0.68734600  0.36044397  0.87652861
   0.88562656  0.35656846  0.57378316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874592    0.045828   -0.016867
    -0.000000   10.034318    0.239242
    -0.000000   -0.000000   13.765921
   Si   O    H 
    32    64    10
Direct configuration=   295
   0.14902213  0.15595817 -0.00010504
   0.39970237  0.07896144  0.37735529
   0.14011313  0.42271824  0.14031213
   0.39141678  0.33626832  0.25806839
   0.15619208  0.15227596  0.49682393
   0.40602924  0.11437839  0.89327117
   0.11056177  0.38979732  0.61293638
   0.35112171  0.36277094  0.74984074
   0.14236534  0.67173551  0.02357267
   0.38837468  0.58121506  0.37333712
   0.09463641  0.91054011  0.14480497
   0.34937415  0.83277083  0.25998337
   0.13942062  0.65622351  0.49256331
   0.38430070  0.61006119  0.87297406
   0.08521207  0.91332999  0.61734385
   0.33247241  0.96484733  0.72230839
   0.65022040  0.13656730  1.01814443
   0.88502482  0.10570557  0.38337269
   0.62926001  0.40011080  0.12806587
   0.89310415  0.29433155  0.19880471
   0.64732239  0.17862512  0.51576522
   0.89512148  0.11288918  0.88764721
   0.59633750  0.42885103  0.61953701
   0.78917792  0.36339283  0.80386466
   0.62840674  0.65997015 -0.00587384
   0.87362165  0.59312555  0.37499152
   0.58336223  0.89674753  0.14336503
   0.83759321  0.85835710  0.25846224
   0.64017964  0.65544960  0.48195247
   0.90219015  0.61081026  0.87849945
   0.62498050  0.95012783  0.66314371
   0.86498798  0.87018464  0.76805030
   0.10855436  0.08091977  0.11837326
   0.36971931  0.18186485  0.29130411
   0.10359455  0.33050520  0.04764472
   0.33704748  0.42785704  0.35103755
   0.55823497  0.35442428  0.22823653
   0.30332399  0.39349717  0.16912026
   0.29406536  0.08854339  0.46407758
   0.04846838  0.14296270  0.40516138
   0.10225712  0.06767658  0.58774320
   0.38938176  0.22727584  0.80350059
   0.17650382  0.30301705  0.52432830
   0.36852270  0.46373549  0.83752879
   0.44421985  0.39212259  0.65183563
   0.18060813  0.36062355  0.72050227
   0.32484807  0.16979118 -0.00916588
   0.04311283  0.19240200  0.90311830
   0.12740349  0.58413079  0.11808148
   0.38624004  0.67858699  0.27933083
   0.11323217  0.82946952  0.04479415
   0.40253589  0.93321319  0.34503786
   0.41632931  0.87567663  0.15573959
   0.18812608  0.87268561  0.24257431
   0.29853089  0.66006709  0.44938543
   0.04583744  0.60929035  0.40089612
   0.14473959  0.55045670  0.58679872
   0.35549905  0.71994748  0.78538468
   0.09622644  0.81065137  0.51765949
   0.36025613  0.98415482  0.83704287
   0.46650928  0.90273935  0.66855767
   0.20745629  0.86124654  0.68765063
   0.28686545  0.64339637 -0.02488982
   0.03979705  0.64130899  0.93734546
   0.60690594  0.05175353  0.11201220
   0.83612697  0.19194189  0.28369456
   0.61048137  0.28659526  0.04511981
   0.82739147  0.44524240  0.35744328
   0.02754808  0.38712442  0.22417047
   0.78220133  0.40235492  0.15936828
   0.78930784  0.15357937  0.46480890
   0.54257109  0.13295724  0.43642451
   0.62363887  0.11260760  0.62747140
   0.83505758  0.20913607  0.80356672
   0.64471790  0.33962596  0.53210082
   0.90778775  0.46538654  0.82783614
   0.94628329  0.35710053  0.62843097
   0.68397114  0.39900883  0.71544295
   0.80679014  0.11647555  0.99151699
   0.56252844  0.10347165  0.92151104
   0.58305995  0.54623366  0.08010853
   0.84538475  0.70219244  0.29110360
   0.62719060  0.79377395  0.05963589
   0.88752829  0.94839419  0.35136933
   0.93400179  0.87898255  0.16518215
   0.67162116  0.87943429  0.23398842
   0.79567639  0.62369245  0.47465762
   0.54464811  0.57836243  0.40777520
   0.60403837  0.59109198  0.59347517
   0.90298319  0.71096470  0.78527874
   0.59843958  0.81317056  0.46884632
   0.91475667  0.95750865  0.85221871
   0.94000847  0.90063916  0.66036559
   0.69900899  0.89577807  0.76659404
   0.77207010  0.63317729  0.94815739
   0.53138544  0.64835122  0.90442045
   0.72104674  0.90362898  0.58183540
   0.67743307  0.86951173  0.47261621
   0.91611730  0.21159459  0.10983000
   0.73916517  0.41163023  0.35055504
   0.31815820  0.09027136  0.67845934
   0.26666829  0.71690980  0.75750299
   0.03016663  1.17948656  0.17008314
   0.17009996  1.00366125 -0.01495188
   0.68725773  0.35826220  0.87438836
   0.87901542  0.36031509  0.56734979
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873947    0.047383   -0.016192
    -0.000000   10.034943    0.238089
    -0.000000   -0.000000   13.764222
   Si   O    H 
    32    64    10
Direct configuration=   296
   0.14879811  0.15410776 -0.00010932
   0.39998756  0.07891105  0.37842337
   0.14140963  0.42145942  0.14061639
   0.39198470  0.33567683  0.25828575
   0.15658464  0.15374671  0.49692891
   0.40656459  0.11503650  0.89466851
   0.11071221  0.39032790  0.61268217
   0.35124390  0.36229460  0.74957822
   0.14378560  0.67240491  0.02329807
   0.38800329  0.58011059  0.37268498
   0.09480438  0.91042852  0.14494504
   0.34988948  0.83287797  0.25875781
   0.13998315  0.65560745  0.49153589
   0.38360369  0.61056182  0.87391066
   0.08560022  0.91248855  0.61675426
   0.33278066  0.96618262  0.72139441
   0.64924767  0.13594954  1.01902562
   0.88553324  0.10642132  0.38278340
   0.63063231  0.39961284  0.12762544
   0.89271529  0.29419039  0.19880126
   0.64723898  0.17775559  0.51661391
   0.89559780  0.11137130  0.88814224
   0.59691480  0.42942805  0.61994967
   0.79001146  0.36323116  0.80325662
   0.62851957  0.66039817 -0.00722587
   0.87471879  0.59368650  0.37491563
   0.58347058  0.89611669  0.14347709
   0.83757547  0.85872620  0.25831127
   0.63862910  0.65568095  0.48224301
   0.90137505  0.61129276  0.87884959
   0.62410822  0.95177461  0.66184689
   0.86463031  0.86975327  0.76704353
   0.10974714  0.08210047  0.11772078
   0.37130449  0.18273391  0.29085004
   0.10460519  0.33047364  0.04773892
   0.33472804  0.42743295  0.34912108
   0.55598346  0.35153899  0.22638303
   0.30256225  0.39293102  0.16943533
   0.29491843  0.09054219  0.46567652
   0.04725254  0.14266026  0.40552193
   0.10137788  0.06827113  0.58578020
   0.38967060  0.22672281  0.80146688
   0.17596303  0.30258139  0.52401693
   0.36714805  0.46373640  0.83811084
   0.44454363  0.39264765  0.65045515
   0.18124494  0.36012538  0.72076376
   0.32594638  0.16962463 -0.00870472
   0.04317665  0.19321787  0.90390285
   0.12684802  0.58123413  0.11793729
   0.38823650  0.67869961  0.27958868
   0.11353762  0.82806477  0.04385214
   0.40386428  0.93133517  0.34324793
   0.41442664  0.87420029  0.15715607
   0.18826036  0.87221247  0.24325845
   0.29818325  0.66142541  0.44917481
   0.04460968  0.60685068  0.40076691
   0.14512241  0.55068962  0.58625269
   0.35584880  0.71919361  0.78570483
   0.09590967  0.81057683  0.51864026
   0.36058543  0.98219620  0.83726021
   0.46589446  0.90343059  0.66897970
   0.20725837  0.86119844  0.68789612
   0.28671360  0.64316912 -0.02408648
   0.03735597  0.64052072  0.93744414
   0.60683538  0.05267143  0.11298585
   0.83501588  0.19177868  0.28360493
   0.61083558  0.28549982  0.04473586
   0.82885544  0.44558147  0.35703921
   0.02803324  0.38739216  0.22464742
   0.78250695  0.40298519  0.15931275
   0.79024786  0.15459238  0.46429887
   0.54247868  0.13329518  0.43600455
   0.62366348  0.11447280  0.62580226
   0.83312386  0.20982894  0.80308083
   0.64436520  0.33918107  0.53170867
   0.90839435  0.46542471  0.82708539
   0.94883386  0.35863874  0.62756547
   0.68392778  0.39817733  0.71601677
   0.80704903  0.11651412  0.99199651
   0.56210896  0.10306071  0.92222165
   0.58296978  0.54321799  0.07988051
   0.84638480  0.70096802  0.29075668
   0.62594677  0.79327878  0.05926619
   0.88626597  0.94979729  0.35152170
   0.93256682  0.88022847  0.16574974
   0.67320038  0.88058651  0.23275329
   0.79616231  0.62404695  0.47418401
   0.54414984  0.57912754  0.40816152
   0.60341415  0.59134765  0.59189580
   0.90381614  0.71088065  0.78716547
   0.59758886  0.81344163  0.46791377
   0.91695625  0.95716968  0.85181689
   0.94002148  0.90168070  0.66045722
   0.70047457  0.89659510  0.76606869
   0.77341685  0.63284477  0.94828893
   0.53161266  0.64768390  0.90352886
   0.70938257  0.90813374  0.58539501
   0.67893683  0.87170959  0.47769308
   0.91817997  0.20501346  0.11418152
   0.73013915  0.40888803  0.35334846
   0.31212470  0.08991585  0.67326524
   0.25639758  0.70812389  0.75659987
   0.02566381  1.16581367  0.17027534
   0.15686255  1.00677213 -0.01539214
   0.68474388  0.35554197  0.87288162
   0.87662587  0.36241043  0.56579177
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873708    0.048192   -0.015829
    -0.000000   10.035106    0.236908
    -0.000000   -0.000000   13.762680
   Si   O    H 
    32    64    10
Direct configuration=   297
   0.14816660  0.15251145  0.00001366
   0.40060683  0.07916793  0.37974256
   0.14272696  0.42004796  0.14113203
   0.39299103  0.33552502  0.25846185
   0.15691340  0.15484694  0.49694698
   0.40705948  0.11627954  0.89614484
   0.11085719  0.39108652  0.61203215
   0.35151091  0.36185982  0.74920326
   0.14535433  0.67336529  0.02309007
   0.38772596  0.57992404  0.37192154
   0.09499187  0.90997025  0.14522046
   0.34942806  0.83304400  0.25740131
   0.14036443  0.65510860  0.49018365
   0.38193370  0.61114362  0.87514477
   0.08612993  0.91107312  0.61581991
   0.33298448  0.96710817  0.72093745
   0.64872581  0.13501922  1.01958551
   0.88613207  0.10689177  0.38193175
   0.63110952  0.39863220  0.12718667
   0.89274271  0.29416549  0.19902351
   0.64671379  0.17703286  0.51712357
   0.89567613  0.11016366  0.88845214
   0.59689030  0.43066596  0.62032811
   0.79042031  0.36307134  0.80248698
   0.62868926  0.66018979 -0.00792099
   0.87649136  0.59425565  0.37481211
   0.58310487  0.89576585  0.14320230
   0.83730664  0.85882089  0.25856200
   0.63715239  0.65666176  0.48278583
   0.90140809  0.61140291  0.87896554
   0.62291197  0.95383522  0.66107399
   0.86455673  0.86913245  0.76576373
   0.10987881  0.08343039  0.11675096
   0.37193066  0.18306038  0.29011051
   0.10514590  0.32964794  0.04733856
   0.33358012  0.42707804  0.34785910
   0.55351354  0.34938380  0.22552882
   0.30229434  0.39218796  0.16947064
   0.29590474  0.09132955  0.46681156
   0.04563873  0.14226416  0.40590530
   0.10063142  0.06831069  0.58448216
   0.39015167  0.22609974  0.79955123
   0.17478811  0.30296105  0.52401354
   0.36609248  0.46449402  0.83868654
   0.44498199  0.39385278  0.64943156
   0.18284305  0.35995861  0.72068116
   0.32649150  0.16949513 -0.00852544
   0.04312796  0.19352278  0.90483846
   0.12480847  0.57772885  0.11798950
   0.38972117  0.67865620  0.27986154
   0.11316262  0.82622453  0.04332881
   0.40460151  0.92923949  0.34110793
   0.41377317  0.87202605  0.15825607
   0.18798765  0.87203058  0.24368494
   0.29739038  0.66204121  0.44885697
   0.04301014  0.60521231  0.40073108
   0.14543583  0.55030468  0.58593973
   0.35593283  0.71845138  0.78598944
   0.09529862  0.81047627  0.51994891
   0.36040795  0.97995581  0.83726037
   0.46590952  0.90390581  0.66880272
   0.20697374  0.86142178  0.68854179
   0.28744725  0.64306819 -0.02353506
   0.03497672  0.64069692  0.93812303
   0.60619031  0.05321018  0.11389769
   0.83402519  0.19116371  0.28297025
   0.61097565  0.28509375  0.04438409
   0.82931721  0.44456770  0.35654779
   0.02845488  0.38801400  0.22566708
   0.78366791  0.40458668  0.15897751
   0.79104046  0.15547132  0.46366355
   0.54203888  0.13303121  0.43539761
   0.62352674  0.11626739  0.62419440
   0.83088457  0.20954870  0.80253263
   0.64397431  0.33820001  0.53151972
   0.90961785  0.46613387  0.82646848
   0.95050015  0.36014688  0.62620724
   0.68407953  0.39781591  0.71619886
   0.80669281  0.11623448  0.99241071
   0.56222918  0.10187700  0.92267433
   0.58360954  0.54086754  0.07944672
   0.84643480  0.69986670  0.29024018
   0.62484524  0.79228549  0.05866994
   0.88434102  0.95090468  0.35162370
   0.93026547  0.88183577  0.16618453
   0.67658096  0.88110625  0.23207296
   0.79653750  0.62491523  0.47413355
   0.54441092  0.57983296  0.40842689
   0.60331885  0.59088460  0.59009646
   0.90371520  0.71069725  0.78837025
   0.59680096  0.81360436  0.46720638
   0.91877603  0.95779874  0.85203691
   0.93933095  0.90240784  0.66042521
   0.70168978  0.89778263  0.76626636
   0.77557043  0.63255854  0.94868697
   0.53259727  0.64750457  0.90337604
   0.70518977  0.90925710  0.58629017
   0.67495851  0.86705733  0.47851535
   0.91965166  0.20147945  0.12245276
   0.73281790  0.41273217  0.35917842
   0.30766945  0.09251948  0.66636823
   0.25628758  0.70254063  0.75876885
   0.02365439  1.14892321  0.16724459
   0.14596816  1.01289300 -0.01778279
   0.67720243  0.35750915  0.87289066
   0.88375216  0.36474421  0.56850758
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872910    0.048765   -0.015362
    -0.000000   10.035143    0.236011
    -0.000000   -0.000000   13.761436
   Si   O    H 
    32    64    10
Direct configuration=   298
   0.14832995  0.15153147  0.00049664
   0.40096250  0.07928141  0.38087540
   0.14456885  0.41815460  0.14175904
   0.39405791  0.33560862  0.25836640
   0.15642885  0.15563336  0.49660741
   0.40707531  0.11793794  0.89707150
   0.11127443  0.39182369  0.61218749
   0.35084066  0.36135797  0.74846232
   0.14636680  0.67400053  0.02286304
   0.38731520  0.57993932  0.37144817
   0.09555943  0.90874735  0.14557441
   0.34832024  0.83276790  0.25676818
   0.14097634  0.65439901  0.48925280
   0.38015329  0.61217577  0.87630360
   0.08683770  0.90984778  0.61471298
   0.33292896  0.96801913  0.72033589
   0.64807019  0.13458648  1.02031382
   0.88683394  0.10707268  0.38076960
   0.63092177  0.39840249  0.12693751
   0.89329033  0.29473692  0.19945806
   0.64619705  0.17633362  0.51710258
   0.89521505  0.10974807  0.88899601
   0.59649689  0.43181421  0.62058861
   0.78992912  0.36361415  0.80201985
   0.62937495  0.66023163 -0.00807432
   0.87825407  0.59456690  0.37543393
   0.58241608  0.89593739  0.14258246
   0.83733990  0.85911639  0.25891535
   0.63628217  0.65783970  0.48340118
   0.90166341  0.61106027  0.87900338
   0.62111170  0.95536283  0.66062984
   0.86429302  0.86821843  0.76491465
   0.10956087  0.08402782  0.11636750
   0.37205691  0.18310822  0.28943815
   0.10571680  0.32855951  0.04702837
   0.33286035  0.42703595  0.34643125
   0.55028245  0.34728529  0.22494274
   0.30088642  0.39171081  0.16992534
   0.29652905  0.09176375  0.46782897
   0.04362931  0.14133224  0.40583155
   0.10033056  0.06761051  0.58383567
   0.39024537  0.22452437  0.79846062
   0.17380914  0.30426616  0.52428176
   0.36532267  0.46490411  0.83910257
   0.44600756  0.39337036  0.64861138
   0.18406112  0.35982474  0.72083105
   0.32673549  0.16932883 -0.00891874
   0.04315581  0.19308468  0.90571025
   0.12295344  0.57459005  0.11809720
   0.39024948  0.67874521  0.27973499
   0.11266819  0.82504446  0.04320098
   0.40432107  0.92693409  0.33929358
   0.41436886  0.87079241  0.15859363
   0.18751647  0.87215453  0.24416558
   0.29677870  0.66243442  0.44882344
   0.04122556  0.60357917  0.40093977
   0.14494790  0.54950585  0.58557529
   0.35504545  0.71759167  0.78610431
   0.09513250  0.81045493  0.52093785
   0.36048155  0.97750614  0.83742158
   0.46684814  0.90487353  0.66905371
   0.20675168  0.86334569  0.68947972
   0.28852324  0.64276581 -0.02351609
   0.03275801  0.64055329  0.93874581
   0.60589520  0.05338202  0.11515116
   0.83316077  0.19076108  0.28268712
   0.61124139  0.28458871  0.04350139
   0.82979263  0.44305637  0.35565627
   0.02878868  0.38849180  0.22651297
   0.78553288  0.40511257  0.15858014
   0.79176199  0.15580310  0.46362711
   0.54148554  0.13210363  0.43507058
   0.62338488  0.11796303  0.62297527
   0.82770735  0.20836223  0.80188393
   0.64291720  0.33758224  0.53145895
   0.90982434  0.46600798  0.82563259
   0.95244583  0.36103234  0.62452596
   0.68414661  0.39793632  0.71621056
   0.80641404  0.11538421  0.99299333
   0.56281602  0.10028571  0.92275753
   0.58435235  0.53862299  0.07876245
   0.84666744  0.69943555  0.28965927
   0.62339805  0.79200874  0.05754518
   0.88280630  0.95185316  0.35222051
   0.92833207  0.88346016  0.16600303
   0.67989302  0.88173778  0.23233731
   0.79710862  0.62559927  0.47427391
   0.54491339  0.58034397  0.40889826
   0.60264066  0.58970816  0.58832999
   0.90300957  0.71141966  0.78894316
   0.59644283  0.81427923  0.46697807
   0.92082408  0.95823574  0.85282797
   0.93927556  0.90371621  0.66026562
   0.70304438  0.89854437  0.76651769
   0.77699759  0.63259905  0.94956357
   0.53324034  0.64779242  0.90277465
   0.71037939  0.90458925  0.58819035
   0.67118602  0.86289596  0.47658740
   0.92172754  0.20071280  0.12949207
   0.74184159  0.41822824  0.36749110
   0.30224170  0.09338091  0.65981856
   0.26941948  0.69945405  0.76612106
   0.02581400  1.13402775  0.16174281
   0.14086601  1.01386142 -0.02040242
   0.66906975  0.35748883  0.87427671
   0.89307411  0.36560143  0.57433901
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872311    0.049224   -0.015258
    -0.000000   10.035057    0.234603
    -0.000000   -0.000000   13.760296
   Si   O    H 
    32    64    10
Direct configuration=   299
   0.14764572  0.15109248  0.00077380
   0.40139515  0.07931362  0.38202096
   0.14615385  0.41637293  0.14228924
   0.39497952  0.33578280  0.25789828
   0.15542241  0.15585224  0.49627728
   0.40710793  0.11941225  0.89817815
   0.11184674  0.39252688  0.61243778
   0.35043127  0.36136757  0.74737288
   0.14676295  0.67433373  0.02194037
   0.38696727  0.58011667  0.37079032
   0.09607206  0.90677212  0.14578395
   0.34672124  0.83153521  0.25627337
   0.14094554  0.65355940  0.48830124
   0.37860408  0.61323878  0.87718674
   0.08750113  0.90864236  0.61318578
   0.33289061  0.96837457  0.72035546
   0.64797472  0.13499017  1.02113705
   0.88749673  0.10729316  0.37964132
   0.63108861  0.39816184  0.12641013
   0.89470667  0.29584345  0.20034688
   0.64542987  0.17598837  0.51689212
   0.89547842  0.10950036  0.89017314
   0.59572500  0.43274023  0.62092264
   0.78921613  0.36374197  0.80164046
   0.62978759  0.65967201 -0.00787338
   0.88006606  0.59479625  0.37641744
   0.58169872  0.89617002  0.14198716
   0.83704438  0.85893963  0.25969809
   0.63545378  0.65877719  0.48380609
   0.90180977  0.61046971  0.87881371
   0.61961326  0.95634281  0.66012390
   0.86381479  0.86773889  0.76385980
   0.10890694  0.08420202  0.11663683
   0.37192541  0.18264298  0.28884989
   0.10582589  0.32800955  0.04630115
   0.33328324  0.42733539  0.34547943
   0.54754415  0.34526566  0.22460839
   0.29907550  0.39061894  0.17065942
   0.29656961  0.09172369  0.46883414
   0.04099331  0.13970112  0.40611571
   0.10030069  0.06698726  0.58387363
   0.39036010  0.22308085  0.79850153
   0.17252956  0.30658999  0.52455862
   0.36467561  0.46480027  0.83975351
   0.44561573  0.39311339  0.64813036
   0.18477967  0.35978187  0.72137335
   0.32674640  0.16963116 -0.00866767
   0.04274366  0.19224696  0.90681675
   0.12084831  0.57248503  0.11756450
   0.39023801  0.67766151  0.27946446
   0.11210113  0.82430430  0.04333226
   0.40451076  0.92502242  0.33836253
   0.41603522  0.86974573  0.15802911
   0.18671569  0.87230368  0.24405336
   0.29542466  0.66343664  0.44798069
   0.03944871  0.60246853  0.40142419
   0.14464937  0.55011813  0.58576412
   0.35547591  0.71656065  0.78594157
   0.09513356  0.81077479  0.52239210
   0.36050858  0.97552776  0.83693937
   0.46789720  0.90558333  0.66910252
   0.20659642  0.86565083  0.69051220
   0.29061098  0.64160911 -0.02355134
   0.03184526  0.64111847  0.93937359
   0.60624385  0.05313485  0.11614371
   0.83227132  0.19113508  0.28244445
   0.61108352  0.28436434  0.04282404
   0.82998586  0.44165269  0.35402910
   0.02924894  0.38815402  0.22726929
   0.78701688  0.40582461  0.15799210
   0.79208145  0.15572248  0.46427799
   0.54023398  0.13042098  0.43516392
   0.62367183  0.11885686  0.62279841
   0.82411079  0.20725521  0.80162479
   0.64214436  0.33703037  0.53118042
   0.90901992  0.46606419  0.82506106
   0.95420053  0.36175242  0.62321489
   0.68472335  0.39903693  0.71613835
   0.80739081  0.11487482  0.99287427
   0.56319184  0.09789046  0.92284299
   0.58548023  0.53648339  0.07794286
   0.84595300  0.69960261  0.28850020
   0.62140985  0.79231287  0.05649352
   0.88152137  0.95319574  0.35286501
   0.92808765  0.88483562  0.16541838
   0.68214698  0.88281691  0.23243006
   0.79853783  0.62752809  0.47462139
   0.54522981  0.58050496  0.40892642
   0.60157735  0.58789106  0.58641605
   0.90237200  0.71182151  0.78931431
   0.59568483  0.81383919  0.46651300
   0.92302735  0.95904819  0.85402253
   0.93798728  0.90425225  0.66024705
   0.70424570  0.89974576  0.76596976
   0.77847865  0.63281967  0.95014011
   0.53366988  0.64829539  0.90231943
   0.71489352  0.89979074  0.58828058
   0.68234794  0.86989247  0.47710472
   0.92768042  0.19704383  0.13194962
   0.74148586  0.42117771  0.37735048
   0.29702956  0.09424070  0.65715718
   0.26591479  0.69682785  0.76566065
   0.03653938  1.11916736  0.14954593
   0.13683025  1.00883719 -0.02441896
   0.66815509  0.35899198  0.87480896
   0.89300961  0.36704014  0.57135521
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871893    0.048913   -0.014825
    -0.000000   10.034778    0.233192
    -0.000000   -0.000000   13.759091
   Si   O    H 
    32    64    10
Direct configuration=   300
   0.14653620  0.15022588  0.00123757
   0.40190645  0.07953138  0.38307181
   0.14733409  0.41466995  0.14281845
   0.39587489  0.33623371  0.25715138
   0.15343357  0.15629888  0.49552297
   0.40742825  0.12049869  0.89838672
   0.11226381  0.39353383  0.61277132
   0.34994872  0.36142078  0.74658312
   0.14700533  0.67424385  0.02063839
   0.38715063  0.57962294  0.37021119
   0.09682799  0.90528202  0.14607342
   0.34547063  0.83067605  0.25590923
   0.14078506  0.65267538  0.48762187
   0.37750807  0.61463687  0.87825915
   0.08817751  0.90725020  0.61164273
   0.33223335  0.96901726  0.72002305
   0.64738814  0.13554543  1.02165965
   0.88733876  0.10784894  0.37875291
   0.63161527  0.39728857  0.12591186
   0.89538423  0.29679156  0.20124443
   0.64508932  0.17546933  0.51629067
   0.89651219  0.10976711  0.89116005
   0.59565641  0.43348368  0.62122991
   0.78803507  0.36369329  0.80177182
   0.63028674  0.65916180 -0.00722762
   0.88152586  0.59493757  0.37684649
   0.58080778  0.89641679  0.14109588
   0.83753964  0.85870180  0.26052875
   0.63446772  0.65972058  0.48352647
   0.90245069  0.60999078  0.87821552
   0.61811149  0.95644369  0.65985626
   0.86361601  0.86691339  0.76331918
   0.10969185  0.08349658  0.11748857
   0.37126756  0.18192699  0.28856414
   0.10628198  0.32739782  0.04569500
   0.33295682  0.42819449  0.34468610
   0.54505106  0.34391828  0.22386106
   0.29734926  0.38881191  0.17142459
   0.29651321  0.09150966  0.46978777
   0.03951259  0.13795906  0.40646376
   0.10147657  0.06649037  0.58368291
   0.39016852  0.22109204  0.79861472
   0.17156646  0.30950656  0.52484523
   0.36385373  0.46392939  0.84025091
   0.44429126  0.39251917  0.64806762
   0.18578623  0.35979951  0.72153840
   0.32659444  0.17012908 -0.00789703
   0.04233567  0.19045790  0.90762605
   0.11960154  0.57180096  0.11674091
   0.38984852  0.67726495  0.27839568
   0.11182235  0.82403389  0.04388481
   0.40480407  0.92358505  0.33797285
   0.41913670  0.86923972  0.15753927
   0.18566664  0.87183733  0.24405680
   0.29433963  0.66380219  0.44733754
   0.03830768  0.60121505  0.40154914
   0.14355190  0.55178466  0.58523174
   0.35645206  0.71599205  0.78548748
   0.09490716  0.81063514  0.52352936
   0.36022886  0.97384402  0.83639808
   0.46892616  0.90721860  0.66937109
   0.20601117  0.86774859  0.69139068
   0.29265760  0.64059447 -0.02386667
   0.03141863  0.64241195  0.93992722
   0.60636843  0.05246003  0.11710376
   0.83125397  0.19163530  0.28268897
   0.61050492  0.28428038  0.04283264
   0.83131577  0.44067682  0.35205821
   0.02988981  0.38713225  0.22856640
   0.78786136  0.40573934  0.15742526
   0.79211208  0.15585192  0.46503148
   0.53931001  0.12913220  0.43486441
   0.62377304  0.11852522  0.62282756
   0.82052559  0.20554358  0.80164743
   0.64063772  0.33596697  0.53102002
   0.90785241  0.46710214  0.82460135
   0.95571135  0.36221286  0.62233321
   0.68527740  0.40017193  0.71564834
   0.80846065  0.11406529  0.99257331
   0.56280379  0.09544669  0.92272561
   0.58691329  0.53535787  0.07585124
   0.84535218  0.70008277  0.28787105
   0.61969052  0.79229141  0.05507839
   0.88012628  0.95382528  0.35394404
   0.92848208  0.88653217  0.16424915
   0.68341784  0.88384454  0.23264015
   0.80012057  0.62934031  0.47479939
   0.54534419  0.58009243  0.40897752
   0.60032200  0.58604493  0.58464858
   0.90217395  0.71257412  0.78963039
   0.59618508  0.81418265  0.46611333
   0.92421964  0.95871779  0.85569510
   0.93653680  0.90451096  0.65985226
   0.70418897  0.90086500  0.76458650
   0.77922146  0.63301809  0.95038960
   0.53460359  0.64864022  0.90201763
   0.71799982  0.89752048  0.59008150
   0.68471767  0.86626913  0.47603693
   0.93388938  0.19552509  0.12823489
   0.73891258  0.41984507  0.38930426
   0.29708058  0.09169791  0.65812056
   0.25436485  0.69200770  0.76084103
   0.03007276  1.11417385  0.14796776
   0.13685939  1.00561363 -0.02720940
   0.66856726  0.36278700  0.87447643
   0.88892587  0.36732649  0.56373902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871465    0.048754   -0.014969
    -0.000000   10.034691    0.232359
    -0.000000   -0.000000   13.757834
   Si   O    H 
    32    64    10
Direct configuration=   301
   0.14546090  0.14918577  0.00145256
   0.40241504  0.07985424  0.38363267
   0.14795073  0.41341421  0.14318915
   0.39615196  0.33638718  0.25710951
   0.15117370  0.15561870  0.49428898
   0.40720415  0.12139546  0.89857723
   0.11284814  0.39479987  0.61300094
   0.34860093  0.36185936  0.74599764
   0.14708237  0.67310698  0.01908377
   0.38693729  0.57917494  0.36950012
   0.09698448  0.90453193  0.14612686
   0.34476559  0.83048168  0.25547087
   0.14079556  0.65228464  0.48689396
   0.37657285  0.61632368  0.87918038
   0.08864654  0.90674768  0.61056368
   0.33138800  0.96965597  0.71948447
   0.64705106  0.13600015  1.02207212
   0.88697572  0.10882700  0.37776244
   0.63214382  0.39654249  0.12547512
   0.89661144  0.29725470  0.20178439
   0.64472886  0.17485024  0.51600124
   0.89772688  0.11006147  0.89183818
   0.59634780  0.43360481  0.62157356
   0.78627445  0.36308472  0.80215190
   0.63071604  0.65843577 -0.00639904
   0.88264078  0.59500788  0.37714769
   0.58081486  0.89625384  0.14006771
   0.83801164  0.85889698  0.26126323
   0.63367749  0.66017439  0.48309805
   0.90343090  0.61011212  0.87771898
   0.61713847  0.95588173  0.65986254
   0.86319396  0.86617669  0.76278528
   0.11103124  0.08139054  0.11836963
   0.37092916  0.18084657  0.28853199
   0.10712647  0.32607046  0.04515898
   0.33298900  0.42920092  0.34355239
   0.54308755  0.34305953  0.22322871
   0.29681676  0.38692975  0.17224341
   0.29599685  0.09128839  0.47029166
   0.03817001  0.13706650  0.40708471
   0.10277804  0.06515683  0.58341477
   0.39048155  0.21966376  0.79876301
   0.17096246  0.31175943  0.52520457
   0.36282678  0.46267639  0.84100552
   0.44244891  0.39169697  0.64795360
   0.18666792  0.36023359  0.72140603
   0.32585193  0.17025534 -0.00730653
   0.04146667  0.18764064  0.90815562
   0.11852048  0.57124148  0.11604865
   0.38892563  0.67734726  0.27721189
   0.11194431  0.82380258  0.04449018
   0.40553040  0.92297347  0.33772570
   0.42164613  0.86957429  0.15731784
   0.18360076  0.87084046  0.24389449
   0.29346015  0.66381951  0.44687348
   0.03735900  0.60024668  0.40215588
   0.14214415  0.55386821  0.58485673
   0.35646782  0.71501830  0.78493689
   0.09478813  0.80996618  0.52431440
   0.36010235  0.97222991  0.83658528
   0.46904313  0.90846378  0.66857053
   0.20547007  0.86976571  0.69157800
   0.29481009  0.64008955 -0.02440127
   0.03104355  0.64345393  0.94041257
   0.60723768  0.05168769  0.11900759
   0.83037668  0.19225854  0.28275967
   0.60968541  0.28375984  0.04336910
   0.83100644  0.43950102  0.35009558
   0.03097031  0.38481933  0.22969029
   0.78856247  0.40502435  0.15755064
   0.79266546  0.15550867  0.46555615
   0.53857431  0.12782831  0.43438939
   0.62282340  0.11810649  0.62348183
   0.81781110  0.20381055  0.80137873
   0.63794717  0.33578286  0.53121995
   0.90569204  0.46776037  0.82387563
   0.95681487  0.36255528  0.62183181
   0.68635729  0.40159268  0.71525297
   0.80992441  0.11348132  0.99169303
   0.56327324  0.09285711  0.92246324
   0.58847024  0.53401161  0.07370718
   0.84509565  0.69981171  0.28706477
   0.61782877  0.79203030  0.05387437
   0.87841361  0.95312366  0.35461590
   0.92944441  0.88838868  0.16320505
   0.68430958  0.88429193  0.23256107
   0.80115171  0.63041458  0.47505634
   0.54503542  0.57929703  0.40915067
   0.59856309  0.58435884  0.58319176
   0.90270358  0.71370547  0.78955480
   0.59724353  0.81474129  0.46636273
   0.92527038  0.95856191  0.85637662
   0.93453327  0.90443929  0.65981233
   0.70391656  0.90166793  0.76287255
   0.78036683  0.63320075  0.95083352
   0.53530012  0.64907472  0.90158074
   0.71533149  0.89675735  0.59241464
   0.67885220  0.85807099  0.47213873
   0.93619834  0.20126958  0.12233509
   0.75228712  0.41684477  0.39647024
   0.29798100  0.08194727  0.66527222
   0.25811912  0.69208179  0.76089588
   0.00921240  1.11341411  0.15678289
   0.14483018  1.00310361 -0.03158342
   0.67191874  0.36973465  0.87455462
   0.89236889  0.36459049  0.56020705
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870934    0.049468   -0.015446
    -0.000000   10.034337    0.231245
    -0.000000   -0.000000   13.756859
   Si   O    H 
    32    64    10
Direct configuration=   302
   0.14422177  0.14865475  0.00131242
   0.40305415  0.07933703  0.38384105
   0.14776032  0.41149290  0.14366207
   0.39598333  0.33676166  0.25742420
   0.14876490  0.15492610  0.49327630
   0.40706412  0.12186103  0.89848914
   0.11356994  0.39590956  0.61385816
   0.34729341  0.36316286  0.74530368
   0.14689844  0.67138616  0.01812920
   0.38707007  0.57922038  0.36889745
   0.09710661  0.90446859  0.14634393
   0.34402492  0.83042990  0.25499017
   0.14065249  0.65255892  0.48602840
   0.37602730  0.61784016  0.88006796
   0.08842819  0.90618295  0.60968825
   0.33090863  0.96994339  0.71929331
   0.64733302  0.13638493  1.02238403
   0.88642345  0.10942811  0.37701287
   0.63332257  0.39634185  0.12505704
   0.89783371  0.29826807  0.20220599
   0.64474937  0.17475453  0.51584956
   0.89878757  0.11068734  0.89159724
   0.59676049  0.43347337  0.62219437
   0.78478110  0.36231679  0.80308538
   0.63160546  0.65813156 -0.00553858
   0.88453940  0.59508765  0.37722094
   0.58085649  0.89623082  0.13864011
   0.83861516  0.85894453  0.26211772
   0.63298810  0.66035469  0.48285109
   0.90386249  0.60967314  0.87739856
   0.61646965  0.95517564  0.66019546
   0.86334076  0.86556239  0.76197510
   0.11127536  0.07872152  0.11903753
   0.37041062  0.17980722  0.28843551
   0.10764034  0.32533846  0.04500587
   0.33395376  0.43045735  0.34239316
   0.54269992  0.34211381  0.22258458
   0.29758788  0.38553006  0.17295545
   0.29559849  0.09077275  0.47081992
   0.03679287  0.13686558  0.40741942
   0.10285369  0.06445767  0.58219270
   0.39130357  0.21971958  0.79900318
   0.17046198  0.31358211  0.52588390
   0.36229723  0.46119416  0.84181594
   0.44147151  0.39064745  0.64877717
   0.18746930  0.36061349  0.72086853
   0.32519533  0.17057208 -0.00689721
   0.04093977  0.18501550  0.90874557
   0.11807410  0.57092287  0.11471293
   0.38781561  0.67783863  0.27621126
   0.11312661  0.82399199  0.04488145
   0.40613000  0.92310071  0.33805370
   0.42402365  0.87048082  0.15689090
   0.18141247  0.86972639  0.24368414
   0.29268356  0.66308162  0.44655666
   0.03732450  0.59918243  0.40240088
   0.14044535  0.55578591  0.58409548
   0.35574955  0.71401847  0.78440281
   0.09449067  0.80773341  0.52480743
   0.35973162  0.97102544  0.83740690
   0.46936863  0.90979894  0.66775045
   0.20436327  0.87177218  0.69175894
   0.29628672  0.63906542 -0.02472485
   0.03052980  0.64459424  0.94058988
   0.60802843  0.05020858  0.12069017
   0.82982037  0.19279821  0.28230295
   0.60969292  0.28290264  0.04378183
   0.83020343  0.43889616  0.34890481
   0.03266970  0.38324339  0.23070502
   0.78933205  0.40475788  0.15786543
   0.79292383  0.15591571  0.46631795
   0.53777354  0.12725142  0.43389748
   0.62157777  0.11736901  0.62475335
   0.81448636  0.20215412  0.80177894
   0.63597007  0.33557315  0.53089087
   0.90392640  0.46837620  0.82333535
   0.95705618  0.36293241  0.62121039
   0.68690177  0.40332670  0.71500132
   0.81124370  0.11318958  0.99111698
   0.56380659  0.09049911  0.92182860
   0.59027125  0.53411027  0.07188261
   0.84519165  0.69926932  0.28610413
   0.61601305  0.79286325  0.05246563
   0.87648995  0.95209640  0.35472888
   0.93150080  0.89007345  0.16316579
   0.68444030  0.88456999  0.23247388
   0.80072813  0.63127260  0.47491199
   0.54433054  0.57877224  0.40860669
   0.59724963  0.58273981  0.58229733
   0.90247767  0.71350169  0.78897342
   0.59822856  0.81520570  0.46657991
   0.92635384  0.95780384  0.85728832
   0.93277717  0.90358734  0.65997281
   0.70282384  0.90304416  0.76095310
   0.78107857  0.63302409  0.95083953
   0.53493536  0.65003576  0.90043299
   0.71069772  0.89390717  0.59359150
   0.68388636  0.86233736  0.46694837
   0.93330237  0.21202092  0.11914133
   0.76905220  0.41573180  0.40132471
   0.29988818  0.08164440  0.66968413
   0.26828355  0.69030110  0.76233521
  -0.00921409  1.11468765  0.16368640
   0.15540123  1.00559290 -0.03322686
   0.67740186  0.37366875  0.87556431
   0.89909603  0.36095721  0.56081185
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870131    0.049588   -0.015895
    -0.000000   10.034037    0.229946
    -0.000000   -0.000000   13.755726
   Si   O    H 
    32    64    10
Direct configuration=   303
   0.14288191  0.14822806  0.00089412
   0.40353457  0.07881721  0.38355869
   0.14715214  0.40952268  0.14403525
   0.39516784  0.33645332  0.25840105
   0.14694687  0.15410892  0.49236687
   0.40664115  0.12228430  0.89786749
   0.11481804  0.39720064  0.61454840
   0.34604437  0.36363558  0.74492682
   0.14632743  0.66965633  0.01734027
   0.38689522  0.57894448  0.36835009
   0.09707890  0.90430783  0.14560447
   0.34314099  0.83033975  0.25473579
   0.14109109  0.65229981  0.48534998
   0.37628149  0.61935753  0.88058854
   0.08853159  0.90585373  0.60975085
   0.33094223  0.96979782  0.71924185
   0.64711983  0.13633073  1.02315023
   0.88538674  0.10993897  0.37653968
   0.63414386  0.39633194  0.12441396
   0.89888452  0.29957794  0.20284385
   0.64460002  0.17514242  0.51527299
   0.89945858  0.11120083  0.89155153
   0.59733468  0.43342628  0.62280078
   0.78342208  0.36202231  0.80413026
   0.63284076  0.65773388 -0.00478052
   0.88534743  0.59492641  0.37711770
   0.58127144  0.89567967  0.13732443
   0.83900947  0.85916449  0.26305620
   0.63255165  0.65986204  0.48228193
   0.90388298  0.60931480  0.87697610
   0.61657666  0.95399291  0.66041440
   0.86366920  0.86576038  0.76146587
   0.11145398  0.07548379  0.11944154
   0.36978962  0.17939912  0.28830253
   0.10832813  0.32392267  0.04513122
   0.33498127  0.43139324  0.34177366
   0.54431704  0.34107695  0.22103065
   0.29866532  0.38547550  0.17384531
   0.29535132  0.08989174  0.47125324
   0.03670254  0.13666013  0.40707997
   0.10140212  0.06261613  0.58137232
   0.39209621  0.22026570  0.79950728
   0.17033199  0.31404863  0.52664390
   0.36144253  0.45990565  0.84285314
   0.44108192  0.39051556  0.64993632
   0.18833668  0.36088842  0.72093601
   0.32496032  0.17044215 -0.00620723
   0.04039901  0.18272925  0.90943847
   0.11824629  0.57005035  0.11408780
   0.38625902  0.67740377  0.27552899
   0.11522327  0.82431056  0.04496846
   0.40610334  0.92316120  0.33811504
   0.42594831  0.87027705  0.15629042
   0.17907005  0.86941910  0.24353576
   0.29162068  0.66244982  0.44602273
   0.03836414  0.59845636  0.40314384
   0.13928727  0.55688472  0.58323562
   0.35552231  0.71400663  0.78414888
   0.09456714  0.80497203  0.52498466
   0.35927393  0.97033794  0.83815534
   0.46894493  0.91029860  0.66762834
   0.20248716  0.87334983  0.69146869
   0.29767048  0.63838888 -0.02494955
   0.02963770  0.64498239  0.94038444
   0.60830182  0.04873649  0.12214269
   0.82950747  0.19290447  0.28134124
   0.60942642  0.28256275  0.04466048
   0.83044746  0.43885624  0.34779730
   0.03479706  0.38145139  0.23081647
   0.78847412  0.40382334  0.15803962
   0.79304854  0.15610435  0.46768521
   0.53730947  0.12615064  0.43362813
   0.62111462  0.11641192  0.62536645
   0.81250754  0.20043777  0.80270724
   0.63340454  0.33575108  0.53066185
   0.90194748  0.46889362  0.82261097
   0.95609098  0.36267163  0.62066257
   0.68746506  0.40547575  0.71449001
   0.81220517  0.11265573  0.99079074
   0.56440321  0.08851436  0.92169874
   0.59176697  0.53582705  0.07006956
   0.84393861  0.69867349  0.28569998
   0.61503910  0.79412659  0.05098085
   0.87509107  0.95069294  0.35439005
   0.93277749  0.89118507  0.16355627
   0.68404637  0.88442893  0.23230694
   0.80020030  0.63206422  0.47510015
   0.54366593  0.57772172  0.40780138
   0.59635950  0.58190231  0.58147489
   0.90209547  0.71356708  0.78836747
   0.59930653  0.81488421  0.46674525
   0.92758773  0.95670338  0.85789375
   0.93203020  0.90229835  0.65988942
   0.70119648  0.90488033  0.75903096
   0.78184111  0.63204441  0.95092302
   0.53452037  0.65103157  0.89906403
   0.71027731  0.89073530  0.59281487
   0.68743479  0.86984491  0.45879421
   0.92932059  0.21944629  0.11899045
   0.78154996  0.40954134  0.40541572
   0.30034421  0.09451502  0.66909593
   0.27060833  0.68820809  0.76210400
  -0.01749689  1.11565246  0.16905302
   0.16695383  1.01465265 -0.03229231
   0.68139733  0.37622239  0.87644330
   0.90728296  0.35779770  0.56033143
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869569    0.049722   -0.016531
    -0.000000   10.033426    0.228610
    -0.000000   -0.000000   13.754500
   Si   O    H 
    32    64    10
Direct configuration=   304
   0.14180973  0.14706280  0.00042824
   0.40410417  0.07785297  0.38376887
   0.14578170  0.40809796  0.14444478
   0.39406714  0.33652698  0.25966285
   0.14538817  0.15354787  0.49189292
   0.40594759  0.12266768  0.89725945
   0.11615762  0.39870613  0.61516424
   0.34529330  0.36425866  0.74474690
   0.14607609  0.66787168  0.01651262
   0.38691565  0.57869499  0.36796448
   0.09662512  0.90495893  0.14435781
   0.34170176  0.83020528  0.25452450
   0.14139957  0.65215785  0.48494138
   0.37730776  0.62030198  0.88016697
   0.08814471  0.90580869  0.61011645
   0.33137825  0.96977085  0.71883339
   0.64662811  0.13640651  1.02345140
   0.88378460  0.11061374  0.37657388
   0.63459630  0.39673376  0.12361138
   0.90003339  0.30065439  0.20341535
   0.64460523  0.17562538  0.51463042
   0.89909707  0.11147528  0.89138175
   0.59707677  0.43312552  0.62315085
   0.78229184  0.36168746  0.80564694
   0.63358833  0.65713467 -0.00437273
   0.88590556  0.59526363  0.37690658
   0.58185814  0.89460952  0.13610053
   0.83928708  0.85944471  0.26359776
   0.63227039  0.65926077  0.48221162
   0.90441373  0.60890014  0.87692071
   0.61717059  0.95313817  0.66052332
   0.86421823  0.86615307  0.76126473
   0.11077541  0.07257536  0.12014850
   0.36845277  0.17936433  0.28751698
   0.10898020  0.32292897  0.04507376
   0.33643080  0.43245166  0.34115130
   0.54714175  0.34093512  0.21933714
   0.30002138  0.38493651  0.17439623
   0.29440097  0.08953661  0.47148340
   0.03734058  0.13763740  0.40694276
   0.10052108  0.06100800  0.58058178
   0.39194342  0.22100348  0.80040326
   0.17053863  0.31397791  0.52734087
   0.36171712  0.45907062  0.84360952
   0.44136450  0.38996797  0.65113082
   0.18883552  0.36136995  0.72038381
   0.32425044  0.17008339 -0.00582066
   0.04036004  0.18168821  0.90980109
   0.11824612  0.56929096  0.11344497
   0.38437861  0.67672851  0.27456136
   0.11736940  0.82547444  0.04471497
   0.40598928  0.92423196  0.33844610
   0.42743447  0.87014574  0.15579872
   0.17772204  0.86957942  0.24338018
   0.29078446  0.66114617  0.44552963
   0.03997358  0.59735858  0.40366691
   0.13787266  0.55795164  0.58200050
   0.35577956  0.71432741  0.78381808
   0.09474953  0.80149133  0.52585212
   0.35818720  0.96996117  0.83814272
   0.46760095  0.91010083  0.66758189
   0.19979323  0.87539482  0.69119906
   0.29822362  0.63855545 -0.02472458
   0.02938681  0.64551705  0.94024666
   0.60868987  0.04849464  0.12270027
   0.82968517  0.19326080  0.28054151
   0.60938149  0.28242976  0.04509999
   0.83091096  0.43967649  0.34689679
   0.03669068  0.38006338  0.23103391
   0.78817645  0.40398538  0.15878094
   0.79331989  0.15633570  0.46896652
   0.53741161  0.12471692  0.43382140
   0.62035097  0.11637640  0.62604266
   0.81164591  0.19865016  0.80354611
   0.63132860  0.33643569  0.53044090
   0.90012181  0.46849070  0.82153465
   0.95477198  0.36276399  0.61983686
   0.68822880  0.40742386  0.71388652
   0.81257005  0.11321618  0.99048681
   0.56515054  0.08704527  0.92186451
   0.59386244  0.53718104  0.06894037
   0.84273864  0.69797786  0.28529543
   0.61469923  0.79561856  0.04977379
   0.87413197  0.94950112  0.35396331
   0.93353189  0.89206350  0.16373823
   0.68327803  0.88495953  0.23183358
   0.79885102  0.63268752  0.47495593
   0.54369021  0.57640753  0.40642138
   0.59552933  0.58142521  0.58109495
   0.90208065  0.71379541  0.78756182
   0.60148259  0.81539026  0.46734743
   0.92885586  0.95592244  0.85831103
   0.93158653  0.90127514  0.65963044
   0.70026770  0.90688434  0.75759642
   0.78238980  0.63102929  0.95109642
   0.53438365  0.65220555  0.89794386
   0.70696347  0.88954928  0.59024053
   0.68245189  0.87319969  0.45379093
   0.92362429  0.22042214  0.11930707
   0.78842109  0.39628745  0.41123844
   0.30082472  0.10716424  0.66959835
   0.26094615  0.68494543  0.75905129
  -0.02343793  1.11929331  0.17061397
   0.17706317  1.01613272 -0.03227543
   0.68240876  0.37752489  0.87955343
   0.90886962  0.35316672  0.55859451
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869060    0.049839   -0.016899
    -0.000000   10.032953    0.227354
    -0.000000   -0.000000   13.753687
   Si   O    H 
    32    64    10
Direct configuration=   305
   0.14060734  0.14616843 -0.00017599
   0.40400216  0.07632917  0.38348559
   0.14406567  0.40721820  0.14433029
   0.39356438  0.33583380  0.26046279
   0.14450231  0.15376981  0.49170587
   0.40585389  0.12285048  0.89658123
   0.11681448  0.40061412  0.61581611
   0.34519322  0.36480930  0.74500851
   0.14552609  0.66606034  0.01561151
   0.38703692  0.57858124  0.36810060
   0.09568313  0.90580308  0.14321969
   0.34035550  0.83009890  0.25464591
   0.14193110  0.65186934  0.48481864
   0.37904230  0.62099732  0.87938345
   0.08688481  0.90581095  0.61040474
   0.33166443  0.97021559  0.71852890
   0.64690827  0.13578289  1.02378624
   0.88167592  0.11121814  0.37684479
   0.63521187  0.39696424  0.12272404
   0.90033373  0.30187383  0.20375754
   0.64455021  0.17671188  0.51414285
   0.89866353  0.11106661  0.89072123
   0.59630313  0.43259648  0.62297569
   0.78107151  0.36125556  0.80701185
   0.63399497  0.65674146 -0.00478602
   0.88530762  0.59611568  0.37600100
   0.58219815  0.89420435  0.13535034
   0.84037944  0.85963541  0.26334877
   0.63161325  0.65895498  0.48177869
   0.90451169  0.60879960  0.87691730
   0.61808362  0.95225229  0.66088296
   0.86500665  0.86723255  0.76131651
   0.10946639  0.06990548  0.12016124
   0.36693756  0.17924941  0.28683483
   0.10980164  0.32088374  0.04480778
   0.33837873  0.43342928  0.34140130
   0.54976677  0.34081788  0.21729160
   0.30190150  0.38533353  0.17445931
   0.29354835  0.08900168  0.47196314
   0.03783656  0.13913217  0.40655770
   0.09901707  0.06007443  0.58044624
   0.39223601  0.22168027  0.80105300
   0.17106814  0.31309897  0.52784145
   0.36168258  0.45809889  0.84472580
   0.44125256  0.38849689  0.65264266
   0.18915599  0.36132238  0.71986153
   0.32365023  0.16979264 -0.00583874
   0.03933561  0.18112407  0.91019964
   0.11880202  0.56852455  0.11265341
   0.38242062  0.67548596  0.27330191
   0.12008676  0.82706207  0.04422370
   0.40609538  0.92532100  0.33888158
   0.42798038  0.87010923  0.15566158
   0.17647248  0.86951848  0.24354039
   0.29067704  0.66007697  0.44521470
   0.04190558  0.59693551  0.40405957
   0.13628712  0.55804814  0.58115284
   0.35546887  0.71465416  0.78313170
   0.09520542  0.79802363  0.52678422
   0.35732352  0.97027825  0.83808321
   0.46591419  0.90947036  0.66752337
   0.19699177  0.87720700  0.69103963
   0.29755469  0.63932656 -0.02370909
   0.02939256  0.64526964  0.93937174
   0.60836040  0.04898294  0.12237071
   0.83041825  0.19294642  0.27977067
   0.60866904  0.28223778  0.04522224
   0.83056107  0.44061045  0.34699561
   0.03868836  0.37837574  0.23169448
   0.78843050  0.40474532  0.15942991
   0.79308483  0.15650284  0.46981334
   0.53805077  0.12348823  0.43404668
   0.61935876  0.11624884  0.62640273
   0.81121730  0.19686737  0.80478244
   0.63022130  0.33727032  0.52979563
   0.89893819  0.46854601  0.82097687
   0.95316336  0.36327984  0.61909181
   0.68881402  0.40979254  0.71344696
   0.81195474  0.11377387  0.99015017
   0.56626050  0.08572322  0.92187875
   0.59575881  0.53844460  0.06844672
   0.84172076  0.69771054  0.28510770
   0.61433034  0.79637742  0.04852471
   0.87381142  0.94885627  0.35402197
   0.93479229  0.89204223  0.16424319
   0.68239250  0.88466117  0.23091226
   0.79730600  0.63374351  0.47431557
   0.54295471  0.57502704  0.40500984
   0.59465319  0.58177916  0.58086227
   0.90205116  0.71396828  0.78650289
   0.60421373  0.81713607  0.46806694
   0.92918497  0.95489967  0.85839869
   0.93154841  0.90052464  0.65877448
   0.70023673  0.90838073  0.75632533
   0.78239967  0.62939523  0.95081129
   0.53480471  0.65386710  0.89692846
   0.70068618  0.89218396  0.58574950
   0.67757203  0.87270974  0.44968580
   0.92385578  0.21350141  0.11931338
   0.79705487  0.38395813  0.41080343
   0.29869099  0.11282797  0.67290689
   0.26024059  0.68663487  0.75930222
  -0.02530618  1.12711817  0.16272452
   0.18738938  1.01173696 -0.03086029
   0.67904208  0.38091472  0.88288063
   0.90635128  0.34987674  0.55098293
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.868251    0.050290   -0.017591
    -0.000000   10.032503    0.226641
    -0.000000   -0.000000   13.752974
   Si   O    H 
    32    64    10
Direct configuration=   306
   0.13969250  0.14609728 -0.00039960
   0.40365032  0.07436539  0.38296446
   0.14242193  0.40668169  0.14388281
   0.39315084  0.33540208  0.26112670
   0.14349380  0.15373313  0.49154000
   0.40636268  0.12250754  0.89614998
   0.11741227  0.40217886  0.61649421
   0.34559182  0.36503926  0.74566274
   0.14506542  0.66431795  0.01487499
   0.38751546  0.57923814  0.36827480
   0.09522984  0.90622122  0.14180759
   0.33930111  0.83068552  0.25440218
   0.14213671  0.65219256  0.48488663
   0.37983589  0.62110503  0.87835863
   0.08572591  0.90560217  0.61075472
   0.33186345  0.97104825  0.71862024
   0.64671185  0.13468066  1.02374893
   0.87884150  0.11178031  0.37735845
   0.63559422  0.39668009  0.12201062
   0.90021522  0.30316764  0.20389154
   0.64427872  0.17747711  0.51391095
   0.89803792  0.11066724  0.88960754
   0.59459327  0.43199256  0.62278665
   0.78013359  0.36042049  0.80820290
   0.63435744  0.65675957 -0.00474106
   0.88465178  0.59669863  0.37528765
   0.58310344  0.89307767  0.13428224
   0.84108283  0.85939054  0.26282748
   0.63086330  0.65835884  0.48162020
   0.90417827  0.60926938  0.87667661
   0.61881753  0.95155601  0.66118557
   0.86574608  0.86840855  0.76168346
   0.10822953  0.06736566  0.12001545
   0.36594486  0.17887697  0.28709568
   0.11025006  0.31928636  0.04485945
   0.33953026  0.43412635  0.34197540
   0.55148489  0.34149237  0.21582248
   0.30389130  0.38576074  0.17404889
   0.29298224  0.08871515  0.47142142
   0.03813741  0.14074946  0.40561660
   0.09764875  0.06003544  0.57979917
   0.39240213  0.22222592  0.80171621
   0.17096862  0.31142508  0.52762266
   0.36193418  0.45709409  0.84538645
   0.44099671  0.38698848  0.65424147
   0.18910675  0.36114259  0.71943485
   0.32244203  0.17056114 -0.00634173
   0.03842353  0.18083821  0.91085150
   0.11964203  0.56768734  0.11166411
   0.38087833  0.67388904  0.27187341
   0.12319953  0.82722877  0.04384070
   0.40641831  0.92694827  0.33946802
   0.42826309  0.87032363  0.15577871
   0.17496642  0.86891109  0.24335145
   0.29091458  0.66004215  0.44490383
   0.04398609  0.59631654  0.40417681
   0.13456155  0.55830350  0.58048776
   0.35405110  0.71516789  0.78215921
   0.09496608  0.79558169  0.52753021
   0.35695911  0.97108637  0.83787149
   0.46404238  0.90902858  0.66756420
   0.19511130  0.87897362  0.69082606
   0.29613508  0.64002981 -0.02218970
   0.02956857  0.64502797  0.93893424
   0.60824242  0.05109369  0.12166264
   0.83154140  0.19270712  0.27917930
   0.60759706  0.28288708  0.04521728
   0.83114723  0.44128884  0.34742521
   0.04008827  0.37674598  0.23222857
   0.78850333  0.40491999  0.15953828
   0.79260892  0.15624731  0.47006175
   0.53951446  0.12304200  0.43456638
   0.61857385  0.11670816  0.62696003
   0.81063448  0.19497883  0.80554458
   0.62904939  0.33872624  0.52911111
   0.89715017  0.46834522  0.82056335
   0.95195382  0.36337176  0.61854951
   0.68951403  0.41161297  0.71290999
   0.81053080  0.11457175  0.99003568
   0.56736191  0.08442722  0.92265985
   0.59768591  0.53948661  0.06816843
   0.84186641  0.69769116  0.28533126
   0.61356842  0.79656451  0.04705825
   0.87335191  0.94819250  0.35424195
   0.93568767  0.89184101  0.16515000
   0.68107069  0.88428553  0.23073253
   0.79628087  0.63454686  0.47358751
   0.54175749  0.57380600  0.40398013
   0.59427834  0.58265516  0.58121941
   0.90104083  0.71391328  0.78543951
   0.60732124  0.81757686  0.46897932
   0.92920956  0.95399157  0.85784529
   0.93241614  0.89989960  0.65760144
   0.70141598  0.90976059  0.75502043
   0.78312657  0.62819043  0.95000977
   0.53542719  0.65509303  0.89622578
   0.69710605  0.89670488  0.58186110
   0.67788013  0.87768127  0.44456644
   0.92544308  0.20796184  0.11962642
   0.81196358  0.37873310  0.40643314
   0.29680536  0.11149986  0.67820369
   0.26773187  0.69225194  0.76131194
  -0.02051823  1.13899076  0.15008222
   0.19052280  1.00297509 -0.02816155
   0.67719523  0.38274112  0.88767588
   0.90750404  0.34939355  0.54855641
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867904    0.050525   -0.017522
    -0.000000   10.032023    0.225533
    -0.000000   -0.000000   13.752539
   Si   O    H 
    32    64    10
Direct configuration=   307
   0.13948170  0.14557156 -0.00038407
   0.40286371  0.07234687  0.38188647
   0.14199056  0.40598558  0.14315481
   0.39320621  0.33408510  0.26216684
   0.14310124  0.15422661  0.49201828
   0.40639515  0.12283947  0.89569060
   0.11731026  0.40324809  0.61732452
   0.34557514  0.36479444  0.74717635
   0.14435382  0.66341411  0.01470044
   0.38719702  0.58051903  0.36861546
   0.09480646  0.90643689  0.14064859
   0.33856833  0.83208654  0.25407848
   0.14265379  0.65276772  0.48480249
   0.38113258  0.62142520  0.87788464
   0.08433380  0.90601729  0.61087961
   0.33149996  0.97266488  0.71870018
   0.64688731  0.13310158  1.02328597
   0.87669391  0.11223155  0.37781265
   0.63544854  0.39671124  0.12129053
   0.90001335  0.30456532  0.20388009
   0.64386051  0.17846350  0.51403885
   0.89745266  0.11079846  0.88873688
   0.59346937  0.43125320  0.62230835
   0.77936061  0.35911587  0.80950258
   0.63422176  0.65665264 -0.00474233
   0.88470850  0.59738247  0.37525858
   0.58393565  0.89189073  0.13339158
   0.84133161  0.85870578  0.26259680
   0.63036495  0.65734679  0.48129044
   0.90354629  0.60939751  0.87684188
   0.61958461  0.95121181  0.66114241
   0.86583256  0.86892897  0.76206668
   0.10719794  0.06478587  0.11980887
   0.36546392  0.17850016  0.28763672
   0.10999511  0.31732039  0.04542078
   0.34013113  0.43490662  0.34279907
   0.55237689  0.34246775  0.21445360
   0.30425391  0.38601380  0.17402267
   0.29162940  0.08817167  0.47103902
   0.03714510  0.14261235  0.40471558
   0.09612348  0.06063243  0.57963257
   0.39165153  0.22254502  0.80225797
   0.17045716  0.30995384  0.52698265
   0.36240558  0.45630392  0.84594304
   0.44027413  0.38527211  0.65496329
   0.18911529  0.36075759  0.71872859
   0.32160545  0.17102326 -0.00741742
   0.03762414  0.18151926  0.91129834
   0.12020930  0.56680123  0.11074987
   0.37952522  0.67341350  0.27007659
   0.12673974  0.82800021  0.04349346
   0.40602939  0.92725286  0.34050649
   0.42795636  0.87071098  0.15612005
   0.17337530  0.86780678  0.24320557
   0.29080984  0.65971314  0.44366209
   0.04552241  0.59581571  0.40347124
   0.13311104  0.55761046  0.57962505
   0.35225497  0.71646111  0.78111816
   0.09472521  0.79319089  0.52809446
   0.35669908  0.97267900  0.83754719
   0.46198743  0.90889917  0.66813099
   0.19449909  0.88019435  0.69090938
   0.29480768  0.64065800 -0.02093392
   0.03038031  0.64494284  0.93856399
   0.60822757  0.05263036  0.12120156
   0.83240844  0.19326567  0.27849138
   0.60745118  0.28390934  0.04492287
   0.83141492  0.44250201  0.34796909
   0.04099255  0.37468634  0.23303935
   0.78867174  0.40504890  0.15890734
   0.79254379  0.15606138  0.47025034
   0.54049519  0.12215936  0.43495578
   0.61839561  0.11716999  0.62795733
   0.81091618  0.19270855  0.80605977
   0.62749154  0.33979082  0.52890037
   0.89676645  0.46763623  0.82008772
   0.95009087  0.36221744  0.61784425
   0.69059106  0.41303690  0.71316647
   0.80884526  0.11468575  0.98995742
   0.56903919  0.08288327  0.92328998
   0.59936632  0.54091849  0.06846700
   0.84298253  0.69788153  0.28492614
   0.61331312  0.79744452  0.04572559
   0.87340826  0.94823322  0.35478198
   0.93549510  0.89139640  0.16618080
   0.68004567  0.88331417  0.23044583
   0.79510931  0.63494245  0.47245581
   0.54105646  0.57253348  0.40287784
   0.59394142  0.58353080  0.58216814
   0.90002520  0.71426883  0.78388131
   0.61041636  0.81864520  0.47008124
   0.92958225  0.95272626  0.85691453
   0.93370034  0.89934861  0.65673307
   0.70311771  0.91046983  0.75463235
   0.78317012  0.62671178  0.94942782
   0.53673996  0.65620899  0.89534557
   0.69586859  0.89783034  0.57899721
   0.67710391  0.88166564  0.44076169
   0.92813549  0.20082168  0.11866133
   0.82437908  0.37652381  0.39739983
   0.29543712  0.10815762  0.68320432
   0.26471871  0.69510331  0.76009221
  -0.01102232  1.14962802  0.13197616
   0.18781371  0.99956190 -0.02586722
   0.67699571  0.38268303  0.89067854
   0.91636228  0.35179349  0.55741967
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867419    0.050735   -0.017883
    -0.000000   10.031223    0.224007
    -0.000000   -0.000000   13.752101
   Si   O    H 
    32    64    10
Direct configuration=   308
   0.14053329  0.14437885 -0.00041323
   0.40221525  0.07152657  0.38085664
   0.14165473  0.40592041  0.14254918
   0.39381639  0.33293939  0.26259993
   0.14285352  0.15495754  0.49257897
   0.40636515  0.12307890  0.89507347
   0.11744803  0.40432467  0.61801912
   0.34519701  0.36425685  0.74866795
   0.14410542  0.66303578  0.01497151
   0.38677095  0.58145766  0.36872079
   0.09384833  0.90631610  0.13978500
   0.33816484  0.83342805  0.25391300
   0.14291678  0.65392339  0.48523373
   0.38202002  0.62121325  0.87721887
   0.08261315  0.90618646  0.61121649
   0.33143767  0.97389485  0.71882268
   0.64677855  0.13213100  1.02220859
   0.87512592  0.11229204  0.37824395
   0.63494492  0.39693606  0.12089317
   0.89920317  0.30545745  0.20395702
   0.64360530  0.17926262  0.51442618
   0.89648722  0.11092867  0.88798265
   0.59206638  0.43104786  0.62166813
   0.77802963  0.35799856  0.81026665
   0.63382027  0.65711453 -0.00452443
   0.88456681  0.59853879  0.37572234
   0.58459955  0.89140893  0.13268166
   0.84184070  0.85763902  0.26229745
   0.63000666  0.65595177  0.48115630
   0.90265733  0.60951280  0.87664137
   0.62020780  0.95144233  0.66069688
   0.86583694  0.86925566  0.76197606
   0.10658164  0.06297300  0.11949762
   0.36446033  0.17848385  0.28835530
   0.10985764  0.31540079  0.04640933
   0.33951200  0.43557413  0.34397164
   0.55268707  0.34299503  0.21417804
   0.30467775  0.38572276  0.17399332
   0.29050664  0.08702333  0.47062081
   0.03546600  0.14447273  0.40326787
   0.09538761  0.06123595  0.57977987
   0.39155772  0.22304173  0.80291199
   0.17009223  0.30927676  0.52621533
   0.36287269  0.45680686  0.84626247
   0.43934225  0.38342598  0.65529735
   0.18930378  0.36056211  0.71835502
   0.32047377  0.17122115 -0.00831483
   0.03633172  0.18220818  0.91223796
   0.12158712  0.56594262  0.10946181
   0.37822029  0.67343670  0.26793577
   0.13033608  0.82785457  0.04310567
   0.40472321  0.92677600  0.34142588
   0.42701368  0.87161266  0.15665740
   0.17275209  0.86650107  0.24285522
   0.28986353  0.65968145  0.44190515
   0.04642239  0.59439086  0.40315100
   0.13152961  0.55709372  0.57883955
   0.35088655  0.71772559  0.78067904
   0.09512564  0.79121831  0.52847404
   0.35657450  0.97591637  0.83747270
   0.46013018  0.90828079  0.66901952
   0.19468248  0.88062182  0.69140569
   0.29416446  0.64092011 -0.01962939
   0.03073557  0.64464501  0.93733377
   0.60839654  0.05363598  0.12090019
   0.83308629  0.19214975  0.27806950
   0.60756285  0.28488748  0.04464822
   0.83181203  0.44410135  0.34780254
   0.04192044  0.37286812  0.23322737
   0.78863027  0.40470785  0.15844644
   0.79202564  0.15498849  0.47018054
   0.54277755  0.12161223  0.43601026
   0.61781531  0.11683826  0.62850311
   0.81153145  0.19208945  0.80611257
   0.62618510  0.34083563  0.52844725
   0.89619716  0.46705000  0.81966493
   0.94845399  0.36216250  0.61750247
   0.69223789  0.41456657  0.71403918
   0.80670885  0.11456258  0.98963845
   0.57025383  0.08130496  0.92367898
   0.60116585  0.54187408  0.06916068
   0.84455471  0.69821423  0.28491232
   0.61325815  0.79833867  0.04392619
   0.87348075  0.94860734  0.35611961
   0.93544391  0.89112736  0.16720685
   0.67936630  0.88221470  0.23048401
   0.79461224  0.63508820  0.47124528
   0.54000230  0.57207518  0.40182552
   0.59365799  0.58380959  0.58314065
   0.89881891  0.71499122  0.78250688
   0.61240248  0.81987490  0.47118772
   0.93013445  0.95124203  0.85531569
   0.93383838  0.89918002  0.65583983
   0.70491186  0.91054749  0.75456317
   0.78328620  0.62496269  0.94931330
   0.53793904  0.65731202  0.89492862
   0.69688360  0.89836329  0.57786886
   0.67527040  0.87816495  0.43840003
   0.92526730  0.19515373  0.11814953
   0.83390268  0.36766135  0.39660535
   0.29889176  0.10383002  0.68581138
   0.25534553  0.69662569  0.75582825
   0.00282584  1.15368836  0.11797664
   0.18040483  1.00313335 -0.02383763
   0.68041362  0.38084194  0.89214603
   0.91428046  0.35245950  0.55399853
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867104    0.050629   -0.017649
    -0.000000   10.030897    0.222054
    -0.000000   -0.000000   13.751390
   Si   O    H 
    32    64    10
Direct configuration=   309
   0.14195649  0.14297782 -0.00036156
   0.40148220  0.07150892  0.38005150
   0.14127954  0.40667229  0.14209430
   0.39474185  0.33216146  0.26176686
   0.14254507  0.15556482  0.49279780
   0.40638194  0.12268841  0.89483563
   0.11749325  0.40510209  0.61823503
   0.34468527  0.36305119  0.75023740
   0.14340276  0.66295379  0.01559237
   0.38650406  0.58316409  0.36815639
   0.09264669  0.90534169  0.13942539
   0.33816684  0.83447496  0.25358006
   0.14306341  0.65496721  0.48575598
   0.38217226  0.62116876  0.87656239
   0.08058929  0.90645248  0.61132068
   0.33086358  0.97485857  0.71942443
   0.64681655  0.13160219  1.02084324
   0.87423596  0.11167672  0.37846916
   0.63480846  0.39779121  0.12085078
   0.89830906  0.30695134  0.20425649
   0.64363033  0.18074319  0.51499063
   0.89537695  0.11137490  0.88744962
   0.59152273  0.43115487  0.62090547
   0.77656296  0.35701633  0.81080241
   0.63327656  0.65698348 -0.00454291
   0.88463141  0.59931750  0.37655884
   0.58542305  0.89169320  0.13211263
   0.84256663  0.85702004  0.26183519
   0.63006878  0.65507125  0.48079379
   0.90194260  0.60930389  0.87629765
   0.62030896  0.95136031  0.66036516
   0.86615402  0.86923572  0.76189893
   0.10555223  0.06261421  0.11932688
   0.36403235  0.17808532  0.28942475
   0.10965873  0.31303672  0.04778287
   0.33918823  0.43528831  0.34484274
   0.55327622  0.34358483  0.21443105
   0.30434946  0.38645800  0.17335575
   0.28931832  0.08533265  0.47068724
   0.03427653  0.14566247  0.40176725
   0.09518933  0.06115093  0.57935854
   0.39064606  0.22356067  0.80348067
   0.17008477  0.30862291  0.52563961
   0.36360886  0.45825417  0.84628020
   0.43898948  0.38051208  0.65519122
   0.18911587  0.36010190  0.71879124
   0.31895286  0.17155635 -0.00920170
   0.03480207  0.18278895  0.91357467
   0.12201567  0.56472690  0.10824268
   0.37790360  0.67328489  0.26604383
   0.13324317  0.82790498  0.04296164
   0.40434018  0.92508084  0.34175713
   0.42487085  0.87214886  0.15796308
   0.17282547  0.86486055  0.24314853
   0.28909666  0.65992944  0.44015123
   0.04617691  0.59320574  0.40309519
   0.13021182  0.55523951  0.57831717
   0.34953507  0.71775051  0.77999130
   0.09565784  0.78964316  0.52871127
   0.35676600  0.97997253  0.83797693
   0.45894335  0.90762898  0.67025397
   0.19455452  0.88087551  0.69220392
   0.29381716  0.64093025 -0.01920456
   0.03160970  0.64486007  0.93570515
   0.60898171  0.05360033  0.12068833
   0.83452971  0.19099778  0.27797481
   0.60786558  0.28624508  0.04389176
   0.83219747  0.44562800  0.34793425
   0.04309045  0.37136363  0.23376770
   0.78872474  0.40444246  0.15758494
   0.79128399  0.15383353  0.47059713
   0.54537024  0.12082621  0.43660889
   0.61774893  0.11673775  0.62885339
   0.81272240  0.19163255  0.80606734
   0.62548903  0.34136807  0.52775279
   0.89676367  0.46566540  0.81888456
   0.94724588  0.36242522  0.61727632
   0.69374386  0.41637494  0.71542259
   0.80432137  0.11370877  0.98959795
   0.57137835  0.08065120  0.92375176
   0.60258671  0.54252352  0.07008205
   0.84632579  0.69838685  0.28464629
   0.61305130  0.79871469  0.04267838
   0.87258122  0.94910484  0.35753973
   0.93478168  0.89066468  0.16770269
   0.67855620  0.88121040  0.23031985
   0.79463398  0.63504639  0.46982830
   0.53920207  0.57211365  0.40073693
   0.59396811  0.58427703  0.58402842
   0.89714600  0.71565778  0.78094096
   0.61442431  0.82076612  0.47176916
   0.93072413  0.95022305  0.85341802
   0.93433019  0.89878544  0.65474330
   0.70674581  0.91057244  0.75458517
   0.78272769  0.62399963  0.94989238
   0.53953124  0.65881850  0.89522031
   0.70002408  0.90264538  0.57966340
   0.67721648  0.87322689  0.43557330
   0.92099898  0.19288757  0.11717833
   0.84123631  0.36393714  0.39625635
   0.30231340  0.10223984  0.68631759
   0.25521302  0.69927894  0.75023742
   0.01629321  1.15091444  0.10890637
   0.17292136  1.01215216 -0.02117700
   0.68683369  0.37702366  0.89233759
   0.90784690  0.35293556  0.54647703
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866808    0.050954   -0.017445
    -0.000000   10.030841    0.219820
    -0.000000   -0.000000   13.750914
   Si   O    H 
    32    64    10
Direct configuration=   310
   0.14368762  0.14195921 -0.00039547
   0.40099439  0.07248179  0.37981749
   0.14128260  0.40771372  0.14141888
   0.39528270  0.33182482  0.26137513
   0.14249838  0.15659634  0.49297252
   0.40648733  0.12282705  0.89479512
   0.11712412  0.40525473  0.61802468
   0.34382841  0.36213724  0.75206628
   0.14269625  0.66360571  0.01618360
   0.38615748  0.58475880  0.36777465
   0.09203167  0.90441860  0.13917168
   0.33838386  0.83487919  0.25343061
   0.14269133  0.65627166  0.48597375
   0.38281636  0.62121720  0.87577450
   0.07929764  0.90613148  0.61143453
   0.33039314  0.97558530  0.71997503
   0.64691459  0.13182675  1.01965976
   0.87316756  0.11098451  0.37806211
   0.63400970  0.39869660  0.12066459
   0.89747337  0.30803295  0.20511518
   0.64379183  0.18225923  0.51569267
   0.89393566  0.11107927  0.88704184
   0.59096517  0.43128132  0.62077764
   0.77507581  0.35613486  0.81078990
   0.63343519  0.65727614 -0.00496416
   0.88453065  0.59952876  0.37686144
   0.58608517  0.89176230  0.13204439
   0.84293278  0.85659776  0.26126515
   0.62958941  0.65423400  0.48067533
   0.90163764  0.60907691  0.87539273
   0.62061495  0.95179361  0.66007318
   0.86567318  0.86908773  0.76175862
   0.10458747  0.06313751  0.11893437
   0.36278903  0.17764608  0.29131209
   0.10954124  0.31196346  0.04894339
   0.33872313  0.43401890  0.34536346
   0.55312083  0.34469136  0.21496970
   0.30383543  0.38749561  0.17263254
   0.28820525  0.08290288  0.47073259
   0.03253703  0.14694179  0.40052678
   0.09508539  0.06160447  0.57853792
   0.39026212  0.22440816  0.80356251
   0.17050543  0.30875760  0.52545474
   0.36395719  0.46002472  0.84610805
   0.43841174  0.37850309  0.65556630
   0.18924231  0.36047314  0.71923253
   0.31669316  0.17140763 -0.01047751
   0.03391219  0.18239679  0.91468648
   0.12276881  0.56327776  0.10720480
   0.37742974  0.67319442  0.26439784
   0.13597591  0.82724144  0.04362233
   0.40327731  0.92371558  0.34233264
   0.42311639  0.87177987  0.15897851
   0.17353550  0.86344109  0.24383360
   0.28869584  0.66030862  0.43812670
   0.04518958  0.59088961  0.40284436
   0.12943336  0.55389162  0.57781717
   0.34805984  0.71706449  0.77921129
   0.09572400  0.78956358  0.52842726
   0.35662214  0.98414076  0.83884347
   0.45922326  0.90718562  0.67161805
   0.19423409  0.88059447  0.69301213
   0.29362755  0.64060606 -0.01896349
   0.03232254  0.64462557  0.93448760
   0.61010400  0.05364053  0.12044722
   0.83613725  0.19004314  0.27810134
   0.60831951  0.28788459  0.04273752
   0.83223994  0.44611657  0.34793579
   0.04391664  0.36995581  0.23447350
   0.78906025  0.40406246  0.15646375
   0.79027689  0.15332675  0.47082471
   0.54777516  0.11959063  0.43692090
   0.61832109  0.11694140  0.62878004
   0.81311375  0.19217437  0.80623215
   0.62608349  0.34120909  0.52706359
   0.89769997  0.46404949  0.81902470
   0.94550266  0.36291051  0.61605641
   0.69470687  0.41783485  0.71667515
   0.80273586  0.11202708  0.98985169
   0.57203741  0.08043441  0.92322589
   0.60403426  0.54267124  0.07175186
   0.84851545  0.69839316  0.28408353
   0.61266600  0.79873425  0.04111441
   0.87132438  0.94996008  0.35850374
   0.93328219  0.88970840  0.16838135
   0.67861865  0.87977300  0.23061493
   0.79507045  0.63540589  0.46846964
   0.53866933  0.57216738  0.39935685
   0.59397601  0.58528690  0.58545987
   0.89611993  0.71558019  0.77971341
   0.61480128  0.82150119  0.47196585
   0.93155033  0.94960933  0.85159066
   0.93448355  0.89824254  0.65355227
   0.70871852  0.91123207  0.75472946
   0.78161245  0.62319375  0.95093880
   0.54100229  0.66129933  0.89535059
   0.70253277  0.90791891  0.58051147
   0.68377635  0.87008739  0.43182151
   0.92382284  0.19224485  0.11855408
   0.84475723  0.37026282  0.39435799
   0.30399514  0.10806440  0.68156926
   0.26301824  0.70554554  0.75147566
   0.02348317  1.14336900  0.10621442
   0.16261205  1.00806057 -0.02024879
   0.69379891  0.37244747  0.89265242
   0.90460357  0.35615377  0.54766087
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866230    0.051494   -0.016701
    -0.000000   10.030905    0.217959
    -0.000000   -0.000000   13.750044
   Si   O    H 
    32    64    10
Direct configuration=   311
   0.14596911  0.14144187 -0.00047410
   0.39994202  0.07347626  0.37939829
   0.14210290  0.40864731  0.14090007
   0.39520275  0.33193911  0.26066520
   0.14206904  0.15762641  0.49264981
   0.40687714  0.12294004  0.89530440
   0.11626662  0.40517366  0.61764364
   0.34322386  0.36095156  0.75417896
   0.14227076  0.66425793  0.01663832
   0.38575847  0.58631855  0.36736960
   0.09186745  0.90352631  0.13866160
   0.33901390  0.83517895  0.25346467
   0.14214228  0.65753444  0.48634166
   0.38359927  0.62145439  0.87508349
   0.07813336  0.90608430  0.61111630
   0.33054020  0.97618641  0.72044052
   0.64723492  0.13212012  1.01880102
   0.87208004  0.11089503  0.37714463
   0.63278703  0.39939826  0.12028941
   0.89706900  0.30873922  0.20563452
   0.64379092  0.18334231  0.51719776
   0.89229336  0.11037128  0.88681662
   0.59049774  0.43149865  0.62075065
   0.77322832  0.35506719  0.81076534
   0.63332283  0.65719275 -0.00559006
   0.88442399  0.59912570  0.37666101
   0.58686683  0.89179939  0.13244822
   0.84350668  0.85713180  0.26092075
   0.62950651  0.65357701  0.48026782
   0.90088943  0.60900161  0.87446140
   0.62071661  0.95250049  0.65931855
   0.86547491  0.86875083  0.76160094
   0.10310627  0.06436563  0.11884947
   0.36215719  0.17657350  0.29333396
   0.10859593  0.31055185  0.04964924
   0.33940784  0.43280384  0.34520933
   0.55281869  0.34598891  0.21623482
   0.30369329  0.38812270  0.17189514
   0.28758804  0.08150038  0.47060307
   0.03072101  0.14860347  0.39940576
   0.09478463  0.06175544  0.57785829
   0.39057813  0.22461311  0.80377035
   0.17160539  0.30906064  0.52561745
   0.36475497  0.46238930  0.84597165
   0.43777468  0.37785648  0.65610113
   0.18887602  0.36162256  0.71979273
   0.31485560  0.17164115 -0.01161874
   0.03230377  0.18214098  0.91558038
   0.12255751  0.56161021  0.10653082
   0.37753482  0.67256353  0.26264986
   0.13895923  0.82592090  0.04447646
   0.40210682  0.92218930  0.34269752
   0.42245963  0.87135181  0.15951932
   0.17446567  0.86234605  0.24439631
   0.28847734  0.66091451  0.43662352
   0.04451015  0.58935868  0.40237082
   0.12872984  0.55183544  0.57803944
   0.34757088  0.71641588  0.77846762
   0.09517455  0.78992788  0.52854068
   0.35662565  0.98815331  0.83974261
   0.46000863  0.90676466  0.67305408
   0.19435447  0.88060858  0.69403375
   0.29539716  0.64021764 -0.01914562
   0.03340383  0.64497967  0.93295427
   0.61168383  0.05341421  0.12018599
   0.83778567  0.18899981  0.27805274
   0.60854284  0.28835833  0.04137507
   0.83143435  0.44579488  0.34773854
   0.04621740  0.36893961  0.23463474
   0.78945272  0.40374577  0.15515013
   0.78988245  0.15311648  0.47128565
   0.54948630  0.11904486  0.43699419
   0.61898428  0.11731248  0.62830695
   0.81306670  0.19331444  0.80591805
   0.62662530  0.34110261  0.52690643
   0.89952245  0.46207726  0.81954994
   0.94386899  0.36362169  0.61534955
   0.69474616  0.41890597  0.71756988
   0.80067852  0.11023578  0.99007113
   0.57269871  0.08026565  0.92251848
   0.60549436  0.54206794  0.07378952
   0.85094810  0.69779155  0.28388511
   0.61350650  0.79847581  0.04001522
   0.87048599  0.95090767  0.35923819
   0.93216814  0.88942965  0.16902152
   0.67908719  0.87835875  0.23060109
   0.79566214  0.63593952  0.46804953
   0.53808220  0.57149419  0.39874251
   0.59312986  0.58699626  0.58719128
   0.89460359  0.71541604  0.77931494
   0.61597627  0.82239137  0.47236668
   0.93225750  0.94915486  0.84930680
   0.93410570  0.89818553  0.65304349
   0.70988094  0.91188535  0.75516437
   0.77943488  0.62230649  0.95239755
   0.54237466  0.66355358  0.89581602
   0.70474972  0.90934450  0.58171982
   0.69114512  0.86547631  0.43200481
   0.92954062  0.19314297  0.12174045
   0.84536568  0.37667264  0.39218422
   0.30581549  0.11360309  0.67541749
   0.26189868  0.70742709  0.74905435
   0.02562763  1.13736075  0.11222881
   0.15299980  0.99901863 -0.02354701
   0.69693822  0.36605385  0.89819586
   0.90500328  0.36114347  0.55462285
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865798    0.052952   -0.015884
    -0.000000   10.030709    0.215376
    -0.000000   -0.000000   13.749400
   Si   O    H 
    32    64    10
Direct configuration=   312
   0.14812332  0.14099333 -0.00049669
   0.39934063  0.07398598  0.37891310
   0.14252288  0.40921181  0.14013920
   0.39484701  0.33129253  0.26013332
   0.14255614  0.15774064  0.49214780
   0.40789115  0.12248964  0.89542308
   0.11546833  0.40475511  0.61713606
   0.34217758  0.36027411  0.75654191
   0.14210044  0.66447241  0.01661646
   0.38524587  0.58824166  0.36674424
   0.09192591  0.90273359  0.13864631
   0.33944756  0.83471373  0.25388840
   0.14150494  0.65734375  0.48663245
   0.38446452  0.62172138  0.87458639
   0.07711467  0.90561071  0.61104651
   0.33026960  0.97700228  0.72049987
   0.64750102  0.13298846  1.01828649
   0.87155336  0.11145791  0.37563412
   0.63138015  0.39966326  0.12009224
   0.89671645  0.30852727  0.20608804
   0.64381860  0.18367010  0.51913458
   0.89082124  0.10930955  0.88647327
   0.58982603  0.43162943  0.62094888
   0.77190127  0.35489052  0.81054389
   0.63291769  0.65684378 -0.00554079
   0.88430079  0.59807341  0.37695266
   0.58736773  0.89220242  0.13307720
   0.84355184  0.85789543  0.26061754
   0.63011101  0.65323341  0.47999622
   0.90003218  0.60870900  0.87322215
   0.62116372  0.95322912  0.65862741
   0.86559299  0.86836932  0.76131758
   0.10157742  0.06603420  0.11885150
   0.36111488  0.17621299  0.29492988
   0.10747317  0.30953317  0.05029301
   0.34095330  0.43181476  0.34557666
   0.55192298  0.34767862  0.21785762
   0.30343823  0.38912258  0.17104896
   0.28760185  0.08100852  0.46961707
   0.02962874  0.15026991  0.39899529
   0.09461374  0.06124028  0.57722208
   0.39029132  0.22537732  0.80403151
   0.17203086  0.30869921  0.52553428
   0.36519784  0.46509886  0.84560040
   0.43700881  0.37724482  0.65632358
   0.18812274  0.36331534  0.71964368
   0.31315320  0.17137394 -0.01306901
   0.03049249  0.18248861  0.91599899
   0.12224517  0.56013975  0.10606681
   0.37804224  0.67270738  0.26173965
   0.14093545  0.82391792  0.04494007
   0.40108100  0.92050231  0.34259023
   0.42349318  0.87097867  0.15933900
   0.17611331  0.86128416  0.24441781
   0.28684396  0.66118995  0.43524717
   0.04332569  0.58884400  0.40215773
   0.12859173  0.55076804  0.57848295
   0.34761519  0.71601461  0.77805021
   0.09512957  0.79089135  0.52881297
   0.35654575  0.99187854  0.84036065
   0.46122363  0.90594557  0.67439558
   0.19524723  0.88060491  0.69502719
   0.29716273  0.63997601 -0.01998798
   0.03448638  0.64549827  0.93141553
   0.61361275  0.05318003  0.11910125
   0.83912920  0.18812061  0.27814067
   0.60847079  0.28833951  0.04025518
   0.83043373  0.44613738  0.34778142
   0.04794692  0.36722752  0.23450973
   0.79086966  0.40333604  0.15457338
   0.78849208  0.15262624  0.47173008
   0.55077486  0.11791366  0.43715785
   0.61911831  0.11776072  0.62851296
   0.81235658  0.19441182  0.80615983
   0.62702172  0.34151834  0.52654645
   0.90124382  0.46046848  0.81990844
   0.94286341  0.36520304  0.61542955
   0.69377881  0.42044442  0.71845654
   0.79892391  0.10821281  0.98999337
   0.57259720  0.08044433  0.92170638
   0.60709265  0.54172189  0.07585713
   0.85405494  0.69780656  0.28386740
   0.61451794  0.79834748  0.03900498
   0.86908571  0.95129289  0.35924446
   0.93115733  0.88921182  0.16900892
   0.68008054  0.87706914  0.23060383
   0.79570101  0.63601218  0.46769280
   0.53849840  0.57177314  0.39756084
   0.59157127  0.58880710  0.58809521
   0.89326464  0.71472999  0.77945738
   0.61731863  0.82272731  0.47255681
   0.93301364  0.94849937  0.84720049
   0.93356491  0.89850345  0.65350344
   0.70980768  0.91310734  0.75541755
   0.77787421  0.62152940  0.95411109
   0.54336999  0.66559827  0.89617626
   0.71047608  0.90938740  0.57956173
   0.69191313  0.86135312  0.43576574
   0.93570947  0.19816567  0.12866101
   0.84485846  0.37288913  0.39489953
   0.30830649  0.11426437  0.66932402
   0.25354796  0.70991560  0.74428360
   0.01959592  1.13507124  0.12504983
   0.14765175  0.99473768 -0.02870681
   0.69818227  0.36057967  0.90472441
   0.89914812  0.36517459  0.55663636
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865000    0.053704   -0.015330
    -0.000000   10.030442    0.213342
    -0.000000   -0.000000   13.748736
   Si   O    H 
    32    64    10
Direct configuration=   313
   0.14997429  0.14035728 -0.00038519
   0.39918475  0.07439180  0.37884873
   0.14350357  0.40935787  0.13927580
   0.39416905  0.33123017  0.25959093
   0.14327493  0.15750734  0.49108613
   0.40894475  0.12254288  0.89536564
   0.11441411  0.40416397  0.61682320
   0.34123401  0.35995901  0.75865260
   0.14243187  0.66527399  0.01616645
   0.38468784  0.59006437  0.36554745
   0.09188143  0.90228098  0.13889399
   0.33965193  0.83372815  0.25427560
   0.14039999  0.65638592  0.48647459
   0.38590027  0.62219291  0.87431217
   0.07612283  0.90474832  0.61039465
   0.32912398  0.97811586  0.72035806
   0.64748886  0.13364022  1.01791239
   0.87155483  0.11117571  0.37496232
   0.63035009  0.39946802  0.11981067
   0.89606584  0.30835142  0.20632959
   0.64420818  0.18331541  0.52087397
   0.88954026  0.10827635  0.88657329
   0.58913066  0.43120063  0.62168736
   0.77069073  0.35470417  0.81031595
   0.63233894  0.65711477 -0.00542609
   0.88446267  0.59647525  0.37731290
   0.58747334  0.89209495  0.13332620
   0.84277297  0.85859768  0.26035932
   0.63117866  0.65352284  0.47962277
   0.89885465  0.60903618  0.87268744
   0.62122767  0.95430207  0.65793757
   0.86585234  0.86830765  0.76084909
   0.10000522  0.06741326  0.11878002
   0.36051249  0.17602992  0.29608024
   0.10636506  0.30729273  0.05073420
   0.34209626  0.43030685  0.34667692
   0.55103981  0.34906986  0.21937723
   0.30260473  0.38959783  0.16977065
   0.28691979  0.08055562  0.46888575
   0.02925900  0.15141224  0.39915703
   0.09439303  0.06081974  0.57646483
   0.39149499  0.22552365  0.80485062
   0.17281115  0.30826667  0.52539293
   0.36533513  0.46750676  0.84476425
   0.43739256  0.37677912  0.65605348
   0.18674219  0.36423994  0.71970207
   0.31151404  0.17106590 -0.01428597
   0.02842398  0.18314011  0.91627997
   0.12152606  0.55977097  0.10609454
   0.37804999  0.67243769  0.26115930
   0.14265105  0.82220349  0.04500634
   0.40016198  0.91898702  0.34161101
   0.42542196  0.87060568  0.15855644
   0.17701375  0.86075167  0.24405199
   0.28507781  0.66180885  0.43404603
   0.04229338  0.58824465  0.40207077
   0.12911875  0.55035891  0.57835936
   0.34705712  0.71474806  0.77757336
   0.09468317  0.79291174  0.52899082
   0.35637637  0.99443191  0.84079756
   0.46291819  0.90426962  0.67572698
   0.19574472  0.88100821  0.69644230
   0.29868868  0.63892416 -0.02115904
   0.03487064  0.64548214  0.92994513
   0.61548280  0.05336428  0.11768223
   0.84060357  0.18674443  0.27833998
   0.60890769  0.28879666  0.03948995
   0.82939691  0.44567418  0.34752280
   0.04905027  0.36621292  0.23416830
   0.79123443  0.40326250  0.15341293
   0.78813078  0.15190829  0.47208140
   0.55139443  0.11649878  0.43704126
   0.61856230  0.11904154  0.62843033
   0.81080847  0.19514409  0.80573490
   0.62756470  0.34216708  0.52612538
   0.90274953  0.45893864  0.82036763
   0.94263707  0.36628538  0.61547612
   0.69264645  0.42184004  0.71859147
   0.79857048  0.10681859  0.98968244
   0.57185506  0.08072277  0.92026892
   0.60838762  0.54249438  0.07785036
   0.85696872  0.69792660  0.28404174
   0.61552265  0.79880535  0.03858484
   0.86851043  0.95103752  0.35887954
   0.93106790  0.88951526  0.16843228
   0.68133832  0.87632472  0.23050523
   0.79611759  0.63542525  0.46735558
   0.53914857  0.57223859  0.39666916
   0.59005158  0.59010278  0.58911031
   0.89184396  0.71374434  0.77987679
   0.61803066  0.82279726  0.47273215
   0.93434856  0.94902219  0.84557340
   0.93225828  0.89902300  0.65440811
   0.70878161  0.91449091  0.75583747
   0.77698045  0.62052898  0.95536624
   0.54325240  0.66668910  0.89615981
   0.71496080  0.90969193  0.57894379
   0.69496609  0.86234900  0.43822490
   0.93935634  0.20376596  0.13391343
   0.84225925  0.37029620  0.39762712
   0.30971474  0.11163538  0.66455338
   0.25532191  0.71598899  0.74281482
   0.01309343  1.13409180  0.14192939
   0.14374495  0.99660403 -0.03152139
   0.70090590  0.35435070  0.90966434
   0.88560114  0.37099581  0.54845904
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863786    0.053852   -0.015445
    -0.000000   10.030859    0.211412
    -0.000000   -0.000000   13.748003
   Si   O    H 
    32    64    10
Direct configuration=   314
   0.15136901  0.13951651 -0.00022622
   0.39912608  0.07431644  0.37964310
   0.14413332  0.40921338  0.13835100
   0.39354167  0.33122663  0.25902619
   0.14342389  0.15682955  0.48972324
   0.40987721  0.12236819  0.89541299
   0.11379073  0.40331924  0.61667469
   0.34073309  0.36030711  0.76047224
   0.14247989  0.66619571  0.01578222
   0.38444362  0.59159017  0.36379722
   0.09187794  0.90209461  0.13927477
   0.33964242  0.83283601  0.25461532
   0.13942650  0.65481934  0.48666161
   0.38743733  0.62301607  0.87425778
   0.07609245  0.90372285  0.60954050
   0.32755636  0.97920409  0.72036048
   0.64718180  0.13446763  1.01814718
   0.87200068  0.11087872  0.37476540
   0.63000205  0.39908126  0.12001685
   0.89618018  0.30821507  0.20665701
   0.64444715  0.18224497  0.52220037
   0.88868013  0.10716739  0.88683809
   0.58826892  0.43125899  0.62277210
   0.76991834  0.35384849  0.81070115
   0.63150184  0.65741113 -0.00560331
   0.88464703  0.59506707  0.37745099
   0.58788190  0.89182953  0.13326530
   0.84225509  0.85947017  0.26048779
   0.63309938  0.65432399  0.47930179
   0.89742851  0.60877723  0.87244529
   0.62146443  0.95508107  0.65723213
   0.86582063  0.86854911  0.76055781
   0.09854364  0.06861901  0.11918214
   0.36072898  0.17655107  0.29650406
   0.10576784  0.30545301  0.05106874
   0.34413000  0.42906652  0.34742693
   0.54918926  0.35036904  0.22012826
   0.30188679  0.38938687  0.16827945
   0.28638746  0.08060512  0.46811794
   0.02969352  0.15271787  0.39937892
   0.09441582  0.06018115  0.57583237
   0.39200800  0.22586252  0.80563098
   0.17366464  0.30797643  0.52481984
   0.36571971  0.46993199  0.84402584
   0.43807268  0.37623149  0.65595462
   0.18575116  0.36458823  0.71950333
   0.31031643  0.17039366 -0.01513129
   0.02641467  0.18387734  0.91660551
   0.12075255  0.56104037  0.10601285
   0.37841286  0.67272424  0.26125157
   0.14341905  0.82139249  0.04512140
   0.40016027  0.91728272  0.34120824
   0.42675340  0.87031110  0.15782723
   0.17816826  0.86008688  0.24345364
   0.28322609  0.66272343  0.43325963
   0.04170335  0.58800737  0.40212436
   0.13009607  0.55021291  0.57788809
   0.34596740  0.71297577  0.77710055
   0.09327316  0.79503688  0.52901957
   0.35583511  0.99698435  0.84063786
   0.46541908  0.90300939  0.67669029
   0.19601209  0.88117348  0.69776529
   0.30073854  0.63723262 -0.02235239
   0.03492707  0.64578707  0.92873168
   0.61704537  0.05376276  0.11650503
   0.84205375  0.18563143  0.27828001
   0.60912598  0.28845881  0.03865692
   0.82717751  0.44565212  0.34790215
   0.04917856  0.36506500  0.23446435
   0.79229200  0.40358683  0.15184718
   0.78761164  0.15170746  0.47235861
   0.55123771  0.11539357  0.43672865
   0.61820355  0.12012083  0.62813990
   0.80997803  0.19578568  0.80509680
   0.62761890  0.34251664  0.52583887
   0.90402892  0.45745782  0.82083364
   0.94246723  0.36674203  0.61639849
   0.69059927  0.42318876  0.71839000
   0.79903295  0.10628238  0.98976940
   0.56959489  0.08194158  0.92002941
   0.60898401  0.54330688  0.07929780
   0.85948735  0.69828104  0.28427125
   0.61657960  0.80005735  0.03846487
   0.86748184  0.95132372  0.35860940
   0.93133315  0.89034480  0.16748486
   0.68159566  0.87519273  0.23075354
   0.79623885  0.63418463  0.46773270
   0.54017371  0.57182829  0.39663413
   0.58894276  0.59093866  0.58972078
   0.89112313  0.71196642  0.78018712
   0.61857895  0.82238595  0.47246620
   0.93501223  0.95035646  0.84441116
   0.92916360  0.89933451  0.65567358
   0.70696995  0.91607467  0.75643512
   0.77683624  0.61986416  0.95628295
   0.54257887  0.66776957  0.89625448
   0.71864097  0.91017113  0.57766389
   0.69889804  0.86766124  0.44354773
   0.94178349  0.20992889  0.13321386
   0.84050564  0.37471888  0.39628498
   0.31088330  0.10328019  0.66509863
   0.26444459  0.72475708  0.74554668
   0.00963658  1.13179935  0.15485048
   0.14333812  1.00148171 -0.03414001
   0.70446630  0.35001776  0.90960228
   0.88020831  0.37663414  0.55056926
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862447    0.054282   -0.015538
    -0.000000   10.031277    0.209173
    -0.000000   -0.000000   13.746698
   Si   O    H 
    32    64    10
Direct configuration=   315
   0.15272677  0.13871619 -0.00001917
   0.39935246  0.07390720  0.38076231
   0.14559884  0.40918255  0.13739391
   0.39237248  0.33104017  0.25884828
   0.14335311  0.15626300  0.48872535
   0.40985682  0.12191084  0.89513230
   0.11294249  0.40198501  0.61654799
   0.34032195  0.36038545  0.76190369
   0.14259399  0.66627267  0.01548525
   0.38430221  0.59228241  0.36218811
   0.09162514  0.90206410  0.13987573
   0.34035616  0.83140624  0.25487801
   0.13830074  0.65312068  0.48672608
   0.38854319  0.62379139  0.87441958
   0.07651253  0.90286924  0.60872257
   0.32603183  0.97966397  0.72039117
   0.64671699  0.13498568  1.01823413
   0.87329653  0.11036184  0.37490258
   0.63007468  0.39912608  0.12044850
   0.89643049  0.30874207  0.20719353
   0.64424094  0.18120768  0.52302012
   0.88769087  0.10588382  0.88706474
   0.58792891  0.43098960  0.62341651
   0.76983128  0.35338440  0.81119739
   0.63053925  0.65751843 -0.00572214
   0.88477226  0.59325004  0.37772448
   0.58777910  0.89148541  0.13328497
   0.84094313  0.85959443  0.26086475
   0.63432308  0.65479472  0.47915456
   0.89609588  0.60804218  0.87261870
   0.62102563  0.95488522  0.65655049
   0.86545622  0.86846357  0.76048504
   0.09658792  0.07016501  0.11959919
   0.36058202  0.17849022  0.29653246
   0.10475009  0.30384377  0.05101932
   0.34574632  0.42714319  0.34818413
   0.54724891  0.35184824  0.22071674
   0.30164607  0.38989438  0.16739130
   0.28657839  0.08040889  0.46650695
   0.03061691  0.15421136  0.40010132
   0.09382269  0.05939614  0.57487542
   0.39210415  0.22628196  0.80655954
   0.17469024  0.30750437  0.52419996
   0.36618140  0.47246035  0.84300090
   0.43834241  0.37641112  0.65604252
   0.18508717  0.36531294  0.71891771
   0.31021829  0.17017003 -0.01637328
   0.02468616  0.18480401  0.91688705
   0.11965561  0.56228462  0.10583898
   0.37894616  0.67317634  0.26186581
   0.14443794  0.82018423  0.04563265
   0.39920878  0.91597767  0.34186475
   0.42776773  0.87092069  0.15740732
   0.17797600  0.86006616  0.24200416
   0.28129628  0.66386640  0.43301839
   0.04208763  0.58854568  0.40222628
   0.13081247  0.55098506  0.57749266
   0.34509220  0.71077393  0.77722039
   0.09153512  0.79705765  0.52859208
   0.35543500  0.99824147  0.84011350
   0.46779917  0.90126653  0.67726008
   0.19615584  0.88131820  0.69958815
   0.30249142  0.63528523 -0.02409941
   0.03502159  0.64632712  0.92783894
   0.61849030  0.05320784  0.11629984
   0.84374211  0.18437329  0.27798570
   0.60923925  0.28829278  0.03792636
   0.82485280  0.44530671  0.34810842
   0.04972875  0.36474375  0.23447572
   0.79418196  0.40403418  0.15060287
   0.78733676  0.15100980  0.47237243
   0.55014873  0.11449679  0.43672963
   0.61840443  0.12195881  0.62813982
   0.80940698  0.19539144  0.80351945
   0.62780218  0.34291046  0.52580426
   0.90476793  0.45626545  0.82163062
   0.94234066  0.36737750  0.61669216
   0.68840305  0.42448224  0.71804769
   0.79994828  0.10514681  0.98964225
   0.56675479  0.08248703  0.91967167
   0.60917419  0.54414593  0.08027610
   0.86200189  0.69826826  0.28442644
   0.61760982  0.80155789  0.03898381
   0.86584801  0.95126934  0.35833893
   0.93189543  0.89180658  0.16648010
   0.68193173  0.87325793  0.23086458
   0.79495826  0.63286274  0.46825078
   0.54137466  0.57230071  0.39700281
   0.58802545  0.59188382  0.59006657
   0.89102995  0.71047090  0.78088218
   0.61822879  0.82081979  0.47179092
   0.93511633  0.95223874  0.84398040
   0.92675746  0.90050571  0.65677633
   0.70517278  0.91734017  0.75677190
   0.77751790  0.61893936  0.95634704
   0.54166720  0.66829343  0.89621845
   0.71773379  0.91050705  0.57824786
   0.69875656  0.87030262  0.44869318
   0.94430714  0.20885217  0.12936960
   0.83918614  0.37910773  0.39783706
   0.30859525  0.09503541  0.66484096
   0.25943426  0.73210543  0.74581268
   0.01006477  1.12965336  0.16253066
   0.14556574  1.00577819 -0.03311854
   0.70752692  0.35079451  0.90841954
   0.88676686  0.37823019  0.56289166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861124    0.054681   -0.015805
    -0.000000   10.031627    0.206863
    -0.000000   -0.000000   13.745501
   Si   O    H 
    32    64    10
Direct configuration=   316
   0.15376111  0.13801864  0.00003896
   0.39957939  0.07341550  0.38189858
   0.14698893  0.40876424  0.13575672
   0.39060073  0.33188561  0.25923814
   0.14364072  0.15551562  0.48780741
   0.40983227  0.12129469  0.89483103
   0.11199239  0.40059325  0.61605272
   0.34025550  0.36102143  0.76303695
   0.14283872  0.66604650  0.01481892
   0.38443410  0.59255809  0.36040582
   0.09152119  0.90179320  0.14047526
   0.34114010  0.83001217  0.25494626
   0.13691605  0.65091780  0.48655461
   0.38943615  0.62464000  0.87491969
   0.07692372  0.90226381  0.60801796
   0.32430439  0.97957018  0.72033404
   0.64583378  0.13549781  1.01816022
   0.87494350  0.10972950  0.37524009
   0.63004028  0.39886161  0.12066989
   0.89719631  0.30848416  0.20816720
   0.64328511  0.18058412  0.52343249
   0.88731160  0.10454803  0.88705732
   0.58773258  0.43046062  0.62449231
   0.77031939  0.35285617  0.81134163
   0.62958914  0.65779776 -0.00599683
   0.88472106  0.59166772  0.37766486
   0.58745485  0.89130021  0.13359794
   0.83914404  0.85947152  0.26106024
   0.63554714  0.65479706  0.47891312
   0.89553751  0.60665348  0.87253731
   0.62067284  0.95425603  0.65567111
   0.86457815  0.86802274  0.76070350
   0.09495539  0.07238523  0.11978015
   0.36070772  0.18143216  0.29656736
   0.10410691  0.30285300  0.05118509
   0.34656181  0.42528847  0.34954458
   0.54616127  0.35397683  0.22068672
   0.30114624  0.39099795  0.16664591
   0.28730172  0.08064694  0.46506660
   0.03126499  0.15569823  0.40085836
   0.09269316  0.05877081  0.57452115
   0.39288367  0.22627197  0.80787126
   0.17551748  0.30639892  0.52388793
   0.36657647  0.47391634  0.84200792
   0.43881849  0.37623922  0.65636809
   0.18453305  0.36674897  0.71867881
   0.31080594  0.16980052 -0.01706661
   0.02406924  0.18657477  0.91667106
   0.11782069  0.56405430  0.10584069
   0.37929379  0.67286084  0.26268038
   0.14498032  0.81838450  0.04620651
   0.39918165  0.91525199  0.34266213
   0.42829184  0.87151635  0.15713925
   0.17827144  0.86029927  0.23987759
   0.27887138  0.66492453  0.43346538
   0.04272034  0.58913554  0.40238525
   0.13179021  0.55172705  0.57685634
   0.34506820  0.70865386  0.77733282
   0.08951004  0.79801742  0.52796498
   0.35456796  0.99937460  0.83873205
   0.47034807  0.90049597  0.67814671
   0.19563287  0.88077086  0.70082564
   0.30356638  0.63354056 -0.02563856
   0.03502687  0.64580303  0.92719572
   0.62085790  0.05264714  0.11601913
   0.84426498  0.18331823  0.27765524
   0.60894820  0.28813815  0.03750799
   0.82324552  0.44533172  0.34790264
   0.05042772  0.36453273  0.23485969
   0.79594565  0.40412662  0.14947127
   0.78747802  0.15015504  0.47176798
   0.54846786  0.11380095  0.43608967
   0.61838309  0.12340945  0.62860502
   0.80841910  0.19480842  0.80189207
   0.62809454  0.34379876  0.52595145
   0.90594163  0.45515823  0.82296783
   0.94368263  0.36852966  0.61665371
   0.68611893  0.42567434  0.71752869
   0.80071490  0.10437371  0.98985360
   0.56339339  0.08259600  0.91960533
   0.60869067  0.54508162  0.08088459
   0.86361115  0.69752680  0.28491464
   0.61855244  0.80320169  0.03960877
   0.86430301  0.95143369  0.35753560
   0.93306698  0.89318829  0.16593199
   0.68136459  0.87104917  0.23089780
   0.79415462  0.63084378  0.46859108
   0.54253285  0.57342520  0.39728747
   0.58646567  0.59318465  0.58998458
   0.89074532  0.70924382  0.78135563
   0.61829023  0.81887533  0.47079256
   0.93500448  0.95451316  0.84367449
   0.92417295  0.90192906  0.65816922
   0.70337363  0.91802784  0.75722100
   0.77765572  0.61807670  0.95634065
   0.54096240  0.66906400  0.89649364
   0.71231340  0.91332514  0.58384614
   0.69743868  0.86970655  0.45452139
   0.94545443  0.19986569  0.12293167
   0.83756545  0.37979525  0.40458627
   0.30593093  0.09188099  0.66354186
   0.25353347  0.74133855  0.74876260
   0.01324140  1.12955534  0.16416099
   0.14936730  1.00814069 -0.03124932
   0.70578588  0.35432369  0.90348665
   0.88801914  0.38092745  0.56699010
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859479    0.054432   -0.015880
    -0.000000   10.031714    0.205129
    -0.000000   -0.000000   13.744192
   Si   O    H 
    32    64    10
Direct configuration=   317
   0.15364433  0.13731245  0.00002207
   0.40072150  0.07266432  0.38312633
   0.14743559  0.40817715  0.13396940
   0.38900449  0.33260431  0.25970581
   0.14323830  0.15465142  0.48713612
   0.41024211  0.12082542  0.89458673
   0.11069539  0.39884703  0.61511590
   0.34047244  0.36221237  0.76387367
   0.14378527  0.66536448  0.01413953
   0.38487978  0.59242526  0.35904207
   0.09182521  0.90142903  0.14073674
   0.34211283  0.82873659  0.25449144
   0.13543237  0.64907018  0.48649879
   0.38937320  0.62593438  0.87527594
   0.07687179  0.90167290  0.60776697
   0.32268720  0.97940339  0.72058524
   0.64477961  0.13566555  1.01808890
   0.87697356  0.10909553  0.37573400
   0.62970636  0.39834615  0.12110322
   0.89850089  0.30830667  0.20886282
   0.64266241  0.18052590  0.52354076
   0.88696396  0.10336966  0.88710253
   0.58725305  0.43002321  0.62529833
   0.77084598  0.35285651  0.81146647
   0.62872082  0.65791008 -0.00582906
   0.88462021  0.59016638  0.37772323
   0.58737869  0.89160971  0.13423427
   0.83753500  0.85942188  0.26158142
   0.63713067  0.65465918  0.47905430
   0.89468565  0.60491271  0.87244700
   0.62043946  0.95452379  0.65503238
   0.86358772  0.86837007  0.76075389
   0.09340898  0.07338388  0.12002657
   0.36074340  0.18304432  0.29694737
   0.10299868  0.30143201  0.05127588
   0.34772439  0.42381938  0.35051093
   0.54544218  0.35562661  0.22057068
   0.30130918  0.39140806  0.16596963
   0.28819301  0.08171750  0.46426161
   0.03128037  0.15659825  0.40192817
   0.09172158  0.05755050  0.57457121
   0.39362927  0.22659952  0.80920603
   0.17586534  0.30651982  0.52351103
   0.36583946  0.47403686  0.84108739
   0.43867447  0.37639288  0.65693041
   0.18451636  0.36858909  0.71849605
   0.31201394  0.16944353 -0.01747800
   0.02397738  0.18781358  0.91647766
   0.11618658  0.56562798  0.10545099
   0.37910564  0.67306017  0.26352412
   0.14408377  0.81712968  0.04708260
   0.39922230  0.91419209  0.34344227
   0.42872486  0.87253726  0.15667819
   0.17878004  0.86041560  0.23761601
   0.27685797  0.66643849  0.43395828
   0.04262714  0.58960769  0.40325952
   0.13293227  0.55241465  0.57675976
   0.34428094  0.70705050  0.77710237
   0.08793564  0.79849144  0.52684967
   0.35357921  0.99999047  0.83718130
   0.47201777  0.90004679  0.67858186
   0.19505670  0.88124622  0.70213231
   0.30342817  0.63265097 -0.02630095
   0.03427726  0.64579876  0.92700278
   0.62253699  0.05169674  0.11591656
   0.84380543  0.18309261  0.27681312
   0.60830056  0.28859224  0.03694861
   0.82300089  0.44494752  0.34799116
   0.05055508  0.36453667  0.23457794
   0.79792197  0.40507900  0.14912387
   0.78801091  0.14913783  0.47101399
   0.54665788  0.11353592  0.43566923
   0.61719944  0.12463697  0.62933846
   0.80734650  0.19430355  0.80049295
   0.62879733  0.34439506  0.52596071
   0.90659469  0.45447284  0.82428583
   0.94582597  0.36921597  0.61729712
   0.68452813  0.42596572  0.71723787
   0.80155294  0.10420616  0.99021075
   0.56148969  0.08261992  0.92053544
   0.60838338  0.54669330  0.08113426
   0.86544110  0.69762532  0.28481402
   0.62028619  0.80480289  0.04010107
   0.86219891  0.95212903  0.35647465
   0.93295974  0.89426594  0.16507186
   0.68092379  0.86849796  0.23089992
   0.79392114  0.62895910  0.46941492
   0.54347288  0.57451314  0.39748139
   0.58465240  0.59433304  0.58985810
   0.89024948  0.70861317  0.78157598
   0.61784961  0.81659846  0.47026063
   0.93433537  0.95744080  0.84414799
   0.92262432  0.90407633  0.65902802
   0.70224483  0.91881411  0.75747902
   0.77805964  0.61785086  0.95646136
   0.54061926  0.66920764  0.89705898
   0.71182341  0.91384926  0.58683413
   0.69591089  0.86931486  0.45943220
   0.94142755  0.19465579  0.11826322
   0.83778913  0.38190710  0.40847173
   0.30077104  0.09732678  0.65962954
   0.25494100  0.74659944  0.75507804
   0.01666336  1.12942287  0.16068182
   0.15117976  1.00454805 -0.03320348
   0.70340999  0.36095061  0.89922620
   0.87938503  0.38881020  0.55625189
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858036    0.054191   -0.016020
    -0.000000   10.031933    0.202905
    -0.000000   -0.000000   13.743211
   Si   O    H 
    32    64    10
Direct configuration=   318
   0.15220803  0.13689775  0.00000859
   0.40161127  0.07154724  0.38438586
   0.14745538  0.40701284  0.13256287
   0.38739063  0.33354660  0.25986977
   0.14210719  0.15415421  0.48668143
   0.41071979  0.11996559  0.89420870
   0.10984559  0.39696224  0.61391389
   0.34027222  0.36332596  0.76405840
   0.14498259  0.66382924  0.01349595
   0.38507848  0.59164267  0.35860478
   0.09222402  0.90191476  0.14066662
   0.34298829  0.82792020  0.25410561
   0.13416517  0.64810675  0.48647199
   0.38883559  0.62746988  0.87513301
   0.07672692  0.90132579  0.60741909
   0.32160882  0.97911002  0.72097711
   0.64410551  0.13584896  1.01734314
   0.87876309  0.10815065  0.37672824
   0.62952659  0.39801218  0.12152261
   0.89948378  0.30760997  0.20925092
   0.64183165  0.18142757  0.52338374
   0.88727657  0.10202614  0.88686369
   0.58696920  0.43006929  0.62610820
   0.77184744  0.35318482  0.81137613
   0.62772573  0.65829897 -0.00608118
   0.88498472  0.58919017  0.37764733
   0.58752818  0.89287601  0.13482132
   0.83665418  0.85931469  0.26181720
   0.63821085  0.65369953  0.47937510
   0.89393126  0.60317350  0.87266964
   0.61998409  0.95535180  0.65495330
   0.86174106  0.86860284  0.76072836
   0.09238668  0.07306163  0.12057480
   0.36147063  0.18436022  0.29695174
   0.10223800  0.30058906  0.05104805
   0.34834335  0.42359736  0.35136178
   0.54472462  0.35736614  0.21992968
   0.30228604  0.39171220  0.16477740
   0.28863071  0.08286245  0.46339740
   0.03075145  0.15754745  0.40299986
   0.09160096  0.05508763  0.57487317
   0.39508249  0.22786021  0.81049010
   0.17598881  0.30631407  0.52351534
   0.36536441  0.47385806  0.84062349
   0.43821054  0.37615315  0.65766806
   0.18404857  0.36972955  0.71887862
   0.31373860  0.16879443 -0.01818521
   0.02388730  0.18866476  0.91640389
   0.11370145  0.56663823  0.10531999
   0.37874446  0.67333152  0.26379925
   0.14259048  0.81699053  0.04821373
   0.39957434  0.91380960  0.34449846
   0.42889507  0.87306875  0.15651182
   0.17885592  0.86066376  0.23641902
   0.27600414  0.66826596  0.43396011
   0.04338922  0.58998962  0.40389147
   0.13513313  0.55333291  0.57697666
   0.34330995  0.70637166  0.77749204
   0.08630892  0.79816323  0.52519245
   0.35278767  0.99971640  0.83558583
   0.47243053  0.90032181  0.67875016
   0.19386787  0.88166236  0.70297841
   0.30319993  0.63207297 -0.02662445
   0.03421998  0.64527427  0.92748510
   0.62357171  0.04971999  0.11656661
   0.84220873  0.18292368  0.27537979
   0.60777374  0.28819858  0.03636904
   0.82363042  0.44429701  0.34822822
   0.05055304  0.36464705  0.23378915
   0.79837829  0.40648548  0.14877810
   0.78907211  0.14822278  0.47034084
   0.54530635  0.11297872  0.43504198
   0.61592602  0.12533395  0.63031642
   0.80641140  0.19438907  0.79930944
   0.62895432  0.34458377  0.52611082
   0.90640265  0.45402789  0.82593934
   0.94676181  0.36973747  0.61701917
   0.68315436  0.42589437  0.71761127
   0.80142573  0.10483464  0.99100834
   0.56031429  0.08378048  0.92166312
   0.60877441  0.54849145  0.08146617
   0.86703481  0.69721415  0.28529809
   0.62161624  0.80655940  0.04075317
   0.86005366  0.95193763  0.35579159
   0.93330580  0.89618635  0.16444515
   0.68030379  0.86649190  0.23107517
   0.79489283  0.62680560  0.47021253
   0.54414703  0.57547954  0.39749198
   0.58317694  0.59524151  0.58984798
   0.89006016  0.70895427  0.78208194
   0.61745873  0.81471551  0.46938963
   0.93423361  0.96130370  0.84513785
   0.92129449  0.90540427  0.65953423
   0.70118582  0.91954353  0.75818516
   0.77878169  0.61689278  0.95659527
   0.54041166  0.66914630  0.89748398
   0.71848930  0.91107091  0.58175010
   0.69784713  0.87089958  0.46358237
   0.93606421  0.19427404  0.12145590
   0.83418899  0.38701185  0.40777194
   0.29701948  0.10021548  0.65882470
   0.25781432  0.74693435  0.76141683
   0.01708061  1.13324657  0.15230243
   0.15578038  0.99627513 -0.03156794
   0.69734085  0.36835378  0.89622249
   0.88258486  0.39310429  0.55333652
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856403    0.053849   -0.016992
    -0.000000   10.032232    0.200762
    -0.000000   -0.000000   13.742243
   Si   O    H 
    32    64    10
Direct configuration=   319
   0.15035810  0.13638095 -0.00020427
   0.40260467  0.07117523  0.38584375
   0.14761375  0.40572253  0.13123322
   0.38584711  0.33418938  0.25998175
   0.14151072  0.15362037  0.48627455
   0.41087105  0.11845295  0.89381056
   0.10877871  0.39523865  0.61229571
   0.34041581  0.36444811  0.76364803
   0.14619230  0.66279891  0.01306386
   0.38518330  0.59082300  0.35872983
   0.09244349  0.90262013  0.13997625
   0.34381418  0.82774876  0.25341954
   0.13305554  0.64720656  0.48700756
   0.38833567  0.62859920  0.87481299
   0.07601611  0.90189486  0.60728063
   0.32064221  0.97852144  0.72120934
   0.64289369  0.13607413  1.01682740
   0.88022522  0.10738110  0.37729073
   0.62926389  0.39704247  0.12232672
   0.90090876  0.30626672  0.21001063
   0.64101332  0.18250460  0.52280096
   0.88811489  0.10162067  0.88675909
   0.58673649  0.43035424  0.62646991
   0.77321622  0.35384069  0.81135463
   0.62767806  0.65864123 -0.00562773
   0.88541239  0.58797053  0.37706178
   0.58712580  0.89524470  0.13556552
   0.83600251  0.85840202  0.26196753
   0.63877285  0.65238372  0.47999124
   0.89323999  0.60129557  0.87298308
   0.61989674  0.95659748  0.65526150
   0.85985437  0.86809285  0.76124624
   0.09171999  0.07174442  0.12110750
   0.36270404  0.18469180  0.29726584
   0.10150124  0.29935179  0.05122739
   0.34910400  0.42375611  0.35233312
   0.54492726  0.35902973  0.21936867
   0.30319573  0.39255896  0.16403526
   0.28823691  0.08428508  0.46345613
   0.02945788  0.15749299  0.40320418
   0.09135673  0.05322499  0.57500667
   0.39573841  0.22964405  0.81153821
   0.17616138  0.30667797  0.52429676
   0.36570785  0.47410455  0.84049582
   0.43795353  0.37643703  0.65873095
   0.18321391  0.37024757  0.71910145
   0.31576133  0.16832746 -0.01882234
   0.02376804  0.18914167  0.91608655
   0.11146636  0.56720066  0.10564169
   0.37875063  0.67354386  0.26396128
   0.14083655  0.81762352  0.04891584
   0.39964186  0.91326097  0.34592534
   0.42862483  0.87330170  0.15632784
   0.17863031  0.86052498  0.23545940
   0.27594675  0.66970649  0.43321756
   0.04311296  0.59062600  0.40442947
   0.13731661  0.55372819  0.57725956
   0.34230994  0.70512100  0.77757608
   0.08522951  0.79730624  0.52353517
   0.35087134  0.99837803  0.83369596
   0.47183038  0.90093382  0.67929968
   0.19215544  0.88156737  0.70383256
   0.30286408  0.63194704 -0.02649448
   0.03409974  0.64460142  0.92778597
   0.62452401  0.04782871  0.11697877
   0.84094182  0.18215015  0.27375136
   0.60752312  0.28749371  0.03601718
   0.82444691  0.44372881  0.34814376
   0.05050298  0.36535925  0.23267131
   0.79865486  0.40758226  0.14866798
   0.79026316  0.14789526  0.46957045
   0.54433033  0.11248263  0.43486789
   0.61443145  0.12604684  0.63106509
   0.80592509  0.19406502  0.79868866
   0.62917137  0.34449408  0.52614556
   0.90645644  0.45383448  0.82772295
   0.94758325  0.37105503  0.61598096
   0.68277423  0.42515380  0.71844267
   0.80209679  0.10530484  0.99183759
   0.55974906  0.08481946  0.92301101
   0.60860817  0.54984800  0.08179981
   0.86836964  0.69722746  0.28612262
   0.62273272  0.80811377  0.04144265
   0.85865254  0.95155702  0.35497144
   0.93385080  0.89751756  0.16404927
   0.67955979  0.86421919  0.23121067
   0.79571130  0.62425271  0.47096282
   0.54541611  0.57691158  0.39747582
   0.58161363  0.59702845  0.58912408
   0.88976696  0.70905048  0.78293802
   0.61721622  0.81249942  0.46789421
   0.93370366  0.96489367  0.84630199
   0.92166511  0.90667670  0.65930688
   0.70049267  0.91964599  0.75910456
   0.77839986  0.61625530  0.95694019
   0.53966201  0.66888687  0.89794419
   0.72413970  0.90919918  0.57677015
   0.69530385  0.87031401  0.46687511
   0.92957022  0.19344614  0.12827294
   0.83346524  0.38815372  0.40485168
   0.29630668  0.10173774  0.65850999
   0.25491642  0.74964315  0.76738811
   0.01248450  1.13862890  0.14374686
   0.15932362  0.99374403 -0.02823902
   0.69097684  0.37581780  0.89696271
   0.89379463  0.39757129  0.55823343
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854493    0.053227   -0.018263
    -0.000000   10.032464    0.198642
    -0.000000   -0.000000   13.741201
   Si   O    H 
    32    64    10
Direct configuration=   320
   0.14815163  0.13602579 -0.00093579
   0.40340941  0.07118729  0.38747569
   0.14766111  0.40440989  0.12971706
   0.38406811  0.33423988  0.26003414
   0.14180128  0.15343364  0.48635325
   0.41094552  0.11643986  0.89267054
   0.10776157  0.39383577  0.61074856
   0.34056418  0.36588557  0.76306986
   0.14711416  0.66207536  0.01249788
   0.38478127  0.58991129  0.35946022
   0.09264982  0.90287385  0.13963957
   0.34486697  0.82808963  0.25280514
   0.13222872  0.64706217  0.48762795
   0.38753348  0.62899106  0.87425649
   0.07541711  0.90250897  0.60786239
   0.32023902  0.97797236  0.72162127
   0.64203858  0.13601908  1.01621777
   0.88112536  0.10721181  0.37797084
   0.62876924  0.39589609  0.12299619
   0.90218592  0.30574362  0.21073292
   0.64078350  0.18297284  0.52239544
   0.88870181  0.10148594  0.88660914
   0.58635891  0.43054312  0.62654935
   0.77468070  0.35413348  0.81111555
   0.62834188  0.65843573 -0.00504154
   0.88565059  0.58713202  0.37588083
   0.58696713  0.89729699  0.13582824
   0.83575245  0.85727259  0.26155000
   0.63902062  0.65065015  0.48089488
   0.89322384  0.59986024  0.87343492
   0.61984925  0.95772496  0.65518366
   0.85774083  0.86857993  0.76163824
   0.09191563  0.07017039  0.12176388
   0.36471082  0.18362822  0.29729655
   0.10006364  0.29807221  0.05149168
   0.34929460  0.42477086  0.35394275
   0.54448694  0.35985974  0.21893473
   0.30395956  0.39239298  0.16333830
   0.28774795  0.08562180  0.46399693
   0.02847388  0.15695755  0.40327341
   0.08966563  0.05199484  0.57494301
   0.39579700  0.23114808  0.81204132
   0.17676218  0.30720833  0.52527416
   0.36614415  0.47505331  0.84082878
   0.43785292  0.37646311  0.65947181
   0.18293561  0.36995993  0.71933039
   0.31763032  0.16818389 -0.01935851
   0.02325896  0.18864608  0.91596520
   0.10875138  0.56744407  0.10591153
   0.37874020  0.67441950  0.26335424
   0.13870284  0.81707032  0.04938881
   0.40014099  0.91246129  0.34716250
   0.42817887  0.87322924  0.15608919
   0.17933969  0.85984748  0.23477781
   0.27652075  0.67110215  0.43292796
   0.04240434  0.59103164  0.40536375
   0.13916534  0.55259752  0.57758353
   0.34088665  0.70386914  0.77764114
   0.08423645  0.79656898  0.52199632
   0.34915677  0.99639333  0.83146579
   0.47068377  0.90159877  0.67961363
   0.18950718  0.88177549  0.70388688
   0.30191504  0.63313367 -0.02618560
   0.03350324  0.64397771  0.92782116
   0.62432710  0.04717152  0.11764397
   0.83927348  0.18118447  0.27182707
   0.60737218  0.28713100  0.03569133
   0.82546886  0.44361277  0.34803992
   0.05137896  0.36631822  0.23116288
   0.79821141  0.40817304  0.14825383
   0.79055210  0.14786398  0.46893115
   0.54435819  0.11269836  0.43529367
   0.61330880  0.12595912  0.63118979
   0.80531573  0.19332039  0.79852226
   0.62879039  0.34520527  0.52613742
   0.90590576  0.45375197  0.82884652
   0.94772191  0.37147526  0.61511637
   0.68275320  0.42343419  0.71932801
   0.80261628  0.10623788  0.99252387
   0.56019875  0.08527052  0.92394003
   0.60851207  0.55085532  0.08172950
   0.86863589  0.69688760  0.28660790
   0.62352695  0.80925989  0.04173891
   0.85760822  0.95084175  0.35432065
   0.93406144  0.89883308  0.16363927
   0.67949216  0.86229572  0.23119608
   0.79696885  0.62185360  0.47234331
   0.54592853  0.57764461  0.39736072
   0.58120941  0.59849071  0.58869292
   0.88988345  0.70902574  0.78314619
   0.61684024  0.81035706  0.46591299
   0.93328060  0.96778680  0.84733064
   0.92188280  0.90690889  0.65883256
   0.69890481  0.91961515  0.75963986
   0.77820067  0.61612775  0.95694540
   0.53978502  0.66878425  0.89796729
   0.71948530  0.90923735  0.57710896
   0.69162605  0.86936673  0.46750317
   0.92244520  0.19409355  0.13478620
   0.83305613  0.38288869  0.40517865
   0.29800680  0.09823793  0.66012540
   0.25361497  0.75358675  0.77219572
   0.00609918  1.14385047  0.13512919
   0.16120056  0.99831400 -0.02324382
   0.68273545  0.38202091  0.89557142
   0.90261469  0.40114863  0.56450364
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852892    0.052064   -0.019082
    -0.000000   10.032481    0.197190
    -0.000000   -0.000000   13.740240
   Si   O    H 
    32    64    10
Direct configuration=   321
   0.14623674  0.13589433 -0.00137186
   0.40404038  0.07046964  0.38881753
   0.14792464  0.40293703  0.12847119
   0.38168040  0.33436019  0.25964283
   0.14265152  0.15316557  0.48700368
   0.41134984  0.11435219  0.89171936
   0.10671916  0.39256540  0.60952118
   0.34090351  0.36697849  0.76210917
   0.14766701  0.66145629  0.01191469
   0.38424038  0.58854977  0.36102930
   0.09306528  0.90319137  0.13974901
   0.34590744  0.82907580  0.25195962
   0.13072663  0.64741246  0.48831924
   0.38725195  0.62872108  0.87409343
   0.07443732  0.90261013  0.60879554
   0.32064305  0.97699561  0.72180269
   0.64155356  0.13637140  1.01588642
   0.88147487  0.10686673  0.37871807
   0.62895405  0.39518883  0.12340130
   0.90369102  0.30516314  0.21149783
   0.64081169  0.18373063  0.52122623
   0.88876690  0.10213761  0.88676021
   0.58560559  0.43009111  0.62623059
   0.77585591  0.35434365  0.81079883
   0.62891314  0.65900649 -0.00429231
   0.88600691  0.58676607  0.37453982
   0.58673091  0.89927862  0.13621615
   0.83583197  0.85640819  0.26080061
   0.63909521  0.64832727  0.48181415
   0.89363860  0.59939588  0.87350176
   0.61938281  0.95876240  0.65503480
   0.85598132  0.86914728  0.76224670
   0.09224779  0.06915272  0.12250358
   0.36716009  0.18260188  0.29717824
   0.10000104  0.29791640  0.05183189
   0.34995760  0.42595841  0.35554188
   0.54465587  0.36057205  0.21847688
   0.30511124  0.39193461  0.16198956
   0.28666207  0.08687845  0.46507521
   0.02838468  0.15580303  0.40289205
   0.08831154  0.05182441  0.57436491
   0.39710957  0.23176281  0.81234621
   0.17726337  0.30692533  0.52619523
   0.36747045  0.47695411  0.84141227
   0.43803445  0.37676402  0.66032600
   0.18292773  0.37038778  0.71969110
   0.31935785  0.16769748 -0.01930898
   0.02239144  0.18738763  0.91652752
   0.10708453  0.56814304  0.10671381
   0.37893955  0.67497739  0.26191023
   0.13709519  0.81675843  0.04956436
   0.40038112  0.91254889  0.34827429
   0.42771162  0.87320059  0.15582837
   0.18026664  0.85986646  0.23457537
   0.27733283  0.67235007  0.43240874
   0.04128495  0.59085076  0.40529815
   0.14018500  0.55145518  0.57806192
   0.33995386  0.70269349  0.77789998
   0.08377434  0.79648283  0.52058965
   0.34770709  0.99427443  0.83032370
   0.46857555  0.90267744  0.67957984
   0.18711422  0.88222942  0.70387864
   0.29997642  0.63503569 -0.02560161
   0.03304336  0.64324393  0.92861813
   0.62340869  0.04729268  0.11749331
   0.83668598  0.18042696  0.27030975
   0.60659928  0.28759783  0.03611311
   0.82670592  0.44288011  0.34790806
   0.05315192  0.36723302  0.22912725
   0.79731184  0.40802743  0.14825253
   0.79005788  0.14801056  0.46841731
   0.54465143  0.11232402  0.43602164
   0.61194786  0.12536845  0.63145931
   0.80488942  0.19214732  0.79893892
   0.62859014  0.34665624  0.52618289
   0.90475938  0.45325546  0.82946933
   0.94865415  0.37115987  0.61516828
   0.68315263  0.42193878  0.72029930
   0.80303367  0.10661588  0.99279086
   0.56126876  0.08541319  0.92470011
   0.60777807  0.55191433  0.08174934
   0.86888567  0.69730769  0.28745325
   0.62422831  0.80952553  0.04167486
   0.85710494  0.95046737  0.35391011
   0.93365498  0.89888800  0.16357883
   0.67877629  0.85997681  0.23097990
   0.79903655  0.61961478  0.47368168
   0.54561498  0.57920165  0.39719910
   0.58112662  0.59899607  0.58786041
   0.88927614  0.70930933  0.78351598
   0.61649933  0.80869806  0.46347208
   0.93376202  0.96918897  0.84776079
   0.92233824  0.90715105  0.65811572
   0.69759421  0.92009980  0.76075146
   0.77825069  0.61592841  0.95691371
   0.53892031  0.66959175  0.89750595
   0.70926372  0.91233809  0.57892175
   0.68798957  0.87094901  0.46548297
   0.91801591  0.19191247  0.13816564
   0.82967085  0.37546201  0.40492247
   0.30224651  0.09242857  0.66586651
   0.25410845  0.75583749  0.77483367
  -0.00174003  1.14571997  0.12832758
   0.15617625  1.00041659 -0.01917303
   0.67819596  0.38253702  0.89514445
   0.89320276  0.41497778  0.55603751
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851456    0.051508   -0.019941
    -0.000000   10.032114    0.196258
    -0.000000   -0.000000   13.739320
   Si   O    H 
    32    64    10
Direct configuration=   322
   0.14408164  0.13673423 -0.00193486
   0.40468018  0.06967367  0.39026710
   0.14797851  0.40186377  0.12795321
   0.37957919  0.33466745  0.25902828
   0.14311022  0.15292527  0.48750745
   0.41106193  0.11289125  0.89092650
   0.10608787  0.39228852  0.60839313
   0.34084959  0.36765853  0.76121070
   0.14878115  0.66129935  0.01114435
   0.38320124  0.58705994  0.36246420
   0.09362912  0.90357504  0.13986406
   0.34678767  0.82995450  0.25083044
   0.12932712  0.64790729  0.48934156
   0.38659413  0.62848539  0.87352362
   0.07369061  0.90255633  0.60975157
   0.32133675  0.97613569  0.72172144
   0.64180352  0.13673396  1.01535702
   0.88110272  0.10614154  0.37935662
   0.62954878  0.39445237  0.12379625
   0.90524483  0.30557595  0.21211650
   0.64026889  0.18422764  0.51965839
   0.88799751  0.10352741  0.88687627
   0.58500458  0.42991814  0.62560675
   0.77691995  0.35456523  0.81024547
   0.62974849  0.65988687 -0.00354999
   0.88622035  0.58625968  0.37349223
   0.58670529  0.90075569  0.13597915
   0.83624582  0.85556736  0.26039752
   0.63839179  0.64689033  0.48315629
   0.89393846  0.59910132  0.87369464
   0.61868298  0.96017115  0.65442715
   0.85396559  0.86977923  0.76268927
   0.09289608  0.06833647  0.12350062
   0.37021098  0.18086217  0.29680414
   0.10091942  0.29704387  0.05124349
   0.34942565  0.42743847  0.35668219
   0.54461535  0.36085105  0.21729126
   0.30546920  0.39180810  0.16112848
   0.28615306  0.08835536  0.46562682
   0.02832137  0.15462342  0.40236193
   0.08653095  0.05290220  0.57391025
   0.39881319  0.23188858  0.81248686
   0.17765448  0.30628676  0.52717091
   0.36905323  0.47911471  0.84188333
   0.43809681  0.37799278  0.66200045
   0.18258439  0.37171653  0.71961361
   0.32014221  0.16809434 -0.01913294
   0.02173484  0.18564351  0.91697847
   0.10538206  0.56834617  0.10730167
   0.38041338  0.67513153  0.26048299
   0.13585745  0.81591277  0.04943777
   0.40042533  0.91319888  0.34937508
   0.42662857  0.87362366  0.15594406
   0.18119013  0.85878365  0.23404779
   0.27800306  0.67434389  0.43222290
   0.04059507  0.59093272  0.40469502
   0.14096870  0.55049556  0.57871135
   0.33866486  0.70246196  0.77804225
   0.08375665  0.79695183  0.51923718
   0.34686693  0.99231618  0.82997539
   0.46715971  0.90409542  0.67960442
   0.18420237  0.88297313  0.70377796
   0.29838887  0.63643574 -0.02550886
   0.03296590  0.64264511  0.92940370
   0.62292099  0.04838164  0.11696681
   0.83390826  0.17989706  0.26922762
   0.60632750  0.28830338  0.03628713
   0.82844274  0.44073754  0.34816069
   0.05502098  0.36802217  0.22784268
   0.79683267  0.40689440  0.14815811
   0.78941945  0.14862443  0.46877746
   0.54600750  0.11213530  0.43703771
   0.61013004  0.12477525  0.63096319
   0.80517154  0.19040533  0.79940708
   0.62880653  0.34852596  0.52619938
   0.90464405  0.45275250  0.82957479
   0.94859765  0.37178232  0.61534001
   0.68364844  0.42027885  0.72103484
   0.80375335  0.10649521  0.99255576
   0.56224106  0.08502383  0.92502971
   0.60587966  0.55298780  0.08163155
   0.86812915  0.69795668  0.28781535
   0.62513256  0.80923109  0.04182309
   0.85670753  0.95010343  0.35303071
   0.93302221  0.89821585  0.16371604
   0.67827088  0.85808409  0.23100458
   0.80033807  0.61700196  0.47471308
   0.54463408  0.58096835  0.39707074
   0.58099545  0.59783132  0.58689437
   0.88859845  0.70929165  0.78401314
   0.61523562  0.80748528  0.46134086
   0.93452962  0.96948709  0.84684230
   0.92263657  0.90669526  0.65694693
   0.69633689  0.91981344  0.76165852
   0.77882130  0.61479349  0.95645485
   0.53871184  0.66996968  0.89709476
   0.70074846  0.91659780  0.58252585
   0.68878565  0.87065836  0.46402434
   0.91826735  0.18377373  0.13294381
   0.82579734  0.37055069  0.39912879
   0.30478717  0.09161418  0.66745644
   0.25923989  0.75765296  0.77679084
  -0.00237031  1.14328471  0.12339844
   0.14637592  0.99849501 -0.01584252
   0.67800766  0.38121570  0.89172902
   0.89122038  0.42111126  0.55355236
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.849943    0.050429   -0.020753
    -0.000000   10.031853    0.195162
    -0.000000   -0.000000   13.738069
   Si   O    H 
    32    64    10
Direct configuration=   323
   0.14220323  0.13710505 -0.00256787
   0.40528233  0.06903556  0.39134167
   0.14798828  0.40168832  0.12780037
   0.37782084  0.33568611  0.25851354
   0.14310138  0.15338870  0.48811779
   0.41050881  0.11109737  0.89010546
   0.10596017  0.39221240  0.60787889
   0.34101777  0.36773638  0.76081834
   0.14954021  0.66120821  0.01037179
   0.38159640  0.58609999  0.36404613
   0.09466318  0.90374410  0.13989971
   0.34753759  0.83095029  0.24988939
   0.12861721  0.64909350  0.48973585
   0.38580999  0.62832809  0.87299723
   0.07299971  0.90295482  0.61061723
   0.32191614  0.97494391  0.72127074
   0.64258035  0.13721896  1.01450958
   0.88085694  0.10538220  0.37959356
   0.62996688  0.39472336  0.12405746
   0.90636687  0.30634660  0.21270432
   0.63981353  0.18473549  0.51791737
   0.88703959  0.10570511  0.88712177
   0.58421540  0.43043419  0.62498296
   0.77823995  0.35498658  0.80995106
   0.63103759  0.66061406 -0.00287228
   0.88645884  0.58639928  0.37256678
   0.58614755  0.90178956  0.13579623
   0.83644501  0.85434161  0.25969745
   0.63729068  0.64620296  0.48427341
   0.89466607  0.59906348  0.87363659
   0.61815770  0.96195927  0.65415869
   0.85278423  0.87016122  0.76327303
   0.09395695  0.06805365  0.12496414
   0.37342586  0.17905076  0.29689318
   0.10240827  0.29585401  0.05009748
   0.34796037  0.42827742  0.35759432
   0.54472053  0.36047658  0.21658632
   0.30546352  0.39167327  0.16026213
   0.28505971  0.08969121  0.46617972
   0.02875346  0.15379547  0.40200459
   0.08434025  0.05506763  0.57319512
   0.39963668  0.23254476  0.81256484
   0.17802383  0.30457858  0.52788429
   0.37119436  0.47991250  0.84266976
   0.43809763  0.37887549  0.66353083
   0.18260455  0.37288635  0.71963688
   0.32079640  0.16872522 -0.01887933
   0.02100572  0.18441962  0.91760412
   0.10350863  0.56813660  0.10811535
   0.38177140  0.67457065  0.25897907
   0.13464998  0.81425696  0.04932099
   0.40057365  0.91396712  0.35018023
   0.42591806  0.87410204  0.15585165
   0.18262762  0.85789376  0.23341106
   0.27839274  0.67619790  0.43199647
   0.03949910  0.59050352  0.40378754
   0.14211585  0.55034294  0.57981501
   0.33697299  0.70235218  0.77840535
   0.08329088  0.79810444  0.51791792
   0.34592586  0.98983150  0.83098717
   0.46473272  0.90521348  0.67970954
   0.18033407  0.88384313  0.70321614
   0.29698378  0.63685759 -0.02565124
   0.03290004  0.64180804  0.92999199
   0.62237438  0.05006520  0.11647305
   0.83127194  0.17983305  0.26910576
   0.60593627  0.28897700  0.03663172
   0.82987592  0.43755398  0.34815591
   0.05724068  0.36858513  0.22611036
   0.79532491  0.40523222  0.14847231
   0.78865677  0.14898048  0.46931487
   0.54774105  0.11212900  0.43802563
   0.60873290  0.12512204  0.63072334
   0.80520536  0.18809221  0.79981777
   0.62943861  0.34960156  0.52644509
   0.90428492  0.45192764  0.83005201
   0.94746957  0.37179266  0.61498721
   0.68398375  0.41866137  0.72148898
   0.80409809  0.10574987  0.99223374
   0.56307239  0.08448978  0.92499912
   0.60303210  0.55326436  0.08125368
   0.86756838  0.69863409  0.28820176
   0.62645789  0.80918745  0.04230796
   0.85659583  0.94978846  0.35253176
   0.93213951  0.89702028  0.16440808
   0.67748689  0.85695231  0.23107178
   0.80186782  0.61450556  0.47487434
   0.54388482  0.58278229  0.39640159
   0.58068443  0.59582197  0.58660024
   0.88844729  0.70970538  0.78475452
   0.61367274  0.80643160  0.45864965
   0.93465156  0.96931084  0.84554316
   0.92297502  0.90630538  0.65619252
   0.69571421  0.91942506  0.76188647
   0.78007200  0.61325678  0.95559461
   0.53774602  0.67091624  0.89662941
   0.70151707  0.92100444  0.58018866
   0.69143875  0.86628018  0.46421311
   0.91995327  0.17616653  0.12725086
   0.82562756  0.36384807  0.39511868
   0.30753415  0.09625248  0.66393695
   0.25929052  0.75992495  0.77348516
  -0.00358765  1.13638851  0.12124279
   0.13877653  0.99377403 -0.01618735
   0.67802950  0.37909656  0.88770581
   0.89827560  0.42192029  0.55733665
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848869    0.049390   -0.021791
    -0.000000   10.031590    0.193936
    -0.000000   -0.000000   13.737185
   Si   O    H 
    32    64    10
Direct configuration=   324
   0.14050606  0.13761215 -0.00313887
   0.40581606  0.06878388  0.39234396
   0.14765166  0.40186285  0.12799725
   0.37663209  0.33571642  0.25840143
   0.14257665  0.15363649  0.48904415
   0.41022591  0.10965265  0.88916369
   0.10581257  0.39220772  0.60727004
   0.34150625  0.36800581  0.76032775
   0.14954324  0.66082468  0.00974601
   0.38030325  0.58532000  0.36573107
   0.09503077  0.90410977  0.14009934
   0.34816825  0.83175089  0.24925361
   0.12827754  0.65002187  0.48992121
   0.38464118  0.62783464  0.87252007
   0.07284225  0.90358026  0.61108757
   0.32281914  0.97380037  0.72038584
   0.64326630  0.13749659  1.01380252
   0.88057300  0.10537628  0.37961921
   0.63031272  0.39504204  0.12404639
   0.90637895  0.30713329  0.21314162
   0.63931997  0.18461489  0.51645068
   0.88627873  0.10800408  0.88748700
   0.58353497  0.43072773  0.62439997
   0.77886104  0.35508188  0.80956897
   0.63186103  0.66116541 -0.00271830
   0.88604260  0.58666379  0.37161789
   0.58573083  0.90201970  0.13624583
   0.83702512  0.85313453  0.25889805
   0.63592308  0.64600275  0.48467230
   0.89512868  0.59882947  0.87408344
   0.61741343  0.96328596  0.65444205
   0.85220228  0.87091047  0.76352001
   0.09491053  0.06806319  0.12585775
   0.37559653  0.17769933  0.29700435
   0.10442599  0.29458748  0.04820925
   0.34650537  0.42895294  0.35842694
   0.54428998  0.35917472  0.21634386
   0.30569090  0.39068905  0.15983626
   0.28398841  0.09167786  0.46630428
   0.02968327  0.15365726  0.40142003
   0.08285597  0.05709908  0.57264135
   0.39992504  0.23362808  0.81251356
   0.17805081  0.30282904  0.52812818
   0.37316524  0.48139050  0.84249293
   0.43871599  0.37874883  0.66499075
   0.18217560  0.37419576  0.71925526
   0.32060327  0.16858297 -0.01878504
   0.02086031  0.18274801  0.91842202
   0.10345586  0.56786333  0.10865051
   0.38355382  0.67429525  0.25801601
   0.13368958  0.81287277  0.04947438
   0.40040401  0.91508297  0.35137526
   0.42607577  0.87504696  0.15578662
   0.18312461  0.85706231  0.23297167
   0.27830244  0.67775047  0.43230918
   0.03891153  0.58971582  0.40269970
   0.14279003  0.55127986  0.58100392
   0.33605884  0.70214480  0.77850913
   0.08197298  0.79904890  0.51675276
   0.34524195  0.98838326  0.83223757
   0.46295601  0.90615326  0.67975157
   0.17612349  0.88454562  0.70268989
   0.29626375  0.63706602 -0.02571763
   0.03266594  0.64126904  0.93071976
   0.62216608  0.05278421  0.11575460
   0.82884433  0.18016371  0.26930297
   0.60512049  0.28999648  0.03755576
   0.83127594  0.43355410  0.34784619
   0.05944255  0.36857678  0.22511552
   0.79353534  0.40287332  0.14914498
   0.78818326  0.15003721  0.46982514
   0.54942043  0.11152489  0.43924942
   0.60806824  0.12608560  0.63023253
   0.80543608  0.18633007  0.80095298
   0.62916118  0.35080235  0.52667749
   0.90534298  0.45066776  0.83070932
   0.94582351  0.37174844  0.61442439
   0.68495610  0.41662459  0.72159622
   0.80462776  0.10505766  0.99198146
   0.56386779  0.08327998  0.92500175
   0.60038538  0.55367528  0.08097681
   0.86666964  0.69938322  0.28889459
   0.62727673  0.80882681  0.04312839
   0.85692410  0.94898901  0.35186377
   0.93090141  0.89623703  0.16569216
   0.67805550  0.85610017  0.23117439
   0.80291403  0.61260644  0.47512138
   0.54336616  0.58402734  0.39555179
   0.58027711  0.59322362  0.58694299
   0.88720102  0.71041347  0.78566792
   0.61242622  0.80580358  0.45612142
   0.93474652  0.96855931  0.84436408
   0.92259560  0.90616192  0.65589073
   0.69529720  0.91922164  0.76228314
   0.78084467  0.61110322  0.95481632
   0.53638066  0.67186620  0.89674029
   0.70610955  0.92075071  0.57517348
   0.69489327  0.86264225  0.46363920
   0.92275723  0.17194217  0.12009343
   0.82485070  0.35819416  0.39415223
   0.30761444  0.09760928  0.66121786
   0.25202802  0.76263730  0.76983159
  -0.00449070  1.13069276  0.12350819
   0.13900774  0.99143367 -0.01709818
   0.67992386  0.37605575  0.88585971
   0.90778412  0.41643231  0.56338658
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847823    0.048301   -0.022823
    -0.000000   10.031340    0.192459
    -0.000000   -0.000000   13.736290
   Si   O    H 
    32    64    10
Direct configuration=   325
   0.13915816  0.13802646 -0.00330603
   0.40607262  0.06849497  0.39322149
   0.14803199  0.40262314  0.12801355
   0.37627330  0.33616970  0.25796801
   0.14226212  0.15472780  0.49059926
   0.40958414  0.10933088  0.88856789
   0.10580632  0.39267351  0.60739727
   0.34262887  0.36827481  0.76015960
   0.14884093  0.66066745  0.00980604
   0.37948592  0.58513922  0.36740998
   0.09508854  0.90439792  0.14036214
   0.34860068  0.83275268  0.24920033
   0.12858218  0.65104407  0.48967563
   0.38300307  0.62713531  0.87253695
   0.07267902  0.90433283  0.61121086
   0.32344743  0.97288051  0.71903233
   0.64438063  0.13787994  1.01340610
   0.87989222  0.10538365  0.37965748
   0.63066444  0.39648853  0.12387997
   0.90652577  0.30755309  0.21349016
   0.63912053  0.18455718  0.51581437
   0.88553014  0.11024456  0.88782250
   0.58286012  0.43044966  0.62421391
   0.77931907  0.35479462  0.80947750
   0.63231297  0.66224618 -0.00245781
   0.88536225  0.58649297  0.37049609
   0.58515824  0.90189881  0.13629695
   0.83767145  0.85203902  0.25823352
   0.63509064  0.64628382  0.48487408
   0.89585556  0.59937965  0.87464478
   0.61645861  0.96390786  0.65515294
   0.85209962  0.87181917  0.76313863
   0.09586614  0.06811851  0.12655314
   0.37695992  0.17701064  0.29722818
   0.10710597  0.29372774  0.04633532
   0.34610504  0.42833550  0.35872035
   0.54385937  0.35762850  0.21672713
   0.30629301  0.39056135  0.15916388
   0.28371001  0.09374993  0.46648499
   0.03103542  0.15342969  0.40137965
   0.08126711  0.05890100  0.57185492
   0.39996499  0.23456062  0.81208455
   0.17786578  0.29956729  0.52803138
   0.37534673  0.48248941  0.84222400
   0.43856246  0.37840134  0.66654404
   0.18164071  0.37591774  0.71839856
   0.31941972  0.16847450 -0.01883380
   0.02091637  0.18111803  0.91890232
   0.10340082  0.56750978  0.10906778
   0.38498629  0.67365867  0.25790088
   0.13326993  0.81196175  0.04973247
   0.39991727  0.91632634  0.35278913
   0.42696502  0.87565823  0.15534052
   0.18392712  0.85574359  0.23257024
   0.27786193  0.67871950  0.43271962
   0.03952952  0.58972077  0.40162366
   0.14398880  0.55265673  0.58187783
   0.33454618  0.70226334  0.77828563
   0.08174748  0.80045975  0.51544455
   0.34511359  0.98770563  0.83398499
   0.46121510  0.90705988  0.67908115
   0.17349889  0.88476401  0.70255782
   0.29651545  0.63713154 -0.02616600
   0.03243124  0.64146305  0.93147858
   0.62174068  0.05531506  0.11513853
   0.82687719  0.18009400  0.26961864
   0.60474638  0.29094720  0.03877902
   0.83297556  0.42937997  0.34756065
   0.06044761  0.36864529  0.22462598
   0.79137985  0.40029335  0.14985824
   0.78809311  0.15062939  0.47033391
   0.55030959  0.11088221  0.43973299
   0.60813183  0.12713351  0.62925073
   0.80544957  0.18557020  0.80195053
   0.62987104  0.35090853  0.52709726
   0.90641223  0.44952022  0.83121310
   0.94542130  0.37138107  0.61396868
   0.68558675  0.41452469  0.72070497
   0.80403327  0.10469833  0.99161538
   0.56362016  0.08169239  0.92493489
   0.59795640  0.55395522  0.08114660
   0.86568961  0.70034272  0.28949899
   0.62760270  0.80915882  0.04299953
   0.85744395  0.94780129  0.35205315
   0.92938788  0.89545616  0.16697269
   0.67881691  0.85450108  0.23067047
   0.80397690  0.61100265  0.47501124
   0.54245253  0.58530920  0.39503027
   0.58015548  0.59044345  0.58718990
   0.88585090  0.71147555  0.78607581
   0.61132599  0.80539338  0.45423694
   0.93486707  0.96708388  0.84311773
   0.92240381  0.90442346  0.65530962
   0.69531905  0.91886187  0.76297677
   0.78099409  0.61023121  0.95387851
   0.53522720  0.67259243  0.89732973
   0.70756029  0.92229839  0.57164527
   0.69730398  0.85553566  0.46105285
   0.91458430  0.17807059  0.11655819
   0.82202210  0.35729902  0.39201346
   0.30931201  0.09555295  0.65953544
   0.24986468  0.75956062  0.76762880
  -0.00275957  1.12552262  0.12881987
   0.13854373  0.99112978 -0.02078487
   0.68133527  0.37208951  0.88745874
   0.90365707  0.41811829  0.55917166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846820    0.047415   -0.023805
    -0.000000   10.031370    0.190401
    -0.000000   -0.000000   13.735875
   Si   O    H 
    32    64    10
Direct configuration=   326
   0.13825552  0.13806373 -0.00287240
   0.40641849  0.06774821  0.39352703
   0.14791442  0.40378583  0.12772290
   0.37631900  0.33676264  0.25837506
   0.14160586  0.15538710  0.49163289
   0.40875395  0.10876708  0.88829370
   0.10639493  0.39356598  0.60791333
   0.34293252  0.36858235  0.76055035
   0.14805811  0.66059387  0.01015316
   0.37891059  0.58518836  0.36893147
   0.09555838  0.90452282  0.14028429
   0.34894031  0.83314923  0.24934936
   0.12963075  0.65183345  0.48957174
   0.38123619  0.62611611  0.87227617
   0.07221507  0.90546800  0.61145281
   0.32374061  0.97247766  0.71768795
   0.64559691  0.13819950  1.01324314
   0.87902366  0.10542606  0.37910985
   0.63134393  0.39834779  0.12319815
   0.90609279  0.30813654  0.21365423
   0.63906554  0.18459064  0.51542031
   0.88522047  0.11225237  0.88840821
   0.58190932  0.43022236  0.62430610
   0.77927190  0.35487177  0.80918157
   0.63285697  0.66333307 -0.00266735
   0.88422896  0.58619825  0.36954581
   0.58510219  0.90147736  0.13664490
   0.83886455  0.85071987  0.25776073
   0.63433394  0.64688099  0.48498202
   0.89649803  0.59986801  0.87475319
   0.61576509  0.96511374  0.65542693
   0.85157296  0.87311690  0.76293120
   0.09721369  0.06799702  0.12679396
   0.37846002  0.17652278  0.29772878
   0.10994037  0.29332292  0.04464460
   0.34513051  0.42720195  0.35888846
   0.54248601  0.35620966  0.21753965
   0.30666853  0.39011732  0.15846624
   0.28421621  0.09535030  0.46719396
   0.03181468  0.15355311  0.40200403
   0.07969284  0.06065250  0.57190473
   0.39986507  0.23451623  0.81126917
   0.17739992  0.29754936  0.52821417
   0.37739598  0.48214682  0.84133013
   0.43863265  0.37829189  0.66743065
   0.18178661  0.37735294  0.71707740
   0.31813879  0.16805858 -0.01906454
   0.02171114  0.17885597  0.91991880
   0.10320513  0.56686530  0.10994150
   0.38675699  0.67316215  0.25829909
   0.13271999  0.81070813  0.04933275
   0.39919386  0.91835300  0.35417137
   0.42785493  0.87652057  0.15518953
   0.18588252  0.85423536  0.23219742
   0.27765369  0.67932612  0.43286157
   0.04005402  0.58985246  0.40049805
   0.14521847  0.55390205  0.58266815
   0.33214258  0.70340364  0.77807589
   0.08143900  0.80249042  0.51481162
   0.34472935  0.98617860  0.83643818
   0.46068182  0.90731459  0.67796895
   0.17188432  0.88573423  0.70247594
   0.29699171  0.63726373 -0.02657666
   0.03261567  0.64172666  0.93231586
   0.62175499  0.05762772  0.11424043
   0.82519934  0.17978238  0.27018253
   0.60409035  0.29133652  0.03995361
   0.83420828  0.42601958  0.34719349
   0.06110586  0.36885142  0.22528873
   0.78968136  0.39892246  0.15064954
   0.78836309  0.15150779  0.47132056
   0.55047813  0.11071360  0.44075525
   0.60717003  0.12877439  0.62857503
   0.80518955  0.18547434  0.80251823
   0.62955928  0.35057518  0.52683518
   0.90675282  0.44811760  0.83137702
   0.94481806  0.37066001  0.61379689
   0.68630382  0.41264687  0.71955301
   0.80252299  0.10465449  0.99102917
   0.56380271  0.08086959  0.92383409
   0.59618648  0.55329924  0.08154510
   0.86450730  0.70048026  0.28993262
   0.62874625  0.80981518  0.04284055
   0.85750451  0.94723769  0.35223519
   0.92926822  0.89433983  0.16805829
   0.67958107  0.85337660  0.22914848
   0.80511770  0.60986704  0.47506714
   0.54144968  0.58634716  0.39397029
   0.58031988  0.58767478  0.58801129
   0.88380788  0.71301984  0.78651212
   0.60956001  0.80520259  0.45253428
   0.93484287  0.96499895  0.84214050
   0.92100709  0.90243750  0.65526019
   0.69511154  0.91832714  0.76387005
   0.78071930  0.60946524  0.95298066
   0.53400062  0.67389563  0.89809552
   0.70515432  0.92488458  0.57119059
   0.69700491  0.84716370  0.46120219
   0.90341911  0.19344957  0.11669210
   0.81634483  0.35108614  0.39502841
   0.31039571  0.09073127  0.66162771
   0.25320308  0.75039545  0.76560544
  -0.00322111  1.12015880  0.13659922
   0.13795172  0.99607003 -0.02214537
   0.68070663  0.37020938  0.89051167
   0.89734414  0.42127528  0.55369546
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845672    0.046691   -0.024854
    -0.000000   10.031564    0.188248
    -0.000000   -0.000000   13.735443
   Si   O    H 
    32    64    10
Direct configuration=   327
   0.13766417  0.13766503 -0.00228462
   0.40626348  0.06744332  0.39315055
   0.14784098  0.40499965  0.12756728
   0.37745225  0.33703083  0.25887779
   0.14091150  0.15561643  0.49203240
   0.40831905  0.10921433  0.88812727
   0.10744938  0.39475850  0.60876532
   0.34246870  0.36879631  0.76104646
   0.14732554  0.66090426  0.01095707
   0.37816994  0.58581374  0.37008965
   0.09595593  0.90495158  0.14010294
   0.34917042  0.83369659  0.24982884
   0.13097017  0.65232453  0.48961808
   0.37918863  0.62548549  0.87224151
   0.07180493  0.90686341  0.61152628
   0.32413065  0.97191744  0.71688900
   0.64620564  0.13838199  1.01356237
   0.87841202  0.10529309  0.37818659
   0.63156109  0.40001336  0.12250713
   0.90577576  0.30838518  0.21381167
   0.63949452  0.18458731  0.51491092
   0.88483995  0.11410359  0.88923989
   0.58091287  0.43045657  0.62476639
   0.77820501  0.35403214  0.80894017
   0.63396275  0.66409921 -0.00249587
   0.88376043  0.58617369  0.36885514
   0.58542680  0.90114886  0.13654486
   0.83982478  0.84983747  0.25709119
   0.63383993  0.64733097  0.48467006
   0.89672502  0.60018457  0.87507148
   0.61479679  0.96549833  0.65573551
   0.85185978  0.87422474  0.76267262
   0.09845472  0.06813071  0.12721600
   0.37930000  0.17662370  0.29828352
   0.11276963  0.29387258  0.04380308
   0.34414994  0.42531682  0.35887640
   0.54019980  0.35500693  0.21841594
   0.30757383  0.39006114  0.15783780
   0.28461218  0.09597733  0.46733268
   0.03305575  0.15433150  0.40257432
   0.07828640  0.06189390  0.57239116
   0.39945756  0.23435940  0.81075634
   0.17659266  0.29651253  0.52862058
   0.37953657  0.48016046  0.83998712
   0.43900532  0.37833644  0.66743612
   0.18246628  0.37746774  0.71595898
   0.31644052  0.16702058 -0.01945838
   0.02265389  0.17744316  0.92087375
   0.10279915  0.56578614  0.11053571
   0.38859776  0.67128985  0.25952027
   0.13213868  0.80946964  0.04936665
   0.39812716  0.91986299  0.35527343
   0.42840084  0.87760076  0.15487108
   0.18819429  0.85256276  0.23256314
   0.27787797  0.68019388  0.43312394
   0.04041893  0.58914900  0.39918849
   0.14685156  0.55552460  0.58316538
   0.32970134  0.70365556  0.77754321
   0.08123552  0.80444641  0.51460749
   0.34428293  0.98348837  0.83851799
   0.45978034  0.90780903  0.67719849
   0.17117167  0.88725375  0.70251937
   0.29829227  0.63741513 -0.02668900
   0.03285934  0.64144125  0.93267824
   0.62188812  0.05879539  0.11338330
   0.82327076  0.18062358  0.27069878
   0.60379902  0.29205484  0.04110965
   0.83537072  0.42344140  0.34593354
   0.06116403  0.36915066  0.22612896
   0.78892440  0.39815612  0.15165545
   0.78972242  0.15284070  0.47226275
   0.55050709  0.10994655  0.44164168
   0.60587053  0.12988921  0.62809594
   0.80496072  0.18512949  0.80283246
   0.62906479  0.34942979  0.52671313
   0.90733746  0.44708503  0.83193930
   0.94324964  0.37044284  0.61306804
   0.68742242  0.41031412  0.71787361
   0.80098051  0.10333441  0.99085778
   0.56319792  0.08045025  0.92219643
   0.59525831  0.55180758  0.08152754
   0.86285176  0.70038048  0.29068067
   0.62934607  0.81004529  0.04287990
   0.85735153  0.94705278  0.35212606
   0.92963974  0.89260544  0.16887587
   0.67932681  0.85252936  0.22728178
   0.80544995  0.60888806  0.47519159
   0.54020755  0.58681178  0.39347681
   0.58065526  0.58596156  0.58891551
   0.88225266  0.71475381  0.78707946
   0.60820897  0.80548596  0.45097693
   0.93528569  0.96382326  0.84142453
   0.91980387  0.90002113  0.65540739
   0.69441733  0.91855582  0.76391951
   0.77971874  0.60910324  0.95265753
   0.53288230  0.67484498  0.89915558
   0.69803809  0.93005722  0.57238035
   0.69756264  0.84250161  0.46238639
   0.90227236  0.20844585  0.11885759
   0.81191450  0.35085708  0.39696650
   0.31136912  0.09790137  0.66405041
   0.24429282  0.74543548  0.76309444
   0.00165194  1.11710862  0.14448178
   0.13908528  0.99949985 -0.02317877
   0.68529212  0.36978912  0.89231249
   0.89278924  0.41820701  0.55426927
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844604    0.046016   -0.026145
    -0.000000   10.031766    0.185560
    -0.000000   -0.000000   13.735379
   Si   O    H 
    32    64    10
Direct configuration=   328
   0.13734343  0.13726978 -0.00166254
   0.40551265  0.06743415  0.39275936
   0.14796467  0.40645114  0.12720380
   0.37904745  0.33749692  0.25947498
   0.13982168  0.15531802  0.49212665
   0.40706531  0.10965424  0.88765923
   0.10882692  0.39617635  0.60975284
   0.34163774  0.36892269  0.76136923
   0.14637030  0.66079931  0.01199966
   0.37851476  0.58623712  0.37052689
   0.09593337  0.90503941  0.13998758
   0.35002635  0.83430414  0.25045978
   0.13226163  0.65223156  0.48934138
   0.37728376  0.62573490  0.87265126
   0.07121191  0.90791630  0.61149105
   0.32402193  0.97190162  0.71591829
   0.64647416  0.13860339  1.01431932
   0.87719450  0.10527935  0.37736383
   0.63197886  0.40110613  0.12238429
   0.90539356  0.30814871  0.21334314
   0.63997301  0.18453868  0.51496565
   0.88485198  0.11473134  0.88995503
   0.57922072  0.43097685  0.62558982
   0.77701912  0.35336042  0.80910970
   0.63504354  0.66466283 -0.00254669
   0.88360967  0.58583614  0.36882899
   0.58655127  0.90077527  0.13616678
   0.84062591  0.84920029  0.25667047
   0.63348950  0.64775668  0.48440868
   0.89682551  0.60087814  0.87477265
   0.61380514  0.96593046  0.65647192
   0.85223200  0.87558813  0.76234754
   0.10027288  0.06879543  0.12768005
   0.38030267  0.17677302  0.29874695
   0.11565965  0.29469915  0.04367220
   0.34275464  0.42269669  0.35870554
   0.53839540  0.35542800  0.21939652
   0.30777338  0.38994773  0.15733034
   0.28464586  0.09625493  0.46736910
   0.03393744  0.15577993  0.40286823
   0.07785819  0.06323023  0.57248336
   0.39915662  0.23400006  0.81069398
   0.17614339  0.29541936  0.52905925
   0.38146465  0.47730015  0.83851808
   0.43938074  0.37819773  0.66718224
   0.18287065  0.37701876  0.71523383
   0.31497658  0.16513089 -0.02017533
   0.02367446  0.17755485  0.92088970
   0.10254333  0.56499425  0.11130749
   0.39030901  0.66950420  0.26137081
   0.13135567  0.80951492  0.04963651
   0.39680877  0.92121441  0.35627647
   0.42829397  0.87920176  0.15438102
   0.19047134  0.85125875  0.23283413
   0.27800258  0.68132670  0.43383539
   0.04116944  0.58830429  0.39787857
   0.14849793  0.55591970  0.58332112
   0.32758172  0.70476425  0.77681814
   0.08104378  0.80600276  0.51516578
   0.34405777  0.97983649  0.83955036
   0.46002586  0.90874423  0.67598209
   0.17173480  0.88873170  0.70299842
   0.29990624  0.63752143 -0.02658253
   0.03253432  0.64030166  0.93272943
   0.62207986  0.05915405  0.11345990
   0.82238569  0.18177352  0.27217702
   0.60339292  0.29139008  0.04151199
   0.83615048  0.42104613  0.34432447
   0.05999715  0.36770275  0.22706137
   0.78840512  0.39745336  0.15247786
   0.79147544  0.15381151  0.47282326
   0.55029035  0.10921633  0.44234750
   0.60515288  0.13068641  0.62722241
   0.80482546  0.18535996  0.80275791
   0.62868674  0.34811876  0.52616779
   0.90853053  0.44574901  0.83272792
   0.94141031  0.37032622  0.61199404
   0.68827818  0.40746581  0.71619054
   0.79931939  0.10129584  0.99064451
   0.56215855  0.07921598  0.92075693
   0.59447936  0.55114067  0.08165611
   0.86144765  0.69986094  0.29105896
   0.62989187  0.80995908  0.04314504
   0.85626219  0.94718951  0.35173011
   0.92981043  0.89044558  0.16960989
   0.67801558  0.85213351  0.22539555
   0.80427104  0.60858838  0.47552151
   0.53911041  0.58726515  0.39394311
   0.58134251  0.58366973  0.58951847
   0.88067565  0.71627772  0.78821050
   0.60697540  0.80636063  0.44983915
   0.93600522  0.96294292  0.84127326
   0.91932675  0.89761131  0.65568256
   0.69354094  0.91882568  0.76331702
   0.77836414  0.60980056  0.95235443
   0.53279091  0.67511917  0.90059108
   0.68854560  0.93090406  0.57504521
   0.70037982  0.84055546  0.46472521
   0.91220526  0.22103416  0.12842268
   0.80866651  0.35639129  0.39756598
   0.31211881  0.10355593  0.66779353
   0.23410569  0.74180136  0.76131098
   0.00677001  1.11822055  0.15109397
   0.14627854  0.99728775 -0.02447203
   0.69196108  0.36921245  0.89523413
   0.89321441  0.40981418  0.56259139
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843455    0.045264   -0.027317
    -0.000000   10.031937    0.183219
    -0.000000   -0.000000   13.735122
   Si   O    H 
    32    64    10
Direct configuration=   329
   0.13752085  0.13680627 -0.00084716
   0.40496966  0.06761909  0.39260778
   0.14854884  0.40715797  0.12668771
   0.38051961  0.33763754  0.25979320
   0.13853600  0.15421921  0.49268328
   0.40578269  0.11030332  0.88742247
   0.10993593  0.39785481  0.61088624
   0.34126805  0.36862634  0.76188458
   0.14572341  0.66013906  0.01336592
   0.37904089  0.58678212  0.37075379
   0.09529243  0.90516892  0.13975087
   0.35108834  0.83503632  0.25121904
   0.13349595  0.65281007  0.48889744
   0.37633787  0.62621749  0.87289267
   0.07061320  0.90943161  0.61124204
   0.32313799  0.97247242  0.71544494
   0.64644302  0.13886872  1.01507313
   0.87615836  0.10535602  0.37627258
   0.63210446  0.40243338  0.12215881
   0.90471802  0.30787405  0.21297752
   0.64052467  0.18441154  0.51549352
   0.88507247  0.11489689  0.89045747
   0.57793705  0.43095860  0.62675823
   0.77612095  0.35235795  0.80918579
   0.63627276  0.66500370 -0.00306720
   0.88389354  0.58507765  0.36889195
   0.58779809  0.90038625  0.13587619
   0.84112842  0.84871378  0.25674162
   0.63327961  0.64834505  0.48399321
   0.89715358  0.60092740  0.87429481
   0.61314201  0.96662687  0.65733030
   0.85284327  0.87578611  0.76220060
   0.10079449  0.07025940  0.12808756
   0.38068314  0.17737911  0.29942613
   0.11739629  0.29582204  0.04364236
   0.34113280  0.42049770  0.35826958
   0.53654331  0.35636225  0.22043654
   0.30743611  0.38965920  0.15703452
   0.28535312  0.09621646  0.46730027
   0.03476265  0.15721320  0.40274153
   0.07726551  0.06386027  0.57344288
   0.39908673  0.23349772  0.81060101
   0.17531287  0.29548463  0.52994806
   0.38263295  0.47415572  0.83663409
   0.43933026  0.37774617  0.66660867
   0.18384659  0.37637520  0.71474003
   0.31373792  0.16320686 -0.02107447
   0.02477024  0.17818732  0.92030239
   0.10241552  0.56415938  0.11159756
   0.39132102  0.66785305  0.26367697
   0.13074781  0.80971715  0.04977562
   0.39584784  0.92180364  0.35697361
   0.42874413  0.88073404  0.15393313
   0.19325663  0.85022852  0.23287601
   0.27736436  0.68276244  0.43471321
   0.04220746  0.58741801  0.39728850
   0.15019943  0.55658452  0.58359273
   0.32577314  0.70603937  0.77655527
   0.08071478  0.80763288  0.51594220
   0.34328188  0.97583979  0.83990986
   0.45963861  0.90944955  0.67509858
   0.17174097  0.88949241  0.70311488
   0.30103738  0.63811159 -0.02641806
   0.03179151  0.63937591  0.93278063
   0.62232268  0.05896690  0.11455807
   0.82250207  0.18286096  0.27415420
   0.60371655  0.29001457  0.04185899
   0.83612736  0.41917229  0.34322330
   0.05822175  0.36562783  0.22825724
   0.78810375  0.39695140  0.15307930
   0.79329886  0.15483514  0.47366357
   0.54944419  0.10867042  0.44296981
   0.60432871  0.13089927  0.62642269
   0.80424230  0.18694537  0.80310858
   0.62870220  0.34681593  0.52586116
   0.90977431  0.44337340  0.83372800
   0.94078666  0.37011252  0.61164802
   0.68979880  0.40438737  0.71463916
   0.79854322  0.09929084  0.99013781
   0.56167956  0.07843273  0.91998432
   0.59393908  0.55042881  0.08215004
   0.86001791  0.69960176  0.29108197
   0.62959410  0.80991276  0.04380246
   0.85571211  0.94724084  0.35149780
   0.93113168  0.88793282  0.17026037
   0.67753834  0.85253730  0.22341514
   0.80247676  0.60852909  0.47535002
   0.53746996  0.58804189  0.39496544
   0.58254888  0.58249762  0.58951436
   0.87844449  0.71705655  0.78830733
   0.60582592  0.80622282  0.44834213
   0.93672477  0.96225085  0.84141460
   0.91865262  0.89470099  0.65603662
   0.69214625  0.91910929  0.76241482
   0.77591030  0.61104598  0.95243929
   0.53277243  0.67560641  0.90232396
   0.68222916  0.93053194  0.57391397
   0.69718258  0.84096339  0.46422836
   0.93060766  0.22890747  0.13670063
   0.81145878  0.36659464  0.39858585
   0.31082617  0.10644274  0.67374710
   0.23051102  0.73444284  0.76006507
   0.01431755  1.12461828  0.15532132
   0.15426789  0.99334162 -0.02316002
   0.69757447  0.37033146  0.89627147
   0.88429055  0.40962251  0.56176080
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842396    0.044220   -0.028936
    -0.000000   10.031793    0.180863
    -0.000000   -0.000000   13.734421
   Si   O    H 
    32    64    10
Direct configuration=   330
   0.13780376  0.13646407  0.00002869
   0.40449259  0.06845351  0.39218721
   0.14852233  0.40758270  0.12624708
   0.38186547  0.33670550  0.26011783
   0.13763888  0.15262670  0.49276811
   0.40461312  0.11102267  0.88766469
   0.11111432  0.39929835  0.61164918
   0.34070910  0.36868469  0.76145143
   0.14516394  0.65944591  0.01475332
   0.37952249  0.58730144  0.37046757
   0.09521074  0.90441862  0.13977799
   0.35257134  0.83499036  0.25194295
   0.13448958  0.65417650  0.48831201
   0.37525867  0.62714398  0.87286293
   0.07018170  0.91059224  0.61048307
   0.32230602  0.97253347  0.71473086
   0.64600109  0.13914741  1.01598489
   0.87574551  0.10587476  0.37560188
   0.63162058  0.40313105  0.12212742
   0.90361714  0.30740196  0.21247791
   0.64147707  0.18398682  0.51620567
   0.88484263  0.11419626  0.89079573
   0.57704513  0.43081336  0.62822698
   0.77563322  0.35126044  0.80876096
   0.63692197  0.66500675 -0.00351155
   0.88396572  0.58427760  0.36940074
   0.58896882  0.89993981  0.13546822
   0.84129055  0.84831127  0.25696896
   0.63261030  0.64861154  0.48284480
   0.89776720  0.60060250  0.87405322
   0.61262472  0.96802107  0.65821668
   0.85296243  0.87542224  0.76163487
   0.10143583  0.07173483  0.12842508
   0.38140306  0.17807220  0.30050504
   0.11865468  0.29733167  0.04349322
   0.33941393  0.41890467  0.35783375
   0.53483865  0.35758073  0.22147764
   0.30730621  0.38951736  0.15653308
   0.28626556  0.09650536  0.46724269
   0.03516907  0.15807830  0.40277444
   0.07606674  0.06416861  0.57441134
   0.39771979  0.23327652  0.81058942
   0.17393437  0.29660944  0.53069335
   0.38437547  0.47145042  0.83482677
   0.43897947  0.37679155  0.66566576
   0.18496129  0.37602973  0.71413069
   0.31193739  0.16150129 -0.02174079
   0.02593486  0.17843477  0.91966343
   0.10207964  0.56329015  0.11078998
   0.39292439  0.66675323  0.26581158
   0.12979327  0.80899330  0.05035291
   0.39501580  0.92177710  0.35645657
   0.42957345  0.88195073  0.15314828
   0.19607970  0.84974904  0.23247647
   0.27673603  0.68360419  0.43600945
   0.04369808  0.58704374  0.39678886
   0.15091137  0.55669012  0.58432328
   0.32332871  0.70687798  0.77664496
   0.08025469  0.80872542  0.51715602
   0.34303117  0.97255249  0.84020219
   0.45933441  0.91065775  0.67404010
   0.17230242  0.89053967  0.70312546
   0.30189394  0.63932163 -0.02652413
   0.03115922  0.63833057  0.93315439
   0.62255403  0.05847492  0.11585322
   0.82343230  0.18472246  0.27612798
   0.60396767  0.28912624  0.04167514
   0.83659947  0.41870235  0.34120031
   0.05699174  0.36348324  0.22976624
   0.78766518  0.39593159  0.15359726
   0.79446694  0.15594926  0.47459861
   0.54798402  0.10722422  0.44336908
   0.60365279  0.12983822  0.62518935
   0.80299201  0.18917650  0.80353312
   0.62781135  0.34661889  0.52598308
   0.91052652  0.44098112  0.83440537
   0.94058539  0.37009020  0.61191873
   0.69031110  0.40210045  0.71346363
   0.79787415  0.09812652  0.98967184
   0.56097054  0.07823974  0.91901564
   0.59425088  0.54956153  0.08256914
   0.85880497  0.69862106  0.29090305
   0.62879960  0.80923142  0.04431989
   0.85472883  0.94812200  0.35154596
   0.93236948  0.88641966  0.17024191
   0.67750288  0.85294761  0.22178073
   0.79975278  0.60852386  0.47497661
   0.53700107  0.58925520  0.39660493
   0.58426004  0.58226557  0.58945623
   0.87591864  0.71690391  0.78869291
   0.60487493  0.80471746  0.44726545
   0.93744589  0.96125487  0.84172797
   0.91762448  0.89200567  0.65634495
   0.69116004  0.92052965  0.76146643
   0.77407078  0.61146774  0.95319498
   0.53281399  0.67586345  0.90394386
   0.68083159  0.92670770  0.57011145
   0.69488554  0.84494176  0.46325950
   0.95332075  0.22208123  0.13408401
   0.81271757  0.37510442  0.40332668
   0.30725330  0.10756220  0.67978704
   0.23024195  0.72649648  0.76033810
   0.02533413  1.13519361  0.15741847
   0.16152449  0.99249786 -0.02075497
   0.70040800  0.37263546  0.89972285
   0.87418624  0.41152368  0.55762967
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841709    0.043617   -0.030598
    -0.000000   10.031390    0.178359
    -0.000000   -0.000000   13.733451
   Si   O    H 
    32    64    10
Direct configuration=   331
   0.13839409  0.13635840  0.00098445
   0.40441778  0.06901200  0.39187308
   0.14881358  0.40774885  0.12623996
   0.38355487  0.33565282  0.26033293
   0.13767908  0.15108630  0.49286490
   0.40336045  0.11077714  0.88844547
   0.11242905  0.40054407  0.61250136
   0.34059881  0.36870924  0.76039574
   0.14457697  0.65867090  0.01577996
   0.38006690  0.58812154  0.37001409
   0.09505288  0.90361586  0.13959495
   0.35465287  0.83446503  0.25236161
   0.13536352  0.65477521  0.48770712
   0.37458158  0.62798321  0.87241037
   0.06935158  0.91134482  0.61007992
   0.32186751  0.97225175  0.71439143
   0.64518234  0.13932557  1.01668866
   0.87570617  0.10665458  0.37483826
   0.63091778  0.40387437  0.12231547
   0.90172160  0.30693658  0.21204223
   0.64236211  0.18386134  0.51697837
   0.88513519  0.11293733  0.89122044
   0.57671862  0.43007731  0.62923421
   0.77528212  0.35063873  0.80829483
   0.63691101  0.66483879 -0.00411362
   0.88416579  0.58312646  0.36993798
   0.59000358  0.89931135  0.13459421
   0.84070072  0.84823056  0.25721862
   0.63198631  0.64832215  0.48153497
   0.89888044  0.60065226  0.87391096
   0.61228327  0.96917003  0.65865059
   0.85241690  0.87467158  0.76110223
   0.10241252  0.07330062  0.12860804
   0.38154724  0.17925284  0.30159707
   0.11924923  0.29882258  0.04287142
   0.33813806  0.41836720  0.35781414
   0.53389232  0.35917712  0.22192574
   0.30739724  0.38863379  0.15641026
   0.28732712  0.09636011  0.46733274
   0.03489217  0.15840636  0.40272350
   0.07517058  0.06439298  0.57567497
   0.39605398  0.23303425  0.81071716
   0.17232711  0.29724413  0.53175412
   0.38601970  0.47034930  0.83413141
   0.43753140  0.37548362  0.66441272
   0.18631025  0.37656913  0.71417560
   0.31090025  0.15966762 -0.02226242
   0.02644690  0.17858883  0.91929415
   0.10197859  0.56225400  0.11034525
   0.39403957  0.66638042  0.26725139
   0.12855254  0.80811682  0.05092317
   0.39470016  0.92022780  0.35565105
   0.42916190  0.88335050  0.15273243
   0.19823992  0.84934231  0.23293347
   0.27704171  0.68356113  0.43762304
   0.04559195  0.58752638  0.39654486
   0.15051325  0.55704590  0.58507134
   0.32134828  0.70698177  0.77679932
   0.07993836  0.80952076  0.51844242
   0.34218950  0.96928761  0.83978007
   0.45974686  0.91176361  0.67276161
   0.17305221  0.89143132  0.70332320
   0.30255678  0.64018386 -0.02662282
   0.03088007  0.63701348  0.93305966
   0.62256971  0.05780648  0.11692977
   0.82415802  0.18678499  0.27834967
   0.60438290  0.28793026  0.04177656
   0.83636631  0.41843713  0.33934456
   0.05603340  0.36220740  0.23062028
   0.78780381  0.39490030  0.15465530
   0.79597308  0.15701331  0.47534618
   0.54647953  0.10629933  0.44434659
   0.60267652  0.12852885  0.62450224
   0.80242336  0.19112836  0.80369467
   0.62698707  0.34643865  0.52607357
   0.91143009  0.43920684  0.83562240
   0.93951590  0.36949352  0.61177618
   0.69066197  0.40034756  0.71238819
   0.79764658  0.09705348  0.98865214
   0.56061120  0.07853627  0.91858370
   0.59418255  0.54776069  0.08279877
   0.85750806  0.69758402  0.29098416
   0.62836797  0.80863381  0.04483577
   0.85409408  0.94790721  0.35111169
   0.93391765  0.88439027  0.16968043
   0.67791130  0.85266117  0.22066683
   0.79770228  0.60822607  0.47483083
   0.53690170  0.58986920  0.39868441
   0.58596720  0.58260253  0.58899726
   0.87486112  0.71584209  0.78959219
   0.60425243  0.80331278  0.44730760
   0.93712794  0.96080294  0.84211746
   0.91676497  0.88932137  0.65620115
   0.69052569  0.92266819  0.76035406
   0.77259589  0.61222570  0.95391241
   0.53248917  0.67651128  0.90495532
   0.68073614  0.92211540  0.56582202
   0.68699029  0.84969287  0.46185296
   0.96765468  0.21326128  0.12743398
   0.81393579  0.38113850  0.40659384
   0.30310365  0.10743825  0.68488336
   0.22928490  0.71917840  0.76054946
   0.03136511  1.14412402  0.15846307
   0.16956998  0.99489932 -0.01676673
   0.69780877  0.37246556  0.90313676
   0.87382707  0.40973481  0.56145008
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841166    0.042771   -0.031338
    -0.000000   10.030703    0.175209
    -0.000000   -0.000000   13.732164
   Si   O    H 
    32    64    10
Direct configuration=   332
   0.13982172  0.13606483  0.00185553
   0.40467646  0.06963993  0.39159020
   0.14916729  0.40718821  0.12695071
   0.38479475  0.33399126  0.25997742
   0.13769504  0.14986030  0.49289073
   0.40224374  0.11074308  0.88902621
   0.11333282  0.40162549  0.61367742
   0.34051130  0.36846500  0.75915164
   0.14420029  0.65784861  0.01657701
   0.38050146  0.58867901  0.36945727
   0.09460952  0.90292721  0.13968703
   0.35668834  0.83410892  0.25251988
   0.13581843  0.65560355  0.48714993
   0.37459838  0.62878300  0.87230017
   0.06862837  0.91233379  0.61004077
   0.32118312  0.97129780  0.71446577
   0.64310885  0.13940584  1.01791174
   0.87525382  0.10735682  0.37465467
   0.63009274  0.40433842  0.12232420
   0.89994520  0.30659776  0.21158003
   0.64315556  0.18415349  0.51766624
   0.88558621  0.11148198  0.89137071
   0.57660404  0.42977772  0.62991963
   0.77497822  0.35031423  0.80794364
   0.63721483  0.66465594 -0.00465789
   0.88466430  0.58154418  0.37053656
   0.59037212  0.89880209  0.13394514
   0.83920437  0.84856114  0.25725224
   0.63158975  0.64800450  0.48065251
   0.89976281  0.60044166  0.87401236
   0.61217627  0.96975316  0.65913792
   0.85126677  0.87405760  0.76109686
   0.10347119  0.07519914  0.12858123
   0.38136271  0.18033980  0.30264447
   0.12042559  0.30077457  0.04170030
   0.33594072  0.41750307  0.35786352
   0.53407682  0.36204746  0.22193627
   0.30754211  0.38749494  0.15614566
   0.28840977  0.09587123  0.46792155
   0.03417806  0.15867306  0.40230344
   0.07343691  0.06547049  0.57738453
   0.39450890  0.23232159  0.81065264
   0.17067496  0.29894260  0.53313649
   0.38783666  0.47110572  0.83354296
   0.43598098  0.37425291  0.66363848
   0.18640620  0.37698723  0.71456807
   0.30986548  0.15814562 -0.02298120
   0.02689809  0.17878371  0.91908668
   0.10329101  0.56165654  0.10964406
   0.39526239  0.66761237  0.26801507
   0.12720471  0.80680015  0.05190048
   0.39381808  0.91905945  0.35459422
   0.42890963  0.88460893  0.15289735
   0.19907416  0.84965484  0.23333088
   0.27779448  0.68339089  0.43887090
   0.04719051  0.58776209  0.39675042
   0.14867134  0.55714980  0.58537178
   0.31975287  0.70689856  0.77643545
   0.07982594  0.81077015  0.51961095
   0.34165035  0.96718755  0.83894246
   0.46021430  0.91258640  0.67113508
   0.17427468  0.89280403  0.70325359
   0.30221305  0.64099767 -0.02620689
   0.03173148  0.63636862  0.93281300
   0.62123391  0.05719232  0.11840412
   0.82543884  0.18888085  0.28004722
   0.60501712  0.28724263  0.04162480
   0.83622386  0.41890213  0.33837563
   0.05541451  0.36183182  0.23116676
   0.78804362  0.39369447  0.15557249
   0.79785792  0.15785854  0.47621552
   0.54447789  0.10529303  0.44528618
   0.60293194  0.12763380  0.62348165
   0.80227801  0.19307015  0.80382072
   0.62612703  0.34616239  0.52633073
   0.91195039  0.43875457  0.83700857
   0.93876623  0.36953172  0.61209748
   0.69201833  0.39881770  0.71132072
   0.79774409  0.09607122  0.98775133
   0.55988242  0.07964647  0.91832911
   0.59373379  0.54710619  0.08179981
   0.85615472  0.69668463  0.29059744
   0.62765643  0.80718647  0.04569085
   0.85312704  0.94779334  0.35055918
   0.93628087  0.88282987  0.16867231
   0.67911175  0.85239632  0.22006753
   0.79497922  0.60719306  0.47403936
   0.53777437  0.58999249  0.40116374
   0.58743394  0.58329114  0.58847115
   0.87400153  0.71506943  0.79024430
   0.60348846  0.80205298  0.44688651
   0.93572290  0.96048457  0.84231275
   0.91637472  0.88717498  0.65510241
   0.68977163  0.92489549  0.75954086
   0.77268365  0.61329012  0.95433668
   0.53212814  0.67641408  0.90626888
   0.68050947  0.92224568  0.56577743
   0.68165901  0.85675432  0.46021150
   0.96478201  0.21074686  0.12364284
   0.81650111  0.38420297  0.40406457
   0.29386823  0.10782294  0.68704735
   0.22401411  0.71193249  0.75749697
   0.03498885  1.14935800  0.16308304
   0.17535573  1.00008072 -0.01107970
   0.69280978  0.37256662  0.90173539
   0.88110398  0.40564141  0.56595038
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840491    0.041846   -0.031786
    -0.000000   10.030018    0.171748
    -0.000000   -0.000000   13.731584
   Si   O    H 
    32    64    10
Direct configuration=   333
   0.14215436  0.13620016  0.00275142
   0.40473735  0.06984101  0.39131433
   0.14958087  0.40626256  0.12765144
   0.38589219  0.33314347  0.25968644
   0.13788297  0.14922366  0.49294379
   0.40097545  0.11099641  0.88921818
   0.11387772  0.40243152  0.61455584
   0.33997302  0.36758953  0.75770858
   0.14297570  0.65671767  0.01727767
   0.38088827  0.58907037  0.36892834
   0.09457872  0.90242130  0.13983164
   0.35825178  0.83348057  0.25276465
   0.13601223  0.65634999  0.48665005
   0.37466627  0.62976422  0.87222488
   0.06789653  0.91290587  0.61027149
   0.32033477  0.96978488  0.71517784
   0.64123804  0.13921789  1.01886755
   0.87485928  0.10767371  0.37425134
   0.62942868  0.40430914  0.12247737
   0.89845764  0.30560532  0.21129377
   0.64357306  0.18433895  0.51795071
   0.88635243  0.11093881  0.89096430
   0.57651036  0.42996791  0.62975773
   0.77417079  0.35083460  0.80780699
   0.63735474  0.66390584 -0.00472788
   0.88508681  0.58021268  0.37112069
   0.59020523  0.89809771  0.13319527
   0.83680084  0.84915123  0.25742111
   0.63160524  0.64758939  0.48034703
   0.90058525  0.60023629  0.87397192
   0.61223027  0.96986317  0.65912490
   0.85053628  0.87380693  0.76122362
   0.10434830  0.07614083  0.12864789
   0.38156588  0.18100164  0.30325142
   0.12098190  0.30270575  0.04161173
   0.33384076  0.41700731  0.35785061
   0.53597167  0.36424486  0.22205990
   0.30718520  0.38597986  0.15582222
   0.28872082  0.09599377  0.46845539
   0.03235195  0.15826408  0.40144740
   0.07079475  0.06590002  0.57884005
   0.39326500  0.23165163  0.81023736
   0.16872983  0.30042667  0.53491840
   0.38868467  0.47299891  0.83360040
   0.43527499  0.37302869  0.66308328
   0.18714727  0.37702423  0.71489704
   0.30804544  0.15725217 -0.02299045
   0.02757815  0.17959315  0.91876991
   0.10383751  0.56101137  0.10883624
   0.39637160  0.66922362  0.26820738
   0.12558413  0.80664366  0.05284305
   0.39302463  0.91760751  0.35331273
   0.42829470  0.88635573  0.15302215
   0.19950817  0.85029444  0.23372623
   0.27830716  0.68208676  0.43916402
   0.04937019  0.58827709  0.39621919
   0.14673721  0.55731183  0.58525379
   0.31812855  0.70748177  0.77732461
   0.08055924  0.81129160  0.52046838
   0.34085373  0.96538680  0.83761569
   0.46122291  0.91382992  0.66977580
   0.17539855  0.89368010  0.70289601
   0.30070394  0.64142840 -0.02536934
   0.03291492  0.63604200  0.93221642
   0.61972545  0.05624648  0.11951435
   0.82757299  0.19103428  0.28106234
   0.60589772  0.28689053  0.04138364
   0.83626916  0.41980701  0.33748124
   0.05366995  0.36211562  0.23116055
   0.78846798  0.39367878  0.15635072
   0.80048001  0.15885791  0.47663773
   0.54237796  0.10458855  0.44599424
   0.60351105  0.12714282  0.62258673
   0.80152539  0.19430949  0.80371582
   0.62548680  0.34556378  0.52629285
   0.91344552  0.43867807  0.83759994
   0.93923510  0.36945957  0.61252394
   0.69338144  0.39803296  0.71013548
   0.79808252  0.09489868  0.98741839
   0.55929251  0.08104771  0.91872246
   0.59316654  0.54673885  0.08026106
   0.85454435  0.69561995  0.29054946
   0.62770814  0.80560614  0.04663309
   0.85240176  0.94750803  0.35031411
   0.93850232  0.88131753  0.16741829
   0.68173490  0.85234539  0.22016448
   0.79274488  0.60689833  0.47312908
   0.53906252  0.59001077  0.40367614
   0.58919208  0.58394315  0.58759193
   0.87352482  0.71523507  0.79041718
   0.60282434  0.80036070  0.44669354
   0.93465939  0.96056748  0.84256280
   0.91582402  0.88558570  0.65354657
   0.68893632  0.92660852  0.75880636
   0.77291644  0.61353488  0.95429238
   0.53090652  0.67596415  0.90696096
   0.68283422  0.92651816  0.57220164
   0.67614132  0.86861835  0.46159812
   0.94436222  0.21443786  0.12371987
   0.81952953  0.38416473  0.40085070
   0.28823462  0.11119953  0.68723671
   0.21876900  0.70431821  0.75098558
   0.03178258  1.15309926  0.16698233
   0.18042062  1.00193368 -0.00568557
   0.69133291  0.37242802  0.89801131
   0.87682435  0.40894431  0.56384839
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840280    0.040461   -0.032132
    -0.000000   10.029243    0.168224
    -0.000000   -0.000000   13.730786
   Si   O    H 
    32    64    10
Direct configuration=   334
   0.14488745  0.13674066  0.00351572
   0.40489246  0.06952326  0.39089537
   0.14980763  0.40523956  0.12887315
   0.38706092  0.33272492  0.25961378
   0.13808025  0.14942125  0.49289306
   0.39932047  0.11071785  0.88898257
   0.11361123  0.40378650  0.61553720
   0.33943203  0.36672504  0.75664996
   0.14185390  0.65500574  0.01776963
   0.38092457  0.58893371  0.36860875
   0.09489629  0.90253120  0.14032607
   0.36010051  0.83298950  0.25317586
   0.13580609  0.65782487  0.48638516
   0.37477999  0.63010655  0.87187587
   0.06719922  0.91305176  0.61071467
   0.31893130  0.96822864  0.71647546
   0.63930130  0.13820773  1.01962852
   0.87502727  0.10787638  0.37395848
   0.62792013  0.40400244  0.12309551
   0.89770455  0.30458425  0.21128556
   0.64414147  0.18496926  0.51826904
   0.88712836  0.11079599  0.89081594
   0.57676565  0.43034223  0.62959040
   0.77298937  0.35140467  0.80746119
   0.63719056  0.66313227 -0.00508854
   0.88562756  0.57903674  0.37239554
   0.58973063  0.89793250  0.13256586
   0.83482503  0.84882614  0.25750419
   0.63244776  0.64754738  0.48018528
   0.90091630  0.59992617  0.87415651
   0.61241057  0.97044347  0.65888990
   0.85004066  0.87340738  0.76138802
   0.10487261  0.07668460  0.12858433
   0.38161584  0.18111912  0.30347406
   0.12180150  0.30473118  0.04146092
   0.33258292  0.41727834  0.35812641
   0.53834838  0.36695035  0.22116938
   0.30660209  0.38490490  0.15627813
   0.28808338  0.09694036  0.46952909
   0.03031258  0.15789778  0.40066214
   0.06840981  0.06650802  0.58052766
   0.39204301  0.23145567  0.80973393
   0.16732443  0.30220121  0.53654298
   0.38913136  0.47495218  0.83409444
   0.43451497  0.37160640  0.66269980
   0.18779684  0.37712511  0.71595617
   0.30670401  0.15570049 -0.02307465
   0.02890873  0.18017177  0.91838834
   0.10468367  0.56012067  0.10866472
   0.39753287  0.67084573  0.26766272
   0.12400886  0.80634127  0.05302047
   0.39319902  0.91633196  0.35199984
   0.42839945  0.88787141  0.15264100
   0.19956999  0.85134748  0.23394303
   0.27910928  0.68114956  0.43908142
   0.05130827  0.58891105  0.39618767
   0.14432598  0.55767848  0.58511942
   0.31587664  0.70791215  0.77820597
   0.08187756  0.81098453  0.52087213
   0.34115576  0.96451405  0.83641011
   0.46195048  0.91559999  0.66823281
   0.17696993  0.89550403  0.70191804
   0.29832591  0.64222520 -0.02471848
   0.03401063  0.63561437  0.93220094
   0.61887928  0.05588414  0.12064224
   0.82870318  0.19348041  0.28161152
   0.60727521  0.28772377  0.04120355
   0.83705485  0.42132021  0.33605142
   0.05278139  0.36259737  0.23109476
   0.78882976  0.39375607  0.15649159
   0.80186909  0.15924855  0.47679588
   0.54198130  0.10453498  0.44664230
   0.60382947  0.12750231  0.62168548
   0.80155853  0.19497241  0.80318699
   0.62440221  0.34473815  0.52686633
   0.91464195  0.43855569  0.83774298
   0.93980839  0.36929384  0.61264605
   0.69445306  0.39728187  0.70906681
   0.79796750  0.09383051  0.98718771
   0.55882196  0.08225326  0.91905794
   0.59286297  0.54660539  0.07891098
   0.85297175  0.69448102  0.29107169
   0.62811912  0.80389095  0.04709465
   0.85156895  0.94866688  0.35024407
   0.94027653  0.87982811  0.16657491
   0.68422573  0.85305842  0.22092462
   0.79101477  0.60574374  0.47173444
   0.53940000  0.58895203  0.40584027
   0.59163077  0.58444428  0.58674244
   0.87295772  0.71471473  0.79073571
   0.60256716  0.79882219  0.44680180
   0.93265641  0.96072080  0.84306632
   0.91527081  0.88444348  0.65249015
   0.68817924  0.92833136  0.75758728
   0.77407106  0.61435635  0.95455810
   0.52901738  0.67565759  0.90757414
   0.68458764  0.93220466  0.58008691
   0.66296904  0.87432855  0.46285979
   0.92391361  0.22127571  0.12463691
   0.82207137  0.37784409  0.40107948
   0.28615691  0.11225418  0.68354202
   0.22203199  0.69669708  0.74682596
   0.03251396  1.15084142  0.16834539
   0.18400559  0.99724461 -0.00383181
   0.68880753  0.37319220  0.89310515
   0.87354904  0.41455487  0.56179886
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840027    0.039120   -0.032152
    -0.000000   10.028141    0.164498
    -0.000000   -0.000000   13.729761
   Si   O    H 
    32    64    10
Direct configuration=   335
   0.14771734  0.13743087  0.00409148
   0.40501344  0.06867541  0.39047492
   0.14985825  0.40361779  0.13050282
   0.38775740  0.33263647  0.25999534
   0.13852636  0.14951501  0.49260991
   0.39754745  0.11041872  0.88868868
   0.11232280  0.40515064  0.61666173
   0.33938988  0.36571845  0.75538902
   0.14074117  0.65434475  0.01762576
   0.38086565  0.58866106  0.36800449
   0.09594450  0.90303128  0.14100865
   0.36185338  0.83235908  0.25359824
   0.13541424  0.65902708  0.48630640
   0.37531226  0.63092592  0.87139331
   0.06628433  0.91325554  0.61119410
   0.31812465  0.96738438  0.71768658
   0.63715563  0.13742608  1.01988995
   0.87477514  0.10840118  0.37337421
   0.62655986  0.40363509  0.12409456
   0.89772526  0.30361198  0.21156263
   0.64444249  0.18530403  0.51876126
   0.88786254  0.11101604  0.89019616
   0.57676631  0.43057847  0.62953222
   0.77170375  0.35251751  0.80687869
   0.63703821  0.66226249 -0.00505350
   0.88566559  0.57781033  0.37378593
   0.58944028  0.89784561  0.13180952
   0.83322232  0.84872642  0.25757958
   0.63311010  0.64769056  0.48041872
   0.90144027  0.59949560  0.87408862
   0.61247382  0.97122685  0.65816814
   0.84944123  0.87252519  0.76149069
   0.10549831  0.07662831  0.12911118
   0.38091670  0.18131668  0.30386749
   0.12286801  0.30650942  0.04176253
   0.33127976  0.41806734  0.35840980
   0.54089998  0.36974885  0.21985684
   0.30697465  0.38380075  0.15648293
   0.28727528  0.09710900  0.47056341
   0.02842273  0.15743942  0.39952334
   0.06647893  0.06720900  0.58149930
   0.38988882  0.23104544  0.80912091
   0.16606836  0.30367025  0.53785018
   0.38935942  0.47686600  0.83482142
   0.43365994  0.37055621  0.66191141
   0.18662811  0.37709492  0.71715090
   0.30632786  0.15525229 -0.02207424
   0.02999154  0.18052305  0.91830315
   0.10576753  0.55909302  0.10852617
   0.39832194  0.67246875  0.26723885
   0.12283292  0.80664962  0.05315847
   0.39398734  0.91592190  0.35105358
   0.42859783  0.88954660  0.15268685
   0.19846089  0.85281347  0.23383364
   0.28148677  0.67947493  0.43870070
   0.05238946  0.59011549  0.39578566
   0.14216269  0.55836894  0.58414727
   0.31318440  0.70806113  0.77881250
   0.08307342  0.80984339  0.52127517
   0.34130040  0.96501602  0.83627013
   0.46175334  0.91773729  0.66693292
   0.17799834  0.89652813  0.70033931
   0.29516225  0.64215188 -0.02399981
   0.03475583  0.63530715  0.93226660
   0.61770220  0.05518953  0.12165335
   0.82969306  0.19517785  0.28137449
   0.60948923  0.28921438  0.04087428
   0.83806777  0.42457451  0.33526251
   0.05259437  0.36362913  0.23071660
   0.78909652  0.39357047  0.15646758
   0.80185491  0.15919315  0.47700713
   0.54216764  0.10387596  0.44719884
   0.60423946  0.12804125  0.62099287
   0.80170592  0.19465966  0.80277404
   0.62268675  0.34482013  0.52809430
   0.91487666  0.43907569  0.83795640
   0.94054800  0.36935608  0.61234460
   0.69552377  0.39649478  0.70846136
   0.79777570  0.09344292  0.98689549
   0.55861480  0.08382506  0.91886704
   0.59235220  0.54797192  0.07767476
   0.85062566  0.69380904  0.29179717
   0.62827576  0.80192148  0.04751035
   0.85036040  0.94951096  0.35100250
   0.94162855  0.87837177  0.16632707
   0.68574843  0.85401273  0.22166244
   0.79029626  0.60456137  0.47055207
   0.53868471  0.58657296  0.40736413
   0.59417316  0.58493391  0.58674131
   0.87225963  0.71469365  0.79089706
   0.60243593  0.79799265  0.44719792
   0.93054349  0.96047373  0.84344777
   0.91559389  0.88367006  0.65174819
   0.68771283  0.92965917  0.75660870
   0.77610527  0.61483086  0.95463543
   0.52732305  0.67576866  0.90765080
   0.69016339  0.93409035  0.58314853
   0.64914078  0.87498161  0.46283746
   0.90990155  0.21975764  0.12605547
   0.82303109  0.37312324  0.40021107
   0.28676125  0.10994810  0.67907078
   0.23185541  0.69080093  0.74822805
   0.03720867  1.14318521  0.16379296
   0.18448635  0.98985576 -0.00144833
   0.68700265  0.37468173  0.88665349
   0.87919363  0.41746659  0.56669799
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839878    0.038415   -0.032687
    -0.000000   10.026777    0.160787
    -0.000000   -0.000000   13.728756
   Si   O    H 
    32    64    10
Direct configuration=   336
   0.15071918  0.13806093  0.00450979
   0.40519190  0.06888373  0.39052450
   0.14987250  0.40234792  0.13171956
   0.38806001  0.33297801  0.25984793
   0.13899733  0.15057230  0.49176123
   0.39566950  0.11015213  0.88837585
   0.11033409  0.40676052  0.61740312
   0.33933431  0.36482969  0.75451338
   0.13976811  0.65403862  0.01765645
   0.38086941  0.58800761  0.36764543
   0.09743133  0.90272982  0.14164190
   0.36341816  0.83200654  0.25444148
   0.13469810  0.65996757  0.48657338
   0.37599966  0.63151167  0.87097208
   0.06542603  0.91355582  0.61164639
   0.31812867  0.96708160  0.71915946
   0.63540548  0.13659218  1.01985341
   0.87464510  0.10855400  0.37327557
   0.62561203  0.40353782  0.12483772
   0.89763690  0.30310937  0.21191887
   0.64497675  0.18523505  0.51888303
   0.88826071  0.11169157  0.88943757
   0.57723636  0.43072364  0.62914933
   0.77115772  0.35400863  0.80605590
   0.63615693  0.66092160 -0.00469542
   0.88533480  0.57677790  0.37454794
   0.58862584  0.89802551  0.13120817
   0.83231493  0.84829352  0.25778243
   0.63419616  0.64767491  0.48138764
   0.90157819  0.59900464  0.87384567
   0.61228509  0.97171115  0.65777639
   0.84886028  0.87210658  0.76183855
   0.10556461  0.07663168  0.13011101
   0.38001833  0.18163828  0.30421018
   0.12434102  0.30737675  0.04240313
   0.33073779  0.41939401  0.35863893
   0.54405912  0.37237055  0.21922470
   0.30721565  0.38200947  0.15712937
   0.28679171  0.09650576  0.47095254
   0.02669996  0.15725429  0.39871092
   0.06450338  0.06740537  0.58159432
   0.38781716  0.23052544  0.80852962
   0.16526480  0.30454121  0.53878074
   0.38924135  0.47821780  0.83550176
   0.43255085  0.36980287  0.66065866
   0.18604903  0.37685609  0.71875448
   0.30628673  0.15470804 -0.02057004
   0.03079132  0.18054322  0.91894264
   0.10731549  0.55848453  0.10894553
   0.39913796  0.67416564  0.26664345
   0.12199773  0.80663995  0.05345827
   0.39497986  0.91530066  0.35034701
   0.42870670  0.89092330  0.15255498
   0.19695135  0.85362259  0.23341889
   0.28441142  0.67754931  0.43881389
   0.05435362  0.59038703  0.39628248
   0.14059036  0.55849458  0.58323250
   0.31123047  0.70928699  0.77962386
   0.08447190  0.80830267  0.52147702
   0.34224661  0.96553654  0.83614258
   0.46125350  0.91946305  0.66596231
   0.17837905  0.89739316  0.69845108
   0.29192971  0.64346906 -0.02368202
   0.03512254  0.63430042  0.93155405
   0.61735085  0.05443990  0.12240877
   0.83044746  0.19636393  0.28082067
   0.61211602  0.29153534  0.04052661
   0.83915868  0.42849367  0.33492884
   0.05211521  0.36502553  0.23028869
   0.78897730  0.39415431  0.15672182
   0.80170991  0.15932410  0.47721312
   0.54201107  0.10366179  0.44767547
   0.60461745  0.12819584  0.62062247
   0.80186113  0.19385139  0.80187812
   0.62066808  0.34502976  0.52940282
   0.91460691  0.43956653  0.83793063
   0.94154646  0.36929259  0.61241279
   0.69646667  0.39644678  0.70787173
   0.79670503  0.09299530  0.98712473
   0.55815387  0.08526455  0.91942310
   0.59179574  0.55006547  0.07651024
   0.84917090  0.69310276  0.29253350
   0.62863213  0.80042735  0.04748121
   0.85042349  0.95130271  0.35159026
   0.94188022  0.87695193  0.16639773
   0.68667509  0.85545455  0.22318761
   0.78906326  0.60337121  0.46898019
   0.53698043  0.58324985  0.40827541
   0.59538216  0.58660122  0.58673507
   0.87132275  0.71410017  0.79152338
   0.60188784  0.79709666  0.44746240
   0.92910885  0.96096043  0.84370796
   0.91605001  0.88262658  0.65132513
   0.68768774  0.93118188  0.75577328
   0.77741157  0.61508993  0.95444020
   0.52603865  0.67577681  0.90753093
   0.69955561  0.92770054  0.57930555
   0.63925801  0.88533959  0.46251173
   0.89987842  0.21240572  0.12759111
   0.81882924  0.36982671  0.39825332
   0.28845585  0.10408970  0.67612108
   0.22848485  0.68397633  0.74609717
   0.04469061  1.13047793  0.15444490
   0.17945540  0.98188246 -0.00002371
   0.68280106  0.37663916  0.88263185
   0.88930194  0.41981590  0.57312082
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840030    0.036932   -0.032858
    -0.000000   10.025273    0.156594
    -0.000000   -0.000000   13.728127
   Si   O    H 
    32    64    10
Direct configuration=   337
   0.15331117  0.13891694  0.00492449
   0.40534166  0.06932266  0.39034413
   0.14996324  0.40122095  0.13321138
   0.38816092  0.33356468  0.25910967
   0.13938199  0.15186293  0.49124686
   0.39424684  0.11042677  0.88794246
   0.10793801  0.40849813  0.61764085
   0.33885598  0.36462812  0.75383223
   0.13926848  0.65501273  0.01772860
   0.38098002  0.58717261  0.36736016
   0.09922776  0.90249604  0.14222563
   0.36435510  0.83133716  0.25511999
   0.13387801  0.66147686  0.48696684
   0.37639002  0.63248526  0.87112063
   0.06478049  0.91431630  0.61267206
   0.31810665  0.96672426  0.72071999
   0.63410981  0.13519046  1.01934837
   0.87441097  0.10881149  0.37333918
   0.62523194  0.40407014  0.12560322
   0.89786233  0.30281299  0.21172964
   0.64573040  0.18565093  0.51878330
   0.88838074  0.11229820  0.88890321
   0.57817328  0.43087792  0.62892024
   0.77118582  0.35529858  0.80559189
   0.63531107  0.65947499 -0.00473561
   0.88539433  0.57597846  0.37550515
   0.58812445  0.89831927  0.13075502
   0.83183767  0.84785179  0.25792471
   0.63536982  0.64813630  0.48238227
   0.90141081  0.59850609  0.87346636
   0.61244302  0.97215895  0.65738444
   0.84780265  0.87123621  0.76246069
   0.10728413  0.07585329  0.13080716
   0.37895123  0.18296047  0.30411989
   0.12557238  0.30738622  0.04308623
   0.32960938  0.42130068  0.35849427
   0.54637086  0.37432016  0.21927299
   0.30756579  0.38122838  0.15816993
   0.28696671  0.09615201  0.47109057
   0.02541423  0.15709201  0.39821956
   0.06312075  0.06718752  0.58101735
   0.38598864  0.22982074  0.80781328
   0.16438918  0.30494607  0.53925771
   0.38975369  0.47895467  0.83632411
   0.43114033  0.36972932  0.65916539
   0.18508717  0.37623890  0.72023672
   0.30743930  0.15423692 -0.01939673
   0.03198213  0.18086447  0.91944807
   0.11019901  0.55785338  0.10938903
   0.39941886  0.67606496  0.26578390
   0.12075514  0.80698699  0.05376682
   0.39632870  0.91554243  0.34997916
   0.42831259  0.89203891  0.15297278
   0.19566927  0.85480354  0.23274458
   0.28732559  0.67565837  0.43902680
   0.05543925  0.58984552  0.39735280
   0.14001117  0.55866662  0.58201957
   0.30938972  0.71060447  0.78050023
   0.08518718  0.80557001  0.52145698
   0.34270548  0.96641042  0.83657552
   0.46001374  0.92107581  0.66487931
   0.17779521  0.89803640  0.69637431
   0.28848002  0.64473890 -0.02342303
   0.03574903  0.63311536  0.93115888
   0.61740120  0.05412157  0.12304264
   0.83115083  0.19658260  0.28094238
   0.61478971  0.29352634  0.04046283
   0.84003656  0.43159157  0.33551755
   0.05185744  0.36616366  0.23013155
   0.78845995  0.39529644  0.15661664
   0.80166383  0.15833719  0.47709567
   0.54157056  0.10308593  0.44792927
   0.60569030  0.12898848  0.62074628
   0.80302186  0.19401141  0.80122182
   0.61876631  0.34533791  0.53125225
   0.91422732  0.43983599  0.83824926
   0.94355583  0.36822584  0.61305255
   0.69574402  0.39677206  0.70640430
   0.79521742  0.09263528  0.98708057
   0.55708925  0.08575416  0.91988392
   0.59121546  0.55188326  0.07628018
   0.84820243  0.69248794  0.29267647
   0.62928397  0.79886156  0.04731689
   0.85075108  0.95272466  0.35190346
   0.94082790  0.87688342  0.16633649
   0.68594160  0.85675765  0.22469406
   0.78815614  0.60194598  0.46783444
   0.53524327  0.58010370  0.40851371
   0.59442405  0.58785672  0.58686937
   0.87044736  0.71317476  0.79215753
   0.60107678  0.79614008  0.44788773
   0.92791127  0.96183260  0.84354000
   0.91658701  0.88107839  0.65091586
   0.68796286  0.93153674  0.75492858
   0.77957939  0.61489361  0.95439638
   0.52511783  0.67543268  0.90735011
   0.70735589  0.91883062  0.57557406
   0.63079933  0.88894613  0.46137974
   0.90273930  0.20202002  0.12727726
   0.81395756  0.37504946  0.38977551
   0.29361044  0.09707906  0.67335204
   0.22403956  0.67732736  0.74448744
   0.02112515  1.13987039  0.15299413
   0.16726251  0.97944694  0.00017970
   0.67322954  0.37933220  0.88183663
   0.88523149  0.43183674  0.56809544
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840172    0.036112   -0.032784
    -0.000000   10.023661    0.152565
    -0.000000   -0.000000   13.727482
   Si   O    H 
    32    64    10
Direct configuration=   338
   0.15539163  0.13918760  0.00540904
   0.40522086  0.07034909  0.39013910
   0.15048479  0.40055661  0.13439404
   0.38877877  0.33417521  0.25838665
   0.13936814  0.15361387  0.49101566
   0.39359061  0.11059530  0.88745930
   0.10500541  0.40970769  0.61810728
   0.33825654  0.36463596  0.75338951
   0.13852926  0.65598347  0.01758828
   0.38094365  0.58601839  0.36678857
   0.10087570  0.90256287  0.14287668
   0.36478494  0.83114855  0.25582400
   0.13344280  0.66264551  0.48730998
   0.37650584  0.63337786  0.87137647
   0.06466401  0.91453333  0.61308554
   0.31821555  0.96701904  0.72177881
   0.63334366  0.13399983  1.01890391
   0.87436041  0.10983787  0.37411023
   0.62534851  0.40403286  0.12600472
   0.89814270  0.30290800  0.21135612
   0.64601053  0.18605950  0.51854642
   0.88820354  0.11300545  0.88823122
   0.57911235  0.43071933  0.62846145
   0.77149794  0.35675057  0.80529625
   0.63436150  0.65849397 -0.00521295
   0.88599440  0.57583796  0.37627369
   0.58760837  0.89845228  0.13051071
   0.83156233  0.84716060  0.25820547
   0.63672947  0.64795173  0.48307154
   0.90116054  0.59746185  0.87285073
   0.61257278  0.97267352  0.65724221
   0.84683339  0.87091473  0.76276812
   0.10860178  0.07485425  0.13183878
   0.37758171  0.18442762  0.30372886
   0.12687596  0.30709553  0.04376631
   0.32864878  0.42367360  0.35769739
   0.54789856  0.37500080  0.21921534
   0.30872977  0.38110836  0.15917659
   0.28786241  0.09549980  0.47078446
   0.02460773  0.15597761  0.39823797
   0.06147111  0.06733107  0.57984712
   0.38483828  0.22926014  0.80752788
   0.16405326  0.30526253  0.53975945
   0.39067902  0.47947395  0.83650813
   0.43049606  0.37006910  0.65738496
   0.18366218  0.37553950  0.72223848
   0.30906333  0.15403422 -0.01786683
   0.03375635  0.18121248  0.91955970
   0.11312686  0.55696627  0.10961334
   0.39914007  0.67750500  0.26502292
   0.11984801  0.80799133  0.05411564
   0.39829051  0.91607494  0.34977079
   0.42729144  0.89220214  0.15406286
   0.19404035  0.85576838  0.23282313
   0.28924593  0.67345918  0.43954935
   0.05664870  0.58940019  0.39847221
   0.13932999  0.55873945  0.58110031
   0.30666446  0.71185785  0.78112873
   0.08533848  0.80341938  0.52132809
   0.34302941  0.96715933  0.83692123
   0.45817497  0.92191273  0.66395648
   0.17716380  0.89802640  0.69417309
   0.28553969  0.64560031 -0.02343879
   0.03751769  0.63125919  0.93014391
   0.61675462  0.05455323  0.12362979
   0.83126945  0.19640489  0.28149675
   0.61578523  0.29521139  0.04032905
   0.84181902  0.43447501  0.33531373
   0.05146292  0.36684201  0.22996488
   0.78786684  0.39555850  0.15667569
   0.80173400  0.15741345  0.47690439
   0.54110591  0.10212329  0.44747256
   0.60604547  0.12953482  0.62174628
   0.80524888  0.19388312  0.80065374
   0.61702383  0.34561564  0.53303808
   0.91395664  0.44040388  0.83854823
   0.94488325  0.36746382  0.61370542
   0.69529729  0.39707981  0.70514783
   0.79456860  0.09235250  0.98766231
   0.55590453  0.08680996  0.92046866
   0.59061270  0.55296770  0.07668676
   0.84744332  0.69160998  0.29349142
   0.63060075  0.79760035  0.04756466
   0.85054943  0.95356196  0.35181197
   0.93911131  0.87593105  0.16727701
   0.68552601  0.85785673  0.22609467
   0.78805533  0.60009314  0.46741538
   0.53480127  0.57657235  0.40831602
   0.59347112  0.58943467  0.58752714
   0.86973854  0.71241698  0.79263474
   0.59996661  0.79528918  0.44868729
   0.92634168  0.96331080  0.84368887
   0.91692419  0.87980214  0.65098235
   0.68857396  0.93147745  0.75447749
   0.78226551  0.61371072  0.95461793
   0.52482777  0.67487708  0.90669028
   0.70586581  0.91554074  0.57415202
   0.62265758  0.88521402  0.46038005
   0.91344469  0.19264741  0.12689604
   0.81134863  0.37813852  0.38149644
   0.29998748  0.08896497  0.67372549
   0.22591072  0.67524253  0.74731739
  -0.00082142  1.14810647  0.15083146
   0.15589462  0.98761226 -0.00216331
   0.66451713  0.38188325  0.88212399
   0.88555517  0.43350689  0.56726697
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840214    0.035163   -0.032561
    -0.000000   10.021771    0.148316
    -0.000000   -0.000000   13.726648
   Si   O    H 
    32    64    10
Direct configuration=   339
   0.15618938  0.13976173  0.00590199
   0.40514604  0.07092005  0.39004584
   0.15086966  0.39964648  0.13510069
   0.38914329  0.33405637  0.25777253
   0.13885240  0.15543698  0.49064516
   0.39280893  0.11064098  0.88691068
   0.10247826  0.41063741  0.61849986
   0.33838399  0.36451925  0.75293267
   0.13784726  0.65724588  0.01762977
   0.38034227  0.58504143  0.36582164
   0.10202210  0.90322227  0.14394216
   0.36451285  0.83093776  0.25676214
   0.13367764  0.66363739  0.48761265
   0.37711358  0.63419535  0.87206344
   0.06437695  0.91454646  0.61367962
   0.31818679  0.96725921  0.72224021
   0.63369042  0.13321112  1.01833544
   0.87437127  0.11077562  0.37507976
   0.62565994  0.40478938  0.12556787
   0.89815116  0.30299710  0.21076868
   0.64695344  0.18654525  0.51796666
   0.88861713  0.11360324  0.88774220
   0.57969772  0.43091864  0.62811095
   0.77175342  0.35783675  0.80582167
   0.63404885  0.65739752 -0.00574144
   0.88667447  0.57674973  0.37683679
   0.58709892  0.89840391  0.13041984
   0.83204892  0.84671665  0.25867515
   0.63822353  0.64713394  0.48327267
   0.90038051  0.59635805  0.87215672
   0.61269327  0.97337997  0.65693913
   0.84611515  0.87062609  0.76338597
   0.10932859  0.07276953  0.13297220
   0.37570558  0.18560801  0.30333821
   0.12800848  0.30664724  0.04409593
   0.32879145  0.42577125  0.35697428
   0.54768670  0.37548189  0.21983867
   0.31044898  0.38089554  0.16042070
   0.28792622  0.09547044  0.47085829
   0.02512547  0.15443800  0.39879297
   0.06008016  0.06733304  0.57857538
   0.38380509  0.22823495  0.80725928
   0.16397798  0.30473817  0.53986603
   0.39076834  0.47980237  0.83688579
   0.43075487  0.37034878  0.65644318
   0.18266775  0.37576007  0.72372614
   0.31227682  0.15325546 -0.01714514
   0.03553620  0.18161160  0.91969021
   0.11555854  0.55622569  0.11001322
   0.39922526  0.67823437  0.26418207
   0.11939595  0.80795692  0.05439962
   0.40031085  0.91679134  0.34995310
   0.42621427  0.89202165  0.15541500
   0.19298950  0.85602096  0.23324460
   0.29127710  0.67093229  0.44079470
   0.05719707  0.58894991  0.39913959
   0.13917180  0.55855098  0.58061444
   0.30495762  0.71256531  0.78124873
   0.08579587  0.80196784  0.52183037
   0.34351428  0.96759586  0.83734336
   0.45604852  0.92263616  0.66253068
   0.17595833  0.89806062  0.69254942
   0.28368889  0.64608964 -0.02347136
   0.03876513  0.62902785  0.92884444
   0.61647423  0.05556712  0.12344717
   0.83084139  0.19589234  0.28213035
   0.61626580  0.29561741  0.03968837
   0.84445021  0.43792068  0.33477997
   0.05084814  0.36762987  0.22940245
   0.78714059  0.39654459  0.15690278
   0.80160027  0.15635651  0.47559248
   0.54191652  0.10117326  0.44686460
   0.60532364  0.12944338  0.62289317
   0.80707678  0.19359928  0.80101873
   0.61538974  0.34641778  0.53448332
   0.91323698  0.44056589  0.83884890
   0.94546464  0.36818424  0.61426737
   0.69521802  0.39727191  0.70389074
   0.79418878  0.09216733  0.98771093
   0.55463823  0.08800807  0.92064234
   0.58952391  0.55339421  0.07701754
   0.84789934  0.69006491  0.29406021
   0.63196222  0.79690879  0.04754014
   0.85071713  0.95489391  0.35157079
   0.93774616  0.87509681  0.16822201
   0.68377229  0.85885566  0.22679730
   0.78801240  0.59799714  0.46718950
   0.53493164  0.57332501  0.40808552
   0.59268160  0.59154876  0.58871110
   0.86888666  0.71087960  0.79312029
   0.59848012  0.79459715  0.44982348
   0.92440286  0.96508705  0.84357573
   0.91628465  0.87848304  0.65155784
   0.68954250  0.93073201  0.75435256
   0.78456267  0.61270612  0.95484899
   0.52472446  0.67482947  0.90553197
   0.69753757  0.91527735  0.57188397
   0.61930610  0.88520248  0.46156367
   0.92414818  0.18724308  0.12632274
   0.80236889  0.37386426  0.38054551
   0.30411780  0.08762353  0.67386332
   0.23243826  0.67640490  0.74913560
  -0.01431368  1.15146779  0.14980810
   0.14990726  0.99720594 -0.00636622
   0.66119027  0.38506607  0.88303905
   0.89190616  0.42658676  0.57402173
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840257    0.034647   -0.032312
    -0.000000   10.020280    0.144659
    -0.000000   -0.000000   13.726101
   Si   O    H 
    32    64    10
Direct configuration=   340
   0.15595163  0.14098407  0.00647281
   0.40512429  0.07201247  0.38954202
   0.15171158  0.39834935  0.13528373
   0.38911462  0.33409490  0.25754298
   0.13788083  0.15677106  0.49025924
   0.39231176  0.11043482  0.88642629
   0.10020167  0.41132760  0.61888669
   0.33858411  0.36472804  0.75254464
   0.13716905  0.65819490  0.01771078
   0.38010421  0.58421061  0.36505493
   0.10296704  0.90387583  0.14465789
   0.36442696  0.83093403  0.25749047
   0.13329863  0.66363631  0.48783103
   0.37767947  0.63426751  0.87284203
   0.06371803  0.91387598  0.61392080
   0.31786265  0.96702910  0.72264250
   0.63445818  0.13260848  1.01733581
   0.87520746  0.11145041  0.37606103
   0.62648627  0.40663799  0.12484961
   0.89777654  0.30405553  0.20988218
   0.64767600  0.18742620  0.51740927
   0.88896409  0.11420514  0.88682883
   0.57968549  0.43169858  0.62816663
   0.77157943  0.35859124  0.80614956
   0.63412794  0.65631569 -0.00619021
   0.88746616  0.57818964  0.37750187
   0.58683761  0.89838231  0.13046380
   0.83341290  0.84592124  0.25949896
   0.63879645  0.64653145  0.48347161
   0.89948717  0.59532078  0.87158962
   0.61291016  0.97396618  0.65602742
   0.84570970  0.87023764  0.76374299
   0.11019904  0.07151929  0.13363247
   0.37347854  0.18635283  0.30247513
   0.12919705  0.30559093  0.04499282
   0.32820582  0.42918694  0.35527795
   0.54708172  0.37586403  0.22136827
   0.31262353  0.38077732  0.16168184
   0.28689425  0.09561428  0.47073617
   0.02602799  0.15247414  0.39943977
   0.05867344  0.06754127  0.57735174
   0.38280896  0.22763651  0.80666424
   0.16328405  0.30431331  0.54034866
   0.39052678  0.48011411  0.83666297
   0.43148009  0.37113462  0.65574826
   0.18166903  0.37589302  0.72518229
   0.31453670  0.15329684 -0.01657264
   0.03706181  0.18130405  0.91897764
   0.11802669  0.55491667  0.11024502
   0.39866521  0.67772458  0.26375198
   0.11909643  0.80787556  0.05422355
   0.40142080  0.91778269  0.35103144
   0.42562232  0.89233743  0.15658232
   0.19229024  0.85524212  0.23400158
   0.29299777  0.66822026  0.44200310
   0.05654123  0.58936034  0.39937001
   0.13845974  0.55820226  0.57990498
   0.30421329  0.71428924  0.78141280
   0.08558333  0.80085608  0.52258704
   0.34415128  0.96814347  0.83822569
   0.45424693  0.92284685  0.66104122
   0.17530944  0.89756623  0.69179968
   0.28271604  0.64614498 -0.02433925
   0.03932061  0.62703765  0.92794550
   0.61559739  0.05608728  0.12303438
   0.83035931  0.19504280  0.28289679
   0.61635806  0.29569588  0.03878906
   0.84693834  0.44001499  0.33451705
   0.04973611  0.36864823  0.22888667
   0.78714514  0.39744053  0.15768016
   0.80098785  0.15604866  0.47436257
   0.54298022  0.10024172  0.44653809
   0.60417065  0.12992267  0.62407364
   0.80830178  0.19326141  0.80212503
   0.61345332  0.34722859  0.53545963
   0.91268880  0.44087650  0.83813629
   0.94559798  0.36880705  0.61469872
   0.69549768  0.39731572  0.70316555
   0.79399294  0.09267281  0.98755769
   0.55215779  0.08919915  0.92088007
   0.58876886  0.55376698  0.07755704
   0.84935989  0.68930251  0.29484496
   0.63365624  0.79681379  0.04741714
   0.85113460  0.95623042  0.35123618
   0.93643029  0.87421825  0.16917295
   0.68133444  0.86003425  0.22707195
   0.78842593  0.59652164  0.46726818
   0.53520403  0.57047661  0.40811756
   0.59225497  0.59282512  0.59063860
   0.86677686  0.70956092  0.79299681
   0.59639060  0.79363406  0.45129780
   0.92264802  0.96652143  0.84335613
   0.91577419  0.87777162  0.65244583
   0.69051602  0.92977300  0.75517117
   0.78578947  0.61179382  0.95498329
   0.52506036  0.67450531  0.90451154
   0.68472929  0.91785202  0.57414097
   0.62010428  0.88463010  0.46631094
   0.92771197  0.18904556  0.11871604
   0.79522261  0.37346614  0.37954988
   0.30372052  0.09686373  0.67345912
   0.22610320  0.67142501  0.74607828
  -0.01946024  1.14749933  0.15179153
   0.14823501  1.00339120 -0.01215754
   0.66155962  0.38684443  0.87971815
   0.89203787  0.42446244  0.57845396
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840242    0.034038   -0.031832
    -0.000000   10.018171    0.141052
    -0.000000   -0.000000   13.725150
   Si   O    H 
    32    64    10
Direct configuration=   341
   0.15478977  0.14256004  0.00689193
   0.40545878  0.07294666  0.38908147
   0.15221077  0.39715321  0.13565734
   0.38855521  0.33386752  0.25770918
   0.13750294  0.15821164  0.48976837
   0.39180166  0.10993491  0.88629374
   0.09858497  0.41095998  0.61918313
   0.33883628  0.36565382  0.75230238
   0.13649084  0.65891447  0.01801004
   0.37978120  0.58372822  0.36385834
   0.10328970  0.90476183  0.14530125
   0.36398253  0.83150286  0.25774284
   0.13351588  0.66311954  0.48800730
   0.37748966  0.63371370  0.87370656
   0.06300274  0.91327498  0.61373776
   0.31760975  0.96680509  0.72305742
   0.63606604  0.13182805  1.01627972
   0.87569213  0.11220149  0.37707258
   0.62741871  0.40854189  0.12392603
   0.89707212  0.30499296  0.20925215
   0.64849191  0.18841193  0.51684223
   0.88985270  0.11493680  0.88611739
   0.57940691  0.43281856  0.62806958
   0.77093143  0.35935651  0.80657333
   0.63477900  0.65528832 -0.00677977
   0.88860168  0.57963027  0.37799016
   0.58618379  0.89794666  0.13075103
   0.83459143  0.84521104  0.26026732
   0.63858471  0.64609872  0.48319858
   0.89859714  0.59408619  0.87095658
   0.61318934  0.97474467  0.65497778
   0.84600585  0.86997529  0.76391895
   0.11054590  0.06947592  0.13437582
   0.37079627  0.18749095  0.30194974
   0.12982187  0.30445038  0.04542193
   0.32730473  0.43199084  0.35346017
   0.54583079  0.37561952  0.22348580
   0.31442638  0.38031997  0.16287003
   0.28695936  0.09565548  0.47072571
   0.02751080  0.15124776  0.39973694
   0.05777216  0.06788581  0.57628484
   0.38153415  0.22662639  0.80614287
   0.16239239  0.30443875  0.54121827
   0.39039416  0.47973184  0.83634982
   0.43145980  0.37221921  0.65553284
   0.18032245  0.37674051  0.72660382
   0.31622540  0.15368987 -0.01656916
   0.03828153  0.18078899  0.91865456
   0.12047270  0.55453728  0.10969443
   0.39845860  0.67681933  0.26370105
   0.11813324  0.80728878  0.05376625
   0.40229922  0.91921956  0.35194968
   0.42513734  0.89246254  0.15785400
   0.19258889  0.85448642  0.23451594
   0.29380218  0.66563945  0.44309614
   0.05515484  0.58921730  0.40018954
   0.13775319  0.55842982  0.57978649
   0.30277219  0.71647807  0.78146512
   0.08512704  0.80149214  0.52347309
   0.34478760  0.96899688  0.83883129
   0.45314284  0.92276497  0.65997130
   0.17523252  0.89674729  0.69148868
   0.28307406  0.64547978 -0.02526768
   0.03923691  0.62498159  0.92725873
   0.61412131  0.05643950  0.12242768
   0.82973017  0.19430322  0.28340229
   0.61603569  0.29573083  0.03779328
   0.84913174  0.44068757  0.33450613
   0.04787275  0.36932809  0.22830048
   0.78732728  0.39827053  0.15775382
   0.79993795  0.15582039  0.47383705
   0.54479387  0.09949918  0.44656617
   0.60275270  0.13144399  0.62534525
   0.80924144  0.19334079  0.80240593
   0.61131979  0.34650519  0.53564127
   0.91179068  0.44049742  0.83751846
   0.94635210  0.36934787  0.61484317
   0.69527150  0.39684296  0.70282105
   0.79440972  0.09384551  0.98758937
   0.54945772  0.08989423  0.92118299
   0.58752910  0.55371213  0.07796060
   0.85017938  0.68938399  0.29492267
   0.63529914  0.79787059  0.04743458
   0.85164345  0.95727571  0.35033530
   0.93571255  0.87344632  0.17034414
   0.67858185  0.86251780  0.22767809
   0.78978376  0.59502215  0.46744181
   0.53612930  0.56861227  0.40825096
   0.59170652  0.59359127  0.59270375
   0.86482608  0.70839857  0.79292581
   0.59441687  0.79415396  0.45200450
   0.92114659  0.96753909  0.84322182
   0.91510558  0.87685179  0.65383609
   0.69099111  0.92911842  0.75620761
   0.78698231  0.61103892  0.95517272
   0.52608581  0.67470836  0.90340356
   0.67373651  0.92088353  0.57376989
   0.62434814  0.88251151  0.47243758
   0.92683964  0.19146197  0.11045502
   0.79449986  0.38055300  0.37436158
   0.30224667  0.10543996  0.67480812
   0.22751949  0.67271215  0.74610849
  -0.01448003  1.13612490  0.15530485
   0.14629276  0.99958399 -0.01989823
   0.66612362  0.38829581  0.87570455
   0.87929461  0.43059591  0.57877021
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840325    0.033963   -0.031552
    -0.000000   10.016116    0.136857
    -0.000000   -0.000000   13.724524
   Si   O    H 
    32    64    10
Direct configuration=   342
   0.15309867  0.14408715  0.00698572
   0.40538498  0.07422427  0.38870090
   0.15318475  0.39564316  0.13591170
   0.38777894  0.33389931  0.25785506
   0.13661224  0.15980138  0.48950044
   0.39116741  0.10893461  0.88620233
   0.09763680  0.41007736  0.61929222
   0.33992898  0.36638546  0.75264063
   0.13628487  0.65939931  0.01873008
   0.37966266  0.58369819  0.36256454
   0.10320045  0.90495202  0.14591869
   0.36330949  0.83221006  0.25791957
   0.13416812  0.66257509  0.48815712
   0.37678241  0.63255661  0.87502639
   0.06328313  0.91284199  0.61316497
   0.31713133  0.96716739  0.72335009
   0.63782696  0.13086515  1.01499539
   0.87580756  0.11251836  0.37781226
   0.62786814  0.41032747  0.12308799
   0.89717470  0.30562724  0.20829585
   0.64850374  0.18974921  0.51636640
   0.89010243  0.11586530  0.88586551
   0.57909420  0.43455586  0.62791455
   0.77069313  0.35987631  0.80672527
   0.63512610  0.65407784 -0.00735108
   0.89075235  0.58141179  0.37836164
   0.58581504  0.89762094  0.13068128
   0.83554565  0.84500631  0.26107371
   0.63832336  0.64531461  0.48329465
   0.89825689  0.59234150  0.87038350
   0.61298827  0.97513946  0.65443693
   0.84652164  0.86965223  0.76397658
   0.11020109  0.06846900  0.13503094
   0.36808093  0.18802222  0.30156209
   0.12991219  0.30320454  0.04527488
   0.32726659  0.43380131  0.35170624
   0.54462146  0.37514037  0.22531978
   0.31561603  0.37938007  0.16373071
   0.28713145  0.09543116  0.47052485
   0.02997031  0.15000348  0.40000481
   0.05684396  0.06875092  0.57523895
   0.38225809  0.22660287  0.80458461
   0.16187943  0.30436687  0.54205235
   0.39063399  0.47931599  0.83577758
   0.43097860  0.37312383  0.65516775
   0.17848656  0.37746814  0.72812149
   0.31725259  0.15315560 -0.01633936
   0.03890494  0.17968085  0.91816659
   0.12286106  0.55502413  0.10929595
   0.39816200  0.67570483  0.26343046
   0.11686239  0.80695547  0.05329821
   0.40282211  0.92035282  0.35284364
   0.42500918  0.89248636  0.15885222
   0.19311511  0.85282478  0.23508510
   0.29447659  0.66391429  0.44384869
   0.05377798  0.58945396  0.40087523
   0.13715183  0.55847664  0.57932858
   0.30149809  0.71801843  0.78153474
   0.08420201  0.80227585  0.52433133
   0.34490511  0.97023467  0.83969656
   0.45225798  0.92231410  0.65890095
   0.17537144  0.89571575  0.69099600
   0.28425614  0.64465613 -0.02630218
   0.03964309  0.62317854  0.92658520
   0.61232272  0.05649533  0.12178361
   0.82918432  0.19413921  0.28343930
   0.61605133  0.29605338  0.03703027
   0.85228041  0.44176662  0.33437482
   0.04589417  0.36994198  0.22705760
   0.78737702  0.39879143  0.15760840
   0.79862397  0.15590866  0.47341475
   0.54630908  0.09891159  0.44646834
   0.60167308  0.13363156  0.62729113
   0.80960277  0.19422360  0.80247709
   0.60942193  0.34579916  0.53552740
   0.91087720  0.43913971  0.83703964
   0.94533617  0.37010186  0.61489227
   0.69575039  0.39640970  0.70276151
   0.79543921  0.09431901  0.98759431
   0.54700954  0.09098597  0.92181493
   0.58686850  0.55326925  0.07848394
   0.85134782  0.69023030  0.29458145
   0.63666802  0.79856720  0.04745774
   0.85146322  0.95720055  0.34945875
   0.93610186  0.87317589  0.17090021
   0.67585208  0.86492865  0.22770597
   0.79120336  0.59297608  0.46832244
   0.53791193  0.56684564  0.40805289
   0.59152334  0.59343153  0.59479261
   0.86341800  0.70723163  0.79264818
   0.59343521  0.79530855  0.45328533
   0.92021000  0.96907147  0.84284983
   0.91438232  0.87626631  0.65616285
   0.69139739  0.92782168  0.75659498
   0.78738143  0.61067088  0.95552623
   0.52804823  0.67534176  0.90221124
   0.67124652  0.92323081  0.57168800
   0.62776253  0.87939135  0.47741377
   0.92519979  0.19331367  0.11001113
   0.79183741  0.38797310  0.36757581
   0.30312288  0.11138177  0.67776917
   0.23029598  0.67825699  0.74740586
  -0.01006537  1.12745974  0.15457529
   0.14536445  0.99426287 -0.02581799
   0.66614429  0.39158946  0.87229896
   0.87154128  0.43184098  0.58345301
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840362    0.034062   -0.031607
    -0.000000   10.014475    0.132967
    -0.000000   -0.000000   13.723955
   Si   O    H 
    32    64    10
Direct configuration=   343
   0.15173604  0.14490906  0.00681536
   0.40457854  0.07543940  0.38834106
   0.15425062  0.39446175  0.13629159
   0.38732060  0.33361791  0.25783910
   0.13648833  0.16118319  0.48967288
   0.39020811  0.10832774  0.88641169
   0.09696808  0.40920885  0.61960548
   0.34156796  0.36710713  0.75272762
   0.13604182  0.65989900  0.01906510
   0.37966224  0.58371773  0.36170271
   0.10196023  0.90503689  0.14598330
   0.36226692  0.83320214  0.25764396
   0.13555439  0.66144122  0.48846318
   0.37598499  0.63141088  0.87601838
   0.06284152  0.91248298  0.61268349
   0.31660376  0.96782148  0.72318086
   0.63933450  0.13070712  1.01399553
   0.87584808  0.11280397  0.37886675
   0.62854680  0.41181717  0.12242995
   0.89781050  0.30635598  0.20724442
   0.64777587  0.19120644  0.51667702
   0.89050876  0.11613411  0.88596389
   0.57898749  0.43677078  0.62754771
   0.76989828  0.35978811  0.80649569
   0.63571590  0.65330984 -0.00785052
   0.89363593  0.58295256  0.37889476
   0.58563800  0.89763644  0.13045908
   0.83607112  0.84423631  0.26212964
   0.63731314  0.64464419  0.48407605
   0.89842814  0.59039309  0.87014030
   0.61258262  0.97542919  0.65398497
   0.84676427  0.86944515  0.76417721
   0.10953178  0.06771923  0.13547886
   0.36548086  0.18842538  0.30098189
   0.13070862  0.30221147  0.04515027
   0.32785450  0.43417267  0.34978677
   0.54362744  0.37410529  0.22716083
   0.31569778  0.37813737  0.16434114
   0.28641077  0.09555579  0.47057711
   0.03179919  0.14833314  0.40056761
   0.05555812  0.06909889  0.57396872
   0.38323521  0.22690669  0.80298141
   0.16097381  0.30423024  0.54264200
   0.39053816  0.47890638  0.83509195
   0.43063402  0.37481178  0.65480605
   0.17631760  0.37808401  0.72888309
   0.31799731  0.15276117 -0.01639579
   0.03871316  0.17811914  0.91783272
   0.12539537  0.55511791  0.10888413
   0.39790830  0.67434284  0.26354759
   0.11517393  0.80667530  0.05328708
   0.40267293  0.92226007  0.35326855
   0.42419558  0.89189509  0.15912811
   0.19435756  0.85105411  0.23559582
   0.29437587  0.66217052  0.44431385
   0.05153634  0.59004262  0.40231069
   0.13621197  0.55894449  0.57925776
   0.30055687  0.71965553  0.78269102
   0.08243168  0.80296085  0.52536788
   0.34470458  0.97191160  0.84019041
   0.45108053  0.92144532  0.65830594
   0.17595178  0.89401611  0.69090576
   0.28586130  0.64405153 -0.02720364
   0.04017103  0.62118664  0.92567588
   0.60982923  0.05690736  0.12120008
   0.82900522  0.19447658  0.28300890
   0.61586877  0.29606364  0.03682844
   0.85478437  0.44261999  0.33396794
   0.04385919  0.36903162  0.22653355
   0.78695540  0.39943002  0.15766588
   0.79726838  0.15600686  0.47349951
   0.54851986  0.09947630  0.44662380
   0.60119145  0.13540217  0.62945206
   0.81011391  0.19549340  0.80199771
   0.60743223  0.34511812  0.53449012
   0.90970917  0.43775685  0.83603852
   0.94355898  0.37102862  0.61502187
   0.69612401  0.39540180  0.70282290
   0.79638605  0.09482042  0.98704278
   0.54512644  0.09205281  0.92247576
   0.58591135  0.55255406  0.07901603
   0.85258763  0.69144310  0.29454646
   0.63783986  0.79963906  0.04736477
   0.85185713  0.95687644  0.34861741
   0.93644055  0.87356462  0.17169754
   0.67396767  0.86671485  0.22792328
   0.79207007  0.59174028  0.46998530
   0.53878223  0.56486745  0.40757167
   0.59156226  0.59300908  0.59657512
   0.86239140  0.70615614  0.79171098
   0.59332607  0.79638170  0.45476685
   0.91901786  0.97070407  0.84263525
   0.91362004  0.87652288  0.65857612
   0.69130697  0.92633183  0.75679223
   0.78740054  0.61052276  0.95609989
   0.53025944  0.67614973  0.90145023
   0.67538302  0.92239476  0.56986502
   0.62992021  0.87858303  0.48058440
   0.92247894  0.19707818  0.11635955
   0.78158273  0.38850112  0.36630077
   0.30207226  0.11240378  0.68333521
   0.22609173  0.68071817  0.74435755
  -0.00215352  1.12397056  0.14828519
   0.14624940  0.99071353 -0.02844745
   0.66404933  0.39554878  0.87293347
   0.87175042  0.42538928  0.59298307
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840147    0.034328   -0.031851
    -0.000000   10.012750    0.130075
    -0.000000   -0.000000   13.723375
   Si   O    H 
    32    64    10
Direct configuration=   344
   0.15064006  0.14547231  0.00636632
   0.40373754  0.07695190  0.38805911
   0.15450936  0.39349173  0.13648610
   0.38746108  0.33366116  0.25782662
   0.13610049  0.16220014  0.48973949
   0.38952987  0.10809216  0.88671532
   0.09673112  0.40803387  0.62002155
   0.34317175  0.36743305  0.75338106
   0.13623889  0.65962205  0.01932722
   0.38004739  0.58350513  0.36116443
   0.10064124  0.90537103  0.14587125
   0.36117831  0.83388756  0.25786078
   0.13638245  0.66060685  0.48845472
   0.37520028  0.63046397  0.87717475
   0.06302038  0.91286233  0.61195696
   0.31561014  0.96879642  0.72274955
   0.64031938  0.13133773  1.01332617
   0.87587503  0.11289539  0.38015399
   0.62916533  0.41308460  0.12227508
   0.89805106  0.30645060  0.20634859
   0.64658144  0.19286967  0.51692859
   0.89119382  0.11598564  0.88652204
   0.57884870  0.43902180  0.62771371
   0.76939461  0.35915114  0.80650837
   0.63556667  0.65353661 -0.00859022
   0.89664276  0.58427534  0.37921312
   0.58556532  0.89797096  0.13043880
   0.83652253  0.84362430  0.26326807
   0.63621638  0.64375111  0.48430052
   0.89853382  0.58903655  0.87015838
   0.61193351  0.97559588  0.65423600
   0.84653335  0.86876322  0.76412140
   0.10776925  0.06715010  0.13574126
   0.36349621  0.18786565  0.30069650
   0.13159190  0.30154536  0.04508227
   0.32840348  0.43375180  0.34816261
   0.54323399  0.37331429  0.22817103
   0.31477783  0.37732435  0.16440125
   0.28576228  0.09623124  0.47070206
   0.03343453  0.14667621  0.40060907
   0.05457992  0.06953345  0.57270841
   0.38436147  0.22717711  0.80183992
   0.16064898  0.30435882  0.54334332
   0.39062976  0.47856047  0.83435301
   0.43119599  0.37591828  0.65469141
   0.17331378  0.37836261  0.72934064
   0.31823042  0.15344928 -0.01658567
   0.03781866  0.17638512  0.91729668
   0.12808120  0.55519417  0.10917099
   0.39800303  0.67292979  0.26351449
   0.11393860  0.80671058  0.05295713
   0.40248215  0.92409302  0.35353050
   0.42437485  0.89227503  0.15831882
   0.19444367  0.84984937  0.23683430
   0.29423770  0.66054732  0.44480393
   0.04930925  0.59044624  0.40388221
   0.13571356  0.55979541  0.57901618
   0.29991702  0.72117172  0.78412283
   0.08050364  0.80340558  0.52579359
   0.34331230  0.97334847  0.84038806
   0.45036603  0.92041736  0.65768381
   0.17594897  0.89162722  0.69114114
   0.28741777  0.64252609 -0.02784814
   0.04106922  0.61925841  0.92471724
   0.60734303  0.05744319  0.12002493
   0.82784141  0.19514917  0.28285821
   0.61528447  0.29510112  0.03629430
   0.85664716  0.44258559  0.33351362
   0.04270356  0.36796261  0.22587088
   0.78672897  0.40027257  0.15780404
   0.79544917  0.15606775  0.47392993
   0.55023943  0.10034851  0.44612565
   0.60082322  0.13670837  0.63154114
   0.81051818  0.19789939  0.80162785
   0.60581867  0.34430962  0.53268550
   0.90849481  0.43725406  0.83519465
   0.94117904  0.37142883  0.61478045
   0.69709490  0.39429226  0.70304575
   0.79782263  0.09509775  0.98631418
   0.54381173  0.09311289  0.92318907
   0.58453116  0.55180526  0.07871173
   0.85345040  0.69257945  0.29435791
   0.63927202  0.80038793  0.04704411
   0.85195009  0.95651819  0.34800382
   0.93781051  0.87402242  0.17290233
   0.67235788  0.86897548  0.22811945
   0.79157532  0.59088622  0.47152430
   0.53949932  0.56379320  0.40660304
   0.59157425  0.59226555  0.59876021
   0.86131063  0.70517251  0.79045246
   0.59307217  0.79725289  0.45578851
   0.91801356  0.97175848  0.84251144
   0.91354901  0.87672956  0.66081260
   0.69068065  0.92434149  0.75648036
   0.78718485  0.61025671  0.95703309
   0.53205028  0.67657219  0.90043214
   0.68438880  0.92143365  0.56928486
   0.63091741  0.87971028  0.47673646
   0.92292120  0.20283687  0.12572755
   0.77295637  0.39245658  0.36431306
   0.29947241  0.10966142  0.68931939
   0.22684378  0.68390410  0.74075889
   0.00652907  1.11866775  0.13980286
   0.14714673  0.99346592 -0.02528599
   0.65969987  0.39784988  0.87412264
   0.86559753  0.42063405  0.59778343
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839471    0.034401   -0.031838
    -0.000000   10.010324    0.127151
    -0.000000   -0.000000   13.722500
   Si   O    H 
    32    64    10
Direct configuration=   345
   0.15007757  0.14640669  0.00627397
   0.40363288  0.07862107  0.38804957
   0.15448971  0.39307987  0.13635551
   0.38755057  0.33410084  0.25798335
   0.13641396  0.16326901  0.49045129
   0.38911869  0.10865802  0.88681589
   0.09689812  0.40710027  0.62010442
   0.34473573  0.36790348  0.75421986
   0.13678784  0.65899604  0.01929813
   0.38038014  0.58337499  0.36109174
   0.09911106  0.90509455  0.14600547
   0.35982836  0.83445371  0.25832054
   0.13756598  0.66044365  0.48872321
   0.37431097  0.62964993  0.87797358
   0.06266364  0.91326876  0.61124488
   0.31441693  0.96925907  0.72158340
   0.64130048  0.13209722  1.01297104
   0.87611424  0.11326330  0.38064673
   0.62942492  0.41411144  0.12244590
   0.89794449  0.30644867  0.20548090
   0.64499167  0.19381831  0.51736238
   0.89234424  0.11618051  0.88694916
   0.57865708  0.44043518  0.62773661
   0.76850200  0.35896785  0.80642970
   0.63545306  0.65458478 -0.00895382
   0.89944850  0.58537239  0.37940912
   0.58570138  0.89792059  0.13076340
   0.83646288  0.84360051  0.26432724
   0.63502510  0.64286988  0.48478594
   0.89899697  0.58802841  0.87025811
   0.61073355  0.97564104  0.65421208
   0.84633256  0.86735831  0.76424715
   0.10544147  0.06701406  0.13546692
   0.36145723  0.18619611  0.30091117
   0.13185371  0.30099983  0.04463132
   0.32888037  0.43245634  0.34680056
   0.54358195  0.37207492  0.22872258
   0.31327047  0.37647444  0.16334541
   0.28485661  0.09706100  0.47059993
   0.03508518  0.14622818  0.39986350
   0.05393964  0.06997070  0.57168073
   0.38623905  0.22697396  0.80090321
   0.16032120  0.30406194  0.54327441
   0.39075432  0.47836831  0.83387823
   0.43157287  0.37690920  0.65552743
   0.17105690  0.37879795  0.73031798
   0.31753792  0.15461866 -0.01634092
   0.03689725  0.17509490  0.91645127
   0.13108260  0.55553359  0.10930635
   0.39731307  0.67292377  0.26352465
   0.11303155  0.80779764  0.05291295
   0.40241277  0.92586556  0.35381789
   0.42492346  0.89232677  0.15732304
   0.19398499  0.84823427  0.23790510
   0.29394949  0.65912274  0.44525674
   0.04815476  0.59042108  0.40516710
   0.13479707  0.56019225  0.57939632
   0.29971187  0.72274676  0.78549281
   0.07829213  0.80358768  0.52592861
   0.34201664  0.97506712  0.84085987
   0.44961236  0.91981114  0.65759809
   0.17650125  0.88934199  0.69081616
   0.28924121  0.64144392 -0.02854429
   0.04174330  0.61717284  0.92446586
   0.60493745  0.05808585  0.11883201
   0.82732434  0.19557780  0.28265322
   0.61489965  0.29476275  0.03628786
   0.85776335  0.44158206  0.33356520
   0.04175742  0.36688968  0.22537825
   0.78565706  0.40125541  0.15774587
   0.79339845  0.15604474  0.47426113
   0.55166954  0.10117802  0.44579528
   0.60099425  0.13720894  0.63334775
   0.81021108  0.20068620  0.80123547
   0.60436659  0.34431277  0.53071016
   0.90714320  0.43671700  0.83462197
   0.93950986  0.37141910  0.61500983
   0.69814630  0.39367029  0.70319375
   0.79872330  0.09567829  0.98561620
   0.54268675  0.09314294  0.92323590
   0.58338578  0.55141614  0.07846832
   0.85411874  0.69406939  0.29426941
   0.64115038  0.80066517  0.04616756
   0.85194844  0.95553321  0.34814922
   0.93919037  0.87480498  0.17397432
   0.67113872  0.87113344  0.22926415
   0.79091291  0.58974388  0.47289108
   0.54034840  0.56356197  0.40577818
   0.59132428  0.59215036  0.59994782
   0.86030102  0.70446606  0.78917255
   0.59262351  0.79774275  0.45631401
   0.91691998  0.97271145  0.84203473
   0.91375637  0.87675733  0.66246078
   0.68906652  0.92329249  0.75635842
   0.78623956  0.60967436  0.95727769
   0.53294451  0.67714557  0.89918347
   0.69246994  0.92096463  0.57222358
   0.63113352  0.88183888  0.47393655
   0.92013540  0.20836510  0.13561631
   0.76960123  0.40232373  0.36151534
   0.29594969  0.10795632  0.69141910
   0.23268772  0.68861663  0.73927923
   0.01820231  1.10780714  0.13290155
   0.14766674  0.99991614 -0.01976326
   0.66022395  0.39471577  0.87589856
   0.85102846  0.42117256  0.60050628
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838459    0.034720   -0.031782
    -0.000000   10.007869    0.124755
    -0.000000   -0.000000   13.721422
   Si   O    H 
    32    64    10
Direct configuration=   346
   0.14985955  0.14697502  0.00587469
   0.40370056  0.08038542  0.38809832
   0.15430324  0.39305075  0.13604459
   0.38803356  0.33520548  0.25851016
   0.13576117  0.16442979  0.49125865
   0.38898316  0.10926018  0.88716671
   0.09748823  0.40629240  0.62024557
   0.34599387  0.36857092  0.75481250
   0.13722105  0.65837249  0.01888963
   0.38136496  0.58314112  0.36100458
   0.09714236  0.90494684  0.14599437
   0.35829648  0.83477859  0.25845396
   0.13951182  0.66033223  0.48887778
   0.37378326  0.62910242  0.87822669
   0.06259809  0.91420297  0.61054207
   0.31344835  0.96963706  0.72046774
   0.64225839  0.13270662  1.01253306
   0.87609494  0.11416819  0.38069246
   0.62952749  0.41440908  0.12223175
   0.89730075  0.30697236  0.20503557
   0.64336715  0.19418409  0.51826304
   0.89330430  0.11625503  0.88692976
   0.57938705  0.44108875  0.62795162
   0.76771498  0.35874779  0.80626556
   0.63488643  0.65568424 -0.00900364
   0.90135270  0.58597179  0.37952155
   0.58605475  0.89824070  0.13134464
   0.83614918  0.84430552  0.26469379
   0.63377411  0.64264448  0.48526217
   0.89957737  0.58792467  0.87036151
   0.60911113  0.97523758  0.65362447
   0.84655816  0.86653928  0.76444687
   0.10419955  0.06656607  0.13481102
   0.35996937  0.18432326  0.30168135
   0.13175104  0.30025840  0.04449851
   0.32908814  0.43111009  0.34559575
   0.54418946  0.37088815  0.22881189
   0.31152046  0.37574319  0.16147748
   0.28425471  0.09767570  0.47075234
   0.03762318  0.14557336  0.39927187
   0.05274462  0.07042080  0.57092105
   0.38848627  0.22665598  0.80027527
   0.16016308  0.30460317  0.54295297
   0.39083593  0.47833113  0.83353214
   0.43175871  0.37818413  0.65644635
   0.16936216  0.37956400  0.73107547
   0.31754721  0.15613202 -0.01619220
   0.03603393  0.17453029  0.91602030
   0.13463513  0.55647248  0.10896784
   0.39573288  0.67319684  0.26334585
   0.11224321  0.80889888  0.05198321
   0.40256766  0.92685113  0.35378995
   0.42487078  0.89205018  0.15631011
   0.19324603  0.84667669  0.23861651
   0.29360972  0.65791825  0.44554844
   0.04761776  0.59062029  0.40640781
   0.13435013  0.56010978  0.58012277
   0.29950226  0.72360906  0.78708788
   0.07567633  0.80303255  0.52658718
   0.34080806  0.97595246  0.84067961
   0.44918583  0.91940533  0.65786442
   0.17688050  0.88767744  0.69054603
   0.29044158  0.64058252 -0.02946714
   0.04194533  0.61491601  0.92483578
   0.60292846  0.05917627  0.11697577
   0.82695057  0.19599830  0.28226739
   0.61440453  0.29358905  0.03679592
   0.85848530  0.44046639  0.33349740
   0.04162522  0.36598210  0.22515903
   0.78446217  0.40289982  0.15739072
   0.79106516  0.15605370  0.47496065
   0.55236659  0.10270054  0.44516820
   0.60129870  0.13783273  0.63474400
   0.81014086  0.20384429  0.80091930
   0.60309693  0.34493390  0.52875943
   0.90624095  0.43709304  0.83362731
   0.93710832  0.37207318  0.61582992
   0.69898553  0.39263411  0.70278943
   0.79971597  0.09645460  0.98464753
   0.54234458  0.09226080  0.92375675
   0.58209903  0.55105308  0.07779224
   0.85505869  0.69455515  0.29400173
   0.64169286  0.80067686  0.04489502
   0.85194408  0.95513815  0.34855715
   0.94065131  0.87606193  0.17486378
   0.67113741  0.87331144  0.23068897
   0.79033344  0.58883196  0.47407445
   0.54117473  0.56371964  0.40538424
   0.59122823  0.59278156  0.60094522
   0.86004546  0.70371964  0.78721954
   0.59213513  0.79802122  0.45633054
   0.91551931  0.97267384  0.84172345
   0.91409834  0.87675750  0.66329737
   0.68676213  0.92245299  0.75658201
   0.78465255  0.60897924  0.95785038
   0.53340400  0.67729012  0.89833689
   0.69877912  0.92158355  0.57627577
   0.63225545  0.88650500  0.47128733
   0.91819268  0.20920860  0.13948947
   0.77242931  0.41481410  0.35719578
   0.29355885  0.10788514  0.69374421
   0.23998464  0.68980061  0.73895009
   0.01760054  1.10345315  0.12930268
   0.14798671  1.00596327 -0.01319336
   0.66117659  0.39179200  0.87605325
   0.84641641  0.41714610  0.60595119
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837052    0.034842   -0.031716
    -0.000000   10.005900    0.122677
    -0.000000   -0.000000   13.720381
   Si   O    H 
    32    64    10
Direct configuration=   347
   0.14909326  0.14728228  0.00499462
   0.40341915  0.08184430  0.38832341
   0.15407203  0.39280905  0.13534733
   0.38853188  0.33659436  0.25914761
   0.13565690  0.16504035  0.49223347
   0.38893753  0.11083960  0.88785226
   0.09822596  0.40594761  0.62025084
   0.34628275  0.36906139  0.75576119
   0.13700408  0.65765744  0.01854076
   0.38290313  0.58276518  0.36105222
   0.09552780  0.90395263  0.14582850
   0.35715125  0.83513511  0.25905106
   0.14134942  0.66055976  0.48930687
   0.37371435  0.62894877  0.87835968
   0.06213204  0.91515432  0.61000555
   0.31249929  0.96990400  0.71987522
   0.64274890  0.13357194  1.01248733
   0.87623113  0.11477095  0.38053481
   0.62877333  0.41426932  0.12218776
   0.89646517  0.30679591  0.20462888
   0.64230974  0.19386444  0.51924616
   0.89392426  0.11616197  0.88686476
   0.58010347  0.44122787  0.62768107
   0.76695684  0.35816255  0.80630806
   0.63497107  0.65664039 -0.00925017
   0.90223271  0.58647894  0.37935993
   0.58625597  0.89857464  0.13173061
   0.83547737  0.84487603  0.26494676
   0.63237386  0.64217031  0.48586476
   0.89957067  0.58821306  0.87073808
   0.60736500  0.97484461  0.65286793
   0.84684773  0.86512019  0.76462816
   0.10386830  0.06593149  0.13459190
   0.35945732  0.18251156  0.30223830
   0.13104812  0.29973348  0.04479276
   0.32904018  0.42957623  0.34438348
   0.54507832  0.37036692  0.22870570
   0.30916156  0.37507050  0.15918229
   0.28326537  0.09759234  0.47085246
   0.03979647  0.14561595  0.39818864
   0.05172962  0.07064384  0.57001868
   0.38988916  0.22606388  0.80021958
   0.15970028  0.30446869  0.54244202
   0.39080881  0.47800342  0.83330305
   0.43217894  0.38016985  0.65640765
   0.16789856  0.37974149  0.73147661
   0.31699192  0.15730151 -0.01558054
   0.03478001  0.17372569  0.91534871
   0.13777975  0.55821632  0.10841731
   0.39387592  0.67288267  0.26290564
   0.11196298  0.81014816  0.05151999
   0.40301936  0.92745039  0.35290652
   0.42514673  0.89211933  0.15476574
   0.19273633  0.84521639  0.23844709
   0.29304584  0.65753755  0.44550028
   0.04876143  0.59083628  0.40773071
   0.13399903  0.55915546  0.58155646
   0.29974278  0.72392114  0.78884653
   0.07395213  0.80151232  0.52718578
   0.33926624  0.97604373  0.83981440
   0.44914516  0.91861626  0.65785598
   0.17819640  0.88643113  0.69051464
   0.29096470  0.63925676 -0.02973783
   0.04267055  0.61286665  0.92523962
   0.60042145  0.05989441  0.11497822
   0.82645542  0.19636511  0.28165362
   0.61414625  0.29306772  0.03731912
   0.86015160  0.43927064  0.33368467
   0.04222645  0.36544903  0.22482441
   0.78286224  0.40535754  0.15720994
   0.78926054  0.15583189  0.47574902
   0.55229596  0.10397398  0.44506863
   0.60214018  0.13875703  0.63588633
   0.81064726  0.20635664  0.80086852
   0.60339592  0.34565633  0.52628179
   0.90588051  0.43698994  0.83269134
   0.93454760  0.37305690  0.61669493
   0.69973747  0.39261098  0.70266675
   0.80070908  0.09777308  0.98344754
   0.54315020  0.09129488  0.92438895
   0.58103165  0.55118412  0.07687139
   0.85548598  0.69519976  0.29414771
   0.64196843  0.80038397  0.04347009
   0.85212799  0.95436736  0.34925980
   0.94229216  0.87798766  0.17515280
   0.67141766  0.87502494  0.23145785
   0.78980595  0.58818352  0.47546953
   0.54212825  0.56420889  0.40504039
   0.59227418  0.59315237  0.60167970
   0.85972415  0.70421695  0.78504001
   0.59139587  0.79769391  0.45597663
   0.91382481  0.97202023  0.84146374
   0.91546747  0.87632968  0.66326039
   0.68493380  0.92171986  0.75704183
   0.78303996  0.60819580  0.95869204
   0.53319017  0.67734586  0.89779068
   0.70065441  0.92135585  0.57820751
   0.63328774  0.88837719  0.46977420
   0.92243295  0.20203932  0.13338076
   0.76850813  0.42276308  0.35167025
   0.29201705  0.11282637  0.69308336
   0.24667593  0.68788157  0.73408000
  -0.00316387  1.11113284  0.12938737
   0.15509817  1.00915764 -0.00929697
   0.66081337  0.38825486  0.87792286
   0.85014224  0.40937486  0.61365789
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835524    0.034981   -0.031767
    -0.000000   10.004013    0.120858
    -0.000000   -0.000000   13.719658
   Si   O    H 
    32    64    10
Direct configuration=   348
   0.14791545  0.14751933  0.00451095
   0.40275956  0.08308942  0.38905177
   0.15347931  0.39361531  0.13511119
   0.38901197  0.33712395  0.25947331
   0.13566857  0.16543325  0.49342873
   0.39008448  0.11251751  0.88826260
   0.09807516  0.40566679  0.62068600
   0.34661892  0.36981601  0.75667884
   0.13698777  0.65680494  0.01784414
   0.38447663  0.58224877  0.36139727
   0.09431760  0.90248104  0.14556814
   0.35559499  0.83529400  0.25979688
   0.14249519  0.66020521  0.48998891
   0.37432277  0.62856033  0.87780885
   0.06114427  0.91612716  0.61004299
   0.31170334  0.97012808  0.71959641
   0.64240695  0.13376676  1.01259366
   0.87713390  0.11529770  0.38013504
   0.62893662  0.41402164  0.12214513
   0.89586349  0.30652607  0.20443917
   0.64111867  0.19357875  0.52048468
   0.89423230  0.11580275  0.88699091
   0.58059160  0.44094939  0.62733889
   0.76622456  0.35768195  0.80659509
   0.63466411  0.65804424 -0.00918434
   0.90220607  0.58749657  0.37962473
   0.58701487  0.89905391  0.13199799
   0.83501917  0.84522303  0.26507944
   0.63113108  0.64169127  0.48667801
   0.89976677  0.58831592  0.87121229
   0.60535673  0.97515956  0.65236242
   0.84653539  0.86460761  0.76511279
   0.10350274  0.06580230  0.13427371
   0.35960950  0.18147027  0.30236865
   0.13003593  0.29981966  0.04515205
   0.32949665  0.42851039  0.34339067
   0.54557645  0.36973347  0.22844457
   0.30815393  0.37408893  0.15722074
   0.28257279  0.09658751  0.47153127
   0.04129562  0.14539664  0.39740044
   0.05092681  0.07098279  0.56954650
   0.39107834  0.22508598  0.80010108
   0.15940766  0.30450039  0.54206079
   0.38995321  0.47772413  0.83304585
   0.43308601  0.38248253  0.65615247
   0.16710654  0.38006209  0.73172907
   0.31651971  0.15929832 -0.01516653
   0.03366536  0.17311826  0.91435153
   0.14110720  0.56006609  0.10769082
   0.39223262  0.67341653  0.26262492
   0.11200915  0.81192974  0.05128720
   0.40343579  0.92731184  0.35209010
   0.42515261  0.89148689  0.15359191
   0.19189155  0.84370275  0.23845337
   0.29270764  0.65787916  0.44502595
   0.05128277  0.59188977  0.40886299
   0.13431322  0.55786477  0.58289986
   0.30010097  0.72401981  0.79032204
   0.07227001  0.79998371  0.52730082
   0.33788869  0.97503381  0.83865977
   0.44889661  0.91768985  0.65832100
   0.17981892  0.88506382  0.69011114
   0.29116507  0.63811920 -0.02977397
   0.04389807  0.61072301  0.92538657
   0.59714014  0.06058219  0.11271032
   0.82673384  0.19627285  0.28234342
   0.61422384  0.29249399  0.03768526
   0.86124590  0.43838552  0.33391617
   0.04287878  0.36541173  0.22423100
   0.78169278  0.40768828  0.15717385
   0.78865319  0.15526077  0.47644947
   0.55219862  0.10500253  0.44522557
   0.60218693  0.13921581  0.63626321
   0.81112127  0.20750141  0.80077664
   0.60435131  0.34687371  0.52356938
   0.90528141  0.43720740  0.83136227
   0.93322742  0.37404647  0.61747309
   0.70006382  0.39321439  0.70256855
   0.80201624  0.09951190  0.98220407
   0.54443139  0.09029561  0.92511549
   0.58021285  0.55119334  0.07615494
   0.85507198  0.69538850  0.29473334
   0.64150427  0.80060053  0.04203662
   0.85247632  0.95359391  0.35064325
   0.94338852  0.87928777  0.17577803
   0.67199810  0.87539980  0.23285683
   0.78937345  0.58789887  0.47607080
   0.54215047  0.56447594  0.40404092
   0.59385084  0.59446355  0.60205262
   0.85951283  0.70421279  0.78314206
   0.59175549  0.79731641  0.45615138
   0.91209257  0.97096524  0.84126488
   0.91701011  0.87536914  0.66244583
   0.68393962  0.92140052  0.75692268
   0.78187151  0.60741322  0.95918957
   0.53261300  0.67705520  0.89784160
   0.69849742  0.92417090  0.57941187
   0.63073614  0.88052076  0.46603221
   0.92328664  0.19328160  0.12348261
   0.75871552  0.43040117  0.34817963
   0.29010047  0.11447684  0.69362588
   0.25473956  0.68424487  0.73256269
  -0.01814785  1.11910781  0.13551766
   0.15949682  1.00394455 -0.00774556
   0.66093807  0.38474975  0.87979850
   0.84478991  0.40980319  0.62210869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834148    0.035102   -0.031464
    -0.000000   10.001917    0.119385
    -0.000000   -0.000000   13.719262
   Si   O    H 
    32    64    10
Direct configuration=   349
   0.14640956  0.14731549  0.00355200
   0.40158307  0.08372964  0.39011258
   0.15223166  0.39474433  0.13527162
   0.38960542  0.33672818  0.25994380
   0.13632128  0.16543128  0.49446910
   0.39148939  0.11360734  0.88828449
   0.09708478  0.40517373  0.62145305
   0.34570511  0.37023215  0.75712646
   0.13681589  0.65614880  0.01716345
   0.38645058  0.58181610  0.36172087
   0.09385594  0.90161310  0.14555293
   0.35409884  0.83537507  0.26030265
   0.14348177  0.66008938  0.49080814
   0.37524559  0.62797275  0.87677723
   0.06080796  0.91742615  0.61000887
   0.31137932  0.97024971  0.71900534
   0.64222737  0.13422133  1.01267332
   0.87826347  0.11528013  0.37960944
   0.62868288  0.41279407  0.12201713
   0.89496715  0.30592799  0.20463388
   0.63977441  0.19357482  0.52171040
   0.89407620  0.11505925  0.88677800
   0.58089994  0.43986370  0.62642248
   0.76560822  0.35737771  0.80718478
   0.63424697  0.65859736 -0.00897774
   0.90126082  0.58755286  0.37950009
   0.58757172  0.89930284  0.13213342
   0.83498412  0.84627078  0.26482607
   0.62987598  0.64099594  0.48819413
   0.89986611  0.58868535  0.87157875
   0.60385549  0.97472440  0.65178973
   0.84587032  0.86463150  0.76554275
   0.10266291  0.06617060  0.13385797
   0.36017570  0.18093366  0.30208465
   0.12816293  0.30046214  0.04541867
   0.33056214  0.42764019  0.34264698
   0.54656515  0.37002337  0.22825381
   0.30841846  0.37264350  0.15607225
   0.28229406  0.09506734  0.47252308
   0.04283532  0.14509226  0.39720861
   0.04971078  0.07069820  0.57005957
   0.39192173  0.22347157  0.80101909
   0.15955105  0.30474105  0.54168953
   0.38966627  0.47699555  0.83298217
   0.43448184  0.38448668  0.65627060
   0.16646395  0.38088946  0.73202652
   0.31510576  0.16087431 -0.01519481
   0.03338070  0.17229526  0.91384541
   0.14421172  0.56089359  0.10779309
   0.39168398  0.67399899  0.26236295
   0.11238570  0.81280760  0.05053446
   0.40386710  0.92622612  0.35188301
   0.42391907  0.89073040  0.15243995
   0.19038088  0.84357729  0.23821850
   0.29174419  0.65842262  0.44437228
   0.05397477  0.59245793  0.40975909
   0.13458370  0.55704381  0.58365382
   0.30074485  0.72355650  0.79232627
   0.07131988  0.79871188  0.52731990
   0.33717780  0.97396526  0.83682735
   0.44838058  0.91579438  0.65825586
   0.18139917  0.88398949  0.68931059
   0.29114686  0.63712038 -0.02881429
   0.04468735  0.60974415  0.92553752
   0.59439872  0.06202728  0.11056569
   0.82698188  0.19697046  0.28252884
   0.61466388  0.29248551  0.03758574
   0.86138775  0.43815633  0.33421710
   0.04287251  0.36591966  0.22462210
   0.78146560  0.40981851  0.15732494
   0.78831936  0.15432589  0.47674168
   0.55210970  0.10592746  0.44545060
   0.60266223  0.13886470  0.63631351
   0.81056180  0.20823167  0.80142349
   0.60524563  0.34833450  0.52157736
   0.90473552  0.43704247  0.83031018
   0.93210960  0.37402754  0.61808707
   0.70042516  0.39374002  0.70215337
   0.80235298  0.10067542  0.98175524
   0.54485283  0.08892731  0.92555286
   0.57893380  0.55151941  0.07536438
   0.85445629  0.69550622  0.29523620
   0.64118407  0.80130281  0.04077415
   0.85322842  0.95335905  0.35144581
   0.94366601  0.88045235  0.17693653
   0.67171017  0.87549773  0.23435528
   0.78889375  0.58771386  0.47606556
   0.54179978  0.56500602  0.40352589
   0.59533834  0.59628875  0.60305995
   0.85914276  0.70264390  0.78245049
   0.59255025  0.79589175  0.45651745
   0.91030694  0.97024236  0.84105783
   0.91826244  0.87514791  0.66109382
   0.68217015  0.92094674  0.75713548
   0.78079928  0.60633654  0.95998087
   0.53295952  0.67743075  0.89789364
   0.69618923  0.92764514  0.58022079
   0.63469414  0.88316077  0.46428858
   0.91965027  0.18930527  0.11551992
   0.75712394  0.43699855  0.34255345
   0.29043100  0.11367152  0.69121868
   0.26473414  0.68062004  0.73241555
  -0.02422595  1.12388781  0.14458284
   0.16103808  0.99662619 -0.00927375
   0.65760281  0.38053820  0.88068972
   0.83214588  0.41481504  0.63007573
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832342    0.035139   -0.031202
    -0.000000    9.999611    0.117704
    -0.000000   -0.000000   13.718807
   Si   O    H 
    32    64    10
Direct configuration=   350
   0.14542697  0.14677022  0.00304616
   0.40076543  0.08454757  0.39077015
   0.15164601  0.39630250  0.13516172
   0.38993843  0.33569252  0.26015376
   0.13612374  0.16526801  0.49552873
   0.39271900  0.11550755  0.88805607
   0.09639710  0.40507359  0.62204768
   0.34428604  0.37035726  0.75802549
   0.13708943  0.65550231  0.01622419
   0.38821016  0.58110316  0.36247545
   0.09397352  0.90017365  0.14587662
   0.35272364  0.83637763  0.26016524
   0.14414989  0.66059781  0.49148786
   0.37628173  0.62767848  0.87586336
   0.06050811  0.91821086  0.61019589
   0.31151083  0.97044434  0.71841296
   0.64245905  0.13496833  1.01308225
   0.87956508  0.11523708  0.37909412
   0.62793584  0.41125158  0.12211371
   0.89463350  0.30542515  0.20503805
   0.63863678  0.19382990  0.52282621
   0.89332079  0.11451151  0.88653437
   0.58087741  0.43809773  0.62574463
   0.76561459  0.35689992  0.80753476
   0.63317973  0.65897395 -0.00894443
   0.89997511  0.58720904  0.37902698
   0.58797847  0.89949597  0.13226017
   0.83386947  0.84703838  0.26464794
   0.62895331  0.64013335  0.48980770
   0.90011584  0.58915697  0.87179828
   0.60303118  0.97512968  0.65109195
   0.84493815  0.86554205  0.76599233
   0.10208993  0.06682067  0.13327499
   0.36113844  0.18050028  0.30161024
   0.12607166  0.30029698  0.04529005
   0.33218731  0.42763967  0.34231240
   0.54790099  0.37088942  0.22818885
   0.30858570  0.37153617  0.15532525
   0.28249765  0.09382286  0.47408172
   0.04444532  0.14456294  0.39720717
   0.04934869  0.07000580  0.57056964
   0.39290102  0.22205351  0.80142717
   0.16038469  0.30500335  0.54126246
   0.38918306  0.47667504  0.83300879
   0.43521278  0.38640664  0.65641498
   0.16776889  0.38131758  0.73209518
   0.31414905  0.16227490 -0.01497262
   0.03350597  0.17248517  0.91338829
   0.14659690  0.56106725  0.10817894
   0.39035604  0.67508049  0.26177311
   0.11249995  0.81403000  0.04951410
   0.40390022  0.92463986  0.35175161
   0.42194175  0.88960448  0.15166644
   0.18875184  0.84368691  0.23826137
   0.29207759  0.65892436  0.44365165
   0.05669073  0.59374362  0.41078405
   0.13517402  0.55639351  0.58432321
   0.30180331  0.72250080  0.79382421
   0.07113593  0.79737776  0.52781624
   0.33623395  0.97233899  0.83467562
   0.44773038  0.91409935  0.65783978
   0.18290488  0.88365331  0.68780612
   0.29080950  0.63600811 -0.02751348
   0.04550153  0.61012497  0.92533625
   0.59246808  0.06325637  0.10885937
   0.82771304  0.19775770  0.28306316
   0.61480455  0.29294075  0.03732624
   0.86012003  0.43782492  0.33501666
   0.04256664  0.36621948  0.22410163
   0.78182260  0.41150721  0.15745733
   0.78908478  0.15453669  0.47726806
   0.55077528  0.10718805  0.44546229
   0.60316815  0.13843610  0.63609347
   0.81049427  0.20771291  0.80184029
   0.60527940  0.35018409  0.51981220
   0.90460191  0.43678847  0.82906552
   0.92953169  0.37461231  0.61841904
   0.70028821  0.39472770  0.70110198
   0.80189149  0.10178444  0.98174651
   0.54588570  0.08720159  0.92528106
   0.57704336  0.55217785  0.07486082
   0.85404531  0.69598085  0.29527991
   0.64074712  0.80341897  0.03999249
   0.85374995  0.95341099  0.35178384
   0.94310732  0.88126177  0.17800471
   0.67144356  0.87467945  0.23537782
   0.78839402  0.58718643  0.47517921
   0.54128174  0.56501689  0.40238839
   0.59701373  0.59845679  0.60346728
   0.85947348  0.70008933  0.78172456
   0.59378785  0.79475994  0.45687363
   0.90913600  0.96900440  0.84073344
   0.91911961  0.87612727  0.65990949
   0.67999959  0.92099062  0.75745980
   0.77982454  0.60526114  0.96058096
   0.53331443  0.67724774  0.89731427
   0.69524726  0.92800185  0.57680412
   0.63813022  0.88466931  0.46411386
   0.91475358  0.19290504  0.10947410
   0.76405963  0.44361062  0.33808216
   0.28825690  0.11117305  0.68796180
   0.27443391  0.68350591  0.73190746
  -0.02620775  1.12521822  0.15335040
   0.15952970  0.99059516 -0.01550147
   0.65335432  0.37746702  0.88103526
   0.83348207  0.41553789  0.63523942
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830400    0.035147   -0.031069
    -0.000000    9.997587    0.115803
    -0.000000   -0.000000   13.718294
   Si   O    H 
    32    64    10
Direct configuration=   351
   0.14512954  0.14602302  0.00245409
   0.39973043  0.08491668  0.39117445
   0.15128637  0.39810796  0.13505502
   0.38995773  0.33465115  0.26006229
   0.13522403  0.16473852  0.49642980
   0.39337439  0.11684002  0.88752917
   0.09608713  0.40496238  0.62244913
   0.34233479  0.37005159  0.75865628
   0.13722046  0.65482706  0.01544220
   0.39036024  0.58091434  0.36314893
   0.09477001  0.89875620  0.14603171
   0.35191784  0.83691714  0.25981142
   0.14471131  0.66096021  0.49252551
   0.37678247  0.62750435  0.87491080
   0.06026451  0.91830312  0.61029225
   0.31194105  0.97058914  0.71817985
   0.64283092  0.13554728  1.01320331
   0.88045983  0.11480071  0.37851511
   0.62688241  0.40988100  0.12219054
   0.89436910  0.30456066  0.20535214
   0.63823271  0.19397586  0.52390767
   0.89230204  0.11445295  0.88613812
   0.58100606  0.43674224  0.62543814
   0.76555629  0.35587971  0.80822850
   0.63150166  0.65962932 -0.00921503
   0.89877527  0.58654132  0.37870339
   0.58812322  0.89946121  0.13210541
   0.83184463  0.84799862  0.26439664
   0.62850375  0.63905789  0.49169406
   0.89895909  0.59021923  0.87177494
   0.60197918  0.97512063  0.65079235
   0.84385605  0.86625681  0.76648012
   0.10217897  0.06715847  0.13268873
   0.36174846  0.18055286  0.30137558
   0.12390046  0.29975265  0.04477100
   0.33425179  0.42753545  0.34267360
   0.54874571  0.37147278  0.22817763
   0.30947459  0.37021537  0.15485767
   0.28233507  0.09233736  0.47521924
   0.04567911  0.14453974  0.39678493
   0.04952297  0.06964681  0.57132120
   0.39417752  0.22159055  0.80156956
   0.16150567  0.30503358  0.54047272
   0.38785141  0.47628067  0.83342114
   0.43539027  0.38751521  0.65641506
   0.16987312  0.38106227  0.73187209
   0.31266020  0.16372359 -0.01490035
   0.03350296  0.17221246  0.91231852
   0.14793368  0.56110366  0.10867356
   0.38926671  0.67547636  0.26161792
   0.11250456  0.81484692  0.04835111
   0.40325794  0.92357543  0.35199559
   0.42101545  0.88862362  0.15113044
   0.18736605  0.84314538  0.23862335
   0.29345376  0.65962216  0.44313193
   0.05864792  0.59406094  0.41109219
   0.13596602  0.55583930  0.58512731
   0.30338569  0.72153734  0.79552407
   0.07149119  0.79710715  0.52838993
   0.33487348  0.97129476  0.83293444
   0.44653808  0.91239120  0.65763382
   0.18442584  0.88369770  0.68644793
   0.28981028  0.63592789 -0.02631095
   0.04678277  0.61156406  0.92496094
   0.59106792  0.06379433  0.10816198
   0.82825408  0.19790744  0.28319746
   0.61460250  0.29255227  0.03686867
   0.85931249  0.43758872  0.33597416
   0.04250382  0.36606641  0.22388748
   0.78383410  0.41259819  0.15786026
   0.79018128  0.15453406  0.47780719
   0.54969725  0.10867020  0.44505584
   0.60391177  0.13833284  0.63561408
   0.81043902  0.20605590  0.80264756
   0.60509153  0.35213437  0.51786955
   0.90464709  0.43620348  0.82839305
   0.92715315  0.37548160  0.61946081
   0.69971921  0.39629481  0.69986097
   0.80057361  0.10364003  0.98188373
   0.54702759  0.08474542  0.92488134
   0.57588691  0.55293515  0.07419344
   0.85346067  0.69583777  0.29514744
   0.64087555  0.80615766  0.03960529
   0.85407193  0.95413653  0.35227773
   0.94198565  0.88128329  0.17915821
   0.67112240  0.87298667  0.23578454
   0.78815856  0.58706623  0.47402338
   0.54117050  0.56525400  0.40172809
   0.59894956  0.60046993  0.60383901
   0.85942110  0.69735767  0.78163412
   0.59469599  0.79432589  0.45726406
   0.90887921  0.96747478  0.84041062
   0.91918866  0.87705716  0.65903905
   0.67886115  0.92226550  0.75755557
   0.78028855  0.60473956  0.96141504
   0.53309763  0.67722707  0.89714156
   0.69521290  0.92610810  0.57171238
   0.64131784  0.88004322  0.46379314
   0.91019899  0.20062105  0.11401062
   0.76279087  0.45139459  0.33503013
   0.28598608  0.10834929  0.68460710
   0.28209681  0.68329657  0.73006572
  -0.02349821  1.12777628  0.15835348
   0.15783966  0.98899202 -0.02301099
   0.65252530  0.37268045  0.87872856
   0.84437258  0.41328842  0.63781118
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827742    0.035427   -0.030353
    -0.000000    9.995160    0.113896
    -0.000000   -0.000000   13.717746
   Si   O    H 
    32    64    10
Direct configuration=   352
   0.14502716  0.14485599  0.00208808
   0.39866648  0.08446850  0.39194330
   0.15052357  0.40008779  0.13454379
   0.39035467  0.33395724  0.25994867
   0.13432891  0.16350058  0.49721713
   0.39426044  0.11733196  0.88693843
   0.09565323  0.40525904  0.62296908
   0.34015341  0.36910739  0.75866932
   0.13771353  0.65468804  0.01465268
   0.39158489  0.58160093  0.36384954
   0.09581685  0.89713389  0.14608744
   0.35177685  0.83668744  0.25902530
   0.14554583  0.66124917  0.49366780
   0.37667310  0.62740925  0.87370570
   0.06029315  0.91828193  0.61007183
   0.31285212  0.97073083  0.71821913
   0.64302824  0.13593387  1.01319598
   0.88052670  0.11415033  0.37792922
   0.62585844  0.40843396  0.12253687
   0.89437726  0.30339196  0.20561207
   0.63780535  0.19385170  0.52525747
   0.89074170  0.11436642  0.88608685
   0.58059209  0.43604297  0.62447798
   0.76522691  0.35520675  0.80882952
   0.63017231  0.65988009 -0.00965871
   0.89790243  0.58623008  0.37875733
   0.58837310  0.89959777  0.13228887
   0.83021111  0.84903434  0.26408127
   0.62820349  0.63877868  0.49328514
   0.89769461  0.59073002  0.87139503
   0.60142008  0.97459896  0.65054622
   0.84285904  0.86647227  0.76700422
   0.10184926  0.06817992  0.13195567
   0.36248448  0.18050414  0.30091899
   0.12163521  0.29983685  0.04434879
   0.33598766  0.42825263  0.34331579
   0.54927642  0.37176782  0.22790668
   0.31079183  0.36862178  0.15494116
   0.28249735  0.09045441  0.47587587
   0.04630618  0.14434159  0.39632728
   0.05014097  0.06906135  0.57245124
   0.39549849  0.22136724  0.80178163
   0.16226216  0.30493342  0.54045894
   0.38737585  0.47581119  0.83355151
   0.43428705  0.38908215  0.65649284
   0.17210255  0.38221247  0.73157757
   0.31109497  0.16505208 -0.01436332
   0.03328585  0.17254257  0.91098579
   0.14806240  0.56077939  0.10887079
   0.38813068  0.67569459  0.26152957
   0.11295906  0.81471385  0.04700370
   0.40229413  0.92341369  0.35184134
   0.41990948  0.88723227  0.15071638
   0.18621349  0.84312229  0.23923315
   0.29503499  0.66060738  0.44248309
   0.05952280  0.59439048  0.41021638
   0.13687021  0.55489091  0.58600113
   0.30573997  0.72070841  0.79668140
   0.07158914  0.79764735  0.52908085
   0.33285007  0.97073562  0.83178529
   0.44613888  0.91072787  0.65712707
   0.18538374  0.88351607  0.68446783
   0.28956559  0.63676458 -0.02601523
   0.04764762  0.61330330  0.92450992
   0.58906252  0.06300051  0.10801376
   0.82857947  0.19905933  0.28351085
   0.61481528  0.29373051  0.03589380
   0.85984437  0.43753881  0.33634189
   0.04233155  0.36646202  0.22433922
   0.78530318  0.41315328  0.15825014
   0.79142909  0.15471448  0.47816992
   0.54768944  0.10920314  0.44456798
   0.60359787  0.13776176  0.63482618
   0.81062798  0.20364777  0.80339223
   0.60466759  0.35452557  0.51604064
   0.90394380  0.43514188  0.82846335
   0.92777623  0.37640614  0.62045580
   0.69941914  0.39731859  0.69845897
   0.79866850  0.10456935  0.98220954
   0.54751423  0.08316803  0.92431296
   0.57520569  0.55315120  0.07386298
   0.85205904  0.69597345  0.29537788
   0.64181221  0.80893291  0.03938723
   0.85506699  0.95531576  0.35257949
   0.94091836  0.88133989  0.18036634
   0.67170627  0.87079846  0.23574105
   0.78819769  0.58656859  0.47315401
   0.54175690  0.56587441  0.40208803
   0.60037441  0.60220274  0.60496003
   0.86002735  0.69527750  0.78179585
   0.59537971  0.79501640  0.45831110
   0.90882988  0.96528921  0.84018092
   0.91942752  0.87736228  0.65899746
   0.67872649  0.92272407  0.75774177
   0.78173366  0.60444448  0.96222101
   0.53268172  0.67607962  0.89679980
   0.69396364  0.92588381  0.56849690
   0.64233976  0.87082771  0.46609249
   0.90355139  0.20477778  0.12479175
   0.75500349  0.45763602  0.33377605
   0.28535246  0.10601555  0.68173829
   0.28956492  0.68241109  0.73328945
  -0.01254739  1.13216058  0.15867142
   0.15447905  0.99640834 -0.02879392
   0.65175157  0.37003385  0.87838836
   0.84568934  0.41633687  0.64352464
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824834    0.035217   -0.029674
    -0.000000    9.992431    0.111742
    -0.000000   -0.000000   13.717079
   Si   O    H 
    32    64    10
Direct configuration=   353
   0.14462816  0.14371610  0.00210433
   0.39792899  0.08354516  0.39225578
   0.14971113  0.40144021  0.13365540
   0.39108632  0.33346515  0.25947920
   0.13330105  0.16157127  0.49785841
   0.39518116  0.11711578  0.88681064
   0.09550099  0.40651377  0.62341917
   0.33813047  0.36830175  0.75813919
   0.13782935  0.65550887  0.01398735
   0.39222990  0.58269920  0.36431744
   0.09641437  0.89565897  0.14586486
   0.35193226  0.83603494  0.25820431
   0.14615115  0.66123605  0.49490752
   0.37700191  0.62738466  0.87268525
   0.06039476  0.91822674  0.61028805
   0.31336204  0.97095822  0.71801491
   0.64323895  0.13643256  1.01304332
   0.88066628  0.11372775  0.37749487
   0.62515100  0.40728637  0.12255623
   0.89456920  0.30301368  0.20567218
   0.63792433  0.19398469  0.52632657
   0.88867140  0.11404161  0.88581281
   0.58008955  0.43542210  0.62353755
   0.76442121  0.35497073  0.80903983
   0.62936395  0.66008219 -0.01016521
   0.89740682  0.58631097  0.37898404
   0.58870903  0.89993752  0.13228267
   0.82832163  0.85028910  0.26380989
   0.62832453  0.63882281  0.49445681
   0.89674840  0.59133677  0.87128299
   0.60164933  0.97381117  0.65036488
   0.84246495  0.86667658  0.76700166
   0.10083837  0.06942175  0.13025369
   0.36322103  0.18044768  0.29991060
   0.11841466  0.29998964  0.04396827
   0.33893078  0.42908727  0.34455821
   0.54972425  0.37220624  0.22699959
   0.31290278  0.36669345  0.15504116
   0.28152278  0.08899875  0.47704224
   0.04689093  0.14355240  0.39573376
   0.05030090  0.06853785  0.57320475
   0.39580034  0.22223174  0.80126119
   0.16279129  0.30558726  0.54046755
   0.38719350  0.47470828  0.83366538
   0.43230435  0.39046767  0.65611347
   0.17486847  0.38339034  0.73174544
   0.31022295  0.16686659 -0.01371431
   0.03345836  0.17315461  0.90968275
   0.14761174  0.56068813  0.10869173
   0.38673127  0.67528546  0.26200874
   0.11364697  0.81417106  0.04511836
   0.40099985  0.92395004  0.35112770
   0.42020814  0.88577544  0.15091159
   0.18550444  0.84281329  0.23990614
   0.29629119  0.66276000  0.44245877
   0.05981834  0.59437352  0.40884031
   0.13720310  0.55348651  0.58719648
   0.30771595  0.71978763  0.79743310
   0.07178110  0.79862394  0.52928760
   0.33113234  0.97054498  0.83143690
   0.44604033  0.90998254  0.65683668
   0.18598328  0.88297359  0.68304354
   0.28984238  0.63817858 -0.02573210
   0.04765617  0.61472450  0.92415315
   0.58699645  0.06213376  0.10750320
   0.82882541  0.20041862  0.28356432
   0.61547637  0.29440259  0.03487766
   0.86133430  0.43842997  0.33637640
   0.04238081  0.36644258  0.22438839
   0.78697852  0.41359162  0.15828154
   0.79298404  0.15483097  0.47859556
   0.54532725  0.10971165  0.44450740
   0.60332915  0.13690283  0.63407348
   0.81101139  0.20070621  0.80424825
   0.60394192  0.35722236  0.51471989
   0.90276301  0.43484892  0.82840560
   0.92920570  0.37713188  0.62103221
   0.69887990  0.39793047  0.69725172
   0.79693337  0.10576954  0.98267629
   0.54796928  0.08070354  0.92382316
   0.57424675  0.55368869  0.07384052
   0.85113320  0.69625419  0.29560770
   0.64254160  0.81132742  0.03926660
   0.85578236  0.95581295  0.35309209
   0.93918539  0.88038819  0.18152484
   0.67209978  0.86859657  0.23537439
   0.78881961  0.58689065  0.47224571
   0.54227651  0.56696608  0.40208769
   0.60175225  0.60383821  0.60607336
   0.86078756  0.69410221  0.78217431
   0.59542180  0.79401157  0.45929098
   0.90899209  0.96356410  0.84008755
   0.91896746  0.87792237  0.65941834
   0.67834713  0.92291360  0.75790296
   0.78224770  0.60387163  0.96272367
   0.53267197  0.67454228  0.89586201
   0.68983009  0.92712062  0.56729221
   0.65337695  0.87421292  0.47062771
   0.90427740  0.20412028  0.13355430
   0.75630861  0.45783760  0.33154201
   0.28347570  0.10774719  0.67860164
   0.29482991  0.68060402  0.73523107
   0.00368552  1.12995449  0.15714053
   0.15336438  1.00513076 -0.02919716
   0.65646411  0.37064094  0.87815793
   0.84476690  0.42057254  0.65157870
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821239    0.034769   -0.028942
    -0.000000    9.989687    0.109521
    -0.000000   -0.000000   13.716774
   Si   O    H 
    32    64    10
Direct configuration=   354
   0.14401655  0.14284217  0.00183376
   0.39750823  0.08243900  0.39304501
   0.14910738  0.40227602  0.13293131
   0.39247072  0.33226464  0.25910887
   0.13240363  0.15882671  0.49837945
   0.39585334  0.11667702  0.88698509
   0.09543435  0.40732600  0.62352361
   0.33566373  0.36718698  0.75744831
   0.13842680  0.65636224  0.01303189
   0.39245404  0.58353312  0.36429769
   0.09658314  0.89462142  0.14589924
   0.35229472  0.83502542  0.25727527
   0.14670149  0.66178313  0.49634635
   0.37794953  0.62723655  0.87229010
   0.06094617  0.91773546  0.61094483
   0.31402914  0.97091577  0.71770792
   0.64335793  0.13627161  1.01283028
   0.88065217  0.11388087  0.37744080
   0.62494661  0.40629234  0.12228657
   0.89445046  0.30199487  0.20599793
   0.63836826  0.19403808  0.52695266
   0.88708335  0.11354393  0.88516927
   0.57939186  0.43509785  0.62262626
   0.76377481  0.35489472  0.80956617
   0.62836005  0.66001328 -0.01046605
   0.89668334  0.58617170  0.37940369
   0.58939446  0.90026095  0.13213757
   0.82670633  0.85108012  0.26339739
   0.62823125  0.63903298  0.49513665
   0.89577716  0.59187552  0.87146983
   0.60211769  0.97323294  0.65016279
   0.84209709  0.86639035  0.76646831
   0.09999585  0.07041561  0.12819671
   0.36422045  0.17990234  0.29974535
   0.11525640  0.29951203  0.04387196
   0.34130146  0.42965067  0.34595590
   0.54957777  0.37183088  0.22598822
   0.31473253  0.36485423  0.15511292
   0.27974716  0.08820473  0.47834831
   0.04681997  0.14255158  0.39551637
   0.05000431  0.06834794  0.57463475
   0.39585779  0.22371680  0.79957075
   0.16291105  0.30667670  0.54055220
   0.38750576  0.47334560  0.83371545
   0.43087481  0.39183405  0.65650625
   0.17723689  0.38366274  0.73124142
   0.30916646  0.16886274 -0.01320451
   0.03306284  0.17370066  0.90803648
   0.14694885  0.55981496  0.10842848
   0.38515950  0.67480650  0.26293691
   0.11449134  0.81280285  0.04396321
   0.39984580  0.92505071  0.35044478
   0.42003914  0.88458874  0.15157238
   0.18489718  0.84260396  0.24023802
   0.29671758  0.66441203  0.44236325
   0.05908497  0.59501929  0.40769175
   0.13782036  0.55254759  0.58833659
   0.30910609  0.71930293  0.79772990
   0.07285313  0.80017346  0.52923193
   0.32992429  0.97152784  0.83180563
   0.44678806  0.90838313  0.65622949
   0.18614191  0.88242849  0.68219747
   0.29054098  0.63924508 -0.02533202
   0.04690015  0.61552855  0.92436426
   0.58617544  0.06140774  0.10717116
   0.82918693  0.20108938  0.28338368
   0.61664287  0.29499702  0.03438389
   0.86256485  0.43957225  0.33595984
   0.04378745  0.36614262  0.22436346
   0.78716051  0.41377428  0.15830797
   0.79406311  0.15407077  0.47879796
   0.54283895  0.11054351  0.44474390
   0.60288084  0.13572945  0.63381382
   0.81035587  0.19867682  0.80496047
   0.60303562  0.36004588  0.51382834
   0.90131297  0.43579825  0.82780490
   0.93093603  0.37843402  0.62173335
   0.69873141  0.39824937  0.69632287
   0.79597332  0.10683542  0.98339430
   0.54771330  0.07915543  0.92297909
   0.57342454  0.55399807  0.07397948
   0.85056202  0.69669986  0.29558517
   0.64310581  0.81377697  0.03943652
   0.85713302  0.95598662  0.35381003
   0.93761538  0.88020500  0.18247636
   0.67290567  0.86708403  0.23448593
   0.78946823  0.58830582  0.47092243
   0.54279932  0.56776962  0.40215259
   0.60298043  0.60451854  0.60741469
   0.86089497  0.69438179  0.78278801
   0.59629263  0.79292331  0.46068137
   0.90939364  0.96185862  0.84030793
   0.91820469  0.87874538  0.65990179
   0.67865838  0.92315531  0.75810274
   0.78322721  0.60395801  0.96291785
   0.53230539  0.67231988  0.89537271
   0.68515635  0.93551026  0.56921104
   0.66034670  0.87163645  0.47357033
   0.90936136  0.19757960  0.13354087
   0.76511677  0.45256099  0.32762511
   0.28416234  0.10747880  0.67754710
   0.29841836  0.67697361  0.73542081
   0.02214154  1.12306878  0.15201972
   0.15289775  1.00886798 -0.02766207
   0.66026131  0.37528379  0.87870534
   0.84903701  0.42394542  0.65558955
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817782    0.034918   -0.028818
    -0.000000    9.986508    0.107241
    -0.000000   -0.000000   13.716563
   Si   O    H 
    32    64    10
Direct configuration=   355
   0.14330283  0.14233828  0.00170038
   0.39726004  0.08097931  0.39389227
   0.14788187  0.40245236  0.13246196
   0.39405208  0.33148585  0.25887368
   0.13121745  0.15667151  0.49831508
   0.39659655  0.11610971  0.88721711
   0.09594710  0.40773119  0.62354832
   0.33359195  0.36522353  0.75683099
   0.13930885  0.65753474  0.01242924
   0.39153218  0.58376824  0.36433020
   0.09633028  0.89432310  0.14628062
   0.35256189  0.83394488  0.25583155
   0.14715600  0.66225740  0.49779506
   0.37906487  0.62693729  0.87236465
   0.06163041  0.91685987  0.61140859
   0.31567970  0.97099967  0.71707511
   0.64333152  0.13570828  1.01303348
   0.88055559  0.11385245  0.37733245
   0.62475895  0.40589369  0.12206713
   0.89381354  0.30134295  0.20616816
   0.63859613  0.19476034  0.52703891
   0.88648824  0.11234992  0.88425691
   0.57813074  0.43458845  0.62191099
   0.76277681  0.35427453  0.80949403
   0.62781029  0.65917256 -0.01080678
   0.89604171  0.58612736  0.37933263
   0.58984633  0.90072626  0.13160439
   0.82549444  0.85197976  0.26317679
   0.62767945  0.63963368  0.49514883
   0.89524196  0.59267396  0.87220674
   0.60282606  0.97242809  0.65052319
   0.84096863  0.86609676  0.76586668
   0.09946891  0.07009781  0.12552476
   0.36520496  0.17961091  0.29979939
   0.11162535  0.29931472  0.04409026
   0.34330441  0.43080269  0.34720207
   0.54931747  0.37116661  0.22503866
   0.31628639  0.36334386  0.15535741
   0.27845759  0.08775038  0.47931712
   0.04645829  0.14122974  0.39532311
   0.04952678  0.06791561  0.57588960
   0.39573417  0.22608725  0.79792328
   0.16293714  0.30763121  0.54105841
   0.38764171  0.47140928  0.83388099
   0.42924443  0.39324014  0.65712907
   0.17876341  0.38356744  0.73047875
   0.30853303  0.17045440 -0.01345377
   0.03244113  0.17471143  0.90608837
   0.14551003  0.55882428  0.10836575
   0.38359184  0.67393948  0.26400481
   0.11529583  0.81243893  0.04319160
   0.39795044  0.92607651  0.35005998
   0.42041009  0.88354439  0.15201252
   0.18394473  0.84343585  0.23997683
   0.29751486  0.66598438  0.44275958
   0.05813572  0.59590504  0.40608992
   0.13927569  0.55240130  0.58927873
   0.31082981  0.71882713  0.79747066
   0.07424709  0.80165855  0.52878199
   0.32915560  0.97312355  0.83266864
   0.44696046  0.90710232  0.65632339
   0.18596890  0.88169421  0.68209934
   0.29136024  0.63998987 -0.02486988
   0.04515072  0.61531508  0.92467291
   0.58541262  0.06003929  0.10683271
   0.82925968  0.20106159  0.28352039
   0.61706643  0.29543681  0.03480748
   0.86428018  0.44059543  0.33566307
   0.04429696  0.36681581  0.22451866
   0.78640061  0.41388143  0.15801277
   0.79500513  0.15288018  0.47897905
   0.54099345  0.11100713  0.44519805
   0.60244894  0.13461666  0.63311240
   0.80916831  0.19741803  0.80424962
   0.60211325  0.36240901  0.51241046
   0.90000146  0.43755232  0.82723741
   0.93208453  0.38009726  0.62269242
   0.69864473  0.39947295  0.69594655
   0.79583575  0.10800116  0.98318271
   0.54753547  0.07752283  0.92224871
   0.57290945  0.55435521  0.07464979
   0.84971463  0.69736379  0.29578930
   0.64379827  0.81565958  0.03933537
   0.85721512  0.95642467  0.35409759
   0.93631338  0.88049891  0.18306750
   0.67340037  0.86627293  0.23351569
   0.78973292  0.59087655  0.46966252
   0.54364004  0.56852807  0.40291489
   0.60413697  0.60513226  0.60880714
   0.86084890  0.69515083  0.78317965
   0.59717284  0.79242039  0.46149028
   0.91063597  0.96069837  0.84081992
   0.91751059  0.88007398  0.66045862
   0.67934120  0.92328175  0.75864026
   0.78494144  0.60419871  0.96234420
   0.53150064  0.67054654  0.89513315
   0.68548002  0.94038194  0.56945499
   0.66458732  0.85897070  0.47356872
   0.91799946  0.19010281  0.12798086
   0.76981304  0.44612504  0.32344724
   0.28273248  0.10219752  0.67622206
   0.30298412  0.67118403  0.73544978
   0.03435334  1.12267316  0.14981345
   0.15110942  1.00569628 -0.02716282
   0.66532228  0.38004952  0.88177410
   0.86065817  0.42580567  0.65730255
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814534    0.035211   -0.028391
    -0.000000    9.983568    0.105036
    -0.000000   -0.000000   13.716448
   Si   O    H 
    32    64    10
Direct configuration=   356
   0.14234194  0.14265756  0.00127578
   0.39666435  0.07939028  0.39421857
   0.14687101  0.40226875  0.13214862
   0.39575387  0.33122183  0.25846126
   0.12980844  0.15464790  0.49855700
   0.39686883  0.11548421  0.88762011
   0.09688953  0.40723567  0.62354610
   0.33235043  0.36416834  0.75639911
   0.14014761  0.65866962  0.01199330
   0.39104234  0.58473625  0.36411973
   0.09604658  0.89414565  0.14652680
   0.35268949  0.83261273  0.25435568
   0.14756740  0.66171374  0.49896151
   0.37982349  0.62621110  0.87298985
   0.06241260  0.91543632  0.61234790
   0.31744782  0.97155237  0.71620540
   0.64292584  0.13463894  1.01329141
   0.88015915  0.11399614  0.37725256
   0.62525283  0.40572608  0.12163905
   0.89343029  0.30052474  0.20594614
   0.63830186  0.19497224  0.52654933
   0.88563260  0.11187243  0.88341289
   0.57733156  0.43413913  0.62123790
   0.76166390  0.35353460  0.80909533
   0.62744638  0.65862576 -0.01048577
   0.89605123  0.58625244  0.37938836
   0.59006992  0.90146365  0.13123947
   0.82539438  0.85276780  0.26247953
   0.62769892  0.64017310  0.49507973
   0.89508700  0.59327323  0.87274138
   0.60318748  0.97161137  0.65141227
   0.83973182  0.86555307  0.76481288
   0.10063255  0.06983910  0.12289107
   0.36666786  0.17897774  0.30036058
   0.10897622  0.29909161  0.04487536
   0.34473718  0.43112004  0.34778771
   0.54988657  0.37098729  0.22432598
   0.31656555  0.36141043  0.15573483
   0.27725673  0.08661262  0.48038657
   0.04535444  0.13994698  0.39535159
   0.04821418  0.06728255  0.57701416
   0.39586537  0.22675745  0.79590940
   0.16258289  0.30829755  0.54101653
   0.38813691  0.46949035  0.83455111
   0.42780601  0.39468185  0.65732841
   0.18015318  0.38337772  0.72906006
   0.30831332  0.17115044 -0.01454388
   0.03186607  0.17561782  0.90444162
   0.14512914  0.55755804  0.10848958
   0.38188338  0.67312074  0.26502385
   0.11595159  0.81214421  0.04219940
   0.39631242  0.92678759  0.34940601
   0.42089194  0.88265796  0.15280688
   0.18297922  0.84434792  0.23962409
   0.29884644  0.66759053  0.44299827
   0.05743386  0.59640989  0.40501953
   0.14032270  0.55311057  0.58949800
   0.31205508  0.71951083  0.79638315
   0.07633343  0.80326994  0.52753994
   0.32857917  0.97601972  0.83334294
   0.44754003  0.90638579  0.65627760
   0.18713661  0.88039126  0.68174909
   0.29285050  0.64098285 -0.02535520
   0.04302251  0.61480796  0.92454943
   0.58526560  0.05840414  0.10679918
   0.82841534  0.20049372  0.28345409
   0.61671761  0.29549628  0.03501584
   0.86723503  0.44007602  0.33576379
   0.04402957  0.36709558  0.22422882
   0.78573165  0.41362734  0.15752737
   0.79595747  0.15255048  0.47875719
   0.53943539  0.11210998  0.44619544
   0.60286616  0.13269264  0.63228888
   0.80756861  0.19612699  0.80258830
   0.60246114  0.36416765  0.51158144
   0.89903800  0.44013702  0.82657694
   0.93343862  0.38163698  0.62344552
   0.69875428  0.40009150  0.69584918
   0.79552783  0.10892184  0.98346717
   0.54702497  0.07593055  0.92138430
   0.57195057  0.55450450  0.07511832
   0.84886065  0.69806377  0.29541422
   0.64416322  0.81708398  0.03877353
   0.85746042  0.95688389  0.35403647
   0.93579503  0.88088095  0.18326435
   0.67341850  0.86507138  0.23250467
   0.79076010  0.59407345  0.46820487
   0.54445729  0.56885360  0.40389169
   0.60542632  0.60513817  0.60946217
   0.86051402  0.69599199  0.78388892
   0.59788707  0.79202474  0.46213149
   0.91222399  0.96036631  0.84204291
   0.91657565  0.88201169  0.66110207
   0.68029034  0.92304685  0.75910252
   0.78573133  0.60517602  0.96190110
   0.53139323  0.66927305  0.89474322
   0.68880472  0.94400458  0.56688631
   0.66675117  0.84658469  0.47428087
   0.92402280  0.18886303  0.12259076
   0.76597040  0.43880363  0.32022175
   0.28264782  0.10263890  0.67543769
   0.30805780  0.66841468  0.73608823
   0.02807986  1.13270709  0.15477373
   0.14750309  0.99698525 -0.02945924
   0.66811202  0.38424294  0.88653410
   0.86758532  0.42903170  0.66095882
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810999    0.035866   -0.028359
    -0.000000    9.980495    0.101746
    -0.000000   -0.000000   13.716317
   Si   O    H 
    32    64    10
Direct configuration=   357
   0.14200114  0.14289249  0.00068172
   0.39588845  0.07777570  0.39434612
   0.14618626  0.40208668  0.13187251
   0.39668154  0.33081049  0.25828343
   0.12910904  0.15342205  0.49856964
   0.39692269  0.11548831  0.88797067
   0.09781419  0.40645328  0.62348126
   0.33158881  0.36275363  0.75610518
   0.14098762  0.65926419  0.01178738
   0.39071340  0.58542141  0.36415519
   0.09574543  0.89453664  0.14585861
   0.35327445  0.83067704  0.25360928
   0.14746921  0.66153906  0.49995224
   0.38028510  0.62536370  0.87382545
   0.06202788  0.91352742  0.61298394
   0.31810606  0.97141051  0.71580542
   0.64211234  0.13404790  1.01289925
   0.87957778  0.11459175  0.37703283
   0.62623770  0.40562641  0.12098602
   0.89381056  0.29953060  0.20564224
   0.63796496  0.19492091  0.52571869
   0.88486254  0.11082786  0.88263351
   0.57635182  0.43421541  0.62097435
   0.76065296  0.35266257  0.80850130
   0.62692857  0.65860203 -0.00976639
   0.89585774  0.58627989  0.37943954
   0.58981482  0.90256815  0.13107999
   0.82544983  0.85370620  0.26194423
   0.62843188  0.64097464  0.49471974
   0.89501032  0.59384571  0.87337442
   0.60314407  0.97017786  0.65202420
   0.83889294  0.86451355  0.76418199
   0.10185882  0.06956425  0.12005164
   0.36845806  0.17890458  0.30112501
   0.10731271  0.29941331  0.04649593
   0.34683708  0.43076157  0.34815818
   0.55116367  0.37137639  0.22347485
   0.31650717  0.35975797  0.15571323
   0.27628719  0.08608591  0.48157120
   0.04375217  0.13939900  0.39536370
   0.04687698  0.06694154  0.57818478
   0.39463874  0.22660045  0.79419847
   0.16249368  0.30804600  0.54107012
   0.38789125  0.46858620  0.83548146
   0.42658061  0.39548915  0.65664011
   0.18111381  0.38334594  0.72777055
   0.30837279  0.17106579 -0.01577746
   0.03121543  0.17583529  0.90264487
   0.14498731  0.55749516  0.10852381
   0.38071421  0.67323558  0.26577839
   0.11619768  0.81302625  0.04168968
   0.39572757  0.92764999  0.34896465
   0.42124021  0.88269758  0.15376210
   0.18258249  0.84583504  0.23941592
   0.30008826  0.66831637  0.44280106
   0.05703136  0.59746017  0.40469178
   0.14179260  0.55456941  0.58998012
   0.31288318  0.72007095  0.79503064
   0.07756526  0.80464405  0.52580017
   0.32790235  0.97929595  0.83492129
   0.44831000  0.90664746  0.65626748
   0.18818054  0.87881014  0.68180452
   0.29479059  0.64190324 -0.02586921
   0.04092384  0.61437778  0.92395838
   0.58604639  0.05695831  0.10712166
   0.82690484  0.19939953  0.28332543
   0.61524425  0.29532750  0.03523188
   0.87033255  0.43974185  0.33573567
   0.04476935  0.36707831  0.22395451
   0.78502359  0.41324481  0.15674978
   0.79585303  0.15221624  0.47846885
   0.53891772  0.11275001  0.44690321
   0.60377573  0.13141369  0.63133014
   0.80575275  0.19515033  0.80073051
   0.60361349  0.36601228  0.51123434
   0.89819282  0.44403549  0.82649203
   0.93513539  0.38251431  0.62409132
   0.69933601  0.40012917  0.69622341
   0.79526571  0.11023734  0.98341800
   0.54670768  0.07484309  0.92010715
   0.57070415  0.55433919  0.07607468
   0.84805711  0.69888468  0.29517425
   0.64400848  0.81757457  0.03818826
   0.85778605  0.95704555  0.35421359
   0.93598599  0.88086668  0.18289393
   0.67356583  0.86393903  0.23108437
   0.79179814  0.59723270  0.46716306
   0.54543632  0.56875825  0.40473782
   0.60681905  0.60496316  0.60959026
   0.86039525  0.69656738  0.78460312
   0.59702463  0.79159845  0.46294201
   0.91382856  0.95980296  0.84275713
   0.91615419  0.88466339  0.66171938
   0.68192953  0.92242609  0.75942625
   0.78548225  0.60650558  0.96163537
   0.53162971  0.66801740  0.89450782
   0.69063066  0.94537798  0.56638792
   0.68448928  0.84850262  0.47500941
   0.92698289  0.19569876  0.12291168
   0.76855213  0.43558904  0.31921193
   0.28530173  0.10918173  0.67702361
   0.31108419  0.66424079  0.73487709
   0.02047245  1.14068678  0.15928297
   0.14559237  0.99399992 -0.02906615
   0.66923863  0.38781437  0.88996759
   0.86924337  0.43434561  0.66530755
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806867    0.036965   -0.028064
    -0.000000    9.977624    0.097770
    -0.000000   -0.000000   13.716076
   Si   O    H 
    32    64    10
Direct configuration=   358
   0.14149769  0.14297454 -0.00051251
   0.39524086  0.07631668  0.39427510
   0.14610434  0.40176182  0.13133135
   0.39713851  0.33061928  0.25815716
   0.12891380  0.15213548  0.49849948
   0.39723562  0.11591050  0.88817774
   0.09847446  0.40590690  0.62392416
   0.33181340  0.36081364  0.75522496
   0.14206199  0.65924211  0.01136944
   0.39057536  0.58590964  0.36452384
   0.09545992  0.89572241  0.14558457
   0.35344059  0.82898228  0.25229451
   0.14732132  0.66108576  0.50111142
   0.38101025  0.62479918  0.87438172
   0.06139111  0.91118590  0.61348426
   0.31847192  0.97138531  0.71563520
   0.64059332  0.13371820  1.01255619
   0.87909218  0.11499412  0.37730672
   0.62770940  0.40565277  0.12010662
   0.89392392  0.29849035  0.20523886
   0.63835073  0.19435509  0.52486713
   0.88470102  0.10946741  0.88175030
   0.57500335  0.43516357  0.62033521
   0.75985250  0.35145037  0.80788817
   0.62678420  0.65897113 -0.00902462
   0.89507341  0.58609506  0.37905318
   0.58953443  0.90332009  0.13110164
   0.82610434  0.85461496  0.26232668
   0.62972193  0.64146537  0.49406618
   0.89489148  0.59443929  0.87395511
   0.60307031  0.96852685  0.65246683
   0.83819298  0.86343249  0.76379334
   0.10237780  0.06882474  0.11762100
   0.37036275  0.17878297  0.30123568
   0.10630830  0.29953903  0.04794796
   0.34932659  0.43062629  0.34913223
   0.55260759  0.37154547  0.22323770
   0.31495026  0.35829715  0.15560111
   0.27623390  0.08581409  0.48256123
   0.04125577  0.13904755  0.39546348
   0.04611924  0.06736073  0.57970722
   0.39369425  0.22566859  0.79293371
   0.16238299  0.30826709  0.54130567
   0.38730210  0.46799808  0.83616928
   0.42448539  0.39570842  0.65592608
   0.18100822  0.38203676  0.72668017
   0.30919134  0.17105023 -0.01753429
   0.03197264  0.17607946  0.90072693
   0.14446050  0.55819931  0.10867429
   0.37956027  0.67231929  0.26634265
   0.11663368  0.81403722  0.04205622
   0.39552403  0.92792482  0.34778773
   0.42169246  0.88328886  0.15461191
   0.18271105  0.84736117  0.23897928
   0.30107573  0.66856630  0.44341255
   0.05636823  0.59856827  0.40416610
   0.14307592  0.55627741  0.59051708
   0.31379918  0.72131974  0.79360762
   0.07924572  0.80610824  0.52459220
   0.32730475  0.98291062  0.83703044
   0.44854972  0.90601367  0.65629881
   0.18935468  0.87764311  0.68214098
   0.29753275  0.64239755 -0.02631046
   0.03904201  0.61395913  0.92373591
   0.58690823  0.05607874  0.10767161
   0.82582288  0.19807248  0.28365135
   0.61403171  0.29407376  0.03569465
   0.87199557  0.43882569  0.33564244
   0.04597101  0.36689420  0.22342389
   0.78424537  0.41238153  0.15578809
   0.79462341  0.15152685  0.47838959
   0.53865571  0.11364926  0.44773997
   0.60404531  0.13159813  0.63078283
   0.80415437  0.19377730  0.79924221
   0.60489203  0.36706484  0.51185992
   0.89681102  0.44731849  0.82591144
   0.93585158  0.38423579  0.62421392
   0.69961131  0.40021647  0.69739998
   0.79537651  0.11025232  0.98314590
   0.54669481  0.07357539  0.91849870
   0.56916502  0.55385149  0.07753113
   0.84750570  0.69985660  0.29471988
   0.64359396  0.81822834  0.03783670
   0.85768939  0.95661657  0.35421646
   0.93690837  0.88101639  0.18203547
   0.67292860  0.86230109  0.22972553
   0.79264763  0.60038150  0.46708276
   0.54639945  0.56929352  0.40555663
   0.60854839  0.60374247  0.60942768
   0.86056615  0.69754953  0.78522368
   0.59654629  0.79241379  0.46332113
   0.91497804  0.95869353  0.84326577
   0.91626851  0.88740327  0.66219976
   0.68320464  0.92225069  0.75917071
   0.78450834  0.60756250  0.96201013
   0.53179443  0.66681682  0.89495736
   0.69166263  0.94489305  0.56664195
   0.68955182  0.84516673  0.47571296
   0.92239869  0.20237191  0.12774432
   0.77419929  0.43386669  0.31732617
   0.28988958  0.11166321  0.67861231
   0.31205672  0.66572025  0.73545126
   0.01938027  1.14000789  0.16202422
   0.14420362  0.99451330 -0.02915110
   0.66854503  0.39150724  0.89176620
   0.87467305  0.43533808  0.66539744
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802751    0.038500   -0.028366
    -0.000000    9.975164    0.093478
    -0.000000   -0.000000   13.716176
   Si   O    H 
    32    64    10
Direct configuration=   359
   0.14055709  0.14344656 -0.00157718
   0.39464282  0.07504537  0.39436948
   0.14674895  0.40144146  0.13109139
   0.39767884  0.33030977  0.25820351
   0.12862809  0.15121709  0.49812200
   0.39764296  0.11670377  0.88806106
   0.09972387  0.40628921  0.62435438
   0.33235768  0.35918091  0.75475595
   0.14314261  0.65884601  0.01099849
   0.39066821  0.58642792  0.36521364
   0.09510278  0.89708365  0.14534002
   0.35351811  0.82845764  0.25132995
   0.14718529  0.66044028  0.50167987
   0.38078744  0.62437779  0.87450060
   0.06096674  0.90960984  0.61365615
   0.31844497  0.97166991  0.71500210
   0.63907870  0.13410898  1.01202155
   0.87894606  0.11536083  0.37801363
   0.62890262  0.40549992  0.11891556
   0.89397303  0.29825079  0.20476594
   0.63906451  0.19372787  0.52347531
   0.88457720  0.10782030  0.88138551
   0.57382965  0.43633919  0.61979501
   0.75914994  0.35045724  0.80731766
   0.62722846  0.65947488 -0.00832524
   0.89442774  0.58625557  0.37856247
   0.58889544  0.90375001  0.13105175
   0.82718478  0.85572793  0.26291284
   0.63133167  0.64177143  0.49333435
   0.89454290  0.59470339  0.87454462
   0.60301673  0.96730905  0.65301458
   0.83782782  0.86165854  0.76370936
   0.10224828  0.06804761  0.11577752
   0.37189710  0.17901899  0.30131748
   0.10516076  0.29977620  0.04945868
   0.35192392  0.42989707  0.35007820
   0.55390809  0.37223395  0.22282648
   0.31243961  0.35754538  0.15550936
   0.27607154  0.08523682  0.48352516
   0.03971539  0.13830354  0.39534345
   0.04583000  0.06738856  0.58079912
   0.39349873  0.22369517  0.79187642
   0.16162468  0.30805006  0.54173090
   0.38594802  0.46830816  0.83680218
   0.42272998  0.39539427  0.65509989
   0.17999721  0.38068639  0.72561991
   0.30980762  0.17142695 -0.01934028
   0.03276547  0.17622855  0.89937333
   0.14427128  0.55908051  0.10890929
   0.37860862  0.67137766  0.26662921
   0.11727904  0.81533166  0.04213352
   0.39563768  0.92819600  0.34643507
   0.42242174  0.88306672  0.15562379
   0.18295341  0.84874117  0.23857706
   0.30135603  0.66844243  0.44398891
   0.05600907  0.60026513  0.40393707
   0.14285361  0.55719107  0.59096596
   0.31483028  0.72245413  0.79289702
   0.08067714  0.80635351  0.52382743
   0.32693738  0.98665136  0.83927040
   0.44777932  0.90560470  0.65578262
   0.19072140  0.87598854  0.68209844
   0.29921002  0.64270715 -0.02609874
   0.03897974  0.61300733  0.92366771
   0.58775391  0.05579247  0.10870880
   0.82499040  0.19743075  0.28360428
   0.61340225  0.29286057  0.03622298
   0.87418370  0.43869403  0.33498884
   0.04770502  0.36641722  0.22321862
   0.78447850  0.41104258  0.15512257
   0.79415281  0.15044303  0.47878404
   0.53825616  0.11387549  0.44816472
   0.60446530  0.13230768  0.63036685
   0.80203481  0.19202397  0.79793829
   0.60582495  0.36787991  0.51326680
   0.89572200  0.44970438  0.82537307
   0.93702242  0.38527258  0.62360330
   0.69948685  0.40047295  0.69929152
   0.79554472  0.11050769  0.98220870
   0.54794097  0.07195797  0.91717237
   0.56785335  0.55427779  0.07894906
   0.84721031  0.70005595  0.29462734
   0.64213244  0.81774227  0.03725104
   0.85775229  0.95619895  0.35408422
   0.93743644  0.88101866  0.18124970
   0.67283883  0.86108434  0.22850377
   0.79356548  0.60279636  0.46647956
   0.54701392  0.57059599  0.40658037
   0.60929496  0.60230560  0.60922256
   0.86131696  0.69916079  0.78607886
   0.59771705  0.79445397  0.46388818
   0.91574853  0.95735974  0.84362974
   0.91590068  0.88986357  0.66285838
   0.68417855  0.92163472  0.75845671
   0.78272316  0.60820570  0.96235861
   0.53332382  0.66590359  0.89540181
   0.69366875  0.94196433  0.56729999
   0.68560348  0.83724483  0.47715744
   0.91592211  0.20384464  0.13147582
   0.78033490  0.43210549  0.31854762
   0.29549829  0.11190456  0.68074356
   0.31641667  0.66632584  0.73519746
   0.02546048  1.13530895  0.15931918
   0.14582286  0.99994466 -0.02980444
   0.67145401  0.39448839  0.89018889
   0.87723653  0.43546930  0.66623174
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798757    0.040384   -0.028549
    -0.000000    9.972769    0.088505
    -0.000000   -0.000000   13.716603
   Si   O    H 
    32    64    10
Direct configuration=   360
   0.14024959  0.14396536 -0.00259192
   0.39416788  0.07441679  0.39462394
   0.14833159  0.40221231  0.13084327
   0.39782381  0.33016335  0.25853711
   0.12791910  0.15030767  0.49788294
   0.39799345  0.11719400  0.88784409
   0.10062661  0.40592329  0.62446151
   0.33328486  0.35819369  0.75405719
   0.14421083  0.65815247  0.01105931
   0.39136898  0.58627466  0.36559883
   0.09361820  0.89832977  0.14490947
   0.35300709  0.82790931  0.25036480
   0.14737040  0.66055585  0.50197817
   0.38068273  0.62397332  0.87456967
   0.06088758  0.90848579  0.61394131
   0.31816514  0.97209204  0.71491737
   0.63674265  0.13428966  1.01131859
   0.87871165  0.11612134  0.37850230
   0.62941045  0.40569981  0.11779783
   0.89483491  0.29792236  0.20453281
   0.63967947  0.19255983  0.52228939
   0.88531696  0.10712380  0.88116360
   0.57320492  0.43808837  0.61925364
   0.75964386  0.34935180  0.80658754
   0.62767033  0.66027891 -0.00728227
   0.89269917  0.58679780  0.37811691
   0.58783567  0.90439309  0.13183363
   0.82842012  0.85566258  0.26341976
   0.63372837  0.64243199  0.49250855
   0.89359512  0.59499054  0.87497554
   0.60306984  0.96619249  0.65347553
   0.83792362  0.85993478  0.76389782
   0.10198414  0.06734780  0.11474701
   0.37380718  0.17920768  0.30138834
   0.10445026  0.29970078  0.05041405
   0.35565431  0.42969077  0.35004604
   0.55393295  0.37299201  0.22215046
   0.31020937  0.35710618  0.15464828
   0.27589441  0.08488606  0.48354209
   0.03721036  0.13762654  0.39539266
   0.04579168  0.06655938  0.58194237
   0.39363448  0.22162197  0.79159979
   0.16123219  0.30754996  0.54154054
   0.38492089  0.46828398  0.83768863
   0.42074544  0.39456987  0.65433703
   0.17909190  0.37916262  0.72487896
   0.31093556  0.17201162 -0.02087922
   0.03390178  0.17621287  0.89905132
   0.14339844  0.56055176  0.10845994
   0.37782602  0.67045292  0.26624173
   0.11787336  0.81555943  0.04209033
   0.39627071  0.92878158  0.34491772
   0.42363245  0.88180461  0.15650462
   0.18344308  0.85008823  0.23751786
   0.30112177  0.66820115  0.44498724
   0.05656317  0.60187627  0.40334053
   0.14224024  0.55833655  0.59171772
   0.31555794  0.72334071  0.79225523
   0.08156281  0.80625903  0.52300291
   0.32672319  0.99028037  0.84077578
   0.44744825  0.90593428  0.65467536
   0.19243850  0.87431614  0.68210711
   0.30046782  0.64313151 -0.02575914
   0.03901370  0.61259478  0.92367534
   0.58864636  0.05636124  0.10950837
   0.82434529  0.19736215  0.28390389
   0.61316190  0.29119833  0.03614072
   0.87632817  0.43794852  0.33386128
   0.04884314  0.36592108  0.22277653
   0.78552004  0.40941778  0.15436792
   0.79430240  0.14965120  0.47904539
   0.53680945  0.11449942  0.44849519
   0.60473699  0.13279014  0.62955804
   0.80059692  0.18993578  0.79703037
   0.60697982  0.36730213  0.51486489
   0.89479368  0.45157167  0.82469763
   0.93768348  0.38690286  0.62324937
   0.69911922  0.40068284  0.70166468
   0.79609009  0.11057806  0.98091449
   0.55012711  0.07071364  0.91613318
   0.56716882  0.55439837  0.07972924
   0.84739781  0.70005229  0.29531138
   0.64076080  0.81733650  0.03649686
   0.85778255  0.95636400  0.35432474
   0.93827095  0.88036887  0.18017361
   0.67211838  0.85982411  0.22687189
   0.79365993  0.60533651  0.46635307
   0.54666634  0.57237277  0.40712922
   0.60966049  0.60077105  0.60960633
   0.86146894  0.70090580  0.78673750
   0.59929550  0.79653680  0.46447262
   0.91645112  0.95578521  0.84382320
   0.91533943  0.89185477  0.66320309
   0.68407646  0.92110996  0.75735338
   0.78083683  0.60901606  0.96244892
   0.53528438  0.66540059  0.89569881
   0.69369665  0.93761513  0.56836746
   0.68484165  0.83046154  0.47865959
   0.91412208  0.19888024  0.12991111
   0.77744668  0.42952227  0.32055827
   0.29655093  0.11030740  0.68046338
   0.31844413  0.66550682  0.73414648
   0.03650553  1.12546695  0.15393117
   0.14610778  1.00576174 -0.02928601
   0.67422222  0.39530964  0.88814308
   0.88006331  0.43645174  0.66522007
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794473    0.042210   -0.028755
    -0.000000    9.970325    0.083865
    -0.000000   -0.000000   13.717125
   Si   O    H 
    32    64    10
Direct configuration=   361
   0.14016647  0.14418414 -0.00383487
   0.39401647  0.07370223  0.39464723
   0.14968872  0.40300683  0.13060174
   0.39840071  0.33016558  0.25890165
   0.12747847  0.14942472  0.49770772
   0.39853929  0.11833884  0.88739657
   0.10102753  0.40585291  0.62517528
   0.33426642  0.35789105  0.75378829
   0.14520818  0.65797396  0.01095400
   0.39241069  0.58634251  0.36596313
   0.09219672  0.89889768  0.14457355
   0.35207001  0.82801468  0.24986962
   0.14744382  0.66064508  0.50161794
   0.38086899  0.62393298  0.87469524
   0.06125881  0.90756731  0.61395907
   0.31732350  0.97306614  0.71522329
   0.63444364  0.13479972  1.01106028
   0.87819149  0.11689172  0.37938495
   0.62977158  0.40585315  0.11668981
   0.89532722  0.29776774  0.20412819
   0.64004433  0.19144507  0.52095406
   0.88576498  0.10638007  0.88037960
   0.57313055  0.43973828  0.61848024
   0.76065880  0.34795050  0.80570444
   0.62809098  0.66089700 -0.00624928
   0.89114016  0.58747770  0.37794092
   0.58681247  0.90389635  0.13241554
   0.82962254  0.85539014  0.26427735
   0.63633329  0.64320017  0.49147759
   0.89278204  0.59539202  0.87526384
   0.60342338  0.96540741  0.65417596
   0.83867217  0.85835008  0.76444047
   0.10167028  0.06629395  0.11407668
   0.37556918  0.17984155  0.30118991
   0.10336951  0.29906098  0.05058655
   0.35910636  0.42951434  0.34986814
   0.55452483  0.37330927  0.22126555
   0.30825703  0.35741301  0.15357313
   0.27633438  0.08419821  0.48271847
   0.03529978  0.13689130  0.39580114
   0.04578842  0.06661134  0.58306301
   0.39412175  0.21973365  0.79135134
   0.16111879  0.30599469  0.54052110
   0.38233222  0.46836572  0.83842457
   0.41881883  0.39385496  0.65390057
   0.17732236  0.37757303  0.72469417
   0.31259509  0.17259453 -0.02203252
   0.03560110  0.17626135  0.89869923
   0.14276958  0.56141508  0.10737057
   0.37800248  0.66938117  0.26611725
   0.11767482  0.81541062  0.04249944
   0.39717516  0.92886621  0.34330307
   0.42587140  0.88040284  0.15673185
   0.18457184  0.85056469  0.23642263
   0.29978954  0.66808760  0.44620396
   0.05693313  0.60348902  0.40283247
   0.14195349  0.55893238  0.59240307
   0.31685010  0.72297554  0.79134114
   0.08322740  0.80652495  0.52232464
   0.32665162  0.99304294  0.84194139
   0.44643228  0.90619048  0.65341673
   0.19346982  0.87340825  0.68178431
   0.30093420  0.64344878 -0.02526802
   0.03946588  0.61260444  0.92393216
   0.58982261  0.05703487  0.11067896
   0.82344238  0.19788496  0.28430898
   0.61261063  0.28956152  0.03620122
   0.87780139  0.43743911  0.33334521
   0.04937367  0.36489799  0.22187412
   0.78688415  0.40768234  0.15331691
   0.79393596  0.14930799  0.47904043
   0.53574038  0.11525324  0.44877169
   0.60470383  0.13250930  0.62944557
   0.79955129  0.18768149  0.79661346
   0.60758972  0.36654855  0.51627635
   0.89382998  0.45375723  0.82400683
   0.93782842  0.38773384  0.62295226
   0.69726068  0.40095937  0.70356834
   0.79630518  0.11124376  0.98018578
   0.55188242  0.07023543  0.91465398
   0.56660359  0.55401084  0.08047611
   0.84736663  0.70068879  0.29543720
   0.63931022  0.81712663  0.03550264
   0.85749583  0.95680441  0.35531522
   0.93848335  0.88094896  0.17956620
   0.67142652  0.85899907  0.22515381
   0.79368516  0.60822279  0.46694720
   0.54618814  0.57390515  0.40813066
   0.60982841  0.59842594  0.60936055
   0.86203785  0.70284029  0.78791046
   0.59998002  0.79847341  0.46464363
   0.91673953  0.95422833  0.84442127
   0.91416544  0.89407057  0.66287519
   0.68258747  0.92083617  0.75652661
   0.77933496  0.61079753  0.96238055
   0.53714543  0.66523985  0.89606390
   0.69312806  0.93187182  0.57080165
   0.69764287  0.83515232  0.48256367
   0.91425147  0.18939457  0.12681461
   0.77224099  0.42825701  0.32445106
   0.29639187  0.10360680  0.67839358
   0.31914502  0.66581682  0.73537051
   0.04396783  1.11766124  0.15180852
   0.14878574  1.00456631 -0.03059945
   0.67602263  0.39298172  0.88536490
   0.87793989  0.43997283  0.66585194
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790288    0.044297   -0.029400
    -0.000000    9.967655    0.078917
    -0.000000   -0.000000   13.717278
   Si   O    H 
    32    64    10
Direct configuration=   362
   0.14037107  0.14472207 -0.00496612
   0.39353487  0.07274824  0.39487600
   0.15150606  0.40383081  0.13079296
   0.39853577  0.33037224  0.25926551
   0.12704587  0.14880739  0.49739240
   0.40016334  0.11924942  0.88658670
   0.10148408  0.40649589  0.62514823
   0.33531202  0.35792635  0.75362394
   0.14665057  0.65755515  0.01061715
   0.39374797  0.58575977  0.36631601
   0.09067001  0.89886608  0.14410890
   0.35076540  0.82829954  0.24940939
   0.14786932  0.66091085  0.50056688
   0.38020376  0.62367604  0.87428158
   0.06126735  0.90614591  0.61363414
   0.31663093  0.97372198  0.71590814
   0.63246420  0.13511594  1.01097508
   0.87699102  0.11793339  0.38046920
   0.63004596  0.40648919  0.11579810
   0.89606039  0.29729262  0.20338602
   0.64043025  0.19105392  0.51983094
   0.88642689  0.10614616  0.87968488
   0.57364081  0.44189995  0.61815085
   0.76232025  0.34699403  0.80493998
   0.62784520  0.66124670 -0.00529419
   0.89057969  0.58818951  0.37729833
   0.58525711  0.90283736  0.13267841
   0.83098998  0.85524791  0.26498841
   0.63823455  0.64434918  0.49025366
   0.89188152  0.59554671  0.87563908
   0.60381291  0.96474905  0.65406446
   0.84010748  0.85719120  0.76466553
   0.10277045  0.06406679  0.11322135
   0.37711495  0.18028946  0.30150642
   0.10231899  0.29789544  0.05000598
   0.36249665  0.42890757  0.34906365
   0.55433608  0.37336759  0.22026606
   0.30623081  0.35747760  0.15351796
   0.27637029  0.08344091  0.48207791
   0.03424153  0.13646544  0.39604805
   0.04574634  0.06720975  0.58408562
   0.39466292  0.21815795  0.79096588
   0.16125431  0.30501157  0.53949896
   0.37975419  0.46859455  0.83902703
   0.41699039  0.39445520  0.65317750
   0.17550519  0.37647022  0.72470054
   0.31400890  0.17249462 -0.02279449
   0.03715569  0.17673485  0.89812004
   0.14159557  0.56239585  0.10702265
   0.37730392  0.66845916  0.26564931
   0.11840305  0.81498442  0.04266708
   0.39744422  0.92893095  0.34186334
   0.42710198  0.87863094  0.15642584
   0.18539142  0.85158342  0.23537679
   0.29808265  0.66787139  0.44794864
   0.05755640  0.60514646  0.40277494
   0.14123809  0.55935619  0.59326104
   0.31754160  0.72303622  0.79014408
   0.08486615  0.80669337  0.52229991
   0.32633154  0.99410502  0.84301911
   0.44565972  0.90714945  0.65235993
   0.19423758  0.87256529  0.68119975
   0.30144879  0.64377863 -0.02467624
   0.04033879  0.61247026  0.92455953
   0.59180852  0.05773757  0.11136920
   0.82270681  0.19867151  0.28432462
   0.61142062  0.28806819  0.03601194
   0.87859820  0.43735813  0.33275454
   0.05006731  0.36556155  0.22166643
   0.78841635  0.40591797  0.15279028
   0.79322822  0.14886688  0.47905200
   0.53539008  0.11650808  0.44839272
   0.60389195  0.13194257  0.62978359
   0.79958043  0.18587347  0.79657775
   0.60884547  0.36530961  0.51759850
   0.89268127  0.45480788  0.82326599
   0.93812089  0.38906321  0.62278065
   0.69448115  0.40129054  0.70543977
   0.79728236  0.11219583  0.97994749
   0.55380681  0.06972120  0.91317592
   0.56646973  0.55425758  0.08100176
   0.84772767  0.70061258  0.29581529
   0.63741388  0.81706801  0.03489788
   0.85720862  0.95729289  0.35575891
   0.93831949  0.88201335  0.17895979
   0.67034295  0.85854431  0.22365874
   0.79332071  0.61157793  0.46755259
   0.54540212  0.57583089  0.40890354
   0.60992035  0.59655228  0.60933370
   0.86207727  0.70428798  0.78881446
   0.60092926  0.80115690  0.46479580
   0.91628239  0.95226720  0.84499034
   0.91189227  0.89544912  0.66267860
   0.68193800  0.92047045  0.75558311
   0.77826977  0.61363777  0.96294229
   0.53884606  0.66465636  0.89639707
   0.68839860  0.92528841  0.57238970
   0.70344382  0.83770511  0.48503663
   0.91973863  0.18171551  0.12792465
   0.77605934  0.43125269  0.32806940
   0.29423338  0.09905134  0.67477868
   0.31981946  0.66286917  0.73273495
   0.03218908  1.12289843  0.15848509
   0.15183534  0.99664682 -0.03205364
   0.67542886  0.39118970  0.88385045
   0.87545307  0.44102904  0.66385335
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.786235    0.046177   -0.030088
    -0.000000    9.964639    0.074454
    -0.000000   -0.000000   13.717522
   Si   O    H 
    32    64    10
Direct configuration=   363
   0.14070010  0.14510002 -0.00617485
   0.39297222  0.07213355  0.39516359
   0.15272274  0.40457420  0.13053843
   0.39854114  0.33036149  0.25924798
   0.12675690  0.14896969  0.49682568
   0.40197781  0.12013576  0.88578033
   0.10211609  0.40734358  0.62505806
   0.33658583  0.35896126  0.75413285
   0.14840044  0.65703879  0.01042279
   0.39534335  0.58517109  0.36668763
   0.08945644  0.89882525  0.14349898
   0.34920352  0.82888136  0.24966798
   0.14801462  0.66148813  0.49938644
   0.37981682  0.62334092  0.87371355
   0.06227004  0.90512638  0.61302047
   0.31638172  0.97432741  0.71666577
   0.63111180  0.13538694  1.01048917
   0.87580233  0.11847695  0.38192324
   0.63017057  0.40743268  0.11538080
   0.89641187  0.29605250  0.20254264
   0.64012328  0.19048618  0.51904908
   0.88729470  0.10570180  0.87948041
   0.57438667  0.44426126  0.61847573
   0.76350540  0.34589067  0.80417543
   0.62724141  0.66202802 -0.00427435
   0.89049387  0.58977532  0.37657449
   0.58355940  0.90118883  0.13272985
   0.83175766  0.85514364  0.26574746
   0.63986867  0.64556492  0.48908153
   0.89103455  0.59656781  0.87632083
   0.60382181  0.96420967  0.65376388
   0.84069163  0.85600884  0.76431538
   0.10352709  0.06114995  0.11259939
   0.37818969  0.18095857  0.30210238
   0.10101802  0.29651522  0.04926086
   0.36647961  0.42878466  0.34790508
   0.55453924  0.37287288  0.21972506
   0.30550438  0.35747460  0.15451729
   0.27608323  0.08320620  0.48102421
   0.03390292  0.13647018  0.39621761
   0.04652005  0.06814928  0.58520511
   0.39533020  0.21660939  0.79117571
   0.16200522  0.30384267  0.53881831
   0.37727393  0.46892976  0.83969972
   0.41603887  0.39595897  0.65206766
   0.17356402  0.37504060  0.72533321
   0.31434613  0.17230966 -0.02285697
   0.03836150  0.17704163  0.89793496
   0.13987390  0.56356665  0.10690972
   0.37626033  0.66784539  0.26531722
   0.11921925  0.81438928  0.04314355
   0.39816092  0.92898905  0.34072326
   0.42736426  0.87654810  0.15590783
   0.18623577  0.85285786  0.23420087
   0.29568352  0.66822005  0.44953164
   0.05818220  0.60755658  0.40250503
   0.14130229  0.56002163  0.59415261
   0.31857704  0.72299065  0.78938872
   0.08662688  0.80750196  0.52272123
   0.32626443  0.99435214  0.84305958
   0.44489205  0.90842817  0.65127443
   0.19452554  0.87113334  0.68050615
   0.30165528  0.64380320 -0.02444772
   0.04106813  0.61214711  0.92520978
   0.59309927  0.05880363  0.11190890
   0.82230799  0.19915992  0.28415990
   0.61064230  0.28691686  0.03558030
   0.87891729  0.43699550  0.33168485
   0.05085537  0.36659127  0.22154749
   0.78903632  0.40487126  0.15266170
   0.79153102  0.14912785  0.47945755
   0.53528174  0.11757986  0.44801605
   0.60378210  0.13175366  0.63020219
   0.80030742  0.18393443  0.79717290
   0.61066658  0.36293754  0.51931714
   0.89121103  0.45450505  0.82272719
   0.93893035  0.39033118  0.62305034
   0.69121253  0.40164371  0.70607480
   0.79846561  0.11343773  0.98050540
   0.55526883  0.07014479  0.91298483
   0.56601146  0.55436699  0.08130199
   0.84785540  0.70031983  0.29643946
   0.63563746  0.81765708  0.03441353
   0.85706335  0.95829824  0.35659427
   0.93768820  0.88328885  0.17825400
   0.66894281  0.85838518  0.22271507
   0.79362942  0.61485816  0.46817012
   0.54488289  0.57745512  0.40976468
   0.61071382  0.59579228  0.60843497
   0.86250953  0.70576901  0.78923666
   0.60215585  0.80436277  0.46581442
   0.91567540  0.95079958  0.84580957
   0.90988182  0.89660399  0.66262196
   0.68099232  0.91956032  0.75460568
   0.77724799  0.61604516  0.96275210
   0.54020892  0.66342362  0.89620520
   0.69130419  0.92419493  0.57312055
   0.69237117  0.83919045  0.48333868
   0.92787239  0.18038295  0.13317038
   0.78387669  0.43153165  0.33261647
   0.28885429  0.09985174  0.67108499
   0.31949773  0.66183672  0.73111183
   0.02130942  1.12530818  0.16041942
   0.15474124  0.99052649 -0.03386963
   0.67482947  0.38656225  0.88281330
   0.87233006  0.44380525  0.66142204
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.782454    0.048335   -0.031122
    -0.000000    9.961733    0.069980
    -0.000000   -0.000000   13.717842
   Si   O    H 
    32    64    10
Direct configuration=   364
   0.14140345  0.14515664 -0.00721203
   0.39286062  0.07204951  0.39571426
   0.15361582  0.40554681  0.13019768
   0.39776494  0.33022876  0.25908993
   0.12638811  0.14981842  0.49670623
   0.40424177  0.12134101  0.88478303
   0.10234025  0.40785815  0.62444126
   0.33761881  0.36013485  0.75464300
   0.14990978  0.65665577  0.01019927
   0.39688769  0.58514709  0.36736563
   0.08858355  0.89860634  0.14305979
   0.34772083  0.82935326  0.25016573
   0.14854636  0.66235064  0.49802457
   0.37961957  0.62309083  0.87347837
   0.06360327  0.90494558  0.61265243
   0.31626164  0.97559552  0.71744536
   0.63103345  0.13546521  1.01012488
   0.87436418  0.11876953  0.38305990
   0.63035756  0.40867346  0.11541873
   0.89712093  0.29462002  0.20172365
   0.64004996  0.19022975  0.51844382
   0.88778485  0.10538348  0.87928655
   0.57457421  0.44573437  0.61887000
   0.76417304  0.34446096  0.80345969
   0.62678627  0.66313406 -0.00341600
   0.89071238  0.59095790  0.37597467
   0.58220264  0.90004902  0.13260533
   0.83136823  0.85546122  0.26650780
   0.64165996  0.64647942  0.48849821
   0.88960957  0.59718276  0.87677110
   0.60362682  0.96395207  0.65366479
   0.84131983  0.85535850  0.76356142
   0.10338657  0.05892529  0.11297882
   0.37929661  0.18210799  0.30281113
   0.10031541  0.29581289  0.04807953
   0.36934329  0.42862373  0.34750745
   0.55420042  0.37224741  0.21934539
   0.30592069  0.35771651  0.15598713
   0.27626787  0.08251078  0.48011463
   0.03388976  0.13600320  0.39607245
   0.04666808  0.06861390  0.58597014
   0.39598105  0.21551517  0.79149491
   0.16216061  0.30228908  0.53826042
   0.37531374  0.46864770  0.84081809
   0.41509249  0.39701513  0.65123085
   0.17257478  0.37294018  0.72571231
   0.31428611  0.17247887 -0.02253616
   0.03951794  0.17691890  0.89741491
   0.13787459  0.56386027  0.10691974
   0.37599978  0.66704638  0.26501882
   0.11982755  0.81382450  0.04358522
   0.39841174  0.92833253  0.33991554
   0.42734597  0.87462825  0.15556667
   0.18680208  0.85372000  0.23262710
   0.29401065  0.66816997  0.45033320
   0.05811541  0.60957352  0.40298726
   0.14076576  0.56129353  0.59504229
   0.31949429  0.72273790  0.78836620
   0.08757008  0.80831400  0.52283034
   0.32502627  0.99340495  0.84181924
   0.44359379  0.91033916  0.65017974
   0.19394149  0.86931801  0.67945204
   0.30190632  0.64386730 -0.02407325
   0.04241350  0.61187508  0.92594261
   0.59391844  0.06060454  0.11232815
   0.82201442  0.19977781  0.28469328
   0.60990887  0.28717632  0.03494204
   0.88001772  0.43644080  0.33116008
   0.05122896  0.36753727  0.22174829
   0.78950146  0.40248938  0.15222004
   0.78951413  0.14997663  0.48040108
   0.53485877  0.11740026  0.44735366
   0.60407062  0.13103676  0.63009127
   0.80107562  0.18240180  0.79774609
   0.61101957  0.36027048  0.52038734
   0.88903924  0.45401905  0.82213412
   0.93918901  0.39117292  0.62401343
   0.68926185  0.40169547  0.70650054
   0.79970225  0.11487276  0.98124700
   0.55663818  0.07106258  0.91280479
   0.56604331  0.55433811  0.08063111
   0.84811684  0.70008924  0.29666530
   0.63346333  0.81752154  0.03441600
   0.85725761  0.95863130  0.35744547
   0.93704439  0.88456944  0.17759037
   0.66844389  0.85879703  0.22237969
   0.79397706  0.61692517  0.46914986
   0.54506245  0.57810358  0.41044614
   0.61109079  0.59639242  0.60696228
   0.86413599  0.70743206  0.78945467
   0.60261553  0.80760604  0.46675008
   0.91494657  0.94926589  0.84605724
   0.90887514  0.89797305  0.66191335
   0.68000710  0.91857532  0.75406277
   0.77655144  0.61753004  0.96294331
   0.54082149  0.66192526  0.89615181
   0.69624153  0.92413590  0.57474257
   0.68653962  0.84485447  0.48044565
   0.93117474  0.18344508  0.13994106
   0.78047416  0.43306669  0.33772223
   0.28545675  0.10021714  0.66772804
   0.32028897  0.66384152  0.73090345
   0.01633920  1.12494848  0.16004106
   0.15795520  0.99227929 -0.03314126
   0.67381838  0.38200014  0.88346613
   0.87177070  0.44388629  0.65956349
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.778586    0.051292   -0.031959
    -0.000000    9.958667    0.065787
    -0.000000   -0.000000   13.718199
   Si   O    H 
    32    64    10
Direct configuration=   365
   0.14231096  0.14539117 -0.00792306
   0.39269009  0.07194358  0.39590832
   0.15399171  0.40603616  0.12960799
   0.39685599  0.32959328  0.25840269
   0.12548399  0.15092105  0.49653793
   0.40621227  0.12238374  0.88399313
   0.10254586  0.40877872  0.62344333
   0.33853670  0.36137907  0.75566467
   0.15190607  0.65598913  0.00965365
   0.39824391  0.58507118  0.36807611
   0.08775288  0.89830086  0.14235942
   0.34579356  0.82959155  0.25109205
   0.14906045  0.66262327  0.49643957
   0.37998839  0.62362754  0.87303121
   0.06435011  0.90479606  0.61206864
   0.31551601  0.97721434  0.71820636
   0.63124021  0.13546637  1.00996476
   0.87297598  0.11892865  0.38389917
   0.63005885  0.41029453  0.11533958
   0.89740214  0.29379504  0.20147058
   0.63988462  0.19006411  0.51813340
   0.88905338  0.10462973  0.87938618
   0.57419497  0.44658644  0.61940444
   0.76509000  0.34349412  0.80318353
   0.62595345  0.66342843 -0.00287884
   0.89148931  0.59163324  0.37562642
   0.58109156  0.89890061  0.13251384
   0.83065234  0.85622268  0.26735854
   0.64263486  0.64756302  0.48818033
   0.88838661  0.59719596  0.87742518
   0.60335083  0.96385141  0.65327194
   0.84104220  0.85576518  0.76261203
   0.10313504  0.05771847  0.11292682
   0.38013839  0.18306229  0.30363537
   0.09963621  0.29607982  0.04687330
   0.37146691  0.42841888  0.34767607
   0.55420545  0.37084260  0.21905542
   0.30669397  0.35834388  0.15740719
   0.27641037  0.08182101  0.47842244
   0.03517023  0.13617866  0.39562778
   0.04661158  0.06880909  0.58637009
   0.39687859  0.21522013  0.79047648
   0.16263851  0.30077006  0.53763738
   0.37349770  0.46791671  0.84159658
   0.41480449  0.39853948  0.65098043
   0.17243309  0.37106085  0.72699919
   0.31491658  0.17356734 -0.02147860
   0.04098623  0.17662501  0.89672502
   0.13546190  0.56404020  0.10712769
   0.37640911  0.66707454  0.26495116
   0.12052010  0.81268671  0.04377879
   0.39859857  0.92799265  0.33979804
   0.42668686  0.87203187  0.15531671
   0.18649564  0.85429163  0.23079483
   0.29323435  0.66814215  0.45097541
   0.05772429  0.61135496  0.40341022
   0.14031033  0.56346528  0.59607750
   0.31969902  0.72203826  0.78705789
   0.08767828  0.80834185  0.52299403
   0.32399758  0.99210669  0.83982207
   0.44250279  0.91149827  0.64954450
   0.19380339  0.86811305  0.67846157
   0.30213550  0.64399058 -0.02430096
   0.04401278  0.61167660  0.92656199
   0.59462426  0.06277053  0.11228526
   0.82162726  0.20060788  0.28549452
   0.60865446  0.28834155  0.03424391
   0.88025784  0.43639587  0.33062586
   0.05139455  0.36731891  0.22184381
   0.78979612  0.40077555  0.15163909
   0.78785709  0.15026155  0.48172745
   0.53387431  0.11789949  0.44639017
   0.60463462  0.12926218  0.63008268
   0.80205134  0.18220228  0.79765006
   0.61162957  0.35712491  0.52161135
   0.88746054  0.45413212  0.82123399
   0.93906442  0.39200813  0.62525033
   0.68714349  0.40188929  0.70655043
   0.80075697  0.11615484  0.98224189
   0.55658429  0.07206095  0.91303897
   0.56700714  0.55365147  0.07970897
   0.84883693  0.70029534  0.29704569
   0.63122085  0.81689874  0.03469652
   0.85776232  0.95827108  0.35777690
   0.93631969  0.88510370  0.17749357
   0.66910838  0.85988668  0.22239089
   0.79534751  0.61892662  0.46995907
   0.54549093  0.57850324  0.41106171
   0.61101316  0.59747476  0.60484701
   0.86614738  0.70819196  0.78966854
   0.60252869  0.81084994  0.46734463
   0.91385285  0.94872688  0.84637705
   0.90866734  0.89895368  0.66097913
   0.67974579  0.91725881  0.75430538
   0.77560445  0.61846904  0.96266333
   0.54082693  0.66059945  0.89634363
   0.70070576  0.92887823  0.57838451
   0.69488920  0.86091356  0.47972287
   0.93097609  0.18199894  0.14243066
   0.77792734  0.43232534  0.34495178
   0.28168071  0.10412627  0.66749884
   0.32284292  0.66547242  0.72970240
   0.02080819  1.12185974  0.15774603
   0.15843021  1.00020091 -0.03344798
   0.67189168  0.37769365  0.88806579
   0.86954848  0.44448434  0.65529321
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774821    0.054510   -0.032235
    -0.000000    9.955361    0.061814
    -0.000000   -0.000000   13.718820
   Si   O    H 
    32    64    10
Direct configuration=   366
   0.14369205  0.14562241 -0.00867977
   0.39228736  0.07184580  0.39587796
   0.15425591  0.40590882  0.12912510
   0.39661119  0.32909376  0.25781777
   0.12458063  0.15163204  0.49682354
   0.40845662  0.12333610  0.88306112
   0.10240699  0.40945957  0.62244425
   0.34014129  0.36334412  0.75630792
   0.15283217  0.65586267  0.00930176
   0.39867785  0.58512628  0.36848542
   0.08740129  0.89746630  0.14131418
   0.34375841  0.82951182  0.25190046
   0.14907899  0.66299555  0.49467783
   0.38079801  0.62436105  0.87331951
   0.06531243  0.90446156  0.61170009
   0.31429925  0.97820424  0.71881632
   0.63232492  0.13535304  1.00994169
   0.87143398  0.11890697  0.38438639
   0.62937877  0.41132101  0.11563919
   0.89801390  0.29367002  0.20144249
   0.63948990  0.18960742  0.51799012
   0.89024130  0.10419306  0.87987428
   0.57352203  0.44648644  0.61997546
   0.76592317  0.34195645  0.80295965
   0.62493707  0.66334373 -0.00255100
   0.89254475  0.59202021  0.37495130
   0.57990371  0.89792940  0.13183380
   0.82942926  0.85717818  0.26795877
   0.64345107  0.64942171  0.48837549
   0.88769363  0.59711814  0.87828556
   0.60350450  0.96390904  0.65291297
   0.84064896  0.85672049  0.76189465
   0.10265812  0.05782776  0.11328256
   0.38175595  0.18407176  0.30480375
   0.09977155  0.29632958  0.04657194
   0.37312220  0.42833554  0.34789998
   0.55436525  0.36963142  0.21849615
   0.30795305  0.35870410  0.15957524
   0.27649869  0.08182602  0.47705880
   0.03643416  0.13644667  0.39516317
   0.04646373  0.06996537  0.58616357
   0.39797395  0.21605723  0.78897460
   0.16193987  0.29856182  0.53696029
   0.37154069  0.46714649  0.84275769
   0.41497761  0.40059794  0.65079778
   0.17268054  0.36904125  0.72834693
   0.31642976  0.17430041 -0.02061477
   0.04189338  0.17559088  0.89540041
   0.13418720  0.56452352  0.10753654
   0.37748640  0.66693598  0.26501997
   0.12113400  0.81182808  0.04388722
   0.39923339  0.92747210  0.33979951
   0.42577734  0.87056533  0.15506893
   0.18587097  0.85568911  0.22934580
   0.29404230  0.66812601  0.45133114
   0.05689407  0.61306976  0.40359287
   0.13931435  0.56477803  0.59686154
   0.32037284  0.72108900  0.78604279
   0.08759742  0.80817922  0.52270604
   0.32311168  0.99120144  0.83865271
   0.44188228  0.91333992  0.64905146
   0.19449932  0.86738099  0.67801600
   0.30356184  0.64410592 -0.02426794
   0.04495700  0.61197894  0.92751637
   0.59535546  0.06422784  0.11238985
   0.82092672  0.20119923  0.28623846
   0.60687460  0.29017538  0.03323256
   0.88038720  0.43685405  0.33111669
   0.05122851  0.36647955  0.22177676
   0.79056240  0.39889495  0.14994493
   0.78665768  0.15096862  0.48317408
   0.53361428  0.11806538  0.44593085
   0.60578996  0.12723391  0.62977212
   0.80273937  0.18256918  0.79749940
   0.61283658  0.35433382  0.52340484
   0.88670829  0.45365758  0.81987010
   0.93853052  0.39251285  0.62618060
   0.68528985  0.40259773  0.70627998
   0.80136940  0.11665440  0.98364877
   0.55712691  0.07248847  0.91344128
   0.56886022  0.55368869  0.07882470
   0.84891833  0.70014101  0.29704336
   0.62914779  0.81686942  0.03483504
   0.85767911  0.95757478  0.35778185
   0.93519914  0.88626544  0.17749884
   0.67015915  0.85999638  0.22288455
   0.79728250  0.62002716  0.47067585
   0.54588344  0.57896604  0.41159923
   0.61155479  0.59928339  0.60230362
   0.86806451  0.70811686  0.78973029
   0.60295369  0.81407491  0.46799263
   0.91252135  0.94913169  0.84670617
   0.90905904  0.89996659  0.65979939
   0.67869492  0.91645463  0.75519412
   0.77530600  0.61991330  0.96227292
   0.54052246  0.65862818  0.89667056
   0.70383453  0.93221936  0.58163245
   0.69424682  0.87183088  0.47709376
   0.93286087  0.17551035  0.14328300
   0.77957780  0.42726564  0.34762171
   0.27564303  0.10595095  0.66927685
   0.32178043  0.67167854  0.72746279
   0.03252649  1.11639383  0.15072913
   0.15929672  1.00963259 -0.03307668
   0.67019752  0.37253369  0.88868952
   0.86534310  0.44883186  0.65262069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.771132    0.057658   -0.032488
    -0.000000    9.951993    0.057739
    -0.000000   -0.000000   13.719391
   Si   O    H 
    32    64    10
Direct configuration=   367
   0.14504210  0.14592692 -0.00914632
   0.39231896  0.07142327  0.39544378
   0.15390312  0.40529578  0.12849559
   0.39662160  0.32913570  0.25737114
   0.12346877  0.15181890  0.49694246
   0.40940914  0.12393959  0.88272175
   0.10291566  0.41003224  0.62137488
   0.34183469  0.36529763  0.75660396
   0.15284115  0.65599714  0.00880054
   0.39855260  0.58505463  0.36867397
   0.08717857  0.89587473  0.14002798
   0.34200774  0.82958350  0.25291070
   0.14920907  0.66338767  0.49328155
   0.38175199  0.62464581  0.87340325
   0.06620358  0.90513972  0.61131615
   0.31329671  0.97916692  0.71874382
   0.63302426  0.13539575  1.00983533
   0.86987721  0.11879459  0.38491916
   0.62897506  0.41182965  0.11618278
   0.89925154  0.29313708  0.20105602
   0.63883999  0.18936454  0.51805802
   0.89165132  0.10377505  0.88029386
   0.57284285  0.44585674  0.62090362
   0.76507840  0.34030880  0.80279161
   0.62377803  0.66414172 -0.00188577
   0.89400660  0.59240761  0.37425496
   0.57915024  0.89807631  0.13130556
   0.82772737  0.85777519  0.26811629
   0.64384746  0.65194580  0.48830368
   0.88777724  0.59717947  0.87912091
   0.60352747  0.96351903  0.65268516
   0.83980274  0.85818921  0.76119947
   0.10177405  0.05850394  0.11321362
   0.38261596  0.18444371  0.30627342
   0.10009477  0.29658686  0.04640538
   0.37478013  0.42933289  0.34904118
   0.55400558  0.36814042  0.21782020
   0.30927518  0.35812684  0.16097461
   0.27579191  0.08100991  0.47608978
   0.03758020  0.13750594  0.39498248
   0.04669113  0.07057621  0.58597799
   0.39949652  0.21654162  0.78793211
   0.16139592  0.29705871  0.53616717
   0.36986267  0.46563244  0.84367652
   0.41526155  0.40147110  0.65056385
   0.17327935  0.36712026  0.72920745
   0.31755838  0.17538070 -0.01965687
   0.04192069  0.17455644  0.89367748
   0.13336252  0.56519662  0.10793865
   0.37882259  0.66682868  0.26521225
   0.12200046  0.80994140  0.04375325
   0.39969176  0.92771554  0.33978805
   0.42458545  0.86948480  0.15476059
   0.18507007  0.85688016  0.22842846
   0.29517944  0.66709162  0.45120692
   0.05598651  0.61439406  0.40357522
   0.13871740  0.56642486  0.59669410
   0.32162519  0.71967548  0.78524607
   0.08712251  0.80950415  0.52244382
   0.32238568  0.98998119  0.83783210
   0.44138337  0.91511247  0.64859991
   0.19526872  0.86688648  0.67771538
   0.30414958  0.64447391 -0.02460941
   0.04495123  0.61196686  0.92811273
   0.59600205  0.06519886  0.11171726
   0.81990724  0.20151964  0.28639147
   0.60475288  0.29185076  0.03166521
   0.88032940  0.43833399  0.33189795
   0.05134543  0.36550191  0.22235080
   0.79170834  0.39679447  0.14828669
   0.78607862  0.15136373  0.48434590
   0.53399802  0.11783967  0.44518033
   0.60692612  0.12507020  0.62949482
   0.80326341  0.18311550  0.79726545
   0.61332408  0.35203490  0.52481905
   0.88670272  0.45370982  0.81888193
   0.93758819  0.39330557  0.62704781
   0.68367079  0.40345681  0.70582686
   0.80124492  0.11689008  0.98553695
   0.55707887  0.07257754  0.91362210
   0.57099653  0.55380799  0.07758833
   0.84946863  0.70036159  0.29636092
   0.62718057  0.81750407  0.03454843
   0.85806975  0.95695670  0.35783006
   0.93423711  0.88708891  0.17783655
   0.67140080  0.86026705  0.22395156
   0.80012661  0.62016472  0.47118742
   0.54645716  0.57933634  0.41192208
   0.61210628  0.60193664  0.59908441
   0.86982595  0.70750068  0.78979240
   0.60524674  0.81669989  0.46874850
   0.91181781  0.95010113  0.84727847
   0.90962635  0.90013386  0.65853461
   0.67850751  0.91556620  0.75574298
   0.77461689  0.62082243  0.96253605
   0.53918131  0.65670917  0.89698857
   0.70911259  0.93139227  0.58462314
   0.68103143  0.87549494  0.47471718
   0.92942919  0.16906499  0.14388602
   0.78108910  0.42400876  0.34934944
   0.27085967  0.10363302  0.67078167
   0.31931356  0.67590473  0.71939991
   0.04831328  1.11465758  0.14776078
   0.16069490  1.01021641 -0.03469903
   0.67010417  0.36510029  0.88604054
   0.86266366  0.45403834  0.64990070
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.767518    0.060913   -0.032355
    -0.000000    9.949310    0.053581
    -0.000000   -0.000000   13.720190
   Si   O    H 
    32    64    10
Direct configuration=   368
   0.14630484  0.14627010 -0.00968510
   0.39194475  0.07114490  0.39508554
   0.15347850  0.40521287  0.12827256
   0.39637999  0.32914982  0.25697171
   0.12249908  0.15237322  0.49749214
   0.41015056  0.12355773  0.88238232
   0.10361852  0.41063456  0.62012335
   0.34318702  0.36735033  0.75608258
   0.15247579  0.65639337  0.00843755
   0.39788907  0.58487566  0.36925087
   0.08672338  0.89469141  0.13875497
   0.34129659  0.82919483  0.25335737
   0.14914683  0.66366398  0.49222280
   0.38294308  0.62459539  0.87324516
   0.06677047  0.90676268  0.61108663
   0.31251609  0.98029970  0.71891696
   0.63363962  0.13566424  1.00952472
   0.86916895  0.11883257  0.38502066
   0.62833036  0.41198999  0.11710659
   0.90041596  0.29304604  0.20063330
   0.63738586  0.18880814  0.51849504
   0.89224691  0.10347086  0.88080470
   0.57183318  0.44482855  0.62148638
   0.76430441  0.33951609  0.80289110
   0.62277454  0.66505698 -0.00112734
   0.89534278  0.59280698  0.37403353
   0.57859827  0.89842467  0.13063569
   0.82632339  0.85763358  0.26782681
   0.64510463  0.65483002  0.48804764
   0.88852288  0.59737450  0.87971342
   0.60360526  0.96322763  0.65292059
   0.83897204  0.85955192  0.76059484
   0.10209965  0.05800715  0.11269161
   0.38374134  0.18476365  0.30814810
   0.10039980  0.29674089  0.04568674
   0.37614219  0.43029159  0.35028186
   0.55304238  0.36738108  0.21705777
   0.30924786  0.35799662  0.16242927
   0.27538472  0.07943124  0.47510740
   0.03771240  0.13798592  0.39495758
   0.04694541  0.07179009  0.58557351
   0.40137947  0.21797723  0.78668041
   0.16117176  0.29646789  0.53606315
   0.36826292  0.46418395  0.84407328
   0.41597707  0.40253844  0.65038616
   0.17351152  0.36531476  0.72979154
   0.31844561  0.17671040 -0.01884456
   0.04239341  0.17316575  0.89156043
   0.13231301  0.56521641  0.10750732
   0.37910668  0.66679395  0.26566736
   0.12221312  0.80865552  0.04327668
   0.39961432  0.92757470  0.34002125
   0.42264177  0.86826163  0.15438059
   0.18426535  0.85849763  0.22776831
   0.29743247  0.66589205  0.45125141
   0.05447784  0.61565816  0.40315248
   0.13937188  0.56875150  0.59636842
   0.32282912  0.71830326  0.78418075
   0.08658366  0.81043853  0.52179231
   0.32165640  0.98872160  0.83653090
   0.44114496  0.91690409  0.64834017
   0.19608485  0.86715351  0.67755470
   0.30491851  0.64553337 -0.02515277
   0.04381891  0.61225002  0.92916845
   0.59667423  0.06542811  0.11117632
   0.81851706  0.20211263  0.28706584
   0.60267604  0.29350095  0.02995377
   0.87907219  0.43981643  0.33228903
   0.05191298  0.36416188  0.22302376
   0.79237190  0.39487570  0.14648078
   0.78734198  0.15146981  0.48453885
   0.53487834  0.11715553  0.44438721
   0.60853293  0.12385089  0.62955784
   0.80327229  0.18304027  0.79719993
   0.61478941  0.35038951  0.52683667
   0.88762637  0.45468008  0.81846536
   0.93599700  0.39464537  0.62744932
   0.68314925  0.40384542  0.70556681
   0.80099230  0.11648909  0.98701439
   0.55706405  0.07300029  0.91411584
   0.57333042  0.55336899  0.07615223
   0.84984032  0.70063835  0.29591670
   0.62595938  0.81830170  0.03476071
   0.85903968  0.95619084  0.35771147
   0.93307779  0.88732143  0.17837890
   0.67248954  0.86018783  0.22563167
   0.80338354  0.62033275  0.47144384
   0.54759418  0.57924126  0.41279653
   0.61153818  0.60464356  0.59623860
   0.87154646  0.70648013  0.78997374
   0.60682656  0.81811288  0.46921439
   0.91074841  0.95108594  0.84755465
   0.91050047  0.89938546  0.65734084
   0.67900997  0.91447029  0.75676465
   0.77484896  0.62195850  0.96271021
   0.53743089  0.65474777  0.89731289
   0.71448891  0.92919635  0.58377415
   0.67208840  0.88159368  0.47241323
   0.92459192  0.16868804  0.14040964
   0.78518324  0.42371669  0.34926923
   0.26623001  0.09927453  0.67398280
   0.31387309  0.68101107  0.71574083
   0.04970344  1.13076635  0.15688361
   0.16721066  1.00949782 -0.03696591
   0.66844546  0.35808692  0.88366761
   0.86150258  0.45690207  0.64391609
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.763550    0.064135   -0.032497
    -0.000000    9.946482    0.049357
    -0.000000   -0.000000   13.721209
   Si   O    H 
    32    64    10
Direct configuration=   369
   0.14704459  0.14687595 -0.00968855
   0.39200571  0.07134850  0.39438119
   0.15243897  0.40520017  0.12857442
   0.39668658  0.32887387  0.25716586
   0.12192255  0.15292610  0.49812801
   0.41032251  0.12310695  0.88216572
   0.10414822  0.41040052  0.61967245
   0.34485654  0.36943768  0.75534493
   0.15165099  0.65597683  0.00791928
   0.39719104  0.58493931  0.36944242
   0.08582877  0.89392566  0.13793820
   0.34075046  0.82927486  0.25361079
   0.14839506  0.66397804  0.49163248
   0.38428632  0.62484218  0.87325553
   0.06711615  0.90851028  0.61117570
   0.31156709  0.98027661  0.71907574
   0.63478118  0.13576508  1.00908252
   0.86853008  0.11894453  0.38496843
   0.62752529  0.41126792  0.11791530
   0.90102127  0.29276033  0.20054382
   0.63608197  0.18841908  0.51919269
   0.89268325  0.10382509  0.88101627
   0.57118896  0.44384933  0.62162045
   0.76401619  0.33856394  0.80303792
   0.62227808  0.66592175 -0.00024556
   0.89637398  0.59331996  0.37325435
   0.57847200  0.89883156  0.13017243
   0.82504748  0.85746743  0.26754362
   0.64638331  0.65760578  0.48824625
   0.88962711  0.59707862  0.88017564
   0.60361760  0.96314788  0.65309692
   0.83844495  0.86110367  0.76002631
   0.10208222  0.05743030  0.11241366
   0.38482412  0.18455407  0.30976091
   0.10120905  0.29742116  0.04556375
   0.37754140  0.43100645  0.35149890
   0.55266898  0.36607631  0.21650957
   0.30920393  0.35778168  0.16345403
   0.27503551  0.07805080  0.47449335
   0.03768429  0.13788025  0.39489076
   0.04702369  0.07216536  0.58526143
   0.40326180  0.21898669  0.78532676
   0.16073089  0.29663150  0.53570567
   0.36655384  0.46391571  0.84398890
   0.41591078  0.40364489  0.65014347
   0.17355389  0.36478700  0.72998890
   0.31904890  0.17804130 -0.01844190
   0.04272457  0.17243115  0.88957638
   0.13160638  0.56532445  0.10728592
   0.37880394  0.66725894  0.26661101
   0.12192130  0.80767113  0.04303135
   0.39919213  0.92694790  0.34002135
   0.42079630  0.86686534  0.15443022
   0.18392517  0.85942622  0.22784106
   0.30086247  0.66402579  0.45109654
   0.05307105  0.61664705  0.40287394
   0.14042906  0.57081408  0.59590823
   0.32374329  0.71584571  0.78286501
   0.08544369  0.81100995  0.52100016
   0.32230528  0.98756194  0.83597498
   0.44089242  0.91970545  0.64836432
   0.19668115  0.86799208  0.67797465
   0.30620603  0.64545548 -0.02532850
   0.04197810  0.61255056  0.92989814
   0.59650836  0.06446126  0.11115321
   0.81785167  0.20204962  0.28765403
   0.60071950  0.29492493  0.02857319
   0.87765731  0.44110268  0.33327868
   0.05193711  0.36287935  0.22346714
   0.79303410  0.39374565  0.14418696
   0.78943583  0.15154294  0.48461834
   0.53555289  0.11636329  0.44357136
   0.60922583  0.12262483  0.63019895
   0.80270332  0.18283673  0.79740568
   0.61603246  0.35024821  0.52897866
   0.88855734  0.45509410  0.81823350
   0.93479435  0.39515837  0.62827734
   0.68188731  0.40454733  0.70555083
   0.80057742  0.11566905  0.98799078
   0.55629380  0.07348117  0.91482116
   0.57492539  0.55353367  0.07549756
   0.84996682  0.70038271  0.29502120
   0.62463924  0.81890419  0.03519643
   0.85968998  0.95517471  0.35808570
   0.93192227  0.88720129  0.17881714
   0.67285542  0.85945086  0.22729682
   0.80633176  0.62055280  0.47198113
   0.54869054  0.57866322  0.41326779
   0.61083585  0.60644617  0.59346899
   0.87377462  0.70541322  0.79029757
   0.60791975  0.81881421  0.46949650
   0.90991628  0.95154737  0.84738393
   0.91197294  0.89731412  0.65672668
   0.67975971  0.91254561  0.75867927
   0.77529353  0.62314201  0.96313127
   0.53682911  0.65251440  0.89773159
   0.71799510  0.92609858  0.58188136
   0.67345271  0.89582971  0.46989121
   0.91940208  0.17086066  0.13723585
   0.78347172  0.42088601  0.35048109
   0.26288544  0.10052317  0.67455747
   0.30827741  0.68718865  0.71585513
   0.05336873  1.14245651  0.16517493
   0.17328494  0.99979625 -0.03993606
   0.66716336  0.35128217  0.88203545
   0.85937076  0.45892972  0.63939741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.759485    0.067410   -0.032509
    -0.000000    9.943981    0.045711
    -0.000000   -0.000000   13.721870
   Si   O    H 
    32    64    10
Direct configuration=   370
   0.14794839  0.14677832 -0.00975552
   0.39240269  0.07133793  0.39369886
   0.15116346  0.40503717  0.12869048
   0.39734056  0.32887000  0.25774352
   0.12133727  0.15333082  0.49869137
   0.40972945  0.12263959  0.88181758
   0.10412618  0.41010168  0.61926254
   0.34604311  0.37118529  0.75450118
   0.15150074  0.65519386  0.00730967
   0.39625074  0.58477817  0.36949363
   0.08541752  0.89337320  0.13757212
   0.34062338  0.83000190  0.25375511
   0.14805246  0.66408485  0.49113778
   0.38474874  0.62488684  0.87354112
   0.06735331  0.90970056  0.61158452
   0.31064428  0.98047729  0.71873891
   0.63596675  0.13571747  1.00907022
   0.86817195  0.11850415  0.38434135
   0.62729046  0.40965573  0.11860189
   0.90199191  0.29235724  0.20046295
   0.63496233  0.18821358  0.51994350
   0.89315939  0.10473921  0.88129409
   0.57067518  0.44315596  0.62204018
   0.76391757  0.33759417  0.80372676
   0.62185301  0.66695818  0.00017282
   0.89700172  0.59424992  0.37272919
   0.57745476  0.89941724  0.13017969
   0.82410557  0.85704397  0.26703865
   0.64847032  0.65972268  0.48777866
   0.89011477  0.59653617  0.88034296
   0.60316994  0.96248974  0.65327323
   0.83759349  0.86223886  0.75990158
   0.10233815  0.05810726  0.11289532
   0.38585530  0.18347449  0.31079181
   0.10204773  0.29787698  0.04551510
   0.37848821  0.43144014  0.35244839
   0.55206350  0.36540217  0.21549945
   0.30835456  0.35726886  0.16435790
   0.27436574  0.07748118  0.47407813
   0.03776884  0.13869593  0.39524134
   0.04768800  0.07244410  0.58550323
   0.40473948  0.21930231  0.78401159
   0.15973329  0.29764824  0.53585498
   0.36539914  0.46371541  0.84379364
   0.41572069  0.40371865  0.64938166
   0.17465341  0.36434255  0.72986289
   0.31971151  0.17925732 -0.01851076
   0.04288747  0.17163496  0.88788119
   0.13044816  0.56545634  0.10784584
   0.37850978  0.66732492  0.26754759
   0.12144797  0.80670672  0.04277614
   0.39818648  0.92575345  0.34012968
   0.41896643  0.86571544  0.15417226
   0.18379395  0.85975282  0.22859296
   0.30398393  0.66220327  0.45115177
   0.05226968  0.61690529  0.40212116
   0.14081104  0.57235067  0.59470735
   0.32459876  0.71311964  0.78172315
   0.08465266  0.81123283  0.52008292
   0.32288128  0.98690655  0.83591979
   0.44155103  0.92245097  0.64860949
   0.19726209  0.86874135  0.67808263
   0.30707836  0.64594983 -0.02590130
   0.03996175  0.61278171  0.93040173
   0.59585363  0.06326543  0.11152592
   0.81756105  0.20181156  0.28753591
   0.59896560  0.29683184  0.02756758
   0.87641209  0.44198271  0.33456975
   0.05233065  0.36194975  0.22391896
   0.79416275  0.39344684  0.14151507
   0.79188517  0.15044878  0.48497257
   0.53694510  0.11442072  0.44287917
   0.61014815  0.12225984  0.63136044
   0.80244698  0.18223379  0.79724218
   0.61712944  0.34964521  0.53095659
   0.88946690  0.45494866  0.81827198
   0.93458282  0.39464574  0.62864609
   0.68155958  0.40472240  0.70523124
   0.80088200  0.11463792  0.98817543
   0.55585298  0.07273308  0.91486244
   0.57627969  0.55388871  0.07529277
   0.84862311  0.70033281  0.29400510
   0.62344316  0.81920171  0.03549806
   0.85964983  0.95435479  0.35842670
   0.93040616  0.88728569  0.17919849
   0.67229497  0.85831556  0.22891247
   0.80882075  0.62086346  0.47261211
   0.54976941  0.57817191  0.41365248
   0.61127453  0.60753323  0.59129978
   0.87531146  0.70411734  0.79035052
   0.60937089  0.81913135  0.46954920
   0.90927655  0.95207830  0.84687501
   0.91311476  0.89527368  0.65685038
   0.67997861  0.91047555  0.76037423
   0.77506487  0.62444578  0.96371714
   0.53684190  0.65098789  0.89865142
   0.71787486  0.92263124  0.58242479
   0.67086073  0.90295954  0.46741848
   0.92322465  0.17577371  0.13509527
   0.78080803  0.41909865  0.35202538
   0.26101683  0.10288007  0.67485492
   0.30156527  0.68822653  0.71770488
   0.05880127  1.14717775  0.16970665
   0.17329910  0.99565914 -0.04096283
   0.66450339  0.34782467  0.88206648
   0.85838848  0.46039358  0.63708680
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.755862    0.070545   -0.032610
    -0.000000    9.941023    0.042337
    -0.000000   -0.000000   13.722348
   Si   O    H 
    32    64    10
Direct configuration=   371
   0.14900413  0.14648594 -0.00984910
   0.39223749  0.07193333  0.39316765
   0.15019182  0.40471631  0.12934325
   0.39831390  0.32865560  0.25832204
   0.12114628  0.15329144  0.49861059
   0.40846396  0.12257162  0.88152420
   0.10344359  0.40963094  0.61915329
   0.34709450  0.37172324  0.75301606
   0.15133154  0.65463267  0.00686706
   0.39533584  0.58471516  0.36977807
   0.08430082  0.89264744  0.13741080
   0.34082445  0.83100448  0.25377845
   0.14775771  0.66440444  0.49096496
   0.38502797  0.62523891  0.87335508
   0.06749308  0.91100198  0.61198602
   0.30947580  0.98122630  0.71809799
   0.63689938  0.13584622  1.00939058
   0.86855411  0.11818640  0.38361322
   0.62748346  0.40806982  0.11884112
   0.90248112  0.29216389  0.20013084
   0.63354544  0.18837259  0.52093260
   0.89372299  0.10563700  0.88144955
   0.57058850  0.44240079  0.62208300
   0.76300625  0.33723465  0.80453877
   0.62171066  0.66827213  0.00038861
   0.89750002  0.59514459  0.37212381
   0.57696466  0.90011045  0.12962502
   0.82334945  0.85635042  0.26673632
   0.65038842  0.66164382  0.48703197
   0.89046338  0.59610188  0.88029745
   0.60337884  0.96138782  0.65352551
   0.83713686  0.86283510  0.75945903
   0.10353247  0.05985305  0.11352082
   0.38672655  0.18255262  0.31107080
   0.10330828  0.29852435  0.04526235
   0.37943318  0.43091106  0.35303698
   0.55044769  0.36487152  0.21450762
   0.30738182  0.35700244  0.16481026
   0.27368351  0.07636303  0.47393402
   0.03733811  0.13977440  0.39573753
   0.04866141  0.07249229  0.58553947
   0.40590320  0.21938916  0.78293371
   0.15784536  0.29954652  0.53571554
   0.36504520  0.46404710  0.84408960
   0.41560378  0.40397951  0.64864281
   0.17564462  0.36405853  0.72914354
   0.32132065  0.18073785 -0.01862434
   0.04364310  0.17054338  0.88651022
   0.12972177  0.56463543  0.10799345
   0.37722931  0.66658927  0.26796815
   0.12078403  0.80613859  0.04214234
   0.39753991  0.92441018  0.34033984
   0.41714067  0.86487242  0.15389872
   0.18296876  0.86041885  0.22909291
   0.30654957  0.66086200  0.45145939
   0.05134106  0.61754337  0.40118805
   0.14156091  0.57369155  0.59379102
   0.32502791  0.71058475  0.78115158
   0.08401426  0.81212479  0.51919711
   0.32380329  0.98628896  0.83595814
   0.44182644  0.92430175  0.64922613
   0.19686734  0.86904353  0.67781752
   0.30835449  0.64685070 -0.02610456
   0.03727305  0.61395410  0.93060851
   0.59623571  0.06208744  0.11157336
   0.81792956  0.20133522  0.28754987
   0.59803438  0.29802280  0.02633532
   0.87533182  0.44297288  0.33620594
   0.05322292  0.36065991  0.22448880
   0.79556391  0.39319525  0.13896101
   0.79446672  0.15007147  0.48556680
   0.53867163  0.11246409  0.44241036
   0.61042178  0.12216500  0.63206397
   0.80217018  0.18208848  0.79615907
   0.61804961  0.34831928  0.53265080
   0.88995675  0.45408828  0.81876585
   0.93509910  0.39497290  0.62821477
   0.68082903  0.40488969  0.70519015
   0.80129670  0.11344556  0.98874597
   0.55668172  0.07154862  0.91439187
   0.57754041  0.55425341  0.07564858
   0.84751592  0.70064792  0.29297815
   0.62232329  0.81945100  0.03527573
   0.85882650  0.95412597  0.35927748
   0.92934501  0.88684382  0.17986634
   0.67139388  0.85751019  0.22975334
   0.81182335  0.62012522  0.47331042
   0.55022550  0.57812535  0.41369756
   0.61115649  0.60793608  0.58986281
   0.87761839  0.70356671  0.78989488
   0.61073930  0.81901358  0.46941915
   0.90906643  0.95195313  0.84573046
   0.91362631  0.89315680  0.65789570
   0.68027565  0.90940275  0.76164699
   0.77511565  0.62508071  0.96544033
   0.53812443  0.65015002  0.89980678
   0.71650330  0.91897940  0.58649015
   0.66431186  0.89768795  0.46883793
   0.92891131  0.18205466  0.13337081
   0.77682953  0.41576526  0.35366701
   0.26306989  0.10525069  0.67539893
   0.29494299  0.68506970  0.71683515
   0.06180177  1.13942493  0.16857932
   0.16906728  0.99769602 -0.03938971
   0.66182495  0.34649845  0.88230349
   0.86025796  0.45917912  0.63457265
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752435    0.073247   -0.032046
    -0.000000    9.938338    0.038880
    -0.000000   -0.000000   13.722721
   Si   O    H 
    32    64    10
Direct configuration=   372
   0.15026133  0.14618699 -0.01016285
   0.39233404  0.07227901  0.39277182
   0.14942884  0.40371102  0.13005586
   0.39955155  0.32880520  0.25891996
   0.12134788  0.15340914  0.49857796
   0.40689743  0.12181568  0.88145829
   0.10239150  0.40976673  0.61913714
   0.34780984  0.37211609  0.75130718
   0.15143980  0.65420345  0.00652941
   0.39482544  0.58426191  0.37004310
   0.08397010  0.89228996  0.13761371
   0.34057376  0.83150269  0.25336529
   0.14749235  0.66421408  0.49095539
   0.38462455  0.62503109  0.87333107
   0.06764228  0.91236627  0.61231990
   0.30879800  0.98196965  0.71733578
   0.63774064  0.13581438  1.00976718
   0.86843855  0.11787603  0.38288331
   0.62800082  0.40646591  0.11877172
   0.90250217  0.29190686  0.20010327
   0.63215970  0.18861205  0.52203197
   0.89334992  0.10682486  0.88159763
   0.57012186  0.44209837  0.62202424
   0.76275320  0.33748662  0.80519791
   0.62178394  0.66911229  0.00071268
   0.89810496  0.59654207  0.37167652
   0.57712775  0.90055338  0.12879523
   0.82251276  0.85574606  0.26695425
   0.65195782  0.66352874  0.48623983
   0.89070354  0.59598559  0.88018818
   0.60329037  0.96051027  0.65397696
   0.83643847  0.86405648  0.75939479
   0.10322189  0.06229825  0.11410539
   0.38752917  0.18252076  0.31042743
   0.10412016  0.29898536  0.04517835
   0.37923813  0.42993662  0.35356125
   0.54951270  0.36346781  0.21366400
   0.30528025  0.35693465  0.16516534
   0.27304007  0.07605990  0.47366050
   0.03669009  0.14159346  0.39659429
   0.04986489  0.07178642  0.58523313
   0.40709829  0.21896732  0.78170199
   0.15553927  0.30237879  0.53637629
   0.36418783  0.46516434  0.84461577
   0.41587354  0.40459938  0.64758974
   0.17667693  0.36444113  0.72831263
   0.32374647  0.18210285 -0.01926985
   0.04473703  0.17012657  0.88541369
   0.12953956  0.56390754  0.10801386
   0.37647335  0.66734795  0.26796561
   0.12070994  0.80630823  0.04173847
   0.39657414  0.92263116  0.34087124
   0.41613142  0.86518315  0.15355345
   0.18221317  0.86050289  0.22931459
   0.30862279  0.65966943  0.45240693
   0.05128557  0.61820456  0.40057851
   0.14245012  0.57415059  0.59345882
   0.32637658  0.70875431  0.78109395
   0.08324764  0.81315080  0.51786234
   0.32484108  0.98635786  0.83604017
   0.44153293  0.92597242  0.65001463
   0.19640422  0.86965905  0.67754077
   0.30922100  0.64779813 -0.02600075
   0.03544977  0.61494092  0.93134273
   0.59632143  0.06024438  0.11163255
   0.81805986  0.20163901  0.28799886
   0.59704477  0.29919288  0.02583545
   0.87426082  0.44372611  0.33755509
   0.05436768  0.35962206  0.22498303
   0.79619454  0.39299257  0.13678087
   0.79637571  0.14956752  0.48581185
   0.54089530  0.11008866  0.44206197
   0.61010754  0.12259756  0.63297565
   0.80178328  0.18171867  0.79473885
   0.61830675  0.34652481  0.53379424
   0.88996981  0.45398039  0.81953074
   0.93546146  0.39459752  0.62775476
   0.67985895  0.40477002  0.70514438
   0.80173123  0.11234857  0.98881143
   0.55734537  0.07083819  0.91383667
   0.57839652  0.55409687  0.07653035
   0.84636124  0.70108734  0.29173026
   0.62223697  0.82102007  0.03474339
   0.85777949  0.95381827  0.35978980
   0.92840176  0.88687447  0.18070740
   0.66954911  0.85720495  0.22995411
   0.81421402  0.61886565  0.47479424
   0.55108777  0.57823609  0.41402537
   0.61189658  0.60691596  0.58945347
   0.87973497  0.70363081  0.78998164
   0.61238631  0.81921066  0.46865357
   0.90943139  0.95141617  0.84486747
   0.91432074  0.89101318  0.65898069
   0.67944677  0.90835207  0.76238279
   0.77527166  0.62632199  0.96642890
   0.53930766  0.64952671  0.90098207
   0.71228138  0.91637153  0.58965962
   0.66296169  0.89096096  0.47113401
   0.93772285  0.18759654  0.13053608
   0.78379217  0.41478535  0.35295195
   0.26880184  0.11129215  0.67786482
   0.28657357  0.68321451  0.71572291
   0.06357934  1.12311771  0.16224731
   0.16276405  1.00296081 -0.03429787
   0.66066116  0.34916951  0.88319623
   0.86052050  0.45862626  0.63414438
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.749298    0.075388   -0.031906
    -0.000000    9.935764    0.035421
    -0.000000   -0.000000   13.723207
   Si   O    H 
    32    64    10
Direct configuration=   373
   0.15198131  0.14599862 -0.01005456
   0.39232875  0.07262012  0.39274038
   0.14919231  0.40298959  0.13042621
   0.40065581  0.32908935  0.25944141
   0.12176535  0.15342550  0.49815765
   0.40568226  0.12145275  0.88120116
   0.10270820  0.40943338  0.61927614
   0.34819662  0.37257600  0.74997924
   0.15191645  0.65381755  0.00658795
   0.39467363  0.58397057  0.37034688
   0.08343604  0.89154239  0.13780143
   0.34101510  0.83179479  0.25309131
   0.14707335  0.66360022  0.49120980
   0.38362452  0.62486075  0.87321347
   0.06776331  0.91346986  0.61287047
   0.30831364  0.98266104  0.71679910
   0.63873631  0.13660971  1.00971784
   0.86871445  0.11685447  0.38257457
   0.62859927  0.40486507  0.11791244
   0.90222702  0.29177777  0.19983570
   0.63158117  0.18813979  0.52306545
   0.89292366  0.10787613  0.88157926
   0.57071989  0.44299189  0.62227181
   0.76271761  0.33762348  0.80578220
   0.62179450  0.67005486  0.00082601
   0.89839489  0.59791505  0.37158314
   0.57683756  0.90086563  0.12815086
   0.82222291  0.85456788  0.26748917
   0.65306098  0.66551588  0.48523696
   0.89032289  0.59542986  0.87987089
   0.60335373  0.95968231  0.65487352
   0.83656546  0.86470976  0.75940747
   0.10329110  0.06382682  0.11441692
   0.38802032  0.18302829  0.30956956
   0.10529625  0.29912367  0.04440210
   0.37900035  0.42880728  0.35432073
   0.54850272  0.36167699  0.21308808
   0.30307661  0.35650959  0.16543440
   0.27186950  0.07604765  0.47410757
   0.03537976  0.14310238  0.39744490
   0.05209146  0.07107426  0.58504006
   0.40773671  0.21869138  0.78138976
   0.15359263  0.30598888  0.53634935
   0.36340420  0.46637383  0.84526900
   0.41641608  0.40592599  0.64637313
   0.17873511  0.36581310  0.72761843
   0.32587130  0.18300153 -0.01978988
   0.04471441  0.17016853  0.88480757
   0.12980594  0.56340770  0.10835097
   0.37629525  0.66846633  0.26833520
   0.12058353  0.80749535  0.04169994
   0.39583160  0.92199371  0.34156617
   0.41606986  0.86583539  0.15318781
   0.18053382  0.86067460  0.22964672
   0.31001930  0.65940791  0.45336242
   0.05203980  0.61853468  0.40003538
   0.14333170  0.57382505  0.59296113
   0.32720628  0.70659277  0.78053514
   0.08275376  0.81430113  0.51645598
   0.32613504  0.98690689  0.83614195
   0.44184912  0.92775569  0.65129379
   0.19666259  0.87045267  0.67751297
   0.31002963  0.64929341 -0.02617836
   0.03442234  0.61627384  0.93188432
   0.59741824  0.05848072  0.11146966
   0.81767113  0.20260010  0.28864306
   0.59604690  0.29988711  0.02496200
   0.87355285  0.44438568  0.33932233
   0.05538849  0.35893704  0.22542137
   0.79609991  0.39353369  0.13473760
   0.79760111  0.14939039  0.48584278
   0.54274308  0.10794962  0.44149895
   0.60862736  0.12358316  0.63394965
   0.80191335  0.18119839  0.79365492
   0.61796507  0.34435037  0.53483609
   0.88968626  0.45377526  0.82032869
   0.93575429  0.39453908  0.62707201
   0.67919559  0.40412712  0.70578847
   0.80170455  0.11104464  0.98855468
   0.55817681  0.06945379  0.91370102
   0.57851808  0.55368180  0.07727390
   0.84509135  0.70092041  0.29012664
   0.62162161  0.82238780  0.03411213
   0.85724645  0.95318372  0.36032237
   0.92749165  0.88741919  0.18160118
   0.66759289  0.85759416  0.22905818
   0.81653122  0.61783832  0.47589241
   0.55206708  0.57926380  0.41392831
   0.61176123  0.60628225  0.58947514
   0.88156026  0.70314230  0.78998586
   0.61325691  0.81771339  0.46804526
   0.90999388  0.95161572  0.84428440
   0.91514267  0.88946509  0.65969482
   0.67757217  0.90771248  0.76199033
   0.77549440  0.62684266  0.96699074
   0.54097882  0.64888259  0.90122049
   0.70663784  0.91138274  0.59118233
   0.67408915  0.90388188  0.47567052
   0.94358958  0.19414967  0.13193082
   0.78735612  0.40950887  0.35371427
   0.27058670  0.11378013  0.67920392
   0.28146555  0.68245737  0.71910661
   0.05728522  1.11347316  0.16211975
   0.15618321  1.00587148 -0.02821509
   0.66183906  0.35235260  0.88144839
   0.86035847  0.45954498  0.63343902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.745570    0.078033   -0.031120
    -0.000000    9.933231    0.031892
    -0.000000   -0.000000   13.723836
   Si   O    H 
    32    64    10
Direct configuration=   374
   0.15397462  0.14626263 -0.01005965
   0.39244943  0.07246853  0.39267000
   0.14909650  0.40162894  0.13085997
   0.40100711  0.32936135  0.25992650
   0.12210914  0.15335510  0.49783114
   0.40448141  0.12123190  0.88113112
   0.10313454  0.40979026  0.61974130
   0.34814220  0.37249280  0.74876786
   0.15249673  0.65319705  0.00652242
   0.39470722  0.58401512  0.37073005
   0.08281505  0.89093337  0.13797698
   0.34069492  0.83173322  0.25305317
   0.14698109  0.66291093  0.49182134
   0.38329890  0.62483473  0.87272382
   0.06734696  0.91457846  0.61325029
   0.30766573  0.98372503  0.71647987
   0.63886413  0.13729667  1.00955722
   0.86954063  0.11594682  0.38202442
   0.62906714  0.40346878  0.11675818
   0.90196443  0.29221869  0.19994616
   0.63193446  0.18732663  0.52417677
   0.89248833  0.10872955  0.88165004
   0.57131967  0.44344936  0.62237439
   0.76277876  0.33826696  0.80620296
   0.62142117  0.67089386  0.00015622
   0.89843388  0.59909998  0.37182861
   0.57602388  0.90091677  0.12765942
   0.82144285  0.85387009  0.26768463
   0.65344867  0.66753744  0.48428110
   0.88949268  0.59510213  0.87973266
   0.60364892  0.95914931  0.65575975
   0.83671604  0.86492951  0.76003249
   0.10434980  0.06369615  0.11367337
   0.38802046  0.18365728  0.30858824
   0.10565975  0.29946581  0.04321546
   0.37866512  0.42707436  0.35466784
   0.54742014  0.35982594  0.21273700
   0.30088923  0.35662846  0.16583379
   0.27051757  0.07646030  0.47409159
   0.03363365  0.14533695  0.39798208
   0.05488019  0.07001572  0.58535216
   0.40830645  0.21965334  0.78134617
   0.15180649  0.30877923  0.53638361
   0.36199949  0.46736501  0.84539833
   0.41646456  0.40705298  0.64544856
   0.18041480  0.36725223  0.72631967
   0.32851954  0.18406464 -0.02101757
   0.04475562  0.16958687  0.88477996
   0.12979987  0.56325761  0.10938384
   0.37605705  0.66919684  0.26874320
   0.11938543  0.80953472  0.04222797
   0.39494645  0.92138195  0.34233134
   0.41670858  0.86662232  0.15314959
   0.17858926  0.85995955  0.23032256
   0.30976160  0.65959858  0.45463003
   0.05273883  0.61895150  0.39970960
   0.14460603  0.57300660  0.59230157
   0.32797915  0.70362078  0.77994199
   0.08249900  0.81554030  0.51551207
   0.32817641  0.98684973  0.83621908
   0.44226054  0.92899809  0.65261442
   0.19731599  0.87126092  0.67816775
   0.31057091  0.65071930 -0.02650782
   0.03403047  0.61782571  0.93191671
   0.59819395  0.05605969  0.11090078
   0.81772984  0.20318519  0.28900594
   0.59578940  0.30049410  0.02377254
   0.87378223  0.44451324  0.34088337
   0.05573185  0.35869563  0.22580698
   0.79631841  0.39356174  0.13207477
   0.79765370  0.14908341  0.48598017
   0.54373658  0.10598761  0.44094126
   0.60742766  0.12446710  0.63457046
   0.80136962  0.18007363  0.79285239
   0.61717023  0.34228865  0.53563642
   0.88911895  0.45314300  0.82061872
   0.93685158  0.39410163  0.62621473
   0.67960265  0.40376024  0.70654796
   0.80180090  0.11029538  0.98859112
   0.55922436  0.06884096  0.91341343
   0.57825673  0.55308189  0.07784152
   0.84404649  0.70041795  0.28925104
   0.62115368  0.82389202  0.03358491
   0.85679789  0.95373112  0.36062641
   0.92630132  0.88738147  0.18270940
   0.66535255  0.85849239  0.22830337
   0.81781927  0.61672907  0.47694997
   0.55255935  0.57990045  0.41352369
   0.61171614  0.60610816  0.59097987
   0.88233530  0.70315847  0.79005944
   0.61434576  0.81764867  0.46724899
   0.91062656  0.95130225  0.84367315
   0.91603636  0.88792213  0.65996748
   0.67494538  0.90687583  0.76116075
   0.77618492  0.62671435  0.96718905
   0.54230607  0.64900923  0.90148963
   0.70232353  0.90848467  0.59020544
   0.67575569  0.90139695  0.47970611
   0.94411271  0.19463001  0.13081215
   0.78530018  0.40147116  0.35557993
   0.27014205  0.11428125  0.67985699
   0.27638143  0.68198073  0.72181454
   0.04235236  1.11412842  0.17139317
   0.15546736  1.00755559 -0.02627555
   0.66175822  0.35674368  0.88039687
   0.86351736  0.45924371  0.63128695
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.742031    0.080748   -0.030654
    -0.000000    9.931381    0.028258
    -0.000000   -0.000000   13.724646
   Si   O    H 
    32    64    10
Direct configuration=   375
   0.15630370  0.14668503 -0.00983003
   0.39218706  0.07186271  0.39252729
   0.14905886  0.40030553  0.13078106
   0.40095150  0.32972459  0.26042773
   0.12270433  0.15317703  0.49722039
   0.40302049  0.12130076  0.88097847
   0.10385988  0.41051151  0.62047487
   0.34792276  0.37190268  0.74805313
   0.15337285  0.65267431  0.00678757
   0.39557262  0.58450099  0.37078421
   0.08218639  0.89062155  0.13852095
   0.34036630  0.83197776  0.25297147
   0.14745917  0.66231405  0.49281970
   0.38352121  0.62446770  0.87198445
   0.06656660  0.91546019  0.61349575
   0.30642995  0.98464593  0.71611311
   0.63829940  0.13788259  1.00895981
   0.87021595  0.11476715  0.38133012
   0.62944366  0.40172400  0.11564865
   0.90198383  0.29243140  0.20018111
   0.63292931  0.18600500  0.52493526
   0.89195532  0.10858452  0.88129644
   0.57232699  0.44373034  0.62222120
   0.76255340  0.33997331  0.80618332
   0.62150076  0.67143019 -0.00037914
   0.89835720  0.59992348  0.37207451
   0.57501091  0.90057376  0.12753013
   0.82091946  0.85371485  0.26821917
   0.65445127  0.66898048  0.48328971
   0.88870949  0.59496716  0.87972703
   0.60370097  0.95923724  0.65644660
   0.83690207  0.86507423  0.76051589
   0.10497173  0.06331879  0.11319170
   0.38835407  0.18337191  0.30769454
   0.10552890  0.30029649  0.04190361
   0.37893693  0.42623322  0.35503021
   0.54605844  0.35832857  0.21315247
   0.29920362  0.35715669  0.16554981
   0.26874763  0.07700524  0.47450455
   0.03226230  0.14807236  0.39903002
   0.05647783  0.06937343  0.58581548
   0.40898502  0.22152228  0.78139087
   0.15002373  0.31028468  0.53614013
   0.36058931  0.46859600  0.84564650
   0.41647263  0.40934244  0.64428449
   0.18168325  0.36871476  0.72463502
   0.33054600  0.18488766 -0.02243396
   0.04474981  0.16862363  0.88586932
   0.13029448  0.56318171  0.11015613
   0.37581644  0.66963810  0.26931858
   0.11829561  0.81151914  0.04264722
   0.39379610  0.92204066  0.34297372
   0.41803536  0.86724379  0.15332208
   0.17671863  0.85921350  0.23091681
   0.30968614  0.66064462  0.45626398
   0.05456680  0.61875793  0.39928556
   0.14546634  0.57168209  0.59139857
   0.32858554  0.70060532  0.77862894
   0.08220475  0.81691168  0.51483060
   0.33025747  0.98690881  0.83658871
   0.44211251  0.92983534  0.65316644
   0.19700389  0.87196364  0.67910965
   0.30991446  0.65290224 -0.02674237
   0.03385341  0.61950005  0.93156009
   0.59863067  0.05446340  0.11003912
   0.81733483  0.20399279  0.28907382
   0.59544040  0.30005108  0.02279154
   0.87378822  0.44505800  0.34262218
   0.05588940  0.35838647  0.22666338
   0.79730772  0.39336191  0.12986861
   0.79771357  0.14976023  0.48618250
   0.54405572  0.10393971  0.44065202
   0.60619237  0.12521407  0.63512736
   0.80087226  0.17899662  0.79158704
   0.61684247  0.34105950  0.53577670
   0.88901034  0.45303667  0.82107619
   0.93798526  0.39339693  0.62616396
   0.68048724  0.40280206  0.70704085
   0.80261173  0.10950583  0.98817460
   0.55957032  0.06907024  0.91334230
   0.57795064  0.55257988  0.07826465
   0.84374876  0.69893314  0.28811221
   0.61992556  0.82551834  0.03283045
   0.85650961  0.95463414  0.36084012
   0.92610078  0.88754028  0.18322163
   0.66340478  0.85958058  0.22724006
   0.81907864  0.61593355  0.47797772
   0.55278016  0.58114264  0.41240087
   0.61112665  0.60563574  0.59236563
   0.88289576  0.70485253  0.78937638
   0.61545171  0.81811032  0.46695837
   0.91094963  0.95189569  0.84305967
   0.91648785  0.88642210  0.65912832
   0.67321875  0.90626845  0.76037330
   0.77739123  0.62568771  0.96785466
   0.54250169  0.64955195  0.90122867
   0.70250523  0.90477286  0.58747111
   0.67082295  0.88872888  0.48124270
   0.94248053  0.19431809  0.13141819
   0.78388079  0.39385400  0.35719783
   0.26475240  0.11393006  0.68122186
   0.26890087  0.68153807  0.72353864
   0.03541583  1.11686504  0.17448359
   0.16056313  1.00136650 -0.02686649
   0.66017270  0.36304121  0.88010341
   0.86526638  0.45739989  0.63140572
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.738482    0.083173   -0.029808
    -0.000000    9.930117    0.024642
    -0.000000   -0.000000   13.725601
   Si   O    H 
    32    64    10
Direct configuration=   376
   0.15831480  0.14697348 -0.00993820
   0.39109254  0.07155042  0.39222480
   0.14897878  0.39877983  0.13052089
   0.40099608  0.33033795  0.26079067
   0.12329563  0.15352558  0.49679220
   0.40188202  0.12145051  0.88060006
   0.10411463  0.41077220  0.62102687
   0.34725157  0.37103612  0.74761719
   0.15413922  0.65259647  0.00737071
   0.39692499  0.58520784  0.37099923
   0.08097991  0.89043690  0.13888330
   0.34027900  0.83265397  0.25301034
   0.14796982  0.66222707  0.49376602
   0.38340094  0.62366662  0.87194803
   0.06616352  0.91579080  0.61419965
   0.30582933  0.98592908  0.71621348
   0.63797331  0.13911888  1.00833125
   0.87129169  0.11377233  0.38099201
   0.62940593  0.40025912  0.11421029
   0.90221292  0.29279877  0.20060819
   0.63429621  0.18444136  0.52619359
   0.89169105  0.10807425  0.88065147
   0.57396771  0.44451481  0.62255294
   0.76155733  0.34212070  0.80614771
   0.62210339  0.67187561 -0.00087651
   0.89832618  0.59993232  0.37201405
   0.57395633  0.89947680  0.12774807
   0.81954256  0.85359957  0.26877596
   0.65571244  0.66964488  0.48281282
   0.88771545  0.59466976  0.87985827
   0.60469062  0.95917117  0.65706428
   0.83730606  0.86514787  0.76109360
   0.10495330  0.06298824  0.11325934
   0.38817093  0.18237785  0.30649804
   0.10500668  0.30045966  0.04030697
   0.37927743  0.42508164  0.35530358
   0.54554745  0.35701102  0.21351670
   0.29824333  0.35781788  0.16538227
   0.26755100  0.07729863  0.47433502
   0.03107388  0.15009999  0.40038638
   0.05835143  0.06935508  0.58613290
   0.40937861  0.22429402  0.78150134
   0.14767268  0.31048097  0.53637823
   0.35899709  0.46892703  0.84551155
   0.41600884  0.41120853  0.64318432
   0.18240280  0.36948737  0.72304742
   0.33136079  0.18641491 -0.02406277
   0.04489262  0.16815736  0.88714102
   0.13093088  0.56279593  0.11057137
   0.37504400  0.67004367  0.27021114
   0.11783807  0.81207985  0.04279452
   0.39274950  0.92209574  0.34306429
   0.41881200  0.86760981  0.15373982
   0.17473682  0.85885242  0.23150910
   0.30926670  0.66179095  0.45785030
   0.05623133  0.61840617  0.39865792
   0.14535524  0.56983573  0.59049476
   0.32946323  0.69744431  0.77695654
   0.08191710  0.81856322  0.51462904
   0.33223297  0.98725293  0.83680307
   0.44225426  0.93147196  0.65364527
   0.19631696  0.87249682  0.68015734
   0.30902293  0.65441042 -0.02631834
   0.03459000  0.62048202  0.93112296
   0.59913757  0.05433908  0.10902497
   0.81696870  0.20438363  0.28884234
   0.59540397  0.29928701  0.02264187
   0.87353312  0.44409923  0.34321968
   0.05608452  0.35879537  0.22728108
   0.79783511  0.39388829  0.12802360
   0.79701693  0.15039128  0.48656696
   0.54437222  0.10184010  0.44060827
   0.60598510  0.12609173  0.63530595
   0.79916079  0.17815411  0.79065189
   0.61738693  0.34062280  0.53550791
   0.88835974  0.45305615  0.82142969
   0.93903565  0.39201695  0.62586725
   0.68192602  0.40181395  0.70730832
   0.80199589  0.10895259  0.98794906
   0.55915905  0.06945707  0.91345903
   0.57821720  0.55204221  0.07866923
   0.84307136  0.69651546  0.28756167
   0.61855409  0.82576432  0.03187500
   0.85570503  0.95494761  0.36080762
   0.92626023  0.88764010  0.18379056
   0.66134173  0.86064323  0.22618136
   0.81997105  0.61598990  0.47851566
   0.55314199  0.58200134  0.41138269
   0.61113809  0.60590730  0.59343865
   0.88319360  0.70692759  0.78836730
   0.61601618  0.81776005  0.46672948
   0.91127285  0.95378962  0.84265467
   0.91701335  0.88471263  0.65796695
   0.67237860  0.90575374  0.75960050
   0.77785387  0.62538703  0.96843718
   0.54269905  0.65045962  0.90050369
   0.70242205  0.89956149  0.58628877
   0.67156059  0.88401036  0.48559395
   0.94184948  0.18949991  0.13356676
   0.79005108  0.39135056  0.35727317
   0.25836803  0.11466059  0.68214688
   0.26303407  0.68195784  0.72371948
   0.03600172  1.11673773  0.17069647
   0.16984952  0.99346490 -0.03061801
   0.65529049  0.36878268  0.88110190
   0.86117253  0.46013707  0.63093340
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.735062    0.084928   -0.028847
    -0.000000    9.929065    0.021257
    -0.000000   -0.000000   13.725747
   Si   O    H 
    32    64    10
Direct configuration=   377
   0.16041156  0.14739091 -0.00957549
   0.39004191  0.07054459  0.39230293
   0.14806805  0.39779011  0.12997423
   0.39992131  0.33037809  0.26085563
   0.12436969  0.15479032  0.49657341
   0.40151016  0.12182867  0.88037945
   0.10410798  0.41152761  0.62159741
   0.34612810  0.37054041  0.74723726
   0.15409029  0.65280040  0.00839653
   0.39831036  0.58551335  0.37161827
   0.07931176  0.89053332  0.13909243
   0.34030085  0.83265085  0.25305094
   0.14849618  0.66233098  0.49460840
   0.38294751  0.62305550  0.87156310
   0.06567499  0.91558839  0.61456334
   0.30509957  0.98685525  0.71645108
   0.63721283  0.14011590  1.00765266
   0.87211841  0.11277283  0.38062942
   0.62901883  0.39914156  0.11304667
   0.90212899  0.29388372  0.20062174
   0.63533930  0.18271983  0.52763120
   0.89096979  0.10699228  0.88013620
   0.57610494  0.44572300  0.62260038
   0.76104973  0.34413316  0.80608215
   0.62373749  0.67227640 -0.00100710
   0.89876848  0.60026470  0.37217804
   0.57331538  0.89872600  0.12826289
   0.81896909  0.85329934  0.26884531
   0.65710115  0.66924936  0.48245856
   0.88639691  0.59430181  0.87968622
   0.60602855  0.95972059  0.65773026
   0.83811758  0.86500515  0.76210149
   0.10449179  0.06272185  0.11392517
   0.38827691  0.18143521  0.30542395
   0.10524671  0.30038863  0.03913701
   0.37890790  0.42451597  0.35580850
   0.54698614  0.35577496  0.21345501
   0.29783181  0.35892898  0.16573173
   0.26619660  0.07844317  0.47449056
   0.02993482  0.15130983  0.40116360
   0.06037263  0.06869165  0.58621141
   0.40911512  0.22732189  0.78249157
   0.14538091  0.31055807  0.53622769
   0.35743068  0.46922296  0.84587505
   0.41553519  0.41300576  0.64193944
   0.18256263  0.37006412  0.72145330
   0.33199385  0.18773776 -0.02626633
   0.04476721  0.16688141  0.88818737
   0.13113644  0.56258225  0.11095054
   0.37469288  0.67086718  0.27101001
   0.11805269  0.81236873  0.04275542
   0.39189663  0.92272450  0.34359350
   0.41918933  0.86802044  0.15357184
   0.17311741  0.85798486  0.23214290
   0.30914021  0.66216939  0.45938764
   0.05783546  0.61790821  0.39820945
   0.14500162  0.56778949  0.59014238
   0.32989328  0.69458965  0.77508149
   0.08191258  0.82057941  0.51450039
   0.33363347  0.98790468  0.83658147
   0.44160094  0.93291040  0.65454227
   0.19605417  0.87318952  0.68105573
   0.30830829  0.65519596 -0.02602670
   0.03614502  0.62092292  0.93092868
   0.60087452  0.05546886  0.10778774
   0.81728051  0.20495643  0.28849631
   0.59595447  0.29830869  0.02262509
   0.87325624  0.44391195  0.34343175
   0.05577642  0.35923463  0.22691266
   0.79899384  0.39353482  0.12646143
   0.79612314  0.15162827  0.48700943
   0.54495364  0.10041488  0.44091505
   0.60542037  0.12621765  0.63522510
   0.79784435  0.17740818  0.79003994
   0.61725087  0.34123291  0.53511844
   0.88723562  0.45235078  0.82195053
   0.93954967  0.39209505  0.62597640
   0.68364951  0.40150560  0.70722008
   0.80161177  0.10952892  0.98722674
   0.55864448  0.06949482  0.91317712
   0.57911737  0.55198614  0.07896018
   0.84247288  0.69473353  0.28765442
   0.61750482  0.82536691  0.03126032
   0.85486602  0.95492997  0.36036268
   0.92706915  0.88831381  0.18406702
   0.66032613  0.86081653  0.22514868
   0.82065068  0.61685580  0.47843725
   0.55317644  0.58222235  0.41062701
   0.61039706  0.60514505  0.59512280
   0.88325508  0.70893467  0.78770147
   0.61632158  0.81766187  0.46626602
   0.91183852  0.95511343  0.84272299
   0.91750509  0.88252120  0.65743577
   0.67217575  0.90628793  0.75921493
   0.77897787  0.62604695  0.96908867
   0.54156852  0.65127405  0.89941998
   0.70178779  0.89883110  0.58833077
   0.67899407  0.89219485  0.49214041
   0.93952727  0.18205062  0.13293993
   0.80063035  0.39037335  0.35873665
   0.25548344  0.12068863  0.67966371
   0.25870382  0.68276635  0.72661476
   0.04507599  1.11289287  0.16275403
   0.17427547  0.99229382 -0.03782620
   0.65188846  0.36940299  0.88229728
   0.86564747  0.45692768  0.62886152
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.731498    0.086907   -0.028279
    -0.000000    9.927879    0.017762
    -0.000000   -0.000000   13.725671
   Si   O    H 
    32    64    10
Direct configuration=   378
   0.16217240  0.14756276 -0.00934487
   0.38973950  0.07017417  0.39279467
   0.14725165  0.39779057  0.12949923
   0.39817482  0.33025068  0.26022369
   0.12591307  0.15614729  0.49639875
   0.40194896  0.12233328  0.88003791
   0.10365981  0.41252212  0.62241273
   0.34472428  0.37028348  0.74709723
   0.15403758  0.65391631  0.00881836
   0.39915885  0.58567085  0.37284859
   0.07799989  0.89042990  0.13916866
   0.34045989  0.83211803  0.25289825
   0.14813388  0.66322444  0.49527357
   0.38233158  0.62267041  0.87136156
   0.06538307  0.91553966  0.61484716
   0.30451156  0.98763045  0.71687982
   0.63670902  0.14052462  1.00725561
   0.87300889  0.11239290  0.38037814
   0.62861468  0.39838921  0.11221789
   0.90199961  0.29472276  0.20086525
   0.63567956  0.18109974  0.52868338
   0.89033733  0.10599351  0.87950527
   0.57766873  0.44739841  0.62230816
   0.76025770  0.34593978  0.80626159
   0.62468602  0.67160978 -0.00161318
   0.89876123  0.60041669  0.37257419
   0.57383770  0.89804197  0.12825135
   0.81857077  0.85295063  0.26872920
   0.65826259  0.66857685  0.48237453
   0.88506542  0.59416481  0.87960987
   0.60681300  0.96041921  0.65840686
   0.83790792  0.86462556  0.76279166
   0.10496764  0.06264359  0.11503702
   0.38738252  0.18028361  0.30432171
   0.10551891  0.30038969  0.03812085
   0.37902597  0.42375798  0.35617806
   0.54886178  0.35517370  0.21277419
   0.29821143  0.35937786  0.16573262
   0.26537003  0.07982686  0.47484723
   0.02907372  0.15209673  0.40184778
   0.06132627  0.06826474  0.58587570
   0.40950596  0.22987219  0.78320268
   0.14325846  0.30998239  0.53580415
   0.35561444  0.46864617  0.84623675
   0.41554135  0.41500372  0.64066426
   0.18193785  0.37131860  0.72024693
   0.33213538  0.18929445 -0.02770668
   0.04453218  0.16594281  0.88923209
   0.13191028  0.56188459  0.11150640
   0.37421879  0.67147744  0.27173867
   0.11892180  0.81194321  0.04234710
   0.39127982  0.92298350  0.34405556
   0.41904271  0.86825200  0.15337469
   0.17199039  0.85587239  0.23238259
   0.30838972  0.66282411  0.46090890
   0.05974130  0.61714185  0.39786822
   0.14486318  0.56650159  0.59008364
   0.33021306  0.69193932  0.77282626
   0.08306819  0.82083780  0.51424307
   0.33439126  0.98791789  0.83616116
   0.44065660  0.93483693  0.65549052
   0.19561724  0.87429050  0.68134983
   0.30746629  0.65545465 -0.02593302
   0.03799905  0.62099328  0.93061488
   0.60347704  0.05705991  0.10642434
   0.81757050  0.20489306  0.28838808
   0.59552848  0.29772282  0.02224845
   0.87370033  0.44497451  0.34388766
   0.05514699  0.35936670  0.22627017
   0.80054984  0.39334664  0.12519505
   0.79525779  0.15320372  0.48780551
   0.54534847  0.09895121  0.44127239
   0.60491864  0.12678819  0.63473754
   0.79736768  0.17687449  0.78966429
   0.61668338  0.34208377  0.53490373
   0.88561657  0.45248230  0.82267265
   0.94023372  0.39213468  0.62631521
   0.68524249  0.40107660  0.70758626
   0.80126001  0.11010869  0.98621722
   0.55870317  0.06944976  0.91255014
   0.57992708  0.55161745  0.07943219
   0.84172284  0.69314454  0.28802476
   0.61622390  0.82550088  0.03069925
   0.85380343  0.95552063  0.35964273
   0.92789943  0.88855980  0.18401375
   0.66028319  0.86084434  0.22436125
   0.81979068  0.61718812  0.47814498
   0.55401994  0.58234835  0.41013074
   0.60996982  0.60461769  0.59643780
   0.88278589  0.71036951  0.78722898
   0.61635668  0.81820305  0.46606089
   0.91292027  0.95619735  0.84311580
   0.91798483  0.88030965  0.65702505
   0.67269240  0.90755053  0.75827503
   0.78040189  0.62677657  0.96980113
   0.54067031  0.65133411  0.89864018
   0.70385329  0.89794526  0.59245401
   0.68234558  0.89426630  0.49621285
   0.93422910  0.17718115  0.13171662
   0.79929145  0.38131661  0.36414523
   0.25263440  0.12163557  0.67877069
   0.25511266  0.68231723  0.72903365
   0.05101736  1.11166468  0.15533231
   0.17573005  0.99843344 -0.04082647
   0.65076909  0.37239051  0.88160346
   0.86996516  0.45292215  0.63023504
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.727933    0.089065   -0.028167
    -0.000000    9.926826    0.014078
    -0.000000   -0.000000   13.726011
   Si   O    H 
    32    64    10
Direct configuration=   379
   0.16334654  0.14831312 -0.00985605
   0.39021067  0.07017528  0.39337776
   0.14697424  0.39697163  0.12905426
   0.39697254  0.32971220  0.25937986
   0.12759547  0.15741134  0.49641575
   0.40250627  0.12336650  0.87975780
   0.10359511  0.41337329  0.62238946
   0.34372303  0.36995790  0.74685248
   0.15389934  0.65497578  0.00940434
   0.39932992  0.58518770  0.37414789
   0.07728247  0.89035519  0.13890694
   0.34076007  0.83133174  0.25297464
   0.14774740  0.66408608  0.49599216
   0.38178155  0.62264475  0.87156494
   0.06554999  0.91530096  0.61480868
   0.30339898  0.98841276  0.71720571
   0.63620297  0.14036046  1.00655308
   0.87390833  0.11173195  0.38020405
   0.62752615  0.39796107  0.11183069
   0.90170560  0.29488953  0.20130112
   0.63675498  0.17930294  0.52935830
   0.88951733  0.10488230  0.87912808
   0.57872016  0.44814350  0.62194980
   0.75949781  0.34741996  0.80638960
   0.62595279  0.67071913 -0.00191422
   0.89920190  0.60051389  0.37302033
   0.57426125  0.89730036  0.12817762
   0.81860392  0.85301290  0.26839945
   0.65831432  0.66780622  0.48250389
   0.88381849  0.59415692  0.87942869
   0.60709580  0.96122088  0.65869801
   0.83768634  0.86375788  0.76374396
   0.10632976  0.06169198  0.11573494
   0.38605747  0.17943817  0.30293970
   0.10554776  0.30093852  0.03731614
   0.37871978  0.42386633  0.35672910
   0.55069564  0.35422031  0.21249421
   0.29834000  0.35988554  0.16607191
   0.26555071  0.08120103  0.47435653
   0.02869607  0.15324443  0.40209868
   0.06214776  0.06851934  0.58500713
   0.40984009  0.23174851  0.78335088
   0.14048888  0.30963114  0.53579350
   0.35452591  0.46791922  0.84652468
   0.41584651  0.41668126  0.64026260
   0.18124014  0.37127819  0.71891712
   0.33186185  0.19133022 -0.02843273
   0.04481275  0.16580393  0.89051702
   0.13261297  0.56133406  0.11196434
   0.37432994  0.67211717  0.27239507
   0.11974625  0.81175229  0.04142466
   0.39071365  0.92172420  0.34415422
   0.41852222  0.86880580  0.15310332
   0.17052650  0.85288828  0.23294137
   0.30747397  0.66289649  0.46181932
   0.06182922  0.61700704  0.39765992
   0.14489337  0.56521313  0.59009948
   0.33002501  0.68990307  0.77046603
   0.08380602  0.82072101  0.51391582
   0.33531115  0.98766431  0.83580647
   0.44056586  0.93653605  0.65626787
   0.19466873  0.87597333  0.68163515
   0.30651299  0.65503709 -0.02562320
   0.03913358  0.62062679  0.93007826
   0.60585040  0.05787602  0.10493253
   0.81811467  0.20511161  0.28818816
   0.59477332  0.29685782  0.02181789
   0.87398352  0.44562352  0.34444725
   0.05388018  0.36003429  0.22566018
   0.80172480  0.39314645  0.12459930
   0.79365082  0.15453867  0.48844233
   0.54502271  0.09726990  0.44223450
   0.60385161  0.12642654  0.63523732
   0.79698429  0.17667675  0.78981291
   0.61644641  0.34229293  0.53495538
   0.88427876  0.45240864  0.82364549
   0.94244309  0.39208990  0.62698683
   0.68654441  0.40138429  0.70767971
   0.80098662  0.11117862  0.98538185
   0.55814811  0.06945634  0.91198661
   0.58116179  0.55195151  0.07968992
   0.84074553  0.69137291  0.28830720
   0.61530197  0.82606368  0.02996589
   0.85330219  0.95620359  0.35883193
   0.92771141  0.88820124  0.18388379
   0.66118543  0.86068402  0.22351284
   0.81822558  0.61810847  0.47723119
   0.55511419  0.58349174  0.40990205
   0.60951581  0.60400889  0.59761427
   0.88263219  0.71192546  0.78719163
   0.61742163  0.82014303  0.46587272
   0.91357181  0.95666113  0.84365809
   0.91773750  0.87836932  0.65721752
   0.67354356  0.90868042  0.75760079
   0.78173697  0.62789258  0.97008676
   0.53875176  0.65209027  0.89767458
   0.70589570  0.89749570  0.59216682
   0.68203589  0.88914247  0.49918861
   0.92248614  0.18051878  0.13333057
   0.79999315  0.38036178  0.36529951
   0.25095185  0.11550571  0.68036391
   0.25128751  0.68048300  0.72980812
   0.04567202  1.12117469  0.15842441
   0.17885291  1.00994514 -0.03868866
   0.65467882  0.37457269  0.88319835
   0.86496414  0.46029053  0.63118646
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.724540    0.091215   -0.027851
    -0.000000    9.925312    0.010116
    -0.000000   -0.000000   13.726383
   Si   O    H 
    32    64    10
Direct configuration=   380
   0.16447359  0.14905096 -0.01034617
   0.39110434  0.07063745  0.39410881
   0.14641045  0.39611723  0.12885836
   0.39666352  0.32880012  0.25828918
   0.12849602  0.15907447  0.49677216
   0.40349472  0.12423906  0.87903925
   0.10404664  0.41417869  0.62236464
   0.34216472  0.37042398  0.74659327
   0.15336647  0.65638308  0.00962261
   0.39973491  0.58473473  0.37542205
   0.07635971  0.89021282  0.13872898
   0.34076149  0.83098923  0.25314754
   0.14796436  0.66494445  0.49641896
   0.38106668  0.62235873  0.87181858
   0.06497543  0.91498524  0.61433638
   0.30317440  0.98910212  0.71743171
   0.63590405  0.14033183  1.00568079
   0.87432474  0.11123494  0.37970543
   0.62630302  0.39719707  0.11153005
   0.90113123  0.29575996  0.20177417
   0.63778220  0.17816338  0.53005076
   0.88872857  0.10424092  0.87949036
   0.57981524  0.44863371  0.62159610
   0.75910633  0.34826540  0.80632886
   0.62765134  0.66970168 -0.00261735
   0.89988748  0.60050989  0.37316455
   0.57500933  0.89757610  0.12813138
   0.81831691  0.85300071  0.26774042
   0.65789282  0.66604208  0.48263241
   0.88311354  0.59439552  0.87907638
   0.60739060  0.96229229  0.65864582
   0.83803092  0.86268623  0.76465107
   0.10845428  0.06151248  0.11651086
   0.38491365  0.17818764  0.30216651
   0.10532183  0.30130657  0.03776492
   0.37753461  0.42430529  0.35700949
   0.55181078  0.35329905  0.21273037
   0.29860899  0.36067765  0.16604472
   0.26614846  0.08276797  0.47372455
   0.02880290  0.15427868  0.40213426
   0.06258056  0.06855984  0.58406677
   0.41002837  0.23381482  0.78395706
   0.13768799  0.30951512  0.53592916
   0.35362483  0.46733332  0.84712239
   0.41619564  0.41747565  0.64023312
   0.18068062  0.37053438  0.71832021
   0.33123873  0.19316508 -0.02928391
   0.04497356  0.16594075  0.89207801
   0.13318731  0.56101454  0.11205503
   0.37516820  0.67317275  0.27348287
   0.12055672  0.81209253  0.04007882
   0.39059155  0.92160380  0.34481753
   0.41737584  0.86879656  0.15249373
   0.16982034  0.84994021  0.23315953
   0.30735921  0.66255971  0.46250529
   0.06388681  0.61627178  0.39746003
   0.14407680  0.56387928  0.58989866
   0.32985162  0.68797940  0.76837808
   0.08498888  0.82050769  0.51422788
   0.33600144  0.98719372  0.83600791
   0.44022522  0.93888643  0.65706301
   0.19317936  0.87732615  0.68159372
   0.30628350  0.65475622 -0.02530793
   0.04005025  0.62024523  0.92982520
   0.60772743  0.05848986  0.10314505
   0.81834272  0.20479678  0.28833407
   0.59342859  0.29659875  0.02144820
   0.87452202  0.44573462  0.34469494
   0.05256606  0.36032493  0.22510598
   0.80309376  0.39299939  0.12514956
   0.79245265  0.15511029  0.48859748
   0.54371463  0.09531526  0.44318107
   0.60255126  0.12621404  0.63587745
   0.79677043  0.17651113  0.78975323
   0.61654894  0.34273060  0.53468727
   0.88230093  0.45231526  0.82450316
   0.94416353  0.39208021  0.62744582
   0.68773529  0.40200187  0.70841941
   0.80116035  0.11240900  0.98484296
   0.55759359  0.06922892  0.91085631
   0.58214219  0.55253541  0.08006330
   0.83991309  0.69046441  0.28806516
   0.61416338  0.82596464  0.02904652
   0.85318412  0.95658740  0.35810357
   0.92785014  0.88792405  0.18377926
   0.66327810  0.85987533  0.22314161
   0.81653067  0.61900512  0.47627595
   0.55561898  0.58394363  0.40897823
   0.60952746  0.60456663  0.59805205
   0.88226878  0.71189191  0.78793174
   0.61956581  0.82253607  0.46545412
   0.91377457  0.95703056  0.84416276
   0.91677979  0.87660315  0.65768646
   0.67464990  0.90977468  0.75764770
   0.78374187  0.62919240  0.97035954
   0.53780772  0.65287864  0.89661447
   0.71245711  0.89694274  0.59019479
   0.67553211  0.88558945  0.49878187
   0.91259913  0.18205367  0.13146745
   0.80811703  0.38582576  0.36364942
   0.24970423  0.11128785  0.68159831
   0.24543155  0.67740110  0.73042791
   0.03767547  1.13232105  0.16041918
   0.18286885  1.01882206 -0.03402465
   0.66028489  0.37574808  0.88512392
   0.86451455  0.45952306  0.63119015
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.721131    0.093242   -0.027903
    -0.000000    9.923913    0.006502
    -0.000000   -0.000000   13.726538
   Si   O    H 
    32    64    10
Direct configuration=   381
   0.16543389  0.15105565 -0.01076859
   0.39181748  0.07099554  0.39465169
   0.14591505  0.39512824  0.12902862
   0.39635204  0.32839623  0.25746750
   0.12969238  0.16004976  0.49726424
   0.40449606  0.12527282  0.87816112
   0.10400735  0.41507211  0.62244167
   0.34085338  0.37188914  0.74668420
   0.15281704  0.65732282  0.00954922
   0.39950955  0.58507990  0.37639869
   0.07584678  0.89041312  0.13859085
   0.34033952  0.83139528  0.25307949
   0.14886612  0.66551898  0.49638975
   0.38058762  0.62263303  0.87175365
   0.06462181  0.91399916  0.61369620
   0.30334713  0.98945546  0.71767033
   0.63583216  0.14007492  1.00488720
   0.87520998  0.11101112  0.37949174
   0.62479826  0.39620914  0.11144944
   0.90098319  0.29627114  0.20214905
   0.63828510  0.17763489  0.53006315
   0.88884295  0.10395704  0.87992357
   0.58114114  0.44886399  0.62116696
   0.75871324  0.34857482  0.80626153
   0.62961156  0.66828013 -0.00265925
   0.90132531  0.60077342  0.37340086
   0.57530229  0.89792303  0.12749826
   0.81783781  0.85331921  0.26733587
   0.65723955  0.66396174  0.48308259
   0.88380020  0.59520663  0.87871638
   0.60759299  0.96319016  0.65854837
   0.83861763  0.86196135  0.76533333
   0.11003683  0.06067047  0.11809675
   0.38355981  0.17711018  0.30239623
   0.10420971  0.30140756  0.03822043
   0.37711768  0.42498968  0.35694083
   0.55209911  0.35262172  0.21263380
   0.29880163  0.36056518  0.16563823
   0.26674247  0.08469197  0.47327379
   0.02941968  0.15505350  0.40171529
   0.06247871  0.06900063  0.58333512
   0.40996503  0.23460871  0.78393438
   0.13511169  0.30927757  0.53632236
   0.35244750  0.46648121  0.84741092
   0.41574591  0.41814918  0.64024191
   0.17977454  0.36922293  0.71815174
   0.33011287  0.19561225 -0.03002405
   0.04379178  0.16671559  0.89386075
   0.13434472  0.56067802  0.11203015
   0.37538574  0.67457651  0.27482075
   0.12134180  0.81230975  0.03881712
   0.39066474  0.92181601  0.34526014
   0.41626937  0.86830815  0.15233033
   0.16926493  0.84789222  0.23402902
   0.30726755  0.66174453  0.46296436
   0.06626436  0.61559303  0.39723496
   0.14350132  0.56308916  0.58991880
   0.33017792  0.68578035  0.76693751
   0.08599013  0.82037374  0.51522800
   0.33625440  0.98684982  0.83594966
   0.43946045  0.94085881  0.65882137
   0.19138924  0.87760779  0.68195581
   0.30586974  0.65389674 -0.02571088
   0.04133428  0.61904642  0.92929879
   0.60922150  0.05873728  0.10199654
   0.81847937  0.20461962  0.28839976
   0.59313556  0.29665086  0.02159980
   0.87566853  0.44634528  0.34382851
   0.05106076  0.36032658  0.22502441
   0.80458749  0.39274280  0.12593082
   0.79182873  0.15538888  0.48805839
   0.54179803  0.09456673  0.44459456
   0.60114400  0.12604389  0.63696509
   0.79654206  0.17668323  0.79017976
   0.61641266  0.34358195  0.53408707
   0.87987920  0.45290185  0.82566290
   0.94437530  0.39324717  0.62829280
   0.68877816  0.40223866  0.70850665
   0.80109789  0.11268074  0.98505762
   0.55700572  0.06984042  0.90907760
   0.58285283  0.55409418  0.07996301
   0.83956766  0.68997358  0.28794313
   0.61329114  0.82559714  0.02796255
   0.85358911  0.95556860  0.35779394
   0.92867302  0.88790048  0.18330817
   0.66495187  0.85960566  0.22252865
   0.81490821  0.61937023  0.47551355
   0.55683575  0.58370660  0.40842835
   0.60930617  0.60618613  0.59820559
   0.88217661  0.71163300  0.78883948
   0.62139712  0.82488745  0.46483760
   0.91401002  0.95747128  0.84437105
   0.91546799  0.87444979  0.65802178
   0.67613386  0.91012405  0.75769359
   0.78582609  0.63098624  0.97053676
   0.53744309  0.65272729  0.89508493
   0.71552128  0.89538981  0.59163943
   0.67334227  0.88889456  0.49760729
   0.90921968  0.18331052  0.12792733
   0.80488069  0.38711761  0.36657176
   0.25027732  0.11448562  0.68248022
   0.24193995  0.67637455  0.73219030
   0.03741690  1.13188026  0.15740776
   0.18785313  1.01574632 -0.03203814
   0.66624967  0.37712236  0.88442174
   0.87265244  0.45140249  0.63212439
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.717972    0.095251   -0.027511
    -0.000000    9.922779    0.002738
    -0.000000   -0.000000   13.726571
   Si   O    H 
    32    64    10
Direct configuration=   382
   0.16647210  0.15366524 -0.01097538
   0.39272781  0.07176081  0.39515260
   0.14552352  0.39412027  0.12903424
   0.39644997  0.32793925  0.25631758
   0.13031047  0.16075724  0.49787457
   0.40619558  0.12644109  0.87732627
   0.10392634  0.41580112  0.62277538
   0.33979558  0.37331535  0.74680355
   0.15167809  0.65813453  0.00957909
   0.39918033  0.58593378  0.37774271
   0.07625652  0.89006197  0.13829152
   0.33985038  0.83151175  0.25322139
   0.14957047  0.66652264  0.49654758
   0.37991770  0.62300845  0.87129683
   0.06440067  0.91311719  0.61303360
   0.30294166  0.98966176  0.71801596
   0.63572419  0.13952560  1.00458218
   0.87618662  0.11111274  0.37981330
   0.62412079  0.39602831  0.11149776
   0.90025821  0.29691323  0.20252114
   0.63833718  0.17693294  0.52947433
   0.88873169  0.10377988  0.88020876
   0.58230459  0.44866458  0.62104972
   0.75865751  0.34858442  0.80654649
   0.63129185  0.66700957 -0.00294391
   0.90328137  0.60101852  0.37396947
   0.57537422  0.89836027  0.12683571
   0.81699543  0.85350055  0.26694549
   0.65687966  0.66187358  0.48371690
   0.88459197  0.59574923  0.87834665
   0.60765676  0.96409094  0.65864196
   0.83896104  0.86127168  0.76633793
   0.11080441  0.06094172  0.11878137
   0.38213354  0.17599987  0.30276371
   0.10288729  0.30104722  0.03866451
   0.37613821  0.42595581  0.35672560
   0.55202971  0.35118070  0.21278293
   0.29858365  0.36106298  0.16558246
   0.26772573  0.08550809  0.47333887
   0.02992279  0.15604183  0.40072265
   0.06177108  0.06935751  0.58277827
   0.40985466  0.23548223  0.78371256
   0.13372924  0.30838321  0.53718941
   0.35182643  0.46609334  0.84724711
   0.41553641  0.41890256  0.63992868
   0.17916912  0.36817751  0.71824926
   0.32832645  0.19723282 -0.03075097
   0.04262465  0.16764341  0.89573109
   0.13576208  0.55938171  0.11206415
   0.37531875  0.67556627  0.27580509
   0.12222493  0.81187918  0.03811288
   0.39075565  0.92198712  0.34587562
   0.41426900  0.86869145  0.15278093
   0.16847320  0.84629222  0.23473600
   0.30670077  0.66038390  0.46266998
   0.06810146  0.61429451  0.39672285
   0.14280958  0.56299622  0.58985597
   0.33135361  0.68439748  0.76578436
   0.08650495  0.81964689  0.51616105
   0.33634818  0.98635807  0.83572804
   0.43887406  0.94176371  0.65975581
   0.18952738  0.87859381  0.68307338
   0.30587207  0.65207497 -0.02559156
   0.04242256  0.61791859  0.92842388
   0.61022635  0.05862892  0.10106458
   0.81921377  0.20403146  0.28846267
   0.59284935  0.29626574  0.02191319
   0.87783480  0.44626124  0.34285363
   0.04967994  0.36014689  0.22505139
   0.80557987  0.39239439  0.12693444
   0.79186019  0.15539898  0.48780429
   0.53937389  0.09417708  0.44628414
   0.60007655  0.12605779  0.63829959
   0.79536258  0.17742896  0.79084596
   0.61571684  0.34413578  0.53343014
   0.87788898  0.45403240  0.82794529
   0.94530725  0.39528364  0.62934335
   0.69037496  0.40188665  0.70827048
   0.80060165  0.11343357  0.98500463
   0.55658654  0.07073587  0.90787567
   0.58340310  0.55543841  0.08020082
   0.83933181  0.68887503  0.28788502
   0.61208165  0.82482113  0.02655827
   0.85370631  0.95455918  0.35758245
   0.92820752  0.88899111  0.18278340
   0.66713650  0.85956608  0.22217597
   0.81382146  0.61970793  0.47501480
   0.55879598  0.58321085  0.40739347
   0.60922192  0.60799253  0.59839212
   0.88145005  0.71029361  0.79025843
   0.62214257  0.82641179  0.46401394
   0.91488423  0.95720778  0.84447908
   0.91417121  0.87291468  0.65860570
   0.67741333  0.91022539  0.75777354
   0.78830732  0.63247568  0.97088798
   0.53652294  0.65254586  0.89396036
   0.71530069  0.89744446  0.59575103
   0.67575501  0.89707847  0.49950595
   0.91162971  0.18590934  0.12472465
   0.80167563  0.38504237  0.37047794
   0.25259861  0.12117402  0.68738263
   0.24214788  0.67427405  0.73562426
   0.04576945  1.12634638  0.15158799
   0.19198475  1.00436827 -0.02740025
   0.67116600  0.38059705  0.88771917
   0.87050578  0.45313591  0.63728103
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.715065    0.097212   -0.026940
    -0.000000    9.921119   -0.001011
    -0.000000   -0.000000   13.727171
   Si   O    H 
    32    64    10
Direct configuration=   383
   0.16714232  0.15594438 -0.01104987
   0.39347147  0.07279964  0.39560725
   0.14571463  0.39342404  0.12883355
   0.39672744  0.32833138  0.25548113
   0.13077996  0.16159003  0.49875179
   0.40840359  0.12738944  0.87617895
   0.10397658  0.41656368  0.62324124
   0.33888291  0.37480253  0.74693665
   0.14998029  0.65827493  0.00972106
   0.39835981  0.58673866  0.37901477
   0.07675387  0.88972834  0.13867800
   0.33901874  0.83187327  0.25375023
   0.15058106  0.66735889  0.49634433
   0.37944554  0.62400831  0.87120173
   0.06381891  0.91191240  0.61245454
   0.30280176  0.98942172  0.71800623
   0.63594428  0.13870058  1.00392342
   0.87672774  0.11171313  0.38002495
   0.62337376  0.39632766  0.11156699
   0.89883870  0.29731688  0.20296243
   0.63913018  0.17699982  0.52869356
   0.88888249  0.10469437  0.88048964
   0.58273642  0.44813870  0.62076055
   0.75817052  0.34784192  0.80699635
   0.63239431  0.66582014 -0.00327472
   0.90533783  0.60056064  0.37480638
   0.57552535  0.89890335  0.12624253
   0.81598169  0.85356652  0.26635644
   0.65664896  0.65981977  0.48464916
   0.88607731  0.59676129  0.87796241
   0.60751704  0.96523631  0.65897881
   0.83951486  0.86025193  0.76696258
   0.11203748  0.06096313  0.11940417
   0.38120595  0.17485267  0.30309839
   0.10172397  0.30083561  0.03912784
   0.37451046  0.42656958  0.35615309
   0.55217316  0.34979528  0.21257038
   0.29845719  0.36088409  0.16549712
   0.27045012  0.08631291  0.47353339
   0.03125814  0.15659954  0.39985589
   0.06076158  0.07023051  0.58295900
   0.40972625  0.23418353  0.78340580
   0.13271864  0.30755979  0.53790787
   0.34991656  0.46545418  0.84702473
   0.41553970  0.42022806  0.64038734
   0.17901825  0.36678525  0.71817222
   0.32704457  0.19817412 -0.03131798
   0.04191397  0.16821378  0.89738107
   0.13657016  0.55844290  0.11162875
   0.37489832  0.67671991  0.27678175
   0.12300921  0.81112574  0.03806664
   0.38985541  0.92238603  0.34664769
   0.41230490  0.86956312  0.15339592
   0.16820828  0.84429600  0.23525677
   0.30661694  0.65966053  0.46210453
   0.06959674  0.61259445  0.39622531
   0.14155233  0.56308700  0.59019191
   0.33276043  0.68279197  0.76539603
   0.08732691  0.81903394  0.51729979
   0.33623940  0.98585531  0.83495763
   0.43884988  0.94303327  0.66102622
   0.18740314  0.87891357  0.68442473
   0.30678909  0.64977305 -0.02486205
   0.04295022  0.61577679  0.92785067
   0.61102510  0.05825596  0.10078649
   0.81935919  0.20375034  0.28875798
   0.59231410  0.29598923  0.02304480
   0.87874884  0.44552437  0.34196205
   0.04907571  0.35966165  0.22510367
   0.80598550  0.39182809  0.12820093
   0.79238129  0.15558938  0.48701701
   0.53763679  0.09356097  0.44750671
   0.59955988  0.12648900  0.63933162
   0.79452109  0.17849973  0.79132429
   0.61527136  0.34468798  0.53309144
   0.87703122  0.45449541  0.83016327
   0.94630680  0.39632980  0.63065151
   0.69209758  0.40216722  0.70770702
   0.80070682  0.11406957  0.98529179
   0.55598329  0.07067170  0.90734577
   0.58400894  0.55653006  0.08075779
   0.83933041  0.68939897  0.28834518
   0.61145396  0.82355834  0.02554788
   0.85302822  0.95332665  0.35741621
   0.92804246  0.88927764  0.18238191
   0.66857361  0.85970268  0.22207254
   0.81304197  0.62038468  0.47474968
   0.56092954  0.58226737  0.40678619
   0.60865181  0.60998250  0.59795770
   0.88039174  0.70798195  0.79148039
   0.62263823  0.82672741  0.46359100
   0.91548782  0.95603995  0.84465177
   0.91386504  0.87225636  0.65899883
   0.67876143  0.90950597  0.75775802
   0.79081619  0.63367725  0.97178601
   0.53667821  0.65226405  0.89332902
   0.71469859  0.90284364  0.59763684
   0.67683941  0.89977295  0.49928326
   0.92046480  0.18914764  0.12384632
   0.80438522  0.39030914  0.37085490
   0.25407960  0.12544942  0.69219391
   0.24372329  0.67261299  0.73934578
   0.05226091  1.12271207  0.14629922
   0.19360739  0.99618306 -0.02270014
   0.67445286  0.38248044  0.89251769
   0.86439794  0.45728707  0.64226802
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.712452    0.099210   -0.026768
    -0.000000    9.919364   -0.004936
    -0.000000   -0.000000   13.727515
   Si   O    H 
    32    64    10
Direct configuration=   384
   0.16734449  0.15739729 -0.01085658
   0.39439023  0.07478585  0.39575106
   0.14573935  0.39293193  0.12880024
   0.39650891  0.32852235  0.25485009
   0.13118483  0.16203037  0.49951865
   0.40993469  0.12845046  0.87492118
   0.10400954  0.41696239  0.62380486
   0.33859180  0.37542523  0.74732197
   0.14824868  0.65844429  0.00979373
   0.39735659  0.58784240  0.37963318
   0.07758106  0.88941108  0.13891205
   0.33769362  0.83233850  0.25409671
   0.15171074  0.66809877  0.49607699
   0.37957506  0.62434454  0.87107354
   0.06296307  0.91046683  0.61183004
   0.30289108  0.98922540  0.71809267
   0.63665611  0.13748976  1.00363410
   0.87680740  0.11225056  0.38064646
   0.62276728  0.39731100  0.11237024
   0.89810489  0.29748536  0.20286052
   0.63961862  0.17719379  0.52780893
   0.88911895  0.10607097  0.88067971
   0.58299953  0.44741110  0.62009021
   0.75727710  0.34680951  0.80723019
   0.63290081  0.66409289 -0.00334149
   0.90743184  0.60042337  0.37572965
   0.57538793  0.89886949  0.12547258
   0.81564268  0.85356574  0.26629843
   0.65594344  0.65833757  0.48586808
   0.88786854  0.59807387  0.87773917
   0.60748952  0.96570089  0.65948071
   0.83987974  0.85992135  0.76686866
   0.11416500  0.05959944  0.11925290
   0.38031372  0.17484664  0.30310991
   0.10117596  0.30110894  0.03967577
   0.37309551  0.42665758  0.35519023
   0.55237623  0.34844753  0.21247644
   0.29895489  0.36082533  0.16569829
   0.27302621  0.08685859  0.47359279
   0.03265685  0.15712018  0.39916234
   0.05987955  0.07013843  0.58265205
   0.40983698  0.23318654  0.78338039
   0.13147599  0.30712019  0.53783619
   0.34854042  0.46485812  0.84642075
   0.41719997  0.42096061  0.64122403
   0.17911521  0.36563924  0.71866728
   0.32588455  0.19941765 -0.03197890
   0.04129714  0.16859919  0.89845992
   0.13723235  0.55797844  0.11098513
   0.37490605  0.67769195  0.27770114
   0.12381152  0.81153430  0.03757374
   0.38952717  0.92225150  0.34733392
   0.41130643  0.87072223  0.15381838
   0.16897631  0.84222805  0.23594632
   0.30697348  0.65926812  0.46155550
   0.07141274  0.61152645  0.39580931
   0.14077258  0.56360567  0.59037932
   0.33540900  0.68135176  0.76573633
   0.08971503  0.81818726  0.51783688
   0.33633242  0.98569715  0.83467620
   0.43957668  0.94380358  0.66206649
   0.18509332  0.87897539  0.68615401
   0.30817904  0.64688192 -0.02445088
   0.04317960  0.61401003  0.92672136
   0.61221851  0.05717152  0.10153597
   0.81939143  0.20408347  0.28951427
   0.59096818  0.29606586  0.02396624
   0.87939356  0.44393718  0.34058165
   0.04901628  0.35966318  0.22498477
   0.80509967  0.39162659  0.12945149
   0.79201853  0.15516249  0.48585894
   0.53650180  0.09366473  0.44948451
   0.60038006  0.12764390  0.64050063
   0.79392653  0.18007406  0.79213713
   0.61474553  0.34498389  0.53299487
   0.87697578  0.45435566  0.83210358
   0.94688159  0.39729272  0.63183431
   0.69264191  0.40257942  0.70643256
   0.80135524  0.11511719  0.98534730
   0.55589359  0.07127297  0.90723566
   0.58432448  0.55733109  0.08151937
   0.83935616  0.68951862  0.28886958
   0.61155818  0.82244441  0.02533338
   0.85123797  0.95181907  0.35684776
   0.92764409  0.88952091  0.18200153
   0.66979939  0.86002702  0.22201649
   0.81228880  0.62078842  0.47411410
   0.56230365  0.58156879  0.40604596
   0.60794160  0.61189081  0.59793575
   0.87800654  0.70552532  0.79263222
   0.62376639  0.82587755  0.46349198
   0.91599880  0.95501247  0.84521149
   0.91324762  0.87245951  0.65968664
   0.68003807  0.90894310  0.75826783
   0.79336917  0.63400240  0.97200921
   0.53752080  0.65266700  0.89356510
   0.71184021  0.90914712  0.59759343
   0.67413682  0.89829493  0.49384924
   0.93513331  0.19547622  0.12795407
   0.80629238  0.39413872  0.37096067
   0.25551982  0.12544012  0.69604184
   0.23980836  0.67270985  0.73869946
   0.04213092  1.12803229  0.14902079
   0.19598621  0.99614071 -0.02063200
   0.67585154  0.38188648  0.89497946
   0.86497580  0.45942276  0.64335454
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.710059    0.101043   -0.026656
    -0.000000    9.918053   -0.008631
    -0.000000   -0.000000   13.727681
   Si   O    H 
    32    64    10
Direct configuration=   385
   0.16714873  0.15812256 -0.01041105
   0.39483966  0.07637300  0.39526563
   0.14594686  0.39234733  0.12927022
   0.39676956  0.32886888  0.25388877
   0.13128382  0.16170801  0.50025391
   0.41124528  0.12879374  0.87327727
   0.10406372  0.41751308  0.62404866
   0.33882502  0.37581503  0.74718684
   0.14712332  0.65827243  0.00984249
   0.39672402  0.58876782  0.37970025
   0.07921804  0.88953112  0.13914888
   0.33622309  0.83186498  0.25451754
   0.15246473  0.66848764  0.49577586
   0.37938963  0.62453596  0.87084525
   0.06146871  0.90890304  0.61140685
   0.30236162  0.98884662  0.71807677
   0.63671445  0.13684829  1.00329754
   0.87683839  0.11313255  0.38117212
   0.62240717  0.39837449  0.11303576
   0.89785384  0.29725987  0.20277267
   0.64041577  0.17788771  0.52746831
   0.88933340  0.10690637  0.88095921
   0.58293679  0.44677709  0.61952392
   0.75650860  0.34556918  0.80734524
   0.63324577  0.66228689 -0.00362250
   0.90901555  0.59955972  0.37653650
   0.57467846  0.89936141  0.12483398
   0.81543327  0.85331619  0.26602686
   0.65480146  0.65748747  0.48722550
   0.89001669  0.59898823  0.87743773
   0.60711426  0.96606895  0.66026906
   0.84005783  0.85961848  0.76669060
   0.11542588  0.05822796  0.11948610
   0.37965956  0.17550128  0.30307734
   0.10024365  0.30100983  0.04027115
   0.37237793  0.42691220  0.35426533
   0.55266052  0.34706773  0.21277668
   0.30018642  0.36149132  0.16578257
   0.27515271  0.08821265  0.47348716
   0.03427550  0.15723967  0.39834735
   0.05918334  0.06978648  0.58226509
   0.40889026  0.23284847  0.78304230
   0.13071308  0.30731210  0.53768481
   0.34744481  0.46496713  0.84540182
   0.41842716  0.42194807  0.64234879
   0.17881795  0.36468624  0.71998080
   0.32629459  0.20047288 -0.03266011
   0.04066531  0.16798357  0.89867046
   0.13744143  0.55769895  0.10965376
   0.37633870  0.67753905  0.27896341
   0.12456750  0.81250103  0.03704051
   0.38943082  0.92215821  0.34779130
   0.41027110  0.87156642  0.15410670
   0.17002366  0.84079875  0.23696013
   0.30759618  0.65911366  0.46095855
   0.07241395  0.61053042  0.39621383
   0.14003480  0.56496785  0.59091507
   0.33745361  0.68040924  0.76573007
   0.09211951  0.81738734  0.51869096
   0.33713024  0.98605469  0.83448360
   0.44073553  0.94441894  0.66287952
   0.18309191  0.87922806  0.68755931
   0.30960378  0.64496602 -0.02336744
   0.04321447  0.61337517  0.92579270
   0.61358041  0.05585786  0.10243906
   0.81910054  0.20354329  0.29033835
   0.58906869  0.29572962  0.02421538
   0.87956166  0.44284300  0.33937616
   0.04958372  0.36035147  0.22536418
   0.80361241  0.39111461  0.13040884
   0.79142335  0.15466062  0.48476704
   0.53581816  0.09456345  0.45119443
   0.60011320  0.12928527  0.64213003
   0.79400161  0.18163780  0.79297355
   0.61383277  0.34466481  0.53297219
   0.87741728  0.45382248  0.83340438
   0.94564092  0.39835897  0.63322641
   0.69340375  0.40301732  0.70516165
   0.80218137  0.11591925  0.98470663
   0.55552155  0.07200943  0.90735591
   0.58426622  0.55868801  0.08200904
   0.83933626  0.68942957  0.28963875
   0.61101706  0.82116856  0.02485728
   0.84967569  0.95067161  0.35626694
   0.92755356  0.88993486  0.18089894
   0.67053625  0.85996445  0.22164305
   0.81218587  0.62130506  0.47364395
   0.56283471  0.58140207  0.40587332
   0.60756744  0.61434418  0.59782027
   0.87557989  0.70315456  0.79363043
   0.62477133  0.82459418  0.46339425
   0.91632928  0.95364627  0.84522967
   0.91317801  0.87248725  0.65986396
   0.68078292  0.90812329  0.75917989
   0.79577501  0.63381795  0.97239389
   0.53934568  0.65305274  0.89387643
   0.70945524  0.91742813  0.59185862
   0.67384626  0.89353322  0.48991276
   0.94772042  0.19944470  0.13403236
   0.80740846  0.39900215  0.36908703
   0.25717776  0.12163118  0.69926692
   0.24230797  0.67053327  0.73961865
   0.03513251  1.12973809  0.15145647
   0.19610081  1.00468551 -0.01670221
   0.67277090  0.37923483  0.89515290
   0.87581389  0.45923383  0.64437899
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.707915    0.103389   -0.026393
    -0.000000    9.916865   -0.012090
    -0.000000   -0.000000   13.728161
   Si   O    H 
    32    64    10
Direct configuration=   386
   0.16568247  0.15806823 -0.01006008
   0.39528199  0.07786934  0.39500860
   0.14592941  0.39261911  0.12938253
   0.39741464  0.32890234  0.25341464
   0.13163933  0.16083232  0.50103316
   0.41278250  0.12897024  0.87168975
   0.10382737  0.41768825  0.62388346
   0.33901560  0.37580932  0.74713656
   0.14545643  0.65763365  0.01001188
   0.39638907  0.58931844  0.37934915
   0.08155115  0.88948588  0.13970290
   0.33470714  0.83148445  0.25450894
   0.15296534  0.66814822  0.49563874
   0.37969196  0.62399772  0.87023466
   0.05962324  0.90734752  0.61097099
   0.30191007  0.98822377  0.71796542
   0.63677397  0.13571992  1.00322340
   0.87621091  0.11436018  0.38210725
   0.62287135  0.39995133  0.11388312
   0.89764602  0.29713797  0.20267579
   0.64063014  0.17898318  0.52756993
   0.88992504  0.10755846  0.88114808
   0.58296150  0.44611337  0.61916334
   0.75624970  0.34455206  0.80748530
   0.63365793  0.66085044 -0.00411212
   0.91016263  0.59864452  0.37698993
   0.57429437  0.90040591  0.12464192
   0.81562446  0.85293577  0.26577180
   0.65381167  0.65685487  0.48842613
   0.89169547  0.59967312  0.87750595
   0.60684810  0.96637740  0.66112227
   0.83998575  0.85889313  0.76678142
   0.11640678  0.05728465  0.12035157
   0.37889718  0.17663454  0.30296490
   0.09939359  0.30046878  0.04073077
   0.37143341  0.42669896  0.35390492
   0.55344011  0.34628061  0.21270707
   0.30077199  0.36275676  0.16556536
   0.27782025  0.09040199  0.47331409
   0.03704543  0.15737073  0.39794682
   0.05802846  0.06938051  0.58168900
   0.40806739  0.23238478  0.78205562
   0.13001307  0.30832010  0.53683724
   0.34754339  0.46531681  0.84415945
   0.41885837  0.42323956  0.64379009
   0.17879388  0.36365679  0.72196031
   0.32671739  0.20172325 -0.03353912
   0.03978189  0.16730202  0.89893125
   0.13813205  0.55802702  0.10813075
   0.37720051  0.67659635  0.28063855
   0.12425299  0.81433824  0.03670964
   0.38920026  0.92199160  0.34824852
   0.40872477  0.87263679  0.15435050
   0.17006461  0.83924886  0.23705549
   0.30799155  0.65947843  0.46065034
   0.07342716  0.60953431  0.39680105
   0.13944869  0.56781319  0.59067052
   0.33814990  0.68011544  0.76597471
   0.09493809  0.81601257  0.51928580
   0.33853824  0.98611728  0.83414504
   0.44205397  0.94416253  0.66346225
   0.18138386  0.87979485  0.68853010
   0.30996382  0.64323538 -0.02236359
   0.04358057  0.61336245  0.92476703
   0.61406837  0.05444254  0.10368995
   0.81848804  0.20390764  0.29109000
   0.58736854  0.29498695  0.02466094
   0.88013502  0.44242562  0.33854338
   0.04995743  0.36109927  0.22555924
   0.80074265  0.39124254  0.13140270
   0.79138551  0.15339882  0.48300511
   0.53592507  0.09560411  0.45285931
   0.60009792  0.13064599  0.64331110
   0.79450231  0.18271679  0.79412955
   0.61315438  0.34279091  0.53328380
   0.87775750  0.45267797  0.83485259
   0.94469241  0.39897445  0.63434994
   0.69423479  0.40321687  0.70397804
   0.80261493  0.11655224  0.98432769
   0.55563433  0.07303700  0.90743755
   0.58434951  0.55976406  0.08225699
   0.83893445  0.68950608  0.29076276
   0.61032548  0.81936375  0.02468356
   0.84771890  0.94899390  0.35689865
   0.92719866  0.89047068  0.18007780
   0.67016221  0.86083107  0.22132740
   0.81305917  0.62209289  0.47348656
   0.56304754  0.58220161  0.40605088
   0.60712239  0.61663983  0.59759050
   0.87231995  0.70173812  0.79449218
   0.62522516  0.82230894  0.46313739
   0.91698004  0.95230340  0.84569695
   0.91239583  0.87291865  0.65971507
   0.68231299  0.90789680  0.76009260
   0.79760236  0.63338979  0.97292910
   0.54170447  0.65318193  0.89414308
   0.70725134  0.92494113  0.58481064
   0.68189469  0.89574125  0.49116688
   0.95489280  0.19729325  0.13702320
   0.79841667  0.39846385  0.36914672
   0.25755817  0.12391753  0.70156470
   0.24560030  0.66715556  0.74128712
   0.03496969  1.12011478  0.15376529
   0.19455114  1.01919750 -0.01280900
   0.66837882  0.37640538  0.89200871
   0.87730634  0.46623512  0.64801553
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.705839    0.105472   -0.026545
    -0.000000    9.915201   -0.015772
    -0.000000   -0.000000   13.728702
   Si   O    H 
    32    64    10
Direct configuration=   387
   0.16424867  0.15829664 -0.00974458
   0.39570385  0.07933525  0.39440658
   0.14557188  0.39251313  0.12966957
   0.39836212  0.32883448  0.25280935
   0.13186158  0.16003979  0.50104255
   0.41282721  0.12901990  0.87024773
   0.10400462  0.41764807  0.62390515
   0.33888962  0.37576589  0.74738760
   0.14407067  0.65639395  0.01018039
   0.39582201  0.58940755  0.37868499
   0.08431637  0.88965084  0.14062073
   0.33385605  0.83025030  0.25440462
   0.15279424  0.66751646  0.49525709
   0.38067531  0.62309045  0.87055906
   0.05796042  0.90697541  0.61020419
   0.30056352  0.98803568  0.71790511
   0.63687144  0.13428640  1.00288388
   0.87616723  0.11533963  0.38330244
   0.62377261  0.40099150  0.11438228
   0.89704804  0.29701317  0.20272677
   0.64101495  0.18002107  0.52761941
   0.89031232  0.10863497  0.88082979
   0.58327837  0.44574798  0.61889864
   0.75641402  0.34382862  0.80755736
   0.63434310  0.65911102 -0.00481673
   0.91131663  0.59797981  0.37751511
   0.57385406  0.90117335  0.12449390
   0.81561814  0.85155329  0.26505288
   0.65281816  0.65671923  0.48923228
   0.89361694  0.60027550  0.87760923
   0.60699408  0.96753211  0.66224158
   0.83961764  0.85775981  0.76683362
   0.11710665  0.05718535  0.12179653
   0.37810335  0.17774955  0.30267269
   0.09879558  0.29920722  0.04133696
   0.37033200  0.42740172  0.35326249
   0.55438138  0.34617627  0.21226310
   0.30240058  0.36395377  0.16531184
   0.28079773  0.09254068  0.47386324
   0.03989586  0.15729361  0.39805524
   0.05564674  0.06942975  0.58105918
   0.40708057  0.23297194  0.78091864
   0.12929674  0.30923762  0.53591880
   0.34752944  0.46548275  0.84365340
   0.41935831  0.42462077  0.64573461
   0.17875429  0.36249746  0.72400129
   0.32745829  0.20292602 -0.03504886
   0.03967819  0.16660720  0.89881120
   0.13835679  0.55789617  0.10647703
   0.37804724  0.67636335  0.28244098
   0.12324568  0.81606731  0.03622592
   0.38892554  0.92170355  0.34835632
   0.40724999  0.87387136  0.15350481
   0.17061988  0.83845466  0.23682031
   0.30848963  0.66050674  0.46101015
   0.07446371  0.60979372  0.39768512
   0.13898943  0.57083724  0.59028907
   0.33850414  0.68104361  0.76640289
   0.09794655  0.81378174  0.51969200
   0.34011869  0.98671657  0.83300120
   0.44374104  0.94425418  0.66410389
   0.17971736  0.88024876  0.68913808
   0.31027850  0.64151607 -0.02139077
   0.04457887  0.61336718  0.92287550
   0.61472763  0.05325527  0.10488197
   0.81746203  0.20489400  0.29143845
   0.58587320  0.29422411  0.02537512
   0.87997766  0.44242522  0.33738163
   0.04989432  0.36219459  0.22555805
   0.79825221  0.39091178  0.13267136
   0.79088949  0.15188981  0.48148941
   0.53666952  0.09645524  0.45416943
   0.60106829  0.13212869  0.64457183
   0.79481262  0.18432601  0.79499416
   0.61229832  0.34182463  0.53294596
   0.87887155  0.45081469  0.83671291
   0.94349378  0.39967131  0.63523699
   0.69516811  0.40327668  0.70233094
   0.80278443  0.11715410  0.98373413
   0.55620623  0.07321219  0.90808909
   0.58413324  0.56096461  0.08236785
   0.83945241  0.69033946  0.29148037
   0.60962277  0.81733706  0.02431184
   0.84613015  0.94861095  0.35770302
   0.92654226  0.89026551  0.17898416
   0.66859377  0.86122336  0.22010599
   0.81367760  0.62227248  0.47384209
   0.56306405  0.58249950  0.40642924
   0.60666373  0.61894044  0.59753476
   0.87009549  0.70083347  0.79435908
   0.62587908  0.81947714  0.46258017
   0.91688424  0.95081248  0.84609401
   0.91143811  0.87311312  0.65924646
   0.68296681  0.90718132  0.76067085
   0.79781373  0.63377386  0.97253581
   0.54397689  0.65292343  0.89471495
   0.70544232  0.93457183  0.57845353
   0.68578593  0.89476288  0.49071447
   0.95769866  0.19251208  0.13844213
   0.79171512  0.39736164  0.36733373
   0.25619910  0.12398959  0.69982915
   0.25085619  0.66510982  0.74147949
   0.03917528  1.10232722  0.15449562
   0.19666841  1.02498746 -0.01230624
   0.66335052  0.37183243  0.88755153
   0.87555345  0.47476173  0.65520665
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.703391    0.107632   -0.026884
    -0.000000    9.913796   -0.018995
    -0.000000   -0.000000   13.729723
   Si   O    H 
    32    64    10
Direct configuration=   388
   0.16288751  0.15882805 -0.00955498
   0.39620286  0.08076441  0.39359428
   0.14526687  0.39274091  0.12986971
   0.39928752  0.32899847  0.25245826
   0.13166727  0.15896416  0.50091622
   0.41257838  0.12898402  0.86894353
   0.10378309  0.41733559  0.62385268
   0.33926673  0.37551310  0.74756541
   0.14321859  0.65511015  0.01054095
   0.39587872  0.58897901  0.37794706
   0.08647181  0.88975628  0.14125380
   0.33328493  0.82974686  0.25427892
   0.15300791  0.66629402  0.49506585
   0.38195395  0.62195332  0.87092872
   0.05633435  0.90734914  0.60954806
   0.29886916  0.98735574  0.71764936
   0.63737121  0.13312090  1.00269597
   0.87643739  0.11564611  0.38406834
   0.62469681  0.40144967  0.11423150
   0.89600254  0.29703001  0.20279392
   0.64111584  0.18095758  0.52787324
   0.89018626  0.10956688  0.88113079
   0.58344457  0.44582263  0.61893657
   0.75686333  0.34327355  0.80810756
   0.63528957  0.65789054 -0.00544749
   0.91235732  0.59689905  0.37819054
   0.57374661  0.90140243  0.12459526
   0.81561309  0.85017735  0.26469087
   0.65191628  0.65641817  0.49033714
   0.89532713  0.60049273  0.87760001
   0.60712325  0.96875709  0.66310957
   0.83926027  0.85634452  0.76661358
   0.11843388  0.05787855  0.12292959
   0.37774721  0.17827869  0.30193734
   0.09865801  0.29785767  0.04171525
   0.36960177  0.42694522  0.35204871
   0.55483839  0.34542057  0.21146652
   0.30418232  0.36496122  0.16492009
   0.28302924  0.09577109  0.47493678
   0.04219610  0.15668847  0.39804230
   0.05348377  0.06866888  0.58066554
   0.40662879  0.23419883  0.77987192
   0.12885221  0.31083056  0.53558957
   0.34643933  0.46511005  0.84357829
   0.41979676  0.42561919  0.64743663
   0.17896614  0.36141309  0.72597936
   0.32840930  0.20395087 -0.03635406
   0.03974876  0.16632926  0.89928424
   0.13881330  0.55767724  0.10522796
   0.37928896  0.67606940  0.28357598
   0.12232556  0.81751418  0.03637215
   0.38803701  0.92092414  0.34808918
   0.40628998  0.87578798  0.15309894
   0.17039454  0.83902385  0.23644933
   0.30928392  0.66130886  0.46224635
   0.07486083  0.61033862  0.39843176
   0.13895322  0.57305019  0.59018086
   0.33888287  0.68255023  0.76715564
   0.10100897  0.81210250  0.52016956
   0.34100951  0.98842625  0.83084347
   0.44535563  0.94353993  0.66464727
   0.17803498  0.88098279  0.68933131
   0.30936190  0.63976195 -0.02077879
   0.04536121  0.61333271  0.92134991
   0.61450161  0.05226100  0.10597659
   0.81693222  0.20594851  0.29166603
   0.58460372  0.29374601  0.02624048
   0.87968131  0.44242894  0.33672631
   0.05077166  0.36337415  0.22527432
   0.79488113  0.39084263  0.13378205
   0.78995756  0.15127042  0.48025181
   0.53776557  0.09745692  0.45549951
   0.60341367  0.13382481  0.64530816
   0.79519639  0.18538880  0.79593756
   0.61157445  0.34148427  0.53228640
   0.87964873  0.44883018  0.83810236
   0.94133317  0.40030170  0.63705456
   0.69529774  0.40365131  0.70139738
   0.80300116  0.11702372  0.98303950
   0.55715286  0.07297594  0.90941151
   0.58345043  0.56243335  0.08252830
   0.83988249  0.69162289  0.29202487
   0.60905859  0.81506198  0.02404547
   0.84431244  0.94926854  0.35821816
   0.92630485  0.89037310  0.17764742
   0.66593737  0.86068640  0.21885874
   0.81507428  0.62196490  0.47393326
   0.56223910  0.58353513  0.40667788
   0.60585513  0.62102578  0.59816503
   0.86776939  0.69998528  0.79345071
   0.62670458  0.81794355  0.46157638
   0.91613883  0.94889766  0.84714413
   0.91048089  0.87362845  0.65853875
   0.68370075  0.90726141  0.76122420
   0.79749126  0.63349513  0.97237320
   0.54697994  0.65191123  0.89594695
   0.70099115  0.94219707  0.57655536
   0.68755825  0.88418732  0.48889272
   0.95211604  0.19206969  0.13988334
   0.79560778  0.40258687  0.36245751
   0.25050569  0.12335798  0.69656924
   0.25073191  0.65967075  0.73936346
   0.03804358  1.08941455  0.15982018
   0.20321444  1.01941870 -0.01322766
   0.65212032  0.36528571  0.88386088
   0.87929738  0.47580895  0.66043205
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.701173    0.109942   -0.027829
    -0.000000    9.912479   -0.022052
    -0.000000   -0.000000   13.730642
   Si   O    H 
    32    64    10
Direct configuration=   389
   0.16154405  0.15952010 -0.00918626
   0.39698748  0.08169625  0.39220971
   0.14450939  0.39370534  0.13031776
   0.40016147  0.32913943  0.25282331
   0.13215436  0.15785139  0.50055728
   0.41225766  0.12893516  0.86756586
   0.10308920  0.41747118  0.62386067
   0.34005328  0.37499707  0.74803457
   0.14234143  0.65357999  0.01075394
   0.39601588  0.58810987  0.37703174
   0.08769363  0.88978116  0.14155593
   0.33324196  0.82974041  0.25444339
   0.15317332  0.66469496  0.49453464
   0.38275911  0.62114194  0.87147533
   0.05488112  0.90838327  0.60866411
   0.29728881  0.98677115  0.71702581
   0.63756087  0.13298801  1.00304149
   0.87673879  0.11623490  0.38465515
   0.62599706  0.40238573  0.11419979
   0.89516296  0.29783510  0.20326381
   0.64112092  0.18136148  0.52831723
   0.89015501  0.11030878  0.88110994
   0.58296200  0.44565636  0.61918039
   0.75698833  0.34382569  0.80844560
   0.63610714  0.65657416 -0.00616493
   0.91305763  0.59565624  0.37866675
   0.57434823  0.90100998  0.12432102
   0.81580988  0.84894114  0.26484938
   0.65159913  0.65607494  0.49094433
   0.89683227  0.60010428  0.87817067
   0.60733403  0.96964784  0.66355319
   0.83914791  0.85577408  0.76630756
   0.11919306  0.05783007  0.12386516
   0.37672280  0.17904669  0.30093686
   0.09784667  0.29691597  0.04184037
   0.36837487  0.42612102  0.35089624
   0.55539570  0.34484561  0.21150228
   0.30606280  0.36555698  0.16461985
   0.28523618  0.09857492  0.47644826
   0.04442093  0.15545396  0.39778013
   0.05218513  0.06690702  0.58012236
   0.40645799  0.23469781  0.77841712
   0.12889485  0.31281382  0.53528092
   0.34569240  0.46539714  0.84398449
   0.42008840  0.42636780  0.64883156
   0.17830404  0.36098024  0.72812454
   0.32955861  0.20468232 -0.03801340
   0.03950354  0.16550897  0.89979677
   0.14027068  0.55755300  0.10461445
   0.37959750  0.67592999  0.28436923
   0.12132445  0.81788389  0.03643845
   0.38764519  0.92111546  0.34796958
   0.40614307  0.87761655  0.15272321
   0.17060237  0.83931824  0.23594962
   0.31011624  0.66223862  0.46355840
   0.07469133  0.61133804  0.39891252
   0.13972180  0.57501938  0.59061596
   0.33887920  0.68424064  0.76801337
   0.10292213  0.81181698  0.52077367
   0.34192080  0.99062085  0.82852821
   0.44666093  0.94235786  0.66588824
   0.17548367  0.88214186  0.68981454
   0.30775864  0.63795750 -0.02080523
   0.04626666  0.61248226  0.91958020
   0.61452136  0.05127493  0.10655017
   0.81736705  0.20710882  0.29250564
   0.58394175  0.29480032  0.02677564
   0.87911182  0.44192860  0.33618825
   0.05091657  0.36433507  0.22489413
   0.79153221  0.39076896  0.13512720
   0.78901164  0.15078500  0.47930157
   0.53905158  0.09944979  0.45695350
   0.60612988  0.13542929  0.64557112
   0.79618230  0.18700410  0.79679672
   0.61049126  0.34162598  0.53125279
   0.88082086  0.44676305  0.84012089
   0.93742562  0.40092843  0.63909348
   0.69555591  0.40293805  0.70095575
   0.80224062  0.11750489  0.98248183
   0.55812718  0.07228152  0.91063664
   0.58262727  0.56348496  0.08342414
   0.83982649  0.69327200  0.29229329
   0.60890630  0.81229719  0.02351769
   0.84333916  0.94980689  0.35893576
   0.92620618  0.88980024  0.17578593
   0.66305787  0.86011996  0.21784808
   0.81690108  0.62181269  0.47443872
   0.56063186  0.58483736  0.40635728
   0.60499321  0.62293158  0.59853386
   0.86569666  0.69923798  0.79248303
   0.62741743  0.81566149  0.46034738
   0.91546663  0.94683626  0.84789174
   0.90945865  0.87391306  0.65833225
   0.68351685  0.90834609  0.76102836
   0.79728121  0.63328026  0.97230021
   0.54962127  0.65082924  0.89667471
   0.69264149  0.94976111  0.57726702
   0.68880817  0.87727435  0.49008779
   0.94102920  0.18897236  0.14172621
   0.80088217  0.41271999  0.35640357
   0.24504258  0.12192649  0.69181254
   0.25006501  0.65638863  0.73782898
   0.03159595  1.08892902  0.16521893
   0.21031730  1.00906114 -0.01829398
   0.63974219  0.35509396  0.88113041
   0.88739558  0.47300696  0.66321988
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.699218    0.111593   -0.028908
    -0.000000    9.911567   -0.024836
    -0.000000   -0.000000   13.731718
   Si   O    H 
    32    64    10
Direct configuration=   390
   0.16016714  0.15955476 -0.00920428
   0.39777678  0.08150662  0.39074217
   0.14420857  0.39470965  0.13083116
   0.40088758  0.32967361  0.25314868
   0.13268940  0.15720193  0.49988235
   0.41221832  0.12901733  0.86630010
   0.10227675  0.41829797  0.62426963
   0.34120974  0.37516287  0.74818894
   0.14153944  0.65223504  0.01064812
   0.39608433  0.58710533  0.37642796
   0.08854157  0.89015697  0.14171340
   0.33434623  0.82981261  0.25460433
   0.15326349  0.66289130  0.49453259
   0.38403328  0.62056208  0.87192318
   0.05382299  0.90921890  0.60790081
   0.29574039  0.98635698  0.71653413
   0.63719036  0.13332594  1.00318355
   0.87762124  0.11637224  0.38435667
   0.62639282  0.40325606  0.11399099
   0.89449558  0.29831440  0.20382535
   0.64099888  0.18222918  0.52892385
   0.89054541  0.11065889  0.88102470
   0.58294145  0.44588890  0.61931220
   0.75683769  0.34503440  0.80860720
   0.63653004  0.65561397 -0.00704151
   0.91408184  0.59402298  0.37891008
   0.57461836  0.90088672  0.12387345
   0.81633624  0.84755685  0.26437693
   0.65146676  0.65624263  0.49127274
   0.89796478  0.59959758  0.87882029
   0.60743912  0.97052011  0.66402425
   0.83925302  0.85494257  0.76619100
   0.11904407  0.05709846  0.12461868
   0.37562042  0.17983125  0.30017141
   0.09738933  0.29683363  0.04150724
   0.36702194  0.42540811  0.34987093
   0.55503046  0.34363220  0.21161808
   0.30753457  0.36603952  0.16417096
   0.28757798  0.10060502  0.47804112
   0.04624675  0.15438989  0.39767189
   0.05098711  0.06546714  0.57988939
   0.40799241  0.23486607  0.77717824
   0.12915666  0.31568183  0.53456087
   0.34477165  0.46580584  0.84446348
   0.41981475  0.42711398  0.64991762
   0.17693253  0.35990100  0.72928014
   0.33056873  0.20515765 -0.04033725
   0.04043721  0.16512968  0.90016086
   0.14146926  0.55804558  0.10310727
   0.37974726  0.67716762  0.28462825
   0.12026259  0.81842058  0.03703587
   0.38707787  0.92145289  0.34766814
   0.40662376  0.87918831  0.15234711
   0.17014629  0.83987400  0.23540886
   0.31218713  0.66234904  0.46474375
   0.07407842  0.61247727  0.39895716
   0.13990030  0.57727543  0.59165262
   0.33888816  0.68583697  0.76887851
   0.10384709  0.81183360  0.52098361
   0.34351269  0.99241399  0.82693367
   0.44730985  0.94117486  0.66739518
   0.17276032  0.88207013  0.69022685
   0.30600230  0.63654334 -0.02145068
   0.04792796  0.61202367  0.91804779
   0.61439381  0.05052728  0.10661693
   0.81793464  0.20702773  0.29336871
   0.58390084  0.29523258  0.02710654
   0.87993959  0.44195686  0.33532253
   0.05021517  0.36476775  0.22470413
   0.78873090  0.39051719  0.13675440
   0.78853970  0.15015149  0.47763207
   0.53989661  0.10163683  0.45821950
   0.60881553  0.13719988  0.64501708
   0.79804924  0.18830248  0.79697923
   0.60951064  0.34059491  0.53045793
   0.88131854  0.44424750  0.84158089
   0.93528804  0.40182870  0.64042713
   0.69602780  0.40226009  0.70136708
   0.80188336  0.11715278  0.98118437
   0.55875453  0.07198135  0.91148514
   0.58137840  0.56381019  0.08455048
   0.84068692  0.69377307  0.29313403
   0.60902948  0.80970383  0.02345267
   0.84198821  0.95036203  0.35981516
   0.92612257  0.88899526  0.17441467
   0.66148373  0.85960170  0.21735725
   0.81775605  0.62195383  0.47556802
   0.55880013  0.58663265  0.40637880
   0.60433549  0.62330295  0.59879825
   0.86329752  0.69820331  0.79149479
   0.62807175  0.81363161  0.45894638
   0.91504226  0.94557636  0.84838713
   0.90877072  0.87489648  0.65807287
   0.68243966  0.90954828  0.76097398
   0.79672299  0.63206607  0.97272703
   0.55088266  0.65002263  0.89661461
   0.68424553  0.95274374  0.57963901
   0.69610867  0.87475773  0.49140587
   0.93109361  0.17972201  0.14211993
   0.78377850  0.41201526  0.35593696
   0.24097191  0.11866128  0.68658099
   0.25605023  0.65519901  0.73927152
   0.03487983  1.09282930  0.16777122
   0.21865449  1.00370460 -0.02085362
   0.63129248  0.34849357  0.87506307
   0.89097776  0.47575395  0.67101831
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.697836    0.113346   -0.030061
    -0.000000    9.910588   -0.027954
    -0.000000   -0.000000   13.733451
   Si   O    H 
    32    64    10
Direct configuration=   391
   0.15939718  0.15954956 -0.00932100
   0.39956183  0.08072026  0.38972466
   0.14493051  0.39562488  0.13095904
   0.40139684  0.33083329  0.25374213
   0.13277668  0.15715447  0.49926067
   0.41226521  0.12926541  0.86550638
   0.10231545  0.42000817  0.62491788
   0.34221267  0.37536158  0.74819140
   0.14109315  0.65100632  0.01107633
   0.39630614  0.58611958  0.37609120
   0.08928463  0.89036465  0.14179604
   0.33564474  0.83027421  0.25465901
   0.15365591  0.66090059  0.49439800
   0.38520531  0.61978876  0.87201597
   0.05289298  0.91033060  0.60750185
   0.29444594  0.98578054  0.71587931
   0.63695881  0.13309971  1.00372440
   0.87889622  0.11565525  0.38391164
   0.62718875  0.40398317  0.11396528
   0.89433149  0.29849957  0.20481461
   0.64143514  0.18344492  0.52995974
   0.89086859  0.11082245  0.88094075
   0.58258985  0.44605004  0.61940087
   0.75633738  0.34655376  0.80847220
   0.63665809  0.65452545 -0.00777487
   0.91423622  0.59240466  0.37887297
   0.57427436  0.90013361  0.12328173
   0.81693589  0.84622514  0.26365923
   0.65140639  0.65771325  0.49165502
   0.89852442  0.59869001  0.87985457
   0.60740958  0.97152939  0.66455718
   0.83900509  0.85413784  0.76629128
   0.11886023  0.05669624  0.12516849
   0.37508333  0.18006156  0.29920508
   0.09694945  0.29690067  0.04112210
   0.36486954  0.42458657  0.34868289
   0.55449650  0.34331060  0.21193887
   0.30789026  0.36682770  0.16365533
   0.28957876  0.10281589  0.47961624
   0.04754933  0.15375423  0.39752641
   0.04974560  0.06413074  0.57934553
   0.40987866  0.23454172  0.77562867
   0.12921554  0.31853751  0.53368307
   0.34486193  0.46643704  0.84496006
   0.42011991  0.42819170  0.65123299
   0.17556559  0.35919422  0.72976018
   0.33123354  0.20574604 -0.04194147
   0.04175018  0.16481225  0.89967509
   0.14137743  0.55817649  0.10156302
   0.37882236  0.67859505  0.28410432
   0.11967228  0.81819579  0.03700082
   0.38655956  0.92140971  0.34703750
   0.40709751  0.88111917  0.15214058
   0.17027234  0.84000936  0.23462623
   0.31496482  0.66259014  0.46588793
   0.07250284  0.61360733  0.39849875
   0.13981770  0.57888192  0.59346848
   0.33889605  0.68813734  0.76982631
   0.10459967  0.81247374  0.52090824
   0.34480128  0.99364475  0.82473828
   0.44707349  0.94088714  0.66869009
   0.17011772  0.88152313  0.69067984
   0.30435032  0.63585192 -0.02223727
   0.04996916  0.61160385  0.91679631
   0.61402101  0.05033738  0.10651929
   0.81906669  0.20704609  0.29443073
   0.58477222  0.29550140  0.02737272
   0.88036231  0.44191915  0.33544063
   0.04963189  0.36528369  0.22380055
   0.78704869  0.39085794  0.13833131
   0.78882255  0.14999307  0.47622270
   0.54081334  0.10294851  0.45883642
   0.61075046  0.13874525  0.64428448
   0.80032161  0.18940563  0.79695017
   0.60822926  0.33987761  0.52948908
   0.88077788  0.44084055  0.84278212
   0.93447299  0.40220476  0.64140214
   0.69659183  0.40161802  0.70178139
   0.80083324  0.11727829  0.97977920
   0.55912388  0.07161479  0.91197373
   0.58107126  0.56247008  0.08517520
   0.84206532  0.69414257  0.29446382
   0.60899946  0.80842810  0.02334365
   0.84129662  0.95091708  0.36002313
   0.92591675  0.88705860  0.17274360
   0.65983830  0.85903298  0.21653559
   0.81900012  0.62201798  0.47662631
   0.55753125  0.58822771  0.40634730
   0.60278720  0.62222601  0.59992921
   0.86178000  0.69748035  0.79046734
   0.62881784  0.81158207  0.45763960
   0.91460913  0.94515153  0.84883951
   0.90809947  0.87515548  0.65790807
   0.68092903  0.91045110  0.76125656
   0.79656359  0.63063811  0.97250479
   0.55121273  0.64873260  0.89657280
   0.68106626  0.95199302  0.58015060
   0.70064393  0.87079336  0.49178842
   0.92291865  0.17514414  0.14148608
   0.77759076  0.41363254  0.35236696
   0.23828248  0.11254045  0.68256111
   0.25746360  0.65153609  0.73866891
   0.04241706  1.09425884  0.16681385
   0.22053554  1.00189666 -0.01938427
   0.62661163  0.34475659  0.86533636
   0.89275165  0.48404146  0.68130547
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.696762    0.115635   -0.031174
    -0.000000    9.909566   -0.031608
    -0.000000   -0.000000   13.735477
   Si   O    H 
    32    64    10
Direct configuration=   392
   0.15999898  0.15926974 -0.00966443
   0.40198896  0.07980821  0.38908600
   0.14565575  0.39613475  0.13086955
   0.40135117  0.33212064  0.25420086
   0.13321627  0.15742064  0.49853779
   0.41224550  0.12984550  0.86532408
   0.10222157  0.42172504  0.62584113
   0.34310239  0.37552189  0.74860820
   0.14008239  0.65058091  0.01122245
   0.39693199  0.58534424  0.37557399
   0.08925039  0.89045505  0.14169785
   0.33694197  0.83029640  0.25414212
   0.15366968  0.65901207  0.49420125
   0.38585779  0.61887228  0.87202092
   0.05202065  0.91152019  0.60728730
   0.29352273  0.98538627  0.71477772
   0.63674032  0.13366136  1.00390898
   0.88008695  0.11478334  0.38358214
   0.62765569  0.40439300  0.11358389
   0.89415109  0.29847639  0.20609897
   0.64171826  0.18474550  0.53098901
   0.89076713  0.11040212  0.88151319
   0.58207636  0.44652846  0.61963075
   0.75517284  0.34751317  0.80743752
   0.63660345  0.65332204 -0.00794918
   0.91364578  0.59081369  0.37859480
   0.57408002  0.89940664  0.12258653
   0.81731619  0.84476840  0.26293962
   0.65135204  0.65909226  0.49221603
   0.89881328  0.59799190  0.88093959
   0.60742523  0.97278092  0.66512294
   0.83817143  0.85320207  0.76651990
   0.11840220  0.05611635  0.12603050
   0.37427082  0.17987128  0.29832643
   0.09572884  0.29734399  0.04133229
   0.36326680  0.42402267  0.34782181
   0.55411034  0.34276420  0.21280588
   0.30738929  0.36790932  0.16339276
   0.29035589  0.10422095  0.48116570
   0.04782857  0.15289419  0.39731537
   0.04862635  0.06321672  0.57840507
   0.41159124  0.23389117  0.77392889
   0.12978863  0.32066333  0.53309028
   0.34557998  0.46608505  0.84574975
   0.42135501  0.42922398  0.65256297
   0.17356758  0.35869157  0.72998523
   0.33240786  0.20756276 -0.04406020
   0.04374737  0.16450570  0.89910317
   0.14028754  0.55765149  0.10025118
   0.37763058  0.67977633  0.28305606
   0.11919113  0.81846707  0.03673014
   0.38631642  0.92141430  0.34703620
   0.40779162  0.88337754  0.15162133
   0.17045286  0.84018177  0.23376243
   0.31708263  0.66221328  0.46736137
   0.07149482  0.61459623  0.39799707
   0.14011005  0.57918819  0.59594835
   0.33856624  0.69073206  0.77084177
   0.10538244  0.81411615  0.52076822
   0.34535163  0.99552059  0.82360510
   0.44561308  0.94008555  0.66950587
   0.16720538  0.88017844  0.69118884
   0.30266093  0.63560891 -0.02350643
   0.05200687  0.61173049  0.91553043
   0.61400458  0.05129645  0.10617229
   0.82001072  0.20762605  0.29575463
   0.58559520  0.29580128  0.02696442
   0.88030540  0.44252126  0.33571423
   0.04907637  0.36582336  0.22280298
   0.78582613  0.39020216  0.13923801
   0.78902136  0.14988315  0.47522065
   0.54058918  0.10352875  0.45867544
   0.61231532  0.14035191  0.64388211
   0.80369899  0.19010367  0.79714211
   0.60653627  0.33959847  0.52863621
   0.88056609  0.43904583  0.84422469
   0.93386213  0.40338356  0.64244064
   0.69693970  0.40101641  0.70206724
   0.79965039  0.11778373  0.97791848
   0.55970447  0.07112190  0.91231654
   0.58128088  0.56079543  0.08559664
   0.84490546  0.69486976  0.29574620
   0.60843349  0.80792604  0.02388432
   0.84117947  0.95242316  0.36060648
   0.92688599  0.88519116  0.17107815
   0.65842193  0.85813874  0.21620937
   0.82041821  0.62130045  0.47756972
   0.55689160  0.58919169  0.40665723
   0.60153630  0.62042918  0.60090052
   0.86002435  0.69619996  0.78922503
   0.63012121  0.81013971  0.45645711
   0.91440823  0.94464521  0.84987954
   0.90583836  0.87498096  0.65804556
   0.67880306  0.91102034  0.76137738
   0.79608492  0.62889060  0.97249704
   0.55069259  0.64789899  0.89574705
   0.68467938  0.94685850  0.57528300
   0.70152804  0.86195611  0.49025053
   0.91839777  0.17647152  0.14233360
   0.78708863  0.42232132  0.35020672
   0.23379564  0.10698205  0.67938828
   0.25886500  0.64761020  0.73686777
   0.04814018  1.10392838  0.16460412
   0.21638115  1.00438249 -0.01655527
   0.62654325  0.34002422  0.85698616
   0.90164309  0.48511346  0.68432870
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.695701    0.117464   -0.032645
    -0.000000    9.908524   -0.034923
    -0.000000   -0.000000   13.737303
   Si   O    H 
    32    64    10
Direct configuration=   393
   0.16030055  0.15902619 -0.01003467
   0.40501958  0.07891482  0.38858201
   0.14617425  0.39725520  0.13065604
   0.40114610  0.33282481  0.25454061
   0.13375406  0.15798141  0.49803266
   0.41170230  0.13043880  0.86572630
   0.10164159  0.42281678  0.62682823
   0.34336168  0.37568153  0.74912509
   0.13986218  0.65043356  0.01135674
   0.39809966  0.58476300  0.37502698
   0.08962074  0.89109551  0.14116159
   0.33745402  0.83096133  0.25380746
   0.15342017  0.65845332  0.49454415
   0.38553502  0.61817528  0.87250770
   0.05120330  0.91183746  0.60692689
   0.29222053  0.98493197  0.71394246
   0.63628449  0.13399975  1.00411994
   0.88088028  0.11337051  0.38336175
   0.62759211  0.40471063  0.11349088
   0.89361207  0.29810624  0.20792745
   0.64203278  0.18620663  0.53185802
   0.89089755  0.11007372  0.88206094
   0.58154341  0.44722602  0.61969195
   0.75426455  0.34861652  0.80603169
   0.63641800  0.65216303 -0.00777927
   0.91307169  0.58990870  0.37832433
   0.57363195  0.89818435  0.12209780
   0.81790633  0.84287198  0.26211400
   0.65106287  0.66021680  0.49225948
   0.89848931  0.59664292  0.88170971
   0.60797959  0.97370218  0.66505861
   0.83753140  0.85263784  0.76655896
   0.11918857  0.05569381  0.12689927
   0.37309562  0.17950187  0.29709076
   0.09508159  0.29824614  0.04193454
   0.36139168  0.42400240  0.34765134
   0.55338549  0.34180312  0.21307561
   0.30595611  0.36818041  0.16342000
   0.29130002  0.10625948  0.48246261
   0.04696066  0.15186222  0.39650567
   0.04882426  0.06279760  0.57752644
   0.41419221  0.23340433  0.77211004
   0.13073666  0.32136533  0.53284186
   0.34635296  0.46553973  0.84635978
   0.42236267  0.43068720  0.65409015
   0.17168826  0.35895579  0.72985945
   0.33276131  0.20899668 -0.04609679
   0.04546950  0.16351635  0.89893134
   0.13955189  0.55636197  0.09947181
   0.37709721  0.68076310  0.28219008
   0.11860789  0.81793855  0.03623740
   0.38666001  0.92150694  0.34718002
   0.40874312  0.88545068  0.15110645
   0.17108439  0.83959581  0.23298652
   0.31881320  0.66161033  0.46846404
   0.06997827  0.61542561  0.39730802
   0.14022130  0.57909997  0.59866430
   0.33811137  0.69234737  0.77189314
   0.10565985  0.81558018  0.52025811
   0.34586531  0.99699655  0.82331177
   0.44443994  0.93953892  0.67004013
   0.16508103  0.87847881  0.69191895
   0.30088028  0.63493905 -0.02475090
   0.05398913  0.61104669  0.91478665
   0.61442688  0.05274211  0.10529176
   0.82103993  0.20685042  0.29723884
   0.58627298  0.29563098  0.02628025
   0.87950961  0.44327523  0.33536251
   0.04867190  0.36660788  0.22157628
   0.78502345  0.38901332  0.14058658
   0.78936389  0.14994347  0.47464063
   0.53951751  0.10423795  0.45828130
   0.61322279  0.14180527  0.64291437
   0.80618840  0.19132310  0.79731249
   0.60490414  0.34043368  0.52777887
   0.88069859  0.43753365  0.84590043
   0.93385166  0.40591362  0.64357272
   0.69743805  0.40114535  0.70300197
   0.79815839  0.11780065  0.97692508
   0.55993360  0.07024919  0.91242114
   0.58107620  0.55892546  0.08662550
   0.84818726  0.69430624  0.29680866
   0.60874928  0.80752214  0.02450811
   0.84142800  0.95388186  0.36116065
   0.92771366  0.88305493  0.16957956
   0.65828919  0.85749197  0.21650108
   0.82113258  0.61992187  0.47880139
   0.55742738  0.58936770  0.40735765
   0.60139840  0.61832215  0.60131901
   0.85885691  0.69525234  0.78840690
   0.63120274  0.80918559  0.45547407
   0.91403882  0.94357788  0.85118276
   0.90450538  0.87439575  0.65806282
   0.67654880  0.91176478  0.76104956
   0.79604370  0.62742052  0.97288704
   0.54934126  0.64660638  0.89464084
   0.69216779  0.93875936  0.56952197
   0.70270757  0.85432317  0.48938489
   0.91679255  0.18022713  0.14250601
   0.79117363  0.43023518  0.34884416
   0.23013500  0.10277661  0.67555743
   0.26414241  0.64633825  0.73597045
   0.04531169  1.11930487  0.16498399
   0.20759307  1.01506171 -0.01538637
   0.62158775  0.33752273  0.84935828
   0.91583991  0.47666829  0.68124368
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.694619    0.119889   -0.033717
    -0.000000    9.907527   -0.038330
    -0.000000   -0.000000   13.738951
   Si   O    H 
    32    64    10
Direct configuration=   394
   0.16040475  0.15854947 -0.01042213
   0.40770470  0.07853506  0.38807914
   0.14684751  0.39814579  0.13006366
   0.40091947  0.33315163  0.25485288
   0.13464176  0.15883692  0.49731948
   0.41187805  0.13127475  0.86621128
   0.10091246  0.42340724  0.62776629
   0.34323314  0.37562234  0.74987312
   0.13968551  0.65081575  0.01113125
   0.39861751  0.58432393  0.37466001
   0.09048175  0.89201382  0.14011973
   0.33816907  0.83193988  0.25291538
   0.15339045  0.65829149  0.49469050
   0.38481446  0.61728181  0.87292038
   0.05080325  0.91128470  0.60660982
   0.29101538  0.98296344  0.71319847
   0.63551799  0.13459610  1.00408505
   0.88130241  0.11190910  0.38318979
   0.62741869  0.40487162  0.11355836
   0.89309346  0.29825641  0.20928531
   0.64270149  0.18711802  0.53254355
   0.89132192  0.10943649  0.88249148
   0.58164893  0.44822932  0.61992212
   0.75354752  0.34919461  0.80503917
   0.63593226  0.65088797 -0.00706808
   0.91217282  0.58929851  0.37769920
   0.57313703  0.89699683  0.12190441
   0.81870467  0.84103320  0.26150046
   0.65165731  0.66105915  0.49204451
   0.89796545  0.59516076  0.88259676
   0.60849169  0.97478527  0.66446201
   0.83662719  0.85252024  0.76667980
   0.11933444  0.05550330  0.12774304
   0.37148673  0.17933481  0.29599318
   0.09430176  0.29923497  0.04273974
   0.35982339  0.42439922  0.34763364
   0.55324021  0.34101159  0.21332478
   0.30433143  0.36891601  0.16277443
   0.29206634  0.10777845  0.48363087
   0.04611459  0.14985672  0.39535956
   0.04882592  0.06304153  0.57707043
   0.41675286  0.23304020  0.76999481
   0.13040544  0.32152831  0.53304110
   0.34703068  0.46442892  0.84688132
   0.42344474  0.43240453  0.65517982
   0.17033907  0.35993324  0.72990557
   0.33240653  0.21027965 -0.04759174
   0.04678646  0.16266532  0.89845929
   0.13903732  0.55438343  0.09936512
   0.37642342  0.68126162  0.28193095
   0.11869533  0.81675727  0.03533885
   0.38717659  0.92208395  0.34719856
   0.41009867  0.88762828  0.15073107
   0.17137410  0.83846368  0.23271042
   0.31957484  0.66102914  0.46961477
   0.06866636  0.61636588  0.39662990
   0.14024453  0.57793233  0.60158520
   0.33794955  0.69328751  0.77260790
   0.10567079  0.81634985  0.51929106
   0.34556203  0.99821437  0.82349691
   0.44301996  0.93899083  0.67057104
   0.16344476  0.87754726  0.69264926
   0.29948270  0.63545012 -0.02643511
   0.05666202  0.60971501  0.91399907
   0.61554493  0.05470293  0.10463806
   0.82199716  0.20593118  0.29828517
   0.58712865  0.29484699  0.02577008
   0.87965345  0.44476245  0.33523515
   0.04813070  0.36694558  0.22013667
   0.78470854  0.38813985  0.14194047
   0.78867818  0.15023114  0.47504578
   0.53811855  0.10514831  0.45805871
   0.61419294  0.14348140  0.64285277
   0.80943802  0.19251934  0.79792213
   0.60336912  0.34217395  0.52664749
   0.88049143  0.43778808  0.84777489
   0.93444407  0.40731849  0.64388371
   0.69772926  0.40189951  0.70357855
   0.79711028  0.11788898  0.97647411
   0.55942481  0.07021895  0.91221854
   0.58086168  0.55676876  0.08706371
   0.85252621  0.69370453  0.29790545
   0.60919319  0.80733189  0.02498577
   0.84246733  0.95451650  0.36150441
   0.92800730  0.87978787  0.16837640
   0.65866047  0.85628012  0.21716857
   0.82178848  0.61874129  0.47973657
   0.55782497  0.58941682  0.40815319
   0.60153093  0.61535063  0.60166908
   0.85802817  0.69383090  0.78739248
   0.63169196  0.80828035  0.45424363
   0.91370936  0.94222426  0.85273120
   0.90378412  0.87379042  0.65795921
   0.67472077  0.91200836  0.76137631
   0.79618913  0.62578911  0.97357548
   0.54750228  0.64495797  0.89276394
   0.69594736  0.93348697  0.57323200
   0.70855970  0.85437415  0.49052454
   0.91809448  0.18043472  0.14172209
   0.77414902  0.43566105  0.34684017
   0.22779525  0.10218301  0.67352611
   0.26625675  0.64617781  0.73278486
   0.04743294  1.12740486  0.16325331
   0.19772255  1.02647710 -0.01280347
   0.61742169  0.33689451  0.84547161
   0.92365242  0.48603140  0.68672216
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.693869    0.122015   -0.034415
    -0.000000    9.906184   -0.042087
    -0.000000   -0.000000   13.740556
   Si   O    H 
    32    64    10
Direct configuration=   395
   0.16058229  0.15861232 -0.01119221
   0.40959783  0.07825364  0.38775369
   0.14752631  0.39854509  0.12952129
   0.40066781  0.33306091  0.25559374
   0.13583231  0.15916807  0.49690940
   0.41171210  0.13240333  0.86682954
   0.09991880  0.42374690  0.62892584
   0.34284070  0.37535547  0.75016396
   0.14051996  0.65119604  0.01034890
   0.39912689  0.58333759  0.37452019
   0.09136897  0.89326018  0.13903716
   0.33891015  0.83331187  0.25212552
   0.15329606  0.65838322  0.49507060
   0.38424308  0.61668961  0.87339674
   0.05006327  0.91048025  0.60675735
   0.28991276  0.98095146  0.71257785
   0.63393430  0.13559810  1.00430553
   0.88078043  0.10991988  0.38345432
   0.62743299  0.40437829  0.11382740
   0.89239809  0.29818249  0.21040280
   0.64367579  0.18816704  0.53272533
   0.89186637  0.10848070  0.88278456
   0.58170629  0.44956066  0.62061838
   0.75247586  0.34961700  0.80389791
   0.63495538  0.65004176 -0.00625422
   0.91069196  0.58899458  0.37756136
   0.57276861  0.89629037  0.12186270
   0.81929670  0.84069093  0.26052418
   0.65251413  0.66185791  0.49189243
   0.89719824  0.59389803  0.88325498
   0.60900368  0.97571087  0.66401441
   0.83628489  0.85221602  0.76645495
   0.11897040  0.05641934  0.12876891
   0.36943675  0.17861867  0.29499302
   0.09342988  0.29960335  0.04345981
   0.35903080  0.42647359  0.34772482
   0.55322357  0.34121422  0.21394741
   0.30301280  0.36967581  0.16188872
   0.29271615  0.10852393  0.48410114
   0.04585614  0.14883720  0.39461834
   0.04900234  0.06358624  0.57593691
   0.41998449  0.23210185  0.76826440
   0.13051339  0.32158141  0.53360703
   0.34778988  0.46334780  0.84762128
   0.42408205  0.43350150  0.65618964
   0.16935603  0.36093389  0.73017325
   0.33271273  0.21168977 -0.04935060
   0.04849669  0.16209710  0.89736236
   0.13867642  0.55271928  0.09986301
   0.37642588  0.68135104  0.28241928
   0.11858991  0.81483546  0.03448765
   0.38811758  0.92362049  0.34725611
   0.41100524  0.88923586  0.15024249
   0.17245863  0.83738542  0.23269203
   0.32012666  0.66021007  0.47046533
   0.06767257  0.61728974  0.39615142
   0.13982652  0.57640724  0.60417336
   0.33676763  0.69473955  0.77319398
   0.10647307  0.81730486  0.51804606
   0.34448870  0.99841789  0.82417262
   0.44243927  0.93897405  0.67066120
   0.16207362  0.87682153  0.69325650
   0.29914651  0.63599154 -0.02815228
   0.05884548  0.60836169  0.91337550
   0.61696865  0.05658951  0.10369336
   0.82252943  0.20541164  0.29865437
   0.58863314  0.29468008  0.02517707
   0.87885349  0.44515775  0.33470410
   0.04865083  0.36801343  0.21804692
   0.78423810  0.38708504  0.14287635
   0.78880546  0.15093642  0.47528399
   0.53694612  0.10644531  0.45748295
   0.61532441  0.14556364  0.64329116
   0.81212708  0.19409417  0.79809443
   0.60194901  0.34472042  0.52615266
   0.88035697  0.43765675  0.84928257
   0.93483294  0.40803008  0.64410841
   0.69761905  0.40361854  0.70370057
   0.79595181  0.11723184  0.97655147
   0.55867656  0.07089905  0.91244432
   0.58084027  0.55453666  0.08744168
   0.85679070  0.69281862  0.29864042
   0.60959367  0.80701503  0.02568127
   0.84394409  0.95458137  0.36221530
   0.92748448  0.87549394  0.16829102
   0.65841012  0.85519964  0.21763447
   0.82185862  0.61837379  0.48080332
   0.55742969  0.58961067  0.40877219
   0.60142256  0.61184309  0.60130727
   0.85742648  0.69199999  0.78643233
   0.63234907  0.80754254  0.45317082
   0.91367173  0.94139983  0.85406879
   0.90363401  0.87339929  0.65792107
   0.67319896  0.91201877  0.76156034
   0.79708249  0.62409005  0.97403498
   0.54576784  0.64310672  0.89128712
   0.69587169  0.93118734  0.58306712
   0.71182291  0.85882399  0.48897128
   0.91854046  0.18227450  0.13997271
   0.76877508  0.43771607  0.33964226
   0.22698996  0.10501762  0.67680634
   0.27058161  0.64707353  0.73345634
   0.05689440  1.12628773  0.15849712
   0.19718645  1.02730016 -0.01221117
   0.61572176  0.33749679  0.84685203
   0.92838581  0.49443481  0.69243609
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.693363    0.123761   -0.034456
    -0.000000    9.904973   -0.045940
    -0.000000   -0.000000   13.742258
   Si   O    H 
    32    64    10
Direct configuration=   396
   0.16009636  0.15919214 -0.01222904
   0.41094528  0.07835724  0.38774684
   0.14837874  0.39857043  0.12894558
   0.40048295  0.33347732  0.25677738
   0.13716535  0.15991816  0.49675899
   0.41221820  0.13373503  0.86741362
   0.09886161  0.42325639  0.62988042
   0.34234379  0.37465585  0.75024141
   0.14215509  0.65145597  0.00946863
   0.39942775  0.58380831  0.37442492
   0.09226698  0.89437459  0.13797492
   0.34045810  0.83519110  0.25139576
   0.15301093  0.65860867  0.49563912
   0.38325280  0.61592587  0.87383757
   0.04996433  0.90942830  0.60661963
   0.28888080  0.97927947  0.71205793
   0.63227435  0.13672746  1.00424727
   0.88058304  0.10788318  0.38396068
   0.62667149  0.40389876  0.11426543
   0.89142630  0.29801078  0.21123142
   0.64397423  0.18868847  0.53237037
   0.89256492  0.10684728  0.88285792
   0.58138157  0.45038617  0.62148424
   0.75090064  0.34885803  0.80265127
   0.63411969  0.64930017 -0.00535337
   0.90915115  0.58887620  0.37758225
   0.57274024  0.89545995  0.12190195
   0.82019473  0.84047442  0.25947181
   0.65326753  0.66196877  0.49164396
   0.89649637  0.59262760  0.88364792
   0.60939923  0.97658136  0.66333450
   0.83626776  0.85265640  0.76633409
   0.11960997  0.05725189  0.12962188
   0.36911308  0.17848653  0.29398533
   0.09220780  0.29912937  0.04403989
   0.35818958  0.42825549  0.34804801
   0.55384280  0.34241360  0.21445175
   0.30124041  0.37050600  0.16141022
   0.29299684  0.10931529  0.48421603
   0.04553487  0.14801843  0.39418353
   0.04966563  0.06462733  0.57450475
   0.42356008  0.23067570  0.76694593
   0.13061009  0.32107501  0.53382874
   0.34914585  0.46211983  0.84873733
   0.42479420  0.43457192  0.65705752
   0.16813369  0.36166887  0.72981326
   0.33206894  0.21280560 -0.05032218
   0.04978326  0.16234057  0.89619598
   0.13823680  0.55181235  0.10082933
   0.37595163  0.68033533  0.28264666
   0.11814450  0.81313046  0.03411941
   0.38853187  0.92541712  0.34754119
   0.41196792  0.88971639  0.14959764
   0.17291973  0.83716729  0.23192231
   0.31963981  0.65886932  0.47132049
   0.06768972  0.61901411  0.39629318
   0.14008819  0.57485503  0.60634845
   0.33525557  0.69574090  0.77362402
   0.10705507  0.81832597  0.51674117
   0.34269520  0.99839649  0.82492170
   0.44177250  0.93907346  0.67055049
   0.16054994  0.87641119  0.69384728
   0.29858673  0.63672839 -0.02977902
   0.06031986  0.60782843  0.91269808
   0.61813661  0.05761907  0.10385910
   0.82288534  0.20529476  0.29896856
   0.58937333  0.29474426  0.02437498
   0.87659683  0.44514491  0.33400202
   0.04818013  0.36864361  0.21630363
   0.78381323  0.38630069  0.14379616
   0.78807100  0.15134009  0.47595851
   0.53610882  0.10719108  0.45740881
   0.61654035  0.14745261  0.64330952
   0.81433794  0.19563791  0.79791147
   0.60108871  0.34700396  0.52569716
   0.87935216  0.43707874  0.85091722
   0.93585219  0.40937920  0.64464033
   0.69706490  0.40575346  0.70360744
   0.79491587  0.11687884  0.97721529
   0.55794597  0.07142962  0.91193246
   0.58060881  0.55223389  0.08773015
   0.85997937  0.69186279  0.29916706
   0.60925287  0.80643119  0.02625916
   0.84511113  0.95371325  0.36244372
   0.92632440  0.87149662  0.16842543
   0.65988013  0.85394208  0.21798894
   0.82290689  0.61751675  0.48214194
   0.55761986  0.58873426  0.40900641
   0.60147615  0.60813099  0.60089850
   0.85722272  0.69105773  0.78536078
   0.63322729  0.80807678  0.45268560
   0.91314788  0.94061722  0.85494949
   0.90212091  0.87268968  0.65777351
   0.67263308  0.91214554  0.76168627
   0.79786662  0.62309183  0.97439292
   0.54470474  0.64187713  0.89059952
   0.69714997  0.92847483  0.59202039
   0.70408848  0.86231557  0.48434844
   0.91758829  0.18592710  0.14002650
   0.77745957  0.43915097  0.33213550
   0.23123883  0.10572274  0.68106498
   0.27115895  0.64753962  0.73164053
   0.06175267  1.12364141  0.15847402
   0.19908192  1.01388979 -0.01295808
   0.61314920  0.33884438  0.84650941
   0.92865651  0.49372216  0.69310932
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.692907    0.125095   -0.034681
    -0.000000    9.903703   -0.049651
    -0.000000   -0.000000   13.744465
   Si   O    H 
    32    64    10
Direct configuration=   397
   0.16036455  0.15973643 -0.01299581
   0.41160521  0.07846824  0.38810969
   0.14925427  0.39930164  0.12843251
   0.40008871  0.33345414  0.25750963
   0.13873778  0.16123534  0.49679972
   0.41285683  0.13505524  0.86795203
   0.09851161  0.42270731  0.63058123
   0.34144451  0.37397682  0.75013710
   0.14297274  0.65208015  0.00830305
   0.39917096  0.58411070  0.37462180
   0.09251443  0.89495365  0.13670203
   0.34244199  0.83704646  0.25093129
   0.15307834  0.65872192  0.49667736
   0.38258444  0.61522090  0.87392019
   0.04974813  0.90812458  0.60614622
   0.28840093  0.97756184  0.71137064
   0.63102433  0.13819319  1.00383341
   0.88016491  0.10610004  0.38428334
   0.62632596  0.40304457  0.11430225
   0.89064639  0.29796072  0.21229013
   0.64417459  0.18908034  0.53163875
   0.89358742  0.10506559  0.88284799
   0.58082789  0.45133662  0.62244159
   0.74909545  0.34887660  0.80180856
   0.63280402  0.64846502 -0.00451031
   0.90803391  0.58866698  0.37785533
   0.57339446  0.89434663  0.12191700
   0.82116237  0.84040964  0.25868616
   0.65442467  0.66153771  0.49202776
   0.89613410  0.59129040  0.88371368
   0.60902188  0.97792993  0.66283046
   0.83615152  0.85381631  0.76641717
   0.11989243  0.05754003  0.13062079
   0.37029532  0.17776532  0.29394532
   0.09147618  0.29849049  0.04422337
   0.35739687  0.43035405  0.34811804
   0.55451674  0.34463731  0.21472706
   0.30012283  0.37085522  0.16153235
   0.29338323  0.10988148  0.48383847
   0.04513083  0.14767153  0.39406054
   0.05047039  0.06593451  0.57334895
   0.42677029  0.22891507  0.76636715
   0.13095979  0.32118861  0.53449920
   0.35028785  0.46012594  0.84932701
   0.42483428  0.43560171  0.65734526
   0.16792960  0.36135020  0.72996689
   0.33029999  0.21345355 -0.05079462
   0.05113746  0.16246749  0.89519908
   0.13706900  0.55166296  0.10122035
   0.37609765  0.67989172  0.28239169
   0.11781580  0.81113767  0.03394053
   0.38916546  0.92656794  0.34748617
   0.41309460  0.89032244  0.14890786
   0.17354116  0.83721897  0.23160918
   0.31744710  0.65727272  0.47209174
   0.06830534  0.62042897  0.39690457
   0.14009719  0.57364794  0.60837518
   0.33396309  0.69777958  0.77422328
   0.10693013  0.81871501  0.51483976
   0.34076500  0.99800398  0.82563413
   0.44211157  0.93854151  0.67033631
   0.15893177  0.87675691  0.69444472
   0.29853352  0.63833517 -0.03045859
   0.06050937  0.60719138  0.91202538
   0.61865386  0.05761065  0.10393812
   0.82297466  0.20567511  0.29935821
   0.59081089  0.29480091  0.02424186
   0.87434501  0.44497380  0.33341882
   0.04751493  0.36850995  0.21471377
   0.78328440  0.38635939  0.14492150
   0.78654521  0.15242870  0.47692542
   0.53522165  0.10840988  0.45759618
   0.61720588  0.14809503  0.64359664
   0.81668178  0.19596090  0.79798841
   0.60049841  0.34834302  0.52584330
   0.87753004  0.43651924  0.85271305
   0.93678026  0.41091440  0.64540254
   0.69594666  0.40772334  0.70310664
   0.79463752  0.11582403  0.97787485
   0.55600885  0.07251855  0.91181471
   0.58052497  0.55025156  0.08779362
   0.86260098  0.69166430  0.29952373
   0.60910032  0.80628446  0.02728940
   0.84644438  0.95238951  0.36217219
   0.92536354  0.86826115  0.16943201
   0.66188027  0.85305545  0.21824670
   0.82314025  0.61764323  0.48343657
   0.55722413  0.58787518  0.40905412
   0.60188996  0.60515373  0.60011909
   0.85731105  0.69020613  0.78469730
   0.63418901  0.80902380  0.45217067
   0.91207081  0.94057833  0.85528208
   0.90057731  0.87146496  0.65750538
   0.67401073  0.91247251  0.76179256
   0.79778466  0.62166279  0.97454629
   0.54402634  0.64068694  0.88945419
   0.70059373  0.92545599  0.59772496
   0.69787072  0.86910357  0.47761811
   0.91521232  0.18801504  0.14152982
   0.78391731  0.43887698  0.32732841
   0.23643770  0.10526991  0.68326596
   0.27396291  0.65247159  0.72859248
   0.06095817  1.12510139  0.16119760
   0.20414886  1.00429988 -0.01554311
   0.60976116  0.34526945  0.84833900
   0.92537964  0.48502579  0.69111934
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.692522    0.126563   -0.034840
    -0.000000    9.902655   -0.053355
    -0.000000   -0.000000   13.746403
   Si   O    H 
    32    64    10
Direct configuration=   398
   0.16052174  0.16029023 -0.01406621
   0.41197964  0.07866651  0.38859309
   0.15009768  0.40013400  0.12769806
   0.39974844  0.33270229  0.25780984
   0.13956868  0.16185440  0.49684619
   0.41382071  0.13571699  0.86811266
   0.09841546  0.42167685  0.63094263
   0.34024929  0.37268985  0.75007153
   0.14382027  0.65305569  0.00702486
   0.39826377  0.58499338  0.37522667
   0.09166564  0.89531136  0.13598317
   0.34365934  0.83857176  0.25085647
   0.15325825  0.65873085  0.49825060
   0.38200266  0.61452344  0.87374267
   0.04973199  0.90683628  0.60589180
   0.28806564  0.97597926  0.71102133
   0.62926296  0.13942658  1.00354646
   0.87951775  0.10486568  0.38468175
   0.62530085  0.40128598  0.11442840
   0.89043431  0.29790074  0.21366429
   0.64415795  0.18960766  0.53054713
   0.89468192  0.10395368  0.88255923
   0.58010590  0.45171556  0.62364898
   0.74757666  0.34856847  0.80055751
   0.63191443  0.64791460 -0.00425365
   0.90725335  0.58863243  0.37813008
   0.57435310  0.89328672  0.12200767
   0.82162228  0.84038178  0.25830523
   0.65540932  0.65959719  0.49232767
   0.89627391  0.58995410  0.88331673
   0.60815515  0.97971863  0.66252220
   0.83599894  0.85465104  0.76663696
   0.12049068  0.05839256  0.13088353
   0.37182145  0.17746132  0.29385493
   0.09076362  0.29722637  0.04449545
   0.35608941  0.43268806  0.34841555
   0.55525795  0.34633426  0.21489496
   0.29960700  0.37038939  0.16245907
   0.29386222  0.10964731  0.48334586
   0.04489598  0.14762013  0.39418076
   0.05084697  0.06671931  0.57268140
   0.42943615  0.22719288  0.76581178
   0.13099063  0.32108688  0.53553154
   0.35167942  0.45850499  0.84991493
   0.42473831  0.43682067  0.65779036
   0.16852198  0.36118461  0.73000529
   0.32784637  0.21413442 -0.05072825
   0.05212203  0.16284663  0.89428816
   0.13617198  0.55229769  0.10155458
   0.37634582  0.67949752  0.28193806
   0.11761563  0.80991463  0.03394940
   0.38914782  0.92695787  0.34789937
   0.41351240  0.89069817  0.14865099
   0.17447070  0.83713110  0.23095059
   0.31557137  0.65573287  0.47131989
   0.06961233  0.62117475  0.39766608
   0.13970284  0.57350535  0.61011499
   0.33275952  0.69937507  0.77512393
   0.10686191  0.81910232  0.51348335
   0.33907411  0.99706429  0.82587915
   0.44278879  0.93731472  0.66969256
   0.15752626  0.87720997  0.69551094
   0.29883669  0.63941043 -0.03051458
   0.05969247  0.60744961  0.91131700
   0.61894151  0.05674715  0.10402876
   0.82353767  0.20640970  0.29914960
   0.59169027  0.29550398  0.02470378
   0.87326924  0.44476508  0.33304657
   0.04604925  0.36787948  0.21344863
   0.78295387  0.38653251  0.14641385
   0.78509503  0.15317272  0.47846785
   0.53467209  0.10870990  0.45763999
   0.61788640  0.14789595  0.64307476
   0.81946800  0.19567704  0.79779576
   0.60035738  0.34982193  0.52665008
   0.87628158  0.43658813  0.85356594
   0.93704095  0.41336096  0.64628987
   0.69483480  0.40990743  0.70206352
   0.79482002  0.11496238  0.97879484
   0.55351486  0.07388841  0.91136011
   0.57979484  0.54960594  0.08695318
   0.86407365  0.69179994  0.29963581
   0.60892461  0.80547671  0.02812415
   0.84725523  0.95083666  0.36114553
   0.92516472  0.86584908  0.17021228
   0.66363938  0.85239413  0.21859963
   0.82394286  0.61783018  0.48450994
   0.55737053  0.58597190  0.40894952
   0.60143079  0.60338237  0.59908425
   0.85794595  0.68948419  0.78435821
   0.63338758  0.81032940  0.45201456
   0.91045383  0.94064267  0.85508776
   0.89899680  0.87057568  0.65627164
   0.67531220  0.91356648  0.76166882
   0.79694384  0.62022426  0.97508230
   0.54391896  0.64011567  0.88889130
   0.70869459  0.92309366  0.59667502
   0.69887502  0.88320485  0.47543348
   0.91718930  0.18268637  0.14198291
   0.77018862  0.43596984  0.32339993
   0.24147727  0.10744056  0.68440452
   0.27227557  0.65587731  0.72810877
   0.05221541  1.13076810  0.16530723
   0.20905020  1.00290702 -0.01723160
   0.61143306  0.34918412  0.85333100
   0.91959179  0.47679952  0.69266336
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.692206    0.127697   -0.035041
    -0.000000    9.901091   -0.057172
    -0.000000   -0.000000   13.747754
   Si   O    H 
    32    64    10
Direct configuration=   399
   0.16100722  0.16016747 -0.01496648
   0.41215791  0.07856617  0.38926150
   0.15096233  0.40078127  0.12732306
   0.39937304  0.33178590  0.25807373
   0.13953835  0.16176101  0.49681729
   0.41454300  0.13576201  0.86802969
   0.09769757  0.42126903  0.63090433
   0.33934356  0.37202838  0.75046148
   0.14463136  0.65403139  0.00572514
   0.39831454  0.58561682  0.37593354
   0.09060047  0.89524628  0.13518999
   0.34443489  0.84018870  0.25169716
   0.15350596  0.65906991  0.49917507
   0.38118727  0.61422345  0.87352739
   0.04970444  0.90515762  0.60617298
   0.28799698  0.97421448  0.71095855
   0.62777489  0.14035435  1.00256399
   0.87898148  0.10415638  0.38486769
   0.62433512  0.39850894  0.11483763
   0.89025965  0.29754851  0.21455447
   0.64374684  0.18996424  0.52959531
   0.89620369  0.10254408  0.88211296
   0.57996893  0.45193588  0.62482182
   0.74620307  0.34792615  0.79933201
   0.63088367  0.64778782 -0.00439305
   0.90615259  0.58871607  0.37876972
   0.57533540  0.89204257  0.12230610
   0.82240869  0.84005346  0.25816948
   0.65629337  0.65722426  0.49266626
   0.89614204  0.58880513  0.88299004
   0.60644249  0.98127363  0.66217746
   0.83645341  0.85511449  0.76676307
   0.12075003  0.05950076  0.13116184
   0.37376595  0.17759492  0.29430945
   0.09059120  0.29580206  0.04464294
   0.35504458  0.43516223  0.34936810
   0.55517689  0.34810963  0.21523631
   0.30064317  0.37008350  0.16362405
   0.29498640  0.10909000  0.48279981
   0.04494360  0.14810585  0.39383518
   0.05091894  0.06790053  0.57169578
   0.43080650  0.22580234  0.76549180
   0.13137352  0.32139276  0.53645983
   0.35254307  0.45630821  0.85088583
   0.42456000  0.43752452  0.65855496
   0.16906601  0.36070449  0.72969713
   0.32536209  0.21468327 -0.05052153
   0.05244586  0.16270703  0.89295590
   0.13583819  0.55374226  0.10151792
   0.37610028  0.67936433  0.28137124
   0.11772398  0.80909139  0.03407884
   0.38930597  0.92738431  0.34864466
   0.41323119  0.89126381  0.14823261
   0.17621586  0.83770796  0.23067855
   0.31434251  0.65418726  0.47063389
   0.07069730  0.62170941  0.39860315
   0.13876047  0.57360286  0.61098755
   0.33171784  0.70056315  0.77642853
   0.10618300  0.81958797  0.51270592
   0.33742816  0.99630256  0.82644002
   0.44315619  0.93636790  0.66851433
   0.15588077  0.87686992  0.69651383
   0.29862196  0.64058616 -0.03028789
   0.05798200  0.60767017  0.91084654
   0.61843014  0.05514910  0.10427901
   0.82397981  0.20709489  0.29869775
   0.59204920  0.29619274  0.02499650
   0.87217452  0.44477945  0.33226160
   0.04396887  0.36693331  0.21323423
   0.78268694  0.38676021  0.14749406
   0.78358934  0.15447463  0.47929681
   0.53520175  0.10850026  0.45740015
   0.61849740  0.14728365  0.64268265
   0.82207044  0.19512579  0.79804533
   0.60052720  0.35113768  0.52734494
   0.87533336  0.43567849  0.85396889
   0.93779523  0.41543614  0.64689832
   0.69352170  0.41213417  0.70138371
   0.79455910  0.11378708  0.97969578
   0.55043720  0.07581002  0.91122305
   0.57932132  0.54940452  0.08576922
   0.86599731  0.69213459  0.29902062
   0.60821629  0.80380913  0.02937955
   0.84744387  0.94920215  0.36026975
   0.92592335  0.86357994  0.17061147
   0.66529153  0.85143645  0.21901631
   0.82509940  0.61830942  0.48506673
   0.55739298  0.58354697  0.40923531
   0.60160606  0.60261485  0.59780882
   0.85831956  0.68957247  0.78436163
   0.63234495  0.81172591  0.45182888
   0.90924135  0.94098610  0.85469133
   0.89776193  0.86991980  0.65471462
   0.67671911  0.91410580  0.76178408
   0.79600692  0.61880639  0.97581106
   0.54431368  0.63955880  0.88921635
   0.71589908  0.91946212  0.59097944
   0.69798255  0.88830513  0.47433084
   0.91936005  0.17960302  0.14299712
   0.76159167  0.43431606  0.32293297
   0.24582623  0.11003535  0.68538700
   0.26943991  0.65642016  0.72358629
   0.04702513  1.12935970  0.16613332
   0.20921919  1.01320445 -0.01711489
   0.62079583  0.35475784  0.85772595
   0.90595989  0.48025214  0.69908379
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.691893    0.128814   -0.035105
    -0.000000    9.899221   -0.060611
    -0.000000   -0.000000   13.749293
   Si   O    H 
    32    64    10
Direct configuration=   400
   0.16136786  0.16074075 -0.01600359
   0.41197513  0.07808455  0.38975208
   0.15165520  0.40116780  0.12671674
   0.39894479  0.33155454  0.25832773
   0.13957925  0.16119899  0.49658111
   0.41452970  0.13571233  0.86782326
   0.09608912  0.42019659  0.63053884
   0.33830357  0.37066263  0.75089016
   0.14477290  0.65416759  0.00463732
   0.39796091  0.58645262  0.37679162
   0.08888090  0.89548912  0.13458778
   0.34478582  0.84156195  0.25240811
   0.15357349  0.65914388  0.49989394
   0.38049728  0.61437403  0.87327094
   0.04939671  0.90377104  0.60638540
   0.28864945  0.97257370  0.71134440
   0.62715351  0.14075054  1.00183313
   0.87851130  0.10328913  0.38504638
   0.62292316  0.39558099  0.11523295
   0.89006569  0.29654290  0.21442879
   0.64405570  0.19065715  0.52862348
   0.89743998  0.10154930  0.88181397
   0.57919205  0.45119767  0.62587266
   0.74496832  0.34755755  0.79856904
   0.62972396  0.64713756 -0.00469703
   0.90476827  0.58924216  0.37951047
   0.57611288  0.89108002  0.12297753
   0.82306426  0.83962153  0.25845274
   0.65670385  0.65515578  0.49269341
   0.89584244  0.58848991  0.88293128
   0.60510553  0.98269393  0.66174931
   0.83701967  0.85504749  0.76666076
   0.12015866  0.06082939  0.13165716
   0.37583387  0.17735019  0.29524891
   0.09102492  0.29421605  0.04486182
   0.35495281  0.43761863  0.35007948
   0.55507624  0.34954247  0.21584773
   0.30226927  0.36895847  0.16474945
   0.29549362  0.10781935  0.48221337
   0.04513213  0.14795818  0.39343712
   0.05109725  0.06819776  0.57035460
   0.43189334  0.22504897  0.76551113
   0.13165579  0.32146241  0.53815813
   0.35397524  0.45343773  0.85147596
   0.42409619  0.43837418  0.66011652
   0.17002724  0.35930664  0.72947439
   0.32279036  0.21497608 -0.05067506
   0.05255317  0.16320961  0.89158367
   0.13530645  0.55559200  0.10157916
   0.37660001  0.68017281  0.28091187
   0.11699950  0.80806631  0.03384974
   0.38884444  0.92744421  0.34925908
   0.41317491  0.89113325  0.14812824
   0.17755869  0.83806839  0.23071427
   0.31362560  0.65239149  0.47075927
   0.07147557  0.62181636  0.39953594
   0.13712661  0.57473772  0.61149922
   0.33146076  0.70078041  0.77789503
   0.10492287  0.82010508  0.51221773
   0.33553527  0.99503361  0.82673593
   0.44430731  0.93534530  0.66801016
   0.15438201  0.87672948  0.69759136
   0.29810065  0.64188166 -0.02920380
   0.05494919  0.60761184  0.91008606
   0.61702167  0.05284981  0.10443166
   0.82356463  0.20707137  0.29895525
   0.59196662  0.29713697  0.02442809
   0.87048396  0.44504144  0.33110731
   0.04225112  0.36616858  0.21327422
   0.78259049  0.38668473  0.14937744
   0.78301657  0.15540217  0.47957264
   0.53664127  0.10820484  0.45724417
   0.61954388  0.14627452  0.64260611
   0.82317263  0.19459778  0.79797280
   0.60097617  0.35265150  0.52833958
   0.87363042  0.43392766  0.85428041
   0.93756696  0.41777329  0.64726180
   0.69262040  0.41467068  0.70083824
   0.79492442  0.11251309  0.97996101
   0.54808188  0.07808325  0.91144727
   0.57978536  0.54963879  0.08480597
   0.86736608  0.69222309  0.29858783
   0.60831367  0.80270745  0.03080691
   0.84747011  0.94769978  0.35924749
   0.92763040  0.86152548  0.17151326
   0.66620491  0.85070389  0.21960838
   0.82643625  0.61851688  0.48550983
   0.55765083  0.58136194  0.40995927
   0.60227782  0.60255151  0.59676357
   0.85929475  0.68965538  0.78466327
   0.63122489  0.81284511  0.45185318
   0.90823104  0.94181358  0.85443149
   0.89710774  0.86916309  0.65328441
   0.67799338  0.91451006  0.76173183
   0.79511858  0.61755058  0.97716380
   0.54494033  0.63835429  0.88940009
   0.71587371  0.92026598  0.58369312
   0.69227371  0.88397411  0.47166167
   0.92513526  0.17882306  0.14399010
   0.76341898  0.43626572  0.32397001
   0.25273750  0.11192646  0.68550065
   0.27057091  0.66121659  0.72454962
   0.04797725  1.11787786  0.16378245
   0.20702150  1.02271847 -0.01519550
   0.63086507  0.35920051  0.86126440
   0.89605815  0.48404153  0.69992912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.692249    0.130351   -0.035292
    -0.000000    9.897479   -0.063901
    -0.000000   -0.000000   13.751163
   Si   O    H 
    32    64    10
Direct configuration=   401
   0.16214832  0.16183980 -0.01708337
   0.41158702  0.07791761  0.39003072
   0.15226338  0.40157851  0.12607979
   0.39840179  0.33182850  0.25839154
   0.13944929  0.16055997  0.49635604
   0.41400813  0.13590631  0.86766822
   0.09493806  0.41927500  0.62976782
   0.33760829  0.36952738  0.75057068
   0.14477785  0.65366181  0.00343049
   0.39759850  0.58768048  0.37752543
   0.08681152  0.89571328  0.13406758
   0.34514989  0.84260482  0.25293866
   0.15332798  0.65897175  0.50075884
   0.37993967  0.61460881  0.87304011
   0.04913960  0.90248680  0.60661369
   0.28977609  0.97103441  0.71171482
   0.62736967  0.14121879  1.00145198
   0.87882526  0.10272328  0.38490755
   0.62238411  0.39329249  0.11565433
   0.89049582  0.29571054  0.21463041
   0.64398073  0.19154326  0.52765877
   0.89843305  0.10110104  0.88178446
   0.57805411  0.45070064  0.62670915
   0.74445166  0.34633156  0.79789785
   0.62832173  0.64708790 -0.00498927
   0.90381985  0.58971781  0.38025206
   0.57627460  0.89070219  0.12364858
   0.82341472  0.83955399  0.25880818
   0.65653354  0.65395353  0.49268129
   0.89540337  0.58821260  0.88239281
   0.60458846  0.98336789  0.66181968
   0.83755739  0.85475685  0.76674824
   0.11892360  0.06202177  0.13149988
   0.37670866  0.17702066  0.29608382
   0.09274740  0.29339815  0.04466877
   0.35546925  0.43913120  0.35020633
   0.55432649  0.35122172  0.21684647
   0.30384536  0.36750588  0.16613219
   0.29660431  0.10699448  0.48169132
   0.04461815  0.14830588  0.39325556
   0.05109224  0.06860280  0.56917173
   0.43299445  0.22424939  0.76569539
   0.13150886  0.32145011  0.53948314
   0.35601198  0.45053547  0.85163310
   0.42378496  0.43921199  0.66218667
   0.17097977  0.35852252  0.72954458
   0.31976634  0.21573324 -0.05078946
   0.05293186  0.16319014  0.89023932
   0.13557949  0.55699907  0.10092080
   0.37712826  0.68113692  0.28053835
   0.11571860  0.80773994  0.03392923
   0.38875136  0.92766851  0.34948595
   0.41255024  0.89033994  0.14800573
   0.17898042  0.83880900  0.23072900
   0.31321519  0.65078048  0.47080103
   0.07111096  0.62148616  0.40078221
   0.13607227  0.57662002  0.61130739
   0.33030946  0.70089482  0.77908910
   0.10420723  0.82074278  0.51237964
   0.33351168  0.99364734  0.82752292
   0.44593551  0.93483561  0.66749607
   0.15347857  0.87663591  0.69858242
   0.29779025  0.64348884 -0.02854120
   0.05186758  0.60674799  0.91014849
   0.61533610  0.05035870  0.10369986
   0.82303344  0.20652072  0.30020429
   0.59101719  0.29607399  0.02421924
   0.86806129  0.44496207  0.33069041
   0.04020091  0.36490777  0.21343189
   0.78274810  0.38718996  0.15077704
   0.78284557  0.15552383  0.47973267
   0.53855962  0.10899654  0.45695233
   0.62105161  0.14610586  0.64276715
   0.82385056  0.19361242  0.79796561
   0.60204832  0.35324777  0.52960971
   0.87187211  0.43287292  0.85449921
   0.93644926  0.42064293  0.64810183
   0.69310876  0.41724488  0.70094353
   0.79607801  0.11227233  0.98041973
   0.54672089  0.08015924  0.91158745
   0.58019364  0.54979266  0.08329176
   0.86890754  0.69265202  0.29813805
   0.60832869  0.80161227  0.03190593
   0.84758591  0.94620492  0.35799727
   0.92929488  0.85930033  0.17189760
   0.66725212  0.84939796  0.21960874
   0.82693693  0.61859644  0.48592078
   0.55872188  0.57974851  0.41083949
   0.60258132  0.60332438  0.59549635
   0.86053799  0.68919883  0.78529354
   0.63047981  0.81344413  0.45166639
   0.90673389  0.94252648  0.85410265
   0.89719931  0.86840089  0.65189263
   0.67887168  0.91490282  0.76196018
   0.79405545  0.61668720  0.97852334
   0.54567753  0.63653951  0.88972860
   0.70866797  0.92218650  0.57996142
   0.68634328  0.88029265  0.47172776
   0.92533221  0.17975183  0.14680624
   0.77757469  0.44237688  0.32615424
   0.25878849  0.11153036  0.68562673
   0.27520608  0.66674171  0.73065625
   0.04751131  1.11010952  0.16227227
   0.20597337  1.02327284 -0.01190844
   0.63901864  0.35986718  0.86773736
   0.89261281  0.47920126  0.69372009
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.692586    0.132245   -0.035065
    -0.000000    9.895497   -0.066945
    -0.000000   -0.000000   13.753007
   Si   O    H 
    32    64    10
Direct configuration=   402
   0.16229310  0.16311391 -0.01824963
   0.41081907  0.07810282  0.39028678
   0.15250697  0.40223851  0.12524375
   0.39728825  0.33176039  0.25837386
   0.13902365  0.16031113  0.49636254
   0.41330239  0.13572967  0.86728762
   0.09350701  0.41820220  0.62872588
   0.33637105  0.36868758  0.75009002
   0.14431390  0.65278972  0.00229418
   0.39744928  0.58915251  0.37811511
   0.08481633  0.89635387  0.13389751
   0.34552281  0.84305142  0.25363540
   0.15322618  0.65863308  0.50164565
   0.37925010  0.61512457  0.87207841
   0.04864456  0.90128918  0.60679041
   0.29103072  0.96975678  0.71211357
   0.62818869  0.14131695  1.00172410
   0.87934278  0.10250273  0.38461517
   0.62177092  0.39112014  0.11598017
   0.89150983  0.29521831  0.21467669
   0.64397509  0.19224928  0.52683068
   0.89917547  0.10098731  0.88252355
   0.57753206  0.45022952  0.62753207
   0.74434122  0.34509492  0.79798948
   0.62719130  0.64692069 -0.00525045
   0.90316565  0.58987090  0.38124125
   0.57596290  0.89019783  0.12406296
   0.82441666  0.83928055  0.25938444
   0.65713032  0.65386781  0.49256288
   0.89530446  0.58828282  0.88175840
   0.60406383  0.98319795  0.66138151
   0.83811230  0.85483789  0.76642542
   0.11864735  0.06190455  0.13090074
   0.37796844  0.17736513  0.29757508
   0.09466084  0.29281443  0.04457683
   0.35635264  0.44027517  0.34962983
   0.55287896  0.35263599  0.21796832
   0.30524318  0.36601046  0.16700271
   0.29676083  0.10572715  0.48079460
   0.04354107  0.14893119  0.39318017
   0.05039798  0.06769036  0.56835275
   0.43329603  0.22353484  0.76614990
   0.13132703  0.32114344  0.53988402
   0.35773733  0.44807120  0.85191461
   0.42343997  0.44072699  0.66412002
   0.17266830  0.35760353  0.72937665
   0.31685215  0.21690125 -0.05097951
   0.05277005  0.16285194  0.88929877
   0.13494180  0.55898658  0.10051112
   0.37759367  0.68208383  0.28026817
   0.11390010  0.80805809  0.03388408
   0.38885620  0.92732433  0.34983708
   0.41171729  0.89006975  0.14849433
   0.17959488  0.83932491  0.23035591
   0.31317638  0.64885882  0.47077689
   0.07022933  0.62082356  0.40151347
   0.13524856  0.57946968  0.61051287
   0.33002881  0.70174593  0.78015821
   0.10302271  0.82143625  0.51290565
   0.33251316  0.99223013  0.82811638
   0.44684173  0.93374515  0.66665124
   0.15264576  0.87777649  0.69927259
   0.29831443  0.64523295 -0.02778839
   0.04977986  0.60621624  0.91031992
   0.61350039  0.04828512  0.10265262
   0.82230965  0.20598782  0.30188194
   0.58925739  0.29469489  0.02446897
   0.86691494  0.44479266  0.33056671
   0.03910788  0.36331122  0.21337955
   0.78248462  0.38722058  0.15158786
   0.78341555  0.15530374  0.48012226
   0.53964429  0.10949417  0.45643342
   0.62302650  0.14549799  0.64334872
   0.82402925  0.19251582  0.79769297
   0.60248764  0.35273553  0.53048431
   0.87038424  0.43229302  0.85483995
   0.93582703  0.42360233  0.64916722
   0.69321605  0.41964097  0.70130354
   0.79640155  0.11258058  0.98073014
   0.54624338  0.08215777  0.91151952
   0.58024330  0.55004933  0.08206132
   0.86991304  0.69301799  0.29757345
   0.60806387  0.80068327  0.03256367
   0.84699764  0.94493943  0.35693796
   0.93055711  0.85766569  0.17200837
   0.66824719  0.84845533  0.21962353
   0.82679188  0.61900276  0.48597623
   0.55975047  0.57867302  0.41145805
   0.60311752  0.60428608  0.59466237
   0.86190850  0.68943216  0.78565465
   0.62906144  0.81303288  0.45212533
   0.90603510  0.94371048  0.85401584
   0.89721195  0.86814230  0.65093589
   0.67992825  0.91533667  0.76224258
   0.79318065  0.61613478  0.97969909
   0.54638059  0.63431099  0.89025355
   0.69417502  0.93062727  0.57747970
   0.69117622  0.88735353  0.47674625
   0.92274886  0.17907360  0.15088570
   0.77155052  0.44530818  0.32666714
   0.26179736  0.10921961  0.68519305
   0.27077838  0.66458495  0.72997239
   0.03826859  1.11025031  0.16929463
   0.20735099  1.01815152 -0.01025022
   0.64556159  0.36081209  0.87562495
   0.88903494  0.47806761  0.68925196
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.693419    0.134228   -0.035155
    -0.000000    9.893236   -0.070189
    -0.000000   -0.000000   13.755187
   Si   O    H 
    32    64    10
Direct configuration=   403
   0.16253442  0.16431332 -0.01909362
   0.40950234  0.07854430  0.39030221
   0.15253347  0.40232948  0.12490713
   0.39679932  0.33206357  0.25858111
   0.13869918  0.16030035  0.49615256
   0.41243198  0.13478601  0.86671977
   0.09184116  0.41741729  0.62821168
   0.33476383  0.36744712  0.75008371
   0.14372427  0.65157118  0.00142438
   0.39783866  0.59040209  0.37853627
   0.08331606  0.89681964  0.13412499
   0.34557588  0.84244845  0.25407521
   0.15342436  0.65798880  0.50270407
   0.37848713  0.61528403  0.87153553
   0.04862068  0.90069330  0.60694695
   0.29237197  0.96831424  0.71278148
   0.62875851  0.14092899  1.00208366
   0.87932549  0.10230244  0.38459042
   0.62114547  0.38932958  0.11667864
   0.89240892  0.29462790  0.21488375
   0.64316114  0.19273228  0.52653260
   0.89917660  0.10135685  0.88310460
   0.57684486  0.44997060  0.62809133
   0.74407783  0.34408456  0.79877933
   0.62618967  0.64668369 -0.00568169
   0.90353536  0.59005727  0.38255832
   0.57567905  0.88975145  0.12471602
   0.82531268  0.83904786  0.26039307
   0.65743762  0.65428630  0.49254356
   0.89482080  0.58872719  0.88112194
   0.60429479  0.98325271  0.66089062
   0.83863998  0.85463847  0.76595175
   0.11804167  0.06159353  0.13009782
   0.37924810  0.17852288  0.29927430
   0.09643664  0.29238957  0.04445437
   0.35762088  0.44057872  0.34905773
   0.55065037  0.35384620  0.21935187
   0.30636712  0.36533323  0.16740640
   0.29704338  0.10485310  0.48025379
   0.04350710  0.14936261  0.39346232
   0.05018897  0.06670306  0.56835581
   0.43307606  0.22342947  0.76699176
   0.13220477  0.32052409  0.54011367
   0.35962792  0.44631932  0.85235268
   0.42288769  0.44289564  0.66633019
   0.17408117  0.35653504  0.72951723
   0.31412787  0.21784800 -0.05194168
   0.05291227  0.16256073  0.88828063
   0.13427017  0.56132890  0.10011838
   0.37858148  0.68282043  0.28002646
   0.11121983  0.80833049  0.03459686
   0.38957456  0.92741626  0.34978169
   0.41046249  0.89001707  0.14906031
   0.18040893  0.83966586  0.22995605
   0.31339275  0.64681366  0.47070778
   0.06925497  0.62026470  0.40230850
   0.13457908  0.58233008  0.60921987
   0.32956171  0.70308516  0.78112782
   0.10141473  0.82176150  0.51332889
   0.33121913  0.99073891  0.82926540
   0.44749866  0.93272268  0.66607910
   0.15218792  0.87853222  0.69967904
   0.29886196  0.64692963 -0.02698082
   0.04811703  0.60558511  0.91021798
   0.61156371  0.04670773  0.10108872
   0.82304650  0.20512443  0.30342482
   0.58677952  0.29328393  0.02476670
   0.86584918  0.44444963  0.33060711
   0.03853802  0.36243597  0.21351124
   0.78158553  0.38751905  0.15248035
   0.78533307  0.15438972  0.48040062
   0.54076891  0.10972388  0.45612752
   0.62501049  0.14443616  0.64335322
   0.82411474  0.19102504  0.79742936
   0.60253243  0.35310280  0.53157286
   0.86942185  0.43191276  0.85431818
   0.93551961  0.42487793  0.64967223
   0.69384695  0.42164917  0.70175281
   0.79754563  0.11299162  0.98111330
   0.54718134  0.08346753  0.91103682
   0.58011572  0.54999240  0.08147228
   0.86940660  0.69347105  0.29685484
   0.60751962  0.79900473  0.03291156
   0.84616153  0.94331259  0.35633062
   0.93178177  0.85706584  0.17171429
   0.66957675  0.84779722  0.21955750
   0.82714396  0.61986257  0.48601850
   0.56143964  0.57814148  0.41179927
   0.60285838  0.60522796  0.59391371
   0.86368236  0.68921685  0.78641733
   0.62829319  0.81236381  0.45277308
   0.90518423  0.94410014  0.85360857
   0.89672695  0.86709867  0.65041568
   0.68050299  0.91476222  0.76203607
   0.79202198  0.61562189  0.98017235
   0.54667764  0.63275429  0.89074650
   0.67542925  0.93789405  0.57753252
   0.69073466  0.88577534  0.48376398
   0.92009871  0.17565237  0.15170683
   0.76138528  0.44499050  0.32608370
   0.26072053  0.10532590  0.68205168
   0.26439916  0.66056736  0.72622062
   0.03405381  1.11238000  0.17270490
   0.20866888  1.01094692 -0.00681904
   0.64531267  0.36013872  0.88064918
   0.87867801  0.48867378  0.69056675
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.694063    0.136240   -0.035323
    -0.000000    9.890923   -0.073669
    -0.000000   -0.000000   13.757517
   Si   O    H 
    32    64    10
Direct configuration=   404
   0.16298537  0.16460123 -0.01961373
   0.40732792  0.07888635  0.39061120
   0.15257136  0.40273278  0.12473304
   0.39736706  0.33232109  0.25878668
   0.13862943  0.15980017  0.49559861
   0.41134110  0.13317928  0.86614727
   0.09028283  0.41654993  0.62763163
   0.33369468  0.36599121  0.75046514
   0.14344038  0.65040486  0.00036636
   0.39902017  0.59187101  0.37881741
   0.08145584  0.89647312  0.13441650
   0.34563187  0.84146339  0.25409777
   0.15282743  0.65874163  0.50289081
   0.37744542  0.61541393  0.87110241
   0.04805842  0.90037835  0.60709275
   0.29374153  0.96726354  0.71346525
   0.63001130  0.13971323  1.00286272
   0.87895577  0.10266648  0.38441424
   0.62048860  0.38750868  0.11754129
   0.89365745  0.29394565  0.21510461
   0.64223210  0.19290614  0.52650431
   0.89916895  0.10105594  0.88322135
   0.57591287  0.44970655  0.62848205
   0.74391463  0.34333252  0.79948263
   0.62605438  0.64663794 -0.00622827
   0.90408680  0.59024341  0.38365733
   0.57545009  0.88956520  0.12554566
   0.82598547  0.83933406  0.26107049
   0.65779581  0.65473625  0.49224268
   0.89423981  0.58887887  0.88031569
   0.60452001  0.98326773  0.66068085
   0.83859496  0.85420244  0.76547132
   0.11659086  0.06184049  0.12954725
   0.38100249  0.17976094  0.30127828
   0.09754056  0.29222059  0.04437354
   0.35835945  0.44040276  0.34849308
   0.54833012  0.35527193  0.22049736
   0.30678240  0.36503335  0.16760280
   0.29688728  0.10356387  0.47944742
   0.04377923  0.15005144  0.39381867
   0.05039435  0.06557664  0.56851172
   0.43227494  0.22366202  0.76853519
   0.13380821  0.31962632  0.54001687
   0.36190374  0.44490099  0.85256417
   0.42267127  0.44545470  0.66800175
   0.17523064  0.35551594  0.72952351
   0.31114930  0.21814820 -0.05285938
   0.05248653  0.16215368  0.88755603
   0.13322071  0.56283487  0.09994834
   0.37924925  0.68322283  0.27918349
   0.10816265  0.80876885  0.03535238
   0.39087903  0.92806923  0.35012221
   0.40855792  0.88978444  0.14996432
   0.18053826  0.84042090  0.22912175
   0.31418798  0.64502840  0.47107355
   0.06735906  0.62004784  0.40295809
   0.13372553  0.58397049  0.60855434
   0.32887487  0.70339085  0.78124280
   0.10105697  0.82225299  0.51364914
   0.33088409  0.98968852  0.83081577
   0.44771710  0.93179692  0.66576591
   0.15223077  0.87897519  0.70021538
   0.30074132  0.64769315 -0.02652032
   0.04738420  0.60515564  0.91038056
   0.60941749  0.04518172  0.10003490
   0.82335247  0.20452658  0.30435634
   0.58475328  0.29164335  0.02567424
   0.86449674  0.44465324  0.33081623
   0.03839719  0.36159991  0.21312673
   0.77996539  0.38725540  0.15322818
   0.78780293  0.15327995  0.48024985
   0.54176141  0.10929615  0.45622379
   0.62544454  0.14416847  0.64338943
   0.82416282  0.18957691  0.79689309
   0.60173057  0.35410775  0.53255251
   0.86762666  0.43157407  0.85427938
   0.93522034  0.42579479  0.65010218
   0.69482190  0.42457938  0.70284728
   0.79868149  0.11365161  0.98115708
   0.54862883  0.08459768  0.91046139
   0.57980195  0.55010648  0.08128661
   0.86841809  0.69409747  0.29625217
   0.60683514  0.79764540  0.03327141
   0.84566118  0.94278653  0.35590025
   0.93195872  0.85705931  0.17108386
   0.67102581  0.84770497  0.21899298
   0.82747940  0.62145329  0.48605543
   0.56370753  0.57663987  0.41140467
   0.60264836  0.60644938  0.59294354
   0.86461517  0.68926838  0.78721139
   0.62800598  0.81161615  0.45329863
   0.90485169  0.94455934  0.85380597
   0.89542023  0.86690709  0.64951782
   0.68088266  0.91486217  0.76152912
   0.79187943  0.61527165  0.98021812
   0.54600689  0.63096798  0.89142067
   0.65867181  0.94455825  0.57624673
   0.68208751  0.87619105  0.48646069
   0.91631351  0.16928174  0.15030951
   0.75867403  0.44009939  0.32459886
   0.25665102  0.10010053  0.67799843
   0.26552291  0.65789168  0.72629574
   0.03607330  1.11045323  0.16964574
   0.20685424  1.00895743 -0.00408493
   0.64258324  0.35768550  0.88201903
   0.87426167  0.49561956  0.68753867
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.694668    0.138336   -0.035858
    -0.000000    9.888370   -0.077673
    -0.000000   -0.000000   13.759993
   Si   O    H 
    32    64    10
Direct configuration=   405
   0.16340966  0.16486338 -0.02017163
   0.40517454  0.07861285  0.39061973
   0.15266069  0.40368388  0.12473513
   0.39770739  0.33280313  0.25944919
   0.13850473  0.15985520  0.49538244
   0.41004135  0.13200860  0.86524395
   0.08961375  0.41575738  0.62709200
   0.33313369  0.36406456  0.75093155
   0.14256379  0.64959029 -0.00065741
   0.40051721  0.59307938  0.37912766
   0.07996335  0.89587749  0.13462203
   0.34494672  0.84040440  0.25423921
   0.15180059  0.65971776  0.50310721
   0.37658121  0.61523998  0.87059937
   0.04753897  0.90028660  0.60731742
   0.29548728  0.96639405  0.71381816
   0.63244850  0.13809592  1.00325839
   0.87829979  0.10368416  0.38422252
   0.61980567  0.38634283  0.11856333
   0.89482681  0.29341519  0.21508419
   0.64084586  0.19280276  0.52648140
   0.89872106  0.10113405  0.88389043
   0.57482093  0.44947895  0.62815915
   0.74384029  0.34268571  0.80022536
   0.62593785  0.64569858 -0.00665272
   0.90484269  0.59047050  0.38475147
   0.57507875  0.88985765  0.12672192
   0.82725745  0.83982665  0.26166491
   0.65860800  0.65560165  0.49183621
   0.89304433  0.58925155  0.87975141
   0.60535757  0.98330665  0.66101515
   0.83854409  0.85360914  0.76516138
   0.11396989  0.06164197  0.12914356
   0.38241213  0.18108277  0.30248457
   0.09782254  0.29243721  0.04414535
   0.35945986  0.43911213  0.34811544
   0.54663106  0.35640722  0.22086699
   0.30631982  0.36551656  0.16768593
   0.29631650  0.10263153  0.47873622
   0.04453944  0.15050175  0.39408904
   0.05120510  0.06363077  0.56938008
   0.43162511  0.22435390  0.76958963
   0.13558256  0.31757918  0.53924254
   0.36418878  0.44416605  0.85359379
   0.42303965  0.44765687  0.66938840
   0.17572975  0.35477001  0.72891398
   0.30830564  0.21857418 -0.05436151
   0.05178593  0.16187529  0.88687581
   0.13292058  0.56335762  0.09950764
   0.37958777  0.68360792  0.27907370
   0.10489080  0.80897202  0.03575522
   0.39197104  0.92822668  0.35001700
   0.40831806  0.88968256  0.15078853
   0.18015476  0.84086484  0.22826881
   0.31409036  0.64294636  0.47188473
   0.06496617  0.62005720  0.40398166
   0.13269399  0.58489451  0.60817870
   0.32713609  0.70304627  0.78050291
   0.10018920  0.82146883  0.51373069
   0.33049106  0.98989774  0.83242750
   0.44813853  0.93097656  0.66504891
   0.15243086  0.87872230  0.70043361
   0.30299159  0.64807306 -0.02622816
   0.04807964  0.60383538  0.91109017
   0.60813516  0.04395989  0.09957874
   0.82264265  0.20370329  0.30517831
   0.58387454  0.29051450  0.02599257
   0.86292118  0.44532376  0.33072605
   0.03912643  0.36132387  0.21222165
   0.77879795  0.38692515  0.15449670
   0.79030331  0.15179787  0.48042820
   0.54198610  0.10836178  0.45579613
   0.62608185  0.14366940  0.64299056
   0.82448241  0.18695702  0.79615094
   0.60071073  0.35421917  0.53337701
   0.86545134  0.43169105  0.85340874
   0.93385259  0.42748260  0.65028134
   0.69522599  0.42731429  0.70434567
   0.79920027  0.11488682  0.98134298
   0.54968968  0.08527992  0.91064897
   0.58000882  0.54972484  0.08098887
   0.86757077  0.69389175  0.29608780
   0.60593198  0.79696436  0.03389589
   0.84539940  0.94147639  0.35593409
   0.93237163  0.85735857  0.17042153
   0.67245152  0.84817433  0.21819609
   0.82700294  0.62295100  0.48587978
   0.56567615  0.57526832  0.41097584
   0.60250131  0.60761430  0.59174764
   0.86562765  0.68954864  0.78815706
   0.62724687  0.81058150  0.45429735
   0.90471890  0.94542450  0.85397725
   0.89400459  0.86592328  0.64922942
   0.68090658  0.91512883  0.76080772
   0.79179421  0.61506737  0.97976245
   0.54462345  0.62914970  0.89155992
   0.65198184  0.94912267  0.56814482
   0.67942930  0.86866867  0.48812108
   0.90854814  0.16386057  0.14869528
   0.76737360  0.43901722  0.32534912
   0.25159440  0.09343856  0.67433919
   0.27197022  0.65878334  0.73432637
   0.04387513  1.10635695  0.16327525
   0.20655122  1.01287191 -0.00385637
   0.63856270  0.35415742  0.87881209
   0.87692666  0.49371862  0.68161287
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.695533    0.140251   -0.036808
    -0.000000    9.885642   -0.081364
    -0.000000   -0.000000   13.762361
   Si   O    H 
    32    64    10
Direct configuration=   406
   0.16364066  0.16531350 -0.02025831
   0.40341331  0.07753954  0.39043127
   0.15157180  0.40442145  0.12516221
   0.39771727  0.33365772  0.25985824
   0.13849074  0.16054096  0.49511893
   0.40843171  0.13044478  0.86451830
   0.08903781  0.41478842  0.62674172
   0.33395248  0.36309940  0.75158586
   0.14209550  0.64903779 -0.00114985
   0.40268160  0.59348830  0.37927303
   0.07915999  0.89566781  0.13501391
   0.34390870  0.83895083  0.25453056
   0.15090917  0.66065007  0.50307284
   0.37589130  0.61474791  0.87019536
   0.04734315  0.90036568  0.60747383
   0.29719108  0.96586376  0.71464717
   0.63518011  0.13597082  1.00418683
   0.87811125  0.10511727  0.38450342
   0.61931630  0.38602256  0.11974582
   0.89542491  0.29266889  0.21521538
   0.63973125  0.19312915  0.52634293
   0.89775397  0.10128167  0.88442970
   0.57397927  0.44981385  0.62822166
   0.74401038  0.34220389  0.80138264
   0.62618178  0.64482720 -0.00681756
   0.90515327  0.59155221  0.38562587
   0.57466371  0.89050195  0.12784352
   0.82885270  0.84041140  0.26241478
   0.65978434  0.65635063  0.49146677
   0.89155718  0.59033241  0.87932058
   0.60662577  0.98316701  0.66158465
   0.83953973  0.85372825  0.76499192
   0.11253987  0.06054634  0.12866288
   0.38440353  0.18262163  0.30306308
   0.09897135  0.29328906  0.04401508
   0.36025863  0.43771703  0.34744502
   0.54521586  0.35681269  0.22099322
   0.30533388  0.36564103  0.16713587
   0.29515298  0.10199499  0.47834523
   0.04519742  0.15051353  0.39387598
   0.05283222  0.06268111  0.57007234
   0.43136334  0.22517351  0.77074456
   0.13775374  0.31506411  0.53851838
   0.36607473  0.44384855  0.85425224
   0.42264690  0.44977227  0.67056779
   0.17548987  0.35446261  0.72753351
   0.30724988  0.21956625 -0.05589265
   0.05132752  0.16099703  0.88661075
   0.13306691  0.56305799  0.09880016
   0.37949335  0.68434886  0.27974055
   0.10246630  0.80981745  0.03618956
   0.39335003  0.92813304  0.34930456
   0.40819855  0.88919239  0.15117300
   0.18016505  0.84221495  0.22764860
   0.31421878  0.64232436  0.47237555
   0.06327603  0.61981950  0.40524415
   0.13240959  0.58613546  0.60793167
   0.32578874  0.70217721  0.77983053
   0.10011673  0.81934877  0.51390159
   0.33003665  0.98979285  0.83353143
   0.44768787  0.93066134  0.66385390
   0.15314051  0.87858408  0.70113625
   0.30501266  0.64777963 -0.02584691
   0.04887640  0.60286903  0.91156953
   0.60670121  0.04334399  0.09898154
   0.82169227  0.20363997  0.30540487
   0.58404960  0.28903293  0.02605609
   0.86217452  0.44571106  0.33123248
   0.03998054  0.36054818  0.21098693
   0.77764552  0.38647925  0.15572199
   0.79190198  0.15048572  0.48087917
   0.54192088  0.10810378  0.45490737
   0.62718433  0.14339512  0.64279660
   0.82362108  0.18480964  0.79540802
   0.59954984  0.35348900  0.53458221
   0.86320976  0.43088846  0.85257806
   0.93207540  0.42835350  0.65058867
   0.69650095  0.42966982  0.70535705
   0.80017893  0.11649893  0.98164416
   0.55112804  0.08571858  0.91134650
   0.58039846  0.54855887  0.08109362
   0.86678292  0.69411939  0.29566483
   0.60559235  0.79622248  0.03478649
   0.84469868  0.94107291  0.35577072
   0.93181626  0.85840605  0.16965427
   0.67333296  0.84868524  0.21738858
   0.82644020  0.62435496  0.48612974
   0.56688438  0.57512175  0.41041455
   0.60204359  0.60828774  0.59109265
   0.86669964  0.68926872  0.78886602
   0.62533884  0.80891225  0.45435148
   0.90525684  0.94573960  0.85377924
   0.89263908  0.86561362  0.64885080
   0.68038842  0.91471697  0.75986669
   0.79127052  0.61437196  0.97913135
   0.54312789  0.62764331  0.89188317
   0.64634656  0.94826547  0.55952437
   0.68334969  0.87624313  0.49352253
   0.90248463  0.16496914  0.14992100
   0.76707926  0.43685795  0.32555701
   0.24601121  0.09151059  0.67209526
   0.27306542  0.65418280  0.73616173
   0.03853182  1.11294858  0.16206218
   0.20438379  1.01948161 -0.00433403
   0.63033590  0.34877316  0.87196146
   0.87874329  0.48853582  0.67561450
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.696273    0.143040   -0.037456
    -0.000000    9.882955   -0.085038
    -0.000000   -0.000000   13.764368
   Si   O    H 
    32    64    10
Direct configuration=   407
   0.16380220  0.16632824 -0.02010544
   0.40209228  0.07690978  0.39010041
   0.15100846  0.40492505  0.12579382
   0.39717387  0.33457541  0.26069429
   0.13887955  0.16171931  0.49472687
   0.40640399  0.12878390  0.86416671
   0.08899459  0.41397907  0.62604568
   0.33508306  0.36176553  0.75274217
   0.14241126  0.64846725 -0.00148241
   0.40471070  0.59323039  0.37957462
   0.07895665  0.89536368  0.13564683
   0.34196467  0.83779504  0.25451123
   0.15034349  0.66123674  0.50326893
   0.37562875  0.61406279  0.86998990
   0.04714784  0.90106300  0.60811371
   0.29873636  0.96565087  0.71561373
   0.63848504  0.13374198  1.00488369
   0.87824147  0.10613455  0.38457765
   0.61874084  0.38623856  0.12093669
   0.89551175  0.29185604  0.21567363
   0.63940964  0.19302621  0.52671501
   0.89705794  0.10215125  0.88480654
   0.57328385  0.45066801  0.62785858
   0.74494135  0.34182257  0.80249615
   0.62649116  0.64427086 -0.00655033
   0.90610550  0.59269559  0.38601641
   0.57388667  0.89120383  0.12843836
   0.83026641  0.84182060  0.26269651
   0.66042495  0.65703232  0.49076550
   0.89043478  0.59110243  0.87928311
   0.60690676  0.98213950  0.66203244
   0.84040741  0.85361933  0.76480013
   0.11163766  0.05948260  0.12836318
   0.38654031  0.18423727  0.30294891
   0.10107717  0.29411868  0.04341122
   0.36081862  0.43630807  0.34717300
   0.54439892  0.35754176  0.22165627
   0.30310646  0.36540618  0.16645037
   0.29340992  0.10124620  0.47837565
   0.04599253  0.15014030  0.39353482
   0.05508104  0.06216832  0.57131091
   0.43043674  0.22582724  0.77166830
   0.13996462  0.31322003  0.53802974
   0.36713464  0.44373949  0.85390652
   0.42055398  0.45178984  0.67182700
   0.17498593  0.35438018  0.72546230
   0.30690065  0.21913945 -0.05788106
   0.05087885  0.15943572  0.88637206
   0.13292838  0.56217532  0.09839358
   0.37991173  0.68483860  0.28038982
   0.09971985  0.81058260  0.03664364
   0.39441509  0.92799538  0.34842297
   0.40823729  0.88948149  0.15150006
   0.18051702  0.84343593  0.22696350
   0.31447032  0.64227758  0.47302502
   0.06302131  0.61888868  0.40635925
   0.13234610  0.58642007  0.60767577
   0.32486182  0.70190299  0.77902495
   0.09997212  0.81706702  0.51357865
   0.32911477  0.99033195  0.83446093
   0.44751119  0.93060483  0.66266288
   0.15420718  0.87768320  0.70114100
   0.30730715  0.64802441 -0.02563687
   0.04998095  0.60200433  0.91156909
   0.60574150  0.04344516  0.09884887
   0.82122045  0.20424860  0.30487350
   0.58353494  0.28893173  0.02587058
   0.86226788  0.44657453  0.33282670
   0.04103718  0.35948203  0.20945759
   0.77733003  0.38561156  0.15705836
   0.79420115  0.14982029  0.48161802
   0.54085514  0.10754845  0.45368202
   0.62833633  0.14363379  0.64234221
   0.82204938  0.18323316  0.79395923
   0.59839600  0.35329936  0.53587087
   0.86164558  0.43090628  0.85197960
   0.93155450  0.42768492  0.65009587
   0.69769535  0.43239376  0.70670434
   0.80127385  0.11805674  0.98233243
   0.55328475  0.08473659  0.91264353
   0.58016369  0.54728922  0.08128272
   0.86620605  0.69381674  0.29607924
   0.60548965  0.79549267  0.03616355
   0.84423759  0.94070440  0.35610857
   0.93095412  0.86001733  0.16851716
   0.67497215  0.85032443  0.21660483
   0.82596815  0.62521604  0.48663990
   0.56832509  0.57488274  0.40983286
   0.60201788  0.60842610  0.59140674
   0.86706017  0.68880102  0.78981544
   0.62399056  0.80724061  0.45495110
   0.90531390  0.94453605  0.85303831
   0.89150778  0.86441133  0.64866918
   0.67970534  0.91457460  0.75940370
   0.79097325  0.61382358  0.97809303
   0.54175399  0.62647287  0.89241645
   0.64300849  0.94456999  0.55557832
   0.68384437  0.88178087  0.49496001
   0.89593821  0.17112015  0.15420548
   0.75734672  0.43781156  0.32572601
   0.24066342  0.08956330  0.66972601
   0.26587034  0.64615932  0.73034504
   0.03063112  1.12056082  0.16084569
   0.20080751  1.02828987 -0.00516331
   0.62344629  0.34242059  0.86348602
   0.85887581  0.50795714  0.68065972
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.697218    0.146203   -0.037920
    -0.000000    9.879910   -0.089152
    -0.000000   -0.000000   13.766131
   Si   O    H 
    32    64    10
Direct configuration=   408
   0.16325547  0.16726285 -0.01996336
   0.40134490  0.07685380  0.38998502
   0.15123072  0.40490317  0.12657482
   0.39595244  0.33503893  0.26129145
   0.13947493  0.16220857  0.49440220
   0.40480357  0.12734912  0.86410419
   0.08957707  0.41283220  0.62570866
   0.33661153  0.36135914  0.75374923
   0.14338630  0.64863598 -0.00127547
   0.40730614  0.59239620  0.37997490
   0.07928304  0.89471332  0.13641761
   0.34034566  0.83657933  0.25452616
   0.14916974  0.66222663  0.50336254
   0.37647045  0.61263899  0.86994480
   0.04691540  0.90238590  0.60858962
   0.30024987  0.96625436  0.71665502
   0.64141594  0.13137180  1.00575034
   0.87894289  0.10645411  0.38450589
   0.61821746  0.38709703  0.12224406
   0.89481990  0.29145590  0.21599641
   0.63943267  0.19260059  0.52680526
   0.89608596  0.10334326  0.88468923
   0.57290180  0.45217537  0.62802668
   0.74511216  0.34067943  0.80325827
   0.62651609  0.64389898 -0.00575872
   0.90640562  0.59330246  0.38637724
   0.57327883  0.89175951  0.12877604
   0.83091973  0.84242990  0.26252247
   0.66066217  0.65737737  0.48964753
   0.88912318  0.59223483  0.87934540
   0.60763311  0.98156773  0.66219057
   0.84073240  0.85303165  0.76516658
   0.11014271  0.05971673  0.12853911
   0.38821586  0.18554532  0.30294138
   0.10314606  0.29565959  0.04319345
   0.36137282  0.43477302  0.34703840
   0.54430322  0.35958884  0.22265625
   0.30057829  0.36522565  0.16573984
   0.29116614  0.10086928  0.47858161
   0.04648928  0.15088390  0.39326178
   0.05698729  0.06145951  0.57278789
   0.42940994  0.22664563  0.77236712
   0.14178148  0.31211033  0.53715365
   0.36761195  0.44390903  0.85363521
   0.41816355  0.45291504  0.67316657
   0.17408555  0.35488745  0.72340674
   0.30720813  0.21823815 -0.05974093
   0.05122981  0.15634224  0.88680232
   0.13310576  0.56193843  0.09836094
   0.38065366  0.68591808  0.28050046
   0.09682284  0.81096565  0.03702062
   0.39559754  0.92745576  0.34834701
   0.40871847  0.88857053  0.15185001
   0.18016319  0.84517881  0.22656439
   0.31479048  0.64213378  0.47306767
   0.06317996  0.61739401  0.40727418
   0.13150865  0.58526428  0.60704410
   0.32362787  0.70136717  0.77803285
   0.09989551  0.81453597  0.51331665
   0.32814687  0.99028839  0.83515861
   0.44689218  0.93057533  0.66169486
   0.15561194  0.87691591  0.70102669
   0.30967151  0.64809208 -0.02580413
   0.05106312  0.60148539  0.91125136
   0.60484667  0.04376815  0.09842449
   0.82056279  0.20605210  0.30416707
   0.58387013  0.28868300  0.02654906
   0.86179490  0.44739917  0.33441525
   0.04230685  0.35941788  0.20828059
   0.77730536  0.38412602  0.15793117
   0.79599003  0.14945977  0.48266626
   0.54027355  0.10675092  0.45272806
   0.62987454  0.14396533  0.64181689
   0.82140213  0.18230791  0.79216861
   0.59735264  0.35266708  0.53663438
   0.86146096  0.43196699  0.85138831
   0.93013142  0.42716045  0.64972634
   0.69913331  0.43508037  0.70806372
   0.80283982  0.12009875  0.98327035
   0.55461534  0.08323927  0.91374788
   0.58009940  0.54601889  0.08145420
   0.86551173  0.69332661  0.29645554
   0.60537084  0.79508393  0.03752086
   0.84401777  0.94197316  0.35702764
   0.92872411  0.86070258  0.16755065
   0.67555299  0.85084718  0.21575299
   0.82639375  0.62609164  0.48706548
   0.56967726  0.57471861  0.40942210
   0.60215836  0.60821552  0.59191715
   0.86681191  0.68873703  0.78999531
   0.62165254  0.80601731  0.45553668
   0.90615096  0.94327839  0.85239973
   0.89110458  0.86274735  0.64842630
   0.67998859  0.91419847  0.75855064
   0.79103503  0.61276170  0.97659271
   0.54043879  0.62518535  0.89215311
   0.64534518  0.94211024  0.55926327
   0.68061059  0.87838423  0.48961059
   0.89489538  0.17440290  0.15836191
   0.75434900  0.43755390  0.32880920
   0.24005290  0.08433854  0.67136714
   0.26543701  0.64237061  0.72698110
   0.02697120  1.12082829  0.15715113
   0.20167253  1.03045604 -0.00467554
   0.61929638  0.33367080  0.85625658
   0.85286470  0.51889164  0.68062988
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.697868    0.149580   -0.038500
    -0.000000    9.877018   -0.093498
    -0.000000   -0.000000   13.768226
   Si   O    H 
    32    64    10
Direct configuration=   409
   0.16197233  0.16834361 -0.02059767
   0.40060652  0.07788541  0.38941038
   0.15079735  0.40511498  0.12719880
   0.39418041  0.33474345  0.26176765
   0.13901730  0.16291939  0.49440352
   0.40352685  0.12627134  0.86429318
   0.09016827  0.41216545  0.62532154
   0.33813811  0.36156959  0.75425072
   0.14410029  0.64988846 -0.00083421
   0.40953176  0.59120555  0.38007636
   0.07975458  0.89390134  0.13735370
   0.33836712  0.83515683  0.25444582
   0.14830776  0.66296993  0.50348173
   0.37762223  0.61039312  0.87019792
   0.04723983  0.90399268  0.60885755
   0.30177962  0.96676290  0.71723268
   0.64430041  0.12964373  1.00663246
   0.87975584  0.10677490  0.38455665
   0.61794449  0.38776846  0.12357538
   0.89373948  0.29089275  0.21620290
   0.63990689  0.19202008  0.52685356
   0.89510538  0.10410006  0.88432057
   0.57288672  0.45338293  0.62863008
   0.74521337  0.33874470  0.80382514
   0.62688214  0.64366923 -0.00507499
   0.90629947  0.59372535  0.38683503
   0.57310430  0.89222435  0.12879103
   0.83090632  0.84303015  0.26240052
   0.66067311  0.65691172  0.48847595
   0.88765160  0.59290673  0.87940230
   0.60845229  0.98042913  0.66216105
   0.84081447  0.85253742  0.76505170
   0.10844246  0.06053498  0.12873179
   0.38903231  0.18675391  0.30291693
   0.10488310  0.29713185  0.04263253
   0.36130677  0.43350608  0.34758414
   0.54453618  0.36071887  0.22384819
   0.29776605  0.36472538  0.16520969
   0.28933220  0.10048681  0.47842826
   0.04675206  0.15295489  0.39303919
   0.05955685  0.06101230  0.57388512
   0.42854701  0.22666835  0.77264113
   0.14315923  0.31138837  0.53614082
   0.36776853  0.44411911  0.85318945
   0.41607121  0.45362731  0.67427049
   0.17309065  0.35523005  0.72127560
   0.30840330  0.21703705 -0.06176237
   0.05276561  0.15267175  0.88703578
   0.13300432  0.56173977  0.09795456
   0.38251436  0.68594887  0.28059199
   0.09427484  0.81078385  0.03688307
   0.39704026  0.92693741  0.34771809
   0.40991374  0.88755388  0.15253631
   0.18072537  0.84660961  0.22637611
   0.31465149  0.64257589  0.47317781
   0.06323227  0.61570998  0.40804417
   0.13016755  0.58324738  0.60666918
   0.32175712  0.70024064  0.77708519
   0.10011777  0.81149106  0.51342230
   0.32687987  0.99055531  0.83476733
   0.44627030  0.93032976  0.66153526
   0.15593665  0.87540185  0.70019827
   0.31151675  0.64784789 -0.02586040
   0.05230909  0.60091622  0.91041739
   0.60378155  0.04447238  0.09842831
   0.81968974  0.20696111  0.30367758
   0.58393674  0.28784368  0.02761341
   0.86058173  0.44771462  0.33611676
   0.04322194  0.35939302  0.20784430
   0.77709174  0.38302919  0.15881974
   0.79731703  0.14854786  0.48436551
   0.53982805  0.10616913  0.45210531
   0.63082721  0.14429648  0.64144985
   0.82109318  0.18209462  0.79062657
   0.59696788  0.35205142  0.53668122
   0.86190738  0.43290841  0.85140155
   0.92759250  0.42609837  0.65007839
   0.70103122  0.43761996  0.70928726
   0.80448454  0.12135838  0.98444431
   0.55637964  0.08155495  0.91482259
   0.57996557  0.54436022  0.08114904
   0.86457298  0.69233763  0.29712134
   0.60509932  0.79449028  0.03898257
   0.84489361  0.94347195  0.35796685
   0.92555922  0.86107978  0.16729464
   0.67691354  0.85086499  0.21529102
   0.82751550  0.62756770  0.48750567
   0.57111791  0.57382851  0.40874663
   0.60275627  0.60757784  0.59246804
   0.86608980  0.68934464  0.78952004
   0.61927377  0.80596670  0.45559594
   0.90681742  0.94171160  0.85165092
   0.89075255  0.86029093  0.64829322
   0.68096784  0.91316967  0.75749426
   0.79053762  0.61194935  0.97456365
   0.53966443  0.62378246  0.89199177
   0.64640958  0.94360976  0.56828795
   0.67583650  0.87185422  0.48022313
   0.90166711  0.16917475  0.15710904
   0.76039472  0.44214543  0.33199859
   0.24656873  0.08142891  0.67562143
   0.27020026  0.64821665  0.72753969
   0.03323939  1.11700530  0.15263741
   0.20338109  1.02790623 -0.00423193
   0.61410335  0.32655621  0.85092510
   0.85683038  0.52208658  0.67654588
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.698531    0.152508   -0.039051
    -0.000000    9.873927   -0.098101
    -0.000000   -0.000000   13.770314
   Si   O    H 
    32    64    10
Direct configuration=   410
   0.16089795  0.16885664 -0.02131368
   0.39979160  0.07883263  0.38874606
   0.15071851  0.40500338  0.12774146
   0.39158066  0.33440346  0.26195143
   0.13775725  0.16256453  0.49424629
   0.40282905  0.12503158  0.86452956
   0.09043942  0.41138276  0.62482362
   0.33931292  0.36182185  0.75403727
   0.14427437  0.65165594  0.00018808
   0.41179380  0.59015475  0.38045795
   0.08073296  0.89305793  0.13832419
   0.33678267  0.83436797  0.25449743
   0.14803248  0.66356193  0.50333978
   0.37876362  0.60868836  0.87047800
   0.04814963  0.90585630  0.60916499
   0.30296642  0.96767431  0.71786947
   0.64693643  0.12826077  1.00737165
   0.88077418  0.10695207  0.38491163
   0.61816076  0.38857804  0.12461397
   0.89257951  0.29062116  0.21617639
   0.64014725  0.19151127  0.52713964
   0.89441589  0.10530951  0.88390709
   0.57277597  0.45527109  0.62959013
   0.74509549  0.33677582  0.80417997
   0.62749134  0.64343016 -0.00462458
   0.90646763  0.59454717  0.38703631
   0.57270556  0.89276127  0.12887024
   0.83055782  0.84376934  0.26188125
   0.66073843  0.65598928  0.48761641
   0.88651280  0.59302902  0.87949007
   0.60949322  0.97911822  0.66188614
   0.84059625  0.85225317  0.76525882
   0.10699325  0.06055905  0.12913256
   0.39023634  0.18716188  0.30284274
   0.10635343  0.29832584  0.04317415
   0.36086675  0.43368623  0.34871431
   0.54380492  0.36119154  0.22479549
   0.29595368  0.36384517  0.16461220
   0.28758128  0.10020036  0.47815299
   0.04737910  0.15524308  0.39295516
   0.06220244  0.06054987  0.57542694
   0.42795379  0.22527646  0.77228897
   0.14429125  0.31103768  0.53536451
   0.36754380  0.44442587  0.85273161
   0.41502196  0.45395420  0.67493832
   0.17270867  0.35556101  0.72002983
   0.30932719  0.21605179 -0.06312585
   0.05483564  0.14981307  0.88705073
   0.13287109  0.56133556  0.09795031
   0.38452839  0.68536826  0.28087603
   0.09177107  0.80988074  0.03720882
   0.39754436  0.92609984  0.34760854
   0.41031967  0.88732334  0.15247837
   0.18075232  0.84754314  0.22599871
   0.31502788  0.64291189  0.47287252
   0.06419868  0.61440420  0.40829169
   0.12887726  0.58118585  0.60619557
   0.31948504  0.69915823  0.77618354
   0.10021878  0.80982345  0.51428884
   0.32532736  0.98963946  0.83394535
   0.44621271  0.92856655  0.66169063
   0.15622321  0.87318792  0.69969093
   0.31358565  0.64717168 -0.02588011
   0.05293749  0.60091813  0.91009993
   0.60313551  0.04510213  0.09853650
   0.81988483  0.20879393  0.30289623
   0.58375848  0.28780956  0.02849834
   0.85916787  0.44840311  0.33736946
   0.04405161  0.35864408  0.20867003
   0.77706169  0.38162784  0.15894535
   0.79806060  0.14802905  0.48632712
   0.53903030  0.10615121  0.45218642
   0.63219174  0.14454191  0.64129435
   0.82076016  0.18195803  0.78907969
   0.59689680  0.35066988  0.53698928
   0.86277246  0.43375588  0.85088021
   0.92576986  0.42608795  0.64972606
   0.70185743  0.43932815  0.71028292
   0.80658924  0.12191500  0.98497282
   0.55717907  0.08064969  0.91541683
   0.58004360  0.54146597  0.08090598
   0.86363048  0.69115554  0.29814500
   0.60469115  0.79359272  0.04044404
   0.84622359  0.94529556  0.35842138
   0.92285750  0.86221416  0.16689453
   0.67798921  0.85068344  0.21587765
   0.82716472  0.62865923  0.48772041
   0.57228365  0.57376812  0.40787520
   0.60290597  0.60690760  0.59382155
   0.86523152  0.68997424  0.78857015
   0.61629068  0.80584379  0.45585348
   0.90699974  0.94051294  0.85064611
   0.89051649  0.85841972  0.64854097
   0.68126460  0.91232454  0.75652900
   0.79041179  0.61176567  0.97249889
   0.53985110  0.62255057  0.89193923
   0.65302085  0.94127197  0.57543751
   0.67706067  0.87291985  0.47471664
   0.91292124  0.16039828  0.15454668
   0.76544453  0.44781476  0.33516021
   0.25078564  0.08352983  0.67934049
   0.27237039  0.65269935  0.72868206
   0.03503099  1.11442530  0.15017413
   0.20442809  1.02135556 -0.00460863
   0.61214725  0.31623565  0.84631900
   0.87120360  0.51326473  0.66946153
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.699834    0.155496   -0.039421
    -0.000000    9.870885   -0.103188
    -0.000000   -0.000000   13.772285
   Si   O    H 
    32    64    10
Direct configuration=   411
   0.15986310  0.16821615 -0.02198075
   0.39898275  0.07996131  0.38812991
   0.15083954  0.40511552  0.12753083
   0.38928413  0.33401218  0.26194067
   0.13647189  0.16186665  0.49406613
   0.40314075  0.12401094  0.86531367
   0.09071344  0.41076357  0.62443269
   0.34006400  0.36229416  0.75380633
   0.14431015  0.65335394  0.00152271
   0.41350451  0.58897527  0.38105329
   0.08152963  0.89258102  0.13919113
   0.33584267  0.83460401  0.25459954
   0.14827994  0.66380798  0.50307865
   0.38030669  0.60726493  0.87117549
   0.04911765  0.90791236  0.60935546
   0.30385239  0.96827681  0.71831761
   0.64850443  0.12753022  1.00816317
   0.88157213  0.10725132  0.38537458
   0.61881370  0.38980202  0.12570425
   0.89160156  0.28960895  0.21639434
   0.64037263  0.19129940  0.52723695
   0.89406465  0.10669490  0.88377498
   0.57286512  0.45694598  0.63074702
   0.74461566  0.33506447  0.80445227
   0.62794119  0.64260485 -0.00437923
   0.90684448  0.59549224  0.38687979
   0.57225660  0.89262677  0.12886287
   0.83041788  0.84448113  0.26192964
   0.66053101  0.65605241  0.48683577
   0.88587926  0.59305624  0.87951065
   0.61009055  0.97783442  0.66207016
   0.84062735  0.85171054  0.76546761
   0.10661439  0.06034009  0.12972509
   0.39089832  0.18662266  0.30365267
   0.10728633  0.29986364  0.04340476
   0.36125348  0.43433712  0.34930439
   0.54279856  0.36121774  0.22564494
   0.29529215  0.36389393  0.16439997
   0.28638508  0.10017143  0.47818978
   0.04759719  0.15754361  0.39285714
   0.06448333  0.06052733  0.57724309
   0.42691973  0.22403837  0.77207982
   0.14495569  0.31064390  0.53415540
   0.36750630  0.44526354  0.85280160
   0.41390995  0.45464248  0.67509347
   0.17298893  0.35560850  0.71849450
   0.31121127  0.21478227 -0.06435875
   0.05587784  0.14703062  0.88710314
   0.13275263  0.56125129  0.09749563
   0.38587355  0.68455586  0.28126757
   0.09016159  0.80874517  0.03760939
   0.39755470  0.92528301  0.34690412
   0.41112539  0.88666349  0.15142156
   0.18000104  0.84850388  0.22574409
   0.31531823  0.64269605  0.47278343
   0.06502990  0.61333061  0.40869942
   0.12738296  0.57854767  0.60510100
   0.31773141  0.69803197  0.77573720
   0.09935957  0.80909780  0.51551427
   0.32452857  0.98812083  0.83319967
   0.44595694  0.92647666  0.66215890
   0.15674398  0.87144565  0.69950859
   0.31564581  0.64725710 -0.02566676
   0.05403147  0.59994380  0.91033728
   0.60287166  0.04486707  0.09859450
   0.82028267  0.21037987  0.30183437
   0.58310118  0.28711926  0.02918580
   0.85827111  0.44919092  0.33835352
   0.04424426  0.35761468  0.20984920
   0.77752947  0.38072756  0.15877034
   0.79839687  0.14791760  0.48760537
   0.53871832  0.10681219  0.45287527
   0.63322897  0.14361416  0.64124932
   0.82001369  0.18212910  0.78789408
   0.59743909  0.34911307  0.53721505
   0.86321591  0.43453740  0.85063062
   0.92445018  0.42560725  0.64911005
   0.70203870  0.44052061  0.71125285
   0.80899924  0.12252756  0.98509346
   0.55758224  0.07940340  0.91542992
   0.58048161  0.53816169  0.08096119
   0.86242641  0.69015021  0.29928695
   0.60513004  0.79294526  0.04155883
   0.84797310  0.94748936  0.35861720
   0.92077090  0.86373946  0.16568023
   0.67816068  0.85083174  0.21643676
   0.82685816  0.62986879  0.48773983
   0.57327222  0.57384166  0.40670618
   0.60332845  0.60710911  0.59462249
   0.86425022  0.69147054  0.78773002
   0.61308268  0.80589111  0.45607578
   0.90751006  0.93898657  0.84983912
   0.89066671  0.85646725  0.64903014
   0.68242965  0.91156285  0.75585983
   0.78989436  0.61215407  0.97079063
   0.54081289  0.62116127  0.89254697
   0.66271715  0.93449384  0.57406840
   0.68135435  0.88200655  0.47050472
   0.92184127  0.15446248  0.15350370
   0.75622703  0.45394747  0.33898026
   0.25989123  0.09511300  0.68272528
   0.26628572  0.65089583  0.72299712
   0.02759861  1.12135656  0.15219718
   0.20411280  1.01869299 -0.00643144
   0.61130887  0.30693975  0.84385788
   0.89137129  0.49977922  0.66262849
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.701119    0.157901   -0.040163
    -0.000000    9.867454   -0.108857
    -0.000000   -0.000000   13.774213
   Si   O    H 
    32    64    10
Direct configuration=   412
   0.15943373  0.16756408 -0.02257953
   0.39839839  0.08052967  0.38746008
   0.15016866  0.40467229  0.12750678
   0.38729296  0.33328715  0.26136611
   0.13511916  0.16125123  0.49434524
   0.40396340  0.12252651  0.86650144
   0.09033868  0.41031927  0.62416115
   0.34040730  0.36262223  0.75355732
   0.14455211  0.65494544  0.00295204
   0.41455291  0.58841580  0.38129558
   0.08222953  0.89252726  0.14007705
   0.33550316  0.83500506  0.25443821
   0.14930634  0.66387127  0.50280163
   0.38140532  0.60634409  0.87163725
   0.05040952  0.90914905  0.60988855
   0.30436593  0.96835846  0.71886513
   0.65004739  0.12709803  1.00874217
   0.88256183  0.10800601  0.38608058
   0.61992348  0.39150021  0.12617472
   0.89079208  0.28881110  0.21602088
   0.64112914  0.19039708  0.52758780
   0.89351790  0.10801339  0.88336043
   0.57274546  0.45848541  0.63185785
   0.74431981  0.33338323  0.80465542
   0.62881087  0.64165395 -0.00444881
   0.90747814  0.59622281  0.38675497
   0.57194228  0.89258092  0.12924908
   0.83111108  0.84476523  0.26196884
   0.66031357  0.65601600  0.48695420
   0.88644962  0.59321587  0.87921990
   0.61024827  0.97668424  0.66232558
   0.84071069  0.85090643  0.76529402
   0.10579169  0.06007246  0.13064750
   0.39067967  0.18658385  0.30390808
   0.10740573  0.30190297  0.04348090
   0.36096158  0.43601063  0.34999916
   0.54192100  0.36137583  0.22644379
   0.29496438  0.36351930  0.16462945
   0.28529079  0.10057632  0.47813722
   0.04715672  0.15940424  0.39280934
   0.06655745  0.06136968  0.57802859
   0.42664232  0.22278172  0.77122611
   0.14459628  0.31090000  0.53258825
   0.36675568  0.44620252  0.85221887
   0.41372948  0.45466137  0.67490974
   0.17411162  0.35606821  0.71712511
   0.31223548  0.21398760 -0.06504112
   0.05641518  0.14496140  0.88715210
   0.13322813  0.56186557  0.09756562
   0.38725813  0.68400350  0.28127698
   0.08882058  0.80748402  0.03809425
   0.39746732  0.92514642  0.34602407
   0.41155620  0.88691132  0.15077567
   0.17919532  0.84911976  0.22558751
   0.31494042  0.64260936  0.47245707
   0.06603242  0.61229918  0.40863062
   0.12678005  0.57597663  0.60379513
   0.31604786  0.69736682  0.77543555
   0.09789898  0.81030318  0.51688893
   0.32343482  0.98545857  0.83245869
   0.44541177  0.92448715  0.66323102
   0.15743253  0.86953680  0.69986988
   0.31651188  0.64815438 -0.02548212
   0.05480785  0.59922537  0.91028454
   0.60241171  0.04459446  0.09869937
   0.82103777  0.21171466  0.30090744
   0.58252232  0.28638676  0.02956037
   0.85755091  0.44994389  0.33924393
   0.04378504  0.35659110  0.21129583
   0.77790938  0.37952061  0.15797457
   0.79844064  0.14808401  0.48873709
   0.53879204  0.10768292  0.45371965
   0.63390024  0.14296041  0.64131707
   0.81937141  0.18202393  0.78725740
   0.59772678  0.34780595  0.53758664
   0.86336524  0.43448447  0.85094182
   0.92411603  0.42315898  0.64798120
   0.70235973  0.44140972  0.71207436
   0.81209458  0.12382426  0.98482976
   0.55804867  0.07778258  0.91485856
   0.58137842  0.53441636  0.08173473
   0.86135989  0.68988770  0.30026600
   0.60515896  0.79175429  0.04195667
   0.84992251  0.94974467  0.35849845
   0.91885155  0.86513903  0.16488130
   0.67766710  0.85173195  0.21682889
   0.82711028  0.63124671  0.48757999
   0.57413630  0.57380614  0.40569946
   0.60332663  0.60771157  0.59536955
   0.86370593  0.69254953  0.78697681
   0.61138148  0.80634391  0.45606525
   0.90776066  0.93769338  0.84978384
   0.89124626  0.85604636  0.64952832
   0.68329015  0.91126489  0.75600827
   0.78993933  0.61309190  0.96900771
   0.54202317  0.62025008  0.89342358
   0.67572753  0.92335524  0.56941927
   0.67956215  0.88350561  0.46360673
   0.91875385  0.15690647  0.15398385
   0.75181639  0.45734634  0.34064070
   0.26685723  0.10897343  0.68427531
   0.26289299  0.65063270  0.72117311
   0.02035910  1.12697757  0.15262673
   0.20087619  1.02052369 -0.00829584
   0.61229645  0.30072833  0.84451110
   0.89533832  0.52203126  0.66209914
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.702595    0.160393   -0.040907
    -0.000000    9.864083   -0.114068
    -0.000000   -0.000000   13.776226
   Si   O    H 
    32    64    10
Direct configuration=   413
   0.15970500  0.16746424 -0.02320351
   0.39829311  0.08041530  0.38719490
   0.14904264  0.40323403  0.12762676
   0.38583294  0.33273680  0.26098375
   0.13335249  0.16025797  0.49480950
   0.40533668  0.12062957  0.86795024
   0.09020554  0.41075096  0.62391613
   0.34013154  0.36353240  0.75322336
   0.14478679  0.65601431  0.00435843
   0.41491229  0.58774434  0.38057161
   0.08241402  0.89296349  0.14057863
   0.33550467  0.83588234  0.25411052
   0.15059817  0.66371949  0.50239717
   0.38184011  0.60535856  0.87179945
   0.05210155  0.91010795  0.61015921
   0.30473387  0.96921935  0.71904298
   0.65118057  0.12730287  1.00920140
   0.88371797  0.10845437  0.38658369
   0.62068516  0.39259030  0.12676429
   0.89014246  0.28809238  0.21539019
   0.64158564  0.18976273  0.52826493
   0.89308379  0.10878168  0.88280500
   0.57331259  0.45948411  0.63303509
   0.74409055  0.33224619  0.80468210
   0.62955408  0.64121753 -0.00454528
   0.90826476  0.59631220  0.38615268
   0.57162060  0.89220190  0.12922299
   0.83111583  0.84531432  0.26241654
   0.65975034  0.65625484  0.48726654
   0.88794667  0.59334669  0.87867069
   0.61014563  0.97513612  0.66239744
   0.84032541  0.85025405  0.76475028
   0.10509814  0.05977775  0.13169575
   0.39041766  0.18602008  0.30414527
   0.10771332  0.30288612  0.04312074
   0.36048622  0.43807893  0.35125140
   0.54143502  0.36176175  0.22736884
   0.29552439  0.36338805  0.16556909
   0.28465760  0.09996051  0.47781646
   0.04630866  0.16026480  0.39320622
   0.06900664  0.06188680  0.57890259
   0.42659898  0.22083278  0.77046443
   0.14439333  0.31158712  0.53117664
   0.36550638  0.44659267  0.85139707
   0.41393685  0.45432721  0.67427261
   0.17568124  0.35635696  0.71590906
   0.31267922  0.21340197 -0.06541185
   0.05668549  0.14368989  0.88732105
   0.13284131  0.56222400  0.09709755
   0.38937687  0.68271398  0.28171879
   0.08867404  0.80593565  0.03823241
   0.39746054  0.92530791  0.34562002
   0.41205200  0.88797488  0.15074095
   0.17805901  0.85033831  0.22521665
   0.31379893  0.64250761  0.47229136
   0.06712858  0.61151274  0.40815691
   0.12584524  0.57311564  0.60233064
   0.31506692  0.69576939  0.77561121
   0.09619347  0.81263603  0.51804506
   0.32232965  0.98385696  0.83203531
   0.44560907  0.92260840  0.66419660
   0.15805429  0.86883147  0.70066936
   0.31603516  0.64922973 -0.02497471
   0.05517430  0.59841010  0.91040988
   0.60188279  0.04446152  0.09908558
   0.82253324  0.21383992  0.30035117
   0.58341091  0.28636172  0.03001127
   0.85721935  0.44967546  0.34003769
   0.04278634  0.35522130  0.21272817
   0.77890907  0.37861326  0.15725089
   0.79860438  0.14887754  0.48951201
   0.53901118  0.10832706  0.45460589
   0.63436073  0.14279262  0.64190156
   0.81869110  0.18127627  0.78665486
   0.59833872  0.34747691  0.53856271
   0.86280864  0.43385958  0.85120990
   0.92453095  0.42182109  0.64652473
   0.70297838  0.44152182  0.71284972
   0.81478934  0.12488510  0.98432779
   0.55872401  0.07585887  0.91409452
   0.58159720  0.53140788  0.08212087
   0.86039685  0.69088686  0.30082286
   0.60555842  0.79102615  0.04145331
   0.85137485  0.95182441  0.35783383
   0.91734658  0.86743761  0.16377391
   0.67748776  0.85267149  0.21726680
   0.82665380  0.63206977  0.48800748
   0.57538312  0.57366104  0.40476110
   0.60313085  0.60848388  0.59512428
   0.86233370  0.69338910  0.78617065
   0.61098435  0.80733693  0.45578476
   0.90771868  0.93674981  0.85031372
   0.89249041  0.85658691  0.65022288
   0.68469692  0.90983976  0.75627660
   0.78924264  0.61433421  0.96755847
   0.54383505  0.61979004  0.89422610
   0.68713037  0.91341879  0.57143589
   0.67574420  0.87943224  0.45582628
   0.90935819  0.16333334  0.15576763
   0.75518822  0.45807766  0.33892344
   0.27275760  0.11806399  0.68517734
   0.26313302  0.64954110  0.72450652
   0.02376859  1.12587856  0.15263880
   0.19673108  1.02354997 -0.01000319
   0.61689702  0.29504291  0.84503862
   0.89810345  0.53346737  0.65725994
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.703596    0.162809   -0.041266
    -0.000000    9.860877   -0.118465
    -0.000000   -0.000000   13.777965
   Si   O    H 
    32    64    10
Direct configuration=   414
   0.16003112  0.16680231 -0.02369042
   0.39851442  0.07904154  0.38759202
   0.14769789  0.40224557  0.12763909
   0.38385286  0.33186916  0.26025722
   0.13195985  0.15895765  0.49523256
   0.40746902  0.11846484  0.86924738
   0.08992177  0.41024701  0.62427955
   0.33960944  0.36433241  0.75293018
   0.14506624  0.65681901  0.00499581
   0.41482028  0.58726187  0.37960952
   0.08239411  0.89344493  0.14068182
   0.33585377  0.83654882  0.25377127
   0.15250272  0.66291146  0.50151367
   0.38215269  0.60461639  0.87167567
   0.05269604  0.91032023  0.61050027
   0.30468885  0.96949621  0.71891853
   0.65153892  0.12809353  1.00901734
   0.88453391  0.10923528  0.38681796
   0.62127459  0.39315443  0.12652740
   0.88935842  0.28759935  0.21448092
   0.64249999  0.18957371  0.52848446
   0.89352402  0.10918468  0.88198360
   0.57429767  0.45962552  0.63411547
   0.74346271  0.33176581  0.80441766
   0.63012858  0.64081106 -0.00479657
   0.90886292  0.59665345  0.38547333
   0.57190571  0.89229107  0.12920466
   0.83077600  0.84598305  0.26299774
   0.65922339  0.65658791  0.48758520
   0.88970479  0.59402796  0.87799180
   0.61011599  0.97329923  0.66250944
   0.84040387  0.85016069  0.76418675
   0.10414267  0.05964864  0.13248328
   0.38965420  0.18562665  0.30373204
   0.10819096  0.30316043  0.04268245
   0.35994346  0.44040179  0.35269715
   0.54082148  0.36223603  0.22842936
   0.29607740  0.36358727  0.16627281
   0.28500129  0.09935318  0.47747264
   0.04496429  0.16103265  0.39408724
   0.07067029  0.06339925  0.57944816
   0.42600899  0.21876058  0.76944159
   0.14374700  0.31244959  0.53014549
   0.36406341  0.44642491  0.85102955
   0.41536028  0.45489743  0.67325813
   0.17762674  0.35587656  0.71455450
   0.31185009  0.21270017 -0.06518779
   0.05636129  0.14253441  0.88723458
   0.13222766  0.56178037  0.09633260
   0.39108645  0.68132931  0.28185223
   0.08834056  0.80453574  0.03855914
   0.39787248  0.92464378  0.34507539
   0.41230459  0.88906550  0.15100254
   0.17783447  0.85169436  0.22539279
   0.31216277  0.64243609  0.47194002
   0.06882589  0.61041849  0.40794421
   0.12437838  0.56906639  0.60062520
   0.31414450  0.69435591  0.77580732
   0.09433805  0.81512393  0.51937600
   0.32135394  0.98246352  0.83223936
   0.44605578  0.92019102  0.66498242
   0.15840692  0.86857454  0.70103526
   0.31425936  0.65072540 -0.02447530
   0.05494463  0.59812932  0.91129163
   0.60151432  0.04402923  0.10006263
   0.82431824  0.21528311  0.30043831
   0.58459833  0.28540104  0.03099006
   0.85663482  0.44945363  0.34051828
   0.04248137  0.35401196  0.21418185
   0.77973394  0.37639103  0.15711131
   0.79885223  0.15001442  0.48997248
   0.53908254  0.10852963  0.45505950
   0.63425736  0.14228823  0.64194222
   0.81842727  0.18065972  0.78567668
   0.59873194  0.34709584  0.53969235
   0.86197984  0.43291850  0.85157372
   0.92558263  0.42062429  0.64472946
   0.70324245  0.44145745  0.71434523
   0.81746308  0.12661093  0.98445054
   0.55931026  0.07445392  0.91361733
   0.58219739  0.52966429  0.08184713
   0.85942968  0.69218433  0.30056251
   0.60545932  0.78987711  0.04090569
   0.85232268  0.95306478  0.35675567
   0.91630411  0.86916376  0.16307764
   0.67720079  0.85347409  0.21753233
   0.82653166  0.63234202  0.48865957
   0.57680737  0.57276200  0.40378465
   0.60244262  0.60977803  0.59455334
   0.86164881  0.69360312  0.78566152
   0.61006705  0.80842197  0.45539007
   0.90691491  0.93735108  0.85111380
   0.89423969  0.85688636  0.65057814
   0.68625062  0.90911216  0.75655333
   0.78780708  0.61497461  0.96629137
   0.54583167  0.61953760  0.89422589
   0.69454690  0.91231586  0.58010494
   0.67390202  0.87847438  0.44637369
   0.89532795  0.17070576  0.15491285
   0.75933414  0.45702097  0.33547358
   0.27664411  0.11758403  0.68584944
   0.26267956  0.64799882  0.72680992
   0.03266419  1.12273915  0.14975927
   0.19285546  1.02503287 -0.01165501
   0.62092350  0.29221122  0.84707319
   0.90258379  0.52554024  0.65069956
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.704183    0.165341   -0.041923
    -0.000000    9.858468   -0.122438
    -0.000000   -0.000000   13.779749
   Si   O    H 
    32    64    10
Direct configuration=   415
   0.16122814  0.16611792 -0.02370720
   0.39849266  0.07795492  0.38833009
   0.14652630  0.40138583  0.12767148
   0.38172803  0.33148451  0.25961843
   0.13116230  0.15731718  0.49543730
   0.41009475  0.11724018  0.87031250
   0.08923258  0.40966439  0.62437419
   0.33970443  0.36504866  0.75297402
   0.14532644  0.65720777  0.00537481
   0.41400580  0.58696460  0.37887698
   0.08222048  0.89393174  0.14032964
   0.33704237  0.83730442  0.25327530
   0.15461750  0.66173974  0.50063580
   0.38229007  0.60367494  0.87159959
   0.05285093  0.91024892  0.61089259
   0.30415497  0.96948965  0.71870911
   0.65108346  0.12916856  1.00831044
   0.88541576  0.11005324  0.38690773
   0.62174473  0.39323178  0.12600798
   0.88802956  0.28715519  0.21319834
   0.64364408  0.18913798  0.52865144
   0.89411716  0.10922706  0.88097423
   0.57575234  0.45964329  0.63476479
   0.74331176  0.33173922  0.80370942
   0.63102354  0.64068912 -0.00489912
   0.90904220  0.59651874  0.38437138
   0.57268565  0.89264057  0.12940615
   0.83010827  0.84605158  0.26352132
   0.65840555  0.65695827  0.48769646
   0.89153172  0.59380972  0.87741265
   0.60932343  0.97114538  0.66269175
   0.84102185  0.85003830  0.76376285
   0.10405037  0.05949515  0.13268893
   0.38911747  0.18547095  0.30373050
   0.10753982  0.30299194  0.04168787
   0.35955134  0.44121289  0.35395846
   0.54016929  0.36269023  0.22915265
   0.29746055  0.36428740  0.16661629
   0.28547317  0.09890001  0.47665928
   0.04399537  0.16179424  0.39478154
   0.07168794  0.06588196  0.57988572
   0.42566444  0.21738869  0.76859974
   0.14255412  0.31298443  0.52986377
   0.36246847  0.44578485  0.85096962
   0.41708708  0.45484202  0.67217364
   0.17973856  0.35586654  0.71351115
   0.31195065  0.21232353 -0.06439720
   0.05571994  0.14190514  0.88655604
   0.13158074  0.56124015  0.09544168
   0.39238595  0.68049757  0.28177444
   0.08824616  0.80251588  0.03873407
   0.39746329  0.92367537  0.34354119
   0.41211052  0.88883235  0.15157973
   0.17787532  0.85250259  0.22561885
   0.31131078  0.64267930  0.47108026
   0.06995300  0.60932357  0.40779243
   0.12313513  0.56575840  0.59915903
   0.31360597  0.69280473  0.77606689
   0.09268509  0.81758065  0.51977516
   0.32048482  0.98188866  0.83255361
   0.44606674  0.91738117  0.66567628
   0.15928470  0.86872117  0.70134988
   0.31234341  0.65218324 -0.02493172
   0.05394898  0.59854399  0.91212000
   0.60080088  0.04386406  0.10096036
   0.82564148  0.21630718  0.30182069
   0.58618201  0.28495862  0.03219240
   0.85679365  0.44924976  0.34077949
   0.04162339  0.35262629  0.21583756
   0.78054844  0.37482975  0.15705115
   0.79945092  0.15070906  0.49064861
   0.53963713  0.10797785  0.45570043
   0.63418262  0.14227159  0.64204532
   0.81816531  0.18072812  0.78511531
   0.59827039  0.34717408  0.54117720
   0.86137934  0.43202623  0.85203133
   0.92694919  0.41969425  0.64290522
   0.70307288  0.44075016  0.71559042
   0.81993910  0.12760688  0.98443498
   0.56108071  0.07328531  0.91315400
   0.58271589  0.52918601  0.08059062
   0.85850470  0.69267687  0.29977152
   0.60618804  0.78859076  0.04052093
   0.85333673  0.95407250  0.35587230
   0.91647513  0.87128689  0.16310424
   0.67675927  0.85467448  0.21762094
   0.82751849  0.63219282  0.48903996
   0.57782571  0.57199387  0.40319369
   0.60176651  0.61164320  0.59349694
   0.86042490  0.69320345  0.78521360
   0.60968868  0.80920690  0.45531681
   0.90619256  0.93816001  0.85150531
   0.89622797  0.85715939  0.65101620
   0.68802608  0.90910244  0.75709353
   0.78582000  0.61563371  0.96531075
   0.54864804  0.61952757  0.89393956
   0.69768292  0.91796798  0.59024622
   0.67925309  0.88582997  0.43660300
   0.88779912  0.16838196  0.14893041
   0.75853394  0.45718815  0.33221459
   0.28133671  0.10994608  0.68652742
   0.25870268  0.64488633  0.72535445
   0.03400657  1.12446673  0.14988095
   0.19090306  1.02171225 -0.00903259
   0.62541357  0.29191179  0.85186751
   0.90328714  0.50379895  0.64388775
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.704659    0.167353   -0.042525
    -0.000000    9.856048   -0.126297
    -0.000000   -0.000000   13.781341
   Si   O    H 
    32    64    10
Direct configuration=   416
   0.16268093  0.16568097 -0.02341466
   0.39826569  0.07712125  0.38957945
   0.14558766  0.40108211  0.12807589
   0.37995317  0.33110142  0.25915584
   0.12990537  0.15615596  0.49514369
   0.41247315  0.11635388  0.87123214
   0.08774210  0.40935260  0.62421243
   0.33981199  0.36496188  0.75259735
   0.14544821  0.65715869  0.00590997
   0.41292164  0.58682004  0.37860364
   0.08150192  0.89363061  0.13958203
   0.33884203  0.83813759  0.25305621
   0.15680853  0.66062461  0.49995689
   0.38174516  0.60326253  0.87144352
   0.05282758  0.91021780  0.61165961
   0.30319971  0.96864327  0.71826237
   0.65029505  0.13074180  1.00790417
   0.88621922  0.11092227  0.38656273
   0.62214692  0.39239279  0.12537102
   0.88701586  0.28649957  0.21215603
   0.64449517  0.18880798  0.52901542
   0.89499551  0.10878117  0.87941520
   0.57766566  0.45961928  0.63497596
   0.74286899  0.33206473  0.80264911
   0.63209481  0.64014607 -0.00461946
   0.90868316  0.59672029  0.38326776
   0.57371635  0.89249976  0.12970046
   0.82893488  0.84575480  0.26402520
   0.65745156  0.65771414  0.48805513
   0.89262941  0.59336537  0.87702957
   0.60884120  0.96945258  0.66257206
   0.84192069  0.85055356  0.76297852
   0.10440745  0.05941832  0.13278916
   0.38811596  0.18471033  0.30348699
   0.10703051  0.30253010  0.03943671
   0.35889754  0.44248951  0.35461156
   0.54066114  0.36362054  0.22920211
   0.29773387  0.36523956  0.16620495
   0.28607569  0.09864556  0.47608387
   0.04220019  0.16292630  0.39512425
   0.07214173  0.06883944  0.58023917
   0.42566078  0.21517806  0.76816110
   0.14110819  0.31387488  0.52983865
   0.36141548  0.44525747  0.85085711
   0.41847810  0.45528812  0.67115766
   0.18211018  0.35641768  0.71259642
   0.31151148  0.21238851 -0.06391924
   0.05358259  0.14177117  0.88607512
   0.13017455  0.55970759  0.09500874
   0.39367863  0.67973341  0.28185042
   0.08854743  0.80121817  0.03894804
   0.39579010  0.92338380  0.34212050
   0.41184493  0.88789817  0.15286235
   0.17825003  0.85364392  0.22577429
   0.31114065  0.64361993  0.47001857
   0.07069316  0.60808032  0.40757742
   0.12117006  0.56355564  0.59722208
   0.31290867  0.69193960  0.77601002
   0.09135981  0.81920909  0.52020514
   0.32040191  0.98133834  0.83341583
   0.44704271  0.91504735  0.66626825
   0.16002384  0.87014395  0.70136802
   0.31009195  0.65372777 -0.02509728
   0.05360922  0.59872840  0.91259829
   0.60093614  0.04451929  0.10146883
   0.82541296  0.21694801  0.30333282
   0.58782395  0.28425058  0.03322463
   0.85633850  0.44905258  0.34112206
   0.04076421  0.35123632  0.21697987
   0.78113044  0.37336432  0.15706325
   0.80019236  0.15091520  0.49130152
   0.54027265  0.10724141  0.45670480
   0.63352221  0.14123640  0.64194125
   0.81849757  0.18201428  0.78514269
   0.59762486  0.34739111  0.54239075
   0.86080819  0.43126922  0.85318018
   0.92894555  0.41655161  0.64185792
   0.70245797  0.43974203  0.71638094
   0.82130504  0.12791282  0.98448477
   0.56308690  0.07276579  0.91266721
   0.58395128  0.53012042  0.07900082
   0.85787591  0.69375364  0.29870593
   0.60753286  0.78826035  0.04002428
   0.85416970  0.95409358  0.35493549
   0.91671901  0.87360797  0.16312244
   0.67575402  0.85584489  0.21868191
   0.82886523  0.63204483  0.48862305
   0.57871169  0.57141944  0.40270750
   0.60119022  0.61341246  0.59247433
   0.85949581  0.69251810  0.78537073
   0.60914248  0.81048089  0.45519395
   0.90595725  0.93929789  0.85181599
   0.89770501  0.85771286  0.65176969
   0.68888936  0.90879263  0.75777483
   0.78493035  0.61588253  0.96459696
   0.55087346  0.61898943  0.89324794
   0.70058968  0.91963118  0.59816724
   0.67491157  0.88088969  0.43437916
   0.88624337  0.16029621  0.14011046
   0.75182826  0.45443090  0.32905082
   0.28136607  0.10016272  0.68454283
   0.25321636  0.64335618  0.72627123
   0.02771141  1.12586396  0.15276479
   0.19374368  1.01891372 -0.00745336
   0.62453780  0.29558626  0.85686298
   0.89153483  0.50930896  0.63878119
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.705448    0.169451   -0.042988
    -0.000000    9.853705   -0.129885
    -0.000000   -0.000000   13.783201
   Si   O    H 
    32    64    10
Direct configuration=   417
   0.16382210  0.16512457 -0.02297500
   0.39785394  0.07593527  0.39073093
   0.14397730  0.40150337  0.12840947
   0.37864203  0.33120801  0.25914373
   0.12941460  0.15544548  0.49516576
   0.41401643  0.11586629  0.87157865
   0.08640244  0.40865598  0.62389960
   0.34022749  0.36473761  0.75230927
   0.14570632  0.65688511  0.00595236
   0.41211085  0.58723272  0.37833664
   0.08037131  0.89355121  0.13879314
   0.34110281  0.83857404  0.25286236
   0.15828746  0.65947004  0.49937273
   0.38141314  0.60339769  0.87144726
   0.05266327  0.91057669  0.61274057
   0.30243131  0.96738426  0.71832259
   0.64919749  0.13188447  1.00783339
   0.88642917  0.11166023  0.38625501
   0.62195186  0.39076669  0.12489396
   0.88637745  0.28524210  0.21159131
   0.64574504  0.18839663  0.52919240
   0.89592845  0.10805247  0.87774347
   0.57900189  0.45898574  0.63485800
   0.74293763  0.33201643  0.80149143
   0.63271482  0.63935987 -0.00419148
   0.90811497  0.59663081  0.38286559
   0.57528957  0.89216173  0.12990939
   0.82784459  0.84561056  0.26426292
   0.65681678  0.65851977  0.48807204
   0.89327220  0.59301269  0.87646360
   0.60807311  0.96839514  0.66214601
   0.84304110  0.85049714  0.76197766
   0.10448085  0.05900319  0.13259486
   0.38593160  0.18345818  0.30317140
   0.10725010  0.30175725  0.03701291
   0.35732580  0.44256787  0.35465790
   0.54013656  0.36519685  0.22937570
   0.29803421  0.36572083  0.16579280
   0.28745124  0.09831324  0.47536060
   0.04059490  0.16417133  0.39622066
   0.07105147  0.07112171  0.58071843
   0.42613173  0.21263098  0.76761670
   0.13866572  0.31464308  0.52994395
   0.36083089  0.44478128  0.85107500
   0.41955820  0.45619081  0.67020102
   0.18461739  0.35668534  0.71176723
   0.31123542  0.21336626 -0.06313487
   0.05252989  0.14218379  0.88581298
   0.12765134  0.55679794  0.09451651
   0.39478026  0.68012472  0.28141710
   0.08907864  0.80121377  0.03907000
   0.39427268  0.92269761  0.34112689
   0.41148416  0.88703248  0.15431365
   0.17786856  0.85391690  0.22609411
   0.31193711  0.64507182  0.46871768
   0.07191375  0.60648142  0.40738619
   0.11943648  0.56247842  0.59576255
   0.31205361  0.69062368  0.77668138
   0.09052534  0.82061280  0.51998666
   0.32085956  0.98115080  0.83390101
   0.44761391  0.91389242  0.66684042
   0.15998605  0.87167561  0.70062240
   0.30783929  0.65407333 -0.02548432
   0.05367131  0.59899229  0.91334255
   0.60164729  0.04535572  0.10197094
   0.82460863  0.21680888  0.30549706
   0.58920304  0.28453978  0.03412852
   0.85571954  0.44921299  0.34152012
   0.04043958  0.35029124  0.21808621
   0.78163565  0.37376902  0.15654902
   0.80101748  0.15130061  0.49192459
   0.54109867  0.10656261  0.45782753
   0.63255501  0.13972631  0.64159365
   0.81840481  0.18352196  0.78516266
   0.59740220  0.34821097  0.54344384
   0.86074369  0.43085357  0.85422058
   0.92985992  0.41343308  0.64052005
   0.70181862  0.43903363  0.71683929
   0.82190259  0.12794531  0.98432802
   0.56515349  0.07218437  0.91282677
   0.58424102  0.53129981  0.07718902
   0.85746056  0.69532848  0.29820607
   0.60838548  0.78812791  0.03932880
   0.85566128  0.95423116  0.35451198
   0.91772148  0.87577403  0.16393073
   0.67447306  0.85696688  0.22006075
   0.83006707  0.63186065  0.48787719
   0.57974124  0.57109315  0.40193300
   0.60050909  0.61431750  0.59182119
   0.85946879  0.69135906  0.78555403
   0.60892896  0.81125683  0.45557687
   0.90498069  0.94074738  0.85215168
   0.89884960  0.85874705  0.65251628
   0.68980908  0.90805066  0.75826138
   0.78502087  0.61722828  0.96433432
   0.55231331  0.61800924  0.89246794
   0.70507676  0.91680500  0.59892946
   0.66955366  0.87644918  0.43298792
   0.88719776  0.15719156  0.13657058
   0.75203818  0.45025539  0.32522279
   0.27756163  0.09460390  0.68251881
   0.25552725  0.64946181  0.73167581
   0.02082585  1.12486092  0.15259579
   0.19452672  1.01905459 -0.00989607
   0.61850308  0.30296615  0.86223386
   0.88167903  0.51629478  0.63606307
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.706017    0.171934   -0.043679
    -0.000000    9.851823   -0.133525
    -0.000000   -0.000000   13.785519
   Si   O    H 
    32    64    10
Direct configuration=   418
   0.16479366  0.16480363 -0.02236089
   0.39750878  0.07528359  0.39215647
   0.14239732  0.40177252  0.12874439
   0.37785756  0.33150585  0.25952886
   0.12942333  0.15556502  0.49500716
   0.41501789  0.11487161  0.87176400
   0.08565233  0.40757655  0.62326611
   0.34110793  0.36364533  0.75175816
   0.14661137  0.65640298  0.00580202
   0.41127784  0.58792364  0.37839940
   0.07901016  0.89387175  0.13770637
   0.34364914  0.83795190  0.25277363
   0.15915404  0.65905520  0.49901657
   0.38145567  0.60360006  0.87148931
   0.05204180  0.91037327  0.61374804
   0.30217757  0.96607681  0.71861383
   0.64786875  0.13351730  1.00772461
   0.88642424  0.11182745  0.38576648
   0.62192567  0.38885622  0.12452941
   0.88613472  0.28391140  0.21133150
   0.64683728  0.18863415  0.52926062
   0.89616784  0.10666646  0.87612740
   0.58009938  0.45898737  0.63492990
   0.74240041  0.33221623  0.80032196
   0.63380712  0.63846104 -0.00405207
   0.90776187  0.59620675  0.38246205
   0.57631043  0.89165414  0.12980190
   0.82656092  0.84491511  0.26427618
   0.65650850  0.65933024  0.48783947
   0.89432775  0.59191636  0.87638241
   0.60700194  0.96735616  0.66204977
   0.84314912  0.85016550  0.76114221
   0.10469858  0.05875388  0.13164192
   0.38379675  0.18271369  0.30279413
   0.10844413  0.30094406  0.03552833
   0.35573814  0.44180696  0.35406958
   0.53957531  0.36617010  0.22920253
   0.29806040  0.36591296  0.16522367
   0.28861844  0.09848237  0.47530111
   0.03889840  0.16502842  0.39704766
   0.06952628  0.07251015  0.58201899
   0.42670367  0.21047864  0.76731967
   0.13682526  0.31534583  0.53022984
   0.36036215  0.44397840  0.85174655
   0.42088169  0.45727985  0.66946245
   0.18658855  0.35650234  0.71056229
   0.31130689  0.21439814 -0.06210995
   0.05112524  0.14301951  0.88469697
   0.12452519  0.55330589  0.09408289
   0.39566863  0.68059559  0.28068748
   0.08912702  0.80157531  0.03958279
   0.39366860  0.92221242  0.34041290
   0.41254532  0.88595654  0.15535744
   0.17687641  0.85413675  0.22739877
   0.31355816  0.64620341  0.46737552
   0.07379414  0.60560180  0.40707402
   0.11894186  0.56198275  0.59427267
   0.31208284  0.69056006  0.77750410
   0.08993219  0.82106356  0.52019854
   0.32185803  0.98063990  0.83540730
   0.44796564  0.91327584  0.66702694
   0.16003298  0.87302271  0.69928839
   0.30621174  0.65473006 -0.02656985
   0.05401116  0.59901362  0.91419284
   0.60212197  0.04713908  0.10184177
   0.82320595  0.21579078  0.30735449
   0.58977341  0.28479996  0.03480012
   0.85511481  0.44874778  0.34201320
   0.04051765  0.34975982  0.21933279
   0.78209406  0.37456698  0.15679166
   0.80140388  0.15224039  0.49197566
   0.54237416  0.10518343  0.45854163
   0.63179406  0.13783000  0.64081123
   0.81891163  0.18490394  0.78509763
   0.59789974  0.34910979  0.54410034
   0.86050101  0.43082646  0.85553092
   0.92982692  0.41075852  0.63877394
   0.70113033  0.43859171  0.71749886
   0.82142228  0.12873234  0.98385449
   0.56611017  0.07223798  0.91289162
   0.58475329  0.53261149  0.07541710
   0.85689094  0.69650263  0.29705742
   0.61012321  0.78795634  0.03931649
   0.85659638  0.95445755  0.35408483
   0.91730139  0.87741024  0.16417394
   0.67353854  0.85736907  0.22202050
   0.83008841  0.63211185  0.48802465
   0.58061108  0.57049782  0.40146650
   0.60046813  0.61367510  0.59138688
   0.85865853  0.69078861  0.78566845
   0.60771960  0.81127172  0.45629508
   0.90321699  0.94200399  0.85219067
   0.90081549  0.86118052  0.65273866
   0.68956408  0.90668138  0.75834044
   0.78494641  0.61789439  0.96440487
   0.55314749  0.61747050  0.89194232
   0.71261742  0.91412935  0.59318018
   0.66882725  0.87685307  0.43349040
   0.89178122  0.15921689  0.13609563
   0.76330059  0.44576737  0.32475463
   0.27247786  0.09300792  0.67782471
   0.24636903  0.65264480  0.73181900
   0.02412117  1.11709884  0.15409130
   0.19349764  1.02007072 -0.00851700
   0.61739596  0.31177335  0.86454610
   0.87938169  0.51014583  0.63565126
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.706326    0.174506   -0.044538
    -0.000000    9.850062   -0.137568
    -0.000000   -0.000000   13.787754
   Si   O    H 
    32    64    10
Direct configuration=   419
   0.16553337  0.16425202 -0.02206084
   0.39758102  0.07467449  0.39355077
   0.14078570  0.40171652  0.12896291
   0.37793548  0.33161533  0.26026915
   0.12973660  0.15602133  0.49460099
   0.41530525  0.11350740  0.87230699
   0.08578665  0.40621859  0.62249821
   0.34270244  0.36194679  0.75114026
   0.14739580  0.65563970  0.00513836
   0.41020032  0.58891051  0.37903212
   0.07857760  0.89439772  0.13644780
   0.34558930  0.83711047  0.25240947
   0.15929434  0.65832381  0.49834430
   0.38142881  0.60368873  0.87164671
   0.05106547  0.91045184  0.61453445
   0.30139342  0.96466271  0.71901403
   0.64725246  0.13533603  1.00760668
   0.88617258  0.11198296  0.38566230
   0.62190164  0.38752899  0.12422233
   0.88591467  0.28200489  0.21116471
   0.64763453  0.18844964  0.52939057
   0.89558635  0.10546532  0.87433095
   0.58115873  0.45918343  0.63482535
   0.74198461  0.33323699  0.79930704
   0.63429003  0.63787952 -0.00435641
   0.90713019  0.59565667  0.38221444
   0.57713635  0.89087317  0.12994829
   0.82556680  0.84493532  0.26421110
   0.65646149  0.65981874  0.48745375
   0.89470597  0.59064451  0.87606937
   0.60668541  0.96617358  0.66178473
   0.84327859  0.84954674  0.76056592
   0.10526559  0.05873081  0.13067578
   0.38275661  0.18142524  0.30274089
   0.10913733  0.29991066  0.03396030
   0.35540136  0.44124880  0.35287871
   0.53982115  0.36689793  0.22887393
   0.29806587  0.36697910  0.16389294
   0.28908463  0.09868480  0.47484065
   0.03756866  0.16620889  0.39802309
   0.06742865  0.07399338  0.58342022
   0.42703488  0.20880763  0.76709760
   0.13574912  0.31625179  0.53078062
   0.36032570  0.44330026  0.85234360
   0.42200697  0.45853604  0.66851937
   0.18815002  0.35696855  0.70968237
   0.31161068  0.21482988 -0.06135120
   0.05019699  0.14435188  0.88392694
   0.12210686  0.55099662  0.09374615
   0.39660517  0.68122620  0.27963590
   0.08905606  0.80249948  0.03946951
   0.39381892  0.92351533  0.34051299
   0.41412360  0.88429748  0.15580515
   0.17655230  0.85411358  0.22918989
   0.31535582  0.64685086  0.46596372
   0.07523963  0.60481552  0.40614192
   0.11860454  0.56251066  0.59266752
   0.31310382  0.68996247  0.77830328
   0.09058448  0.82071498  0.52083644
   0.32306361  0.98038691  0.83692824
   0.44837626  0.91274730  0.66663715
   0.16055366  0.87477492  0.69773939
   0.30529682  0.65630256 -0.02741265
   0.05340152  0.59970588  0.91479293
   0.60283034  0.04884197  0.10176928
   0.82253455  0.21449158  0.30898504
   0.59018014  0.28436646  0.03553333
   0.85519780  0.44853951  0.34308411
   0.04056731  0.34924217  0.22017752
   0.78163852  0.37640458  0.15686187
   0.80197859  0.15294550  0.49202266
   0.54258593  0.10438922  0.45871268
   0.63058879  0.13588500  0.63984842
   0.81981090  0.18601222  0.78516959
   0.59859657  0.35004934  0.54396905
   0.86011541  0.43165599  0.85656673
   0.92868184  0.40875744  0.63780170
   0.69993679  0.43830894  0.71785025
   0.82064521  0.13023212  0.98351864
   0.56721588  0.07294106  0.91257225
   0.58390759  0.53389317  0.07382060
   0.85637007  0.69831498  0.29610178
   0.61287410  0.78832144  0.03963552
   0.85799685  0.95471481  0.35354200
   0.91589351  0.87862890  0.16479222
   0.67288856  0.85873177  0.22435568
   0.83039536  0.63179908  0.48749705
   0.58139066  0.56987650  0.40144694
   0.59991805  0.61313378  0.59100911
   0.85713170  0.68974355  0.78552132
   0.60627794  0.81109120  0.45676373
   0.90125973  0.94311505  0.85292527
   0.90317507  0.86347032  0.65303889
   0.68809206  0.90518334  0.75860850
   0.78593990  0.61804898  0.96430226
   0.55371084  0.61597544  0.89159051
   0.71417925  0.90919365  0.58716799
   0.67295917  0.88052269  0.43509581
   0.89480278  0.16509015  0.13951270
   0.76380080  0.44576021  0.32333095
   0.26357102  0.09188264  0.67328467
   0.23640143  0.65535034  0.73260259
   0.02743910  1.11042119  0.15566188
   0.19054152  1.01876722 -0.00524675
   0.62236057  0.32209742  0.86404795
   0.88270523  0.49468418  0.63523133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.706948    0.177179   -0.045463
    -0.000000    9.847991   -0.141102
    -0.000000   -0.000000   13.790076
   Si   O    H 
    32    64    10
Direct configuration=   420
   0.16587778  0.16375664 -0.02198262
   0.39785555  0.07426083  0.39483927
   0.13856692  0.40186807  0.12887504
   0.37894725  0.33190536  0.26127261
   0.13026456  0.15682174  0.49433164
   0.41560953  0.11257122  0.87257627
   0.08623886  0.40506811  0.62143608
   0.34465209  0.36017425  0.75055418
   0.14758267  0.65500643  0.00468010
   0.40936405  0.58954882  0.37980827
   0.07794743  0.89492637  0.13564425
   0.34686685  0.83620637  0.25185395
   0.15849931  0.65736193  0.49811939
   0.38118037  0.60423263  0.87183822
   0.04991533  0.91055422  0.61506864
   0.30061771  0.96360245  0.71913600
   0.64712231  0.13692999  1.00722344
   0.88459161  0.11165721  0.38528429
   0.62152349  0.38662933  0.12410614
   0.88529365  0.28016897  0.21090573
   0.64839191  0.18841858  0.52986039
   0.89435304  0.10443933  0.87222845
   0.58209354  0.45919311  0.63466305
   0.74207620  0.33435700  0.79855216
   0.63426366  0.63732200 -0.00447342
   0.90709422  0.59525847  0.38225112
   0.57803613  0.88929210  0.12995523
   0.82467409  0.84522897  0.26389233
   0.65675377  0.66002294  0.48724839
   0.89480727  0.58881542  0.87575088
   0.60663400  0.96550236  0.66169409
   0.84311106  0.84883017  0.76027196
   0.10620213  0.05800293  0.12947430
   0.38205232  0.18028938  0.30254303
   0.10935356  0.29934256  0.03266039
   0.35564520  0.44024667  0.35116455
   0.53982847  0.36679798  0.22757870
   0.29739881  0.36752985  0.16232227
   0.28811419  0.09877809  0.47492353
   0.03748500  0.16697375  0.39952566
   0.06555894  0.07431750  0.58487623
   0.42708587  0.20810414  0.76707004
   0.13503885  0.31584516  0.53142138
   0.36063732  0.44212087  0.85308649
   0.42272033  0.45955531  0.66762704
   0.18938714  0.35726553  0.70922107
   0.31191844  0.21439106 -0.06049390
   0.05073029  0.14628221  0.88376607
   0.12018462  0.54879388  0.09315890
   0.39791936  0.68167846  0.27858789
   0.08871790  0.80339248  0.03895672
   0.39410408  0.92472556  0.34107121
   0.41683794  0.88382324  0.15625132
   0.17613211  0.85419871  0.23020682
   0.31670877  0.64732428  0.46473481
   0.07685532  0.60385681  0.40465355
   0.11871142  0.56341660  0.59063043
   0.31304532  0.69011235  0.77943559
   0.09153134  0.81967721  0.52094940
   0.32462953  0.97961787  0.83744746
   0.44902182  0.91170783  0.66623583
   0.16146085  0.87646086  0.69645726
   0.30467976  0.65737619 -0.02841418
   0.05321714  0.60104588  0.91506746
   0.60335032  0.05102937  0.10121854
   0.82141220  0.21401458  0.31003524
   0.59094615  0.28385456  0.03659660
   0.85604915  0.44862741  0.34428130
   0.04070494  0.34953022  0.22083822
   0.78180732  0.37778401  0.15647475
   0.80266614  0.15398144  0.49216543
   0.54312218  0.10435211  0.45910814
   0.62863801  0.13359933  0.63926218
   0.82123352  0.18787639  0.78510486
   0.59921962  0.35127195  0.54411656
   0.85946112  0.43212021  0.85726174
   0.92705112  0.40618471  0.63682085
   0.69921881  0.43778454  0.71799729
   0.81916960  0.13091183  0.98219022
   0.56817402  0.07348591  0.91205856
   0.58330443  0.53443038  0.07285689
   0.85679097  0.69977842  0.29531546
   0.61651683  0.78962291  0.03972554
   0.85959607  0.95549778  0.35257172
   0.91489220  0.87907024  0.16591340
   0.67147674  0.85949364  0.22644138
   0.83051531  0.63189052  0.48649176
   0.58206347  0.56870380  0.40194636
   0.59962793  0.61228736  0.59142288
   0.85523413  0.68838525  0.78565435
   0.60509993  0.81115319  0.45737237
   0.89895153  0.94400224  0.85291878
   0.90564688  0.86531531  0.65325252
   0.68637439  0.90406584  0.75908913
   0.78745121  0.61783698  0.96439801
   0.55386938  0.61484037  0.89091737
   0.70857591  0.90469995  0.58671613
   0.67301728  0.88270037  0.43823659
   0.90134798  0.17267344  0.14388972
   0.75545770  0.44600398  0.32402913
   0.25536946  0.08770105  0.66777252
   0.23356483  0.65922561  0.73604911
   0.02391718  1.10930985  0.15992445
   0.18759130  1.01567873 -0.00214103
   0.62899882  0.32905089  0.86008292
   0.88125691  0.48340024  0.63484648
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.707219    0.179207   -0.046377
    -0.000000    9.846327   -0.144710
    -0.000000   -0.000000   13.792071
   Si   O    H 
    32    64    10
Direct configuration=   421
   0.16587394  0.16352068 -0.02227930
   0.39923973  0.07342880  0.39564309
   0.13662193  0.40150923  0.12894675
   0.38036321  0.33245476  0.26209001
   0.13034034  0.15776174  0.49412326
   0.41534379  0.11177096  0.87276206
   0.08748282  0.40389022  0.62081613
   0.34705628  0.35906767  0.74982564
   0.14786522  0.65450347  0.00405643
   0.40844586  0.58955175  0.38002959
   0.07660023  0.89574665  0.13488338
   0.34821528  0.83455405  0.25113214
   0.15762626  0.65696244  0.49817450
   0.38086525  0.60397994  0.87208897
   0.04893418  0.91143720  0.61530206
   0.29966644  0.96277599  0.71877397
   0.64669074  0.13757601  1.00721113
   0.88261602  0.11109861  0.38540568
   0.62088508  0.38569589  0.12449889
   0.88551237  0.27862854  0.21080639
   0.64873163  0.18876843  0.53060225
   0.89332884  0.10374433  0.87059899
   0.58284400  0.45949768  0.63438771
   0.74283924  0.33613927  0.79759662
   0.63501507  0.63679972 -0.00479753
   0.90726010  0.59559019  0.38238146
   0.57932052  0.88820704  0.12938280
   0.82449087  0.84621401  0.26330860
   0.65695797  0.66036674  0.48724464
   0.89489856  0.58712914  0.87537671
   0.60690930  0.96529085  0.66116689
   0.84301750  0.84830490  0.76040381
   0.10762738  0.05783285  0.12839974
   0.38210344  0.17882041  0.30279639
   0.10931951  0.29806268  0.03175301
   0.35493517  0.43924465  0.34941533
   0.54076757  0.36762154  0.22645527
   0.29704325  0.36773637  0.16166947
   0.28605331  0.09906525  0.47503107
   0.03707036  0.16741110  0.40018754
   0.06346673  0.07411902  0.58570510
   0.42689623  0.20741923  0.76720658
   0.13418186  0.31489760  0.53211390
   0.36077389  0.44155980  0.85406254
   0.42318828  0.45976205  0.66714396
   0.19018190  0.35778225  0.70903920
   0.31258644  0.21363344 -0.05947716
   0.05145830  0.14798768  0.88392324
   0.11845176  0.54765173  0.09283439
   0.39888807  0.68163378  0.27816501
   0.08885968  0.80445458  0.03818039
   0.39441497  0.92584760  0.34186506
   0.41987298  0.88360614  0.15593504
   0.17648055  0.85462437  0.23103785
   0.31709508  0.64863347  0.46330667
   0.07841470  0.60409921  0.40307261
   0.11920427  0.56404010  0.58885514
   0.31375004  0.68987157  0.78010137
   0.09304178  0.81823246  0.52089808
   0.32578643  0.97835693  0.83792202
   0.44874146  0.91144898  0.66573993
   0.16358726  0.87821474  0.69579980
   0.30423103  0.65833384 -0.02957882
   0.05297206  0.60256311  0.91516825
   0.60361881  0.05325438  0.10088992
   0.82063841  0.21424540  0.31072190
   0.59108686  0.28379288  0.03760907
   0.85623846  0.44953262  0.34490735
   0.04129142  0.35020793  0.22127562
   0.78208988  0.37933595  0.15534038
   0.80321378  0.15546686  0.49184340
   0.54342789  0.10497398  0.45963446
   0.62634451  0.13141853  0.63908308
   0.82221538  0.18955332  0.78495982
   0.59961654  0.35185112  0.54454338
   0.85894022  0.43249521  0.85800665
   0.92597296  0.40206600  0.63597914
   0.69808763  0.43708753  0.71778233
   0.81718751  0.13198457  0.98076192
   0.56906207  0.07394051  0.91193827
   0.58217214  0.53433951  0.07202101
   0.85813793  0.69969001  0.29461309
   0.62033903  0.79121775  0.03989372
   0.86068475  0.95622852  0.35219610
   0.91457416  0.87920930  0.16692815
   0.66976088  0.86002228  0.22781869
   0.83116120  0.63177199  0.48545763
   0.58176307  0.56747150  0.40261683
   0.59908457  0.61239364  0.59183376
   0.85364878  0.68689404  0.78563365
   0.60415651  0.81092971  0.45784186
   0.89652141  0.94426778  0.85251413
   0.90799932  0.86648506  0.65304515
   0.68506819  0.90221355  0.75933382
   0.78956946  0.61730761  0.96511513
   0.55354209  0.61426260  0.89080753
   0.69724042  0.90416592  0.58743739
   0.66958697  0.88080493  0.44276978
   0.90665781  0.17479668  0.14369928
   0.75143542  0.44920077  0.32783967
   0.25389804  0.08295183  0.66465110
   0.23451501  0.66316894  0.74257118
   0.02574215  1.10506333  0.16310584
   0.18790141  1.01126136  0.00105884
   0.62974983  0.33538824  0.85715834
   0.87023568  0.49262760  0.63479775
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.707258    0.181973   -0.047274
    -0.000000    9.844400   -0.147650
    -0.000000   -0.000000   13.794030
   Si   O    H 
    32    64    10
Direct configuration=   422
   0.16565723  0.16274862 -0.02258116
   0.40044339  0.07325359  0.39599696
   0.13498091  0.40053891  0.12945938
   0.38219349  0.33311015  0.26258152
   0.13067847  0.15833879  0.49419632
   0.41490560  0.11127132  0.87277471
   0.08853688  0.40311709  0.62086568
   0.34962638  0.35812149  0.74964772
   0.14744657  0.65397494  0.00344942
   0.40786299  0.58944995  0.37972964
   0.07528164  0.89599740  0.13466366
   0.34907968  0.83329469  0.25043346
   0.15657340  0.65729960  0.49853159
   0.38056117  0.60334240  0.87193380
   0.04810934  0.91287472  0.61563172
   0.29952308  0.96238217  0.71868489
   0.64682668  0.13797448  1.00732610
   0.88087505  0.11005459  0.38583047
   0.62117044  0.38523641  0.12468902
   0.88574364  0.27718852  0.21066916
   0.64896524  0.18960646  0.53132181
   0.89218702  0.10313934  0.86903783
   0.58372985  0.45981515  0.63433056
   0.74372994  0.33879520  0.79699616
   0.63531543  0.63683802 -0.00536153
   0.90815542  0.59571770  0.38303674
   0.58041926  0.88715442  0.12860486
   0.82502660  0.84753623  0.26265769
   0.65794665  0.65975636  0.48692181
   0.89464738  0.58516444  0.87493754
   0.60694404  0.96453301  0.66029310
   0.84285228  0.84745963  0.76106615
   0.10780545  0.05852740  0.12793087
   0.38193866  0.17757337  0.30314324
   0.10871855  0.29761269  0.03125344
   0.35371357  0.43826251  0.34775865
   0.54177337  0.36762819  0.22543683
   0.29765422  0.36844233  0.16123210
   0.28336287  0.09943842  0.47518013
   0.03736562  0.16712026  0.40027226
   0.06168569  0.07371761  0.58658092
   0.42639325  0.20683537  0.76776018
   0.13300688  0.31411389  0.53229745
   0.36027361  0.44180945  0.85489364
   0.42325728  0.45979742  0.66646542
   0.19100117  0.35810578  0.70931741
   0.31437845  0.21167742 -0.05882303
   0.05236846  0.14969308  0.88457844
   0.11642888  0.54763661  0.09230696
   0.39942947  0.68072659  0.27766752
   0.08907631  0.80437776  0.03716534
   0.39471773  0.92742017  0.34233839
   0.42158395  0.88343570  0.15591283
   0.17747391  0.85435054  0.23208476
   0.31781473  0.64991186  0.46205009
   0.07883953  0.60370804  0.40081078
   0.11929190  0.56485415  0.58724770
   0.31481714  0.68988879  0.78162287
   0.09453130  0.81630771  0.52035620
   0.32780208  0.97782306  0.83807015
   0.44884226  0.91182097  0.66536323
   0.16487594  0.87901514  0.69512272
   0.30429192  0.65914126 -0.03044061
   0.05335043  0.60351479  0.91539484
   0.60484697  0.05473383  0.10099795
   0.81971252  0.21529876  0.31081803
   0.59051523  0.28392290  0.03850237
   0.85673065  0.45097062  0.34529193
   0.04232591  0.35073206  0.22203350
   0.78248289  0.38158093  0.15412209
   0.80335600  0.15694796  0.49142706
   0.54375951  0.10481417  0.45977256
   0.62456598  0.12982630  0.63950571
   0.82352846  0.19090993  0.78451803
   0.60006527  0.35201333  0.54492615
   0.85861551  0.43254827  0.85822143
   0.92404740  0.39917284  0.63551303
   0.69746160  0.43648752  0.71720514
   0.81482834  0.13312817  0.97908763
   0.57005939  0.07494288  0.91198036
   0.58097164  0.53346977  0.07139883
   0.86001642  0.69890734  0.29420206
   0.62363685  0.79182422  0.04035542
   0.86114597  0.95702290  0.35222510
   0.91446558  0.87917725  0.16761063
   0.66805926  0.86128073  0.22897090
   0.83111026  0.63100223  0.48481184
   0.58098399  0.56619926  0.40366472
   0.59897292  0.61197983  0.59228034
   0.85281801  0.68605895  0.78598062
   0.60397721  0.81103193  0.45803931
   0.89430657  0.94424775  0.85210548
   0.91010152  0.86690658  0.65357817
   0.68400149  0.89914581  0.75964505
   0.79104440  0.61688686  0.96619440
   0.55297664  0.61392908  0.89045507
   0.68300754  0.90438606  0.58729481
   0.66954764  0.87957830  0.44666890
   0.91176766  0.16939732  0.14068715
   0.75932084  0.45328703  0.33316086
   0.25624281  0.07725528  0.66706406
   0.23337588  0.66633659  0.74684301
   0.03347662  1.10211197  0.16682190
   0.18930939  1.01041551  0.00024776
   0.62453854  0.33831555  0.85533027
   0.86540799  0.49078578  0.63399498
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.707556    0.184851   -0.047893
    -0.000000    9.842425   -0.150589
    -0.000000   -0.000000   13.795978
   Si   O    H 
    32    64    10
Direct configuration=   423
   0.16480118  0.16127751 -0.02273338
   0.40165253  0.07271146  0.39641357
   0.13385349  0.39932506  0.13021998
   0.38448369  0.33373826  0.26311658
   0.13189653  0.15852621  0.49450218
   0.41443709  0.11024807  0.87291315
   0.08960821  0.40294196  0.62083157
   0.35201832  0.35729585  0.74926226
   0.14687501  0.65279832  0.00321602
   0.40670267  0.58922838  0.37938955
   0.07447850  0.89542664  0.13489860
   0.34972266  0.83231546  0.25009283
   0.15526366  0.65765920  0.49861323
   0.38075862  0.60235095  0.87210102
   0.04771909  0.91421975  0.61563424
   0.30020414  0.96221874  0.71890278
   0.64686347  0.13786162  1.00776968
   0.87931119  0.10851522  0.38588854
   0.62162772  0.38531816  0.12475946
   0.88598487  0.27577251  0.21065720
   0.64905219  0.19023857  0.53183478
   0.89095152  0.10268331  0.86775046
   0.58428012  0.46000880  0.63396864
   0.74447425  0.34135770  0.79693281
   0.63562582  0.63673003 -0.00563482
   0.90881231  0.59586738  0.38331611
   0.58184913  0.88634309  0.12763336
   0.82542196  0.84900105  0.26233271
   0.65892453  0.65936083  0.48651903
   0.89466994  0.58327778  0.87473934
   0.60685401  0.96333908  0.65966727
   0.84302840  0.84712684  0.76179209
   0.10774197  0.05882677  0.12795302
   0.38154225  0.17650599  0.30392132
   0.10777351  0.29732534  0.03102235
   0.35293139  0.43776334  0.34696428
   0.54269577  0.36758898  0.22420819
   0.29777827  0.36905679  0.16116978
   0.28030129  0.10003710  0.47532212
   0.03800541  0.16675852  0.39983512
   0.05968572  0.07361420  0.58731452
   0.42474483  0.20675182  0.76846295
   0.13203653  0.31326617  0.53207438
   0.35919630  0.44151995  0.85548213
   0.42319203  0.45916463  0.66581968
   0.19149356  0.35854264  0.71002780
   0.31593109  0.20998353 -0.05824783
   0.05291162  0.15089578  0.88502404
   0.11411736  0.54824827  0.09109834
   0.40002822  0.67969886  0.27700524
   0.08987814  0.80535504  0.03589830
   0.39568062  0.92947376  0.34322497
   0.42226015  0.88305047  0.15525086
   0.17786419  0.85485204  0.23314747
   0.31748659  0.65217904  0.46169644
   0.07805947  0.60344316  0.39898603
   0.11895986  0.56584222  0.58659073
   0.31624022  0.68970328  0.78299470
   0.09553569  0.81461801  0.51984153
   0.32963292  0.97687164  0.83801384
   0.44887291  0.91249479  0.66508158
   0.16504505  0.87967520  0.69543144
   0.30418291  0.65823609 -0.03156305
   0.05364616  0.60437311  0.91516191
   0.60607032  0.05558728  0.10165384
   0.81883045  0.21611025  0.31036781
   0.58985683  0.28394256  0.03876874
   0.85706690  0.45152107  0.34518971
   0.04245816  0.35107422  0.22251082
   0.78394467  0.38426413  0.15360194
   0.80301884  0.15799704  0.49109586
   0.54453528  0.10380913  0.45996342
   0.62319133  0.12837046  0.63975741
   0.82443882  0.19212116  0.78419088
   0.60057343  0.35160372  0.54566946
   0.85822870  0.43159370  0.85815459
   0.92114969  0.39637120  0.63502323
   0.69631352  0.43691817  0.71632926
   0.81217549  0.13385915  0.97728334
   0.57053278  0.07580063  0.91230045
   0.58047462  0.53161860  0.07109976
   0.86185344  0.69796933  0.29472782
   0.62696009  0.79226946  0.04071250
   0.86185327  0.95812911  0.35215619
   0.91397658  0.87899788  0.16816414
   0.66607236  0.86277317  0.22954485
   0.83110691  0.63065105  0.48434844
   0.57934918  0.56503392  0.40434661
   0.59770400  0.61124145  0.59278108
   0.85292475  0.68506897  0.78672057
   0.60275424  0.81049665  0.45870099
   0.89232081  0.94389753  0.85183793
   0.91255918  0.86809547  0.65425979
   0.68298439  0.89656842  0.75947862
   0.79212912  0.61665078  0.96729709
   0.55214779  0.61339086  0.88997453
   0.67344294  0.89988558  0.58485262
   0.66933912  0.88285171  0.44973706
   0.91643205  0.16466183  0.13687208
   0.76177191  0.45777066  0.33659940
   0.25748014  0.07665227  0.67094978
   0.22462983  0.66672251  0.74812525
   0.04144364  1.10469029  0.16938692
   0.19620283  1.01106161 -0.00368391
   0.62164464  0.33820749  0.85534514
   0.86724142  0.47802048  0.63257982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.707924    0.187728   -0.048847
    -0.000000    9.840881   -0.152687
    -0.000000   -0.000000   13.798092
   Si   O    H 
    32    64    10
Direct configuration=   424
   0.16369055  0.16023277 -0.02285051
   0.40278949  0.07199616  0.39647545
   0.13261580  0.39748776  0.13082998
   0.38717450  0.33477058  0.26331202
   0.13234106  0.15866115  0.49472401
   0.41375964  0.10947463  0.87309520
   0.09085522  0.40337911  0.62070565
   0.35399711  0.35641650  0.74925670
   0.14601770  0.65243037  0.00268457
   0.40584163  0.58873311  0.37900998
   0.07433180  0.89452856  0.13571972
   0.34932389  0.83201653  0.24942201
   0.15389811  0.65844693  0.49871849
   0.38078026  0.60058119  0.87233370
   0.04784017  0.91552136  0.61554717
   0.30041738  0.96215199  0.71910255
   0.64726896  0.13757900  1.00825718
   0.87815890  0.10744628  0.38611683
   0.62255389  0.38573315  0.12457715
   0.88589917  0.27526761  0.21054035
   0.64796398  0.19114827  0.53235096
   0.88967129  0.10233127  0.86660670
   0.58465057  0.46028783  0.63349760
   0.74498060  0.34401382  0.79697462
   0.63570409  0.63692549 -0.00600855
   0.90898760  0.59610278  0.38336936
   0.58276424  0.88597012  0.12696136
   0.82536378  0.85048782  0.26192586
   0.65995454  0.65912775  0.48602379
   0.89507549  0.58127078  0.87479283
   0.60669855  0.96248564  0.65884714
   0.84288996  0.84744419  0.76232479
   0.10837606  0.05856784  0.12804361
   0.38108440  0.17641250  0.30415812
   0.10619256  0.29762823  0.03162073
   0.35179919  0.43691260  0.34658547
   0.54268609  0.36690611  0.22311806
   0.29848074  0.37033506  0.16132874
   0.27743356  0.09987610  0.47524121
   0.03874317  0.16595539  0.39923900
   0.05815066  0.07337677  0.58747971
   0.42378825  0.20676129  0.76949149
   0.13147345  0.31202868  0.53121448
   0.35883505  0.44087387  0.85545271
   0.42278411  0.45785433  0.66517571
   0.19178146  0.35975054  0.71109191
   0.31733957  0.20827046 -0.05727466
   0.05357768  0.15240354  0.88557326
   0.11162239  0.54889694  0.08982994
   0.40064088  0.67819201  0.27683168
   0.09053064  0.80663248  0.03440230
   0.39637859  0.93162668  0.34332847
   0.42262182  0.88235266  0.15479439
   0.17892350  0.85509891  0.23392633
   0.31742934  0.65447632  0.46203708
   0.07689845  0.60286872  0.39728896
   0.11842563  0.56611209  0.58598951
   0.31654085  0.68908175  0.78373274
   0.09676690  0.81212905  0.51918630
   0.33186945  0.97621917  0.83788476
   0.44794170  0.91343489  0.66493366
   0.16538882  0.87970541  0.69575677
   0.30371150  0.65846929 -0.03216677
   0.05313778  0.60595225  0.91515667
   0.60702499  0.05539546  0.10302403
   0.81776901  0.21731265  0.30958517
   0.58841390  0.28329720  0.03914699
   0.85793650  0.45126989  0.34461414
   0.04170241  0.35142756  0.22266158
   0.78480692  0.38724088  0.15330274
   0.80338185  0.15930131  0.49073511
   0.54453555  0.10291072  0.46075994
   0.62247332  0.12698040  0.64003830
   0.82551877  0.19394018  0.78413072
   0.60107138  0.35111553  0.54613394
   0.85825102  0.43065976  0.85758313
   0.91899623  0.39426820  0.63504995
   0.69586701  0.43757085  0.71556340
   0.80932670  0.13375428  0.97634008
   0.57147054  0.07666258  0.91153715
   0.58005551  0.52973023  0.07136502
   0.86405025  0.69737388  0.29540546
   0.62975467  0.79269295  0.04051148
   0.86238102  0.95888318  0.35223511
   0.91376474  0.87848708  0.16785175
   0.66408268  0.86389624  0.23076445
   0.83010098  0.62989328  0.48375630
   0.57813306  0.56435264  0.40487167
   0.59592920  0.61144545  0.59317838
   0.85336342  0.68358250  0.78761560
   0.60167036  0.80977401  0.45921663
   0.89098090  0.94384693  0.85180803
   0.91382234  0.86936807  0.65489107
   0.68205696  0.89422794  0.75853999
   0.79364405  0.61620794  0.96777021
   0.55108033  0.61337226  0.88942344
   0.66707215  0.89577743  0.58122459
   0.66903419  0.88445541  0.45094358
   0.91802083  0.16103882  0.13457496
   0.75961700  0.46172588  0.33745453
   0.26190946  0.08399284  0.67144572
   0.22518856  0.66816383  0.75262463
   0.04608736  1.11176506  0.17548432
   0.20114732  1.01439248 -0.00835979
   0.62227210  0.33743321  0.85609555
   0.86792633  0.47010674  0.62943539
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.708183    0.190707   -0.050002
    -0.000000    9.839450   -0.154468
    -0.000000   -0.000000   13.800186
   Si   O    H 
    32    64    10
Direct configuration=   425
   0.16250057  0.15889594 -0.02259942
   0.40390222  0.07180453  0.39647694
   0.13182693  0.39547039  0.13139280
   0.38961432  0.33534362  0.26327228
   0.13226284  0.15966974  0.49480203
   0.41305141  0.10945021  0.87304794
   0.09145186  0.40423386  0.62043958
   0.35569105  0.35517739  0.74934100
   0.14512274  0.65204720  0.00233839
   0.40527260  0.58817978  0.37862970
   0.07401643  0.89359870  0.13636721
   0.34898058  0.83193742  0.24877000
   0.15371688  0.65879242  0.49882095
   0.38054056  0.59969236  0.87239701
   0.04900595  0.91658484  0.61495740
   0.30088920  0.96171148  0.71960914
   0.64733932  0.13727336  1.00868710
   0.87736310  0.10692631  0.38618420
   0.62405556  0.38628735  0.12383186
   0.88568729  0.27475803  0.21111613
   0.64698987  0.19130597  0.53276117
   0.88896009  0.10208989  0.86603292
   0.58393410  0.46020127  0.63259292
   0.74548915  0.34595038  0.79695405
   0.63583796  0.63730623 -0.00635761
   0.90889113  0.59678938  0.38343284
   0.58401388  0.88608708  0.12638336
   0.82551183  0.85141843  0.26176183
   0.66005475  0.65884791  0.48572106
   0.89591018  0.58010350  0.87511838
   0.60653740  0.96203315  0.65835694
   0.84298802  0.84714984  0.76296597
   0.10897463  0.05797389  0.12798945
   0.38127291  0.17618088  0.30427473
   0.10527976  0.29788099  0.03222954
   0.35079644  0.43669272  0.34676338
   0.54236396  0.36601033  0.22236774
   0.29842837  0.37205762  0.16170160
   0.27475013  0.09975553  0.47457220
   0.03867566  0.16564162  0.39814663
   0.05653713  0.07290050  0.58719854
   0.42274292  0.20741327  0.77048477
   0.13117841  0.31119601  0.53082811
   0.35835009  0.44035887  0.85524504
   0.42266011  0.45646856  0.66514095
   0.19216851  0.36070264  0.71167048
   0.31924040  0.20710821 -0.05564856
   0.05303259  0.15314089  0.88606119
   0.10908247  0.54916519  0.08855209
   0.40149982  0.67614783  0.27712010
   0.09104383  0.80758813  0.03312837
   0.39708404  0.93297086  0.34314867
   0.42294569  0.88087789  0.15432238
   0.18018503  0.85551618  0.23420347
   0.31694852  0.65665081  0.46247519
   0.07685576  0.60225599  0.39533047
   0.11815709  0.56611423  0.58530250
   0.31703527  0.68873009  0.78516553
   0.09823152  0.81017978  0.51886454
   0.33407122  0.97560955  0.83730659
   0.44652284  0.91479674  0.66480127
   0.16552697  0.87961706  0.69575125
   0.30417754  0.65807791 -0.03269530
   0.05217479  0.60821028  0.91435361
   0.60748308  0.05438613  0.10438554
   0.81604507  0.21809420  0.30910764
   0.58686416  0.28319654  0.03931423
   0.85919215  0.45059638  0.34355644
   0.04040702  0.35229100  0.22292678
   0.78630442  0.38897044  0.15317452
   0.80343398  0.16009240  0.49030862
   0.54454097  0.10255643  0.46152295
   0.62163511  0.12509697  0.64031919
   0.82683327  0.19474226  0.78403729
   0.60193433  0.34980810  0.54646498
   0.85848935  0.42895370  0.85725936
   0.91815656  0.39088357  0.63500782
   0.69587334  0.43896823  0.71452941
   0.80667747  0.13420108  0.97578533
   0.57152688  0.07802588  0.91111471
   0.57982181  0.52905066  0.07287038
   0.86550155  0.69722190  0.29615022
   0.63266855  0.79253738  0.04018358
   0.86275045  0.95955986  0.35251565
   0.91350348  0.87868884  0.16766449
   0.66208747  0.86463735  0.23145319
   0.82850618  0.62907977  0.48330759
   0.57677298  0.56370952  0.40507553
   0.59504897  0.61127036  0.59391181
   0.85433745  0.68296469  0.78795521
   0.60054606  0.80975557  0.45984123
   0.89007641  0.94318371  0.85171381
   0.91364003  0.86996336  0.65564729
   0.68160272  0.89230126  0.75788206
   0.79515433  0.61620955  0.96858339
   0.54916113  0.61340269  0.88904953
   0.66732283  0.88925511  0.57535407
   0.66749354  0.88412819  0.45353791
   0.91773575  0.16199017  0.13633530
   0.75208473  0.46534828  0.33848909
   0.26341598  0.09615410  0.67141333
   0.23326935  0.67103149  0.75632068
   0.05030901  1.11811520  0.17658317
   0.20503848  1.01892700 -0.01439315
   0.62378402  0.33575449  0.85782786
   0.86008713  0.47852859  0.62564376
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.708803    0.193734   -0.051475
    -0.000000    9.838177   -0.155960
    -0.000000   -0.000000   13.803053
   Si   O    H 
    32    64    10
Direct configuration=   426
   0.16128481  0.15779004 -0.02222419
   0.40534181  0.07234876  0.39619488
   0.13132467  0.39343581  0.13176162
   0.39133451  0.33583232  0.26351016
   0.13195126  0.16066507  0.49517704
   0.41192980  0.10914188  0.87270944
   0.09206978  0.40518994  0.62005184
   0.35672571  0.35462594  0.74986401
   0.14396121  0.65164274  0.00205080
   0.40483106  0.58808784  0.37813528
   0.07432389  0.89252411  0.13714251
   0.34827472  0.83189247  0.24858687
   0.15327010  0.65912848  0.49906635
   0.38110875  0.59885018  0.87248966
   0.04984708  0.91843042  0.61390989
   0.30178392  0.96110222  0.72017725
   0.64712653  0.13719901  1.00862101
   0.87680002  0.10762964  0.38627892
   0.62585567  0.38661890  0.12297204
   0.88482982  0.27482557  0.21144193
   0.64629946  0.19121026  0.53345661
   0.88850420  0.10226626  0.86632530
   0.58310807  0.45981959  0.63210987
   0.74637087  0.34775065  0.79743938
   0.63545897  0.63721326 -0.00661662
   0.90866162  0.59749634  0.38342706
   0.58493673  0.88653363  0.12627055
   0.82543568  0.85223177  0.26167811
   0.65997940  0.65866739  0.48547916
   0.89684243  0.57971009  0.87596305
   0.60648186  0.96143982  0.65800415
   0.84265693  0.84615580  0.76341168
   0.10922588  0.05741347  0.12850463
   0.38142905  0.17617042  0.30443379
   0.10452115  0.29797497  0.03305709
   0.34950762  0.43700448  0.34709510
   0.54306745  0.36508235  0.22165149
   0.29717505  0.37466871  0.16202496
   0.27429441  0.09953415  0.47389834
   0.03907440  0.16486591  0.39724367
   0.05492272  0.07296097  0.58722417
   0.42193157  0.20804695  0.77192792
   0.13175070  0.31132526  0.53040399
   0.35815378  0.43939852  0.85460463
   0.42238292  0.45470182  0.66590472
   0.19260337  0.36139597  0.71209038
   0.32136032  0.20580325 -0.05443768
   0.05220751  0.15415966  0.88635613
   0.10756775  0.54892109  0.08780431
   0.40278168  0.67437510  0.27808408
   0.09220044  0.80738521  0.03270511
   0.39687848  0.93343760  0.34240417
   0.42425422  0.87953771  0.15359201
   0.18155385  0.85616942  0.23391016
   0.31566120  0.65862637  0.46319176
   0.07677747  0.60107107  0.39343739
   0.11793197  0.56553157  0.58516450
   0.31774252  0.68822623  0.78626998
   0.09951543  0.80950480  0.51922119
   0.33600543  0.97409243  0.83649654
   0.44601669  0.91522630  0.66486973
   0.16558437  0.88039063  0.69567410
   0.30444958  0.65726037 -0.03295724
   0.05057897  0.61011754  0.91364562
   0.60830089  0.05296459  0.10592220
   0.81470458  0.21830977  0.30843668
   0.58532753  0.28334195  0.03919730
   0.85951776  0.44946131  0.34227540
   0.03839237  0.35317716  0.22337742
   0.78767799  0.38898144  0.15303730
   0.80370280  0.16049690  0.48994990
   0.54381245  0.10184195  0.46127186
   0.62084375  0.12303783  0.64098967
   0.82803574  0.19510137  0.78337730
   0.60276892  0.34882127  0.54673651
   0.85892932  0.42776375  0.85691995
   0.91816513  0.38862359  0.63485062
   0.69641783  0.43988397  0.71400784
   0.80472380  0.13468299  0.97487059
   0.57097310  0.07905191  0.91104908
   0.57925432  0.52917112  0.07368130
   0.86648285  0.69697755  0.29615603
   0.63544837  0.79181241  0.03961097
   0.86223718  0.95980062  0.35233168
   0.91382676  0.87852006  0.16805881
   0.66060977  0.86497525  0.23236272
   0.82617658  0.62857231  0.48351751
   0.57479172  0.56242475  0.40512749
   0.59503598  0.61077662  0.59477015
   0.85495997  0.68316731  0.78807494
   0.59913513  0.80992111  0.46012096
   0.88988534  0.94219620  0.85176181
   0.91252281  0.87028060  0.65629511
   0.68045754  0.89015620  0.75651060
   0.79632820  0.61681270  0.96865669
   0.54725492  0.61433843  0.88941639
   0.66781922  0.88885744  0.57435424
   0.66417338  0.88152252  0.45400606
   0.91281058  0.16568659  0.13947435
   0.75317071  0.46664250  0.33901338
   0.26821798  0.10479225  0.67139368
   0.23221265  0.67019707  0.75583812
   0.05509134  1.11876204  0.17154179
   0.20733967  1.01837187 -0.01905473
   0.62599556  0.33482510  0.85916273
   0.85997221  0.47999063  0.62242680
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.709305    0.197091   -0.053260
    -0.000000    9.837345   -0.157642
    -0.000000   -0.000000   13.806073
   Si   O    H 
    32    64    10
Direct configuration=   427
   0.15988297  0.15658657 -0.02203652
   0.40642723  0.07341733  0.39583833
   0.13144357  0.39151849  0.13145434
   0.39300008  0.33622560  0.26356426
   0.13132721  0.16169307  0.49534799
   0.41110770  0.10903215  0.87271935
   0.09317132  0.40629084  0.61974303
   0.35731932  0.35476232  0.75035165
   0.14333684  0.65111905  0.00248706
   0.40453903  0.58779700  0.37813879
   0.07475159  0.89131474  0.13851996
   0.34788627  0.83188092  0.24861160
   0.15300923  0.65948302  0.49883622
   0.38158089  0.59772239  0.87261534
   0.05059466  0.91983259  0.61309885
   0.30244880  0.96111271  0.72074722
   0.64763154  0.13688519  1.00889317
   0.87692535  0.10909988  0.38642538
   0.62776297  0.38719123  0.12224869
   0.88463048  0.27469451  0.21164657
   0.64597849  0.19078879  0.53404026
   0.88809975  0.10275974  0.86693758
   0.58243313  0.45941217  0.63182985
   0.74737295  0.34900413  0.79819893
   0.63455988  0.63675069 -0.00680412
   0.90859606  0.59789868  0.38307049
   0.58579325  0.88705019  0.12607953
   0.82501598  0.85271405  0.26195194
   0.65970110  0.65877491  0.48539350
   0.89746738  0.57970008  0.87732899
   0.60654266  0.96088451  0.65745987
   0.84247168  0.84522374  0.76387878
   0.10935131  0.05676211  0.12976434
   0.38173599  0.17581364  0.30461276
   0.10349738  0.29826864  0.03413965
   0.34837956  0.43769904  0.34730383
   0.54472208  0.36454039  0.22131314
   0.29587041  0.37658787  0.16248840
   0.27495475  0.09828319  0.47350594
   0.03921145  0.16376844  0.39636270
   0.05349564  0.07376213  0.58679229
   0.42048214  0.20924368  0.77310335
   0.13207461  0.31157249  0.53001443
   0.35772160  0.43815420  0.85386887
   0.42279228  0.45327192  0.66680484
   0.19292220  0.36148084  0.71299789
   0.32283899  0.20548161 -0.05338561
   0.05122398  0.15432370  0.88665162
   0.10632708  0.54894038  0.08778868
   0.40423766  0.67302459  0.27860711
   0.09323504  0.80679770  0.03213241
   0.39663413  0.93215984  0.34152967
   0.42569601  0.87881667  0.15246266
   0.18242284  0.85670037  0.23363428
   0.31457262  0.66034323  0.46407388
   0.07668716  0.60000286  0.39212888
   0.11779978  0.56489010  0.58524489
   0.31906354  0.68794418  0.78716534
   0.09987249  0.81004891  0.52011321
   0.33771988  0.97243915  0.83567759
   0.44512137  0.91560748  0.66498668
   0.16558986  0.88165029  0.69566486
   0.30508837  0.65667959 -0.03222176
   0.04936179  0.61270319  0.91270737
   0.60990548  0.05014479  0.10781425
   0.81371744  0.21844449  0.30787541
   0.58349137  0.28324810  0.03884071
   0.85991381  0.44892435  0.34099943
   0.03743129  0.35400572  0.22351455
   0.78919522  0.38885653  0.15317746
   0.80314239  0.16034202  0.48974001
   0.54336790  0.10109321  0.46105709
   0.62077231  0.12111864  0.64174323
   0.82830418  0.19564044  0.78282591
   0.60379846  0.34819824  0.54599476
   0.85902028  0.42747406  0.85691311
   0.91899657  0.38705225  0.63410996
   0.69680497  0.44140653  0.71309250
   0.80313465  0.13505066  0.97342535
   0.56956179  0.08046919  0.91038445
   0.57837434  0.52930229  0.07455963
   0.86749929  0.69774579  0.29581009
   0.63725579  0.79164103  0.03880273
   0.86180655  0.95964026  0.35221625
   0.91465591  0.87903548  0.16788395
   0.66052193  0.86532746  0.23334375
   0.82405043  0.62790012  0.48345777
   0.57335513  0.56113001  0.40544288
   0.59597032  0.61105277  0.59536225
   0.85685752  0.68359002  0.78876564
   0.59742659  0.80968925  0.46046625
   0.88989939  0.94133954  0.85218708
   0.91146070  0.87083087  0.65697701
   0.67928087  0.88889650  0.75533348
   0.79742419  0.61766349  0.96892933
   0.54619399  0.61491584  0.89018919
   0.67327644  0.89046404  0.57553082
   0.66304453  0.88279800  0.45567632
   0.91008797  0.16821461  0.14451739
   0.76260236  0.46419962  0.33853435
   0.27365025  0.10476440  0.67418805
   0.22484068  0.66797978  0.75512814
   0.05945467  1.11623776  0.16341763
   0.20712631  1.01435712 -0.02028583
   0.63016582  0.33268228  0.85990631
   0.86759195  0.47069037  0.62254850
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.710165    0.200849   -0.055487
    -0.000000    9.837340   -0.158699
    -0.000000   -0.000000   13.809142
   Si   O    H 
    32    64    10
Direct configuration=   428
   0.15908129  0.15557283 -0.02210435
   0.40590107  0.07435868  0.39554378
   0.13143403  0.39001314  0.13075794
   0.39471211  0.33624839  0.26312113
   0.12979011  0.16222685  0.49546946
   0.41056178  0.10953604  0.87246463
   0.09395855  0.40757256  0.62011171
   0.35759790  0.35538152  0.75077302
   0.14273751  0.65035230  0.00304189
   0.40463133  0.58729999  0.37805549
   0.07499367  0.89027461  0.13914932
   0.34791967  0.83155488  0.24841645
   0.15265180  0.65954659  0.49890028
   0.38146201  0.59691770  0.87272668
   0.05200106  0.92116372  0.61242648
   0.30386108  0.96172458  0.72108604
   0.64822119  0.13705137  1.00919791
   0.87743465  0.11116350  0.38644786
   0.62860737  0.38770357  0.12160674
   0.88378470  0.27478959  0.21205634
   0.64581224  0.19078864  0.53467127
   0.88737422  0.10322880  0.86776299
   0.58140182  0.45897361  0.63100284
   0.74845813  0.35020189  0.79941880
   0.63385554  0.63597344 -0.00729091
   0.90854421  0.59779640  0.38216504
   0.58616979  0.88802340  0.12562636
   0.82485031  0.85260012  0.26215770
   0.65904795  0.65936982  0.48522551
   0.89836138  0.58070714  0.87898041
   0.60649461  0.96002034  0.65691351
   0.84241102  0.84375398  0.76470604
   0.11099697  0.05494298  0.13035904
   0.38213994  0.17604443  0.30472548
   0.10257043  0.29853896  0.03503113
   0.34692064  0.43816906  0.34745362
   0.54553837  0.36391388  0.22103671
   0.29483421  0.37837219  0.16271164
   0.27657646  0.09690746  0.47313916
   0.03918122  0.16210141  0.39538860
   0.05186096  0.07522069  0.58582959
   0.41944909  0.20985054  0.77474110
   0.13278291  0.31326905  0.52948275
   0.35770748  0.43701517  0.85278250
   0.42441065  0.45220580  0.66744452
   0.19322006  0.36158684  0.71326910
   0.32451338  0.20557942 -0.05267540
   0.05020834  0.15517518  0.88663275
   0.10512027  0.54928181  0.08772886
   0.40574609  0.67221541  0.27921794
   0.09445895  0.80647769  0.03138940
   0.39606410  0.93020427  0.33995758
   0.42662279  0.87868082  0.15201419
   0.18274434  0.85708232  0.23324446
   0.31311355  0.66256052  0.46509584
   0.07644051  0.59910226  0.39155334
   0.11733287  0.56319521  0.58610375
   0.31991540  0.68752451  0.78704525
   0.09985880  0.81042134  0.52058360
   0.33940366  0.97105039  0.83497552
   0.44459290  0.91668287  0.66447224
   0.16475344  0.88286676  0.69541311
   0.30558399  0.65552138 -0.03116889
   0.04862285  0.61408477  0.91195011
   0.61069075  0.04813503  0.10921205
   0.81272207  0.21845287  0.30683182
   0.58212506  0.28349372  0.03885564
   0.85990454  0.44857610  0.33977439
   0.03624499  0.35378512  0.22378965
   0.79013351  0.38913032  0.15312318
   0.80200088  0.15994558  0.48987707
   0.54234456  0.09993255  0.46036716
   0.62111264  0.11976605  0.64205455
   0.82846188  0.19597149  0.78201994
   0.60381515  0.34742471  0.54513277
   0.86060578  0.42724417  0.85708409
   0.92046521  0.38612057  0.63338950
   0.69593939  0.44260851  0.71216333
   0.80141476  0.13457426  0.97191267
   0.56805727  0.08123593  0.91014426
   0.57633836  0.52924604  0.07562018
   0.86784837  0.70030117  0.29539004
   0.63963609  0.79111403  0.03756334
   0.86102002  0.95927310  0.35191071
   0.91646878  0.87973156  0.16739408
   0.66077708  0.86472464  0.23405321
   0.82277300  0.62754809  0.48325471
   0.57096689  0.56013041  0.40587309
   0.59716409  0.61159380  0.59533723
   0.85831726  0.68401149  0.78952551
   0.59592825  0.80896647  0.46070016
   0.89051570  0.93993303  0.85235777
   0.91050192  0.87068406  0.65806520
   0.67770078  0.88747399  0.75382928
   0.79768745  0.61878024  0.96904032
   0.54538644  0.61600422  0.89074962
   0.67796231  0.89437407  0.58005698
   0.65951696  0.88457662  0.45634379
   0.91064713  0.16429358  0.14551149
   0.76445062  0.46121619  0.33779839
   0.27875448  0.09734361  0.67922152
   0.22623523  0.67034168  0.75846300
   0.05070346  1.12573906  0.16281803
   0.20397404  1.01004973 -0.01725192
   0.62949278  0.32977564  0.86193130
   0.87602221  0.46874085  0.62244844
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.711291    0.205415   -0.058376
    -0.000000    9.837285   -0.159896
    -0.000000   -0.000000   13.812116
   Si   O    H 
    32    64    10
Direct configuration=   429
   0.15858182  0.15485044 -0.02230523
   0.40515325  0.07520703  0.39530780
   0.13131410  0.38811723  0.13008091
   0.39540521  0.33591893  0.26242275
   0.12844529  0.16267336  0.49536841
   0.41026770  0.10958911  0.87207217
   0.09539658  0.40813592  0.62111557
   0.35803473  0.35629740  0.75147416
   0.14234872  0.64917798  0.00363647
   0.40494082  0.58696127  0.37833495
   0.07562503  0.88942855  0.13962025
   0.34705367  0.83119370  0.24869821
   0.15201578  0.66001105  0.49808184
   0.38080734  0.59626330  0.87286344
   0.05333787  0.92166036  0.61151656
   0.30563380  0.96258958  0.72132588
   0.64803842  0.13725498  1.00957799
   0.87690868  0.11312227  0.38690861
   0.62930953  0.38850883  0.12160249
   0.88294736  0.27533911  0.21218249
   0.64565097  0.19011106  0.53515809
   0.88710884  0.10286187  0.86893479
   0.58047589  0.45854672  0.63007080
   0.74959981  0.35107551  0.80070905
   0.63296136  0.63517526 -0.00763059
   0.90821402  0.59778057  0.38135036
   0.58666988  0.88950301  0.12518092
   0.82471669  0.85186378  0.26248119
   0.65844333  0.66058753  0.48498599
   0.89911776  0.58192233  0.88053505
   0.60631900  0.95911238  0.65603706
   0.84210359  0.84233066  0.76561615
   0.11310932  0.05336151  0.13080467
   0.38304588  0.17603651  0.30493014
   0.10067062  0.29848430  0.03531836
   0.34574372  0.43934008  0.34752637
   0.54610574  0.36401153  0.22088268
   0.29390033  0.37915988  0.16354305
   0.27869556  0.09543024  0.47228894
   0.03953217  0.16028892  0.39380486
   0.05052497  0.07707400  0.58465011
   0.41904114  0.21073156  0.77658178
   0.13356533  0.31617372  0.52900482
   0.35794287  0.43627245  0.85188381
   0.42565477  0.45090908  0.66843682
   0.19418188  0.36106391  0.71304567
   0.32568140  0.20496596 -0.05185333
   0.04824104  0.15598628  0.88603086
   0.10449671  0.54806113  0.08758839
   0.40725148  0.67169624  0.27942043
   0.09570617  0.80607015  0.03084156
   0.39505126  0.92814473  0.33834072
   0.42681818  0.87809874  0.15172239
   0.18249584  0.85778680  0.23322530
   0.31155767  0.66471943  0.46692185
   0.07612451  0.59946742  0.39134032
   0.11749364  0.56290334  0.58696772
   0.32001466  0.68737512  0.78680494
   0.10002237  0.81102108  0.52143360
   0.34150131  0.97007997  0.83402678
   0.44394512  0.91841010  0.66372727
   0.16372073  0.88425207  0.69514496
   0.30494394  0.65443639 -0.02952862
   0.04808108  0.61504143  0.91099887
   0.61212482  0.04607971  0.11003226
   0.81197866  0.21743694  0.30605796
   0.58060928  0.28413348  0.03825953
   0.86002963  0.44868637  0.33930854
   0.03561991  0.35293317  0.22408153
   0.79089180  0.38847562  0.15305603
   0.80066653  0.15919715  0.48965169
   0.54217524  0.09903642  0.45969904
   0.62155353  0.12038068  0.64235477
   0.82855400  0.19708798  0.78139915
   0.60361602  0.34708742  0.54388736
   0.86287688  0.42783263  0.85815361
   0.92297810  0.38540404  0.63316347
   0.69564205  0.44433590  0.71171073
   0.80003649  0.13422848  0.97063371
   0.56658777  0.08167923  0.91029801
   0.57373254  0.53005038  0.07577142
   0.86746953  0.70249512  0.29529483
   0.64206007  0.79031152  0.03669171
   0.85972469  0.95889853  0.35181583
   0.91731774  0.88023595  0.16714084
   0.66173052  0.86462469  0.23474364
   0.82098441  0.62713768  0.48281205
   0.56883859  0.55943831  0.40666934
   0.59897512  0.61224590  0.59464324
   0.85990036  0.68475218  0.78985908
   0.59506872  0.80844371  0.46109494
   0.89096492  0.93830318  0.85211470
   0.90851108  0.87130629  0.65835521
   0.67568490  0.88624291  0.75254338
   0.79785356  0.61986750  0.96918325
   0.54422053  0.61790384  0.89203419
   0.68402728  0.89558629  0.58539859
   0.65235356  0.88505383  0.45948210
   0.90747462  0.15810929  0.14301116
   0.75554671  0.46035309  0.33594710
   0.27947902  0.08869695  0.68544111
   0.23596596  0.67242078  0.76476407
   0.04334216  1.12921303  0.15987168
   0.19690999  1.00651437 -0.01450103
   0.62807661  0.32672008  0.86266489
   0.87793553  0.47566752  0.61754639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.712153    0.209717   -0.061722
    -0.000000    9.837258   -0.160975
    -0.000000   -0.000000   13.815173
   Si   O    H 
    32    64    10
Direct configuration=   430
   0.15730874  0.15436382 -0.02287263
   0.40494803  0.07601506  0.39528027
   0.13095474  0.38668539  0.12935646
   0.39661403  0.33578907  0.26137564
   0.12750471  0.16270560  0.49510091
   0.40940071  0.10978171  0.87190980
   0.09677426  0.40806693  0.62202298
   0.35816634  0.35736198  0.75184905
   0.14199096  0.64785095  0.00428816
   0.40570993  0.58691203  0.37893274
   0.07682102  0.88909987  0.13989822
   0.34647131  0.83061365  0.24854109
   0.15131043  0.66003993  0.49744838
   0.38031735  0.59586305  0.87309783
   0.05465245  0.92184273  0.61121538
   0.30735236  0.96360610  0.72131258
   0.64727293  0.13712175  1.01014646
   0.87633544  0.11540653  0.38698133
   0.62961103  0.38999241  0.12181441
   0.88263465  0.27654613  0.21200415
   0.64533438  0.18892068  0.53552027
   0.88727090  0.10278622  0.87004837
   0.57968763  0.45896767  0.62945065
   0.74990568  0.35147836  0.80155014
   0.63243201  0.63501074 -0.00788622
   0.90841570  0.59793296  0.38072852
   0.58680260  0.89049107  0.12474741
   0.82474879  0.85166440  0.26301944
   0.65802714  0.66105752  0.48474219
   0.89935348  0.58353197  0.88225353
   0.60631436  0.95808778  0.65559248
   0.84155963  0.84146648  0.76645354
   0.11501094  0.05281350  0.13132351
   0.38395366  0.17584205  0.30447955
   0.09908330  0.29796253  0.03548031
   0.34446006  0.44020041  0.34795797
   0.54667118  0.36315455  0.22082115
   0.29331319  0.37925926  0.16418896
   0.28027492  0.09483885  0.47210952
   0.03943400  0.15920369  0.39242457
   0.04984642  0.07920855  0.58377891
   0.41814543  0.21176717  0.77827541
   0.13472813  0.31960464  0.52865105
   0.35747616  0.43576517  0.85106593
   0.42726477  0.44921987  0.66921900
   0.19451775  0.36003864  0.71266764
   0.32620871  0.20375600 -0.05080453
   0.04606605  0.15618655  0.88521718
   0.10362008  0.54646394  0.08774494
   0.40819675  0.67133999  0.27960310
   0.09619592  0.80560160  0.03060485
   0.39411313  0.92684308  0.33689917
   0.42702458  0.87873415  0.15096762
   0.18226853  0.85786763  0.23319314
   0.31063998  0.66705751  0.46892691
   0.07673586  0.60009241  0.39154628
   0.11809104  0.56243715  0.58748684
   0.32113333  0.68839068  0.78734488
   0.10062370  0.81238044  0.52172035
   0.34324725  0.96891529  0.83314141
   0.44385032  0.91999992  0.66288386
   0.16275992  0.88591820  0.69537277
   0.30396131  0.65352095 -0.02808177
   0.04861472  0.61593021  0.90988871
   0.61349791  0.04422868  0.11022517
   0.81078010  0.21711059  0.30518794
   0.57987149  0.28485734  0.03795066
   0.85938816  0.44920058  0.33895860
   0.03536655  0.35245540  0.22383132
   0.79131927  0.38734549  0.15248217
   0.79956763  0.15748110  0.48911032
   0.54261126  0.09902298  0.45946113
   0.62190951  0.12200979  0.64212846
   0.82938946  0.19792027  0.78076889
   0.60442375  0.34643719  0.54293744
   0.86472989  0.42854171  0.85967228
   0.92550060  0.38409893  0.63256921
   0.69527496  0.44559054  0.71114847
   0.79858101  0.13328173  0.96918020
   0.56488215  0.08303035  0.91039051
   0.57162398  0.53088063  0.07607892
   0.86721108  0.70384675  0.29497695
   0.64397038  0.78984009  0.03587366
   0.85848863  0.95835492  0.35194597
   0.91868851  0.88070096  0.16760355
   0.66257915  0.86426592  0.23559577
   0.81886885  0.62663997  0.48196757
   0.56645796  0.55968942  0.40775830
   0.60057720  0.61222284  0.59336712
   0.86128543  0.68512260  0.79001989
   0.59414524  0.80739117  0.46106984
   0.89172320  0.93727804  0.85163759
   0.90675998  0.87161164  0.65859888
   0.67389738  0.88468728  0.75146552
   0.79789127  0.62071444  0.96904286
   0.54297947  0.62060650  0.89352571
   0.69473380  0.89647603  0.58403964
   0.64724879  0.88954972  0.46281163
   0.90119068  0.15196699  0.13904741
   0.75171627  0.45953675  0.33384662
   0.27982888  0.09017085  0.69017438
   0.22679318  0.67343975  0.76701240
   0.04753077  1.11795670  0.15438527
   0.18741173  1.00436251 -0.01281081
   0.63024285  0.32341545  0.86194780
   0.88303626  0.47949836  0.61309160
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713067    0.213773   -0.065036
    -0.000000    9.836916   -0.162240
    -0.000000   -0.000000   13.818286
   Si   O    H 
    32    64    10
Direct configuration=   431
   0.15585067  0.15416112 -0.02348777
   0.40434889  0.07702256  0.39549309
   0.13066443  0.38572596  0.12853826
   0.39764276  0.33570479  0.25990831
   0.12605978  0.16228664  0.49465741
   0.40829043  0.11028938  0.87175426
   0.09771804  0.40868997  0.62336099
   0.35830525  0.35790635  0.75224414
   0.14163246  0.64644408  0.00456821
   0.40663499  0.58676847  0.37896624
   0.07813561  0.88833617  0.13995364
   0.34601990  0.83020584  0.24838732
   0.15012308  0.66022027  0.49662151
   0.38023250  0.59585470  0.87372386
   0.05548295  0.92182031  0.61082953
   0.30930231  0.96380329  0.72116755
   0.64659447  0.13724035  1.01055329
   0.87576782  0.11817204  0.38701709
   0.62942789  0.39141160  0.12198492
   0.88222461  0.27782495  0.21161487
   0.64482774  0.18799005  0.53563614
   0.88712497  0.10278915  0.87117208
   0.57945541  0.45945331  0.62894021
   0.75010185  0.35117452  0.80208134
   0.63302046  0.63456330 -0.00819535
   0.90814100  0.59803649  0.38050815
   0.58679515  0.89117755  0.12534863
   0.82497346  0.85215144  0.26312820
   0.65707002  0.66114470  0.48455430
   0.89908757  0.58556347  0.88349701
   0.60589633  0.95737052  0.65575383
   0.84013758  0.84091309  0.76667175
   0.11658483  0.05190858  0.13152611
   0.38468260  0.17610725  0.30428496
   0.09852260  0.29633627  0.03546226
   0.34411224  0.44063595  0.34877162
   0.54731852  0.36307524  0.22049817
   0.29329567  0.37924774  0.16474695
   0.28128326  0.09506291  0.47190763
   0.03940017  0.15840807  0.39144783
   0.04929565  0.08048046  0.58291112
   0.41677901  0.21263924  0.77938739
   0.13547340  0.32309442  0.52759826
   0.35747712  0.43647744  0.85106076
   0.42854017  0.44754773  0.66992652
   0.19415671  0.35958037  0.71252396
   0.32718466  0.20276784 -0.04920005
   0.04394556  0.15694206  0.88507281
   0.10311270  0.54495374  0.08863267
   0.40861979  0.67114506  0.27970945
   0.09671656  0.80525497  0.03056653
   0.39299583  0.92630279  0.33607240
   0.42744019  0.87944670  0.15045622
   0.18235464  0.85731618  0.23276286
   0.31057618  0.66922534  0.47077014
   0.07794358  0.60067502  0.39221131
   0.11913786  0.56241240  0.58841315
   0.32210339  0.68935050  0.78785418
   0.10135919  0.81467221  0.52211572
   0.34561339  0.96763327  0.83254078
   0.44451989  0.92126953  0.66196233
   0.16219857  0.88690048  0.69556328
   0.30241735  0.65280087 -0.02637971
   0.04953061  0.61692216  0.90909371
   0.61490012  0.04292910  0.11040465
   0.80938387  0.21680885  0.30382921
   0.57959119  0.28479406  0.03698463
   0.85764853  0.44974882  0.33832203
   0.03464482  0.35177805  0.22371510
   0.79226428  0.38543704  0.15149177
   0.79755636  0.15631802  0.48874510
   0.54401781  0.09926077  0.45928731
   0.62195573  0.12366877  0.64208810
   0.82998616  0.19858791  0.78094703
   0.60538074  0.34581710  0.54228096
   0.86672915  0.42884811  0.86032147
   0.92828927  0.38281669  0.63224650
   0.69576035  0.44629003  0.71141300
   0.79759455  0.13259336  0.96780620
   0.56407773  0.08453443  0.91124703
   0.57055228  0.53206175  0.07598402
   0.86690118  0.70453940  0.29488775
   0.64498711  0.78969675  0.03502470
   0.85728769  0.95786462  0.35236142
   0.91917678  0.88119543  0.16815886
   0.66380112  0.86329438  0.23635708
   0.81755294  0.62607595  0.48091617
   0.56488121  0.56056117  0.40890108
   0.60236573  0.61294223  0.59165864
   0.86152455  0.68470275  0.78898743
   0.59289032  0.80744370  0.46039329
   0.89295012  0.93693643  0.85102976
   0.90517413  0.87140774  0.65889448
   0.67318219  0.88362992  0.75070973
   0.79699914  0.62154554  0.96901745
   0.54188955  0.62311921  0.89414484
   0.70507008  0.89808583  0.57996675
   0.64259007  0.89510253  0.46596272
   0.89446315  0.15234957  0.13651100
   0.75952594  0.46116710  0.33460506
   0.27655516  0.10133661  0.69159876
   0.21575085  0.67290547  0.76895695
   0.05031731  1.10887916  0.15058070
   0.17555147  1.00585478 -0.00886380
   0.62913760  0.32059440  0.86232912
   0.89392526  0.47504563  0.61347906
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.714289    0.217326   -0.068110
    -0.000000    9.836161   -0.163398
    -0.000000   -0.000000   13.821182
   Si   O    H 
    32    64    10
Direct configuration=   432
   0.15441295  0.15331279 -0.02416382
   0.40457774  0.07792699  0.39499211
   0.13056237  0.38523717  0.12809961
   0.39798813  0.33551555  0.25875339
   0.12496972  0.16197625  0.49450087
   0.40780473  0.11110583  0.87195727
   0.09825125  0.40927120  0.62439585
   0.35791212  0.35848217  0.75236154
   0.14134713  0.64513476  0.00464587
   0.40742434  0.58652232  0.37919822
   0.07917915  0.88770719  0.13983876
   0.34559763  0.82999062  0.24798616
   0.14871566  0.65964130  0.49603848
   0.38002774  0.59533832  0.87457898
   0.05548655  0.92182114  0.61072996
   0.31071034  0.96399273  0.72013090
   0.64507538  0.13674590  1.01078357
   0.87548447  0.11970401  0.38747645
   0.62883227  0.39283131  0.12223990
   0.88260267  0.27857244  0.21113877
   0.64463445  0.18713912  0.53589168
   0.88734512  0.10313170  0.87237766
   0.57893731  0.46079115  0.62835026
   0.75030534  0.35097196  0.80232789
   0.63404247  0.63386007 -0.00786956
   0.90814680  0.59831755  0.38016752
   0.58650266  0.89076939  0.12595383
   0.82457487  0.85281591  0.26308934
   0.65627346  0.66121340  0.48490538
   0.89763711  0.58739979  0.88457976
   0.60531410  0.95571979  0.65579393
   0.83930040  0.84049670  0.76683927
   0.11891547  0.05009069  0.13147160
   0.38490336  0.17756077  0.30365190
   0.09790352  0.29385988  0.03555605
   0.34433157  0.44125919  0.34964375
   0.54851748  0.36243566  0.22037679
   0.29284154  0.37858435  0.16556305
   0.28151747  0.09524461  0.47226458
   0.03813787  0.15775239  0.39145359
   0.04939004  0.08128938  0.58179471
   0.41609564  0.21366035  0.77960546
   0.13568176  0.32565064  0.52660264
   0.35830155  0.43807038  0.85194902
   0.42978404  0.44549960  0.67049032
   0.19439080  0.35880728  0.71227708
   0.32797617  0.20134603 -0.04828726
   0.04210076  0.15848576  0.88507780
   0.10232587  0.54345118  0.08946018
   0.40842123  0.67068481  0.27987904
   0.09720429  0.80441167  0.03173558
   0.39226378  0.92604381  0.33583787
   0.42721436  0.88057337  0.15024053
   0.18233769  0.85672779  0.23223616
   0.31035605  0.67106778  0.47188812
   0.07893467  0.60203373  0.39282653
   0.11940932  0.56271195  0.58924022
   0.32267428  0.69083100  0.78853330
   0.10326305  0.81687255  0.52226128
   0.34732458  0.96630059  0.83183286
   0.44507639  0.92260321  0.66099222
   0.16303319  0.88820602  0.69596753
   0.30072609  0.65151690 -0.02491878
   0.05029648  0.61746238  0.90817797
   0.61677105  0.04220472  0.10975106
   0.80778985  0.21635426  0.30305103
   0.58005687  0.28502865  0.03658007
   0.85640470  0.44992181  0.33828548
   0.03349176  0.35055944  0.22378934
   0.79360846  0.38411658  0.15077725
   0.79532534  0.15470805  0.48811000
   0.54514067  0.10091972  0.45953261
   0.62178549  0.12488765  0.64219319
   0.83018184  0.19909511  0.78099387
   0.60681721  0.34510485  0.54137728
   0.86836329  0.42919239  0.86074936
   0.93132595  0.38298808  0.63177705
   0.69691792  0.44623091  0.71242948
   0.79678721  0.13189631  0.96614137
   0.56328944  0.08560686  0.91267805
   0.56916979  0.53308635  0.07604536
   0.86631705  0.70524315  0.29539515
   0.64585871  0.78894149  0.03490060
   0.85578284  0.95769016  0.35365774
   0.91949536  0.88121290  0.16856702
   0.66557871  0.86339994  0.23688200
   0.81658891  0.62549620  0.47942137
   0.56346615  0.56154374  0.40958969
   0.60312306  0.61342578  0.59038544
   0.86268382  0.68295575  0.78857611
   0.59240034  0.80851832  0.46004927
   0.89487469  0.93715881  0.85056472
   0.90500489  0.87133309  0.65898062
   0.67271270  0.88296636  0.75001570
   0.79578016  0.62217151  0.96918944
   0.54091343  0.62517358  0.89485730
   0.71099085  0.90249681  0.57533626
   0.63751335  0.89046468  0.47001629
   0.89128862  0.15587231  0.13716474
   0.76270281  0.45740452  0.33464455
   0.27118193  0.11014196  0.68782478
   0.21861765  0.67744377  0.77158850
   0.03376710  1.11649585  0.15260515
   0.16514927  1.00997160 -0.00797544
   0.63058919  0.32085829  0.86191774
   0.90291193  0.46853323  0.61429311
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.715625    0.221110   -0.071277
    -0.000000    9.835634   -0.164662
    -0.000000   -0.000000   13.823631
   Si   O    H 
    32    64    10
Direct configuration=   433
   0.15296410  0.15298304 -0.02509702
   0.40472102  0.07880639  0.39453247
   0.13052947  0.38501104  0.12809159
   0.39790025  0.33523177  0.25779797
   0.12437802  0.16096197  0.49428554
   0.40797756  0.11159582  0.87239723
   0.09924351  0.40947084  0.62519716
   0.35757799  0.35828540  0.75292314
   0.14063661  0.64398492  0.00502161
   0.40836046  0.58636567  0.37966754
   0.08044617  0.88677002  0.13943488
   0.34536905  0.82938313  0.24771177
   0.14810537  0.65886096  0.49550145
   0.37963486  0.59503734  0.87578298
   0.05505656  0.92127037  0.61073916
   0.31136317  0.96401552  0.71911629
   0.64321264  0.13623642  1.01068144
   0.87499764  0.12064330  0.38720555
   0.62802600  0.39444448  0.12250756
   0.88364525  0.27942809  0.21002872
   0.64487538  0.18642314  0.53589386
   0.88763069  0.10341687  0.87345871
   0.57861476  0.46141218  0.62744590
   0.75022894  0.35117426  0.80244745
   0.63516858  0.63380882 -0.00727486
   0.90730009  0.59861806  0.37945767
   0.58684538  0.88983107  0.12641454
   0.82458653  0.85340551  0.26350544
   0.65559539  0.66140678  0.48601006
   0.89664882  0.58920598  0.88531410
   0.60589764  0.95465911  0.65579092
   0.83843828  0.84006142  0.76668013
   0.11994586  0.04899700  0.13106885
   0.38518561  0.17947609  0.30313224
   0.09774299  0.29045673  0.03525669
   0.34476613  0.44134070  0.35097794
   0.55020347  0.36175503  0.22026186
   0.29222053  0.37783660  0.16645309
   0.28090434  0.09608855  0.47338485
   0.03747728  0.15679826  0.39151349
   0.04886153  0.08246576  0.58068636
   0.41559397  0.21423996  0.77935359
   0.13599316  0.32725331  0.52511299
   0.35914956  0.43992737  0.85273281
   0.43132804  0.44340629  0.67139110
   0.19481422  0.35831196  0.71211329
   0.32769380  0.19933240 -0.04730415
   0.04017945  0.15970299  0.88493943
   0.10129177  0.54170466  0.09018534
   0.40741236  0.67152225  0.28005092
   0.09756614  0.80424137  0.03370502
   0.39184452  0.92580001  0.33609958
   0.42624174  0.87938147  0.14970118
   0.18135441  0.85584776  0.23213452
   0.31025156  0.67188845  0.47230973
   0.07977513  0.60407213  0.39371582
   0.11978522  0.56406172  0.58984304
   0.32287955  0.69145797  0.78873815
   0.10478738  0.81816250  0.52273456
   0.34955212  0.96488369  0.83118489
   0.44570528  0.92317666  0.65958675
   0.16361285  0.88868612  0.69693281
   0.29938656  0.64980068 -0.02358612
   0.05161670  0.61742914  0.90694754
   0.61897558  0.04229082  0.10941176
   0.80626020  0.21524139  0.30294992
   0.58058091  0.28479040  0.03683483
   0.85650681  0.45000536  0.33884804
   0.03208223  0.34915851  0.22374980
   0.79401154  0.38309212  0.15038185
   0.79377930  0.15354986  0.48779497
   0.54575333  0.10237559  0.45983770
   0.62223369  0.12593331  0.64286135
   0.83069492  0.19960283  0.78151155
   0.60818639  0.34535659  0.54073134
   0.87045570  0.42966697  0.86141600
   0.93431204  0.38248590  0.63172913
   0.69879375  0.44596966  0.71243242
   0.79559630  0.13109339  0.96524111
   0.56258684  0.08661125  0.91418162
   0.56813664  0.53424755  0.07569484
   0.86571697  0.70532703  0.29528234
   0.64549836  0.78816098  0.03515031
   0.85444277  0.95692484  0.35458094
   0.92014429  0.88109852  0.16918992
   0.66621017  0.86301978  0.23728687
   0.81538786  0.62507971  0.47849676
   0.56324005  0.56339694  0.41010625
   0.60402033  0.61377063  0.58904699
   0.86304486  0.68115945  0.78780942
   0.59176846  0.80915013  0.46020705
   0.89607215  0.93788971  0.85052515
   0.90506841  0.87133778  0.65901125
   0.67196906  0.88225931  0.74946055
   0.79540054  0.62329303  0.96987281
   0.54048311  0.62643874  0.89554030
   0.70897143  0.91130985  0.57504678
   0.63944210  0.89215669  0.47663498
   0.88700744  0.15962432  0.13910801
   0.75123565  0.45548126  0.33275891
   0.26719088  0.11018433  0.68277079
   0.23292683  0.68235718  0.77678024
   0.02725114  1.11499497  0.15103352
   0.15925313  1.01078333 -0.01023514
   0.62994228  0.32013873  0.85925592
   0.90318941  0.47590528  0.61372102
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.717250    0.225197   -0.074481
    -0.000000    9.834835   -0.165978
    -0.000000   -0.000000   13.826019
   Si   O    H 
    32    64    10
Direct configuration=   434
   0.15223633  0.15267212 -0.02641078
   0.40452216  0.07929128  0.39429472
   0.13059683  0.38453052  0.12814581
   0.39752595  0.33529335  0.25707569
   0.12416015  0.16054259  0.49384953
   0.40804803  0.11202345  0.87296534
   0.09946235  0.40985755  0.62596916
   0.35710217  0.35772879  0.75333089
   0.14031292  0.64288202  0.00492755
   0.40884275  0.58651204  0.38010138
   0.08208447  0.88630917  0.13928084
   0.34572572  0.82910841  0.24704123
   0.14820010  0.65834373  0.49498145
   0.37931880  0.59507254  0.87673477
   0.05413098  0.92119771  0.61037931
   0.31112189  0.96466008  0.71756771
   0.64211985  0.13526699  1.01058952
   0.87506677  0.12185543  0.38736469
   0.62703379  0.39542373  0.12283129
   0.88473768  0.28000527  0.20959687
   0.64497866  0.18532742  0.53558890
   0.88849187  0.10379152  0.87484969
   0.57888534  0.46138908  0.62664989
   0.75022807  0.35166924  0.80242409
   0.63667678  0.63369796 -0.00706468
   0.90637359  0.59893794  0.37834675
   0.58736633  0.88862034  0.12659741
   0.82494207  0.85464223  0.26344295
   0.65449847  0.66121463  0.48668196
   0.89583229  0.59124217  0.88584854
   0.60697369  0.95358878  0.65586880
   0.83742310  0.84043704  0.76630564
   0.12009641  0.04861041  0.13059826
   0.38555723  0.18216240  0.30212592
   0.09754661  0.28737946  0.03566788
   0.34613978  0.44115459  0.35233300
   0.55243352  0.36091060  0.22063018
   0.29208168  0.37661230  0.16776490
   0.27956388  0.09641432  0.47453807
   0.03710585  0.15587908  0.39206216
   0.04903864  0.08231444  0.58013432
   0.41520457  0.21441202  0.77920152
   0.13629623  0.32758095  0.52365963
   0.35974717  0.44187642  0.85356958
   0.43217486  0.44229905  0.67261179
   0.19553803  0.35793305  0.71205824
   0.32606771  0.19804717 -0.04597146
   0.03831507  0.16094848  0.88485779
   0.10108807  0.53985907  0.09170942
   0.40579479  0.67238760  0.27953231
   0.09893624  0.80470423  0.03577620
   0.39153780  0.92533283  0.33678353
   0.42534214  0.87840832  0.14946861
   0.18022021  0.85556860  0.23189225
   0.31035849  0.67276198  0.47263089
   0.08033268  0.60598453  0.39468564
   0.11996221  0.56552626  0.58991667
   0.32430897  0.69144114  0.78929089
   0.10628897  0.82006003  0.52324612
   0.35161522  0.96330093  0.83057978
   0.44686957  0.92304239  0.65815782
   0.16422147  0.88869603  0.69844783
   0.29901723  0.64892142 -0.02262952
   0.05271827  0.61729682  0.90557631
   0.62100634  0.04259721  0.10944086
   0.80438002  0.21487315  0.30296683
   0.58151085  0.28436800  0.03773141
   0.85708094  0.45084108  0.33970461
   0.03209850  0.34840841  0.22346070
   0.79425003  0.38303916  0.14928892
   0.79296699  0.15286699  0.48748479
   0.54588835  0.10331276  0.45951450
   0.62241166  0.12694465  0.64344780
   0.83042565  0.19971149  0.78265267
   0.60948196  0.34605442  0.54076170
   0.87179711  0.43062387  0.86208883
   0.93664331  0.38287375  0.63157350
   0.69974421  0.44432308  0.71308805
   0.79531619  0.13044618  0.96499292
   0.56235542  0.08675368  0.91543447
   0.56824292  0.53499246  0.07492247
   0.86485863  0.70511470  0.29525018
   0.64458927  0.78813291  0.03534441
   0.85296729  0.95684502  0.35563677
   0.92025002  0.88085251  0.16923907
   0.66681200  0.86321216  0.23732814
   0.81490435  0.62517306  0.47780021
   0.56319431  0.56539823  0.41069477
   0.60479211  0.61368905  0.58803707
   0.86328519  0.68023728  0.78728211
   0.59193952  0.80982449  0.45995012
   0.89804040  0.93897966  0.85078676
   0.90539502  0.87185383  0.65894507
   0.67069216  0.88189948  0.74939916
   0.79481094  0.62434433  0.97106861
   0.54014279  0.62777090  0.89636174
   0.70380839  0.92228203  0.57743169
   0.64219657  0.89265923  0.48147073
   0.88642273  0.16511826  0.14158858
   0.74772030  0.45300111  0.33097469
   0.26517267  0.10362016  0.67850854
   0.22635033  0.68884100  0.77907765
   0.03241405  1.10162148  0.14895786
   0.15913777  1.01037708 -0.01340674
   0.62765131  0.31748446  0.85589578
   0.89771121  0.48047271  0.61454204
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.719297    0.229541   -0.077268
    -0.000000    9.834064   -0.166656
    -0.000000   -0.000000   13.828151
   Si   O    H 
    32    64    10
Direct configuration=   435
   0.15141894  0.15321699 -0.02777964
   0.40417445  0.07939418  0.39431192
   0.13018754  0.38407711  0.12834445
   0.39632093  0.33537268  0.25628571
   0.12422279  0.16079248  0.49323719
   0.40830690  0.11203030  0.87394645
   0.09995182  0.40922813  0.62631041
   0.35613646  0.35666865  0.75386110
   0.13963737  0.64236779  0.00535671
   0.40885600  0.58635023  0.38025231
   0.08324666  0.88606191  0.13903071
   0.34641154  0.82922714  0.24653843
   0.14861738  0.65742342  0.49476247
   0.37898355  0.59564746  0.87769152
   0.05318001  0.92176909  0.60995347
   0.31098580  0.96478886  0.71633748
   0.64152146  0.13417928  1.01102564
   0.87469427  0.12367322  0.38758888
   0.62660512  0.39699442  0.12330465
   0.88593697  0.28026196  0.20959716
   0.64476631  0.18393514  0.53540351
   0.88966107  0.10501192  0.87557529
   0.57998199  0.46129668  0.62569836
   0.75027082  0.35141350  0.80237402
   0.63705389  0.63383183 -0.00688000
   0.90589562  0.59896596  0.37736691
   0.58804437  0.88702132  0.12707532
   0.82547126  0.85602632  0.26286441
   0.65333772  0.66141642  0.48775579
   0.89525317  0.59322633  0.88612294
   0.60781081  0.95286972  0.65641496
   0.83641073  0.84079264  0.76547053
   0.11933826  0.04798757  0.13002133
   0.38653821  0.18460334  0.30102615
   0.09724841  0.28483714  0.03624235
   0.34770788  0.44074462  0.35307919
   0.55406069  0.35961914  0.22079747
   0.29173182  0.37585516  0.16908862
   0.27934252  0.09679841  0.47514822
   0.03648876  0.15542764  0.39215288
   0.04891760  0.08210697  0.58047219
   0.41523172  0.21390503  0.77960298
   0.13698024  0.32722854  0.52228252
   0.36011628  0.44380131  0.85435540
   0.43309411  0.44171523  0.67369941
   0.19640541  0.35674862  0.71226352
   0.32333133  0.19671624 -0.04413981
   0.03704201  0.16154999  0.88509877
   0.10109149  0.53778948  0.09281913
   0.40333607  0.67409604  0.27862793
   0.10048910  0.80528284  0.03837748
   0.39143543  0.92516760  0.33784989
   0.42475266  0.87670174  0.14932329
   0.17853941  0.85520948  0.23217656
   0.31032286  0.67222519  0.47247777
   0.08042453  0.60740396  0.39583024
   0.12006107  0.56774818  0.59022776
   0.32552301  0.69070304  0.78923044
   0.10805132  0.82200216  0.52363741
   0.35409625  0.96241385  0.83061260
   0.44785598  0.92185332  0.65657401
   0.16450798  0.88812392  0.69964935
   0.29868383  0.64800237 -0.02183711
   0.05344524  0.61683149  0.90427135
   0.62360800  0.04289448  0.10873968
   0.80284695  0.21458730  0.30288659
   0.58191169  0.28429787  0.03892677
   0.85642029  0.45144809  0.34016633
   0.03268903  0.34745988  0.22261938
   0.79346421  0.38352442  0.14828647
   0.79263402  0.15233341  0.48697111
   0.54575556  0.10467123  0.45927387
   0.62287143  0.12705555  0.64399079
   0.83142905  0.19920834  0.78351919
   0.61047615  0.34665534  0.54090189
   0.87276726  0.43228304  0.86227545
   0.93851671  0.38484816  0.63146442
   0.70116742  0.44303053  0.71364118
   0.79479308  0.13043573  0.96516653
   0.56160052  0.08662901  0.91629623
   0.56979237  0.53555947  0.07425178
   0.86336463  0.70426126  0.29554233
   0.64411679  0.78918160  0.03579334
   0.85156413  0.95745800  0.35623259
   0.91958919  0.88070013  0.16933393
   0.66679183  0.86270972  0.23638519
   0.81566109  0.62483220  0.47746543
   0.56376748  0.56721946  0.41081231
   0.60504517  0.61386980  0.58719198
   0.86362957  0.67899219  0.78698779
   0.59218480  0.81067056  0.45985606
   0.89940441  0.93998892  0.85117268
   0.90611434  0.87218021  0.65946990
   0.67002686  0.88174868  0.74890383
   0.79449468  0.62527966  0.97241167
   0.53966074  0.62909284  0.89688314
   0.69800855  0.93217372  0.57916618
   0.64355848  0.89018967  0.48338370
   0.88805700  0.16529793  0.14152917
   0.75711378  0.45336348  0.32949461
   0.26244733  0.09070383  0.67470793
   0.21696346  0.69627832  0.78124396
   0.04705028  1.08949594  0.14373867
   0.16186275  1.01138624 -0.01633836
   0.62226481  0.31616554  0.85372031
   0.89386610  0.47382311  0.61942124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.721617    0.234648   -0.080222
    -0.000000    9.833884   -0.167199
    -0.000000   -0.000000   13.830305
   Si   O    H 
    32    64    10
Direct configuration=   436
   0.15125849  0.15432073 -0.02916021
   0.40376043  0.07888310  0.39410792
   0.13041151  0.38376324  0.12854659
   0.39574112  0.33550429  0.25597211
   0.12412403  0.16141846  0.49262766
   0.40892804  0.11203335  0.87451636
   0.10005875  0.40914250  0.62638374
   0.35526621  0.35594133  0.75398541
   0.13945763  0.64138275  0.00598948
   0.40873422  0.58665452  0.38038057
   0.08408688  0.88629998  0.13833865
   0.34751650  0.82933965  0.24632093
   0.14922344  0.65711142  0.49504793
   0.37882281  0.59688267  0.87857587
   0.05190238  0.92181289  0.60977107
   0.31138186  0.96509387  0.71535762
   0.64056683  0.13374956  1.01130464
   0.87354714  0.12509957  0.38758070
   0.62658599  0.39830386  0.12342214
   0.88695849  0.28047824  0.20949969
   0.64488069  0.18331817  0.53509409
   0.89080707  0.10654634  0.87597008
   0.58139518  0.46027710  0.62521513
   0.75067193  0.35074435  0.80273187
   0.63767809  0.63417867 -0.00685710
   0.90628150  0.59919623  0.37602028
   0.58856760  0.88572456  0.12739874
   0.82588403  0.85703026  0.26268162
   0.65206261  0.66156682  0.48840305
   0.89430453  0.59474465  0.88586325
   0.60828851  0.95255214  0.65713005
   0.83517073  0.84073880  0.76473783
   0.12043767  0.04717718  0.12887727
   0.38781376  0.18703215  0.29989412
   0.09680566  0.28231281  0.03737303
   0.34903000  0.43971978  0.35374062
   0.55527517  0.35779908  0.22119750
   0.29058505  0.37558033  0.16982336
   0.27920659  0.09708557  0.47481451
   0.03637395  0.15515370  0.39201718
   0.04883470  0.08202993  0.58059442
   0.41583798  0.21229492  0.77980559
   0.13693181  0.32610131  0.52075772
   0.36016077  0.44475112  0.85547557
   0.43385805  0.44106959  0.67403807
   0.19771519  0.35581042  0.71183780
   0.32114753  0.19513499 -0.04266060
   0.03619617  0.16202684  0.88528842
   0.10119385  0.53617676  0.09347100
   0.40128809  0.67561293  0.27797790
   0.10254365  0.80580990  0.04061660
   0.39153854  0.92549876  0.33900228
   0.42512959  0.87518450  0.14881668
   0.17696132  0.85430582  0.23234562
   0.31117793  0.67128865  0.47201894
   0.07864403  0.60887925  0.39681374
   0.12050655  0.57027036  0.59029712
   0.32529275  0.69030351  0.78914488
   0.10860514  0.82392030  0.52363811
   0.35676603  0.96206482  0.83131557
   0.44853067  0.91974053  0.65481436
   0.16401146  0.88681594  0.70076327
   0.29893481  0.64676183 -0.02148219
   0.05511696  0.61637679  0.90344421
   0.62593882  0.04348348  0.10780261
   0.80149744  0.21505093  0.30287188
   0.58247885  0.28457469  0.03997796
   0.85588495  0.45186471  0.34048367
   0.03256549  0.34624037  0.22206911
   0.79200176  0.38393623  0.14665058
   0.79318911  0.15232868  0.48666758
   0.54509499  0.10587486  0.45921035
   0.62316552  0.12630662  0.64452587
   0.83213536  0.19880695  0.78500590
   0.61050974  0.34776941  0.54115597
   0.87316801  0.43452184  0.86279975
   0.94001551  0.38677435  0.63133083
   0.70163849  0.44163071  0.71451164
   0.79404915  0.13057461  0.96584688
   0.56084019  0.08692511  0.91640440
   0.57135216  0.53607528  0.07357280
   0.86233325  0.70223302  0.29606195
   0.64316925  0.79041246  0.03674452
   0.85028765  0.95834423  0.35707054
   0.91908747  0.88084474  0.16926019
   0.66642564  0.86244885  0.23494541
   0.81634850  0.62447722  0.47641119
   0.56482133  0.56931663  0.41090372
   0.60556691  0.61370651  0.58669482
   0.86406813  0.67742849  0.78688748
   0.59252033  0.81141785  0.45958278
   0.90118314  0.94103068  0.85175604
   0.90741089  0.87293402  0.65944961
   0.66963380  0.88151288  0.74890395
   0.79441100  0.62639444  0.97400334
   0.53969343  0.62891555  0.89788792
   0.69550273  0.93695157  0.57733716
   0.64293300  0.88508742  0.48361705
   0.89542847  0.15927288  0.13902171
   0.76421153  0.45459884  0.33207129
   0.25895085  0.08303068  0.67278644
   0.22278010  0.70187282  0.78573269
   0.02979034  1.10378629  0.14773555
   0.16836460  1.00843435 -0.02184661
   0.61766953  0.31608199  0.85184199
   0.88817400  0.46825560  0.62542354
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.724186    0.240376   -0.082553
    -0.000000    9.833575   -0.167517
    -0.000000   -0.000000   13.832298
   Si   O    H 
    32    64    10
Direct configuration=   437
   0.15155383  0.15503617 -0.03031083
   0.40340706  0.07880566  0.39395026
   0.13082397  0.38330825  0.12888252
   0.39525659  0.33539329  0.25586032
   0.12453810  0.16179785  0.49218864
   0.40987838  0.11206923  0.87471339
   0.10033842  0.40888599  0.62586451
   0.35416021  0.35534311  0.75379660
   0.13908054  0.64064645  0.00656199
   0.40823082  0.58772992  0.38058453
   0.08398107  0.88701837  0.13765877
   0.34861252  0.82902995  0.24623917
   0.15049266  0.65721363  0.49541007
   0.37852436  0.59886193  0.87968767
   0.05059402  0.92161090  0.60974107
   0.31187279  0.96537373  0.71485082
   0.63981543  0.13372571  1.01172865
   0.87173927  0.12552505  0.38743576
   0.62667547  0.39971182  0.12348029
   0.88746435  0.28074467  0.20960695
   0.64497106  0.18267783  0.53532357
   0.89099316  0.10744927  0.87639505
   0.58327151  0.45939979  0.62495529
   0.75086586  0.34951071  0.80308969
   0.63784536  0.63479089 -0.00656317
   0.90682877  0.59928507  0.37545251
   0.58886778  0.88450223  0.12781290
   0.82594034  0.85756486  0.26232661
   0.65100983  0.66151047  0.48912784
   0.89340412  0.59524689  0.88563073
   0.60851605  0.95261542  0.65792560
   0.83399441  0.84055943  0.76401917
   0.12005965  0.04728720  0.12822123
   0.38896922  0.18863363  0.29879014
   0.09646322  0.28096547  0.03841585
   0.35014813  0.43868649  0.35390839
   0.55528012  0.35687454  0.22217713
   0.28952972  0.37385600  0.17058970
   0.27924638  0.09726713  0.47422976
   0.03676041  0.15527626  0.39198065
   0.04878716  0.08174485  0.58041628
   0.41571351  0.21047089  0.77983131
   0.13769533  0.32464655  0.51956853
   0.35986272  0.44391138  0.85672410
   0.43508152  0.44091568  0.67421441
   0.19892317  0.35483687  0.71167316
   0.31882819  0.19389146 -0.04170572
   0.03626787  0.16243448  0.88606065
   0.10091009  0.53551730  0.09424226
   0.39911865  0.67629185  0.27691696
   0.10463418  0.80473378  0.04241132
   0.39146491  0.92695365  0.34005822
   0.42437363  0.87320112  0.14786161
   0.17659631  0.85260029  0.23240027
   0.31347821  0.66912339  0.47167957
   0.07683006  0.61038761  0.39779521
   0.12105921  0.57261411  0.59057570
   0.32500491  0.69071880  0.78932604
   0.10900636  0.82541900  0.52352091
   0.35839186  0.96260746  0.83167439
   0.44925738  0.91780412  0.65301445
   0.16329375  0.88564836  0.70216584
   0.29981138  0.64478618 -0.02149988
   0.05638207  0.61670385  0.90239172
   0.62823938  0.04314487  0.10675336
   0.80082042  0.21533292  0.30200433
   0.58376668  0.28471586  0.04162707
   0.85626984  0.45175172  0.34120417
   0.03262763  0.34553612  0.22173434
   0.79092658  0.38402376  0.14441694
   0.79414501  0.15274962  0.48680388
   0.54409007  0.10687072  0.45917291
   0.62320261  0.12618695  0.64522365
   0.83208522  0.19862196  0.78594360
   0.61091751  0.34883142  0.54128104
   0.87403839  0.43603229  0.86339638
   0.94126353  0.38837951  0.63128867
   0.70184463  0.44071651  0.71507646
   0.79349867  0.13044488  0.96720429
   0.56103321  0.08670966  0.91641432
   0.57193224  0.53684616  0.07318816
   0.86161203  0.70120137  0.29621872
   0.64205477  0.79202598  0.03788572
   0.84872194  0.95954685  0.35816365
   0.91866063  0.88073707  0.16856235
   0.66586834  0.86217609  0.23318806
   0.81584639  0.62412142  0.47573822
   0.56604053  0.57082870  0.41075754
   0.60511198  0.61332927  0.58704415
   0.86459163  0.67654446  0.78656363
   0.59216261  0.81146535  0.45949348
   0.90270636  0.94207492  0.85179482
   0.90848970  0.87370235  0.65894712
   0.67012191  0.88128423  0.74927202
   0.79507886  0.62751498  0.97547208
   0.53977287  0.62931518  0.89816787
   0.70002910  0.93686468  0.57433548
   0.64669607  0.88632088  0.48614723
   0.90628867  0.15297907  0.13769968
   0.75182695  0.45242058  0.33183591
   0.25655694  0.08326203  0.67111500
   0.23197525  0.70655722  0.78888754
   0.01876476  1.11404296  0.15123419
   0.17244832  1.00476510 -0.02910102
   0.62004718  0.31682877  0.84963965
   0.87976735  0.46840490  0.63012750
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.726239    0.245883   -0.084606
    -0.000000    9.833399   -0.167298
    -0.000000   -0.000000   13.834339
   Si   O    H 
    32    64    10
Direct configuration=   438
   0.15253215  0.15543782 -0.03094380
   0.40249631  0.07862629  0.39364655
   0.13162100  0.38290365  0.12939749
   0.39570572  0.33592241  0.25551469
   0.12525602  0.16308833  0.49196614
   0.41086278  0.11115991  0.87484518
   0.10049495  0.40841423  0.62536102
   0.35286296  0.35536568  0.75403218
   0.13947096  0.63973576  0.00748904
   0.40700893  0.58890161  0.38052739
   0.08378305  0.88796537  0.13771293
   0.34966402  0.82901481  0.24631208
   0.15156708  0.65762404  0.49529535
   0.37858357  0.60124670  0.88093893
   0.04965098  0.92154061  0.60993965
   0.31194946  0.96554220  0.71451350
   0.63914990  0.13324248  1.01193025
   0.86948284  0.12549574  0.38697092
   0.62655040  0.40042022  0.12319096
   0.88748784  0.28067971  0.20942461
   0.64484505  0.18295991  0.53534057
   0.89122708  0.10785448  0.87704771
   0.58551731  0.45798332  0.62475634
   0.75139905  0.34770462  0.80359988
   0.63753342  0.63610646 -0.00641212
   0.90724704  0.59941638  0.37505538
   0.58924361  0.88366138  0.12857801
   0.82614958  0.85822853  0.26216972
   0.64990197  0.66126079  0.48970484
   0.89227746  0.59551496  0.88534699
   0.60759420  0.95321721  0.65824716
   0.83241063  0.84032998  0.76389323
   0.11885110  0.04783902  0.12774517
   0.39011235  0.18999166  0.29871066
   0.09621615  0.28026294  0.03979826
   0.35106597  0.43708211  0.35416653
   0.55471754  0.35610158  0.22354335
   0.28909524  0.37276657  0.17120411
   0.27938987  0.09782246  0.47314743
   0.03681754  0.15591488  0.39205406
   0.04861375  0.08207981  0.57953028
   0.41534592  0.20921627  0.78006800
   0.13855970  0.32324468  0.51846408
   0.35910074  0.44220504  0.85815094
   0.43648435  0.44114344  0.67421327
   0.19987346  0.35473839  0.71163553
   0.31652485  0.19276059 -0.04120736
   0.03794865  0.16287398  0.88683281
   0.10023683  0.53540174  0.09489956
   0.39718192  0.67679342  0.27612119
   0.10707892  0.80284070  0.04391544
   0.39122565  0.92859468  0.34093330
   0.42404177  0.87152314  0.14676409
   0.17547002  0.85098582  0.23271366
   0.31549181  0.66672495  0.47120445
   0.07408530  0.61193954  0.39882729
   0.12164620  0.57400436  0.59118540
   0.32596561  0.69144720  0.78949065
   0.10921684  0.82630589  0.52283877
   0.35995785  0.96311086  0.83194372
   0.44945859  0.91565565  0.65117426
   0.16280426  0.88438137  0.70273888
   0.29989762  0.64295906 -0.02163411
   0.05727620  0.61764758  0.90198958
   0.63016841  0.04296686  0.10615066
   0.80066985  0.21545154  0.30103702
   0.58479947  0.28600178  0.04330478
   0.85564061  0.45092666  0.34157517
   0.03350236  0.34453696  0.22155022
   0.78997882  0.38308266  0.14284609
   0.79498168  0.15313871  0.48785207
   0.54390692  0.10795812  0.45835306
   0.62335527  0.12557507  0.64569749
   0.83180043  0.19881173  0.78701351
   0.61097367  0.35000437  0.54084332
   0.87524001  0.43757750  0.86401036
   0.94160554  0.39046715  0.63164321
   0.70196216  0.44064143  0.71480217
   0.79314102  0.13063519  0.96865780
   0.56071086  0.08618980  0.91585933
   0.57328396  0.53855018  0.07274402
   0.86042527  0.70026292  0.29560259
   0.64089323  0.79398542  0.03878854
   0.84717199  0.96023276  0.35870733
   0.91796997  0.88084968  0.16828411
   0.66641808  0.86184054  0.23179679
   0.81514524  0.62463263  0.47526456
   0.56683011  0.57191655  0.41108134
   0.60416210  0.61199835  0.58824057
   0.86510045  0.67694706  0.78555985
   0.59222740  0.81131028  0.45978720
   0.90396268  0.94291325  0.85158459
   0.90935738  0.87504573  0.65909106
   0.67124072  0.88077975  0.74939352
   0.79666444  0.62779756  0.97665379
   0.54014666  0.63006523  0.89832986
   0.70193101  0.93418660  0.57372517
   0.65067409  0.88358689  0.48697609
   0.91888381  0.14626476  0.14085494
   0.74833101  0.44773738  0.33449287
   0.25300243  0.09070849  0.67079919
   0.22545449  0.71640793  0.78880387
   0.01727272  1.11707549  0.15061292
   0.17599964  1.00698950 -0.03660404
   0.62565124  0.31758858  0.84837769
   0.87049783  0.46740482  0.63395544
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.728740    0.250957   -0.086374
    -0.000000    9.833256   -0.167141
    -0.000000   -0.000000   13.836247
   Si   O    H 
    32    64    10
Direct configuration=   439
   0.15372172  0.15531051 -0.03133232
   0.40175414  0.07851793  0.39319249
   0.13311468  0.38235856  0.12959552
   0.39561414  0.33640579  0.25533232
   0.12584021  0.16401493  0.49145666
   0.41139213  0.11033699  0.87490941
   0.10154185  0.40847461  0.62470090
   0.35204890  0.35532174  0.75424027
   0.13933221  0.63892398  0.00787006
   0.40600885  0.58973115  0.38062706
   0.08351760  0.88864662  0.13835671
   0.35033489  0.82861870  0.24662650
   0.15266493  0.65822454  0.49502645
   0.37810181  0.60424199  0.88195092
   0.04893113  0.92155818  0.61039407
   0.31198425  0.96551230  0.71405977
   0.63788678  0.13295080  1.01249438
   0.86747074  0.12506444  0.38627691
   0.62570355  0.40103988  0.12287784
   0.88721403  0.28048435  0.20910093
   0.64480818  0.18278292  0.53527720
   0.89120978  0.10811721  0.87740170
   0.58784987  0.45705437  0.62468906
   0.75208949  0.34572596  0.80417285
   0.63689846  0.63821259 -0.00612417
   0.90767782  0.59943377  0.37488866
   0.58876728  0.88354625  0.12956811
   0.82664328  0.85848789  0.26268389
   0.64921951  0.66084807  0.48999177
   0.89092683  0.59486561  0.88497669
   0.60725870  0.95450606  0.65825153
   0.83077404  0.84101195  0.76365480
   0.11743355  0.04889928  0.12786080
   0.39129618  0.19120051  0.29923106
   0.09629330  0.27972633  0.04068450
   0.35149671  0.43598868  0.35391869
   0.55454517  0.35606381  0.22444464
   0.28783605  0.37204639  0.17143107
   0.28009747  0.09787070  0.47220340
   0.03681097  0.15678161  0.39228509
   0.04841341  0.08298921  0.57891367
   0.41498547  0.20762429  0.78014625
   0.13924812  0.32091482  0.51826269
   0.35841077  0.44025837  0.85929225
   0.43808945  0.44101013  0.67409511
   0.20035072  0.35440188  0.71184735
   0.31323567  0.19154809 -0.04101632
   0.04018325  0.16393529  0.88764067
   0.09983399  0.53588847  0.09549164
   0.39516877  0.67713049  0.27541099
   0.10871637  0.79953598  0.04431925
   0.39076755  0.93066469  0.34168879
   0.42310891  0.87012327  0.14567110
   0.17474741  0.84939992  0.23335017
   0.31848544  0.66422577  0.47056104
   0.07179021  0.61316072  0.39996608
   0.12255389  0.57547067  0.59180894
   0.32638497  0.69149723  0.78934815
   0.10910291  0.82692691  0.52207634
   0.36262431  0.96340527  0.83169170
   0.44973633  0.91339919  0.64886865
   0.16227224  0.88300180  0.70265778
   0.30002075  0.64126099 -0.02165748
   0.05878790  0.61893001  0.90229642
   0.63223881  0.04290512  0.10562916
   0.80133536  0.21566792  0.29996270
   0.58612911  0.28608735  0.04470777
   0.85484724  0.44950667  0.34188058
   0.03439179  0.34396830  0.22058002
   0.78908257  0.38265145  0.14136246
   0.79608431  0.15318724  0.48906236
   0.54362089  0.10869210  0.45744907
   0.62392074  0.12514303  0.64564807
   0.83213722  0.19799652  0.78830629
   0.61222618  0.35066967  0.54006307
   0.87483168  0.43841417  0.86424442
   0.94154819  0.39265267  0.63235595
   0.70187189  0.44021657  0.71406566
   0.79282448  0.13116317  0.97046432
   0.56090156  0.08595047  0.91583040
   0.57464111  0.54017865  0.07280652
   0.85934086  0.69920390  0.29450436
   0.63929365  0.79551430  0.03945018
   0.84587713  0.96111484  0.35958664
   0.91743673  0.88119938  0.16802581
   0.66657556  0.86180666  0.23066889
   0.81465153  0.62584532  0.47473964
   0.56742538  0.57355632  0.41094837
   0.60294231  0.61031833  0.58997613
   0.86534095  0.67769399  0.78408353
   0.59304744  0.81153354  0.46020620
   0.90572662  0.94284261  0.85102191
   0.91100121  0.87651474  0.65907040
   0.67281251  0.87969912  0.74974759
   0.79859495  0.62861063  0.97790018
   0.54097278  0.63059690  0.89808659
   0.70010471  0.92911460  0.57360134
   0.65053267  0.87911309  0.48560651
   0.92302962  0.14379710  0.14394593
   0.75676548  0.44378377  0.33736956
   0.25232908  0.09973255  0.67240287
   0.22417137  0.72120124  0.78754524
   0.02818266  1.11172171  0.14931521
   0.17789154  1.01026126 -0.04279717
   0.62946622  0.31523502  0.85176988
   0.86963926  0.46464505  0.63991200
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.731003    0.255925   -0.088540
    -0.000000    9.833217   -0.167384
    -0.000000   -0.000000   13.838251
   Si   O    H 
    32    64    10
Direct configuration=   440
   0.15436292  0.15525477 -0.03178616
   0.40111861  0.07830910  0.39290936
   0.13450573  0.38120809  0.12973566
   0.39589018  0.33737542  0.25531662
   0.12677111  0.16467824  0.49116839
   0.41161028  0.10972225  0.87487242
   0.10261908  0.40793692  0.62367877
   0.35128578  0.35587924  0.75482733
   0.13964664  0.63834490  0.00837263
   0.40509489  0.59043585  0.38084848
   0.08342455  0.88969058  0.13888617
   0.35099881  0.82891194  0.24646570
   0.15285320  0.65933854  0.49449195
   0.37784754  0.60670516  0.88253572
   0.04809452  0.92155026  0.61081930
   0.31218681  0.96637366  0.71386867
   0.63688833  0.13312953  1.01292559
   0.86625224  0.12356011  0.38558976
   0.62506724  0.40096620  0.12260563
   0.88634095  0.27971002  0.20871450
   0.64523066  0.18247477  0.53548626
   0.89111402  0.10841106  0.87749044
   0.59016727  0.45593287  0.62546781
   0.75265003  0.34509481  0.80476717
   0.63646240  0.64016521 -0.00588289
   0.90862881  0.59873684  0.37467364
   0.58816920  0.88342038  0.13104575
   0.82822085  0.85849856  0.26313731
   0.64872430  0.66068162  0.49008278
   0.89007024  0.59420132  0.88441621
   0.60802881  0.95631434  0.65829398
   0.82996327  0.84248803  0.76369856
   0.11647656  0.04907998  0.12797756
   0.39239873  0.19144117  0.29986378
   0.09587719  0.27933861  0.04138227
   0.35229984  0.43498584  0.35352334
   0.55356854  0.35568210  0.22570250
   0.28756140  0.37019457  0.17144555
   0.28089587  0.09823861  0.47142552
   0.03642457  0.15716977  0.39203821
   0.04793473  0.08296526  0.57855151
   0.41459457  0.20630911  0.78007597
   0.13913224  0.31961457  0.51777210
   0.35919226  0.43853062  0.85990362
   0.43946584  0.44042387  0.67383515
   0.19962162  0.35411975  0.71175043
   0.31059409  0.18966142 -0.04128194
   0.04161510  0.16545048  0.88779571
   0.09988750  0.53712708  0.09514198
   0.39305315  0.67655069  0.27511638
   0.11003658  0.79633829  0.04491544
   0.39132507  0.93221760  0.34316913
   0.42236541  0.86903031  0.14465191
   0.17499115  0.84854153  0.23335950
   0.32057186  0.66136703  0.47004518
   0.06894534  0.61357259  0.40106574
   0.12318243  0.57582140  0.59250072
   0.32645753  0.69224713  0.78928656
   0.10956430  0.82701655  0.52136675
   0.36476289  0.96352439  0.83103886
   0.45008623  0.91141451  0.64692423
   0.16153816  0.88200657  0.70210111
   0.29939172  0.63973930 -0.02121062
   0.06018672  0.62110977  0.90332688
   0.63374128  0.04303112  0.10556776
   0.80239544  0.21698635  0.29899050
   0.58822688  0.28565368  0.04548949
   0.85491551  0.44823448  0.34197994
   0.03464336  0.34319383  0.21933623
   0.78910750  0.38225054  0.14022697
   0.79708791  0.15278891  0.49022987
   0.54307616  0.10989192  0.45693600
   0.62437015  0.12529043  0.64601429
   0.83314554  0.19638273  0.78937984
   0.61368283  0.35122669  0.53888439
   0.87347162  0.43858061  0.86426236
   0.94154592  0.39378197  0.63357369
   0.70163598  0.43978713  0.71330199
   0.79290648  0.13226161  0.97193308
   0.56055332  0.08553127  0.91561314
   0.57611223  0.54156046  0.07299916
   0.85834409  0.69806104  0.29318295
   0.63697610  0.79658002  0.03964440
   0.84505458  0.96219238  0.36070878
   0.91666953  0.88188209  0.16770472
   0.66661504  0.86165205  0.22993686
   0.81369655  0.62748829  0.47421973
   0.56750867  0.57468746  0.41020257
   0.60128806  0.60917179  0.59162235
   0.86592056  0.67826566  0.78257673
   0.59422786  0.81181094  0.46114828
   0.90709679  0.94285362  0.85056980
   0.91134606  0.87828470  0.65936990
   0.67441631  0.87821828  0.75013565
   0.80132171  0.62858496  0.97898983
   0.54166885  0.63170080  0.89738672
   0.69551457  0.92032284  0.57596684
   0.65101995  0.87991845  0.48303329
   0.92173988  0.14575012  0.14871300
   0.75908764  0.43987395  0.34206982
   0.25723345  0.10306117  0.67657179
   0.23046501  0.71951146  0.78681837
   0.04766115  1.09931411  0.14745352
   0.17754027  1.01022961 -0.04326662
   0.63140996  0.31301222  0.85722478
   0.87270402  0.45880695  0.64409632
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.733150    0.260709   -0.090128
    -0.000000    9.833078   -0.167801
    -0.000000   -0.000000   13.840057
   Si   O    H 
    32    64    10
Direct configuration=   441
   0.15504453  0.15526982 -0.03198140
   0.40067531  0.07830369  0.39252125
   0.13543524  0.38085995  0.13017322
   0.39602824  0.33855671  0.25529353
   0.12742398  0.16553848  0.49082468
   0.41156477  0.10921497  0.87481192
   0.10328801  0.40728286  0.62216292
   0.35162177  0.35706913  0.75526644
   0.13963666  0.63828375  0.00863314
   0.40341757  0.59126928  0.38118890
   0.08317928  0.89064102  0.13925066
   0.35099726  0.82942711  0.24693245
   0.15267672  0.66092294  0.49436756
   0.37737951  0.60829008  0.88316576
   0.04770921  0.92193765  0.61106282
   0.31231232  0.96723820  0.71353697
   0.63561297  0.13345569  1.01267030
   0.86516839  0.12266896  0.38509043
   0.62368298  0.40053999  0.12240296
   0.88512053  0.27889816  0.20835386
   0.64537115  0.18232734  0.53563475
   0.89032654  0.10813136  0.87774966
   0.59162833  0.45487411  0.62626475
   0.75289185  0.34502697  0.80535540
   0.63577169  0.64268502 -0.00508308
   0.90934760  0.59717538  0.37446198
   0.58741690  0.88398854  0.13241300
   0.82923110  0.85827638  0.26381648
   0.64880692  0.66061402  0.49015235
   0.88976926  0.59340029  0.88383208
   0.60868913  0.95799143  0.65829290
   0.83077130  0.84358823  0.76348988
   0.11606891  0.04820871  0.12732541
   0.39321761  0.19112984  0.30046213
   0.09597582  0.27887042  0.04223742
   0.35283043  0.43372939  0.35340529
   0.55286635  0.35580782  0.22720291
   0.28706992  0.36823033  0.17079571
   0.28044980  0.09861197  0.47092554
   0.03550338  0.15736440  0.39215209
   0.04748314  0.08241453  0.57828515
   0.41386417  0.20519925  0.78053458
   0.13962087  0.31893028  0.51775347
   0.36137024  0.43703822  0.86045100
   0.44037279  0.43990721  0.67375034
   0.19849653  0.35424230  0.71146432
   0.30874035  0.18780322 -0.04175575
   0.04249238  0.16701778  0.88718772
   0.10003224  0.53790261  0.09420913
   0.39146156  0.67510467  0.27503795
   0.11056783  0.79333987  0.04584540
   0.39170025  0.93294539  0.34417612
   0.42114421  0.86844293  0.14387927
   0.17475165  0.84633580  0.23346043
   0.32234805  0.65815979  0.46913722
   0.06618713  0.61415174  0.40198610
   0.12385781  0.57533865  0.59303316
   0.32664114  0.69278747  0.78940835
   0.10998247  0.82682712  0.52072830
   0.36623962  0.96362843  0.83007342
   0.45040871  0.90970659  0.64475134
   0.16071244  0.88099248  0.70150647
   0.29869103  0.63885464 -0.02011666
   0.06202548  0.62310866  0.90410987
   0.63415396  0.04346082  0.10531494
   0.80282446  0.21743353  0.29826368
   0.59022167  0.28505453  0.04540925
   0.85423144  0.44672682  0.34282836
   0.03504234  0.34337688  0.21841784
   0.78890580  0.38078930  0.13941317
   0.79859070  0.15228019  0.49151183
   0.54343166  0.11100095  0.45639650
   0.62473975  0.12599284  0.64553613
   0.83374906  0.19510407  0.79002151
   0.61493225  0.35117446  0.53761171
   0.87191869  0.43816792  0.86445005
   0.94264930  0.39411792  0.63475711
   0.70189607  0.43962073  0.71285728
   0.79271698  0.13341778  0.97348618
   0.56020541  0.08526423  0.91558408
   0.57774895  0.54277230  0.07388546
   0.85788319  0.69677615  0.29109751
   0.63482782  0.79759504  0.03978344
   0.84406833  0.96348141  0.36198033
   0.91652189  0.88263960  0.16752372
   0.66603591  0.86125720  0.22894212
   0.81258900  0.63035523  0.47406015
   0.56746824  0.57552194  0.40925112
   0.60017221  0.60794254  0.59357773
   0.86673552  0.67829156  0.78095696
   0.59541492  0.81079382  0.46162475
   0.90751204  0.94268813  0.85001797
   0.91101342  0.88030114  0.65995014
   0.67534387  0.87712079  0.75081509
   0.80365295  0.62810694  0.98022305
   0.54343027  0.63281328  0.89687761
   0.68923864  0.90686994  0.58092710
   0.65603858  0.88933847  0.48167063
   0.91177805  0.15278859  0.15627685
   0.75609097  0.43564991  0.34832184
   0.26263004  0.10179062  0.68433772
   0.23549966  0.71492521  0.78446672
   0.04778034  1.10653105  0.15129639
   0.17560747  1.00484783 -0.04020276
   0.63026284  0.31410507  0.86168844
   0.87072177  0.46095124  0.64733361
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.735198    0.265511   -0.091632
    -0.000000    9.832931   -0.168352
    -0.000000   -0.000000   13.841478
   Si   O    H 
    32    64    10
Direct configuration=   442
   0.15506063  0.15488562 -0.03167835
   0.40050649  0.07851570  0.39217108
   0.13555854  0.38073279  0.13045672
   0.39558854  0.33957226  0.25564899
   0.12845216  0.16594898  0.49038555
   0.41085457  0.10987959  0.87446944
   0.10341265  0.40666328  0.62046733
   0.35203008  0.35823474  0.75547995
   0.13982021  0.63793535  0.00877645
   0.40223048  0.59126358  0.38136668
   0.08354181  0.89099127  0.13943697
   0.35099134  0.82974326  0.24775121
   0.15282229  0.66270896  0.49455272
   0.37713600  0.60939541  0.88321589
   0.04823555  0.92265191  0.61117580
   0.31201458  0.96825957  0.71338529
   0.63455267  0.13388418  1.01248043
   0.86420471  0.12226059  0.38450859
   0.62191726  0.39986574  0.12235379
   0.88345940  0.27884098  0.20806148
   0.64586720  0.18233038  0.53561340
   0.88957647  0.10804790  0.87808171
   0.59287958  0.45346896  0.62701379
   0.75322608  0.34506824  0.80649642
   0.63523207  0.64516401 -0.00453337
   0.90918953  0.59598755  0.37462380
   0.58708092  0.88464173  0.13355946
   0.83041899  0.85778667  0.26459717
   0.64927758  0.66076102  0.49005849
   0.88992875  0.59263876  0.88290583
   0.60912395  0.95910325  0.65802561
   0.83235511  0.84466239  0.76324748
   0.11604341  0.04676712  0.12646336
   0.39429625  0.19004075  0.30116490
   0.09565973  0.27820453  0.04314046
   0.35391049  0.43309187  0.35355724
   0.55254941  0.35612066  0.22799543
   0.28683309  0.36591889  0.17068691
   0.28005175  0.09912819  0.47037038
   0.03452117  0.15728558  0.39232738
   0.04683046  0.08127426  0.57774709
   0.41342035  0.20445024  0.78087298
   0.13993793  0.31907480  0.51815102
   0.36353249  0.43612961  0.86107045
   0.44100603  0.43971174  0.67373420
   0.19753258  0.35447195  0.71105588
   0.30850767  0.18581222 -0.04229883
   0.04297843  0.16795239  0.88630935
   0.10027807  0.53847029  0.09291791
   0.38976710  0.67398705  0.27580635
   0.11083454  0.79053281  0.04637864
   0.39201598  0.93377418  0.34500533
   0.41958615  0.86821265  0.14328595
   0.17473084  0.84440637  0.23327440
   0.32375268  0.65574675  0.46855765
   0.06452839  0.61490368  0.40308944
   0.12445013  0.57464705  0.59339339
   0.32744202  0.69258228  0.78966698
   0.10936756  0.82663637  0.51999069
   0.36727750  0.96413093  0.82872216
   0.44930888  0.90808284  0.64308327
   0.16049476  0.88076967  0.70104949
   0.29756298  0.63817356 -0.01890291
   0.06250630  0.62593807  0.90473397
   0.63489533  0.04328430  0.10550335
   0.80366162  0.21799291  0.29782038
   0.59208590  0.28442603  0.04508215
   0.85394400  0.44501740  0.34399869
   0.03545100  0.34453848  0.21836690
   0.78845682  0.37884579  0.13866994
   0.79982136  0.15062189  0.49245052
   0.54313562  0.11158929  0.45567586
   0.62413638  0.12647103  0.64550278
   0.83392893  0.19446082  0.78976442
   0.61575224  0.35028987  0.53583123
   0.86994900  0.43706243  0.86417257
   0.94359891  0.39398585  0.63586771
   0.70327534  0.43936997  0.71254383
   0.79328444  0.13433212  0.97481056
   0.56035261  0.08454908  0.91534650
   0.57920557  0.54407306  0.07513392
   0.85760942  0.69548013  0.28915893
   0.63289469  0.79926744  0.03979783
   0.84320467  0.96506219  0.36347092
   0.91617287  0.88331846  0.16742494
   0.66571284  0.86077487  0.22858501
   0.81133519  0.63327621  0.47368639
   0.56692836  0.57550538  0.40810483
   0.59945141  0.60740774  0.59547961
   0.86804045  0.67836467  0.77979515
   0.59778105  0.81059393  0.46242745
   0.90783427  0.94295754  0.84951843
   0.90993897  0.88171036  0.66038551
   0.67538115  0.87659422  0.75188993
   0.80520392  0.62712291  0.98142746
   0.54469646  0.63415578  0.89680487
   0.68449868  0.89702085  0.58364701
   0.65278317  0.89423719  0.48137475
   0.89818513  0.15465665  0.16133295
   0.75274489  0.43184194  0.35475445
   0.26834889  0.09901251  0.69012736
   0.22563328  0.71583479  0.78176356
   0.03735375  1.12395847  0.16044391
   0.16812100  1.00172015 -0.03241230
   0.63246713  0.31676188  0.86627033
   0.86773994  0.46671047  0.65119156
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.736888    0.269821   -0.093059
    -0.000000    9.832753   -0.169305
    -0.000000   -0.000000   13.842947
   Si   O    H 
    32    64    10
Direct configuration=   443
   0.15407359  0.15432953 -0.03147649
   0.39991809  0.07953277  0.39166141
   0.13518598  0.38068752  0.13088391
   0.39543609  0.34031055  0.25606448
   0.12941299  0.16562411  0.49024632
   0.41019854  0.11051811  0.87419184
   0.10377694  0.40636362  0.61849250
   0.35267303  0.35944160  0.75564721
   0.14016569  0.63796490  0.00938757
   0.40100546  0.59121561  0.38109726
   0.08389694  0.89049721  0.13931615
   0.35043614  0.83085910  0.24826295
   0.15321939  0.66423722  0.49510250
   0.37709503  0.60940127  0.88334784
   0.04885223  0.92317938  0.61128788
   0.31125914  0.96926489  0.71299295
   0.63382787  0.13474238  1.01230029
   0.86372950  0.12283255  0.38370615
   0.62010559  0.39912294  0.12228224
   0.88205319  0.27985872  0.20792616
   0.64594670  0.18253752  0.53499435
   0.88894408  0.10798051  0.87830126
   0.59375064  0.45183599  0.62795543
   0.75329668  0.34481149  0.80742042
   0.63542166  0.64777659 -0.00441056
   0.90858679  0.59490844  0.37472118
   0.58651229  0.88591721  0.13434572
   0.83143105  0.85681121  0.26511612
   0.64945574  0.66053235  0.48982773
   0.89031138  0.59221229  0.88196699
   0.60927561  0.96012449  0.65764674
   0.83443701  0.84578888  0.76305410
   0.11488056  0.04596605  0.12595840
   0.39506108  0.18872488  0.30215301
   0.09515905  0.27763280  0.04353789
   0.35502555  0.43259534  0.35344379
   0.55319460  0.35669723  0.22830426
   0.28696081  0.36358498  0.17054542
   0.27846201  0.09958831  0.47006729
   0.03342245  0.15695654  0.39256812
   0.04682817  0.07977598  0.57675295
   0.41255623  0.20365294  0.78118419
   0.14047744  0.32071201  0.51874278
   0.36477660  0.43588339  0.86118092
   0.44012468  0.43971274  0.67363083
   0.19630747  0.35415987  0.71037541
   0.30990628  0.18393475 -0.04331785
   0.04253288  0.16912814  0.88531199
   0.09968102  0.53906750  0.09141069
   0.38846263  0.67358409  0.27682653
   0.11143167  0.78803366  0.04729802
   0.39296205  0.93386823  0.34510720
   0.41807706  0.86760768  0.14293428
   0.17479648  0.84224085  0.23374001
   0.32416545  0.65397295  0.46844263
   0.06254338  0.61437084  0.40395953
   0.12604023  0.57360238  0.59339197
   0.32777051  0.69258583  0.79014731
   0.10859246  0.82539809  0.51913917
   0.36834160  0.96493404  0.82706203
   0.44834728  0.90685829  0.64143585
   0.16074114  0.88153916  0.70032901
   0.29706357  0.63753573 -0.01760544
   0.06236260  0.62756576  0.90519540
   0.63519464  0.04295452  0.10626541
   0.80392379  0.21782935  0.29774105
   0.59243932  0.28346144  0.04423916
   0.85358735  0.44287952  0.34486482
   0.03557152  0.34566703  0.21860937
   0.78789276  0.37717632  0.13852759
   0.80040148  0.14944195  0.49325221
   0.54221258  0.11029465  0.45480419
   0.62407888  0.12751016  0.64494324
   0.83374673  0.19411456  0.78951141
   0.61710354  0.34884407  0.53478804
   0.86709067  0.43561223  0.86417472
   0.94400793  0.39398547  0.63689285
   0.70477737  0.43906403  0.71278141
   0.79450168  0.13525702  0.97597327
   0.56084848  0.08435875  0.91550902
   0.58057110  0.54571618  0.07653983
   0.85829419  0.69457633  0.28744706
   0.63062728  0.80021986  0.03998543
   0.84200833  0.96642269  0.36473179
   0.91572933  0.88503791  0.16767608
   0.66512227  0.85902393  0.22826664
   0.81088108  0.63644443  0.47274991
   0.56589176  0.57554033  0.40695604
   0.59902857  0.60805530  0.59744484
   0.86889251  0.67971865  0.77898465
   0.60094924  0.81045645  0.46292849
   0.90753867  0.94279253  0.84881667
   0.90879311  0.88315042  0.66102937
   0.67476418  0.87623070  0.75277796
   0.80651790  0.62704840  0.98238101
   0.54544042  0.63509636  0.89630012
   0.68345960  0.88737263  0.58325877
   0.64462897  0.89162772  0.47906590
   0.89199304  0.14757391  0.16273070
   0.75370019  0.43060644  0.36079454
   0.26604213  0.10186135  0.69281525
   0.22488618  0.71256731  0.77685923
   0.04005619  1.12423848  0.16512706
   0.16425733  1.00235817 -0.02594910
   0.63469170  0.31978082  0.87122215
   0.87351822  0.46495183  0.65270805
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.738701    0.274274   -0.094396
    -0.000000    9.832962   -0.170342
    -0.000000   -0.000000   13.844101
   Si   O    H 
    32    64    10
Direct configuration=   444
   0.15323433  0.15304670 -0.03071077
   0.39978188  0.08056279  0.39124845
   0.13445799  0.38057393  0.13094602
   0.39472151  0.34031825  0.25668216
   0.12976676  0.16567431  0.49015341
   0.40929417  0.11059638  0.87387244
   0.10401913  0.40616960  0.61657483
   0.35400964  0.36038689  0.75571619
   0.13996820  0.63870696  0.00918224
   0.39959703  0.59067001  0.38033180
   0.08448127  0.88968743  0.13898757
   0.34960048  0.83295965  0.24888768
   0.15306013  0.66602161  0.49618371
   0.37681922  0.60978794  0.88331168
   0.04980441  0.92404272  0.61166573
   0.31152840  0.97012344  0.71229136
   0.63391248  0.13529925  1.01202247
   0.86340430  0.12342876  0.38334135
   0.61889143  0.39867849  0.12214370
   0.88066841  0.28092181  0.20791788
   0.64613743  0.18263589  0.53418064
   0.88837238  0.10770963  0.87868568
   0.59408942  0.45090255  0.62847362
   0.75279079  0.34427619  0.80799032
   0.63583867  0.64947066 -0.00414963
   0.90659853  0.59357284  0.37516804
   0.58575889  0.88723325  0.13473888
   0.83208169  0.85568593  0.26582429
   0.64946898  0.66048143  0.48947721
   0.89087176  0.59235841  0.88130257
   0.60967054  0.96098607  0.65754807
   0.83684614  0.84673489  0.76306121
   0.11342476  0.04628658  0.12577731
   0.39575145  0.18643960  0.30247347
   0.09532147  0.27674108  0.04348166
   0.35557477  0.43253538  0.35329532
   0.55410219  0.35759051  0.22832252
   0.28671390  0.36140269  0.17035757
   0.27776671  0.09975535  0.47029391
   0.03200858  0.15633885  0.39270090
   0.04795608  0.07834557  0.57549817
   0.41250110  0.20388832  0.78121135
   0.14098150  0.32253572  0.51944176
   0.36671815  0.43610850  0.86133801
   0.43881120  0.43965322  0.67319298
   0.19589886  0.35436793  0.70962033
   0.31151095  0.18228678 -0.04442167
   0.04133770  0.16960789  0.88418179
   0.09974107  0.53906028  0.09037799
   0.38749950  0.67250606  0.27709741
   0.11151730  0.78595360  0.04879714
   0.39302985  0.93390888  0.34518531
   0.41693359  0.86742029  0.14270451
   0.17465529  0.84043257  0.23397920
   0.32395211  0.65231408  0.46823907
   0.06012881  0.61402023  0.40487342
   0.12772502  0.57254991  0.59311621
   0.32673481  0.69258455  0.79052759
   0.10823557  0.82386160  0.51863246
   0.36947492  0.96630855  0.82487590
   0.44719168  0.90659947  0.64052063
   0.16036853  0.88261520  0.69929191
   0.29613622  0.63676423 -0.01595392
   0.06191081  0.62801422  0.90564846
   0.63558894  0.04277853  0.10726110
   0.80409932  0.21676908  0.29818638
   0.59230479  0.28273825  0.04347128
   0.85287555  0.44041666  0.34624371
   0.03503365  0.34680194  0.21952340
   0.78674866  0.37620012  0.13894373
   0.80114708  0.14849148  0.49376378
   0.54137976  0.10910137  0.45465953
   0.62432619  0.12872998  0.64450954
   0.83334830  0.19335034  0.78903376
   0.61835443  0.34667769  0.53421302
   0.86439042  0.43434571  0.86332182
   0.94427212  0.39253723  0.63720800
   0.70635047  0.43783510  0.71296097
   0.79497291  0.13589875  0.97647891
   0.56120726  0.08385913  0.91629608
   0.58106801  0.54673438  0.07789317
   0.85935035  0.69363944  0.28608167
   0.62732300  0.80096529  0.04005197
   0.84072224  0.96706021  0.36548067
   0.91577946  0.88660043  0.16779201
   0.66534885  0.85691633  0.22829971
   0.81129051  0.63939619  0.47184547
   0.56486138  0.57505244  0.40574696
   0.59889621  0.60853912  0.59854835
   0.87047236  0.68187362  0.77899681
   0.60382933  0.81019662  0.46311259
   0.90734283  0.94234110  0.84808401
   0.90753569  0.88374677  0.66155203
   0.67438477  0.87601563  0.75344858
   0.80779792  0.62724542  0.98297918
   0.54594305  0.63520688  0.89603819
   0.68608604  0.87947327  0.58285627
   0.63940647  0.89366438  0.47832507
   0.89277505  0.14230841  0.16227050
   0.75845662  0.43030183  0.36393152
   0.26032105  0.11137499  0.69309866
   0.23198698  0.70556061  0.77482257
   0.05124982  1.10733625  0.16260547
   0.16094051  1.00510353 -0.01975622
   0.64160606  0.32587715  0.87537327
   0.87892329  0.46252157  0.65242836
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.740445    0.278490   -0.095934
    -0.000000    9.833051   -0.171621
    -0.000000   -0.000000   13.845495
   Si   O    H 
    32    64    10
Direct configuration=   445
   0.15252460  0.15180414 -0.02962119
   0.39941167  0.08191185  0.39078764
   0.13296894  0.38050288  0.13101432
   0.39396785  0.34011194  0.25762244
   0.13000593  0.16643145  0.49029964
   0.40888348  0.11049701  0.87337604
   0.10443167  0.40660602  0.61524538
   0.35451351  0.36196730  0.75568032
   0.13967055  0.63917825  0.00866895
   0.39865879  0.58972625  0.37914184
   0.08493070  0.88843343  0.13882087
   0.34792522  0.83479540  0.24930555
   0.15303821  0.66756356  0.49729251
   0.37662016  0.60955639  0.88331112
   0.05097458  0.92402046  0.61238894
   0.31120009  0.97040454  0.71157379
   0.63534415  0.13515331  1.01197927
   0.86381620  0.12364352  0.38307062
   0.61791921  0.39810873  0.12205257
   0.87941051  0.28162159  0.20793687
   0.64588250  0.18234875  0.53315876
   0.88743152  0.10723286  0.87941605
   0.59393539  0.45033552  0.62943143
   0.75222839  0.34311047  0.80819910
   0.63645648  0.65111417 -0.00390883
   0.90483949  0.59229102  0.37559072
   0.58494442  0.88856479  0.13467058
   0.83294516  0.85490156  0.26663604
   0.64925797  0.65994054  0.48895066
   0.89169039  0.59269063  0.88055387
   0.61001284  0.96182787  0.65803747
   0.83892330  0.84741791  0.76282454
   0.11221565  0.04709345  0.12566854
   0.39641675  0.18504653  0.30242965
   0.09532128  0.27573674  0.04388136
   0.35635150  0.43293281  0.35334325
   0.55473107  0.35937874  0.22793472
   0.28675869  0.35909097  0.17031028
   0.27697470  0.10041143  0.47033400
   0.03123430  0.15600833  0.39212351
   0.04924550  0.07763433  0.57446843
   0.41208225  0.20390130  0.78124903
   0.14070937  0.32405784  0.52041758
   0.36931148  0.43648143  0.86212115
   0.43808644  0.43934785  0.67317666
   0.19528634  0.35495097  0.70900721
   0.31336732  0.18145616 -0.04571894
   0.04036338  0.16982346  0.88315956
   0.09994142  0.53834475  0.08995855
   0.38658462  0.67175858  0.27695129
   0.11150945  0.78548135  0.05070540
   0.39296698  0.93296477  0.34436387
   0.41578446  0.86588310  0.14287690
   0.17485223  0.83908117  0.23402386
   0.32202666  0.65069076  0.46856565
   0.05872751  0.61341857  0.40607594
   0.12964140  0.57170593  0.59321876
   0.32586650  0.69232432  0.79076304
   0.10752542  0.82342643  0.51887616
   0.37017347  0.96802073  0.82293825
   0.44618083  0.90651351  0.63971814
   0.16058908  0.88421409  0.69787397
   0.29524362  0.63598577 -0.01454409
   0.06094645  0.62890604  0.90519731
   0.63608670  0.04295575  0.10793861
   0.80391677  0.21528827  0.29890130
   0.59146676  0.28171049  0.04303238
   0.85308606  0.43851390  0.34701217
   0.03373899  0.34819888  0.22019948
   0.78578816  0.37495766  0.13922148
   0.80179791  0.14785080  0.49389907
   0.53950739  0.10759818  0.45494366
   0.62443551  0.12962161  0.64419515
   0.83222844  0.19321170  0.78813970
   0.61856748  0.34511528  0.53439344
   0.86224620  0.43308869  0.86208591
   0.94522161  0.39148660  0.63724060
   0.70766631  0.43604460  0.71324041
   0.79586776  0.13683780  0.97682280
   0.56199098  0.08233971  0.91692284
   0.58182252  0.54802622  0.07910745
   0.86082159  0.69314094  0.28505789
   0.62324346  0.80189202  0.04030417
   0.84002965  0.96628223  0.36526915
   0.91614553  0.88831432  0.16844905
   0.66598950  0.85500174  0.22901987
   0.81242617  0.64295913  0.47059148
   0.56372641  0.57452053  0.40464677
   0.59901178  0.60981830  0.59918511
   0.87202004  0.68425362  0.77875020
   0.60607555  0.81001748  0.46291639
   0.90681598  0.94336531  0.84758161
   0.90632489  0.88522979  0.66214741
   0.67310979  0.87645957  0.75424769
   0.80860880  0.62747112  0.98307045
   0.54546046  0.63535299  0.89556373
   0.68932526  0.87997010  0.58372971
   0.63654796  0.90254572  0.47677258
   0.89713531  0.13821874  0.16085243
   0.75971169  0.42806915  0.36458552
   0.25486546  0.11791187  0.69214469
   0.23363367  0.70323057  0.77021571
   0.05694104  1.09617441  0.16058790
   0.15553643  1.00922445 -0.01273718
   0.64518834  0.32972660  0.87750641
   0.88216880  0.46605465  0.65271732
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.742183    0.282581   -0.097783
    -0.000000    9.833038   -0.173311
    -0.000000   -0.000000   13.846744
   Si   O    H 
    32    64    10
Direct configuration=   446
   0.15197174  0.15137069 -0.02824984
   0.39955958  0.08326371  0.39057952
   0.13145371  0.38050177  0.13104146
   0.39318877  0.34015716  0.25855092
   0.12973877  0.16704497  0.49033065
   0.40878330  0.11047467  0.87277875
   0.10450820  0.40755047  0.61450400
   0.35439338  0.36277899  0.75541783
   0.13826208  0.63910168  0.00776249
   0.39816874  0.58845043  0.37796843
   0.08576415  0.88687409  0.13852478
   0.34614728  0.83608560  0.25001155
   0.15287649  0.66832801  0.49804000
   0.37663222  0.60914902  0.88322486
   0.05246208  0.92453430  0.61280297
   0.31069921  0.97037865  0.71077078
   0.63610988  0.13552656  1.01213527
   0.86457542  0.12438810  0.38319711
   0.61698340  0.39762925  0.12199100
   0.87833631  0.28217770  0.20759615
   0.64593863  0.18182752  0.53186286
   0.88659334  0.10646457  0.88007481
   0.59467497  0.45046391  0.63088418
   0.75131186  0.34285480  0.80883716
   0.63720567  0.65249627 -0.00411857
   0.90269476  0.59129387  0.37613696
   0.58383341  0.89005337  0.13440536
   0.83349987  0.85411527  0.26751023
   0.64876088  0.65948786  0.48860185
   0.89268703  0.59284182  0.88014585
   0.61018990  0.96267086  0.65845885
   0.84070972  0.84776834  0.76314912
   0.11272877  0.04723020  0.12508870
   0.39696335  0.18363840  0.30232113
   0.09581787  0.27482496  0.04404734
   0.35757760  0.43321210  0.35350829
   0.55533424  0.36082345  0.22767326
   0.28674055  0.35713179  0.17075357
   0.27679044  0.10010361  0.46991526
   0.02956522  0.15545161  0.39122277
   0.05119948  0.07722092  0.57386682
   0.41221205  0.20393321  0.78085002
   0.14001580  0.32539170  0.52160599
   0.37137060  0.43653944  0.86362869
   0.43701641  0.43886592  0.67304367
   0.19503476  0.35554162  0.70806297
   0.31475306  0.18104136 -0.04616564
   0.03939405  0.17030330  0.88206011
   0.09967314  0.53786984  0.09027087
   0.38542374  0.67138799  0.27690799
   0.11072917  0.78539579  0.05240275
   0.39200423  0.93172346  0.34340431
   0.41556781  0.86399014  0.14289320
   0.17470968  0.83786672  0.23422470
   0.31915040  0.64984842  0.46878888
   0.05752371  0.61292651  0.40717810
   0.13242871  0.57041095  0.59322186
   0.32548145  0.69142679  0.79093448
   0.10640084  0.82347684  0.51922179
   0.37082929  0.96970747  0.82077661
   0.44561605  0.90666505  0.63915186
   0.16091711  0.88575158  0.69672536
   0.29543112  0.63549281 -0.01322060
   0.05912466  0.62918622  0.90426905
   0.63578753  0.04235265  0.10868662
   0.80267852  0.21463958  0.30032376
   0.59010527  0.28056762  0.04272224
   0.85383362  0.43743509  0.34738434
   0.03348841  0.34874817  0.22069895
   0.78488988  0.37419127  0.13982111
   0.80223727  0.14727199  0.49385734
   0.53906113  0.10711780  0.45526308
   0.62516553  0.12980975  0.64413227
   0.83035643  0.19379162  0.78668632
   0.61904251  0.34444002  0.53481153
   0.86065255  0.43235619  0.86113147
   0.94615465  0.39060172  0.63763334
   0.70852119  0.43431525  0.71351735
   0.79645363  0.13741842  0.97676803
   0.56300052  0.08098765  0.91702821
   0.58172658  0.54892547  0.07998282
   0.86158508  0.69238556  0.28457117
   0.61924723  0.80245877  0.04084054
   0.83905945  0.96456060  0.36488025
   0.91630226  0.88994386  0.16962716
   0.66721294  0.85287740  0.22947971
   0.81355779  0.64631614  0.46924770
   0.56335979  0.57456735  0.40408721
   0.59954649  0.60982627  0.59883739
   0.87292130  0.68647611  0.77853048
   0.60750777  0.81011273  0.46326367
   0.90628443  0.94438346  0.84711111
   0.90502790  0.88625347  0.66221996
   0.67190736  0.87662535  0.75483325
   0.80903333  0.62783968  0.98302044
   0.54420417  0.63515902  0.89504888
   0.69095547  0.88480807  0.58664084
   0.63274889  0.90788516  0.47531728
   0.90590322  0.13620565  0.15883582
   0.75276196  0.42433474  0.36842400
   0.25170044  0.11667666  0.69012692
   0.23345757  0.70176257  0.76597359
   0.04035657  1.10512904  0.16814997
   0.14839020  1.01163247 -0.01022277
   0.64626781  0.33383610  0.87788979
   0.88313680  0.47087459  0.65374452
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.744231    0.286219   -0.099686
    -0.000000    9.833001   -0.175317
    -0.000000   -0.000000   13.847192
   Si   O    H 
    32    64    10
Direct configuration=   447
   0.15146108  0.15099685 -0.02682306
   0.39928157  0.08440725  0.39036223
   0.13049363  0.38096499  0.13151422
   0.39293097  0.33946623  0.25948270
   0.12895874  0.16741168  0.49067892
   0.40910597  0.11068057  0.87226857
   0.10508590  0.40895689  0.61370373
   0.35414813  0.36317505  0.75512071
   0.13695014  0.63877332  0.00716466
   0.39775528  0.58722313  0.37653084
   0.08681039  0.88576509  0.13849126
   0.34413280  0.83673572  0.25045606
   0.15202651  0.66853054  0.49858658
   0.37660502  0.60856196  0.88317598
   0.05415922  0.92425811  0.61296400
   0.31058035  0.97031418  0.71000327
   0.63771542  0.13538342  1.01251916
   0.86545881  0.12492565  0.38339740
   0.61698896  0.39749000  0.12221317
   0.87827773  0.28238419  0.20715529
   0.64598671  0.18124671  0.53067209
   0.88597195  0.10591832  0.88018428
   0.59535600  0.45046235  0.63201886
   0.75020322  0.34338499  0.80930510
   0.63787401  0.65373960 -0.00481894
   0.90078618  0.59030352  0.37643829
   0.58293462  0.89135879  0.13451740
   0.83421809  0.85342387  0.26813950
   0.64821565  0.65907268  0.48843023
   0.89364107  0.59322776  0.87979644
   0.61028495  0.96313115  0.65850133
   0.84233783  0.84777006  0.76352820
   0.11281370  0.04682588  0.12528729
   0.39682151  0.18298962  0.30180465
   0.09562736  0.27376356  0.04377632
   0.35791840  0.43371732  0.35315652
   0.55580633  0.36160178  0.22661065
   0.28671670  0.35542524  0.17134816
   0.27712300  0.10009448  0.46926901
   0.02835753  0.15460719  0.39039733
   0.05251843  0.07653230  0.57254702
   0.41169353  0.20456451  0.78064015
   0.13930416  0.32564408  0.52252605
   0.37376171  0.43740043  0.86427386
   0.43671143  0.43801111  0.67339525
   0.19514998  0.35525625  0.70699471
   0.31585678  0.18042057 -0.04675012
   0.03888546  0.17065627  0.88143717
   0.09958127  0.53783641  0.09117119
   0.38484458  0.67161981  0.27696375
   0.10961773  0.78553975  0.05375318
   0.39094372  0.92993045  0.34261119
   0.41587209  0.86295356  0.14267122
   0.17521914  0.83619933  0.23507816
   0.31594644  0.64840531  0.46931974
   0.05668230  0.61311019  0.40864893
   0.13470083  0.56892598  0.59287418
   0.32654726  0.69060838  0.79134299
   0.10544403  0.82407779  0.51920287
   0.37138233  0.97038137  0.81884349
   0.44532520  0.90662230  0.63913784
   0.16225643  0.88683753  0.69592430
   0.29587409  0.63536022 -0.01232869
   0.05669047  0.62949563  0.90367261
   0.63559999  0.04160354  0.10938772
   0.80152352  0.21441926  0.30106241
   0.58870175  0.27988138  0.04254375
   0.85517875  0.43707409  0.34767706
   0.03247134  0.34883544  0.22105754
   0.78349157  0.37353898  0.14040686
   0.80300401  0.14636573  0.49384828
   0.53902113  0.10657809  0.45554760
   0.62575305  0.12965592  0.64387871
   0.82865743  0.19548384  0.78525271
   0.62006708  0.34394697  0.53528159
   0.85974442  0.43230496  0.86047175
   0.94671654  0.39022856  0.63771332
   0.70906335  0.43242738  0.71384610
   0.79743539  0.13822590  0.97729092
   0.56369647  0.08037934  0.91681181
   0.58195122  0.54948795  0.07960679
   0.86220877  0.69033151  0.28448763
   0.61643820  0.80238789  0.04070649
   0.83812972  0.96186231  0.36334037
   0.91712713  0.89157309  0.17052948
   0.66872678  0.85114847  0.22983694
   0.81451082  0.64869411  0.46830532
   0.56255016  0.57385154  0.40366063
   0.60079120  0.61019345  0.59761630
   0.87427952  0.68826193  0.77896733
   0.60860262  0.81012204  0.46371402
   0.90591200  0.94482627  0.84673571
   0.90482455  0.88698619  0.66233271
   0.67104385  0.87658929  0.75487403
   0.80880450  0.62867929  0.98239917
   0.54348906  0.63403927  0.89451948
   0.69061955  0.89297840  0.58649743
   0.63144352  0.90544706  0.47443348
   0.91281891  0.13811419  0.15723146
   0.75230707  0.42052584  0.37070456
   0.25292051  0.10846844  0.68696596
   0.23374097  0.70187215  0.76191223
   0.03019600  1.10409244  0.16996458
   0.14262089  1.00953131 -0.00707234
   0.64351241  0.33580662  0.87853753
   0.88963933  0.47088703  0.65335930
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.745979    0.289301   -0.101838
    -0.000000    9.832904   -0.177909
    -0.000000   -0.000000   13.847633
   Si   O    H 
    32    64    10
Direct configuration=   448
   0.15053832  0.14996545 -0.02577454
   0.39892869  0.08526784  0.39023400
   0.12940498  0.38143100  0.13143160
   0.39285087  0.33889080  0.26095023
   0.12804167  0.16740856  0.49092097
   0.40953574  0.11126361  0.87121863
   0.10555584  0.41067480  0.61345567
   0.35427469  0.36354943  0.75489383
   0.13609827  0.63839567  0.00708311
   0.39726052  0.58640901  0.37540172
   0.08734066  0.88479044  0.13873295
   0.34248097  0.83717526  0.25096539
   0.15126080  0.66900270  0.49908470
   0.37699564  0.60759958  0.88300370
   0.05541501  0.92414188  0.61311075
   0.31004894  0.97009303  0.70868712
   0.63905202  0.13475811  1.01282367
   0.86592585  0.12532932  0.38368671
   0.61760740  0.39750421  0.12237553
   0.87853998  0.28242028  0.20698850
   0.64558174  0.18058139  0.52950962
   0.88607203  0.10510771  0.88006334
   0.59577435  0.45090268  0.63298283
   0.74956221  0.34337899  0.80951971
   0.63847004  0.65467157 -0.00595051
   0.89879593  0.58971482  0.37675112
   0.58190392  0.89237861  0.13445375
   0.83448187  0.85259705  0.26829137
   0.64750183  0.65825727  0.48826286
   0.89486461  0.59310983  0.87916102
   0.61045321  0.96346344  0.65900828
   0.84365078  0.84813885  0.76406475
   0.11187510  0.04606629  0.12650488
   0.39599000  0.18205711  0.30131202
   0.09536385  0.27278823  0.04352322
   0.35813126  0.43439572  0.35230085
   0.55619951  0.36304232  0.22581347
   0.28615519  0.35379401  0.17144771
   0.27796021  0.09973260  0.46839079
   0.02776863  0.15339607  0.38974380
   0.05324019  0.07630144  0.57105488
   0.41148443  0.20599792  0.77935579
   0.13823856  0.32536225  0.52248541
   0.37595488  0.43861768  0.86471675
   0.43733597  0.43711263  0.67300851
   0.19585577  0.35497364  0.70614195
   0.31697837  0.18006915 -0.04735733
   0.03841115  0.17085309  0.88119467
   0.10067819  0.53696453  0.09289153
   0.38515101  0.67218955  0.27746355
   0.10876657  0.78595919  0.05513644
   0.38998682  0.92770264  0.34211434
   0.41680025  0.86225304  0.14293928
   0.17494283  0.83413189  0.23604513
   0.31306774  0.64684271  0.47015558
   0.05593079  0.61340632  0.41004499
   0.13704815  0.56778516  0.59261510
   0.32718633  0.68968500  0.79102753
   0.10362282  0.82499348  0.51949164
   0.37172801  0.97064832  0.81724138
   0.44494339  0.90656157  0.63984606
   0.16365130  0.88745952  0.69533085
   0.29652765  0.63513148 -0.01203275
   0.05420528  0.62897421  0.90313548
   0.63599104  0.04171954  0.11036118
   0.80035946  0.21408739  0.30131595
   0.58689510  0.27966939  0.04262079
   0.85547632  0.43752615  0.34790906
   0.03134398  0.34921752  0.22218711
   0.78223543  0.37367445  0.14127146
   0.80289402  0.14531952  0.49357490
   0.53833271  0.10640689  0.45596054
   0.62635481  0.12945859  0.64323237
   0.82698898  0.19723739  0.78386311
   0.62111292  0.34430565  0.53608715
   0.86051230  0.43361183  0.85956971
   0.94640485  0.39019631  0.63763623
   0.71028556  0.43067722  0.71453709
   0.79916171  0.13837157  0.97775342
   0.56366974  0.07950605  0.91721536
   0.58198896  0.54958417  0.07920604
   0.86279154  0.68798683  0.28488612
   0.61450680  0.80289682  0.04041670
   0.83689876  0.95854394  0.36148028
   0.91738430  0.89347702  0.17127768
   0.66951301  0.84947046  0.23052885
   0.81468144  0.65101456  0.46783868
   0.56226345  0.57360015  0.40364153
   0.60186867  0.60976559  0.59672477
   0.87513496  0.68949443  0.77972777
   0.60985572  0.80997159  0.46427805
   0.90545411  0.94494918  0.84627053
   0.90455829  0.88777103  0.66191616
   0.67096665  0.87744650  0.75528637
   0.80822858  0.62944825  0.98159297
   0.54405887  0.63335099  0.89408768
   0.69203210  0.90243270  0.58937290
   0.63132101  0.89623570  0.47415223
   0.91437206  0.14665209  0.15726155
   0.76019407  0.41915483  0.37032842
   0.25768503  0.09799996  0.68476001
   0.23562170  0.70163620  0.75927048
   0.02680499  1.09791806  0.16333739
   0.14381842  1.00551617 -0.00763379
   0.63812356  0.33520993  0.88146248
   0.89502985  0.46900314  0.65281338
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.747715    0.292894   -0.104035
    -0.000000    9.833025   -0.180739
    -0.000000   -0.000000   13.848241
   Si   O    H 
    32    64    10
Direct configuration=   449
   0.14885082  0.14920769 -0.02463330
   0.39874847  0.08601455  0.39008971
   0.12860193  0.38197258  0.13123543
   0.39306165  0.33805561  0.26239422
   0.12719044  0.16775632  0.49157182
   0.40967266  0.11131486  0.87076901
   0.10622540  0.41267796  0.61376530
   0.35447590  0.36393566  0.75527500
   0.13476841  0.63805998  0.00686295
   0.39655747  0.58623603  0.37456781
   0.08791820  0.88497617  0.13928455
   0.34019672  0.83691875  0.25082256
   0.15094009  0.66920902  0.49932968
   0.37775637  0.60654156  0.88317172
   0.05638064  0.92405369  0.61340381
   0.30932822  0.96939892  0.70727200
   0.64050446  0.13325491  1.01277561
   0.86676439  0.12519960  0.38411731
   0.61817645  0.39778171  0.12249288
   0.87878328  0.28264768  0.20692122
   0.64549490  0.18019883  0.52886599
   0.88612708  0.10473202  0.87972573
   0.59606242  0.45151149  0.63387737
   0.74875259  0.34326761  0.80974342
   0.63905162  0.65556783 -0.00691828
   0.89684039  0.58903969  0.37686128
   0.58074044  0.89345894  0.13465028
   0.83445280  0.85132992  0.26874884
   0.64608765  0.65710972  0.48857217
   0.89604805  0.59307311  0.87872713
   0.61024493  0.96320688  0.65937289
   0.84425679  0.84853942  0.76420422
   0.11100407  0.04526037  0.12762359
   0.39546693  0.18171754  0.30024823
   0.09477672  0.27178913  0.04273232
   0.35843848  0.43437156  0.35186763
   0.55544094  0.36450585  0.22512888
   0.28524747  0.35197887  0.17116394
   0.27893756  0.09993114  0.46793434
   0.02805979  0.15281570  0.38929934
   0.05373724  0.07621937  0.56891646
   0.41107817  0.20902963  0.77822285
   0.13736978  0.32406963  0.52169497
   0.37782734  0.43924744  0.86484930
   0.43834688  0.43589571  0.67285233
   0.19672484  0.35420330  0.70516578
   0.31837882  0.17961355 -0.04755788
   0.03885285  0.17072651  0.88099082
   0.10181303  0.53561359  0.09502370
   0.38536529  0.67274391  0.27780927
   0.10857886  0.78536368  0.05602842
   0.38978842  0.92632707  0.34196415
   0.41754737  0.86179568  0.14332263
   0.17391965  0.83218212  0.23614185
   0.31045087  0.64509026  0.47125447
   0.05531024  0.61316958  0.41117158
   0.13909377  0.56705362  0.59228163
   0.32713168  0.68875294  0.79039277
   0.10149624  0.82585660  0.51859694
   0.37146895  0.97065878  0.81555808
   0.44408353  0.90648850  0.64088869
   0.16527912  0.88823429  0.69527076
   0.29760002  0.63452428 -0.01240413
   0.05198982  0.62879646  0.90307482
   0.63581097  0.04187814  0.11133923
   0.80004837  0.21346066  0.30120804
   0.58500933  0.28012374  0.04279840
   0.85530315  0.43738517  0.34828810
   0.03010799  0.34992414  0.22282326
   0.78151224  0.37403755  0.14193212
   0.80233535  0.14382513  0.49365469
   0.53896581  0.10628797  0.45609781
   0.62674432  0.12952668  0.64239041
   0.82590148  0.19872508  0.78304506
   0.62200112  0.34477713  0.53687343
   0.86174960  0.43543737  0.85921879
   0.94574331  0.38990791  0.63822528
   0.71055197  0.42879469  0.71510086
   0.80000510  0.13908095  0.97805768
   0.56294721  0.07863998  0.91769411
   0.58218629  0.54934817  0.07894636
   0.86341834  0.68635327  0.28557810
   0.61337807  0.80349392  0.03999150
   0.83538007  0.95505612  0.36011715
   0.91791178  0.89565836  0.17169642
   0.67048745  0.84820375  0.23113558
   0.81453621  0.65332645  0.46747136
   0.56216923  0.57353123  0.40404637
   0.60251981  0.60919513  0.59550939
   0.87635193  0.69032159  0.78077819
   0.61098283  0.80910880  0.46492855
   0.90518750  0.94524969  0.84614976
   0.90409919  0.88827108  0.66133295
   0.67028859  0.87856968  0.75534898
   0.80696869  0.62997072  0.98029155
   0.54488495  0.63224709  0.89364351
   0.69296226  0.91131828  0.58586436
   0.63407169  0.90503866  0.47642008
   0.91144201  0.15793336  0.15657082
   0.76972990  0.41780589  0.36866588
   0.26061568  0.09301030  0.68168087
   0.24344210  0.69765543  0.75733771
   0.03131640  1.08900934  0.15243754
   0.14887610  1.00076106 -0.01313492
   0.63469891  0.33465614  0.88216253
   0.89564292  0.47418997  0.65515104
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.749656    0.296154   -0.106486
    -0.000000    9.832917   -0.183297
    -0.000000   -0.000000   13.848945
   Si   O    H 
    32    64    10
Direct configuration=   450
   0.14771815  0.14799025 -0.02356520
   0.39889366  0.08653389  0.39015437
   0.12787431  0.38274661  0.13055617
   0.39336424  0.33701159  0.26353152
   0.12687391  0.16877974  0.49148468
   0.41014540  0.11117158  0.87029811
   0.10707035  0.41494592  0.61391674
   0.35438171  0.36444864  0.75552377
   0.13342151  0.63837022  0.00725802
   0.39570776  0.58597939  0.37430073
   0.08838358  0.88525086  0.14008723
   0.33779331  0.83642613  0.25051082
   0.15043301  0.66895390  0.49983415
   0.37847205  0.60548864  0.88314198
   0.05716534  0.92378006  0.61341222
   0.30935695  0.96877101  0.70621277
   0.64178847  0.13216953  1.01249772
   0.86717616  0.12481220  0.38477124
   0.61832857  0.39776665  0.12263369
   0.87923311  0.28256522  0.20733701
   0.64562893  0.18003227  0.52816015
   0.88636636  0.10458188  0.87958875
   0.59664623  0.45100456  0.63440009
   0.74794071  0.34280239  0.81029216
   0.63985209  0.65614130 -0.00746871
   0.89490685  0.58918799  0.37687958
   0.57971052  0.89429788  0.13492043
   0.83522268  0.85052821  0.26883040
   0.64444678  0.65595555  0.48852626
   0.89746383  0.59247598  0.87819008
   0.60949447  0.96254420  0.66033737
   0.84452699  0.84882032  0.76402517
   0.11111745  0.04445484  0.12890090
   0.39364374  0.18173724  0.29877138
   0.09393278  0.27159932  0.04246403
   0.35821565  0.43385876  0.35149360
   0.55400112  0.36600255  0.22465139
   0.28482302  0.35027298  0.17060832
   0.27918734  0.10089344  0.46817995
   0.02837000  0.15304977  0.38834946
   0.05441315  0.07672039  0.56699382
   0.41074445  0.21226293  0.77708111
   0.13658649  0.32218902  0.52024562
   0.37956479  0.44002837  0.86495302
   0.43936401  0.43470943  0.67211678
   0.19738548  0.35302717  0.70435522
   0.31868799  0.17966921 -0.04840206
   0.03898849  0.17077481  0.88071681
   0.10301615  0.53430071  0.09640739
   0.38441925  0.67375243  0.27802315
   0.10757300  0.78440042  0.05624353
   0.38943432  0.92483663  0.34243901
   0.41766506  0.86199215  0.14398234
   0.17223396  0.83131172  0.23644118
   0.30756257  0.64395716  0.47248687
   0.05475570  0.61319498  0.41193150
   0.14020925  0.56671680  0.59215020
   0.32775737  0.68808166  0.78993437
   0.09903108  0.82623209  0.51760803
   0.37073346  0.97116018  0.81521892
   0.44435476  0.90641982  0.64169711
   0.16627371  0.88840780  0.69553754
   0.29877191  0.63460272 -0.01321520
   0.05032900  0.62885751  0.90323183
   0.63458532  0.04214992  0.11226676
   0.80057256  0.21362233  0.30086624
   0.58243002  0.27947102  0.04326484
   0.85648112  0.43726100  0.34844194
   0.02881501  0.35111402  0.22323831
   0.78014070  0.37430765  0.14328885
   0.80217475  0.14296788  0.49420258
   0.53930372  0.10551232  0.45585288
   0.62706516  0.12949810  0.64179874
   0.82456755  0.19935298  0.78248086
   0.62298491  0.34630279  0.53772711
   0.86391203  0.43794777  0.85909368
   0.94571675  0.39019858  0.63823610
   0.71098789  0.42727261  0.71580949
   0.80129455  0.13903401  0.97810818
   0.56189854  0.07816031  0.91830641
   0.58181775  0.54901113  0.07864525
   0.86414273  0.68608621  0.28605129
   0.61261985  0.80354045  0.03965506
   0.83438213  0.95241065  0.35915305
   0.91808263  0.89750317  0.17219164
   0.67154960  0.84616837  0.23189189
   0.81414958  0.65505471  0.46718646
   0.56215576  0.57356020  0.40413784
   0.60375085  0.60880217  0.59393599
   0.87702369  0.69080444  0.78209682
   0.61126327  0.80895820  0.46538168
   0.90527209  0.94572673  0.84640299
   0.90427253  0.88876283  0.66075880
   0.67015208  0.87903655  0.75520590
   0.80553803  0.63065840  0.97897550
   0.54606715  0.63180421  0.89255191
   0.69772032  0.91845631  0.57948728
   0.63301834  0.90868577  0.47609423
   0.90699651  0.16668786  0.15245708
   0.76295648  0.41506759  0.36723529
   0.25690555  0.09811395  0.68015226
   0.24141419  0.69559277  0.75188857
   0.02810873  1.08702996  0.14578856
   0.16008056  0.99489600 -0.02092006
   0.63344912  0.33408682  0.87866422
   0.89657576  0.47927379  0.65780533
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752035    0.299094   -0.109659
    -0.000000    9.832834   -0.186163
    -0.000000   -0.000000   13.849328
   Si   O    H 
    32    64    10
Direct configuration=   451
   0.14708142  0.14706028 -0.02303923
   0.39863702  0.08672503  0.39050434
   0.12785578  0.38346165  0.13001151
   0.39384526  0.33554700  0.26444503
   0.12658451  0.16991904  0.49105005
   0.41073427  0.11077101  0.86956237
   0.10764454  0.41692115  0.61397675
   0.35391551  0.36459514  0.75588924
   0.13215943  0.63832796  0.00728958
   0.39483213  0.58595369  0.37413556
   0.08820332  0.88576121  0.14078167
   0.33547845  0.83569396  0.25027792
   0.14975154  0.66895477  0.50028328
   0.37907560  0.60403722  0.88351616
   0.05792413  0.92387405  0.61279560
   0.30949364  0.96793599  0.70554802
   0.64365266  0.13094275  1.01242600
   0.86719407  0.12417687  0.38519588
   0.61816927  0.39748788  0.12269243
   0.87947076  0.28252159  0.20789708
   0.64591199  0.17968061  0.52768777
   0.88757578  0.10481091  0.87860834
   0.59741624  0.45104747  0.63478706
   0.74747497  0.34224159  0.81057539
   0.64064292  0.65660238 -0.00832260
   0.89382966  0.58924446  0.37741664
   0.57912846  0.89471899  0.13534663
   0.83578601  0.84914810  0.26847177
   0.64344460  0.65442799  0.48844872
   0.89791850  0.59192019  0.87764913
   0.60854912  0.96158786  0.66102357
   0.84483374  0.84969315  0.76357455
   0.11110982  0.04284000  0.12920062
   0.39125137  0.18152407  0.29776863
   0.09254151  0.27190669  0.04206159
   0.35818924  0.43226437  0.35181355
   0.55196092  0.36729589  0.22427415
   0.28445681  0.34856404  0.17023869
   0.27936322  0.10252076  0.46792535
   0.02919200  0.15347725  0.38779005
   0.05485228  0.07713426  0.56568854
   0.41100304  0.21738678  0.77612679
   0.13601401  0.32073119  0.51897542
   0.38077962  0.44084914  0.86563183
   0.43994039  0.43374705  0.67171443
   0.19826946  0.35273970  0.70446486
   0.31827339  0.17936643 -0.04883840
   0.03937109  0.17031600  0.88095865
   0.10368170  0.53303675  0.09741931
   0.38369560  0.67488131  0.27852594
   0.10579819  0.78379004  0.05560578
   0.38936465  0.92296343  0.34265764
   0.41751902  0.86211352  0.14438514
   0.17041883  0.83081806  0.23686550
   0.30509952  0.64316234  0.47377749
   0.05496642  0.61288600  0.41235898
   0.14118881  0.56601912  0.59169808
   0.32835910  0.68765820  0.78926624
   0.09658654  0.82712181  0.51682943
   0.36979201  0.97115850  0.81472028
   0.44515301  0.90603770  0.64275167
   0.16720885  0.88797577  0.69522058
   0.29990544  0.63539138 -0.01426100
   0.04947938  0.62924315  0.90352368
   0.63314319  0.04246622  0.11257160
   0.80034121  0.21330530  0.30004458
   0.57994284  0.27833789  0.04376364
   0.85740407  0.43754594  0.34902153
   0.02776607  0.35211583  0.22378761
   0.77965059  0.37501031  0.14474673
   0.80224024  0.14250481  0.49444768
   0.53900743  0.10529459  0.45535645
   0.62709581  0.12921016  0.64085662
   0.82343819  0.19989424  0.78238115
   0.62347254  0.34824036  0.53870855
   0.86591740  0.44053359  0.85907425
   0.94569163  0.39125077  0.63903336
   0.71116352  0.42654187  0.71654807
   0.80223366  0.13897541  0.97787985
   0.56131231  0.07780233  0.91861515
   0.58119687  0.54901001  0.07862317
   0.86499148  0.68613996  0.28641290
   0.61247059  0.80317144  0.03907149
   0.83408392  0.95061448  0.35833050
   0.91860156  0.89846960  0.17307074
   0.67301913  0.84526407  0.23237265
   0.81347792  0.65547868  0.46697985
   0.56176288  0.57393890  0.40461564
   0.60603364  0.60759981  0.59267760
   0.87682812  0.69109648  0.78323529
   0.61083489  0.80998224  0.46573948
   0.90469809  0.94632478  0.84657501
   0.90518980  0.88967191  0.65988271
   0.66989201  0.88022271  0.75574147
   0.80466812  0.63158978  0.97741513
   0.54665039  0.63111829  0.89175600
   0.69791339  0.92139618  0.57530792
   0.63008155  0.90312518  0.47616573
   0.90365690  0.16634321  0.14390436
   0.75587900  0.41502982  0.36632763
   0.25451245  0.10969858  0.67852354
   0.24480173  0.69279841  0.74772223
   0.01592401  1.09756208  0.13988823
   0.16969815  0.99440699 -0.02538329
   0.63300431  0.33199123  0.87466148
   0.89894464  0.47541314  0.65779985
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754228    0.302236   -0.112984
    -0.000000    9.832794   -0.189089
    -0.000000   -0.000000   13.849376
   Si   O    H 
    32    64    10
Direct configuration=   452
   0.14694895  0.14610981 -0.02279147
   0.39825506  0.08681767  0.39087934
   0.12817447  0.38324914  0.12973939
   0.39390788  0.33337006  0.26476646
   0.12678665  0.17026026  0.49048454
   0.41132573  0.11085834  0.86923578
   0.10790536  0.41822042  0.61392293
   0.35299763  0.36469762  0.75612638
   0.13117567  0.63870824  0.00729666
   0.39386482  0.58599671  0.37423445
   0.08736711  0.88642837  0.14175352
   0.33345713  0.83527322  0.25027592
   0.14877814  0.66828942  0.50053883
   0.38046542  0.60311425  0.88438700
   0.05805838  0.92418670  0.61175039
   0.30987833  0.96734182  0.70484775
   0.64566711  0.12944405  1.01249463
   0.86675926  0.12364880  0.38612497
   0.61804232  0.39828637  0.12278570
   0.87964152  0.28250313  0.20874551
   0.64590715  0.17890621  0.52731726
   0.88884594  0.10523718  0.87748045
   0.59847659  0.45140371  0.63501596
   0.74745522  0.34171780  0.81101073
   0.64087970  0.65667665 -0.00864401
   0.89328086  0.58987993  0.37760938
   0.57884307  0.89570230  0.13604856
   0.83563463  0.84774961  0.26786716
   0.64228374  0.65262193  0.48771918
   0.89819358  0.59203688  0.87741602
   0.60689048  0.96059717  0.66116717
   0.84492446  0.85053372  0.76274936
   0.11076754  0.04220519  0.13006033
   0.38953757  0.18025211  0.29686001
   0.09145097  0.27235337  0.04226431
   0.35806111  0.43036337  0.35204563
   0.54985628  0.36849720  0.22409901
   0.28371749  0.34670394  0.17025963
   0.27996335  0.10437395  0.46781777
   0.03038913  0.15346990  0.38747017
   0.05435152  0.07784211  0.56454337
   0.41162986  0.22105998  0.77571827
   0.13595973  0.31974134  0.51761056
   0.38170917  0.44111727  0.86627325
   0.44126441  0.43280364  0.67145369
   0.19914174  0.35274752  0.70435305
   0.31695234  0.17894772 -0.04899176
   0.03923060  0.16956183  0.88132789
   0.10396946  0.53297828  0.09739138
   0.38345547  0.67622300  0.27841290
   0.10371668  0.78211677  0.05554872
   0.38965316  0.92165510  0.34246150
   0.41774162  0.86337727  0.14526353
   0.16889687  0.83117214  0.23745099
   0.30342587  0.64223390  0.47431240
   0.05484036  0.61199584  0.41250151
   0.14218159  0.56618337  0.59109350
   0.32926081  0.68704619  0.78861728
   0.09491481  0.82834869  0.51645703
   0.36889251  0.97095462  0.81438876
   0.44598414  0.90564619  0.64385533
   0.16853802  0.88708388  0.69476480
   0.30059336  0.63566739 -0.01573024
   0.04907885  0.62926240  0.90375963
   0.63164761  0.04350711  0.11279756
   0.79982917  0.21408985  0.29912912
   0.57831195  0.27684700  0.04457670
   0.85720597  0.43773259  0.34945848
   0.02692360  0.35323124  0.22413134
   0.77917351  0.37598156  0.14601021
   0.80266290  0.14198019  0.49404351
   0.53929649  0.10490051  0.45528514
   0.62679937  0.12834362  0.63994962
   0.82281605  0.19982657  0.78273181
   0.62351493  0.35005440  0.53938798
   0.86751101  0.44217727  0.85912822
   0.94603277  0.39205561  0.63987547
   0.71026462  0.42581221  0.71710721
   0.80306195  0.13947920  0.97818182
   0.56040603  0.07802855  0.91860973
   0.58124945  0.54956171  0.07840407
   0.86560216  0.68577650  0.28634871
   0.61217117  0.80329649  0.03867896
   0.83415088  0.94931773  0.35784376
   0.91951710  0.89882061  0.17412025
   0.67479445  0.84439130  0.23297229
   0.81169609  0.65515674  0.46744900
   0.56134906  0.57389351  0.40515037
   0.60802264  0.60613129  0.59137942
   0.87616693  0.69085892  0.78416685
   0.61051221  0.81040263  0.46589175
   0.90374499  0.94813933  0.84719259
   0.90652170  0.89091424  0.65890555
   0.66981649  0.88217576  0.75677931
   0.80367016  0.63253702  0.97574863
   0.54676224  0.63081212  0.89055959
   0.69617565  0.92591123  0.57519577
   0.62762251  0.89554345  0.47629704
   0.90288564  0.16129860  0.13673699
   0.75659217  0.41491733  0.36235665
   0.25516900  0.11580768  0.67725304
   0.24892331  0.68802209  0.74370039
   0.01305719  1.10194455  0.13365582
   0.17744042  0.99604107 -0.02762933
   0.63275745  0.33135710  0.87224759
   0.90129786  0.47164338  0.65632027
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756216    0.304731   -0.115922
    -0.000000    9.832846   -0.192122
    -0.000000   -0.000000   13.849647
   Si   O    H 
    32    64    10
Direct configuration=   453
   0.14683996  0.14468180 -0.02267566
   0.39770083  0.08637794  0.39160232
   0.12864606  0.38221525  0.12956786
   0.39366676  0.33192653  0.26496015
   0.12731353  0.16994124  0.48987533
   0.41143705  0.11168839  0.86892208
   0.10782448  0.41915726  0.61415562
   0.35247137  0.36489671  0.75638960
   0.13056917  0.63848697  0.00711793
   0.39342066  0.58636281  0.37453869
   0.08564665  0.88710908  0.14256460
   0.33178344  0.83479952  0.25041919
   0.14771954  0.66783336  0.50048265
   0.38224401  0.60222502  0.88532694
   0.05841280  0.92549523  0.61052657
   0.31098839  0.96684094  0.70383880
   0.64764261  0.12864111  1.01227896
   0.86641005  0.12180944  0.38699591
   0.61786424  0.39905895  0.12260652
   0.87938930  0.28253270  0.20978671
   0.64617516  0.17839095  0.52687962
   0.89045344  0.10540667  0.87633122
   0.59903020  0.45176380  0.63459810
   0.74802785  0.34210036  0.81157224
   0.64061825  0.65650546 -0.00867210
   0.89247066  0.59051552  0.37749782
   0.57856151  0.89653112  0.13698254
   0.83563927  0.84602115  0.26700090
   0.64141242  0.65132173  0.48708889
   0.89829015  0.59299020  0.87675265
   0.60576601  0.95936288  0.66119287
   0.84379184  0.85118836  0.76203827
   0.10931354  0.04159989  0.13006045
   0.38806696  0.17837351  0.29622684
   0.09026391  0.27262666  0.04247469
   0.35748904  0.42934924  0.35274916
   0.54809087  0.36934355  0.22416347
   0.28235699  0.34359172  0.17036021
   0.28020908  0.10660071  0.46730878
   0.03209287  0.15339277  0.38713396
   0.05384874  0.07846630  0.56411185
   0.41211696  0.22429990  0.77549733
   0.13588138  0.31984378  0.51648704
   0.38133317  0.44148936  0.86618421
   0.44279164  0.43210870  0.67174285
   0.20045920  0.35248781  0.70390040
   0.31498009  0.17899181 -0.04921986
   0.03845902  0.16953951  0.88204836
   0.10267545  0.53343235  0.09662395
   0.38323625  0.67683303  0.27819914
   0.10141330  0.78097947  0.05537768
   0.39009475  0.92154573  0.34168573
   0.41690416  0.86439700  0.14714561
   0.16839802  0.83138660  0.23856623
   0.30283356  0.64076764  0.47383861
   0.05458890  0.61012510  0.41251319
   0.14291234  0.56698787  0.59093412
   0.32979943  0.68620981  0.78835170
   0.09462938  0.82878577  0.51629674
   0.36842687  0.97013665  0.81424690
   0.44652140  0.90589503  0.64443092
   0.16972694  0.88581983  0.69460323
   0.30181782  0.63592254 -0.01744351
   0.04984179  0.63018759  0.90410045
   0.63072477  0.04510861  0.11264147
   0.79932423  0.21380783  0.29823704
   0.57673887  0.27536893  0.04501123
   0.85634842  0.43862529  0.35000437
   0.02663988  0.35471657  0.22402080
   0.77899587  0.37665834  0.14743344
   0.80255017  0.14103318  0.49341302
   0.53841126  0.10435722  0.45502264
   0.62610532  0.12835398  0.63917546
   0.82175712  0.19942183  0.78407537
   0.62354977  0.35150525  0.53986262
   0.86889234  0.44293060  0.85911913
   0.94704293  0.39205637  0.64046769
   0.70862547  0.42479712  0.71787702
   0.80412278  0.13928145  0.97803532
   0.55972494  0.07840462  0.91795581
   0.58209216  0.54947259  0.07761283
   0.86605658  0.68531384  0.28679924
   0.61147589  0.80337619  0.03832229
   0.83341592  0.94902775  0.35744605
   0.92053207  0.89894974  0.17520172
   0.67544442  0.84369287  0.23343931
   0.81060110  0.65528328  0.46837602
   0.55993454  0.57456096  0.40573491
   0.60928040  0.60331168  0.59076243
   0.87532840  0.69112927  0.78481313
   0.61031719  0.80911578  0.46596765
   0.90390230  0.94878090  0.84823153
   0.90818338  0.89231581  0.65788705
   0.67033919  0.88341197  0.75745631
   0.80295187  0.63327122  0.97455370
   0.54712830  0.63084779  0.88947178
   0.69100321  0.92663179  0.58019518
   0.62957183  0.90709493  0.47992942
   0.90441966  0.15492922  0.13194493
   0.76468117  0.41518442  0.36042857
   0.25982150  0.11163919  0.67458356
   0.25787545  0.68397895  0.74019542
   0.01744825  1.10105156  0.12923140
   0.18486591  0.99681944 -0.02894459
   0.63138767  0.33190683  0.87257008
   0.89854714  0.48000521  0.65907820
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758313    0.307129   -0.119451
    -0.000000    9.832866   -0.195598
    -0.000000   -0.000000   13.849908
   Si   O    H 
    32    64    10
Direct configuration=   454
   0.14723835  0.14282031 -0.02242870
   0.39713867  0.08500753  0.39201764
   0.12870470  0.38112304  0.12941248
   0.39365908  0.33079480  0.26439857
   0.12817878  0.16941600  0.48945019
   0.41188042  0.11212642  0.86818614
   0.10812566  0.41915405  0.61440576
   0.35169202  0.36581432  0.75639187
   0.13042001  0.63837746  0.00670805
   0.39318671  0.58665893  0.37470822
   0.08383100  0.88751892  0.14354939
   0.33049243  0.83500288  0.25054185
   0.14594121  0.66766050  0.49988501
   0.38408891  0.60038007  0.88592960
   0.05801501  0.92677714  0.60934141
   0.31300018  0.96686861  0.70312767
   0.64892039  0.12826242  1.01205483
   0.86573514  0.12029755  0.38786115
   0.61719528  0.40042125  0.12182795
   0.87936515  0.28295262  0.20998296
   0.64712472  0.17847469  0.52634632
   0.89231006  0.10632472  0.87500278
   0.59918846  0.45130123  0.63428711
   0.74913754  0.34299704  0.81197274
   0.64031841  0.65563777 -0.00872707
   0.89159937  0.59064435  0.37737841
   0.57859430  0.89694654  0.13788271
   0.83559079  0.84406646  0.26607560
   0.64063558  0.65019665  0.48598846
   0.89876069  0.59400597  0.87658734
   0.60466298  0.95844999  0.66150851
   0.84296397  0.85111228  0.76089629
   0.10797140  0.04150727  0.13018684
   0.38693969  0.17681236  0.29568912
   0.08946293  0.27243842  0.04278595
   0.35628703  0.42814074  0.35407395
   0.54611485  0.37040134  0.22483462
   0.28180317  0.34131711  0.17070334
   0.27959623  0.10794643  0.46679914
   0.03308999  0.15374300  0.38732900
   0.05418105  0.07920197  0.56476396
   0.41335750  0.22575957  0.77562157
   0.13605781  0.32135027  0.51556401
   0.38063997  0.44150851  0.86594075
   0.44415478  0.43107848  0.67191191
   0.20130958  0.35227734  0.70353413
   0.31198207  0.17890502 -0.05008727
   0.03850554  0.16935935  0.88222892
   0.10111454  0.53398550  0.09583143
   0.38216380  0.67708457  0.27816017
   0.09925140  0.78024948  0.05531346
   0.38969129  0.92206513  0.34099676
   0.41547116  0.86559996  0.14883792
   0.16824458  0.83210009  0.23956360
   0.30369556  0.63969541  0.47298353
   0.05331733  0.60876122  0.41205963
   0.14385095  0.56821933  0.59108880
   0.33045495  0.68459132  0.78807173
   0.09478355  0.82850920  0.51634745
   0.36742813  0.97005860  0.81401273
   0.44723448  0.90533762  0.64535213
   0.17128950  0.88509269  0.69469842
   0.30163765  0.63609748 -0.01845814
   0.05114835  0.63073734  0.90467362
   0.62976431  0.04641891  0.11240734
   0.79918723  0.21326193  0.29757866
   0.57551320  0.27368623  0.04517716
   0.85596433  0.43900670  0.35127357
   0.02588057  0.35649754  0.22307498
   0.77913657  0.37702110  0.14843579
   0.80212999  0.14004555  0.49283963
   0.53832818  0.10507531  0.45515734
   0.62562016  0.12919809  0.63828019
   0.82136347  0.19885383  0.78597312
   0.62413262  0.35201094  0.54026908
   0.86924837  0.44280370  0.85914632
   0.94735572  0.39275930  0.64002176
   0.70712252  0.42426084  0.71871928
   0.80502857  0.13888625  0.97785541
   0.55911081  0.07838039  0.91719204
   0.58322432  0.54898852  0.07665762
   0.86648223  0.68547053  0.28687632
   0.61040142  0.80324516  0.03775907
   0.83245456  0.94982095  0.35783490
   0.92178715  0.89822460  0.17617804
   0.67490042  0.84343308  0.23376722
   0.80897017  0.65499945  0.46939830
   0.55772943  0.57532983  0.40598931
   0.61005326  0.60071970  0.59107852
   0.87473712  0.69171431  0.78573894
   0.61004616  0.80927154  0.46609804
   0.90419804  0.94875451  0.85016612
   0.91037809  0.89340590  0.65608180
   0.67019550  0.88470042  0.75763568
   0.80235630  0.63432452  0.97323408
   0.54799414  0.63072723  0.88855666
   0.68889308  0.92486821  0.58411055
   0.63083823  0.90814309  0.48403467
   0.90058105  0.16044610  0.13019221
   0.76481422  0.41197472  0.35969036
   0.26552290  0.10267854  0.67320727
   0.26101304  0.68117229  0.73764658
   0.02091821  1.09591707  0.12625199
   0.18957067  0.99707563 -0.02697735
   0.62993821  0.33358295  0.87314434
   0.89718404  0.48400248  0.66087118
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.760745    0.309703   -0.122904
    -0.000000    9.832930   -0.199289
    -0.000000   -0.000000   13.849957
   Si   O    H 
    32    64    10
Direct configuration=   455
   0.14701719  0.14144067 -0.02235348
   0.39661293  0.08313536  0.39205180
   0.12919960  0.37980111  0.12946460
   0.39380300  0.33003331  0.26359910
   0.12825046  0.16847441  0.48866974
   0.41264937  0.11301611  0.86723272
   0.10863600  0.41859830  0.61440843
   0.35096428  0.36751445  0.75617350
   0.13064314  0.63862068  0.00657594
   0.39288608  0.58670683  0.37500213
   0.08141682  0.88778902  0.14425855
   0.32964520  0.83528752  0.25035240
   0.14478425  0.66744356  0.49909338
   0.38571888  0.59862213  0.88676138
   0.05780145  0.92799223  0.60841171
   0.31526520  0.96695466  0.70249038
   0.64944331  0.12817533  1.01183137
   0.86526812  0.11876687  0.38816945
   0.61728000  0.40071354  0.12104521
   0.87892919  0.28367252  0.20957781
   0.64773211  0.17926507  0.52620566
   0.89432733  0.10780452  0.87364541
   0.59887696  0.45039617  0.63406754
   0.75073266  0.34417140  0.81280942
   0.63930034  0.65465242 -0.00890585
   0.89103780  0.59170609  0.37738352
   0.57858828  0.89693671  0.13866107
   0.83543299  0.84274893  0.26511640
   0.64020451  0.65030628  0.48503088
   0.89917187  0.59560330  0.87647246
   0.60358802  0.95800437  0.66193408
   0.84190931  0.85135233  0.75963519
   0.10674270  0.04192124  0.13001385
   0.38638752  0.17550523  0.29456621
   0.08828396  0.27152214  0.04278740
   0.35584282  0.42774515  0.35576447
   0.54474391  0.37113937  0.22586409
   0.28046308  0.33969431  0.17167710
   0.27941378  0.10933077  0.46621447
   0.03399430  0.15338203  0.38718700
   0.05438025  0.07993023  0.56523196
   0.41390212  0.22537231  0.77663894
   0.13602109  0.32236205  0.51515091
   0.38017258  0.44098178  0.86611811
   0.44517995  0.43013267  0.67155849
   0.20199386  0.35256730  0.70297448
   0.30933050  0.17887048 -0.05115222
   0.03863134  0.16975513  0.88257316
   0.10012096  0.53434070  0.09475609
   0.38046656  0.67707179  0.27861325
   0.09783041  0.78003930  0.05558099
   0.38928840  0.92348674  0.34050464
   0.41489761  0.86665897  0.15052778
   0.16828604  0.83323887  0.24025239
   0.30436631  0.63903005  0.47289985
   0.05113799  0.60783782  0.41156362
   0.14464745  0.56940139  0.59143039
   0.33076112  0.68284824  0.78803375
   0.09599188  0.82801678  0.51762592
   0.36664746  0.97137958  0.81401601
   0.44736437  0.90477020  0.64616175
   0.17263642  0.88481034  0.69531825
   0.30189689  0.63641726 -0.01910120
   0.05318096  0.63105420  0.90482094
   0.62836364  0.04715431  0.11296739
   0.80025087  0.21226388  0.29768026
   0.57516403  0.27268514  0.04504655
   0.85550446  0.43885394  0.35260656
   0.02512937  0.35828255  0.22214592
   0.77889088  0.37779266  0.14837494
   0.80191687  0.13953410  0.49247909
   0.53854336  0.10584160  0.45520220
   0.62467334  0.13042838  0.63754475
   0.82137302  0.19767257  0.78838804
   0.62409147  0.35189907  0.54066698
   0.86936170  0.44183279  0.85863996
   0.94761444  0.39379391  0.63897929
   0.70554825  0.42386321  0.71873232
   0.80600011  0.13817490  0.97694720
   0.55867719  0.07892321  0.91611033
   0.58462878  0.54911901  0.07589470
   0.86726385  0.68580277  0.28653146
   0.60886784  0.80253415  0.03724537
   0.83210711  0.95142115  0.35850103
   0.92286524  0.89672063  0.17616907
   0.67459312  0.84434803  0.23344825
   0.80773192  0.65452420  0.47026563
   0.55400688  0.57610910  0.40513412
   0.61031184  0.59917103  0.59200428
   0.87390864  0.69203735  0.78604666
   0.60920474  0.80936032  0.46632147
   0.90351969  0.94814816  0.85174713
   0.91121219  0.89437292  0.65462600
   0.67134777  0.88614368  0.75738443
   0.80188791  0.63504963  0.97215524
   0.54834738  0.63066685  0.88772714
   0.69248059  0.91640085  0.58366647
   0.63128732  0.89712363  0.48447859
   0.89874353  0.17078994  0.13390327
   0.76190781  0.40659666  0.35857090
   0.27310143  0.09578246  0.66881945
   0.25907045  0.67771815  0.73535230
   0.02140581  1.09408691  0.12581281
   0.19106705  0.99145346 -0.02343672
   0.62695081  0.33214621  0.87314531
   0.90160936  0.47995579  0.66048753
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.762885    0.312338   -0.125851
    -0.000000    9.833358   -0.202944
    -0.000000   -0.000000   13.849749
   Si   O    H 
    32    64    10
Direct configuration=   456
   0.14729810  0.13956520 -0.02276975
   0.39677224  0.08017848  0.39149543
   0.13008280  0.37818940  0.13005460
   0.39362299  0.32975407  0.26271963
   0.12807818  0.16807518  0.48761876
   0.41258598  0.11376043  0.86634242
   0.10912784  0.41763595  0.61480664
   0.34984417  0.36922875  0.75604039
   0.13149440  0.63873327  0.00681027
   0.39243276  0.58666344  0.37563746
   0.07953111  0.88813225  0.14484479
   0.32995006  0.83541149  0.25012296
   0.14317071  0.66741607  0.49834009
   0.38716586  0.59704744  0.88739570
   0.05701787  0.92911723  0.60784953
   0.31698789  0.96686010  0.70188027
   0.65015932  0.12828480  1.01169898
   0.86478114  0.11655150  0.38800577
   0.61778521  0.40108809  0.12011943
   0.87925741  0.28385426  0.20869455
   0.64761318  0.18030263  0.52617301
   0.89630039  0.10957980  0.87263851
   0.59773580  0.44941947  0.63358362
   0.75228838  0.34499379  0.81342833
   0.63750531  0.65337999 -0.00901073
   0.89080635  0.59240143  0.37720466
   0.57891635  0.89603517  0.13936694
   0.83492662  0.84183040  0.26434493
   0.64048367  0.65071836  0.48453160
   0.89950271  0.59811182  0.87685442
   0.60233736  0.95694050  0.66254176
   0.84064413  0.85108699  0.75893418
   0.10573127  0.04288112  0.12962016
   0.38568224  0.17387911  0.29350292
   0.08720457  0.27146557  0.04241954
   0.35491348  0.42781367  0.35723333
   0.54373178  0.37227762  0.22693030
   0.27972117  0.33794968  0.17258966
   0.27864621  0.11007672  0.46581039
   0.03490061  0.15311125  0.38716198
   0.05498046  0.07920632  0.56633855
   0.41476732  0.22472763  0.77813382
   0.13651102  0.32454171  0.51506072
   0.37902536  0.44107458  0.86605733
   0.44599772  0.42943329  0.67127562
   0.20288708  0.35256425  0.70280851
   0.30648981  0.17872810 -0.05191716
   0.04007873  0.17116605  0.88326857
   0.09892360  0.53515636  0.09364448
   0.37808307  0.67710348  0.27982929
   0.09671224  0.78049055  0.05656767
   0.38899332  0.92590774  0.33989318
   0.41420188  0.86750444  0.15290964
   0.16824393  0.83472993  0.24076115
   0.30483278  0.63910617  0.47290362
   0.04989857  0.60742166  0.41152359
   0.14523553  0.57008659  0.59176286
   0.33151269  0.68160793  0.78789511
   0.09690048  0.82665231  0.51849213
   0.36635801  0.97261865  0.81414461
   0.44833910  0.90481423  0.64666204
   0.17342043  0.88365522  0.69548040
   0.30208599  0.63655012 -0.01920672
   0.05556561  0.63167068  0.90524041
   0.62620288  0.04791124  0.11340745
   0.80141727  0.21099174  0.29794465
   0.57504304  0.27163316  0.04517414
   0.85534215  0.43844082  0.35367976
   0.02458270  0.35993045  0.22094687
   0.77852670  0.37986523  0.14813221
   0.80209749  0.13931922  0.49222330
   0.53912651  0.10711531  0.45553108
   0.62372780  0.13077271  0.63619982
   0.82206985  0.19612240  0.79030602
   0.62457895  0.35117813  0.54072491
   0.86935493  0.44025445  0.85816660
   0.94833676  0.39455103  0.63881167
   0.70498921  0.42348279  0.71918483
   0.80680555  0.13739131  0.97583272
   0.55825742  0.07911122  0.91472509
   0.58624812  0.54872482  0.07461006
   0.86760774  0.68652190  0.28591779
   0.60849488  0.80193131  0.03696232
   0.83175452  0.95331729  0.35854668
   0.92396076  0.89444281  0.17659163
   0.67406317  0.84472991  0.23325256
   0.80646903  0.65393452  0.47055051
   0.55056020  0.57669278  0.40350326
   0.61166819  0.59753454  0.59300696
   0.87289847  0.69275436  0.78523947
   0.60871117  0.80871319  0.46607890
   0.90260151  0.94692821  0.85265789
   0.91215117  0.89502833  0.65322221
   0.67265085  0.88768173  0.75687682
   0.80124744  0.63575824  0.97061053
   0.54898219  0.63132049  0.88704012
   0.69631028  0.90724433  0.58236343
   0.63180843  0.89185415  0.48718741
   0.89738334  0.18080705  0.13991547
   0.76091791  0.40302097  0.36013208
   0.27907285  0.09502105  0.66506335
   0.26158629  0.67682402  0.73725704
   0.01465174  1.09655505  0.12801062
   0.18531269  0.98861911 -0.01939473
   0.62811693  0.33070504  0.87219402
   0.90931855  0.47279579  0.65891005
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.764980    0.314357   -0.128868
    -0.000000    9.833634   -0.206601
    -0.000000   -0.000000   13.849883
   Si   O    H 
    32    64    10
Direct configuration=   457
   0.14782560  0.13750386 -0.02280277
   0.39723092  0.07744712  0.39078543
   0.13100003  0.37668305  0.13040539
   0.39380366  0.32944720  0.26163187
   0.12848192  0.16703122  0.48643685
   0.41203055  0.11434176  0.86550428
   0.10922214  0.41617798  0.61503387
   0.34881558  0.37135832  0.75621499
   0.13279943  0.63865384  0.00693051
   0.39173275  0.58560487  0.37583210
   0.07737173  0.88800279  0.14532449
   0.33041407  0.83545380  0.25056160
   0.14231102  0.66717526  0.49765054
   0.38885155  0.59574878  0.88788821
   0.05624479  0.93026518  0.60703893
   0.31825889  0.96682267  0.70173998
   0.65116974  0.12849704  1.01149722
   0.86437506  0.11437735  0.38732779
   0.61851422  0.40134737  0.11940697
   0.87925660  0.28353059  0.20801172
   0.64756766  0.18136104  0.52651248
   0.89717900  0.11051797  0.87189852
   0.59713119  0.44808583  0.63268176
   0.75422167  0.34579772  0.81419201
   0.63594285  0.65185708 -0.00888979
   0.89011219  0.59343264  0.37697779
   0.57999525  0.89545695  0.13984981
   0.83440187  0.84122204  0.26398707
   0.64146323  0.65112449  0.48386833
   0.89934881  0.59970332  0.87735825
   0.60163199  0.95631083  0.66308723
   0.83979187  0.85072352  0.75759760
   0.10513107  0.04387489  0.12921213
   0.38537856  0.17286328  0.29231835
   0.08675289  0.27135505  0.04243710
   0.35369219  0.42759287  0.35852210
   0.54276539  0.37416806  0.22825700
   0.27946454  0.33690585  0.17337464
   0.27727928  0.11127964  0.46601884
   0.03463770  0.15290183  0.38687479
   0.05606651  0.07861484  0.56748142
   0.41585300  0.22343400  0.77928858
   0.13722456  0.32651410  0.51533860
   0.37778961  0.44078363  0.86581558
   0.44631956  0.42943664  0.67126274
   0.20385222  0.35254574  0.70255652
   0.30443115  0.17833369 -0.05234024
   0.04273229  0.17207019  0.88441331
   0.09782980  0.53651185  0.09256053
   0.37633754  0.67820077  0.28087519
   0.09546382  0.78133041  0.05784951
   0.38867559  0.92822777  0.33912755
   0.41401678  0.86804990  0.15509853
   0.16863847  0.83617339  0.24114400
   0.30507697  0.63906477  0.47257247
   0.04858962  0.60695739  0.41170192
   0.14518660  0.57149567  0.59197325
   0.33248360  0.67975089  0.78792387
   0.09731429  0.82460749  0.51910561
   0.36591426  0.97481524  0.81455554
   0.44984324  0.90439348  0.64695754
   0.17354019  0.88247306  0.69515942
   0.30210357  0.63742925 -0.01843444
   0.05769305  0.63231176  0.90542082
   0.62446080  0.04878763  0.11375454
   0.80305875  0.21073432  0.29855902
   0.57423855  0.27097710  0.04558092
   0.85518199  0.43763472  0.35475494
   0.02436115  0.36140839  0.21958281
   0.77823696  0.38245356  0.14778311
   0.80249308  0.13985074  0.49223518
   0.53962947  0.10847337  0.45596403
   0.62262788  0.13079890  0.63531890
   0.82255299  0.19430347  0.79140036
   0.62570537  0.34995550  0.54077826
   0.86938900  0.43990536  0.85804812
   0.94931110  0.39446187  0.63826658
   0.70456465  0.42327856  0.71893315
   0.80731634  0.13597424  0.97472086
   0.55744540  0.07918731  0.91384629
   0.58753699  0.54860403  0.07316616
   0.86791359  0.68759571  0.28558303
   0.60794120  0.80186636  0.03677835
   0.83138975  0.95509979  0.35861444
   0.92461288  0.89267885  0.17675761
   0.67295430  0.84586790  0.23255621
   0.80587023  0.65420513  0.47042604
   0.54856185  0.57713361  0.40165967
   0.61320225  0.59639650  0.59395536
   0.87295582  0.69361719  0.78446282
   0.60746345  0.80722869  0.46489829
   0.90192996  0.94598833  0.85320631
   0.91281491  0.89475991  0.65225630
   0.67340953  0.88873131  0.75663710
   0.80053536  0.63646326  0.96953468
   0.54968483  0.63203514  0.88674412
   0.69858829  0.89630332  0.58169766
   0.63700898  0.90184835  0.49212180
   0.89375891  0.18200962  0.13971385
   0.76205081  0.40508317  0.36383730
   0.28030078  0.09445103  0.65903791
   0.26398947  0.67596860  0.73904376
   0.01030311  1.10418660  0.13281811
   0.17568077  0.98655914 -0.01686118
   0.62913281  0.32734321  0.87021891
   0.90407011  0.48842749  0.66317031
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.767377    0.316838   -0.131790
    -0.000000    9.833582   -0.210683
    -0.000000   -0.000000   13.849914
   Si   O    H 
    32    64    10
Direct configuration=   458
   0.14811165  0.13544745 -0.02278806
   0.39847274  0.07537457  0.39029240
   0.13184537  0.37551133  0.13020422
   0.39407210  0.32856735  0.26090616
   0.12930122  0.16559674  0.48534687
   0.41135138  0.11556617  0.86520058
   0.10918970  0.41485243  0.61490936
   0.34838077  0.37327291  0.75660768
   0.13458872  0.63845440  0.00732181
   0.39110789  0.58483932  0.37579521
   0.07587415  0.88695768  0.14583354
   0.33143317  0.83511402  0.25106714
   0.14138812  0.66687957  0.49697797
   0.39034920  0.59580567  0.88797059
   0.05544773  0.93053061  0.60652367
   0.31946370  0.96662815  0.70168383
   0.65089819  0.12860663  1.01109933
   0.86385681  0.11207484  0.38661786
   0.61860330  0.40131022  0.11946887
   0.87928382  0.28373748  0.20752725
   0.64731925  0.18230099  0.52683954
   0.89659283  0.11162486  0.87114425
   0.59647676  0.44689240  0.63189584
   0.75607474  0.34624426  0.81460576
   0.63470215  0.65060638 -0.00853258
   0.88965116  0.59461460  0.37711831
   0.58160708  0.89500436  0.14034721
   0.83348505  0.84143883  0.26346433
   0.64246458  0.65197885  0.48351522
   0.89870552  0.60147774  0.87777723
   0.60203897  0.95562293  0.66300722
   0.83965900  0.85025510  0.75675263
   0.10354136  0.04539874  0.12864600
   0.38586819  0.17117398  0.29166460
   0.08728535  0.27124889  0.04280024
   0.35242457  0.42638057  0.36020105
   0.54230949  0.37665885  0.22893266
   0.27898595  0.33629948  0.17420249
   0.27644615  0.11170083  0.46607769
   0.03448370  0.15217377  0.38653168
   0.05604187  0.07856622  0.56879677
   0.41538489  0.22216846  0.78037658
   0.13765790  0.32827045  0.51593347
   0.37668723  0.43907525  0.86555606
   0.44709130  0.42952090  0.67174491
   0.20448994  0.35344497  0.70224489
   0.30273254  0.17870241 -0.05339732
   0.04565848  0.17187267  0.88552304
   0.09761977  0.53776350  0.09167702
   0.37469009  0.67820717  0.28183876
   0.09520762  0.78262731  0.05901625
   0.38867280  0.93106347  0.33991337
   0.41439474  0.86878087  0.15712996
   0.16857072  0.83832898  0.24125629
   0.30515693  0.63942368  0.47184360
   0.04774457  0.60684652  0.41222647
   0.14429815  0.57309579  0.59214879
   0.33439759  0.67796686  0.78821592
   0.09729898  0.82274929  0.52007261
   0.36616637  0.97687406  0.81470733
   0.45223008  0.90448816  0.64715568
   0.17352430  0.88153654  0.69510000
   0.30232271  0.63892831 -0.01756768
   0.05963434  0.63225209  0.90568387
   0.62305734  0.04922732  0.11406714
   0.80513507  0.21005259  0.29925441
   0.57389724  0.27109265  0.04589984
   0.85587230  0.43800246  0.35555572
   0.02504795  0.36272582  0.21876921
   0.77859446  0.38470485  0.14725231
   0.80270710  0.14034951  0.49279598
   0.54062383  0.10932787  0.45621898
   0.62120746  0.13016390  0.63453918
   0.82260474  0.19324496  0.79132826
   0.62658169  0.34875774  0.54084140
   0.87032972  0.44042880  0.85781142
   0.94965340  0.39565894  0.63849072
   0.70345960  0.42397222  0.71879665
   0.80740648  0.13500383  0.97417868
   0.55591432  0.07930408  0.91375331
   0.58798343  0.54834296  0.07181928
   0.86797648  0.68761964  0.28528149
   0.60716569  0.80189502  0.03664897
   0.83172938  0.95589709  0.35877359
   0.92482504  0.89075485  0.17692224
   0.67233611  0.84665744  0.23223616
   0.80525914  0.65298308  0.46978019
   0.54757739  0.57723026  0.40096559
   0.61512147  0.59629725  0.59405695
   0.87325355  0.69526992  0.78344726
   0.60621185  0.80654394  0.46403512
   0.90128485  0.94406133  0.85304846
   0.91234043  0.89445596  0.65168126
   0.67484463  0.88989355  0.75626562
   0.79940781  0.63681096  0.96863281
   0.55017526  0.63289503  0.88675252
   0.69291870  0.88938506  0.58138505
   0.64364496  0.89936812  0.49415840
   0.89421985  0.17806438  0.13487417
   0.76388599  0.40593452  0.36666781
   0.27851316  0.09506017  0.65118191
   0.25888954  0.67411951  0.74195677
   0.01591372  1.10953538  0.13935289
   0.16127436  0.98815072 -0.01584549
   0.63202921  0.32581417  0.87020961
   0.90622516  0.49116178  0.66475270
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.769896    0.319223   -0.134505
    -0.000000    9.833572   -0.215066
    -0.000000   -0.000000   13.849744
   Si   O    H 
    32    64    10
Direct configuration=   459
   0.14910924  0.13355570 -0.02336113
   0.39961908  0.07364210  0.39009241
   0.13266374  0.37494454  0.12941963
   0.39359936  0.32786173  0.26057459
   0.12934750  0.16475747  0.48423902
   0.41018648  0.11684429  0.86510901
   0.10973053  0.41395371  0.61434744
   0.34794610  0.37471793  0.75727624
   0.13664400  0.63804505  0.00779937
   0.38992742  0.58441485  0.37574559
   0.07457953  0.88622201  0.14607075
   0.33247784  0.83458967  0.25175020
   0.14119212  0.66589381  0.49632223
   0.39183315  0.59596962  0.88802217
   0.05514908  0.93066417  0.60610659
   0.32040412  0.96624828  0.70164292
   0.64988694  0.12873491  1.01080413
   0.86353945  0.10993272  0.38597954
   0.61873835  0.40150189  0.11977464
   0.87923445  0.28359124  0.20726609
   0.64712302  0.18340000  0.52707334
   0.89623057  0.11173752  0.87108240
   0.59603390  0.44596503  0.63127786
   0.75731334  0.34703244  0.81495402
   0.63382649  0.64984212 -0.00825598
   0.88927801  0.59609690  0.37780720
   0.58368565  0.89429812  0.14057052
   0.83244235  0.84245327  0.26247668
   0.64308633  0.65288719  0.48334204
   0.89823616  0.60326504  0.87772098
   0.60285595  0.95518035  0.66229274
   0.83949550  0.85019802  0.75657874
   0.10162014  0.04762089  0.12861738
   0.38572605  0.16972985  0.29176771
   0.08898496  0.27085556  0.04307793
   0.35082089  0.42444994  0.36083908
   0.54164039  0.37807934  0.22854673
   0.27897136  0.33601865  0.17504093
   0.27637708  0.11137291  0.46614393
   0.03436280  0.15172433  0.38679933
   0.05627114  0.07824372  0.57075822
   0.41403981  0.22148015  0.78124674
   0.13746714  0.32980498  0.51620014
   0.37490063  0.43775519  0.86500798
   0.44675500  0.42878993  0.67227093
   0.20600815  0.35428787  0.70218998
   0.30108934  0.17903185 -0.05509468
   0.04805062  0.17132859  0.88705616
   0.09777152  0.53817076  0.09097843
   0.37303456  0.67840993  0.28265197
   0.09393720  0.78293189  0.05991760
   0.38829421  0.93347763  0.34067944
   0.41451942  0.87032215  0.15893939
   0.16853819  0.84030738  0.24096058
   0.30525248  0.64063527  0.47061779
   0.04746213  0.60674230  0.41262395
   0.14367915  0.57369109  0.59297147
   0.33673756  0.67648010  0.78851015
   0.09669168  0.82146470  0.52113904
   0.36655226  0.97945097  0.81528383
   0.45485784  0.90402913  0.64720211
   0.17344946  0.88015532  0.69532455
   0.30227553  0.63986886 -0.01745489
   0.06039794  0.63231248  0.90572098
   0.62223346  0.04938745  0.11410533
   0.80778242  0.20933347  0.29949480
   0.57392377  0.27193492  0.04611729
   0.85634292  0.43842616  0.35643407
   0.02473885  0.36396926  0.21824053
   0.77773091  0.38719411  0.14677256
   0.80226283  0.14041682  0.49338184
   0.54214202  0.10944850  0.45628596
   0.61960676  0.12900765  0.63377347
   0.82238146  0.19242065  0.79027091
   0.62736208  0.34646558  0.54005204
   0.87101244  0.44137176  0.85764978
   0.94858851  0.39807402  0.63871837
   0.70221568  0.42452719  0.71860947
   0.80707691  0.13369581  0.97354874
   0.55577669  0.07956467  0.91434639
   0.58808831  0.54729959  0.07093962
   0.86827747  0.68719233  0.28518745
   0.60504772  0.80214569  0.03678613
   0.83286906  0.95624084  0.35898296
   0.92347565  0.88921322  0.17713821
   0.67094672  0.84770136  0.23198782
   0.80473071  0.65214340  0.46892356
   0.54796952  0.57739726  0.40075331
   0.61653694  0.59766852  0.59399758
   0.87333873  0.69675156  0.78219051
   0.60481745  0.80617529  0.46302910
   0.90003119  0.94297834  0.85328376
   0.91158514  0.89446810  0.65104055
   0.67659538  0.89128660  0.75533808
   0.79868435  0.63715198  0.96773481
   0.55144360  0.63415290  0.88787501
   0.68728602  0.88920488  0.58620726
   0.64788468  0.88482126  0.49111091
   0.89863996  0.16871154  0.12854773
   0.76198727  0.40545622  0.36820767
   0.27572523  0.09489961  0.64369137
   0.25154972  0.67277010  0.74280772
   0.03056255  1.10810405  0.14289297
   0.14895165  0.98851490 -0.01433094
   0.63429017  0.32625474  0.87304629
   0.91343238  0.48097109  0.66655273
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772199    0.321618   -0.136515
    -0.000000    9.833552   -0.218960
    -0.000000   -0.000000   13.849826
   Si   O    H 
    32    64    10
Direct configuration=   460
   0.15002095  0.13227402 -0.02361137
   0.40100078  0.07303877  0.39003751
   0.13323328  0.37448455  0.12834748
   0.39327200  0.32731702  0.25984513
   0.12901501  0.16455718  0.48356738
   0.40926762  0.11819343  0.86497685
   0.11019054  0.41273286  0.61387799
   0.34839899  0.37551806  0.75738022
   0.13909792  0.63794798  0.00843204
   0.38818983  0.58393036  0.37542129
   0.07399228  0.88560528  0.14663598
   0.33292802  0.83381499  0.25243698
   0.14109938  0.66504428  0.49617032
   0.39207425  0.59656838  0.88803523
   0.05517367  0.93069653  0.60580792
   0.32071914  0.96585394  0.70174092
   0.64841213  0.12875231  1.01091878
   0.86410567  0.10861346  0.38572546
   0.61868383  0.40089769  0.12003566
   0.87943339  0.28393559  0.20693445
   0.64711581  0.18410367  0.52752510
   0.89575763  0.11134070  0.87124301
   0.59577098  0.44522595  0.63071944
   0.75772795  0.34714893  0.81496889
   0.63292160  0.64955984 -0.00816636
   0.88927240  0.59796943  0.37849246
   0.58549083  0.89427172  0.14057782
   0.83141641  0.84363219  0.26201543
   0.64369539  0.65321155  0.48281233
   0.89785990  0.60518475  0.87722803
   0.60357865  0.95526268  0.66130773
   0.83934925  0.85064038  0.75651441
   0.10132407  0.04896613  0.12881683
   0.38560028  0.16900626  0.29191996
   0.09024534  0.27005826  0.04319633
   0.34976746  0.42312025  0.36143420
   0.54087387  0.37974479  0.22787412
   0.27850856  0.33580157  0.17620405
   0.27609729  0.11071140  0.46618486
   0.03370441  0.15117014  0.38670813
   0.05683767  0.07877668  0.57210766
   0.41205528  0.22126487  0.78141400
   0.13862078  0.33056192  0.51591309
   0.37325490  0.43714611  0.86456201
   0.44595924  0.42837359  0.67273783
   0.20661456  0.35527355  0.70209529
   0.30051558  0.17949162 -0.05658218
   0.04981167  0.17064222  0.88868409
   0.09762758  0.53818043  0.09045435
   0.37101501  0.67858917  0.28306361
   0.09346101  0.78397856  0.06098772
   0.38701722  0.93522007  0.34123748
   0.41598996  0.87229972  0.16062759
   0.16844146  0.84224105  0.24104643
   0.30455300  0.64235836  0.46985850
   0.04665364  0.60666050  0.41233030
   0.14330162  0.57418496  0.59370872
   0.33792958  0.67544295  0.78831978
   0.09596342  0.82114958  0.52229416
   0.36618896  0.98152776  0.81587708
   0.45666151  0.90373169  0.64750896
   0.17260497  0.87864332  0.69556401
   0.30153100  0.64078210 -0.01743818
   0.06010739  0.63157943  0.90580803
   0.62147966  0.04922693  0.11395980
   0.81063962  0.20765932  0.29991945
   0.57391208  0.27264136  0.04595375
   0.85598148  0.43850490  0.35690027
   0.02386544  0.36456334  0.21780414
   0.77632116  0.38996952  0.14662691
   0.80229172  0.14080955  0.49465825
   0.54318866  0.10935349  0.45611202
   0.61866810  0.12830924  0.63276377
   0.82277783  0.19145386  0.78906518
   0.62794944  0.34417506  0.53936888
   0.87255087  0.44242553  0.85727228
   0.94766169  0.40022092  0.63915957
   0.70168580  0.42559552  0.71840125
   0.80687421  0.13225160  0.97284321
   0.55609275  0.07936266  0.91556763
   0.58863932  0.54640871  0.07034726
   0.86894794  0.68657118  0.28485568
   0.60371656  0.80228035  0.03700545
   0.83463558  0.95563614  0.35909270
   0.92113375  0.88748519  0.17736487
   0.67000876  0.84841864  0.23146740
   0.80482152  0.65111543  0.46806870
   0.54903262  0.57816268  0.40065602
   0.61736361  0.59900599  0.59321883
   0.87320884  0.69780566  0.78141943
   0.60307663  0.80606776  0.46146958
   0.89843656  0.94165160  0.85280838
   0.91070572  0.89415117  0.65014456
   0.67801039  0.89322626  0.75477295
   0.79881442  0.63753171  0.96732309
   0.55211318  0.63431437  0.88886647
   0.68373636  0.89154208  0.59276576
   0.65318365  0.86870399  0.48723246
   0.90167425  0.16553896  0.12455341
   0.76372461  0.40645327  0.37010046
   0.27644824  0.09016355  0.63983851
   0.24677068  0.67244647  0.74635373
   0.03424708  1.11497020  0.15184398
   0.13908965  0.98724017 -0.01382935
   0.63959712  0.32838169  0.87536851
   0.92070714  0.47415585  0.66679240
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774406    0.323981   -0.138554
    -0.000000    9.833261   -0.222655
    -0.000000   -0.000000   13.850000
   Si   O    H 
    32    64    10
Direct configuration=   461
   0.15061521  0.13162188 -0.02351147
   0.40253198  0.07394000  0.39021107
   0.13304938  0.37499711  0.12744016
   0.39281548  0.32692906  0.25917683
   0.12822955  0.16437682  0.48262088
   0.40875422  0.11874308  0.86479742
   0.11029589  0.41153360  0.61366416
   0.34917473  0.37590798  0.75793441
   0.14095827  0.63812541  0.00899852
   0.38716342  0.58369718  0.37530018
   0.07446619  0.88533907  0.14757099
   0.33308813  0.83397976  0.25332653
   0.14085283  0.66420551  0.49565997
   0.39183247  0.59696060  0.88785031
   0.05564303  0.93037109  0.60564471
   0.32042698  0.96555042  0.70155503
   0.64679170  0.12891209  1.01072980
   0.86499607  0.10794160  0.38563201
   0.61776150  0.39989061  0.11979916
   0.87957479  0.28386236  0.20601490
   0.64731488  0.18518433  0.52774544
   0.89540614  0.11057945  0.87184191
   0.59573729  0.44407314  0.63025267
   0.75768304  0.34716662  0.81425421
   0.63221102  0.65000142 -0.00799914
   0.88986352  0.59906103  0.37898713
   0.58671703  0.89447026  0.14053117
   0.82981182  0.84497920  0.26219977
   0.64443632  0.65308152  0.48211911
   0.89763266  0.60696866  0.87661088
   0.60444518  0.95580981  0.66059695
   0.83933477  0.85146410  0.75660751
   0.10233527  0.05009686  0.12927596
   0.38473286  0.16870077  0.29241377
   0.09125485  0.26946141  0.04320314
   0.34825583  0.42205283  0.36092209
   0.54008023  0.38078849  0.22678750
   0.27876994  0.33503392  0.17739754
   0.27703896  0.10921463  0.46590508
   0.03279717  0.15030632  0.38679868
   0.05691657  0.08034560  0.57268821
   0.40964269  0.22160206  0.78119451
   0.13971993  0.33006428  0.51556922
   0.37176795  0.43613512  0.86424665
   0.44506380  0.42713663  0.67322878
   0.20720465  0.35612884  0.70194077
   0.29996855  0.17970797 -0.05755558
   0.05097907  0.17047336  0.88966859
   0.09795334  0.53712410  0.09036909
   0.36910282  0.67835861  0.28336055
   0.09253295  0.78434320  0.06123168
   0.38525349  0.93617869  0.34168893
   0.41870111  0.87498545  0.16246746
   0.16916072  0.84402949  0.24018953
   0.30461039  0.64431562  0.46852488
   0.04579611  0.60632810  0.41161406
   0.14281827  0.57424087  0.59432164
   0.33819265  0.67396753  0.78811060
   0.09529043  0.82062094  0.52339940
   0.36537643  0.98242170  0.81628566
   0.45778281  0.90333369  0.64792286
   0.17205331  0.87782633  0.69531786
   0.30102006  0.64119194 -0.01744180
   0.06007299  0.63025186  0.90567547
   0.61965388  0.04872275  0.11377697
   0.81330932  0.20671859  0.30060380
   0.57447006  0.27389339  0.04618191
   0.85547351  0.43891516  0.35759213
   0.02352868  0.36509827  0.21765403
   0.77583610  0.39246339  0.14687821
   0.80243610  0.14113982  0.49560071
   0.54330536  0.10947854  0.45590818
   0.61779110  0.12674900  0.63232680
   0.82189294  0.19135418  0.78757367
   0.62867804  0.34228635  0.53856954
   0.87396245  0.44306750  0.85770552
   0.94813575  0.40167126  0.63848740
   0.70092437  0.42614409  0.71735770
   0.80653977  0.13020467  0.97241332
   0.55772615  0.07980890  0.91706320
   0.58909656  0.54512874  0.07067509
   0.87009501  0.68612314  0.28399807
   0.60237442  0.80190933  0.03690878
   0.83596637  0.95417933  0.35858339
   0.91852393  0.88674977  0.17734793
   0.67005759  0.84966313  0.23102088
   0.80452766  0.64973405  0.46791991
   0.55049012  0.57765577  0.40015428
   0.61990372  0.60043647  0.59241501
   0.87361124  0.69814274  0.78098380
   0.60037580  0.80538783  0.46020852
   0.89733806  0.94050545  0.85276733
   0.90914463  0.89356995  0.65016190
   0.68016177  0.89526298  0.75464977
   0.79879177  0.63829274  0.96755747
   0.55308635  0.63428277  0.89008179
   0.68409199  0.89015181  0.59422870
   0.67176435  0.87547283  0.49016409
   0.89974270  0.16714788  0.12448209
   0.76195791  0.41363614  0.37261948
   0.28126839  0.08181691  0.63882938
   0.25195078  0.67364248  0.75541028
   0.03251475  1.12150747  0.16064402
   0.13227045  0.98639418 -0.01691505
   0.64551372  0.32893661  0.87749948
   0.91521619  0.49135254  0.67508955
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.777015    0.326246   -0.140043
    -0.000000    9.832691   -0.226373
    -0.000000   -0.000000   13.850562
   Si   O    H 
    32    64    10
Direct configuration=   462
   0.15118112  0.13123040 -0.02337146
   0.40345817  0.07537959  0.39004058
   0.13327070  0.37575106  0.12659023
   0.39243178  0.32641823  0.25903431
   0.12775169  0.16450945  0.48187251
   0.40801770  0.11904789  0.86476217
   0.11011905  0.41054515  0.61313009
   0.35034756  0.37593861  0.75815253
   0.14295956  0.63859492  0.00951764
   0.38646273  0.58297169  0.37500932
   0.07505217  0.88548142  0.14885560
   0.33281037  0.83339411  0.25426383
   0.14065207  0.66410854  0.49536926
   0.39119137  0.59774027  0.88762610
   0.05576855  0.92969349  0.60564933
   0.32019049  0.96511256  0.70137923
   0.64528248  0.12908897  1.01068016
   0.86588617  0.10734680  0.38554843
   0.61698104  0.39897860  0.11969474
   0.87921524  0.28449644  0.20510237
   0.64725795  0.18546561  0.52780824
   0.89569573  0.10941224  0.87231570
   0.59545308  0.44329230  0.62949518
   0.75716702  0.34701936  0.81376196
   0.63191506  0.65058313 -0.00797508
   0.89088865  0.59929372  0.37910350
   0.58740715  0.89438002  0.14020024
   0.82790998  0.84592893  0.26211493
   0.64495894  0.65225277  0.48154160
   0.89733361  0.60855913  0.87577658
   0.60563631  0.95670683  0.65980029
   0.83945622  0.85263493  0.75725621
   0.10275606  0.05128915  0.12976718
   0.38381190  0.16804922  0.29238037
   0.09195987  0.26894247  0.04288639
   0.34720198  0.42081887  0.36030497
   0.53944393  0.38154673  0.22575039
   0.27921784  0.33485973  0.17849730
   0.27852505  0.10678390  0.46570900
   0.03160095  0.14885539  0.38727679
   0.05751694  0.08234353  0.57327315
   0.40782416  0.22244743  0.78096756
   0.14043421  0.32997698  0.51485477
   0.37125726  0.43533169  0.86457843
   0.44469600  0.42576538  0.67343683
   0.20786099  0.35751741  0.70173864
   0.29938882  0.18001900 -0.05836676
   0.05123642  0.16945749  0.88969219
   0.09918300  0.53586639  0.09017730
   0.36707324  0.67775706  0.28352731
   0.09206805  0.78521326  0.06171712
   0.38282148  0.93563918  0.34190574
   0.42118448  0.87736738  0.16361116
   0.17008303  0.84516464  0.23930054
   0.30410408  0.64642136  0.46663622
   0.04516160  0.60685669  0.41065772
   0.14233888  0.57323681  0.59456467
   0.33879672  0.67274892  0.78831991
   0.09448133  0.81950470  0.52384528
   0.36491801  0.98262783  0.81640698
   0.45806391  0.90251926  0.64813931
   0.17233036  0.87747206  0.69471085
   0.30056229  0.64190627 -0.01656450
   0.05954798  0.62843647  0.90511577
   0.61789881  0.04903006  0.11388036
   0.81487940  0.20588450  0.30064773
   0.57459598  0.27502750  0.04632823
   0.85480780  0.43883496  0.35842189
   0.02304709  0.36612202  0.21690813
   0.77589287  0.39425785  0.14778117
   0.80287173  0.14123300  0.49583578
   0.54248557  0.10968040  0.45533159
   0.61678714  0.12568656  0.63288976
   0.82076552  0.19214607  0.78645581
   0.62917489  0.34080881  0.53819869
   0.87547345  0.44374224  0.85810089
   0.94819307  0.40364228  0.63794629
   0.69965806  0.42593626  0.71622539
   0.80549306  0.12807174  0.97241185
   0.55881787  0.08055104  0.91855871
   0.58938311  0.54313592  0.07157385
   0.87224539  0.68556824  0.28269082
   0.60115588  0.80164352  0.03676130
   0.83637769  0.95252749  0.35825540
   0.91609277  0.88586938  0.17720357
   0.67067037  0.85109121  0.23141681
   0.80444069  0.64831121  0.46797623
   0.55300444  0.57632749  0.39937453
   0.62227172  0.60097579  0.59163278
   0.87373802  0.69793324  0.78033033
   0.59856423  0.80549008  0.45871217
   0.89612309  0.93978219  0.85223473
   0.90715381  0.89304203  0.65069625
   0.68163548  0.89690134  0.75416567
   0.79822168  0.63957814  0.96809533
   0.55285913  0.63335139  0.89130631
   0.68632485  0.88590257  0.58964701
   0.67563140  0.87231445  0.48546955
   0.89620388  0.17285868  0.13058836
   0.75559290  0.41944436  0.37419548
   0.28542012  0.07505874  0.63992640
   0.25229949  0.67605104  0.76150922
   0.03746224  1.11851816  0.16299129
   0.12797388  0.98350417 -0.02128277
   0.65260969  0.33103644  0.87898022
   0.91404694  0.50037771  0.67986791
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.779682    0.328473   -0.141864
    -0.000000    9.831897   -0.229549
    -0.000000   -0.000000   13.851612
   Si   O    H 
    32    64    10
Direct configuration=   463
   0.15175858  0.13011817 -0.02317137
   0.40377483  0.07728465  0.38917860
   0.13371918  0.37695286  0.12574327
   0.39217469  0.32558119  0.25898528
   0.12730064  0.16520555  0.48166287
   0.40799249  0.11912228  0.86517409
   0.10987835  0.40954575  0.61240469
   0.35197346  0.37538389  0.75812180
   0.14477849  0.63971642  0.00997032
   0.38593229  0.58298865  0.37514814
   0.07519688  0.88582443  0.14985689
   0.33282663  0.83298108  0.25482943
   0.14048593  0.66461495  0.49501515
   0.39071563  0.59820960  0.88697022
   0.05545853  0.92842638  0.60619442
   0.31983196  0.96506379  0.70179858
   0.64347567  0.12915033  1.01094516
   0.86682455  0.10640706  0.38586860
   0.61683130  0.39843506  0.11973702
   0.87913658  0.28572264  0.20464358
   0.64767567  0.18540334  0.52785595
   0.89596811  0.10810465  0.87245326
   0.59516702  0.44247232  0.62845391
   0.75737054  0.34712392  0.81282848
   0.63214235  0.65119356 -0.00754477
   0.89201176  0.59922825  0.37901343
   0.58739462  0.89400645  0.13942663
   0.82621875  0.84667883  0.26195910
   0.64480682  0.65156440  0.48102314
   0.89741951  0.61006704  0.87537297
   0.60687933  0.95777652  0.65887104
   0.83966152  0.85436235  0.75749465
   0.10227714  0.05157101  0.13036088
   0.38374700  0.16801126  0.29286115
   0.09203216  0.26782828  0.04298530
   0.34691700  0.42027810  0.35957990
   0.53940561  0.38169381  0.22444474
   0.27894625  0.33482841  0.17870183
   0.28042938  0.10451364  0.46562261
   0.02951766  0.14688290  0.38784200
   0.05816375  0.08487452  0.57358331
   0.40637881  0.22437009  0.78046659
   0.14103205  0.32873211  0.51400549
   0.37115934  0.43578698  0.86479425
   0.44446385  0.42472437  0.67375393
   0.20840165  0.35873615  0.70125033
   0.29901373  0.18030615 -0.05906841
   0.05094346  0.16827603  0.88904243
   0.10030818  0.53385846  0.08981458
   0.36501638  0.67724204  0.28350315
   0.09195191  0.78515207  0.06208697
   0.38107569  0.93326098  0.34184163
   0.42319124  0.87857584  0.16459335
   0.17138552  0.84620702  0.23811212
   0.30387086  0.64864787  0.46457686
   0.04410076  0.60790961  0.41029400
   0.14117802  0.57192239  0.59493274
   0.34028501  0.67180316  0.78846738
   0.09340362  0.81871699  0.52351753
   0.36350683  0.98237631  0.81660780
   0.45772828  0.90176596  0.64806859
   0.17317951  0.87709210  0.69395500
   0.30025799  0.64257747 -0.01594308
   0.05845979  0.62628819  0.90443848
   0.61636505  0.04919257  0.11449139
   0.81619919  0.20494040  0.30013482
   0.57435163  0.27685023  0.04617870
   0.85327031  0.43889380  0.35835880
   0.02301639  0.36692753  0.21604170
   0.77633738  0.39592570  0.14954322
   0.80488169  0.14156523  0.49581808
   0.54161270  0.10964846  0.45471824
   0.61617384  0.12358848  0.63389442
   0.81973018  0.19213462  0.78562701
   0.62910087  0.34030562  0.53825264
   0.87774365  0.44410935  0.85880042
   0.94772357  0.40641567  0.63789341
   0.69975807  0.42522719  0.71565638
   0.80504632  0.12533707  0.97243377
   0.55871239  0.08118656  0.92007993
   0.58963714  0.54148229  0.07246221
   0.87447330  0.68565251  0.28132766
   0.60087955  0.80170357  0.03661533
   0.83656308  0.94994185  0.35746344
   0.91402960  0.88622336  0.17714958
   0.67164272  0.85233794  0.23174771
   0.80404217  0.64665621  0.46812380
   0.55523743  0.57579092  0.39893880
   0.62378379  0.60175044  0.59108204
   0.87436699  0.69704817  0.77974056
   0.59662664  0.80579092  0.45759465
   0.89514610  0.93882477  0.85180519
   0.90523936  0.89318487  0.65173612
   0.68262716  0.89843983  0.75377233
   0.79752340  0.64051052  0.96883791
   0.55338070  0.63180275  0.89242419
   0.69105963  0.87817648  0.58189170
   0.67061203  0.86401171  0.47573014
   0.89205655  0.17657214  0.13924308
   0.75319996  0.42608598  0.37508380
   0.28925941  0.07233230  0.64014358
   0.24200365  0.67738492  0.76292114
   0.04623185  1.11428262  0.16080858
   0.12877263  0.98181428 -0.02555184
   0.65380932  0.33390345  0.88152638
   0.91912797  0.49405452  0.67831161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.782611    0.330509   -0.143654
    -0.000000    9.831237   -0.232983
    -0.000000   -0.000000   13.852706
   Si   O    H 
    32    64    10
Direct configuration=   464
   0.15197514  0.12866380 -0.02324228
   0.40379464  0.07926096  0.38819934
   0.13454464  0.37840902  0.12515191
   0.39167652  0.32440185  0.25896426
   0.12665882  0.16589781  0.48157443
   0.40804424  0.11868342  0.86582400
   0.10992186  0.40910501  0.61186904
   0.35286357  0.37486447  0.75834471
   0.14597063  0.64124224  0.01040299
   0.38583053  0.58277126  0.37564523
   0.07397784  0.88644912  0.15069117
   0.33318053  0.83252820  0.25500632
   0.14065178  0.66479529  0.49513298
   0.39053514  0.59901680  0.88621913
   0.05493327  0.92711594  0.60683813
   0.31860012  0.96499313  0.70248690
   0.64194181  0.13016915  1.01129869
   0.86778611  0.10599939  0.38619196
   0.61660096  0.39773116  0.12036234
   0.87890034  0.28726542  0.20424856
   0.64809086  0.18468739  0.52809550
   0.89620893  0.10684029  0.87232889
   0.59481328  0.44199242  0.62763157
   0.75802395  0.34660150  0.81177263
   0.63249185  0.65182865 -0.00711640
   0.89321415  0.59934717  0.37889373
   0.58686761  0.89373685  0.13830024
   0.82423128  0.84711532  0.26208533
   0.64436607  0.65028836  0.48077187
   0.89784536  0.61080723  0.87508023
   0.60826757  0.95918092  0.65779947
   0.84027252  0.85602500  0.75797193
   0.10192104  0.05043329  0.13061314
   0.38303535  0.16865225  0.29389612
   0.09185006  0.26554696  0.04237622
   0.34648347  0.42044291  0.35823550
   0.53996095  0.38160379  0.22319214
   0.27896982  0.33405280  0.17865908
   0.28266449  0.10285794  0.46532564
   0.02801603  0.14453213  0.38838076
   0.05939500  0.08694137  0.57376332
   0.40551411  0.22559735  0.77973885
   0.14147129  0.32716762  0.51280860
   0.37083894  0.43740166  0.86528244
   0.44527696  0.42451160  0.67400558
   0.20830012  0.35937847  0.70048417
   0.29812943  0.18010928 -0.05978917
   0.04983564  0.16658444  0.88832924
   0.10156466  0.53201427  0.08953799
   0.36400633  0.67786007  0.28308694
   0.09233005  0.78519382  0.06206084
   0.37930757  0.93100394  0.34210301
   0.42454630  0.87997547  0.16515687
   0.17244558  0.84733697  0.23758347
   0.30318736  0.65027334  0.46206863
   0.04450039  0.60852412  0.40917076
   0.14055931  0.57057428  0.59542918
   0.34029322  0.67112546  0.78862249
   0.09288011  0.81745808  0.52275626
   0.36210516  0.98159264  0.81656225
   0.45645458  0.90093430  0.64806244
   0.17402857  0.87615716  0.69336747
   0.30044044  0.64274965 -0.01492688
   0.05653356  0.62449706  0.90383042
   0.61429540  0.04986203  0.11485423
   0.81604128  0.20349397  0.29911102
   0.57424611  0.27728453  0.04605360
   0.85158040  0.43880437  0.35843560
   0.02267218  0.36747019  0.21539404
   0.77721463  0.39708160  0.15098808
   0.80689072  0.14258073  0.49560218
   0.54062436  0.10950835  0.45316771
   0.61519104  0.12127177  0.63519854
   0.81875206  0.19333386  0.78482905
   0.62891888  0.34099389  0.53784343
   0.87986325  0.44433390  0.85902130
   0.94791703  0.40907054  0.63716536
   0.69940875  0.42492104  0.71467654
   0.80418663  0.12248586  0.97273725
   0.55780942  0.08221977  0.92115349
   0.58951246  0.54093346  0.07364243
   0.87614438  0.68594263  0.28032928
   0.60026467  0.80103302  0.03661175
   0.83642109  0.94726249  0.35705516
   0.91273321  0.88693440  0.17670092
   0.67251987  0.85356140  0.23211063
   0.80396935  0.64546467  0.46843612
   0.55729387  0.57474221  0.39846073
   0.62501997  0.60156301  0.59014366
   0.87459037  0.69658018  0.77935091
   0.59436396  0.80666691  0.45701266
   0.89420572  0.93899145  0.85066917
   0.90440865  0.89350477  0.65302667
   0.68379843  0.89981504  0.75306823
   0.79616040  0.64169356  0.96920430
   0.55413543  0.62968147  0.89417667
   0.69208503  0.87447993  0.57589100
   0.66540581  0.85935054  0.46718440
   0.89385270  0.17081363  0.14308483
   0.75622488  0.43133057  0.37373732
   0.29305262  0.07745405  0.63958356
   0.24424921  0.68271724  0.76662642
   0.04271003  1.11750689  0.16326803
   0.13382685  0.98052870 -0.02814934
   0.64803591  0.34167122  0.88561608
   0.92397418  0.48194292  0.67418708
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.785212    0.331887   -0.145610
    -0.000000    9.830738   -0.236579
    -0.000000   -0.000000   13.853646
   Si   O    H 
    32    64    10
Direct configuration=   465
   0.15212108  0.12768516 -0.02302784
   0.40328066  0.08058468  0.38790274
   0.13524827  0.37978561  0.12517905
   0.39153553  0.32393779  0.25923932
   0.12663205  0.16618384  0.48137639
   0.40796638  0.11888215  0.86644514
   0.11077920  0.40847289  0.61118732
   0.35379432  0.37450856  0.75815451
   0.14662176  0.64246126  0.01066483
   0.38605857  0.58194737  0.37630889
   0.07281336  0.88707382  0.15121679
   0.33341876  0.83268011  0.25501150
   0.14114386  0.66525545  0.49482833
   0.39004745  0.60051879  0.88578586
   0.05464395  0.92579460  0.60717850
   0.31768879  0.96514688  0.70309892
   0.64096750  0.13142856  1.01187968
   0.86834157  0.10557226  0.38615639
   0.61669846  0.39629992  0.12068136
   0.87881217  0.28895286  0.20399840
   0.64892574  0.18297842  0.52829526
   0.89666521  0.10533028  0.87185504
   0.59435970  0.44231255  0.62653970
   0.75837411  0.34624851  0.81136529
   0.63268683  0.65286094 -0.00663716
   0.89455932  0.59888232  0.37800465
   0.58590150  0.89381537  0.13715061
   0.82198023  0.84732846  0.26281561
   0.64380572  0.64951206  0.48086093
   0.89816984  0.61059163  0.87461554
   0.60977372  0.95972293  0.65615151
   0.84065716  0.85773628  0.75850243
   0.10237047  0.04989691  0.13057466
   0.38269807  0.16888021  0.29450707
   0.09100642  0.26374404  0.04200410
   0.34590254  0.42049027  0.35684922
   0.54044153  0.38124319  0.22245282
   0.27790556  0.33335844  0.17846531
   0.28402572  0.10090789  0.46566579
   0.02678489  0.14213015  0.38901409
   0.06097988  0.08858422  0.57417296
   0.40572433  0.22642687  0.77875459
   0.14199032  0.32528728  0.51154552
   0.36992289  0.43895031  0.86576831
   0.44622021  0.42428345  0.67370270
   0.20763435  0.36050452  0.69975907
   0.29874127  0.18037596 -0.06075706
   0.04829704  0.16513019  0.88718311
   0.10283742  0.53051202  0.08966400
   0.36204982  0.67763232  0.28277663
   0.09296652  0.78597359  0.06163057
   0.37873494  0.92819068  0.34278797
   0.42559657  0.88142145  0.16520462
   0.17228414  0.84726005  0.23675744
   0.30189617  0.65281541  0.45928428
   0.04618611  0.60961303  0.40857555
   0.14008999  0.56824402  0.59549107
   0.34071582  0.67048041  0.78830225
   0.09263252  0.81696789  0.52210239
   0.36070412  0.98065396  0.81620508
   0.45594056  0.90007328  0.64818825
   0.17504134  0.87557419  0.69256351
   0.30114657  0.64277466 -0.01429118
   0.05511377  0.62272404  0.90311751
   0.61331136  0.05011449  0.11519505
   0.81685844  0.20217053  0.29788461
   0.57446933  0.27724742  0.04558052
   0.85140433  0.43880093  0.35869099
   0.02181154  0.36805775  0.21433047
   0.77757069  0.39744413  0.15236131
   0.80855275  0.14376626  0.49532841
   0.53889352  0.10936997  0.45157828
   0.61473895  0.11955025  0.63602097
   0.81782712  0.19480095  0.78429318
   0.62888734  0.34255683  0.53728759
   0.88015955  0.44505551  0.85885179
   0.94861685  0.41041764  0.63606148
   0.69872421  0.42383160  0.71372293
   0.80295331  0.12036072  0.97330192
   0.55712590  0.08248712  0.92199618
   0.58883069  0.54169927  0.07464349
   0.87715038  0.68597785  0.27962174
   0.60041117  0.80037357  0.03692470
   0.83639363  0.94425787  0.35702266
   0.91208473  0.88818498  0.17669246
   0.67215027  0.85489784  0.23250552
   0.80405811  0.64320347  0.46945886
   0.55875832  0.57391211  0.39851207
   0.62578765  0.60080404  0.58867954
   0.87376511  0.69651293  0.77880673
   0.59148525  0.80661813  0.45653136
   0.89397353  0.93977121  0.85026417
   0.90380496  0.89360316  0.65382833
   0.68456688  0.90086929  0.75233681
   0.79531019  0.64292697  0.96923477
   0.55480667  0.62730716  0.89563217
   0.68850124  0.87649061  0.57519962
   0.67653034  0.86820884  0.46265866
   0.89733450  0.16242626  0.14273432
   0.75561019  0.43613654  0.37286193
   0.29829121  0.08177569  0.64274724
   0.24686231  0.68789712  0.77140094
   0.04003216  1.12164784  0.16433857
   0.14426571  0.98126866 -0.02782707
   0.64112811  0.35002832  0.88937378
   0.92173767  0.48627963  0.67512982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788215    0.332419   -0.147382
    -0.000000    9.830389   -0.240142
    -0.000000   -0.000000   13.854273
   Si   O    H 
    32    64    10
Direct configuration=   466
   0.15177014  0.12675958 -0.02231869
   0.40272138  0.08166827  0.38732166
   0.13520569  0.38056193  0.12547507
   0.39179913  0.32339756  0.26017796
   0.12723003  0.16638329  0.48142051
   0.40869440  0.11927123  0.86697871
   0.11143700  0.40882052  0.61101289
   0.35397961  0.37393442  0.75776287
   0.14673816  0.64416122  0.01084835
   0.38720042  0.58116256  0.37659938
   0.07193615  0.88774952  0.15149544
   0.33379966  0.83213173  0.25499351
   0.14197260  0.66530245  0.49502305
   0.38957453  0.60160733  0.88544544
   0.05355863  0.92469246  0.60743786
   0.31691472  0.96516552  0.70330908
   0.64030051  0.13271833  1.01235191
   0.86871923  0.10538106  0.38578588
   0.61638930  0.39489102  0.12127707
   0.87904965  0.28990860  0.20346266
   0.64989461  0.18062395  0.52849241
   0.89665400  0.10416342  0.87162390
   0.59422187  0.44284942  0.62561215
   0.75811432  0.34648580  0.81102470
   0.63323818  0.65386791 -0.00589848
   0.89606443  0.59806358  0.37683087
   0.58444809  0.89410241  0.13548355
   0.82045644  0.84728994  0.26350386
   0.64303899  0.64922318  0.48100893
   0.89814144  0.61014938  0.87431719
   0.61133131  0.95962880  0.65417268
   0.84080040  0.85915366  0.75910833
   0.10246314  0.04954115  0.13100591
   0.38283685  0.16887107  0.29544351
   0.09016065  0.26290686  0.04262053
   0.34565852  0.42064534  0.35531965
   0.54088539  0.38070294  0.22168090
   0.27681009  0.33357109  0.17816408
   0.28521592  0.09972806  0.46606240
   0.02587870  0.14042908  0.38955371
   0.06222024  0.08960622  0.57469794
   0.40586731  0.22678063  0.77770020
   0.14222704  0.32410282  0.51063656
   0.36782732  0.44135214  0.86683497
   0.44709465  0.42387356  0.67310872
   0.20724919  0.36083175  0.69908711
   0.29915209  0.18121565 -0.06127534
   0.04714440  0.16313257  0.88619967
   0.10474471  0.52806605  0.08942616
   0.36016500  0.67741906  0.28195654
   0.09342187  0.78577409  0.06061402
   0.37800188  0.92558290  0.34313852
   0.42595120  0.88264929  0.16520740
   0.17229177  0.84658537  0.23665076
   0.29999193  0.65509637  0.45676731
   0.04961939  0.61073407  0.40796195
   0.13961683  0.56658296  0.59495756
   0.34155507  0.66957031  0.78786166
   0.09163011  0.81703711  0.52163131
   0.35949582  0.97890217  0.81605834
   0.45537902  0.89860541  0.64824075
   0.17540340  0.87566264  0.69187083
   0.30169492  0.64220204 -0.01399879
   0.05526396  0.62141337  0.90346101
   0.61292768  0.05115885  0.11510359
   0.81659205  0.20069696  0.29665588
   0.57449644  0.27638305  0.04475283
   0.85138108  0.43891228  0.35888166
   0.02166212  0.36846968  0.21299927
   0.77766436  0.39734582  0.15297345
   0.80914853  0.14451236  0.49489390
   0.53663718  0.11005043  0.44990358
   0.61443558  0.11824110  0.63656055
   0.81703590  0.19567683  0.78369339
   0.62838941  0.34373601  0.53631533
   0.87921582  0.44594366  0.85854917
   0.94964293  0.41142866  0.63498257
   0.69813166  0.42229765  0.71357124
   0.80139768  0.11968912  0.97439272
   0.55551793  0.08237386  0.92254609
   0.58788304  0.54273569  0.07552316
   0.87769378  0.68679659  0.27905332
   0.60034490  0.80075930  0.03772399
   0.83687305  0.94240760  0.35708584
   0.91181419  0.88919349  0.17675889
   0.67076703  0.85566218  0.23299923
   0.80373034  0.64157434  0.47133704
   0.55956349  0.57302776  0.39831375
   0.62525548  0.60006274  0.58732065
   0.87356693  0.69652779  0.77811865
   0.59049614  0.80744899  0.45583484
   0.89414151  0.94062899  0.84982443
   0.90410384  0.89420193  0.65410246
   0.68494866  0.90198731  0.75193937
   0.79465478  0.64437106  0.96919910
   0.55449306  0.62482561  0.89631574
   0.68113607  0.88508235  0.57871144
   0.67231108  0.86892166  0.45674948
   0.90280837  0.15742678  0.13998557
   0.75060112  0.43946251  0.37246268
   0.30212917  0.08861759  0.64532678
   0.24509618  0.69354916  0.77333268
   0.04043053  1.11646774  0.16221816
   0.15590685  0.97768033 -0.02783067
   0.63702699  0.35556846  0.88750022
   0.91921009  0.49489038  0.67848507
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791263    0.332732   -0.148718
    -0.000000    9.830309   -0.242777
    -0.000000   -0.000000   13.855093
   Si   O    H 
    32    64    10
Direct configuration=   467
   0.15173237  0.12656201 -0.02134202
   0.40191112  0.08192532  0.38632683
   0.13516385  0.38052412  0.12559291
   0.39210120  0.32294144  0.26119390
   0.12861063  0.16668360  0.48198057
   0.40915693  0.12009984  0.86705625
   0.11263035  0.40889811  0.61048252
   0.35418455  0.37330099  0.75728334
   0.14619812  0.64499463  0.01087226
   0.38811025  0.58066770  0.37669886
   0.07168859  0.88799527  0.15158120
   0.33413290  0.83178803  0.25488612
   0.14296037  0.66459385  0.49506059
   0.38856551  0.60274630  0.88480215
   0.05246347  0.92368979  0.60775607
   0.31624972  0.96510665  0.70336919
   0.63993607  0.13350265  1.01269178
   0.86876304  0.10542932  0.38499964
   0.61588712  0.39430415  0.12228120
   0.87952112  0.29041548  0.20309484
   0.65080872  0.17739228  0.52874233
   0.89606894  0.10357977  0.87150443
   0.59382482  0.44419680  0.62507686
   0.75816074  0.34672491  0.81112516
   0.63409130  0.65425892 -0.00456498
   0.89731262  0.59716556  0.37549345
   0.58243209  0.89440338  0.13401259
   0.81947919  0.84670698  0.26431177
   0.64198620  0.64916370  0.48123602
   0.89757312  0.61003262  0.87348332
   0.61206094  0.95945424  0.65230886
   0.84036604  0.86014567  0.75945421
   0.10134462  0.04915062  0.13176302
   0.38287071  0.16869384  0.29550125
   0.08925752  0.26208364  0.04349131
   0.34670460  0.42084750  0.35332990
   0.54062258  0.37958378  0.22129812
   0.27537655  0.33398026  0.17805608
   0.28528752  0.09841906  0.46697958
   0.02422746  0.13934713  0.38906764
   0.06287619  0.09016639  0.57527548
   0.40669500  0.22622506  0.77705360
   0.14270757  0.32310995  0.51006713
   0.36583612  0.44403044  0.86769450
   0.44958122  0.42373438  0.67252013
   0.20639687  0.36152147  0.69857314
   0.29888849  0.18195717 -0.06135235
   0.04584902  0.16184308  0.88533639
   0.10685282  0.52721829  0.08846156
   0.35803448  0.67625709  0.28169597
   0.09354361  0.78598904  0.05913252
   0.37677379  0.92329864  0.34360979
   0.42615987  0.88432475  0.16534354
   0.17206096  0.84616830  0.23669220
   0.29801756  0.65707894  0.45498994
   0.05395655  0.61175731  0.40724858
   0.13998105  0.56601373  0.59396791
   0.34231876  0.67066001  0.78786417
   0.09103643  0.81837934  0.52089549
   0.35805400  0.97689964  0.81602212
   0.45400664  0.89748930  0.64836046
   0.17556314  0.87595172  0.69075991
   0.30316914  0.64164161 -0.01407282
   0.05537090  0.62043137  0.90387343
   0.61240682  0.05184464  0.11482631
   0.81541035  0.19961308  0.29521370
   0.57475098  0.27563560  0.04397152
   0.85096886  0.43919959  0.35902883
   0.02147759  0.36865449  0.21121642
   0.77843861  0.39640879  0.15385555
   0.80933683  0.14494251  0.49395248
   0.53543548  0.11178350  0.44812240
   0.61447169  0.11697694  0.63627730
   0.81622571  0.19559121  0.78347070
   0.62732376  0.34404739  0.53523995
   0.87765745  0.44642427  0.85807909
   0.95015039  0.41293809  0.63470604
   0.69859082  0.42177961  0.71336798
   0.79984671  0.11908907  0.97535607
   0.55367788  0.08122078  0.92254136
   0.58646628  0.54372765  0.07566348
   0.87792394  0.68769626  0.27887093
   0.60108508  0.80161657  0.03851106
   0.83758228  0.94128740  0.35725850
   0.91107712  0.88999251  0.17699501
   0.66891992  0.85573959  0.23257792
   0.80296834  0.64091499  0.47250089
   0.55837556  0.57077576  0.39754671
   0.62380893  0.59881450  0.58670333
   0.87365509  0.69692467  0.77761458
   0.59038407  0.80828904  0.45545689
   0.89440175  0.94226142  0.85025643
   0.90488986  0.89464784  0.65484162
   0.68418445  0.90312588  0.75102399
   0.79305328  0.64574939  0.96928860
   0.55389195  0.62242365  0.89639038
   0.67668974  0.89427787  0.58370221
   0.66174478  0.86536768  0.44952516
   0.90858888  0.15771675  0.13785791
   0.74700901  0.44703875  0.37187521
   0.30147408  0.09611165  0.64872298
   0.24603134  0.69580455  0.77498597
   0.03751638  1.10704967  0.16023382
   0.16725664  0.97723681 -0.02472702
   0.64007335  0.35785497  0.88162169
   0.92068209  0.49269754  0.67766563
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794529    0.332277   -0.149902
    -0.000000    9.829883   -0.244762
    -0.000000   -0.000000   13.855556
   Si   O    H 
    32    64    10
Direct configuration=   468
   0.15199216  0.12628590 -0.01992170
   0.40151084  0.08165741  0.38598862
   0.13499958  0.38049684  0.12559599
   0.39299754  0.32217494  0.26220171
   0.12990818  0.16633603  0.48253369
   0.40993092  0.12075642  0.86692414
   0.11462605  0.40902147  0.61001074
   0.35428559  0.37289069  0.75701708
   0.14558104  0.64540143  0.01091400
   0.38905640  0.58051387  0.37698074
   0.07135631  0.88786131  0.15115357
   0.33468000  0.83143299  0.25445025
   0.14373722  0.66342025  0.49546582
   0.38758059  0.60329824  0.88436818
   0.05241201  0.92246912  0.60849737
   0.31557596  0.96571126  0.70291112
   0.63941964  0.13393200  1.01346522
   0.86791678  0.10525592  0.38373463
   0.61580628  0.39404506  0.12276358
   0.88012448  0.29023289  0.20303455
   0.65168189  0.17377477  0.52876003
   0.89488662  0.10300405  0.87147341
   0.59335987  0.44556839  0.62450383
   0.75807943  0.34670890  0.81134204
   0.63522246  0.65406699 -0.00356260
   0.89805326  0.59644549  0.37482308
   0.58128313  0.89400607  0.13299925
   0.81883196  0.84597456  0.26512556
   0.64086527  0.64965805  0.48162787
   0.89683765  0.61014045  0.87294554
   0.61238441  0.95866634  0.65060960
   0.83972505  0.86169631  0.75925205
   0.10033215  0.04799568  0.13228683
   0.38370783  0.16897914  0.29502091
   0.08946474  0.26182088  0.04407608
   0.34822501  0.42038730  0.35211503
   0.53911704  0.37817796  0.22134510
   0.27396834  0.33489058  0.17796252
   0.28427668  0.09628804  0.46737292
   0.02359216  0.13814940  0.38849148
   0.06294735  0.08975877  0.57611756
   0.40779025  0.22496123  0.77683703
   0.14350513  0.32105071  0.50993003
   0.36441235  0.44592146  0.86834499
   0.45174245  0.42387017  0.67143560
   0.20580061  0.36045940  0.69813496
   0.29902552  0.18232714 -0.06090103
   0.04461857  0.16018360  0.88454032
   0.10827873  0.52754336  0.08704077
   0.35576837  0.67518707  0.28223752
   0.09412795  0.78592323  0.05763224
   0.37638733  0.92166532  0.34463660
   0.42738683  0.88569679  0.16528700
   0.17097878  0.84571046  0.23646657
   0.29628354  0.65919007  0.45349949
   0.05712610  0.61327090  0.40635259
   0.14036179  0.56605365  0.59269866
   0.34297606  0.67167106  0.78728122
   0.09063500  0.81964936  0.52016827
   0.35627034  0.97499340  0.81622406
   0.45231088  0.89644818  0.64848658
   0.17597437  0.87588845  0.68987032
   0.30463156  0.64185603 -0.01395347
   0.05626848  0.61984475  0.90453515
   0.61265606  0.05237466  0.11431377
   0.81413222  0.19913512  0.29349165
   0.57476089  0.27624825  0.04349336
   0.84987049  0.43989006  0.35956904
   0.02205709  0.36874297  0.20992544
   0.77837105  0.39546756  0.15461451
   0.80885068  0.14463547  0.49257390
   0.53495631  0.11323047  0.44681100
   0.61403927  0.11621495  0.63664727
   0.81587899  0.19590196  0.78305136
   0.62615338  0.34371060  0.53447959
   0.87683178  0.44622978  0.85700127
   0.94991604  0.41505467  0.63497290
   0.69959154  0.42085254  0.71287939
   0.79915300  0.11822032  0.97587636
   0.55032065  0.07929991  0.92266456
   0.58468196  0.54501118  0.07535350
   0.87796401  0.68897319  0.27899527
   0.60106452  0.80236087  0.03937707
   0.83842273  0.94039799  0.35767501
   0.91016298  0.88991302  0.17722971
   0.66691395  0.85431070  0.23160959
   0.80277110  0.63994089  0.47302000
   0.55722938  0.56895346  0.39672050
   0.62242102  0.59668217  0.58665878
   0.87401889  0.69680423  0.77803771
   0.59002649  0.80830383  0.45514504
   0.89503086  0.94309552  0.85091143
   0.90531816  0.89427528  0.65502931
   0.68355939  0.90474517  0.75036156
   0.79190329  0.64565024  0.96945519
   0.55327617  0.62040950  0.89617419
   0.68621804  0.90168825  0.58026948
   0.66027912  0.87463812  0.44074398
   0.90893696  0.16601459  0.13700258
   0.75291660  0.45486814  0.37130470
   0.29781783  0.09744843  0.65349713
   0.24677535  0.69859276  0.77781791
   0.02260161  1.11024677  0.16199145
   0.17650356  0.97773813 -0.02212568
   0.64446292  0.35900128  0.87507940
   0.92409415  0.48695193  0.67382042
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797870    0.331282   -0.151243
    -0.000000    9.829495   -0.246563
    -0.000000   -0.000000   13.856137
   Si   O    H 
    32    64    10
Direct configuration=   469
   0.15224577  0.12633225 -0.01864437
   0.40131905  0.08071794  0.38590678
   0.13422937  0.37983596  0.12566209
   0.39359127  0.32124371  0.26340226
   0.13181732  0.16542464  0.48299263
   0.41045626  0.12140725  0.86705056
   0.11603302  0.40879625  0.60961701
   0.35420240  0.37244011  0.75722511
   0.14508628  0.64563008  0.01072257
   0.38986960  0.58013492  0.37727411
   0.07115382  0.88814653  0.15099147
   0.33613492  0.83071850  0.25405546
   0.14463067  0.66228299  0.49614529
   0.38781401  0.60334806  0.88405940
   0.05248437  0.92154744  0.60912292
   0.31597314  0.96677427  0.70207148
   0.63969494  0.13410344  1.01428470
   0.86689581  0.10535145  0.38252258
   0.61624430  0.39414848  0.12298592
   0.88141780  0.28967389  0.20299705
   0.65282808  0.17072387  0.52883147
   0.89356912  0.10313233  0.87168707
   0.59370165  0.44704074  0.62389903
   0.75866872  0.34696088  0.81140865
   0.63691720  0.65374492 -0.00292802
   0.89859747  0.59555009  0.37434375
   0.58027475  0.89396180  0.13212585
   0.81886431  0.84554834  0.26600088
   0.63989540  0.65058177  0.48174143
   0.89585642  0.61006384  0.87267838
   0.61247735  0.95786350  0.64940037
   0.83907161  0.86303730  0.75915978
   0.09906918  0.04741919  0.13276071
   0.38539671  0.17014421  0.29430497
   0.08999037  0.26176496  0.04438620
   0.34983146  0.42026032  0.35111554
   0.53783712  0.37690121  0.22164025
   0.27311013  0.33538904  0.17806342
   0.28286143  0.09458841  0.46847881
   0.02297935  0.13703897  0.38799709
   0.06271449  0.08823910  0.57677352
   0.40854349  0.22398536  0.77683242
   0.14404037  0.31974212  0.51013010
   0.36374126  0.44696069  0.86873405
   0.45307599  0.42449294  0.67126629
   0.20528789  0.35935930  0.69828457
   0.29965617  0.18256000 -0.06047640
   0.04405478  0.15856837  0.88384769
   0.10901336  0.52755715  0.08551302
   0.35329094  0.67410057  0.28238654
   0.09399653  0.78654143  0.05687352
   0.37714870  0.92091234  0.34569129
   0.42796639  0.88693136  0.16488142
   0.17011363  0.84561418  0.23586290
   0.29426422  0.66148217  0.45209231
   0.05887069  0.61482004  0.40541029
   0.14029846  0.56702219  0.59100179
   0.34300294  0.67245630  0.78646877
   0.08999726  0.82043518  0.51912670
   0.35434999  0.97292959  0.81665444
   0.45088303  0.89555808  0.64833504
   0.17622441  0.87600835  0.68865385
   0.30646288  0.64157801 -0.01381518
   0.05681061  0.61957280  0.90490913
   0.61338871  0.05324159  0.11382657
   0.81230348  0.19853389  0.29129294
   0.57511140  0.27648268  0.04304820
   0.84867642  0.44087344  0.36006062
   0.02252207  0.36897980  0.20937878
   0.77709108  0.39509045  0.15511019
   0.80780277  0.14394232  0.49112971
   0.53631780  0.11450665  0.44607993
   0.61378848  0.11613602  0.63692624
   0.81611567  0.19625623  0.78383768
   0.62539467  0.34292242  0.53364436
   0.87574602  0.44620544  0.85635083
   0.94973466  0.41528594  0.63434219
   0.70028466  0.42002696  0.71162393
   0.79812569  0.11804397  0.97671278
   0.54779137  0.07728619  0.92224236
   0.58302666  0.54700658  0.07544795
   0.87867166  0.69021372  0.27981129
   0.60097614  0.80289307  0.04041313
   0.83802240  0.94052274  0.35825899
   0.90871007  0.89011037  0.17704086
   0.66517402  0.85283244  0.23063282
   0.80280669  0.63957476  0.47351114
   0.55576775  0.56759887  0.39597925
   0.62098530  0.59437200  0.58707095
   0.87439041  0.69690997  0.77832414
   0.59041150  0.80807212  0.45503990
   0.89516355  0.94399494  0.85148664
   0.90654646  0.89379426  0.65507840
   0.68237950  0.90654867  0.74981793
   0.79170442  0.64593786  0.96958367
   0.55256143  0.61879574  0.89581759
   0.69883827  0.90783608  0.57004854
   0.65583482  0.87587788  0.43241875
   0.90414184  0.17466871  0.13270858
   0.75274275  0.46100545  0.37156268
   0.29443908  0.09793138  0.65801364
   0.25032966  0.69881665  0.77738747
   0.01458581  1.11108410  0.16171193
   0.18239403  0.98109815 -0.01907977
   0.64515158  0.35941143  0.87024771
   0.92097898  0.49370426  0.67604594
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800893    0.330550   -0.152345
    -0.000000    9.829513   -0.248262
    -0.000000   -0.000000   13.856810
   Si   O    H 
    32    64    10
Direct configuration=   470
   0.15286691  0.12741553 -0.01805928
   0.40033293  0.07950228  0.38583299
   0.13334672  0.37929510  0.12557767
   0.39443726  0.32110214  0.26415130
   0.13360159  0.16416349  0.48364522
   0.41077652  0.12231069  0.86683199
   0.11700627  0.40867783  0.60908810
   0.35385217  0.37274197  0.75753875
   0.14416151  0.64550499  0.01008506
   0.39102329  0.57976052  0.37706659
   0.07075453  0.88893838  0.15102635
   0.33715391  0.83073227  0.25358678
   0.14482206  0.66175322  0.49693817
   0.38888833  0.60359999  0.88390605
   0.05308145  0.92044873  0.60963193
   0.31596356  0.96701806  0.70078929
   0.63991341  0.13395929  1.01546916
   0.86601847  0.10523587  0.38163606
   0.61681792  0.39496990  0.12300025
   0.88273424  0.28903117  0.20324543
   0.65426355  0.16849746  0.52894357
   0.89161123  0.10382546  0.87225861
   0.59468177  0.44802039  0.62311887
   0.75899900  0.34765936  0.81101410
   0.63803629  0.65303465 -0.00235828
   0.89902900  0.59507721  0.37358166
   0.57952026  0.89385664  0.13146646
   0.81934944  0.84428884  0.26636109
   0.63939667  0.65153707  0.48165399
   0.89526051  0.61007272  0.87265444
   0.61190902  0.95563102  0.64823298
   0.83848273  0.86391415  0.75893781
   0.09781934  0.04741753  0.13274436
   0.38714815  0.17114881  0.29373191
   0.09082022  0.26186111  0.04470089
   0.35195658  0.42118039  0.35019543
   0.53638487  0.37587960  0.22201760
   0.27340221  0.33648868  0.17789018
   0.28188320  0.09279329  0.46902675
   0.02369340  0.13615269  0.38763050
   0.06254833  0.08599099  0.57711277
   0.40965188  0.22322865  0.77704360
   0.14470493  0.31935079  0.51011629
   0.36267955  0.44720919  0.86898325
   0.45418717  0.42534179  0.67134727
   0.20487700  0.35823025  0.69875491
   0.30018142  0.18229615 -0.05929474
   0.04457590  0.15646591  0.88342580
   0.10947894  0.52797857  0.08374541
   0.35202839  0.67325139  0.28257734
   0.09361300  0.78759524  0.05578362
   0.37865497  0.92043897  0.34713452
   0.42880548  0.88824195  0.16464994
   0.16884943  0.84582356  0.23580109
   0.29325031  0.66402579  0.45103803
   0.06047313  0.61573891  0.40493929
   0.13921229  0.56975316  0.58883972
   0.34237541  0.67309670  0.78547731
   0.08889907  0.82151841  0.51802615
   0.35311205  0.97121331  0.81705156
   0.45036872  0.89568209  0.64851217
   0.17671736  0.87724409  0.68853093
   0.30830621  0.64131584 -0.01338382
   0.05727373  0.62004258  0.90512001
   0.61429213  0.05407339  0.11322380
   0.81022154  0.19753589  0.28924965
   0.57606878  0.27688500  0.04240321
   0.84841406  0.44183316  0.36066526
   0.02247064  0.36887422  0.20977996
   0.77532198  0.39535255  0.15543344
   0.80744675  0.14313020  0.48985939
   0.53866755  0.11538779  0.44587065
   0.61353828  0.11663299  0.63711208
   0.81702432  0.19595565  0.78494967
   0.62406550  0.34073653  0.53282489
   0.87489706  0.44582207  0.85559072
   0.95057980  0.41519524  0.63332314
   0.70113248  0.41912431  0.71130541
   0.79766622  0.11839588  0.97690546
   0.54566161  0.07551199  0.92243739
   0.58220131  0.54809459  0.07580858
   0.87972442  0.69136542  0.28103577
   0.60091795  0.80343120  0.04062579
   0.83709796  0.94155771  0.35899516
   0.90776357  0.88915711  0.17630157
   0.66257863  0.85142021  0.23004702
   0.80329193  0.63942165  0.47328305
   0.55429656  0.56678841  0.39477116
   0.61904754  0.59261465  0.58809552
   0.87394792  0.69716578  0.77848570
   0.59090980  0.80838360  0.45474303
   0.89557639  0.94451752  0.85154715
   0.90774379  0.89301025  0.65460031
   0.68042733  0.90866736  0.74930106
   0.79258843  0.64619162  0.96951194
   0.55155543  0.61665947  0.89570216
   0.71040458  0.91013684  0.55964682
   0.65202618  0.87567593  0.42340235
   0.90200939  0.17949817  0.12850486
   0.74469328  0.46341923  0.37479505
   0.28941212  0.09797991  0.66113211
   0.24764649  0.70141776  0.77445346
   0.01810147  1.10244818  0.15725744
   0.18311427  0.98095852 -0.01466930
   0.64298813  0.36069579  0.86905928
   0.91781056  0.49978096  0.67572965
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804065    0.328940   -0.152973
    -0.000000    9.829456   -0.250124
    -0.000000   -0.000000   13.857199
   Si   O    H 
    32    64    10
Direct configuration=   471
   0.15404532  0.12831222 -0.01777670
   0.39879152  0.07787105  0.38558600
   0.13183480  0.37962291  0.12588045
   0.39519812  0.32121614  0.26464035
   0.13499746  0.16182759  0.48409410
   0.41095348  0.12235485  0.86685861
   0.11758252  0.40885050  0.60882689
   0.35296380  0.37266801  0.75754319
   0.14291821  0.64478120  0.00945906
   0.39229589  0.57902240  0.37671750
   0.07040382  0.88969728  0.15090767
   0.33760405  0.83104282  0.25336600
   0.14501768  0.66178110  0.49811717
   0.38998175  0.60336554  0.88410279
   0.05345670  0.91973192  0.61005207
   0.31547344  0.96724884  0.69954002
   0.63966489  0.13420113  1.01612086
   0.86491483  0.10558668  0.38090568
   0.61657762  0.39604624  0.12321630
   0.88430554  0.28824739  0.20339722
   0.65469419  0.16693578  0.52876537
   0.88951529  0.10481659  0.87274390
   0.59566687  0.44813688  0.62228292
   0.75922819  0.34891432  0.81085337
   0.63860614  0.65233317 -0.00215706
   0.89911762  0.59505636  0.37326027
   0.57905164  0.89399243  0.13108252
   0.82026806  0.84269261  0.26647850
   0.63942972  0.65290411  0.48098351
   0.89472777  0.61051989  0.87360347
   0.61161107  0.95320541  0.64661177
   0.83814895  0.86420791  0.75869598
   0.09642845  0.04761813  0.13276494
   0.38864993  0.17153591  0.29336392
   0.09221501  0.26257056  0.04471849
   0.35391184  0.42292442  0.34968390
   0.53529377  0.37452271  0.22220998
   0.27512025  0.33717664  0.17725489
   0.28107542  0.09209624  0.46953300
   0.02477312  0.13438337  0.38806733
   0.06216915  0.08397724  0.57698301
   0.41059320  0.22182994  0.77661936
   0.14568451  0.31929029  0.51002616
   0.36178487  0.44660121  0.86864313
   0.45461303  0.42654272  0.67183290
   0.20480577  0.35723067  0.69940633
   0.30091088  0.18242907 -0.05771753
   0.04491014  0.15494228  0.88310482
   0.10951836  0.52837129  0.08181185
   0.35124134  0.67095503  0.28241707
   0.09384839  0.78883898  0.05495728
   0.38017070  0.92045392  0.34828814
   0.42793655  0.88934926  0.16503389
   0.16742989  0.84589569  0.23612223
   0.29205920  0.66601534  0.45047438
   0.06095349  0.61566352  0.40484852
   0.13816907  0.57276302  0.58696671
   0.34143343  0.67463032  0.78449726
   0.08803742  0.82332627  0.51681922
   0.35169450  0.96935689  0.81733656
   0.45034024  0.89476596  0.64859080
   0.17737411  0.87792731  0.68867447
   0.30989251  0.64128596 -0.01309443
   0.05769874  0.62020951  0.90545709
   0.61547856  0.05444091  0.11307498
   0.80860652  0.19662674  0.28784671
   0.57683179  0.27829623  0.04168669
   0.84759072  0.44208118  0.36124410
   0.02200059  0.36838680  0.21037470
   0.77358106  0.39597904  0.15537751
   0.80726483  0.14189906  0.48822029
   0.54147864  0.11607420  0.44567001
   0.61294154  0.11781747  0.63756735
   0.81735537  0.19509430  0.78601929
   0.62298152  0.33801986  0.53149993
   0.87458145  0.44609736  0.85472778
   0.95133028  0.41510480  0.63267352
   0.70197310  0.41955310  0.71099025
   0.79744363  0.11931873  0.97717724
   0.54370899  0.07421931  0.92269442
   0.58140130  0.54843608  0.07600856
   0.88103331  0.69198524  0.28208725
   0.60048172  0.80343813  0.04098608
   0.83638232  0.94243530  0.35967253
   0.90717666  0.88908903  0.17526858
   0.66025236  0.84971388  0.22949065
   0.80340288  0.63884533  0.47314342
   0.55303464  0.56588465  0.39345200
   0.61739593  0.59217170  0.58865639
   0.87312794  0.69845570  0.77829036
   0.59218595  0.80906322  0.45438517
   0.89590549  0.94442234  0.85133888
   0.90826100  0.89234563  0.65469792
   0.67785498  0.91066288  0.74816461
   0.79366984  0.64712246  0.96862037
   0.55159093  0.61448507  0.89600257
   0.71349535  0.91593658  0.55900766
   0.64691223  0.86991709  0.41474446
   0.90095379  0.18536243  0.12330173
   0.74384075  0.46157371  0.37736093
   0.28502472  0.09725214  0.66032908
   0.24272720  0.70378634  0.77106885
   0.01927009  1.09462573  0.15123496
   0.18084379  0.97835947 -0.00845852
   0.63628321  0.36052935  0.87137143
   0.92241925  0.49503002  0.66943912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807452    0.326976   -0.153597
    -0.000000    9.829933   -0.252155
    -0.000000   -0.000000   13.857588
   Si   O    H 
    32    64    10
Direct configuration=   472
   0.15436378  0.12871001 -0.01811117
   0.39751556  0.07655481  0.38594272
   0.13056890  0.37985916  0.12611639
   0.39563625  0.32219215  0.26492876
   0.13601814  0.15968672  0.48478405
   0.41065793  0.12197238  0.86674985
   0.11866505  0.40939829  0.60870976
   0.35225796  0.37321898  0.75742719
   0.14214044  0.64421733  0.00870793
   0.39303224  0.57817335  0.37639403
   0.06953414  0.88940692  0.15100484
   0.33747936  0.83148059  0.25333550
   0.14533266  0.66235867  0.49862641
   0.39074396  0.60350652  0.88437729
   0.05409538  0.91970898  0.61041060
   0.31508749  0.96708871  0.69846327
   0.63861805  0.13435701  1.01715905
   0.86346658  0.10681757  0.38008668
   0.61601641  0.39691083  0.12357044
   0.88595136  0.28731823  0.20333003
   0.65471578  0.16582245  0.52865240
   0.88701073  0.10590918  0.87304352
   0.59769586  0.44716854  0.62152279
   0.75902136  0.35010602  0.81044203
   0.63864189  0.65199299 -0.00223003
   0.89955665  0.59561801  0.37329132
   0.57909491  0.89469399  0.13079051
   0.82111835  0.84145323  0.26628227
   0.63948811  0.65470617  0.48058475
   0.89436774  0.61080145  0.87448589
   0.61149113  0.95002624  0.64482207
   0.83795041  0.86413407  0.75880186
   0.09645579  0.04743749  0.13285441
   0.39002001  0.17153074  0.29268730
   0.09424251  0.26273586  0.04502509
   0.35488452  0.42442468  0.34999460
   0.53363620  0.37406309  0.22221890
   0.27643629  0.33754582  0.17690552
   0.28061911  0.09155952  0.46995970
   0.02711031  0.13305363  0.38844158
   0.06221547  0.08151864  0.57684188
   0.41151924  0.21968410  0.77575159
   0.14611839  0.32038762  0.50961880
   0.36028682  0.44609881  0.86771422
   0.45474673  0.42754310  0.67220688
   0.20501000  0.35644489  0.70005401
   0.30124519  0.18229419 -0.05644416
   0.04510266  0.15262803  0.88255872
   0.10942393  0.52919514  0.08033099
   0.35062273  0.66925023  0.28138196
   0.09467902  0.79001732  0.05465091
   0.38210866  0.92100727  0.34907490
   0.42559771  0.88986327  0.16558578
   0.16690835  0.84544635  0.23673846
   0.29144902  0.66781393  0.45068019
   0.06048833  0.61533733  0.40393533
   0.13643129  0.57458998  0.58559779
   0.34019700  0.67594252  0.78382899
   0.08648012  0.82445982  0.51604555
   0.35009091  0.96802786  0.81709620
   0.45092693  0.89448028  0.64867385
   0.17726584  0.87845217  0.68863523
   0.31138398  0.64184819 -0.01342887
   0.05767232  0.62088937  0.90588467
   0.61641579  0.05498270  0.11322940
   0.80723155  0.19579518  0.28669573
   0.57724793  0.27989847  0.04126908
   0.84563600  0.44119127  0.36208798
   0.02166214  0.36696631  0.21072215
   0.77197930  0.39667801  0.15532524
   0.80647918  0.14162546  0.48643650
   0.54415377  0.11602364  0.44510261
   0.61177265  0.11886462  0.63771614
   0.81797614  0.19326919  0.78735396
   0.62182653  0.33462910  0.52975113
   0.87509662  0.44533963  0.85418096
   0.95160065  0.41446635  0.63199239
   0.70337532  0.41953963  0.71041720
   0.79727775  0.12076411  0.97647024
   0.54250244  0.07332765  0.92247725
   0.58125271  0.54805511  0.07612822
   0.88064647  0.69206166  0.28307954
   0.60033031  0.80241008  0.04074982
   0.83585349  0.94322519  0.36018880
   0.90724479  0.88964358  0.17379029
   0.65809708  0.84792284  0.22919532
   0.80373811  0.63873094  0.47268160
   0.55226926  0.56420969  0.39247267
   0.61609158  0.59205534  0.58904300
   0.87222546  0.69952891  0.77810514
   0.59310130  0.80962937  0.45416478
   0.89635822  0.94392809  0.85145604
   0.90870335  0.89160486  0.65455985
   0.67605840  0.91184684  0.74698751
   0.79539065  0.64814702  0.96768745
   0.55193786  0.61367515  0.89670605
   0.71113697  0.92492744  0.55983375
   0.63944873  0.86290345  0.41232637
   0.89802161  0.19240172  0.11975001
   0.74937474  0.45569608  0.37922659
   0.28241814  0.09995749  0.65841047
   0.24590037  0.70469961  0.77139983
   0.00448784  1.09815229  0.14743431
   0.17595279  0.97976911 -0.00422555
   0.63178798  0.36084614  0.87274244
   0.92322745  0.49143408  0.66418667
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810686    0.324789   -0.154420
    -0.000000    9.830609   -0.253984
    -0.000000   -0.000000   13.857845
   Si   O    H 
    32    64    10
Direct configuration=   473
   0.15506173  0.12930614 -0.01880711
   0.39681738  0.07580527  0.38650443
   0.12935457  0.38014863  0.12612525
   0.39647665  0.32344518  0.26499403
   0.13660716  0.15710744  0.48500114
   0.41021585  0.12143463  0.86634693
   0.11924887  0.41007551  0.60868418
   0.35212139  0.37360258  0.75736737
   0.14159059  0.64408833  0.00799633
   0.39242984  0.57758230  0.37568364
   0.06850907  0.88951369  0.15101292
   0.33734948  0.83211472  0.25336110
   0.14524734  0.66410571  0.49868766
   0.39100693  0.60367258  0.88511711
   0.05461129  0.91999558  0.61054476
   0.31497971  0.96693795  0.69757868
   0.63790642  0.13443170  1.01748860
   0.86261515  0.10729988  0.37902200
   0.61505852  0.39781525  0.12412442
   0.88687056  0.28609162  0.20318267
   0.65440921  0.16527679  0.52848860
   0.88409626  0.10713762  0.87398913
   0.59979944  0.44521287  0.62081616
   0.75837661  0.35174167  0.80966793
   0.63852578  0.65114579 -0.00191301
   0.89999400  0.59633667  0.37356275
   0.57898434  0.89581444  0.13138058
   0.82257283  0.84022119  0.26574055
   0.63980540  0.65666143  0.48015993
   0.89377017  0.61057691  0.87532465
   0.61152323  0.94696541  0.64303381
   0.83839844  0.86371999  0.75884810
   0.09627227  0.04811660  0.13311035
   0.39150246  0.17101422  0.29148669
   0.09587415  0.26251911  0.04517452
   0.35508483  0.42575020  0.35048600
   0.53236514  0.37374833  0.22205069
   0.27734144  0.33759322  0.17615718
   0.28021449  0.09152531  0.47031989
   0.02940659  0.13247906  0.38963040
   0.06251100  0.07929063  0.57688285
   0.41202227  0.21840416  0.77488148
   0.14608048  0.32091519  0.50905563
   0.35946439  0.44530584  0.86721102
   0.45409492  0.42854568  0.67244008
   0.20496931  0.35646334  0.70048682
   0.30146509  0.18192875 -0.05468621
   0.04615856  0.15037313  0.88204572
   0.10912256  0.52979352  0.07911750
   0.35099742  0.66815561  0.28017834
   0.09373493  0.79143723  0.05388218
   0.38355931  0.92155903  0.34940098
   0.42239024  0.89050194  0.16578476
   0.16621786  0.84576247  0.23784157
   0.29084455  0.66824674  0.45094259
   0.05931901  0.61493077  0.40286060
   0.13416725  0.57530974  0.58449346
   0.33820443  0.67709184  0.78309848
   0.08498676  0.82513043  0.51507470
   0.34857336  0.96796904  0.81689276
   0.45207197  0.89479927  0.64829028
   0.17724544  0.87927966  0.68857135
   0.31258547  0.64256408 -0.01365061
   0.05740903  0.62144984  0.90601182
   0.61727011  0.05482463  0.11334987
   0.80586506  0.19533260  0.28579053
   0.57763363  0.28163290  0.04075069
   0.84372458  0.44064803  0.36286934
   0.02146943  0.36546529  0.21102963
   0.77094719  0.39752401  0.15505350
   0.80587503  0.14136664  0.48497150
   0.54743261  0.11554054  0.44448925
   0.61144232  0.12004700  0.63749826
   0.81892624  0.19179196  0.78864687
   0.62060171  0.33102546  0.52872830
   0.87541105  0.44439290  0.85335910
   0.95249447  0.41276709  0.63108154
   0.70487764  0.41966316  0.70973244
   0.79707544  0.12195604  0.97547529
   0.54192607  0.07337844  0.92238116
   0.58123098  0.54748248  0.07662343
   0.88002047  0.69140133  0.28402398
   0.60094249  0.80128232  0.03997426
   0.83588670  0.94365472  0.36032410
   0.90744834  0.89106954  0.17234219
   0.65655738  0.84622477  0.22824172
   0.80393194  0.63908810  0.47212695
   0.55210128  0.56270257  0.39239724
   0.61458218  0.59332513  0.58904104
   0.87112910  0.70067616  0.77767628
   0.59373809  0.80896118  0.45488958
   0.89641216  0.94386056  0.85105212
   0.90867700  0.89119381  0.65449862
   0.67469239  0.91270340  0.74586565
   0.79772288  0.64940487  0.96673611
   0.55198625  0.61296696  0.89800829
   0.70340885  0.92911964  0.56491876
   0.63861516  0.86214092  0.40349236
   0.89496244  0.20259919  0.11771853
   0.75028362  0.44946874  0.37953194
   0.28130482  0.10568366  0.65557082
   0.24583176  0.70681754  0.77211218
  -0.00311660  1.09950210  0.14132608
   0.17420769  0.98339353 -0.00296945
   0.63156047  0.35851465  0.87444532
   0.91928739  0.50328540  0.66464711
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813700    0.322861   -0.155325
    -0.000000    9.831149   -0.255766
    -0.000000    0.000000   13.857861
   Si   O    H 
    32    64    10
Direct configuration=   474
   0.15496411  0.13015653 -0.01975887
   0.39606251  0.07518073  0.38740134
   0.12814444  0.37956494  0.12594788
   0.39651389  0.32473454  0.26514050
   0.13660618  0.15536200  0.48506336
   0.40892189  0.12076154  0.86554449
   0.11888387  0.41144524  0.60884162
   0.35209543  0.37406272  0.75724063
   0.14138130  0.64408565  0.00755661
   0.39129114  0.57752323  0.37463603
   0.06794165  0.88953951  0.15109235
   0.33695953  0.83192949  0.25372262
   0.14508421  0.66589078  0.49789981
   0.39089468  0.60404634  0.88520213
   0.05471332  0.92035802  0.61032134
   0.31490405  0.96685972  0.69696566
   0.63719180  0.13390925  1.01733567
   0.86220557  0.10802896  0.37800682
   0.61419502  0.39837186  0.12415564
   0.88744392  0.28532011  0.20312447
   0.65394071  0.16520557  0.52863596
   0.88214338  0.10854867  0.87519481
   0.60182190  0.44268166  0.62023180
   0.75746782  0.35323703  0.80912403
   0.63763172  0.65036346 -0.00169302
   0.90010981  0.59698005  0.37456675
   0.57898716  0.89709064  0.13188798
   0.82341028  0.83957985  0.26508944
   0.63978247  0.65864040  0.47971158
   0.89354566  0.60996613  0.87618504
   0.61061384  0.94454358  0.64132432
   0.83846101  0.86309656  0.75882718
   0.09528673  0.05004872  0.13392430
   0.39223573  0.17063822  0.29101282
   0.09730938  0.26233553  0.04592152
   0.35477946  0.42667830  0.35103997
   0.53152946  0.37352703  0.22146656
   0.27833674  0.33749907  0.17524846
   0.28033668  0.09081949  0.47013053
   0.03200363  0.13099492  0.39089104
   0.06259427  0.07616954  0.57703843
   0.41222804  0.21826855  0.77425617
   0.14612325  0.32159169  0.50895496
   0.35748377  0.44477708  0.86659364
   0.45404132  0.42962147  0.67287877
   0.20472073  0.35666305  0.70112219
   0.30154159  0.18182452 -0.05290432
   0.04684402  0.14788773  0.88171072
   0.10907475  0.53049644  0.07813680
   0.35202422  0.66731393  0.27883222
   0.09259972  0.79337387  0.05402946
   0.38581028  0.92173821  0.34945731
   0.41969976  0.89062626  0.16600298
   0.16635887  0.84493464  0.23974509
   0.29057252  0.66805597  0.45139419
   0.05827337  0.61339994  0.40195411
   0.13145895  0.57590682  0.58445287
   0.33712070  0.67827029  0.78246036
   0.08356771  0.82550556  0.51426556
   0.34777996  0.96794525  0.81647876
   0.45305225  0.89488116  0.64730650
   0.17767777  0.87901770  0.68786777
   0.31371369  0.64361056 -0.01450887
   0.05711786  0.62200223  0.90611148
   0.61790731  0.05374770  0.11341175
   0.80455483  0.19543143  0.28489292
   0.57745297  0.28386255  0.04025684
   0.84211533  0.44005658  0.36379354
   0.02129955  0.36415402  0.21120485
   0.77039432  0.39839686  0.15513604
   0.80515601  0.14076380  0.48376466
   0.54988785  0.11496924  0.44407545
   0.61104935  0.12197618  0.63747600
   0.81932279  0.19097451  0.79001188
   0.62102921  0.32915825  0.52794844
   0.87582101  0.44401739  0.85271856
   0.95376297  0.41195553  0.63046594
   0.70679117  0.41992462  0.70899749
   0.79677429  0.12329768  0.97445963
   0.54188094  0.07371052  0.92277083
   0.58160910  0.54758676  0.07700476
   0.87907233  0.69065815  0.28463834
   0.60208669  0.80018647  0.03930329
   0.83563154  0.94428220  0.36058363
   0.90742957  0.89203522  0.17103805
   0.65566966  0.84546527  0.22756428
   0.80458048  0.63850369  0.47152710
   0.55242765  0.56205775  0.39216861
   0.61316103  0.59513394  0.58899615
   0.87057043  0.70066024  0.77719817
   0.59481236  0.80807292  0.45501516
   0.89680158  0.94399671  0.85079323
   0.90894908  0.89051778  0.65418581
   0.67400844  0.91335169  0.74517206
   0.79973856  0.65074183  0.96579116
   0.55220925  0.61253807  0.89868924
   0.69738670  0.92894624  0.56701275
   0.63709029  0.85853058  0.39573924
   0.89665142  0.20436956  0.11359895
   0.74203053  0.44900126  0.37945025
   0.28402897  0.10908729  0.65449401
   0.24209518  0.70978420  0.77325031
   0.00380155  1.09453027  0.13500345
   0.17264526  0.98502242 -0.00138554
   0.63672539  0.35224914  0.87506007
   0.92080711  0.50291725  0.66415273
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816901    0.320604   -0.155912
    -0.000000    9.831851   -0.257491
    -0.000000    0.000000   13.857810
   Si   O    H 
    32    64    10
Direct configuration=   475
   0.15450879  0.13090332 -0.02063153
   0.39522271  0.07461273  0.38804478
   0.12675174  0.37894192  0.12581411
   0.39569602  0.32562926  0.26466491
   0.13606222  0.15377110  0.48511856
   0.40745970  0.11957559  0.86452075
   0.11843702  0.41292828  0.60861834
   0.35264308  0.37396560  0.75689259
   0.14136914  0.64414649  0.00657040
   0.38994294  0.57811544  0.37360246
   0.06767052  0.88928241  0.15125360
   0.33670266  0.83184923  0.25430351
   0.14471171  0.66790598  0.49738028
   0.39042750  0.60466819  0.88524672
   0.05478988  0.92113211  0.61000329
   0.31460791  0.96699651  0.69640444
   0.63647827  0.13279422  1.01661009
   0.86229958  0.10819742  0.37705498
   0.61354708  0.39845276  0.12402662
   0.88671554  0.28462561  0.20325280
   0.65345302  0.16548165  0.52888515
   0.88092965  0.10997659  0.87667702
   0.60379949  0.44058413  0.61980696
   0.75590064  0.35369489  0.80854587
   0.63632815  0.65005758 -0.00135920
   0.90027451  0.59673194  0.37635108
   0.57822300  0.89850891  0.13255485
   0.82394032  0.83790925  0.26414387
   0.63929885  0.66033897  0.47932555
   0.89367665  0.60957135  0.87701386
   0.60990969  0.94263150  0.64017002
   0.83887180  0.86196896  0.75942576
   0.09437296  0.05193157  0.13459489
   0.39332671  0.16902427  0.29085263
   0.09806972  0.26271131  0.04665610
   0.35303448  0.42722151  0.35180879
   0.53084146  0.37358542  0.22091825
   0.27997894  0.33741572  0.17417028
   0.28175388  0.09012542  0.46996891
   0.03409726  0.12951122  0.39231687
   0.06374814  0.07356746  0.57758407
   0.41224569  0.21974965  0.77435983
   0.14580585  0.32175518  0.50906480
   0.35509208  0.44424556  0.86595298
   0.45397095  0.43061170  0.67318598
   0.20463137  0.35681432  0.70219190
   0.30204606  0.18140420 -0.05166426
   0.04737910  0.14564385  0.88191645
   0.10934052  0.53054108  0.07794899
   0.35392687  0.66663647  0.27739971
   0.09140966  0.79464231  0.05434625
   0.38718132  0.92156254  0.34930764
   0.41673732  0.89104737  0.16604200
   0.16749684  0.84471859  0.24138860
   0.29145871  0.66757867  0.45158222
   0.05726696  0.61208325  0.40093738
   0.12981331  0.57654015  0.58492996
   0.33617155  0.67884312  0.78286512
   0.08233097  0.82484317  0.51359224
   0.34726434  0.96802042  0.81615304
   0.45322241  0.89570713  0.64610265
   0.17811389  0.87842616  0.68733146
   0.31356725  0.64498467 -0.01527449
   0.05699243  0.62180240  0.90581543
   0.61912514  0.05302500  0.11354833
   0.80321328  0.19573178  0.28365106
   0.57727734  0.28479991  0.03981605
   0.83985984  0.43982881  0.36398019
   0.02166340  0.36283157  0.21162022
   0.77104553  0.39898198  0.15523658
   0.80406377  0.14007275  0.48278671
   0.55131517  0.11306490  0.44350923
   0.61110921  0.12381052  0.63722533
   0.81918762  0.19188880  0.79095085
   0.62096194  0.32825532  0.52801572
   0.87601899  0.44508251  0.85219566
   0.95524880  0.41216239  0.62976468
   0.70836366  0.42102159  0.70858916
   0.79613921  0.12540477  0.97388051
   0.54262570  0.07509964  0.92340747
   0.58204689  0.54691297  0.07774928
   0.87774722  0.68992814  0.28474667
   0.60312483  0.80002432  0.03961409
   0.83552462  0.94459590  0.36049805
   0.90656371  0.89335988  0.17016251
   0.65555212  0.84483055  0.22690734
   0.80504750  0.63916167  0.47070218
   0.55381258  0.56170707  0.39227315
   0.61339054  0.59678718  0.58846181
   0.87066711  0.70030095  0.77667630
   0.59572099  0.80790362  0.45526224
   0.89723835  0.94498417  0.85042902
   0.90956411  0.88994229  0.65405759
   0.67423975  0.91391759  0.74641303
   0.80048218  0.65198040  0.96488484
   0.55242787  0.61172082  0.89938198
   0.69654080  0.92550657  0.56200826
   0.62989662  0.85033048  0.39554185
   0.90004866  0.20366234  0.11099102
   0.74024212  0.44674722  0.38061314
   0.28666283  0.10979435  0.65312451
   0.24025469  0.71078158  0.77677141
   0.00830517  1.09318052  0.12729863
   0.17321814  0.98806951 -0.00298197
   0.64484100  0.34655171  0.87116434
   0.92600829  0.49437698  0.66100068
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819735    0.318699   -0.157009
    -0.000000    9.833201   -0.259114
    -0.000000    0.000000   13.857924
   Si   O    H 
    32    64    10
Direct configuration=   476
   0.15406033  0.13134751 -0.02188708
   0.39494595  0.07380046  0.38874170
   0.12546619  0.37839288  0.12600140
   0.39441462  0.32602466  0.26391506
   0.13465505  0.15238573  0.48533433
   0.40589311  0.11789395  0.86370972
   0.11833745  0.41444717  0.60891826
   0.35329614  0.37388606  0.75621881
   0.14158264  0.64407536  0.00525513
   0.38918806  0.57911780  0.37255913
   0.06796384  0.88886624  0.15135361
   0.33667195  0.83086770  0.25468751
   0.14429805  0.67039375  0.49662336
   0.38971914  0.60523978  0.88504387
   0.05471002  0.92134782  0.60971166
   0.31393062  0.96706662  0.69605571
   0.63588674  0.13213412  1.01515501
   0.86184041  0.10814989  0.37616856
   0.61285243  0.39898673  0.12444953
   0.88518575  0.28453929  0.20293499
   0.65315669  0.16604948  0.52881142
   0.88037815  0.11112049  0.87827873
   0.60535630  0.43884292  0.61922776
   0.75455009  0.35341378  0.80764824
   0.63469092  0.64952920 -0.00147003
   0.89986732  0.59613144  0.37772011
   0.57745083  0.89998978  0.13324345
   0.82399966  0.83638224  0.26286477
   0.63924245  0.66129957  0.47916624
   0.89421475  0.60932545  0.87749392
   0.60963191  0.94107406  0.63941064
   0.83916410  0.86074612  0.75994269
   0.09391188  0.05298923  0.13554123
   0.39430029  0.16765869  0.29066639
   0.09892539  0.26361127  0.04753706
   0.35068115  0.42802543  0.35254354
   0.53068230  0.37379186  0.22072743
   0.28055707  0.33719215  0.17347980
   0.28351640  0.08905199  0.46995403
   0.03628655  0.12784704  0.39382586
   0.06505834  0.07142405  0.57732772
   0.41187126  0.22061818  0.77428068
   0.14570448  0.32199141  0.50942130
   0.35328615  0.44399390  0.86547092
   0.45434259  0.43205152  0.67381038
   0.20473564  0.35746097  0.70273879
   0.30287723  0.18106258 -0.05097795
   0.04738329  0.14331217  0.88218970
   0.11008786  0.53007841  0.07771298
   0.35607919  0.66692816  0.27588016
   0.09034820  0.79610804  0.05484514
   0.38814436  0.92113297  0.34886893
   0.41457548  0.89074907  0.16594262
   0.16913864  0.84483600  0.24300663
   0.29324451  0.66721993  0.45239252
   0.05753526  0.61035342  0.39976381
   0.12810161  0.57697798  0.58639555
   0.33535847  0.67913199  0.78339115
   0.08133454  0.82421992  0.51321767
   0.34686525  0.96896583  0.81597917
   0.45270291  0.89617666  0.64475737
   0.17868173  0.87791530  0.68688667
   0.31267983  0.64704789 -0.01592007
   0.05708753  0.62203499  0.90522622
   0.62077616  0.05188634  0.11373161
   0.80258911  0.19574305  0.28226593
   0.57783548  0.28635110  0.03919979
   0.83836215  0.44070211  0.36385027
   0.02237676  0.36216355  0.21251179
   0.77190244  0.39876071  0.15568878
   0.80375144  0.13962451  0.48248619
   0.55199869  0.11128355  0.44300247
   0.61190569  0.12554015  0.63678412
   0.81926354  0.19280621  0.79159177
   0.62079451  0.32837942  0.52836347
   0.87639468  0.44613397  0.85102422
   0.95639722  0.41208994  0.62928582
   0.71018420  0.42216426  0.70906860
   0.79516919  0.12718086  0.97324537
   0.54395636  0.07663117  0.92430818
   0.58277208  0.54540033  0.07881508
   0.87666554  0.68945978  0.28477574
   0.60424043  0.80031960  0.03928801
   0.83498547  0.94419409  0.35946912
   0.90635912  0.89351350  0.16932699
   0.65579886  0.84376862  0.22631633
   0.80518070  0.64004424  0.46996210
   0.55543605  0.56176856  0.39250772
   0.61331699  0.59877520  0.58814016
   0.87095535  0.69913974  0.77639950
   0.59604315  0.80937488  0.45592512
   0.89783967  0.94595856  0.84975827
   0.91017916  0.88998915  0.65369052
   0.67487725  0.91409781  0.74752421
   0.80052655  0.65371888  0.96399857
   0.55306151  0.61094322  0.90050228
   0.69697330  0.91645791  0.55435746
   0.62651984  0.84276824  0.39383518
   0.90078369  0.19901198  0.11007382
   0.74556769  0.44252662  0.38206271
   0.28992723  0.10612508  0.65449146
   0.24049277  0.70983790  0.78163997
   0.00433765  1.10151484  0.11908041
   0.17395360  0.98929824 -0.00468721
   0.64879723  0.34340673  0.86970122
   0.92921792  0.49322319  0.65829667
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822115    0.316841   -0.158585
    -0.000000    9.834598   -0.260511
    -0.000000    0.000000   13.858343
   Si   O    H 
    32    64    10
Direct configuration=   477
   0.15359241  0.13239944 -0.02334633
   0.39542591  0.07291790  0.38914177
   0.12458966  0.37785665  0.12631961
   0.39304682  0.32578410  0.26294802
   0.13317957  0.15103940  0.48621902
   0.40401230  0.11563009  0.86326017
   0.11796046  0.41522330  0.60946325
   0.35405115  0.37372037  0.75577833
   0.14255515  0.64408986  0.00408163
   0.38867466  0.58024512  0.37122518
   0.06889967  0.88928193  0.15150235
   0.33700961  0.83042948  0.25518177
   0.14421685  0.67269335  0.49569195
   0.38965193  0.60560936  0.88505931
   0.05471935  0.92137152  0.60898054
   0.31379047  0.96770905  0.69611619
   0.63531544  0.13214081  1.01396846
   0.86195181  0.10843893  0.37557175
   0.61249510  0.39909901  0.12469690
   0.88355012  0.28402391  0.20240221
   0.65206220  0.16639517  0.52874534
   0.88015584  0.11228316  0.87965396
   0.60642108  0.43742322  0.61860774
   0.75423943  0.35291554  0.80660370
   0.63254362  0.64902613 -0.00207179
   0.89925402  0.59464595  0.37906296
   0.57706713  0.90055061  0.13373331
   0.82348967  0.83531066  0.26152892
   0.63885978  0.66111996  0.47944932
   0.89464021  0.60907809  0.87782283
   0.60940558  0.94028669  0.63895874
   0.83953608  0.85949023  0.76030231
   0.09346800  0.05362793  0.13638088
   0.39571242  0.16633442  0.29104222
   0.09986429  0.26425681  0.04878771
   0.34911173  0.42709964  0.35360469
   0.53044357  0.37422047  0.22109537
   0.28139599  0.33750434  0.17269183
   0.28508338  0.08814039  0.47058898
   0.03808030  0.12633154  0.39509833
   0.06670432  0.06991285  0.57690609
   0.41089007  0.22150236  0.77439482
   0.14549124  0.32201829  0.51015654
   0.35132209  0.44354433  0.86465828
   0.45513830  0.43290067  0.67495210
   0.20468904  0.35862345  0.70365031
   0.30312176  0.18116391 -0.05037372
   0.04711792  0.14045627  0.88235405
   0.11058401  0.52864615  0.07820466
   0.35770034  0.66672259  0.27346951
   0.08933449  0.79648829  0.05469831
   0.38920110  0.91971180  0.34799015
   0.41293936  0.89024591  0.16605508
   0.17038759  0.84576465  0.24449342
   0.29503314  0.66573102  0.45311742
   0.05764107  0.60807927  0.39912259
   0.12730679  0.57672948  0.58820303
   0.33435257  0.67957293  0.78484521
   0.07993693  0.82345615  0.51255612
   0.34625695  0.97075735  0.81581250
   0.45161508  0.89665295  0.64364899
   0.17943738  0.87741196  0.68626496
   0.31228511  0.64861457 -0.01703546
   0.05702682  0.62196938  0.90435498
   0.62232887  0.05085135  0.11415366
   0.80220779  0.19568097  0.28178380
   0.57847479  0.28807773  0.03862481
   0.83773421  0.44192731  0.36348539
   0.02419309  0.36203609  0.21380786
   0.77364660  0.39869625  0.15630977
   0.80353051  0.13996055  0.48263583
   0.55201822  0.11038835  0.44256850
   0.61389442  0.12664262  0.63591056
   0.81918338  0.19355546  0.79159619
   0.62036465  0.32866997  0.52846927
   0.87624331  0.44657296  0.84946458
   0.95758335  0.41092319  0.62884924
   0.71172097  0.42308848  0.70918042
   0.79353108  0.12865977  0.97300450
   0.54558986  0.07757923  0.92513088
   0.58354904  0.54407702  0.07961765
   0.87510267  0.68853435  0.28461898
   0.60503222  0.80068429  0.03894755
   0.83455970  0.94310337  0.35854059
   0.90586640  0.89356294  0.16900768
   0.65641007  0.84370178  0.22595461
   0.80535057  0.64096283  0.46846603
   0.55729325  0.56334676  0.39323845
   0.61447055  0.60154373  0.58719032
   0.87175031  0.69776471  0.77659985
   0.59665646  0.81063369  0.45682828
   0.89860198  0.94645414  0.84894236
   0.91028324  0.88947775  0.65318194
   0.67528243  0.91367995  0.74821969
   0.79979350  0.65557045  0.96364773
   0.55356898  0.61147142  0.90120565
   0.69340835  0.90478419  0.54971783
   0.62363050  0.83603000  0.39362631
   0.90338185  0.19515456  0.11210973
   0.74197319  0.43894034  0.38371668
   0.29583428  0.09921402  0.65775845
   0.23746656  0.70688283  0.78789323
   0.00230597  1.11384479  0.11394482
   0.17728160  0.98757026 -0.00558403
   0.64563604  0.34435873  0.86995981
   0.92519711  0.50300302  0.65660957
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824557    0.315385   -0.160713
    -0.000000    9.835825   -0.262002
    -0.000000    0.000000   13.858227
   Si   O    H 
    32    64    10
Direct configuration=   478
   0.15285662  0.13352571 -0.02492443
   0.39634783  0.07186310  0.38929102
   0.12439067  0.37738789  0.12680734
   0.39114537  0.32574758  0.26214548
   0.13148314  0.15007091  0.48683682
   0.40173201  0.11348721  0.86262892
   0.11763342  0.41570664  0.61009698
   0.35396523  0.37368871  0.75505877
   0.14286383  0.64466865  0.00315465
   0.38845425  0.58146963  0.37004405
   0.06999025  0.88989480  0.15155888
   0.33680849  0.83004784  0.25565144
   0.14444414  0.67387046  0.49516280
   0.38942333  0.60546556  0.88489462
   0.05445633  0.92108409  0.60836196
   0.31373871  0.96805461  0.69619298
   0.63477984  0.13233812  1.01276651
   0.86242486  0.10916584  0.37472403
   0.61229865  0.39881833  0.12491739
   0.88255754  0.28350317  0.20163033
   0.65126047  0.16684792  0.52818447
   0.88032377  0.11299540  0.88057795
   0.60767598  0.43646607  0.61752334
   0.75404965  0.35207193  0.80546349
   0.63090457  0.64843587 -0.00250285
   0.89916211  0.59302522  0.38054617
   0.57638063  0.90097221  0.13433988
   0.82333250  0.83479968  0.26035565
   0.63869145  0.66014078  0.47917090
   0.89475949  0.60914356  0.87817486
   0.60935716  0.93894304  0.63821787
   0.83935837  0.85861720  0.76040671
   0.09184155  0.05411723  0.13732129
   0.39736157  0.16523981  0.29138399
   0.10020551  0.26444531  0.04952647
   0.34785614  0.42594583  0.35488360
   0.53021150  0.37444607  0.22216517
   0.28237323  0.33801524  0.17242900
   0.28558625  0.08820564  0.47156042
   0.03873095  0.12520875  0.39604993
   0.06936201  0.06947454  0.57683297
   0.41071986  0.22151185  0.77491955
   0.14603077  0.32178602  0.51166174
   0.34929078  0.44345066  0.86384058
   0.45592815  0.43325052  0.67570332
   0.20481626  0.36046837  0.70519334
   0.30390750  0.18162956 -0.05019953
   0.04746376  0.13868895  0.88343228
   0.11182497  0.52800910  0.07899504
   0.36010149  0.66587654  0.27092437
   0.08905859  0.79802452  0.05401777
   0.39061733  0.91871298  0.34748858
   0.41188751  0.88878244  0.16525624
   0.17069778  0.84684162  0.24516415
   0.29635962  0.66421229  0.45389166
   0.05730479  0.60584064  0.39917935
   0.12683848  0.57600709  0.59031321
   0.33350655  0.68016928  0.78598810
   0.07931009  0.82222407  0.51208981
   0.34557223  0.97200421  0.81602910
   0.45040316  0.89641452  0.64373179
   0.18063190  0.87732424  0.68592093
   0.31163456  0.64994265 -0.01762856
   0.05706786  0.62148642  0.90360295
   0.62329840  0.05014538  0.11461048
   0.80214396  0.19522163  0.28210714
   0.57945222  0.28983817  0.03869225
   0.83767718  0.44368309  0.36334541
   0.02527864  0.36274309  0.21480773
   0.77539823  0.39844471  0.15626933
   0.80278933  0.14037501  0.48303861
   0.55010917  0.10941857  0.44195940
   0.61572170  0.12709442  0.63513814
   0.81845765  0.19463636  0.79142224
   0.61989415  0.32906970  0.52879070
   0.87523887  0.44722234  0.84830427
   0.95831147  0.41027451  0.62864497
   0.71260840  0.42483327  0.70853549
   0.79195603  0.13059882  0.97349679
   0.54711504  0.07724952  0.92581604
   0.58435748  0.54286646  0.08052086
   0.87443039  0.68729153  0.28461884
   0.60586368  0.80138428  0.03911669
   0.83443941  0.94305984  0.35701592
   0.90477429  0.89403297  0.16907118
   0.65755913  0.84364452  0.22568318
   0.80441602  0.64184173  0.46685873
   0.55915477  0.56533340  0.39365430
   0.61585968  0.60354738  0.58637422
   0.87258267  0.69606858  0.77620335
   0.59798091  0.81227896  0.45761721
   0.89848224  0.94719840  0.84806273
   0.91034790  0.88934651  0.65260176
   0.67544000  0.91271026  0.74856780
   0.79873711  0.65811317  0.96353915
   0.55357268  0.61221481  0.90102571
   0.68637093  0.89688624  0.54973495
   0.62559077  0.83522231  0.38903806
   0.90216662  0.19022801  0.11751090
   0.74062716  0.43573889  0.38426395
   0.30046751  0.09698368  0.66013361
   0.23298024  0.70076511  0.79126570
   0.00608486  1.11698939  0.11165602
   0.17793153  0.99011589 -0.00957152
   0.63695014  0.34514130  0.87069426
   0.92248409  0.50270954  0.65275744
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826747    0.313859   -0.162313
    -0.000000    9.837205   -0.263775
    -0.000000    0.000000   13.858042
   Si   O    H 
    32    64    10
Direct configuration=   479
   0.15246848  0.13469514 -0.02586730
   0.39743934  0.07112443  0.38945467
   0.12499621  0.37746092  0.12736985
   0.38972980  0.32565272  0.26144895
   0.13061588  0.14942378  0.48771118
   0.39986437  0.11171042  0.86236050
   0.11730715  0.41649648  0.61067471
   0.35347445  0.37366391  0.75473227
   0.14289634  0.64554360  0.00244060
   0.38829141  0.58256741  0.36900602
   0.07080139  0.88937414  0.15182064
   0.33614590  0.82983753  0.25668833
   0.14435550  0.67521605  0.49485929
   0.38934380  0.60499225  0.88481017
   0.05415264  0.92074924  0.60783597
   0.31381995  0.96837182  0.69682598
   0.63415155  0.13269275  1.01144500
   0.86341525  0.10998983  0.37391813
   0.61250246  0.39850036  0.12482292
   0.88185142  0.28283773  0.20080010
   0.65050566  0.16789606  0.52702838
   0.88116061  0.11282002  0.88135039
   0.60856247  0.43644479  0.61666600
   0.75411385  0.35095439  0.80449685
   0.62966841  0.64837448 -0.00215403
   0.89918531  0.59131305  0.38182851
   0.57588789  0.90104349  0.13489651
   0.82303860  0.83472448  0.25926983
   0.63844675  0.65875716  0.47880464
   0.89501680  0.60907423  0.87808896
   0.60882091  0.93837313  0.63742051
   0.83900436  0.85837757  0.76084450
   0.09001671  0.05408721  0.13851083
   0.39791237  0.16378904  0.29189457
   0.10091740  0.26421125  0.04960302
   0.34672242  0.42420581  0.35598610
   0.53054733  0.37427944  0.22249113
   0.28257530  0.33893846  0.17184621
   0.28537341  0.08869529  0.47291173
   0.03891779  0.12438874  0.39656146
   0.07215865  0.06988846  0.57647046
   0.41094842  0.22021106  0.77525545
   0.14636845  0.32138607  0.51339890
   0.34796575  0.44334494  0.86323513
   0.45753082  0.43281531  0.67604251
   0.20494925  0.36178420  0.70587607
   0.30477459  0.18175578 -0.05109462
   0.04824692  0.13746039  0.88429111
   0.11309066  0.52796658  0.08042929
   0.36177624  0.66407241  0.26892660
   0.08870862  0.79935748  0.05292162
   0.39245575  0.91882750  0.34703613
   0.41055282  0.88816310  0.16416134
   0.17037012  0.84812050  0.24571644
   0.29763751  0.66297226  0.45497637
   0.05764463  0.60344837  0.39891290
   0.12669905  0.57534395  0.59260225
   0.33227586  0.68105699  0.78712435
   0.07944400  0.82100208  0.51208834
   0.34410215  0.97353909  0.81573919
   0.44971592  0.89717804  0.64345589
   0.18135436  0.87689021  0.68559649
   0.31022548  0.65061600 -0.01770068
   0.05801244  0.62056444  0.90316634
   0.62450720  0.04961239  0.11523583
   0.80236563  0.19462338  0.28279996
   0.58110785  0.29098877  0.03881410
   0.83746422  0.44524733  0.36326366
   0.02588041  0.36286766  0.21662125
   0.77652666  0.39775878  0.15602323
   0.80169725  0.14112177  0.48391546
   0.54823652  0.10835779  0.44105788
   0.61700584  0.12691462  0.63391218
   0.81797047  0.19536187  0.79119152
   0.62052705  0.32954184  0.52848841
   0.87424905  0.44737616  0.84700551
   0.95845183  0.40998808  0.62805809
   0.71314363  0.42674619  0.70729856
   0.78979853  0.13198730  0.97477047
   0.54751299  0.07781472  0.92594440
   0.58565279  0.54235668  0.08127784
   0.87292052  0.68582739  0.28480978
   0.60652052  0.80137197  0.03938282
   0.83443654  0.94252169  0.35571262
   0.90280236  0.89376231  0.16910015
   0.65939069  0.84316791  0.22580300
   0.80328726  0.64404704  0.46583472
   0.55995096  0.56744709  0.39428967
   0.61758640  0.60456963  0.58618138
   0.87256906  0.69390383  0.77588456
   0.59986628  0.81406806  0.45806832
   0.89824201  0.94769410  0.84754333
   0.91096709  0.88916813  0.65234553
   0.67494504  0.91075884  0.74887039
   0.79802201  0.66043577  0.96371737
   0.55367875  0.61275632  0.90053371
   0.67721398  0.89520763  0.55369480
   0.62609828  0.83607636  0.38952514
   0.90197617  0.18531676  0.12498611
   0.74219889  0.43321771  0.38852221
   0.30099982  0.10196500  0.66013437
   0.23380562  0.69492203  0.79294038
   0.01595906  1.11102088  0.11227741
   0.17939723  0.99240604 -0.01488777
   0.63168220  0.34686606  0.86930683
   0.92239384  0.49494044  0.64936637
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828680    0.312547   -0.164404
    -0.000000    9.838667   -0.264771
    -0.000000    0.000000   13.857541
   Si   O    H 
    32    64    10
Direct configuration=   480
   0.15253766  0.13582422 -0.02651525
   0.39894871  0.07048025  0.38923536
   0.12602888  0.37752961  0.12797380
   0.38812228  0.32580452  0.26113460
   0.13014178  0.14927124  0.48844636
   0.39826998  0.11061157  0.86194568
   0.11690656  0.41668841  0.61084021
   0.35307876  0.37352479  0.75448594
   0.14289934  0.64635541  0.00241243
   0.38811432  0.58369402  0.36858477
   0.07119241  0.88858583  0.15176401
   0.33615433  0.82906621  0.25738811
   0.14409123  0.67626520  0.49461387
   0.38877796  0.60426298  0.88463485
   0.05383239  0.91965249  0.60793351
   0.31390847  0.96806453  0.69727095
   0.63414411  0.13315130  1.01011474
   0.86449406  0.11086385  0.37330838
   0.61260479  0.39820607  0.12472076
   0.88120077  0.28262147  0.20004698
   0.64950874  0.16836067  0.52557977
   0.88209668  0.11294486  0.88216122
   0.60981327  0.43735731  0.61638582
   0.75406736  0.35008049  0.80344052
   0.62879120  0.64837711 -0.00119184
   0.89899141  0.59033461  0.38254346
   0.57538627  0.90035246  0.13544714
   0.82237087  0.83510464  0.25772155
   0.63825750  0.65654459  0.47805933
   0.89504838  0.60873249  0.87721593
   0.60834694  0.93795041  0.63720157
   0.83857152  0.85836027  0.76127052
   0.08799325  0.05440861  0.13953407
   0.39774688  0.16228722  0.29296824
   0.10131046  0.26319990  0.04943325
   0.34634608  0.42248577  0.35650641
   0.53107260  0.37380287  0.22249597
   0.28179432  0.33965814  0.17122971
   0.28506782  0.08820331  0.47322924
   0.03856099  0.12290128  0.39706708
   0.07459398  0.07085754  0.57640990
   0.41124981  0.21816421  0.77573790
   0.14708001  0.32051756  0.51528127
   0.34675224  0.44381913  0.86308960
   0.45895630  0.43211907  0.67695255
   0.20448448  0.36244052  0.70622161
   0.30509287  0.18185901 -0.05223861
   0.04816019  0.13719716  0.88534144
   0.11410287  0.52728272  0.08187687
   0.36361448  0.66273693  0.26718951
   0.08941969  0.80032822  0.05169261
   0.39478168  0.91924494  0.34665334
   0.41029722  0.88680490  0.16256706
   0.16934180  0.84955218  0.24584558
   0.29978970  0.66086698  0.45575900
   0.05817541  0.60122280  0.39972072
   0.12724835  0.57487215  0.59508837
   0.33051681  0.68206580  0.78864445
   0.07923408  0.82002260  0.51183299
   0.34247064  0.97407433  0.81569738
   0.44872575  0.89858101  0.64271341
   0.18087196  0.87733482  0.68512217
   0.30875606  0.65122537 -0.01730223
   0.05864603  0.61984631  0.90287888
   0.62531125  0.04944072  0.11594446
   0.80313670  0.19337440  0.28333157
   0.58295360  0.29161208  0.03878420
   0.83642993  0.44561052  0.36351837
   0.02571716  0.36277618  0.21846395
   0.77761824  0.39688523  0.15592074
   0.80090915  0.14174286  0.48439098
   0.54618156  0.10731548  0.43975014
   0.61769191  0.12606887  0.63328313
   0.81756609  0.19677291  0.79051815
   0.62041368  0.33012569  0.52822237
   0.87336369  0.44752587  0.84585114
   0.95911837  0.40865330  0.62729128
   0.71411693  0.42866193  0.70516132
   0.78839657  0.13270581  0.97592696
   0.54810925  0.07805281  0.92591334
   0.58671570  0.54284528  0.08178760
   0.87120230  0.68399245  0.28551618
   0.60701208  0.80156054  0.03998092
   0.83437824  0.94274314  0.35473460
   0.90151485  0.89328777  0.16997118
   0.66077191  0.84229826  0.22603777
   0.80128800  0.64721836  0.46505693
   0.56040247  0.56912741  0.39551474
   0.61804894  0.60516086  0.58624595
   0.87212225  0.69163222  0.77619966
   0.60164454  0.81559703  0.45826222
   0.89785815  0.94849457  0.84732522
   0.91162504  0.88825689  0.65284584
   0.67392882  0.90896105  0.74860972
   0.79571666  0.66262131  0.96471188
   0.55348065  0.61384282  0.89971833
   0.67140541  0.89413586  0.55677488
   0.62875078  0.84043465  0.39220419
   0.90006684  0.18040082  0.12963719
   0.74933948  0.42858993  0.38982553
   0.29905944  0.10762401  0.66051053
   0.23205772  0.69256044  0.79193789
   0.01980411  1.10165205  0.11157413
   0.17695259  0.99461256 -0.01759436
   0.62944550  0.34941863  0.86676483
   0.92269568  0.49264864  0.64644998
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830659    0.311140   -0.166179
    -0.000000    9.839954   -0.265597
    -0.000000    0.000000   13.857521
   Si   O    H 
    32    64    10
Direct configuration=   481
   0.15276235  0.13689797 -0.02733032
   0.40022103  0.06975909  0.38910939
   0.12761665  0.37785051  0.12839074
   0.38686561  0.32621050  0.26080467
   0.12960222  0.15024687  0.48940106
   0.39648070  0.11013416  0.86157211
   0.11670640  0.41659075  0.61085078
   0.35334614  0.37317357  0.75384786
   0.14328861  0.64687662  0.00264896
   0.38770630  0.58451283  0.36872285
   0.07146039  0.88753408  0.15147748
   0.33642939  0.82837476  0.25771674
   0.14401214  0.67680554  0.49442953
   0.38818612  0.60388805  0.88412678
   0.05362050  0.91908672  0.60801872
   0.31367012  0.96796067  0.69781821
   0.63406074  0.13371830  1.00904283
   0.86539556  0.11131316  0.37288149
   0.61263947  0.39827555  0.12463833
   0.88009702  0.28314900  0.19951572
   0.64813304  0.16920647  0.52407037
   0.88366489  0.11308570  0.88276267
   0.61117411  0.43814065  0.61639556
   0.75413516  0.34942754  0.80247138
   0.62851767  0.64853731 -0.00016820
   0.89824615  0.59006516  0.38284710
   0.57505440  0.89950559  0.13572310
   0.82099458  0.83558424  0.25641501
   0.63810600  0.65486424  0.47767482
   0.89520573  0.60887663  0.87634011
   0.60848621  0.93795875  0.63741213
   0.83814421  0.85811589  0.76158894
   0.08711564  0.05340098  0.14075609
   0.39716432  0.16202562  0.29375401
   0.10186841  0.26258328  0.04847841
   0.34638790  0.42140980  0.35679580
   0.53163131  0.37344438  0.22283374
   0.28129645  0.34055361  0.17043387
   0.28497755  0.08822949  0.47342467
   0.03751107  0.12077206  0.39689634
   0.07591223  0.07171230  0.57655066
   0.41198708  0.21621592  0.77601902
   0.14864064  0.31849098  0.51717140
   0.34467913  0.44473353  0.86257350
   0.46015279  0.43186509  0.67812287
   0.20404722  0.36323309  0.70599356
   0.30569119  0.18216585 -0.05300156
   0.04610191  0.13813563  0.88625687
   0.11490641  0.52642750  0.08309046
   0.36520900  0.66140688  0.26542088
   0.09004420  0.80110678  0.05039086
   0.39752414  0.91888785  0.34704726
   0.41027608  0.88530993  0.16146797
   0.16917672  0.85047571  0.24586915
   0.30210479  0.65810456  0.45631104
   0.05829823  0.59909376  0.40022877
   0.12872541  0.57533822  0.59720697
   0.32850413  0.68368290  0.78937207
   0.07870712  0.81948232  0.51113203
   0.34150630  0.97419161  0.81531098
   0.44806431  0.89997489  0.64137428
   0.17996028  0.87779696  0.68477649
   0.30705000  0.65182013 -0.01713618
   0.05943430  0.62000298  0.90269428
   0.62528020  0.05000835  0.11635277
   0.80455312  0.19176086  0.28374451
   0.58592197  0.29223316  0.03892084
   0.83575115  0.44503211  0.36418928
   0.02473736  0.36304598  0.22093119
   0.77805421  0.39582905  0.15605748
   0.80016858  0.14233509  0.48455827
   0.54414438  0.10613695  0.43849052
   0.61829754  0.12500142  0.63270285
   0.81786074  0.19778332  0.78987570
   0.62038981  0.33132723  0.52799501
   0.87249597  0.44740961  0.84479800
   0.95933515  0.40726976  0.62635950
   0.71524997  0.42972227  0.70319432
   0.78755709  0.13351965  0.97692437
   0.54790452  0.07848832  0.92561369
   0.58730876  0.54389103  0.08160101
   0.86932387  0.68238166  0.28670453
   0.60691673  0.80176189  0.04022231
   0.83432952  0.94224431  0.35413975
   0.90155257  0.89243816  0.17066888
   0.66273886  0.84140939  0.22605824
   0.80010036  0.65074444  0.46405779
   0.55905590  0.57011345  0.39650728
   0.61737549  0.60520556  0.58655243
   0.87200657  0.68941845  0.77617225
   0.60269731  0.81719419  0.45854369
   0.89681339  0.94968209  0.84710283
   0.91175443  0.88798192  0.65353626
   0.67253678  0.90735308  0.74789008
   0.79390955  0.66474676  0.96597284
   0.55191828  0.61453708  0.89820703
   0.67489370  0.89401294  0.55757946
   0.62889179  0.84813308  0.39674698
   0.89988244  0.17297416  0.12886657
   0.74892704  0.42522127  0.39196513
   0.29864725  0.10830554  0.66138717
   0.22425671  0.69211039  0.78879078
   0.00990347  1.10390480  0.10747104
   0.17304099  0.99485618 -0.01787961
   0.62770891  0.35021374  0.86376915
   0.91619244  0.49908732  0.64803958
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832502    0.309572   -0.167942
    -0.000000    9.841035   -0.266242
    -0.000000    0.000000   13.857878
   Si   O    H 
    32    64    10
Direct configuration=   482
   0.15360628  0.13788342 -0.02806903
   0.40182359  0.06900077  0.38929699
   0.12910499  0.37797369  0.12902288
   0.38595858  0.32642949  0.26058278
   0.12958670  0.15177914  0.49038899
   0.39521219  0.10931693  0.86168294
   0.11663653  0.41613963  0.61079365
   0.35369301  0.37308299  0.75310320
   0.14357565  0.64765156  0.00291317
   0.38772823  0.58504423  0.36930061
   0.07111974  0.88655393  0.15151366
   0.33719224  0.82795377  0.25787394
   0.14388391  0.67613124  0.49510386
   0.38684845  0.60347880  0.88369908
   0.05333704  0.91892169  0.60800372
   0.31395456  0.96849356  0.69827075
   0.63356503  0.13413149  1.00845157
   0.86670650  0.11140006  0.37268467
   0.61324619  0.39865871  0.12482452
   0.87968310  0.28351163  0.19892251
   0.64672557  0.16946091  0.52247183
   0.88479160  0.11228083  0.88322471
   0.61156269  0.43978911  0.61628560
   0.75389419  0.34873395  0.80166533
   0.62837611  0.64913009  0.00108581
   0.89745768  0.58981396  0.38281647
   0.57518814  0.89884172  0.13569050
   0.81995764  0.83609993  0.25556039
   0.63760625  0.65288587  0.47733371
   0.89542004  0.60912941  0.87543987
   0.60847893  0.93862154  0.63824456
   0.83747876  0.85729723  0.76176961
   0.08725949  0.05261697  0.14252645
   0.39694910  0.16273797  0.29431041
   0.10183934  0.26228364  0.04743970
   0.34665430  0.42055963  0.35714839
   0.53156434  0.37317628  0.22332105
   0.28043992  0.34220244  0.17052538
   0.28518714  0.08847343  0.47357762
   0.03625019  0.11829198  0.39646970
   0.07663059  0.07149880  0.57698858
   0.41246703  0.21483820  0.77600658
   0.14942362  0.31603777  0.51900251
   0.34305365  0.44615323  0.86188708
   0.46076468  0.43209081  0.67915463
   0.20297609  0.36425849  0.70575064
   0.30611875  0.18233313 -0.05357278
   0.04277180  0.13826928  0.88675659
   0.11603153  0.52609332  0.08389243
   0.36729084  0.65958177  0.26443130
   0.09035587  0.80110481  0.04976010
   0.39941530  0.91843608  0.34775323
   0.41001857  0.88390648  0.16060552
   0.16965264  0.85195331  0.24585728
   0.30447827  0.65582811  0.45678798
   0.05907762  0.59734669  0.40105002
   0.12992858  0.57711078  0.59899334
   0.32638829  0.68580938  0.78984122
   0.07842048  0.81943490  0.51000781
   0.34089441  0.97416034  0.81555719
   0.44630057  0.90127137  0.64021584
   0.17897124  0.87845633  0.68464598
   0.30552094  0.65244315 -0.01749150
   0.06096828  0.62022488  0.90252349
   0.62477812  0.05145250  0.11619460
   0.80680926  0.19111691  0.28445160
   0.58886974  0.29229031  0.03841561
   0.83562851  0.44271954  0.36465673
   0.02427469  0.36318911  0.22315729
   0.77840118  0.39476317  0.15580297
   0.80000352  0.14230762  0.48489701
   0.54363881  0.10465693  0.43728578
   0.61934056  0.12301688  0.63249038
   0.81769100  0.19820226  0.78911540
   0.61967299  0.33260654  0.52683943
   0.87143230  0.44725022  0.84361365
   0.95939082  0.40668482  0.62535553
   0.71627888  0.43113021  0.70183465
   0.78758822  0.13414667  0.97831128
   0.54749301  0.07876886  0.92444233
   0.58778782  0.54503482  0.08178984
   0.86765799  0.68119242  0.28819828
   0.60620920  0.80233555  0.04017734
   0.83473227  0.94328326  0.35315729
   0.90198650  0.89171969  0.17078121
   0.66354970  0.84023371  0.22659673
   0.79994878  0.65434908  0.46342409
   0.55761550  0.57126670  0.39733698
   0.61670152  0.60499353  0.58700426
   0.87172871  0.68784698  0.77579894
   0.60334232  0.81890847  0.45895103
   0.89647543  0.95143990  0.84708347
   0.91105220  0.88879329  0.65361601
   0.67119196  0.90525168  0.74763584
   0.79249297  0.66564341  0.96749498
   0.55012905  0.61597194  0.89665705
   0.68363027  0.89011985  0.55456037
   0.63227087  0.85359409  0.39847203
   0.89728545  0.16692515  0.12711905
   0.74720311  0.41905833  0.39305754
   0.30397098  0.10676405  0.66107302
   0.22741002  0.69145155  0.78701012
   0.00454951  1.10187073  0.10589410
   0.16774995  0.99109753 -0.01730293
   0.62892150  0.35022150  0.86007303
   0.91427815  0.49778584  0.64935176
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834164    0.308328   -0.169594
    -0.000000    9.841841   -0.266978
    -0.000000    0.000000   13.858084
   Si   O    H 
    32    64    10
Direct configuration=   483
   0.15461554  0.13892896 -0.02849778
   0.40358125  0.06905118  0.38931139
   0.13057836  0.37820818  0.12939965
   0.38563077  0.32619711  0.26067914
   0.12956125  0.15401037  0.49104937
   0.39428956  0.10912008  0.86138452
   0.11686329  0.41553077  0.61079876
   0.35397407  0.37274812  0.75223806
   0.14389878  0.64830507  0.00397597
   0.38792712  0.58553358  0.36991317
   0.07015780  0.88600020  0.15121010
   0.33809408  0.82767845  0.25794494
   0.14406642  0.67448146  0.49535054
   0.38563629  0.60345266  0.88352362
   0.05350285  0.91901948  0.60818926
   0.31428072  0.96872044  0.69855649
   0.63283645  0.13470430  1.00834637
   0.86846488  0.11140207  0.37249201
   0.61401712  0.39928434  0.12475874
   0.87942452  0.28377720  0.19832562
   0.64496643  0.16975732  0.52076314
   0.88603584  0.11149244  0.88351023
   0.61164639  0.44119162  0.61637728
   0.75414133  0.34861160  0.80090860
   0.62872560  0.64975768  0.00164186
   0.89682569  0.58950683  0.38236698
   0.57556815  0.89853083  0.13536455
   0.81934079  0.83669537  0.25510710
   0.63671871  0.65159547  0.47746749
   0.89625107  0.60879050  0.87490809
   0.60792859  0.93960488  0.63899037
   0.83685182  0.85604861  0.76207211
   0.08750432  0.05120059  0.14433188
   0.39748816  0.16357131  0.29507130
   0.10209067  0.26222019  0.04611111
   0.34597575  0.41958076  0.35672604
   0.53238571  0.37282833  0.22376285
   0.27988379  0.34528776  0.17041443
   0.28539676  0.08873696  0.47353074
   0.03454343  0.11624351  0.39596935
   0.07738650  0.07020275  0.57764962
   0.41273307  0.21382538  0.77648769
   0.15006935  0.31367234  0.52112629
   0.34171360  0.44686473  0.86078692
   0.46183490  0.43160259  0.68018842
   0.20203763  0.36532564  0.70503511
   0.30766506  0.18300084 -0.05398334
   0.03925330  0.13857896  0.88695013
   0.11756642  0.52566423  0.08474412
   0.36853935  0.65802726  0.26423451
   0.09097535  0.80056843  0.04998372
   0.40123938  0.91758176  0.34808505
   0.41046789  0.88254973  0.16032900
   0.17006605  0.85334323  0.24623763
   0.30631530  0.65372084  0.45751886
   0.05985470  0.59528051  0.40200038
   0.13009150  0.57926881  0.60030906
   0.32468647  0.68737218  0.79063089
   0.07734494  0.82052528  0.50936196
   0.33987442  0.97370093  0.81544373
   0.44501721  0.90290704  0.63903674
   0.17759788  0.87939753  0.68453231
   0.30380584  0.65262061 -0.01779293
   0.06220353  0.62107031  0.90271392
   0.62393619  0.05320114  0.11515369
   0.81005687  0.19081438  0.28499397
   0.59165067  0.29245707  0.03805615
   0.83531787  0.43961737  0.36522924
   0.02395896  0.36250760  0.22486106
   0.77873236  0.39341275  0.15520219
   0.80018087  0.14214528  0.48480635
   0.54408952  0.10358710  0.43649632
   0.62028647  0.12183303  0.63216033
   0.81696207  0.19814870  0.78855543
   0.61931119  0.33416992  0.52596320
   0.87072447  0.44748400  0.84309823
   0.95926945  0.40761114  0.62490712
   0.71696235  0.43290914  0.70101499
   0.78820618  0.13507868  0.97898863
   0.54600736  0.07871990  0.92253394
   0.58884024  0.54632659  0.08194543
   0.86604591  0.68029352  0.28906267
   0.60527011  0.80257103  0.04033708
   0.83557038  0.94438815  0.35224074
   0.90265466  0.89095874  0.17068549
   0.66424366  0.83838431  0.22720440
   0.79899005  0.65700875  0.46340620
   0.55612304  0.57187412  0.39792684
   0.61636405  0.60408531  0.58671826
   0.87107646  0.68764908  0.77552481
   0.60401414  0.81990098  0.45902585
   0.89656205  0.95253340  0.84772092
   0.91010390  0.88972034  0.65389164
   0.66996589  0.90312226  0.74783490
   0.79197661  0.66579554  0.96822547
   0.54822953  0.61717062  0.89542188
   0.69251437  0.88422054  0.55583912
   0.63334975  0.85759968  0.39790116
   0.89275371  0.16012293  0.12675121
   0.75108267  0.41643748  0.39333721
   0.30605786  0.10419747  0.65780494
   0.23046892  0.69209522  0.78558960
   0.00423791  1.09538476  0.10913329
   0.16495405  0.99033823 -0.01694691
   0.63405258  0.35037774  0.85629346
   0.91252466  0.48801340  0.65202339
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835985    0.307585   -0.170621
    -0.000000    9.842421   -0.267387
    -0.000000    0.000000   13.858314
   Si   O    H 
    32    64    10
Direct configuration=   484
   0.15605298  0.14022494 -0.02836445
   0.40503029  0.06947844  0.38939703
   0.13172904  0.37752748  0.12954121
   0.38498456  0.32591551  0.26081262
   0.12960392  0.15559802  0.49171808
   0.39401114  0.10900675  0.86151588
   0.11661633  0.41513962  0.61113436
   0.35468204  0.37236653  0.75196754
   0.14431772  0.64909997  0.00482544
   0.38759281  0.58543057  0.37045893
   0.06896971  0.88587452  0.15088043
   0.33937261  0.82716221  0.25760547
   0.14454534  0.67205255  0.49562304
   0.38422446  0.60359168  0.88346747
   0.05370270  0.91855718  0.60832668
   0.31432809  0.96891753  0.69896661
   0.63215176  0.13467063  1.00820070
   0.87014649  0.11070083  0.37237907
   0.61437093  0.39932343  0.12489687
   0.87929139  0.28390877  0.19792773
   0.64340919  0.16973744  0.51948302
   0.88639953  0.11078498  0.88330490
   0.61121627  0.44263359  0.61643845
   0.75411572  0.34898144  0.80002686
   0.62903047  0.65094226  0.00190912
   0.89663964  0.58880853  0.38182558
   0.57573629  0.89818132  0.13541530
   0.81924294  0.83718784  0.25524603
   0.63666404  0.65077018  0.47724896
   0.89610027  0.60803876  0.87459902
   0.60683664  0.94072730  0.63963672
   0.83628455  0.85537600  0.76241853
   0.08803893  0.05048631  0.14605199
   0.39709788  0.16390443  0.29520691
   0.10181669  0.26289141  0.04548989
   0.34491895  0.41945588  0.35627076
   0.53255632  0.37228126  0.22427791
   0.28038852  0.34829466  0.16985414
   0.28634443  0.08850704  0.47307922
   0.03264555  0.11486475  0.39556397
   0.07707147  0.06935694  0.57873639
   0.41282947  0.21343196  0.77756885
   0.15082633  0.31203142  0.52287416
   0.34074374  0.44754372  0.86016352
   0.46313918  0.43133858  0.68093392
   0.20050822  0.36664261  0.70450160
   0.30914427  0.18371678 -0.05486670
   0.03569525  0.13922241  0.88695141
   0.11830452  0.52624660  0.08495346
   0.36960449  0.65763363  0.26391866
   0.09133107  0.79926728  0.05010211
   0.40231466  0.91646164  0.34870342
   0.41142370  0.88104706  0.16001099
   0.17052787  0.85444776  0.24662654
   0.30720689  0.65205138  0.45874101
   0.06048439  0.59368394  0.40331922
   0.13095861  0.58199298  0.60053074
   0.32359060  0.68815385  0.79127274
   0.07664647  0.82102171  0.50897735
   0.33877006  0.97314407  0.81498040
   0.44342945  0.90569785  0.63842308
   0.17642630  0.88116486  0.68439057
   0.30193408  0.65327105 -0.01821990
   0.06310858  0.62127410  0.90263224
   0.62204922  0.05453284  0.11399183
   0.81260460  0.19097174  0.28529853
   0.59440024  0.29261003  0.03808947
   0.83527792  0.43736201  0.36531138
   0.02380354  0.36203571  0.22553984
   0.77802308  0.39245296  0.15426613
   0.79972642  0.14226793  0.48414582
   0.54544806  0.10223400  0.43585602
   0.62038580  0.12045771  0.63154362
   0.81712020  0.19781166  0.78870574
   0.61847759  0.33567571  0.52527139
   0.87002607  0.44763674  0.84267206
   0.95790888  0.40882583  0.62436661
   0.71805148  0.43400326  0.70056387
   0.78906501  0.13600102  0.97899671
   0.54402664  0.07803851  0.91970444
   0.58975808  0.54835602  0.08291734
   0.86440398  0.67958904  0.28917182
   0.60383998  0.80333846  0.04058333
   0.83671842  0.94535511  0.35134021
   0.90343718  0.89043011  0.17035715
   0.66430870  0.83688991  0.22780952
   0.79804637  0.65873303  0.46377884
   0.55418036  0.57246290  0.39829755
   0.61592356  0.60388845  0.58634867
   0.86990654  0.68773105  0.77508353
   0.60463500  0.82035719  0.45921487
   0.89696649  0.95328633  0.84782939
   0.90935631  0.89136271  0.65429526
   0.66942853  0.90074041  0.74812457
   0.79144438  0.66575585  0.96849457
   0.54689022  0.61743947  0.89458087
   0.69770515  0.88315977  0.56240398
   0.63247644  0.86118105  0.39929777
   0.88811971  0.15734732  0.12742355
   0.75472101  0.41176909  0.39638312
   0.30415928  0.10120286  0.65778030
   0.22295493  0.69346306  0.78362798
   0.00402463  1.08757343  0.11589548
   0.16347993  0.99066918 -0.01464387
   0.63602469  0.35021241  0.85476820
   0.90791666  0.47746856  0.65625989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838131    0.306252   -0.171903
    -0.000000    9.842863   -0.268178
    -0.000000    0.000000   13.858443
   Si   O    H 
    32    64    10
Direct configuration=   485
   0.15727994  0.14090336 -0.02810712
   0.40613273  0.06974479  0.38903916
   0.13237462  0.37705919  0.12971819
   0.38422656  0.32494298  0.26121732
   0.13014705  0.15683493  0.49219255
   0.39520558  0.10857631  0.86150120
   0.11633064  0.41526521  0.61121321
   0.35610300  0.37138497  0.75199621
   0.14418113  0.64959406  0.00575799
   0.38717140  0.58498910  0.37021019
   0.06809094  0.88545459  0.15076886
   0.34049317  0.82735337  0.25739349
   0.14508596  0.66939494  0.49540905
   0.38218197  0.60344231  0.88388627
   0.05372628  0.91775165  0.60805536
   0.31421660  0.96845198  0.69922523
   0.63109285  0.13485652  1.00855724
   0.87113878  0.10914134  0.37249016
   0.61481157  0.39882837  0.12521645
   0.87891689  0.28403866  0.19755097
   0.64231581  0.16945136  0.51844241
   0.88568063  0.11125251  0.88263922
   0.61114265  0.44361312  0.61680970
   0.75326558  0.34892356  0.79901505
   0.62943613  0.65183754  0.00178054
   0.89707943  0.58809299  0.38105810
   0.57564237  0.89802880  0.13544092
   0.81902412  0.83703783  0.25587446
   0.63663108  0.65080756  0.47667982
   0.89585741  0.60728212  0.87409954
   0.60634425  0.94207587  0.64028672
   0.83589016  0.85424370  0.76259080
   0.08923206  0.04931443  0.14765918
   0.39615473  0.16482884  0.29549210
   0.10135886  0.26363945  0.04465243
   0.34440207  0.42040707  0.35630378
   0.53267439  0.37151392  0.22456252
   0.28166173  0.35103522  0.16956831
   0.28751153  0.08799662  0.47226713
   0.03096242  0.11375245  0.39596103
   0.07691838  0.06916279  0.57961044
   0.41267219  0.21337326  0.77839328
   0.15027634  0.31033693  0.52429054
   0.34081753  0.44813806  0.85940837
   0.46485987  0.43080473  0.68181880
   0.19890059  0.36785602  0.70463373
   0.30943318  0.18444148 -0.05578284
   0.03368121  0.14101860  0.88722434
   0.11917745  0.52781657  0.08505453
   0.37023256  0.65716751  0.26289704
   0.09136804  0.79791457  0.05066598
   0.40382953  0.91536614  0.34891306
   0.41239309  0.87979004  0.15960544
   0.17094669  0.85536717  0.24712726
   0.30737485  0.65036658  0.46031281
   0.06185092  0.59148444  0.40487169
   0.13218380  0.58548858  0.60100058
   0.32189180  0.68852012  0.79181973
   0.07572871  0.82195443  0.50842948
   0.33840302  0.97196460  0.81405775
   0.44118278  0.90785439  0.63748571
   0.17524713  0.88340605  0.68388229
   0.30069149  0.65429976 -0.01885647
   0.06363885  0.62205541  0.90237140
   0.62017018  0.05520265  0.11203963
   0.81428270  0.19119923  0.28480182
   0.59604495  0.29228947  0.03782503
   0.83596954  0.43519774  0.36549630
   0.02298280  0.36125385  0.22566622
   0.77704632  0.39334226  0.15341830
   0.79871414  0.14167051  0.48341874
   0.54695627  0.10087305  0.43487630
   0.62107726  0.11863667  0.63075470
   0.81748322  0.19752203  0.78962168
   0.61705646  0.33659852  0.52480556
   0.87019976  0.44788050  0.84246634
   0.95647216  0.40898817  0.62378157
   0.72008600  0.43503475  0.70000607
   0.79023290  0.13655198  0.97858196
   0.54183920  0.07761455  0.91666268
   0.59138286  0.55029887  0.08385926
   0.86330696  0.67885687  0.28971802
   0.60189364  0.80432879  0.04143509
   0.83825228  0.94550149  0.35002391
   0.90471597  0.88955783  0.16998420
   0.66336658  0.83659307  0.22797564
   0.79734840  0.65943983  0.46380584
   0.55141772  0.57268142  0.39874057
   0.61511723  0.60370274  0.58597728
   0.86873086  0.68815701  0.77440017
   0.60446530  0.82047119  0.45964368
   0.89737650  0.95372243  0.84799339
   0.90832735  0.89319181  0.65520024
   0.67001900  0.89790525  0.74846534
   0.79227376  0.66560924  0.96862941
   0.54459771  0.61732424  0.89465847
   0.70023517  0.88409257  0.56846672
   0.63112018  0.86428053  0.39907471
   0.88619078  0.16271362  0.12741274
   0.75480881  0.41011915  0.40133217
   0.29706889  0.09813012  0.65828466
   0.21998051  0.69647224  0.78378366
  -0.00143598  1.08665897  0.12125942
   0.16443383  0.99071672 -0.01324025
   0.63251715  0.35206424  0.85637544
   0.89894884  0.47565017  0.66216089
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839751    0.304746   -0.173074
    -0.000000    9.843309   -0.268902
    -0.000000    0.000000   13.858353
   Si   O    H 
    32    64    10
Direct configuration=   486
   0.15833324  0.14156739 -0.02801530
   0.40652619  0.07010027  0.38877954
   0.13306770  0.37640839  0.13027645
   0.38319406  0.32406669  0.26165687
   0.13105492  0.15762184  0.49206083
   0.39722268  0.10859493  0.86225603
   0.11567511  0.41644146  0.61163823
   0.35705993  0.37057034  0.75195633
   0.14315209  0.64957256  0.00668040
   0.38659148  0.58410180  0.36966553
   0.06773154  0.88534181  0.15087721
   0.34163275  0.82783798  0.25700126
   0.14556237  0.66610449  0.49509932
   0.38044066  0.60269113  0.88410462
   0.05392938  0.91689529  0.60743047
   0.31384310  0.96721858  0.69950486
   0.63038264  0.13496145  1.00881668
   0.87186429  0.10724149  0.37295880
   0.61516807  0.39878424  0.12559036
   0.87877741  0.28369528  0.19719671
   0.64120126  0.16901196  0.51752420
   0.88409140  0.11143843  0.88228389
   0.61092407  0.44458950  0.61715462
   0.75209129  0.34963146  0.79786166
   0.62965755  0.65247849  0.00162864
   0.89721883  0.58761247  0.38015432
   0.57625655  0.89798911  0.13595864
   0.81921491  0.83756808  0.25674421
   0.63739076  0.65160451  0.47610697
   0.89585887  0.60703009  0.87374127
   0.60570331  0.94461390  0.64100137
   0.83568058  0.85347143  0.76225272
   0.09029287  0.04842960  0.14917591
   0.39576044  0.16574789  0.29543377
   0.10179075  0.26470931  0.04402773
   0.34438508  0.42166645  0.35644124
   0.53216241  0.37084732  0.22453337
   0.28362823  0.35386697  0.16999876
   0.28862317  0.08725296  0.47145055
   0.02981296  0.11288556  0.39643495
   0.07697651  0.06995494  0.58042693
   0.41227875  0.21405702  0.77903353
   0.15020037  0.30862295  0.52560524
   0.34072846  0.44877940  0.85844335
   0.46696670  0.43051916  0.68223569
   0.19764726  0.36959925  0.70464765
   0.30968481  0.18579983 -0.05674587
   0.03269954  0.14306540  0.88804873
   0.11932864  0.53038861  0.08542360
   0.37064266  0.65706346  0.26193523
   0.09231374  0.79676661  0.05160784
   0.40494995  0.91400287  0.34924447
   0.41386375  0.87857502  0.15949468
   0.17119117  0.85591256  0.24707254
   0.30705636  0.64899866  0.46152973
   0.06243549  0.58968033  0.40626331
   0.13373268  0.58816653  0.60135687
   0.32035390  0.68924816  0.79203656
   0.07472722  0.82188646  0.50782631
   0.33856014  0.96996351  0.81346572
   0.44003536  0.90943210  0.63672657
   0.17410542  0.88520507  0.68326557
   0.29975503  0.65578512 -0.01935693
   0.06396274  0.62254604  0.90195341
   0.61909143  0.05608359  0.11039552
   0.81597645  0.19128958  0.28404405
   0.59685514  0.29119919  0.03772162
   0.83697239  0.43353743  0.36604298
   0.02227117  0.36091739  0.22548656
   0.77592435  0.39481936  0.15271603
   0.79782510  0.14086802  0.48223992
   0.54837387  0.09935197  0.43465857
   0.62097606  0.11682541  0.62974603
   0.81772070  0.19590647  0.79019749
   0.61553501  0.33681866  0.52441034
   0.87044186  0.44791861  0.84294051
   0.95456929  0.40821687  0.62351434
   0.72212502  0.43488150  0.69963080
   0.79186394  0.13783282  0.97775262
   0.54082925  0.07791531  0.91345753
   0.59273534  0.55213718  0.08514342
   0.86256224  0.67889275  0.28994303
   0.60051008  0.80558931  0.04244240
   0.83914406  0.94493474  0.34873153
   0.90639419  0.88821249  0.16921456
   0.66180630  0.83695969  0.22803151
   0.79739984  0.65980971  0.46322134
   0.54845154  0.57265746  0.39902935
   0.61446052  0.60374662  0.58535344
   0.86828146  0.68936043  0.77409523
   0.60374218  0.81940112  0.46029792
   0.89751586  0.95303291  0.84778281
   0.90726279  0.89491217  0.65606771
   0.67105746  0.89516202  0.74857386
   0.79304392  0.66463784  0.96829462
   0.54327926  0.61738468  0.89580569
   0.69841255  0.88366450  0.57135563
   0.63000227  0.86468602  0.40250846
   0.88433058  0.17125670  0.12670850
   0.75983913  0.40955144  0.40312379
   0.29006401  0.09586630  0.65758934
   0.22297735  0.70385666  0.78465288
  -0.00226999  1.08456037  0.12618272
   0.16806582  0.99436574 -0.01312751
   0.62542133  0.35404699  0.85778972
   0.89534290  0.47038572  0.66626055
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841767    0.302971   -0.174128
    -0.000000    9.843346   -0.269628
    -0.000000    0.000000   13.858729
   Si   O    H 
    32    64    10
Direct configuration=   487
   0.15909681  0.14219080 -0.02727355
   0.40604806  0.07027521  0.38890289
   0.13337199  0.37601490  0.13052386
   0.38296565  0.32400795  0.26182306
   0.13178378  0.15763338  0.49158701
   0.39898827  0.10881195  0.86275478
   0.11487001  0.41756997  0.61226595
   0.35760142  0.36979215  0.75182046
   0.14180966  0.64955709  0.00725698
   0.38641204  0.58317448  0.36911901
   0.06769217  0.88496919  0.15103948
   0.34273633  0.82819315  0.25671184
   0.14557167  0.66355139  0.49520392
   0.37888795  0.60249581  0.88397916
   0.05382023  0.91613784  0.60701207
   0.31387300  0.96631688  0.69987607
   0.62968883  0.13487325  1.00904463
   0.87187557  0.10586185  0.37400857
   0.61480450  0.39858221  0.12601142
   0.87882003  0.28244114  0.19691817
   0.64043330  0.16866745  0.51724405
   0.88178751  0.11149409  0.88196374
   0.61061212  0.44522713  0.61787909
   0.75088442  0.35010497  0.79657370
   0.63000048  0.65353727  0.00148608
   0.89749108  0.58752985  0.37979716
   0.57612333  0.89789902  0.13638348
   0.81922517  0.83840109  0.25711303
   0.63821369  0.65231332  0.47535357
   0.89629281  0.60669908  0.87378370
   0.60536094  0.94702579  0.64231073
   0.83615914  0.85306793  0.76173231
   0.09016265  0.04764247  0.15057550
   0.39500237  0.16677473  0.29529970
   0.10207352  0.26592457  0.04371204
   0.34442747  0.42237359  0.35617244
   0.53195070  0.36963900  0.22435552
   0.28510159  0.35651783  0.17053790
   0.29000499  0.08703099  0.47028847
   0.02959113  0.11237329  0.39729489
   0.07733954  0.07100660  0.58047597
   0.41189280  0.21537576  0.77938560
   0.15107231  0.30775745  0.52685628
   0.34065404  0.44882601  0.85726803
   0.46844931  0.43059328  0.68237757
   0.19672213  0.37111600  0.70472762
   0.31035917  0.18708779 -0.05769943
   0.03331719  0.14512535  0.88922731
   0.12008091  0.53221073  0.08543592
   0.37110105  0.65697992  0.26111674
   0.09307892  0.79554335  0.05283470
   0.40555544  0.91319357  0.34937580
   0.41580062  0.87839604  0.15929585
   0.17161231  0.85671583  0.24676344
   0.30731674  0.64860023  0.46281681
   0.06218873  0.58798768  0.40789265
   0.13509391  0.59007862  0.60130014
   0.31929194  0.69069623  0.79241733
   0.07423321  0.82248269  0.50738548
   0.33909608  0.96869778  0.81354998
   0.43950867  0.91082077  0.63604531
   0.17347271  0.88696701  0.68249053
   0.29968685  0.65789009 -0.01974820
   0.06330045  0.62244792  0.90147157
   0.61764598  0.05591590  0.10912825
   0.81694468  0.19117035  0.28327036
   0.59722054  0.29073146  0.03752746
   0.83832770  0.43197000  0.36686414
   0.02190007  0.36043643  0.22446289
   0.77457184  0.39612364  0.15154980
   0.79721168  0.14025600  0.48014965
   0.55018354  0.09843559  0.43484362
   0.62093531  0.11529924  0.62834266
   0.81835610  0.19434273  0.79076291
   0.61422969  0.33696259  0.52398261
   0.87005439  0.44768045  0.84360918
   0.95201189  0.40791122  0.62321055
   0.72500387  0.43436550  0.69910767
   0.79346621  0.13865813  0.97695945
   0.54103493  0.07820879  0.91120513
   0.59354271  0.55378683  0.08652165
   0.86223905  0.68061763  0.28971163
   0.59905637  0.80639110  0.04274158
   0.84063281  0.94409876  0.34668699
   0.90771201  0.88729024  0.16845369
   0.66060641  0.83687710  0.22803842
   0.79899266  0.65987585  0.46324026
   0.54569238  0.57259864  0.39918900
   0.61473834  0.60422400  0.58526209
   0.86724777  0.68993443  0.77408938
   0.60308207  0.81796715  0.46068149
   0.89677014  0.95189774  0.84666310
   0.90653030  0.89660240  0.65675410
   0.67182434  0.89277873  0.74875521
   0.79370276  0.66311192  0.96737544
   0.54226845  0.61691340  0.89742727
   0.69577199  0.88052336  0.57501454
   0.62810620  0.86597298  0.40411435
   0.88481856  0.17658849  0.12205156
   0.76191519  0.41023231  0.40519866
   0.28619930  0.09487560  0.65609890
   0.22951689  0.71167444  0.78496704
  -0.00021791  1.08526229  0.13097610
   0.16862733  1.00337677 -0.01111599
   0.62096754  0.35342809  0.85514507
   0.89505549  0.46060198  0.66641832
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843420    0.301933   -0.174981
    -0.000000    9.843626   -0.269964
    -0.000000    0.000000   13.858662
   Si   O    H 
    32    64    10
Direct configuration=   488
   0.15951551  0.14369507 -0.02679415
   0.40566306  0.07031030  0.38918077
   0.13360897  0.37648905  0.13131287
   0.38324730  0.32358491  0.26196615
   0.13301078  0.15718440  0.49140850
   0.39995468  0.10840266  0.86304481
   0.11391455  0.41891239  0.61337903
   0.35727156  0.36928512  0.75206864
   0.14082652  0.64974302  0.00802227
   0.38585413  0.58233881  0.36870525
   0.06804973  0.88440213  0.15090303
   0.34345321  0.82874353  0.25667105
   0.14481998  0.66120131  0.49545373
   0.37783776  0.60260725  0.88363251
   0.05378698  0.91505692  0.60618122
   0.31372385  0.96538953  0.70023396
   0.62914213  0.13452963  1.00898458
   0.87110331  0.10478506  0.37540513
   0.61466613  0.39802358  0.12633931
   0.87918613  0.28068332  0.19647484
   0.63982133  0.16909944  0.51703515
   0.87960415  0.11206839  0.88196492
   0.60976003  0.44555509  0.61858956
   0.74995221  0.35085637  0.79519156
   0.63099028  0.65412338  0.00125030
   0.89778137  0.58741999  0.37926858
   0.57579451  0.89781618  0.13653305
   0.81884587  0.83912957  0.25751309
   0.63882023  0.65392523  0.47495532
   0.89698104  0.60636725  0.87389915
   0.60464259  0.94942151  0.64334234
   0.83685774  0.85309348  0.76067513
   0.08980956  0.04623283  0.15153023
   0.39361383  0.16751839  0.29450820
   0.10127167  0.26686622  0.04416212
   0.34384721  0.42325373  0.35640821
   0.53131381  0.36779982  0.22415278
   0.28639523  0.35920920  0.17088037
   0.29060880  0.08758369  0.46977189
   0.02912523  0.11216846  0.39773607
   0.07786248  0.07260419  0.58091875
   0.41134440  0.21710417  0.77968071
   0.15171047  0.30788041  0.52768500
   0.34037591  0.44894738  0.85583067
   0.46956346  0.43074539  0.68257540
   0.19667821  0.37219702  0.70533153
   0.31053317  0.18828839 -0.05820199
   0.03520630  0.14729453  0.89061149
   0.12029380  0.53355427  0.08523986
   0.37153876  0.65709484  0.26053074
   0.09326853  0.79352460  0.05392660
   0.40611083  0.91240730  0.34918007
   0.41792465  0.87780539  0.15888306
   0.17244333  0.85679884  0.24610618
   0.30716354  0.64831482  0.46322419
   0.06126987  0.58723424  0.40962380
   0.13687818  0.59156815  0.60095052
   0.32057541  0.69183818  0.79336505
   0.07371069  0.82212021  0.50640205
   0.33918524  0.96713914  0.81416058
   0.43866353  0.91216380  0.63562678
   0.17309745  0.88823620  0.68189060
   0.30008655  0.65991516 -0.02047506
   0.06182387  0.62288022  0.90153929
   0.61547858  0.05468007  0.10815246
   0.81740742  0.19160418  0.28255441
   0.59741390  0.28949346  0.03794471
   0.83972007  0.43023282  0.36728213
   0.02152090  0.35985140  0.22293558
   0.77375863  0.39680464  0.15099119
   0.79624242  0.13935022  0.47810219
   0.55177151  0.09769552  0.43522427
   0.62042719  0.11389094  0.62705983
   0.81861392  0.19330753  0.79142961
   0.61259042  0.33719672  0.52299885
   0.87000200  0.44742566  0.84399741
   0.95021406  0.40757142  0.62255284
   0.72824703  0.43379571  0.69838399
   0.79374642  0.13964938  0.97641646
   0.54182991  0.07802571  0.90931340
   0.59431915  0.55454016  0.08783076
   0.86237676  0.68280713  0.28923213
   0.59781210  0.80736519  0.04284397
   0.84206453  0.94377424  0.34441553
   0.90932624  0.88566402  0.16774013
   0.65908166  0.83707897  0.22748130
   0.80176247  0.65985898  0.46310188
   0.54277831  0.57267902  0.39899808
   0.61487966  0.60469764  0.58492222
   0.86660460  0.69162936  0.77442139
   0.60230608  0.81593217  0.46143654
   0.89586225  0.95069431  0.84629807
   0.90614154  0.89814779  0.65847879
   0.67382363  0.89091224  0.74833769
   0.79349105  0.66251267  0.96563627
   0.54117358  0.61673195  0.89888241
   0.69407356  0.87539363  0.57673603
   0.62940328  0.86765973  0.40424099
   0.88960460  0.17625088  0.11804165
   0.76171768  0.41298104  0.41082882
   0.28239499  0.09539300  0.65697582
   0.21859383  0.72386917  0.78650552
  -0.00044359  1.08919441  0.13233503
   0.17121823  1.00761169 -0.00804907
   0.62038630  0.34851525  0.84729591
   0.89272509  0.45380716  0.66706385
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844595    0.300591   -0.175505
    -0.000000    9.843754   -0.270753
    -0.000000    0.000000   13.858971
   Si   O    H 
    32    64    10
Direct configuration=   489
   0.15967158  0.14561456 -0.02592628
   0.40493791  0.06998919  0.38937444
   0.13314113  0.37721215  0.13201334
   0.38285793  0.32307680  0.26191524
   0.13424861  0.15677623  0.49108759
   0.40068674  0.10723535  0.86295105
   0.11294509  0.42047579  0.61430780
   0.35636019  0.36962951  0.75231393
   0.14011443  0.64950201  0.00816531
   0.38534893  0.58171595  0.36825808
   0.06862544  0.88399556  0.15057273
   0.34374646  0.82926021  0.25678228
   0.14411603  0.65933135  0.49580048
   0.37724273  0.60217707  0.88304373
   0.05336925  0.91390967  0.60558296
   0.31333542  0.96422528  0.70005160
   0.62860886  0.13436846  1.00869481
   0.87021995  0.10336212  0.37665644
   0.61475995  0.39794495  0.12682497
   0.87925453  0.27954018  0.19637884
   0.63965052  0.16962546  0.51690844
   0.87778700  0.11211356  0.88124711
   0.60891404  0.44555454  0.61884048
   0.74930985  0.35155824  0.79380400
   0.63231664  0.65452782  0.00057903
   0.89827164  0.58740677  0.37880675
   0.57543643  0.89737689  0.13644981
   0.81857253  0.84070789  0.25788097
   0.63924603  0.65602090  0.47499332
   0.89732422  0.60599433  0.87375493
   0.60391980  0.95176406  0.64462068
   0.83745049  0.85322484  0.75941772
   0.08919345  0.04523455  0.15232482
   0.39247921  0.16817950  0.29344264
   0.10002444  0.26715316  0.04457342
   0.34337563  0.42410483  0.35666116
   0.53116200  0.36602815  0.22411237
   0.28753406  0.36182750  0.17117017
   0.28967968  0.08895646  0.46915035
   0.02909276  0.11278723  0.39838627
   0.07815666  0.07424447  0.58129765
   0.41050641  0.21912608  0.77950372
   0.15132593  0.30894517  0.52892806
   0.34072653  0.44831123  0.85477543
   0.47088738  0.43096019  0.68220639
   0.19781978  0.37269957  0.70603252
   0.31038241  0.18878930 -0.05903686
   0.03770032  0.14925657  0.89227483
   0.12028392  0.53407826  0.08520613
   0.37110709  0.65777447  0.25979318
   0.09420065  0.79146250  0.05423717
   0.40708323  0.91126648  0.34903080
   0.41937416  0.87779535  0.15860198
   0.17382417  0.85662238  0.24532276
   0.30665520  0.64770370  0.46314044
   0.06002827  0.58642566  0.41094012
   0.13924535  0.59272821  0.60042785
   0.32147239  0.69287777  0.79421956
   0.07266604  0.82153370  0.50587737
   0.33885028  0.96559587  0.81445224
   0.43940666  0.91366996  0.63538284
   0.17293004  0.88941010  0.68172168
   0.30008053  0.66233430 -0.02096006
   0.06060207  0.62279450  0.90169545
   0.61313937  0.05335617  0.10691109
   0.81904134  0.19228711  0.28190880
   0.59699793  0.28760459  0.03869495
   0.84083799  0.42840943  0.36816004
   0.02115574  0.35891084  0.22127502
   0.77349039  0.39718175  0.15056146
   0.79570114  0.13801413  0.47587863
   0.55275415  0.09710047  0.43614344
   0.61912859  0.11313082  0.62496579
   0.81914050  0.19284010  0.79223050
   0.61107776  0.33708442  0.52210599
   0.87012458  0.44709685  0.84495240
   0.94851116  0.40649741  0.62153603
   0.73106769  0.43379732  0.69702962
   0.79349767  0.14063550  0.97613581
   0.54376601  0.07829572  0.90850099
   0.59388862  0.55463270  0.08836856
   0.86280996  0.68579335  0.28868001
   0.59659257  0.80818400  0.04279818
   0.84291974  0.94275265  0.34269896
   0.90970441  0.88410595  0.16700399
   0.65786020  0.83825164  0.22741054
   0.80385382  0.65874455  0.46291155
   0.54098823  0.57235052  0.39877528
   0.61470002  0.60554475  0.58379190
   0.86600230  0.69386186  0.77484650
   0.60230386  0.81382610  0.46221904
   0.89454085  0.94938126  0.84582275
   0.90604015  0.90026239  0.65976029
   0.67572360  0.88868926  0.74794427
   0.79343274  0.66163922  0.96382548
   0.54009370  0.61745155  0.90095026
   0.69290657  0.87111254  0.57702496
   0.62914031  0.86565238  0.40835560
   0.89101250  0.17731900  0.11320179
   0.76962611  0.41735660  0.41383119
   0.28024071  0.09526299  0.66062821
   0.21895668  0.72917575  0.78788730
   0.00277784  1.09159516  0.13159808
   0.17391352  1.00152125 -0.00429355
   0.62246529  0.34333086  0.83745276
   0.88508678  0.45127813  0.66938497
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845463    0.298573   -0.176232
    -0.000000    9.843857   -0.271207
    -0.000000    0.000000   13.859417
   Si   O    H 
    32    64    10
Direct configuration=   490
   0.15937500  0.14679469 -0.02530736
   0.40434982  0.06919990  0.38887573
   0.13328122  0.37750187  0.13224915
   0.38214999  0.32308428  0.26188704
   0.13506676  0.15566364  0.49111759
   0.40148245  0.10689370  0.86333166
   0.11196399  0.42235363  0.61453727
   0.35619665  0.36989926  0.75254389
   0.13981045  0.64954121  0.00796831
   0.38477982  0.58124434  0.36746302
   0.06935225  0.88323153  0.15101150
   0.34354867  0.83010771  0.25715467
   0.14316978  0.65811252  0.49609765
   0.37629804  0.60225139  0.88281600
   0.05234357  0.91312528  0.60553181
   0.31277869  0.96371547  0.69934627
   0.62806927  0.13485637  1.00797685
   0.86997360  0.10227831  0.37732809
   0.61416603  0.39779980  0.12767022
   0.87936750  0.27868499  0.19600502
   0.63995861  0.16970353  0.51657923
   0.87632610  0.11217446  0.88051243
   0.60776592  0.44543427  0.61891383
   0.74981031  0.35169585  0.79218348
   0.63393240  0.65494653 -0.00012437
   0.89781734  0.58720827  0.37834117
   0.57510191  0.89704478  0.13654081
   0.81798816  0.84161455  0.25873484
   0.63968496  0.65835480  0.47476789
   0.89750399  0.60592521  0.87342959
   0.60330629  0.95337010  0.64629149
   0.83747557  0.85423695  0.75817116
   0.08898466  0.04473244  0.15285135
   0.39156334  0.16825176  0.29193817
   0.09873423  0.26812807  0.04534255
   0.34253927  0.42490766  0.35628571
   0.53172012  0.36446164  0.22396119
   0.28795394  0.36453812  0.17141570
   0.28858140  0.09039371  0.46871150
   0.02986707  0.11422266  0.39877809
   0.07802739  0.07534363  0.58226159
   0.40968722  0.22104077  0.77857734
   0.15145948  0.31012823  0.53039847
   0.34133615  0.44725248  0.85413057
   0.47141254  0.43177056  0.68144223
   0.19944285  0.37239490  0.70653682
   0.31034618  0.18976948 -0.05921520
   0.04075363  0.15194679  0.89423323
   0.12081954  0.53412321  0.08513776
   0.37039221  0.65834005  0.25873966
   0.09562144  0.78929076  0.05469310
   0.40863231  0.91064052  0.34868387
   0.41941078  0.87797933  0.15924889
   0.17423704  0.85589603  0.24436858
   0.30587627  0.64743261  0.46291791
   0.05856471  0.58460986  0.41188689
   0.14123202  0.59379549  0.60003584
   0.32232589  0.69398771  0.79483037
   0.07275671  0.82055877  0.50547126
   0.33853624  0.96483801  0.81533547
   0.43960934  0.91519462  0.63527888
   0.17239037  0.89061260  0.68171053
   0.30031657  0.66331431 -0.02116481
   0.05995673  0.62283427  0.90180769
   0.61039435  0.05109928  0.10533297
   0.82097272  0.19313816  0.28148639
   0.59697577  0.28680715  0.03976601
   0.84202340  0.42757011  0.36902398
   0.02102770  0.35771754  0.21949141
   0.77369402  0.39704611  0.15092511
   0.79416700  0.13682099  0.47357700
   0.55381513  0.09720972  0.43742926
   0.61845066  0.11250303  0.62285434
   0.81894315  0.19315298  0.79234396
   0.60975806  0.33816689  0.52166888
   0.87106038  0.44608939  0.84563115
   0.94676701  0.40599467  0.62019960
   0.73306019  0.43338835  0.69547496
   0.79245108  0.14066140  0.97615825
   0.54572556  0.07887228  0.90740200
   0.59358667  0.55349125  0.08917841
   0.86320394  0.68863387  0.28831065
   0.59609838  0.80793084  0.04301691
   0.84363751  0.94272501  0.34216461
   0.90947562  0.88191516  0.16552152
   0.65755220  0.83935515  0.22729905
   0.80552997  0.65742530  0.46266656
   0.53932499  0.57198178  0.39826287
   0.61436454  0.60598096  0.58298456
   0.86612361  0.69604523  0.77501723
   0.60131396  0.81206272  0.46273335
   0.89205862  0.94768814  0.84565751
   0.90632334  0.90185200  0.66121078
   0.67665193  0.88692060  0.74701109
   0.79313528  0.66092658  0.96284211
   0.53934962  0.61815772  0.90226000
   0.69069103  0.86703503  0.57827868
   0.63019637  0.86398360  0.41128658
   0.89260105  0.17971860  0.11024601
   0.77535704  0.41767454  0.41969402
   0.27901534  0.09653912  0.66270301
   0.23015501  0.72551903  0.78866331
   0.00688318  1.09666073  0.13180934
   0.17883231  0.99650568  0.00030615
   0.62342737  0.33605426  0.83171112
   0.88315646  0.44471870  0.67052741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846416    0.296602   -0.177043
    -0.000000    9.844356   -0.271995
    -0.000000    0.000000   13.859543
   Si   O    H 
    32    64    10
Direct configuration=   491
   0.15946787  0.14832405 -0.02449804
   0.40369138  0.06839891  0.38755365
   0.13338340  0.37817010  0.13258553
   0.38194050  0.32383940  0.26202695
   0.13622796  0.15448718  0.49068256
   0.40190040  0.10627321  0.86300904
   0.11072862  0.42404277  0.61476783
   0.35642372  0.37007875  0.75244228
   0.14015529  0.64970405  0.00820052
   0.38449618  0.58117768  0.36660582
   0.07028083  0.88230147  0.15158290
   0.34323860  0.83018499  0.25748134
   0.14242684  0.65731461  0.49618444
   0.37451545  0.60215060  0.88236056
   0.05162659  0.91233725  0.60542496
   0.31257274  0.96308796  0.69875882
   0.62784047  0.13502604  1.00718254
   0.86978439  0.10174425  0.37787503
   0.61345464  0.39770740  0.12833439
   0.87933225  0.27790165  0.19560623
   0.64044994  0.16909579  0.51639722
   0.87525108  0.11202741  0.87992760
   0.60683143  0.44559944  0.61924739
   0.75063000  0.35143717  0.79071580
   0.63547332  0.65555577 -0.00022414
   0.89829198  0.58681430  0.37790057
   0.57450078  0.89691273  0.13651732
   0.81704428  0.84190008  0.25911530
   0.64014775  0.66009070  0.47459632
   0.89770541  0.60602603  0.87326262
   0.60323305  0.95483916  0.64779623
   0.83727101  0.85510568  0.75703383
   0.08921118  0.04513683  0.15309603
   0.39017489  0.16932815  0.29081255
   0.09826305  0.27010989  0.04661499
   0.34204062  0.42531834  0.35592422
   0.53184094  0.36262252  0.22398905
   0.28765625  0.36692964  0.17188184
   0.28709905  0.09182662  0.46817336
   0.03064312  0.11594574  0.39891255
   0.07739653  0.07633132  0.58342575
   0.40929415  0.22264738  0.77750821
   0.15212216  0.31198311  0.53147304
   0.34181577  0.44695662  0.85395648
   0.47167399  0.43294106  0.68069168
   0.20312802  0.37194970  0.70742245
   0.31080602  0.19073132 -0.05927581
   0.04236149  0.15407453  0.89614977
   0.12153725  0.53372964  0.08496314
   0.36980992  0.65999670  0.25776361
   0.09727998  0.78770137  0.05532197
   0.40971961  0.91064117  0.34825024
   0.41924423  0.87736936  0.16009140
   0.17432454  0.85467354  0.24321308
   0.30505250  0.64721784  0.46217226
   0.05717032  0.58332911  0.41227791
   0.14259743  0.59381783  0.60003271
   0.32415492  0.69458603  0.79536462
   0.07279672  0.82013799  0.50532133
   0.33901785  0.96438569  0.81633042
   0.44056481  0.91593949  0.63520993
   0.17130170  0.89203154  0.68230575
   0.30089072  0.66349629 -0.02093375
   0.05915081  0.62262745  0.90207979
   0.60840849  0.04857433  0.10394124
   0.82278141  0.19375456  0.28145653
   0.59684973  0.28592453  0.04076114
   0.84313046  0.42730947  0.36991981
   0.02181572  0.35661778  0.21757314
   0.77423297  0.39576030  0.15134046
   0.79276138  0.13644603  0.47196288
   0.55453801  0.09618381  0.43765521
   0.61763360  0.11179796  0.62120594
   0.81896427  0.19494871  0.79230945
   0.60919502  0.33876030  0.52115149
   0.87142228  0.44547440  0.84660352
   0.94553109  0.40623002  0.61868152
   0.73457024  0.43293000  0.69455002
   0.79043715  0.14061735  0.97605201
   0.54826279  0.07944466  0.90633644
   0.59384681  0.55265787  0.09037444
   0.86353539  0.69042301  0.28854058
   0.59496415  0.80741201  0.04321184
   0.84398330  0.94307229  0.34215374
   0.90890564  0.87996087  0.16458156
   0.65755110  0.84013646  0.22707696
   0.80675495  0.65622945  0.46215716
   0.53928378  0.57159246  0.39767687
   0.61402498  0.60582686  0.58182604
   0.86649057  0.69795320  0.77524334
   0.60078589  0.81002520  0.46290947
   0.89062615  0.94586990  0.84533052
   0.90736710  0.90319551  0.66259814
   0.67705566  0.88550437  0.74499590
   0.79366033  0.66000234  0.96168168
   0.53895955  0.61886023  0.90344132
   0.68819743  0.86683039  0.57820770
   0.63161083  0.86203837  0.41152991
   0.89433271  0.18443827  0.11016390
   0.78144657  0.42007533  0.42578917
   0.27890983  0.09720373  0.66665573
   0.23935728  0.72415078  0.79076548
   0.01083237  1.10435807  0.13081095
   0.18456440  0.99914547  0.00222404
   0.61739239  0.32995852  0.83019347
   0.88852629  0.43801194  0.66796381
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847230    0.294232   -0.177417
    -0.000000    9.845002   -0.272923
    -0.000000    0.000000   13.860142
   Si   O    H 
    32    64    10
Direct configuration=   492
   0.15991252  0.14950454 -0.02428921
   0.40290476  0.06800609  0.38664323
   0.13308470  0.37932516  0.13284442
   0.38117074  0.32452152  0.26233615
   0.13772117  0.15326990  0.49026629
   0.40158840  0.10667226  0.86259273
   0.10935759  0.42568243  0.61503555
   0.35684075  0.37002916  0.75255154
   0.14019307  0.64919537  0.00846823
   0.38372364  0.58112947  0.36542064
   0.07105890  0.88234531  0.15208620
   0.34335329  0.83003124  0.25710978
   0.14191620  0.65641255  0.49660745
   0.37275362  0.60244363  0.88194118
   0.05079253  0.91138156  0.60510821
   0.31229195  0.96258197  0.69818320
   0.62789471  0.13447264  1.00647288
   0.86994476  0.10124425  0.37817711
   0.61333920  0.39765550  0.12851511
   0.87877944  0.27793738  0.19515054
   0.64118134  0.16937626  0.51633705
   0.87544809  0.11164021  0.87936771
   0.60556951  0.44576801  0.61957166
   0.75119294  0.35066121  0.78963298
   0.63720520  0.65597643 -0.00042525
   0.89856131  0.58727352  0.37750508
   0.57415306  0.89719386  0.13649337
   0.81627661  0.84238047  0.25869164
   0.64081575  0.66140871  0.47469404
   0.89855613  0.60576048  0.87313757
   0.60396184  0.95632420  0.64935929
   0.83693952  0.85577473  0.75639474
   0.09022313  0.04574540  0.15324449
   0.38869815  0.17001776  0.29051926
   0.09831585  0.27150943  0.04706292
   0.34136880  0.42488552  0.35482776
   0.53293520  0.36045086  0.22407910
   0.28759277  0.36945910  0.17273146
   0.28569255  0.09314158  0.46682325
   0.03204757  0.11801466  0.39885756
   0.07606746  0.07655232  0.58462034
   0.40946848  0.22371850  0.77711106
   0.15303366  0.31380543  0.53216418
   0.34216472  0.44684430  0.85381192
   0.47070276  0.43443281  0.67991836
   0.20719060  0.37110305  0.70829085
   0.31194850  0.19112420 -0.05877131
   0.04282321  0.15551915  0.89786142
   0.12176188  0.53276335  0.08478793
   0.36936297  0.66194733  0.25691940
   0.09837939  0.78711504  0.05690651
   0.41104266  0.91032622  0.34794890
   0.41910088  0.87758668  0.16109370
   0.17505410  0.85238411  0.24237867
   0.30439893  0.64697271  0.46181766
   0.05567239  0.58139350  0.41237150
   0.14400173  0.59279216  0.60015304
   0.32727306  0.69357039  0.79504108
   0.07235278  0.81893459  0.50602309
   0.34017790  0.96308138  0.81752131
   0.44129424  0.91644909  0.63551743
   0.16997837  0.89326270  0.68336203
   0.30078257  0.66318894 -0.02067720
   0.05802957  0.62123249  0.90242138
   0.60635583  0.04679064  0.10236247
   0.82461752  0.19381725  0.28171726
   0.59648747  0.28554001  0.04168487
   0.84432828  0.42780228  0.37078743
   0.02238841  0.35596106  0.21574500
   0.77508330  0.39447783  0.15234779
   0.79055793  0.13603225  0.47024733
   0.55426773  0.09476271  0.43786662
   0.61675048  0.11157922  0.61976888
   0.81898914  0.19682706  0.79199244
   0.60871356  0.33878001  0.52128813
   0.87172920  0.44503690  0.84678694
   0.94500421  0.40646143  0.61676362
   0.73535317  0.43283204  0.69325622
   0.78870317  0.14098562  0.97610534
   0.55101842  0.07988325  0.90615168
   0.59418590  0.55277539  0.09078194
   0.86368162  0.69164914  0.28902281
   0.59466507  0.80746406  0.04309147
   0.84428145  0.94456533  0.34253563
   0.90671165  0.87743441  0.16429500
   0.65810329  0.84083908  0.22734202
   0.80787513  0.65489693  0.46138624
   0.54009579  0.57060738  0.39780579
   0.61413623  0.60539366  0.58066907
   0.86692856  0.69890593  0.77564736
   0.59904943  0.80894458  0.46321970
   0.88880937  0.94522634  0.84504243
   0.90866614  0.90396761  0.66345140
   0.67761385  0.88445173  0.74243937
   0.79425249  0.65898991  0.96081417
   0.53892112  0.61983118  0.90500985
   0.68599047  0.86976345  0.57915833
   0.63169485  0.86558533  0.41081103
   0.89686030  0.19113268  0.11092029
   0.78985171  0.41804291  0.42870054
   0.27789864  0.09995787  0.67100304
   0.22419478  0.72810916  0.79172940
   0.01611456  1.10651729  0.12993418
   0.19054436  1.00522811  0.00567876
   0.60947198  0.32648296  0.83028659
   0.88935936  0.43821456  0.66988742
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847980    0.291889   -0.177747
    -0.000000    9.845651   -0.273609
    -0.000000    0.000000   13.860723
   Si   O    H 
    32    64    10
Direct configuration=   493
   0.16071121  0.15028113 -0.02391318
   0.40252368  0.06798786  0.38565823
   0.13414973  0.38033648  0.13290118
   0.38130221  0.32596613  0.26271079
   0.13817428  0.15230842  0.48985226
   0.40164659  0.10649392  0.86183162
   0.10739072  0.42751530  0.61522807
   0.35785256  0.37040002  0.75253547
   0.14063843  0.64778188  0.00875573
   0.38308586  0.58172525  0.36462673
   0.07133609  0.88257277  0.15234726
   0.34328977  0.82984331  0.25675328
   0.14156355  0.65640692  0.49679659
   0.37053191  0.60230453  0.88183484
   0.04954251  0.91101280  0.60451082
   0.31232038  0.96240054  0.69828649
   0.62751152  0.13349141  1.00610997
   0.87057688  0.10097041  0.37777034
   0.61333279  0.39772081  0.12908674
   0.87791659  0.27803869  0.19515029
   0.64209143  0.16981317  0.51620920
   0.87637505  0.11005090  0.87892627
   0.60395028  0.44640635  0.61964126
   0.75232739  0.35041981  0.78925930
   0.63849154  0.65676852 -0.00050499
   0.89865811  0.58742800  0.37658271
   0.57431025  0.89762821  0.13651514
   0.81521305  0.84302196  0.25847277
   0.64165485  0.66247692  0.47490601
   0.89940264  0.60613799  0.87293129
   0.60474000  0.95715487  0.65055057
   0.83658502  0.85602021  0.75595286
   0.09056631  0.04564524  0.15370737
   0.38664545  0.17008035  0.29051586
   0.09773228  0.27257222  0.04722887
   0.34090763  0.42352064  0.35390632
   0.53367605  0.35881017  0.22409275
   0.28761937  0.37147095  0.17339748
   0.28533160  0.09341697  0.46478115
   0.03439936  0.11993575  0.39898994
   0.07482418  0.07610844  0.58571946
   0.41029518  0.22330718  0.77708843
   0.15458801  0.31517158  0.53254441
   0.34213908  0.44621940  0.85403478
   0.46964032  0.43666651  0.67889858
   0.21077996  0.37081852  0.70848716
   0.31280962  0.19104385 -0.05853555
   0.04208753  0.15637524  0.89931322
   0.12203536  0.53148541  0.08516771
   0.36852010  0.66365817  0.25646149
   0.09864050  0.78770601  0.05869578
   0.41194853  0.91068709  0.34765249
   0.41939270  0.87762100  0.16181889
   0.17542312  0.85104327  0.24187029
   0.30404572  0.64726590  0.46091627
   0.05417305  0.58025807  0.41252327
   0.14519703  0.59084452  0.60062128
   0.32969378  0.69343718  0.79387038
   0.07202961  0.81683150  0.50671200
   0.34089530  0.96268287  0.81863219
   0.44252799  0.91710309  0.63537709
   0.16911785  0.89346869  0.68491017
   0.30127158  0.66237483 -0.01985830
   0.05714709  0.62004336  0.90264284
   0.60511390  0.04539689  0.10071886
   0.82654006  0.19371698  0.28240013
   0.59635188  0.28601968  0.04235938
   0.84543461  0.42885580  0.37140836
   0.02275755  0.35496714  0.21458949
   0.77563704  0.39368364  0.15325232
   0.78864394  0.13478356  0.46913819
   0.55336037  0.09319442  0.43758521
   0.61726301  0.11145128  0.61901195
   0.81922129  0.19853391  0.79123141
   0.60871502  0.33898370  0.52202889
   0.87166387  0.44459765  0.84705212
   0.94539057  0.40711299  0.61446533
   0.73525167  0.43253605  0.69109602
   0.78648210  0.14147897  0.97571478
   0.55372339  0.08058495  0.90622248
   0.59457444  0.55331750  0.09102970
   0.86413710  0.69232597  0.28989141
   0.59486289  0.80676748  0.04249430
   0.84448238  0.94660159  0.34327462
   0.90438166  0.87465402  0.16410826
   0.65828627  0.84096139  0.22768985
   0.80854327  0.65340704  0.46093875
   0.54221104  0.57016571  0.39755543
   0.61408687  0.60520701  0.57917781
   0.86733647  0.69966231  0.77627335
   0.59806816  0.80843948  0.46365116
   0.88694318  0.94487859  0.84552439
   0.91046796  0.90448730  0.66358970
   0.67692935  0.88354026  0.73993335
   0.79481362  0.65796654  0.96049741
   0.53913147  0.62112446  0.90635710
   0.68002026  0.87907491  0.57923538
   0.63182086  0.86555232  0.41255618
   0.89673126  0.19387442  0.11119205
   0.79927167  0.41314811  0.42924218
   0.27744761  0.10296009  0.67440646
   0.22255480  0.73044260  0.79263101
   0.02235191  1.10533365  0.12864783
   0.19459433  1.00997071  0.00833165
   0.60826738  0.32812549  0.82797342
   0.89206424  0.44159056  0.67306204
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848765    0.288802   -0.177949
    -0.000000    9.846230   -0.274094
    -0.000000    0.000000   13.860759
   Si   O    H 
    32    64    10
Direct configuration=   494
   0.16166333  0.15067241 -0.02358230
   0.40219676  0.06856503  0.38473599
   0.13535856  0.38145693  0.13312294
   0.38147713  0.32723318  0.26298733
   0.13800255  0.15175496  0.49033026
   0.40234175  0.10636729  0.86109046
   0.10589410  0.42894457  0.61567212
   0.35917365  0.37123686  0.75292017
   0.14106283  0.64673359  0.00874250
   0.38282394  0.58204911  0.36419242
   0.07073871  0.88267586  0.15271466
   0.34320665  0.82959777  0.25605930
   0.14095363  0.65668100  0.49684373
   0.36901587  0.60204999  0.88206653
   0.04766630  0.91113887  0.60402314
   0.31232967  0.96292194  0.69851795
   0.62722256  0.13270624  1.00623917
   0.87109734  0.10062874  0.37743502
   0.61257062  0.39774062  0.12973546
   0.87705824  0.27845688  0.19513093
   0.64206597  0.17089275  0.51625385
   0.87752401  0.10878283  0.87844157
   0.60276248  0.44724372  0.61949156
   0.75327248  0.35042908  0.78938021
   0.63946918  0.65684782 -0.00082755
   0.89836523  0.58796225  0.37533173
   0.57420222  0.89789294  0.13652430
   0.81484486  0.84348767  0.25811509
   0.64172816  0.66299455  0.47507900
   0.89973873  0.60654191  0.87254360
   0.60567073  0.95744366  0.65177343
   0.83640044  0.85674828  0.75582242
   0.09158182  0.04486810  0.15371461
   0.38534418  0.17046017  0.29029722
   0.09738613  0.27343215  0.04754044
   0.34060543  0.42178361  0.35334770
   0.53430311  0.35772179  0.22443017
   0.28756174  0.37283613  0.17344376
   0.28501471  0.09381041  0.46268629
   0.03652424  0.12235398  0.39933229
   0.07408936  0.07592329  0.58627611
   0.41122314  0.22211289  0.77726643
   0.15610269  0.31622666  0.53249824
   0.34265619  0.44546668  0.85425734
   0.46847645  0.43892704  0.67839365
   0.21298240  0.37057897  0.70840715
   0.31326628  0.19053324 -0.05852231
   0.03984967  0.15662634  0.90004047
   0.12167945  0.52897863  0.08594487
   0.36739646  0.66462885  0.25679483
   0.09870118  0.78766965  0.06066337
   0.41252055  0.91105239  0.34729039
   0.41999783  0.87747649  0.16273898
   0.17583312  0.84995926  0.24136180
   0.30348740  0.64689936  0.45979592
   0.05344022  0.57890994  0.41270718
   0.14542669  0.58839007  0.60064798
   0.32981101  0.69374295  0.79264034
   0.07188265  0.81447721  0.50724266
   0.34184578  0.96150228  0.81971462
   0.44378280  0.91770891  0.63565919
   0.16876651  0.89195360  0.68596458
   0.30131589  0.66172936 -0.01929878
   0.05677434  0.61890330  0.90261954
   0.60401493  0.04442418  0.09922965
   0.82882513  0.19318790  0.28333984
   0.59703448  0.28727518  0.04256559
   0.84710849  0.42941138  0.37116215
   0.02352821  0.35384855  0.21324043
   0.77612949  0.39313978  0.15435678
   0.78651287  0.13497764  0.46862509
   0.55173145  0.09195856  0.43749193
   0.61690329  0.11095276  0.61846002
   0.81928475  0.19980448  0.79058899
   0.60865792  0.33840727  0.52303859
   0.87143170  0.44428632  0.84756990
   0.94573621  0.40854898  0.61244677
   0.73475727  0.43190129  0.68927801
   0.78508682  0.14233871  0.97522444
   0.55534025  0.08152962  0.90644571
   0.59507206  0.55369227  0.09073757
   0.86438859  0.69283098  0.29011788
   0.59552385  0.80574304  0.04200382
   0.84390610  0.94826330  0.34374112
   0.90219169  0.87180557  0.16387542
   0.65875366  0.84111308  0.22875086
   0.80954615  0.65208016  0.46077477
   0.54504971  0.57014437  0.39727365
   0.61451811  0.60463557  0.57775091
   0.86741880  0.69980619  0.77693965
   0.59713151  0.80904314  0.46377555
   0.88514349  0.94563087  0.84635790
   0.91248473  0.90503541  0.66388461
   0.67590113  0.88243708  0.73783982
   0.79555154  0.65635657  0.96049110
   0.53915811  0.62162927  0.90781995
   0.67315811  0.88662422  0.57589754
   0.63219935  0.86554658  0.41615554
   0.89526274  0.19126151  0.11104091
   0.80342123  0.40655638  0.43357455
   0.27640957  0.10404596  0.67773734
   0.23822603  0.72769779  0.79169008
   0.02157085  1.10816117  0.12330518
   0.19251537  1.01743447  0.00851992
   0.61358697  0.33078238  0.82604813
   0.90002882  0.44476989  0.67161252
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850099    0.286036   -0.177742
    -0.000000    9.846652   -0.274904
    -0.000000    0.000000   13.861138
   Si   O    H 
    32    64    10
Direct configuration=   495
   0.16244095  0.15149235 -0.02321604
   0.40274569  0.06934206  0.38382921
   0.13630434  0.38213196  0.13319976
   0.38190177  0.32815031  0.26347787
   0.13748814  0.15154850  0.49093271
   0.40281424  0.10651540  0.86033657
   0.10530716  0.42964451  0.61632634
   0.36090676  0.37228485  0.75295235
   0.14110292  0.64516581  0.00820512
   0.38316369  0.58302111  0.36434223
   0.06942661  0.88257889  0.15302317
   0.34246334  0.82969118  0.25554228
   0.14019272  0.65728376  0.49656861
   0.36788644  0.60182930  0.88212438
   0.04638583  0.91109722  0.60384979
   0.31229832  0.96385185  0.69901164
   0.62787349  0.13196145  1.00674805
   0.87246043  0.10088845  0.37713016
   0.61162847  0.39809411  0.13006235
   0.87586172  0.27916377  0.19511124
   0.64185552  0.17232509  0.51598610
   0.87835333  0.10799961  0.87768307
   0.60214452  0.44836798  0.61928873
   0.75407146  0.35056318  0.78978247
   0.64017059  0.65577688 -0.00127384
   0.89830269  0.58893520  0.37407369
   0.57368511  0.89832676  0.13655663
   0.81444337  0.84403018  0.25758856
   0.64250171  0.66254927  0.47507141
   0.89990615  0.60704857  0.87215571
   0.60569050  0.95751271  0.65251499
   0.83670582  0.85713437  0.75623924
   0.09246610  0.04442373  0.15383176
   0.38435927  0.17006903  0.28994033
   0.09725244  0.27322270  0.04786424
   0.34023070  0.42000836  0.35330702
   0.53471498  0.35579071  0.22464618
   0.28784630  0.37323193  0.17303063
   0.28426474  0.09377339  0.46071213
   0.03744388  0.12448078  0.39970024
   0.07318052  0.07532182  0.58632734
   0.41201626  0.22051564  0.77742005
   0.15700683  0.31643052  0.53287151
   0.34252401  0.44512496  0.85430698
   0.46749275  0.44071660  0.67782132
   0.21281551  0.37121799  0.70810642
   0.31350644  0.19017901 -0.05823444
   0.03706865  0.15619238  0.90035840
   0.12165597  0.52696912  0.08628329
   0.36591777  0.66538194  0.25694742
   0.09873157  0.78780554  0.06214151
   0.41293966  0.91132712  0.34660204
   0.42008014  0.87749340  0.16339452
   0.17604864  0.84884702  0.24090930
   0.30226693  0.64649998  0.45893779
   0.05199720  0.57707434  0.41320113
   0.14513462  0.58584762  0.60108042
   0.33032997  0.69463560  0.79035931
   0.07120503  0.81222449  0.50738471
   0.34359145  0.96090857  0.82060676
   0.44455084  0.91841485  0.63622406
   0.16957061  0.88901613  0.68690132
   0.30073594  0.66190537 -0.01877892
   0.05681887  0.61813147  0.90243657
   0.60358993  0.04350494  0.09869211
   0.83101096  0.19253213  0.28440298
   0.59761416  0.28901714  0.04296176
   0.84776328  0.42988199  0.37135085
   0.02381600  0.35217022  0.21228357
   0.77692168  0.39311244  0.15600898
   0.78472076  0.13498096  0.46879062
   0.54980496  0.09018852  0.43733356
   0.61716003  0.11082526  0.61782365
   0.81999631  0.20126698  0.78987055
   0.60859488  0.33867100  0.52385348
   0.87048914  0.44434844  0.84768339
   0.94491075  0.41044004  0.61080340
   0.73473163  0.43161737  0.68749973
   0.78331671  0.14317870  0.97482518
   0.55631060  0.08289028  0.90653085
   0.59605115  0.55460360  0.09106287
   0.86527840  0.69298425  0.28973353
   0.59630599  0.80417804  0.04141893
   0.84361719  0.94988209  0.34458513
   0.90036596  0.86849146  0.16336820
   0.65913237  0.84130775  0.22992984
   0.80961332  0.65095822  0.46077925
   0.54806037  0.57017481  0.39691588
   0.61531106  0.60333151  0.57678109
   0.86726541  0.70012017  0.77818296
   0.59627808  0.81039605  0.46430887
   0.88451419  0.94635862  0.84809851
   0.91466055  0.90529270  0.66447748
   0.67502574  0.88221338  0.73584302
   0.79636748  0.65478095  0.96022784
   0.53994860  0.62127839  0.90891683
   0.66893697  0.89329062  0.57029639
   0.63346531  0.87159136  0.41742393
   0.89288493  0.18882445  0.11205800
   0.80916227  0.40197879  0.43291002
   0.27065805  0.10621257  0.67990793
   0.24409500  0.73054622  0.79165662
   0.02266303  1.10669680  0.11906544
   0.18719018  1.02376134  0.00868724
   0.62194215  0.33667057  0.82331720
   0.90560370  0.44646134  0.66853421
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851548    0.282883   -0.177199
    -0.000000    9.846638   -0.275047
    -0.000000    0.000000   13.861174
   Si   O    H 
    32    64    10
Direct configuration=   496
   0.16304977  0.15218255 -0.02308015
   0.40396507  0.06987203  0.38273293
   0.13722515  0.38288795  0.13328637
   0.38223116  0.32859702  0.26319434
   0.13662842  0.15139829  0.49127136
   0.40346217  0.10644861  0.85970228
   0.10572573  0.42975982  0.61670389
   0.36270715  0.37324914  0.75270491
   0.14056239  0.64365103  0.00694174
   0.38384005  0.58377609  0.36489525
   0.06876694  0.88190817  0.15370838
   0.34170620  0.82962541  0.25509522
   0.13993245  0.65790484  0.49565788
   0.36745165  0.60196859  0.88218028
   0.04621927  0.91153774  0.60418429
   0.31202073  0.96492166  0.69967792
   0.62870087  0.13096631  1.00697484
   0.87442097  0.10173861  0.37662485
   0.61095597  0.39880196  0.13024580
   0.87490887  0.27973011  0.19498218
   0.64063978  0.17337040  0.51613099
   0.87987205  0.10776424  0.87728478
   0.60221219  0.44941294  0.61908725
   0.75536587  0.35031848  0.79026712
   0.64072099  0.65394705 -0.00143595
   0.89783647  0.58968778  0.37326317
   0.57217125  0.89791939  0.13639049
   0.81427107  0.84446913  0.25772039
   0.64323619  0.66141149  0.47450415
   0.89936303  0.60738875  0.87132669
   0.60539769  0.95772142  0.65255609
   0.83636408  0.85735412  0.75708474
   0.09335691  0.04491864  0.15358657
   0.38217980  0.16915528  0.28962474
   0.09683001  0.27324941  0.04865266
   0.33940804  0.41938274  0.35347905
   0.53502415  0.35366355  0.22507148
   0.28868675  0.37325114  0.17280468
   0.28316934  0.09407506  0.45878851
   0.03887501  0.12621815  0.40014750
   0.07147856  0.07463553  0.58630925
   0.41299566  0.21827070  0.77777771
   0.15712628  0.31557303  0.53295905
   0.34350346  0.44407314  0.85503989
   0.46656574  0.44194033  0.67753756
   0.21215990  0.37289622  0.70724278
   0.31373875  0.18947612 -0.05779627
   0.03442288  0.15494030  0.90032760
   0.12095824  0.52507183  0.08659050
   0.36470377  0.66594746  0.25736787
   0.09863318  0.78794167  0.06326676
   0.41375065  0.91086266  0.34549368
   0.41924937  0.87756556  0.16429002
   0.17693162  0.84797777  0.24127519
   0.30179627  0.64687030  0.45758423
   0.05115707  0.57514232  0.41319299
   0.14503126  0.58350601  0.60122997
   0.33150368  0.69484325  0.78798828
   0.07058801  0.81069069  0.50780907
   0.34496668  0.96027582  0.82118240
   0.44583377  0.91896443  0.63702441
   0.16999510  0.88569548  0.68674967
   0.30062933  0.66224197 -0.01860038
   0.05679396  0.61805312  0.90311626
   0.60307004  0.04323117  0.09798941
   0.83356760  0.19179161  0.28481754
   0.59819492  0.29060375  0.04333147
   0.84810347  0.43081197  0.37142061
   0.02389818  0.35075043  0.21179352
   0.77765540  0.39277944  0.15779607
   0.78232751  0.13476663  0.46852134
   0.54746053  0.08816527  0.43675069
   0.61690934  0.11128089  0.61782442
   0.81978918  0.20278287  0.78935895
   0.60853018  0.33938585  0.52496499
   0.86928334  0.44540108  0.84782275
   0.94480780  0.41105676  0.60955145
   0.73441221  0.43139738  0.68554075
   0.78170726  0.14377243  0.97446019
   0.55740065  0.08458817  0.90655945
   0.59769273  0.55517976  0.09131960
   0.86594759  0.69237044  0.28968198
   0.59786300  0.80291870  0.04092742
   0.84262991  0.95148132  0.34508897
   0.89904823  0.86532077  0.16260113
   0.65836966  0.84160187  0.23179890
   0.80918085  0.65042200  0.46045607
   0.55057002  0.57075905  0.39605366
   0.61635099  0.60177536  0.57608187
   0.86730398  0.70045949  0.77959815
   0.59474002  0.81184735  0.46463273
   0.88343016  0.94721673  0.84967750
   0.91620354  0.90540451  0.66500117
   0.67515597  0.88121976  0.73458099
   0.79748074  0.65404583  0.96066338
   0.54002482  0.62024819  0.90986159
   0.66695925  0.90108750  0.56636900
   0.63478623  0.87512778  0.41973070
   0.89291714  0.18385423  0.11523063
   0.81513514  0.40105582  0.42841376
   0.26900969  0.10304253  0.67909483
   0.23314662  0.73811490  0.78983687
   0.02459880  1.10224868  0.11868473
   0.18407772  1.01850746  0.00940370
   0.62249372  0.34320711  0.82298244
   0.90803880  0.45057954  0.66979155
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852942    0.279574   -0.176921
    -0.000000    9.846442   -0.274607
    -0.000000    0.000000   13.861225
   Si   O    H 
    32    64    10
Direct configuration=   497
   0.16354782  0.15317412 -0.02302450
   0.40465341  0.07033598  0.38186900
   0.13753696  0.38320525  0.13331802
   0.38241016  0.32889073  0.26305231
   0.13547970  0.15157809  0.49192999
   0.40377104  0.10716737  0.85920409
   0.10619581  0.42974534  0.61682947
   0.36450972  0.37395268  0.75182258
   0.14063790  0.64232916  0.00596391
   0.38443910  0.58459616  0.36526341
   0.06791112  0.88180166  0.15465746
   0.34049338  0.82924417  0.25437680
   0.13968779  0.65803664  0.49479660
   0.36726873  0.60284059  0.88251942
   0.04678547  0.91146647  0.60456634
   0.31185455  0.96554606  0.70018157
   0.62940361  0.13037846  1.00743893
   0.87648591  0.10261985  0.37597069
   0.60992314  0.39923566  0.13058873
   0.87422463  0.27986897  0.19515886
   0.64016880  0.17481375  0.51593125
   0.88104043  0.10754961  0.87722122
   0.60244567  0.45072961  0.61843467
   0.75689892  0.34999784  0.79064275
   0.64116839  0.65249452 -0.00121872
   0.89681207  0.59035585  0.37212497
   0.57116122  0.89690273  0.13645773
   0.81471597  0.84490349  0.25760257
   0.64475220  0.66022571  0.47311216
   0.89837631  0.60768623  0.87036787
   0.60508551  0.95842119  0.65188123
   0.83574648  0.85717365  0.75776075
   0.09308684  0.04512668  0.15328477
   0.38009718  0.16822878  0.28966359
   0.09739451  0.27348256  0.04941479
   0.33866692  0.41944016  0.35403772
   0.53456448  0.35202181  0.22569086
   0.28988927  0.37266340  0.17269671
   0.28210279  0.09487770  0.45660301
   0.03951686  0.12719625  0.40016417
   0.07073334  0.07403799  0.58605959
   0.41377489  0.21589013  0.77831061
   0.15643168  0.31452343  0.53240234
   0.34414305  0.44394991  0.85636077
   0.46603029  0.44328603  0.67702696
   0.21087788  0.37447784  0.70637499
   0.31456112  0.18863708 -0.05736690
   0.03205240  0.15401307  0.90023568
   0.11966487  0.52383970  0.08658236
   0.36389808  0.66610228  0.25863752
   0.09916016  0.78691674  0.06413030
   0.41377492  0.90984669  0.34472554
   0.41883784  0.87683557  0.16518882
   0.17841462  0.84634652  0.24179835
   0.30100243  0.64718199  0.45699822
   0.05097998  0.57321855  0.41335352
   0.14481799  0.58169307  0.60095715
   0.33224351  0.69552406  0.78601743
   0.06943896  0.80912384  0.50825410
   0.34567330  0.95985344  0.82220782
   0.44627215  0.91956913  0.63853208
   0.16957208  0.88258442  0.68631724
   0.29999544  0.66299767 -0.01835254
   0.05679935  0.61796055  0.90379580
   0.60309577  0.04252117  0.09767296
   0.83520821  0.19076203  0.28516941
   0.59864129  0.29160111  0.04347737
   0.84821438  0.43258438  0.37067206
   0.02404779  0.34943359  0.21166561
   0.77783753  0.39254146  0.15902654
   0.78001384  0.13485225  0.46830887
   0.54480723  0.08691321  0.43590119
   0.61633505  0.11274861  0.61811575
   0.82021615  0.20377779  0.78851880
   0.60867441  0.33976685  0.52596458
   0.86776560  0.44757460  0.84747995
   0.94599327  0.41181090  0.60863173
   0.73316881  0.43161335  0.68374779
   0.78074296  0.14372447  0.97382800
   0.55801802  0.08654208  0.90639763
   0.59903828  0.55668572  0.09175855
   0.86729526  0.69128057  0.28955179
   0.59895977  0.80218678  0.04042127
   0.84190430  0.95249132  0.34517946
   0.89786830  0.86302581  0.16204013
   0.65744493  0.84195480  0.23395324
   0.80770000  0.65026328  0.46001817
   0.55276259  0.57059978  0.39485960
   0.61693133  0.59982950  0.57552201
   0.86798939  0.70097082  0.78036710
   0.59356764  0.81295052  0.46506433
   0.88282659  0.94770675  0.85094503
   0.91761052  0.90611530  0.66518100
   0.67571857  0.87980886  0.73381711
   0.79866023  0.65352840  0.96102982
   0.53917433  0.61990369  0.91035953
   0.67044736  0.90837004  0.56501172
   0.63287139  0.87783772  0.42268379
   0.89112617  0.17778133  0.11869572
   0.81752406  0.39479886  0.43205407
   0.27142880  0.10224756  0.67685211
   0.23627388  0.74118883  0.78726194
   0.02608404  1.09748390  0.12018372
   0.18584789  1.00935258  0.00995950
   0.61927587  0.35214861  0.82568285
   0.90605104  0.45471977  0.67202076
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854455    0.276331   -0.176318
    -0.000000    9.846242   -0.274476
    -0.000000    0.000000   13.861460
   Si   O    H 
    32    64    10
Direct configuration=   498
   0.16411741  0.15440090 -0.02265302
   0.40516215  0.07047168  0.38104928
   0.13780585  0.38260777  0.13335191
   0.38259027  0.32928414  0.26275926
   0.13462547  0.15226055  0.49269227
   0.40397086  0.10776610  0.85895040
   0.10649736  0.42966916  0.61701356
   0.36602523  0.37429924  0.75083883
   0.14038095  0.64125896  0.00528752
   0.38482768  0.58484284  0.36532211
   0.06670494  0.88201283  0.15531029
   0.33991979  0.82885328  0.25407355
   0.13972417  0.65816708  0.49413462
   0.36708477  0.60436749  0.88332735
   0.04796293  0.91186746  0.60496544
   0.31188998  0.96612914  0.70056245
   0.62991608  0.13047433  1.00788607
   0.87883503  0.10348465  0.37570526
   0.60940740  0.39963072  0.13114177
   0.87416515  0.27992197  0.19541280
   0.63900233  0.17660656  0.51550168
   0.88256656  0.10691497  0.87726562
   0.60283274  0.45186051  0.61779150
   0.75831179  0.35001213  0.79110182
   0.64144858  0.65115578 -0.00123460
   0.89560101  0.59090763  0.37110879
   0.56997994  0.89584551  0.13677822
   0.81598059  0.84504952  0.25760207
   0.64563931  0.65909360  0.47143946
   0.89720537  0.60846029  0.86968602
   0.60451536  0.95840741  0.65104171
   0.83593231  0.85710177  0.75899993
   0.09320294  0.04537225  0.15344176
   0.37773264  0.16742126  0.28920448
   0.09860255  0.27296054  0.04982383
   0.33786373  0.42035355  0.35471894
   0.53380466  0.35072007  0.22593840
   0.29125189  0.37152763  0.17252026
   0.28154978  0.09611786  0.45464810
   0.03943774  0.12758982  0.40005808
   0.06995075  0.07380439  0.58557053
   0.41403822  0.21328078  0.77830627
   0.15564187  0.31369781  0.53164784
   0.34476333  0.44435836  0.85738307
   0.46576168  0.44491400  0.67676386
   0.20942708  0.37715629  0.70526773
   0.31427592  0.18842768 -0.05729241
   0.02994709  0.15345971  0.90085642
   0.11864543  0.52347602  0.08638978
   0.36320821  0.66503180  0.26025380
   0.09992620  0.78560700  0.06427504
   0.41371398  0.90950060  0.34397004
   0.41818811  0.87647346  0.16527853
   0.17933344  0.84517487  0.24218468
   0.29946336  0.64706443  0.45582780
   0.05048510  0.57162639  0.41351973
   0.14460506  0.58058790  0.60081706
   0.33235897  0.69662512  0.78441945
   0.06875372  0.80809665  0.50810552
   0.34624098  0.95962989  0.82260830
   0.44593081  0.91954075  0.63982105
   0.16887579  0.87972693  0.68609055
   0.29934015  0.66228016 -0.01803209
   0.05751224  0.61762087  0.90445122
   0.60269925  0.04187724  0.09804014
   0.83584145  0.19063436  0.28521005
   0.59808987  0.29213870  0.04323388
   0.84875077  0.43364441  0.37029528
   0.02485378  0.34713945  0.21132692
   0.77761199  0.39244547  0.16043842
   0.77799947  0.13580457  0.46786161
   0.54245568  0.08607109  0.43510241
   0.61610046  0.11416624  0.61892285
   0.82046723  0.20447678  0.78830720
   0.60871434  0.33928885  0.52711205
   0.86633047  0.44987244  0.84756747
   0.94649706  0.41304075  0.60791237
   0.73155092  0.43111402  0.68284679
   0.78049264  0.14321664  0.97301964
   0.55801807  0.08751576  0.90644341
   0.60127174  0.55929994  0.09171910
   0.86834521  0.69065230  0.28941153
   0.60010847  0.80131241  0.04018474
   0.84157736  0.95236578  0.34464232
   0.89744175  0.86137152  0.16138570
   0.65627386  0.84225084  0.23580632
   0.80633052  0.65007121  0.45947637
   0.55550150  0.57032297  0.39373914
   0.61779641  0.59794675  0.57511986
   0.86930191  0.70158960  0.78079596
   0.59227485  0.81342891  0.46468832
   0.88262973  0.94768051  0.85202490
   0.91869992  0.90617604  0.66534898
   0.67617680  0.87834199  0.73399959
   0.79951567  0.65373638  0.96187187
   0.53775086  0.61950431  0.91111692
   0.67672340  0.91365840  0.56255073
   0.63014137  0.87930353  0.42508938
   0.88622979  0.17118983  0.12196456
   0.82358644  0.39041009  0.43228374
   0.27376993  0.10351376  0.67559925
   0.24688233  0.73754063  0.78305650
   0.01698233  1.10364118  0.11980127
   0.18743424  1.00267443  0.00795862
   0.61422430  0.35974605  0.83185336
   0.90437697  0.45445737  0.66823791
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855651    0.272735   -0.176075
    -0.000000    9.846134   -0.274235
    -0.000000    0.000000   13.861764
   Si   O    H 
    32    64    10
Direct configuration=   499
   0.16445310  0.15542801 -0.02195006
   0.40531555  0.07029148  0.38018713
   0.13846416  0.38155464  0.13352121
   0.38277691  0.32982722  0.26245944
   0.13477834  0.15331865  0.49366009
   0.40485282  0.10783549  0.85884493
   0.10764101  0.42917137  0.61661921
   0.36647136  0.37497985  0.75027533
   0.13983128  0.63955800  0.00487620
   0.38518861  0.58459166  0.36545686
   0.06596791  0.88246618  0.15684572
   0.33879876  0.82845762  0.25406278
   0.13990061  0.65806695  0.49330355
   0.36733372  0.60614854  0.88452755
   0.04894296  0.91229720  0.60509345
   0.31211480  0.96709543  0.70065130
   0.62995021  0.13088970  1.00816776
   0.88056813  0.10489635  0.37598996
   0.60916429  0.39962420  0.13130895
   0.87482763  0.27950940  0.19586471
   0.63724514  0.17787288  0.51503639
   0.88350557  0.10665078  0.87740479
   0.60292737  0.45317728  0.61739032
   0.75938421  0.35077680  0.79102629
   0.64142033  0.64959089 -0.00111147
   0.89478943  0.59110505  0.37054473
   0.56939805  0.89461951  0.13678862
   0.81723712  0.84496766  0.25793829
   0.64593881  0.65769992  0.46968355
   0.89569812  0.60872009  0.86922138
   0.60364338  0.95848913  0.64973809
   0.83565438  0.85737606  0.76022393
   0.09301311  0.04542348  0.15352855
   0.37563389  0.16669673  0.28830796
   0.10035373  0.27170620  0.04968853
   0.33734459  0.42133773  0.35557335
   0.53295343  0.34935482  0.22556073
   0.29219073  0.37090209  0.17270532
   0.28092772  0.09748432  0.45380041
   0.03906725  0.12886729  0.40023755
   0.06961460  0.07368130  0.58496813
   0.41508988  0.21132171  0.77766312
   0.15533738  0.31288866  0.53135691
   0.34538204  0.44433240  0.85832585
   0.46506110  0.44618305  0.67644108
   0.20804894  0.37904707  0.70455540
   0.31392972  0.18801208 -0.05694147
   0.02846778  0.15315615  0.90119178
   0.11850918  0.52362960  0.08583548
   0.36261591  0.66415005  0.26148095
   0.10004899  0.78362522  0.06427628
   0.41293939  0.90944451  0.34316784
   0.41772223  0.87724070  0.16523657
   0.17972211  0.84394701  0.24234411
   0.29816213  0.64681734  0.45504963
   0.05051209  0.57043456  0.41356722
   0.14498012  0.58009799  0.60103816
   0.33332678  0.69659507  0.78304185
   0.06767468  0.80786551  0.50820744
   0.34611484  0.95997283  0.82306039
   0.44515118  0.91965360  0.64181949
   0.16858923  0.87783745  0.68616170
   0.29858136  0.66160436 -0.01757334
   0.05841653  0.61692068  0.90516130
   0.60292525  0.04142911  0.09837050
   0.83617327  0.19194092  0.28550816
   0.59762222  0.29229500  0.04245496
   0.84870108  0.43498708  0.36990901
   0.02608540  0.34491221  0.21150339
   0.77558051  0.39228665  0.16166604
   0.77706736  0.13743851  0.46783438
   0.54042677  0.08562667  0.43452641
   0.61530811  0.11599759  0.61915150
   0.82126338  0.20385157  0.78783394
   0.60859862  0.33898829  0.52812026
   0.86496776  0.45240933  0.84816635
   0.94640803  0.41408296  0.60716017
   0.73016353  0.43051583  0.68283721
   0.78027187  0.14257534  0.97203190
   0.55897920  0.08887643  0.90659267
   0.60280639  0.56187085  0.09162013
   0.86950467  0.69137479  0.28863312
   0.60141752  0.80067330  0.04034413
   0.84138918  0.95170419  0.34407919
   0.89700783  0.85996643  0.16082642
   0.65483526  0.84225307  0.23763617
   0.80493449  0.64903781  0.45938702
   0.55816624  0.56958476  0.39231717
   0.61922900  0.59668009  0.57466014
   0.86985548  0.70167176  0.78181845
   0.59077192  0.81402381  0.46427130
   0.88262665  0.94790716  0.85325030
   0.91891905  0.90566285  0.66600086
   0.67653550  0.87728628  0.73519819
   0.80060456  0.65452506  0.96266852
   0.53676089  0.61808081  0.91208902
   0.68381383  0.91846268  0.56410990
   0.62847948  0.87501632  0.42529470
   0.88432577  0.16621612  0.12480600
   0.82987882  0.39334461  0.42722535
   0.27672485  0.10503289  0.67162782
   0.24493702  0.73965561  0.77710977
   0.01334148  1.10546265  0.12518017
   0.18881400  1.00148952  0.00555098
   0.61472929  0.36543869  0.83755286
   0.90052432  0.45236600  0.66310023
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856937    0.269245   -0.175837
    -0.000000    9.845848   -0.274541
    -0.000000    0.000000   13.862097
   Si   O    H 
    32    64    10
Direct configuration=   500
   0.16430667  0.15564631 -0.02143829
   0.40478331  0.07024806  0.37919074
   0.13883031  0.38055295  0.13393546
   0.38297945  0.33008327  0.26161316
   0.13518412  0.15423553  0.49468192
   0.40591134  0.10811950  0.85906052
   0.10873622  0.42851351  0.61598963
   0.36665066  0.37518316  0.74975119
   0.13932922  0.63832272  0.00514902
   0.38600873  0.58430850  0.36545636
   0.06528414  0.88353447  0.15844046
   0.33804139  0.82767817  0.25389829
   0.14006865  0.65733925  0.49227823
   0.36834131  0.60785173  0.88535704
   0.05025761  0.91286227  0.60519845
   0.31239536  0.96801394  0.70026661
   0.62959614  0.13159011  1.00873760
   0.88285093  0.10688510  0.37647841
   0.60980403  0.39941925  0.13127011
   0.87514104  0.27846107  0.19621026
   0.63543774  0.17820920  0.51418173
   0.88419920  0.10618924  0.87774424
   0.60303147  0.45389392  0.61744290
   0.76051614  0.35204467  0.79123610
   0.64149047  0.64811705 -0.00075841
   0.89396961  0.59055994  0.37049223
   0.56867252  0.89352033  0.13665463
   0.81832557  0.84502444  0.25833414
   0.64644448  0.65624719  0.46853718
   0.89473755  0.60811169  0.86892141
   0.60282279  0.95843278  0.64834215
   0.83512466  0.85789418  0.76118496
   0.09260118  0.04598118  0.15376972
   0.37400568  0.16652051  0.28738934
   0.10273089  0.27079255  0.04867811
   0.33684497  0.42236287  0.35674382
   0.53307013  0.34794162  0.22581732
   0.29278612  0.37045106  0.17246934
   0.27997756  0.09876167  0.45351463
   0.03858786  0.13057849  0.40037542
   0.06989752  0.07431864  0.58427444
   0.41592352  0.21065523  0.77644783
   0.15530917  0.31240832  0.53065148
   0.34531877  0.44411849  0.85900544
   0.46294587  0.44720113  0.67631161
   0.20721397  0.38060091  0.70384811
   0.31395896  0.18701948 -0.05713631
   0.02793654  0.15324256  0.90130588
   0.11885120  0.52415959  0.08506642
   0.36231999  0.66227124  0.26262953
   0.10034531  0.78223838  0.06398247
   0.41159122  0.91006192  0.34208298
   0.41591617  0.87752041  0.16468444
   0.17950282  0.84356217  0.24245363
   0.29661915  0.64718573  0.45452519
   0.05050311  0.56943817  0.41334580
   0.14521909  0.58043010  0.60053839
   0.33441086  0.69591430  0.78158910
   0.06705418  0.80798824  0.50796221
   0.34517360  0.96035493  0.82360911
   0.44371902  0.91950029  0.64454020
   0.16909931  0.87671336  0.68610479
   0.29722102  0.66067951 -0.01705445
   0.05867434  0.61683158  0.90528853
   0.60406589  0.04143683  0.09882364
   0.83675508  0.19318998  0.28561599
   0.59713402  0.29168572  0.04181532
   0.84889299  0.43708191  0.36934603
   0.02734597  0.34352222  0.21114037
   0.77320381  0.39335715  0.16304816
   0.77723030  0.13887231  0.46739720
   0.53907127  0.08621812  0.43468409
   0.61459607  0.11854879  0.61976646
   0.82260406  0.20297775  0.78700854
   0.60825543  0.33878126  0.52926030
   0.86304587  0.45474766  0.84873094
   0.94574943  0.41462463  0.60723444
   0.72932437  0.42949100  0.68357032
   0.78103535  0.14245086  0.97115546
   0.55939927  0.08912049  0.90675112
   0.60340902  0.56348244  0.09191021
   0.87035101  0.69221676  0.28817989
   0.60286507  0.80058284  0.04033083
   0.84137499  0.95082582  0.34331023
   0.89683259  0.85901390  0.15943152
   0.65204044  0.84307372  0.23859240
   0.80346114  0.64831662  0.45955666
   0.55916225  0.56881789  0.39052388
   0.62168140  0.59632514  0.57457065
   0.87075687  0.70190349  0.78296530
   0.58889708  0.81391070  0.46439834
   0.88278225  0.94808754  0.85477399
   0.91799392  0.90496434  0.66660996
   0.67668589  0.87659008  0.73656065
   0.80170702  0.65548426  0.96315367
   0.53536254  0.61773347  0.91209450
   0.69178783  0.92184096  0.56773489
   0.63056162  0.88068216  0.42219897
   0.88240638  0.16280332  0.12476522
   0.83231147  0.39545832  0.42900072
   0.27506726  0.10494577  0.66861954
   0.23898183  0.74386908  0.77278258
   0.01527632  1.10247888  0.13090929
   0.19057949  1.00667225  0.00027074
   0.62236120  0.37030395  0.84114696
   0.89310771  0.44946659  0.65952562
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857971    0.265445   -0.175388
    -0.000000    9.845552   -0.275364
    -0.000000    0.000000   13.862284
   Si   O    H 
    32    64    10
Direct configuration=   501
   0.16395919  0.15574268 -0.02119125
   0.40389613  0.07074201  0.37814234
   0.13892460  0.37997165  0.13433008
   0.38312092  0.33039535  0.26139734
   0.13573898  0.15527339  0.49563381
   0.40763542  0.10858140  0.85968454
   0.11009753  0.42790749  0.61550138
   0.36656178  0.37550679  0.74949157
   0.13905562  0.63730787  0.00589424
   0.38668003  0.58372240  0.36545629
   0.06472401  0.88444012  0.15948055
   0.33737800  0.82716672  0.25399779
   0.13998921  0.65572767  0.49129849
   0.36990836  0.60916865  0.88595729
   0.05182174  0.91352646  0.60537475
   0.31229976  0.96862794  0.70017616
   0.62952486  0.13257697  1.00919545
   0.88468554  0.10867699  0.37743965
   0.61150213  0.39989723  0.13133332
   0.87539929  0.27751355  0.19645325
   0.63349275  0.17854750  0.51336378
   0.88489139  0.10607739  0.87797622
   0.60279526  0.45428742  0.61727405
   0.76154797  0.35313439  0.79126998
   0.64127962  0.64690770 -0.00041932
   0.89324326  0.58934996  0.37028217
   0.56847076  0.89255208  0.13626449
   0.81939398  0.84529120  0.25836311
   0.64626718  0.65512986  0.46737634
   0.89440062  0.60773760  0.86931966
   0.60250649  0.95896988  0.64687083
   0.83461594  0.85867497  0.76150802
   0.09218913  0.04688944  0.15457571
   0.37288676  0.16663108  0.28629408
   0.10450409  0.27061758  0.04742278
   0.33677085  0.42368599  0.35766845
   0.53351973  0.34676482  0.22586250
   0.29288147  0.37004817  0.17163609
   0.27780842  0.10033344  0.45365486
   0.03930283  0.13193035  0.40045827
   0.07009802  0.07550985  0.58359822
   0.41664696  0.21183385  0.77514354
   0.15448636  0.31143127  0.52956555
   0.34515618  0.44430385  0.85974072
   0.46138825  0.44784461  0.67524795
   0.20662259  0.38129957  0.70328341
   0.31391792  0.18658078 -0.05756906
   0.02829752  0.15371676  0.90167732
   0.11890195  0.52539799  0.08445498
   0.36210302  0.66070749  0.26354228
   0.10034503  0.78043349  0.06367312
   0.41018541  0.91144923  0.34099322
   0.41425074  0.87800724  0.16332476
   0.17845833  0.84285672  0.24331514
   0.29526236  0.64810949  0.45347215
   0.05047829  0.56826051  0.41277844
   0.14576109  0.58170029  0.59984890
   0.33513544  0.69525186  0.78047668
   0.06615591  0.80904516  0.50733790
   0.34450549  0.96028573  0.82257752
   0.44278042  0.91921989  0.64690420
   0.17032155  0.87660707  0.68653007
   0.29598894  0.66008027 -0.01694979
   0.05843454  0.61681795  0.90502726
   0.60505403  0.04117618  0.10006513
   0.83716913  0.19432964  0.28614037
   0.59654625  0.29078005  0.04084349
   0.84898453  0.43941201  0.36831594
   0.02866851  0.34291091  0.21060279
   0.77086042  0.39440008  0.16426314
   0.77783369  0.13977170  0.46661507
   0.53891454  0.08676725  0.43556161
   0.61469647  0.12120169  0.62059284
   0.82400882  0.20178054  0.78603127
   0.60832991  0.33867945  0.53010739
   0.86144873  0.45645415  0.84889088
   0.94562365  0.41516308  0.60693948
   0.72918259  0.42869146  0.68546725
   0.78223508  0.14240483  0.97063224
   0.56014463  0.08927118  0.90668015
   0.60415391  0.56511342  0.09276445
   0.87134987  0.69368629  0.28733369
   0.60427550  0.80049828  0.04017722
   0.84077939  0.94995370  0.34282668
   0.89662858  0.85886067  0.15841246
   0.64995102  0.84384849  0.23951768
   0.80202310  0.64753496  0.46003551
   0.55940621  0.56800636  0.38824595
   0.62384723  0.59636934  0.57459536
   0.87203462  0.70208706  0.78377876
   0.58811414  0.81388465  0.46434997
   0.88233656  0.94738650  0.85624336
   0.91705119  0.90403073  0.66680059
   0.67603220  0.87651518  0.73822255
   0.80207422  0.65666354  0.96341029
   0.53415328  0.61727668  0.91130582
   0.70058660  0.92322503  0.57036913
   0.62933273  0.88278233  0.42255236
   0.88127758  0.16314395  0.12450167
   0.82935299  0.39827351  0.43215032
   0.27462732  0.10557325  0.66527027
   0.24221993  0.74290924  0.77297420
   0.02025379  1.09950442  0.13389242
   0.18924230  1.02047305 -0.00376702
   0.63563377  0.37039797  0.84517342
   0.88059733  0.44660951  0.65690640
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859214    0.262569   -0.175569
    -0.000000    9.844531   -0.276283
    -0.000000    0.000000   13.862601
   Si   O    H 
    32    64    10
Direct configuration=   502
   0.16398547  0.15562130 -0.02128668
   0.40320279  0.07018084  0.37703144
   0.13914882  0.37901931  0.13438003
   0.38344826  0.33082231  0.26084731
   0.13669756  0.15667347  0.49621455
   0.40979747  0.10875806  0.86051270
   0.11124636  0.42661726  0.61502833
   0.36615383  0.37626641  0.74987520
   0.13864031  0.63674425  0.00657001
   0.38785427  0.58311839  0.36520726
   0.06457025  0.88550687  0.16006269
   0.33649562  0.82610177  0.25386546
   0.13964610  0.65358385  0.49077954
   0.37181867  0.61015064  0.88635543
   0.05368027  0.91399738  0.60521366
   0.31180206  0.96879537  0.70040276
   0.62942908  0.13355796  1.00963885
   0.88540339  0.11020652  0.37835093
   0.61286290  0.40047228  0.13126393
   0.87580977  0.27663283  0.19686979
   0.63171855  0.17866945  0.51274310
   0.88491837  0.10574992  0.87819424
   0.60210123  0.45479140  0.61733523
   0.76200161  0.35389922  0.79114305
   0.64095372  0.64615484 -0.00017943
   0.89245628  0.58845715  0.37035893
   0.56895062  0.89139974  0.13559214
   0.81965664  0.84522305  0.25857544
   0.64502265  0.65464510  0.46618870
   0.89456422  0.60685185  0.87053407
   0.60139744  0.95927404  0.64543185
   0.83475141  0.85892630  0.76209687
   0.09247953  0.04742562  0.15565309
   0.37198242  0.16657611  0.28464566
   0.10626395  0.27036422  0.04706436
   0.33660403  0.42499649  0.35801126
   0.53380765  0.34583255  0.22553838
   0.29244960  0.37006543  0.17095538
   0.27623478  0.10160229  0.45408302
   0.03962059  0.13280323  0.40094984
   0.06961746  0.07583063  0.58248287
   0.41716911  0.21353904  0.77430617
   0.15335941  0.31077291  0.52840629
   0.34478154  0.44542324  0.86074184
   0.45932472  0.44843190  0.67440727
   0.20549061  0.38112019  0.70281088
   0.31363766  0.18641597 -0.05811154
   0.02929288  0.15386261  0.90245862
   0.11977089  0.52619032  0.08411337
   0.36189250  0.65947396  0.26465909
   0.10023338  0.77922510  0.06357150
   0.40919281  0.91228646  0.33988445
   0.41197140  0.87763397  0.16160830
   0.17716259  0.84226011  0.24461207
   0.29420397  0.64967182  0.45213144
   0.05077811  0.56783559  0.41189983
   0.14626711  0.58325481  0.59856356
   0.33532510  0.69433891  0.77985023
   0.06520499  0.80925190  0.50723504
   0.34506764  0.96003516  0.82163625
   0.44267418  0.91867294  0.64864265
   0.17082671  0.87783912  0.68691626
   0.29541056  0.65948852 -0.01682677
   0.05805097  0.61627847  0.90461269
   0.60660614  0.04119514  0.10094644
   0.83680613  0.19590737  0.28684550
   0.59621832  0.29007169  0.04052306
   0.84854690  0.43928304  0.36762320
   0.02957601  0.34261202  0.21031403
   0.76889180  0.39562602  0.16506931
   0.77825180  0.14015708  0.46599457
   0.53997054  0.08820224  0.43677762
   0.61437655  0.12356709  0.62108896
   0.82488188  0.20024524  0.78525581
   0.60797430  0.33860751  0.53124067
   0.86037557  0.45726253  0.84865893
   0.94582010  0.41589040  0.60733730
   0.73006643  0.42826081  0.68722184
   0.78355115  0.14191314  0.97046495
   0.56096409  0.08846367  0.90723277
   0.60417434  0.56455314  0.09310888
   0.87222816  0.69516583  0.28627988
   0.60547686  0.80064722  0.03998340
   0.84064499  0.94927033  0.34282332
   0.89740603  0.85934736  0.15748472
   0.64829335  0.84502434  0.23980064
   0.80098299  0.64693202  0.46020229
   0.55924202  0.56727637  0.38633768
   0.62607026  0.59689651  0.57465146
   0.87279115  0.70317841  0.78354148
   0.58700426  0.81388645  0.46372613
   0.88194548  0.94644618  0.85767894
   0.91645122  0.90405399  0.66658708
   0.67449215  0.87712172  0.74000837
   0.80204270  0.65712142  0.96301502
   0.53274477  0.61725946  0.91051267
   0.70789945  0.92117259  0.57217036
   0.62248595  0.87867931  0.42269202
   0.87696763  0.16677116  0.12392755
   0.82272109  0.40384745  0.42922565
   0.27576498  0.10222538  0.66366800
   0.25176845  0.73778993  0.77386047
   0.01553812  1.10521381  0.13341594
   0.18726744  1.02703086 -0.00496638
   0.64795173  0.37208091  0.84624881
   0.86804797  0.44272416  0.65290122
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860385    0.259745   -0.176109
    -0.000000    9.843330   -0.277426
    -0.000000    0.000000   13.862941
   Si   O    H 
    32    64    10
Direct configuration=   503
   0.16392000  0.15498295 -0.02160078
   0.40261480  0.06962243  0.37571591
   0.13946735  0.37922591  0.13449702
   0.38283670  0.33092239  0.26088756
   0.13807209  0.15824545  0.49662488
   0.41159828  0.10902947  0.86126045
   0.11198903  0.42531160  0.61411523
   0.36610587  0.37672584  0.75036027
   0.13749031  0.63720300  0.00708040
   0.38893675  0.58229506  0.36508824
   0.06466381  0.88648660  0.16061751
   0.33559010  0.82558109  0.25368866
   0.13974769  0.65202967  0.49063663
   0.37358720  0.61067500  0.88657131
   0.05497002  0.91540317  0.60493670
   0.31090603  0.96904308  0.70094599
   0.62902017  0.13444051  1.00919048
   0.88572593  0.11165829  0.37943614
   0.61428942  0.40118465  0.13135710
   0.87568419  0.27585558  0.19672132
   0.63036469  0.17899117  0.51222398
   0.88416694  0.10608141  0.87826529
   0.60163325  0.45500692  0.61687906
   0.76231898  0.35443366  0.79118562
   0.64042386  0.64551335 -0.00028942
   0.89227307  0.58784869  0.37049760
   0.56875401  0.89011706  0.13528005
   0.81945007  0.84416618  0.25864085
   0.64341833  0.65502103  0.46503870
   0.89494327  0.60578525  0.87209180
   0.60059138  0.95915077  0.64403190
   0.83438282  0.85953285  0.76221209
   0.09319651  0.04762242  0.15661769
   0.37108904  0.16681408  0.28340411
   0.10812909  0.26977914  0.04699455
   0.33662496  0.42632416  0.35806803
   0.53435603  0.34470162  0.22497397
   0.29191183  0.36983301  0.17013412
   0.27563188  0.10234284  0.45427753
   0.04004180  0.13362429  0.40105270
   0.06937639  0.07631182  0.58159746
   0.41769502  0.21600255  0.77323698
   0.15183697  0.31111836  0.52773173
   0.34547028  0.44713643  0.86158114
   0.45691290  0.44898585  0.67334017
   0.20531310  0.38000944  0.70265445
   0.31332801  0.18728616 -0.05834067
   0.03095687  0.15395696  0.90285022
   0.12019101  0.52623848  0.08407074
   0.36075855  0.65984114  0.26527142
   0.09989240  0.77848348  0.06388124
   0.40723003  0.91362196  0.33903449
   0.41029352  0.87682014  0.15972318
   0.17512198  0.84178860  0.24598512
   0.29347663  0.65174067  0.45056691
   0.05128371  0.56757822  0.41091683
   0.14694748  0.58449391  0.59701114
   0.33677363  0.69344021  0.77952407
   0.06484306  0.80961909  0.50740401
   0.34484291  0.96070034  0.82050612
   0.44295346  0.91820144  0.65009676
   0.17058770  0.87912055  0.68725687
   0.29516711  0.65889362 -0.01678193
   0.05811534  0.61564859  0.90362908
   0.60787936  0.04199576  0.10156363
   0.83603409  0.19703132  0.28784696
   0.59578405  0.28944299  0.04011949
   0.84887723  0.43807271  0.36685830
   0.02977833  0.34206558  0.21033569
   0.76677170  0.39657910  0.16546467
   0.77926919  0.14043618  0.46539118
   0.54173377  0.08896541  0.43820420
   0.61346985  0.12582659  0.62208540
   0.82540163  0.19868043  0.78489583
   0.60722414  0.33912288  0.53234338
   0.85926578  0.45759046  0.84827035
   0.94606346  0.41708073  0.60775254
   0.72968222  0.42774889  0.68837480
   0.78460494  0.14204667  0.97002444
   0.56162553  0.08740840  0.90725783
   0.60460879  0.56403248  0.09410990
   0.87324757  0.69645814  0.28534854
   0.60655732  0.80052312  0.03993455
   0.84147474  0.94956501  0.34271000
   0.89844697  0.86051585  0.15668789
   0.64725012  0.84606383  0.23946483
   0.79962934  0.64626304  0.46037496
   0.55873165  0.56707067  0.38477615
   0.62734461  0.59824674  0.57480524
   0.87397267  0.70482247  0.78302006
   0.58594605  0.81342962  0.46251059
   0.88129426  0.94572954  0.85878791
   0.91556698  0.90402407  0.66639374
   0.67343985  0.87802694  0.74184520
   0.80238549  0.65702563  0.96229411
   0.53240209  0.61689816  0.90986770
   0.71333445  0.91748677  0.57395685
   0.61852537  0.87559119  0.41974986
   0.87421870  0.16742453  0.12128931
   0.81709754  0.40825901  0.42342105
   0.27232424  0.09569866  0.66255023
   0.24733566  0.73715042  0.77412306
   0.00952650  1.11265358  0.13327342
   0.18537932  1.02179853 -0.00354898
   0.65130113  0.37187099  0.84857757
   0.86448640  0.43665492  0.64504015
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862028    0.257015   -0.176080
    -0.000000    9.842400   -0.278486
    -0.000000    0.000000   13.863437
   Si   O    H 
    32    64    10
Direct configuration=   504
   0.16398336  0.15477808 -0.02202897
   0.40176647  0.06921600  0.37494539
   0.13998827  0.37930743  0.13422927
   0.38167782  0.33058822  0.26151306
   0.14000171  0.15987657  0.49708311
   0.41323530  0.10967534  0.86198130
   0.11230103  0.42472980  0.61285096
   0.36552511  0.37749196  0.75105197
   0.13639832  0.63791494  0.00710387
   0.38977339  0.58110158  0.36532985
   0.06499337  0.88710494  0.16107254
   0.33530272  0.82473373  0.25321608
   0.13938933  0.65032042  0.49036233
   0.37531512  0.61174489  0.88658372
   0.05628661  0.91666904  0.60476701
   0.30973194  0.96918493  0.70186635
   0.62919265  0.13561788  1.00894499
   0.88537569  0.11273682  0.38043283
   0.61593350  0.40236076  0.13165768
   0.87612330  0.27489570  0.19652936
   0.62920760  0.17972385  0.51189240
   0.88293456  0.10671376  0.87772722
   0.60111476  0.45471498  0.61726790
   0.76329571  0.35470950  0.79132082
   0.63983897  0.64510871 -0.00085734
   0.89225488  0.58776534  0.37051025
   0.56870505  0.88851580  0.13503086
   0.81934807  0.84218472  0.25821302
   0.64229698  0.65462808  0.46419859
   0.89547876  0.60493711  0.87401375
   0.60007967  0.95887676  0.64244769
   0.83412008  0.86056239  0.76224130
   0.09357220  0.04761368  0.15738619
   0.36963977  0.16763373  0.28240140
   0.11085007  0.27009273  0.04683580
   0.33738676  0.42710191  0.35738337
   0.53522329  0.34456990  0.22470826
   0.29191059  0.37029441  0.16932167
   0.27627563  0.10278689  0.45409939
   0.04059723  0.13414898  0.40090041
   0.06958652  0.07665867  0.58131466
   0.41760485  0.21789258  0.77255056
   0.15049438  0.31125234  0.52709691
   0.34649397  0.44857194  0.86189209
   0.45469571  0.44960149  0.67271385
   0.20512832  0.37947196  0.70274608
   0.31268426  0.18795892 -0.05839069
   0.03331779  0.15435542  0.90326189
   0.12026318  0.52588367  0.08467022
   0.35984364  0.66087153  0.26622768
   0.09969645  0.77929874  0.06459622
   0.40583945  0.91377799  0.33873451
   0.40865041  0.87534143  0.15798052
   0.17324489  0.84190213  0.24662497
   0.29266595  0.65428021  0.44916675
   0.05140895  0.56754573  0.40993958
   0.14816106  0.58556364  0.59514039
   0.33777273  0.69160113  0.77945933
   0.06460056  0.80949933  0.50784461
   0.34479132  0.96097070  0.81965044
   0.44387874  0.91776807  0.65116613
   0.17103467  0.88062496  0.68731429
   0.29543569  0.65871110 -0.01688431
   0.05750522  0.61441129  0.90303142
   0.60891904  0.04218281  0.10230467
   0.83423783  0.19808825  0.28877521
   0.59451846  0.28920382  0.03941442
   0.85056821  0.43699046  0.36568863
   0.02961143  0.34037461  0.21012733
   0.76587210  0.39779002  0.16598359
   0.78023755  0.14106534  0.46515416
   0.54364739  0.08997323  0.43976042
   0.61286731  0.12763664  0.62331636
   0.82666563  0.19703196  0.78468060
   0.60707344  0.33946429  0.53257421
   0.85838254  0.45766706  0.84803414
   0.94629917  0.41825429  0.60816944
   0.72940297  0.42734102  0.68989211
   0.78496746  0.14145752  0.96987395
   0.56219153  0.08593398  0.90705232
   0.60495588  0.56400853  0.09499655
   0.87461188  0.69640184  0.28453975
   0.60788746  0.80051768  0.03943500
   0.84337691  0.95096837  0.34301909
   0.89962755  0.86140699  0.15636329
   0.64667389  0.84695198  0.23851311
   0.79931909  0.64544277  0.46032380
   0.55766548  0.56711704  0.38307016
   0.62927760  0.59940576  0.57495390
   0.87492531  0.70617989  0.78227252
   0.58399254  0.81312252  0.46223819
   0.88061338  0.94446925  0.85884499
   0.91447438  0.90390914  0.66626229
   0.67251656  0.87958623  0.74319226
   0.80167981  0.65717414  0.96226186
   0.53264016  0.61627257  0.90980382
   0.71215373  0.91412456  0.57648362
   0.62211768  0.88174475  0.41267230
   0.87640208  0.17156385  0.11703808
   0.80588919  0.40337337  0.42729796
   0.26990094  0.09293642  0.65868405
   0.24425212  0.73949024  0.77586500
   0.01553190  1.10926749  0.13319048
   0.18825696  1.00842759 -0.00013653
   0.64128075  0.36836024  0.85365122
   0.86264567  0.43519209  0.63554301
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.864279    0.254579   -0.176243
    -0.000000    9.841183   -0.279904
    -0.000000    0.000000   13.864144
   Si   O    H 
    32    64    10
Direct configuration=   505
   0.16411949  0.15374234 -0.02183241
   0.40056579  0.06953530  0.37446182
   0.14016821  0.38033925  0.13370763
   0.38087675  0.32983918  0.26187845
   0.14168692  0.16108458  0.49740111
   0.41464104  0.11060337  0.86275595
   0.11217423  0.42397466  0.61168672
   0.36474667  0.37791890  0.75206054
   0.13525291  0.63897746  0.00727767
   0.39101271  0.58002778  0.36525718
   0.06524874  0.88734071  0.16157108
   0.33508277  0.82404038  0.25269729
   0.13919087  0.64982690  0.49005802
   0.37659831  0.61269238  0.88619245
   0.05754431  0.91737333  0.60474566
   0.30858237  0.96931940  0.70267073
   0.62901556  0.13709651  1.00895270
   0.88532215  0.11373498  0.38118215
   0.61753559  0.40313727  0.13195672
   0.87663224  0.27383036  0.19638616
   0.62853903  0.18049491  0.51166376
   0.88229290  0.10778189  0.87709727
   0.60032380  0.45401536  0.61772377
   0.76376560  0.35460810  0.79173305
   0.63920256  0.64504505 -0.00149955
   0.89227029  0.58737704  0.37067082
   0.56844661  0.88691718  0.13447549
   0.81877782  0.84091595  0.25777612
   0.64113920  0.65501810  0.46374451
   0.89544689  0.60468193  0.87531128
   0.59993893  0.95911339  0.64111888
   0.83332581  0.86171334  0.76292339
   0.09339011  0.04796462  0.15768143
   0.36900763  0.16843085  0.28155116
   0.11289471  0.27111055  0.04713755
   0.33829495  0.42711321  0.35650061
   0.53644009  0.34418194  0.22469485
   0.29210584  0.37071490  0.16866426
   0.27707918  0.10334912  0.45367619
   0.04221754  0.13488498  0.40069988
   0.06977919  0.07650056  0.58060313
   0.41709173  0.21990106  0.77214906
   0.14895095  0.31212784  0.52598123
   0.34711005  0.44930236  0.86186749
   0.45262396  0.45043225  0.67253007
   0.20508267  0.37869706  0.70356841
   0.31302377  0.18860128 -0.05873776
   0.03644472  0.15550578  0.90353207
   0.12059550  0.52527072  0.08504399
   0.35931234  0.66196722  0.26724688
   0.09931866  0.78000218  0.06532379
   0.40475868  0.91333251  0.33792286
   0.40676021  0.87488610  0.15691755
   0.17180348  0.84148283  0.24754145
   0.29228012  0.65625534  0.44858040
   0.05093209  0.56763150  0.40884875
   0.14919705  0.58640056  0.59387858
   0.33869398  0.69008250  0.77940956
   0.06444917  0.80986841  0.50836702
   0.34553040  0.96195542  0.81883210
   0.44507301  0.91830968  0.65199288
   0.17188052  0.88251655  0.68732718
   0.29567821  0.65841128 -0.01731565
   0.05692599  0.61339689  0.90247797
   0.60945487  0.04167147  0.10287030
   0.83259405  0.20045703  0.29017471
   0.59374375  0.28953282  0.03908639
   0.85197616  0.43536713  0.36534618
   0.02971508  0.33947252  0.20985167
   0.76629296  0.39943831  0.16696025
   0.78132999  0.14194997  0.46497434
   0.54491040  0.09065548  0.44040824
   0.61162630  0.12927919  0.62404467
   0.82784665  0.19584625  0.78457944
   0.60660584  0.33960014  0.53262402
   0.85800576  0.45774867  0.84774955
   0.94643675  0.41900048  0.60842953
   0.72866658  0.42638006  0.69174487
   0.78607341  0.14124872  0.96989486
   0.56233071  0.08455872  0.90727382
   0.60488542  0.56359339  0.09624206
   0.87617138  0.69621997  0.28399956
   0.60913042  0.80018352  0.03828112
   0.84483256  0.95305705  0.34354664
   0.90062373  0.86300970  0.15620596
   0.64683290  0.84697634  0.23779232
   0.79899347  0.64497028  0.46032035
   0.55652057  0.56776873  0.38168160
   0.63028897  0.60095820  0.57482867
   0.87581527  0.70678569  0.78127496
   0.58290205  0.81389567  0.46224010
   0.87889221  0.94337638  0.85883722
   0.91343820  0.90465810  0.66615418
   0.67129304  0.88166924  0.74405850
   0.80076927  0.65674576  0.96273433
   0.53430362  0.61584543  0.91044988
   0.70962557  0.90844846  0.57764770
   0.62377241  0.88251720  0.41185682
   0.87909822  0.17662254  0.11372884
   0.79633668  0.40576246  0.42499768
   0.27051350  0.09331218  0.65420940
   0.24939477  0.73666101  0.77809711
   0.02479457  1.10261766  0.13177587
   0.18798308  1.00143913  0.00234672
   0.63250918  0.36021186  0.85664174
   0.85447582  0.43185891  0.63008936
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866354    0.252433   -0.176226
    -0.000000    9.839784   -0.281644
    -0.000000    0.000000   13.864903
   Si   O    H 
    32    64    10
Direct configuration=   506
   0.16420047  0.15275963 -0.02153492
   0.39908531  0.07035814  0.37410821
   0.14042613  0.38153890  0.13286467
   0.37983844  0.32894566  0.26183335
   0.14297110  0.16141079  0.49805734
   0.41476649  0.11067893  0.86371730
   0.11180811  0.42373040  0.61081265
   0.36326451  0.37929740  0.75335406
   0.13408107  0.64041855  0.00721097
   0.39254732  0.57952756  0.36525288
   0.06521285  0.88741745  0.16172647
   0.33491239  0.82338020  0.25252381
   0.13898678  0.64967890  0.48949500
   0.37738726  0.61317883  0.88530943
   0.05806213  0.91800210  0.60434492
   0.30756841  0.96961236  0.70370401
   0.62904534  0.13867340  1.00887890
   0.88479491  0.11425139  0.38195273
   0.61897576  0.40342691  0.13209105
   0.87694268  0.27342624  0.19553389
   0.62844103  0.18065373  0.51135992
   0.88152151  0.10887188  0.87611439
   0.59966208  0.45296557  0.61820333
   0.76322749  0.35459025  0.79226413
   0.63858739  0.64538031 -0.00202185
   0.89226586  0.58693665  0.37082720
   0.56837902  0.88632470  0.13409999
   0.81819075  0.83943345  0.25738288
   0.63987080  0.65513075  0.46366104
   0.89535211  0.60505929  0.87681709
   0.60047561  0.95916153  0.64028118
   0.83295920  0.86270629  0.76335795
   0.09382326  0.04730478  0.15822054
   0.36794909  0.16905960  0.28154333
   0.11428834  0.27256842  0.04752606
   0.33945172  0.42637052  0.35618085
   0.53846095  0.34393134  0.22443259
   0.29332536  0.37132301  0.16805449
   0.27897430  0.10384516  0.45341111
   0.04488531  0.13555318  0.40021747
   0.07023553  0.07578223  0.57951858
   0.41634348  0.22158939  0.77133561
   0.14856280  0.31405449  0.52555255
   0.34745224  0.44984035  0.86145604
   0.45117318  0.45168466  0.67226704
   0.20557377  0.37788872  0.70404055
   0.31391522  0.18951306 -0.05926363
   0.03910771  0.15644045  0.90298882
   0.12148432  0.52490889  0.08537140
   0.35881900  0.66353013  0.26850010
   0.09877215  0.78081671  0.06641521
   0.40336874  0.91320544  0.33667430
   0.40545743  0.87479820  0.15555111
   0.17129163  0.84162421  0.24827809
   0.29251316  0.65879269  0.44749589
   0.05116351  0.56895632  0.40802934
   0.14999546  0.58679129  0.59319464
   0.33979387  0.68794726  0.77971699
   0.06439761  0.80954682  0.50865416
   0.34546406  0.96311468  0.81809310
   0.44711151  0.91903958  0.65218571
   0.17312867  0.88412739  0.68735253
   0.29644965  0.65763000 -0.01701239
   0.05635740  0.61288566  0.90204628
   0.60977763  0.04105009  0.10341692
   0.83106240  0.20181306  0.29164242
   0.59270541  0.29032978  0.03830219
   0.85294796  0.43319881  0.36520671
   0.03001264  0.33863543  0.20995288
   0.76735926  0.40182399  0.16828088
   0.78146898  0.14239682  0.46571464
   0.54420555  0.09043720  0.44064684
   0.61039215  0.13099859  0.62526908
   0.82924035  0.19463500  0.78402871
   0.60631448  0.34005084  0.53270559
   0.85761056  0.45777859  0.84709409
   0.94678215  0.41969740  0.60826641
   0.72822013  0.42534411  0.69333726
   0.78793163  0.14130076  0.96985856
   0.56230082  0.08351907  0.90752844
   0.60562645  0.56292317  0.09672825
   0.87806929  0.69590027  0.28343611
   0.61044230  0.79971706  0.03676479
   0.84600766  0.95531852  0.34445302
   0.90122762  0.86462134  0.15647380
   0.64710022  0.84643846  0.23683774
   0.79990093  0.64427568  0.46048244
   0.55573925  0.56766292  0.38064457
   0.62980737  0.60201107  0.57435322
   0.87740873  0.70682495  0.78102883
   0.58207141  0.81439026  0.46163710
   0.87766508  0.94296110  0.85859218
   0.91320515  0.90510690  0.66625941
   0.67001033  0.88373084  0.74455905
   0.79897171  0.65665603  0.96324913
   0.53577224  0.61545958  0.91126141
   0.70704657  0.90174581  0.57791900
   0.62368018  0.87372235  0.41766226
   0.88211554  0.18211728  0.11253779
   0.79330649  0.41104957  0.41396188
   0.27309515  0.09588493  0.65307370
   0.25494711  0.73412101  0.78059025
   0.02187459  1.10416712  0.12830529
   0.18600734  1.00121208  0.00344595
   0.62963453  0.35386869  0.85466688
   0.85108654  0.42938881  0.62407011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.868495    0.251262   -0.175651
    -0.000000    9.838540   -0.282612
    -0.000000    0.000000   13.865802
   Si   O    H 
    32    64    10
Direct configuration=   507
   0.16379454  0.15182875 -0.02169422
   0.39744075  0.07146673  0.37425186
   0.14045654  0.38300100  0.13205956
   0.37937588  0.32809162  0.26135518
   0.14382170  0.16164133  0.49836514
   0.41494453  0.11094435  0.86408542
   0.11172130  0.42339547  0.61041411
   0.36149275  0.38073188  0.75460870
   0.13304884  0.64175974  0.00758032
   0.39371049  0.57926601  0.36510438
   0.06519416  0.88722367  0.16160142
   0.33478623  0.82291960  0.25217027
   0.13898537  0.64980120  0.48875666
   0.37779165  0.61348663  0.88440529
   0.05862258  0.91849953  0.60403554
   0.30697006  0.96970949  0.70425787
   0.62946678  0.13984253  1.00887483
   0.88446929  0.11461324  0.38283221
   0.61934579  0.40400095  0.13190606
   0.87729362  0.27362651  0.19511746
   0.62886508  0.18088687  0.51143853
   0.88102273  0.11006553  0.87535623
   0.59889256  0.45255002  0.61860007
   0.76201729  0.35443882  0.79275869
   0.63798909  0.64495425 -0.00259368
   0.89229918  0.58681530  0.37084071
   0.56794202  0.88575700  0.13348916
   0.81738426  0.83878155  0.25738299
   0.63816917  0.65505273  0.46372871
   0.89575604  0.60585209  0.87805987
   0.60086721  0.95952861  0.63935498
   0.83203875  0.86322581  0.76355112
   0.09401108  0.04686416  0.15880253
   0.36729257  0.16965119  0.28215079
   0.11543632  0.27413649  0.04754090
   0.34061744  0.42585847  0.35535476
   0.54023951  0.34480152  0.22410717
   0.29530616  0.37206675  0.16680859
   0.28065880  0.10443661  0.45259594
   0.04750277  0.13615868  0.39991207
   0.07036333  0.07550155  0.57834957
   0.41491774  0.22353144  0.77050194
   0.14872141  0.31679234  0.52569111
   0.34784462  0.45060993  0.86119650
   0.44955070  0.45285856  0.67255117
   0.20567897  0.37805564  0.70451034
   0.31551377  0.19067747 -0.05984357
   0.04156689  0.15772429  0.90199779
   0.12233792  0.52438172  0.08551859
   0.35772420  0.66417074  0.26988336
   0.09750335  0.78124884  0.06803653
   0.40192294  0.91305517  0.33587067
   0.40464854  0.87465992  0.15394933
   0.17011973  0.84256591  0.24881701
   0.29291306  0.66142983  0.44662303
   0.05183581  0.57102016  0.40713384
   0.14960381  0.58683799  0.59272037
   0.34101487  0.68607392  0.77968681
   0.06405628  0.80990018  0.50936034
   0.34629105  0.96456835  0.81780822
   0.44903591  0.91931625  0.65230911
   0.17360249  0.88517978  0.68708288
   0.29655239  0.65634493 -0.01647367
   0.05598702  0.61286333  0.90187239
   0.60993330  0.04026531  0.10385308
   0.82924326  0.20335709  0.29283203
   0.59052397  0.29246211  0.03818232
   0.85366482  0.43157820  0.36469453
   0.03030320  0.33698591  0.20975237
   0.76908173  0.40400559  0.16930787
   0.78063316  0.14330379  0.46662612
   0.54324895  0.09026432  0.44037492
   0.60949146  0.13292443  0.62676427
   0.83041247  0.19422186  0.78325531
   0.60618412  0.34078630  0.53234869
   0.85778959  0.45697445  0.84637839
   0.94747031  0.42091866  0.60801489
   0.72788916  0.42524360  0.69486639
   0.78952025  0.14245621  0.96961149
   0.56173613  0.08344197  0.90764690
   0.60525832  0.56251019  0.09683143
   0.88021626  0.69514873  0.28359724
   0.61126140  0.80003985  0.03500793
   0.84788657  0.95773763  0.34582032
   0.90195953  0.86647489  0.15686458
   0.64745011  0.84664707  0.23587327
   0.80125742  0.64302860  0.46114434
   0.55567116  0.56785978  0.37980235
   0.62844904  0.60247515  0.57369460
   0.87907916  0.70639011  0.78126966
   0.58114717  0.81452321  0.46128368
   0.87653747  0.94237780  0.85862730
   0.91449069  0.90529303  0.66580931
   0.66844296  0.88615073  0.74449627
   0.79672445  0.65667965  0.96372287
   0.53746545  0.61575990  0.91198318
   0.70657155  0.89714757  0.57502229
   0.62410757  0.86944551  0.42252288
   0.88626729  0.18335646  0.11127714
   0.78705966  0.41446595  0.40631867
   0.27981633  0.10033717  0.65491999
   0.25408142  0.73896139  0.78370452
   0.01737957  1.10208559  0.12241011
   0.18396208  1.00511700  0.00354089
   0.63282154  0.34931988  0.85007886
   0.85274619  0.42420709  0.62256181
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870519    0.250685   -0.174549
    -0.000000    9.837143   -0.283550
    -0.000000    0.000000   13.867034
   Si   O    H 
    32    64    10
Direct configuration=   508
   0.16409238  0.15043384 -0.02196507
   0.39629244  0.07288187  0.37473013
   0.14122022  0.38503396  0.13129354
   0.37909425  0.32750018  0.26078140
   0.14388180  0.16176754  0.49839111
   0.41430690  0.11120971  0.86426297
   0.11102432  0.42342066  0.61025012
   0.35919961  0.38198427  0.75525768
   0.13214727  0.64295841  0.00819254
   0.39447925  0.57920339  0.36482027
   0.06519436  0.88665247  0.16111171
   0.33430281  0.82235555  0.25220908
   0.13919914  0.65035274  0.48810088
   0.37870280  0.61422265  0.88365480
   0.05864366  0.91890052  0.60397954
   0.30653954  0.96990927  0.70460864
   0.63008916  0.14077810  1.00935758
   0.88439198  0.11419339  0.38341012
   0.61897809  0.40478986  0.13168537
   0.87754766  0.27363485  0.19474489
   0.62983543  0.18080366  0.51184055
   0.88060967  0.11105604  0.87501377
   0.59816985  0.45268608  0.61910864
   0.76029530  0.35404608  0.79355551
   0.63771845  0.64472692 -0.00271179
   0.89252867  0.58716335  0.37081807
   0.56714836  0.88562655  0.13276387
   0.81665559  0.83876040  0.25726515
   0.63679951  0.65462421  0.46379639
   0.89623886  0.60710390  0.87871468
   0.60156836  0.96001846  0.63870219
   0.83075205  0.86376259  0.76297160
   0.09386879  0.04692681  0.15912915
   0.36724731  0.16909436  0.28287154
   0.11688435  0.27505921  0.04695997
   0.34224368  0.42485801  0.35487722
   0.54198936  0.34524966  0.22413567
   0.29739640  0.37313223  0.16554299
   0.28247398  0.10578473  0.45190606
   0.04899825  0.13749624  0.39947010
   0.06987436  0.07533082  0.57724269
   0.41360544  0.22468808  0.77052753
   0.14958607  0.31994814  0.52569592
   0.34873236  0.45178552  0.86165622
   0.44765257  0.45378706  0.67243918
   0.20509058  0.37797760  0.70515330
   0.31729393  0.19149713 -0.06022505
   0.04325044  0.15835350  0.90095344
   0.12356475  0.52426245  0.08519702
   0.35751067  0.66416150  0.27125805
   0.09695632  0.78202722  0.06992049
   0.40078644  0.91337582  0.33490704
   0.40430485  0.87448123  0.15247967
   0.16972423  0.84281075  0.24947400
   0.29394129  0.66389543  0.44600416
   0.05258405  0.57279222  0.40632206
   0.14904541  0.58592192  0.59276184
   0.34239022  0.68413491  0.77985722
   0.06488270  0.81070740  0.51016002
   0.34719411  0.96736966  0.81767189
   0.45049687  0.91952971  0.65268564
   0.17397905  0.88589777  0.68675180
   0.29649878  0.65486508 -0.01583735
   0.05544986  0.61234357  0.90200147
   0.61031040  0.03954119  0.10421576
   0.82807859  0.20448755  0.29430214
   0.58913157  0.29465149  0.03811442
   0.85422483  0.42945181  0.36352354
   0.03099623  0.33550819  0.20953614
   0.77110662  0.40583517  0.17025096
   0.77855635  0.14400855  0.46809504
   0.54175484  0.08973045  0.44006093
   0.60906928  0.13356866  0.62805719
   0.83195732  0.19393624  0.78284751
   0.60676700  0.34116044  0.53221882
   0.85784615  0.45555036  0.84604588
   0.94837461  0.42181253  0.60771336
   0.72703935  0.42465692  0.69566669
   0.79105283  0.14349345  0.96947094
   0.56133350  0.08342881  0.90818372
   0.60547209  0.56206924  0.09719843
   0.88223243  0.69347510  0.28414681
   0.61124188  0.80084308  0.03342367
   0.84987272  0.95857220  0.34662373
   0.90244332  0.86823241  0.15737001
   0.64749908  0.84618743  0.23480661
   0.80199904  0.64234074  0.46112887
   0.55624385  0.56844486  0.37961663
   0.62637672  0.60270090  0.57287039
   0.87999248  0.70610596  0.78194138
   0.58063584  0.81317184  0.46111903
   0.87568424  0.94216596  0.85853205
   0.91541148  0.90539841  0.66566587
   0.66686640  0.88823260  0.74411113
   0.79466089  0.65656617  0.96437041
   0.53895914  0.61581662  0.91205515
   0.70251149  0.89352084  0.56926904
   0.63623128  0.88013509  0.41782520
   0.89361513  0.18634847  0.10959986
   0.77101598  0.41078286  0.40620850
   0.29154046  0.09797799  0.66089785
   0.25628491  0.74343458  0.78441889
   0.02181802  1.09738235  0.11991029
   0.18184241  1.01334315  0.00398114
   0.63905932  0.34386404  0.84433337
   0.85789875  0.41991664  0.62321532
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872191    0.249430   -0.173740
    -0.000000    9.835702   -0.284359
    -0.000000    0.000000   13.868172
   Si   O    H 
    32    64    10
Direct configuration=   509
   0.16448464  0.14988406 -0.02201937
   0.39541963  0.07419648  0.37526355
   0.14216658  0.38625886  0.13075677
   0.37921529  0.32612256  0.26006333
   0.14304695  0.16203995  0.49812358
   0.41315320  0.11166888  0.86422699
   0.11052334  0.42349068  0.61034500
   0.35666850  0.38240350  0.75536552
   0.13117702  0.64383500  0.00878290
   0.39458781  0.57935210  0.36496300
   0.06478493  0.88673969  0.16041189
   0.33360318  0.82231383  0.25217288
   0.13944931  0.65085087  0.48732729
   0.37953760  0.61510412  0.88318141
   0.05851961  0.91942938  0.60409774
   0.30705498  0.97028853  0.70480112
   0.63097287  0.14187820  1.00979792
   0.88444401  0.11361614  0.38403204
   0.61888895  0.40509584  0.13148224
   0.87770994  0.27301984  0.19442290
   0.63089800  0.18099563  0.51228626
   0.88118381  0.11201366  0.87502353
   0.59718214  0.45370787  0.61963914
   0.75807333  0.35371102  0.79434838
   0.63687291  0.64435198 -0.00260349
   0.89343577  0.58777507  0.37084461
   0.56579586  0.88579271  0.13207103
   0.81536469  0.83905204  0.25693383
   0.63571985  0.65436555  0.46413778
   0.89652532  0.60856658  0.87929412
   0.60223845  0.96013430  0.63815592
   0.82904140  0.86389281  0.76222766
   0.09376864  0.04740936  0.15858569
   0.36689342  0.16866541  0.28388350
   0.11776912  0.27593232  0.04614415
   0.34347187  0.42437046  0.35425854
   0.54415940  0.34570764  0.22441862
   0.29922343  0.37377505  0.16474201
   0.28457949  0.10709833  0.45071869
   0.04899422  0.13913208  0.39912649
   0.06835477  0.07419567  0.57655873
   0.41233156  0.22538064  0.77103719
   0.15070146  0.32220361  0.52481202
   0.34937165  0.45282129  0.86136148
   0.44682077  0.45535564  0.67205721
   0.20413965  0.37745377  0.70574279
   0.31876703  0.19154176 -0.06023109
   0.04421317  0.15826857  0.89956598
   0.12400776  0.52443086  0.08431980
   0.35927539  0.66431066  0.27240699
   0.09711049  0.78208093  0.07182208
   0.39948913  0.91374536  0.33433333
   0.40355868  0.87464140  0.15076726
   0.16892431  0.84319502  0.24970322
   0.29487295  0.66524363  0.44612008
   0.05219198  0.57404739  0.40570975
   0.14811527  0.58510191  0.59257414
   0.34368505  0.68306635  0.78035703
   0.06654781  0.81186752  0.51080104
   0.34870847  0.97023955  0.81779777
   0.45097283  0.91924032  0.65230532
   0.17480029  0.88612011  0.68690834
   0.29612658  0.65353896 -0.01479734
   0.05480017  0.61242728  0.90277853
   0.61089377  0.03998082  0.10458117
   0.82660342  0.20638832  0.29509585
   0.58821938  0.29719205  0.03819236
   0.85384141  0.42727515  0.36283675
   0.03166308  0.33388650  0.20853393
   0.77428998  0.40663878  0.17132567
   0.77724510  0.14412750  0.46947335
   0.53906872  0.08991841  0.43969452
   0.60861013  0.13429026  0.62927023
   0.83350967  0.19385656  0.78217203
   0.60754140  0.34274818  0.53133087
   0.85838599  0.45438820  0.84602205
   0.95028416  0.42282331  0.60675200
   0.72606420  0.42378558  0.69605687
   0.79216363  0.14475164  0.96931654
   0.56158969  0.08359959  0.90884370
   0.60507731  0.56166400  0.09706815
   0.88508127  0.69124023  0.28429265
   0.61078420  0.80203606  0.03214215
   0.85255077  0.95869560  0.34709940
   0.90219558  0.86905919  0.15885537
   0.64857728  0.84442363  0.23396012
   0.80225749  0.64177884  0.46094285
   0.55682661  0.56976925  0.37997006
   0.62328763  0.60258649  0.57247438
   0.88068749  0.70456069  0.78263143
   0.57980754  0.81233896  0.46042141
   0.87458292  0.94226365  0.85843109
   0.91651267  0.90492280  0.66546669
   0.66632889  0.89137516  0.74418046
   0.79252649  0.65577091  0.96502414
   0.54011509  0.61478363  0.91173003
   0.69703525  0.89340528  0.56676351
   0.64169864  0.88302301  0.42035084
   0.89904383  0.18970077  0.10682153
   0.76369657  0.40784552  0.40179894
   0.29654229  0.09974866  0.66674939
   0.26334686  0.74343218  0.78446114
   0.02613536  1.09404054  0.12138889
   0.17862201  1.01668934  0.00478231
   0.63993127  0.33325723  0.83879752
   0.85548569  0.41839538  0.62588046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873675    0.248701   -0.172474
    -0.000000    9.834232   -0.285064
    -0.000000    0.000000   13.869653
   Si   O    H 
    32    64    10
Direct configuration=   510
   0.16524732  0.14937575 -0.02182464
   0.39415365  0.07527266  0.37586437
   0.14418171  0.38707110  0.13010593
   0.37950802  0.32483226  0.25949012
   0.14230327  0.16229278  0.49775917
   0.41172789  0.11245173  0.86376838
   0.11021851  0.42323474  0.61042212
   0.35389746  0.38256163  0.75527991
   0.12983311  0.64478300  0.00919216
   0.39456237  0.57964132  0.36553558
   0.06387439  0.88653066  0.15990260
   0.33292347  0.82202629  0.25191592
   0.13977183  0.65141689  0.48675352
   0.38050849  0.61576111  0.88294910
   0.05817693  0.91890895  0.60401632
   0.30750081  0.97042077  0.70452023
   0.63201276  0.14186499  1.01051632
   0.88483482  0.11322174  0.38418847
   0.61896340  0.40574137  0.13171548
   0.87849280  0.27286743  0.19460118
   0.63213343  0.18088861  0.51290294
   0.88230044  0.11244498  0.87535055
   0.59565268  0.45463690  0.61992864
   0.75651430  0.35339402  0.79529055
   0.63674301  0.64417661 -0.00228923
   0.89412608  0.58846707  0.37098370
   0.56469459  0.88608415  0.13159098
   0.81377206  0.83976765  0.25646801
   0.63465883  0.65402557  0.46473213
   0.89625159  0.60941456  0.87918714
   0.60295018  0.96045589  0.63762564
   0.82741654  0.86413331  0.76117180
   0.09377227  0.04751401  0.15828909
   0.36614707  0.16836923  0.28438630
   0.11793577  0.27628425  0.04562402
   0.34469063  0.42373324  0.35373522
   0.54552402  0.34605069  0.22444167
   0.30067974  0.37497463  0.16442173
   0.28576645  0.10828365  0.44987126
   0.04853424  0.14097950  0.39883196
   0.06694329  0.07329657  0.57613821
   0.41104025  0.22581288  0.77212466
   0.15120041  0.32439801  0.52374939
   0.35026119  0.45423174  0.86113741
   0.44634794  0.45672249  0.67215871
   0.20364443  0.37646399  0.70603287
   0.31963865  0.19137628 -0.05994397
   0.04524141  0.15842121  0.89712354
   0.12442529  0.52438021  0.08343602
   0.36157153  0.66379544  0.27258437
   0.09673175  0.78231691  0.07343091
   0.39803398  0.91444529  0.33386267
   0.40257942  0.87449699  0.14830994
   0.16905103  0.84341521  0.25013554
   0.29537141  0.66649071  0.44601633
   0.05163512  0.57516979  0.40518284
   0.14734132  0.58433013  0.59271161
   0.34562440  0.68141413  0.78099327
   0.06818429  0.81248825  0.51143149
   0.35040282  0.97416792  0.81841622
   0.45082355  0.91971777  0.65191025
   0.17555737  0.88564080  0.68730078
   0.29501306  0.65140934 -0.01378697
   0.05421413  0.61223284  0.90362064
   0.61199205  0.04098841  0.10448319
   0.82519338  0.20737480  0.29519473
   0.58677925  0.29985033  0.03861487
   0.85300528  0.42553389  0.36237135
   0.03352109  0.33363564  0.20783658
   0.77785300  0.40743200  0.17230020
   0.77738183  0.14497824  0.47077942
   0.53552907  0.09002449  0.43909966
   0.60876457  0.13454700  0.62942022
   0.83418758  0.19401412  0.78111626
   0.60828002  0.34495997  0.52997184
   0.85918857  0.45298001  0.84612201
   0.95218802  0.42364366  0.60576359
   0.72540937  0.42320009  0.69594126
   0.79305700  0.14622198  0.96848015
   0.56201157  0.08386007  0.90972582
   0.60449922  0.56158840  0.09669922
   0.88737810  0.68967405  0.28433385
   0.61077312  0.80360635  0.03090656
   0.85559491  0.95730019  0.34677314
   0.90166820  0.86886142  0.16072612
   0.64960055  0.84312245  0.23314331
   0.80223582  0.64083357  0.46045497
   0.55762538  0.57039008  0.38005790
   0.61953641  0.60195389  0.57256834
   0.88113497  0.70281508  0.78358117
   0.57874777  0.81204709  0.45922250
   0.87390143  0.94307147  0.85819700
   0.91682007  0.90510952  0.66523876
   0.66583764  0.89426345  0.74401511
   0.79073549  0.65550357  0.96512553
   0.54179364  0.61313152  0.91101334
   0.69382534  0.89658950  0.56763032
   0.63595976  0.87474801  0.42845613
   0.90504376  0.18980625  0.10812188
   0.76736799  0.40433746  0.39189197
   0.29689652  0.10362768  0.67131885
   0.26824129  0.74410950  0.78401494
   0.02154365  1.09882930  0.12045069
   0.17659285  1.00891196  0.00485502
   0.63154203  0.32173757  0.83821984
   0.85465520  0.41776780  0.62974424
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875382    0.247610   -0.171078
    -0.000000    9.832563   -0.285373
    -0.000000    0.000000   13.870878
   Si   O    H 
    32    64    10
Direct configuration=   511
   0.16575296  0.14924146 -0.02176317
   0.39299773  0.07612880  0.37612707
   0.14585907  0.38763386  0.12978938
   0.37988796  0.32391048  0.25938380
   0.14216950  0.16205808  0.49756522
   0.41053524  0.11328788  0.86302690
   0.11003563  0.42333591  0.61090297
   0.35168555  0.38254212  0.75493412
   0.12867931  0.64603133  0.00883270
   0.39434732  0.58019525  0.36565779
   0.06290343  0.88646806  0.15951285
   0.33184994  0.82223895  0.25112833
   0.14022470  0.65185282  0.48571208
   0.38095643  0.61571630  0.88277948
   0.05759703  0.91776549  0.60353060
   0.30861686  0.96998668  0.70395389
   0.63295591  0.14169136  1.01109671
   0.88529192  0.11322715  0.38428214
   0.61939532  0.40698077  0.13231012
   0.87904546  0.27382506  0.19494751
   0.63288063  0.18094815  0.51329617
   0.88347775  0.11264382  0.87613134
   0.59395031  0.45547107  0.62026745
   0.75476384  0.35301314  0.79627842
   0.63653384  0.64428120 -0.00181328
   0.89466169  0.58840160  0.37107355
   0.56348740  0.88644513  0.13101804
   0.81277219  0.84069346  0.25666294
   0.63426491  0.65385167  0.46514194
   0.89645360  0.61037846  0.87865608
   0.60439733  0.96125323  0.63735965
   0.82615735  0.86459064  0.76002842
   0.09430038  0.04794934  0.15743252
   0.36574333  0.16872325  0.28499743
   0.11840677  0.27685203  0.04555225
   0.34488373  0.42268249  0.35270949
   0.54687665  0.34636656  0.22434925
   0.30164772  0.37524545  0.16463309
   0.28633243  0.10944094  0.44983756
   0.04786498  0.14337166  0.39895350
   0.06628801  0.07376527  0.57593281
   0.40950659  0.22618655  0.77395225
   0.15233520  0.32624260  0.52255215
   0.35185862  0.45562481  0.86047797
   0.44535805  0.45730445  0.67206768
   0.20259428  0.37587854  0.70616961
   0.31951815  0.19124856 -0.05955016
   0.04570694  0.15822083  0.89422374
   0.12363974  0.52492569  0.08256662
   0.36291318  0.66210070  0.27232210
   0.09621154  0.78199420  0.07428654
   0.39710140  0.91528748  0.33327499
   0.40238221  0.87465045  0.14603345
   0.16841225  0.84409654  0.25059285
   0.29641576  0.66676670  0.44544974
   0.05146869  0.57582763  0.40497177
   0.14708826  0.58285137  0.59275581
   0.34700926  0.68021366  0.78169608
   0.06979777  0.81268521  0.51174182
   0.35288201  0.97782985  0.81906364
   0.45036853  0.92005354  0.65184822
   0.17684161  0.88414745  0.68782477
   0.29396114  0.64988139 -0.01340688
   0.05460726  0.61253844  0.90463606
   0.61272204  0.04139488  0.10444110
   0.82405825  0.20798066  0.29537601
   0.58527388  0.30234920  0.03923443
   0.85204329  0.42365198  0.36251751
   0.03520781  0.33339308  0.20740310
   0.78163842  0.40775535  0.17255847
   0.77764249  0.14559803  0.47187644
   0.53266124  0.09017900  0.43857332
   0.60880640  0.13434976  0.62897994
   0.83449085  0.19454310  0.78029974
   0.60845118  0.34645775  0.52879441
   0.86069657  0.45234245  0.84591225
   0.95307062  0.42362822  0.60527330
   0.72490743  0.42236060  0.69557510
   0.79353038  0.14706058  0.96831095
   0.56281509  0.08414791  0.91102066
   0.60495593  0.56162331  0.09624999
   0.88897176  0.68893994  0.28436240
   0.61018386  0.80506152  0.02998634
   0.85793626  0.95538801  0.34545989
   0.90099530  0.86724619  0.16286057
   0.65059664  0.84192838  0.23183412
   0.80243633  0.64010262  0.45981743
   0.55836878  0.57056459  0.37997100
   0.61601099  0.60109210  0.57283758
   0.88055006  0.70090168  0.78428876
   0.57751663  0.81163337  0.45825129
   0.87294776  0.94495624  0.85812335
   0.91742185  0.90524788  0.66510775
   0.66601745  0.89689556  0.74436560
   0.78878849  0.65496826  0.96539327
   0.54355521  0.61152453  0.90984000
   0.68874332  0.90309299  0.56852945
   0.63078037  0.86650869  0.43325484
   0.90947581  0.18707402  0.10830401
   0.76669277  0.39975754  0.37892846
   0.29461882  0.11104448  0.67180805
   0.26862535  0.74568373  0.78513124
   0.02086719  1.10183148  0.12104163
   0.17791926  0.99862047  0.00743788
   0.62103049  0.31060025  0.84062260
   0.86188985  0.41485626  0.63195456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877101    0.246311   -0.169638
    -0.000000    9.830922   -0.286022
    -0.000000    0.000000   13.872101
   Si   O    H 
    32    64    10
Direct configuration=   512
   0.16607190  0.14906604 -0.02170675
   0.39285781  0.07660649  0.37649437
   0.14758060  0.38765985  0.12957466
   0.38004190  0.32343983  0.25940545
   0.14209133  0.16149874  0.49750909
   0.41000544  0.11415362  0.86238273
   0.11053979  0.42340140  0.61153237
   0.34995781  0.38197777  0.75447868
   0.12772617  0.64708006  0.00884579
   0.39456635  0.58124271  0.36629118
   0.06323201  0.88684669  0.15911517
   0.33168586  0.82280611  0.24990567
   0.14120962  0.65267469  0.48504492
   0.38127181  0.61579443  0.88306999
   0.05673226  0.91655130  0.60314927
   0.30917618  0.96960591  0.70347915
   0.63360797  0.14139988  1.01134228
   0.88583813  0.11331310  0.38414351
   0.61948158  0.40809950  0.13267636
   0.87981474  0.27450132  0.19537277
   0.63321687  0.18071249  0.51436119
   0.88476615  0.11345354  0.87664586
   0.59184080  0.45576066  0.62064674
   0.75367962  0.35216824  0.79794412
   0.63611922  0.64529358 -0.00104269
   0.89505611  0.58786117  0.37154332
   0.56254111  0.88617810  0.13007215
   0.81244593  0.84173848  0.25696056
   0.63468203  0.65361870  0.46580846
   0.89646833  0.61096363  0.87794817
   0.60539258  0.96163482  0.63709406
   0.82574657  0.86470040  0.75895091
   0.09429128  0.04864366  0.15672013
   0.36517182  0.16908945  0.28538381
   0.11872565  0.27712537  0.04570128
   0.34512101  0.42199861  0.35164604
   0.54743107  0.34638754  0.22458919
   0.30330693  0.37555165  0.16521999
   0.28543269  0.11089610  0.45048934
   0.04707812  0.14506335  0.39976930
   0.06626906  0.07497516  0.57615877
   0.40793606  0.22579385  0.77529569
   0.15376792  0.32658321  0.52128631
   0.35339922  0.45674899  0.85999446
   0.44507381  0.45826945  0.67241494
   0.20042257  0.37548104  0.70584789
   0.31969056  0.19163247 -0.05871711
   0.04597438  0.15735851  0.89118518
   0.12197290  0.52553580  0.08184562
   0.36393819  0.66050048  0.27122026
   0.09612677  0.78178161  0.07502902
   0.39700482  0.91649610  0.33268465
   0.40263799  0.87464393  0.14413707
   0.16826147  0.84505101  0.25069115
   0.29737712  0.66595699  0.44490101
   0.05131239  0.57663374  0.40539435
   0.14627704  0.58158228  0.59249574
   0.34794696  0.68004229  0.78261311
   0.07136908  0.81163081  0.51183971
   0.35481598  0.98051683  0.81929813
   0.44940320  0.91991836  0.65180849
   0.17837369  0.88226661  0.68774120
   0.29297287  0.64845955 -0.01396373
   0.05484856  0.61305278  0.90571738
   0.61351895  0.04148299  0.10383460
   0.82266431  0.20848688  0.29538550
   0.58358457  0.30398410  0.03995485
   0.85169743  0.42243463  0.36213936
   0.03643261  0.33323377  0.20758716
   0.78517990  0.40764351  0.17251482
   0.77817960  0.14617014  0.47255320
   0.53019714  0.09057446  0.43863465
   0.60957508  0.13365976  0.62821816
   0.83443774  0.19568725  0.77933449
   0.60815993  0.34809869  0.52730029
   0.86209442  0.45232246  0.84600682
   0.95328366  0.42300397  0.60473539
   0.72371537  0.42193830  0.69511164
   0.79408692  0.14814547  0.96831953
   0.56233267  0.08402448  0.91170646
   0.60594020  0.56135532  0.09572962
   0.89071386  0.68884713  0.28467920
   0.60926286  0.80618138  0.02931353
   0.85951498  0.95338603  0.34419675
   0.90008952  0.86616442  0.16475781
   0.65214626  0.84090519  0.23013477
   0.80234668  0.63989119  0.45933647
   0.55867449  0.57015405  0.37961757
   0.61296797  0.60015540  0.57300565
   0.87975208  0.69943189  0.78458939
   0.57425263  0.80801966  0.45847927
   0.87231568  0.94656262  0.85824781
   0.91833266  0.90507643  0.66483503
   0.66548166  0.90012049  0.74418670
   0.78763131  0.65410214  0.96559046
   0.54460451  0.60991631  0.90821622
   0.68613663  0.90770173  0.56831639
   0.64839335  0.87929935  0.42771200
   0.90879742  0.18282891  0.10835188
   0.75494223  0.39565289  0.36904645
   0.28989167  0.11871399  0.67365772
   0.27547865  0.74286859  0.78620283
   0.02425426  1.10538486  0.12547296
   0.18199077  0.99273226  0.00888971
   0.61729736  0.30249477  0.84226632
   0.87464794  0.41254577  0.63381920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878828    0.244640   -0.168520
    -0.000000    9.828890   -0.286693
    -0.000000    0.000000   13.873530
   Si   O    H 
    32    64    10
Direct configuration=   513
   0.16650408  0.14868748 -0.02162275
   0.39323003  0.07706985  0.37669272
   0.14933027  0.38714435  0.12920433
   0.38039510  0.32332370  0.25939624
   0.14222382  0.16164216  0.49751274
   0.40914160  0.11490477  0.86220875
   0.11103374  0.42362074  0.61220115
   0.34844950  0.38200940  0.75394222
   0.12750839  0.64898698  0.00960701
   0.39521922  0.58105100  0.36670413
   0.06387558  0.88782302  0.15904336
   0.33155072  0.82306958  0.24893456
   0.14268709  0.65423893  0.48461476
   0.38192156  0.61608586  0.88373975
   0.05530208  0.91550332  0.60347652
   0.31035171  0.96979436  0.70298326
   0.63481753  0.14112300  1.01136420
   0.88605752  0.11359399  0.38403772
   0.62003679  0.40918511  0.13298616
   0.88104311  0.27524281  0.19576848
   0.63308885  0.18084935  0.51534479
   0.88641399  0.11475021  0.87742671
   0.59014398  0.45546119  0.62094165
   0.75251061  0.35126856  0.79946017
   0.63564017  0.64670875 -0.00009500
   0.89531475  0.58669165  0.37206268
   0.56270641  0.88566575  0.12874475
   0.81186366  0.84221566  0.25783769
   0.63569216  0.65370131  0.46630006
   0.89609140  0.61159856  0.87747639
   0.60663615  0.96181779  0.63736456
   0.82490190  0.86473496  0.75807201
   0.09337340  0.04907346  0.15633213
   0.36429065  0.16934428  0.28578271
   0.11930097  0.27774894  0.04529303
   0.34576745  0.42056883  0.35075358
   0.54754603  0.34646039  0.22481256
   0.30493481  0.37471026  0.16572534
   0.28410551  0.11322488  0.45147767
   0.04654971  0.14672683  0.40018990
   0.06492329  0.07626189  0.57623134
   0.40617641  0.22552210  0.77703238
   0.15499198  0.32623653  0.52060676
   0.35411575  0.45720464  0.85952064
   0.44449925  0.45942599  0.67312519
   0.19871638  0.37516619  0.70541400
   0.31897220  0.19265289 -0.05797648
   0.04593248  0.15682901  0.88848404
   0.11916640  0.52694117  0.08093889
   0.36504029  0.65966422  0.27018696
   0.09606781  0.78086848  0.07479516
   0.39734976  0.91786182  0.33230422
   0.40282618  0.87385839  0.14279032
   0.16776661  0.84509460  0.25015458
   0.29880607  0.66479793  0.44440832
   0.05092106  0.57745192  0.40587676
   0.14513586  0.58067177  0.59149307
   0.34918591  0.67959807  0.78328242
   0.07265518  0.81067101  0.51197102
   0.35617145  0.98153373  0.81935766
   0.44950611  0.91979168  0.65162638
   0.18005618  0.88012363  0.68777659
   0.29203875  0.64727138 -0.01513388
   0.05480773  0.61385146  0.90752847
   0.61463534  0.04114362  0.10348980
   0.82252913  0.20913811  0.29561386
   0.58260236  0.30587597  0.04083784
   0.85073603  0.42148215  0.36222346
   0.03731720  0.33387029  0.20827985
   0.78807238  0.40725407  0.17231295
   0.77802407  0.14541146  0.47360238
   0.52879976  0.09094573  0.43932213
   0.61000795  0.13222879  0.62730289
   0.83414315  0.19807270  0.77839050
   0.60686966  0.34979087  0.52566478
   0.86360441  0.45215762  0.84680908
   0.95428564  0.42234919  0.60399822
   0.72226767  0.42139777  0.69395284
   0.79360749  0.15020072  0.96923226
   0.56118259  0.08363609  0.91259850
   0.60651699  0.56118607  0.09553203
   0.89187571  0.68886722  0.28442635
   0.60801255  0.80650650  0.02840307
   0.86124402  0.95199450  0.34377462
   0.89963494  0.86555583  0.16601506
   0.65342198  0.84023559  0.22856873
   0.80253263  0.64021984  0.45955406
   0.55792029  0.56972835  0.37916528
   0.60954461  0.59973062  0.57309938
   0.87942014  0.69910355  0.78452906
   0.57157968  0.80479802  0.45823699
   0.87167806  0.94787923  0.85871097
   0.91928468  0.90425582  0.66432038
   0.66464469  0.90280075  0.74380227
   0.78703381  0.65270373  0.96555718
   0.54456921  0.60809643  0.90658758
   0.69009365  0.90375650  0.56442376
   0.65043755  0.88098365  0.42779106
   0.90036408  0.17705807  0.11009008
   0.74659987  0.39364005  0.35750291
   0.28710386  0.11869155  0.67224377
   0.27283658  0.74333645  0.78896665
   0.02863684  1.11099092  0.12860085
   0.18610784  0.99392699  0.00872915
   0.62186188  0.30239136  0.84244838
   0.87041621  0.41104687  0.64120307
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880771    0.242595   -0.166573
    -0.000000    9.826899   -0.287092
    -0.000000    0.000000   13.874698
   Si   O    H 
    32    64    10
Direct configuration=   514
   0.16644280  0.14809886 -0.02194053
   0.39317900  0.07670266  0.37713821
   0.15055698  0.38631735  0.12920260
   0.38172397  0.32347307  0.25933750
   0.14179010  0.16182582  0.49750953
   0.40876412  0.11597061  0.86244513
   0.11168736  0.42366878  0.61278458
   0.34720430  0.38118479  0.75326596
   0.12834198  0.65068444  0.01020795
   0.39565343  0.58102008  0.36740360
   0.06492967  0.88931160  0.15953565
   0.33128850  0.82288891  0.24779625
   0.14469532  0.65579396  0.48451698
   0.38262543  0.61594883  0.88427078
   0.05434023  0.91489221  0.60416924
   0.31162273  0.97027155  0.70218016
   0.63513833  0.14071304  1.01136909
   0.88602556  0.11389200  0.38388140
   0.62034121  0.40988112  0.13323980
   0.88240694  0.27639848  0.19628420
   0.63253990  0.18055807  0.51647246
   0.88767517  0.11544266  0.87755044
   0.58836275  0.45510983  0.62165961
   0.75151808  0.35045566  0.80064339
   0.63498232  0.64764754  0.00060774
   0.89506662  0.58515384  0.37261453
   0.56291908  0.88537326  0.12738450
   0.81174873  0.84211914  0.25889023
   0.63635877  0.65335409  0.46640720
   0.89581721  0.61232172  0.87665532
   0.60675324  0.96212352  0.63800874
   0.82465284  0.86433955  0.75733958
   0.09348003  0.04925150  0.15597063
   0.36309778  0.16971075  0.28592050
   0.11997897  0.27763312  0.04421685
   0.34646237  0.41961219  0.35020911
   0.54676421  0.34614297  0.22506949
   0.30600886  0.37447410  0.16641968
   0.28235427  0.11559320  0.45340673
   0.04500056  0.14839932  0.40075097
   0.06300991  0.07741111  0.57608202
   0.40473101  0.22569157  0.77896123
   0.15644104  0.32533038  0.52016526
   0.35459346  0.45810555  0.85946801
   0.44420795  0.45965437  0.67377742
   0.19738602  0.37542018  0.70464349
   0.31775842  0.19310526 -0.05743817
   0.04587756  0.15680118  0.88581237
   0.11621847  0.52877124  0.07973525
   0.36588521  0.65978717  0.26875673
   0.09613733  0.78009657  0.07401565
   0.39786561  0.91863182  0.33222983
   0.40301025  0.87261806  0.14176253
   0.16689522  0.84547453  0.24942194
   0.30041032  0.66330722  0.44445476
   0.05060761  0.57708793  0.40694938
   0.14424229  0.58043515  0.59050988
   0.35005937  0.67896543  0.78363531
   0.07333749  0.80889118  0.51211028
   0.35673893  0.98167191  0.81980622
   0.44886020  0.91867590  0.65147172
   0.18119760  0.87796399  0.68771537
   0.29072419  0.64620165 -0.01651192
   0.05467771  0.61516996  0.90920368
   0.61474836  0.04140267  0.10325713
   0.82268198  0.20839366  0.29506562
   0.58214510  0.30732337  0.04149033
   0.84957769  0.41989222  0.36194374
   0.03822324  0.33480516  0.20892017
   0.78932565  0.40653021  0.17222449
   0.77844495  0.14433066  0.47484586
   0.52811119  0.09104802  0.43978608
   0.61062692  0.13050623  0.62704386
   0.83390544  0.20067490  0.77753516
   0.60550077  0.35108214  0.52391619
   0.86554410  0.45231108  0.84810944
   0.95439141  0.42162219  0.60329174
   0.72103122  0.42121570  0.69312715
   0.79325590  0.15187881  0.96986240
   0.55989724  0.08309438  0.91290810
   0.60726233  0.56047659  0.09548633
   0.89294787  0.68930957  0.28400624
   0.60658726  0.80598872  0.02805055
   0.86256428  0.95163176  0.34353410
   0.90035170  0.86448134  0.16657009
   0.65383457  0.83934661  0.22740646
   0.80188436  0.64047639  0.45957693
   0.55770235  0.56921047  0.37874059
   0.60615933  0.59929739  0.57309942
   0.87807442  0.70025804  0.78472205
   0.57012898  0.80207762  0.45796038
   0.87089261  0.95003182  0.85849924
   0.92004333  0.90341885  0.66348250
   0.66438391  0.90515406  0.74257411
   0.78808540  0.65105029  0.96501342
   0.54489885  0.60651941  0.90476984
   0.69774360  0.89834892  0.55979574
   0.64155743  0.87516153  0.43022665
   0.89024172  0.17458015  0.11470901
   0.75343734  0.39711151  0.34734112
   0.28268711  0.11110380  0.67048839
   0.26920241  0.74363992  0.78819760
   0.02699935  1.11971633  0.13054732
   0.19077403  1.00014507  0.00778259
   0.63119740  0.30666760  0.84219174
   0.86798719  0.41325130  0.64825745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882484    0.240359   -0.164593
    -0.000000    9.824844   -0.287466
    -0.000000    0.000000   13.876277
   Si   O    H 
    32    64    10
Direct configuration=   515
   0.16649986  0.14746490 -0.02250212
   0.39247603  0.07604999  0.37701330
   0.15187994  0.38575301  0.12885594
   0.38382782  0.32378944  0.25911891
   0.14104835  0.16246611  0.49741174
   0.40891063  0.11731786  0.86287062
   0.11278243  0.42354546  0.61367730
   0.34738937  0.38056078  0.75313831
   0.12895159  0.65273417  0.01061321
   0.39564410  0.58096447  0.36782421
   0.06569792  0.89038890  0.15972832
   0.33087709  0.82238748  0.24670681
   0.14624973  0.65701418  0.48447028
   0.38364689  0.61570952  0.88516930
   0.05375841  0.91395182  0.60537172
   0.31283038  0.97099044  0.70129633
   0.63533836  0.14030709  1.01099742
   0.88602908  0.11459573  0.38389858
   0.62080756  0.41004005  0.13373170
   0.88328082  0.27741784  0.19674632
   0.63240245  0.18118276  0.51748556
   0.88895413  0.11573499  0.87726359
   0.58686043  0.45442446  0.62211426
   0.75035004  0.34991492  0.80150521
   0.63491356  0.64912117  0.00147003
   0.89446357  0.58332585  0.37288777
   0.56368098  0.88494918  0.12599866
   0.81185279  0.84209805  0.26014635
   0.63676215  0.65266371  0.46596918
   0.89536406  0.61279645  0.87614970
   0.60666978  0.96227340  0.63898018
   0.82541839  0.86378862  0.75702335
   0.09349502  0.04929500  0.15549858
   0.36150643  0.17001952  0.28631918
   0.12033567  0.27864066  0.04342302
   0.34727541  0.41892366  0.34950674
   0.54570805  0.34664747  0.22547530
   0.30632357  0.37440369  0.16698607
   0.28118891  0.11742315  0.45509896
   0.04318020  0.15033567  0.40140105
   0.06180392  0.07818922  0.57587512
   0.40297544  0.22618869  0.78024063
   0.15825564  0.32385174  0.51943694
   0.35615804  0.45858177  0.85920921
   0.44423334  0.45984713  0.67465841
   0.19602802  0.37546733  0.70357456
   0.31655846  0.19269193 -0.05696254
   0.04615505  0.15741221  0.88416048
   0.11290262  0.53013726  0.07918668
   0.36641967  0.66015802  0.26792086
   0.09708209  0.78007997  0.07301289
   0.39799164  0.91941842  0.33263828
   0.40305484  0.87190484  0.14192246
   0.16618578  0.84569987  0.24882187
   0.30119302  0.66178898  0.44491279
   0.05060211  0.57728445  0.40812778
   0.14366662  0.58004433  0.58900015
   0.35061523  0.67864189  0.78404221
   0.07425447  0.80751983  0.51224946
   0.35678004  0.98225800  0.82000010
   0.44732730  0.91711448  0.65024812
   0.18239766  0.87657828  0.68764546
   0.28947611  0.64441228 -0.01802426
   0.05366782  0.61594314  0.91052977
   0.61466044  0.04173021  0.10388966
   0.82305846  0.20713227  0.29465278
   0.58276019  0.30837792  0.04194103
   0.84834081  0.41888822  0.36144680
   0.03971328  0.33539389  0.20948444
   0.78907141  0.40613651  0.17167397
   0.78030741  0.14282621  0.47587596
   0.52826185  0.09150878  0.44035185
   0.61186333  0.12789606  0.62670694
   0.83425683  0.20362259  0.77741269
   0.60421971  0.35183771  0.52299204
   0.86705735  0.45187691  0.84914310
   0.95299214  0.42089859  0.60278482
   0.72048736  0.42138201  0.69239663
   0.79268729  0.15337271  0.97052641
   0.55822354  0.08306708  0.91304408
   0.60803547  0.56057302  0.09519176
   0.89389675  0.68955204  0.28377112
   0.60541978  0.80611315  0.02794454
   0.86444833  0.95059988  0.34288824
   0.90172908  0.86474952  0.16713979
   0.65335176  0.83796713  0.22621998
   0.80014947  0.64064521  0.45998018
   0.55766339  0.56818478  0.37881621
   0.60314203  0.59970984  0.57299123
   0.87684790  0.70218249  0.78479332
   0.56981805  0.80087664  0.45710098
   0.86927807  0.95177848  0.85732411
   0.91948008  0.90239269  0.66268955
   0.66473830  0.90658602  0.74046669
   0.78930746  0.64931512  0.96399296
   0.54591298  0.60504769  0.90300634
   0.70096149  0.89669775  0.55829323
   0.61811931  0.85899063  0.43488972
   0.88122992  0.17446517  0.11925116
   0.76092899  0.40042553  0.33846030
   0.27815203  0.10378937  0.66893302
   0.27039997  0.74254979  0.78713385
   0.02420621  1.11826446  0.13290312
   0.19190019  1.00835351  0.00620907
   0.63327893  0.31287818  0.84329437
   0.87236464  0.41821677  0.65115912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884266    0.238306   -0.162641
    -0.000000    9.822855   -0.287817
    -0.000000    0.000000   13.878027
   Si   O    H 
    32    64    10
Direct configuration=   516
   0.16715447  0.14672863 -0.02331033
   0.39196638  0.07533020  0.37725876
   0.15288208  0.38486463  0.12893762
   0.38628562  0.32411650  0.25877687
   0.14017148  0.16385255  0.49693007
   0.40830998  0.11870124  0.86331048
   0.11354715  0.42370079  0.61421328
   0.34733195  0.38053379  0.75285724
   0.12906275  0.65458125  0.01126729
   0.39539840  0.58158660  0.36802133
   0.06642971  0.89145242  0.15988486
   0.33112684  0.82192203  0.24591893
   0.14694347  0.65839467  0.48467194
   0.38412740  0.61583450  0.88612882
   0.05357101  0.91238974  0.60635148
   0.31426865  0.97167632  0.70107151
   0.63517400  0.14025688  1.01052347
   0.88605019  0.11510032  0.38394798
   0.62157386  0.41012491  0.13436132
   0.88431811  0.27858263  0.19693303
   0.63279950  0.18234638  0.51806898
   0.89028739  0.11650211  0.87673702
   0.58591763  0.45388567  0.62233566
   0.74985261  0.34929481  0.80179284
   0.63442802  0.65026805  0.00213991
   0.89392942  0.58135345  0.37310667
   0.56467939  0.88511047  0.12483786
   0.81214548  0.84163323  0.26158293
   0.63714624  0.65246183  0.46552147
   0.89498678  0.61333062  0.87592622
   0.60612592  0.96243292  0.63984276
   0.82625864  0.86364117  0.75675307
   0.09405366  0.04987503  0.15483786
   0.35996242  0.16974715  0.28682115
   0.12029180  0.27954509  0.04282809
   0.34799852  0.41826491  0.34878593
   0.54576688  0.34668042  0.22557374
   0.30618397  0.37416927  0.16776368
   0.27934575  0.11866750  0.45624498
   0.04101144  0.15220796  0.40223228
   0.06042488  0.07909720  0.57520608
   0.40210769  0.22657990  0.78048882
   0.15963265  0.32299518  0.51897060
   0.35766751  0.45929554  0.85945179
   0.44473945  0.45996006  0.67525219
   0.19543440  0.37540284  0.70305900
   0.31446774  0.19276638 -0.05595451
   0.04641102  0.15724366  0.88325863
   0.10945873  0.53037533  0.07907858
   0.36705435  0.66109292  0.26689268
   0.09873947  0.78009813  0.07242181
   0.39808616  0.92043616  0.33241928
   0.40280707  0.87119664  0.14250367
   0.16623380  0.84520799  0.24814387
   0.30126074  0.66039299  0.44520677
   0.05059932  0.57702450  0.40947259
   0.14220964  0.58014301  0.58669695
   0.35065937  0.67918821  0.78479607
   0.07562482  0.80520602  0.51242388
   0.35607920  0.98133845  0.82016342
   0.44626665  0.91517588  0.64894788
   0.18272655  0.87517355  0.68695909
   0.28777087  0.64311942 -0.01945987
   0.05328564  0.61766209  0.91175023
   0.61400701  0.04280134  0.10412300
   0.82344186  0.20540295  0.29414701
   0.58326135  0.30936024  0.04170281
   0.84859945  0.41944830  0.36137506
   0.04117745  0.33690828  0.20948910
   0.78789891  0.40654474  0.17090569
   0.78301704  0.14122172  0.47676681
   0.52928522  0.09165854  0.44092273
   0.61268826  0.12562407  0.62658973
   0.83406426  0.20515008  0.77743659
   0.60247210  0.35225894  0.52267844
   0.86782056  0.45049693  0.85013466
   0.95100856  0.42015769  0.60282515
   0.72082700  0.42167440  0.69207810
   0.79139280  0.15538391  0.97050389
   0.55676670  0.08371235  0.91299085
   0.60869652  0.56070311  0.09402783
   0.89405880  0.69027910  0.28318908
   0.60424097  0.80668683  0.02804572
   0.86650575  0.94923648  0.34298267
   0.90412111  0.86488612  0.16715682
   0.65293638  0.83669711  0.22517805
   0.79759243  0.64096451  0.45998818
   0.55787512  0.56628441  0.37873122
   0.60102161  0.60017257  0.57304475
   0.87602451  0.70456268  0.78429336
   0.56838404  0.79810832  0.45632187
   0.86783375  0.95277049  0.85620979
   0.91843781  0.90127552  0.66238005
   0.66615701  0.90785072  0.73848761
   0.79072850  0.64708194  0.96313632
   0.54697524  0.60412388  0.90213401
   0.69940524  0.90091546  0.56214440
   0.61805229  0.87202829  0.42821929
   0.87670617  0.17143260  0.12310949
   0.75614923  0.40285990  0.32905866
   0.27016295  0.09931612  0.66831657
   0.27662432  0.73534013  0.78611153
   0.01955143  1.11104859  0.13562911
   0.19316147  1.01506348  0.00327117
   0.62616816  0.32003817  0.84720106
   0.88333553  0.42419102  0.64788781
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885575    0.236093   -0.160563
    -0.000000    9.820513   -0.288161
    -0.000000    0.000000   13.879689
   Si   O    H 
    32    64    10
Direct configuration=   517
   0.16827901  0.14643529 -0.02402634
   0.39147987  0.07504785  0.37742963
   0.15373214  0.38467117  0.12918587
   0.38882461  0.32410824  0.25874992
   0.13915522  0.16470265  0.49642360
   0.40803277  0.12017152  0.86344848
   0.11387053  0.42431269  0.61445801
   0.34780277  0.37979681  0.75262413
   0.12952252  0.65598418  0.01146588
   0.39532709  0.58200539  0.36772277
   0.06597973  0.89162352  0.16010578
   0.33051084  0.82221082  0.24513179
   0.14799589  0.65957490  0.48484405
   0.38420053  0.61569365  0.88723926
   0.05424010  0.91064401  0.60729711
   0.31594141  0.97216465  0.70087021
   0.63554117  0.14001382  1.01016408
   0.88523467  0.11514127  0.38374891
   0.62277981  0.41000901  0.13469950
   0.88487651  0.27972301  0.19768318
   0.63268661  0.18350539  0.51851242
   0.89133732  0.11776901  0.87611787
   0.58534780  0.45395330  0.62279107
   0.74964311  0.34896797  0.80179106
   0.63448979  0.65134572  0.00211546
   0.89417142  0.57979085  0.37348721
   0.56606995  0.88519639  0.12390055
   0.81259032  0.84093780  0.26262910
   0.63801975  0.65219376  0.46506961
   0.89491158  0.61281772  0.87580043
   0.60506385  0.96233389  0.64030322
   0.82704782  0.86357655  0.75690744
   0.09497234  0.05111218  0.15443616
   0.35758381  0.16995360  0.28698174
   0.11968729  0.28043416  0.04239669
   0.34814207  0.41868304  0.34864640
   0.54605490  0.34652828  0.22563579
   0.30595394  0.37352505  0.16902868
   0.27803800  0.11885444  0.45710834
   0.03838973  0.15463720  0.40281502
   0.05899236  0.07989437  0.57515467
   0.40105994  0.22675409  0.77978000
   0.16030162  0.32142086  0.51925224
   0.35902469  0.45929662  0.85938702
   0.44478281  0.46008579  0.67647888
   0.19543559  0.37568252  0.70355831
   0.31219219  0.19350089 -0.05473329
   0.04730909  0.15731923  0.88267534
   0.10643952  0.53051900  0.07976797
   0.36825816  0.66268336  0.26613126
   0.10110258  0.78130408  0.07213222
   0.39822134  0.92152887  0.33223209
   0.40235003  0.87098537  0.14335172
   0.16696438  0.84440121  0.24756960
   0.30213946  0.65893030  0.44590277
   0.05111300  0.57716459  0.41000040
   0.14104149  0.58012586  0.58477929
   0.35173267  0.67898439  0.78435017
   0.07686604  0.80415545  0.51194818
   0.35531774  0.98023652  0.81970327
   0.44578768  0.91317371  0.64752221
   0.18291953  0.87372219  0.68598797
   0.28565341  0.64247156 -0.02102656
   0.05282324  0.61924681  0.91229245
   0.61371946  0.04357486  0.10365021
   0.82337264  0.20312005  0.29387862
   0.58379544  0.31034730  0.04112032
   0.84909148  0.42032855  0.36151837
   0.04294577  0.33794259  0.20974457
   0.78641342  0.40720993  0.17034237
   0.78587977  0.13983403  0.47786253
   0.53175161  0.09257690  0.44201956
   0.61363591  0.12471826  0.62605704
   0.83327060  0.20708227  0.77788945
   0.60150418  0.35238699  0.52257432
   0.86903678  0.44944436  0.85101547
   0.94926986  0.41992341  0.60329897
   0.72048278  0.42192904  0.69122741
   0.79081607  0.15683363  0.97013051
   0.55564420  0.08549042  0.91267187
   0.60824993  0.56072806  0.09307343
   0.89346855  0.69047425  0.28258017
   0.60268404  0.80725052  0.02815779
   0.86835040  0.94879227  0.34294315
   0.90647415  0.86619155  0.16754752
   0.65227888  0.83559266  0.22390882
   0.79602687  0.64123119  0.46018216
   0.55771064  0.56544027  0.37908698
   0.59936526  0.60091943  0.57306613
   0.87569209  0.70778963  0.78395282
   0.56733878  0.79595583  0.45592871
   0.86594633  0.95373299  0.85482069
   0.91744463  0.89926860  0.66252145
   0.66829726  0.90880740  0.73721678
   0.79279878  0.64459882  0.96276933
   0.54804349  0.60342702  0.90188628
   0.69506723  0.90665424  0.56438539
   0.61748686  0.88258261  0.42361086
   0.87472657  0.16573443  0.12584892
   0.75933706  0.40836117  0.32351361
   0.26359840  0.09947553  0.66671519
   0.26801807  0.73657899  0.78307852
   0.01466894  1.10452269  0.13738208
   0.19741713  1.01195138  0.00214977
   0.61740136  0.32396413  0.85468204
   0.88584820  0.43140576  0.64849329
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887016    0.233821   -0.158495
    -0.000000    9.818279   -0.288438
    -0.000000    0.000000   13.881318
   Si   O    H 
    32    64    10
Direct configuration=   518
   0.16922940  0.14644789 -0.02440074
   0.39128567  0.07469067  0.37789263
   0.15376696  0.38519331  0.12901652
   0.39150535  0.32395620  0.25871148
   0.13785293  0.16639764  0.49570967
   0.40758931  0.12121440  0.86379413
   0.11394586  0.42552536  0.61423581
   0.34823324  0.37937999  0.75284308
   0.13030783  0.65693979  0.01124212
   0.39485713  0.58146745  0.36717732
   0.06561908  0.89126957  0.16068339
   0.32983242  0.82257463  0.24501743
   0.14859444  0.66103467  0.48526892
   0.38455705  0.61549389  0.88860043
   0.05470138  0.90931933  0.60802002
   0.31767425  0.97211758  0.70039479
   0.63590154  0.14015959  1.00976952
   0.88431020  0.11493357  0.38344910
   0.62431683  0.40977625  0.13472709
   0.88524351  0.28125455  0.19809748
   0.63296230  0.18484547  0.51867578
   0.89193540  0.11886003  0.87524718
   0.58441913  0.45323480  0.62317919
   0.74923331  0.34874349  0.80152423
   0.63418635  0.65197695  0.00154316
   0.89458871  0.57900183  0.37368453
   0.56709135  0.88602420  0.12327231
   0.81328788  0.84020320  0.26330075
   0.63856617  0.65129450  0.46520948
   0.89452522  0.61199627  0.87547784
   0.60401597  0.96226315  0.64035473
   0.82833385  0.86339654  0.75683221
   0.09692150  0.05182814  0.15404751
   0.35559075  0.16999598  0.28694798
   0.11943568  0.28168129  0.04143849
   0.34867792  0.41975025  0.34858820
   0.54570941  0.34681440  0.22553161
   0.30585763  0.37323843  0.16928440
   0.27725114  0.11816150  0.45760241
   0.03599362  0.15730207  0.40384258
   0.05826376  0.08052252  0.57477522
   0.40027908  0.22827264  0.77880296
   0.16019200  0.32111180  0.51953804
   0.36002258  0.45849267  0.85878023
   0.44401582  0.46023190  0.67793584
   0.19548386  0.37563541  0.70482615
   0.31106239  0.19410314 -0.05394631
   0.04860291  0.15665933  0.88232922
   0.10385538  0.52995602  0.08056769
   0.36981794  0.66439189  0.26596206
   0.10321030  0.78354555  0.07210047
   0.39777355  0.92214522  0.33192458
   0.40294037  0.87017739  0.14366884
   0.16825979  0.84431105  0.24703820
   0.30298755  0.65719144  0.44633308
   0.05193021  0.57782892  0.41091465
   0.14013365  0.57873967  0.58278007
   0.35214557  0.67819268  0.78304240
   0.07810219  0.80357084  0.51226803
   0.35383324  0.97909453  0.81925425
   0.44607816  0.91075243  0.64560594
   0.18282343  0.87267071  0.68493936
   0.28474262  0.64233862 -0.02226339
   0.05074444  0.62097268  0.91220922
   0.61348265  0.04362955  0.10348723
   0.82321164  0.20052219  0.29376900
   0.58462357  0.31008026  0.04060434
   0.85002527  0.42158660  0.36159843
   0.04506852  0.33951108  0.21025715
   0.78468022  0.40757015  0.16989554
   0.78888533  0.13816079  0.47895345
   0.53436458  0.09486880  0.44293052
   0.61402175  0.12467938  0.62518316
   0.83329709  0.20822568  0.77885463
   0.60088682  0.35178034  0.52216734
   0.87028977  0.44795976  0.85177160
   0.94798000  0.41941148  0.60372833
   0.71996507  0.42160074  0.69113535
   0.79138880  0.15841789  0.96920632
   0.55413098  0.08662380  0.91285686
   0.60820054  0.56118723  0.09200256
   0.89157645  0.69074547  0.28175496
   0.60108621  0.80768575  0.02806376
   0.87057555  0.94820501  0.34270402
   0.90840120  0.86707350  0.16825393
   0.65210269  0.83366206  0.22311973
   0.79525598  0.64204806  0.45959578
   0.55803678  0.56482097  0.37982372
   0.59743845  0.60161311  0.57302011
   0.87554583  0.71159429  0.78371246
   0.56647357  0.79500241  0.45467212
   0.86503640  0.95448648  0.85415197
   0.91684731  0.89772241  0.66250115
   0.67089506  0.90886787  0.73639929
   0.79408686  0.64234914  0.96287163
   0.54908131  0.60440627  0.90167068
   0.69291998  0.91171118  0.56624878
   0.61110509  0.88029942  0.42184693
   0.87749675  0.16306718  0.13001839
   0.77069879  0.41577533  0.32237067
   0.25773301  0.10348064  0.66603145
   0.26303389  0.73561988  0.77912058
   0.00614815  1.10035642  0.13829677
   0.20179771  1.00533050 -0.00073525
   0.61771306  0.32884620  0.85782508
   0.87976189  0.43673412  0.65312859
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887866    0.231878   -0.156654
    -0.000000    9.816163   -0.288155
    -0.000000    0.000000   13.882922
   Si   O    H 
    32    64    10
Direct configuration=   519
   0.16903170  0.14664235 -0.02497915
   0.39169382  0.07475708  0.37818678
   0.15405915  0.38587882  0.12876435
   0.39395759  0.32422803  0.25882066
   0.13669337  0.16802955  0.49490776
   0.40672450  0.12248286  0.86401347
   0.11328011  0.42643731  0.61376840
   0.34866840  0.37922351  0.75279538
   0.13140257  0.65748789  0.01078408
   0.39463678  0.58078400  0.36606322
   0.06544450  0.89121996  0.16113226
   0.32938582  0.82273398  0.24518998
   0.14908431  0.66208990  0.48530440
   0.38578487  0.61463847  0.88941671
   0.05472100  0.90799597  0.60844752
   0.31882726  0.97272165  0.70020061
   0.63597994  0.14158857  1.00926126
   0.88297870  0.11478575  0.38309863
   0.62625516  0.40948803  0.13449281
   0.88629536  0.28253013  0.19891738
   0.63415140  0.18651207  0.51837747
   0.89254927  0.11955332  0.87401404
   0.58412093  0.45237293  0.62358600
   0.74923163  0.34851550  0.80139919
   0.63446751  0.65228200  0.00061605
   0.89464883  0.57795021  0.37400974
   0.56835560  0.88727697  0.12334688
   0.81417013  0.83920072  0.26393002
   0.63852570  0.64985910  0.46530811
   0.89441047  0.61118516  0.87503237
   0.60293012  0.96197459  0.63989200
   0.83022523  0.86390450  0.75669722
   0.09845895  0.05237928  0.15406944
   0.35333054  0.16954558  0.28647708
   0.11934395  0.28196222  0.04090885
   0.34898100  0.42063934  0.34889810
   0.54541912  0.34698409  0.22490620
   0.30492776  0.37334771  0.16893530
   0.27687070  0.11674083  0.45763410
   0.03399388  0.15991911  0.40440748
   0.05764623  0.08134012  0.57431754
   0.39983968  0.22954263  0.77758820
   0.15982045  0.32172601  0.52067871
   0.36061913  0.45697405  0.85830124
   0.44355875  0.45975744  0.67917367
   0.19508162  0.37593818  0.70667041
   0.31027979  0.19425730 -0.05380701
   0.05035150  0.15612752  0.88272151
   0.10111463  0.52908322  0.08236958
   0.37057168  0.66541364  0.26616511
   0.10557512  0.78758139  0.07270957
   0.39765423  0.92292068  0.33190232
   0.40341876  0.86920106  0.14358175
   0.16970811  0.84524480  0.24654166
   0.30351858  0.65599626  0.44684947
   0.05291752  0.57854364  0.41127845
   0.14013841  0.57808902  0.58159835
   0.35138253  0.67805195  0.78137720
   0.07859458  0.80383277  0.51241333
   0.35258254  0.97821790  0.81851824
   0.44675802  0.90776290  0.64327765
   0.18282072  0.87248462  0.68432451
   0.28415683  0.64273851 -0.02378141
   0.04821961  0.62321199  0.91156876
   0.61335691  0.04430841  0.10307355
   0.82351360  0.19764284  0.29324208
   0.58596960  0.30902270  0.04008466
   0.85122135  0.42351566  0.36185806
   0.04662240  0.34107628  0.21149481
   0.78338842  0.40697531  0.16965170
   0.79186772  0.13783467  0.48001668
   0.53686633  0.09679601  0.44347635
   0.61480379  0.12440185  0.62398329
   0.83367534  0.20867911  0.78036178
   0.60059377  0.35125727  0.52223418
   0.87081226  0.44694692  0.85227670
   0.94619267  0.41910892  0.60417059
   0.71917846  0.41999733  0.69109393
   0.79287594  0.15971375  0.96836581
   0.55330400  0.08758538  0.91356915
   0.60802575  0.56239796  0.09090552
   0.88915739  0.69074309  0.28111555
   0.59906259  0.80822962  0.02796647
   0.87290491  0.94794075  0.34312796
   0.90969199  0.86839798  0.16904847
   0.65142889  0.83263699  0.22320726
   0.79587496  0.64314996  0.45860954
   0.55888126  0.56457703  0.38071278
   0.59562314  0.60184467  0.57289283
   0.87539081  0.71560665  0.78351640
   0.56649560  0.79600348  0.45323878
   0.86434856  0.95483509  0.85335312
   0.91543894  0.89547564  0.66258212
   0.67391254  0.90824888  0.73660034
   0.79559410  0.64039569  0.96364255
   0.55025657  0.60511773  0.90191742
   0.69357377  0.91454142  0.56830208
   0.59640778  0.86456982  0.42461150
   0.88087161  0.15996594  0.13179883
   0.77556292  0.42052552  0.31908223
   0.25693630  0.10628563  0.66487590
   0.27059125  0.72855190  0.77349925
   0.00480744  1.09236894  0.13817693
   0.20786219  0.99834789 -0.00146420
   0.62547680  0.33675679  0.85684788
   0.87447192  0.44003689  0.65691285
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889086    0.229329   -0.154693
    -0.000000    9.813906   -0.287997
    -0.000000    0.000000   13.883758
   Si   O    H 
    32    64    10
Direct configuration=   520
   0.16834704  0.14709440 -0.02548505
   0.39202325  0.07513145  0.37850755
   0.15336547  0.38654194  0.12857555
   0.39589968  0.32430533  0.25885942
   0.13557184  0.16960399  0.49412036
   0.40629585  0.12317362  0.86405904
   0.11238273  0.42730353  0.61313704
   0.34920517  0.37978654  0.75267793
   0.13251684  0.65708104  0.01034642
   0.39403452  0.58013257  0.36486445
   0.06537252  0.89129899  0.16135074
   0.32981841  0.82254300  0.24566880
   0.14901014  0.66271870  0.48542976
   0.38592887  0.61362241  0.88973765
   0.05486990  0.90714051  0.60841659
   0.31968083  0.97335279  0.70033007
   0.63607073  0.14312311  1.00921851
   0.88237481  0.11429770  0.38295529
   0.62746394  0.40862734  0.13422718
   0.88717775  0.28305443  0.19914285
   0.63537160  0.18754482  0.51813152
   0.89288437  0.12055077  0.87282031
   0.58392291  0.45168710  0.62371613
   0.74974496  0.34808284  0.80141349
   0.63484865  0.65218604 -0.00034691
   0.89488364  0.57748469  0.37418661
   0.56910492  0.88875442  0.12402277
   0.81472624  0.83836417  0.26414569
   0.63798333  0.64867607  0.46554531
   0.89437586  0.61058722  0.87505960
   0.60181418  0.96190580  0.63987326
   0.83261326  0.86474790  0.75662297
   0.09947681  0.05307221  0.15439263
   0.35207433  0.16914271  0.28571391
   0.11950055  0.28194561  0.04050183
   0.34980344  0.42133361  0.34862246
   0.54428316  0.34716514  0.22426756
   0.30440523  0.37415640  0.16827001
   0.27768824  0.11593834  0.45737330
   0.03184122  0.16156177  0.40440771
   0.05763014  0.08012633  0.57412393
   0.39964354  0.23031091  0.77648928
   0.15860127  0.32323813  0.52215832
   0.36100238  0.45483074  0.85798957
   0.44403960  0.45938066  0.68015728
   0.19419643  0.37526759  0.70838353
   0.30954897  0.19469734 -0.05307881
   0.05150840  0.15550584  0.88342548
   0.09915216  0.52821201  0.08419217
   0.37207204  0.66677091  0.26666255
   0.10854908  0.79180066  0.07351447
   0.39801076  0.92323580  0.33252997
   0.40362385  0.86801508  0.14401938
   0.17098809  0.84610199  0.24651428
   0.30430340  0.65454535  0.44791692
   0.05389597  0.57900572  0.41143149
   0.13918563  0.57793405  0.58041022
   0.35150914  0.67784586  0.77969758
   0.07876637  0.80520555  0.51297313
   0.35124055  0.97719744  0.81772537
   0.44789724  0.90437737  0.64081651
   0.18324020  0.87240016  0.68374576
   0.28416203  0.64308561 -0.02510970
   0.04652779  0.62565564  0.91163483
   0.61410933  0.04568442  0.10303507
   0.82293626  0.19582368  0.29187354
   0.58753275  0.30750443  0.03969104
   0.85246121  0.42611961  0.36227782
   0.04686315  0.34272654  0.21227532
   0.78209951  0.40645328  0.16964800
   0.79390683  0.13752148  0.48062969
   0.53860102  0.09916609  0.44347925
   0.61577463  0.12413643  0.62327398
   0.83352362  0.20851037  0.78182169
   0.59991659  0.35048033  0.52201310
   0.87093451  0.44592417  0.85215720
   0.94397993  0.41900777  0.60503114
   0.71812817  0.41758855  0.69069596
   0.79510149  0.16119374  0.96764727
   0.55184444  0.08882917  0.91372809
   0.60731962  0.56344794  0.09019520
   0.88621995  0.69010836  0.28078396
   0.59705005  0.80885299  0.02759242
   0.87437861  0.94794151  0.34350552
   0.90972147  0.86977300  0.16961109
   0.65131135  0.83148282  0.22327360
   0.79714852  0.64324578  0.45750415
   0.55979736  0.56377808  0.38178311
   0.59371947  0.60094096  0.57280547
   0.87520151  0.71847432  0.78330052
   0.56645347  0.79571886  0.45262584
   0.86406135  0.95488858  0.85290103
   0.91374550  0.89370421  0.66267053
   0.67653712  0.90816681  0.73719497
   0.79661819  0.63900818  0.96464684
   0.55125943  0.60590672  0.90215599
   0.69212628  0.91274880  0.56469104
   0.59371572  0.87061496  0.41942334
   0.88436570  0.15817013  0.13199142
   0.77511107  0.42256851  0.31347932
   0.25967599  0.10722446  0.66496108
   0.27156361  0.72507262  0.76798389
   0.00977228  1.08293606  0.13796876
   0.20982738  0.99405964 -0.00126452
   0.63313569  0.34340133  0.85444716
   0.87822831  0.43937647  0.65468386
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890102    0.227040   -0.152723
    -0.000000    9.811998   -0.287988
    -0.000000    0.000000   13.884717
   Si   O    H 
    32    64    10
Direct configuration=   521
   0.16755034  0.14716460 -0.02553269
   0.39186643  0.07591969  0.37911142
   0.15306565  0.38736052  0.12792558
   0.39789585  0.32427830  0.25859330
   0.13448281  0.17066182  0.49330592
   0.40551903  0.12369381  0.86399075
   0.11118697  0.42833869  0.61262358
   0.34965853  0.38068969  0.75274470
   0.13340768  0.65657561  0.00989667
   0.39311632  0.57952293  0.36314005
   0.06535039  0.89180369  0.16136722
   0.33046036  0.82248425  0.24625188
   0.14910616  0.66278541  0.48622308
   0.38605622  0.61261605  0.88938317
   0.05504816  0.90690992  0.60819630
   0.32004396  0.97444697  0.69993027
   0.63634689  0.14528660  1.00946824
   0.88238757  0.11354252  0.38238554
   0.62872936  0.40799183  0.13371945
   0.88835383  0.28317329  0.19922434
   0.63683011  0.18929053  0.51761881
   0.89286300  0.12099632  0.87190511
   0.58464902  0.45126639  0.62367333
   0.75032736  0.34838754  0.80109135
   0.63507020  0.65239855 -0.00145317
   0.89583484  0.57790393  0.37426630
   0.57027506  0.89037989  0.12478976
   0.81571516  0.83711707  0.26410010
   0.63745459  0.64734716  0.46588784
   0.89478751  0.61018896  0.87491914
   0.60086098  0.96185680  0.63965117
   0.83396141  0.86587289  0.75632018
   0.10044915  0.05379462  0.15516639
   0.35144435  0.16902676  0.28542158
   0.12015375  0.28110737  0.03990212
   0.35064080  0.42172479  0.34869205
   0.54327621  0.34709217  0.22403819
   0.30358108  0.37474387  0.16782932
   0.27953667  0.11394130  0.45752901
   0.03051714  0.16340105  0.40394775
   0.05875282  0.07833576  0.57408406
   0.39964290  0.23020917  0.77505119
   0.15714021  0.32501360  0.52366715
   0.36164461  0.45205560  0.85740460
   0.44492376  0.45881532  0.68090166
   0.19359648  0.37422346  0.70930843
   0.30960559  0.19490973 -0.05281037
   0.05282329  0.15450838  0.88440325
   0.09803165  0.52828919  0.08512742
   0.37425242  0.66742180  0.26683105
   0.11121111  0.79547570  0.07397543
   0.39724855  0.92311350  0.33301584
   0.40410338  0.86653983  0.14403654
   0.17166361  0.84707253  0.24592929
   0.30504229  0.65291740  0.44846200
   0.05481756  0.57946584  0.41142351
   0.13919090  0.57792158  0.57961756
   0.35213633  0.67693247  0.77868068
   0.07860939  0.80656375  0.51343845
   0.34987567  0.97662329  0.81704907
   0.44889572  0.90136318  0.63872319
   0.18348324  0.87268431  0.68353045
   0.28455690  0.64387921 -0.02635634
   0.04483030  0.62869087  0.91189677
   0.61455658  0.04679497  0.10277867
   0.82188651  0.19400474  0.29067934
   0.58913473  0.30590025  0.03984279
   0.85253487  0.42857906  0.36204984
   0.04676743  0.34433594  0.21295251
   0.78081341  0.40633975  0.16992813
   0.79543240  0.13718442  0.48095839
   0.54064182  0.10136057  0.44329144
   0.61599146  0.12423705  0.62402067
   0.83311278  0.20831303  0.78345029
   0.59932538  0.34929082  0.52205090
   0.87089474  0.44479088  0.85186652
   0.94207491  0.41942398  0.60584766
   0.71711514  0.41492011  0.69052581
   0.79695547  0.16257543  0.96674436
   0.55047766  0.09038201  0.91384878
   0.60618300  0.56403511  0.09049048
   0.88266562  0.68924301  0.28089521
   0.59561446  0.80921649  0.02690097
   0.87601062  0.94804904  0.34393947
   0.90951134  0.87071528  0.17080422
   0.65252404  0.82998273  0.22383526
   0.79824111  0.64400372  0.45642967
   0.56080668  0.56316748  0.38322635
   0.59241302  0.60031726  0.57307938
   0.87531283  0.72085344  0.78380758
   0.56643578  0.79614486  0.45203264
   0.86350681  0.95581154  0.85225045
   0.91254609  0.89124964  0.66202817
   0.67825382  0.90756296  0.73836068
   0.79690619  0.63828594  0.96509857
   0.55205953  0.60695957  0.90302014
   0.69078071  0.90651695  0.55886319
   0.59837633  0.88362036  0.41555283
   0.89012624  0.16138127  0.13404804
   0.77797725  0.42754660  0.31225154
   0.26302285  0.10544759  0.66476629
   0.26294167  0.72963505  0.75954530
   0.00991552  1.08181700  0.13452802
   0.21078269  0.99802306 -0.00225634
   0.63359215  0.34798075  0.85429531
   0.88142366  0.43866178  0.65285491
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890864    0.225022   -0.151195
    -0.000000    9.810530   -0.288310
    -0.000000    0.000000   13.885574
   Si   O    H 
    32    64    10
Direct configuration=   522
   0.16634043  0.14685735 -0.02544153
   0.39172272  0.07641631  0.37965210
   0.15187383  0.38797335  0.12732390
   0.39902499  0.32412147  0.25817957
   0.13358438  0.17162571  0.49247668
   0.40463557  0.12381812  0.86371825
   0.11030175  0.42939565  0.61196196
   0.35011304  0.38150449  0.75292442
   0.13476603  0.65587045  0.00943168
   0.39271819  0.57891636  0.36186124
   0.06507223  0.89208604  0.16144142
   0.33158747  0.82295389  0.24660044
   0.14935330  0.66218472  0.48664651
   0.38602812  0.61086246  0.88883737
   0.05504436  0.90718611  0.60782275
   0.32079216  0.97498126  0.69999269
   0.63679989  0.14717585  1.00970473
   0.88160594  0.11311296  0.38184117
   0.63001872  0.40762032  0.13338835
   0.88971533  0.28361714  0.19947070
   0.63811640  0.19104829  0.51678611
   0.89291652  0.12078882  0.87108407
   0.58541149  0.45113829  0.62300559
   0.75141219  0.34885474  0.80043050
   0.63543663  0.65173525 -0.00267374
   0.89721694  0.57856412  0.37399228
   0.57111622  0.89154057  0.12574582
   0.81642974  0.83577659  0.26404769
   0.63782400  0.64666389  0.46641360
   0.89501550  0.61034487  0.87457513
   0.60049077  0.96131823  0.63947642
   0.83495516  0.86740741  0.75605304
   0.10115500  0.05403969  0.15558446
   0.35184244  0.16913675  0.28482539
   0.12039220  0.27943256  0.03902601
   0.35179657  0.42164717  0.34837041
   0.54354085  0.34645102  0.22420949
   0.30265297  0.37542872  0.16714171
   0.28199828  0.11191513  0.45744358
   0.02953766  0.16586985  0.40376299
   0.05996923  0.07666084  0.57335433
   0.39913973  0.23058534  0.77366445
   0.15657631  0.32691074  0.52460253
   0.36249866  0.44988357  0.85742839
   0.44607458  0.45786803  0.68150733
   0.19329930  0.37351832  0.70987949
   0.31069783  0.19457653 -0.05326720
   0.05350545  0.15309204  0.88535194
   0.09735429  0.52871283  0.08617688
   0.37630416  0.66773292  0.26673100
   0.11379197  0.79820213  0.07368660
   0.39635749  0.92333282  0.33331978
   0.40471213  0.86494545  0.14446113
   0.17274623  0.84769203  0.24583476
   0.30583156  0.65080464  0.44885080
   0.05518749  0.57963152  0.41137603
   0.14001296  0.57803021  0.57895054
   0.35203025  0.67730707  0.77761736
   0.07932685  0.80866699  0.51433570
   0.34901539  0.97644432  0.81648425
   0.44914750  0.89936097  0.63712265
   0.18411089  0.87261401  0.68302955
   0.28503961  0.64400829 -0.02748821
   0.04442193  0.63122373  0.91229929
   0.61534853  0.04829476  0.10261213
   0.82055260  0.19183661  0.28914568
   0.59090420  0.30393954  0.03986246
   0.85149707  0.43035170  0.36151466
   0.04584761  0.34635491  0.21346971
   0.77985576  0.40565685  0.17045534
   0.79630413  0.13646128  0.48123178
   0.54278152  0.10281341  0.44273327
   0.61698314  0.12398398  0.62481354
   0.83268183  0.20815669  0.78464987
   0.59924219  0.34767432  0.52259130
   0.87096709  0.44384107  0.85079582
   0.94138598  0.41989415  0.60620427
   0.71601758  0.41214950  0.69106427
   0.79900464  0.16408772  0.96613347
   0.54950182  0.09198215  0.91373910
   0.60482420  0.56498023  0.09098159
   0.87967499  0.68764363  0.28167804
   0.59392113  0.80966668  0.02565992
   0.87762013  0.94807289  0.34427296
   0.90944718  0.87146028  0.17202886
   0.65432946  0.82841458  0.22391489
   0.80026461  0.64431929  0.45538142
   0.56108793  0.56292031  0.38378208
   0.59125757  0.59995426  0.57392680
   0.87494335  0.72159835  0.78464140
   0.56742191  0.79671191  0.45159993
   0.86395167  0.95680518  0.85206898
   0.91135842  0.88957193  0.66131455
   0.67910719  0.90737687  0.73961767
   0.79649425  0.63745952  0.96551477
   0.55219593  0.60754309  0.90421079
   0.68636252  0.90375523  0.55641690
   0.59564175  0.88512423  0.41455243
   0.89414013  0.16676034  0.13218854
   0.77978623  0.42881246  0.31405055
   0.26769926  0.10277951  0.66334593
   0.26217857  0.73121583  0.75308698
   0.01057751  1.08607097  0.13047928
   0.20838982  1.00433164 -0.00494778
   0.62919655  0.34922954  0.85573048
   0.87335196  0.43913939  0.65810642
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891114    0.223065   -0.149899
    -0.000000    9.809037   -0.288464
    -0.000000    0.000000   13.886568
   Si   O    H 
    32    64    10
Direct configuration=   523
   0.16597190  0.14599631 -0.02525863
   0.39206974  0.07676406  0.38001557
   0.15029955  0.38795403  0.12697315
   0.39969588  0.32437007  0.25823042
   0.13271878  0.17169816  0.49211964
   0.40372272  0.12348949  0.86338716
   0.10961073  0.42986574  0.61153585
   0.35043902  0.38237684  0.75316666
   0.13560424  0.65493325  0.00915376
   0.39260811  0.57900355  0.36056906
   0.06483404  0.89260972  0.16174435
   0.33256150  0.82306261  0.24672596
   0.14907957  0.66130197  0.48654246
   0.38560562  0.60873727  0.88751638
   0.05516183  0.90816323  0.60765003
   0.32078173  0.97543701  0.69995274
   0.63752314  0.14909103  1.00966086
   0.88066332  0.11305686  0.38149490
   0.63056022  0.40778221  0.13279189
   0.89090033  0.28347763  0.19922848
   0.63918898  0.19254056  0.51631827
   0.89291848  0.12032661  0.87040944
   0.58602139  0.45145606  0.62204665
   0.75275419  0.34910634  0.79960860
   0.63583100  0.65149023 -0.00336325
   0.89859264  0.57954205  0.37377593
   0.57164916  0.89285879  0.12673511
   0.81727129  0.83389801  0.26418331
   0.63786856  0.64704734  0.46674251
   0.89561606  0.60981353  0.87398335
   0.60047311  0.96082630  0.63937292
   0.83625278  0.86939418  0.75606497
   0.10221467  0.05393097  0.15592416
   0.35251121  0.16908024  0.28438037
   0.12045245  0.27721710  0.03843669
   0.35280515  0.42102763  0.34794295
   0.54522744  0.34547245  0.22399878
   0.30236807  0.37613232  0.16638220
   0.28329988  0.10942877  0.45795778
   0.02875370  0.16817580  0.40323062
   0.06052227  0.07441846  0.57268923
   0.39950177  0.23002715  0.77265735
   0.15643983  0.32828281  0.52549541
   0.36413595  0.44760886  0.85750680
   0.44736376  0.45725177  0.68173712
   0.19310949  0.37383827  0.71015977
   0.31193314  0.19422222 -0.05389031
   0.05345916  0.15116321  0.88633161
   0.09667598  0.52979389  0.08674089
   0.37850226  0.66756342  0.26652181
   0.11629761  0.80014093  0.07301737
   0.39573908  0.92427500  0.33335188
   0.40642788  0.86435661  0.14487785
   0.17300239  0.84870642  0.24599418
   0.30712347  0.64887242  0.44966083
   0.05653800  0.57968446  0.41129388
   0.14103312  0.57786994  0.57870797
   0.35111327  0.67806558  0.77683520
   0.08029719  0.81036404  0.51478152
   0.34808228  0.97693582  0.81584668
   0.44909816  0.89729340  0.63557048
   0.18579721  0.87182645  0.68237211
   0.28563224  0.64477940 -0.02817967
   0.04410536  0.63269457  0.91236821
   0.61541631  0.04972760  0.10277297
   0.81905563  0.19048735  0.28784868
   0.59327429  0.30217418  0.04019456
   0.85040208  0.43152711  0.36128172
   0.04450138  0.34821251  0.21482394
   0.77968178  0.40478607  0.17065622
   0.79673322  0.13620658  0.48193676
   0.54407168  0.10354244  0.44208224
   0.61780875  0.12400014  0.62522053
   0.83234201  0.20725185  0.78575577
   0.59852223  0.34678845  0.52324429
   0.87090547  0.44401203  0.84946330
   0.94065628  0.42067847  0.60661831
   0.71527145  0.40938633  0.69166683
   0.80100884  0.16448427  0.96556010
   0.54917789  0.09377859  0.91336751
   0.60435884  0.56558169  0.09201327
   0.87659932  0.68650738  0.28289265
   0.59185853  0.80993680  0.02439549
   0.87914323  0.94903601  0.34515850
   0.90960631  0.87303158  0.17305590
   0.65670259  0.82738957  0.22407416
   0.80143676  0.64479004  0.45407253
   0.56130891  0.56251606  0.38404617
   0.59060090  0.59912435  0.57470520
   0.87444460  0.72193994  0.78624220
   0.56809135  0.79835011  0.45108635
   0.86384400  0.95848178  0.85283163
   0.90992351  0.88824199  0.66009047
   0.67952403  0.90726937  0.74108723
   0.79583030  0.63669300  0.96636643
   0.55182290  0.60876430  0.90540136
   0.67850922  0.90352415  0.55684673
   0.59301648  0.86894311  0.42134817
   0.89640592  0.17441336  0.12718569
   0.77638080  0.42872541  0.31576315
   0.27231996  0.10508702  0.66181787
   0.27048809  0.72567619  0.75204758
   0.01434825  1.09146219  0.12604908
   0.20203164  1.01179783 -0.00706224
   0.62245659  0.35033040  0.85654414
   0.87005195  0.43845266  0.66066913
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891693    0.220750   -0.148755
    -0.000000    9.807756   -0.288174
    -0.000000    0.000000   13.887626
   Si   O    H 
    32    64    10
Direct configuration=   524
   0.16536877  0.14501993 -0.02532618
   0.39280639  0.07684159  0.38046694
   0.14908803  0.38783691  0.12665491
   0.39964387  0.32451784  0.25841239
   0.13204682  0.17090775  0.49196193
   0.40287877  0.12339114  0.86334508
   0.10840178  0.42978374  0.61136877
   0.35063163  0.38363313  0.75314229
   0.13633710  0.65387531  0.00950156
   0.39226154  0.57932215  0.35982429
   0.06538134  0.89318929  0.16190185
   0.33363190  0.82407992  0.24661776
   0.14872657  0.66051755  0.48587195
   0.38481936  0.60732069  0.88597941
   0.05474960  0.90934423  0.60738504
   0.32002039  0.97592243  0.69965193
   0.63837642  0.15070649  1.00967661
   0.88018528  0.11316967  0.38111702
   0.63005456  0.40793797  0.13190201
   0.89202022  0.28338152  0.19902536
   0.64073519  0.19335865  0.51575813
   0.89331171  0.11954862  0.87010043
   0.58619741  0.45187114  0.62092490
   0.75284772  0.34945073  0.79897073
   0.63607047  0.65069259 -0.00381171
   0.90032385  0.58110073  0.37346937
   0.57132194  0.89381599  0.12749927
   0.81797865  0.83266447  0.26398892
   0.63824131  0.64731855  0.46732926
   0.89588200  0.60968864  0.87368893
   0.60104709  0.95982608  0.63943990
   0.83771060  0.87159386  0.75642799
   0.10181893  0.05345097  0.15571758
   0.35416718  0.16971166  0.28357038
   0.11960291  0.27559536  0.03839448
   0.35350993  0.42085208  0.34744822
   0.54734097  0.34527788  0.22419554
   0.30192255  0.37604650  0.16617437
   0.28426068  0.10661347  0.45846448
   0.02835170  0.17011288  0.40279826
   0.06193226  0.07204801  0.57218880
   0.39920232  0.22922961  0.77157085
   0.15668205  0.32944527  0.52670801
   0.36584596  0.44600920  0.85808279
   0.44818489  0.45708341  0.68201671
   0.19224139  0.37472907  0.71105490
   0.31332738  0.19381634 -0.05445238
   0.05272212  0.14944469  0.88719377
   0.09563989  0.53147998  0.08733285
   0.38028793  0.66730822  0.26634024
   0.11757854  0.80134264  0.07178143
   0.39464215  0.92527813  0.33358122
   0.40904525  0.86482574  0.14555698
   0.17307989  0.84866841  0.24657441
   0.30866973  0.64734716  0.44974539
   0.05738551  0.57940244  0.41154635
   0.14290124  0.57834153  0.57855149
   0.35076196  0.67805569  0.77625186
   0.08074784  0.81213480  0.51460757
   0.34640951  0.97763956  0.81525992
   0.44892053  0.89506270  0.63415936
   0.18691211  0.87205048  0.68232470
   0.28649583  0.64562120 -0.02834007
   0.04450206  0.63459028  0.91325719
   0.61512964  0.05144953  0.10309541
   0.81781077  0.18917875  0.28669924
   0.59499515  0.30157721  0.04020767
   0.84852486  0.43150799  0.36169953
   0.04321457  0.34959609  0.21615111
   0.78042124  0.40412195  0.17139531
   0.79648960  0.13565591  0.48262730
   0.54574747  0.10403015  0.44098330
   0.61857156  0.12463072  0.62562213
   0.83183936  0.20618111  0.78632979
   0.59696991  0.34673815  0.52319714
   0.87079034  0.44494784  0.84787041
   0.93971462  0.42111342  0.60767681
   0.71433112  0.40691003  0.69181668
   0.80240447  0.16476163  0.96562191
   0.54940840  0.09411175  0.91278655
   0.60448439  0.56517188  0.09317499
   0.87369348  0.68493059  0.28444665
   0.59019494  0.81072586  0.02295006
   0.87972458  0.95042957  0.34574608
   0.90935445  0.87435072  0.17366750
   0.65952479  0.82585255  0.22409786
   0.80248427  0.64517611  0.45327380
   0.56173822  0.56200080  0.38344652
   0.59049138  0.59876911  0.57547437
   0.87270256  0.72113439  0.78798635
   0.56846955  0.79797089  0.45085177
   0.86444192  0.95988030  0.85389001
   0.90903218  0.88766939  0.65889976
   0.67941371  0.90716967  0.74163253
   0.79520618  0.63597181  0.96731399
   0.55161142  0.61000249  0.90658224
   0.66972431  0.90402041  0.55716492
   0.60059681  0.87613759  0.41936705
   0.90118181  0.18053966  0.11936366
   0.77083097  0.42867145  0.31376641
   0.27743141  0.10607868  0.65968718
   0.27495995  0.71856531  0.75103328
   0.02550708  1.09736118  0.12342367
   0.19436616  1.00907741 -0.00730918
   0.61931800  0.34560477  0.85613493
   0.87396181  0.43990454  0.65470734
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892253    0.218344   -0.148293
    -0.000000    9.806710   -0.287143
    -0.000000    0.000000   13.888727
   Si   O    H 
    32    64    10
Direct configuration=   525
   0.16476193  0.14394568 -0.02527304
   0.39378787  0.07739811  0.38109998
   0.14752406  0.38758164  0.12606392
   0.39990200  0.32489777  0.25870102
   0.13160097  0.17089414  0.49255373
   0.40148642  0.12292819  0.86301644
   0.10748906  0.42958780  0.61112671
   0.35099045  0.38469384  0.75283812
   0.13695788  0.65289783  0.00956937
   0.39188865  0.57945753  0.35921805
   0.06629929  0.89359044  0.16185381
   0.33470826  0.82469287  0.24671874
   0.14852547  0.65968118  0.48509364
   0.38470228  0.60612151  0.88424350
   0.05458078  0.91101533  0.60677004
   0.31920667  0.97599627  0.69891190
   0.63897671  0.15238365  1.00927689
   0.87988385  0.11348747  0.38064612
   0.62933348  0.40820315  0.13142821
   0.89304952  0.28296428  0.19909389
   0.64278125  0.19370450  0.51506428
   0.89417478  0.11896866  0.87016040
   0.58598051  0.45293391  0.61965065
   0.75314513  0.35027943  0.79866103
   0.63720142  0.65008439 -0.00360330
   0.90228863  0.58261108  0.37300365
   0.57107077  0.89491042  0.12822750
   0.81871221  0.83181262  0.26422617
   0.63880347  0.64803152  0.46803633
   0.89609508  0.61015763  0.87354094
   0.60203776  0.95854019  0.63974531
   0.83846577  0.87392989  0.75683448
   0.10203147  0.05321625  0.15546153
   0.35682009  0.17070354  0.28269543
   0.11877590  0.27404114  0.03842289
   0.35496607  0.42043460  0.34729275
   0.54957315  0.34547349  0.22384743
   0.30206027  0.37596149  0.16600774
   0.28459322  0.10428289  0.45979771
   0.02786131  0.17124884  0.40213636
   0.06329530  0.07015396  0.57173291
   0.39996784  0.22787866  0.77122396
   0.15768302  0.32999164  0.52783786
   0.36733709  0.44469986  0.85871959
   0.44942587  0.45743618  0.68229652
   0.19153641  0.37682907  0.71180966
   0.31461873  0.19349145 -0.05507581
   0.05191264  0.14751791  0.88835319
   0.09530249  0.53309857  0.08829507
   0.38101881  0.66768895  0.26588634
   0.11851067  0.80192404  0.07127199
   0.39315950  0.92632622  0.33364470
   0.41061712  0.86524310  0.14577220
   0.17288301  0.84831344  0.24718157
   0.30986806  0.64586710  0.44953962
   0.05701042  0.57910014  0.41135706
   0.14505307  0.57888276  0.57900660
   0.35101394  0.67709943  0.77570818
   0.08046816  0.81417910  0.51405267
   0.34478031  0.97866269  0.81535925
   0.44853524  0.89391038  0.63243986
   0.18777331  0.87249207  0.68170380
   0.28739180  0.64580133 -0.02857463
   0.04486317  0.63523838  0.91413767
   0.61427475  0.05316978  0.10321923
   0.81754217  0.18879601  0.28619958
   0.59707053  0.30122710  0.04036213
   0.84669043  0.43125920  0.36105009
   0.04286397  0.35080740  0.21709413
   0.78094403  0.40402020  0.17159567
   0.79520614  0.13546828  0.48293495
   0.54710765  0.10450970  0.43937580
   0.61927620  0.12509801  0.62575144
   0.83097453  0.20511481  0.78643245
   0.59612375  0.34726492  0.52353466
   0.87086133  0.44661056  0.84631456
   0.93902106  0.42238905  0.60902007
   0.71323853  0.40455955  0.69219399
   0.80307659  0.16480582  0.96529262
   0.54913291  0.09516331  0.91277395
   0.60444887  0.56465162  0.09434278
   0.87162185  0.68302104  0.28545114
   0.58905956  0.81118529  0.02108729
   0.87987023  0.95100585  0.34633144
   0.90824018  0.87575146  0.17396546
   0.66173218  0.82394634  0.22321835
   0.80248885  0.64601039  0.45305406
   0.56230802  0.56126086  0.38323784
   0.59055536  0.59879685  0.57593356
   0.87117719  0.71954645  0.78966788
   0.56942905  0.79766308  0.45052840
   0.86573796  0.96161857  0.85440460
   0.90922383  0.88689225  0.65749774
   0.67872724  0.90736653  0.74176158
   0.79467215  0.63592130  0.96748658
   0.55037895  0.61114322  0.90758842
   0.66640451  0.90546694  0.55785184
   0.60913013  0.88551758  0.41742691
   0.90529270  0.18945668  0.11202816
   0.76879197  0.42880662  0.31597256
   0.28532177  0.10983605  0.65767023
   0.26643619  0.71918261  0.74606124
   0.03454434  1.10416433  0.11837428
   0.18664483  1.00038868 -0.00444725
   0.62472824  0.34063349  0.85342557
   0.87520079  0.44399798  0.64975672
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892324    0.216390   -0.147409
    -0.000000    9.806033   -0.285929
    -0.000000    0.000000   13.889494
   Si   O    H 
    32    64    10
Direct configuration=   526
   0.16396780  0.14224627 -0.02547121
   0.39494659  0.07831269  0.38197554
   0.14630208  0.38757769  0.12528409
   0.39977217  0.32496826  0.25895470
   0.13096702  0.17074531  0.49290981
   0.40044412  0.12264440  0.86297643
   0.10657563  0.42920755  0.61147729
   0.35077327  0.38569923  0.75189282
   0.13710641  0.65220883  0.00941452
   0.39212476  0.57922625  0.35921744
   0.06697203  0.89461843  0.16131153
   0.33618382  0.82560895  0.24678803
   0.14803300  0.65937707  0.48406120
   0.38479491  0.60486915  0.88283243
   0.05489788  0.91237549  0.60618023
   0.31793307  0.97565010  0.69810792
   0.63971933  0.15373990  1.00891252
   0.87926576  0.11372802  0.37988827
   0.62885455  0.40940252  0.13123477
   0.89359312  0.28273032  0.19889367
   0.64454053  0.19358398  0.51406146
   0.89501621  0.11857729  0.87045890
   0.58630460  0.45422853  0.61877110
   0.75387908  0.35088831  0.79865833
   0.63803884  0.65001017 -0.00321387
   0.90437286  0.58391776  0.37281978
   0.57070923  0.89579258  0.12882316
   0.81950558  0.83150619  0.26418347
   0.63966143  0.64897618  0.46881084
   0.89560876  0.61005823  0.87383648
   0.60312187  0.95734636  0.63995234
   0.83903834  0.87607316  0.75720065
   0.10312135  0.05249303  0.15480375
   0.35936654  0.17203522  0.28213939
   0.11808535  0.27251904  0.03918817
   0.35568936  0.42003229  0.34743898
   0.55151365  0.34551426  0.22351192
   0.30297053  0.37619938  0.16657943
   0.28455191  0.10201882  0.46106083
   0.02742791  0.17178807  0.40200118
   0.06483708  0.06856418  0.57114799
   0.40138471  0.22619733  0.77127103
   0.15797114  0.33020777  0.52840291
   0.36866380  0.44393111  0.85935147
   0.45055872  0.45839019  0.68249474
   0.19053338  0.37936467  0.71253637
   0.31584769  0.19361924 -0.05490271
   0.05139072  0.14521129  0.88937767
   0.09598464  0.53477391  0.08905701
   0.38137977  0.66732335  0.26553603
   0.12003019  0.80178943  0.07057806
   0.39225193  0.92593674  0.33381299
   0.41295864  0.86587519  0.14651373
   0.17244829  0.84733896  0.24734658
   0.31061296  0.64441136  0.44973774
   0.05703132  0.57790493  0.41087275
   0.14688703  0.57960152  0.57951187
   0.35129082  0.67556824  0.77535704
   0.08059769  0.81506695  0.51281704
   0.34277694  0.97955251  0.81570013
   0.44815433  0.89285330  0.63134281
   0.18816041  0.87286592  0.68160380
   0.28874215  0.64651551 -0.02822734
   0.04601351  0.63622015  0.91495087
   0.61327560  0.05421247  0.10320485
   0.81670407  0.18834110  0.28569932
   0.59782168  0.30154173  0.04073480
   0.84505275  0.43099062  0.36047794
   0.04262187  0.35130591  0.21774356
   0.78224667  0.40289454  0.17195824
   0.79440401  0.13536449  0.48312384
   0.54833642  0.10506497  0.43811205
   0.61965484  0.12535098  0.62570537
   0.83062100  0.20438013  0.78614618
   0.59481063  0.34775395  0.52424463
   0.87088937  0.44830220  0.84426944
   0.93985877  0.42331757  0.60928898
   0.71220751  0.40290229  0.69226770
   0.80305419  0.16445205  0.96508560
   0.54777959  0.09580690  0.91334696
   0.60474727  0.56396609  0.09558779
   0.87000052  0.68061454  0.28576103
   0.58861294  0.81202175  0.01965341
   0.87957971  0.95183448  0.34675980
   0.90674380  0.87685616  0.17424999
   0.66335994  0.82254972  0.22202843
   0.80174419  0.64671743  0.45257360
   0.56261794  0.56075591  0.38299916
   0.58944911  0.59948779  0.57612097
   0.87007366  0.71840594  0.79134509
   0.57019003  0.79785115  0.44997337
   0.86603000  0.96408601  0.85503977
   0.91044800  0.88620940  0.65634814
   0.67734049  0.90744812  0.74114099
   0.79420114  0.63578820  0.96755975
   0.54880381  0.61200220  0.90860704
   0.66762744  0.90637307  0.55464472
   0.61742341  0.88142032  0.42003380
   0.90883574  0.19376932  0.10895384
   0.76352880  0.43005143  0.31952554
   0.29361038  0.11463856  0.65440673
   0.26635531  0.71621270  0.74479620
   0.03622376  1.11142865  0.11452504
   0.18111900  0.99387442 -0.00199975
   0.63245057  0.33842047  0.85054346
   0.86329530  0.44894550  0.65624047
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892436    0.214055   -0.146272
    -0.000000    9.805395   -0.283939
    -0.000000    0.000000   13.890329
   Si   O    H 
    32    64    10
Direct configuration=   527
   0.16290337  0.14021323 -0.02618866
   0.39646389  0.07945377  0.38272262
   0.14613357  0.38722456  0.12502031
   0.39884610  0.32500158  0.25923885
   0.13015642  0.17095846  0.49341798
   0.40014657  0.12247641  0.86251656
   0.10495475  0.42880204  0.61218284
   0.35031356  0.38636370  0.75133013
   0.13686566  0.65194781  0.00906080
   0.39268773  0.57854202  0.35938904
   0.06755088  0.89531260  0.16078978
   0.33726175  0.82666088  0.24708742
   0.14795473  0.65938882  0.48301160
   0.38446981  0.60324075  0.88149393
   0.05531683  0.91296715  0.60603102
   0.31715003  0.97483670  0.69672556
   0.64047182  0.15461618  1.00845883
   0.87854493  0.11320723  0.37895579
   0.62839887  0.41049241  0.13135996
   0.89445051  0.28250253  0.19891604
   0.64621880  0.19354500  0.51308324
   0.89525733  0.11777529  0.87048507
   0.58626155  0.45468925  0.61812476
   0.75477417  0.35188137  0.79908593
   0.63874693  0.65034182 -0.00288091
   0.90569917  0.58475288  0.37270976
   0.57063608  0.89628983  0.12903682
   0.81985649  0.83169085  0.26395847
   0.64035774  0.65021641  0.46941816
   0.89513586  0.60978270  0.87411561
   0.60392841  0.95601300  0.64020627
   0.83894645  0.87807596  0.75737763
   0.10370710  0.05240103  0.15429081
   0.36108719  0.17270729  0.28211898
   0.11832005  0.27127076  0.04000838
   0.35656395  0.41988702  0.34787619
   0.55358302  0.34541223  0.22346899
   0.30352385  0.37666906  0.16670692
   0.28334861  0.09994392  0.46254832
   0.02712193  0.17159813  0.40194672
   0.06624211  0.06652499  0.57025295
   0.40296695  0.22469926  0.77138746
   0.15874286  0.32902790  0.52845433
   0.36958941  0.44251351  0.86019824
   0.45136555  0.45941385  0.68309301
   0.19041863  0.38157458  0.71304399
   0.31702270  0.19441927 -0.05493595
   0.05075096  0.14329975  0.88936828
   0.09667381  0.53625911  0.08996449
   0.38153303  0.66698493  0.26508843
   0.12061161  0.80162761  0.07003627
   0.39137753  0.92511958  0.33425302
   0.41501683  0.86607858  0.14769099
   0.17155832  0.84719146  0.24753736
   0.31051037  0.64275002  0.44921880
   0.05640359  0.57662485  0.40990656
   0.14860000  0.57985945  0.58011252
   0.35207071  0.67475838  0.77491537
   0.08041374  0.81434172  0.51111009
   0.34103797  0.97947793  0.81554731
   0.44773784  0.89258671  0.63139733
   0.18891796  0.87400062  0.68138252
   0.29038558  0.64689892 -0.02818876
   0.04612202  0.63664736  0.91569098
   0.61236975  0.05489399  0.10325235
   0.81665569  0.18776760  0.28435226
   0.59811500  0.30243489  0.04130289
   0.84357786  0.43063310  0.36010301
   0.04233737  0.35190973  0.21813799
   0.78437080  0.40157668  0.17243596
   0.79406498  0.13510828  0.48322649
   0.54909142  0.10547954  0.43647530
   0.62029510  0.12610067  0.62525084
   0.82962975  0.20343394  0.78556878
   0.59287341  0.34883091  0.52493546
   0.87122755  0.45115786  0.84224580
   0.94072516  0.42486609  0.61005851
   0.71084021  0.40100555  0.69195171
   0.80272329  0.16380745  0.96492955
   0.54693139  0.09602458  0.91373436
   0.60552370  0.56234112  0.09688509
   0.86859699  0.67806142  0.28575667
   0.58858508  0.81258618  0.01819826
   0.87919831  0.95185213  0.34645598
   0.90496647  0.87801959  0.17411546
   0.66518746  0.82141981  0.22115799
   0.80101216  0.64763322  0.45276492
   0.56240435  0.55946596  0.38297069
   0.58958587  0.60132098  0.57561760
   0.86892953  0.71605433  0.79301370
   0.57068979  0.79850080  0.44889696
   0.86609081  0.96551464  0.85585678
   0.91186492  0.88596156  0.65491850
   0.67606458  0.90687606  0.73982781
   0.79457686  0.63560667  0.96783613
   0.54677194  0.61301665  0.90892783
   0.67137313  0.90404110  0.55202527
   0.61968348  0.87010730  0.42747163
   0.91294505  0.19924080  0.11010931
   0.75791606  0.43008040  0.32308175
   0.30279544  0.11188725  0.65069351
   0.27201146  0.71120122  0.74924150
   0.03775656  1.11322377  0.11556434
   0.17794002  0.99340702 -0.00264930
   0.63894221  0.34045884  0.85039735
   0.86194479  0.45225452  0.65532771
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892542    0.212038   -0.145043
    -0.000000    9.804506   -0.281437
    -0.000000    0.000000   13.891151
   Si   O    H 
    32    64    10
Direct configuration=   528
   0.16207723  0.13789849 -0.02689398
   0.39793082  0.07992566  0.38293139
   0.14631754  0.38649075  0.12493396
   0.39758729  0.32491608  0.25913041
   0.13048626  0.17122472  0.49381819
   0.40035243  0.12238780  0.86212379
   0.10416745  0.42831577  0.61321206
   0.34982670  0.38669651  0.75087355
   0.13732773  0.65146272  0.00904388
   0.39312261  0.57766521  0.36007180
   0.06792668  0.89527674  0.15983685
   0.33811001  0.82775056  0.24656846
   0.14801029  0.65974227  0.48247170
   0.38474478  0.60151131  0.88009946
   0.05605301  0.91330704  0.60606647
   0.31641516  0.97387818  0.69529246
   0.64129480  0.15485021  1.00769211
   0.87816680  0.11199360  0.37840423
   0.62832289  0.41144662  0.13198446
   0.89439402  0.28281249  0.19920890
   0.64790881  0.19308754  0.51215954
   0.89443039  0.11689517  0.87044403
   0.58633287  0.45475948  0.61784445
   0.75575657  0.35275514  0.79926747
   0.63976419  0.65139146 -0.00223191
   0.90625281  0.58427766  0.37234323
   0.57123435  0.89661663  0.12895647
   0.82018682  0.83221186  0.26370395
   0.64029477  0.65117843  0.46989600
   0.89454068  0.60954245  0.87422591
   0.60462276  0.95508793  0.64003737
   0.83849195  0.87889637  0.75762275
   0.10489760  0.05267846  0.15359612
   0.36345187  0.17186243  0.28203514
   0.11855534  0.27045361  0.04028138
   0.35694882  0.41996019  0.34828344
   0.55501547  0.34554955  0.22321056
   0.30450732  0.37695756  0.16672638
   0.28305856  0.09836802  0.46404719
   0.02686501  0.17147688  0.40161648
   0.06750570  0.06489268  0.56950824
   0.40492610  0.22333599  0.77143922
   0.15916695  0.32739655  0.52854239
   0.36938198  0.44171919  0.86102864
   0.45138262  0.46086684  0.68309460
   0.19054085  0.38379104  0.71307921
   0.31775037  0.19472518 -0.05446959
   0.04989473  0.14201798  0.88929183
   0.09799327  0.53812158  0.09046869
   0.38217500  0.66704521  0.26440927
   0.12082952  0.80147436  0.06950186
   0.39095287  0.92411243  0.33398537
   0.41683154  0.86652729  0.14875367
   0.17174857  0.84691995  0.24735434
   0.30944616  0.64113480  0.44836427
   0.05636500  0.57470268  0.40879052
   0.14983595  0.58006384  0.58063474
   0.35400581  0.67315632  0.77489786
   0.07997142  0.81352880  0.50888401
   0.34016675  0.97916880  0.81525773
   0.44613768  0.89177140  0.63099106
   0.18904231  0.87563956  0.68135713
   0.29283683  0.64696250 -0.02812166
   0.04644123  0.63655480  0.91684111
   0.61152108  0.05613921  0.10300761
   0.81735334  0.18815040  0.28335196
   0.59825382  0.30427610  0.04214875
   0.84325853  0.43027414  0.35955502
   0.04188267  0.35208560  0.21904432
   0.78632321  0.40053467  0.17322191
   0.79381421  0.13487027  0.48299625
   0.54893597  0.10611316  0.43412137
   0.62097043  0.12701045  0.62462073
   0.82887043  0.20266682  0.78512921
   0.59200029  0.34982539  0.52557188
   0.87176854  0.45451716  0.84015292
   0.94133658  0.42604787  0.61135328
   0.70949728  0.39983930  0.69130810
   0.80175424  0.16348897  0.96564038
   0.54630104  0.09680307  0.91449051
   0.60558167  0.56144147  0.09786549
   0.86657770  0.67619689  0.28512793
   0.58832166  0.81327105  0.01683693
   0.87822443  0.95150123  0.34584576
   0.90407226  0.87906770  0.17335674
   0.66627915  0.82178032  0.22049420
   0.79967837  0.64870876  0.45285053
   0.56255033  0.55813569  0.38281194
   0.59014958  0.60405012  0.57486817
   0.86775433  0.71429057  0.79384727
   0.57058759  0.79829244  0.44813410
   0.86729989  0.96622081  0.85596846
   0.91369945  0.88589519  0.65355553
   0.67515325  0.90660466  0.73797969
   0.79561549  0.63548725  0.96779702
   0.54496237  0.61370878  0.90931389
   0.67603086  0.90229620  0.55045526
   0.62807410  0.86617577  0.43273208
   0.91466602  0.20365479  0.11182088
   0.75301675  0.42964611  0.32596770
   0.31109038  0.10361829  0.64785837
   0.26926937  0.71047809  0.75044055
   0.03960371  1.10897324  0.11935331
   0.18088985  0.99769860 -0.00391384
   0.64199864  0.34739826  0.85637484
   0.86797368  0.45242533  0.64975116
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892219    0.210093   -0.143642
    -0.000000    9.803553   -0.278949
    -0.000000    0.000000   13.891937
   Si   O    H 
    32    64    10
Direct configuration=   529
   0.16229322  0.13608593 -0.02730546
   0.39915473  0.08028445  0.38267461
   0.14566642  0.38515575  0.12454699
   0.39670248  0.32522113  0.25923319
   0.13093823  0.17108037  0.49386224
   0.40088303  0.12229865  0.86169712
   0.10322484  0.42783858  0.61457381
   0.34930058  0.38635484  0.75083961
   0.13803669  0.65087939  0.00951001
   0.39473317  0.57645365  0.36077441
   0.06883077  0.89540715  0.15901863
   0.33882920  0.82842251  0.24618399
   0.14851662  0.66047692  0.48225516
   0.38535260  0.59976329  0.87909435
   0.05727480  0.91358397  0.60548809
   0.31649391  0.97286459  0.69380368
   0.64247977  0.15481411  1.00724435
   0.87739432  0.11087409  0.37788011
   0.62830085  0.41210777  0.13277486
   0.89485103  0.28300371  0.19979769
   0.64857141  0.19250824  0.51141488
   0.89281938  0.11638627  0.87077909
   0.58614113  0.45485934  0.61795256
   0.75642821  0.35320147  0.79930118
   0.64004964  0.65216904 -0.00162737
   0.90666857  0.58370059  0.37200565
   0.57181235  0.89682790  0.12871494
   0.82112442  0.83313569  0.26396931
   0.64039123  0.65253184  0.47050811
   0.89344704  0.60882911  0.87456228
   0.60532377  0.95425059  0.63952383
   0.83809106  0.87971720  0.75787519
   0.10632487  0.05334288  0.15325338
   0.36657138  0.17040051  0.28252916
   0.11861178  0.26965773  0.04034177
   0.35680903  0.41985094  0.34855278
   0.55582489  0.34559903  0.22265895
   0.30585680  0.37677181  0.16720539
   0.28223108  0.09706303  0.46561653
   0.02685322  0.17159210  0.40167167
   0.06845754  0.06431397  0.56865478
   0.40560125  0.22235723  0.77132403
   0.16039387  0.32676651  0.52847126
   0.36876006  0.44072172  0.86207746
   0.45163152  0.46228249  0.68242359
   0.19028802  0.38546778  0.71252689
   0.31791710  0.19504285 -0.05415071
   0.04940941  0.14095290  0.88864439
   0.09925835  0.53998394  0.09139632
   0.38268169  0.66682934  0.26402743
   0.12034058  0.80178820  0.06867515
   0.38987723  0.92298194  0.33441325
   0.41856642  0.86732939  0.14964880
   0.17174791  0.84602812  0.24723237
   0.30868880  0.64062578  0.44739400
   0.05623036  0.57338989  0.40739904
   0.15038959  0.58016403  0.58129701
   0.35627983  0.67142684  0.77484004
   0.07968017  0.81302759  0.50644850
   0.33987432  0.97897991  0.81493086
   0.44424875  0.89115776  0.63109779
   0.18867834  0.87727969  0.68079998
   0.29473873  0.64735565 -0.02826297
   0.04746387  0.63622012  0.91691126
   0.61110510  0.05779050  0.10309459
   0.81902983  0.18921847  0.28235070
   0.59901131  0.30697866  0.04284825
   0.84320791  0.43038994  0.35893608
   0.04154004  0.35264763  0.22034779
   0.78807467  0.39961416  0.17395263
   0.79381781  0.13465056  0.48317312
   0.54914050  0.10616920  0.43243239
   0.62098153  0.12704354  0.62411969
   0.82771915  0.20155761  0.78408821
   0.59042854  0.35026937  0.52597810
   0.87226361  0.45795311  0.83846032
   0.94271096  0.42743431  0.61257523
   0.70825487  0.39930656  0.69053413
   0.79991550  0.16230640  0.96606232
   0.54531744  0.09707331  0.91487745
   0.60622923  0.56045075  0.09801426
   0.86514481  0.67448359  0.28463836
   0.58873615  0.81421109  0.01644735
   0.87731346  0.95045699  0.34555071
   0.90330303  0.88076307  0.17286469
   0.66757210  0.82340892  0.21992374
   0.79823488  0.64967271  0.45365095
   0.56218475  0.55710906  0.38231836
   0.59019940  0.60678539  0.57451369
   0.86660491  0.71423157  0.79382858
   0.56983445  0.79768394  0.44675967
   0.86781708  0.96638717  0.85576103
   0.91589029  0.88625387  0.65214149
   0.67476067  0.90674448  0.73624677
   0.79648379  0.63538494  0.96766311
   0.54319962  0.61364694  0.90961404
   0.68239985  0.90225208  0.55108448
   0.64094705  0.87376791  0.43400916
   0.91674211  0.20166053  0.11358403
   0.74984896  0.42968031  0.32751961
   0.31620432  0.09660270  0.64723282
   0.26526253  0.70957295  0.75111961
   0.03481863  1.10957582  0.11995694
   0.18349842  0.99916867 -0.00589565
   0.64035988  0.35781030  0.86554419
   0.86828645  0.44918125  0.64762537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891558    0.208871   -0.141817
    -0.000000    9.802564   -0.276993
    -0.000000    0.000000   13.892831
   Si   O    H 
    32    64    10
Direct configuration=   530
   0.16248960  0.13475482 -0.02740642
   0.40032750  0.08082302  0.38306411
   0.14449880  0.38462642  0.12414878
   0.39586912  0.32567298  0.25919160
   0.13150788  0.17082923  0.49368228
   0.40173204  0.12227984  0.86093632
   0.10226737  0.42819864  0.61547891
   0.34887014  0.38563815  0.75091695
   0.13916390  0.65065021  0.01019174
   0.39677807  0.57509211  0.36145348
   0.06965822  0.89562760  0.15842134
   0.33860613  0.82834806  0.24571476
   0.14884131  0.66153800  0.48193464
   0.38605179  0.59830303  0.87865817
   0.05889654  0.91328838  0.60480587
   0.31723960  0.97160542  0.69244558
   0.64337310  0.15414680  1.00655065
   0.87645638  0.11015675  0.37741723
   0.62869470  0.41257648  0.13325416
   0.89508198  0.28320837  0.20046710
   0.64853278  0.19140993  0.51117813
   0.89121288  0.11654395  0.87145707
   0.58574874  0.45474437  0.61832615
   0.75676568  0.35341514  0.79913268
   0.64020751  0.65307372 -0.00132327
   0.90651315  0.58303781  0.37225809
   0.57302542  0.89656387  0.12805707
   0.82171204  0.83419036  0.26443864
   0.64023151  0.65402522  0.47074287
   0.89283668  0.60835283  0.87507540
   0.60564739  0.95355394  0.63859534
   0.83782442  0.87962760  0.75810271
   0.10662680  0.05493005  0.15338589
   0.36921202  0.16869784  0.28338135
   0.11838594  0.26852005  0.04059895
   0.35655512  0.42028853  0.34903428
   0.55723071  0.34577969  0.22253017
   0.30611724  0.37588354  0.16725612
   0.28123177  0.09677982  0.46620058
   0.02703229  0.17060797  0.40191944
   0.06932206  0.06441427  0.56820450
   0.40628042  0.22208372  0.77178121
   0.16121072  0.32602547  0.52869020
   0.36701023  0.43991584  0.86277352
   0.45213237  0.46267262  0.68176989
   0.18946939  0.38742813  0.71238532
   0.31791334  0.19527096 -0.05345083
   0.04883343  0.14077733  0.88780905
   0.10099050  0.54201203  0.09207647
   0.38338172  0.66650938  0.26402455
   0.11999427  0.80113366  0.06750846
   0.38911883  0.92317200  0.33465515
   0.42059105  0.86771849  0.15060688
   0.17166169  0.84636460  0.24700569
   0.30709835  0.64107467  0.44712840
   0.05715591  0.57274972  0.40584856
   0.15080495  0.57975355  0.58183703
   0.35705125  0.66941023  0.77480393
   0.07980855  0.81276257  0.50354377
   0.33992828  0.97890024  0.81449497
   0.44289959  0.89120397  0.63147873
   0.18772520  0.87962084  0.68076944
   0.29628741  0.64722144 -0.02810387
   0.04786282  0.63592907  0.91685699
   0.61114306  0.05940754  0.10279273
   0.82067432  0.19040861  0.28146339
   0.59983885  0.30963843  0.04320518
   0.84323718  0.43049154  0.35819204
   0.04164323  0.35362799  0.22113723
   0.78881163  0.39913870  0.17427410
   0.79467700  0.13444421  0.48234285
   0.55023703  0.10649023  0.43113742
   0.62057500  0.12576984  0.62368770
   0.82718819  0.20079173  0.78232116
   0.58879840  0.35023382  0.52631081
   0.87319634  0.46010263  0.83683314
   0.94401175  0.42916048  0.61338619
   0.70775138  0.39903024  0.68972802
   0.79796561  0.16109699  0.96655450
   0.54481435  0.09766921  0.91532912
   0.60645047  0.55981444  0.09826920
   0.86419245  0.67301551  0.28405246
   0.58950974  0.81514154  0.01646870
   0.87670721  0.94848411  0.34512190
   0.90203157  0.88288932  0.17215267
   0.66845929  0.82563448  0.21990165
   0.79816492  0.65031096  0.45427458
   0.56185852  0.55620826  0.38202212
   0.59084909  0.61041774  0.57413409
   0.86494651  0.71464485  0.79347675
   0.56940979  0.79752867  0.44528623
   0.86798211  0.96455346  0.85523717
   0.91768427  0.88644092  0.65051875
   0.67454627  0.90682887  0.73529746
   0.79775599  0.63590317  0.96764933
   0.54161425  0.61373687  0.91001066
   0.68552097  0.90312121  0.55544511
   0.64358749  0.86833777  0.43539892
   0.91562359  0.20031463  0.11388053
   0.75259169  0.42446045  0.33181172
   0.32087711  0.09744821  0.64609251
   0.27295911  0.70686172  0.75374508
   0.03332480  1.10759727  0.12301700
   0.18636245  0.99302119 -0.00770492
   0.63970969  0.36533037  0.87519745
   0.85704633  0.44917406  0.65247238
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890927    0.207463   -0.140028
    -0.000000    9.802116   -0.275336
    -0.000000    0.000000   13.893344
   Si   O    H 
    32    64    10
Direct configuration=   531
   0.16291758  0.13384058 -0.02775051
   0.40139944  0.08091661  0.38365137
   0.14320517  0.38374465  0.12380127
   0.39528808  0.32679813  0.25909882
   0.13262121  0.17071406  0.49328527
   0.40275732  0.12209327  0.86031490
   0.10160587  0.42842651  0.61630520
   0.34911830  0.38448058  0.75116378
   0.14056976  0.65038202  0.01124983
   0.39905640  0.57358771  0.36230585
   0.07049616  0.89554638  0.15776786
   0.33875631  0.82759168  0.24556299
   0.14947708  0.66235991  0.48158785
   0.38663548  0.59741198  0.87844482
   0.06040833  0.91235098  0.60402165
   0.31804660  0.97030247  0.69120440
   0.64409782  0.15313996  1.00574775
   0.87614254  0.10953507  0.37718954
   0.62926675  0.41267694  0.13387752
   0.89508399  0.28296454  0.20096927
   0.64807998  0.19071995  0.51129620
   0.89049392  0.11717060  0.87224274
   0.58520508  0.45510595  0.61890156
   0.75679178  0.35403569  0.79906506
   0.64022591  0.65344589 -0.00089407
   0.90593773  0.58248745  0.37255938
   0.57455320  0.89636962  0.12751868
   0.82233113  0.83508743  0.26470005
   0.64020408  0.65518581  0.47070667
   0.89348323  0.60863431  0.87583928
   0.60562902  0.95295502  0.63754236
   0.83693917  0.87925011  0.75814509
   0.10682805  0.05628738  0.15353129
   0.37150820  0.16681030  0.28455865
   0.11696633  0.26767956  0.04085930
   0.35620624  0.42053299  0.34952606
   0.55674003  0.34549938  0.22283568
   0.30607502  0.37510921  0.16772958
   0.28004007  0.09651742  0.46688433
   0.02625169  0.16908484  0.40175824
   0.07023889  0.06405188  0.56812730
   0.40678452  0.22229369  0.77198900
   0.16117481  0.32458762  0.52960438
   0.36538142  0.43846189  0.86336001
   0.45241099  0.46323353  0.68067187
   0.18848356  0.39027646  0.71254340
   0.31764968  0.19491257 -0.05301733
   0.04778588  0.13990381  0.88638398
   0.10254212  0.54383441  0.09272790
   0.38415991  0.66650547  0.26352507
   0.11962368  0.80083072  0.06567687
   0.38930863  0.92362775  0.33478814
   0.42164774  0.86836342  0.15113653
   0.17159333  0.84559855  0.24651572
   0.30575655  0.64194670  0.44730704
   0.05773611  0.57248406  0.40451513
   0.15214981  0.57910202  0.58202889
   0.35766520  0.66759558  0.77511015
   0.07956908  0.81261903  0.50163265
   0.34078147  0.97901707  0.81416468
   0.44164101  0.89129144  0.63229066
   0.18701771  0.88163807  0.68014815
   0.29757609  0.64712554 -0.02851937
   0.04814833  0.63556474  0.91656207
   0.61151598  0.06106127  0.10274676
   0.82208841  0.19163747  0.28098580
   0.60013605  0.31151219  0.04312286
   0.84373443  0.43059478  0.35733874
   0.04117512  0.35509005  0.22178978
   0.78899843  0.39913768  0.17329757
   0.79605973  0.13541270  0.48107037
   0.55147363  0.10641712  0.42993058
   0.62040651  0.12476616  0.62297120
   0.82654043  0.20048759  0.78105474
   0.58760026  0.35007360  0.52699761
   0.87390142  0.46198948  0.83533130
   0.94492754  0.43051089  0.61415441
   0.70645577  0.39798156  0.68842542
   0.79568068  0.15991745  0.96706584
   0.54529511  0.09830571  0.91596361
   0.60637701  0.56069756  0.09801735
   0.86316314  0.67200409  0.28302247
   0.59053787  0.81542790  0.01649793
   0.87587168  0.94587283  0.34496327
   0.90179253  0.88470076  0.17129323
   0.66897124  0.82729295  0.21960481
   0.79828169  0.65060839  0.45524734
   0.56159743  0.55565124  0.38201045
   0.59210281  0.61356705  0.57367331
   0.86239068  0.71495248  0.79274660
   0.56920220  0.79820459  0.44357290
   0.86756547  0.96141023  0.85502265
   0.91866918  0.88660395  0.64972430
   0.67490726  0.90682985  0.73440093
   0.79808856  0.63622697  0.96751493
   0.53958910  0.61337894  0.91013460
   0.69014437  0.90086079  0.56086339
   0.63417661  0.85562561  0.43656697
   0.91221196  0.19752641  0.11476409
   0.75358336  0.42084911  0.33466209
   0.32194208  0.10462380  0.64487047
   0.27820050  0.70621507  0.75492804
   0.02788686  1.10692514  0.12748217
   0.18942567  0.98777650 -0.00609601
   0.64313190  0.37104460  0.88139126
   0.85329833  0.44096420  0.65010418
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890466    0.205881   -0.138511
    -0.000000    9.801764   -0.273270
    -0.000000    0.000000   13.893507
   Si   O    H 
    32    64    10
Direct configuration=   532
   0.16383351  0.13302529 -0.02779054
   0.40215016  0.08062034  0.38408619
   0.14240986  0.38251454  0.12386112
   0.39513842  0.32789654  0.25904240
   0.13372212  0.17065259  0.49255466
   0.40420746  0.12159637  0.85955021
   0.10126866  0.42867842  0.61653920
   0.34907055  0.38281999  0.75159170
   0.14251737  0.65015129  0.01203622
   0.40098934  0.57246270  0.36272341
   0.07142836  0.89563120  0.15718789
   0.33851187  0.82692659  0.24558929
   0.15032697  0.66309788  0.48175548
   0.38704705  0.59654417  0.87814857
   0.06236278  0.91172455  0.60336465
   0.31941690  0.96991977  0.69026375
   0.64428406  0.15242325  1.00518936
   0.87632771  0.10931968  0.37661799
   0.63029618  0.41225663  0.13411636
   0.89522466  0.28250226  0.20183090
   0.64736174  0.18966656  0.51180712
   0.88949027  0.11824518  0.87313423
   0.58429702  0.45582017  0.61990422
   0.75638425  0.35478671  0.79894094
   0.63984425  0.65341371 -0.00035135
   0.90500330  0.58227356  0.37282155
   0.57583468  0.89669413  0.12697142
   0.82311638  0.83556970  0.26519840
   0.64011199  0.65580813  0.47027232
   0.89449089  0.60882700  0.87669459
   0.60521380  0.95224938  0.63661839
   0.83524769  0.87869579  0.75781952
   0.10737328  0.05629302  0.15335652
   0.37345127  0.16502520  0.28614807
   0.11553235  0.26706191  0.04164459
   0.35524728  0.42022165  0.34952447
   0.55569912  0.34502519  0.22363339
   0.30547983  0.37388113  0.16845287
   0.27981129  0.09668816  0.46725810
   0.02606878  0.16731784  0.40151489
   0.07151871  0.06415678  0.56814378
   0.40698718  0.22318209  0.77172119
   0.16125378  0.32232243  0.53055635
   0.36450180  0.43687403  0.86379235
   0.45226719  0.46273765  0.67933704
   0.18880113  0.39288642  0.71330635
   0.31756055  0.19384381 -0.05283156
   0.04733216  0.13927841  0.88526950
   0.10396270  0.54494526  0.09411458
   0.38488324  0.66637321  0.26303243
   0.11963392  0.80058495  0.06385598
   0.38992003  0.92403333  0.33517703
   0.42271721  0.86981455  0.15182023
   0.17187535  0.84526273  0.24597742
   0.30531425  0.64348632  0.44654004
   0.05928147  0.57256923  0.40355096
   0.15294530  0.57804260  0.58263302
   0.35876547  0.66526482  0.77546417
   0.07957543  0.81286073  0.50047992
   0.34100871  0.97895661  0.81356511
   0.44126238  0.89172395  0.63339005
   0.18587717  0.88336834  0.67933307
   0.29761548  0.64714931 -0.02873144
   0.04752854  0.63551047  0.91616250
   0.61228154  0.06187959  0.10233309
   0.82327290  0.19314041  0.28103370
   0.60026117  0.31340916  0.04342645
   0.84395504  0.43055929  0.35609181
   0.04135369  0.35627298  0.22204215
   0.78895017  0.39854359  0.17176143
   0.79725687  0.13605786  0.48002602
   0.55268521  0.10640082  0.42915149
   0.61954719  0.12418011  0.62219065
   0.82498131  0.20019728  0.78094466
   0.58597202  0.34987693  0.52761816
   0.87421995  0.46329107  0.83389884
   0.94449353  0.43156939  0.61534921
   0.70658569  0.39692731  0.68776057
   0.79338277  0.15828386  0.96751225
   0.54589410  0.09835266  0.91684048
   0.60653756  0.56241922  0.09738150
   0.86238555  0.67181398  0.28164370
   0.59249367  0.81526427  0.01627317
   0.87475103  0.94385932  0.34480123
   0.90202355  0.88584604  0.17003676
   0.66846205  0.82904250  0.21875110
   0.79826990  0.65061540  0.45581959
   0.56147053  0.55608674  0.38258252
   0.59227069  0.61600195  0.57371927
   0.85991559  0.71577534  0.79174165
   0.56812080  0.79837412  0.44185963
   0.86698055  0.95810321  0.85498042
   0.91937882  0.88651676  0.64941959
   0.67579148  0.90676207  0.73439705
   0.79717146  0.63651181  0.96722813
   0.53792670  0.61322548  0.90985123
   0.69331801  0.89737625  0.56306570
   0.64132319  0.86419930  0.43537547
   0.90802505  0.19025294  0.11646853
   0.75086200  0.41782237  0.33692741
   0.32243568  0.11019073  0.64278735
   0.27555822  0.71301777  0.75226094
   0.02225841  1.10704097  0.13152023
   0.19154770  0.98573563 -0.00449302
   0.65198876  0.37370302  0.88088165
   0.85465428  0.43111233  0.64530254
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889927    0.203986   -0.136465
    -0.000000    9.801493   -0.270912
    -0.000000    0.000000   13.894138
   Si   O    H 
    32    64    10
Direct configuration=   533
   0.16479500  0.13239374 -0.02788567
   0.40218528  0.07985620  0.38422667
   0.14114874  0.38154533  0.12371843
   0.39476923  0.32866279  0.25876084
   0.13465598  0.17014325  0.49206507
   0.40594215  0.12168870  0.85909682
   0.10050249  0.42952786  0.61694037
   0.34856185  0.38063464  0.75273895
   0.14422795  0.65072539  0.01282187
   0.40236431  0.57190197  0.36278076
   0.07162917  0.89511836  0.15678135
   0.33849556  0.82645662  0.24608816
   0.15100935  0.66352171  0.48181146
   0.38681039  0.59590804  0.87860603
   0.06364874  0.91058140  0.60289325
   0.32080519  0.97031954  0.69000227
   0.64427536  0.15227465  1.00454874
   0.87654855  0.10950160  0.37569069
   0.63207963  0.41190647  0.13430694
   0.89495659  0.28154621  0.20273242
   0.64690194  0.18836420  0.51264384
   0.88907179  0.11886191  0.87357031
   0.58371174  0.45740710  0.62072401
   0.75605258  0.35542172  0.79868059
   0.63927332  0.65402712 -0.00005519
   0.90397648  0.58226034  0.37356127
   0.57738249  0.89695447  0.12584237
   0.82409662  0.83576879  0.26516495
   0.63989843  0.65634247  0.46924153
   0.89493310  0.60904802  0.87762033
   0.60427863  0.95195683  0.63584239
   0.83402863  0.87719922  0.75779542
   0.10726424  0.05694068  0.15311032
   0.37567451  0.16421488  0.28805961
   0.11365923  0.26710059  0.04234836
   0.35308430  0.41929728  0.34926483
   0.55403310  0.34443135  0.22433708
   0.30413144  0.37274878  0.16922314
   0.28020255  0.09659933  0.46751326
   0.02629817  0.16545391  0.40108051
   0.07260427  0.06447528  0.56765341
   0.40649192  0.22411931  0.77112435
   0.16125263  0.32045375  0.53130824
   0.36408261  0.43522068  0.86370875
   0.45134272  0.46315400  0.67856117
   0.18856046  0.39636376  0.71460153
   0.31714115  0.19247331 -0.05218802
   0.04684691  0.13839241  0.88446143
   0.10448709  0.54514605  0.09514505
   0.38497098  0.66508199  0.26253133
   0.11926022  0.80082833  0.06222674
   0.39052573  0.92413937  0.33628754
   0.42309328  0.87015288  0.15224859
   0.17262427  0.84483451  0.24603185
   0.30467816  0.64515081  0.44587793
   0.06039492  0.57237406  0.40271499
   0.15459745  0.57764274  0.58318248
   0.35955283  0.66324231  0.77561831
   0.07881526  0.81337614  0.49936441
   0.34120710  0.97944111  0.81224365
   0.44139552  0.89227342  0.63407427
   0.18390504  0.88430064  0.67885993
   0.29793481  0.64651421 -0.02896993
   0.04754689  0.63436539  0.91564232
   0.61317142  0.06200499  0.10215237
   0.82430385  0.19367463  0.28132453
   0.60077238  0.31491087  0.04342507
   0.84447453  0.43075104  0.35552083
   0.04189555  0.35822773  0.22228363
   0.78860290  0.39876444  0.17081122
   0.79770967  0.13654313  0.47877990
   0.55454803  0.10717001  0.42851834
   0.61867190  0.12301888  0.62185490
   0.82302398  0.20022700  0.78158502
   0.58447050  0.34925328  0.52823693
   0.87421813  0.46350022  0.83162356
   0.94321548  0.43210868  0.61547266
   0.70756584  0.39574921  0.68679666
   0.79159619  0.15649159  0.96740477
   0.54640096  0.09808451  0.91805228
   0.60651240  0.56462847  0.09688739
   0.86208134  0.67188642  0.28023292
   0.59430022  0.81596735  0.01690492
   0.87362565  0.94289290  0.34551905
   0.90208918  0.88657019  0.16972424
   0.66783698  0.83065794  0.21734969
   0.79881338  0.65112237  0.45608413
   0.56178745  0.55635691  0.38362972
   0.59246360  0.61793890  0.57468591
   0.85783214  0.71695092  0.79026109
   0.56707270  0.79918789  0.44084037
   0.86620863  0.95600170  0.85511326
   0.92015044  0.88631192  0.64913176
   0.67606864  0.90588726  0.73449984
   0.79569036  0.63638499  0.96714130
   0.53730471  0.61333651  0.91004831
   0.69849523  0.89007091  0.56535351
   0.64420824  0.87358557  0.43420998
   0.90343946  0.18509595  0.11826918
   0.74558674  0.41732966  0.33515952
   0.31725086  0.11179132  0.64047120
   0.27643649  0.71708721  0.75306588
   0.01929293  1.10460359  0.13635784
   0.19614340  0.98786431 -0.00500412
   0.66258378  0.37314419  0.87779983
   0.85601442  0.41988851  0.64057156
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889289    0.202261   -0.134156
    -0.000000    9.800862   -0.267910
    -0.000000    0.000000   13.894648
   Si   O    H 
    32    64    10
Direct configuration=   534
   0.16616734  0.13186122 -0.02831524
   0.40181532  0.07858973  0.38439865
   0.14071940  0.38192685  0.12400712
   0.39436560  0.32822284  0.25853241
   0.13524185  0.16956648  0.49167363
   0.40709850  0.12163658  0.85872830
   0.09988343  0.43032614  0.61757711
   0.34794292  0.37941717  0.75381960
   0.14589907  0.65151152  0.01367918
   0.40285295  0.57170485  0.36271641
   0.07153218  0.89422556  0.15662934
   0.33862253  0.82587184  0.24692409
   0.15132899  0.66404106  0.48138103
   0.38668605  0.59528299  0.87926650
   0.06481184  0.90897813  0.60249787
   0.32216288  0.97103920  0.69035911
   0.64371912  0.15247797  1.00419475
   0.87638762  0.10991565  0.37499140
   0.63385794  0.41190635  0.13445392
   0.89448914  0.28106722  0.20325177
   0.64662447  0.18745888  0.51379883
   0.88844092  0.11866315  0.87362800
   0.58298781  0.45895997  0.62152801
   0.75603518  0.35600703  0.79830863
   0.63806216  0.65527670  0.00009507
   0.90281925  0.58166923  0.37442539
   0.57880754  0.89836048  0.12479244
   0.82519790  0.83549498  0.26512706
   0.63949793  0.65635712  0.46819936
   0.89559892  0.60953008  0.87801645
   0.60328682  0.95203920  0.63507410
   0.83377269  0.87511212  0.75767655
   0.10637434  0.05697643  0.15260943
   0.37760344  0.16501872  0.28961765
   0.11170305  0.26670271  0.04270088
   0.35083647  0.41837062  0.34943985
   0.55174877  0.34428663  0.22430737
   0.30154985  0.37184538  0.16886735
   0.28069587  0.09585749  0.46757858
   0.02643711  0.16391714  0.40069539
   0.07354124  0.06523976  0.56731903
   0.40594234  0.22540594  0.76944834
   0.16106909  0.31960161  0.53221565
   0.36294754  0.43336362  0.86294508
   0.44961876  0.46269483  0.67727237
   0.18979981  0.39933427  0.71560833
   0.31550532  0.19046015 -0.05164115
   0.04623837  0.13741570  0.88363224
   0.10487134  0.54452845  0.09657153
   0.38490733  0.66346126  0.26228357
   0.11862844  0.80105520  0.06042348
   0.39106066  0.92402859  0.33735552
   0.42323956  0.86971498  0.15282750
   0.17381410  0.84433231  0.24558430
   0.30460074  0.64693198  0.44464408
   0.06100803  0.57341015  0.40279052
   0.15637944  0.57756979  0.58302521
   0.36081801  0.66141561  0.77573081
   0.07826419  0.81430879  0.49823629
   0.34183272  0.98032001  0.81133861
   0.44191771  0.89221472  0.63479152
   0.18112223  0.88458879  0.67903750
   0.29805815  0.64571351 -0.02951820
   0.04744578  0.63282961  0.91549121
   0.61393165  0.06231557  0.10179870
   0.82503758  0.19368531  0.28112826
   0.60150650  0.31537387  0.04321292
   0.84470095  0.42995204  0.35488864
   0.04203276  0.35971943  0.22240916
   0.78810899  0.39868011  0.16967087
   0.79880013  0.13757324  0.47742551
   0.55624896  0.10756445  0.42795437
   0.61842655  0.12158754  0.62098045
   0.82054991  0.20013757  0.78214224
   0.58349392  0.34864210  0.52871805
   0.87471419  0.46256901  0.82952753
   0.94264556  0.43212573  0.61585389
   0.70929796  0.39407932  0.68601668
   0.79085913  0.15554140  0.96761051
   0.54668222  0.09813019  0.91867969
   0.60549115  0.56761674  0.09635655
   0.86213156  0.67209463  0.27926579
   0.59610385  0.81689108  0.01762211
   0.87261133  0.94255135  0.34670066
   0.90301637  0.88683817  0.16948532
   0.66697125  0.83223704  0.21601906
   0.79994724  0.65182652  0.45626085
   0.56275251  0.55670024  0.38523695
   0.59217596  0.61943633  0.57536862
   0.85543287  0.71759675  0.78936871
   0.56730808  0.80094172  0.43950956
   0.86512885  0.95486566  0.85545288
   0.91969087  0.88645922  0.64864701
   0.67673602  0.90539179  0.73473575
   0.79381645  0.63610432  0.96745573
   0.53791127  0.61436822  0.91005501
   0.70239609  0.88561527  0.56810961
   0.63696028  0.86998729  0.43413531
   0.89970278  0.17885718  0.11945829
   0.74813728  0.42077074  0.33404792
   0.30779578  0.10557390  0.64104446
   0.28458067  0.71487130  0.75695087
   0.01738031  1.10154175  0.14020232
   0.20189704  0.99133131 -0.00697935
   0.67465379  0.37492050  0.87539135
   0.85229337  0.40808198  0.63836235
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888449    0.200976   -0.131699
    -0.000000    9.800190   -0.264687
    -0.000000    0.000000   13.894947
   Si   O    H 
    32    64    10
Direct configuration=   535
   0.16722558  0.13211421 -0.02911778
   0.40118749  0.07703288  0.38457879
   0.14040770  0.38272156  0.12432053
   0.39407992  0.32777729  0.25814228
   0.13559572  0.16808315  0.49154543
   0.40873056  0.12106979  0.85845146
   0.09904960  0.43069117  0.61794770
   0.34759844  0.37867500  0.75434667
   0.14723102  0.65194688  0.01485741
   0.40319947  0.57215515  0.36255220
   0.07109670  0.89405821  0.15634098
   0.33838078  0.82580459  0.24783512
   0.15153255  0.66402371  0.48154930
   0.38695030  0.59506461  0.88019710
   0.06581359  0.90813254  0.60235221
   0.32384384  0.97166345  0.69069888
   0.64221473  0.15320611  1.00432245
   0.87628562  0.11050194  0.37396332
   0.63598754  0.41202497  0.13470180
   0.89440726  0.28085176  0.20315034
   0.64603293  0.18657665  0.51482860
   0.88765174  0.11792543  0.87397086
   0.58289366  0.46008418  0.62190544
   0.75623478  0.35639253  0.79763282
   0.63646967  0.65624945  0.00021152
   0.90136029  0.58121124  0.37528995
   0.57987160  0.89908714  0.12355946
   0.82581507  0.83556948  0.26459727
   0.63939382  0.65582223  0.46740469
   0.89616126  0.61055294  0.87793359
   0.60281959  0.95246811  0.63448026
   0.83324351  0.87349718  0.75771732
   0.10546860  0.05636499  0.15195084
   0.38011420  0.16604730  0.29056243
   0.11010308  0.26547554  0.04262651
   0.34859768  0.41704697  0.34944002
   0.54927784  0.34479962  0.22400351
   0.29896168  0.37192672  0.16866024
   0.28151738  0.09433778  0.46708277
   0.02697081  0.16209268  0.40026899
   0.07550066  0.06563620  0.56744449
   0.40516456  0.22699870  0.76818557
   0.16118790  0.32014164  0.53346539
   0.36204240  0.43230206  0.86290033
   0.44775110  0.46242909  0.67656625
   0.19083833  0.40151997  0.71617667
   0.31383675  0.18850139 -0.05217547
   0.04575036  0.13658315  0.88287684
   0.10464398  0.54458155  0.09778792
   0.38439434  0.66219345  0.26304292
   0.11850839  0.80201732  0.05893928
   0.39159864  0.92408530  0.33801093
   0.42329928  0.87001286  0.15345807
   0.17468279  0.84372226  0.24522457
   0.30491505  0.64903550  0.44359817
   0.06142656  0.57404514  0.40271672
   0.15843743  0.57730257  0.58254423
   0.36245756  0.66055156  0.77564102
   0.07866897  0.81516981  0.49739587
   0.34225246  0.98154832  0.81028517
   0.44281446  0.89188882  0.63537470
   0.17917049  0.88556632  0.67963840
   0.29850604  0.64478330 -0.02969677
   0.04754651  0.63152122  0.91552843
   0.61406347  0.06272445  0.10162327
   0.82577099  0.19236869  0.28128464
   0.60203002  0.31567729  0.04299544
   0.84478317  0.42894886  0.35430864
   0.04258532  0.36028994  0.22204330
   0.78652452  0.39900631  0.16833559
   0.79993506  0.13832026  0.47653143
   0.55845328  0.10791246  0.42725002
   0.61863503  0.11957911  0.61971939
   0.81785639  0.20067593  0.78318006
   0.58315751  0.34810705  0.52927194
   0.87508233  0.46120361  0.82734988
   0.94175865  0.43230681  0.61607580
   0.71107799  0.39187712  0.68531641
   0.79041684  0.15387008  0.96783352
   0.54603889  0.09772777  0.91927176
   0.60456843  0.56985559  0.09589485
   0.86228776  0.67192429  0.27877899
   0.59783293  0.81867861  0.01914952
   0.87156787  0.94281940  0.34783393
   0.90413017  0.88731183  0.16970003
   0.66669708  0.83439644  0.21509445
   0.80175833  0.65254949  0.45696360
   0.56360691  0.55763867  0.38705765
   0.59254662  0.62057857  0.57606985
   0.85329937  0.71782198  0.78842982
   0.56744109  0.80231160  0.43838039
   0.86385923  0.95438014  0.85597185
   0.91888697  0.88615725  0.64906920
   0.67812928  0.90442665  0.73519570
   0.79237979  0.63596859  0.96786277
   0.53919965  0.61488891  0.91018587
   0.70307260  0.88436326  0.57137322
   0.62663762  0.86836095  0.43578301
   0.89539805  0.17529199  0.12063403
   0.75610952  0.42404806  0.33516094
   0.29826951  0.09791111  0.64232224
   0.28488520  0.71132881  0.75871306
   0.01499714  1.09824870  0.14287854
   0.20425845  0.99364659 -0.00795456
   0.68065410  0.37871502  0.87554426
   0.84680455  0.39995806  0.63560347
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887725    0.199322   -0.128891
    -0.000000    9.799281   -0.261636
    -0.000000    0.000000   13.895229
   Si   O    H 
    32    64    10
Direct configuration=   536
   0.16807996  0.13308616 -0.02980800
   0.40060636  0.07529042  0.38476646
   0.14023514  0.38338108  0.12461220
   0.39336147  0.32677288  0.25747148
   0.13624512  0.16630998  0.49134462
   0.41038212  0.12064606  0.85829545
   0.09828859  0.43132105  0.61785735
   0.34696077  0.37825909  0.75437436
   0.14839017  0.65212226  0.01582578
   0.40365396  0.57154733  0.36250559
   0.07139713  0.89349940  0.15551389
   0.33802910  0.82563441  0.24861271
   0.15178682  0.66444535  0.48133212
   0.38687454  0.59524844  0.88137500
   0.06603377  0.90752713  0.60205877
   0.32430012  0.97262639  0.69113111
   0.64048384  0.15351461  1.00495870
   0.87616837  0.11110882  0.37321225
   0.63726411  0.41159708  0.13455008
   0.89448874  0.28090178  0.20244366
   0.64563034  0.18601213  0.51528423
   0.88626672  0.11736154  0.87424544
   0.58283084  0.46066788  0.62215889
   0.75737668  0.35635314  0.79681837
   0.63440125  0.65686158  0.00053405
   0.89988073  0.58101469  0.37613714
   0.58041006  0.89959921  0.12215830
   0.82593418  0.83497472  0.26366554
   0.63907034  0.65502559  0.46697285
   0.89582285  0.61147761  0.87786666
   0.60225042  0.95226130  0.63425416
   0.83349744  0.87110005  0.75762553
   0.10427188  0.05423451  0.15141019
   0.38256173  0.16786184  0.29091439
   0.10934132  0.26408212  0.04225649
   0.34697056  0.41665767  0.34990672
   0.54687480  0.34583834  0.22394771
   0.29655124  0.37196954  0.16846732
   0.28211217  0.09259899  0.46655405
   0.02880948  0.16035294  0.40003141
   0.07757939  0.06580726  0.56683808
   0.40430100  0.22855781  0.76727459
   0.16082974  0.32007487  0.53459761
   0.36196102  0.43150092  0.86262049
   0.44586167  0.46177221  0.67662944
   0.19190626  0.40343213  0.71632188
   0.31246728  0.18709924 -0.05270970
   0.04619520  0.13517766  0.88242979
   0.10458253  0.54486789  0.09857450
   0.38347871  0.66083768  0.26387827
   0.11818506  0.80328093  0.05806499
   0.39214925  0.92471860  0.33842883
   0.42322326  0.86999767  0.15371920
   0.17426307  0.84339415  0.24487541
   0.30534091  0.65140985  0.44219617
   0.06111914  0.57500078  0.40334088
   0.16021153  0.57802812  0.58173766
   0.36417779  0.65933551  0.77583392
   0.07897487  0.81567988  0.49601778
   0.34330941  0.98197981  0.80909883
   0.44388493  0.89184974  0.63637900
   0.17813261  0.88655237  0.68057912
   0.29807003  0.64447631 -0.02953701
   0.04755215  0.63112249  0.91601371
   0.61433484  0.06275498  0.10127676
   0.82744836  0.19064448  0.28141833
   0.60255131  0.31494986  0.04256488
   0.84566601  0.42796527  0.35371115
   0.04284843  0.36062909  0.22184663
   0.78565353  0.39980278  0.16741089
   0.80087187  0.13974558  0.47546804
   0.55989403  0.10852156  0.42639980
   0.61885418  0.11779759  0.61923541
   0.81609175  0.20083901  0.78393222
   0.58186263  0.34707720  0.52990223
   0.87605006  0.45966711  0.82569490
   0.94019994  0.43166521  0.61609298
   0.71206083  0.38964158  0.68492512
   0.79059640  0.15268276  0.96772218
   0.54570705  0.09707806  0.91949323
   0.60358718  0.57092197  0.09578109
   0.86215800  0.67225968  0.27865844
   0.59980319  0.82128360  0.02104769
   0.87048055  0.94333944  0.34854439
   0.90546419  0.88732546  0.17050543
   0.66675974  0.83566138  0.21426215
   0.80247021  0.65307765  0.45772745
   0.56466718  0.55751243  0.38916902
   0.59338224  0.62089900  0.57694073
   0.84999978  0.71817834  0.78728566
   0.56660208  0.80222038  0.43747978
   0.86311663  0.95411071  0.85691966
   0.91755302  0.88675846  0.64936660
   0.67859435  0.90394289  0.73534042
   0.79080117  0.63596151  0.96849156
   0.54159814  0.61528136  0.91031225
   0.70096329  0.88302453  0.57155972
   0.63303297  0.88514624  0.43428424
   0.89301462  0.17140397  0.11980334
   0.75035575  0.42336290  0.33484591
   0.29020578  0.08860624  0.64200682
   0.27889805  0.70928269  0.76024972
   0.01067713  1.09774892  0.14135089
   0.20469564  0.99613848 -0.00588182
   0.67970811  0.37910634  0.88048603
   0.84712533  0.39447394  0.63470012
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887277    0.198083   -0.125852
    -0.000000    9.798372   -0.258856
    -0.000000    0.000000   13.896279
   Si   O    H 
    32    64    10
Direct configuration=   537
   0.16919339  0.13425461 -0.03084375
   0.40048670  0.07429854  0.38474549
   0.14012566  0.38451738  0.12523845
   0.39265488  0.32560530  0.25682847
   0.13698417  0.16462714  0.49054828
   0.41212809  0.12068480  0.85797657
   0.09757033  0.43265375  0.61750081
   0.34659731  0.37781111  0.75424908
   0.14915337  0.65240364  0.01648298
   0.40396491  0.57097071  0.36261889
   0.07170486  0.89313689  0.15484116
   0.33796010  0.82502096  0.24934557
   0.15205172  0.66426041  0.48113158
   0.38714204  0.59469092  0.88203593
   0.06640913  0.90675714  0.60193975
   0.32471113  0.97279114  0.69152356
   0.63882693  0.15466330  1.00565767
   0.87685853  0.11157370  0.37239498
   0.63824720  0.41141463  0.13418671
   0.89457642  0.28139903  0.20147503
   0.64528364  0.18611195  0.51574852
   0.88540903  0.11622432  0.87514269
   0.58247456  0.46089229  0.62217200
   0.75823284  0.35676366  0.79551431
   0.63284036  0.65749092  0.00098074
   0.89815725  0.58036181  0.37683977
   0.58049231  0.90056499  0.12127999
   0.82598311  0.83362736  0.26249984
   0.63885275  0.65442549  0.46671523
   0.89529125  0.61193116  0.87800545
   0.60177061  0.95260393  0.63412600
   0.83417297  0.86929945  0.75735911
   0.10334611  0.05285231  0.15063913
   0.38481733  0.17037192  0.29148675
   0.10817141  0.26265586  0.04264891
   0.34598266  0.41714008  0.35054952
   0.54496565  0.34708224  0.22413897
   0.29440691  0.37261312  0.16871248
   0.28323332  0.09089864  0.46610755
   0.03094510  0.15842214  0.39913044
   0.07958516  0.06533646  0.56689923
   0.40350158  0.22935358  0.76670675
   0.16002043  0.32018336  0.53612462
   0.36198128  0.43158952  0.86312506
   0.44376612  0.46065347  0.67688682
   0.19194956  0.40528893  0.71628572
   0.31180087  0.18560327 -0.05347745
   0.04686822  0.13450234  0.88192743
   0.10447775  0.54494697  0.09925543
   0.38314231  0.65945751  0.26449337
   0.11696910  0.80486977  0.05676646
   0.39217766  0.92504648  0.33897440
   0.42310489  0.86963889  0.15432137
   0.17422709  0.84326432  0.24438331
   0.30611848  0.65432584  0.44131422
   0.06003661  0.57613153  0.40342919
   0.16106212  0.57788687  0.58109010
   0.36524320  0.65835007  0.77616048
   0.07965517  0.81643672  0.49509971
   0.34373969  0.98261678  0.80828684
   0.44607544  0.89222941  0.63736978
   0.17832975  0.88725346  0.68157094
   0.29697033  0.64392599 -0.02858946
   0.04804852  0.63093123  0.91709526
   0.61415215  0.06247627  0.10044586
   0.82836628  0.18918718  0.28198665
   0.60397430  0.31382233  0.04208696
   0.84584239  0.42633486  0.35351574
   0.04356904  0.36081341  0.22080715
   0.78662129  0.40063264  0.16673679
   0.80135123  0.14193059  0.47504209
   0.56116299  0.10881373  0.42584175
   0.61948356  0.11498639  0.61895744
   0.81495359  0.20136118  0.78486635
   0.58001168  0.34542771  0.53115931
   0.87674640  0.45866109  0.82408829
   0.93846950  0.43065464  0.61664254
   0.71309974  0.38802244  0.68427322
   0.79053205  0.15129399  0.96745494
   0.54597541  0.09730568  0.91941681
   0.60237968  0.57156344  0.09573885
   0.86215775  0.67245545  0.27921336
   0.60201649  0.82309977  0.02301275
   0.86955672  0.94353662  0.34906741
   0.90741147  0.88796629  0.17085445
   0.66675596  0.83618754  0.21403061
   0.80324289  0.65271384  0.45821442
   0.56491280  0.55746365  0.39070014
   0.59343562  0.62034177  0.57815448
   0.84722001  0.71728382  0.78676377
   0.56678367  0.80201796  0.43676376
   0.86269877  0.95428368  0.85742798
   0.91727003  0.88717941  0.64995019
   0.67841355  0.90338022  0.73529790
   0.78973028  0.63618370  0.96906272
   0.54440250  0.61555551  0.91062266
   0.70022192  0.87944468  0.56855934
   0.62937692  0.89184316  0.43461897
   0.89372210  0.17554509  0.12039767
   0.74632666  0.42105690  0.33535714
   0.28202332  0.08680680  0.64144229
   0.27404439  0.70399645  0.76389002
   0.01167339  1.09902863  0.13851973
   0.20109744  0.99588702 -0.00442197
   0.67409960  0.38011997  0.88555548
   0.85473427  0.39151781  0.63356880
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886783    0.196933   -0.122879
    -0.000000    9.797970   -0.256538
    -0.000000    0.000000   13.896808
   Si   O    H 
    32    64    10
Direct configuration=   538
   0.16976081  0.13616019 -0.03171666
   0.40083022  0.07341917  0.38485149
   0.14008874  0.38622649  0.12580091
   0.39180585  0.32422379  0.25620890
   0.13744745  0.16338638  0.48990750
   0.41333081  0.12041527  0.85793133
   0.09713351  0.43332995  0.61707036
   0.34600228  0.37774542  0.75410774
   0.14938888  0.65312381  0.01701720
   0.40359279  0.57102824  0.36307544
   0.07178624  0.89225713  0.15429357
   0.33811610  0.82498261  0.25026288
   0.15279177  0.66400506  0.48059036
   0.38735021  0.59469638  0.88219729
   0.06606136  0.90580411  0.60183663
   0.32415817  0.97295066  0.69168735
   0.63708675  0.15588974  1.00645032
   0.87811209  0.11133860  0.37269156
   0.63875910  0.41186848  0.13352191
   0.89475085  0.28241851  0.20051985
   0.64455903  0.18613001  0.51532604
   0.88439382  0.11545272  0.87637997
   0.58187525  0.46073367  0.62183792
   0.75902047  0.35709081  0.79424439
   0.63141201  0.65831512  0.00123275
   0.89724745  0.58003608  0.37761590
   0.58064511  0.90191249  0.12070502
   0.82523580  0.83259575  0.26129018
   0.63874080  0.65420016  0.46655900
   0.89437837  0.61271067  0.87837425
   0.60135761  0.95193985  0.63389126
   0.83558526  0.86746917  0.75706870
   0.10239303  0.05168044  0.15005025
   0.38679255  0.17282805  0.29266945
   0.10673077  0.26145867  0.04296953
   0.34526428  0.41773278  0.35064960
   0.54304759  0.34841138  0.22407278
   0.29265484  0.37404294  0.16856468
   0.28445159  0.08968584  0.46592143
   0.03346047  0.15646113  0.39868021
   0.08058214  0.06460257  0.56706142
   0.40320197  0.22883254  0.76620345
   0.15948896  0.32034711  0.53749469
   0.36153129  0.43149542  0.86377567
   0.44236676  0.45897681  0.67720656
   0.19126141  0.40777379  0.71607110
   0.31149301  0.18446946 -0.05458576
   0.04801481  0.13440747  0.88223586
   0.10501504  0.54485612  0.09921158
   0.38231548  0.65800246  0.26471195
   0.11496905  0.80664351  0.05607344
   0.39187151  0.92606867  0.33941444
   0.42267066  0.86904539  0.15517075
   0.17374963  0.84316482  0.24392826
   0.30730247  0.65707207  0.44057730
   0.05881976  0.57795168  0.40417456
   0.16183312  0.57846854  0.58088737
   0.36569049  0.65723775  0.77662178
   0.08032748  0.81730825  0.49485198
   0.34432127  0.98310656  0.80750275
   0.44851992  0.89272861  0.63870039
   0.17836487  0.88773906  0.68209018
   0.29635019  0.64333479 -0.02797042
   0.04840848  0.63055716  0.91767498
   0.61426453  0.06262247  0.09973610
   0.82925084  0.18893417  0.28243652
   0.60546930  0.31214356  0.04210707
   0.84538176  0.42393532  0.35365673
   0.04368436  0.36006034  0.21898502
   0.78790012  0.40105507  0.16653757
   0.80144220  0.14416816  0.47417636
   0.56146749  0.10915610  0.42544255
   0.62097751  0.11241530  0.61861715
   0.81388813  0.20202415  0.78583307
   0.57879250  0.34445760  0.53188713
   0.87748601  0.45697125  0.82313991
   0.93788486  0.43012411  0.61673787
   0.71292446  0.38731985  0.68361427
   0.79107089  0.15044621  0.96697467
   0.54570311  0.09788249  0.91968263
   0.60207482  0.57118379  0.09528528
   0.86221289  0.67300931  0.28006711
   0.60418026  0.82483914  0.02445427
   0.86858784  0.94307316  0.34907642
   0.90981650  0.88812297  0.17179018
   0.66699715  0.83738359  0.21397861
   0.80411937  0.65236785  0.45947709
   0.56564979  0.55652830  0.39139329
   0.59405100  0.61914702  0.57869337
   0.84425826  0.71566453  0.78558120
   0.56770547  0.80232942  0.43587053
   0.86197420  0.95394529  0.85733865
   0.91659764  0.88835105  0.65088652
   0.67672664  0.90252529  0.73506565
   0.78916041  0.63681459  0.96896656
   0.54717828  0.61533647  0.91049744
   0.69657429  0.87824645  0.56304621
   0.61568422  0.88655951  0.43510425
   0.89570420  0.17895088  0.12021696
   0.74744154  0.41900044  0.33782410
   0.27580191  0.09195776  0.63963403
   0.27722126  0.69489608  0.76778420
   0.01706789  1.09986123  0.13455037
   0.19236728  0.99242976 -0.00358169
   0.66767243  0.37906519  0.88779241
   0.86067379  0.39059163  0.63530504
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886252    0.195181   -0.120261
    -0.000000    9.796931   -0.253901
    -0.000000    0.000000   13.897324
   Si   O    H 
    32    64    10
Direct configuration=   539
   0.16877762  0.13805576 -0.03227572
   0.40110437  0.07276427  0.38537951
   0.13994785  0.38709439  0.12618775
   0.39186353  0.32246838  0.25635163
   0.13808748  0.16299217  0.48931212
   0.41375123  0.12012105  0.85744489
   0.09762744  0.43436816  0.61672445
   0.34556783  0.37791042  0.75421160
   0.14984111  0.65340681  0.01722914
   0.40349585  0.57099997  0.36401941
   0.07165994  0.89196215  0.15405752
   0.33877044  0.82484071  0.25168210
   0.15258172  0.66394474  0.48048374
   0.38766617  0.59482692  0.88238392
   0.06521657  0.90484098  0.60152234
   0.32357016  0.97305442  0.69159375
   0.63601268  0.15721220  1.00680652
   0.87944910  0.11062400  0.37298515
   0.63900862  0.41254559  0.13217229
   0.89558219  0.28352257  0.20011330
   0.64338956  0.18640441  0.51515079
   0.88381081  0.11451882  0.87740671
   0.58156289  0.46089509  0.62186386
   0.76002015  0.35723143  0.79331862
   0.62993965  0.65886147  0.00187345
   0.89645323  0.58007222  0.37847415
   0.58037016  0.90325951  0.12098164
   0.82487376  0.83189224  0.26020532
   0.63862134  0.65469856  0.46639834
   0.89298210  0.61307154  0.87848391
   0.60153686  0.95074231  0.63362725
   0.83721005  0.86560377  0.75633075
   0.10211673  0.05031743  0.14949259
   0.38869542  0.17493565  0.29388995
   0.10555104  0.26146532  0.04403234
   0.34546563  0.41864384  0.35062929
   0.54250818  0.34990442  0.22368515
   0.29144037  0.37543606  0.16845803
   0.28548604  0.08850284  0.46655664
   0.03601849  0.15434731  0.39845757
   0.08047531  0.06391258  0.56775307
   0.40338235  0.22722325  0.76572083
   0.15965878  0.32023833  0.53836895
   0.36066091  0.43109432  0.86404999
   0.44079157  0.45786678  0.67713609
   0.19043648  0.40978455  0.71595167
   0.31194199  0.18334781 -0.05662597
   0.04945978  0.13357385  0.88265482
   0.10557141  0.54475201  0.09932864
   0.38135894  0.65712144  0.26478816
   0.11391003  0.80900482  0.05475616
   0.39120032  0.92548134  0.33956401
   0.42261865  0.86908246  0.15534523
   0.17300180  0.84232979  0.24250562
   0.30921588  0.65932387  0.44007920
   0.05740293  0.58056431  0.40445676
   0.16270026  0.57934261  0.58091363
   0.36655535  0.65570644  0.77775223
   0.08037793  0.81823350  0.49525880
   0.34474242  0.98479704  0.80735502
   0.45071971  0.89284058  0.64025679
   0.17838518  0.88845860  0.68299440
   0.29646334  0.64350361 -0.02734809
   0.04945532  0.63023909  0.91807372
   0.61439136  0.06322572  0.09931526
   0.83012088  0.18855493  0.28259107
   0.60654783  0.31073399  0.04213829
   0.84475371  0.42219309  0.35373776
   0.04341027  0.35891601  0.21757701
   0.78964408  0.40224884  0.16623604
   0.80133437  0.14557188  0.47336127
   0.56099537  0.10977201  0.42516321
   0.62257322  0.11071748  0.61806532
   0.81389440  0.20217855  0.78676052
   0.57838394  0.34357998  0.53241543
   0.87818619  0.45610312  0.82289556
   0.93850176  0.43033374  0.61675246
   0.71214772  0.38743519  0.68310345
   0.79118535  0.14922122  0.96707117
   0.54598973  0.09896415  0.91982144
   0.60141144  0.57095181  0.09472238
   0.86230420  0.67379503  0.28087847
   0.60573049  0.82571386  0.02468661
   0.86765231  0.94285005  0.34928166
   0.91242576  0.88860670  0.17249085
   0.66823751  0.83882224  0.21405365
   0.80462360  0.65225592  0.46071082
   0.56608625  0.55573365  0.39216110
   0.59491539  0.61734519  0.57963435
   0.84190979  0.71339608  0.78410936
   0.56843665  0.80151400  0.43533052
   0.86189134  0.95306526  0.85719257
   0.91663133  0.88965407  0.65183408
   0.67479956  0.90169587  0.73491313
   0.78922308  0.63683674  0.96825115
   0.54969561  0.61494656  0.91059550
   0.68610055  0.88070643  0.55979598
   0.61003338  0.88587334  0.43645058
   0.89723466  0.18497484  0.11994658
   0.74671903  0.41749206  0.33881486
   0.27268202  0.09998083  0.64166926
   0.27700298  0.69331026  0.77240424
   0.02153575  1.10156389  0.12911574
   0.18378382  0.98978096 -0.00333045
   0.66254141  0.37662043  0.88352459
   0.85238212  0.38571812  0.63941945
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885842    0.193376   -0.117652
    -0.000000    9.796564   -0.250649
    -0.000000    0.000000   13.897601
   Si   O    H 
    32    64    10
Direct configuration=   540
   0.16723584  0.13962729 -0.03243836
   0.40163477  0.07329141  0.38563566
   0.13938086  0.38779649  0.12604795
   0.39163798  0.32163554  0.25647268
   0.13819857  0.16255378  0.48970948
   0.41421779  0.11941212  0.85691159
   0.09805658  0.43580118  0.61681496
   0.34446070  0.37836697  0.75438858
   0.15017837  0.65364753  0.01732156
   0.40326864  0.57179537  0.36476041
   0.07177384  0.89150746  0.15418201
   0.33947706  0.82478217  0.25308177
   0.15265535  0.66374834  0.48022058
   0.38749128  0.59485507  0.88242170
   0.06499113  0.90463768  0.60093992
   0.32278693  0.97387169  0.69086793
   0.63515435  0.15821005  1.00736303
   0.88051343  0.10958889  0.37324860
   0.63871987  0.41406210  0.13099920
   0.89662015  0.28511628  0.20040210
   0.64265139  0.18670321  0.51530041
   0.88334715  0.11364294  0.87786444
   0.58198835  0.46157978  0.62130449
   0.76093521  0.35716986  0.79312829
   0.62908619  0.65920632  0.00231623
   0.89572223  0.58008680  0.37945081
   0.57986005  0.90471276  0.12149901
   0.82440865  0.83101161  0.25948064
   0.63843195  0.65553577  0.46656867
   0.89151049  0.61322884  0.87866349
   0.60132716  0.94870847  0.63343430
   0.83806028  0.86467601  0.75571633
   0.10203240  0.04903928  0.14954782
   0.38875243  0.17603429  0.29500078
   0.10475936  0.26192391  0.04473571
   0.34635736  0.41915001  0.35064476
   0.54228968  0.35162607  0.22280075
   0.29084467  0.37706549  0.16883182
   0.28701114  0.08769377  0.46735966
   0.03880312  0.15337447  0.39827737
   0.07975962  0.06377956  0.56831859
   0.40487051  0.22500559  0.76515606
   0.15929397  0.32020608  0.53857354
   0.36051942  0.43089113  0.86401267
   0.44008111  0.45663218  0.67746407
   0.19041579  0.41134728  0.71627563
   0.31381085  0.18247180 -0.05879012
   0.05086580  0.13241986  0.88300521
   0.10553138  0.54474498  0.09926459
   0.38058822  0.65657783  0.26467345
   0.11270391  0.80978796  0.05352747
   0.39063448  0.92509248  0.34001940
   0.42247546  0.86902755  0.15551467
   0.17374822  0.84118022  0.24124341
   0.30990202  0.66165822  0.43922415
   0.05640684  0.58295753  0.40535512
   0.16296066  0.57996427  0.58047278
   0.36765169  0.65416846  0.77860631
   0.08125094  0.81928976  0.49649102
   0.34566665  0.98655443  0.80736299
   0.45171031  0.89328908  0.64112279
   0.17862811  0.88914196  0.68403835
   0.29659280  0.64285378 -0.02662236
   0.05095995  0.63006054  0.91805059
   0.61406668  0.06448098  0.09933532
   0.83104249  0.18797233  0.28206573
   0.60696919  0.30921780  0.04214140
   0.84401741  0.42096824  0.35455517
   0.04264146  0.35804869  0.21627939
   0.79277974  0.40323378  0.16652469
   0.80114671  0.14778028  0.47284488
   0.56068631  0.10963296  0.42511830
   0.62442618  0.10884811  0.61766660
   0.81373405  0.20245151  0.78819572
   0.57888027  0.34298501  0.53215865
   0.87904534  0.45555880  0.82298983
   0.93860262  0.43104526  0.61708954
   0.71108614  0.38797279  0.68255156
   0.79153661  0.14822458  0.96782266
   0.54674207  0.10064518  0.91993162
   0.60057098  0.57122148  0.09475406
   0.86225262  0.67420714  0.28164695
   0.60750534  0.82585767  0.02456869
   0.86697092  0.94235819  0.35003941
   0.91525616  0.88875586  0.17289111
   0.66956047  0.84014122  0.21414331
   0.80458785  0.65105409  0.46225592
   0.56632220  0.55490302  0.39271901
   0.59657380  0.61517855  0.58014896
   0.83965710  0.71046358  0.78318130
   0.56953472  0.79941098  0.43529250
   0.86264312  0.95264414  0.85672873
   0.91765915  0.89072473  0.65368834
   0.67318173  0.90088912  0.73496887
   0.78995338  0.63737735  0.96758119
   0.55091424  0.61486585  0.91015750
   0.67685852  0.88600515  0.55483537
   0.61066404  0.89576415  0.43947480
   0.89897807  0.18771096  0.11876425
   0.74930046  0.41723737  0.33802354
   0.27360528  0.10292763  0.64772657
   0.27559419  0.69238476  0.77529016
   0.02347873  1.10293414  0.12465176
   0.17500384  0.99279113 -0.00541232
   0.65947864  0.37672429  0.87624385
   0.85170299  0.38330630  0.64075319
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885608    0.192295   -0.115861
    -0.000000    9.795914   -0.247276
    -0.000000    0.000000   13.898143
   Si   O    H 
    32    64    10
Direct configuration=   541
   0.16520961  0.14077706 -0.03266807
   0.40191356  0.07411891  0.38573071
   0.13856792  0.38811848  0.12583308
   0.39089082  0.32143516  0.25637728
   0.13904842  0.16271435  0.48996233
   0.41463582  0.11863340  0.85650268
   0.09859644  0.43676879  0.61708401
   0.34355967  0.37891246  0.75417654
   0.15015960  0.65421722  0.01741618
   0.40296788  0.57259652  0.36541702
   0.07258847  0.89037212  0.15407544
   0.33971229  0.82413553  0.25394419
   0.15324516  0.66384742  0.48001222
   0.38736763  0.59512582  0.88216522
   0.06482330  0.90480800  0.60026384
   0.32172669  0.97458563  0.69018559
   0.63438479  0.15868398  1.00774084
   0.88205533  0.10846338  0.37351639
   0.63796294  0.41549718  0.12959138
   0.89730337  0.28616944  0.20052505
   0.64201257  0.18692557  0.51499793
   0.88251460  0.11324628  0.87807295
   0.58242139  0.46233442  0.62064338
   0.76205453  0.35762295  0.79322458
   0.62847226  0.65993443  0.00277586
   0.89504500  0.58063363  0.38023876
   0.57893009  0.90673290  0.12210562
   0.82403601  0.83050415  0.25873630
   0.63854423  0.65637197  0.46704992
   0.88973350  0.61369457  0.87857721
   0.60152330  0.94671794  0.63329591
   0.83778053  0.86390345  0.75512946
   0.10242370  0.04812436  0.14927456
   0.38840554  0.17623945  0.29599092
   0.10386252  0.26162203  0.04507800
   0.34720941  0.41946209  0.35107882
   0.54269304  0.35400506  0.22182225
   0.29093949  0.37834318  0.16936871
   0.28861483  0.08703542  0.46805745
   0.04140882  0.15229863  0.39825242
   0.07942787  0.06366413  0.56847522
   0.40640083  0.22300988  0.76479350
   0.15929064  0.32017069  0.53906295
   0.36019226  0.43129771  0.86436569
   0.43990984  0.45527637  0.67785008
   0.19010147  0.41248148  0.71647802
   0.31659256  0.18205966 -0.06069696
   0.05187482  0.13250788  0.88288799
   0.10641124  0.54591126  0.09912298
   0.37916374  0.65676925  0.26440705
   0.11237534  0.80988982  0.05216445
   0.38964447  0.92447241  0.34012458
   0.42185771  0.86915731  0.15577785
   0.17502831  0.84046390  0.24033136
   0.31057040  0.66424166  0.43864362
   0.05538464  0.58545034  0.40564010
   0.16325865  0.58073024  0.57975025
   0.36813473  0.65258720  0.77926348
   0.08318632  0.82068482  0.49746570
   0.34658516  0.98735217  0.80747437
   0.45238113  0.89446252  0.64191454
   0.17861101  0.88887743  0.68561347
   0.29727426  0.64177054 -0.02596605
   0.05195937  0.62895046  0.91765176
   0.61364898  0.06491209  0.09954464
   0.83158212  0.18780681  0.28152935
   0.60714107  0.30897630  0.04263078
   0.84428439  0.42044239  0.35546340
   0.04155172  0.35692322  0.21510077
   0.79613545  0.40443793  0.16677103
   0.80098452  0.14928295  0.47297216
   0.55982075  0.10977073  0.42509533
   0.62591816  0.10769232  0.61684822
   0.81398426  0.20233828  0.78925635
   0.57997495  0.34150041  0.53190873
   0.88092104  0.45598965  0.82325368
   0.93812350  0.43117238  0.61786148
   0.70951814  0.38916542  0.68201724
   0.79183787  0.14740106  0.96874540
   0.54805959  0.10153411  0.91986572
   0.59952394  0.57176448  0.09441725
   0.86249889  0.67544256  0.28283599
   0.60951105  0.82573787  0.02427230
   0.86572900  0.94237193  0.35011863
   0.91686436  0.88935076  0.17326525
   0.67128002  0.84185279  0.21475596
   0.80413085  0.65044284  0.46381669
   0.56604116  0.55269093  0.39282833
   0.59944766  0.61308004  0.58039882
   0.83841506  0.70742264  0.78289639
   0.57151607  0.79761688  0.43556139
   0.86318891  0.95176691  0.85609289
   0.91862133  0.89189852  0.65456745
   0.67221225  0.89998200  0.73554592
   0.78987306  0.63752847  0.96692871
   0.55099660  0.61417868  0.90933568
   0.66562990  0.89241809  0.55010358
   0.60582684  0.89430327  0.44399303
   0.89876572  0.19065188  0.11632817
   0.74894826  0.41619712  0.33780522
   0.28094950  0.10475481  0.65336977
   0.27515765  0.69414251  0.77608036
   0.02520725  1.10597765  0.12072046
   0.16864263  0.99923987 -0.00646836
   0.65860406  0.37508307  0.86314877
   0.85690250  0.38371611  0.64112626
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884914    0.191153   -0.114341
    -0.000000    9.795767   -0.243648
    -0.000000    0.000000   13.898925
   Si   O    H 
    32    64    10
Direct configuration=   542
   0.16363321  0.14207787 -0.03241517
   0.40238318  0.07485056  0.38589647
   0.13744062  0.38795586  0.12570432
   0.38952041  0.32212202  0.25637712
   0.14041102  0.16269321  0.49025845
   0.41447452  0.11832335  0.85580057
   0.09929145  0.43789053  0.61710264
   0.34310318  0.37927832  0.75423804
   0.14964330  0.65500997  0.01745297
   0.40297641  0.57371517  0.36598524
   0.07379025  0.88873794  0.15397370
   0.33990100  0.82399661  0.25480747
   0.15397834  0.66419989  0.47974542
   0.38813516  0.59531514  0.88254972
   0.06485747  0.90564202  0.59946302
   0.32029913  0.97506623  0.68991290
   0.63332812  0.15938613  1.00805179
   0.88302327  0.10664856  0.37414918
   0.63743069  0.41691702  0.12850070
   0.89751732  0.28622252  0.20075713
   0.64105089  0.18723055  0.51452384
   0.88205327  0.11333628  0.87741801
   0.58291323  0.46236977  0.62015570
   0.76299457  0.35808051  0.79273437
   0.62852625  0.66101602  0.00303188
   0.89476067  0.58106853  0.38091781
   0.57852763  0.90866895  0.12361383
   0.82354779  0.83025077  0.25793778
   0.63852402  0.65752026  0.46779869
   0.88789770  0.61431163  0.87821985
   0.60131183  0.94463121  0.63316079
   0.83744426  0.86294352  0.75436605
   0.10309172  0.04787610  0.14864312
   0.38727110  0.17609976  0.29666896
   0.10309377  0.26129684  0.04511588
   0.34821153  0.41977191  0.35119121
   0.54348386  0.35691827  0.22025857
   0.29080183  0.37920983  0.16956041
   0.28946386  0.08681927  0.46875139
   0.04371759  0.15188819  0.39830707
   0.07832451  0.06346061  0.56880307
   0.40796510  0.22099457  0.76461307
   0.15890032  0.31970707  0.53949497
   0.36031105  0.43161862  0.86507409
   0.43915124  0.45372601  0.67857327
   0.18976692  0.41355379  0.71727307
   0.31917524  0.18134219 -0.06231152
   0.05182108  0.13296557  0.88289448
   0.10713904  0.54743618  0.09853404
   0.37889479  0.65696489  0.26454573
   0.11171635  0.81014981  0.05105419
   0.38888005  0.92355962  0.34056918
   0.42085373  0.86926596  0.15569373
   0.17566387  0.83970800  0.23976665
   0.31028557  0.66650548  0.43828596
   0.05441117  0.58822934  0.40599095
   0.16313992  0.58149277  0.57953806
   0.36857130  0.65172184  0.77922772
   0.08515373  0.82125129  0.49811666
   0.34760930  0.98795650  0.80747355
   0.45214953  0.89594202  0.64285284
   0.17881563  0.88821857  0.68666160
   0.29798385  0.64084695 -0.02509638
   0.05223201  0.62768143  0.91678283
   0.61364578  0.06409470  0.09982478
   0.83246220  0.18848210  0.28144875
   0.60783425  0.30909840  0.04348957
   0.84502901  0.42063692  0.35653495
   0.04066050  0.35667863  0.21401428
   0.79845174  0.40615785  0.16719441
   0.80113911  0.15163364  0.47315480
   0.55874750  0.10946837  0.42500170
   0.62691855  0.10764742  0.61671796
   0.81523268  0.20226489  0.79053932
   0.58032431  0.34019855  0.53175208
   0.88338294  0.45753253  0.82374028
   0.93831809  0.43072256  0.61883459
   0.70857969  0.39035602  0.68156884
   0.79185128  0.14629682  0.97004199
   0.54932403  0.10258095  0.92028796
   0.59792475  0.57241591  0.09462581
   0.86264850  0.67586599  0.28411785
   0.61184049  0.82563396  0.02379971
   0.86410464  0.94198112  0.34980278
   0.91820516  0.88942058  0.17383338
   0.67240732  0.84455804  0.21553193
   0.80352388  0.65008511  0.46484224
   0.56564751  0.55034409  0.39141077
   0.60228420  0.61132128  0.58077112
   0.83808700  0.70453251  0.78301807
   0.57385180  0.79665682  0.43580386
   0.86419301  0.95078353  0.85498997
   0.91997957  0.89184293  0.65539703
   0.67225072  0.89925989  0.73623418
   0.78977118  0.63736819  0.96701710
   0.55115984  0.61429158  0.90782262
   0.65934519  0.89427839  0.54484496
   0.60219174  0.88654347  0.44926304
   0.89996264  0.19332836  0.11403094
   0.74830309  0.41631980  0.33965518
   0.28585930  0.10785241  0.65721351
   0.27806405  0.69462435  0.77406213
   0.02818126  1.10277113  0.11844596
   0.16464644  1.00686565 -0.00785439
   0.65530905  0.37140214  0.85341270
   0.86636999  0.39081501  0.63980847
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883878    0.190057   -0.112721
    -0.000000    9.796048   -0.239752
    -0.000000    0.000000   13.900185
   Si   O    H 
    32    64    10
Direct configuration=   543
   0.16254626  0.14379692 -0.03220154
   0.40342122  0.07585491  0.38557992
   0.13648347  0.38750623  0.12545400
   0.38875504  0.32302235  0.25634857
   0.14131742  0.16257952  0.49056547
   0.41384621  0.11851906  0.85554443
   0.10022845  0.43860782  0.61729157
   0.34293982  0.37966336  0.75431915
   0.14894271  0.65599619  0.01761716
   0.40300933  0.57501355  0.36633906
   0.07504418  0.88715250  0.15389767
   0.34040266  0.82382536  0.25565812
   0.15491970  0.66394013  0.47990100
   0.38926356  0.59527779  0.88276074
   0.06486214  0.90620443  0.59883570
   0.31950074  0.97491087  0.68928582
   0.63215675  0.15948926  1.00801015
   0.88455245  0.10443246  0.37468727
   0.63677047  0.41811406  0.12760265
   0.89763314  0.28639127  0.20097664
   0.63986792  0.18748658  0.51428685
   0.88104266  0.11330598  0.87669374
   0.58322168  0.46185819  0.62024693
   0.76337791  0.35913209  0.79229563
   0.62852748  0.66202547  0.00310632
   0.89440068  0.58086242  0.38133133
   0.57821248  0.91053171  0.12445036
   0.82321956  0.83052939  0.25753470
   0.63929598  0.65885097  0.46850419
   0.88577032  0.61482812  0.87756248
   0.60126019  0.94303622  0.63299051
   0.83608872  0.86240226  0.75381776
   0.10298520  0.04770865  0.14843273
   0.38566880  0.17631951  0.29716317
   0.10225185  0.26139835  0.04516883
   0.34927496  0.42047428  0.35104410
   0.54418158  0.36006000  0.21867155
   0.29083449  0.37963128  0.16957997
   0.29060137  0.08719802  0.46921615
   0.04485665  0.15189942  0.39777476
   0.07711809  0.06329962  0.56879401
   0.40888807  0.21989095  0.76367137
   0.15772807  0.31938063  0.54025495
   0.36062822  0.43176793  0.86578832
   0.43936968  0.45225469  0.67875422
   0.18904821  0.41450903  0.71848999
   0.32072630  0.18074639 -0.06345982
   0.05197822  0.13325373  0.88324748
   0.10817892  0.54834602  0.09792632
   0.37908139  0.65711751  0.26501624
   0.11072750  0.81078622  0.04960731
   0.38846040  0.92269828  0.34060842
   0.42008731  0.86959674  0.15514906
   0.17563393  0.83968825  0.23881797
   0.31090256  0.66865335  0.43831683
   0.05287334  0.59088968  0.40565133
   0.16325578  0.58234718  0.57921160
   0.36818464  0.65201647  0.77921386
   0.08726256  0.82111642  0.49878646
   0.34839976  0.98822817  0.80738612
   0.45178756  0.89774599  0.64386782
   0.17948276  0.88654371  0.68706963
   0.29916426  0.64006674 -0.02409729
   0.05224872  0.62708271  0.91589840
   0.61386850  0.06281577  0.10019550
   0.83292087  0.18905850  0.28157951
   0.60860546  0.30894429  0.04401933
   0.84550894  0.42193255  0.35784319
   0.03952162  0.35636608  0.21326262
   0.80065752  0.40866606  0.16745905
   0.80087329  0.15375258  0.47368572
   0.55806639  0.10757791  0.42516608
   0.62832256  0.10771428  0.61640650
   0.81553045  0.20230306  0.79159146
   0.58024379  0.33904518  0.53175330
   0.88625485  0.45900462  0.82467110
   0.93983180  0.43194906  0.61943535
   0.70714793  0.39159175  0.68082358
   0.79109474  0.14604226  0.97115864
   0.55023491  0.10258187  0.92057447
   0.59608112  0.57338986  0.09560891
   0.86313574  0.67588737  0.28529610
   0.61388469  0.82508780  0.02332573
   0.86226667  0.94074824  0.34966281
   0.91917338  0.88989734  0.17460174
   0.67311351  0.84741343  0.21564660
   0.80259375  0.65021322  0.46589461
   0.56512560  0.54832700  0.39024000
   0.60460068  0.60914575  0.58052792
   0.83820335  0.70187704  0.78321110
   0.57624939  0.79566662  0.43546120
   0.86515754  0.95018900  0.85419502
   0.92184976  0.89172411  0.65530066
   0.67280785  0.89971012  0.73799928
   0.78907969  0.63766490  0.96739247
   0.55086611  0.61434879  0.90594809
   0.65691925  0.89544808  0.54463737
   0.60135820  0.88517713  0.45242663
   0.90431618  0.19637507  0.11250462
   0.74849388  0.41829726  0.34006454
   0.29250473  0.10986646  0.65794660
   0.28272847  0.69497523  0.76892761
   0.03630542  1.09991657  0.11819452
   0.16180498  1.00886757 -0.00597996
   0.64454965  0.37020559  0.84852199
   0.85325043  0.38379498  0.64748271
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882357    0.189394   -0.111395
    -0.000000    9.796189   -0.235611
    -0.000000    0.000000   13.901094
   Si   O    H 
    32    64    10
Direct configuration=   544
   0.16174463  0.14493926 -0.03181475
   0.40431103  0.07742625  0.38538763
   0.13567422  0.38700618  0.12464423
   0.38881918  0.32407329  0.25627671
   0.14262093  0.16262037  0.49053286
   0.41329082  0.11870933  0.85556650
   0.10101300  0.43926141  0.61727435
   0.34345677  0.37947699  0.75405945
   0.14817804  0.65681880  0.01730333
   0.40302416  0.57596569  0.36665599
   0.07593823  0.88585883  0.15346785
   0.34107346  0.82324668  0.25625668
   0.15578417  0.66423653  0.48011061
   0.38994270  0.59614055  0.88328037
   0.06493717  0.90666436  0.59849836
   0.31827974  0.97432991  0.68938931
   0.63151766  0.15909507  1.00755826
   0.88557319  0.10259257  0.37539446
   0.63643378  0.41920262  0.12738478
   0.89738855  0.28621678  0.20123223
   0.63938803  0.18775035  0.51423231
   0.88019809  0.11285006  0.87603421
   0.58291525  0.46071514  0.62035581
   0.76387720  0.35976731  0.79210629
   0.62870140  0.66360549  0.00255729
   0.89413004  0.58057125  0.38123480
   0.57759238  0.91148334  0.12519768
   0.82322943  0.83100988  0.25761251
   0.64028095  0.65944838  0.46918503
   0.88402187  0.61503820  0.87731617
   0.60189393  0.94151445  0.63313819
   0.83480892  0.86222698  0.75383140
   0.10305325  0.04804381  0.14809218
   0.38395593  0.17637217  0.29723218
   0.10228173  0.26144595  0.04474778
   0.35066425  0.42174140  0.35114668
   0.54553916  0.36329535  0.21675976
   0.29050389  0.38046215  0.16979007
   0.29172993  0.08767511  0.46940787
   0.04501848  0.15254607  0.39765164
   0.07650762  0.06291986  0.56878167
   0.40852827  0.21973172  0.76278841
   0.15629328  0.31837055  0.54129574
   0.36066172  0.43204208  0.86673358
   0.43989962  0.45132163  0.67895776
   0.18817477  0.41583000  0.71956930
   0.32190399  0.18092610 -0.06427537
   0.05143011  0.13358120  0.88422008
   0.10899620  0.54928899  0.09716881
   0.37877589  0.65812479  0.26608207
   0.10998782  0.81119725  0.04910895
   0.38841555  0.92219599  0.34111783
   0.41934427  0.87027608  0.15414947
   0.17612306  0.83962831  0.23789551
   0.31150684  0.67071250  0.43786605
   0.05140221  0.59355101  0.40526786
   0.16346371  0.58268881  0.57906354
   0.36829312  0.65338071  0.77923731
   0.08969971  0.82036930  0.49993968
   0.34874377  0.98789700  0.80736034
   0.45082233  0.89927685  0.64476300
   0.18005681  0.88522571  0.68691835
   0.30063050  0.63915991 -0.02298295
   0.05155544  0.62639922  0.91536033
   0.61413198  0.06203071  0.10014299
   0.83336969  0.19025025  0.28176245
   0.60889003  0.30968425  0.04455229
   0.84566336  0.42200057  0.35939450
   0.03834237  0.35593096  0.21224838
   0.80290547  0.41099400  0.16728096
   0.79931189  0.15560218  0.47415239
   0.55695911  0.10567487  0.42489712
   0.63003082  0.10759895  0.61595286
   0.81603722  0.20357035  0.79256150
   0.58030973  0.33807180  0.53139448
   0.88914024  0.46136397  0.82549256
   0.94166661  0.43295912  0.61953559
   0.70670068  0.39297319  0.68027938
   0.78948032  0.14531205  0.97191054
   0.55050657  0.10311267  0.92076056
   0.59448635  0.57409760  0.09690322
   0.86373460  0.67533672  0.28645635
   0.61513322  0.82476255  0.02353867
   0.85984159  0.93923264  0.34919987
   0.91950701  0.88962534  0.17535726
   0.67395762  0.85019545  0.21572529
   0.80187547  0.64973572  0.46674297
   0.56526246  0.54651103  0.38983476
   0.60684888  0.60703820  0.58004320
   0.83851333  0.69949572  0.78361718
   0.57729768  0.79455766  0.43491075
   0.86642951  0.95017313  0.85341250
   0.92349408  0.89126499  0.65549639
   0.67304706  0.90019157  0.73886993
   0.78829648  0.63737564  0.96771878
   0.55105503  0.61387844  0.90397749
   0.65778859  0.89497767  0.54448562
   0.60391125  0.88593912  0.45457779
   0.90962044  0.19933071  0.11334446
   0.74900266  0.41832891  0.33978044
   0.29945269  0.10984556  0.65741067
   0.28257994  0.69910474  0.76197360
   0.03571235  1.10444562  0.11637733
   0.16470230  1.00758895 -0.00227370
   0.63192404  0.37290502  0.84647237
   0.84701709  0.38211023  0.65067710
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881251    0.188485   -0.109870
    -0.000000    9.796619   -0.231317
    -0.000000    0.000000   13.902005
   Si   O    H 
    32    64    10
Direct configuration=   545
   0.16143994  0.14580830 -0.03149335
   0.40447568  0.07895550  0.38511590
   0.13507439  0.38641810  0.12389335
   0.38913048  0.32506781  0.25596862
   0.14354317  0.16258238  0.49051407
   0.41257504  0.11890046  0.85538454
   0.10120490  0.43978271  0.61675361
   0.34308635  0.37883161  0.75396503
   0.14699581  0.65774101  0.01699127
   0.40333775  0.57681514  0.36673363
   0.07641796  0.88472831  0.15318137
   0.34149511  0.82252705  0.25675275
   0.15655818  0.66468619  0.48058034
   0.39049323  0.59679799  0.88392098
   0.06485337  0.90713053  0.59889254
   0.31741605  0.97391998  0.69006139
   0.63150727  0.15884971  1.00734448
   0.88618997  0.10109006  0.37593767
   0.63630600  0.41976603  0.12732495
   0.89654606  0.28579073  0.20119848
   0.63934964  0.18743444  0.51371214
   0.88021550  0.11198665  0.87538848
   0.58210812  0.45881315  0.62066614
   0.76464305  0.36041616  0.79213206
   0.62915008  0.66464346  0.00189934
   0.89326271  0.58037350  0.38121526
   0.57665012  0.91181632  0.12624942
   0.82342826  0.83142607  0.25742813
   0.64151274  0.65968618  0.46987722
   0.88234654  0.61534724  0.87775915
   0.60250529  0.94016221  0.63358758
   0.83387526  0.86186084  0.75385533
   0.10331695  0.04815219  0.14829530
   0.38205758  0.17683582  0.29675796
   0.10242078  0.26138392  0.04473088
   0.35217046  0.42338177  0.35147771
   0.54638347  0.36661148  0.21519275
   0.28976502  0.38062519  0.16986231
   0.29282501  0.08801033  0.46897527
   0.04460689  0.15314968  0.39710835
   0.07542297  0.06208170  0.56908502
   0.40812832  0.21982909  0.76228151
   0.15519454  0.31813088  0.54197716
   0.36034720  0.43269210  0.86768702
   0.44163562  0.45011344  0.67871708
   0.18748253  0.41675754  0.72049275
   0.32130727  0.18205840 -0.06403015
   0.04982659  0.13434297  0.88505235
   0.11006400  0.55036881  0.09644442
   0.37823599  0.65887835  0.26740750
   0.10947704  0.81178223  0.04862473
   0.38845698  0.92219604  0.34166261
   0.41865527  0.87125728  0.15336898
   0.17647347  0.83978378  0.23706343
   0.31212660  0.67170043  0.43749952
   0.05010411  0.59515925  0.40476122
   0.16402313  0.58299022  0.57924761
   0.36822159  0.65574682  0.77852030
   0.09140597  0.82012191  0.50127325
   0.34841843  0.98736272  0.80719193
   0.45042720  0.90104470  0.64529725
   0.18053401  0.88337330  0.68684858
   0.30213413  0.63833917 -0.02127734
   0.05061690  0.62604855  0.91470660
   0.61426200  0.06247069  0.10046134
   0.83312279  0.19076734  0.28136921
   0.60877358  0.31014913  0.04483730
   0.84627240  0.42183388  0.36129923
   0.03836379  0.35579366  0.21169133
   0.80473158  0.41307316  0.16689685
   0.79803340  0.15728176  0.47478421
   0.55610327  0.10439676  0.42462013
   0.63211712  0.10673896  0.61574327
   0.81534497  0.20475121  0.79294088
   0.57991722  0.33760913  0.53102338
   0.89203553  0.46360027  0.82676541
   0.94319805  0.43305553  0.62005524
   0.70658401  0.39458728  0.68026305
   0.78804949  0.14471435  0.97279504
   0.55069615  0.10358135  0.92014154
   0.59297512  0.57514334  0.09766099
   0.86481398  0.67465616  0.28730769
   0.61691305  0.82457988  0.02419016
   0.85754813  0.93855929  0.34844596
   0.91843806  0.88922082  0.17611466
   0.67475894  0.85321693  0.21596709
   0.80200815  0.64913632  0.46700267
   0.56562535  0.54474768  0.38972226
   0.60983044  0.60610869  0.57909797
   0.83911009  0.69850788  0.78392921
   0.57901696  0.79423149  0.43402287
   0.86739875  0.95000085  0.85267751
   0.92497989  0.89050019  0.65598916
   0.67320618  0.90072972  0.73921557
   0.78704904  0.63770674  0.96841905
   0.55051528  0.61376830  0.90244791
   0.66040510  0.89280247  0.54471519
   0.60657717  0.88760732  0.45558754
   0.91290108  0.20095524  0.11811144
   0.75028244  0.41946855  0.33944588
   0.30314580  0.11312626  0.65586541
   0.28182659  0.70274134  0.75374653
   0.02970736  1.11241809  0.11566796
   0.17376562  1.00569145 -0.00048830
   0.63203480  0.37254523  0.84515458
   0.84884685  0.38847273  0.64722472
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880095    0.187197   -0.108361
    -0.000000    9.797033   -0.226857
    -0.000000    0.000000   13.902898
   Si   O    H 
    32    64    10
Direct configuration=   546
   0.16170663  0.14615199 -0.03106104
   0.40539275  0.07978425  0.38500550
   0.13465130  0.38602670  0.12317040
   0.38934195  0.32606157  0.25583700
   0.14449190  0.16242093  0.49045831
   0.41231163  0.11931014  0.85535524
   0.10187436  0.43993809  0.61649333
   0.34265612  0.37855388  0.75423602
   0.14603681  0.65841555  0.01675142
   0.40416156  0.57719195  0.36699997
   0.07651394  0.88411195  0.15230620
   0.34178130  0.82181590  0.25695632
   0.15729237  0.66473773  0.48092302
   0.39059419  0.59690211  0.88397443
   0.06511010  0.90730693  0.59935619
   0.31610950  0.97448989  0.69090691
   0.63208132  0.15785315  1.00730451
   0.88617504  0.10049790  0.37620917
   0.63644621  0.42002198  0.12756061
   0.89567987  0.28561559  0.20080798
   0.63940073  0.18747466  0.51321572
   0.88011518  0.11064052  0.87515867
   0.58111917  0.45658838  0.62081449
   0.76491828  0.36133771  0.79206322
   0.63008237  0.66607640  0.00112213
   0.89207266  0.57944400  0.38104785
   0.57528212  0.91202838  0.12741810
   0.82419918  0.83209052  0.25736591
   0.64266979  0.65951572  0.47018131
   0.88066643  0.61585273  0.87815983
   0.60328782  0.93899703  0.63424892
   0.83305304  0.86122333  0.75416513
   0.10326641  0.04868939  0.14804954
   0.38001956  0.17663336  0.29632370
   0.10258878  0.26232707  0.04434810
   0.35462513  0.42461133  0.35171817
   0.54670143  0.36895437  0.21387102
   0.28840214  0.37914081  0.16977524
   0.29369474  0.08829754  0.46876791
   0.04432504  0.15376511  0.39663473
   0.07422120  0.06162349  0.56914962
   0.40835529  0.22012656  0.76172599
   0.15430176  0.31698848  0.54243181
   0.35933799  0.43296327  0.86864136
   0.44342987  0.44895796  0.67812696
   0.18669648  0.41773752  0.72171018
   0.31923621  0.18210871 -0.06367038
   0.04738928  0.13516114  0.88528376
   0.11031917  0.55125207  0.09595626
   0.37750703  0.66004599  0.26849493
   0.10868180  0.81237644  0.04837704
   0.38909764  0.92239613  0.34206892
   0.41844244  0.87102791  0.15273481
   0.17714852  0.84009555  0.23678057
   0.31246827  0.67315928  0.43780442
   0.04896463  0.59689103  0.40415833
   0.16391418  0.58352742  0.57937756
   0.36729463  0.65846791  0.77775671
   0.09324105  0.81994537  0.50204472
   0.34814953  0.98616593  0.80664290
   0.44963092  0.90248424  0.64499254
   0.18081599  0.88166581  0.68684099
   0.30301884  0.63888596 -0.01966597
   0.04881839  0.62588625  0.91393171
   0.61414343  0.06264138  0.10063399
   0.83279037  0.19109885  0.28111688
   0.60919207  0.31013283  0.04471272
   0.84615590  0.42247489  0.36347795
   0.03960479  0.35603271  0.21174303
   0.80462328  0.41524714  0.16604203
   0.79676403  0.15909440  0.47579966
   0.55563290  0.10321312  0.42384014
   0.63365896  0.10648910  0.61566368
   0.81515892  0.20538483  0.79306164
   0.57956937  0.33797460  0.53082798
   0.89388419  0.46481157  0.82849387
   0.94401766  0.43231632  0.62065738
   0.70649735  0.39561205  0.68062267
   0.78751563  0.14462252  0.97283609
   0.55100779  0.10435899  0.91867426
   0.59129017  0.57557924  0.09860251
   0.86585640  0.67427675  0.28774369
   0.61814731  0.82493246  0.02421817
   0.85477192  0.93827674  0.34772685
   0.91767607  0.88922616  0.17692295
   0.67510552  0.85603447  0.21575297
   0.80323362  0.64865641  0.46705116
   0.56681043  0.54341102  0.38989957
   0.61273165  0.60516467  0.57816892
   0.83979531  0.69829909  0.78418936
   0.58057102  0.79496888  0.43293196
   0.86903289  0.94903660  0.85217242
   0.92607848  0.88963213  0.65671007
   0.67392155  0.90170020  0.73896694
   0.78642630  0.63846511  0.96950128
   0.55045847  0.61411348  0.90133275
   0.66497886  0.88462174  0.54658020
   0.60747110  0.88785631  0.45463291
   0.91590329  0.19619559  0.12241032
   0.75276185  0.41895505  0.33944813
   0.30384677  0.11724917  0.65242484
   0.28555054  0.70333696  0.74897708
   0.02879207  1.11209039  0.11708884
   0.18386794  1.00382255  0.00170554
   0.63599606  0.37041580  0.84637299
   0.86148525  0.40238310  0.63690987
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878902    0.185905   -0.106724
    -0.000000    9.797439   -0.222559
    -0.000000    0.000000   13.903815
   Si   O    H 
    32    64    10
Direct configuration=   547
   0.16247375  0.14595659 -0.03122311
   0.40633365  0.08065992  0.38499072
   0.13439432  0.38553108  0.12230773
   0.38945966  0.32706041  0.25546099
   0.14615516  0.16222717  0.49066102
   0.41189317  0.11985689  0.85513371
   0.10301193  0.43967228  0.61650332
   0.34216671  0.37819289  0.75452514
   0.14485632  0.65846197  0.01574901
   0.40472277  0.57769957  0.36696945
   0.07682581  0.88383355  0.15121211
   0.34249697  0.82114601  0.25712176
   0.15812763  0.66542549  0.48112852
   0.38971892  0.59700794  0.88359634
   0.06557956  0.90726951  0.59963467
   0.31454295  0.97497993  0.69164063
   0.63301834  0.15697097  1.00753464
   0.88617468  0.09997880  0.37665121
   0.63671500  0.41950914  0.12799981
   0.89464140  0.28603138  0.20031095
   0.64027479  0.18745815  0.51298697
   0.87994465  0.10952939  0.87510563
   0.58057012  0.45410240  0.62060393
   0.76476384  0.36248297  0.79213509
   0.63086434  0.66762373 -0.00006628
   0.89133988  0.57905749  0.38092950
   0.57379308  0.91205658  0.12868406
   0.82527225  0.83331907  0.25748403
   0.64373164  0.65887926  0.47036977
   0.87963569  0.61589501  0.87842721
   0.60405998  0.93824071  0.63513992
   0.83253002  0.86052950  0.75439579
   0.10250131  0.05024978  0.14805894
   0.37815401  0.17616260  0.29554675
   0.10245878  0.26281346  0.04405306
   0.35617731  0.42462917  0.35158360
   0.54703035  0.37010372  0.21282633
   0.28636541  0.37692566  0.16999139
   0.29394943  0.08888009  0.46874416
   0.04418384  0.15452924  0.39613940
   0.07252867  0.06157645  0.56942602
   0.40825700  0.21969303  0.76123255
   0.15371042  0.31527773  0.54235018
   0.35814029  0.43357528  0.86962589
   0.44449595  0.44834464  0.67761335
   0.18619549  0.41883686  0.72331697
   0.31605933  0.18292779 -0.06297992
   0.04464526  0.13683411  0.88535583
   0.11004334  0.55169107  0.09575003
   0.37797998  0.66184124  0.26972889
   0.10747343  0.81223228  0.04824308
   0.38942204  0.92320486  0.34255436
   0.41900758  0.87135889  0.15255833
   0.17861998  0.84039702  0.23596566
   0.31258993  0.67421663  0.43861214
   0.04841668  0.59835682  0.40351684
   0.16375292  0.58387306  0.57988144
   0.36600068  0.66103030  0.77693554
   0.09459115  0.82040321  0.50244249
   0.34762129  0.98475662  0.80629202
   0.44849251  0.90311368  0.64440835
   0.18113905  0.87921343  0.68590430
   0.30232077  0.63911388 -0.01781987
   0.04708998  0.62590800  0.91351216
   0.61372119  0.06347426  0.10109828
   0.83279889  0.19084319  0.28146201
   0.60915078  0.30961490  0.04416056
   0.84662301  0.42322057  0.36534733
   0.04069658  0.35611185  0.21197761
   0.80442904  0.41720315  0.16559348
   0.79563009  0.15959883  0.47668199
   0.55614302  0.10259377  0.42330763
   0.63519625  0.10607814  0.61562238
   0.81499896  0.20589200  0.79296170
   0.57931365  0.33833887  0.53090586
   0.89504809  0.46545298  0.82990825
   0.94539589  0.43142003  0.62045706
   0.70699079  0.39672898  0.68162713
   0.78693652  0.14529415  0.97208794
   0.55011680  0.10560996  0.91744862
   0.58938637  0.57586402  0.09892228
   0.86597950  0.67454458  0.28797206
   0.61956447  0.82516632  0.02465442
   0.85145799  0.93846474  0.34744533
   0.91745338  0.88862503  0.17768168
   0.67472643  0.85902028  0.21518937
   0.80431489  0.64810965  0.46644751
   0.56687300  0.54353697  0.39030453
   0.61543456  0.60351657  0.57763959
   0.84057659  0.69823598  0.78479844
   0.58214201  0.79643360  0.43168973
   0.87060587  0.94826869  0.85232124
   0.92707365  0.88854984  0.65704054
   0.67458438  0.90209216  0.73848981
   0.78602530  0.63814676  0.97050558
   0.55090675  0.61346014  0.90149101
   0.67174752  0.87605892  0.55353347
   0.60668738  0.88340722  0.45184000
   0.91754179  0.19081639  0.12330531
   0.75176886  0.41692967  0.33808221
   0.30024969  0.11938279  0.64954584
   0.28652876  0.70164038  0.74584577
   0.03297210  1.10524178  0.12339704
   0.19769031  1.00096266  0.00118872
   0.64281364  0.36828871  0.84941583
   0.86344666  0.40933898  0.62936459
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877878    0.184835   -0.105168
    -0.000000    9.797160   -0.218986
    -0.000000    0.000000   13.904969
   Si   O    H 
    32    64    10
Direct configuration=   548
   0.16338432  0.14542779 -0.03111357
   0.40740747  0.08105882  0.38454241
   0.13446587  0.38485851  0.12117719
   0.38979108  0.32860706  0.25512290
   0.14790254  0.16178419  0.49094131
   0.41085221  0.12052072  0.85516056
   0.10389392  0.43891439  0.61626332
   0.34196616  0.37850753  0.75491874
   0.14320262  0.65771078  0.01419789
   0.40563881  0.57812773  0.36668174
   0.07646955  0.88391966  0.15046045
   0.34298331  0.82037074  0.25687637
   0.15908920  0.66567270  0.48107552
   0.38893521  0.59725306  0.88295402
   0.06637532  0.90784789  0.59988998
   0.31313042  0.97544208  0.69233286
   0.63345770  0.15617653  1.00766569
   0.88657439  0.10001895  0.37723139
   0.63761218  0.41851782  0.12873462
   0.89343161  0.28636673  0.20007549
   0.64081731  0.18694385  0.51277553
   0.88033662  0.10786252  0.87526075
   0.57996346  0.45138376  0.62017866
   0.76466293  0.36411719  0.79213241
   0.63162463  0.66933893 -0.00104850
   0.89087892  0.57847308  0.38077971
   0.57235818  0.91201046  0.12938124
   0.82609813  0.83435869  0.25757279
   0.64472266  0.65775520  0.47011464
   0.87873265  0.61603081  0.87853484
   0.60460937  0.93762557  0.63638447
   0.83248408  0.86047680  0.75462309
   0.10192551  0.05088160  0.14782254
   0.37697625  0.17631283  0.29513228
   0.10256832  0.26390981  0.04355218
   0.35805958  0.42346541  0.35104301
   0.54687890  0.37063228  0.21241011
   0.28405967  0.37432442  0.17042490
   0.29412145  0.08997974  0.46872891
   0.04412812  0.15457004  0.39575900
   0.07179460  0.06240717  0.57013718
   0.40862732  0.21882059  0.76092205
   0.15373442  0.31360019  0.54225615
   0.35675361  0.43464756  0.87023367
   0.44509853  0.44700923  0.67757248
   0.18499435  0.42000865  0.72452889
   0.31265195  0.18410130 -0.06257582
   0.04183463  0.13772005  0.88499256
   0.10934126  0.55014176  0.09501307
   0.37868761  0.66326727  0.27071901
   0.10704608  0.81209072  0.04835748
   0.39046583  0.92422312  0.34262410
   0.41939167  0.87208121  0.15259360
   0.17974307  0.84086506  0.23550684
   0.31200234  0.67501261  0.43987403
   0.04870151  0.59919837  0.40316201
   0.16311942  0.58353266  0.57997419
   0.36486454  0.66407671  0.77670985
   0.09571456  0.82098530  0.50339382
   0.34692938  0.98404829  0.80669258
   0.44733701  0.90315669  0.64310434
   0.18133353  0.87697851  0.68481378
   0.30186428  0.64040023 -0.01590707
   0.04493773  0.62620680  0.91352647
   0.61312559  0.06440867  0.10067636
   0.83279805  0.18991674  0.28236715
   0.60869867  0.30890443  0.04348234
   0.84747900  0.42410512  0.36725645
   0.04177611  0.35593628  0.21252510
   0.80440021  0.41920526  0.16482466
   0.79517753  0.16051202  0.47679650
   0.55678098  0.10235116  0.42256594
   0.63684916  0.10537896  0.61554494
   0.81431824  0.20616328  0.79300619
   0.57920483  0.33872492  0.53080543
   0.89430850  0.46525719  0.83076706
   0.94816873  0.43124987  0.61928601
   0.70842223  0.39891467  0.68278902
   0.78723901  0.14515468  0.97165064
   0.54972260  0.10733045  0.91638822
   0.58722402  0.57633216  0.09947683
   0.86615052  0.67507345  0.28800007
   0.62017999  0.82528362  0.02517886
   0.84915855  0.93917291  0.34753057
   0.91823267  0.88763684  0.17792561
   0.67397299  0.86127050  0.21512387
   0.80550885  0.64822649  0.46588379
   0.56716525  0.54379188  0.39142066
   0.61756488  0.60180261  0.57789447
   0.84183378  0.69888998  0.78515853
   0.58339195  0.79709806  0.43081348
   0.87126377  0.94734931  0.85222764
   0.92761346  0.88747292  0.65803880
   0.67528092  0.90190919  0.73754404
   0.78564805  0.63719713  0.97163312
   0.55167669  0.61307549  0.90178649
   0.67954877  0.86381776  0.56027153
   0.60779916  0.88787729  0.44912411
   0.91346317  0.18494703  0.11922656
   0.75507292  0.41535465  0.33791539
   0.29607742  0.11473930  0.64782492
   0.28604097  0.70161616  0.74771742
   0.03169336  1.10305262  0.13006881
   0.20628364  1.00739201 -0.00300981
   0.64629234  0.36761705  0.85094841
   0.83897732  0.41116249  0.62251883
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877040    0.183934   -0.104012
    -0.000000    9.797027   -0.215116
    -0.000000    0.000000   13.905988
   Si   O    H 
    32    64    10
Direct configuration=   549
   0.16383525  0.14471831 -0.03088790
   0.40783972  0.08113986  0.38402942
   0.13447789  0.38451354  0.11986310
   0.38989358  0.33056718  0.25518894
   0.14950893  0.16112141  0.49123319
   0.40964443  0.12128807  0.85568813
   0.10541408  0.43789080  0.61598150
   0.34161046  0.37868953  0.75538275
   0.14180043  0.65757594  0.01224405
   0.40607253  0.57852850  0.36641771
   0.07637256  0.88405562  0.14988184
   0.34387676  0.81923803  0.25671803
   0.15981942  0.66625845  0.48053318
   0.38787965  0.59718269  0.88260737
   0.06700019  0.90871511  0.60043990
   0.31227885  0.97600716  0.69301542
   0.63460135  0.15463026  1.00766680
   0.88663283  0.10009054  0.37774767
   0.63781174  0.41804746  0.12929507
   0.89287930  0.28663835  0.19978207
   0.64115234  0.18610527  0.51246867
   0.88096290  0.10729819  0.87543288
   0.57913368  0.44913445  0.61953208
   0.76463182  0.36583792  0.79212198
   0.63152158  0.67073127 -0.00185218
   0.89031619  0.57793816  0.38064685
   0.57097196  0.91118355  0.13011291
   0.82663139  0.83519270  0.25763950
   0.64533660  0.65683565  0.46988725
   0.87857452  0.61601646  0.87909303
   0.60516825  0.93774444  0.63709452
   0.83238280  0.85984230  0.75509792
   0.10267086  0.04965088  0.14776143
   0.37645496  0.17579162  0.29464258
   0.10271197  0.26477003  0.04315384
   0.35996580  0.42292265  0.35082885
   0.54646127  0.37099071  0.21258129
   0.28240364  0.37215014  0.17069322
   0.29427905  0.09132456  0.46909637
   0.04353283  0.15467415  0.39577364
   0.07115844  0.06443273  0.57032517
   0.40899133  0.21841505  0.76003704
   0.15393431  0.31262596  0.54181591
   0.35564180  0.43503923  0.86982805
   0.44506051  0.44591656  0.67780158
   0.18401022  0.42073422  0.72530063
   0.30947251  0.18502032 -0.06204376
   0.03994826  0.13965260  0.88503221
   0.10882918  0.54832053  0.09436496
   0.38008968  0.66420323  0.27104412
   0.10717373  0.81252715  0.04843508
   0.39161700  0.92600729  0.34285372
   0.41967408  0.87239736  0.15224600
   0.18058009  0.84097284  0.23524268
   0.31137390  0.67525187  0.44094728
   0.04861739  0.60022994  0.40336522
   0.16290355  0.58282047  0.58049405
   0.36493900  0.66756441  0.77688965
   0.09648459  0.82143784  0.50442922
   0.34624261  0.98380452  0.80746440
   0.44624153  0.90278589  0.64198872
   0.18116728  0.87504356  0.68372713
   0.30148576  0.64150510 -0.01429802
   0.04248917  0.62675549  0.91412740
   0.61239718  0.06550909  0.10074910
   0.83242398  0.18935940  0.28358748
   0.60780675  0.30843042  0.04255937
   0.84774604  0.42465951  0.36888564
   0.04264813  0.35578942  0.21374727
   0.80287170  0.42082049  0.16387394
   0.79550111  0.16207380  0.47641646
   0.55812418  0.10304649  0.42169685
   0.63762395  0.10434800  0.61554373
   0.81419045  0.20619422  0.79278273
   0.57905111  0.33864929  0.53053335
   0.89355762  0.46421854  0.83076141
   0.94976579  0.43039232  0.61814179
   0.70982494  0.39992614  0.68379253
   0.78819856  0.14484821  0.97133781
   0.54897698  0.10902084  0.91526173
   0.58595020  0.57688874  0.09878610
   0.86633501  0.67580138  0.28752446
   0.62053714  0.82472934  0.02601830
   0.84754276  0.94024637  0.34827876
   0.92022345  0.88739093  0.17748155
   0.67294260  0.86388524  0.21557882
   0.80685713  0.64859065  0.46565156
   0.56765957  0.54428973  0.39277875
   0.61867128  0.60009991  0.57846221
   0.84250348  0.69999098  0.78546383
   0.58490597  0.79748700  0.42951031
   0.87203805  0.94656785  0.85200819
   0.92861462  0.88632144  0.65933012
   0.67628316  0.90103209  0.73615551
   0.78510225  0.63641026  0.97298149
   0.55281679  0.61302425  0.90236855
   0.68219287  0.85110069  0.56667049
   0.60988971  0.89413867  0.44653658
   0.90413560  0.18165779  0.11479553
   0.76269024  0.41178621  0.33942171
   0.29049560  0.10505694  0.64621918
   0.27988625  0.70483482  0.74802814
   0.01564615  1.11016505  0.13239242
   0.21138807  1.01482187 -0.00738778
   0.64836622  0.37117677  0.85403058
   0.82989273  0.42044870  0.61779206
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876388    0.183229   -0.103224
    -0.000000    9.796814   -0.211761
    -0.000000    0.000000   13.906888
   Si   O    H 
    32    64    10
Direct configuration=   550
   0.16352435  0.14451637 -0.03089956
   0.40802050  0.08074699  0.38365681
   0.13440616  0.38429535  0.11843829
   0.38964884  0.33193425  0.25490483
   0.15111570  0.16065143  0.49196636
   0.40833573  0.12217586  0.85615446
   0.10781665  0.43673292  0.61590722
   0.34139601  0.37934571  0.75559936
   0.14018806  0.65785133  0.01019517
   0.40649683  0.57857633  0.36616950
   0.07625907  0.88479195  0.14935033
   0.34453827  0.81882054  0.25656778
   0.15941424  0.66704006  0.47981732
   0.38647972  0.59730288  0.88186022
   0.06799406  0.90959776  0.60078732
   0.31136573  0.97707141  0.69365779
   0.63591083  0.15371055  1.00720519
   0.88708607  0.10011129  0.37798257
   0.63799603  0.41845545  0.12943833
   0.89206163  0.28722326  0.19928370
   0.64181464  0.18551312  0.51210529
   0.88153531  0.10704997  0.87590865
   0.57948071  0.44683557  0.61886187
   0.76504413  0.36785314  0.79232462
   0.63101525  0.67111780 -0.00243986
   0.88976637  0.57727549  0.38039210
   0.56938284  0.91080350  0.13058184
   0.82711809  0.83581020  0.25745270
   0.64636653  0.65560988  0.46950974
   0.87859183  0.61637281  0.87973737
   0.60496797  0.93837256  0.63795378
   0.83198473  0.85944132  0.75501527
   0.10292114  0.04909332  0.14739763
   0.37605764  0.17609734  0.29351386
   0.10259560  0.26585717  0.04265588
   0.36193355  0.42214526  0.35085709
   0.54577807  0.37194419  0.21354242
   0.28037654  0.36977892  0.17044084
   0.29421499  0.09295307  0.46859499
   0.04345326  0.15455037  0.39607576
   0.07073951  0.06612975  0.57057501
   0.40843745  0.21863466  0.75888074
   0.15389367  0.31127192  0.54111345
   0.35410922  0.43562621  0.86874584
   0.44396882  0.44504858  0.67809835
   0.18294112  0.42075114  0.72604806
   0.30723323  0.18655470 -0.06151581
   0.03848156  0.14176333  0.88552494
   0.10840235  0.54646745  0.09374247
   0.38163955  0.66457618  0.27099823
   0.10821581  0.81311906  0.04861500
   0.39219135  0.92818359  0.34277052
   0.41983491  0.87265694  0.15258926
   0.18113188  0.84080429  0.23516771
   0.31113262  0.67517998  0.44195685
   0.04816967  0.60139173  0.40325903
   0.16283331  0.58145468  0.58096151
   0.36558053  0.67060312  0.77745405
   0.09764669  0.82136068  0.50600212
   0.34666643  0.98330688  0.80823409
   0.44504205  0.90251929  0.64048109
   0.18126826  0.87374266  0.68276533
   0.30169411  0.64265612 -0.01375924
   0.04104709  0.62744652  0.91504969
   0.61047428  0.06745898  0.10088113
   0.83343464  0.18901789  0.28510356
   0.60756598  0.30878689  0.04142786
   0.84894139  0.42499731  0.37042060
   0.04341579  0.35558405  0.21494153
   0.80064746  0.42170356  0.16327071
   0.79625668  0.16320744  0.47535944
   0.55973417  0.10403791  0.42143919
   0.63789693  0.10365374  0.61476432
   0.81425362  0.20546595  0.79246304
   0.57929943  0.33825354  0.52965840
   0.89180250  0.46294210  0.82978479
   0.94964446  0.42922222  0.61702552
   0.71170400  0.40128519  0.68484227
   0.78930697  0.14445163  0.97141817
   0.54917402  0.11064944  0.91374485
   0.58451451  0.57707650  0.09792827
   0.86598856  0.67636621  0.28745295
   0.62131688  0.82418344  0.02644454
   0.84646913  0.94137683  0.34924756
   0.92163039  0.88711367  0.17672920
   0.67207683  0.86572257  0.21558751
   0.80747678  0.64884113  0.46528225
   0.56864805  0.54579645  0.39422976
   0.62065242  0.59840804  0.57891637
   0.84332775  0.70099953  0.78585224
   0.58700772  0.79813499  0.42874290
   0.87362807  0.94598296  0.85199910
   0.92921597  0.88548936  0.66061452
   0.67761584  0.89966578  0.73444579
   0.78455620  0.63451872  0.97396240
   0.55269464  0.61386330  0.90309747
   0.68159084  0.83831297  0.57611858
   0.61242044  0.89276113  0.44227277
   0.89259458  0.18177171  0.11067367
   0.76085469  0.40970180  0.33868982
   0.28951580  0.09650679  0.64574195
   0.27821044  0.70602799  0.74932274
   0.00755335  1.11241548  0.13399036
   0.21289200  1.01278652 -0.00729175
   0.64987470  0.37742827  0.85749353
   0.83253726  0.42940408  0.61446041
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876138    0.183092   -0.102629
    -0.000000    9.797138   -0.208424
    -0.000000    0.000000   13.907712
   Si   O    H 
    32    64    10
Direct configuration=   551
   0.16308708  0.14414065 -0.03072138
   0.40795356  0.08021173  0.38331625
   0.13417845  0.38426074  0.11734069
   0.38964836  0.33329660  0.25436922
   0.15259900  0.16038979  0.49333519
   0.40667099  0.12234931  0.85712788
   0.11046318  0.43518913  0.61603822
   0.34094778  0.37974027  0.75589840
   0.13938238  0.65794075  0.00793480
   0.40647689  0.57926210  0.36607051
   0.07643131  0.88582206  0.14867385
   0.34494694  0.81874363  0.25624761
   0.15916827  0.66723920  0.47948724
   0.38493290  0.59822460  0.88122790
   0.06892975  0.91013017  0.60173431
   0.31081360  0.97771520  0.69416188
   0.63713869  0.15338381  1.00660329
   0.88684404  0.10105591  0.37816652
   0.63846466  0.41887974  0.12950169
   0.89123737  0.28785964  0.19914855
   0.64294274  0.18543310  0.51166962
   0.88176126  0.10736774  0.87622735
   0.58083778  0.44533477  0.61812288
   0.76550970  0.36963791  0.79258948
   0.63027524  0.67215453 -0.00290025
   0.88918272  0.57712106  0.37988118
   0.56868640  0.91025692  0.13079856
   0.82673792  0.83644036  0.25716904
   0.64686485  0.65456243  0.46868811
   0.87941415  0.61710824  0.88061099
   0.60513941  0.93918006  0.63870042
   0.83197996  0.85895680  0.75503216
   0.10231092  0.04872580  0.14653997
   0.37570772  0.17733849  0.29195840
   0.10262220  0.26672321  0.04150363
   0.36330717  0.42149786  0.35127681
   0.54471574  0.37215413  0.21478073
   0.27828562  0.36855562  0.17038533
   0.29477742  0.09380115  0.46748461
   0.04367625  0.15478387  0.39584042
   0.07006677  0.06719109  0.57033710
   0.40787769  0.21874780  0.75781927
   0.15380008  0.30952008  0.54018668
   0.35281409  0.43716987  0.86714596
   0.44338533  0.44460582  0.67876674
   0.18264839  0.42021542  0.72693072
   0.30666407  0.18778025 -0.06133289
   0.03734361  0.14379417  0.88599945
   0.10659488  0.54421358  0.09342918
   0.38280249  0.66510599  0.27105044
   0.10854183  0.81307295  0.04833475
   0.39238850  0.92962771  0.34236338
   0.42015498  0.87290592  0.15269104
   0.18190113  0.84025089  0.23522518
   0.31120152  0.67402459  0.44250954
   0.04866141  0.60235287  0.40319147
   0.16286978  0.58091449  0.58137217
   0.36651889  0.67327231  0.77797921
   0.09887485  0.82093784  0.50799862
   0.34696761  0.98279703  0.80929913
   0.44453972  0.90201996  0.63923710
   0.18178387  0.87257677  0.68156687
   0.30139241  0.64405038 -0.01383621
   0.03883529  0.62825255  0.91609538
   0.60877097  0.06906801  0.10139793
   0.83338895  0.18892829  0.28623708
   0.60704153  0.30950640  0.03966812
   0.85069632  0.42433977  0.37125415
   0.04473992  0.35584278  0.21564813
   0.79860438  0.42247855  0.16224473
   0.79744768  0.16401415  0.47420020
   0.56135693  0.10431436  0.42216334
   0.63787049  0.10277166  0.61390513
   0.81463016  0.20520227  0.79171948
   0.58035074  0.33669703  0.52874606
   0.88967034  0.46247982  0.82848012
   0.94892236  0.42776543  0.61576975
   0.71236034  0.40188604  0.68551871
   0.78995111  0.14414482  0.97104498
   0.54950077  0.11255779  0.91273169
   0.58363303  0.57719755  0.09748379
   0.86594124  0.67664481  0.28746805
   0.62194365  0.82407687  0.02732003
   0.84664792  0.94215043  0.34959561
   0.92227665  0.88606716  0.17582119
   0.67080408  0.86767742  0.21528813
   0.80796375  0.64946291  0.46505244
   0.56969564  0.54778721  0.39554113
   0.62173139  0.59685082  0.57912041
   0.84406629  0.70226401  0.78683419
   0.58842628  0.79837036  0.42832909
   0.87522865  0.94522849  0.85187453
   0.92913386  0.88550458  0.66156977
   0.67920898  0.89845459  0.73356250
   0.78461443  0.63169158  0.97504369
   0.55207513  0.61473695  0.90373467
   0.67671680  0.83162563  0.58293941
   0.61741044  0.89241805  0.44006158
   0.88734385  0.18023538  0.11026303
   0.76065244  0.40659250  0.33684849
   0.28783092  0.09337025  0.64322519
   0.27884466  0.70665673  0.75010490
   0.01077025  1.10535837  0.13870052
   0.20789028  1.00436331 -0.00652735
   0.64770308  0.38124968  0.86447556
   0.84911147  0.43958712  0.61413982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875866    0.182872   -0.101696
    -0.000000    9.797389   -0.204750
    -0.000000    0.000000   13.908900
   Si   O    H 
    32    64    10
Direct configuration=   552
   0.16180052  0.14286764 -0.03023550
   0.40773889  0.07995528  0.38297071
   0.13398352  0.38431281  0.11678452
   0.38997275  0.33462435  0.25371112
   0.15352682  0.16034406  0.49482208
   0.40507541  0.12258269  0.85797357
   0.11292443  0.43377688  0.61595458
   0.33995997  0.37999346  0.75618396
   0.13902104  0.65766576  0.00650319
   0.40609301  0.58013295  0.36578281
   0.07690511  0.88699868  0.14830570
   0.34530458  0.81893459  0.25571410
   0.15856750  0.66831577  0.47929104
   0.38345231  0.59937490  0.88088831
   0.06954908  0.91067353  0.60234209
   0.31041698  0.97767088  0.69483097
   0.63782963  0.15325406  1.00587748
   0.88674283  0.10269295  0.37845418
   0.63843254  0.41951938  0.12947191
   0.89032586  0.28924120  0.19887867
   0.64380434  0.18559146  0.51128357
   0.88138660  0.10799385  0.87650522
   0.58257186  0.44345943  0.61763717
   0.76552992  0.37052998  0.79242915
   0.62968162  0.67206146 -0.00279170
   0.88978472  0.57754760  0.37921523
   0.56793366  0.90947934  0.13096875
   0.82590461  0.83737718  0.25719905
   0.64751204  0.65359592  0.46792728
   0.87972851  0.61745737  0.88120769
   0.60533866  0.93979817  0.63955609
   0.83274114  0.85883948  0.75505461
   0.10155953  0.04917656  0.14548409
   0.37552888  0.17811105  0.29040269
   0.10241357  0.26827924  0.04016704
   0.36410004  0.42123285  0.35173888
   0.54390553  0.37256608  0.21614941
   0.27745163  0.36737511  0.17037878
   0.29510707  0.09413777  0.46640799
   0.04365581  0.15436272  0.39619554
   0.07009609  0.06765660  0.56999542
   0.40690170  0.21969512  0.75681896
   0.15420485  0.30870871  0.53912803
   0.35161158  0.43854892  0.86624155
   0.44332684  0.44437107  0.67965216
   0.18219065  0.41907940  0.72743096
   0.30648191  0.18930974 -0.06124534
   0.03679709  0.14614469  0.88707603
   0.10525973  0.54262765  0.09324034
   0.38417269  0.66518095  0.27122361
   0.10838861  0.81202425  0.04740836
   0.39277985  0.93037216  0.34197000
   0.41977698  0.87249008  0.15329793
   0.18245446  0.83943150  0.23553882
   0.31086923  0.67389582  0.44282071
   0.04776015  0.60338845  0.40351006
   0.16240231  0.58025556  0.58148181
   0.36672400  0.67625184  0.77857725
   0.10053245  0.82088252  0.50959009
   0.34715389  0.98143564  0.80979941
   0.44433503  0.90138304  0.63758906
   0.18189887  0.87143401  0.68083010
   0.30011000  0.64593033 -0.01411079
   0.03742405  0.62966626  0.91707565
   0.60716148  0.06998945  0.10162911
   0.83361875  0.18988152  0.28680595
   0.60657020  0.31100017  0.03854253
   0.85205303  0.42342403  0.37163674
   0.04505815  0.35544052  0.21573395
   0.79692866  0.42299322  0.16154185
   0.79930746  0.16498067  0.47239923
   0.56214095  0.10441647  0.42293170
   0.63781178  0.10102885  0.61319161
   0.81482437  0.20525691  0.79115542
   0.58103721  0.33482330  0.52770072
   0.88764555  0.46177647  0.82740518
   0.94811181  0.42662950  0.61446149
   0.71277155  0.40184778  0.68545498
   0.79108530  0.14467953  0.97023513
   0.54929793  0.11403718  0.91214820
   0.58296483  0.57752471  0.09663985
   0.86651249  0.67804648  0.28734958
   0.62146996  0.82446218  0.02815703
   0.84715630  0.94240998  0.35036380
   0.92276982  0.88468274  0.17517580
   0.66986793  0.86870509  0.21545045
   0.80807205  0.64920120  0.46535537
   0.56993537  0.54982604  0.39737403
   0.62199156  0.59610037  0.57879804
   0.84473652  0.70418728  0.78782486
   0.58953057  0.79840858  0.42818469
   0.87625806  0.94452835  0.85164543
   0.92920006  0.88556952  0.66215301
   0.68126155  0.89651256  0.73353637
   0.78514897  0.62852759  0.97626855
   0.55072584  0.61569705  0.90453287
   0.67028792  0.82711448  0.58701641
   0.62224444  0.88825251  0.44236358
   0.88482622  0.18080403  0.11531918
   0.76659050  0.40277921  0.33972548
   0.28352774  0.09709279  0.64125065
   0.28158448  0.70637432  0.75258017
   0.02090227  1.09285481  0.14110784
   0.19631429  1.00174588 -0.00222608
   0.64702800  0.38545205  0.86665216
   0.86617237  0.44829236  0.61696142
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875706    0.182553   -0.100853
    -0.000000    9.797766   -0.202088
    -0.000000    0.000000   13.909868
   Si   O    H 
    32    64    10
Direct configuration=   553
   0.16084999  0.14229736 -0.02982141
   0.40749788  0.07970541  0.38231718
   0.13413947  0.38390850  0.11707142
   0.39022613  0.33629832  0.25334389
   0.15403138  0.15988174  0.49593733
   0.40308349  0.12324235  0.85857522
   0.11528240  0.43277423  0.61608079
   0.33928176  0.38056865  0.75661423
   0.13880851  0.65648444  0.00581630
   0.40641360  0.58046691  0.36562970
   0.07787555  0.88824311  0.14828800
   0.34513047  0.81956595  0.25542165
   0.15751694  0.66969740  0.47934142
   0.38199820  0.60039341  0.88055795
   0.06916212  0.91170205  0.60265675
   0.31025075  0.97745525  0.69557771
   0.63771141  0.15342598  1.00559868
   0.88699938  0.10445820  0.37914955
   0.63767584  0.41989293  0.12919814
   0.88902926  0.29053061  0.19863832
   0.64456250  0.18511607  0.51047666
   0.88137839  0.10911736  0.87612461
   0.58382104  0.44224980  0.61751341
   0.76539825  0.37100141  0.79222139
   0.62912678  0.67102112 -0.00244967
   0.89050758  0.57847947  0.37842771
   0.56775131  0.90840363  0.13079197
   0.82480025  0.83827877  0.25728643
   0.64768041  0.65349330  0.46738683
   0.88019289  0.61776224  0.88184609
   0.60515230  0.94079255  0.64036110
   0.83342004  0.85859498  0.75485628
   0.10120318  0.04934516  0.14445823
   0.37499674  0.17871815  0.28911367
   0.10313274  0.27006111  0.03843609
   0.36423453  0.42142986  0.35202881
   0.54353099  0.37309573  0.21752154
   0.27668694  0.36649609  0.17050088
   0.29592548  0.09321158  0.46600360
   0.04369554  0.15380991  0.39684247
   0.06932592  0.06764530  0.56937064
   0.40570912  0.22031707  0.75648414
   0.15389071  0.30948443  0.53854945
   0.35095711  0.43971677  0.86544694
   0.44379513  0.44397896  0.67990664
   0.18132421  0.41642711  0.72764456
   0.30646582  0.19124140 -0.06121565
   0.03613951  0.14821099  0.88895927
   0.10352456  0.54190000  0.09254970
   0.38591399  0.66499619  0.27123323
   0.10793891  0.81111793  0.04635252
   0.39315625  0.92960148  0.34080491
   0.41855886  0.87275467  0.15373136
   0.18197171  0.83879724  0.23586479
   0.31088741  0.67392807  0.44326396
   0.04738859  0.60435459  0.40411891
   0.16166538  0.57911136  0.58181024
   0.36728197  0.67814615  0.77951823
   0.10210055  0.82058499  0.51048504
   0.34628405  0.98029436  0.81051294
   0.44372757  0.90034197  0.63645675
   0.18213746  0.86970309  0.68070699
   0.29937406  0.64744927 -0.01490970
   0.03614879  0.63069919  0.91823586
   0.60505731  0.07051685  0.10179513
   0.83347542  0.19076929  0.28689947
   0.60659003  0.31216607  0.03732048
   0.85341529  0.42239872  0.37165701
   0.04444085  0.35488176  0.21521322
   0.79516658  0.42273287  0.16135977
   0.80017746  0.16514104  0.47121825
   0.56302963  0.10409129  0.42301284
   0.63826125  0.09945573  0.61242995
   0.81511190  0.20508331  0.79064741
   0.58176552  0.33325534  0.52691211
   0.88610954  0.46185809  0.82657308
   0.94966459  0.42499761  0.61322141
   0.71372838  0.40241090  0.68524407
   0.79309526  0.14571902  0.96999977
   0.55002711  0.11478920  0.91153592
   0.58133632  0.57762662  0.09591137
   0.86660680  0.68033843  0.28661090
   0.62108485  0.82582754  0.02926910
   0.84813169  0.94253280  0.35132448
   0.92312205  0.88279655  0.17449216
   0.66984412  0.86923220  0.21598228
   0.80734191  0.64895391  0.46597604
   0.57077422  0.55105316  0.39864368
   0.62135134  0.59560161  0.57829289
   0.84524323  0.70581970  0.78877639
   0.59063553  0.79839715  0.42814905
   0.87720704  0.94384044  0.85128855
   0.92938844  0.88610153  0.66273446
   0.68415523  0.89517727  0.73392759
   0.78618253  0.62545138  0.97687277
   0.54892965  0.61612778  0.90464275
   0.66610217  0.82416357  0.58565018
   0.62655538  0.88611076  0.44800508
   0.88904805  0.18507864  0.12457959
   0.76670594  0.39997980  0.34323429
   0.27822345  0.10590092  0.63875826
   0.27930718  0.70318508  0.75339958
   0.01472754  1.09266081  0.14266562
   0.18189019  0.99971334  0.00083687
   0.64821704  0.38609789  0.86714759
   0.85072940  0.46059969  0.62157895
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876088    0.181816   -0.100726
    -0.000000    9.797822   -0.199026
    -0.000000    0.000000   13.910419
   Si   O    H 
    32    64    10
Direct configuration=   554
   0.15936607  0.14226794 -0.02919147
   0.40702241  0.07957189  0.38154177
   0.13364966  0.38397930  0.11793106
   0.39055194  0.33778759  0.25283106
   0.15343045  0.15955879  0.49653122
   0.40151868  0.12404688  0.85925112
   0.11753379  0.43129773  0.61589697
   0.33884203  0.38102971  0.75664937
   0.13898350  0.65553680  0.00529680
   0.40709438  0.57999124  0.36568173
   0.07875429  0.88968690  0.14861901
   0.34497619  0.82074505  0.25549153
   0.15689513  0.67093220  0.47963739
   0.38094350  0.60141633  0.88033863
   0.06829909  0.91216838  0.60342575
   0.31022580  0.97719839  0.69661560
   0.63791069  0.15370061  1.00576644
   0.88704687  0.10622265  0.37979786
   0.63645585  0.42047370  0.12885809
   0.88857151  0.29221046  0.19881127
   0.64518394  0.18485604  0.50947066
   0.88087381  0.11014221  0.87548479
   0.58507996  0.44101676  0.61804268
   0.76477297  0.37015472  0.79246672
   0.62823122  0.66956201 -0.00205156
   0.89219106  0.57868406  0.37794588
   0.56842350  0.90811248  0.12986405
   0.82347741  0.83884975  0.25748864
   0.64738389  0.65392614  0.46707159
   0.88135327  0.61789350  0.88212556
   0.60477440  0.94125444  0.64041514
   0.83456308  0.85841466  0.75451672
   0.10148693  0.04998503  0.14315747
   0.37498229  0.17962150  0.28841362
   0.10290838  0.27157059  0.03650969
   0.36392122  0.42224602  0.35239809
   0.54257577  0.37359769  0.21906321
   0.27649570  0.36571376  0.17043202
   0.29667259  0.09239233  0.46543009
   0.04404551  0.15254554  0.39769993
   0.06852523  0.06771205  0.56906673
   0.40468840  0.21958410  0.75681755
   0.15356871  0.31037502  0.53836747
   0.34969289  0.44122490  0.86490867
   0.44412477  0.44374849  0.68003546
   0.18049769  0.41453273  0.72686523
   0.30649717  0.19278740 -0.06121649
   0.03653835  0.14988376  0.89054158
   0.10191170  0.54086399  0.09103186
   0.38773250  0.66365341  0.27124364
   0.10708968  0.81011242  0.04603252
   0.39308089  0.92777577  0.33970354
   0.41746244  0.87343479  0.15458768
   0.18087861  0.83792066  0.23629183
   0.31109243  0.67377839  0.44383519
   0.04735650  0.60509182  0.40505031
   0.16071304  0.57821282  0.58177255
   0.36753221  0.68036017  0.78086280
   0.10371435  0.82067936  0.51079350
   0.34560857  0.97943187  0.81138063
   0.44277270  0.89966224  0.63502648
   0.18343605  0.86804405  0.68086233
   0.29901311  0.64939088 -0.01651576
   0.03573487  0.63070624  0.91939544
   0.60306425  0.07030822  0.10205606
   0.83303610  0.19218420  0.28670495
   0.60613932  0.31335201  0.03629270
   0.85490289  0.42183096  0.37144649
   0.04439526  0.35423955  0.21531918
   0.79294333  0.42298808  0.16134056
   0.80122955  0.16553576  0.47037588
   0.56451244  0.10400181  0.42368846
   0.63837433  0.09842358  0.61151573
   0.81492498  0.20544608  0.79083357
   0.58198785  0.33204771  0.52619048
   0.88504871  0.46220921  0.82581550
   0.95050744  0.42381419  0.61213332
   0.71394143  0.40304615  0.68501172
   0.79494571  0.14674563  0.97027082
   0.55067724  0.11513293  0.91101699
   0.57929701  0.57685889  0.09423887
   0.86682078  0.68337546  0.28624826
   0.62043987  0.82773706  0.03002458
   0.84891599  0.94316829  0.35230265
   0.92366307  0.88064442  0.17440335
   0.67033784  0.86925370  0.21694034
   0.80641156  0.64864252  0.46670590
   0.57124966  0.55272864  0.39993873
   0.62095675  0.59499819  0.57759197
   0.84547727  0.70740863  0.78980973
   0.59151171  0.79841975  0.42802114
   0.87841834  0.94288991  0.85091996
   0.92935694  0.88614179  0.66409472
   0.68573827  0.89476334  0.73456649
   0.78739121  0.62330679  0.97708281
   0.54584852  0.61632036  0.90460207
   0.66359770  0.82418477  0.58292945
   0.63050923  0.88519325  0.45432353
   0.89383136  0.18812996  0.13323678
   0.76648633  0.39893441  0.34672749
   0.27478675  0.10862902  0.64059888
   0.27799685  0.69928386  0.75250808
   0.00015313  1.09655293  0.14529340
   0.16417137  1.00400179 -0.00023665
   0.65054215  0.38870222  0.86365099
   0.84596481  0.46808470  0.62531482
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876355    0.181135   -0.100697
    -0.000000    9.797899   -0.196116
    -0.000000    0.000000   13.911379
   Si   O    H 
    32    64    10
Direct configuration=   555
   0.15772872  0.14293049 -0.02877370
   0.40670904  0.07938844  0.38079329
   0.13293181  0.38442368  0.11887374
   0.39086482  0.33909651  0.25230051
   0.15232384  0.15940511  0.49728938
   0.40048516  0.12468877  0.85979835
   0.11916814  0.42967419  0.61595835
   0.33848805  0.38111373  0.75620849
   0.13908362  0.65420452  0.00490180
   0.40801558  0.57923952  0.36566893
   0.07981923  0.89073487  0.14905953
   0.34473973  0.82128230  0.25592518
   0.15611231  0.67173633  0.48024393
   0.38054911  0.60243011  0.88012122
   0.06720365  0.91222435  0.60400989
   0.30988352  0.97741276  0.69696345
   0.63826001  0.15451418  1.00581246
   0.88698465  0.10804358  0.38027451
   0.63474387  0.42046495  0.12821619
   0.88818375  0.29447351  0.19949253
   0.64571218  0.18443363  0.50874601
   0.88136913  0.10994719  0.87442514
   0.58620885  0.44068079  0.61897479
   0.76368189  0.36953633  0.79292506
   0.62731022  0.66797937 -0.00116224
   0.89420438  0.57980746  0.37807897
   0.56929039  0.90822075  0.12909561
   0.82203185  0.83943386  0.25774002
   0.64674361  0.65415100  0.46751239
   0.88203318  0.61739117  0.88196939
   0.60434838  0.94134764  0.64035412
   0.83627670  0.85852989  0.75466411
   0.10105846  0.05111506  0.14224181
   0.37507783  0.17979242  0.28771552
   0.10240202  0.27420137  0.03472362
   0.36360648  0.42277528  0.35270764
   0.54122957  0.37466137  0.22068721
   0.27622498  0.36394973  0.17068493
   0.29736823  0.09131292  0.46541925
   0.04441153  0.15150077  0.39869058
   0.06817369  0.06749978  0.56910874
   0.40330231  0.21933643  0.75690070
   0.15400567  0.31096840  0.53869792
   0.34908495  0.44221971  0.86429692
   0.44437888  0.44314522  0.67959513
   0.17979706  0.41217310  0.72539596
   0.30752617  0.19423074 -0.06084991
   0.03790598  0.15146216  0.89133892
   0.10124479  0.53982874  0.08943400
   0.38924943  0.66176606  0.27105246
   0.10626589  0.80834288  0.04555728
   0.39283608  0.92553954  0.33804187
   0.41629669  0.87433343  0.15565631
   0.18081307  0.83663384  0.23644585
   0.31176860  0.67320903  0.44469304
   0.04678175  0.60612782  0.40573944
   0.16006275  0.57859792  0.58158749
   0.36824822  0.68304653  0.78213259
   0.10473795  0.82104598  0.51079999
   0.34476900  0.97924175  0.81197482
   0.44137282  0.89958548  0.63417521
   0.18363483  0.86655516  0.68133239
   0.29894264  0.65071002 -0.01797149
   0.03537309  0.63006996  0.91921667
   0.60141298  0.07003792  0.10268493
   0.83273348  0.19346247  0.28646030
   0.60638907  0.31461733  0.03536410
   0.85628307  0.42134809  0.37191944
   0.04367949  0.35371350  0.21526643
   0.79069984  0.42248587  0.16171128
   0.80187462  0.16528248  0.46984140
   0.56437943  0.10333089  0.42449309
   0.63824272  0.09746746  0.61054453
   0.81583305  0.20533895  0.79073837
   0.58241992  0.33137878  0.52552026
   0.88432752  0.46338556  0.82499549
   0.95136640  0.42282428  0.61085930
   0.71361499  0.40344374  0.68452853
   0.79663388  0.14683029  0.97084809
   0.55111626  0.11478464  0.91054954
   0.57714004  0.57638805  0.09197343
   0.86686849  0.68573243  0.28525302
   0.61969638  0.82956119  0.03067234
   0.84942364  0.94446928  0.35297526
   0.92335747  0.87862675  0.17453162
   0.67064029  0.86962447  0.21771841
   0.80575213  0.64813656  0.46748608
   0.57102928  0.55385431  0.40098727
   0.62088862  0.59389971  0.57717240
   0.84491016  0.70785993  0.79095566
   0.59182063  0.79915168  0.42799625
   0.87828415  0.94226828  0.84991953
   0.92954607  0.88642374  0.66491881
   0.68574026  0.89581863  0.73486046
   0.78813629  0.62051137  0.97709619
   0.54220106  0.61657984  0.90388218
   0.66111320  0.82532442  0.58065153
   0.63181906  0.88230105  0.45746868
   0.90026507  0.18641157  0.13270298
   0.76387728  0.39501009  0.35140299
   0.27427897  0.10609638  0.64578554
   0.27873677  0.69566742  0.75271668
  -0.00268236  1.10109047  0.14538440
   0.15188066  1.00795957  0.00129772
   0.65601673  0.39208571  0.85914603
   0.85911964  0.46996366  0.62665382
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876864    0.180432   -0.100571
    -0.000000    9.798149   -0.193182
    -0.000000    0.000000   13.912383
   Si   O    H 
    32    64    10
Direct configuration=   556
   0.15678046  0.14440878 -0.02861373
   0.40652606  0.07943227  0.37994628
   0.13201957  0.38517366  0.11925054
   0.39144150  0.33971037  0.25190027
   0.15119181  0.15909675  0.49786660
   0.39991267  0.12529548  0.86011961
   0.12007197  0.42823435  0.61595928
   0.33814388  0.38080775  0.75574577
   0.13909910  0.65299710  0.00458090
   0.40916856  0.57871403  0.36590389
   0.08064000  0.89174796  0.14946763
   0.34449132  0.82200983  0.25616986
   0.15571384  0.67246085  0.48089066
   0.38003073  0.60335783  0.88037303
   0.06569893  0.91217762  0.60455988
   0.30889127  0.97776544  0.69729025
   0.63855135  0.15547596  1.00605997
   0.88691412  0.10950190  0.38051969
   0.63324251  0.42032359  0.12726365
   0.88808262  0.29635536  0.20056237
   0.64662935  0.18381789  0.50771851
   0.88203918  0.10930262  0.87324355
   0.58703901  0.44065777  0.61952156
   0.76248952  0.36900098  0.79375352
   0.62653251  0.66710947 -0.00034511
   0.89575994  0.58133927  0.37791673
   0.57036775  0.90815562  0.12842087
   0.82062553  0.84033019  0.25824391
   0.64615361  0.65418699  0.46808689
   0.88340001  0.61663184  0.88205153
   0.60359897  0.94055863  0.64013289
   0.83801710  0.85880779  0.75471621
   0.10036840  0.05223034  0.14120397
   0.37518176  0.18089675  0.28699334
   0.10229981  0.27713792  0.03364350
   0.36266266  0.42372121  0.35264189
   0.54083911  0.37587239  0.22180079
   0.27661380  0.36178389  0.17101700
   0.29813637  0.09045980  0.46582237
   0.04524022  0.15061834  0.40025763
   0.06764372  0.06781506  0.56966789
   0.40172183  0.21876259  0.75710761
   0.15456481  0.31094512  0.53886818
   0.34880826  0.44301812  0.86418294
   0.44450762  0.44234745  0.67907181
   0.17953535  0.41114241  0.72431120
   0.30859078  0.19524006 -0.06000810
   0.03952380  0.15320724  0.89196490
   0.10066904  0.53944548  0.08828841
   0.38981665  0.65949777  0.27067031
   0.10546475  0.80776949  0.04599647
   0.39330359  0.92337115  0.33682872
   0.41514748  0.87518706  0.15654147
   0.18057982  0.83483961  0.23653174
   0.31267821  0.67274919  0.44516764
   0.04755480  0.60632145  0.40609793
   0.15946253  0.57884057  0.58147356
   0.36858917  0.68636806  0.78294855
   0.10492453  0.82131320  0.51131025
   0.34419343  0.97985542  0.81254065
   0.44025230  0.90007876  0.63380665
   0.18379284  0.86643006  0.68175725
   0.29889264  0.65258464 -0.01964391
   0.03492631  0.62947611  0.91883898
   0.59947650  0.06981363  0.10324963
   0.83287360  0.19474063  0.28605513
   0.60632713  0.31526389  0.03474608
   0.85687437  0.42147645  0.37240492
   0.04212856  0.35323403  0.21500349
   0.78871771  0.42238631  0.16235681
   0.80184034  0.16461031  0.46950686
   0.56353445  0.10257056  0.42501397
   0.63791835  0.09614735  0.60997013
   0.81625593  0.20581488  0.79073734
   0.58280856  0.33151815  0.52430495
   0.88400601  0.46468110  0.82487943
   0.95128560  0.42204542  0.60955508
   0.71247420  0.40377973  0.68406021
   0.79758250  0.14682895  0.97124237
   0.55059224  0.11400064  0.91007292
   0.57526720  0.57665151  0.09022290
   0.86780529  0.68723466  0.28448367
   0.61890973  0.83122412  0.03097760
   0.84932789  0.94573214  0.35367321
   0.92344545  0.87723183  0.17417668
   0.67048292  0.87057454  0.21865121
   0.80553762  0.64845967  0.46779837
   0.57073137  0.55533435  0.40160266
   0.62023034  0.59299261  0.57723560
   0.84455235  0.70759682  0.79185995
   0.59158868  0.80027124  0.42834128
   0.87864158  0.94229615  0.84865169
   0.93023885  0.88631865  0.66497217
   0.68472066  0.89702037  0.73537906
   0.78915810  0.61739881  0.97714974
   0.53889238  0.61748633  0.90361579
   0.65652308  0.83304630  0.57904035
   0.63278480  0.87629613  0.46085663
   0.90583908  0.18091200  0.12782653
   0.76587335  0.38859607  0.35527301
   0.27418060  0.10179797  0.65495758
   0.27771498  0.69506050  0.75157434
   0.00911587  1.10054127  0.14522199
   0.14651081  1.01085787  0.00342977
   0.65933582  0.39493429  0.85415498
   0.87909985  0.46633844  0.62538677
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877812    0.179549   -0.100963
    -0.000000    9.798478   -0.190435
    -0.000000    0.000000   13.913012
   Si   O    H 
    32    64    10
Direct configuration=   557
   0.15548514  0.14581021 -0.02867137
   0.40662381  0.08007648  0.37884662
   0.13092450  0.38605211  0.11970321
   0.39105457  0.33974289  0.25126838
   0.14968286  0.15910033  0.49859823
   0.39886803  0.12546735  0.85998863
   0.12010733  0.42718095  0.61604030
   0.33819583  0.38045768  0.75540982
   0.13949086  0.65183756  0.00424046
   0.41051328  0.57864908  0.36584664
   0.08154900  0.89264062  0.14960034
   0.34423615  0.82208809  0.25571022
   0.15546363  0.67216523  0.48169774
   0.37895054  0.60444925  0.88080445
   0.06421926  0.91226621  0.60561254
   0.30822977  0.97733670  0.69749089
   0.63916568  0.15636453  1.00594830
   0.88725369  0.11034627  0.38023283
   0.63165547  0.42029956  0.12618833
   0.88748036  0.29761933  0.20192722
   0.64710621  0.18267831  0.50687902
   0.88247487  0.10886912  0.87201737
   0.58761845  0.44097773  0.61931108
   0.76215998  0.36827015  0.79456763
   0.62579889  0.66653558  0.00043184
   0.89638853  0.58311569  0.37760765
   0.57140666  0.90868107  0.12761093
   0.82002506  0.84152354  0.25848776
   0.64599225  0.65425065  0.46885391
   0.88483222  0.61531810  0.88202856
   0.60319298  0.94011155  0.63999686
   0.83944309  0.85868234  0.75442414
   0.09948691  0.05393210  0.14022880
   0.37550971  0.18217298  0.28572507
   0.10284366  0.28031025  0.03293128
   0.36291425  0.42474301  0.35217194
   0.54120997  0.37743480  0.22248970
   0.27775535  0.36033876  0.17102179
   0.29875767  0.08927615  0.46580670
   0.04563205  0.14973916  0.40198985
   0.06720530  0.06740653  0.57067909
   0.40122716  0.21815303  0.75715853
   0.15564125  0.31114455  0.53939302
   0.34807297  0.44333878  0.86448441
   0.44479586  0.44190984  0.67885767
   0.17970953  0.40972619  0.72367633
   0.30873195  0.19613825 -0.05923709
   0.03996746  0.15467687  0.89194114
   0.10071567  0.53951281  0.08689025
   0.38992164  0.65792759  0.27036356
   0.10440660  0.80749870  0.04638395
   0.39349919  0.92134166  0.33597170
   0.41400631  0.87566886  0.15699467
   0.18094059  0.83364641  0.23672067
   0.31359535  0.67259968  0.44552578
   0.04884553  0.60734330  0.40594203
   0.15946159  0.57923161  0.58123676
   0.36844878  0.68913711  0.78336511
   0.10577166  0.82125733  0.51146488
   0.34340068  0.98104478  0.81285360
   0.43901928  0.90131712  0.63356135
   0.18355899  0.86593015  0.68225083
   0.29849571  0.65430778 -0.02091639
   0.03416431  0.62938160  0.91775264
   0.59795244  0.06911568  0.10377788
   0.83191917  0.19637238  0.28531489
   0.60634240  0.31562526  0.03399148
   0.85801620  0.42242400  0.37235973
   0.03979363  0.35313975  0.21419902
   0.78743911  0.42197947  0.16317459
   0.80166861  0.16376773  0.46984010
   0.56229164  0.10160577  0.42522492
   0.63830727  0.09461030  0.60953478
   0.81608542  0.20707767  0.79076814
   0.58345324  0.33159104  0.52399321
   0.88344020  0.46586191  0.82483929
   0.95357249  0.42014865  0.60841504
   0.71175573  0.40392004  0.68418971
   0.79812147  0.14639837  0.97154840
   0.54961330  0.11438749  0.90977899
   0.57432324  0.57647449  0.08917651
   0.86787750  0.68836707  0.28430556
   0.61880715  0.83182534  0.03067114
   0.84989861  0.94735203  0.35428224
   0.92349911  0.87480965  0.17406504
   0.67023705  0.87099889  0.21983685
   0.80612493  0.64848973  0.46808406
   0.56935731  0.55653298  0.40156701
   0.61877373  0.59272363  0.57722417
   0.84487700  0.70607912  0.79274854
   0.59023224  0.80078537  0.42827873
   0.87975514  0.94236035  0.84779705
   0.93121166  0.88646529  0.66448574
   0.68363653  0.89831342  0.73538764
   0.79008298  0.61456363  0.97707866
   0.53552651  0.61885915  0.90361877
   0.65204905  0.84330576  0.57493382
   0.63718877  0.87122312  0.46527926
   0.90801134  0.18034460  0.12376948
   0.77154818  0.38537906  0.35923644
   0.27534282  0.10256179  0.66222754
   0.27948728  0.69608213  0.75128734
   0.02263192  1.10009889  0.14391499
   0.14521711  1.00902608  0.00587819
   0.65460204  0.39941581  0.85521328
   0.87328934  0.47604093  0.63012679
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878879    0.178625   -0.101413
    -0.000000    9.798433   -0.187776
    -0.000000    0.000000   13.914061
   Si   O    H 
    32    64    10
Direct configuration=   558
   0.15452270  0.14692159 -0.02899888
   0.40671002  0.08063337  0.37729002
   0.12980551  0.38668153  0.12014170
   0.39065946  0.33936722  0.25082814
   0.14816156  0.15904051  0.49910722
   0.39805561  0.12610286  0.85977351
   0.12034003  0.42692135  0.61628696
   0.33769706  0.37975202  0.75481142
   0.14010684  0.65097395  0.00392917
   0.41161281  0.57859040  0.36624053
   0.08196035  0.89298924  0.14950486
   0.34379421  0.82224860  0.25551020
   0.15507137  0.67172033  0.48266710
   0.37827635  0.60515773  0.88112899
   0.06272126  0.91183562  0.60667102
   0.30798532  0.97696051  0.69761652
   0.63931996  0.15748362  1.00559088
   0.88768919  0.11016789  0.37981925
   0.62985188  0.42040406  0.12519039
   0.88690288  0.29852494  0.20299881
   0.64824000  0.18131795  0.50635255
   0.88289895  0.10826525  0.87124582
   0.58804763  0.44104784  0.61901355
   0.76205650  0.36682658  0.79504167
   0.62494662  0.66597812  0.00063570
   0.89716265  0.58561279  0.37746167
   0.57223387  0.90911980  0.12704187
   0.81942994  0.84237961  0.25925967
   0.64532513  0.65458251  0.47017362
   0.88534328  0.61349237  0.88201537
   0.60225206  0.93999927  0.63959475
   0.84138514  0.85790065  0.75475429
   0.10048126  0.05549182  0.14005217
   0.37642786  0.18276244  0.28433558
   0.10334311  0.28276245  0.03309856
   0.36329666  0.42552669  0.35205114
   0.54103507  0.37968720  0.22342707
   0.27792968  0.35980963  0.17042002
   0.29910984  0.08851361  0.46627493
   0.04616958  0.15012961  0.40342027
   0.06664186  0.06642662  0.57166790
   0.40069383  0.21785445  0.75781468
   0.15705984  0.31217008  0.53950193
   0.34717496  0.44335526  0.86440497
   0.44451948  0.44185762  0.67797922
   0.18066211  0.40900902  0.72295094
   0.30956821  0.19708751 -0.05821992
   0.03982930  0.15616406  0.89119510
   0.10168578  0.53981238  0.08541717
   0.38979417  0.65761566  0.26987747
   0.10337594  0.80734806  0.04684077
   0.39411049  0.92027119  0.33583726
   0.41399141  0.87589159  0.15736104
   0.18140553  0.83276689  0.23640670
   0.31489959  0.67220798  0.44603294
   0.04984090  0.60751946  0.40573924
   0.15974183  0.58007080  0.58167768
   0.36741325  0.69160874  0.78347699
   0.10652155  0.82160062  0.51168211
   0.34316575  0.98211034  0.81321564
   0.43801469  0.90335187  0.63412346
   0.18316802  0.86584713  0.68325909
   0.29792408  0.65529283 -0.02224488
   0.03501719  0.62901632  0.91676666
   0.59596051  0.06924098  0.10428647
   0.83176378  0.19708386  0.28500118
   0.60599907  0.31664982  0.03349579
   0.85985685  0.42387099  0.37288944
   0.03806099  0.35349529  0.21345736
   0.78672044  0.42180239  0.16380730
   0.80138897  0.16365124  0.46992892
   0.56142210  0.10039588  0.42547772
   0.63825837  0.09262035  0.60851108
   0.81601492  0.20781178  0.79106284
   0.58412270  0.33196444  0.52362393
   0.88351341  0.46712148  0.82470771
   0.95508146  0.41934644  0.60772191
   0.71083067  0.40336052  0.68494844
   0.79816964  0.14616884  0.97182245
   0.54824796  0.11451843  0.90988920
   0.57261086  0.57592852  0.08834926
   0.86733199  0.68925503  0.28462884
   0.61903790  0.83183737  0.03026365
   0.85009549  0.94899223  0.35496803
   0.92327939  0.87218933  0.17348537
   0.66940238  0.87117068  0.22107564
   0.80625295  0.64838273  0.46836462
   0.56701734  0.55657467  0.40067628
   0.61710406  0.59375263  0.57757240
   0.84505576  0.70430710  0.79307989
   0.58967084  0.80198664  0.42840853
   0.88149279  0.94294086  0.84725643
   0.93208073  0.88702298  0.66454371
   0.68216268  0.89972790  0.73553002
   0.79011072  0.61186961  0.97703106
   0.53320318  0.62048255  0.90448102
   0.64941555  0.84922801  0.56918252
   0.64013574  0.86556427  0.46761717
   0.90631412  0.18870824  0.12370270
   0.77118470  0.38162863  0.36080165
   0.27182787  0.11046443  0.66451486
   0.28334007  0.69631239  0.75099069
   0.01166537  1.11447785  0.14580633
   0.15226525  1.00604428  0.00363408
   0.64149925  0.40201232  0.86016716
   0.87088012  0.48045804  0.63479291
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879793    0.178178   -0.101899
    -0.000000    9.798492   -0.184702
    -0.000000    0.000000   13.915062
   Si   O    H 
    32    64    10
Direct configuration=   559
   0.15362792  0.14793222 -0.02895376
   0.40663728  0.08129209  0.37574353
   0.12875735  0.38704455  0.12052148
   0.39013161  0.33865608  0.25031601
   0.14679718  0.15859258  0.49916410
   0.39741203  0.12657359  0.85958298
   0.12023806  0.42684073  0.61602360
   0.33721883  0.37857915  0.75452087
   0.14030131  0.65041925  0.00338833
   0.41267734  0.57866585  0.36663515
   0.08239851  0.89365409  0.14952371
   0.34355603  0.82197464  0.25532894
   0.15525460  0.67085585  0.48370793
   0.37725780  0.60597195  0.88159508
   0.06192532  0.91167715  0.60781169
   0.30799439  0.97621327  0.69789069
   0.63913757  0.15859412  1.00507280
   0.88782578  0.10929874  0.37980544
   0.62817032  0.42098872  0.12399708
   0.88609340  0.29856754  0.20399838
   0.64945093  0.18012419  0.50605921
   0.88301419  0.10758451  0.87060443
   0.58777507  0.44030719  0.61864677
   0.76190962  0.36525403  0.79569710
   0.62492539  0.66627442  0.00010462
   0.89642321  0.58843686  0.37696220
   0.57285963  0.90926678  0.12721903
   0.81932035  0.84360185  0.26021766
   0.64441801  0.65438910  0.47132032
   0.88531727  0.61149087  0.88204460
   0.60109813  0.93926584  0.63901839
   0.84284785  0.85711340  0.75499853
   0.10151985  0.05703866  0.13949146
   0.37744533  0.18391702  0.28337408
   0.10461088  0.28523033  0.03367004
   0.36322121  0.42547651  0.35191919
   0.54136110  0.38141808  0.22377362
   0.27809540  0.36011434  0.16984602
   0.29967585  0.08898717  0.46660003
   0.04646204  0.15001337  0.40465258
   0.06599908  0.06608774  0.57250029
   0.40066570  0.21729086  0.75899133
   0.15880720  0.31270056  0.53913173
   0.34550226  0.44338271  0.86345592
   0.44439670  0.44123803  0.67708883
   0.18266793  0.40806029  0.72283666
   0.30956549  0.19793903 -0.05763272
   0.03968193  0.15750688  0.88938672
   0.10276727  0.54067687  0.08424322
   0.38977979  0.65741099  0.26892027
   0.10289708  0.80741260  0.04732799
   0.39439804  0.92013246  0.33583609
   0.41407839  0.87552785  0.15707723
   0.18083810  0.83266868  0.23594893
   0.31667256  0.67146591  0.44675180
   0.05122474  0.60743146  0.40547191
   0.15961934  0.58102773  0.58205227
   0.36654136  0.69412753  0.78369366
   0.10714875  0.82180693  0.51167476
   0.34281057  0.98317848  0.81337148
   0.43718769  0.90518772  0.63488011
   0.18216705  0.86669150  0.68484880
   0.29791679  0.65635668 -0.02375603
   0.03578057  0.62929618  0.91574040
   0.59433874  0.06919373  0.10476602
   0.83293285  0.19787003  0.28526117
   0.60626137  0.31761136  0.03292157
   0.86170859  0.42602021  0.37357029
   0.03659337  0.35435167  0.21291788
   0.78613246  0.42093827  0.16406885
   0.80166518  0.16355035  0.47006103
   0.55968111  0.09946180  0.42561707
   0.63819753  0.09098997  0.60723211
   0.81591434  0.20833557  0.79141184
   0.58537890  0.33252334  0.52360834
   0.88368067  0.46703317  0.82453717
   0.95667556  0.41919875  0.60775561
   0.71046938  0.40168490  0.68566585
   0.79841669  0.14575481  0.97203203
   0.54768678  0.11499088  0.90988283
   0.57155188  0.57500902  0.08754389
   0.86672597  0.68983052  0.28519061
   0.61907259  0.83161906  0.02959188
   0.85004647  0.95106669  0.35562553
   0.92353256  0.86935085  0.17338351
   0.66863910  0.87082395  0.22214077
   0.80713218  0.64836977  0.46825151
   0.56417760  0.55623982  0.39995576
   0.61477384  0.59461713  0.57816128
   0.84601211  0.70320707  0.79355447
   0.58924062  0.80267332  0.42783012
   0.88279986  0.94418459  0.84700676
   0.93259946  0.88725848  0.66494731
   0.68101771  0.90118913  0.73570732
   0.78979451  0.60989424  0.97579739
   0.53189650  0.62269338  0.90535693
   0.65013774  0.84762351  0.56310082
   0.64281620  0.86407914  0.47098852
   0.89773323  0.19960151  0.12442135
   0.77234418  0.37966045  0.36247373
   0.26599680  0.11974914  0.66365162
   0.28157263  0.69860527  0.74850016
   0.00727706  1.12389866  0.14562272
   0.16373292  1.00363826 -0.00017309
   0.63371340  0.40148149  0.86163886
   0.88094128  0.47462534  0.63585427
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880761    0.177889   -0.102395
    -0.000000    9.798406   -0.181150
    -0.000000    0.000000   13.915979
   Si   O    H 
    32    64    10
Direct configuration=   560
   0.15307650  0.14903259 -0.02895159
   0.40648947  0.08137709  0.37443896
   0.12745857  0.38724134  0.12092086
   0.39006220  0.33830225  0.25018152
   0.14593630  0.15795761  0.49875085
   0.39728830  0.12791142  0.85937893
   0.11983455  0.42725412  0.61576486
   0.33706705  0.37714364  0.75419031
   0.13995726  0.65034220  0.00300565
   0.41380322  0.57927406  0.36742155
   0.08306873  0.89398334  0.14892081
   0.34350339  0.82195084  0.25527012
   0.15666040  0.67004471  0.48443992
   0.37703555  0.60662081  0.88199210
   0.06144309  0.91158422  0.60838520
   0.30805350  0.97587826  0.69783748
   0.63857201  0.15969345  1.00463356
   0.88774208  0.10848603  0.37943142
   0.62600714  0.42149422  0.12269501
   0.88501421  0.29844293  0.20519821
   0.65013358  0.17837490  0.50546998
   0.88312583  0.10736502  0.86994922
   0.58699241  0.43946998  0.61812738
   0.76132432  0.36391636  0.79621822
   0.62545180  0.66617768 -0.00044335
   0.89602160  0.59123806  0.37650112
   0.57333241  0.90997852  0.12727725
   0.81922843  0.84425521  0.26167623
   0.64401225  0.65494337  0.47274135
   0.88489315  0.60961116  0.88214650
   0.60004333  0.93864300  0.63823055
   0.84343196  0.85650367  0.75545382
   0.10171415  0.05899344  0.13917619
   0.37807418  0.18443296  0.28308920
   0.10568665  0.28737622  0.03385294
   0.36383375  0.42569253  0.35200141
   0.54199689  0.38297035  0.22366190
   0.27833055  0.36027001  0.16887597
   0.29925226  0.09003379  0.46638230
   0.04581195  0.14906002  0.40558119
   0.06556861  0.06565460  0.57328519
   0.40065178  0.21694269  0.76063893
   0.16102871  0.31326860  0.53851349
   0.34377582  0.44355074  0.86242561
   0.44426182  0.44094483  0.67623218
   0.18508907  0.40732152  0.72273667
   0.30833807  0.19891549 -0.05670135
   0.03863246  0.15794896  0.88699626
   0.10327944  0.54112424  0.08286780
   0.38986407  0.65762038  0.26688305
   0.10291736  0.80755974  0.04773041
   0.39492038  0.91997616  0.33647105
   0.41424700  0.87504121  0.15655853
   0.18033608  0.83299203  0.23533714
   0.31772002  0.67050363  0.44781165
   0.05320178  0.60760379  0.40532254
   0.15984416  0.58213009  0.58220937
   0.36521772  0.69666804  0.78393291
   0.10666977  0.82223583  0.51167469
   0.34276609  0.98416321  0.81372412
   0.43633692  0.90777726  0.63602161
   0.18101485  0.86757333  0.68665047
   0.29822118  0.65637404 -0.02495845
   0.03724741  0.63032202  0.91496403
   0.59309599  0.06989159  0.10489995
   0.83403835  0.19758684  0.28577494
   0.60695083  0.31907624  0.03272576
   0.86321928  0.42812810  0.37416859
   0.03566945  0.35517646  0.21286746
   0.78579898  0.42011187  0.16466747
   0.80114693  0.16378785  0.47021384
   0.55795507  0.09944984  0.42574483
   0.63818868  0.08873736  0.60563695
   0.81594786  0.20895645  0.79154563
   0.58691609  0.33257367  0.52386274
   0.88410599  0.46711254  0.82517465
   0.95763274  0.42004934  0.60767895
   0.71033780  0.39997803  0.68720096
   0.79825401  0.14557721  0.97253252
   0.54728932  0.11525191  0.90964795
   0.57107506  0.57355856  0.08723030
   0.86565222  0.69053326  0.28562481
   0.61939763  0.83082842  0.02853768
   0.84985682  0.95327876  0.35603229
   0.92358793  0.86647792  0.17293682
   0.66760728  0.87019006  0.22284522
   0.80810382  0.64790378  0.46788919
   0.56247726  0.55624955  0.39920378
   0.61328546  0.59530123  0.57823899
   0.84765799  0.70279469  0.79419846
   0.58957366  0.80290804  0.42757064
   0.88440640  0.94567506  0.84725895
   0.93266111  0.88761680  0.66546555
   0.68009240  0.90213966  0.73616985
   0.78951600  0.60868085  0.97489503
   0.53171535  0.62543840  0.90655250
   0.65248798  0.84652561  0.55894218
   0.64472099  0.86529720  0.47044707
   0.88639625  0.20931679  0.12434045
   0.77605690  0.38227426  0.36194524
   0.26442791  0.12277856  0.66876362
   0.27963678  0.70442441  0.74466331
   0.01590290  1.12390901  0.14518015
   0.17432692  1.00565546 -0.00372916
   0.63465250  0.39729006  0.85814381
   0.89302123  0.46761560  0.63660575
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881825    0.177992   -0.102405
    -0.000000    9.798405   -0.177768
    -0.000000    0.000000   13.916618
   Si   O    H 
    32    64    10
Direct configuration=   561
   0.15275584  0.15039221 -0.02923185
   0.40624894  0.08122856  0.37339636
   0.12676834  0.38701657  0.12195558
   0.39033498  0.33868560  0.25048213
   0.14507235  0.15703351  0.49896488
   0.39671889  0.12844038  0.85908993
   0.11937068  0.42805281  0.61529651
   0.33719000  0.37608382  0.75401753
   0.13895149  0.65051022  0.00253662
   0.41486320  0.58046930  0.36778193
   0.08339722  0.89394024  0.14880849
   0.34359371  0.82161942  0.25479104
   0.15821383  0.66934332  0.48507713
   0.37735301  0.60741991  0.88212251
   0.06189297  0.91147813  0.60846980
   0.30798066  0.97576047  0.69792300
   0.63829048  0.16016105  1.00442534
   0.88785360  0.10830458  0.37923380
   0.62376585  0.42127747  0.12198986
   0.88413964  0.29946562  0.20647557
   0.65047662  0.17640494  0.50516084
   0.88368420  0.10731452  0.86967845
   0.58604132  0.43888973  0.61772246
   0.76073369  0.36280976  0.79709067
   0.62589451  0.66636605 -0.00129544
   0.89565955  0.59403805  0.37609962
   0.57365485  0.91048256  0.12690388
   0.81988791  0.84551793  0.26310957
   0.64379167  0.65503122  0.47371582
   0.88462169  0.60860835  0.88214956
   0.59895126  0.93756720  0.63756087
   0.84336875  0.85595026  0.75605239
   0.10100978  0.06079876  0.13871046
   0.37828145  0.18488450  0.28240813
   0.10686701  0.28858657  0.03422009
   0.36439573  0.42605785  0.35137935
   0.54296012  0.38425220  0.22265429
   0.27815462  0.36034728  0.16779345
   0.29832581  0.09143962  0.46662198
   0.04529436  0.14858308  0.40581902
   0.06503140  0.06493097  0.57358856
   0.40086505  0.21648332  0.76241104
   0.16317403  0.31251576  0.53786806
   0.34204251  0.44349492  0.86138024
   0.44339624  0.44006239  0.67611758
   0.18700164  0.40644487  0.72282013
   0.30638838  0.19934873 -0.05573541
   0.03771146  0.15785705  0.88438093
   0.10393034  0.54092742  0.08144554
   0.39065299  0.65821574  0.26483505
   0.10272929  0.80758280  0.04812638
   0.39561827  0.92083783  0.33710653
   0.41442303  0.87509557  0.15599434
   0.17936971  0.83386860  0.23486184
   0.31833942  0.66958531  0.44926681
   0.05574291  0.60728118  0.40494843
   0.15978636  0.58307193  0.58219601
   0.36317290  0.69951997  0.78395239
   0.10573336  0.82323968  0.51202190
   0.34365905  0.98526700  0.81466666
   0.43660691  0.91040771  0.63741937
   0.17963720  0.86889752  0.68847434
   0.29947738  0.65773861 -0.02643400
   0.03829122  0.63153658  0.91418126
   0.59227884  0.07092512  0.10466316
   0.83423087  0.19713349  0.28675184
   0.60791761  0.32033085  0.03241988
   0.86486509  0.42975118  0.37393582
   0.03453293  0.35534950  0.21297361
   0.78497031  0.41960957  0.16509727
   0.80078398  0.16375932  0.47104888
   0.55581474  0.10013174  0.42599071
   0.63913490  0.08665861  0.60347392
   0.81439364  0.20990679  0.79172838
   0.58886314  0.33325961  0.52417231
   0.88420635  0.46676122  0.82618074
   0.95965223  0.42014846  0.60803287
   0.71065433  0.39802541  0.68834828
   0.79718077  0.14569702  0.97313581
   0.54744761  0.11602944  0.90900524
   0.57083912  0.57246375  0.08668942
   0.86410357  0.69061694  0.28674591
   0.62025097  0.82890227  0.02762476
   0.85004204  0.95541685  0.35598282
   0.92338535  0.86459192  0.17278587
   0.66661794  0.87065979  0.22337890
   0.80923520  0.64722884  0.46760570
   0.56148280  0.55575164  0.39836155
   0.61136714  0.59633328  0.57809526
   0.84903229  0.70221894  0.79459143
   0.58990841  0.80320902  0.42677267
   0.88626567  0.94660435  0.84799989
   0.93168861  0.88831058  0.66566194
   0.68056852  0.90243108  0.73690563
   0.78904754  0.60751035  0.97411237
   0.53202419  0.62777698  0.90769857
   0.65701305  0.84231288  0.55629991
   0.64260497  0.86100956  0.46694544
   0.87703345  0.21612069  0.12283399
   0.77914582  0.39025330  0.35787525
   0.26586240  0.11882021  0.67233472
   0.28085193  0.70767060  0.74441362
   0.03220141  1.11544906  0.14503727
   0.18347153  1.00859638 -0.00707822
   0.64219117  0.39035276  0.85099217
   0.88883313  0.47421413  0.64724446
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882651    0.178252   -0.102763
    -0.000000    9.798785   -0.173891
    -0.000000    0.000000   13.917401
   Si   O    H 
    32    64    10
Direct configuration=   562
   0.15271202  0.15166795 -0.02979288
   0.40649852  0.08070903  0.37253105
   0.12627604  0.38726887  0.12267475
   0.39039441  0.33840073  0.25076857
   0.14479416  0.15621189  0.49892237
   0.39616019  0.12890260  0.85914841
   0.11904364  0.42948548  0.61425032
   0.33785400  0.37483828  0.75373960
   0.13744995  0.65113838  0.00210436
   0.41558337  0.58099430  0.36794589
   0.08299009  0.89411787  0.14852356
   0.34374537  0.82139959  0.25371867
   0.15994774  0.66823982  0.48579650
   0.37701118  0.60820353  0.88190316
   0.06255871  0.91154433  0.60839005
   0.30761024  0.97557558  0.69810053
   0.63769471  0.16077522  1.00430913
   0.88850442  0.10837653  0.37944653
   0.62119853  0.42140742  0.12177741
   0.88293656  0.30063434  0.20734124
   0.65030562  0.17397251  0.50479686
   0.88448593  0.10679476  0.86958471
   0.58456401  0.43837074  0.61745619
   0.76023327  0.36209976  0.79774640
   0.62659132  0.66553526 -0.00214405
   0.89527876  0.59724623  0.37562396
   0.57395682  0.91127955  0.12699882
   0.82033730  0.84682977  0.26430953
   0.64449712  0.65506390  0.47474838
   0.88438354  0.60771907  0.88200676
   0.59776713  0.93714818  0.63731927
   0.84345775  0.85530894  0.75697444
   0.10175814  0.06072103  0.13791903
   0.37808039  0.18497708  0.28220761
   0.10714026  0.28931787  0.03448340
   0.36524613  0.42639629  0.35080264
   0.54337492  0.38488524  0.22090042
   0.27926783  0.36009732  0.16687603
   0.29707675  0.09369769  0.46645526
   0.04538386  0.14848048  0.40603963
   0.06515186  0.06413820  0.57386737
   0.40052011  0.21721053  0.76396462
   0.16509064  0.31183348  0.53653285
   0.34121818  0.44439821  0.86061846
   0.44299375  0.44003281  0.67597759
   0.18734503  0.40540452  0.72244151
   0.30492140  0.19957452 -0.05539057
   0.03660214  0.15813197  0.88213697
   0.10428175  0.54119653  0.08052246
   0.39121906  0.65881311  0.26319832
   0.10261619  0.80750100  0.04829532
   0.39623947  0.92228596  0.33796605
   0.41421298  0.87494155  0.15467229
   0.17845274  0.83502839  0.23403046
   0.31947666  0.66948377  0.45026693
   0.05789926  0.60647825  0.40456114
   0.15942249  0.58460987  0.58223725
   0.36067742  0.70247993  0.78392268
   0.10503592  0.82422452  0.51249090
   0.34432622  0.98600814  0.81463466
   0.43684310  0.91248537  0.63834749
   0.17832317  0.86984454  0.69024099
   0.29998355  0.65856696 -0.02754932
   0.03991487  0.63172461  0.91344662
   0.59224973  0.07223479  0.10466739
   0.83479913  0.19637093  0.28774376
   0.60927386  0.32129460  0.03142637
   0.86633195  0.43115093  0.37297429
   0.03443289  0.35484144  0.21294813
   0.78393538  0.41874819  0.16571280
   0.80108489  0.16443473  0.47129859
   0.55452442  0.10018727  0.42586208
   0.64008433  0.08507644  0.60168203
   0.81240739  0.21063380  0.79197238
   0.59073663  0.33390627  0.52419218
   0.88486225  0.46523737  0.82720480
   0.96131554  0.42063162  0.60856973
   0.71132698  0.39675293  0.68909467
   0.79535692  0.14604726  0.97300164
   0.54820568  0.11564528  0.90835184
   0.57090309  0.57177923  0.08634391
   0.86198985  0.69068694  0.28817251
   0.62078982  0.82600856  0.02717032
   0.85038729  0.95666712  0.35519946
   0.92401497  0.86336294  0.17317456
   0.66542854  0.87110637  0.22405662
   0.80966063  0.64700251  0.46720136
   0.56158156  0.55556896  0.39782058
   0.60978877  0.59722684  0.57820038
   0.85088731  0.70270635  0.79448829
   0.59082449  0.80353995  0.42614012
   0.88819422  0.94748589  0.84916450
   0.93128207  0.88903451  0.66561548
   0.68084054  0.90170343  0.73713070
   0.78771012  0.60598615  0.97303225
   0.53358498  0.62934684  0.90899976
   0.65989870  0.83988704  0.56236397
   0.64477872  0.86531665  0.46229609
   0.87973429  0.21485382  0.12091909
   0.77672831  0.39427535  0.35466045
   0.26709263  0.11165800  0.67444034
   0.28292665  0.71126223  0.74596477
   0.02349485  1.12881740  0.14640948
   0.18986712  1.01195238 -0.01010842
   0.64722896  0.38306644  0.84735577
   0.88985372  0.47518287  0.65531125
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883530    0.178365   -0.103005
    -0.000000    9.799339   -0.170119
    -0.000000    0.000000   13.917977
   Si   O    H 
    32    64    10
Direct configuration=   563
   0.15253222  0.15272663 -0.03026954
   0.40698574  0.08041564  0.37180663
   0.12594543  0.38716071  0.12336527
   0.39026859  0.33838939  0.25136080
   0.14495701  0.15566011  0.49873508
   0.39604789  0.12894166  0.85955471
   0.11879256  0.43097004  0.61302536
   0.33864778  0.37382236  0.75340951
   0.13691706  0.65236488  0.00190290
   0.41559198  0.58116775  0.36763001
   0.08217909  0.89377043  0.14848148
   0.34310342  0.82123026  0.25246729
   0.16146560  0.66738911  0.48621255
   0.37691486  0.60864437  0.88139928
   0.06318044  0.91155176  0.60817222
   0.30725152  0.97546045  0.69833621
   0.63706656  0.16112982  1.00439507
   0.88937575  0.10920595  0.38031918
   0.61964694  0.42133633  0.12216121
   0.88177740  0.30160698  0.20783284
   0.64958404  0.17205503  0.50431794
   0.88499062  0.10625937  0.86993295
   0.58345586  0.43864464  0.61714659
   0.76048997  0.36157703  0.79815043
   0.62723156  0.66504056 -0.00295994
   0.89572094  0.59993520  0.37541840
   0.57450801  0.91137194  0.12730304
   0.82081204  0.84859417  0.26521022
   0.64542270  0.65487457  0.47557670
   0.88442882  0.60682132  0.88171508
   0.59658810  0.93667956  0.63679063
   0.84324326  0.85494426  0.75767410
   0.10275589  0.06129579  0.13755622
   0.37728413  0.18522611  0.28239725
   0.10710760  0.28961698  0.03475246
   0.36581257  0.42724645  0.35086035
   0.54331681  0.38535667  0.21947990
   0.28120516  0.36025604  0.16554617
   0.29574910  0.09635454  0.46622697
   0.04556470  0.14866930  0.40664059
   0.06494861  0.06430389  0.57443608
   0.40020180  0.21835249  0.76553301
   0.16781739  0.31167245  0.53472477
   0.34075291  0.44543747  0.85998029
   0.44181473  0.43979629  0.67549804
   0.18741462  0.40347516  0.72209667
   0.30339171  0.20034806 -0.05550706
   0.03567287  0.15818150  0.87954549
   0.10484093  0.54190576  0.07968504
   0.39120874  0.66013994  0.26163878
   0.10237857  0.80695628  0.04816273
   0.39655416  0.92434690  0.33896263
   0.41389199  0.87558910  0.15336496
   0.17746861  0.83585373  0.23298343
   0.31947037  0.66851849  0.45082160
   0.05991062  0.60580598  0.40424937
   0.15938004  0.58530226  0.58296553
   0.35894716  0.70583374  0.78436337
   0.10491053  0.82427292  0.51314743
   0.34423117  0.98622306  0.81462774
   0.43658806  0.91487375  0.63885828
   0.17747466  0.87087291  0.69184331
   0.29983658  0.65932534 -0.02883105
   0.04103168  0.63217847  0.91247974
   0.59171148  0.07383614  0.10374055
   0.83491751  0.19572299  0.28821272
   0.61008930  0.32094967  0.03032313
   0.86747121  0.43145470  0.37204139
   0.03456481  0.35444385  0.21322184
   0.78144185  0.41832752  0.16618421
   0.80205156  0.16555079  0.47153394
   0.55316285  0.09908352  0.42570554
   0.64079059  0.08389846  0.60002264
   0.81065109  0.20963191  0.79274039
   0.59259126  0.33393315  0.52435467
   0.88422125  0.46307034  0.82811105
   0.96191071  0.42152026  0.60954903
   0.71189383  0.39565764  0.68962642
   0.79385749  0.14529487  0.97286851
   0.54908253  0.11448074  0.90753004
   0.57143228  0.57163474  0.08620264
   0.85962277  0.69154703  0.28985885
   0.62093671  0.82237051  0.02700810
   0.85071631  0.95741892  0.35451677
   0.92427704  0.86239516  0.17377870
   0.66395088  0.87162235  0.22406497
   0.81006957  0.64700866  0.46748373
   0.56244458  0.55471050  0.39772841
   0.60901067  0.59835268  0.57811626
   0.85302795  0.70326856  0.79353213
   0.59111297  0.80256416  0.42581294
   0.89091436  0.94759652  0.85063779
   0.92997049  0.88973936  0.66520611
   0.68167624  0.90022479  0.73693802
   0.78594038  0.60515016  0.97193888
   0.53464246  0.63074086  0.91047254
   0.66297535  0.83793638  0.57006586
   0.64731284  0.87359836  0.46111018
   0.88693495  0.21102926  0.12009996
   0.77438485  0.39968281  0.35161264
   0.26403663  0.10659213  0.67362330
   0.27567592  0.71246578  0.74590098
   0.02133671  1.13334019  0.14676688
   0.19452821  1.00846703 -0.01165846
   0.64339321  0.37575524  0.85060415
   0.89626926  0.46714958  0.65747417
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884161    0.178150   -0.103002
    -0.000000    9.800324   -0.166282
    -0.000000    0.000000   13.918550
   Si   O    H 
    32    64    10
Direct configuration=   564
   0.15186322  0.15405133 -0.03052932
   0.40781077  0.08037337  0.37180353
   0.12554271  0.38753266  0.12432614
   0.39029255  0.33866782  0.25206939
   0.14534598  0.15515826  0.49823262
   0.39529745  0.12883453  0.86063024
   0.11819954  0.43205643  0.61191784
   0.34003026  0.37223115  0.75316018
   0.13642778  0.65360996  0.00171247
   0.41498485  0.58174098  0.36755289
   0.08160241  0.89330028  0.14849081
   0.34282072  0.82098551  0.25143429
   0.16202814  0.66720784  0.48660172
   0.37754141  0.60914299  0.88081679
   0.06412163  0.91136848  0.60791553
   0.30678932  0.97475025  0.69876210
   0.63602008  0.16045144  1.00415615
   0.88997631  0.10991794  0.38128166
   0.61928815  0.42171760  0.12260711
   0.88011629  0.30235190  0.20838927
   0.64897274  0.17113009  0.50387188
   0.88467929  0.10574149  0.86993007
   0.58271298  0.43865523  0.61694019
   0.76040406  0.36147793  0.79855529
   0.62858501  0.66424016 -0.00349385
   0.89675585  0.60223309  0.37571625
   0.57436664  0.91122422  0.12702966
   0.82140137  0.85005781  0.26589707
   0.64611322  0.65507600  0.47609870
   0.88483673  0.60610863  0.88181220
   0.59571003  0.93621024  0.63647358
   0.84266007  0.85438950  0.75855857
   0.10352381  0.06246661  0.13725590
   0.37673918  0.18489175  0.28273669
   0.10604318  0.29034967  0.03440537
   0.36612155  0.42769520  0.35044066
   0.54271643  0.38494018  0.21794725
   0.28316081  0.36118310  0.16376436
   0.29447469  0.09895111  0.46578190
   0.04551511  0.14864193  0.40712769
   0.06527554  0.06501040  0.57485147
   0.39996616  0.21995327  0.76724810
   0.17061359  0.31164842  0.53317668
   0.34010294  0.44683545  0.85933045
   0.44079943  0.43943657  0.67503580
   0.18669474  0.40122519  0.72118047
   0.30260374  0.20124969 -0.05586278
   0.03521723  0.15771245  0.87764668
   0.10527266  0.54199246  0.07951815
   0.39166880  0.66113186  0.26034256
   0.10235810  0.80652678  0.04875725
   0.39624301  0.92630917  0.33983089
   0.41396145  0.87617319  0.15188651
   0.17615462  0.83624987  0.23255753
   0.31979396  0.66721212  0.45131555
   0.06235773  0.60467677  0.40411694
   0.15962025  0.58506007  0.58394812
   0.35752897  0.70881157  0.78466009
   0.10511608  0.82374192  0.51335497
   0.34382604  0.98710953  0.81426199
   0.43618496  0.91614872  0.63949960
   0.17669612  0.87216658  0.69275798
   0.29790153  0.66043024 -0.03022047
   0.04228411  0.63290860  0.91127807
   0.59166487  0.07550852  0.10242005
   0.83510422  0.19491012  0.28826481
   0.61065684  0.32072543  0.02871230
   0.86859938  0.43197633  0.37127522
   0.03490405  0.35513708  0.21388032
   0.77843296  0.41793988  0.16589879
   0.80383179  0.16609903  0.47136537
   0.55191634  0.09824041  0.42521540
   0.64223232  0.08192414  0.59882066
   0.80908692  0.20818467  0.79313783
   0.59460837  0.33471132  0.52473892
   0.88378976  0.46026021  0.82917973
   0.96186029  0.42149993  0.61041436
   0.71189503  0.39400103  0.69035347
   0.79225724  0.14467081  0.97257158
   0.55050755  0.11388510  0.90634842
   0.57199225  0.57189916  0.08560239
   0.85780459  0.69279835  0.29115662
   0.62126861  0.82031640  0.02722171
   0.85083990  0.95732826  0.35411913
   0.92426522  0.86165700  0.17393111
   0.66279989  0.87140391  0.22433749
   0.80961636  0.64664851  0.46830519
   0.56349600  0.55376441  0.39779732
   0.60707579  0.59887519  0.57849124
   0.85467494  0.70345626  0.79277789
   0.59135999  0.80139873  0.42506105
   0.89288935  0.94755791  0.85190168
   0.92899750  0.88925253  0.66452482
   0.68236313  0.89809094  0.73651559
   0.78403849  0.60523406  0.97105374
   0.53491019  0.63178159  0.91135104
   0.66126196  0.83875134  0.57829041
   0.64705798  0.87519247  0.45921079
   0.89687293  0.20534774  0.12189851
   0.77496258  0.40976591  0.34690874
   0.26028805  0.10843652  0.67122908
   0.26977303  0.71333270  0.74573221
   0.02502330  1.12700632  0.14578054
   0.19384184  1.00611755 -0.01174706
   0.63386521  0.37119336  0.85482617
   0.90512449  0.45675414  0.65564584
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884729    0.177899   -0.103540
    -0.000000    9.801277   -0.162211
    -0.000000    0.000000   13.918872
   Si   O    H 
    32    64    10
Direct configuration=   565
   0.15105542  0.15535998 -0.03060273
   0.40840720  0.08117264  0.37187977
   0.12580583  0.38812134  0.12506398
   0.39017106  0.33902672  0.25265006
   0.14609489  0.15459521  0.49741059
   0.39437454  0.12817992  0.86168300
   0.11791039  0.43230886  0.61091519
   0.34084200  0.37146870  0.75325176
   0.13558228  0.65512164  0.00203144
   0.41375120  0.58231524  0.36721023
   0.08094478  0.89292668  0.14829696
   0.34247869  0.82075214  0.25046322
   0.16289504  0.66736646  0.48693409
   0.37794217  0.60889264  0.87997634
   0.06424036  0.91139892  0.60771378
   0.30622816  0.97477875  0.69916543
   0.63502962  0.15921666  1.00396656
   0.89058585  0.11020015  0.38210094
   0.61890394  0.42162327  0.12294693
   0.87876488  0.30273403  0.20888822
   0.64797857  0.17102590  0.50357270
   0.88428743  0.10584202  0.87014526
   0.58214666  0.43838932  0.61690600
   0.76029428  0.36121629  0.79848118
   0.63026652  0.66322218 -0.00362893
   0.89826174  0.60371938  0.37606749
   0.57452582  0.91097286  0.12637470
   0.82165979  0.85194381  0.26593616
   0.64682323  0.65549802  0.47642727
   0.88611216  0.60568882  0.88215465
   0.59500065  0.93551153  0.63616372
   0.84156292  0.85402636  0.75957419
   0.10453982  0.06330149  0.13654774
   0.37653214  0.18438070  0.28340073
   0.10536685  0.29063265  0.03375368
   0.36584371  0.42800426  0.34992480
   0.54087407  0.38432966  0.21636096
   0.28566011  0.36232014  0.16227345
   0.29373301  0.10029193  0.46477597
   0.04559312  0.14916842  0.40704693
   0.06554617  0.06592594  0.57572408
   0.40013843  0.22173788  0.76865158
   0.17424659  0.31184530  0.53206620
   0.33990214  0.44790045  0.85846540
   0.44094505  0.43917115  0.67458248
   0.18612761  0.39984942  0.72082569
   0.30237617  0.20144664 -0.05559681
   0.03506121  0.15698813  0.87589491
   0.10503245  0.54195267  0.08021049
   0.39232313  0.66197918  0.25899464
   0.10294607  0.80614635  0.04940219
   0.39427800  0.92753964  0.34082360
   0.41426333  0.87673162  0.15045780
   0.17506059  0.83684875  0.23214323
   0.32018484  0.66591547  0.45176709
   0.06438661  0.60355375  0.40318241
   0.15967991  0.58402026  0.58454258
   0.35574286  0.71105163  0.78467681
   0.10536345  0.82331716  0.51298423
   0.34371001  0.98846291  0.81372320
   0.43577877  0.91728544  0.64028117
   0.17652983  0.87245154  0.69342276
   0.29556672  0.66213797 -0.03131260
   0.04353366  0.63376811  0.90969811
   0.59146287  0.07714171  0.10096915
   0.83581451  0.19410124  0.28851492
   0.61070416  0.32049559  0.02766051
   0.86852443  0.43271651  0.36968055
   0.03459627  0.35529221  0.21517490
   0.77583388  0.41874580  0.16575774
   0.80609960  0.16654140  0.47066619
   0.55069755  0.09745487  0.42458906
   0.64301147  0.07995708  0.59745834
   0.80767802  0.20605856  0.79385410
   0.59629744  0.33445687  0.52528825
   0.88400984  0.45736138  0.82996999
   0.96197925  0.42127240  0.61092538
   0.71184171  0.39316000  0.69032951
   0.79156332  0.14369995  0.97267335
   0.55077283  0.11287242  0.90542644
   0.57197600  0.57199230  0.08471338
   0.85688140  0.69378532  0.29151538
   0.62135513  0.81859449  0.02737774
   0.85000478  0.95724215  0.35372502
   0.92459233  0.86112469  0.17405018
   0.66258700  0.87112451  0.22442317
   0.80914456  0.64626498  0.46857307
   0.56558404  0.55294255  0.39791554
   0.60529580  0.59851297  0.57910405
   0.85596331  0.70355298  0.79175365
   0.59221140  0.80015454  0.42479380
   0.89413980  0.94747967  0.85263462
   0.92815367  0.88906501  0.66437324
   0.68338343  0.89560731  0.73602320
   0.78157604  0.60542789  0.97059052
   0.53468474  0.63243475  0.91140192
   0.65884037  0.83675136  0.58243646
   0.64172665  0.87292364  0.45621253
   0.90407267  0.20321532  0.12618014
   0.78150437  0.42352470  0.34090669
   0.25379899  0.11064137  0.67097275
   0.26935389  0.71120980  0.74968896
   0.03107576  1.11691722  0.14230142
   0.19060176  1.00746557 -0.01441243
   0.62445747  0.37004260  0.85911572
   0.90209528  0.45551498  0.66124034
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885008    0.177784   -0.103358
    -0.000000    9.802392   -0.158065
    -0.000000    0.000000   13.919253
   Si   O    H 
    32    64    10
Direct configuration=   566
   0.15024517  0.15716430 -0.03078277
   0.40881947  0.08228731  0.37200973
   0.12667030  0.38882267  0.12611491
   0.38996705  0.33982300  0.25298569
   0.14735913  0.15403076  0.49708157
   0.39375348  0.12761216  0.86300703
   0.11815373  0.43235159  0.60944713
   0.34120358  0.37103135  0.75339651
   0.13509179  0.65661076  0.00239863
   0.41183278  0.58205450  0.36646243
   0.08019859  0.89265273  0.14841531
   0.34193900  0.82039533  0.24903793
   0.16376804  0.66806686  0.48702126
   0.37892868  0.60846468  0.87926810
   0.06346734  0.91144628  0.60768481
   0.30539635  0.97461112  0.69923368
   0.63400196  0.15849600  1.00411980
   0.89123641  0.11064214  0.38274494
   0.61902591  0.42173825  0.12282603
   0.87769456  0.30290213  0.20939508
   0.64687876  0.17059714  0.50293953
   0.88349293  0.10617573  0.87031014
   0.58219739  0.43836845  0.61692288
   0.76033033  0.36100276  0.79844749
   0.63216340  0.66196530 -0.00318402
   0.89992026  0.60464813  0.37659099
   0.57467529  0.91087129  0.12585138
   0.82195075  0.85326826  0.26547242
   0.64778932  0.65572472  0.47646597
   0.88788403  0.60513668  0.88230985
   0.59430174  0.93459987  0.63585776
   0.84010799  0.85465432  0.76050631
   0.10645504  0.06267818  0.13587075
   0.37672215  0.18238627  0.28407064
   0.10545335  0.29080967  0.03309263
   0.36540263  0.42749068  0.34914054
   0.53887996  0.38339893  0.21574057
   0.28806556  0.36329747  0.16092588
   0.29309901  0.10241533  0.46370834
   0.04512329  0.14963679  0.40675166
   0.06554257  0.06633358  0.57657447
   0.40090932  0.22329380  0.76930884
   0.17792587  0.31173234  0.53200793
   0.34075120  0.44893659  0.85828287
   0.44101858  0.43864329  0.67476496
   0.18485901  0.39845194  0.71999470
   0.30297473  0.20130469 -0.05584259
   0.03587827  0.15631172  0.87490111
   0.10506219  0.54164963  0.08079701
   0.39352558  0.66176180  0.25820659
   0.10348932  0.80544940  0.04961352
   0.39151731  0.92883688  0.34161909
   0.41500509  0.87729024  0.15011679
   0.17368083  0.83874768  0.23203139
   0.32018298  0.66374457  0.45218759
   0.06614880  0.60299794  0.40210125
   0.16005627  0.58297610  0.58549856
   0.35345261  0.71204007  0.78453687
   0.10682433  0.82267855  0.51248514
   0.34348192  0.98950720  0.81312078
   0.43656942  0.91837520  0.64079127
   0.17732613  0.87265851  0.69385291
   0.29368365  0.66359199 -0.03196646
   0.04521424  0.63458564  0.90798719
   0.59079581  0.07832566  0.10015575
   0.83642358  0.19398987  0.28827020
   0.61043862  0.32023282  0.02688314
   0.86845022  0.43334282  0.36870384
   0.03494346  0.35644255  0.21652179
   0.77348870  0.41927239  0.16603200
   0.80752411  0.16677520  0.47031469
   0.55006881  0.09682175  0.42388630
   0.64340261  0.07746932  0.59606031
   0.80613203  0.20334104  0.79402234
   0.59841016  0.33381533  0.52591753
   0.88403843  0.45476262  0.83046811
   0.96088875  0.42142012  0.61084700
   0.71221098  0.39236177  0.69019090
   0.79194922  0.14192684  0.97259270
   0.55066872  0.11167323  0.90477149
   0.57259374  0.57154165  0.08306756
   0.85585563  0.69492444  0.29127118
   0.62157999  0.81810394  0.02810639
   0.84946860  0.95680805  0.35363283
   0.92441271  0.86046599  0.17389679
   0.66297333  0.87039074  0.22452266
   0.80892220  0.64662639  0.46885677
   0.56772413  0.55135284  0.39900930
   0.60308326  0.59733641  0.57946838
   0.85661025  0.70349187  0.79109715
   0.59325529  0.79905115  0.42511191
   0.89540034  0.94656394  0.85297945
   0.92779110  0.88915331  0.66443661
   0.68383551  0.89315529  0.73537079
   0.77936144  0.60627925  0.96992160
   0.53433228  0.63300976  0.91101317
   0.65917917  0.83053156  0.58200079
   0.63744436  0.87397270  0.45266905
   0.90577484  0.20350994  0.12977791
   0.78059870  0.43471609  0.33551335
   0.24800185  0.10893379  0.67052328
   0.27217269  0.70917626  0.75480783
   0.01880123  1.11988610  0.14207997
   0.18707375  1.01547663 -0.01543290
   0.62152406  0.37137167  0.86223406
   0.89837829  0.45398076  0.66658483
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885519    0.177758   -0.103363
    -0.000000    9.803198   -0.154133
    -0.000000    0.000000   13.919546
   Si   O    H 
    32    64    10
Direct configuration=   567
   0.14937408  0.15835414 -0.03053068
   0.40891357  0.08365643  0.37173870
   0.12785098  0.38939456  0.12672568
   0.38942452  0.34050859  0.25315262
   0.14896654  0.15299306  0.49674462
   0.39392666  0.12651670  0.86418324
   0.11883070  0.43236520  0.60820909
   0.34127875  0.37199311  0.75326816
   0.13544439  0.65812959  0.00305202
   0.40974566  0.58151444  0.36576198
   0.08011426  0.89255752  0.14848957
   0.34177976  0.82090427  0.24790149
   0.16476065  0.66893042  0.48717175
   0.37960436  0.60814478  0.87816795
   0.06268800  0.91159829  0.60808792
   0.30464611  0.97410170  0.69930256
   0.63298627  0.15786801  1.00391730
   0.89167662  0.11117126  0.38302364
   0.61972415  0.42249510  0.12266818
   0.87680141  0.30294137  0.21018054
   0.64556711  0.17000682  0.50216858
   0.88307547  0.10680263  0.87070286
   0.58216136  0.43891826  0.61688871
   0.76019967  0.36037720  0.79847226
   0.63354247  0.66010750 -0.00270234
   0.90200071  0.60573696  0.37747394
   0.57430774  0.91122177  0.12542873
   0.82183790  0.85434059  0.26448880
   0.64858827  0.65609768  0.47621159
   0.88927038  0.60521018  0.88236203
   0.59382753  0.93361642  0.63588612
   0.83852554  0.85561986  0.76125265
   0.10797340  0.06219153  0.13522035
   0.37647845  0.18014257  0.28452427
   0.10480831  0.29192741  0.03199821
   0.36527543  0.42579600  0.34847716
   0.53625021  0.38179916  0.21459071
   0.28917577  0.36418076  0.16006871
   0.29242532  0.10418011  0.46259052
   0.04444448  0.14986537  0.40638725
   0.06542797  0.06677763  0.57720679
   0.40266168  0.22527394  0.77014153
   0.18134219  0.31172846  0.53234805
   0.34137528  0.45161695  0.85813988
   0.44103057  0.43801727  0.67450180
   0.18384526  0.39796621  0.71874364
   0.30329534  0.20164905 -0.05585488
   0.03744054  0.15555319  0.87438048
   0.10524162  0.54097461  0.08111085
   0.39466855  0.66165483  0.25751865
   0.10422041  0.80433841  0.04960459
   0.38872603  0.92861486  0.34203256
   0.41545861  0.87816738  0.15007800
   0.17307963  0.84060305  0.23239434
   0.32074302  0.66171321  0.45234262
   0.06706559  0.60315529  0.40153169
   0.16079030  0.58190405  0.58632261
   0.35225748  0.71219560  0.78569142
   0.10809482  0.82226520  0.51145035
   0.34378993  0.98998289  0.81302990
   0.43697398  0.91934789  0.64094821
   0.17827229  0.87311042  0.69406444
   0.29157295  0.66521224 -0.03259522
   0.04607693  0.63595143  0.90574693
   0.59025148  0.07971116  0.09979368
   0.83682228  0.19374068  0.28765926
   0.60981252  0.32063271  0.02618797
   0.86850321  0.43489022  0.36739731
   0.03498648  0.35739753  0.21838324
   0.77185035  0.41943599  0.16690671
   0.80732600  0.16666733  0.47047650
   0.55007688  0.09737853  0.42363038
   0.64379597  0.07588335  0.59490277
   0.80536713  0.20086282  0.79394569
   0.60024943  0.33253170  0.52637557
   0.88396698  0.45223922  0.83101598
   0.95923889  0.42162711  0.61181784
   0.71272244  0.39087400  0.68989915
   0.79219100  0.14001154  0.97212789
   0.54979313  0.11100398  0.90454311
   0.57301861  0.57119014  0.08175006
   0.85500435  0.69501530  0.29072948
   0.62215466  0.81832504  0.02891614
   0.84976182  0.95535006  0.35379345
   0.92492632  0.86049380  0.17422900
   0.66290237  0.86987400  0.22465602
   0.80861007  0.64689342  0.46913936
   0.56922950  0.55060949  0.39956145
   0.60064776  0.59663771  0.57988099
   0.85752434  0.70295220  0.79081701
   0.59341743  0.79744180  0.42558025
   0.89500696  0.94576810  0.85266067
   0.92688579  0.88933219  0.66411251
   0.68425544  0.89101575  0.73415210
   0.77787867  0.60719030  0.97001823
   0.53424543  0.63345140  0.91025835
   0.65891692  0.82312271  0.57797271
   0.64031323  0.88143838  0.45438775
   0.90197289  0.20370219  0.13020939
   0.78200928  0.44385847  0.33124023
   0.24163553  0.10747441  0.67322584
   0.26136969  0.70275023  0.75626829
   0.01212792  1.12029567  0.14008914
   0.18264634  1.01989100 -0.01469997
   0.62404397  0.37177910  0.86298509
   0.90325934  0.45061228  0.66679944
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885716    0.177311   -0.103453
    -0.000000    9.804409   -0.150434
    -0.000000    0.000000   13.918966
   Si   O    H 
    32    64    10
Direct configuration=   568
   0.14861580  0.15952880 -0.03034285
   0.40851266  0.08477552  0.37174361
   0.12893018  0.38975974  0.12680253
   0.38940679  0.34048159  0.25308474
   0.14972611  0.15193257  0.49609927
   0.39419247  0.12521492  0.86535875
   0.11934526  0.43250452  0.60682033
   0.34144807  0.37311537  0.75300028
   0.13556291  0.65879237  0.00367291
   0.40803119  0.58125124  0.36549121
   0.07973878  0.89253171  0.14826635
   0.34140743  0.82161918  0.24709755
   0.16559616  0.66928651  0.48762570
   0.38061756  0.60803936  0.87679088
   0.06188407  0.91203459  0.60856028
   0.30352111  0.97382147  0.69940205
   0.63273927  0.15739896  1.00341183
   0.89230294  0.11196650  0.38336095
   0.62049674  0.42281216  0.12235253
   0.87584827  0.30298438  0.21126090
   0.64477345  0.16958341  0.50150763
   0.88254049  0.10751984  0.87136239
   0.58301692  0.43886100  0.61725948
   0.75969017  0.35913482  0.79845782
   0.63511620  0.65806395 -0.00222980
   0.90474909  0.60615944  0.37835929
   0.57414337  0.91134187  0.12522433
   0.82155684  0.85540878  0.26382814
   0.64940680  0.65684493  0.47578724
   0.89128865  0.60529193  0.88230775
   0.59372443  0.93261970  0.63585394
   0.83695259  0.85698599  0.76165302
   0.10900507  0.06154845  0.13440360
   0.37691030  0.17881331  0.28504738
   0.10452263  0.29319839  0.03116495
   0.36445447  0.42380846  0.34827242
   0.53383655  0.38068714  0.21424709
   0.28977305  0.36529467  0.15909392
   0.29182901  0.10646752  0.46153560
   0.04387590  0.15063346  0.40617867
   0.06544460  0.06809773  0.57738982
   0.40387554  0.22703035  0.77088686
   0.18390221  0.31217372  0.53293911
   0.34237481  0.45476029  0.85834204
   0.44197094  0.43734716  0.67412350
   0.18355164  0.39756221  0.71715226
   0.30367599  0.20198616 -0.05588969
   0.03922993  0.15515652  0.87394927
   0.10471205  0.54006974  0.08156649
   0.39655698  0.66101777  0.25719261
   0.10468478  0.80395301  0.04953122
   0.38647116  0.92801370  0.34176908
   0.41534270  0.87846605  0.15026245
   0.17401540  0.84251113  0.23324587
   0.32100968  0.66017607  0.45251530
   0.06689345  0.60312505  0.40107529
   0.16174375  0.58234911  0.58669619
   0.35033597  0.71159695  0.78703188
   0.10908304  0.82163343  0.51053963
   0.34437748  0.99035744  0.81262088
   0.43607565  0.91967266  0.64001311
   0.17904566  0.87348359  0.69327421
   0.29001201  0.66684204 -0.03243053
   0.04649826  0.63705945  0.90410043
   0.58944651  0.08091510  0.09949056
   0.83742936  0.19387157  0.28759754
   0.60890580  0.32183020  0.02612011
   0.86826479  0.43690000  0.36632623
   0.03466672  0.35903281  0.22032215
   0.77114820  0.42018647  0.16807815
   0.80597577  0.16604218  0.47067017
   0.55021442  0.09776041  0.42381002
   0.64460978  0.07492932  0.59337007
   0.80530260  0.19868681  0.79386305
   0.60163930  0.33082091  0.52686848
   0.88382073  0.44989472  0.83160857
   0.95678418  0.42216985  0.61240750
   0.71310298  0.38964228  0.68950688
   0.79235248  0.13839437  0.97117100
   0.54937228  0.11050708  0.90479956
   0.57397903  0.57067107  0.08086736
   0.85362451  0.69424664  0.28972047
   0.62212574  0.81938996  0.02983428
   0.85068993  0.95376729  0.35423938
   0.92434153  0.86058603  0.17476257
   0.66335864  0.86980149  0.22452820
   0.80924964  0.64778540  0.46896400
   0.57121569  0.55021501  0.39991872
   0.59789701  0.59608303  0.58008252
   0.85785699  0.70191013  0.79049509
   0.59415622  0.79664067  0.42676427
   0.89446852  0.94513175  0.85174971
   0.92688882  0.88923281  0.66346232
   0.68360843  0.88893108  0.73287505
   0.77805438  0.60817128  0.96962455
   0.53449018  0.63414918  0.90906391
   0.65838789  0.81450288  0.57676140
   0.63675516  0.88022438  0.45550953
   0.89298990  0.20230859  0.12826715
   0.78296851  0.44815560  0.32967828
   0.23987117  0.10751044  0.67720717
   0.25588681  0.69851876  0.75862383
   0.01627784  1.11532134  0.13741740
   0.17442830  1.02417201 -0.01443474
   0.63404490  0.37169372  0.86191196
   0.91009614  0.44538608  0.66635910
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885865    0.177014   -0.103884
    -0.000000    9.805464   -0.146694
    -0.000000    0.000000   13.918283
   Si   O    H 
    32    64    10
Direct configuration=   569
   0.14774609  0.16060542 -0.03018278
   0.40783476  0.08542937  0.37190218
   0.13043041  0.38996128  0.12661753
   0.38942017  0.34011784  0.25282382
   0.15065955  0.15126648  0.49562368
   0.39472283  0.12415980  0.86615191
   0.12069769  0.43263837  0.60540997
   0.34193376  0.37393688  0.75267676
   0.13602000  0.65865534  0.00387499
   0.40715965  0.58082490  0.36516066
   0.07941007  0.89252510  0.14824478
   0.34147876  0.82156526  0.24683241
   0.16664299  0.66932573  0.48806320
   0.38143077  0.60836085  0.87546600
   0.06159415  0.91193884  0.60872757
   0.30235183  0.97369741  0.69942196
   0.63261272  0.15719770  1.00298292
   0.89283214  0.11352211  0.38334141
   0.62104917  0.42388346  0.12151824
   0.87509853  0.30309622  0.21183054
   0.64399969  0.16889686  0.50095242
   0.88257469  0.10830160  0.87222826
   0.58433796  0.43877104  0.61767589
   0.75907338  0.35808302  0.79859109
   0.63577486  0.65706849 -0.00199524
   0.90724480  0.60654625  0.37922818
   0.57400700  0.91120157  0.12506830
   0.82119210  0.85646195  0.26350563
   0.64989219  0.65771450  0.47509484
   0.89282104  0.60515281  0.88212090
   0.59404100  0.93148360  0.63563232
   0.83518166  0.85889770  0.76188289
   0.10977977  0.06144119  0.13411734
   0.37742275  0.17828348  0.28529118
   0.10442376  0.29442396  0.03024621
   0.36371178  0.42188339  0.34835523
   0.53184776  0.37955227  0.21424727
   0.29035110  0.36582403  0.15834457
   0.29232460  0.10884691  0.46034796
   0.04356690  0.15137092  0.40571388
   0.06525352  0.06933328  0.57739034
   0.40597357  0.22813119  0.77152593
   0.18576537  0.31272168  0.53337069
   0.34342083  0.45776458  0.85831836
   0.44265480  0.43626172  0.67449379
   0.18294463  0.39680937  0.71576679
   0.30405831  0.20230148 -0.05579475
   0.04061209  0.15435649  0.87337781
   0.10438818  0.53973596  0.08176185
   0.39760210  0.66083193  0.25715756
   0.10452557  0.80406912  0.04908558
   0.38391208  0.92645712  0.34089358
   0.41583072  0.87927293  0.15052544
   0.17576642  0.84382501  0.23449292
   0.32117962  0.65900493  0.45288542
   0.06708900  0.60380740  0.40089784
   0.16290425  0.58247322  0.58704092
   0.34781993  0.71061239  0.78818351
   0.10906172  0.82088025  0.50929288
   0.34485938  0.99034172  0.81272333
   0.43469945  0.91989575  0.63861878
   0.17808995  0.87406301  0.69204553
   0.28893008  0.66768320 -0.03286972
   0.04684920  0.63836464  0.90266072
   0.58906622  0.08149635  0.09878695
   0.83778888  0.19432164  0.28758985
   0.60778875  0.32216999  0.02648694
   0.86812869  0.43945676  0.36485538
   0.03535187  0.35994320  0.22194353
   0.77069170  0.42022146  0.17013819
   0.80505976  0.16500566  0.47103437
   0.55149234  0.09903021  0.42377720
   0.64527841  0.07444405  0.59213923
   0.80404716  0.19689699  0.79331256
   0.60317660  0.32914064  0.52719764
   0.88399197  0.44921926  0.83241104
   0.95498224  0.42257663  0.61203552
   0.71292783  0.38918246  0.68868033
   0.79216352  0.13691787  0.96994685
   0.54841482  0.11042928  0.90523507
   0.57506870  0.56977419  0.08035046
   0.85222026  0.69379673  0.28869483
   0.62178025  0.82028323  0.03064878
   0.85202466  0.95186920  0.35471840
   0.92365747  0.85982122  0.17497276
   0.66380871  0.86952969  0.22443920
   0.80959729  0.64828769  0.46857669
   0.57233673  0.54995427  0.39991347
   0.59559709  0.59544298  0.58036256
   0.85715896  0.69996575  0.79053010
   0.59435976  0.79684502  0.42772348
   0.89402636  0.94442773  0.85081870
   0.92655371  0.88888233  0.66231049
   0.68293488  0.88709560  0.73195414
   0.77884330  0.60868481  0.96942472
   0.53505683  0.63463598  0.90788778
   0.65659896  0.81143482  0.57547484
   0.63211165  0.87541329  0.45783053
   0.88404969  0.20085222  0.12593408
   0.78458468  0.44905350  0.32981628
   0.23906365  0.10804761  0.68017063
   0.25835415  0.69882101  0.76218392
   0.03039095  1.10688687  0.13296513
   0.16581768  1.01733150 -0.01239335
   0.64455729  0.37545158  0.85731355
   0.91145005  0.44354361  0.67470717
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886434    0.176638   -0.103774
    -0.000000    9.806386   -0.143117
    -0.000000    0.000000   13.917662
   Si   O    H 
    32    64    10
Direct configuration=   570
   0.14724542  0.16126982 -0.03049327
   0.40631525  0.08499287  0.37211043
   0.13162116  0.39012340  0.12667568
   0.38939803  0.33964096  0.25258265
   0.15159770  0.15160027  0.49521988
   0.39493327  0.12332439  0.86667861
   0.12169729  0.43208853  0.60388852
   0.34247009  0.37514674  0.75216247
   0.13727004  0.65779452  0.00423072
   0.40728021  0.58037342  0.36490321
   0.07877305  0.89264492  0.14812087
   0.34166234  0.82203949  0.24686697
   0.16741086  0.66946266  0.48910071
   0.38233525  0.60902717  0.87447965
   0.06168046  0.91173453  0.60881786
   0.30188929  0.97303158  0.69932759
   0.63301874  0.15743536  1.00254423
   0.89296455  0.11528238  0.38327708
   0.62096212  0.42460071  0.12072012
   0.87477120  0.30292665  0.21206296
   0.64393950  0.16837331  0.50037235
   0.88184201  0.10867715  0.87320535
   0.58535608  0.43899927  0.61765335
   0.75836984  0.35708459  0.79880398
   0.63627266  0.65674706 -0.00174514
   0.90887207  0.60732267  0.38011352
   0.57411669  0.91143375  0.12536536
   0.82044991  0.85734645  0.26341741
   0.65032874  0.65810321  0.47443763
   0.89389501  0.60511925  0.88176244
   0.59521915  0.93017073  0.63509672
   0.83401123  0.86013373  0.76129717
   0.11120591  0.06028207  0.13403542
   0.37759213  0.17972591  0.28512246
   0.10439860  0.29554953  0.02992310
   0.36259971  0.42051597  0.34841916
   0.53030524  0.37889168  0.21334170
   0.29070747  0.36601186  0.15750980
   0.29388634  0.10951912  0.45915808
   0.04464333  0.15218984  0.40504697
   0.06649960  0.07104880  0.57718321
   0.40858673  0.22923639  0.77219954
   0.18696099  0.31283714  0.53348266
   0.34382474  0.45951807  0.85822832
   0.44398846  0.43516054  0.67452382
   0.18242703  0.39589157  0.71512330
   0.30290741  0.20247643 -0.05551682
   0.04231888  0.15389937  0.87377916
   0.10496846  0.53993102  0.08174951
   0.39885131  0.66107146  0.25826733
   0.10324623  0.80518640  0.04896298
   0.38155984  0.92382730  0.33962215
   0.41642808  0.87970828  0.15022855
   0.17785469  0.84571750  0.23579496
   0.32165747  0.65785584  0.45263917
   0.06811552  0.60457399  0.40083390
   0.16423467  0.58186440  0.58730914
   0.34564157  0.70917432  0.78876770
   0.10865678  0.81969142  0.50847006
   0.34519347  0.99061369  0.81312943
   0.43296760  0.91987117  0.63718071
   0.17629332  0.87352899  0.69083959
   0.28838973  0.66894487 -0.03353012
   0.04750559  0.63940286  0.90176615
   0.58852477  0.08122678  0.09797337
   0.83828831  0.19522668  0.28752353
   0.60635476  0.32212722  0.02697918
   0.86800199  0.44172742  0.36319832
   0.03623895  0.36029093  0.22340510
   0.77007634  0.42012018  0.17215419
   0.80425302  0.16361468  0.47172423
   0.55235043  0.09979659  0.42375933
   0.64635191  0.07379096  0.59121373
   0.80267445  0.19531098  0.79291844
   0.60487536  0.32711759  0.52763177
   0.88386205  0.44890290  0.83374216
   0.95270357  0.42354762  0.61167793
   0.71222401  0.38911972  0.68696399
   0.79221865  0.13548428  0.96898598
   0.54771721  0.11038596  0.90611554
   0.57607382  0.56866754  0.07984692
   0.85067155  0.69329460  0.28806533
   0.62052017  0.82166550  0.03139723
   0.85328838  0.95073975  0.35602170
   0.92387330  0.85983904  0.17481409
   0.66442473  0.86973335  0.22486284
   0.80975001  0.64939711  0.46801111
   0.57289670  0.54981479  0.39999846
   0.59350076  0.59393302  0.58030928
   0.85676550  0.69797331  0.79050686
   0.59446937  0.79749601  0.42859701
   0.89344647  0.94375293  0.84987883
   0.92548731  0.88824567  0.66115182
   0.68145940  0.88604265  0.73054457
   0.77995694  0.60977528  0.96878133
   0.53616616  0.63557467  0.90671529
   0.65399603  0.81517614  0.57407767
   0.62970327  0.87679662  0.46014915
   0.87948850  0.20311101  0.12801665
   0.77917084  0.45098923  0.32959582
   0.24156444  0.10516008  0.68363301
   0.25646368  0.69967628  0.76411682
   0.01991424  1.11132208  0.12900768
   0.15576255  1.00773678 -0.01004590
   0.64997553  0.37830887  0.85548273
   0.91511147  0.44019622  0.67904789
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887667    0.176631   -0.104288
    -0.000000    9.807190   -0.139927
    -0.000000    0.000000   13.916860
   Si   O    H 
    32    64    10
Direct configuration=   571
   0.14714559  0.16136609 -0.03068009
   0.40509705  0.08425168  0.37273128
   0.13254392  0.39000870  0.12699832
   0.38892683  0.33882837  0.25199192
   0.15216410  0.15243826  0.49493994
   0.39553495  0.12316635  0.86671538
   0.12289230  0.43143256  0.60311727
   0.34219178  0.37712236  0.75194605
   0.13782072  0.65715541  0.00432549
   0.40769575  0.58065863  0.36486941
   0.07830996  0.89292069  0.14756050
   0.34201216  0.82249555  0.24691677
   0.16833624  0.66933261  0.48963169
   0.38354416  0.61018660  0.87340484
   0.06151155  0.91126394  0.60873287
   0.30194654  0.97296312  0.69923651
   0.63287022  0.15728801  1.00206905
   0.89367630  0.11656778  0.38313213
   0.62037891  0.42493394  0.12028506
   0.87516634  0.30266152  0.21182739
   0.64422023  0.16909766  0.49997046
   0.88148405  0.10870100  0.87395062
   0.58619605  0.43949417  0.61765684
   0.75762643  0.35607571  0.79895850
   0.63651434  0.65740037 -0.00164509
   0.91022543  0.60773389  0.38099667
   0.57357363  0.91131715  0.12535288
   0.81981790  0.85771352  0.26354459
   0.65052773  0.65840962  0.47354799
   0.89485236  0.60465118  0.88115834
   0.59569961  0.92901435  0.63403945
   0.83297370  0.86083866  0.76033317
   0.11202851  0.05935066  0.13431216
   0.37836704  0.18116900  0.28500082
   0.10380856  0.29703463  0.03055820
   0.36095087  0.41985183  0.34887413
   0.52957320  0.37853319  0.21167799
   0.29084777  0.36563839  0.15736262
   0.29575453  0.10980388  0.45748224
   0.04534886  0.15360440  0.40429889
   0.06771487  0.07243407  0.57648076
   0.41161311  0.23010061  0.77257890
   0.18852870  0.31217949  0.53349350
   0.34451445  0.45996828  0.85795738
   0.44532211  0.43398823  0.67448592
   0.18219575  0.39472907  0.71376054
   0.30165342  0.20277975 -0.05488216
   0.04366808  0.15325232  0.87390552
   0.10499332  0.54074970  0.08153788
   0.40044530  0.66185160  0.25920063
   0.10208292  0.80639150  0.04856208
   0.37955424  0.92143567  0.33886565
   0.41731715  0.87947370  0.14969785
   0.17978079  0.84809221  0.23640057
   0.32233480  0.65636967  0.45269683
   0.06976913  0.60605761  0.40102638
   0.16539697  0.58203499  0.58782738
   0.34463191  0.70786921  0.78896172
   0.10735996  0.81919313  0.50701175
   0.34592365  0.99020252  0.81295760
   0.43190174  0.91957926  0.63600091
   0.17581114  0.87251081  0.68985648
   0.28770573  0.66990816 -0.03403463
   0.04793114  0.64104522  0.90157080
   0.58783971  0.08111851  0.09753967
   0.83832285  0.19545820  0.28775610
   0.60614430  0.32160844  0.02774455
   0.86795733  0.44435764  0.36100170
   0.03777328  0.36051748  0.22431265
   0.76905517  0.42029737  0.17396791
   0.80358630  0.16224498  0.47223406
   0.55268455  0.09998922  0.42379173
   0.64743335  0.07379502  0.59099729
   0.80199265  0.19354907  0.79323416
   0.60648297  0.32490289  0.52758847
   0.88366858  0.44869780  0.83471501
   0.95056487  0.42529372  0.61120464
   0.71172264  0.39102511  0.68597080
   0.79154317  0.13367093  0.96824478
   0.54724819  0.10963152  0.90715328
   0.57698637  0.56726522  0.07981922
   0.84926679  0.69322724  0.28778999
   0.61944365  0.82373808  0.03204078
   0.85359971  0.95004272  0.35734552
   0.92346463  0.86021417  0.17469524
   0.66486518  0.86971172  0.22457819
   0.81054584  0.65081178  0.46775423
   0.57305049  0.55045550  0.40047945
   0.59178393  0.59290870  0.58001648
   0.85694116  0.69603389  0.79034916
   0.59492672  0.79876714  0.42981855
   0.89278685  0.94312560  0.84941094
   0.92297066  0.88607977  0.66049843
   0.67985225  0.88529540  0.72941659
   0.78232726  0.61079905  0.96845444
   0.53826315  0.63598782  0.90529395
   0.64961411  0.82620108  0.57496788
   0.63243239  0.88113998  0.46328846
   0.87906851  0.20628075  0.13128854
   0.77610855  0.45274319  0.33036244
   0.24157393  0.10615729  0.68846989
   0.24943934  0.70166067  0.76346069
   0.01601211  1.11367144  0.12788360
   0.14541919  1.00321906 -0.01115645
   0.64414205  0.38268828  0.85947342
   0.92208508  0.43423620  0.67759027
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888719    0.176905   -0.104949
    -0.000000    9.807552   -0.137325
    -0.000000    0.000000   13.916741
   Si   O    H 
    32    64    10
Direct configuration=   572
   0.14781521  0.16147351 -0.03091391
   0.40397097  0.08321825  0.37309340
   0.13323318  0.39004141  0.12725949
   0.38815406  0.33744889  0.25115323
   0.15246271  0.15317686  0.49444434
   0.39638205  0.12274641  0.86604379
   0.12341159  0.43001215  0.60312042
   0.34159666  0.37909349  0.75151926
   0.13874561  0.65640298  0.00398640
   0.40871894  0.58109747  0.36485784
   0.07772883  0.89385623  0.14706263
   0.34229847  0.82264994  0.24650743
   0.16907777  0.66840492  0.49012758
   0.38480539  0.61166101  0.87303262
   0.06146321  0.90997942  0.60908049
   0.30253554  0.97331364  0.69940869
   0.63242636  0.15765702  1.00151813
   0.89375956  0.11756656  0.38293434
   0.61945225  0.42452740  0.12014152
   0.87646964  0.30231776  0.21126069
   0.64460324  0.16983111  0.50002708
   0.88092090  0.10834389  0.87440153
   0.58723272  0.44013383  0.61801593
   0.75662251  0.35549270  0.79858808
   0.63565034  0.65854164 -0.00172644
   0.91170054  0.60767475  0.38175473
   0.57305348  0.91134099  0.12566115
   0.81938164  0.85788405  0.26360722
   0.65028926  0.65891674  0.47266973
   0.89504322  0.60432483  0.88085667
   0.59601270  0.92803097  0.63291584
   0.83159496  0.86160923  0.75931153
   0.11181583  0.05861378  0.13497679
   0.37789184  0.18269982  0.28427065
   0.10279811  0.29890955  0.03136425
   0.36010992  0.41966374  0.35014467
   0.52971204  0.37835478  0.21026897
   0.29029626  0.36540520  0.15741663
   0.29722956  0.10991834  0.45601872
   0.04629355  0.15423033  0.40369355
   0.06897171  0.07396452  0.57594654
   0.41414258  0.23047659  0.77282322
   0.19027139  0.31060561  0.53389580
   0.34537628  0.45938484  0.85765494
   0.44643115  0.43279647  0.67400204
   0.18255175  0.39318936  0.71252935
   0.30083530  0.20274790 -0.05405248
   0.04470857  0.15201618  0.87392470
   0.10518077  0.54171781  0.08117504
   0.40191060  0.66334855  0.25996650
   0.10137513  0.80830669  0.04818159
   0.37805673  0.92015287  0.33847145
   0.41802037  0.87798328  0.14935945
   0.18094774  0.84992192  0.23703800
   0.32261121  0.65477799  0.45209728
   0.07160548  0.60786218  0.40136259
   0.16628104  0.58258714  0.58807306
   0.34312894  0.70800667  0.78880585
   0.10627025  0.81903987  0.50593219
   0.34587020  0.98883613  0.81300963
   0.43140560  0.91952608  0.63507474
   0.17664713  0.87130149  0.68886406
   0.28840524  0.66924678 -0.03463915
   0.04866963  0.64268615  0.90158398
   0.58656779  0.08048911  0.09669233
   0.83906627  0.19481002  0.28792725
   0.60674695  0.32115388  0.02847155
   0.86764889  0.44650640  0.35831964
   0.03905122  0.36172448  0.22499026
   0.76845347  0.42048434  0.17537767
   0.80421985  0.16150382  0.47241529
   0.55248006  0.10003266  0.42313478
   0.64883103  0.07390316  0.59066274
   0.80025802  0.19237985  0.79345031
   0.60773242  0.32271899  0.52780924
   0.88373068  0.44847256  0.83589529
   0.94911096  0.42672954  0.61013024
   0.71098287  0.39302418  0.68482942
   0.79100103  0.13192580  0.96764938
   0.54716508  0.10901179  0.90807656
   0.57858448  0.56580552  0.08074663
   0.84712924  0.69358207  0.28769535
   0.61806691  0.82540171  0.03236411
   0.85423461  0.94897310  0.35865910
   0.92301435  0.86043960  0.17530847
   0.66557555  0.86981841  0.22368134
   0.81157064  0.65231298  0.46771543
   0.57241028  0.55156371  0.40063104
   0.59065877  0.59210993  0.57920168
   0.85644028  0.69505339  0.79056979
   0.59557205  0.80063613  0.43099401
   0.89198081  0.94225587  0.84881364
   0.92040354  0.88482542  0.66029802
   0.67822648  0.88450373  0.72843785
   0.78591646  0.61096897  0.96702378
   0.54005516  0.63612419  0.90366749
   0.64578130  0.83226610  0.57309893
   0.63405584  0.88081036  0.46455105
   0.88032197  0.20691448  0.13098378
   0.77656859  0.45419063  0.33290429
   0.24518350  0.10577888  0.68944455
   0.24819324  0.70377621  0.76255402
   0.02122297  1.10947161  0.12890944
   0.13781779  1.00582597 -0.01260002
   0.63655097  0.38635579  0.86194465
   0.92797952  0.42988652  0.67913799
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889835    0.176825   -0.105571
    -0.000000    9.807299   -0.134750
    -0.000000    0.000000   13.916592
   Si   O    H 
    32    64    10
Direct configuration=   573
   0.14838767  0.16180039 -0.03100603
   0.40356356  0.08249460  0.37287968
   0.13364888  0.39021573  0.12721712
   0.38768059  0.33535911  0.25026587
   0.15259918  0.15406202  0.49405676
   0.39658428  0.12279924  0.86528083
   0.12355983  0.42782120  0.60322801
   0.34100624  0.38049134  0.75149608
   0.13955188  0.65647014  0.00335008
   0.40950318  0.58125122  0.36486665
   0.07834583  0.89554754  0.14666416
   0.34269105  0.82276050  0.24619849
   0.16969469  0.66837386  0.49086496
   0.38650391  0.61310129  0.87360965
   0.06074930  0.90885738  0.60948284
   0.30297896  0.97375828  0.69965603
   0.63166798  0.15831059  1.00065918
   0.89352973  0.11828513  0.38291300
   0.61874796  0.42441695  0.12023114
   0.87812272  0.30232932  0.21078433
   0.64577994  0.17095700  0.50021579
   0.88033627  0.10761200  0.87476456
   0.58821510  0.44047286  0.61769375
   0.75572604  0.35539220  0.79811501
   0.63523603  0.66035720 -0.00186925
   0.91251875  0.60770492  0.38201343
   0.57253357  0.91090385  0.12591920
   0.81856811  0.85776433  0.26360560
   0.65040978  0.65947875  0.47241777
   0.89501511  0.60430289  0.88047081
   0.59669033  0.92655234  0.63196320
   0.83092957  0.86209456  0.75842735
   0.11100643  0.05813412  0.13570677
   0.37752672  0.18433843  0.28288519
   0.10200548  0.30024264  0.03232283
   0.35864253  0.42052195  0.35130585
   0.52994913  0.37863762  0.20863530
   0.28984873  0.36578821  0.15731018
   0.29845414  0.10980446  0.45478015
   0.04804915  0.15522832  0.40271313
   0.06978539  0.07526927  0.57521644
   0.41611625  0.23094494  0.77256922
   0.19107783  0.30913187  0.53408819
   0.34582345  0.45843797  0.85715677
   0.44817871  0.43183494  0.67264406
   0.18391543  0.39103412  0.71080722
   0.29989082  0.20246728 -0.05282557
   0.04507550  0.15092030  0.87398022
   0.10499026  0.54272194  0.08087037
   0.40316670  0.66490294  0.26074084
   0.10033087  0.81061907  0.04796003
   0.37635891  0.91964843  0.33846006
   0.41841505  0.87643134  0.14967015
   0.18135856  0.85206658  0.23780572
   0.32331187  0.65402684  0.45132844
   0.07428241  0.60945034  0.40207211
   0.16720723  0.58372976  0.58839141
   0.34060401  0.70909120  0.78834329
   0.10434968  0.81908010  0.50485235
   0.34583557  0.98803459  0.81331452
   0.43112544  0.92001169  0.63421797
   0.17712394  0.87019134  0.68781385
   0.28949396  0.66845165 -0.03555214
   0.04929505  0.64421079  0.90203992
   0.58549923  0.07988662  0.09631562
   0.83923338  0.19397113  0.28826691
   0.60777137  0.32049668  0.02905944
   0.86742171  0.44845276  0.35553537
   0.04012768  0.36291743  0.22517810
   0.76770718  0.42139225  0.17658172
   0.80499135  0.16104360  0.47207724
   0.55198980  0.10003109  0.42253448
   0.64956087  0.07391310  0.59024215
   0.79919677  0.19166885  0.79356556
   0.60862908  0.32244009  0.52803203
   0.88338138  0.44879502  0.83684304
   0.94827516  0.42810693  0.60963417
   0.71054167  0.39475960  0.68498743
   0.79081590  0.12893051  0.96717695
   0.54764876  0.10797174  0.90894823
   0.58015407  0.56386359  0.08181921
   0.84516065  0.69418749  0.28802166
   0.61720175  0.82660784  0.03237686
   0.85568466  0.94759311  0.35977102
   0.92180703  0.86063587  0.17596267
   0.66558987  0.87004931  0.22209396
   0.81282311  0.65399788  0.46807667
   0.57129237  0.55259875  0.40092536
   0.58995840  0.59233275  0.57779333
   0.85616661  0.69378746  0.79033447
   0.59688857  0.80247387  0.43205914
   0.89112775  0.94210647  0.84791937
   0.91797834  0.88518046  0.66037849
   0.67732119  0.88367881  0.72833307
   0.78935191  0.61123003  0.96573780
   0.54252963  0.63716272  0.90202023
   0.64207922  0.83466052  0.56958598
   0.63465858  0.87945712  0.46229730
   0.88476452  0.20910275  0.12688156
   0.77355416  0.45216474  0.33251469
   0.24621472  0.10925376  0.68905123
   0.25252353  0.70626594  0.76382138
   0.02572708  1.10743706  0.13300630
   0.13525861  1.01480683 -0.01608720
   0.63043703  0.39194880  0.86186645
   0.93409079  0.42154039  0.68017592
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890869    0.176549   -0.106246
    -0.000000    9.806918   -0.133145
    -0.000000    0.000000   13.916985
   Si   O    H 
    32    64    10
Direct configuration=   574
   0.14859216  0.16196003 -0.03099468
   0.40283616  0.08166137  0.37263053
   0.13424843  0.39100431  0.12712128
   0.38697910  0.33365179  0.24930141
   0.15265574  0.15507774  0.49381863
   0.39703100  0.12384373  0.86446181
   0.12316963  0.42608615  0.60329161
   0.34025427  0.38132071  0.75140307
   0.14024602  0.65671558  0.00290252
   0.41024812  0.58095115  0.36536016
   0.07911812  0.89734812  0.14620580
   0.34356370  0.82308143  0.24605822
   0.16994570  0.66840691  0.49123835
   0.38763330  0.61411988  0.87425955
   0.06085087  0.90789087  0.61018502
   0.30351123  0.97437593  0.70003884
   0.63083238  0.15886974  0.99976186
   0.89294850  0.11859807  0.38308588
   0.61895406  0.42387154  0.12016150
   0.87943012  0.30228416  0.21021696
   0.64741312  0.17177955  0.50020150
   0.88005017  0.10622334  0.87496234
   0.58930590  0.44071737  0.61735451
   0.75504748  0.35516042  0.79720272
   0.63525243  0.66218611 -0.00155916
   0.91280490  0.60817043  0.38247388
   0.57215196  0.91113479  0.12593416
   0.81796096  0.85701183  0.26372939
   0.65012338  0.65947032  0.47225935
   0.89487121  0.60395781  0.87975002
   0.59742741  0.92593685  0.63069311
   0.83025617  0.86152880  0.75755809
   0.11015857  0.05823559  0.13650641
   0.37708097  0.18505009  0.28253355
   0.10123257  0.30070713  0.03327019
   0.35683900  0.42202116  0.35219710
   0.52964821  0.37840315  0.20752301
   0.28980577  0.36659119  0.15699612
   0.29906187  0.10938733  0.45356301
   0.05126959  0.15664369  0.40198054
   0.07047371  0.07617767  0.57502793
   0.41756628  0.23091845  0.77261445
   0.19172372  0.30775909  0.53465799
   0.34669920  0.45746557  0.85657452
   0.44894679  0.43103810  0.67168383
   0.18551759  0.38831438  0.70920729
   0.29956112  0.20181300 -0.05206130
   0.04432371  0.15004622  0.87406739
   0.10482780  0.54318862  0.08067627
   0.40397229  0.66635184  0.26176521
   0.09877385  0.81257616  0.04800401
   0.37536535  0.91955547  0.33865940
   0.41838341  0.87443987  0.14992209
   0.18111219  0.85442039  0.23757032
   0.32376113  0.65268189  0.45087057
   0.07670020  0.61048245  0.40263259
   0.16892961  0.58458531  0.58887093
   0.33917159  0.71070520  0.78745579
   0.10276576  0.81889068  0.50444201
   0.34604831  0.98695730  0.81376771
   0.43095681  0.92053870  0.63366836
   0.17734380  0.86884473  0.68680033
   0.29122584  0.66735690 -0.03631093
   0.05027060  0.64562965  0.90254325
   0.58532520  0.07922929  0.09667578
   0.83870399  0.19307698  0.28796228
   0.60820255  0.31894821  0.02921395
   0.86718107  0.45010861  0.35317805
   0.04065845  0.36391610  0.22491025
   0.76800212  0.42109548  0.17731532
   0.80636107  0.16117875  0.47205956
   0.55131510  0.09959924  0.42118095
   0.64883833  0.07346121  0.59021301
   0.79808437  0.19108542  0.79356291
   0.60948696  0.32223628  0.52841697
   0.88273848  0.44886841  0.83726553
   0.94881027  0.42858497  0.60875418
   0.71059926  0.39695651  0.68567040
   0.78984833  0.12620218  0.96640354
   0.54751098  0.10824182  0.90913448
   0.58157266  0.56376056  0.08316866
   0.84340415  0.69394426  0.28887589
   0.61680559  0.82716673  0.03204963
   0.85733972  0.94730336  0.36069232
   0.92122262  0.86134354  0.17607111
   0.66606633  0.87081389  0.22010850
   0.81379344  0.65588231  0.46865187
   0.56958257  0.55399417  0.40086099
   0.59046193  0.59278424  0.57663686
   0.85555052  0.69263881  0.78937474
   0.59691611  0.80403100  0.43287025
   0.88989717  0.94192442  0.84746555
   0.91603323  0.88574881  0.65988287
   0.67664342  0.88295629  0.72854621
   0.79226143  0.61196663  0.96535342
   0.54443967  0.63842554  0.90017112
   0.64529791  0.83219252  0.56512305
   0.64087624  0.88394647  0.46241066
   0.89304882  0.21024861  0.12376090
   0.77554467  0.45065677  0.33432855
   0.24382590  0.11255150  0.68584636
   0.24666171  0.70961006  0.76239918
   0.02555920  1.11200345  0.13652729
   0.13608709  1.02589656 -0.01604780
   0.62835492  0.39626821  0.85966157
   0.93802271  0.41494687  0.67975221
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891683    0.176068   -0.107195
    -0.000000    9.806704   -0.131439
    -0.000000    0.000000   13.917718
   Si   O    H 
    32    64    10
Direct configuration=   575
   0.14885917  0.16221901 -0.03080682
   0.40269663  0.08062377  0.37194204
   0.13441655  0.39176616  0.12709353
   0.38651966  0.33255540  0.24816371
   0.15349804  0.15583282  0.49364324
   0.39759647  0.12495075  0.86367396
   0.12260580  0.42447231  0.60388340
   0.33949832  0.38238817  0.75142900
   0.14122161  0.65745999  0.00263050
   0.41080508  0.58100851  0.36630464
   0.08008307  0.89887516  0.14599466
   0.34471879  0.82351488  0.24581034
   0.17027031  0.66808426  0.49104027
   0.38953837  0.61495611  0.87537956
   0.06015823  0.90728893  0.61083530
   0.30415101  0.97494271  0.70055413
   0.63024456  0.16021714  0.99905741
   0.89249381  0.11884968  0.38235301
   0.61943054  0.42284104  0.11981300
   0.88047308  0.30248172  0.20958016
   0.64907764  0.17237311  0.50004672
   0.88023555  0.10534361  0.87524844
   0.59054394  0.44079447  0.61697191
   0.75414202  0.35465953  0.79612386
   0.63514710  0.66413517 -0.00084153
   0.91282387  0.60932644  0.38297712
   0.57181223  0.91083562  0.12633829
   0.81779991  0.85617217  0.26379233
   0.64985841  0.65916152  0.47218883
   0.89453140  0.60374637  0.87882500
   0.59758522  0.92605594  0.62928446
   0.83063001  0.86076586  0.75675314
   0.10964848  0.05931312  0.13741010
   0.37623490  0.18415389  0.28183908
   0.10059413  0.30096968  0.03336699
   0.35576821  0.42329720  0.35322424
   0.52906047  0.37817860  0.20668857
   0.28971200  0.36692008  0.15686314
   0.29835094  0.10798065  0.45234217
   0.05416480  0.15815342  0.40084304
   0.07100731  0.07658596  0.57542416
   0.41734609  0.23132468  0.77292427
   0.19178545  0.30609395  0.53522361
   0.34735621  0.45611507  0.85590746
   0.44985076  0.43002606  0.67145219
   0.18695036  0.38602870  0.70793937
   0.30051215  0.20200043 -0.05130589
   0.04363637  0.14940423  0.87435729
   0.10551228  0.54424759  0.08045102
   0.40360439  0.66754373  0.26308093
   0.09716294  0.81420861  0.04780629
   0.37368368  0.92021408  0.33890829
   0.41801798  0.87272923  0.14973491
   0.18131012  0.85716790  0.23690052
   0.32356300  0.65114009  0.45065420
   0.07897565  0.61087317  0.40252952
   0.17074267  0.58446791  0.58972214
   0.33807780  0.71328032  0.78642089
   0.10126546  0.81906924  0.50508676
   0.34537989  0.98577484  0.81418217
   0.43166199  0.92046766  0.63268241
   0.17744641  0.86723631  0.68617101
   0.29225231  0.66564092 -0.03595576
   0.05148952  0.64731596  0.90308782
   0.58481845  0.07851608  0.09702103
   0.83775904  0.19233064  0.28765340
   0.60937413  0.31764980  0.02941804
   0.86722858  0.45104769  0.35146618
   0.04125832  0.36486931  0.22438324
   0.76861457  0.42053798  0.17786298
   0.80699732  0.16128310  0.47218279
   0.54967861  0.09937751  0.41913587
   0.64860443  0.07212737  0.59036096
   0.79735013  0.19123117  0.79336742
   0.61082895  0.32279576  0.52911579
   0.88285740  0.44932797  0.83844209
   0.95027937  0.42851961  0.60807024
   0.71139814  0.39831767  0.68688311
   0.78894431  0.12354237  0.96594453
   0.54742827  0.10854744  0.90849193
   0.58275802  0.56508706  0.08438523
   0.84215444  0.69435778  0.29045021
   0.61644134  0.82744530  0.03106447
   0.85853271  0.94643510  0.36162682
   0.92144818  0.86248384  0.17627151
   0.66654811  0.87209240  0.21869537
   0.81433601  0.65877043  0.46965961
   0.56713319  0.55610899  0.40046571
   0.59150251  0.59328847  0.57560945
   0.85433846  0.69307010  0.78796948
   0.59713297  0.80624446  0.43356913
   0.88836542  0.94271725  0.84734363
   0.91491676  0.88687548  0.65958688
   0.67613245  0.88288270  0.72909250
   0.79416980  0.61261160  0.96577141
   0.54544352  0.63999226  0.89931130
   0.65185332  0.82462395  0.56327390
   0.64503600  0.89068898  0.46033684
   0.90171783  0.21121178  0.12431166
   0.77263566  0.44964425  0.33483602
   0.24553708  0.11153721  0.68241592
   0.24167774  0.71537280  0.76068721
   0.02717579  1.11767992  0.13970133
   0.13967941  1.02675405 -0.01278554
   0.63489954  0.39704563  0.85635692
   0.93850587  0.41018778  0.67610178
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892203    0.175824   -0.108080
    -0.000000    9.806837   -0.130065
    -0.000000    0.000000   13.918444
   Si   O    H 
    32    64    10
Direct configuration=   576
   0.14888694  0.16297168 -0.03088905
   0.40265002  0.07915868  0.37113854
   0.13454582  0.39328433  0.12655829
   0.38641857  0.33201460  0.24720248
   0.15372648  0.15738064  0.49353115
   0.39817443  0.12578232  0.86277844
   0.12230790  0.42245828  0.60428342
   0.33901319  0.38255806  0.75155856
   0.14148519  0.65860101  0.00259033
   0.41175141  0.58077765  0.36764434
   0.08023859  0.90013040  0.14585714
   0.34537634  0.82428133  0.24569857
   0.17046327  0.66812115  0.49061170
   0.39092022  0.61646632  0.87616814
   0.05963009  0.90725417  0.61090267
   0.30502026  0.97551726  0.70065970
   0.62930395  0.16179875  0.99887910
   0.89270479  0.11842038  0.38181793
   0.61951797  0.42173714  0.11953070
   0.88138632  0.30282530  0.20850957
   0.65054411  0.17281915  0.49970733
   0.88062226  0.10497609  0.87597358
   0.59183393  0.44088140  0.61661539
   0.75357850  0.35405200  0.79501716
   0.63470630  0.66542918 -0.00063027
   0.91268873  0.61054719  0.38311799
   0.57197493  0.91046147  0.12620695
   0.81744421  0.85503680  0.26404143
   0.65040766  0.65832190  0.47270372
   0.89429202  0.60375717  0.87748384
   0.59814306  0.92608398  0.62836497
   0.83124072  0.85916268  0.75619365
   0.10882869  0.06093249  0.13851147
   0.37617423  0.18303726  0.28161838
   0.10001158  0.30026263  0.03370056
   0.35494757  0.42438784  0.35426048
   0.52814690  0.37787636  0.20649490
   0.28990427  0.36708967  0.15686125
   0.29788680  0.10681016  0.45168830
   0.05645608  0.15885928  0.39995603
   0.07156213  0.07669331  0.57556852
   0.41735631  0.23203983  0.77378091
   0.19241892  0.30422550  0.53551066
   0.34718790  0.45502283  0.85491408
   0.45027554  0.43023487  0.67129730
   0.18799480  0.38397854  0.70672527
   0.30280961  0.20142823 -0.05107955
   0.04276053  0.14807562  0.87472863
   0.10581821  0.54521572  0.08033941
   0.40341041  0.66890162  0.26429921
   0.09605036  0.81568023  0.04762677
   0.37184272  0.92139840  0.33911318
   0.41735444  0.87046255  0.14989876
   0.18110031  0.85870265  0.23657453
   0.32274724  0.65002301  0.45037522
   0.08038932  0.61211587  0.40276452
   0.17181100  0.58373880  0.59065595
   0.33777590  0.71581360  0.78579238
   0.10004539  0.82011670  0.50640066
   0.34449136  0.98422897  0.81468126
   0.43163424  0.92046364  0.63215503
   0.17774872  0.86528190  0.68574604
   0.29361964  0.66318395 -0.03567612
   0.05289417  0.64898844  0.90376294
   0.58482051  0.07692199  0.09707623
   0.83777505  0.19207691  0.28751593
   0.61029977  0.31708683  0.02939112
   0.86739056  0.45117108  0.35006242
   0.04156956  0.36514928  0.22376758
   0.76995765  0.41919662  0.17805136
   0.80790919  0.16183117  0.47237054
   0.54844793  0.09956144  0.41731511
   0.64787241  0.07069812  0.59142250
   0.79683058  0.19200276  0.79292840
   0.61227532  0.32389399  0.52992900
   0.88317695  0.44885800  0.83928474
   0.95232280  0.42857630  0.60725619
   0.71229791  0.39909429  0.68884404
   0.78775986  0.12113084  0.96635487
   0.54731101  0.10922493  0.90774922
   0.58351067  0.56722141  0.08509828
   0.84191080  0.69469125  0.29254601
   0.61582080  0.82719473  0.02962077
   0.85997426  0.94600418  0.36308172
   0.92275416  0.86433448  0.17646346
   0.66697871  0.87364545  0.21726882
   0.81478950  0.66128521  0.47092927
   0.56499883  0.55876056  0.40042139
   0.59214736  0.59326840  0.57523985
   0.85306995  0.69446525  0.78614369
   0.59694813  0.80827100  0.43448541
   0.88759964  0.94300956  0.84744724
   0.91365844  0.88832909  0.65918874
   0.67465509  0.88248674  0.72947833
   0.79503590  0.61366879  0.96706576
   0.54609228  0.64156806  0.89883174
   0.65627351  0.81782630  0.56336499
   0.64718585  0.89245496  0.45636261
   0.90994547  0.21436104  0.12493162
   0.76828657  0.44975838  0.33456006
   0.24850645  0.11231286  0.67911758
   0.24627271  0.72187888  0.76245227
   0.02707543  1.12538864  0.14289623
   0.14495750  1.01941830 -0.00672510
   0.64521912  0.39513786  0.85368110
   0.93817610  0.40862979  0.67342458
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892964    0.174699   -0.109219
    -0.000000    9.806707   -0.128747
    -0.000000    0.000000   13.918844
   Si   O    H 
    32    64    10
Direct configuration=   577
   0.14891513  0.16326358 -0.03067178
   0.40247829  0.07747846  0.37024745
   0.13484744  0.39502379  0.12572961
   0.38621654  0.33180179  0.24670807
   0.15274893  0.15872536  0.49340666
   0.39847213  0.12675794  0.86228718
   0.12179871  0.42005448  0.60470915
   0.33849597  0.38255041  0.75163088
   0.14154618  0.65994952  0.00246131
   0.41258292  0.58047572  0.36866641
   0.08023461  0.90072697  0.14586185
   0.34560989  0.82497172  0.24570393
   0.17020481  0.66806638  0.49024693
   0.39188737  0.61757834  0.87689277
   0.05907558  0.90723279  0.61101353
   0.30550492  0.97612229  0.70041628
   0.62873624  0.16267967  0.99835913
   0.89285962  0.11721782  0.38142920
   0.61934177  0.42025951  0.11911145
   0.88201362  0.30321106  0.20719229
   0.65207659  0.17314712  0.49929702
   0.88064943  0.10451312  0.87683498
   0.59291887  0.44135216  0.61581828
   0.75358012  0.35311324  0.79387250
   0.63508305  0.66710923 -0.00047954
   0.91224553  0.61137539  0.38336879
   0.57223268  0.91067571  0.12607360
   0.81753174  0.85462956  0.26441287
   0.65106336  0.65721615  0.47341205
   0.89434140  0.60383002  0.87606049
   0.59877265  0.92597289  0.62756329
   0.83181993  0.85811796  0.75537927
   0.10777719  0.06230498  0.13945357
   0.37607537  0.18112840  0.28099415
   0.09965477  0.29918430  0.03390641
   0.35511338  0.42554637  0.35483744
   0.52707678  0.37741035  0.20602522
   0.28983665  0.36786752  0.15613562
   0.29680824  0.10566352  0.45065361
   0.05802223  0.15997150  0.39949986
   0.07245491  0.07571402  0.57582176
   0.41715706  0.23246215  0.77457230
   0.19259874  0.30295426  0.53626002
   0.34753959  0.45468290  0.85390569
   0.45040022  0.43124884  0.67139133
   0.18822919  0.38151853  0.70584034
   0.30627595  0.20044470 -0.05143683
   0.04206883  0.14715952  0.87488848
   0.10589496  0.54617502  0.08070328
   0.40302342  0.67034396  0.26544526
   0.09493182  0.81669168  0.04714691
   0.37116875  0.92224867  0.33881932
   0.41698075  0.86949311  0.14972765
   0.18005975  0.85958683  0.23593843
   0.32217019  0.64931900  0.44996060
   0.08088415  0.61303253  0.40262190
   0.17173597  0.58285150  0.59122192
   0.33819674  0.71854965  0.78531672
   0.09857619  0.82173465  0.50763777
   0.34394975  0.98350874  0.81559341
   0.43188349  0.92048555  0.63191190
   0.17804115  0.86421777  0.68564564
   0.29529984  0.66120646 -0.03502109
   0.05407457  0.65082065  0.90450522
   0.58470037  0.07501444  0.09722925
   0.83701664  0.19226084  0.28808043
   0.61066686  0.31679073  0.02936732
   0.86757759  0.45032914  0.34869564
   0.04166292  0.36502453  0.22223109
   0.77104797  0.41710345  0.17779457
   0.80823990  0.16303948  0.47268797
   0.54755548  0.10057111  0.41586693
   0.64700276  0.07043887  0.59323001
   0.79661957  0.19247834  0.79253309
   0.61364275  0.32546396  0.53043143
   0.88435600  0.44872441  0.83951776
   0.95486543  0.42852609  0.60611197
   0.71279761  0.40018201  0.69079417
   0.78665704  0.11928876  0.96714770
   0.54724346  0.10901791  0.90641881
   0.58364032  0.57014496  0.08524657
   0.84156655  0.69527116  0.29421436
   0.61536430  0.82616254  0.02859032
   0.86123695  0.94615861  0.36436459
   0.92349234  0.86632725  0.17697497
   0.66758552  0.87496557  0.21667617
   0.81537786  0.66337295  0.47185029
   0.56415016  0.56078455  0.40009223
   0.59345086  0.59367122  0.57496978
   0.85150062  0.69600474  0.78447940
   0.59680047  0.81021515  0.43489060
   0.88655270  0.94317642  0.84741660
   0.91261890  0.88916528  0.65894420
   0.67412393  0.88219528  0.72959151
   0.79543744  0.61504033  0.96887356
   0.54758458  0.64297433  0.89800809
   0.66083458  0.81299768  0.56826145
   0.64234924  0.88732872  0.45123783
   0.91104618  0.21698098  0.12390621
   0.76659308  0.45322669  0.33647697
   0.25108476  0.10723433  0.67708929
   0.24853590  0.72625012  0.76640903
   0.03232728  1.12855710  0.14655494
   0.15451579  1.01472700  0.00042041
   0.64922746  0.39523114  0.85563204
   0.93723184  0.40684845  0.67384224
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893520    0.173559   -0.110511
    -0.000000    9.806621   -0.127251
    -0.000000    0.000000   13.919004
   Si   O    H 
    32    64    10
Direct configuration=   578
   0.14866827  0.16369201 -0.02995847
   0.40175782  0.07557563  0.36920947
   0.13534620  0.39678459  0.12519724
   0.38555539  0.33207936  0.24636991
   0.15218357  0.15997965  0.49353112
   0.39826225  0.12772713  0.86214241
   0.12130144  0.41757104  0.60492140
   0.33840374  0.38264263  0.75176320
   0.14186661  0.66183043  0.00201313
   0.41344521  0.58004698  0.36922748
   0.08028271  0.90133343  0.14567986
   0.34503273  0.82542163  0.24548332
   0.17006716  0.66816380  0.49021188
   0.39224217  0.61935596  0.87752078
   0.05850457  0.90824949  0.61080930
   0.30611320  0.97647765  0.70017510
   0.62865128  0.16291629  0.99813632
   0.89298075  0.11595330  0.38122787
   0.61948224  0.41870413  0.11881697
   0.88267827  0.30360579  0.20654777
   0.65291388  0.17355066  0.49879881
   0.88075152  0.10429818  0.87750317
   0.59469027  0.44134550  0.61479596
   0.75317174  0.35263758  0.79248505
   0.63618079  0.66827959 -0.00053429
   0.91242915  0.61205760  0.38317921
   0.57210717  0.91084324  0.12645594
   0.81744333  0.85428784  0.26477829
   0.65129523  0.65644930  0.47377804
   0.89460534  0.60365869  0.87445490
   0.59921499  0.92546853  0.62732349
   0.83207887  0.85662178  0.75458443
   0.10756548  0.06368961  0.14036064
   0.37658450  0.17852169  0.28031769
   0.09879656  0.29897188  0.03412793
   0.35514646  0.42660047  0.35488140
   0.52651523  0.37741504  0.20525122
   0.28918839  0.36873575  0.15609493
   0.29586485  0.10439280  0.44999363
   0.05933457  0.16101093  0.39903825
   0.07301380  0.07600898  0.57603102
   0.41565249  0.23256981  0.77480772
   0.19274700  0.30263669  0.53712148
   0.34926266  0.45577355  0.85307313
   0.45058023  0.43212494  0.67120570
   0.18860863  0.37872986  0.70522319
   0.30880405  0.19985362 -0.05199163
   0.04058692  0.14635060  0.87498393
   0.10520980  0.54772035  0.08061385
   0.40200731  0.67219613  0.26697638
   0.09425861  0.81760535  0.04687244
   0.37121541  0.92314608  0.33852769
   0.41671764  0.86901168  0.14934937
   0.17950782  0.86077968  0.23556095
   0.32164893  0.64923627  0.45000661
   0.08089074  0.61333750  0.40233681
   0.17125640  0.58197503  0.59134267
   0.33876773  0.72050597  0.78518520
   0.09749723  0.82366016  0.50892557
   0.34346215  0.98370003  0.81667928
   0.43232184  0.92122869  0.63175129
   0.17819533  0.86379727  0.68582161
   0.29668455  0.66059772 -0.03389390
   0.05437466  0.65271287  0.90477795
   0.58429033  0.07373940  0.09659390
   0.83683464  0.19249910  0.28798817
   0.61112584  0.31633043  0.02917173
   0.86750510  0.44954767  0.34780576
   0.04126059  0.36548471  0.22041165
   0.77071398  0.41513905  0.17698965
   0.80893837  0.16382488  0.47288081
   0.54745766  0.10091581  0.41423081
   0.64602376  0.07104119  0.59472823
   0.79583793  0.19348139  0.79194936
   0.61444895  0.32742031  0.53125510
   0.88572631  0.44819090  0.84039588
   0.95726063  0.42820464  0.60519899
   0.71327071  0.40119239  0.69206417
   0.78509802  0.11808766  0.96749466
   0.54738109  0.10917813  0.90622020
   0.58437279  0.57287582  0.08553898
   0.84168788  0.69571790  0.29525608
   0.61516130  0.82510209  0.02727176
   0.86228243  0.94645914  0.36490767
   0.92426100  0.86840331  0.17746678
   0.66833099  0.87662478  0.21592660
   0.81515573  0.66462559  0.47256246
   0.56456573  0.56247232  0.40004659
   0.59450452  0.59379991  0.57482156
   0.85051945  0.69712161  0.78255479
   0.59614089  0.81110373  0.43593029
   0.88609822  0.94281561  0.84832389
   0.91143025  0.88962813  0.65868410
   0.67299835  0.88266732  0.73003929
   0.79528238  0.61592472  0.97054016
   0.54918879  0.64434124  0.89761357
   0.66548238  0.81431340  0.57567953
   0.64645806  0.89254232  0.44769442
   0.91068442  0.21819135  0.12310104
   0.76781649  0.45734383  0.33776036
   0.25478320  0.10372329  0.67499458
   0.24112350  0.73108009  0.76607155
   0.03620294  1.12813325  0.14953036
   0.16223012  1.01907069  0.00169790
   0.64655621  0.39818946  0.86106957
   0.93583129  0.40481240  0.67241469
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894251    0.172948   -0.111912
    -0.000000    9.806772   -0.126065
    -0.000000    0.000000   13.919162
   Si   O    H 
    32    64    10
Direct configuration=   579
   0.14924791  0.16356626 -0.02931385
   0.40037804  0.07375294  0.36821624
   0.13565564  0.39852260  0.12504790
   0.38527917  0.33201231  0.24653004
   0.15227231  0.16090258  0.49360854
   0.39811429  0.12800812  0.86265899
   0.12094297  0.41551694  0.60480899
   0.33901114  0.38247449  0.75149641
   0.14225516  0.66356255  0.00170291
   0.41376004  0.57925774  0.36963034
   0.07988878  0.90230055  0.14523454
   0.34435370  0.82570936  0.24501376
   0.16981364  0.66805353  0.49035821
   0.39210875  0.62141963  0.87838057
   0.05808997  0.90944722  0.61026321
   0.30713950  0.97607023  0.69958237
   0.62903048  0.16275860  0.99852292
   0.89373762  0.11509627  0.38115976
   0.61974865  0.41777736  0.11837542
   0.88287058  0.30441508  0.20652993
   0.65282301  0.17334862  0.49891954
   0.88097628  0.10407331  0.87743034
   0.59607496  0.44149410  0.61394769
   0.75252812  0.35197018  0.79149826
   0.63723371  0.66892982 -0.00091349
   0.91268820  0.61235245  0.38312600
   0.57156036  0.91141257  0.12613316
   0.81773553  0.85484573  0.26480559
   0.65120253  0.65607605  0.47463719
   0.89411378  0.60400399  0.87321777
   0.59951666  0.92424748  0.62710965
   0.83234203  0.85519553  0.75434373
   0.10805825  0.06483787  0.14080848
   0.37718895  0.17635200  0.27969913
   0.09790117  0.29890465  0.03403084
   0.35553001  0.42776733  0.35380586
   0.52651258  0.37679786  0.20503754
   0.28817268  0.36971781  0.15574403
   0.29474566  0.10369013  0.44962648
   0.05990027  0.16175816  0.39854478
   0.07389551  0.07586076  0.57673120
   0.41420611  0.23248102  0.77455983
   0.19329425  0.30286926  0.53804891
   0.35070633  0.45771580  0.85251144
   0.45046774  0.43305595  0.67075243
   0.18926807  0.37579647  0.70494139
   0.31129167  0.19965727 -0.05242692
   0.03957263  0.14557067  0.87516558
   0.10495488  0.54933398  0.08040771
   0.40083222  0.67367689  0.26816033
   0.09435061  0.81773542  0.04686939
   0.37116577  0.92420393  0.33823184
   0.41675794  0.86844424  0.14883488
   0.17990337  0.86197880  0.23527826
   0.32165370  0.64885850  0.45002080
   0.08023786  0.61430424  0.40185660
   0.17038076  0.58081727  0.59068386
   0.33883091  0.72186161  0.78516136
   0.09709966  0.82570933  0.51003756
   0.34250016  0.98375144  0.81709446
   0.43349780  0.92243337  0.63145794
   0.17863027  0.86375494  0.68640776
   0.29740426  0.65950247 -0.03239735
   0.05493079  0.65381125  0.90461466
   0.58385381  0.07202221  0.09619215
   0.83629635  0.19269257  0.28820823
   0.61098246  0.31572481  0.02917212
   0.86679997  0.44942816  0.34731280
   0.04075678  0.36643446  0.21833322
   0.76943645  0.41316217  0.17693373
   0.80901233  0.16473579  0.47278217
   0.54741833  0.10279058  0.41298191
   0.64515249  0.07181981  0.59602206
   0.79590287  0.19446348  0.79141363
   0.61462395  0.32929755  0.53206400
   0.88683043  0.44708219  0.84118719
   0.95995538  0.42803112  0.60408269
   0.71432009  0.40300822  0.69277654
   0.78297653  0.11751244  0.96846902
   0.54684488  0.10880538  0.90625759
   0.58458192  0.57470189  0.08594907
   0.84254172  0.69612429  0.29645069
   0.61543066  0.82415138  0.02624160
   0.86325789  0.94741265  0.36584862
   0.92515480  0.87010276  0.17796645
   0.66925236  0.87841198  0.21552578
   0.81443607  0.66513890  0.47317517
   0.56538317  0.56235993  0.40013091
   0.59614986  0.59328962  0.57429019
   0.84927126  0.69735288  0.78030138
   0.59639548  0.81056426  0.43597933
   0.88498251  0.94217752  0.84933689
   0.91030023  0.88971604  0.65812194
   0.67189213  0.88325012  0.73081528
   0.79466320  0.61672731  0.97204092
   0.55077237  0.64502928  0.89754288
   0.66979936  0.81740319  0.58182881
   0.65285601  0.89717483  0.44568533
   0.90756302  0.21428579  0.12236484
   0.76944568  0.46264365  0.33716376
   0.25716120  0.10766069  0.67240117
   0.23823441  0.73371041  0.76702613
   0.03624233  1.13229297  0.15353920
   0.16747173  1.02458968 -0.00080795
   0.64305731  0.40031170  0.86573267
   0.93428686  0.40307393  0.66912500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894843    0.172806   -0.113422
    -0.000000    9.806977   -0.124796
    -0.000000    0.000000   13.919314
   Si   O    H 
    32    64    10
Direct configuration=   580
   0.15016097  0.16382902 -0.02844629
   0.39916856  0.07218545  0.36734029
   0.13612132  0.39977462  0.12468554
   0.38472706  0.33239702  0.24674291
   0.15248546  0.16114902  0.49402140
   0.39805209  0.12794728  0.86343692
   0.12070210  0.41416641  0.60459510
   0.34013529  0.38245207  0.75103315
   0.14273639  0.66570554  0.00140894
   0.41395172  0.57832940  0.37002960
   0.07918118  0.90237931  0.14509955
   0.34374296  0.82586075  0.24498033
   0.16981021  0.66778348  0.49086380
   0.39248489  0.62342189  0.87872897
   0.05750537  0.91159457  0.60983738
   0.30810447  0.97605960  0.69937723
   0.62881525  0.16193970  0.99897068
   0.89454171  0.11487899  0.38159708
   0.62002199  0.41792807  0.11806036
   0.88355974  0.30501375  0.20658735
   0.65223963  0.17266962  0.49910900
   0.88054046  0.10397399  0.87689915
   0.59638958  0.44148000  0.61294793
   0.75148043  0.35121847  0.79103096
   0.63816257  0.66932126 -0.00195382
   0.91281488  0.61201700  0.38273711
   0.57118637  0.91155227  0.12558656
   0.81812117  0.85519676  0.26470911
   0.65076396  0.65645603  0.47569451
   0.89329918  0.60412406  0.87231592
   0.59970752  0.92261136  0.62755049
   0.83244187  0.85307167  0.75409676
   0.10834642  0.06630958  0.14100855
   0.37697904  0.17476099  0.27916756
   0.09789321  0.29810130  0.03348620
   0.35671573  0.42794282  0.35253027
   0.52733661  0.37468763  0.20468166
   0.28735658  0.37148599  0.15588674
   0.29293738  0.10313203  0.44966845
   0.05939546  0.16214929  0.39842779
   0.07454138  0.07432613  0.57757209
   0.41209868  0.23227886  0.77444542
   0.19400204  0.30360421  0.53866489
   0.35196690  0.46014985  0.85232855
   0.45057465  0.43456568  0.66983457
   0.19076144  0.37295512  0.70542272
   0.31228781  0.19880958 -0.05289728
   0.03936360  0.14587349  0.87521413
   0.10492831  0.55077777  0.08024559
   0.40114389  0.67553436  0.26895767
   0.09495992  0.81737215  0.04630845
   0.37055445  0.92437373  0.33838142
   0.41741049  0.86870608  0.14802749
   0.17974381  0.86201866  0.23496613
   0.32135385  0.64890862  0.45012818
   0.07835670  0.61596798  0.40172981
   0.16982009  0.57919444  0.59068406
   0.33987382  0.72346150  0.78493804
   0.09714836  0.82670224  0.51178228
   0.34245048  0.98444381  0.81765118
   0.43554806  0.92335102  0.63175583
   0.17922552  0.86436190  0.68736022
   0.29831593  0.65818870 -0.03108161
   0.05535140  0.65412445  0.90434128
   0.58361422  0.07087592  0.09565814
   0.83522665  0.19371218  0.28846805
   0.61139486  0.31503271  0.02940953
   0.86716782  0.45043068  0.34716846
   0.03993657  0.36678126  0.21668552
   0.76724039  0.41101963  0.17697543
   0.80947973  0.16582830  0.47232882
   0.54824619  0.10503183  0.41237683
   0.64403548  0.07390614  0.59647842
   0.79592444  0.19465821  0.79161541
   0.61418484  0.33004909  0.53283285
   0.88776194  0.44571614  0.84188162
   0.96313077  0.42755983  0.60288587
   0.71583628  0.40447696  0.69329984
   0.78139212  0.11741329  0.96976246
   0.54657730  0.10839027  0.90608219
   0.58458586  0.57573957  0.08623800
   0.84316780  0.69630420  0.29740776
   0.61666705  0.82428876  0.02490575
   0.86415324  0.94861827  0.36629252
   0.92513210  0.87232555  0.17828919
   0.66996049  0.88058698  0.21551359
   0.81339807  0.66585072  0.47373243
   0.56636307  0.56236030  0.40003099
   0.59840609  0.59302804  0.57401869
   0.84846211  0.69768845  0.77858495
   0.59735797  0.81019638  0.43579657
   0.88428879  0.94106105  0.85039506
   0.90956819  0.89073158  0.65765309
   0.67102322  0.88389991  0.73130160
   0.79345695  0.61713483  0.97315810
   0.55187377  0.64563041  0.89802932
   0.67156484  0.81905476  0.58496777
   0.65283531  0.89095380  0.44361699
   0.90078565  0.20845157  0.12258546
   0.76806641  0.46755774  0.33681214
   0.25907781  0.11365891  0.66952347
   0.24113287  0.73804075  0.76755732
   0.03803935  1.13436586  0.15920613
   0.17300987  1.03140402 -0.00356157
   0.64009826  0.39901522  0.86591992
   0.93187541  0.40426612  0.66510359
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895301    0.172288   -0.115742
    -0.000000    9.807308   -0.123949
    -0.000000    0.000000   13.919515
   Si   O    H 
    32    64    10
Direct configuration=   581
   0.15152608  0.16443831 -0.02788514
   0.39838548  0.07108152  0.36624798
   0.13669005  0.40076387  0.12388005
   0.38364653  0.33237251  0.24727869
   0.15264590  0.16098631  0.49439942
   0.39711642  0.12790427  0.86447588
   0.12080219  0.41410803  0.60451143
   0.34166837  0.38222350  0.75033439
   0.14306423  0.66805025  0.00156780
   0.41386533  0.57750268  0.37028749
   0.07852379  0.90291494  0.14457263
   0.34337316  0.82589631  0.24483765
   0.16983365  0.66795958  0.49128370
   0.39252033  0.62554550  0.87849563
   0.05674619  0.91312949  0.60958309
   0.30854211  0.97696855  0.69943572
   0.62835202  0.16056457  0.99973823
   0.89621052  0.11424139  0.38216351
   0.62073688  0.41830053  0.11816258
   0.88418168  0.30547837  0.20711241
   0.65114486  0.17214775  0.49888581
   0.88002214  0.10400217  0.87620419
   0.59663474  0.44208246  0.61195895
   0.75074687  0.35069351  0.79106384
   0.63924237  0.66896234 -0.00312843
   0.91277341  0.61219887  0.38279645
   0.57071882  0.91137602  0.12524865
   0.81944405  0.85554327  0.26411123
   0.65083087  0.65678360  0.47608966
   0.89230790  0.60401578  0.87173816
   0.60016374  0.92109422  0.62792584
   0.83220510  0.85190216  0.75368019
   0.10956090  0.06780881  0.14078457
   0.37628271  0.17339451  0.27826557
   0.09826877  0.29763360  0.03284237
   0.35858791  0.42804019  0.35018655
   0.52796862  0.37267966  0.20418264
   0.28560495  0.37331132  0.15609557
   0.29075645  0.10182327  0.44968889
   0.05826853  0.16217819  0.39812024
   0.07553270  0.07265588  0.57844107
   0.40992377  0.23183876  0.77467238
   0.19491630  0.30410377  0.53914900
   0.35342833  0.46284970  0.85229564
   0.45083927  0.43583105  0.66886163
   0.19154003  0.37104632  0.70527641
   0.31259314  0.19840071 -0.05296252
   0.03934973  0.14613370  0.87502254
   0.10532965  0.55217605  0.07999630
   0.40095148  0.67652633  0.27001469
   0.09512759  0.81703895  0.04540406
   0.37032626  0.92391924  0.33826657
   0.41775656  0.86848171  0.14717559
   0.17966710  0.86183626  0.23440947
   0.32222891  0.64934618  0.45047628
   0.07516634  0.61713274  0.40126063
   0.16922478  0.57756839  0.59026012
   0.34114068  0.72439168  0.78456217
   0.09666211  0.82708116  0.51310380
   0.34232701  0.98466034  0.81811245
   0.43637072  0.92378684  0.63204083
   0.17973107  0.86512221  0.68795812
   0.29894333  0.65783831 -0.03045618
   0.05493746  0.65413586  0.90387198
   0.58330688  0.06980509  0.09489137
   0.83436708  0.19504352  0.28859266
   0.61196662  0.31437435  0.02963425
   0.86803665  0.45164801  0.34717831
   0.03912954  0.36752563  0.21518508
   0.76492990  0.40936537  0.17620630
   0.80965895  0.16696515  0.47137788
   0.54890184  0.10735256  0.41224480
   0.64299884  0.07583812  0.59619408
   0.79675796  0.19416906  0.79254376
   0.61505021  0.33054590  0.53295034
   0.88794807  0.44389053  0.84229216
   0.96578891  0.42709599  0.60166148
   0.71768922  0.40597312  0.69313954
   0.78022048  0.11810674  0.97067737
   0.54680174  0.10871019  0.90606525
   0.58505271  0.57730621  0.08617316
   0.84378871  0.69763173  0.29796237
   0.61789649  0.82463011  0.02453907
   0.86517165  0.94987694  0.36629248
   0.92510985  0.87446928  0.17879617
   0.67020184  0.88290093  0.21543474
   0.81313671  0.66616452  0.47392802
   0.56773779  0.56183687  0.39976605
   0.60114262  0.59295361  0.57475286
   0.84759864  0.69737216  0.77757284
   0.59768769  0.80963961  0.43526171
   0.88308797  0.94052897  0.85063500
   0.90999972  0.89116809  0.65744257
   0.66952348  0.88457727  0.73202264
   0.79210692  0.61744919  0.97344983
   0.55273160  0.64548884  0.89855013
   0.67104711  0.81353964  0.58226140
   0.65362124  0.88037077  0.44154884
   0.89446399  0.20339227  0.12377370
   0.76848185  0.46919320  0.33601229
   0.26210728  0.11675459  0.66711044
   0.24998748  0.74070074  0.76864726
   0.04163073  1.13599793  0.16253153
   0.17809773  1.02936193 -0.00552978
   0.64117495  0.39623643  0.86498161
   0.92461536  0.40210212  0.66326901
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895627    0.172224   -0.118060
    -0.000000    9.807338   -0.122555
    -0.000000    0.000000   13.919325
   Si   O    H 
    32    64    10
Direct configuration=   582
   0.15317027  0.16499937 -0.02755907
   0.39801936  0.07140640  0.36567959
   0.13677316  0.40208823  0.12285984
   0.38298443  0.33217300  0.24835559
   0.15343756  0.16007972  0.49496489
   0.39662014  0.12803586  0.86576261
   0.12140444  0.41491862  0.60474120
   0.34338163  0.38242428  0.74949508
   0.14365440  0.67005474  0.00168305
   0.41380833  0.57683658  0.37036501
   0.07827446  0.90369992  0.14408330
   0.34340353  0.82587775  0.24467996
   0.16937105  0.66870946  0.49201947
   0.39187057  0.62756039  0.87806923
   0.05611534  0.91460853  0.60921699
   0.30939508  0.97749357  0.69934801
   0.62754434  0.15872655  1.00050396
   0.89761115  0.11442779  0.38241677
   0.62147731  0.41887197  0.11834505
   0.88464573  0.30574976  0.20749806
   0.64986274  0.17183156  0.49861323
   0.87932608  0.10371518  0.87565811
   0.59686125  0.44191774  0.61119300
   0.75020017  0.35044334  0.79156273
   0.64008816  0.66858492 -0.00424295
   0.91319419  0.61259919  0.38275760
   0.57047212  0.91184106  0.12502387
   0.82071224  0.85621371  0.26354740
   0.65114055  0.65690774  0.47653233
   0.89101952  0.60439040  0.87132792
   0.60058313  0.92045757  0.62822202
   0.83204089  0.85168000  0.75380428
   0.11013652  0.06844497  0.14092486
   0.37495789  0.17196336  0.27717263
   0.09833564  0.29741539  0.03193283
   0.36101563  0.42722065  0.34720516
   0.52845306  0.37094018  0.20391205
   0.28446477  0.37560723  0.15630631
   0.28803592  0.10163633  0.44943989
   0.05509548  0.16154100  0.39755414
   0.07600231  0.07131311  0.57929104
   0.40801425  0.23130159  0.77477949
   0.19632905  0.30451826  0.53934260
   0.35446421  0.46624475  0.85185487
   0.45188549  0.43653685  0.66776790
   0.19249372  0.36913278  0.70493881
   0.31274388  0.19907999 -0.05268106
   0.03974353  0.14658800  0.87504471
   0.10625435  0.55280909  0.07949649
   0.40139784  0.67731237  0.27127032
   0.09451586  0.81658200  0.04489883
   0.37041765  0.92306470  0.33847858
   0.41782504  0.86829773  0.14650951
   0.17954539  0.86118092  0.23311724
   0.32311079  0.65011046  0.45121382
   0.07268059  0.61793789  0.40071771
   0.16776277  0.57645311  0.58974452
   0.34226715  0.72412776  0.78462329
   0.09682243  0.82688046  0.51479689
   0.34212719  0.98450130  0.81739024
   0.43689863  0.92402267  0.63260559
   0.17939659  0.86669398  0.68875203
   0.29930981  0.65825766 -0.02956575
   0.05312614  0.65317354  0.90296918
   0.58358998  0.06943697  0.09396690
   0.83368248  0.19666937  0.28920167
   0.61185949  0.31449919  0.03012486
   0.86850022  0.45282415  0.34725683
   0.03779583  0.36731965  0.21393525
   0.76306266  0.40818353  0.17585431
   0.81014806  0.16894117  0.47048762
   0.55023063  0.10996446  0.41211294
   0.64234110  0.07720583  0.59569888
   0.79778055  0.19358291  0.79314422
   0.61577226  0.33115543  0.53254491
   0.88759180  0.44113533  0.84251713
   0.96672971  0.42681669  0.60138568
   0.71824545  0.40726856  0.69221261
   0.77937572  0.11856506  0.97141691
   0.54740513  0.10839770  0.90612954
   0.58566520  0.57857517  0.08607360
   0.84401853  0.69910879  0.29849164
   0.61805657  0.82539918  0.02438541
   0.86533776  0.95109660  0.36589328
   0.92525096  0.87598377  0.17940664
   0.67068767  0.88493278  0.21519379
   0.81319338  0.66615387  0.47395104
   0.56919375  0.56133714  0.39976109
   0.60329076  0.59307941  0.57478830
   0.84673831  0.69537379  0.77713997
   0.59696033  0.80777306  0.43462748
   0.88258420  0.94001576  0.84999326
   0.91005503  0.89220025  0.65766918
   0.66773830  0.88546118  0.73273710
   0.79061649  0.61792341  0.97310965
   0.55269375  0.64452512  0.89870702
   0.66874936  0.80883828  0.57925737
   0.66596924  0.88493371  0.44163324
   0.88912639  0.20516800  0.12367916
   0.77182568  0.46991826  0.33587359
   0.26630928  0.11444568  0.66546158
   0.24707286  0.74402832  0.76759124
   0.04203233  1.13574529  0.16557666
   0.18447450  1.01902585 -0.00413214
   0.64729481  0.39234423  0.86129195
   0.91508328  0.40079868  0.66032404
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895791    0.172657   -0.120738
    -0.000000    9.807527   -0.120799
    -0.000000    0.000000   13.918518
   Si   O    H 
    32    64    10
Direct configuration=   583
   0.15359537  0.16544908 -0.02757779
   0.39770053  0.07238225  0.36566621
   0.13684315  0.40347546  0.12183865
   0.38230292  0.33197190  0.24912221
   0.15380815  0.15885359  0.49562876
   0.39550699  0.12830280  0.86654097
   0.12274835  0.41585220  0.60490091
   0.34508619  0.38273007  0.74855584
   0.14390368  0.67183158  0.00141699
   0.41356633  0.57631416  0.37040056
   0.07776815  0.90440002  0.14408104
   0.34331528  0.82638526  0.24446793
   0.16836921  0.66938865  0.49239392
   0.39139161  0.62942164  0.87726753
   0.05590293  0.91539647  0.60923555
   0.30987811  0.97783633  0.69940085
   0.62688889  0.15678029  1.00120905
   0.89813008  0.11476781  0.38240029
   0.62160273  0.41896673  0.11847513
   0.88507988  0.30502558  0.20749299
   0.64904083  0.17154361  0.49860937
   0.87885865  0.10373007  0.87532913
   0.59722792  0.44136573  0.61093353
   0.74932673  0.35062345  0.79246601
   0.64045613  0.66795286 -0.00536161
   0.91379151  0.61321489  0.38279238
   0.57084568  0.91254654  0.12433957
   0.82137161  0.85734865  0.26283671
   0.65138173  0.65716979  0.47683327
   0.89011196  0.60486593  0.87084132
   0.60081103  0.91952110  0.62866369
   0.83204318  0.85113282  0.75386243
   0.11045769  0.06937793  0.14145839
   0.37397859  0.17094533  0.27587342
   0.09863301  0.29753628  0.03115481
   0.36329769  0.42579293  0.34487735
   0.52862616  0.36856994  0.20414146
   0.28453692  0.37688002  0.15704836
   0.28561166  0.10121370  0.44930783
   0.05156436  0.16107694  0.39750369
   0.07565904  0.07073102  0.58037473
   0.40602703  0.23081252  0.77479856
   0.19708614  0.30481133  0.53888969
   0.35557874  0.46929581  0.85092539
   0.45284224  0.43642381  0.66693719
   0.19338224  0.36764431  0.70464468
   0.31340991  0.19944027 -0.05278939
   0.03997205  0.14800885  0.87542484
   0.10717437  0.55441350  0.07879647
   0.40242122  0.67671223  0.27284038
   0.09306335  0.81658512  0.04413579
   0.37062785  0.92211200  0.33824282
   0.41849748  0.86844687  0.14609921
   0.17960311  0.85991975  0.23197709
   0.32372996  0.65063865  0.45173540
   0.06988204  0.61894537  0.40124499
   0.16665851  0.57606487  0.58919482
   0.34431099  0.72341733  0.78476725
   0.09665824  0.82580724  0.51628907
   0.34214754  0.98471520  0.81660109
   0.43787327  0.92437572  0.63337479
   0.17897273  0.86903869  0.68910250
   0.29992239  0.65863125 -0.02813264
   0.05168056  0.65230729  0.90181032
   0.58423428  0.06867268  0.09385738
   0.83312627  0.19807595  0.28947733
   0.61165706  0.31544500  0.03014554
   0.86883984  0.45428737  0.34713405
   0.03682626  0.36756913  0.21228663
   0.76184396  0.40701617  0.17522285
   0.80978444  0.17099142  0.46929515
   0.55172217  0.11228682  0.41183918
   0.64225383  0.07790841  0.59479857
   0.79861508  0.19338529  0.79345058
   0.61655267  0.33078379  0.53132343
   0.88707361  0.43933035  0.84255572
   0.96678397  0.42593724  0.60180151
   0.71805840  0.40940446  0.69120763
   0.77969672  0.11780144  0.97217788
   0.54814138  0.10770287  0.90628227
   0.58617652  0.57966592  0.08598085
   0.84380078  0.70088262  0.29866290
   0.61807862  0.82687660  0.02471786
   0.86451151  0.95225710  0.36559176
   0.92574538  0.87822812  0.17969412
   0.67172759  0.88770364  0.21543428
   0.81340460  0.66512407  0.47379265
   0.57131085  0.56020739  0.39922673
   0.60444721  0.59341804  0.57500527
   0.84646468  0.69298376  0.77665329
   0.59708948  0.80716039  0.43456859
   0.88186929  0.93854354  0.84886825
   0.91112158  0.89303624  0.65801633
   0.66634058  0.88675900  0.73365289
   0.78902195  0.61880205  0.97236969
   0.55297436  0.64375563  0.89815788
   0.66729123  0.80252769  0.57547940
   0.67052997  0.88346502  0.44130596
   0.88884460  0.20733511  0.12550700
   0.77522253  0.47014481  0.33582252
   0.27211640  0.11054737  0.66514781
   0.24434838  0.74684795  0.76611244
   0.04044764  1.13073266  0.16385564
   0.18814307  1.00870241 -0.00616744
   0.65246993  0.39369902  0.85433854
   0.90956172  0.39909236  0.65149288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895930    0.173109   -0.123665
    -0.000000    9.808058   -0.119352
    -0.000000    0.000000   13.917619
   Si   O    H 
    32    64    10
Direct configuration=   584
   0.15442363  0.16540173 -0.02795765
   0.39734027  0.07368612  0.36590839
   0.13661734  0.40429703  0.12074228
   0.38135738  0.33246454  0.24972569
   0.15358702  0.15831340  0.49608301
   0.39458007  0.12812442  0.86694373
   0.12440415  0.41670937  0.60492533
   0.34625696  0.38292669  0.74737764
   0.14348962  0.67327045  0.00152112
   0.41231916  0.57646265  0.37034348
   0.07726461  0.90515464  0.14448473
   0.34297697  0.82798683  0.24418554
   0.16746967  0.67018557  0.49270795
   0.39103229  0.63118024  0.87630879
   0.05567518  0.91622973  0.60952377
   0.31002817  0.97793219  0.69933348
   0.62610717  0.15559945  1.00122975
   0.89803708  0.11542563  0.38186793
   0.62094373  0.41931729  0.11856926
   0.88511429  0.30392988  0.20745560
   0.64860220  0.17112446  0.49861115
   0.87843356  0.10425343  0.87498281
   0.59727628  0.44021386  0.61093499
   0.74919805  0.35079246  0.79395894
   0.63986066  0.66719126 -0.00614533
   0.91392569  0.61432002  0.38280360
   0.57069476  0.91341813  0.12346398
   0.82165724  0.85887893  0.26225254
   0.65150394  0.65721979  0.47729935
   0.88904379  0.60502828  0.87046370
   0.60101263  0.91887966  0.62919059
   0.83212370  0.85073389  0.75401588
   0.11102194  0.07091756  0.14180976
   0.37277916  0.16994457  0.27447793
   0.09856946  0.29793042  0.03074814
   0.36551646  0.42385022  0.34207710
   0.52841611  0.36547772  0.20418757
   0.28625454  0.37833670  0.15809134
   0.28344357  0.10061180  0.44958077
   0.04837563  0.16042755  0.39720773
   0.07518826  0.07085415  0.58140790
   0.40368529  0.23008631  0.77543042
   0.19788465  0.30505856  0.53815518
   0.35656186  0.47222686  0.85007439
   0.45368797  0.43560368  0.66595647
   0.19326253  0.36635115  0.70443193
   0.31308392  0.20025250 -0.05193049
   0.04027939  0.14922890  0.87595904
   0.10830111  0.55532477  0.07847036
   0.40306253  0.67615729  0.27492929
   0.09173361  0.81652763  0.04411284
   0.37168827  0.92111953  0.33761575
   0.41890164  0.86806970  0.14612698
   0.17946046  0.85920616  0.23118259
   0.32335418  0.65084893  0.45256053
   0.06799269  0.61958990  0.40154662
   0.16540789  0.57493446  0.58863260
   0.34585670  0.72288481  0.78488829
   0.09626643  0.82521403  0.51739187
   0.34275914  0.98481163  0.81566921
   0.43913385  0.92501249  0.63432549
   0.17846268  0.87181149  0.68908021
   0.30043532  0.65999868 -0.02654172
   0.05017597  0.65199164  0.90072661
   0.58504761  0.06775627  0.09400185
   0.83254446  0.19927417  0.28997058
   0.61139388  0.31661371  0.02980547
   0.86970100  0.45564137  0.34705797
   0.03564842  0.36774830  0.21144811
   0.76123542  0.40613255  0.17528005
   0.80995866  0.17333112  0.46818136
   0.55215809  0.11529479  0.41129005
   0.64205084  0.07919116  0.59408290
   0.79955787  0.19330723  0.79377152
   0.61745569  0.32934938  0.53032836
   0.88622007  0.43802386  0.84226488
   0.96702232  0.42522141  0.60198121
   0.71835707  0.41109560  0.69049550
   0.77964204  0.11660876  0.97219065
   0.54825369  0.10599765  0.90645823
   0.58721111  0.57934001  0.08600544
   0.84347681  0.70300818  0.29809000
   0.61863453  0.82856162  0.02555913
   0.86338178  0.95241862  0.36457914
   0.92636513  0.88032993  0.17927608
   0.67290628  0.89071815  0.21559258
   0.81447198  0.66396523  0.47326403
   0.57459729  0.55874354  0.39878264
   0.60482744  0.59343988  0.57592829
   0.84571965  0.68991197  0.77645319
   0.59763713  0.80692517  0.43422449
   0.88117984  0.93750865  0.84767791
   0.91223239  0.89386221  0.65822472
   0.66570339  0.88813031  0.73491161
   0.78848251  0.61958572  0.97095334
   0.55265132  0.64318464  0.89725471
   0.66511712  0.80352517  0.57293406
   0.66705107  0.87193178  0.44147370
   0.89222170  0.20857848  0.12724380
   0.77091409  0.46842802  0.33252142
   0.27510003  0.10824499  0.66578033
   0.24738139  0.74811287  0.76605805
   0.03505501  1.12903479  0.16429459
   0.18494006  1.00633800 -0.00963141
   0.65047830  0.39562256  0.84941300
   0.89898820  0.39788743  0.64508295
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895922    0.173398   -0.126369
    -0.000000    9.808337   -0.117340
    -0.000000    0.000000   13.916697
   Si   O    H 
    32    64    10
Direct configuration=   585
   0.15462872  0.16488817 -0.02851572
   0.39735668  0.07472693  0.36667349
   0.13618579  0.40514535  0.11984915
   0.38105801  0.33275071  0.25045763
   0.15265899  0.15847163  0.49680231
   0.39424728  0.12753504  0.86737233
   0.12534563  0.41825536  0.60524010
   0.34742499  0.38336711  0.74661180
   0.14314780  0.67504971  0.00183740
   0.41135449  0.57680647  0.36997125
   0.07644417  0.90637632  0.14466174
   0.34256079  0.83003051  0.24425229
   0.16654041  0.67089183  0.49317935
   0.39053706  0.63327104  0.87527344
   0.05533142  0.91676417  0.60986794
   0.31052501  0.97797530  0.69924038
   0.62611752  0.15464716  1.00169377
   0.89760634  0.11586338  0.38093092
   0.62108905  0.41951709  0.11899204
   0.88497725  0.30254565  0.20751261
   0.64883791  0.17095865  0.49854869
   0.87779151  0.10502238  0.87447761
   0.59778276  0.43957591  0.61117748
   0.74990984  0.35068513  0.79551986
   0.63861826  0.66649280 -0.00727820
   0.91285002  0.61518873  0.38284206
   0.57100042  0.91400339  0.12260276
   0.82173726  0.85979253  0.26150848
   0.65191283  0.65665254  0.47739381
   0.88887646  0.60465579  0.87005596
   0.60164143  0.91800182  0.62965998
   0.83144037  0.85102725  0.75446522
   0.11052345  0.07158997  0.14143813
   0.37156181  0.16831689  0.27320314
   0.09843812  0.29832445  0.03140304
   0.36843274  0.42213655  0.33975611
   0.52810803  0.36216187  0.20458864
   0.28794534  0.38057271  0.15888114
   0.28303308  0.09985852  0.44861077
   0.04505523  0.15986017  0.39723794
   0.07516594  0.07123067  0.58218066
   0.40153038  0.22919875  0.77610093
   0.19814669  0.30559089  0.53724189
   0.35683456  0.47490480  0.84877890
   0.45378194  0.43423335  0.66586185
   0.19337358  0.36551870  0.70500510
   0.31182879  0.20175095 -0.05119208
   0.04009201  0.15078063  0.87651416
   0.10947534  0.55582320  0.07848870
   0.40327831  0.67628046  0.27681477
   0.09092391  0.81673679  0.04489048
   0.37269680  0.92057258  0.33716025
   0.41855033  0.86790948  0.14660515
   0.17932867  0.85753507  0.23096170
   0.32249363  0.65170863  0.45331801
   0.06714047  0.61945801  0.40224698
   0.16424835  0.57457795  0.58743487
   0.34692134  0.72169871  0.78525246
   0.09668362  0.82357610  0.51790912
   0.34396162  0.98467277  0.81462127
   0.43989526  0.92521921  0.63533949
   0.17773990  0.87406188  0.68884706
   0.30084510  0.66111332 -0.02493457
   0.04798367  0.65116368  0.89982242
   0.58509086  0.06717364  0.09413982
   0.83262824  0.19998126  0.29081672
   0.61075321  0.31775492  0.02918287
   0.87100681  0.45714240  0.34645546
   0.03503982  0.36783288  0.21069213
   0.76072458  0.40608631  0.17543258
   0.80957780  0.17563305  0.46764313
   0.55235509  0.11725282  0.41076678
   0.64197426  0.07996607  0.59377826
   0.80186026  0.19350765  0.79428680
   0.61857711  0.32808233  0.52973938
   0.88487585  0.43765093  0.84186977
   0.96695105  0.42491242  0.60187077
   0.71825139  0.41207663  0.68989216
   0.78041005  0.11631167  0.97241346
   0.54797035  0.10397595  0.90677077
   0.58834606  0.57842763  0.08627960
   0.84383779  0.70527551  0.29760625
   0.61950949  0.83027846  0.02673650
   0.86245847  0.95206893  0.36323400
   0.92691371  0.88285070  0.17848958
   0.67359799  0.89235757  0.21592951
   0.81552060  0.66256867  0.47230217
   0.57777009  0.55752526  0.39808428
   0.60535749  0.59361627  0.57718727
   0.84452432  0.68645365  0.77619852
   0.59654673  0.80693749  0.43447419
   0.88068803  0.93670584  0.84600700
   0.91327847  0.89421220  0.65820636
   0.66577634  0.88968951  0.73586245
   0.78928864  0.62151280  0.96930404
   0.55192239  0.64262297  0.89633484
   0.66218753  0.81223849  0.57506583
   0.66563011  0.86338439  0.44272806
   0.89702906  0.20637156  0.12769626
   0.77360047  0.46421924  0.33117498
   0.27271627  0.11051568  0.66498606
   0.25649745  0.74776734  0.76655637
   0.02674405  1.12635585  0.16533588
   0.17702409  1.01326165 -0.01470842
   0.64257584  0.39721567  0.85155588
   0.88832746  0.39620492  0.63929038
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895511    0.174466   -0.128860
    -0.000000    9.808916   -0.115071
    -0.000000    0.000000   13.915697
   Si   O    H 
    32    64    10
Direct configuration=   586
   0.15505892  0.16444461 -0.02909881
   0.39715492  0.07642580  0.36735942
   0.13626258  0.40538562  0.11906425
   0.38092928  0.33264450  0.25075519
   0.15192263  0.15793449  0.49686715
   0.39388941  0.12707378  0.86757332
   0.12607504  0.42039025  0.60568471
   0.34870885  0.38354290  0.74592806
   0.14213479  0.67702927  0.00229018
   0.41023879  0.57712884  0.36942227
   0.07600885  0.90750183  0.14448021
   0.34260646  0.83149870  0.24408246
   0.16549619  0.67144580  0.49417325
   0.38950545  0.63486111  0.87421599
   0.05530906  0.91643806  0.61039940
   0.31060778  0.97788340  0.69960228
   0.62558220  0.15429988  1.00204088
   0.89694885  0.11609679  0.38032486
   0.62095469  0.41917332  0.11925150
   0.88512752  0.30160355  0.20769058
   0.64882292  0.17111718  0.49824489
   0.87759725  0.10562076  0.87423772
   0.59833591  0.43861198  0.61157991
   0.75054907  0.35052924  0.79707656
   0.63684497  0.66667494 -0.00853130
   0.91134347  0.61579224  0.38306695
   0.57109513  0.91454701  0.12202765
   0.82159339  0.86073389  0.26111684
   0.65218938  0.65690984  0.47755853
   0.88928197  0.60418955  0.87021202
   0.60266947  0.91772579  0.62997352
   0.83050620  0.85154292  0.75483917
   0.10947344  0.07201813  0.14162497
   0.37027958  0.16773703  0.27190592
   0.09787025  0.29817009  0.03185729
   0.37052921  0.42156972  0.33872425
   0.52800520  0.35874231  0.20508145
   0.28987843  0.38271192  0.15919935
   0.28315162  0.09873493  0.44775451
   0.04252110  0.15888573  0.39795624
   0.07527353  0.07202153  0.58264519
   0.40056709  0.22894595  0.77725141
   0.19900421  0.30567336  0.53578773
   0.35662595  0.47683905  0.84717137
   0.45322659  0.43249563  0.66624160
   0.19339863  0.36464157  0.70577340
   0.31104350  0.20324903 -0.05032215
   0.04007583  0.15127364  0.87760989
   0.11045028  0.55715666  0.07843117
   0.40350816  0.67738265  0.27816769
   0.08954090  0.81769139  0.04548516
   0.37354042  0.91961361  0.33712920
   0.41795805  0.86825394  0.14687627
   0.17947915  0.85629834  0.23102584
   0.32156299  0.65183858  0.45421375
   0.06639427  0.61907594  0.40317250
   0.16290029  0.57476087  0.58611732
   0.34780146  0.72083074  0.78559783
   0.09698841  0.82172072  0.51817870
   0.34509384  0.98463624  0.81380238
   0.44041961  0.92565185  0.63539195
   0.17675621  0.87667212  0.68870308
   0.30107903  0.66168923 -0.02384695
   0.04599243  0.65029237  0.89870357
   0.58483562  0.06684694  0.09401714
   0.83285317  0.20098050  0.29137137
   0.61057902  0.31955910  0.02834077
   0.87197183  0.45893042  0.34633175
   0.03412345  0.36854581  0.20937235
   0.76028275  0.40605131  0.17569672
   0.80861945  0.17785510  0.46700656
   0.55163791  0.11922948  0.41042878
   0.64147643  0.08020760  0.59389946
   0.80482187  0.19401845  0.79501779
   0.61996373  0.32659571  0.52917790
   0.88268514  0.43725715  0.84089073
   0.96624790  0.42574984  0.60102609
   0.71824863  0.41300265  0.68967750
   0.78186441  0.11637389  0.97284246
   0.54819138  0.10179977  0.90717739
   0.58972513  0.57790435  0.08614801
   0.84437294  0.70760844  0.29684880
   0.62002502  0.83172085  0.02789510
   0.86152920  0.95071710  0.36158695
   0.92784327  0.88564256  0.17803627
   0.67374712  0.89363255  0.21571213
   0.81661047  0.66086538  0.47134006
   0.58008592  0.55734354  0.39716791
   0.60668488  0.59406577  0.57906781
   0.84345944  0.68390986  0.77529117
   0.59595240  0.80602538  0.43412753
   0.88007961  0.93717552  0.84505451
   0.91468955  0.89462203  0.65833521
   0.66659119  0.89063799  0.73619710
   0.79043258  0.62427039  0.96784646
   0.55095550  0.64145173  0.89524357
   0.65771719  0.82404142  0.57598103
   0.67368221  0.87381733  0.44611146
   0.89922701  0.20598576  0.12957861
   0.77858244  0.45942734  0.32994926
   0.26845871  0.11230637  0.66401257
   0.26177364  0.75082250  0.76658060
   0.02359934  1.11976818  0.16188224
   0.17118543  1.01909981 -0.01946372
   0.62711918  0.40130807  0.85615698
   0.88195772  0.39506285  0.63337435
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895226    0.175350   -0.130834
    -0.000000    9.809141   -0.112584
    -0.000000    0.000000   13.914786
   Si   O    H 
    32    64    10
Direct configuration=   587
   0.15457586  0.16429302 -0.02998240
   0.39672164  0.07781932  0.36794764
   0.13686915  0.40473160  0.11808942
   0.38115953  0.33148524  0.25088962
   0.15100170  0.15741241  0.49661765
   0.39327106  0.12695534  0.86766096
   0.12778652  0.42236135  0.60621098
   0.35022758  0.38341370  0.74568909
   0.14096712  0.67907413  0.00241927
   0.40976552  0.57776608  0.36924114
   0.07563529  0.90892048  0.14487301
   0.34253028  0.83329790  0.24397527
   0.16452822  0.67218017  0.49470766
   0.38816786  0.63618908  0.87308913
   0.05568358  0.91595558  0.61080740
   0.31018788  0.97815708  0.69942348
   0.62560879  0.15352409  1.00194226
   0.89539943  0.11616013  0.37988145
   0.62071637  0.41829800  0.11939545
   0.88482460  0.30125196  0.20776047
   0.64893813  0.17171415  0.49816623
   0.87733570  0.10623801  0.87427417
   0.59845343  0.43738280  0.61222889
   0.75118859  0.35132011  0.79883227
   0.63552615  0.66746101 -0.00971004
   0.90992187  0.61660540  0.38313292
   0.57132774  0.91505014  0.12110468
   0.82180683  0.86126554  0.26044182
   0.65225368  0.65727728  0.47812416
   0.88901927  0.60374090  0.87067529
   0.60323988  0.91832357  0.63042486
   0.82897412  0.85221363  0.75546382
   0.10829288  0.07115814  0.14188337
   0.36956329  0.16764000  0.27095917
   0.09688830  0.29789350  0.03186589
   0.37176139  0.42249881  0.33914371
   0.52779400  0.35539081  0.20595513
   0.29134310  0.38518088  0.15943333
   0.28319420  0.09734051  0.44704751
   0.04108216  0.15858747  0.39938030
   0.07537401  0.07356295  0.58285167
   0.40038081  0.22903549  0.77808110
   0.19899657  0.30656338  0.53462298
   0.35677945  0.47831379  0.84541929
   0.45204552  0.43172848  0.66705116
   0.19333731  0.36347180  0.70659441
   0.31022966  0.20468259 -0.04983872
   0.03998959  0.15115959  0.87861332
   0.11180610  0.55687371  0.07841692
   0.40373419  0.67832403  0.27939203
   0.08814174  0.81887831  0.04589173
   0.37427794  0.91849869  0.33713916
   0.41819833  0.86870235  0.14699463
   0.17923385  0.85505359  0.23116064
   0.32151567  0.65198473  0.45417944
   0.06675758  0.61928345  0.40446352
   0.16157302  0.57628143  0.58506837
   0.34946022  0.71960624  0.78627593
   0.09709575  0.82050641  0.51836687
   0.34576427  0.98499774  0.81317464
   0.44116043  0.92696546  0.63590451
   0.17552027  0.87919840  0.68912311
   0.30149199  0.66264807 -0.02259746
   0.04424371  0.64895570  0.89783492
   0.58490266  0.06801323  0.09429553
   0.83274568  0.20250402  0.29187394
   0.61117239  0.32065121  0.02675518
   0.87297890  0.46026464  0.34628653
   0.03352419  0.36874198  0.20807304
   0.76050856  0.40611319  0.17576462
   0.80791423  0.17998901  0.46620839
   0.55016447  0.12121386  0.41022405
   0.63988900  0.08046880  0.59413139
   0.80678161  0.19472388  0.79569789
   0.62070567  0.32500817  0.52746170
   0.88069050  0.43737147  0.84017142
   0.96491353  0.42627146  0.60059494
   0.71896852  0.41442895  0.68937183
   0.78369026  0.11589768  0.97335284
   0.54871820  0.10049340  0.90704327
   0.59093375  0.57737760  0.08627851
   0.84438055  0.70971387  0.29614841
   0.62029129  0.83215341  0.02870740
   0.86117704  0.94975694  0.35958584
   0.92751913  0.88857706  0.17812112
   0.67460672  0.89427877  0.21546120
   0.81695758  0.65902715  0.47062125
   0.58131322  0.55709593  0.39591115
   0.60770513  0.59346541  0.58055703
   0.84263152  0.68196308  0.77454903
   0.59573683  0.80514427  0.43324982
   0.87917128  0.93854622  0.84411815
   0.91539829  0.89487434  0.65865566
   0.66824230  0.89161247  0.73621073
   0.79162837  0.62697616  0.96659015
   0.54889961  0.63990955  0.89420886
   0.66142502  0.82682078  0.57281510
   0.67343779  0.87744460  0.44550100
   0.90262075  0.20282652  0.12911390
   0.77673654  0.45308841  0.32580512
   0.26604804  0.11255024  0.66274712
   0.25861468  0.75657624  0.76537168
   0.02240830  1.11496957  0.15731174
   0.16955124  1.02193323 -0.01984210
   0.61863426  0.40224442  0.85655500
   0.87913287  0.39368532  0.62597206
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895240    0.176094   -0.132661
    -0.000000    9.809537   -0.109812
    -0.000000    0.000000   13.914548
   Si   O    H 
    32    64    10
Direct configuration=   588
   0.15416011  0.16480714 -0.03105252
   0.39633844  0.07910739  0.36812418
   0.13758406  0.40376180  0.11709141
   0.38092781  0.33000387  0.25092911
   0.15047396  0.15675702  0.49630644
   0.39295193  0.12691637  0.86805977
   0.12961869  0.42356516  0.60719711
   0.35134564  0.38360290  0.74569887
   0.13986469  0.68040970  0.00209619
   0.40955856  0.57914678  0.36929017
   0.07560226  0.90947064  0.14508577
   0.34204230  0.83463604  0.24409901
   0.16359484  0.67230312  0.49505829
   0.38744291  0.63717218  0.87191433
   0.05644446  0.91597517  0.61101741
   0.31010656  0.97868799  0.69925585
   0.62568442  0.15306778  1.00143583
   0.89332919  0.11595303  0.37946714
   0.61991438  0.41788111  0.11959962
   0.88389041  0.30176484  0.20795182
   0.64931600  0.17262150  0.49832478
   0.87776736  0.10595618  0.87442862
   0.59841874  0.43647667  0.61274552
   0.75158533  0.35240204  0.80038022
   0.63460643  0.66788524 -0.01050773
   0.90864433  0.61695708  0.38288647
   0.57154962  0.91513093  0.12064047
   0.82244695  0.86156072  0.25960091
   0.65172906  0.65813074  0.47871067
   0.88843579  0.60265452  0.87127989
   0.60411216  0.91932768  0.63092419
   0.82750568  0.85206189  0.75613466
   0.10715591  0.06986618  0.14191142
   0.36913259  0.16725371  0.27023204
   0.09669376  0.29798004  0.03229254
   0.37226276  0.42468437  0.33992954
   0.52814808  0.35261690  0.20640076
   0.29240645  0.38790647  0.15939911
   0.28342733  0.09646628  0.44702220
   0.04052635  0.15920389  0.40083964
   0.07576917  0.07550908  0.58280770
   0.39972774  0.22878692  0.77877567
   0.19983462  0.30744469  0.53395251
   0.35729522  0.47861715  0.84348168
   0.45146630  0.43064975  0.66744444
   0.19304342  0.36190744  0.70709442
   0.30952793  0.20600558 -0.04911124
   0.03997038  0.15081026  0.87941847
   0.11341752  0.55721162  0.07827866
   0.40364832  0.67913077  0.28033060
   0.08749206  0.82037883  0.04626711
   0.37469007  0.91796241  0.33808989
   0.41894732  0.86931220  0.14688857
   0.17919681  0.85433799  0.23149087
   0.32227225  0.65155172  0.45388445
   0.06800370  0.61917836  0.40576318
   0.16097218  0.57778246  0.58394897
   0.35107045  0.71945108  0.78648671
   0.09731432  0.81997407  0.51851555
   0.34537770  0.98585420  0.81192749
   0.44212346  0.92878423  0.63633204
   0.17482753  0.88026000  0.68945165
   0.30181514  0.66288141 -0.02238899
   0.04312409  0.64737204  0.89763042
   0.58417433  0.06975797  0.09389952
   0.83233568  0.20371217  0.29255224
   0.61154326  0.32126188  0.02487907
   0.87439068  0.46231405  0.34651228
   0.03397866  0.36893838  0.20736957
   0.76146565  0.40581995  0.17645381
   0.80698358  0.18099867  0.46545766
   0.54864115  0.12281662  0.41041365
   0.63850260  0.08078168  0.59434731
   0.80774140  0.19527612  0.79600343
   0.62133961  0.32449289  0.52672048
   0.87801954  0.43807509  0.83986242
   0.96455372  0.42673880  0.59979045
   0.72020592  0.41546868  0.68929886
   0.78511229  0.11469854  0.97374040
   0.54934223  0.09890705  0.90743174
   0.59291514  0.57701279  0.08607761
   0.84491182  0.71123153  0.29597810
   0.62046805  0.83261532  0.02859421
   0.86206436  0.94989079  0.35728191
   0.92773611  0.89108280  0.17812930
   0.67511254  0.89527136  0.21570793
   0.81713355  0.65693775  0.47013651
   0.58225616  0.55648099  0.39505900
   0.60907744  0.59246554  0.58160527
   0.84162637  0.68042605  0.77351479
   0.59632728  0.80561989  0.43233989
   0.87842954  0.94072229  0.84352495
   0.91601127  0.89478311  0.65947439
   0.66983971  0.89345998  0.73610207
   0.79271356  0.62964630  0.96486474
   0.54787196  0.63852916  0.89372596
   0.67037191  0.82288541  0.56677647
   0.66155380  0.87059988  0.44040701
   0.90224983  0.19849002  0.12700218
   0.77853731  0.44903409  0.32682720
   0.26586650  0.10982853  0.66158066
   0.25962147  0.76280805  0.76518424
   0.02067750  1.11237054  0.15274071
   0.16796762  1.02004024 -0.01510206
   0.61689685  0.39781515  0.85568674
   0.87722147  0.39363048  0.62065777
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895244    0.176756   -0.134513
    -0.000000    9.810214   -0.107150
    -0.000000    0.000000   13.914118
   Si   O    H 
    32    64    10
Direct configuration=   589
   0.15301713  0.16572685 -0.03253527
   0.39628645  0.07982820  0.36799466
   0.13894431  0.40256640  0.11670248
   0.38139851  0.32833663  0.25123982
   0.14955875  0.15665117  0.49593907
   0.39271864  0.12660482  0.86809196
   0.13098920  0.42398149  0.60784714
   0.35240155  0.38327196  0.74613975
   0.13860083  0.68095643  0.00189144
   0.41020799  0.58004373  0.36920671
   0.07617343  0.90923680  0.14556190
   0.34189865  0.83528181  0.24423471
   0.16281613  0.67260840  0.49453965
   0.38685503  0.63732909  0.87130716
   0.05726050  0.91652535  0.61079876
   0.30983991  0.97841863  0.69879497
   0.62553881  0.15290069  1.00119641
   0.89145135  0.11590867  0.37890753
   0.61868417  0.41713924  0.11963017
   0.88345192  0.30250932  0.20797933
   0.65010109  0.17313808  0.49880522
   0.87851861  0.10530456  0.87482729
   0.59805826  0.43622665  0.61368473
   0.75147436  0.35367045  0.80170762
   0.63389988  0.66849651 -0.01072018
   0.90823810  0.61706559  0.38238567
   0.57205848  0.91526332  0.11977949
   0.82325049  0.86235472  0.25862573
   0.65060829  0.65866268  0.47890042
   0.88813247  0.60110102  0.87138912
   0.60527762  0.92066723  0.63069146
   0.82639827  0.85186589  0.75668428
   0.10701219  0.06899519  0.14245361
   0.36849141  0.16729487  0.26945673
   0.09605549  0.29746819  0.03275823
   0.37312705  0.42649451  0.34121544
   0.52892448  0.35001301  0.20713020
   0.29321684  0.39037138  0.15938440
   0.28412601  0.09472709  0.44722422
   0.04047727  0.15887304  0.40254683
   0.07565855  0.07804756  0.58238189
   0.39982322  0.22857994  0.77935766
   0.19939615  0.30827821  0.53373941
   0.35735300  0.47803100  0.84188689
   0.45141718  0.42974404  0.66726184
   0.19349288  0.36091431  0.70778106
   0.30873419  0.20774979 -0.04809126
   0.03943265  0.15070421  0.87955533
   0.11527394  0.55771691  0.07782673
   0.40318204  0.68006867  0.28113471
   0.08682909  0.82191770  0.04679781
   0.37499959  0.91801594  0.33923648
   0.42005376  0.87022027  0.14682027
   0.17872464  0.85360025  0.23171170
   0.32283293  0.65145941  0.45359277
   0.06914928  0.61840895  0.40719758
   0.16114679  0.57971003  0.58301542
   0.35168430  0.72016698  0.78567000
   0.09798274  0.81964608  0.51822114
   0.34484329  0.98673402  0.81129808
   0.44280827  0.93072931  0.63750088
   0.17459939  0.88133231  0.68991721
   0.30259150  0.66291406 -0.02344707
   0.04285356  0.64598242  0.89735759
   0.58265827  0.07117644  0.09304595
   0.83133154  0.20573173  0.29284050
   0.61130087  0.32141999  0.02308251
   0.87565998  0.46406697  0.34662337
   0.03501379  0.36836821  0.20655181
   0.76265446  0.40633115  0.17698030
   0.80512696  0.18249291  0.46464299
   0.54714091  0.12393216  0.41052639
   0.63674271  0.08104380  0.59447913
   0.80845239  0.19622786  0.79581498
   0.62148738  0.32447928  0.52642297
   0.87557835  0.43885755  0.84050809
   0.96446732  0.42661629  0.59934670
   0.72137197  0.41635759  0.68882503
   0.78669164  0.11365706  0.97403619
   0.54964995  0.09747802  0.90698309
   0.59396375  0.57657406  0.08578195
   0.84551508  0.71284205  0.29520379
   0.62092289  0.83211688  0.02768578
   0.86290243  0.94952364  0.35527534
   0.92692805  0.89330495  0.17821161
   0.67593160  0.89606465  0.21642771
   0.81715124  0.65547822  0.47013416
   0.58264249  0.55663686  0.39423355
   0.61079136  0.59164358  0.58268060
   0.84119776  0.67930715  0.77244007
   0.59541936  0.80614095  0.43120743
   0.87740585  0.94357153  0.84303192
   0.91531953  0.89506004  0.66048659
   0.67176813  0.89545360  0.73589879
   0.79351010  0.63272321  0.96359080
   0.54737279  0.63750266  0.89348886
   0.68099207  0.82140028  0.56432497
   0.65693952  0.87301097  0.43683488
   0.89729307  0.19492999  0.12588310
   0.78254835  0.44279820  0.32953817
   0.27137661  0.10716993  0.65888369
   0.26614357  0.76454138  0.76853226
   0.01436874  1.11571500  0.14913691
   0.16861079  1.01520432 -0.00733095
   0.62243743  0.38953901  0.85255312
   0.87513629  0.39353456  0.61800400
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895085    0.177315   -0.135698
    -0.000000    9.810713   -0.104834
    -0.000000    0.000000   13.913594
   Si   O    H 
    32    64    10
Direct configuration=   590
   0.15126429  0.16624370 -0.03358686
   0.39603993  0.08004762  0.36783223
   0.14035204  0.40206836  0.11710101
   0.38143716  0.32703739  0.25120877
   0.14952687  0.15634651  0.49585526
   0.39257797  0.12704573  0.86813923
   0.13208928  0.42401069  0.60775125
   0.35319777  0.38250431  0.74699514
   0.13720287  0.68130420  0.00180057
   0.41167422  0.58105441  0.36949129
   0.07688080  0.90836954  0.14586029
   0.34203566  0.83532498  0.24426621
   0.16254931  0.67286282  0.49343895
   0.38565403  0.63701967  0.87135606
   0.05754701  0.91718802  0.61035060
   0.30938963  0.97848812  0.69776867
   0.62582837  0.15343239  1.00107824
   0.88972987  0.11581295  0.37849225
   0.61690304  0.41623026  0.12002394
   0.88288720  0.30270419  0.20802630
   0.65054845  0.17343892  0.49946598
   0.87932210  0.10464475  0.87541365
   0.59738799  0.43582636  0.61430546
   0.75084419  0.35412768  0.80282838
   0.63338393  0.66875346 -0.01046099
   0.90808905  0.61672399  0.38146430
   0.57301190  0.91461816  0.11935745
   0.82337067  0.86246982  0.25768811
   0.64939364  0.65889721  0.47882439
   0.88761620  0.59864139  0.87187293
   0.60653124  0.92148909  0.63043779
   0.82565910  0.85117690  0.75701369
   0.10648608  0.06761374  0.14221822
   0.36751054  0.16780115  0.26857354
   0.09637624  0.29657295  0.03279889
   0.37404576  0.42854235  0.34299630
   0.53000575  0.34795942  0.20769781
   0.29366464  0.39255334  0.15874935
   0.28472860  0.09316682  0.44742940
   0.04098303  0.15811246  0.40417751
   0.07500875  0.08102366  0.58227382
   0.40067180  0.22847594  0.77916592
   0.19947718  0.30929807  0.53392761
   0.35618791  0.47659249  0.84106683
   0.45163231  0.42954222  0.66681632
   0.19423908  0.36017290  0.70864665
   0.30813625  0.20957533 -0.04756475
   0.03906946  0.15116648  0.88013033
   0.11700868  0.55776151  0.07773588
   0.40274773  0.68104735  0.28115411
   0.08606141  0.82400806  0.04717733
   0.37585700  0.91765179  0.34053194
   0.42112616  0.87210745  0.14656768
   0.17839630  0.85347139  0.23122906
   0.32367826  0.65120840  0.45328784
   0.07105007  0.61697720  0.40772066
   0.16119508  0.58055810  0.58262361
   0.35259500  0.72169796  0.78464089
   0.09767051  0.81988665  0.51813123
   0.34392747  0.98782022  0.81167247
   0.44389011  0.93236309  0.63842436
   0.17506231  0.88251089  0.69077162
   0.30301217  0.66290841 -0.02498935
   0.04321596  0.64439090  0.89745280
   0.58044130  0.07300042  0.09275121
   0.82993626  0.20785599  0.29301873
   0.61114244  0.32178343  0.02137669
   0.87636491  0.46558292  0.34656350
   0.03615927  0.36739597  0.20608420
   0.76428262  0.40678901  0.17722693
   0.80428085  0.18366915  0.46360830
   0.54587772  0.12407360  0.41083741
   0.63481359  0.08046939  0.59428298
   0.80843138  0.19808370  0.79515659
   0.62037610  0.32555270  0.52626341
   0.87336811  0.43999477  0.84089526
   0.96449820  0.42672949  0.59879911
   0.72335880  0.41639856  0.68819547
   0.78753878  0.11248029  0.97380532
   0.54962155  0.09699599  0.90656078
   0.59421741  0.57680461  0.08469343
   0.84645458  0.71340792  0.29477297
   0.62159290  0.83063009  0.02627760
   0.86305167  0.95006565  0.35370491
   0.92633826  0.89561661  0.17879030
   0.67620606  0.89617805  0.21645019
   0.81585567  0.65468999  0.47097868
   0.58253160  0.55695908  0.39384795
   0.61289164  0.59212576  0.58321322
   0.84088780  0.67865966  0.77192064
   0.59468198  0.80594112  0.42986271
   0.87661114  0.94591372  0.84293643
   0.91481377  0.89561749  0.66176682
   0.67317896  0.89681477  0.73514768
   0.79440409  0.63639729  0.96293042
   0.54599010  0.63736011  0.89328932
   0.68775621  0.82399125  0.56657595
   0.66451962  0.88649938  0.43329133
   0.88952439  0.19353623  0.12762317
   0.78169873  0.43791308  0.33442225
   0.28086354  0.10339425  0.65727870
   0.27161670  0.76271300  0.77175190
   0.01218370  1.12169385  0.14333009
   0.16979321  1.01712136 -0.00314708
   0.62993925  0.37660880  0.84841819
   0.87331922  0.39406498  0.61687970
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894937    0.177558   -0.137293
    -0.000000    9.811049   -0.102441
    -0.000000    0.000000   13.913343
   Si   O    H 
    32    64    10
Direct configuration=   591
   0.14937948  0.16582885 -0.03471164
   0.39611039  0.07967233  0.36728426
   0.14207522  0.40156445  0.11794395
   0.38146836  0.32673331  0.25097444
   0.14914226  0.15633608  0.49534539
   0.39273190  0.12775632  0.86843736
   0.13187992  0.42373896  0.60750712
   0.35377202  0.38227473  0.74795408
   0.13588897  0.68061984  0.00125361
   0.41360151  0.58184476  0.36972347
   0.07761581  0.90773012  0.14648009
   0.34245916  0.83489657  0.24430158
   0.16280143  0.67339604  0.49202423
   0.38404556  0.63605576  0.87197630
   0.05717892  0.91732709  0.60976157
   0.30885879  0.97795980  0.69712874
   0.62618802  0.15375002  1.00089365
   0.88795715  0.11586078  0.37802987
   0.61499364  0.41540376  0.12093085
   0.88185902  0.30271483  0.20809576
   0.65026431  0.17357494  0.50062514
   0.87995017  0.10410969  0.87614779
   0.59706481  0.43521911  0.61474906
   0.75059154  0.35476542  0.80333050
   0.63356421  0.66872255 -0.01024347
   0.90813449  0.61661115  0.38093720
   0.57431245  0.91402532  0.11910230
   0.82293597  0.86254823  0.25669827
   0.64828655  0.65836585  0.47862902
   0.88750824  0.59673375  0.87240347
   0.60787178  0.92227426  0.63039111
   0.82527471  0.84951418  0.75690142
   0.10572582  0.06690765  0.14207453
   0.36626292  0.16772579  0.26769487
   0.09667296  0.29656815  0.03251446
   0.37420854  0.42975573  0.34466385
   0.53078645  0.34546336  0.20835404
   0.29389302  0.39409735  0.15888097
   0.28466667  0.09117653  0.44798481
   0.04149392  0.15752273  0.40567690
   0.07405506  0.08364363  0.58267603
   0.40134256  0.22824427  0.77835039
   0.19965454  0.31029399  0.53416307
   0.35474181  0.47623376  0.84041167
   0.45201712  0.42959455  0.66591245
   0.19447779  0.36003884  0.70923637
   0.30802790  0.21127280 -0.04703234
   0.03874403  0.15132950  0.88062227
   0.11906824  0.55706133  0.07797010
   0.40210848  0.68261731  0.28016262
   0.08500673  0.82549404  0.04732495
   0.37734824  0.91782412  0.34095187
   0.42213678  0.87402101  0.14600301
   0.17811045  0.85222616  0.23069794
   0.32437194  0.65094281  0.45313500
   0.07268511  0.61490635  0.40721585
   0.16105942  0.58059341  0.58261110
   0.35429976  0.72327853  0.78309891
   0.09738989  0.82045761  0.51830446
   0.34308091  0.98885032  0.81287429
   0.44472844  0.93314662  0.63927165
   0.17586388  0.88361271  0.69153852
   0.30336090  0.66283226 -0.02604458
   0.04320100  0.64262099  0.89820672
   0.57862862  0.07459747  0.09238828
   0.82842019  0.20899103  0.29280661
   0.61052661  0.32188822  0.01969978
   0.87696319  0.46612353  0.34636677
   0.03723728  0.36602745  0.20591999
   0.76580867  0.40721386  0.17753215
   0.80323230  0.18449526  0.46252686
   0.54479993  0.12405997  0.41021054
   0.63312164  0.08036744  0.59384451
   0.80949187  0.20030488  0.79489079
   0.61925893  0.32747683  0.52603585
   0.87163884  0.44179566  0.84119478
   0.96457910  0.42716486  0.59844873
   0.72531199  0.41564446  0.68777596
   0.78813270  0.11124255  0.97428406
   0.54942108  0.09608937  0.90624936
   0.59419727  0.57667076  0.08387372
   0.84718938  0.71276674  0.29446248
   0.62212432  0.82889784  0.02589719
   0.86280785  0.95084252  0.35208303
   0.92617423  0.89775341  0.17974871
   0.67648945  0.89647271  0.21611659
   0.81497174  0.65352003  0.47161998
   0.58203790  0.55755942  0.39380878
   0.61415875  0.59283896  0.58370358
   0.84070160  0.67848625  0.77142052
   0.59467185  0.80633416  0.42839958
   0.87637535  0.94798779  0.84349769
   0.91463647  0.89680914  0.66283106
   0.67422083  0.89800270  0.73460916
   0.79462006  0.64004525  0.96285432
   0.54396216  0.63737764  0.89262109
   0.68925040  0.82819171  0.57550684
   0.66365908  0.88785190  0.43157870
   0.88469391  0.19481677  0.12883094
   0.78381310  0.43458984  0.33922103
   0.28609968  0.10625145  0.65392332
   0.26168736  0.76862151  0.77251866
   0.01613405  1.12472246  0.13995101
   0.17081131  1.02380020 -0.00247207
   0.62916877  0.36315087  0.84712521
   0.87780380  0.39460527  0.61745410
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895118    0.177652   -0.139371
    -0.000000    9.811765   -0.100001
    -0.000000    0.000000   13.913247
   Si   O    H 
    32    64    10
Direct configuration=   592
   0.14776675  0.16518490 -0.03547464
   0.39657615  0.07868615  0.36638738
   0.14306716  0.40128863  0.11837694
   0.38130702  0.32723688  0.25066358
   0.14861064  0.15611839  0.49505377
   0.39309646  0.12827582  0.86836552
   0.13134021  0.42339699  0.60736340
   0.35361729  0.38174331  0.74904779
   0.13507708  0.67856038  0.00056265
   0.41576659  0.58244770  0.36996123
   0.07895625  0.90704029  0.14773954
   0.34301978  0.83422906  0.24469532
   0.16401620  0.67414567  0.49057804
   0.38264036  0.63485188  0.87308375
   0.05729714  0.91728896  0.60873222
   0.30900331  0.97840150  0.69649510
   0.62669592  0.15377184  1.00060451
   0.88689604  0.11596212  0.37764438
   0.61295148  0.41485206  0.12154692
   0.88141313  0.30254887  0.20804345
   0.65024404  0.17342340  0.50135956
   0.88010189  0.10325808  0.87672584
   0.59635669  0.43501057  0.61530408
   0.75097830  0.35470451  0.80346432
   0.63424202  0.66952291 -0.01003701
   0.90931783  0.61658662  0.38028528
   0.57572783  0.91341054  0.11928440
   0.82296620  0.86253022  0.25591920
   0.64703830  0.65750477  0.47811304
   0.88647591  0.59547575  0.87233120
   0.60910218  0.92337766  0.63036897
   0.82480328  0.84758403  0.75660089
   0.10443491  0.06792328  0.14214366
   0.36455923  0.16736802  0.26737132
   0.09761447  0.29672767  0.03289858
   0.37467867  0.43055053  0.34612223
   0.53161045  0.34338211  0.20825082
   0.29417574  0.39503146  0.15904481
   0.28390857  0.08990158  0.44906821
   0.04170953  0.15713442  0.40695319
   0.07294338  0.08617018  0.58287865
   0.40154056  0.22803408  0.77719292
   0.19925068  0.31047781  0.53418350
   0.35321531  0.47666110  0.83958894
   0.45169291  0.43037809  0.66480832
   0.19510515  0.36089789  0.70981680
   0.30779865  0.21138921 -0.04697163
   0.03806521  0.15121213  0.88114800
   0.12043324  0.55696664  0.07759061
   0.40202849  0.68445239  0.27901181
   0.08440019  0.82614501  0.04688695
   0.37868028  0.91848393  0.34122011
   0.42319363  0.87625544  0.14558047
   0.17810971  0.85113131  0.23028204
   0.32467170  0.65061016  0.45343311
   0.07374643  0.61336542  0.40607223
   0.16105734  0.57984162  0.58309512
   0.35506091  0.72564088  0.78099545
   0.09733897  0.82205899  0.51835073
   0.34250680  0.98998716  0.81390679
   0.44528209  0.93446588  0.64034239
   0.17679590  0.88388315  0.69138366
   0.30342022  0.66308337 -0.02676618
   0.04396041  0.64093446  0.89966327
   0.57688508  0.07528405  0.09197766
   0.82705746  0.20992641  0.29257236
   0.61049215  0.32207933  0.01869944
   0.87692686  0.46509417  0.34670622
   0.03825199  0.36473966  0.20560691
   0.76597968  0.40849292  0.17810824
   0.80290067  0.18497532  0.46173391
   0.54297669  0.12510609  0.40937767
   0.63157454  0.07912289  0.59307108
   0.81112329  0.20243041  0.79450620
   0.61795907  0.32996754  0.52609758
   0.87004578  0.44389406  0.84180756
   0.96518979  0.42785822  0.59787398
   0.72734950  0.41455648  0.68755161
   0.78943328  0.11015881  0.97468048
   0.54915931  0.09421993  0.90657172
   0.59479438  0.57623589  0.08275626
   0.84888891  0.71201154  0.29449988
   0.62178510  0.82679906  0.02586367
   0.86215799  0.95201570  0.35069253
   0.92573107  0.89933088  0.17996628
   0.67700361  0.89690622  0.21591593
   0.81427464  0.65179163  0.47215391
   0.58117518  0.55856041  0.39294123
   0.61565492  0.59379392  0.58435724
   0.84132771  0.67837240  0.77045586
   0.59564875  0.80641155  0.42724315
   0.87628304  0.94983324  0.84471043
   0.91535581  0.89729712  0.66384921
   0.67480058  0.89977493  0.73429119
   0.79384099  0.64285707  0.96273062
   0.54290683  0.63767653  0.89230437
   0.69157174  0.83086403  0.58244330
   0.65484931  0.87879949  0.42987686
   0.88064287  0.19865436  0.12984645
   0.78435438  0.43529899  0.34437344
   0.28837882  0.11424116  0.65107681
   0.25910182  0.76734338  0.77507616
   0.02395858  1.12392858  0.13692793
   0.16637291  1.03616579 -0.00240090
   0.62431327  0.35073878  0.84974884
   0.87964987  0.39258936  0.61947221
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894637    0.177467   -0.141329
    -0.000000    9.812600   -0.097209
    -0.000000    0.000000   13.912849
   Si   O    H 
    32    64    10
Direct configuration=   593
   0.14607401  0.16475266 -0.03584346
   0.39718544  0.07825616  0.36518630
   0.14306899  0.40140595  0.11865079
   0.38094293  0.32799829  0.25039870
   0.14804533  0.15651457  0.49495541
   0.39417240  0.12885903  0.86844592
   0.13087032  0.42250188  0.60697096
   0.35278438  0.38111664  0.75020196
   0.13457101  0.67618606 -0.00047493
   0.41756381  0.58363985  0.37005231
   0.08019796  0.90610729  0.14892029
   0.34427712  0.83419372  0.24533150
   0.16544328  0.67574793  0.48937110
   0.38080763  0.63407225  0.87392768
   0.05673311  0.91717647  0.60785156
   0.30928455  0.97909824  0.69632554
   0.62706807  0.15405527  1.00024766
   0.88630084  0.11553481  0.37684060
   0.61110084  0.41451407  0.12235915
   0.88047269  0.30277400  0.20795771
   0.64993078  0.17284302  0.50195081
   0.88012646  0.10268501  0.87746436
   0.59602894  0.43477950  0.61602251
   0.75184803  0.35535158  0.80340130
   0.63491239  0.67010716 -0.01001618
   0.91027713  0.61718217  0.37960381
   0.57676064  0.91285539  0.11931641
   0.82293466  0.86273373  0.25563994
   0.64605231  0.65675972  0.47766996
   0.88494703  0.59470794  0.87214513
   0.61003389  0.92427215  0.63043744
   0.82525434  0.84602410  0.75634812
   0.10385478  0.06821789  0.14215480
   0.36311027  0.16689002  0.26714684
   0.09839192  0.29633111  0.03255409
   0.37400322  0.43061552  0.34683895
   0.53286257  0.34215289  0.20780187
   0.29508853  0.39597706  0.15950807
   0.28311598  0.08886607  0.45039384
   0.04151613  0.15634925  0.40819254
   0.07221893  0.08815653  0.58307747
   0.40145180  0.22819484  0.77616968
   0.19941773  0.30979451  0.53394270
   0.35195729  0.47756818  0.83919815
   0.45210336  0.43097302  0.66383717
   0.19663997  0.36184684  0.71030920
   0.30779262  0.21059942 -0.04705616
   0.03764563  0.15106553  0.88233012
   0.12163168  0.55651748  0.07733793
   0.40129713  0.68591260  0.27733560
   0.08366567  0.82674515  0.04650954
   0.38005522  0.91997226  0.34146198
   0.42386366  0.87801850  0.14571453
   0.17872166  0.85034116  0.23062875
   0.32424845  0.65031665  0.45435285
   0.07321796  0.61219046  0.40467269
   0.16143104  0.57895276  0.58415067
   0.35543960  0.72806952  0.77870288
   0.09697739  0.82322748  0.51852628
   0.34047941  0.99146052  0.81476469
   0.44525708  0.93576821  0.64107475
   0.17715738  0.88439498  0.69130831
   0.30246937  0.66325270 -0.02760491
   0.04385898  0.63966466  0.90187379
   0.57460474  0.07544964  0.09227372
   0.82541889  0.21030372  0.29262909
   0.61011771  0.32277036  0.01791318
   0.87766226  0.46305877  0.34748437
   0.03846754  0.36302080  0.20533513
   0.76554969  0.40987314  0.17853819
   0.80190345  0.18543971  0.46100574
   0.54169981  0.12595932  0.40903392
   0.62994800  0.07784386  0.59211703
   0.81214960  0.20431188  0.79467858
   0.61672223  0.33240430  0.52657059
   0.86805984  0.44561788  0.84216152
   0.96581771  0.42848419  0.59767978
   0.72839804  0.41354927  0.68754271
   0.79065189  0.10977819  0.97498618
   0.54814615  0.09299389  0.90688267
   0.59567621  0.57544117  0.08193563
   0.85079669  0.71143017  0.29457838
   0.62203556  0.82530985  0.02583763
   0.86168208  0.95335687  0.34959939
   0.92610667  0.90080140  0.17875707
   0.67682195  0.89702707  0.21517367
   0.81401746  0.65073965  0.47210403
   0.58062659  0.56077266  0.39223247
   0.61727342  0.59550306  0.58463287
   0.84123990  0.67893685  0.77004358
   0.59519438  0.80623554  0.42628435
   0.87612996  0.95035698  0.84547888
   0.91598720  0.89771590  0.66483001
   0.67448535  0.90142488  0.73424688
   0.79259923  0.64672680  0.96242229
   0.54313569  0.63797999  0.89232736
   0.69521204  0.82512955  0.58598461
   0.65156273  0.87707958  0.42784518
   0.87819918  0.20092874  0.13116295
   0.78443229  0.43543692  0.34963931
   0.29098319  0.12179234  0.64964985
   0.26528467  0.76400199  0.77777978
   0.02466206  1.12784889  0.13494173
   0.16181603  1.03930377 -0.00013984
   0.61668826  0.34247568  0.85599006
   0.88370819  0.39200298  0.62217717
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894231    0.177476   -0.143737
    -0.000000    9.813338   -0.094780
    -0.000000    0.000000   13.912262
   Si   O    H 
    32    64    10
Direct configuration=   594
   0.14475130  0.16438927 -0.03576128
   0.39776815  0.07846962  0.36421242
   0.14303279  0.40121882  0.11881533
   0.38070944  0.32904369  0.25002402
   0.14764102  0.15766803  0.49476909
   0.39464265  0.12965956  0.86846171
   0.13036441  0.42135337  0.60617261
   0.35155739  0.38031012  0.75107099
   0.13437171  0.67378325 -0.00092290
   0.41862534  0.58469868  0.37006478
   0.08148542  0.90419408  0.14991467
   0.34514386  0.83391282  0.24553145
   0.16744944  0.67712201  0.48835751
   0.37921279  0.63335881  0.87455318
   0.05605902  0.91749127  0.60733779
   0.30966305  0.98073148  0.69620850
   0.62731748  0.15428048  0.99992483
   0.88596757  0.11446293  0.37602523
   0.60967642  0.41478955  0.12292054
   0.88012535  0.30368829  0.20772648
   0.64892183  0.17285343  0.50217083
   0.88005294  0.10268071  0.87809433
   0.59554928  0.43454434  0.61649024
   0.75237052  0.35563669  0.80303470
   0.63561143  0.67103962 -0.01001551
   0.91076913  0.61752681  0.37914973
   0.57783545  0.91319375  0.11954935
   0.82230167  0.86292592  0.25542119
   0.64541164  0.65621608  0.47740101
   0.88305540  0.59530876  0.87145657
   0.61114994  0.92574229  0.63036706
   0.82605283  0.84453772  0.75634228
   0.10330703  0.06756555  0.14222798
   0.36179155  0.16679667  0.26671798
   0.10006009  0.29602795  0.03240596
   0.37337427  0.43041525  0.34719563
   0.53388323  0.34123479  0.20781280
   0.29509017  0.39708328  0.16037913
   0.28262375  0.08715709  0.45120293
   0.03999464  0.15565567  0.40873593
   0.07218370  0.08933216  0.58387719
   0.40160279  0.22846000  0.77526079
   0.19938398  0.30994603  0.53397394
   0.35069678  0.47928957  0.83908336
   0.45224447  0.43124276  0.66296991
   0.19902290  0.36338111  0.71100054
   0.30803140  0.20936278 -0.04743967
   0.03784550  0.15073789  0.88357476
   0.12256063  0.55682594  0.07766020
   0.40071588  0.68655196  0.27570003
   0.08330085  0.82658149  0.04630397
   0.38092500  0.92181682  0.34118479
   0.42430825  0.87909876  0.14573409
   0.17990493  0.84950029  0.23117999
   0.32404181  0.65016607  0.45544830
   0.07230092  0.61144338  0.40386509
   0.16193570  0.57843515  0.58481187
   0.35641863  0.72910202  0.77636558
   0.09644057  0.82383731  0.51784677
   0.33805315  0.99208135  0.81586703
   0.44648078  0.93602532  0.64184702
   0.17714354  0.88521062  0.69123008
   0.30133052  0.66401842 -0.02857860
   0.04329476  0.63874967  0.90409382
   0.57304546  0.07571869  0.09324416
   0.82375031  0.21074239  0.29248155
   0.60923467  0.32386853  0.01685586
   0.87817316  0.46014536  0.34825960
   0.03855478  0.36135286  0.20524637
   0.76483243  0.41186178  0.17880206
   0.80005966  0.18515455  0.46060872
   0.54048574  0.12677091  0.40915282
   0.62903273  0.07748174  0.59136929
   0.81280405  0.20582964  0.79540939
   0.61495691  0.33436612  0.52697821
   0.86695427  0.44771498  0.84245759
   0.96727318  0.42917625  0.59778390
   0.72920213  0.41286092  0.68847793
   0.79193105  0.10938942  0.97568636
   0.54754237  0.09257597  0.90691721
   0.59640473  0.57462461  0.08101239
   0.85280774  0.71143203  0.29459342
   0.62184341  0.82409918  0.02616677
   0.86113686  0.95583415  0.34928883
   0.92689407  0.90148329  0.17719378
   0.67609473  0.89740974  0.21420454
   0.81384248  0.65002152  0.47165955
   0.57893095  0.56316172  0.39165190
   0.61869754  0.59772882  0.58427735
   0.84039351  0.67976378  0.76977703
   0.59351290  0.80409949  0.42531855
   0.87532320  0.95018844  0.84575878
   0.91658182  0.89808853  0.66566475
   0.67366191  0.90324313  0.73458799
   0.79117716  0.64963494  0.96221150
   0.54231715  0.63914993  0.89251892
   0.69746116  0.81363780  0.58611921
   0.65913990  0.88727587  0.42912214
   0.87666145  0.19816056  0.13082663
   0.78302954  0.43845597  0.35508915
   0.29394050  0.12038655  0.65062008
   0.26779551  0.76393657  0.78115243
   0.02102129  1.13091110  0.12931755
   0.16029014  1.03563932  0.00448191
   0.61160199  0.34204997  0.85977250
   0.88455217  0.39208491  0.62712321
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893882    0.178261   -0.145979
    -0.000000    9.813766   -0.092395
    -0.000000    0.000000   13.911730
   Si   O    H 
    32    64    10
Direct configuration=   595
   0.14452646  0.16384534 -0.03568082
   0.39813677  0.07879402  0.36371123
   0.14271108  0.40139711  0.11912789
   0.38032616  0.33005254  0.24981280
   0.14829481  0.15911962  0.49468928
   0.39555229  0.13097969  0.86871719
   0.12927657  0.42009244  0.60561124
   0.35061656  0.37951739  0.75183686
   0.13370672  0.67215580 -0.00143298
   0.41894972  0.58525726  0.36963873
   0.08260195  0.90298109  0.15091255
   0.34632362  0.83338057  0.24540644
   0.16934590  0.67817719  0.48703050
   0.37772242  0.63356046  0.87507220
   0.05511648  0.91758872  0.60741036
   0.30978234  0.98281996  0.69583148
   0.62793306  0.15489807  0.99978363
   0.88602045  0.11288782  0.37494237
   0.60876152  0.41503593  0.12383605
   0.87986689  0.30405040  0.20777433
   0.64777357  0.17384424  0.50212097
   0.87949622  0.10330012  0.87872663
   0.59546985  0.43474231  0.61678884
   0.75236896  0.35609222  0.80239518
   0.63592177  0.67126540 -0.00984710
   0.91105514  0.61784127  0.37867984
   0.57903143  0.91356116  0.11970307
   0.82168133  0.86306637  0.25573268
   0.64500026  0.65596217  0.47705450
   0.88103427  0.59686551  0.87077455
   0.61213046  0.92625492  0.63064425
   0.82656956  0.84358120  0.75643394
   0.10174372  0.06796688  0.14205000
   0.36092926  0.16671619  0.26638226
   0.10173604  0.29514358  0.03188212
   0.37242632  0.42982079  0.34671310
   0.53412990  0.34014917  0.20834772
   0.29536412  0.39771379  0.16178600
   0.28277427  0.08634584  0.45217977
   0.03866834  0.15535087  0.40901097
   0.07214357  0.08996220  0.58487807
   0.40261375  0.22838749  0.77399349
   0.19857546  0.31061393  0.53334614
   0.34888305  0.48124115  0.83924630
   0.45315534  0.43054104  0.66274157
   0.20124389  0.36620569  0.71104286
   0.30912604  0.20848033 -0.04838672
   0.03765444  0.15064543  0.88457350
   0.12295980  0.55793608  0.07805761
   0.40108813  0.68605377  0.27432187
   0.08370172  0.82608050  0.04631739
   0.38160020  0.92330253  0.34036405
   0.42389128  0.88011403  0.14576263
   0.18204211  0.84833284  0.23143336
   0.32344256  0.65053241  0.45615033
   0.07149639  0.61161929  0.40266630
   0.16208808  0.57723096  0.58548636
   0.35825634  0.72906447  0.77448573
   0.09596507  0.82455824  0.51656316
   0.33518358  0.99249271  0.81685792
   0.44763900  0.93567093  0.64254636
   0.17685720  0.88627915  0.69114644
   0.29980106  0.66462459 -0.02972207
   0.04252347  0.63754170  0.90655472
   0.57238837  0.07622957  0.09404184
   0.82268163  0.21125427  0.29261908
   0.60836031  0.32419654  0.01606637
   0.87895891  0.45752013  0.34934817
   0.03850112  0.36029249  0.20524798
   0.76446079  0.41381195  0.17883647
   0.79791807  0.18495317  0.46102564
   0.53974720  0.12654516  0.40940258
   0.62761225  0.07767934  0.59104487
   0.81329411  0.20627981  0.79640830
   0.61290344  0.33573952  0.52698396
   0.86593522  0.44936493  0.84251600
   0.96844570  0.42924295  0.59834106
   0.72959784  0.41283209  0.68937052
   0.79227700  0.10921004  0.97608276
   0.54737015  0.09298924  0.90734808
   0.59746433  0.57339911  0.08079900
   0.85501582  0.71126133  0.29442896
   0.62154338  0.82292483  0.02607016
   0.86047490  0.95859490  0.34967858
   0.92771909  0.90174517  0.17577535
   0.67475267  0.89776478  0.21338005
   0.81455735  0.64954363  0.47122887
   0.57767141  0.56557933  0.39121802
   0.61997789  0.59892659  0.58411935
   0.83971101  0.68089446  0.76920763
   0.59326575  0.80273495  0.42488791
   0.87420067  0.94853097  0.84556982
   0.91717826  0.89839249  0.66639955
   0.67235464  0.90483037  0.73491854
   0.79024301  0.65149449  0.96176491
   0.54144523  0.64037873  0.89238102
   0.69582418  0.80798416  0.58676150
   0.65680318  0.88588408  0.42833481
   0.87640845  0.19497017  0.12977720
   0.78265966  0.44179582  0.35853186
   0.29323624  0.11575599  0.65115279
   0.26327583  0.76469698  0.78389487
   0.01979432  1.12979644  0.12636557
   0.15883678  1.03016406  0.00719599
   0.61591804  0.34465910  0.85948775
   0.88827551  0.39199317  0.63060014
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893657    0.178302   -0.148236
    -0.000000    9.813737   -0.089483
    -0.000000    0.000000   13.911338
   Si   O    H 
    32    64    10
Direct configuration=   596
   0.14535780  0.16352763 -0.03528734
   0.39868983  0.07956535  0.36389637
   0.14208811  0.40163011  0.11909856
   0.37984673  0.33053330  0.24958250
   0.14923202  0.16044862  0.49477028
   0.39653949  0.13171747  0.86841691
   0.12817145  0.41869458  0.60532606
   0.35043856  0.37850935  0.75250975
   0.13297750  0.67118462 -0.00204611
   0.41969108  0.58592335  0.36885303
   0.08374930  0.90227402  0.15179784
   0.34753695  0.83276897  0.24478432
   0.17056151  0.67879944  0.48613673
   0.37655256  0.63373959  0.87512513
   0.05429692  0.91853116  0.60767476
   0.30946532  0.98483554  0.69525096
   0.62888203  0.15542774  0.99941819
   0.88645405  0.11151502  0.37404271
   0.60776675  0.41547906  0.12447644
   0.87904910  0.30425217  0.20741136
   0.64635870  0.17436534  0.50172474
   0.87937622  0.10419396  0.87913028
   0.59550796  0.43584688  0.61704945
   0.75102313  0.35664101  0.80159864
   0.63603300  0.67153728 -0.00960005
   0.91090041  0.61860093  0.37828382
   0.57955004  0.91438406  0.11959496
   0.82141635  0.86375586  0.25623753
   0.64479078  0.65584948  0.47667984
   0.87903001  0.59918777  0.86989950
   0.61273960  0.92702431  0.63076014
   0.82683589  0.84322877  0.75635707
   0.10012549  0.06856178  0.14157200
   0.36001142  0.16690111  0.26598539
   0.10313014  0.29456190  0.03159382
   0.37081198  0.42869514  0.34586728
   0.53419213  0.33900251  0.20955244
   0.29598395  0.39782913  0.16294760
   0.28289607  0.08598170  0.45342940
   0.03741456  0.15544854  0.40926973
   0.07237072  0.08953046  0.58536308
   0.40340026  0.22852146  0.77298261
   0.19779824  0.31095666  0.53299892
   0.34701694  0.48250410  0.83982180
   0.45321362  0.42971618  0.66235377
   0.20159690  0.36945005  0.71109226
   0.30934879  0.20733694 -0.04939975
   0.03628905  0.15062233  0.88440604
   0.12400612  0.55839942  0.07905091
   0.40118692  0.68513090  0.27355060
   0.08432117  0.82491100  0.04566178
   0.38278625  0.92366573  0.33910162
   0.42272163  0.88097460  0.14589469
   0.18443072  0.84689005  0.23192413
   0.32308377  0.65242527  0.45675967
   0.07015260  0.61181242  0.40140479
   0.16304595  0.57568798  0.58573267
   0.35978448  0.72907495  0.77294170
   0.09594225  0.82552863  0.51511165
   0.33211833  0.99273698  0.81758549
   0.44982432  0.93510659  0.64296340
   0.17662827  0.88660218  0.69109594
   0.29813091  0.66504258 -0.03077460
   0.04040185  0.63578624  0.90861400
   0.57203429  0.07615290  0.09515815
   0.82160620  0.21112249  0.29289481
   0.60746791  0.32412118  0.01573437
   0.87930308  0.45521994  0.35041693
   0.03879389  0.36006612  0.20521624
   0.76377953  0.41526202  0.17881043
   0.79632623  0.18423379  0.46119811
   0.53963873  0.12636684  0.40971862
   0.62695495  0.07769081  0.59052033
   0.81344417  0.20521746  0.79744519
   0.61112947  0.33631749  0.52690745
   0.86513661  0.45059356  0.84265654
   0.96983971  0.42863852  0.59909722
   0.72994012  0.41300847  0.69042753
   0.79215000  0.10950303  0.97653509
   0.54608988  0.09410375  0.90810080
   0.59872932  0.57273549  0.08029136
   0.85720100  0.71134528  0.29435168
   0.62078417  0.82266501  0.02635083
   0.85963387  0.96117154  0.34993197
   0.92866239  0.90183063  0.17528343
   0.67280402  0.89767132  0.21258268
   0.81547796  0.64927250  0.47118594
   0.57715954  0.56731390  0.39092062
   0.62106748  0.60032471  0.58361163
   0.83859341  0.68237565  0.76880551
   0.59355607  0.80214086  0.42431577
   0.87321198  0.94604865  0.84472755
   0.91778893  0.89820431  0.66679098
   0.67214097  0.90551714  0.73559826
   0.79075463  0.65228370  0.96129960
   0.54053998  0.64172368  0.89223622
   0.69003784  0.80794609  0.58720785
   0.65008031  0.87589363  0.42559629
   0.88013401  0.19425540  0.12969060
   0.78384993  0.44661806  0.35939061
   0.29070214  0.11250217  0.65254391
   0.26474213  0.76619491  0.78201249
   0.02061483  1.12308378  0.12489430
   0.15814788  1.02721614  0.00658550
   0.62691740  0.34532535  0.85684090
   0.89358343  0.38911587  0.63206196
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893788    0.178205   -0.150579
    -0.000000    9.813774   -0.086284
    -0.000000    0.000000   13.910782
   Si   O    H 
    32    64    10
Direct configuration=   597
   0.14742931  0.16376362 -0.03465289
   0.39933487  0.07985355  0.36412798
   0.14171506  0.40227627  0.11916623
   0.37985385  0.33043361  0.24956278
   0.15019253  0.16161429  0.49485892
   0.39752365  0.13246527  0.86779996
   0.12742371  0.41784803  0.60481344
   0.34995184  0.37793301  0.75270525
   0.13223582  0.67045898 -0.00238662
   0.42024070  0.58635671  0.36808713
   0.08456779  0.90179031  0.15230421
   0.34877668  0.83186426  0.24402628
   0.17124298  0.67927804  0.48572674
   0.37582783  0.63390485  0.87447288
   0.05356669  0.91915137  0.60776543
   0.30978542  0.98626700  0.69462545
   0.63007539  0.15588928  0.99897087
   0.88679755  0.11044669  0.37361155
   0.60803239  0.41551703  0.12530960
   0.87873431  0.30469276  0.20690012
   0.64512628  0.17433224  0.50099607
   0.87927542  0.10448915  0.87973930
   0.59576331  0.43754019  0.61728730
   0.74972752  0.35716424  0.80094052
   0.63588469  0.67133952 -0.00987749
   0.91055017  0.61903820  0.37794201
   0.57978445  0.91470627  0.11927098
   0.82163942  0.86416397  0.25628920
   0.64457183  0.65673871  0.47677085
   0.87773338  0.60236921  0.86921988
   0.61324985  0.92764570  0.63099753
   0.82733424  0.84327145  0.75622095
   0.09915510  0.06886476  0.14203650
   0.35848755  0.16715696  0.26568925
   0.10456598  0.29401345  0.03155293
   0.36973728  0.42718635  0.34505154
   0.53404037  0.33803957  0.21112277
   0.29601382  0.39819003  0.16434849
   0.28370325  0.08622964  0.45456495
   0.03611793  0.15482665  0.40994180
   0.07198378  0.08852707  0.58626047
   0.40443188  0.22831050  0.77245793
   0.19707441  0.31108413  0.53257649
   0.34576008  0.48252362  0.84077089
   0.45325599  0.42933269  0.66212882
   0.20048758  0.37301814  0.71069203
   0.30921712  0.20640221 -0.05041019
   0.03531193  0.15070714  0.88387516
   0.12458469  0.55853052  0.08013963
   0.40071820  0.68397164  0.27334328
   0.08498055  0.82328198  0.04529376
   0.38409714  0.92332628  0.33742922
   0.42244341  0.88191848  0.14615977
   0.18663421  0.84552741  0.23229451
   0.32309302  0.65463881  0.45695681
   0.07016469  0.61234457  0.40030860
   0.16377585  0.57430199  0.58524555
   0.36090755  0.72965844  0.77189390
   0.09579555  0.82699636  0.51436044
   0.32950536  0.99220686  0.81878080
   0.45216758  0.93312732  0.64368814
   0.17680363  0.88635699  0.69088880
   0.29584971  0.66517059 -0.03177467
   0.03794713  0.63426431  0.91060144
   0.57171286  0.07625832  0.09561182
   0.82086519  0.21077273  0.29361576
   0.60588501  0.32408192  0.01578129
   0.88086475  0.45430725  0.35168146
   0.03857693  0.35985652  0.20538385
   0.76347102  0.41711054  0.17812525
   0.79491011  0.18318256  0.46158216
   0.53919558  0.12573970  0.41009919
   0.62661999  0.07849972  0.58956156
   0.81362616  0.20453903  0.79780518
   0.60978576  0.33610936  0.52633385
   0.86456779  0.45115904  0.84355334
   0.97074028  0.42793041  0.59985296
   0.72957915  0.41304693  0.69173355
   0.79122349  0.11006251  0.97748928
   0.54447480  0.09487964  0.90911041
   0.60003324  0.57149659  0.08021916
   0.85950872  0.71177324  0.29376843
   0.62058997  0.82308166  0.02704812
   0.85965951  0.96350457  0.35020494
   0.92900642  0.90144616  0.17459736
   0.67085418  0.89823193  0.21234990
   0.81649999  0.64851720  0.47142358
   0.57642554  0.56825927  0.39056668
   0.62100245  0.60085443  0.58322752
   0.83842713  0.68388930  0.76815850
   0.59353749  0.80195212  0.42370482
   0.87210071  0.94410656  0.84445441
   0.91802436  0.89743215  0.66663792
   0.67212106  0.90556487  0.73675281
   0.79081723  0.65306368  0.96074998
   0.53995617  0.64284418  0.89263919
   0.68057475  0.81485252  0.58578170
   0.64738282  0.87818090  0.42326925
   0.88267861  0.19387851  0.12980931
   0.78692663  0.44823751  0.36003343
   0.28534236  0.11038659  0.65207405
   0.27120612  0.76663260  0.77700519
   0.01799723  1.11563666  0.12426456
   0.15906426  1.02630683  0.00415120
   0.63413722  0.34978213  0.85315991
   0.89654563  0.38541026  0.63292394
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893959    0.178060   -0.152500
    -0.000000    9.813826   -0.083350
    -0.000000    0.000000   13.909557
   Si   O    H 
    32    64    10
Direct configuration=   598
   0.14927380  0.16424926 -0.03338971
   0.39974840  0.08069337  0.36479373
   0.14090315  0.40301770  0.11866458
   0.38096281  0.32985908  0.24947651
   0.15057252  0.16204784  0.49476695
   0.39819622  0.13311327  0.86688273
   0.12677641  0.41781909  0.60439579
   0.34992512  0.37723756  0.75245438
   0.13081189  0.67002445 -0.00290801
   0.42057972  0.58668132  0.36758771
   0.08543428  0.90126510  0.15206111
   0.34979861  0.83101218  0.24334280
   0.17137643  0.67972476  0.48539212
   0.37594279  0.63454903  0.87358667
   0.05389813  0.91942379  0.60785366
   0.30992945  0.98719323  0.69467432
   0.63168850  0.15615074  0.99845178
   0.88705284  0.11043307  0.37356512
   0.60916790  0.41523591  0.12584363
   0.87868344  0.30475086  0.20656685
   0.64332499  0.17396086  0.49994494
   0.87888333  0.10476955  0.88011549
   0.59659023  0.43966056  0.61724337
   0.74955839  0.35730850  0.80016934
   0.63498464  0.67084151 -0.01044837
   0.91030005  0.61876260  0.37765880
   0.57950012  0.91419840  0.11888964
   0.82219723  0.86447038  0.25664463
   0.64467026  0.65791060  0.47689993
   0.87703232  0.60576026  0.86850821
   0.61374035  0.92765418  0.63111463
   0.82763663  0.84439036  0.75570153
   0.09822856  0.06869754  0.14287505
   0.35646185  0.16652102  0.26515931
   0.10622045  0.29332583  0.03160542
   0.36864208  0.42551158  0.34436262
   0.53421380  0.33717484  0.21244935
   0.29573067  0.39872064  0.16532753
   0.28410322  0.08663751  0.45574894
   0.03550930  0.15453998  0.40996394
   0.07107987  0.08720929  0.58700919
   0.40565497  0.22810275  0.77155662
   0.19658366  0.31034378  0.53230078
   0.34424912  0.48197541  0.84211252
   0.45287478  0.42908641  0.66264564
   0.19903888  0.37474139  0.70981031
   0.30869840  0.20532436 -0.05169627
   0.03407644  0.15083806  0.88335477
   0.12552125  0.55866947  0.08132670
   0.40064375  0.68252382  0.27322724
   0.08602459  0.82142694  0.04533803
   0.38504769  0.92291884  0.33562295
   0.42185218  0.88292575  0.14686950
   0.18898107  0.84416425  0.23273747
   0.32304794  0.65688713  0.45670058
   0.06989432  0.61356634  0.39975116
   0.16442408  0.57326733  0.58459100
   0.36164122  0.72942266  0.77107299
   0.09587005  0.82777220  0.51350439
   0.32691392  0.99185567  0.81926735
   0.45359545  0.93085018  0.64446436
   0.17678051  0.88694881  0.69013292
   0.29315669  0.66547585 -0.03224378
   0.03557062  0.63271854  0.91226133
   0.57255344  0.07662002  0.09564598
   0.82015282  0.21103328  0.29375070
   0.60426348  0.32332264  0.01635548
   0.88301653  0.45370512  0.35293867
   0.03847766  0.36044915  0.20579884
   0.76329961  0.41870348  0.17725229
   0.79396865  0.18178791  0.46137768
   0.53867210  0.12536892  0.41052856
   0.62656197  0.07988159  0.58859773
   0.81406076  0.20312104  0.79754120
   0.60859512  0.33513493  0.52625963
   0.86425575  0.45208531  0.84499679
   0.97179321  0.42637642  0.60090356
   0.72897135  0.41266047  0.69299041
   0.79106326  0.11065896  0.97845229
   0.54206259  0.09561711  0.91005585
   0.60146006  0.56920006  0.07985990
   0.86161674  0.71262599  0.29299827
   0.62009898  0.82279640  0.02770470
   0.85974437  0.96505459  0.35056496
   0.93001974  0.90073406  0.17410651
   0.66941340  0.89889200  0.21232981
   0.81793636  0.64727390  0.47146757
   0.57709505  0.56822128  0.39008339
   0.62049243  0.60083784  0.58314820
   0.83868126  0.68494274  0.76765682
   0.59315628  0.80176996  0.42301428
   0.87109121  0.94272814  0.84425971
   0.91736686  0.89603383  0.66599401
   0.67212967  0.90534803  0.73864327
   0.79122394  0.65364187  0.96005354
   0.53884702  0.64420281  0.89367752
   0.67397941  0.81990012  0.57874424
   0.64796445  0.88409761  0.42198491
   0.88373835  0.19782960  0.12869682
   0.78464694  0.44585482  0.35950122
   0.27738193  0.11371806  0.64917438
   0.27342720  0.76750004  0.77102056
   0.00818174  1.11522076  0.12433158
   0.15935633  1.02811865 -0.00258922
   0.63415519  0.35423366  0.85245997
   0.89622378  0.38173609  0.63423951
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894432    0.178213   -0.154279
    -0.000000    9.814075   -0.080149
    -0.000000    0.000000   13.908086
   Si   O    H 
    32    64    10
Direct configuration=   599
   0.15148431  0.16392834 -0.03211825
   0.39974053  0.08103981  0.36564077
   0.14026251  0.40344629  0.11827072
   0.38194416  0.32919909  0.24909301
   0.15070643  0.16200274  0.49439269
   0.39910115  0.13326778  0.86529657
   0.12580497  0.41797918  0.60425383
   0.34992992  0.37702854  0.75205769
   0.12983436  0.67031394 -0.00318176
   0.42011610  0.58673141  0.36740191
   0.08576661  0.90056021  0.15132969
   0.35052256  0.83038289  0.24277481
   0.17119630  0.67931146  0.48538038
   0.37668152  0.63589641  0.87233952
   0.05417100  0.92051554  0.60809019
   0.31019541  0.98735546  0.69464150
   0.63326102  0.15673381  0.99798972
   0.88708438  0.11108716  0.37354868
   0.61021341  0.41525582  0.12627686
   0.87904337  0.30475499  0.20632703
   0.64172471  0.17369590  0.49837733
   0.87849647  0.10485227  0.88033003
   0.59782128  0.44135474  0.61745772
   0.74934840  0.35763314  0.79924670
   0.63358518  0.67015388 -0.01097543
   0.90965887  0.61840714  0.37797765
   0.57861883  0.91382111  0.11857622
   0.82330559  0.86455336  0.25681252
   0.64540872  0.65960640  0.47624592
   0.87659238  0.60902093  0.86831355
   0.61419522  0.92758179  0.63130769
   0.82793863  0.84558148  0.75517821
   0.09784605  0.06783547  0.14371265
   0.35434051  0.16658585  0.26501984
   0.10744917  0.29305463  0.03222616
   0.36816217  0.42445785  0.34396469
   0.53417493  0.33701579  0.21325713
   0.29445640  0.39865802  0.16594362
   0.28474924  0.08751039  0.45623227
   0.03473593  0.15526225  0.40969847
   0.06974932  0.08627363  0.58738009
   0.40652680  0.22821470  0.77079540
   0.19621473  0.31021556  0.53208644
   0.34254628  0.48222508  0.84302886
   0.45234108  0.42881816  0.66363205
   0.19740171  0.37625727  0.70895397
   0.30816207  0.20473591 -0.05361688
   0.03309161  0.15186476  0.88259541
   0.12615538  0.55883723  0.08277719
   0.40076137  0.68066590  0.27290310
   0.08740896  0.81964288  0.04484026
   0.38585318  0.92310323  0.33396231
   0.42112915  0.88384313  0.14797836
   0.19110857  0.84296237  0.23308938
   0.32460130  0.65975238  0.45577237
   0.07076461  0.61556304  0.40009523
   0.16458174  0.57234531  0.58377442
   0.36243920  0.72872927  0.77075399
   0.09570564  0.82898373  0.51262453
   0.32465596  0.99173082  0.81918691
   0.45462129  0.92925451  0.64500595
   0.17681732  0.88738761  0.68879925
   0.28997910  0.66552368 -0.03241128
   0.03250963  0.63181973  0.91262332
   0.57349919  0.07709637  0.09533008
   0.81949979  0.21157211  0.29356804
   0.60259467  0.32169275  0.01712826
   0.88435524  0.45317842  0.35392771
   0.03845754  0.36120649  0.20646294
   0.76322064  0.41942734  0.17596271
   0.79369545  0.18047038  0.46084142
   0.53813191  0.12561877  0.41166874
   0.62687040  0.08087685  0.58787166
   0.81405336  0.20108577  0.79707820
   0.60755814  0.33484899  0.52647382
   0.86481536  0.45216285  0.84632449
   0.97189515  0.42469029  0.60193354
   0.72837329  0.41204242  0.69420365
   0.79120655  0.11210820  0.97977482
   0.54115771  0.09597263  0.91046196
   0.60273142  0.56693347  0.07939205
   0.86300120  0.71372436  0.29208811
   0.61882398  0.82295181  0.02898766
   0.85905984  0.96538919  0.35061754
   0.93034695  0.90035022  0.17368216
   0.66881450  0.89896907  0.21324102
   0.81929868  0.64629639  0.47119747
   0.57753054  0.56776846  0.38939182
   0.61989756  0.59986078  0.58344950
   0.83908824  0.68550545  0.76714929
   0.59266092  0.80143327  0.42323904
   0.86999597  0.94123025  0.84432570
   0.91715310  0.89441254  0.66569091
   0.67205041  0.90508914  0.74033823
   0.79074109  0.65544749  0.95882315
   0.53793005  0.64571032  0.89488562
   0.67046319  0.82082009  0.57090551
   0.65073840  0.88635250  0.41990856
   0.88618809  0.20324731  0.12765827
   0.78109121  0.44221571  0.35885393
   0.27123003  0.11993282  0.64602710
   0.26806208  0.77057641  0.76349111
   0.00253240  1.11479210  0.12593416
   0.16043851  1.02776532 -0.00770731
   0.62560940  0.35619318  0.85439218
   0.90203728  0.37902903  0.63325412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895510    0.178236   -0.155973
    -0.000000    9.814390   -0.076626
    -0.000000    0.000000   13.906568
   Si   O    H 
    32    64    10
Direct configuration=   600
   0.15362113  0.16322566 -0.03100439
   0.39923343  0.08145278  0.36661060
   0.13934690  0.40381411  0.11789035
   0.38228931  0.32892937  0.24856720
   0.15051143  0.16220812  0.49372310
   0.40002975  0.13278049  0.86421456
   0.12533741  0.41853742  0.60413229
   0.35003631  0.37680904  0.75140166
   0.12888722  0.67078797 -0.00291527
   0.41963602  0.58650836  0.36705360
   0.08608100  0.89972815  0.15069597
   0.35150938  0.82955955  0.24218911
   0.17001091  0.67871332  0.48565132
   0.37742538  0.63741392  0.87101417
   0.05484800  0.92155803  0.60839264
   0.31113662  0.98730866  0.69471119
   0.63399689  0.15779054  0.99739129
   0.88686250  0.11261006  0.37328356
   0.61102678  0.41501444  0.12647687
   0.87896444  0.30520467  0.20637993
   0.64005921  0.17348099  0.49671128
   0.87787747  0.10399486  0.88006594
   0.59916925  0.44275448  0.61760041
   0.74932802  0.35771033  0.79827425
   0.63237278  0.66981847 -0.01163699
   0.90921302  0.61726305  0.37853911
   0.57796996  0.91357330  0.11802684
   0.82474086  0.86512983  0.25682868
   0.64661214  0.66180580  0.47531957
   0.87702035  0.61191358  0.86800574
   0.61457427  0.92747461  0.63140790
   0.82809127  0.84742942  0.75516145
   0.09742059  0.06686835  0.14430120
   0.35170332  0.16584952  0.26548112
   0.10843101  0.29255419  0.03273294
   0.36797723  0.42452357  0.34373663
   0.53450916  0.33632674  0.21370775
   0.29270698  0.39846269  0.16641273
   0.28646201  0.08828850  0.45674209
   0.03469308  0.15666123  0.40987344
   0.06912554  0.08574790  0.58729557
   0.40779646  0.22829844  0.77045906
   0.19491616  0.31021198  0.53159402
   0.34153362  0.48186470  0.84350584
   0.45241532  0.42887048  0.66484000
   0.19667236  0.37729894  0.70870815
   0.30725429  0.20459748 -0.05521108
   0.03202674  0.15323463  0.88210703
   0.12667796  0.55882970  0.08436693
   0.40164029  0.67870068  0.27176259
   0.08826961  0.81743781  0.04402936
   0.38618386  0.92281260  0.33240718
   0.42027371  0.88502584  0.14857309
   0.19315638  0.84198990  0.23271253
   0.32640550  0.66238203  0.45506986
   0.07164528  0.61744599  0.40050289
   0.16464226  0.57222450  0.58247443
   0.36261466  0.72764627  0.77063997
   0.09586238  0.82943785  0.51184943
   0.32289256  0.99192654  0.81894459
   0.45398644  0.92743403  0.64557206
   0.17630342  0.88750197  0.68730141
   0.28681626  0.66624314 -0.03171953
   0.02971559  0.63049499  0.91262520
   0.57480267  0.07781812  0.09444781
   0.81930347  0.21263423  0.29281580
   0.60061031  0.32017128  0.01773921
   0.88444290  0.45269340  0.35504612
   0.03881621  0.36227511  0.20712021
   0.76307766  0.41969682  0.17444513
   0.79299402  0.17875034  0.46081802
   0.53765269  0.12540358  0.41304097
   0.62770709  0.08219885  0.58719188
   0.81473978  0.19971506  0.79575644
   0.60662079  0.33495200  0.52644549
   0.86483928  0.45179005  0.84773430
   0.97154021  0.42303711  0.60329920
   0.72728802  0.41214424  0.69481833
   0.79151357  0.11308362  0.98060205
   0.54065058  0.09605721  0.91096506
   0.60396193  0.56424817  0.07882001
   0.86466689  0.71516553  0.29115634
   0.61790007  0.82346080  0.02978436
   0.85770620  0.96440907  0.35020120
   0.92957148  0.89986852  0.17366742
   0.66919433  0.89922887  0.21413954
   0.82058214  0.64554022  0.47086184
   0.57805574  0.56731825  0.38898576
   0.61946159  0.59890485  0.58294657
   0.83946973  0.68505660  0.76616271
   0.59219090  0.80203783  0.42382323
   0.86967991  0.93950878  0.84492492
   0.91710096  0.89231652  0.66514422
   0.67234144  0.90530826  0.74198316
   0.79023804  0.65831073  0.95786843
   0.53631043  0.64702679  0.89595696
   0.67008860  0.82490227  0.56440404
   0.64679395  0.87874764  0.41841388
   0.88739975  0.20631764  0.12524040
   0.78772871  0.43593696  0.35503419
   0.27089057  0.12240946  0.64568860
   0.26886632  0.76593914  0.75596164
   0.00653057  1.11039548  0.13138158
   0.16323924  1.02403590 -0.00635416
   0.61484507  0.35795836  0.85469604
   0.90359875  0.37747095  0.63419986
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896854    0.178232   -0.157271
    -0.000000    9.814561   -0.073190
    -0.000000    0.000000   13.905280
   Si   O    H 
    32    64    10
Direct configuration=   601
   0.15487352  0.16289678 -0.02995599
   0.39864195  0.08120978  0.36724585
   0.13865837  0.40335587  0.11773519
   0.38261430  0.32894848  0.24822668
   0.14990973  0.16309162  0.49314093
   0.39996919  0.13212046  0.86326579
   0.12494519  0.41950795  0.60435628
   0.35000059  0.37758578  0.75058433
   0.12824222  0.67131461 -0.00218075
   0.41907961  0.58598744  0.36664845
   0.08667526  0.89959225  0.14989665
   0.35255806  0.82836788  0.24178762
   0.16900195  0.67848853  0.48663814
   0.37796735  0.63940676  0.86945684
   0.05581128  0.92280354  0.60847405
   0.31205784  0.98747043  0.69521044
   0.63504677  0.15910414  0.99712291
   0.88657819  0.11460890  0.37354915
   0.61219952  0.41439323  0.12634248
   0.87921011  0.30614573  0.20622968
   0.63862373  0.17398928  0.49486792
   0.87765438  0.10338615  0.87967230
   0.60042126  0.44409234  0.61755854
   0.75001306  0.35819843  0.79813801
   0.63116461  0.66962813 -0.01222107
   0.90872907  0.61582087  0.37928432
   0.57701466  0.91357833  0.11768892
   0.82603873  0.86531494  0.25680302
   0.64840281  0.66356505  0.47434459
   0.87766807  0.61357573  0.86792987
   0.61460323  0.92755888  0.63131772
   0.82767117  0.84910838  0.75498429
   0.09660880  0.06644281  0.14556316
   0.34929181  0.16580454  0.26629357
   0.10899530  0.29275346  0.03309538
   0.36776903  0.42547135  0.34385874
   0.53554100  0.33684432  0.21357667
   0.29134798  0.39814575  0.16668325
   0.28852274  0.08986667  0.45708111
   0.03534476  0.15751688  0.41006040
   0.06880846  0.08458456  0.58692881
   0.40879621  0.22967459  0.77006104
   0.19347959  0.31056524  0.53053928
   0.34069111  0.48070287  0.84392089
   0.45251519  0.42905214  0.66585110
   0.19443908  0.37852885  0.70865271
   0.30712508  0.20460278 -0.05667483
   0.03158723  0.15448334  0.88234731
   0.12663266  0.55914621  0.08525814
   0.40194345  0.67683055  0.27038823
   0.08976222  0.81614249  0.04374722
   0.38745179  0.92304749  0.33124117
   0.42007976  0.88629565  0.14910592
   0.19451253  0.84156923  0.23268362
   0.32894043  0.66472807  0.45463453
   0.07265794  0.61903643  0.40061876
   0.16471607  0.57277470  0.58124627
   0.36199075  0.72735458  0.77076121
   0.09583497  0.83050804  0.51113502
   0.32168829  0.99298082  0.81830361
   0.45245287  0.92650471  0.64618963
   0.17653358  0.88764174  0.68652123
   0.28382765  0.66684967 -0.03118908
   0.02729353  0.62967920  0.91237468
   0.57607543  0.07881705  0.09349226
   0.81894615  0.21331547  0.29189698
   0.59867451  0.31898295  0.01867383
   0.88440045  0.45220266  0.35583304
   0.03908747  0.36374331  0.20795192
   0.76341176  0.41951886  0.17306098
   0.79224692  0.17737694  0.46040878
   0.53721377  0.12509178  0.41433639
   0.62795720  0.08419430  0.58674678
   0.81420947  0.19971270  0.79459068
   0.60577613  0.33501494  0.52583509
   0.86548004  0.45096221  0.84891024
   0.97143356  0.42211198  0.60342869
   0.72601092  0.41255420  0.69477648
   0.79145053  0.11432454  0.98160772
   0.54081144  0.09599802  0.91155039
   0.60565939  0.56265942  0.07903160
   0.86633137  0.71676144  0.29007927
   0.61730606  0.82396823  0.03019286
   0.85681248  0.96334797  0.34953131
   0.92879026  0.89988848  0.17393497
   0.66929680  0.89863938  0.21550548
   0.82188802  0.64575917  0.47062089
   0.57910235  0.56630312  0.38911910
   0.61937298  0.59666273  0.58251651
   0.83973906  0.68510633  0.76535576
   0.59103840  0.80361549  0.42441260
   0.86913694  0.93804675  0.84600687
   0.91711945  0.89103012  0.66438738
   0.67277138  0.90556872  0.74309563
   0.79001537  0.66190198  0.95738031
   0.53285369  0.64878620  0.89741321
   0.66839288  0.83279282  0.55927879
   0.64641563  0.87630311  0.41896823
   0.89136883  0.20898530  0.12314251
   0.79339494  0.42584289  0.35240640
   0.27441094  0.12081985  0.64811000
   0.27648400  0.75982055  0.74944290
   0.01588194  1.10669595  0.13576120
   0.16868683  1.01942622 -0.00412406
   0.60549009  0.36163650  0.85191142
   0.90171462  0.36755181  0.63740264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898310    0.178185   -0.158567
    -0.000000    9.814619   -0.069753
    -0.000000    0.000000   13.903763
   Si   O    H 
    32    64    10
Direct configuration=   602
   0.15531867  0.16213377 -0.02873460
   0.39819748  0.08046435  0.36769250
   0.13809742  0.40332466  0.11782540
   0.38293894  0.32889369  0.24782003
   0.14933938  0.16390599  0.49285651
   0.39950495  0.13112258  0.86253479
   0.12396559  0.42010024  0.60455259
   0.34950948  0.37841786  0.74957551
   0.12795963  0.67121035 -0.00086856
   0.41830890  0.58553607  0.36607978
   0.08770531  0.89906610  0.14897110
   0.35398971  0.82757258  0.24161256
   0.16800394  0.67807679  0.48716503
   0.37816182  0.64139034  0.86780296
   0.05684474  0.92409216  0.60848263
   0.31293997  0.98736472  0.69561294
   0.63584389  0.16009187  0.99738290
   0.88577569  0.11708941  0.37353066
   0.61368463  0.41361679  0.12586423
   0.87934867  0.30663692  0.20616473
   0.63757678  0.17494992  0.49309792
   0.87680714  0.10307514  0.87911046
   0.60187895  0.44530837  0.61756694
   0.75041593  0.35791929  0.79872464
   0.63048105  0.66951897 -0.01239540
   0.90822708  0.61422218  0.38021806
   0.57629471  0.91406096  0.11753801
   0.82705238  0.86514307  0.25697851
   0.65054240  0.66531500  0.47344491
   0.87746113  0.61487202  0.86767615
   0.61354017  0.92723580  0.63143400
   0.82744596  0.85074968  0.75472376
   0.09709128  0.06551988  0.14648787
   0.34688696  0.16579009  0.26717081
   0.10981860  0.29295685  0.03374717
   0.36796101  0.42611731  0.34427292
   0.53720289  0.33765004  0.21325564
   0.28967671  0.39723830  0.16695436
   0.29101430  0.09180666  0.45760540
   0.03640698  0.15731555  0.40997256
   0.06896634  0.08311604  0.58605612
   0.41052580  0.23140216  0.77058755
   0.19230206  0.31046145  0.52965126
   0.34047631  0.47946183  0.84522689
   0.45343633  0.42938147  0.66658348
   0.19203510  0.37946433  0.70900006
   0.30735536  0.20459635 -0.05782103
   0.03078995  0.15548076  0.88276353
   0.12774274  0.55992267  0.08622786
   0.40230971  0.67548910  0.26907279
   0.09097654  0.81543623  0.04353042
   0.38876722  0.92321842  0.33044334
   0.41992748  0.88708380  0.14925325
   0.19437188  0.84087134  0.23235588
   0.33096149  0.66619340  0.45373278
   0.07312638  0.61986763  0.40118480
   0.16429700  0.57452181  0.57977787
   0.36179448  0.72689618  0.77107285
   0.09627302  0.83186478  0.51073366
   0.32179647  0.99379798  0.81771960
   0.45118976  0.92615891  0.64668535
   0.17699610  0.88772960  0.68613845
   0.28168504  0.66687573 -0.03063497
   0.02488797  0.62891923  0.91228024
   0.57840329  0.07915702  0.09257876
   0.81794005  0.21413646  0.29089960
   0.59645478  0.31865583  0.01994279
   0.88408927  0.45212383  0.35594589
   0.03882744  0.36534565  0.20903828
   0.76402404  0.41936096  0.17158805
   0.79212322  0.17644357  0.46042727
   0.53686386  0.12590912  0.41513091
   0.62893766  0.08581585  0.58673178
   0.81314257  0.19987047  0.79349579
   0.60399242  0.33435159  0.52539568
   0.86556815  0.44959075  0.84975839
   0.97010032  0.42112127  0.60311736
   0.72486639  0.41203991  0.69397238
   0.79190140  0.11601491  0.98195455
   0.54198015  0.09525190  0.91201171
   0.60695533  0.56167121  0.07956344
   0.86836553  0.71771894  0.28886375
   0.61773096  0.82384353  0.03049767
   0.85550688  0.96219629  0.34873755
   0.92803432  0.89939075  0.17405700
   0.66967339  0.89745294  0.21653189
   0.82346163  0.64635558  0.47045699
   0.58013848  0.56544747  0.38970923
   0.61973306  0.59425846  0.58213918
   0.84065093  0.68545730  0.76467876
   0.58932521  0.80391773  0.42526505
   0.86897088  0.93689864  0.84700168
   0.91760763  0.89013896  0.66339272
   0.67383436  0.90602993  0.74381494
   0.78963355  0.66524459  0.95656392
   0.53011669  0.65004530  0.89836151
   0.67224062  0.84087608  0.55671090
   0.65602632  0.88575470  0.41753275
   0.89414148  0.21275046  0.12182680
   0.79179892  0.41376069  0.35079860
   0.27614563  0.11275820  0.65274764
   0.26840206  0.75429021  0.74340625
   0.00825009  1.11361388  0.13645027
   0.16930255  1.01906839 -0.00195662
   0.60836288  0.36385577  0.84770437
   0.90494220  0.35925287  0.63729105
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899667    0.178313   -0.160234
    -0.000000    9.814352   -0.066191
    -0.000000    0.000000   13.902225
   Si   O    H 
    32    64    10
Direct configuration=   603
   0.15598066  0.16192137 -0.02749777
   0.39690781  0.07891123  0.36819209
   0.13813702  0.40306907  0.11839316
   0.38285461  0.32814623  0.24752078
   0.14932877  0.16441522  0.49239245
   0.39914206  0.12971328  0.86207260
   0.12356255  0.42028785  0.60470544
   0.34907201  0.37964210  0.74848523
   0.12738073  0.67101387 -0.00008799
   0.41783494  0.58532647  0.36540555
   0.08884535  0.89875630  0.14798320
   0.35538514  0.82684286  0.24134066
   0.16711816  0.67803761  0.48772762
   0.37820105  0.64305901  0.86599522
   0.05772269  0.92525172  0.60852435
   0.31373877  0.98706165  0.69632431
   0.63692171  0.16075718  0.99715806
   0.88505878  0.11941717  0.37352352
   0.61575545  0.41280629  0.12590353
   0.87923963  0.30762584  0.20561041
   0.63700462  0.17611726  0.49167630
   0.87639080  0.10335684  0.87816621
   0.60330963  0.44572156  0.61760265
   0.75015480  0.35813802  0.79951414
   0.63043692  0.66900841 -0.01207729
   0.90827183  0.61284693  0.38048599
   0.57517559  0.91502247  0.11746732
   0.82813604  0.86529262  0.25693385
   0.65276538  0.66657880  0.47245826
   0.87775288  0.61553247  0.86791786
   0.61237384  0.92664583  0.63154619
   0.82759260  0.85280237  0.75458228
   0.09861659  0.06463857  0.14714591
   0.34453630  0.16616946  0.26819530
   0.11089644  0.29403607  0.03481362
   0.36823687  0.42633459  0.34482566
   0.53868818  0.33836200  0.21308327
   0.28871150  0.39647220  0.16715863
   0.29341812  0.09281195  0.45773892
   0.03684124  0.15689546  0.40948257
   0.06925797  0.08275102  0.58460732
   0.41201280  0.23329787  0.77073947
   0.19115836  0.31020096  0.52906114
   0.34023244  0.47823495  0.84647947
   0.45464744  0.42944428  0.66699614
   0.19010842  0.37907555  0.70937462
   0.30763036  0.20456054 -0.05857228
   0.03116366  0.15653613  0.88347382
   0.12817645  0.56009078  0.08746636
   0.40255614  0.67322733  0.26770425
   0.09258435  0.81457108  0.04396254
   0.39000726  0.92455344  0.33026807
   0.42035204  0.88793419  0.14976162
   0.19402999  0.84092732  0.23138824
   0.33250246  0.66775663  0.45286184
   0.07323320  0.62029970  0.40127141
   0.16330754  0.57671304  0.57815204
   0.36116109  0.72560090  0.77168440
   0.09723732  0.83335106  0.51058271
   0.32189491  0.99474630  0.81725450
   0.44997424  0.92627518  0.64667486
   0.17716680  0.88634828  0.68598245
   0.28017154  0.66678363 -0.03073949
   0.02311809  0.62894949  0.91224917
   0.57976726  0.07923200  0.09197345
   0.81721796  0.21515384  0.28985739
   0.59518178  0.31856747  0.02146489
   0.88275465  0.45230735  0.35575906
   0.03817202  0.36690956  0.21004105
   0.76502982  0.41846323  0.16956136
   0.79206845  0.17634739  0.46035719
   0.53644078  0.12641842  0.41565329
   0.62945136  0.08706739  0.58714810
   0.81188451  0.19987811  0.79212261
   0.60248416  0.33324788  0.52491704
   0.86503954  0.44789830  0.85120293
   0.96812925  0.41941816  0.60272688
   0.72431220  0.41184004  0.69285038
   0.79336581  0.11744959  0.98183987
   0.54329169  0.09524247  0.91231453
   0.60746570  0.56161463  0.08012244
   0.86983784  0.71804436  0.28797166
   0.61912557  0.82349924  0.03023341
   0.85550131  0.96168462  0.34821180
   0.92726700  0.89902106  0.17378234
   0.67061467  0.89593631  0.21696305
   0.82388113  0.64667161  0.47051628
   0.58096523  0.56457519  0.39003489
   0.62009806  0.59296042  0.58149231
   0.84163193  0.68622178  0.76433378
   0.58817672  0.80493765  0.42585092
   0.86977427  0.93679847  0.84792805
   0.91744612  0.88953412  0.66221938
   0.67516423  0.90666161  0.74445695
   0.78982569  0.66857039  0.95605696
   0.52755396  0.65090154  0.90023533
   0.67681776  0.84802820  0.55774383
   0.65720950  0.88588577  0.41677810
   0.89845828  0.21506601  0.11729933
   0.79043709  0.40657384  0.35135795
   0.27946979  0.10776479  0.65548155
   0.26652105  0.74731654  0.74011372
   0.00336643  1.11679736  0.13760092
   0.16896442  1.02090018  0.00053920
   0.61772759  0.36883401  0.84324431
   0.91256021  0.35801769  0.63514275
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900889    0.178730   -0.162210
    -0.000000    9.814167   -0.062291
    -0.000000    0.000000   13.901330
   Si   O    H 
    32    64    10
Direct configuration=   604
   0.15666352  0.16189978 -0.02642004
   0.39579868  0.07771321  0.36884980
   0.13849082  0.40278270  0.11909280
   0.38334733  0.32746483  0.24740404
   0.14923497  0.16444652  0.49228970
   0.39924410  0.12844665  0.86199092
   0.12388502  0.42034416  0.60495898
   0.34870703  0.38141824  0.74765586
   0.12674057  0.67048272  0.00061412
   0.41727615  0.58512394  0.36493687
   0.09021622  0.89826603  0.14712834
   0.35620493  0.82597493  0.24104824
   0.16628310  0.67806060  0.48827929
   0.37811866  0.64443813  0.86448214
   0.05917523  0.92609833  0.60871373
   0.31462019  0.98604052  0.69732300
   0.63720732  0.16121282  0.99688126
   0.88460116  0.12157712  0.37353311
   0.61741561  0.41187759  0.12553394
   0.87927535  0.30892768  0.20464566
   0.63579483  0.17744001  0.49037426
   0.87597901  0.10322073  0.87714189
   0.60379756  0.44583081  0.61744142
   0.75007112  0.35887953  0.80034857
   0.63001775  0.66921186 -0.01183429
   0.90944064  0.61196386  0.38049011
   0.57418124  0.91669669  0.11703544
   0.82830536  0.86637048  0.25686994
   0.65493741  0.66710584  0.47184456
   0.87805286  0.61516023  0.86805021
   0.61137262  0.92662623  0.63175246
   0.82703559  0.85413933  0.75476462
   0.09941223  0.06427083  0.14753755
   0.34290592  0.16645278  0.26954100
   0.11096186  0.29517161  0.03581218
   0.36834885  0.42651757  0.34533777
   0.54000167  0.33891211  0.21242856
   0.28715837  0.39593127  0.16679840
   0.29514384  0.09351771  0.45768535
   0.03808156  0.15681282  0.40842983
   0.06989955  0.08329365  0.58327228
   0.41353368  0.23438772  0.77067440
   0.19013694  0.31051377  0.52860988
   0.34033467  0.47717118  0.84759128
   0.45589350  0.42990628  0.66698494
   0.18785746  0.37837326  0.70976967
   0.30770216  0.20488671 -0.05953650
   0.03164034  0.15797217  0.88441393
   0.12864052  0.56038886  0.08844006
   0.40250948  0.67126908  0.26654819
   0.09337927  0.81389203  0.04392801
   0.39167025  0.92540169  0.33013896
   0.42153776  0.88834091  0.14973068
   0.19391285  0.84041547  0.23055397
   0.33431736  0.66925057  0.45212364
   0.07306511  0.62069479  0.40170080
   0.16171256  0.57822044  0.57682610
   0.35973551  0.72512537  0.77215691
   0.09744473  0.83448971  0.51085946
   0.32272953  0.99672982  0.81659512
   0.44792268  0.92629043  0.64711129
   0.17830633  0.88526880  0.68625138
   0.27967999  0.66616313 -0.03101984
   0.02163962  0.62945452  0.91209666
   0.58119804  0.07868610  0.09189062
   0.81633222  0.21554011  0.28838571
   0.59450816  0.31823799  0.02322355
   0.88164576  0.45181747  0.35571825
   0.03723814  0.36879177  0.21066943
   0.76626628  0.41679380  0.16787932
   0.79156606  0.17596152  0.45949461
   0.53486890  0.12694240  0.41554653
   0.62903333  0.08784145  0.58729520
   0.81047791  0.20039584  0.79095982
   0.60059409  0.33183991  0.52477661
   0.86364627  0.44754515  0.85250225
   0.96583728  0.41853600  0.60175544
   0.72359737  0.41186235  0.69199728
   0.79436847  0.11969951  0.98174744
   0.54461712  0.09508967  0.91274716
   0.60702269  0.56200705  0.08011799
   0.87157523  0.71760671  0.28756794
   0.62008899  0.82263525  0.03011849
   0.85488281  0.96189807  0.34789419
   0.92609335  0.89906704  0.17338548
   0.67194626  0.89442675  0.21735386
   0.82315001  0.64765364  0.47128101
   0.58245946  0.56315622  0.38971170
   0.62065212  0.59225337  0.58028706
   0.84225402  0.68700381  0.76425903
   0.58791029  0.80657318  0.42677625
   0.87086891  0.93733003  0.84915310
   0.91636696  0.88868429  0.66112427
   0.67475457  0.90696012  0.74408879
   0.78956457  0.67108701  0.95568847
   0.52584562  0.65143392  0.90192560
   0.68329386  0.85186279  0.56001051
   0.64656375  0.87499229  0.41564323
   0.89966617  0.21707603  0.11685603
   0.79413652  0.40451547  0.35326520
   0.28374864  0.11281269  0.65614695
   0.27125272  0.74109441  0.73888804
   0.00981159  1.11881025  0.13818239
   0.16801487  1.01956095  0.00194541
   0.62647941  0.37696769  0.84027157
   0.91526643  0.35106339  0.63293490
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901705    0.179605   -0.163900
    -0.000000    9.813671   -0.058840
    -0.000000    0.000000   13.900199
   Si   O    H 
    32    64    10
Direct configuration=   605
   0.15706734  0.16212873 -0.02602061
   0.39429124  0.07686808  0.36975697
   0.13928683  0.40267597  0.11952420
   0.38361207  0.32691612  0.24757717
   0.14910276  0.16383504  0.49200833
   0.39959282  0.12728672  0.86202736
   0.12502122  0.42078992  0.60476381
   0.34801032  0.38329840  0.74726311
   0.12602658  0.66907827  0.00094689
   0.41645976  0.58456944  0.36476805
   0.09047831  0.89767508  0.14678351
   0.35684871  0.82508577  0.24088534
   0.16545701  0.67796489  0.48829530
   0.37730550  0.64443608  0.86344637
   0.06078985  0.92655283  0.60881487
   0.31500443  0.98496374  0.69822929
   0.63732021  0.16185589  0.99683737
   0.88396838  0.12365819  0.37384534
   0.61862689  0.41059217  0.12527468
   0.87944790  0.31013191  0.20310948
   0.63528620  0.17913352  0.48951306
   0.87562038  0.10285480  0.87664458
   0.60386067  0.44524018  0.61649642
   0.75022060  0.35962913  0.80059879
   0.63011957  0.66970747 -0.01132294
   0.91059494  0.61102919  0.38052427
   0.57300250  0.91806474  0.11688145
   0.82867318  0.86751058  0.25689782
   0.65667574  0.66686087  0.47144075
   0.87849671  0.61462206  0.86825082
   0.61050075  0.92702696  0.63216375
   0.82672074  0.85549392  0.75469301
   0.10005188  0.06360651  0.14820354
   0.34116626  0.16690064  0.27054338
   0.11097685  0.29671317  0.03636056
   0.36767880  0.42683336  0.34590923
   0.54132864  0.33968156  0.21156080
   0.28675039  0.39554668  0.16604849
   0.29631919  0.09445910  0.45762634
   0.03904530  0.15660473  0.40706774
   0.07057926  0.08443551  0.58190339
   0.41492496  0.23446862  0.77020684
   0.18848879  0.31181619  0.52774027
   0.34139434  0.47683860  0.84837570
   0.45585182  0.43070115  0.66710920
   0.18665388  0.37832840  0.71000871
   0.30676008  0.20556562 -0.05973651
   0.03205516  0.15920507  0.88538109
   0.12899829  0.56089320  0.08954501
   0.40156516  0.66966201  0.26529185
   0.09468292  0.81448312  0.04423293
   0.39318255  0.92696956  0.32968522
   0.42329282  0.88934886  0.14961713
   0.19404181  0.83982570  0.23016769
   0.33627025  0.67048496  0.45104377
   0.07212138  0.62142173  0.40215446
   0.16055392  0.57884329  0.57563234
   0.35756862  0.72625219  0.77234873
   0.09794313  0.83492960  0.51164529
   0.32319675  0.99812055  0.81634107
   0.44546008  0.92531376  0.64721723
   0.17936707  0.88454787  0.68694374
   0.27956685  0.66535126 -0.03145563
   0.02146708  0.62984270  0.91261260
   0.58259295  0.07853047  0.09253180
   0.81588513  0.21581324  0.28738535
   0.59387911  0.31787545  0.02469707
   0.88091194  0.45156139  0.35567010
   0.03655449  0.37039505  0.21145928
   0.76815933  0.41513594  0.16617214
   0.79076393  0.17598834  0.45873624
   0.53302042  0.12703529  0.41483816
   0.62873820  0.08758310  0.58727239
   0.80959062  0.20035498  0.79044501
   0.59931015  0.33080085  0.52488814
   0.86226242  0.44694317  0.85328360
   0.96387947  0.41732400  0.60083357
   0.72282611  0.41255346  0.69170274
   0.79574585  0.12147205  0.98160574
   0.54556012  0.09543313  0.91276029
   0.60641822  0.56211926  0.08035707
   0.87357862  0.71680015  0.28774071
   0.62091238  0.82246240  0.03031797
   0.85484387  0.96277624  0.34759211
   0.92547766  0.89840524  0.17278815
   0.67330501  0.89294066  0.21769835
   0.82341073  0.64882380  0.47230415
   0.58347938  0.56153298  0.38961620
   0.62255535  0.59275657  0.57862704
   0.84275401  0.68856412  0.76431248
   0.58835116  0.80734368  0.42754580
   0.87166680  0.93894860  0.85025372
   0.91414630  0.88812885  0.65989807
   0.67363757  0.90678035  0.74389894
   0.78892431  0.67273277  0.95532746
   0.52545687  0.65160827  0.90343328
   0.69064153  0.85067447  0.56233803
   0.64875362  0.87441851  0.41143732
   0.89998233  0.21680580  0.12003130
   0.79635167  0.40774697  0.35635009
   0.28673468  0.12156299  0.65749267
   0.27671398  0.73950014  0.73901939
   0.01867506  1.11871556  0.13945323
   0.16514587  1.01706839  0.00434536
   0.62844879  0.37936514  0.84090396
   0.91471964  0.34127155  0.63317663
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901979    0.180628   -0.165285
    -0.000000    9.813497   -0.055635
    -0.000000    0.000000   13.899004
   Si   O    H 
    32    64    10
Direct configuration=   606
   0.15696605  0.16261331 -0.02594790
   0.39265434  0.07625095  0.37067961
   0.13977724  0.40277739  0.12009787
   0.38376608  0.32619415  0.24795375
   0.14952488  0.16339331  0.49166323
   0.39988627  0.12630942  0.86224136
   0.12612506  0.42120008  0.60450409
   0.34710088  0.38549671  0.74710758
   0.12590196  0.66704408  0.00155743
   0.41543929  0.58414402  0.36429236
   0.09035085  0.89689660  0.14643485
   0.35722064  0.82436363  0.24116636
   0.16471666  0.67827506  0.48809957
   0.37561160  0.64299511  0.86337694
   0.06241474  0.92704304  0.60907298
   0.31582157  0.98363312  0.69861778
   0.63716404  0.16214999  0.99708158
   0.88320432  0.12511237  0.37384216
   0.61956177  0.40913769  0.12477817
   0.87983660  0.31152619  0.20173496
   0.63534973  0.18051780  0.48892565
   0.87518270  0.10237671  0.87658384
   0.60386733  0.44405482  0.61571042
   0.75000425  0.36122429  0.80029133
   0.63033405  0.67029378 -0.01069054
   0.91233845  0.60968238  0.38002542
   0.57208624  0.92001789  0.11700432
   0.82908674  0.86828009  0.25688754
   0.65890779  0.66672363  0.47121599
   0.87897998  0.61422804  0.86839928
   0.60934420  0.92760397  0.63263001
   0.82674286  0.85649996  0.75440063
   0.10096669  0.06314022  0.14866705
   0.33984149  0.16760262  0.27185779
   0.11069760  0.29766646  0.03703898
   0.36640977  0.42748315  0.34676993
   0.54275889  0.34110713  0.21075849
   0.28615737  0.39481182  0.16515809
   0.29697396  0.09534669  0.45780430
   0.03975183  0.15710554  0.40577228
   0.07134347  0.08473235  0.58008139
   0.41657782  0.23436590  0.77014972
   0.18766841  0.31338353  0.52685348
   0.34294298  0.47623982  0.84826851
   0.45583975  0.43169920  0.66737165
   0.18640564  0.37817899  0.71007261
   0.30591521  0.20662078 -0.06012643
   0.03287492  0.16098431  0.88620333
   0.12896360  0.56114781  0.09016950
   0.40039483  0.66831478  0.26404500
   0.09599027  0.81578353  0.04493095
   0.39449826  0.92842311  0.32905714
   0.42453146  0.88958492  0.14902234
   0.19343955  0.83946244  0.23001930
   0.33724767  0.67083778  0.44966280
   0.07065753  0.62205557  0.40243442
   0.15918540  0.57872905  0.57498230
   0.35613887  0.72750028  0.77243052
   0.09921656  0.83543597  0.51171734
   0.32404227  0.99944796  0.81642544
   0.44400473  0.92314104  0.64731430
   0.18103171  0.88398720  0.68754749
   0.27936040  0.66463531 -0.03176609
   0.02214226  0.63011938  0.91336966
   0.58354756  0.07811072  0.09306853
   0.81571810  0.21610155  0.28563122
   0.59283147  0.31752015  0.02604454
   0.88106105  0.45174190  0.35529347
   0.03567533  0.37136682  0.21187194
   0.77004201  0.41405377  0.16472818
   0.79054632  0.17564245  0.45843318
   0.53155911  0.12683253  0.41378403
   0.62815514  0.08666096  0.58792904
   0.80878840  0.20022994  0.79041190
   0.59778443  0.33033778  0.52506164
   0.86074171  0.44671211  0.85419330
   0.96170928  0.41629313  0.60044671
   0.72208647  0.41321516  0.69131240
   0.79643096  0.12361769  0.98121690
   0.54586221  0.09565852  0.91338015
   0.60555165  0.56259434  0.08039240
   0.87488654  0.71548548  0.28831712
   0.62090896  0.82259592  0.03052356
   0.85398567  0.96374856  0.34774665
   0.92495014  0.89762339  0.17157070
   0.67387428  0.89224939  0.21733139
   0.82199002  0.65085697  0.47390685
   0.58355054  0.56044199  0.38934936
   0.62472022  0.59324331  0.57703966
   0.84381095  0.68989929  0.76479625
   0.58874966  0.80823812  0.42833940
   0.87217545  0.94063353  0.85128137
   0.91265540  0.88803596  0.65879339
   0.67259616  0.90568466  0.74330067
   0.78793418  0.67453175  0.95517266
   0.52534416  0.65179812  0.90427437
   0.69592969  0.84710555  0.56738099
   0.66171940  0.87970432  0.40425031
   0.90174289  0.21227675  0.12329516
   0.79266504  0.41146089  0.35827456
   0.28688628  0.12568448  0.65735668
   0.27191804  0.73683877  0.73573474
   0.02250795  1.11735195  0.14067779
   0.16460972  1.02055219  0.00499581
   0.62449746  0.38062414  0.84676852
   0.91813252  0.33844367  0.62990776
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902332    0.181540   -0.167014
    -0.000000    9.813447   -0.052628
    -0.000000    0.000000   13.897921
   Si   O    H 
    32    64    10
Direct configuration=   607
   0.15605691  0.16367260 -0.02562097
   0.39049780  0.07637426  0.37168832
   0.14006049  0.40299336  0.12089168
   0.38360349  0.32551169  0.24863558
   0.15086577  0.16267635  0.49140507
   0.39949244  0.12528067  0.86239818
   0.12650245  0.42133899  0.60456563
   0.34608594  0.38696627  0.74743942
   0.12563810  0.66510017  0.00189064
   0.41553159  0.58369069  0.36405380
   0.08946653  0.89586659  0.14598626
   0.35764872  0.82386601  0.24158626
   0.16441502  0.67926533  0.48807038
   0.37397023  0.64057502  0.86382402
   0.06396595  0.92659191  0.60940258
   0.31637262  0.98293388  0.69934945
   0.63718377  0.16184667  0.99803769
   0.88246449  0.12645439  0.37357154
   0.62037401  0.40824492  0.12412593
   0.88068041  0.31307993  0.20071070
   0.63541205  0.18216459  0.48879851
   0.87499482  0.10168620  0.87614434
   0.60403847  0.44260685  0.61491510
   0.74916460  0.36273539  0.79990055
   0.63073291  0.67101659 -0.01009564
   0.91385698  0.60861573  0.37898707
   0.57178379  0.92196747  0.11741202
   0.82834285  0.86849683  0.25701043
   0.66083474  0.66673509  0.47086725
   0.87915837  0.61408816  0.86854828
   0.60853134  0.92782209  0.63301746
   0.82771704  0.85726879  0.75401098
   0.10191671  0.06301285  0.14938160
   0.33959572  0.16847696  0.27284805
   0.11098602  0.29925317  0.03723032
   0.36543676  0.42738215  0.34716272
   0.54338810  0.34224399  0.21079806
   0.28611494  0.39378509  0.16450106
   0.29648297  0.09726967  0.45806989
   0.04084086  0.15686211  0.40449866
   0.07266983  0.08408934  0.57849255
   0.41802538  0.23339724  0.77048169
   0.18718846  0.31468116  0.52558745
   0.34487834  0.47610254  0.84740405
   0.45613395  0.43277165  0.66716711
   0.18660411  0.37831167  0.71001240
   0.30493353  0.20716414 -0.05998720
   0.03366292  0.16276832  0.88757935
   0.12861339  0.56005234  0.09080089
   0.39875463  0.66695422  0.26281931
   0.09694275  0.81788222  0.04571363
   0.39591852  0.92879569  0.32904927
   0.42467459  0.88868323  0.14863123
   0.19213106  0.83942243  0.22934707
   0.33899208  0.67125767  0.44823735
   0.06996083  0.62241422  0.40255108
   0.15788600  0.57846315  0.57447225
   0.35479763  0.72882971  0.77230735
   0.10028197  0.83514865  0.51170886
   0.32485356  1.00051314  0.81685026
   0.44324834  0.92146132  0.64707760
   0.18238983  0.88389809  0.68802972
   0.28065667  0.66309732 -0.03281606
   0.02388025  0.63120560  0.91352496
   0.58435689  0.07799072  0.09319692
   0.81708912  0.21632548  0.28376559
   0.59207222  0.31713707  0.02670551
   0.88167270  0.45201435  0.35463489
   0.03470704  0.37271829  0.21235556
   0.77133635  0.41355332  0.16339082
   0.79056079  0.17651279  0.45813393
   0.53087402  0.12658478  0.41300167
   0.62737284  0.08597110  0.58846583
   0.80769343  0.19980217  0.79003732
   0.59634646  0.33060216  0.52553778
   0.85981203  0.44679168  0.85482953
   0.95976634  0.41520767  0.60045720
   0.72189982  0.41394037  0.69085335
   0.79735240  0.12526498  0.98088310
   0.54639659  0.09534626  0.91326541
   0.60492534  0.56251182  0.07992747
   0.87614850  0.71385729  0.28911670
   0.62050000  0.82266110  0.03065055
   0.85339783  0.96494128  0.34797560
   0.92537059  0.89737308  0.17001643
   0.67495706  0.89222037  0.21722298
   0.82070179  0.65294319  0.47450843
   0.58342127  0.55852908  0.38940174
   0.62587656  0.59443843  0.57492647
   0.84489848  0.69077081  0.76561855
   0.58974906  0.80917483  0.42839299
   0.87291379  0.94194468  0.85276337
   0.91133042  0.88836366  0.65767900
   0.67156916  0.90453228  0.74274137
   0.78734288  0.67602063  0.95458163
   0.52576295  0.65238274  0.90471118
   0.69880985  0.83973310  0.57422296
   0.65960422  0.87363803  0.40100865
   0.90281830  0.21012082  0.12687772
   0.78816488  0.41590327  0.35834670
   0.28941058  0.12324297  0.65878855
   0.26682904  0.73424736  0.73189933
   0.02173857  1.11986358  0.14117917
   0.16088200  1.02510794  0.00535310
   0.61786362  0.38304725  0.85610120
   0.92314436  0.33805885  0.62583655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902350    0.182776   -0.168248
    -0.000000    9.813427   -0.049964
    -0.000000    0.000000   13.896966
   Si   O    H 
    32    64    10
Direct configuration=   608
   0.15502477  0.16499851 -0.02504135
   0.38838731  0.07621807  0.37222019
   0.13993884  0.40313107  0.12183173
   0.38352576  0.32535435  0.24942200
   0.15243988  0.16134707  0.49085275
   0.39913814  0.12475439  0.86271152
   0.12633714  0.42208128  0.60494258
   0.34507479  0.38773468  0.74744082
   0.12639821  0.66361411  0.00189714
   0.41582999  0.58329400  0.36406004
   0.08793845  0.89506876  0.14547739
   0.35791981  0.82304662  0.24219107
   0.16433488  0.67997840  0.48793589
   0.37210247  0.63879630  0.86496639
   0.06488291  0.92550910  0.61012926
   0.31627279  0.98263621  0.69984712
   0.63606288  0.16161088  0.99899214
   0.88276169  0.12803862  0.37289382
   0.62086493  0.40718452  0.12341197
   0.88167200  0.31418789  0.19983188
   0.63560777  0.18378178  0.48966866
   0.87474237  0.10099923  0.87585352
   0.60377571  0.44172866  0.61421091
   0.74810657  0.36377794  0.79955929
   0.63113705  0.67146390 -0.00937775
   0.91514853  0.60752212  0.37803771
   0.57208064  0.92369242  0.11837392
   0.82789040  0.86844334  0.25696655
   0.66223011  0.66685715  0.47049868
   0.87877971  0.61309003  0.86924059
   0.60722398  0.92785436  0.63355298
   0.82853191  0.85772205  0.75350569
   0.10344172  0.06328124  0.15049357
   0.33965765  0.16983473  0.27427093
   0.11138793  0.30023057  0.03763217
   0.36481865  0.42756181  0.34747289
   0.54315754  0.34240007  0.21127949
   0.28689297  0.39264179  0.16416869
   0.29470505  0.09936531  0.45883845
   0.04218929  0.15666357  0.40359678
   0.07418275  0.08299828  0.57737952
   0.42024785  0.23265092  0.77134763
   0.18666531  0.31548725  0.52433670
   0.34631051  0.47564528  0.84635603
   0.45593276  0.43359816  0.66671435
   0.18669850  0.37897155  0.71029156
   0.30469283  0.20762587 -0.06028680
   0.03433496  0.16398827  0.88843604
   0.12809841  0.55963761  0.09107784
   0.39693430  0.66532347  0.26141253
   0.09737598  0.81948557  0.04624336
   0.39736733  0.92893234  0.32943701
   0.42497100  0.88765789  0.14853912
   0.19081428  0.83925793  0.22861247
   0.33984755  0.67213022  0.44720906
   0.06940725  0.62234607  0.40226867
   0.15583596  0.57762224  0.57420568
   0.35208417  0.73064084  0.77164789
   0.10144757  0.83480819  0.51202126
   0.32617831  1.00112038  0.81719894
   0.44343188  0.92014912  0.64620151
   0.18340156  0.88318314  0.68850002
   0.28267612  0.66110800 -0.03422400
   0.02614772  0.63250007  0.91370964
   0.58578479  0.07802765  0.09321712
   0.81911372  0.21707453  0.28170212
   0.59128365  0.31649088  0.02715095
   0.88153018  0.45114589  0.35416946
   0.03383680  0.37387743  0.21264254
   0.77246969  0.41333997  0.16230738
   0.79081236  0.17789287  0.45823407
   0.52977513  0.12589614  0.41198462
   0.62651449  0.08500349  0.58890331
   0.80618979  0.19898107  0.79011836
   0.59435428  0.33223202  0.52604644
   0.85999824  0.44633263  0.85561746
   0.95847791  0.41483909  0.60022346
   0.72202206  0.41461938  0.69043744
   0.79789367  0.12688923  0.98037005
   0.54640936  0.09545005  0.91316451
   0.60401115  0.56235554  0.07919773
   0.87764783  0.71292732  0.29027083
   0.61975619  0.82317760  0.03110725
   0.85299343  0.96642406  0.34914209
   0.92599757  0.89732200  0.16861794
   0.67537695  0.89245391  0.21625015
   0.82115818  0.65416089  0.47449560
   0.58350385  0.55711134  0.38966203
   0.62637394  0.59448943  0.57327711
   0.84593315  0.69107720  0.76672918
   0.59078868  0.81042258  0.42875427
   0.87425987  0.94273627  0.85364986
   0.91108799  0.88869709  0.65661069
   0.67052980  0.90308796  0.74229023
   0.78664121  0.67688505  0.95405776
   0.52655642  0.65234781  0.90472789
   0.70102715  0.82917862  0.57804009
   0.64578208  0.86465082  0.40028975
   0.90095399  0.20603318  0.12653038
   0.78528452  0.42231101  0.35955122
   0.29599629  0.11505947  0.65882726
   0.26702325  0.73582580  0.73274688
   0.01655633  1.11905068  0.14196098
   0.16128250  1.02916749  0.00391864
   0.61381430  0.38340973  0.86607982
   0.92203531  0.32774022  0.62602534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902208    0.184437   -0.169112
    -0.000000    9.813403   -0.047381
    -0.000000    0.000000   13.895727
   Si   O    H 
    32    64    10
Direct configuration=   609
   0.15396702  0.16611974 -0.02419195
   0.38637499  0.07612302  0.37251620
   0.13982208  0.40367095  0.12265041
   0.38317573  0.32549510  0.24999006
   0.15410012  0.16066358  0.49000187
   0.39833585  0.12495861  0.86312171
   0.12644111  0.42275482  0.60493643
   0.34484345  0.38757896  0.74731494
   0.12726567  0.66275584  0.00252329
   0.41641472  0.58256947  0.36423578
   0.08598658  0.89407182  0.14467284
   0.35757823  0.82253337  0.24230747
   0.16439865  0.68041296  0.48768989
   0.37091376  0.63768343  0.86628203
   0.06534878  0.92458009  0.61107618
   0.31516186  0.98225386  0.69996871
   0.63512975  0.16183266  1.00026027
   0.88325694  0.12956178  0.37153452
   0.62101987  0.40680653  0.12252898
   0.88321577  0.31474349  0.19926296
   0.63591289  0.18462061  0.49083835
   0.87489277  0.10109475  0.87554860
   0.60357014  0.44121564  0.61339928
   0.74692774  0.36396298  0.79950033
   0.63195996  0.67184839 -0.00900053
   0.91549530  0.60642303  0.37714897
   0.57266200  0.92477978  0.11945778
   0.82725639  0.86832966  0.25664906
   0.66338159  0.66725173  0.47050187
   0.87848481  0.61202207  0.86984836
   0.60624279  0.92769733  0.63389161
   0.82978985  0.85771712  0.75333097
   0.10508345  0.06350840  0.15167685
   0.33927262  0.17093788  0.27614272
   0.11168984  0.30032458  0.03774273
   0.36469057  0.42704068  0.34742110
   0.54183930  0.34319945  0.21126393
   0.28803763  0.39164936  0.16424400
   0.29246082  0.10093898  0.46016875
   0.04336577  0.15639582  0.40268956
   0.07489979  0.08205168  0.57612821
   0.42208108  0.23243312  0.77230806
   0.18585392  0.31691114  0.52294482
   0.34724819  0.47498673  0.84553121
   0.45522103  0.43448375  0.66631004
   0.18700680  0.37923487  0.71071452
   0.30334445  0.20801910 -0.06046212
   0.03386360  0.16494615  0.88934875
   0.12677832  0.55913238  0.09167202
   0.39621809  0.66316000  0.26042298
   0.09815354  0.82074945  0.04636624
   0.39878232  0.92848519  0.32995742
   0.42494073  0.88745600  0.14849197
   0.18909408  0.83915860  0.22766231
   0.33958157  0.67315186  0.44677206
   0.06896934  0.62230222  0.40215870
   0.15422514  0.57621774  0.57450657
   0.34903106  0.73190284  0.77108938
   0.10260005  0.83481798  0.51203064
   0.32822379  1.00085362  0.81730350
   0.44426002  0.91895341  0.64550199
   0.18404346  0.88279896  0.68868963
   0.28404139  0.65876616 -0.03510635
   0.02779026  0.63330178  0.91356437
   0.58671184  0.07748965  0.09304750
   0.82120259  0.21812428  0.28004338
   0.58972793  0.31546965  0.02713661
   0.88031903  0.45095608  0.35325411
   0.03245938  0.37498928  0.21266481
   0.77400280  0.41356659  0.16131429
   0.79125738  0.17916100  0.45864525
   0.52863406  0.12553723  0.41151547
   0.62585263  0.08360159  0.58914666
   0.80547509  0.19863617  0.79039011
   0.59214772  0.33414004  0.52559310
   0.86096755  0.44577919  0.85654620
   0.95741247  0.41535492  0.60003944
   0.72177380  0.41516718  0.69006023
   0.79871101  0.12765999  0.98005998
   0.54703616  0.09575271  0.91315601
   0.60234216  0.56241146  0.07828727
   0.87820829  0.71246301  0.29110943
   0.61841336  0.82449338  0.03149431
   0.85315789  0.96800797  0.35068000
   0.92659935  0.89770914  0.16729088
   0.67565741  0.89304338  0.21550047
   0.82165167  0.65480925  0.47401466
   0.58333099  0.55499513  0.38999275
   0.62617835  0.59481396  0.57158593
   0.84865777  0.69142802  0.76808144
   0.59069996  0.81060062  0.43038640
   0.87511268  0.94255753  0.85413111
   0.91152395  0.88904560  0.65561481
   0.66969072  0.90140941  0.74221837
   0.78593606  0.67854892  0.95342901
   0.52760245  0.65201389  0.90420557
   0.69760114  0.82114253  0.58285443
   0.64843240  0.87337216  0.39199321
   0.89899861  0.20143299  0.12638172
   0.78980211  0.43180045  0.36091080
   0.30229689  0.10814906  0.65700335
   0.26485110  0.73770915  0.73519654
   0.01962837  1.11475058  0.14414090
   0.16304335  1.02642186  0.00436513
   0.61752002  0.38287111  0.87172394
   0.92455785  0.32535920  0.62426778
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902197    0.186127   -0.169916
    -0.000000    9.813388   -0.044801
    -0.000000    0.000000   13.894569
   Si   O    H 
    32    64    10
Direct configuration=   610
   0.15253720  0.16670441 -0.02339107
   0.38449156  0.07679160  0.37273885
   0.13947169  0.40391037  0.12381198
   0.38300360  0.32565959  0.25063121
   0.15552513  0.16031252  0.48940370
   0.39806970  0.12536385  0.86374464
   0.12659108  0.42373027  0.60475888
   0.34493736  0.38686488  0.74702079
   0.12890417  0.66188206  0.00312271
   0.41748996  0.58169861  0.36472215
   0.08413144  0.89377001  0.14396895
   0.35757536  0.82228538  0.24251970
   0.16444380  0.68072078  0.48709510
   0.37022366  0.63628410  0.86713771
   0.06593725  0.92327164  0.61165126
   0.31340744  0.98238116  0.70053925
   0.63461622  0.16192578  1.00179931
   0.88396304  0.13057819  0.37002237
   0.62073388  0.40633776  0.12144659
   0.88443558  0.31576796  0.19859069
   0.63605761  0.18522811  0.49224436
   0.87464738  0.10175208  0.87545565
   0.60297629  0.44034133  0.61243655
   0.74523577  0.36371508  0.79923398
   0.63291734  0.67251219 -0.00853080
   0.91573777  0.60505463  0.37638514
   0.57372109  0.92517207  0.12048572
   0.82712577  0.86823070  0.25650049
   0.66376715  0.66708983  0.47040242
   0.87836706  0.61068970  0.87072434
   0.60607551  0.92731817  0.63392862
   0.83074489  0.85796983  0.75326969
   0.10643346  0.06289562  0.15272613
   0.33884593  0.17224997  0.27780725
   0.11210641  0.30014468  0.03782470
   0.36373950  0.42685690  0.34737077
   0.54122055  0.34420946  0.21156256
   0.28931607  0.39074685  0.16399816
   0.29073203  0.10239406  0.46078300
   0.04423622  0.15568138  0.40102833
   0.07644284  0.08098049  0.57520923
   0.42280488  0.23282195  0.77271738
   0.18460984  0.31815437  0.52167616
   0.34732494  0.47502013  0.84422268
   0.45490271  0.43545280  0.66661620
   0.18803250  0.37957653  0.71133576
   0.30218311  0.20787306 -0.06101667
   0.03254214  0.16566495  0.89054951
   0.12448785  0.55859748  0.09151247
   0.39586676  0.66145145  0.25964006
   0.09964044  0.82144354  0.04600512
   0.40014710  0.92758715  0.33002565
   0.42461746  0.88678046  0.14867342
   0.18771665  0.83890770  0.22652340
   0.33906058  0.67388531  0.44700941
   0.06965781  0.62202059  0.40191381
   0.15271405  0.57490310  0.57463227
   0.34636687  0.73273727  0.77075860
   0.10378678  0.83457425  0.51160351
   0.32966107  0.99885005  0.81742069
   0.44489631  0.91770187  0.64528828
   0.18376976  0.88223879  0.68898231
   0.28433853  0.65630300 -0.03601387
   0.02942219  0.63420001  0.91287308
   0.58867184  0.07754425  0.09275819
   0.82295867  0.21946504  0.27904268
   0.58849896  0.31489404  0.02625061
   0.88004365  0.45133376  0.35189710
   0.03135533  0.37617659  0.21290164
   0.77440991  0.41443122  0.16036057
   0.79257002  0.18076380  0.45922475
   0.52744601  0.12532248  0.41147808
   0.62521370  0.08280801  0.58959517
   0.80511236  0.19889366  0.79064645
   0.58957779  0.33620486  0.52528925
   0.86141215  0.44552411  0.85732944
   0.95588691  0.41536124  0.60039003
   0.72155719  0.41537499  0.68997617
   0.79939543  0.12798135  0.97933938
   0.54767071  0.09548695  0.91273661
   0.60116138  0.56301500  0.07789438
   0.87780742  0.71218092  0.29181700
   0.61638750  0.82565107  0.03187974
   0.85373179  0.96924613  0.35218036
   0.92695425  0.89818531  0.16698092
   0.67638888  0.89406995  0.21450186
   0.82299543  0.65508087  0.47324873
   0.58285650  0.55364899  0.39103627
   0.62564078  0.59564295  0.57007741
   0.85162807  0.69231597  0.76938190
   0.59069321  0.81048328  0.43133257
   0.87570436  0.94121940  0.85425296
   0.91175822  0.89005274  0.65453614
   0.66901957  0.89951370  0.74228683
   0.78458139  0.67955630  0.95277426
   0.52780663  0.65176524  0.90382053
   0.69205251  0.81432597  0.58647397
   0.64962666  0.87461334  0.38635977
   0.89848921  0.20123015  0.12600319
   0.78235118  0.43692015  0.36518768
   0.31088612  0.10277400  0.65301742
   0.25890096  0.73871941  0.73871857
   0.02111660  1.11428473  0.14393761
   0.16494553  1.02319513  0.00416820
   0.63207540  0.38106518  0.87130981
   0.92680017  0.33015996  0.62186222
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902422    0.186719   -0.170780
    -0.000000    9.813074   -0.042051
    -0.000000    0.000000   13.893211
   Si   O    H 
    32    64    10
Direct configuration=   611
   0.15101354  0.16722533 -0.02271140
   0.38290042  0.07755786  0.37249073
   0.13846757  0.40418574  0.12500185
   0.38273126  0.32689719  0.25101655
   0.15678068  0.15985369  0.48942454
   0.39734808  0.12606821  0.86399219
   0.12719505  0.42464315  0.60489405
   0.34517939  0.38651412  0.74651334
   0.13058210  0.66146967  0.00380205
   0.41852293  0.58068219  0.36507773
   0.08270660  0.89373234  0.14323816
   0.35725746  0.82161649  0.24253251
   0.16457955  0.68094228  0.48619377
   0.37016678  0.63552198  0.86800775
   0.06685808  0.92222521  0.61199025
   0.31221973  0.98136138  0.70102691
   0.63417770  0.16233014  1.00322630
   0.88486502  0.13120856  0.36830671
   0.62086731  0.40560087  0.12066754
   0.88534118  0.31691172  0.19764262
   0.63605924  0.18577315  0.49395457
   0.87482544  0.10265882  0.87534555
   0.60243734  0.43938869  0.61126172
   0.74324959  0.36405144  0.79910400
   0.63345305  0.67386514 -0.00780467
   0.91560668  0.60337985  0.37596291
   0.57528499  0.92499759  0.12116980
   0.82743971  0.86773656  0.25623754
   0.66351913  0.66663477  0.47021937
   0.87768003  0.60958584  0.87134681
   0.60553262  0.92706144  0.63396872
   0.83178440  0.85838547  0.75334109
   0.10724147  0.06265113  0.15407181
   0.33861773  0.17370716  0.27875402
   0.11294764  0.30110015  0.03787999
   0.36275680  0.42631653  0.34718754
   0.54086846  0.34540127  0.21175324
   0.29135796  0.38888785  0.16408099
   0.28966155  0.10286096  0.46164409
   0.04480705  0.15502358  0.39940541
   0.07828510  0.07951427  0.57374592
   0.42334773  0.23313200  0.77280787
   0.18381678  0.31985195  0.52059830
   0.34641561  0.47515837  0.84329897
   0.45464689  0.43660231  0.66688686
   0.18962441  0.38052845  0.71167916
   0.30135105  0.20744801 -0.06168934
   0.03060817  0.16555001  0.89179892
   0.12183627  0.55804498  0.09147028
   0.39605519  0.66027863  0.25909677
   0.10105916  0.82178118  0.04483023
   0.40100098  0.92644457  0.33055553
   0.42512823  0.88638230  0.14874452
   0.18738002  0.83721973  0.22519639
   0.33782129  0.67379946  0.44758144
   0.07106368  0.62092072  0.40202075
   0.15160203  0.57487599  0.57484591
   0.34338472  0.73287633  0.77078773
   0.10567093  0.83392601  0.51127842
   0.33110479  0.99677369  0.81763899
   0.44530063  0.91717265  0.64605468
   0.18246072  0.88189192  0.68949157
   0.28441953  0.65416416 -0.03652758
   0.03134962  0.63553925  0.91250739
   0.59042534  0.07808759  0.09267035
   0.82396210  0.22070838  0.27869922
   0.58697580  0.31524470  0.02535841
   0.87980793  0.45133002  0.35074474
   0.03156652  0.37788358  0.21291122
   0.77485946  0.41603199  0.15937271
   0.79403770  0.18217989  0.46012199
   0.52726761  0.12456172  0.41114767
   0.62493659  0.08265842  0.58949829
   0.80411669  0.19940931  0.79074812
   0.58631206  0.33798970  0.52488445
   0.86195256  0.44482660  0.85843398
   0.95518112  0.41558745  0.60099793
   0.72146087  0.41611382  0.68999940
   0.79891940  0.12843117  0.97844599
   0.54789066  0.09499258  0.91243065
   0.60096360  0.56338516  0.07700229
   0.87657680  0.71236388  0.29146398
   0.61407063  0.82760130  0.03163937
   0.85404289  0.97052528  0.35303073
   0.92643705  0.89889097  0.16697168
   0.67717335  0.89505733  0.21362562
   0.82500804  0.65499690  0.47223238
   0.58219135  0.55224837  0.39218071
   0.62486403  0.59641298  0.56907523
   0.85429666  0.69344867  0.77096760
   0.59205533  0.81153009  0.43151770
   0.87608789  0.93913688  0.85423724
   0.91199310  0.89081430  0.65321045
   0.66828077  0.89770147  0.74259925
   0.78271252  0.68038354  0.95232356
   0.52761605  0.65154930  0.90306743
   0.68267895  0.81148774  0.58823836
   0.64595005  0.86757597  0.38489245
   0.89831048  0.19929901  0.12759264
   0.77897362  0.44171836  0.36672789
   0.31768213  0.11011693  0.64646010
   0.25089633  0.74062656  0.74143578
   0.02289604  1.11590812  0.14463415
   0.16464068  1.02537235  0.00155709
   0.64634560  0.37490877  0.86898747
   0.92274086  0.33185106  0.62135129
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902977    0.187504   -0.171676
    -0.000000    9.812678   -0.039004
    -0.000000    0.000000   13.891367
   Si   O    H 
    32    64    10
Direct configuration=   612
   0.14910079  0.16734526 -0.02220092
   0.38170013  0.07794869  0.37213921
   0.13800060  0.40475104  0.12621860
   0.38291122  0.32829815  0.25123526
   0.15671412  0.15988541  0.48973938
   0.39670956  0.12786328  0.86399988
   0.12691336  0.42473906  0.60483776
   0.34566323  0.38577933  0.74610522
   0.13221515  0.66167672  0.00464509
   0.41963002  0.57990861  0.36501322
   0.08140994  0.89461642  0.14245878
   0.35594298  0.82078144  0.24257241
   0.16540849  0.68110884  0.48526705
   0.36965983  0.63518923  0.86833167
   0.06728915  0.92189970  0.61189333
   0.31189061  0.98090002  0.70173973
   0.63349956  0.16236644  1.00412802
   0.88553795  0.13192033  0.36680730
   0.62089432  0.40592645  0.12001644
   0.88579048  0.31707811  0.19676088
   0.63525432  0.18534601  0.49560890
   0.87569162  0.10414422  0.87527230
   0.60201402  0.43912757  0.61054114
   0.74137654  0.36425327  0.79882923
   0.63214619  0.67547183 -0.00728599
   0.91581947  0.60167435  0.37589678
   0.57675820  0.92439338  0.12189939
   0.82824860  0.86692996  0.25609057
   0.66283599  0.66598069  0.47036371
   0.87709044  0.60805004  0.87193462
   0.60519523  0.92673052  0.63419588
   0.83244801  0.85812013  0.75369751
   0.10792584  0.06239942  0.15495344
   0.33814737  0.17516904  0.27948088
   0.11366813  0.30146739  0.03752565
   0.36194977  0.42599784  0.34673231
   0.53991084  0.34716162  0.21206392
   0.29343097  0.38757938  0.16349457
   0.29004755  0.10220509  0.46195325
   0.04537271  0.15456262  0.39748491
   0.07901036  0.07800265  0.57227370
   0.42391760  0.23361480  0.77332817
   0.18259073  0.32133074  0.51920345
   0.34589074  0.47553716  0.84302219
   0.45475198  0.43819012  0.66709205
   0.19153661  0.38110400  0.71188105
   0.30089784  0.20758183 -0.06231319
   0.02862752  0.16398009  0.89314381
   0.11954633  0.55805908  0.09153316
   0.39545934  0.65881613  0.25899918
   0.10287015  0.82137353  0.04277344
   0.40093861  0.92528479  0.33080390
   0.42470818  0.88662994  0.14919927
   0.18734933  0.83605314  0.22443209
   0.33499247  0.67379063  0.44854441
   0.07248055  0.61980834  0.40176153
   0.15093199  0.57578082  0.57499673
   0.33941574  0.73295414  0.77138410
   0.10753197  0.83343455  0.51144352
   0.33156422  0.99498070  0.81804636
   0.44535332  0.91720256  0.64668327
   0.18202864  0.88122486  0.68958549
   0.28454426  0.65245016 -0.03640975
   0.03279386  0.63696173  0.91211088
   0.59198312  0.07860187  0.09294580
   0.82495736  0.22117470  0.27841177
   0.58530604  0.31606790  0.02471079
   0.87906105  0.45071478  0.34952783
   0.03156792  0.38027275  0.21258086
   0.77455497  0.41703798  0.15847064
   0.79556806  0.18352881  0.46120788
   0.52787671  0.12443284  0.41140718
   0.62504724  0.08305842  0.58921673
   0.80398854  0.20034073  0.79041099
   0.58316702  0.33860804  0.52407467
   0.86215543  0.44457832  0.85918021
   0.95524076  0.41671539  0.60200656
   0.72153296  0.41635434  0.68965842
   0.79763460  0.12890598  0.97788356
   0.54829665  0.09389524  0.91181787
   0.59977433  0.56310174  0.07596438
   0.87443533  0.71294291  0.29093195
   0.61130016  0.82899468  0.03092485
   0.85363262  0.97121937  0.35370025
   0.92635393  0.90005550  0.16673012
   0.67725581  0.89470467  0.21270357
   0.82772978  0.65532002  0.47127744
   0.58230812  0.55211428  0.39301869
   0.62381234  0.59661259  0.56887317
   0.85680271  0.69468322  0.77292491
   0.59328941  0.81130606  0.43156759
   0.87633002  0.93760136  0.85385127
   0.91272590  0.89241985  0.65271123
   0.66807662  0.89642148  0.74292833
   0.78176252  0.67996895  0.95202184
   0.52711455  0.65086242  0.90219539
   0.66958629  0.81358266  0.58966979
   0.64113458  0.85902465  0.38369641
   0.90176571  0.19808338  0.12858204
   0.78387285  0.44274861  0.36703276
   0.31833065  0.11752253  0.64356152
   0.24635231  0.74180838  0.74683317
   0.02455818  1.11688937  0.14564531
   0.16533980  1.02876616 -0.00116564
   0.65156552  0.36781253  0.86634150
   0.91435622  0.32277646  0.62179575
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903763    0.188035   -0.172894
    -0.000000    9.812289   -0.035917
    -0.000000    0.000000   13.889582
   Si   O    H 
    32    64    10
Direct configuration=   613
   0.14868060  0.16731065 -0.02202239
   0.38082059  0.07860069  0.37159794
   0.13777336  0.40504099  0.12741112
   0.38282334  0.33031960  0.25099688
   0.15587687  0.16029522  0.49013257
   0.39660462  0.12975742  0.86396879
   0.12656532  0.42429196  0.60495489
   0.34639145  0.38531206  0.74539698
   0.13373304  0.66162217  0.00518220
   0.42004431  0.57911934  0.36508528
   0.08020304  0.89517314  0.14165605
   0.35456817  0.81984299  0.24282456
   0.16692428  0.68103318  0.48442113
   0.36946744  0.63529698  0.86839352
   0.06700418  0.92114233  0.61157925
   0.31248618  0.98047204  0.70181309
   0.63360647  0.16149006  1.00467902
   0.88543517  0.13290546  0.36574933
   0.62140923  0.40662519  0.11933692
   0.88638320  0.31730153  0.19624234
   0.63430227  0.18499490  0.49707733
   0.87658366  0.10526446  0.87519530
   0.60104438  0.43849620  0.61000651
   0.73994163  0.36431205  0.79885393
   0.63054224  0.67691077 -0.00674612
   0.91586839  0.60005333  0.37613974
   0.57810904  0.92372405  0.12262780
   0.82906732  0.86617126  0.25575339
   0.66229704  0.66523350  0.47074747
   0.87623106  0.60676827  0.87269335
   0.60459238  0.92616716  0.63452876
   0.83297053  0.85851101  0.75443373
   0.10814914  0.06184033  0.15567667
   0.33824996  0.17607977  0.28016288
   0.11392100  0.30174977  0.03735232
   0.36092149  0.42562236  0.34636137
   0.53872187  0.34907638  0.21262294
   0.29398636  0.38598614  0.16276316
   0.29021836  0.10077341  0.46241551
   0.04571851  0.15445658  0.39582018
   0.07923074  0.07600226  0.57107039
   0.42493472  0.23416653  0.77383737
   0.18084615  0.32275843  0.51828004
   0.34571392  0.47600847  0.84234159
   0.45541733  0.43947507  0.66738548
   0.19342357  0.38136781  0.71130927
   0.30012592  0.20739821 -0.06227130
   0.02679853  0.16248498  0.89406792
   0.11748849  0.55850763  0.09197951
   0.39471327  0.65759876  0.25873489
   0.10543092  0.82067332  0.04107847
   0.40012960  0.92308435  0.33153693
   0.42428420  0.88643666  0.14918633
   0.18734984  0.83553286  0.22324802
   0.33134658  0.67357127  0.44955159
   0.07461166  0.61934137  0.40074067
   0.15086874  0.57676474  0.57468107
   0.33587853  0.73157541  0.77166173
   0.10961936  0.83319037  0.51156766
   0.33202641  0.99364753  0.81785690
   0.44520693  0.91765299  0.64770385
   0.18115185  0.88077050  0.69006403
   0.28427176  0.65040211 -0.03680423
   0.03435906  0.63846971  0.91206134
   0.59303477  0.07953794  0.09342519
   0.82583894  0.22133533  0.27843990
   0.58442628  0.31699256  0.02381852
   0.87840090  0.44997245  0.34869153
   0.03162115  0.38301486  0.21300390
   0.77348009  0.41781639  0.15779918
   0.79722580  0.18446870  0.46190167
   0.52911603  0.12326254  0.41163809
   0.62526686  0.08294817  0.58885575
   0.80357092  0.20082777  0.79012977
   0.58110802  0.33851026  0.52348932
   0.86202803  0.44447420  0.85981401
   0.95599657  0.41794768  0.60366236
   0.72111974  0.41667614  0.68936871
   0.79731330  0.12982940  0.97749603
   0.54968433  0.09310002  0.91138740
   0.59942595  0.56273296  0.07507794
   0.87298057  0.71331639  0.29045339
   0.60933012  0.83066574  0.03053983
   0.85295661  0.97116602  0.35390028
   0.92533400  0.90114589  0.16647190
   0.67761229  0.89461862  0.21230147
   0.82999780  0.65578622  0.46978472
   0.58267763  0.55260110  0.39438535
   0.62250804  0.59686978  0.56924878
   0.85935939  0.69537487  0.77509620
   0.59448797  0.81052538  0.43173217
   0.87716796  0.93669052  0.85313949
   0.91349146  0.89368348  0.65212649
   0.66815961  0.89515358  0.74380202
   0.78183163  0.67978090  0.95232167
   0.52764266  0.65109935  0.90092360
   0.66103928  0.81747853  0.58835763
   0.63867195  0.85540023  0.37850760
   0.90672885  0.19776043  0.12767145
   0.78687717  0.44153044  0.36719907
   0.31341038  0.11846671  0.64394927
   0.24359410  0.74048060  0.75176193
   0.02701904  1.11796630  0.14556670
   0.16426891  1.02985691 -0.00408715
   0.64457666  0.36552961  0.86942987
   0.91077623  0.32514686  0.62049736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904739    0.188709   -0.174495
    -0.000000    9.811230   -0.033289
    -0.000000    0.000000   13.887235
   Si   O    H 
    32    64    10
Direct configuration=   614
   0.14871710  0.16736051 -0.02152976
   0.38033340  0.07953589  0.37061930
   0.13812492  0.40477102  0.12863134
   0.38292884  0.33252374  0.25060865
   0.15345767  0.16111940  0.49056041
   0.39713725  0.13157557  0.86394180
   0.12593658  0.42354037  0.60472380
   0.34808512  0.38447816  0.74510325
   0.13577580  0.66203938  0.00582866
   0.41973682  0.57892537  0.36544484
   0.07996158  0.89550488  0.14152466
   0.35317932  0.81832464  0.24312827
   0.16847718  0.68043345  0.48343356
   0.36931785  0.63579117  0.86790754
   0.06635120  0.92060572  0.61146793
   0.31294016  0.98021713  0.70222157
   0.63461017  0.16106579  1.00494664
   0.88515114  0.13397325  0.36497462
   0.62169713  0.40792803  0.11844641
   0.88706392  0.31664769  0.19555969
   0.63307939  0.18427268  0.49821551
   0.87726340  0.10613002  0.87513325
   0.59948406  0.43815589  0.60980370
   0.73946855  0.36396490  0.79875952
   0.62849547  0.67933723 -0.00663235
   0.91605919  0.59912607  0.37629989
   0.57920134  0.92337679  0.12342610
   0.82975884  0.86543981  0.25574979
   0.66199302  0.66400825  0.47144789
   0.87602519  0.60654324  0.87402715
   0.60423508  0.92657488  0.63471706
   0.83354935  0.85853373  0.75507586
   0.10967812  0.06194093  0.15576987
   0.33810500  0.17609606  0.28056041
   0.11375890  0.30211013  0.03717362
   0.36018412  0.42604599  0.34623068
   0.53744988  0.35046934  0.21308077
   0.29360646  0.38375303  0.16203416
   0.29022523  0.09962671  0.46251929
   0.04555089  0.15431727  0.39415804
   0.07935977  0.07468589  0.56993449
   0.42612256  0.23432132  0.77451681
   0.17953017  0.32421144  0.51746422
   0.34577948  0.47552754  0.84173167
   0.45655438  0.44105240  0.66797047
   0.19504307  0.38115252  0.71099315
   0.29914617  0.20731285 -0.06215887
   0.02490242  0.16056086  0.89563610
   0.11528677  0.55913891  0.09280800
   0.39450976  0.65649933  0.25857094
   0.10770951  0.81945105  0.04021917
   0.40004573  0.92124988  0.33197492
   0.42394644  0.88561307  0.14900878
   0.18766132  0.83536264  0.22256822
   0.32752242  0.67329121  0.45047637
   0.07594829  0.61874571  0.39933789
   0.15113325  0.57815784  0.57436031
   0.33270142  0.72939917  0.77252700
   0.11190704  0.83263665  0.51185414
   0.33193639  0.99273252  0.81769032
   0.44515567  0.91768569  0.64889816
   0.18039372  0.88041298  0.69066010
   0.28375561  0.64833658 -0.03693335
   0.03649200  0.64010553  0.91241369
   0.59387145  0.07995087  0.09475222
   0.82610176  0.22142874  0.27812164
   0.58353200  0.31735024  0.02305044
   0.87782545  0.44924605  0.34752745
   0.03208324  0.38530964  0.21379794
   0.77209215  0.41874487  0.15740790
   0.79828184  0.18494879  0.46334555
   0.53120727  0.12200940  0.41159153
   0.62557853  0.08225470  0.58892519
   0.80272618  0.20117555  0.79023918
   0.57950589  0.33781860  0.52242825
   0.86168609  0.44551443  0.86046540
   0.95760758  0.41857123  0.60564347
   0.72027268  0.41681797  0.69001873
   0.79695517  0.13028945  0.97705537
   0.55107093  0.09194916  0.91097288
   0.59914662  0.56244705  0.07387959
   0.87207994  0.71393736  0.29051134
   0.60796142  0.83182542  0.03018704
   0.85122189  0.97158710  0.35338959
   0.92415078  0.90229916  0.16635768
   0.67635598  0.89456963  0.21216469
   0.83222982  0.65598751  0.46871518
   0.58264928  0.55444792  0.39535284
   0.62096087  0.59624211  0.57037205
   0.86243607  0.69591816  0.77675647
   0.59663528  0.80979337  0.43199150
   0.87776969  0.93660895  0.85250060
   0.91348060  0.89478642  0.65131511
   0.66859473  0.89400294  0.74501615
   0.78205872  0.67957923  0.95268003
   0.52836441  0.65105782  0.90035100
   0.65875766  0.81237464  0.58279259
   0.63637763  0.85544548  0.37364658
   0.90920432  0.20346161  0.12614964
   0.78422724  0.43611704  0.36895358
   0.30500542  0.11506737  0.64730712
   0.23881938  0.74098965  0.75399437
   0.02813003  1.12150585  0.14569773
   0.16509458  1.02365577 -0.00253016
   0.62855621  0.36577915  0.87424788
   0.91350739  0.33840479  0.61819605
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905738    0.190138   -0.176480
    -0.000000    9.810805   -0.030566
    -0.000000    0.000000   13.884873
   Si   O    H 
    32    64    10
Direct configuration=   615
   0.14831970  0.16726042 -0.02131134
   0.38012319  0.08028085  0.36997251
   0.13861991  0.40434724  0.12964395
   0.38333984  0.33408754  0.25045395
   0.15037458  0.16211022  0.49092608
   0.39830318  0.13311810  0.86345423
   0.12494000  0.42327229  0.60454078
   0.35020019  0.38329673  0.74477865
   0.13753373  0.66212765  0.00621586
   0.41950953  0.57916912  0.36578758
   0.08021969  0.89571307  0.14114000
   0.35163317  0.81717313  0.24359318
   0.16972486  0.68021314  0.48252193
   0.36942759  0.63627144  0.86763060
   0.06554177  0.91992500  0.61108955
   0.31339195  0.97938699  0.70216843
   0.63617595  0.16074982  1.00460718
   0.88443319  0.13535746  0.36447035
   0.62139632  0.40939609  0.11741220
   0.88783550  0.31592821  0.19471746
   0.63164835  0.18237129  0.49907594
   0.87737682  0.10683238  0.87549399
   0.59819260  0.43867029  0.60979506
   0.73948133  0.36307457  0.79913502
   0.62641797  0.68178942 -0.00653219
   0.91666145  0.59925593  0.37608871
   0.58003145  0.92315748  0.12389314
   0.82972116  0.86416450  0.25581803
   0.66194198  0.66226381  0.47131445
   0.87643563  0.60634917  0.87536431
   0.60381034  0.92697641  0.63487752
   0.83361995  0.85810028  0.75547869
   0.11102465  0.06185133  0.15630322
   0.33818731  0.17629119  0.28103006
   0.11383158  0.30272719  0.03777136
   0.36011964  0.42660273  0.34645839
   0.53685814  0.35248843  0.21363301
   0.29314562  0.38250184  0.16157634
   0.29031601  0.09776834  0.46215299
   0.04578771  0.15419035  0.39286900
   0.07929582  0.07277353  0.56871728
   0.42683905  0.23462313  0.77476394
   0.17847417  0.32550028  0.51696949
   0.34625196  0.47426966  0.84165119
   0.45692716  0.44282600  0.66851440
   0.19591343  0.37998610  0.71018238
   0.29863134  0.20677634 -0.06199390
   0.02401411  0.15932422  0.89674302
   0.11304768  0.55897237  0.09317753
   0.39444078  0.65565947  0.25841092
   0.11030187  0.81878338  0.03968934
   0.39983535  0.91864208  0.33283752
   0.42392740  0.88481897  0.14912100
   0.18706989  0.83482782  0.22266321
   0.32461114  0.67237826  0.45101616
   0.07633032  0.61773153  0.39790735
   0.15066829  0.58022215  0.57394204
   0.33004688  0.72727259  0.77268848
   0.11415748  0.83253469  0.51203351
   0.33124519  0.99253495  0.81735302
   0.44504965  0.91786724  0.64953000
   0.18026468  0.88090113  0.69135761
   0.28344457  0.64604383 -0.03713080
   0.03765879  0.64147586  0.91270152
   0.59412308  0.08059770  0.09657260
   0.82685172  0.22098360  0.27721188
   0.58282232  0.31740939  0.02276646
   0.87813176  0.44766035  0.34597668
   0.03214324  0.38740947  0.21415653
   0.77117905  0.41940135  0.15671953
   0.79891261  0.18566550  0.46481738
   0.53341828  0.12006527  0.41199455
   0.62615861  0.08163920  0.58920555
   0.80193931  0.20137908  0.79033557
   0.57832718  0.33729191  0.52107928
   0.86092364  0.44636932  0.86027179
   0.95982914  0.41939996  0.60773847
   0.71899794  0.41740500  0.69059793
   0.79730576  0.13136698  0.97649796
   0.55288228  0.09104842  0.91033278
   0.59854142  0.56213957  0.07298044
   0.87108922  0.71521544  0.29040013
   0.60675051  0.83338363  0.02993517
   0.84959990  0.97113831  0.35196904
   0.92323343  0.90355393  0.16612992
   0.67539680  0.89382161  0.21247375
   0.83431320  0.65605402  0.46757339
   0.58282431  0.55660041  0.39635652
   0.61926058  0.59564281  0.57108944
   0.86515986  0.69663742  0.77804313
   0.59828421  0.80973373  0.43236306
   0.87799345  0.93716284  0.85177096
   0.91324233  0.89595690  0.65071553
   0.66888676  0.89298728  0.74633373
   0.78185172  0.67895978  0.95305575
   0.52915479  0.65152531  0.89990817
   0.65684216  0.80565955  0.57859607
   0.63160386  0.85170523  0.37256286
   0.91143466  0.21225641  0.12448803
   0.78275520  0.43161542  0.36961421
   0.29852778  0.10869895  0.65195686
   0.23075501  0.74057224  0.75740700
   0.03047785  1.12165133  0.14548180
   0.16514390  1.01756525  0.00131002
   0.61783322  0.36535775  0.87567998
   0.91307479  0.34268174  0.61787138
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906674    0.191158   -0.177621
    -0.000000    9.810328   -0.027221
    -0.000000    0.000000   13.882037
   Si   O    H 
    32    64    10
Direct configuration=   616
   0.14845424  0.16763304 -0.02088183
   0.37981184  0.08087350  0.36964391
   0.13887262  0.40329626  0.13063338
   0.38360435  0.33489936  0.25045308
   0.14741526  0.16303318  0.49084908
   0.39976306  0.13411134  0.86330971
   0.12366949  0.42283435  0.60438989
   0.35205322  0.38217746  0.74449257
   0.13919786  0.66216857  0.00660414
   0.41943035  0.57981675  0.36599494
   0.08104400  0.89661140  0.14079632
   0.35051361  0.81636853  0.24373714
   0.17083152  0.67995258  0.48188936
   0.36937249  0.63636000  0.86762401
   0.06523524  0.91890924  0.61078319
   0.31343014  0.97923132  0.70213551
   0.63820112  0.16041776  1.00414496
   0.88336652  0.13682451  0.36449178
   0.62069758  0.41029724  0.11649576
   0.88837854  0.31534937  0.19379742
   0.63056449  0.18074448  0.49928080
   0.87715613  0.10739566  0.87551764
   0.59696633  0.43931838  0.61024195
   0.73973332  0.36260767  0.79937697
   0.62443184  0.68406117 -0.00661361
   0.91796094  0.60023398  0.37563161
   0.58067644  0.92257459  0.12438734
   0.82948888  0.86343791  0.25591601
   0.66199907  0.66038693  0.47118315
   0.87694427  0.60691501  0.87710748
   0.60355994  0.92687721  0.63521972
   0.83355842  0.85777863  0.75576848
   0.11242883  0.06164023  0.15713435
   0.33828955  0.17660722  0.28138582
   0.11458051  0.30434581  0.03912508
   0.35903751  0.42717545  0.34656632
   0.53650354  0.35521906  0.21387412
   0.29282409  0.38152291  0.16085374
   0.28944937  0.09589472  0.46241984
   0.04617831  0.15386405  0.39184388
   0.07895996  0.07090428  0.56782086
   0.42668292  0.23527113  0.77467288
   0.17839941  0.32619637  0.51659725
   0.34670249  0.47253882  0.84158697
   0.45721359  0.44388628  0.66885464
   0.19591017  0.37915878  0.70920938
   0.29819219  0.20604477 -0.06202427
   0.02433778  0.15789883  0.89772001
   0.11064722  0.55823501  0.09339491
   0.39384225  0.65479260  0.25826144
   0.11184477  0.81803016  0.03955590
   0.39915157  0.91587533  0.33392716
   0.42389744  0.88324396  0.14908369
   0.18689548  0.83362183  0.22194265
   0.32220990  0.67101798  0.45173917
   0.07620769  0.61722306  0.39632241
   0.14974249  0.58338218  0.57319765
   0.32805049  0.72507818  0.77303273
   0.11537339  0.83332411  0.51245783
   0.33085984  0.99239021  0.81682656
   0.44624328  0.91812343  0.65022141
   0.18007116  0.88186738  0.69190002
   0.28354046  0.64499524 -0.03737150
   0.03786830  0.64248563  0.91263610
   0.59412988  0.08099001  0.09792094
   0.82748103  0.22114570  0.27657373
   0.58166007  0.31672166  0.02233397
   0.87868566  0.44589114  0.34440688
   0.03187116  0.38934513  0.21412500
   0.77064783  0.42004474  0.15596753
   0.79904026  0.18625766  0.46612390
   0.53560281  0.11833560  0.41294455
   0.62707639  0.08093500  0.58971583
   0.80090381  0.20123206  0.79081570
   0.57764337  0.33647885  0.51957095
   0.86020582  0.44670903  0.85995414
   0.96222880  0.42127984  0.60974854
   0.71746375  0.41852916  0.69068039
   0.79743989  0.13286995  0.97564134
   0.55427072  0.08999544  0.91011156
   0.59797605  0.56235176  0.07269779
   0.86999653  0.71512081  0.29009368
   0.60602815  0.83434950  0.02959215
   0.84822044  0.97055066  0.35073065
   0.92232570  0.90397833  0.16618513
   0.67557138  0.89330720  0.21355587
   0.83584728  0.65669873  0.46661697
   0.58303583  0.55835306  0.39683953
   0.61815782  0.59460563  0.57138308
   0.86670899  0.69734131  0.77905982
   0.60034632  0.80967570  0.43299865
   0.87824603  0.93783013  0.85101769
   0.91306525  0.89755771  0.65033484
   0.66909808  0.89279953  0.74736566
   0.78137102  0.67832294  0.95370942
   0.53067969  0.65183418  0.89911138
   0.65541638  0.80390702  0.57765515
   0.62820927  0.85137449  0.37141406
   0.91289287  0.21685723  0.12034102
   0.78941202  0.42503656  0.37066949
   0.29265562  0.10389307  0.65458215
   0.22762476  0.73886107  0.76082249
   0.03355176  1.11822195  0.14649471
   0.16406538  1.01921608  0.00702038
   0.61290605  0.36699899  0.87045159
   0.90610720  0.33490098  0.62061883
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907463    0.192236   -0.179270
    -0.000000    9.809293   -0.024360
    -0.000000    0.000000   13.879181
   Si   O    H 
    32    64    10
Direct configuration=   617
   0.14871926  0.16798404 -0.02038153
   0.38006379  0.08122989  0.36899718
   0.13981775  0.40272621  0.13118290
   0.38324046  0.33576271  0.25040614
   0.14442742  0.16412119  0.48997445
   0.40151210  0.13441359  0.86348653
   0.12218702  0.42200692  0.60398054
   0.35381549  0.38068396  0.74455384
   0.13985704  0.66233868  0.00694584
   0.41949228  0.58058719  0.36637303
   0.08234322  0.89726219  0.14051383
   0.34898368  0.81581939  0.24362783
   0.17184072  0.68006382  0.48109936
   0.36910150  0.63578668  0.86757283
   0.06567533  0.91821441  0.61021904
   0.31269231  0.97867976  0.70182956
   0.64046775  0.15962384  1.00355770
   0.88270036  0.13810535  0.36480783
   0.62026323  0.41106380  0.11565792
   0.88841513  0.31447412  0.19299809
   0.62967195  0.17900664  0.49895579
   0.87661440  0.10765480  0.87500940
   0.59575777  0.44044727  0.61060703
   0.73994993  0.36181369  0.79997840
   0.62261813  0.68581933 -0.00646449
   0.91865576  0.60183666  0.37522288
   0.58150009  0.92154071  0.12504035
   0.82894789  0.86303174  0.25586932
   0.66242361  0.65951380  0.47109830
   0.87829638  0.60785318  0.87893499
   0.60389707  0.92672368  0.63548425
   0.83368666  0.85765195  0.75595013
   0.11360378  0.06045945  0.15732986
   0.33923230  0.17736127  0.28183664
   0.11555725  0.30658952  0.03996943
   0.35852410  0.42782100  0.34637408
   0.53608293  0.35721018  0.21339723
   0.29228445  0.38059657  0.15984087
   0.28930578  0.09360689  0.46251275
   0.04647807  0.15309797  0.39122128
   0.07834167  0.06943840  0.56659724
   0.42663798  0.23626955  0.77458706
   0.17718382  0.32670327  0.51721518
   0.34732151  0.47071860  0.84127279
   0.45788903  0.44370323  0.66868996
   0.19561605  0.37838553  0.70812621
   0.29800114  0.20573270 -0.06194353
   0.02470695  0.15654329  0.89901689
   0.10804544  0.55788066  0.09366119
   0.39324500  0.65390566  0.25830908
   0.11344726  0.81725484  0.03967378
   0.39844021  0.91314834  0.33546219
   0.42361902  0.88226591  0.14929481
   0.18695221  0.83216647  0.22114602
   0.31983438  0.66913805  0.45221165
   0.07622451  0.61739897  0.39505716
   0.14852435  0.58602669  0.57321888
   0.32511078  0.72257340  0.77402998
   0.11699650  0.83501590  0.51248256
   0.33101401  0.99238827  0.81675363
   0.44694599  0.91832624  0.65085474
   0.18038836  0.88317206  0.69180050
   0.28418461  0.64453217 -0.03790970
   0.03715477  0.64179233  0.91260025
   0.59381828  0.08194586  0.09978067
   0.82793341  0.22137169  0.27655014
   0.58091318  0.31575598  0.02200794
   0.87864761  0.44444738  0.34287893
   0.03120136  0.39125243  0.21505717
   0.77029106  0.42023580  0.15496398
   0.79915058  0.18624309  0.46697161
   0.53740826  0.11698045  0.41293719
   0.62689024  0.08049859  0.59002225
   0.79984347  0.20202333  0.79117114
   0.57714613  0.33567841  0.51812976
   0.85989745  0.44637029  0.85940510
   0.96397462  0.42216311  0.61136060
   0.71611477  0.41948788  0.69085722
   0.79677384  0.13486431  0.97529380
   0.55493825  0.08886972  0.91008901
   0.59796870  0.56226779  0.07253525
   0.86859717  0.71421918  0.29034825
   0.60682540  0.83604066  0.02930136
   0.84666094  0.97033274  0.34933014
   0.92147489  0.90462025  0.16618300
   0.67632300  0.89185653  0.21495231
   0.83625793  0.65703600  0.46563448
   0.58271902  0.55998794  0.39710674
   0.61669789  0.59380047  0.57192523
   0.86806164  0.69808646  0.77953638
   0.60331293  0.80896796  0.43399406
   0.87840760  0.93866064  0.85012837
   0.91292240  0.89858515  0.65033268
   0.66964985  0.89287889  0.74780057
   0.77995739  0.67813141  0.95418557
   0.53110836  0.65245453  0.89840119
   0.65034261  0.81362037  0.58009735
   0.62617196  0.85062656  0.37537857
   0.91525998  0.21868976  0.11286664
   0.79380272  0.41800594  0.36922116
   0.28771690  0.10568267  0.65291926
   0.23141591  0.73846400  0.76488696
   0.03361023  1.11840533  0.14788834
   0.16469680  1.02879157  0.01032737
   0.61743796  0.36719710  0.86252481
   0.90353994  0.33767386  0.62356672
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908324    0.193375   -0.180927
    -0.000000    9.808245   -0.021644
    -0.000000    0.000000   13.876305
   Si   O    H 
    32    64    10
Direct configuration=   618
   0.14962715  0.16820222 -0.01965597
   0.38050056  0.08063770  0.36908112
   0.14061734  0.40210455  0.13128567
   0.38334744  0.33592247  0.25002646
   0.14154470  0.16508870  0.48893895
   0.40315589  0.13481431  0.86404386
   0.12090061  0.42157121  0.60368023
   0.35545840  0.37953002  0.74476538
   0.14041136  0.66216749  0.00707041
   0.41923890  0.58109680  0.36697391
   0.08303239  0.89798956  0.14029192
   0.34750241  0.81585709  0.24352020
   0.17278144  0.67985790  0.48006222
   0.36856940  0.63542556  0.86738893
   0.06551724  0.91775480  0.60966727
   0.31212858  0.97788924  0.70141376
   0.64241543  0.15826329  1.00313402
   0.88257365  0.13898844  0.36526003
   0.61992042  0.41179871  0.11477212
   0.88847978  0.31344119  0.19263455
   0.62834331  0.17753435  0.49875619
   0.87619743  0.10840671  0.87442207
   0.59452110  0.44169738  0.61068414
   0.74007825  0.36081108  0.80028182
   0.62147288  0.68717365 -0.00648590
   0.91879048  0.60410719  0.37471484
   0.58153621  0.92118881  0.12565746
   0.82814763  0.86260526  0.25602427
   0.66321901  0.65842361  0.47070336
   0.87989815  0.60884215  0.88052082
   0.60392608  0.92721705  0.63566169
   0.83345839  0.85774673  0.75596819
   0.11367301  0.06007104  0.15799821
   0.34076405  0.17859594  0.28294838
   0.11582779  0.30808620  0.04077858
   0.35775783  0.42804728  0.34673147
   0.53620608  0.35899353  0.21271383
   0.29174710  0.37927261  0.15818089
   0.28878538  0.09134761  0.46261724
   0.04642119  0.15291654  0.39106713
   0.07719644  0.06807397  0.56611994
   0.42600397  0.23617029  0.77469928
   0.17625461  0.32655684  0.51729634
   0.34841341  0.46936026  0.84104911
   0.45855286  0.44390505  0.66891191
   0.19622168  0.37848713  0.70723445
   0.29721988  0.20491753 -0.06155078
   0.02521707  0.15583815  0.89989955
   0.10456809  0.55734481  0.09397918
   0.39228947  0.65298305  0.25853127
   0.11536797  0.81703825  0.03969889
   0.39717390  0.91176952  0.33701101
   0.42453139  0.88135493  0.14933329
   0.18713316  0.83081558  0.22041923
   0.31965569  0.66730531  0.45248631
   0.07691796  0.61753397  0.39384415
   0.14774074  0.58811115  0.57349025
   0.32241599  0.72049532  0.77520685
   0.11874294  0.83733523  0.51273436
   0.33106348  0.99138267  0.81658946
   0.44734912  0.91825861  0.65186269
   0.18047438  0.88397060  0.69144092
   0.28443694  0.64385108 -0.03863438
   0.03621817  0.64151766  0.91236099
   0.59384127  0.08257053  0.10138753
   0.82852464  0.22160107  0.27680570
   0.58039394  0.31476502  0.02146042
   0.87900360  0.44279120  0.34151924
   0.03081864  0.39285361  0.21586395
   0.77034988  0.41975874  0.15434574
   0.79906487  0.18608224  0.46682009
   0.53857414  0.11606962  0.41274306
   0.62626908  0.08000523  0.59049405
   0.79885726  0.20280970  0.79181673
   0.57675782  0.33494803  0.51690438
   0.85959874  0.44616472  0.85869614
   0.96519832  0.42264028  0.61268312
   0.71513514  0.42056562  0.69123052
   0.79528269  0.13668316  0.97520276
   0.55522566  0.08709441  0.91036506
   0.59739737  0.56319208  0.07241779
   0.86750524  0.71332558  0.29081973
   0.60771251  0.83745722  0.02919264
   0.84541176  0.97061610  0.34773416
   0.92230032  0.90498492  0.16629474
   0.67739760  0.88995914  0.21680338
   0.83521593  0.65769205  0.46456593
   0.58202179  0.56110999  0.39707952
   0.61476149  0.59300167  0.57255461
   0.86966535  0.69983692  0.78020944
   0.60627154  0.80784312  0.43596936
   0.87837104  0.94000503  0.84920363
   0.91283015  0.89947621  0.65096370
   0.67042895  0.89277928  0.74798145
   0.77823277  0.67716530  0.95481125
   0.53133044  0.65293707  0.89727710
   0.64690919  0.82342645  0.58430905
   0.62397518  0.85513139  0.37044741
   0.91600576  0.22037742  0.11034675
   0.79584169  0.41338634  0.36727826
   0.28241657  0.11004104  0.65151033
   0.22765559  0.73889435  0.76868910
   0.03279689  1.11900761  0.15133933
   0.16629085  1.03845543  0.01495882
   0.62401605  0.36772746  0.85490008
   0.90684175  0.34909613  0.62473004
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909351    0.194511   -0.182024
    -0.000000    9.806962   -0.019085
    -0.000000    0.000000   13.873435
   Si   O    H 
    32    64    10
Direct configuration=   619
   0.15024704  0.16867489 -0.01929316
   0.38082106  0.07945454  0.36943338
   0.14009408  0.40234159  0.13128478
   0.38316965  0.33532919  0.24948861
   0.13963081  0.16652657  0.48799099
   0.40436912  0.13509423  0.86464596
   0.11993512  0.42100595  0.60372640
   0.35683881  0.37877452  0.74465054
   0.14121701  0.66183362  0.00724272
   0.41845884  0.58150440  0.36740909
   0.08432879  0.89876553  0.14019770
   0.34618033  0.81601605  0.24316649
   0.17283922  0.67969685  0.47940455
   0.36843273  0.63459673  0.86710677
   0.06516814  0.91687033  0.60942371
   0.31169440  0.97744221  0.70086499
   0.64376027  0.15646347  1.00289076
   0.88281104  0.13926965  0.36616128
   0.61975615  0.41246551  0.11415098
   0.88775062  0.31248606  0.19285313
   0.62724753  0.17593269  0.49827104
   0.87574259  0.10896317  0.87388709
   0.59360213  0.44260138  0.61050869
   0.74040797  0.35992318  0.80062273
   0.62060284  0.68729729 -0.00643216
   0.91885623  0.60552869  0.37445936
   0.58121037  0.92135874  0.12636152
   0.82743354  0.86225941  0.25622806
   0.66450083  0.65754393  0.47022671
   0.88172378  0.60986598  0.88202774
   0.60311103  0.92816549  0.63621971
   0.83280818  0.85861386  0.75584343
   0.11364189  0.06015528  0.15856814
   0.34191857  0.17996960  0.28409099
   0.11619702  0.30954222  0.04188486
   0.35766902  0.42872075  0.34717703
   0.53633833  0.36064448  0.21187484
   0.29158134  0.37796699  0.15682505
   0.28832049  0.08978244  0.46265516
   0.04667060  0.15299166  0.39068081
   0.07636072  0.06776966  0.56544605
   0.42488993  0.23666118  0.77481231
   0.17494945  0.32542687  0.51793500
   0.34971681  0.46868596  0.84078875
   0.45813094  0.44421385  0.66922141
   0.19693917  0.37829844  0.70571223
   0.29755651  0.20398944 -0.06188622
   0.02665077  0.15468394  0.90072081
   0.10093361  0.55654838  0.09452752
   0.39172675  0.65316461  0.25816861
   0.11727753  0.81754629  0.03998189
   0.39499405  0.91060201  0.33859415
   0.42547332  0.88089872  0.14980757
   0.18667190  0.82978235  0.21974295
   0.32212616  0.66510651  0.45178748
   0.07826918  0.61722675  0.39282510
   0.14630945  0.58985158  0.57430284
   0.32031914  0.71837315  0.77638573
   0.12053652  0.83888741  0.51280400
   0.33188229  0.99083209  0.81679025
   0.44705201  0.91760164  0.65270617
   0.18023369  0.88480091  0.69141469
   0.28488545  0.64361780 -0.03929678
   0.03572644  0.64042541  0.91233415
   0.59357887  0.08342858  0.10235250
   0.82870141  0.22219061  0.27660342
   0.58039401  0.31337405  0.02068971
   0.87926161  0.44125656  0.34070993
   0.03035739  0.39438896  0.21638852
   0.77000788  0.41970174  0.15383591
   0.79822714  0.18660569  0.46647430
   0.53939333  0.11437138  0.41234516
   0.62656054  0.07921033  0.59154085
   0.79757054  0.20338433  0.79252859
   0.57678063  0.33410554  0.51664800
   0.85851059  0.44583133  0.85817379
   0.96588909  0.42347349  0.61398089
   0.71481347  0.42033963  0.69195959
   0.79434961  0.13829511  0.97490569
   0.55548619  0.08553489  0.91124963
   0.59645607  0.56509437  0.07287913
   0.86585078  0.71176142  0.29136695
   0.60922666  0.83927173  0.02886057
   0.84401599  0.97020692  0.34584538
   0.92297821  0.90511119  0.16653513
   0.67730962  0.88770360  0.21863313
   0.83393078  0.65826905  0.46415141
   0.58081499  0.56143862  0.39632242
   0.61289346  0.59278025  0.57289128
   0.87098463  0.70077139  0.78026691
   0.60890011  0.80785713  0.43757410
   0.87850011  0.94238498  0.84923845
   0.91273725  0.90119057  0.65189351
   0.67109797  0.89242801  0.74733784
   0.77599467  0.67637026  0.95598401
   0.53129405  0.65367570  0.89593843
   0.64753840  0.82454749  0.58531770
   0.62073103  0.85590163  0.36934745
   0.91748234  0.21924422  0.11233356
   0.79291086  0.40942183  0.36865892
   0.28119124  0.11287180  0.65170573
   0.21795685  0.74290842  0.77279432
   0.02991518  1.12161112  0.15352730
   0.16730308  1.03715989  0.01696355
   0.62582975  0.36840292  0.85051103
   0.90846963  0.35549550  0.62462816
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910268    0.195582   -0.183535
    -0.000000    9.805619   -0.016393
    -0.000000    0.000000   13.870651
   Si   O    H 
    32    64    10
Direct configuration=   620
   0.15088330  0.17002445 -0.01927040
   0.38136082  0.07783778  0.37004851
   0.13970544  0.40310164  0.13122578
   0.38292877  0.33539249  0.24950600
   0.13825049  0.16759811  0.48734481
   0.40582882  0.13455528  0.86452076
   0.11870732  0.42095020  0.60318038
   0.35756651  0.37856291  0.74426101
   0.14129156  0.66147956  0.00735267
   0.41770674  0.58191400  0.36809696
   0.08509422  0.89915710  0.14039961
   0.34509252  0.81612725  0.24253094
   0.17210935  0.68006835  0.47921979
   0.36870235  0.63325293  0.86634010
   0.06468619  0.91628606  0.60888826
   0.31147519  0.97673939  0.70036444
   0.64405152  0.15517106  1.00290455
   0.88350815  0.13967310  0.36771255
   0.61928085  0.41344377  0.11317576
   0.88693688  0.31143409  0.19318939
   0.62627895  0.17434492  0.49777687
   0.87510448  0.10924687  0.87317848
   0.59306150  0.44337241  0.61040032
   0.74166754  0.35915133  0.80072101
   0.61965783  0.68711144 -0.00685496
   0.91889198  0.60660338  0.37414723
   0.58049443  0.92168627  0.12716635
   0.82677237  0.86207774  0.25675110
   0.66583322  0.65695194  0.46963390
   0.88336448  0.61071766  0.88372215
   0.60189776  0.92856597  0.63677734
   0.83211884  0.85974018  0.75575901
   0.11400755  0.06041690  0.15914489
   0.34287297  0.18198370  0.28450645
   0.11611620  0.31041310  0.04194934
   0.35755060  0.42845121  0.34729486
   0.53739335  0.36320924  0.21031157
   0.29217506  0.37667289  0.15619738
   0.28771611  0.08878957  0.46344805
   0.04631475  0.15231721  0.39012704
   0.07614209  0.06761349  0.56493135
   0.42351029  0.23712432  0.77503704
   0.17417156  0.32406480  0.51886575
   0.35114991  0.46913200  0.84047419
   0.45810281  0.44432340  0.66935372
   0.19821443  0.37863572  0.70369456
   0.29800537  0.20242813 -0.06246285
   0.02773628  0.15310662  0.90151203
   0.09788023  0.55553263  0.09484032
   0.39011454  0.65406018  0.25782182
   0.11910616  0.81819919  0.04041803
   0.39251977  0.90915917  0.33996537
   0.42682369  0.87951995  0.14995607
   0.18704358  0.82903375  0.21928301
   0.32559953  0.66321118  0.45020359
   0.08016821  0.61700040  0.39182594
   0.14634950  0.59040221  0.57551714
   0.31774753  0.71627201  0.77724729
   0.12201968  0.83987862  0.51293394
   0.33310918  0.98990027  0.81751124
   0.44587621  0.91688564  0.65295327
   0.17897187  0.88540892  0.69153691
   0.28496870  0.64352746 -0.03938347
   0.03548193  0.63911850  0.91227581
   0.59342665  0.08428577  0.10344743
   0.82898404  0.22272126  0.27676622
   0.58008538  0.31156781  0.02029747
   0.87970354  0.44050121  0.34036651
   0.03018670  0.39485358  0.21684001
   0.76975860  0.42005936  0.15347766
   0.79626287  0.18637501  0.46604835
   0.53990507  0.11377408  0.41126846
   0.62641729  0.07779490  0.59283637
   0.79623601  0.20329957  0.79299832
   0.57707820  0.33315335  0.51662150
   0.85776280  0.44606059  0.85767142
   0.96670517  0.42462974  0.61512952
   0.71526487  0.41963598  0.69258573
   0.79316662  0.14048260  0.97417800
   0.55519400  0.08427959  0.91241844
   0.59535889  0.56681164  0.07364781
   0.86471606  0.71120839  0.29146742
   0.61096833  0.84146850  0.02830458
   0.84323206  0.97029858  0.34435954
   0.92374682  0.90455080  0.16636004
   0.67691421  0.88557851  0.22001025
   0.83236505  0.65921749  0.46453995
   0.58005557  0.56102452  0.39462781
   0.61195509  0.59313143  0.57284978
   0.87178220  0.70127426  0.78032759
   0.61169207  0.80902789  0.43916940
   0.87794718  0.94554428  0.84960938
   0.91253438  0.90260429  0.65270432
   0.67212573  0.89192667  0.74646521
   0.77461160  0.67623504  0.95681691
   0.53109260  0.65414317  0.89447509
   0.65369277  0.81580111  0.58364864
   0.61336459  0.84937072  0.37552042
   0.91968249  0.21514593  0.11600743
   0.79549604  0.40960129  0.36819575
   0.28260964  0.11342408  0.65392058
   0.21694472  0.74530733  0.77514351
   0.03377758  1.12355330  0.15517638
   0.16722622  1.03064564  0.01889569
   0.61756285  0.36801981  0.85109517
   0.90125108  0.35247974  0.62627826
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911235    0.197007   -0.185115
    -0.000000    9.803871   -0.013227
    -0.000000    0.000000   13.868076
   Si   O    H 
    32    64    10
Direct configuration=   621
   0.15207371  0.17072779 -0.01971680
   0.38195102  0.07584125  0.37063627
   0.13954538  0.40421209  0.13114468
   0.38323538  0.33588250  0.24974803
   0.13775078  0.16855282  0.48693672
   0.40681397  0.13377038  0.86439977
   0.11795986  0.42157447  0.60320217
   0.35787936  0.37857121  0.74386900
   0.14136115  0.66105377  0.00778817
   0.41740201  0.58270284  0.36855718
   0.08592208  0.89913401  0.14048482
   0.34529080  0.81688311  0.24189219
   0.17125846  0.68074661  0.47928363
   0.36974321  0.63216011  0.86541897
   0.06480792  0.91586808  0.60830497
   0.31103366  0.97569804  0.70020420
   0.64320111  0.15389283  1.00295945
   0.88443537  0.13976606  0.36926564
   0.61847210  0.41441851  0.11234738
   0.88622460  0.31075574  0.19319435
   0.62576114  0.17223136  0.49728986
   0.87445922  0.10940037  0.87241473
   0.59329007  0.44333205  0.61007693
   0.74304758  0.35871477  0.80077590
   0.61835820  0.68671978 -0.00726167
   0.91880681  0.60798450  0.37407739
   0.57952495  0.92191780  0.12823068
   0.82665293  0.86229060  0.25744053
   0.66640619  0.65616441  0.46914444
   0.88488888  0.61165553  0.88472911
   0.60126763  0.92904017  0.63739352
   0.83176315  0.86027010  0.75514466
   0.11328548  0.06109727  0.15937924
   0.34468687  0.18320279  0.28476017
   0.11639623  0.31078739  0.04152881
   0.35801486  0.42840591  0.34744663
   0.53763344  0.36511745  0.20918533
   0.29393015  0.37522882  0.15623915
   0.28685028  0.08848438  0.46405705
   0.04630394  0.15141778  0.38911424
   0.07590348  0.06870746  0.56464966
   0.42290144  0.23757555  0.77538951
   0.17387833  0.32260559  0.51986098
   0.35260653  0.46995392  0.83980284
   0.45798207  0.44457792  0.66982158
   0.20016833  0.37846121  0.70215414
   0.29826796  0.20059365 -0.06297371
   0.02895673  0.15163582  0.90219958
   0.09585768  0.55481447  0.09504927
   0.38909956  0.65504919  0.25797600
   0.12040554  0.81863322  0.04093757
   0.38944769  0.90833469  0.34133054
   0.42769133  0.87843828  0.14986755
   0.18720363  0.82798067  0.21942597
   0.32989341  0.66152586  0.44874845
   0.08120029  0.61743692  0.39053721
   0.14642716  0.59079910  0.57661038
   0.31475139  0.71408465  0.77792232
   0.12363480  0.84001285  0.51295497
   0.33482462  0.99012081  0.81830575
   0.44431827  0.91538612  0.65296181
   0.17712402  0.88552131  0.69160072
   0.28499666  0.64385986 -0.03977886
   0.03552314  0.63692923  0.91246861
   0.59242467  0.08491687  0.10413175
   0.82891375  0.22330113  0.27746173
   0.58038519  0.31053105  0.02028478
   0.88067411  0.44009125  0.34024570
   0.02930693  0.39505576  0.21717449
   0.76907052  0.42033090  0.15305504
   0.79456740  0.18633957  0.46590598
   0.54004091  0.11239989  0.40977305
   0.62603765  0.07660990  0.59377492
   0.79549609  0.20299328  0.79371091
   0.57673363  0.33303350  0.51655219
   0.85777392  0.44660199  0.85761265
   0.96673477  0.42522135  0.61619952
   0.71543665  0.41872036  0.69341791
   0.79275794  0.14282715  0.97362196
   0.55434513  0.08340346  0.91296596
   0.59439518  0.56919124  0.07396908
   0.86319486  0.71026283  0.29142539
   0.61215261  0.84381053  0.02765941
   0.84312312  0.97059529  0.34367060
   0.92490609  0.90422542  0.16614743
   0.67646511  0.88347235  0.22142603
   0.83094306  0.66111470  0.46546004
   0.57953374  0.56049189  0.39282539
   0.61091176  0.59348903  0.57296524
   0.87241136  0.70192454  0.78017900
   0.61372969  0.80909829  0.44090395
   0.87764243  0.94919401  0.84904749
   0.91187003  0.90403807  0.65386143
   0.67295975  0.89201608  0.74550469
   0.77488452  0.67713873  0.95776801
   0.53045346  0.65432238  0.89332454
   0.65683940  0.80965873  0.58119735
   0.61058736  0.84647083  0.37983364
   0.91979760  0.20699099  0.11912588
   0.79730642  0.40947719  0.36858666
   0.28323127  0.11466170  0.65763420
   0.22577928  0.74398437  0.77974645
   0.03828661  1.12229761  0.15635754
   0.16852605  1.02381335  0.01738449
   0.60703062  0.36951503  0.85194726
   0.89649550  0.35243375  0.62784864
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912353    0.198576   -0.186340
    -0.000000    9.802624   -0.010190
    -0.000000    0.000000   13.865685
   Si   O    H 
    32    64    10
Direct configuration=   622
   0.15305250  0.17124413 -0.02060008
   0.38295908  0.07328680  0.37091188
   0.13945569  0.40575321  0.13117972
   0.38370411  0.33626616  0.24977300
   0.13766186  0.16986512  0.48633037
   0.40735362  0.13248305  0.86440296
   0.11816793  0.42306888  0.60346148
   0.35750168  0.37913438  0.74351727
   0.14174923  0.66031484  0.00803925
   0.41794632  0.58291839  0.36875677
   0.08689102  0.89931242  0.14088834
   0.34552001  0.81732687  0.24163388
   0.17036594  0.68099935  0.47973601
   0.37168433  0.63074269  0.86455782
   0.06493444  0.91535265  0.60792155
   0.30995829  0.97452580  0.70042842
   0.64131345  0.15260300  1.00286679
   0.88529974  0.13948853  0.37058615
   0.61750821  0.41484278  0.11170871
   0.88560520  0.31075993  0.19321065
   0.62535245  0.17058189  0.49672850
   0.87394351  0.10973374  0.87200635
   0.59357630  0.44248304  0.60947535
   0.74369920  0.35833071  0.80128772
   0.61815123  0.68606777 -0.00779988
   0.91886706  0.60914735  0.37392760
   0.57828204  0.92208665  0.12867344
   0.82707720  0.86233125  0.25830373
   0.66687978  0.65562735  0.46851327
   0.88596193  0.61265174  0.88548957
   0.60130235  0.92901577  0.63839148
   0.83156844  0.86009508  0.75458646
   0.11304376  0.06109188  0.15969910
   0.34599281  0.18408316  0.28516402
   0.11676982  0.31063887  0.04009500
   0.35834974  0.42850585  0.34754906
   0.53821416  0.36690399  0.20848090
   0.29585270  0.37402093  0.15622070
   0.28632844  0.08918834  0.46476187
   0.04633582  0.15130011  0.38778794
   0.07625137  0.07023658  0.56453383
   0.42260264  0.23829040  0.77545795
   0.17388000  0.32082937  0.52081004
   0.35371904  0.47020167  0.83897631
   0.45709888  0.44502077  0.67065788
   0.20278247  0.37876256  0.70073237
   0.29825399  0.19897440 -0.06344711
   0.02922748  0.15077346  0.90264523
   0.09492890  0.55434318  0.09535500
   0.38881101  0.65685344  0.25860563
   0.12128640  0.81924861  0.04177938
   0.38655545  0.90772006  0.34240016
   0.42873629  0.87723508  0.14945378
   0.18746966  0.82758007  0.21967095
   0.33451909  0.65996543  0.44707576
   0.08154489  0.61815589  0.38929161
   0.14653629  0.59088356  0.57767638
   0.31283350  0.71283244  0.77744199
   0.12521593  0.84009812  0.51253217
   0.33744918  0.98993436  0.81878476
   0.44288962  0.91391067  0.65269542
   0.17540579  0.88402552  0.69166006
   0.28529623  0.64462161 -0.03958181
   0.03647816  0.63492534  0.91281569
   0.59157887  0.08526954  0.10494338
   0.82888021  0.22307674  0.27896656
   0.58119980  0.30961283  0.02014156
   0.88127508  0.44072532  0.34059626
   0.02944762  0.39440425  0.21776878
   0.76927790  0.42017174  0.15265550
   0.79296292  0.18570722  0.46551163
   0.53992569  0.11050003  0.40839631
   0.62509935  0.07545673  0.59434379
   0.79492048  0.20263373  0.79403480
   0.57628655  0.33290198  0.51711514
   0.85789442  0.44724033  0.85712320
   0.96601929  0.42474723  0.61718624
   0.71520741  0.41765916  0.69409623
   0.79269831  0.14613593  0.97299519
   0.55344678  0.08356374  0.91351520
   0.59332637  0.57197841  0.07387574
   0.86229971  0.71006451  0.29153113
   0.61334930  0.84568802  0.02706980
   0.84336754  0.97149193  0.34380430
   0.92643311  0.90423920  0.16534215
   0.67514333  0.88093096  0.22282067
   0.82978208  0.66175850  0.46658400
   0.57869699  0.55972286  0.39047072
   0.60955038  0.59358396  0.57302430
   0.87246254  0.70222627  0.78010256
   0.61531457  0.80849398  0.44309146
   0.87762653  0.95269308  0.84894735
   0.91140216  0.90432760  0.65500910
   0.67257903  0.89246096  0.74465971
   0.77470644  0.67799914  0.95834666
   0.52962980  0.65417803  0.89255373
   0.66221571  0.80680256  0.57975273
   0.60968422  0.84838811  0.37400688
   0.91843845  0.20315702  0.12100987
   0.79601648  0.40948723  0.36930565
   0.28275679  0.11211806  0.66224116
   0.22373601  0.74963020  0.78285913
   0.03980316  1.12416548  0.16024028
   0.16812442  1.02102260  0.01200276
   0.60092126  0.37173636  0.85275175
   0.89652577  0.35894863  0.62786414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913618    0.200409   -0.187522
    -0.000000    9.801132   -0.007490
    -0.000000    0.000000   13.863745
   Si   O    H 
    32    64    10
Direct configuration=   623
   0.15368953  0.17120557 -0.02115984
   0.38309557  0.07059875  0.37149069
   0.13934191  0.40699743  0.13140186
   0.38439871  0.33729709  0.25006665
   0.13772800  0.17087158  0.48563264
   0.40813211  0.13077440  0.86474761
   0.11853978  0.42477126  0.60371697
   0.35678127  0.37989996  0.74353176
   0.14110395  0.65988549  0.00817153
   0.41807163  0.58340268  0.36859810
   0.08719797  0.89961857  0.14064249
   0.34526279  0.81837108  0.24168082
   0.16959213  0.68155873  0.48029694
   0.37298774  0.62946150  0.86388223
   0.06492946  0.91469556  0.60705698
   0.30885110  0.97371759  0.70046172
   0.63941822  0.15105829  1.00238964
   0.88607570  0.13892247  0.37185791
   0.61621004  0.41540673  0.11097108
   0.88529109  0.31093602  0.19308246
   0.62552763  0.16917373  0.49641517
   0.87367463  0.10989262  0.87174242
   0.59382002  0.44191955  0.60879217
   0.74423728  0.35797204  0.80182252
   0.61821771  0.68590881 -0.00858696
   0.91868037  0.60961802  0.37366745
   0.57676287  0.92274687  0.12894878
   0.82756543  0.86231860  0.25924447
   0.66726977  0.65473995  0.46825547
   0.88677038  0.61311599  0.88588088
   0.60129461  0.92870481  0.63931484
   0.83123428  0.86008243  0.75417563
   0.11386418  0.06142830  0.15999920
   0.34707920  0.18421421  0.28548459
   0.11676873  0.30990511  0.03866034
   0.35828599  0.42875473  0.34760226
   0.53928989  0.36866786  0.20844212
   0.29699278  0.37302237  0.15577562
   0.28528814  0.09006067  0.46486738
   0.04653380  0.15154874  0.38636850
   0.07632310  0.07219283  0.56442296
   0.42231930  0.23908281  0.77610592
   0.17365765  0.32021870  0.52157177
   0.35501985  0.47045494  0.83848158
   0.45617948  0.44565734  0.67091634
   0.20464045  0.37894802  0.69925205
   0.29874548  0.19783631 -0.06411347
   0.02927013  0.15063147  0.90224578
   0.09354072  0.55481836  0.09545219
   0.38871541  0.65837279  0.25976275
   0.12182146  0.81994372  0.04282594
   0.38349870  0.90822896  0.34266212
   0.42902124  0.87626256  0.14940787
   0.18782724  0.82661784  0.21985417
   0.33768129  0.65881386  0.44615417
   0.08190534  0.61880173  0.38820069
   0.14606845  0.59115127  0.57846971
   0.31092869  0.71084895  0.77617851
   0.12671656  0.83994947  0.51187274
   0.34046814  0.99004001  0.81938609
   0.44060738  0.91299771  0.65261792
   0.17431311  0.88282870  0.69190343
   0.28630220  0.64483224 -0.03957572
   0.03823696  0.63343895  0.91382961
   0.59103356  0.08559458  0.10553036
   0.82928693  0.22308294  0.28028655
   0.58253141  0.30906323  0.02048901
   0.88196011  0.44102206  0.34124172
   0.02990086  0.39364842  0.21818956
   0.77017930  0.42003191  0.15166160
   0.79157089  0.18474117  0.46569218
   0.53936899  0.10898245  0.40672820
   0.62480562  0.07523465  0.59432236
   0.79474909  0.20208706  0.79413805
   0.57607038  0.33248035  0.51790219
   0.85804996  0.44858264  0.85607702
   0.96466493  0.42512356  0.61852222
   0.71538453  0.41641958  0.69357595
   0.79268437  0.14855876  0.97159659
   0.55199729  0.08376340  0.91422533
   0.59238503  0.57424938  0.07432071
   0.86162732  0.70970975  0.29164800
   0.61491935  0.84787476  0.02602423
   0.84447491  0.97317235  0.34410672
   0.92716094  0.90393667  0.16526594
   0.67332482  0.87907007  0.22374544
   0.82769394  0.66270283  0.46745578
   0.57884033  0.55919232  0.38830049
   0.60853969  0.59452961  0.57282650
   0.87243255  0.70209628  0.77984608
   0.61592747  0.80792937  0.44456931
   0.87695067  0.95571181  0.84868060
   0.91109894  0.90409526  0.65654774
   0.67266467  0.89307893  0.74398131
   0.77520532  0.67875110  0.95926304
   0.52923246  0.65430949  0.89193315
   0.66485076  0.81219224  0.58081170
   0.61427098  0.84587073  0.37167236
   0.91522036  0.20066898  0.12437982
   0.79747214  0.41390250  0.36990974
   0.28611944  0.10778718  0.66871328
   0.21503399  0.75740924  0.78617382
   0.03456241  1.13053703  0.16207252
   0.17185358  1.02367197  0.00654311
   0.60419195  0.37111952  0.84950981
   0.89686621  0.36339747  0.62333638
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915426    0.201865   -0.188336
    -0.000000    9.799638   -0.004630
    -0.000000    0.000000   13.862152
   Si   O    H 
    32    64    10
Direct configuration=   624
   0.15429660  0.17095027 -0.02152053
   0.38354478  0.06768629  0.37233525
   0.14000637  0.40761865  0.13155364
   0.38553390  0.33786196  0.25052623
   0.13867346  0.17190581  0.48480677
   0.40928208  0.12891195  0.86538734
   0.11868738  0.42684385  0.60401677
   0.35572922  0.38045104  0.74334576
   0.14101281  0.65944380  0.00827933
   0.41787421  0.58374785  0.36795601
   0.08749426  0.90007136  0.14054894
   0.34450678  0.81955331  0.24200584
   0.16883071  0.68235038  0.48076664
   0.37367343  0.62737262  0.86306776
   0.06500170  0.91457123  0.60584627
   0.30793401  0.97349324  0.70070746
   0.63742247  0.14939799  1.00202077
   0.88661371  0.13769853  0.37262289
   0.61492528  0.41655538  0.11047791
   0.88535664  0.31115066  0.19239056
   0.62532986  0.16847993  0.49629636
   0.87312288  0.10992066  0.87183727
   0.59326419  0.44199343  0.60854812
   0.74499542  0.35778071  0.80276498
   0.61808535  0.68491523 -0.00960258
   0.91816362  0.60994940  0.37336176
   0.57555924  0.92330094  0.12902877
   0.82880085  0.86215136  0.26014418
   0.66726150  0.65415330  0.46812157
   0.88713992  0.61387497  0.88616559
   0.60155589  0.92798865  0.64031776
   0.83112736  0.86013933  0.75389003
   0.11449797  0.06246756  0.16022504
   0.34742139  0.18490376  0.28585763
   0.11685046  0.30896845  0.03724093
   0.35846574  0.42886586  0.34753879
   0.53926173  0.37045113  0.20834980
   0.29723236  0.37270087  0.15574281
   0.28363770  0.09156573  0.46437407
   0.04699106  0.15274351  0.38551994
   0.07542640  0.07297349  0.56413309
   0.42242483  0.23964524  0.77691278
   0.17318748  0.31926913  0.52264918
   0.35661014  0.47093929  0.83851192
   0.45565730  0.44639977  0.67101926
   0.20585762  0.37920609  0.69760519
   0.29914925  0.19720787 -0.06496669
   0.02976761  0.15072695  0.90179857
   0.09258897  0.55650461  0.09552684
   0.38819743  0.65990400  0.26078336
   0.12218603  0.81992319  0.04344885
   0.38067640  0.90918216  0.34242430
   0.42953259  0.87461169  0.14956683
   0.18793813  0.82752991  0.21965750
   0.33940454  0.65900266  0.44589238
   0.08182845  0.61977666  0.38795994
   0.14599184  0.59116604  0.57937920
   0.30885733  0.71054301  0.77505383
   0.12795012  0.83931363  0.51102245
   0.34350302  0.99001016  0.81947229
   0.43947748  0.91229700  0.65213132
   0.17343565  0.88130109  0.69188639
   0.28773731  0.64467141 -0.03922124
   0.03981709  0.63211785  0.91496078
   0.59105888  0.08566861  0.10638915
   0.82929572  0.22172768  0.28175781
   0.58419895  0.30810603  0.02099390
   0.88293544  0.44152179  0.34266168
   0.03056380  0.39186478  0.21853676
   0.77136137  0.41952734  0.15013088
   0.78991948  0.18365633  0.46520604
   0.53869163  0.10827527  0.40485481
   0.62428938  0.07607409  0.59453294
   0.79435741  0.20153928  0.79382683
   0.57537588  0.33195089  0.51888878
   0.85815123  0.44965047  0.85529308
   0.96369920  0.42500747  0.62012735
   0.71547660  0.41479143  0.69229216
   0.79238114  0.15124675  0.97046378
   0.55027398  0.08361865  0.91464403
   0.59165641  0.57595370  0.07422678
   0.86102463  0.71005419  0.29152056
   0.61584726  0.85030612  0.02533291
   0.84559291  0.97580996  0.34388748
   0.92675575  0.90246252  0.16532763
   0.67147541  0.87776789  0.22442346
   0.82620014  0.66335292  0.46804636
   0.57883468  0.55846999  0.38658039
   0.60778186  0.59606694  0.57211513
   0.87191289  0.70196333  0.77965440
   0.61600379  0.80776075  0.44511472
   0.87659801  0.95774866  0.84818743
   0.91014780  0.90387846  0.65829863
   0.67349545  0.89312436  0.74342749
   0.77569721  0.67923188  0.95940181
   0.52862444  0.65450030  0.89129840
   0.66885273  0.82243230  0.58575103
   0.62195509  0.83772740  0.37848557
   0.91298876  0.19662866  0.12632712
   0.79894092  0.41819763  0.36904053
   0.28597683  0.10947555  0.67121817
   0.21850590  0.75904866  0.79033796
   0.03269518  1.12796597  0.16104562
   0.17510892  1.03232043  0.00113085
   0.61239339  0.36824769  0.84539248
   0.88941910  0.36209523  0.62100119
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916890    0.203505   -0.189077
    -0.000000    9.797623   -0.001521
    -0.000000    0.000000   13.860716
   Si   O    H 
    32    64    10
Direct configuration=   625
   0.15445037  0.17010090 -0.02214402
   0.38427635  0.06536595  0.37321204
   0.14101941  0.40814818  0.13167080
   0.38676930  0.33885252  0.25111906
   0.13997474  0.17320066  0.48412909
   0.41002093  0.12696176  0.86541623
   0.11849002  0.42886009  0.60449555
   0.35516299  0.38084316  0.74328195
   0.14131322  0.65883544  0.00835407
   0.41752939  0.58337216  0.36743368
   0.08724672  0.89981532  0.14028497
   0.34431548  0.82027853  0.24297058
   0.16882164  0.68325808  0.48120974
   0.37438595  0.62567082  0.86240162
   0.06435989  0.91443537  0.60473080
   0.30678005  0.97223415  0.70154986
   0.63542635  0.14769287  1.00245374
   0.88611254  0.13617848  0.37313977
   0.61298635  0.41751460  0.11032697
   0.88558839  0.31156505  0.19166893
   0.62562400  0.16807014  0.49577996
   0.87289329  0.11001462  0.87207631
   0.59315989  0.44179817  0.60850804
   0.74531993  0.35721117  0.80349651
   0.61795346  0.68378963 -0.01057093
   0.91756601  0.60986721  0.37346703
   0.57456684  0.92445956  0.12874630
   0.83014950  0.86224728  0.26096867
   0.66708882  0.65405245  0.46805875
   0.88763279  0.61526567  0.88613911
   0.60173980  0.92760740  0.64094171
   0.83096958  0.85928997  0.75411726
   0.11467639  0.06309878  0.16099397
   0.34694993  0.18478285  0.28577805
   0.11587878  0.30886132  0.03562579
   0.35909002  0.42899892  0.34736357
   0.53899342  0.37148221  0.20814334
   0.29655682  0.37205235  0.15536534
   0.28158914  0.09368809  0.46328922
   0.04817267  0.15402782  0.38455370
   0.07444131  0.07409913  0.56407681
   0.42295838  0.23862225  0.77762253
   0.17300462  0.31851107  0.52303342
   0.35794593  0.47172104  0.83931591
   0.45589029  0.44759735  0.67031423
   0.20710037  0.38008553  0.69668259
   0.29911464  0.19653510 -0.06573990
   0.03003946  0.15133877  0.90139364
   0.09179702  0.55885839  0.09544429
   0.38848620  0.66218446  0.26183357
   0.12173843  0.81968519  0.04403594
   0.37762830  0.90911748  0.34222511
   0.42929843  0.87298153  0.14982268
   0.18795667  0.82860065  0.21937657
   0.33973186  0.65874671  0.44595993
   0.08146881  0.62049420  0.38796850
   0.14586913  0.59063968  0.58033239
   0.30706821  0.71107128  0.77425253
   0.12938043  0.83781365  0.50994344
   0.34513105  0.99001935  0.81941804
   0.43889287  0.91143223  0.65135937
   0.17172387  0.88049156  0.69198889
   0.28911780  0.64414219 -0.03885299
   0.04148440  0.63216546  0.91562856
   0.59142609  0.08590907  0.10705103
   0.82979927  0.22091615  0.28324930
   0.58559906  0.30667062  0.02163074
   0.88398075  0.44189518  0.34417304
   0.03188054  0.39022826  0.21918242
   0.77194951  0.41886368  0.14894301
   0.78757467  0.18214298  0.46501774
   0.53761010  0.10743359  0.40379025
   0.62378617  0.07759254  0.59463646
   0.79448511  0.20084692  0.79364047
   0.57480888  0.33094707  0.51966182
   0.85895037  0.45031198  0.85485219
   0.96266831  0.42531864  0.62120223
   0.71570126  0.41304046  0.69102565
   0.79192821  0.15386693  0.96961712
   0.54909883  0.08282719  0.91546721
   0.59066989  0.57705889  0.07387650
   0.86015888  0.71093650  0.29131504
   0.61627978  0.85139760  0.02430798
   0.84647163  0.97795795  0.34400205
   0.92680287  0.90135084  0.16525144
   0.66937665  0.87592687  0.22448383
   0.82596722  0.66327464  0.46814092
   0.57915290  0.55728740  0.38544585
   0.60730990  0.59733748  0.57040545
   0.87146709  0.70128358  0.77963834
   0.61549564  0.80759323  0.44578685
   0.87712059  0.95843132  0.84807580
   0.91021006  0.90340910  0.66004650
   0.67436801  0.89301058  0.74266861
   0.77624379  0.68016935  0.95959116
   0.52907018  0.65505952  0.89071281
   0.67168236  0.83055666  0.59022123
   0.62644238  0.82861233  0.38268613
   0.90698881  0.19457167  0.12621431
   0.79416115  0.42739746  0.37036598
   0.28376657  0.11726897  0.67117636
   0.22915784  0.75731515  0.79130432
   0.03497730  1.11822675  0.15919422
   0.17506972  1.03354221  0.00080992
   0.62169301  0.36554880  0.84106516
   0.88248795  0.35850562  0.62169625
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917981    0.204579   -0.189593
    -0.000000    9.795592    0.001138
    -0.000000    0.000000   13.859615
   Si   O    H 
    32    64    10
Direct configuration=   626
   0.15471958  0.16994327 -0.02291352
   0.38502948  0.06270673  0.37388005
   0.14268060  0.40831827  0.13190079
   0.38783190  0.33961996  0.25132811
   0.14071596  0.17301897  0.48355230
   0.41050922  0.12450780  0.86509196
   0.11926458  0.42963499  0.60504453
   0.35516875  0.38132021  0.74313646
   0.14107681  0.65829574  0.00819586
   0.41668972  0.58234746  0.36653823
   0.08714291  0.90007589  0.14048539
   0.34414806  0.82084373  0.24374969
   0.16829822  0.68448478  0.48147055
   0.37502241  0.62417231  0.86185724
   0.06307151  0.91472727  0.60389030
   0.30566629  0.97168057  0.70247431
   0.63362466  0.14640733  1.00319750
   0.88536315  0.13394004  0.37345809
   0.61132488  0.41841211  0.11038203
   0.88609221  0.31240890  0.19135551
   0.62509444  0.16724773  0.49491805
   0.87269429  0.11082885  0.87290763
   0.59245273  0.44192354  0.60818063
   0.74675467  0.35755783  0.80426074
   0.61791438  0.68301087 -0.01154683
   0.91696570  0.60976540  0.37378483
   0.57382781  0.92594340  0.12859359
   0.83118785  0.86317532  0.26167867
   0.66692087  0.65367614  0.46821269
   0.88774022  0.61579219  0.88541238
   0.60143010  0.92785758  0.64160388
   0.83069751  0.85899690  0.75412314
   0.11478434  0.06335977  0.16219746
   0.34656427  0.18404990  0.28590667
   0.11416459  0.30837436  0.03400622
   0.35896998  0.42834753  0.34702056
   0.53829802  0.37324152  0.20786723
   0.29517079  0.37224348  0.15519123
   0.27913147  0.09538037  0.46235777
   0.04922317  0.15551611  0.38436509
   0.07393020  0.07409321  0.56420713
   0.42475637  0.23730256  0.77828994
   0.17311454  0.31806927  0.52345615
   0.35864116  0.47204629  0.84010726
   0.45627019  0.44789750  0.66930018
   0.20787400  0.38054025  0.69621494
   0.29964948  0.19587525 -0.06661481
   0.02960416  0.15130493  0.90105220
   0.09197438  0.56054965  0.09531353
   0.38880200  0.66365455  0.26245432
   0.12164725  0.81876519  0.04492187
   0.37482481  0.90867444  0.34238611
   0.42860721  0.87200608  0.15009510
   0.18805450  0.82984187  0.21939097
   0.33917953  0.65819403  0.44661032
   0.08110716  0.62157527  0.38813444
   0.14689835  0.58994126  0.58117922
   0.30622109  0.71151785  0.77342709
   0.12983185  0.83615465  0.50857321
   0.34663944  0.99034907  0.81909401
   0.43784527  0.91141349  0.65065389
   0.16997567  0.88062639  0.69145344
   0.29050722  0.64378188 -0.03862229
   0.04225231  0.63136442  0.91610032
   0.59257344  0.08588256  0.10819354
   0.83012282  0.22004839  0.28360825
   0.58672661  0.30588935  0.02272964
   0.88440577  0.44289452  0.34559883
   0.03270936  0.38838563  0.21918095
   0.77251368  0.41816860  0.14733455
   0.78550161  0.18064440  0.46524001
   0.53693288  0.10701845  0.40303636
   0.62348563  0.07910239  0.59408489
   0.79497994  0.20014070  0.79331013
   0.57544217  0.32918729  0.52046221
   0.85917979  0.45110405  0.85447340
   0.96108354  0.42554202  0.62181519
   0.71695657  0.41146706  0.68935053
   0.79171270  0.15584907  0.96917193
   0.54867861  0.08181659  0.91606383
   0.58837807  0.57723682  0.07361620
   0.85995746  0.71182373  0.29092495
   0.61734738  0.85255712  0.02330713
   0.84864764  0.97896851  0.34355679
   0.92641703  0.89976397  0.16581283
   0.66829489  0.87460921  0.22399812
   0.82621474  0.66316301  0.46823624
   0.58039766  0.55629838  0.38452656
   0.60689907  0.59832921  0.56907333
   0.87122689  0.69966308  0.78009840
   0.61523105  0.80734046  0.44715378
   0.87772654  0.95773763  0.84761968
   0.91082220  0.90263823  0.66077590
   0.67490157  0.89325797  0.74160720
   0.77688889  0.68066352  0.95975864
   0.52948916  0.65619771  0.89009564
   0.67283376  0.83378340  0.59152830
   0.63411783  0.82804200  0.36990564
   0.90446946  0.19197720  0.12592450
   0.79221383  0.43603066  0.37173836
   0.28116218  0.12125390  0.67041882
   0.22820645  0.76323939  0.79556974
   0.02882217  1.11529522  0.15715414
   0.17503363  1.02551311  0.00315088
   0.62155021  0.36440384  0.83811106
   0.88390582  0.36203689  0.62319161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919414    0.205627   -0.190370
    -0.000000    9.793848    0.003479
    -0.000000    0.000000   13.858931
   Si   O    H 
    32    64    10
Direct configuration=   627
   0.15520855  0.16939044 -0.02387240
   0.38529432  0.06025346  0.37456109
   0.14433498  0.40813659  0.13179932
   0.38850104  0.34031256  0.25122165
   0.14147042  0.17290904  0.48304485
   0.41080216  0.12265298  0.86512421
   0.12037592  0.42971512  0.60557325
   0.35595010  0.38145041  0.74324723
   0.14072540  0.65789249  0.00768702
   0.41594775  0.58121729  0.36565876
   0.08723527  0.90028134  0.14089101
   0.34419471  0.82052518  0.24439997
   0.16752239  0.68522998  0.48209427
   0.37525623  0.62296895  0.86148946
   0.06116376  0.91443011  0.60306371
   0.30448074  0.97142016  0.70306621
   0.63230276  0.14493216  1.00384099
   0.88449436  0.13208342  0.37409505
   0.61051957  0.41967058  0.11031194
   0.88707307  0.31251730  0.19063084
   0.62498357  0.16608671  0.49414846
   0.87327945  0.11158647  0.87385071
   0.59186673  0.44242465  0.60824201
   0.74755382  0.35781721  0.80470110
   0.61784143  0.68263568 -0.01250924
   0.91681399  0.60948879  0.37415585
   0.57393260  0.92709875  0.12842795
   0.83236369  0.86414821  0.26190383
   0.66680581  0.65327690  0.46867111
   0.88686362  0.61650911  0.88497657
   0.60036503  0.92852246  0.64206757
   0.83112706  0.85878571  0.75474756
   0.11483885  0.06371839  0.16320095
   0.34660601  0.18217242  0.28631363
   0.11187230  0.30787627  0.03281755
   0.35937101  0.42776080  0.34633989
   0.53663888  0.37385295  0.20754798
   0.29374948  0.37323606  0.15542096
   0.27718639  0.09619230  0.46164599
   0.05050614  0.15684799  0.38442624
   0.07269440  0.07376604  0.56477141
   0.42655901  0.23627723  0.77867710
   0.17244130  0.31881580  0.52439251
   0.35924168  0.47169466  0.84074929
   0.45657498  0.44895550  0.66853540
   0.20824132  0.38130579  0.69561411
   0.30099424  0.19626541 -0.06750247
   0.02906685  0.15176490  0.90024938
   0.09305420  0.56226005  0.09517147
   0.38873954  0.66554372  0.26313868
   0.12192420  0.81767683  0.04571228
   0.37168750  0.90822804  0.34224208
   0.42766769  0.87151040  0.14991089
   0.18742181  0.83005704  0.21947123
   0.33732332  0.65780340  0.44785411
   0.08063657  0.62210124  0.38867180
   0.14820008  0.58979434  0.58174881
   0.30572141  0.71149632  0.77256151
   0.13007521  0.83426827  0.50750412
   0.34779930  0.99095055  0.81884250
   0.43726822  0.91220188  0.64962388
   0.16873912  0.88040856  0.69079793
   0.29121901  0.64319745 -0.03771056
   0.04304940  0.63116597  0.91604112
   0.59408312  0.08581506  0.10948329
   0.83063223  0.21860298  0.28361835
   0.58760122  0.30562098  0.02299321
   0.88447803  0.44456656  0.34687044
   0.03383834  0.38678094  0.21892364
   0.77278555  0.41748336  0.14554174
   0.78378412  0.17948080  0.46535942
   0.53624637  0.10629581  0.40323722
   0.62349677  0.07978048  0.59353638
   0.79563516  0.19958681  0.79269780
   0.57566796  0.32751668  0.52019418
   0.85999303  0.45315575  0.85477395
   0.95947016  0.42503499  0.62247674
   0.71776844  0.41049626  0.68754672
   0.79088190  0.15741080  0.96922632
   0.54883172  0.08128994  0.91678659
   0.58618641  0.57685555  0.07329322
   0.85987194  0.71220281  0.29008234
   0.61811827  0.85232094  0.02247137
   0.85009815  0.98010317  0.34307520
   0.92527565  0.89823723  0.16667253
   0.66736616  0.87283367  0.22311559
   0.82731572  0.66224370  0.46834379
   0.58210096  0.55585740  0.38360543
   0.60623410  0.59919940  0.56740813
   0.87060201  0.69824017  0.78099170
   0.61537084  0.80741699  0.44835378
   0.87796991  0.95596753  0.84686389
   0.91151132  0.90181880  0.66058900
   0.67537095  0.89263278  0.74099319
   0.77776286  0.68013123  0.95962377
   0.52857837  0.65762587  0.88992886
   0.67700550  0.83208207  0.59048311
   0.64189394  0.82615082  0.36623315
   0.90202894  0.19066879  0.12566027
   0.78988873  0.44578593  0.36953308
   0.27364070  0.11581693  0.66677802
   0.22640320  0.77011155  0.79873247
   0.02109994  1.11304537  0.15593888
   0.17294518  1.02057880  0.00714186
   0.61096816  0.36271800  0.83958410
   0.89162025  0.36750876  0.62177207
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920822    0.206919   -0.191209
    -0.000000    9.791948    0.005791
    -0.000000    0.000000   13.858229
   Si   O    H 
    32    64    10
Direct configuration=   628
   0.15579920  0.16888828 -0.02448187
   0.38519098  0.05872332  0.37471242
   0.14579536  0.40759734  0.13200939
   0.38940723  0.34077169  0.25082613
   0.14208037  0.17241541  0.48270959
   0.41108654  0.12099910  0.86478269
   0.12127317  0.42951228  0.60623855
   0.35660228  0.38168467  0.74365404
   0.13990640  0.65821039  0.00738497
   0.41607411  0.58030937  0.36480023
   0.08706721  0.90088667  0.14147526
   0.34407649  0.82030156  0.24521069
   0.16687896  0.68531967  0.48281104
   0.37576230  0.62174471  0.86176259
   0.05935822  0.91379568  0.60234571
   0.30264359  0.97160693  0.70355712
   0.63157258  0.14390708  1.00485450
   0.88380904  0.13074746  0.37431004
   0.60974739  0.42027613  0.10985990
   0.88826850  0.31209277  0.19039064
   0.62508748  0.16512936  0.49352530
   0.87388718  0.11199946  0.87449072
   0.59135699  0.44215233  0.60874467
   0.74802788  0.35808074  0.80474399
   0.61780264  0.68298187 -0.01345796
   0.91648126  0.60930530  0.37483891
   0.57455728  0.92777674  0.12847385
   0.83346249  0.86545693  0.26183857
   0.66637172  0.65294869  0.46897786
   0.88527643  0.61794967  0.88447184
   0.59956470  0.92938030  0.64184428
   0.83260725  0.85795966  0.75558440
   0.11427132  0.06362153  0.16401864
   0.34671336  0.17975780  0.28610437
   0.10944936  0.30732813  0.03229633
   0.36044399  0.42695128  0.34534589
   0.53443169  0.37502147  0.20719398
   0.29296218  0.37317685  0.15606993
   0.27664552  0.09660783  0.46062308
   0.05178417  0.15846333  0.38453811
   0.07074794  0.07362651  0.56514524
   0.42780529  0.23442780  0.77860700
   0.17231063  0.31962104  0.52522376
   0.35943742  0.47055437  0.84141431
   0.45670075  0.45109842  0.66802253
   0.20840385  0.38321762  0.69541719
   0.30249468  0.19646145 -0.06833087
   0.02867629  0.15232888  0.89902545
   0.09444370  0.56361888  0.09492021
   0.38900165  0.66725107  0.26386704
   0.12252515  0.81745947  0.04676574
   0.36819728  0.90802933  0.34214681
   0.42668560  0.86962908  0.15006847
   0.18849255  0.82987466  0.21989032
   0.33401240  0.65767933  0.44861844
   0.07974515  0.62228725  0.38962028
   0.14886566  0.58910491  0.58224341
   0.30369976  0.71174954  0.77178348
   0.12957801  0.83296815  0.50660926
   0.34784234  0.99187578  0.81797499
   0.43692793  0.91337150  0.64793513
   0.16714189  0.88049413  0.68985309
   0.29230884  0.64216197 -0.03671338
   0.04403960  0.63065895  0.91611653
   0.59606831  0.08598082  0.11071137
   0.83145367  0.21775895  0.28349853
   0.58811161  0.30589958  0.02268038
   0.88441915  0.44817220  0.34836353
   0.03500407  0.38535201  0.21783635
   0.77362181  0.41722320  0.14383038
   0.78241260  0.17826929  0.46498159
   0.53500599  0.10553623  0.40324356
   0.62383497  0.07996706  0.59257435
   0.79675215  0.19853207  0.79219131
   0.57619767  0.32530282  0.52045482
   0.86041184  0.45519806  0.85483014
   0.95896170  0.42479899  0.62366194
   0.71922629  0.40872289  0.68621468
   0.79030125  0.15860238  0.96988423
   0.54935375  0.08140895  0.91743586
   0.58369388  0.57662507  0.07286546
   0.85994250  0.71240270  0.28940402
   0.61884094  0.85251101  0.02201861
   0.85114987  0.98078321  0.34273266
   0.92364507  0.89771810  0.16750559
   0.66532326  0.87189453  0.22175972
   0.82912325  0.66087536  0.46813781
   0.58389340  0.55533270  0.38273241
   0.60504425  0.59923219  0.56602532
   0.86986247  0.69710004  0.78173878
   0.61619254  0.80794300  0.44860120
   0.87841078  0.95459071  0.84647595
   0.91250083  0.90156357  0.66009947
   0.67534200  0.89234134  0.74110106
   0.77820856  0.68014597  0.95943439
   0.52722751  0.65924328  0.89006982
   0.68280709  0.83080096  0.58851262
   0.64320012  0.82586852  0.37148580
   0.90070767  0.19290292  0.12361026
   0.78890785  0.45079624  0.36747837
   0.26618834  0.10448189  0.66353725
   0.23328223  0.77114833  0.79709338
   0.02007037  1.10870317  0.15759054
   0.16887647  1.02075078  0.00982824
   0.60356398  0.36121750  0.84381091
   0.88393611  0.36203001  0.61962245
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921697    0.208255   -0.192222
    -0.000000    9.790257    0.007887
    -0.000000    0.000000   13.858117
   Si   O    H 
    32    64    10
Direct configuration=   629
   0.15640152  0.16791451 -0.02490556
   0.38460977  0.05816256  0.37501761
   0.14659632  0.40743142  0.13239480
   0.39005694  0.34075842  0.25034850
   0.14201536  0.17156069  0.48259255
   0.41162350  0.12001176  0.86431803
   0.12202835  0.43011126  0.60629545
   0.35712708  0.38145247  0.74396162
   0.13911835  0.65891614  0.00696749
   0.41616853  0.57987839  0.36372135
   0.08674690  0.90085038  0.14198456
   0.34406941  0.81956284  0.24580605
   0.16684839  0.68480403  0.48353188
   0.37603645  0.62098335  0.86215088
   0.05755896  0.91348381  0.60170920
   0.30128400  0.97199015  0.70440163
   0.63126778  0.14381209  1.00579306
   0.88307091  0.13049277  0.37478005
   0.60919110  0.42074568  0.10918062
   0.88914075  0.31104854  0.19067201
   0.62529933  0.16422794  0.49293602
   0.87516711  0.11253297  0.87532163
   0.59102616  0.44157625  0.60919580
   0.74793813  0.35860651  0.80494973
   0.61765074  0.68343210 -0.01383224
   0.91660542  0.60945299  0.37522755
   0.57561482  0.92741771  0.12850115
   0.83410623  0.86712716  0.26122649
   0.66554760  0.65207643  0.46910444
   0.88408805  0.61956751  0.88421393
   0.59840018  0.93008870  0.64150948
   0.83396604  0.85741584  0.75657126
   0.11363590  0.06422439  0.16432411
   0.34749461  0.17799387  0.28631848
   0.10706819  0.30678461  0.03233436
   0.36084999  0.42689627  0.34466900
   0.53208837  0.37604702  0.20701716
   0.29298516  0.37326470  0.15690281
   0.27790849  0.09561534  0.45934021
   0.05234555  0.15899507  0.38468857
   0.06954576  0.07392564  0.56613159
   0.42794962  0.23286025  0.77830627
   0.17120361  0.31979902  0.52594584
   0.35939938  0.46893336  0.84161965
   0.45576956  0.45335955  0.66774246
   0.20952096  0.38484307  0.69515473
   0.30401097  0.19596059 -0.06840479
   0.02856138  0.15336297  0.89797882
   0.09651996  0.56495337  0.09509858
   0.38959290  0.66783221  0.26477795
   0.12356006  0.81650330  0.04771858
   0.36524575  0.90758789  0.34266480
   0.42538817  0.86845820  0.15041001
   0.18923567  0.82973982  0.22064374
   0.33034220  0.65707144  0.44947795
   0.07927321  0.62398118  0.39084091
   0.14926253  0.58799652  0.58264815
   0.30273850  0.71116520  0.77113001
   0.12877544  0.83179254  0.50624438
   0.34748166  0.99265047  0.81690277
   0.43606516  0.91451434  0.64645675
   0.16506721  0.88084737  0.68938351
   0.29355707  0.64131297 -0.03636943
   0.04404462  0.63023352  0.91624907
   0.59771303  0.08646495  0.11188623
   0.83181226  0.21757705  0.28279661
   0.58897180  0.30680649  0.02267863
   0.88359897  0.45247994  0.35028906
   0.03569188  0.38462884  0.21707998
   0.77401479  0.41633840  0.14241017
   0.78161340  0.17732410  0.46490360
   0.53561980  0.10404751  0.40362482
   0.62378215  0.08023858  0.59168853
   0.79764479  0.19744351  0.79137738
   0.57644300  0.32274993  0.52059319
   0.86026471  0.45655314  0.85525708
   0.95918573  0.42454179  0.62467549
   0.72047009  0.40670036  0.68482787
   0.78947024  0.15897621  0.97104071
   0.54916563  0.08195948  0.91761788
   0.58189898  0.57764749  0.07204050
   0.86071887  0.71197057  0.28932435
   0.61874941  0.85174649  0.02174092
   0.85207280  0.98110286  0.34220038
   0.92217955  0.89789635  0.16856729
   0.66427604  0.87107198  0.22093178
   0.83076624  0.65857694  0.46810826
   0.58476193  0.55533001  0.38184327
   0.60462140  0.59861568  0.56491456
   0.86957964  0.69582876  0.78239282
   0.61665743  0.80865155  0.44825617
   0.87862859  0.95292592  0.84623795
   0.91384255  0.90100763  0.65945982
   0.67584902  0.89207290  0.74116452
   0.77767376  0.68027503  0.95898338
   0.52580729  0.66140439  0.89025095
   0.68407991  0.82943390  0.58667511
   0.63799903  0.82478597  0.38359112
   0.90172930  0.19804297  0.11752948
   0.78394405  0.45479215  0.36709144
   0.25837807  0.09975864  0.66010405
   0.24074123  0.77284463  0.79448222
   0.02490047  1.10177977  0.16126734
   0.16453946  1.02141609  0.01283982
   0.60210563  0.36055891  0.84701627
   0.87630686  0.36051720  0.61734797
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922358    0.209379   -0.193428
    -0.000000    9.788539    0.010341
    -0.000000    0.000000   13.857846
   Si   O    H 
    32    64    10
Direct configuration=   630
   0.15609443  0.16764028 -0.02543695
   0.38348620  0.05787046  0.37544732
   0.14678262  0.40758687  0.13250393
   0.39140492  0.33992210  0.24975962
   0.14177004  0.17062051  0.48256557
   0.41242074  0.11923824  0.86358011
   0.12257320  0.43106294  0.60619942
   0.35838585  0.38147018  0.74397770
   0.13905782  0.65922890  0.00641417
   0.41595314  0.57916671  0.36260120
   0.08636185  0.90077909  0.14317264
   0.34371675  0.81898827  0.24635612
   0.16670265  0.68358493  0.48391390
   0.37609206  0.62137976  0.86253895
   0.05532015  0.91292783  0.60115783
   0.30013197  0.97223077  0.70453199
   0.63084254  0.14383373  1.00630289
   0.88269698  0.13067340  0.37533918
   0.60892797  0.42152152  0.10854307
   0.88991747  0.30957802  0.19126817
   0.62513032  0.16366319  0.49215283
   0.87672755  0.11306258  0.87648542
   0.59107336  0.44127075  0.60947353
   0.74860675  0.35913237  0.80522461
   0.61758746  0.68414916 -0.01392572
   0.91679756  0.60931564  0.37597704
   0.57655061  0.92667032  0.12851158
   0.83441259  0.86843278  0.26044144
   0.66466535  0.65158578  0.46901589
   0.88354727  0.62019828  0.88327320
   0.59788296  0.93142568  0.64103637
   0.83549839  0.85668052  0.75704927
   0.11258161  0.06427432  0.16436093
   0.34822057  0.17639979  0.28669231
   0.10536061  0.30720617  0.03251635
   0.36065743  0.42653064  0.34341106
   0.52949228  0.37730864  0.20676257
   0.29392615  0.37369483  0.15780608
   0.27967878  0.09498064  0.45886790
   0.05216517  0.15963540  0.38448261
   0.06788373  0.07443699  0.56703087
   0.42772464  0.23229296  0.77804654
   0.17028568  0.31971689  0.52607874
   0.35897566  0.46628309  0.84147102
   0.45516618  0.45547294  0.66789131
   0.21046733  0.38543154  0.69512156
   0.30546691  0.19601677 -0.06781819
   0.02898801  0.15429901  0.89675434
   0.09881077  0.56613133  0.09507644
   0.38953793  0.66694428  0.26603935
   0.12389525  0.81610192  0.04916894
   0.36279777  0.90750496  0.34331561
   0.42414280  0.86835073  0.15080977
   0.18961653  0.82907482  0.22145940
   0.32687784  0.65672835  0.44982068
   0.07851044  0.62566041  0.39153960
   0.14939579  0.58686671  0.58281180
   0.30182680  0.71024610  0.77076123
   0.12776671  0.83180803  0.50604668
   0.34732027  0.99216591  0.81595666
   0.43505584  0.91574709  0.64560353
   0.16393348  0.88125990  0.68901850
   0.29374792  0.64138281 -0.03591471
   0.04453482  0.62887891  0.91608197
   0.59939004  0.08748852  0.11291762
   0.83207097  0.21740782  0.28192427
   0.58994312  0.30824848  0.02238719
   0.88224522  0.45704146  0.35230690
   0.03686306  0.38304553  0.21642984
   0.77314672  0.41520370  0.14120268
   0.78143518  0.17620066  0.46459425
   0.53556982  0.10328863  0.40415843
   0.62390182  0.07976253  0.59091714
   0.79907940  0.19642968  0.78999049
   0.57650408  0.31937039  0.52047468
   0.85990071  0.45865191  0.85515413
   0.95904693  0.42396372  0.62501812
   0.72140194  0.40523167  0.68354812
   0.78857333  0.15861058  0.97286313
   0.54837041  0.08233382  0.91715195
   0.58025296  0.57797253  0.07129279
   0.86118132  0.71124389  0.28945537
   0.61787662  0.85040425  0.02156595
   0.85189975  0.98091998  0.34202840
   0.92048120  0.89826174  0.16951795
   0.66390697  0.87013015  0.21986956
   0.83156563  0.65635977  0.46844036
   0.58582092  0.55580980  0.38092211
   0.60378809  0.59682249  0.56456355
   0.86892762  0.69541312  0.78296256
   0.61599283  0.80874176  0.44855782
   0.87943899  0.95120260  0.84589256
   0.91468424  0.90035537  0.65818313
   0.67648590  0.89171434  0.74143864
   0.77780596  0.67990945  0.95882992
   0.52487373  0.66301346  0.89059272
   0.67847365  0.82942319  0.58453473
   0.63443303  0.83007239  0.38395419
   0.90634117  0.20195003  0.11555217
   0.78631717  0.45645336  0.36648803
   0.25419195  0.09971204  0.65384896
   0.23833862  0.78503928  0.79533268
   0.01831320  1.10432408  0.16237867
   0.15995318  1.03074379  0.01460792
   0.61046214  0.36293689  0.84933191
   0.88192592  0.36530149  0.61617634
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922637    0.210886   -0.194982
    -0.000000    9.786422    0.012629
    -0.000000    0.000000   13.857392
   Si   O    H 
    32    64    10
Direct configuration=   631
   0.15557817  0.16763680 -0.02603047
   0.38201361  0.05815048  0.37582211
   0.14613316  0.40728609  0.13170705
   0.39266469  0.33832465  0.24949140
   0.14116136  0.16980869  0.48282496
   0.41278838  0.11866073  0.86261029
   0.12290883  0.43157719  0.60626905
   0.35932036  0.38218437  0.74396088
   0.13987570  0.65981113  0.00633193
   0.41585377  0.57832931  0.36161366
   0.08627772  0.90126183  0.14458650
   0.34325181  0.81839838  0.24703976
   0.16651498  0.68122355  0.48421892
   0.37495228  0.62156890  0.86311502
   0.05336221  0.91280549  0.60047289
   0.29915144  0.97233133  0.70451516
   0.63074426  0.14424134  1.00637931
   0.88251759  0.13125875  0.37577591
   0.60898604  0.42289750  0.10790378
   0.89060496  0.30855629  0.19150861
   0.62562892  0.16365092  0.49133804
   0.87799674  0.11380677  0.87764750
   0.59101439  0.44075576  0.60974327
   0.74946776  0.35939451  0.80551701
   0.61705231  0.68473532 -0.01407035
   0.91715690  0.60935094  0.37672698
   0.57704620  0.92544265  0.12841567
   0.83424415  0.86887445  0.25985757
   0.66389710  0.65106191  0.46854786
   0.88365195  0.62017880  0.88213355
   0.59741645  0.93282689  0.64037981
   0.83657222  0.85580432  0.75753809
   0.11130283  0.06408948  0.16476019
   0.34880823  0.17508411  0.28687860
   0.10426143  0.30731500  0.03303208
   0.35943257  0.42621270  0.34233308
   0.52762376  0.37885606  0.20637349
   0.29567696  0.37341698  0.15837397
   0.28108298  0.09395894  0.45845347
   0.05214948  0.16024955  0.38412804
   0.06624347  0.07502961  0.56767319
   0.42801424  0.23182412  0.77777126
   0.16962713  0.32028573  0.52586090
   0.35874014  0.46422352  0.84107819
   0.45366516  0.45755666  0.66775116
   0.21217351  0.38583466  0.69500172
   0.30620552  0.19659814 -0.06661836
   0.02985669  0.15401177  0.89523552
   0.10113276  0.56716180  0.09515475
   0.38987406  0.66576982  0.26778501
   0.12295456  0.81551275  0.04990385
   0.35982009  0.90723755  0.34373422
   0.42389827  0.86885104  0.15155240
   0.18910402  0.82843977  0.22206917
   0.32457532  0.65618150  0.45001005
   0.07691269  0.62705199  0.39156531
   0.14933565  0.58657182  0.58285533
   0.30112448  0.71007678  0.77036923
   0.12705478  0.83356605  0.50598371
   0.34726444  0.99209803  0.81489547
   0.43415378  0.91732488  0.64454781
   0.16235754  0.88170441  0.68928990
   0.29340463  0.64153148 -0.03507694
   0.04416268  0.62809447  0.91520634
   0.60075221  0.08846703  0.11343869
   0.83214981  0.21800716  0.28097168
   0.59105869  0.30883706  0.02230843
   0.88133810  0.46003981  0.35384731
   0.03802896  0.38139173  0.21567869
   0.77173276  0.41420954  0.14080025
   0.78217499  0.17421761  0.46385938
   0.53559006  0.10255807  0.40475701
   0.62418575  0.07947706  0.59091449
   0.79956694  0.19641078  0.78836506
   0.57664200  0.31709791  0.52038926
   0.85905061  0.46015930  0.85515000
   0.96000601  0.42386797  0.62535624
   0.72133408  0.40332369  0.68229025
   0.78736036  0.15841493  0.97447338
   0.54692697  0.08217514  0.91685340
   0.57877296  0.57815359  0.07067290
   0.86102794  0.71115132  0.29005866
   0.61598717  0.84924623  0.02140942
   0.85189321  0.97987302  0.34184415
   0.91931761  0.89848399  0.17028343
   0.66474706  0.86969371  0.21931764
   0.83209744  0.65351368  0.46900260
   0.58644720  0.55671429  0.38035587
   0.60358972  0.59476261  0.56476854
   0.86719982  0.69580194  0.78300623
   0.61577765  0.80883329  0.44857965
   0.88107375  0.95048223  0.84596499
   0.91538458  0.89982648  0.65701532
   0.67715327  0.89090247  0.74153321
   0.77811226  0.67891965  0.95821833
   0.52421603  0.66359192  0.89080662
   0.66907635  0.83090628  0.58298569
   0.63454068  0.84067394  0.37648263
   0.91535858  0.20314628  0.11657138
   0.78244423  0.45819846  0.36569979
   0.25110159  0.10257916  0.65118517
   0.24077386  0.78888767  0.79306765
   0.01480383  1.11009366  0.16323369
   0.15697024  1.03744741  0.01708722
   0.62215361  0.36058775  0.84878299
   0.89148334  0.37073734  0.61282659
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922938    0.212684   -0.196566
    -0.000000    9.784177    0.014967
    -0.000000    0.000000   13.857342
   Si   O    H 
    32    64    10
Direct configuration=   632
   0.15541862  0.16801892 -0.02720060
   0.38060162  0.05879409  0.37567334
   0.14543368  0.40620217  0.13057626
   0.39388305  0.33595782  0.24985197
   0.14057702  0.16894140  0.48283492
   0.41259543  0.11904444  0.86159297
   0.12324699  0.43210830  0.60658441
   0.35974914  0.38332808  0.74367941
   0.14114533  0.65982594  0.00597557
   0.41567988  0.57831242  0.36047064
   0.08662062  0.90215820  0.14584127
   0.34335660  0.81839251  0.24777364
   0.16670440  0.67834640  0.48456167
   0.37265612  0.62219331  0.86417424
   0.05178166  0.91263792  0.60002429
   0.29829530  0.97224850  0.70432246
   0.63070207  0.14494616  1.00595691
   0.88216453  0.13191437  0.37635893
   0.60990191  0.42435595  0.10737064
   0.89045027  0.30777884  0.19142304
   0.62625349  0.16374946  0.49100610
   0.87908530  0.11481891  0.87874870
   0.59117477  0.44042959  0.61017843
   0.75038279  0.35954949  0.80513018
   0.61585818  0.68521820 -0.01383138
   0.91804027  0.60969827  0.37788590
   0.57768037  0.92321712  0.12836411
   0.83336661  0.86898169  0.25935353
   0.66350034  0.65035724  0.46824001
   0.88390130  0.61981242  0.88111779
   0.59717573  0.93423486  0.63957217
   0.83678453  0.85532028  0.75747400
   0.10974428  0.06437562  0.16487503
   0.34952224  0.17419846  0.28673600
   0.10280106  0.30742855  0.03358641
   0.35739300  0.42557521  0.34174001
   0.52772649  0.38002513  0.20523486
   0.29764141  0.37251086  0.15946282
   0.28235385  0.09315328  0.45847384
   0.05179539  0.16076062  0.38414590
   0.06421921  0.07622811  0.56794239
   0.42822012  0.23170409  0.77752349
   0.16919534  0.32088454  0.52523846
   0.35939933  0.46280288  0.84083058
   0.45231090  0.45966813  0.66801125
   0.21328145  0.38547258  0.69555687
   0.30702721  0.19679677 -0.06525042
   0.03155173  0.15367322  0.89368446
   0.10385323  0.56737381  0.09613118
   0.39069194  0.66477352  0.26940238
   0.12189532  0.81553195  0.05011281
   0.35661724  0.90752445  0.34394434
   0.42421623  0.86973560  0.15255224
   0.18865747  0.82714088  0.22298698
   0.32300507  0.65576281  0.45014457
   0.07576177  0.62832647  0.39127361
   0.15007502  0.58629381  0.58296213
   0.30044180  0.71023571  0.77008733
   0.12619209  0.83562811  0.50640985
   0.34721946  0.99094880  0.81382661
   0.43355086  0.91890865  0.64386609
   0.16213108  0.88169471  0.68958564
   0.29342060  0.64163793 -0.03388110
   0.04362573  0.62716418  0.91408899
   0.60160616  0.08860702  0.11340930
   0.83216063  0.21868217  0.27987683
   0.59196506  0.30987403  0.02204672
   0.88008502  0.46124894  0.35480618
   0.03807782  0.38055011  0.21463277
   0.77096134  0.41311703  0.13969849
   0.78238657  0.17131393  0.46270615
   0.53471260  0.10144610  0.40558873
   0.62387653  0.07959742  0.59116911
   0.80002926  0.19655627  0.78695632
   0.57614745  0.31623447  0.52049187
   0.85936630  0.46078623  0.85524733
   0.96189373  0.42445159  0.62600716
   0.72124419  0.40141736  0.68117203
   0.78645129  0.15893944  0.97601331
   0.54590209  0.08147371  0.91705885
   0.57701445  0.57875566  0.07007951
   0.86084693  0.71115341  0.29021696
   0.61362285  0.84862936  0.02116794
   0.85116349  0.97884371  0.34196259
   0.91934492  0.89918158  0.17057284
   0.66572901  0.86929806  0.21903279
   0.83158711  0.65141984  0.46961451
   0.58663744  0.55763943  0.37998474
   0.60353866  0.59236619  0.56494368
   0.86501216  0.69624658  0.78312567
   0.61612492  0.80942688  0.44767889
   0.88241247  0.94910915  0.84596255
   0.91568399  0.89954134  0.65563956
   0.67775661  0.89091727  0.74186992
   0.77744993  0.67788588  0.95757089
   0.52396188  0.66422113  0.89077728
   0.66041761  0.82955840  0.58503567
   0.63472899  0.84637624  0.37503897
   0.92554056  0.20595604  0.11846180
   0.77833424  0.45664628  0.36325698
   0.25348563  0.10611410  0.65104069
   0.24748406  0.78300340  0.78816741
   0.01931790  1.11116704  0.16501957
   0.15593977  1.04185820  0.02003471
   0.62851978  0.36025691  0.84901067
   0.88406602  0.36307042  0.60614143
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923266    0.214903   -0.198222
    -0.000000    9.782554    0.016766
    -0.000000    0.000000   13.857337
   Si   O    H 
    32    64    10
Direct configuration=   633
   0.15568671  0.16896691 -0.02795176
   0.37911512  0.06049702  0.37526753
   0.14427022  0.40534011  0.12884163
   0.39418611  0.33328844  0.25005444
   0.13982903  0.16721470  0.48310460
   0.41237590  0.11993297  0.86024636
   0.12288217  0.43214732  0.60723069
   0.36004220  0.38341123  0.74340112
   0.14253830  0.66040220  0.00562189
   0.41558528  0.57760732  0.35993102
   0.08620493  0.90284842  0.14691937
   0.34372744  0.81902503  0.24844262
   0.16722863  0.67532444  0.48457607
   0.37050143  0.62211692  0.86546442
   0.05086256  0.91274509  0.59961505
   0.29763750  0.97271287  0.70416608
   0.63098303  0.14609285  1.00543122
   0.88172793  0.13256256  0.37646997
   0.61056308  0.42566764  0.10673085
   0.89084163  0.30692850  0.19124842
   0.62662306  0.16405409  0.49091694
   0.87992760  0.11617965  0.87949838
   0.59172810  0.44017425  0.61043121
   0.75138669  0.35896082  0.80441059
   0.61551572  0.68602986 -0.01382477
   0.91842472  0.61087009  0.37897547
   0.57814929  0.92084870  0.12814720
   0.83247817  0.86940335  0.25841584
   0.66286242  0.64951622  0.46794732
   0.88392873  0.61855687  0.88041128
   0.59655606  0.93595622  0.63867603
   0.83709556  0.85464155  0.75744150
   0.10910474  0.06467170  0.16536633
   0.35060025  0.17391329  0.28637547
   0.10242082  0.30749857  0.03456935
   0.35591516  0.42583313  0.34177206
   0.52886581  0.38178395  0.20438136
   0.29870828  0.37130021  0.16071105
   0.28341570  0.09325181  0.45880859
   0.05057239  0.16163502  0.38381094
   0.06206882  0.07704725  0.56826427
   0.42758176  0.23246774  0.77674904
   0.16945756  0.32022106  0.52479648
   0.35957771  0.46130811  0.84083313
   0.45158973  0.46116939  0.66830149
   0.21391555  0.38535749  0.69635269
   0.30764626  0.19653757 -0.06427173
   0.03342552  0.15321233  0.89212965
   0.10695858  0.56793712  0.09653469
   0.39147693  0.66308051  0.27077167
   0.12111263  0.81630191  0.05050065
   0.35379982  0.90807745  0.34458023
   0.42591247  0.87052681  0.15316396
   0.18798942  0.82610210  0.22381057
   0.32231198  0.65540573  0.45017581
   0.07420040  0.62936240  0.39152681
   0.15004873  0.58631077  0.58252373
   0.30076048  0.70903645  0.76980327
   0.12521432  0.83758555  0.50706309
   0.34749181  0.98947014  0.81299468
   0.43256001  0.91973816  0.64303871
   0.16203739  0.88179170  0.68994754
   0.29373221  0.64199793 -0.03277631
   0.04273893  0.62663858  0.91323658
   0.60231231  0.08798650  0.11314621
   0.83171848  0.22054161  0.27900123
   0.59226817  0.31015907  0.02210543
   0.87830982  0.46130520  0.35593947
   0.03727806  0.38008533  0.21297308
   0.77067977  0.41143733  0.13904167
   0.78243052  0.16896354  0.46155989
   0.53438922  0.10017682  0.40596844
   0.62491554  0.07905726  0.59120932
   0.80064397  0.19714864  0.78544048
   0.57543641  0.31648822  0.52083505
   0.85979930  0.46030944  0.85569978
   0.96304572  0.42483748  0.62660987
   0.72092986  0.39956718  0.68028837
   0.78645815  0.15857628  0.97728923
   0.54534326  0.08067645  0.91760959
   0.57560574  0.57869221  0.06909768
   0.86093133  0.71120224  0.29075929
   0.61101369  0.84757013  0.02136688
   0.85009115  0.97747190  0.34231864
   0.91991525  0.89979045  0.17084219
   0.66648802  0.86906394  0.21941961
   0.83038949  0.64937669  0.47048831
   0.58619567  0.55898306  0.37988413
   0.60263590  0.58970676  0.56496528
   0.86143693  0.69650556  0.78340272
   0.61682964  0.81062750  0.44609514
   0.88434524  0.94872433  0.84595921
   0.91464224  0.89888378  0.65453899
   0.67816294  0.89071461  0.74188309
   0.77603108  0.67639687  0.95709517
   0.52342107  0.66456934  0.89031877
   0.65032838  0.82480539  0.58690408
   0.63251082  0.84452868  0.37905619
   0.93343391  0.21055392  0.11809363
   0.77990486  0.45266999  0.36012574
   0.26298068  0.10992226  0.65558529
   0.24384768  0.78786692  0.78629702
   0.02738611  1.11315845  0.16707363
   0.15648016  1.04232071  0.02226714
   0.62472277  0.35982048  0.85214184
   0.88553007  0.35913448  0.60021697
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923547    0.217042   -0.199695
    -0.000000    9.781126    0.018599
    -0.000000    0.000000   13.857470
   Si   O    H 
    32    64    10
Direct configuration=   634
   0.15573212  0.17011188 -0.02858027
   0.37872285  0.06244703  0.37456829
   0.14387834  0.40409264  0.12726341
   0.39394697  0.33025494  0.25071451
   0.13883075  0.16558464  0.48392514
   0.41239620  0.12093140  0.85913500
   0.12181642  0.43227212  0.60793691
   0.35996588  0.38286913  0.74286315
   0.14338759  0.66106365  0.00557353
   0.41517696  0.57677011  0.36014005
   0.08536925  0.90333788  0.14820393
   0.34395458  0.81952584  0.24912651
   0.16804231  0.67224718  0.48455742
   0.36834394  0.62239953  0.86653002
   0.05041172  0.91248887  0.59879359
   0.29680074  0.97384177  0.70399397
   0.63104793  0.14822429  1.00477307
   0.88188798  0.13268417  0.37665195
   0.61197939  0.42702017  0.10606572
   0.89076533  0.30624283  0.19125757
   0.62696459  0.16421667  0.49107319
   0.88043796  0.11654313  0.88015619
   0.59221967  0.43968611  0.61025624
   0.75209599  0.35830300  0.80358130
   0.61593459  0.68640627 -0.01358846
   0.91869726  0.61291826  0.37975351
   0.57839313  0.91828774  0.12813667
   0.83082378  0.87013001  0.25732546
   0.66209905  0.64857469  0.46768890
   0.88424399  0.61757516  0.88034841
   0.59593944  0.93757802  0.63755897
   0.83744262  0.85390670  0.75727777
   0.10872767  0.06501071  0.16565312
   0.35217909  0.17392864  0.28620331
   0.10185034  0.30761031  0.03613195
   0.35445065  0.42614857  0.34218645
   0.52895367  0.38398885  0.20374206
   0.29880416  0.37065679  0.16148845
   0.28345714  0.09255457  0.45903180
   0.04820308  0.16249019  0.38366308
   0.05918355  0.07878696  0.56795731
   0.42817510  0.23387241  0.77504061
   0.16907026  0.31988566  0.52405176
   0.35940136  0.46023355  0.84108034
   0.45165660  0.46250811  0.66821005
   0.21463123  0.38553349  0.69709136
   0.30804237  0.19674846 -0.06354225
   0.03614952  0.15172013  0.89083066
   0.11055196  0.56744965  0.09647397
   0.39108631  0.66196370  0.27126263
   0.12095086  0.81795344  0.05027393
   0.35115942  0.90806711  0.34469169
   0.42664522  0.87087862  0.15407120
   0.18742353  0.82469406  0.22477114
   0.32162820  0.65505476  0.45037743
   0.07231423  0.63004282  0.39185670
   0.15078232  0.58683628  0.58242087
   0.30173972  0.70749030  0.76991646
   0.12468792  0.83929399  0.50770752
   0.34744403  0.98786507  0.81243041
   0.43153104  0.92016165  0.64268995
   0.16184905  0.88162872  0.69005946
   0.29410005  0.64200861 -0.03142920
   0.04168918  0.62631268  0.91237663
   0.60300417  0.08718250  0.11331783
   0.83073893  0.22183104  0.27846140
   0.59239623  0.30946213  0.02229464
   0.87544786  0.46017359  0.35690251
   0.03644517  0.38040846  0.21119024
   0.77101402  0.40931753  0.13825904
   0.78259792  0.16772041  0.46047232
   0.53435731  0.09892724  0.40577140
   0.62568249  0.07942201  0.59126150
   0.80153916  0.19727559  0.78442227
   0.57452625  0.31750416  0.52187862
   0.86073137  0.45989109  0.85565154
   0.96387289  0.42490801  0.62707259
   0.71986557  0.39869071  0.67969313
   0.78709925  0.15795312  0.97780507
   0.54476098  0.08001672  0.91773446
   0.57445529  0.57849280  0.06847764
   0.86124068  0.71228441  0.29095350
   0.60837228  0.84767337  0.02166946
   0.84880027  0.97554518  0.34324430
   0.92057053  0.90038046  0.17009767
   0.66737462  0.86912869  0.21953463
   0.82892111  0.64782297  0.47180524
   0.58595308  0.56016542  0.37943909
   0.60186223  0.58730012  0.56504651
   0.85715955  0.69756300  0.78333050
   0.61863602  0.81231067  0.44527056
   0.88687922  0.94893522  0.84614095
   0.91276527  0.89834530  0.65380384
   0.67782124  0.89082297  0.74255390
   0.77390553  0.67418782  0.95691859
   0.52252462  0.66496477  0.89041511
   0.64331329  0.81784088  0.58386728
   0.62881855  0.83985731  0.38559840
   0.93605096  0.21117538  0.11844836
   0.78082504  0.44656036  0.35527483
   0.27336371  0.11037135  0.66080716
   0.23828374  0.78950419  0.78325137
   0.02807969  1.11874899  0.16703442
   0.15678134  1.04152571  0.02521959
   0.62017839  0.35861622  0.85424315
   0.89925283  0.36014847  0.59990717
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924210    0.219450   -0.201259
    -0.000000    9.779679    0.021022
    -0.000000    0.000000   13.857704
   Si   O    H 
    32    64    10
Direct configuration=   635
   0.15572509  0.17116665 -0.02922488
   0.37921097  0.06421587  0.37399960
   0.14336261  0.40334340  0.12583956
   0.39388426  0.32760455  0.25132532
   0.13817806  0.16415825  0.48470845
   0.41181344  0.12228762  0.85867698
   0.12052210  0.43229790  0.60821352
   0.36033766  0.38271820  0.74245856
   0.14349414  0.66175696  0.00552287
   0.41547009  0.57518712  0.36126608
   0.08402791  0.90427042  0.14924585
   0.34470515  0.81976622  0.24946907
   0.16915418  0.66936726  0.48456577
   0.36629738  0.62332046  0.86748461
   0.05051961  0.91227120  0.59792623
   0.29640674  0.97518559  0.70339744
   0.63054013  0.15005893  1.00427569
   0.88275559  0.13301888  0.37690463
   0.61375020  0.42810810  0.10532788
   0.89046551  0.30485377  0.19156281
   0.62764771  0.16429814  0.49112729
   0.88092683  0.11659409  0.88100173
   0.59238334  0.43838045  0.60995092
   0.75349121  0.35752384  0.80262542
   0.61621543  0.68732039 -0.01345814
   0.91809822  0.61501048  0.38076101
   0.57803620  0.91582006  0.12819100
   0.82894839  0.86982361  0.25587116
   0.66083072  0.64870658  0.46710195
   0.88467073  0.61655593  0.88070865
   0.59505336  0.93908875  0.63688700
   0.83729660  0.85417468  0.75654229
   0.10824254  0.06528071  0.16643859
   0.35359363  0.17450980  0.28567699
   0.10200656  0.30807075  0.03721035
   0.35346761  0.42553638  0.34275076
   0.52936199  0.38564970  0.20253571
   0.29804998  0.36961552  0.16154333
   0.28345298  0.09225169  0.46005144
   0.04517199  0.16360730  0.38375866
   0.05631707  0.07981260  0.56796885
   0.42864182  0.23506075  0.77363747
   0.16872316  0.31903719  0.52317282
   0.35926146  0.45893599  0.84190675
   0.45200423  0.46379884  0.66797321
   0.21430599  0.38629475  0.69804288
   0.30850935  0.19611254 -0.06287787
   0.03893724  0.15092465  0.88970752
   0.11407614  0.56613050  0.09667297
   0.39155751  0.66163368  0.27106467
   0.12140488  0.81994494  0.04956424
   0.34833875  0.90704801  0.34553568
   0.42759058  0.87138457  0.15504894
   0.18587904  0.82378331  0.22609285
   0.32109222  0.65447453  0.45049881
   0.07100992  0.63024945  0.39185985
   0.15120555  0.58706843  0.58232318
   0.30274809  0.70592682  0.77014925
   0.12414879  0.83954189  0.50881052
   0.34689722  0.98617571  0.81140151
   0.43042343  0.92015202  0.64201340
   0.16276089  0.88130312  0.68965141
   0.29424831  0.64216397 -0.03076956
   0.04140384  0.62538850  0.91172861
   0.60310916  0.08545517  0.11368252
   0.82987026  0.22180168  0.27848313
   0.59253288  0.30943724  0.02247162
   0.87286313  0.45893976  0.35796455
   0.03508404  0.38010483  0.20983873
   0.77101956  0.40795932  0.13771725
   0.78311839  0.16595598  0.45907274
   0.53397507  0.09722843  0.40588457
   0.62617775  0.08013909  0.59133796
   0.80288041  0.19750797  0.78361028
   0.57360567  0.31864274  0.52329338
   0.86165792  0.45846904  0.85552247
   0.96370876  0.42519692  0.62763297
   0.71880033  0.39763548  0.67967234
   0.78774520  0.15655358  0.97783482
   0.54350383  0.07860812  0.91801982
   0.57324074  0.57806360  0.06754822
   0.86162052  0.71320936  0.29132622
   0.60626757  0.84740593  0.02200365
   0.84805633  0.97452773  0.34427276
   0.92173697  0.90161847  0.16904762
   0.66874725  0.86926620  0.22036542
   0.82742421  0.64698292  0.47322977
   0.58570259  0.56115020  0.37919645
   0.60106176  0.58560349  0.56473468
   0.85335438  0.69814370  0.78357958
   0.61954248  0.81310725  0.44590997
   0.88823262  0.94975842  0.84685759
   0.91058266  0.89726711  0.65279308
   0.67796361  0.89087788  0.74368163
   0.77186578  0.67202765  0.95663070
   0.52161017  0.66435888  0.88994013
   0.63706360  0.80739870  0.58413077
   0.62946545  0.84582966  0.37599912
   0.93823520  0.21058533  0.11595226
   0.77206410  0.43974798  0.35047645
   0.28018753  0.10948497  0.66651474
   0.23436564  0.78408852  0.78034503
   0.02463652  1.12523847  0.16613578
   0.16124029  1.04223218  0.02489039
   0.61863216  0.35812505  0.85536374
   0.91616061  0.36444520  0.60012566
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924400    0.221454   -0.203887
    -0.000000    9.778092    0.023621
    -0.000000    0.000000   13.857351
   Si   O    H 
    32    64    10
Direct configuration=   636
   0.15600537  0.17201942 -0.02945103
   0.38018571  0.06578174  0.37370042
   0.14208661  0.40285222  0.12449338
   0.39322056  0.32562352  0.25194616
   0.13707262  0.16308111  0.48501662
   0.41134424  0.12382031  0.85841457
   0.11927964  0.43227943  0.60830073
   0.36045217  0.38275094  0.74165907
   0.14358304  0.66270635  0.00576825
   0.41608510  0.57441472  0.36239765
   0.08258253  0.90477409  0.15031282
   0.34566217  0.81990468  0.24950591
   0.16999370  0.66701317  0.48470305
   0.36469278  0.62354430  0.86818304
   0.05045829  0.91291940  0.59701613
   0.29586286  0.97573792  0.70251244
   0.63041933  0.15164148  1.00407371
   0.88337065  0.13323706  0.37654855
   0.61520510  0.42933082  0.10461791
   0.89047872  0.30389213  0.19210388
   0.62761028  0.16424273  0.49128558
   0.88103923  0.11618631  0.88157161
   0.59235859  0.43633231  0.60975476
   0.75464358  0.35668945  0.80145374
   0.61656752  0.68779364 -0.01336722
   0.91672455  0.61674094  0.38152519
   0.57825898  0.91397137  0.12856795
   0.82714966  0.86976326  0.25514921
   0.65958774  0.64872503  0.46673810
   0.88544193  0.61597822  0.88111063
   0.59497195  0.93970828  0.63642238
   0.83731452  0.85461109  0.75567873
   0.10872146  0.06568054  0.16712263
   0.35520178  0.17527305  0.28540967
   0.10159387  0.30777817  0.03752170
   0.35288614  0.42532492  0.34300346
   0.52932152  0.38640838  0.20111471
   0.29649035  0.36807568  0.16111471
   0.28155111  0.09222304  0.46107810
   0.04291622  0.16487359  0.38400947
   0.05461554  0.08106891  0.56788304
   0.42890280  0.23608199  0.77203953
   0.16768316  0.31860486  0.52144071
   0.35932356  0.45782220  0.84362040
   0.45238123  0.46530316  0.66808473
   0.21359289  0.38705713  0.69854418
   0.30875500  0.19591888 -0.06266817
   0.04136752  0.15036452  0.88852694
   0.11698569  0.56429464  0.09714037
   0.39173827  0.66188169  0.27063055
   0.12182219  0.82257477  0.04895643
   0.34616785  0.90697250  0.34684465
   0.42827305  0.87258662  0.15587040
   0.18383331  0.82341761  0.22744938
   0.32092789  0.65371216  0.45042765
   0.07097019  0.63040385  0.39237277
   0.15288537  0.58704433  0.58208314
   0.30292146  0.70429518  0.77070648
   0.12398440  0.83949638  0.50966641
   0.34653526  0.98385523  0.81077183
   0.42965443  0.91996499  0.64117071
   0.16376199  0.88138774  0.68875711
   0.29420190  0.64275011 -0.03015077
   0.04074626  0.62426343  0.91220671
   0.60245670  0.08411118  0.11439697
   0.82877718  0.22203916  0.27924973
   0.59261588  0.30985228  0.02240796
   0.87006168  0.45786974  0.35873000
   0.03368016  0.38086092  0.20889536
   0.77016892  0.40652014  0.13791815
   0.78362589  0.16448214  0.45836117
   0.53306224  0.09539971  0.40632025
   0.62615618  0.08061414  0.59145802
   0.80469044  0.19634736  0.78333336
   0.57207196  0.31933195  0.52527853
   0.86253291  0.45760565  0.85529778
   0.96488638  0.42716882  0.62867895
   0.71827386  0.39612261  0.67998546
   0.78855500  0.15518907  0.97692763
   0.54259242  0.07735171  0.91783064
   0.57075255  0.57823079  0.06690616
   0.86181754  0.71459370  0.29151640
   0.60410266  0.84709449  0.02233891
   0.84784090  0.97427072  0.34536475
   0.92341530  0.90331839  0.16822033
   0.67003054  0.86873076  0.22107244
   0.82566282  0.64660842  0.47477430
   0.58493778  0.56159448  0.37935824
   0.59961961  0.58377754  0.56476159
   0.85058124  0.69806465  0.78419620
   0.62029015  0.81488549  0.44604017
   0.89013022  0.95208360  0.84761699
   0.90881380  0.89577316  0.65191849
   0.67795224  0.89217481  0.74360796
   0.76924769  0.66971982  0.95665254
   0.52052321  0.66392871  0.88924503
   0.63409611  0.80022802  0.58593631
   0.63050248  0.84992812  0.36907516
   0.93445898  0.21308335  0.11484049
   0.77119004  0.43628775  0.34680229
   0.28504240  0.11351132  0.66805546
   0.23583152  0.77310733  0.77677408
   0.02466861  1.12945411  0.16613921
   0.16632243  1.04330051  0.01972795
   0.62277106  0.35582809  0.85403259
   0.91577147  0.34804221  0.59173309
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924379    0.223119   -0.206762
    -0.000000    9.776196    0.025900
    -0.000000    0.000000   13.857071
   Si   O    H 
    32    64    10
Direct configuration=   637
   0.15642316  0.17279856 -0.02966388
   0.38138085  0.06710865  0.37346709
   0.14150099  0.40285181  0.12299632
   0.39237185  0.32338108  0.25249656
   0.13606473  0.16246624  0.48515989
   0.41035947  0.12494449  0.85819685
   0.11783606  0.43232155  0.60840761
   0.36153548  0.38308416  0.74083639
   0.14338820  0.66431455  0.00620982
   0.41633232  0.57369536  0.36411603
   0.08173052  0.90460618  0.15160052
   0.34629338  0.81984610  0.24916761
   0.17023718  0.66612939  0.48475420
   0.36357001  0.62378671  0.86845913
   0.05043530  0.91388485  0.59650768
   0.29550695  0.97573042  0.70092733
   0.63002525  0.15337361  1.00410789
   0.88399813  0.13364704  0.37629983
   0.61594187  0.43011578  0.10403594
   0.88969601  0.30307695  0.19174451
   0.62811082  0.16392103  0.49160133
   0.88116266  0.11608787  0.88238703
   0.59243550  0.43471287  0.60951281
   0.75458733  0.35630224  0.79992972
   0.61660979  0.68835873 -0.01336804
   0.91535046  0.61876634  0.38176036
   0.57816543  0.91307749  0.12877373
   0.82596765  0.86937397  0.25428909
   0.65832130  0.64916118  0.46650624
   0.88604641  0.61546113  0.88156275
   0.59521185  0.93937304  0.63643910
   0.83695239  0.85564149  0.75527591
   0.10911290  0.06570514  0.16763187
   0.35644862  0.17524812  0.28562863
   0.10140455  0.30718805  0.03706233
   0.35234476  0.42418621  0.34300219
   0.52941604  0.38644392  0.20002736
   0.29421928  0.36724403  0.16023389
   0.27956400  0.09209198  0.46241850
   0.04154096  0.16596668  0.38468078
   0.05260659  0.08197213  0.56793758
   0.42926455  0.23677060  0.77137813
   0.16610023  0.31809116  0.52048152
   0.35944278  0.45710395  0.84505470
   0.45267564  0.46716770  0.66774193
   0.21179411  0.38819834  0.69926496
   0.30898341  0.19631393 -0.06261441
   0.04332677  0.14915479  0.88769517
   0.11975017  0.56276599  0.09754766
   0.39203200  0.66239473  0.26987976
   0.12282032  0.82477196  0.04834345
   0.34449908  0.90662542  0.34827505
   0.42936526  0.87352526  0.15688177
   0.18181733  0.82294166  0.22860994
   0.32198378  0.65343406  0.45034490
   0.07068297  0.62998624  0.39269926
   0.15471818  0.58690797  0.58224600
   0.30456676  0.70201055  0.77199974
   0.12372541  0.83851956  0.50984963
   0.34632962  0.98195871  0.81073011
   0.42948480  0.91966757  0.64027070
   0.16467742  0.88197892  0.68797406
   0.29401150  0.64281053 -0.02911484
   0.04122019  0.62299360  0.91303981
   0.60179508  0.08243688  0.11488195
   0.82819771  0.22234034  0.27986260
   0.59247459  0.30963972  0.02274994
   0.86836336  0.45713439  0.35959213
   0.03258762  0.38109329  0.20839985
   0.76954913  0.40567079  0.13784300
   0.78331413  0.16343885  0.45729278
   0.53331407  0.09377771  0.40734554
   0.62685372  0.08160737  0.59139657
   0.80644500  0.19525660  0.78426117
   0.57046458  0.31925638  0.52741906
   0.86310165  0.45715594  0.85504748
   0.96539624  0.42892133  0.62939153
   0.71733087  0.39484285  0.68084296
   0.78872848  0.15386099  0.97562928
   0.54287407  0.07617268  0.91777774
   0.56886166  0.57811190  0.06635097
   0.86240528  0.71576220  0.29221589
   0.60206191  0.84709436  0.02262934
   0.84770538  0.97433643  0.34658189
   0.92413888  0.90380460  0.16712991
   0.67086827  0.86893790  0.22125100
   0.82348573  0.64617642  0.47614356
   0.58444001  0.56090255  0.37971012
   0.59835361  0.58338462  0.56517144
   0.84909304  0.69828661  0.78443390
   0.62120640  0.81616962  0.44564137
   0.89123003  0.95457370  0.84870150
   0.90678232  0.89471199  0.65110359
   0.67750998  0.89365469  0.74298038
   0.76787219  0.66683660  0.95697168
   0.51931922  0.66348687  0.88868889
   0.62990509  0.79994688  0.59117781
   0.63229604  0.85154774  0.37064686
   0.92587677  0.21279455  0.11410281
   0.77773672  0.43541105  0.34446146
   0.28487433  0.12240780  0.66669406
   0.23137363  0.76814847  0.77377630
   0.03092724  1.12789146  0.16571974
   0.17304403  1.04112346  0.01408032
   0.62590234  0.35509907  0.84945513
   0.91975589  0.34388287  0.58874711
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924804    0.225053   -0.208962
    -0.000000    9.774226    0.028090
    -0.000000    0.000000   13.857028
   Si   O    H 
    32    64    10
Direct configuration=   638
   0.15679370  0.17355991 -0.02993938
   0.38213749  0.06860701  0.37289763
   0.14183463  0.40276746  0.12169174
   0.39157755  0.32228422  0.25280677
   0.13484098  0.16174803  0.48526186
   0.40939354  0.12589277  0.85803132
   0.11639478  0.43184101  0.60826126
   0.36219193  0.38364977  0.74035196
   0.14322798  0.66542846  0.00663000
   0.41642178  0.57313960  0.36584172
   0.08107156  0.90424986  0.15263370
   0.34737389  0.82000364  0.24928132
   0.17052275  0.66533036  0.48451902
   0.36246468  0.62444121  0.86855220
   0.05028595  0.91532637  0.59612117
   0.29519275  0.97562579  0.69906373
   0.63002040  0.15493372  1.00458048
   0.88433485  0.13403001  0.37562624
   0.61654167  0.43009153  0.10354742
   0.88849947  0.30275201  0.19085744
   0.62860921  0.16358163  0.49227308
   0.88175848  0.11607213  0.88323895
   0.59195635  0.43321929  0.60924846
   0.75479973  0.35513520  0.79851802
   0.61649100  0.68845716 -0.01320347
   0.91369045  0.62063331  0.38204674
   0.57795786  0.91202486  0.12920047
   0.82556035  0.86880407  0.25364276
   0.65747016  0.64926894  0.46626797
   0.88580140  0.61490338  0.88182828
   0.59549493  0.93842519  0.63654239
   0.83702107  0.85663525  0.75477618
   0.10995293  0.06580941  0.16742329
   0.35741691  0.17516784  0.28597296
   0.10098606  0.30682997  0.03661654
   0.35188261  0.42239731  0.34241116
   0.52981117  0.38579349  0.19980921
   0.29183390  0.36590583  0.15935068
   0.27853576  0.09154885  0.46345404
   0.04118860  0.16790658  0.38573277
   0.05045142  0.08193007  0.56756564
   0.43021757  0.23744005  0.77078619
   0.16464744  0.31772646  0.51988171
   0.35927802  0.45690927  0.84670435
   0.45263893  0.46931580  0.66747297
   0.21013154  0.38989919  0.70022908
   0.30967694  0.19605164 -0.06236972
   0.04494770  0.14876563  0.88737769
   0.12190643  0.56155190  0.09787122
   0.39235913  0.66341065  0.26908654
   0.12378321  0.82726653  0.04686820
   0.34306845  0.90677371  0.34962855
   0.43024428  0.87469951  0.15760387
   0.18000266  0.82167624  0.22925343
   0.32283886  0.65273318  0.45023992
   0.07026311  0.62984717  0.39364230
   0.15673702  0.58620005  0.58362007
   0.30611933  0.69991430  0.77379088
   0.12368412  0.83725904  0.50948434
   0.34654418  0.98090616  0.81065929
   0.42896998  0.91946951  0.63957762
   0.16421972  0.88222105  0.68746869
   0.29376819  0.64318648 -0.02799498
   0.04212500  0.62223271  0.91427244
   0.60087959  0.08025560  0.11478785
   0.82799195  0.22251030  0.28009332
   0.59272153  0.31035819  0.02267331
   0.86768521  0.45701558  0.35984801
   0.03164627  0.38165128  0.20799844
   0.76933954  0.40485965  0.13814181
   0.78294954  0.16239247  0.45622084
   0.53412751  0.09275272  0.40842228
   0.62759884  0.08299713  0.59124730
   0.80883320  0.19459918  0.78507354
   0.56905838  0.31908020  0.52943234
   0.86339382  0.45705569  0.85449208
   0.96549858  0.42938481  0.62994638
   0.71721016  0.39378253  0.68091207
   0.78905724  0.15264901  0.97408666
   0.54354278  0.07528832  0.91781209
   0.56599176  0.57863500  0.06594205
   0.86343904  0.71739558  0.29263936
   0.60007375  0.84675075  0.02285246
   0.84757181  0.97417395  0.34741326
   0.92513973  0.90437419  0.16674790
   0.67123132  0.86941201  0.22114683
   0.82146375  0.64518525  0.47776649
   0.58454425  0.56033009  0.38003988
   0.59710324  0.58321084  0.56544431
   0.84808058  0.69875175  0.78502664
   0.62179993  0.81752998  0.44459561
   0.89251307  0.95628987  0.85006857
   0.90431868  0.89408435  0.65095165
   0.67677495  0.89532494  0.74200938
   0.76751644  0.66358029  0.95711653
   0.51791324  0.66306258  0.88837144
   0.62246258  0.80436185  0.59451935
   0.63319935  0.85021847  0.38001678
   0.91593457  0.20921489  0.11423489
   0.77470386  0.43529821  0.34445769
   0.28361021  0.12794810  0.66584379
   0.22633108  0.76881789  0.77203656
   0.03625550  1.12831235  0.16229796
   0.18214937  1.03731975  0.00822705
   0.62772035  0.35677052  0.84500065
   0.92975000  0.35166882  0.59325025
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925543    0.227377   -0.210934
    -0.000000    9.772322    0.029861
    -0.000000    0.000000   13.856733
   Si   O    H 
    32    64    10
Direct configuration=   639
   0.15664159  0.17422392 -0.03037808
   0.38249324  0.06975425  0.37295380
   0.14223859  0.40274235  0.12092098
   0.39141984  0.32223144  0.25290821
   0.13387567  0.16085003  0.48571004
   0.40840405  0.12662918  0.85782963
   0.11600019  0.43086585  0.60835991
   0.36281000  0.38469398  0.74023437
   0.14287402  0.66688132  0.00736391
   0.41667265  0.57276028  0.36782710
   0.08078418  0.90383742  0.15343161
   0.34796274  0.82002985  0.24956833
   0.17107407  0.66494754  0.48452072
   0.36180917  0.62435689  0.86820699
   0.04968479  0.91648306  0.59635421
   0.29505434  0.97620249  0.69822626
   0.62968019  0.15561570  1.00528896
   0.88421391  0.13435321  0.37478059
   0.61668279  0.42907993  0.10335106
   0.88782487  0.30279625  0.18984613
   0.62865741  0.16415784  0.49298612
   0.88213949  0.11539239  0.88359924
   0.59141260  0.43211229  0.60899175
   0.75469833  0.35449587  0.79725380
   0.61635211  0.68804507 -0.01333139
   0.91196755  0.62238377  0.38212374
   0.57739681  0.91176270  0.12921302
   0.82506265  0.86865554  0.25328664
   0.65662061  0.64955811  0.46615673
   0.88609796  0.61438002  0.88209145
   0.59541837  0.93633088  0.63704970
   0.83712935  0.85775290  0.75462014
   0.11071498  0.06641029  0.16695081
   0.35865608  0.17445149  0.28669830
   0.10082434  0.30621408  0.03610318
   0.35165624  0.42188590  0.34188631
   0.52977665  0.38457495  0.19993612
   0.29002049  0.36446681  0.15953334
   0.27776558  0.09100174  0.46442838
   0.04118515  0.16928791  0.38695515
   0.04848151  0.08229014  0.56721663
   0.43061242  0.23840469  0.77043751
   0.16319067  0.31817558  0.51915917
   0.35901692  0.45677530  0.84835704
   0.45313484  0.47136945  0.66710364
   0.20845747  0.39049167  0.70161327
   0.31059852  0.19639561 -0.06215191
   0.04658499  0.14811599  0.88691470
   0.12374128  0.56047999  0.09792724
   0.39267912  0.66427897  0.26816435
   0.12316921  0.82948929  0.04567794
   0.34254286  0.90794710  0.35086667
   0.43086774  0.87591999  0.15807265
   0.17885312  0.82113292  0.23030221
   0.32390706  0.65209359  0.44971738
   0.07021903  0.62961260  0.39478602
   0.15815073  0.58457474  0.58565722
   0.30714354  0.69784207  0.77520760
   0.12351067  0.83524631  0.50910000
   0.34729806  0.98022485  0.81064309
   0.42889347  0.91881795  0.63929915
   0.16384872  0.88268289  0.68675839
   0.29383948  0.64287569 -0.02726497
   0.04273984  0.62230968  0.91593261
   0.60083391  0.07747198  0.11381367
   0.82851364  0.22272343  0.28007886
   0.59278016  0.31143336  0.02168505
   0.86750558  0.45706167  0.35983054
   0.03119000  0.38179379  0.20814817
   0.76913801  0.40462330  0.13868313
   0.78217460  0.16191301  0.45553791
   0.53546282  0.09244723  0.40937934
   0.62870414  0.08455246  0.59163152
   0.81116290  0.19403735  0.78614727
   0.56779210  0.31834618  0.53082609
   0.86351754  0.45698697  0.85342871
   0.96477789  0.42985132  0.63084326
   0.71776542  0.39230678  0.68122478
   0.78965289  0.15064949  0.97319701
   0.54455643  0.07469166  0.91808432
   0.56293596  0.57980540  0.06502940
   0.86429592  0.71877376  0.29320469
   0.59800404  0.84687773  0.02303712
   0.84776325  0.97386548  0.34776975
   0.92511892  0.90449990  0.16641767
   0.67134130  0.86975356  0.22122394
   0.81965054  0.64408733  0.47904901
   0.58459826  0.55983918  0.38032254
   0.59556681  0.58398527  0.56498434
   0.84744937  0.69923241  0.78541671
   0.62218736  0.81827402  0.44379838
   0.89380798  0.95795204  0.85099539
   0.90291481  0.89374364  0.65024766
   0.67697725  0.89837905  0.74185551
   0.76817338  0.65970813  0.95704253
   0.51632892  0.66264015  0.88797852
   0.61532370  0.81131713  0.59614922
   0.63354204  0.85177602  0.38340315
   0.90538180  0.20165746  0.11074304
   0.77162256  0.43961853  0.34440282
   0.27885158  0.12976221  0.66455679
   0.23172384  0.76127805  0.77012110
   0.03629459  1.13576185  0.15822258
   0.18971094  1.03603287  0.00481708
   0.62873956  0.35925519  0.84162749
   0.93906235  0.36396008  0.59986359
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926319    0.229159   -0.212025
    -0.000000    9.770746    0.032283
    -0.000000    0.000000   13.856768
   Si   O    H 
    32    64    10
Direct configuration=   640
   0.15666928  0.17422366 -0.03053387
   0.38217374  0.07073327  0.37303226
   0.14237813  0.40268472  0.12077889
   0.39136800  0.32260945  0.25294959
   0.13279964  0.16015123  0.48615360
   0.40767691  0.12774266  0.85795277
   0.11648691  0.42969078  0.60865233
   0.36374315  0.38632582  0.74041852
   0.14239522  0.66891413  0.00792240
   0.41675533  0.57224538  0.36916797
   0.08053538  0.90280013  0.15431183
   0.34740849  0.81997244  0.25008430
   0.17164529  0.66524132  0.48467304
   0.36111081  0.62381734  0.86808592
   0.04860378  0.91765107  0.59626883
   0.29495675  0.97711776  0.69761045
   0.62933763  0.15601845  1.00601370
   0.88475975  0.13468203  0.37355942
   0.61678030  0.42803175  0.10338316
   0.88716299  0.30390030  0.18906925
   0.62863871  0.16502878  0.49358919
   0.88240149  0.11436596  0.88412991
   0.59081264  0.43102453  0.60883401
   0.75446931  0.35405995  0.79612675
   0.61542985  0.68812823 -0.01336083
   0.90995374  0.62392786  0.38207638
   0.57659565  0.91126136  0.12931597
   0.82495952  0.86810405  0.25263537
   0.65535442  0.65050381  0.46629943
   0.88645565  0.61305578  0.88230839
   0.59486808  0.93424746  0.63793187
   0.83682054  0.85865972  0.75433036
   0.11102413  0.06659591  0.16594447
   0.35960067  0.17371662  0.28749370
   0.10141174  0.30493314  0.03503193
   0.35160029  0.42200119  0.34158141
   0.53025542  0.38376742  0.20067583
   0.28912025  0.36382355  0.16006763
   0.27724396  0.09054774  0.46534984
   0.04093012  0.17009621  0.38877275
   0.04684599  0.08265578  0.56668438
   0.43107365  0.23817344  0.77009644
   0.16199523  0.31828889  0.51871495
   0.35902933  0.45701045  0.84957060
   0.45375454  0.47350918  0.66685920
   0.20607632  0.39035862  0.70304377
   0.31161304  0.19678574 -0.06222341
   0.04770245  0.14818776  0.88647260
   0.12536071  0.55972161  0.09784098
   0.39365080  0.66499362  0.26734614
   0.12186582  0.83016937  0.04526658
   0.34265381  0.90879411  0.35176949
   0.43119559  0.87707185  0.15920839
   0.17827932  0.82025313  0.23139427
   0.32530006  0.65110990  0.44967351
   0.06998640  0.62872256  0.39578854
   0.15993077  0.58342105  0.58781069
   0.30810322  0.69682984  0.77718517
   0.12309373  0.83268362  0.50904244
   0.34775139  0.97927055  0.81116852
   0.42860171  0.91781990  0.63856917
   0.16391877  0.88339687  0.68600741
   0.29427258  0.64337324 -0.02699183
   0.04360182  0.62277592  0.91784939
   0.60051963  0.07592858  0.11278407
   0.82972456  0.22170732  0.28006611
   0.59264205  0.31285437  0.02089932
   0.86724433  0.45735244  0.35975368
   0.03056504  0.38240699  0.20873067
   0.76973505  0.40422862  0.13894405
   0.78084140  0.16181630  0.45530312
   0.53747479  0.09090370  0.40999197
   0.62878275  0.08573832  0.59282430
   0.81349109  0.19382216  0.78722666
   0.56704362  0.31713586  0.53177565
   0.86275876  0.45685107  0.85222465
   0.96551944  0.43188289  0.63162464
   0.71810263  0.39116900  0.68134747
   0.78948765  0.14861634  0.97264514
   0.54542248  0.07425609  0.91798204
   0.56031320  0.58104114  0.06424117
   0.86550805  0.71968063  0.29409356
   0.59652907  0.84659757  0.02304460
   0.84783255  0.97328590  0.34825827
   0.92372817  0.90477419  0.16654414
   0.67216117  0.86985230  0.22144411
   0.81845770  0.64302966  0.47995592
   0.58442864  0.55998577  0.38076671
   0.59514480  0.58581779  0.56405354
   0.84765060  0.69888680  0.78534986
   0.62106322  0.81920546  0.44413315
   0.89475312  0.95904646  0.85154772
   0.90148127  0.89367393  0.64997621
   0.67713894  0.90196015  0.74148859
   0.76898355  0.65632316  0.95717336
   0.51600319  0.66244284  0.88789883
   0.61228815  0.81223788  0.59458019
   0.63486373  0.85850274  0.37346450
   0.89980191  0.19630935  0.11111029
   0.76657585  0.44610023  0.34383808
   0.27291440  0.12351356  0.66743210
   0.23484709  0.75508000  0.76711299
   0.03982179  1.13538334  0.15320890
   0.19506225  1.03602017  0.00393339
   0.62612992  0.36458800  0.84040248
   0.92555194  0.34653720  0.59006001
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926926    0.230269   -0.212771
    -0.000000    9.769202    0.034846
    -0.000000    0.000000   13.856628
   Si   O    H 
    32    64    10
Direct configuration=   641
   0.15681199  0.17409254 -0.03090314
   0.38072221  0.07140732  0.37344728
   0.14244460  0.40250412  0.12093643
   0.39108624  0.32287239  0.25286454
   0.13257437  0.15946265  0.48697888
   0.40690401  0.12817417  0.85788164
   0.11662978  0.42861821  0.60888719
   0.36503942  0.38859547  0.74097826
   0.14241456  0.67078037  0.00871789
   0.41640884  0.57194498  0.36980142
   0.08053138  0.90180385  0.15522042
   0.34684238  0.81974846  0.25080249
   0.17179567  0.66599044  0.48518144
   0.36037798  0.62263571  0.86820099
   0.04816672  0.91841749  0.59661125
   0.29482967  0.97816057  0.69704518
   0.62874836  0.15589012  1.00659958
   0.88527162  0.13494321  0.37259054
   0.61628236  0.42731811  0.10339554
   0.88666079  0.30483677  0.18814530
   0.62820553  0.16576654  0.49418772
   0.88284723  0.11350581  0.88428568
   0.59008708  0.43035066  0.60876735
   0.75478093  0.35358482  0.79459185
   0.61409351  0.68845446 -0.01427317
   0.90891124  0.62430946  0.38215328
   0.57600038  0.91137860  0.12966953
   0.82526213  0.86723733  0.25229589
   0.65416879  0.65113257  0.46622100
   0.88695513  0.61146776  0.88254780
   0.59356976  0.93240139  0.63872262
   0.83627865  0.85970015  0.75412660
   0.11205212  0.06709075  0.16521083
   0.36064405  0.17355590  0.28788252
   0.10146355  0.30411754  0.03405424
   0.35252519  0.42173876  0.34136056
   0.53052876  0.38309896  0.20093096
   0.28855431  0.36310659  0.16067644
   0.27708186  0.09051465  0.46626364
   0.04035497  0.17075285  0.39048779
   0.04492725  0.08229715  0.56605432
   0.43173988  0.23811519  0.76940814
   0.16018589  0.31851802  0.51851246
   0.35903475  0.45718087  0.85039564
   0.45348155  0.47475513  0.66671169
   0.20470382  0.38973414  0.70462912
   0.31166606  0.19756001 -0.06251836
   0.04832091  0.14826133  0.88608014
   0.12674816  0.55916564  0.09652949
   0.39451340  0.66646256  0.26704825
   0.12047031  0.82979612  0.04472983
   0.34351564  0.90991078  0.35233604
   0.43075804  0.87770916  0.16027319
   0.17740950  0.82009649  0.23274449
   0.32629866  0.64979671  0.44960104
   0.06997956  0.62723599  0.39686470
   0.16119307  0.58319437  0.58989574
   0.30931249  0.69584523  0.77814595
   0.12227591  0.82917780  0.50957277
   0.34875258  0.97888196  0.81197850
   0.42813034  0.91684211  0.63772364
   0.16404705  0.88428456  0.68525948
   0.29406923  0.64351710 -0.02632412
   0.04354015  0.62386313  0.92000849
   0.60055570  0.07360014  0.11215502
   0.83100885  0.22107005  0.28017544
   0.59230622  0.31422024  0.02039382
   0.86742227  0.45698405  0.35947527
   0.02947743  0.38349759  0.20917218
   0.77062709  0.40438875  0.13945660
   0.77976056  0.16240558  0.45555185
   0.53882845  0.08989338  0.41039088
   0.62915369  0.08670765  0.59424589
   0.81611977  0.19384568  0.78862500
   0.56666592  0.31511395  0.53218053
   0.86231077  0.45678690  0.85078453
   0.96561117  0.43257693  0.63169964
   0.71799959  0.39002411  0.68120910
   0.78925860  0.14757091  0.97274722
   0.54562744  0.07415562  0.91784679
   0.55815869  0.58168880  0.06406558
   0.86604159  0.72048897  0.29459361
   0.59493673  0.84590387  0.02312807
   0.84883265  0.97179769  0.34832608
   0.92186153  0.90517717  0.16626017
   0.67227629  0.86967229  0.22191336
   0.81804632  0.64163785  0.48003837
   0.58373139  0.56104615  0.38124138
   0.59486363  0.58853658  0.56311775
   0.84769588  0.69859940  0.78509546
   0.61962384  0.81986268  0.44413157
   0.89484383  0.95900121  0.85203024
   0.90086476  0.89347088  0.64992036
   0.67777358  0.90531783  0.74066494
   0.77063714  0.65266920  0.95703718
   0.51632581  0.66196718  0.88785881
   0.61207727  0.80777464  0.59062087
   0.63283576  0.85827049  0.36767472
   0.89959006  0.19439787  0.11364343
   0.77041982  0.45308814  0.34213856
   0.26659522  0.11859904  0.66996977
   0.22777933  0.75692218  0.76388806
   0.04094625  1.13460398  0.14846777
   0.19203750  1.03750561  0.00332982
   0.62069667  0.36966759  0.84021588
   0.91545514  0.34513725  0.58711743
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927673    0.231054   -0.213492
    -0.000000    9.767333    0.037284
    -0.000000    0.000000   13.856496
   Si   O    H 
    32    64    10
Direct configuration=   642
   0.15649439  0.17365134 -0.03157064
   0.37935874  0.07124140  0.37407044
   0.14206290  0.40212486  0.12164843
   0.39096933  0.32351895  0.25268933
   0.13331981  0.15904604  0.48757989
   0.40585982  0.12877246  0.85818098
   0.11740081  0.42739251  0.60860006
   0.36609863  0.39075685  0.74223503
   0.14240668  0.67231901  0.00988550
   0.41579225  0.57110239  0.36996672
   0.08041063  0.90113073  0.15550488
   0.34591798  0.81906291  0.25132669
   0.17212282  0.66678493  0.48623535
   0.35995819  0.62180343  0.86893809
   0.04802606  0.91912936  0.59721736
   0.29487006  0.97902358  0.69628064
   0.62823047  0.15570793  1.00734001
   0.88545425  0.13505356  0.37153183
   0.61587760  0.42720829  0.10370855
   0.88602124  0.30594844  0.18715340
   0.62741823  0.16609924  0.49527104
   0.88304833  0.11307339  0.88442925
   0.58936725  0.42996052  0.60903486
   0.75479620  0.35368535  0.79316858
   0.61308675  0.68886874 -0.01505058
   0.90850526  0.62419390  0.38225523
   0.57560424  0.91170403  0.12957689
   0.82627429  0.86632785  0.25209832
   0.65344743  0.65230870  0.46592230
   0.88700229  0.61024361  0.88271195
   0.59240859  0.93070786  0.63969780
   0.83682524  0.85990122  0.75393400
   0.11284272  0.06833651  0.16442031
   0.36202177  0.17249013  0.28858676
   0.10105887  0.30311480  0.03315540
   0.35377537  0.42237733  0.34145438
   0.53086458  0.38211366  0.20137134
   0.28803408  0.36149769  0.16098054
   0.27679088  0.08979657  0.46683990
   0.03967631  0.17104030  0.39238202
   0.04223549  0.08189148  0.56498367
   0.43248385  0.23785244  0.76840308
   0.15907302  0.31902430  0.51892915
   0.35911095  0.45774244  0.85036501
   0.45369221  0.47544870  0.66647774
   0.20397703  0.38840918  0.70591571
   0.31127675  0.19892767 -0.06341587
   0.04730848  0.14721760  0.88524721
   0.12812715  0.55942960  0.09492754
   0.39487490  0.66699645  0.26731524
   0.11887115  0.82943323  0.04450907
   0.34485555  0.91061406  0.35237186
   0.42944115  0.87818864  0.16182352
   0.17699564  0.82074708  0.23387855
   0.32684152  0.64854951  0.44996661
   0.06986130  0.62536264  0.39778853
   0.16198210  0.58327964  0.59227866
   0.30975610  0.69515261  0.77820965
   0.12080598  0.82658867  0.51055107
   0.34981101  0.97907869  0.81221566
   0.42733053  0.91607476  0.63696844
   0.16372157  0.88515415  0.68417223
   0.29324453  0.64373502 -0.02617746
   0.04285438  0.62575784  0.92187686
   0.59989626  0.07222769  0.11109856
   0.83236224  0.22090578  0.28004840
   0.59168108  0.31634339  0.01981690
   0.86788944  0.45678433  0.35957661
   0.02855945  0.38447912  0.20952320
   0.77132594  0.40550068  0.14040147
   0.77832222  0.16355629  0.45583928
   0.54058107  0.08940081  0.41110618
   0.62945316  0.08651332  0.59552033
   0.81891247  0.19384949  0.78931534
   0.56639583  0.31294764  0.53139244
   0.86187676  0.45701222  0.84893455
   0.96456122  0.43179804  0.63117290
   0.71768343  0.38887941  0.68126316
   0.78822252  0.14615574  0.97300811
   0.54598647  0.07490011  0.91787571
   0.55646448  0.58154265  0.06406405
   0.86643654  0.72055782  0.29512921
   0.59449200  0.84486489  0.02330078
   0.85103246  0.97070374  0.34790566
   0.92044124  0.90520483  0.16587375
   0.67214053  0.86854693  0.22222131
   0.81776594  0.63971237  0.48012354
   0.58320735  0.56162671  0.38172732
   0.59496918  0.59088892  0.56159736
   0.84862843  0.69870462  0.78501274
   0.61923033  0.82042651  0.44355484
   0.89456223  0.95757452  0.85199188
   0.90056900  0.89400619  0.64957060
   0.67815242  0.90813788  0.73986269
   0.77290996  0.64947724  0.95787662
   0.51679991  0.66168305  0.88810520
   0.61588182  0.80198251  0.58548373
   0.62998250  0.85433119  0.37144966
   0.89964738  0.19373826  0.11596639
   0.77158624  0.45805815  0.33942658
   0.26089907  0.11830439  0.67148343
   0.22650429  0.75537585  0.76009208
   0.04057448  1.13358733  0.14339698
   0.18607284  1.03662169  0.00309825
   0.61663968  0.36929598  0.84053201
   0.91069265  0.35531164  0.59149125
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927965    0.231830   -0.213932
    -0.000000    9.765359    0.039710
    -0.000000    0.000000   13.856199
   Si   O    H 
    32    64    10
Direct configuration=   643
   0.15562416  0.17295459 -0.03237556
   0.37806614  0.07123429  0.37459993
   0.14178993  0.40206399  0.12230604
   0.39116151  0.32513749  0.25235101
   0.13404238  0.15915440  0.48800209
   0.40446577  0.12892510  0.85844683
   0.11851713  0.42621309  0.60827558
   0.36683248  0.39256729  0.74350389
   0.14221794  0.67372575  0.01094199
   0.41509371  0.57092817  0.36967291
   0.08070173  0.90056862  0.15527808
   0.34433258  0.81814738  0.25211182
   0.17230709  0.66794220  0.48763276
   0.35955613  0.62100401  0.86967327
   0.04708147  0.92046125  0.59771236
   0.29560103  0.97967868  0.69615521
   0.62761369  0.15548309  1.00803216
   0.88540264  0.13483390  0.37046948
   0.61461731  0.42735730  0.10407210
   0.88549876  0.30693944  0.18611845
   0.62655007  0.16637912  0.49643748
   0.88332722  0.11307722  0.88421192
   0.58896095  0.42986332  0.60896066
   0.75455227  0.35357777  0.79202945
   0.61211816  0.68965118 -0.01619340
   0.90833277  0.62356425  0.38267590
   0.57497432  0.91200804  0.12927562
   0.82711579  0.86525887  0.25215763
   0.65262612  0.65425151  0.46553485
   0.88665962  0.60915855  0.88280875
   0.59174683  0.92959911  0.64092531
   0.83779990  0.86027361  0.75411254
   0.11333182  0.06856640  0.16426526
   0.36274338  0.17222901  0.28861389
   0.10038870  0.30149735  0.03258951
   0.35468735  0.42263922  0.34117782
   0.53141737  0.38058632  0.20168126
   0.28774916  0.35929855  0.16105657
   0.27740324  0.08934196  0.46772382
   0.03879823  0.17134576  0.39345382
   0.03954839  0.08176079  0.56384743
   0.43326348  0.23713901  0.76773613
   0.15725069  0.31882463  0.51919308
   0.35945819  0.45762519  0.85019023
   0.45440189  0.47556546  0.66609280
   0.20329897  0.38762284  0.70752446
   0.31113505  0.19971319 -0.06446185
   0.04605012  0.14740322  0.88449194
   0.12898113  0.56007558  0.09334250
   0.39557104  0.66727499  0.26743935
   0.11689648  0.82868527  0.04362906
   0.34718017  0.91144138  0.35233038
   0.42804442  0.87970755  0.16302834
   0.17641242  0.82222682  0.23499037
   0.32722003  0.64856239  0.45018314
   0.06998959  0.62364711  0.39881557
   0.16326715  0.58346783  0.59426788
   0.30969164  0.69554708  0.77728216
   0.11971913  0.82424140  0.51131188
   0.35087219  0.97980583  0.81215066
   0.42686434  0.91515694  0.63712107
   0.16386805  0.88689968  0.68292702
   0.29224550  0.64419182 -0.02600836
   0.04184028  0.62716321  0.92295801
   0.59993119  0.07123823  0.10991930
   0.83284629  0.22018934  0.27936170
   0.59146712  0.31920826  0.01988151
   0.86894335  0.45791551  0.35904010
   0.02753853  0.38534659  0.21022466
   0.77196345  0.40674722  0.14163809
   0.77703503  0.16402933  0.45637576
   0.54112643  0.08806894  0.41179902
   0.62913123  0.08585983  0.59692905
   0.82162590  0.19409978  0.78969954
   0.56582102  0.31085317  0.53042014
   0.86150651  0.45643251  0.84669548
   0.96233397  0.43021971  0.63032780
   0.71634043  0.38770717  0.68121221
   0.78686974  0.14533284  0.97373001
   0.54687312  0.07666264  0.91740322
   0.55556182  0.58080003  0.06461200
   0.86653831  0.72044951  0.29559906
   0.59322088  0.84451385  0.02391033
   0.85282281  0.96983548  0.34756016
   0.91880599  0.90486513  0.16543711
   0.67200737  0.86840030  0.22232276
   0.81679261  0.63875757  0.48003178
   0.58243806  0.56146305  0.38202758
   0.59533069  0.59273757  0.56057268
   0.84950819  0.69917310  0.78472295
   0.61909885  0.82079844  0.44291257
   0.89493215  0.95498348  0.85178065
   0.89955245  0.89453061  0.64906622
   0.67806607  0.90975289  0.73901982
   0.77395968  0.64656207  0.95866178
   0.51747324  0.66212840  0.88870430
   0.61987257  0.79722348  0.58167530
   0.62434899  0.84603046  0.38070589
   0.90283060  0.19802722  0.11722966
   0.77306413  0.46207888  0.33897619
   0.25384629  0.12171812  0.67302272
   0.23275465  0.74929735  0.75860234
   0.03730526  1.13025291  0.13853839
   0.17861488  1.03475300  0.00409277
   0.61734874  0.36708482  0.83815349
   0.90914522  0.37576422  0.60216410
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928625    0.232871   -0.214157
    -0.000000    9.763318    0.042124
    -0.000000    0.000000   13.856017
   Si   O    H 
    32    64    10
Direct configuration=   644
   0.15505316  0.17220596 -0.03286451
   0.37707171  0.07185577  0.37543486
   0.14117297  0.40154182  0.12241314
   0.39109840  0.32704543  0.25178075
   0.13439958  0.15989241  0.48818249
   0.40258522  0.12901890  0.85848102
   0.11964459  0.42525613  0.60817790
   0.36740489  0.39350882  0.74465785
   0.14192537  0.67472299  0.01210416
   0.41466104  0.57043637  0.36896168
   0.08126729  0.90040270  0.15516061
   0.34297875  0.81738286  0.25298551
   0.17237348  0.66900966  0.48910873
   0.35949070  0.62037362  0.87082830
   0.04600031  0.92140166  0.59805633
   0.29654488  0.98075269  0.69603839
   0.62716658  0.15504621  1.00878569
   0.88511587  0.13468379  0.36945117
   0.61390917  0.42822133  0.10431416
   0.88529254  0.30766319  0.18511264
   0.62576901  0.16649854  0.49736947
   0.88373816  0.11302182  0.88387161
   0.58854590  0.42980390  0.60900529
   0.75426903  0.35354074  0.79123603
   0.61081859  0.69007471 -0.01731609
   0.90821107  0.62254204  0.38335371
   0.57483185  0.91254340  0.12933056
   0.82798884  0.86491619  0.25237518
   0.65302518  0.65641396  0.46521198
   0.88588919  0.60761848  0.88241082
   0.59055167  0.92852279  0.64113419
   0.83831065  0.86057513  0.75505476
   0.11318265  0.06856147  0.16354035
   0.36293186  0.17240970  0.28782264
   0.09913754  0.30004744  0.03221543
   0.35588066  0.42304123  0.34098033
   0.53204567  0.37986021  0.20217280
   0.28739209  0.35764138  0.16096375
   0.27830814  0.08925933  0.46926741
   0.03850244  0.17139207  0.39429386
   0.03702878  0.08218515  0.56255803
   0.43428295  0.23677881  0.76719932
   0.15495654  0.31864445  0.51911352
   0.35937785  0.45766935  0.85045418
   0.45496230  0.47498501  0.66569657
   0.20296503  0.38697951  0.70896308
   0.31119923  0.20094054 -0.06541022
   0.04451525  0.14710511  0.88359431
   0.12983350  0.55970585  0.09183623
   0.39734694  0.66695724  0.26770932
   0.11460108  0.82818166  0.04349572
   0.34947163  0.91198835  0.35234642
   0.42653967  0.88080545  0.16425941
   0.17618741  0.82313047  0.23568884
   0.32704044  0.64820670  0.45045770
   0.07004281  0.62163265  0.39986755
   0.16510651  0.58462786  0.59548765
   0.30915206  0.69663284  0.77619950
   0.11871114  0.82269957  0.51149228
   0.35176975  0.98114764  0.81222411
   0.42597620  0.91447818  0.63706861
   0.16356823  0.88919859  0.68183317
   0.29132524  0.64492856 -0.02556242
   0.04046719  0.62913943  0.92349088
   0.59956673  0.07201672  0.10876863
   0.83244225  0.21907091  0.27818971
   0.59158296  0.32037780  0.01982081
   0.86938347  0.45875113  0.35850669
   0.02637875  0.38551144  0.21115551
   0.77251747  0.40889125  0.14260633
   0.77668882  0.16469714  0.45690104
   0.54201141  0.08746887  0.41229245
   0.62942587  0.08368007  0.59824511
   0.82363658  0.19482350  0.78972731
   0.56590769  0.30907061  0.52906584
   0.86139962  0.45539900  0.84509933
   0.96148091  0.42993223  0.63022400
   0.71560303  0.38679724  0.68076230
   0.78475147  0.14485423  0.97503281
   0.54747757  0.07896160  0.91731039
   0.55541986  0.57936740  0.06552817
   0.86646574  0.72029171  0.29598706
   0.59189113  0.84420417  0.02445520
   0.85498402  0.96920752  0.34688687
   0.91756484  0.90348062  0.16456319
   0.67211233  0.86797405  0.22205149
   0.81625872  0.63724347  0.47968448
   0.58165374  0.56052581  0.38242012
   0.59495525  0.59279481  0.55947043
   0.84932671  0.69854043  0.78436074
   0.61927937  0.82011860  0.44309087
   0.89469300  0.95224147  0.85142682
   0.89936041  0.89483508  0.64779185
   0.67744598  0.91140684  0.73795702
   0.77450552  0.64380810  0.96025224
   0.51802244  0.66290124  0.88976540
   0.62227870  0.79979392  0.58450766
   0.61999480  0.84421097  0.37499097
   0.90600252  0.20069475  0.11659524
   0.77651827  0.46397493  0.33879582
   0.24387149  0.12338335  0.67538815
   0.23682149  0.74333322  0.75544650
   0.03696440  1.12574871  0.13456928
   0.17136422  1.03098638  0.00758096
   0.62247675  0.36647584  0.83772994
   0.88315823  0.37261430  0.60071780
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929500    0.233671   -0.214408
    -0.000000    9.761062    0.044093
    -0.000000    0.000000   13.855268
   Si   O    H 
    32    64    10
Direct configuration=   645
   0.15512974  0.17149659 -0.03315360
   0.37659572  0.07243463  0.37620215
   0.14031448  0.40058949  0.12275455
   0.39159511  0.32886628  0.25095773
   0.13426363  0.16132486  0.48835903
   0.40154243  0.12929883  0.85816592
   0.12135545  0.42424710  0.60880156
   0.36759782  0.39488059  0.74570053
   0.14209600  0.67490798  0.01308167
   0.41398296  0.56992647  0.36795789
   0.08203551  0.90046600  0.15478036
   0.34184917  0.81700115  0.25396260
   0.17273296  0.67003931  0.49070785
   0.36010166  0.62006938  0.87150612
   0.04532751  0.92194688  0.59792940
   0.29785245  0.98130624  0.69589930
   0.62602020  0.15500930  1.00937722
   0.88419110  0.13388018  0.36875817
   0.61279101  0.42868398  0.10481935
   0.88472638  0.30813815  0.18392855
   0.62502626  0.16576677  0.49778792
   0.88395203  0.11272910  0.88349284
   0.58815160  0.43019154  0.60877668
   0.75437669  0.35295023  0.79079009
   0.60989523  0.69017230 -0.01823990
   0.90828385  0.62188551  0.38409939
   0.57505834  0.91363370  0.12937290
   0.82969149  0.86455595  0.25295844
   0.65326240  0.65887816  0.46499141
   0.88552608  0.60557000  0.88169082
   0.58994047  0.92780359  0.64089986
   0.83797970  0.86145744  0.75606826
   0.11241419  0.06868235  0.16220614
   0.36310003  0.17287863  0.28683962
   0.09876231  0.29964534  0.03185440
   0.35734949  0.42419896  0.34096946
   0.53252660  0.37879608  0.20260357
   0.28707041  0.35540626  0.16083050
   0.27910031  0.08944857  0.47066740
   0.03808404  0.17060763  0.39488324
   0.03487342  0.08181933  0.56111913
   0.43425564  0.23603531  0.76700067
   0.15330548  0.31967948  0.51916886
   0.35938661  0.45705104  0.85072315
   0.45601355  0.47463654  0.66530270
   0.20152773  0.38646842  0.71023042
   0.31049620  0.20136604 -0.06663055
   0.04330993  0.14659735  0.88273077
   0.13061762  0.55929747  0.09132330
   0.39810341  0.66610707  0.26834361
   0.11289235  0.82855389  0.04327207
   0.35244576  0.91262465  0.35229135
   0.42531683  0.88225516  0.16566966
   0.17607441  0.82395646  0.23613278
   0.32629474  0.64842550  0.45069457
   0.07009369  0.61963071  0.40075743
   0.16760685  0.58613129  0.59625184
   0.30928783  0.69753292  0.77561783
   0.11736185  0.82222757  0.51202153
   0.35267036  0.98311325  0.81204543
   0.42497996  0.91445499  0.63780149
   0.16321811  0.89105872  0.68020444
   0.29003628  0.64539074 -0.02537909
   0.03850652  0.63053329  0.92399506
   0.59893672  0.07314722  0.10752264
   0.83238647  0.21803181  0.27670461
   0.59123653  0.32105510  0.01902022
   0.87008421  0.46010870  0.35807691
   0.02493962  0.38608025  0.21154801
   0.77224049  0.41128913  0.14363576
   0.77718942  0.16474863  0.45749775
   0.54274217  0.08744113  0.41296292
   0.62991819  0.08082392  0.59965626
   0.82453915  0.19549514  0.78958381
   0.56635021  0.30821800  0.52771914
   0.86126128  0.45467744  0.84316944
   0.96021260  0.42956940  0.62987068
   0.71483870  0.38521166  0.67991694
   0.78256730  0.14381940  0.97640894
   0.54717192  0.08094523  0.91676279
   0.55538196  0.57832211  0.06604779
   0.86627553  0.71962102  0.29573119
   0.59154911  0.84304329  0.02512332
   0.85661264  0.96913254  0.34581423
   0.91616440  0.90182673  0.16350307
   0.67242813  0.86742086  0.22174258
   0.81567757  0.63617640  0.47934902
   0.58050958  0.55997794  0.38264025
   0.59371687  0.59174316  0.55883784
   0.84957930  0.69908086  0.78434837
   0.62033815  0.81892711  0.44385872
   0.89338148  0.94919665  0.85117874
   0.89898134  0.89422695  0.64625075
   0.67704906  0.91319313  0.73776050
   0.77531397  0.64147375  0.96145346
   0.51854760  0.66287001  0.89069106
   0.62713301  0.80633904  0.58916076
   0.61397837  0.84374600  0.36763503
   0.90835338  0.20028521  0.11395972
   0.77425293  0.46373219  0.33948255
   0.23701438  0.12629103  0.67815025
   0.22313276  0.74290287  0.74905411
   0.03808164  1.12014409  0.13361733
   0.16938870  1.02772198  0.01201522
   0.62926964  0.36500126  0.83801091
   0.87101617  0.37962294  0.60236448
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930554    0.233986   -0.213812
    -0.000000    9.758841    0.046243
    -0.000000    0.000000   13.854866
   Si   O    H 
    32    64    10
Direct configuration=   646
   0.15568269  0.17124252 -0.03333759
   0.37671110  0.07306839  0.37753255
   0.13896036  0.40002102  0.12370659
   0.39183606  0.33034321  0.25002602
   0.13429341  0.16280612  0.48855438
   0.40147218  0.12965358  0.85768945
   0.12298847  0.42336516  0.60948645
   0.36775713  0.39567166  0.74613307
   0.14184968  0.67479648  0.01402055
   0.41350801  0.57044549  0.36733701
   0.08278918  0.90091123  0.15439550
   0.33984907  0.81674469  0.25502772
   0.17342813  0.67072550  0.49244955
   0.36028495  0.61953926  0.87217557
   0.04462572  0.92173363  0.59801698
   0.29982095  0.98158295  0.69625595
   0.62520498  0.15457401  1.00957241
   0.88283170  0.13321196  0.36897042
   0.61238433  0.42926516  0.10561985
   0.88392649  0.30856414  0.18300682
   0.62444217  0.16492459  0.49809234
   0.88425565  0.11215441  0.88295538
   0.58791168  0.43117670  0.60804649
   0.75520862  0.35214801  0.79033621
   0.60962625  0.69010817 -0.01896992
   0.90866329  0.62089655  0.38500292
   0.57473328  0.91490320  0.12960750
   0.83024252  0.86445061  0.25409589
   0.65383431  0.66077524  0.46446458
   0.88538316  0.60439088  0.88117192
   0.58912932  0.92699454  0.64035314
   0.83804399  0.86305428  0.75688608
   0.11238102  0.06851205  0.16092202
   0.36204112  0.17364111  0.28576385
   0.09854423  0.29914343  0.03102552
   0.35868761  0.42451416  0.34108921
   0.53361260  0.37747987  0.20302320
   0.28743061  0.35429533  0.16054117
   0.27925237  0.08976692  0.47196489
   0.03657390  0.16913079  0.39500576
   0.03315022  0.08157870  0.55983233
   0.43467689  0.23528660  0.76695677
   0.15298123  0.32095401  0.51976815
   0.36035108  0.45644043  0.85056724
   0.45661649  0.47440941  0.66523355
   0.20028966  0.38537718  0.71194293
   0.30917191  0.20203545 -0.06780005
   0.04152433  0.14644532  0.88091000
   0.13163258  0.55823402  0.09116414
   0.39874278  0.66479580  0.26894847
   0.11159949  0.82979980  0.04399653
   0.35537497  0.91321736  0.35248267
   0.42391510  0.88394658  0.16659818
   0.17627701  0.82526277  0.23610223
   0.32539650  0.64896684  0.45097545
   0.07085604  0.61762771  0.40167576
   0.16987663  0.58789694  0.59648396
   0.30953319  0.69920414  0.77494074
   0.11542952  0.82246907  0.51260856
   0.35319658  0.98489030  0.81248971
   0.42413380  0.91474605  0.63825567
   0.16297589  0.89332351  0.67940294
   0.28840763  0.64625965 -0.02557394
   0.03718200  0.63166080  0.92421702
   0.59848639  0.07382164  0.10662930
   0.83286647  0.21842466  0.27477452
   0.59139806  0.32118574  0.01830535
   0.87071250  0.46174764  0.35726587
   0.02298656  0.38702886  0.21138990
   0.77177739  0.41346305  0.14424975
   0.77849396  0.16476799  0.45774976
   0.54296046  0.08747476  0.41362844
   0.63036078  0.07817827  0.60122192
   0.82533235  0.19648423  0.78942427
   0.56750620  0.30835229  0.52669797
   0.86151792  0.45359616  0.84142359
   0.95903772  0.42899951  0.62934755
   0.71286503  0.38322795  0.67890372
   0.78086310  0.14291355  0.97748038
   0.54670218  0.08305438  0.91650262
   0.55595530  0.57722643  0.06651503
   0.86590439  0.71891737  0.29536460
   0.59198761  0.84170185  0.02585802
   0.85818118  0.96947769  0.34471340
   0.91576324  0.89993974  0.16256170
   0.67277613  0.86712992  0.22120394
   0.81506119  0.63507649  0.47907319
   0.57930712  0.55862071  0.38267309
   0.59276013  0.58977714  0.55881055
   0.84940233  0.70008381  0.78402066
   0.62125178  0.81745817  0.44342574
   0.89221534  0.94598136  0.84981346
   0.89994878  0.89287663  0.64474975
   0.67679854  0.91537868  0.73713590
   0.77567329  0.63946036  0.96240089
   0.51960660  0.66198171  0.89168313
   0.63341460  0.81093161  0.59254692
   0.61058891  0.84250207  0.36786856
   0.90906948  0.20003335  0.11099954
   0.77099772  0.46017107  0.34261847
   0.23332243  0.12215415  0.68032960
   0.21631223  0.73962904  0.74378917
   0.03414311  1.11912335  0.13182683
   0.16928186  1.03062292  0.01238995
   0.63335035  0.36345253  0.84193562
   0.87554131  0.38938258  0.60819811
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931578    0.234992   -0.213506
    -0.000000    9.756639    0.048726
    -0.000000    0.000000   13.854483
   Si   O    H 
    32    64    10
Direct configuration=   647
   0.15571007  0.17061197 -0.03371879
   0.37777434  0.07365835  0.37883460
   0.13800763  0.39921504  0.12490426
   0.39171260  0.33200561  0.24901002
   0.13376123  0.16478270  0.48843209
   0.40186442  0.12950818  0.85706648
   0.12411511  0.42297898  0.61015394
   0.36787041  0.39659073  0.74624565
   0.14177746  0.67349515  0.01455095
   0.41304607  0.57104792  0.36685331
   0.08327292  0.90157363  0.15442226
   0.33807270  0.81652637  0.25607286
   0.17402227  0.67105296  0.49392258
   0.36062033  0.61982077  0.87285724
   0.04431662  0.92108861  0.59832000
   0.30077887  0.98151260  0.69637522
   0.62431118  0.15440337  1.00964080
   0.88133482  0.13284333  0.36911140
   0.61177975  0.43020349  0.10656705
   0.88398714  0.30871100  0.18249530
   0.62416446  0.16383601  0.49897215
   0.88472749  0.11165800  0.88252580
   0.58764741  0.43240232  0.60733746
   0.75598400  0.35143090  0.78987283
   0.60909488  0.68984880 -0.01982710
   0.90932444  0.61973335  0.38612779
   0.57417805  0.91610214  0.13020559
   0.83078862  0.86431059  0.25550722
   0.65385836  0.66245689  0.46424776
   0.88562936  0.60338816  0.88028163
   0.58885322  0.92581750  0.63994470
   0.83775599  0.86468770  0.75739685
   0.11232072  0.06791978  0.16008400
   0.36098844  0.17499141  0.28407114
   0.09862957  0.29865178  0.02964106
   0.35980278  0.42508475  0.34154553
   0.53454814  0.37672876  0.20278574
   0.28778995  0.35331158  0.15998328
   0.27960252  0.08971845  0.47359220
   0.03612645  0.16793902  0.39459689
   0.03093038  0.08101811  0.55857252
   0.43459489  0.23450665  0.76663001
   0.15342115  0.32182936  0.52008800
   0.36003215  0.45603572  0.85092186
   0.45618395  0.47297821  0.66572039
   0.19900022  0.38352940  0.71306491
   0.30734580  0.20278877 -0.06885600
   0.04002996  0.14752841  0.88006633
   0.13261040  0.55698552  0.09067741
   0.39796012  0.66414031  0.26977090
   0.11074402  0.83041218  0.04480375
   0.35819246  0.91398038  0.35218667
   0.42253672  0.88520605  0.16698472
   0.17613292  0.82589841  0.23614980
   0.32561381  0.64976579  0.45071875
   0.07147072  0.61670199  0.40313000
   0.17179384  0.58955027  0.59723843
   0.30891023  0.70020461  0.77432447
   0.11326408  0.82361968  0.51362380
   0.35353053  0.98649523  0.81278983
   0.42337205  0.91482820  0.63878767
   0.16299990  0.89571239  0.67883168
   0.28693920  0.64789936 -0.02557707
   0.03582230  0.63294022  0.92400944
   0.59845998  0.07436155  0.10517751
   0.83243616  0.21900610  0.27278392
   0.59199212  0.32100464  0.01742070
   0.87128593  0.46258815  0.35633423
   0.02117262  0.38807838  0.21083981
   0.77159138  0.41555152  0.14474996
   0.77950632  0.16500865  0.45838799
   0.54290752  0.08821939  0.41410835
   0.63044150  0.07543710  0.60267868
   0.82541974  0.19828037  0.78878643
   0.56843822  0.30890620  0.52622697
   0.86207882  0.45280356  0.83979401
   0.95850165  0.42840492  0.62872395
   0.71082552  0.38107060  0.67826992
   0.78008088  0.14138686  0.97803930
   0.54586361  0.08609547  0.91623975
   0.55709158  0.57672540  0.06698737
   0.86537272  0.71880164  0.29499469
   0.59293689  0.84115130  0.02598596
   0.85998330  0.97076189  0.34367385
   0.91602171  0.89897422  0.16163737
   0.67261816  0.86683635  0.22063954
   0.81434159  0.63383109  0.47890852
   0.57780110  0.55751577  0.38273007
   0.59252596  0.58755391  0.55894547
   0.84953888  0.70132334  0.78354003
   0.62198738  0.81641491  0.44289510
   0.89167075  0.94320905  0.84899659
   0.90058812  0.89116048  0.64452571
   0.67803532  0.91709995  0.73699566
   0.77556068  0.63717655  0.96423042
   0.52047497  0.66117413  0.89187050
   0.63967309  0.81193588  0.59537799
   0.60745184  0.83891897  0.37648338
   0.91264784  0.20232451  0.10742585
   0.77595883  0.45500930  0.34355748
   0.23242132  0.11230716  0.68156794
   0.22181380  0.73002813  0.74512448
   0.03280482  1.12037717  0.12940323
   0.16763222  1.03685080  0.00787756
   0.63547013  0.36151697  0.84737757
   0.87921677  0.39485296  0.61249261
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932906    0.236394   -0.213115
    -0.000000    9.754379    0.050893
    -0.000000    0.000000   13.854174
   Si   O    H 
    32    64    10
Direct configuration=   648
   0.15570718  0.17003378 -0.03403919
   0.37930442  0.07417930  0.38049343
   0.13678379  0.39858476  0.12590442
   0.39173081  0.33379754  0.24813862
   0.13272270  0.16572565  0.48789460
   0.40257728  0.12891107  0.85646634
   0.12530304  0.42291937  0.61102208
   0.36770131  0.39686087  0.74647347
   0.14170516  0.67218957  0.01486380
   0.41223702  0.57249179  0.36605157
   0.08394164  0.90264461  0.15413271
   0.33652621  0.81647862  0.25661551
   0.17496083  0.67118140  0.49536352
   0.36109230  0.62051952  0.87333139
   0.04374636  0.92094631  0.59861962
   0.30187393  0.98162978  0.69693130
   0.62366401  0.15412598  1.00973870
   0.87896854  0.13261645  0.36980400
   0.61224746  0.43067463  0.10745108
   0.88438667  0.30865664  0.18238834
   0.62363923  0.16202764  0.50025910
   0.88471656  0.11102713  0.88202357
   0.58712670  0.43334196  0.60601646
   0.75607403  0.35019024  0.78914033
   0.60893094  0.68966875 -0.02025034
   0.90982276  0.61857534  0.38729688
   0.57283322  0.91723368  0.13136409
   0.83155363  0.86393164  0.25697883
   0.65423887  0.66302013  0.46421242
   0.88605542  0.60284703  0.87935248
   0.58894528  0.92446855  0.64008281
   0.83718159  0.86607257  0.75778900
   0.11260530  0.06761365  0.15978140
   0.36024256  0.17620213  0.28245550
   0.09860149  0.29810748  0.02892572
   0.36101000  0.42578427  0.34245637
   0.53535167  0.37637505  0.20211846
   0.28806621  0.35295410  0.15950503
   0.27993613  0.08930533  0.47515181
   0.03577001  0.16681421  0.39406961
   0.02928729  0.07970713  0.55749052
   0.43474409  0.23375018  0.76606474
   0.15391054  0.32200371  0.52035434
   0.35999711  0.45577486  0.85220358
   0.45509206  0.47178664  0.66602877
   0.19910158  0.38271534  0.71353380
   0.30562001  0.20341253 -0.06938257
   0.03919714  0.14880076  0.87954560
   0.13248551  0.55506602  0.09056781
   0.39777495  0.66256980  0.27077783
   0.11020545  0.83127086  0.04568813
   0.36023719  0.91490354  0.35162788
   0.42119493  0.88611899  0.16742868
   0.17570067  0.82584140  0.23655871
   0.32592506  0.65078017  0.45050011
   0.07162975  0.61582682  0.40499056
   0.17336391  0.59179382  0.59745668
   0.30789292  0.70148134  0.77362041
   0.11043790  0.82470202  0.51415577
   0.35307853  0.98845508  0.81260178
   0.42232490  0.91444661  0.63866028
   0.16332819  0.89857227  0.67813644
   0.28565520  0.64899185 -0.02564319
   0.03490243  0.63343250  0.92399510
   0.59803749  0.07472173  0.10411403
   0.83243178  0.21932441  0.27148479
   0.59244731  0.32053257  0.01737911
   0.87168957  0.46339836  0.35570591
   0.01971098  0.38943696  0.20976906
   0.77164017  0.41767463  0.14467746
   0.78016515  0.16500260  0.45895445
   0.54217243  0.08904609  0.41416020
   0.63038173  0.07246884  0.60397431
   0.82476603  0.20027044  0.78872722
   0.56924354  0.30966531  0.52628780
   0.86206500  0.45187329  0.83828940
   0.95964159  0.42803983  0.62819346
   0.70841159  0.37877952  0.67732786
   0.77993515  0.13944120  0.97870032
   0.54409518  0.08955705  0.91630226
   0.55841978  0.57629881  0.06716328
   0.86457469  0.71891554  0.29542261
   0.59403520  0.84041805  0.02597877
   0.86124175  0.97155766  0.34309209
   0.91653385  0.89846077  0.16016457
   0.67259945  0.86688736  0.22007316
   0.81371286  0.63331983  0.47903325
   0.57781720  0.55684584  0.38270264
   0.59210084  0.58533486  0.55958709
   0.84989285  0.70355926  0.78292319
   0.62241817  0.81510169  0.44288992
   0.89103090  0.94105749  0.84898775
   0.90104845  0.88943959  0.64477975
   0.67926754  0.91804115  0.73748467
   0.77490666  0.63522492  0.96660374
   0.52085001  0.66075823  0.89185173
   0.64564488  0.80649129  0.59641246
   0.60881901  0.84012796  0.37495788
   0.91266239  0.20501323  0.10735391
   0.78025208  0.44907673  0.34202372
   0.23460018  0.10684581  0.68346339
   0.22593865  0.71972436  0.74845206
   0.03474462  1.12212569  0.12925163
   0.16825569  1.03902205  0.00346729
   0.63917705  0.35613839  0.85229186
   0.86518268  0.39425875  0.60956915
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934137    0.238126   -0.213134
    -0.000000    9.751885    0.052888
    -0.000000    0.000000   13.854341
   Si   O    H 
    32    64    10
Direct configuration=   649
   0.15546345  0.16941151 -0.03417723
   0.38125258  0.07494240  0.38239812
   0.13544193  0.39836411  0.12677790
   0.39205028  0.33525020  0.24743090
   0.13144493  0.16642986  0.48722705
   0.40351750  0.12846010  0.85622785
   0.12621556  0.42296344  0.61130690
   0.36741517  0.39647955  0.74677251
   0.14143949  0.67146716  0.01494401
   0.41155005  0.57363508  0.36545611
   0.08482614  0.90334659  0.15355528
   0.33564115  0.81668973  0.25706070
   0.17550680  0.67142043  0.49640225
   0.36164344  0.62088230  0.87315959
   0.04329917  0.92092715  0.59860409
   0.30329016  0.98155670  0.69755060
   0.62299178  0.15454222  1.00949616
   0.87673351  0.13231820  0.37097159
   0.61252897  0.43079449  0.10818796
   0.88539481  0.30894249  0.18206547
   0.62369549  0.16049812  0.50141506
   0.88432864  0.11026251  0.88137807
   0.58667182  0.43401793  0.60494540
   0.75605529  0.34857676  0.78865440
   0.60979151  0.68923052 -0.01973463
   0.91021985  0.61767532  0.38847717
   0.57109292  0.91819903  0.13214646
   0.83204559  0.86399050  0.25807460
   0.65402915  0.66271850  0.46439769
   0.88656208  0.60324308  0.87837199
   0.58905621  0.92290263  0.64031689
   0.83677104  0.86718201  0.75777008
   0.11313980  0.06739545  0.15950297
   0.36004661  0.17765037  0.28086655
   0.09768410  0.29817223  0.02890695
   0.36169631  0.42585062  0.34306053
   0.53569449  0.37487716  0.20128306
   0.28751219  0.35207710  0.15966589
   0.28022496  0.09005282  0.47706341
   0.03613417  0.16668332  0.39350144
   0.02772741  0.07752516  0.55625508
   0.43455667  0.23417622  0.76537369
   0.15406420  0.32264751  0.52121863
   0.36072387  0.45480313  0.85346676
   0.45436083  0.47029198  0.66661274
   0.19984112  0.38161588  0.71339884
   0.30469756  0.20359095 -0.06921009
   0.03893708  0.15090373  0.87939051
   0.13259768  0.55354683  0.09066054
   0.39829385  0.66149992  0.27219830
   0.11056720  0.83203337  0.04649117
   0.36197371  0.91584721  0.35114564
   0.41992169  0.88785643  0.16842212
   0.17502104  0.82440078  0.23651450
   0.32595814  0.65228309  0.45010444
   0.07197589  0.61495958  0.40653256
   0.17509051  0.59324506  0.59750568
   0.30815561  0.70318986  0.77402272
   0.10745991  0.82603312  0.51485109
   0.35207068  0.98902315  0.81270753
   0.42098579  0.91460282  0.63826851
   0.16357607  0.90008159  0.67771290
   0.28487678  0.65041922 -0.02581992
   0.03328559  0.63331176  0.92400910
   0.59706073  0.07502622  0.10357222
   0.83180846  0.21941164  0.27099552
   0.59236539  0.31991113  0.01813235
   0.87306654  0.46371246  0.35534237
   0.01889243  0.39044775  0.20868523
   0.77116674  0.41907830  0.14468693
   0.78148274  0.16478224  0.45954392
   0.54090704  0.09040178  0.41378955
   0.63070875  0.06997249  0.60456490
   0.82511283  0.20172707  0.78889039
   0.56956620  0.31030992  0.52692412
   0.86167549  0.45156923  0.83734940
   0.96102221  0.42798096  0.62781898
   0.70676095  0.37681649  0.67646423
   0.78053894  0.13808440  0.97902716
   0.54286200  0.09325595  0.91645878
   0.55958125  0.57633201  0.06694502
   0.86434133  0.71850006  0.29622474
   0.59498035  0.84041842  0.02565621
   0.86201898  0.97217471  0.34207646
   0.91697148  0.89801425  0.15872366
   0.67296566  0.86674749  0.21973434
   0.81347262  0.63308873  0.47987825
   0.57823629  0.55730374  0.38350272
   0.59200480  0.58359058  0.56034514
   0.85011918  0.70449383  0.78246833
   0.62302699  0.81441300  0.44288143
   0.88984189  0.93925969  0.84947608
   0.90206963  0.88700817  0.64582388
   0.68100948  0.91831734  0.73785185
   0.77413498  0.63413722  0.96862306
   0.52073829  0.65953734  0.89146308
   0.64595569  0.79997626  0.59634028
   0.61291613  0.84380882  0.37148249
   0.91161132  0.20806196  0.10703991
   0.77815047  0.44479656  0.34095527
   0.23701208  0.11014038  0.68349877
   0.21068956  0.71298810  0.74898356
   0.03995881  1.12469092  0.12928480
   0.17036935  1.03347330  0.00156353
   0.64077966  0.35195658  0.85567613
   0.86355072  0.39777117  0.60738524
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935559    0.239721   -0.213114
    -0.000000    9.749152    0.054774
    -0.000000    0.000000   13.854670
   Si   O    H 
    32    64    10
Direct configuration=   650
   0.15518206  0.16817215 -0.03392572
   0.38297246  0.07552433  0.38343183
   0.13410100  0.39758255  0.12743055
   0.39264039  0.33650211  0.24660861
   0.13047338  0.16680270  0.48656973
   0.40518768  0.12817538  0.85585929
   0.12713766  0.42324435  0.61184991
   0.36632849  0.39542553  0.74684867
   0.14067931  0.67155520  0.01487674
   0.41034953  0.57509485  0.36481400
   0.08547107  0.90361013  0.15280435
   0.33521046  0.81674607  0.25786269
   0.17541281  0.67149560  0.49726415
   0.36145276  0.62122566  0.87288478
   0.04324010  0.92110343  0.59888612
   0.30451558  0.98098359  0.69793286
   0.62225552  0.15521948  1.00899286
   0.87450266  0.13166676  0.37222719
   0.61254598  0.43178948  0.10891760
   0.88574729  0.30891701  0.18143834
   0.62406337  0.15851120  0.50286138
   0.88383272  0.10888008  0.88114486
   0.58709029  0.43451488  0.60370561
   0.75545694  0.34754247  0.78814595
   0.61100060  0.68854711 -0.01903196
   0.91032467  0.61623015  0.38925538
   0.56946193  0.91929547  0.13292282
   0.83249892  0.86472733  0.25868949
   0.65337219  0.66198512  0.46470541
   0.88643095  0.60388918  0.87762875
   0.58876811  0.92081647  0.64082722
   0.83661202  0.86775273  0.75732049
   0.11395211  0.06730510  0.15962867
   0.35971548  0.17856677  0.27950042
   0.09664522  0.29780766  0.02943598
   0.36211571  0.42580469  0.34311858
   0.53596226  0.37306421  0.20094721
   0.28659119  0.35107666  0.15995456
   0.28062923  0.09134111  0.47858146
   0.03594273  0.16742942  0.39235830
   0.02522057  0.07526643  0.55525529
   0.43409178  0.23440810  0.76446903
   0.15497152  0.32280715  0.52144698
   0.36086339  0.45467800  0.85440175
   0.45247039  0.46810480  0.66713724
   0.20016010  0.38050376  0.71304025
   0.30449251  0.20357890 -0.06921935
   0.03791188  0.15247914  0.87964405
   0.13278478  0.55232888  0.09116456
   0.39830360  0.66091261  0.27317037
   0.11124853  0.83309004  0.04732837
   0.36341800  0.91744635  0.35097504
   0.41814593  0.88958775  0.16968011
   0.17445338  0.82425803  0.23681404
   0.32635343  0.65380930  0.44981162
   0.07260524  0.61430243  0.40814757
   0.17616657  0.59347141  0.59742995
   0.30890367  0.70468258  0.77395245
   0.10534873  0.82736057  0.51514179
   0.35120407  0.98896538  0.81219259
   0.42088018  0.91479790  0.63813843
   0.16459220  0.90058261  0.67778660
   0.28402749  0.65172003 -0.02654147
   0.03241172  0.63266851  0.92425035
   0.59564898  0.07507851  0.10350632
   0.83111529  0.21960661  0.27065530
   0.59255676  0.31982345  0.01967534
   0.87404807  0.46396660  0.35461432
   0.01847201  0.39154812  0.20804103
   0.77053037  0.41973073  0.14397215
   0.78126451  0.16448897  0.46018601
   0.53918176  0.09134337  0.41421704
   0.63144492  0.06770489  0.60518886
   0.82558241  0.20176942  0.78925026
   0.56957923  0.31126508  0.52694660
   0.86123358  0.45098672  0.83659293
   0.96325460  0.42856160  0.62741186
   0.70566407  0.37597490  0.67565121
   0.78183206  0.13653903  0.97890984
   0.54165977  0.09744025  0.91642152
   0.56199051  0.57689427  0.06649077
   0.86475732  0.71805186  0.29734702
   0.59489862  0.84008054  0.02551334
   0.86188253  0.97315658  0.34150279
   0.91754789  0.89788117  0.15808252
   0.67404446  0.86560395  0.21953473
   0.81285300  0.63331097  0.48096692
   0.57905639  0.55815189  0.38469025
   0.59277998  0.58242061  0.56054202
   0.85006756  0.70494192  0.78267928
   0.62395827  0.81406912  0.44281117
   0.88855912  0.93866226  0.85075167
   0.90322026  0.88432913  0.64728236
   0.68316223  0.91860897  0.73799885
   0.77358036  0.63419541  0.96959338
   0.52005270  0.65856750  0.89102650
   0.64349055  0.79522394  0.59713493
   0.61795338  0.84809727  0.36967896
   0.91178515  0.21312986  0.10687989
   0.77912842  0.44355981  0.34149299
   0.23798533  0.11870877  0.67998933
   0.20202577  0.70579790  0.75285719
   0.04279569  1.12815265  0.13217424
   0.17486659  1.02559410 -0.00026056
   0.64236277  0.34672966  0.85625454
   0.87422721  0.40199011  0.60814326
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936802    0.241337   -0.212992
    -0.000000    9.746988    0.056541
    -0.000000    0.000000   13.854770
   Si   O    H 
    32    64    10
Direct configuration=   651
   0.15497418  0.16637362 -0.03321661
   0.38427421  0.07609723  0.38416580
   0.13246477  0.39587568  0.12787022
   0.39288076  0.33773523  0.24593020
   0.12972216  0.16692821  0.48613045
   0.40664181  0.12812618  0.85558194
   0.12818307  0.42413225  0.61271070
   0.36465717  0.39353944  0.74687850
   0.13965018  0.67228227  0.01462860
   0.40938836  0.57648876  0.36474200
   0.08538349  0.90415939  0.15205117
   0.33469107  0.81736482  0.25853952
   0.17525088  0.67186258  0.49816434
   0.36069648  0.62120954  0.87227536
   0.04331603  0.92154576  0.59901774
   0.30497420  0.98025510  0.69809355
   0.62182956  0.15599574  1.00829519
   0.87246799  0.13047602  0.37353628
   0.61262651  0.43293182  0.10922834
   0.88586693  0.30861485  0.18111451
   0.62444788  0.15640073  0.50387260
   0.88351609  0.10780180  0.88073714
   0.58776643  0.43499781  0.60280497
   0.75464424  0.34669405  0.78809706
   0.61246911  0.68765354 -0.01867897
   0.91109387  0.61508185  0.38995465
   0.56771759  0.91946336  0.13391331
   0.83221850  0.86459671  0.25867026
   0.65268800  0.66059769  0.46452278
   0.88519590  0.60494631  0.87662085
   0.58850004  0.91831134  0.64120151
   0.83590936  0.86813769  0.75640968
   0.11473584  0.06695631  0.15972065
   0.36005312  0.17903947  0.27901805
   0.09625442  0.29725010  0.03032207
   0.36265398  0.42559885  0.34253909
   0.53720917  0.37104333  0.20071566
   0.28413231  0.35047222  0.15949757
   0.28043280  0.09270308  0.47943772
   0.03586436  0.16778648  0.39126269
   0.02461810  0.07337272  0.55461617
   0.43357608  0.23537122  0.76356824
   0.15655531  0.32344078  0.52168354
   0.36117245  0.45478771  0.85537442
   0.45051610  0.46691152  0.66727540
   0.20022692  0.37949715  0.71233816
   0.30367776  0.20364287 -0.06971474
   0.03678847  0.15396789  0.88022038
   0.13240595  0.55154224  0.09208266
   0.39823080  0.66095654  0.27342888
   0.11235172  0.83290916  0.04882021
   0.36544919  0.91824654  0.35031687
   0.41658131  0.89091017  0.17115111
   0.17391988  0.82333457  0.23708275
   0.32659621  0.65533400  0.45024087
   0.07321116  0.61385523  0.40977674
   0.17752036  0.59320813  0.59760317
   0.30879647  0.70560500  0.77406598
   0.10436170  0.82796563  0.51447835
   0.35079714  0.98914729  0.81089093
   0.42131278  0.91437794  0.63798956
   0.16496168  0.90091314  0.67797822
   0.28403150  0.65333994 -0.02670113
   0.03172243  0.63293594  0.92477138
   0.59412244  0.07519575  0.10301433
   0.83055028  0.21990981  0.27060616
   0.59338215  0.32001371  0.02132022
   0.87435801  0.46387502  0.35453534
   0.01923077  0.39220218  0.20800400
   0.76996116  0.42001809  0.14296345
   0.78048054  0.16424196  0.46129251
   0.53653223  0.09297842  0.41463797
   0.63300942  0.06596901  0.60566373
   0.82658167  0.20144386  0.78907739
   0.56943593  0.31263897  0.52695375
   0.86177488  0.45099317  0.83663275
   0.96609560  0.43008074  0.62717319
   0.70522021  0.37581497  0.67523100
   0.78374210  0.13540362  0.97883539
   0.54039947  0.10106090  0.91683068
   0.56480441  0.57694092  0.06634931
   0.86560888  0.71691041  0.29908563
   0.59534886  0.84004160  0.02579605
   0.86180827  0.97302956  0.34069757
   0.91828697  0.89747581  0.15846536
   0.67511866  0.86534606  0.21961011
   0.81288736  0.63309951  0.48180272
   0.57940523  0.55950238  0.38569617
   0.59386178  0.58288187  0.56024115
   0.85033114  0.70488404  0.78274297
   0.62370831  0.81484731  0.44200833
   0.88855605  0.93843841  0.85233680
   0.90404270  0.88119226  0.64916991
   0.68549840  0.91879386  0.73840546
   0.77248055  0.63471160  0.96951376
   0.51879058  0.65747905  0.89046445
   0.63994784  0.79457287  0.59668436
   0.62288858  0.85079174  0.37244804
   0.91205367  0.21731076  0.10632174
   0.77987897  0.44347666  0.34099609
   0.24369918  0.12630551  0.67815451
   0.21106998  0.69985530  0.76102161
   0.04374977  1.13242066  0.13493764
   0.18059655  1.02414906 -0.00023135
   0.64156960  0.34552320  0.85437032
   0.88409887  0.40322425  0.60822438
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937883    0.242020   -0.212480
    -0.000000    9.745044    0.058785
    -0.000000    0.000000   13.855221
   Si   O    H 
    32    64    10
Direct configuration=   652
   0.15490443  0.16391387 -0.03233794
   0.38560894  0.07627385  0.38455319
   0.13118686  0.39448563  0.12834225
   0.39325170  0.33881684  0.24525106
   0.12887649  0.16669759  0.48610659
   0.40795142  0.12921771  0.85531028
   0.12875193  0.42552595  0.61355061
   0.36247447  0.39207626  0.74695738
   0.13794172  0.67254077  0.01465324
   0.40919672  0.57751240  0.36496865
   0.08513289  0.90476047  0.15119710
   0.33480251  0.81816379  0.25958449
   0.17510596  0.67269819  0.49837586
   0.35991144  0.62210884  0.87152630
   0.04320695  0.92197481  0.59901089
   0.30467095  0.98044767  0.69811687
   0.62087355  0.15706340  1.00738030
   0.87136317  0.12934368  0.37426735
   0.61328552  0.43373157  0.10964534
   0.88525687  0.30853349  0.18115229
   0.62503689  0.15487207  0.50433383
   0.88330078  0.10692025  0.88005191
   0.58804809  0.43557291  0.60209936
   0.75359253  0.34598397  0.78811033
   0.61432603  0.68604529 -0.01831909
   0.91262589  0.61392677  0.39041658
   0.56644560  0.91941682  0.13461702
   0.83184124  0.86444725  0.25872386
   0.65225333  0.65897479  0.46430575
   0.88352269  0.60589654  0.87562702
   0.58799248  0.91585740  0.64176207
   0.83596265  0.86882348  0.75526811
   0.11642457  0.06663068  0.15896004
   0.36076358  0.17941796  0.27886733
   0.09613477  0.29625533  0.03070173
   0.36242179  0.42495348  0.34222118
   0.53793488  0.36913230  0.20115755
   0.28156163  0.35001124  0.15856560
   0.28076019  0.09430319  0.48011775
   0.03459092  0.16789929  0.39023095
   0.02482228  0.07212293  0.55388467
   0.43275956  0.23586909  0.76305247
   0.15803248  0.32468543  0.52171024
   0.36176010  0.45514943  0.85675215
   0.44805120  0.46623228  0.66749319
   0.20113681  0.37849325  0.71102663
   0.30278317  0.20482245 -0.07019287
   0.03615436  0.15527947  0.88124986
   0.13271456  0.55127449  0.09341943
   0.39768830  0.66191343  0.27300336
   0.11365820  0.83276416  0.05036182
   0.36779933  0.91893970  0.34970718
   0.41553270  0.89169064  0.17159728
   0.17318840  0.82242594  0.23719282
   0.32608851  0.65688931  0.45038213
   0.07405037  0.61346021  0.41172887
   0.17840227  0.59201822  0.59855075
   0.30857011  0.70613790  0.77393351
   0.10331455  0.82773804  0.51438186
   0.35103559  0.98888562  0.81003137
   0.42243551  0.91411991  0.63778272
   0.16508814  0.90180913  0.67866719
   0.28522098  0.65479831 -0.02694176
   0.03094209  0.63340531  0.92559590
   0.59292984  0.07481011  0.10286497
   0.82985801  0.22063493  0.27067478
   0.59459331  0.31972032  0.02296113
   0.87437591  0.46358833  0.35443315
   0.02007980  0.39304565  0.20815165
   0.76970363  0.42005992  0.14250835
   0.77938591  0.16398142  0.46215293
   0.53414223  0.09440091  0.41460826
   0.63410593  0.06502420  0.60571682
   0.82772152  0.20105567  0.78898869
   0.56921959  0.31413860  0.52667059
   0.86110299  0.45165310  0.83715045
   0.97109449  0.43076824  0.62734390
   0.70504893  0.37548254  0.67482999
   0.78610308  0.13397005  0.97857604
   0.53902790  0.10507129  0.91723333
   0.56789899  0.57771873  0.06533716
   0.86678086  0.71463366  0.30101748
   0.59577858  0.84046392  0.02588994
   0.86243190  0.97267371  0.33997330
   0.91952245  0.89688189  0.15862828
   0.67504310  0.86545902  0.21952586
   0.81247985  0.63228551  0.48241130
   0.57905896  0.56135288  0.38669376
   0.59546405  0.58375885  0.56002803
   0.85060610  0.70573690  0.78242255
   0.62271183  0.81685799  0.44067167
   0.88835786  0.93906009  0.85403678
   0.90563216  0.87920724  0.65026840
   0.68792110  0.91914085  0.73886198
   0.77002765  0.63554212  0.96886814
   0.51798828  0.65649684  0.89003552
   0.63318280  0.79552204  0.59549650
   0.62724288  0.84975494  0.37639973
   0.91366875  0.21423341  0.10425914
   0.78153631  0.44541915  0.34017575
   0.24975060  0.12918528  0.67687049
   0.22321029  0.69732556  0.77027044
   0.04402838  1.13706368  0.13709121
   0.18348849  1.02304638  0.00004099
   0.63867402  0.34661419  0.85216808
   0.88076401  0.40030472  0.60215475
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938695    0.243351   -0.212271
    -0.000000    9.743025    0.061199
    -0.000000    0.000000   13.856036
   Si   O    H 
    32    64    10
Direct configuration=   653
   0.15507246  0.16136051 -0.03143998
   0.38558151  0.07650569  0.38515334
   0.12958288  0.39319746  0.12872113
   0.39230246  0.33931738  0.24412933
   0.12792408  0.16652868  0.48604140
   0.40862388  0.13052870  0.85563901
   0.12915150  0.42709216  0.61438938
   0.36026028  0.39030463  0.74698502
   0.13622143  0.67249975  0.01414967
   0.40897923  0.57838497  0.36574828
   0.08423612  0.90574149  0.15053945
   0.33461538  0.81842169  0.26053772
   0.17494530  0.67308881  0.49846126
   0.35920018  0.62322832  0.87102188
   0.04303140  0.92211458  0.59862760
   0.30451878  0.98078954  0.69801378
   0.62013707  0.15849960  1.00684519
   0.87043215  0.12874428  0.37464457
   0.61376902  0.43410351  0.10983886
   0.88483248  0.30852650  0.18111584
   0.62558043  0.15313241  0.50498148
   0.88346177  0.10614977  0.87984167
   0.58810187  0.43609790  0.60165277
   0.75166845  0.34582322  0.78799752
   0.61600192  0.68470434 -0.01777732
   0.91412837  0.61274866  0.39065490
   0.56566920  0.91882980  0.13503806
   0.83106399  0.86346630  0.25842356
   0.65170060  0.65719894  0.46450427
   0.88128474  0.60682070  0.87490550
   0.58739214  0.91382651  0.64216145
   0.83597120  0.86926757  0.75437075
   0.11798313  0.06651995  0.15828439
   0.36206597  0.18017126  0.27953057
   0.09664753  0.29573511  0.03145753
   0.36200993  0.42497659  0.34187192
   0.53807436  0.36734048  0.20210956
   0.27990773  0.34987206  0.15756368
   0.28128951  0.09569825  0.48009235
   0.03390749  0.16755770  0.38893205
   0.02549989  0.07106215  0.55355006
   0.43242111  0.23572229  0.76313878
   0.15944090  0.32551521  0.52190245
   0.36233778  0.45554855  0.85793554
   0.44530859  0.46541735  0.66778404
   0.20237222  0.37785130  0.70969503
   0.30153317  0.20619349 -0.07102811
   0.03550974  0.15715148  0.88228486
   0.13298620  0.55117355  0.09466730
   0.39685712  0.66330932  0.27153572
   0.11499636  0.83257531  0.05129532
   0.37048356  0.91936445  0.34905976
   0.41396918  0.89250888  0.17147174
   0.17209915  0.82157713  0.23697509
   0.32490693  0.65790081  0.45085240
   0.07412750  0.61313872  0.41337594
   0.17946485  0.59098345  0.59950721
   0.31023110  0.70578501  0.77387704
   0.10240802  0.82741789  0.51434384
   0.35173007  0.98895246  0.80904623
   0.42354126  0.91365708  0.63696060
   0.16518998  0.90256976  0.67966446
   0.28631584  0.65667626 -0.02688125
   0.02970972  0.63369539  0.92649712
   0.59188966  0.07411210  0.10278665
   0.82897245  0.22107848  0.27109668
   0.59515580  0.32028182  0.02459862
   0.87377157  0.46331327  0.35443814
   0.02125205  0.39327236  0.20773516
   0.76884564  0.41983540  0.14203915
   0.77872703  0.16346885  0.46271848
   0.53257675  0.09626570  0.41460474
   0.63556828  0.06518854  0.60485801
   0.82846742  0.19976809  0.78878583
   0.56943597  0.31521582  0.52603796
   0.86078929  0.45166383  0.83805778
   0.97534311  0.43149258  0.62720512
   0.70479056  0.37476777  0.67475256
   0.78899805  0.13225593  0.97809132
   0.53741215  0.10889705  0.91786482
   0.57092178  0.57913626  0.06430393
   0.86837603  0.71213025  0.30302696
   0.59710457  0.84125825  0.02589953
   0.86284573  0.97270819  0.33912143
   0.91945646  0.89639255  0.15873530
   0.67573432  0.86621564  0.21897898
   0.81247397  0.63138066  0.48346732
   0.57778761  0.56319688  0.38776997
   0.59675303  0.58578488  0.55963955
   0.85058839  0.70641815  0.78214657
   0.62183635  0.81909114  0.43983517
   0.88803028  0.94047633  0.85563342
   0.90827208  0.87818485  0.65106128
   0.68885930  0.91994224  0.73916185
   0.76769673  0.63642710  0.96763788
   0.51668837  0.65580481  0.89028313
   0.62529885  0.79618674  0.59597894
   0.63140221  0.85300276  0.37191953
   0.91683763  0.20773114  0.10404583
   0.78001889  0.44826414  0.33784818
   0.25788836  0.12404644  0.67621069
   0.20302735  0.69507640  0.77586134
   0.04394261  1.13823629  0.13964169
   0.18423694  1.02426464  0.00000868
   0.63547000  0.34943469  0.85085545
   0.88268661  0.39905010  0.59722344
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939105    0.244651   -0.211874
    -0.000000    9.741741    0.063431
    -0.000000    0.000000   13.857330
   Si   O    H 
    32    64    10
Direct configuration=   654
   0.15508108  0.15894094 -0.03072503
   0.38488062  0.07679074  0.38577179
   0.12862519  0.39151812  0.12866910
   0.39141291  0.33963224  0.24345439
   0.12778077  0.16667289  0.48629137
   0.40879192  0.13209523  0.85612409
   0.12927363  0.42831413  0.61525504
   0.35830146  0.38851877  0.74714193
   0.13525750  0.67145060  0.01367080
   0.40861918  0.57948915  0.36643213
   0.08289988  0.90609807  0.15009315
   0.33389547  0.81812896  0.26081515
   0.17481638  0.67352104  0.49850784
   0.35864299  0.62389261  0.87067458
   0.04324836  0.92203941  0.59821171
   0.30450241  0.98153435  0.69800961
   0.61982548  0.15973456  1.00628020
   0.87015054  0.12854150  0.37414460
   0.61378761  0.43395575  0.11013875
   0.88392629  0.30883562  0.18102321
   0.62632464  0.15198749  0.50566389
   0.88314466  0.10484553  0.87986432
   0.58814346  0.43625950  0.60138922
   0.74888119  0.34583006  0.78792728
   0.61746437  0.68393905 -0.01731289
   0.91552953  0.61174963  0.39049184
   0.56498207  0.91791035  0.13539031
   0.83062606  0.86201478  0.25788466
   0.65152623  0.65565318  0.46456911
   0.87879487  0.60823565  0.87453916
   0.58695672  0.91226971  0.64270031
   0.83620243  0.86908934  0.75375791
   0.11852906  0.06623453  0.15778813
   0.36264852  0.18085164  0.28085530
   0.09742929  0.29659193  0.03243803
   0.36168222  0.42518776  0.34186422
   0.53719858  0.36681505  0.20283002
   0.27859536  0.34937074  0.15682150
   0.28234265  0.09773785  0.47974996
   0.03274150  0.16713596  0.38778614
   0.02601991  0.07113329  0.55364563
   0.43203635  0.23578915  0.76267298
   0.16102198  0.32576555  0.52185356
   0.36279447  0.45655384  0.85834854
   0.44391284  0.46497924  0.66749700
   0.20428081  0.37756752  0.70832044
   0.30118459  0.20656553 -0.07101140
   0.03439748  0.15927575  0.88356896
   0.13343845  0.55141493  0.09548258
   0.39540302  0.66545730  0.27019992
   0.11635419  0.83117295  0.05164963
   0.37224910  0.91998520  0.34809491
   0.41266751  0.89334091  0.17152037
   0.17088976  0.82103099  0.23632523
   0.32400311  0.65837649  0.45124166
   0.07464322  0.61252382  0.41556581
   0.18058166  0.58859794  0.60089369
   0.31048657  0.70576755  0.77371540
   0.10258756  0.82630833  0.51383626
   0.35295592  0.98860943  0.80869638
   0.42470565  0.91357292  0.63635357
   0.16460699  0.90373957  0.68080842
   0.28663087  0.65818828 -0.02633447
   0.02859183  0.63397641  0.92696717
   0.59184184  0.07359822  0.10308680
   0.82861700  0.22059533  0.27124509
   0.59519522  0.32090136  0.02556515
   0.87325361  0.46187790  0.35415258
   0.02123231  0.39339413  0.20797076
   0.76770411  0.41985573  0.14163022
   0.77802431  0.16258384  0.46300553
   0.53143760  0.09777670  0.41518131
   0.63678341  0.06457772  0.60388470
   0.82906512  0.19860073  0.78848288
   0.56954044  0.31603186  0.52525695
   0.86100294  0.45108192  0.83873148
   0.97816080  0.43204270  0.62705671
   0.70455489  0.37436651  0.67490937
   0.79107057  0.13028134  0.97770862
   0.53630663  0.11215249  0.91894756
   0.57306256  0.57947805  0.06387081
   0.86945053  0.71071170  0.30507426
   0.59814782  0.84135610  0.02638018
   0.86236360  0.97296626  0.33837246
   0.91933824  0.89562802  0.15888262
   0.67662180  0.86632428  0.21838563
   0.81235920  0.63032886  0.48450348
   0.57643270  0.56388632  0.38829556
   0.59813191  0.58818220  0.55926542
   0.85104961  0.70706956  0.78223090
   0.62140235  0.82098588  0.43892543
   0.88802814  0.94225663  0.85648789
   0.91134613  0.87709741  0.65139779
   0.68887668  0.92044700  0.73875927
   0.76645661  0.63749503  0.96640467
   0.51572659  0.65531565  0.89027150
   0.61799694  0.79035236  0.59677717
   0.63418342  0.85262835  0.36954514
   0.91865448  0.20167635  0.10118226
   0.77932953  0.45321106  0.33743609
   0.26540746  0.12069987  0.67318278
   0.19625984  0.69619721  0.77864526
   0.05062863  1.13271123  0.14245680
   0.18504250  1.02298531  0.00273103
   0.63161678  0.35280729  0.84978088
   0.89517116  0.40358726  0.59559893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939557    0.246148   -0.211516
    -0.000000    9.739784    0.065722
    -0.000000    0.000000   13.858588
   Si   O    H 
    32    64    10
Direct configuration=   655
   0.15512133  0.15674318 -0.02989257
   0.38432635  0.07708819  0.38620748
   0.12839507  0.38982953  0.12853900
   0.39052480  0.33960883  0.24295726
   0.12736972  0.16749573  0.48654644
   0.40842967  0.13364636  0.85598831
   0.12945559  0.42936640  0.61589566
   0.35684428  0.38686637  0.74765474
   0.13442450  0.67046767  0.01348954
   0.40761766  0.58002864  0.36742298
   0.08169433  0.90601574  0.14935276
   0.33404156  0.81832383  0.26082955
   0.17405651  0.67401543  0.49849105
   0.35817821  0.62463788  0.87025503
   0.04349639  0.92179746  0.59784862
   0.30396584  0.98253379  0.69818715
   0.62006555  0.16088869  1.00602389
   0.87091227  0.12812065  0.37318104
   0.61420928  0.43379247  0.11068396
   0.88293440  0.30904165  0.18077854
   0.62680512  0.15121045  0.50604340
   0.88194663  0.10413114  0.87975061
   0.58831614  0.43588605  0.60161595
   0.74550243  0.34631861  0.78771736
   0.61809302  0.68336502 -0.01635332
   0.91672860  0.61022713  0.39080117
   0.56479795  0.91671992  0.13575854
   0.83050251  0.86033860  0.25754230
   0.65191136  0.65457752  0.46451592
   0.87683701  0.60985816  0.87414323
   0.58632568  0.91142920  0.64316254
   0.83650224  0.86919605  0.75340127
   0.11928354  0.06490180  0.15735888
   0.36334120  0.18108391  0.28280059
   0.09906859  0.29693221  0.03316808
   0.36227986  0.42562884  0.34247924
   0.53659249  0.36635817  0.20330229
   0.27753990  0.34922800  0.15641832
   0.28377117  0.09944097  0.47898687
   0.03164160  0.16627607  0.38690257
   0.02616475  0.07238208  0.55364500
   0.43120840  0.23651497  0.76170942
   0.16251069  0.32593372  0.52174270
   0.36202336  0.45768218  0.85882715
   0.44245161  0.46409274  0.66632430
   0.20739380  0.37637869  0.70703004
   0.30125617  0.20667893 -0.07079106
   0.03376426  0.16006543  0.88538367
   0.13310128  0.55203977  0.09578958
   0.39341500  0.66819542  0.26889555
   0.11696713  0.83011506  0.05122564
   0.37337149  0.91982464  0.34748388
   0.41178364  0.89444070  0.17127094
   0.16999040  0.82062790  0.23557957
   0.32351285  0.65795600  0.45199280
   0.07506383  0.61164672  0.41759909
   0.18071756  0.58631617  0.60210533
   0.31036984  0.70565574  0.77383758
   0.10300518  0.82571735  0.51321382
   0.35510863  0.98850898  0.80844889
   0.42564045  0.91345791  0.63549548
   0.16366028  0.90480066  0.68209531
   0.28724177  0.65921643 -0.02640104
   0.02701515  0.63442451  0.92743689
   0.59202156  0.07312749  0.10386905
   0.82810143  0.22050740  0.27167109
   0.59548946  0.32150303  0.02669239
   0.87317053  0.45996350  0.35373529
   0.02007195  0.39374623  0.20847867
   0.76657047  0.42037697  0.14087446
   0.77750536  0.16214471  0.46304636
   0.53032495  0.09892264  0.41612437
   0.63751269  0.06424931  0.60361440
   0.82941581  0.19739497  0.78797992
   0.56989350  0.31606371  0.52435060
   0.86102527  0.45048691  0.83989814
   0.98011086  0.43257913  0.62725635
   0.70433620  0.37411090  0.67469333
   0.79239254  0.12920745  0.97749110
   0.53556126  0.11444317  0.91973212
   0.57425063  0.57897452  0.06438380
   0.87038133  0.70988497  0.30655616
   0.59851796  0.84124452  0.02690328
   0.86149634  0.97281683  0.33787396
   0.91920708  0.89407936  0.15996139
   0.67732103  0.86583864  0.21748159
   0.81315674  0.62886107  0.48515896
   0.57483341  0.56484790  0.38862380
   0.59922254  0.59019911  0.55952343
   0.85138304  0.70791697  0.78245486
   0.62029425  0.82286405  0.43755115
   0.88855597  0.94357210  0.85638232
   0.91403377  0.87616278  0.65228964
   0.68878270  0.92109661  0.73820653
   0.76655679  0.63868688  0.96494638
   0.51504754  0.65476203  0.89044010
   0.61428432  0.78533508  0.59534895
   0.63657046  0.84845430  0.37251214
   0.91818519  0.19890321  0.10509777
   0.77701757  0.46056119  0.33846870
   0.27167833  0.12201110  0.66900611
   0.20331635  0.69736190  0.77790072
   0.04645449  1.13593306  0.14362705
   0.18432596  1.01752907  0.00973175
   0.62681117  0.35642685  0.84827724
   0.90656701  0.40639211  0.59206045
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940035    0.248198   -0.211228
    -0.000000    9.737879    0.068188
    -0.000000    0.000000   13.860108
   Si   O    H 
    32    64    10
Direct configuration=   656
   0.15588138  0.15544816 -0.02866774
   0.38320393  0.07712701  0.38558949
   0.12789292  0.38855210  0.12782707
   0.38953253  0.33872068  0.24268904
   0.12686370  0.16853012  0.48689894
   0.40737533  0.13538025  0.85567104
   0.13005288  0.43011521  0.61625694
   0.35655849  0.38545124  0.74843287
   0.13370107  0.66986457  0.01339531
   0.40676931  0.57998125  0.36851194
   0.08062454  0.90628732  0.14944902
   0.33368443  0.81938864  0.26040691
   0.17291786  0.67481545  0.49889524
   0.35712095  0.62482451  0.87053755
   0.04420377  0.92205137  0.59734471
   0.30349160  0.98352860  0.69831515
   0.62071484  0.16144564  1.00591412
   0.87208031  0.12821226  0.37221534
   0.61433613  0.43373344  0.11113493
   0.88123753  0.30872717  0.18061539
   0.62740058  0.15099377  0.50628629
   0.88064611  0.10329251  0.87939921
   0.58795590  0.43587257  0.60190303
   0.74268962  0.34674351  0.78753998
   0.61768613  0.68374425 -0.01574802
   0.91772373  0.60794875  0.39087787
   0.56490395  0.91519728  0.13585522
   0.82967726  0.85885739  0.25693366
   0.65218864  0.65402556  0.46434956
   0.87494949  0.61166588  0.87438804
   0.58578221  0.91132328  0.64364957
   0.83692613  0.86919886  0.75357412
   0.11985100  0.06333147  0.15726027
   0.36400383  0.18090952  0.28473010
   0.10033923  0.29704551  0.03317131
   0.36280629  0.42668088  0.34302871
   0.53570299  0.36748222  0.20433117
   0.27739361  0.34906550  0.15686919
   0.28410319  0.10176479  0.47804933
   0.03080530  0.16539860  0.38629819
   0.02628170  0.07450913  0.55267229
   0.42972501  0.23741627  0.76111959
   0.16380668  0.32655671  0.52149555
   0.36124002  0.45864796  0.85849405
   0.44150574  0.46309143  0.66559733
   0.20967046  0.37511419  0.70625649
   0.30057832  0.20710233 -0.07089394
   0.03417936  0.16098597  0.88749127
   0.13330369  0.55317199  0.09663690
   0.39241479  0.67040222  0.26781153
   0.11775778  0.82938777  0.04988446
   0.37385114  0.91851750  0.34655355
   0.41058488  0.89497677  0.17002814
   0.16923048  0.82001374  0.23479201
   0.32331423  0.65730426  0.45267178
   0.07533681  0.61174688  0.41923209
   0.18171889  0.58444115  0.60301308
   0.30864191  0.70499349  0.77362730
   0.10342648  0.82508119  0.51278365
   0.35674166  0.98844645  0.80845820
   0.42569109  0.91338848  0.63413562
   0.16319658  0.90693929  0.68333791
   0.28728845  0.66064485 -0.02697719
   0.02414940  0.63495342  0.92770808
   0.59287861  0.07264778  0.10491286
   0.82799284  0.22056443  0.27208051
   0.59598515  0.32145700  0.02797885
   0.87353990  0.45831929  0.35314337
   0.01871982  0.39311645  0.20927472
   0.76554199  0.42096317  0.14012243
   0.77633833  0.16275691  0.46276812
   0.53059964  0.10087431  0.41663431
   0.63865657  0.06339951  0.60355851
   0.82959515  0.19680067  0.78722204
   0.57012209  0.31466881  0.52317935
   0.86068641  0.44988104  0.84081772
   0.98195852  0.43321587  0.62815383
   0.70355903  0.37379003  0.67498192
   0.79251378  0.12868953  0.97727966
   0.53534831  0.11629985  0.92035245
   0.57443049  0.57839251  0.06501024
   0.87039270  0.70963703  0.30753803
   0.59892478  0.84149268  0.02769677
   0.86113123  0.97276575  0.33763114
   0.91861565  0.89209253  0.16082324
   0.67736686  0.86530358  0.21639138
   0.81434779  0.62745454  0.48503257
   0.57287319  0.56548310  0.38874019
   0.60034429  0.59225204  0.55981306
   0.85216830  0.70896457  0.78281725
   0.62002611  0.82421069  0.43632250
   0.88854278  0.94467701  0.85587596
   0.91572762  0.87477899  0.65289498
   0.68738914  0.92273752  0.73813784
   0.76775871  0.63896970  0.96382088
   0.51450939  0.65491399  0.89130397
   0.61255172  0.77939438  0.59324366
   0.63724441  0.84549479  0.37091121
   0.91510589  0.20113027  0.11291350
   0.77546794  0.46368582  0.34033167
   0.28041403  0.12356391  0.66495105
   0.21968551  0.70245007  0.77633839
   0.04419075  1.13849584  0.14659039
   0.18425616  1.01489447  0.01402839
   0.62231655  0.35828517  0.84528432
   0.90675826  0.40515865  0.58399707
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940204    0.250925   -0.211166
    -0.000000    9.735754    0.069729
    -0.000000    0.000000   13.861749
   Si   O    H 
    32    64    10
Direct configuration=   657
   0.15622475  0.15428411 -0.02736845
   0.38155159  0.07676605  0.38460801
   0.12790540  0.38795539  0.12713024
   0.38903649  0.33746816  0.24244551
   0.12623941  0.16909521  0.48715785
   0.40603945  0.13674009  0.85549656
   0.13163650  0.43065029  0.61682782
   0.35617223  0.38534230  0.74951773
   0.13300052  0.66956625  0.01307352
   0.40639259  0.57952144  0.36911229
   0.07997305  0.90653898  0.14965497
   0.33266604  0.81990068  0.25935416
   0.17192232  0.67543740  0.49955912
   0.35599959  0.62459324  0.87131379
   0.04525889  0.92295615  0.59716437
   0.30343479  0.98472842  0.69807718
   0.62244018  0.16121908  1.00638932
   0.87339176  0.12937724  0.37118366
   0.61431981  0.43402199  0.11159275
   0.87961430  0.30882245  0.18056304
   0.62784924  0.15113298  0.50612792
   0.87944011  0.10248576  0.87881525
   0.58694724  0.43540810  0.60261358
   0.74084063  0.34711187  0.78778949
   0.61659470  0.68400738 -0.01554541
   0.91807638  0.60593586  0.39110137
   0.56511763  0.91385614  0.13606353
   0.82970454  0.85695241  0.25645575
   0.65236713  0.65365181  0.46395132
   0.87280672  0.61294678  0.87411597
   0.58507951  0.91121144  0.64374981
   0.83718747  0.86925655  0.75414369
   0.12005750  0.06194391  0.15706387
   0.36462910  0.17986414  0.28689329
   0.10122221  0.29700505  0.03366896
   0.36440512  0.42760607  0.34352026
   0.53459802  0.36878590  0.20504350
   0.27801137  0.34910952  0.15713785
   0.28440294  0.10332732  0.47718918
   0.03075248  0.16498365  0.38544878
   0.02704672  0.07587720  0.55201356
   0.42853138  0.23687300  0.76062427
   0.16437138  0.32665220  0.52192835
   0.36053141  0.45898967  0.85817286
   0.44161083  0.46272969  0.66471928
   0.21182261  0.37378382  0.70632384
   0.29969522  0.20738025 -0.07165409
   0.03529048  0.16122831  0.88963509
   0.13255977  0.55505345  0.09769394
   0.39145083  0.67166041  0.26648059
   0.11849748  0.82846246  0.04858280
   0.37419517  0.91782159  0.34631765
   0.40949879  0.89503352  0.16880289
   0.16858923  0.82015328  0.23393863
   0.32378317  0.65692915  0.45312521
   0.07506741  0.61064126  0.42042238
   0.18131289  0.58369789  0.60306651
   0.30800309  0.70376309  0.77354613
   0.10432123  0.82415901  0.51182035
   0.35809330  0.98943864  0.80885647
   0.42648220  0.91353374  0.63269554
   0.16357572  0.90882628  0.68421699
   0.28730641  0.66207250 -0.02779156
   0.02142214  0.63569496  0.92733837
   0.59338187  0.07251434  0.10543564
   0.82753737  0.22059063  0.27228698
   0.59700671  0.32179339  0.02880235
   0.87285634  0.45688499  0.35217768
   0.01728293  0.39247819  0.20993985
   0.76646572  0.42199539  0.13995914
   0.77501076  0.16355880  0.46288984
   0.53149659  0.10222176  0.41791896
   0.63967662  0.06271470  0.60429746
   0.83004938  0.19654040  0.78613083
   0.57004509  0.31367778  0.52157782
   0.86060237  0.45002951  0.84118724
   0.98165898  0.43351543  0.62901553
   0.70363537  0.37288285  0.67553552
   0.79233026  0.12837770  0.97750345
   0.53543433  0.11780576  0.92165535
   0.57421864  0.57730285  0.06579975
   0.87052889  0.70984750  0.30813912
   0.60005202  0.84189001  0.02865568
   0.86167992  0.97180155  0.33689272
   0.91687631  0.89001083  0.16217328
   0.67704440  0.86421347  0.21521818
   0.81671657  0.62624539  0.48524989
   0.56991116  0.56582706  0.38879892
   0.60095743  0.59299385  0.56031947
   0.85246219  0.70929782  0.78298426
   0.61993279  0.82395923  0.43534822
   0.88919142  0.94558049  0.85528666
   0.91729323  0.87423339  0.65309943
   0.68509195  0.92392826  0.73755316
   0.76876011  0.63931566  0.96205941
   0.51451082  0.65495193  0.89216341
   0.61115229  0.77922723  0.59222894
   0.63595963  0.84228474  0.36287992
   0.90849033  0.20387769  0.11735410
   0.77628371  0.46586403  0.34093586
   0.29069714  0.12396411  0.65893369
   0.20910621  0.70925965  0.77401746
   0.04652581  1.13207343  0.15054361
   0.18391494  1.01575241  0.01333363
   0.61839171  0.36007172  0.84417654
   0.90928839  0.40242509  0.57750647
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940065    0.253624   -0.210592
    -0.000000    9.733642    0.070624
    -0.000000    0.000000   13.862879
   Si   O    H 
    32    64    10
Direct configuration=   658
   0.15674890  0.15405354 -0.02617141
   0.37941431  0.07769550  0.38376415
   0.12781683  0.38739589  0.12591940
   0.38868493  0.33693939  0.24232457
   0.12595004  0.16933615  0.48706154
   0.40438802  0.13850142  0.85516923
   0.13394636  0.43069780  0.61722791
   0.35637591  0.38537076  0.75042777
   0.13241454  0.66874879  0.01273458
   0.40584814  0.57969640  0.36960484
   0.07910755  0.90572764  0.14997110
   0.33101580  0.82031469  0.25881379
   0.17099300  0.67567852  0.50012731
   0.35554141  0.62374240  0.87226581
   0.04545258  0.92347985  0.59748080
   0.30384377  0.98582779  0.69797967
   0.62481128  0.16032896  1.00757128
   0.87404111  0.13081365  0.37008227
   0.61445765  0.43370156  0.11203444
   0.87791244  0.30959165  0.18080281
   0.62770999  0.15145963  0.50568518
   0.87829865  0.10270442  0.87866394
   0.58561240  0.43490668  0.60339175
   0.73993394  0.34760899  0.78808172
   0.61540566  0.68467486 -0.01550895
   0.91852763  0.60394907  0.39142335
   0.56527347  0.91248607  0.13597518
   0.82913721  0.85500880  0.25591333
   0.65355717  0.65344579  0.46366445
   0.87064983  0.61331777  0.87370894
   0.58400900  0.91147822  0.64351967
   0.83717839  0.86958714  0.75525435
   0.12037240  0.06169090  0.15704438
   0.36517758  0.17864525  0.28878716
   0.10201580  0.29621033  0.03362370
   0.36580384  0.42811784  0.34411994
   0.53345019  0.37052568  0.20564443
   0.27917491  0.34945519  0.15806594
   0.28430858  0.10448270  0.47622124
   0.03173012  0.16484026  0.38508190
   0.02857740  0.07667191  0.55148452
   0.42825735  0.23572843  0.76034648
   0.16420857  0.32651518  0.52235795
   0.35952936  0.45951429  0.85808750
   0.44237144  0.46226689  0.66435349
   0.21323465  0.37201222  0.70654750
   0.29844224  0.20742863 -0.07202036
   0.03671091  0.16126932  0.89140903
   0.13208724  0.55635420  0.09873090
   0.39064835  0.67225269  0.26514509
   0.11841918  0.82752537  0.04763382
   0.37468989  0.91747830  0.34643370
   0.40878331  0.89393454  0.16699762
   0.16868641  0.81940637  0.23278617
   0.32529909  0.65597795  0.45360609
   0.07398142  0.60922445  0.42158789
   0.18001136  0.58397751  0.60278585
   0.30682163  0.70252419  0.77370305
   0.10473887  0.82386430  0.51046934
   0.35988245  0.98954683  0.80943461
   0.42609969  0.91476933  0.63208564
   0.16441344  0.91049744  0.68476554
   0.28736365  0.66330293 -0.02871940
   0.01814992  0.63630898  0.92723065
   0.59426710  0.07326991  0.10589005
   0.82767365  0.22040584  0.27273346
   0.59770163  0.32272735  0.02927350
   0.87291518  0.45627955  0.35095775
   0.01618512  0.39048445  0.21049668
   0.76785583  0.42370857  0.13969397
   0.77504310  0.16426582  0.46309846
   0.53285656  0.10327512  0.41904050
   0.63985302  0.06239083  0.60458622
   0.83038877  0.19707511  0.78519171
   0.56982607  0.31257286  0.52017416
   0.86027552  0.45066781  0.84102031
   0.97984362  0.43333833  0.62948919
   0.70439646  0.37234721  0.67538976
   0.79119658  0.12818991  0.97745608
   0.53585183  0.11850014  0.92189119
   0.57436606  0.57647363  0.06686587
   0.86996825  0.71066185  0.30833230
   0.60179456  0.84194524  0.02900496
   0.86178554  0.97116521  0.33696611
   0.91585318  0.88727645  0.16380618
   0.67622899  0.86254792  0.21412293
   0.81980463  0.62595131  0.48536321
   0.56751806  0.56574557  0.38810090
   0.60144277  0.59344349  0.56111653
   0.85258431  0.70920464  0.78282022
   0.61930383  0.82388765  0.43442372
   0.88892097  0.94604023  0.85476476
   0.91838682  0.87365642  0.65359579
   0.68282132  0.92505898  0.73681160
   0.76907143  0.63969697  0.96061306
   0.51511451  0.65549883  0.89328839
   0.61189055  0.78514120  0.59512532
   0.63516987  0.83901416  0.36102578
   0.90167632  0.20223099  0.11738961
   0.77643989  0.46191080  0.34113015
   0.29674516  0.12433652  0.65173567
   0.19967608  0.71797120  0.76985697
   0.04693843  1.12606370  0.15204768
   0.18279096  1.02061911  0.01077799
   0.61674508  0.35968680  0.84105864
   0.92037267  0.39971992  0.57750736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939429    0.256469   -0.209815
    -0.000000    9.731331    0.071460
    -0.000000    0.000000   13.864353
   Si   O    H 
    32    64    10
Direct configuration=   659
   0.15735766  0.15370497 -0.02550958
   0.37752667  0.07813846  0.38279399
   0.12742345  0.38656905  0.12495859
   0.38787954  0.33638135  0.24278277
   0.12642758  0.16978432  0.48698788
   0.40316088  0.14106330  0.85497968
   0.13579955  0.43042644  0.61736146
   0.35698182  0.38618033  0.75099467
   0.13222168  0.66812865  0.01232920
   0.40482945  0.57988145  0.37051051
   0.07833935  0.90452026  0.15003513
   0.32941590  0.82100292  0.25823571
   0.17053557  0.67624392  0.50087081
   0.35582992  0.62319095  0.87276383
   0.04598243  0.92361410  0.59809259
   0.30436625  0.98709052  0.69797076
   0.62687921  0.15973634  1.00912452
   0.87380767  0.13228863  0.36895904
   0.61489548  0.43313247  0.11212624
   0.87685563  0.31091008  0.18090477
   0.62754043  0.15231872  0.50494604
   0.87775836  0.10460545  0.87869837
   0.58495023  0.43407926  0.60412498
   0.73985476  0.34803219  0.78850030
   0.61440974  0.68533960 -0.01547078
   0.91872187  0.60246874  0.39142461
   0.56508617  0.91125763  0.13552130
   0.82880965  0.85302321  0.25530052
   0.65479828  0.65401404  0.46315676
   0.86911860  0.61336388  0.87303414
   0.58315539  0.91211917  0.64284896
   0.83664345  0.87018606  0.75583616
   0.12080585  0.06088097  0.15782481
   0.36602908  0.17779250  0.29116587
   0.10291378  0.29520982  0.03336569
   0.36721983  0.42766330  0.34499882
   0.53283166  0.37303232  0.20578507
   0.28096464  0.34957432  0.15930485
   0.28437049  0.10536455  0.47485217
   0.03380668  0.16490385  0.38455127
   0.03030786  0.07708051  0.55120641
   0.42848257  0.23478323  0.76023828
   0.16413043  0.32621224  0.52294949
   0.35823986  0.46029807  0.85728777
   0.44357654  0.46131674  0.66340501
   0.21398308  0.36986011  0.70675274
   0.29641163  0.20665353 -0.07260700
   0.03684648  0.16062150  0.89323086
   0.13103363  0.55756082  0.09973175
   0.38995105  0.67295307  0.26434042
   0.11858515  0.82659751  0.04742822
   0.37535532  0.91711749  0.34614184
   0.40856769  0.89271265  0.16584224
   0.16925377  0.81942434  0.23175514
   0.32637800  0.65434008  0.45462624
   0.07263565  0.60727808  0.42217555
   0.17869118  0.58436849  0.60222521
   0.30478263  0.70144211  0.77357005
   0.10485353  0.82403117  0.50961131
   0.36145324  0.99031269  0.80996836
   0.42538068  0.91543848  0.63148011
   0.16549759  0.91218481  0.68463692
   0.28688536  0.66390058 -0.02964975
   0.01511153  0.63633940  0.92732408
   0.59512351  0.07363258  0.10612338
   0.82745061  0.22050534  0.27293336
   0.59902193  0.32308370  0.02948539
   0.87297278  0.45585025  0.34955342
   0.01515012  0.38836983  0.21111632
   0.76932967  0.42558979  0.13976530
   0.77496296  0.16477241  0.46271142
   0.53380776  0.10389407  0.41979821
   0.63900011  0.06203371  0.60486014
   0.83021075  0.19800828  0.78381318
   0.56914751  0.31073032  0.51911062
   0.85865921  0.45241411  0.84112325
   0.97631076  0.43298694  0.63042311
   0.70536680  0.37237399  0.67528336
   0.78892912  0.12875178  0.97682520
   0.53640069  0.11821400  0.92160800
   0.57346671  0.57552855  0.06801398
   0.86945169  0.71237140  0.30850151
   0.60350761  0.84306315  0.02928491
   0.86120389  0.97026280  0.33689037
   0.91505639  0.88449194  0.16539543
   0.67489341  0.86170806  0.21325768
   0.82248964  0.62591000  0.48537934
   0.56548282  0.56573688  0.38767457
   0.60234675  0.59307389  0.56253361
   0.85345337  0.70901979  0.78237525
   0.61975249  0.82353997  0.43247660
   0.88846706  0.94590698  0.85446244
   0.91877107  0.87198949  0.65368760
   0.68111564  0.92549967  0.73667468
   0.76937630  0.64045468  0.95968097
   0.51595914  0.65674021  0.89446199
   0.60917389  0.79034530  0.59936342
   0.62924853  0.83268344  0.36396542
   0.89889788  0.19360665  0.11630619
   0.77457746  0.45858521  0.33994174
   0.30070575  0.11824508  0.64499599
   0.20640476  0.72813707  0.76868557
   0.04362253  1.12800230  0.15190031
   0.18151901  1.01792861  0.00816668
   0.61387132  0.35741973  0.83941076
   0.93386675  0.39512991  0.57721694
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938901    0.258715   -0.208510
    -0.000000    9.729369    0.072253
    -0.000000    0.000000   13.865577
   Si   O    H 
    32    64    10
Direct configuration=   660
   0.15843395  0.15332097 -0.02485192
   0.37652489  0.07916446  0.38208002
   0.12704327  0.38680785  0.12450846
   0.38672634  0.33554328  0.24376257
   0.12645141  0.17004849  0.48657963
   0.40242661  0.14345967  0.85508862
   0.13726332  0.42977374  0.61704528
   0.35838952  0.38728539  0.75110931
   0.13156578  0.66772048  0.01182926
   0.40461052  0.58053688  0.37178474
   0.07774284  0.90262339  0.15063492
   0.32839176  0.82187317  0.25709923
   0.17067437  0.67637410  0.50166287
   0.35603078  0.62283849  0.87279195
   0.04649522  0.92348746  0.59845052
   0.30484340  0.98813897  0.69805741
   0.62869359  0.15938458  1.01071769
   0.87322703  0.13347408  0.36781564
   0.61552219  0.43226674  0.11244070
   0.87565570  0.31209425  0.18136548
   0.62776785  0.15285387  0.50441818
   0.87709981  0.10644224  0.87867464
   0.58468981  0.43334948  0.60476178
   0.73997500  0.34898667  0.78874413
   0.61359901  0.68608293 -0.01558168
   0.91848567  0.60099707  0.39123493
   0.56510472  0.91055296  0.13541945
   0.82820995  0.85045826  0.25431386
   0.65605660  0.65446715  0.46276135
   0.86880213  0.61252291  0.87242330
   0.58269337  0.91334576  0.64257407
   0.83610217  0.87078290  0.75632852
   0.12139524  0.06090496  0.15845354
   0.36696724  0.17856513  0.29300787
   0.10359306  0.29370748  0.03322357
   0.36865831  0.42671977  0.34607693
   0.53263447  0.37555055  0.20635651
   0.28196917  0.34927198  0.16022495
   0.28370317  0.10687518  0.47366013
   0.03558944  0.16508105  0.38523322
   0.03187271  0.07715682  0.55057860
   0.42851055  0.23440288  0.76003268
   0.16444871  0.32516691  0.52349341
   0.35648780  0.46093048  0.85655667
   0.44474173  0.46038569  0.66282727
   0.21408611  0.36762231  0.70675889
   0.29438527  0.20575492 -0.07276370
   0.03726647  0.16001426  0.89514181
   0.12993025  0.55812210  0.10013438
   0.38946223  0.67236108  0.26393415
   0.11866086  0.82638875  0.04798536
   0.37549333  0.91741056  0.34584094
   0.40743429  0.89160520  0.16446913
   0.16990061  0.81931256  0.23099940
   0.32756105  0.65240103  0.45562811
   0.07197286  0.60533116  0.42185781
   0.17842473  0.58556858  0.60132328
   0.30213948  0.70022160  0.77367708
   0.10444453  0.82441645  0.50944922
   0.36225819  0.99043177  0.81008547
   0.42463223  0.91616307  0.63147631
   0.16664664  0.91348091  0.68335194
   0.28605497  0.66432947 -0.03057707
   0.01276527  0.63680864  0.92775403
   0.59588208  0.07429342  0.10677806
   0.82782033  0.22052729  0.27294699
   0.60102959  0.32413834  0.02922497
   0.87386923  0.45568602  0.34818081
   0.01469274  0.38592957  0.21136204
   0.77149871  0.42720006  0.14006646
   0.77455415  0.16528308  0.46137253
   0.53398079  0.10430272  0.42069749
   0.63809652  0.06228081  0.60493920
   0.82925031  0.19858998  0.78280760
   0.56863524  0.30974605  0.51815318
   0.85730746  0.45402396  0.84030788
   0.97320558  0.43310071  0.63141061
   0.70582934  0.37293904  0.67478801
   0.78719046  0.12905677  0.97617815
   0.53689670  0.11760356  0.92148858
   0.57260723  0.57472586  0.06966704
   0.86903589  0.71439875  0.30859786
   0.60543804  0.84412325  0.02970069
   0.86125589  0.96921943  0.33686894
   0.91514957  0.88234078  0.16608775
   0.67448655  0.86112682  0.21257448
   0.82447601  0.62609296  0.48546058
   0.56433153  0.56508080  0.38694279
   0.60262938  0.59240355  0.56378393
   0.85379660  0.70935443  0.78151879
   0.62010340  0.82260911  0.43128589
   0.88813532  0.94591625  0.85416547
   0.91872613  0.87057759  0.65348874
   0.67991152  0.92554205  0.73683180
   0.76878914  0.64128914  0.95866826
   0.51620742  0.65778776  0.89513186
   0.60772255  0.78720655  0.60070701
   0.62366092  0.82766532  0.36359731
   0.89934029  0.18619933  0.11569095
   0.77215466  0.45563487  0.33846453
   0.30206292  0.11428357  0.64227920
   0.21872224  0.73810665  0.76511912
   0.03774259  1.13234930  0.15175845
   0.18278064  1.01062708  0.00715698
   0.61075693  0.35530659  0.83763094
   0.93642084  0.38302124  0.57182215
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938444    0.260301   -0.208299
    -0.000000    9.727672    0.072815
    -0.000000    0.000000   13.867523
   Si   O    H 
    32    64    10
Direct configuration=   661
   0.15999102  0.15325552 -0.02424275
   0.37579609  0.08052234  0.38130047
   0.12667426  0.38779930  0.12416682
   0.38668060  0.33464320  0.24534981
   0.12672495  0.16954809  0.48596275
   0.40204155  0.14478461  0.85531130
   0.13925788  0.42890405  0.61632558
   0.36003987  0.38844098  0.75110752
   0.13146047  0.66732165  0.01147160
   0.40433295  0.58183786  0.37270122
   0.07712932  0.90047818  0.15082739
   0.32740293  0.82295353  0.25574667
   0.17039536  0.67651906  0.50231022
   0.35544170  0.62304426  0.87295139
   0.04627183  0.92323341  0.59875105
   0.30593128  0.98882892  0.69832689
   0.62994164  0.15961140  1.01203188
   0.87273808  0.13447998  0.36705512
   0.61605678  0.43115402  0.11297460
   0.87424047  0.31314661  0.18185150
   0.62854382  0.15262561  0.50372607
   0.87703647  0.10788022  0.87925381
   0.58390204  0.43229208  0.60482858
   0.74080892  0.35000980  0.78845979
   0.61255394  0.68635228 -0.01569727
   0.91831926  0.59933031  0.39092117
   0.56451231  0.91022082  0.13557253
   0.82703743  0.84878949  0.25340249
   0.65728321  0.65520976  0.46270055
   0.86923248  0.61146380  0.87230992
   0.58248010  0.91542546  0.64231659
   0.83562854  0.87075716  0.75692656
   0.12061454  0.06171038  0.15906661
   0.36679463  0.18065676  0.29457979
   0.10400908  0.29182474  0.03309074
   0.36916363  0.42558389  0.34659556
   0.53269694  0.37870762  0.20686764
   0.28351452  0.34906732  0.16067061
   0.28235996  0.10940658  0.47269521
   0.03668384  0.16448933  0.38638409
   0.03392946  0.07743278  0.55060479
   0.42832567  0.23425610  0.76000390
   0.16473538  0.32430926  0.52443022
   0.35453489  0.46028354  0.85576150
   0.44551653  0.45990686  0.66262815
   0.21457582  0.36513051  0.70714686
   0.29223833  0.20583834 -0.07349071
   0.03712327  0.15810386  0.89626840
   0.12868239  0.55806742  0.10055912
   0.38868841  0.67079728  0.26342711
   0.11891369  0.82578830  0.04861185
   0.37508940  0.91797413  0.34572811
   0.40652856  0.89076911  0.16294780
   0.17082660  0.81938322  0.22970218
   0.32731066  0.65213098  0.45657874
   0.07229406  0.60312182  0.42127866
   0.17810293  0.58751331  0.59957271
   0.30110028  0.69848682  0.77412244
   0.10375814  0.82508229  0.50915290
   0.36300598  0.99058680  0.80960258
   0.42319400  0.91663371  0.63169874
   0.16695017  0.91466053  0.68211424
   0.28434023  0.66438527 -0.03104225
   0.01058589  0.63741321  0.92870306
   0.59645951  0.07502762  0.10771202
   0.82814866  0.22079937  0.27268376
   0.60288411  0.32449557  0.02869682
   0.87447691  0.45525671  0.34707371
   0.01501546  0.38341843  0.21115549
   0.77378516  0.42831762  0.13966179
   0.77395270  0.16530044  0.46041902
   0.53387321  0.10376302  0.42078292
   0.63651219  0.06182502  0.60448745
   0.82765428  0.19860332  0.78189122
   0.56902943  0.30888799  0.51797971
   0.85514350  0.45631350  0.83927779
   0.97067709  0.43268300  0.63181542
   0.70663242  0.37456999  0.67381633
   0.78546152  0.12970386  0.97581912
   0.53603064  0.11742682  0.92141015
   0.57131313  0.57401138  0.07093113
   0.86891608  0.71569127  0.30884709
   0.60711342  0.84465350  0.03039624
   0.86061605  0.96965382  0.33724787
   0.91601334  0.88156147  0.16676219
   0.67420534  0.86018860  0.21217347
   0.82492383  0.62659726  0.48517838
   0.56354098  0.56428359  0.38649507
   0.60313381  0.59129696  0.56570966
   0.85393042  0.70910493  0.78051232
   0.61995174  0.82085630  0.43084650
   0.88848861  0.94533296  0.85359359
   0.91902405  0.86941944  0.65350683
   0.67881489  0.92519803  0.73721279
   0.76712571  0.64217108  0.95818495
   0.51703918  0.65824677  0.89480590
   0.60725035  0.78478802  0.60006603
   0.61754928  0.82176323  0.35358252
   0.90141711  0.18418760  0.11506170
   0.77459677  0.45270707  0.33756766
   0.30356897  0.11354883  0.64409973
   0.21445071  0.75522708  0.75984939
   0.03922019  1.13388731  0.15249424
   0.18602328  1.00632238  0.00613389
   0.60669274  0.35615773  0.83939500
   0.93772960  0.37409724  0.57022897
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938178    0.262053   -0.208468
    -0.000000    9.726178    0.073352
    -0.000000    0.000000   13.869533
   Si   O    H 
    32    64    10
Direct configuration=   662
   0.16145348  0.15340530 -0.02359257
   0.37588138  0.08122725  0.38104715
   0.12593081  0.38950901  0.12436324
   0.38704397  0.33352092  0.24711284
   0.12711577  0.16983739  0.48538662
   0.40254144  0.14526119  0.85524329
   0.14105748  0.42912298  0.61569128
   0.36163157  0.38988422  0.75056978
   0.13120284  0.66686618  0.01073142
   0.40381467  0.58270401  0.37327595
   0.07690015  0.89895902  0.15045427
   0.32620843  0.82387055  0.25459232
   0.17060863  0.67733590  0.50246045
   0.35464205  0.62348812  0.87299957
   0.04696463  0.92313434  0.59869364
   0.30733957  0.98925553  0.69917526
   0.63117075  0.15995688  1.01332552
   0.87241728  0.13466431  0.36617256
   0.61616806  0.42983360  0.11382036
   0.87369986  0.31341143  0.18234757
   0.62899565  0.15245668  0.50340564
   0.87754849  0.10910797  0.88006701
   0.58325279  0.43145041  0.60538331
   0.74214968  0.35105328  0.78823691
   0.61186804  0.68671184 -0.01546754
   0.91867499  0.59802529  0.39075978
   0.56410878  0.91038392  0.13546394
   0.82570876  0.84769455  0.25310992
   0.65820967  0.65599969  0.46300586
   0.86992157  0.61019149  0.87240110
   0.58291362  0.91784523  0.64197533
   0.83449410  0.87075084  0.75733480
   0.11937223  0.06289830  0.15971254
   0.36636294  0.18268161  0.29542089
   0.10420886  0.28983917  0.03314137
   0.36928773  0.42486014  0.34730866
   0.53331788  0.38164380  0.20774571
   0.28376600  0.34910938  0.16044410
   0.28154593  0.11115600  0.47189460
   0.03800124  0.16454410  0.38717602
   0.03600231  0.07766659  0.55074510
   0.42794432  0.23516176  0.76049002
   0.16413424  0.32376368  0.52455165
   0.35261968  0.45968808  0.85506117
   0.44698930  0.45927907  0.66239913
   0.21491936  0.36342669  0.70731043
   0.29092019  0.20586001 -0.07434277
   0.03637460  0.15592704  0.89719188
   0.12714782  0.55867299  0.10090392
   0.38757704  0.66878435  0.26306796
   0.11948723  0.82522235  0.04955800
   0.37510049  0.91837107  0.34594410
   0.40532452  0.89065914  0.16175312
   0.17127355  0.81913671  0.22891841
   0.32653296  0.65297083  0.45812101
   0.07254034  0.60096272  0.42074450
   0.17779510  0.58927285  0.59806103
   0.29969979  0.69698819  0.77441474
   0.10368308  0.82570631  0.50823344
   0.36354825  0.99062994  0.80918478
   0.42218685  0.91624793  0.63224540
   0.16613738  0.91558725  0.68140497
   0.28169028  0.66411848 -0.03135128
   0.00954340  0.63816805  0.92869411
   0.59644364  0.07533095  0.10888597
   0.82821261  0.22090264  0.27255841
   0.60411285  0.32427189  0.02777718
   0.87482449  0.45457897  0.34576354
   0.01495809  0.38043759  0.21048516
   0.77623256  0.42924317  0.13959305
   0.77312600  0.16493152  0.45899538
   0.53435932  0.10276718  0.42021300
   0.63504544  0.06146182  0.60367095
   0.82525424  0.19877928  0.78142880
   0.56996445  0.30911056  0.51794574
   0.85251303  0.45789619  0.83797656
   0.96888158  0.43204365  0.63204431
   0.70779128  0.37579752  0.67254919
   0.78508519  0.13023693  0.97534991
   0.53573001  0.11694157  0.92115763
   0.57005436  0.57325117  0.07208980
   0.86892532  0.71635872  0.30911845
   0.60800804  0.84544623  0.03091115
   0.85960893  0.96905823  0.33730001
   0.91739265  0.88063721  0.16670868
   0.67471958  0.85929832  0.21193173
   0.82565934  0.62693358  0.48515771
   0.56381596  0.56406201  0.38617615
   0.60401005  0.58975994  0.56720170
   0.85390187  0.70916697  0.77934851
   0.61924486  0.81907532  0.42959566
   0.88798724  0.94517384  0.85255179
   0.92000673  0.86919778  0.65305403
   0.67863219  0.92408217  0.73816554
   0.76458988  0.64303560  0.95795911
   0.51677510  0.65906066  0.89432390
   0.60863797  0.78498253  0.59841566
   0.60850486  0.81816404  0.34984766
   0.90585105  0.18720190  0.11743224
   0.77883684  0.45245676  0.33593149
   0.30434325  0.11741207  0.64777196
   0.21696406  0.76444863  0.75480633
   0.04701473  1.12707777  0.15347027
   0.18960578  1.00745073  0.00614494
   0.61074535  0.35721975  0.84115601
   0.94068004  0.37293051  0.57699711
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937832    0.263452   -0.209068
    -0.000000    9.724281    0.073511
    -0.000000    0.000000   13.871202
   Si   O    H 
    32    64    10
Direct configuration=   663
   0.16268082  0.15396623 -0.02292151
   0.37554129  0.08148478  0.38126838
   0.12544766  0.39147436  0.12457554
   0.38721845  0.33266419  0.24895135
   0.12784217  0.17067555  0.48491863
   0.40294576  0.14575654  0.85474564
   0.14216136  0.42887019  0.61503706
   0.36335192  0.39053306  0.74983349
   0.13056618  0.66689064  0.01026185
   0.40376539  0.58315711  0.37374230
   0.07668760  0.89772419  0.15006637
   0.32511196  0.82468757  0.25291228
   0.17127116  0.67852877  0.50207915
   0.35411465  0.62403045  0.87268797
   0.04802387  0.92346609  0.59850091
   0.30910415  0.98944030  0.69990594
   0.63195241  0.16021660  1.01478449
   0.87279269  0.13449599  0.36577011
   0.61606525  0.42878603  0.11488106
   0.87335498  0.31348131  0.18301372
   0.62853907  0.15291335  0.50350729
   0.87871650  0.10994759  0.88069557
   0.58240313  0.43083768  0.60553924
   0.74342572  0.35227999  0.78835149
   0.61149944  0.68684842 -0.01542041
   0.91877722  0.59761472  0.39057353
   0.56336757  0.91148770  0.13465089
   0.82424014  0.84689901  0.25358254
   0.65888850  0.65658299  0.46363441
   0.87016296  0.60906048  0.87274550
   0.58314396  0.91929466  0.64161963
   0.83292800  0.87035272  0.75773841
   0.11866794  0.06274129  0.16075253
   0.36577948  0.18371155  0.29575501
   0.10381132  0.28921517  0.03311938
   0.36953450  0.42375123  0.34798341
   0.53386716  0.38453669  0.20831771
   0.28337363  0.34912608  0.16001690
   0.27977744  0.11145022  0.47074440
   0.03889327  0.16427720  0.38780847
   0.03787036  0.07801874  0.55138977
   0.42750626  0.23569237  0.76089239
   0.16288907  0.32317406  0.52480430
   0.35021518  0.45960406  0.85461228
   0.44854002  0.45895560  0.66278246
   0.21467970  0.36108867  0.70775543
   0.28992098  0.20641748 -0.07523383
   0.03562161  0.15364019  0.89802733
   0.12600520  0.55908028  0.10051184
   0.38585244  0.66616448  0.26329666
   0.11902643  0.82628876  0.04984587
   0.37565154  0.91941563  0.34651907
   0.40480025  0.89078212  0.16063975
   0.17105317  0.81892349  0.22887110
   0.32535325  0.65456195  0.45942969
   0.07417947  0.59842993  0.42052037
   0.17781682  0.59081633  0.59715431
   0.29805215  0.69668677  0.77487052
   0.10342344  0.82677135  0.50774854
   0.36365371  0.99022643  0.80883074
   0.42156645  0.91560702  0.63325231
   0.16435775  0.91650526  0.68137515
   0.27981573  0.66321626 -0.03162570
   0.00866188  0.63798597  0.92869343
   0.59554992  0.07606259  0.10990524
   0.82840061  0.22028903  0.27253868
   0.60543048  0.32376657  0.02668976
   0.87455423  0.45353220  0.34407262
   0.01472503  0.37852871  0.20957812
   0.77815847  0.42994977  0.13939831
   0.77360192  0.16384903  0.45703659
   0.53424118  0.10090155  0.42009583
   0.63368452  0.06125350  0.60264110
   0.82285717  0.19902783  0.78092301
   0.57102697  0.30987448  0.51831175
   0.84977611  0.45820921  0.83680640
   0.96883585  0.43210384  0.63205266
   0.70967706  0.37723638  0.67167168
   0.78476398  0.13140798  0.97531636
   0.53569546  0.11672401  0.92091420
   0.56903284  0.57329848  0.07294413
   0.86886815  0.71615491  0.30996333
   0.60836435  0.84612871  0.03104493
   0.85791334  0.96917368  0.33738182
   0.92008106  0.88043237  0.16627810
   0.67548507  0.85809590  0.21154165
   0.82594088  0.62651206  0.48478373
   0.56494671  0.56369822  0.38639240
   0.60511887  0.58788711  0.56886699
   0.85380650  0.70844632  0.77839273
   0.61840192  0.81612241  0.42810131
   0.88719803  0.94598722  0.85146135
   0.92040057  0.86939408  0.65194200
   0.67815029  0.92188565  0.73939984
   0.76191436  0.64359787  0.95819116
   0.51581185  0.65951550  0.89370737
   0.61280880  0.78436384  0.59819191
   0.60109128  0.81501163  0.35511727
   0.90875656  0.19573392  0.12114897
   0.78024809  0.44712216  0.33472892
   0.30170121  0.12089948  0.65293103
   0.22480135  0.76556237  0.75102397
   0.04558779  1.12975423  0.15265042
   0.19405451  1.01179097  0.00519021
   0.61618061  0.35784376  0.84332913
   0.94294704  0.37260434  0.58371497
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937901    0.264523   -0.209169
    -0.000000    9.722339    0.074194
    -0.000000    0.000000   13.872737
   Si   O    H 
    32    64    10
Direct configuration=   664
   0.16356480  0.15428453 -0.02187650
   0.37514406  0.08096997  0.38158443
   0.12513346  0.39360031  0.12450057
   0.38809834  0.33167672  0.25074412
   0.12882790  0.17195258  0.48442418
   0.40304077  0.14525459  0.85482347
   0.14304662  0.42896889  0.61422020
   0.36532513  0.39066862  0.74933544
   0.12985570  0.66691924  0.00992683
   0.40370185  0.58324552  0.37419942
   0.07732810  0.89698690  0.14981013
   0.32474384  0.82577156  0.25153298
   0.17129361  0.67918153  0.50159563
   0.35423824  0.62438053  0.87243428
   0.04921773  0.92336710  0.59827572
   0.31034768  0.98962272  0.70073388
   0.63225063  0.16002544  1.01573507
   0.87323641  0.13373667  0.36562190
   0.61582904  0.42748631  0.11624819
   0.87368757  0.31279091  0.18419164
   0.62820134  0.15289660  0.50326661
   0.87990715  0.11105105  0.88060192
   0.58142511  0.42984409  0.60566593
   0.74463086  0.35244298  0.78832160
   0.61127527  0.68697899 -0.01490967
   0.91854764  0.59734085  0.39058630
   0.56267246  0.91225934  0.13396440
   0.82350653  0.84705824  0.25452124
   0.65898763  0.65753574  0.46395260
   0.87008073  0.60844689  0.87300129
   0.58396828  0.92012383  0.64146960
   0.83120628  0.87009390  0.75784900
   0.11909603  0.06140035  0.16168944
   0.36592512  0.18378974  0.29558273
   0.10349603  0.28906827  0.03363782
   0.36971916  0.42236577  0.34808834
   0.53493116  0.38730268  0.20866827
   0.28256502  0.34879628  0.16015700
   0.27742220  0.11180003  0.46973072
   0.03868401  0.16469732  0.38807164
   0.03916153  0.07851239  0.55219138
   0.42757632  0.23640546  0.76055993
   0.16100378  0.32259061  0.52525949
   0.34839793  0.45858922  0.85393875
   0.45011434  0.45838698  0.66426702
   0.21432109  0.35947142  0.70827701
   0.28917324  0.20747351 -0.07634774
   0.03468465  0.15130264  0.89810493
   0.12539541  0.55827549  0.10014286
   0.38372497  0.66388412  0.26384752
   0.11872498  0.82681500  0.04983080
   0.37581418  0.91989953  0.34680407
   0.40528574  0.89080404  0.15919109
   0.17050870  0.81824437  0.22874274
   0.32353997  0.65535239  0.46105084
   0.07743102  0.59555206  0.41999200
   0.17784505  0.59236102  0.59610029
   0.29703527  0.69621601  0.77587954
   0.10324447  0.82732415  0.50704057
   0.36399870  0.98978658  0.80856114
   0.42022581  0.91516750  0.63381011
   0.16312421  0.91675312  0.68140185
   0.27820420  0.66189629 -0.03217975
   0.00772409  0.63765870  0.92858223
   0.59457391  0.07629446  0.11126287
   0.82836368  0.21962379  0.27313072
   0.60626104  0.32273269  0.02602666
   0.87427111  0.45325340  0.34283557
   0.01484430  0.37669081  0.20960748
   0.77968265  0.43130392  0.13946752
   0.77502735  0.16350530  0.45450467
   0.53297020  0.09879813  0.42029687
   0.63235324  0.06105506  0.60118092
   0.82058473  0.20016409  0.78122652
   0.57153676  0.31108462  0.51863803
   0.84741012  0.45891716  0.83571407
   0.96998801  0.43233787  0.63263967
   0.71037494  0.37860038  0.67089620
   0.78349479  0.13313606  0.97505718
   0.53690807  0.11703099  0.92051905
   0.56863037  0.57385486  0.07348232
   0.86962923  0.71557959  0.31090923
   0.60857657  0.84579782  0.03050923
   0.85588883  0.96891953  0.33730916
   0.92238600  0.87963599  0.16577559
   0.67581826  0.85640317  0.21141752
   0.82621536  0.62627182  0.48431588
   0.56649448  0.56464766  0.38680341
   0.60616012  0.58628484  0.57011100
   0.85338023  0.70759216  0.77754010
   0.61747068  0.81269706  0.42626939
   0.88668371  0.94704401  0.85136819
   0.92045421  0.87054686  0.65132238
   0.67795123  0.91915495  0.74078029
   0.76002573  0.64417253  0.95798608
   0.51430489  0.65976442  0.89281401
   0.61520014  0.78479992  0.59794291
   0.59639658  0.81255943  0.36080877
   0.90885565  0.20510820  0.12078422
   0.77570861  0.44044335  0.33340689
   0.29783158  0.12515081  0.65854276
   0.23506318  0.75729341  0.75076586
   0.04189593  1.13641153  0.14974266
   0.19734387  1.01779304  0.00537309
   0.62305103  0.35902322  0.84497380
   0.93718946  0.36596908  0.58551158
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938657    0.265440   -0.208841
    -0.000000    9.720587    0.074650
    -0.000000    0.000000   13.873845
   Si   O    H 
    32    64    10
Direct configuration=   665
   0.16401244  0.15483947 -0.02104858
   0.37490837  0.08036222  0.38233957
   0.12497806  0.39592228  0.12402655
   0.38949301  0.33101292  0.25233537
   0.13022511  0.17309206  0.48459643
   0.40370144  0.14444202  0.85526289
   0.14376239  0.42940754  0.61312713
   0.36694451  0.39019100  0.74904033
   0.12848204  0.66692840  0.00989280
   0.40371795  0.58334570  0.37409026
   0.07851458  0.89664609  0.14961520
   0.32505262  0.82735479  0.25012954
   0.17168010  0.67949474  0.50111957
   0.35442033  0.62468201  0.87196366
   0.05004658  0.92404954  0.59808391
   0.31219601  0.98977099  0.70118871
   0.63287702  0.15981045  1.01616871
   0.87423444  0.13258237  0.36587044
   0.61615868  0.42669199  0.11730775
   0.87296167  0.31183117  0.18483685
   0.62821275  0.15325092  0.50282659
   0.88043881  0.11243093  0.88053640
   0.58114604  0.42862095  0.60569426
   0.74633383  0.35231289  0.78816322
   0.61120524  0.68770454 -0.01460213
   0.91881389  0.59731484  0.39101230
   0.56261151  0.91368187  0.13321134
   0.82280694  0.84783328  0.25536884
   0.65881677  0.65746606  0.46470187
   0.87015111  0.60877697  0.87293835
   0.58438469  0.92103604  0.64148570
   0.83014219  0.86918499  0.75757150
   0.11890643  0.06121296  0.16284703
   0.36552481  0.18361722  0.29478351
   0.10285373  0.28902267  0.03319330
   0.36869217  0.42120763  0.34855089
   0.53540271  0.38965021  0.20957962
   0.28122946  0.34803013  0.16055967
   0.27523882  0.11210446  0.46881512
   0.03680684  0.16434043  0.38827639
   0.04046348  0.07807168  0.55297813
   0.42795311  0.23726955  0.76026512
   0.15903936  0.32210218  0.52537211
   0.34675016  0.45744635  0.85325122
   0.45147168  0.45790941  0.66530563
   0.21396818  0.35755563  0.70905840
   0.28832315  0.20906231 -0.07745384
   0.03388646  0.14972680  0.89833793
   0.12457018  0.55737920  0.09958952
   0.38115967  0.66203794  0.26507409
   0.11865346  0.82756208  0.04966202
   0.37562487  0.92119515  0.34634868
   0.40608528  0.89059211  0.15822105
   0.16983997  0.81768512  0.22845720
   0.32267752  0.65587470  0.46187421
   0.08058680  0.59373052  0.41948140
   0.17807042  0.59333713  0.59568656
   0.29618866  0.69527488  0.77739183
   0.10328169  0.82772180  0.50621324
   0.36442245  0.99050553  0.80872796
   0.41822373  0.91427003  0.63423517
   0.16262095  0.91667763  0.68099972
   0.27635360  0.66116205 -0.03249305
   0.00632593  0.63780412  0.92895493
   0.59319704  0.07632057  0.11208881
   0.82815575  0.21872216  0.27385506
   0.60666167  0.32233077  0.02561849
   0.87413322  0.45287517  0.34163996
   0.01542563  0.37450008  0.20937607
   0.78086476  0.43273100  0.14001516
   0.77671912  0.16265338  0.45224509
   0.53254583  0.09731194  0.42033764
   0.63121683  0.06163987  0.59979951
   0.81772864  0.20136654  0.78169595
   0.57173673  0.31205117  0.51846705
   0.84541906  0.45980676  0.83428824
   0.97111776  0.43357186  0.63282182
   0.71040432  0.37907360  0.67018387
   0.78303401  0.13428963  0.97467507
   0.53759415  0.11634918  0.92090819
   0.56890336  0.57443386  0.07367466
   0.87014272  0.71534510  0.31179657
   0.60885897  0.84438417  0.03039061
   0.85460610  0.96922409  0.33761806
   0.92372650  0.87853351  0.16457207
   0.67684583  0.85543905  0.21166836
   0.82609854  0.62644602  0.48435632
   0.56847848  0.56599269  0.38700202
   0.60673471  0.58448506  0.57079401
   0.85299128  0.70646170  0.77690922
   0.61685710  0.81005318  0.42500670
   0.88636240  0.94741882  0.85134144
   0.91981873  0.87219046  0.65126178
   0.67775925  0.91655891  0.74230337
   0.75853443  0.64437840  0.95781361
   0.51308237  0.66001966  0.89194517
   0.61634902  0.78857294  0.59848847
   0.58936271  0.80988742  0.35888845
   0.90901639  0.20731690  0.11588905
   0.77747163  0.43412497  0.33396928
   0.29051254  0.13102286  0.66350232
   0.23261452  0.75787097  0.74747371
   0.04536602  1.13626822  0.15180109
   0.19986520  1.01894931  0.00438623
   0.63115423  0.35880155  0.84592258
   0.93121974  0.36215709  0.58711387
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940024    0.266003   -0.208228
    -0.000000    9.719103    0.075276
    -0.000000    0.000000   13.875110
   Si   O    H 
    32    64    10
Direct configuration=   666
   0.16378865  0.15608752 -0.02051278
   0.37514047  0.07957990  0.38303921
   0.12521093  0.39771511  0.12366055
   0.39054797  0.33083578  0.25413007
   0.13109080  0.17488867  0.48533765
   0.40475652  0.14322086  0.85604861
   0.14404212  0.42986402  0.61202638
   0.36793739  0.38970035  0.74879368
   0.12717630  0.66737098  0.00970793
   0.40417091  0.58317379  0.37344924
   0.07951757  0.89662629  0.14987462
   0.32591740  0.82861736  0.24905848
   0.17187578  0.67903080  0.50055598
   0.35471988  0.62465296  0.87171068
   0.05122608  0.92551072  0.59817962
   0.31321893  0.98958918  0.70157373
   0.63334076  0.15975242  1.01633921
   0.87530442  0.13185116  0.36614758
   0.61640022  0.42558179  0.11830871
   0.87232925  0.31086300  0.18560090
   0.62835210  0.15358079  0.50160652
   0.88015210  0.11348359  0.88017650
   0.58040845  0.42770149  0.60525933
   0.74749572  0.35212189  0.78748184
   0.61061238  0.68815061 -0.01411485
   0.91859319  0.59714928  0.39120985
   0.56331074  0.91506485  0.13269938
   0.82271213  0.84946034  0.25609053
   0.65838385  0.65690181  0.46532663
   0.87041514  0.60906942  0.87275360
   0.58493854  0.92151434  0.64186678
   0.82960595  0.86808150  0.75691207
   0.11873921  0.06077956  0.16420098
   0.36514562  0.18274412  0.29409055
   0.10222319  0.28830552  0.03341969
   0.36774416  0.42089225  0.34912578
   0.53563694  0.39024481  0.21028872
   0.27933089  0.34770866  0.16083516
   0.27387729  0.11243116  0.46782177
   0.03495757  0.16425881  0.38834817
   0.04189454  0.07760158  0.55355913
   0.42901174  0.23821913  0.76016084
   0.15762575  0.32144941  0.52542097
   0.34579840  0.45651488  0.85288378
   0.45169659  0.45719998  0.66633664
   0.21436028  0.35673573  0.70991497
   0.28867507  0.21028652 -0.07879014
   0.03323981  0.14837212  0.89844985
   0.12443299  0.55701137  0.09844605
   0.37857482  0.66077121  0.26611762
   0.11840068  0.82780560  0.04931803
   0.37532518  0.92283827  0.34550153
   0.40694436  0.88965298  0.15759547
   0.16895180  0.81746523  0.22805791
   0.32213973  0.65648666  0.46230855
   0.08335896  0.59132079  0.41940612
   0.17778440  0.59392241  0.59604347
   0.29479852  0.69421127  0.77857434
   0.10333609  0.82766791  0.50558301
   0.36496309  0.99182851  0.80922293
   0.41764540  0.91345667  0.63474686
   0.16282932  0.91683841  0.68087927
   0.27461159  0.66021967 -0.03275332
   0.00623355  0.63748446  0.92982231
   0.59161829  0.07660038  0.11343310
   0.82794048  0.21799752  0.27393792
   0.60692143  0.32281169  0.02553363
   0.87440904  0.45277195  0.34120547
   0.01703341  0.37194828  0.20888500
   0.78165963  0.43388818  0.13998107
   0.77829744  0.16170640  0.44990127
   0.53186028  0.09602699  0.42055657
   0.63048133  0.06257070  0.59839536
   0.81586637  0.20263931  0.78281069
   0.57167992  0.31312343  0.51840427
   0.84368033  0.46007029  0.83309039
   0.97241381  0.43413748  0.63300092
   0.71064412  0.37956849  0.67056959
   0.78305360  0.13585069  0.97466838
   0.53856097  0.11549999  0.92151724
   0.56905029  0.57622924  0.07398375
   0.87130208  0.71516904  0.31265045
   0.60872485  0.84295526  0.03050570
   0.85317627  0.96868076  0.33774415
   0.92473716  0.87823615  0.16404433
   0.67720701  0.85443275  0.21181232
   0.82604369  0.62697192  0.48432186
   0.57084109  0.56713631  0.38737089
   0.60686324  0.58317037  0.57119257
   0.85188742  0.70519413  0.77547159
   0.61694712  0.80762397  0.42453444
   0.88696589  0.94740212  0.85136758
   0.91913068  0.87379696  0.65133506
   0.67742140  0.91450240  0.74306343
   0.75782008  0.64460998  0.95730143
   0.51170954  0.66020495  0.89083552
   0.61513018  0.79359100  0.59966768
   0.58446133  0.80861802  0.34856062
   0.91170574  0.20408322  0.11238763
   0.78080504  0.43295603  0.33394009
   0.27928102  0.13593371  0.66698104
   0.22465459  0.76186603  0.74542540
   0.05149746  1.13276848  0.15530521
   0.20101165  1.01285940  0.00398579
   0.63444272  0.35927384  0.84623230
   0.92938302  0.36434986  0.59279193
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941186    0.266289   -0.207497
    -0.000000    9.717889    0.075755
    -0.000000    0.000000   13.875689
   Si   O    H 
    32    64    10
Direct configuration=   667
   0.16314300  0.15715375 -0.02058369
   0.37526650  0.07916444  0.38345178
   0.12609698  0.39929425  0.12359101
   0.39124630  0.33114413  0.25533883
   0.13129859  0.17660492  0.48619623
   0.40558996  0.14099955  0.85712457
   0.14375695  0.43030898  0.61134387
   0.36813032  0.38909992  0.74880153
   0.12591188  0.66795994  0.00958443
   0.40459813  0.58320286  0.37260681
   0.08052655  0.89713715  0.15016498
   0.32735359  0.82886296  0.24837724
   0.17262489  0.67906339  0.50002866
   0.35461788  0.62497795  0.87158539
   0.05179427  0.92696588  0.59853084
   0.31350445  0.99004519  0.70199752
   0.63371227  0.15930065  1.01633614
   0.87645809  0.13105311  0.36571484
   0.61642860  0.42507158  0.11904565
   0.87223630  0.30941900  0.18635147
   0.62879206  0.15439102  0.50034823
   0.88069483  0.11472684  0.87943043
   0.57984007  0.42688642  0.60471643
   0.74885940  0.35208647  0.78633376
   0.61007620  0.68801373 -0.01342996
   0.91868975  0.59678010  0.39092465
   0.56396548  0.91617975  0.13203473
   0.82333215  0.85115206  0.25743006
   0.65836394  0.65649130  0.46632487
   0.87025034  0.60939657  0.87261501
   0.58541731  0.92133018  0.64253697
   0.82959366  0.86697579  0.75646520
   0.11772650  0.06055245  0.16543859
   0.36492103  0.18081840  0.29340153
   0.10158181  0.28818819  0.03350844
   0.36601733  0.42085383  0.34993458
   0.53507120  0.39005246  0.21162678
   0.27788544  0.34856269  0.16198935
   0.27328843  0.11207965  0.46687997
   0.03322452  0.16469264  0.38824034
   0.04270296  0.07709148  0.55396364
   0.43059836  0.23950909  0.76008387
   0.15634397  0.32224631  0.52510293
   0.34492856  0.45651996  0.85206411
   0.45145540  0.45703155  0.66711617
   0.21501528  0.35628743  0.71094439
   0.29002828  0.21134808 -0.07998774
   0.03337282  0.14794907  0.89840364
   0.12427476  0.55688252  0.09693929
   0.37573828  0.65950037  0.26799212
   0.11798666  0.82752599  0.04895752
   0.37402272  0.92402738  0.34425093
   0.40673041  0.88883620  0.15732840
   0.16883381  0.81686529  0.22830085
   0.32174692  0.65768068  0.46290941
   0.08547548  0.58914527  0.41933066
   0.17688564  0.59428732  0.59657838
   0.29262411  0.69391147  0.77929288
   0.10394477  0.82799924  0.50527402
   0.36644744  0.99316623  0.81064291
   0.41809509  0.91286307  0.63552426
   0.16281951  0.91701584  0.68153877
   0.27327085  0.65957363 -0.03382986
   0.00637296  0.63680354  0.93173154
   0.59012317  0.07667836  0.11448120
   0.82773218  0.21700035  0.27429342
   0.60766950  0.32360668  0.02605668
   0.87466355  0.45277502  0.34078929
   0.01902578  0.37001229  0.20845583
   0.78114710  0.43536264  0.13950662
   0.77894733  0.16064892  0.44885400
   0.53013611  0.09450377  0.42003211
   0.63024022  0.06353079  0.59662198
   0.81377366  0.20318516  0.78432892
   0.57158014  0.31334635  0.51896981
   0.84237949  0.46016479  0.83281565
   0.97344173  0.43513770  0.63335675
   0.71092523  0.37975416  0.67057853
   0.78334539  0.13653818  0.97490690
   0.53972490  0.11539264  0.92207647
   0.56894779  0.57855425  0.07422238
   0.87213305  0.71460878  0.31318131
   0.60865004  0.84168677  0.03063198
   0.85128666  0.96795835  0.33801586
   0.92583897  0.87756334  0.16382040
   0.67667358  0.85336119  0.21248733
   0.82591105  0.62808589  0.48404186
   0.57298553  0.56809628  0.38775430
   0.60759590  0.58173827  0.57109644
   0.85120565  0.70447751  0.77480583
   0.61780349  0.80554999  0.42362154
   0.88759208  0.94753933  0.85186014
   0.91714131  0.87572022  0.65120080
   0.67658180  0.91260759  0.74375276
   0.75791701  0.64402412  0.95689960
   0.51103595  0.66040412  0.88932843
   0.61448331  0.79214437  0.59863154
   0.58278255  0.80999420  0.34942044
   0.91360007  0.20212585  0.10986009
   0.77971968  0.43120338  0.33543466
   0.27358455  0.13704627  0.67209554
   0.22090278  0.75762283  0.74788711
   0.05427898  1.13136798  0.15611912
   0.20278918  1.00756174  0.00364839
   0.63000755  0.36013502  0.84503667
   0.92559617  0.36688591  0.59946411
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942313    0.266216   -0.206342
    -0.000000    9.716932    0.076202
    -0.000000    0.000000   13.876052
   Si   O    H 
    32    64    10
Direct configuration=   668
   0.16216271  0.15775086 -0.02108490
   0.37582409  0.07856148  0.38397807
   0.12702248  0.40018080  0.12380126
   0.39173064  0.33198231  0.25627480
   0.13077474  0.17827717  0.48700387
   0.40678539  0.13907858  0.85799458
   0.14365137  0.43098293  0.61137904
   0.36799484  0.38835728  0.74888383
   0.12565484  0.66905442  0.00946392
   0.40513234  0.58369350  0.37180764
   0.08136366  0.89790942  0.15067655
   0.32905808  0.82912070  0.24765611
   0.17352322  0.67900008  0.49928473
   0.35413107  0.62556645  0.87152103
   0.05209841  0.92790616  0.59877641
   0.31302879  0.99087426  0.70231854
   0.63400681  0.15907512  1.01606042
   0.87790747  0.13019670  0.36519830
   0.61675239  0.42459074  0.11945298
   0.87301932  0.30758144  0.18680850
   0.62963776  0.15504238  0.49893894
   0.88091906  0.11575470  0.87886460
   0.57997589  0.42628952  0.60391985
   0.75046895  0.35246712  0.78532029
   0.60905433  0.68780646 -0.01284103
   0.91880214  0.59556185  0.39104586
   0.56487791  0.91712199  0.13127425
   0.82466013  0.85246848  0.25856370
   0.65802768  0.65557226  0.46751101
   0.87008033  0.61026588  0.87268092
   0.58637926  0.92089886  0.64342596
   0.83019957  0.86549729  0.75585883
   0.11665230  0.06022386  0.16646376
   0.36402383  0.17894641  0.29224761
   0.10053205  0.28817426  0.03406168
   0.36443650  0.42101799  0.35080537
   0.53422655  0.38970214  0.21284979
   0.27747570  0.34970308  0.16329893
   0.27295369  0.11164136  0.46598783
   0.03176143  0.16541041  0.38779656
   0.04353425  0.07696245  0.55393918
   0.43240263  0.24016738  0.76024857
   0.15450210  0.32352336  0.52478653
   0.34399142  0.45632984  0.85147370
   0.45085730  0.45735563  0.66790401
   0.21488887  0.35564155  0.71144611
   0.29183611  0.21325195 -0.08125482
   0.03346698  0.14683712  0.89835782
   0.12447392  0.55776245  0.09543803
   0.37408071  0.65853836  0.26947991
   0.11639903  0.82659970  0.04848095
   0.37245787  0.92511816  0.34284936
   0.40633100  0.88732118  0.15710737
   0.16906258  0.81602486  0.22899352
   0.32168527  0.65948887  0.46292522
   0.08656193  0.58769829  0.41940038
   0.17536075  0.59383648  0.59709182
   0.29068197  0.69392582  0.77946512
   0.10420739  0.82885242  0.50489981
   0.36785572  0.99425607  0.81259594
   0.42023380  0.91185919  0.63590885
   0.16273287  0.91646985  0.68293285
   0.27238084  0.65825341 -0.03485256
   0.00620029  0.63654601  0.93387742
   0.58864682  0.07710907  0.11498116
   0.82784356  0.21675969  0.27504279
   0.60868324  0.32507062  0.02700222
   0.87479201  0.45297066  0.34056149
   0.02136274  0.36806814  0.20824034
   0.78090525  0.43651534  0.13860066
   0.77939870  0.16077111  0.44821931
   0.52894717  0.09281935  0.41937117
   0.63029322  0.06508799  0.59513643
   0.81144277  0.20197955  0.78585222
   0.57140046  0.31255500  0.52018524
   0.84235494  0.46078863  0.83274439
   0.97557757  0.43511816  0.63344723
   0.71119092  0.37989656  0.67124680
   0.78382841  0.13648610  0.97495539
   0.54111756  0.11533227  0.92348012
   0.56814788  0.58107711  0.07419047
   0.87245079  0.71412559  0.31364595
   0.60853653  0.83978602  0.03111310
   0.84956975  0.96808387  0.33864721
   0.92591032  0.87679118  0.16381960
   0.67618069  0.85336025  0.21284152
   0.82608893  0.62907620  0.48428556
   0.57554194  0.56841465  0.38769807
   0.60764904  0.58074763  0.57055271
   0.85046190  0.70383638  0.77526111
   0.61814875  0.80426763  0.42271641
   0.88788823  0.94822322  0.85267867
   0.91464621  0.87747246  0.65118595
   0.67490694  0.91076080  0.74408909
   0.75855209  0.64338470  0.95674443
   0.51107061  0.66084800  0.88845997
   0.61413951  0.78760983  0.59781893
   0.58514516  0.81352811  0.35761309
   0.91239510  0.20361099  0.11302121
   0.78302482  0.42930336  0.33820232
   0.27131945  0.13387248  0.68040793
   0.22435482  0.74880211  0.75342260
   0.04644236  1.14160469  0.15601246
   0.20349792  1.00865491  0.00343343
   0.62369399  0.36219398  0.84257736
   0.91743857  0.36178172  0.60325383
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942937    0.265321   -0.205708
    -0.000000    9.715894    0.076312
    -0.000000    0.000000   13.876336
   Si   O    H 
    32    64    10
Direct configuration=   669
   0.16168676  0.15839736 -0.02129817
   0.37604374  0.07767493  0.38509125
   0.12841779  0.40082542  0.12390499
   0.39238703  0.33302362  0.25654756
   0.12985587  0.17897042  0.48760061
   0.40811471  0.13755569  0.85844659
   0.14328244  0.43103859  0.61182478
   0.36747305  0.38717031  0.74890320
   0.12525984  0.67025511  0.00918245
   0.40576542  0.58331063  0.37119779
   0.08221313  0.89943916  0.15064165
   0.33119150  0.82934249  0.24748146
   0.17396180  0.67901010  0.49781125
   0.35323717  0.62625359  0.87152039
   0.05218633  0.92803951  0.59849405
   0.31239588  0.99188458  0.70225385
   0.63493948  0.15911793  1.01541235
   0.87881436  0.12846881  0.36492226
   0.61686854  0.42444416  0.11979720
   0.87350659  0.30599514  0.18702152
   0.63066657  0.15635104  0.49767086
   0.88098634  0.11621189  0.87830286
   0.58015256  0.42511631  0.60305428
   0.75160433  0.35286732  0.78481854
   0.60782086  0.68736938 -0.01214149
   0.91894731  0.59475939  0.39100005
   0.56494967  0.91788751  0.13012561
   0.82643360  0.85412896  0.25998581
   0.65771568  0.65512022  0.46903666
   0.86995154  0.61150743  0.87311055
   0.58731973  0.92040591  0.64441462
   0.83134066  0.86461699  0.75521312
   0.11532223  0.06104934  0.16742380
   0.36348147  0.17776065  0.29154513
   0.10012893  0.28890135  0.03556808
   0.36266424  0.42202111  0.35163614
   0.53356530  0.38957200  0.21431840
   0.27771388  0.35074867  0.16476013
   0.27253146  0.11068167  0.46512166
   0.03080702  0.16568842  0.38726537
   0.04513549  0.07739762  0.55487437
   0.43479056  0.24013929  0.76042465
   0.15272249  0.32548717  0.52384789
   0.34292987  0.45663584  0.85135710
   0.44970297  0.45760063  0.66872940
   0.21439128  0.35530128  0.71170326
   0.29366797  0.21521197 -0.08214942
   0.03364139  0.14668847  0.89872093
   0.12414891  0.55877552  0.09400167
   0.37225446  0.65880275  0.27081409
   0.11487791  0.82592510  0.04763666
   0.37105189  0.92598993  0.34152679
   0.40570759  0.88637664  0.15668246
   0.16916594  0.81534382  0.22955912
   0.32257459  0.66068837  0.46287918
   0.08717410  0.58624500  0.41917906
   0.17376403  0.59295420  0.59748380
   0.29020475  0.69413604  0.77965656
   0.10471814  0.83016077  0.50481216
   0.36929628  0.99506426  0.81463962
   0.42235287  0.91144778  0.63653889
   0.16276770  0.91566445  0.68508887
   0.27143906  0.65656845 -0.03614427
   0.00641285  0.63686827  0.93523241
   0.58738717  0.07742801  0.11573064
   0.82698491  0.21642224  0.27478922
   0.60926095  0.32611614  0.02769797
   0.87581876  0.45259324  0.34019105
   0.02441960  0.36625439  0.20794805
   0.78141341  0.43768725  0.13810407
   0.77937654  0.16063532  0.44836843
   0.52793293  0.09128798  0.41866633
   0.63009114  0.06633286  0.59387145
   0.81052906  0.20026163  0.78681393
   0.57117600  0.31097682  0.52132124
   0.84214867  0.46169553  0.83319615
   0.97764577  0.43418914  0.63293812
   0.71212437  0.38009093  0.67225799
   0.78426557  0.13650187  0.97499432
   0.54234056  0.11510214  0.92402264
   0.56724383  0.58304055  0.07419359
   0.87351554  0.71424461  0.31433489
   0.60850321  0.83834730  0.03147203
   0.84752534  0.96845861  0.33916715
   0.92543693  0.87521266  0.16380515
   0.67601717  0.85412587  0.21286386
   0.82633469  0.62958843  0.48490404
   0.57724931  0.56856274  0.38736297
   0.60833424  0.58040528  0.56901317
   0.85012105  0.70308355  0.77634320
   0.61915506  0.80305589  0.42228323
   0.88714095  0.94820874  0.85268988
   0.91231521  0.87925907  0.65158382
   0.67355926  0.90880634  0.74432255
   0.75865155  0.64260335  0.95656007
   0.51057184  0.66180949  0.88786837
   0.61429929  0.78531294  0.59721414
   0.58273109  0.82016703  0.36008333
   0.90723432  0.20466180  0.11752592
   0.77696045  0.42691272  0.34280818
   0.27197040  0.12881759  0.68933157
   0.21225247  0.75049325  0.75596929
   0.04170964  1.14120069  0.15700825
   0.20341353  1.01231874  0.00571256
   0.62110081  0.36331336  0.83958389
   0.91529350  0.35750291  0.60927518
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943442    0.264504   -0.204806
    -0.000000    9.715271    0.076958
    -0.000000    0.000000   13.876606
   Si   O    H 
    32    64    10
Direct configuration=   670
   0.16088382  0.15888217 -0.02166919
   0.37646076  0.07723625  0.38589024
   0.12989758  0.40140029  0.12359563
   0.39331564  0.33387449  0.25679014
   0.12915899  0.17931845  0.48792680
   0.40948328  0.13640347  0.85875584
   0.14208028  0.43070866  0.61269990
   0.36689686  0.38652259  0.74879827
   0.12489984  0.67094612  0.00885914
   0.40656303  0.58195740  0.37063062
   0.08271621  0.90112796  0.15043356
   0.33306237  0.82978513  0.24757710
   0.17396427  0.67857768  0.49643761
   0.35284469  0.62660471  0.87185514
   0.05191764  0.92764388  0.59819291
   0.31201724  0.99233238  0.70250465
   0.63610494  0.15946632  1.01475664
   0.87978692  0.12681683  0.36452351
   0.61731851  0.42466928  0.11980618
   0.87464095  0.30487006  0.18722051
   0.63179670  0.15741379  0.49653955
   0.88091789  0.11629171  0.87790315
   0.58072151  0.42399275  0.60266885
   0.75219496  0.35294551  0.78405108
   0.60653536  0.68700443 -0.01165203
   0.91931104  0.59372751  0.39083287
   0.56521031  0.91878921  0.12899698
   0.82875956  0.85561520  0.26101547
   0.65749284  0.65477762  0.47094446
   0.87017229  0.61272882  0.87360742
   0.58807677  0.92011516  0.64517891
   0.83279982  0.86342350  0.75444969
   0.11383364  0.06246299  0.16774000
   0.36314747  0.17715128  0.29068010
   0.09920904  0.28988769  0.03704118
   0.36047856  0.42330216  0.35255295
   0.53322604  0.38906990  0.21513507
   0.27774611  0.35243536  0.16585386
   0.27274091  0.10992172  0.46410356
   0.03027640  0.16519054  0.38693198
   0.04676241  0.07831653  0.55576215
   0.43690558  0.23860508  0.76048691
   0.15153349  0.32727943  0.52279063
   0.34190386  0.45734223  0.85150765
   0.44867965  0.45861907  0.66862510
   0.21441181  0.35471837  0.71205203
   0.29464831  0.21695234 -0.08259820
   0.03445581  0.14666403  0.89883811
   0.12339544  0.55912461  0.09254563
   0.37037131  0.65938745  0.27159201
   0.11400107  0.82576099  0.04725211
   0.36998367  0.92591473  0.33996894
   0.40496205  0.88606050  0.15657841
   0.16903152  0.81495793  0.23054308
   0.32415376  0.66210523  0.46220003
   0.08705019  0.58484171  0.41900317
   0.17236391  0.59132667  0.59762098
   0.28997278  0.69528038  0.77922647
   0.10488315  0.83048068  0.50489363
   0.36940162  0.99448900  0.81612414
   0.42448966  0.91093853  0.63662970
   0.16429404  0.91503895  0.68732106
   0.27032571  0.65543722 -0.03714036
   0.00657909  0.63808146  0.93641273
   0.58599763  0.07778184  0.11607955
   0.82572350  0.21577980  0.27365407
   0.60942588  0.32632393  0.02837463
   0.87629090  0.45229293  0.34055636
   0.02769614  0.36430957  0.20752742
   0.78205815  0.43832520  0.13794140
   0.77828856  0.16094119  0.44900262
   0.52722913  0.09171738  0.41783286
   0.62967387  0.06775160  0.59278514
   0.80962391  0.19877134  0.78724290
   0.57083877  0.30972832  0.52170827
   0.84239473  0.46215345  0.83413001
   0.97972271  0.43313595  0.63234490
   0.71313864  0.37997978  0.67349255
   0.78501948  0.13610498  0.97541755
   0.54343001  0.11573703  0.92476914
   0.56608673  0.58482306  0.07421160
   0.87410472  0.71362340  0.31482640
   0.60890918  0.83798475  0.03090244
   0.84589259  0.96888221  0.33950992
   0.92375660  0.87365328  0.16358457
   0.67560181  0.85467677  0.21260142
   0.82632971  0.63037450  0.48531323
   0.57789877  0.56884794  0.38675649
   0.60856667  0.58063860  0.56666411
   0.84836845  0.70155561  0.77708195
   0.62024381  0.80232421  0.42228952
   0.88598781  0.94842927  0.85217281
   0.91028007  0.88043268  0.65181123
   0.67261098  0.90762179  0.74475623
   0.75880202  0.64206790  0.95522441
   0.51053875  0.66305559  0.88773329
   0.61511734  0.78402519  0.59694488
   0.57626172  0.82596515  0.35466801
   0.89885143  0.20320207  0.11884803
   0.77657005  0.42710904  0.34546970
   0.27332671  0.13004816  0.69252193
   0.20600080  0.74840807  0.75954010
   0.04735547  1.13161526  0.15593200
   0.20487807  1.01961051  0.00832809
   0.62015604  0.36264844  0.83527242
   0.91697133  0.36081336  0.61675315
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944153    0.263158   -0.203344
    -0.000000    9.714310    0.077548
    -0.000000    0.000000   13.876448
   Si   O    H 
    32    64    10
Direct configuration=   671
   0.16043546  0.15957240 -0.02211676
   0.37722010  0.07757525  0.38618554
   0.13149975  0.40204333  0.12317362
   0.39379843  0.33456917  0.25680783
   0.12826088  0.18024449  0.48795025
   0.41121898  0.13637538  0.85891269
   0.14077983  0.42986530  0.61347532
   0.36565760  0.38579986  0.74850551
   0.12544543  0.67184971  0.00867863
   0.40782058  0.58070918  0.37001453
   0.08316313  0.90355099  0.15016537
   0.33473614  0.82944568  0.24813090
   0.17355000  0.67804769  0.49505509
   0.35258081  0.62641677  0.87227948
   0.05169275  0.92735364  0.59828921
   0.31119988  0.99302164  0.70220204
   0.63714721  0.15985405  1.01438112
   0.88091643  0.12536412  0.36427393
   0.61733197  0.42527258  0.11999830
   0.87568292  0.30398516  0.18750937
   0.63215062  0.15763715  0.49511516
   0.88049411  0.11680066  0.87790585
   0.58121085  0.42251475  0.60241735
   0.75251430  0.35324503  0.78316581
   0.60529042  0.68646729 -0.01153594
   0.92036688  0.59273774  0.39120461
   0.56593186  0.91965095  0.12772478
   0.83075652  0.85634627  0.26148662
   0.65685781  0.65469038  0.47240712
   0.87014501  0.61383917  0.87416675
   0.58929250  0.91971358  0.64523378
   0.83412228  0.86270398  0.75392938
   0.11275054  0.06341265  0.16772532
   0.36275421  0.17630042  0.28970056
   0.09857893  0.29080803  0.03874971
   0.35885958  0.42454076  0.35349524
   0.53258164  0.38830683  0.21599853
   0.27827465  0.35412421  0.16661733
   0.27279798  0.10871585  0.46349571
   0.03041398  0.16519181  0.38712660
   0.04757757  0.07931866  0.55696177
   0.43891955  0.23681985  0.76151793
   0.15100306  0.32876029  0.52201086
   0.34165426  0.45870142  0.85146448
   0.44792713  0.45995749  0.66823736
   0.21473847  0.35553756  0.71188777
   0.29485071  0.21791067 -0.08217476
   0.03583563  0.14602342  0.89910524
   0.12261749  0.55908927  0.09104100
   0.36918843  0.66026521  0.27223047
   0.11279893  0.82648118  0.04679881
   0.36854798  0.92550875  0.33874840
   0.40522816  0.88633283  0.15676502
   0.16866978  0.81512279  0.23166044
   0.32620220  0.66283034  0.46136638
   0.08587062  0.58382205  0.41890399
   0.17071743  0.58908492  0.59697994
   0.28847111  0.69695778  0.77809629
   0.10445958  0.83031856  0.50570805
   0.36976909  0.99357434  0.81709109
   0.42578227  0.91029621  0.63722497
   0.16538192  0.91454175  0.68958618
   0.26902223  0.65404617 -0.03759013
   0.00623509  0.63850457  0.93701015
   0.58450859  0.07903537  0.11598231
   0.82408268  0.21474551  0.27273880
   0.60928961  0.32625989  0.02894255
   0.87645309  0.45123346  0.34072627
   0.03012819  0.36315013  0.20712329
   0.78274382  0.43871277  0.13764381
   0.77675359  0.16127382  0.44996475
   0.52762792  0.09283325  0.41741665
   0.63015299  0.06959644  0.59200939
   0.80862313  0.19696140  0.78742468
   0.57093309  0.30886505  0.52244443
   0.84367498  0.46162285  0.83582026
   0.98171152  0.43162295  0.63204979
   0.71399967  0.37957993  0.67376648
   0.78593133  0.13498330  0.97583716
   0.54408059  0.11568471  0.92550160
   0.56577273  0.58589477  0.07452002
   0.87482498  0.71345768  0.31500155
   0.60844502  0.83870180  0.03007447
   0.84404964  0.96982632  0.34021570
   0.92152235  0.87160039  0.16320829
   0.67464368  0.85580229  0.21207037
   0.82564338  0.62993770  0.48549777
   0.57774268  0.56967725  0.38599223
   0.60814415  0.58000386  0.56440242
   0.84697566  0.69980374  0.77760187
   0.62152116  0.80188280  0.42213378
   0.88491848  0.94849825  0.85181766
   0.90927113  0.88254584  0.65167212
   0.67187079  0.90646448  0.74586144
   0.75854484  0.64230016  0.95348083
   0.51054746  0.66437086  0.88859029
   0.61533359  0.78817136  0.59944275
   0.57370342  0.83029188  0.35718491
   0.89318565  0.19773478  0.11774134
   0.78313200  0.42929631  0.34664543
   0.27230761  0.13911495  0.69344349
   0.20601984  0.74584836  0.76548384
   0.04236540  1.12986900  0.15240582
   0.20893035  1.02686717  0.01189497
   0.62428693  0.35911670  0.83062090
   0.91799382  0.36724984  0.62062884
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944815    0.262000   -0.201668
    -0.000000    9.713831    0.078145
    -0.000000    0.000000   13.876095
   Si   O    H 
    32    64    10
Direct configuration=   672
   0.16098080  0.16046622 -0.02300914
   0.37799237  0.07742974  0.38634062
   0.13309398  0.40238308  0.12298482
   0.39238501  0.33561442  0.25641439
   0.12660559  0.18049608  0.48804455
   0.41251209  0.13658148  0.85919144
   0.13965487  0.42898311  0.61462799
   0.36469993  0.38610157  0.74817351
   0.12596032  0.67293034  0.00857001
   0.40909382  0.57933961  0.36976267
   0.08310410  0.90568198  0.14990104
   0.33548500  0.82911746  0.24890548
   0.17324253  0.67749690  0.49369249
   0.35230039  0.62574101  0.87216827
   0.05169703  0.92652321  0.59849865
   0.30992554  0.99299646  0.70203125
   0.63810115  0.15957593  1.01366927
   0.88187834  0.12426086  0.36438111
   0.61729562  0.42661613  0.12008020
   0.87654127  0.30384329  0.18738532
   0.63233997  0.15761101  0.49372315
   0.88034786  0.11743022  0.87805104
   0.58154378  0.42099421  0.60181273
   0.75347197  0.35356734  0.78214736
   0.60461587  0.68586915 -0.01177225
   0.92155803  0.59201018  0.39150647
   0.56697069  0.91966615  0.12681517
   0.83240585  0.85728536  0.26150794
   0.65674034  0.65425143  0.47359434
   0.86994333  0.61500248  0.87502137
   0.58969458  0.91941312  0.64444431
   0.83536709  0.86235622  0.75354727
   0.11243131  0.06379969  0.16711526
   0.36307625  0.17597114  0.28875958
   0.09794458  0.29220954  0.04058174
   0.35779792  0.42597782  0.35477480
   0.53265702  0.38760928  0.21670952
   0.27853978  0.35643590  0.16736032
   0.27264234  0.10805669  0.46275646
   0.03082447  0.16510712  0.38817747
   0.04839360  0.08072434  0.55813923
   0.44112492  0.23438223  0.76304516
   0.14996619  0.32906359  0.52156527
   0.34225619  0.46008419  0.85153953
   0.44834596  0.46142099  0.66784801
   0.21345288  0.35668170  0.71095611
   0.29388298  0.21843621 -0.08190170
   0.03751969  0.14532265  0.89880082
   0.12173376  0.55909947  0.08999267
   0.36842769  0.66216225  0.27193670
   0.11151879  0.82694974  0.04647561
   0.36707040  0.92443664  0.33756766
   0.40523218  0.88641728  0.15699780
   0.16872601  0.81483063  0.23299975
   0.32894426  0.66323676  0.46081758
   0.08463995  0.58248526  0.41883449
   0.16904641  0.58777694  0.59602885
   0.28680233  0.69817723  0.77659643
   0.10344163  0.83094946  0.50665557
   0.37038000  0.99219470  0.81737123
   0.42681372  0.90956876  0.63819047
   0.16644180  0.91375216  0.69123259
   0.26782881  0.65303057 -0.03786616
   0.00559433  0.63841233  0.93698308
   0.58340642  0.08003982  0.11589177
   0.82264320  0.21462181  0.27212120
   0.60933573  0.32521175  0.02949087
   0.87621758  0.45022164  0.34129410
   0.03158909  0.36293377  0.20680532
   0.78329792  0.43820018  0.13811307
   0.77541081  0.16197894  0.45054324
   0.52830491  0.09380353  0.41720260
   0.63094200  0.07072263  0.59129371
   0.80856637  0.19473969  0.78794248
   0.57076969  0.30849346  0.52312924
   0.84472674  0.46163137  0.83766036
   0.98442212  0.43069415  0.63142236
   0.71457221  0.37931586  0.67381772
   0.78781097  0.13354320  0.97581886
   0.54466147  0.11504139  0.92584996
   0.56656306  0.58631982  0.07518700
   0.87457744  0.71309009  0.31491176
   0.60729328  0.83940345  0.02913914
   0.84277798  0.97031963  0.34117910
   0.91876663  0.87009735  0.16286550
   0.67331229  0.85769917  0.21133802
   0.82371611  0.62938636  0.48525464
   0.57701071  0.57062449  0.38557958
   0.60743628  0.57951873  0.56301610
   0.84591094  0.69868048  0.77775525
   0.62170903  0.80259157  0.42191329
   0.88309990  0.94877351  0.85176792
   0.90929798  0.88387782  0.65183462
   0.67163747  0.90523928  0.74671437
   0.75852696  0.64256114  0.95192357
   0.51080702  0.66588319  0.88936075
   0.61429085  0.79002357  0.60398464
   0.57321286  0.83220135  0.36324911
   0.89086822  0.19058199  0.11492369
   0.78776121  0.43323799  0.34948288
   0.27177329  0.14271352  0.69406499
   0.20430700  0.74649054  0.77138756
   0.03387306  1.13367092  0.14689857
   0.21324278  1.03132903  0.01935454
   0.62757158  0.35767810  0.82890361
   0.91238583  0.36384518  0.61945874
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945494    0.260259   -0.199776
    -0.000000    9.713570    0.078479
    -0.000000    0.000000   13.875761
   Si   O    H 
    32    64    10
Direct configuration=   673
   0.16126102  0.16085137 -0.02422285
   0.37870379  0.07732664  0.38598221
   0.13413019  0.40237171  0.12278244
   0.39028230  0.33593404  0.25610440
   0.12532547  0.18065447  0.48802011
   0.41386284  0.13700956  0.85985616
   0.13853903  0.42841963  0.61558237
   0.36354527  0.38633835  0.74849133
   0.12626296  0.67372963  0.00865772
   0.41093231  0.57800277  0.36949223
   0.08320578  0.90715946  0.14963177
   0.33589989  0.82780834  0.24961581
   0.17312173  0.67667075  0.49275246
   0.35280536  0.62518392  0.87229513
   0.05148549  0.92583140  0.59904884
   0.30836035  0.99236903  0.70162632
   0.63935814  0.15947404  1.01341460
   0.88222831  0.12352859  0.36440572
   0.61683744  0.42829694  0.12002898
   0.87799116  0.30366364  0.18714593
   0.63241808  0.15766423  0.49237913
   0.87988665  0.11775957  0.87803396
   0.58181268  0.42071985  0.60226840
   0.75410350  0.35374921  0.78103250
   0.60447390  0.68463761 -0.01231707
   0.92252849  0.59129206  0.39127071
   0.56749395  0.91958800  0.12683169
   0.83352496  0.85841589  0.26137878
   0.65733610  0.65394499  0.47449958
   0.87025877  0.61560870  0.87541397
   0.59030795  0.91908109  0.64354171
   0.83582867  0.86272459  0.75333491
   0.11089013  0.06479424  0.16634554
   0.36347832  0.17620791  0.28804033
   0.09724454  0.29263276  0.04156060
   0.35652072  0.42686493  0.35541397
   0.53218633  0.38671593  0.21762760
   0.27955030  0.35884627  0.16774189
   0.27199609  0.10751012  0.46298476
   0.03262360  0.16481842  0.38915942
   0.04823394  0.08168625  0.55917630
   0.44349076  0.23241540  0.76424189
   0.14900354  0.32906738  0.52117033
   0.34324287  0.46164556  0.85133757
   0.44891141  0.46216468  0.66761447
   0.21257356  0.35712591  0.71003552
   0.29251357  0.21890729 -0.08073177
   0.03845143  0.14447176  0.89924144
   0.12116938  0.55942198  0.08952747
   0.36828768  0.66329068  0.27161744
   0.11003423  0.82746085  0.04636393
   0.36578092  0.92363875  0.33647850
   0.40594966  0.88619874  0.15636371
   0.16957200  0.81442486  0.23428301
   0.33143527  0.66323907  0.46045325
   0.08355374  0.58088364  0.41895778
   0.16721673  0.58679882  0.59510439
   0.28590793  0.69949363  0.77519282
   0.10332837  0.83154961  0.50723244
   0.37035451  0.98944072  0.81724851
   0.42789774  0.90834496  0.63942002
   0.16750991  0.91228976  0.69231213
   0.26641000  0.65229566 -0.03788851
   0.00560534  0.63903938  0.93633215
   0.58258257  0.08094763  0.11602739
   0.82078026  0.21530145  0.27154120
   0.60885511  0.32364629  0.02968448
   0.87656581  0.44875590  0.34190235
   0.03342908  0.36242788  0.20728841
   0.78409440  0.43691976  0.13890317
   0.77455638  0.16270702  0.45089426
   0.52933400  0.09488225  0.41644610
   0.63163162  0.07101305  0.59070270
   0.80864822  0.19292956  0.78840475
   0.57070520  0.30724474  0.52324887
   0.84528206  0.46157776  0.83919857
   0.98616140  0.43000524  0.63164218
   0.71452761  0.37962275  0.67277176
   0.79054589  0.13193690  0.97540772
   0.54517178  0.11365614  0.92619356
   0.56685196  0.58653374  0.07683101
   0.87515378  0.71208783  0.31511112
   0.60603697  0.84047386  0.02876741
   0.84228420  0.97096343  0.34191954
   0.91674379  0.86882626  0.16295207
   0.67206111  0.85953760  0.21088221
   0.82203268  0.62973879  0.48498135
   0.57620809  0.57103305  0.38439094
   0.60689799  0.57916033  0.56228870
   0.84536408  0.69760953  0.77809332
   0.62126998  0.80338154  0.42170512
   0.88047172  0.94970330  0.85124340
   0.90937707  0.88488176  0.65162845
   0.67203952  0.90437246  0.74750508
   0.75796965  0.64240553  0.95105279
   0.51112406  0.66776483  0.89030009
   0.61293153  0.78873273  0.60218213
   0.57220802  0.83547744  0.36546834
   0.89278754  0.18666654  0.11435137
   0.77733000  0.43462890  0.35358253
   0.27060499  0.14320731  0.69256797
   0.19363770  0.74697546  0.77294354
   0.03137589  1.12985613  0.14168367
   0.21702911  1.03498844  0.02563177
   0.62966059  0.35763111  0.82874097
   0.90824274  0.36263447  0.61818989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946270    0.258862   -0.197695
    -0.000000    9.713818    0.078657
    -0.000000    0.000000   13.874862
   Si   O    H 
    32    64    10
Direct configuration=   674
   0.16223473  0.16139474 -0.02476748
   0.37885267  0.07723889  0.38511399
   0.13524132  0.40178305  0.12214982
   0.38849164  0.33586783  0.25608370
   0.12397728  0.18033976  0.48765792
   0.41532413  0.13787823  0.86023203
   0.13761514  0.42816046  0.61596328
   0.36244233  0.38646796  0.74897964
   0.12643413  0.67395463  0.00891438
   0.41240613  0.57666095  0.36955496
   0.08291869  0.90757914  0.14950708
   0.33613210  0.82637429  0.24996349
   0.17293308  0.67580933  0.49209270
   0.35346920  0.62501280  0.87191964
   0.05161957  0.92479705  0.59952216
   0.30625582  0.99209010  0.70153808
   0.64029621  0.15928083  1.01281769
   0.88176508  0.12286559  0.36429355
   0.61617572  0.42983996  0.11966978
   0.87972162  0.30429285  0.18643893
   0.63200640  0.15783102  0.49097802
   0.88010445  0.11731350  0.87808212
   0.58206199  0.42127630  0.60279028
   0.75471866  0.35374095  0.78028503
   0.60470733  0.68290817 -0.01269271
   0.92374257  0.59058311  0.39118189
   0.56784118  0.91940594  0.12677096
   0.83425419  0.85870176  0.26128153
   0.65870187  0.65506824  0.47541613
   0.87016330  0.61599218  0.87563941
   0.59091909  0.91928947  0.64242555
   0.83658762  0.86295786  0.75377517
   0.10948722  0.06623100  0.16535153
   0.36388528  0.17656341  0.28716300
   0.09686841  0.29266374  0.04220675
   0.35452846  0.42752962  0.35577547
   0.53311750  0.38638523  0.21853965
   0.28183464  0.36094177  0.16795082
   0.27022907  0.10837302  0.46355762
   0.03517049  0.16474314  0.39010168
   0.04817155  0.08302547  0.56022868
   0.44558626  0.23105131  0.76550122
   0.14814115  0.32921968  0.52061491
   0.34411970  0.46330865  0.85135337
   0.45008649  0.46264859  0.66715209
   0.21262539  0.35790993  0.70940481
   0.29111080  0.21865668 -0.07977272
   0.03951961  0.14272592  0.89980375
   0.12098215  0.55978208  0.08952771
   0.36863964  0.66493872  0.27091495
   0.10833519  0.82918475  0.04669897
   0.36438028  0.92316538  0.33606978
   0.40760401  0.88626261  0.15507405
   0.17048773  0.81419809  0.23555454
   0.33354998  0.66342653  0.46014904
   0.08266986  0.57991378  0.41937613
   0.16494711  0.58562773  0.59423777
   0.28556524  0.70050739  0.77447204
   0.10339246  0.83169616  0.50827911
   0.37061533  0.98680146  0.81685584
   0.42847183  0.90791049  0.64100520
   0.16776097  0.91162690  0.69249459
   0.26547126  0.65191783 -0.03762545
   0.00581561  0.63985331  0.93567846
   0.58279253  0.08217055  0.11537836
   0.81850235  0.21578984  0.27114768
   0.60909903  0.32222609  0.02996129
   0.87686868  0.44744082  0.34161246
   0.03477675  0.36206531  0.20793260
   0.78488809  0.43547804  0.13984449
   0.77406497  0.16336514  0.45120027
   0.53034244  0.09694744  0.41604257
   0.63321804  0.07147674  0.59025698
   0.80815032  0.19129487  0.78871720
   0.57172451  0.30586422  0.52317204
   0.84629788  0.46169711  0.84068784
   0.98625698  0.42922173  0.63224394
   0.71398238  0.38049535  0.67139444
   0.79315791  0.13089772  0.97501772
   0.54492173  0.11147217  0.92629319
   0.56660914  0.58570017  0.07853947
   0.87494658  0.71099995  0.31454931
   0.60436334  0.84133659  0.02850308
   0.84112677  0.97242959  0.34268987
   0.91497443  0.86861302  0.16263180
   0.67155191  0.86197463  0.21032961
   0.82072479  0.63016237  0.48400886
   0.57448020  0.57169880  0.38353091
   0.60591100  0.57825910  0.56248482
   0.84491794  0.69720650  0.77818103
   0.62117885  0.80350969  0.42181685
   0.87824262  0.95084746  0.85067156
   0.91002944  0.88516600  0.65165847
   0.67262229  0.90408960  0.74809755
   0.75551396  0.64196429  0.95037528
   0.51148102  0.66906299  0.89097000
   0.61305365  0.78624275  0.59718962
   0.56959795  0.83654633  0.36342629
   0.89271123  0.18332669  0.11483405
   0.77240709  0.43756455  0.35649596
   0.27244771  0.14019145  0.69116549
   0.19068460  0.74395507  0.77445439
   0.03558406  1.11892545  0.13669587
   0.21734804  1.04252657  0.03138783
   0.62636404  0.35926235  0.83134974
   0.91221954  0.36940829  0.61759257
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947121    0.257835   -0.195846
    -0.000000    9.713957    0.078484
    -0.000000    0.000000   13.873604
   Si   O    H 
    32    64    10
Direct configuration=   675
   0.16375381  0.16216234 -0.02542001
   0.37898162  0.07690052  0.38429781
   0.13667977  0.40121780  0.12212281
   0.38605744  0.33540421  0.25613117
   0.12335999  0.17967663  0.48767306
   0.41619418  0.13800970  0.86050722
   0.13654046  0.42812140  0.61562657
   0.36185921  0.38717238  0.74900513
   0.12666555  0.67416741  0.00932396
   0.41415591  0.57562640  0.36982462
   0.08226266  0.90731689  0.14948713
   0.33643285  0.82498725  0.25027556
   0.17279589  0.67475111  0.49187557
   0.35423452  0.62533971  0.87087448
   0.05154977  0.92410910  0.59971397
   0.30454207  0.99153280  0.70196826
   0.64128587  0.15870030  1.01238416
   0.88029992  0.12369966  0.36388822
   0.61541160  0.43121656  0.11894030
   0.88142236  0.30471482  0.18550106
   0.63154298  0.15791405  0.48996655
   0.88101765  0.11673366  0.87782365
   0.58214379  0.42209003  0.60351315
   0.75504795  0.35392459  0.78029362
   0.60559707  0.68136526 -0.01336069
   0.92410288  0.58979824  0.39105468
   0.56786684  0.91923269  0.12665687
   0.83436289  0.85915885  0.26089131
   0.65989397  0.65631526  0.47565522
   0.87010207  0.61635894  0.87576844
   0.59187016  0.92045761  0.64185745
   0.83721209  0.86320728  0.75425663
   0.10816770  0.06823405  0.16457865
   0.36462855  0.17658955  0.28626309
   0.09684185  0.29213792  0.04269090
   0.35266286  0.42721719  0.35570232
   0.53513587  0.38606641  0.21936624
   0.28460381  0.36261186  0.16834072
   0.26931542  0.10835892  0.46456243
   0.03724635  0.16479386  0.39135277
   0.04786267  0.08500038  0.56181114
   0.44783616  0.23034161  0.76634817
   0.14804719  0.32997451  0.52052485
   0.34509760  0.46464642  0.85105292
   0.45111360  0.46277893  0.66609650
   0.21263318  0.35882682  0.70831688
   0.29054869  0.21866966 -0.07985807
   0.03971693  0.14159887  0.89917106
   0.12119277  0.55994871  0.08996598
   0.36942955  0.66608072  0.27101347
   0.10623882  0.83084531  0.04740119
   0.36373290  0.92339532  0.33630347
   0.41023588  0.88663721  0.15392750
   0.17111776  0.81501813  0.23654811
   0.33446944  0.66325577  0.45929798
   0.08187864  0.58007043  0.41909196
   0.16327933  0.58524975  0.59324528
   0.28512498  0.70141544  0.77345582
   0.10421876  0.83116407  0.50877428
   0.37127373  0.98390631  0.81680185
   0.42905767  0.90615975  0.64282422
   0.16688250  0.91190605  0.69278437
   0.26444086  0.65146286 -0.03747315
   0.00580049  0.64023520  0.93456427
   0.58308925  0.08422619  0.11437603
   0.81582198  0.21588364  0.27109799
   0.60867537  0.32129506  0.03047329
   0.87624316  0.44600784  0.34205456
   0.03583709  0.36169850  0.20837509
   0.78539501  0.43405898  0.14084003
   0.77455277  0.16536767  0.45134929
   0.53137418  0.09842561  0.41564540
   0.63480250  0.07120388  0.58940943
   0.80789496  0.19059577  0.78866917
   0.57198379  0.30513482  0.52347150
   0.84713394  0.46048152  0.84178293
   0.98558862  0.42823160  0.63292602
   0.71334466  0.38146416  0.66989200
   0.79580462  0.12974136  0.97434517
   0.54488494  0.10956966  0.92646793
   0.56684329  0.58452012  0.08016945
   0.87549311  0.71030342  0.31325421
   0.60324362  0.84228035  0.02842885
   0.84089239  0.97365492  0.34370514
   0.91382040  0.86899956  0.16240790
   0.67189996  0.86380233  0.21007183
   0.81897529  0.63060592  0.48352865
   0.57332060  0.57189877  0.38335095
   0.60479201  0.57617742  0.56340809
   0.84464955  0.69677871  0.77757329
   0.62046853  0.80350230  0.42207472
   0.87596766  0.95285115  0.84983116
   0.91109022  0.88518513  0.65146191
   0.67382970  0.90408025  0.74819405
   0.75238829  0.64251069  0.94989140
   0.51119342  0.67063518  0.89149380
   0.61839012  0.78625608  0.58892737
   0.57021848  0.83604201  0.36576093
   0.89188999  0.17990614  0.11627071
   0.77947756  0.44251459  0.35655242
   0.27511467  0.13623944  0.68722887
   0.19557331  0.73881571  0.77472522
   0.03471534  1.11596367  0.12999871
   0.21417659  1.05510648  0.03372873
   0.62330944  0.36258259  0.83409239
   0.91684451  0.37943140  0.62088500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947642    0.257360   -0.193684
    -0.000000    9.713915    0.078606
    -0.000000    0.000000   13.871928
   Si   O    H 
    32    64    10
Direct configuration=   676
   0.16537328  0.16288279 -0.02605169
   0.37811215  0.07747954  0.38319352
   0.13791516  0.40063308  0.12201813
   0.38412197  0.33445902  0.25609541
   0.12264318  0.17936927  0.48815958
   0.41681104  0.13762012  0.86066769
   0.13546331  0.42756943  0.61539234
   0.36134368  0.38780745  0.74903090
   0.12613393  0.67417166  0.01002886
   0.41538955  0.57459891  0.36981304
   0.08110159  0.90630871  0.14984598
   0.33655146  0.82367891  0.25019196
   0.17302969  0.67437681  0.49187653
   0.35503802  0.62559217  0.86978199
   0.05150713  0.92365388  0.60000828
   0.30297867  0.99154985  0.70265806
   0.64173164  0.15781476  1.01168093
   0.87955005  0.12540100  0.36360512
   0.61504732  0.43299977  0.11838562
   0.88355374  0.30546368  0.18446978
   0.63055119  0.15814753  0.48893463
   0.88160521  0.11474477  0.87747158
   0.58196499  0.42329912  0.60406198
   0.75476666  0.35448353  0.78093514
   0.60642924  0.67975835 -0.01444691
   0.92402197  0.58943884  0.39087684
   0.56801943  0.91903418  0.12634309
   0.83410068  0.85964711  0.26042832
   0.66043168  0.65755377  0.47477154
   0.86979083  0.61690683  0.87618476
   0.59244566  0.92174101  0.64142434
   0.83692571  0.86393831  0.75486061
   0.10641002  0.06996487  0.16440769
   0.36491729  0.17582478  0.28572987
   0.09729222  0.29140592  0.04258622
   0.35047395  0.42636908  0.35555413
   0.53704687  0.38557105  0.21985397
   0.28683717  0.36456106  0.16906726
   0.26957359  0.10785913  0.46553647
   0.03776781  0.16487296  0.39200842
   0.04821579  0.08613610  0.56338395
   0.44953410  0.23015051  0.76632171
   0.14883721  0.33071990  0.52030868
   0.34710194  0.46573996  0.85073601
   0.45200605  0.46193033  0.66513527
   0.21235992  0.35971251  0.70778448
   0.29084492  0.21853595 -0.08002353
   0.04040201  0.14085047  0.89859136
   0.12142558  0.56091341  0.09132027
   0.37022610  0.66642664  0.27110941
   0.10434324  0.83269477  0.04798944
   0.36366160  0.92404824  0.33718097
   0.41303175  0.88676849  0.15236738
   0.17059069  0.81569240  0.23754314
   0.33556563  0.66313533  0.45871772
   0.08118349  0.58064247  0.41855595
   0.16251761  0.58501699  0.59203369
   0.28572116  0.70188986  0.77323685
   0.10506521  0.83099523  0.50982163
   0.37254313  0.98154067  0.81667663
   0.42941947  0.90444386  0.64418775
   0.16513520  0.91214181  0.69265285
   0.26405242  0.65113214 -0.03755344
   0.00662577  0.64061046  0.93359217
   0.58372143  0.08668269  0.11359867
   0.81334282  0.21563599  0.27088808
   0.60774741  0.32079345  0.03129884
   0.87605454  0.44457147  0.34245407
   0.03622824  0.36191361  0.20873332
   0.78553523  0.43262627  0.14124964
   0.77486004  0.16750982  0.45074782
   0.53146698  0.09955042  0.41573403
   0.63586759  0.07090279  0.58910549
   0.80757777  0.18962821  0.78868847
   0.57175398  0.30520332  0.52342819
   0.84869888  0.45872748  0.84318294
   0.98486882  0.42782644  0.63444837
   0.71383326  0.38249216  0.66800261
   0.79796690  0.12912717  0.97318612
   0.54513685  0.10840366  0.92634160
   0.56661872  0.58372713  0.08152711
   0.87558926  0.71021763  0.31254741
   0.60259983  0.84200716  0.02811967
   0.84020279  0.97393348  0.34501318
   0.91363782  0.87006951  0.16176017
   0.67262144  0.86586644  0.21059854
   0.81797547  0.63034982  0.48233666
   0.57313114  0.57136006  0.38367405
   0.60423967  0.57519055  0.56442069
   0.84425418  0.69686216  0.77681359
   0.62029354  0.80339229  0.42339325
   0.87442930  0.95478593  0.84849774
   0.91259017  0.88534459  0.65117230
   0.67386889  0.90345787  0.74758775
   0.74976054  0.64294883  0.94961676
   0.51001187  0.67251438  0.89197847
   0.62598976  0.79162995  0.58054512
   0.57036694  0.83733688  0.36541299
   0.88559388  0.18236288  0.11885396
   0.78458630  0.44927766  0.35441419
   0.27957847  0.13335095  0.68308648
   0.19258396  0.73832630  0.77501256
   0.02878808  1.12087334  0.12093120
   0.21584043  1.06150809  0.03497891
   0.62200027  0.36584413  0.83633363
   0.89978165  0.36920177  0.62037546
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948039    0.257073   -0.191500
    -0.000000    9.714363    0.079134
    -0.000000    0.000000   13.870318
   Si   O    H 
    32    64    10
Direct configuration=   677
   0.16666268  0.16399797 -0.02713434
   0.37728324  0.07777581  0.38224710
   0.13992168  0.39991613  0.12162330
   0.38238335  0.33424310  0.25598689
   0.12181282  0.17862568  0.48904806
   0.41702552  0.13715336  0.86082531
   0.13410406  0.42697511  0.61493228
   0.36125770  0.38785694  0.74897951
   0.12534603  0.67436085  0.01089170
   0.41614339  0.57409299  0.36986373
   0.07940611  0.90535094  0.15060028
   0.33686118  0.82250185  0.24979799
   0.17333730  0.67303548  0.49232786
   0.35557447  0.62592568  0.86877268
   0.05160818  0.92367414  0.60012777
   0.30161109  0.99122859  0.70308290
   0.64179184  0.15694284  1.01139372
   0.87820349  0.12731567  0.36327770
   0.61489764  0.43386817  0.11775785
   0.88577187  0.30669448  0.18367529
   0.62900814  0.15854661  0.48829791
   0.88181309  0.11243476  0.87703763
   0.58197076  0.42442102  0.60434242
   0.75396060  0.35493070  0.78180877
   0.60672556  0.67877361 -0.01487867
   0.92355817  0.58945719  0.39059049
   0.56765843  0.91927078  0.12639462
   0.83331124  0.85934833  0.26027044
   0.66076841  0.65832194  0.47359629
   0.86942151  0.61720876  0.87711694
   0.59298317  0.92254458  0.64144370
   0.83617353  0.86541169  0.75494623
   0.10437539  0.07185118  0.16387197
   0.36540122  0.17453708  0.28573108
   0.09794028  0.29015814  0.04179875
   0.34831411  0.42463329  0.35467646
   0.53886612  0.38566257  0.22025024
   0.28789802  0.36662961  0.16957453
   0.26958551  0.10703434  0.46606374
   0.03815697  0.16454311  0.39236446
   0.04871893  0.08703974  0.56498728
   0.45157102  0.22993623  0.76606700
   0.15006201  0.33222313  0.51993089
   0.34929428  0.46600562  0.85001288
   0.45150016  0.46127495  0.66496120
   0.21277417  0.36094647  0.70812985
   0.29177197  0.21800329 -0.08099697
   0.04123728  0.14089014  0.89792728
   0.12101854  0.56125309  0.09278715
   0.37198278  0.66632738  0.27138071
   0.10306377  0.83481478  0.04878534
   0.36337013  0.92531799  0.33863838
   0.41505321  0.88659796  0.15087821
   0.17073311  0.81775828  0.23820306
   0.33613895  0.66353979  0.45810340
   0.08026888  0.58109508  0.41752372
   0.16242362  0.58510765  0.59093317
   0.28660400  0.70238430  0.77317637
   0.10611195  0.83054693  0.51066573
   0.37453637  0.97969316  0.81664921
   0.42875470  0.90340803  0.64521221
   0.16330070  0.91178567  0.69297362
   0.26350797  0.65095686 -0.03778014
   0.00718153  0.64009034  0.93252800
   0.58502113  0.08890632  0.11296496
   0.81135367  0.21543738  0.27089911
   0.60673832  0.31971160  0.03210850
   0.87685809  0.44361889  0.34286888
   0.03666984  0.36191872  0.20885384
   0.78509939  0.43075581  0.14185345
   0.77552472  0.16929806  0.45012214
   0.53081505  0.10015844  0.41505951
   0.63654280  0.07040235  0.58862125
   0.80682828  0.18977229  0.78860690
   0.57199268  0.30565729  0.52398988
   0.85067830  0.45673411  0.84422482
   0.98227662  0.42731449  0.63619071
   0.71500385  0.38284560  0.66633886
   0.79931837  0.12888726  0.97250804
   0.54573422  0.10690542  0.92602122
   0.56539128  0.58317808  0.08204691
   0.87532809  0.71026677  0.31220440
   0.60121873  0.84151361  0.02727306
   0.84006291  0.97320562  0.34593683
   0.91347605  0.87067747  0.16106867
   0.67300160  0.86776068  0.21112112
   0.81714701  0.62966488  0.48113319
   0.57388995  0.57137086  0.38419749
   0.60423167  0.57492181  0.56519984
   0.84414004  0.69694097  0.77600429
   0.61966522  0.80385259  0.42482090
   0.87312290  0.95514780  0.84767051
   0.91505052  0.88545602  0.65109329
   0.67338252  0.90232475  0.74637634
   0.74801448  0.64267146  0.94981645
   0.50828121  0.67334858  0.89204134
   0.63027189  0.80255687  0.57701794
   0.57196593  0.83636445  0.36702604
   0.88017327  0.18795247  0.12062566
   0.77800328  0.45121971  0.35249035
   0.28257227  0.13610123  0.67725450
   0.18988336  0.73856513  0.77749667
   0.03133388  1.12043518  0.11890954
   0.21748838  1.05703073  0.03631333
   0.62329723  0.37055645  0.83889492
   0.89578901  0.36530089  0.61927362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948442    0.256518   -0.189935
    -0.000000    9.714966    0.079634
    -0.000000    0.000000   13.868742
   Si   O    H 
    32    64    10
Direct configuration=   678
   0.16763175  0.16512820 -0.02815800
   0.37649909  0.07771502  0.38097846
   0.14204355  0.39883372  0.12134082
   0.38076446  0.33481401  0.25627769
   0.12151705  0.17832119  0.48969809
   0.41668134  0.13639654  0.86076903
   0.13270291  0.42674841  0.61456819
   0.36131275  0.38806113  0.74914124
   0.12367987  0.67480042  0.01143019
   0.41592459  0.57349859  0.36963004
   0.07784458  0.90397667  0.15157795
   0.33723407  0.82155755  0.24965002
   0.17315991  0.67200936  0.49257429
   0.35573651  0.62635947  0.86827611
   0.05132203  0.92395856  0.60037077
   0.30038023  0.99035817  0.70325171
   0.64208045  0.15577786  1.01124906
   0.87670651  0.12965894  0.36294065
   0.61505114  0.43469855  0.11733861
   0.88784944  0.30794843  0.18308592
   0.62693452  0.15858626  0.48796278
   0.88242791  0.10972249  0.87649422
   0.58162858  0.42553538  0.60467948
   0.75385529  0.35523726  0.78273397
   0.60655959  0.67871751 -0.01517101
   0.92272496  0.58942336  0.39002039
   0.56750203  0.91939325  0.12616983
   0.83215324  0.85872724  0.25981019
   0.66098776  0.65945522  0.47229321
   0.86964936  0.61752392  0.87819926
   0.59371055  0.92297773  0.64119799
   0.83590440  0.86647283  0.75458180
   0.10203501  0.07209884  0.16322131
   0.36542832  0.17300946  0.28636814
   0.09880158  0.28951802  0.04080614
   0.34563419  0.42399197  0.35372833
   0.54014867  0.38546100  0.22045302
   0.28809041  0.36831471  0.16919668
   0.26952328  0.10599018  0.46694883
   0.03766813  0.16397146  0.39151718
   0.04956207  0.08752676  0.56704834
   0.45238144  0.23053665  0.76579273
   0.15202321  0.33286476  0.51950074
   0.35142509  0.46552671  0.84902540
   0.45061348  0.45954225  0.66494689
   0.21448250  0.36254461  0.70799981
   0.29413160  0.21706773 -0.08247021
   0.04240157  0.14154283  0.89711394
   0.12039872  0.56137770  0.09430521
   0.37419771  0.66497137  0.27167350
   0.10194639  0.83741797  0.04978961
   0.36422175  0.92612548  0.33975936
   0.41610223  0.88612610  0.14995359
   0.16983435  0.82044759  0.23840993
   0.33665475  0.66447110  0.45779957
   0.07944532  0.58141449  0.41593260
   0.16287890  0.58563569  0.58984019
   0.28757720  0.70308336  0.77302819
   0.10696974  0.82991770  0.51105366
   0.37645454  0.97883805  0.81608145
   0.42859590  0.90280444  0.64620607
   0.16135344  0.91096013  0.69309213
   0.26373520  0.65011461 -0.03806079
   0.00846864  0.64031946  0.93146523
   0.58707253  0.09099056  0.11245463
   0.80990495  0.21543377  0.27061526
   0.60617043  0.31904636  0.03259404
   0.87726196  0.44328381  0.34320561
   0.03710671  0.36181381  0.20868401
   0.78494584  0.42975273  0.14270098
   0.77697321  0.17028186  0.44939111
   0.53078538  0.10014083  0.41390875
   0.63729576  0.07034169  0.58829035
   0.80601768  0.19068114  0.78787264
   0.57097871  0.30638997  0.52480012
   0.85230298  0.45509503  0.84506170
   0.97893134  0.42588833  0.63791704
   0.71684767  0.38331068  0.66505434
   0.80060293  0.12870630  0.97180532
   0.54680387  0.10561740  0.92579029
   0.56463495  0.58294222  0.08183435
   0.87401779  0.71077299  0.31170809
   0.59980106  0.84073507  0.02619565
   0.83946028  0.97154796  0.34683266
   0.91338364  0.87080542  0.16071932
   0.67367232  0.86931399  0.21199412
   0.81741304  0.62855119  0.47937025
   0.57549145  0.57168279  0.38492384
   0.60379042  0.57493852  0.56541879
   0.84435576  0.69835501  0.77541711
   0.61914923  0.80489996  0.42634805
   0.87215727  0.95455765  0.84716344
   0.91698920  0.88517176  0.65114248
   0.67393984  0.90178837  0.74435396
   0.74786300  0.64292727  0.94947511
   0.50697858  0.67494558  0.89202449
   0.63424629  0.81375916  0.57587650
   0.57162629  0.83495319  0.36841164
   0.87601970  0.19589324  0.11705092
   0.77325360  0.45197825  0.35071405
   0.28814526  0.14097354  0.67109601
   0.19556896  0.73401467  0.77866573
   0.03507303  1.11798813  0.12236819
   0.22062603  1.04738556  0.03460455
   0.62762870  0.37654532  0.84002530
   0.90531115  0.37103618  0.62115389
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948517    0.256576   -0.188803
    -0.000000    9.715460    0.080330
    -0.000000    0.000000   13.866688
   Si   O    H 
    32    64    10
Direct configuration=   679
   0.16764635  0.16622589 -0.02888592
   0.37544371  0.07798076  0.37967802
   0.14434845  0.39772948  0.12140268
   0.37973400  0.33532094  0.25662535
   0.12216152  0.17798786  0.49044083
   0.41596293  0.13560398  0.86090980
   0.13152034  0.42667596  0.61373076
   0.36161858  0.38821793  0.74887717
   0.12156444  0.67505334  0.01193501
   0.41574896  0.57314459  0.36943074
   0.07602314  0.90277498  0.15245513
   0.33743962  0.82133597  0.24957168
   0.17380576  0.67095047  0.49270780
   0.35568669  0.62722351  0.86800131
   0.05108755  0.92398609  0.60072929
   0.29988609  0.98964776  0.70356285
   0.64222876  0.15475358  1.01093226
   0.87504238  0.13221920  0.36270263
   0.61545980  0.43520643  0.11731747
   0.88947595  0.30939055  0.18258387
   0.62499508  0.15866769  0.48811244
   0.88332485  0.10743889  0.87600545
   0.58168584  0.42585074  0.60517619
   0.75348251  0.35499018  0.78361559
   0.60601773  0.67874105 -0.01574038
   0.92156633  0.58962721  0.38948591
   0.56755441  0.92027986  0.12628737
   0.83058252  0.85801709  0.25968677
   0.66065923  0.65973501  0.47117140
   0.86972417  0.61758113  0.87887249
   0.59439279  0.92320432  0.64080508
   0.83555012  0.86824876  0.75376333
   0.09962599  0.07208470  0.16302031
   0.36498640  0.17249566  0.28633807
   0.10087902  0.28933081  0.03990919
   0.34382365  0.42333064  0.35298022
   0.54173584  0.38440203  0.22034690
   0.28833408  0.37048786  0.16864975
   0.26933159  0.10536392  0.46756998
   0.03714654  0.16322461  0.39096535
   0.04977462  0.08811198  0.56953844
   0.45307039  0.23181273  0.76565654
   0.15441094  0.33403348  0.51935321
   0.35279930  0.46520392  0.84809104
   0.44956590  0.45815359  0.66490967
   0.21539457  0.36396823  0.70722443
   0.29708059  0.21609357 -0.08427926
   0.04352577  0.14265420  0.89632122
   0.11959569  0.56082700  0.09563585
   0.37628307  0.66389128  0.27209043
   0.10177890  0.83827946  0.04976467
   0.36494863  0.92690440  0.34034810
   0.41689318  0.88496663  0.14966327
   0.16930693  0.82364932  0.23837910
   0.33712636  0.66630811  0.45682252
   0.07877431  0.58194484  0.41450717
   0.16251927  0.58602719  0.58941390
   0.28950403  0.70311231  0.77287592
   0.10817382  0.82960223  0.51096072
   0.37912647  0.97932065  0.81556080
   0.42785246  0.90300355  0.64704185
   0.15933751  0.91058090  0.69343352
   0.26464692  0.64969519 -0.03883085
   0.00953430  0.63957969  0.93065810
   0.58893812  0.09306293  0.11236459
   0.80859137  0.21461610  0.27045551
   0.60538575  0.31899235  0.03302340
   0.87681887  0.44381940  0.34345095
   0.03790744  0.36150171  0.20851603
   0.78368754  0.42878008  0.14291824
   0.77770935  0.17169926  0.44874125
   0.52986548  0.09970131  0.41251551
   0.63767646  0.06860878  0.58783773
   0.80468217  0.19131300  0.78707968
   0.56971422  0.30694616  0.52615966
   0.85419156  0.45362029  0.84541349
   0.97598101  0.42414968  0.63998301
   0.71868189  0.38397643  0.66447116
   0.80133007  0.12876372  0.97166593
   0.54765400  0.10359936  0.92545960
   0.56349584  0.58360912  0.08173060
   0.87320375  0.71138809  0.31127559
   0.59852377  0.83978447  0.02507509
   0.83941523  0.96946083  0.34743098
   0.91412925  0.87102936  0.16007019
   0.67443856  0.87000628  0.21320625
   0.81787402  0.62695436  0.47748846
   0.57729752  0.57203006  0.38582043
   0.60328663  0.57481769  0.56484413
   0.84404711  0.69997635  0.77447873
   0.61912871  0.80594300  0.42750783
   0.87171348  0.95404811  0.84693659
   0.91822142  0.88407876  0.65138664
   0.67413122  0.90102308  0.74196513
   0.74855071  0.64410717  0.94971530
   0.50534662  0.67717491  0.89154802
   0.64046114  0.82483177  0.57410479
   0.56900042  0.83420954  0.36749837
   0.87662446  0.20157160  0.11164601
   0.77307471  0.45151851  0.34767195
   0.29334007  0.14236546  0.66551339
   0.19833502  0.73137277  0.77903573
   0.03542202  1.12280289  0.12421296
   0.22281116  1.04335142  0.03054742
   0.63211672  0.38250988  0.84095618
   0.90999738  0.37102706  0.62013483
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948916    0.256595   -0.188124
    -0.000000    9.716150    0.081059
    -0.000000    0.000000   13.864839
   Si   O    H 
    32    64    10
Direct configuration=   680
   0.16718116  0.16677139 -0.02930619
   0.37358353  0.07813752  0.37860747
   0.14638691  0.39693135  0.12156978
   0.37915521  0.33577250  0.25679536
   0.12331122  0.17709707  0.49105744
   0.41476086  0.13452501  0.86071672
   0.13034527  0.42577253  0.61348405
   0.36222184  0.38844490  0.74842341
   0.11978496  0.67606468  0.01202702
   0.41469577  0.57334623  0.36912703
   0.07420910  0.90179763  0.15348456
   0.33781828  0.82149644  0.24971640
   0.17470862  0.67012072  0.49289786
   0.35471912  0.62818827  0.86773915
   0.05099599  0.92410572  0.60101821
   0.29991442  0.98906384  0.70346991
   0.64235956  0.15455247  1.01052399
   0.87413968  0.13444695  0.36280288
   0.61628198  0.43533598  0.11766420
   0.89067768  0.31065291  0.18220802
   0.62377560  0.15908323  0.48797117
   0.88412439  0.10595127  0.87565542
   0.58158412  0.42571437  0.60538729
   0.75331424  0.35496412  0.78424827
   0.60502055  0.67804221 -0.01598409
   0.92081407  0.58977068  0.38890224
   0.56717768  0.92122888  0.12633155
   0.82910041  0.85732729  0.25977098
   0.66021639  0.65936611  0.47017484
   0.86911862  0.61599883  0.87927169
   0.59474602  0.92343285  0.64041593
   0.83481467  0.86907798  0.75276311
   0.09789386  0.07185672  0.16271936
   0.36433783  0.17245345  0.28575969
   0.10258599  0.28952027  0.03897121
   0.34248266  0.42363513  0.35170668
   0.54340207  0.38426607  0.22032534
   0.28796137  0.37283883  0.16726430
   0.26946789  0.10474549  0.46786162
   0.03630513  0.16334789  0.38989609
   0.05104057  0.08849599  0.57230105
   0.45316808  0.23391370  0.76565085
   0.15586890  0.33548906  0.51908574
   0.35338821  0.46601765  0.84704147
   0.44782300  0.45661605  0.66442204
   0.21530135  0.36485923  0.70624109
   0.30004295  0.21519785 -0.08607351
   0.04415872  0.14387674  0.89551252
   0.11850669  0.56015021  0.09692587
   0.37796343  0.66316569  0.27293604
   0.10180821  0.83914994  0.04919549
   0.36558661  0.92678686  0.34061875
   0.41635985  0.88344225  0.14945308
   0.16874575  0.82690577  0.23833908
   0.33745949  0.66742595  0.45596406
   0.07839395  0.58375745  0.41328650
   0.16258407  0.58549976  0.58930837
   0.29160556  0.70322297  0.77300113
   0.10941484  0.83016241  0.51088810
   0.38039704  0.97990539  0.81477575
   0.42666045  0.90345474  0.64744373
   0.15697470  0.91079420  0.69319306
   0.26576841  0.65014332 -0.03874695
   0.01047479  0.63959628  0.92973759
   0.59047281  0.09405167  0.11215921
   0.80798386  0.21437939  0.26975629
   0.60453037  0.31889390  0.03341197
   0.87636723  0.44454627  0.34374506
   0.03908134  0.36119183  0.20826535
   0.78221715  0.42746384  0.14277001
   0.77712845  0.17358846  0.44877820
   0.52890234  0.09887417  0.41098770
   0.63770102  0.06752759  0.58718594
   0.80353488  0.19208644  0.78627741
   0.56810968  0.30630999  0.52762222
   0.85600665  0.45189108  0.84557745
   0.97428959  0.42290222  0.64204537
   0.72008080  0.38439258  0.66370751
   0.80198473  0.12873117  0.97131979
   0.54794792  0.10158702  0.92467529
   0.56277778  0.58483181  0.08176557
   0.87319175  0.71156601  0.31064698
   0.59695191  0.83844153  0.02401839
   0.83964957  0.96811101  0.34755099
   0.91514064  0.87198554  0.15936122
   0.67513032  0.87133472  0.21483192
   0.81951965  0.62616956  0.47575789
   0.57740113  0.57191853  0.38654027
   0.60301796  0.57510787  0.56472644
   0.84403707  0.70082264  0.77403563
   0.61868672  0.80715351  0.42875485
   0.87273668  0.95252669  0.84646034
   0.91928516  0.88335526  0.65171053
   0.67356613  0.89987848  0.74018549
   0.74895692  0.64550543  0.94956232
   0.50365414  0.67943316  0.89106162
   0.64997993  0.82927354  0.57252904
   0.57155073  0.83269355  0.36998132
   0.88345688  0.20185276  0.10677892
   0.78249483  0.45014206  0.34218463
   0.29769194  0.13949494  0.66203609
   0.19303190  0.73381944  0.77951490
   0.02586950  1.13659456  0.12386807
   0.22128432  1.04381642  0.02561093
   0.63734831  0.39048724  0.83995204
   0.89379402  0.35781431  0.61548666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949051    0.257017   -0.187425
    -0.000000    9.716407    0.082025
    -0.000000    0.000000   13.862978
   Si   O    H 
    32    64    10
Direct configuration=   681
   0.16633639  0.16730049 -0.02925018
   0.37247551  0.07808845  0.37821851
   0.14795002  0.39632528  0.12170020
   0.37913936  0.33592417  0.25698974
   0.12446724  0.17544289  0.49137587
   0.41395446  0.13342562  0.86025651
   0.12953369  0.42472722  0.61331173
   0.36319907  0.38856900  0.74759986
   0.11801000  0.67781401  0.01203589
   0.41341932  0.57327895  0.36929438
   0.07277596  0.90113281  0.15431745
   0.33779739  0.82177731  0.25006113
   0.17588674  0.66974057  0.49264989
   0.35292323  0.62930798  0.86752227
   0.05120884  0.92416490  0.60098729
   0.30044583  0.98794096  0.70321330
   0.64258742  0.15490105  1.01016310
   0.87332155  0.13620509  0.36247013
   0.61718309  0.43469935  0.11749272
   0.89151030  0.31130224  0.18185066
   0.62248910  0.16004079  0.48792302
   0.88513837  0.10508631  0.87528367
   0.58145183  0.42530984  0.60567118
   0.75308078  0.35472880  0.78427438
   0.60340180  0.67786209 -0.01610742
   0.92021549  0.58982751  0.38827612
   0.56742248  0.92204960  0.12621322
   0.82760545  0.85673008  0.25974490
   0.65914564  0.65913881  0.46935290
   0.86863694  0.61494177  0.87969624
   0.59536925  0.92373981  0.63983182
   0.83417705  0.86968326  0.75174899
   0.09643637  0.07238802  0.16256984
   0.36380968  0.17273704  0.28444836
   0.10454943  0.28993370  0.03775489
   0.34177229  0.42384091  0.35068637
   0.54522759  0.38362913  0.21982581
   0.28797038  0.37497420  0.16579393
   0.26976555  0.10427017  0.46819923
   0.03587077  0.16344675  0.38915381
   0.05221457  0.08897714  0.57554512
   0.45324198  0.23644971  0.76535438
   0.15647947  0.33595070  0.51902764
   0.35484799  0.46535584  0.84590071
   0.44571957  0.45516208  0.66381679
   0.21515968  0.36559018  0.70553781
   0.30294407  0.21477504 -0.08771384
   0.04498790  0.14449907  0.89534414
   0.11873093  0.55956082  0.09779240
   0.37916317  0.66304696  0.27307869
   0.10175162  0.83941596  0.04881721
   0.36491914  0.92635035  0.34071525
   0.41486936  0.88232037  0.14995099
   0.16841829  0.82993958  0.23809084
   0.33762012  0.66785419  0.45599697
   0.07845952  0.58520079  0.41221148
   0.16320529  0.58602344  0.58916824
   0.29278861  0.70327829  0.77242159
   0.11074534  0.83037794  0.51023427
   0.38101833  0.98071657  0.81411849
   0.42625588  0.90340182  0.64808533
   0.15509183  0.91145184  0.69341351
   0.26618239  0.65012962 -0.03850809
   0.01082114  0.64009222  0.92857862
   0.59177964  0.09472637  0.11162100
   0.80818301  0.21400475  0.26832200
   0.60377705  0.31932921  0.03277869
   0.87695755  0.44514102  0.34411850
   0.04014158  0.36102402  0.20799080
   0.78043837  0.42650810  0.14253377
   0.77684522  0.17502543  0.44868785
   0.52805182  0.09779287  0.40967971
   0.63763730  0.06601729  0.58676991
   0.80279761  0.19217378  0.78565016
   0.56614778  0.30553286  0.52878007
   0.85779726  0.45029429  0.84545886
   0.97254728  0.42137649  0.64359249
   0.72154183  0.38510706  0.66346821
   0.80189300  0.12852414  0.97147589
   0.54834267  0.09946590  0.92409214
   0.56211728  0.58560394  0.08139727
   0.87275420  0.71141127  0.31028331
   0.59575162  0.83718896  0.02350674
   0.84062200  0.96694297  0.34769532
   0.91597555  0.87246550  0.15909478
   0.67513847  0.87336303  0.21615346
   0.82065961  0.62545292  0.47432872
   0.57800893  0.57194129  0.38658151
   0.60278621  0.57602175  0.56382597
   0.84414835  0.70110460  0.77396142
   0.61854042  0.80872793  0.42983695
   0.87385738  0.95088716  0.84641106
   0.92005696  0.88324448  0.65203135
   0.67347748  0.89846817  0.73879582
   0.75016203  0.64636330  0.94971061
   0.50151762  0.68153568  0.89078493
   0.65887062  0.82972987  0.57125210
   0.57430957  0.83067919  0.37057648
   0.89098450  0.20019314  0.10206964
   0.77925755  0.45108231  0.33704221
   0.30274762  0.13092177  0.65921524
   0.19589320  0.73357812  0.77929094
   0.02753725  1.13819932  0.12487071
   0.21769278  1.04384297  0.02198463
   0.63816697  0.39511883  0.84045931
   0.88777592  0.35270371  0.61452834
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949525    0.257801   -0.186831
    -0.000000    9.717144    0.083132
    -0.000000    0.000000   13.861231
   Si   O    H 
    32    64    10
Direct configuration=   682
   0.16605899  0.16734531 -0.02893372
   0.37120233  0.07842342  0.37816124
   0.14869186  0.39605451  0.12216632
   0.37978803  0.33551064  0.25668098
   0.12556120  0.17405217  0.49123577
   0.41330100  0.13218775  0.85925417
   0.12820238  0.42395423  0.61337749
   0.36408143  0.38821298  0.74637313
   0.11648683  0.67915445  0.01212599
   0.41125315  0.57341858  0.36956692
   0.07184803  0.90092190  0.15519356
   0.33716671  0.82262308  0.25007873
   0.17754319  0.66995879  0.49214297
   0.35140952  0.63041457  0.86694899
   0.05093819  0.92419584  0.60060270
   0.30146551  0.98726959  0.70295906
   0.64310491  0.15557699  1.01011997
   0.87224713  0.13795448  0.36264319
   0.61855683  0.43439088  0.11788217
   0.89148463  0.31175175  0.18133182
   0.62205629  0.16057920  0.48815986
   0.88645300  0.10418464  0.87478220
   0.58131775  0.42503251  0.60589611
   0.75295937  0.35429598  0.78427636
   0.60228397  0.67803441 -0.01616183
   0.91998979  0.58986068  0.38763986
   0.56827834  0.92319706  0.12638335
   0.82640427  0.85638787  0.25992821
   0.65828264  0.65842776  0.46898470
   0.86852640  0.61306659  0.87959697
   0.59595256  0.92406574  0.63885647
   0.83321408  0.86960440  0.75023682
   0.09504881  0.07348898  0.16220190
   0.36320817  0.17285217  0.28311899
   0.10665912  0.29048753  0.03702975
   0.34143536  0.42488824  0.34996967
   0.54605141  0.38405441  0.21938004
   0.28888584  0.37711603  0.16451516
   0.27059427  0.10305722  0.46849611
   0.03456739  0.16371381  0.38857193
   0.05252762  0.08958757  0.57808156
   0.45224337  0.23905623  0.76534368
   0.15688451  0.33562235  0.51878095
   0.35673814  0.46424869  0.84517382
   0.44370707  0.45394806  0.66363677
   0.21494498  0.36736634  0.70460462
   0.30522339  0.21504392 -0.08863680
   0.04441995  0.14462008  0.89541352
   0.11822890  0.55856594  0.09861674
   0.38021548  0.66208436  0.27282915
   0.10242969  0.83931559  0.04831937
   0.36486493  0.92449858  0.34038354
   0.41317352  0.88136042  0.15020144
   0.16838423  0.83268718  0.23753215
   0.33733960  0.66786475  0.45561354
   0.07884181  0.58662288  0.41134156
   0.16372852  0.58645566  0.58943306
   0.29342721  0.70418809  0.77195736
   0.11132422  0.83074774  0.50925603
   0.38058477  0.98135557  0.81322292
   0.42733151  0.90321110  0.64898403
   0.15415730  0.91345337  0.69353985
   0.26571749  0.65002865 -0.03832655
   0.01130924  0.64137373  0.92805301
   0.59383687  0.09361840  0.11164724
   0.80926335  0.21312967  0.26678984
   0.60248912  0.32025221  0.03180352
   0.87719340  0.44637989  0.34430684
   0.04068206  0.36073878  0.20806098
   0.77831416  0.42627895  0.14236909
   0.77622450  0.17599135  0.44853765
   0.52701143  0.09697358  0.40785270
   0.63709799  0.06537447  0.58640282
   0.80315750  0.19278034  0.78579092
   0.56414814  0.30592193  0.52943123
   0.85908956  0.44837153  0.84516473
   0.97010585  0.41947339  0.64453984
   0.72312484  0.38485818  0.66361180
   0.80112861  0.12823930  0.97225283
   0.54807807  0.09756018  0.92365056
   0.56094037  0.58583449  0.08132463
   0.87280102  0.71108993  0.30965485
   0.59516996  0.83526767  0.02405423
   0.84159027  0.96587472  0.34780900
   0.91538143  0.87286460  0.15874976
   0.67459053  0.87547322  0.21714546
   0.82206153  0.62498613  0.47306428
   0.57829080  0.57166452  0.38640418
   0.60195086  0.57639486  0.56280128
   0.84475536  0.70104996  0.77433567
   0.61851951  0.81090153  0.43088184
   0.87459241  0.94879125  0.84669275
   0.92046120  0.88261897  0.65195357
   0.67290205  0.89722234  0.73794130
   0.75098562  0.64757150  0.94972673
   0.49913531  0.68358742  0.89086603
   0.66430979  0.82652559  0.57115029
   0.57939069  0.83221709  0.36610711
   0.89707958  0.20872311  0.10069170
   0.77642319  0.45053491  0.33200256
   0.30717593  0.11963895  0.65401779
   0.20271462  0.73224638  0.77826475
   0.03417152  1.13210418  0.12931358
   0.21567501  1.04624811  0.01775339
   0.63607216  0.39743490  0.83913518
   0.88943038  0.35976143  0.61708693
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949849    0.258447   -0.186610
    -0.000000    9.718004    0.084227
    -0.000000    0.000000   13.859709
   Si   O    H 
    32    64    10
Direct configuration=   683
   0.16567422  0.16775471 -0.02868722
   0.37083994  0.07896916  0.37833409
   0.14923161  0.39539866  0.12285759
   0.38083940  0.33582169  0.25636400
   0.12637393  0.17280876  0.49089816
   0.41355934  0.13135666  0.85824393
   0.12666836  0.42301246  0.61339616
   0.36499682  0.38767827  0.74493649
   0.11500392  0.68025840  0.01237271
   0.40996992  0.57347128  0.36973588
   0.07125666  0.90106952  0.15543953
   0.33616152  0.82341010  0.25038840
   0.17874494  0.67031366  0.49135584
   0.35012709  0.63152182  0.86664054
   0.05080932  0.92423897  0.60035690
   0.30195314  0.98590945  0.70260196
   0.64338291  0.15609565  1.00990674
   0.87158376  0.13946386  0.36259180
   0.61946697  0.43364640  0.11820398
   0.89104798  0.31154779  0.18122804
   0.62238313  0.16088279  0.48911747
   0.88688305  0.10430929  0.87438159
   0.58129817  0.42521226  0.60607754
   0.75326354  0.35374257  0.78421855
   0.60156430  0.67820461 -0.01594753
   0.91944810  0.59020427  0.38674917
   0.56961279  0.92403577  0.12668087
   0.82516857  0.85644611  0.26016882
   0.65815319  0.65734439  0.46903295
   0.86812262  0.61145869  0.87863679
   0.59668848  0.92438856  0.63766974
   0.83189215  0.86938112  0.74881594
   0.09538801  0.07341140  0.16249150
   0.36294183  0.17361432  0.28107106
   0.10909337  0.29025037  0.03623229
   0.34100280  0.42578770  0.34942234
   0.54679319  0.38415125  0.21890688
   0.29025979  0.37881343  0.16372316
   0.27179400  0.10221075  0.46857047
   0.03345939  0.16370823  0.38808695
   0.05293384  0.09020336  0.58046988
   0.45131809  0.24101143  0.76475136
   0.15759244  0.33463734  0.51857530
   0.35816349  0.46344438  0.84508618
   0.44232508  0.45324321  0.66250130
   0.21419711  0.36967369  0.70285523
   0.30512778  0.21601496 -0.08891125
   0.04329200  0.14431280  0.89526924
   0.11765253  0.55778029  0.09910490
   0.38082908  0.66151358  0.27237933
   0.10266910  0.83864741  0.04746012
   0.36488253  0.92258156  0.33964278
   0.41112956  0.87999676  0.15080618
   0.16893595  0.83510110  0.23690681
   0.33678719  0.66778577  0.45540331
   0.07972179  0.58790439  0.41047280
   0.16394751  0.58598485  0.58971022
   0.29362753  0.70465592  0.77130865
   0.11290843  0.83092350  0.50854160
   0.37952236  0.98259421  0.81272856
   0.42907984  0.90368286  0.65015839
   0.15391599  0.91578086  0.69315528
   0.26511854  0.65047364 -0.03792516
   0.01202637  0.64267641  0.92767736
   0.59542925  0.09130229  0.11153069
   0.81030132  0.21279043  0.26500749
   0.60197085  0.32066645  0.03077802
   0.87749698  0.44776271  0.34439489
   0.04089740  0.36043397  0.20809005
   0.77615195  0.42610884  0.14244091
   0.77542675  0.17666117  0.44875954
   0.52580106  0.09671230  0.40659312
   0.63589242  0.06562386  0.58633069
   0.80337421  0.19465821  0.78665906
   0.56137777  0.30629449  0.52959463
   0.86013204  0.44722135  0.84529023
   0.96733140  0.41757164  0.64537202
   0.72335985  0.38418507  0.66373802
   0.80092592  0.12838593  0.97333165
   0.54860488  0.09579682  0.92328019
   0.55962680  0.58672729  0.08125613
   0.87337628  0.71079025  0.30884747
   0.59449151  0.83396098  0.02503458
   0.84261746  0.96547000  0.34812424
   0.91434191  0.87293876  0.15892871
   0.67332729  0.87712490  0.21771487
   0.82350572  0.62438219  0.47248959
   0.57901126  0.57109920  0.38639675
   0.60167943  0.57717051  0.56266605
   0.84464656  0.70077967  0.77459518
   0.61841836  0.81311120  0.43224263
   0.87604122  0.94743010  0.84605229
   0.92004224  0.88116787  0.65194564
   0.67276187  0.89616550  0.73815690
   0.75203765  0.64889179  0.95019225
   0.49718639  0.68515192  0.89101332
   0.66645151  0.81865794  0.57119891
   0.59028782  0.83215602  0.36294911
   0.90441539  0.22293151  0.10111450
   0.77970557  0.44507409  0.32618587
   0.31238165  0.11091807  0.65117256
   0.20258097  0.73255530  0.77585458
   0.02725338  1.13196796  0.12898182
   0.21462693  1.04765270  0.01549606
   0.63278687  0.39837155  0.84002501
   0.90120834  0.37557716  0.62129743
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949566    0.259075   -0.186289
    -0.000000    9.719135    0.085805
    -0.000000    0.000000   13.858306
   Si   O    H 
    32    64    10
Direct configuration=   684
   0.16543403  0.16769475 -0.02906734
   0.37117388  0.08004187  0.37889720
   0.14981556  0.39538731  0.12354307
   0.38214210  0.33649628  0.25587907
   0.12692715  0.17243147  0.49065123
   0.41366589  0.13024228  0.85717828
   0.12527579  0.42278001  0.61341261
   0.36561769  0.38664083  0.74406737
   0.11423157  0.68099823  0.01269956
   0.40852103  0.57379917  0.36990359
   0.07084050  0.90186054  0.15524079
   0.33510097  0.82426341  0.25029347
   0.17961223  0.67135516  0.49025034
   0.34908867  0.63237938  0.86581776
   0.05031807  0.92395715  0.59977599
   0.30208502  0.98484085  0.70274189
   0.64329982  0.15651583  1.00970552
   0.87120396  0.14017151  0.36225357
   0.61973402  0.43301609  0.11849081
   0.89029826  0.31208450  0.18157763
   0.62275892  0.16103295  0.49009447
   0.88738115  0.10416161  0.87402668
   0.58144338  0.42587967  0.60657123
   0.75347488  0.35315656  0.78371848
   0.60082492  0.67840622 -0.01557525
   0.91958924  0.59097391  0.38592331
   0.57037844  0.92464074  0.12711176
   0.82441791  0.85729170  0.26050531
   0.65763889  0.65610099  0.46914003
   0.86721506  0.61005997  0.87770185
   0.59741626  0.92392263  0.63644504
   0.83144979  0.86894756  0.74764337
   0.09565530  0.07319403  0.16342536
   0.36226985  0.17414731  0.27890210
   0.11117879  0.29088884  0.03606898
   0.34065814  0.42724665  0.34892091
   0.54765178  0.38463206  0.21852736
   0.29135377  0.38104616  0.16241245
   0.27260020  0.10165285  0.46778353
   0.03238236  0.16405217  0.38780322
   0.05287595  0.09131298  0.58237893
   0.45107837  0.24262215  0.76422512
   0.15774638  0.33331869  0.51762156
   0.35972186  0.46286511  0.84577344
   0.44209094  0.45247222  0.66097963
   0.21345026  0.37094046  0.70183217
   0.30395352  0.21676358 -0.08860120
   0.04200378  0.14386721  0.89551367
   0.11688955  0.55755020  0.09950011
   0.38093557  0.66137096  0.27166972
   0.10341884  0.83744231  0.04662232
   0.36366243  0.92105178  0.33967034
   0.40925614  0.87820891  0.15149023
   0.17066024  0.83773759  0.23629539
   0.33639265  0.66752272  0.45562666
   0.08066950  0.58949889  0.40960478
   0.16413396  0.58478425  0.59042297
   0.29388336  0.70538704  0.77060918
   0.11433114  0.83120084  0.50818430
   0.37759421  0.98323195  0.81189792
   0.43186489  0.90399206  0.65203631
   0.15384959  0.91798373  0.69264828
   0.26462239  0.65090633 -0.03761289
   0.01264749  0.64265532  0.92695408
   0.59612088  0.08859443  0.11091749
   0.81163875  0.21223177  0.26347621
   0.60226216  0.32043271  0.02933954
   0.87706885  0.44877786  0.34463369
   0.04148408  0.36080376  0.20794426
   0.77466969  0.42626818  0.14304476
   0.77423629  0.17825327  0.44902508
   0.52486740  0.09666653  0.40591504
   0.63461094  0.06616323  0.58600360
   0.80420815  0.19646080  0.78773782
   0.55886328  0.30724168  0.52946987
   0.86094061  0.44625921  0.84531016
   0.96662365  0.41640687  0.64654811
   0.72367311  0.38378306  0.66431845
   0.80003645  0.12923285  0.97470792
   0.54936535  0.09379038  0.92258846
   0.55892000  0.58701936  0.08133511
   0.87397230  0.71052894  0.30801875
   0.59332562  0.83384245  0.02643739
   0.84393817  0.96456977  0.34866911
   0.91284297  0.87312887  0.15908269
   0.67155126  0.87874946  0.21803074
   0.82392682  0.62420700  0.47220818
   0.57954459  0.57012791  0.38609405
   0.60086931  0.57788099  0.56202741
   0.84478592  0.70063588  0.77480536
   0.61744378  0.81437656  0.43352108
   0.87725396  0.94638424  0.84487514
   0.91894951  0.87892553  0.65248340
   0.67203356  0.89599895  0.73901023
   0.75308119  0.65001485  0.95083377
   0.49552946  0.68628906  0.89106731
   0.66596859  0.80958356  0.57202279
   0.60177263  0.83348811  0.36649827
   0.91003162  0.23091621  0.10104539
   0.78856070  0.44384772  0.32148105
   0.31424604  0.10801059  0.64916158
   0.19436336  0.73383156  0.77241373
   0.02141203  1.12881394  0.12808012
   0.21645321  1.04447143  0.01514617
   0.63062664  0.39665096  0.83951517
   0.88726525  0.37482146  0.61838605
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949282    0.260517   -0.185364
    -0.000000    9.720499    0.087186
    -0.000000    0.000000   13.856887
   Si   O    H 
    32    64    10
Direct configuration=   685
   0.16498881  0.16771116 -0.02908972
   0.37138148  0.08081859  0.37939838
   0.14966718  0.39600455  0.12421280
   0.38367267  0.33743577  0.25518171
   0.12716960  0.17220142  0.49059593
   0.41320117  0.12917778  0.85614851
   0.12317950  0.42293553  0.61367914
   0.36486483  0.38521468  0.74402617
   0.11359803  0.68133770  0.01282856
   0.40724876  0.57415805  0.37028364
   0.07121902  0.90266594  0.15499159
   0.33420920  0.82567021  0.25037368
   0.18002642  0.67264295  0.48855436
   0.34796028  0.63316956  0.86524569
   0.05003240  0.92342633  0.59911147
   0.30264464  0.98372213  0.70307117
   0.64307854  0.15625182  1.00946836
   0.87140036  0.14022520  0.36189455
   0.61971592  0.43270738  0.11840900
   0.88964077  0.31286633  0.18214459
   0.62320095  0.16149802  0.49115983
   0.88765813  0.10419213  0.87306724
   0.58211317  0.42599200  0.60717343
   0.75304298  0.35320623  0.78314843
   0.59986839  0.67858724 -0.01514903
   0.91993332  0.59198454  0.38547752
   0.57080266  0.92490955  0.12732885
   0.82349586  0.85809780  0.26100270
   0.65709123  0.65454463  0.46923520
   0.86647648  0.60871494  0.87670887
   0.59779662  0.92329045  0.63505517
   0.83125413  0.86884159  0.74697201
   0.09588683  0.07316708  0.16417950
   0.36119773  0.17466888  0.27701000
   0.11357205  0.29147809  0.03559667
   0.34004815  0.42749861  0.34877941
   0.54784751  0.38485024  0.21837171
   0.29329234  0.38335797  0.16153713
   0.27343080  0.10086134  0.46763716
   0.03150439  0.16432678  0.38790642
   0.05291673  0.09270982  0.58387954
   0.45022237  0.24367973  0.76402577
   0.15763578  0.33211665  0.51632725
   0.36066688  0.46324002  0.84640528
   0.44086975  0.45209197  0.65946584
   0.21236407  0.37132753  0.70115125
   0.30193427  0.21683019 -0.08754918
   0.04090756  0.14386440  0.89571906
   0.11606043  0.55780787  0.09957132
   0.37982992  0.66097842  0.27059023
   0.10426707  0.83681255  0.04580667
   0.36313715  0.91945547  0.33971338
   0.40777142  0.87694724  0.15226050
   0.17323605  0.84049130  0.23605779
   0.33625491  0.66679883  0.45614675
   0.08256502  0.59114775  0.40927256
   0.16448251  0.58323638  0.59077431
   0.29362097  0.70632427  0.76957082
   0.11532829  0.83124949  0.50846051
   0.37556776  0.98449126  0.81151922
   0.43463313  0.90373325  0.65323521
   0.15408310  0.91987316  0.69251458
   0.26401044  0.65221444 -0.03731651
   0.01443597  0.64267585  0.92682331
   0.59571670  0.08523169  0.11002871
   0.81368296  0.21234266  0.26178264
   0.60250258  0.32011128  0.02813329
   0.87760205  0.44804150  0.34477603
   0.04202559  0.36100110  0.20844500
   0.77409035  0.42635000  0.14328662
   0.77299738  0.18077165  0.44897279
   0.52418552  0.09722233  0.40541875
   0.63262245  0.06632420  0.58567029
   0.80586502  0.19726414  0.78886065
   0.55762344  0.30775453  0.52925392
   0.86149353  0.44552104  0.84487199
   0.96719014  0.41556163  0.64764063
   0.72381288  0.38388818  0.66449338
   0.79889327  0.13026407  0.97593768
   0.54991665  0.09318643  0.92152834
   0.55904702  0.58663304  0.08202792
   0.87457906  0.70995051  0.30652069
   0.59237905  0.83431988  0.02752303
   0.84529812  0.96496245  0.34877324
   0.91096726  0.87321095  0.15961528
   0.66939665  0.87979706  0.21838605
   0.82335972  0.62380610  0.47210049
   0.57873439  0.56914096  0.38552786
   0.60002267  0.57763497  0.56176641
   0.84507459  0.70138930  0.77542394
   0.61621563  0.81568850  0.43509356
   0.87852266  0.94561275  0.84385152
   0.91862985  0.87699285  0.65310140
   0.67144827  0.89581857  0.73943180
   0.75438487  0.65052197  0.95159456
   0.49508491  0.68709396  0.89182369
   0.66416809  0.80676836  0.57713862
   0.61139252  0.83437066  0.36616840
   0.91170662  0.23045719  0.09569668
   0.78783204  0.44202626  0.31585663
   0.30996699  0.11088700  0.64397923
   0.19398017  0.73388028  0.76843678
   0.02008446  1.12126629  0.12689947
   0.22190679  1.04011743  0.01656731
   0.63129200  0.39159073  0.83685865
   0.87533318  0.37496001  0.61499516
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949472    0.261851   -0.184515
    -0.000000    9.722000    0.088594
    -0.000000    0.000000   13.855417
   Si   O    H 
    32    64    10
Direct configuration=   686
   0.16500647  0.16738286 -0.02959097
   0.37131299  0.08136046  0.37982415
   0.14836534  0.39667633  0.12436686
   0.38509143  0.33833369  0.25405435
   0.12661595  0.17174276  0.49032286
   0.41322460  0.12839507  0.85516184
   0.12099158  0.42333792  0.61347487
   0.36367277  0.38405879  0.74432380
   0.11414710  0.68124147  0.01310167
   0.40550072  0.57543734  0.37011525
   0.07168844  0.90346947  0.15514845
   0.33301545  0.82638187  0.25047882
   0.18037836  0.67354299  0.48708038
   0.34719846  0.63432011  0.86489979
   0.05053561  0.92297932  0.59908232
   0.30369901  0.98259644  0.70325139
   0.64221804  0.15699360  1.00924805
   0.87196713  0.13977017  0.36147465
   0.61905901  0.43235438  0.11869182
   0.88873183  0.31351349  0.18235546
   0.62336305  0.16204394  0.49192853
   0.88732861  0.10466063  0.87249210
   0.58299228  0.42644855  0.60787435
   0.75254231  0.35354374  0.78310398
   0.59883365  0.67863100 -0.01448890
   0.92045573  0.59309103  0.38514079
   0.57078131  0.92498099  0.12766470
   0.82265222  0.85846962  0.26098865
   0.65749244  0.65347728  0.46909831
   0.86592919  0.60809644  0.87542938
   0.59785678  0.92218697  0.63398448
   0.83132646  0.86771147  0.74681984
   0.09611953  0.07322503  0.16524227
   0.35942673  0.17504900  0.27506080
   0.11539356  0.29278868  0.03532118
   0.33878978  0.42792178  0.34878513
   0.54773100  0.38517789  0.21827492
   0.29583168  0.38544928  0.16080230
   0.27343299  0.09986781  0.46753764
   0.03078333  0.16441866  0.38832262
   0.05341627  0.09423607  0.58480356
   0.44884375  0.24499178  0.76368815
   0.15665602  0.33105877  0.51550236
   0.36056744  0.46386451  0.84687952
   0.44077781  0.45155336  0.65761642
   0.21276617  0.37117839  0.70092381
   0.29946239  0.21622499 -0.08654207
   0.03989571  0.14356657  0.89577473
   0.11513168  0.55934825  0.09903683
   0.37839394  0.66028661  0.26922442
   0.10414561  0.83575796  0.04551765
   0.36239813  0.91865054  0.33970629
   0.40736386  0.87552966  0.15282986
   0.17569614  0.84277857  0.23579523
   0.33671733  0.66680971  0.45692088
   0.08393307  0.59244234  0.40809414
   0.16464513  0.58203909  0.59137226
   0.29212058  0.70741447  0.76845967
   0.11542295  0.83156968  0.50857385
   0.37363327  0.98586975  0.81160033
   0.43768951  0.90344973  0.65458155
   0.15470242  0.92144719  0.69254639
   0.26257237  0.65426856 -0.03682285
   0.01583901  0.64263569  0.92649480
   0.59539246  0.08274099  0.10888080
   0.81633415  0.21240794  0.26106493
   0.60313942  0.31980720  0.02717101
   0.87889851  0.44701266  0.34518422
   0.04232639  0.36129511  0.20880454
   0.77450678  0.42560241  0.14398543
   0.77162667  0.18304715  0.44907811
   0.52437050  0.09725733  0.40525695
   0.63017292  0.06717466  0.58544721
   0.80771796  0.19755704  0.78989330
   0.55641264  0.30827593  0.52855117
   0.86187556  0.44524944  0.84432741
   0.96663497  0.41344106  0.64807913
   0.72421870  0.38345295  0.66476259
   0.79833760  0.13051911  0.97649934
   0.55053271  0.09282406  0.92053741
   0.55940003  0.58569478  0.08205442
   0.87516720  0.70995447  0.30504133
   0.59138869  0.83506067  0.02880919
   0.84590051  0.96630758  0.34877997
   0.90923691  0.87364501  0.16033444
   0.66722788  0.88036378  0.21822281
   0.82219746  0.62333939  0.47237528
   0.57762727  0.56770345  0.38452847
   0.59899296  0.57803762  0.56170997
   0.84534954  0.70188395  0.77643377
   0.61565911  0.81668054  0.43701040
   0.88022861  0.94455685  0.84285296
   0.91837640  0.87532745  0.65380919
   0.67049687  0.89563710  0.73975203
   0.75539620  0.65107336  0.95223074
   0.49516221  0.68786093  0.89284991
   0.66017551  0.80770094  0.58144395
   0.61909339  0.83649961  0.36732964
   0.91548097  0.22486306  0.08848962
   0.78795247  0.44453548  0.31113893
   0.30379977  0.11510087  0.63983969
   0.20042577  0.73084260  0.76428853
   0.02066745  1.11449063  0.12597254
   0.22727461  1.03620400  0.01725493
   0.63375281  0.39096658  0.83332478
   0.87753652  0.37768202  0.61498056
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949743    0.263499   -0.183400
    -0.000000    9.723331    0.089052
    -0.000000    0.000000   13.854266
   Si   O    H 
    32    64    10
Direct configuration=   687
   0.16517115  0.16639088 -0.03010420
   0.37135051  0.08215850  0.38014656
   0.14709312  0.39741985  0.12440191
   0.38673396  0.33895339  0.25307709
   0.12521342  0.17110183  0.48967861
   0.41373546  0.12752946  0.85424051
   0.11838443  0.42309841  0.61337359
   0.36260119  0.38326880  0.74464093
   0.11511497  0.68049518  0.01331948
   0.40430607  0.57644746  0.36998667
   0.07185049  0.90365447  0.15538590
   0.33189543  0.82624162  0.25062065
   0.18046895  0.67462720  0.48565573
   0.34674966  0.63483728  0.86469556
   0.05134187  0.92228245  0.59893538
   0.30511785  0.98177353  0.70278712
   0.64114596  0.15788328  1.00883414
   0.87226371  0.13889903  0.36103099
   0.61835744  0.43294753  0.11896803
   0.88776659  0.31341088  0.18231128
   0.62320909  0.16267852  0.49243812
   0.88697940  0.10495831  0.87167994
   0.58402777  0.42719735  0.60878903
   0.75178378  0.35409226  0.78317065
   0.59777010  0.67902113 -0.01379025
   0.92097480  0.59403048  0.38458830
   0.57030488  0.92448727  0.12722739
   0.82169221  0.85813758  0.26041105
   0.65822267  0.65328661  0.46886333
   0.86570467  0.60794406  0.87395357
   0.59816042  0.92155410  0.63318660
   0.83127999  0.86670696  0.74706308
   0.09684699  0.07397219  0.16635065
   0.35784274  0.17600898  0.27338332
   0.11724365  0.29434102  0.03540179
   0.33796333  0.42800123  0.34896477
   0.54673108  0.38546116  0.21841670
   0.29867747  0.38706214  0.16027210
   0.27283754  0.09864892  0.46730534
   0.03013200  0.16536892  0.38917945
   0.05379482  0.09585199  0.58514718
   0.44772441  0.24526752  0.76406218
   0.15588070  0.33015777  0.51468704
   0.36037555  0.46517441  0.84778169
   0.44091300  0.45148379  0.65567941
   0.21325434  0.37153403  0.70151777
   0.29733968  0.21567465 -0.08568158
   0.03880159  0.14304268  0.89625935
   0.11390103  0.56094302  0.09811645
   0.37692906  0.66062956  0.26754000
   0.10339459  0.83530907  0.04575066
   0.36143435  0.91866428  0.34007253
   0.40875237  0.87456166  0.15374330
   0.17703809  0.84589621  0.23562771
   0.33658716  0.66701014  0.45740610
   0.08566618  0.59348008  0.40685452
   0.16500629  0.58166882  0.59144222
   0.29043173  0.70834758  0.76754560
   0.11469709  0.83185662  0.50897907
   0.37172871  0.98672927  0.81160570
   0.44020180  0.90284701  0.65570224
   0.15568605  0.92308344  0.69281306
   0.26037722  0.65667340 -0.03609190
   0.01646098  0.64105707  0.92643587
   0.59586860  0.08057862  0.10792758
   0.81920045  0.21304630  0.26082122
   0.60328724  0.31928782  0.02595100
   0.87968237  0.44565406  0.34550245
   0.04264274  0.36142596  0.20877083
   0.77462558  0.42460396  0.14484759
   0.77122692  0.18457545  0.44889655
   0.52530619  0.09754624  0.40522120
   0.62823115  0.06787334  0.58582032
   0.80945650  0.19732514  0.79109804
   0.55557906  0.30847638  0.52758173
   0.86232824  0.44452051  0.84408441
   0.96623797  0.41207095  0.64801819
   0.72556032  0.38297000  0.66503053
   0.79784112  0.13046707  0.97653354
   0.55051446  0.09292241  0.92048477
   0.56036053  0.58441806  0.08178426
   0.87567295  0.71058835  0.30287430
   0.59133652  0.83572199  0.03064096
   0.84785622  0.96717232  0.34861613
   0.90748995  0.87382056  0.16116798
   0.66530182  0.88100003  0.21877906
   0.82081814  0.62337326  0.47277167
   0.57586278  0.56614485  0.38378800
   0.59808732  0.57845395  0.56181298
   0.84633889  0.70259149  0.77759958
   0.61486808  0.81790887  0.43927562
   0.88167923  0.94327648  0.84216495
   0.91763351  0.87399173  0.65397898
   0.66878915  0.89604325  0.74039926
   0.75576518  0.65092326  0.95245618
   0.49552532  0.68883576  0.89393826
   0.65776393  0.81032777  0.58413651
   0.62614218  0.83719976  0.37060468
   0.91551912  0.22287294  0.08781959
   0.79224445  0.44951214  0.31142948
   0.29548633  0.11743928  0.63740973
   0.19757859  0.73172469  0.75593264
   0.02599206  1.11074613  0.12511323
   0.23078455  1.03441775  0.01870319
   0.62952867  0.38949820  0.83251690
   0.89083126  0.38504973  0.61951003
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949815    0.265081   -0.182218
    -0.000000    9.724242    0.089107
    -0.000000    0.000000   13.853004
   Si   O    H 
    32    64    10
Direct configuration=   688
   0.16518804  0.16503633 -0.03017587
   0.37093653  0.08231783  0.37994365
   0.14565105  0.39878788  0.12439282
   0.38851806  0.33926164  0.25274255
   0.12406338  0.17041692  0.48896749
   0.41455790  0.12729528  0.85411616
   0.11646372  0.42282192  0.61252282
   0.36124665  0.38280726  0.74474409
   0.11597656  0.67944438  0.01362447
   0.40345932  0.57724726  0.36996393
   0.07165703  0.90402675  0.15523196
   0.33105743  0.82615354  0.25039433
   0.18086392  0.67511322  0.48465007
   0.34610076  0.63482989  0.86467678
   0.05239060  0.92164346  0.59888651
   0.30691819  0.98043970  0.70182976
   0.63990565  0.15832245  1.00852112
   0.87229202  0.13812602  0.36107069
   0.61670148  0.43340551  0.11907752
   0.88742994  0.31306552  0.18223270
   0.62281975  0.16342891  0.49286465
   0.88602837  0.10471009  0.87132528
   0.58476662  0.42743873  0.60926791
   0.75139453  0.35459362  0.78325589
   0.59752798  0.67965860 -0.01346738
   0.92161488  0.59520479  0.38378134
   0.56933006  0.92351213  0.12644087
   0.82054847  0.85756448  0.25998956
   0.65887564  0.65345145  0.46837431
   0.86556893  0.60781415  0.87261135
   0.59833626  0.92101748  0.63223294
   0.83106431  0.86424785  0.74723548
   0.09752849  0.07366025  0.16800201
   0.35715306  0.17724058  0.27180098
   0.11825855  0.29660199  0.03623254
   0.33704107  0.42775062  0.34871116
   0.54536982  0.38517928  0.21847691
   0.30123432  0.38752022  0.15941593
   0.27192832  0.09764518  0.46689216
   0.02984783  0.16653504  0.39008479
   0.05413305  0.09707197  0.58494206
   0.44711626  0.24460281  0.76501771
   0.15413122  0.32934653  0.51427329
   0.35987923  0.46610523  0.84837063
   0.44192217  0.45188710  0.65442579
   0.21317465  0.37091005  0.70244497
   0.29515217  0.21408262 -0.08521096
   0.03783443  0.14225187  0.89708020
   0.11203457  0.56231227  0.09736692
   0.37525065  0.66150904  0.26600446
   0.10194939  0.83566208  0.04706997
   0.36125585  0.91910104  0.34100950
   0.41016411  0.87474308  0.15437929
   0.17762744  0.84730535  0.23524690
   0.33619553  0.66811316  0.45812242
   0.08688784  0.59446115  0.40554746
   0.16512953  0.58106390  0.59138130
   0.28952997  0.70913337  0.76654226
   0.11379672  0.83167066  0.50918315
   0.37003828  0.98791229  0.81141200
   0.44143175  0.90229841  0.65619173
   0.15681268  0.92373471  0.69361859
   0.25942451  0.65952801 -0.03514567
   0.01658795  0.63977772  0.92619147
   0.59627297  0.07903061  0.10694800
   0.82213803  0.21318068  0.26046676
   0.60358496  0.31929281  0.02503966
   0.88067231  0.44421796  0.34571087
   0.04315272  0.36156769  0.20890895
   0.77535356  0.42359405  0.14591730
   0.77122055  0.18633331  0.44843517
   0.52611141  0.09812251  0.40553697
   0.62627133  0.06830436  0.58628165
   0.81148414  0.19660979  0.79168603
   0.55511853  0.30926515  0.52698204
   0.86222036  0.44488344  0.84364817
   0.96720078  0.41109255  0.64858694
   0.72704523  0.38167078  0.66553813
   0.79724227  0.13007682  0.97688722
   0.55022599  0.09214459  0.91995952
   0.56121716  0.58297541  0.08161375
   0.87625266  0.71074612  0.30052714
   0.59157391  0.83588365  0.03215686
   0.85002880  0.96821268  0.34909137
   0.90592292  0.87477520  0.16168520
   0.66415673  0.88089910  0.21975420
   0.81931794  0.62414604  0.47303370
   0.57358770  0.56397924  0.38314235
   0.59824994  0.57853455  0.56201760
   0.84716203  0.70300162  0.77801198
   0.61440234  0.81780004  0.44154850
   0.88292791  0.94208504  0.84192939
   0.91767398  0.87210732  0.65408535
   0.66698562  0.89657629  0.74101748
   0.75642916  0.65125294  0.95237285
   0.49657548  0.68944141  0.89444747
   0.65771154  0.81001635  0.58403199
   0.63138379  0.83897762  0.37425997
   0.91585077  0.22719826  0.09289216
   0.79587648  0.45630966  0.31581145
   0.29093222  0.11559638  0.63956305
   0.19465467  0.73586702  0.74942982
   0.02668748  1.11226622  0.12260536
   0.23240568  1.03418161  0.01555480
   0.62514958  0.38653186  0.83067132
   0.88738386  0.38261547  0.61725977
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950472    0.266806   -0.181272
    -0.000000    9.725007    0.089985
    -0.000000    0.000000   13.852289
   Si   O    H 
    32    64    10
Direct configuration=   689
   0.16563169  0.16358612 -0.03002530
   0.37101310  0.08206403  0.37937115
   0.14450354  0.40101415  0.12457832
   0.39022890  0.33989435  0.25223828
   0.12328636  0.16973792  0.48860443
   0.41596673  0.12744652  0.85388460
   0.11489951  0.42253896  0.61139114
   0.35971241  0.38279783  0.74509268
   0.11702734  0.67807715  0.01413646
   0.40322929  0.57844540  0.36947003
   0.07050549  0.90489342  0.15485866
   0.33083885  0.82607236  0.25041708
   0.18036364  0.67523562  0.48426015
   0.34517543  0.63491661  0.86478254
   0.05333011  0.92108266  0.59892016
   0.30881363  0.97927740  0.70116172
   0.63822926  0.15832763  1.00817414
   0.87217423  0.13776236  0.36131381
   0.61536948  0.43343107  0.11930970
   0.88754826  0.31268738  0.18187708
   0.62248025  0.16379161  0.49274667
   0.88600547  0.10419603  0.87141690
   0.58548758  0.42826174  0.61013271
   0.75127438  0.35511076  0.78363990
   0.59744404  0.68021658 -0.01346834
   0.92263128  0.59599697  0.38312684
   0.56784370  0.92224696  0.12575002
   0.81943547  0.85694397  0.25977271
   0.65954595  0.65346584  0.46821433
   0.86534524  0.60819322  0.87174067
   0.59821885  0.92038650  0.63128021
   0.83050231  0.86157367  0.74793592
   0.09779191  0.07302801  0.16891840
   0.35590088  0.17822258  0.27036101
   0.11879918  0.29863112  0.03649363
   0.33658263  0.42764131  0.34805488
   0.54337269  0.38464599  0.21833656
   0.30327898  0.38815307  0.15836049
   0.27113512  0.09676075  0.46629532
   0.02952407  0.16682050  0.39081466
   0.05425544  0.09857269  0.58498130
   0.44668350  0.24343872  0.76614584
   0.15301103  0.32875953  0.51408634
   0.35904339  0.46672700  0.84845153
   0.44256669  0.45168534  0.65384542
   0.21281503  0.37064321  0.70307571
   0.29427232  0.21202332 -0.08514838
   0.03687610  0.14119149  0.89741410
   0.11096910  0.56384030  0.09670210
   0.37414165  0.66326572  0.26477997
   0.09977422  0.83692723  0.04876880
   0.36165958  0.91984805  0.34217087
   0.41110907  0.87528078  0.15525712
   0.17755264  0.84768887  0.23429355
   0.33585306  0.66874796  0.45869956
   0.08836652  0.59534685  0.40401496
   0.16589260  0.58041246  0.59102157
   0.28946117  0.70954952  0.76517325
   0.11322230  0.83110661  0.50960853
   0.36825205  0.98852510  0.81104531
   0.44188598  0.90171003  0.65627265
   0.15730702  0.92444924  0.69462860
   0.25944949  0.66223933 -0.03440737
   0.01600990  0.63897914  0.92570024
   0.59651605  0.07815711  0.10609446
   0.82589444  0.21315621  0.26013035
   0.60310083  0.32009019  0.02385242
   0.88204518  0.44247524  0.34588453
   0.04330625  0.36164779  0.20951316
   0.77616077  0.42378077  0.14647591
   0.77231223  0.18765781  0.44810009
   0.52679199  0.09847344  0.40644654
   0.62486396  0.06969624  0.58663499
   0.81334937  0.19661345  0.79145311
   0.55503541  0.30970512  0.52642474
   0.86121922  0.44576457  0.84357547
   0.96851216  0.41037065  0.64881874
   0.72845359  0.38045592  0.66619498
   0.79755598  0.12992898  0.97711746
   0.55012244  0.09207341  0.91958017
   0.56191305  0.58063243  0.08120835
   0.87737952  0.71036866  0.29806113
   0.59102276  0.83548217  0.03335383
   0.85170181  0.96934932  0.34909621
   0.90539526  0.87594790  0.16254224
   0.66280842  0.88048133  0.22081724
   0.81796508  0.62527316  0.47303584
   0.57112440  0.56258326  0.38247730
   0.59796763  0.57999859  0.56203280
   0.84798527  0.70332634  0.77868750
   0.61510285  0.81767781  0.44319773
   0.88361142  0.94145817  0.84113022
   0.91791050  0.86971258  0.65409689
   0.66528492  0.89650339  0.74179799
   0.75682533  0.65181128  0.95312889
   0.49694427  0.68922608  0.89457485
   0.65995594  0.80397581  0.58009406
   0.63535053  0.84071526  0.37571218
   0.91175302  0.23210994  0.09882615
   0.78918727  0.46084448  0.31748212
   0.29139066  0.10953537  0.64666382
   0.19304852  0.73921494  0.74674949
   0.03011996  1.11720867  0.12234724
   0.22663132  1.03624545  0.01591685
   0.62234285  0.38090299  0.83344153
   0.87844692  0.38030619  0.61173905
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951114    0.268516   -0.180302
    -0.000000    9.725980    0.090693
    -0.000000    0.000000   13.851271
   Si   O    H 
    32    64    10
Direct configuration=   690
   0.16653067  0.16197152 -0.03005640
   0.37122006  0.08142479  0.37876039
   0.14370531  0.40297209  0.12460262
   0.39226604  0.34059982  0.25182110
   0.12301159  0.16969589  0.48855623
   0.41742900  0.12846569  0.85345333
   0.11404840  0.42249518  0.61021307
   0.35847894  0.38296371  0.74501565
   0.11804069  0.67678834  0.01423372
   0.40290229  0.57902869  0.36925696
   0.06936186  0.90570047  0.15446449
   0.33095892  0.82599620  0.25032029
   0.17887173  0.67520004  0.48441541
   0.34410629  0.63486485  0.86514175
   0.05451595  0.92115590  0.59909365
   0.31033599  0.97881889  0.70019740
   0.63667698  0.15819079  1.00795908
   0.87205518  0.13788383  0.36120498
   0.61464360  0.43259861  0.11898040
   0.88860174  0.31220586  0.18146233
   0.62206281  0.16363694  0.49286715
   0.88607715  0.10387368  0.87184501
   0.58639414  0.42850667  0.61027173
   0.75189771  0.35556284  0.78419304
   0.59744953  0.68103801 -0.01393068
   0.92368610  0.59747845  0.38220827
   0.56663097  0.92104890  0.12516456
   0.81825118  0.85654375  0.25973075
   0.65939413  0.65383655  0.46798861
   0.86415479  0.60932089  0.87157718
   0.59846379  0.92023378  0.63009030
   0.83004293  0.85908648  0.74876924
   0.09800985  0.07298739  0.16955053
   0.35401077  0.17944497  0.26923040
   0.11948060  0.29919702  0.03622946
   0.33646554  0.42826996  0.34734993
   0.54129043  0.38424743  0.21818834
   0.30487542  0.38796008  0.15672999
   0.26986167  0.09604095  0.46538035
   0.02913996  0.16651966  0.39138024
   0.05404263  0.09920740  0.58486837
   0.44585004  0.24207435  0.76783254
   0.15240813  0.32871091  0.51437448
   0.35800110  0.46731661  0.84851997
   0.44233385  0.45187629  0.65330932
   0.21189797  0.37002134  0.70389753
   0.29377990  0.21123888 -0.08539055
   0.03590244  0.14046212  0.89782832
   0.11076221  0.56503265  0.09637705
   0.37370934  0.66445470  0.26313463
   0.09699582  0.83841766  0.05028100
   0.36172208  0.92073276  0.34335605
   0.41192566  0.87613562  0.15649040
   0.17685683  0.84791953  0.23349204
   0.33570127  0.66910843  0.45855890
   0.08955784  0.59690003  0.40245355
   0.16707293  0.58007325  0.59044867
   0.28933479  0.70987382  0.76386068
   0.11256680  0.83009199  0.50988678
   0.36661986  0.98927670  0.81073237
   0.44219181  0.90121159  0.65646423
   0.15739635  0.92437378  0.69536824
   0.25959858  0.66537545 -0.03397118
   0.01442143  0.63843701  0.92521352
   0.59608729  0.07799038  0.10530875
   0.82882577  0.21327022  0.26032796
   0.60292907  0.32079178  0.02291165
   0.88205535  0.44114951  0.34633103
   0.04345357  0.36162674  0.21018282
   0.77640876  0.42435911  0.14708343
   0.77459152  0.18834459  0.44816395
   0.52754728  0.09951614  0.40750852
   0.62351196  0.07031346  0.58755350
   0.81496873  0.19821562  0.79105772
   0.55528606  0.31090048  0.52598169
   0.85934679  0.44666728  0.84348654
   0.96867564  0.41035857  0.64881076
   0.73002116  0.37943761  0.66660554
   0.79787329  0.13069390  0.97724711
   0.54958953  0.09122084  0.92016698
   0.56291111  0.57906356  0.08120573
   0.87768971  0.71049335  0.29635307
   0.59133049  0.83486069  0.03399551
   0.85325303  0.97060570  0.34829561
   0.90504430  0.87757408  0.16341199
   0.66210724  0.87968616  0.22177222
   0.81770130  0.62571233  0.47358959
   0.56923840  0.56175216  0.38170107
   0.59823545  0.58137909  0.56223708
   0.84944788  0.70340373  0.77869186
   0.61593237  0.81812534  0.44407182
   0.88385708  0.94131655  0.84057313
   0.91825200  0.86755938  0.65376026
   0.66511602  0.89620847  0.74204951
   0.75684423  0.65245862  0.95367685
   0.49808456  0.68928901  0.89430507
   0.66538538  0.79930386  0.57674063
   0.63585687  0.84398495  0.37929281
   0.90703759  0.23223292  0.10134522
   0.78349104  0.46102112  0.32032066
   0.29413944  0.10677594  0.65284581
   0.19860096  0.73912545  0.74719968
   0.03359904  1.12494383  0.12467906
   0.21913145  1.03904207  0.01574285
   0.62330260  0.37615823  0.83424770
   0.88181611  0.38220116  0.60876729
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951495    0.269801   -0.179123
    -0.000000    9.726896    0.091378
    -0.000000    0.000000   13.850356
   Si   O    H 
    32    64    10
Direct configuration=   691
   0.16725019  0.16060792 -0.02987250
   0.37181077  0.08073494  0.37802909
   0.14344081  0.40474180  0.12470595
   0.39430833  0.34162537  0.25144285
   0.12265680  0.17013617  0.48856924
   0.41874661  0.12990219  0.85306407
   0.11413625  0.42303557  0.60909534
   0.35729178  0.38294050  0.74504994
   0.11916633  0.67627572  0.01459018
   0.40341684  0.57987467  0.36876598
   0.06762107  0.90663904  0.15448687
   0.33115127  0.82577236  0.25046507
   0.17706937  0.67524345  0.48478337
   0.34299690  0.63502933  0.86542495
   0.05625073  0.92154985  0.59949123
   0.31174896  0.97845718  0.69924224
   0.63519304  0.15820607  1.00730408
   0.87165373  0.13815737  0.36091831
   0.61443277  0.43138697  0.11879681
   0.88970907  0.31117153  0.18162074
   0.62148151  0.16313775  0.49276476
   0.88586469  0.10364724  0.87260151
   0.58749078  0.42877029  0.60986536
   0.75248281  0.35624641  0.78454154
   0.59687582  0.68244316 -0.01384369
   0.92459823  0.59913827  0.38162400
   0.56483929  0.92002678  0.12522535
   0.81710871  0.85604904  0.25979307
   0.65892559  0.65379891  0.46750615
   0.86291421  0.61009061  0.87159514
   0.59817237  0.91945563  0.62914849
   0.82947890  0.85655911  0.74987233
   0.09781417  0.07190376  0.16953068
   0.35275688  0.18002962  0.26824290
   0.11904958  0.30042931  0.03601561
   0.33607743  0.42903812  0.34646053
   0.53959251  0.38464918  0.21768691
   0.30567421  0.38788265  0.15512272
   0.26803815  0.09567521  0.46471010
   0.02846036  0.16567478  0.39232046
   0.05477205  0.09916918  0.58428685
   0.44473088  0.24005098  0.76904982
   0.15216591  0.32834937  0.51449405
   0.35832316  0.46818021  0.84902251
   0.44048499  0.45240928  0.65372710
   0.21058413  0.36947165  0.70433870
   0.29489899  0.21096431 -0.08619966
   0.03598625  0.14078919  0.89780004
   0.11107406  0.56572956  0.09640554
   0.37306138  0.66443437  0.26185057
   0.09477581  0.83932547  0.05141957
   0.36196709  0.92208889  0.34469489
   0.41326086  0.87681822  0.15743341
   0.17527307  0.84756529  0.23298447
   0.33522769  0.66926500  0.45886852
   0.09003639  0.59741205  0.40152358
   0.16885016  0.58004578  0.59042693
   0.28995793  0.70983641  0.76243859
   0.11237104  0.82969396  0.51023619
   0.36449290  0.99078086  0.81021329
   0.44245236  0.90068435  0.65619483
   0.15766922  0.92333513  0.69557442
   0.26011845  0.66704375 -0.03373581
   0.01192610  0.63796594  0.92446173
   0.59601380  0.07764487  0.10502406
   0.83091469  0.21272340  0.26054549
   0.60304795  0.32146817  0.02240294
   0.88136967  0.43923929  0.34669164
   0.04332325  0.36100295  0.21090481
   0.77676590  0.42447233  0.14748670
   0.77683130  0.18835368  0.44855831
   0.52820690  0.10029411  0.40818864
   0.62307061  0.07095870  0.58857069
   0.81575692  0.20016766  0.79050970
   0.55546650  0.31226574  0.52556155
   0.85758928  0.44801402  0.84308461
   0.96873432  0.40942738  0.64862461
   0.73044419  0.37908013  0.66640588
   0.79929707  0.13073073  0.97756690
   0.54885080  0.09021617  0.92054039
   0.56358045  0.57806614  0.08136996
   0.87875744  0.71074871  0.29509342
   0.59140945  0.83368654  0.03425671
   0.85473475  0.97151616  0.34758746
   0.90510442  0.87929795  0.16429419
   0.66176520  0.87869797  0.22235908
   0.81836169  0.62606575  0.47380695
   0.56695853  0.56145269  0.38148802
   0.59806689  0.58327057  0.56232654
   0.85105252  0.70344172  0.77872448
   0.61655914  0.81840079  0.44493144
   0.88479976  0.94234474  0.84031815
   0.91836127  0.86605695  0.65295849
   0.66471848  0.89643202  0.74180921
   0.75723579  0.65313919  0.95431348
   0.49875728  0.68914589  0.89404793
   0.66549261  0.80162962  0.57724041
   0.63187958  0.85098425  0.38102028
   0.90644442  0.22395985  0.09952656
   0.78237485  0.45589276  0.32486821
   0.29721456  0.11180185  0.65862830
   0.20149912  0.73730605  0.74771755
   0.04050411  1.13223679  0.12748303
   0.21266780  1.03676560  0.01703909
   0.62356075  0.37263016  0.83411902
   0.89347905  0.38992607  0.60948151
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951861    0.270505   -0.178127
    -0.000000    9.727668    0.092515
    -0.000000    0.000000   13.849295
   Si   O    H 
    32    64    10
Direct configuration=   692
   0.16798100  0.15974971 -0.02967985
   0.37299185  0.08027624  0.37712482
   0.14324084  0.40667519  0.12490263
   0.39588998  0.34240433  0.25121116
   0.12246701  0.17085226  0.48822872
   0.41972059  0.13119275  0.85273507
   0.11425808  0.42321344  0.60767198
   0.35635661  0.38327961  0.74539984
   0.11989265  0.67616653  0.01447917
   0.40343614  0.58047899  0.36843311
   0.06561064  0.90798651  0.15437601
   0.33157473  0.82577728  0.25078512
   0.17512621  0.67508920  0.48537607
   0.34253175  0.63509694  0.86600912
   0.05727140  0.92205767  0.60001512
   0.31261445  0.97824073  0.69866354
   0.63399127  0.15827772  1.00642063
   0.87160673  0.13815458  0.36063035
   0.61442960  0.43009245  0.11837405
   0.89105016  0.31003845  0.18173732
   0.62130176  0.16283703  0.49282176
   0.88546264  0.10269821  0.87335402
   0.58856424  0.42864982  0.60920229
   0.75264526  0.35759915  0.78477520
   0.59637040  0.68386313 -0.01370281
   0.92535015  0.60077646  0.38073666
   0.56365309  0.91896379  0.12577758
   0.81618005  0.85554863  0.26010816
   0.65774587  0.65324966  0.46661582
   0.86191216  0.61052549  0.87139429
   0.59797192  0.91843598  0.62836950
   0.82886213  0.85477226  0.75083939
   0.09800994  0.06991776  0.16869833
   0.35165054  0.18143729  0.26794352
   0.11928409  0.30155281  0.03563725
   0.33593883  0.42915871  0.34583458
   0.53813513  0.38521377  0.21765158
   0.30582704  0.38822291  0.15374429
   0.26561738  0.09541630  0.46425554
   0.02754547  0.16439027  0.39310493
   0.05509167  0.09949819  0.58346201
   0.44445070  0.23911422  0.76928107
   0.15223399  0.32871202  0.51497489
   0.35787059  0.46841695  0.84930097
   0.43832303  0.45366909  0.65443012
   0.20878981  0.36879525  0.70447655
   0.29671268  0.20992921 -0.08766152
   0.03663306  0.14208382  0.89775374
   0.11043919  0.56527013  0.09670020
   0.37303278  0.66327594  0.26058263
   0.09283036  0.83884934  0.05174655
   0.36181525  0.92294099  0.34635536
   0.41533771  0.87701614  0.15807123
   0.17305956  0.84684383  0.23301290
   0.33482926  0.66915063  0.45912146
   0.08918956  0.59808617  0.40087375
   0.17143069  0.58044998  0.59027877
   0.29092414  0.71005593  0.76180513
   0.11225228  0.82797060  0.51042244
   0.36222478  0.99214644  0.81041245
   0.44319574  0.89962313  0.65562548
   0.15744409  0.92272104  0.69550402
   0.26063717  0.66882148 -0.03367726
   0.00927943  0.63756162  0.92396216
   0.59629717  0.07718374  0.10518329
   0.83309244  0.21246425  0.26091860
   0.60303913  0.32197209  0.02253632
   0.88012952  0.43805890  0.34651957
   0.04326843  0.36035868  0.21110732
   0.77664598  0.42449598  0.14757758
   0.77930716  0.18803478  0.44988462
   0.52927592  0.10165173  0.40810859
   0.62261462  0.07155608  0.58913332
   0.81617531  0.20111589  0.78974048
   0.55590434  0.31361488  0.52467126
   0.85608277  0.44950754  0.84314820
   0.96863963  0.40864503  0.64880343
   0.72969656  0.37911360  0.66615381
   0.80031864  0.13145274  0.97766870
   0.54828051  0.08955306  0.92126045
   0.56401257  0.57711798  0.08147059
   0.87959350  0.71085093  0.29428253
   0.59169636  0.83130689  0.03409339
   0.85677877  0.97287795  0.34708156
   0.90547068  0.88105624  0.16529594
   0.66153591  0.87692895  0.22364078
   0.81885624  0.62706787  0.47386987
   0.56475746  0.56139197  0.38110652
   0.59858570  0.58503856  0.56237703
   0.85252418  0.70251040  0.77901093
   0.61725632  0.81917024  0.44562500
   0.88564250  0.94468153  0.83975627
   0.91789030  0.86409850  0.65202405
   0.66513780  0.89654026  0.74147792
   0.75643761  0.65370609  0.95491073
   0.49938071  0.68885792  0.89402563
   0.66644396  0.80693963  0.57740941
   0.62834164  0.85688258  0.38091338
   0.91188821  0.21010993  0.09704345
   0.78801984  0.44921408  0.33404898
   0.29954427  0.12145095  0.66266006
   0.19511862  0.74038006  0.74633281
   0.04720494  1.13881017  0.12937651
   0.20333291  1.03290686  0.02025917
   0.62208996  0.36854755  0.83424038
   0.89670533  0.39623256  0.60639727
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952290    0.270959   -0.177424
    -0.000000    9.728765    0.093897
    -0.000000    0.000000   13.847890
   Si   O    H 
    32    64    10
Direct configuration=   693
   0.16834366  0.15935817 -0.02916637
   0.37468757  0.07977387  0.37600990
   0.14335277  0.40823922  0.12457145
   0.39659849  0.34384025  0.25076845
   0.12229497  0.17113255  0.48774699
   0.42034051  0.13269432  0.85264019
   0.11516225  0.42264749  0.60659350
   0.35634273  0.38371077  0.74605446
   0.11987555  0.67636341  0.01435129
   0.40301352  0.58124309  0.36848070
   0.06379236  0.90919544  0.15407509
   0.33156228  0.82575969  0.25095472
   0.17375647  0.67467023  0.48619668
   0.34255216  0.63434910  0.86645784
   0.05781874  0.92316833  0.60093494
   0.31298176  0.97801275  0.69857085
   0.63348680  0.15783912  1.00589374
   0.87165477  0.13812029  0.36040478
   0.61469609  0.42866738  0.11836727
   0.89207087  0.30915709  0.18131997
   0.62072296  0.16288523  0.49274991
   0.88448420  0.10183317  0.87414405
   0.58992440  0.42864822  0.60868167
   0.75258331  0.35805896  0.78422273
   0.59587777  0.68539242 -0.01348474
   0.92560155  0.60185614  0.37967649
   0.56326444  0.91843957  0.12665209
   0.81538288  0.85491612  0.26021546
   0.65636261  0.65241178  0.46559128
   0.86107386  0.61009899  0.87140842
   0.59802932  0.91772736  0.62739892
   0.82805954  0.85360833  0.75154020
   0.09794638  0.06859730  0.16775600
   0.35134026  0.18300037  0.26809312
   0.11994616  0.30235404  0.03480918
   0.33593895  0.42964745  0.34530886
   0.53793585  0.38620219  0.21762170
   0.30527785  0.38907251  0.15232939
   0.26390212  0.09568254  0.46401491
   0.02698208  0.16328873  0.39375123
   0.05568097  0.09963361  0.58254016
   0.44391235  0.23888041  0.76955950
   0.15133029  0.32933990  0.51550822
   0.35724959  0.46890391  0.84903630
   0.43745803  0.45460906  0.65570182
   0.20791905  0.36775356  0.70468800
   0.29878863  0.20842375 -0.08936710
   0.03671133  0.14285019  0.89730168
   0.10990378  0.56427723  0.09703830
   0.37278475  0.66303911  0.26007235
   0.09027069  0.83729195  0.05155948
   0.36191198  0.92300972  0.34787284
   0.41750167  0.87759077  0.15889779
   0.17136723  0.84614150  0.23306156
   0.33400983  0.66826256  0.45917920
   0.08763844  0.59810915  0.40044921
   0.17324331  0.58017859  0.58991732
   0.29199449  0.71004917  0.76133466
   0.11276284  0.82718138  0.51063559
   0.36033218  0.99408200  0.81046245
   0.44359923  0.89857007  0.65512992
   0.15821152  0.92182955  0.69533650
   0.26208701  0.67041317 -0.03427247
   0.00659006  0.63771103  0.92386493
   0.59573928  0.07657109  0.10491306
   0.83482550  0.21113113  0.26092694
   0.60202816  0.32225386  0.02342661
   0.87948308  0.43726734  0.34647548
   0.04288664  0.36009107  0.21128406
   0.77629400  0.42548298  0.14780017
   0.78062581  0.18764745  0.45072289
   0.52976296  0.10412944  0.40778122
   0.62200317  0.07221054  0.58919356
   0.81609405  0.20179765  0.78896452
   0.55699756  0.31501436  0.52327049
   0.85469223  0.45100373  0.84380825
   0.96864602  0.40792943  0.64929155
   0.72933750  0.37935334  0.66568741
   0.80061605  0.13183925  0.97752163
   0.54712006  0.08822795  0.92108558
   0.56346037  0.57626627  0.08156721
   0.88090685  0.71099093  0.29407335
   0.59149007  0.82930038  0.03352458
   0.85865278  0.97470580  0.34617460
   0.90664426  0.88325216  0.16640357
   0.66145261  0.87582232  0.22513345
   0.81993702  0.62848368  0.47356425
   0.56292869  0.56105771  0.38082250
   0.60012857  0.58619820  0.56220140
   0.85330741  0.70199041  0.77882704
   0.61828998  0.81976033  0.44599430
   0.88595238  0.94660781  0.83883474
   0.91781467  0.86282290  0.65091644
   0.66513825  0.89719557  0.74058017
   0.75580753  0.65357806  0.95591886
   0.49926241  0.68841168  0.89413814
   0.66899842  0.81266272  0.57826747
   0.62614623  0.85934913  0.37875063
   0.91594851  0.20251545  0.09657235
   0.78452794  0.43865130  0.34119972
   0.30050113  0.13131387  0.66214509
   0.19684210  0.74109218  0.74670702
   0.05196263  1.14569696  0.13223526
   0.19627414  1.02665690  0.02266393
   0.62153010  0.36364818  0.83429914
   0.89246607  0.39961829  0.59928025
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952854    0.271629   -0.176794
    -0.000000    9.730511    0.095034
    -0.000000    0.000000   13.846854
   Si   O    H 
    32    64    10
Direct configuration=   694
   0.16834357  0.15974258 -0.02921361
   0.37630124  0.08000073  0.37459844
   0.14457759  0.40892095  0.12464282
   0.39652645  0.34552591  0.25052083
   0.12222194  0.17160843  0.48739055
   0.42057619  0.13384599  0.85299647
   0.11568702  0.42233829  0.60574532
   0.35619182  0.38420866  0.74669422
   0.11985528  0.67693628  0.01393038
   0.40254990  0.58184884  0.36829665
   0.06249662  0.91062060  0.15400554
   0.33104523  0.82621412  0.25119162
   0.17280974  0.67406851  0.48728744
   0.34276900  0.63315488  0.86714748
   0.05829265  0.92437604  0.60231738
   0.31357921  0.97816792  0.69814010
   0.63320497  0.15778229  1.00509068
   0.87257013  0.13775476  0.36047870
   0.61513506  0.42788068  0.11824343
   0.89357047  0.30818168  0.18075640
   0.62108805  0.16336291  0.49252034
   0.88352923  0.10184690  0.87507102
   0.59090765  0.42855814  0.60830334
   0.75257966  0.35795117  0.78341708
   0.59598619  0.68636835 -0.01312962
   0.92546981  0.60206588  0.37910161
   0.56274029  0.91806907  0.12756293
   0.81515228  0.85436136  0.25992179
   0.65630720  0.65167519  0.46421497
   0.86018156  0.60905619  0.87180479
   0.59790536  0.91771323  0.62675701
   0.82733242  0.85295233  0.75200816
   0.09777318  0.06776538  0.16677597
   0.35151490  0.18536386  0.26884071
   0.12059312  0.30266231  0.03397369
   0.33597649  0.43054423  0.34436164
   0.53810650  0.38699368  0.21740683
   0.30540544  0.39050556  0.15094032
   0.26260242  0.09568018  0.46391288
   0.02685711  0.16240547  0.39412831
   0.05678682  0.09925745  0.58151448
   0.44402550  0.23936792  0.76930827
   0.15045208  0.33065024  0.51599669
   0.35635815  0.46911068  0.84879868
   0.43708745  0.45596577  0.65766895
   0.20677660  0.36595444  0.70468740
   0.30081705  0.20741460 -0.09069709
   0.03776294  0.14397265  0.89703389
   0.11000424  0.56403968  0.09740522
   0.37294873  0.66290806  0.26050110
   0.08819837  0.83500207  0.05072207
   0.36189341  0.92258533  0.34935341
   0.41919517  0.87859542  0.15979785
   0.16900728  0.84468899  0.23321019
   0.33412811  0.66782741  0.45905030
   0.08661117  0.59774260  0.40012933
   0.17386788  0.58110901  0.58995855
   0.29341673  0.70999960  0.76091740
   0.11331974  0.82719073  0.51048556
   0.35939895  0.99529313  0.81080667
   0.44325901  0.89689375  0.65443204
   0.15851677  0.92145288  0.69518639
   0.26384388  0.67277301 -0.03499220
   0.00520016  0.63785894  0.92420187
   0.59489400  0.07627134  0.10502610
   0.83660494  0.20964597  0.26092025
   0.60101821  0.32214946  0.02393629
   0.87920424  0.43721149  0.34690882
   0.04279729  0.36033953  0.21152320
   0.77572256  0.42708761  0.14785565
   0.78136352  0.18735755  0.45079902
   0.53093120  0.10617778  0.40707519
   0.62202103  0.07218917  0.58863451
   0.81582566  0.20193642  0.78859381
   0.55805522  0.31590513  0.52268126
   0.85341676  0.45336765  0.84389226
   0.96859259  0.40699216  0.64967943
   0.72965335  0.37947083  0.66485977
   0.80044058  0.13239745  0.97736462
   0.54639743  0.08683967  0.92052694
   0.56254746  0.57625441  0.08174681
   0.88239681  0.71084303  0.29472905
   0.59161360  0.82731574  0.03348238
   0.86017828  0.97586687  0.34478496
   0.90752911  0.88639502  0.16711071
   0.66132111  0.87490861  0.22677149
   0.82145136  0.62986624  0.47284475
   0.56139538  0.56124260  0.38078163
   0.60176368  0.58661516  0.56180012
   0.85404964  0.70093867  0.77857983
   0.61936529  0.81997521  0.44639542
   0.88600633  0.94811913  0.83807387
   0.91812381  0.86258125  0.64975762
   0.66536851  0.89814018  0.73949963
   0.75488993  0.65367851  0.95665155
   0.49836127  0.68903488  0.89358248
   0.67075890  0.81841766  0.57939436
   0.62193839  0.85936039  0.37980430
   0.91780386  0.20017287  0.09833568
   0.77352248  0.42981746  0.34752647
   0.29857035  0.13298697  0.66164735
   0.20578143  0.73843537  0.74819749
   0.05434487  1.15449724  0.13641724
   0.18956489  1.02018374  0.02343346
   0.62193672  0.36046360  0.83469486
   0.89639710  0.40145568  0.59820017
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953772    0.272305   -0.175807
    -0.000000    9.732317    0.096283
    -0.000000    0.000000   13.846228
   Si   O    H 
    32    64    10
Direct configuration=   695
   0.16864810  0.16062241 -0.02926592
   0.37758791  0.08091569  0.37322915
   0.14577100  0.40852226  0.12466605
   0.39612964  0.34705428  0.25020819
   0.12281696  0.17183041  0.48706450
   0.42031317  0.13454791  0.85363259
   0.11630933  0.42227489  0.60548461
   0.35690135  0.38506503  0.74698925
   0.11883666  0.67748235  0.01330018
   0.40217032  0.58234235  0.36787958
   0.06129881  0.91196964  0.15391934
   0.33046270  0.82622467  0.25171445
   0.17191126  0.67324825  0.48803086
   0.34322150  0.63187156  0.86766571
   0.05870260  0.92571477  0.60424196
   0.31424238  0.97835286  0.69800140
   0.63296000  0.15743147  1.00419370
   0.87348338  0.13733552  0.36091174
   0.61551393  0.42732234  0.11784433
   0.89515306  0.30740355  0.18018217
   0.62124691  0.16430493  0.49240167
   0.88291125  0.10175930  0.87601212
   0.59176972  0.42874443  0.60783538
   0.75280510  0.35708736  0.78228783
   0.59662247  0.68649069 -0.01272865
   0.92569357  0.60160756  0.37833053
   0.56250082  0.91759303  0.12817003
   0.81495225  0.85415863  0.25999107
   0.65565706  0.65086235  0.46327530
   0.85950406  0.60798440  0.87231963
   0.59781143  0.91766561  0.62680373
   0.82677998  0.85307047  0.75263750
   0.09686674  0.06846995  0.16620893
   0.35216575  0.18614200  0.26982912
   0.12214659  0.30257067  0.03324845
   0.33635298  0.43196267  0.34374421
   0.53872827  0.38735699  0.21712692
   0.30620023  0.39186642  0.14967394
   0.26228838  0.09594374  0.46334357
   0.02745958  0.16149260  0.39483126
   0.05783320  0.09822570  0.58001948
   0.44463096  0.24079376  0.76903058
   0.14958029  0.33175401  0.51632485
   0.35505326  0.46922338  0.84862043
   0.43801844  0.45723099  0.65915904
   0.20543645  0.36392221  0.70461967
   0.30280504  0.20643441 -0.09139316
   0.03925332  0.14401975  0.89698715
   0.11040438  0.56452651  0.09810074
   0.37337263  0.66220557  0.26209761
   0.08562885  0.83312059  0.04990538
   0.36169108  0.92218570  0.35046924
   0.42067600  0.87987367  0.16066196
   0.16759050  0.84293790  0.23290518
   0.33389717  0.66709805  0.45847087
   0.08527582  0.59827379  0.39947327
   0.17410907  0.58178118  0.59011834
   0.29549240  0.70975929  0.76121713
   0.11460769  0.82803268  0.51036081
   0.35896577  0.99647199  0.81142421
   0.44313656  0.89537220  0.65380394
   0.15777845  0.92060399  0.69463816
   0.26610436  0.67481370 -0.03550117
   0.00415004  0.63771546  0.92451506
   0.59480559  0.07613117  0.10482153
   0.83791316  0.20772681  0.26070160
   0.59980260  0.32182024  0.02474129
   0.87864086  0.43740403  0.34738246
   0.04247411  0.36027856  0.21206616
   0.77490213  0.42816543  0.14772107
   0.78143614  0.18776573  0.45059382
   0.53213553  0.10769535  0.40666389
   0.62254814  0.07135490  0.58783306
   0.81609181  0.20308167  0.78896636
   0.55991311  0.31681549  0.52264849
   0.85185169  0.45562858  0.84410697
   0.96855972  0.40609165  0.65022714
   0.73075449  0.37911517  0.66431547
   0.80001956  0.13373358  0.97686078
   0.54642460  0.08601096  0.92017393
   0.56179823  0.57629790  0.08143902
   0.88278239  0.71073571  0.29508782
   0.59157564  0.82655761  0.03365956
   0.86170768  0.97563495  0.34332072
   0.90842272  0.88912357  0.16820731
   0.66096495  0.87367344  0.22824227
   0.82272056  0.63112723  0.47172581
   0.56077653  0.56161853  0.38090871
   0.60388617  0.58706130  0.56190065
   0.85479931  0.70020217  0.77807064
   0.62093363  0.82017046  0.44602793
   0.88645546  0.94915807  0.83769128
   0.91845065  0.86206796  0.64843150
   0.66580976  0.89937466  0.73828476
   0.75303988  0.65378610  0.95703777
   0.49680398  0.69059716  0.89333272
   0.67243471  0.81815094  0.57866478
   0.61855072  0.85669339  0.38207069
   0.91661291  0.20412877  0.10081856
   0.77451480  0.42260951  0.35427721
   0.29835794  0.12669516  0.66038573
   0.20232608  0.73645994  0.75031390
   0.05611517  1.15082530  0.14181855
   0.18554868  1.01980797  0.02337247
   0.62354555  0.36171827  0.83498521
   0.90263168  0.40952839  0.60037222
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954326    0.272925   -0.174674
    -0.000000    9.733853    0.097220
    -0.000000    0.000000   13.845231
   Si   O    H 
    32    64    10
Direct configuration=   696
   0.16863259  0.16185213 -0.02918633
   0.37894265  0.08212374  0.37170044
   0.14718394  0.40857616  0.12422812
   0.39498842  0.34807292  0.24980390
   0.12359598  0.17265804  0.48695681
   0.42001993  0.13533265  0.85424779
   0.11681904  0.42251512  0.60541619
   0.35735718  0.38571392  0.74743358
   0.11746589  0.67823241  0.01237244
   0.40178014  0.58293341  0.36754177
   0.06029202  0.91384522  0.15394688
   0.32994012  0.82628431  0.25250727
   0.17155545  0.67255018  0.48841770
   0.34343745  0.63095446  0.86811424
   0.05843799  0.92630629  0.60616157
   0.31499921  0.97916481  0.69790206
   0.63295334  0.15703929  1.00374551
   0.87445287  0.13699105  0.36088372
   0.61620238  0.42679665  0.11767564
   0.89585408  0.30686742  0.17999648
   0.62176987  0.16541886  0.49240383
   0.88252128  0.10179655  0.87708925
   0.59221977  0.42917478  0.60760228
   0.75252856  0.35580714  0.78160051
   0.59753010  0.68564689 -0.01223541
   0.92515586  0.60052713  0.37764024
   0.56271306  0.91738916  0.12905148
   0.81511491  0.85437825  0.26004510
   0.65504474  0.65039410  0.46215234
   0.85939942  0.60733159  0.87305176
   0.59776227  0.91753637  0.62706909
   0.82583378  0.85380916  0.75301032
   0.09580962  0.06914302  0.16590113
   0.35293450  0.18654840  0.27091769
   0.12394609  0.30227025  0.03307453
   0.33673765  0.43348281  0.34339332
   0.53988417  0.38770187  0.21668486
   0.30690228  0.39320889  0.14887427
   0.26298750  0.09480969  0.46244206
   0.02814284  0.16028548  0.39517673
   0.05851730  0.09643375  0.57825587
   0.44546813  0.24292242  0.76808552
   0.14867463  0.33197935  0.51589907
   0.35385209  0.46883761  0.84813537
   0.44035553  0.45822967  0.66005538
   0.20400918  0.36224618  0.70402823
   0.30362668  0.20637259 -0.09143695
   0.04023311  0.14343699  0.89701437
   0.11089082  0.56520337  0.09916863
   0.37318154  0.66323339  0.26352025
   0.08395992  0.83174759  0.04911151
   0.36182535  0.92145152  0.35106636
   0.42145172  0.88083362  0.16133547
   0.16586301  0.84151956  0.23276457
   0.33328304  0.66647111  0.45794505
   0.08365889  0.59832480  0.39907241
   0.17374774  0.58225621  0.59016704
   0.29767924  0.70911257  0.76239989
   0.11549112  0.82926899  0.51034148
   0.35801862  0.99777156  0.81105627
   0.44174874  0.89417288  0.65248644
   0.15723673  0.91936617  0.69504493
   0.26835041  0.67709984 -0.03574696
   0.00273078  0.63683161  0.92465648
   0.59497475  0.07574562  0.10420547
   0.83868451  0.20550651  0.26009113
   0.59780123  0.32089631  0.02556946
   0.87796256  0.43744311  0.34782371
   0.04316352  0.36075740  0.21229311
   0.77555142  0.42885088  0.14780015
   0.78064317  0.18895740  0.45082500
   0.53291012  0.10948235  0.40639441
   0.62247496  0.07120485  0.58679512
   0.81668858  0.20323649  0.79035670
   0.56144691  0.31787783  0.52276814
   0.85057449  0.45702698  0.84393094
   0.96849228  0.40458691  0.65063591
   0.73168984  0.37899986  0.66407689
   0.79921612  0.13468519  0.97593320
   0.54637135  0.08602570  0.92009359
   0.56090519  0.57637561  0.08055592
   0.88269049  0.71022742  0.29571699
   0.59115232  0.82667341  0.03422059
   0.86209842  0.97488117  0.34206091
   0.90886068  0.89161716  0.16903113
   0.66077865  0.87220304  0.22988681
   0.82432267  0.63222695  0.47039117
   0.56084322  0.56197992  0.38129285
   0.60528155  0.58662764  0.56191562
   0.85497452  0.69983944  0.77764783
   0.62187393  0.81979418  0.44606140
   0.88729900  0.94968652  0.83786672
   0.91798290  0.86288162  0.64704475
   0.66741410  0.90121801  0.73712051
   0.75116068  0.65469978  0.95718763
   0.49459323  0.69131454  0.89285302
   0.67550822  0.81620485  0.57629627
   0.61648765  0.85459546  0.37905626
   0.91134376  0.20861427  0.10263021
   0.78617904  0.42118072  0.36281444
   0.29419804  0.11635605  0.65835028
   0.19727011  0.73655617  0.75063900
   0.05149761  1.14831782  0.14377685
   0.18321464  1.02842934  0.02251689
   0.62682771  0.36467659  0.83258204
   0.90061370  0.41636290  0.59939681
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954574    0.273329   -0.173201
    -0.000000    9.735302    0.097759
    -0.000000    0.000000   13.844382
   Si   O    H 
    32    64    10
Direct configuration=   697
   0.16878508  0.16326912 -0.02903474
   0.37992087  0.08345678  0.36980158
   0.14795984  0.40850881  0.12424293
   0.39375929  0.34905427  0.24914562
   0.12451797  0.17335352  0.48622653
   0.42008584  0.13553735  0.85460439
   0.11765226  0.42208035  0.60605983
   0.35753875  0.38650582  0.74778551
   0.11599241  0.67895851  0.01134948
   0.40196376  0.58348323  0.36698525
   0.06005472  0.91529362  0.15392064
   0.32915416  0.82609783  0.25297317
   0.17167863  0.67149991  0.48914050
   0.34363339  0.63016007  0.86856910
   0.05777029  0.92714903  0.60798589
   0.31547042  0.98015838  0.69758441
   0.63277017  0.15690547  1.00351490
   0.87574105  0.13690410  0.36098273
   0.61738465  0.42680681  0.11731095
   0.89558120  0.30729104  0.17986608
   0.62319564  0.16714382  0.49274315
   0.88194627  0.10208117  0.87805472
   0.59204213  0.43020470  0.60755345
   0.75183722  0.35439419  0.78043168
   0.59802699  0.68471040 -0.01193676
   0.92438773  0.59888049  0.37735294
   0.56311863  0.91690461  0.13009156
   0.81521964  0.85459617  0.26013102
   0.65503416  0.64956244  0.46143791
   0.85935077  0.60729665  0.87408113
   0.59829683  0.91748174  0.62749531
   0.82515394  0.85487432  0.75330679
   0.09496041  0.06946878  0.16549756
   0.35297839  0.18636665  0.27241786
   0.12576154  0.30234565  0.03325506
   0.33700571  0.43547002  0.34295033
   0.54112032  0.38730711  0.21643242
   0.30815551  0.39429636  0.14785422
   0.26464422  0.09391733  0.46158107
   0.02879871  0.16039394  0.39508502
   0.05914027  0.09372826  0.57690084
   0.44607967  0.24492744  0.76710122
   0.14716718  0.33216022  0.51544099
   0.35205976  0.46869980  0.84748896
   0.44280704  0.45940201  0.66120084
   0.20228075  0.36025708  0.70296022
   0.30292089  0.20641083 -0.09132812
   0.04099815  0.14261285  0.89735169
   0.11199571  0.56627611  0.09949205
   0.37316772  0.66478529  0.26518725
   0.08338580  0.83029468  0.04861955
   0.36205950  0.92084049  0.35102122
   0.42109929  0.88207988  0.16235417
   0.16522990  0.84045007  0.23259373
   0.33218544  0.66606172  0.45696933
   0.08242980  0.59760839  0.39884932
   0.17232460  0.58312450  0.59003465
   0.29909034  0.70859066  0.76419548
   0.11641107  0.83121181  0.51046028
   0.35801805  0.99850549  0.80982778
   0.44056945  0.89275197  0.65153245
   0.15720491  0.91775985  0.69574483
   0.26962411  0.67966034 -0.03569319
   0.00176936  0.63590713  0.92492483
   0.59575361  0.07561501  0.10319564
   0.83920252  0.20371089  0.25916584
   0.59528635  0.31916896  0.02608954
   0.87744218  0.43791278  0.34781051
   0.04319481  0.36090103  0.21241481
   0.77628937  0.42952082  0.14834010
   0.77992132  0.19052615  0.45126247
   0.53320886  0.11065823  0.40647726
   0.62282589  0.07114152  0.58592105
   0.81744636  0.20307626  0.79184793
   0.56230616  0.31844431  0.52288531
   0.84919272  0.45819887  0.84348072
   0.96844026  0.40405690  0.65057329
   0.73202323  0.37945264  0.66341585
   0.79798663  0.13531179  0.97546764
   0.54585769  0.08600323  0.92018227
   0.55986514  0.57592863  0.07935966
   0.88260188  0.70962402  0.29631319
   0.59145892  0.82839331  0.03414881
   0.86238041  0.97327338  0.34123973
   0.90953358  0.89345075  0.16978934
   0.65969329  0.87093905  0.23127739
   0.82515007  0.63328757  0.46966921
   0.56166417  0.56313931  0.38145313
   0.60677515  0.58480996  0.56193401
   0.85498484  0.69980046  0.77795556
   0.62260309  0.81934987  0.44551590
   0.88811253  0.94995404  0.83819401
   0.91723456  0.86413566  0.64604935
   0.66933533  0.90297861  0.73610165
   0.74955966  0.65465775  0.95675564
   0.49260005  0.69192279  0.89234536
   0.67813759  0.81612896  0.57527627
   0.61037477  0.85254093  0.37641592
   0.90803292  0.21348403  0.09978270
   0.79536786  0.42033785  0.37153010
   0.29211770  0.10636997  0.65636332
   0.20623106  0.73324113  0.75356858
   0.03664265  1.15406843  0.14358043
   0.18331122  1.03997171  0.01926591
   0.62784999  0.36688068  0.83030038
   0.89657976  0.42120898  0.59684057
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954960    0.273745   -0.171492
    -0.000000    9.736688    0.097519
    -0.000000    0.000000   13.843473
   Si   O    H 
    32    64    10
Direct configuration=   698
   0.16937074  0.16522930 -0.02927393
   0.37981181  0.08477988  0.36827363
   0.14822927  0.40804683  0.12389989
   0.39200512  0.34973065  0.24855316
   0.12558603  0.17318127  0.48544145
   0.42056768  0.13595455  0.85377436
   0.11813593  0.42154601  0.60651335
   0.35740654  0.38730694  0.74779595
   0.11450398  0.68001660  0.00979773
   0.40206628  0.58370117  0.36696305
   0.06111565  0.91645945  0.15355805
   0.32826535  0.82605610  0.25343870
   0.17171736  0.67097333  0.49018430
   0.34364422  0.63008311  0.86913651
   0.05752832  0.92815538  0.60941426
   0.31586000  0.98115742  0.69724583
   0.63226861  0.15698755  1.00359848
   0.87624790  0.13612128  0.36096860
   0.61811572  0.42683511  0.11671734
   0.89469719  0.30787799  0.17982275
   0.62511325  0.16954718  0.49311996
   0.88158849  0.10275494  0.87864811
   0.59189210  0.43132531  0.60812855
   0.75141024  0.35314471  0.77941136
   0.59804660  0.68338806 -0.01128719
   0.92367180  0.59706662  0.37729214
   0.56376195  0.91660153  0.13114086
   0.81560438  0.85441749  0.26003473
   0.65494132  0.64875645  0.46073382
   0.85851762  0.60735870  0.87503927
   0.59882211  0.91672510  0.62770495
   0.82448194  0.85663323  0.75273577
   0.09403209  0.07094590  0.16499763
   0.35347783  0.18594047  0.27461735
   0.12732014  0.30325343  0.03348724
   0.33707916  0.43749954  0.34245864
   0.54180433  0.38669389  0.21618389
   0.30939244  0.39460629  0.14699866
   0.26714688  0.09362435  0.46105664
   0.02915897  0.16084277  0.39501566
   0.05934508  0.09040972  0.57611740
   0.44668026  0.24632624  0.76625501
   0.14472246  0.33247027  0.51476877
   0.35057054  0.46818280  0.84719863
   0.44518326  0.45975402  0.66311356
   0.20113825  0.35785449  0.70267867
   0.30144199  0.20694818 -0.09083259
   0.04171273  0.14173561  0.89798459
   0.11207241  0.56822730  0.09921348
   0.37237743  0.66652684  0.26637090
   0.08298534  0.82938644  0.04802779
   0.36146478  0.91971065  0.35055044
   0.42050975  0.88371502  0.16367649
   0.16509941  0.83902160  0.23176997
   0.33031676  0.66621017  0.45581468
   0.08124845  0.59717030  0.39942244
   0.17087935  0.58371873  0.58962049
   0.30100027  0.70785088  0.76616836
   0.11717967  0.83337335  0.50989413
   0.35813332  0.99869927  0.80889695
   0.43871385  0.89082865  0.65032035
   0.15747436  0.91600728  0.69629423
   0.27023651  0.68113548 -0.03555662
   0.00130428  0.63465711  0.92563849
   0.59654196  0.07495317  0.10256316
   0.83864009  0.20294661  0.25867811
   0.59244112  0.31734054  0.02650342
   0.87867488  0.43840589  0.34742365
   0.04393875  0.36128414  0.21228769
   0.77782749  0.43011941  0.14911772
   0.77981825  0.19144513  0.45178725
   0.53284641  0.11150604  0.40669599
   0.62365902  0.07196891  0.58597994
   0.81920222  0.20246926  0.79327279
   0.56372475  0.31857329  0.52303399
   0.84804167  0.45860075  0.84257878
   0.96860967  0.40387086  0.65013642
   0.73364176  0.37960979  0.66282633
   0.79603432  0.13558795  0.97571256
   0.54531244  0.08659309  0.92001537
   0.55947853  0.57516448  0.07785560
   0.88281730  0.70873332  0.29643965
   0.59131172  0.83062870  0.03362482
   0.86202113  0.97229180  0.33995793
   0.90959548  0.89475609  0.17027272
   0.65827797  0.86956553  0.23161115
   0.82594090  0.63418445  0.46914575
   0.56289253  0.56355226  0.38180299
   0.60851703  0.58267505  0.56224883
   0.85577714  0.69971786  0.77856709
   0.62402249  0.81880174  0.44491742
   0.88882463  0.94995601  0.83792329
   0.91637077  0.86538175  0.64550164
   0.67145565  0.90443956  0.73523736
   0.74789757  0.65392219  0.95613494
   0.49137192  0.69204619  0.89209858
   0.68101762  0.81762955  0.57657213
   0.60466473  0.84898191  0.37681112
   0.90356692  0.22032156  0.09599846
   0.78846845  0.41740482  0.38295397
   0.29327623  0.10642465  0.65295345
   0.21417743  0.73109859  0.75568267
   0.02814511  1.14996674  0.14237145
   0.18862478  1.04262073  0.01993745
   0.62523226  0.36775872  0.82938611
   0.89597136  0.42588694  0.59990180
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955332    0.273777   -0.170122
    -0.000000    9.738135    0.097194
    -0.000000    0.000000   13.842496
   Si   O    H 
    32    64    10
Direct configuration=   699
   0.17030085  0.16813521 -0.02961204
   0.37907459  0.08612716  0.36716411
   0.14845554  0.40728642  0.12360584
   0.39039657  0.35026318  0.24824001
   0.12703338  0.17262544  0.48493149
   0.42088198  0.13649143  0.85282056
   0.11929372  0.42104280  0.60734515
   0.35756217  0.38795872  0.74746353
   0.11221195  0.68086173  0.00840221
   0.40274538  0.58395133  0.36691726
   0.06264582  0.91699824  0.15288190
   0.32767685  0.82627466  0.25400197
   0.17157503  0.67130897  0.49101648
   0.34386529  0.62998285  0.86995600
   0.05611203  0.92893254  0.61007190
   0.31643940  0.98156135  0.69760697
   0.63172502  0.15692096  1.00381469
   0.87626819  0.13576337  0.36131637
   0.61885040  0.42633874  0.11589647
   0.89399020  0.30892125  0.17962425
   0.62734969  0.17149068  0.49313049
   0.88152566  0.10316020  0.87916618
   0.59188676  0.43271613  0.60902162
   0.75179081  0.35188635  0.77899343
   0.59815889  0.68184907 -0.01118847
   0.92315445  0.59516378  0.37685748
   0.56478948  0.91652485  0.13217642
   0.81743260  0.85383386  0.26015718
   0.65492388  0.64828585  0.45992360
   0.85738827  0.60799721  0.87546526
   0.59872699  0.91608172  0.62746667
   0.82430733  0.85894796  0.75165695
   0.09367199  0.07280222  0.16501061
   0.35479701  0.18583415  0.27686219
   0.12840942  0.30344988  0.03344485
   0.33695735  0.43859483  0.34203753
   0.54192091  0.38512648  0.21644856
   0.30977762  0.39499266  0.14643292
   0.26907922  0.09435419  0.46037143
   0.03020647  0.16160925  0.39452597
   0.05806250  0.08703236  0.57550590
   0.44749520  0.24737362  0.76507369
   0.14272691  0.33249832  0.51387213
   0.34995046  0.46742123  0.84724102
   0.44796077  0.45951821  0.66508313
   0.20101987  0.35590668  0.70319388
   0.29967920  0.20764099 -0.08946935
   0.04223718  0.13983493  0.89880691
   0.11213383  0.56937969  0.09964422
   0.37144749  0.66832161  0.26753360
   0.08226410  0.82874035  0.04821064
   0.36076262  0.91981263  0.34926222
   0.41993594  0.88533019  0.16435240
   0.16569644  0.83823296  0.23076601
   0.32845965  0.66634621  0.45439576
   0.08020483  0.59683645  0.40060165
   0.16922100  0.58371244  0.58952564
   0.30351671  0.70630557  0.76853645
   0.11844230  0.83492688  0.50936370
   0.35943629  0.99885631  0.80799984
   0.43717819  0.88996868  0.64891835
   0.15845092  0.91456105  0.69670178
   0.27037802  0.68246361 -0.03556755
   0.00141859  0.63329536  0.92699524
   0.59750328  0.07579435  0.10276282
   0.83889788  0.20315006  0.25798309
   0.59076251  0.31563150  0.02688222
   0.87946279  0.43884671  0.34711143
   0.04449642  0.36136781  0.21169615
   0.77909517  0.43138050  0.15010824
   0.77913232  0.19233272  0.45239999
   0.53220130  0.11153685  0.40691426
   0.62376672  0.07328332  0.58640951
   0.82096923  0.20070200  0.79422274
   0.56448886  0.31896868  0.52322350
   0.84689739  0.45793821  0.84155064
   0.96890640  0.40417370  0.64948607
   0.73515078  0.38039711  0.66254333
   0.79348709  0.13614793  0.97618448
   0.54394676  0.08727666  0.91978346
   0.55935240  0.57386670  0.07649201
   0.88216416  0.70763729  0.29643935
   0.59120562  0.83275501  0.03378496
   0.86086598  0.97213169  0.33906947
   0.90920738  0.89504634  0.17081477
   0.65661771  0.86814565  0.23118374
   0.82551913  0.63463500  0.46846297
   0.56390518  0.56390625  0.38166115
   0.61042977  0.58032489  0.56255965
   0.85722052  0.69895785  0.77923611
   0.62531720  0.81758628  0.44408655
   0.88979130  0.95048280  0.83727411
   0.91564741  0.86622483  0.64586555
   0.67387716  0.90546827  0.73463472
   0.74683594  0.65334092  0.95445617
   0.49068003  0.69182344  0.89239375
   0.68021896  0.81683542  0.58134852
   0.60052672  0.84667878  0.37958374
   0.89968116  0.22553819  0.09189980
   0.79139758  0.41882607  0.39018926
   0.29596456  0.11706749  0.64638534
   0.20216870  0.73318668  0.75429218
   0.02681500  1.14269014  0.13997371
   0.19548047  1.04081734  0.02374739
   0.62009680  0.37026449  0.82933604
   0.89884407  0.43073051  0.60645429
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955538    0.273650   -0.168105
    -0.000000    9.739542    0.097149
    -0.000000    0.000000   13.841692
   Si   O    H 
    32    64    10
Direct configuration=   700
   0.17149330  0.17011222 -0.03025037
   0.37859430  0.08762488  0.36640708
   0.14807502  0.40749365  0.12313154
   0.38838716  0.35113840  0.24836233
   0.12889917  0.17144698  0.48468662
   0.42110535  0.13688099  0.85184065
   0.12008588  0.42079964  0.60850006
   0.35723198  0.38874762  0.74726013
   0.10975406  0.68089191  0.00670605
   0.40408895  0.58353387  0.36672012
   0.06446370  0.91691690  0.15216436
   0.32647013  0.82650894  0.25413256
   0.17177711  0.67254201  0.49162332
   0.34469541  0.63009966  0.87052312
   0.05462326  0.92970426  0.61005728
   0.31624311  0.98243399  0.69826512
   0.63157805  0.15679192  1.00408976
   0.87601403  0.13477921  0.36143246
   0.61987295  0.42586264  0.11555873
   0.89362236  0.31007823  0.17967870
   0.62884089  0.17347488  0.49325931
   0.88266313  0.10362071  0.87944766
   0.59127743  0.43348092  0.60929616
   0.75246229  0.35113188  0.77854961
   0.59861106  0.68072343 -0.01157118
   0.92294262  0.59409223  0.37617166
   0.56583897  0.91712176  0.13358294
   0.81900518  0.85336979  0.26076329
   0.65526511  0.64846144  0.45933289
   0.85690097  0.60877466  0.87604691
   0.59856978  0.91545183  0.62732752
   0.82440337  0.86142617  0.75091134
   0.09353598  0.07445411  0.16441683
   0.35639842  0.18671989  0.27850984
   0.12971786  0.30416653  0.03309165
   0.33777133  0.43942707  0.34160114
   0.54188751  0.38318281  0.21666734
   0.31001490  0.39585325  0.14637770
   0.27070481  0.09505910  0.45877353
   0.03066153  0.16262634  0.39357207
   0.05673902  0.08300034  0.57506117
   0.44843632  0.24703954  0.76383181
   0.14152445  0.33236418  0.51291538
   0.34929926  0.46620854  0.84725760
   0.45030097  0.45946293  0.66684476
   0.20140265  0.35504688  0.70358278
   0.29773359  0.20847026 -0.08820198
   0.04302671  0.13724859  0.89959453
   0.11234440  0.57061694  0.09978389
   0.37158338  0.67004131  0.26921830
   0.08219907  0.82842471  0.04833658
   0.35991638  0.91936373  0.34825278
   0.41847168  0.88630982  0.16531070
   0.16683417  0.83776900  0.23011162
   0.32702239  0.66669969  0.45332281
   0.07962996  0.59730379  0.40070802
   0.16683432  0.58356920  0.58979704
   0.30443187  0.70448113  0.77060841
   0.11994674  0.83649875  0.50909214
   0.36055341  0.99933197  0.80727502
   0.43551205  0.88984392  0.64729314
   0.16016762  0.91322085  0.69782030
   0.26892869  0.68363026 -0.03499439
   0.00205914  0.63236901  0.92884827
   0.59863067  0.07569827  0.10353287
   0.83871555  0.20328438  0.25688137
   0.58917322  0.31424770  0.02671849
   0.87936312  0.43909948  0.34650140
   0.04583519  0.36130263  0.21145513
   0.78064741  0.43269209  0.15071895
   0.77898952  0.19315402  0.45235008
   0.53104419  0.11177322  0.40791257
   0.62381092  0.07408684  0.58723599
   0.82217606  0.19903956  0.79513409
   0.56596247  0.31961845  0.52334051
   0.84591652  0.45642458  0.84062003
   0.96986741  0.40460552  0.64921475
   0.73540864  0.38105419  0.66244156
   0.79124611  0.13692150  0.97686121
   0.54314789  0.08786857  0.91954373
   0.55851441  0.57145278  0.07487990
   0.88180228  0.70714564  0.29666498
   0.59094735  0.83458934  0.03410895
   0.85953039  0.97186022  0.33775106
   0.90798520  0.89454416  0.17065945
   0.65569023  0.86643898  0.23095801
   0.82493136  0.63462508  0.46741564
   0.56578655  0.56439208  0.38136455
   0.61240600  0.57903126  0.56242301
   0.85890558  0.69869193  0.77996415
   0.62718144  0.81577173  0.44347182
   0.89096688  0.95095575  0.83631804
   0.91534647  0.86691025  0.64709650
   0.67568276  0.90677074  0.73413253
   0.74627165  0.65298900  0.95287153
   0.49122138  0.69144603  0.89293332
   0.68312165  0.81271054  0.58589962
   0.59755484  0.85018825  0.38077179
   0.89829169  0.23055817  0.08926502
   0.80479099  0.42179995  0.39009640
   0.30066698  0.12309961  0.64008902
   0.20513941  0.73206783  0.75625310
   0.02703741  1.13911254  0.13364662
   0.20179082  1.03744443  0.02802746
   0.62042319  0.37162707  0.82584593
   0.89421864  0.43611189  0.60985753
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956038    0.274303   -0.166179
    -0.000000    9.741240    0.097838
    -0.000000    0.000000   13.840526
   Si   O    H 
    32    64    10
Direct configuration=   701
   0.17266580  0.17135819 -0.03071873
   0.37806916  0.08861273  0.36596659
   0.14824676  0.40800260  0.12219988
   0.38626683  0.35166178  0.24795137
   0.13069405  0.17032372  0.48466583
   0.42083307  0.13707169  0.85055724
   0.12038123  0.42073938  0.60942800
   0.35685199  0.38929801  0.74706988
   0.10738471  0.68059713  0.00582920
   0.40609245  0.58365408  0.36674041
   0.06634289  0.91605706  0.15149757
   0.32573400  0.82606060  0.25412842
   0.17187033  0.67404592  0.49227318
   0.34582860  0.63024933  0.87071945
   0.05272185  0.92954879  0.61013694
   0.31593334  0.98348490  0.69857049
   0.63118277  0.15701750  1.00436183
   0.87575288  0.13343519  0.36167733
   0.62065054  0.42517861  0.11466535
   0.89318152  0.31192802  0.17970349
   0.63011798  0.17509909  0.49331039
   0.88429072  0.10368582  0.87969613
   0.59111610  0.43466295  0.60914045
   0.75326038  0.35020017  0.77790259
   0.59886942  0.67959222 -0.01190655
   0.92294242  0.59364678  0.37563620
   0.56692169  0.91788588  0.13442076
   0.82012435  0.85298942  0.26189189
   0.65576217  0.64872317  0.45903397
   0.85742122  0.60963219  0.87706446
   0.59828489  0.91507015  0.62718128
   0.82483941  0.86302300  0.75054030
   0.09314241  0.07743575  0.16351613
   0.35808408  0.18802491  0.27966675
   0.13093634  0.30533996  0.03250250
   0.33832077  0.44035048  0.34070521
   0.54087557  0.38169061  0.21624981
   0.31037312  0.39703146  0.14627108
   0.27230858  0.09571121  0.45698136
   0.03081217  0.16398214  0.39244181
   0.05626083  0.07932442  0.57500561
   0.44950702  0.24680256  0.76336119
   0.14040408  0.33236971  0.51153281
   0.34901881  0.46530743  0.84763471
   0.45232177  0.45960156  0.66788916
   0.20217738  0.35444144  0.70433791
   0.29597746  0.21019355 -0.08765438
   0.04259575  0.13487931  0.89983638
   0.11339378  0.57241306  0.10008863
   0.37103995  0.67089865  0.27058277
   0.08181157  0.82917318  0.04917800
   0.35994703  0.92023820  0.34718640
   0.41723251  0.88692613  0.16626714
   0.16738430  0.83716378  0.22939402
   0.32567880  0.66725762  0.45237007
   0.07917261  0.59797910  0.40065396
   0.16504107  0.58305985  0.59003632
   0.30416259  0.70329472  0.77180960
   0.12113287  0.83766548  0.50934966
   0.36138733  0.99978479  0.80649489
   0.43426143  0.88987706  0.64573852
   0.16259819  0.91257970  0.69824669
   0.26714922  0.68449042 -0.03425183
   0.00192418  0.63201328  0.93026546
   0.59906142  0.07566749  0.10448192
   0.83867503  0.20439546  0.25574555
   0.58789555  0.31337025  0.02703229
   0.87918417  0.44006995  0.34547913
   0.04670184  0.36172223  0.21148773
   0.78202179  0.43370626  0.15144744
   0.77964901  0.19411207  0.45265464
   0.52968170  0.11169480  0.40959012
   0.62467629  0.07416746  0.58843573
   0.82302720  0.19687047  0.79573104
   0.56724644  0.32032190  0.52242051
   0.84499145  0.45410488  0.83968404
   0.97072032  0.40515703  0.64897343
   0.73484455  0.38197586  0.66206650
   0.78959243  0.13770435  0.97758101
   0.54124010  0.08882477  0.91922189
   0.55786703  0.56945458  0.07381973
   0.88157619  0.70669403  0.29704346
   0.59026183  0.83650455  0.03452734
   0.85780858  0.97249058  0.33702868
   0.90634224  0.89456638  0.17013572
   0.65518464  0.86451242  0.23059325
   0.82440387  0.63483710  0.46632439
   0.56804991  0.56483504  0.38119637
   0.61436118  0.57891873  0.56228276
   0.86002410  0.69868074  0.77989115
   0.62810023  0.81343133  0.44245355
   0.89288175  0.95174881  0.83511244
   0.91470315  0.86838992  0.64811849
   0.67720223  0.90844555  0.73366382
   0.74622535  0.65224369  0.95165024
   0.49265729  0.69068471  0.89418166
   0.68647494  0.80987062  0.58855882
   0.59430137  0.85414125  0.38158369
   0.90048542  0.23741633  0.08965260
   0.81344722  0.42390916  0.39151177
   0.30289427  0.12316610  0.63622649
   0.21626438  0.72813444  0.75979955
   0.02741820  1.13382236  0.12723210
   0.20827057  1.03805795  0.03095118
   0.62263672  0.37101599  0.82151568
   0.89176581  0.43694473  0.61243595
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956542    0.275282   -0.164295
    -0.000000    9.742884    0.098204
    -0.000000    0.000000   13.840058
   Si   O    H 
    32    64    10
Direct configuration=   702
   0.17310186  0.17173464 -0.03056468
   0.37760330  0.08889894  0.36620788
   0.14878968  0.40859453  0.12145568
   0.38438163  0.35176853  0.24711331
   0.13215221  0.16950458  0.48458712
   0.42007867  0.13774482  0.84923567
   0.12116487  0.42132129  0.61044120
   0.35625114  0.38943951  0.74667677
   0.10544518  0.67993714  0.00499464
   0.40775676  0.58401180  0.36676291
   0.06748328  0.91493648  0.15107225
   0.32530738  0.82560159  0.25374404
   0.17201228  0.67578327  0.49242347
   0.34678258  0.63066044  0.87097170
   0.05112788  0.92841838  0.61012037
   0.31547594  0.98454598  0.69867284
   0.63111744  0.15655130  1.00492724
   0.87593870  0.13255008  0.36176246
   0.62087206  0.42469210  0.11422453
   0.89290264  0.31413385  0.17935748
   0.63098791  0.17634196  0.49331797
   0.88546306  0.10364371  0.87986979
   0.59055373  0.43593475  0.60921536
   0.75365061  0.34961182  0.77774346
   0.59916700  0.67879042 -0.01193362
   0.92245385  0.59334604  0.37541921
   0.56743780  0.91872244  0.13467202
   0.82094793  0.85332600  0.26291099
   0.65590126  0.64899419  0.45933780
   0.85758722  0.61014729  0.87813317
   0.59725703  0.91459423  0.62704536
   0.82571457  0.86432248  0.75034368
   0.09285690  0.08000182  0.16280897
   0.35864961  0.18969543  0.28033316
   0.13124098  0.30679041  0.03189199
   0.33891804  0.44045390  0.33995850
   0.53902411  0.37956198  0.21615857
   0.30999331  0.39746397  0.14570969
   0.27302591  0.09640263  0.45549341
   0.03045940  0.16530058  0.39132279
   0.05627197  0.07820054  0.57411492
   0.45000042  0.24711919  0.76330448
   0.14004317  0.33227165  0.51073294
   0.34752934  0.46427652  0.84796233
   0.45471559  0.46022482  0.66915737
   0.20325329  0.35345643  0.70530197
   0.29562589  0.21171274 -0.08786699
   0.04239486  0.13281799  0.90012494
   0.11440725  0.57371518  0.10118566
   0.37029435  0.67181469  0.27132143
   0.08142245  0.82986530  0.05006850
   0.36013385  0.92147285  0.34595566
   0.41564511  0.88750519  0.16732438
   0.16726147  0.83654912  0.22830911
   0.32486722  0.66756967  0.45167140
   0.07922433  0.59795489  0.40139203
   0.16347750  0.58256374  0.59063662
   0.30397940  0.70186700  0.77301409
   0.12261618  0.83793988  0.51014122
   0.36219046  1.00097627  0.80618966
   0.43298019  0.89070552  0.64433834
   0.16513956  0.91229842  0.69829532
   0.26533128  0.68435683 -0.03368028
   0.00173279  0.63143036  0.93148236
   0.59868229  0.07582604  0.10579508
   0.83809235  0.20493727  0.25528866
   0.58731861  0.31192395  0.02683051
   0.87899526  0.44098095  0.34455677
   0.04704141  0.36294953  0.21143438
   0.78314171  0.43585939  0.15166415
   0.78073832  0.19477138  0.45286948
   0.52870426  0.11146638  0.41128826
   0.62583784  0.07380397  0.58933019
   0.82300771  0.19481817  0.79672139
   0.56845018  0.32116485  0.52172370
   0.84370391  0.45212406  0.83900544
   0.97137526  0.40581739  0.64888656
   0.73339942  0.38303193  0.66165050
   0.78872635  0.13787978  0.97820606
   0.53990625  0.09070291  0.91896414
   0.55735787  0.56798239  0.07305421
   0.88085114  0.70668241  0.29661063
   0.58945527  0.83770488  0.03532424
   0.85636642  0.97200526  0.33652377
   0.90503757  0.89424030  0.17036680
   0.65504883  0.86275663  0.23060209
   0.82383438  0.63588793  0.46502394
   0.57120978  0.56514835  0.38093685
   0.61626103  0.58001018  0.56254365
   0.86100301  0.69951596  0.77970563
   0.62890523  0.81222085  0.44176560
   0.89425973  0.95291895  0.83442332
   0.91363936  0.86988919  0.64949710
   0.67773621  0.91078380  0.73361200
   0.74655920  0.65158663  0.95042290
   0.49443343  0.68933964  0.89580920
   0.68483525  0.80708183  0.59097312
   0.58937305  0.85604234  0.38172660
   0.90200818  0.24236690  0.09017864
   0.81391465  0.42053481  0.39876808
   0.30818955  0.11466922  0.63419052
   0.21589941  0.72651701  0.75964168
   0.02303778  1.13585903  0.11892064
   0.21565279  1.04132156  0.02945344
   0.62396646  0.36930075  0.81992942
   0.88766370  0.43654417  0.61408582
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956998    0.276471   -0.162065
    -0.000000    9.744556    0.098448
    -0.000000    0.000000   13.839620
   Si   O    H 
    32    64    10
Direct configuration=   703
   0.17318986  0.17154088 -0.03073087
   0.37714945  0.08783667  0.36672355
   0.14980853  0.40924262  0.12072960
   0.38276926  0.35207217  0.24649118
   0.13286674  0.16796581  0.48506882
   0.41857260  0.13905483  0.84869865
   0.12168879  0.42200782  0.61157775
   0.35558627  0.38946700  0.74608516
   0.10370022  0.67915789  0.00520218
   0.40925769  0.58413285  0.36656449
   0.06837195  0.91398832  0.15083612
   0.32490029  0.82579041  0.25335278
   0.17150550  0.67686985  0.49209865
   0.34756136  0.63104983  0.87138638
   0.04995588  0.92631779  0.60999497
   0.31518155  0.98510931  0.69875775
   0.63094719  0.15647140  1.00608125
   0.87584473  0.13129902  0.36149121
   0.62142048  0.42408657  0.11415675
   0.89288474  0.31628799  0.17926673
   0.63124532  0.17706510  0.49320119
   0.88658417  0.10324922  0.88032353
   0.58964581  0.43687200  0.60905582
   0.75402999  0.34900333  0.77780942
   0.59968164  0.67763237 -0.01146065
   0.92216588  0.59337928  0.37576004
   0.56817646  0.91898606  0.13450022
   0.82185479  0.85374511  0.26402633
   0.65660620  0.64886991  0.45981335
   0.85767655  0.61028728  0.87862385
   0.59655930  0.91455482  0.62684485
   0.82732122  0.86417989  0.75030194
   0.09195229  0.08207949  0.16147000
   0.35885694  0.19191754  0.28025682
   0.13145961  0.30841948  0.03111974
   0.33948709  0.44059242  0.33935555
   0.53728355  0.37802528  0.21648064
   0.30876788  0.39743487  0.14482375
   0.27380164  0.09662426  0.45386946
   0.02979535  0.16691084  0.39022768
   0.05690775  0.07853485  0.57282853
   0.45066304  0.24761651  0.76335005
   0.13967655  0.33187104  0.50991038
   0.34615882  0.46390273  0.84859689
   0.45725767  0.46066790  0.67049008
   0.20501234  0.35237397  0.70603539
   0.29622952  0.21371047 -0.08808604
   0.04240875  0.13190080  0.90075743
   0.11562449  0.57413179  0.10229440
   0.36942609  0.67277201  0.27124233
   0.08120923  0.83105200  0.05101940
   0.36063259  0.92256147  0.34463092
   0.41450073  0.88793937  0.16874174
   0.16620922  0.83661642  0.22707985
   0.32446981  0.66732177  0.45101897
   0.07958873  0.59798338  0.40207427
   0.16204554  0.58201043  0.59152516
   0.30387420  0.70030934  0.77364236
   0.12372031  0.83759654  0.51080112
   0.36386484  1.00239454  0.80651582
   0.43242984  0.89191572  0.64336034
   0.16693164  0.91279673  0.69789628
   0.26221004  0.68404423 -0.03309225
   0.00082813  0.62998602  0.93203570
   0.59771534  0.07598783  0.10688549
   0.83824737  0.20454877  0.25527828
   0.58627171  0.31122673  0.02706373
   0.87824427  0.44217114  0.34410598
   0.04812641  0.36398635  0.21051843
   0.78403487  0.43727402  0.15196591
   0.78224135  0.19630656  0.45324481
   0.52767913  0.11102598  0.41275883
   0.62708117  0.07376250  0.58930811
   0.82255798  0.19371286  0.79723321
   0.56935856  0.32269308  0.52121407
   0.84287270  0.45087252  0.83782140
   0.97140881  0.40602243  0.64937876
   0.73190659  0.38399067  0.66132582
   0.78734504  0.13787178  0.97844468
   0.53946093  0.09262721  0.91945803
   0.55732221  0.56658693  0.07197019
   0.88008568  0.70755288  0.29680109
   0.58913426  0.83869849  0.03638801
   0.85478233  0.97093317  0.33670000
   0.90500229  0.89362722  0.17043279
   0.65555012  0.86085396  0.23052777
   0.82274045  0.63708420  0.46370245
   0.57336349  0.56635100  0.38062061
   0.61757738  0.58170596  0.56235528
   0.86161203  0.69994554  0.77928470
   0.62960337  0.81178874  0.44094228
   0.89500913  0.95296859  0.83346957
   0.91293523  0.87112858  0.65083783
   0.67777354  0.91263435  0.73330902
   0.74727263  0.65229946  0.94894493
   0.49649306  0.68779890  0.89737047
   0.68200048  0.80368366  0.59359141
   0.58785969  0.85277401  0.38387989
   0.90433409  0.24525415  0.08948683
   0.81940198  0.41603371  0.40116993
   0.31299492  0.10673381  0.63669813
   0.20413683  0.72903249  0.75588779
   0.02449744  1.13387347  0.11596785
   0.22124587  1.04519527  0.02610798
   0.62309711  0.36775279  0.81919711
   0.88772755  0.43140871  0.61690161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957636    0.277254   -0.160214
    -0.000000    9.746582    0.098520
    -0.000000    0.000000   13.839312
   Si   O    H 
    32    64    10
Direct configuration=   704
   0.17278859  0.17111207 -0.03025396
   0.37702601  0.08632318  0.36720819
   0.15093543  0.40945052  0.12042236
   0.38132448  0.35263569  0.24550561
   0.13295060  0.16668281  0.48522493
   0.41673600  0.14028909  0.84837995
   0.12176903  0.42208143  0.61302639
   0.35510262  0.38992607  0.74530905
   0.10248725  0.67873263  0.00591024
   0.41030386  0.58418119  0.36615768
   0.06907053  0.91328986  0.15099054
   0.32429146  0.82651644  0.25273775
   0.17200286  0.67811294  0.49170361
   0.34819479  0.63141790  0.87183863
   0.04907858  0.92426371  0.60964780
   0.31500885  0.98527493  0.69808607
   0.63092098  0.15671580  1.00693551
   0.87509428  0.13117992  0.36135000
   0.62193034  0.42298354  0.11454329
   0.89262431  0.31862900  0.17920230
   0.63193258  0.17770180  0.49329555
   0.88780394  0.10311634  0.88084790
   0.58853184  0.43706270  0.60925118
   0.75444772  0.34803444  0.77806033
   0.60006529  0.67640116 -0.01090051
   0.92203168  0.59334714  0.37591356
   0.56851791  0.91914824  0.13452180
   0.82260408  0.85365664  0.26483836
   0.65731917  0.64904935  0.46029127
   0.85861603  0.60990820  0.87879154
   0.59601463  0.91389334  0.62671841
   0.82878063  0.86391992  0.74996708
   0.09103469  0.08369334  0.15978920
   0.35830036  0.19322928  0.28052641
   0.13183936  0.30972017  0.02983781
   0.33998977  0.44109848  0.33925677
   0.53589916  0.37651748  0.21709323
   0.30717581  0.39775760  0.14462443
   0.27469822  0.09636256  0.45229386
   0.02868864  0.16765381  0.38935308
   0.05762318  0.07876696  0.57111954
   0.45111794  0.24879878  0.76330053
   0.13979812  0.33154032  0.50969274
   0.34543296  0.46455475  0.84940479
   0.45894244  0.46108988  0.67161245
   0.20607373  0.35121170  0.70622760
   0.29738443  0.21477348 -0.08836237
   0.04307913  0.13084653  0.90127638
   0.11623444  0.57536644  0.10330064
   0.36928275  0.67399336  0.27115448
   0.08061540  0.83171988  0.05167176
   0.36146696  0.92276407  0.34410159
   0.41347317  0.88825509  0.16973848
   0.16515857  0.83679225  0.22598767
   0.32407864  0.66766795  0.45105813
   0.07868653  0.59837343  0.40257203
   0.16103400  0.58153712  0.59185380
   0.30265358  0.69973097  0.77384766
   0.12418988  0.83744435  0.51166958
   0.36592970  1.00320768  0.80664409
   0.43189301  0.89308243  0.64244462
   0.16944868  0.91267883  0.69732510
   0.26001867  0.68366832 -0.03250765
  -0.00021621  0.62864392  0.93191182
   0.59808911  0.07538771  0.10758431
   0.83799251  0.20355936  0.25564925
   0.58553292  0.31140530  0.02716654
   0.87637239  0.44406845  0.34400417
   0.04946398  0.36546008  0.20921147
   0.78433129  0.43870995  0.15215752
   0.78380593  0.19674482  0.45304134
   0.52681574  0.11080673  0.41398693
   0.62807328  0.07313814  0.58907128
   0.82130747  0.19304353  0.79711715
   0.57050502  0.32460908  0.52007040
   0.84269713  0.45005279  0.83761985
   0.97255943  0.40651119  0.64971384
   0.73009525  0.38469793  0.66088837
   0.78586643  0.13777502  0.97765669
   0.54065720  0.09496066  0.91999936
   0.55737465  0.56492801  0.07066096
   0.87914469  0.70903980  0.29664464
   0.58860492  0.83953466  0.03742495
   0.85332814  0.97033756  0.33639801
   0.90556145  0.89355053  0.17088168
   0.65618835  0.85873013  0.23071442
   0.82121313  0.63830366  0.46287352
   0.57532032  0.56746180  0.38005533
   0.61913367  0.58251414  0.56204973
   0.86220200  0.70058155  0.77893422
   0.62997403  0.81125215  0.44073139
   0.89629974  0.95273180  0.83294783
   0.91308851  0.87159745  0.65185857
   0.67784358  0.91375896  0.73345462
   0.74731000  0.65263113  0.94804497
   0.49842915  0.68668314  0.89831486
   0.67517320  0.80129017  0.59318354
   0.58439174  0.84824699  0.38555980
   0.90372825  0.24477533  0.08639096
   0.82739910  0.40912828  0.39586264
   0.31903603  0.10401224  0.63896983
   0.20509504  0.72749350  0.75327505
   0.03058217  1.12858972  0.11499900
   0.22545609  1.05247409  0.02083687
   0.62416364  0.36738425  0.82069650
   0.88692370  0.42850379  0.62022979
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958140    0.277688   -0.158506
    -0.000000    9.748770    0.098401
    -0.000000    0.000000   13.838608
   Si   O    H 
    32    64    10
Direct configuration=   705
   0.17197563  0.17082131 -0.02947516
   0.37728563  0.08503644  0.36812579
   0.15155693  0.40993813  0.12018226
   0.38058572  0.35368441  0.24436882
   0.13261182  0.16530132  0.48547471
   0.41435948  0.14090779  0.84824473
   0.12161446  0.42161504  0.61450610
   0.35491525  0.39077548  0.74409614
   0.10183226  0.67832986  0.00711608
   0.41068805  0.58435833  0.36593881
   0.06938975  0.91334897  0.15129973
   0.32365996  0.82701882  0.25219235
   0.17259948  0.67901881  0.49179456
   0.34888136  0.63228696  0.87279350
   0.04935912  0.92190064  0.60933195
   0.31472931  0.98481444  0.69742465
   0.63057591  0.15668400  1.00766873
   0.87368620  0.13094826  0.36123756
   0.62178149  0.42220654  0.11503011
   0.89294392  0.32084001  0.17930281
   0.63172397  0.17760160  0.49327872
   0.88847221  0.10276736  0.88118152
   0.58714557  0.43738458  0.60870287
   0.75483245  0.34693797  0.77841010
   0.60029667  0.67595815 -0.01021316
   0.92179070  0.59424342  0.37642758
   0.56890445  0.91953596  0.13490759
   0.82320541  0.85317011  0.26531413
   0.65819029  0.64929798  0.46059087
   0.85965388  0.60897747  0.87844969
   0.59510747  0.91292816  0.62688905
   0.83036002  0.86320125  0.74948962
   0.09029429  0.08497404  0.15868627
   0.35727719  0.19455955  0.28026490
   0.13243408  0.31053648  0.02849086
   0.34089506  0.44138002  0.33929120
   0.53540140  0.37474669  0.21757429
   0.30545931  0.39794889  0.14526235
   0.27523469  0.09713560  0.45110654
   0.02808538  0.16766165  0.38894149
   0.05795889  0.07848788  0.56923022
   0.45103505  0.25005335  0.76274030
   0.14005611  0.33033335  0.50943351
   0.34441490  0.46518485  0.85033691
   0.45959342  0.46094399  0.67324694
   0.20670675  0.34989301  0.70619422
   0.29899208  0.21525872 -0.08895117
   0.04352276  0.13033724  0.90258333
   0.11655971  0.57669402  0.10377382
   0.36898363  0.67522543  0.27044846
   0.08056753  0.83172637  0.05227007
   0.36244163  0.92261867  0.34367875
   0.41243827  0.88893302  0.17060044
   0.16458405  0.83658849  0.22562864
   0.32403935  0.66810978  0.45099202
   0.07792527  0.59957039  0.40279812
   0.15977561  0.58061919  0.59177810
   0.30083389  0.69865649  0.77365094
   0.12386079  0.83679869  0.51317933
   0.36785797  1.00387083  0.80686739
   0.43183581  0.89458836  0.64181567
   0.17090521  0.91264663  0.69647436
   0.25808460  0.68249676 -0.03223013
  -0.00168690  0.62682450  0.93205268
   0.59842672  0.07578458  0.10807597
   0.83771690  0.20349547  0.25597792
   0.58431581  0.31206451  0.02724118
   0.87544234  0.44622248  0.34334646
   0.05071972  0.36741590  0.20793813
   0.78434365  0.43900664  0.15152134
   0.78561171  0.19703216  0.45283259
   0.52640231  0.11120869  0.41494675
   0.62857480  0.07280054  0.58859453
   0.82063137  0.19402281  0.79666391
   0.57210254  0.32681366  0.51875699
   0.84253317  0.45002120  0.83780266
   0.97398280  0.40745640  0.64976173
   0.72908270  0.38510893  0.66047366
   0.78545632  0.13779109  0.97644740
   0.54198491  0.09790463  0.92026190
   0.55753341  0.56436379  0.06939915
   0.87801276  0.71011479  0.29645806
   0.58848584  0.83930007  0.03822639
   0.85280942  0.96989449  0.33663613
   0.90595969  0.89379942  0.17085407
   0.65689868  0.85678382  0.23120786
   0.81911648  0.63938880  0.46120860
   0.57726827  0.56843508  0.37935817
   0.62037562  0.58344359  0.56167618
   0.86264796  0.70159017  0.77907167
   0.63071782  0.81148372  0.44071466
   0.89643564  0.95277660  0.83252836
   0.91278182  0.87146295  0.65283303
   0.67770587  0.91521323  0.73338227
   0.74717324  0.65200270  0.94819373
   0.50011366  0.68501898  0.89911229
   0.66662794  0.79606290  0.59146151
   0.57758077  0.84956314  0.38183891
   0.90526821  0.24204333  0.08560619
   0.83272853  0.39254648  0.39472083
   0.32197196  0.10677639  0.63946537
   0.21375917  0.72533843  0.75146458
   0.02898616  1.12786473  0.11068963
   0.23227400  1.05400474  0.01964979
   0.62447122  0.36739429  0.82347364
   0.88151536  0.42815242  0.62268382
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959077    0.277930   -0.157057
    -0.000000    9.750860    0.098458
    -0.000000    0.000000   13.838172
   Si   O    H 
    32    64    10
Direct configuration=   706
   0.17127523  0.17059096 -0.02866907
   0.37794480  0.08361541  0.36855575
   0.15158461  0.41070319  0.11988420
   0.37995253  0.35405679  0.24290988
   0.13188197  0.16422388  0.48574812
   0.41270153  0.14151392  0.84828233
   0.12119365  0.42061919  0.61568287
   0.35475667  0.39158165  0.74276511
   0.10163944  0.67769987  0.00851842
   0.41116899  0.58424250  0.36571579
   0.06883122  0.91335447  0.15169543
   0.32252959  0.82742703  0.25131154
   0.17241011  0.68017130  0.49191902
   0.34931821  0.63316073  0.87393506
   0.05049217  0.91968139  0.60910874
   0.31450450  0.98488278  0.69648635
   0.63092409  0.15621997  1.00835493
   0.87298144  0.13090238  0.36121760
   0.62157085  0.42171736  0.11534032
   0.89425930  0.32178214  0.17910581
   0.63140316  0.17731484  0.49291115
   0.88914146  0.10247075  0.88117354
   0.58619931  0.43713877  0.60808074
   0.75481074  0.34531308  0.77846565
   0.60032020  0.67574591 -0.00985309
   0.92121065  0.59621665  0.37674928
   0.56888548  0.91926703  0.13553510
   0.82341355  0.85235345  0.26513109
   0.65950702  0.64977371  0.46100547
   0.86084915  0.60737297  0.87792429
   0.59397663  0.91198543  0.62716663
   0.83184492  0.86270353  0.74898524
   0.08957887  0.08524778  0.15735850
   0.35634062  0.19531624  0.27982959
   0.13259358  0.31105860  0.02709881
   0.34158584  0.44114688  0.33917090
   0.53491413  0.37345669  0.21779997
   0.30421392  0.39813455  0.14606739
   0.27496718  0.09735436  0.45081843
   0.02740440  0.16676785  0.38865533
   0.05772700  0.07801133  0.56715239
   0.45030215  0.25101487  0.76256158
   0.14020988  0.32870482  0.51020172
   0.34396783  0.46682787  0.85084389
   0.46034826  0.46142414  0.67477649
   0.20744593  0.34871153  0.70633406
   0.30051396  0.21587689 -0.08955922
   0.04329786  0.13024493  0.90425118
   0.11785754  0.57766941  0.10414263
   0.36940470  0.67675340  0.26951058
   0.08019700  0.83154807  0.05260121
   0.36361724  0.92185171  0.34325451
   0.41136199  0.89048325  0.17127360
   0.16434970  0.83642861  0.22613698
   0.32381684  0.66902291  0.45089326
   0.07796793  0.60152118  0.40265154
   0.15867588  0.57995835  0.59207976
   0.29912819  0.69821050  0.77319755
   0.12293727  0.83645597  0.51467556
   0.36892380  1.00365536  0.80684331
   0.43257539  0.89490776  0.64107791
   0.17132421  0.91318898  0.69528032
   0.25621902  0.68080321 -0.03200207
  -0.00352527  0.62509908  0.93213233
   0.59921403  0.07696048  0.10815043
   0.83763999  0.20383194  0.25646804
   0.58303179  0.31308227  0.02701702
   0.87424851  0.44719389  0.34227423
   0.05178547  0.36906280  0.20627273
   0.78363821  0.43994641  0.15038964
   0.78746974  0.19702737  0.45242083
   0.52565798  0.11201659  0.41578292
   0.62888119  0.07227993  0.58792771
   0.81995934  0.19485814  0.79611370
   0.57316126  0.32943106  0.51766854
   0.84382204  0.45031816  0.83881466
   0.97516336  0.40955916  0.65025668
   0.72772020  0.38541503  0.66048629
   0.78544905  0.13779807  0.97502475
   0.54263971  0.10060003  0.92093358
   0.55739479  0.56394306  0.06801136
   0.87735388  0.71021245  0.29625664
   0.58794915  0.83776276  0.03834261
   0.85191530  0.97005823  0.33756024
   0.90671197  0.89453803  0.17052782
   0.65710199  0.85520860  0.23231549
   0.81709160  0.63986956  0.45994432
   0.57847562  0.56869631  0.37895334
   0.62140362  0.58398162  0.56131145
   0.86276828  0.70243725  0.77902901
   0.63178418  0.81193700  0.44040304
   0.89656540  0.95147248  0.83208728
   0.91283513  0.87146905  0.65340987
   0.67808296  0.91584480  0.73268106
   0.74647261  0.65117435  0.94892726
   0.50162780  0.68400236  0.89997862
   0.66010610  0.78977853  0.59076068
   0.57098361  0.84793007  0.38267815
   0.90874060  0.24026338  0.08590318
   0.83956015  0.37456881  0.39240955
   0.32301574  0.11469547  0.63851853
   0.21554495  0.72253458  0.74786397
   0.02593588  1.12882277  0.10845538
   0.23920240  1.05125332  0.02158896
   0.62248588  0.36660558  0.82612677
   0.88100105  0.42381550  0.62440946
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959871    0.278503   -0.155063
    -0.000000    9.752585    0.098901
    -0.000000    0.000000   13.837585
   Si   O    H 
    32    64    10
Direct configuration=   707
   0.17012787  0.17050154 -0.02791911
   0.37875862  0.08232032  0.36914444
   0.15132233  0.41106848  0.11932485
   0.37928700  0.35397495  0.24201216
   0.13156208  0.16334923  0.48529906
   0.41167828  0.14160905  0.84877137
   0.12101620  0.41984373  0.61628641
   0.35465466  0.39219719  0.74145895
   0.10181758  0.67737573  0.00954154
   0.41153604  0.58394781  0.36588491
   0.06749332  0.91300467  0.15159315
   0.32097598  0.82790793  0.25051269
   0.17178277  0.68103458  0.49216106
   0.34965170  0.63403984  0.87516518
   0.05291864  0.91756890  0.60854730
   0.31463805  0.98499468  0.69521510
   0.63209933  0.15535635  1.00871051
   0.87203918  0.13082047  0.36136852
   0.62089305  0.42089790  0.11620977
   0.89579853  0.32258064  0.17873839
   0.63100253  0.17695884  0.49288422
   0.88925269  0.10244170  0.88122488
   0.58536533  0.43632919  0.60771276
   0.75458897  0.34396001  0.77860630
   0.60047272  0.67603340 -0.00959883
   0.92026362  0.59808902  0.37721017
   0.56870414  0.91900229  0.13608751
   0.82353371  0.85177830  0.26482461
   0.66110891  0.65019456  0.46148292
   0.86177660  0.60621310  0.87691994
   0.59313434  0.91081525  0.62755594
   0.83300631  0.86291315  0.74847541
   0.08862565  0.08477671  0.15633958
   0.35557859  0.19559218  0.27907094
   0.13295717  0.31159592  0.02558649
   0.34203980  0.44202083  0.33913744
   0.53495544  0.37286243  0.21788455
   0.30299533  0.39845094  0.14656775
   0.27384852  0.09740032  0.45130264
   0.02713400  0.16590328  0.38815646
   0.05758543  0.07683023  0.56539965
   0.44939203  0.25158351  0.76291794
   0.14082970  0.32789673  0.51181522
   0.34340215  0.46938935  0.85129272
   0.46076237  0.46267259  0.67589443
   0.20782576  0.34759687  0.70605571
   0.30185049  0.21627046 -0.08991446
   0.04323741  0.13058216  0.90595881
   0.11887270  0.57746807  0.10426839
   0.36964113  0.67728055  0.26879312
   0.08023153  0.83118315  0.05263737
   0.36529311  0.92122706  0.34232850
   0.41105997  0.89281564  0.17172913
   0.16400677  0.83507827  0.22634967
   0.32375972  0.66963493  0.45090228
   0.07748715  0.60366828  0.40259543
   0.15785293  0.57940465  0.59230623
   0.29873622  0.69751695  0.77284686
   0.12174826  0.83659030  0.51653426
   0.36926356  1.00286685  0.80661380
   0.43314229  0.89527696  0.64064082
   0.17089011  0.91344924  0.69428981
   0.25474519  0.67893592 -0.03253063
  -0.00472875  0.62383785  0.93212887
   0.59975142  0.07729035  0.10833599
   0.83684818  0.20515463  0.25712830
   0.58208535  0.31447264  0.02710967
   0.87256295  0.44698493  0.34182145
   0.05201522  0.37075617  0.20425733
   0.78167705  0.44065122  0.14959208
   0.78920878  0.19775933  0.45222020
   0.52449113  0.11161169  0.41639844
   0.62929740  0.07149578  0.58734564
   0.81931479  0.19578122  0.79511600
   0.57467341  0.33203753  0.51615167
   0.84527291  0.45023247  0.83963807
   0.97597694  0.41153866  0.65110777
   0.72618769  0.38584584  0.66106633
   0.78476642  0.13747318  0.97435615
   0.54197770  0.10357868  0.92113696
   0.55763329  0.56337761  0.06682093
   0.87675121  0.70967885  0.29640329
   0.58820018  0.83557378  0.03855401
   0.85193263  0.97046592  0.33922573
   0.90752708  0.89506355  0.16997732
   0.65740498  0.85379530  0.23305510
   0.81493945  0.63959172  0.45889157
   0.57893183  0.56853221  0.37825685
   0.62300293  0.58393087  0.56154726
   0.86204089  0.70264649  0.77827069
   0.63260238  0.81304645  0.43918867
   0.89685637  0.95048162  0.83173494
   0.91359357  0.87131535  0.65321296
   0.67849287  0.91619241  0.73206804
   0.74594986  0.65020233  0.94953565
   0.50289141  0.68349980  0.90053164
   0.65368607  0.78472434  0.59174032
   0.57077885  0.84381124  0.38498488
   0.91350053  0.24499011  0.08894804
   0.85069649  0.36880550  0.38721630
   0.31957676  0.11909723  0.63738808
   0.20583461  0.72341526  0.74123572
   0.02758315  1.12953273  0.10845124
   0.24173976  1.04645892  0.02565953
   0.62094353  0.36612900  0.82733527
   0.88754311  0.41857730  0.62675182
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960295    0.278656   -0.152943
    -0.000000    9.754198    0.098956
    -0.000000    0.000000   13.836834
   Si   O    H 
    32    64    10
Direct configuration=   708
   0.16976301  0.17037593 -0.02710405
   0.37955883  0.08132164  0.36938909
   0.15009752  0.41128559  0.11833731
   0.37861552  0.35334986  0.24111119
   0.13150957  0.16228878  0.48493317
   0.41130593  0.14146211  0.84957992
   0.12056244  0.41947091  0.61634778
   0.35483644  0.39269731  0.74053955
   0.10180474  0.67737273  0.01031325
   0.41179081  0.58415892  0.36596435
   0.06651374  0.91295765  0.15110193
   0.31987760  0.82790460  0.25038005
   0.17114272  0.68063608  0.49268431
   0.34954155  0.63493918  0.87645292
   0.05543114  0.91516578  0.60777716
   0.31536035  0.98532836  0.69405441
   0.63275708  0.15447242  1.00866929
   0.87129162  0.13117766  0.36132332
   0.62023929  0.42039033  0.11731364
   0.89689733  0.32325998  0.17815928
   0.63066451  0.17653822  0.49257736
   0.88880210  0.10236259  0.88107985
   0.58459221  0.43562168  0.60695319
   0.75428088  0.34375040  0.77877455
   0.60080566  0.67689641 -0.00948233
   0.91917724  0.60040486  0.37784868
   0.56825389  0.91868466  0.13688820
   0.82308930  0.85129238  0.26436548
   0.66202572  0.65037195  0.46132076
   0.86254176  0.60526587  0.87566473
   0.59265912  0.90991646  0.62791199
   0.83346546  0.86315812  0.74787461
   0.08877904  0.08476918  0.15482511
   0.35431917  0.19532708  0.27844616
   0.13273446  0.31224127  0.02442560
   0.34191073  0.44208250  0.33911027
   0.53536998  0.37203483  0.21745887
   0.30213324  0.39784772  0.14722875
   0.27212867  0.09751633  0.45174861
   0.02677917  0.16456707  0.38773708
   0.05614414  0.07535032  0.56466417
   0.44812798  0.25194318  0.76350316
   0.14102796  0.32771380  0.51354318
   0.34252504  0.47238100  0.85168021
   0.46154014  0.46413268  0.67647494
   0.20843631  0.34676698  0.70595700
   0.30240917  0.21774744 -0.09075531
   0.04306141  0.13113787  0.90724418
   0.12015939  0.57707411  0.10473200
   0.36962849  0.67707035  0.26770860
   0.08076620  0.83003770  0.05215656
   0.36717068  0.92000997  0.34195125
   0.41159009  0.89589099  0.17108075
   0.16362023  0.83371749  0.22683775
   0.32470844  0.67024530  0.45172913
   0.07666166  0.60645390  0.40269639
   0.15719272  0.57878156  0.59272453
   0.29851542  0.69735823  0.77259136
   0.12055900  0.83651395  0.51870384
   0.36894326  1.00157279  0.80594534
   0.43361972  0.89476644  0.64031059
   0.16985486  0.91213896  0.69312377
   0.25396936  0.67616431 -0.03327307
  -0.00537322  0.62272408  0.93200333
   0.60118489  0.07730968  0.10912990
   0.83628354  0.20624430  0.25771203
   0.58182028  0.31649902  0.02799161
   0.87062643  0.44591573  0.34178911
   0.05117733  0.37294756  0.20271298
   0.78037995  0.44200947  0.14890108
   0.79055412  0.19736070  0.45213698
   0.52386343  0.11219173  0.41658783
   0.62968097  0.07085309  0.58696849
   0.81891121  0.19654012  0.79460448
   0.57597860  0.33433974  0.51414979
   0.84642745  0.44999596  0.84047478
   0.97724442  0.41241407  0.65167014
   0.72489140  0.38633026  0.66197348
   0.78451477  0.13718887  0.97360686
   0.54163980  0.10557615  0.92091622
   0.55851218  0.56329685  0.06598108
   0.87707328  0.70864833  0.29657769
   0.58914696  0.83332853  0.03852561
   0.85137780  0.97138076  0.34108812
   0.90818558  0.89512638  0.16961567
   0.65738491  0.85343919  0.23358458
   0.81396966  0.63921142  0.45827531
   0.57950960  0.56807735  0.37809853
   0.62332201  0.58386237  0.56172546
   0.86055587  0.70272406  0.77765598
   0.63334063  0.81414459  0.43799499
   0.89711542  0.95025274  0.83200375
   0.91550288  0.87121330  0.65222027
   0.67877186  0.91666759  0.73146798
   0.74480411  0.64943099  0.95034836
   0.50304658  0.68222225  0.90037600
   0.64444474  0.77872015  0.59197447
   0.57623332  0.84001343  0.38870241
   0.91858423  0.25071337  0.09172006
   0.86164161  0.37241222  0.37940677
   0.31119286  0.12406493  0.63860816
   0.20435493  0.71989583  0.74132947
   0.02968280  1.13051682  0.10823984
   0.24222988  1.04348277  0.02783440
   0.61994087  0.36786773  0.82723422
   0.88668554  0.41326789  0.62369294
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960804    0.279133   -0.150803
    -0.000000    9.755364    0.099311
    -0.000000    0.000000   13.836190
   Si   O    H 
    32    64    10
Direct configuration=   709
   0.16994853  0.17041022 -0.02654867
   0.38045932  0.08008255  0.36897186
   0.14916290  0.41222557  0.11737467
   0.37821215  0.35257012  0.24110200
   0.13125875  0.16201493  0.48434167
   0.41136766  0.14125062  0.84998335
   0.12027001  0.41847370  0.61659515
   0.35557203  0.39254859  0.74055364
   0.10282453  0.67733166  0.01140422
   0.41166127  0.58387546  0.36602195
   0.06577542  0.91301566  0.15082719
   0.31908146  0.82843665  0.25006563
   0.17159373  0.68037426  0.49331876
   0.34935490  0.63571216  0.87785050
   0.05818030  0.91305383  0.60711333
   0.31620827  0.98563377  0.69286933
   0.63301161  0.15421763  1.00876517
   0.87087263  0.13134875  0.36123215
   0.61957794  0.42001770  0.11820417
   0.89723492  0.32404271  0.17772721
   0.63040094  0.17624222  0.49244419
   0.88858755  0.10182161  0.88083959
   0.58394915  0.43473616  0.60628542
   0.75355654  0.34397941  0.77948326
   0.60030574  0.67793608 -0.00901397
   0.91775051  0.60253715  0.37832534
   0.56801870  0.91812978  0.13791895
   0.82241111  0.85081102  0.26373642
   0.66250320  0.65012190  0.46090976
   0.86285588  0.60480037  0.87403577
   0.59234519  0.90920593  0.62806272
   0.83326650  0.86412715  0.74797360
   0.08896953  0.08400241  0.15380242
   0.35322295  0.19544708  0.27874928
   0.13175982  0.31225943  0.02352575
   0.34174524  0.44260140  0.33902595
   0.53639025  0.37208776  0.21711987
   0.30100193  0.39732245  0.14792443
   0.27096326  0.09735990  0.45258999
   0.02666609  0.16368172  0.38715130
   0.05525981  0.07341006  0.56477833
   0.44698009  0.25192533  0.76411421
   0.14066780  0.32772438  0.51503864
   0.34190554  0.47541678  0.85196324
   0.46255150  0.46746744  0.67600932
   0.20909541  0.34628412  0.70650135
   0.30239818  0.21870915 -0.09132864
   0.04324607  0.13229102  0.90877293
   0.12121435  0.57679811  0.10475720
   0.36963147  0.67556492  0.26696899
   0.08094448  0.82899153  0.05199781
   0.36886062  0.91954586  0.34189465
   0.41235910  0.89831551  0.16996402
   0.16374558  0.83156264  0.22751438
   0.32612749  0.67023084  0.45275123
   0.07560365  0.60899140  0.40309394
   0.15731530  0.57836305  0.59234091
   0.29769285  0.69698351  0.77271175
   0.11926817  0.83631804  0.52014268
   0.36824650  1.00027956  0.80444933
   0.43292749  0.89393023  0.63941656
   0.16892053  0.91161927  0.69273030
   0.25265595  0.67355279 -0.03461587
  -0.00504796  0.62170074  0.93229518
   0.60239655  0.07670032  0.11035687
   0.83720947  0.20763983  0.25777731
   0.58173553  0.31870980  0.02935903
   0.86937299  0.44603668  0.34149251
   0.05021286  0.37456911  0.20145566
   0.77944402  0.44277423  0.14792558
   0.79081291  0.19689541  0.45217428
   0.52356050  0.11197832  0.41681720
   0.63095335  0.06968636  0.58675405
   0.81908500  0.19693182  0.79361850
   0.57671913  0.33673098  0.51293832
   0.84773051  0.45028894  0.84089121
   0.97746561  0.41400405  0.65218694
   0.72369265  0.38655511  0.66310486
   0.78473454  0.13657662  0.97299056
   0.54091869  0.10842306  0.92017764
   0.55916882  0.56320660  0.06559909
   0.87704634  0.70808652  0.29662328
   0.58984504  0.83113568  0.03844757
   0.85062037  0.97300344  0.34237451
   0.90831006  0.89496822  0.16871522
   0.65794938  0.85310860  0.23373822
   0.81377925  0.63785287  0.45752266
   0.58039839  0.56699489  0.37818099
   0.62375474  0.58411739  0.56192423
   0.85915414  0.70227013  0.77771988
   0.63457309  0.81371579  0.43759091
   0.89789945  0.94995042  0.83327369
   0.91725704  0.87146260  0.65107556
   0.67883179  0.91745768  0.73110124
   0.74409876  0.64904263  0.95093782
   0.50292656  0.68126221  0.90095189
   0.63532888  0.77663669  0.59227891
   0.57111960  0.84252253  0.38314942
   0.92180898  0.25477459  0.09082995
   0.87318712  0.36544186  0.38313160
   0.30137966  0.12960712  0.63912713
   0.21294672  0.71800554  0.74676481
   0.02704944  1.13287174  0.10827842
   0.23918885  1.04668523  0.02874852
   0.62207889  0.36627996  0.82702905
   0.88356952  0.40632402  0.62035026
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961524    0.280468   -0.147819
    -0.000000    9.756525    0.099319
    -0.000000    0.000000   13.835710
   Si   O    H 
    32    64    10
Direct configuration=   710
   0.17082347  0.17084422 -0.02595977
   0.38146806  0.07872802  0.36873470
   0.14830300  0.41279963  0.11633266
   0.37831266  0.35210753  0.24139744
   0.13037341  0.16238846  0.48308588
   0.41145382  0.14093789  0.85023721
   0.11976655  0.41741350  0.61624705
   0.35619124  0.39179066  0.74125773
   0.10356997  0.67724638  0.01161396
   0.41159441  0.58373494  0.36584121
   0.06417024  0.91388313  0.15098364
   0.31901590  0.82881964  0.24989195
   0.17184464  0.68056448  0.49393808
   0.34907639  0.63647494  0.87889073
   0.06101527  0.91159603  0.60681304
   0.31608546  0.98576322  0.69146271
   0.63293953  0.15420314  1.00862356
   0.87042793  0.13117724  0.36107193
   0.61873990  0.42021450  0.11902014
   0.89750674  0.32458218  0.17771862
   0.63036338  0.17624912  0.49249358
   0.88824558  0.10132949  0.88062728
   0.58390621  0.43388700  0.60575524
   0.75241375  0.34444535  0.78060785
   0.59975800  0.67933798 -0.00798112
   0.91678879  0.60383422  0.37820197
   0.56805597  0.91811527  0.13894355
   0.82188336  0.85062247  0.26306904
   0.66222433  0.65037933  0.46094501
   0.86313742  0.60471490  0.87303844
   0.59191843  0.90895467  0.62841033
   0.83263993  0.86476752  0.74790507
   0.09013374  0.08332958  0.15280278
   0.35273953  0.19524896  0.27941053
   0.13060888  0.31299514  0.02351795
   0.34228635  0.44176825  0.33866764
   0.53671623  0.37267784  0.21669533
   0.30059170  0.39644274  0.14876559
   0.26966994  0.09717794  0.45400847
   0.02698047  0.16168833  0.38679968
   0.05470058  0.07186255  0.56453938
   0.44606002  0.25176734  0.76465858
   0.14028579  0.32707102  0.51612402
   0.34077649  0.47771487  0.85107742
   0.46369160  0.47074882  0.67533349
   0.20997745  0.34580570  0.70734279
   0.30193765  0.22013141 -0.09154049
   0.04309189  0.13329095  0.91089589
   0.12239635  0.57609278  0.10504077
   0.37001129  0.67333026  0.26661170
   0.08067204  0.82823132  0.05134255
   0.37033672  0.91836730  0.34176902
   0.41342783  0.89927846  0.16847123
   0.16402712  0.82950663  0.22808585
   0.32755381  0.67000014  0.45331273
   0.07498517  0.61048858  0.40392740
   0.15685416  0.57839349  0.59208587
   0.29800860  0.69632386  0.77293997
   0.11791813  0.83523618  0.52092904
   0.36705677  0.99870895  0.80315714
   0.43127137  0.89363454  0.63871390
   0.16885095  0.91118686  0.69285441
   0.25085045  0.67150362 -0.03599642
  -0.00472679  0.62100236  0.93257815
   0.60285904  0.07528439  0.11178620
   0.83889313  0.20951629  0.25779554
   0.58282112  0.32039543  0.03093433
   0.86886638  0.44662044  0.34135760
   0.04998471  0.37528651  0.20047387
   0.77796029  0.44332185  0.14698191
   0.78984987  0.19615549  0.45266050
   0.52317014  0.11141422  0.41731889
   0.63210526  0.06829285  0.58652588
   0.81922129  0.19687230  0.79254783
   0.57621441  0.33962211  0.51180544
   0.84932269  0.45017807  0.84171434
   0.97751438  0.41541935  0.65238159
   0.72339480  0.38630308  0.66414049
   0.78521409  0.13615639  0.97213203
   0.54051598  0.11066295  0.91991372
   0.56018340  0.56321598  0.06571064
   0.87602245  0.70752696  0.29624650
   0.59057233  0.82889303  0.03892246
   0.85017497  0.97403791  0.34378652
   0.90790358  0.89509207  0.16726222
   0.65874039  0.85319274  0.23406473
   0.81378462  0.63655232  0.45732372
   0.58126089  0.56553411  0.37812719
   0.62333371  0.58398761  0.56186922
   0.85727654  0.70164243  0.77741859
   0.63532198  0.81355364  0.43648840
   0.89880265  0.95024637  0.83437556
   0.91934649  0.87196448  0.64978290
   0.67943489  0.91804756  0.73075092
   0.74372724  0.64846400  0.95156223
   0.50261410  0.68013467  0.90111309
   0.62958251  0.77906134  0.59320871
   0.57057868  0.84417980  0.38063850
   0.92052832  0.25583081  0.08585909
   0.88422554  0.36209893  0.38955429
   0.29308503  0.12451400  0.64165000
   0.21315957  0.72084329  0.75117587
   0.02628096  1.13347259  0.11076171
   0.23638035  1.05173864  0.02570740
   0.62163355  0.36160452  0.82625016
   0.88459775  0.40060538  0.61794526
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962105    0.281382   -0.144937
    -0.000000    9.757752    0.098541
    -0.000000    0.000000   13.835588
   Si   O    H 
    32    64    10
Direct configuration=   711
   0.17254978  0.17107612 -0.02541064
   0.38196328  0.07785635  0.36814449
   0.14726502  0.41368110  0.11541845
   0.37808695  0.35177449  0.24184424
   0.12907773  0.16319964  0.48228696
   0.41160329  0.14067867  0.85008050
   0.11945448  0.41569643  0.61616333
   0.35684335  0.39131240  0.74204965
   0.10478324  0.67671859  0.01154426
   0.41180989  0.58367094  0.36608621
   0.06211978  0.91433542  0.15116454
   0.31914532  0.82929705  0.24987044
   0.17266062  0.68040755  0.49483442
   0.34816445  0.63691964  0.87957672
   0.06285980  0.91083548  0.60672025
   0.31615267  0.98617084  0.69017713
   0.63287859  0.15495076  1.00908223
   0.87025807  0.13059016  0.36125345
   0.61831757  0.42106461  0.11930294
   0.89825185  0.32513547  0.17804084
   0.63006149  0.17631299  0.49275264
   0.88754599  0.10093891  0.88040679
   0.58361958  0.43374427  0.60489901
   0.75086188  0.34509793  0.78140616
   0.59930773  0.68075590 -0.00693833
   0.91553717  0.60446475  0.37784995
   0.56873424  0.91798484  0.13970932
   0.82157017  0.85050069  0.26219513
   0.66147742  0.65032690  0.46094906
   0.86224265  0.60461978  0.87226510
   0.59136960  0.90964660  0.62911582
   0.83215738  0.86508660  0.74769841
   0.09079205  0.08142267  0.15182079
   0.35163825  0.19564367  0.27984822
   0.12912224  0.31454080  0.02333537
   0.34292875  0.44099853  0.33860655
   0.53749420  0.37400342  0.21595896
   0.29992426  0.39570944  0.14908165
   0.26873782  0.09652099  0.45459229
   0.02705820  0.16025591  0.38661006
   0.05342477  0.07061913  0.56431529
   0.44480271  0.25198065  0.76463088
   0.14033636  0.32630019  0.51723474
   0.33979435  0.47904439  0.84958278
   0.46540712  0.47319531  0.67441330
   0.21030485  0.34477758  0.70784009
   0.30063308  0.22133485 -0.09190885
   0.04239789  0.13325577  0.91281601
   0.12305014  0.57628284  0.10544508
   0.37055765  0.67102056  0.26634792
   0.08054376  0.82677913  0.05106578
   0.37160942  0.91756420  0.34143184
   0.41394333  0.90075749  0.16688421
   0.16399989  0.82830718  0.22884291
   0.32898965  0.66940232  0.45380688
   0.07523569  0.61253930  0.40498086
   0.15603297  0.57863394  0.59132743
   0.29882277  0.69501160  0.77379359
   0.11741826  0.83295591  0.52082552
   0.36595734  0.99667636  0.80200726
   0.43006804  0.89389429  0.63705149
   0.16996117  0.91047214  0.69326658
   0.24866346  0.67025153 -0.03668699
  -0.00360048  0.62004633  0.93361466
   0.60342088  0.07452361  0.11271631
   0.84045129  0.21169829  0.25766012
   0.58412374  0.32139043  0.03225297
   0.86831998  0.44705699  0.34123502
   0.04936049  0.37550201  0.19986340
   0.77611264  0.44294055  0.14631350
   0.78854347  0.19586288  0.45367289
   0.52322816  0.11108764  0.41807442
   0.63352847  0.06752365  0.58573456
   0.81946320  0.19600578  0.79173637
   0.57534300  0.34106054  0.51078398
   0.85127126  0.44996491  0.84240343
   0.97615839  0.41662877  0.65246002
   0.72285109  0.38602784  0.66585606
   0.78519229  0.13619901  0.97118607
   0.54011561  0.11090734  0.91942787
   0.56181765  0.56295651  0.06611117
   0.87520665  0.70676247  0.29565376
   0.59109620  0.82723649  0.03921198
   0.84907981  0.97492167  0.34539276
   0.90716436  0.89523677  0.16625448
   0.66003335  0.85360091  0.23438461
   0.81466944  0.63445376  0.45783478
   0.58163204  0.56363023  0.37784543
   0.62283891  0.58355197  0.56283358
   0.85606985  0.70168951  0.77735631
   0.63537268  0.81330979  0.43508626
   0.89923010  0.94955845  0.83548395
   0.92195748  0.87221252  0.64892447
   0.67931579  0.91843095  0.73014449
   0.74367619  0.64791700  0.95188530
   0.50173447  0.67959313  0.90060742
   0.62769975  0.77705592  0.59525106
   0.57711407  0.84383147  0.37961879
   0.91785625  0.25289727  0.08128825
   0.89138627  0.36977100  0.39214677
   0.28643771  0.11575835  0.64662707
   0.20455447  0.72691608  0.75313149
   0.02499852  1.13626184  0.11469222
   0.23558825  1.05816980  0.02308507
   0.61892694  0.35906460  0.82594884
   0.89393107  0.39708582  0.61930728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962980    0.282499   -0.142328
    -0.000000    9.759300    0.097980
    -0.000000    0.000000   13.835832
   Si   O    H 
    32    64    10
Direct configuration=   712
   0.17445210  0.17077731 -0.02507043
   0.38251114  0.07753137  0.36737534
   0.14654940  0.41403363  0.11476882
   0.37818872  0.35114205  0.24292453
   0.12740783  0.16439078  0.48155450
   0.41206434  0.13990512  0.84970515
   0.11962706  0.41443274  0.61593139
   0.35796050  0.39111428  0.74305031
   0.10534074  0.67646314  0.01146976
   0.41204339  0.58380211  0.36643695
   0.06049736  0.91445681  0.15099505
   0.32004187  0.82955550  0.24944935
   0.17404234  0.68055037  0.49577321
   0.34784699  0.63666661  0.88014376
   0.06468215  0.91064734  0.60692546
   0.31570490  0.98578075  0.68921095
   0.63216540  0.15591086  1.00964765
   0.86993029  0.13069605  0.36137291
   0.61773444  0.42283431  0.11961288
   0.89877600  0.32563102  0.17836439
   0.62975472  0.17680905  0.49300002
   0.88650006  0.10062997  0.88056014
   0.58309530  0.43418645  0.60425772
   0.74905681  0.34624611  0.78229619
   0.59966235  0.68251455 -0.00611940
   0.91480133  0.60456123  0.37738504
   0.56965030  0.91747774  0.14037660
   0.82062062  0.85079685  0.26151973
   0.66007270  0.64934354  0.46103008
   0.86060103  0.60452443  0.87188336
   0.59084699  0.91034177  0.63032251
   0.83157406  0.86494775  0.74779771
   0.09145112  0.07917309  0.15163993
   0.35070857  0.19542777  0.28049548
   0.12754007  0.31645275  0.02309702
   0.34342127  0.43970397  0.33872325
   0.53814960  0.37453715  0.21550120
   0.29909459  0.39567372  0.14931119
   0.26882245  0.09462085  0.45468877
   0.02698732  0.15918922  0.38675142
   0.05321341  0.06876563  0.56432546
   0.44331850  0.25212545  0.76456273
   0.14118063  0.32547733  0.51847795
   0.33895471  0.47922519  0.84752665
   0.46632016  0.47563849  0.67362949
   0.21053376  0.34428886  0.70772271
   0.29963296  0.22295091 -0.09206868
   0.04081221  0.13260470  0.91419581
   0.12363874  0.57637074  0.10541992
   0.37100525  0.66857177  0.26638425
   0.07998008  0.82554852  0.05146691
   0.37231849  0.91555506  0.34153072
   0.41373470  0.90263286  0.16502606
   0.16379116  0.82770766  0.22967730
   0.33067948  0.66892517  0.45447299
   0.07518338  0.61479616  0.40548782
   0.15483965  0.57955927  0.59061375
   0.29953026  0.69424572  0.77435636
   0.11712645  0.83067588  0.52015446
   0.36528217  0.99542941  0.80109464
   0.42869141  0.89406491  0.63551453
   0.17100624  0.90951504  0.69380095
   0.24673510  0.66918002 -0.03665240
  -0.00211819  0.61935851  0.93465150
   0.60425014  0.07395036  0.11311295
   0.84312809  0.21434875  0.25737052
   0.58492664  0.32132684  0.03359129
   0.86772210  0.44716704  0.34141650
   0.04843745  0.37515036  0.19954985
   0.77491319  0.44272215  0.14639176
   0.78697343  0.19540439  0.45465779
   0.52334669  0.11157429  0.41841111
   0.63506336  0.06688525  0.58455319
   0.81987823  0.19480365  0.79090886
   0.57449243  0.34130278  0.51010927
   0.85295735  0.44895178  0.84299785
   0.97484026  0.41719605  0.65245990
   0.72247951  0.38598253  0.66719555
   0.78560361  0.13622087  0.97093390
   0.53977268  0.11084688  0.91944317
   0.56377114  0.56269177  0.06693444
   0.87495618  0.70589233  0.29506128
   0.59205052  0.82742437  0.04004413
   0.84875537  0.97451995  0.34678136
   0.90584628  0.89525678  0.16555375
   0.66199626  0.85387013  0.23405598
   0.81596760  0.63215262  0.45855810
   0.58112669  0.56265870  0.37772159
   0.62327324  0.58297646  0.56437978
   0.85480505  0.70161475  0.77786776
   0.63519016  0.81327393  0.43376801
   0.89945664  0.94890300  0.83684874
   0.92375872  0.87216742  0.64890842
   0.67857906  0.91906588  0.72972720
   0.74487574  0.64674286  0.95211447
   0.50037231  0.67937957  0.90060280
   0.62636710  0.77526059  0.59751387
   0.58431645  0.84192948  0.37877133
   0.91115213  0.24991678  0.07984592
   0.89572473  0.38659327  0.39065947
   0.28029799  0.11142368  0.65018599
   0.20435313  0.73320828  0.75618592
   0.02463159  1.13970677  0.11524139
   0.23587180  1.05655155  0.02413640
   0.61512444  0.35993705  0.82826954
   0.89949135  0.39316792  0.61631612
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964058    0.284024   -0.140426
    -0.000000    9.760768    0.097378
    -0.000000    0.000000   13.836186
   Si   O    H 
    32    64    10
Direct configuration=   713
   0.17612892  0.17077705 -0.02470827
   0.38301256  0.07737279  0.36662837
   0.14599754  0.41311864  0.11405622
   0.37876734  0.35021997  0.24422105
   0.12590146  0.16503429  0.48096135
   0.41264172  0.13923949  0.84916391
   0.12066196  0.41339890  0.61560582
   0.35921102  0.39090051  0.74473043
   0.10591764  0.67571231  0.01173126
   0.41203643  0.58362133  0.36676953
   0.05978233  0.91497549  0.15096833
   0.32131865  0.83004101  0.24903655
   0.17522917  0.67990708  0.49666354
   0.34801989  0.63623128  0.88045837
   0.06605906  0.91070529  0.60759128
   0.31528860  0.98518858  0.68874924
   0.63051434  0.15761472  1.01054381
   0.87017612  0.13146988  0.36119780
   0.61723538  0.42515583  0.12013196
   0.89913344  0.32571412  0.17818920
   0.62900156  0.17705551  0.49344945
   0.88572945  0.10088900  0.88054565
   0.58295440  0.43418573  0.60365125
   0.74703439  0.34674194  0.78274968
   0.60029256  0.68375645 -0.00564584
   0.91443076  0.60473588  0.37665774
   0.57040094  0.91648840  0.14061943
   0.81989447  0.85137583  0.26102292
   0.65871990  0.64847908  0.46087634
   0.85879955  0.60407657  0.87155408
   0.59091076  0.91141358  0.63102174
   0.83189345  0.86475360  0.74796259
   0.09112565  0.07716646  0.15148420
   0.34954601  0.19491340  0.28117606
   0.12576144  0.31825318  0.02285228
   0.34385397  0.43891702  0.33926884
   0.53969820  0.37470936  0.21514613
   0.29814142  0.39520459  0.14923303
   0.26861950  0.09225884  0.45450985
   0.02776686  0.15799849  0.38735923
   0.05241945  0.06727135  0.56400788
   0.44143434  0.25225103  0.76455502
   0.14180682  0.32385976  0.51954981
   0.33876811  0.47934861  0.84575596
   0.46647356  0.47725714  0.67335862
   0.20976482  0.34438884  0.70772695
   0.29869725  0.22439402 -0.09220246
   0.03897883  0.13299591  0.91567968
   0.12419813  0.57677853  0.10497705
   0.37072658  0.66804139  0.26622300
   0.07926295  0.82514509  0.05216974
   0.37364416  0.91402339  0.34176323
   0.41361914  0.90374820  0.16311547
   0.16381125  0.82743133  0.23029447
   0.33238006  0.66766100  0.45517197
   0.07471007  0.61776960  0.40731286
   0.15439382  0.58083937  0.59018697
   0.29880356  0.69411242  0.77537258
   0.11732690  0.82830452  0.51872715
   0.36439083  0.99459164  0.80033468
   0.42736401  0.89461496  0.63406082
   0.17211070  0.90889935  0.69439391
   0.24530238  0.66880268 -0.03656976
  -0.00020928  0.61850617  0.93537161
   0.60563206  0.07374912  0.11318325
   0.84530916  0.21677761  0.25733048
   0.58613647  0.31969237  0.03392474
   0.86712369  0.44837927  0.34125667
   0.04693439  0.37408141  0.19965562
   0.77426730  0.44188104  0.14697378
   0.78486702  0.19505423  0.45544171
   0.52280714  0.11222347  0.41817935
   0.63709154  0.06621298  0.58298242
   0.81963529  0.19341534  0.79030047
   0.57355387  0.34050878  0.50942604
   0.85404427  0.44755870  0.84329643
   0.97233561  0.41796987  0.65242967
   0.72239597  0.38576995  0.66803017
   0.78678872  0.13637401  0.97099379
   0.53938243  0.11077854  0.91935273
   0.56533803  0.56184496  0.06832587
   0.87533630  0.70477225  0.29390734
   0.59245731  0.82783412  0.04118322
   0.84865681  0.97323245  0.34801261
   0.90478897  0.89503612  0.16576064
   0.66363389  0.85455869  0.23368210
   0.81722791  0.62976805  0.46010441
   0.58009891  0.56261057  0.37724273
   0.62254343  0.58218653  0.56594609
   0.85406454  0.70157157  0.77858610
   0.63474110  0.81384821  0.43297929
   0.89972147  0.94817104  0.83803441
   0.92515240  0.87193276  0.64921596
   0.67808059  0.91877507  0.72949433
   0.74672592  0.64517995  0.95155721
   0.49906581  0.67997669  0.90071913
   0.62763149  0.77493883  0.59889580
   0.58750654  0.84580178  0.37358241
   0.90224279  0.25104340  0.08306548
   0.90186777  0.39836350  0.39698392
   0.27488820  0.11468905  0.65254079
   0.21280561  0.73586695  0.76312330
   0.02854428  1.14696785  0.11829953
   0.23609032  1.05168262  0.02792779
   0.61422340  0.35923297  0.82956455
   0.89180801  0.38648609  0.60919371
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964661    0.285138   -0.138845
    -0.000000    9.761765    0.097324
    -0.000000    0.000000   13.836579
   Si   O    H 
    32    64    10
Direct configuration=   714
   0.17779998  0.17131540 -0.02397092
   0.38307973  0.07712512  0.36564343
   0.14500289  0.41228361  0.11342715
   0.37957164  0.34997864  0.24565972
   0.12414411  0.16562978  0.48052694
   0.41375837  0.13842543  0.84859069
   0.12179805  0.41220160  0.61524780
   0.36084316  0.39179588  0.74648205
   0.10642455  0.67539051  0.01202953
   0.41233364  0.58335884  0.36686553
   0.05986210  0.91526827  0.15065708
   0.32344725  0.83032994  0.24880577
   0.17644065  0.67832202  0.49720417
   0.34834615  0.63577743  0.88041503
   0.06687019  0.91108978  0.60849381
   0.31512285  0.98463681  0.68877778
   0.62877764  0.15918581  1.01095634
   0.86984187  0.13213921  0.36140609
   0.61658891  0.42737087  0.12056909
   0.89911676  0.32553847  0.17805315
   0.62888812  0.17740394  0.49378197
   0.88505777  0.10093601  0.88064447
   0.58350723  0.43433761  0.60337126
   0.74522548  0.34709975  0.78380475
   0.60102941  0.68448818 -0.00569067
   0.91512628  0.60424431  0.37573821
   0.57132669  0.91549595  0.14093476
   0.81944006  0.85225163  0.26063590
   0.65745441  0.64765168  0.46067538
   0.85696604  0.60313468  0.87145129
   0.59122254  0.91238316  0.63167960
   0.83244566  0.86443329  0.74802785
   0.09108185  0.07528425  0.15097679
   0.34908457  0.19440906  0.28182797
   0.12348529  0.31894399  0.02243653
   0.34516326  0.43741261  0.34033367
   0.54045206  0.37450608  0.21525186
   0.29683042  0.39442944  0.14960420
   0.26901952  0.09017004  0.45405128
   0.02755126  0.15690761  0.38813900
   0.05209197  0.06626105  0.56401175
   0.44099196  0.25067616  0.76452733
   0.14239216  0.32256470  0.51969265
   0.33908505  0.47877543  0.84404135
   0.46636583  0.47847054  0.67393576
   0.20911556  0.34536376  0.70764826
   0.29787848  0.22550588 -0.09264891
   0.03713826  0.13318126  0.91744357
   0.12429196  0.57652294  0.10451638
   0.36996755  0.66947215  0.26593148
   0.07904641  0.82476648  0.05244907
   0.37452407  0.91290243  0.34243565
   0.41330674  0.90451413  0.16127272
   0.16298375  0.82751967  0.23067201
   0.33404497  0.66658839  0.45541258
   0.07369423  0.62108985  0.40931870
   0.15382299  0.58174151  0.58993421
   0.29851393  0.69455303  0.77610029
   0.11757335  0.82609278  0.51668931
   0.36433891  0.99422553  0.79979474
   0.42645019  0.89560032  0.63270284
   0.17363113  0.90752282  0.69551944
   0.24433413  0.66893936 -0.03646945
   0.00120526  0.61758667  0.93646356
   0.60716093  0.07419054  0.11279473
   0.84721257  0.21933640  0.25695998
   0.58739722  0.31764766  0.03413608
   0.86659596  0.45073233  0.34051401
   0.04588971  0.37266141  0.19989535
   0.77418137  0.44081684  0.14780614
   0.78367075  0.19509212  0.45602541
   0.52311498  0.11293112  0.41777508
   0.63828896  0.06604317  0.58183183
   0.82007640  0.19258531  0.78984649
   0.57215463  0.33885855  0.50876896
   0.85431821  0.44603422  0.84307574
   0.96927016  0.41837991  0.65211162
   0.72190867  0.38558231  0.66881409
   0.78783225  0.13641414  0.97112505
   0.53955030  0.11066623  0.91944018
   0.56693718  0.56228337  0.06964800
   0.87540223  0.70452223  0.29271280
   0.59285041  0.82923878  0.04309944
   0.84844837  0.97116640  0.34887618
   0.90339131  0.89558657  0.16625563
   0.66430035  0.85548510  0.23367541
   0.81738620  0.62774185  0.46180629
   0.57858597  0.56268097  0.37645025
   0.62268032  0.58165651  0.56691405
   0.85323642  0.70262735  0.77907961
   0.63489815  0.81487764  0.43254044
   0.90013178  0.94692691  0.83945974
   0.92617528  0.87212305  0.65055909
   0.67791199  0.91935422  0.72947685
   0.74875576  0.64324877  0.95148299
   0.49814617  0.68016048  0.90056936
   0.62885243  0.77611737  0.59849078
   0.58633501  0.85050464  0.37041808
   0.89482451  0.25042600  0.08738673
   0.90637071  0.40580826  0.40330430
   0.27029255  0.12120591  0.65484559
   0.21997909  0.74107751  0.76945832
   0.03199057  1.14690926  0.12443003
   0.23609026  1.05023840  0.02970284
   0.61641268  0.35813697  0.82947973
   0.89155470  0.38284795  0.60932127
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964596    0.285593   -0.137314
    -0.000000    9.762907    0.097152
    -0.000000    0.000000   13.836726
   Si   O    H 
    32    64    10
Direct configuration=   715
   0.17840087  0.17155310 -0.02395771
   0.38300663  0.07622143  0.36510776
   0.14443184  0.41202341  0.11284541
   0.38040710  0.35052193  0.24654481
   0.12282640  0.16573459  0.48016645
   0.41424275  0.13769772  0.84839166
   0.12291266  0.41189214  0.61458117
   0.36253316  0.39271647  0.74842736
   0.10657334  0.67504050  0.01238053
   0.41241125  0.58340231  0.36683815
   0.05959294  0.91528645  0.15045246
   0.32487606  0.83028484  0.24854593
   0.17738717  0.67639266  0.49739682
   0.34893628  0.63586219  0.88058232
   0.06775649  0.91246248  0.60959467
   0.31495519  0.98443537  0.68867651
   0.62699016  0.16141829  1.01124416
   0.86908668  0.13270714  0.36126969
   0.61625922  0.42899788  0.12117121
   0.89888719  0.32548288  0.17773156
   0.62831678  0.17783958  0.49383273
   0.88476642  0.10143973  0.88052827
   0.58399023  0.43424355  0.60362840
   0.74390495  0.34745982  0.78489420
   0.60163630  0.68488518 -0.00616342
   0.91607002  0.60350515  0.37539906
   0.57182517  0.91426346  0.14133621
   0.81985887  0.85308398  0.26045012
   0.65617105  0.64765736  0.46068516
   0.85547954  0.60243384  0.87162622
   0.59057672  0.91306985  0.63239274
   0.83295711  0.86391151  0.74856627
   0.09090853  0.07360325  0.15072746
   0.34927050  0.19428449  0.28242844
   0.12134824  0.31941600  0.02166509
   0.34621626  0.43595981  0.34120538
   0.54039753  0.37470279  0.21572553
   0.29537949  0.39350491  0.15023676
   0.26890914  0.08836534  0.45400052
   0.02625258  0.15572952  0.38909549
   0.05218152  0.06528601  0.56415381
   0.44150351  0.24917142  0.76435031
   0.14267576  0.32022275  0.51918420
   0.33972915  0.47786812  0.84291746
   0.46550675  0.47812445  0.67463499
   0.20953508  0.34660159  0.70732761
   0.29672708  0.22642638 -0.09311128
   0.03542107  0.13384531  0.91911515
   0.12424994  0.57597458  0.10516424
   0.36917387  0.67133405  0.26561684
   0.07840373  0.82508921  0.05282921
   0.37584318  0.91197477  0.34293027
   0.41277118  0.90438885  0.15937030
   0.16261718  0.82847828  0.23090747
   0.33558215  0.66550140  0.45559365
   0.07306095  0.62391051  0.41160249
   0.15335670  0.58242776  0.58914733
   0.29919968  0.69524067  0.77693469
   0.11701938  0.82466261  0.51447075
   0.36485327  0.99399333  0.79977932
   0.42563285  0.89668741  0.63158288
   0.17424000  0.90502861  0.69690278
   0.24428227  0.66939992 -0.03642973
   0.00199069  0.61656894  0.93677973
   0.60914976  0.07481108  0.11241722
   0.84914247  0.22134984  0.25679679
   0.58787747  0.31595145  0.03384861
   0.86623439  0.45300710  0.34039406
   0.04481535  0.37117027  0.20056765
   0.77470689  0.43971381  0.14910637
   0.78239088  0.19531946  0.45659911
   0.52457553  0.11402034  0.41729183
   0.63945869  0.06578842  0.58097996
   0.82132772  0.19194208  0.78965820
   0.57001254  0.33639220  0.50821868
   0.85392562  0.44359441  0.84248098
   0.96589302  0.41914037  0.65104056
   0.72119110  0.38563515  0.66907905
   0.78874115  0.13603256  0.97198451
   0.53921610  0.11000776  0.91965387
   0.56829206  0.56357487  0.07073640
   0.87534766  0.70481757  0.29090857
   0.59372215  0.83120019  0.04485802
   0.84818998  0.96834597  0.34964686
   0.90200278  0.89590674  0.16666113
   0.66479275  0.85689028  0.23316891
   0.81798600  0.62575623  0.46339311
   0.57705829  0.56235831  0.37566610
   0.62356817  0.58221863  0.56753464
   0.85109848  0.70407529  0.77936575
   0.63455827  0.81492609  0.43214050
   0.89965316  0.94591882  0.83999281
   0.92749909  0.87229592  0.65153697
   0.67786410  0.91968477  0.72944627
   0.75063608  0.64207372  0.95132049
   0.49762541  0.68010461  0.90025016
   0.63123619  0.78052005  0.59712904
   0.59033483  0.85059524  0.37237499
   0.89104963  0.24529086  0.09067828
   0.90854123  0.41145840  0.40260702
   0.26563904  0.12685649  0.65654501
   0.21184467  0.75659541  0.77213904
   0.03074983  1.15186728  0.12826691
   0.23736896  1.04863143  0.03362187
   0.62007065  0.35866762  0.83175578
   0.89779064  0.38291589  0.61220606
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964371    0.285978   -0.135857
    -0.000000    9.763980    0.096843
    -0.000000    0.000000   13.836790
   Si   O    H 
    32    64    10
Direct configuration=   716
   0.17854507  0.17158570 -0.02441597
   0.38297087  0.07530729  0.36465384
   0.14423621  0.41198555  0.11261183
   0.38118572  0.35065681  0.24739742
   0.12164335  0.16552221  0.48018453
   0.41488151  0.13734397  0.84842150
   0.12341270  0.41162695  0.61485372
   0.36419750  0.39394508  0.75033324
   0.10702565  0.67468987  0.01314026
   0.41221250  0.58392987  0.36728872
   0.05919603  0.91478763  0.15047669
   0.32640735  0.83022969  0.24765808
   0.17825753  0.67434209  0.49771005
   0.34901358  0.63595549  0.88036047
   0.06902246  0.91389134  0.61039884
   0.31368138  0.98455373  0.68884443
   0.62604687  0.16254453  1.01170371
   0.86860910  0.13338911  0.36118469
   0.61609039  0.43039881  0.12153399
   0.89833563  0.32607910  0.17768533
   0.62763459  0.17802360  0.49374779
   0.88403067  0.10173895  0.88063697
   0.58444389  0.43435442  0.60388367
   0.74355244  0.34831058  0.78549824
   0.60235543  0.68489760 -0.00659862
   0.91719794  0.60268808  0.37511216
   0.57231115  0.91318244  0.14167971
   0.82007259  0.85470188  0.26030837
   0.65425967  0.64775108  0.46101579
   0.85451076  0.60187774  0.87136745
   0.58999256  0.91355605  0.63244911
   0.83366072  0.86338092  0.74882402
   0.09049050  0.07285164  0.15063260
   0.34994454  0.19308923  0.28246810
   0.11941173  0.31965144  0.02072037
   0.34636520  0.43465835  0.34282228
   0.54036702  0.37502587  0.21578133
   0.29328824  0.39270460  0.15082160
   0.26789144  0.08695695  0.45422943
   0.02486651  0.15487118  0.38978562
   0.05242705  0.06494796  0.56468935
   0.44273823  0.24792033  0.76432741
   0.14283757  0.31790134  0.51853924
   0.34104117  0.47678083  0.84212127
   0.46419052  0.47777634  0.67528126
   0.21010091  0.34799348  0.70703174
   0.29517888  0.22722261 -0.09375784
   0.03373120  0.13428665  0.92054153
   0.12386707  0.57570974  0.10595111
   0.36827970  0.67352595  0.26580927
   0.07786087  0.82611865  0.05329453
   0.37718551  0.91196912  0.34361468
   0.41248196  0.90442872  0.15788464
   0.16180001  0.82972342  0.23105842
   0.33709950  0.66425081  0.45568816
   0.07296490  0.62557368  0.41349900
   0.15406819  0.58300850  0.58867970
   0.29937127  0.69607306  0.77742532
   0.11688090  0.82351526  0.51273397
   0.36651216  0.99417199  0.79998702
   0.42455174  0.89671230  0.63076247
   0.17529240  0.90278802  0.69828954
   0.24455046  0.66915153 -0.03703647
   0.00300674  0.61537349  0.93678797
   0.61117792  0.07469543  0.11240249
   0.85135506  0.22231475  0.25747616
   0.58901002  0.31421754  0.03427382
   0.86604535  0.45460604  0.34032988
   0.04385208  0.36965708  0.20128279
   0.77582074  0.43840571  0.15107239
   0.78181348  0.19547943  0.45681660
   0.52614935  0.11528960  0.41637352
   0.63997410  0.06584244  0.58022413
   0.82134643  0.19125640  0.78900777
   0.56742492  0.33446061  0.50790095
   0.85331681  0.44119201  0.84156522
   0.96399328  0.41914546  0.65016727
   0.72056577  0.38535502  0.66978970
   0.78861122  0.13667765  0.97290873
   0.53940177  0.10896026  0.91964188
   0.56918911  0.56516431  0.07140754
   0.87495430  0.70472942  0.28883071
   0.59499599  0.83311802  0.04612984
   0.84740553  0.96536087  0.34934377
   0.90045550  0.89641901  0.16698241
   0.66452530  0.85811491  0.23264663
   0.81881099  0.62451513  0.46482464
   0.57588408  0.56181390  0.37583815
   0.62402370  0.58382022  0.56730991
   0.84954119  0.70542227  0.78011762
   0.63465890  0.81545405  0.43091063
   0.89871686  0.94457152  0.84001390
   0.92725181  0.87141297  0.65288551
   0.67840938  0.91903368  0.73035584
   0.75155278  0.64137610  0.95161602
   0.49743434  0.67967571  0.89944936
   0.63299357  0.78373028  0.59507949
   0.59088117  0.85197359  0.37807957
   0.89382960  0.24046315  0.09096695
   0.90712074  0.41242934  0.39713458
   0.26738339  0.12692695  0.65932502
   0.21268090  0.76762187  0.77402581
   0.03009314  1.15682248  0.13139248
   0.23561585  1.04997272  0.03492916
   0.61931192  0.35962469  0.83903396
   0.89575118  0.38128108  0.61047726
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964250    0.286426   -0.133646
    -0.000000    9.765211    0.096212
    -0.000000    0.000000   13.836763
   Si   O    H 
    32    64    10
Direct configuration=   717
   0.17882769  0.17199812 -0.02503232
   0.38323613  0.07512214  0.36430170
   0.14425930  0.41211033  0.11259717
   0.38173035  0.35053236  0.24814685
   0.12052336  0.16493431  0.48041089
   0.41567165  0.13680442  0.84848224
   0.12441166  0.41151018  0.61520707
   0.36582700  0.39453282  0.75160457
   0.10719227  0.67464354  0.01448821
   0.41164530  0.58444832  0.36748109
   0.05858889  0.91421306  0.15059875
   0.32792060  0.83017705  0.24675040
   0.17904235  0.67218105  0.49760930
   0.34880283  0.63604582  0.87963651
   0.06958224  0.91490086  0.61101200
   0.31245070  0.98588722  0.68903082
   0.62524751  0.16326199  1.01174018
   0.86804594  0.13426490  0.36076234
   0.61618102  0.43201404  0.12161817
   0.89735302  0.32578455  0.17761284
   0.62661070  0.17799785  0.49357189
   0.88278584  0.10244425  0.88076254
   0.58529959  0.43375967  0.60382559
   0.74330911  0.34873234  0.78616297
   0.60325461  0.68500768 -0.00752916
   0.91875237  0.60183034  0.37469029
   0.57219012  0.91222451  0.14246873
   0.82042685  0.85605995  0.26020003
   0.65260257  0.64799749  0.46129034
   0.85421860  0.60112494  0.87147721
   0.58939564  0.91432263  0.63278523
   0.83471526  0.86249491  0.74933165
   0.09066609  0.07237117  0.15083182
   0.35022542  0.19182055  0.28233659
   0.11731661  0.31895839  0.01950211
   0.34677437  0.43404353  0.34393938
   0.53919599  0.37520130  0.21535732
   0.29160815  0.39077483  0.15181721
   0.26799172  0.08569461  0.45456587
   0.02377054  0.15428031  0.39038427
   0.05253050  0.06472341  0.56555773
   0.44416041  0.24667285  0.76390645
   0.14295082  0.31581034  0.51840839
   0.34179116  0.47615213  0.84194720
   0.46357667  0.47735414  0.67617698
   0.21120515  0.34855806  0.70639020
   0.29368235  0.22783635 -0.09448553
   0.03314710  0.13454983  0.92174605
   0.12306266  0.57498451  0.10712646
   0.36768768  0.67563247  0.26581502
   0.07771988  0.82723077  0.05338193
   0.37776025  0.91201794  0.34394962
   0.41229125  0.90372981  0.15650388
   0.16172547  0.83093501  0.23148702
   0.33820000  0.66326109  0.45609663
   0.07355572  0.62736626  0.41448657
   0.15426907  0.58274372  0.58860379
   0.29911618  0.69695342  0.77696753
   0.11662153  0.82297931  0.51188174
   0.36805509  0.99552943  0.80095599
   0.42366671  0.89708587  0.63001310
   0.17645445  0.90089784  0.69931570
   0.24514283  0.66913313 -0.03779478
   0.00250622  0.61496306  0.93658124
   0.61324032  0.07529575  0.11288940
   0.85337730  0.22250699  0.25861282
   0.58916132  0.31297464  0.03515147
   0.86670637  0.45505869  0.34093830
   0.04328014  0.36882935  0.20213751
   0.77648714  0.43678429  0.15313144
   0.78117799  0.19564820  0.45644627
   0.52761570  0.11721081  0.41572861
   0.64012779  0.06528565  0.57953578
   0.82164376  0.19053704  0.78831480
   0.56559733  0.33251526  0.50786084
   0.85282010  0.43969689  0.84120584
   0.96378470  0.41859582  0.64963128
   0.71969160  0.38442134  0.67078638
   0.78808023  0.13799641  0.97409966
   0.53956409  0.10922399  0.91989625
   0.56975392  0.56821718  0.07171715
   0.87496810  0.70431484  0.28683710
   0.59629938  0.83451699  0.04648647
   0.84604847  0.96276263  0.34919282
   0.89877440  0.89638506  0.16718055
   0.66336086  0.85976669  0.23195774
   0.81888488  0.62397416  0.46628638
   0.57433475  0.56083268  0.37604964
   0.62453303  0.58547652  0.56719156
   0.84857444  0.70616718  0.78070866
   0.63448110  0.81504790  0.43052770
   0.89780110  0.94368519  0.83920537
   0.92603350  0.87062576  0.65430076
   0.67846214  0.91768609  0.73115694
   0.75126820  0.64126120  0.95183121
   0.49733254  0.67999880  0.89919297
   0.63619211  0.78807746  0.59451576
   0.57910435  0.85655030  0.37369401
   0.89925930  0.23383622  0.09015586
   0.90925821  0.40575740  0.39567980
   0.27284191  0.12440179  0.66227790
   0.22554290  0.76642718  0.77880001
   0.03047274  1.15572201  0.13511243
   0.23360554  1.05570216  0.03454301
   0.61725218  0.36067372  0.84534762
   0.88748214  0.37850759  0.60827009
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963879    0.287303   -0.131735
    -0.000000    9.766355    0.095877
    -0.000000    0.000000   13.836962
   Si   O    H 
    32    64    10
Direct configuration=   718
   0.17809894  0.17288560 -0.02582536
   0.38407603  0.07503213  0.36408978
   0.14434941  0.41184466  0.11287245
   0.38192986  0.35061506  0.24886548
   0.11983452  0.16341217  0.48074497
   0.41624290  0.13589912  0.84912716
   0.12579618  0.41151230  0.61585723
   0.36745935  0.39436341  0.75176528
   0.10710114  0.67521146  0.01581279
   0.41097068  0.58515783  0.36787903
   0.05802445  0.91327264  0.15086031
   0.32927992  0.83077220  0.24570429
   0.17955509  0.66989051  0.49747330
   0.34808515  0.63599108  0.87894828
   0.06987262  0.91524912  0.61122386
   0.31181312  0.98749676  0.68929880
   0.62472723  0.16376094  1.01165955
   0.86706328  0.13500765  0.36039151
   0.61638608  0.43353560  0.12160972
   0.89627553  0.32517789  0.17747278
   0.62594460  0.17816042  0.49324827
   0.88144122  0.10288588  0.88085433
   0.58663489  0.43280330  0.60380612
   0.74324165  0.34881072  0.78660535
   0.60358733  0.68574319 -0.00898451
   0.92040460  0.60181991  0.37452553
   0.57188901  0.91157462  0.14306857
   0.82117332  0.85694941  0.26030877
   0.65184633  0.64823288  0.46169360
   0.85367881  0.60048490  0.87192744
   0.58900083  0.91596565  0.63295244
   0.83570111  0.86213083  0.74973061
   0.09147617  0.07229239  0.15122761
   0.35035958  0.19055778  0.28184574
   0.11547076  0.31811247  0.01874249
   0.34623735  0.43340949  0.34474908
   0.53789647  0.37554012  0.21556983
   0.29060908  0.38967149  0.15278006
   0.26860490  0.08518131  0.45472196
   0.02317903  0.15311429  0.39087036
   0.05295263  0.06457446  0.56601117
   0.44527324  0.24512703  0.76307456
   0.14317017  0.31421259  0.51810339
   0.34205512  0.47608981  0.84223667
   0.46335731  0.47694801  0.67681333
   0.21287001  0.34966253  0.70565734
   0.29373063  0.22817597 -0.09553832
   0.03310577  0.13536117  0.92295056
   0.12148832  0.57480405  0.10784713
   0.36816022  0.67625220  0.26610019
   0.07761939  0.82835047  0.05319428
   0.37811122  0.91254313  0.34448327
   0.41204844  0.90248196  0.15520307
   0.16207137  0.83232530  0.23246011
   0.33908463  0.66215772  0.45648763
   0.07387612  0.62942558  0.41557596
   0.15453434  0.58146542  0.58871043
   0.29811237  0.69826126  0.77633820
   0.11594517  0.82332475  0.51142799
   0.36975100  0.99686478  0.80266680
   0.42299873  0.89804762  0.62874486
   0.17703128  0.89941509  0.69977574
   0.24588143  0.66864481 -0.03836736
   0.00163445  0.61400005  0.93643037
   0.61505449  0.07567186  0.11344438
   0.85430232  0.22271903  0.26065691
   0.58921987  0.31347767  0.03579610
   0.86727099  0.45526146  0.34142056
   0.04351279  0.36866507  0.20286272
   0.77647642  0.43586438  0.15515703
   0.78007641  0.19543487  0.45599501
   0.52881616  0.11932765  0.41464067
   0.64027993  0.06529569  0.57953471
   0.82184830  0.19023076  0.78744265
   0.56460213  0.33067259  0.50874262
   0.85208957  0.43937512  0.84176995
   0.96384339  0.41731390  0.64872534
   0.71798678  0.38350579  0.67114458
   0.78665122  0.13923022  0.97543571
   0.53990560  0.10871104  0.92026162
   0.57034699  0.57151640  0.07214804
   0.87452687  0.70404581  0.28473401
   0.59758555  0.83438132  0.04640319
   0.84463006  0.96030123  0.34929780
   0.89686163  0.89716824  0.16734554
   0.66179654  0.86119761  0.23121757
   0.81880174  0.62396454  0.46720084
   0.57276257  0.56034613  0.37580004
   0.62419759  0.58701773  0.56706836
   0.84653102  0.70713877  0.78168582
   0.63385928  0.81462263  0.43021465
   0.89664012  0.94408839  0.83903531
   0.92537562  0.86983768  0.65606028
   0.67955918  0.91633368  0.73223986
   0.75065406  0.64120796  0.95188937
   0.49706042  0.68096959  0.89889622
   0.63959749  0.79059747  0.59596537
   0.57190344  0.85451209  0.37445255
   0.90817380  0.23030415  0.09063371
   0.91202043  0.39592244  0.39426653
   0.27806460  0.12076181  0.66181849
   0.24245531  0.76205912  0.78256431
   0.03226938  1.15034898  0.13888762
   0.23107710  1.06288558  0.03353517
   0.61823472  0.35994526  0.84925199
   0.88282393  0.38132138  0.60700031
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963750    0.288087   -0.130023
    -0.000000    9.767837    0.095753
    -0.000000    0.000000   13.837016
   Si   O    H 
    32    64    10
Direct configuration=   719
   0.17771817  0.17355676 -0.02756258
   0.38490961  0.07547756  0.36364078
   0.14458485  0.41152109  0.11312834
   0.38178207  0.35005759  0.24948479
   0.11916395  0.16158992  0.48124968
   0.41676224  0.13555996  0.84997220
   0.12668961  0.41225616  0.61619217
   0.36859603  0.39358219  0.75127609
   0.10628933  0.67550529  0.01718920
   0.41049919  0.58576543  0.36841870
   0.05869551  0.91281068  0.15099027
   0.33048097  0.83127742  0.24499733
   0.18029268  0.66856422  0.49714338
   0.34733374  0.63622296  0.87824014
   0.07119383  0.91516399  0.61161853
   0.31225190  0.98931869  0.69011592
   0.62410659  0.16360417  1.01162043
   0.86587986  0.13600614  0.35996008
   0.61623724  0.43409494  0.12122201
   0.89540723  0.32382442  0.17715977
   0.62591107  0.17805799  0.49325541
   0.88081165  0.10329988  0.88125133
   0.58783546  0.43218878  0.60349219
   0.74290923  0.34894571  0.78674491
   0.60414205  0.68671973 -0.01028012
   0.92207900  0.60189908  0.37443139
   0.57225573  0.91131853  0.14339923
   0.82189042  0.85750343  0.26041902
   0.65280679  0.64833198  0.46194126
   0.85332242  0.60036219  0.87224271
   0.59000834  0.91736744  0.63242819
   0.83602864  0.86186073  0.75058074
   0.09213155  0.07247338  0.15204656
   0.35043160  0.18861764  0.28114499
   0.11324484  0.31714357  0.01791267
   0.34654751  0.43320003  0.34578671
   0.53671243  0.37595464  0.21585164
   0.29106064  0.38814544  0.15369388
   0.26950416  0.08531579  0.45513964
   0.02308341  0.15215906  0.39145570
   0.05333889  0.06526116  0.56595999
   0.44606752  0.24346917  0.76249703
   0.14342335  0.31273356  0.51768672
   0.34238169  0.47745326  0.84332584
   0.46248558  0.47627987  0.67751746
   0.21424184  0.35070183  0.70561831
   0.29472345  0.22858262 -0.09634624
   0.03284025  0.13603278  0.92423435
   0.11998904  0.57467689  0.10845983
   0.36869115  0.67785076  0.26702842
   0.07706202  0.82974165  0.05294144
   0.37819492  0.91405063  0.34435710
   0.41243269  0.90131083  0.15382198
   0.16224027  0.83447836  0.23352690
   0.33994500  0.66112266  0.45723845
   0.07363339  0.63125416  0.41584171
   0.15506613  0.57983581  0.58958448
   0.29856479  0.69703341  0.77511223
   0.11579601  0.82445906  0.51139669
   0.37132777  0.99861263  0.80347430
   0.42335997  0.89897704  0.62773297
   0.17755096  0.89812385  0.70005852
   0.24624698  0.66859124 -0.03890912
  -0.00027838  0.61291362  0.93630314
   0.61597489  0.07544528  0.11394164
   0.85483005  0.22199781  0.26310131
   0.58961447  0.31385490  0.03621196
   0.86860569  0.45440662  0.34218043
   0.04448871  0.36801459  0.20315896
   0.77647220  0.43585205  0.15749170
   0.77915671  0.19513429  0.45513317
   0.52937568  0.12081270  0.41348866
   0.64055296  0.06560352  0.57943164
   0.82192530  0.19008899  0.78633828
   0.56351774  0.32901065  0.50991781
   0.85124234  0.43985649  0.84177573
   0.96335090  0.41579175  0.64734294
   0.71639634  0.38271142  0.67114724
   0.78447632  0.14024332  0.97647556
   0.54000417  0.10839545  0.92096004
   0.57085623  0.57524554  0.07279885
   0.87322149  0.70376903  0.28271663
   0.59915050  0.83379087  0.04618773
   0.84372215  0.95864069  0.34892789
   0.89555205  0.89817982  0.16708350
   0.66131224  0.86263718  0.23081624
   0.81831269  0.62422794  0.46775787
   0.57145497  0.55957653  0.37565866
   0.62411276  0.58867946  0.56682871
   0.84448730  0.70649602  0.78246997
   0.63229852  0.81397817  0.43005598
   0.89519535  0.94555382  0.83967155
   0.92490084  0.86912592  0.65769501
   0.68057371  0.91474665  0.73369139
   0.74949690  0.64212158  0.95193005
   0.49735814  0.68260263  0.89825977
   0.64477342  0.79223595  0.59754177
   0.57214514  0.84634301  0.38056526
   0.91654581  0.23089223  0.09018136
   0.90884289  0.38913377  0.39006959
   0.28355557  0.12308621  0.65777312
   0.23184814  0.78605323  0.78479288
   0.03116324  1.14768457  0.14003043
   0.22907990  1.06770445  0.02904161
   0.62778280  0.35885529  0.85071120
   0.88869667  0.38598424  0.61095757
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963473    0.289265   -0.128199
    -0.000000    9.769408    0.095621
    -0.000000    0.000000   13.837424
   Si   O    H 
    32    64    10
Direct configuration=   720
   0.17693717  0.17412945 -0.02910452
   0.38598436  0.07520832  0.36379017
   0.14454201  0.41107324  0.11331004
   0.38217037  0.34865926  0.25027585
   0.11823440  0.15915537  0.48166385
   0.41767592  0.13607319  0.85096483
   0.12692528  0.41330903  0.61642798
   0.36994754  0.39253868  0.75062106
   0.10533466  0.67573835  0.01779397
   0.40968303  0.58599591  0.36888730
   0.05958481  0.91242897  0.15111908
   0.33072881  0.83226283  0.24375897
   0.18096634  0.66767821  0.49652736
   0.34635933  0.63661278  0.87724558
   0.07229816  0.91496292  0.61179105
   0.31332438  0.99013462  0.69078857
   0.62388589  0.16276697  1.01160587
   0.86486044  0.13597713  0.35957640
   0.61573831  0.43420639  0.12095429
   0.89435896  0.32210309  0.17634557
   0.62572046  0.17727661  0.49323276
   0.87981672  0.10327607  0.88132932
   0.58899189  0.43190297  0.60332394
   0.74251836  0.34906621  0.78689258
   0.60367591  0.68744247 -0.01161700
   0.92365573  0.60239313  0.37453072
   0.57304328  0.91164393  0.14388891
   0.82237492  0.85742534  0.26094097
   0.65349599  0.64876033  0.46241296
   0.85358838  0.60010070  0.87267966
   0.59065602  0.91950264  0.63240989
   0.83628058  0.86231318  0.75091804
   0.09319680  0.07199206  0.15316104
   0.35031914  0.18761277  0.28023949
   0.11130648  0.31568447  0.01713800
   0.34603593  0.43382214  0.34635408
   0.53572667  0.37624181  0.21597452
   0.29177891  0.38687847  0.15478591
   0.27056551  0.08565120  0.45461993
   0.02301215  0.15199341  0.39251085
   0.05409133  0.06561040  0.56581708
   0.44675998  0.24194178  0.76230765
   0.14326419  0.31201831  0.51769049
   0.34315423  0.47912905  0.84425627
   0.46132034  0.47481147  0.67838359
   0.21625889  0.35207383  0.70569594
   0.29489896  0.22897912 -0.09731948
   0.03237756  0.13566870  0.92509734
   0.11854248  0.57509295  0.10869048
   0.37019864  0.67841039  0.26756847
   0.07695845  0.83117840  0.05203329
   0.37879340  0.91433591  0.34333604
   0.41244841  0.89973940  0.15334383
   0.16187015  0.83717903  0.23400099
   0.33969910  0.66036126  0.45872654
   0.07238643  0.63230736  0.41551753
   0.15498959  0.57760167  0.59040982
   0.29828885  0.69656709  0.77362896
   0.11529425  0.82628282  0.51163291
   0.37326827  0.99918780  0.80410783
   0.42490096  0.89946195  0.62720930
   0.17742305  0.89743894  0.70005592
   0.24643065  0.66934654 -0.03913397
  -0.00190703  0.61204036  0.93571926
   0.61653725  0.07601395  0.11449082
   0.85481236  0.22154653  0.26596608
   0.58896813  0.31452809  0.03639498
   0.87007159  0.45366493  0.34283053
   0.04564573  0.36775966  0.20297597
   0.77647289  0.43560720  0.15932500
   0.77835171  0.19399904  0.45353221
   0.52945124  0.12196496  0.41180783
   0.64044942  0.06527184  0.57945082
   0.82186181  0.18982972  0.78548245
   0.56265978  0.32740095  0.51158805
   0.85089572  0.44175772  0.84174211
   0.96383308  0.41426470  0.64639262
   0.71463815  0.38263005  0.67148199
   0.78281682  0.14113138  0.97748784
   0.53985311  0.10755439  0.92133539
   0.57120393  0.57876632  0.07335457
   0.87207936  0.70319719  0.28140796
   0.60007273  0.83226684  0.04562059
   0.84355420  0.95725412  0.34864498
   0.89522121  0.89991579  0.16642330
   0.66042356  0.86429923  0.23056551
   0.81784746  0.62439964  0.46806880
   0.56953342  0.55825499  0.37603146
   0.62355447  0.58951315  0.56693731
   0.84222201  0.70589862  0.78375039
   0.63134848  0.81340437  0.43019596
   0.89359030  0.94724620  0.84043587
   0.92500736  0.86847536  0.65927159
   0.68147062  0.91354011  0.73530913
   0.74867210  0.64317552  0.95264384
   0.49790101  0.68473920  0.89812919
   0.64918376  0.79272026  0.59787416
   0.56860944  0.84093578  0.38307711
   0.91985945  0.23442074  0.08996623
   0.90544799  0.38234765  0.38441904
   0.28777079  0.13075980  0.65407155
   0.22951180  0.79538375  0.78409384
   0.02721384  1.15086677  0.13911627
   0.22872604  1.06658414  0.02679209
   0.63432682  0.36047253  0.85261599
   0.89005972  0.38721821  0.61213343
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962762    0.290076   -0.126841
    -0.000000    9.771369    0.095621
    -0.000000    0.000000   13.837878
   Si   O    H 
    32    64    10
Direct configuration=   721
   0.17579741  0.17463111 -0.03075216
   0.38700193  0.07527869  0.36436989
   0.14513064  0.41003308  0.11328884
   0.38241122  0.34755848  0.25105796
   0.11678692  0.15719800  0.48161850
   0.41819491  0.13721144  0.85179996
   0.12682612  0.41439771  0.61680679
   0.37109505  0.39108507  0.74946404
   0.10440395  0.67605317  0.01826963
   0.40873604  0.58623335  0.36900423
   0.05984114  0.91268596  0.15135528
   0.33078651  0.83302097  0.24280328
   0.18162219  0.66723812  0.49611844
   0.34539553  0.63686991  0.87600815
   0.07306856  0.91449071  0.61147711
   0.31436434  0.99059238  0.69146786
   0.62327396  0.16193175  1.01138969
   0.86390790  0.13550042  0.35932788
   0.61547979  0.43367892  0.12051041
   0.89328044  0.32054387  0.17564065
   0.62567795  0.17604578  0.49355896
   0.87905438  0.10304693  0.88139917
   0.58951063  0.43213005  0.60344162
   0.74123001  0.34903826  0.78662901
   0.60314048  0.68763525 -0.01264471
   0.92496490  0.60358754  0.37473760
   0.57332742  0.91256283  0.14400469
   0.82258774  0.85655003  0.26152789
   0.65397959  0.64930680  0.46261062
   0.85344504  0.60027573  0.87296159
   0.59159616  0.92166395  0.63220937
   0.83649475  0.86317776  0.75144254
   0.09380715  0.07184387  0.15450877
   0.35033357  0.18673871  0.27952132
   0.11008350  0.31527802  0.01657481
   0.34577415  0.43538589  0.34660358
   0.53472991  0.37652272  0.21573617
   0.29309820  0.38535560  0.15606284
   0.27127155  0.08573303  0.45429486
   0.02217749  0.15219944  0.39338588
   0.05453173  0.06573828  0.56648743
   0.44725857  0.24064938  0.76222111
   0.14367781  0.31216903  0.51811048
   0.34470169  0.48117065  0.84548324
   0.46022367  0.47373869  0.67859810
   0.21786940  0.35291237  0.70550368
   0.29476470  0.22824686 -0.09785126
   0.03137664  0.13480110  0.92503734
   0.11817526  0.57519775  0.10899210
   0.37222073  0.67798290  0.26810499
   0.07680782  0.83204187  0.05142763
   0.37972796  0.91408542  0.34197447
   0.41164422  0.89853056  0.15336015
   0.16102991  0.83976704  0.23417226
   0.33930811  0.65976887  0.46006722
   0.07095847  0.63259608  0.41494294
   0.15405388  0.57606188  0.59140700
   0.29697037  0.69684673  0.77202076
   0.11565429  0.82754816  0.51227597
   0.37465249  0.99934536  0.80447626
   0.42687961  0.90024758  0.62699991
   0.17754233  0.89742857  0.70004646
   0.24627110  0.67020772 -0.03929071
  -0.00419630  0.61165693  0.93492158
   0.61701816  0.07592020  0.11501739
   0.85492727  0.22114880  0.26853710
   0.58831281  0.31601032  0.03661114
   0.87187318  0.45382719  0.34359774
   0.04695063  0.36831822  0.20254498
   0.77618993  0.43513004  0.16109340
   0.77792757  0.19314980  0.45173920
   0.52929488  0.12314704  0.41002520
   0.64046205  0.06520739  0.57915282
   0.82186566  0.18992882  0.78449595
   0.56221211  0.32650766  0.51290007
   0.85023417  0.44379160  0.84151697
   0.96564682  0.41322377  0.64622412
   0.71336489  0.38141524  0.67150662
   0.78120825  0.14182962  0.97785143
   0.53961084  0.10670214  0.92145177
   0.57136628  0.58138507  0.07414386
   0.87112736  0.70253626  0.28014183
   0.60069333  0.83054675  0.04497805
   0.84290031  0.95665301  0.34896573
   0.89564884  0.90213474  0.16558254
   0.66033654  0.86572736  0.23050697
   0.81792375  0.62510775  0.46816552
   0.56785782  0.55693020  0.37667473
   0.62202816  0.59013971  0.56708848
   0.83995014  0.70601522  0.78525010
   0.63047100  0.81277810  0.43028939
   0.89195686  0.94876982  0.84118691
   0.92646792  0.86808890  0.66055500
   0.68267025  0.91242718  0.73665689
   0.74769813  0.64453635  0.95357466
   0.49831673  0.68652855  0.89838921
   0.65128500  0.79172389  0.59921063
   0.56201957  0.83841006  0.38201686
   0.91988944  0.23488611  0.08915143
   0.90281645  0.37648527  0.38315019
   0.28883179  0.13631975  0.65114625
   0.23601554  0.78854088  0.78060946
   0.02622971  1.15131691  0.13765914
   0.23015837  1.06292442  0.02719848
   0.63479054  0.36071438  0.85315850
   0.88044647  0.38560641  0.60819952
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962135    0.291159   -0.125276
    -0.000000    9.773560    0.095500
    -0.000000    0.000000   13.837635
   Si   O    H 
    32    64    10
Direct configuration=   722
   0.17458680  0.17551850 -0.03247141
   0.38742411  0.07592719  0.36465131
   0.14554306  0.40900646  0.11294773
   0.38222493  0.34604880  0.25173405
   0.11614999  0.15470855  0.48169969
   0.41842077  0.13815907  0.85295174
   0.12690783  0.41552699  0.61710359
   0.37136504  0.38941146  0.74871964
   0.10344432  0.67618885  0.01847111
   0.40764109  0.58574324  0.36851155
   0.06014167  0.91241023  0.15191213
   0.33070248  0.83342696  0.24221842
   0.18220083  0.66762791  0.49508472
   0.34477251  0.63694836  0.87495487
   0.07346637  0.91362384  0.61115561
   0.31543087  0.99129214  0.69207426
   0.62344469  0.16091569  1.01113770
   0.86331107  0.13536967  0.35961254
   0.61505212  0.43275634  0.12000399
   0.89198502  0.31880376  0.17536898
   0.62529423  0.17492817  0.49360974
   0.87847914  0.10328502  0.88122894
   0.58937384  0.43250235  0.60382786
   0.74044817  0.34866286  0.78694662
   0.60206744  0.68792637 -0.01306453
   0.92592826  0.60446892  0.37513419
   0.57391325  0.91348358  0.14438368
   0.82283061  0.85575637  0.26257045
   0.65434974  0.64975602  0.46205094
   0.85437927  0.59987367  0.87371540
   0.59263641  0.92377530  0.63152738
   0.83588420  0.86398294  0.75160491
   0.09371955  0.07146623  0.15597704
   0.35051289  0.18630501  0.27903944
   0.10864362  0.31506941  0.01654972
   0.34522742  0.43653947  0.34642000
   0.53382650  0.37755883  0.21520451
   0.29440720  0.38369824  0.15744284
   0.27192831  0.08600318  0.45380165
   0.02107231  0.15221485  0.39369627
   0.05472481  0.06594783  0.56708806
   0.44774848  0.24029633  0.76215519
   0.14448853  0.31297455  0.51862437
   0.34616591  0.48232557  0.84695825
   0.45898662  0.47278413  0.67890396
   0.21984472  0.35381288  0.70527248
   0.29507846  0.22684736 -0.09795826
   0.03040140  0.13385856  0.92474565
   0.11713815  0.57658344  0.10931072
   0.37407021  0.67703659  0.26877480
   0.07760895  0.83282933  0.05091723
   0.38104023  0.91366542  0.34087208
   0.41030014  0.89728233  0.15314530
   0.16019961  0.84210379  0.23449097
   0.33828286  0.66011704  0.46138906
   0.06959014  0.63235439  0.41393375
   0.15371815  0.57497636  0.59226943
   0.29521211  0.69746745  0.77078656
   0.11699793  0.82775275  0.51330865
   0.37488839  0.99982113  0.80389133
   0.42866775  0.90204203  0.62665765
   0.17775873  0.89825006  0.69962038
   0.24535805  0.67080834 -0.03920339
  -0.00554846  0.61138403  0.93440417
   0.61655130  0.07541867  0.11515324
   0.85515755  0.22143412  0.26984417
   0.58819311  0.31802740  0.03662845
   0.87412041  0.45295817  0.34392575
   0.04750312  0.36857145  0.20196548
   0.77608456  0.43519692  0.16240690
   0.77776216  0.19257761  0.44982372
   0.52977698  0.12417161  0.40813721
   0.64023478  0.06482821  0.57894524
   0.82118656  0.19054884  0.78412979
   0.56198774  0.32593039  0.51489882
   0.84966512  0.44619045  0.84153573
   0.96724930  0.41209596  0.64566263
   0.71266467  0.37983546  0.67146501
   0.77950734  0.14161558  0.97824206
   0.53927843  0.10515554  0.92177205
   0.57119002  0.58273486  0.07553688
   0.87028275  0.70098136  0.27937425
   0.60123593  0.82928772  0.04416379
   0.84217652  0.95704186  0.34952198
   0.89644959  0.90475984  0.16476038
   0.66051512  0.86681124  0.23125201
   0.81770946  0.62617218  0.46828425
   0.56691979  0.55671388  0.37722610
   0.62097937  0.59044145  0.56682147
   0.83810213  0.70539643  0.78627751
   0.62867378  0.81226236  0.43033999
   0.89120102  0.95027526  0.84216779
   0.92977142  0.86807241  0.66114390
   0.68337838  0.91125353  0.73827330
   0.74629339  0.64610587  0.95475561
   0.49840981  0.68821746  0.89803612
   0.65051234  0.79479219  0.60034166
   0.55871356  0.83596637  0.38004667
   0.91526719  0.23507543  0.09062331
   0.90302402  0.37271948  0.38307274
   0.28833914  0.13595751  0.64970981
   0.25041549  0.76510722  0.77755863
   0.03209045  1.14344002  0.13950596
   0.23121846  1.05747152  0.02625758
   0.62894924  0.36177396  0.85643133
   0.88273473  0.38614781  0.60759720
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961592    0.291986   -0.123470
    -0.000000    9.775920    0.095115
    -0.000000    0.000000   13.837764
   Si   O    H 
    32    64    10
Direct configuration=   723
   0.17307245  0.17624814 -0.03400927
   0.38728572  0.07669349  0.36472478
   0.14544988  0.40846649  0.11264742
   0.38273791  0.34490990  0.25247685
   0.11633679  0.15228030  0.48211844
   0.41818467  0.13930438  0.85374872
   0.12601322  0.41641536  0.61718189
   0.37174898  0.38801484  0.74819869
   0.10229616  0.67592301  0.01779891
   0.40662011  0.58467913  0.36754339
   0.06042690  0.91215301  0.15226075
   0.33031249  0.83424011  0.24207309
   0.18273324  0.66798868  0.49407957
   0.34430598  0.63748928  0.87378696
   0.07306881  0.91278865  0.61045952
   0.31665297  0.99244261  0.69245358
   0.62444701  0.15979875  1.01114102
   0.86363935  0.13420140  0.36003821
   0.61433204  0.43196678  0.11933168
   0.89088713  0.31762550  0.17526877
   0.62546108  0.17437037  0.49347819
   0.87808454  0.10381770  0.88141595
   0.58871132  0.43270171  0.60436454
   0.73983105  0.34789529  0.78744996
   0.60084280  0.68825634 -0.01285134
   0.92661500  0.60523486  0.37496244
   0.57455673  0.91464861  0.14449430
   0.82244635  0.85501746  0.26364113
   0.65470060  0.65016534  0.46128146
   0.85571971  0.59968985  0.87451783
   0.59366758  0.92582482  0.63060568
   0.83561821  0.86460017  0.75229624
   0.09384035  0.07125180  0.15747681
   0.35097380  0.18540418  0.27843994
   0.10745878  0.31530157  0.01728506
   0.34558223  0.43782609  0.34711330
   0.53240561  0.37824850  0.21477437
   0.29585935  0.38135914  0.15897443
   0.27216934  0.08651700  0.45329170
   0.01846333  0.15194872  0.39352099
   0.05546907  0.06604158  0.56777066
   0.44843130  0.24037000  0.76171095
   0.14570519  0.31305219  0.51949150
   0.34814205  0.48198885  0.84927978
   0.45857387  0.47197368  0.67899975
   0.22175468  0.35511206  0.70506573
   0.29499707  0.22593207 -0.09862191
   0.02903538  0.13232717  0.92441476
   0.11641202  0.57748709  0.10950917
   0.37634115  0.67600890  0.26897362
   0.07851774  0.83281336  0.05031014
   0.38281870  0.91293242  0.33981945
   0.40898805  0.89644499  0.15280466
   0.15996491  0.84463217  0.23476558
   0.33704772  0.66065715  0.46275621
   0.06940902  0.63201181  0.41310979
   0.15354601  0.57332459  0.59234253
   0.29532482  0.69544625  0.76922140
   0.11847512  0.82743927  0.51465533
   0.37470273  1.00002648  0.80337456
   0.42980488  0.90346564  0.62674974
   0.17792060  0.89929506  0.69883939
   0.24380885  0.67219240 -0.03877688
  -0.00587181  0.61197260  0.93342104
   0.61551383  0.07467656  0.11510963
   0.85427264  0.22242991  0.26997641
   0.58801512  0.32069945  0.03686735
   0.87648004  0.45206795  0.34402071
   0.04678863  0.36849800  0.20169238
   0.77560544  0.43515941  0.16314660
   0.77763016  0.19260781  0.44819162
   0.52960614  0.12541575  0.40679276
   0.63965552  0.06503444  0.57877779
   0.82096684  0.19098361  0.78417342
   0.56087369  0.32550144  0.51655208
   0.84909822  0.44722359  0.84100511
   0.96834918  0.41075122  0.64546007
   0.71146388  0.37810966  0.67138801
   0.77791530  0.14088208  0.97836930
   0.53930341  0.10312744  0.92291174
   0.57152485  0.58392024  0.07731668
   0.87064491  0.69909194  0.27916799
   0.60252506  0.82897944  0.04354390
   0.84095979  0.95851995  0.35070057
   0.89759624  0.90811140  0.16397498
   0.66077925  0.86803515  0.23239375
   0.81736630  0.62687822  0.46848737
   0.56659014  0.55690194  0.37846856
   0.61972460  0.58963936  0.56703142
   0.83623833  0.70429635  0.78696122
   0.62756713  0.81126491  0.43015545
   0.89083742  0.95095039  0.84315585
   0.93261922  0.86752818  0.66148053
   0.68333848  0.91034441  0.73937720
   0.74570595  0.64751341  0.95571777
   0.49825390  0.68957147  0.89744745
   0.64975218  0.80052381  0.60169294
   0.55654661  0.83563178  0.37686106
   0.90844228  0.23174185  0.09211604
   0.90513196  0.37513532  0.38287938
   0.28541582  0.12860394  0.65158649
   0.23809010  0.78508312  0.77789673
   0.03404696  1.14101408  0.14132174
   0.23117800  1.05289798  0.02442389
   0.62318026  0.36016119  0.85771515
   0.89339581  0.38950945  0.60859877
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960944    0.293016   -0.122294
    -0.000000    9.778393    0.094623
    -0.000000    0.000000   13.837542
   Si   O    H 
    32    64    10
Direct configuration=   724
   0.17181793  0.17731560 -0.03486290
   0.38660908  0.07777478  0.36497121
   0.14558760  0.40735816  0.11259748
   0.38359536  0.34322922  0.25303129
   0.11685561  0.15038465  0.48272765
   0.41826996  0.14017657  0.85436482
   0.12498763  0.41719696  0.61758747
   0.37126739  0.38628280  0.74848223
   0.10123423  0.67563889  0.01684946
   0.40589390  0.58377125  0.36648562
   0.06033009  0.91231605  0.15247739
   0.33016003  0.83498396  0.24205038
   0.18259018  0.66850811  0.49300438
   0.34385431  0.63822537  0.87305593
   0.07257961  0.91162879  0.60934755
   0.31750929  0.99303611  0.69312638
   0.62532767  0.15918057  1.01105521
   0.86418879  0.13259666  0.36041083
   0.61331280  0.43143131  0.11905853
   0.89016045  0.31653293  0.17518933
   0.62590314  0.17420810  0.49291492
   0.87796241  0.10431011  0.88125269
   0.58810918  0.43355395  0.60519407
   0.73919049  0.34667811  0.78818039
   0.59985631  0.68882689 -0.01273291
   0.92632202  0.60632108  0.37476295
   0.57512978  0.91570372  0.14389562
   0.82178226  0.85451207  0.26458354
   0.65509150  0.65081061  0.46077751
   0.85674144  0.59973954  0.87533678
   0.59520283  0.92739004  0.62960963
   0.83592811  0.86491269  0.75292256
   0.09479159  0.07112475  0.15928049
   0.35140357  0.18475317  0.27751037
   0.10649540  0.31513105  0.01807941
   0.34533414  0.43866824  0.34741900
   0.53083209  0.37951308  0.21440403
   0.29664164  0.37957733  0.16049825
   0.27268769  0.08669206  0.45246487
   0.01552664  0.15217734  0.39339137
   0.05633972  0.06565074  0.56848227
   0.44882745  0.24045322  0.76189074
   0.14625815  0.31383936  0.51966806
   0.35037491  0.48024708  0.85194457
   0.45854079  0.47203354  0.67825406
   0.22443621  0.35718170  0.70468269
   0.29433375  0.22451649 -0.09960674
   0.02748201  0.13029560  0.92412799
   0.11594136  0.57794315  0.10977265
   0.37855447  0.67570848  0.26852067
   0.07938615  0.83266278  0.04984671
   0.38369416  0.91204556  0.33808549
   0.40795276  0.89529831  0.15205594
   0.16086102  0.84756475  0.23497253
   0.33570668  0.66150614  0.46405057
   0.07028028  0.63162954  0.41245124
   0.15313951  0.57219128  0.59214214
   0.29467920  0.69426194  0.76785859
   0.12051960  0.82749890  0.51589974
   0.37404270  1.00140392  0.80277837
   0.43131543  0.90508848  0.62715804
   0.17872755  0.90032693  0.69825227
   0.24259615  0.67423638 -0.03878331
  -0.00523161  0.61299512  0.93308799
   0.61393818  0.07384656  0.11507445
   0.85254250  0.22361917  0.26910004
   0.58838546  0.32304928  0.03712690
   0.87892697  0.45196795  0.34458298
   0.04736244  0.36899801  0.20182859
   0.77510503  0.43505944  0.16368523
   0.77695057  0.19310064  0.44700386
   0.52930667  0.12572076  0.40586712
   0.63966693  0.06529706  0.57844651
   0.82031124  0.19132542  0.78472423
   0.55925851  0.32584909  0.51799498
   0.84803536  0.44733047  0.84007276
   0.96979078  0.41059179  0.64566492
   0.71079635  0.37723094  0.67168365
   0.77725949  0.14004234  0.97839382
   0.53933030  0.10081767  0.92388636
   0.57207938  0.58530527  0.07908718
   0.87133460  0.69719979  0.27913845
   0.60444280  0.82844195  0.04341261
   0.83981309  0.96073957  0.35166594
   0.89834374  0.91169333  0.16365246
   0.66171886  0.86879676  0.23385895
   0.81779766  0.62777571  0.46836434
   0.56661375  0.55732039  0.38029274
   0.61776652  0.58810924  0.56720544
   0.83441470  0.70295699  0.78694749
   0.62694832  0.81058779  0.43027677
   0.89066996  0.95156864  0.84425595
   0.93523418  0.86745096  0.66184837
   0.68273741  0.91020751  0.73975625
   0.74536722  0.64881427  0.95684063
   0.49752009  0.69088404  0.89732370
   0.64920611  0.80145314  0.60021055
   0.56075426  0.83152597  0.37873069
   0.90215437  0.22640825  0.09198047
   0.91110753  0.37855066  0.38414853
   0.27842038  0.12034260  0.65182169
   0.23152281  0.79518579  0.77619356
   0.02642048  1.14886652  0.13955641
   0.23072406  1.05569083  0.02143175
   0.61724620  0.35642077  0.85568409
   0.89521194  0.39148483  0.60460090
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960259    0.294346   -0.121094
    -0.000000    9.781307    0.093786
    -0.000000    0.000000   13.837875
   Si   O    H 
    32    64    10
Direct configuration=   725
   0.17063263  0.17849909 -0.03528063
   0.38616680  0.07879299  0.36557793
   0.14541281  0.40630413  0.11232316
   0.38413545  0.34187083  0.25355608
   0.11802455  0.14911166  0.48341600
   0.41833641  0.14169286  0.85424015
   0.12397404  0.41771207  0.61762955
   0.37042976  0.38508907  0.74916417
   0.10024842  0.67592650  0.01556762
   0.40589188  0.58273011  0.36574032
   0.06049831  0.91292201  0.15282478
   0.33040640  0.83532489  0.24135862
   0.18286294  0.66845914  0.49197581
   0.34390054  0.63887138  0.87222535
   0.07174091  0.91012785  0.60840545
   0.31832647  0.99265247  0.69382053
   0.62633613  0.15856432  1.01112964
   0.86412847  0.13070650  0.36092964
   0.61224974  0.43140597  0.11912144
   0.88941562  0.31551267  0.17527267
   0.62635194  0.17417982  0.49232160
   0.87742632  0.10557859  0.88148896
   0.58800419  0.43437056  0.60567660
   0.73849940  0.34543142  0.78888283
   0.59886371  0.68854606 -0.01272763
   0.92549143  0.60740045  0.37487577
   0.57588661  0.91673554  0.14286923
   0.82133397  0.85392450  0.26507055
   0.65479244  0.65135193  0.46014801
   0.85730996  0.59988230  0.87616710
   0.59614683  0.92864941  0.62891411
   0.83630479  0.86530821  0.75384726
   0.09512787  0.07244024  0.16113260
   0.35163055  0.18384017  0.27629161
   0.10648314  0.31470360  0.01870974
   0.34407727  0.43916161  0.34704305
   0.52990751  0.37963084  0.21430642
   0.29653850  0.37820457  0.16091689
   0.27163842  0.08746781  0.45190975
   0.01315280  0.15233127  0.39313035
   0.05632008  0.06542337  0.56990180
   0.44935643  0.24021891  0.76199844
   0.14692234  0.31403782  0.51964744
   0.35237704  0.47758029  0.85403525
   0.45871483  0.47246722  0.67704884
   0.22641426  0.35809352  0.70495782
   0.29311545  0.22183772 -0.10040089
   0.02563609  0.12802102  0.92338838
   0.11566390  0.57804324  0.11029619
   0.38035467  0.67562541  0.26777644
   0.08049395  0.83164714  0.04923118
   0.38493738  0.91189396  0.33657646
   0.40767028  0.89341659  0.15138969
   0.16196710  0.85037708  0.23547434
   0.33446557  0.66187935  0.46439677
   0.07125149  0.63007702  0.41211946
   0.15299546  0.57121397  0.59176338
   0.29393717  0.69378977  0.76703512
   0.12295094  0.82704819  0.51719046
   0.37311199  1.00210428  0.80276494
   0.43216268  0.90639004  0.62728631
   0.17918906  0.90156383  0.69758864
   0.24177397  0.67610815 -0.03887728
  -0.00423158  0.61421332  0.93299616
   0.61213622  0.07268984  0.11503943
   0.85055464  0.22508915  0.26767025
   0.58843420  0.32479192  0.03701700
   0.88141035  0.45192804  0.34490753
   0.04781771  0.36881569  0.20136966
   0.77407191  0.43456726  0.16345559
   0.77544633  0.19365101  0.44569589
   0.52854675  0.12543678  0.40493719
   0.63949038  0.06570964  0.57838747
   0.81917490  0.19237182  0.78565757
   0.55713207  0.32603871  0.51894523
   0.84750479  0.44675257  0.83885917
   0.97113752  0.41158189  0.64596591
   0.71066166  0.37625883  0.67228797
   0.77813067  0.13946716  0.97804542
   0.53888659  0.09823403  0.92464586
   0.57260373  0.58590978  0.08044462
   0.87234540  0.69497677  0.27997290
   0.60642798  0.82828358  0.04402645
   0.83951938  0.96285825  0.35261030
   0.89838723  0.91442055  0.16353114
   0.66290933  0.86845005  0.23571594
   0.81881704  0.62923520  0.46768103
   0.56651776  0.55818069  0.38186835
   0.61651309  0.58663879  0.56692489
   0.83233348  0.70119085  0.78726328
   0.62593478  0.80955004  0.42998335
   0.88970196  0.95144983  0.84560728
   0.93748729  0.86689824  0.66153134
   0.68231987  0.90976168  0.73971887
   0.74528381  0.64943190  0.95746924
   0.49642082  0.69199615  0.89704612
   0.64648390  0.79911297  0.59659847
   0.56506675  0.82656601  0.37949678
   0.89562964  0.22374230  0.09167185
   0.91731551  0.38092600  0.38700905
   0.27388401  0.11849939  0.65270807
   0.23446004  0.79166719  0.77366993
   0.02866908  1.14777058  0.13934893
   0.22994859  1.05758426  0.01814433
   0.61680821  0.35398421  0.85293996
   0.89318236  0.39243747  0.59932677
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959514    0.295471   -0.120103
    -0.000000    9.784640    0.091883
    -0.000000    0.000000   13.837975
   Si   O    H 
    32    64    10
Direct configuration=   726
   0.16953578  0.17910879 -0.03553274
   0.38540180  0.07976759  0.36563512
   0.14578009  0.40579609  0.11198522
   0.38418820  0.34053959  0.25426717
   0.11904077  0.14769635  0.48382791
   0.41845888  0.14229082  0.85421264
   0.12307039  0.41826884  0.61753260
   0.36974648  0.38468426  0.75005174
   0.09954248  0.67584593  0.01448848
   0.40582100  0.58234401  0.36492740
   0.05999779  0.91346559  0.15305339
   0.33012315  0.83531859  0.24058793
   0.18270170  0.66797700  0.49130334
   0.34329749  0.63931368  0.87123974
   0.07095426  0.90867616  0.60726070
   0.31904946  0.99159941  0.69487155
   0.62659451  0.15719742  1.01097434
   0.86369104  0.12916634  0.36123370
   0.61232445  0.43165815  0.11983834
   0.88919579  0.31482066  0.17541482
   0.62690190  0.17408377  0.49195974
   0.87625502  0.10654431  0.88194991
   0.58812062  0.43468995  0.60614306
   0.73746342  0.34436915  0.78973020
   0.59770127  0.68861590 -0.01255831
   0.92508775  0.60822918  0.37480395
   0.57673793  0.91772121  0.14165027
   0.82114489  0.85354853  0.26534789
   0.65412504  0.65171631  0.45955523
   0.85717061  0.60081253  0.87700065
   0.59750077  0.92924987  0.62868983
   0.83652999  0.86537294  0.75443442
   0.09565695  0.07400043  0.16276158
   0.35170891  0.18272866  0.27524137
   0.10696825  0.31464915  0.01919583
   0.34322871  0.43966892  0.34613999
   0.53025003  0.38012418  0.21417872
   0.29618093  0.37788007  0.16175098
   0.27080272  0.08859867  0.45177396
   0.01172357  0.15280689  0.39307690
   0.05591072  0.06535914  0.57141559
   0.45065396  0.24008016  0.76157386
   0.14748766  0.31489568  0.51968436
   0.35381192  0.47460537  0.85628723
   0.45912578  0.47327774  0.67532953
   0.22774835  0.35836478  0.70481121
   0.29207580  0.21902532 -0.10054102
   0.02405074  0.12645290  0.92299286
   0.11452612  0.57732148  0.11121401
   0.38213417  0.67596696  0.26671336
   0.08135799  0.83171985  0.04856533
   0.38658070  0.91129324  0.33506751
   0.40800226  0.89246194  0.15007969
   0.16345250  0.85270205  0.23610458
   0.33391848  0.66237673  0.46454590
   0.07329278  0.62794428  0.41175741
   0.15348166  0.57085877  0.59081508
   0.29271861  0.69398860  0.76678651
   0.12505311  0.82510657  0.51841393
   0.37191705  1.00320157  0.80260733
   0.43280416  0.90789350  0.62801575
   0.18043708  0.90312677  0.69734485
   0.24112052  0.67803585 -0.03860762
  -0.00217929  0.61571031  0.93283175
   0.60973811  0.07140076  0.11460657
   0.84866433  0.22550751  0.26581208
   0.58804801  0.32652008  0.03664242
   0.88425904  0.45166534  0.34466244
   0.04706966  0.36797021  0.20111521
   0.77199820  0.43316885  0.16298075
   0.77447852  0.19495061  0.44422549
   0.52854232  0.12519985  0.40447025
   0.64018456  0.06604062  0.57873032
   0.81724946  0.19283819  0.78702718
   0.55477754  0.32573966  0.51997627
   0.84701397  0.44640308  0.83810105
   0.97170130  0.41269639  0.64649289
   0.71003571  0.37412786  0.67315886
   0.77918667  0.13939808  0.97717050
   0.53830583  0.09603170  0.92584489
   0.57275169  0.58707092  0.08139739
   0.87340591  0.69387426  0.28098306
   0.60805516  0.82851969  0.04491887
   0.83886533  0.96521918  0.35328333
   0.89775962  0.91709409  0.16377425
   0.66426501  0.86689246  0.23771653
   0.81984895  0.63071176  0.46651414
   0.56715518  0.55948825  0.38324905
   0.61629071  0.58444183  0.56639745
   0.83091586  0.70065293  0.78747806
   0.62488983  0.80903579  0.42978402
   0.88865806  0.95080130  0.84707216
   0.93940437  0.86547609  0.66095705
   0.68131802  0.90996189  0.73906881
   0.74645126  0.65020894  0.95771031
   0.49554359  0.69283969  0.89671766
   0.64335337  0.79824407  0.59258065
   0.56123129  0.82480760  0.37411065
   0.89080542  0.22409639  0.09239130
   0.92531655  0.38568418  0.39125970
   0.27349053  0.12107776  0.65269538
   0.24554339  0.77441089  0.76998929
   0.03146893  1.13667659  0.14072132
   0.22637183  1.06138794  0.01564501
   0.61613094  0.35227513  0.84983222
   0.89703599  0.39662779  0.59838306
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958993    0.296088   -0.119091
    -0.000000    9.787731    0.089875
    -0.000000    0.000000   13.838225
   Si   O    H 
    32    64    10
Direct configuration=   727
   0.16782224  0.18020450 -0.03615421
   0.38442065  0.08049229  0.36560689
   0.14645691  0.40572303  0.11163293
   0.38400817  0.33880540  0.25484908
   0.12038982  0.14668961  0.48406434
   0.41813260  0.14251848  0.85368744
   0.12216716  0.41876989  0.61747639
   0.36940271  0.38472332  0.75105504
   0.09837241  0.67580237  0.01372485
   0.40543665  0.58232253  0.36435798
   0.05939509  0.91362953  0.15272253
   0.32948082  0.83478965  0.23976859
   0.18266239  0.66709141  0.49109293
   0.34236086  0.63944596  0.87071072
   0.07037159  0.90760935  0.60633214
   0.32026613  0.98977801  0.69557913
   0.62645979  0.15626808  1.01086283
   0.86353740  0.12769433  0.36082381
   0.61319166  0.43196124  0.12077824
   0.88857662  0.31437310  0.17566009
   0.62777334  0.17411500  0.49139862
   0.87509434  0.10768446  0.88262583
   0.58840595  0.43425512  0.60641865
   0.73697301  0.34301152  0.79094647
   0.59651907  0.68851107 -0.01252867
   0.92415919  0.60851938  0.37494559
   0.57704022  0.91798146  0.14083021
   0.82081185  0.85314772  0.26572340
   0.65318412  0.65152164  0.45912300
   0.85672458  0.60212845  0.87766418
   0.59951381  0.92947184  0.62872118
   0.83708840  0.86473156  0.75457626
   0.09663315  0.07579649  0.16380054
   0.35205742  0.18099565  0.27452349
   0.10684522  0.31487763  0.01971037
   0.34167070  0.43946684  0.34496109
   0.53054047  0.38020611  0.21471084
   0.29541288  0.37803409  0.16200711
   0.27033215  0.08982158  0.45182013
   0.01134296  0.15310470  0.39363216
   0.05558276  0.06466568  0.57302150
   0.45287556  0.24074433  0.76087835
   0.14756828  0.31501818  0.51954962
   0.35452269  0.47155941  0.85832792
   0.45915678  0.47345576  0.67321489
   0.22784313  0.35775215  0.70372797
   0.29105191  0.21708144 -0.10025030
   0.02280000  0.12572144  0.92311862
   0.11285880  0.57624187  0.11129396
   0.38413921  0.67697666  0.26592112
   0.08177178  0.83222520  0.04855604
   0.38752623  0.91184135  0.33426946
   0.40869109  0.89239627  0.14863896
   0.16532451  0.85521775  0.23646445
   0.33373393  0.66286862  0.46391280
   0.07551198  0.62598987  0.41060619
   0.15301661  0.57116588  0.58967072
   0.29220615  0.69349603  0.76709432
   0.12711659  0.82171588  0.51921558
   0.37023297  1.00420008  0.80214026
   0.43364032  0.90939071  0.62891836
   0.18187877  0.90435211  0.69728277
   0.24141482  0.67907766 -0.03874562
  -0.00012897  0.61716350  0.93288791
   0.60727280  0.07155159  0.11368908
   0.84662761  0.22490978  0.26419180
   0.58818681  0.32740135  0.03590098
   0.88769593  0.45124270  0.34456377
   0.04524283  0.36649215  0.20075035
   0.76994489  0.43096814  0.16171378
   0.77253681  0.19586738  0.44264863
   0.52756390  0.12494717  0.40370101
   0.64099703  0.06642986  0.57897968
   0.81649235  0.19248681  0.78834763
   0.55276442  0.32507992  0.52109222
   0.84592867  0.44583228  0.83749291
   0.97148596  0.41364945  0.64626421
   0.70949066  0.37139632  0.67413854
   0.78017920  0.13917634  0.97640698
   0.53795978  0.09405807  0.92659178
   0.57301222  0.58712915  0.08243489
   0.87425799  0.69416737  0.28199098
   0.60914570  0.82909088  0.04551665
   0.83853241  0.96729673  0.35372312
   0.89748369  0.91923262  0.16490810
   0.66501612  0.86507470  0.23908741
   0.82055820  0.63123807  0.46506601
   0.56728545  0.56016223  0.38444362
   0.61710494  0.58236835  0.56542808
   0.82996851  0.70136337  0.78662800
   0.62364464  0.80879767  0.42953756
   0.88779951  0.95000958  0.84839126
   0.94064024  0.86447653  0.66038310
   0.68022920  0.91064792  0.73840702
   0.74758326  0.65095770  0.95751624
   0.49519927  0.69411856  0.89625107
   0.63993227  0.79794072  0.58822995
   0.55883917  0.82910609  0.37242400
   0.88945272  0.22442441  0.09184953
   0.93450491  0.39380291  0.39559850
   0.27392427  0.12094031  0.65376496
   0.24148466  0.76977208  0.76927238
   0.02383648  1.13869000  0.13507776
   0.22397623  1.06502508  0.01307012
   0.61309464  0.35018510  0.84674669
   0.90162184  0.40125118  0.60104123
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958288    0.296834   -0.117278
    -0.000000    9.791489    0.087845
    -0.000000    0.000000   13.838632
   Si   O    H 
    32    64    10
Direct configuration=   728
   0.16553375  0.18159475 -0.03629309
   0.38389151  0.08049916  0.36493630
   0.14713395  0.40616825  0.11219139
   0.38381537  0.33783938  0.25535271
   0.12234498  0.14566633  0.48370229
   0.41757034  0.14214108  0.85350821
   0.12172896  0.41912720  0.61728545
   0.36869027  0.38500605  0.75208985
   0.09744719  0.67521643  0.01296288
   0.40531182  0.58283738  0.36381053
   0.05908544  0.91343071  0.15262410
   0.32912566  0.83395492  0.23888358
   0.18221626  0.66665630  0.49126292
   0.34199869  0.64019758  0.87090446
   0.06996202  0.90720683  0.60589025
   0.32127418  0.98817729  0.69611623
   0.62679815  0.15552367  1.01126877
   0.86337562  0.12690408  0.36003405
   0.61381127  0.43269473  0.12140255
   0.88793392  0.31392586  0.17580424
   0.62822600  0.17499970  0.49111118
   0.87398282  0.10870871  0.88316757
   0.58862054  0.43396183  0.60642995
   0.73712978  0.34204380  0.79183827
   0.59493084  0.68839866 -0.01209920
   0.92288991  0.60907362  0.37483119
   0.57674298  0.91748933  0.14040763
   0.82068655  0.85312572  0.26588658
   0.65255539  0.65146581  0.45872972
   0.85629584  0.60306395  0.87849356
   0.60146761  0.92902798  0.62898893
   0.83776320  0.86385077  0.75489603
   0.09740182  0.07756459  0.16453757
   0.35283327  0.17863839  0.27367321
   0.10745762  0.31454166  0.02043293
   0.34058786  0.43891041  0.34362199
   0.53111370  0.38092527  0.21517943
   0.29467934  0.37830293  0.16205344
   0.27021087  0.09120694  0.45258255
   0.01144143  0.15341174  0.39414049
   0.05564107  0.06478486  0.57480185
   0.45509702  0.24053551  0.76029562
   0.14690873  0.31542221  0.51955845
   0.35475355  0.46958226  0.86005903
   0.45928609  0.47449721  0.67179874
   0.22758435  0.35728421  0.70225970
   0.29108883  0.21631960 -0.09954036
   0.02246345  0.12557440  0.92327711
   0.11102642  0.57570752  0.11065260
   0.38716569  0.67825580  0.26548217
   0.08283672  0.83330597  0.04897202
   0.38798357  0.91296758  0.33300629
   0.40926500  0.89242037  0.14702138
   0.16756195  0.85628831  0.23686061
   0.33455135  0.66356867  0.46306762
   0.07676499  0.62401967  0.40909812
   0.15273202  0.57186644  0.58851098
   0.29347127  0.69286122  0.76747132
   0.13034334  0.81858496  0.51940129
   0.36960354  1.00462743  0.80220961
   0.43462986  0.91126372  0.62979949
   0.18281846  0.90429996  0.69769940
   0.24220090  0.67973276 -0.03929825
   0.00150158  0.61816719  0.93304228
   0.60565588  0.07150858  0.11323500
   0.84457571  0.22383786  0.26259402
   0.58913417  0.32671565  0.03484131
   0.89192604  0.45022578  0.34536794
   0.04398856  0.36421228  0.19937251
   0.76723945  0.42912158  0.16029775
   0.77069108  0.19702875  0.44158966
   0.52649302  0.12505133  0.40266808
   0.64200967  0.06754295  0.57930513
   0.81516348  0.19202777  0.78964704
   0.55149008  0.32454950  0.52235147
   0.84593781  0.44541725  0.83715951
   0.97119758  0.41397971  0.64665419
   0.70899984  0.36958229  0.67498388
   0.78101303  0.13877456  0.97595704
   0.53795406  0.09261552  0.92719384
   0.57374551  0.58728868  0.08380852
   0.87526061  0.69510405  0.28261140
   0.61037248  0.82911308  0.04555573
   0.83825375  0.96896426  0.35397446
   0.89758280  0.92081037  0.16637665
   0.66475423  0.86325095  0.23992168
   0.82125274  0.63158926  0.46404381
   0.56736024  0.56010178  0.38488200
   0.61765313  0.58176731  0.56408854
   0.82945672  0.70168335  0.78592302
   0.62263450  0.80878509  0.42910060
   0.88680386  0.94995108  0.84983042
   0.94054184  0.86411154  0.65986488
   0.67901853  0.91160106  0.73739930
   0.74882254  0.65115641  0.95748533
   0.49519095  0.69428520  0.89613687
   0.63517897  0.79917159  0.58496066
   0.56211580  0.83418076  0.37568194
   0.89034293  0.22013196  0.09155932
   0.94263769  0.40199654  0.39463478
   0.27581067  0.12191265  0.65357824
   0.22223713  0.78379292  0.76623921
   0.01879944  1.13903237  0.13088830
   0.22020491  1.06516700  0.01527792
   0.60832558  0.35057806  0.84433627
   0.90229185  0.40536539  0.59939109
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957431    0.297789   -0.115000
    -0.000000    9.795165    0.085610
    -0.000000    0.000000   13.839202
   Si   O    H 
    32    64    10
Direct configuration=   729
   0.16281797  0.18272455 -0.03681683
   0.38334466  0.08054456  0.36448426
   0.14754889  0.40649633  0.11305112
   0.38354544  0.33686249  0.25574698
   0.12402538  0.14556541  0.48321296
   0.41739014  0.14237847  0.85335084
   0.12136999  0.41811416  0.61678622
   0.36799910  0.38602329  0.75309493
   0.09652722  0.67450352  0.01210517
   0.40482615  0.58325843  0.36309934
   0.05910056  0.91421976  0.15223649
   0.32895645  0.83317508  0.23776802
   0.18141444  0.66622210  0.49154127
   0.34196542  0.64017050  0.87128806
   0.07053544  0.90765395  0.60566749
   0.32266414  0.98728499  0.69620485
   0.62652335  0.15514905  1.01164897
   0.86314891  0.12620014  0.35899394
   0.61408485  0.43331036  0.12163372
   0.88794221  0.31376342  0.17567640
   0.62885170  0.17549899  0.49103930
   0.87349486  0.10901283  0.88353014
   0.58880872  0.43400402  0.60648776
   0.73762544  0.34061392  0.79236755
   0.59360136  0.68793229 -0.01128011
   0.92178243  0.60913750  0.37454677
   0.57650433  0.91635467  0.13991398
   0.82124229  0.85298900  0.26612938
   0.65196390  0.65111252  0.45869547
   0.85550574  0.60389380  0.87974796
   0.60286404  0.92815238  0.62951474
   0.83828788  0.86237973  0.75492189
   0.09755177  0.07959629  0.16572786
   0.35327604  0.17631641  0.27323198
   0.10758477  0.31421679  0.02137954
   0.33995158  0.43913992  0.34250877
   0.53158236  0.38127163  0.21609863
   0.29325243  0.37835204  0.16172642
   0.26977564  0.09255944  0.45340603
   0.01297470  0.15428527  0.39485580
   0.05576594  0.06472470  0.57656298
   0.45719903  0.24052517  0.75977974
   0.14603652  0.31609535  0.51980103
   0.35557007  0.46748949  0.86158487
   0.45876733  0.47491031  0.67091420
   0.22663748  0.35787897  0.70091930
   0.29112940  0.21545627 -0.09949782
   0.02322022  0.12585952  0.92367668
   0.10919550  0.57506327  0.10944207
   0.38997757  0.67871469  0.26507121
   0.08414993  0.83437248  0.04968659
   0.38822437  0.91449447  0.33177495
   0.41089911  0.89314094  0.14582977
   0.16904789  0.85777775  0.23729327
   0.33560496  0.66372211  0.46216986
   0.07765908  0.62253843  0.40719619
   0.15249928  0.57260654  0.58751372
   0.29433017  0.69349024  0.76818780
   0.13364311  0.81603719  0.51942454
   0.36998093  1.00450144  0.80347478
   0.43560991  0.91319951  0.63074049
   0.18382285  0.90460226  0.69814761
   0.24373286  0.68065207 -0.03974601
   0.00267409  0.61861208  0.93326139
   0.60456650  0.07118411  0.11296695
   0.84288024  0.22145324  0.26131883
   0.59029385  0.32457975  0.03339206
   0.89486084  0.44949118  0.34565708
   0.04219990  0.36156299  0.19781417
   0.76518533  0.42838528  0.15875697
   0.76941872  0.19777288  0.44094249
   0.52605498  0.12479787  0.40169066
   0.64267149  0.06891401  0.57945989
   0.81384487  0.19168366  0.79080953
   0.55022046  0.32396844  0.52348239
   0.84555463  0.44580038  0.83678482
   0.97030541  0.41451429  0.64768202
   0.70909571  0.36728780  0.67555036
   0.78198249  0.13821700  0.97558846
   0.53839833  0.09130233  0.92769198
   0.57362504  0.58788666  0.08473392
   0.87613295  0.69646824  0.28279915
   0.61162785  0.82859638  0.04527039
   0.83803908  0.97013781  0.35422808
   0.89763843  0.92166686  0.16832104
   0.66376068  0.86146884  0.24007520
   0.82192063  0.63197482  0.46284507
   0.56727465  0.55953983  0.38525211
   0.61785653  0.58182740  0.56267432
   0.82964281  0.70162392  0.78526180
   0.62204180  0.80881453  0.42876887
   0.88598571  0.94944709  0.85078126
   0.93967898  0.86413598  0.65941718
   0.67892268  0.91259636  0.73609816
   0.75026964  0.65193793  0.95711882
   0.49463702  0.69406244  0.89555410
   0.63546040  0.80345021  0.58455887
   0.56645103  0.83919757  0.37868769
   0.89047652  0.21434227  0.09170165
   0.94851035  0.40312895  0.39174773
   0.27825146  0.12380366  0.65497779
   0.21041233  0.78479073  0.76365367
   0.02240211  1.13498947  0.12983542
   0.21546706  1.06536927  0.01647613
   0.60915335  0.35336491  0.84327964
   0.89515122  0.40573912  0.59640351
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956660    0.298800   -0.112530
    -0.000000    9.798417    0.083281
    -0.000000    0.000000   13.839765
   Si   O    H 
    32    64    10
Direct configuration=   730
   0.16067957  0.18299216 -0.03765182
   0.38310152  0.08080931  0.36438419
   0.14780930  0.40701945  0.11378271
   0.38310532  0.33656129  0.25563324
   0.12516599  0.14608858  0.48289376
   0.41725113  0.14327180  0.85338766
   0.12109353  0.41711639  0.61638253
   0.36761661  0.38749391  0.75394208
   0.09633955  0.67500239  0.01143588
   0.40489363  0.58407609  0.36301622
   0.05935220  0.91484833  0.15191502
   0.32832607  0.83222986  0.23682740
   0.18071403  0.66601120  0.49164381
   0.34255250  0.64026231  0.87111147
   0.07064326  0.90817364  0.60542968
   0.32369098  0.98633833  0.69585869
   0.62615113  0.15552983  1.01210912
   0.86325814  0.12519731  0.35760354
   0.61407025  0.43444043  0.12188389
   0.88778435  0.31328391  0.17498494
   0.62933756  0.17618294  0.49053835
   0.87279373  0.10921682  0.88432363
   0.58874724  0.43405686  0.60652512
   0.73877685  0.33979888  0.79281617
   0.59297533  0.68749313 -0.01058281
   0.91993314  0.60961833  0.37469974
   0.57633674  0.91488616  0.13939248
   0.82205825  0.85336740  0.26648117
   0.65224460  0.65122254  0.45872123
   0.85550205  0.60455240  0.88051880
   0.60365171  0.92723138  0.63038680
   0.83823250  0.86139143  0.75480237
   0.09689386  0.08216123  0.16679762
   0.35406086  0.17470337  0.27254703
   0.10708916  0.31400259  0.02227309
   0.33963925  0.43894545  0.34163513
   0.53149893  0.38183300  0.21706915
   0.29259256  0.37796033  0.16123113
   0.26935846  0.09348039  0.45442927
   0.01534541  0.15406464  0.39504581
   0.05653570  0.06441905  0.57836035
   0.45846889  0.24087017  0.76022514
   0.14544164  0.31610453  0.52030058
   0.35546603  0.46494220  0.86247164
   0.45812845  0.47422981  0.67107462
   0.22513598  0.35760311  0.70035471
   0.29057568  0.21520545 -0.09975605
   0.02474268  0.12615788  0.92370828
   0.10763167  0.57442418  0.10839955
   0.39213836  0.67922573  0.26459009
   0.08596010  0.83536952  0.05042359
   0.38888928  0.91616242  0.33124254
   0.41296476  0.89314192  0.14442591
   0.17020030  0.85982627  0.23776507
   0.33622201  0.66299214  0.46049622
   0.07795101  0.62126465  0.40528054
   0.15205971  0.57350286  0.58615949
   0.29396025  0.69428804  0.76883748
   0.13695556  0.81445403  0.51918330
   0.37012343  1.00452230  0.80526356
   0.43705872  0.91530821  0.63141462
   0.18429466  0.90366523  0.69840170
   0.24469402  0.68107545 -0.03986360
   0.00369765  0.61878226  0.93292870
   0.60348354  0.07181611  0.11248394
   0.84077719  0.21859483  0.26046260
   0.59103111  0.32120908  0.03248020
   0.89751251  0.44959082  0.34551343
   0.04035310  0.35892904  0.19634901
   0.76428598  0.42620331  0.15715353
   0.76757494  0.19811259  0.44036100
   0.52634943  0.12456738  0.40125241
   0.64385517  0.06992625  0.57997966
   0.81268950  0.19198492  0.79112627
   0.54910285  0.32354201  0.52450997
   0.84500213  0.44624652  0.83675364
   0.96822636  0.41547985  0.64832548
   0.70948554  0.36456832  0.67597389
   0.78233376  0.13834781  0.97519837
   0.53859624  0.09107991  0.92787809
   0.57308183  0.58810153  0.08519361
   0.87757130  0.69776180  0.28293179
   0.61261215  0.82828985  0.04459000
   0.83791064  0.97054319  0.35471936
   0.89775192  0.92127297  0.17057236
   0.66211465  0.85944579  0.23946226
   0.82214680  0.63228855  0.46227448
   0.56704916  0.55963250  0.38494200
   0.61855373  0.58205619  0.56100401
   0.82982729  0.70121924  0.78516778
   0.62093911  0.80868952  0.42881667
   0.88527287  0.94808557  0.85172749
   0.93832704  0.86469410  0.65921918
   0.67842949  0.91376243  0.73461551
   0.75177861  0.65304505  0.95693736
   0.49437750  0.69442684  0.89464749
   0.63428310  0.80679437  0.58494445
   0.56177191  0.85129199  0.37286125
   0.89294822  0.21013015  0.09404036
   0.95671214  0.40017271  0.39255578
   0.28542684  0.12260008  0.65494642
   0.20792471  0.77533315  0.76311207
   0.02956210  1.12499417  0.13192622
   0.21113690  1.06396885  0.01883179
   0.61441456  0.35227418  0.84296422
   0.89140367  0.40762901  0.59923084
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956471    0.299700   -0.110360
    -0.000000    9.801732    0.081581
    -0.000000    0.000000   13.839820
   Si   O    H 
    32    64    10
Direct configuration=   731
   0.15888008  0.18286614 -0.03867686
   0.38264930  0.08074908  0.36483343
   0.14765323  0.40743008  0.11446088
   0.38229140  0.33632317  0.25520282
   0.12562944  0.14694497  0.48295159
   0.41762060  0.14415392  0.85363892
   0.12110712  0.41653126  0.61567892
   0.36726537  0.38959023  0.75483902
   0.09597690  0.67554079  0.01105814
   0.40518009  0.58495375  0.36273316
   0.05911070  0.91514701  0.15122216
   0.32806197  0.83143556  0.23636576
   0.17986804  0.66591941  0.49137282
   0.34336871  0.64049403  0.87166264
   0.07135304  0.90861596  0.60534880
   0.32529871  0.98567850  0.69525132
   0.62573558  0.15595981  1.01274182
   0.86380250  0.12432190  0.35628049
   0.61388657  0.43512219  0.12214955
   0.88773332  0.31309069  0.17451187
   0.62978912  0.17630701  0.49015107
   0.87205016  0.10876925  0.88452823
   0.58873692  0.43416446  0.60707686
   0.73987556  0.33897732  0.79302887
   0.59285816  0.68662252 -0.00996716
   0.91829112  0.61021641  0.37493884
   0.57631896  0.91348427  0.13918976
   0.82227601  0.85484153  0.26653946
   0.65282458  0.65157600  0.45894298
   0.85606008  0.60469997  0.88116768
   0.60450791  0.92649646  0.63148806
   0.83832480  0.86104982  0.75458119
   0.09630481  0.08332031  0.16767035
   0.35510651  0.17342113  0.27277288
   0.10775142  0.31403774  0.02304839
   0.33942708  0.43753704  0.34032540
   0.53225164  0.38308834  0.21813539
   0.29179597  0.37768677  0.16094089
   0.26894398  0.09448673  0.45488572
   0.01844555  0.15347336  0.39497330
   0.05766057  0.06548205  0.57970601
   0.45886562  0.24095648  0.76152169
   0.14374914  0.31567288  0.52046334
   0.35487490  0.46280092  0.86342204
   0.45692330  0.47347740  0.67106159
   0.22382094  0.35769184  0.69946988
   0.28938783  0.21466869 -0.10025662
   0.02581289  0.12647095  0.92310967
   0.10605467  0.57373341  0.10728332
   0.39450668  0.67944262  0.26449874
   0.08776293  0.83574068  0.05077408
   0.38909537  0.91801566  0.33107653
   0.41559518  0.89258181  0.14354108
   0.17034740  0.86138622  0.23765297
   0.33717137  0.66172673  0.45876170
   0.07789916  0.62084072  0.40360932
   0.15242144  0.57415935  0.58485330
   0.29293236  0.69522046  0.76939056
   0.13957936  0.81400995  0.51892222
   0.37044693  1.00455878  0.80685955
   0.43896605  0.91749759  0.63226326
   0.18469941  0.90352587  0.69905770
   0.24577425  0.68168676 -0.03977612
   0.00413333  0.61823141  0.93262924
   0.60208466  0.07267080  0.11158707
   0.83852212  0.21575403  0.26060561
   0.59165176  0.31755976  0.03198321
   0.89948151  0.44866628  0.34574769
   0.03908258  0.35656204  0.19471776
   0.76376646  0.42500166  0.15606222
   0.76699558  0.19800157  0.43949464
   0.52723515  0.12419710  0.40076318
   0.64543278  0.07156238  0.57995305
   0.81151537  0.19226976  0.79132478
   0.54845741  0.32280987  0.52530565
   0.84448638  0.44684562  0.83742807
   0.96490887  0.41622496  0.64903603
   0.71015690  0.36207050  0.67697191
   0.78154029  0.13962415  0.97530883
   0.53747728  0.09127976  0.92738825
   0.57332232  0.58843679  0.08560834
   0.87897186  0.69983683  0.28316373
   0.61341981  0.82796390  0.04394598
   0.83755666  0.96987944  0.35464673
   0.89730086  0.91906943  0.17263124
   0.66040718  0.85790133  0.23849505
   0.82176165  0.63297359  0.46199713
   0.56646295  0.55943181  0.38450329
   0.61843162  0.58217075  0.55943102
   0.83032589  0.70092353  0.78492704
   0.62016308  0.80850719  0.42935083
   0.88425773  0.94707855  0.85163607
   0.93711047  0.86518785  0.65935263
   0.67841694  0.91510942  0.73368407
   0.75230979  0.65397413  0.95706515
   0.49383187  0.69544058  0.89462316
   0.63978004  0.80249794  0.58458916
   0.55964441  0.85805310  0.37302402
   0.89469435  0.20872121  0.09658503
   0.96253282  0.39605624  0.39048856
   0.29023692  0.12341856  0.65749738
   0.21681957  0.75870205  0.76323077
   0.02338798  1.13269927  0.12767057
   0.20964276  1.06371350  0.02198086
   0.61762814  0.35380328  0.84596514
   0.89154867  0.40860225  0.60594985
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956310    0.300449   -0.108806
    -0.000000    9.805424    0.080058
    -0.000000    0.000000   13.839916
   Si   O    H 
    32    64    10
Direct configuration=   732
   0.15729251  0.18325302 -0.03920842
   0.38285825  0.08045530  0.36554119
   0.14691273  0.40814075  0.11512739
   0.38155139  0.33610127  0.25455275
   0.12584270  0.14838433  0.48356217
   0.41828765  0.14500491  0.85393727
   0.12103394  0.41550285  0.61493336
   0.36740264  0.39099090  0.75579819
   0.09636913  0.67617303  0.01094256
   0.40586249  0.58534807  0.36281226
   0.05894774  0.91557641  0.15064006
   0.32869446  0.83051531  0.23561034
   0.17908464  0.66476206  0.49102949
   0.34300117  0.64041568  0.87256862
   0.07220162  0.90876534  0.60566874
   0.32599569  0.98475510  0.69494897
   0.62567490  0.15680999  1.01317501
   0.86445660  0.12395485  0.35506819
   0.61316079  0.43556337  0.12215604
   0.88745704  0.31249758  0.17385631
   0.63042062  0.17665341  0.48963445
   0.87251058  0.10849271  0.88523407
   0.58905109  0.43396761  0.60740027
   0.74103888  0.33872556  0.79324351
   0.59332827  0.68564386 -0.00939760
   0.91750069  0.60997608  0.37515189
   0.57643352  0.91168540  0.13906793
   0.82196561  0.85627546  0.26616973
   0.65298200  0.65172396  0.45930450
   0.85669053  0.60477271  0.88131261
   0.60491360  0.92643621  0.63219550
   0.83847922  0.86066924  0.75446126
   0.09547104  0.08343993  0.16773179
   0.35542232  0.17270403  0.27344878
   0.10848219  0.31469809  0.02414219
   0.33866596  0.43674016  0.33915850
   0.53270644  0.38276937  0.21899410
   0.29088909  0.37716633  0.16016846
   0.26949710  0.09478211  0.45522447
   0.02088918  0.15213978  0.39411007
   0.05856313  0.06709166  0.58036853
   0.45954789  0.24246713  0.76280201
   0.14268313  0.31528944  0.52073046
   0.35491982  0.46149555  0.86359321
   0.45587874  0.47282574  0.67084984
   0.22285459  0.35809306  0.69943252
   0.28847231  0.21454692 -0.10101301
   0.02667795  0.12714741  0.92199044
   0.10468518  0.57247717  0.10567169
   0.39647569  0.67857580  0.26432011
   0.08945465  0.83622227  0.05077468
   0.38909703  0.92061815  0.33094574
   0.41775443  0.89252309  0.14352260
   0.16996905  0.86210516  0.23728294
   0.33823848  0.65977082  0.45692424
   0.07759926  0.62078273  0.40168807
   0.15279081  0.57513078  0.58375032
   0.29254279  0.69568452  0.76964754
   0.14085966  0.81455938  0.51885047
   0.37076661  1.00368087  0.80812202
   0.44144552  0.91888786  0.63327021
   0.18481475  0.90362412  0.69906580
   0.24720330  0.68085642 -0.03989909
   0.00402651  0.61802631  0.93197787
   0.60108033  0.07323847  0.11083302
   0.83617966  0.21324238  0.26090435
   0.59169144  0.31394231  0.03139330
   0.90157717  0.44873980  0.34589584
   0.03793702  0.35441481  0.19332239
   0.76339702  0.42414101  0.15472398
   0.76671222  0.19760667  0.43875319
   0.52866336  0.12321466  0.40044938
   0.64682677  0.07332177  0.57990922
   0.81088575  0.19258583  0.79185327
   0.54820266  0.32191909  0.52602225
   0.84401367  0.44779997  0.83852653
   0.96202604  0.41743121  0.64992409
   0.71036931  0.36019175  0.67698367
   0.78003086  0.14138626  0.97543075
   0.53636485  0.09260119  0.92726371
   0.57317050  0.58899396  0.08532287
   0.88028007  0.70217395  0.28328877
   0.61463218  0.82828733  0.04349958
   0.83761764  0.96883524  0.35491920
   0.89690438  0.91666344  0.17503150
   0.65882952  0.85674195  0.23734245
   0.82057760  0.63405075  0.46196207
   0.56622016  0.55901337  0.38408485
   0.61832090  0.58151704  0.55837054
   0.83035173  0.70054643  0.78503604
   0.61935246  0.80929071  0.42946734
   0.88260545  0.94672534  0.85117728
   0.93601055  0.86622420  0.65964067
   0.67868184  0.91575202  0.73360167
   0.75215680  0.65515285  0.95675382
   0.49365255  0.69568797  0.89475262
   0.64857615  0.79793332  0.58576871
   0.56215482  0.85635086  0.37913827
   0.89358141  0.21146464  0.10007557
   0.96410229  0.39083247  0.38378421
   0.29700960  0.12479897  0.65922085
   0.22225622  0.74609675  0.76304761
   0.02214188  1.13758691  0.12504363
   0.20942859  1.06399302  0.02427842
   0.62109169  0.35682966  0.85027845
   0.89107713  0.40773491  0.60909620
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955802    0.300929   -0.107282
    -0.000000    9.808642    0.078494
    -0.000000    0.000000   13.840228
   Si   O    H 
    32    64    10
Direct configuration=   733
   0.15631251  0.18303167 -0.03935663
   0.38305575  0.07991129  0.36620412
   0.14575688  0.40921933  0.11586980
   0.38145527  0.33566062  0.25373338
   0.12599137  0.15010660  0.48406378
   0.41848919  0.14573027  0.85413544
   0.12102012  0.41519241  0.61395411
   0.36799269  0.39244832  0.75653304
   0.09726282  0.67699940  0.01139344
   0.40634641  0.58619065  0.36251122
   0.05924189  0.91583498  0.15022041
   0.32906669  0.83032732  0.23479648
   0.17882266  0.66353006  0.49047013
   0.34220181  0.63945413  0.87359960
   0.07288582  0.90908129  0.60574149
   0.32701320  0.98421158  0.69512725
   0.62567420  0.15752064  1.01325998
   0.86463505  0.12425563  0.35452954
   0.61191231  0.43531429  0.12218196
   0.88698375  0.31207642  0.17298626
   0.62999071  0.17722207  0.48952599
   0.87331744  0.10809430  0.88558616
   0.58927341  0.43399855  0.60768006
   0.74126584  0.33880047  0.79336509
   0.59367592  0.68464580 -0.00902488
   0.91657985  0.60933003  0.37518417
   0.57589876  0.91006780  0.13896481
   0.82134335  0.85778990  0.26589692
   0.65277765  0.65205417  0.45975281
   0.85752196  0.60510177  0.88095585
   0.60506674  0.92673393  0.63234891
   0.83896049  0.86014412  0.75415401
   0.09484741  0.08355811  0.16779292
   0.35484259  0.17316554  0.27345073
   0.10990243  0.31582667  0.02444173
   0.33890225  0.43593339  0.33791766
   0.53355343  0.38244658  0.21984877
   0.29002403  0.37748753  0.15928845
   0.27008366  0.09527832  0.45549315
   0.02281630  0.15124941  0.39301457
   0.05983589  0.06789770  0.58045272
   0.46080808  0.24421754  0.76445012
   0.14193413  0.31452965  0.52093136
   0.35447460  0.46070207  0.86303810
   0.45417972  0.47173427  0.67124572
   0.22188514  0.35868874  0.69922583
   0.28839120  0.21506413 -0.10184332
   0.02677174  0.12843154  0.92085805
   0.10311469  0.57165577  0.10310229
   0.39879495  0.67760691  0.26410677
   0.09188716  0.83597065  0.05094188
   0.38960572  0.92317028  0.33124886
   0.41875171  0.89201212  0.14344525
   0.16882193  0.86287219  0.23611172
   0.33866829  0.65819065  0.45518443
   0.07774167  0.62124578  0.39973297
   0.15374875  0.57587950  0.58259196
   0.29299098  0.69413929  0.76971473
   0.14202282  0.81496348  0.51883844
   0.37077633  1.00337476  0.80933582
   0.44402134  0.92026018  0.63406176
   0.18451094  0.90407200  0.69929781
   0.24792047  0.68045492 -0.03970375
   0.00344531  0.61715897  0.93088410
   0.60085087  0.07357181  0.11003989
   0.83401485  0.21080680  0.26152962
   0.59153833  0.31123116  0.03071190
   0.90320963  0.44892814  0.34604464
   0.03690180  0.35235503  0.19209220
   0.76384711  0.42363444  0.15266583
   0.76680415  0.19674233  0.43818044
   0.53011504  0.12268888  0.39994721
   0.64784812  0.07431105  0.58011989
   0.81124133  0.19250694  0.79221346
   0.54880181  0.32091256  0.52715396
   0.84346588  0.44847458  0.83960729
   0.96089786  0.41923354  0.65094847
   0.70984628  0.35938447  0.67664454
   0.77837064  0.14366818  0.97542315
   0.53590258  0.09364214  0.92704786
   0.57173516  0.58885955  0.08488021
   0.88114667  0.70395499  0.28338127
   0.61607299  0.82935219  0.04318734
   0.83771027  0.96753225  0.35517454
   0.89728415  0.91463976  0.17677903
   0.65686231  0.85512902  0.23658442
   0.81852048  0.63532788  0.46189016
   0.56699133  0.55861156  0.38323476
   0.61749629  0.58087619  0.55793004
   0.83098654  0.70051434  0.78508288
   0.61854331  0.80986092  0.42945481
   0.88091066  0.94562674  0.85039575
   0.93512027  0.86724960  0.65951033
   0.67980292  0.91619769  0.73384622
   0.75133300  0.65588085  0.95563367
   0.49279388  0.69554541  0.89547974
   0.65620439  0.79512591  0.58875574
   0.56778019  0.85470225  0.38600160
   0.89054937  0.21538832  0.09998596
   0.96386282  0.38415266  0.37785087
   0.30219902  0.12473474  0.65946836
   0.20267318  0.75503978  0.75932994
   0.02860846  1.13397009  0.12911749
   0.20947528  1.06307195  0.02238494
   0.62061371  0.35789155  0.85522397
   0.88195597  0.40625558  0.60416212
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955798    0.302008   -0.105975
    -0.000000    9.811049    0.077076
    -0.000000    0.000000   13.840570
   Si   O    H 
    32    64    10
Direct configuration=   734
   0.15589120  0.18269970 -0.03919142
   0.38322716  0.07906716  0.36682762
   0.14531808  0.41037381  0.11659959
   0.38112233  0.33436927  0.25268400
   0.12576139  0.15205589  0.48481044
   0.41877482  0.14629873  0.85436143
   0.12110689  0.41518184  0.61274066
   0.36844551  0.39377313  0.75736169
   0.09810569  0.67763290  0.01190993
   0.40598336  0.58662046  0.36188935
   0.05959955  0.91575365  0.14973129
   0.32969566  0.83037704  0.23440943
   0.17853752  0.66206953  0.48948631
   0.34153257  0.63798176  0.87430942
   0.07381033  0.90888308  0.60625823
   0.32800452  0.98425821  0.69525236
   0.62576057  0.15785484  1.01343111
   0.86510408  0.12490444  0.35424984
   0.61128475  0.43456271  0.12211812
   0.88588517  0.31072792  0.17277982
   0.62946654  0.17818113  0.48931582
   0.87440527  0.10763606  0.88609147
   0.58937006  0.43433912  0.60808040
   0.74118743  0.33862864  0.79320119
   0.59487421  0.68451025 -0.00881230
   0.91579093  0.60886717  0.37472972
   0.57514485  0.90946482  0.13873610
   0.82001549  0.85860780  0.26522023
   0.65252854  0.65227416  0.45991023
   0.85838138  0.60458425  0.87994600
   0.60552006  0.92674920  0.63227862
   0.83929520  0.85965555  0.75371757
   0.09444827  0.08298972  0.16789566
   0.35395056  0.17545109  0.27301350
   0.11094823  0.31738176  0.02533051
   0.33879407  0.43561631  0.33732424
   0.53451566  0.38233935  0.22049871
   0.28969284  0.37726256  0.15830715
   0.27114192  0.09514978  0.45539632
   0.02429616  0.15035186  0.39159653
   0.06119691  0.06825478  0.58065515
   0.46276270  0.24580260  0.76548068
   0.14201247  0.31389746  0.52098143
   0.35469754  0.46087075  0.86252638
   0.45309066  0.47047603  0.67124928
   0.22144715  0.35834530  0.69969775
   0.28756447  0.21587237 -0.10264669
   0.02559470  0.12898880  0.91918094
   0.10073815  0.57154503  0.10064877
   0.40036525  0.67707003  0.26342639
   0.09429425  0.83503396  0.05141140
   0.38944028  0.92497927  0.33161516
   0.41856792  0.89153902  0.14377418
   0.16754773  0.86313958  0.23485795
   0.33899565  0.65670700  0.45381750
   0.07860907  0.62213361  0.39829707
   0.15464162  0.57561592  0.58190064
   0.29282223  0.69261438  0.76993456
   0.14253915  0.81648946  0.51848432
   0.37063546  1.00253706  0.81001381
   0.44701514  0.92067614  0.63451290
   0.18396190  0.90479927  0.69950176
   0.24788183  0.68059086 -0.03936618
   0.00205501  0.61699432  0.92939555
   0.60093582  0.07415752  0.10927611
   0.83207290  0.20899447  0.26221344
   0.59126890  0.31003526  0.03040161
   0.90429425  0.44991505  0.34598198
   0.03674425  0.35038575  0.19137696
   0.76492457  0.42331502  0.15112994
   0.76752277  0.19589557  0.43767101
   0.53181033  0.12269430  0.39998731
   0.64932652  0.07505427  0.58066437
   0.81131939  0.19182865  0.79310421
   0.54980614  0.31929451  0.52794127
   0.84296173  0.44820936  0.84097331
   0.95989449  0.42059439  0.65178452
   0.70834856  0.35914816  0.67635226
   0.77586114  0.14498951  0.97517395
   0.53474311  0.09526573  0.92656952
   0.56928885  0.58775251  0.08454363
   0.88240375  0.70523631  0.28353019
   0.61736828  0.82978112  0.04327711
   0.83843610  0.96616225  0.35553693
   0.89814188  0.91255680  0.17795455
   0.65509437  0.85411132  0.23553373
   0.81639290  0.63576181  0.46253930
   0.56718837  0.55756947  0.38232374
   0.61744917  0.58015970  0.55788739
   0.83123782  0.70093723  0.78542333
   0.61830455  0.80986438  0.43021632
   0.87890121  0.94398608  0.84975632
   0.93349855  0.86776344  0.65950155
   0.68076400  0.91650473  0.73446921
   0.74900535  0.65695056  0.95487938
   0.49159811  0.69444382  0.89651941
   0.66245064  0.79725524  0.59287965
   0.56020492  0.86210164  0.38190338
   0.89069518  0.21710532  0.09621980
   0.96297795  0.37716059  0.37421119
   0.30716644  0.11990492  0.66183246
   0.19510511  0.75688048  0.75526594
   0.03186365  1.13738877  0.13226943
   0.21163825  1.06395058  0.01884038
   0.62213395  0.36125502  0.85879829
   0.87975843  0.40183622  0.60428374
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955729    0.302904   -0.104299
    -0.000000    9.813740    0.075851
    -0.000000    0.000000   13.840578
   Si   O    H 
    32    64    10
Direct configuration=   735
   0.15593033  0.18278986 -0.03856327
   0.38259432  0.07850834  0.36775149
   0.14480389  0.41087067  0.11754389
   0.38133844  0.33349076  0.25104726
   0.12526601  0.15442082  0.48582997
   0.41892044  0.14708716  0.85476575
   0.12118454  0.41441910  0.61158053
   0.36899656  0.39459755  0.75833590
   0.09941801  0.67823367  0.01273645
   0.40625111  0.58685318  0.36098519
   0.06016159  0.91528377  0.14929477
   0.33063505  0.83068633  0.23433856
   0.17852658  0.66099560  0.48834424
   0.34032843  0.63631484  0.87503293
   0.07516821  0.90882289  0.60660997
   0.32888460  0.98529025  0.69581913
   0.62592952  0.15779968  1.01349637
   0.86571720  0.12512943  0.35434870
   0.61085090  0.43325467  0.12137258
   0.88479139  0.30964227  0.17293760
   0.62900666  0.17872948  0.48943391
   0.87535350  0.10702704  0.88623453
   0.58897334  0.43479068  0.60841400
   0.74098338  0.33827540  0.79306346
   0.59683597  0.68476700 -0.00832334
   0.91533746  0.60846884  0.37443093
   0.57449772  0.90878665  0.13789695
   0.81880404  0.85851733  0.26454810
   0.65286133  0.65288537  0.45991018
   0.85945276  0.60401004  0.87893095
   0.60611186  0.92623042  0.63179122
   0.83914523  0.85919258  0.75350511
   0.09403439  0.08178173  0.16789076
   0.35362642  0.17806483  0.27259088
   0.11164120  0.31924198  0.02614732
   0.33851933  0.43637240  0.33643593
   0.53533888  0.38272852  0.22074051
   0.29071194  0.37711659  0.15732506
   0.27258404  0.09535550  0.45514801
   0.02514389  0.14983507  0.39012340
   0.06263832  0.06800702  0.58033807
   0.46433058  0.24739974  0.76655251
   0.14224710  0.31256250  0.52059673
   0.35452505  0.46174748  0.86227752
   0.45229731  0.46953272  0.67078348
   0.22119686  0.35811867  0.70080596
   0.28674177  0.21705064 -0.10358442
   0.02308068  0.12972791  0.91736580
   0.09931507  0.57114802  0.09906016
   0.40154342  0.67799541  0.26293649
   0.09599824  0.83404577  0.05229467
   0.38955354  0.92558126  0.33193462
   0.41717610  0.89144495  0.14437198
   0.16655257  0.86249257  0.23402882
   0.33863715  0.65525660  0.45252668
   0.07952041  0.62319241  0.39711236
   0.15526838  0.57434128  0.58162215
   0.29249088  0.69119727  0.76987599
   0.14251798  0.81858297  0.51798920
   0.37045010  1.00152693  0.81077886
   0.44982792  0.91961917  0.63440970
   0.18311912  0.90575343  0.69942382
   0.24784084  0.68068431 -0.03857856
   0.00090802  0.61724264  0.92761701
   0.60046980  0.07382565  0.10843559
   0.83002364  0.20743602  0.26321543
   0.59049932  0.31050634  0.03097158
   0.90517903  0.45113020  0.34615873
   0.03626401  0.34747278  0.19048399
   0.76583380  0.42273379  0.15058804
   0.76931302  0.19502221  0.43684230
   0.53338056  0.12270101  0.40031516
   0.65002062  0.07526051  0.58092601
   0.81134288  0.19114259  0.79409612
   0.55035004  0.31748642  0.52892969
   0.84264676  0.44806795  0.84221669
   0.95894290  0.42171516  0.65212685
   0.70651745  0.35922702  0.67565473
   0.77363843  0.14662383  0.97501840
   0.53361835  0.09726793  0.92500854
   0.56765232  0.58624843  0.08432424
   0.88307514  0.70710434  0.28381941
   0.61891487  0.83017993  0.04298677
   0.84018102  0.96487271  0.35579050
   0.89893511  0.91104884  0.17766628
   0.65382621  0.85302840  0.23460622
   0.81524216  0.63635832  0.46328608
   0.56722677  0.55616600  0.38159934
   0.61770395  0.57918276  0.55855711
   0.83187278  0.70043454  0.78567693
   0.61733362  0.81050088  0.43084646
   0.87740099  0.94302435  0.84973247
   0.93222194  0.86764509  0.65980553
   0.68221782  0.91685078  0.73525589
   0.74686596  0.65767537  0.95473131
   0.49079290  0.69263167  0.89767968
   0.66631030  0.80084134  0.59902498
   0.55436419  0.86157688  0.38041025
   0.89263891  0.21703474  0.09032698
   0.95700937  0.37344818  0.37159014
   0.30979084  0.11919103  0.66209928
   0.20173120  0.75503864  0.75276722
   0.02810762  1.14478594  0.13121044
   0.21240678  1.06494438  0.01684734
   0.62249250  0.36564577  0.85937974
   0.88909008  0.40121209  0.60936485
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955768    0.304201   -0.102054
    -0.000000    9.815988    0.074390
    -0.000000    0.000000   13.840565
   Si   O    H 
    32    64    10
Direct configuration=   736
   0.15625386  0.18317173 -0.03763219
   0.38242354  0.07814018  0.36872292
   0.14525709  0.41047406  0.11804175
   0.38235021  0.33293114  0.24930150
   0.12462315  0.15636958  0.48676483
   0.41882992  0.14715740  0.85495324
   0.12052989  0.41376182  0.61057605
   0.36858824  0.39601545  0.75913557
   0.10119866  0.67864211  0.01287367
   0.40731829  0.58630561  0.35998346
   0.06102715  0.91549243  0.14918166
   0.33241461  0.83108793  0.23474133
   0.17844079  0.65996155  0.48733962
   0.33946855  0.63452199  0.87576524
   0.07613429  0.90868974  0.60763074
   0.32984566  0.98572436  0.69616972
   0.62632060  0.15744377  1.01336620
   0.86645856  0.12571408  0.35524318
   0.61003099  0.43167946  0.12098422
   0.88403472  0.30843101  0.17335081
   0.62819041  0.17967023  0.48918183
   0.87583171  0.10607189  0.88642409
   0.58841750  0.43457937  0.60888541
   0.74073374  0.33801043  0.79300814
   0.59861740  0.68509657 -0.00771173
   0.91482594  0.60771924  0.37430410
   0.57453156  0.90855515  0.13736054
   0.81711436  0.85868817  0.26429129
   0.65227676  0.65302776  0.46022761
   0.86073157  0.60369656  0.87816699
   0.60736857  0.92553268  0.63149912
   0.83922056  0.85891463  0.75318887
   0.09329248  0.08037233  0.16779846
   0.35368150  0.18041697  0.27216503
   0.11216528  0.32136131  0.02582449
   0.33863894  0.43843030  0.33598111
   0.53480198  0.38292938  0.22148671
   0.29117309  0.37706258  0.15639607
   0.27313579  0.09538826  0.45450594
   0.02580730  0.14961143  0.38887157
   0.06375848  0.06842533  0.57949936
   0.46646514  0.24986365  0.76741831
   0.14231723  0.31108590  0.52060146
   0.35437204  0.46341184  0.86195737
   0.45185438  0.46888062  0.67001095
   0.22105526  0.35822976  0.70186729
   0.28584119  0.21776574 -0.10372032
   0.02102472  0.13122064  0.91561816
   0.09753201  0.56999712  0.09800924
   0.40215491  0.67933108  0.26202422
   0.09655647  0.83310563  0.05325126
   0.38917791  0.92600459  0.33186659
   0.41610165  0.89141437  0.14544387
   0.16591765  0.86095062  0.23314128
   0.33809743  0.65412821  0.45176573
   0.08090282  0.62358756  0.39577118
   0.15527671  0.57247323  0.58153752
   0.29134486  0.69125687  0.76938752
   0.14166851  0.82086324  0.51809840
   0.37061091  1.00034963  0.81077922
   0.45139994  0.91789069  0.63402045
   0.18239227  0.90647570  0.69908965
   0.24790406  0.68036911 -0.03757426
   0.00038234  0.61836959  0.92653682
   0.59998522  0.07343982  0.10805801
   0.82736269  0.20618756  0.26289372
   0.58843332  0.31202283  0.03238464
   0.90601936  0.45238392  0.34684164
   0.03631509  0.34545066  0.19003971
   0.76753638  0.42266038  0.15047359
   0.76982989  0.19404637  0.43646390
   0.53468681  0.12251277  0.40086743
   0.65021283  0.07479697  0.58118405
   0.81132566  0.19046546  0.79505869
   0.55078489  0.31575785  0.52938420
   0.84203018  0.44885785  0.84314029
   0.95884470  0.42208682  0.65324286
   0.70431359  0.35930227  0.67476098
   0.77092667  0.14777474  0.97513330
   0.53317786  0.09883335  0.92332784
   0.56540377  0.58493145  0.08391898
   0.88419793  0.70929851  0.28407862
   0.62094162  0.83113290  0.04258204
   0.84134298  0.96361812  0.35584629
   0.89994789  0.91059158  0.17650712
   0.65275838  0.85206520  0.23368329
   0.81467546  0.63687477  0.46429020
   0.56757264  0.55553363  0.38109880
   0.61872054  0.57880168  0.55920066
   0.83281027  0.70046472  0.78585211
   0.61645679  0.81238768  0.43112155
   0.87683044  0.94250118  0.84995500
   0.93147522  0.86742750  0.65983952
   0.68427041  0.91662042  0.73605155
   0.74450911  0.65818900  0.95448821
   0.49000288  0.69087771  0.89909988
   0.66699831  0.80272292  0.59953232
   0.55516591  0.85513876  0.38424526
   0.89423366  0.21800003  0.08412559
   0.95282235  0.37081853  0.37024578
   0.31004113  0.12521800  0.66254208
   0.22270089  0.74696949  0.75326295
   0.03066727  1.14806060  0.13282665
   0.21122611  1.06806662  0.01689254
   0.62280024  0.36708047  0.85632783
   0.88765443  0.39972909  0.60829182
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955645    0.305496   -0.099201
    -0.000000    9.817982    0.073041
    -0.000000    0.000000   13.840343
   Si   O    H 
    32    64    10
Direct configuration=   737
   0.15634341  0.18402429 -0.03649729
   0.38236718  0.07703724  0.36991284
   0.14515772  0.41023136  0.11817976
   0.38270045  0.33287834  0.24805504
   0.12450207  0.15791445  0.48745795
   0.41850426  0.14728224  0.85473368
   0.12002920  0.41227665  0.60964013
   0.36799306  0.39751087  0.75960793
   0.10215201  0.67925950  0.01260533
   0.40812593  0.58521749  0.35921639
   0.06194713  0.91597903  0.14936798
   0.33445226  0.83128911  0.23517484
   0.17822159  0.65952492  0.48678045
   0.33883792  0.63285935  0.87637257
   0.07650601  0.90831165  0.60879429
   0.33037512  0.98643154  0.69653018
   0.62637711  0.15636411  1.01314645
   0.86661483  0.12615998  0.35619198
   0.60878324  0.43023199  0.12075490
   0.88306440  0.30720938  0.17370054
   0.62671507  0.18017355  0.48867129
   0.87630226  0.10474118  0.88655784
   0.58828132  0.43419713  0.60935593
   0.74008183  0.33807728  0.79269365
   0.60013023  0.68589486 -0.00694812
   0.91451637  0.60708360  0.37435436
   0.57548714  0.90880262  0.13693964
   0.81586320  0.85872386  0.26414200
   0.65144152  0.65339807  0.46038742
   0.86081431  0.60373539  0.87759354
   0.60897345  0.92513591  0.63135010
   0.83897073  0.85834737  0.75274317
   0.09217792  0.07951717  0.16711274
   0.35349157  0.18147685  0.27188360
   0.11298845  0.32311730  0.02520303
   0.33867981  0.43994803  0.33563686
   0.53463982  0.38304763  0.22258294
   0.29125659  0.37742120  0.15530964
   0.27262564  0.09567388  0.45333130
   0.02580299  0.14982010  0.38790237
   0.06563116  0.06945478  0.57904648
   0.46846035  0.25166409  0.76801895
   0.14238611  0.31005017  0.52036058
   0.35437854  0.46551726  0.86154087
   0.45066119  0.46902087  0.66932811
   0.22071944  0.35843258  0.70268526
   0.28539596  0.21924803 -0.10380881
   0.01944620  0.13318026  0.91400910
   0.09664906  0.56869337  0.09736625
   0.40188451  0.68083997  0.26110413
   0.09696397  0.83241868  0.05422702
   0.38934333  0.92602759  0.33182334
   0.41471818  0.89205236  0.14608529
   0.16580532  0.85963296  0.23192022
   0.33727100  0.65343584  0.45138565
   0.08188458  0.62378583  0.39478458
   0.15520916  0.57017180  0.58158567
   0.29124239  0.69082670  0.76919875
   0.14079075  0.82315752  0.51801692
   0.37090190  0.99987985  0.81086345
   0.45301580  0.91563771  0.63375829
   0.18176848  0.90765635  0.69841232
   0.24793575  0.68031614 -0.03627478
   0.00059608  0.62002184  0.92536800
   0.59937626  0.07337416  0.10797433
   0.82402228  0.20489820  0.26198341
   0.58664168  0.31449973  0.03386786
   0.90709103  0.45312333  0.34693869
   0.03713457  0.34365753  0.18942557
   0.76920486  0.42214623  0.15048508
   0.77057330  0.19307025  0.43626678
   0.53516154  0.12191913  0.40137448
   0.65007058  0.07490986  0.58130786
   0.81198540  0.18929959  0.79570639
   0.55144702  0.31487154  0.52963381
   0.84168611  0.44944728  0.84387500
   0.95907719  0.42209328  0.65396774
   0.70173706  0.35905437  0.67381216
   0.76917443  0.14869423  0.97466559
   0.53310188  0.09971638  0.92228271
   0.56358686  0.58346149  0.08352741
   0.88451437  0.71138529  0.28431198
   0.62281412  0.83117075  0.04150177
   0.84298250  0.96262775  0.35555890
   0.90110932  0.90916086  0.17540412
   0.65195376  0.85099698  0.23242662
   0.81386643  0.63740855  0.46430870
   0.56833292  0.55476161  0.38069892
   0.61986073  0.57882473  0.55984723
   0.83377335  0.70017176  0.78626638
   0.61642850  0.81369142  0.43151915
   0.87565241  0.94326473  0.85015499
   0.93130807  0.86733909  0.65979151
   0.68625279  0.91691798  0.73675541
   0.74295666  0.65797354  0.95418405
   0.48946581  0.68880213  0.90061917
   0.66915328  0.80141200  0.59819444
   0.55319503  0.85132777  0.38648313
   0.89536086  0.21673875  0.07904965
   0.95023673  0.37185245  0.36876762
   0.30962276  0.13144008  0.66116464
   0.22932236  0.75333622  0.75054314
   0.03307501  1.14649084  0.13928036
   0.21082099  1.06953164  0.01740043
   0.62258275  0.36621415  0.85083597
   0.88620725  0.39534763  0.60593502
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955196    0.306640   -0.097281
    -0.000000    9.820367    0.072135
    -0.000000    0.000000   13.839589
   Si   O    H 
    32    64    10
Direct configuration=   738
   0.15620103  0.18530649 -0.03543208
   0.38306717  0.07638483  0.37108786
   0.14448205  0.40947596  0.11815409
   0.38303339  0.33295016  0.24696071
   0.12463248  0.15935647  0.48761479
   0.41791236  0.14738190  0.85431112
   0.11924001  0.41051074  0.60877715
   0.36706176  0.39799655  0.75976791
   0.10344081  0.67951382  0.01192097
   0.40841086  0.58467302  0.35878729
   0.06257491  0.91705250  0.14967174
   0.33604805  0.83180619  0.23573325
   0.17797193  0.65938705  0.48610127
   0.33842951  0.63097666  0.87682499
   0.07683834  0.90823793  0.60972595
   0.33131635  0.98737927  0.69738181
   0.62624426  0.15488366  1.01286039
   0.86773716  0.12648917  0.35734554
   0.60726931  0.42857911  0.12093122
   0.88301751  0.30631947  0.17378745
   0.62446111  0.18015813  0.48821862
   0.87562212  0.10246629  0.88670251
   0.58774968  0.43365605  0.61004464
   0.74025014  0.33853550  0.79275685
   0.60152391  0.68698890 -0.00658616
   0.91427864  0.60659622  0.37440627
   0.57600025  0.90887488  0.13639207
   0.81432564  0.85844275  0.26447030
   0.65060230  0.65402207  0.46047644
   0.86041466  0.60348309  0.87687707
   0.61072925  0.92512285  0.63111766
   0.83872989  0.85806596  0.75261166
   0.09132327  0.07833267  0.16647623
   0.35355642  0.18099180  0.27244797
   0.11390215  0.32473651  0.02425836
   0.33820408  0.44154662  0.33470030
   0.53510949  0.38347676  0.22311720
   0.29237071  0.37756387  0.15423811
   0.27191867  0.09652124  0.45267373
   0.02529544  0.15045827  0.38741588
   0.06669085  0.07040322  0.57825814
   0.46986494  0.25383949  0.76893047
   0.14208656  0.30928231  0.52006148
   0.35446635  0.46768149  0.86113780
   0.44987370  0.47067541  0.66791904
   0.22040609  0.35897905  0.70355420
   0.28432754  0.22130979 -0.10364748
   0.01859679  0.13501162  0.91251359
   0.09650248  0.56738828  0.09721570
   0.40140168  0.68288501  0.26026545
   0.09702227  0.83289155  0.05514497
   0.38888996  0.92522110  0.33154814
   0.41281524  0.89312036  0.14614517
   0.16577219  0.85845718  0.23109607
   0.33601563  0.65235397  0.45133009
   0.08290257  0.62392589  0.39376245
   0.15537634  0.56784171  0.58120584
   0.29182408  0.68880356  0.76941821
   0.13967602  0.82512974  0.51835772
   0.37092363  0.99905943  0.81096527
   0.45446108  0.91422454  0.63296914
   0.18039811  0.90850153  0.69741547
   0.24912980  0.68037118 -0.03491289
   0.00116509  0.62141458  0.92543473
   0.59861164  0.07301700  0.10809558
   0.82152030  0.20380259  0.26029420
   0.58514174  0.31826241  0.03545255
   0.90785680  0.45340270  0.34661162
   0.03752440  0.34217750  0.18908041
   0.77136587  0.42158585  0.15023362
   0.77074516  0.19321323  0.43659558
   0.53494238  0.12100802  0.40204618
   0.65065531  0.07476307  0.58118345
   0.81130073  0.18823955  0.79612690
   0.55155623  0.31365402  0.52945932
   0.84070008  0.44975914  0.84459013
   0.96069518  0.42236747  0.65443050
   0.69895037  0.35823427  0.67323079
   0.77000093  0.14919785  0.97385648
   0.53419161  0.10043813  0.92148289
   0.56163089  0.58261153  0.08305062
   0.88535418  0.71249131  0.28470663
   0.62504815  0.83114777  0.04038026
   0.84351539  0.96214657  0.35477261
   0.90219384  0.90901654  0.17419117
   0.65235902  0.85024243  0.23147881
   0.81286931  0.63796258  0.46382917
   0.56918023  0.55400936  0.38100812
   0.62011441  0.57833726  0.55991758
   0.83458941  0.70019656  0.78619320
   0.61638157  0.81472958  0.43209394
   0.87465499  0.94355814  0.85044596
   0.93122675  0.86754701  0.66002948
   0.68676532  0.91802348  0.73726161
   0.74245397  0.65673916  0.95370229
   0.48853711  0.68715435  0.90256393
   0.67349080  0.80048624  0.59544876
   0.54469665  0.85134276  0.38389509
   0.89819834  0.21798171  0.07914177
   0.95298943  0.37079924  0.37069879
   0.30722244  0.13758586  0.65894670
   0.22379933  0.77049062  0.74561845
   0.03163214  1.15050215  0.14252373
   0.20893638  1.06869277  0.01725645
   0.62277887  0.36404432  0.84628612
   0.88944474  0.39407938  0.60722410
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954772    0.307789   -0.094644
    -0.000000    9.822598    0.071524
    -0.000000    0.000000   13.839036
   Si   O    H 
    32    64    10
Direct configuration=   739
   0.15686517  0.18645764 -0.03407478
   0.38424149  0.07561737  0.37204419
   0.14357255  0.40915558  0.11802427
   0.38325565  0.33323707  0.24585721
   0.12442429  0.16080293  0.48734883
   0.41764772  0.14768641  0.85351306
   0.11859825  0.40905189  0.60835170
   0.36678909  0.39810042  0.75992584
   0.10428757  0.67967996  0.01110199
   0.40897292  0.58366843  0.35858922
   0.06272224  0.91879782  0.15027380
   0.33698772  0.83189374  0.23648870
   0.17781157  0.65891401  0.48543979
   0.33821555  0.62981635  0.87675897
   0.07656239  0.90878210  0.61048801
   0.33212611  0.98869619  0.69829468
   0.62615388  0.15339610  1.01259071
   0.86869920  0.12630335  0.35785826
   0.60584849  0.42659330  0.12040350
   0.88312623  0.30478571  0.17386301
   0.62310475  0.17977378  0.48767953
   0.87405261  0.09985805  0.88662585
   0.58721107  0.43332167  0.61095502
   0.74057698  0.33896201  0.79272280
   0.60173564  0.68839899 -0.00629496
   0.91475450  0.60594636  0.37413921
   0.57609255  0.90920348  0.13592545
   0.81239931  0.85793645  0.26472562
   0.64991666  0.65489087  0.46003961
   0.85910126  0.60257536  0.87629129
   0.61265409  0.92532681  0.63075185
   0.83752671  0.85743779  0.75256395
   0.09059946  0.07755452  0.16578291
   0.35340785  0.17918427  0.27344644
   0.11536595  0.32562015  0.02298725
   0.33707741  0.44289625  0.33385647
   0.53513650  0.38362499  0.22379016
   0.29402691  0.37713757  0.15302661
   0.27169608  0.09724283  0.45244273
   0.02480830  0.15094264  0.38739194
   0.06807047  0.07153988  0.57788495
   0.47043945  0.25569929  0.77025872
   0.14157128  0.30954545  0.51947120
   0.35461481  0.47031695  0.86087051
   0.44870471  0.47258831  0.66686829
   0.21999024  0.35957295  0.70418393
   0.28254685  0.22181225 -0.10353337
   0.01841385  0.13657468  0.91157930
   0.09620264  0.56580525  0.09721390
   0.39979193  0.68521163  0.25959707
   0.09647429  0.83318754  0.05583656
   0.38902195  0.92428313  0.33081416
   0.41151515  0.89373366  0.14600901
   0.16624811  0.85629624  0.23024025
   0.33473382  0.65160985  0.45076434
   0.08397773  0.62408857  0.39242245
   0.15571719  0.56538904  0.58098587
   0.29134377  0.68697628  0.76969222
   0.13921776  0.82662754  0.51880026
   0.37060898  0.99853263  0.81131650
   0.45530537  0.91278462  0.63253934
   0.17987781  0.90810636  0.69664667
   0.24961048  0.68038990 -0.03337587
   0.00187435  0.62289009  0.92634097
   0.59801575  0.07304636  0.10864942
   0.81940542  0.20228594  0.25861518
   0.58366589  0.32083621  0.03667774
   0.90827950  0.45309984  0.34598379
   0.03822417  0.34145423  0.18930250
   0.77346399  0.42194782  0.15038763
   0.77034194  0.19317175  0.43690731
   0.53497058  0.11987677  0.40231059
   0.65109913  0.07402324  0.58093772
   0.80993378  0.18721071  0.79636989
   0.55149238  0.31288215  0.52931142
   0.83908669  0.45003013  0.84496381
   0.96228262  0.42257637  0.65479889
   0.69673227  0.35728716  0.67320719
   0.77154265  0.14877109  0.97333919
   0.53494061  0.10120815  0.92072789
   0.56019281  0.58193457  0.08214748
   0.88657178  0.71246087  0.28562108
   0.62738053  0.83107904  0.03949127
   0.84363513  0.96278689  0.35450152
   0.90358839  0.90930054  0.17358424
   0.65304751  0.84995618  0.23068865
   0.81261291  0.63808852  0.46329806
   0.56996404  0.55375562  0.38179913
   0.61950825  0.57787078  0.56013422
   0.83477370  0.69927298  0.78588212
   0.61479008  0.81579719  0.43228627
   0.87468931  0.94390834  0.85107108
   0.93182518  0.86699751  0.65994494
   0.68703855  0.91923491  0.73762629
   0.74388312  0.65555224  0.95313667
   0.48797267  0.68510360  0.90460369
   0.67878068  0.80068186  0.59400420
   0.54066568  0.84832625  0.38428235
   0.90653088  0.21851234  0.08371997
   0.95739159  0.37281275  0.37193773
   0.30638669  0.13772278  0.65556913
   0.22708869  0.77970755  0.74593544
   0.02805733  1.15370777  0.14214179
   0.20538241  1.06292759  0.01778278
   0.61608805  0.36224559  0.84311914
   0.89799686  0.39429374  0.61160522
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954597    0.309417   -0.092262
    -0.000000    9.824376    0.070751
    -0.000000    0.000000   13.838981
   Si   O    H 
    32    64    10
Direct configuration=   740
   0.15763863  0.18714916 -0.03290368
   0.38512662  0.07573661  0.37273042
   0.14255548  0.40866597  0.11762958
   0.38311072  0.33363644  0.24554842
   0.12425868  0.16134902  0.48685138
   0.41750114  0.14798605  0.85294587
   0.11805236  0.40775758  0.60850719
   0.36608844  0.39726138  0.75933728
   0.10487503  0.67951863  0.01052354
   0.40913140  0.58260521  0.35814540
   0.06317588  0.92059103  0.15082017
   0.33700412  0.83242973  0.23716234
   0.17766559  0.65923714  0.48474305
   0.33787824  0.62876066  0.87639900
   0.07609676  0.90937345  0.61107927
   0.33303960  0.99089192  0.69867233
   0.62596386  0.15263736  1.01214750
   0.87001143  0.12616400  0.35835470
   0.60525550  0.42517210  0.11996819
   0.88296680  0.30335609  0.17420638
   0.62250758  0.17907015  0.48723076
   0.87208183  0.09664081  0.88688193
   0.58655136  0.43289991  0.61146274
   0.74093588  0.33938636  0.79262492
   0.60159427  0.68946769 -0.00619414
   0.91566275  0.60561514  0.37380435
   0.57533550  0.90980850  0.13536367
   0.81083539  0.85741668  0.26527179
   0.64933256  0.65600287  0.45970484
   0.85734995  0.60185954  0.87592317
   0.61494974  0.92560972  0.62989479
   0.83627132  0.85704333  0.75287223
   0.09009969  0.07707834  0.16455120
   0.35398881  0.17640485  0.27388726
   0.11636444  0.32564966  0.02122459
   0.33631615  0.44335650  0.33346451
   0.53531528  0.38446834  0.22414426
   0.29603961  0.37633280  0.15209399
   0.27107843  0.09826952  0.45211591
   0.02432846  0.15121906  0.38775124
   0.06868123  0.07260029  0.57770105
   0.46988692  0.25725403  0.77114580
   0.14143168  0.31032792  0.51911605
   0.35572904  0.47254304  0.86115778
   0.44808416  0.47411763  0.66605533
   0.21988569  0.36078880  0.70459108
   0.28105204  0.22247530 -0.10329077
   0.01849146  0.13823171  0.91104599
   0.09573206  0.56500674  0.09783184
   0.39798343  0.68773426  0.25949170
   0.09539734  0.83427189  0.05622391
   0.38971199  0.92171660  0.32986236
   0.41117104  0.89421015  0.14612311
   0.16744776  0.85435171  0.22997266
   0.33314396  0.65126643  0.45035538
   0.08433550  0.62502039  0.39054776
   0.15571250  0.56360886  0.58037422
   0.29110855  0.68632405  0.77005194
   0.13842840  0.82792269  0.51954885
   0.37090856  0.99829271  0.81153828
   0.45539606  0.91229238  0.63236584
   0.18004052  0.90695384  0.69659474
   0.25049763  0.68089567 -0.03215707
   0.00235134  0.62496095  0.92739709
   0.59800086  0.07205690  0.10912396
   0.81757572  0.20168178  0.25655152
   0.58250310  0.32230237  0.03769110
   0.90777966  0.45251300  0.34507703
   0.03924209  0.34132314  0.19001576
   0.77449208  0.42252251  0.15050242
   0.76909183  0.19305408  0.43695479
   0.53424977  0.11884809  0.40254921
   0.65078852  0.07288497  0.57996408
   0.80889774  0.18644949  0.79620820
   0.55149523  0.31242525  0.52902793
   0.83721677  0.45035302  0.84546854
   0.96485763  0.42260889  0.65530867
   0.69542550  0.35690410  0.67345469
   0.77353199  0.14757158  0.97310121
   0.53623930  0.10165257  0.92041194
   0.55871045  0.58134465  0.08127304
   0.88761650  0.71270583  0.28640352
   0.62990646  0.83113766  0.03878371
   0.84368126  0.96333745  0.35423367
   0.90416460  0.91008053  0.17248021
   0.65331787  0.84990472  0.23059837
   0.81174272  0.63821474  0.46209689
   0.57039218  0.55353376  0.38282211
   0.61927323  0.57602404  0.56051377
   0.83570742  0.69841237  0.78506274
   0.61304166  0.81687487  0.43232971
   0.87550515  0.94352545  0.85157537
   0.93303209  0.86632528  0.65899832
   0.68744222  0.92002400  0.73765491
   0.74542995  0.65489257  0.95185410
   0.48686079  0.68276934  0.90681328
   0.68190087  0.80215121  0.59288704
   0.53970571  0.84056709  0.38507888
   0.91152937  0.21667290  0.09116986
   0.96564354  0.38195038  0.37178583
   0.30606763  0.12994164  0.65550190
   0.23591064  0.77709433  0.74898184
   0.02923936  1.15093271  0.14036025
   0.20190317  1.05666170  0.01805798
   0.61222785  0.35982841  0.83977238
   0.89600868  0.39100445  0.60670133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954397    0.310602   -0.089732
    -0.000000    9.826079    0.069723
    -0.000000    0.000000   13.839064
   Si   O    H 
    32    64    10
Direct configuration=   741
   0.15801609  0.18691867 -0.03181597
   0.38559785  0.07575349  0.37307728
   0.14149098  0.40854494  0.11722738
   0.38371341  0.33471970  0.24547215
   0.12389581  0.16146747  0.48609941
   0.41739556  0.14813734  0.85188625
   0.11773877  0.40655072  0.60893835
   0.36551814  0.39676966  0.75840913
   0.10514990  0.67981182  0.01029467
   0.40935499  0.58193843  0.35765730
   0.06387375  0.92195810  0.15134696
   0.33666564  0.83340161  0.23846741
   0.17764984  0.65977612  0.48457909
   0.33780367  0.62833485  0.87606317
   0.07576093  0.90954597  0.61176924
   0.33400651  0.99302785  0.69849819
   0.62534792  0.15274238  1.01168092
   0.87161185  0.12583785  0.35881111
   0.60520857  0.42450723  0.11950344
   0.88274999  0.30150981  0.17465713
   0.62193046  0.17836343  0.48740492
   0.86997864  0.09401696  0.88708729
   0.58504167  0.43266408  0.61169238
   0.74091959  0.33910585  0.79243641
   0.60147217  0.69017115 -0.00650835
   0.91631685  0.60588290  0.37372352
   0.57413362  0.91073464  0.13443702
   0.80956573  0.85731777  0.26587045
   0.64839092  0.65686725  0.45926030
   0.85599035  0.60185115  0.87585520
   0.61725565  0.92656076  0.62916882
   0.83585898  0.85583633  0.75361376
   0.08997515  0.07666601  0.16299354
   0.35419514  0.17359574  0.27453744
   0.11757530  0.32490214  0.02011547
   0.33537728  0.44357061  0.33320326
   0.53527633  0.38557323  0.22450518
   0.29805135  0.37483131  0.15125051
   0.27017312  0.09937987  0.45202179
   0.02390429  0.15107546  0.38816275
   0.06884478  0.07280659  0.57798413
   0.46887984  0.25923542  0.77202613
   0.14142533  0.31114422  0.51889152
   0.35645140  0.47445588  0.86133071
   0.44803397  0.47538964  0.66523668
   0.21986321  0.36189955  0.70550587
   0.28015391  0.22278690 -0.10301649
   0.02011456  0.13934255  0.91083094
   0.09513576  0.56357530  0.09824795
   0.39617308  0.68879963  0.26036948
   0.09378815  0.83575772  0.05535871
   0.39002082  0.91969073  0.32929767
   0.41175985  0.89474778  0.14633385
   0.16904226  0.85229373  0.23032679
   0.33125636  0.65017968  0.45013210
   0.08382296  0.62536916  0.38917811
   0.15523300  0.56143891  0.57924512
   0.29002748  0.68596728  0.77027679
   0.13787451  0.82801809  0.52043915
   0.37211550  0.99838446  0.81188882
   0.45485132  0.91213975  0.63201721
   0.18071359  0.90518437  0.69661288
   0.25117716  0.68108585 -0.03129879
   0.00282772  0.62708957  0.92909803
   0.59799773  0.07111118  0.10922412
   0.81681787  0.20095536  0.25488473
   0.58152089  0.32203096  0.03857797
   0.90734229  0.45138065  0.34419070
   0.04000517  0.34238346  0.19114765
   0.77494152  0.42320803  0.14956951
   0.76785185  0.19325324  0.43742216
   0.53351015  0.11673549  0.40295286
   0.65008555  0.07139358  0.57911757
   0.80888235  0.18586409  0.79600505
   0.55203046  0.31263712  0.52928388
   0.83373142  0.45057092  0.84533967
   0.96678227  0.42201526  0.65581871
   0.69439662  0.35664669  0.67429394
   0.77604373  0.14688207  0.97303930
   0.53791525  0.10152553  0.92103985
   0.55775056  0.58122558  0.08056605
   0.88860377  0.71284061  0.28659312
   0.63191896  0.83167045  0.03853132
   0.84287743  0.96335936  0.35423867
   0.90438295  0.91077620  0.17134547
   0.65376615  0.84913806  0.23063143
   0.81121496  0.63885224  0.46076693
   0.57081979  0.55289360  0.38341691
   0.61867149  0.57452789  0.56074917
   0.83626211  0.69904441  0.78407464
   0.61104134  0.81805581  0.43236125
   0.87648815  0.94259509  0.85172752
   0.93407096  0.86616686  0.65853231
   0.68786052  0.92121543  0.73732150
   0.74691368  0.65422427  0.95065418
   0.48631405  0.68051753  0.90951302
   0.68515426  0.80393291  0.59172503
   0.54154562  0.83670533  0.38764651
   0.91212820  0.21226252  0.09563080
   0.97327095  0.38823414  0.37110334
   0.30433521  0.12053050  0.65504062
   0.24581712  0.76667735  0.75533002
   0.03165300  1.14158773  0.13984328
   0.20283216  1.05382009  0.01877600
   0.60854013  0.35825338  0.84192480
   0.89729212  0.39145572  0.60469636
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953889    0.311809   -0.086775
    -0.000000    9.827941    0.068335
    -0.000000    0.000000   13.839006
   Si   O    H 
    32    64    10
Direct configuration=   742
   0.15808725  0.18641969 -0.03100745
   0.38577534  0.07558948  0.37358747
   0.14036652  0.40849139  0.11731060
   0.38448770  0.33622561  0.24532316
   0.12300589  0.16094558  0.48542265
   0.41681944  0.14815962  0.85083059
   0.11765727  0.40538591  0.60983413
   0.36446698  0.39649827  0.75711650
   0.10517796  0.68049021  0.00990215
   0.40963272  0.58109799  0.35689800
   0.06423887  0.92273120  0.15150136
   0.33616500  0.83426972  0.23975796
   0.17746079  0.66035134  0.48462922
   0.33766357  0.62853105  0.87610355
   0.07546896  0.90962426  0.61209969
   0.33447410  0.99448300  0.69820955
   0.62448823  0.15382035  1.01091320
   0.87301451  0.12558364  0.35943946
   0.60539545  0.42390151  0.11927750
   0.88227000  0.29964277  0.17498048
   0.62121663  0.17768876  0.48760510
   0.86808403  0.09185868  0.88739862
   0.58358319  0.43335213  0.61172340
   0.74082904  0.33874498  0.79230044
   0.60092425  0.69043783 -0.00672190
   0.91706203  0.60620527  0.37342563
   0.57328821  0.91194902  0.13395866
   0.80836739  0.85780732  0.26615637
   0.64718365  0.65716683  0.45874775
   0.85544138  0.60180117  0.87571818
   0.61902314  0.92729939  0.62864125
   0.83590591  0.85500314  0.75424910
   0.09097123  0.07582505  0.16204184
   0.35426684  0.17136930  0.27580400
   0.11883369  0.32423761  0.01890404
   0.33548941  0.44313855  0.33294206
   0.53508346  0.38642872  0.22487800
   0.29925434  0.37419092  0.15052869
   0.27011735  0.09969630  0.45196881
   0.02376837  0.15089158  0.38819039
   0.06889851  0.07267242  0.57837293
   0.46646454  0.26075347  0.77269466
   0.14104141  0.31177223  0.51782306
   0.35705876  0.47521878  0.86130322
   0.44752074  0.47687673  0.66477889
   0.21970028  0.36297039  0.70664342
   0.28055731  0.22369519 -0.10245814
   0.02226018  0.14020687  0.91068665
   0.09430615  0.56296783  0.09844227
   0.39482043  0.68882897  0.26192473
   0.09173724  0.83764553  0.05415448
   0.39000152  0.91867106  0.32916450
   0.41245622  0.89451038  0.14629910
   0.17090840  0.85033843  0.23038004
   0.32971130  0.64888032  0.45013809
   0.08291877  0.62585636  0.38782025
   0.15473953  0.55945222  0.57815118
   0.28978716  0.68496442  0.77041253
   0.13701049  0.82742592  0.52086385
   0.37239746  0.99914126  0.81237957
   0.45400962  0.91120861  0.63214031
   0.18225545  0.90432187  0.69696793
   0.25225006  0.68092450 -0.03026551
   0.00259392  0.62904152  0.93058104
   0.59819746  0.07022017  0.10943297
   0.81675389  0.19960184  0.25339386
   0.58087002  0.32108248  0.03921499
   0.90642516  0.44991068  0.34294849
   0.03997924  0.34424966  0.19251778
   0.77528611  0.42309181  0.14870178
   0.76787230  0.19378088  0.43795892
   0.53287238  0.11467722  0.40365126
   0.64972158  0.06989727  0.57786564
   0.80860598  0.18596630  0.79558174
   0.55216992  0.31246498  0.52957754
   0.83113961  0.45037083  0.84494992
   0.96753639  0.42019588  0.65568986
   0.69434698  0.35714638  0.67569034
   0.77856063  0.14617399  0.97301283
   0.53968887  0.10107680  0.92174256
   0.55642209  0.58023034  0.07987167
   0.88897050  0.71236614  0.28671394
   0.63391115  0.83210982  0.03874260
   0.84118414  0.96395390  0.35440971
   0.90403324  0.91046324  0.17097562
   0.65467593  0.84859224  0.23025156
   0.81139240  0.63883159  0.45914076
   0.57074246  0.55245917  0.38335590
   0.61861323  0.57338724  0.56107691
   0.83671661  0.69919646  0.78276875
   0.61020137  0.81795460  0.43304285
   0.87756926  0.94173227  0.85200756
   0.93430815  0.86613647  0.65837066
   0.68817484  0.92318401  0.73712084
   0.74811124  0.65297652  0.94980559
   0.48578799  0.67954518  0.91229745
   0.68758001  0.80554584  0.59192050
   0.53412867  0.83768027  0.38700613
   0.91060741  0.20870473  0.09742296
   0.98127293  0.39142480  0.36983358
   0.30218904  0.11427795  0.65385986
   0.24788186  0.76647069  0.75985640
   0.02629892  1.14301190  0.13446392
   0.20427243  1.05292258  0.01774168
   0.61043385  0.35449467  0.84688358
   0.90199587  0.39704870  0.60744061
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953598    0.312932   -0.083630
    -0.000000    9.829384    0.066935
    -0.000000    0.000000   13.839243
   Si   O    H 
    32    64    10
Direct configuration=   743
   0.15890988  0.18592289 -0.03035441
   0.38598757  0.07555240  0.37411136
   0.14020297  0.40876792  0.11755579
   0.38536569  0.33726128  0.24507389
   0.12188946  0.16004729  0.48456954
   0.41647768  0.14812564  0.85039297
   0.11792307  0.40475613  0.61115662
   0.36406840  0.39622790  0.75570321
   0.10510672  0.68080171  0.00934947
   0.40996119  0.58063642  0.35611632
   0.06445937  0.92308179  0.15171103
   0.33557832  0.83544513  0.24105384
   0.17637369  0.66099134  0.48504315
   0.33835049  0.62963952  0.87584789
   0.07538283  0.91003436  0.61233560
   0.33492456  0.99567078  0.69785491
   0.62384695  0.15553196  1.01020548
   0.87414217  0.12524457  0.36021538
   0.60561049  0.42415097  0.11949701
   0.88209658  0.29785876  0.17536469
   0.62064314  0.17693412  0.48757026
   0.86676232  0.09023898  0.88709538
   0.58204904  0.43334245  0.61104865
   0.74030171  0.33901823  0.79207571
   0.60003523  0.69030149 -0.00659563
   0.91747092  0.60654606  0.37289903
   0.57291020  0.91274408  0.13382359
   0.80760861  0.85796540  0.26620001
   0.64565661  0.65758584  0.45870564
   0.85540973  0.60228607  0.87562905
   0.62049133  0.92780513  0.62833744
   0.83625371  0.85486784  0.75539553
   0.09250797  0.07582334  0.16107817
   0.35474342  0.16926468  0.27688469
   0.12007868  0.32411732  0.01839453
   0.33636753  0.44288677  0.33224085
   0.53583785  0.38743070  0.22513284
   0.29979299  0.37334354  0.15005887
   0.26959724  0.09953384  0.45181128
   0.02472975  0.15119955  0.38842375
   0.06881969  0.07290083  0.57772026
   0.46395812  0.26165895  0.77345907
   0.14032649  0.31369514  0.51611052
   0.35777266  0.47551804  0.86155030
   0.44628900  0.47766478  0.66548341
   0.21894826  0.36470729  0.70801869
   0.28254879  0.22479753 -0.10285672
   0.02454114  0.14128716  0.91071318
   0.09373736  0.56302932  0.09849097
   0.39512064  0.68805901  0.26314580
   0.08997342  0.83890258  0.05250854
   0.39052395  0.91856021  0.32970725
   0.41294573  0.89488747  0.14584942
   0.17398350  0.84909000  0.23077492
   0.32836662  0.64755857  0.44975323
   0.08209291  0.62720276  0.38706206
   0.15464240  0.55802385  0.57660112
   0.29031839  0.68276572  0.77099558
   0.13616269  0.82571645  0.52117034
   0.37162706  1.00013327  0.81239180
   0.45414823  0.90999238  0.63242554
   0.18390683  0.90434945  0.69781023
   0.25253126  0.68016121 -0.02968917
   0.00135246  0.63053227  0.93158493
   0.59829186  0.06916363  0.10941841
   0.81779373  0.19756752  0.25290507
   0.58004078  0.31978265  0.03924865
   0.90626278  0.44750835  0.34230606
   0.03951679  0.34663459  0.19434698
   0.77548316  0.42232275  0.14768046
   0.76893323  0.19447156  0.43760399
   0.53221350  0.11277653  0.40489362
   0.64936029  0.06902144  0.57671997
   0.80828809  0.18578308  0.79478997
   0.55149476  0.31239550  0.52998640
   0.82901873  0.44843310  0.84455925
   0.96849633  0.41835483  0.65563178
   0.69465300  0.35778761  0.67698887
   0.78063989  0.14572779  0.97352209
   0.54122657  0.10004397  0.92276440
   0.55475251  0.57898155  0.07932932
   0.88874185  0.71195671  0.28761427
   0.63547550  0.83289169  0.03931289
   0.83883883  0.96438125  0.35440677
   0.90301351  0.90963847  0.17037020
   0.65505055  0.84864518  0.23001053
   0.81178586  0.63953354  0.45775046
   0.57049977  0.55219382  0.38297239
   0.61934157  0.57195916  0.56066030
   0.83837450  0.69917744  0.78205145
   0.60895238  0.81703790  0.43360685
   0.87898494  0.93963811  0.85218963
   0.93400714  0.86538511  0.65818518
   0.68827786  0.92541173  0.73661120
   0.74955374  0.65121598  0.95040860
   0.48512623  0.67922010  0.91439603
   0.68867862  0.80200088  0.59047712
   0.52702089  0.84143667  0.38723204
   0.90507134  0.20664073  0.09481141
   0.98567327  0.39775678  0.36579714
   0.29812123  0.11593603  0.64891409
   0.23800244  0.78069381  0.76012620
   0.02155452  1.14296362  0.12916055
   0.20505314  1.05749182  0.01575456
   0.61653100  0.35140080  0.85147827
   0.90416953  0.40431922  0.60979366
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953628    0.313503   -0.080854
    -0.000000    9.830881    0.065696
    -0.000000    0.000000   13.839471
   Si   O    H 
    32    64    10
Direct configuration=   744
   0.16034222  0.18491489 -0.02945569
   0.38584817  0.07575388  0.37452757
   0.14063014  0.40862091  0.11762243
   0.38638801  0.33757631  0.24503040
   0.12084327  0.15897659  0.48376176
   0.41596235  0.14823230  0.85038999
   0.11780435  0.40536935  0.61254610
   0.36462462  0.39626527  0.75447841
   0.10494053  0.68173547  0.00904928
   0.41043739  0.58012646  0.35573653
   0.06421417  0.92296799  0.15169217
   0.33483566  0.83681751  0.24182721
   0.17491311  0.66183590  0.48544920
   0.33931478  0.63135792  0.87587966
   0.07565041  0.91081737  0.61194864
   0.33528540  0.99595488  0.69722775
   0.62324183  0.15742638  1.00990799
   0.87455115  0.12465121  0.36103298
   0.60601881  0.42474296  0.11982069
   0.88188738  0.29644439  0.17562865
   0.62017560  0.17640126  0.48771059
   0.86557977  0.08889172  0.88694500
   0.58068206  0.43326641  0.61048449
   0.73922741  0.33907342  0.79193403
   0.60016598  0.68979180 -0.00620080
   0.91801324  0.60649487  0.37265906
   0.57262690  0.91285331  0.13358497
   0.80762132  0.85821018  0.26629252
   0.64423855  0.65840374  0.45909825
   0.85543211  0.60319411  0.87567652
   0.62107619  0.92851176  0.62806015
   0.83693449  0.85517245  0.75655412
   0.09264683  0.07706655  0.16013115
   0.35530878  0.16836096  0.27814364
   0.12132034  0.32511207  0.01793295
   0.33725836  0.44265986  0.33182573
   0.53695311  0.38865539  0.22486662
   0.30061974  0.37278171  0.14984865
   0.26879657  0.09926768  0.45167154
   0.02628953  0.15266602  0.38911114
   0.06940954  0.07258333  0.57697729
   0.46100163  0.26164157  0.77395213
   0.14023751  0.31584975  0.51457015
   0.35902691  0.47505892  0.86088370
   0.44492144  0.47795750  0.66615320
   0.21828219  0.36678180  0.70929155
   0.28499651  0.22623933 -0.10360782
   0.02610849  0.14239221  0.91055861
   0.09301977  0.56380966  0.09839880
   0.39461141  0.68659782  0.26433879
   0.08806628  0.84063999  0.05044509
   0.39133686  0.91881292  0.33055808
   0.41364839  0.89503188  0.14482930
   0.17621416  0.84709471  0.23160418
   0.32729613  0.64632132  0.44926614
   0.08084238  0.62873914  0.38650069
   0.15440681  0.55710513  0.57433138
   0.28998298  0.68133526  0.77160286
   0.13594657  0.82318176  0.52118303
   0.37058121  1.00198160  0.81214566
   0.45426239  0.91001325  0.63328071
   0.18633502  0.90480436  0.69889280
   0.25319024  0.67940585 -0.02904495
   0.00093439  0.63237072  0.93215219
   0.59907879  0.06880272  0.10937971
   0.81886810  0.19550343  0.25304261
   0.58003996  0.31738537  0.03839253
   0.90576279  0.44557222  0.34163123
   0.03872855  0.34919022  0.19602546
   0.77498481  0.42109451  0.14688488
   0.76997607  0.19532167  0.43719191
   0.53174122  0.11127747  0.40658414
   0.64852876  0.06840211  0.57589797
   0.80817750  0.18563762  0.79401780
   0.54994258  0.31269167  0.53053005
   0.82751449  0.44706624  0.84419604
   0.96993423  0.41694249  0.65593183
   0.69497707  0.35941705  0.67873571
   0.78133987  0.14578206  0.97444938
   0.54226811  0.09943887  0.92379911
   0.55345334  0.57786839  0.07876108
   0.88796859  0.71190264  0.28828020
   0.63656994  0.83356069  0.04004761
   0.83707346  0.96495354  0.35412523
   0.90278990  0.90817764  0.17003573
   0.65530724  0.84831131  0.22971709
   0.81184790  0.63997517  0.45654357
   0.57036292  0.55228189  0.38247713
   0.62046905  0.57134545  0.56032231
   0.84011718  0.69876986  0.78162224
   0.60728153  0.81558101  0.43414852
   0.88091001  0.93682091  0.85173907
   0.93316477  0.86566201  0.65800593
   0.68805988  0.92769712  0.73599291
   0.74982064  0.64946827  0.95095554
   0.48468026  0.67951535  0.91582728
   0.68715627  0.80154623  0.58865638
   0.52695738  0.84101855  0.39091533
   0.90052968  0.20742460  0.08932129
   0.99163813  0.40161721  0.36329446
   0.29655179  0.12330064  0.64089545
   0.23323035  0.78084097  0.75734047
   0.02127922  1.14203870  0.12709017
   0.20976286  1.06139601  0.01532791
   0.62772201  0.34875470  0.85417621
   0.89561069  0.40910761  0.60359917
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953424    0.313645   -0.078296
    -0.000000    9.832673    0.064031
    -0.000000    0.000000   13.839956
   Si   O    H 
    32    64    10
Direct configuration=   745
   0.16226887  0.18350639 -0.02891338
   0.38599371  0.07545986  0.37486961
   0.14093626  0.40874844  0.11758096
   0.38694375  0.33746277  0.24546522
   0.11975410  0.15755148  0.48303191
   0.41550059  0.14761238  0.85036385
   0.11801125  0.40616380  0.61410781
   0.36534668  0.39671022  0.75291833
   0.10452108  0.68244579  0.00880524
   0.41037127  0.58019450  0.35579938
   0.06414006  0.92254399  0.15215382
   0.33363544  0.83823220  0.24205965
   0.17357554  0.66182795  0.48582251
   0.34021439  0.63342971  0.87618516
   0.07576545  0.91108840  0.61187235
   0.33552445  0.99575858  0.69675187
   0.62301595  0.15969240  1.00983401
   0.87473840  0.12415223  0.36157689
   0.60689929  0.42607772  0.12031053
   0.88202707  0.29524753  0.17577131
   0.62031479  0.17611574  0.48792686
   0.86512457  0.08818949  0.88654630
   0.57958181  0.43337174  0.60989177
   0.73816361  0.33874908  0.79167299
   0.60021901  0.68951180 -0.00546116
   0.91837108  0.60637446  0.37248667
   0.57239405  0.91292860  0.13364583
   0.80781508  0.85804795  0.26647282
   0.64286708  0.65869478  0.45949802
   0.85541673  0.60317187  0.87593915
   0.62142897  0.92896965  0.62790626
   0.83739569  0.85615897  0.75739520
   0.09220353  0.07862335  0.15891152
   0.35611398  0.16877288  0.27911356
   0.12226756  0.32593122  0.01767593
   0.33842855  0.44182046  0.33133849
   0.53683750  0.38941910  0.22510477
   0.30134812  0.37232738  0.14981383
   0.26855252  0.09959342  0.45193787
   0.02768829  0.15380363  0.38945136
   0.06953414  0.07230389  0.57621020
   0.45758739  0.26154758  0.77451153
   0.14069413  0.31778196  0.51244498
   0.35995169  0.47400160  0.86035451
   0.44327332  0.47759732  0.66692344
   0.21745285  0.36858510  0.71034343
   0.28714228  0.22745669 -0.10379607
   0.02728778  0.14224607  0.91009367
   0.09236404  0.56462290  0.09803074
   0.39509265  0.68425988  0.26559458
   0.08598639  0.84238812  0.04795459
   0.39201975  0.91909321  0.33146943
   0.41362521  0.89551776  0.14406466
   0.17784221  0.84568337  0.23321854
   0.32653100  0.64537623  0.44904145
   0.08019795  0.63077625  0.38624662
   0.15425347  0.55701352  0.57203476
   0.28929130  0.68099688  0.77172247
   0.13595793  0.82098234  0.52106059
   0.36923380  1.00340613  0.81168252
   0.45418690  0.91071488  0.63445143
   0.18910830  0.90580970  0.70028539
   0.25380360  0.67913111 -0.02869372
   0.00046277  0.63405221  0.93251143
   0.59957627  0.06932062  0.10938610
   0.81998295  0.19375377  0.25401205
   0.58050934  0.31471130  0.03738627
   0.90514927  0.44461371  0.34099813
   0.03826007  0.35128647  0.19810360
   0.77388806  0.42033046  0.14617322
   0.77095418  0.19657431  0.43687020
   0.53033984  0.10901348  0.40836029
   0.64703732  0.06865813  0.57500851
   0.80811508  0.18494517  0.79337321
   0.54882727  0.31356713  0.53135428
   0.82662200  0.44636451  0.84378970
   0.96984910  0.41513030  0.65653003
   0.69558803  0.36120875  0.68086815
   0.78142778  0.14556731  0.97521340
   0.54301730  0.09891294  0.92484547
   0.55159335  0.57668402  0.07816958
   0.88660670  0.71255663  0.28880793
   0.63723922  0.83488066  0.04116979
   0.83516792  0.96511966  0.35348152
   0.90208484  0.90735605  0.16975513
   0.65561377  0.84840664  0.22981379
   0.81202408  0.64011151  0.45588747
   0.56900178  0.55222148  0.38193213
   0.62272006  0.57151152  0.56030635
   0.84173860  0.69790937  0.78108129
   0.60583489  0.81311717  0.43456357
   0.88339075  0.93405831  0.85153252
   0.93230198  0.86567394  0.65805291
   0.68814219  0.92952023  0.73577339
   0.74900685  0.64750231  0.95193684
   0.48423476  0.67922976  0.91681774
   0.68370364  0.80460059  0.58774250
   0.53218974  0.83779220  0.39449054
   0.89763777  0.21038863  0.08382002
   0.99300408  0.40474221  0.35955292
   0.30013262  0.12735712  0.63804875
   0.23559347  0.76924571  0.75525584
   0.02564990  1.13745970  0.12999304
   0.21536031  1.06209511  0.01792511
   0.63502342  0.34858547  0.85821510
   0.89288659  0.41578667  0.60487493
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953300    0.313483   -0.075968
    -0.000000    9.834419    0.062311
    -0.000000    0.000000   13.840488
   Si   O    H 
    32    64    10
Direct configuration=   746
   0.16343759  0.18194519 -0.02891351
   0.38646671  0.07511819  0.37514927
   0.14055912  0.40824520  0.11769372
   0.38707063  0.33703312  0.24605920
   0.11928366  0.15621390  0.48232339
   0.41563624  0.14717502  0.85052283
   0.11790333  0.40659225  0.61547329
   0.36623880  0.39707783  0.75177534
   0.10395502  0.68324039  0.00883818
   0.41053086  0.57993549  0.35593795
   0.06342505  0.92153906  0.15252798
   0.33298687  0.83894264  0.24207676
   0.17229782  0.66209523  0.48649452
   0.34065772  0.63585270  0.87664427
   0.07647292  0.91113125  0.61168877
   0.33519797  0.99526946  0.69625636
   0.62304334  0.16126466  1.00979307
   0.87432941  0.12335740  0.36187983
   0.60789809  0.42735146  0.12043940
   0.88176071  0.29455334  0.17536886
   0.62024827  0.17644814  0.48809348
   0.86551671  0.08796160  0.88624325
   0.57845321  0.43349380  0.60925421
   0.73740469  0.33845559  0.79149516
   0.60073287  0.68926988 -0.00448469
   0.91860361  0.60661355  0.37246362
   0.57209918  0.91309849  0.13378312
   0.80801063  0.85813394  0.26625878
   0.64188418  0.65859938  0.45964383
   0.85593879  0.60346422  0.87582238
   0.62127378  0.93040115  0.62762163
   0.83750671  0.85691292  0.75806451
   0.09283400  0.07975106  0.15808986
   0.35755888  0.17007124  0.28006608
   0.12296387  0.32688123  0.01722232
   0.33961513  0.44037283  0.33000406
   0.53694521  0.39037807  0.22485581
   0.30141831  0.37222974  0.14967439
   0.26843724  0.09921841  0.45291755
   0.02911738  0.15495810  0.38946086
   0.06917691  0.07163942  0.57548784
   0.45474198  0.26103931  0.77535198
   0.14116404  0.31901056  0.51107468
   0.36119432  0.47258435  0.85974639
   0.44246959  0.47673405  0.66776270
   0.21615565  0.37009906  0.71168001
   0.28885807  0.22724062 -0.10346539
   0.02795108  0.14176156  0.91071984
   0.09148219  0.56581702  0.09784004
   0.39595396  0.68218718  0.26677953
   0.08379364  0.84384160  0.04584709
   0.39311457  0.91922522  0.33219210
   0.41357829  0.89626271  0.14393433
   0.17835097  0.84400908  0.23458963
   0.32509963  0.64487272  0.44934371
   0.07983432  0.63309299  0.38612156
   0.15416932  0.55637949  0.57036220
   0.28757198  0.68119510  0.77055291
   0.13595054  0.81870075  0.52140871
   0.36827827  1.00424581  0.81098159
   0.45407554  0.91107183  0.63506566
   0.19137534  0.90762229  0.70189683
   0.25489403  0.67829692 -0.02823826
  -0.00027365  0.63543066  0.93235510
   0.60005351  0.07034069  0.10980386
   0.82185295  0.19179368  0.25571695
   0.58114244  0.31253299  0.03682755
   0.90411553  0.44462870  0.34002040
   0.03672777  0.35347009  0.20052449
   0.77223326  0.42016884  0.14566287
   0.77101069  0.19764500  0.43742673
   0.52902159  0.10757199  0.40961938
   0.64565799  0.06932421  0.57399155
   0.80846421  0.18430507  0.79223469
   0.54760997  0.31451875  0.53164174
   0.82609736  0.44687399  0.84354138
   0.96875407  0.41322529  0.65644124
   0.69709051  0.36434565  0.68219357
   0.78086602  0.14513257  0.97609204
   0.54285139  0.09873569  0.92525631
   0.55019855  0.57479124  0.07740704
   0.88448291  0.71409112  0.28894077
   0.63660813  0.83543424  0.04275170
   0.83413500  0.96488271  0.35351082
   0.90139293  0.90569283  0.17002839
   0.65566248  0.84828782  0.22982268
   0.81126167  0.64044678  0.45482630
   0.56694924  0.55258760  0.38157232
   0.62481435  0.57245002  0.56034442
   0.84340135  0.69689159  0.78006373
   0.60502105  0.81060222  0.43477137
   0.88500768  0.93186196  0.85146200
   0.93132518  0.86593349  0.65838392
   0.68849680  0.93166508  0.73536907
   0.74774521  0.64544748  0.95391096
   0.48292824  0.68005397  0.91737769
   0.68210968  0.80724763  0.58740866
   0.53169287  0.83889962  0.39083999
   0.89622456  0.21650080  0.08168749
   0.99134541  0.40624358  0.35398739
   0.30755323  0.12815983  0.63912916
   0.24016960  0.75484960  0.75363043
   0.02633345  1.14195554  0.12796230
   0.22088819  1.05953837  0.02198451
   0.63384190  0.34547533  0.86561918
   0.89957664  0.41814083  0.61150704
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952934    0.312670   -0.073488
    -0.000000    9.836026    0.060202
    -0.000000    0.000000   13.841650
   Si   O    H 
    32    64    10
Direct configuration=   747
   0.16454169  0.18054505 -0.02874321
   0.38644513  0.07522319  0.37495579
   0.13999719  0.40718259  0.11783280
   0.38696388  0.33686285  0.24696339
   0.11893210  0.15522704  0.48183255
   0.41602448  0.14710446  0.85145754
   0.11814427  0.40710856  0.61671077
   0.36672436  0.39765732  0.75105840
   0.10355897  0.68416293  0.00932693
   0.41025585  0.57947664  0.35666386
   0.06210817  0.92037979  0.15262975
   0.33317295  0.83909713  0.24204892
   0.17129655  0.66260836  0.48694913
   0.34085248  0.63860122  0.87711101
   0.07726021  0.91160780  0.61154350
   0.33428737  0.99510411  0.69525709
   0.62325378  0.16253287  1.01010813
   0.87342005  0.12268233  0.36222694
   0.60912142  0.42884741  0.12103107
   0.88163240  0.29462498  0.17491579
   0.62005661  0.17657309  0.48844062
   0.86593438  0.08836140  0.88578028
   0.57759251  0.43325355  0.60885127
   0.73684391  0.33756765  0.79113395
   0.60188492  0.68888739 -0.00354328
   0.91917261  0.60650525  0.37277487
   0.57173417  0.91337309  0.13391384
   0.80820488  0.85801420  0.26560901
   0.64126827  0.65786385  0.45930912
   0.85664706  0.60390198  0.87615027
   0.62045194  0.93154468  0.62742516
   0.83779331  0.85734602  0.75809736
   0.09319838  0.07998973  0.15710608
   0.35908908  0.17194394  0.28115407
   0.12380729  0.32821959  0.01749564
   0.34055608  0.43886877  0.32895837
   0.53714668  0.39103267  0.22474290
   0.30105758  0.37232999  0.14911952
   0.26835483  0.09840286  0.45370036
   0.02989700  0.15651357  0.38953436
   0.06848023  0.07075645  0.57511210
   0.45176006  0.26074703  0.77572090
   0.14158282  0.31999057  0.51050106
   0.36173287  0.47084823  0.85902323
   0.44202840  0.47525847  0.66852258
   0.21510768  0.37164178  0.71215648
   0.28980827  0.22653523 -0.10276042
   0.02763967  0.14074537  0.91181241
   0.09028934  0.56697256  0.09794990
   0.39599920  0.68093450  0.26738208
   0.08196822  0.84509775  0.04417088
   0.39421971  0.91930197  0.33342695
   0.41388626  0.89707879  0.14423537
   0.17675465  0.84266664  0.23516255
   0.32388757  0.64483348  0.45011950
   0.07943103  0.63501192  0.38612242
   0.15446027  0.55677831  0.56998178
   0.28669864  0.67976317  0.76967523
   0.13534757  0.81701314  0.52163827
   0.36758977  1.00489775  0.81083855
   0.45425663  0.91155560  0.63510238
   0.19349924  0.91008684  0.70299757
   0.25549036  0.67757646 -0.02789537
  -0.00147591  0.63638554  0.93167751
   0.60003629  0.07161695  0.11063818
   0.82369843  0.19048006  0.25754768
   0.58126682  0.30952879  0.03638060
   0.90380348  0.44553564  0.33875831
   0.03623336  0.35523690  0.20236924
   0.76957084  0.42068792  0.14532683
   0.77108087  0.19896777  0.43795420
   0.52894050  0.10655949  0.41047274
   0.64452027  0.06997879  0.57276746
   0.80881919  0.18344642  0.79149431
   0.54653668  0.31589269  0.53221883
   0.82680774  0.44781268  0.84284850
   0.96830676  0.41059737  0.65655683
   0.69841319  0.36791753  0.68299066
   0.78026955  0.14441642  0.97699804
   0.54249446  0.09879582  0.92513858
   0.54916825  0.57264777  0.07637188
   0.88239416  0.71547259  0.28917912
   0.63674363  0.83587735  0.04380354
   0.83292940  0.96466463  0.35320105
   0.90070078  0.90457603  0.17066069
   0.65459446  0.84795534  0.23021882
   0.80989703  0.64040950  0.45396030
   0.56510865  0.55300250  0.38145338
   0.62728155  0.57348574  0.56041324
   0.84486498  0.69553879  0.77938541
   0.60468329  0.80791849  0.43495700
   0.88640903  0.93016301  0.85135788
   0.93082135  0.86630843  0.65834262
   0.68884452  0.93324736  0.73479867
   0.74678858  0.64316963  0.95627013
   0.48257539  0.68143465  0.91761400
   0.67919740  0.80701605  0.58858112
   0.53437581  0.84438065  0.38401317
   0.89213378  0.22096284  0.08319559
   0.99514984  0.40446378  0.35071682
   0.31341446  0.12599687  0.64351968
   0.23131993  0.76073014  0.74730723
   0.02340710  1.14662860  0.12629158
   0.22487992  1.05977152  0.02634540
   0.63009217  0.34855338  0.87122540
   0.89622717  0.42205667  0.61259966
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952684    0.312040   -0.071227
    -0.000000    9.837919    0.057391
    -0.000000    0.000000   13.842994
   Si   O    H 
    32    64    10
Direct configuration=   748
   0.16550668  0.17907492 -0.02833977
   0.38560478  0.07568694  0.37426050
   0.13936465  0.40641997  0.11777096
   0.38672860  0.33691933  0.24783635
   0.11862230  0.15514483  0.48147584
   0.41616019  0.14648995  0.85274367
   0.11890454  0.40719621  0.61722303
   0.36712516  0.39797147  0.75064371
   0.10315008  0.68444865  0.01029744
   0.40994553  0.57901747  0.35746078
   0.06135866  0.91895841  0.15254889
   0.33359094  0.83911926  0.24221851
   0.17079650  0.66297770  0.48710348
   0.34078261  0.64101942  0.87736140
   0.07778876  0.91165347  0.61165125
   0.33370456  0.99497126  0.69389647
   0.62342489  0.16256864  1.00994742
   0.87214915  0.12235652  0.36235043
   0.60995779  0.42993411  0.12138377
   0.88160483  0.29421201  0.17454696
   0.62009932  0.17658421  0.48870815
   0.86625149  0.08863103  0.88517583
   0.57657977  0.43257253  0.60887576
   0.73599944  0.33692268  0.79111274
   0.60303625  0.68920416 -0.00257511
   0.91935685  0.60589419  0.37285565
   0.57172943  0.91392461  0.13425795
   0.80836132  0.85773085  0.26527627
   0.64143503  0.65675242  0.45911843
   0.85750277  0.60366474  0.87639607
   0.61927062  0.93245635  0.62757444
   0.83769962  0.85793955  0.75790635
   0.09299740  0.08007321  0.15629545
   0.35999697  0.17469231  0.28223452
   0.12390204  0.32937498  0.01750220
   0.34162371  0.43685788  0.32820602
   0.53849247  0.39157260  0.22481855
   0.30001218  0.37356206  0.14929640
   0.26909296  0.09784716  0.45423370
   0.03018266  0.15752763  0.38938927
   0.06745339  0.06977882  0.57522946
   0.45018193  0.26103274  0.77542703
   0.14223383  0.31963714  0.51041832
   0.36211716  0.46851117  0.85797223
   0.44168641  0.47291336  0.66857635
   0.21373136  0.37269048  0.71253960
   0.29082504  0.22539352 -0.10231278
   0.02726769  0.13931272  0.91303309
   0.08875967  0.56796687  0.09813488
   0.39590339  0.67970909  0.26754028
   0.08015800  0.84688705  0.04327256
   0.39512063  0.91931768  0.33488113
   0.41317316  0.89765642  0.14423129
   0.17343244  0.84281772  0.23545211
   0.32270910  0.64523204  0.45082759
   0.07936473  0.63676651  0.38697240
   0.15488350  0.55677365  0.57059653
   0.28578693  0.67779090  0.76917647
   0.13342865  0.81633168  0.52227118
   0.36756098  1.00451688  0.81068715
   0.45419706  0.91155781  0.63441855
   0.19540744  0.91248876  0.70389888
   0.25651740  0.67810047 -0.02786507
  -0.00230063  0.63686236  0.93019418
   0.59978739  0.07314397  0.11147598
   0.82539111  0.18972579  0.25960652
   0.58103052  0.30715867  0.03648081
   0.90379391  0.44673448  0.33807905
   0.03536387  0.35588247  0.20350038
   0.76777839  0.42124549  0.14430885
   0.77083933  0.19962502  0.43928537
   0.52924618  0.10623947  0.41148293
   0.64466812  0.06986238  0.57208519
   0.80928055  0.18287838  0.79093218
   0.54499569  0.31706699  0.53245341
   0.82802786  0.44811495  0.84180721
   0.96779188  0.40747528  0.65609915
   0.69873783  0.37168621  0.68319054
   0.77930351  0.14298157  0.97759187
   0.54124564  0.09965486  0.92408622
   0.54869535  0.57105853  0.07542884
   0.88041349  0.71618861  0.28919040
   0.63637271  0.83611856  0.04373226
   0.83151883  0.96477450  0.35259329
   0.89973842  0.90355540  0.17065846
   0.65310430  0.84860458  0.23067511
   0.80857601  0.64018123  0.45292465
   0.56399670  0.55365582  0.38121885
   0.62830742  0.57505472  0.56028776
   0.84567499  0.69462877  0.77808649
   0.60399923  0.80609277  0.43445259
   0.88879365  0.92995496  0.85137230
   0.93039131  0.86689186  0.65780689
   0.68936117  0.93474468  0.73455687
   0.74588736  0.64116021  0.95824615
   0.48319242  0.68277649  0.91753319
   0.67562141  0.80835573  0.58882682
   0.54015331  0.84636981  0.38085021
   0.89210333  0.22218215  0.08554163
   0.99698930  0.40495717  0.34682631
   0.31843887  0.12370591  0.64798506
   0.22731372  0.76451621  0.74183268
   0.02542213  1.14453769  0.12474556
   0.22698719  1.06349427  0.03100458
   0.62995896  0.34842849  0.87240229
   0.88700675  0.42789412  0.60897574
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952995    0.311821   -0.069108
    -0.000000    9.839492    0.054941
    -0.000000    0.000000   13.844031
   Si   O    H 
    32    64    10
Direct configuration=   749
   0.16634032  0.17794502 -0.02810435
   0.38417132  0.07612784  0.37350793
   0.13860267  0.40524993  0.11751972
   0.38687646  0.33694976  0.24870771
   0.11898176  0.15515859  0.48175010
   0.41592614  0.14591494  0.85382777
   0.12003852  0.40803932  0.61804903
   0.36649669  0.39807821  0.75078558
   0.10247960  0.68534047  0.01089526
   0.40926578  0.57906638  0.35804548
   0.06018014  0.91815333  0.15240444
   0.33431806  0.83898264  0.24207524
   0.17051316  0.66372891  0.48717812
   0.34072960  0.64297316  0.87719673
   0.07794136  0.91147870  0.61170731
   0.33378471  0.99485786  0.69274832
   0.62364219  0.16204878  1.01034272
   0.87117562  0.12255735  0.36244519
   0.61031936  0.43085639  0.12164583
   0.88182463  0.29403706  0.17376530
   0.62096031  0.17708603  0.48898994
   0.86645488  0.08874697  0.88464075
   0.57646647  0.43261174  0.60905187
   0.73550148  0.33671701  0.79152802
   0.60417747  0.68959262 -0.00153220
   0.91973420  0.60586461  0.37288428
   0.57172109  0.91443745  0.13443606
   0.80815155  0.85807909  0.26484440
   0.64156990  0.65499276  0.45903728
   0.85770778  0.60297614  0.87666938
   0.61685288  0.93317032  0.62746427
   0.83799208  0.85827014  0.75784977
   0.09277882  0.08044878  0.15582618
   0.36118696  0.17791733  0.28299112
   0.12405125  0.32998493  0.01771780
   0.34339023  0.43646288  0.32793295
   0.53984791  0.39198246  0.22465184
   0.29845751  0.37498025  0.14935757
   0.26984103  0.09726292  0.45468062
   0.02961243  0.15810700  0.38898199
   0.06576112  0.06843442  0.57482956
   0.44893423  0.26115139  0.77513871
   0.14211133  0.31883322  0.51062611
   0.36237246  0.46660769  0.85685466
   0.44149575  0.47044144  0.66799197
   0.21138786  0.37348522  0.71267260
   0.29131785  0.22465855 -0.10114543
   0.02692057  0.13802625  0.91424626
   0.08754273  0.56889752  0.09824823
   0.39470804  0.67948137  0.26702060
   0.07789017  0.84797367  0.04303806
   0.39568614  0.91992705  0.33666478
   0.41237421  0.89731848  0.14464800
   0.17052067  0.84322220  0.23535653
   0.32284133  0.64514010  0.45135677
   0.07902500  0.63870224  0.38782770
   0.15493097  0.55699566  0.57144669
   0.28387527  0.67740026  0.76833857
   0.13188548  0.81616557  0.52286363
   0.36742318  1.00390660  0.81000584
   0.45390791  0.91116171  0.63375794
   0.19648261  0.91493509  0.70450867
   0.25732207  0.67835240 -0.02789158
  -0.00345945  0.63684859  0.92881178
   0.59976957  0.07526176  0.11217239
   0.82717205  0.18969606  0.26117696
   0.58078103  0.30651277  0.03717908
   0.90563868  0.44849407  0.33760470
   0.03429886  0.35608800  0.20459628
   0.76646788  0.42242644  0.14399492
   0.77081595  0.20065087  0.44032001
   0.52885933  0.10598193  0.41216746
   0.64480605  0.07141868  0.57229834
   0.80977782  0.18108342  0.79028338
   0.54406290  0.31794784  0.53257139
   0.82939474  0.44762695  0.84124324
   0.96685110  0.40377291  0.65553258
   0.69838698  0.37522697  0.68293848
   0.77882299  0.14092562  0.97751186
   0.53909415  0.10062695  0.92227552
   0.54838642  0.56953880  0.07477529
   0.87815441  0.71557438  0.28929164
   0.63610031  0.83582389  0.04377258
   0.82976715  0.96519536  0.35260645
   0.89937362  0.90362312  0.17056467
   0.65171963  0.85063780  0.23054840
   0.80708448  0.64065271  0.45164319
   0.56344235  0.55570491  0.38170441
   0.62869706  0.57577608  0.56057193
   0.84637936  0.69377803  0.77787575
   0.60223263  0.80487575  0.43341467
   0.89159844  0.93020246  0.85236809
   0.93128639  0.86664592  0.65717185
   0.68963778  0.93573233  0.73436805
   0.74565511  0.63953445  0.95957904
   0.48466959  0.68488010  0.91746446
   0.67456036  0.80626552  0.58792141
   0.55001521  0.84151409  0.38596644
   0.89165023  0.22583366  0.08461140
   0.99042005  0.40806695  0.34159286
   0.32265147  0.12457284  0.64851880
   0.23284983  0.76252725  0.74308373
   0.03103506  1.14355606  0.12621909
   0.22786120  1.06977128  0.03386611
   0.62913420  0.34543119  0.86918298
   0.88709465  0.43485724  0.61120174
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953743    0.311647   -0.066795
    -0.000000    9.840798    0.053006
    -0.000000    0.000000   13.845572
   Si   O    H 
    32    64    10
Direct configuration=   750
   0.16744537  0.17732056 -0.02767785
   0.38334643  0.07662922  0.37258352
   0.13774539  0.40469954  0.11726923
   0.38676052  0.33662591  0.24904067
   0.12014970  0.15571937  0.48267095
   0.41566037  0.14543607  0.85466996
   0.12100337  0.40860143  0.61869265
   0.36571234  0.39782910  0.75139870
   0.10191885  0.68581254  0.01139621
   0.40839620  0.57929215  0.35854047
   0.05950759  0.91705289  0.15238339
   0.33536194  0.83831905  0.24210372
   0.17016491  0.66399586  0.48708414
   0.34056242  0.64412826  0.87689935
   0.07778327  0.91139986  0.61209356
   0.33469247  0.99508316  0.69189833
   0.62392901  0.16051902  1.01049105
   0.87070738  0.12267712  0.36272452
   0.61041326  0.43183821  0.12215530
   0.88193024  0.29433226  0.17340764
   0.62199164  0.17681155  0.48959767
   0.86666592  0.08904598  0.88398471
   0.57644933  0.43303123  0.60897825
   0.73562769  0.33631503  0.79233629
   0.60453852  0.69002837 -0.00094317
   0.92059630  0.60590629  0.37281419
   0.57205710  0.91469466  0.13461080
   0.80810374  0.85885904  0.26455704
   0.64203086  0.65346912  0.45848478
   0.85834812  0.60199595  0.87673049
   0.61482862  0.93344241  0.62735962
   0.83814540  0.85794775  0.75762941
   0.09399832  0.08050448  0.15578455
   0.36201682  0.18148964  0.28337789
   0.12343859  0.32955956  0.01791116
   0.34452112  0.43644318  0.32794031
   0.54025150  0.39294628  0.22454179
   0.29665493  0.37716354  0.14948983
   0.27060206  0.09711620  0.45587104
   0.02900486  0.15825383  0.38830529
   0.06420174  0.06758126  0.57440360
   0.44754063  0.26121846  0.77488482
   0.14143732  0.31766642  0.51075086
   0.36182642  0.46560323  0.85668728
   0.44205892  0.46868915  0.66710811
   0.20911571  0.37407129  0.71325763
   0.29147262  0.22426455 -0.09957042
   0.02627656  0.13676301  0.91547979
   0.08605093  0.57026637  0.09810570
   0.39289851  0.68017200  0.26537194
   0.07534758  0.84886432  0.04336629
   0.39655567  0.92050815  0.33841148
   0.41127121  0.89686568  0.14513329
   0.16674749  0.84478045  0.23479477
   0.32285922  0.64439336  0.45182274
   0.07834337  0.64060215  0.38925042
   0.15416941  0.55697913  0.57175180
   0.28241006  0.67723580  0.76812118
   0.13074186  0.81609656  0.52392637
   0.36751648  1.00304206  0.80904535
   0.45375153  0.91019634  0.63308144
   0.19681151  0.91656893  0.70466658
   0.25721395  0.67825519 -0.02785291
  -0.00412671  0.63660231  0.92769414
   0.60022666  0.07746166  0.11254706
   0.82855679  0.18944450  0.26262546
   0.58015190  0.30741681  0.03833055
   0.90754989  0.45095171  0.33702877
   0.03285696  0.35639463  0.20550997
   0.76588364  0.42406675  0.14387663
   0.77086561  0.20115599  0.44066410
   0.52752283  0.10510664  0.41322750
   0.64570262  0.07236723  0.57281621
   0.81011397  0.17881969  0.78933306
   0.54303939  0.31850211  0.53233731
   0.83080360  0.44761442  0.84081523
   0.96647444  0.40092110  0.65480139
   0.69744164  0.37826003  0.68286040
   0.77933323  0.13897021  0.97714270
   0.53714913  0.10186275  0.92078860
   0.54903253  0.56884514  0.07395275
   0.87596632  0.71516836  0.28891975
   0.63569194  0.83566705  0.04335143
   0.82775310  0.96583190  0.35243011
   0.89866092  0.90348620  0.17043868
   0.65003492  0.85301450  0.23025707
   0.80526236  0.64143135  0.45001120
   0.56284422  0.55778079  0.38204793
   0.62782043  0.57583251  0.56069576
   0.84697152  0.69248867  0.77704220
   0.60114348  0.80331877  0.43241956
   0.89443035  0.93165624  0.85330681
   0.93202461  0.86644736  0.65625533
   0.69010630  0.93603746  0.73407878
   0.74634924  0.63799989  0.96087361
   0.48713196  0.68745886  0.91717480
   0.67341465  0.80598056  0.58625850
   0.55103731  0.84669671  0.38190997
   0.89598994  0.22426137  0.08198923
   0.99171934  0.40499264  0.33807441
   0.32249658  0.12951486  0.64764638
   0.24176479  0.75800921  0.74535325
   0.03094639  1.15001802  0.12840011
   0.22721550  1.07333265  0.03586068
   0.62808242  0.34090580  0.86238707
   0.89713912  0.43732060  0.61973550
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954025    0.311078   -0.064784
    -0.000000    9.841998    0.051174
    -0.000000    0.000000   13.847127
   Si   O    H 
    32    64    10
Direct configuration=   751
   0.16887473  0.17678978 -0.02682255
   0.38240604  0.07720899  0.37199691
   0.13694060  0.40459137  0.11772529
   0.38620510  0.33608374  0.24892500
   0.12125239  0.15688528  0.48371601
   0.41486237  0.14475111  0.85519699
   0.12170595  0.40917019  0.61908304
   0.36431271  0.39754316  0.75213247
   0.10150599  0.68664550  0.01196235
   0.40696381  0.57952467  0.35873498
   0.05855509  0.91648699  0.15230521
   0.33630664  0.83749049  0.24201567
   0.16952690  0.66432409  0.48703078
   0.34067636  0.64483960  0.87681390
   0.07780601  0.91124045  0.61228979
   0.33659490  0.99491446  0.69161821
   0.62423882  0.15895654  1.01081796
   0.87092421  0.12301857  0.36303950
   0.60999099  0.43180572  0.12284417
   0.88132707  0.29527649  0.17320764
   0.62287254  0.17651322  0.49034236
   0.86760948  0.09026768  0.88326689
   0.57621672  0.43342385  0.60887439
   0.73612126  0.33610271  0.79328160
   0.60459099  0.69007272 -0.00010762
   0.92093654  0.60576530  0.37274698
   0.57253561  0.91524340  0.13413873
   0.80757866  0.85945173  0.26399638
   0.64263197  0.65175425  0.45818584
   0.85825322  0.60130751  0.87657431
   0.61387361  0.93393568  0.62731689
   0.83853322  0.85756926  0.75724736
   0.09546514  0.08064905  0.15573308
   0.36247982  0.18529550  0.28370136
   0.12363416  0.32785300  0.01806805
   0.34487524  0.43712074  0.32870604
   0.54022250  0.39347047  0.22407217
   0.29504675  0.37913453  0.15009451
   0.27042306  0.09715229  0.45683933
   0.02769565  0.15832832  0.38743315
   0.06217345  0.06762075  0.57400217
   0.44659455  0.26163951  0.77509715
   0.14004393  0.31626128  0.51116120
   0.36179503  0.46541087  0.85663197
   0.44270570  0.46725256  0.66581389
   0.20677783  0.37424849  0.71350306
   0.29101252  0.22335028 -0.09738970
   0.02523908  0.13467311  0.91567348
   0.08478666  0.57015517  0.09803421
   0.39085071  0.68025213  0.26397400
   0.07271637  0.85003529  0.04427439
   0.39764052  0.92172625  0.33971918
   0.40997733  0.89606949  0.14548538
   0.16286023  0.84684594  0.23382981
   0.32316265  0.64274625  0.45238877
   0.07784152  0.64280623  0.39099330
   0.15345035  0.55786621  0.57218714
   0.28190472  0.67650770  0.76782788
   0.13004697  0.81641967  0.52472754
   0.36774567  1.00167491  0.80755226
   0.45350206  0.90992920  0.63224599
   0.19630432  0.91757663  0.70470540
   0.25609505  0.67831702 -0.02747783
  -0.00499858  0.63703835  0.92661066
   0.60071403  0.07828647  0.11293009
   0.83000311  0.18967514  0.26329280
   0.57981149  0.30996379  0.03934394
   0.90828078  0.45352931  0.33606626
   0.03181119  0.35636578  0.20613201
   0.76640967  0.42557884  0.14371329
   0.77086542  0.20162734  0.44145688
   0.52692487  0.10324876  0.41427294
   0.64713708  0.07349946  0.57369356
   0.80976957  0.17646606  0.78876541
   0.54200305  0.31863820  0.53155711
   0.83245038  0.44726658  0.84054959
   0.96691924  0.39832379  0.65483527
   0.69625587  0.38180499  0.68224568
   0.78019144  0.13750180  0.97710414
   0.53547594  0.10221974  0.91933306
   0.54906673  0.56820451  0.07286720
   0.87443031  0.71419155  0.28876439
   0.63535109  0.83562000  0.04315422
   0.82700770  0.96627762  0.35182586
   0.89814244  0.90384452  0.16991278
   0.64855076  0.85453487  0.22971470
   0.80342372  0.64198415  0.44890182
   0.56172265  0.55923740  0.38249072
   0.62717377  0.57608212  0.56115336
   0.84702339  0.69162002  0.77646804
   0.59971821  0.80243691  0.43229395
   0.89747521  0.93285053  0.85469561
   0.93348124  0.86545087  0.65551892
   0.69084146  0.93522402  0.73367355
   0.74662584  0.63629037  0.96178613
   0.48982383  0.68997036  0.91709610
   0.67644610  0.81209053  0.58619419
   0.54539216  0.85484749  0.37665519
   0.90071363  0.22316636  0.08001135
   1.00136096  0.39554695  0.33496519
   0.32252627  0.13195241  0.64713087
   0.24729155  0.76203521  0.74486422
   0.03263678  1.15573384  0.12983090
   0.23048748  1.07518801  0.03658263
   0.62535673  0.33892060  0.85745934
   0.89350985  0.44391642  0.62284793
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953989    0.310840   -0.063451
    -0.000000    9.843527    0.049231
    -0.000000    0.000000   13.848677
   Si   O    H 
    32    64    10
Direct configuration=   752
   0.17043471  0.17626092 -0.02599310
   0.38198812  0.07770680  0.37135802
   0.13642278  0.40437751  0.11784898
   0.38622158  0.33524506  0.24824941
   0.12224788  0.15813439  0.48474482
   0.41427892  0.14414852  0.85555332
   0.12218536  0.41011309  0.61899045
   0.36250964  0.39751201  0.75267286
   0.10110278  0.68771066  0.01259109
   0.40481044  0.57989410  0.35892825
   0.05736364  0.91550307  0.15208488
   0.33705671  0.83659060  0.24162127
   0.16837666  0.66500833  0.48698932
   0.34131923  0.64465159  0.87722922
   0.07796418  0.91200830  0.61287362
   0.33786632  0.99559788  0.69153089
   0.62418377  0.15791505  1.01110587
   0.87149905  0.12362297  0.36353474
   0.60912756  0.43209105  0.12342635
   0.88032691  0.29647198  0.17318645
   0.62391709  0.17695402  0.49138276
   0.86905036  0.09162782  0.88269554
   0.57607475  0.43367000  0.60875755
   0.73690083  0.33598650  0.79397426
   0.60435875  0.69020032  0.00041312
   0.92129564  0.60576396  0.37246687
   0.57277405  0.91677420  0.13341860
   0.80718534  0.86048957  0.26355624
   0.64343015  0.65023724  0.45753491
   0.85770182  0.60026793  0.87636960
   0.61326891  0.93440701  0.62746361
   0.83878961  0.85727378  0.75676253
   0.09597855  0.08019123  0.15568117
   0.36282413  0.18782694  0.28441583
   0.12315385  0.32652570  0.01831159
   0.34456872  0.43834698  0.33036910
   0.53962587  0.39368695  0.22400729
   0.29304390  0.38078982  0.15147300
   0.27037271  0.09616429  0.45708000
   0.02635062  0.15857901  0.38622213
   0.06063889  0.06811324  0.57419526
   0.44649903  0.26076450  0.77567519
   0.13886796  0.31523350  0.51211964
   0.36235197  0.46623374  0.85639810
   0.44354940  0.46582984  0.66465559
   0.20464963  0.37448640  0.71376455
   0.29007016  0.22233236 -0.09565479
   0.02383569  0.13212965  0.91561532
   0.08330266  0.56993327  0.09790207
   0.38935275  0.68078116  0.26270466
   0.07059621  0.85103769  0.04500739
   0.39830042  0.92207240  0.34112315
   0.40853459  0.89424515  0.14654969
   0.16027800  0.84908217  0.23285765
   0.32325586  0.64075793  0.45323069
   0.07713716  0.64414598  0.39317230
   0.15331985  0.55852063  0.57297383
   0.28055721  0.67631953  0.76790508
   0.12953956  0.81678831  0.52509187
   0.36817284  1.00015052  0.80616613
   0.45338133  0.91056158  0.63151825
   0.19534258  0.91898813  0.70466108
   0.25488908  0.67828708 -0.02695010
  -0.00479230  0.63733083  0.92502088
   0.60179620  0.07845610  0.11278922
   0.83132828  0.18965133  0.26344736
   0.58021560  0.31221063  0.04136521
   0.90971982  0.45493468  0.33494145
   0.03077667  0.35583513  0.20629500
   0.76712080  0.42744419  0.14338108
   0.77047155  0.20195949  0.44226781
   0.52691923  0.10172567  0.41587414
   0.64782938  0.07466010  0.57524517
   0.80948511  0.17444534  0.78839701
   0.54120933  0.31810430  0.53103715
   0.83392543  0.44658761  0.84031923
   0.96686463  0.39614651  0.65469105
   0.69567796  0.38560244  0.68146998
   0.78098048  0.13557190  0.97730325
   0.53398161  0.10229315  0.91869040
   0.54985751  0.56849803  0.07189220
   0.87293234  0.71290624  0.28849811
   0.63572789  0.83546932  0.04274131
   0.82615768  0.96706465  0.35103843
   0.89791015  0.90367791  0.16931012
   0.64755789  0.85573663  0.22961903
   0.80160825  0.64256768  0.44825620
   0.56119974  0.56111055  0.38265061
   0.62706955  0.57627689  0.56165986
   0.84662906  0.69081811  0.77609778
   0.59805802  0.80202595  0.43169871
   0.90047456  0.93379896  0.85544610
   0.93441250  0.86501216  0.65550261
   0.69229419  0.93432799  0.73338750
   0.74714863  0.63521955  0.96231739
   0.49263655  0.69274116  0.91697264
   0.68164493  0.81929432  0.58820019
   0.54536719  0.85552671  0.37655869
   0.90492910  0.22083434  0.08008453
   0.99703772  0.39433614  0.33298790
   0.31870556  0.13051835  0.64717019
   0.25042017  0.77070148  0.74264299
   0.03491488  1.15607352  0.13378184
   0.23434007  1.07498560  0.03732075
   0.62167973  0.33825788  0.85434002
   0.89099020  0.45071280  0.62635121
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953630    0.310312   -0.062640
    -0.000000    9.844777    0.047370
    -0.000000    0.000000   13.850469
   Si   O    H 
    32    64    10
Direct configuration=   753
   0.17100444  0.17538019 -0.02526364
   0.38155854  0.07856192  0.37144399
   0.13506096  0.40499572  0.11829730
   0.38661809  0.33425675  0.24724609
   0.12253494  0.15894806  0.48598932
   0.41335127  0.14336484  0.85559850
   0.12273289  0.41115886  0.61876086
   0.36031470  0.39761905  0.75282952
   0.10065648  0.68847491  0.01275321
   0.40290378  0.58061374  0.35923505
   0.05622568  0.91544854  0.15193654
   0.33760576  0.83579278  0.24166934
   0.16780946  0.66589847  0.48738547
   0.34267087  0.64372316  0.87786750
   0.07795104  0.91220355  0.61340164
   0.33870781  0.99668262  0.69171790
   0.62391756  0.15714157  1.01153414
   0.87202740  0.12414986  0.36422176
   0.60886230  0.43221117  0.12368289
   0.87943023  0.29811939  0.17285337
   0.62526912  0.17826632  0.49262661
   0.87057267  0.09264075  0.88214536
   0.57614480  0.43396932  0.60889632
   0.73845917  0.33535632  0.79424253
   0.60393232  0.69031070  0.00089682
   0.92126333  0.60663405  0.37214038
   0.57348539  0.91904452  0.13258289
   0.80729491  0.86151899  0.26313181
   0.64364213  0.64940313  0.45719422
   0.85735151  0.59966794  0.87604595
   0.61318482  0.93468394  0.62736596
   0.83927498  0.85669020  0.75673052
   0.09754538  0.08053655  0.15660553
   0.36311987  0.18986852  0.28517277
   0.12278043  0.32487240  0.01872419
   0.34372297  0.43997320  0.33183968
   0.53903946  0.39366931  0.22429562
   0.29127988  0.38277382  0.15248758
   0.26931556  0.09565403  0.45726107
   0.02462067  0.15871068  0.38461714
   0.05892132  0.06907155  0.57434122
   0.44698802  0.25960700  0.77584379
   0.13780247  0.31513073  0.51319308
   0.36283704  0.46821915  0.85594362
   0.44408012  0.46499210  0.66351594
   0.20397265  0.37461699  0.71466373
   0.28948250  0.22106575 -0.09389483
   0.02258279  0.12949046  0.91534341
   0.08172586  0.56953292  0.09779456
   0.38740763  0.68149204  0.26163299
   0.06872085  0.85161646  0.04520300
   0.39807512  0.92215580  0.34199065
   0.40846784  0.89225241  0.14785318
   0.15941081  0.85091190  0.23243472
   0.32305919  0.63940430  0.45440609
   0.07632060  0.64549239  0.39484587
   0.15293404  0.55832277  0.57362156
   0.27946540  0.67632673  0.76777228
   0.12881024  0.81687154  0.52540487
   0.36926342  0.99957033  0.80548077
   0.45348821  0.91146675  0.63029360
   0.19498441  0.91968657  0.70428617
   0.25393342  0.67794949 -0.02611644
  -0.00363578  0.63728674  0.92364549
   0.60221528  0.07870180  0.11240761
   0.83223683  0.19071900  0.26242335
   0.58192308  0.31340763  0.04301919
   0.91091689  0.45628516  0.33431652
   0.02995603  0.35565584  0.20615096
   0.76744401  0.42829223  0.14271369
   0.77034121  0.20239855  0.44300451
   0.52637938  0.10055001  0.41749726
   0.64826985  0.07565756  0.57725308
   0.80908602  0.17317439  0.78786523
   0.54022419  0.31725125  0.53006665
   0.83535342  0.44597453  0.84049150
   0.96747448  0.39562178  0.65424301
   0.69577354  0.38950856  0.68057525
   0.78166082  0.13394469  0.97710304
   0.53303284  0.10133144  0.91889750
   0.55003565  0.56921039  0.07162044
   0.87048134  0.71196583  0.28812731
   0.63594549  0.83521921  0.04189241
   0.82594807  0.96746301  0.35038386
   0.89786150  0.90351936  0.16905538
   0.64673033  0.85701250  0.22929784
   0.80052251  0.64333121  0.44774298
   0.56104681  0.56237496  0.38222537
   0.62631965  0.57603545  0.56238255
   0.84597890  0.69049266  0.77572100
   0.59607544  0.80262306  0.43137449
   0.90269149  0.93474248  0.85619646
   0.93559788  0.86477610  0.65562346
   0.69243070  0.93348811  0.73304992
   0.74811746  0.63403863  0.96280233
   0.49465665  0.69514275  0.91651998
   0.68489796  0.82280636  0.59024899
   0.55057024  0.85367796  0.38266038
   0.90381759  0.22543850  0.08126874
   0.98675093  0.39726489  0.33306059
   0.31611202  0.12849065  0.64769560
   0.25031934  0.77294328  0.74220236
   0.03824331  1.15414945  0.13965611
   0.23856817  1.07453301  0.03803938
   0.61741090  0.33967940  0.85383580
   0.89215600  0.45283935  0.62948023
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952741    0.310076   -0.062052
    -0.000000    9.846490    0.046082
    -0.000000    0.000000   13.852511
   Si   O    H 
    32    64    10
Direct configuration=   754
   0.17131152  0.17450056 -0.02518495
   0.38105281  0.07945871  0.37155979
   0.13414629  0.40603581  0.11830727
   0.38694920  0.33402560  0.24604549
   0.12205760  0.16026816  0.48704056
   0.41260078  0.14276250  0.85505248
   0.12269222  0.41213282  0.61831049
   0.35800861  0.39731597  0.75333086
   0.10002391  0.68952648  0.01304541
   0.40186742  0.58198773  0.35917160
   0.05544543  0.91562295  0.15224061
   0.33769433  0.83483423  0.24122565
   0.16762210  0.66685232  0.48775058
   0.34355632  0.64288967  0.87841254
   0.07752386  0.91275117  0.61392646
   0.33884650  0.99746048  0.69212044
   0.62365968  0.15639756  1.01151703
   0.87215954  0.12429827  0.36480028
   0.60814521  0.43187819  0.12371935
   0.87853533  0.29945642  0.17289101
   0.62663769  0.18006002  0.49387153
   0.87206900  0.09337358  0.88222928
   0.57601840  0.43476018  0.60891140
   0.74007752  0.33452178  0.79434313
   0.60373383  0.68977985  0.00099814
   0.92133843  0.60760262  0.37155862
   0.57479773  0.92137850  0.13213453
   0.80762262  0.86231931  0.26237253
   0.64384925  0.64892433  0.45715735
   0.85668320  0.59953207  0.87547056
   0.61347699  0.93479684  0.62743632
   0.84006660  0.85626176  0.75676565
   0.10007580  0.08016065  0.15809203
   0.36329988  0.19114330  0.28587209
   0.12237175  0.32327434  0.01949118
   0.34301978  0.44065122  0.33380627
   0.53830025  0.39279595  0.22459867
   0.28956134  0.38416211  0.15368388
   0.26787428  0.09474417  0.45736960
   0.02360867  0.15834984  0.38319464
   0.05815296  0.07020240  0.57483098
   0.44775755  0.25867079  0.77543806
   0.13649502  0.31574216  0.51479996
   0.36328233  0.47117689  0.85570306
   0.44345242  0.46366071  0.66289050
   0.20401675  0.37517724  0.71585737
   0.28930907  0.22036277 -0.09213205
   0.02112487  0.12734463  0.91526649
   0.08119578  0.56871723  0.09755712
   0.38595614  0.68192231  0.26083409
   0.06740353  0.85184746  0.04519814
   0.39721904  0.92331811  0.34253663
   0.40888097  0.89023345  0.14906916
   0.16037630  0.85243571  0.23279497
   0.32250947  0.63713477  0.45571095
   0.07575803  0.64646485  0.39608777
   0.15199308  0.55858736  0.57385861
   0.27855996  0.67617903  0.76716729
   0.12816878  0.81714572  0.52560321
   0.37102156  0.99935448  0.80540494
   0.45325784  0.91251234  0.62897053
   0.19388252  0.92097528  0.70362058
   0.25307300  0.67745446 -0.02576940
  -0.00267339  0.63767762  0.92215058
   0.60216039  0.07901138  0.11225891
   0.83218793  0.19178272  0.26118119
   0.58361484  0.31422135  0.04480413
   0.91090555  0.45830064  0.33392973
   0.02981794  0.35563851  0.20564150
   0.76772192  0.42973056  0.14233261
   0.77020970  0.20278388  0.44380347
   0.52615672  0.09924019  0.41836076
   0.64827166  0.07684043  0.57981875
   0.80845864  0.17264202  0.78754624
   0.53935232  0.31703370  0.52889081
   0.83664625  0.44600400  0.84011362
   0.96744065  0.39479679  0.65374879
   0.69653953  0.39263688  0.68026026
   0.78218286  0.13199735  0.97699301
   0.53314419  0.10049448  0.91980217
   0.55015584  0.56974293  0.07161645
   0.86852293  0.71154788  0.28799012
   0.63579646  0.83525118  0.04151856
   0.82585743  0.96762620  0.35030201
   0.89783616  0.90388187  0.16924932
   0.64608101  0.85914212  0.22915163
   0.80018758  0.64361705  0.44666159
   0.56116939  0.56341339  0.38171182
   0.62471585  0.57607139  0.56273191
   0.84488572  0.69052347  0.77512650
   0.59401852  0.80354711  0.43132938
   0.90388179  0.93532552  0.85646719
   0.93626038  0.86431181  0.65606676
   0.69254858  0.93207417  0.73369975
   0.74884359  0.63371462  0.96233930
   0.49576355  0.69744419  0.91536810
   0.68963889  0.81965926  0.58889523
   0.55137486  0.85446638  0.38454574
   0.90186883  0.23047917  0.08376728
   0.98215736  0.39539425  0.32901935
   0.31296968  0.12718330  0.64640978
   0.25271172  0.76788187  0.74502684
   0.03762956  1.15944359  0.14373268
   0.23962803  1.07269216  0.03431071
   0.61437093  0.34001680  0.85413333
   0.89396164  0.45139143  0.63111214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951438    0.309862   -0.061190
    -0.000000    9.848337    0.044882
    -0.000000    0.000000   13.854552
   Si   O    H 
    32    64    10
Direct configuration=   755
   0.17070274  0.17446867 -0.02552521
   0.38015416  0.07991324  0.37177022
   0.13309980  0.40762773  0.11863782
   0.38670140  0.33441879  0.24488625
   0.12089604  0.16168473  0.48771440
   0.41185935  0.14192001  0.85400457
   0.12252388  0.41264534  0.61751137
   0.35586849  0.39625022  0.75351460
   0.09928372  0.69067238  0.01328794
   0.40082607  0.58326347  0.35901403
   0.05487391  0.91523581  0.15230552
   0.33715625  0.83347672  0.24114677
   0.16793619  0.66689725  0.48827316
   0.34473816  0.64224627  0.87884640
   0.07746978  0.91336352  0.61494399
   0.33933271  0.99801044  0.69235385
   0.62291810  0.15550589  1.01147546
   0.87140526  0.12493300  0.36529442
   0.60790683  0.43149328  0.12349357
   0.87732844  0.30155711  0.17322730
   0.62761968  0.18152647  0.49485720
   0.87392644  0.09444922  0.88205528
   0.57649882  0.43583480  0.60862581
   0.74164121  0.33350354  0.79366190
   0.60325912  0.68874765  0.00136939
   0.92135717  0.60855017  0.37120938
   0.57670916  0.92350051  0.13167480
   0.80835933  0.86297618  0.26148246
   0.64420402  0.64907501  0.45689477
   0.85563223  0.60037484  0.87481848
   0.61420762  0.93442368  0.62778130
   0.84086075  0.85555880  0.75645247
   0.10205878  0.07916602  0.15935407
   0.36319972  0.19186692  0.28659574
   0.12214861  0.32209539  0.02034678
   0.34298731  0.44077467  0.33544069
   0.53756679  0.39273040  0.22456558
   0.28738542  0.38654687  0.15439531
   0.26798742  0.09364454  0.45740041
   0.02322420  0.15733728  0.38207788
   0.05730792  0.07124568  0.57587656
   0.44735468  0.25877578  0.77519120
   0.13554213  0.31622470  0.51648813
   0.36308689  0.47414804  0.85585480
   0.44273630  0.46263126  0.66265817
   0.20473796  0.37592156  0.71655149
   0.28919663  0.22127503 -0.09031164
   0.01976088  0.12510796  0.91525863
   0.08114303  0.56762871  0.09758650
   0.38473676  0.68285487  0.26046540
   0.06603034  0.85112439  0.04591318
   0.39589078  0.92459388  0.34270045
   0.40984802  0.88868437  0.15016103
   0.16226936  0.85328681  0.23356210
   0.32205883  0.63510610  0.45624326
   0.07550286  0.64688072  0.39735893
   0.15129008  0.55829162  0.57378534
   0.27702397  0.67628594  0.76715471
   0.12834225  0.81711567  0.52570165
   0.37264422  0.99796510  0.80590814
   0.45289774  0.91342427  0.62755340
   0.19242183  0.92174632  0.70332313
   0.25230994  0.67669291 -0.02561306
  -0.00075675  0.63827893  0.92138253
   0.60278454  0.07988182  0.11246974
   0.83253471  0.19361116  0.25948922
   0.58585544  0.31427206  0.04582652
   0.91030133  0.45991518  0.33298031
   0.02988583  0.35516513  0.20514277
   0.76961275  0.43097335  0.14221038
   0.76919115  0.20229214  0.44494422
   0.52640567  0.09761763  0.41959766
   0.64883602  0.07752081  0.58235834
   0.80800260  0.17230813  0.78752281
   0.53991647  0.31600817  0.52828611
   0.83786694  0.44555385  0.84047805
   0.96754527  0.39439788  0.65379293
   0.69892296  0.39478649  0.68002603
   0.78233637  0.13029782  0.97657140
   0.53422112  0.09930176  0.92117520
   0.55072750  0.57002999  0.07163332
   0.86683083  0.71155301  0.28792284
   0.63554425  0.83562456  0.04173047
   0.82609636  0.96823183  0.35058262
   0.89799541  0.90422635  0.16912758
   0.64608340  0.86071132  0.22906293
   0.80052513  0.64332500  0.44590078
   0.56068040  0.56449587  0.38094334
   0.62222425  0.57612622  0.56295173
   0.84446121  0.69107734  0.77495124
   0.59334939  0.80413342  0.43181415
   0.90445249  0.93465220  0.85621201
   0.93705628  0.86396268  0.65660424
   0.69233156  0.93039272  0.73436183
   0.74985152  0.63381131  0.96233632
   0.49613045  0.69983785  0.91416680
   0.69206360  0.81625199  0.58657908
   0.54539314  0.86384070  0.37959510
   0.89932885  0.23054424  0.08605566
   0.98430676  0.38972460  0.32406124
   0.30913416  0.12927126  0.64603102
   0.25491665  0.76337498  0.74850950
   0.03848672  1.16028312  0.14854678
   0.24140157  1.06757597  0.03387469
   0.61669513  0.33973510  0.85443159
   0.89355415  0.45167251  0.62968371
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950309    0.309769   -0.060019
    -0.000000    9.849895    0.044077
    -0.000000    0.000000   13.856568
   Si   O    H 
    32    64    10
Direct configuration=   756
   0.16960602  0.17355661 -0.02569557
   0.37977373  0.08048907  0.37261363
   0.13253109  0.40907203  0.11870375
   0.38646282  0.33523489  0.24361140
   0.11945016  0.16265527  0.48805715
   0.41104282  0.14103561  0.85301233
   0.12169283  0.41271875  0.61708598
   0.35420904  0.39538262  0.75305119
   0.09864558  0.69142243  0.01351971
   0.40033074  0.58422081  0.35856368
   0.05432045  0.91501187  0.15230931
   0.33617958  0.83229758  0.24081674
   0.16844688  0.66717323  0.48893826
   0.34593610  0.64104923  0.87888665
   0.07824979  0.91373553  0.61615891
   0.33911057  0.99852837  0.69277343
   0.62282121  0.15432413  1.01126337
   0.87027785  0.12640183  0.36564909
   0.60806559  0.43092145  0.12339981
   0.87530983  0.30405854  0.17396841
   0.62822343  0.18298285  0.49572671
   0.87540797  0.09546637  0.88196129
   0.57736718  0.43691763  0.60831363
   0.74263196  0.33246242  0.79274235
   0.60249811  0.68837702  0.00119203
   0.92132423  0.60946324  0.37058676
   0.57814712  0.92543306  0.13162656
   0.80866541  0.86384411  0.26049256
   0.64440153  0.64950666  0.45667245
   0.85467402  0.60149709  0.87413223
   0.61465029  0.93434576  0.62847947
   0.84201762  0.85556401  0.75586435
   0.10424394  0.07722926  0.16044169
   0.36291007  0.19192698  0.28709506
   0.12099818  0.32113729  0.02095572
   0.34230781  0.44005165  0.33713766
   0.53771743  0.39230887  0.22427491
   0.28547808  0.38845810  0.15534314
   0.26815741  0.09228029  0.45756324
   0.02424740  0.15681543  0.38123538
   0.05605313  0.07251464  0.57702151
   0.44771191  0.25936757  0.77490902
   0.13482152  0.31630849  0.51830801
   0.36277328  0.47638673  0.85610746
   0.44090203  0.46176762  0.66302364
   0.20527612  0.37698068  0.71666009
   0.28966353  0.22227752 -0.08856874
   0.02019543  0.12305939  0.91518883
   0.08101377  0.56681404  0.09703237
   0.38386209  0.68362303  0.25981572
   0.06589374  0.84977022  0.04640900
   0.39356321  0.92542505  0.34219169
   0.41144314  0.88755330  0.15053551
   0.16507907  0.85362303  0.23386608
   0.32185156  0.63266688  0.45610079
   0.07476386  0.64787526  0.39869607
   0.15106650  0.55879704  0.57400741
   0.27660598  0.67510261  0.76806734
   0.12803453  0.81756926  0.52665571
   0.37465489  0.99663525  0.80639068
   0.45167246  0.91457955  0.62628466
   0.19100713  0.92170157  0.70310563
   0.25185878  0.67609771 -0.02523961
   0.00116892  0.63896599  0.92065373
   0.60319727  0.08081968  0.11289423
   0.83272225  0.19586306  0.25763989
   0.58805391  0.31388165  0.04626077
   0.90983431  0.46063724  0.33258331
   0.03039854  0.35525349  0.20411558
   0.77101576  0.43218085  0.14201977
   0.76885309  0.20253561  0.44636609
   0.52677876  0.09618643  0.42133407
   0.64905746  0.07876806  0.58478299
   0.80711389  0.17319248  0.78729846
   0.54005516  0.31530332  0.52791838
   0.83869367  0.44509683  0.84117825
   0.96834938  0.39517788  0.65422001
   0.70191952  0.39679861  0.68030220
   0.78155431  0.12886687  0.97567931
   0.53560849  0.09818714  0.92278477
   0.55194520  0.56998467  0.07151377
   0.86465707  0.71147185  0.28743408
   0.63441645  0.83633858  0.04231416
   0.82696172  0.96880502  0.35037762
   0.89766850  0.90503889  0.16890166
   0.64638944  0.86307862  0.22906407
   0.80149295  0.64285582  0.44509313
   0.56027183  0.56504787  0.38025638
   0.61958722  0.57655607  0.56336112
   0.84373808  0.69165135  0.77511360
   0.59198599  0.80497906  0.43218096
   0.90404141  0.93249113  0.85534079
   0.93756495  0.86354272  0.65738218
   0.69186882  0.92798302  0.73518524
   0.75027822  0.63356710  0.96270019
   0.49593329  0.70209323  0.91281547
   0.69282806  0.81535236  0.58467890
   0.54451502  0.86821457  0.37920976
   0.90079570  0.22654258  0.08645759
   0.98276263  0.39239963  0.31943408
   0.30740231  0.13064293  0.64666882
   0.25142189  0.77590601  0.74801268
   0.03812120  1.15440026  0.15562408
   0.24240150  1.06479362  0.03138860
   0.62478569  0.33667107  0.85453915
   0.89603539  0.45356776  0.62624210
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948827    0.309950   -0.058719
    -0.000000    9.851785    0.043482
    -0.000000    0.000000   13.858241
   Si   O    H 
    32    64    10
Direct configuration=   757
   0.16799585  0.17245199 -0.02631086
   0.38016039  0.08088244  0.37360368
   0.13221106  0.41061503  0.11863732
   0.38602261  0.33635090  0.24255110
   0.11811835  0.16364320  0.48877003
   0.41013017  0.14019228  0.85232361
   0.12038951  0.41280043  0.61628329
   0.35286445  0.39471033  0.75210958
   0.09714740  0.69158623  0.01304583
   0.39911787  0.58484300  0.35830835
   0.05443741  0.91453922  0.15213083
   0.33435427  0.83230140  0.24102122
   0.16880045  0.66737261  0.48985699
   0.34686299  0.63973478  0.87853874
   0.07897531  0.91409202  0.61731361
   0.33941984  0.99951522  0.69313511
   0.62285813  0.15369067  1.01131578
   0.86920081  0.12793249  0.36603081
   0.60781458  0.43072141  0.12327045
   0.87295924  0.30635982  0.17471592
   0.62775547  0.18365999  0.49649715
   0.87735966  0.09612845  0.88172829
   0.57811399  0.43787558  0.60791873
   0.74357542  0.33061126  0.79200232
   0.60186582  0.68745284  0.00081001
   0.92219834  0.61067811  0.36990528
   0.57919266  0.92669068  0.13181574
   0.80910190  0.86398161  0.25960713
   0.64457214  0.64999393  0.45618373
   0.85351556  0.60297353  0.87359216
   0.61605082  0.93397413  0.62844820
   0.84324283  0.85610068  0.75530177
   0.10505752  0.07479733  0.16136198
   0.36270125  0.19093261  0.28784813
   0.11946494  0.32001027  0.02163764
   0.34156098  0.43935804  0.33831915
   0.53725952  0.39233908  0.22415112
   0.28282231  0.39043881  0.15590496
   0.26754439  0.09034202  0.45760253
   0.02607395  0.15638236  0.38150667
   0.05467564  0.07328903  0.57803623
   0.44785458  0.25977753  0.77420429
   0.13426549  0.31598044  0.52027560
   0.36196529  0.47819616  0.85666680
   0.43885483  0.46061850  0.66370749
   0.20528844  0.37725091  0.71646299
   0.29037401  0.22237929 -0.08700348
   0.02188317  0.12109483  0.91555148
   0.08105259  0.56673149  0.09649600
   0.38390051  0.68388847  0.25991361
   0.06565267  0.84850411  0.04619405
   0.39189498  0.92547734  0.34117902
   0.41399764  0.88702845  0.15075425
   0.16822096  0.85389924  0.23419064
   0.32107080  0.63121734  0.45630467
   0.07372281  0.64873743  0.40007336
   0.15055590  0.55929143  0.57447492
   0.27621481  0.67467858  0.76919710
   0.12781549  0.81754046  0.52797087
   0.37663429  0.99566576  0.80658064
   0.45116063  0.91521483  0.62515287
   0.19020177  0.92165654  0.70268631
   0.25182234  0.67540459 -0.02504109
   0.00277404  0.63892103  0.92010581
   0.60365181  0.08172773  0.11345395
   0.83317912  0.19789283  0.25615681
   0.59016483  0.31340425  0.04721276
   0.90882038  0.46055369  0.33230687
   0.03036653  0.35511664  0.20309806
   0.77268458  0.43388774  0.14186712
   0.76917152  0.20245949  0.44765273
   0.52683359  0.09580069  0.42276337
   0.64909895  0.08029843  0.58690183
   0.80633792  0.17399086  0.78751614
   0.54079153  0.31410406  0.52742041
   0.83937330  0.44513322  0.84171574
   0.96844830  0.39640377  0.65442248
   0.70559942  0.39772552  0.68038479
   0.78020096  0.12838474  0.97505329
   0.53644333  0.09741521  0.92421066
   0.55266887  0.57002497  0.07104647
   0.86229876  0.71222920  0.28648822
   0.63319230  0.83660522  0.04219438
   0.82709084  0.96932096  0.35035348
   0.89719791  0.90589678  0.16837729
   0.64761490  0.86614342  0.22879728
   0.80388739  0.64210526  0.44462695
   0.56014049  0.56504169  0.37996423
   0.61726233  0.57784250  0.56299063
   0.84331395  0.69278400  0.77480990
   0.59039003  0.80638474  0.43218897
   0.90323167  0.93042320  0.85444425
   0.93860620  0.86288016  0.65828045
   0.69196600  0.92585237  0.73574995
   0.75101039  0.63418186  0.96311041
   0.49573792  0.70454752  0.91089600
   0.69061037  0.81797328  0.58436418
   0.54666652  0.86321945  0.38528102
   0.90187870  0.22134349  0.08863608
   0.98362685  0.40157127  0.31719457
   0.30481086  0.13231980  0.64963664
   0.24948575  0.77807127  0.74930749
   0.04237838  1.14432953  0.16101111
   0.24062290  1.05804959  0.02653366
   0.63320499  0.33389782  0.85503740
   0.90078495  0.45341272  0.62474024
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947411    0.309688   -0.057892
    -0.000000    9.853476    0.042189
    -0.000000    0.000000   13.859452
   Si   O    H 
    32    64    10
Direct configuration=   758
   0.16629592  0.17148115 -0.02710704
   0.38002651  0.08084880  0.37503253
   0.13194548  0.41226812  0.11856612
   0.38537746  0.33734525  0.24130984
   0.11685585  0.16401094  0.48909571
   0.40951189  0.13972840  0.85164472
   0.11944999  0.41286098  0.61605243
   0.35148652  0.39446925  0.75122350
   0.09568635  0.69159586  0.01239114
   0.39820496  0.58520304  0.35847910
   0.05486119  0.91421552  0.15169093
   0.33248406  0.83264385  0.24115977
   0.16870130  0.66719719  0.49074550
   0.34734566  0.63904826  0.87841831
   0.07937264  0.91445003  0.61857551
   0.33957170  1.00034583  0.69338213
   0.62288776  0.15358704  1.01132200
   0.86849766  0.12933031  0.36585765
   0.60826796  0.43085359  0.12317580
   0.87123546  0.30850427  0.17502781
   0.62692144  0.18307060  0.49730968
   0.87914297  0.09612121  0.88105693
   0.57883754  0.43841435  0.60801544
   0.74485653  0.32925205  0.79144795
   0.60163464  0.68658205  0.00042656
   0.92282267  0.61185206  0.36962553
   0.57979056  0.92745377  0.13229366
   0.80984811  0.86327989  0.25888891
   0.64509653  0.65045320  0.45555723
   0.85244757  0.60386562  0.87324299
   0.61734925  0.93339631  0.62826445
   0.84428038  0.85655641  0.75487321
   0.10605450  0.07240428  0.16177476
   0.36249348  0.18917981  0.28815631
   0.11822003  0.31894909  0.02237451
   0.34181759  0.43789226  0.33861987
   0.53747007  0.39209312  0.22342418
   0.28103128  0.39200249  0.15643013
   0.26661970  0.08895206  0.45763909
   0.02807005  0.15586469  0.38230661
   0.05379493  0.07374194  0.57886084
   0.44819431  0.25901287  0.77320531
   0.13464291  0.31638267  0.52237423
   0.36201712  0.47935914  0.85723035
   0.43635520  0.46000806  0.66471663
   0.20493138  0.37781351  0.71595668
   0.29136301  0.22279622 -0.08535017
   0.02477933  0.11940459  0.91641778
   0.08172798  0.56676636  0.09592567
   0.38431663  0.68386009  0.25981165
   0.06511359  0.84764877  0.04585638
   0.38993775  0.92488406  0.33969437
   0.41704984  0.88659984  0.15072324
   0.17076009  0.85450670  0.23389423
   0.32032948  0.63087375  0.45600020
   0.07234261  0.64946803  0.40180615
   0.15086120  0.56079568  0.57576905
   0.27508098  0.67497070  0.77008555
   0.12684224  0.81738158  0.52911891
   0.37884099  0.99426159  0.80652229
   0.45031802  0.91573232  0.62405810
   0.18961691  0.92216131  0.70257739
   0.25143811  0.67447568 -0.02466019
   0.00401627  0.63878211  0.92013900
   0.60339849  0.08253492  0.11390708
   0.83319286  0.19981119  0.25471850
   0.59264675  0.31181652  0.04760568
   0.90820299  0.46014381  0.33248791
   0.03058904  0.35505368  0.20200978
   0.77413288  0.43548568  0.14182529
   0.76938894  0.20297170  0.44908936
   0.52732504  0.09541464  0.42440973
   0.64930415  0.08169424  0.58881624
   0.80606724  0.17461093  0.78817674
   0.54178166  0.31304463  0.52760962
   0.84074784  0.44479224  0.84274793
   0.96785862  0.39717123  0.65486489
   0.70797455  0.39861189  0.68046832
   0.77854488  0.12857608  0.97468752
   0.53724061  0.09645009  0.92553876
   0.55409798  0.57024086  0.07101656
   0.86040464  0.71297385  0.28594113
   0.63292993  0.83648231  0.04180364
   0.82677729  0.97017034  0.35077756
   0.89681101  0.90722026  0.16763688
   0.64755702  0.86892043  0.22802722
   0.80582812  0.64110170  0.44503857
   0.55938867  0.56585569  0.37946279
   0.61494472  0.57998885  0.56249293
   0.84257325  0.69450445  0.77476295
   0.58900819  0.80702224  0.43259990
   0.90301073  0.92873847  0.85338076
   0.93975505  0.86194316  0.66001301
   0.69206201  0.92426710  0.73669251
   0.75272477  0.63451089  0.96309727
   0.49505747  0.70664749  0.90880315
   0.68937651  0.82380712  0.58278671
   0.54317457  0.86320892  0.38647856
   0.90294218  0.21737905  0.09267870
   0.98846009  0.41087172  0.31186926
   0.30357951  0.13446902  0.65167568
   0.24917024  0.76923939  0.75409906
   0.03887299  1.14700286  0.16676752
   0.23784461  1.05599881  0.02236410
   0.63833813  0.33221670  0.85475656
   0.90284874  0.45479292  0.62180684
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946266    0.310168   -0.056740
    -0.000000    9.855189    0.041947
    -0.000000    0.000000   13.860605
   Si   O    H 
    32    64    10
Direct configuration=   759
   0.16452597  0.17027230 -0.02755419
   0.37944578  0.08087265  0.37665271
   0.13099299  0.41283710  0.11824948
   0.38460467  0.33841608  0.24021420
   0.11564203  0.16376398  0.48996653
   0.40931060  0.13992951  0.85131064
   0.11814779  0.41286438  0.61610122
   0.35033476  0.39469549  0.75085081
   0.09450275  0.69134052  0.01179183
   0.39736435  0.58583883  0.35863774
   0.05509803  0.91439596  0.15096210
   0.33052970  0.83293569  0.24114403
   0.16842854  0.66644961  0.49211592
   0.34759165  0.63886569  0.87834454
   0.07934985  0.91455007  0.61992863
   0.33980159  1.00134489  0.69326383
   0.62271430  0.15347121  1.01131527
   0.86755119  0.13043532  0.36572842
   0.60909899  0.43072491  0.12311908
   0.87021380  0.31025471  0.17520303
   0.62612571  0.18120774  0.49792455
   0.88018950  0.09576467  0.88059999
   0.57929215  0.43892029  0.60867162
   0.74598701  0.32835189  0.79095745
   0.60127502  0.68578400 -0.00005867
   0.92304516  0.61315984  0.36941423
   0.57969760  0.92751895  0.13316942
   0.81055973  0.86318524  0.25841859
   0.64596954  0.65076274  0.45484026
   0.85143053  0.60488876  0.87233623
   0.61879077  0.93292925  0.62887551
   0.84484748  0.85755501  0.75469462
   0.10677223  0.07022612  0.16204868
   0.36239531  0.18807368  0.28825276
   0.11654777  0.31729467  0.02389460
   0.34195966  0.43602751  0.33891093
   0.53733957  0.39220756  0.22228616
   0.28034594  0.39228509  0.15704287
   0.26554130  0.08832962  0.45763932
   0.03008096  0.15531359  0.38379736
   0.05343532  0.07464050  0.57975144
   0.44812393  0.25873337  0.77236883
   0.13510939  0.31732890  0.52450185
   0.36293409  0.48057404  0.85720999
   0.43513245  0.45989013  0.66484307
   0.20425116  0.37796337  0.71523944
   0.29296802  0.22294547 -0.08438858
   0.02880259  0.11868974  0.91696214
   0.08231737  0.56658500  0.09521551
   0.38456090  0.68345987  0.26003107
   0.06485694  0.84558103  0.04536558
   0.38822845  0.92420198  0.33815638
   0.42036563  0.88625663  0.15099274
   0.17226972  0.85417122  0.23377563
   0.31906283  0.63095739  0.45593821
   0.07138056  0.64971272  0.40333879
   0.15140558  0.56079718  0.57694919
   0.27461820  0.67498399  0.77139340
   0.12621569  0.81623351  0.52997994
   0.38131531  0.99288374  0.80644889
   0.44998801  0.91637543  0.62332723
   0.18947317  0.92343544  0.70213678
   0.25137215  0.67372196 -0.02445363
   0.00475556  0.63934269  0.92100283
   0.60342896  0.08345461  0.11441367
   0.83307344  0.20084520  0.25383021
   0.59491658  0.30940066  0.04765323
   0.90727028  0.45960306  0.33278898
   0.03085647  0.35514852  0.20077705
   0.77512362  0.43642822  0.14177385
   0.77036222  0.20271348  0.45031209
   0.52809213  0.09492358  0.42561429
   0.65048425  0.08324566  0.59007749
   0.80657052  0.17551522  0.78899005
   0.54317240  0.31313917  0.52757378
   0.84163573  0.44421266  0.84356042
   0.96609601  0.39776600  0.65519824
   0.70967415  0.39871978  0.68097646
   0.77611844  0.12863094  0.97399382
   0.53756635  0.09619286  0.92636612
   0.55597193  0.56947496  0.07112456
   0.85816170  0.71294445  0.28498555
   0.63221674  0.83669286  0.04161445
   0.82730953  0.97142381  0.35076595
   0.89593738  0.90819861  0.16716102
   0.64732451  0.87043799  0.22795381
   0.80686343  0.64006780  0.44599888
   0.55951040  0.56532079  0.37887376
   0.61236596  0.58221898  0.56174582
   0.84188831  0.69606264  0.77515736
   0.58834198  0.80749311  0.43400458
   0.90255572  0.92741276  0.85205812
   0.94003548  0.86031150  0.66155535
   0.69224485  0.92255477  0.73771776
   0.75385517  0.63494592  0.96316514
   0.49519714  0.70848720  0.90662868
   0.69044014  0.82884252  0.58226401
   0.53592945  0.86720797  0.38470839
   0.90459545  0.21060253  0.09791578
   0.99474650  0.42126873  0.30572642
   0.30365755  0.13696519  0.65478964
   0.25141180  0.75936936  0.75911070
   0.03607707  1.14912210  0.17130587
   0.22888761  1.05402659  0.01713605
   0.63460278  0.33011069  0.85454044
   0.90360608  0.45511907  0.61754640
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945137    0.310739   -0.055414
    -0.000000    9.856670    0.040910
    -0.000000    0.000000   13.861908
   Si   O    H 
    32    64    10
Direct configuration=   760
   0.16281860  0.16942671 -0.02779067
   0.37881280  0.08116841  0.37819625
   0.12979231  0.41288026  0.11808881
   0.38351738  0.33954277  0.23962028
   0.11515480  0.16368350  0.49108091
   0.40921652  0.13982185  0.85122241
   0.11698000  0.41287841  0.61633461
   0.35011823  0.39525354  0.75072649
   0.09392072  0.69089937  0.01100446
   0.39694044  0.58643202  0.35879459
   0.05539668  0.91519638  0.15039156
   0.32973365  0.83356156  0.24068531
   0.16851413  0.66554802  0.49312282
   0.34695574  0.63874487  0.87853293
   0.07935076  0.91461548  0.62068478
   0.34040374  1.00236827  0.69281885
   0.62289201  0.15331377  1.01125738
   0.86669492  0.13163206  0.36573188
   0.61002826  0.43091683  0.12290677
   0.86936813  0.31122832  0.17509821
   0.62502896  0.17929601  0.49817258
   0.88125182  0.09603934  0.88011882
   0.57979877  0.43855236  0.60971624
   0.74697641  0.32792401  0.79028209
   0.60156780  0.68476062 -0.00060590
   0.92290900  0.61424600  0.36926584
   0.57902852  0.92680743  0.13389665
   0.81120324  0.86327562  0.25830339
   0.64652773  0.65094812  0.45421921
   0.85038404  0.60564878  0.87168476
   0.62033205  0.93268958  0.62936136
   0.84525663  0.85807274  0.75473140
   0.10781026  0.06866736  0.16204778
   0.36171253  0.18818111  0.28827206
   0.11521314  0.31537582  0.02481156
   0.34159911  0.43484106  0.33838439
   0.53811203  0.39222333  0.22148160
   0.27976871  0.39265546  0.15772943
   0.26456799  0.08854396  0.45765580
   0.03128003  0.15420081  0.38521184
   0.05202949  0.07500903  0.58065645
   0.44747443  0.25840569  0.77142436
   0.13536134  0.31851709  0.52596624
   0.36378536  0.48191424  0.85705272
   0.43419022  0.46032050  0.66503658
   0.20279081  0.37711903  0.71435620
   0.29533464  0.22291048 -0.08374325
   0.03303178  0.11817622  0.91756380
   0.08340776  0.56629892  0.09456132
   0.38466071  0.68228637  0.26024273
   0.06503882  0.84339269  0.04481650
   0.38616535  0.92373609  0.33658885
   0.42362186  0.88597507  0.15094010
   0.17317641  0.85444431  0.23308610
   0.31831216  0.63162519  0.45582972
   0.06921691  0.64949140  0.40392978
   0.15135995  0.56133058  0.57836324
   0.27429970  0.67291633  0.77302551
   0.12555632  0.81458437  0.53056718
   0.38332607  0.99199214  0.80593002
   0.44969040  0.91686023  0.62254211
   0.19089050  0.92512745  0.70215555
   0.25248686  0.67250412 -0.02445545
   0.00476078  0.63997285  0.92187836
   0.60356762  0.08490703  0.11471830
   0.83297902  0.20065127  0.25362600
   0.59688142  0.30743650  0.04690523
   0.90716330  0.45910614  0.33306786
   0.03046295  0.35504189  0.19935860
   0.77660887  0.43721557  0.14216370
   0.77107402  0.20157120  0.45118028
   0.52936101  0.09483008  0.42702409
   0.65122568  0.08510161  0.59154474
   0.80722387  0.17732341  0.78910551
   0.54457346  0.31322894  0.52764227
   0.84164193  0.44347864  0.84452177
   0.96489328  0.39862912  0.65592576
   0.71088453  0.39763996  0.68125801
   0.77395691  0.12812062  0.97317798
   0.53768189  0.09576088  0.92652561
   0.55700923  0.56900999  0.07142060
   0.85598701  0.71214119  0.28435498
   0.63084074  0.83717802  0.04155174
   0.82806977  0.97262769  0.35028685
   0.89511493  0.90918069  0.16668532
   0.64815633  0.87122566  0.22844804
   0.80833801  0.63856953  0.44658712
   0.55876655  0.56621253  0.37813942
   0.61017064  0.58371426  0.56107665
   0.84127345  0.69740894  0.77516694
   0.58821012  0.80814086  0.43598594
   0.90160422  0.92700562  0.85104581
   0.93996181  0.85866193  0.66295981
   0.69216347  0.92061087  0.73840091
   0.75459692  0.63680830  0.96267850
   0.49521927  0.70969320  0.90481358
   0.69205776  0.82698126  0.57867377
   0.53320919  0.86692475  0.38698891
   0.90176691  0.20473172  0.10304069
   1.00126347  0.43339337  0.30291729
   0.30592791  0.14017122  0.65758146
   0.24363889  0.77527933  0.76058460
   0.03676417  1.14245972  0.17248085
   0.22150851  1.04880680  0.01191906
   0.63073182  0.33240885  0.85530524
   0.90339235  0.45137105  0.61471664
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944233    0.311185   -0.054518
    -0.000000    9.858284    0.040533
    -0.000000    0.000000   13.863060
   Si   O    H 
    32    64    10
Direct configuration=   761
   0.16111151  0.16835120 -0.02778335
   0.37827389  0.08125579  0.37997879
   0.12825777  0.41251050  0.11709562
   0.38230294  0.34013560  0.23977674
   0.11485780  0.16393762  0.49195285
   0.40908634  0.14064967  0.85103517
   0.11588515  0.41299905  0.61712702
   0.35055681  0.39566849  0.75099735
   0.09339087  0.69026711  0.01032908
   0.39664214  0.58637138  0.35881354
   0.05580894  0.91596737  0.14984328
   0.32894989  0.83470421  0.24025173
   0.16840222  0.66471024  0.49376722
   0.34627222  0.63860512  0.87858782
   0.07921300  0.91390302  0.62098582
   0.34114981  1.00376477  0.69251274
   0.62340123  0.15300628  1.01098657
   0.86597400  0.13221561  0.36548684
   0.61099661  0.43054554  0.12250373
   0.86892562  0.31211232  0.17482834
   0.62424414  0.17775727  0.49840934
   0.88222361  0.09535037  0.88029895
   0.58064070  0.43826166  0.61058032
   0.74783597  0.32834968  0.78973286
   0.60195287  0.68432907 -0.00192691
   0.92312471  0.61482792  0.36932884
   0.57831091  0.92579631  0.13418322
   0.81199731  0.86393188  0.25819971
   0.64712321  0.65168400  0.45372422
   0.84951985  0.60620173  0.87147421
   0.62161694  0.93233015  0.63017457
   0.84506413  0.85808405  0.75506423
   0.10800770  0.06818482  0.16233818
   0.36059860  0.18927098  0.28838615
   0.11382871  0.31307033  0.02604198
   0.34186346  0.43379550  0.33823125
   0.53826529  0.39266053  0.22051242
   0.28076978  0.39255988  0.15835775
   0.26349740  0.08878014  0.45772521
   0.03227737  0.15350206  0.38671664
   0.05109513  0.07538523  0.58126642
   0.44680825  0.25776816  0.77071127
   0.13643189  0.31901617  0.52683132
   0.36447910  0.48293242  0.85670999
   0.43338171  0.46097748  0.66520325
   0.20126961  0.37642787  0.71307873
   0.29808002  0.22267520 -0.08406130
   0.03644499  0.11773739  0.91788211
   0.08447466  0.56612857  0.09411365
   0.38425271  0.68079311  0.26007523
   0.06489054  0.84260587  0.04483012
   0.38364361  0.92342118  0.33503492
   0.42620234  0.88552654  0.15068242
   0.17302267  0.85447271  0.23238435
   0.31714779  0.63236527  0.45534488
   0.06702702  0.64964515  0.40460141
   0.15100277  0.56127609  0.58007554
   0.27409621  0.67288012  0.77465075
   0.12534036  0.81263328  0.53128161
   0.38508961  0.99120348  0.80512820
   0.44948630  0.91707383  0.62209079
   0.19302460  0.92769803  0.70258484
   0.25250489  0.67167053 -0.02486482
   0.00379111  0.64040522  0.92177372
   0.60433551  0.08493569  0.11507393
   0.83190991  0.19985166  0.25408276
   0.59842147  0.30527128  0.04587784
   0.90817388  0.45801629  0.33305030
   0.02992130  0.35486397  0.19784838
   0.77756677  0.43834010  0.14229599
   0.77212854  0.20099077  0.45201661
   0.53022636  0.09561165  0.42768311
   0.65159767  0.08579637  0.59342221
   0.80806557  0.17835221  0.78981875
   0.54604616  0.31389369  0.52783994
   0.84161703  0.44252948  0.84538287
   0.96344097  0.39900620  0.65624079
   0.71142059  0.39684878  0.68178624
   0.77306373  0.12716928  0.97216347
   0.53712262  0.09465426  0.92597285
   0.55668772  0.56838487  0.07166101
   0.85383174  0.71149256  0.28332248
   0.62928338  0.83730119  0.04208157
   0.82911533  0.97364298  0.34998847
   0.89450748  0.91059110  0.16597921
   0.64987228  0.87136873  0.22879555
   0.80930738  0.63750013  0.44826125
   0.55704499  0.56651309  0.37779570
   0.60818557  0.58416960  0.55998256
   0.84080925  0.69850533  0.77525110
   0.58864086  0.80842669  0.43747044
   0.90021294  0.92736080  0.85011711
   0.93976612  0.85732686  0.66392571
   0.69233286  0.91913428  0.73861514
   0.75533754  0.63790579  0.96285746
   0.49578718  0.71154371  0.90320383
   0.69788334  0.82574374  0.57623003
   0.53649781  0.86108927  0.38903650
   0.89716727  0.19867731  0.10525314
   0.99506624  0.44572378  0.30203518
   0.30855773  0.13828562  0.66036648
   0.24118957  0.78112696  0.76389244
   0.03974414  1.13072220  0.16980297
   0.21571916  1.04261372  0.00570185
   0.63009556  0.33926924  0.85419781
   0.90340229  0.44635567  0.61027334
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943504    0.311957   -0.052833
    -0.000000    9.859696    0.040132
    -0.000000    0.000000   13.863894
   Si   O    H 
    32    64    10
Direct configuration=   762
   0.16026623  0.16793138 -0.02726499
   0.37859832  0.08051492  0.38075161
   0.12715932  0.41255206  0.11654700
   0.38070401  0.34043019  0.24000890
   0.11449523  0.16386866  0.49234385
   0.40925467  0.14131753  0.85112468
   0.11573007  0.41300253  0.61765940
   0.35102912  0.39566311  0.75089648
   0.09336388  0.68873761  0.00956808
   0.39645792  0.58641767  0.35880495
   0.05631476  0.91698221  0.14906731
   0.32860844  0.83589205  0.23978877
   0.16828949  0.66449824  0.49431823
   0.34654294  0.63861747  0.87856151
   0.07916884  0.91359411  0.62134277
   0.34193000  1.00500751  0.69237610
   0.62370231  0.15257833  1.01060103
   0.86526216  0.13318979  0.36505455
   0.61197028  0.42941253  0.12220768
   0.86818159  0.31263353  0.17418167
   0.62331775  0.17644144  0.49834436
   0.88297866  0.09416103  0.88029341
   0.58098446  0.43820763  0.61161803
   0.74846619  0.32958378  0.78912385
   0.60247597  0.68390534 -0.00299926
   0.92332530  0.61525007  0.36896157
   0.57744817  0.92444395  0.13463375
   0.81291346  0.86470309  0.25792271
   0.64743153  0.65192017  0.45350995
   0.84903691  0.60670742  0.87180908
   0.62251459  0.93203186  0.63106198
   0.84498810  0.85811372  0.75517214
   0.10965969  0.06794172  0.16279743
   0.35943852  0.18993611  0.28831246
   0.11241164  0.31109218  0.02691892
   0.34276455  0.43312942  0.33772331
   0.53814208  0.39237316  0.21986915
   0.28221201  0.39222110  0.15879189
   0.26152551  0.08867826  0.45777565
   0.03337528  0.15305049  0.38893015
   0.05050935  0.07561950  0.58166064
   0.44575024  0.25641321  0.76996491
   0.13776530  0.31871770  0.52698032
   0.36493260  0.48235018  0.85566677
   0.43304268  0.46199869  0.66517684
   0.20020999  0.37449866  0.71186510
   0.30018986  0.22243465 -0.08501121
   0.03869550  0.11791278  0.91765271
   0.08561971  0.56601321  0.09381218
   0.38355763  0.67846095  0.25973087
   0.06426687  0.84234967  0.04495737
   0.38157687  0.92315918  0.33349081
   0.42795457  0.88443258  0.15019254
   0.17225824  0.85366634  0.23144860
   0.31581813  0.63367313  0.45517269
   0.06423675  0.65074444  0.40512921
   0.15033084  0.56106653  0.58155183
   0.27419465  0.67385572  0.77595783
   0.12539219  0.81039164  0.53213318
   0.38689913  0.99044120  0.80449314
   0.44918294  0.91774470  0.62181711
   0.19446416  0.92983108  0.70317014
   0.25227961  0.67093949 -0.02548766
   0.00233636  0.64142315  0.92063083
   0.60547203  0.08486189  0.11547091
   0.83059874  0.19915624  0.25542657
   0.59993293  0.30378058  0.04461072
   0.91044258  0.45665992  0.33323823
   0.02875356  0.35497366  0.19617457
   0.77764152  0.44025236  0.14260370
   0.77365497  0.20029939  0.45261749
   0.52955863  0.09575634  0.42864344
   0.65203901  0.08611626  0.59595916
   0.80957095  0.17862687  0.79080235
   0.54769622  0.31522815  0.52766239
   0.84205923  0.44194558  0.84576406
   0.96189637  0.39912728  0.65681271
   0.71216177  0.39576784  0.68282843
   0.77327883  0.12615472  0.97148588
   0.53630422  0.09369610  0.92538420
   0.55692056  0.56754184  0.07213042
   0.85203102  0.70992875  0.28220982
   0.62809529  0.83743092  0.04197835
   0.83041977  0.97391102  0.34919205
   0.89355061  0.91147386  0.16536988
   0.65174300  0.87114543  0.22960396
   0.80956142  0.63616179  0.45036802
   0.55614548  0.56695896  0.37732479
   0.60601968  0.58497625  0.55957106
   0.84021923  0.69960631  0.77556559
   0.58956350  0.80845955  0.43846101
   0.89896018  0.92864164  0.84883716
   0.94029096  0.85582989  0.66429926
   0.69255197  0.91704846  0.73842007
   0.75516361  0.63874222  0.96256994
   0.49536687  0.71244606  0.90228813
   0.70196252  0.82589262  0.57397028
   0.54080120  0.85349982  0.39142727
   0.89461486  0.19475629  0.10568740
   0.98922933  0.45463444  0.30035107
   0.31196066  0.13691012  0.65976532
   0.24165966  0.77264813  0.77011498
   0.02688428  1.13415649  0.16955186
   0.21141108  1.03428716  0.00229223
   0.62714229  0.34304127  0.85258918
   0.90757307  0.44295924  0.60597046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943155    0.312530   -0.051370
    -0.000000    9.861543    0.040065
    -0.000000    0.000000   13.864568
   Si   O    H 
    32    64    10
Direct configuration=   763
   0.16023069  0.16821646 -0.02678433
   0.37944755  0.07970770  0.38120821
   0.12630735  0.41177693  0.11574540
   0.37941065  0.34080098  0.24080580
   0.11377825  0.16369891  0.49252324
   0.40951378  0.14141740  0.85123061
   0.11565706  0.41315509  0.61870671
   0.35176957  0.39604246  0.75073442
   0.09406109  0.68649514  0.00884347
   0.39621319  0.58676538  0.35856578
   0.05644256  0.91805934  0.14817592
   0.32857301  0.83742211  0.23943252
   0.16846226  0.66344536  0.49507243
   0.34695305  0.63853367  0.87865825
   0.07935886  0.91341555  0.62138446
   0.34261799  1.00604376  0.69210970
   0.62450513  0.15208964  1.01011365
   0.86479676  0.13427230  0.36459702
   0.61281597  0.42772098  0.12192497
   0.86763739  0.31249750  0.17369236
   0.62249932  0.17523058  0.49892714
   0.88363918  0.09341277  0.88066766
   0.58131458  0.43894226  0.61239117
   0.74906946  0.33091625  0.78842021
   0.60260486  0.68353628 -0.00448445
   0.92312907  0.61574552  0.36824638
   0.57665930  0.92361796  0.13487924
   0.81392742  0.86613575  0.25747914
   0.64764277  0.65265423  0.45333914
   0.84962186  0.60681604  0.87194271
   0.62344622  0.93142241  0.63162829
   0.84457889  0.85792023  0.75521964
   0.11057805  0.06897589  0.16289909
   0.35851659  0.18986228  0.28856982
   0.11045717  0.30899621  0.02777234
   0.34353560  0.43219437  0.33728492
   0.53682870  0.39260558  0.22003550
   0.28242588  0.39197122  0.15868506
   0.25902135  0.08919277  0.45768204
   0.03469884  0.15363593  0.39109110
   0.05009536  0.07545797  0.58154259
   0.44427835  0.25530548  0.76944124
   0.13896385  0.31782001  0.52739849
   0.36573870  0.48070846  0.85472969
   0.43353781  0.46331881  0.66453945
   0.19920754  0.37261500  0.71101548
   0.30188698  0.22121585 -0.08564890
   0.04042152  0.11738313  0.91710846
   0.08672661  0.56619009  0.09347535
   0.38345395  0.67687710  0.25917709
   0.06403007  0.84120117  0.04530576
   0.37965456  0.92361925  0.33263830
   0.42813870  0.88377367  0.14992666
   0.17035019  0.85314453  0.23088138
   0.31429226  0.63568380  0.45536529
   0.06284074  0.65219524  0.40615850
   0.15024460  0.56104789  0.58189180
   0.27394448  0.67540181  0.77743523
   0.12574535  0.80827973  0.53323305
   0.38862637  0.98961014  0.80427093
   0.44885797  0.91848442  0.62163985
   0.19545611  0.93213209  0.70351671
   0.25163845  0.66996704 -0.02660797
   0.00056427  0.64262450  0.91950016
   0.60684181  0.08440629  0.11659464
   0.82947911  0.19898885  0.25686671
   0.60081662  0.30329492  0.04367872
   0.91168298  0.45580855  0.33379656
   0.02693891  0.35554804  0.19451811
   0.77708337  0.44215600  0.14236857
   0.77555369  0.19967287  0.45299335
   0.52865239  0.09763545  0.42952022
   0.65250450  0.08600037  0.59859006
   0.81154253  0.17859982  0.79187509
   0.54952755  0.31697892  0.52718150
   0.84206049  0.44082127  0.84639089
   0.96078659  0.39950555  0.65711341
   0.71215478  0.39459261  0.68347066
   0.77465636  0.12534501  0.97027940
   0.53448877  0.09329866  0.92468557
   0.55708643  0.56728027  0.07272300
   0.85033133  0.70917928  0.28102608
   0.62710054  0.83680363  0.04143204
   0.83284772  0.97405569  0.34827391
   0.89308281  0.91254944  0.16507456
   0.65422565  0.87070215  0.23122400
   0.81012221  0.63513411  0.45240365
   0.55451667  0.56787646  0.37695598
   0.60324940  0.58566908  0.55930341
   0.83921648  0.69972439  0.77621607
   0.59140255  0.80738988  0.44030999
   0.89763936  0.93058820  0.84746735
   0.94048765  0.85409277  0.66492682
   0.69290289  0.91534283  0.73831691
   0.75517305  0.63971601  0.96262624
   0.49505048  0.71228709  0.90168160
   0.70384567  0.82868533  0.57430991
   0.53868407  0.85130669  0.38598718
   0.89014971  0.19599132  0.10459197
   1.00160194  0.45760460  0.29282109
   0.31517402  0.13684989  0.65598405
   0.24354079  0.75704278  0.77607466
   0.02260823  1.13131744  0.16651807
   0.20628878  1.02856290  0.00225068
   0.62490029  0.34991244  0.85017423
   0.90861132  0.44210799  0.60049473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942892    0.313064   -0.050052
    -0.000000    9.863373    0.040024
    -0.000000    0.000000   13.865411
   Si   O    H 
    32    64    10
Direct configuration=   764
   0.16056326  0.16932863 -0.02624288
   0.38019386  0.07860682  0.38168199
   0.12620268  0.41075175  0.11478121
   0.37861696  0.34115770  0.24201960
   0.11371115  0.16313017  0.49255804
   0.41006786  0.14152382  0.85167441
   0.11536011  0.41365412  0.61968569
   0.35231242  0.39684840  0.75074479
   0.09495461  0.68443955  0.00807664
   0.39580104  0.58683058  0.35858250
   0.05729224  0.91844891  0.14719988
   0.32878784  0.83891023  0.23906881
   0.16853945  0.66234797  0.49560206
   0.34781408  0.63848640  0.87909476
   0.07969242  0.91366860  0.62089607
   0.34261858  1.00652542  0.69206749
   0.62510170  0.15124985  1.00925712
   0.86493247  0.13521042  0.36397764
   0.61392557  0.42586536  0.12155063
   0.86779857  0.31204363  0.17357336
   0.62249828  0.17459196  0.49970225
   0.88478531  0.09242340  0.88092984
   0.58124894  0.43946845  0.61277322
   0.74968316  0.33257570  0.78800380
   0.60254135  0.68347040 -0.00608429
   0.92256776  0.61609743  0.36764169
   0.57605399  0.92252345  0.13484604
   0.81475516  0.86762755  0.25741181
   0.64744206  0.65381448  0.45342616
   0.85061745  0.60742888  0.87239982
   0.62448802  0.93058828  0.63205499
   0.84417344  0.85767859  0.75540849
   0.11084585  0.07081377  0.16257947
   0.35871663  0.18945254  0.28834927
   0.10936108  0.30764126  0.02801996
   0.34460544  0.43175129  0.33749329
   0.53536732  0.39277949  0.22022304
   0.28324287  0.39232603  0.15780152
   0.25676247  0.08947976  0.45792940
   0.03497815  0.15421858  0.39258072
   0.04896092  0.07507880  0.58084493
   0.44340092  0.25454476  0.76927948
   0.14053640  0.31729673  0.52711596
   0.36642679  0.47791211  0.85397757
   0.43422672  0.46474911  0.66380884
   0.19851739  0.37011771  0.71069975
   0.30204876  0.22015283 -0.08633389
   0.04102516  0.11627563  0.91663271
   0.08813906  0.56687331  0.09307812
   0.38323679  0.67549297  0.25867023
   0.06374792  0.83920006  0.04589158
   0.37891984  0.92415217  0.33181425
   0.42761480  0.88353523  0.15006713
   0.16837906  0.85269064  0.23064142
   0.31387915  0.63771799  0.45516398
   0.06233515  0.65347368  0.40701497
   0.14965318  0.56102622  0.58220806
   0.27400340  0.67487839  0.77914964
   0.12568757  0.80772426  0.53427857
   0.39017782  0.98943267  0.80395210
   0.44835857  0.91959865  0.62131547
   0.19680019  0.93372951  0.70393600
   0.25142555  0.66894535 -0.02767713
  -0.00154822  0.64359067  0.91828388
   0.60810011  0.08296502  0.11765870
   0.82812643  0.19924567  0.25865323
   0.60108378  0.30332354  0.04255970
   0.91278543  0.45553247  0.33374789
   0.02479268  0.35741628  0.19278806
   0.77519432  0.44452204  0.14220487
   0.77769305  0.19874055  0.45322404
   0.52725759  0.09922943  0.42946679
   0.65248310  0.08568309  0.60091043
   0.81359845  0.17841888  0.79319955
   0.55107257  0.31941715  0.52738296
   0.84154663  0.44084777  0.84702438
   0.95985659  0.40014162  0.65726169
   0.71067342  0.39408677  0.68386011
   0.77619532  0.12434170  0.96982430
   0.53283820  0.09232493  0.92408769
   0.55698290  0.56733219  0.07322599
   0.84860306  0.70784635  0.28006767
   0.62656138  0.83582074  0.04096259
   0.83457102  0.97429630  0.34718127
   0.89406509  0.91317438  0.16440343
   0.65730418  0.86995357  0.23229289
   0.81068757  0.63452029  0.45413487
   0.55383498  0.56863507  0.37653161
   0.60074736  0.58659303  0.55933172
   0.83795817  0.69918792  0.77685154
   0.59315002  0.80646155  0.44235346
   0.89696227  0.93249903  0.84653793
   0.94149976  0.85371019  0.66575518
   0.69257051  0.91400101  0.73818370
   0.75526693  0.63997838  0.96195551
   0.49502757  0.71141012  0.90130787
   0.70032633  0.83011976  0.57533413
   0.54175192  0.84574245  0.38219406
   0.88569604  0.20104367  0.10337938
   1.00426962  0.45468822  0.29083247
   0.31683450  0.14406171  0.64899453
   0.23648418  0.77763668  0.77899281
   0.02953547  1.12565137  0.16335985
   0.20208300  1.02781256  0.00473240
   0.62453116  0.35641099  0.84674231
   0.91039513  0.43633615  0.60189950
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942802    0.313715   -0.048740
    -0.000000    9.865056    0.039979
    -0.000000    0.000000   13.866507
   Si   O    H 
    32    64    10
Direct configuration=   765
   0.16168411  0.17031633 -0.02602505
   0.38072407  0.07760477  0.38207103
   0.12653278  0.40937440  0.11408073
   0.37823338  0.34142937  0.24290518
   0.11399937  0.16196188  0.49272991
   0.41024044  0.14149051  0.85174451
   0.11416007  0.41426180  0.62059493
   0.35252733  0.39786149  0.75047868
   0.09602320  0.68257369  0.00722211
   0.39537370  0.58677846  0.35895427
   0.05751924  0.91863014  0.14626389
   0.32888519  0.83973578  0.23905387
   0.16825892  0.66174430  0.49608772
   0.34840150  0.63873380  0.87966867
   0.07997392  0.91408144  0.61999662
   0.34292544  1.00750561  0.69223677
   0.62577904  0.15041069  1.00869238
   0.86559086  0.13662404  0.36367336
   0.61497505  0.42429331  0.12092961
   0.86761832  0.31123621  0.17348860
   0.62251426  0.17378034  0.50070419
   0.88493675  0.09183226  0.88103916
   0.58096302  0.44033574  0.61290532
   0.74990834  0.33407325  0.78801410
   0.60202179  0.68335212 -0.00774340
   0.92145902  0.61624703  0.36686586
   0.57562541  0.92196293  0.13449355
   0.81512975  0.86865369  0.25775964
   0.64687505  0.65462194  0.45370276
   0.85098504  0.60843849  0.87250265
   0.62476648  0.92990560  0.63254617
   0.84415457  0.85742044  0.75544473
   0.11128570  0.07343342  0.16150049
   0.35978349  0.18868974  0.28804472
   0.10863065  0.30621051  0.02820450
   0.34532845  0.43100302  0.33728944
   0.53443061  0.39256679  0.22098968
   0.28366807  0.39335903  0.15647374
   0.25540336  0.08931884  0.45732506
   0.03412144  0.15484954  0.39393383
   0.04806996  0.07401629  0.58042662
   0.44192836  0.25396835  0.77002494
   0.14154779  0.31668220  0.52637200
   0.36617525  0.47381070  0.85318909
   0.43468025  0.46587423  0.66273804
   0.19836110  0.36763522  0.71067091
   0.30075072  0.21924941 -0.08642983
   0.04089887  0.11463424  0.91579645
   0.08946811  0.56759328  0.09303915
   0.38305980  0.67410111  0.25821974
   0.06299736  0.83727617  0.04623204
   0.37875241  0.92491711  0.33145700
   0.42582872  0.88325555  0.15056051
   0.16575179  0.85224351  0.23116689
   0.31382572  0.63983616  0.45508662
   0.06283443  0.65443688  0.40742004
   0.14978622  0.56137676  0.58235531
   0.27358312  0.67597340  0.78065065
   0.12499895  0.80765298  0.53494454
   0.39095607  0.98988014  0.80372325
   0.44846912  0.92076195  0.62136737
   0.19770134  0.93500321  0.70419730
   0.25169333  0.66886595 -0.02886852
  -0.00318731  0.64395876  0.91728448
   0.60912218  0.08127193  0.11833046
   0.82765069  0.20023040  0.26020606
   0.60170383  0.30368931  0.04172794
   0.91384242  0.45647296  0.33374556
   0.02257015  0.35942766  0.19149029
   0.77321762  0.44696777  0.14172425
   0.77914203  0.19743900  0.45346689
   0.52600771  0.10065687  0.42880441
   0.65247111  0.08613601  0.60306851
   0.81590952  0.17829404  0.79404900
   0.55268214  0.32251722  0.52870082
   0.84087024  0.44082762  0.84803728
   0.95939872  0.40131115  0.65727347
   0.70996177  0.39419913  0.68371136
   0.77808865  0.12377594  0.96890982
   0.53133178  0.09167992  0.92415172
   0.55648858  0.56734045  0.07368846
   0.84765138  0.70686060  0.27993963
   0.62594583  0.83432241  0.04107368
   0.83565081  0.97546923  0.34636745
   0.89528422  0.91445933  0.16359395
   0.66034790  0.86916963  0.23290486
   0.80977146  0.63403198  0.45572105
   0.55355462  0.56892681  0.37622961
   0.59870849  0.58681530  0.55911491
   0.83699770  0.69880301  0.77750806
   0.59439586  0.80567632  0.44347846
   0.89597903  0.93437770  0.84605002
   0.94390183  0.85337769  0.66676903
   0.69226035  0.91337994  0.73769923
   0.75308623  0.64074309  0.96144534
   0.49467572  0.71082382  0.90079660
   0.69695005  0.83082639  0.57707852
   0.54808225  0.83641846  0.38422233
   0.88228390  0.20526942  0.10258901
   0.99513424  0.44533681  0.29147105
   0.31808717  0.14843129  0.64435056
   0.23319190  0.78445755  0.77906534
   0.02850901  1.13083355  0.15959091
   0.19917733  1.03667349  0.00949757
   0.62208271  0.36008396  0.84310269
   0.91009824  0.43060017  0.60087592
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942734    0.314441   -0.047187
    -0.000000    9.866614    0.040069
    -0.000000    0.000000   13.867476
   Si   O    H 
    32    64    10
Direct configuration=   766
   0.16340868  0.17208019 -0.02551885
   0.38089304  0.07690591  0.38224132
   0.12804186  0.40799893  0.11346386
   0.37804891  0.34137689  0.24393496
   0.11463268  0.16104507  0.49269481
   0.41123538  0.14147138  0.85201864
   0.11232110  0.41483669  0.62163534
   0.35215488  0.39915065  0.75057257
   0.09766551  0.68127542  0.00661129
   0.39456557  0.58645349  0.35928541
   0.05814180  0.91873958  0.14574869
   0.32917679  0.83990574  0.23874628
   0.16776552  0.66106562  0.49631907
   0.34860385  0.63885478  0.88012711
   0.07979214  0.91467979  0.61876275
   0.34301589  1.00807865  0.69218230
   0.62613442  0.14909777  1.00822988
   0.86678477  0.13729892  0.36359288
   0.61524713  0.42267214  0.11975675
   0.86805144  0.31057241  0.17323457
   0.62280664  0.17359077  0.50185461
   0.88539441  0.09049338  0.88136595
   0.58051304  0.44091545  0.61263017
   0.75003449  0.33549613  0.78839707
   0.60140719  0.68312608 -0.00926040
   0.92010275  0.61583014  0.36618106
   0.57572575  0.92088445  0.13418116
   0.81509368  0.86870429  0.25855046
   0.64667316  0.65553205  0.45388926
   0.85127754  0.60920793  0.87268388
   0.62530664  0.92978033  0.63266789
   0.84457099  0.85674435  0.75546756
   0.11138345  0.07551547  0.16009952
   0.36106404  0.18705999  0.28791190
   0.10804312  0.30495302  0.02837599
   0.34611737  0.42990227  0.33766229
   0.53388718  0.39062628  0.22161114
   0.28366089  0.39432234  0.15508441
   0.25461452  0.08900357  0.45676022
   0.03250195  0.15574597  0.39510197
   0.04645407  0.07227312  0.57987743
   0.44059919  0.25216782  0.77049648
   0.14264792  0.31665097  0.52567688
   0.36613345  0.46968985  0.85264478
   0.43592198  0.46690131  0.66173927
   0.19878043  0.36561431  0.71065598
   0.29966385  0.21908334 -0.08589671
   0.04015686  0.11380885  0.91480403
   0.09044533  0.56861356  0.09262253
   0.38263689  0.67297231  0.25828574
   0.06191962  0.83552593  0.04597486
   0.37882906  0.92537071  0.33079468
   0.42334903  0.88374893  0.15106785
   0.16418874  0.85161084  0.23253093
   0.31538739  0.64217901  0.45453454
   0.06328184  0.65530061  0.40726253
   0.14986663  0.56178794  0.58285252
   0.27325720  0.67806862  0.78202820
   0.12395106  0.80882819  0.53563661
   0.39171628  0.99040327  0.80363156
   0.44936173  0.92180511  0.62175862
   0.19840458  0.93600421  0.70427710
   0.25221495  0.66879351 -0.03021258
  -0.00449246  0.64402550  0.91638907
   0.60944419  0.08008077  0.11899913
   0.82757218  0.20164613  0.26203594
   0.60252280  0.30342748  0.04120151
   0.91526861  0.45885573  0.33398570
   0.02062336  0.36086583  0.19092967
   0.77166989  0.44956281  0.14167708
   0.78079632  0.19632231  0.45340546
   0.52407644  0.10193783  0.42810122
   0.65260718  0.08673145  0.60535769
   0.81744987  0.17833630  0.79511847
   0.55415153  0.32501164  0.53001617
   0.84079396  0.44134075  0.84861234
   0.95907772  0.40226978  0.65708545
   0.70931115  0.39397527  0.68271795
   0.78081070  0.12313997  0.96813182
   0.53030453  0.09149388  0.92413601
   0.55683399  0.56790459  0.07351934
   0.84688894  0.70597424  0.28036057
   0.62575659  0.83313243  0.04087723
   0.83675078  0.97685252  0.34586368
   0.89729629  0.91590005  0.16361270
   0.66214686  0.86951043  0.23254107
   0.80912474  0.63415129  0.45695158
   0.55451391  0.56994569  0.37634138
   0.59680621  0.58678624  0.55900537
   0.83615351  0.69867138  0.77857644
   0.59539161  0.80571985  0.44412768
   0.89447998  0.93671203  0.84566982
   0.94668995  0.85351240  0.66732817
   0.69251852  0.91287721  0.73736825
   0.75054663  0.64168085  0.96019266
   0.49405593  0.70983812  0.90101377
   0.69384706  0.82860017  0.57892266
   0.55437340  0.82703155  0.38637723
   0.87847110  0.20981246  0.09894475
   0.98235751  0.43387824  0.29402529
   0.31910482  0.14946318  0.64135106
   0.23524005  0.77908951  0.77739649
   0.02755501  1.13844544  0.15516966
   0.20237175  1.04439496  0.01259870
   0.61739193  0.36089889  0.84105668
   0.90843633  0.42912812  0.59827395
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942844    0.315716   -0.045705
    -0.000000    9.868246    0.040765
    -0.000000    0.000000   13.868294
   Si   O    H 
    32    64    10
Direct configuration=   767
   0.16524448  0.17270941 -0.02493279
   0.38046740  0.07639170  0.38233112
   0.12898933  0.40700843  0.11324071
   0.37818827  0.34099444  0.24506954
   0.11501797  0.16011175  0.49270648
   0.41194987  0.14147369  0.85241925
   0.11060341  0.41504201  0.62252813
   0.35196119  0.39962521  0.75035120
   0.09937973  0.67962053  0.00602506
   0.39359628  0.58622956  0.35958830
   0.05877788  0.91947089  0.14543112
   0.32943624  0.83959228  0.23789857
   0.16761342  0.66055920  0.49666708
   0.34893582  0.63913506  0.88052898
   0.07978024  0.91511782  0.61735192
   0.34309995  1.00890456  0.69207024
   0.62655228  0.14777021  1.00783709
   0.86871207  0.13811527  0.36390383
   0.61500060  0.42179341  0.11871249
   0.86885472  0.31052826  0.17291114
   0.62305257  0.17307931  0.50247326
   0.88658628  0.08924015  0.88192273
   0.58026548  0.44148339  0.61236556
   0.74971667  0.33705737  0.78936180
   0.60104117  0.68351349 -0.01007817
   0.91901130  0.61536806  0.36585002
   0.57600740  0.92001314  0.13358974
   0.81534021  0.86887472  0.25948860
   0.64620626  0.65541301  0.45437057
   0.85193897  0.60936096  0.87302184
   0.62482487  0.92975924  0.63246851
   0.84441634  0.85549067  0.75574179
   0.11037098  0.07757427  0.15808329
   0.36335658  0.18566241  0.28770695
   0.10684928  0.30388921  0.02800118
   0.34681488  0.42900172  0.33852028
   0.53248052  0.38924740  0.22127840
   0.28342260  0.39498114  0.15387530
   0.25416813  0.08897212  0.45659295
   0.03017780  0.15743816  0.39575113
   0.04593077  0.06945904  0.57940507
   0.43910733  0.25104425  0.77086670
   0.14294638  0.31783794  0.52501845
   0.36525355  0.46692689  0.85267586
   0.43663599  0.46829255  0.66105542
   0.19957100  0.36382105  0.71070040
   0.29786893  0.21884746 -0.08495512
   0.03888312  0.11278943  0.91372698
   0.09209873  0.56888091  0.09245860
   0.38200835  0.67278977  0.25774821
   0.06116327  0.83368306  0.04536797
   0.37904562  0.92604791  0.33053664
   0.42094597  0.88392182  0.15153133
   0.16286813  0.84984283  0.23387164
   0.31751129  0.64412479  0.45417434
   0.06448361  0.65600688  0.40750718
   0.14981844  0.56242294  0.58314950
   0.27296463  0.68123567  0.78328997
   0.12248639  0.80976327  0.53666546
   0.39239181  0.99087498  0.80362958
   0.45106844  0.92301025  0.62210528
   0.19827294  0.93635213  0.70381485
   0.25258956  0.66887948 -0.03116122
  -0.00554349  0.64445223  0.91616805
   0.60850567  0.07921892  0.11961431
   0.82732830  0.20355928  0.26400471
   0.60401369  0.30233162  0.04132411
   0.91552284  0.46185023  0.33458340
   0.01928545  0.36229449  0.19047783
   0.77048108  0.45113625  0.14214311
   0.78215518  0.19591498  0.45336245
   0.52258500  0.10299821  0.42712194
   0.65244447  0.08799075  0.60755161
   0.81930974  0.17910704  0.79590021
   0.55516962  0.32743549  0.53104753
   0.84064159  0.44281375  0.84924758
   0.95877967  0.40327864  0.65709114
   0.70858019  0.39401914  0.68067426
   0.78251309  0.12300063  0.96742726
   0.53012959  0.09147054  0.92408705
   0.55715184  0.56803980  0.07361581
   0.84666832  0.70545535  0.28113994
   0.62551893  0.83192211  0.04075569
   0.83808039  0.97747901  0.34496958
   0.89879327  0.91689479  0.16419099
   0.66323383  0.87072096  0.23186921
   0.80902040  0.63493494  0.45852723
   0.55576204  0.57107427  0.37711572
   0.59549074  0.58713635  0.55892189
   0.83586673  0.69861232  0.77948669
   0.59629160  0.80693287  0.44559280
   0.89356929  0.93831565  0.84500284
   0.94943776  0.85295665  0.66814280
   0.69274811  0.91220198  0.73805605
   0.74952148  0.64184328  0.95878905
   0.49378324  0.70806969  0.90146826
   0.69354084  0.82470462  0.57774867
   0.55380874  0.82369017  0.37950939
   0.87837614  0.20929403  0.09584036
   0.98325634  0.42193021  0.28796242
   0.32071174  0.14716200  0.64239215
   0.24350113  0.76495203  0.77538092
   0.02972671  1.14218514  0.14843351
   0.20892592  1.04800341  0.01750221
   0.61879219  0.35991442  0.83631408
   0.90590045  0.42659694  0.59932267
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942856    0.317141   -0.044365
    -0.000000    9.870080    0.041601
    -0.000000    0.000000   13.869191
   Si   O    H 
    32    64    10
Direct configuration=   768
   0.16677572  0.17318777 -0.02452187
   0.38003029  0.07579866  0.38151028
   0.12989973  0.40637297  0.11263452
   0.37759214  0.34099072  0.24605957
   0.11539284  0.15881707  0.49262863
   0.41273363  0.14161355  0.85281990
   0.10914054  0.41518654  0.62288596
   0.35221157  0.39960347  0.74997609
   0.10066638  0.67834322  0.00572043
   0.39275927  0.58548734  0.35950915
   0.06013112  0.92017887  0.14537683
   0.32904637  0.83883511  0.23741613
   0.16789901  0.66070164  0.49695842
   0.34947913  0.63839806  0.88134116
   0.08009205  0.91624132  0.61607959
   0.34328478  1.00984401  0.69201855
   0.62719505  0.14627868  1.00777430
   0.87035075  0.13909570  0.36419037
   0.61440278  0.42141073  0.11835134
   0.86925502  0.31039266  0.17303376
   0.62342317  0.17311241  0.50304448
   0.88779745  0.08882438  0.88278126
   0.58030593  0.44196205  0.61213205
   0.74946745  0.33848744  0.78986114
   0.60028470  0.68397982 -0.01044754
   0.91784336  0.61497215  0.36567318
   0.57682508  0.91896563  0.13322029
   0.81563422  0.86840190  0.26056342
   0.64606132  0.65517694  0.45524154
   0.85191037  0.60948983  0.87344644
   0.62469708  0.92934206  0.63263505
   0.84361892  0.85502317  0.75655522
   0.10923264  0.07819758  0.15637916
   0.36479427  0.18419580  0.28736226
   0.10534780  0.30289076  0.02764492
   0.34720836  0.42884294  0.33989195
   0.53177798  0.38772926  0.22050416
   0.28345366  0.39514425  0.15279388
   0.25452568  0.08883584  0.45630115
   0.02728470  0.15828488  0.39622171
   0.04508351  0.06686193  0.57893225
   0.43703397  0.25001654  0.77047306
   0.14295812  0.31911865  0.52454709
   0.36358067  0.46468954  0.85341310
   0.43752678  0.46954302  0.66047610
   0.20123820  0.36195063  0.71094587
   0.29501229  0.21941495 -0.08364789
   0.03779485  0.11183792  0.91304917
   0.09304504  0.56853393  0.09254585
   0.38018415  0.67324124  0.25785269
   0.06081721  0.83221791  0.04486999
   0.37945690  0.92534834  0.33048356
   0.41840912  0.88447956  0.15138237
   0.16176567  0.84859297  0.23385115
   0.31995035  0.64510954  0.45375114
   0.06595071  0.65742649  0.40722746
   0.14999497  0.56267223  0.58388402
   0.27317726  0.68365062  0.78436474
   0.12137733  0.81068875  0.53742933
   0.39271732  0.99155037  0.80356437
   0.45363379  0.92428441  0.62187469
   0.19813401  0.93613683  0.70275892
   0.25270253  0.66824971 -0.03209546
  -0.00623447  0.64526210  0.91635849
   0.60831068  0.07887141  0.11985101
   0.82796081  0.20635695  0.26520356
   0.60569682  0.30252926  0.04097704
   0.91608984  0.46445509  0.33472776
   0.01820864  0.36394142  0.18990583
   0.76962056  0.45197970  0.14304070
   0.78289739  0.19452394  0.45343608
   0.52229282  0.10377189  0.42636434
   0.65215914  0.08990424  0.60919460
   0.82053146  0.18077764  0.79621433
   0.55588889  0.32830272  0.53166071
   0.84009265  0.44458558  0.84964755
   0.95820719  0.40456379  0.65711584
   0.70784207  0.39536916  0.67884726
   0.78425916  0.12242940  0.96740050
   0.52979177  0.09180159  0.92461397
   0.55730863  0.56830536  0.07384183
   0.84656704  0.70631136  0.28147707
   0.62527834  0.83138432  0.04011566
   0.83853804  0.97755309  0.34402871
   0.89956879  0.91734615  0.16449359
   0.66375012  0.87181942  0.23053472
   0.80893611  0.63488065  0.45951598
   0.55728940  0.57200445  0.37753428
   0.59469783  0.58802986  0.55925755
   0.83551570  0.69819708  0.77987060
   0.59659465  0.80893967  0.44630525
   0.89214814  0.93929429  0.84432300
   0.95183111  0.85263043  0.66908997
   0.69336515  0.91166455  0.73856604
   0.74894789  0.64218564  0.95732835
   0.49372612  0.70650300  0.90280526
   0.69200073  0.82265005  0.57789323
   0.55637389  0.82571895  0.37866684
   0.87550956  0.21107551  0.09325800
   0.98077866  0.41599146  0.28562438
   0.32483611  0.14018248  0.64341621
   0.24236433  0.77789142  0.77204915
   0.03635779  1.14192226  0.14199709
   0.21537214  1.05231831  0.02244883
   0.61725613  0.35438611  0.83257477
   0.90185849  0.42709083  0.60058571
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943274    0.318659   -0.043196
    -0.000000    9.871669    0.042666
    -0.000000    0.000000   13.870302
   Si   O    H 
    32    64    10
Direct configuration=   769
   0.16831360  0.17385715 -0.02425638
   0.37940052  0.07589698  0.38063198
   0.13056085  0.40609964  0.11230769
   0.37753189  0.34109098  0.24741471
   0.11574222  0.15763662  0.49263713
   0.41338121  0.14135333  0.85334184
   0.10848027  0.41503556  0.62316874
   0.35256178  0.39937354  0.74977070
   0.10115802  0.67762266  0.00593080
   0.39284862  0.58431889  0.35982843
   0.06124117  0.92076515  0.14536474
   0.32809154  0.83710222  0.23735730
   0.16837629  0.66074541  0.49767259
   0.35051798  0.63739576  0.88166205
   0.08003417  0.91747832  0.61546451
   0.34398252  1.01050299  0.69137705
   0.62796136  0.14473077  1.00782006
   0.87228012  0.13875639  0.36464070
   0.61310293  0.42147194  0.11811872
   0.86921163  0.31059865  0.17309911
   0.62318292  0.17314566  0.50385394
   0.88867681  0.08858766  0.88363606
   0.57992866  0.44226366  0.61193026
   0.74922647  0.33950192  0.79011030
   0.59895639  0.68446024 -0.01015160
   0.91673488  0.61493974  0.36614636
   0.57780852  0.91812278  0.13293989
   0.81556447  0.86807520  0.26142334
   0.64542160  0.65408591  0.45607196
   0.85231849  0.60875692  0.87425705
   0.62436088  0.92911861  0.63242833
   0.84255271  0.85477479  0.75724191
   0.10821642  0.07773064  0.15495024
   0.36691049  0.18272304  0.28769115
   0.10399134  0.30261073  0.02716315
   0.34721789  0.42877159  0.34155521
   0.53021487  0.38573688  0.21944407
   0.28247482  0.39505851  0.15187110
   0.25523894  0.08942104  0.45579439
   0.02471010  0.15908684  0.39748279
   0.04361401  0.06500872  0.57862827
   0.43542960  0.24909400  0.77019527
   0.14280408  0.31930229  0.52380534
   0.36256150  0.46414140  0.85428597
   0.43701784  0.47026388  0.66085274
   0.20297590  0.35979339  0.71137234
   0.29248257  0.22014664 -0.08315833
   0.03700674  0.11221550  0.91241302
   0.09419878  0.56776772  0.09258603
   0.37768322  0.67402080  0.25844129
   0.06072031  0.83086711  0.04408437
   0.38004510  0.92411470  0.33024206
   0.41641122  0.88530694  0.15102560
   0.16129720  0.84714349  0.23348789
   0.32203117  0.64613147  0.45333117
   0.06647162  0.65880372  0.40647533
   0.14982176  0.56248315  0.58481716
   0.27258934  0.68635798  0.78471553
   0.12058899  0.81164515  0.53731533
   0.39272327  0.99240036  0.80328989
   0.45646917  0.92498036  0.62187746
   0.19821870  0.93630818  0.70121141
   0.25275722  0.66776906 -0.03243329
  -0.00720985  0.64623993  0.91661798
   0.60816536  0.07870249  0.11991943
   0.82877020  0.21033484  0.26615414
   0.60700612  0.30295209  0.04044931
   0.91689578  0.46633019  0.33424242
   0.01790723  0.36490144  0.18929750
   0.76913447  0.45205078  0.14406462
   0.78299525  0.19281173  0.45410575
   0.52204958  0.10481884  0.42609227
   0.65169597  0.09188362  0.61040884
   0.82094604  0.18341582  0.79589057
   0.55671946  0.32866618  0.53182879
   0.84118583  0.44637106  0.85022016
   0.95783766  0.40564226  0.65699284
   0.70718371  0.39649073  0.67703300
   0.78503495  0.12158252  0.96776857
   0.52995707  0.09250297  0.92556897
   0.55729171  0.56810402  0.07433812
   0.84627378  0.70763560  0.28194318
   0.62424733  0.83018588  0.03993278
   0.83900668  0.97769681  0.34362334
   0.89995446  0.91763117  0.16399162
   0.66318703  0.87297692  0.22933436
   0.80983615  0.63456025  0.45942722
   0.55833885  0.57288552  0.37817573
   0.59330835  0.58832925  0.56026371
   0.83461206  0.69708459  0.78017526
   0.59723442  0.81086009  0.44646276
   0.89072444  0.93973313  0.84397002
   0.95383318  0.85236780  0.66975125
   0.69326453  0.91067913  0.73888038
   0.74809378  0.64250767  0.95578543
   0.49386292  0.70523272  0.90387295
   0.69038474  0.81894704  0.57784097
   0.56168072  0.82779063  0.38291422
   0.87271268  0.20979642  0.09303006
   0.97807749  0.41836785  0.28851210
   0.32580237  0.13359202  0.64584049
   0.24357623  0.78876528  0.76783464
   0.03663161  1.14337960  0.13451243
   0.22491933  1.05382938  0.02894487
   0.61609409  0.34838183  0.82883543
   0.89590382  0.42646913  0.60305253
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943922    0.320859   -0.042008
    -0.000000    9.873066    0.044074
    -0.000000    0.000000   13.872041
   Si   O    H 
    32    64    10
Direct configuration=   770
   0.16894086  0.17419766 -0.02422413
   0.37860062  0.07595268  0.37947934
   0.13078892  0.40581377  0.11186490
   0.37706054  0.34055133  0.24833662
   0.11612297  0.15678528  0.49299996
   0.41383507  0.14137101  0.85400642
   0.10765438  0.41507997  0.62336560
   0.35279679  0.39895628  0.74916690
   0.10113545  0.67703374  0.00596510
   0.39310071  0.58237730  0.36054140
   0.06251453  0.92123575  0.14515243
   0.32659571  0.83555112  0.23765298
   0.16917371  0.66117923  0.49819649
   0.35206112  0.63623402  0.88159175
   0.08015799  0.91859109  0.61530585
   0.34504475  1.01090069  0.69076209
   0.62870893  0.14330023  1.00792463
   0.87441579  0.13804286  0.36516420
   0.61188700  0.42191398  0.11831582
   0.86898572  0.31088735  0.17341857
   0.62335875  0.17302919  0.50495395
   0.88940368  0.08875857  0.88440184
   0.57951067  0.44309668  0.61178193
   0.74877069  0.34035359  0.79002277
   0.59795832  0.68496262 -0.00962454
   0.91557632  0.61522896  0.36686289
   0.57835318  0.91649304  0.13258975
   0.81584471  0.86739660  0.26205812
   0.64479618  0.65238903  0.45716260
   0.85283482  0.60748694  0.87516914
   0.62445212  0.92885245  0.63233985
   0.84155743  0.85484325  0.75756367
   0.10751917  0.07799296  0.15354946
   0.36851387  0.18153465  0.28781073
   0.10281838  0.30240457  0.02632463
   0.34726055  0.42879466  0.34273522
   0.52857477  0.38421314  0.21774789
   0.28210725  0.39452750  0.15135614
   0.25577130  0.09021143  0.45554704
   0.02254249  0.15906352  0.39895139
   0.04224630  0.06344132  0.57784806
   0.43480050  0.24844940  0.76929104
   0.14284173  0.31863282  0.52346035
   0.36203199  0.46417415  0.85584963
   0.43586494  0.47108243  0.66189541
   0.20396572  0.35801825  0.71163795
   0.29040094  0.22148763 -0.08260836
   0.03728448  0.11246217  0.91198816
   0.09519164  0.56659818  0.09268117
   0.37526297  0.67548708  0.25888579
   0.06061666  0.82944086  0.04334615
   0.37983977  0.92271486  0.33021666
   0.41500045  0.88632308  0.15014634
   0.16035436  0.84525329  0.23293193
   0.32265784  0.64698783  0.45288126
   0.06711943  0.65933961  0.40562671
   0.14915454  0.56196499  0.58619702
   0.27219766  0.68967752  0.78431334
   0.11965758  0.81234014  0.53611397
   0.39227292  0.99351615  0.80286194
   0.45870224  0.92517740  0.62212557
   0.19776142  0.93672989  0.70007163
   0.25217030  0.66716338 -0.03267862
  -0.00678205  0.64753566  0.91688359
   0.60781020  0.07888006  0.12008443
   0.82996538  0.21464665  0.26712368
   0.60690231  0.30349722  0.03910964
   0.91766264  0.46753585  0.33365016
   0.01859433  0.36573420  0.18910458
   0.76897318  0.45137388  0.14475829
   0.78304559  0.19168943  0.45521028
   0.52155334  0.10504059  0.42628379
   0.65139479  0.09363476  0.61112024
   0.82091666  0.18601774  0.79547632
   0.55855542  0.32816743  0.53179912
   0.84220675  0.44883308  0.85081392
   0.95744015  0.40670425  0.65652224
   0.70654619  0.39734935  0.67574482
   0.78589663  0.12042603  0.96859750
   0.53053564  0.09295771  0.92670945
   0.55722185  0.56821532  0.07445662
   0.84570250  0.70906551  0.28218295
   0.62254975  0.82901899  0.04004910
   0.84020293  0.97773226  0.34286603
   0.89989373  0.91807599  0.16408722
   0.66208760  0.87433739  0.22863396
   0.81059203  0.63400876  0.45874391
   0.55870152  0.57340004  0.37843250
   0.59251410  0.58839581  0.56088854
   0.83376255  0.69618536  0.78028404
   0.59734109  0.81245105  0.44635857
   0.89016378  0.93950804  0.84365868
   0.95443373  0.85211164  0.67039545
   0.69248212  0.90970740  0.73921751
   0.74691393  0.64321217  0.95504047
   0.49414762  0.70437058  0.90401571
   0.68948308  0.81710142  0.57641945
   0.56648341  0.83392148  0.38448170
   0.87238974  0.21028161  0.09421040
   0.97813508  0.42536871  0.29035690
   0.32702289  0.13421033  0.64482005
   0.24897589  0.79337068  0.76590875
   0.03208343  1.14412825  0.12853816
   0.23428798  1.05810986  0.02951839
   0.61379295  0.34760571  0.82724156
   0.88822591  0.42499515  0.60749698
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944553    0.323065   -0.041219
    -0.000000    9.874438    0.044680
    -0.000000    0.000000   13.874146
   Si   O    H 
    32    64    10
Direct configuration=   771
   0.16898600  0.17375618 -0.02407703
   0.37765894  0.07577135  0.37828860
   0.13122319  0.40528542  0.11170431
   0.37637613  0.33954858  0.24887121
   0.11621008  0.15647391  0.49365542
   0.41379330  0.14152171  0.85482519
   0.10661180  0.41499460  0.62312392
   0.35295116  0.39833276  0.74891653
   0.10125391  0.67625985  0.00576238
   0.39413229  0.58040296  0.36127060
   0.06338504  0.92138082  0.14497606
   0.32526178  0.83409412  0.23795288
   0.17045751  0.66157934  0.49807899
   0.35286546  0.63455478  0.88099380
   0.08015980  0.91893676  0.61524921
   0.34607496  1.01021437  0.69027777
   0.62990165  0.14215936  1.00816972
   0.87617515  0.13766631  0.36489123
   0.61151720  0.42239573  0.11880650
   0.86826160  0.31147322  0.17362924
   0.62291167  0.17307754  0.50626252
   0.88961952  0.08908258  0.88491835
   0.57852101  0.44373763  0.61214409
   0.74851118  0.34023223  0.79016408
   0.59719542  0.68528994 -0.00888129
   0.91399955  0.61567710  0.36774621
   0.57835458  0.91475153  0.13219797
   0.81630134  0.86718072  0.26239778
   0.64429626  0.65056153  0.45834025
   0.85271350  0.60630932  0.87587494
   0.62435040  0.92891858  0.63254489
   0.84079640  0.85453573  0.75753734
   0.10638559  0.07804533  0.15183999
   0.36904695  0.18094680  0.28734770
   0.10136040  0.30303102  0.02557149
   0.34786889  0.42868914  0.34357276
   0.52710738  0.38273330  0.21600941
   0.28181420  0.39334317  0.15074519
   0.25709393  0.09019718  0.45549604
   0.02036085  0.15821551  0.40035042
   0.04103898  0.06255557  0.57713065
   0.43445274  0.24752778  0.76751139
   0.14322822  0.31786110  0.52391835
   0.36194485  0.46464798  0.85723676
   0.43430413  0.47160619  0.66304476
   0.20508902  0.35653811  0.71148925
   0.28971559  0.22255841 -0.08251430
   0.03812264  0.11352953  0.91214774
   0.09612430  0.56468990  0.09297500
   0.37248795  0.67676700  0.25982755
   0.06040908  0.82804830  0.04320917
   0.37982576  0.92073550  0.33000785
   0.41388383  0.88719267  0.14853153
   0.15841252  0.84402113  0.23155051
   0.32330235  0.64718821  0.45239694
   0.06663499  0.65958659  0.40452862
   0.14829755  0.56273608  0.58726730
   0.27150596  0.69318288  0.78302542
   0.11945972  0.81283636  0.53414508
   0.39167279  0.99424698  0.80327812
   0.46052019  0.92576756  0.62251349
   0.19765684  0.93690806  0.69911699
   0.25160660  0.66735683 -0.03294623
  -0.00621916  0.64828872  0.91753861
   0.60780469  0.07945337  0.11994776
   0.83137635  0.21947110  0.26744338
   0.60632169  0.30440136  0.03808027
   0.91723804  0.46868173  0.33298123
   0.01912372  0.36595970  0.18936686
   0.76880237  0.45071337  0.14586649
   0.78224189  0.18987223  0.45580448
   0.52150114  0.10588154  0.42649201
   0.65234615  0.09571741  0.61151683
   0.82051546  0.18852608  0.79448984
   0.56116903  0.32649905  0.53146607
   0.84309317  0.45064501  0.85048089
   0.95667315  0.40766518  0.65606643
   0.70651522  0.39770589  0.67462704
   0.78637925  0.11878023  0.96954077
   0.53111311  0.09240268  0.92773862
   0.55628145  0.56864047  0.07412376
   0.84585465  0.70987482  0.28232685
   0.62098248  0.82938426  0.04108739
   0.84204897  0.97741001  0.34200921
   0.89915281  0.91700829  0.16440927
   0.66240565  0.87606684  0.22828056
   0.81167640  0.63340571  0.45819927
   0.55920735  0.57382644  0.37830232
   0.59127071  0.58853676  0.56125157
   0.83318064  0.69494756  0.78013694
   0.59769389  0.81455255  0.44634937
   0.89029110  0.93982159  0.84435739
   0.95372992  0.85230737  0.67114244
   0.69133884  0.90898871  0.73936839
   0.74511877  0.64307523  0.95462937
   0.49473787  0.70306983  0.90424698
   0.68667221  0.81853471  0.57765687
   0.56677425  0.84319010  0.37877432
   0.87646642  0.21327454  0.09659084
   0.98763435  0.42960736  0.28861721
   0.32677391  0.13911258  0.64309682
   0.25619038  0.78521447  0.76709021
   0.03043811  1.14153788  0.12424035
   0.24319324  1.06275899  0.02954473
   0.60993775  0.34557110  0.82931832
   0.88322792  0.42029230  0.61216747
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945136    0.325598   -0.040130
    -0.000000    9.875634    0.046281
    -0.000000    0.000000   13.876305
   Si   O    H 
    32    64    10
Direct configuration=   772
   0.16925350  0.17318403 -0.02393427
   0.37688863  0.07569811  0.37692226
   0.13234260  0.40438175  0.11163030
   0.37621380  0.33843859  0.24948400
   0.11653152  0.15704605  0.49477171
   0.41326876  0.14132051  0.85584080
   0.10606859  0.41460991  0.62240855
   0.35368324  0.39703934  0.74878108
   0.10123094  0.67594742  0.00554892
   0.39530581  0.57877358  0.36186486
   0.06458070  0.92150062  0.14503356
   0.32395434  0.83324932  0.23860971
   0.17137697  0.66224487  0.49848511
   0.35334893  0.63302399  0.87993510
   0.08000100  0.91898979  0.61532845
   0.34729166  1.00911503  0.68958531
   0.63143025  0.14115684  1.00859469
   0.87659780  0.13730237  0.36422045
   0.61179034  0.42237881  0.11893985
   0.86728812  0.31221795  0.17401913
   0.62262662  0.17296566  0.50745775
   0.88917749  0.08975263  0.88505419
   0.57810204  0.44418364  0.61265657
   0.74889016  0.33999657  0.79015690
   0.59636283  0.68550699 -0.00777374
   0.91273434  0.61662454  0.36891214
   0.57806676  0.91285070  0.13190587
   0.81597535  0.86748669  0.26246594
   0.64370998  0.64885148  0.45938445
   0.85197917  0.60500238  0.87654995
   0.62396673  0.92917405  0.63319291
   0.84090526  0.85436758  0.75716472
   0.10605443  0.07782446  0.15021735
   0.36978639  0.18077763  0.28676033
   0.10065684  0.30348724  0.02463474
   0.34842534  0.42927611  0.34410064
   0.52553108  0.38107203  0.21483718
   0.28114791  0.39187143  0.15053249
   0.25790992  0.08987922  0.45551143
   0.01814169  0.15752438  0.40112955
   0.04053581  0.06314131  0.57632958
   0.43485483  0.24621318  0.76546656
   0.14337469  0.31720009  0.52443845
   0.36220655  0.46557109  0.85795392
   0.43385044  0.47114930  0.66474428
   0.20573567  0.35535537  0.71150844
   0.29001082  0.22319575 -0.08336236
   0.03965600  0.11497285  0.91230278
   0.09690303  0.56248140  0.09303511
   0.36910436  0.67747498  0.26114260
   0.06059747  0.82752758  0.04314241
   0.38012713  0.92010758  0.33062933
   0.41310381  0.88805275  0.14695213
   0.15686104  0.84386790  0.23016818
   0.32282075  0.64751516  0.45213886
   0.06508631  0.65922384  0.40360829
   0.14796192  0.56260526  0.58839617
   0.27150284  0.69524330  0.78180579
   0.11820351  0.81254321  0.53205566
   0.39136098  0.99535734  0.80380696
   0.46162401  0.92579822  0.62258700
   0.19833243  0.93692512  0.69782185
   0.25107132  0.66860008 -0.03338303
  -0.00557970  0.64945013  0.91854493
   0.60724115  0.07926438  0.11942410
   0.83294398  0.22349865  0.26773768
   0.60555583  0.30561423  0.03728194
   0.91655469  0.46919095  0.33254537
   0.01919912  0.36608703  0.18913930
   0.76889852  0.44969074  0.14695070
   0.78051311  0.18809835  0.45642223
   0.52207173  0.10733641  0.42660440
   0.65369318  0.09776080  0.61118027
   0.81981833  0.19138349  0.79438673
   0.56432423  0.32465015  0.53112214
   0.84373304  0.45219075  0.84997914
   0.95549035  0.40897655  0.65530846
   0.70687918  0.39778557  0.67376096
   0.78679865  0.11758277  0.97089144
   0.53122900  0.09210870  0.92792277
   0.55567247  0.57032779  0.07358217
   0.84640015  0.71112430  0.28225234
   0.62079710  0.83102172  0.04238862
   0.84392132  0.97715384  0.34124361
   0.89846829  0.91593037  0.16442764
   0.66264801  0.87703502  0.22789790
   0.81163591  0.63267523  0.45756563
   0.55953543  0.57432433  0.37750670
   0.59064832  0.58932842  0.56160425
   0.83230010  0.69389325  0.77984518
   0.59844580  0.81591417  0.44603082
   0.89062699  0.93960346  0.84455993
   0.95243017  0.85288444  0.67258945
   0.68891970  0.90752180  0.73952182
   0.74385410  0.64282883  0.95395054
   0.49533938  0.70232333  0.90401793
   0.68533295  0.81934750  0.57899634
   0.56724486  0.84821106  0.37807481
   0.87682466  0.21371830  0.09773778
   0.99502115  0.43728584  0.28882393
   0.32673288  0.14426411  0.64041129
   0.26080132  0.78348362  0.76963520
   0.02982840  1.13415181  0.12227210
   0.24740609  1.06653393  0.02758720
   0.60860209  0.34479369  0.83252281
   0.87661911  0.41168768  0.61523962
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945946    0.327752   -0.039187
    -0.000000    9.876570    0.048229
    -0.000000    0.000000   13.878357
   Si   O    H 
    32    64    10
Direct configuration=   773
   0.16938575  0.17238051 -0.02393413
   0.37601150  0.07556328  0.37571598
   0.13309239  0.40329860  0.11168890
   0.37598470  0.33788150  0.25029185
   0.11721163  0.15824453  0.49553043
   0.41241808  0.14065200  0.85670457
   0.10537830  0.41484840  0.62131137
   0.35424749  0.39579805  0.74882373
   0.10088319  0.67570559  0.00526343
   0.39701540  0.57803494  0.36221196
   0.06485533  0.92195338  0.14476779
   0.32338610  0.83268048  0.23965934
   0.17169627  0.66318087  0.49846492
   0.35339534  0.63216626  0.87869855
   0.07997873  0.91844533  0.61598757
   0.34778247  1.00825664  0.68902810
   0.63340839  0.14059002  1.00951609
   0.87652065  0.13680019  0.36339001
   0.61241175  0.42299521  0.11870463
   0.86665883  0.31365150  0.17404435
   0.62280879  0.17247948  0.50881613
   0.88846430  0.09063000  0.88534987
   0.57753459  0.44459304  0.61236393
   0.75008363  0.33981377  0.78994732
   0.59617957  0.68566956 -0.00676267
   0.91179989  0.61795442  0.36946219
   0.57734413  0.91169145  0.13181706
   0.81639562  0.86720680  0.26175977
   0.64306357  0.64760203  0.46072281
   0.85106887  0.60411155  0.87725357
   0.62325682  0.92921852  0.63371582
   0.84118728  0.85380421  0.75697338
   0.10553097  0.07718486  0.14943288
   0.37027153  0.18111420  0.28692669
   0.10068019  0.30386322  0.02331912
   0.34888981  0.43037749  0.34480078
   0.52346713  0.37964504  0.21354020
   0.28091741  0.38985766  0.15091704
   0.25845517  0.08910837  0.45515587
   0.01720098  0.15674208  0.40170747
   0.04030482  0.06507046  0.57579059
   0.43543843  0.24522158  0.76377449
   0.14329227  0.31623782  0.52480313
   0.36272029  0.46664225  0.85819446
   0.43298017  0.47014851  0.66615922
   0.20555081  0.35394660  0.71105673
   0.29126242  0.22395235 -0.08528329
   0.04142541  0.11644755  0.91306614
   0.09797856  0.56170436  0.09253284
   0.36648131  0.67756571  0.26248938
   0.06144956  0.82711667  0.04328401
   0.38064796  0.92031839  0.33109673
   0.41308849  0.88892791  0.14589450
   0.15619528  0.84417582  0.22852459
   0.32219364  0.64836231  0.45219999
   0.06363044  0.65867646  0.40231753
   0.14778507  0.56239500  0.58872822
   0.27223834  0.69537447  0.78131056
   0.11707533  0.81206025  0.52980552
   0.39186564  0.99556438  0.80388741
   0.46174818  0.92463632  0.62278240
   0.19974800  0.93651699  0.69683464
   0.25104715  0.67030111 -0.03374480
  -0.00455749  0.64974787  0.91988462
   0.60674843  0.07958531  0.11810949
   0.83486710  0.22691004  0.26903018
   0.60528476  0.30651280  0.03649581
   0.91591070  0.46967737  0.33213439
   0.01948031  0.36600151  0.18929918
   0.76846942  0.44822991  0.14850711
   0.77787948  0.18691317  0.45689924
   0.52312989  0.10854517  0.42772909
   0.65454466  0.09905122  0.61097583
   0.81937557  0.19425418  0.79411602
   0.56635970  0.32353906  0.53106680
   0.84334242  0.45330107  0.84926072
   0.95443744  0.41045965  0.65440090
   0.70739679  0.39731681  0.67344806
   0.78672217  0.11657484  0.97203528
   0.53214694  0.09205822  0.92872348
   0.55476897  0.57232651  0.07277750
   0.84772168  0.71265542  0.28218471
   0.62014413  0.83225851  0.04292062
   0.84592239  0.97691669  0.34115917
   0.89794665  0.91544917  0.16484331
   0.66280606  0.87841272  0.22777044
   0.81062262  0.63146578  0.45724785
   0.55939628  0.57508022  0.37670954
   0.59014976  0.59061336  0.56214342
   0.83203931  0.69267335  0.77946560
   0.59924063  0.81654576  0.44584662
   0.89131973  0.93981602  0.84421565
   0.95131788  0.85429701  0.67334689
   0.68658623  0.90627264  0.73912638
   0.74240237  0.64265691  0.95411675
   0.49604699  0.70195907  0.90375431
   0.68784372  0.82119046  0.58025053
   0.56848853  0.85061110  0.38377812
   0.87618079  0.21358049  0.09722009
   0.99804236  0.44708345  0.29179791
   0.32859783  0.14614498  0.63934809
   0.26269070  0.80322514  0.76822542
   0.03096072  1.12687273  0.12060295
   0.24812719  1.06750746  0.02450675
   0.61224614  0.34508116  0.83525606
   0.87089318  0.40380573  0.61704271
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947566    0.329490   -0.038201
    -0.000000    9.877712    0.050877
    -0.000000    0.000000   13.880684
   Si   O    H 
    32    64    10
Direct configuration=   774
   0.16839820  0.17125549 -0.02426317
   0.37534901  0.07543609  0.37462469
   0.13352627  0.40236960  0.11175368
   0.37616982  0.33764421  0.25049501
   0.11791644  0.15939371  0.49590744
   0.41119662  0.13975005  0.85773506
   0.10556826  0.41455805  0.62023781
   0.35441861  0.39469108  0.74937919
   0.10068264  0.67509374  0.00559393
   0.39825289  0.57801893  0.36235513
   0.06486376  0.92186975  0.14428856
   0.32324989  0.83208930  0.24021094
   0.17162815  0.66427451  0.49791650
   0.35393618  0.63151745  0.87749562
   0.08048601  0.91718697  0.61678623
   0.34749750  1.00789730  0.68875801
   0.63473196  0.14076933  1.01060523
   0.87548161  0.13616094  0.36274025
   0.61307265  0.42379925  0.11871999
   0.86599361  0.31481951  0.17448226
   0.62327794  0.17222289  0.50982760
   0.88742008  0.09113267  0.88516010
   0.57712480  0.44447882  0.61224384
   0.75101260  0.34058900  0.78956515
   0.59656837  0.68559014 -0.00587816
   0.91100528  0.61912455  0.36987954
   0.57592421  0.91094873  0.13178322
   0.81592390  0.86709358  0.26095552
   0.64219112  0.64701251  0.46220877
   0.84995911  0.60368562  0.87755860
   0.62212672  0.92934482  0.63439258
   0.84182707  0.85330851  0.75681850
   0.10508430  0.07625229  0.14943669
   0.37045213  0.18155109  0.28658510
   0.10057112  0.30471588  0.02184588
   0.34986601  0.43093021  0.34522076
   0.52210782  0.37841292  0.21264066
   0.28080496  0.38759581  0.15156811
   0.25843551  0.08801842  0.45517499
   0.01734645  0.15476526  0.40266597
   0.04081831  0.06735056  0.57498735
   0.43640990  0.24470321  0.76235438
   0.14323552  0.31587758  0.52523888
   0.36354117  0.46820894  0.85812625
   0.43263412  0.46968508  0.66782669
   0.20464558  0.35291922  0.70997800
   0.29230463  0.22423568 -0.08716572
   0.04349559  0.11791741  0.91357685
   0.09898666  0.56128367  0.09196301
   0.36432721  0.67671906  0.26395382
   0.06206743  0.82705398  0.04346176
   0.38144791  0.92002209  0.33165060
   0.41263419  0.88936411  0.14506038
   0.15579541  0.84573090  0.22705659
   0.32101653  0.64914313  0.45235221
   0.06247702  0.65898366  0.40148363
   0.14793651  0.56185360  0.58881868
   0.27278711  0.69577164  0.78013152
   0.11625986  0.81185633  0.52750392
   0.39282947  0.99660590  0.80367370
   0.46088014  0.92387343  0.62283253
   0.20166850  0.93579357  0.69627714
   0.25114704  0.67185178 -0.03424768
  -0.00353622  0.64992037  0.92108341
   0.60587124  0.07980281  0.11683086
   0.83639375  0.22926936  0.27005212
   0.60509662  0.30630194  0.03589177
   0.91546840  0.46941309  0.33143555
   0.01995872  0.36705345  0.18932153
   0.76859305  0.44774419  0.14951782
   0.77540399  0.18574763  0.45720372
   0.52443722  0.10954488  0.42826402
   0.65486049  0.09989485  0.61050084
   0.81905078  0.19637972  0.79401099
   0.56767715  0.32312552  0.53158377
   0.84211270  0.45364832  0.84817535
   0.95317260  0.41177207  0.65391467
   0.70706519  0.39763870  0.67375476
   0.78625536  0.11601717  0.97315321
   0.53321105  0.09312745  0.92953842
   0.55380259  0.57431909  0.07217124
   0.84967566  0.71355568  0.28242356
   0.61998219  0.83285815  0.04273786
   0.84802820  0.97654758  0.34167008
   0.89828410  0.91570966  0.16519584
   0.66226880  0.87992481  0.22757335
   0.80926164  0.63029577  0.45691124
   0.55906705  0.57567803  0.37551894
   0.59045024  0.59154506  0.56202044
   0.83137192  0.69152609  0.77929699
   0.60037415  0.81612445  0.44594086
   0.89239105  0.94046840  0.84377580
   0.95021700  0.85562725  0.67369394
   0.68391355  0.90503542  0.73931553
   0.74071077  0.64259959  0.95528495
   0.49674430  0.70103351  0.90369104
   0.68873732  0.82441995  0.58207847
   0.57017213  0.85173094  0.38672738
   0.87916182  0.21776338  0.09750410
   1.00034412  0.45337108  0.29562666
   0.33198788  0.14613922  0.64158019
   0.26725322  0.80979351  0.76888393
   0.02615905  1.12760681  0.11688886
   0.24753462  1.06735488  0.02190019
   0.61984351  0.34464743  0.83731730
   0.86688194  0.39226458  0.61711924
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949361    0.331535   -0.037093
    -0.000000    9.878935    0.053483
    -0.000000    0.000000   13.883251
   Si   O    H 
    32    64    10
Direct configuration=   775
   0.16732670  0.17043579 -0.02445820
   0.37463176  0.07580181  0.37389213
   0.13387895  0.40169150  0.11147412
   0.37678956  0.33723797  0.25046368
   0.11860406  0.16056457  0.49632290
   0.40984353  0.13895252  0.85833585
   0.10628390  0.41349455  0.61955111
   0.35460571  0.39399738  0.74987143
   0.10077811  0.67489426  0.00532113
   0.39973765  0.57880822  0.36231204
   0.06381895  0.92175432  0.14386460
   0.32277958  0.83135916  0.24062730
   0.17145658  0.66473288  0.49773863
   0.35419949  0.63163599  0.87663926
   0.08044839  0.91638532  0.61783356
   0.34769604  1.00755297  0.68860438
   0.63608073  0.14080361  1.01178568
   0.87427614  0.13567596  0.36215031
   0.61340871  0.42485985  0.11836848
   0.86532677  0.31589617  0.17506048
   0.62432819  0.17247337  0.51038432
   0.88632282  0.09175311  0.88490741
   0.57679913  0.44453598  0.61201250
   0.75112960  0.34179936  0.78860644
   0.59687283  0.68474161 -0.00510797
   0.91067249  0.61990306  0.37019152
   0.57466761  0.91112957  0.13206020
   0.81509108  0.86721050  0.26004560
   0.64142755  0.64716868  0.46359460
   0.84822532  0.60334381  0.87808038
   0.62140336  0.92958824  0.63525798
   0.84185441  0.85323261  0.75641294
   0.10478457  0.07533154  0.14904411
   0.36985725  0.18103143  0.28587499
   0.10008082  0.30583249  0.02049585
   0.35125878  0.43078494  0.34568934
   0.52181527  0.37747083  0.21185931
   0.28217580  0.38539447  0.15289604
   0.25875182  0.08631740  0.45520940
   0.01827448  0.15338137  0.40389302
   0.04100565  0.06973791  0.57404126
   0.43715630  0.24475802  0.76111343
   0.14304026  0.31576260  0.52566227
   0.36376873  0.47019439  0.85784975
   0.43281727  0.46907189  0.66905541
   0.20314134  0.35226236  0.70888977
   0.29441494  0.22431760 -0.08904897
   0.04577658  0.11916681  0.91395558
   0.09954919  0.56128734  0.09136432
   0.36256402  0.67600829  0.26508477
   0.06370015  0.82705906  0.04377563
   0.38244376  0.92020414  0.33201798
   0.41190216  0.88859080  0.14458413
   0.15621221  0.84623831  0.22577742
   0.31978414  0.64936623  0.45194961
   0.06159881  0.65930618  0.40076416
   0.14892083  0.56154642  0.58889516
   0.27398958  0.69759408  0.77881059
   0.11594875  0.81273140  0.52611816
   0.39357332  0.99752284  0.80299215
   0.46034896  0.92256614  0.62238078
   0.20301308  0.93537212  0.69599534
   0.25195792  0.67207369 -0.03506515
  -0.00278283  0.64932592  0.92243443
   0.60539560  0.07934280  0.11561941
   0.83789074  0.23134872  0.27116028
   0.60474272  0.30675610  0.03528049
   0.91558854  0.46816583  0.33139318
   0.02047457  0.36741621  0.18904514
   0.76844080  0.44655236  0.14985659
   0.77361123  0.18458975  0.45744440
   0.52595827  0.10920155  0.42887236
   0.65580958  0.10045546  0.61003699
   0.81891160  0.19682660  0.79457449
   0.56877922  0.32336102  0.53194737
   0.84154500  0.45337320  0.84732225
   0.95290960  0.41360209  0.65324285
   0.70700970  0.39734736  0.67485537
   0.78596107  0.11591915  0.97469422
   0.53376613  0.09430033  0.93029752
   0.55353678  0.57537506  0.07183638
   0.85154716  0.71407357  0.28296252
   0.61952977  0.83296270  0.04239025
   0.85056250  0.97598541  0.34291489
   0.89907168  0.91550242  0.16554443
   0.66196498  0.88113888  0.22777221
   0.80638705  0.62891448  0.45650999
   0.55988883  0.57633625  0.37462250
   0.59082428  0.59271667  0.56186295
   0.83126440  0.69033635  0.77924186
   0.60091867  0.81482210  0.44643598
   0.89377622  0.94128389  0.84405167
   0.94960992  0.85749914  0.67379372
   0.68125453  0.90402725  0.74005080
   0.73902066  0.64342061  0.95671327
   0.49749890  0.70056840  0.90298087
   0.69374266  0.82446891  0.58119882
   0.56706589  0.85413060  0.38398313
   0.87972336  0.22060977  0.09766521
   0.99935153  0.45489101  0.30091713
   0.33496949  0.13910307  0.64474261
   0.27094143  0.79678876  0.77241917
   0.02251254  1.13352809  0.11401643
   0.24689399  1.06305363  0.02288274
   0.62909914  0.34088726  0.83757556
   0.86935886  0.38272589  0.61850929
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951469    0.333959   -0.036701
    -0.000000    9.880067    0.055880
    -0.000000    0.000000   13.886058
   Si   O    H 
    32    64    10
Direct configuration=   776
   0.16683691  0.16968819 -0.02467475
   0.37371747  0.07670557  0.37309202
   0.13498797  0.40096495  0.11077629
   0.37728873  0.33724477  0.25029900
   0.11974664  0.16153591  0.49647271
   0.40917626  0.13827361  0.85862832
   0.10691373  0.41246073  0.61882549
   0.35447218  0.39294091  0.75066161
   0.10111129  0.67463076  0.00534447
   0.40077429  0.57908457  0.36239847
   0.06236190  0.92128110  0.14282447
   0.32224783  0.83026349  0.24109185
   0.17063244  0.66509241  0.49730223
   0.35409338  0.63208012  0.87582916
   0.08022042  0.91555782  0.61841211
   0.34770300  1.00682851  0.68841367
   0.63744353  0.14174172  1.01306834
   0.87299155  0.13530586  0.36159567
   0.61301819  0.42614990  0.11713819
   0.86492017  0.31685122  0.17518940
   0.62506963  0.17228929  0.51073953
   0.88581176  0.09302518  0.88399167
   0.57573881  0.44457708  0.61175930
   0.75016360  0.34337332  0.78809591
   0.59719717  0.68391420 -0.00427965
   0.91080120  0.62052968  0.37068847
   0.57341212  0.91163018  0.13261892
   0.81437052  0.86745184  0.25909227
   0.64084639  0.64888201  0.46466577
   0.84641227  0.60361236  0.87851170
   0.62062217  0.93066449  0.63630375
   0.84155436  0.85340365  0.75607263
   0.10369712  0.07489482  0.14801912
   0.36934830  0.18204430  0.28546654
   0.09971703  0.30704229  0.01956816
   0.35238276  0.43045671  0.34619851
   0.52158828  0.37656622  0.21105567
   0.28332227  0.38290919  0.15443728
   0.25908671  0.08461285  0.45515717
   0.01897122  0.15215063  0.40470080
   0.04163131  0.07164763  0.57350723
   0.43815730  0.24504519  0.76050529
   0.14314811  0.31666577  0.52602288
   0.36414938  0.47228937  0.85731654
   0.43320974  0.46920237  0.66961807
   0.20231512  0.35166402  0.70786231
   0.29627902  0.22525101 -0.09049152
   0.04766624  0.12011702  0.91484797
   0.10050197  0.56170105  0.09060142
   0.36055358  0.67518070  0.26561309
   0.06525843  0.82780209  0.04358140
   0.38369782  0.92015191  0.33196156
   0.41092360  0.88779911  0.14431980
   0.15713674  0.84691740  0.22523216
   0.31792014  0.64882301  0.45147566
   0.06133366  0.65875840  0.40023290
   0.14996933  0.56094426  0.58804132
   0.27572363  0.69904537  0.77717077
   0.11545768  0.81486784  0.52540792
   0.39408708  0.99793143  0.80216687
   0.45993095  0.92081921  0.62245074
   0.20389717  0.93443209  0.69615859
   0.25365064  0.67238849 -0.03543699
  -0.00186925  0.64825224  0.92374471
   0.60522369  0.07901708  0.11427214
   0.83970625  0.23330933  0.27240045
   0.60488279  0.30651276  0.03481648
   0.91531595  0.46765370  0.33149522
   0.02005827  0.36741809  0.18849609
   0.76834757  0.44549329  0.15019186
   0.77184736  0.18436898  0.45757983
   0.52741755  0.10878158  0.42967938
   0.65623555  0.10146463  0.60946153
   0.81920960  0.19700365  0.79509035
   0.56911278  0.32359127  0.53205403
   0.84097137  0.45294476  0.84622534
   0.95206767  0.41541766  0.65224183
   0.70718202  0.39713541  0.67611418
   0.78513363  0.11580569  0.97551319
   0.53486138  0.09465707  0.93090928
   0.55290918  0.57548731  0.07220253
   0.85314986  0.71488985  0.28358101
   0.61865561  0.83203313  0.04112984
   0.85290430  0.97450718  0.34386459
   0.89986669  0.91503463  0.16540920
   0.66078860  0.88156813  0.22815615
   0.80260558  0.62738565  0.45598746
   0.56004556  0.57639641  0.37367309
   0.59196740  0.59432138  0.56185558
   0.83120365  0.68983044  0.77951314
   0.60190091  0.81287207  0.44664064
   0.89488685  0.94218060  0.84492989
   0.94913619  0.85954869  0.67431334
   0.67929600  0.90190205  0.74107634
   0.73804327  0.64362117  0.95825865
   0.49828011  0.69978164  0.90236002
   0.70185641  0.82458970  0.58022630
   0.56663140  0.85238017  0.38287788
   0.87933562  0.22380965  0.09601383
   1.00503346  0.45228172  0.30454762
   0.33491391  0.13535486  0.64642299
   0.27053018  0.78406311  0.77661244
   0.03084356  1.13451422  0.11746433
   0.24421066  1.05822047  0.02640669
   0.63147710  0.33940084  0.83845165
   0.87907968  0.37795894  0.61932394
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953692    0.336336   -0.035960
    -0.000000    9.880927    0.058298
    -0.000000    0.000000   13.888624
   Si   O    H 
    32    64    10
Direct configuration=   777
   0.16697940  0.16868520 -0.02507341
   0.37345494  0.07750750  0.37293533
   0.13615424  0.40023892  0.10981537
   0.37751359  0.33738384  0.25013754
   0.12101819  0.16168169  0.49612035
   0.40906701  0.13728555  0.85845352
   0.10777361  0.41145835  0.61817156
   0.35459802  0.39161220  0.75144544
   0.10133016  0.67435247  0.00555667
   0.40164823  0.58000666  0.36251424
   0.06076602  0.92032886  0.14202925
   0.32205984  0.82923971  0.24112648
   0.16940226  0.66590381  0.49628354
   0.35331922  0.63289384  0.87512647
   0.07960357  0.91463786  0.61854037
   0.34756963  1.00598919  0.68829140
   0.63874389  0.14256474  1.01465406
   0.87138931  0.13553472  0.36129678
   0.61199454  0.42668607  0.11565088
   0.86482952  0.31696400  0.17508566
   0.62558191  0.17284026  0.51069975
   0.88624951  0.09401454  0.88296518
   0.57500302  0.44461072  0.61115525
   0.74971325  0.34498085  0.78790588
   0.59706470  0.68366952 -0.00340519
   0.91073771  0.62120570  0.37122874
   0.57253000  0.91294367  0.13308189
   0.81445154  0.86797597  0.25823582
   0.64077381  0.65069299  0.46517489
   0.84572987  0.60381349  0.87865819
   0.62068033  0.93201593  0.63698624
   0.84107352  0.85329331  0.75593555
   0.10234822  0.07487207  0.14698460
   0.36843624  0.18323007  0.28504184
   0.10001667  0.30857650  0.01911193
   0.35378270  0.42967942  0.34650127
   0.52193165  0.37483541  0.21017767
   0.28527248  0.38008251  0.15603034
   0.25904446  0.08336151  0.45537876
   0.01950795  0.15128647  0.40567153
   0.04186935  0.07292165  0.57353165
   0.43955145  0.24517676  0.75982896
   0.14348757  0.31726847  0.52667155
   0.36488390  0.47388580  0.85675614
   0.43329705  0.46976331  0.67003242
   0.20196516  0.35201329  0.70728956
   0.29780978  0.22655779 -0.09139458
   0.04877021  0.11985013  0.91541595
   0.10173560  0.56272832  0.08990918
   0.35939924  0.67381821  0.26642741
   0.06766900  0.82934275  0.04350979
   0.38551855  0.91999425  0.33184846
   0.40886404  0.88646413  0.14423288
   0.15830350  0.84837602  0.22524951
   0.31593763  0.64773806  0.45086691
   0.06112004  0.65778637  0.39982955
   0.15171305  0.55968141  0.58749815
   0.27836696  0.69758921  0.77581750
   0.11544458  0.81670255  0.52500293
   0.39445163  0.99857744  0.80129770
   0.45908943  0.91875683  0.62230897
   0.20502136  0.93394090  0.69650463
   0.25456631  0.67231735 -0.03559873
  -0.00203202  0.64664893  0.92478144
   0.60474562  0.07821595  0.11310219
   0.84111121  0.23589383  0.27366019
   0.60545480  0.30576343  0.03401941
   0.91491195  0.46682776  0.33199967
   0.02054544  0.36690120  0.18817937
   0.76800889  0.44494970  0.15094334
   0.77121730  0.18384610  0.45763829
   0.52767066  0.10817248  0.43047069
   0.65693296  0.10182361  0.60926176
   0.81949677  0.19596724  0.79614995
   0.56942503  0.32383925  0.53209264
   0.84038141  0.45217625  0.84515996
   0.95139136  0.41774953  0.65172429
   0.70719510  0.39663435  0.67789055
   0.78529948  0.11558098  0.97580682
   0.53605252  0.09483771  0.93181250
   0.55249793  0.57534128  0.07347282
   0.85496618  0.71569529  0.28367305
   0.61885325  0.83019136  0.03986445
   0.85495334  0.97359059  0.34448343
   0.89980371  0.91439334  0.16512495
   0.66025780  0.88204201  0.22847713
   0.79912519  0.62580977  0.45622768
   0.56101822  0.57603985  0.37292838
   0.59300333  0.59533936  0.56220051
   0.83089833  0.68918050  0.77957389
   0.60257974  0.81170054  0.44690464
   0.89544757  0.94321363  0.84607290
   0.94954567  0.86199762  0.67466320
   0.67709087  0.89986219  0.74233127
   0.73741014  0.64377494  0.95954660
   0.49871275  0.69810635  0.90146918
   0.70692487  0.82885671  0.57828332
   0.56814163  0.84622196  0.38691200
   0.87927700  0.22508912  0.09433792
   1.00437867  0.44614481  0.30441222
   0.33227819  0.13744503  0.64778891
   0.26637368  0.80543798  0.77880641
   0.04129730  1.13826078  0.12494765
   0.23923473  1.05661345  0.02910118
   0.62695520  0.33419553  0.84659586
   0.87992666  0.36933036  0.61708780
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956127    0.339544   -0.034585
    -0.000000    9.881898    0.060073
    -0.000000    0.000000   13.890829
   Si   O    H 
    32    64    10
Direct configuration=   778
   0.16804057  0.16774534 -0.02513308
   0.37407348  0.07871685  0.37284593
   0.13743753  0.39968913  0.10880806
   0.37789431  0.33749598  0.24982898
   0.12180670  0.16245049  0.49526394
   0.40909287  0.13706375  0.85777217
   0.10877744  0.41035350  0.61764250
   0.35395978  0.39068885  0.75203426
   0.10256607  0.67364911  0.00579790
   0.40271699  0.58032622  0.36269055
   0.05962827  0.91897307  0.14101445
   0.32175233  0.82801332  0.24116048
   0.16761810  0.66681207  0.49522358
   0.35239069  0.63433358  0.87456979
   0.07894767  0.91404427  0.61809911
   0.34783240  1.00467171  0.68802775
   0.64007689  0.14343751  1.01567979
   0.86994605  0.13594193  0.36188058
   0.61059089  0.42728565  0.11409634
   0.86435970  0.31671572  0.17449211
   0.62647755  0.17330841  0.51055251
   0.88667642  0.09475161  0.88193195
   0.57430627  0.44476201  0.61022468
   0.74870467  0.34603070  0.78804640
   0.59609033  0.68324262 -0.00272793
   0.91018791  0.62160926  0.37147459
   0.57136223  0.91421689  0.13344316
   0.81443457  0.86899502  0.25734889
   0.64052450  0.65269583  0.46525725
   0.84538787  0.60396263  0.87897302
   0.62125424  0.93320070  0.63706058
   0.84031703  0.85305474  0.75588561
   0.10166116  0.07390818  0.14607337
   0.36704949  0.18422906  0.28397786
   0.10076814  0.30949919  0.01861983
   0.35446655  0.42884795  0.34686485
   0.52266673  0.37309042  0.20861286
   0.28639687  0.37666185  0.15807560
   0.25931268  0.08192584  0.45502509
   0.01984420  0.14997490  0.40653201
   0.04213008  0.07353605  0.57404801
   0.44097554  0.24470479  0.76012628
   0.14353302  0.31719381  0.52703626
   0.36660725  0.47454126  0.85567797
   0.43430570  0.47043814  0.67022898
   0.20210486  0.35249854  0.70699228
   0.29830777  0.22806705 -0.09196424
   0.04869525  0.11890091  0.91564921
   0.10344316  0.56365873  0.08979196
   0.35854389  0.67189540  0.26746151
   0.07035676  0.83081206  0.04366444
   0.38793600  0.91986723  0.33127123
   0.40724323  0.88507015  0.14455376
   0.15936326  0.84948452  0.22557253
   0.31427990  0.64660272  0.45020076
   0.06122701  0.65787518  0.39888470
   0.15352255  0.55877580  0.58681755
   0.28063673  0.69605516  0.77473280
   0.11601663  0.81862937  0.52446304
   0.39418245  0.99985500  0.80083525
   0.45839522  0.91640596  0.62233455
   0.20516763  0.93382994  0.69615285
   0.25534798  0.67279929 -0.03587207
  -0.00302578  0.64439901  0.92506512
   0.60407619  0.07703816  0.11310008
   0.84170313  0.23825837  0.27499203
   0.60608527  0.30545608  0.03301208
   0.91465339  0.46607460  0.33278328
   0.02102571  0.36608449  0.18825009
   0.76804570  0.44490076  0.15168232
   0.77103230  0.18266009  0.45768156
   0.52809006  0.10692212  0.43095419
   0.65795008  0.10202999  0.60992578
   0.82008854  0.19417998  0.79724729
   0.56980085  0.32446250  0.53217041
   0.83934633  0.45181238  0.84399962
   0.95073991  0.41943363  0.65088283
   0.70702940  0.39650466  0.67993696
   0.78569916  0.11476860  0.97627722
   0.53746535  0.09553325  0.93195338
   0.55237094  0.57412540  0.07472867
   0.85704552  0.71732571  0.28375796
   0.61924287  0.82923349  0.03865367
   0.85600371  0.97218537  0.34483606
   0.90016301  0.91313413  0.16512012
   0.66006410  0.88293473  0.22873241
   0.79604786  0.62414966  0.45583782
   0.56237498  0.57619208  0.37248527
   0.59439760  0.59670401  0.56358552
   0.83082782  0.68970916  0.77963390
   0.60291290  0.81092887  0.44687953
   0.89676179  0.94419863  0.84678711
   0.94920400  0.86494654  0.67480485
   0.67645881  0.89744680  0.74331092
   0.73800459  0.64365580  0.96030527
   0.49955741  0.69677076  0.90034311
   0.71154555  0.83776075  0.57691299
   0.56446233  0.83714518  0.38886290
   0.87712359  0.22223502  0.09489485
   1.00510071  0.43916610  0.30532236
   0.32581905  0.14011053  0.64843303
   0.26331619  0.81429483  0.78086582
   0.03829569  1.15295954  0.13068819
   0.23085112  1.05807836  0.02833316
   0.62202078  0.33078753  0.85545793
   0.88380391  0.36477654  0.61412685
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958342    0.342100   -0.033435
    -0.000000    9.883430    0.062645
    -0.000000    0.000000   13.893173
   Si   O    H 
    32    64    10
Direct configuration=   779
   0.16947348  0.16651162 -0.02549170
   0.37491747  0.08068201  0.37242420
   0.13885535  0.39901612  0.10808853
   0.37852924  0.33822205  0.24970729
   0.12261610  0.16328326  0.49488552
   0.40910419  0.13745873  0.85673754
   0.10924928  0.40980322  0.61723805
   0.35297238  0.38990710  0.75252133
   0.10391385  0.67289179  0.00583245
   0.40361271  0.58068136  0.36233043
   0.05905525  0.91753115  0.13971965
   0.32183838  0.82713583  0.24086032
   0.16529565  0.66744163  0.49432621
   0.35123681  0.63594649  0.87417981
   0.07815440  0.91376596  0.61732222
   0.34759832  1.00314472  0.68717907
   0.64075584  0.14433485  1.01657736
   0.86838710  0.13662807  0.36286838
   0.60893692  0.42799644  0.11265274
   0.86451927  0.31630952  0.17393549
   0.62715364  0.17423984  0.50982866
   0.88733198  0.09517935  0.88126086
   0.57366121  0.44496636  0.60932774
   0.74757425  0.34678882  0.78833576
   0.59513303  0.68314514 -0.00235792
   0.90998901  0.62186908  0.37207799
   0.57014805  0.91576784  0.13387738
   0.81422370  0.86983009  0.25671274
   0.64042458  0.65394721  0.46456266
   0.84509820  0.60431731  0.87891247
   0.62185167  0.93422952  0.63662448
   0.83932688  0.85270992  0.75636026
   0.10152333  0.07327754  0.14561943
   0.36629955  0.18499404  0.28302961
   0.10169873  0.30997827  0.01835454
   0.35520049  0.42733787  0.34710406
   0.52368854  0.37201201  0.20727531
   0.28660644  0.37349735  0.15998227
   0.26010570  0.08115855  0.45450284
   0.01962601  0.14868995  0.40726266
   0.04260544  0.07353586  0.57436329
   0.44300907  0.24351811  0.76039788
   0.14455619  0.31700185  0.52701918
   0.36829998  0.47520916  0.85464707
   0.43602698  0.47092361  0.67005159
   0.20175331  0.35276793  0.70659013
   0.29847992  0.22935827 -0.09245642
   0.04752025  0.11751656  0.91541613
   0.10578538  0.56355100  0.09012563
   0.35822373  0.67034449  0.26862625
   0.07321794  0.83139519  0.04385967
   0.38994039  0.91943658  0.33085197
   0.40602048  0.88408545  0.14516836
   0.16077379  0.85048506  0.22554134
   0.31235892  0.64644139  0.44923379
   0.06114990  0.65786801  0.39832161
   0.15530061  0.55830952  0.58603802
   0.28308826  0.69565596  0.77388524
   0.11588021  0.82061566  0.52431887
   0.39317624  1.00001889  0.80030994
   0.45920457  0.91487901  0.62240140
   0.20579862  0.93365597  0.69530687
   0.25631730  0.67259305 -0.03600626
  -0.00450199  0.64234739  0.92430838
   0.60364934  0.07490463  0.11350793
   0.84187877  0.23996374  0.27553445
   0.60698540  0.30591478  0.03144011
   0.91465019  0.46554525  0.33360803
   0.02136926  0.36548600  0.18815298
   0.76774876  0.44497469  0.15237203
   0.77082383  0.18150821  0.45697456
   0.52787265  0.10464078  0.43153653
   0.65836364  0.10081820  0.61124109
   0.82081706  0.19258804  0.79784257
   0.56952761  0.32527230  0.53173718
   0.83903988  0.45098369  0.84229172
   0.95154523  0.42130423  0.64915505
   0.70633754  0.39618319  0.68150121
   0.78592285  0.11408445  0.97632075
   0.53832616  0.09714972  0.93176314
   0.55226783  0.57281357  0.07642707
   0.85905030  0.71829019  0.28421683
   0.61863811  0.82864977  0.03805247
   0.85635307  0.97063650  0.34491209
   0.90060257  0.91210780  0.16466730
   0.65978240  0.88299518  0.22863317
   0.79445730  0.62181482  0.45598349
   0.56386473  0.57647882  0.37245477
   0.59574196  0.59714505  0.56530567
   0.83040844  0.69009029  0.78052322
   0.60400938  0.81089666  0.44736723
   0.89777642  0.94486482  0.84767972
   0.94820863  0.86704944  0.67475457
   0.67668086  0.89464181  0.74453419
   0.73978790  0.64328807  0.96055782
   0.50058725  0.69563912  0.89882053
   0.71373819  0.85065825  0.58018561
   0.55728525  0.83366588  0.38113479
   0.87068868  0.22146541  0.09498910
   0.99896046  0.43217097  0.30500806
   0.31749825  0.14397781  0.64683045
   0.25959295  0.80230445  0.78154927
   0.03579160  1.15944584  0.13871799
   0.22617282  1.05398761  0.02998202
   0.62440273  0.32725357  0.85854553
   0.89062704  0.36518683  0.61543963
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960911    0.345032   -0.032025
    -0.000000    9.885207    0.065776
    -0.000000    0.000000   13.895977
   Si   O    H 
    32    64    10
Direct configuration=   780
   0.17083089  0.16516143 -0.02567176
   0.37589232  0.08237548  0.37222951
   0.13951530  0.39970190  0.10761499
   0.37939567  0.33886246  0.24954930
   0.12335722  0.16332509  0.49442326
   0.40982318  0.13831661  0.85562114
   0.10914778  0.40907749  0.61689524
   0.35188519  0.38944706  0.75284591
   0.10532863  0.67293415  0.00581270
   0.40456232  0.58092166  0.36182199
   0.05879125  0.91613321  0.13862543
   0.32234268  0.82641533  0.24067196
   0.16275973  0.66790691  0.49383393
   0.35034246  0.63756707  0.87422010
   0.07804202  0.91364821  0.61622181
   0.34776143  1.00207168  0.68592587
   0.64149877  0.14593344  1.01684802
   0.86669396  0.13708364  0.36443684
   0.60709236  0.42782528  0.11133660
   0.86454432  0.31581107  0.17361472
   0.62777682  0.17523956  0.50917017
   0.88814741  0.09584552  0.88058087
   0.57284046  0.44499598  0.60878159
   0.74590152  0.34702708  0.78911189
   0.59431547  0.68292492 -0.00250282
   0.91000840  0.62303535  0.37282476
   0.56829503  0.91771917  0.13420292
   0.81519476  0.87047630  0.25570186
   0.64021851  0.65547425  0.46378010
   0.84514477  0.60486620  0.87929205
   0.62218036  0.93583644  0.63633805
   0.83838635  0.85305200  0.75705669
   0.10137555  0.07336432  0.14553547
   0.36537832  0.18583509  0.28204249
   0.10365459  0.31028527  0.01797051
   0.35582488  0.42531841  0.34691629
   0.52475152  0.37217530  0.20578675
   0.28535812  0.36986350  0.16201656
   0.26022394  0.08108575  0.45460828
   0.01969347  0.14659089  0.40825632
   0.04337346  0.07271566  0.57392469
   0.44430729  0.24204021  0.76065903
   0.14499127  0.31587554  0.52690211
   0.37038791  0.47544193  0.85330827
   0.43793570  0.47065328  0.66974716
   0.20217187  0.35326209  0.70691991
   0.29808030  0.22945962 -0.09230142
   0.04630501  0.11634923  0.91460955
   0.10724710  0.56294375  0.08998701
   0.35686474  0.66874171  0.26928478
   0.07624162  0.83124827  0.04370941
   0.39162975  0.91914655  0.33038305
   0.40520929  0.88363511  0.14546111
   0.16195921  0.85160513  0.22561296
   0.31117611  0.64521137  0.44831480
   0.06106169  0.65781856  0.39802301
   0.15768549  0.55866704  0.58495874
   0.28444763  0.69623855  0.77330793
   0.11548374  0.82286003  0.52468321
   0.39300745  0.99980997  0.80059711
   0.46009110  0.91360899  0.62276981
   0.20636434  0.93324445  0.69464275
   0.25662429  0.67286655 -0.03596200
  -0.00629856  0.64059571  0.92349447
   0.60259507  0.07337427  0.11389526
   0.84139557  0.24142399  0.27642871
   0.60799680  0.30698548  0.03034129
   0.91463428  0.46471121  0.33484557
   0.02188996  0.36468060  0.18807540
   0.76755860  0.44478523  0.15260293
   0.77125269  0.18094590  0.45581247
   0.52704596  0.10396701  0.43247881
   0.65843749  0.09913744  0.61263704
   0.82231575  0.19142663  0.79805685
   0.56873333  0.32627285  0.53144161
   0.83854851  0.45073638  0.84084673
   0.95325615  0.42277357  0.64734573
   0.70486660  0.39642112  0.68296512
   0.78694501  0.11292027  0.97661896
   0.53813447  0.09932226  0.93131624
   0.55235685  0.57116729  0.07849298
   0.86149073  0.71884641  0.28416669
   0.61761516  0.82845937  0.03793280
   0.85732538  0.96984172  0.34446700
   0.90068865  0.91145069  0.16450078
   0.65981560  0.88276681  0.22920907
   0.79423916  0.62030558  0.45633925
   0.56464914  0.57687567  0.37339563
   0.59714733  0.59774829  0.56716719
   0.83032974  0.69051191  0.78163168
   0.60451847  0.81128766  0.44744243
   0.89860748  0.94435134  0.84772081
   0.94732115  0.86935375  0.67408913
   0.67721512  0.89205724  0.74603325
   0.74179849  0.64258707  0.96114573
   0.50096461  0.69503451  0.89746835
   0.71369333  0.85958265  0.58294316
   0.55200188  0.82929888  0.37835311
   0.86468737  0.21867905  0.09507163
   0.99106177  0.42842653  0.30555095
   0.31233006  0.14380438  0.64326080
   0.25943473  0.77625049  0.77982111
   0.04069264  1.15488892  0.15030898
   0.22466752  1.05260040  0.02989440
   0.63062287  0.32547789  0.85693071
   0.89347695  0.36426947  0.61320457
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963333    0.348049   -0.030668
    -0.000000    9.886608    0.068143
    -0.000000    0.000000   13.898411
   Si   O    H 
    32    64    10
Direct configuration=   781
   0.17219255  0.16345315 -0.02555732
   0.37737106  0.08381470  0.37230330
   0.14013266  0.40094533  0.10740388
   0.37992910  0.33925820  0.24973269
   0.12467271  0.16323538  0.49402540
   0.41144091  0.13915705  0.85429712
   0.10874071  0.40822162  0.61681783
   0.35049698  0.38863991  0.75296934
   0.10582593  0.67368109  0.00575764
   0.40511318  0.58105686  0.36113955
   0.05791027  0.91503689  0.13745068
   0.32294383  0.82575822  0.24069455
   0.16006028  0.66770855  0.49350463
   0.34970950  0.63893182  0.87377284
   0.07783293  0.91448380  0.61525197
   0.34826873  1.00133542  0.68478977
   0.64150240  0.14694257  1.01654212
   0.86556175  0.13727981  0.36599203
   0.60512558  0.42783256  0.11036435
   0.86533142  0.31488175  0.17308345
   0.62862289  0.17583271  0.50831931
   0.88917020  0.09674466  0.87996325
   0.57272146  0.44496673  0.60838119
   0.74375668  0.34766227  0.78985060
   0.59332440  0.68299785 -0.00246294
   0.90994836  0.62343749  0.37306965
   0.56598446  0.91958723  0.13452716
   0.81631355  0.87182439  0.25480748
   0.63991612  0.65687123  0.46328184
   0.84511171  0.60466503  0.87956612
   0.62211018  0.93765224  0.63642502
   0.83775225  0.85315074  0.75796474
   0.10118912  0.07311732  0.14485972
   0.36418288  0.18652836  0.28116290
   0.10579701  0.30965859  0.01724444
   0.35656782  0.42347908  0.34703511
   0.52549188  0.37254800  0.20428776
   0.28464516  0.36619073  0.16254646
   0.26027151  0.08181934  0.45434230
   0.01947876  0.14495088  0.40865318
   0.04422060  0.07128148  0.57398466
   0.44483101  0.24004522  0.76088860
   0.14607165  0.31442259  0.52618555
   0.37169211  0.47617840  0.85172168
   0.43910895  0.47032801  0.66997740
   0.20232993  0.35339813  0.70808754
   0.29756792  0.22930732 -0.09170550
   0.04416698  0.11578682  0.91306979
   0.10849036  0.56247191  0.09032323
   0.35571421  0.66805136  0.26965282
   0.07884407  0.83174987  0.04295276
   0.39287340  0.91922907  0.32992422
   0.40481224  0.88305880  0.14548981
   0.16268979  0.85240071  0.22537047
   0.31040157  0.64424064  0.44799839
   0.06163419  0.65745697  0.39774908
   0.15912440  0.55903149  0.58376165
   0.28703919  0.69411638  0.77214400
   0.11484661  0.82467640  0.52501221
   0.39259622  0.99898787  0.80076117
   0.45969277  0.91182611  0.62299895
   0.20563590  0.93163713  0.69361305
   0.25803539  0.67286203 -0.03595935
  -0.00829849  0.63885274  0.92278032
   0.60221822  0.07198709  0.11476458
   0.84037014  0.24267670  0.27761293
   0.60845535  0.30824101  0.02967489
   0.91357133  0.46489641  0.33633684
   0.02216732  0.36396916  0.18792700
   0.76699001  0.44433055  0.15312030
   0.77149050  0.18048133  0.45450930
   0.52638608  0.10354904  0.43372528
   0.65868442  0.09630194  0.61360735
   0.82365312  0.18990816  0.79757246
   0.56730122  0.32585777  0.53131292
   0.83871584  0.45017218  0.83937968
   0.95552122  0.42430573  0.64612094
   0.70297207  0.39723990  0.68415991
   0.78769654  0.11114868  0.97724944
   0.53782629  0.10191613  0.93039754
   0.55224775  0.57000508  0.08026807
   0.86263123  0.71928761  0.28400962
   0.61681123  0.82910489  0.03784089
   0.85796913  0.96915938  0.34414794
   0.90074436  0.91170722  0.16456786
   0.65853367  0.88205983  0.22930555
   0.79524912  0.61870192  0.45659400
   0.56577721  0.57666094  0.37402722
   0.59817054  0.59761894  0.56870575
   0.83054324  0.69198842  0.78266439
   0.60460253  0.81242729  0.44696727
   0.89918248  0.94285346  0.84719897
   0.94736938  0.87130498  0.67294657
   0.67819550  0.88942148  0.74704768
   0.74322067  0.64211905  0.96143547
   0.50199131  0.69511014  0.89644187
   0.71449054  0.86160059  0.58468690
   0.55310078  0.82662028  0.38374436
   0.86149219  0.21725659  0.09841593
   0.99069970  0.42235374  0.30326125
   0.30864596  0.13728505  0.64110487
   0.24319247  0.79038426  0.77906988
   0.04280777  1.14938822  0.16075386
   0.22316231  1.05086669  0.03084491
   0.63406492  0.32602132  0.85184802
   0.89811707  0.36247664  0.60973798
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965712    0.350978   -0.029058
    -0.000000    9.888635    0.070654
    -0.000000    0.000000   13.900901
   Si   O    H 
    32    64    10
Direct configuration=   782
   0.17361801  0.16275037 -0.02526667
   0.37890275  0.08496131  0.37247697
   0.14056284  0.40253600  0.10752895
   0.38017255  0.33995146  0.24975722
   0.12605353  0.16335326  0.49350151
   0.41351769  0.14022250  0.85317111
   0.10823229  0.40789015  0.61704550
   0.34880603  0.38766700  0.75284915
   0.10617521  0.67377578  0.00560124
   0.40504212  0.58166851  0.36057541
   0.05727328  0.91448559  0.13648020
   0.32401678  0.82535257  0.24074213
   0.15713535  0.66773932  0.49313954
   0.34949250  0.64037179  0.87354184
   0.07750472  0.91610151  0.61469102
   0.34825026  1.00064587  0.68410426
   0.64158856  0.14859902  1.01602267
   0.86520608  0.13774401  0.36734142
   0.60377366  0.42733792  0.10970618
   0.86617734  0.31435961  0.17261862
   0.62993510  0.17644260  0.50710538
   0.88968755  0.09712479  0.87965208
   0.57302639  0.44476639  0.60804639
   0.74161298  0.34847908  0.79049365
   0.59228402  0.68304826 -0.00258577
   0.90968569  0.62347571  0.37317834
   0.56351265  0.92117645  0.13490280
   0.81721662  0.87300032  0.25422495
   0.64042880  0.65778251  0.46273233
   0.84561605  0.60398349  0.87981406
   0.62226344  0.93946656  0.63651361
   0.83689484  0.85327079  0.75923671
   0.10116268  0.07248790  0.14426667
   0.36354490  0.18658171  0.28034141
   0.10807955  0.30941280  0.01639303
   0.35676535  0.42188064  0.34747683
   0.52577655  0.37313305  0.20244149
   0.28280052  0.36300966  0.16217898
   0.26027102  0.08364553  0.45466087
   0.01911898  0.14357087  0.40900285
   0.04457646  0.06945731  0.57419968
   0.44561585  0.23836979  0.76061746
   0.14726893  0.31317532  0.52623633
   0.37182788  0.47604515  0.84962377
   0.43978334  0.46973368  0.67055119
   0.20272861  0.35389240  0.70971119
   0.29655613  0.22830612 -0.09056067
   0.04218973  0.11558968  0.91196250
   0.10968904  0.56196787  0.09092977
   0.35379476  0.66746593  0.26955071
   0.08109083  0.83184384  0.04219507
   0.39428782  0.91876315  0.32917990
   0.40406212  0.88257623  0.14556051
   0.16428370  0.85398672  0.22523127
   0.30961428  0.64367374  0.44758546
   0.06317856  0.65749442  0.39757259
   0.16055915  0.55988127  0.58353602
   0.28988676  0.69279811  0.77106140
   0.11478632  0.82625869  0.52470088
   0.39165107  0.99825787  0.80065231
   0.45902477  0.90917675  0.62299248
   0.20416423  0.92941539  0.69314006
   0.25930803  0.67296257 -0.03575521
  -0.00894563  0.63745992  0.92251986
   0.60051521  0.07165135  0.11602316
   0.83876517  0.24311827  0.27887132
   0.60859438  0.30987281  0.02913449
   0.91253786  0.46535534  0.33769202
   0.02252255  0.36254098  0.18757635
   0.76650851  0.44387233  0.15380375
   0.77179249  0.18055129  0.45345008
   0.52530269  0.10347066  0.43480628
   0.65893201  0.09446675  0.61454602
   0.82483055  0.18922196  0.79733828
   0.56602468  0.32471325  0.53057432
   0.83922887  0.45020616  0.83823393
   0.95731633  0.42487017  0.64481838
   0.70033743  0.39820497  0.68477278
   0.78874199  0.10924525  0.97779654
   0.53687922  0.10395452  0.92914390
   0.55139131  0.57012571  0.08168652
   0.86320912  0.71848737  0.28415346
   0.61574142  0.83077524  0.03802339
   0.85883634  0.96957269  0.34388690
   0.90087549  0.91149711  0.16398292
   0.65658780  0.88154866  0.22933978
   0.79669392  0.61753612  0.45646789
   0.56729991  0.57736034  0.37465332
   0.59937590  0.59683005  0.56931936
   0.83061138  0.69358354  0.78343405
   0.60459801  0.81375772  0.44631176
   0.89923660  0.94056913  0.84662630
   0.94744352  0.87282311  0.67154073
   0.67911917  0.88699429  0.74758570
   0.74463639  0.64239044  0.96215362
   0.50313027  0.69537263  0.89556738
   0.71908913  0.85605573  0.58089002
   0.55369858  0.82866880  0.39370523
   0.86114669  0.21255023  0.10057644
   0.98854322  0.41808012  0.30270631
   0.30930726  0.12941418  0.64008542
   0.23130384  0.79533667  0.77628308
   0.03739742  1.14739823  0.17268366
   0.22488264  1.05191345  0.03010843
   0.63503070  0.32421075  0.84889426
   0.90621063  0.35910308  0.60807560
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968145    0.354317   -0.027349
    -0.000000    9.890291    0.073527
    -0.000000    0.000000   13.903180
   Si   O    H 
    32    64    10
Direct configuration=   783
   0.17469106  0.16291978 -0.02516503
   0.38095489  0.08587696  0.37290651
   0.14044465  0.40363123  0.10770018
   0.38110969  0.34072556  0.24963289
   0.12713674  0.16233182  0.49320060
   0.41628843  0.14160002  0.85256456
   0.10789116  0.40784810  0.61757639
   0.34759467  0.38650527  0.75274657
   0.10630244  0.67376583  0.00521313
   0.40471289  0.58288469  0.36008081
   0.05760075  0.91336858  0.13559212
   0.32428621  0.82510897  0.24119139
   0.15459195  0.66787723  0.49273929
   0.34977029  0.64192785  0.87315698
   0.07749665  0.91762093  0.61443757
   0.34813936  0.99968153  0.68352786
   0.64158071  0.14935416  1.01525230
   0.86560189  0.13806162  0.36839836
   0.60259842  0.42616679  0.10961184
   0.86673990  0.31410978  0.17245416
   0.63021158  0.17724874  0.50622853
   0.89030814  0.09732793  0.87942474
   0.57329389  0.44492997  0.60809066
   0.74028067  0.34902888  0.79093624
   0.59155277  0.68362839 -0.00271904
   0.90938777  0.62349085  0.37307327
   0.56170068  0.92237412  0.13526051
   0.81801029  0.87378182  0.25389611
   0.63989913  0.65892623  0.46235371
   0.84604294  0.60271036  0.88004282
   0.62299064  0.94103519  0.63671121
   0.83642853  0.85289859  0.76055127
   0.10107334  0.07221556  0.14383306
   0.36287462  0.18601295  0.27953227
   0.10989455  0.30918785  0.01618422
   0.35642056  0.42062195  0.34776063
   0.52617312  0.37320536  0.20077810
   0.28131504  0.36089332  0.16120422
   0.26023302  0.08531752  0.45467597
   0.01860237  0.14282786  0.40885284
   0.04461751  0.06763972  0.57428662
   0.44696435  0.23736646  0.75990018
   0.14731143  0.31176481  0.52605641
   0.37235451  0.47595265  0.84812975
   0.44028130  0.46904456  0.67142661
   0.20254587  0.35467472  0.71126413
   0.29446761  0.22756715 -0.08906071
   0.04059310  0.11483386  0.91104739
   0.11063138  0.56149693  0.09225903
   0.35151001  0.66688029  0.26897858
   0.08369254  0.83177303  0.04135638
   0.39506599  0.91909640  0.32764366
   0.40390046  0.88201110  0.14513666
   0.16589382  0.85623009  0.22505217
   0.30904200  0.64287014  0.44689342
   0.06594787  0.65669159  0.39792611
   0.16169979  0.55985452  0.58310947
   0.29203750  0.69225799  0.77011940
   0.11467701  0.82727325  0.52465086
   0.39020142  0.99690205  0.80026937
   0.45818213  0.90681630  0.62257632
   0.20283535  0.92764712  0.69243312
   0.25975158  0.67298028 -0.03517018
  -0.00838012  0.63565199  0.92244160
   0.59880532  0.07261747  0.11655636
   0.83750867  0.24306999  0.27974787
   0.60791313  0.31143839  0.02843283
   0.91249496  0.46620577  0.33891567
   0.02324344  0.36142315  0.18747105
   0.76558425  0.44273477  0.15402483
   0.77127630  0.18052670  0.45276540
   0.52369010  0.10394642  0.43549447
   0.65877189  0.09383744  0.61566823
   0.82505896  0.18834888  0.79773267
   0.56523165  0.32451395  0.52976014
   0.84000490  0.45124177  0.83688163
   0.95823980  0.42531325  0.64319242
   0.69767109  0.39881929  0.68486063
   0.79020263  0.10642026  0.97826787
   0.53551827  0.10605810  0.92756696
   0.54933660  0.57078665  0.08303191
   0.86380886  0.71790954  0.28423749
   0.61480710  0.83210752  0.03835305
   0.85930317  0.97046980  0.34375354
   0.90076280  0.91123251  0.16332658
   0.65525307  0.88060267  0.23030211
   0.79878111  0.61694157  0.45575860
   0.56868915  0.57804655  0.37535825
   0.60078240  0.59613419  0.56995104
   0.83084411  0.69430335  0.78343423
   0.60528587  0.81560060  0.44630340
   0.89879356  0.93839255  0.84632683
   0.94741055  0.87369555  0.67044915
   0.67919491  0.88604861  0.74782092
   0.74484417  0.64303106  0.96286624
   0.50422357  0.69491030  0.89508209
   0.72356120  0.84997877  0.57583557
   0.54270502  0.83481958  0.39164773
   0.86363023  0.20753993  0.10114289
   0.98555953  0.42046669  0.30451811
   0.30990445  0.12520687  0.63747166
   0.22895932  0.78608371  0.76890586
   0.03971511  1.13902121  0.17969638
   0.22855588  1.04966975  0.03063299
   0.62512772  0.32167820  0.84748334
   0.91303319  0.35516501  0.60649456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.970705    0.357421   -0.025492
    -0.000000    9.891948    0.076104
    -0.000000    0.000000   13.905694
   Si   O    H 
    32    64    10
Direct configuration=   784
   0.17568563  0.16295502 -0.02528646
   0.38216289  0.08616105  0.37345674
   0.14060934  0.40383432  0.10832845
   0.38175495  0.34154812  0.24885675
   0.12845166  0.16074513  0.49327199
   0.41823110  0.14295830  0.85232328
   0.10856918  0.40801751  0.61756400
   0.34693692  0.38517230  0.75287369
   0.10584614  0.67401378  0.00448748
   0.40400408  0.58388427  0.35999301
   0.05795355  0.91247357  0.13490349
   0.32448929  0.82504485  0.24159350
   0.15245619  0.66850921  0.49236050
   0.35003429  0.64285664  0.87243498
   0.07722174  0.91888686  0.61435387
   0.34751456  0.99908202  0.68298139
   0.64112750  0.14984472  1.01439489
   0.86635684  0.13807861  0.36939701
   0.60177051  0.42510851  0.10955876
   0.86651547  0.31429399  0.17258630
   0.63051186  0.17768203  0.50543275
   0.89072800  0.09676120  0.87936761
   0.57376553  0.44522758  0.60805019
   0.73893627  0.34940167  0.79128249
   0.59081516  0.68449153 -0.00332048
   0.90913719  0.62359490  0.37306717
   0.55957285  0.92342242  0.13555306
   0.81888646  0.87405417  0.25358330
   0.63862738  0.65966481  0.46214911
   0.84641166  0.60119605  0.88042754
   0.62361564  0.94210392  0.63693726
   0.83643885  0.85240224  0.76151344
   0.10090264  0.07292300  0.14298856
   0.36169173  0.18477629  0.27877018
   0.11215926  0.30933301  0.01607700
   0.35649461  0.41930148  0.34773193
   0.52577432  0.37314487  0.19962168
   0.27894476  0.36006793  0.15977615
   0.26030387  0.08659923  0.45465757
   0.01808073  0.14267110  0.40874370
   0.04509243  0.06674138  0.57463698
   0.44839897  0.23784240  0.75899624
   0.14740184  0.31112115  0.52608448
   0.37232284  0.47526035  0.84674439
   0.44042051  0.46858755  0.67208206
   0.20240467  0.35521244  0.71203974
   0.29296204  0.22570727 -0.08815472
   0.03954310  0.11454213  0.91086401
   0.11166938  0.56207760  0.09367428
   0.34931346  0.66620824  0.26843845
   0.08636233  0.83003983  0.04040513
   0.39575168  0.91998831  0.32623567
   0.40322417  0.88115308  0.14431619
   0.16674345  0.85716859  0.22470411
   0.30924765  0.64117669  0.44644691
   0.06860200  0.65473529  0.39797682
   0.16240966  0.55949220  0.58246408
   0.29303396  0.69232097  0.76873556
   0.11446247  0.82731720  0.52426314
   0.38901443  0.99688120  0.79996281
   0.45793299  0.90504052  0.62267334
   0.20134055  0.92610084  0.69239931
   0.26014384  0.67214401 -0.03442808
  -0.00726873  0.63430666  0.92318053
   0.59792767  0.07337067  0.11686906
   0.83621372  0.24233501  0.28020864
   0.60752732  0.31269032  0.02748173
   0.91217544  0.46700286  0.33997027
   0.02281660  0.35991019  0.18699542
   0.76396633  0.44180697  0.15400581
   0.77088882  0.18051805  0.45177895
   0.52216459  0.10461582  0.43618018
   0.65858635  0.09313143  0.61662546
   0.82591279  0.18800488  0.79787868
   0.56537237  0.32399604  0.52916804
   0.84025304  0.45295175  0.83588624
   0.95814378  0.42486065  0.64211322
   0.69594447  0.39952331  0.68472371
   0.79206498  0.10367088  0.97887702
   0.53478637  0.10849388  0.92653429
   0.54655463  0.57189384  0.08330460
   0.86303636  0.71807408  0.28402903
   0.61397138  0.83374444  0.03949848
   0.86052612  0.97219588  0.34372216
   0.90122194  0.91140855  0.16193669
   0.65393391  0.87957456  0.23108295
   0.80172277  0.61585489  0.45538530
   0.57052555  0.57894098  0.37607593
   0.60263756  0.59521146  0.57024481
   0.83114169  0.69437745  0.78330185
   0.60520773  0.81786107  0.44697127
   0.89910987  0.93591079  0.84626962
   0.94678588  0.87466256  0.66939366
   0.67845571  0.88593757  0.74748778
   0.74479262  0.64350454  0.96359544
   0.50554858  0.69418740  0.89540613
   0.72501891  0.84568123  0.57258299
   0.53243823  0.84178340  0.39115527
   0.86708276  0.20319468  0.10146009
   0.98280490  0.42757889  0.30712220
   0.31008700  0.12397968  0.63424751
   0.23557522  0.76239472  0.76182461
   0.04173075  1.13042053  0.18311858
   0.23492724  1.04754739  0.03319191
   0.61327847  0.31749422  0.84670352
   0.91685034  0.35256499  0.60643725
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.973525    0.360118   -0.024112
    -0.000000    9.893535    0.078540
    -0.000000    0.000000   13.907879
   Si   O    H 
    32    64    10
Direct configuration=   785
   0.17628872  0.16246763 -0.02513417
   0.38328469  0.08624946  0.37401451
   0.14093141  0.40353721  0.10899636
   0.38282611  0.34231838  0.24786272
   0.12944143  0.15906018  0.49339630
   0.42037303  0.14449445  0.85192964
   0.11025468  0.40785567  0.61737795
   0.34661053  0.38370455  0.75299140
   0.10470134  0.67437507  0.00393488
   0.40277853  0.58450879  0.36010520
   0.05846844  0.91160928  0.13475801
   0.32502957  0.82582033  0.24215737
   0.15087758  0.66917876  0.49238625
   0.35019875  0.64367064  0.87188337
   0.07669638  0.92032305  0.61468694
   0.34640063  0.99842700  0.68282940
   0.64096234  0.15097044  1.01327157
   0.86745649  0.13793348  0.37003024
   0.60151631  0.42438556  0.10941646
   0.86611976  0.31412229  0.17288888
   0.63091788  0.17764879  0.50497318
   0.89165263  0.09562750  0.87921246
   0.57449367  0.44486090  0.60790281
   0.73777939  0.34974462  0.79148875
   0.59056017  0.68540265 -0.00398605
   0.90962830  0.62399925  0.37282608
   0.55820957  0.92284239  0.13586951
   0.81940093  0.87459847  0.25335163
   0.63781713  0.65959963  0.46197600
   0.84652748  0.59941226  0.88047967
   0.62423409  0.94218183  0.63696809
   0.83736389  0.85150450  0.76214030
   0.10025032  0.07364898  0.14229416
   0.36072842  0.18327650  0.27822375
   0.11419876  0.30949920  0.01622406
   0.35613086  0.41903171  0.34752253
   0.52523207  0.37299605  0.19842736
   0.27719300  0.35919230  0.15864636
   0.26092122  0.08760043  0.45420594
   0.01854892  0.14303470  0.40819657
   0.04669532  0.06629407  0.57469280
   0.44983733  0.23920195  0.75839446
   0.14747355  0.31127810  0.52596785
   0.37200223  0.47564747  0.84602770
   0.43991616  0.46854445  0.67231105
   0.20297104  0.35548808  0.71259839
   0.29301697  0.22444687 -0.08745785
   0.03962117  0.11381430  0.91129518
   0.11232281  0.56360824  0.09508167
   0.34722997  0.66577268  0.26746111
   0.08862723  0.82802217  0.03944098
   0.39652858  0.92119833  0.32510906
   0.40351718  0.88015577  0.14330875
   0.16676066  0.85828650  0.22444806
   0.30956957  0.63961679  0.44639314
   0.07041847  0.65431384  0.39716156
   0.16293624  0.56015457  0.58154073
   0.29407518  0.69197536  0.76754062
   0.11403406  0.82694286  0.52367074
   0.38761587  0.99726821  0.79983575
   0.45763854  0.90380297  0.62314805
   0.19906811  0.92523501  0.69257544
   0.26033611  0.67134277 -0.03413011
  -0.00530654  0.63339934  0.92470107
   0.59736629  0.07465984  0.11690294
   0.83517101  0.24222915  0.28016818
   0.60759604  0.31375781  0.02664385
   0.91057371  0.46793861  0.34169374
   0.02210045  0.35920145  0.18601122
   0.76200562  0.44054456  0.15364223
   0.76986715  0.18058250  0.45133363
   0.52100915  0.10490822  0.43635643
   0.65784610  0.09236913  0.61718610
   0.82641185  0.18890073  0.79799731
   0.56469288  0.32426530  0.52860736
   0.84058573  0.45382940  0.83520971
   0.95720749  0.42431671  0.64147384
   0.69369291  0.39996161  0.68432903
   0.79375439  0.10078662  0.97956073
   0.53424047  0.11097285  0.92600832
   0.54396619  0.57458984  0.08339522
   0.86270474  0.71934585  0.28307072
   0.61212121  0.83482740  0.04133417
   0.86115046  0.97371594  0.34364482
   0.90146810  0.91013944  0.16028202
   0.65279727  0.87885925  0.23155383
   0.80393176  0.61468078  0.45551597
   0.57199814  0.57995566  0.37669780
   0.60449085  0.59420249  0.57016445
   0.83218295  0.69368713  0.78339906
   0.60511333  0.82071367  0.44741698
   0.89813862  0.93390022  0.84582573
   0.94539553  0.87519079  0.66900246
   0.67753890  0.88623944  0.74633108
   0.74471591  0.64301073  0.96466175
   0.50586344  0.69374782  0.89594356
   0.71921888  0.84577054  0.57409346
   0.52811893  0.84643833  0.39544528
   0.86922576  0.20239772  0.10422981
   0.98772071  0.42627989  0.30616229
   0.31305722  0.12477202  0.63064145
   0.22979258  0.76029294  0.75386183
   0.04194482  1.12487149  0.18578779
   0.23873387  1.04843627  0.03164718
   0.60900809  0.31709499  0.84460408
   0.91640322  0.35179929  0.60628236
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.976347    0.362874   -0.021926
    -0.000000    9.894802    0.080318
    -0.000000    0.000000   13.909786
   Si   O    H 
    32    64    10
Direct configuration=   786
   0.17685147  0.16224757 -0.02459774
   0.38313521  0.08613594  0.37430682
   0.14120990  0.40346498  0.10971580
   0.38293447  0.34305971  0.24687586
   0.12984454  0.15772109  0.49361648
   0.42194303  0.14603530  0.85197930
   0.11187201  0.40787136  0.61799717
   0.34666258  0.38224994  0.75334902
   0.10377277  0.67388788  0.00334417
   0.40174831  0.58444605  0.36064492
   0.05867305  0.91096243  0.13512964
   0.32595474  0.82676068  0.24222248
   0.15069450  0.66950524  0.49283821
   0.35062047  0.64368728  0.87121739
   0.07551540  0.92098446  0.61539135
   0.34518064  0.99756175  0.68267102
   0.64055749  0.15191358  1.01237558
   0.86870863  0.13754007  0.37028831
   0.60166656  0.42399460  0.10957160
   0.86586312  0.31404973  0.17341822
   0.63044197  0.17774132  0.50477449
   0.89261130  0.09429209  0.87921714
   0.57534318  0.44514468  0.60787467
   0.73673817  0.34972623  0.79161386
   0.58991135  0.68576066 -0.00492531
   0.90976049  0.62447911  0.37244011
   0.55719588  0.92182873  0.13606348
   0.81949246  0.87459154  0.25326082
   0.63724550  0.66004723  0.46179537
   0.84730094  0.59754590  0.88084152
   0.62523054  0.94091447  0.63685234
   0.83895790  0.85040903  0.76223133
   0.09972494  0.07355841  0.14134135
   0.36011181  0.18182474  0.27857733
   0.11632712  0.30922280  0.01703005
   0.35612583  0.41931167  0.34669493
   0.52456553  0.37171848  0.19806567
   0.27575264  0.35833928  0.15727984
   0.26200514  0.08866421  0.45357073
   0.01973646  0.14422803  0.40724620
   0.04743130  0.06712231  0.57374553
   0.45007557  0.24081980  0.75773870
   0.14790489  0.31151245  0.52559451
   0.37144072  0.47634261  0.84616348
   0.43832706  0.46796048  0.67219347
   0.20334347  0.35518285  0.71234199
   0.29339555  0.22274953 -0.08756093
   0.04010955  0.11295967  0.91173926
   0.11300270  0.56497023  0.09623838
   0.34550660  0.66550876  0.26656668
   0.09051985  0.82548468  0.03882778
   0.39732512  0.92221069  0.32451400
   0.40353658  0.87973522  0.14248655
   0.16638368  0.85934899  0.22437966
   0.30907842  0.63800802  0.44595797
   0.07172409  0.65351005  0.39662072
   0.16321934  0.55941626  0.58159732
   0.29561769  0.69135262  0.76707625
   0.11346246  0.82648095  0.52326323
   0.38556091  0.99812267  0.79953998
   0.45869835  0.90258422  0.62368422
   0.19739846  0.92400684  0.69271146
   0.25984292  0.67059579 -0.03362831
  -0.00307962  0.63366331  0.92680284
   0.59691244  0.07664880  0.11643287
   0.83503899  0.24245152  0.28037524
   0.60749255  0.31380238  0.02546232
   0.90960262  0.46892578  0.34365010
   0.02202777  0.35853436  0.18513409
   0.75959681  0.43926207  0.15317232
   0.76814083  0.18088118  0.45162756
   0.52012247  0.10553427  0.43635987
   0.65736254  0.09267348  0.61759250
   0.82688107  0.19041044  0.79859592
   0.56418069  0.32446484  0.52868132
   0.84125573  0.45449839  0.83478054
   0.95589603  0.42359553  0.64097606
   0.69216608  0.39953188  0.68360446
   0.79432442  0.09815299  0.98013267
   0.53343232  0.11309222  0.92565030
   0.54105327  0.57714375  0.08292652
   0.86282107  0.72038082  0.28236344
   0.61000440  0.83507618  0.04281798
   0.86159117  0.97523327  0.34363004
   0.90139870  0.90826756  0.15853723
   0.65188930  0.87772980  0.23162280
   0.80556135  0.61414660  0.45632596
   0.57287179  0.58051072  0.37715797
   0.60640853  0.59407113  0.56958779
   0.83345469  0.69301076  0.78359348
   0.60500810  0.82341280  0.44739093
   0.89677768  0.93287295  0.84574381
   0.94417731  0.87636395  0.66880090
   0.67642299  0.88758379  0.74494312
   0.74519035  0.64267688  0.96551436
   0.50553267  0.69271663  0.89700510
   0.70753284  0.84678948  0.57735265
   0.53161260  0.85124803  0.40384442
   0.87515388  0.20414951  0.10547352
   0.98638619  0.42642296  0.30530049
   0.31323018  0.12544024  0.62911548
   0.22254235  0.76808798  0.74720438
   0.03920476  1.12358814  0.18892708
   0.24124599  1.04904845  0.02885301
   0.60717690  0.32127894  0.84238763
   0.91278691  0.35213941  0.60505638
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979175    0.365616   -0.020069
    -0.000000    9.895784    0.082523
    -0.000000    0.000000   13.911632
   Si   O    H 
    32    64    10
Direct configuration=   787
   0.17712881  0.16216102 -0.02391907
   0.38287212  0.08549373  0.37419400
   0.14080214  0.40365489  0.10985345
   0.38305132  0.34351870  0.24612873
   0.12952909  0.15622430  0.49399912
   0.42290674  0.14698243  0.85228574
   0.11392290  0.40833465  0.61866477
   0.34712361  0.38094256  0.75386671
   0.10335927  0.67328280  0.00257752
   0.40084456  0.58468262  0.36144504
   0.05893689  0.91009015  0.13568598
   0.32688976  0.82812376  0.24189787
   0.15046891  0.66952603  0.49374080
   0.35161899  0.64367011  0.87055444
   0.07377642  0.92131958  0.61614801
   0.34410051  0.99681833  0.68259199
   0.63967437  0.15266121  1.01088961
   0.86989190  0.13730398  0.37049870
   0.60205300  0.42381781  0.10982486
   0.86557088  0.31356271  0.17348542
   0.62923625  0.17803458  0.50477213
   0.89318722  0.09321348  0.88000304
   0.57618426  0.44529861  0.60820284
   0.73593816  0.34957305  0.79191969
   0.58896886  0.68532361 -0.00563350
   0.91044877  0.62431491  0.37218905
   0.55685923  0.92062520  0.13618686
   0.81854796  0.87406614  0.25386016
   0.63745728  0.66077695  0.46210368
   0.84805520  0.59653571  0.88116857
   0.62584835  0.93934736  0.63692204
   0.83983254  0.84995494  0.76179050
   0.09890659  0.07339320  0.14040216
   0.36031476  0.18117869  0.27936732
   0.11849140  0.30923843  0.01793853
   0.35614870  0.41997666  0.34646744
   0.52345311  0.37063054  0.19727602
   0.27569196  0.35762498  0.15635885
   0.26358797  0.08923121  0.45237366
   0.02168686  0.14570351  0.40631854
   0.04791457  0.06852998  0.57272126
   0.44996895  0.24201189  0.75707323
   0.14848520  0.31065751  0.52535197
   0.37034466  0.47724537  0.84663860
   0.43660951  0.46731816  0.67160140
   0.20243625  0.35483133  0.71165905
   0.29452084  0.22151117 -0.08784261
   0.04166634  0.11231702  0.91268605
   0.11308291  0.56641880  0.09746293
   0.34480421  0.66566626  0.26557746
   0.09169504  0.82400702  0.03876477
   0.39790289  0.92317872  0.32454067
   0.40283461  0.87982969  0.14198873
   0.16614636  0.86036323  0.22369206
   0.30883979  0.63668163  0.44625923
   0.07221812  0.65261620  0.39584618
   0.16349310  0.55884960  0.58156957
   0.29668086  0.69147822  0.76656076
   0.11309328  0.82547893  0.52356107
   0.38252945  0.99905872  0.79978766
   0.46007714  0.90200443  0.62447128
   0.19667114  0.92301831  0.69298273
   0.25896538  0.66936576 -0.03270008
  -0.00140328  0.63404224  0.92837906
   0.59664402  0.07905742  0.11570096
   0.83433451  0.24259503  0.28068556
   0.60753081  0.31349947  0.02521741
   0.90939656  0.46908950  0.34513098
   0.02128620  0.35776430  0.18436297
   0.75703664  0.43738522  0.15225140
   0.76551624  0.18081779  0.45192964
   0.51966329  0.10577751  0.43651936
   0.65726315  0.09377503  0.61694207
   0.82610383  0.19296445  0.79927066
   0.56393861  0.32549970  0.52912196
   0.84235185  0.45462740  0.83456278
   0.95531139  0.42254913  0.64081300
   0.69083737  0.39899659  0.68310737
   0.79442404  0.09584442  0.98056768
   0.53391738  0.11483106  0.92624091
   0.53791003  0.57903665  0.08165575
   0.86317894  0.72145317  0.28185702
   0.60783596  0.83473373  0.04379324
   0.86159367  0.97729337  0.34341822
   0.90096598  0.90644425  0.15695229
   0.65096340  0.87699004  0.23107972
   0.80606114  0.61448245  0.45716765
   0.57356036  0.58061559  0.37712775
   0.60815208  0.59433351  0.56866806
   0.83440860  0.69161654  0.78424895
   0.60524554  0.82570766  0.44758177
   0.89482447  0.93233172  0.84600268
   0.94281889  0.87780364  0.66920002
   0.67541331  0.88948043  0.74351952
   0.74558298  0.64197813  0.96667025
   0.50536124  0.69190612  0.89842034
   0.69847799  0.84708268  0.58134923
   0.53539868  0.85648240  0.40927314
   0.87618836  0.20354290  0.10557369
   0.98178475  0.42917314  0.30823839
   0.31528708  0.12739972  0.62790088
   0.22534612  0.76660535  0.74453173
   0.03806803  1.12141564  0.18777106
   0.24440988  1.05196916  0.02569848
   0.61076898  0.32800941  0.84088329
   0.90936700  0.35024946  0.60531968
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981945    0.368921   -0.018371
    -0.000000    9.896308    0.084373
    -0.000000    0.000000   13.913441
   Si   O    H 
    32    64    10
Direct configuration=   788
   0.17696917  0.16266433 -0.02344479
   0.38294013  0.08446753  0.37388620
   0.13957210  0.40401580  0.10985873
   0.38316255  0.34270186  0.24518358
   0.12882040  0.15562563  0.49449516
   0.42363605  0.14799400  0.85186485
   0.11573170  0.40861890  0.61921179
   0.34791238  0.37972804  0.75430020
   0.10368069  0.67188193  0.00213486
   0.39929119  0.58493120  0.36223382
   0.05946401  0.90893618  0.13668847
   0.32810198  0.82918304  0.24153559
   0.15121044  0.66937177  0.49465541
   0.35289565  0.64317056  0.87045787
   0.07248202  0.92162041  0.61642873
   0.34356213  0.99536783  0.68195170
   0.63891963  0.15304953  1.00997280
   0.87144916  0.13724924  0.37061007
   0.60272484  0.42412384  0.11028154
   0.86521096  0.31313933  0.17405379
   0.62751013  0.17863322  0.50494108
   0.89376355  0.09217188  0.88081271
   0.57630656  0.44593372  0.60872531
   0.73532659  0.34949665  0.79221891
   0.58803512  0.68530065 -0.00620336
   0.91121647  0.62384378  0.37225036
   0.55675447  0.91922843  0.13641568
   0.81773367  0.87353646  0.25465999
   0.63834678  0.66179159  0.46221435
   0.84841424  0.59640814  0.88159703
   0.62647332  0.93809669  0.63693507
   0.84044831  0.84929939  0.76089573
   0.09717153  0.07401040  0.13944503
   0.36057060  0.18096061  0.27946234
   0.11967017  0.30854581  0.01909182
   0.35636579  0.42076280  0.34581899
   0.52271612  0.36935011  0.19719501
   0.27683711  0.35605582  0.15612858
   0.26543325  0.09041880  0.45095306
   0.02307262  0.14733990  0.40567674
   0.04842706  0.07027128  0.57166647
   0.45030516  0.24341363  0.75651620
   0.14955365  0.30986117  0.52533211
   0.36933947  0.47817306  0.84670228
   0.43477578  0.46684807  0.67117581
   0.20203302  0.35465383  0.71169506
   0.29660129  0.22086031 -0.08769446
   0.04412661  0.11179993  0.91395968
   0.11293097  0.56764373  0.09882951
   0.34431049  0.66655585  0.26435138
   0.09147408  0.82233986  0.03921979
   0.39797851  0.92409523  0.32481166
   0.40136425  0.88039908  0.14151061
   0.16673495  0.86114269  0.22280319
   0.30852600  0.63587035  0.44607531
   0.07277845  0.65219441  0.39478753
   0.16356219  0.55728704  0.58172506
   0.29680172  0.69222877  0.76584219
   0.11280140  0.82395676  0.52403201
   0.38007224  0.99942443  0.79994132
   0.46153249  0.90195518  0.62548099
   0.19539874  0.92212647  0.69247288
   0.25871954  0.66739360 -0.03202736
  -0.00025461  0.63409736  0.92910443
   0.59584058  0.08166988  0.11520414
   0.83379608  0.24277721  0.28036909
   0.60764860  0.31395784  0.02468250
   0.90986870  0.46914729  0.34617533
   0.02114539  0.35743566  0.18398185
   0.75506444  0.43554091  0.15124053
   0.76382345  0.18102378  0.45250658
   0.51976058  0.10568929  0.43699038
   0.65758154  0.09611739  0.61632525
   0.82441439  0.19552576  0.79887206
   0.56344905  0.32643766  0.52991411
   0.84282749  0.45468906  0.83467764
   0.95466401  0.42128097  0.64056129
   0.68990754  0.39886164  0.68285805
   0.79404400  0.09479973  0.98052243
   0.53450315  0.11701956  0.92701045
   0.53550763  0.57951869  0.07992591
   0.86383815  0.72310238  0.28088138
   0.60554672  0.83424631  0.04459203
   0.86143720  0.97909184  0.34249643
   0.90001498  0.90569258  0.15499341
   0.65043917  0.87569146  0.23019083
   0.80564076  0.61537455  0.45806205
   0.57304014  0.58029728  0.37679937
   0.60936316  0.59469157  0.56780049
   0.83591762  0.69025266  0.78485407
   0.60548521  0.82806120  0.44827860
   0.89310776  0.93187588  0.84684533
   0.94155112  0.87919636  0.67009569
   0.67420005  0.89160863  0.74246221
   0.74578470  0.64193335  0.96790824
   0.50445548  0.69142684  0.89959901
   0.69529322  0.84589059  0.58352533
   0.53186322  0.86542156  0.40671344
   0.87673113  0.20209207  0.10606247
   0.97686429  0.43005377  0.30682943
   0.32076198  0.12682957  0.62960990
   0.23804793  0.76149840  0.74432911
   0.04265204  1.11913547  0.18535225
   0.24904594  1.05173062  0.02114951
   0.61975153  0.33606746  0.84046595
   0.90560041  0.35344485  0.60760672
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984282    0.371579   -0.016100
    -0.000000    9.896818    0.086027
    -0.000000    0.000000   13.915139
   Si   O    H 
    32    64    10
Direct configuration=   789
   0.17705279  0.16360054 -0.02304572
   0.38379114  0.08266356  0.37363784
   0.13878308  0.40457538  0.11004288
   0.38367877  0.34174194  0.24455605
   0.12757296  0.15526187  0.49472057
   0.42396070  0.14876436  0.85123977
   0.11700668  0.40884389  0.61925876
   0.34901603  0.37916085  0.75472695
   0.10486610  0.67027507  0.00221576
   0.39790505  0.58417990  0.36249290
   0.06040693  0.90810033  0.13755708
   0.32871638  0.83102915  0.24164671
   0.15162162  0.66844707  0.49525988
   0.35360915  0.64302441  0.87082935
   0.07132027  0.92185487  0.61672216
   0.34315668  0.99376165  0.68134047
   0.63881474  0.15275408  1.00935685
   0.87299699  0.13737323  0.37071160
   0.60336179  0.42466534  0.11049637
   0.86442087  0.31188920  0.17475926
   0.62518793  0.17918843  0.50531923
   0.89365259  0.09106502  0.88178359
   0.57588157  0.44701175  0.60959178
   0.73503867  0.34937064  0.79211826
   0.58804733  0.68505337 -0.00650236
   0.91167495  0.62331146  0.37229293
   0.55671316  0.91784108  0.13635502
   0.81689615  0.87270493  0.25540069
   0.63997498  0.66287996  0.46231068
   0.84850816  0.59646354  0.88217596
   0.62691070  0.93685705  0.63701901
   0.84034260  0.84840784  0.75993333
   0.09567468  0.07338910  0.13756402
   0.36085721  0.18063130  0.27960570
   0.12076005  0.30775862  0.02087597
   0.35694965  0.42260751  0.34562628
   0.52296929  0.36714055  0.19703803
   0.27841085  0.35470447  0.15630383
   0.26761879  0.09172724  0.44972855
   0.02436000  0.14829378  0.40488577
   0.04932917  0.07131082  0.57136439
   0.45069627  0.24485766  0.75648559
   0.15045937  0.30979959  0.52532284
   0.36840941  0.47840582  0.84735428
   0.43315517  0.46731388  0.67072847
   0.20106940  0.35459644  0.71170110
   0.29893702  0.21955438 -0.08798472
   0.04611205  0.11159800  0.91510257
   0.11266122  0.56941155  0.10011852
   0.34401313  0.66838886  0.26359380
   0.09111098  0.82097930  0.03940411
   0.39795250  0.92524395  0.32579041
   0.39990952  0.88136293  0.14129786
   0.16708257  0.86122747  0.22209175
   0.30792469  0.63538801  0.44635768
   0.07247783  0.65241170  0.39358293
   0.16337901  0.55581172  0.58239113
   0.29711972  0.69299565  0.76540729
   0.11251572  0.82309909  0.52481825
   0.37751490  1.00042721  0.79981209
   0.46312856  0.90242439  0.62718416
   0.19519510  0.92112966  0.69224809
   0.25888809  0.66514670 -0.03205148
  -0.00048947  0.63370634  0.92851829
   0.59517575  0.08362365  0.11456683
   0.83317633  0.24232098  0.28020527
   0.60806097  0.31535619  0.02444554
   0.90945193  0.46873217  0.34724997
   0.02049348  0.35745842  0.18385811
   0.75350450  0.43437864  0.15007564
   0.76218948  0.18019767  0.45263240
   0.51970143  0.10610323  0.43761240
   0.65776111  0.09857730  0.61519205
   0.82338232  0.19742436  0.79886119
   0.56244124  0.32801291  0.53035660
   0.84293487  0.45381581  0.83535150
   0.95388857  0.41988092  0.64021027
   0.68938673  0.39917138  0.68278540
   0.79289045  0.09392713  0.98074529
   0.53566478  0.11820872  0.92756300
   0.53343028  0.57991052  0.07814689
   0.86373698  0.72512827  0.28070035
   0.60275835  0.83370160  0.04526630
   0.86122521  0.98103234  0.34143839
   0.89935872  0.90571752  0.15317072
   0.65013442  0.87407407  0.22935223
   0.80421250  0.61627681  0.45921016
   0.57168940  0.57963487  0.37615774
   0.61073588  0.59474611  0.56688286
   0.83650216  0.68945744  0.78553449
   0.60655864  0.82945293  0.44881853
   0.89088359  0.93166190  0.84776807
   0.93990904  0.88017005  0.67123476
   0.67381508  0.89334352  0.74158164
   0.74598082  0.64165170  0.96862254
   0.50294376  0.69051448  0.90028106
   0.69728102  0.83573647  0.58428908
   0.53098904  0.86940798  0.40089305
   0.87683781  0.19912581  0.10637069
   0.97990461  0.42823194  0.30243843
   0.32542403  0.12606402  0.63158158
   0.24392884  0.76299271  0.74459573
   0.04112833  1.12621756  0.18741651
   0.25498620  1.04764915  0.02099859
   0.61905597  0.33997874  0.84571270
   0.89686052  0.35267376  0.60921534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986280    0.373914   -0.014222
    -0.000000    9.897546    0.087302
    -0.000000    0.000000   13.917120
   Si   O    H 
    32    64    10
Direct configuration=   790
   0.17766758  0.16488566 -0.02226805
   0.38502457  0.08058683  0.37388317
   0.13744616  0.40592934  0.11022458
   0.38423385  0.34029051  0.24411036
   0.12644482  0.15536177  0.49490412
   0.42394877  0.14870883  0.85046951
   0.11835723  0.40894371  0.61872838
   0.35003474  0.37912842  0.75536161
   0.10600182  0.66814240  0.00274513
   0.39616947  0.58363266  0.36249295
   0.06145388  0.90784037  0.13849553
   0.32951792  0.83324064  0.24207972
   0.15295071  0.66781249  0.49590628
   0.35409544  0.64305720  0.87106547
   0.06981577  0.92240238  0.61645851
   0.34325448  0.99219014  0.68060690
   0.63830096  0.15203848  1.00894582
   0.87369836  0.13816389  0.37069362
   0.60427687  0.42530543  0.11050512
   0.86306702  0.31024117  0.17542908
   0.62344530  0.17882788  0.50595129
   0.89280090  0.09032734  0.88262773
   0.57526583  0.44760370  0.61005113
   0.73526933  0.34873535  0.79178368
   0.58903235  0.68476901 -0.00681869
   0.91203688  0.62281989  0.37204915
   0.55749000  0.91689603  0.13643729
   0.81569696  0.87196350  0.25616150
   0.64152904  0.66387975  0.46281251
   0.84959350  0.59709946  0.88287629
   0.62722890  0.93588580  0.63727648
   0.84010366  0.84753474  0.75906906
   0.09448202  0.07360577  0.13654719
   0.36118203  0.18106367  0.28009673
   0.12211204  0.30698306  0.02261537
   0.35775305  0.42465219  0.34491414
   0.52234493  0.36463592  0.19713602
   0.28040129  0.35394475  0.15608053
   0.26915448  0.09281673  0.44911124
   0.02501154  0.14924266  0.40368212
   0.04933873  0.07116702  0.57125231
   0.45081260  0.24655036  0.75693062
   0.15124884  0.31028358  0.52534975
   0.36738009  0.47856428  0.84816349
   0.43239442  0.46692377  0.67047289
   0.20066743  0.35431051  0.71165574
   0.30082118  0.21809603 -0.08819738
   0.04737194  0.11121025  0.91645049
   0.11257831  0.57003455  0.10124350
   0.34359041  0.67059893  0.26306814
   0.09132821  0.82066796  0.03939372
   0.39751817  0.92632382  0.32755660
   0.39895410  0.88267393  0.14127851
   0.16667867  0.86154252  0.22117801
   0.30727364  0.63509280  0.44679694
   0.07197945  0.65315411  0.39298154
   0.16313229  0.55477459  0.58270819
   0.29730861  0.69315430  0.76597882
   0.11300938  0.82230490  0.52583296
   0.37461355  1.00120102  0.79961593
   0.46478609  0.90255499  0.62898950
   0.19533484  0.92025315  0.69228180
   0.26013597  0.66219266 -0.03185912
  -0.00199952  0.63250054  0.92727219
   0.59412129  0.08482985  0.11428954
   0.83236902  0.24080859  0.28079540
   0.60764524  0.31682754  0.02428464
   0.90962957  0.46728481  0.34800224
   0.01996861  0.35668004  0.18417166
   0.75279143  0.43355170  0.14906729
   0.76042906  0.17992895  0.45235140
   0.51912466  0.10565312  0.43768937
   0.65765079  0.10063913  0.61404695
   0.82350059  0.19927042  0.79877475
   0.56162973  0.32901141  0.53086324
   0.84283334  0.45223972  0.83609111
   0.95330906  0.41803573  0.63981275
   0.68927973  0.39854123  0.68297123
   0.79179614  0.09360642  0.98073601
   0.53677601  0.11956476  0.92808762
   0.53161010  0.57990375  0.07658385
   0.86324978  0.72629124  0.28052641
   0.60051574  0.83237896  0.04543754
   0.86073294  0.98248047  0.34076388
   0.89771890  0.90522279  0.15228887
   0.64991551  0.87310418  0.22873647
   0.80245475  0.61820797  0.46024180
   0.57020206  0.57906270  0.37503359
   0.61204194  0.59483447  0.56635096
   0.83697379  0.68838779  0.78611424
   0.60701399  0.83098566  0.44904607
   0.88895192  0.93184173  0.84902097
   0.93797496  0.88121931  0.67213668
   0.67403152  0.89529410  0.74124182
   0.74584886  0.64083493  0.96901622
   0.50099791  0.68973702  0.90010120
   0.70451352  0.82256824  0.58364125
   0.53578975  0.86755325  0.39684261
   0.87938027  0.19600537  0.10677094
   0.97585950  0.43019363  0.30203189
   0.32810393  0.12462908  0.63439319
   0.24404041  0.77664640  0.74320291
   0.04463159  1.13104708  0.18529496
   0.26032167  1.04627598  0.01976020
   0.61251430  0.34339143  0.85533063
   0.89236020  0.35577257  0.61196650
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987892    0.376266   -0.012579
    -0.000000    9.898660    0.088921
    -0.000000    0.000000   13.919039
   Si   O    H 
    32    64    10
Direct configuration=   791
   0.17784047  0.16661049 -0.02171182
   0.38623521  0.08009044  0.37404888
   0.13551081  0.40735608  0.11034425
   0.38413757  0.33809579  0.24374155
   0.12546330  0.15523324  0.49473743
   0.42319140  0.14815329  0.84917081
   0.11873055  0.40899222  0.61822053
   0.35091534  0.37955492  0.75530435
   0.10719412  0.66559379  0.00383559
   0.39464080  0.58314224  0.36245238
   0.06309652  0.90745751  0.13928872
   0.33051562  0.83530311  0.24221489
   0.15453545  0.66711115  0.49682308
   0.35467568  0.64352859  0.87132025
   0.06834197  0.92297342  0.61611769
   0.34316736  0.99054012  0.68014787
   0.63864739  0.15143749  1.00920690
   0.87418553  0.13957974  0.37075083
   0.60496027  0.42608643  0.11059123
   0.86264688  0.30821268  0.17580408
   0.62152324  0.17870769  0.50699877
   0.89150507  0.08964149  0.88324368
   0.57443087  0.44792850  0.61063421
   0.73603425  0.34790278  0.79133386
   0.59030055  0.68520770 -0.00676139
   0.91192836  0.62205187  0.37186523
   0.55767588  0.91548933  0.13607833
   0.81410402  0.87238588  0.25651741
   0.64288299  0.66524268  0.46328696
   0.85057845  0.59704787  0.88368007
   0.62761494  0.93508314  0.63716889
   0.83972212  0.84686556  0.75817268
   0.09306295  0.07463349  0.13589912
   0.36184119  0.18179351  0.28038490
   0.12341097  0.30627255  0.02324783
   0.35841433  0.42720417  0.34419738
   0.52231093  0.36221319  0.19738501
   0.28216566  0.35438120  0.15544991
   0.26986515  0.09349661  0.44880612
   0.02600684  0.14987293  0.40236092
   0.04957641  0.07095309  0.57190707
   0.45045177  0.24843727  0.75793849
   0.15160560  0.31039942  0.52531615
   0.36674519  0.47857047  0.84925058
   0.43138706  0.46625327  0.67034807
   0.20107259  0.35399187  0.71176841
   0.30283261  0.21643572 -0.08856992
   0.04840281  0.11114881  0.91751276
   0.11243414  0.56969453  0.10215890
   0.34366772  0.67202767  0.26356565
   0.09147405  0.82093141  0.03912283
   0.39688165  0.92813233  0.32915979
   0.39830979  0.88384521  0.14188069
   0.16717083  0.86092402  0.22078464
   0.30575717  0.63519837  0.44779114
   0.07114976  0.65478656  0.39269379
   0.16219216  0.55371778  0.58292128
   0.29696944  0.69329960  0.76680503
   0.11400301  0.82154831  0.52740494
   0.37245282  1.00216151  0.79921486
   0.46779415  0.90265979  0.63086772
   0.19517377  0.91953116  0.69179896
   0.26090529  0.65969569 -0.03212996
  -0.00349174  0.63203483  0.92660365
   0.59271664  0.08619555  0.11432343
   0.83186383  0.23984166  0.28085474
   0.60679953  0.31827087  0.02484764
   0.91046030  0.46601320  0.34829972
   0.01944332  0.35640507  0.18453983
   0.75257098  0.43250613  0.14803074
   0.75927103  0.17963951  0.45151642
   0.51845023  0.10555663  0.43738454
   0.65682157  0.10274340  0.61297807
   0.82312188  0.20038255  0.79916590
   0.56026827  0.32940068  0.53122192
   0.84287593  0.45053701  0.83659064
   0.95368150  0.41666903  0.63938345
   0.68946064  0.39770173  0.68291734
   0.79094333  0.09362050  0.98066312
   0.53711589  0.12076383  0.92789003
   0.53068672  0.57989567  0.07486999
   0.86271183  0.72700858  0.28053499
   0.59841648  0.83082294  0.04489506
   0.86000379  0.98312352  0.34061596
   0.89562958  0.90489201  0.15196472
   0.65014929  0.87199581  0.22850144
   0.80158783  0.61961364  0.46105155
   0.56795774  0.57860626  0.37368260
   0.61271061  0.59512411  0.56590429
   0.83745443  0.68815278  0.78596373
   0.60738350  0.83227276  0.44838795
   0.88693001  0.93186281  0.85050114
   0.93572935  0.88190343  0.67295394
   0.67549698  0.89686705  0.74155858
   0.74603391  0.64076602  0.96933186
   0.49936624  0.68887146  0.89988617
   0.71323648  0.81468599  0.58350773
   0.54902443  0.85957080  0.39831147
   0.88190618  0.19462620  0.10979145
   0.97093533  0.43380849  0.30181234
   0.33173702  0.12295179  0.63664369
   0.24735425  0.78635679  0.74366404
   0.04864152  1.13547310  0.17919186
   0.26359744  1.04630189  0.01852307
   0.61072935  0.34688861  0.86244971
   0.88352018  0.35417305  0.61555892
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989603    0.378846   -0.011164
    -0.000000    9.899882    0.090556
    -0.000000    0.000000   13.920989
   Si   O    H 
    32    64    10
Direct configuration=   792
   0.17773458  0.16763797 -0.02127485
   0.38780810  0.08011005  0.37368272
   0.13373013  0.40799632  0.11043868
   0.38446960  0.33605117  0.24357956
   0.12528240  0.15514429  0.49458286
   0.42228562  0.14731771  0.84761273
   0.11891719  0.40864168  0.61774949
   0.35109629  0.38100105  0.75539782
   0.10832203  0.66347036  0.00512631
   0.39372777  0.58268073  0.36161720
   0.06426009  0.90728119  0.13970960
   0.33022146  0.83713605  0.24255439
   0.15655236  0.66638001  0.49734848
   0.35467879  0.64379831  0.87175390
   0.06674463  0.92286453  0.61580046
   0.34241458  0.98905096  0.67975247
   0.63890888  0.15139746  1.00978131
   0.87426017  0.14091468  0.37111546
   0.60482069  0.42705549  0.11047867
   0.86275105  0.30575651  0.17631221
   0.62016111  0.17873331  0.50810824
   0.89058414  0.08907765  0.88383957
   0.57357374  0.44831207  0.61108248
   0.73666047  0.34680454  0.79081967
   0.59152668  0.68571491 -0.00624502
   0.91143447  0.62155426  0.37121717
   0.55792490  0.91463297  0.13556420
   0.81294767  0.87284836  0.25670941
   0.64402589  0.66667414  0.46343967
   0.85121046  0.59679882  0.88435178
   0.62785569  0.93454971  0.63632617
   0.83960565  0.84527683  0.75789095
   0.09105212  0.07561309  0.13504575
   0.36292001  0.18284601  0.28024209
   0.12405538  0.30554696  0.02416882
   0.35907531  0.42898985  0.34332223
   0.52327129  0.35979187  0.19778532
   0.28270805  0.35531071  0.15469110
   0.26925707  0.09348026  0.44859443
   0.02758030  0.15157224  0.40160038
   0.05083064  0.07033498  0.57336356
   0.45048017  0.25022212  0.75869191
   0.15203355  0.31046352  0.52597954
   0.36666093  0.47842424  0.84968784
   0.43062733  0.46575582  0.66965825
   0.20153231  0.35386862  0.71211934
   0.30366407  0.21466587 -0.08898011
   0.04856291  0.11161998  0.91841405
   0.11165993  0.56985646  0.10315221
   0.34492529  0.67347740  0.26409405
   0.09162685  0.82158379  0.03910710
   0.39635826  0.92942838  0.33073429
   0.39776762  0.88544562  0.14252824
   0.16737225  0.86037621  0.22063216
   0.30469512  0.63564883  0.44862178
   0.06963151  0.65596750  0.39241409
   0.16055703  0.55307645  0.58296103
   0.29710616  0.69448814  0.76774158
   0.11484791  0.82150420  0.52918772
   0.37052581  1.00349191  0.79848750
   0.47031349  0.90275407  0.63229630
   0.19491842  0.91906892  0.69133898
   0.26143937  0.65699376 -0.03257470
  -0.00536444  0.63180202  0.92590115
   0.59296062  0.08662196  0.11432375
   0.83187386  0.23846359  0.28058276
   0.60580832  0.31959809  0.02453628
   0.91117016  0.46521878  0.34875154
   0.01921212  0.35603042  0.18543226
   0.75284359  0.43122681  0.14725633
   0.75743908  0.17959399  0.45080470
   0.51806496  0.10528594  0.43732909
   0.65604459  0.10462338  0.61207765
   0.82324130  0.20207558  0.80011599
   0.55953966  0.33034027  0.53155687
   0.84279043  0.44871248  0.83731035
   0.95405797  0.41521436  0.63919626
   0.68990946  0.39698404  0.68329400
   0.79080410  0.09387569  0.98064852
   0.53649877  0.12223397  0.92728051
   0.53085452  0.57934157  0.07288308
   0.86246256  0.72686849  0.28133468
   0.59754537  0.82967209  0.04461431
   0.85873081  0.98344803  0.33995128
   0.89347822  0.90437129  0.15232678
   0.65041956  0.87126832  0.22850823
   0.80103936  0.62162715  0.46151965
   0.56601763  0.57913230  0.37253341
   0.61248406  0.59496717  0.56512725
   0.83738909  0.68859104  0.78616492
   0.60778309  0.83287077  0.44763317
   0.88536515  0.93249492  0.85226882
   0.93446159  0.88275257  0.67308309
   0.67768326  0.89947200  0.74165974
   0.74621066  0.64057168  0.96919578
   0.49790620  0.68799864  0.89909213
   0.71754160  0.81731943  0.58380960
   0.55696688  0.85477703  0.39242303
   0.88196564  0.19727340  0.11130282
   0.97644132  0.43412784  0.29729557
   0.33254338  0.12275816  0.63731481
   0.25348888  0.78726622  0.74702504
   0.04951238  1.14267158  0.17568529
   0.26103148  1.04982734  0.01627437
   0.61779719  0.34855978  0.86732287
   0.88060899  0.35628398  0.61973935
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990809    0.381465   -0.009774
    -0.000000    9.900581    0.092062
    -0.000000    0.000000   13.922780
   Si   O    H 
    32    64    10
Direct configuration=   793
   0.17827844  0.16804652 -0.02099105
   0.38941952  0.08002368  0.37344176
   0.13222754  0.40858257  0.11101668
   0.38443047  0.33408931  0.24351940
   0.12547300  0.15503863  0.49416082
   0.42165531  0.14679345  0.84637208
   0.11834670  0.40871936  0.61729122
   0.35127558  0.38285285  0.75533352
   0.10994622  0.66179553  0.00637966
   0.39288772  0.58283610  0.36063955
   0.06457233  0.90684265  0.14010763
   0.32946085  0.83860081  0.24320569
   0.15881610  0.66553290  0.49751675
   0.35410769  0.64316455  0.87183008
   0.06495196  0.92190002  0.61561255
   0.34157832  0.98783567  0.67930224
   0.63953631  0.15167097  1.01057335
   0.87344658  0.14206355  0.37127735
   0.60416112  0.42792956  0.10983977
   0.86263080  0.30294444  0.17673420
   0.61871333  0.17879764  0.50879360
   0.88982770  0.08829615  0.88409841
   0.57240399  0.44834070  0.61140977
   0.73724001  0.34555251  0.79055566
   0.59255450  0.68602197 -0.00586089
   0.91140585  0.62150233  0.37047849
   0.55798919  0.91487451  0.13483419
   0.81211853  0.87322341  0.25676028
   0.64504299  0.66753205  0.46329915
   0.85186347  0.59654348  0.88502142
   0.62857242  0.93393985  0.63552144
   0.83895860  0.84398752  0.75807358
   0.08969939  0.07617405  0.13364677
   0.36345448  0.18305757  0.28054272
   0.12416272  0.30519661  0.02531658
   0.35890442  0.43052748  0.34284081
   0.52431937  0.35739914  0.19789801
   0.28391743  0.35591647  0.15404533
   0.26778112  0.09373249  0.44893536
   0.02925047  0.15359552  0.40103905
   0.05177944  0.07048433  0.57449936
   0.44957926  0.25180370  0.75970687
   0.15250455  0.30984364  0.52669145
   0.36617919  0.47858212  0.84953567
   0.43047628  0.46547935  0.66872251
   0.20187163  0.35398735  0.71277779
   0.30365967  0.21369888 -0.08946686
   0.04857516  0.11205537  0.91899497
   0.11078109  0.57076708  0.10337109
   0.34607076  0.67398068  0.26459634
   0.09094710  0.82142106  0.03962248
   0.39629614  0.93024392  0.33246407
   0.39726270  0.88781803  0.14368759
   0.16785302  0.85909839  0.22103034
   0.30427020  0.63544868  0.44929303
   0.06912064  0.65671497  0.39273787
   0.15945340  0.55306230  0.58299951
   0.29638840  0.69671844  0.76819734
   0.11508560  0.82096361  0.53081484
   0.36883646  1.00589791  0.79776722
   0.47176771  0.90376660  0.63342743
   0.19408817  0.91840423  0.69087286
   0.26190140  0.65432328 -0.03309833
  -0.00703051  0.63215075  0.92544181
   0.59218153  0.08702027  0.11366532
   0.83187373  0.23766363  0.27994453
   0.60468918  0.32105111  0.02381665
   0.91280476  0.46372795  0.34861700
   0.01948539  0.35676914  0.18608046
   0.75382690  0.43003892  0.14685422
   0.75642713  0.18026907  0.45035053
   0.51729170  0.10610202  0.43757527
   0.65476319  0.10594044  0.61066404
   0.82296018  0.20340632  0.80117193
   0.55927593  0.33042121  0.53154271
   0.84346123  0.44694409  0.83746219
   0.95526728  0.41437670  0.63902928
   0.69103006  0.39551319  0.68454349
   0.79069628  0.09445369  0.98053610
   0.53629086  0.12290572  0.92652353
   0.53160457  0.57782782  0.07147361
   0.86342016  0.72527287  0.28282164
   0.59713600  0.82893247  0.04393059
   0.85754568  0.98259929  0.33898145
   0.89182947  0.90340403  0.15272639
   0.65128925  0.87071009  0.22841990
   0.80112754  0.62368017  0.46144559
   0.56330762  0.57992263  0.37157867
   0.61158839  0.59486905  0.56476672
   0.83711912  0.68982758  0.78673446
   0.60863893  0.83325862  0.44721225
   0.88434421  0.93275788  0.85357427
   0.93376985  0.88372148  0.67305855
   0.68055106  0.90232969  0.74253052
   0.74684299  0.64018394  0.96878914
   0.49744521  0.68666900  0.89846111
   0.71820646  0.82659629  0.58644014
   0.55685398  0.85407036  0.38214008
   0.88437448  0.19839369  0.11124763
   0.97650044  0.43572896  0.29792622
   0.33087660  0.12350098  0.63321616
   0.26344496  0.77943115  0.75379790
   0.04799516  1.15082431  0.17493772
   0.25891236  1.05281659  0.01607935
   0.63004232  0.35261678  0.86560930
   0.88236397  0.35627022  0.62396412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.991260    0.384290   -0.008497
    -0.000000    9.901177    0.093382
    -0.000000    0.000000   13.924282
   Si   O    H 
    32    64    10
Direct configuration=   794
   0.17856653  0.16844176 -0.02083779
   0.39122111  0.08002198  0.37308149
   0.13141671  0.40931509  0.11179770
   0.38374637  0.33219529  0.24332356
   0.12594636  0.15536695  0.49336819
   0.42162168  0.14536422  0.84516086
   0.11747747  0.40802598  0.61675173
   0.35098610  0.38455409  0.75494257
   0.11145427  0.66085168  0.00710130
   0.39271448  0.58306951  0.35979252
   0.06438137  0.90680669  0.14001779
   0.32843892  0.83986109  0.24409809
   0.16054980  0.66466611  0.49736134
   0.35331208  0.64198263  0.87198425
   0.06379144  0.92073467  0.61524876
   0.34088074  0.98680978  0.67932264
   0.63996197  0.15166649  1.01103712
   0.87213590  0.14342582  0.37129133
   0.60295997  0.42867643  0.10928349
   0.86275203  0.30026383  0.17763154
   0.61739334  0.17955575  0.50934657
   0.88909283  0.08801448  0.88464416
   0.57080862  0.44837556  0.61149751
   0.73776251  0.34464346  0.79046822
   0.59322370  0.68615411 -0.00534695
   0.91106376  0.62123695  0.37011314
   0.55801198  0.91527563  0.13440761
   0.81189860  0.87422740  0.25679777
   0.64600509  0.66875039  0.46317075
   0.85253689  0.59615859  0.88535152
   0.62943140  0.93350559  0.63510851
   0.83817730  0.84340416  0.75824219
   0.08917272  0.07652524  0.13258284
   0.36410819  0.18204402  0.28117803
   0.12415048  0.30582949  0.02667650
   0.35922082  0.43198850  0.34249339
   0.52495879  0.35503749  0.19741578
   0.28472598  0.35624606  0.15334833
   0.26637894  0.09398949  0.44941550
   0.03038738  0.15608455  0.40052423
   0.05187134  0.07062290  0.57595517
   0.44909664  0.25272025  0.76061172
   0.15303031  0.30940853  0.52711256
   0.36515344  0.47838821  0.84947430
   0.43036759  0.46492052  0.66732305
   0.20179533  0.35350307  0.71302893
   0.30358572  0.21299718 -0.08985886
   0.04752722  0.11274054  0.91942170
   0.10991052  0.57194918  0.10336718
   0.34801191  0.67514283  0.26522951
   0.09031458  0.82175773  0.04013378
   0.39558266  0.93050390  0.33352778
   0.39734584  0.89050942  0.14452191
   0.16837323  0.85708742  0.22153200
   0.30402358  0.63507504  0.44970328
   0.06866828  0.65678609  0.39324082
   0.15844114  0.55320684  0.58304306
   0.29564083  0.69741638  0.76919161
   0.11510868  0.82032046  0.53230081
   0.36784627  1.00848796  0.79718805
   0.47346087  0.90496839  0.63469128
   0.19350070  0.91706351  0.69049786
   0.26189140  0.65198332 -0.03295558
  -0.00893135  0.63191590  0.92584695
   0.59156803  0.08678200  0.11323520
   0.83214607  0.23707699  0.27910953
   0.60436905  0.32191258  0.02337976
   0.91448560  0.46240908  0.34863886
   0.01889173  0.35791419  0.18678721
   0.75453006  0.42842144  0.14695931
   0.75557398  0.18094730  0.45074753
   0.51624467  0.10702025  0.43776255
   0.65338582  0.10662724  0.60951573
   0.82387918  0.20398627  0.80183940
   0.55930642  0.33039945  0.53113969
   0.84457343  0.44602584  0.83812374
   0.95677136  0.41320017  0.63887840
   0.69208621  0.39415073  0.68596450
   0.79155063  0.09476329  0.98022162
   0.53682799  0.12294128  0.92581805
   0.53310409  0.57562173  0.07038248
   0.86543057  0.72304570  0.28463396
   0.59736879  0.82842545  0.04310618
   0.85677848  0.98242044  0.33809412
   0.89039551  0.90137004  0.15293208
   0.65117912  0.86936101  0.22861208
   0.80183979  0.62535198  0.46106374
   0.56035546  0.58087219  0.37084688
   0.61054791  0.59499192  0.56494065
   0.83689873  0.68996895  0.78727167
   0.60920049  0.83299575  0.44620809
   0.88359110  0.93289013  0.85402382
   0.93391099  0.88448880  0.67296417
   0.68384593  0.90442067  0.74321326
   0.74764282  0.63965114  0.96783017
   0.49782270  0.68485418  0.89782317
   0.71803656  0.83509110  0.58740306
   0.56131172  0.85601007  0.37903520
   0.88214905  0.19400676  0.10899002
   0.97783985  0.44004933  0.29855171
   0.32976062  0.12232735  0.62856779
   0.26282063  0.78830210  0.75683011
   0.05023021  1.15119971  0.17228108
   0.25768157  1.05348622  0.01861409
   0.63562022  0.35604521  0.86277692
   0.88351404  0.35387045  0.62814547
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992070    0.387275   -0.007404
    -0.000000    9.901631    0.094632
    -0.000000    0.000000   13.925312
   Si   O    H 
    32    64    10
Direct configuration=   795
   0.17918840  0.16800750 -0.02089391
   0.39234066  0.08020222  0.37273677
   0.13100676  0.40949862  0.11260760
   0.38288641  0.33102342  0.24308989
   0.12595874  0.15577194  0.49280161
   0.42202003  0.14342824  0.84413603
   0.11610922  0.40699473  0.61639407
   0.35007714  0.38689215  0.75414712
   0.11280708  0.66046483  0.00777944
   0.39264413  0.58351404  0.35895164
   0.06354938  0.90708054  0.13947139
   0.32727953  0.84065006  0.24512831
   0.16211750  0.66454415  0.49661816
   0.35278832  0.64101766  0.87202105
   0.06321401  0.91959234  0.61519991
   0.34061655  0.98558947  0.67915997
   0.64050973  0.15198902  1.01165395
   0.87074281  0.14521521  0.37155813
   0.60175032  0.42871021  0.10894475
   0.86283494  0.29718083  0.17833674
   0.61625792  0.18023905  0.50962115
   0.88818235  0.08869499  0.88584544
   0.56863146  0.44884126  0.61158688
   0.73836392  0.34357255  0.79080334
   0.59446921  0.68631155 -0.00541060
   0.91100370  0.62038947  0.37013467
   0.55767437  0.91645949  0.13367986
   0.81182854  0.87471256  0.25673002
   0.64653826  0.66976950  0.46285708
   0.85312091  0.59547812  0.88517448
   0.63035636  0.93312507  0.63470149
   0.83785588  0.84297961  0.75869570
   0.08877768  0.07742106  0.13137028
   0.36434087  0.18202976  0.28163006
   0.12351333  0.30664505  0.02679858
   0.35917402  0.43278424  0.34165290
   0.52509152  0.35400133  0.19709957
   0.28423695  0.35709415  0.15228120
   0.26542768  0.09385541  0.44980789
   0.03020343  0.15793204  0.39997123
   0.05189650  0.07028513  0.57770330
   0.44807844  0.25371113  0.76179657
   0.15341892  0.30855307  0.52751857
   0.36445623  0.47833579  0.84933370
   0.42977172  0.46440829  0.66658938
   0.20136792  0.35250411  0.71335376
   0.30377234  0.21335248 -0.09012274
   0.04650580  0.11269874  0.91944684
   0.10938220  0.57265720  0.10338215
   0.35020919  0.67635940  0.26581269
   0.08954857  0.82185996  0.04081280
   0.39431113  0.93017322  0.33465249
   0.39851711  0.89274331  0.14527570
   0.16829319  0.85568834  0.22267079
   0.30424775  0.63451665  0.44984676
   0.06899684  0.65651649  0.39380402
   0.15736868  0.55375684  0.58329370
   0.29506761  0.69767540  0.76999564
   0.11500097  0.81909723  0.53380438
   0.36714171  1.01089710  0.79616344
   0.47459915  0.90525724  0.63558087
   0.19338325  0.91593291  0.68995606
   0.26175850  0.65006211 -0.03329079
  -0.00969849  0.63167166  0.92633387
   0.59114143  0.08592955  0.11333601
   0.83266569  0.23663026  0.27858622
   0.60417447  0.32182101  0.02377882
   0.91573734  0.46198685  0.34842058
   0.01856258  0.35861740  0.18712182
   0.75560608  0.42581232  0.14711354
   0.75477964  0.18095684  0.45098479
   0.51553933  0.10775642  0.43836816
   0.65173932  0.10587655  0.60833855
   0.82521086  0.20440749  0.80261311
   0.55953149  0.33060154  0.53083710
   0.84629362  0.44543203  0.83859296
   0.95850882  0.41360323  0.63895479
   0.69245440  0.39233894  0.68687706
   0.79179605  0.09509006  0.98047326
   0.53696865  0.12178520  0.92515583
   0.53460940  0.57377234  0.06941187
   0.86701736  0.72104646  0.28535526
   0.59692472  0.82832994  0.04298190
   0.85601675  0.98244785  0.33720014
   0.88839218  0.89968325  0.15252301
   0.65116484  0.86857892  0.22899975
   0.80287832  0.62683822  0.46115242
   0.55751102  0.58238255  0.37042374
   0.60907812  0.59485204  0.56519021
   0.83709638  0.69006894  0.78760525
   0.60996836  0.83368594  0.44470788
   0.88255398  0.93288145  0.85389676
   0.93340040  0.88464547  0.67277573
   0.68675358  0.90624009  0.74412515
   0.74858793  0.63980106  0.96680802
   0.49835870  0.68283197  0.89749054
   0.71588463  0.84259358  0.58709158
   0.56810325  0.85335802  0.38385534
   0.87661157  0.19025001  0.10794124
   0.98357033  0.44320561  0.29747196
   0.33083441  0.11889566  0.62519491
   0.25827583  0.79694503  0.75844017
   0.05614119  1.14606798  0.16893908
   0.25503015  1.05522168  0.02414753
   0.63519957  0.35934459  0.86354453
   0.88326613  0.35172968  0.62944591
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992631    0.389763   -0.005611
    -0.000000    9.901931    0.095655
    -0.000000    0.000000   13.926622
   Si   O    H 
    32    64    10
Direct configuration=   796
   0.17947189  0.16783465 -0.02149641
   0.39274135  0.08078861  0.37265464
   0.13153570  0.41011797  0.11316370
   0.38239754  0.33082821  0.24283061
   0.12639138  0.15586953  0.49229475
   0.42275306  0.14150303  0.84380202
   0.11482692  0.40590466  0.61618108
   0.34909533  0.38907581  0.75327288
   0.11400691  0.66024528  0.00852773
   0.39215496  0.58435497  0.35855615
   0.06219464  0.90794102  0.13899150
   0.32665814  0.84105510  0.24608687
   0.16302033  0.66464492  0.49602029
   0.35187600  0.64014521  0.87201661
   0.06219567  0.91864993  0.61541857
   0.34045340  0.98526187  0.67898476
   0.64026535  0.15220191  1.01184843
   0.86933542  0.14592077  0.37143426
   0.60016756  0.42850991  0.10892363
   0.86320415  0.29474430  0.17887737
   0.61487217  0.18130188  0.50994713
   0.88722770  0.08995172  0.88693133
   0.56681711  0.44978640  0.61158423
   0.73895091  0.34275727  0.79114378
   0.59516751  0.68648247 -0.00591476
   0.91124369  0.62006258  0.37009234
   0.55756865  0.91757484  0.13311096
   0.81236548  0.87491628  0.25696971
   0.64659464  0.67044554  0.46265961
   0.85286987  0.59462310  0.88480029
   0.63127556  0.93398499  0.63432916
   0.83737764  0.84288816  0.75912131
   0.08764638  0.07660010  0.12991583
   0.36508276  0.18176319  0.28262064
   0.12302275  0.30777981  0.02656596
   0.35931604  0.43231538  0.34084998
   0.52505221  0.35309923  0.19719552
   0.28313473  0.35830006  0.15135590
   0.26394666  0.09400710  0.45037778
   0.03052059  0.15940297  0.39957655
   0.05174575  0.07001071  0.57922288
   0.44706340  0.25403783  0.76225516
   0.15368392  0.30794407  0.52723351
   0.36405472  0.47801239  0.84857679
   0.42891966  0.46381952  0.66655566
   0.20112887  0.35172843  0.71396594
   0.30371637  0.21455198 -0.09084131
   0.04476715  0.11331159  0.91938883
   0.10965009  0.57250161  0.10293743
   0.35247333  0.67771789  0.26662380
   0.08914793  0.82166448  0.04120975
   0.39360535  0.92999931  0.33581311
   0.40025484  0.89462612  0.14626927
   0.16710816  0.85451685  0.22362928
   0.30532960  0.63444494  0.45016226
   0.06991488  0.65578426  0.39499603
   0.15577565  0.55478647  0.58252469
   0.29398634  0.69835734  0.77119160
   0.11454816  0.81774964  0.53467100
   0.36693222  1.01263754  0.79504548
   0.47584978  0.90546687  0.63601146
   0.19297085  0.91510232  0.68887308
   0.26188710  0.64837815 -0.03225428
  -0.00937385  0.63134871  0.92775813
   0.59020143  0.08496788  0.11344401
   0.83281530  0.23647414  0.27822906
   0.60410145  0.32146109  0.02400393
   0.91716152  0.46176680  0.34826050
   0.01802923  0.35930150  0.18697560
   0.75668804  0.42418422  0.14725034
   0.75420102  0.18112418  0.45120669
   0.51547290  0.10946070  0.43885112
   0.64922087  0.10460020  0.60796097
   0.82688379  0.20371654  0.80318199
   0.55904081  0.33095268  0.53036606
   0.84851034  0.44457016  0.83933724
   0.95966834  0.41438322  0.63921145
   0.69187571  0.39093506  0.68726556
   0.79168125  0.09611347  0.98082430
   0.53781285  0.11959628  0.92517014
   0.53604430  0.57205116  0.06884419
   0.86777080  0.71966790  0.28572154
   0.59699281  0.82808187  0.04295376
   0.85541335  0.98244098  0.33633301
   0.88682867  0.89803566  0.15209293
   0.65133142  0.86835985  0.22996900
   0.80438536  0.62786492  0.46110542
   0.55562969  0.58411137  0.37030535
   0.60754054  0.59490213  0.56490142
   0.83847482  0.69073297  0.78743288
   0.61110366  0.83360160  0.44350034
   0.88142443  0.93254452  0.85361469
   0.93269712  0.88521183  0.67261427
   0.68973359  0.90807635  0.74463368
   0.74918416  0.63928029  0.96633074
   0.49992346  0.68202033  0.89683122
   0.71483152  0.84381113  0.58361487
   0.57278272  0.85197366  0.38380872
   0.87148210  0.18702466  0.10721654
   0.98871441  0.44065989  0.29732711
   0.32766187  0.11464237  0.62314031
   0.25621407  0.79445463  0.76233081
   0.05570502  1.15368645  0.17158414
   0.24771457  1.05816353  0.03090183
   0.63092654  0.36186921  0.86233725
   0.88809978  0.35133932  0.62870219
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993032    0.392009   -0.003809
    -0.000000    9.901867    0.096594
    -0.000000    0.000000   13.928328
   Si   O    H 
    32    64    10
Direct configuration=   797
   0.17927443  0.16798641 -0.02241705
   0.39219600  0.08171098  0.37310911
   0.13281391  0.41070132  0.11377967
   0.38222470  0.33169454  0.24276995
   0.12706700  0.15632036  0.49214526
   0.42365339  0.14027612  0.84389669
   0.11444118  0.40495772  0.61618072
   0.34809240  0.39057121  0.75262800
   0.11508089  0.66043504  0.00905285
   0.39209786  0.58475984  0.35863504
   0.06150805  0.90861472  0.13845960
   0.32620509  0.84138127  0.24683328
   0.16375374  0.66515338  0.49541825
   0.35095727  0.63927582  0.87224598
   0.06172638  0.91761723  0.61572075
   0.34033517  0.98496910  0.67857401
   0.64045367  0.15234832  1.01202115
   0.86837177  0.14618806  0.37154656
   0.59865576  0.42806042  0.10916842
   0.86325211  0.29314340  0.17922815
   0.61405478  0.18198950  0.51019124
   0.88574687  0.09127714  0.88809025
   0.56489721  0.45089450  0.61183141
   0.73961111  0.34226003  0.79152530
   0.59599872  0.68584188 -0.00671254
   0.91117616  0.61987809  0.37072971
   0.55751988  0.91917106  0.13262324
   0.81355415  0.87510447  0.25729860
   0.64632442  0.67066824  0.46301591
   0.85305564  0.59380955  0.88445928
   0.63223592  0.93449622  0.63402331
   0.83770742  0.84264925  0.76004391
   0.08598865  0.07551907  0.12873883
   0.36577185  0.18140349  0.28378823
   0.12224636  0.30945137  0.02544264
   0.35974748  0.43144465  0.34024442
   0.52524872  0.35107395  0.19729699
   0.28172443  0.35864173  0.15126911
   0.26282348  0.09403263  0.45121987
   0.02995093  0.15997845  0.39917720
   0.05080779  0.07112116  0.58048095
   0.44622259  0.25475594  0.76279215
   0.15375324  0.30736222  0.52722647
   0.36337794  0.47754560  0.84824609
   0.42796298  0.46304200  0.66654438
   0.20060279  0.35128599  0.71491092
   0.30357749  0.21549565 -0.09191597
   0.04333502  0.11344129  0.91938800
   0.10974228  0.57202241  0.10278253
   0.35457311  0.67857790  0.26702907
   0.08861271  0.82050129  0.04128991
   0.39270549  0.92979636  0.33708626
   0.40125360  0.89631860  0.14770941
   0.16611941  0.85361858  0.22415649
   0.30615643  0.63432991  0.45028795
   0.07031528  0.65509229  0.39684654
   0.15434944  0.55576528  0.58233957
   0.29294867  0.69904793  0.77223044
   0.11384103  0.81584673  0.53480129
   0.36631863  1.01331226  0.79398975
   0.47611347  0.90499780  0.63614105
   0.19279019  0.91392877  0.68837357
   0.26266582  0.64703947 -0.03135659
  -0.00735541  0.63122786  0.92952322
   0.58852105  0.08311615  0.11348685
   0.83303752  0.23635660  0.27847409
   0.60401332  0.32030190  0.02374341
   0.91903430  0.46124923  0.34804165
   0.01768910  0.35938909  0.18701039
   0.75815254  0.42279497  0.14714508
   0.75500393  0.18134929  0.45071948
   0.51511780  0.11208278  0.43911267
   0.64690160  0.10273918  0.60757418
   0.82871920  0.20304685  0.80374961
   0.55757527  0.33237584  0.52937147
   0.85023191  0.44371866  0.84062392
   0.96052705  0.41587332  0.63953791
   0.69075371  0.38918096  0.68745729
   0.79102483  0.09766579  0.98146163
   0.53882932  0.11723419  0.92573808
   0.53819452  0.57017560  0.06855239
   0.86814023  0.71933905  0.28589190
   0.59688913  0.82842214  0.04314250
   0.85443718  0.98335110  0.33516956
   0.88556795  0.89671581  0.15197556
   0.65120735  0.86805161  0.23089030
   0.80577339  0.62852565  0.46180602
   0.55532574  0.58544677  0.37040858
   0.60692792  0.59545919  0.56490029
   0.84014942  0.69165871  0.78755422
   0.61321170  0.83212344  0.44239751
   0.87952857  0.93285825  0.85315758
   0.93175818  0.88554760  0.67208160
   0.69166287  0.90978104  0.74527473
   0.75001226  0.63874859  0.96603766
   0.50160855  0.68199164  0.89644600
   0.71437792  0.84045008  0.57902829
   0.56829702  0.85710257  0.37412878
   0.86824347  0.18583084  0.10616246
   0.98783844  0.43746495  0.30187544
   0.32458152  0.10966873  0.62411849
   0.25421842  0.78731653  0.76930332
   0.05773129  1.15598235  0.17056501
   0.23967474  1.06109649  0.03710132
   0.62760265  0.36172152  0.86279862
   0.89359138  0.35618754  0.62884011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993660    0.394170   -0.001910
    -0.000000    9.901230    0.097802
    -0.000000    0.000000   13.929964
   Si   O    H 
    32    64    10
Direct configuration=   798
   0.17904763  0.16790354 -0.02352125
   0.39173753  0.08269333  0.37414436
   0.13448351  0.41143485  0.11407980
   0.38112851  0.33278031  0.24280375
   0.12743693  0.15721766  0.49187727
   0.42438529  0.13897367  0.84398406
   0.11459776  0.40365778  0.61636365
   0.34721157  0.39193330  0.75170340
   0.11555238  0.66124606  0.00893668
   0.39228582  0.58522796  0.35871125
   0.06121580  0.90901700  0.13793948
   0.32589643  0.84229900  0.24750122
   0.16358306  0.66598611  0.49470717
   0.35056333  0.63777695  0.87237609
   0.06109080  0.91645681  0.61583060
   0.33934420  0.98517699  0.67817056
   0.64040038  0.15308963  1.01230717
   0.86791852  0.14687342  0.37173302
   0.59763864  0.42761042  0.10943852
   0.86352899  0.29230741  0.17912445
   0.61288302  0.18300188  0.51059923
   0.88478587  0.09299574  0.88928423
   0.56349031  0.45184921  0.61180849
   0.74004221  0.34248793  0.79221504
   0.59675121  0.68479142 -0.00728642
   0.91193857  0.61947643  0.37165515
   0.55785574  0.92059938  0.13271867
   0.81433933  0.87439231  0.25785829
   0.64581597  0.67020303  0.46333032
   0.85280470  0.59354011  0.88432579
   0.63367503  0.93542632  0.63371557
   0.83836673  0.84254486  0.76086981
   0.08468743  0.07453554  0.12802899
   0.36650790  0.18034988  0.28535031
   0.12146536  0.31084705  0.02486998
   0.35976540  0.43097549  0.33921874
   0.52557675  0.34966397  0.19709538
   0.28069719  0.35915414  0.15128200
   0.26243513  0.09340556  0.45222708
   0.02880227  0.16071025  0.39882060
   0.04943067  0.07258691  0.58143917
   0.44527194  0.25493952  0.76306414
   0.15375963  0.30689274  0.52697024
   0.36397931  0.47737773  0.84818520
   0.42664578  0.46252538  0.66642685
   0.19939741  0.35068567  0.71579596
   0.30319840  0.21588225 -0.09238205
   0.04178768  0.11337338  0.91884223
   0.10910937  0.57033997  0.10306476
   0.35674582  0.67985393  0.26692385
   0.08825311  0.81951276  0.04105706
   0.39135225  0.92939889  0.33874833
   0.40226818  0.89771161  0.14886007
   0.16621321  0.85279742  0.22470810
   0.30813112  0.63401417  0.45046674
   0.06941371  0.65403815  0.39822149
   0.15282922  0.55669198  0.58184247
   0.29281903  0.69967810  0.77300753
   0.11276403  0.81325007  0.53510257
   0.36647865  1.01410811  0.79331646
   0.47570718  0.90504942  0.63640761
   0.19261034  0.91303253  0.68801711
   0.26244070  0.64646744 -0.03051786
  -0.00538583  0.63079230  0.93111916
   0.58786576  0.08237525  0.11373828
   0.83327494  0.23512744  0.27882195
   0.60372551  0.31889443  0.02305472
   0.92003662  0.46099716  0.34813181
   0.01707338  0.35858769  0.18738306
   0.75940871  0.42147130  0.14641443
   0.75535886  0.18170334  0.45010227
   0.51478706  0.11443999  0.43843622
   0.64523012  0.10009395  0.60736319
   0.83120766  0.20163350  0.80475137
   0.55647414  0.33356308  0.52887486
   0.85205424  0.44259284  0.84226819
   0.96091683  0.41815033  0.63960633
   0.69011106  0.38874141  0.68719648
   0.79089503  0.10043851  0.98209086
   0.53941941  0.11474580  0.92594571
   0.53971273  0.56798822  0.06762302
   0.86822253  0.71949508  0.28595277
   0.59705758  0.82864772  0.04299813
   0.85403516  0.98420744  0.33424924
   0.88487427  0.89529903  0.15200675
   0.65081622  0.86801780  0.23154294
   0.80682155  0.62898430  0.46257033
   0.55569669  0.58699695  0.37121550
   0.60625086  0.59604218  0.56476707
   0.84137943  0.69211777  0.78787364
   0.61555212  0.83138817  0.44085328
   0.87891351  0.93297191  0.85243873
   0.93041514  0.88589443  0.67153648
   0.69284685  0.91187284  0.74565330
   0.74960710  0.63745848  0.96546638
   0.50224405  0.68200313  0.89551516
   0.71562072  0.83667496  0.57420397
   0.56838254  0.85558306  0.37077077
   0.86317173  0.18652982  0.10379610
   0.99020370  0.43456422  0.30264779
   0.31965750  0.11109619  0.62528398
   0.24537561  0.78677141  0.77633156
   0.06150178  1.15137144  0.16957890
   0.23513940  1.06247398  0.04451033
   0.62760360  0.36054663  0.86099899
   0.89156605  0.35648302  0.62683749
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994542    0.396149   -0.000154
    -0.000000    9.900746    0.099177
    -0.000000    0.000000   13.931660
   Si   O    H 
    32    64    10
Direct configuration=   799
   0.17842142  0.16787117 -0.02421029
   0.39122840  0.08341678  0.37542945
   0.13555165  0.41185066  0.11443498
   0.38006265  0.33420515  0.24307140
   0.12700534  0.15833357  0.49202496
   0.42480635  0.13745288  0.84439037
   0.11528973  0.40295764  0.61596527
   0.34667471  0.39291630  0.75100734
   0.11604546  0.66207579  0.00869290
   0.39284747  0.58503339  0.35849687
   0.06049148  0.90916504  0.13733498
   0.32511484  0.84310283  0.24774552
   0.16291893  0.66687000  0.49403677
   0.34984812  0.63590476  0.87206052
   0.06077930  0.91552632  0.61555078
   0.33873344  0.98532415  0.67740353
   0.64002995  0.15442929  1.01234706
   0.86759217  0.14767956  0.37195783
   0.59750734  0.42709281  0.10993275
   0.86301302  0.29186587  0.17850651
   0.61233103  0.18423002  0.51092628
   0.88394100  0.09417685  0.89086214
   0.56290691  0.45246910  0.61190621
   0.74110258  0.34180932  0.79326714
   0.59749523  0.68331825 -0.00782781
   0.91263253  0.61925148  0.37285918
   0.55815619  0.92180913  0.13278312
   0.81463284  0.87303963  0.25794137
   0.64494571  0.66937945  0.46374103
   0.85270938  0.59309291  0.88417052
   0.63566533  0.93575495  0.63321873
   0.83899373  0.84316542  0.76199823
   0.08299638  0.07327389  0.12774213
   0.36704111  0.17985411  0.28645597
   0.12092304  0.31252907  0.02382307
   0.35909336  0.43036898  0.33778894
   0.52579040  0.34866206  0.19720837
   0.27985092  0.35964181  0.15149178
   0.26254266  0.09244076  0.45313196
   0.02747135  0.16232997  0.39852371
   0.04757031  0.07439623  0.58226577
   0.44368013  0.25530919  0.76314186
   0.15340852  0.30710948  0.52672782
   0.36414148  0.47685381  0.84784376
   0.42496684  0.46247591  0.66577662
   0.19807673  0.35029559  0.71643684
   0.30268431  0.21657888 -0.09329710
   0.04065710  0.11341344  0.91812055
   0.10824237  0.56795219  0.10381663
   0.35850429  0.68178050  0.26683681
   0.08808160  0.81852694  0.04117657
   0.38948840  0.92757665  0.34004545
   0.40345528  0.89856148  0.14962306
   0.16596536  0.85285473  0.22461850
   0.31044969  0.63396305  0.45073790
   0.06826500  0.65415733  0.39935220
   0.15114805  0.55671635  0.58107809
   0.29298491  0.70000719  0.77359274
   0.11182985  0.81075854  0.53493951
   0.36652780  1.01396841  0.79241847
   0.47502601  0.90447596  0.63676570
   0.19297477  0.91244637  0.68765717
   0.26276329  0.64577399 -0.02957286
  -0.00415541  0.63099261  0.93299505
   0.58720390  0.08148819  0.11385930
   0.83199292  0.23390701  0.28010642
   0.60406942  0.31786449  0.02207458
   0.92063934  0.46080337  0.34785728
   0.01751078  0.35753619  0.18730287
   0.76043954  0.42046015  0.14558527
   0.75661462  0.18245655  0.44947346
   0.51451576  0.11690420  0.43764847
   0.64396654  0.09811512  0.60772065
   0.83292293  0.19907439  0.80575000
   0.55583590  0.33528249  0.52839730
   0.85377359  0.44147200  0.84343061
   0.96087609  0.42048528  0.63950031
   0.68930263  0.38821517  0.68682596
   0.79093655  0.10343704  0.98297899
   0.54022389  0.11239852  0.92602995
   0.54100451  0.56519195  0.06650602
   0.86802950  0.71936437  0.28568243
   0.59750485  0.82931841  0.04264456
   0.85409402  0.98489309  0.33363103
   0.88457791  0.89399623  0.15271077
   0.64997391  0.86892535  0.23162733
   0.80749733  0.62943455  0.46307899
   0.55521341  0.58909221  0.37269690
   0.60584702  0.59676605  0.56502863
   0.84255619  0.69178217  0.78799735
   0.61693225  0.83074624  0.43845148
   0.87888830  0.93388099  0.85250444
   0.92919718  0.88544989  0.67181576
   0.69387349  0.91309214  0.74599461
   0.74948021  0.63600317  0.96546090
   0.50271666  0.68250375  0.89515198
   0.71491622  0.83741577  0.56899422
   0.57428993  0.84921036  0.37353605
   0.86073658  0.18899657  0.10425793
   0.98920494  0.43195216  0.30214421
   0.31972732  0.11294063  0.62533930
   0.23512125  0.78959581  0.78229655
   0.06589375  1.14360472  0.16957520
   0.23214388  1.06631731  0.04577703
   0.62753468  0.35757236  0.85535267
   0.89057538  0.35518365  0.62549891
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994746    0.398151    0.001762
    -0.000000    9.900339    0.100030
    -0.000000    0.000000   13.933414
   Si   O    H 
    32    64    10
Direct configuration=   800
   0.17748244  0.16839504 -0.02491234
   0.39000442  0.08356193  0.37699072
   0.13613394  0.41152121  0.11483025
   0.37908084  0.33525917  0.24363913
   0.12660573  0.15896449  0.49265189
   0.42511804  0.13626868  0.84507599
   0.11643744  0.40282686  0.61607370
   0.34674310  0.39355613  0.75044983
   0.11606990  0.66350847  0.00862067
   0.39346582  0.58537961  0.35844854
   0.05976817  0.90918723  0.13652582
   0.32436980  0.84321099  0.24781424
   0.16176439  0.66701352  0.49342631
   0.34939165  0.63385924  0.87164128
   0.06029241  0.91418218  0.61531577
   0.33852654  0.98527461  0.67679649
   0.63948137  0.15597109  1.01263402
   0.86717905  0.14806241  0.37188521
   0.59777069  0.42609759  0.11056977
   0.86254468  0.29176080  0.17795677
   0.61261375  0.18489273  0.51089449
   0.88338932  0.09455729  0.89224468
   0.56261773  0.45270493  0.61178161
   0.74243663  0.34127748  0.79369203
   0.59873691  0.68143238 -0.00792966
   0.91381457  0.61874209  0.37408902
   0.55867906  0.92302214  0.13336354
   0.81475566  0.87169173  0.25736577
   0.64391748  0.66874662  0.46436911
   0.85299245  0.59284241  0.88364482
   0.63665370  0.93609340  0.63258933
   0.83955824  0.84425604  0.76313833
   0.08163050  0.07145747  0.12711888
   0.36775170  0.17981519  0.28726568
   0.12065104  0.31341974  0.02215444
   0.35767626  0.42920396  0.33613553
   0.52629715  0.34815664  0.19720582
   0.28042207  0.35999001  0.15184184
   0.26257523  0.09177793  0.45375597
   0.02429159  0.16398964  0.39809490
   0.04669982  0.07625837  0.58286505
   0.44309497  0.25530854  0.76254106
   0.15308305  0.30796983  0.52669468
   0.36416378  0.47680908  0.84757819
   0.42311653  0.46302617  0.66511577
   0.19601307  0.35047938  0.71653811
   0.30184722  0.21754670 -0.09422615
   0.04009256  0.11323553  0.91716787
   0.10708308  0.56620843  0.10468831
   0.36044566  0.68310084  0.26675606
   0.08920719  0.81729263  0.04129668
   0.38772277  0.92592505  0.34157477
   0.40366057  0.89872505  0.15100004
   0.16661898  0.85313072  0.22436908
   0.31290509  0.63410860  0.45056719
   0.06742908  0.65445470  0.40072015
   0.14986832  0.55689727  0.58004528
   0.29310011  0.70085697  0.77504241
   0.11169163  0.80870268  0.53466867
   0.36756079  1.01316995  0.79086314
   0.47472644  0.90338756  0.63721912
   0.19361263  0.91101713  0.68731639
   0.26217617  0.64521151 -0.02927318
  -0.00285870  0.63014614  0.93441790
   0.58698594  0.08004472  0.11373738
   0.83043245  0.23328598  0.28089358
   0.60419649  0.31651183  0.02030493
   0.92098688  0.45987955  0.34777169
   0.01828917  0.35718273  0.18712652
   0.76146988  0.41917742  0.14471949
   0.75826518  0.18342566  0.44946325
   0.51451666  0.11885699  0.43682178
   0.64314424  0.09576843  0.60818390
   0.83445073  0.19711557  0.80602155
   0.55493297  0.33691268  0.52800506
   0.85512543  0.44044524  0.84445708
   0.95983535  0.42251339  0.63953292
   0.68788350  0.38803773  0.68622783
   0.79027344  0.10667830  0.98475795
   0.54141350  0.11049077  0.92546504
   0.54234621  0.56396538  0.06583603
   0.86751946  0.71879520  0.28474681
   0.59755063  0.82995833  0.04264792
   0.85371481  0.98665272  0.33277373
   0.88560631  0.89398674  0.15374838
   0.64931139  0.86921377  0.23175504
   0.80841496  0.63014979  0.46329527
   0.55499872  0.59230029  0.37417844
   0.60421313  0.59815890  0.56511112
   0.84301905  0.69016390  0.78776123
   0.61857199  0.83034715  0.43581702
   0.87874800  0.93470753  0.85295605
   0.92897337  0.88505725  0.67173508
   0.69413806  0.91514104  0.74559464
   0.74873890  0.63474592  0.96485559
   0.50350354  0.68321105  0.89492206
   0.71132873  0.83907149  0.56930178
   0.58337537  0.84758816  0.37801576
   0.85987265  0.19489918  0.10656779
   0.99181511  0.42998072  0.30157798
   0.32235762  0.11496512  0.62489662
   0.23279741  0.78499009  0.78498040
   0.06633309  1.15113797  0.17703773
   0.22920103  1.06847975  0.04411810
   0.62764220  0.35945988  0.85137182
   0.88930427  0.35552351  0.62314288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994820    0.400405    0.003608
    -0.000000    9.900013    0.100564
    -0.000000    0.000000   13.935059
   Si   O    H 
    32    64    10
Direct configuration=   801
   0.17656819  0.16924192 -0.02520661
   0.38852174  0.08348589  0.37844262
   0.13670964  0.41104556  0.11469605
   0.37840785  0.33584207  0.24443034
   0.12675848  0.15937133  0.49339358
   0.42500597  0.13522107  0.84623278
   0.11716891  0.40271029  0.61615305
   0.34662789  0.39353075  0.74973635
   0.11559272  0.66527759  0.00871634
   0.39360603  0.58596354  0.35827644
   0.05846096  0.90837652  0.13590126
   0.32361159  0.84337367  0.24831557
   0.16082296  0.66611615  0.49288041
   0.34865249  0.63179079  0.87137536
   0.06046804  0.91276971  0.61527023
   0.33855489  0.98532610  0.67663362
   0.63894851  0.15736860  1.01282560
   0.86730183  0.14816605  0.37165740
   0.59831777  0.42451083  0.11109568
   0.86189554  0.29195800  0.17750606
   0.61335305  0.18598851  0.51087256
   0.88304721  0.09482003  0.89343963
   0.56197176  0.45242145  0.61159680
   0.74382170  0.34113663  0.79421469
   0.59885295  0.68011308 -0.00820697
   0.91465324  0.61897837  0.37496705
   0.55869365  0.92419007  0.13400976
   0.81553706  0.87099428  0.25683314
   0.64269662  0.66762177  0.46499321
   0.85366601  0.59277920  0.88340853
   0.63682350  0.93647469  0.63244512
   0.84008361  0.84588361  0.76372833
   0.08067283  0.06999899  0.12679001
   0.36851022  0.18070581  0.28761666
   0.11991613  0.31475202  0.02028420
   0.35632841  0.42879974  0.33384995
   0.52775595  0.34730858  0.19700240
   0.28094551  0.36062773  0.15237873
   0.26229323  0.09101317  0.45415334
   0.02113032  0.16513583  0.39774021
   0.04657463  0.07768681  0.58304371
   0.44297968  0.25548182  0.76209079
   0.15299753  0.30940925  0.52643599
   0.36370645  0.47662311  0.84684963
   0.42073597  0.46430338  0.66386517
   0.19407366  0.35063955  0.71659844
   0.30122051  0.21816633 -0.09474884
   0.03989730  0.11221980  0.91614384
   0.10600135  0.56442403  0.10521627
   0.36235329  0.68532175  0.26639316
   0.09056984  0.81734897  0.04150257
   0.38540232  0.92465620  0.34286704
   0.40409297  0.89886701  0.15271911
   0.16657552  0.85353252  0.22407957
   0.31511196  0.63431217  0.45061078
   0.06557199  0.65481903  0.40165849
   0.14849123  0.55658006  0.57906875
   0.29231261  0.70249039  0.77616368
   0.11197856  0.80831871  0.53420484
   0.36877500  1.01172547  0.78933490
   0.47506961  0.90230153  0.63704011
   0.19400607  0.90994722  0.68695294
   0.26274511  0.64506320 -0.02883205
  -0.00100898  0.62959988  0.93601833
   0.58756349  0.07942073  0.11331342
   0.82948937  0.23267709  0.28168898
   0.60427816  0.31522181  0.01832807
   0.92127209  0.45971423  0.34664221
   0.01868253  0.35671287  0.18685899
   0.76205380  0.41843125  0.14369228
   0.75888505  0.18432650  0.44979322
   0.51485883  0.12042672  0.43549911
   0.64222750  0.09407308  0.60845249
   0.83501665  0.19509382  0.80636917
   0.55369425  0.33829774  0.52783841
   0.85683226  0.43979007  0.84562052
   0.95857350  0.42385459  0.63936728
   0.68651194  0.38762770  0.68560011
   0.78995217  0.10985666  0.98670824
   0.54316426  0.10891606  0.92497721
   0.54344463  0.56386224  0.06562498
   0.86758501  0.71787614  0.28454881
   0.59754138  0.83046677  0.04190708
   0.85263028  0.98881624  0.33241128
   0.88733807  0.89390568  0.15435691
   0.64817174  0.86964030  0.23160339
   0.80836385  0.63081918  0.46363426
   0.55490797  0.59523394  0.37572244
   0.60286630  0.59963985  0.56622653
   0.84355327  0.68824924  0.78791541
   0.62040104  0.82967274  0.43460648
   0.87860898  0.93456771  0.85344959
   0.92911267  0.88414161  0.67170140
   0.69371330  0.91756504  0.74525859
   0.74801197  0.63374291  0.96450284
   0.50380260  0.68465372  0.89470108
   0.70500795  0.84150553  0.57229356
   0.58500587  0.85204593  0.36726909
   0.86404266  0.19657626  0.10821937
   0.99362912  0.43026710  0.30194828
   0.32715745  0.11412746  0.62799844
   0.23722753  0.77560622  0.78594399
   0.06584866  1.14917545  0.17776519
   0.22630344  1.07052416  0.04011167
   0.62354402  0.35719309  0.85087296
   0.89473991  0.35861863  0.62207426
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994319    0.402372    0.005709
    -0.000000    9.899935    0.101128
    -0.000000    0.000000   13.936794
   Si   O    H 
    32    64    10
Direct configuration=   802
   0.17519173  0.17049142 -0.02601089
   0.38652494  0.08356942  0.38021306
   0.13717488  0.41013288  0.11446400
   0.37821989  0.33590986  0.24491438
   0.12662932  0.15961499  0.49425056
   0.42440491  0.13479418  0.84719148
   0.11762765  0.40295995  0.61684127
   0.34713596  0.39273627  0.74931878
   0.11477718  0.66664854  0.00881499
   0.39359154  0.58661648  0.35855987
   0.05688343  0.90691495  0.13516526
   0.32296836  0.84429213  0.24907319
   0.16019720  0.66581743  0.49277415
   0.34813135  0.62986480  0.87115796
   0.06106671  0.91201455  0.61540249
   0.33877342  0.98515054  0.67679651
   0.63832832  0.15788947  1.01354525
   0.86713607  0.14763265  0.37115185
   0.59965467  0.42292089  0.11110717
   0.86092058  0.29211858  0.17722338
   0.61396506  0.18751125  0.51100639
   0.88291051  0.09520235  0.89460567
   0.56143916  0.45181521  0.61128310
   0.74555567  0.34135849  0.79476636
   0.59972091  0.67918999 -0.00839648
   0.91482155  0.61938182  0.37579971
   0.55875467  0.92547556  0.13452748
   0.81572133  0.87084961  0.25657437
   0.64199374  0.66615626  0.46501218
   0.85465531  0.59280094  0.88316374
   0.63629278  0.93629205  0.63326914
   0.83993963  0.84752804  0.76420717
   0.07963750  0.06864960  0.12646386
   0.36895963  0.18184285  0.28798194
   0.11875684  0.31561476  0.01901457
   0.35518676  0.42878772  0.33210624
   0.52934523  0.34604367  0.19794867
   0.28159284  0.36130215  0.15303284
   0.26133295  0.09013828  0.45444729
   0.01896916  0.16607257  0.39797404
   0.04647516  0.07908852  0.58322485
   0.44295511  0.25558017  0.76193141
   0.15312374  0.31012493  0.52627096
   0.36325726  0.47610720  0.84608068
   0.41774039  0.46553488  0.66251800
   0.19279915  0.35218244  0.71662517
   0.30117594  0.21792755 -0.09489126
   0.04003620  0.11132302  0.91558926
   0.10485957  0.56298729  0.10529239
   0.36414441  0.68713582  0.26593453
   0.09194649  0.81809872  0.04199640
   0.38289042  0.92412303  0.34385598
   0.40421181  0.89865142  0.15451474
   0.16595149  0.85405002  0.22354815
   0.31679253  0.63559163  0.45031972
   0.06413060  0.65576254  0.40216046
   0.14695837  0.55626677  0.57870664
   0.29197800  0.70317255  0.77715812
   0.11243971  0.80881152  0.53347812
   0.37010814  1.01028000  0.78824607
   0.47463363  0.90084061  0.63705705
   0.19446896  0.90840560  0.68656793
   0.26328656  0.64517264 -0.02865178
   0.00042846  0.62909869  0.93754454
   0.58906588  0.07945886  0.11319988
   0.82909585  0.23252292  0.28185630
   0.60388510  0.31518520  0.01679404
   0.92149337  0.45944010  0.34518638
   0.01876849  0.35646069  0.18678398
   0.76166193  0.41832570  0.14299305
   0.75855514  0.18562394  0.45064399
   0.51561773  0.12169189  0.43429686
   0.64151136  0.09282748  0.60836416
   0.83601643  0.19324122  0.80683101
   0.55286731  0.33955655  0.52783469
   0.85879733  0.43927458  0.84655733
   0.95751631  0.42553105  0.63982281
   0.68514905  0.38838828  0.68560723
   0.78993459  0.11296159  0.98847710
   0.54465610  0.10798053  0.92504638
   0.54439842  0.56421735  0.06552198
   0.86751883  0.71612058  0.28460680
   0.59786408  0.83083050  0.04098080
   0.85150526  0.99014853  0.33242560
   0.88962058  0.89356553  0.15490873
   0.64718451  0.87006498  0.23114065
   0.80746484  0.63102946  0.46410794
   0.55471933  0.59790114  0.37702418
   0.60202951  0.60055425  0.56735432
   0.84381669  0.68653452  0.78864707
   0.62234232  0.82891060  0.43333867
   0.87823484  0.93437253  0.85407827
   0.92950972  0.88267110  0.67133334
   0.69235603  0.92003702  0.74435874
   0.74656304  0.63400337  0.96417330
   0.50442947  0.68543003  0.89487844
   0.70102014  0.84196337  0.57484674
   0.58802736  0.85855405  0.36077752
   0.87050371  0.19266236  0.10543361
   0.99320662  0.43068371  0.30236868
   0.32957181  0.11475368  0.62993685
   0.23200645  0.77768193  0.78666979
   0.06662070  1.13897315  0.17458092
   0.22769281  1.07169317  0.03420749
   0.62173823  0.35563510  0.84958251
   0.89362462  0.36051407  0.61958763
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993911    0.403873    0.007393
    -0.000000    9.900076    0.101682
    -0.000000    0.000000   13.937953
   Si   O    H 
    32    64    10
Direct configuration=   803
   0.17386795  0.17182769 -0.02700958
   0.38432332  0.08325132  0.38161838
   0.13709819  0.40885491  0.11394551
   0.37821148  0.33579879  0.24497009
   0.12628530  0.15932463  0.49494402
   0.42337890  0.13492160  0.84819251
   0.11774567  0.40263537  0.61774387
   0.34752187  0.39125743  0.74874863
   0.11413706  0.66801721  0.00885104
   0.39401387  0.58710886  0.35852214
   0.05548881  0.90470986  0.13533486
   0.32214424  0.84531441  0.24956745
   0.16003819  0.66525425  0.49301175
   0.34781769  0.62866995  0.87130542
   0.06197839  0.91173155  0.61530972
   0.33891583  0.98514745  0.67730206
   0.63773575  0.15865989  1.01377799
   0.86701867  0.14643136  0.37091626
   0.60163989  0.42098394  0.11089317
   0.85991521  0.29230484  0.17675651
   0.61439575  0.18823117  0.51068675
   0.88304446  0.09448253  0.89553746
   0.56127800  0.45059710  0.61121645
   0.74754522  0.34184884  0.79535484
   0.60039838  0.67849724 -0.00860610
   0.91447146  0.61935810  0.37622376
   0.55880210  0.92598594  0.13496001
   0.81595686  0.87068256  0.25626828
   0.64141807  0.66437757  0.46462673
   0.85579998  0.59289778  0.88386052
   0.63547141  0.93564835  0.63374514
   0.83964720  0.84943923  0.76481558
   0.07828570  0.06773512  0.12582197
   0.36960800  0.18308853  0.28867911
   0.11757936  0.31686183  0.01774105
   0.35370522  0.42948256  0.33086275
   0.53050506  0.34534854  0.19847121
   0.28296916  0.36219971  0.15406592
   0.26040822  0.09035162  0.45485732
   0.01808184  0.16730358  0.39868028
   0.04740980  0.08006038  0.58319374
   0.44315433  0.25504386  0.76188811
   0.15291616  0.31036756  0.52596117
   0.36293134  0.47510725  0.84503538
   0.41515982  0.46790622  0.66075655
   0.19239107  0.35413159  0.71639435
   0.30174191  0.21791925 -0.09544570
   0.04004857  0.11023574  0.91537937
   0.10361365  0.56201410  0.10504247
   0.36572451  0.68812572  0.26508405
   0.09331620  0.81836430  0.04280116
   0.38065990  0.92445333  0.34423051
   0.40429034  0.89855318  0.15631811
   0.16528355  0.85462429  0.22266140
   0.31839836  0.63680692  0.45037143
   0.06294405  0.65598720  0.40229267
   0.14564027  0.55604690  0.57855309
   0.29140815  0.70418258  0.77831837
   0.11213836  0.81017496  0.53261970
   0.37126894  1.00947426  0.78729029
   0.47471640  0.89929246  0.63670232
   0.19518021  0.90635298  0.68587874
   0.26425606  0.64563981 -0.02847830
   0.00101307  0.62893357  0.93816721
   0.59038532  0.08033838  0.11274440
   0.82734941  0.23336163  0.28242964
   0.60283902  0.31506029  0.01578157
   0.92147776  0.45972731  0.34395737
   0.01861724  0.35598978  0.18733058
   0.76111047  0.41879732  0.14256450
   0.75757941  0.18730188  0.45191610
   0.51528238  0.12283229  0.43380020
   0.64094235  0.09182644  0.60833088
   0.83616011  0.19172787  0.80737995
   0.55242007  0.34034173  0.52804863
   0.85984128  0.43847334  0.84776799
   0.95576574  0.42677765  0.64083192
   0.68354529  0.38957798  0.68560437
   0.79018002  0.11585087  0.98941508
   0.54582242  0.10695105  0.92525879
   0.54503649  0.56474363  0.06540406
   0.86723085  0.71450684  0.28437422
   0.59864642  0.83056465  0.03995771
   0.85089936  0.99091716  0.33304208
   0.89138443  0.89311483  0.15549555
   0.64700673  0.87102093  0.23081283
   0.80673398  0.63107342  0.46412850
   0.55447484  0.60007037  0.37834447
   0.60077581  0.60094051  0.56814112
   0.84375876  0.68505243  0.78952564
   0.62358328  0.82864195  0.43146536
   0.87843404  0.93469503  0.85516932
   0.92980945  0.88069728  0.67059847
   0.69093075  0.92141321  0.74371339
   0.74514447  0.63383947  0.96368960
   0.50533504  0.68558832  0.89593271
   0.70410223  0.84072743  0.57504840
   0.59520322  0.86026540  0.36379547
   0.87285917  0.18871198  0.10368911
   0.99589025  0.43100397  0.30272268
   0.33069611  0.11697120  0.63086905
   0.22208364  0.78463508  0.78574608
   0.06440532  1.13516475  0.17332929
   0.22812929  1.06569214  0.03276557
   0.62222613  0.35101116  0.84873856
   0.88933441  0.36038903  0.61824372
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993658    0.405059    0.008406
    -0.000000    9.900067    0.102398
    -0.000000    0.000000   13.938916
   Si   O    H 
    32    64    10
Direct configuration=   804
   0.17320510  0.17306192 -0.02759410
   0.38247423  0.08325680  0.38280136
   0.13679586  0.40722939  0.11370951
   0.37846457  0.33460089  0.24489928
   0.12535666  0.15925257  0.49559058
   0.42290574  0.13556018  0.84886530
   0.11817365  0.40278604  0.61802977
   0.34797485  0.38953028  0.74794576
   0.11359310  0.66831664  0.00913960
   0.39484661  0.58756368  0.35848862
   0.05449707  0.90291018  0.13572283
   0.32129915  0.84594960  0.24976054
   0.16041703  0.66440035  0.49374601
   0.34757444  0.62783891  0.87203135
   0.06370514  0.91189723  0.61540747
   0.33849875  0.98526071  0.67759282
   0.63697642  0.15919856  1.01395262
   0.86662412  0.14453522  0.37073123
   0.60294791  0.41926846  0.11024590
   0.85936088  0.29309048  0.17664837
   0.61505845  0.18891784  0.51029817
   0.88369001  0.09329015  0.89650529
   0.56136571  0.44922670  0.61138982
   0.74929351  0.34225876  0.79597973
   0.60051093  0.67806504 -0.00841440
   0.91403808  0.61897895  0.37614693
   0.55907310  0.92602659  0.13539808
   0.81607238  0.87054119  0.25571818
   0.64049882  0.66322001  0.46378707
   0.85727237  0.59347690  0.88468670
   0.63446074  0.93483741  0.63442329
   0.83942096  0.85171048  0.76537299
   0.07727741  0.06694196  0.12493808
   0.37065889  0.18472112  0.28909089
   0.11651268  0.31774321  0.01703555
   0.35224194  0.43064185  0.33032840
   0.53150241  0.34465465  0.19937103
   0.28430628  0.36283013  0.15545217
   0.25887936  0.09022294  0.45535175
   0.01765699  0.16926898  0.39956684
   0.04835019  0.08104653  0.58255810
   0.44333920  0.25417883  0.76150839
   0.15308913  0.31017224  0.52573648
   0.36295380  0.47413651  0.84405262
   0.41286234  0.47094897  0.65877807
   0.19182588  0.35516483  0.71593719
   0.30314803  0.21761913 -0.09583859
   0.04067814  0.10950417  0.91541466
   0.10265625  0.56180597  0.10462021
   0.36684376  0.68865425  0.26369762
   0.09433907  0.81822688  0.04348014
   0.37856922  0.92507849  0.34464522
   0.40437151  0.89856689  0.15813541
   0.16380291  0.85457480  0.22188010
   0.31910365  0.63791998  0.45093923
   0.06252202  0.65614589  0.40283223
   0.14482364  0.55547485  0.57861735
   0.29029245  0.70538025  0.77907120
   0.11218363  0.81204878  0.53238646
   0.37193122  1.00863952  0.78676275
   0.47476729  0.89681206  0.63637956
   0.19646432  0.90474132  0.68558578
   0.26559534  0.64568304 -0.02876112
   0.00068269  0.62883970  0.93792763
   0.59132230  0.08154384  0.11243121
   0.82548788  0.23519951  0.28246209
   0.60235242  0.31517412  0.01505233
   0.92136004  0.45947732  0.34302411
   0.01840802  0.35569699  0.18788604
   0.76011572  0.41937523  0.14246238
   0.75612047  0.18927453  0.45384944
   0.51532955  0.12309806  0.43364235
   0.64107317  0.09199273  0.60738028
   0.83562928  0.18996803  0.80840720
   0.55274350  0.34046923  0.52806127
   0.86099143  0.43782299  0.84858469
   0.95379273  0.42854378  0.64126670
   0.68243411  0.39069828  0.68525699
   0.79040703  0.11793928  0.98975440
   0.54735622  0.10588701  0.92509907
   0.54628639  0.56501349  0.06569313
   0.86764461  0.71292834  0.28397646
   0.59921809  0.83049909  0.03840484
   0.84942144  0.99094999  0.33403141
   0.89314200  0.89251926  0.15563232
   0.64712288  0.87176425  0.23084278
   0.80537195  0.63081981  0.46440656
   0.55460909  0.60019980  0.37967010
   0.59912583  0.60005771  0.56862316
   0.84344866  0.68391806  0.79024068
   0.62485546  0.82831038  0.42937755
   0.87904588  0.93544149  0.85626740
   0.93060131  0.87860689  0.66965971
   0.68949643  0.92266696  0.74303326
   0.74505931  0.63331134  0.96323856
   0.50589723  0.68583020  0.89725033
   0.71058716  0.83601353  0.57530986
   0.60452254  0.85932707  0.37125458
   0.87540416  0.18884393  0.10261436
   0.99496219  0.43439471  0.30241485
   0.32979945  0.12108792  0.62927908
   0.22206746  0.78168224  0.78244458
   0.06049706  1.13818028  0.17716757
   0.22997185  1.05644617  0.03218566
   0.62250562  0.34278869  0.84938658
   0.88628612  0.35985861  0.61737006
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993548    0.405826    0.009819
    -0.000000    9.900276    0.102867
    -0.000000    0.000000   13.940167
   Si   O    H 
    32    64    10
Direct configuration=   805
   0.17223314  0.17394708 -0.02801006
   0.38002904  0.08338480  0.38406522
   0.13698750  0.40501994  0.11350352
   0.37962441  0.33372148  0.24426315
   0.12495925  0.15900433  0.49583571
   0.42234437  0.13623931  0.84933319
   0.11869559  0.40282164  0.61839518
   0.34865542  0.38777909  0.74678155
   0.11331402  0.66849817  0.00958093
   0.39621594  0.58789212  0.35838572
   0.05327978  0.90145935  0.13588437
   0.32066714  0.84637427  0.24969901
   0.16123363  0.66395378  0.49444204
   0.34721451  0.62689756  0.87263169
   0.06585019  0.91267214  0.61556669
   0.33817411  0.98528181  0.67721340
   0.63616659  0.15894736  1.01369676
   0.86586643  0.14259886  0.37062082
   0.60411506  0.41794729  0.11007334
   0.85898068  0.29388488  0.17640374
   0.61609046  0.18924237  0.51022968
   0.88478831  0.09202757  0.89761913
   0.56187793  0.44856856  0.61191632
   0.75092428  0.34284223  0.79620288
   0.60004126  0.67818013 -0.00844878
   0.91285123  0.61844010  0.37587093
   0.55951652  0.92570469  0.13605398
   0.81660691  0.87013884  0.25507180
   0.63982916  0.66235283  0.46317558
   0.85852046  0.59438332  0.88539841
   0.63334706  0.93379682  0.63527936
   0.83945661  0.85347949  0.76571598
   0.07606634  0.06663761  0.12431830
   0.37096424  0.18544193  0.28928360
   0.11586306  0.31837892  0.01698548
   0.35116348  0.43316326  0.32989047
   0.53251860  0.34443578  0.20082533
   0.28426209  0.36337970  0.15689741
   0.25737616  0.09012127  0.45585271
   0.01633617  0.17147850  0.40063248
   0.04920216  0.08185727  0.58192501
   0.44393378  0.25294967  0.76127434
   0.15345363  0.30931591  0.52495486
   0.36297167  0.47278477  0.84371315
   0.41019940  0.47423599  0.65749942
   0.19267425  0.35662766  0.71554760
   0.30455786  0.21664416 -0.09606150
   0.04208602  0.10857095  0.91587303
   0.10166712  0.56234700  0.10400652
   0.36755935  0.68891026  0.26286968
   0.09538083  0.81804983  0.04464809
   0.37648758  0.92562881  0.34473476
   0.40472063  0.89905179  0.15893069
   0.16219746  0.85518605  0.22088097
   0.31923182  0.64000093  0.45125344
   0.06303544  0.65574803  0.40324362
   0.14424795  0.55531092  0.57902001
   0.28902729  0.70619992  0.77936932
   0.11243641  0.81370249  0.53190727
   0.37295139  1.00890125  0.78639925
   0.47485421  0.89525547  0.63632396
   0.19746433  0.90378167  0.68555793
   0.26636986  0.64614532 -0.02902374
   0.00010351  0.62823851  0.93744552
   0.59289879  0.08254333  0.11239630
   0.82387844  0.23733406  0.28209899
   0.60188775  0.31597249  0.01534532
   0.92114423  0.45996465  0.34261827
   0.01813485  0.35488812  0.18783023
   0.76043987  0.42092196  0.14235892
   0.75466695  0.19217625  0.45568245
   0.51568967  0.12263383  0.43358206
   0.64125933  0.09214613  0.60643106
   0.83502631  0.18847861  0.80905541
   0.55331278  0.34016870  0.52752769
   0.86249322  0.43689527  0.84922214
   0.95259918  0.42935972  0.64175964
   0.68165555  0.39143797  0.68508543
   0.79003787  0.12018457  0.99028148
   0.54849563  0.10518967  0.92501551
   0.54784574  0.56447403  0.06666267
   0.86841764  0.71183641  0.28448032
   0.59976091  0.82986330  0.03762814
   0.84852768  0.99038391  0.33512891
   0.89504687  0.89142785  0.15514188
   0.64758399  0.87290866  0.23058490
   0.80469240  0.63013869  0.46430838
   0.55515016  0.59918303  0.38058401
   0.59867366  0.59913897  0.56890752
   0.84325095  0.68340580  0.79084697
   0.62568656  0.82707219  0.42923944
   0.87932062  0.93635543  0.85750528
   0.93099171  0.87698630  0.66903750
   0.68777590  0.92347200  0.74319318
   0.74559740  0.63342634  0.96252528
   0.50638096  0.68548805  0.89856691
   0.71314806  0.83296066  0.57742868
   0.60607313  0.86332064  0.36301667
   0.87712246  0.19118398  0.10443152
   0.99886922  0.43973370  0.30085216
   0.32451395  0.12322117  0.62844821
   0.22493553  0.77496141  0.77564251
   0.05491504  1.13595705  0.17923231
   0.23207938  1.05113950  0.02957714
   0.62860576  0.33151404  0.85006421
   0.89022072  0.36608414  0.61870648
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993586    0.406760    0.011048
    -0.000000    9.900780    0.103228
    -0.000000    0.000000   13.940869
   Si   O    H 
    32    64    10
Direct configuration=   806
   0.17116292  0.17429133 -0.02834824
   0.37790443  0.08337725  0.38514877
   0.13685992  0.40251114  0.11321692
   0.38135423  0.33278660  0.24387728
   0.12419490  0.15889867  0.49652917
   0.42182512  0.13622243  0.84972888
   0.11810175  0.40387709  0.61864136
   0.34988858  0.38537218  0.74541021
   0.11307777  0.66819326  0.01009604
   0.39788055  0.58874172  0.35761771
   0.05257885  0.90050505  0.13611987
   0.32013043  0.84707214  0.24973964
   0.16220752  0.66374130  0.49492437
   0.34765349  0.62638474  0.87307199
   0.06796305  0.91348497  0.61615989
   0.33767049  0.98513603  0.67689321
   0.63476913  0.15851947  1.01291827
   0.86521522  0.14105168  0.37050637
   0.60535731  0.41717137  0.10981540
   0.85905486  0.29566226  0.17624924
   0.61705445  0.18917020  0.51012477
   0.88563317  0.09095546  0.89847909
   0.56227123  0.44825684  0.61200356
   0.75313759  0.34349196  0.79636263
   0.59885780  0.67814357 -0.00887905
   0.91136677  0.61792165  0.37538908
   0.56076457  0.92500363  0.13678132
   0.81693755  0.86989122  0.25407872
   0.63984940  0.66138643  0.46246701
   0.85987018  0.59540622  0.88693620
   0.63244229  0.93232825  0.63605597
   0.83975744  0.85485593  0.76596197
   0.07480109  0.06650598  0.12381850
   0.37163413  0.18711634  0.28963166
   0.11519421  0.31822775  0.01675412
   0.34987530  0.43586899  0.32942147
   0.53359737  0.34462141  0.20196309
   0.28389994  0.36450427  0.15750552
   0.25568387  0.09022067  0.45635634
   0.01648921  0.17361814  0.40200269
   0.05076856  0.08296291  0.58122850
   0.44453978  0.25191539  0.76078530
   0.15492505  0.30909431  0.52439883
   0.36205526  0.47084994  0.84306673
   0.40825866  0.47748141  0.65595253
   0.19377956  0.35829163  0.71519055
   0.30549910  0.21565559 -0.09629921
   0.04385143  0.10794305  0.91631073
   0.10103413  0.56418845  0.10322889
   0.36753370  0.68922602  0.26219350
   0.09579667  0.81813801  0.04557542
   0.37532984  0.92614783  0.34481785
   0.40541290  0.89938854  0.15998722
   0.16051010  0.85540302  0.21992425
   0.31981561  0.64200599  0.45141740
   0.06372012  0.65568179  0.40369569
   0.14393423  0.55558782  0.58017060
   0.28928372  0.70573802  0.78006935
   0.11209650  0.81415372  0.53128538
   0.37415840  1.00920401  0.78687725
   0.47513654  0.89281922  0.63642402
   0.19837982  0.90262749  0.68554944
   0.26688235  0.64654159 -0.02860531
  -0.00062482  0.62828297  0.93703390
   0.59406857  0.08369840  0.11228192
   0.82218975  0.23901173  0.28116685
   0.60139057  0.31747702  0.01594368
   0.92032996  0.46122770  0.34246197
   0.01793045  0.35373275  0.18792673
   0.76104065  0.42221719  0.14213235
   0.75404252  0.19512836  0.45644228
   0.51540851  0.12253663  0.43390236
   0.64165395  0.09298951  0.60505391
   0.83342394  0.18780253  0.80951876
   0.55382930  0.33991292  0.52696059
   0.86340802  0.43550114  0.84978574
   0.95179652  0.43028091  0.64191979
   0.68105105  0.39203379  0.68529629
   0.79018178  0.12310049  0.99115080
   0.54884934  0.10461308  0.92472810
   0.54898680  0.56407135  0.06731525
   0.86902065  0.71159749  0.28496707
   0.60044118  0.82999780  0.03764996
   0.84697930  0.98923310  0.33618913
   0.89734123  0.89013650  0.15432532
   0.64792292  0.87413718  0.23089867
   0.80445214  0.62949804  0.46406271
   0.55550189  0.59775092  0.38140847
   0.59889263  0.59777969  0.56890897
   0.84322438  0.68360114  0.79083149
   0.62653636  0.82580358  0.42939964
   0.87956889  0.93653277  0.85946281
   0.93026977  0.87478289  0.66845798
   0.68592093  0.92407754  0.74340222
   0.74721280  0.63335208  0.96186660
   0.50653849  0.68417044  0.89918747
   0.71300970  0.83251738  0.58273493
   0.60346487  0.86293173  0.35644646
   0.87737684  0.19383302  0.10653241
   0.99798879  0.44185087  0.30193050
   0.31731225  0.12104350  0.62529978
   0.22012086  0.77595040  0.76790498
   0.04974399  1.12444634  0.17561916
   0.23025980  1.05105586  0.02210816
   0.63451636  0.32461462  0.84998618
   0.89190593  0.36772427  0.61932322
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993897    0.407553    0.011862
    -0.000000    9.901592    0.103754
    -0.000000    0.000000   13.941172
   Si   O    H 
    32    64    10
Direct configuration=   807
   0.17024731  0.17407542 -0.02873331
   0.37512776  0.08347624  0.38583809
   0.13660855  0.40029112  0.11279111
   0.38258716  0.33220504  0.24365485
   0.12308925  0.15908348  0.49706859
   0.42100482  0.13585955  0.84961621
   0.11719309  0.40551803  0.61807957
   0.35073873  0.38304507  0.74433880
   0.11320481  0.66764178  0.01019067
   0.39865045  0.58938709  0.35645736
   0.05237979  0.89916970  0.13656236
   0.31943404  0.84787473  0.24983421
   0.16331820  0.66438365  0.49509682
   0.34816071  0.62619822  0.87336742
   0.06956465  0.91476320  0.61670490
   0.33734715  0.98507825  0.67662659
   0.63341520  0.15834836  1.01225444
   0.86414160  0.13963658  0.37067540
   0.60643462  0.41614315  0.10935688
   0.85998704  0.29697814  0.17629301
   0.61716360  0.18896397  0.51022591
   0.88627198  0.09010930  0.89917496
   0.56229822  0.44802901  0.61268449
   0.75564705  0.34402680  0.79596318
   0.59762262  0.67774801 -0.00936712
   0.91025770  0.61745102  0.37523260
   0.56208095  0.92368396  0.13700127
   0.81696694  0.86928077  0.25304413
   0.64040236  0.66030960  0.46156477
   0.86098061  0.59623689  0.88824745
   0.63044026  0.93019865  0.63637049
   0.83958857  0.85607485  0.76633278
   0.07351007  0.06624838  0.12326196
   0.37250160  0.18849209  0.28980935
   0.11485046  0.31717692  0.01606382
   0.34877454  0.43838535  0.32878354
   0.53445853  0.34498222  0.20261521
   0.28275769  0.36553315  0.15823137
   0.25349567  0.09137093  0.45628752
   0.01700116  0.17561911  0.40314526
   0.05277026  0.08270525  0.58150428
   0.44485514  0.25124883  0.76009052
   0.15647596  0.30928331  0.52479776
   0.36208108  0.46896993  0.84257817
   0.40656973  0.47901958  0.65452376
   0.19600425  0.35867282  0.71558199
   0.30514831  0.21478376 -0.09665507
   0.04582062  0.10746799  0.91659622
   0.10044634  0.56630521  0.10296982
   0.36837729  0.68937130  0.26202768
   0.09602729  0.81854600  0.04639822
   0.37428741  0.92679645  0.34472450
   0.40549903  0.90011741  0.16079084
   0.15791448  0.85607618  0.21986462
   0.32070725  0.64370760  0.45205002
   0.06382413  0.65528584  0.40390031
   0.14362015  0.55655977  0.58083838
   0.29002232  0.70453726  0.77996079
   0.11197865  0.81450014  0.53036212
   0.37501395  1.01004589  0.78827044
   0.47543905  0.89108844  0.63633296
   0.19915090  0.90223584  0.68574538
   0.26730173  0.64723035 -0.02839855
  -0.00134435  0.62777572  0.93618340
   0.59391870  0.08496297  0.11152128
   0.82144128  0.24064580  0.28042675
   0.60100163  0.31876579  0.01698327
   0.92017195  0.46265191  0.34246745
   0.01698266  0.35242129  0.18789453
   0.76190922  0.42373128  0.14206724
   0.75350265  0.19785866  0.45647539
   0.51513985  0.12206756  0.43363511
   0.64151762  0.09372730  0.60339159
   0.83144605  0.18777080  0.80966231
   0.55413742  0.33954559  0.52713509
   0.86415729  0.43466494  0.85045246
   0.95180891  0.43047273  0.64197185
   0.68117154  0.39229097  0.68626568
   0.79057132  0.12539843  0.99193817
   0.54828028  0.10368210  0.92432636
   0.54964018  0.56343100  0.06885197
   0.86959549  0.71194339  0.28564655
   0.59983138  0.83133174  0.03823061
   0.84644205  0.98755268  0.33687290
   0.89884638  0.88890995  0.15393667
   0.64901249  0.87539657  0.23118692
   0.80420029  0.62904334  0.46403013
   0.55699602  0.59590596  0.38227929
   0.59877403  0.59765097  0.56918722
   0.84262977  0.68500658  0.79050967
   0.62750926  0.82493452  0.42870062
   0.87981715  0.93664891  0.86197331
   0.92955691  0.87242102  0.66801300
   0.68532452  0.92492035  0.74345316
   0.74961374  0.63315986  0.96153249
   0.50639500  0.68322042  0.89916861
   0.71352792  0.82923652  0.58857427
   0.60453311  0.85721765  0.35767069
   0.87475561  0.19745260  0.10785427
   0.99792839  0.44347227  0.30445015
   0.31336040  0.11121081  0.62250899
   0.21740550  0.77877666  0.76278725
   0.03989197  1.12037085  0.17498167
   0.22755927  1.05639120  0.01437640
   0.63654239  0.32087806  0.84927132
   0.88743441  0.36272744  0.61467669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993865    0.407769    0.011968
    -0.000000    9.902045    0.104035
    -0.000000    0.000000   13.941633
   Si   O    H 
    32    64    10
Direct configuration=   808
   0.16991197  0.17379855 -0.02927177
   0.37288297  0.08340030  0.38590639
   0.13565351  0.39816761  0.11277289
   0.38413878  0.33134472  0.24342968
   0.12146674  0.15928976  0.49779046
   0.42017017  0.13595437  0.84954157
   0.11607552  0.40714540  0.61788960
   0.35107655  0.38082694  0.74307376
   0.11334610  0.66749800  0.01003344
   0.39901332  0.59031399  0.35524327
   0.05230739  0.89831277  0.13749515
   0.31902898  0.84848677  0.24982873
   0.16459382  0.66524215  0.49515703
   0.34901524  0.62536544  0.87344627
   0.07093411  0.91646005  0.61712474
   0.33784229  0.98436869  0.67637553
   0.63154880  0.15829562  1.01145161
   0.86267287  0.13959214  0.37114936
   0.60761008  0.41498476  0.10898725
   0.86088112  0.29812339  0.17634034
   0.61721362  0.18862373  0.51050406
   0.88718933  0.08997290  0.89965598
   0.56180082  0.44814618  0.61346656
   0.75856081  0.34428387  0.79585761
   0.59601946  0.67717058 -0.00972324
   0.90911011  0.61722655  0.37482155
   0.56314885  0.92263830  0.13710226
   0.81672422  0.86831454  0.25214725
   0.64058999  0.65973669  0.46113746
   0.86186646  0.59676323  0.88930195
   0.62862116  0.92832032  0.63640264
   0.83900180  0.85686521  0.76694544
   0.07150904  0.06572881  0.12320154
   0.37261108  0.18824544  0.29056849
   0.11479500  0.31585631  0.01515717
   0.34845060  0.44059442  0.32848785
   0.53489634  0.34539631  0.20323181
   0.28149845  0.36732625  0.15877458
   0.25246218  0.09219889  0.45672545
   0.01815510  0.17752569  0.40404641
   0.05458857  0.08109257  0.58212289
   0.44550173  0.25025761  0.75993567
   0.15792165  0.31048828  0.52500583
   0.36168186  0.46732945  0.84175617
   0.40637560  0.48055486  0.65314251
   0.19830193  0.35912868  0.71616497
   0.30385057  0.21436189 -0.09687059
   0.04790829  0.10677552  0.91660544
   0.09986198  0.56866942  0.10208796
   0.36883611  0.68950859  0.26206466
   0.09600290  0.81941230  0.04653612
   0.37327032  0.92773674  0.34465995
   0.40549423  0.90078635  0.16120390
   0.15534351  0.85654202  0.21965843
   0.32134484  0.64440079  0.45290336
   0.06407458  0.65429312  0.40453161
   0.14377982  0.55782318  0.58126899
   0.29022111  0.70400622  0.77948056
   0.11193934  0.81500857  0.52935696
   0.37582958  1.01034644  0.78995666
   0.47477853  0.88981605  0.63605680
   0.20018456  0.90095432  0.68548234
   0.26686714  0.64757055 -0.02774938
  -0.00228141  0.62775709  0.93500435
   0.59349944  0.08535100  0.11131563
   0.82084614  0.24166582  0.28014579
   0.60140433  0.31885968  0.01812698
   0.92008379  0.46421912  0.34321415
   0.01625991  0.35159282  0.18746438
   0.76269531  0.42486656  0.14178503
   0.75393196  0.19974952  0.45557625
   0.51515561  0.12131070  0.43409942
   0.64130560  0.09414978  0.60208557
   0.82971099  0.18776234  0.80941469
   0.55401175  0.33973478  0.52740969
   0.86466545  0.43429127  0.85121069
   0.95174171  0.43030354  0.64194560
   0.68134748  0.39179594  0.68728853
   0.79121363  0.12693215  0.99251199
   0.54700619  0.10251930  0.92339194
   0.55053438  0.56227749  0.07037483
   0.87045396  0.71272289  0.28632880
   0.59902545  0.83217439  0.03896468
   0.84548098  0.98474669  0.33744821
   0.89936792  0.88742025  0.15349124
   0.65049677  0.87622203  0.23179659
   0.80381241  0.62915713  0.46443247
   0.55840891  0.59386901  0.38275961
   0.59915986  0.59743755  0.56908657
   0.84241482  0.68735291  0.78990478
   0.62840972  0.82459402  0.42785580
   0.87988130  0.93670211  0.86431743
   0.92958470  0.86947124  0.66692604
   0.68584574  0.92488273  0.74300591
   0.75109784  0.63297710  0.96142873
   0.50471681  0.68252681  0.89925922
   0.71603517  0.82348128  0.59247789
   0.60135346  0.84640723  0.36760673
   0.87020381  0.19986435  0.10697125
   1.00101533  0.44167925  0.30160452
   0.31147143  0.10170194  0.62150373
   0.22158558  0.77578349  0.75919728
   0.02878103  1.11741644  0.17719584
   0.22853952  1.06120358  0.00710346
   0.63616974  0.32056718  0.85049532
   0.88751802  0.36522590  0.61164395
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993577    0.407847    0.012168
    -0.000000    9.902406    0.104579
    -0.000000    0.000000   13.942572
   Si   O    H 
    32    64    10
Direct configuration=   809
   0.16996752  0.17339016 -0.02987243
   0.37098050  0.08346008  0.38583465
   0.13515404  0.39668566  0.11264970
   0.38548181  0.33067471  0.24319112
   0.11957788  0.15993827  0.49781749
   0.41957064  0.13615757  0.84932213
   0.11459636  0.40891237  0.61809585
   0.35057468  0.38009024  0.74212095
   0.11400774  0.66720743  0.01003354
   0.39918694  0.59082289  0.35437808
   0.05251071  0.89830251  0.13887228
   0.31891576  0.84899904  0.25009055
   0.16610387  0.66612086  0.49506399
   0.34979498  0.62471352  0.87303512
   0.07177312  0.91779383  0.61737896
   0.33925085  0.98357794  0.67618331
   0.63004566  0.15834639  1.01106341
   0.86148952  0.14035090  0.37164548
   0.60855134  0.41403996  0.10903036
   0.86155479  0.29917202  0.17646791
   0.61731725  0.18770180  0.51042612
   0.88816465  0.09041124  0.89969478
   0.56094346  0.44856803  0.61414129
   0.76094303  0.34439859  0.79554312
   0.59438060  0.67644007 -0.01002299
   0.90848343  0.61731477  0.37491966
   0.56372573  0.92215425  0.13687054
   0.81598259  0.86801154  0.25174689
   0.64088736  0.65972140  0.46070045
   0.86222522  0.59643799  0.88968200
   0.62705487  0.92614996  0.63615986
   0.83820835  0.85754867  0.76763829
   0.06995222  0.06474715  0.12349756
   0.37177173  0.18652423  0.29137120
   0.11461048  0.31437730  0.01448199
   0.34784746  0.44301611  0.32819434
   0.53523933  0.34577294  0.20346742
   0.27950555  0.36936273  0.15924232
   0.25268993  0.09231499  0.45713046
   0.01903794  0.17975805  0.40487191
   0.05584591  0.07935511  0.58274564
   0.44651070  0.24961476  0.75941480
   0.15897502  0.31286073  0.52556061
   0.36156193  0.46585927  0.84121033
   0.40551181  0.48095497  0.65235281
   0.19988106  0.35916046  0.71639089
   0.30187141  0.21423867 -0.09711195
   0.04898362  0.10683647  0.91676645
   0.09950129  0.56982482  0.10139104
   0.36960731  0.68926425  0.26241674
   0.09535973  0.81985909  0.04648763
   0.37287508  0.92813797  0.34492767
   0.40550899  0.90172960  0.16096565
   0.15300440  0.85619628  0.22019195
   0.32145658  0.64524926  0.45402795
   0.06413503  0.65287259  0.40479408
   0.14387895  0.55813465  0.58164675
   0.28994026  0.70386287  0.77917049
   0.11179996  0.81544067  0.52842483
   0.37656552  1.01093637  0.79106386
   0.47299906  0.88908481  0.63597088
   0.20074207  0.89980452  0.68535187
   0.26639645  0.64698953 -0.02692501
  -0.00270272  0.62784266  0.93362449
   0.59267215  0.08519370  0.11098763
   0.82117712  0.24270535  0.27997231
   0.60089825  0.31790063  0.01897803
   0.92029845  0.46491933  0.34396657
   0.01498343  0.35174617  0.18699841
   0.76305339  0.42645577  0.14145286
   0.75499848  0.20098965  0.45409846
   0.51372816  0.12031539  0.43376633
   0.64096363  0.09453521  0.60077020
   0.82833088  0.18812926  0.80965534
   0.55309340  0.34011648  0.52767704
   0.86539703  0.43453982  0.85195729
   0.95133944  0.42844271  0.64211466
   0.68116426  0.39123937  0.68835147
   0.79174396  0.12883258  0.99289724
   0.54524879  0.10182999  0.92234769
   0.55091498  0.56124899  0.07137023
   0.87224933  0.71425378  0.28659472
   0.59805852  0.83294661  0.03974392
   0.84453894  0.98140506  0.33770128
   0.89832040  0.88597406  0.15300076
   0.65221389  0.87685160  0.23191985
   0.80341504  0.62859491  0.46509867
   0.55890562  0.59056770  0.38258066
   0.59954236  0.59827096  0.56823309
   0.84255069  0.69013175  0.78926940
   0.62941855  0.82399540  0.42732815
   0.88012783  0.93631405  0.86671154
   0.92926702  0.86646114  0.66614647
   0.68640611  0.92522163  0.74272077
   0.75252466  0.63292263  0.96155119
   0.50236206  0.68263276  0.89921374
   0.71874999  0.81871692  0.59453985
   0.59363153  0.84213066  0.36558503
   0.87009780  0.19882535  0.10062172
   0.99466131  0.43901256  0.30054193
   0.30848504  0.09928129  0.62002751
   0.23036375  0.76832259  0.76044928
   0.02302273  1.11862372  0.17410472
   0.23377374  1.05757164  0.00716657
   0.63258697  0.32361142  0.85003857
   0.89312590  0.36908517  0.61255169
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993642    0.407529    0.012168
    -0.000000    9.902526    0.105087
    -0.000000    0.000000   13.943446
   Si   O    H 
    32    64    10
Direct configuration=   810
   0.16988168  0.17271658 -0.03041529
   0.36981953  0.08390652  0.38541295
   0.13432983  0.39583916  0.11255804
   0.38643552  0.33014366  0.24314377
   0.11780267  0.16088957  0.49746381
   0.41888555  0.13713756  0.84924860
   0.11253240  0.41015373  0.61804107
   0.35053210  0.37943861  0.74095754
   0.11500701  0.66692615  0.01028085
   0.39899974  0.59137333  0.35382003
   0.05278361  0.89892300  0.13948697
   0.31891989  0.84980431  0.25030984
   0.16683977  0.66650819  0.49490544
   0.35007142  0.62435844  0.87252653
   0.07231113  0.91882207  0.61779316
   0.34022367  0.98254974  0.67583450
   0.62940498  0.15884011  1.01040335
   0.86013231  0.14066851  0.37191092
   0.60956743  0.41379582  0.10925257
   0.86155823  0.29991898  0.17625954
   0.61731480  0.18647860  0.51015555
   0.88929510  0.09109181  0.89990652
   0.55976421  0.44901112  0.61413358
   0.76296591  0.34468895  0.79522576
   0.59325521  0.67610050 -0.01000291
   0.90813903  0.61797530  0.37511944
   0.56495906  0.92221390  0.13681233
   0.81583313  0.86744725  0.25137901
   0.64127069  0.65994705  0.46050670
   0.86232498  0.59648026  0.88961723
   0.62630432  0.92364546  0.63572090
   0.83767232  0.85799786  0.76849669
   0.06889100  0.06428641  0.12420499
   0.37142623  0.18426859  0.29210292
   0.11411621  0.31284953  0.01406704
   0.34784205  0.44531459  0.32783208
   0.53465287  0.34704828  0.20342045
   0.27674632  0.37154162  0.15933605
   0.25234059  0.09210817  0.45739399
   0.01958744  0.18108586  0.40569391
   0.05697267  0.07776898  0.58381665
   0.44762111  0.24848201  0.75933639
   0.15988256  0.31576704  0.52605305
   0.36164637  0.46530247  0.84108159
   0.40462376  0.48102875  0.65195504
   0.19949556  0.35982136  0.71615672
   0.29998652  0.21429429 -0.09697601
   0.04935976  0.10726438  0.91682164
   0.09955722  0.57084834  0.10031277
   0.37081484  0.68950140  0.26308852
   0.09446331  0.82062273  0.04609336
   0.37213402  0.92873723  0.34521723
   0.40595993  0.90349934  0.16038363
   0.15221434  0.85635482  0.22153758
   0.32039858  0.64552138  0.45510326
   0.06381438  0.65163296  0.40552151
   0.14443394  0.55858316  0.58256357
   0.29027954  0.70332999  0.77908260
   0.11157304  0.81576726  0.52816911
   0.37668830  1.01071432  0.79173637
   0.47042789  0.88833374  0.63530766
   0.20151434  0.89911096  0.68526397
   0.26561963  0.64630631 -0.02626357
  -0.00306670  0.62863509  0.93200522
   0.59237038  0.08470306  0.11050555
   0.82106482  0.24366908  0.28030473
   0.59994033  0.31711735  0.02033571
   0.92076842  0.46544532  0.34453750
   0.01432393  0.35156406  0.18615693
   0.76316148  0.42786732  0.14100969
   0.75680093  0.20224854  0.45243570
   0.51165267  0.12032701  0.43421156
   0.64073536  0.09479231  0.59991414
   0.82754503  0.18856455  0.81004230
   0.55252941  0.34086343  0.52826502
   0.86574146  0.43526193  0.85284497
   0.95144979  0.42687547  0.64255521
   0.68061574  0.39101311  0.68940476
   0.79209141  0.13041983  0.99306905
   0.54376521  0.10212214  0.92107081
   0.55101232  0.56079285  0.07228927
   0.87439385  0.71611979  0.28712756
   0.59657252  0.83432427  0.04076693
   0.84393696  0.97811092  0.33698846
   0.89623716  0.88541611  0.15243010
   0.65399644  0.87737068  0.23206321
   0.80314041  0.62829268  0.46531436
   0.55863074  0.58654525  0.38126889
   0.59872073  0.59912553  0.56739347
   0.84244879  0.69274500  0.78880641
   0.62970126  0.82282233  0.42738770
   0.87997749  0.93637398  0.86870037
   0.92906890  0.86349297  0.66508711
   0.68737147  0.92406863  0.74276234
   0.75311959  0.63331495  0.96202307
   0.49851002  0.68256775  0.89883051
   0.71952042  0.81855286  0.59308463
   0.58061169  0.84215413  0.35863396
   0.86869940  0.20020503  0.09745881
   0.98899647  0.43360787  0.30054485
   0.30676701  0.10199232  0.61560751
   0.22708987  0.77281680  0.75808171
   0.02074554  1.11938245  0.16631686
   0.24196025  1.04939140  0.01060583
   0.63165145  0.32672218  0.84848407
   0.89602499  0.36423647  0.60938833
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994050    0.407216    0.012037
    -0.000000    9.902412    0.105817
    -0.000000    0.000000   13.944121
   Si   O    H 
    32    64    10
Direct configuration=   811
   0.16981824  0.17227715 -0.03069387
   0.36912859  0.08494046  0.38532347
   0.13321980  0.39584739  0.11232928
   0.38719465  0.32963342  0.24337971
   0.11606257  0.16146923  0.49718273
   0.41791132  0.13863322  0.84886098
   0.11012771  0.41143740  0.61790822
   0.35083986  0.37869763  0.74000124
   0.11527931  0.66649101  0.01043871
   0.39907820  0.59203637  0.35345728
   0.05231187  0.89961475  0.13947795
   0.31908751  0.85021724  0.25048806
   0.16762185  0.66640431  0.49469694
   0.35008447  0.62419447  0.87196767
   0.07252008  0.91930281  0.61781926
   0.34172529  0.98208990  0.67570418
   0.62901483  0.15911005  1.00930300
   0.85924431  0.14106582  0.37254437
   0.61075878  0.41394548  0.10930510
   0.86145393  0.30056050  0.17602125
   0.61704679  0.18589342  0.50974237
   0.89056344  0.09174426  0.90020747
   0.55856479  0.44980909  0.61423809
   0.76421537  0.34489153  0.79468813
   0.59233644  0.67518428 -0.01009796
   0.90863104  0.61904827  0.37620546
   0.56576720  0.92298746  0.13689777
   0.81601729  0.86724195  0.25128502
   0.64120087  0.65982703  0.46038290
   0.86225155  0.59681848  0.88936078
   0.62553780  0.92164896  0.63508185
   0.83782577  0.85842975  0.76935588
   0.06771942  0.06354225  0.12428075
   0.37143885  0.18224488  0.29277294
   0.11475836  0.31214434  0.01325166
   0.34775752  0.44709217  0.32740315
   0.53425921  0.34833577  0.20312863
   0.27454014  0.37392765  0.15959688
   0.25122362  0.09171649  0.45745850
   0.01924382  0.18158336  0.40609438
   0.05757570  0.07566571  0.58511137
   0.44882101  0.24669491  0.75927920
   0.16118638  0.31841968  0.52724556
   0.36216050  0.46463134  0.84096797
   0.40415621  0.48101454  0.65198802
   0.19798166  0.36141599  0.71467156
   0.29730231  0.21356060 -0.09697084
   0.04961165  0.10754943  0.91665921
   0.09918348  0.57101921  0.09928738
   0.37322807  0.68947252  0.26425058
   0.09359905  0.82159300  0.04505846
   0.37050768  0.92976425  0.34481274
   0.40690302  0.90591887  0.15946120
   0.15203306  0.85651962  0.22331719
   0.31914130  0.64551767  0.45589186
   0.06333104  0.65062606  0.40652061
   0.14468010  0.55889446  0.58287115
   0.29086340  0.70243327  0.77947158
   0.11096545  0.81596801  0.52751617
   0.37668984  1.01021764  0.79147961
   0.46758337  0.88839999  0.63465982
   0.20244198  0.89876782  0.68531608
   0.26565025  0.64509743 -0.02604832
  -0.00204450  0.62956484  0.93127253
   0.59210596  0.08379947  0.10967782
   0.82101316  0.24399428  0.28001018
   0.59871477  0.31629156  0.02127315
   0.92160935  0.46561582  0.34480474
   0.01488103  0.35093565  0.18520302
   0.76296131  0.42897164  0.14108761
   0.75759453  0.20354852  0.45107050
   0.50962857  0.11945504  0.43434889
   0.64054059  0.09394816  0.59946552
   0.82698114  0.18907257  0.81052061
   0.55263747  0.34105428  0.52820819
   0.86663337  0.43640894  0.85427553
   0.95086205  0.42499728  0.64332934
   0.68037474  0.39189219  0.69029393
   0.79270516  0.13205583  0.99255695
   0.54256946  0.10222618  0.92007582
   0.55147346  0.56067634  0.07251834
   0.87600619  0.71746989  0.28733839
   0.59482083  0.83527897  0.04110140
   0.84311046  0.97536014  0.33643064
   0.89437639  0.88476539  0.15161347
   0.65550669  0.87812848  0.23212502
   0.80313362  0.62787464  0.46555495
   0.55814073  0.58231106  0.37985829
   0.59729356  0.59914147  0.56628193
   0.84204972  0.69403027  0.78816326
   0.62950255  0.82198291  0.42678716
   0.88062128  0.93554122  0.87026779
   0.92925481  0.86151078  0.66429166
   0.68814631  0.92258276  0.74319649
   0.75306123  0.63446628  0.96321557
   0.49478619  0.68316619  0.89876164
   0.71595550  0.82442307  0.58933357
   0.58001572  0.83790960  0.35926196
   0.86984845  0.20536237  0.09784964
   0.98352008  0.42931694  0.30116307
   0.30604412  0.10427014  0.61477649
   0.22075418  0.77843807  0.75641709
   0.01348977  1.12800986  0.16353385
   0.24749455  1.04516942  0.01550201
   0.63351212  0.33198370  0.84692831
   0.89482251  0.35847754  0.60702554
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994838    0.406799    0.011759
    -0.000000    9.902269    0.106264
    -0.000000    0.000000   13.945320
   Si   O    H 
    32    64    10
Direct configuration=   812
   0.17024854  0.17141728 -0.03077954
   0.36893575  0.08606819  0.38539472
   0.13155767  0.39619107  0.11175728
   0.38759571  0.32922784  0.24400101
   0.11458080  0.16181913  0.49716383
   0.41697703  0.13987398  0.84819308
   0.10804320  0.41248486  0.61798218
   0.35183982  0.37847162  0.73906084
   0.11523107  0.66659207  0.01045731
   0.39845771  0.59285400  0.35358607
   0.05189006  0.90036095  0.14004116
   0.31893562  0.85079159  0.25073944
   0.16756796  0.66676447  0.49460818
   0.34932997  0.62388925  0.87153978
   0.07217078  0.91911283  0.61746157
   0.34312946  0.98213150  0.67539781
   0.62829191  0.15871514  1.00853690
   0.85898071  0.14131315  0.37307962
   0.61148620  0.41430790  0.10955532
   0.86118076  0.30128861  0.17608163
   0.61619967  0.18497796  0.50878553
   0.89168924  0.09262663  0.90079239
   0.55744170  0.45094633  0.61458151
   0.76484249  0.34527164  0.79374752
   0.59094383  0.67492150 -0.01018576
   0.90914850  0.61983285  0.37700746
   0.56642337  0.92415098  0.13699469
   0.81670505  0.86625791  0.25158338
   0.64086715  0.65961959  0.46026430
   0.86210688  0.59644045  0.88886626
   0.62507593  0.91991847  0.63434866
   0.83823739  0.85860549  0.77007002
   0.06591475  0.06314002  0.12461777
   0.37136435  0.17965221  0.29349001
   0.11551655  0.31188250  0.01320169
   0.34764922  0.44890237  0.32704413
   0.53418781  0.34933923  0.20327148
   0.27401253  0.37609992  0.15964008
   0.24971497  0.09304854  0.45831540
   0.01749397  0.18201516  0.40616951
   0.05795582  0.07387214  0.58651679
   0.44972243  0.24540426  0.75904640
   0.16260516  0.32053687  0.52788918
   0.36298661  0.46403164  0.84101825
   0.40402387  0.48082012  0.65242464
   0.19621994  0.36282803  0.71321647
   0.29476964  0.21285309 -0.09681455
   0.04884158  0.10770018  0.91605730
   0.09836567  0.57000930  0.09853142
   0.37650325  0.69006875  0.26446527
   0.09262749  0.82115517  0.04375350
   0.36951686  0.93102726  0.34449371
   0.40850098  0.90789468  0.15919132
   0.15241313  0.85712101  0.22521470
   0.31799873  0.64515477  0.45676072
   0.06341918  0.65069043  0.40795346
   0.14504739  0.55950892  0.58315976
   0.29148597  0.70187592  0.77952457
   0.11082400  0.81673495  0.52698093
   0.37660975  1.00875549  0.79081989
   0.46455979  0.88897744  0.63404173
   0.20340845  0.89797359  0.68505247
   0.26619495  0.64407668 -0.02610817
  -0.00090492  0.63061117  0.93085715
   0.59235944  0.08320132  0.10877892
   0.82133765  0.24453827  0.27969294
   0.59723639  0.31446183  0.02216918
   0.92150369  0.46566793  0.34564168
   0.01516691  0.34987325  0.18416169
   0.76309576  0.43004414  0.14169364
   0.75802589  0.20411211  0.45043751
   0.50839567  0.11885723  0.43483795
   0.64032126  0.09250472  0.59876160
   0.82647163  0.18997982  0.81070362
   0.55375038  0.34133346  0.52860688
   0.86754400  0.43719784  0.85536904
   0.94922481  0.42267422  0.64389848
   0.67954753  0.39262471  0.69130974
   0.79290758  0.13315735  0.99195358
   0.54148250  0.10324890  0.91944167
   0.55185310  0.56129196  0.07292177
   0.87603835  0.71912622  0.28768308
   0.59392267  0.83571121  0.04116988
   0.84310972  0.97308481  0.33624879
   0.89253562  0.88403625  0.15089224
   0.65642464  0.87934249  0.23214762
   0.80295036  0.62720210  0.46543921
   0.55864258  0.57737572  0.37849491
   0.59561957  0.59919443  0.56481902
   0.84151868  0.69491209  0.78819074
   0.62883798  0.82141741  0.42604834
   0.88106259  0.93447609  0.87162253
   0.92918679  0.86039655  0.66383461
   0.68896461  0.92105432  0.74412442
   0.75201577  0.63560562  0.96455384
   0.49178900  0.68328788  0.89858832
   0.71190986  0.83204242  0.58258194
   0.58464073  0.83579661  0.37034468
   0.86931327  0.20730380  0.09867607
   0.98601918  0.41947649  0.29718505
   0.31077384  0.10083083  0.61703216
   0.22183000  0.77959909  0.75572023
   0.00883073  1.13293012  0.15927575
   0.24968937  1.04698001  0.02099563
   0.63558352  0.33677082  0.84755520
   0.89896408  0.35754498  0.60660124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.995276    0.406290    0.011795
    -0.000000    9.902179    0.107234
    -0.000000    0.000000   13.946471
   Si   O    H 
    32    64    10
Direct configuration=   813
   0.17091894  0.17053158 -0.03095981
   0.36923140  0.08764258  0.38523034
   0.12999822  0.39696100  0.11148557
   0.38716951  0.32907909  0.24461160
   0.11344316  0.16269625  0.49716380
   0.41626257  0.14093501  0.84750923
   0.10626717  0.41324761  0.61805235
   0.35276603  0.37859666  0.73837749
   0.11527394  0.66692871  0.01001715
   0.39856257  0.59397052  0.35419168
   0.05146701  0.90165301  0.14051080
   0.31879019  0.85090500  0.25106672
   0.16753960  0.66747226  0.49447714
   0.34800322  0.62385592  0.87109214
   0.07150086  0.91891883  0.61688354
   0.34485885  0.98166111  0.67546771
   0.62849792  0.15797006  1.00708913
   0.85870246  0.14168335  0.37375777
   0.61244196  0.41526512  0.10994113
   0.86132955  0.30166884  0.17591050
   0.61576885  0.18412853  0.50827127
   0.89246592  0.09360973  0.90138352
   0.55611094  0.45265136  0.61457756
   0.76534871  0.34551667  0.79308065
   0.58999911  0.67492445 -0.01025935
   0.90997764  0.62069655  0.37779332
   0.56625245  0.92491348  0.13712308
   0.81747102  0.86544884  0.25138832
   0.64067364  0.65905184  0.46023638
   0.86199023  0.59633861  0.88796673
   0.62447508  0.91895459  0.63388757
   0.83848351  0.85871529  0.77053102
   0.06402636  0.06310684  0.12524895
   0.37091524  0.17809788  0.29392981
   0.11568802  0.31283572  0.01351639
   0.34819216  0.44945537  0.32621105
   0.53407099  0.35051796  0.20299205
   0.27421915  0.37741802  0.15944455
   0.24875249  0.09391434  0.45899641
   0.01585428  0.18234613  0.40610218
   0.05768079  0.07276028  0.58777509
   0.44962431  0.24408208  0.75805778
   0.16353287  0.32235394  0.52808880
   0.36319804  0.46364192  0.84075876
   0.40402886  0.48002577  0.65256987
   0.19470695  0.36390019  0.71188995
   0.29269871  0.21286935 -0.09745491
   0.04759363  0.10749265  0.91562210
   0.09774813  0.56848172  0.09836771
   0.37858624  0.69080787  0.26446159
   0.09158828  0.82144199  0.04250040
   0.36830384  0.93205128  0.34367705
   0.40960436  0.90969218  0.15957895
   0.15337390  0.85827507  0.22729357
   0.31658617  0.64480043  0.45739123
   0.06297258  0.65045032  0.40980309
   0.14608029  0.56162132  0.58352600
   0.29082527  0.70133678  0.77928030
   0.11043435  0.81691885  0.52669641
   0.37589453  1.00848554  0.78993092
   0.46200214  0.88997733  0.63422917
   0.20500053  0.89735837  0.68457573
   0.26724133  0.64253431 -0.02636098
   0.00111369  0.63223796  0.93079348
   0.59263417  0.08236143  0.10775112
   0.82147154  0.24588458  0.27980917
   0.59531018  0.31312024  0.02307457
   0.92170411  0.46534350  0.34573442
   0.01488439  0.34925713  0.18348531
   0.76321340  0.43099397  0.14212230
   0.75841311  0.20465107  0.44971267
   0.50764391  0.11802952  0.43486776
   0.64091823  0.09051582  0.59860015
   0.82742578  0.19091619  0.81053505
   0.55504044  0.34094750  0.52864806
   0.86831741  0.43828868  0.85648003
   0.94842623  0.42135802  0.64472952
   0.67928629  0.39336003  0.69233661
   0.79339744  0.13388336  0.99089828
   0.54017664  0.10401464  0.91904001
   0.55234514  0.56247442  0.07275588
   0.87522302  0.72060945  0.28803693
   0.59247557  0.83584783  0.04104787
   0.84382805  0.97231149  0.33709432
   0.89123560  0.88290220  0.15065752
   0.65799259  0.88089881  0.23257131
   0.80247784  0.62683934  0.46524113
   0.55806648  0.57357512  0.37744680
   0.59417147  0.59928445  0.56435861
   0.84053259  0.69553320  0.78866135
   0.62815760  0.82013536  0.42594558
   0.88106155  0.93417548  0.87257542
   0.92975348  0.86033842  0.66291762
   0.68969472  0.91977354  0.74510972
   0.74973879  0.63642836  0.96566865
   0.48954364  0.68305674  0.89881428
   0.70992882  0.83428095  0.57591271
   0.58042961  0.83925413  0.36895984
   0.86703323  0.20991545  0.10123777
   0.98588678  0.41492885  0.29815674
   0.31818561  0.09905000  0.62329188
   0.22986622  0.77332795  0.75779928
   0.00849727  1.12935423  0.15240473
   0.24649713  1.05613065  0.02527029
   0.63867056  0.34241154  0.85062037
   0.89941123  0.35747636  0.60753969
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.995558    0.406167    0.012036
    -0.000000    9.901771    0.107997
    -0.000000    0.000000   13.947293
   Si   O    H 
    32    64    10
Direct configuration=   814
   0.17103596  0.16933916 -0.03074950
   0.36946373  0.08941487  0.38534591
   0.12892551  0.39787316  0.11142989
   0.38663232  0.32870615  0.24535991
   0.11257086  0.16383211  0.49674916
   0.41610334  0.14213893  0.84709749
   0.10491951  0.41419022  0.61829460
   0.35325172  0.37888074  0.73788776
   0.11548045  0.66737933  0.00927021
   0.39850489  0.59465045  0.35470529
   0.05139713  0.90269234  0.14074073
   0.31836209  0.85021238  0.25112932
   0.16706641  0.66819897  0.49474925
   0.34670568  0.62290263  0.87024607
   0.07003540  0.91754766  0.61651780
   0.34615846  0.98133302  0.67579687
   0.62848978  0.15766076  1.00572032
   0.85849124  0.14205472  0.37409201
   0.61310789  0.41645963  0.11068468
   0.86128102  0.30191529  0.17597499
   0.61483867  0.18378330  0.50756856
   0.89242017  0.09443020  0.90167379
   0.55511193  0.45405189  0.61459310
   0.76594933  0.34561096  0.79246532
   0.58965482  0.67546212 -0.01021182
   0.91020441  0.62157039  0.37880931
   0.56576055  0.92567897  0.13701608
   0.81786802  0.86487711  0.25154508
   0.64068240  0.65826006  0.46043478
   0.86245474  0.59569984  0.88744426
   0.62403608  0.91876037  0.63389453
   0.83907922  0.85847605  0.77059696
   0.06360987  0.06232241  0.12568035
   0.37042671  0.17795580  0.29379837
   0.11565119  0.31354296  0.01388398
   0.34996275  0.44969146  0.32507403
   0.53405248  0.35140122  0.20266158
   0.27552541  0.37762594  0.15927645
   0.24646527  0.09473603  0.45975423
   0.01363448  0.18269245  0.40618465
   0.05727685  0.07242297  0.58868742
   0.44940739  0.24357215  0.75692385
   0.16414063  0.32265975  0.52766697
   0.36350335  0.46318083  0.84065229
   0.40409478  0.47931587  0.65261718
   0.19330457  0.36519258  0.71060540
   0.29126303  0.21295595 -0.09849044
   0.04642317  0.10725243  0.91514178
   0.09718482  0.56579486  0.09880549
   0.38006477  0.69144187  0.26400154
   0.09103037  0.82246162  0.04120864
   0.36713490  0.93303192  0.34266795
   0.41052458  0.91115092  0.16071793
   0.15434447  0.85929194  0.22963218
   0.31591104  0.64452548  0.45758803
   0.06219025  0.65084496  0.41146430
   0.14707298  0.56325350  0.58359009
   0.29053149  0.70019032  0.77910378
   0.10910229  0.81819744  0.52646128
   0.37535935  1.00865046  0.78878938
   0.46131537  0.89032131  0.63373667
   0.20616439  0.89761719  0.68351656
   0.26785420  0.64135464 -0.02721002
   0.00329563  0.63345848  0.93117354
   0.59328429  0.08220365  0.10674247
   0.82089872  0.24666807  0.28027749
   0.59317992  0.31169494  0.02411816
   0.92199946  0.46544804  0.34575501
   0.01478860  0.34979413  0.18320953
   0.76343922  0.43215882  0.14316255
   0.75877241  0.20489218  0.45009684
   0.50709733  0.11642192  0.43555173
   0.64139831  0.08753216  0.59808973
   0.82833142  0.19161999  0.81000336
   0.55610203  0.33977566  0.52906146
   0.86879107  0.43980935  0.85735909
   0.94775152  0.42050681  0.64522866
   0.67943640  0.39321454  0.69340646
   0.79356217  0.13491899  0.98937007
   0.53899713  0.10516331  0.91926495
   0.55286536  0.56288631  0.07256047
   0.87442738  0.72145764  0.28857951
   0.59104512  0.83478223  0.04032687
   0.84504090  0.97268809  0.33760491
   0.89021062  0.88160500  0.15120924
   0.65884986  0.88106623  0.23234159
   0.80170430  0.62699320  0.46507200
   0.55766611  0.57093726  0.37694066
   0.59271083  0.59920968  0.56505585
   0.83868479  0.69657062  0.78937011
   0.62819915  0.81938549  0.42645611
   0.88074468  0.93300873  0.87315220
   0.93050313  0.86092464  0.66233477
   0.69019531  0.91877853  0.74576099
   0.74657670  0.63732002  0.96637066
   0.48888574  0.68303845  0.89950441
   0.71012390  0.83241156  0.56918955
   0.57088761  0.84407490  0.36679387
   0.86186191  0.20544723  0.09899793
   0.97689325  0.41699369  0.30621150
   0.32636177  0.10199258  0.62986080
   0.23847678  0.76876377  0.75989608
   0.00359237  1.13372015  0.14855517
   0.24418181  1.06888949  0.02800716
   0.64071720  0.35208283  0.85193914
   0.89800134  0.35604849  0.60757166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.995963    0.405689    0.012299
    -0.000000    9.901158    0.108759
    -0.000000    0.000000   13.948025
   Si   O    H 
    32    64    10
Direct configuration=   815
   0.17096836  0.16792195 -0.03005461
   0.36975609  0.09067487  0.38585067
   0.12812607  0.39840901  0.11155574
   0.38612544  0.32942611  0.24581157
   0.11175903  0.16518664  0.49662951
   0.41601254  0.14345786  0.84645367
   0.10394650  0.41588918  0.61812526
   0.35355924  0.37991666  0.73785775
   0.11582101  0.66813595  0.00845925
   0.39879357  0.59490042  0.35536984
   0.05139295  0.90356596  0.14083701
   0.31894535  0.84993258  0.25070547
   0.16673673  0.66863900  0.49530753
   0.34537212  0.62214955  0.86987257
   0.06830824  0.91541654  0.61631466
   0.34679750  0.98062638  0.67633429
   0.62847071  0.15720460  1.00432891
   0.85854110  0.14218622  0.37409726
   0.61294805  0.41826159  0.11136375
   0.86090210  0.30206242  0.17626653
   0.61432586  0.18367741  0.50679608
   0.89204009  0.09529477  0.90230931
   0.55424437  0.45493619  0.61455932
   0.76577027  0.34549444  0.79225243
   0.58904956  0.67689068 -0.00979300
   0.91050906  0.62214098  0.38009007
   0.56576317  0.92630835  0.13668744
   0.81824669  0.86423562  0.25202407
   0.64034543  0.65765366  0.46073647
   0.86243408  0.59544061  0.88734025
   0.62383134  0.91907884  0.63317100
   0.83954315  0.85839694  0.77105808
   0.06373463  0.06114852  0.12645336
   0.36918687  0.17791149  0.29252113
   0.11610002  0.31440886  0.01479495
   0.34998399  0.44959945  0.32373729
   0.53419308  0.35146017  0.20277551
   0.27660702  0.37739912  0.15890975
   0.24495375  0.09482522  0.46033508
   0.01087366  0.18202871  0.40650089
   0.05695865  0.07292046  0.58990487
   0.44916660  0.24333888  0.75544518
   0.16391508  0.32165713  0.52731386
   0.36454066  0.46242154  0.84067687
   0.40453913  0.47815452  0.65252725
   0.19263103  0.36613409  0.70951490
   0.29031360  0.21352013 -0.09966103
   0.04552555  0.10786631  0.91474099
   0.09685007  0.56299293  0.09947787
   0.38108558  0.69290978  0.26365778
   0.09072608  0.82384739  0.04031654
   0.36588296  0.93410993  0.34155918
   0.41139791  0.91212375  0.16125682
   0.15535630  0.86066936  0.23190144
   0.31674358  0.64426327  0.45742507
   0.06039983  0.65207844  0.41294208
   0.14748402  0.56455847  0.58343220
   0.29092026  0.69780360  0.77900256
   0.10774504  0.82016372  0.52676134
   0.37501453  1.00871690  0.78747220
   0.46091494  0.89047828  0.63361632
   0.20775311  0.89864394  0.68208165
   0.26825096  0.64056142 -0.02837105
   0.00553898  0.63454320  0.93135994
   0.59391868  0.08219664  0.10516999
   0.82081482  0.24734046  0.28056846
   0.59065582  0.31123913  0.02474434
   0.92117494  0.46690964  0.34579981
   0.01524005  0.35009656  0.18324402
   0.76321404  0.43344410  0.14415454
   0.75975340  0.20529191  0.45090954
   0.50697831  0.11467482  0.43624779
   0.64164675  0.08427741  0.59733002
   0.82960052  0.19201440  0.80964888
   0.55684502  0.33881539  0.53022045
   0.86886522  0.44111555  0.85751530
   0.94756568  0.41989512  0.64573468
   0.67951722  0.39235946  0.69394956
   0.79273462  0.13533018  0.98748574
   0.53763255  0.10711926  0.91885885
   0.55347814  0.56297673  0.07263113
   0.87254547  0.72153882  0.28912982
   0.59020967  0.83379263  0.03952779
   0.84691452  0.97379887  0.33816078
   0.88942318  0.88023688  0.15200304
   0.65910332  0.88175542  0.23205595
   0.80011791  0.62681263  0.46479098
   0.55769366  0.56863122  0.37635161
   0.59082549  0.59915217  0.56570299
   0.83716592  0.69741802  0.79040755
   0.62777623  0.81849199  0.42721266
   0.88066204  0.93149002  0.87348611
   0.93182093  0.86097277  0.66196905
   0.69013398  0.91832322  0.74544563
   0.74313723  0.63818670  0.96714808
   0.48872337  0.68370646  0.90005546
   0.71212636  0.83041063  0.56427015
   0.56776715  0.84868281  0.37128686
   0.85683222  0.20058760  0.09633957
   0.97696340  0.41220303  0.31001600
   0.33550347  0.11113265  0.63252698
   0.23538040  0.77795157  0.75755273
   0.00129839  1.13270343  0.14435568
   0.24098435  1.08077860  0.03181398
   0.64582613  0.36108805  0.85180120
   0.89193830  0.35825688  0.60639140
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.996546    0.405851    0.012463
    -0.000000    9.900868    0.109677
    -0.000000    0.000000   13.948665
   Si   O    H 
    32    64    10
Direct configuration=   816
   0.17069307  0.16699487 -0.02955938
   0.37027369  0.09179993  0.38647939
   0.12767647  0.39926693  0.11219545
   0.38575031  0.33029304  0.24621564
   0.11138213  0.16656915  0.49678171
   0.41584717  0.14384132  0.84598069
   0.10310186  0.41746003  0.61773089
   0.35320834  0.38145297  0.73791379
   0.11569627  0.66873739  0.00764435
   0.39896448  0.59455993  0.35597761
   0.05176738  0.90472019  0.14139196
   0.31916760  0.84993996  0.25054214
   0.16654209  0.66872552  0.49611607
   0.34462094  0.62088030  0.86974937
   0.06651930  0.91312166  0.61587096
   0.34715117  0.97993472  0.67695948
   0.62875452  0.15629481  1.00301705
   0.85847555  0.14207429  0.37343978
   0.61191566  0.41964210  0.11194942
   0.85997765  0.30255144  0.17647494
   0.61388345  0.18328070  0.50627961
   0.89177561  0.09579658  0.90204241
   0.55372679  0.45558706  0.61409211
   0.76516256  0.34560733  0.79207957
   0.58849092  0.67882254 -0.00892571
   0.91027283  0.62210406  0.38142222
   0.56553662  0.92671732  0.13597722
   0.81786325  0.86419639  0.25244098
   0.64038472  0.65692078  0.46039061
   0.86232907  0.59562569  0.88747401
   0.62380386  0.91933513  0.63209283
   0.84000488  0.85834583  0.77158543
   0.06379193  0.06008622  0.12649107
   0.36827240  0.17810965  0.29056253
   0.11621647  0.31520856  0.01526521
   0.34996083  0.44935280  0.32269124
   0.53434780  0.35139241  0.20284663
   0.27764762  0.37640788  0.15859744
   0.24342997  0.09412034  0.46022635
   0.00799717  0.18071179  0.40702693
   0.05651897  0.07405893  0.59102113
   0.44812119  0.24296363  0.75417459
   0.16317338  0.31998340  0.52623156
   0.36523951  0.46132155  0.84052626
   0.40402696  0.47702151  0.65242273
   0.19187737  0.36668265  0.70913506
   0.28902072  0.21467492 -0.10099301
   0.04431730  0.10810400  0.91435418
   0.09685775  0.56005668  0.10020705
   0.38146290  0.69489530  0.26354870
   0.09005515  0.82475378  0.03974511
   0.36485588  0.93484122  0.34062982
   0.41159996  0.91259900  0.16151411
   0.15651652  0.86157876  0.23337219
   0.31782534  0.64395825  0.45715194
   0.05821476  0.65260272  0.41339912
   0.14799644  0.56530030  0.58332763
   0.29168480  0.69531872  0.77888869
   0.10584063  0.82252610  0.52706563
   0.37464118  1.00888201  0.78681779
   0.46164349  0.88976765  0.63340287
   0.20943417  0.89994366  0.68049023
   0.26880930  0.63978099 -0.02942709
   0.00643223  0.63528028  0.93156556
   0.59445570  0.08264763  0.10363331
   0.82059684  0.24628129  0.28114650
   0.58871666  0.31050682  0.02498715
   0.91933511  0.46870674  0.34617482
   0.01521647  0.35005127  0.18287994
   0.76279869  0.43395261  0.14490889
   0.75967913  0.20543794  0.45146065
   0.50786419  0.11357748  0.43698328
   0.64172336  0.08137635  0.59657965
   0.83109680  0.19217164  0.80972559
   0.55772445  0.33763962  0.53123362
   0.86852000  0.44183193  0.85721663
   0.94722812  0.41865356  0.64597668
   0.67888252  0.39173939  0.69450805
   0.79155559  0.13569126  0.98618687
   0.53637633  0.10893363  0.91883702
   0.55391376  0.56268850  0.07224807
   0.87154464  0.72093641  0.28927657
   0.58950893  0.83245239  0.03876873
   0.84942858  0.97603600  0.33849619
   0.88914103  0.87951216  0.15272828
   0.65845539  0.88178500  0.23156637
   0.79871688  0.62658648  0.46441742
   0.55798243  0.56758870  0.37631789
   0.58930697  0.59907830  0.56630319
   0.83556165  0.69813616  0.79165538
   0.62753654  0.81767004  0.42794267
   0.87988621  0.92977489  0.87401672
   0.93327326  0.86126999  0.66192937
   0.69029188  0.91847401  0.74481157
   0.73984217  0.63934779  0.96727133
   0.48851152  0.68538414  0.90030332
   0.70650721  0.83452742  0.56459683
   0.56931341  0.85341745  0.37927127
   0.85058133  0.19825298  0.09834502
   0.98324312  0.40341362  0.30823877
   0.34413296  0.12362395  0.63250649
   0.23500340  0.78628737  0.75514262
   0.00203840  1.13131821  0.14108382
   0.24048418  1.08480772  0.03655466
   0.64897993  0.36948046  0.85250126
   0.88311505  0.36197793  0.60620510
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997066    0.405754    0.012509
    -0.000000    9.900280    0.111186
    -0.000000    0.000000   13.949085
   Si   O    H 
    32    64    10
Direct configuration=   817
   0.17044316  0.16713823 -0.02938917
   0.37074905  0.09235569  0.38738666
   0.12703538  0.40006246  0.11270178
   0.38475782  0.33141143  0.24657524
   0.11076217  0.16841145  0.49695467
   0.41539569  0.14410929  0.84489292
   0.10211373  0.41890828  0.61713676
   0.35263571  0.38232851  0.73802657
   0.11567447  0.66935871  0.00686755
   0.39859095  0.59443052  0.35688653
   0.05176747  0.90524965  0.14157943
   0.31927429  0.85034940  0.25021447
   0.16658727  0.66935063  0.49712421
   0.34395777  0.61967915  0.86975796
   0.06532827  0.91153383  0.61566290
   0.34724200  0.97948119  0.67778923
   0.62882736  0.15467790  1.00211612
   0.85853077  0.14146300  0.37276266
   0.61030146  0.42089420  0.11254653
   0.85876924  0.30351045  0.17673299
   0.61370939  0.18321266  0.50586172
   0.89105530  0.09589778  0.90143658
   0.55305650  0.45616172  0.61358189
   0.76403141  0.34611490  0.79213410
   0.58815932  0.68092333 -0.00820438
   0.91025986  0.62154331  0.38236081
   0.56506778  0.92699403  0.13521609
   0.81681422  0.86492055  0.25301493
   0.64023403  0.65596276  0.45991417
   0.86177753  0.59645198  0.88765705
   0.62425239  0.91950019  0.63105044
   0.84035743  0.85830135  0.77185843
   0.06381483  0.05868046  0.12592269
   0.36781637  0.17872781  0.28882539
   0.11624771  0.31585803  0.01530357
   0.35089193  0.44946985  0.32194715
   0.53480348  0.35124442  0.20317313
   0.27861968  0.37497322  0.15852122
   0.24260226  0.09351837  0.45976790
   0.00590270  0.17963666  0.40702580
   0.05626991  0.07624677  0.59209565
   0.44712619  0.24289862  0.75328533
   0.16193148  0.31845014  0.52596959
   0.36558357  0.46073359  0.84067217
   0.40378178  0.47634209  0.65246828
   0.19165089  0.36686378  0.70914053
   0.28834488  0.21558053 -0.10164231
   0.04420084  0.10804714  0.91326859
   0.09641044  0.55786659  0.10012517
   0.38176631  0.69659510  0.26359522
   0.08971843  0.82641521  0.03942815
   0.36305440  0.93643706  0.33992799
   0.41105668  0.91353831  0.16214843
   0.15748110  0.86262900  0.23478771
   0.31931914  0.64339403  0.45627661
   0.05614347  0.65250002  0.41386258
   0.14827980  0.56641897  0.58316882
   0.29172408  0.69354624  0.77843886
   0.10480971  0.82466137  0.52674150
   0.37487611  1.00865286  0.78642870
   0.46355985  0.88863245  0.63328136
   0.21040486  0.90055122  0.67934460
   0.26887324  0.63846761 -0.03042024
   0.00733836  0.63555369  0.93197114
   0.59631997  0.08289725  0.10235403
   0.82067428  0.24494896  0.28174214
   0.58825897  0.31042879  0.02521946
   0.91814248  0.46988508  0.34693798
   0.01484196  0.34964223  0.18318579
   0.76234518  0.43375461  0.14566657
   0.75971065  0.20552238  0.45175718
   0.50918153  0.11189755  0.43713698
   0.64209572  0.07875761  0.59609176
   0.83275714  0.19172432  0.80983163
   0.55838550  0.33651995  0.53220617
   0.86795086  0.44255419  0.85686347
   0.94670293  0.41634083  0.64640677
   0.67808847  0.39120696  0.69468907
   0.78980877  0.13565839  0.98532372
   0.53627107  0.11043699  0.91848576
   0.55397778  0.56278882  0.07231249
   0.87125948  0.71992061  0.28952187
   0.58764917  0.83081182  0.03806303
   0.85151518  0.97915390  0.33805996
   0.89018092  0.87899848  0.15324390
   0.65672883  0.88169150  0.23115105
   0.79668075  0.62650285  0.46444767
   0.55804956  0.56684810  0.37625890
   0.58750287  0.59894490  0.56688825
   0.83419145  0.69824470  0.79282379
   0.62686207  0.81665621  0.42864601
   0.87982938  0.92883426  0.87419455
   0.93408887  0.86212343  0.66223809
   0.69020395  0.91847975  0.74474324
   0.73721469  0.64063229  0.96672192
   0.48910783  0.68621823  0.90034638
   0.69903158  0.83686471  0.56676723
   0.56606664  0.86063707  0.38521466
   0.84708004  0.19578412  0.10516525
   0.98387011  0.40871323  0.31056172
   0.34959444  0.13000068  0.63089053
   0.23919903  0.78651315  0.75642568
  -0.00080774  1.13440437  0.13832399
   0.24193818  1.08626894  0.04453553
   0.64590125  0.37265667  0.85159297
   0.87945790  0.36957954  0.60853071
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997407    0.405122    0.012181
    -0.000000    9.899706    0.112791
    -0.000000    0.000000   13.949469
   Si   O    H 
    32    64    10
Direct configuration=   818
   0.17076882  0.16776230 -0.02924889
   0.37121457  0.09267383  0.38823478
   0.12591774  0.40085903  0.11281546
   0.38371460  0.33227489  0.24678410
   0.11067430  0.17052405  0.49719403
   0.41505470  0.14387674  0.84401246
   0.10107586  0.42024561  0.61625495
   0.35186841  0.38331756  0.73866205
   0.11510828  0.67016234  0.00612147
   0.39773871  0.59429590  0.35816013
   0.05185837  0.90586650  0.14172155
   0.31958304  0.85049494  0.24963246
   0.16653210  0.67045837  0.49799865
   0.34331263  0.61812988  0.86984464
   0.06446165  0.91055888  0.61536062
   0.34718983  0.97963311  0.67829119
   0.62920341  0.15340121  1.00128787
   0.85800885  0.14152856  0.37159423
   0.60898111  0.42181537  0.11338931
   0.85700529  0.30414217  0.17694854
   0.61335891  0.18369604  0.50524599
   0.89094608  0.09576617  0.90085571
   0.55328127  0.45606689  0.61311000
   0.76244390  0.34682422  0.79242939
   0.58789149  0.68296891 -0.00760941
   0.91063254  0.62052133  0.38317977
   0.56473252  0.92659729  0.13446986
   0.81558977  0.86624581  0.25396153
   0.63927583  0.65578674  0.45942383
   0.86111443  0.59680322  0.88821014
   0.62431676  0.91991141  0.63031484
   0.84027385  0.85827902  0.77202582
   0.06414092  0.05831225  0.12540732
   0.36699035  0.17956517  0.28725962
   0.11652015  0.31573920  0.01468345
   0.35107805  0.44977350  0.32146043
   0.53588394  0.35007471  0.20341300
   0.27854697  0.37409158  0.15905031
   0.24243410  0.09402870  0.45914760
   0.00470819  0.17865710  0.40742442
   0.05620283  0.07906896  0.59255045
   0.44619111  0.24322613  0.75238911
   0.15951673  0.31721828  0.52564135
   0.36524840  0.46075646  0.84052554
   0.40371353  0.47598731  0.65223288
   0.19132942  0.36691911  0.70927457
   0.28755191  0.21568843 -0.10268292
   0.04448379  0.10854965  0.91331421
   0.09602503  0.55680075  0.09947687
   0.38163706  0.69841922  0.26377298
   0.08967830  0.82766120  0.03945889
   0.36190307  0.93850395  0.34006843
   0.40889231  0.91381847  0.16295085
   0.15848418  0.86307104  0.23585360
   0.32095954  0.64265097  0.45610377
   0.05484781  0.65197677  0.41369155
   0.14813162  0.56743327  0.58202773
   0.29122534  0.69301872  0.77768579
   0.10504228  0.82573570  0.52613590
   0.37379145  1.00858078  0.78661534
   0.46667213  0.88678425  0.63251087
   0.21065991  0.90105246  0.67826201
   0.26834138  0.63751700 -0.03123643
   0.00791345  0.63509378  0.93210506
   0.59724660  0.08305564  0.10095874
   0.82044128  0.24330422  0.28281194
   0.58894377  0.31002192  0.02582065
   0.91761207  0.46994932  0.34814166
   0.01454056  0.34901626  0.18339212
   0.76255123  0.43464663  0.14621212
   0.75843683  0.20513839  0.45243486
   0.51093218  0.11013162  0.43734833
   0.64191406  0.07615239  0.59493537
   0.83509327  0.19161365  0.80979794
   0.55932425  0.33514081  0.53321655
   0.86688425  0.44302022  0.85658026
   0.94604122  0.41398094  0.64657883
   0.67689334  0.39150115  0.69433356
   0.78820456  0.13585590  0.98462224
   0.53664256  0.11198486  0.91829490
   0.55431516  0.56272633  0.07165148
   0.87068778  0.71914026  0.29009602
   0.58683051  0.82963446  0.03814724
   0.85338410  0.98164379  0.33722432
   0.89216116  0.87885873  0.15407169
   0.65502014  0.88193041  0.23100666
   0.79564227  0.62749959  0.46498589
   0.55759868  0.56708604  0.37601515
   0.58569155  0.59891785  0.56706437
   0.83372224  0.69838600  0.79365788
   0.62618545  0.81539648  0.42911944
   0.88013919  0.92872163  0.87486734
   0.93446935  0.86328124  0.66347910
   0.68991041  0.91827725  0.74483029
   0.73653535  0.64219407  0.96590717
   0.48963547  0.68647588  0.89975766
   0.69716403  0.83949718  0.57040084
   0.56195845  0.86800730  0.38915421
   0.84392740  0.19437093  0.11361495
   0.98211216  0.42185720  0.31319241
   0.35325148  0.12801666  0.63282338
   0.24605681  0.77875409  0.75704275
  -0.00055428  1.13597916  0.13531577
   0.24639697  1.08371462  0.04886235
   0.63988458  0.37610062  0.85272582
   0.87874472  0.38116770  0.61162600
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997477    0.404676    0.012261
    -0.000000    9.899225    0.114514
    -0.000000    0.000000   13.950049
   Si   O    H 
    32    64    10
Direct configuration=   819
   0.17139094  0.16798836 -0.02888446
   0.37137791  0.09274320  0.38921981
   0.12555871  0.40142811  0.11283245
   0.38293679  0.33290221  0.24670894
   0.11026272  0.17259988  0.49752704
   0.41476637  0.14350614  0.84330453
   0.10071382  0.42116570  0.61512894
   0.35076414  0.38356312  0.73978680
   0.11510932  0.67080630  0.00595289
   0.39756893  0.59459134  0.35922939
   0.05241818  0.90583305  0.14161355
   0.31949148  0.85120486  0.24888445
   0.16650888  0.67181957  0.49875973
   0.34294165  0.61752165  0.87000400
   0.06439491  0.91009255  0.61518717
   0.34698355  0.98050051  0.67856389
   0.62989184  0.15243505  1.00037591
   0.85683233  0.14171960  0.37020937
   0.60766385  0.42233425  0.11346566
   0.85575900  0.30505428  0.17739878
   0.61341481  0.18384703  0.50512744
   0.89064438  0.09510644  0.90003626
   0.55436293  0.45539614  0.61288792
   0.76043669  0.34750626  0.79287506
   0.58733414  0.68516787 -0.00651854
   0.91067198  0.61963851  0.38374891
   0.56442239  0.92600710  0.13386154
   0.81489728  0.86798464  0.25532649
   0.63784086  0.65571977  0.45943883
   0.86057766  0.59737106  0.88864758
   0.62416133  0.92042795  0.62991844
   0.84040402  0.85830974  0.77213109
   0.06453329  0.05866008  0.12534215
   0.36588116  0.18072122  0.28601014
   0.11714883  0.31508629  0.01347179
   0.35068858  0.45017713  0.32128326
   0.53639591  0.34870481  0.20386969
   0.27920765  0.37374907  0.15971618
   0.24219837  0.09391573  0.45832454
   0.00409601  0.17841546  0.40799049
   0.05608731  0.08245151  0.59303348
   0.44491546  0.24408266  0.75178977
   0.15747760  0.31680969  0.52552188
   0.36554019  0.46061796  0.84009723
   0.40436517  0.47535725  0.65187543
   0.19174903  0.36741162  0.70935671
   0.28656773  0.21621912 -0.10429875
   0.04633725  0.10937091  0.91315642
   0.09572418  0.55664214  0.09824664
   0.38175728  0.69940153  0.26391703
   0.09002931  0.82838132  0.04002399
   0.36134849  0.94085568  0.34035339
   0.40718309  0.91398161  0.16377646
   0.15806009  0.86315839  0.23643814
   0.32343194  0.64189186  0.45604599
   0.05484458  0.65138017  0.41367734
   0.14800388  0.56783185  0.58135114
   0.29120072  0.69306390  0.77693393
   0.10536264  0.82581789  0.52541973
   0.37399342  1.00892994  0.78770233
   0.46981261  0.88426995  0.63161023
   0.20995086  0.90194308  0.67740598
   0.26745532  0.63683316 -0.03193208
   0.00752976  0.63389912  0.93155740
   0.59856643  0.08223446  0.09986891
   0.82105663  0.24157523  0.28345987
   0.59006980  0.30994004  0.02612190
   0.91651162  0.47027567  0.34948597
   0.01463912  0.34804872  0.18365255
   0.76345525  0.43555959  0.14713061
   0.75718483  0.20416432  0.45360161
   0.51237735  0.10783463  0.43744577
   0.64060351  0.07309036  0.59405211
   0.83629511  0.19167375  0.80916847
   0.56017985  0.33403006  0.53393407
   0.86538824  0.44440268  0.85604596
   0.94625440  0.41168503  0.64696092
   0.67604296  0.39249541  0.69367129
   0.78766138  0.13552507  0.98425145
   0.53708104  0.11303928  0.91751074
   0.55450663  0.56254994  0.07076909
   0.86963008  0.71885857  0.29103770
   0.58587032  0.82996060  0.03842481
   0.85487270  0.98438011  0.33611875
   0.89387291  0.87886646  0.15462579
   0.65289550  0.88220832  0.23088467
   0.79574408  0.62800466  0.46555300
   0.55739396  0.56750828  0.37625105
   0.58523104  0.59905422  0.56726742
   0.83341566  0.69800615  0.79519609
   0.62524508  0.81390085  0.42956056
   0.88034235  0.92948718  0.87508595
   0.93492310  0.86433103  0.66475992
   0.68962776  0.91802104  0.74471247
   0.73677053  0.64388512  0.96492528
   0.49010299  0.68598666  0.89939282
   0.70324922  0.83379264  0.57183474
   0.55759948  0.87173652  0.39295696
   0.83877498  0.18998986  0.11883373
   0.98532827  0.42879417  0.31609593
   0.35438731  0.11821151  0.63557652
   0.25578849  0.76983797  0.75680290
   0.00620819  1.13420034  0.13425239
   0.25155299  1.08534006  0.04816236
   0.63690253  0.37526274  0.85497694
   0.86539910  0.38506528  0.61012736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997121    0.404592    0.012959
    -0.000000    9.898403    0.115700
    -0.000000    0.000000   13.950136
   Si   O    H 
    32    64    10
Direct configuration=   820
   0.17264684  0.16821572 -0.02839446
   0.37181562  0.09275985  0.38966149
   0.12631529  0.40228056  0.11303411
   0.38310210  0.33316507  0.24631625
   0.10936738  0.17431637  0.49784636
   0.41408716  0.14304248  0.84315530
   0.10070095  0.42142142  0.61456621
   0.34887918  0.38350676  0.74091783
   0.11535168  0.67197334  0.00639314
   0.39727136  0.59474649  0.35994048
   0.05345064  0.90517996  0.14122699
   0.31931903  0.85205915  0.24858219
   0.16634373  0.67285657  0.49906874
   0.34240249  0.61730342  0.87041913
   0.06423059  0.91046195  0.61564756
   0.34613958  0.98080327  0.67878819
   0.63051721  0.15237919  1.00002317
   0.85593501  0.14161489  0.36926762
   0.60613819  0.42219097  0.11317040
   0.85459205  0.30625601  0.17788213
   0.61383610  0.18333833  0.50539695
   0.89028169  0.09437833  0.89859556
   0.55574106  0.45415168  0.61243366
   0.75898016  0.34835356  0.79381835
   0.58670749  0.68723865 -0.00526595
   0.90980209  0.61918809  0.38372422
   0.56404278  0.92526368  0.13349679
   0.81438616  0.86981068  0.25707364
   0.63679545  0.65543867  0.45969079
   0.86008201  0.59768962  0.88923180
   0.62420405  0.92086297  0.62993532
   0.84028837  0.85854675  0.77216008
   0.06575502  0.05951131  0.12476009
   0.36454245  0.18226846  0.28473916
   0.11803494  0.31391766  0.01221380
   0.35010110  0.45062217  0.32152371
   0.53733043  0.34790601  0.20363940
   0.27926149  0.37308676  0.16079228
   0.24271430  0.09360573  0.45795879
   0.00369270  0.17850375  0.40850000
   0.05669289  0.08566286  0.59332336
   0.44428191  0.24508553  0.75162727
   0.15584990  0.31702240  0.52569171
   0.36617651  0.45973371  0.84001210
   0.40523430  0.47588116  0.65156610
   0.19208172  0.36783342  0.70942254
   0.28556732  0.21643941 -0.10556598
   0.04846110  0.11040895  0.91355678
   0.09632159  0.55783770  0.09631056
   0.38133598  0.69960054  0.26393011
   0.09026086  0.82806340  0.04096202
   0.36117866  0.94296659  0.34111576
   0.40559993  0.91481840  0.16416131
   0.15817042  0.86365189  0.23688389
   0.32575780  0.64094289  0.45606093
   0.05512170  0.65094687  0.41380020
   0.14760256  0.56695472  0.58076269
   0.29167419  0.69211008  0.77683249
   0.10545220  0.82576744  0.52412079
   0.37358777  1.00888252  0.78925708
   0.47247462  0.88258543  0.63133959
   0.20880403  0.90274798  0.67707728
   0.26664728  0.63526935 -0.03217983
   0.00641665  0.63324897  0.93131060
   0.59997392  0.08145790  0.09913244
   0.82115598  0.24058823  0.28357392
   0.59144032  0.30963558  0.02674309
   0.91539922  0.47042907  0.35078476
   0.01447873  0.34638039  0.18408688
   0.76400422  0.43637135  0.14780730
   0.75565762  0.20372600  0.45469746
   0.51366317  0.10641912  0.43684595
   0.63997481  0.07159613  0.59316597
   0.83687265  0.19168400  0.80933499
   0.56106486  0.33304810  0.53448197
   0.86444924  0.44484921  0.85526420
   0.94627909  0.40889041  0.64708366
   0.67573810  0.39387807  0.69244691
   0.78824353  0.13445966  0.98375659
   0.53689951  0.11357104  0.91655910
   0.55354576  0.56274095  0.06990469
   0.86901947  0.71919661  0.29210071
   0.58474592  0.83131546  0.03921414
   0.85641366  0.98751815  0.33525280
   0.89543104  0.87918230  0.15471668
   0.65077594  0.88297656  0.23102455
   0.79618451  0.62796429  0.46592384
   0.55801675  0.56868716  0.37708303
   0.58518439  0.59960896  0.56685220
   0.83340687  0.69747448  0.79646394
   0.62441876  0.81285066  0.42973620
   0.88029163  0.93056094  0.87487748
   0.93359570  0.86561229  0.66638955
   0.68876235  0.91808549  0.74433052
   0.73756913  0.64544586  0.96372412
   0.49091368  0.68525236  0.89903558
   0.70889646  0.82314347  0.57339079
   0.55684366  0.87143432  0.40009846
   0.83691534  0.18594905  0.12021619
   0.99707102  0.42632155  0.31276643
   0.35512340  0.11041416  0.63848834
   0.25317011  0.78415598  0.75017626
   0.00884791  1.13521674  0.13514258
   0.25277270  1.09024240  0.04399597
   0.63763835  0.37291734  0.85727962
   0.85880435  0.38997502  0.61021273
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.996154    0.404679    0.013434
    -0.000000    9.897714    0.116801
    -0.000000    0.000000   13.949871
   Si   O    H 
    32    64    10
Direct configuration=   821
   0.17371403  0.16850227 -0.02786062
   0.37150366  0.09284755  0.38936268
   0.12747174  0.40300728  0.11313082
   0.38363844  0.33407230  0.24573013
   0.10837992  0.17514855  0.49846903
   0.41299704  0.14247824  0.84307750
   0.10115498  0.42123132  0.61409114
   0.34712614  0.38392677  0.74189061
   0.11574785  0.67325857  0.00675719
   0.39771395  0.59493485  0.35978877
   0.05452212  0.90432863  0.14099780
   0.31870291  0.85252369  0.24811683
   0.16621568  0.67412461  0.49885351
   0.34187245  0.61770772  0.87075002
   0.06441313  0.91106205  0.61591296
   0.34537689  0.98094770  0.67872364
   0.63173679  0.15259015  0.99967589
   0.85529047  0.14120908  0.36818710
   0.60467257  0.42202577  0.11253906
   0.85354966  0.30695984  0.17856030
   0.61350276  0.18292055  0.50596717
   0.89024695  0.09384593  0.89736890
   0.55788615  0.45282342  0.61184473
   0.75718950  0.34879377  0.79532562
   0.58640005  0.68859426 -0.00457334
   0.90902832  0.61896913  0.38318432
   0.56394621  0.92472863  0.13345152
   0.81357052  0.87101616  0.25865866
   0.63597108  0.65464115  0.45974706
   0.85992762  0.59854904  0.88947565
   0.62552800  0.92130326  0.63010291
   0.83992620  0.85886456  0.77227454
   0.06743582  0.06121053  0.12381005
   0.36398844  0.18433238  0.28343839
   0.11813345  0.31400092  0.01140694
   0.34920407  0.45162749  0.32217421
   0.53676854  0.34718534  0.20362920
   0.27833342  0.37246265  0.16195676
   0.24302760  0.09357171  0.45794725
   0.00336278  0.17816727  0.40898435
   0.05742574  0.08780084  0.59356697
   0.44375143  0.24700494  0.75088882
   0.15396651  0.31849733  0.52572516
   0.36625651  0.45918038  0.84082952
   0.40568667  0.47660580  0.65108992
   0.19262939  0.36920038  0.70986395
   0.28418217  0.21627843 -0.10627729
   0.05055769  0.11146855  0.91379946
   0.09601713  0.55946942  0.09451825
   0.38053705  0.69963551  0.26382072
   0.09059594  0.82740954  0.04178370
   0.36051674  0.94416697  0.34181970
   0.40478097  0.91570372  0.16389439
   0.15875345  0.86341185  0.23692663
   0.32742958  0.63994643  0.45663658
   0.05609066  0.65022844  0.41393866
   0.14735803  0.56629174  0.58052740
   0.29161215  0.69193493  0.77629349
   0.10553940  0.82575238  0.52265789
   0.37337905  1.00870426  0.79146619
   0.47354698  0.88192026  0.63225970
   0.20703099  0.90229448  0.67679304
   0.26523890  0.63474207 -0.03199718
   0.00421650  0.63329710  0.93039008
   0.60094130  0.08051903  0.09916763
   0.82114357  0.23921699  0.28336969
   0.59278588  0.30927458  0.02713195
   0.91527726  0.46888432  0.35142684
   0.01393257  0.34512665  0.18487600
   0.76490092  0.43684213  0.14802776
   0.75431031  0.20348448  0.45531228
   0.51576489  0.10477901  0.43683078
   0.63964996  0.07120845  0.59217156
   0.83726545  0.19289918  0.80865283
   0.56206056  0.33221504  0.53474081
   0.86404711  0.44542997  0.85464185
   0.94496192  0.40701240  0.64676509
   0.67567941  0.39590781  0.69092560
   0.78932138  0.13318408  0.98311176
   0.53631268  0.11389082  0.91615271
   0.55287622  0.56294505  0.06910547
   0.86853625  0.72000382  0.29289688
   0.58356792  0.83273396  0.04028403
   0.85658350  0.98995794  0.33496782
   0.89673418  0.87994896  0.15475427
   0.64884699  0.88294600  0.23106345
   0.79628652  0.62722723  0.46583325
   0.55869522  0.56971937  0.37789621
   0.58546990  0.59961833  0.56606703
   0.83327318  0.69727346  0.79762517
   0.62364325  0.81229950  0.43016817
   0.87990586  0.93192990  0.87410915
   0.93138047  0.86638243  0.66787074
   0.68828639  0.91829945  0.74345323
   0.73850632  0.64603933  0.96273584
   0.49124945  0.68533693  0.89936650
   0.71551042  0.81440608  0.57759609
   0.55669572  0.86934308  0.40542118
   0.83999326  0.18127736  0.12073438
   0.99694648  0.43193765  0.31459666
   0.35308574  0.10777382  0.63574745
   0.25316054  0.78839215  0.74703891
   0.00996202  1.14139289  0.13863055
   0.25584162  1.09640461  0.03924425
   0.63997797  0.36990979  0.85647843
   0.86069607  0.39597044  0.61348475
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.995094    0.404894    0.014067
    -0.000000    9.896880    0.118481
    -0.000000    0.000000   13.949839
   Si   O    H 
    32    64    10
Direct configuration=   822
   0.17492184  0.16911736 -0.02754232
   0.37169272  0.09318622  0.38893185
   0.12925271  0.40305909  0.11346643
   0.38394446  0.33532379  0.24495225
   0.10737245  0.17521914  0.49946819
   0.41206123  0.14204034  0.84281365
   0.10205225  0.42079549  0.61351470
   0.34513944  0.38437726  0.74263260
   0.11625666  0.67455551  0.00624752
   0.39814238  0.59514083  0.35970089
   0.05536836  0.90378133  0.14031536
   0.31766690  0.85320652  0.24820604
   0.16601906  0.67473338  0.49918397
   0.34179288  0.61711562  0.87139488
   0.06435455  0.91240248  0.61589293
   0.34495216  0.98001671  0.67861074
   0.63246030  0.15288247  0.99913802
   0.85484215  0.14101094  0.36736799
   0.60357076  0.42138483  0.11191805
   0.85290207  0.30687327  0.17945955
   0.61365055  0.18268786  0.50642878
   0.88946810  0.09414490  0.89590126
   0.56041316  0.45140595  0.61154890
   0.75540214  0.34924413  0.79751429
   0.58578193  0.69020822 -0.00438092
   0.90833423  0.61874275  0.38267987
   0.56364286  0.92422068  0.13343247
   0.81312148  0.87176137  0.26056854
   0.63536960  0.65386821  0.45951009
   0.85935381  0.59978777  0.88992964
   0.62735459  0.92151258  0.63001630
   0.83953877  0.85869703  0.77274227
   0.06905060  0.06355740  0.12326707
   0.36366185  0.18631941  0.28302476
   0.11780272  0.31492400  0.01164471
   0.34785891  0.45209489  0.32292171
   0.53636935  0.34662797  0.20361794
   0.27652913  0.37242458  0.16269380
   0.24368082  0.09354844  0.45832614
   0.00315485  0.17797441  0.40971025
   0.05851230  0.08911646  0.59426906
   0.44292009  0.24811535  0.75071472
   0.15254709  0.32116328  0.52592650
   0.36592886  0.45911434  0.84154952
   0.40692175  0.47691976  0.65099316
   0.19290897  0.37031878  0.71013873
   0.28301325  0.21605909 -0.10662079
   0.05244024  0.11265998  0.91416890
   0.09539682  0.56107877  0.09247031
   0.37957301  0.69971425  0.26478060
   0.09126656  0.82715686  0.04273861
   0.36018119  0.94423937  0.34214247
   0.40342369  0.91641090  0.16328788
   0.15801085  0.86281233  0.23673097
   0.32797227  0.63954002  0.45749488
   0.05739917  0.64963857  0.41409549
   0.14818846  0.56566766  0.58052990
   0.29138689  0.69248312  0.77553174
   0.10595465  0.82554013  0.52132756
   0.37282970  1.00778859  0.79376808
   0.47388049  0.88126772  0.63295009
   0.20657627  0.90177597  0.67617182
   0.26315331  0.63398925 -0.03146630
   0.00221917  0.63359948  0.93004724
   0.60136649  0.07952209  0.09949859
   0.82125068  0.23908507  0.28311875
   0.59453853  0.30819296  0.02792785
   0.91596312  0.46650370  0.35163755
   0.01288171  0.34446329  0.18566754
   0.76510165  0.43777752  0.14795911
   0.75346720  0.20330388  0.45503456
   0.51804707  0.10343097  0.43666866
   0.63954274  0.07173158  0.59096002
   0.83815406  0.19437328  0.80751148
   0.56295035  0.33159449  0.53463896
   0.86331458  0.44616677  0.85414946
   0.94454805  0.40472820  0.64638384
   0.67521710  0.39766866  0.68972288
   0.79035954  0.13126863  0.98254386
   0.53671772  0.11347776  0.91521969
   0.55263630  0.56383344  0.06808096
   0.86706849  0.72161682  0.29327859
   0.58291985  0.83420723  0.04111320
   0.85657099  0.99178406  0.33423227
   0.89745423  0.88025052  0.15484518
   0.64830950  0.88397146  0.23138095
   0.79701932  0.62679002  0.46580553
   0.55993961  0.57106414  0.37898140
   0.58559237  0.60023076  0.56528749
   0.83327254  0.69645334  0.79865861
   0.62309361  0.81227437  0.43012214
   0.87995636  0.93322387  0.87332778
   0.92931631  0.86723645  0.66931948
   0.68842765  0.91860223  0.74297056
   0.74018014  0.64639903  0.96175080
   0.49176135  0.68510489  0.89972866
   0.71754760  0.81415607  0.58484789
   0.54681286  0.87269506  0.40842245
   0.84572518  0.18438153  0.12070960
   0.98915378  0.43740829  0.31778106
   0.35124210  0.11125803  0.62802283
   0.25704544  0.78001473  0.74685614
   0.01173447  1.14433830  0.14432561
   0.26000932  1.10007102  0.03702404
   0.64172485  0.36078034  0.85680913
   0.86372003  0.40395521  0.61640148
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994420    0.404939    0.014528
    -0.000000    9.895970    0.120076
    -0.000000    0.000000   13.950060
   Si   O    H 
    32    64    10
Direct configuration=   823
   0.17602624  0.16964325 -0.02760022
   0.37161460  0.09422087  0.38783458
   0.13028669  0.40277555  0.11388093
   0.38469019  0.33692582  0.24457520
   0.10619526  0.17486159  0.50025700
   0.41097989  0.14206770  0.84241674
   0.10288445  0.41972230  0.61294272
   0.34377857  0.38517219  0.74308987
   0.11686024  0.67566698  0.00534276
   0.39853153  0.59527283  0.35942437
   0.05604094  0.90298237  0.13960871
   0.31705016  0.85342303  0.24798018
   0.16535027  0.67488645  0.49939345
   0.34202338  0.61648094  0.87164890
   0.06463874  0.91387720  0.61569736
   0.34490367  0.97897226  0.67824805
   0.63294955  0.15276187  0.99913499
   0.85472063  0.14114049  0.36688615
   0.60259378  0.42104078  0.11113132
   0.85224692  0.30667755  0.18011707
   0.61421061  0.18267493  0.50684268
   0.88927184  0.09448986  0.89425464
   0.56221884  0.45031921  0.61118700
   0.75435654  0.34986708  0.79948650
   0.58523424  0.69106576 -0.00445596
   0.90830398  0.61925740  0.38228578
   0.56326963  0.92440032  0.13341638
   0.81304871  0.87249498  0.26255962
   0.63461138  0.65264500  0.45948782
   0.85849650  0.60088445  0.89046292
   0.62863722  0.92196455  0.62991930
   0.83953685  0.85862887  0.77344472
   0.07054120  0.06616212  0.12251758
   0.36324432  0.18834391  0.28337705
   0.11660168  0.31579955  0.01175776
   0.34595340  0.45300202  0.32434594
   0.53575252  0.34566653  0.20353584
   0.27493686  0.37214306  0.16310075
   0.24436448  0.09343419  0.45891345
   0.00254365  0.17774093  0.41040552
   0.05941349  0.09022068  0.59511494
   0.44349196  0.24898415  0.75091190
   0.15155238  0.32350196  0.52612137
   0.36595505  0.45856374  0.84299275
   0.40782763  0.47743579  0.65046632
   0.19249021  0.37247817  0.70956178
   0.28282610  0.21549523 -0.10737513
   0.05342926  0.11356375  0.91426842
   0.09482106  0.56282523  0.09048638
   0.37888050  0.69949897  0.26521171
   0.09233227  0.82691903  0.04280913
   0.36012537  0.94405592  0.34222970
   0.40366062  0.91773949  0.16265860
   0.15672554  0.86231309  0.23627590
   0.32808652  0.63925650  0.45868145
   0.05897268  0.64881496  0.41458889
   0.14903816  0.56547403  0.57986793
   0.29140801  0.69273226  0.77481999
   0.10602219  0.82573433  0.52054980
   0.37168828  1.00653201  0.79531843
   0.47339977  0.88081267  0.63323734
   0.20657750  0.90107584  0.67514641
   0.25974515  0.63421975 -0.03075849
   0.00115547  0.63438844  0.93019627
   0.60193406  0.07783009  0.09945232
   0.82174346  0.23888380  0.28210063
   0.59686400  0.30759880  0.02840289
   0.91671744  0.46559317  0.35193276
   0.01192854  0.34532522  0.18633538
   0.76463014  0.43833869  0.14773680
   0.75292593  0.20175308  0.45495562
   0.52014173  0.10245770  0.43649685
   0.63958062  0.07145514  0.59016284
   0.83844528  0.19547873  0.80644267
   0.56362939  0.33029220  0.53437333
   0.86265714  0.44625307  0.85355205
   0.94554905  0.40249021  0.64663104
   0.67493728  0.39895471  0.68916929
   0.79134895  0.12900116  0.98198724
   0.53776721  0.11295448  0.91387367
   0.55177038  0.56518515  0.06726484
   0.86537659  0.72299523  0.29332067
   0.58177375  0.83536356  0.04215065
   0.85677660  0.99272409  0.33341872
   0.89709175  0.88039286  0.15551666
   0.64838172  0.88493947  0.23148350
   0.79761571  0.62711651  0.46584779
   0.56126593  0.57287469  0.38005318
   0.58650731  0.60123394  0.56482164
   0.83244385  0.69657304  0.79935005
   0.62330581  0.81259951  0.42986270
   0.88052806  0.93371171  0.87264730
   0.92792155  0.86751639  0.67064285
   0.68800456  0.91882225  0.74211556
   0.74139418  0.64734000  0.96081478
   0.49210548  0.68422778  0.90008171
   0.71600178  0.81876547  0.59071034
   0.53901607  0.87002870  0.41164529
   0.84795708  0.19401846  0.12078188
   0.99220264  0.43418358  0.31436344
   0.34561996  0.11681261  0.62067162
   0.25873012  0.76786088  0.74684771
   0.02147203  1.13867364  0.14810477
   0.26652913  1.09640784  0.03854048
   0.64093656  0.35359749  0.86043507
   0.85793729  0.41041530  0.61428911
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993340    0.405124    0.015289
    -0.000000    9.894943    0.121730
    -0.000000    0.000000   13.950626
   Si   O    H 
    32    64    10
Direct configuration=   824
   0.17670881  0.17028076 -0.02794194
   0.37121311  0.09516415  0.38619725
   0.13118200  0.40252095  0.11402804
   0.38477016  0.33808715  0.24398568
   0.10523391  0.17495334  0.50067503
   0.40994144  0.14203146  0.84219440
   0.10318590  0.41878672  0.61280064
   0.34308011  0.38573371  0.74367460
   0.11716717  0.67561957  0.00462563
   0.39887703  0.59570401  0.35887243
   0.05667502  0.90265902  0.13916243
   0.31696082  0.85372529  0.24744930
   0.16444086  0.67497347  0.49940230
   0.34272760  0.61598384  0.87157111
   0.06506203  0.91506282  0.61546002
   0.34508827  0.97799201  0.67781046
   0.63308951  0.15345190  0.99980423
   0.85468427  0.14196690  0.36683563
   0.60195732  0.42032917  0.11012163
   0.85193715  0.30682515  0.18055970
   0.61510557  0.18265782  0.50713972
   0.88893403  0.09493729  0.89295342
   0.56313804  0.44935047  0.61076374
   0.75337372  0.35048121  0.80113632
   0.58498432  0.69163928 -0.00425475
   0.90784780  0.61910951  0.38158757
   0.56290982  0.92442558  0.13390236
   0.81262666  0.87314581  0.26361090
   0.63441072  0.65152835  0.45941796
   0.85794557  0.60191164  0.89070796
   0.62958070  0.92148818  0.63022332
   0.83865509  0.85858496  0.77455396
   0.07161039  0.06826174  0.12174351
   0.36296082  0.19035666  0.28445452
   0.11584219  0.31656773  0.01208692
   0.34471296  0.45295047  0.32545655
   0.53480048  0.34553692  0.20368689
   0.27220569  0.37174117  0.16316126
   0.24520289  0.09398484  0.45939248
   0.00132699  0.17636696  0.41047745
   0.05975204  0.09064466  0.59563421
   0.44393273  0.24938351  0.75150959
   0.15013949  0.32545693  0.52613757
   0.36681604  0.45799241  0.84465804
   0.40896238  0.47760936  0.64981882
   0.19168624  0.37413198  0.70818072
   0.28258157  0.21484609 -0.10782496
   0.05360997  0.11467105  0.91392729
   0.09494261  0.56385813  0.08821261
   0.37836604  0.69932939  0.26537417
   0.09357717  0.82735012  0.04215623
   0.35976004  0.94393599  0.34235787
   0.40468092  0.91847025  0.16188906
   0.15581238  0.86162543  0.23569295
   0.32783237  0.63952980  0.45987068
   0.06028299  0.64804565  0.41451890
   0.14976323  0.56495293  0.57967953
   0.29178298  0.69160978  0.77480555
   0.10662073  0.82553895  0.51954719
   0.37030981  1.00414412  0.79592462
   0.47319177  0.88027704  0.63351816
   0.20699428  0.89988024  0.67435889
   0.25732046  0.63525464 -0.03070237
   0.00043828  0.63505991  0.93038145
   0.60233216  0.07590686  0.09926171
   0.82185524  0.23930399  0.28158077
   0.59901641  0.30712592  0.02854958
   0.91772189  0.46476215  0.35219275
   0.01161451  0.34684704  0.18681286
   0.76349470  0.43860929  0.14753786
   0.75304650  0.19944854  0.45468971
   0.52191251  0.10189554  0.43586884
   0.63937330  0.07142351  0.58983218
   0.83909739  0.19685162  0.80577812
   0.56453519  0.32900752  0.53409618
   0.86198444  0.44660825  0.85321213
   0.94715987  0.40082818  0.64673160
   0.67513153  0.40112082  0.68862102
   0.79190057  0.12609849  0.98219090
   0.53822815  0.11271615  0.91261367
   0.55072413  0.56718286  0.06638289
   0.86381696  0.72486479  0.29366630
   0.58108759  0.83600577  0.04206051
   0.85701834  0.99294190  0.33316582
   0.89570923  0.88067967  0.15676052
   0.64895645  0.88565346  0.23170557
   0.79822844  0.62711811  0.46581451
   0.56184020  0.57361848  0.38048229
   0.58757857  0.60207959  0.56446062
   0.83197471  0.69666047  0.79964290
   0.62259461  0.81340190  0.42956635
   0.88102157  0.93414642  0.87192651
   0.92662509  0.86836096  0.67186997
   0.68926552  0.91864923  0.74103195
   0.74139351  0.64828067  0.96061510
   0.49183126  0.68380246  0.90019148
   0.71313755  0.82100760  0.59489270
   0.53937629  0.86065938  0.41621290
   0.85160065  0.20117218  0.11624185
   0.99681446  0.43342955  0.30816753
   0.34233887  0.11311843  0.61684679
   0.25135559  0.77532149  0.73792350
   0.02292641  1.13928769  0.15374575
   0.27194580  1.09336301  0.04068367
   0.63759577  0.34670529  0.86307108
   0.85728228  0.41460405  0.61319801
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992303    0.405210    0.015618
    -0.000000    9.893656    0.124080
    -0.000000    0.000000   13.951060
   Si   O    H 
    32    64    10
Direct configuration=   825
   0.17718552  0.17073238 -0.02780031
   0.37051024  0.09578274  0.38450934
   0.13173565  0.40222458  0.11421979
   0.38494930  0.33904114  0.24397850
   0.10462358  0.17451097  0.50109832
   0.40970364  0.14232418  0.84144014
   0.10248315  0.41809579  0.61284352
   0.34303698  0.38666182  0.74388944
   0.11626702  0.67563659  0.00416421
   0.39940980  0.59638625  0.35869473
   0.05757289  0.90177520  0.13886293
   0.31726997  0.85475493  0.24713351
   0.16404385  0.67432663  0.49897082
   0.34370274  0.61615970  0.87112259
   0.06566939  0.91682736  0.61522440
   0.34592864  0.97734153  0.67747384
   0.63369728  0.15427385  1.00061746
   0.85469416  0.14348650  0.36729887
   0.60224521  0.41960425  0.10921385
   0.85165450  0.30638905  0.18112675
   0.61637968  0.18219083  0.50730110
   0.88905248  0.09467699  0.89199555
   0.56415692  0.44896307  0.61057826
   0.75214514  0.35080271  0.80253194
   0.58516592  0.69176743 -0.00459666
   0.90812144  0.61837928  0.38105408
   0.56209290  0.92431647  0.13439908
   0.81228302  0.87408868  0.26435319
   0.63440150  0.65101181  0.45949346
   0.85776790  0.60319675  0.89131039
   0.62988920  0.92085528  0.63049029
   0.83781773  0.85816630  0.77540507
   0.07283471  0.06970793  0.12063539
   0.36187486  0.19269716  0.28596489
   0.11581220  0.31644248  0.01256030
   0.34329907  0.45218188  0.32627669
   0.53422057  0.34568182  0.20410040
   0.26961829  0.37108487  0.16283937
   0.24578078  0.09496863  0.45989517
   0.00047076  0.17576026  0.41085238
   0.05954944  0.08988100  0.59599721
   0.44427543  0.24926920  0.75202725
   0.14879965  0.32711750  0.52629102
   0.36778396  0.45848466  0.84609603
   0.40976887  0.47800603  0.64967486
   0.18986647  0.37611415  0.70749898
   0.28258875  0.21339356 -0.10811614
   0.05324012  0.11497702  0.91378421
   0.09517145  0.56532413  0.08663027
   0.37656824  0.69852955  0.26578705
   0.09471311  0.82815836  0.04164916
   0.35971084  0.94364857  0.34280557
   0.40533139  0.91926412  0.16151356
   0.15347684  0.86159357  0.23502868
   0.32672224  0.64039826  0.46063883
   0.06180007  0.64716360  0.41439573
   0.15096090  0.56432531  0.57969270
   0.29136349  0.69124690  0.77459359
   0.10726995  0.82551367  0.51852964
   0.36944250  1.00176983  0.79670497
   0.47267500  0.88008828  0.63375348
   0.20809522  0.89862350  0.67435066
   0.25572430  0.63570772 -0.03143459
   0.00000781  0.63603513  0.93101883
   0.60254291  0.07398229  0.09930925
   0.82104649  0.24015149  0.28083757
   0.60107301  0.30659186  0.02857822
   0.91995574  0.46342459  0.35229677
   0.01148569  0.34854055  0.18739713
   0.76095878  0.43831079  0.14732186
   0.75323982  0.19702688  0.45407994
   0.52335217  0.10134654  0.43555555
   0.63979736  0.07098051  0.58898030
   0.83957754  0.19830355  0.80489557
   0.56522687  0.32861366  0.53363755
   0.86099130  0.44721720  0.85276522
   0.94765498  0.39974218  0.64689914
   0.67622316  0.40333517  0.68866996
   0.79234582  0.12272066  0.98234177
   0.53884129  0.11193239  0.91155610
   0.54924442  0.56932335  0.06631206
   0.86315968  0.72660621  0.29414713
   0.57913997  0.83679751  0.04222491
   0.85724761  0.99257916  0.33326735
   0.89421173  0.88093774  0.15794084
   0.65057802  0.88681528  0.23180705
   0.79919297  0.62693201  0.46548401
   0.56147861  0.57360755  0.38082768
   0.58797369  0.60204204  0.56494561
   0.83114646  0.69658679  0.79998690
   0.62225345  0.81432566  0.42894510
   0.88177914  0.93409484  0.87039008
   0.92586168  0.86928515  0.67309245
   0.69134472  0.91885520  0.74041980
   0.74116307  0.64918373  0.96080022
   0.49138311  0.68313300  0.90049143
   0.71448227  0.81513892  0.59319632
   0.53367612  0.85453681  0.41867429
   0.85724389  0.20308887  0.10822256
   0.99191753  0.43375682  0.30665560
   0.33823611  0.10428372  0.61837830
   0.24586580  0.77634894  0.73304209
   0.02004939  1.14279853  0.15943589
   0.27721239  1.09641434  0.04042450
   0.63064439  0.34037546  0.86348178
   0.86463261  0.42041500  0.61532737
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990900    0.404631    0.015591
    -0.000000    9.892641    0.127489
    -0.000000    0.000000   13.951675
   Si   O    H 
    32    64    10
Direct configuration=   826
   0.17735926  0.17105568 -0.02722741
   0.37065679  0.09559717  0.38311730
   0.13199746  0.40233085  0.11415585
   0.38433626  0.34058645  0.24433979
   0.10475134  0.17413309  0.50131900
   0.40978137  0.14269267  0.84067837
   0.10113198  0.41837875  0.61309862
   0.34291181  0.38779876  0.74424090
   0.11485440  0.67523738  0.00397379
   0.39989195  0.59697313  0.35823609
   0.05870146  0.90154009  0.13913860
   0.31811366  0.85594453  0.24698239
   0.16400290  0.67411984  0.49845970
   0.34538747  0.61698776  0.87086462
   0.06578931  0.91840848  0.61548773
   0.34690043  0.97724783  0.67713936
   0.63422231  0.15502158  1.00119438
   0.85480059  0.14446791  0.36826653
   0.60260513  0.41838467  0.10843246
   0.85109876  0.30646478  0.18177278
   0.61764501  0.18096839  0.50749480
   0.88873809  0.09507247  0.89113331
   0.56497284  0.44909481  0.61030126
   0.75141541  0.35134109  0.80383405
   0.58526129  0.69171348 -0.00538631
   0.90889461  0.61786449  0.38009838
   0.56193338  0.92471286  0.13551225
   0.81169325  0.87511887  0.26483137
   0.63432816  0.65063495  0.46008918
   0.85756260  0.60413077  0.89186836
   0.62952124  0.92007766  0.63134456
   0.83718436  0.85857364  0.77599874
   0.07359719  0.07109673  0.11926813
   0.36125110  0.19448343  0.28758527
   0.11584309  0.31562126  0.01396591
   0.34169540  0.45084184  0.32614461
   0.53347580  0.34644241  0.20384453
   0.26753177  0.37074800  0.16254173
   0.24591077  0.09620512  0.46013268
  -0.00099049  0.17511344  0.41125976
   0.05837018  0.08848834  0.59655236
   0.44449249  0.24965086  0.75242055
   0.14751202  0.32757465  0.52684630
   0.36880945  0.45923194  0.84751397
   0.41142003  0.47861786  0.64953495
   0.18845927  0.37724011  0.70664350
   0.28215827  0.21238534 -0.10860726
   0.05270690  0.11507673  0.91287617
   0.09466785  0.56604184  0.08600583
   0.37534173  0.69853239  0.26650978
   0.09612570  0.82905533  0.04102530
   0.36004712  0.94258150  0.34319003
   0.40488678  0.92029975  0.16080814
   0.15214568  0.86109164  0.23433115
   0.32479225  0.64105639  0.46137362
   0.06370295  0.64544927  0.41382026
   0.15180462  0.56341783  0.57994216
   0.29048059  0.69115620  0.77463396
   0.10863025  0.82549333  0.51743463
   0.36876468  0.99965416  0.79681708
   0.47183367  0.87942930  0.63411294
   0.20953448  0.89818762  0.67463390
   0.25495683  0.63583998 -0.03229788
  -0.00044076  0.63745929  0.93145426
   0.60235894  0.07220593  0.09952033
   0.82045232  0.24112712  0.28007984
   0.60227092  0.30683090  0.02819267
   0.92212603  0.46231269  0.35193907
   0.01177543  0.35034539  0.18763282
   0.75762965  0.43840039  0.14700606
   0.75471947  0.19416686  0.45337755
   0.52426923  0.10136754  0.43511303
   0.64017327  0.07011259  0.58841778
   0.83996841  0.19918983  0.80447160
   0.56640320  0.32804292  0.53344254
   0.85970594  0.44731162  0.85278034
   0.94925308  0.39909147  0.64705149
   0.67853912  0.40449064  0.68888454
   0.79284372  0.12011739  0.98219396
   0.53984704  0.11162411  0.91112590
   0.54761313  0.57191795  0.06615913
   0.86257108  0.72755821  0.29477246
   0.57703299  0.83740939  0.04167081
   0.85717888  0.99171328  0.33335367
   0.89358743  0.88037328  0.15887265
   0.65281410  0.88767554  0.23196485
   0.80014076  0.62703024  0.46450255
   0.56123490  0.57358537  0.38049936
   0.58941204  0.60270333  0.56527912
   0.83060150  0.69667001  0.80064269
   0.62171536  0.81449574  0.42857812
   0.88245512  0.93376294  0.86878922
   0.92550327  0.87007957  0.67383717
   0.69278311  0.91826197  0.74006504
   0.74059063  0.65004809  0.96135901
   0.49039358  0.68261914  0.90038001
   0.71359926  0.80965126  0.58786967
   0.52446306  0.85168117  0.41830253
   0.86406475  0.20444197  0.10032649
   0.98340128  0.43667528  0.30774778
   0.33651813  0.09474309  0.62243185
   0.24544320  0.76826863  0.73305692
   0.02327585  1.13729215  0.16117984
   0.28191587  1.09911523  0.03685055
   0.63051647  0.33541105  0.86383872
   0.87034137  0.42500853  0.61647194
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989623    0.404279    0.015995
    -0.000000    9.891492    0.131226
    -0.000000    0.000000   13.952126
   Si   O    H 
    32    64    10
Direct configuration=   827
   0.17737558  0.17137199 -0.02618750
   0.37039421  0.09573891  0.38167480
   0.13143807  0.40312638  0.11364473
   0.38349589  0.34255131  0.24483411
   0.10485464  0.17315109  0.50136827
   0.41001617  0.14345460  0.83997357
   0.09995527  0.41879004  0.61322326
   0.34226437  0.38899420  0.74405908
   0.11215011  0.67466232  0.00374475
   0.40029149  0.59780417  0.35830833
   0.05972481  0.90179476  0.13941897
   0.31815442  0.85726568  0.24683499
   0.16445282  0.67393513  0.49826338
   0.34692413  0.61772999  0.87062427
   0.06548184  0.92011864  0.61574634
   0.34836298  0.97747523  0.67700767
   0.63465461  0.15491822  1.00134117
   0.85538920  0.14542671  0.36971162
   0.60203777  0.41752232  0.10807358
   0.85077980  0.30639220  0.18195416
   0.61867501  0.17940398  0.50780359
   0.88884196  0.09607105  0.89053038
   0.56620930  0.44936289  0.61057897
   0.75049302  0.35184982  0.80459478
   0.58528256  0.69185193 -0.00627021
   0.90929001  0.61752491  0.37862403
   0.56185143  0.92487505  0.13674469
   0.81050887  0.87621325  0.26477948
   0.63515184  0.65080788  0.46070059
   0.85789839  0.60474015  0.89249253
   0.62970184  0.91914929  0.63193075
   0.83636034  0.85864991  0.77610656
   0.07414624  0.07210244  0.11776601
   0.36146449  0.19551227  0.28958258
   0.11532573  0.31524645  0.01537019
   0.34033006  0.45012353  0.32654391
   0.53235573  0.34760540  0.20361966
   0.26628677  0.37091778  0.16189678
   0.24591073  0.09709048  0.46011792
  -0.00248854  0.17497237  0.41165938
   0.05732889  0.08695145  0.59665090
   0.44354500  0.24980960  0.75310165
   0.14753422  0.32731272  0.52648735
   0.37029506  0.45939459  0.84887476
   0.41384922  0.47868078  0.64936703
   0.18809142  0.37780953  0.70669492
   0.28225210  0.21117113 -0.10947999
   0.05121870  0.11460996  0.91221231
   0.09461170  0.56612190  0.08570349
   0.37464885  0.69810078  0.26708737
   0.09839808  0.82904244  0.04003884
   0.36072424  0.94121810  0.34315339
   0.40445924  0.92168412  0.15990842
   0.15105000  0.86106888  0.23323387
   0.32303718  0.64204646  0.46149007
   0.06587167  0.64374592  0.41292433
   0.15221564  0.56285769  0.58067870
   0.28940881  0.69090492  0.77451235
   0.10932076  0.82610794  0.51737364
   0.36850062  0.99784288  0.79673357
   0.47124833  0.87976508  0.63441143
   0.21027286  0.89836627  0.67512425
   0.25566668  0.63587752 -0.03392251
  -0.00067321  0.63835417  0.93207320
   0.60196179  0.07033904  0.09954624
   0.82041860  0.24169571  0.27916864
   0.60352551  0.30747366  0.02801640
   0.92332593  0.46174952  0.35242502
   0.01202980  0.35202178  0.18751674
   0.75485308  0.43724001  0.14625740
   0.75598838  0.19133225  0.45270220
   0.52450598  0.10161476  0.43447487
   0.64154851  0.06880116  0.58853191
   0.83974323  0.20028779  0.80365756
   0.56842666  0.32715392  0.53321061
   0.85789808  0.44677982  0.85376097
   0.95153555  0.39786950  0.64744436
   0.68097369  0.40607287  0.68972046
   0.79302178  0.11847000  0.98240157
   0.54048206  0.11079494  0.91060141
   0.54705601  0.57367747  0.06684389
   0.86152289  0.72850970  0.29510490
   0.57564789  0.83715050  0.04017509
   0.85692964  0.98978162  0.33338355
   0.89454054  0.87995347  0.16005441
   0.65521869  0.88848614  0.23138261
   0.80088740  0.62693756  0.46384181
   0.56069134  0.57328448  0.37937839
   0.59072247  0.60339588  0.56589004
   0.83074359  0.69619686  0.80040001
   0.62180569  0.81507208  0.42840553
   0.88361626  0.93342397  0.86722519
   0.92632686  0.87061826  0.67413893
   0.69429004  0.91797458  0.73962646
   0.73956132  0.65049799  0.96183292
   0.48889488  0.68116021  0.90052273
   0.71054073  0.80886780  0.58132153
   0.52588462  0.84812688  0.41766920
   0.86702205  0.20985093  0.09822766
   0.98530893  0.43581467  0.30019778
   0.33306744  0.09249324  0.62272235
   0.24451966  0.75936998  0.73972699
   0.03044948  1.13213392  0.16035530
   0.28449730  1.10023940  0.03369535
   0.63426899  0.33283726  0.86025697
   0.86578878  0.43084937  0.61310241
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988227    0.403851    0.016501
    -0.000000    9.890271    0.134870
    -0.000000    0.000000   13.952539
   Si   O    H 
    32    64    10
Direct configuration=   828
   0.17755905  0.17133059 -0.02520151
   0.37004692  0.09601491  0.38018448
   0.13003856  0.40340496  0.11309147
   0.38279077  0.34453090  0.24514001
   0.10513356  0.17214323  0.50121651
   0.41051989  0.14406861  0.83919866
   0.09867560  0.41968497  0.61375737
   0.34191879  0.39031023  0.74387797
   0.10924953  0.67452359  0.00362023
   0.40038986  0.59780236  0.35889848
   0.06047450  0.90254605  0.13896928
   0.31765208  0.85869339  0.24688180
   0.16513761  0.67381824  0.49831879
   0.34833388  0.61901187  0.86989233
   0.06514488  0.92119216  0.61576027
   0.35038904  0.97784384  0.67724858
   0.63440058  0.15412071  1.00127975
   0.85589559  0.14574712  0.37122095
   0.60185790  0.41699671  0.10776485
   0.85125164  0.30639498  0.18164623
   0.61997961  0.17766723  0.50810602
   0.88941957  0.09715063  0.88950467
   0.56759231  0.44953660  0.61084517
   0.75018805  0.35183630  0.80498031
   0.58591059  0.69167359 -0.00697433
   0.90926859  0.61738380  0.37703455
   0.56287573  0.92477975  0.13768538
   0.80945452  0.87706996  0.26422602
   0.63616544  0.65086507  0.46116498
   0.85769636  0.60454350  0.89310480
   0.63000832  0.91776172  0.63259434
   0.83585183  0.85832684  0.77620979
   0.07568072  0.07180617  0.11596958
   0.36134969  0.19700175  0.29188031
   0.11476766  0.31495762  0.01660080
   0.33941855  0.44959829  0.32672985
   0.53205702  0.34934718  0.20288826
   0.26689685  0.37075327  0.16156490
   0.24720006  0.09838970  0.46016070
  -0.00355815  0.17519949  0.41256152
   0.05656195  0.08538367  0.59633015
   0.44294308  0.24953868  0.75397669
   0.14783816  0.32630648  0.52615301
   0.37193665  0.45922860  0.84996631
   0.41538708  0.47779400  0.64971975
   0.18784365  0.37786500  0.70688778
   0.28280764  0.21080428 -0.11095145
   0.05016751  0.11335112  0.91178688
   0.09455208  0.56533235  0.08520771
   0.37420581  0.69808785  0.26824593
   0.10089589  0.82848723  0.03899206
   0.36164723  0.93993505  0.34328115
   0.40389524  0.92168911  0.15907714
   0.15035981  0.86102271  0.23220191
   0.32034804  0.64359903  0.46136753
   0.06727739  0.64204814  0.41197147
   0.15296596  0.56175753  0.58202602
   0.28901158  0.69027111  0.77529774
   0.10855642  0.82695482  0.51736080
   0.36810354  0.99605007  0.79628844
   0.47139083  0.87997482  0.63520251
   0.21043659  0.89928338  0.67533987
   0.25615025  0.63565904 -0.03540456
  -0.00181444  0.63876569  0.93258740
   0.60178665  0.06891897  0.09937551
   0.82033719  0.24211934  0.27894531
   0.60472476  0.30856572  0.02748307
   0.92424735  0.46070607  0.35288487
   0.01189070  0.35341248  0.18746631
   0.75293710  0.43651470  0.14475268
   0.75805873  0.18900741  0.45204951
   0.52369877  0.10191694  0.43367500
   0.64243094  0.06766691  0.58845617
   0.83906725  0.20194000  0.80293986
   0.56994898  0.32650304  0.53314393
   0.85564313  0.44697523  0.85464100
   0.95217052  0.39714418  0.64723906
   0.68464078  0.40768470  0.69084531
   0.79258986  0.11718758  0.98213953
   0.54143001  0.10992564  0.91035339
   0.54633026  0.57446564  0.06731976
   0.86079887  0.72856657  0.29538381
   0.57455903  0.83772890  0.03869875
   0.85667260  0.98800007  0.33366844
   0.89599365  0.87940303  0.16117957
   0.65715235  0.88954785  0.23040792
   0.80101817  0.62656918  0.46294674
   0.55968945  0.57168988  0.37841857
   0.59229006  0.60378287  0.56613988
   0.83014683  0.69552421  0.79956670
   0.62074211  0.81545433  0.42818256
   0.88463560  0.93287722  0.86597033
   0.92772982  0.87196990  0.67432065
   0.69514237  0.91764874  0.73937437
   0.73801661  0.65036780  0.96269876
   0.48725942  0.67886310  0.90046258
   0.70509759  0.81333628  0.57514159
   0.53119288  0.84334469  0.41749743
   0.86829703  0.21761110  0.09925020
   0.98812391  0.43441430  0.29118114
   0.32838545  0.09763092  0.62377173
   0.24233678  0.75895154  0.74243434
   0.03966731  1.13106917  0.16257456
   0.28349934  1.10305805  0.03068400
   0.63756136  0.33027027  0.85770727
   0.86591950  0.43813485  0.61124863
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986978    0.403183    0.016964
    -0.000000    9.889155    0.138231
    -0.000000    0.000000   13.953015
   Si   O    H 
    32    64    10
Direct configuration=   829
   0.17802053  0.17127867 -0.02465736
   0.36874607  0.09611350  0.37852415
   0.12848142  0.40455659  0.11193818
   0.38225922  0.34614780  0.24523372
   0.10591800  0.17127930  0.50024134
   0.41108440  0.14477272  0.83846456
   0.09769632  0.42027660  0.61455651
   0.34222320  0.39143067  0.74415352
   0.10661140  0.67414709  0.00337631
   0.39957171  0.59790466  0.35989164
   0.06126146  0.90322519  0.13862322
   0.31731898  0.86036656  0.24663471
   0.16607620  0.67350120  0.49840663
   0.35037651  0.62026650  0.86940367
   0.06514813  0.92268081  0.61579571
   0.35165866  0.97805101  0.67757102
   0.63396895  0.15343761  1.00120730
   0.85601100  0.14608568  0.37221923
   0.60183005  0.41681682  0.10780670
   0.85226891  0.30680457  0.18084222
   0.62130215  0.17567239  0.50866621
   0.89015232  0.09805355  0.88839669
   0.56879625  0.44974323  0.61125977
   0.74978912  0.35154213  0.80461353
   0.58675198  0.69142880 -0.00715378
   0.90989021  0.61706208  0.37588785
   0.56422992  0.92509626  0.13822506
   0.80866649  0.87769970  0.26352456
   0.63738675  0.65145436  0.46118853
   0.85753922  0.60459390  0.89384563
   0.62998617  0.91581625  0.63317590
   0.83580722  0.85820339  0.77638968
   0.07619586  0.07063281  0.11362574
   0.36141243  0.19810143  0.29340434
   0.11447845  0.31588976  0.01852164
   0.33793797  0.44894980  0.32780753
   0.53177905  0.35110693  0.20180548
   0.26853889  0.36998783  0.16090924
   0.24824186  0.09939583  0.45974611
  -0.00358777  0.17644567  0.41324191
   0.05540052  0.08399141  0.59531897
   0.44190868  0.24869485  0.75571362
   0.14848146  0.32406959  0.52571219
   0.37234529  0.45941672  0.85102598
   0.41626054  0.47598981  0.65035964
   0.18805323  0.37780853  0.70703707
   0.28359604  0.21037164 -0.11243075
   0.04888879  0.11247400  0.91194435
   0.09465711  0.56446750  0.08526233
   0.37330483  0.69903469  0.26890473
   0.10299045  0.82780062  0.03880481
   0.36229449  0.93967356  0.34361761
   0.40309132  0.92099537  0.15801039
   0.14952443  0.86153458  0.23125106
   0.31763675  0.64543857  0.46085132
   0.06869587  0.64033265  0.41078851
   0.15338991  0.56077663  0.58351049
   0.28922036  0.68932558  0.77641789
   0.10751826  0.82843537  0.51817070
   0.36776440  0.99450002  0.79582875
   0.47098948  0.88060019  0.63652890
   0.20991230  0.89955019  0.67541938
   0.25572885  0.63606527 -0.03708182
  -0.00356455  0.63836812  0.93312476
   0.60096239  0.06819562  0.09959912
   0.82001365  0.24239826  0.27947882
   0.60638331  0.30926159  0.02650291
   0.92555465  0.46036407  0.35299850
   0.01108990  0.35420881  0.18753895
   0.75096847  0.43557677  0.14315464
   0.76010920  0.18644034  0.45224019
   0.52201430  0.10196396  0.43304291
   0.64335124  0.06626795  0.58860794
   0.83818203  0.20267020  0.80188256
   0.57067828  0.32713640  0.53283211
   0.85320541  0.44738083  0.85591655
   0.95148957  0.39649277  0.64639463
   0.68772130  0.40872396  0.69207356
   0.79176161  0.11693600  0.98166334
   0.54254341  0.10994651  0.90974078
   0.54612294  0.57367916  0.06784771
   0.86006254  0.72825004  0.29526265
   0.57440256  0.83868917  0.03720134
   0.85594709  0.98724773  0.33475400
   0.89876623  0.87856383  0.16236532
   0.65878655  0.89032119  0.22923354
   0.80102267  0.62595508  0.46247165
   0.55830018  0.56998825  0.37704180
   0.59301968  0.60400666  0.56660480
   0.83004609  0.69608442  0.79818655
   0.62034500  0.81596996  0.42805397
   0.88534294  0.93256136  0.86464860
   0.92955295  0.87235626  0.67425125
   0.69552050  0.91779791  0.73833483
   0.73690349  0.64982929  0.96423011
   0.48624818  0.67776760  0.90075608
   0.69923829  0.81695636  0.57133949
   0.52835044  0.84550085  0.41408747
   0.86860655  0.22125045  0.10079160
   0.98435154  0.43216085  0.28934562
   0.32537514  0.10747716  0.62336775
   0.23447050  0.76579409  0.74271061
   0.04374072  1.13501835  0.16838407
   0.28230873  1.10311902  0.02704198
   0.63164985  0.32673798  0.85640831
   0.87666628  0.44006492  0.61579455
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985880    0.402351    0.017513
    -0.000000    9.887354    0.141369
    -0.000000    0.000000   13.953282
   Si   O    H 
    32    64    10
Direct configuration=   830
   0.17812041  0.17186000 -0.02473044
   0.36754670  0.09604511  0.37717690
   0.12578357  0.40662055  0.11130425
   0.38118840  0.34799199  0.24557263
   0.10713296  0.17081707  0.49940260
   0.41166715  0.14472294  0.83783989
   0.09726425  0.41991941  0.61487330
   0.34285907  0.39286555  0.74401279
   0.10531816  0.67326047  0.00336019
   0.39857756  0.59749886  0.36102657
   0.06119840  0.90396080  0.13827366
   0.31728053  0.86166089  0.24672168
   0.16702566  0.67310068  0.49796578
   0.35204311  0.62163238  0.86916400
   0.06527469  0.92413142  0.61575565
   0.35258682  0.97860875  0.67837694
   0.63324157  0.15257221  1.00101825
   0.85648757  0.14662215  0.37303050
   0.60157506  0.41721772  0.10804320
   0.85318345  0.30733450  0.18033673
   0.62257781  0.17406575  0.50842451
   0.89127445  0.09889826  0.88764084
   0.57002940  0.45027442  0.61145324
   0.74958675  0.35129490  0.80387550
   0.58756451  0.69076142 -0.00730890
   0.91088228  0.61704191  0.37502760
   0.56528504  0.92471610  0.13826983
   0.80867899  0.87822799  0.26301098
   0.63888498  0.65194563  0.46124604
   0.85710192  0.60487165  0.89447206
   0.62999347  0.91379208  0.63343000
   0.83645047  0.85723891  0.77601910
   0.07564231  0.06960185  0.11224347
   0.36143123  0.19910002  0.29397457
   0.11421892  0.31650793  0.02023593
   0.33686912  0.44858655  0.32926622
   0.53182135  0.35237843  0.20095230
   0.27015736  0.36954167  0.16110610
   0.24943182  0.10024426  0.45887507
  -0.00294112  0.17759258  0.41435948
   0.05372975  0.08237483  0.59422729
   0.44048396  0.24814169  0.75679056
   0.14893331  0.32185547  0.52540450
   0.37331250  0.45970507  0.85153727
   0.41719002  0.47445486  0.65164672
   0.18922887  0.37839170  0.70735946
   0.28447504  0.20998054 -0.11320999
   0.04717551  0.11156848  0.91236585
   0.09446205  0.56364955  0.08582350
   0.37240282  0.69971640  0.27011453
   0.10469184  0.82762429  0.03810843
   0.36306897  0.93934783  0.34395703
   0.40206360  0.92010597  0.15718289
   0.14967593  0.86201147  0.23023684
   0.31507470  0.64744246  0.45970222
   0.06930001  0.63835691  0.40924909
   0.15389449  0.56043507  0.58509075
   0.28960825  0.68926179  0.77757316
   0.10657143  0.83004969  0.51895601
   0.36819467  0.99330949  0.79494891
   0.46937033  0.88115823  0.63834112
   0.20939893  0.89980589  0.67556598
   0.25531934  0.63591898 -0.03805670
  -0.00555999  0.63785870  0.93330654
   0.60018627  0.06834737  0.09934299
   0.81954237  0.24256198  0.28007963
   0.60780589  0.30940088  0.02478000
   0.92723568  0.46005279  0.35212720
   0.01005160  0.35545929  0.18781792
   0.74903730  0.43483721  0.14264926
   0.76177272  0.18538131  0.45291306
   0.51944017  0.10164785  0.43302933
   0.64389112  0.06505136  0.58948341
   0.83730097  0.20375655  0.80120593
   0.57004081  0.32856812  0.53322842
   0.85102795  0.44765017  0.85693479
   0.94948263  0.39590507  0.64676170
   0.68985741  0.40874622  0.69366718
   0.79035113  0.11623753  0.98124530
   0.54391185  0.10999160  0.90911527
   0.54589771  0.57263296  0.06785955
   0.85935206  0.72809543  0.29580155
   0.57428215  0.83936740  0.03620940
   0.85394656  0.98734506  0.33609608
   0.90221861  0.87731853  0.16341668
   0.65957041  0.89128317  0.22785752
   0.80142848  0.62483851  0.46191235
   0.55653398  0.56871270  0.37597706
   0.59339063  0.60368945  0.56821289
   0.83027890  0.69644352  0.79720760
   0.61956644  0.81540489  0.42771695
   0.88647304  0.93363469  0.86414831
   0.93181813  0.87295489  0.67348772
   0.69570988  0.91822361  0.73779936
   0.73577213  0.64931482  0.96560732
   0.48636190  0.67717605  0.90146491
   0.69378215  0.82477091  0.56859605
   0.52452329  0.85025877  0.40943344
   0.86769761  0.22238373  0.10114446
   0.97246812  0.43045557  0.29626096
   0.32356102  0.11710110  0.62449422
   0.23139016  0.76999038  0.74494608
   0.05034231  1.13222378  0.16480751
   0.28527582  1.09817101  0.02985446
   0.62255786  0.32385049  0.85571885
   0.88188715  0.44577440  0.61830961
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985359    0.402242    0.016969
    -0.000000    9.886280    0.144750
    -0.000000    0.000000   13.953977
   Si   O    H 
    32    64    10
Direct configuration=   831
   0.17807128  0.17244004 -0.02459663
   0.36698671  0.09642595  0.37626707
   0.12320845  0.40874691  0.11050122
   0.37995010  0.34951124  0.24566452
   0.10847105  0.17059503  0.49873948
   0.41250209  0.14395163  0.83709488
   0.09732521  0.41912936  0.61472988
   0.34357350  0.39375833  0.74348394
   0.10413780  0.67295408  0.00310092
   0.39718272  0.59758122  0.36208655
   0.06063013  0.90495253  0.13796150
   0.31712992  0.86240357  0.24686423
   0.16762499  0.67317230  0.49739277
   0.35316422  0.62337831  0.86912245
   0.06535131  0.92510462  0.61555056
   0.35331508  0.97861000  0.67900284
   0.63244527  0.15212066  1.00084214
   0.85762473  0.14748436  0.37324573
   0.60088601  0.41766170  0.10828039
   0.85359409  0.30839400  0.17942543
   0.62391335  0.17242882  0.50829897
   0.89233277  0.09917215  0.88692419
   0.57150747  0.45054966  0.61205014
   0.74904948  0.35032275  0.80312003
   0.58886650  0.69018164 -0.00748942
   0.91200890  0.61739801  0.37419516
   0.56611512  0.92404207  0.13774279
   0.80944608  0.87873905  0.26233622
   0.64030824  0.65265356  0.46083314
   0.85598608  0.60569105  0.89470841
   0.62994687  0.91162916  0.63343082
   0.83659688  0.85684164  0.77510011
   0.07530055  0.06912320  0.11140211
   0.36142544  0.20020750  0.29459715
   0.11415355  0.31667666  0.02070343
   0.33588391  0.44909334  0.33109346
   0.53153785  0.35440914  0.20024451
   0.27227622  0.36936346  0.16157043
   0.25054445  0.10048293  0.45864191
  -0.00103666  0.17864350  0.41604531
   0.05220901  0.08183864  0.59283566
   0.43910387  0.24871369  0.75759781
   0.14949773  0.32018017  0.52567435
   0.37403655  0.46007506  0.85121587
   0.41839262  0.47248873  0.65318531
   0.19049758  0.37934586  0.70781630
   0.28438811  0.20982827 -0.11319249
   0.04534105  0.11115839  0.91262122
   0.09483666  0.56222685  0.08675152
   0.37152500  0.70067560  0.27097653
   0.10727447  0.82722147  0.03750508
   0.36401790  0.93960705  0.34381619
   0.40029542  0.91909317  0.15624813
   0.15041427  0.86295975  0.22971793
   0.31406285  0.64848235  0.45862440
   0.06917625  0.63590762  0.40857752
   0.15456282  0.56100467  0.58605382
   0.28939391  0.69037657  0.77741968
   0.10648125  0.83125805  0.51994270
   0.36891003  0.99217490  0.79431308
   0.46892233  0.88164358  0.63946531
   0.20902617  0.90023703  0.67598253
   0.25460556  0.63596005 -0.03914554
  -0.00688725  0.63799109  0.93368555
   0.59969041  0.06942942  0.09922993
   0.81914311  0.24149371  0.28081291
   0.60916643  0.30935787  0.02312967
   0.92909776  0.45949156  0.35156971
   0.00923847  0.35652539  0.18834058
   0.74789666  0.43385205  0.14237868
   0.76253728  0.18466651  0.45422960
   0.51771349  0.10169087  0.43300951
   0.64494144  0.06414135  0.59035322
   0.83620037  0.20466469  0.80065899
   0.56939035  0.33035797  0.53312343
   0.84941764  0.44815493  0.85778370
   0.94812313  0.39525924  0.64728641
   0.69222640  0.40849178  0.69519050
   0.78947953  0.11602715  0.98030317
   0.54466676  0.10998707  0.90885205
   0.54597159  0.57137061  0.06814188
   0.85862522  0.72751274  0.29633208
   0.57411755  0.84000955  0.03538414
   0.85265093  0.98755661  0.33776897
   0.90600107  0.87660912  0.16444368
   0.65912676  0.89235782  0.22660601
   0.80197833  0.62440551  0.46152524
   0.55500136  0.56735731  0.37514652
   0.59342959  0.60320750  0.56925904
   0.83071573  0.69648823  0.79666707
   0.61870993  0.81447313  0.42713239
   0.88760122  0.93522473  0.86373500
   0.93313938  0.87292875  0.67320239
   0.69561388  0.91927558  0.73705229
   0.73537501  0.64887379  0.96717871
   0.48763233  0.67723435  0.90250306
   0.69588841  0.82933550  0.56530636
   0.52667431  0.85107322  0.40508482
   0.86778583  0.22104124  0.10046568
   0.96596827  0.42687751  0.29619939
   0.32355805  0.11920569  0.62826388
   0.23082189  0.76320294  0.75014574
   0.05690289  1.12973945  0.15869275
   0.28768574  1.09531654  0.03458866
   0.61900964  0.32462419  0.85344519
   0.86954271  0.45615568  0.61698687
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984713    0.402496    0.016605
    -0.000000    9.885514    0.148168
    -0.000000    0.000000   13.954393
   Si   O    H 
    32    64    10
Direct configuration=   832
   0.17813596  0.17252776 -0.02463901
   0.36653165  0.09613691  0.37556703
   0.12040469  0.41045044  0.11014691
   0.37903457  0.35124389  0.24601369
   0.10991650  0.17032983  0.49845589
   0.41325250  0.14261077  0.83631693
   0.09758689  0.41846533  0.61436942
   0.34423467  0.39429592  0.74267011
   0.10362653  0.67269842  0.00308971
   0.39590179  0.59723653  0.36278363
   0.06042853  0.90589623  0.13815392
   0.31706144  0.86270601  0.24760657
   0.16777958  0.67390157  0.49712403
   0.35317530  0.62525285  0.86937427
   0.06539787  0.92562314  0.61536242
   0.35361390  0.97875255  0.67944796
   0.63203660  0.15115637  1.00073553
   0.85872878  0.14854151  0.37311970
   0.60061779  0.41903883  0.10882298
   0.85430890  0.30963928  0.17859986
   0.62452757  0.17111818  0.50817401
   0.89242792  0.09972453  0.88640516
   0.57280136  0.45090540  0.61294492
   0.74888477  0.34910350  0.80263666
   0.58940364  0.68911620 -0.00733701
   0.91345452  0.61792633  0.37370238
   0.56612721  0.92317942  0.13695436
   0.81015295  0.87881359  0.26152729
   0.64127767  0.65322240  0.46023800
   0.85433509  0.60623862  0.89438742
   0.62965854  0.91001322  0.63330999
   0.83737323  0.85651746  0.77410457
   0.07444557  0.06831130  0.11038069
   0.36083549  0.20169219  0.29459936
   0.11491840  0.31690476  0.02036236
   0.33482388  0.44975932  0.33267312
   0.53098738  0.35651380  0.19986198
   0.27391824  0.36921218  0.16211671
   0.25158823  0.10055112  0.45778562
   0.00095699  0.17991250  0.41771893
   0.05088671  0.08129856  0.59078886
   0.43873708  0.25030027  0.75860778
   0.14889378  0.31859288  0.52570346
   0.37459319  0.46033426  0.85027627
   0.41978287  0.47060320  0.65472110
   0.19104383  0.37994492  0.70848867
   0.28334713  0.20948916 -0.11270885
   0.04432999  0.11067751  0.91335398
   0.09489520  0.56177689  0.08786848
   0.37064886  0.70224195  0.27232514
   0.10928457  0.82735002  0.03730015
   0.36554593  0.93943305  0.34368225
   0.39858736  0.91826133  0.15565104
   0.15106799  0.86329585  0.23000807
   0.31299121  0.64908522  0.45739535
   0.06916358  0.63370957  0.40815465
   0.15488445  0.56336378  0.58692908
   0.28860482  0.69194611  0.77712235
   0.10638837  0.83227567  0.52169764
   0.36913583  0.99173496  0.79356548
   0.46878181  0.88201925  0.63987464
   0.20834801  0.90109559  0.67652450
   0.25417710  0.63601365 -0.04027078
  -0.00829037  0.63843252  0.93397432
   0.59906129  0.07073820  0.09936264
   0.81898360  0.24006615  0.28139667
   0.61006537  0.30994540  0.02181459
   0.93019082  0.45981706  0.35187936
   0.00862520  0.35646844  0.18929506
   0.74764008  0.43281418  0.14294326
   0.76282909  0.18438172  0.45565097
   0.51569110  0.10196252  0.43286015
   0.64558041  0.06385445  0.59186235
   0.83508800  0.20509656  0.79954468
   0.56857270  0.33104624  0.53322093
   0.84788772  0.44926715  0.85845470
   0.94646872  0.39490760  0.64754919
   0.69422802  0.40855226  0.69661725
   0.78886729  0.11517941  0.97935695
   0.54550984  0.11016995  0.90895562
   0.54526276  0.56950385  0.06862035
   0.85771854  0.72657808  0.29694085
   0.57431180  0.84170388  0.03444755
   0.85172002  0.98865293  0.33942424
   0.90933489  0.87616158  0.16581507
   0.65844770  0.89307015  0.22558177
   0.80317891  0.62404793  0.46108610
   0.55412266  0.56721139  0.37551471
   0.59433118  0.60292199  0.57016814
   0.83035925  0.69687830  0.79643993
   0.61663161  0.81300776  0.42634267
   0.88818487  0.93688830  0.86343794
   0.93459713  0.87272348  0.67360499
   0.69527524  0.92020112  0.73645428
   0.73592664  0.64878246  0.96871800
   0.48957641  0.67795034  0.90375069
   0.69772755  0.83019769  0.56179619
   0.53423146  0.85278808  0.40484008
   0.86711407  0.21250309  0.09859475
   0.96663738  0.42253020  0.28952245
   0.32707818  0.11609512  0.63149199
   0.23306855  0.75680249  0.75587905
   0.05796214  1.14043107  0.15995662
   0.28825835  1.09451447  0.03924381
   0.61821562  0.32982114  0.84976016
   0.87069471  0.45895928  0.62071940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983848    0.402681    0.016204
    -0.000000    9.884797    0.151328
    -0.000000    0.000000   13.954553
   Si   O    H 
    32    64    10
Direct configuration=   833
   0.17817081  0.17211555 -0.02464478
   0.36582314  0.09613277  0.37535740
   0.11803182  0.41215622  0.11006113
   0.37836983  0.35219522  0.24596795
   0.11140757  0.16957589  0.49828704
   0.41370623  0.14153711  0.83641629
   0.09866394  0.41789342  0.61366042
   0.34474515  0.39450924  0.74166605
   0.10444997  0.67226192  0.00322175
   0.39395332  0.59656460  0.36367727
   0.06026435  0.90712868  0.13824253
   0.31663775  0.86305750  0.24823142
   0.16746250  0.67535682  0.49704061
   0.35269753  0.62730496  0.86958650
   0.06531666  0.92571991  0.61500110
   0.35368906  0.97938280  0.67920695
   0.63219611  0.15089618  1.00083312
   0.85933183  0.14946100  0.37284851
   0.60029131  0.42027128  0.10915722
   0.85514686  0.31093829  0.17770615
   0.62413878  0.16988785  0.50800273
   0.89229194  0.10088031  0.88545216
   0.57384852  0.45143215  0.61381499
   0.74844162  0.34755845  0.80220142
   0.59016831  0.68796854 -0.00791357
   0.91508149  0.61909632  0.37362845
   0.56589350  0.92277508  0.13571480
   0.81126605  0.87892838  0.26077281
   0.64215427  0.65368385  0.45987722
   0.85250516  0.60647158  0.89373785
   0.62909339  0.90879624  0.63362069
   0.83792148  0.85662573  0.77284126
   0.07344216  0.06715940  0.11060590
   0.36050877  0.20377488  0.29397559
   0.11568992  0.31683338  0.01936202
   0.33359996  0.44975089  0.33361052
   0.52985153  0.35937201  0.19966047
   0.27439917  0.36965572  0.16218451
   0.25311042  0.10113722  0.45748492
   0.00269305  0.18174239  0.41892973
   0.04935094  0.08127502  0.58894083
   0.43807515  0.25246387  0.75894150
   0.14856816  0.31789786  0.52652862
   0.37526504  0.46115259  0.84908856
   0.42126502  0.46880422  0.65686513
   0.19233539  0.37987797  0.70903672
   0.28245659  0.21002738 -0.11268934
   0.04456362  0.11026983  0.91453331
   0.09440926  0.56189449  0.08909975
   0.37035186  0.70482381  0.27336201
   0.11039343  0.82730314  0.03693246
   0.36645637  0.93905988  0.34361063
   0.39656832  0.91751518  0.15525547
   0.15149531  0.86310895  0.23086379
   0.31215500  0.64990595  0.45617855
   0.06960080  0.63214828  0.40739948
   0.15484779  0.56633679  0.58755759
   0.28776592  0.69252372  0.77748816
   0.10706192  0.83286653  0.52336660
   0.36938934  0.99180622  0.79293843
   0.46956648  0.88213478  0.63993084
   0.20704339  0.90237962  0.67700480
   0.25378078  0.63651587 -0.04102078
  -0.00954795  0.63871492  0.93429982
   0.59902318  0.07292479  0.09932872
   0.81871609  0.23906392  0.28116732
   0.61028372  0.30974961  0.02052779
   0.93080819  0.46005508  0.35178201
   0.00787399  0.35560006  0.19019508
   0.74916132  0.43160522  0.14367364
   0.76237170  0.18408947  0.45703230
   0.51434474  0.10289539  0.43269925
   0.64485531  0.06294702  0.59403741
   0.83394897  0.20510943  0.79849231
   0.56824115  0.33077704  0.53305327
   0.84641559  0.45080710  0.85915396
   0.94510117  0.39544639  0.64770628
   0.69621841  0.40866947  0.69743508
   0.78744147  0.11460028  0.97865818
   0.54629476  0.10969461  0.90862950
   0.54420069  0.56769882  0.06896692
   0.85695124  0.72671776  0.29745967
   0.57448196  0.84340442  0.03371888
   0.85099899  0.98933540  0.34060537
   0.91233391  0.87615325  0.16757138
   0.65863556  0.89278256  0.22491697
   0.80421470  0.62333857  0.46047768
   0.55387115  0.56790438  0.37647473
   0.59495967  0.60288425  0.57065490
   0.82847247  0.69798583  0.79628928
   0.61525367  0.81139184  0.42581862
   0.88940965  0.93830968  0.86276307
   0.93610677  0.87284270  0.67402456
   0.69452431  0.92149148  0.73635974
   0.73654644  0.64836328  0.96998958
   0.49113307  0.67885259  0.90451596
   0.70322293  0.82756231  0.55848754
   0.53738746  0.85743668  0.40111748
   0.86435738  0.20670520  0.09848954
   0.97231946  0.42086641  0.28600274
   0.32898131  0.10768492  0.63490521
   0.22452630  0.76811511  0.75641729
   0.06139207  1.14644696  0.15775328
   0.28455738  1.09309037  0.04067225
   0.61790644  0.33382541  0.84639098
   0.87861277  0.45644954  0.62611042
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983375    0.402928    0.016261
    -0.000000    9.884160    0.154640
    -0.000000    0.000000   13.954409
   Si   O    H 
    32    64    10
Direct configuration=   834
   0.17823063  0.17187533 -0.02432389
   0.36519111  0.09570175  0.37544531
   0.11619415  0.41254227  0.10981698
   0.37767154  0.35298649  0.24602990
   0.11309476  0.16837918  0.49861635
   0.41439044  0.14012214  0.83734136
   0.10023030  0.41712597  0.61342762
   0.34491684  0.39448879  0.74136064
   0.10613055  0.67188788  0.00323589
   0.39211377  0.59601257  0.36405557
   0.06028521  0.90812674  0.13820370
   0.31650928  0.86334849  0.24845278
   0.16657958  0.67657858  0.49699532
   0.35232052  0.62902013  0.86978299
   0.06546869  0.92576609  0.61499911
   0.35351827  0.97973285  0.67910592
   0.63275909  0.15028143  1.00092594
   0.86032188  0.14986583  0.37264899
   0.59981139  0.42137690  0.10893675
   0.85554841  0.31149222  0.17671113
   0.62405140  0.16885453  0.50786616
   0.89240550  0.10201894  0.88455608
   0.57470620  0.45183532  0.61453977
   0.74767340  0.34631769  0.80162687
   0.59011457  0.68710772 -0.00845852
   0.91672138  0.62038608  0.37319433
   0.56572782  0.92247848  0.13442217
   0.81273447  0.87889493  0.26011741
   0.64268159  0.65415579  0.45942208
   0.85083544  0.60661936  0.89304116
   0.62875900  0.90785437  0.63373917
   0.83812759  0.85707902  0.77129394
   0.07305185  0.06666616  0.11180999
   0.36027078  0.20576306  0.29267928
   0.11656800  0.31714934  0.01876775
   0.33312557  0.44942125  0.33450441
   0.52880621  0.36198765  0.20023884
   0.27389933  0.36954408  0.16184524
   0.25378055  0.10263271  0.45773657
   0.00389850  0.18372054  0.41999399
   0.04843582  0.08186786  0.58708106
   0.43771037  0.25405331  0.75840558
   0.14898014  0.31749168  0.52722839
   0.37537850  0.46173133  0.84757431
   0.42280104  0.46648059  0.65821390
   0.19400930  0.38017189  0.70952775
   0.28137201  0.20985139 -0.11274360
   0.04556553  0.11074117  0.91602763
   0.09393366  0.56243369  0.09098886
   0.36936736  0.70817600  0.27435700
   0.11086829  0.82830162  0.03675390
   0.36771208  0.93937112  0.34397771
   0.39484145  0.91738756  0.15452629
   0.15245281  0.86284708  0.23189181
   0.31187385  0.65027279  0.45534094
   0.06992259  0.63168859  0.40697311
   0.15475740  0.56881981  0.58841039
   0.28677694  0.69382538  0.77792102
   0.10739647  0.83276533  0.52440551
   0.37040164  0.99255592  0.79270929
   0.47069805  0.88270818  0.64027914
   0.20552648  0.90357122  0.67717892
   0.25250959  0.63671020 -0.04215990
  -0.01093714  0.63835428  0.93533280
   0.59885561  0.07540558  0.09932381
   0.81809105  0.23807042  0.28050142
   0.61114160  0.30885553  0.01955391
   0.93231829  0.45991131  0.35120987
   0.00697941  0.35521177  0.19043207
   0.75089782  0.43126758  0.14424368
   0.76211566  0.18382981  0.45852667
   0.51359123  0.10373363  0.43275004
   0.64469606  0.06244217  0.59651728
   0.83330917  0.20424710  0.79796721
   0.56836220  0.33064772  0.53227744
   0.84518824  0.45161337  0.86034685
   0.94404224  0.39547734  0.64760717
   0.69786368  0.40901589  0.69772424
   0.78758676  0.11385451  0.97744695
   0.54628392  0.10937781  0.90810039
   0.54316212  0.56637893  0.06940933
   0.85645108  0.72698651  0.29708306
   0.57513770  0.84456013  0.03305235
   0.85053654  0.99017777  0.34125870
   0.91442263  0.87588612  0.16882216
   0.65884793  0.89301108  0.22445762
   0.80515714  0.62311259  0.46033021
   0.55429634  0.56869217  0.37697705
   0.59556945  0.60225350  0.57078710
   0.82610749  0.69851110  0.79622762
   0.61447617  0.80986737  0.42529736
   0.89018586  0.93970282  0.86142884
   0.93672596  0.87172150  0.67474787
   0.69351824  0.92233556  0.73652584
   0.73770161  0.64867778  0.97071231
   0.49256099  0.67888582  0.90466454
   0.70678106  0.82294983  0.55916233
   0.53537899  0.86287370  0.39456730
   0.86370294  0.20697849  0.10228580
   0.97609086  0.42259582  0.28926525
   0.33111429  0.10559534  0.63701799
   0.21955958  0.77653461  0.75615019
   0.06443359  1.14230643  0.15212240
   0.27929908  1.09511608  0.03919105
   0.61880808  0.33786136  0.84505134
   0.87618939  0.46036785  0.62794259
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983196    0.403018    0.015757
    -0.000000    9.883306    0.157180
    -0.000000    0.000000   13.954094
   Si   O    H 
    32    64    10
Direct configuration=   835
   0.17850309  0.17246540 -0.02381613
   0.36500439  0.09568471  0.37603269
   0.11436275  0.41315356  0.10976065
   0.37683765  0.35383819  0.24620533
   0.11500350  0.16719691  0.49855051
   0.41522355  0.13802792  0.83789530
   0.10203967  0.41630489  0.61317653
   0.34502352  0.39434891  0.74110423
   0.10770995  0.67149450  0.00340992
   0.39010752  0.59533294  0.36401202
   0.06021931  0.90890631  0.13801684
   0.31638325  0.86344812  0.24834321
   0.16481382  0.67781357  0.49686690
   0.35200344  0.63070650  0.87039564
   0.06566598  0.92534731  0.61519105
   0.35286727  0.98016044  0.67825981
   0.63336049  0.14987849  1.00062103
   0.86145746  0.15072731  0.37220363
   0.59945870  0.42211560  0.10842563
   0.85587731  0.31155181  0.17624096
   0.62406610  0.16736911  0.50801085
   0.89255658  0.10335693  0.88371183
   0.57496050  0.45155600  0.61491710
   0.74757288  0.34516616  0.80162925
   0.58963697  0.68587945 -0.00838435
   0.91801546  0.62141760  0.37277888
   0.56530163  0.92313331  0.13295554
   0.81412526  0.87876646  0.25988332
   0.64370956  0.65391209  0.45909516
   0.84881027  0.60711412  0.89256648
   0.62862985  0.90732550  0.63336471
   0.83810400  0.85744700  0.76994098
   0.07222207  0.06583218  0.11250883
   0.36001989  0.20697468  0.29166662
   0.11712931  0.31800491  0.01827818
   0.33353299  0.44915357  0.33493270
   0.52777225  0.36394001  0.20156257
   0.27290703  0.36993127  0.16145312
   0.25365001  0.10351154  0.45853123
   0.00426825  0.18461153  0.42016727
   0.04762724  0.08300450  0.58491194
   0.43798486  0.25546036  0.75737692
   0.14928580  0.31706705  0.52825424
   0.37567936  0.46317080  0.84575399
   0.42441844  0.46384749  0.65851982
   0.19515583  0.37965749  0.70951154
   0.28047027  0.20898534 -0.11223918
   0.04570449  0.11109754  0.91759354
   0.09291369  0.56441678  0.09211087
   0.36784993  0.71097374  0.27582493
   0.11120507  0.82895811  0.03703146
   0.36913868  0.93948800  0.34461634
   0.39383791  0.91668300  0.15390939
   0.15332826  0.86231196  0.23305296
   0.31216978  0.65108157  0.45470271
   0.07101478  0.63113482  0.40686132
   0.15474566  0.57102617  0.58900226
   0.28581514  0.69542975  0.77752127
   0.10814439  0.83294997  0.52491575
   0.37125354  0.99322634  0.79256646
   0.47185746  0.88310274  0.64048666
   0.20423890  0.90468288  0.67719743
   0.25108711  0.63728879 -0.04298436
  -0.01223738  0.63866068  0.93592343
   0.59838074  0.07759763  0.10003412
   0.81706031  0.23744742  0.27979310
   0.61208325  0.30830267  0.01904060
   0.93372216  0.45985376  0.35027387
   0.00568171  0.35559925  0.19017696
   0.75314989  0.43189077  0.14441233
   0.76272686  0.18327882  0.46025298
   0.51241984  0.10396755  0.43310814
   0.64434853  0.06269639  0.59835482
   0.83272680  0.20433264  0.79783292
   0.56893780  0.32974269  0.53224909
   0.84370505  0.45213918  0.86090554
   0.94310530  0.39540503  0.64764455
   0.69960495  0.40953868  0.69809553
   0.78814991  0.11224325  0.97589633
   0.54677279  0.10877068  0.90754925
   0.54220801  0.56497066  0.06994502
   0.85561809  0.72752793  0.29705608
   0.57559765  0.84426388  0.03284871
   0.84994382  0.99085385  0.34220740
   0.91586520  0.87520268  0.16971088
   0.65857464  0.89327757  0.22422469
   0.80566070  0.62258557  0.46009478
   0.55447330  0.56958925  0.37749626
   0.59719511  0.60176627  0.57042832
   0.82392079  0.69909401  0.79654620
   0.61322452  0.80849720  0.42491174
   0.89038561  0.94070734  0.86019849
   0.93615309  0.87013266  0.67482895
   0.69229685  0.92343131  0.73753442
   0.73936731  0.64900708  0.97068935
   0.49366540  0.67835573  0.90465785
   0.70799920  0.82296752  0.56276323
   0.54036822  0.85984165  0.39094491
   0.86202197  0.20798802  0.10675288
   0.97620108  0.42747130  0.29589724
   0.33151617  0.11342279  0.63476661
   0.22348698  0.77893191  0.75878797
   0.06366543  1.14060632  0.15086172
   0.27301695  1.09463645  0.03341889
   0.62036847  0.34360467  0.84580809
   0.87014241  0.46613372  0.62955092
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982769    0.403679    0.015353
    -0.000000    9.882963    0.160153
    -0.000000    0.000000   13.954127
   Si   O    H 
    32    64    10
Direct configuration=   836
   0.17842211  0.17299872 -0.02353607
   0.36541857  0.09609229  0.37707503
   0.11326019  0.41276937  0.11002630
   0.37659126  0.35470600  0.24657764
   0.11709946  0.16657654  0.49856757
   0.41536113  0.13604104  0.83812889
   0.10376743  0.41561255  0.61334280
   0.34485808  0.39414822  0.74173414
   0.10896577  0.67157686  0.00350877
   0.38792193  0.59514509  0.36386756
   0.06099973  0.90889437  0.13765451
   0.31655270  0.86321852  0.24824708
   0.16275114  0.67883890  0.49688401
   0.35168440  0.63153189  0.87088329
   0.06571628  0.92470805  0.61537421
   0.35218782  0.98063403  0.67762858
   0.63412750  0.14984934  1.00039988
   0.86289253  0.15126116  0.37198431
   0.59944939  0.42235091  0.10803486
   0.85525979  0.31092636  0.17555221
   0.62364403  0.16604059  0.50792436
   0.89297401  0.10465358  0.88316584
   0.57511573  0.45131851  0.61548832
   0.74804509  0.34414366  0.80123285
   0.58844675  0.68479767 -0.00845184
   0.91881347  0.62194253  0.37268267
   0.56434969  0.92376576  0.13176771
   0.81523188  0.87887996  0.26007838
   0.64454737  0.65375275  0.45825957
   0.84729241  0.60706940  0.89247062
   0.62920285  0.90725855  0.63276833
   0.83818038  0.85732757  0.76826844
   0.07145157  0.06414972  0.11235426
   0.35868614  0.20778659  0.29050377
   0.11807815  0.31961878  0.01736096
   0.33374088  0.45013107  0.33526340
   0.52633292  0.36564599  0.20262014
   0.27162747  0.37082277  0.16029493
   0.25351196  0.10512028  0.45938115
   0.00453331  0.18527373  0.41987754
   0.04741232  0.08373746  0.58288969
   0.43807829  0.25644509  0.75598847
   0.14875271  0.31707260  0.52937892
   0.37530275  0.46462089  0.84387281
   0.42637849  0.46277095  0.65865484
   0.19561478  0.37954735  0.71001268
   0.27996151  0.20708624 -0.11177326
   0.04544718  0.11145788  0.91909753
   0.09230621  0.56793563  0.09350191
   0.36671643  0.71346019  0.27750227
   0.11135686  0.82951581  0.03735440
   0.37130028  0.94046820  0.34447067
   0.39294248  0.91644712  0.15363185
   0.15443028  0.86208184  0.23411624
   0.31194712  0.65274520  0.45454562
   0.07224899  0.63106238  0.40684075
   0.15405664  0.57314289  0.58904225
   0.28478952  0.69715152  0.77646839
   0.10938550  0.83298252  0.52478107
   0.37224421  0.99506951  0.79284322
   0.47339395  0.88339543  0.64072324
   0.20384242  0.90588335  0.67768111
   0.24873707  0.63888175 -0.04337833
  -0.01265402  0.63891803  0.93620111
   0.59736157  0.07871083  0.10010624
   0.81601119  0.23699572  0.27859255
   0.61221365  0.30884886  0.01857883
   0.93410399  0.45995297  0.34959337
   0.00455420  0.35647856  0.18983955
   0.75554617  0.43229810  0.14468974
   0.76373236  0.18311885  0.46127814
   0.51110547  0.10474537  0.43303375
   0.64418691  0.06319126  0.60037183
   0.83355147  0.20404744  0.79751292
   0.56957577  0.32848010  0.53179656
   0.84206520  0.45218962  0.86153933
   0.94253764  0.39566557  0.64766201
   0.70140381  0.41052415  0.69742884
   0.78751777  0.11164197  0.97438448
   0.54683025  0.10828795  0.90602755
   0.54094878  0.56393140  0.06997323
   0.85458893  0.72853117  0.29695482
   0.57621346  0.84277360  0.03265465
   0.84921280  0.99108071  0.34337095
   0.91685700  0.87410117  0.17009838
   0.65810511  0.89389963  0.22388614
   0.80601399  0.62244043  0.46013575
   0.55509716  0.57015846  0.37848311
   0.59920021  0.60102700  0.57007669
   0.82176365  0.69940208  0.79687585
   0.61209379  0.80736667  0.42425473
   0.89119424  0.94105000  0.85902730
   0.93691207  0.86901627  0.67491496
   0.69173808  0.92347118  0.73821667
   0.74097081  0.64950640  0.97031368
   0.49415211  0.67778163  0.90431571
   0.70849051  0.82422075  0.56835470
   0.54694477  0.85248647  0.38907897
   0.85894472  0.20662255  0.11050833
   0.98277855  0.43329457  0.29708190
   0.33186468  0.12206629  0.62980357
   0.23157088  0.77760529  0.76141948
   0.06091712  1.14770920  0.15851797
   0.26806066  1.09404576  0.02813281
   0.62021040  0.34804742  0.84754343
   0.86742634  0.46542161  0.62951534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982210    0.404609    0.014622
    -0.000000    9.882654    0.163278
    -0.000000    0.000000   13.954352
   Si   O    H 
    32    64    10
Direct configuration=   837
   0.17812427  0.17410229 -0.02352585
   0.36617948  0.09693503  0.37799002
   0.11268751  0.41180819  0.11035519
   0.37666246  0.35538345  0.24679195
   0.11881178  0.16675497  0.49850113
   0.41545013  0.13391236  0.83845136
   0.10570438  0.41504049  0.61381264
   0.34459471  0.39420142  0.74214628
   0.11037558  0.67168965  0.00366965
   0.38639089  0.59498992  0.36372322
   0.06231197  0.90830389  0.13763437
   0.31699002  0.86282204  0.24784535
   0.16050915  0.67971072  0.49660813
   0.35116974  0.63223610  0.87139209
   0.06523907  0.92334688  0.61578067
   0.35146371  0.98092365  0.67737112
   0.63593078  0.15004882  1.00028290
   0.86462272  0.15227600  0.37183655
   0.59985054  0.42175554  0.10766771
   0.85429912  0.31023047  0.17527909
   0.62273953  0.16517893  0.50773969
   0.89302186  0.10546677  0.88301623
   0.57571050  0.45046833  0.61603425
   0.74841660  0.34351884  0.80054177
   0.58673446  0.68302958 -0.00733754
   0.91942458  0.62247736  0.37302545
   0.56291678  0.92456322  0.13082541
   0.81679743  0.87942917  0.26043917
   0.64529831  0.65333405  0.45760146
   0.84566473  0.60683785  0.89207000
   0.62986786  0.90769529  0.63231038
   0.83735716  0.85814158  0.76696315
   0.07052404  0.06337519  0.11265640
   0.35709236  0.20773061  0.28974551
   0.11940112  0.31964911  0.01665335
   0.33366233  0.45161786  0.33536061
   0.52425935  0.36812313  0.20417379
   0.26919704  0.37228662  0.15908870
   0.25296014  0.10615553  0.46002514
   0.00416629  0.18486611  0.41930509
   0.04667396  0.08355831  0.58103019
   0.43760184  0.25695098  0.75454782
   0.14858140  0.31726721  0.53093202
   0.37484548  0.46561275  0.84264547
   0.42891533  0.46280035  0.65787828
   0.19583541  0.37878114  0.70984969
   0.27993563  0.20556508 -0.11151530
   0.04433352  0.11224484  0.92013868
   0.09193059  0.57161245  0.09464319
   0.36543832  0.71514250  0.27917376
   0.11111163  0.83006226  0.03758568
   0.37294990  0.94140555  0.34439419
   0.39279640  0.91644109  0.15383846
   0.15586197  0.86188982  0.23541980
   0.31164677  0.65470912  0.45533903
   0.07311254  0.63144169  0.40667063
   0.15284853  0.57454018  0.58892303
   0.28404482  0.69856473  0.77570989
   0.11071802  0.83304760  0.52475765
   0.37372063  0.99700057  0.79326721
   0.47416235  0.88360281  0.64059794
   0.20420209  0.90782257  0.67802150
   0.24656204  0.64020422 -0.04342625
  -0.01326035  0.63897081  0.93652096
   0.59545693  0.07952684  0.10011119
   0.81485789  0.23683651  0.27733817
   0.61216062  0.30935463  0.01774284
   0.93321775  0.46059038  0.34953806
   0.00453366  0.35710091  0.18949398
   0.75802483  0.43316055  0.14476826
   0.76465091  0.18254602  0.46182633
   0.50944459  0.10567891  0.43333143
   0.64465470  0.06471391  0.60158063
   0.83410465  0.20308960  0.79724308
   0.57004814  0.32677862  0.53164407
   0.84051253  0.45226824  0.86199944
   0.94275621  0.39605921  0.64794904
   0.70307445  0.41142432  0.69604779
   0.78713535  0.11087483  0.97251586
   0.54721065  0.10784472  0.90478220
   0.54093209  0.56353161  0.06965977
   0.85305224  0.72979313  0.29615996
   0.57748409  0.84072890  0.03232450
   0.84805866  0.99150163  0.34377329
   0.91736208  0.87335725  0.17031360
   0.65771105  0.89381076  0.22394228
   0.80644661  0.62249077  0.46024947
   0.55601710  0.57074388  0.37947240
   0.60097162  0.60085684  0.56916651
   0.82088934  0.70087501  0.79731348
   0.61144262  0.80572571  0.42375245
   0.89222666  0.94185290  0.85781978
   0.93761400  0.86868058  0.67514878
   0.69139754  0.92361374  0.73960143
   0.74241719  0.65013284  0.97015454
   0.49507105  0.67706233  0.90398846
   0.71186519  0.82443265  0.57628946
   0.54115075  0.85230048  0.38237211
   0.85770368  0.20093725  0.11133766
   0.99730806  0.43716566  0.29033252
   0.33293988  0.12356590  0.62394471
   0.23302056  0.77626343  0.76450757
   0.06311873  1.14169170  0.16205539
   0.26842203  1.09045932  0.02622681
   0.62117521  0.35024984  0.84944317
   0.86751032  0.45761260  0.63143542
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981821    0.405946    0.013667
    -0.000000    9.882743    0.165741
    -0.000000    0.000000   13.954355
   Si   O    H 
    32    64    10
Direct configuration=   838
   0.17754106  0.17517962 -0.02386851
   0.36739441  0.09796717  0.37882542
   0.11258014  0.41093559  0.11073007
   0.37617965  0.35551938  0.24661778
   0.11999639  0.16788758  0.49800039
   0.41510358  0.13242526  0.83891121
   0.10743465  0.41501732  0.61484674
   0.34437714  0.39415059  0.74275378
   0.11086356  0.67244029  0.00379754
   0.38562946  0.59452442  0.36343918
   0.06308030  0.90789343  0.13747135
   0.31766518  0.86196408  0.24743840
   0.15737759  0.68045868  0.49624439
   0.35126688  0.63210559  0.87122402
   0.06494566  0.92214724  0.61583817
   0.35008489  0.98137585  0.67718357
   0.63758135  0.15014525  0.99961968
   0.86609862  0.15283118  0.37205676
   0.59988711  0.42110074  0.10713142
   0.85291716  0.30919826  0.17477020
   0.62150398  0.16462422  0.50729065
   0.89325465  0.10629894  0.88308121
   0.57650476  0.44934437  0.61641482
   0.74869243  0.34337015  0.79998637
   0.58507392  0.68119040 -0.00611840
   0.91948753  0.62297882  0.37306457
   0.56154396  0.92572284  0.13003561
   0.81833677  0.87940144  0.26122925
   0.64603594  0.65260139  0.45683425
   0.84413911  0.60640033  0.89145536
   0.63093397  0.90854176  0.63175407
   0.83677239  0.85913606  0.76579306
   0.07013531  0.06400026  0.11316850
   0.35506743  0.20717692  0.28868869
   0.12019273  0.31965492  0.01621848
   0.33360727  0.45270862  0.33516702
   0.52315558  0.36972205  0.20561844
   0.26722060  0.37346094  0.15807893
   0.25200275  0.10660845  0.45939402
   0.00383917  0.18395650  0.41873698
   0.04579583  0.08325979  0.57960182
   0.43717315  0.25689500  0.75333365
   0.14831857  0.31761756  0.53231606
   0.37515109  0.46783135  0.84166522
   0.43169449  0.46374642  0.65732702
   0.19505130  0.37756611  0.70944751
   0.28048199  0.20420851 -0.11138248
   0.04349328  0.11319343  0.92117678
   0.09133252  0.57482511  0.09596487
   0.36514009  0.71613282  0.28069421
   0.11044191  0.83098544  0.03781622
   0.37464682  0.94209868  0.34439269
   0.39328900  0.91656265  0.15363514
   0.15712990  0.86228184  0.23672774
   0.31062706  0.65700402  0.45620786
   0.07381687  0.63201733  0.40732470
   0.15132083  0.57594787  0.58854662
   0.28368298  0.69920150  0.77508735
   0.11223938  0.83348932  0.52483483
   0.37466846  0.99824910  0.79320410
   0.47485793  0.88367974  0.63988479
   0.20481755  0.90976115  0.67816462
   0.24505742  0.64103539 -0.04415826
  -0.01369384  0.63890370  0.93712174
   0.59270922  0.07975322  0.10076851
   0.81386516  0.23630288  0.27626345
   0.61187999  0.30940276  0.01691168
   0.93301374  0.46089044  0.34981283
   0.00541223  0.35721493  0.18920716
   0.76043276  0.43404150  0.14455077
   0.76578859  0.18174461  0.46184230
   0.50799178  0.10661463  0.43336537
   0.64535934  0.06587340  0.60241052
   0.83404068  0.20286204  0.79696721
   0.57037344  0.32529084  0.53148135
   0.83946003  0.45262377  0.86210327
   0.94422973  0.39758712  0.64857137
   0.70433070  0.41184707  0.69430759
   0.78779508  0.11098226  0.97128642
   0.54753129  0.10789503  0.90384333
   0.54038079  0.56345238  0.06976040
   0.85129298  0.73065871  0.29466117
   0.57804948  0.83908872  0.03213974
   0.84625106  0.99167412  0.34387021
   0.91780056  0.87303635  0.17001848
   0.65801561  0.89382162  0.22419397
   0.80724471  0.62245892  0.46082242
   0.55692513  0.57105649  0.38056651
   0.60298617  0.60002956  0.56829828
   0.81956627  0.70201447  0.79750102
   0.61082108  0.80463337  0.42398533
   0.89412269  0.94219282  0.85657759
   0.93916883  0.86908859  0.67519932
   0.69157173  0.92417155  0.74110232
   0.74317491  0.65029422  0.97056975
   0.49599862  0.67679838  0.90326568
   0.71725170  0.81907365  0.58120358
   0.53331295  0.84467538  0.37961757
   0.85673906  0.19366249  0.11077739
   1.00411076  0.44316854  0.29334606
   0.34003136  0.12125074  0.61950780
   0.22940893  0.78511005  0.76616353
   0.06325158  1.12876926  0.16303402
   0.27189741  1.08292554  0.02983706
   0.61888306  0.35604838  0.85628028
   0.86702089  0.44964826  0.63239080
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981158    0.407357    0.012946
    -0.000000    9.882886    0.168220
    -0.000000    0.000000   13.953973
   Si   O    H 
    32    64    10
Direct configuration=   839
   0.17649129  0.17561486 -0.02421731
   0.36851835  0.09928766  0.37957970
   0.11295704  0.41007403  0.11119797
   0.37545269  0.35604049  0.24631416
   0.12089325  0.16857080  0.49803528
   0.41452370  0.13173525  0.83927024
   0.10882790  0.41511844  0.61576419
   0.34465222  0.39392042  0.74362512
   0.11091574  0.67288412  0.00416731
   0.38563367  0.59403192  0.36313957
   0.06433489  0.90741486  0.13681069
   0.31849168  0.86137853  0.24686270
   0.15472871  0.68037572  0.49615549
   0.35071343  0.63223623  0.87027071
   0.06460754  0.92147180  0.61579317
   0.34901312  0.98195623  0.67701243
   0.63871827  0.15028031  0.99887239
   0.86745552  0.15266542  0.37210915
   0.59961659  0.42029739  0.10670509
   0.85138913  0.30761916  0.17476912
   0.62010173  0.16437808  0.50676454
   0.89344115  0.10632621  0.88314209
   0.57733133  0.44847136  0.61626273
   0.74840564  0.34369911  0.79961702
   0.58333473  0.67960110 -0.00475037
   0.91975438  0.62356619  0.37305705
   0.56006043  0.92664440  0.12985429
   0.81965534  0.87926513  0.26181667
   0.64688474  0.65154435  0.45623015
   0.84298855  0.60601152  0.89084273
   0.63216183  0.90873269  0.63150156
   0.83613475  0.86021379  0.76445322
   0.07015322  0.06464170  0.11317698
   0.35337162  0.20609209  0.28741128
   0.12074571  0.32107189  0.01565236
   0.33322497  0.45356823  0.33585232
   0.52118225  0.37160322  0.20645383
   0.26525050  0.37496491  0.15730503
   0.25141527  0.10670866  0.45862938
   0.00354969  0.18277699  0.41827542
   0.04509250  0.08192387  0.57854169
   0.43764875  0.25631016  0.75284714
   0.14859674  0.31844486  0.53358911
   0.37493370  0.47065985  0.84104927
   0.43299788  0.46524098  0.65683799
   0.19420947  0.37662668  0.70910689
   0.28102462  0.20274708 -0.11092990
   0.04363652  0.11449162  0.92207312
   0.09022319  0.57679369  0.09755468
   0.36410597  0.71558530  0.28196778
   0.10997712  0.83170838  0.03804899
   0.37545612  0.94337957  0.34433853
   0.39380438  0.91615607  0.15359264
   0.15723061  0.86216272  0.23784148
   0.30998523  0.65904005  0.45749651
   0.07426825  0.63286059  0.40774823
   0.14950883  0.57636060  0.58859237
   0.28284390  0.70033915  0.77450229
   0.11333482  0.83356899  0.52471508
   0.37508945  0.99859612  0.79284395
   0.47549251  0.88357633  0.63921290
   0.20685993  0.91124991  0.67809034
   0.24391202  0.64152362 -0.04510175
  -0.01443402  0.63904143  0.93818196
   0.58974350  0.07922453  0.10129235
   0.81295251  0.23483199  0.27564219
   0.61191039  0.30914091  0.01674569
   0.93367515  0.46201598  0.34987245
   0.00588263  0.35725893  0.18891985
   0.76232750  0.43499757  0.14467298
   0.76724694  0.18018371  0.46164832
   0.50717920  0.10761959  0.43388167
   0.64618238  0.06655527  0.60284357
   0.83341494  0.20225720  0.79615107
   0.57073708  0.32391952  0.53143846
   0.83865228  0.45309217  0.86224341
   0.94649945  0.39879673  0.64884906
   0.70527246  0.41217827  0.69223988
   0.78882055  0.11174743  0.97023184
   0.54858100  0.10733087  0.90267824
   0.53952874  0.56335489  0.06984383
   0.84931696  0.73040976  0.29348077
   0.57865047  0.83780652  0.03183538
   0.84454245  0.99155253  0.34403884
   0.91831437  0.87236188  0.16980197
   0.65824650  0.89371785  0.22447596
   0.80840750  0.62304202  0.46087748
   0.55724279  0.56993459  0.38066559
   0.60478800  0.59912630  0.56695653
   0.81922024  0.70299421  0.79739447
   0.60934366  0.80438540  0.42371475
   0.89490697  0.94167332  0.85547941
   0.94061239  0.87078972  0.67528355
   0.69110496  0.92437219  0.74271212
   0.74335445  0.65113357  0.97091348
   0.49617096  0.67647471  0.90213346
   0.72330772  0.81133684  0.58338686
   0.53743988  0.83047138  0.38222060
   0.85650268  0.18789110  0.11008252
   1.00468532  0.45116563  0.30364238
   0.34768439  0.11330389  0.61812384
   0.22879983  0.78808475  0.77033392
   0.06160088  1.12082527  0.16748991
   0.27379157  1.07675947  0.03194122
   0.61661334  0.36012971  0.86010095
   0.86073853  0.44584192  0.63182478
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980522    0.408719    0.012246
    -0.000000    9.883102    0.171018
    -0.000000    0.000000   13.953764
   Si   O    H 
    32    64    10
Direct configuration=   840
   0.17499503  0.17541099 -0.02496949
   0.36973984  0.10070397  0.38014068
   0.11391378  0.40952487  0.11142501
   0.37457281  0.35682013  0.24589087
   0.12145091  0.16944536  0.49794134
   0.41456515  0.13160485  0.84007901
   0.10913458  0.41573324  0.61693912
   0.34447808  0.39412764  0.74426438
   0.11107194  0.67336575  0.00458682
   0.38560333  0.59408041  0.36307467
   0.06591276  0.90629713  0.13653734
   0.31912027  0.86114227  0.24636074
   0.15185823  0.67943818  0.49624917
   0.34999871  0.63212788  0.86944185
   0.06357057  0.92049765  0.61546841
   0.34845999  0.98227948  0.67681159
   0.63947038  0.14981658  0.99835127
   0.86842192  0.15273630  0.37172597
   0.59991623  0.41930166  0.10665630
   0.84996026  0.30589362  0.17487696
   0.61912875  0.16460289  0.50688883
   0.89391155  0.10586721  0.88289446
   0.57828512  0.44745013  0.61579356
   0.74728620  0.34386026  0.79928170
   0.58197387  0.67902189 -0.00356908
   0.91958746  0.62372063  0.37321498
   0.55858244  0.92718876  0.12951042
   0.82027091  0.87934160  0.26219185
   0.64747659  0.65039541  0.45577076
   0.84241310  0.60561417  0.89051267
   0.63344097  0.90927522  0.63138192
   0.83510955  0.86089732  0.76344070
   0.06983552  0.06516879  0.11326164
   0.35230795  0.20490662  0.28655928
   0.12064743  0.32227148  0.01527670
   0.33285312  0.45424812  0.33635046
   0.52004842  0.37404701  0.20696010
   0.26417655  0.37680266  0.15650641
   0.25112588  0.10639948  0.45704424
   0.00354708  0.18292986  0.41759925
   0.04502439  0.08020089  0.57732663
   0.43866392  0.25539060  0.75298893
   0.14899619  0.31883693  0.53419876
   0.37359762  0.47348580  0.84056745
   0.43315739  0.46712846  0.65666433
   0.19292190  0.37566089  0.70971641
   0.28146374  0.20153536 -0.11029398
   0.04407742  0.11609665  0.92280987
   0.08906167  0.57843610  0.09921989
   0.36325508  0.71468914  0.28294676
   0.10949408  0.83305608  0.03829387
   0.37556434  0.94538466  0.34351649
   0.39492405  0.91641764  0.15393985
   0.15726291  0.86227082  0.23852282
   0.30955096  0.66068833  0.45904369
   0.07471945  0.63409487  0.40777291
   0.14791652  0.57677322  0.58902254
   0.28214092  0.70146841  0.77354177
   0.11430479  0.83406167  0.52416823
   0.37549526  0.99916925  0.79210840
   0.47507817  0.88351111  0.63932849
   0.20795630  0.91329971  0.67808353
   0.24305740  0.64168331 -0.04639616
  -0.01440907  0.63900563  0.93884463
   0.58704556  0.07872240  0.10206581
   0.81207722  0.23337083  0.27561902
   0.61135072  0.30945488  0.01707436
   0.93346393  0.46368980  0.35009949
   0.00705330  0.35770581  0.18862158
   0.76419189  0.43598134  0.14513391
   0.76759340  0.17953449  0.46101060
   0.50694281  0.10904601  0.43433943
   0.64623746  0.06907494  0.60259946
   0.83188447  0.20170222  0.79560414
   0.57101985  0.32281890  0.53150336
   0.83773029  0.45280307  0.86232225
   0.94970227  0.40029562  0.64911441
   0.70555753  0.41269485  0.69041955
   0.78932520  0.11293530  0.96892079
   0.54924717  0.10735672  0.90224125
   0.53889631  0.56291428  0.07022584
   0.84834086  0.72889234  0.29291026
   0.57944268  0.83634964  0.03157296
   0.84291580  0.99141035  0.34369555
   0.91883081  0.87191139  0.16941650
   0.65936949  0.89443223  0.22405206
   0.81015890  0.62338483  0.46109177
   0.55643429  0.56816620  0.38054887
   0.60701382  0.59768640  0.56564890
   0.81911803  0.70405943  0.79672602
   0.60889265  0.80465533  0.42390703
   0.89522322  0.94148263  0.85410995
   0.94180131  0.87182763  0.67573667
   0.69041808  0.92320938  0.74431159
   0.74220727  0.65223785  0.97164146
   0.49594321  0.67677368  0.90112442
   0.72526449  0.80147400  0.58568364
   0.53460180  0.82194333  0.38223855
   0.85571103  0.18675303  0.11149910
   1.00627055  0.45660918  0.31114442
   0.35103418  0.09951856  0.61632575
   0.23215304  0.78788068  0.77561530
   0.06012910  1.12153847  0.17408899
   0.27332373  1.07664439  0.03288540
   0.61961632  0.36115404  0.86173444
   0.85710377  0.44346547  0.62992704
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980273    0.409981    0.011257
    -0.000000    9.883360    0.173890
    -0.000000    0.000000   13.953793
   Si   O    H 
    32    64    10
Direct configuration=   841
   0.17371155  0.17538238 -0.02556429
   0.37058998  0.10188759  0.38047029
   0.11532169  0.40950926  0.11175776
   0.37346403  0.35676365  0.24519170
   0.12105527  0.17035886  0.49787735
   0.41451942  0.13207195  0.84120907
   0.10865428  0.41644275  0.61792975
   0.34477263  0.39392175  0.74500968
   0.11066310  0.67351003  0.00524489
   0.38566576  0.59483546  0.36322323
   0.06716815  0.90514457  0.13657025
   0.31936060  0.86135570  0.24639219
   0.14993431  0.67868594  0.49643202
   0.34943262  0.63135411  0.86858992
   0.06329280  0.91940144  0.61488077
   0.34816417  0.98227567  0.67675394
   0.63983535  0.15014392  0.99764175
   0.86886594  0.15269716  0.37123866
   0.60052029  0.41831785  0.10705628
   0.84880359  0.30476810  0.17522683
   0.61857547  0.16473202  0.50690925
   0.89414066  0.10471055  0.88263090
   0.57931225  0.44657075  0.61526682
   0.74648242  0.34447305  0.79909650
   0.58116669  0.67824121 -0.00301110
   0.91890985  0.62342419  0.37324243
   0.55711825  0.92807870  0.12881442
   0.81981344  0.87965141  0.26258986
   0.64784405  0.64942242  0.45542753
   0.84200836  0.60519389  0.89030584
   0.63446495  0.90954871  0.63157025
   0.83403520  0.86170264  0.76278056
   0.06914342  0.06601495  0.11376560
   0.35173708  0.20315190  0.28631432
   0.12004773  0.32423246  0.01492299
   0.33170768  0.45455175  0.33637619
   0.52007743  0.37672254  0.20727028
   0.26314908  0.37828254  0.15559030
   0.25086821  0.10612249  0.45494740
   0.00380669  0.18363691  0.41750169
   0.04511405  0.07745943  0.57600027
   0.43962184  0.25393500  0.75307398
   0.14983558  0.31936972  0.53481852
   0.37192210  0.47572287  0.84040958
   0.43318577  0.46938845  0.65640911
   0.19260040  0.37442365  0.71063453
   0.28184901  0.20112821 -0.10970998
   0.04485321  0.11801180  0.92289239
   0.08823744  0.57865726  0.10128533
   0.36276320  0.71240105  0.28384389
   0.10966119  0.83447028  0.03866486
   0.37529757  0.94730248  0.34218057
   0.39621313  0.91667241  0.15416380
   0.15681404  0.86297238  0.23864147
   0.30837012  0.66179274  0.45982760
   0.07484934  0.63474082  0.40680838
   0.14681449  0.57660962  0.58940604
   0.28169040  0.70209840  0.77210304
   0.11389825  0.83377375  0.52316980
   0.37587318  0.99821831  0.79157731
   0.47399893  0.88364036  0.63918935
   0.20689699  0.91583636  0.67859856
   0.24342596  0.64131650 -0.04717258
  -0.01388665  0.63944942  0.93936609
   0.58378681  0.07896214  0.10286027
   0.81110678  0.23164948  0.27569663
   0.61046824  0.30974142  0.01726740
   0.93219034  0.46595594  0.35060619
   0.00807302  0.35841733  0.18766754
   0.76477247  0.43663439  0.14526008
   0.76764430  0.17927756  0.46077173
   0.50761680  0.11128224  0.43473905
   0.64654126  0.07119506  0.60218361
   0.83042613  0.20142121  0.79486475
   0.57049438  0.32213177  0.53258296
   0.83666630  0.45212501  0.86248215
   0.95176613  0.40157100  0.64929488
   0.70526799  0.41336487  0.68880950
   0.78992644  0.11396294  0.96856739
   0.55040673  0.10773637  0.90155588
   0.53884648  0.56264183  0.07060120
   0.84767406  0.72660525  0.29290082
   0.57992404  0.83475415  0.03199280
   0.84188008  0.99144952  0.34368075
   0.91904585  0.87183245  0.16910504
   0.66012748  0.89410998  0.22313666
   0.81218519  0.62338484  0.46145930
   0.55494380  0.56702924  0.38019727
   0.60871958  0.59625782  0.56470310
   0.81900761  0.70513461  0.79615487
   0.60904650  0.80549854  0.42396221
   0.89542745  0.94166183  0.85221235
   0.94195615  0.87199842  0.67560318
   0.68923445  0.92222499  0.74553794
   0.73995992  0.65374930  0.97209373
   0.49645540  0.67638823  0.90024725
   0.72709808  0.79954909  0.58677957
   0.53122161  0.81688618  0.37954472
   0.85538839  0.19275408  0.11329524
   1.02129070  0.45506073  0.30916360
   0.35339044  0.08946633  0.61325393
   0.23218313  0.78716108  0.77877121
   0.05773087  1.11678221  0.17400834
   0.27063627  1.08200567  0.03004515
   0.62584564  0.36079099  0.86166126
   0.86436326  0.43294200  0.63074172
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980214    0.411263    0.010242
    -0.000000    9.883053    0.176596
    -0.000000    0.000000   13.953558
   Si   O    H 
    32    64    10
Direct configuration=   842
   0.17292022  0.17554975 -0.02607706
   0.37177352  0.10286279  0.38050922
   0.11683726  0.40977808  0.11184244
   0.37206015  0.35627816  0.24434011
   0.12061866  0.17109017  0.49805977
   0.41421540  0.13261002  0.84194148
   0.10852295  0.41828846  0.61879916
   0.34485160  0.39415673  0.74573283
   0.10989673  0.67315600  0.00606702
   0.38528458  0.59648336  0.36360986
   0.06809579  0.90384576  0.13651627
   0.31992320  0.86176619  0.24739379
   0.14903062  0.67778379  0.49689314
   0.34916124  0.63073168  0.86793747
   0.06374260  0.91817497  0.61430449
   0.34834506  0.98235769  0.67667244
   0.63968509  0.15001647  0.99651142
   0.86903334  0.15240478  0.37069425
   0.60108335  0.41785143  0.10706986
   0.84832559  0.30323244  0.17565853
   0.61761605  0.16500274  0.50692397
   0.89439029  0.10340469  0.88221056
   0.58053179  0.44609795  0.61485114
   0.74557154  0.34517136  0.79878137
   0.58086373  0.67823105 -0.00237957
   0.91833155  0.62322853  0.37345114
   0.55577496  0.92824434  0.12796991
   0.81912392  0.87987292  0.26222338
   0.64828987  0.64850879  0.45553076
   0.84140532  0.60578648  0.89035693
   0.63507536  0.90998571  0.63168009
   0.83360484  0.86263448  0.76266518
   0.06812670  0.06725098  0.11433439
   0.35152638  0.20111797  0.28617731
   0.11939046  0.32625524  0.01419944
   0.33035422  0.45432732  0.33610404
   0.52038903  0.37899325  0.20689405
   0.26276984  0.37979470  0.15542209
   0.25139207  0.10588067  0.45266474
   0.00483608  0.18449852  0.41749148
   0.04478731  0.07422869  0.57446991
   0.44011855  0.25141416  0.75310218
   0.15048402  0.32015257  0.53549127
   0.37130398  0.47674521  0.83991775
   0.43192292  0.47201450  0.65699034
   0.19210254  0.37316114  0.71173083
   0.28205317  0.20043033 -0.10928816
   0.04490481  0.11926837  0.92282372
   0.08774245  0.57880053  0.10309015
   0.36226522  0.70920394  0.28488707
   0.11047960  0.83587118  0.03899946
   0.37557587  0.94817960  0.34046888
   0.39720988  0.91651149  0.15429056
   0.15682304  0.86485512  0.23818089
   0.30671459  0.66193419  0.46061396
   0.07413529  0.63510072  0.40504164
   0.14552907  0.57585108  0.58949095
   0.28170128  0.70328289  0.77070610
   0.11305470  0.83319865  0.52241985
   0.37579385  0.99691287  0.79102238
   0.47337314  0.88346099  0.63899841
   0.20535842  0.91805620  0.67861168
   0.24409187  0.64116190 -0.04775039
  -0.01341816  0.63919710  0.93972419
   0.58057102  0.08079060  0.10345118
   0.81031684  0.23002603  0.27609858
   0.60985896  0.31088811  0.01730481
   0.93099492  0.46817777  0.35063698
   0.00913850  0.35904582  0.18691906
   0.76524478  0.43682615  0.14567126
   0.76837559  0.17921740  0.46045928
   0.50895473  0.11346716  0.43534710
   0.64684343  0.07277162  0.60199537
   0.82922506  0.20115713  0.79438776
   0.56956085  0.32136757  0.53336413
   0.83559081  0.45069362  0.86211544
   0.95358230  0.40205106  0.65016050
   0.70540231  0.41331622  0.68791288
   0.79013940  0.11483794  0.96861691
   0.55244879  0.10887900  0.90099506
   0.53887880  0.56263638  0.07131530
   0.84725486  0.72407996  0.29272675
   0.57997648  0.83269768  0.03291318
   0.84113348  0.99144101  0.34340953
   0.91827526  0.87133703  0.16953613
   0.66065794  0.89394188  0.22218602
   0.81397780  0.62351150  0.46238981
   0.55343846  0.56601924  0.37947031
   0.61052223  0.59520682  0.56368466
   0.81925224  0.70523674  0.79562281
   0.60910115  0.80631553  0.42343637
   0.89559571  0.94203382  0.85015582
   0.94135951  0.87153377  0.67531852
   0.68720141  0.92171002  0.74602432
   0.73807720  0.65529065  0.97219416
   0.49683449  0.67643776  0.89896027
   0.72393620  0.80270084  0.58826521
   0.52859859  0.81524720  0.37612754
   0.85277533  0.19759583  0.11226925
   1.02026518  0.45494406  0.30866666
   0.35573560  0.09018119  0.60866342
   0.23335080  0.78735559  0.77932016
   0.05430080  1.11185898  0.17164794
   0.26791434  1.08763724  0.02798703
   0.63322246  0.35543745  0.85902906
   0.86668568  0.42026586  0.62962224
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980171    0.412981    0.008720
    -0.000000    9.882913    0.179470
    -0.000000    0.000000   13.953439
   Si   O    H 
    32    64    10
Direct configuration=   843
   0.17213665  0.17518686 -0.02682021
   0.37305028  0.10355293  0.38103244
   0.11857228  0.40995284  0.11182428
   0.37054334  0.35556175  0.24382313
   0.12022706  0.17111907  0.49830255
   0.41363606  0.13356425  0.84258719
   0.10717336  0.42045883  0.61967081
   0.34523938  0.39454740  0.74623934
   0.10909063  0.67272984  0.00668965
   0.38495959  0.59831660  0.36440411
   0.06896894  0.90286611  0.13690464
   0.32021341  0.86249876  0.24866311
   0.14877969  0.67724610  0.49773192
   0.34986273  0.62962706  0.86777301
   0.06453322  0.91767917  0.61378314
   0.34860888  0.98289346  0.67647372
   0.64003277  0.14984209  0.99567218
   0.86860040  0.15281131  0.37032885
   0.60182164  0.41769647  0.10691668
   0.84895649  0.30197786  0.17628476
   0.61709988  0.16525575  0.50697281
   0.89507966  0.10210084  0.88162125
   0.58073115  0.44530275  0.61404373
   0.74500739  0.34608732  0.79857716
   0.58080318  0.67882114 -0.00187895
   0.91805749  0.62327306  0.37372842
   0.55576550  0.92831530  0.12692120
   0.81808027  0.87975388  0.26174870
   0.64886549  0.64687183  0.45565441
   0.84047814  0.60719666  0.89024285
   0.63494611  0.91104800  0.63191295
   0.83331562  0.86365659  0.76297312
   0.06762122  0.06769713  0.11477327
   0.35140492  0.19947450  0.28547762
   0.11938945  0.32720078  0.01347802
   0.32935100  0.45421752  0.33547522
   0.52021808  0.38090266  0.20597980
   0.26382366  0.38143772  0.15518255
   0.25178880  0.10534241  0.44993344
   0.00606684  0.18449014  0.41760831
   0.04449738  0.07130095  0.57330642
   0.43961887  0.24907307  0.75331825
   0.15105333  0.32021581  0.53618752
   0.37199232  0.47687543  0.83971684
   0.42992215  0.47451145  0.65755960
   0.19187461  0.37181319  0.71308673
   0.28264405  0.20020484 -0.10843757
   0.04392365  0.12057121  0.92301069
   0.08754093  0.57803778  0.10477780
   0.36154985  0.70689260  0.28538222
   0.11101006  0.83661754  0.03931228
   0.37490304  0.94810080  0.33926638
   0.39750023  0.91592955  0.15453675
   0.15742765  0.86644575  0.23735600
   0.30551815  0.66271505  0.46090048
   0.07330475  0.63423605  0.40343106
   0.14415169  0.57451756  0.58998900
   0.28192764  0.70432181  0.76901434
   0.11193040  0.83301824  0.52174160
   0.37571771  0.99633466  0.79068082
   0.47341468  0.88488003  0.63877320
   0.20308449  0.92026268  0.67865415
   0.24566790  0.64107355 -0.04815414
  -0.01264291  0.63875412  0.93977007
   0.57962713  0.08311004  0.10376892
   0.80934788  0.22855247  0.27688011
   0.60889486  0.31174943  0.01771069
   0.93053156  0.46878992  0.35037181
   0.00979575  0.35841317  0.18613597
   0.76450711  0.43703837  0.14638767
   0.76917585  0.17893128  0.46036471
   0.50995475  0.11542971  0.43646649
   0.64751864  0.07420243  0.60189322
   0.82851617  0.20020593  0.79397796
   0.56788624  0.32126148  0.53425226
   0.83464874  0.44889583  0.86172405
   0.95553711  0.40236150  0.65104612
   0.70527781  0.41289638  0.68749353
   0.79016359  0.11617686  0.96918362
   0.55444182  0.10974860  0.90102624
   0.53958166  0.56311363  0.07192360
   0.84667099  0.72090269  0.29243275
   0.57986912  0.83101915  0.03410869
   0.84162821  0.99106915  0.34296879
   0.91787155  0.87119963  0.17019156
   0.66079396  0.89409606  0.22114664
   0.81588177  0.62478880  0.46384787
   0.55175971  0.56473673  0.37951596
   0.61190201  0.59392132  0.56250181
   0.81995186  0.70458450  0.79478434
   0.60822250  0.80838776  0.42333168
   0.89511374  0.94272590  0.84802747
   0.94069925  0.87154361  0.67424846
   0.68448590  0.92130705  0.74534648
   0.73708264  0.65588837  0.97232986
   0.49683724  0.67622823  0.89747596
   0.72084707  0.80894508  0.59053575
   0.53274640  0.81661403  0.37828619
   0.85058346  0.19959777  0.10658506
   1.00814497  0.45703703  0.31352379
   0.35816211  0.09759482  0.60273278
   0.23037370  0.79264673  0.78184786
   0.04762784  1.11866553  0.17606470
   0.26282314  1.09069191  0.02774716
   0.63099734  0.34802816  0.85576623
   0.86111293  0.40899844  0.62790146
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980376    0.414433    0.007429
    -0.000000    9.882767    0.182276
    -0.000000    0.000000   13.953205
   Si   O    H 
    32    64    10
Direct configuration=   844
   0.17176128  0.17509894 -0.02723340
   0.37446198  0.10368747  0.38098448
   0.11988121  0.40984444  0.11169642
   0.36941137  0.35509840  0.24321004
   0.11987324  0.17143030  0.49869048
   0.41303666  0.13429022  0.84301017
   0.10585610  0.42297929  0.62075189
   0.34592433  0.39424684  0.74698290
   0.10801209  0.67193352  0.00728444
   0.38473573  0.59973458  0.36533898
   0.06978705  0.90191311  0.13715680
   0.32077058  0.86256556  0.24973414
   0.14855351  0.67629201  0.49853832
   0.35072351  0.62873711  0.86757255
   0.06603465  0.91790610  0.61328196
   0.34941232  0.98307087  0.67627332
   0.64076343  0.14909570  0.99562072
   0.86749715  0.15267346  0.37006049
   0.60270666  0.41724565  0.10649542
   0.85065285  0.30102233  0.17647488
   0.61727090  0.16593342  0.50749635
   0.89579636  0.10080713  0.88115858
   0.58023553  0.44440823  0.61299582
   0.74411739  0.34665817  0.79818121
   0.58055797  0.67866664 -0.00162632
   0.91798997  0.62320718  0.37395741
   0.55563900  0.92860254  0.12570864
   0.81669892  0.87934593  0.26094109
   0.64905694  0.64592661  0.45595596
   0.83978200  0.60877330  0.88995569
   0.63471208  0.91238611  0.63283388
   0.83289905  0.86473293  0.76354396
   0.06678333  0.06835309  0.11530404
   0.35211586  0.19813579  0.28466076
   0.11904077  0.32720796  0.01242609
   0.32763999  0.45387261  0.33472493
   0.52023956  0.38220947  0.20513644
   0.26533185  0.38318321  0.15476692
   0.25149854  0.10491519  0.44799706
   0.00749471  0.18501413  0.41760491
   0.04474222  0.06946065  0.57203814
   0.43900601  0.24736785  0.75368508
   0.15164883  0.31981556  0.53638901
   0.37216296  0.47648715  0.84040087
   0.42824308  0.47633439  0.65827773
   0.19134142  0.37045175  0.71455739
   0.28243693  0.20001534 -0.10774482
   0.04360268  0.12170707  0.92313824
   0.08773470  0.57728985  0.10626068
   0.36080639  0.70479725  0.28484494
   0.11166026  0.83655027  0.03926174
   0.37463615  0.94836116  0.33784243
   0.39817166  0.91524082  0.15496941
   0.15775707  0.86798126  0.23713580
   0.30484794  0.66316372  0.46025951
   0.07219951  0.63386088  0.40141230
   0.14235719  0.57445405  0.59066504
   0.28167075  0.70554074  0.76784264
   0.11081953  0.83220682  0.52102059
   0.37578197  0.99538391  0.79082729
   0.47402621  0.88552121  0.63860189
   0.20048720  0.92195395  0.67874049
   0.24700613  0.64026398 -0.04779631
  -0.01234762  0.63853366  0.93983190
   0.57918748  0.08698230  0.10368292
   0.80875742  0.22742215  0.27770286
   0.60831370  0.31286945  0.01840006
   0.93081242  0.46841481  0.35026038
   0.01086967  0.35774681  0.18536989
   0.76240209  0.43785866  0.14653336
   0.76976905  0.17871147  0.46087818
   0.51086600  0.11681361  0.43759360
   0.64850094  0.07503064  0.60153707
   0.82804182  0.19908576  0.79407741
   0.56608475  0.32099052  0.53564214
   0.83399414  0.44804559  0.86148408
   0.95718779  0.40202659  0.65208607
   0.70534153  0.41232031  0.68755871
   0.79098598  0.11688594  0.97028277
   0.55561045  0.11031201  0.90144021
   0.53962570  0.56341541  0.07220033
   0.84584580  0.71722952  0.29329215
   0.58015905  0.82979871  0.03522443
   0.84205084  0.99052052  0.34255653
   0.91764861  0.87200223  0.17089613
   0.66097980  0.89484212  0.21997325
   0.81709466  0.62629030  0.46527611
   0.54990797  0.56403729  0.37946241
   0.61263756  0.59288969  0.56176366
   0.82087028  0.70390876  0.79369838
   0.60819241  0.81027873  0.42397777
   0.89573955  0.94343617  0.84642901
   0.94000794  0.87090348  0.67319198
   0.68177702  0.92105673  0.74455200
   0.73515420  0.65580323  0.97252527
   0.49647557  0.67554640  0.89621615
   0.72136662  0.80891698  0.59230412
   0.54069096  0.82151922  0.38122465
   0.85090721  0.20058946  0.10049430
   1.00346154  0.45228525  0.31015155
   0.35667503  0.10491597  0.59700885
   0.23257513  0.79467329  0.78261054
   0.04421093  1.12694198  0.17510607
   0.25946725  1.08848717  0.03338962
   0.62531943  0.34537457  0.85351402
   0.86056176  0.39636653  0.62642947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980770    0.415844    0.005996
    -0.000000    9.882827    0.185461
    -0.000000    0.000000   13.953278
   Si   O    H 
    32    64    10
Direct configuration=   845
   0.17154549  0.17462871 -0.02717221
   0.37648449  0.10318852  0.38095874
   0.12130550  0.40999191  0.11149844
   0.36833623  0.35502842  0.24311630
   0.11948742  0.17107686  0.49909652
   0.41259946  0.13464764  0.84332112
   0.10448776  0.42595757  0.62146831
   0.34646323  0.39371703  0.74764795
   0.10728874  0.67141138  0.00805357
   0.38461499  0.60000485  0.36633462
   0.07053757  0.90133663  0.13753989
   0.32098275  0.86254179  0.25109000
   0.14808385  0.67508083  0.49928217
   0.35130336  0.62812457  0.86678115
   0.06741723  0.91826430  0.61322480
   0.35051973  0.98307581  0.67594386
   0.64078693  0.14822477  0.99581563
   0.86638635  0.15242953  0.36961787
   0.60396820  0.41676076  0.10639415
   0.85208076  0.30011160  0.17681245
   0.61811442  0.16671105  0.50813773
   0.89659988  0.09985075  0.88096163
   0.57958467  0.44406407  0.61203152
   0.74298961  0.34733053  0.79738540
   0.58044956  0.67915010 -0.00134530
   0.91754877  0.62284768  0.37394535
   0.55618294  0.92911944  0.12450374
   0.81565868  0.87842896  0.26018873
   0.64878446  0.64508764  0.45616894
   0.83912765  0.60994206  0.88969211
   0.63429430  0.91308657  0.63380132
   0.83214929  0.86526462  0.76341136
   0.06602779  0.06829192  0.11645546
   0.35264951  0.19743168  0.28418333
   0.11956804  0.32728903  0.01156935
   0.32601887  0.45435496  0.33423438
   0.52057073  0.38364718  0.20450031
   0.26665603  0.38470751  0.15457432
   0.25160986  0.10497465  0.44605874
   0.00852861  0.18463801  0.41739236
   0.04531917  0.06746607  0.57108509
   0.43836630  0.24582879  0.75415777
   0.15257408  0.31951574  0.53670622
   0.37189381  0.47556658  0.84081190
   0.42643168  0.47742579  0.65839188
   0.19109154  0.36969136  0.71569307
   0.28160242  0.20051898 -0.10748123
   0.04266421  0.12289791  0.92267359
   0.08772071  0.57695524  0.10747923
   0.35985647  0.70390359  0.28450027
   0.11246802  0.83548189  0.03930577
   0.37527842  0.94929311  0.33662002
   0.39890054  0.91477500  0.15538747
   0.15836794  0.86927964  0.23696169
   0.30347550  0.66340733  0.46027847
   0.07156899  0.63323893  0.39948390
   0.14095823  0.57447228  0.59154904
   0.28229736  0.70734310  0.76676336
   0.10998110  0.83214256  0.52006692
   0.37490602  0.99396162  0.79067459
   0.47479159  0.88574553  0.63854929
   0.19821933  0.92374253  0.67874590
   0.24825602  0.63992131 -0.04721170
  -0.01342729  0.63876245  0.94012673
   0.57961164  0.09065781  0.10286490
   0.80799844  0.22678897  0.27805586
   0.60707826  0.31417902  0.01907547
   0.93002814  0.46768649  0.35041012
   0.01161244  0.35555743  0.18459695
   0.75996313  0.43816691  0.14646564
   0.77052191  0.17811861  0.46167557
   0.51223336  0.11770071  0.43816589
   0.64983814  0.07440474  0.60104457
   0.82693890  0.19833149  0.79430534
   0.56384883  0.32000872  0.53701389
   0.83277426  0.44765621  0.86133816
   0.95870514  0.40195751  0.65268526
   0.70633772  0.41122670  0.68800121
   0.79218686  0.11739220  0.97097079
   0.55639119  0.11086698  0.90195104
   0.53938133  0.56329269  0.07259809
   0.84409177  0.71337207  0.29410798
   0.58061847  0.82938837  0.03633828
   0.84282302  0.98977955  0.34189566
   0.91700003  0.87294692  0.17182824
   0.66132913  0.89507983  0.21893900
   0.81752316  0.62790679  0.46661045
   0.54778732  0.56403213  0.37884566
   0.61336485  0.59203961  0.56073146
   0.82279550  0.70442093  0.79302198
   0.60877338  0.81174497  0.42541502
   0.89678540  0.94379594  0.84561736
   0.94087227  0.87015877  0.67249558
   0.67904243  0.92069288  0.74391270
   0.73306461  0.65625626  0.97272909
   0.49616449  0.67496082  0.89461901
   0.72066273  0.80965064  0.59073955
   0.53179288  0.83035054  0.37668275
   0.85298773  0.20106457  0.09714181
   1.00838779  0.43896156  0.30095598
   0.35236662  0.10988519  0.59782722
   0.23713875  0.78877151  0.78213628
   0.04556877  1.12946433  0.16636194
   0.25471344  1.08648178  0.03583257
   0.61630962  0.33915982  0.85077759
   0.86851154  0.38548298  0.62471726
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980998    0.417077    0.004633
    -0.000000    9.882868    0.188437
    -0.000000    0.000000   13.953230
   Si   O    H 
    32    64    10
Direct configuration=   846
   0.17093286  0.17463747 -0.02656909
   0.37862990  0.10245925  0.38103380
   0.12239808  0.41062063  0.11146682
   0.36696519  0.35472306  0.24294918
   0.11895392  0.17078017  0.49946187
   0.41241116  0.13455635  0.84376884
   0.10354333  0.42760866  0.62215094
   0.34739541  0.39242305  0.74765095
   0.10703926  0.67045108  0.00905198
   0.38456035  0.60020459  0.36704350
   0.07094282  0.90120516  0.13789486
   0.32139272  0.86286968  0.25224676
   0.14761544  0.67447372  0.49944392
   0.35164309  0.62792998  0.86593280
   0.06800501  0.91879697  0.61376809
   0.35141479  0.98308756  0.67516752
   0.64067310  0.14727387  0.99674986
   0.86500110  0.15174512  0.36939410
   0.60410657  0.41742507  0.10615664
   0.85348678  0.29951870  0.17704044
   0.61926731  0.16750485  0.50880084
   0.89676395  0.09916924  0.88081921
   0.57900282  0.44397960  0.61100374
   0.74198828  0.34771463  0.79674245
   0.58014583  0.67950449 -0.00071689
   0.91652113  0.62270309  0.37411079
   0.55680159  0.92964361  0.12365511
   0.81491752  0.87697712  0.25954547
   0.64831892  0.64468300  0.45650319
   0.83832075  0.61116501  0.88928169
   0.63307656  0.91395080  0.63434558
   0.83061052  0.86539241  0.76334641
   0.06615396  0.06790825  0.11707089
   0.35373991  0.19749371  0.28341580
   0.11912537  0.32828471  0.01076557
   0.32415114  0.45459350  0.33395469
   0.52049915  0.38566535  0.20393082
   0.26856464  0.38602690  0.15464135
   0.25134536  0.10473962  0.44476927
   0.00917787  0.18470596  0.41719794
   0.04565802  0.06600913  0.57043355
   0.43701752  0.24476147  0.75479468
   0.15342926  0.31950245  0.53664842
   0.37157799  0.47320212  0.84123978
   0.42457462  0.47820829  0.65852613
   0.19057267  0.36848947  0.71693667
   0.28090809  0.20044497 -0.10708991
   0.04146610  0.12387905  0.92183694
   0.08787713  0.57615471  0.10849351
   0.35808898  0.70374085  0.28359847
   0.11293273  0.83401453  0.03907601
   0.37564718  0.95017539  0.33545684
   0.39902463  0.91331646  0.15512187
   0.15957682  0.87068292  0.23650711
   0.30230983  0.66310184  0.46034611
   0.07133539  0.63272096  0.39826736
   0.13977755  0.57526795  0.59175111
   0.28346647  0.70722354  0.76606058
   0.10904704  0.83196758  0.51944227
   0.37419825  0.99360049  0.79080186
   0.47632913  0.88606789  0.63802177
   0.19637439  0.92479153  0.67870359
   0.24939721  0.63928863 -0.04666323
  -0.01447810  0.63889053  0.94018692
   0.57984580  0.09402070  0.10199113
   0.80723249  0.22667799  0.27829409
   0.60671021  0.31586516  0.01904697
   0.92968397  0.46526153  0.34966838
   0.01165119  0.35346140  0.18380431
   0.75803741  0.43805165  0.14674952
   0.77119411  0.17721741  0.46342404
   0.51406983  0.11842189  0.43832683
   0.65102491  0.07329423  0.60103188
   0.82620210  0.19800075  0.79483616
   0.56145885  0.31950203  0.53773540
   0.83089748  0.44771219  0.86131760
   0.95924630  0.40212887  0.65315173
   0.70717396  0.41045692  0.68884354
   0.79316993  0.11759071  0.97169776
   0.55685876  0.11201259  0.90275468
   0.53930962  0.56223294  0.07266441
   0.84205917  0.71020191  0.29407951
   0.58043116  0.83023582  0.03715603
   0.84336409  0.98816678  0.34161426
   0.91656264  0.87346208  0.17255501
   0.66220635  0.89601701  0.21751456
   0.81825807  0.62866048  0.46765365
   0.54530399  0.56448799  0.37895013
   0.61342095  0.59043821  0.56004789
   0.82482818  0.70451066  0.79220041
   0.60921012  0.81284454  0.42687017
   0.89763482  0.94445451  0.84539287
   0.94166392  0.86954964  0.67188702
   0.67757618  0.92029587  0.74372217
   0.73165037  0.65687695  0.97312977
   0.49646352  0.67440820  0.89356843
   0.71676251  0.81267664  0.58894749
   0.52953027  0.83837752  0.37517600
   0.85556043  0.20515982  0.09547833
   1.00260651  0.43079190  0.30141508
   0.34939020  0.11071816  0.60234755
   0.23474684  0.79500088  0.78470628
   0.04416531  1.13497181  0.16208667
   0.25214956  1.08993143  0.03589871
   0.60776920  0.33401189  0.84577086
   0.88007076  0.37881776  0.62300613
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980837    0.418577    0.003267
    -0.000000    9.882724    0.191179
    -0.000000    0.000000   13.953449
   Si   O    H 
    32    64    10
Direct configuration=   847
   0.17035771  0.17515218 -0.02612680
   0.38063911  0.10185966  0.38084736
   0.12323819  0.41122025  0.11085460
   0.36589687  0.35407974  0.24309551
   0.11894154  0.17033846  0.49957567
   0.41259267  0.13418677  0.84418461
   0.10279579  0.42903547  0.62308121
   0.34819260  0.39105482  0.74740934
   0.10682102  0.66888787  0.00945167
   0.38385937  0.60029647  0.36775623
   0.07108019  0.90095836  0.13837101
   0.32157508  0.86264848  0.25318427
   0.14776349  0.67446893  0.49956884
   0.35181813  0.62817173  0.86495497
   0.06856618  0.91842732  0.61462366
   0.35190750  0.98351851  0.67499113
   0.64031746  0.14726035  0.99771258
   0.86396542  0.15091585  0.36930716
   0.60397286  0.41752823  0.10586409
   0.85477891  0.29910015  0.17680103
   0.62087536  0.16809628  0.50943566
   0.89682735  0.09848251  0.88003734
   0.57872752  0.44390457  0.61009253
   0.74107349  0.34788148  0.79591634
   0.57988374  0.67930927 -0.00019837
   0.91514748  0.62261043  0.37417542
   0.55766287  0.92985243  0.12320124
   0.81429865  0.87574622  0.25913487
   0.64743734  0.64469490  0.45642130
   0.83822590  0.61262592  0.88889476
   0.63205019  0.91497123  0.63514348
   0.82918115  0.86556295  0.76267029
   0.06587223  0.06713659  0.11739532
   0.35444733  0.19754000  0.28223829
   0.11790665  0.32982464  0.00961589
   0.32235332  0.45538723  0.33355309
   0.51958293  0.38770145  0.20331119
   0.27113744  0.38711318  0.15457278
   0.25088230  0.10366885  0.44383886
   0.00927492  0.18489414  0.41705711
   0.04596077  0.06473165  0.57013825
   0.43628884  0.24443127  0.75535067
   0.15418534  0.31943942  0.53698480
   0.37096317  0.47098166  0.84185027
   0.42302509  0.47833508  0.65848617
   0.19011479  0.36697506  0.71861722
   0.28059355  0.20155690 -0.10674376
   0.04002100  0.12531221  0.92102522
   0.08910096  0.57584984  0.10963236
   0.35676413  0.70395792  0.28302798
   0.11313616  0.83184561  0.03902907
   0.37619275  0.95156566  0.33523188
   0.39934184  0.91152172  0.15482273
   0.15955936  0.87171846  0.23602756
   0.30121314  0.66266969  0.46052749
   0.07172201  0.63286323  0.39778090
   0.13832002  0.57681186  0.59234501
   0.28488481  0.70756854  0.76605693
   0.10773704  0.83148371  0.51892520
   0.37412101  0.99468044  0.79111651
   0.47831851  0.88593853  0.63792375
   0.19492680  0.92573690  0.67902826
   0.25022449  0.63886415 -0.04601890
  -0.01609636  0.63900913  0.93990196
   0.58044959  0.09536678  0.10053199
   0.80663100  0.22781896  0.27853769
   0.60719773  0.31659961  0.01867130
   0.92933012  0.46168475  0.34892331
   0.01155220  0.35160400  0.18343454
   0.75650792  0.43666226  0.14689156
   0.77093875  0.17667152  0.46444862
   0.51478612  0.11860996  0.43790385
   0.65114489  0.07181007  0.60061732
   0.82536033  0.19714918  0.79521838
   0.55979185  0.31862454  0.53866346
   0.82933815  0.44858223  0.86159968
   0.95992320  0.40231976  0.65347928
   0.70760631  0.40984726  0.68945663
   0.79437051  0.11726362  0.97182164
   0.55756481  0.11330322  0.90345035
   0.53933155  0.56178627  0.07253289
   0.83970225  0.70851599  0.29352341
   0.57990810  0.83083469  0.03808807
   0.84331341  0.98686864  0.34167008
   0.91626114  0.87424829  0.17282264
   0.66285284  0.89692738  0.21528348
   0.81765905  0.62990468  0.46876005
   0.54341941  0.56480647  0.37984540
   0.61252286  0.58837484  0.55952929
   0.82754222  0.70438438  0.79165331
   0.60946093  0.81326100  0.42769884
   0.89904547  0.94568149  0.84597435
   0.94226562  0.86891759  0.67182191
   0.67669192  0.91954803  0.74375918
   0.73044971  0.65715129  0.97330549
   0.49755633  0.67289739  0.89268623
   0.71176273  0.81417530  0.58342473
   0.54075921  0.84521040  0.38072347
   0.85732282  0.21127899  0.09542258
   0.98692818  0.42713526  0.30549574
   0.34677366  0.10498543  0.60921643
   0.23395627  0.79388219  0.78586072
   0.04344216  1.14383807  0.16163752
   0.25237958  1.08763522  0.03589339
   0.60220706  0.32947753  0.83851301
   0.88453367  0.36922946  0.61778033
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980353    0.419795    0.002195
    -0.000000    9.881943    0.193829
    -0.000000    0.000000   13.953680
   Si   O    H 
    32    64    10
Direct configuration=   848
   0.16961527  0.17541670 -0.02546937
   0.38285667  0.10076127  0.38037372
   0.12393391  0.41189237  0.11023667
   0.36495248  0.35317005  0.24336060
   0.11913952  0.17008843  0.49977590
   0.41253394  0.13409054  0.84428733
   0.10300505  0.42968544  0.62409792
   0.34865708  0.38979088  0.74702254
   0.10689609  0.66747820  0.00990546
   0.38277415  0.59992389  0.36822921
   0.07124143  0.90111116  0.13909845
   0.32179861  0.86189247  0.25350576
   0.14772858  0.67503178  0.49928951
   0.35166724  0.62855056  0.86395700
   0.06949339  0.91834336  0.61498832
   0.35185034  0.98341622  0.67476157
   0.64003791  0.14729600  0.99868041
   0.86345228  0.14955198  0.36967518
   0.60335097  0.41787306  0.10610309
   0.85543537  0.29897413  0.17686033
   0.62231638  0.16914462  0.51030759
   0.89681643  0.09816349  0.87920335
   0.57780004  0.44455573  0.61012597
   0.73983284  0.34861395  0.79542832
   0.57961935  0.67935039  0.00032270
   0.91355947  0.62196214  0.37475390
   0.55862226  0.93049679  0.12331595
   0.81297849  0.87404957  0.25864080
   0.64632193  0.64456443  0.45608187
   0.83790533  0.61408463  0.88888130
   0.63087628  0.91598638  0.63595213
   0.82829900  0.86575720  0.76194055
   0.06561452  0.06659002  0.11764602
   0.35576007  0.19805153  0.28178239
   0.11666895  0.33121339  0.00945571
   0.32075816  0.45565544  0.33313006
   0.51910768  0.38908039  0.20272414
   0.27378419  0.38753664  0.15437654
   0.25112952  0.10167432  0.44283681
   0.00937319  0.18545950  0.41697350
   0.04606057  0.06478921  0.57001553
   0.43599157  0.24431900  0.75600980
   0.15512211  0.31926530  0.53750641
   0.37002923  0.46942038  0.84288078
   0.42221252  0.47840759  0.65886681
   0.19067993  0.36573687  0.71952945
   0.28111755  0.20361647 -0.10720664
   0.03910757  0.12681853  0.92009656
   0.09056978  0.57485041  0.10982585
   0.35576196  0.70495811  0.28228159
   0.11263062  0.82968820  0.03903254
   0.37670143  0.95331595  0.33562133
   0.39922688  0.90907259  0.15453648
   0.16011426  0.87247488  0.23499921
   0.30097738  0.66150791  0.46072635
   0.07310431  0.63245298  0.39746531
   0.13656769  0.57895139  0.59325107
   0.28653141  0.70684919  0.76637504
   0.10623981  0.83023343  0.51885784
   0.37440123  0.99562265  0.79156068
   0.47944803  0.88573330  0.63791974
   0.19474127  0.92552050  0.67962479
   0.24978476  0.63869678 -0.04515382
  -0.01805114  0.63974459  0.93993398
   0.58037226  0.09583812  0.09885476
   0.80638481  0.22883270  0.27810474
   0.60792965  0.31653379  0.01790209
   0.92830510  0.45977316  0.34876743
   0.01103326  0.34913849  0.18290713
   0.75529011  0.43429183  0.14687621
   0.77031738  0.17695018  0.46518355
   0.51603790  0.11792352  0.43692803
   0.65155833  0.07070298  0.59999995
   0.82495967  0.19606168  0.79573765
   0.55865774  0.31711125  0.53943485
   0.82804693  0.44961593  0.86198717
   0.95956973  0.40180484  0.65414148
   0.70727458  0.40922535  0.68973880
   0.79543648  0.11704101  0.97165267
   0.55698226  0.11415752  0.90377105
   0.53874888  0.56124644  0.07244030
   0.83741453  0.70764226  0.29280770
   0.57902499  0.83197774  0.03912823
   0.84383888  0.98575414  0.34204364
   0.91656425  0.87620274  0.17287947
   0.66299416  0.89888021  0.21331233
   0.81741799  0.63152643  0.46960676
   0.54252938  0.56584643  0.38060227
   0.61157332  0.58549722  0.55920639
   0.83081782  0.70396808  0.79095126
   0.61002448  0.81343598  0.42852142
   0.89997410  0.94670154  0.84677018
   0.94273389  0.86806742  0.67147876
   0.67622716  0.91924567  0.74387567
   0.73064373  0.65668474  0.97326483
   0.49935932  0.67174866  0.89221945
   0.70877181  0.81548576  0.57673705
   0.55192009  0.85437460  0.38472805
   0.85709841  0.21450648  0.09556694
   0.98670449  0.41791551  0.30163149
   0.34240411  0.10131132  0.61796591
   0.23462605  0.78750983  0.78622212
   0.04232031  1.14717494  0.15906210
   0.25276341  1.08539742  0.03343781
   0.59983990  0.32412127  0.83111665
   0.89108303  0.36174302  0.61622141
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979596    0.421238    0.001369
    -0.000000    9.880957    0.195469
    -0.000000    0.000000   13.954156
   Si   O    H 
    32    64    10
Direct configuration=   849
   0.16886177  0.17625418 -0.02516894
   0.38411941  0.09975486  0.37987300
   0.12404572  0.41258035  0.10965257
   0.36455651  0.35210729  0.24403424
   0.11980081  0.16939370  0.49965557
   0.41275780  0.13423542  0.84436731
   0.10358168  0.42932884  0.62484538
   0.34918872  0.38816858  0.74635492
   0.10749335  0.66668080  0.01031668
   0.38190656  0.59931828  0.36863558
   0.07156890  0.90177367  0.14004550
   0.32207268  0.86115217  0.25346691
   0.14766480  0.67647750  0.49893940
   0.35099458  0.62878273  0.86251242
   0.06996735  0.91822591  0.61515021
   0.35177964  0.98377432  0.67495397
   0.64017492  0.14740298  0.99954082
   0.86274862  0.14824360  0.37021697
   0.60320777  0.41836911  0.10651139
   0.85660695  0.29926022  0.17725428
   0.62422370  0.16973272  0.51093173
   0.89660080  0.09809465  0.87821409
   0.57714265  0.44500438  0.60994031
   0.73905909  0.34937902  0.79494827
   0.57922110  0.67893796  0.00081133
   0.91204821  0.62147053  0.37555488
   0.55957164  0.93164842  0.12345432
   0.81226056  0.87282097  0.25826763
   0.64518529  0.64510879  0.45554677
   0.83795406  0.61562493  0.88951641
   0.62956280  0.91686634  0.63635549
   0.82794759  0.86545663  0.76105277
   0.06571969  0.06617377  0.11720492
   0.35751523  0.19916123  0.28154696
   0.11599489  0.33296260  0.00914443
   0.31896473  0.45599575  0.33223878
   0.51852997  0.39004060  0.20188678
   0.27568075  0.38754115  0.15413167
   0.25128318  0.10000114  0.44299532
   0.00914673  0.18696928  0.41637650
   0.04519240  0.06561567  0.56967475
   0.43650905  0.24326908  0.75687941
   0.15556091  0.31919594  0.53807975
   0.36987506  0.46705689  0.84412910
   0.42165716  0.47915112  0.65960468
   0.19170416  0.36548133  0.72026004
   0.28202510  0.20558701 -0.10767147
   0.03861085  0.12806888  0.91938793
   0.09285203  0.57376863  0.10977767
   0.35489288  0.70541911  0.28135626
   0.11183480  0.82777541  0.03940395
   0.37835732  0.95428185  0.33643314
   0.39962298  0.90625830  0.15481738
   0.16020924  0.87296076  0.23370663
   0.30117823  0.66037582  0.46095686
   0.07394953  0.63273287  0.39761514
   0.13452070  0.58132607  0.59389202
   0.28813824  0.70601833  0.76618403
   0.10440030  0.82950467  0.51872688
   0.37464317  0.99610224  0.79206905
   0.47918584  0.88478181  0.63820624
   0.19587134  0.92550476  0.68084503
   0.24941475  0.63855588 -0.04442754
  -0.02031259  0.64016654  0.93921009
   0.58008614  0.09579396  0.09746303
   0.80545464  0.23012524  0.27728152
   0.60893496  0.31636273  0.01730761
   0.92703175  0.45773569  0.34823113
   0.01041704  0.34711676  0.18266847
   0.75476582  0.43091434  0.14714424
   0.76982334  0.17742720  0.46544530
   0.51767012  0.11755629  0.43593666
   0.65121779  0.06975562  0.59975041
   0.82482285  0.19532209  0.79589668
   0.55799584  0.31562802  0.53977866
   0.82686616  0.45078637  0.86224288
   0.95854022  0.40164385  0.65466144
   0.70562582  0.40923858  0.69002405
   0.79581823  0.11713476  0.97146134
   0.55601875  0.11507899  0.90421182
   0.53797634  0.56081182  0.07211906
   0.83546646  0.70763126  0.29178022
   0.57840818  0.83317656  0.03995906
   0.84441039  0.98481815  0.34242820
   0.91707688  0.87774996  0.17276745
   0.66270820  0.90112517  0.21177783
   0.81602951  0.63264877  0.47081724
   0.54278950  0.56676301  0.38055095
   0.61131768  0.58234356  0.55848556
   0.83447135  0.70358082  0.79001646
   0.61076066  0.81189097  0.42998375
   0.90093583  0.94767015  0.84733760
   0.94269340  0.86722813  0.67189968
   0.67552888  0.91972069  0.74456373
   0.73161268  0.65634632  0.97261805
   0.50058498  0.67135345  0.89261419
   0.70390526  0.82143871  0.57384690
   0.55342729  0.86763413  0.38230726
   0.85655010  0.21374520  0.09509100
   0.98948032  0.41136754  0.29738867
   0.34045403  0.10328482  0.62346321
   0.23627944  0.78162392  0.78318257
   0.04140422  1.13959685  0.15389913
   0.25491033  1.08108657  0.03326560
   0.60161840  0.32141548  0.82453690
   0.89575763  0.35690131  0.61482229
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979273    0.423149    0.000244
    -0.000000    9.880122    0.197180
    -0.000000    0.000000   13.954789
   Si   O    H 
    32    64    10
Direct configuration=   850
   0.16859963  0.17698614 -0.02481933
   0.38530956  0.09855261  0.37918503
   0.12415758  0.41325810  0.10944340
   0.36506705  0.35122402  0.24490984
   0.12077590  0.16869639  0.49933581
   0.41261124  0.13436129  0.84505741
   0.10428913  0.42919508  0.62588380
   0.34970507  0.38670793  0.74575195
   0.10805201  0.66596858  0.00977328
   0.38093234  0.59914894  0.36920669
   0.07149303  0.90205884  0.14091751
   0.32207708  0.86036086  0.25329760
   0.14775489  0.67785990  0.49860925
   0.35023324  0.62917888  0.86097172
   0.06954220  0.91818524  0.61535490
   0.35215418  0.98319557  0.67562386
   0.64058585  0.14821053  1.00055404
   0.86228667  0.14690650  0.37134021
   0.60318178  0.41880930  0.10659574
   0.85706865  0.29962881  0.17738128
   0.62626602  0.16993888  0.51167994
   0.89614138  0.09846830  0.87742402
   0.57640268  0.44494699  0.61019044
   0.73902585  0.35071667  0.79462989
   0.57882815  0.67872207  0.00111218
   0.91104957  0.62052985  0.37588495
   0.56084856  0.93176894  0.12413769
   0.81133402  0.87118657  0.25781567
   0.64326172  0.64566993  0.45475483
   0.83777789  0.61755070  0.88999796
   0.62865828  0.91770986  0.63645653
   0.82764095  0.86466373  0.76006779
   0.06599961  0.06512935  0.11624735
   0.36003181  0.19902394  0.28141147
   0.11525801  0.33457000  0.00893246
   0.31772545  0.45659305  0.33116533
   0.51820756  0.39048409  0.20154890
   0.27735708  0.38690589  0.15410675
   0.25086594  0.09856399  0.44299813
   0.00890048  0.18883599  0.41506336
   0.04333471  0.06661988  0.56947898
   0.43694205  0.24259806  0.75792789
   0.15582227  0.31958307  0.53908634
   0.36909711  0.46493628  0.84478598
   0.42210326  0.47946422  0.66025425
   0.19253786  0.36516649  0.72060760
   0.28344645  0.20702840 -0.10863163
   0.03882009  0.13027162  0.91830870
   0.09569056  0.57365213  0.10933836
   0.35398808  0.70557442  0.28104933
   0.11064346  0.82591031  0.03990304
   0.38011903  0.95442353  0.33733764
   0.39945544  0.90414401  0.15595797
   0.16033838  0.87329006  0.23258648
   0.30187375  0.65915046  0.46129719
   0.07467497  0.63292208  0.39799563
   0.13323517  0.58381057  0.59409398
   0.29023989  0.70463299  0.76594204
   0.10320906  0.82801912  0.51903219
   0.37562498  0.99631800  0.79304658
   0.47798504  0.88347525  0.63912602
   0.19672568  0.92607032  0.68237309
   0.24883119  0.63826097 -0.04422431
  -0.02264359  0.64016202  0.93900879
   0.58023782  0.09582073  0.09626967
   0.80438587  0.23208025  0.27598416
   0.61025961  0.31557969  0.01627966
   0.92567143  0.45560269  0.34743172
   0.00955723  0.34498006  0.18234711
   0.75488700  0.42820062  0.14714146
   0.77015373  0.17819036  0.46530211
   0.51896190  0.11699825  0.43526173
   0.65104441  0.06849560  0.59892610
   0.82466547  0.19581901  0.79593150
   0.55698015  0.31429716  0.53971081
   0.82542607  0.45172460  0.86265519
   0.95779940  0.40187914  0.65557889
   0.70418140  0.40929752  0.69003683
   0.79634054  0.11691697  0.97130015
   0.55550817  0.11643266  0.90445698
   0.53748951  0.56059180  0.07268803
   0.83452297  0.70845545  0.29040508
   0.57813066  0.83368880  0.04066561
   0.84502439  0.98334702  0.34327309
   0.91884468  0.87925468  0.17224610
   0.66333519  0.90281721  0.21088579
   0.81489863  0.63380673  0.47152077
   0.54253259  0.56833098  0.38034051
   0.61166882  0.58027671  0.55796930
   0.83911340  0.70300184  0.78910067
   0.61092102  0.81037727  0.43087980
   0.90120544  0.94830101  0.84680462
   0.94278453  0.86643721  0.67217987
   0.67453781  0.91915857  0.74586249
   0.73291165  0.65557604  0.97187807
   0.50196951  0.67101122  0.89316680
   0.70262221  0.82280483  0.57392632
   0.55290559  0.87548701  0.38308769
   0.86083660  0.21271241  0.09480707
   0.98961685  0.41234008  0.30056312
   0.34100529  0.11095925  0.62369066
   0.22804146  0.78744867  0.78213520
   0.03625126  1.13858778  0.15473477
   0.25936644  1.07819159  0.03209973
   0.60687767  0.31910908  0.82302500
   0.90044715  0.34740391  0.61468123
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978866    0.425457   -0.001158
    -0.000000    9.879570    0.199241
    -0.000000    0.000000   13.955843
   Si   O    H 
    32    64    10
Direct configuration=   851
   0.16827565  0.17810197 -0.02475568
   0.38547002  0.09791405  0.37852192
   0.12415020  0.41400151  0.10953761
   0.36554966  0.35065504  0.24588580
   0.12171457  0.16842223  0.49865536
   0.41222100  0.13412902  0.84564565
   0.10486366  0.42901935  0.62702026
   0.35032678  0.38525905  0.74538772
   0.10806955  0.66579375  0.00937160
   0.38022777  0.59928753  0.36953173
   0.07185194  0.90256688  0.14221809
   0.32304398  0.85993088  0.25336420
   0.14777311  0.67856992  0.49836581
   0.34955859  0.62916427  0.86017460
   0.06877834  0.91820528  0.61559696
   0.35209465  0.98227005  0.67658086
   0.64176351  0.15003551  1.00111281
   0.86151885  0.14555681  0.37178609
   0.60279165  0.41855136  0.10655319
   0.85652734  0.29991375  0.17706531
   0.62756857  0.17035398  0.51296732
   0.89484321  0.09848040  0.87675883
   0.57547161  0.44521076  0.61104319
   0.73970280  0.35163270  0.79472051
   0.57833257  0.67871299  0.00129631
   0.91032354  0.61891889  0.37583618
   0.56176168  0.93200271  0.12509851
   0.81069004  0.86940048  0.25717558
   0.64150397  0.64614955  0.45445984
   0.83694425  0.61877559  0.89042195
   0.62754035  0.91807458  0.63623914
   0.82775083  0.86374956  0.75873610
   0.06565004  0.06367614  0.11528116
   0.36263873  0.19817862  0.28158662
   0.11418526  0.33627271  0.00912638
   0.31666547  0.45725483  0.33018094
   0.51720980  0.39089422  0.20184755
   0.27792441  0.38622549  0.15409068
   0.24891371  0.09819939  0.44323349
   0.00832335  0.19060258  0.41355444
   0.04166816  0.06899377  0.56965988
   0.43771051  0.24205353  0.75876083
   0.15566039  0.32101648  0.53994803
   0.36935155  0.46317454  0.84508414
   0.42217454  0.47933563  0.66095108
   0.19376255  0.36508924  0.72057674
   0.28455872  0.20826315 -0.10988933
   0.03854283  0.13231312  0.91693774
   0.09709837  0.57373395  0.10860552
   0.35341329  0.70522323  0.28090653
   0.10941916  0.82346389  0.04073797
   0.38132803  0.95440976  0.33786481
   0.39932473  0.90189256  0.15676244
   0.16074761  0.87345075  0.23163075
   0.30323554  0.65898631  0.46209998
   0.07534769  0.63350023  0.39869639
   0.13231476  0.58488534  0.59437678
   0.29154860  0.70403228  0.76546664
   0.10186830  0.82744666  0.52008456
   0.37722624  0.99654167  0.79417273
   0.47577038  0.88212364  0.64006484
   0.19829969  0.92696832  0.68307059
   0.24917477  0.63847378 -0.04434310
  -0.02341556  0.63948356  0.93884084
   0.57963547  0.09594295  0.09504502
   0.80402400  0.23354724  0.27503129
   0.61142549  0.31521585  0.01563694
   0.92438013  0.45372334  0.34616317
   0.00889440  0.34346103  0.18235995
   0.75539932  0.42652138  0.14738841
   0.77092993  0.18043805  0.46521554
   0.51998390  0.11723395  0.43503035
   0.65123658  0.06829187  0.59862935
   0.82403572  0.19607704  0.79604283
   0.55622579  0.31345121  0.53983489
   0.82405904  0.45261859  0.86291251
   0.95586091  0.40166214  0.65674873
   0.70298421  0.41007585  0.68930880
   0.79519275  0.11726281  0.97126564
   0.55462227  0.11710630  0.90430699
   0.53703177  0.56169368  0.07316401
   0.83344497  0.70967048  0.28923621
   0.57825110  0.83324750  0.04078375
   0.84542515  0.98171067  0.34408877
   0.92107137  0.87992569  0.17204886
   0.66446330  0.90438652  0.21110784
   0.81390199  0.63546807  0.47173578
   0.54262545  0.57041158  0.38009590
   0.61204658  0.57830226  0.55776496
   0.84301253  0.70292924  0.78785670
   0.61072616  0.80875760  0.43152523
   0.90156656  0.94884717  0.84573840
   0.94292099  0.86573813  0.67287244
   0.67395499  0.91971113  0.74790768
   0.73440075  0.65440156  0.97088725
   0.50285473  0.67025379  0.89383059
   0.70190184  0.82613197  0.57849250
   0.55686010  0.87207180  0.38889431
   0.86308503  0.21048597  0.09545127
   0.99052357  0.41797241  0.30534324
   0.34284908  0.11674008  0.62205130
   0.22498517  0.78396878  0.77719734
   0.03218878  1.13549381  0.15521698
   0.26186831  1.07885700  0.02675907
   0.61051387  0.31654590  0.82708793
   0.90442417  0.33978033  0.61638492
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978968    0.428198   -0.002472
    -0.000000    9.878657    0.201860
    -0.000000    0.000000   13.957306
   Si   O    H 
    32    64    10
Direct configuration=   852
   0.16745844  0.17958685 -0.02530399
   0.38507327  0.09807905  0.37789599
   0.12435060  0.41396331  0.10989292
   0.36621340  0.35024147  0.24710748
   0.12179706  0.16886457  0.49810283
   0.41267444  0.13353498  0.84613381
   0.10570732  0.42883846  0.62782201
   0.35053698  0.38433209  0.74525550
   0.10752057  0.66536419  0.00884704
   0.37997889  0.59887321  0.36981084
   0.07161465  0.90291088  0.14256648
   0.32403947  0.85896356  0.25340515
   0.14833245  0.67881265  0.49796214
   0.34896026  0.62891629  0.85969097
   0.06782485  0.91822307  0.61561979
   0.35190016  0.98163520  0.67777515
   0.64291688  0.15236662  1.00119496
   0.86124799  0.14407271  0.37233697
   0.60263447  0.41852684  0.10635268
   0.85562769  0.29997668  0.17692050
   0.62863209  0.17048261  0.51358836
   0.89303649  0.09850516  0.87597569
   0.57449319  0.44530339  0.61191551
   0.74026585  0.35264067  0.79506438
   0.57749594  0.67863872  0.00105993
   0.91025124  0.61697484  0.37586882
   0.56177425  0.93238011  0.12616965
   0.81039994  0.86796185  0.25624067
   0.64070966  0.64617847  0.45437052
   0.83592324  0.61941527  0.89088596
   0.62665381  0.91814483  0.63577019
   0.82826919  0.86284787  0.75793880
   0.06497044  0.06299789  0.11446184
   0.36454897  0.19732213  0.28212995
   0.11341465  0.33661980  0.00952198
   0.31606360  0.45722722  0.32980207
   0.51570907  0.39085551  0.20281061
   0.27735987  0.38502687  0.15369184
   0.24778894  0.09771833  0.44355327
   0.00734989  0.19204772  0.41141744
   0.03982093  0.07098156  0.56942608
   0.43932414  0.24220957  0.75916470
   0.15577131  0.32331427  0.54054496
   0.36976484  0.46182306  0.84584266
   0.42259205  0.47937973  0.66149859
   0.19464423  0.36552328  0.72018211
   0.28506872  0.20864624 -0.11070396
   0.03863117  0.13432993  0.91590854
   0.09781312  0.57342445  0.10768692
   0.35255687  0.70422882  0.28075241
   0.10869777  0.82160527  0.04179067
   0.38276020  0.95310325  0.33831709
   0.39957585  0.90090969  0.15741474
   0.16252224  0.87348841  0.23120960
   0.30363066  0.65919146  0.46262112
   0.07494406  0.63384986  0.39931289
   0.13091338  0.58518101  0.59402827
   0.29200101  0.70385645  0.76498525
   0.10066039  0.82703779  0.52161406
   0.37868279  0.99618426  0.79576110
   0.47306470  0.88075620  0.64050268
   0.20011325  0.92706932  0.68346028
   0.24980948  0.63908849 -0.04486300
  -0.02316082  0.63843779  0.93908219
   0.57881081  0.09557773  0.09402599
   0.80407236  0.23437028  0.27442732
   0.61151660  0.31526340  0.01504409
   0.92221055  0.45283127  0.34600647
   0.00901773  0.34204747  0.18228832
   0.75576329  0.42425923  0.14794037
   0.77201167  0.18318284  0.46528542
   0.52077541  0.11809693  0.43506590
   0.65134521  0.06824167  0.59876665
   0.82459762  0.19713182  0.79550509
   0.55568366  0.31282630  0.53983052
   0.82250216  0.45360194  0.86247892
   0.95370499  0.40053701  0.65812786
   0.70096952  0.41116316  0.68825559
   0.79395446  0.11803033  0.97114552
   0.55326388  0.11739405  0.90460375
   0.53629538  0.56238651  0.07368224
   0.83211471  0.71072869  0.28890365
   0.57870665  0.83212388  0.04098979
   0.84586625  0.98023805  0.34461245
   0.92349339  0.88062152  0.17243196
   0.66491467  0.90568521  0.21080779
   0.81355547  0.63744931  0.47160829
   0.54273505  0.57213908  0.38049709
   0.61151850  0.57693529  0.55778395
   0.84613941  0.70366715  0.78692423
   0.61071657  0.80708812  0.43160654
   0.90071552  0.94902225  0.84415576
   0.94317488  0.86489328  0.67364640
   0.67369309  0.92086459  0.74954515
   0.73600222  0.65302976  0.97071262
   0.50386641  0.67004116  0.89508131
   0.70639454  0.82490352  0.58417665
   0.55909364  0.86327728  0.39430808
   0.86068930  0.20626768  0.09685257
   1.00051435  0.42292640  0.30669772
   0.34314132  0.12077016  0.61926944
   0.22772060  0.77275720  0.77203922
   0.02794192  1.13384956  0.15409730
   0.26279847  1.08074007  0.02417550
   0.61325446  0.31294718  0.83207008
   0.91078075  0.33744119  0.61865773
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979179    0.431288   -0.003646
    -0.000000    9.878146    0.205087
    -0.000000    0.000000   13.958847
   Si   O    H 
    32    64    10
Direct configuration=   853
   0.16700339  0.18102652 -0.02588662
   0.38501844  0.09907842  0.37721028
   0.12482476  0.41343430  0.11058962
   0.36701043  0.35005629  0.24801573
   0.12193240  0.16985421  0.49720794
   0.41377632  0.13352688  0.84646466
   0.10631297  0.42814795  0.62870284
   0.35075767  0.38354979  0.74537846
   0.10699359  0.66518735  0.00854032
   0.38003543  0.59832187  0.37036514
   0.07099757  0.90275376  0.14232064
   0.32495751  0.85831376  0.25315089
   0.14851522  0.67865411  0.49757966
   0.34902673  0.62826007  0.85958337
   0.06720629  0.91789872  0.61570312
   0.35208035  0.98088147  0.67894785
   0.64360383  0.15454211  1.00094999
   0.86143528  0.14342319  0.37274089
   0.60289274  0.41837801  0.10617295
   0.85399547  0.30018963  0.17641872
   0.62859547  0.17076287  0.51377543
   0.89138495  0.09878310  0.87562290
   0.57291800  0.44480878  0.61337065
   0.74033821  0.35324244  0.79509133
   0.57711235  0.67883627  0.00085001
   0.90990651  0.61485648  0.37607468
   0.56171567  0.93255194  0.12730394
   0.81034043  0.86730625  0.25532591
   0.64043602  0.64615515  0.45430473
   0.83539775  0.61982269  0.89125538
   0.62550403  0.91848968  0.63544708
   0.82833778  0.86213207  0.75707377
   0.06395004  0.06246359  0.11345127
   0.36561185  0.19574835  0.28224573
   0.11320418  0.33701689  0.00955165
   0.31601362  0.45750662  0.33024472
   0.51421305  0.39041902  0.20388619
   0.27564791  0.38366115  0.15249589
   0.24678438  0.09695282  0.44421121
   0.00650029  0.19256793  0.40880507
   0.03745437  0.07252142  0.56974202
   0.44099578  0.24271658  0.75957222
   0.15490853  0.32563567  0.54131556
   0.37021876  0.46145577  0.84652135
   0.42354196  0.47949920  0.66197486
   0.19513684  0.36711125  0.71981579
   0.28468476  0.20864386 -0.11077912
   0.03792817  0.13612685  0.91433725
   0.09859835  0.57352758  0.10734623
   0.35266110  0.70335640  0.28034639
   0.10835550  0.81970911  0.04339085
   0.38390322  0.95098868  0.33820224
   0.40064206  0.90076904  0.15773623
   0.16405699  0.87338657  0.23140752
   0.30468344  0.65873669  0.46314707
   0.07456496  0.63313801  0.39973919
   0.12949405  0.58561511  0.59297697
   0.29325588  0.70334104  0.76398580
   0.09925686  0.82739458  0.52257436
   0.38008529  0.99592174  0.79789808
   0.47031215  0.87923920  0.64118252
   0.20118188  0.92642691  0.68369240
   0.25033445  0.64044990 -0.04518001
  -0.02230966  0.63775620  0.93925171
   0.57712007  0.09534183  0.09321602
   0.80491416  0.23464277  0.27407015
   0.61074296  0.31587897  0.01461496
   0.92024678  0.45304010  0.34585599
   0.01028469  0.34118098  0.18194482
   0.75569539  0.42184067  0.14907763
   0.77313623  0.18489564  0.46558937
   0.52209265  0.11920490  0.43526661
   0.65180019  0.06805295  0.59904871
   0.82493746  0.19778831  0.79439006
   0.55512771  0.31263008  0.54039335
   0.82148417  0.45520843  0.86191137
   0.95173211  0.39909423  0.66013113
   0.69849063  0.41182805  0.68770650
   0.79261647  0.11777787  0.97046682
   0.55147263  0.11755856  0.90493865
   0.53600610  0.56223933  0.07430958
   0.83037224  0.71247868  0.28877590
   0.57991568  0.83132109  0.04137077
   0.84659498  0.97925335  0.34411168
   0.92483615  0.88148752  0.17298306
   0.66549183  0.90613221  0.21126928
   0.81303283  0.63861948  0.47137716
   0.54282384  0.57437649  0.38098224
   0.61157634  0.57667855  0.55746721
   0.84907456  0.70436292  0.78582997
   0.61156379  0.80537237  0.43222908
   0.90056302  0.94855253  0.84298966
   0.94352861  0.86396697  0.67442195
   0.67363158  0.92192265  0.75074440
   0.73756558  0.65219271  0.97063240
   0.50466419  0.66962117  0.89626954
   0.71207001  0.82270800  0.58989693
   0.54997707  0.86423169  0.39111941
   0.85968727  0.20097925  0.09995679
   1.00709386  0.42861724  0.30884287
   0.34298353  0.11767268  0.61869541
   0.22147289  0.77307229  0.76712442
   0.02611280  1.12959992  0.15697148
   0.26649468  1.07996903  0.02325965
   0.61782808  0.31130364  0.83810345
   0.91190940  0.33518395  0.62105037
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979396    0.434381   -0.004790
    -0.000000    9.877321    0.208528
    -0.000000    0.000000   13.960371
   Si   O    H 
    32    64    10
Direct configuration=   854
   0.16700323  0.18219310 -0.02672412
   0.38482894  0.09982715  0.37665026
   0.12556343  0.41262405  0.11127715
   0.36748255  0.35046156  0.24897557
   0.12172977  0.17119266  0.49609573
   0.41493673  0.13357474  0.84652581
   0.10675278  0.42787116  0.62947557
   0.35163086  0.38227324  0.74500428
   0.10609648  0.66515386  0.00811026
   0.37934458  0.59808674  0.37115087
   0.07068103  0.90279413  0.14166631
   0.32542518  0.85793913  0.25289484
   0.14854770  0.67823900  0.49723280
   0.34948632  0.62751737  0.85937324
   0.06653247  0.91795727  0.61555918
   0.35205593  0.98079970  0.68023917
   0.64381850  0.15660159  1.00052624
   0.86129395  0.14401923  0.37296913
   0.60291006  0.41808585  0.10596630
   0.85237212  0.30034994  0.17593246
   0.62764529  0.17152625  0.51385656
   0.88999163  0.09918611  0.87542136
   0.57192462  0.44361769  0.61488574
   0.74087210  0.35379388  0.79557255
   0.57704121  0.67897175  0.00066270
   0.90953055  0.61326476  0.37615690
   0.56140633  0.93314425  0.12853476
   0.81089074  0.86722675  0.25471380
   0.64076581  0.64580377  0.45443598
   0.83528042  0.62006639  0.89135298
   0.62481565  0.91881644  0.63530231
   0.82830026  0.86197701  0.75615233
   0.06358133  0.06260404  0.11235261
   0.36596217  0.19413203  0.28213688
   0.11359124  0.33666828  0.00989176
   0.31636169  0.45826509  0.33098699
   0.51261802  0.38953851  0.20517884
   0.27392160  0.38256403  0.15071964
   0.24690653  0.09582164  0.44498869
   0.00627453  0.19335360  0.40639888
   0.03565417  0.07336815  0.57014837
   0.44278324  0.24411341  0.75974310
   0.15427645  0.32744551  0.54151474
   0.37081972  0.46120888  0.84711106
   0.42536160  0.47970299  0.66267216
   0.19478553  0.36836485  0.71974283
   0.28432406  0.20834250 -0.11056370
   0.03753208  0.13844775  0.91273593
   0.09942295  0.57367909  0.10629312
   0.35380415  0.70148004  0.28010506
   0.10830072  0.81776518  0.04527558
   0.38471801  0.94835212  0.33774504
   0.40258381  0.90090505  0.15775055
   0.16635725  0.87278963  0.23233911
   0.30591742  0.65853359  0.46413899
   0.07366197  0.63230217  0.40018784
   0.12798746  0.58545890  0.59223882
   0.29433804  0.70297172  0.76352571
   0.09734534  0.82812467  0.52339760
   0.38207119  0.99622527  0.79992615
   0.46753305  0.87848657  0.64130606
   0.20119387  0.92529916  0.68341718
   0.25046556  0.64110658 -0.04585045
  -0.02024448  0.63671794  0.93924167
   0.57574076  0.09482136  0.09358927
   0.80619982  0.23465751  0.27511231
   0.60999825  0.31595300  0.01452269
   0.91814876  0.45329862  0.34545096
   0.01135748  0.34083681  0.18192006
   0.75581532  0.42031308  0.14946441
   0.77366729  0.18631978  0.46546096
   0.52268835  0.12008617  0.43541700
   0.65280279  0.06751162  0.59941664
   0.82482125  0.19924536  0.79370984
   0.55501966  0.31188106  0.54124006
   0.81990807  0.45773469  0.86181975
   0.94988845  0.39819200  0.66152935
   0.69675225  0.41258317  0.68777747
   0.79081055  0.11728373  0.96966298
   0.54871729  0.11727041  0.90581076
   0.53543830  0.56248400  0.07516952
   0.82915121  0.71365928  0.28860529
   0.58042114  0.83064381  0.04128695
   0.84662271  0.97804349  0.34372587
   0.92534819  0.88224916  0.17356109
   0.66667656  0.90614954  0.21225331
   0.81287594  0.63901476  0.47130655
   0.54323695  0.57598766  0.38094015
   0.61157485  0.57665253  0.55756444
   0.85144644  0.70494230  0.78469331
   0.61316493  0.80501869  0.43302940
   0.90112039  0.94804106  0.84169794
   0.94359862  0.86317819  0.67471555
   0.67388943  0.92262187  0.75194725
   0.73784291  0.65150046  0.97139531
   0.50544456  0.66949888  0.89752764
   0.71727490  0.81790999  0.59246560
   0.54095322  0.86023679  0.39090102
   0.85811414  0.19998142  0.10275733
   1.00587058  0.43783087  0.31287803
   0.34333691  0.11349374  0.62069896
   0.21620317  0.77358173  0.76095656
   0.02283731  1.12338490  0.15586222
   0.26606573  1.08049352  0.02397732
   0.62468415  0.31496112  0.84593895
   0.90815060  0.32725839  0.62097569
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979517    0.437162   -0.005865
    -0.000000    9.876617    0.211780
    -0.000000    0.000000   13.961391
   Si   O    H 
    32    64    10
Direct configuration=   855
   0.16720346  0.18342391 -0.02748916
   0.38433798  0.10036930  0.37625395
   0.12646308  0.41245898  0.11196084
   0.36732337  0.35094995  0.24970308
   0.12178829  0.17300224  0.49491214
   0.41596823  0.13420765  0.84633132
   0.10615444  0.42767979  0.62972569
   0.35286375  0.38116724  0.74481235
   0.10527667  0.66500695  0.00775649
   0.37866929  0.59837499  0.37154220
   0.07015217  0.90294890  0.14066111
   0.32594948  0.85787331  0.25221774
   0.14829243  0.67830613  0.49701373
   0.34986853  0.62703094  0.85961447
   0.06619942  0.91840658  0.61529164
   0.35226435  0.98081573  0.68175484
   0.64317032  0.15824949  0.99994569
   0.86112398  0.14416174  0.37315047
   0.60324427  0.41734546  0.10653250
   0.85156085  0.30023307  0.17531552
   0.62730465  0.17270673  0.51378587
   0.88897003  0.09954138  0.87542178
   0.57095460  0.44266048  0.61629814
   0.74139138  0.35418924  0.79635877
   0.57662034  0.68023281  0.00029440
   0.90934218  0.61170365  0.37554409
   0.56070318  0.93350826  0.12960085
   0.81202191  0.86682750  0.25475147
   0.64073480  0.64549822  0.45513665
   0.83615678  0.61983638  0.89088438
   0.62479694  0.91871547  0.63554823
   0.82814102  0.86164231  0.75615349
   0.06371244  0.06254966  0.11086196
   0.36573331  0.19348606  0.28189008
   0.11309795  0.33635737  0.01058046
   0.31670666  0.45876997  0.33191238
   0.51132354  0.38862943  0.20639770
   0.27298319  0.38255177  0.14913764
   0.24800126  0.09505025  0.44556572
   0.00681682  0.19333342  0.40403229
   0.03510682  0.07370900  0.57037907
   0.44433582  0.24568212  0.75957496
   0.15348103  0.32920451  0.54127197
   0.37138216  0.46205312  0.84763007
   0.42739151  0.48022237  0.66354842
   0.19417597  0.37019698  0.71998555
   0.28401484  0.20783977 -0.11026021
   0.03723074  0.14046451  0.91159654
   0.10016846  0.57426018  0.10556586
   0.35517759  0.69896025  0.27958042
   0.10854362  0.81546457  0.04730413
   0.38602091  0.94575231  0.33741883
   0.40494219  0.90103721  0.15726446
   0.16931680  0.87160239  0.23388128
   0.30700674  0.65885913  0.46519754
   0.07342806  0.63190913  0.40040144
   0.12588843  0.58520934  0.59194505
   0.29586337  0.70209409  0.76340959
   0.09574837  0.82908979  0.52424489
   0.38338401  0.99577471  0.80122993
   0.46559926  0.87783313  0.64119714
   0.20127675  0.92458061  0.68276420
   0.25027104  0.64252004 -0.04663972
  -0.01849771  0.63595278  0.93859602
   0.57441823  0.09343172  0.09416117
   0.80748010  0.23502531  0.27650693
   0.60930252  0.31692925  0.01444956
   0.91587922  0.45336920  0.34471307
   0.01189161  0.34053312  0.18211058
   0.75564662  0.41911170  0.14935466
   0.77350409  0.18783778  0.46472967
   0.52225927  0.12120067  0.43618741
   0.65407660  0.06690088  0.60025043
   0.82394888  0.20133451  0.79297997
   0.55478534  0.31136485  0.54297317
   0.81929433  0.46013182  0.86166671
   0.94831168  0.39689442  0.66263460
   0.69539210  0.41345348  0.68810439
   0.78960304  0.11679759  0.96942282
   0.54680141  0.11697131  0.90641277
   0.53511453  0.56293753  0.07616401
   0.82886501  0.71289756  0.28804387
   0.58072870  0.83072554  0.04129131
   0.84597605  0.97734665  0.34295360
   0.92555324  0.88266194  0.17414482
   0.66785245  0.90535763  0.21334451
   0.81369982  0.63915860  0.47036663
   0.54367896  0.57663964  0.38111755
   0.61184115  0.57723585  0.55762925
   0.85338768  0.70514065  0.78413004
   0.61450939  0.80515958  0.43340662
   0.90083991  0.94725083  0.84013723
   0.94278097  0.86245497  0.67462800
   0.67396172  0.92303684  0.75299668
   0.73756819  0.65164277  0.97316092
   0.50596992  0.66809130  0.89913868
   0.71981403  0.81593678  0.59564753
   0.53730487  0.84973875  0.39530235
   0.85526669  0.19828426  0.10425920
   1.00311348  0.44577799  0.31733653
   0.34387547  0.10365325  0.62483095
   0.21695872  0.76800585  0.75801383
   0.01907340  1.12367033  0.15625064
   0.26254134  1.07957589  0.02470893
   0.62594673  0.32124605  0.85336992
   0.90556136  0.32558972  0.62293184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979842    0.440761   -0.006746
    -0.000000    9.875617    0.214514
    -0.000000    0.000000   13.962166
   Si   O    H 
    32    64    10
Direct configuration=   856
   0.16700969  0.18434626 -0.02862239
   0.38350382  0.10089594  0.37582997
   0.12712357  0.41281565  0.11286746
   0.36745205  0.35204929  0.25031712
   0.12118209  0.17488094  0.49359461
   0.41704889  0.13521733  0.84630767
   0.10513877  0.42698588  0.62984237
   0.35359071  0.38093526  0.74469505
   0.10432405  0.66472279  0.00684474
   0.37814496  0.59815082  0.37191214
   0.07025541  0.90289241  0.13965798
   0.32660788  0.85795763  0.25113273
   0.14793052  0.67812805  0.49712139
   0.35042070  0.62652794  0.86009280
   0.06555666  0.91901496  0.61488129
   0.35213933  0.98096317  0.68384558
   0.64273787  0.15971012  0.99918511
   0.86073047  0.14469320  0.37298821
   0.60343807  0.41709475  0.10712053
   0.85151132  0.29931732  0.17497223
   0.62804047  0.17435676  0.51352555
   0.88838171  0.10008952  0.87554599
   0.57028221  0.44158528  0.61705858
   0.74231630  0.35423703  0.79689409
   0.57635596  0.68168583 -0.00013254
   0.90868387  0.61097264  0.37485552
   0.55977958  0.93302328  0.13006127
   0.81365117  0.86608279  0.25490716
   0.64123151  0.64562691  0.45629347
   0.83752654  0.61951197  0.88988194
   0.62431325  0.91796783  0.63616203
   0.82825435  0.86145734  0.75608020
   0.06355142  0.06265088  0.10962313
   0.36550522  0.19271673  0.28147007
   0.11287300  0.33649942  0.01094158
   0.31691987  0.45951245  0.33295728
   0.51041703  0.38778624  0.20718959
   0.27195960  0.38230991  0.14805353
   0.25040391  0.09470930  0.44543139
   0.00732042  0.19326132  0.40217429
   0.03515384  0.07415383  0.57100082
   0.44602624  0.24756368  0.75934497
   0.15278177  0.33085000  0.54026882
   0.37219823  0.46264428  0.84752572
   0.42934361  0.48109012  0.66406411
   0.19362731  0.37233115  0.72017249
   0.28330272  0.20742044 -0.10929736
   0.03714776  0.14123429  0.91110113
   0.10054758  0.57411841  0.10422037
   0.35675291  0.69603511  0.27919287
   0.10874142  0.81348188  0.04953473
   0.38663516  0.94370724  0.33714788
   0.40732614  0.90175825  0.15646119
   0.17139577  0.87184586  0.23501697
   0.30795703  0.65897258  0.46626376
   0.07230123  0.63192034  0.40041095
   0.12380365  0.58435205  0.59200658
   0.29739109  0.70064319  0.76335577
   0.09398817  0.82930207  0.52519584
   0.38383886  0.99516765  0.80212389
   0.46390529  0.87662721  0.64108578
   0.20028770  0.92382129  0.68155636
   0.24958943  0.64398576 -0.04712931
  -0.01698065  0.63542108  0.93860063
   0.57361271  0.09126244  0.09466754
   0.80848121  0.23459369  0.27810633
   0.60796784  0.31842085  0.01505176
   0.91367332  0.45394460  0.34443041
   0.01200586  0.34037283  0.18272724
   0.75461851  0.41839148  0.14858901
   0.77305607  0.18922226  0.46401119
   0.52146793  0.12234998  0.43660120
   0.65587345  0.06644114  0.60091738
   0.82267722  0.20354826  0.79229398
   0.55539670  0.31101521  0.54526101
   0.81861908  0.46246824  0.86111844
   0.94747534  0.39531171  0.66384138
   0.69271468  0.41414532  0.68897644
   0.78884553  0.11629013  0.96919036
   0.54562567  0.11603193  0.90722041
   0.53450590  0.56291061  0.07711780
   0.82837163  0.71191524  0.28823932
   0.58102317  0.83098438  0.04127713
   0.84511670  0.97636481  0.34176736
   0.92425502  0.88248713  0.17489967
   0.66862592  0.90456483  0.21407101
   0.81403274  0.63844076  0.46869253
   0.54416914  0.57641512  0.38100098
   0.61181586  0.57838205  0.55758162
   0.85553256  0.70423274  0.78402183
   0.61515238  0.80557038  0.43370511
   0.90007923  0.94694496  0.83937930
   0.94155781  0.86222287  0.67443547
   0.67386098  0.92308418  0.75294262
   0.73662298  0.65195046  0.97511797
   0.50570097  0.66657489  0.90003164
   0.71944180  0.81605858  0.59702357
   0.53561314  0.83503135  0.40105663
   0.85453191  0.19627204  0.10203165
   1.00365255  0.44700382  0.31964687
   0.34405425  0.10058916  0.62776568
   0.22286494  0.76210182  0.75457504
   0.01557930  1.12363434  0.15673911
   0.25765311  1.07976982  0.02578516
   0.62688682  0.32847629  0.85995548
   0.90219631  0.33112707  0.63019985
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980034    0.443833   -0.007447
    -0.000000    9.874764    0.216794
    -0.000000    0.000000   13.962751
   Si   O    H 
    32    64    10
Direct configuration=   857
   0.16742696  0.18566304 -0.02963733
   0.38274351  0.10122420  0.37559292
   0.12734810  0.41216396  0.11430499
   0.36728092  0.35346113  0.25033798
   0.12025602  0.17663543  0.49212604
   0.41793192  0.13574429  0.84638280
   0.10390733  0.42638689  0.62961410
   0.35431730  0.38124551  0.74441654
   0.10338696  0.66524038  0.00578504
   0.37805444  0.59774047  0.37196101
   0.07106113  0.90310077  0.13876898
   0.32726069  0.85782898  0.25015182
   0.14735893  0.67771219  0.49758267
   0.35178278  0.62596632  0.86052361
   0.06493552  0.91981792  0.61465941
   0.35168580  0.98117304  0.68564864
   0.64236751  0.16134242  0.99833916
   0.86051179  0.14490289  0.37271036
   0.60327518  0.41733652  0.10772357
   0.85128563  0.29844851  0.17498308
   0.62842017  0.17529506  0.51321894
   0.88824506  0.10050269  0.87563041
   0.56984467  0.44021278  0.61752545
   0.74331443  0.35434836  0.79764802
   0.57649995  0.68295683 -0.00043229
   0.90807598  0.61151618  0.37409528
   0.55921971  0.93281342  0.13044187
   0.81507503  0.86533178  0.25538784
   0.64163247  0.64591522  0.45794958
   0.83904172  0.61868737  0.88878449
   0.62355308  0.91720784  0.63707258
   0.82864102  0.86137195  0.75566771
   0.06359610  0.06297543  0.10906964
   0.36553967  0.19297994  0.28106595
   0.11242204  0.33677516  0.01130653
   0.31703706  0.45959572  0.33429307
   0.51040773  0.38701623  0.20733755
   0.27121765  0.38246872  0.14796101
   0.25279822  0.09404542  0.44515406
   0.00747966  0.19233440  0.40051799
   0.03562681  0.07518162  0.57118147
   0.44704120  0.24942962  0.75924907
   0.15125645  0.33126611  0.53884957
   0.37350182  0.46324769  0.84700422
   0.43064477  0.48125975  0.66453658
   0.19292488  0.37508043  0.72003447
   0.28289511  0.20704880 -0.10882213
   0.03689168  0.14201249  0.91054826
   0.10062206  0.57442323  0.10317284
   0.35835619  0.69375137  0.27831895
   0.10865884  0.81231068  0.05180123
   0.38751033  0.94174520  0.33698648
   0.40997972  0.90210450  0.15576143
   0.17208344  0.87304141  0.23565916
   0.30902000  0.65984035  0.46740875
   0.07008091  0.63199596  0.40082266
   0.12259784  0.58291709  0.59241794
   0.29920706  0.69920314  0.76342397
   0.09288726  0.82864461  0.52581287
   0.38389456  0.99496647  0.80241812
   0.46328772  0.87447470  0.64048721
   0.19822229  0.92271643  0.68071827
   0.24895734  0.64608530 -0.04751099
  -0.01567392  0.63487322  0.93842501
   0.57280765  0.08865629  0.09528023
   0.80940861  0.23404266  0.27984344
   0.60716491  0.32051284  0.01581260
   0.91100238  0.45455433  0.34439265
   0.01201825  0.34131615  0.18337499
   0.75322988  0.41742572  0.14759757
   0.77291537  0.19078874  0.46339489
   0.52007734  0.12351809  0.43690180
   0.65725417  0.06610684  0.60123444
   0.82214241  0.20580309  0.79194328
   0.55489349  0.31134333  0.54711781
   0.81779526  0.46428450  0.86033548
   0.94702567  0.39398370  0.66518196
   0.69058286  0.41462515  0.69001691
   0.78779458  0.11647796  0.96869176
   0.54440648  0.11669905  0.90835805
   0.53419034  0.56289590  0.07730667
   0.82866071  0.71080751  0.28883586
   0.58150226  0.83188641  0.04125011
   0.84485961  0.97572793  0.34075654
   0.92209688  0.88161804  0.17571121
   0.66895377  0.90283915  0.21479049
   0.81377292  0.63760839  0.46649052
   0.54493415  0.57663051  0.38072489
   0.61103423  0.57902848  0.55789024
   0.85669387  0.70281007  0.78407981
   0.61549656  0.80623216  0.43399193
   0.89921229  0.94645869  0.83882700
   0.94090062  0.86175765  0.67447364
   0.67393375  0.92294859  0.75223562
   0.73504934  0.65175107  0.97727546
   0.50508803  0.66441054  0.90049498
   0.71805071  0.81701398  0.59623403
   0.52874872  0.82518149  0.40388456
   0.85192791  0.19424323  0.10110367
   1.01139922  0.44251757  0.31942566
   0.34214485  0.10059488  0.62777666
   0.22317514  0.75979309  0.75175939
   0.02016138  1.11710559  0.15335725
   0.25114929  1.08213486  0.02426128
   0.62727030  0.33524242  0.86307182
   0.89479122  0.32818314  0.63576927
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980267    0.447145   -0.008214
    -0.000000    9.873815    0.219121
    -0.000000    0.000000   13.963639
   Si   O    H 
    32    64    10
Direct configuration=   858
   0.16803154  0.18698950 -0.03064315
   0.38205520  0.10013607  0.37563588
   0.12680233  0.41064018  0.11552738
   0.36629005  0.35522107  0.24959427
   0.11916566  0.17782757  0.49078651
   0.41875528  0.13613010  0.84656864
   0.10249890  0.42555719  0.62916377
   0.35479433  0.38176467  0.74354645
   0.10247819  0.66560554  0.00497366
   0.37865876  0.59776324  0.37198025
   0.07185453  0.90384746  0.13811464
   0.32758544  0.85831176  0.24931515
   0.14698937  0.67687624  0.49802490
   0.35356103  0.62578335  0.86141269
   0.06435394  0.92070545  0.61439004
   0.35117731  0.98116524  0.68748687
   0.64100892  0.16259541  0.99724363
   0.86057154  0.14483782  0.37239021
   0.60247062  0.41787043  0.10806053
   0.85144832  0.29754022  0.17529924
   0.62850084  0.17610730  0.51321682
   0.88857008  0.10071497  0.87547594
   0.56940615  0.43879008  0.61738928
   0.74438117  0.35481828  0.79830941
   0.57656538  0.68392666 -0.00092256
   0.90780221  0.61148288  0.37339114
   0.55927738  0.93208043  0.13042612
   0.81618124  0.86532548  0.25613125
   0.64241517  0.64631365  0.45995887
   0.84078564  0.61890051  0.88724052
   0.62259315  0.91647118  0.63836402
   0.82925201  0.86173800  0.75580290
   0.06417495  0.06297356  0.10889786
   0.36586082  0.19416264  0.28061638
   0.11200403  0.33779721  0.01185893
   0.31706162  0.45950955  0.33554817
   0.51086051  0.38630770  0.20769844
   0.27228261  0.38251239  0.14849581
   0.25455146  0.09402967  0.44475240
   0.00802517  0.19149801  0.39908075
   0.03622267  0.07546305  0.57127986
   0.44762633  0.25047825  0.75902604
   0.14986297  0.33073910  0.53693122
   0.37474678  0.46386661  0.84592311
   0.43176170  0.48130671  0.66463430
   0.19293729  0.37764482  0.71993373
   0.28198865  0.20765714 -0.10833789
   0.03711183  0.14274036  0.90966670
   0.10090288  0.57351246  0.10306997
   0.35932819  0.69324187  0.27705603
   0.10831409  0.81172961  0.05342619
   0.38854193  0.94051685  0.33656253
   0.41191642  0.90228936  0.15556800
   0.17190426  0.87353152  0.23582278
   0.30948022  0.66051848  0.46829921
   0.06733456  0.63170210  0.40147351
   0.12115642  0.58162925  0.59299126
   0.30061723  0.69753072  0.76373227
   0.09225664  0.82775485  0.52610694
   0.38338206  0.99493334  0.80242187
   0.46288802  0.87295965  0.63954193
   0.19565395  0.92223539  0.68035558
   0.24762632  0.64899496 -0.04791478
  -0.01460621  0.63456202  0.93847027
   0.57176601  0.08660653  0.09562323
   0.81035994  0.23311902  0.28132912
   0.60673121  0.32242595  0.01717007
   0.90908445  0.45546300  0.34411603
   0.01229988  0.34166204  0.18351167
   0.75217189  0.41721701  0.14683912
   0.77263328  0.19221878  0.46292080
   0.51855726  0.12457959  0.43640363
   0.65857772  0.06610876  0.60138062
   0.82169477  0.20742179  0.79199735
   0.55433141  0.31182586  0.54852802
   0.81723636  0.46573425  0.85984187
   0.94694162  0.39291781  0.66611069
   0.68911540  0.41440171  0.69230651
   0.78731181  0.11689002  0.96842594
   0.54369108  0.11751401  0.90960218
   0.53409967  0.56204390  0.07745333
   0.82844563  0.70956592  0.28936104
   0.58283840  0.83266724  0.04171706
   0.84450247  0.97617120  0.33974627
   0.92013679  0.88065539  0.17633610
   0.66989818  0.90132194  0.21596428
   0.81266812  0.63722752  0.46391194
   0.54587681  0.57827098  0.38003544
   0.61019869  0.57926755  0.55789141
   0.85765654  0.70101672  0.78446881
   0.61609803  0.80679777  0.43433710
   0.89853725  0.94648560  0.83850205
   0.94073958  0.86147545  0.67441846
   0.67388725  0.92169509  0.75156981
   0.73361644  0.65181503  0.97905448
   0.50423532  0.66248874  0.90000289
   0.71361769  0.81470322  0.59461878
   0.52169833  0.81510421  0.40652524
   0.84784372  0.19300233  0.10045078
   1.00651122  0.43927960  0.32127905
   0.33734104  0.10643161  0.62714154
   0.22256728  0.76113899  0.74969586
   0.01878770  1.12000714  0.15389960
   0.24385902  1.08352383  0.02421509
   0.63033993  0.33908913  0.86482336
   0.88560839  0.32313890  0.63857778
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980759    0.450207   -0.009231
    -0.000000    9.872532    0.221002
    -0.000000    0.000000   13.964064
   Si   O    H 
    32    64    10
Direct configuration=   859
   0.16743497  0.18760942 -0.03169403
   0.38093847  0.09940152  0.37577323
   0.12644968  0.40929678  0.11644590
   0.36527248  0.35674088  0.24859748
   0.11769063  0.17902654  0.48926945
   0.41986940  0.13649275  0.84653497
   0.10099710  0.42419842  0.62869474
   0.35467880  0.38255362  0.74344631
   0.10169921  0.66627741  0.00420813
   0.37955819  0.59805576  0.37167968
   0.07198297  0.90520807  0.13813004
   0.32779291  0.85822321  0.24857439
   0.14723883  0.67636028  0.49858433
   0.35554708  0.62581100  0.86228566
   0.06364687  0.92248938  0.61449726
   0.35031469  0.98131541  0.68920756
   0.63937943  0.16314684  0.99612552
   0.86007224  0.14367868  0.37175981
   0.60140511  0.41939960  0.10816383
   0.85187204  0.29614674  0.17561547
   0.62882304  0.17711499  0.51349994
   0.88835921  0.10083644  0.87536342
   0.56920551  0.43815177  0.61734906
   0.74542903  0.35514625  0.79844428
   0.57682626  0.68477286 -0.00165118
   0.90724870  0.61163274  0.37277007
   0.55917845  0.93209679  0.13056161
   0.81692744  0.86529915  0.25690293
   0.64402425  0.64691697  0.46181968
   0.84231340  0.61870277  0.88583085
   0.62133506  0.91610337  0.63939119
   0.82972032  0.86112070  0.75685094
   0.06465582  0.06294509  0.10895172
   0.36598652  0.19619024  0.28035163
   0.11158885  0.33898503  0.01225712
   0.31727796  0.45877905  0.33638269
   0.51193318  0.38597257  0.20827527
   0.27329645  0.38207126  0.14986893
   0.25518558  0.09509117  0.44406429
   0.00933843  0.19056676  0.39787125
   0.03588547  0.07605925  0.57109316
   0.44860937  0.25076105  0.75894221
   0.14838699  0.32961403  0.53501430
   0.37550702  0.46462526  0.84458912
   0.43243882  0.48093496  0.66454783
   0.19365045  0.37959055  0.72004411
   0.28156299  0.20868741 -0.10797890
   0.03730293  0.14300042  0.90896555
   0.10064124  0.57243453  0.10277691
   0.35995843  0.69300495  0.27606324
   0.10900395  0.81092373  0.05475241
   0.38895580  0.93963416  0.33633494
   0.41300389  0.90281799  0.15564099
   0.17077970  0.87477297  0.23586205
   0.30902608  0.66063325  0.46892295
   0.06536041  0.63080760  0.40216787
   0.11973464  0.58110629  0.59376779
   0.30210169  0.69612149  0.76416220
   0.09228898  0.82676655  0.52612570
   0.38334477  0.99502593  0.80240593
   0.46210483  0.87081270  0.63837355
   0.19328717  0.92178156  0.68058520
   0.24585976  0.65242597 -0.04843529
  -0.01407287  0.63511420  0.93875030
   0.57011483  0.08531694  0.09561216
   0.81153431  0.23284576  0.28206234
   0.60631061  0.32428874  0.01801682
   0.90761553  0.45727917  0.34419360
   0.01205720  0.34197094  0.18364331
   0.75214654  0.41766386  0.14648223
   0.77242374  0.19391532  0.46223506
   0.51762228  0.12545640  0.43621839
   0.65955222  0.06730016  0.60087760
   0.82200146  0.20866229  0.79235772
   0.55400278  0.31165306  0.54934957
   0.81676210  0.46769814  0.85909510
   0.94726493  0.39193018  0.66640034
   0.68820607  0.41405952  0.69535423
   0.78729623  0.11675500  0.96773576
   0.54340131  0.11761206  0.91105551
   0.53398676  0.56165311  0.07762985
   0.82783243  0.70796388  0.29012846
   0.58464914  0.83253641  0.04243573
   0.84547554  0.97697812  0.33879291
   0.91846652  0.87994979  0.17677128
   0.66996241  0.89951327  0.21641407
   0.81111522  0.63702757  0.46146792
   0.54642223  0.57995803  0.37940340
   0.60977894  0.57842249  0.55870882
   0.85813701  0.69917709  0.78533680
   0.61613571  0.80761910  0.43482857
   0.89806616  0.94605198  0.83844161
   0.94044268  0.86197081  0.67396659
   0.67349255  0.92000310  0.75117223
   0.73308721  0.65272528  0.98035294
   0.50338650  0.66134798  0.89937228
   0.70668848  0.81135776  0.59217836
   0.52384544  0.80912681  0.40853845
   0.84429964  0.19492079  0.10069046
   0.99393653  0.43438869  0.32535209
   0.33514088  0.11171933  0.62469029
   0.22331710  0.76118442  0.74888915
   0.01326732  1.12305187  0.15595316
   0.23887994  1.08412424  0.02453846
   0.63464567  0.34243844  0.86239840
   0.88265211  0.32398031  0.64384451
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980841    0.453475   -0.010045
    -0.000000    9.871539    0.222731
    -0.000000    0.000000   13.964207
   Si   O    H 
    32    64    10
Direct configuration=   860
   0.16700274  0.18854077 -0.03268109
   0.38067188  0.09839957  0.37602487
   0.12530336  0.40833395  0.11747482
   0.36449905  0.35905064  0.24744878
   0.11567762  0.17995662  0.48812192
   0.42035899  0.13709435  0.84628356
   0.09944691  0.42306652  0.62809577
   0.35439886  0.38372979  0.74309682
   0.10153171  0.66663526  0.00361083
   0.38027496  0.59812073  0.37175114
   0.07181357  0.90651460  0.13834140
   0.32805854  0.85789968  0.24767784
   0.14756215  0.67572037  0.49890459
   0.35695353  0.62609770  0.86366581
   0.06235789  0.92411651  0.61389298
   0.34982219  0.98150468  0.69091225
   0.63825454  0.16285786  0.99517619
   0.85965604  0.14253229  0.37116079
   0.59997197  0.42116217  0.10845408
   0.85304641  0.29467278  0.17633127
   0.62863489  0.17773810  0.51344453
   0.88799209  0.10164158  0.87546189
   0.56873361  0.43763670  0.61745100
   0.74646574  0.35559712  0.79864649
   0.57735941  0.68520634 -0.00217703
   0.90577491  0.61151219  0.37216696
   0.55885966  0.93186116  0.13102192
   0.81788425  0.86487986  0.25806372
   0.64600445  0.64750153  0.46302240
   0.84278773  0.61833423  0.88462802
   0.62057682  0.91494224  0.64016288
   0.83046086  0.85984329  0.75780550
   0.06454023  0.06334190  0.10886783
   0.36642573  0.19716215  0.28064265
   0.11106211  0.34003737  0.01280864
   0.31793730  0.45734208  0.33728602
   0.51251730  0.38522683  0.20854880
   0.27548503  0.38097858  0.15163697
   0.25533350  0.09660994  0.44392181
   0.01074229  0.18891858  0.39658383
   0.03562877  0.07662962  0.57070483
   0.44917407  0.25046157  0.75834811
   0.14688861  0.32921248  0.53356149
   0.37662843  0.46551670  0.84307438
   0.43208482  0.48000464  0.66487289
   0.19560254  0.38264229  0.72004117
   0.28177328  0.20956563 -0.10817046
   0.03829940  0.14256846  0.90839968
   0.10083229  0.57135346  0.10263686
   0.36015246  0.69355705  0.27505655
   0.10954807  0.81049286  0.05523733
   0.38941896  0.93920349  0.33647902
   0.41297321  0.90275938  0.15599942
   0.16906939  0.87552470  0.23503437
   0.30873978  0.66158392  0.46896886
   0.06277436  0.63117589  0.40263372
   0.11836417  0.58043404  0.59411036
   0.30265107  0.69503651  0.76443350
   0.09274453  0.82543383  0.52530945
   0.38337130  0.99568940  0.80218120
   0.46054394  0.86953260  0.63763240
   0.19108665  0.92048305  0.68068592
   0.24393615  0.65517373 -0.04926404
  -0.01605823  0.63648636  0.93871974
   0.56935387  0.08470007  0.09521509
   0.81378734  0.23157086  0.28254318
   0.60526945  0.32561929  0.01899076
   0.90586659  0.45868704  0.34468728
   0.01103765  0.34237050  0.18393362
   0.75246674  0.41898476  0.14664629
   0.77200771  0.19483964  0.46219075
   0.51758070  0.12643368  0.43579101
   0.65992520  0.06871034  0.60062364
   0.82208223  0.20981206  0.79261523
   0.55416975  0.31178280  0.55021252
   0.81643208  0.46935508  0.85910259
   0.94816311  0.39121408  0.66666024
   0.68735647  0.41326278  0.69707913
   0.78740246  0.11622992  0.96699315
   0.54392480  0.11702610  0.91239004
   0.53339442  0.56203220  0.07735049
   0.82726743  0.70651128  0.29026818
   0.58644999  0.83249199  0.04307682
   0.84610280  0.97784786  0.33765226
   0.91763461  0.87958819  0.17734175
   0.66951427  0.89810738  0.21636685
   0.80998214  0.63600897  0.45869762
   0.54721226  0.58067404  0.37930957
   0.60894499  0.57728161  0.56049346
   0.85873918  0.69899030  0.78585987
   0.61676341  0.80885365  0.43481428
   0.89661911  0.94599147  0.83892454
   0.94103512  0.86248759  0.67375865
   0.67280073  0.91795573  0.75069883
   0.73350322  0.65313239  0.98051929
   0.50311419  0.66080651  0.89821782
   0.69818522  0.80725391  0.59327621
   0.52892357  0.81180351  0.40637270
   0.84623180  0.19755154  0.10141737
   0.99280864  0.42236367  0.32587175
   0.33289235  0.11361163  0.62353183
   0.22819203  0.75624383  0.75180855
   0.00954341  1.12031256  0.15517432
   0.23784922  1.08688510  0.02591330
   0.63199361  0.34504277  0.86200739
   0.88020624  0.32916535  0.64884676
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980639    0.457078   -0.010475
    -0.000000    9.870718    0.223957
    -0.000000    0.000000   13.964046
   Si   O    H 
    32    64    10
Direct configuration=   861
   0.16679940  0.18872796 -0.03320235
   0.38062761  0.09824673  0.37630735
   0.12434151  0.40739222  0.11838804
   0.36409493  0.36174630  0.24659646
   0.11435899  0.18065435  0.48710819
   0.42006291  0.13840358  0.84586113
   0.09778380  0.42175142  0.62756526
   0.35395392  0.38560754  0.74334757
   0.10169068  0.66667531  0.00328329
   0.38051265  0.59799645  0.37160810
   0.07125739  0.90752539  0.13864334
   0.32797444  0.85741138  0.24701490
   0.14757780  0.67516117  0.49878478
   0.35828065  0.62618072  0.86527735
   0.06124080  0.92551096  0.61322235
   0.34920956  0.98083876  0.69218631
   0.63745693  0.16248004  0.99475596
   0.85984195  0.14197906  0.37059764
   0.59852204  0.42260531  0.10876049
   0.85481936  0.29402864  0.17714208
   0.62844673  0.17813354  0.51295481
   0.88783402  0.10235985  0.87560641
   0.56872755  0.43771383  0.61766221
   0.74650231  0.35578829  0.79891981
   0.57804525  0.68487085 -0.00201687
   0.90488536  0.61093631  0.37137475
   0.55923259  0.93167399  0.13150655
   0.81834623  0.86397377  0.25898985
   0.64770371  0.64881286  0.46371090
   0.84308347  0.61809701  0.88401222
   0.62024461  0.91351084  0.64087202
   0.83109303  0.85830723  0.75904750
   0.06413368  0.06418580  0.10912408
   0.36672465  0.19849847  0.28092907
   0.11055954  0.34073816  0.01310229
   0.31826187  0.45610301  0.33818497
   0.51270696  0.38485442  0.20886276
   0.27781180  0.37943714  0.15351535
   0.25366861  0.09834701  0.44397128
   0.01286135  0.18721507  0.39509523
   0.03571155  0.07815509  0.57005392
   0.45024386  0.24913339  0.75761764
   0.14562478  0.32831622  0.53276765
   0.37715060  0.46600731  0.84098699
   0.43142847  0.47940858  0.66583250
   0.19765956  0.38520753  0.71964363
   0.28271518  0.21053951 -0.10849293
   0.03848874  0.14220949  0.90758880
   0.10101726  0.57067481  0.10165796
   0.35981509  0.69408831  0.27385736
   0.11026649  0.81040772  0.05506687
   0.38935626  0.93896793  0.33644183
   0.41165464  0.90227304  0.15622103
   0.16717394  0.87737906  0.23384012
   0.30886486  0.66200926  0.46910986
   0.06169807  0.63209856  0.40353573
   0.11714134  0.58040230  0.59469107
   0.30355940  0.69382956  0.76512751
   0.09287330  0.82404780  0.52473090
   0.38292238  0.99568004  0.80234346
   0.45885975  0.86927085  0.63667047
   0.18897333  0.92015256  0.68071434
   0.24250823  0.65770977 -0.04969944
  -0.01753339  0.63762279  0.93880277
   0.56983503  0.08442101  0.09514894
   0.81555040  0.23071998  0.28239817
   0.60360583  0.32645635  0.01923746
   0.90484030  0.45981550  0.34439024
   0.00996871  0.34272669  0.18439110
   0.75223538  0.42050982  0.14632933
   0.77126985  0.19566241  0.46166296
   0.51704214  0.12646821  0.43537108
   0.66171337  0.06936616  0.60010032
   0.82251002  0.21021856  0.79282671
   0.55390790  0.31238571  0.55140619
   0.81639681  0.47004917  0.85880074
   0.94871030  0.39145798  0.66685253
   0.68741152  0.41248174  0.69854755
   0.78749759  0.11567008  0.96651444
   0.54438834  0.11636508  0.91402716
   0.53295395  0.56309070  0.07706983
   0.82697529  0.70587570  0.29030945
   0.58774577  0.83192415  0.04375285
   0.84639415  0.97935211  0.33696703
   0.91819411  0.87855424  0.17728664
   0.66862605  0.89626511  0.21659546
   0.80836655  0.63536469  0.45647284
   0.54778458  0.58124680  0.37867590
   0.60814663  0.57589253  0.56279164
   0.85860948  0.69965005  0.78648894
   0.61756878  0.81028910  0.43501951
   0.89639913  0.94658586  0.83968804
   0.94108513  0.86361323  0.67332537
   0.67297978  0.91560774  0.75092487
   0.73361317  0.65347174  0.98026271
   0.50313527  0.66031806  0.89689397
   0.69148603  0.80378596  0.59398643
   0.52924665  0.82173776  0.40111125
   0.84855438  0.19873916  0.10411276
   0.99134045  0.41023307  0.32736987
   0.33185661  0.11153843  0.62485485
   0.22645232  0.75344470  0.75363942
   0.01278994  1.11281413  0.15199062
   0.23698353  1.08752129  0.02898171
   0.62829197  0.34633076  0.86033427
   0.87855962  0.33358451  0.65090803
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980364    0.461409   -0.011152
    -0.000000    9.870095    0.225045
    -0.000000    0.000000   13.964221
   Si   O    H 
    32    64    10
Direct configuration=   862
   0.16657339  0.18883560 -0.03313564
   0.38084827  0.09806740  0.37628651
   0.12363148  0.40590893  0.11921219
   0.36377126  0.36408558  0.24611122
   0.11322051  0.18128244  0.48625459
   0.41964373  0.13964439  0.84518807
   0.09603298  0.42063061  0.62722799
   0.35383001  0.38791469  0.74343293
   0.10196321  0.66705294  0.00330502
   0.38168389  0.59829248  0.37110593
   0.07098326  0.90850231  0.13878500
   0.32788027  0.85629486  0.24656711
   0.14730152  0.67489131  0.49868254
   0.35908223  0.62619124  0.86697501
   0.06045408  0.92691295  0.61303399
   0.34804358  0.98029029  0.69286179
   0.63647619  0.16192266  0.99492173
   0.86007397  0.14153610  0.37044669
   0.59752003  0.42326250  0.10891044
   0.85607803  0.29357022  0.17777698
   0.62843555  0.17810642  0.51223032
   0.88810177  0.10297914  0.87608988
   0.56866558  0.43815501  0.61811320
   0.74624152  0.35628935  0.79944344
   0.57877717  0.68418448 -0.00143427
   0.90389486  0.61075107  0.37056979
   0.55999020  0.93166554  0.13190604
   0.81852580  0.86337423  0.25982187
   0.64917925  0.64978928  0.46371948
   0.84332515  0.61843200  0.88357717
   0.62007907  0.91254323  0.64113258
   0.83212043  0.85641020  0.75999700
   0.06408126  0.06517185  0.10835631
   0.36764091  0.19953897  0.28157180
   0.11060569  0.34045106  0.01445961
   0.31840971  0.45473384  0.33900737
   0.51345795  0.38410984  0.20895830
   0.27909232  0.37811043  0.15491318
   0.25136008  0.09971568  0.44443576
   0.01451139  0.18603097  0.39405622
   0.03583443  0.08018187  0.56899652
   0.45198492  0.24780321  0.75684795
   0.14414193  0.32764247  0.53253039
   0.37723102  0.46609273  0.83961262
   0.43143453  0.47856151  0.66713896
   0.19946536  0.38747560  0.71909486
   0.28413145  0.21156660 -0.10892313
   0.03843772  0.14209990  0.90671028
   0.10083278  0.56966018  0.10073067
   0.35972209  0.69537074  0.27304526
   0.11046899  0.81144018  0.05408872
   0.38947024  0.93789196  0.33729185
   0.40989515  0.90149694  0.15665885
   0.16646791  0.87960374  0.23315780
   0.30917713  0.66260510  0.46843006
   0.06113990  0.63343067  0.40443312
   0.11576284  0.57936072  0.59498320
   0.30423046  0.69305855  0.76593285
   0.09316558  0.82382136  0.52337254
   0.38260419  0.99565072  0.80317629
   0.45812995  0.86968949  0.63610248
   0.18830488  0.92009105  0.68115780
   0.24152408  0.65878275 -0.05040035
  -0.01986343  0.63868125  0.93916284
   0.57089457  0.08510745  0.09481178
   0.81745248  0.22975693  0.28193733
   0.60297472  0.32587019  0.01934205
   0.90442006  0.46031358  0.34378834
   0.00885860  0.34328151  0.18464908
   0.75224744  0.42182518  0.14580738
   0.77054964  0.19673624  0.46129850
   0.51670853  0.12603808  0.43489864
   0.66377457  0.06912913  0.59981216
   0.82339854  0.21025453  0.79300648
   0.55306126  0.31315921  0.55260044
   0.81715183  0.46975331  0.85924004
   0.94952138  0.39179311  0.66718242
   0.68786682  0.41153620  0.69917197
   0.78726438  0.11488407  0.96497653
   0.54466793  0.11506593  0.91553203
   0.53256335  0.56522144  0.07634965
   0.82745051  0.70497279  0.28983167
   0.58881496  0.83181968  0.04438013
   0.84670718  0.98175124  0.33653596
   0.91916663  0.87778356  0.17655163
   0.66711275  0.89498403  0.21682519
   0.80572283  0.63475125  0.45532577
   0.54839328  0.58183309  0.37858830
   0.60792059  0.57416603  0.56485211
   0.85797036  0.70082695  0.78666426
   0.61825704  0.81183625  0.43510335
   0.89612162  0.94778534  0.84052423
   0.94107558  0.86457243  0.67333191
   0.67289805  0.91360767  0.75058721
   0.73351764  0.65232280  0.97892814
   0.50291015  0.66015476  0.89589607
   0.69171209  0.79560668  0.59271350
   0.53430741  0.83083465  0.39650100
   0.84866584  0.20023106  0.10456117
   0.98282395  0.40389990  0.32971980
   0.33280364  0.10789839  0.62814252
   0.21900086  0.75275966  0.75789983
   0.00758947  1.11574006  0.15471440
   0.23687016  1.08769834  0.03141518
   0.62439749  0.34862410  0.85902888
   0.87762645  0.33902465  0.64755780
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979743    0.465563   -0.012198
    -0.000000    9.869455    0.226661
    -0.000000    0.000000   13.964139
   Si   O    H 
    32    64    10
Direct configuration=   863
   0.16634226  0.18873385 -0.03256831
   0.38093025  0.09869762  0.37683001
   0.12355491  0.40465168  0.11949030
   0.36356007  0.36558408  0.24606299
   0.11273263  0.18051066  0.48592075
   0.41890860  0.14119009  0.84463015
   0.09438727  0.41888113  0.62673517
   0.35401638  0.39035371  0.74358242
   0.10213092  0.66812596  0.00330502
   0.38246070  0.59902894  0.37033309
   0.07073414  0.90890148  0.13959531
   0.32843182  0.85526721  0.24651082
   0.14701711  0.67458003  0.49808355
   0.35979615  0.62624291  0.86843552
   0.05980004  0.92770260  0.61311493
   0.34656909  0.97937436  0.69309243
   0.63548182  0.16198857  0.99521582
   0.86029552  0.14066009  0.37019966
   0.59687700  0.42422388  0.10944937
   0.85682054  0.29414803  0.17805700
   0.62835660  0.17782361  0.51155172
   0.88848884  0.10388666  0.87660394
   0.56854326  0.43885854  0.61845996
   0.74525479  0.35682380  0.80011596
   0.57955571  0.68390231 -0.00128934
   0.90375519  0.61116048  0.36952429
   0.56019729  0.93125652  0.13244174
   0.81808273  0.86347703  0.26083533
   0.65037252  0.65069860  0.46325549
   0.84362596  0.61867520  0.88367575
   0.61965431  0.91207953  0.64106218
   0.83332872  0.85488011  0.76111640
   0.06349456  0.06630517  0.10760622
   0.36895025  0.20101378  0.28184575
   0.11063183  0.33990445  0.01581934
   0.31867205  0.45434954  0.33916966
   0.51460571  0.38363150  0.20904224
   0.27979349  0.37750008  0.15686365
   0.24954047  0.10096413  0.44495505
   0.01626823  0.18531706  0.39267937
   0.03613651  0.08276399  0.56809889
   0.45357146  0.24707944  0.75640355
   0.14223356  0.32691449  0.53231946
   0.37803683  0.46648850  0.83881229
   0.43211471  0.47792197  0.66853979
   0.20073338  0.38967839  0.71878694
   0.28627693  0.21237205 -0.10891262
   0.03846702  0.14191533  0.90572420
   0.10115257  0.56828732  0.09985392
   0.35981570  0.69684157  0.27290767
   0.11075194  0.81155150  0.05309400
   0.38939880  0.93704919  0.33800329
   0.40840613  0.90000543  0.15684633
   0.16547468  0.88147471  0.23194338
   0.30986431  0.66249997  0.46762356
   0.06003838  0.63421464  0.40528085
   0.11482333  0.57770327  0.59533865
   0.30373567  0.69318018  0.76631042
   0.09363983  0.82412471  0.52252520
   0.38281116  0.99602563  0.80398140
   0.45798348  0.87064549  0.63572728
   0.18747866  0.92045565  0.68154043
   0.24151438  0.65996302 -0.05104087
  -0.02216261  0.63983100  0.93941918
   0.57166785  0.08598287  0.09456182
   0.81970889  0.22870568  0.28151084
   0.60189709  0.32481290  0.01948888
   0.90427979  0.45990038  0.34330103
   0.00756633  0.34289350  0.18503063
   0.75173252  0.42331189  0.14538603
   0.76946358  0.19709805  0.46059894
   0.51643019  0.12491607  0.43513563
   0.66456918  0.06839359  0.59984137
   0.82509361  0.20932242  0.79290203
   0.55195830  0.31384222  0.55297767
   0.81830949  0.46891715  0.85964092
   0.95023868  0.39171773  0.66727201
   0.68874342  0.41123922  0.69997421
   0.78650174  0.11468358  0.96408488
   0.54518102  0.11394166  0.91643048
   0.53108658  0.56776840  0.07517991
   0.82814484  0.70430286  0.28986249
   0.58976441  0.83233325  0.04518159
   0.84801152  0.98463063  0.33699314
   0.92124966  0.87733776  0.17585841
   0.66605596  0.89413744  0.21685078
   0.80380760  0.63391589  0.45479743
   0.54831794  0.58191773  0.37883185
   0.60734185  0.57354583  0.56650896
   0.85689894  0.70126290  0.78689738
   0.61848205  0.81383769  0.43553340
   0.89582062  0.94974060  0.84235287
   0.94077132  0.86588932  0.67367434
   0.67314636  0.91072874  0.75083697
   0.73371656  0.65069574  0.97701288
   0.50344755  0.66081815  0.89510052
   0.69593867  0.79177377  0.59313387
   0.54154048  0.84072199  0.39336516
   0.85019663  0.19948958  0.10363887
   0.97464079  0.39937082  0.33091804
   0.33841310  0.10222231  0.63175256
   0.21972176  0.74821087  0.76247522
   0.00660551  1.11957786  0.15492617
   0.23551316  1.09118398  0.03322254
   0.62161272  0.34962271  0.85558205
   0.87443521  0.34110949  0.64210573
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978486    0.470035   -0.012815
    -0.000000    9.868757    0.228237
    -0.000000    0.000000   13.964279
   Si   O    H 
    32    64    10
Direct configuration=   864
   0.16645049  0.18892460 -0.03159593
   0.38143919  0.09873739  0.37754514
   0.12346525  0.40333302  0.11990051
   0.36360388  0.36667079  0.24635414
   0.11220576  0.17996453  0.48610203
   0.41793844  0.14273716  0.84401970
   0.09349427  0.41736778  0.62653490
   0.35477368  0.39269477  0.74388951
   0.10288057  0.66871164  0.00338669
   0.38297821  0.60002513  0.36990155
   0.06986932  0.90918402  0.14065305
   0.32864961  0.85480010  0.24675357
   0.14717902  0.67441286  0.49776325
   0.35995887  0.62625420  0.86990062
   0.05948139  0.92834839  0.61338377
   0.34489282  0.97809935  0.69281782
   0.63432300  0.16233555  0.99575925
   0.86044730  0.13957484  0.37016754
   0.59553897  0.42507618  0.10989425
   0.85730876  0.29500338  0.17858466
   0.62836283  0.17756518  0.51073940
   0.88899247  0.10433188  0.87699934
   0.56841275  0.43984292  0.61895896
   0.74419982  0.35720974  0.80093652
   0.58083940  0.68336461 -0.00086672
   0.90438462  0.61149241  0.36880603
   0.56050248  0.93071513  0.13272316
   0.81664109  0.86365900  0.26158643
   0.65071211  0.65116783  0.46305470
   0.84338305  0.61900520  0.88388313
   0.61898575  0.91172853  0.64096133
   0.83424785  0.85373404  0.76190844
   0.06261338  0.06835682  0.10734689
   0.37041023  0.20197095  0.28276127
   0.11070111  0.33848176  0.01658001
   0.31898820  0.45381629  0.34048076
   0.51601614  0.38344168  0.20857301
   0.27976306  0.37661448  0.15817709
   0.24813600  0.10127322  0.44551951
   0.01758270  0.18430184  0.39129189
   0.03703908  0.08600469  0.56702984
   0.45455346  0.24640870  0.75600575
   0.13998095  0.32653503  0.53167094
   0.37936192  0.46635059  0.83828490
   0.43282065  0.47765550  0.66908899
   0.20182492  0.39118204  0.71763874
   0.28838294  0.21287787 -0.10882976
   0.03891952  0.14164476  0.90436207
   0.10179788  0.56680036  0.09983130
   0.35981015  0.69819171  0.27260948
   0.11103478  0.81178482  0.05165857
   0.38899519  0.93708611  0.33827360
   0.40666634  0.89896542  0.15698399
   0.16385006  0.88375428  0.23144872
   0.31100486  0.66216308  0.46648298
   0.05868174  0.63622163  0.40578560
   0.11320785  0.57546586  0.59536748
   0.30285227  0.69352425  0.76651143
   0.09410531  0.82425285  0.52188669
   0.38322594  0.99542925  0.80455911
   0.45770256  0.87212597  0.63553175
   0.18758622  0.92032717  0.68192309
   0.24159105  0.66075451 -0.05248663
  -0.02447927  0.64098723  0.93937496
   0.57314568  0.08694080  0.09437282
   0.82117845  0.22811482  0.28032203
   0.60069739  0.32442865  0.01954814
   0.90379973  0.46036029  0.34295356
   0.00660974  0.34179539  0.18516475
   0.75073066  0.42512776  0.14489346
   0.76952535  0.19773161  0.45994021
   0.51660579  0.12435586  0.43507401
   0.66494874  0.06703859  0.60012804
   0.82638256  0.20771236  0.79294225
   0.55140088  0.31390098  0.55301135
   0.81883671  0.46672312  0.85999966
   0.94970261  0.39182386  0.66710025
   0.68934236  0.41116686  0.70049942
   0.78599859  0.11499310  0.96341661
   0.54601630  0.11217050  0.91677856
   0.52937800  0.57000112  0.07380280
   0.82836110  0.70405081  0.28947992
   0.59098530  0.83193902  0.04561586
   0.84945949  0.98722304  0.33713239
   0.92350872  0.87653595  0.17509241
   0.66455642  0.89330451  0.21772114
   0.80288008  0.63357700  0.45487810
   0.54760323  0.58173842  0.37885187
   0.60716332  0.57343033  0.56762293
   0.85609087  0.70088815  0.78756237
   0.61848695  0.81591552  0.43596916
   0.89524718  0.95160265  0.84373667
   0.93961073  0.86705090  0.67411563
   0.67333948  0.90874984  0.75060643
   0.73458471  0.64923079  0.97433367
   0.50426910  0.66163528  0.89441471
   0.69870526  0.78976329  0.59404569
   0.54970894  0.84910941  0.39122299
   0.85133728  0.19525903  0.10031026
   0.97438696  0.39210791  0.33049929
   0.34396808  0.10004620  0.63352574
   0.22325448  0.74457090  0.76505675
   0.01064003  1.12167095  0.15200799
   0.23253965  1.09500301  0.03488400
   0.61629613  0.34844686  0.85228344
   0.87963553  0.34270503  0.63573502
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.976935    0.475149   -0.012670
    -0.000000    9.868124    0.229747
    -0.000000    0.000000   13.964624
   Si   O    H 
    32    64    10
Direct configuration=   865
   0.16648621  0.18872979 -0.03051796
   0.38168060  0.09923751  0.37785789
   0.12388669  0.40177581  0.11995238
   0.36385792  0.36663715  0.24713321
   0.11196786  0.17896306  0.48604077
   0.41689294  0.14403383  0.84360204
   0.09318167  0.41601771  0.62644211
   0.35601936  0.39474556  0.74418700
   0.10413423  0.66846508  0.00338436
   0.38391654  0.60083588  0.36922779
   0.06956100  0.90939203  0.14183573
   0.32889321  0.85421132  0.24715941
   0.14734734  0.67365507  0.49752692
   0.35991044  0.62558267  0.87105300
   0.05898684  0.92957313  0.61350426
   0.34324556  0.97697495  0.69250188
   0.63348871  0.16263527  0.99635519
   0.86041501  0.13908006  0.37045740
   0.59406382  0.42615401  0.11037515
   0.85743023  0.29604825  0.17892835
   0.62836947  0.17712347  0.51004750
   0.88890946  0.10489246  0.87721383
   0.56847245  0.44068528  0.61978943
   0.74321192  0.35610182  0.80143394
   0.58209905  0.68297355 -0.00057032
   0.90551741  0.61150240  0.36813656
   0.56051333  0.93038536  0.13311832
   0.81568544  0.86458552  0.26227152
   0.64963667  0.65196014  0.46266817
   0.84241620  0.61867596  0.88461898
   0.61831552  0.91133698  0.64097589
   0.83454993  0.85248477  0.76271810
   0.06157949  0.06980160  0.10684618
   0.37116844  0.20307810  0.28436932
   0.11084048  0.33694262  0.01694994
   0.31983043  0.45533365  0.34190297
   0.51662644  0.38393856  0.20789274
   0.27852683  0.37640937  0.15864512
   0.24696414  0.10208990  0.44584229
   0.01840447  0.18280931  0.39006333
   0.03863842  0.08803578  0.56668639
   0.45471484  0.24593125  0.75533830
   0.13750655  0.32693102  0.53075640
   0.38155428  0.46571248  0.83902987
   0.43399385  0.47774383  0.66852056
   0.20208699  0.39292103  0.71603057
   0.29000586  0.21451997 -0.10887252
   0.03902244  0.14116811  0.90348417
   0.10297525  0.56571329  0.10059771
   0.36039929  0.69898107  0.27210444
   0.11087178  0.81312584  0.05024511
   0.38841875  0.93807793  0.33872883
   0.40552454  0.89837115  0.15682485
   0.16283423  0.88576396  0.23053976
   0.31148194  0.66247878  0.46589219
   0.05737911  0.63897656  0.40631842
   0.11193100  0.57371822  0.59539088
   0.30235451  0.69323860  0.76639702
   0.09438007  0.82494457  0.52165041
   0.38361140  0.99465207  0.80559425
   0.45730921  0.87383141  0.63610086
   0.18837577  0.92052861  0.68320752
   0.24205903  0.66141788 -0.05477895
  -0.02605439  0.64253706  0.93938442
   0.57497009  0.08826839  0.09477151
   0.82269948  0.22759668  0.27895759
   0.59937794  0.32330618  0.01913439
   0.90369866  0.45894997  0.34245567
   0.00665656  0.34037802  0.18563313
   0.74986290  0.42695848  0.14431235
   0.76932161  0.19759028  0.45897750
   0.51777656  0.12419886  0.43499582
   0.66529926  0.06534200  0.59982632
   0.82776333  0.20689303  0.79282236
   0.55097344  0.31327883  0.55333918
   0.81951983  0.46527285  0.86063449
   0.94919664  0.39169949  0.66724457
   0.69035393  0.41102261  0.70061585
   0.78564878  0.11485606  0.96351643
   0.54590538  0.11115619  0.91634458
   0.52765829  0.57197066  0.07243087
   0.82916829  0.70450437  0.28978856
   0.59177556  0.83183574  0.04581767
   0.85131269  0.98904360  0.33732664
   0.92489986  0.87587346  0.17469541
   0.66287336  0.89240600  0.21857472
   0.80263016  0.63296434  0.45489068
   0.54589633  0.58113530  0.37952299
   0.60747421  0.57415250  0.56781456
   0.85524237  0.70016096  0.78773993
   0.61880956  0.81774445  0.43633554
   0.89424021  0.95282181  0.84370656
   0.93893756  0.86793505  0.67450056
   0.67452824  0.90639817  0.75066549
   0.73595450  0.64833343  0.97192535
   0.50578585  0.66347309  0.89366560
   0.70129967  0.79171469  0.59654354
   0.55350474  0.85958447  0.38935759
   0.85382692  0.18781784  0.09938471
   0.97078915  0.39302364  0.33084494
   0.34764472  0.10623502  0.63529145
   0.21996249  0.74956265  0.76740109
   0.01726274  1.12298403  0.15152085
   0.23051317  1.09659900  0.03646105
   0.61207061  0.34448206  0.84957896
   0.88551053  0.34574768  0.62824960
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975542    0.480861   -0.012166
    -0.000000    9.867444    0.231464
    -0.000000    0.000000   13.965277
   Si   O    H 
    32    64    10
Direct configuration=   866
   0.16587064  0.18917117 -0.02995299
   0.38228004  0.09996911  0.37795551
   0.12412268  0.40075991  0.11990968
   0.36430502  0.36575869  0.24849397
   0.11150138  0.17853646  0.48600102
   0.41635130  0.14521941  0.84337560
   0.09348398  0.41499619  0.62628683
   0.35778659  0.39610025  0.74400914
   0.10493039  0.66807828  0.00321108
   0.38494118  0.60146996  0.36838768
   0.06961738  0.90942756  0.14296879
   0.32877449  0.85428190  0.24776434
   0.14785992  0.67271307  0.49760654
   0.35941195  0.62544092  0.87188605
   0.05866416  0.93049826  0.61348631
   0.34208673  0.97563245  0.69190652
   0.63273877  0.16297374  0.99764876
   0.86075588  0.13871072  0.37114647
   0.59282981  0.42648639  0.11090628
   0.85671327  0.29668792  0.17871930
   0.62782459  0.17632865  0.50972996
   0.88852577  0.10567088  0.87751188
   0.56929149  0.44130941  0.62028963
   0.74301373  0.35452726  0.80216953
   0.58330526  0.68279428 -0.00028811
   0.90679305  0.61130878  0.36768347
   0.56052414  0.93026530  0.13339736
   0.81461459  0.86550713  0.26263967
   0.64856590  0.65228430  0.46229385
   0.84142162  0.61751282  0.88541053
   0.61737333  0.91111274  0.64083288
   0.83467566  0.85146927  0.76339621
   0.06110838  0.07108844  0.10626009
   0.37195869  0.20279021  0.28589256
   0.11081747  0.33524292  0.01761492
   0.32071652  0.45643335  0.34302525
   0.51693204  0.38410397  0.20784548
   0.27685863  0.37699623  0.15848157
   0.24516629  0.10305637  0.44616377
   0.01856286  0.18089218  0.38938137
   0.03985655  0.08955534  0.56660473
   0.45464408  0.24517263  0.75457096
   0.13514009  0.32657512  0.53069813
   0.38365627  0.46554150  0.84060105
   0.43435180  0.47781415  0.66805932
   0.20165010  0.39480664  0.71460216
   0.29097511  0.21601313 -0.10865478
   0.03953905  0.14094177  0.90279082
   0.10441098  0.56457013  0.10104993
   0.36130648  0.69947910  0.27176898
   0.11088046  0.81431784  0.04889656
   0.38857043  0.93884969  0.33881463
   0.40474980  0.89844650  0.15686617
   0.16291705  0.88851717  0.23005377
   0.31171036  0.66307706  0.46553966
   0.05703219  0.64130448  0.40725296
   0.11153303  0.57293975  0.59575145
   0.30269303  0.69350054  0.76686395
   0.09420804  0.82585562  0.52138965
   0.38403282  0.99405639  0.80662685
   0.45661474  0.87545539  0.63722064
   0.18939364  0.92185542  0.68417682
   0.24213967  0.66053734 -0.05653206
  -0.02687414  0.64287676  0.93937946
   0.57689226  0.08930159  0.09541452
   0.82381954  0.22730793  0.27779191
   0.59812610  0.32205872  0.01870546
   0.90297907  0.45700771  0.34208779
   0.00691009  0.33944727  0.18586544
   0.74917771  0.42763664  0.14349956
   0.76924106  0.19717089  0.45756486
   0.51948321  0.12377841  0.43522811
   0.66570074  0.06417082  0.59970240
   0.82835854  0.20611207  0.79353118
   0.55115102  0.31304659  0.55317496
   0.81948538  0.46393439  0.86119145
   0.94817836  0.39213321  0.66740710
   0.69067142  0.41084200  0.70069883
   0.78449616  0.11526456  0.96429870
   0.54628074  0.10964315  0.91568434
   0.52644834  0.57442177  0.07163054
   0.82989442  0.70567696  0.29019792
   0.59190946  0.83132411  0.04549419
   0.85369892  0.98938098  0.33734631
   0.92527839  0.87553421  0.17458460
   0.66150263  0.89120780  0.21948977
   0.80292913  0.63293332  0.45527161
   0.54507579  0.57924793  0.38019347
   0.60854481  0.57529012  0.56736101
   0.85399881  0.69883759  0.78789634
   0.61880757  0.81920779  0.43656713
   0.89429962  0.95305410  0.84360096
   0.93797448  0.86890544  0.67423004
   0.67589283  0.90430448  0.75051187
   0.73633839  0.64788615  0.96995176
   0.50825063  0.66627337  0.89346460
   0.70372675  0.79641992  0.59754978
   0.55885628  0.86860051  0.38769477
   0.85432202  0.18640637  0.10464457
   0.97602924  0.38975323  0.33041395
   0.34660127  0.11087537  0.63814245
   0.21942056  0.75471870  0.77079384
   0.01974365  1.13095665  0.15539210
   0.23379988  1.09586885  0.03855334
   0.60949319  0.33707607  0.84698194
   0.89174714  0.35110316  0.61943701
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974451    0.486312   -0.012081
    -0.000000    9.867147    0.233472
    -0.000000    0.000000   13.965891
   Si   O    H 
    32    64    10
Direct configuration=   867
   0.16509431  0.18982030 -0.02966552
   0.38199418  0.10091396  0.37838530
   0.12401660  0.40001872  0.12028334
   0.36450538  0.36513752  0.25011227
   0.11152107  0.17820858  0.48567231
   0.41670132  0.14531207  0.84330010
   0.09363767  0.41422390  0.62581392
   0.35887321  0.39703327  0.74417537
   0.10600117  0.66782715  0.00292148
   0.38594146  0.60236984  0.36752659
   0.06921749  0.90963763  0.14391914
   0.32896273  0.85409529  0.24876088
   0.14822206  0.67196990  0.49823018
   0.35846494  0.62553645  0.87219524
   0.05878762  0.93164342  0.61335224
   0.34101510  0.97454968  0.69145845
   0.63192568  0.16390084  0.99880816
   0.86097491  0.13904043  0.37191543
   0.59128970  0.42645552  0.11124051
   0.85547631  0.29693280  0.17808344
   0.62725051  0.17527212  0.50982801
   0.88868769  0.10615907  0.87774367
   0.57045839  0.44221428  0.62068546
   0.74307276  0.35214635  0.80314818
   0.58447024  0.68223439  0.00055188
   0.90786684  0.61071903  0.36712455
   0.56059591  0.93030634  0.13342047
   0.81347887  0.86611907  0.26300864
   0.64759042  0.65218452  0.46171103
   0.84029279  0.61657915  0.88603816
   0.61643249  0.91063397  0.64040748
   0.83507359  0.85143213  0.76417388
   0.06141276  0.07177287  0.10619893
   0.37267949  0.20252928  0.28716173
   0.11052592  0.33404418  0.01807686
   0.32138176  0.45746814  0.34364934
   0.51674755  0.38354934  0.20773966
   0.27477557  0.37804178  0.15814039
   0.24436786  0.10369624  0.44680308
   0.01866721  0.17944337  0.38963676
   0.04098867  0.09045604  0.56695992
   0.45408724  0.24477067  0.75403991
   0.13311276  0.32685353  0.52998749
   0.38513659  0.46530973  0.84252377
   0.43424078  0.47870670  0.66776406
   0.20069836  0.39603127  0.71282507
   0.29164788  0.21719643 -0.10807375
   0.04064617  0.14068510  0.90241584
   0.10582121  0.56357408  0.10141730
   0.36214671  0.69887543  0.27167992
   0.11090478  0.81594402  0.04730969
   0.38916097  0.94071610  0.33871834
   0.40369186  0.89949489  0.15658041
   0.16398412  0.89132574  0.22930050
   0.31238896  0.66291870  0.46508222
   0.05665164  0.64376335  0.40810592
   0.11111972  0.57245474  0.59562200
   0.30317763  0.69465378  0.76763860
   0.09322412  0.82676689  0.52132105
   0.38439309  0.99375791  0.80757775
   0.45688985  0.87710920  0.63865601
   0.19043452  0.92303352  0.68520308
   0.24218881  0.65982068 -0.05762966
  -0.02657816  0.64273351  0.93902794
   0.57903083  0.09024727  0.09646311
   0.82423343  0.22703382  0.27749972
   0.59704916  0.32089123  0.01830502
   0.90253086  0.45532450  0.34241510
   0.00803279  0.33908575  0.18676462
   0.74863278  0.42755968  0.14313426
   0.76931304  0.19706418  0.45656339
   0.52095451  0.12451690  0.43528921
   0.66576897  0.06343484  0.59924457
   0.82956843  0.20583969  0.79383912
   0.55197000  0.31187560  0.55305184
   0.81942327  0.46231276  0.86170906
   0.94776526  0.39184861  0.66766068
   0.69031105  0.41074081  0.70028838
   0.78282923  0.11494192  0.96564221
   0.54495318  0.10921665  0.91493957
   0.52614938  0.57530731  0.07119018
   0.82958404  0.70715273  0.29070719
   0.59238847  0.82973900  0.04504322
   0.85511894  0.98883680  0.33776818
   0.92526475  0.87508753  0.17427065
   0.66029563  0.89045958  0.22071921
   0.80431269  0.63213113  0.45652248
   0.54503586  0.57758799  0.38060430
   0.60988164  0.57717359  0.56666971
   0.85295354  0.69682363  0.78807317
   0.61861589  0.82009585  0.43679006
   0.89371010  0.95295797  0.84340788
   0.93764699  0.87014872  0.67320218
   0.67625367  0.90235107  0.75039547
   0.73619672  0.64792753  0.96754566
   0.51116233  0.66941401  0.89356351
   0.70107941  0.80611898  0.59706692
   0.56424864  0.87233051  0.38861215
   0.85569718  0.18948768  0.11244273
   0.97815352  0.39312187  0.32973695
   0.34283090  0.11545689  0.63974608
   0.22567229  0.75937727  0.77349798
   0.02469710  1.13157325  0.15635543
   0.23702694  1.09565247  0.04150351
   0.60974166  0.33252942  0.84609307
   0.89735591  0.35742031  0.61378591
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.973319    0.492171   -0.011848
    -0.000000    9.866808    0.235213
    -0.000000    0.000000   13.966542
   Si   O    H 
    32    64    10
Direct configuration=   868
   0.16482935  0.18997311 -0.02969190
   0.38168977  0.10154082  0.37890114
   0.12415569  0.39962169  0.12032230
   0.36497231  0.36501000  0.25138621
   0.11104762  0.17780064  0.48494498
   0.41714393  0.14556608  0.84323248
   0.09435858  0.41303509  0.62551239
   0.35995445  0.39748774  0.74419405
   0.10702319  0.66730479  0.00303266
   0.38680048  0.60341094  0.36708606
   0.06924929  0.91005012  0.14374760
   0.32849643  0.85435796  0.25002009
   0.14900489  0.67152120  0.49884064
   0.35831943  0.62556863  0.87223519
   0.05885552  0.93224985  0.61275261
   0.34020700  0.97297015  0.69109667
   0.63156791  0.16425719  0.99998652
   0.86114207  0.14000727  0.37281394
   0.59013399  0.42610209  0.11139932
   0.85373248  0.29791732  0.17729317
   0.62660773  0.17517185  0.50979459
   0.88895092  0.10658419  0.87870958
   0.57150536  0.44288149  0.62111947
   0.74320714  0.34991234  0.80414549
   0.58628423  0.68228900  0.00083449
   0.90890444  0.60990025  0.36726653
   0.56096280  0.92991815  0.13362352
   0.81186602  0.86653991  0.26350459
   0.64653679  0.65160705  0.46117318
   0.83898794  0.61531232  0.88699502
   0.61521354  0.91035415  0.63988730
   0.83616837  0.85252507  0.76471819
   0.06155537  0.07252612  0.10627124
   0.37322378  0.20227714  0.28803720
   0.10963680  0.33198071  0.01807525
   0.32266231  0.45821021  0.34399755
   0.51642803  0.38258030  0.20786920
   0.27314040  0.37826521  0.15835425
   0.24445311  0.10398936  0.44734459
   0.01803042  0.17823689  0.38943305
   0.04161485  0.09080653  0.56792896
   0.45316889  0.24537503  0.75310744
   0.13252156  0.32769573  0.52924744
   0.38648894  0.46572915  0.84461605
   0.43369745  0.48065543  0.66697620
   0.19985463  0.39665460  0.71129144
   0.29117958  0.21902812 -0.10708496
   0.04177867  0.13996567  0.90244867
   0.10679005  0.56303233  0.10176647
   0.36276600  0.69757478  0.27210726
   0.11078071  0.81824272  0.04593355
   0.38997822  0.94178418  0.33859740
   0.40318422  0.89985260  0.15625101
   0.16612181  0.89359668  0.22895909
   0.31200131  0.66245968  0.46493097
   0.05686156  0.64604712  0.40940775
   0.11070807  0.57199124  0.59531918
   0.30341915  0.69467180  0.76821478
   0.09184482  0.82810236  0.52149179
   0.38559749  0.99294323  0.80805516
   0.45708148  0.87899356  0.63962934
   0.19127184  0.92439631  0.68615221
   0.24178139  0.65932688 -0.05836929
  -0.02498909  0.64326346  0.93852763
   0.58095645  0.09062880  0.09774589
   0.82507987  0.22704609  0.27737312
   0.59566572  0.32126341  0.01818966
   0.90216290  0.45303458  0.34327191
   0.00977076  0.33845889  0.18770832
   0.74856183  0.42781775  0.14275717
   0.76917484  0.19694543  0.45589343
   0.52154279  0.12458577  0.43474398
   0.66506398  0.06242648  0.59877202
   0.82988587  0.20652126  0.79365781
   0.55306157  0.31063896  0.55265565
   0.81921146  0.46069099  0.86216124
   0.94718326  0.39087841  0.66766430
   0.68957650  0.41015680  0.69983353
   0.78237673  0.11406287  0.96692737
   0.54271676  0.10869154  0.91449859
   0.52592473  0.57581631  0.07047539
   0.82881954  0.70835771  0.29108216
   0.59323997  0.82837664  0.04426892
   0.85584523  0.98756792  0.33783263
   0.92323043  0.87465231  0.17405792
   0.65962382  0.89026329  0.22212129
   0.80629410  0.63059339  0.45837109
   0.54555039  0.57598437  0.38104321
   0.61097574  0.57895738  0.56600690
   0.85231545  0.69464702  0.78825824
   0.61788711  0.82122305  0.43751225
   0.89291343  0.95225465  0.84338416
   0.93687454  0.87187745  0.67228935
   0.67595530  0.90046035  0.74947588
   0.73503711  0.64776094  0.96501444
   0.51396774  0.67253105  0.89411196
   0.70041676  0.81756950  0.59655351
   0.56422679  0.87302297  0.39067302
   0.85907304  0.19320650  0.11586691
   0.98107152  0.39823006  0.32905413
   0.34008040  0.11720358  0.64119437
   0.23238552  0.76148671  0.77556435
   0.02826723  1.12845181  0.15566321
   0.23967525  1.09794046  0.03919216
   0.61129092  0.32754147  0.84556925
   0.89878511  0.36307393  0.61203540
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972163    0.498122   -0.012378
    -0.000000    9.866726    0.236968
    -0.000000    0.000000   13.966805
   Si   O    H 
    32    64    10
Direct configuration=   869
   0.16439593  0.18995521 -0.02985776
   0.38114781  0.10262630  0.37932186
   0.12325888  0.39975240  0.12027208
   0.36574527  0.36420247  0.25255267
   0.11060705  0.17732801  0.48434610
   0.41769711  0.14502630  0.84286828
   0.09477361  0.41229038  0.62561785
   0.36064076  0.39747088  0.74410584
   0.10748910  0.66663211  0.00366048
   0.38750821  0.60394774  0.36699601
   0.06975040  0.91085865  0.14298758
   0.32822534  0.85491322  0.25113264
   0.14982675  0.67126362  0.49963256
   0.35909219  0.62507417  0.87199667
   0.05880883  0.93249311  0.61188176
   0.33952750  0.97122297  0.69084886
   0.63123897  0.16464358  1.00109173
   0.86132142  0.14115835  0.37349779
   0.58920891  0.42590759  0.11169638
   0.85231085  0.29975783  0.17717442
   0.62550012  0.17498996  0.51030485
   0.88976974  0.10682417  0.88022635
   0.57269949  0.44329300  0.62195138
   0.74240291  0.34785315  0.80469314
   0.58771750  0.68173599  0.00071717
   0.90964215  0.60964203  0.36744530
   0.56121359  0.92919136  0.13403256
   0.80992590  0.86765096  0.26408901
   0.64494430  0.65158554  0.46084531
   0.83839503  0.61369305  0.88802312
   0.61372478  0.91005542  0.63958873
   0.83705109  0.85379877  0.76465321
   0.06119748  0.07216099  0.10652428
   0.37335897  0.20231832  0.28861199
   0.10926426  0.33075746  0.01748780
   0.32462353  0.45868680  0.34392159
   0.51547063  0.38125955  0.20811104
   0.27125971  0.37888405  0.15854742
   0.24436330  0.10374858  0.44745866
   0.01701938  0.17745348  0.38927549
   0.04188640  0.09044048  0.56916209
   0.45192185  0.24528591  0.75336152
   0.13142869  0.32758734  0.52851992
   0.38746178  0.46598947  0.84621298
   0.43251410  0.48366820  0.66651135
   0.19799022  0.39639633  0.71020932
   0.29039997  0.22164376 -0.10576691
   0.04320628  0.13946051  0.90281152
   0.10783177  0.56252566  0.10173313
   0.36371522  0.69589073  0.27230452
   0.11122615  0.82114091  0.04491699
   0.38926282  0.94274075  0.33815545
   0.40246407  0.90037528  0.15543717
   0.16941791  0.89462056  0.22922008
   0.31142179  0.66230167  0.46503837
   0.05738233  0.64897907  0.41012761
   0.11097372  0.57265106  0.59480248
   0.30464913  0.69405764  0.76870070
   0.08961290  0.82940095  0.52150186
   0.38719491  0.99132837  0.80825899
   0.45684544  0.88059203  0.64010770
   0.19217653  0.92548422  0.68683193
   0.24152903  0.65845707 -0.05831403
  -0.02374764  0.64352617  0.93755391
   0.58295812  0.09031382  0.09936988
   0.82561989  0.22811418  0.27682013
   0.59350371  0.32231512  0.01813421
   0.90207075  0.45107144  0.34406849
   0.01141037  0.33766321  0.18837137
   0.74874458  0.42765539  0.14232349
   0.76888096  0.19660067  0.45549605
   0.52221656  0.12522803  0.43425485
   0.66423242  0.06062224  0.59823903
   0.82972107  0.20713030  0.79367138
   0.55446298  0.30989712  0.55192218
   0.81818535  0.45866396  0.86288163
   0.94649077  0.38927412  0.66800126
   0.68972793  0.40936542  0.69925046
   0.78220486  0.11351230  0.96790744
   0.54033919  0.10862644  0.91419675
   0.52605448  0.57556709  0.07017547
   0.82764424  0.70957309  0.29132239
   0.59352379  0.82773222  0.04354189
   0.85687109  0.98639026  0.33800756
   0.92057505  0.87477862  0.17380855
   0.65981867  0.89069056  0.22326020
   0.80855127  0.62912386  0.45959413
   0.54589662  0.57523564  0.38122352
   0.61171613  0.58148554  0.56478146
   0.85206740  0.69297259  0.78742377
   0.61813429  0.82222972  0.43820968
   0.89238108  0.95123165  0.84344264
   0.93559214  0.87287244  0.67120005
   0.67625150  0.89854989  0.74863797
   0.73357921  0.64723644  0.96271826
   0.51583154  0.67473643  0.89536018
   0.70427600  0.82056848  0.59333461
   0.56161458  0.87199129  0.38956318
   0.86087808  0.18946507  0.11185385
   0.98987821  0.40351739  0.32757208
   0.33767620  0.11722737  0.64221491
   0.23458983  0.76559742  0.77925111
   0.02863954  1.12871619  0.15781824
   0.24333958  1.09905891  0.03365974
   0.61410691  0.32394017  0.84722031
   0.89316423  0.36574376  0.61031063
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.971170    0.503894   -0.013144
    -0.000000    9.866424    0.239032
    -0.000000    0.000000   13.966869
   Si   O    H 
    32    64    10
Direct configuration=   870
   0.16345887  0.19033182 -0.03007903
   0.38073686  0.10390547  0.38019025
   0.12206241  0.40037923  0.12022929
   0.36624083  0.36320159  0.25367235
   0.11014890  0.17691133  0.48379462
   0.41840499  0.14371277  0.84287322
   0.09520800  0.41196131  0.62537707
   0.36126440  0.39746446  0.74440390
   0.10777335  0.66666445  0.00485330
   0.38803544  0.60405907  0.36711671
   0.07032444  0.91118989  0.14201151
   0.32745299  0.85610571  0.25224378
   0.15064665  0.67126232  0.50045386
   0.36028517  0.62414939  0.87179925
   0.05897672  0.93307264  0.61109075
   0.33862365  0.96997159  0.69066528
   0.63117944  0.16448502  1.00191073
   0.86166622  0.14253403  0.37420308
   0.58820949  0.42578836  0.11229246
   0.85045417  0.30161090  0.17707844
   0.62438271  0.17413154  0.51063367
   0.89092295  0.10696216  0.88178284
   0.57439004  0.44327756  0.62257615
   0.74123974  0.34584047  0.80540888
   0.58919893  0.68166668 -0.00001055
   0.91059609  0.60952451  0.36777704
   0.56172787  0.92804951  0.13374239
   0.80845219  0.86852401  0.26427037
   0.64291921  0.65149244  0.46078707
   0.83822876  0.61246871  0.88891857
   0.61266674  0.91003657  0.63933988
   0.83827413  0.85485442  0.76441437
   0.06119484  0.07145944  0.10722784
   0.37315340  0.20267748  0.28971439
   0.10967073  0.32943227  0.01731880
   0.32645125  0.45845680  0.34384143
   0.51436811  0.38051020  0.20821324
   0.27026370  0.37960108  0.15932724
   0.24476938  0.10286590  0.44769755
   0.01610211  0.17641994  0.38923205
   0.04223640  0.09038240  0.57008068
   0.45049112  0.24624550  0.75300238
   0.13061587  0.32705765  0.52767243
   0.38782002  0.46631651  0.84732269
   0.43078102  0.48622577  0.66622765
   0.19744719  0.39545849  0.70980242
   0.28896404  0.22418771 -0.10427009
   0.04408486  0.13884795  0.90308159
   0.10836291  0.56217704  0.10183792
   0.36361104  0.69440854  0.27242354
   0.11131224  0.82369976  0.04436240
   0.38840960  0.94387136  0.33722917
   0.40258027  0.90062318  0.15448364
   0.17247455  0.89576724  0.22977709
   0.31035905  0.66266657  0.46556010
   0.05701833  0.65153770  0.41044954
   0.11011511  0.57408613  0.59370110
   0.30509805  0.69399402  0.76946140
   0.08824781  0.83113381  0.52086281
   0.38907872  0.98982212  0.80781388
   0.45593596  0.88164558  0.64016258
   0.19260238  0.92689345  0.68705969
   0.24049904  0.65781400 -0.05850544
  -0.02227744  0.64361533  0.93725452
   0.58468643  0.08923945  0.10099028
   0.82597299  0.22886629  0.27642653
   0.59116449  0.32342534  0.01843203
   0.90257929  0.44916084  0.34502590
   0.01370562  0.33714296  0.18954204
   0.74927619  0.42707258  0.14195726
   0.76784897  0.19534069  0.45505309
   0.52238117  0.12520050  0.43331042
   0.66370979  0.05970767  0.59725187
   0.82984051  0.20711145  0.79310982
   0.55586842  0.30882493  0.55129417
   0.81812496  0.45645126  0.86329088
   0.94540499  0.38778872  0.66815669
   0.69009260  0.40784713  0.69870325
   0.78297291  0.11293244  0.96907379
   0.53800949  0.10881155  0.91447731
   0.52611342  0.57545057  0.07057786
   0.82657805  0.71059718  0.29126839
   0.59351994  0.82777715  0.04325503
   0.85723226  0.98455456  0.33777427
   0.91829827  0.87500667  0.17376598
   0.65915324  0.89078298  0.22427547
   0.81010030  0.62780988  0.46034874
   0.54640073  0.57513533  0.38196184
   0.61225264  0.58403895  0.56395832
   0.85173724  0.69153305  0.78629478
   0.61848486  0.82283997  0.43867384
   0.89213286  0.94995167  0.84360169
   0.93451906  0.87411347  0.67017458
   0.67613260  0.89688756  0.74808565
   0.73198492  0.64720388  0.96079731
   0.51711417  0.67764480  0.89659776
   0.70762806  0.82008400  0.58780405
   0.55943056  0.86408837  0.38770608
   0.86105755  0.18488377  0.10544194
   0.99128786  0.41209174  0.32664156
   0.33434073  0.11342804  0.64466991
   0.23841315  0.77007316  0.78078884
   0.02711226  1.13069885  0.16102745
   0.24671161  1.10143467  0.02717661
   0.61790641  0.32147019  0.85226301
   0.88511835  0.36873035  0.61152317
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.970082    0.509134   -0.013054
    -0.000000    9.866140    0.240268
    -0.000000    0.000000   13.967055
   Si   O    H 
    32    64    10
Direct configuration=   871
   0.16289800  0.19081290 -0.03081855
   0.38063811  0.10449002  0.38064588
   0.12095551  0.40016757  0.12020076
   0.36658039  0.36245696  0.25479667
   0.10954508  0.17614620  0.48327933
   0.41872914  0.14266709  0.84313692
   0.09583961  0.41138805  0.62477275
   0.36200927  0.39750457  0.74480513
   0.10824340  0.66652299  0.00649431
   0.38902474  0.60422180  0.36803546
   0.07082411  0.91102764  0.14063788
   0.32606530  0.85719131  0.25343682
   0.15109581  0.67157539  0.50089902
   0.36208712  0.62394646  0.87155706
   0.05938495  0.93308597  0.61065242
   0.33855614  0.96880086  0.69069541
   0.63038983  0.16511424  1.00250137
   0.86151747  0.14346907  0.37429766
   0.58703517  0.42584433  0.11220205
   0.84956542  0.30391044  0.17662208
   0.62351006  0.17259334  0.51076170
   0.89149883  0.10742053  0.88329595
   0.57603892  0.44378593  0.62287908
   0.74047798  0.34449761  0.80608511
   0.59039822  0.68152178 -0.00066690
   0.91147854  0.60895535  0.36827787
   0.56193123  0.92714909  0.13351299
   0.80743473  0.86994677  0.26424102
   0.64083781  0.65179677  0.46102167
   0.83789566  0.61116294  0.88949851
   0.61218851  0.90990539  0.63905359
   0.83918973  0.85565904  0.76404723
   0.06228822  0.07078614  0.10752021
   0.37235144  0.20309894  0.29093779
   0.10964346  0.32901633  0.01762267
   0.32833746  0.45766249  0.34359088
   0.51370515  0.38067629  0.20828252
   0.26846011  0.37997857  0.16011890
   0.24564174  0.10247560  0.44829165
   0.01540778  0.17637741  0.38952214
   0.04170105  0.09004758  0.57091327
   0.44891197  0.24695535  0.75270348
   0.13018920  0.32646595  0.52676729
   0.38807215  0.46597886  0.84848740
   0.43022966  0.48892196  0.66530646
   0.19734496  0.39435564  0.71020011
   0.28756096  0.22655183 -0.10285102
   0.04563648  0.13826412  0.90338755
   0.10769092  0.56234083  0.10189668
   0.36276164  0.69306951  0.27242592
   0.11182629  0.82502673  0.04437335
   0.38730232  0.94478938  0.33665617
   0.40261832  0.90162183  0.15366470
   0.17461368  0.89636412  0.23001296
   0.30856442  0.66286427  0.46538562
   0.05690994  0.65407442  0.41102536
   0.10911631  0.57538219  0.59240677
   0.30558589  0.69372348  0.76971199
   0.08617877  0.83256622  0.52064577
   0.39076313  0.98799749  0.80762328
   0.45503352  0.88175209  0.64024020
   0.19160108  0.92827226  0.68679632
   0.23987218  0.65739329 -0.05864819
  -0.02129505  0.64439649  0.93787049
   0.58606945  0.08748683  0.10293968
   0.82537942  0.22930532  0.27623922
   0.58988905  0.32417645  0.01862376
   0.90398861  0.44759997  0.34578946
   0.01537230  0.33634790  0.19053658
   0.75025729  0.42567393  0.14145514
   0.76719828  0.19486739  0.45517987
   0.52222392  0.12438031  0.43267793
   0.66295678  0.05861093  0.59612250
   0.82973340  0.20679522  0.79246198
   0.55729391  0.30849542  0.55096077
   0.81844457  0.45457090  0.86422837
   0.94394096  0.38698659  0.66849919
   0.69007353  0.40655177  0.69863868
   0.78380678  0.11250322  0.97011474
   0.53609420  0.10872237  0.91493675
   0.52666742  0.57567424  0.07129599
   0.82571353  0.71093865  0.29086943
   0.59302738  0.82842907  0.04347184
   0.85795833  0.98240211  0.33724647
   0.91591123  0.87500254  0.17307872
   0.65874707  0.89063099  0.22515482
   0.81076809  0.62668169  0.46113504
   0.54722150  0.57526345  0.38246220
   0.61180913  0.58576329  0.56264330
   0.85095279  0.69088865  0.78471705
   0.61873129  0.82319420  0.43917766
   0.89184076  0.94831045  0.84390475
   0.93311447  0.87516511  0.66895664
   0.67576582  0.89588112  0.74740891
   0.73050187  0.64656039  0.95914307
   0.51771101  0.67990272  0.89839122
   0.70618927  0.81881387  0.58341586
   0.55846062  0.85209054  0.38747482
   0.85505627  0.18722902  0.10512152
   0.99352488  0.42070563  0.32520219
   0.32929641  0.10938221  0.64543577
   0.24144418  0.77130606  0.78189297
   0.02761441  1.12897277  0.16039274
   0.24974777  1.10228556  0.02634312
   0.62163673  0.32126491  0.86006166
   0.87979623  0.36679995  0.61716366
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968627    0.513919   -0.012948
    -0.000000    9.866733    0.241398
    -0.000000    0.000000   13.966818
   Si   O    H 
    32    64    10
Direct configuration=   872
   0.16262298  0.19154834 -0.03122511
   0.38045097  0.10449434  0.38101253
   0.12001172  0.40012303  0.11920500
   0.36639186  0.36101010  0.25607113
   0.10923750  0.17541865  0.48346214
   0.41871102  0.14203091  0.84326993
   0.09619257  0.41081919  0.62405695
   0.36278753  0.39739564  0.74484785
   0.10811200  0.66755329  0.00815203
   0.38981205  0.60364873  0.36924134
   0.07101299  0.91090850  0.13917944
   0.32519853  0.85827196  0.25398101
   0.15081596  0.67247884  0.50205319
   0.36340900  0.62366534  0.87124365
   0.05991373  0.93263587  0.61014311
   0.33899088  0.96801187  0.69076587
   0.62978359  0.16506672  1.00300215
   0.86165827  0.14428846  0.37435052
   0.58560442  0.42659854  0.11230852
   0.84880375  0.30530316  0.17603857
   0.62263229  0.17095467  0.51095596
   0.89152701  0.10736396  0.88415066
   0.57788679  0.44437444  0.62283420
   0.74013996  0.34379988  0.80659737
   0.59106348  0.68111382 -0.00158562
   0.91252957  0.60886509  0.36895263
   0.56241096  0.92642047  0.13299392
   0.80713751  0.87114204  0.26396217
   0.63988275  0.65265823  0.46096693
   0.83826181  0.61003318  0.88968960
   0.61174444  0.90996906  0.63933081
   0.83948324  0.85672155  0.76335929
   0.06294234  0.07031467  0.10803857
   0.37134903  0.20385138  0.29190288
   0.10971004  0.32845667  0.01841836
   0.32917550  0.45768884  0.34361919
   0.51259680  0.38105599  0.20774325
   0.26713513  0.37985339  0.16083540
   0.24690856  0.10229416  0.44884485
   0.01500949  0.17625944  0.38967159
   0.04123254  0.08950509  0.57108473
   0.44744842  0.24877089  0.75218943
   0.12998798  0.32603019  0.52604487
   0.38790882  0.46602758  0.84879168
   0.42969091  0.49160343  0.66460960
   0.19816379  0.39360905  0.71125569
   0.28647649  0.22932914 -0.10208898
   0.04607846  0.13709433  0.90405110
   0.10734918  0.56245515  0.10219329
   0.36176477  0.69232629  0.27217054
   0.11182225  0.82562767  0.04446795
   0.38624226  0.94688172  0.33621542
   0.40252956  0.90107288  0.15294305
   0.17638035  0.89649018  0.23013975
   0.30722086  0.66315621  0.46512547
   0.05715649  0.65561993  0.41107814
   0.10786359  0.57670637  0.59069921
   0.30669946  0.69397311  0.76915269
   0.08513857  0.83361367  0.52007947
   0.39202113  0.98637223  0.80755072
   0.45450734  0.88110023  0.64005269
   0.19014822  0.92925399  0.68641061
   0.23933775  0.65680641 -0.05874760
  -0.01997256  0.64495975  0.93866081
   0.58668434  0.08606502  0.10485281
   0.82422273  0.23024548  0.27600193
   0.58826919  0.32528273  0.01846874
   0.90524189  0.44659190  0.34694571
   0.01669668  0.33537827  0.19191707
   0.75062622  0.42413157  0.14118397
   0.76634086  0.19384232  0.45566576
   0.52273035  0.12339684  0.43149630
   0.66219693  0.05765171  0.59523310
   0.83064947  0.20543083  0.79189885
   0.55767024  0.30856077  0.55106379
   0.81837421  0.45300162  0.86520918
   0.94316453  0.38641271  0.66866096
   0.69045591  0.40543226  0.69889656
   0.78489529  0.11219690  0.97156554
   0.53576355  0.10881754  0.91589651
   0.52804904  0.57511423  0.07242813
   0.82537553  0.71064649  0.29100166
   0.59214881  0.82911399  0.04336199
   0.85828880  0.98035325  0.33693185
   0.91334178  0.87566647  0.17245109
   0.65798053  0.89105902  0.22562589
   0.81120155  0.62599001  0.46247753
   0.54866271  0.57539223  0.38257235
   0.61223345  0.58745395  0.56159017
   0.84991098  0.69161795  0.78415451
   0.61962445  0.82296317  0.44015930
   0.89207221  0.94727590  0.84411043
   0.93148276  0.87553716  0.66809934
   0.67471511  0.89496727  0.74697159
   0.73026394  0.64644916  0.95853905
   0.51657491  0.68238338  0.89976639
   0.70181514  0.81476913  0.58158501
   0.55356601  0.84003228  0.38803501
   0.84465222  0.19649958  0.10897823
   0.99783639  0.42555639  0.32142547
   0.32543059  0.10396395  0.64584272
   0.24670991  0.77029057  0.78180548
   0.02832102  1.12431520  0.15611598
   0.25110009  1.09946942  0.02392632
   0.62693719  0.32111078  0.86851495
   0.87193319  0.36537815  0.62225907
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967010    0.518450   -0.012748
    -0.000000    9.867090    0.242460
    -0.000000    0.000000   13.966365
   Si   O    H 
    32    64    10
Direct configuration=   873
   0.16271630  0.19182365 -0.03151085
   0.38010127  0.10393235  0.38132316
   0.11853766  0.40009149  0.11816773
   0.36613580  0.35901232  0.25707587
   0.10898298  0.17453256  0.48370520
   0.41808830  0.14138402  0.84339652
   0.09592582  0.41092189  0.62328868
   0.36278201  0.39747178  0.74529882
   0.10787632  0.66865460  0.00968399
   0.39018994  0.60264700  0.36992712
   0.07116848  0.91143940  0.13778271
   0.32418309  0.85907516  0.25405521
   0.15048528  0.67363520  0.50307514
   0.36453163  0.62413991  0.87071078
   0.06038943  0.93225390  0.60994066
   0.33960944  0.96741231  0.69098228
   0.62848893  0.16538513  1.00365153
   0.86151522  0.14492365  0.37368761
   0.58475608  0.42769781  0.11212084
   0.84852263  0.30602117  0.17552736
   0.62224734  0.16931338  0.51148129
   0.89151480  0.10710206  0.88461212
   0.57985919  0.44472526  0.62210378
   0.74001005  0.34349573  0.80716762
   0.59182703  0.68085289 -0.00181324
   0.91373983  0.60913589  0.36940231
   0.56299167  0.92527819  0.13210279
   0.80723067  0.87151018  0.26331333
   0.63972753  0.65330810  0.46078948
   0.83909520  0.60888421  0.88897311
   0.61149130  0.91018982  0.63958305
   0.84000178  0.85693283  0.76285933
   0.06340514  0.06985307  0.10826944
   0.37033584  0.20393453  0.29263518
   0.10878515  0.32827394  0.01947013
   0.32982389  0.45818302  0.34350301
   0.51268333  0.38084477  0.20748100
   0.26640079  0.38009865  0.16203788
   0.24810824  0.10217253  0.44937317
   0.01503687  0.17623611  0.38937080
   0.04016202  0.08913827  0.57068588
   0.44582418  0.25053485  0.75195893
   0.13012680  0.32604994  0.52530981
   0.38676160  0.46524075  0.84860531
   0.42966862  0.49364254  0.66401002
   0.19857945  0.39240712  0.71280167
   0.28540031  0.23118140 -0.10168266
   0.04686217  0.13550001  0.90501676
   0.10653901  0.56331324  0.10259133
   0.36129237  0.69187773  0.27207828
   0.11193687  0.82564809  0.04481577
   0.38571725  0.94869337  0.33569063
   0.40272501  0.90079839  0.15232642
   0.17713207  0.89599736  0.22989916
   0.30668843  0.66401535  0.46493118
   0.05791974  0.65684544  0.41022655
   0.10679106  0.57757596  0.58985678
   0.30840964  0.69318648  0.76881021
   0.08465356  0.83394503  0.52006300
   0.39263941  0.98553654  0.80716598
   0.45402674  0.88073123  0.64042319
   0.18782544  0.93020564  0.68539795
   0.23892782  0.65548825 -0.05835017
  -0.01771533  0.64499311  0.93939178
   0.58724741  0.08414108  0.10630634
   0.82280683  0.23090947  0.27581075
   0.58666801  0.32686598  0.01870260
   0.90689926  0.44562328  0.34794816
   0.01716292  0.33485502  0.19356564
   0.75144194  0.42344405  0.14066201
   0.76512688  0.19290615  0.45661615
   0.52350139  0.12275647  0.43007692
   0.66055955  0.05753397  0.59513467
   0.83089113  0.20388449  0.79184183
   0.55768099  0.30890275  0.55135824
   0.81906946  0.45126554  0.86599990
   0.94289448  0.38565015  0.66874261
   0.69035452  0.40448161  0.69945299
   0.78562421  0.11113341  0.97270881
   0.53491547  0.10939666  0.91714962
   0.52956063  0.57508353  0.07406448
   0.82595385  0.70996449  0.29139376
   0.59198363  0.83033299  0.04274192
   0.85840226  0.97863842  0.33738584
   0.91105349  0.87585964  0.17223087
   0.65625717  0.89100364  0.22631531
   0.81145735  0.62481644  0.46358411
   0.54988900  0.57560409  0.38220208
   0.61219024  0.58832066  0.56091215
   0.84885531  0.69188132  0.78382488
   0.62048746  0.82293971  0.44108927
   0.89257517  0.94716732  0.84458683
   0.93099943  0.87651468  0.66767241
   0.67354839  0.89551208  0.74665511
   0.73035739  0.64579390  0.95830818
   0.51467254  0.68442831  0.90069424
   0.69270357  0.81421251  0.58029948
   0.54999284  0.83209860  0.38682777
   0.83668079  0.20345585  0.10925851
   0.99565183  0.42920852  0.31902089
   0.32453237  0.10183915  0.64499571
   0.24755812  0.77508330  0.78291901
   0.02535052  1.12717057  0.15651500
   0.25227298  1.09075083  0.02440960
   0.62864498  0.32081382  0.87735014
   0.86566129  0.36340219  0.62863333
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965076    0.523143   -0.012417
    -0.000000    9.867462    0.243972
    -0.000000    0.000000   13.965826
   Si   O    H 
    32    64    10
Direct configuration=   874
   0.16348186  0.19145246 -0.03180571
   0.37992417  0.10302359  0.38178326
   0.11715853  0.39959252  0.11699705
   0.36566525  0.35666590  0.25762683
   0.10896004  0.17355637  0.48380893
   0.41718901  0.14050862  0.84337905
   0.09572954  0.41194129  0.62250324
   0.36246382  0.39756197  0.74568217
   0.10760840  0.66944372  0.01093917
   0.39026986  0.60208982  0.37086247
   0.07082495  0.91200576  0.13677076
   0.32419041  0.85997653  0.25435351
   0.14901143  0.67536740  0.50377602
   0.36586314  0.62453439  0.87012014
   0.06057986  0.93193586  0.60951278
   0.34038903  0.96691566  0.69134707
   0.62700239  0.16600628  1.00428086
   0.86109218  0.14529909  0.37275821
   0.58420212  0.42779046  0.11254928
   0.84860376  0.30622183  0.17558601
   0.62198742  0.16767577  0.51193001
   0.89181398  0.10642330  0.88480970
   0.58092423  0.44506822  0.62120612
   0.73981934  0.34342610  0.80780192
   0.59202102  0.68149705 -0.00195186
   0.91467548  0.60995288  0.37016120
   0.56289838  0.92481219  0.13137392
   0.80738878  0.87178740  0.26234664
   0.63949664  0.65405214  0.46019227
   0.84062867  0.60759801  0.88795191
   0.61134567  0.90970935  0.63958736
   0.84027359  0.85670405  0.76180051
   0.06308388  0.06965810  0.10861731
   0.36881220  0.20446865  0.29337307
   0.10728070  0.32799009  0.01998951
   0.33025183  0.45819634  0.34397256
   0.51230366  0.38127190  0.20709473
   0.26617107  0.38003051  0.16377821
   0.24895420  0.10145006  0.44990587
   0.01534526  0.17649328  0.38855021
   0.03869503  0.08872825  0.57061642
   0.44484176  0.25157932  0.75126084
   0.13031420  0.32623409  0.52493416
   0.38627793  0.46386612  0.84825631
   0.42987351  0.49546778  0.66322948
   0.19936399  0.39213762  0.71450134
   0.28468602  0.23254989 -0.10152383
   0.04633804  0.13455791  0.90624750
   0.10622628  0.56461285  0.10269323
   0.36151003  0.69186622  0.27196510
   0.11196530  0.82585154  0.04515523
   0.38546188  0.95017595  0.33607080
   0.40227453  0.90038828  0.15211707
   0.17665143  0.89557415  0.22913285
   0.30653747  0.66530473  0.46440959
   0.05835429  0.65711431  0.40857346
   0.10574619  0.57821011  0.58926358
   0.30906721  0.69380994  0.76873483
   0.08477604  0.83380966  0.52015105
   0.39213293  0.98523154  0.80651178
   0.45353147  0.87994606  0.64019196
   0.18583264  0.93032923  0.68438303
   0.23952063  0.65374109 -0.05811600
  -0.01533518  0.64521128  0.93993609
   0.58736711  0.08241907  0.10750116
   0.82090466  0.23168749  0.27588823
   0.58574716  0.32855223  0.01899334
   0.90797153  0.44587343  0.34859146
   0.01646489  0.33454877  0.19561961
   0.75108981  0.42351529  0.13983868
   0.76461951  0.19133232  0.45794400
   0.52366229  0.12216383  0.42900700
   0.65848364  0.05786186  0.59525517
   0.83145890  0.20283609  0.79224510
   0.55775933  0.31015489  0.55143749
   0.81938820  0.44941564  0.86664000
   0.94284465  0.38518067  0.66896656
   0.69055260  0.40343305  0.70070157
   0.78617015  0.11079782  0.97377789
   0.53492699  0.11014309  0.91878365
   0.53119827  0.57495816  0.07559298
   0.82672690  0.70933078  0.29175235
   0.59203487  0.83165754  0.04176513
   0.85921327  0.97751940  0.33821105
   0.90979149  0.87694553  0.17246241
   0.65478250  0.89107747  0.22700408
   0.81114430  0.62366162  0.46499647
   0.55179862  0.57510536  0.38208194
   0.61158765  0.58981407  0.56089194
   0.84765695  0.69249893  0.78381884
   0.62030365  0.82239028  0.44205219
   0.89266840  0.94752098  0.84545823
   0.93105368  0.87795360  0.66770338
   0.67243322  0.89572343  0.74657636
   0.73095768  0.64527086  0.95837001
   0.51197186  0.68651245  0.90140019
   0.68426937  0.81794080  0.58219731
   0.55261248  0.82981055  0.38650307
   0.83366406  0.20701506  0.10746997
   0.99361902  0.42728969  0.31685472
   0.32651038  0.10260200  0.64330673
   0.25066528  0.77385945  0.78418737
   0.02135816  1.13634660  0.15739704
   0.25187051  1.08288549  0.02497553
   0.62794899  0.32093085  0.87973301
   0.86141933  0.36249012  0.63524997
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963079    0.527711   -0.011894
    -0.000000    9.867596    0.245102
    -0.000000    0.000000   13.965476
   Si   O    H 
    32    64    10
Direct configuration=   875
   0.16487581  0.19027669 -0.03187864
   0.37982949  0.10216539  0.38215158
   0.11566202  0.39975339  0.11640024
   0.36527132  0.35519573  0.25782592
   0.10890006  0.17226692  0.48427055
   0.41558894  0.13939878  0.84361212
   0.09518335  0.41258382  0.62218846
   0.36214299  0.39776345  0.74588786
   0.10703310  0.67008702  0.01166899
   0.39045257  0.60130830  0.37162064
   0.07019253  0.91300342  0.13549483
   0.32443855  0.86031874  0.25419326
   0.14787491  0.67720921  0.50426839
   0.36644008  0.62505429  0.86965956
   0.06075145  0.93085596  0.60945613
   0.34091251  0.96702932  0.69162520
   0.62550504  0.16711883  1.00489750
   0.86094004  0.14607488  0.37157724
   0.58419139  0.42726567  0.11259696
   0.84937901  0.30647363  0.17568400
   0.62220694  0.16639295  0.51262622
   0.89283583  0.10568264  0.88498458
   0.58170174  0.44623885  0.62019538
   0.73914562  0.34369322  0.80783467
   0.59136598  0.68223455 -0.00170959
   0.91537385  0.61044788  0.37065457
   0.56275623  0.92476753  0.13090090
   0.80819425  0.87188480  0.26139149
   0.64037454  0.65474285  0.45970957
   0.84273155  0.60594320  0.88705323
   0.61161024  0.90907381  0.63912501
   0.84075621  0.85583393  0.76078666
   0.06220867  0.07003910  0.10876434
   0.36826800  0.20520209  0.29446552
   0.10551844  0.32851090  0.01989975
   0.33118420  0.45846139  0.34440041
   0.51132150  0.38253593  0.20660680
   0.26597724  0.37949457  0.16470811
   0.25007508  0.10091515  0.45111781
   0.01542204  0.17636036  0.38785347
   0.03671765  0.08899755  0.57070158
   0.44313711  0.25232802  0.75108975
   0.13060176  0.32671203  0.52443077
   0.38576071  0.46287231  0.84831445
   0.43038588  0.49596841  0.66263326
   0.19970430  0.39137110  0.71620896
   0.28487920  0.23334601 -0.10191857
   0.04518728  0.13353820  0.90711757
   0.10657543  0.56635582  0.10259591
   0.36165998  0.69220599  0.27206440
   0.11212041  0.82567238  0.04458903
   0.38500378  0.95138585  0.33661690
   0.40227074  0.90064915  0.15234851
   0.17454128  0.89451034  0.22858640
   0.30781954  0.66603670  0.46351314
   0.05902571  0.65689331  0.40648013
   0.10528200  0.57759905  0.58867911
   0.30973567  0.69499590  0.76803057
   0.08489695  0.83346609  0.52029524
   0.39194312  0.98505337  0.80588995
   0.45235675  0.87905823  0.63964190
   0.18421326  0.92998290  0.68367924
   0.24045146  0.65250049 -0.05749586
  -0.01324779  0.64531075  0.94107648
   0.58815116  0.08097505  0.10800492
   0.81867045  0.23234987  0.27571425
   0.58457145  0.32980661  0.02027623
   0.90863492  0.44562330  0.34912478
   0.01490071  0.33405894  0.19706257
   0.74988315  0.42556942  0.13920824
   0.76373249  0.18962606  0.45975376
   0.52343190  0.12164745  0.42769832
   0.65682079  0.05786951  0.59530124
   0.83245153  0.20188812  0.79212028
   0.55772212  0.31154157  0.55138441
   0.81992147  0.44817493  0.86670319
   0.94329390  0.38507740  0.66894809
   0.69038001  0.40238221  0.70247782
   0.78670306  0.11043652  0.97502120
   0.53535755  0.11127002  0.92044025
   0.53289270  0.57450748  0.07685045
   0.82808284  0.70824685  0.29260422
   0.59272532  0.83190452  0.04028911
   0.85904209  0.97614670  0.33884570
   0.91000183  0.87807185  0.17299729
   0.65352096  0.89087879  0.22780144
   0.81069892  0.62184392  0.46670901
   0.55358001  0.57502920  0.38211788
   0.61067282  0.59024790  0.56166552
   0.84641450  0.69280844  0.78431028
   0.61910086  0.82147811  0.44260234
   0.89363077  0.94775292  0.84678579
   0.93144772  0.87973814  0.66739498
   0.67226407  0.89570069  0.74625541
   0.73194428  0.64464514  0.95885894
   0.50790238  0.68836345  0.90203366
   0.67785281  0.81630314  0.58526327
   0.56068888  0.83192144  0.38952420
   0.83243154  0.20717722  0.10292307
   0.99268721  0.42126104  0.31212002
   0.32769941  0.10512885  0.64049192
   0.25218808  0.77061201  0.78220872
   0.02240723  1.13310840  0.15546401
   0.24662189  1.08201728  0.02552180
   0.63071465  0.32403227  0.87562037
   0.85939183  0.36167730  0.64363792
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960750    0.531974   -0.010734
    -0.000000    9.867988    0.245883
    -0.000000    0.000000   13.965064
   Si   O    H 
    32    64    10
Direct configuration=   876
   0.16648917  0.18865702 -0.03142230
   0.38029999  0.10127345  0.38314645
   0.11482127  0.40120561  0.11634125
   0.36488809  0.35409260  0.25716675
   0.10845627  0.17146776  0.48514043
   0.41347843  0.13837738  0.84385562
   0.09497340  0.41340911  0.62223133
   0.36151686  0.39800296  0.74570995
   0.10713494  0.67074275  0.01215581
   0.38996263  0.60037167  0.37200727
   0.06918033  0.91405038  0.13439076
   0.32528779  0.85929757  0.25430370
   0.14698210  0.67825517  0.50458484
   0.36719918  0.62567551  0.86904516
   0.06071682  0.93028553  0.60955976
   0.34073002  0.96758399  0.69220960
   0.62371940  0.16789866  1.00560432
   0.86074317  0.14665234  0.37040792
   0.58428399  0.42672650  0.11278943
   0.85037569  0.30668796  0.17654209
   0.62192001  0.16569587  0.51292169
   0.89363695  0.10442402  0.88438832
   0.58160984  0.44741486  0.61954289
   0.73874688  0.34398513  0.80782291
   0.59016754  0.68302453 -0.00138611
   0.91547884  0.61144794  0.37146540
   0.56304895  0.92484758  0.13062934
   0.80861905  0.87199238  0.26066659
   0.64130966  0.65519312  0.45896443
   0.84530114  0.60474101  0.88633518
   0.61197404  0.90858102  0.63898544
   0.84075392  0.85525812  0.76019043
   0.06131839  0.07153180  0.10837539
   0.36811148  0.20583229  0.29547370
   0.10257144  0.32768022  0.01941996
   0.33185034  0.45804424  0.34506716
   0.51017006  0.38280518  0.20637234
   0.26643332  0.37917937  0.16574753
   0.25119675  0.10044982  0.45230015
   0.01658848  0.17719467  0.38732062
   0.03543732  0.08883220  0.57120069
   0.44179972  0.25240914  0.75106770
   0.13076067  0.32726028  0.52409616
   0.38531958  0.46295512  0.84903785
   0.43182138  0.49598774  0.66184842
   0.20038803  0.38983325  0.71780474
   0.28587264  0.23398476 -0.10352156
   0.04479377  0.13228321  0.90793199
   0.10620815  0.56793757  0.10298623
   0.35982585  0.69256338  0.27217780
   0.11260630  0.82485672  0.04400777
   0.38438520  0.95250203  0.33700103
   0.40292798  0.90074561  0.15263640
   0.17179275  0.89404549  0.22830852
   0.30882783  0.66613904  0.46280283
   0.05961596  0.65698563  0.40477083
   0.10533604  0.57691521  0.58913568
   0.31169537  0.69550055  0.76741826
   0.08573598  0.83389069  0.51985141
   0.39129478  0.98479506  0.80549286
   0.45100820  0.87853036  0.63892048
   0.18254676  0.92841811  0.68358603
   0.24172153  0.65163712 -0.05707647
  -0.01167557  0.64529209  0.94195157
   0.58992439  0.08001593  0.10764918
   0.81657813  0.23279717  0.27567439
   0.58300759  0.33006910  0.02120261
   0.90955712  0.44521340  0.34962947
   0.01270199  0.33378756  0.19804026
   0.74788343  0.42766155  0.13859119
   0.76322393  0.18779549  0.46179091
   0.52309764  0.12067117  0.42690160
   0.65455657  0.05744373  0.59557690
   0.83380440  0.20090461  0.79149445
   0.55764192  0.31316579  0.55152667
   0.82149077  0.44728477  0.86643984
   0.94487070  0.38463383  0.66885769
   0.69080459  0.40192317  0.70367984
   0.78775519  0.11036604  0.97598109
   0.53569851  0.11244300  0.92173439
   0.53411625  0.57480896  0.07757806
   0.82878163  0.70740709  0.29314309
   0.59283407  0.83180948  0.03913007
   0.85787806  0.97544480  0.33959206
   0.91099170  0.87994449  0.17334049
   0.65187497  0.89010005  0.22827689
   0.81035304  0.62099956  0.46822004
   0.55591799  0.57503391  0.38220195
   0.60926335  0.59083481  0.56238334
   0.84531134  0.69349216  0.78478363
   0.61797119  0.82072955  0.44331786
   0.89394716  0.94809821  0.84763324
   0.93149542  0.88175554  0.66668983
   0.67244352  0.89689722  0.74697334
   0.73282741  0.64447117  0.95975069
   0.50291282  0.68968084  0.90196881
   0.67836749  0.81116018  0.58624784
   0.56508282  0.84020486  0.38847933
   0.83950379  0.20445136  0.09778771
   0.98815458  0.41358206  0.31101508
   0.33026114  0.10712372  0.63872160
   0.24774461  0.77505344  0.78123155
   0.02737312  1.12580510  0.15103913
   0.23989965  1.08340781  0.02749716
   0.62874497  0.32469441  0.87115271
   0.85813429  0.35916591  0.64723028
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958176    0.536171   -0.009657
    -0.000000    9.868361    0.246199
    -0.000000    0.000000   13.964360
   Si   O    H 
    32    64    10
Direct configuration=   877
   0.16856240  0.18698823 -0.03113386
   0.38043870  0.10092306  0.38425485
   0.11432961  0.40312997  0.11640606
   0.36460299  0.35366761  0.25659917
   0.10758188  0.17074896  0.48575212
   0.41158982  0.13738791  0.84444894
   0.09443814  0.41451498  0.62254966
   0.36083720  0.39797638  0.74546836
   0.10743858  0.67079088  0.01235546
   0.38962887  0.59960526  0.37242276
   0.06765884  0.91511330  0.13414647
   0.32603273  0.85864166  0.25371581
   0.14560593  0.67976378  0.50450580
   0.36729229  0.62627273  0.86852607
   0.05994040  0.92956886  0.60998659
   0.33998869  0.96838760  0.69253846
   0.62225220  0.16816412  1.00594220
   0.86025347  0.14755145  0.36964584
   0.58430151  0.42637596  0.11271936
   0.85139425  0.30687605  0.17741000
   0.62174109  0.16502880  0.51305924
   0.89341596  0.10346961  0.88368308
   0.58101918  0.44820317  0.61894225
   0.73859354  0.34448580  0.80782643
   0.58915371  0.68417163 -0.00094863
   0.91496140  0.61232630  0.37171736
   0.56367689  0.92496375  0.13045857
   0.81003446  0.87189038  0.25974601
   0.64236685  0.65542435  0.45878639
   0.84826055  0.60409177  0.88577392
   0.61171859  0.90833433  0.63834935
   0.84000511  0.85519027  0.75944764
   0.06100106  0.07162343  0.10734854
   0.36712794  0.20582281  0.29563032
   0.09947787  0.32663344  0.01884128
   0.33226043  0.45749543  0.34574496
   0.50936173  0.38281902  0.20611452
   0.26684679  0.37803844  0.16647043
   0.25205014  0.10017490  0.45291490
   0.01788009  0.17812781  0.38713356
   0.03376020  0.08905089  0.57179854
   0.44158715  0.25156003  0.75086426
   0.13129385  0.32697769  0.52405803
   0.38552885  0.46386443  0.84920713
   0.43296040  0.49490475  0.66152929
   0.20063473  0.38739654  0.71931227
   0.28740781  0.23420840 -0.10487392
   0.04425024  0.13098306  0.90847158
   0.10464365  0.56874289  0.10387771
   0.35758479  0.69372055  0.27296513
   0.11262957  0.82329150  0.04354514
   0.38423164  0.95313250  0.33778149
   0.40367211  0.90133481  0.15319773
   0.16880442  0.89355134  0.22807655
   0.30951074  0.66629394  0.46279047
   0.06082072  0.65704360  0.40379064
   0.10616193  0.57586107  0.59000908
   0.31337990  0.69582516  0.76715781
   0.08710218  0.83353639  0.51952000
   0.39029945  0.98495827  0.80505962
   0.44991774  0.87756851  0.63772539
   0.18120481  0.92730116  0.68340645
   0.24264356  0.65049886 -0.05572721
  -0.01055014  0.64503745  0.94272403
   0.59081035  0.08070796  0.10685431
   0.81429770  0.23340017  0.27562309
   0.58030027  0.32965961  0.02161694
   0.91015786  0.44529749  0.35026410
   0.01107229  0.33339388  0.19842880
   0.74588786  0.43008308  0.13810927
   0.76343587  0.18678323  0.46355501
   0.52359691  0.11974954  0.42652059
   0.65250775  0.05653612  0.59601925
   0.83452600  0.20035851  0.79099370
   0.55763644  0.31512234  0.55194713
   0.82331717  0.44694585  0.86565667
   0.94723888  0.38473985  0.66857533
   0.69143114  0.40143283  0.70467521
   0.78886327  0.11136848  0.97644401
   0.53480057  0.11352758  0.92176185
   0.53542056  0.57504039  0.07806378
   0.82978837  0.70685570  0.29323818
   0.59260551  0.83139643  0.03812590
   0.85652242  0.97559768  0.34079334
   0.91210015  0.88212684  0.17364637
   0.65062379  0.89067032  0.22867633
   0.80920470  0.62028579  0.46888369
   0.55777359  0.57529507  0.38230154
   0.60651568  0.59058674  0.56309032
   0.84461099  0.69380214  0.78501792
   0.61696742  0.81999400  0.44365558
   0.89462804  0.94795164  0.84822493
   0.93119673  0.88356660  0.66608193
   0.67269918  0.89836221  0.74824768
   0.73335001  0.64431061  0.96104710
   0.49855727  0.69085862  0.90182429
   0.68304386  0.80269574  0.58443812
   0.56494561  0.85056379  0.38215791
   0.85041028  0.20649768  0.09513973
   0.98272764  0.40786865  0.31178048
   0.33338110  0.10617660  0.64061876
   0.24675358  0.77465898  0.77767396
   0.01849264  1.13604020  0.16205025
   0.23270135  1.08522203  0.02644947
   0.62620477  0.32677007  0.86624992
   0.85609445  0.35344742  0.64793975
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955519    0.540225   -0.008119
    -0.000000    9.868668    0.246437
    -0.000000    0.000000   13.963779
   Si   O    H 
    32    64    10
Direct configuration=   878
   0.17051079  0.18520639 -0.03119567
   0.38012001  0.10105168  0.38513841
   0.11440320  0.40455673  0.11629789
   0.36457300  0.35355669  0.25621210
   0.10690039  0.17014009  0.48631282
   0.41002934  0.13683966  0.84522860
   0.09376660  0.41563240  0.62325634
   0.35975523  0.39883709  0.74480772
   0.10817146  0.67095299  0.01259723
   0.38946666  0.59914319  0.37307731
   0.06564936  0.91577134  0.13423948
   0.32662308  0.85796034  0.25348121
   0.14388219  0.68092891  0.50424032
   0.36760201  0.62667798  0.86802808
   0.05902069  0.92909651  0.61014442
   0.33918434  0.96955627  0.69250809
   0.62098964  0.16845861  1.00601732
   0.85941523  0.14833894  0.36929529
   0.58466912  0.42565945  0.11205241
   0.85232376  0.30748265  0.17826197
   0.62176332  0.16463299  0.51304565
   0.89274821  0.10212520  0.88295445
   0.58033486  0.44827147  0.61844070
   0.73830841  0.34455579  0.80812609
   0.58775563  0.68499792 -0.00037132
   0.91418434  0.61299208  0.37211733
   0.56476433  0.92474373  0.13025222
   0.81162743  0.87170379  0.25910297
   0.64397001  0.65627550  0.45850216
   0.85056732  0.60345118  0.88539264
   0.61121781  0.90824013  0.63774382
   0.83919684  0.85500624  0.75873676
   0.05975277  0.07184710  0.10670096
   0.36569765  0.20592020  0.29569181
   0.09691868  0.32569365  0.01796552
   0.33262304  0.45492255  0.34671321
   0.50830627  0.38279109  0.20598930
   0.26696450  0.37665202  0.16683574
   0.25307783  0.10022276  0.45346174
   0.01849442  0.17854924  0.38663497
   0.03269203  0.08833221  0.57201234
   0.44126759  0.25009537  0.75079936
   0.13085166  0.32659718  0.52450058
   0.38692055  0.46408654  0.84928625
   0.43430113  0.49280558  0.66126313
   0.20027834  0.38531249  0.72033962
   0.28818308  0.23367655 -0.10571781
   0.04393337  0.13033769  0.90898975
   0.10274730  0.56881765  0.10464532
   0.35606028  0.69575162  0.27400514
   0.11173565  0.82270898  0.04367345
   0.38372732  0.95267264  0.33829473
   0.40488427  0.90242802  0.15303959
   0.16629938  0.89275731  0.22806832
   0.30947436  0.66660323  0.46366547
   0.06202373  0.65755860  0.40309877
   0.10799954  0.57511460  0.59090346
   0.31402654  0.69682979  0.76670047
   0.08913032  0.83356087  0.51948128
   0.38852474  0.98702179  0.80475581
   0.44949947  0.87519534  0.63626164
   0.18042373  0.92637407  0.68404120
   0.24357679  0.64867177 -0.05478414
  -0.01011431  0.64370255  0.94279217
   0.59202939  0.08172498  0.10551998
   0.81221133  0.23380761  0.27558968
   0.57759414  0.32862301  0.02194915
   0.91029208  0.44604823  0.35074914
   0.01004914  0.33290149  0.19846948
   0.74544563  0.43186789  0.13789443
   0.76340788  0.18566803  0.46451978
   0.52442696  0.11797343  0.42567574
   0.65013429  0.05526418  0.59653266
   0.83519299  0.20017154  0.79097662
   0.55837603  0.31541757  0.55225012
   0.82462804  0.44713647  0.86506595
   0.95023404  0.38459958  0.66838772
   0.69203795  0.40201322  0.70539682
   0.78926353  0.11197227  0.97716737
   0.53390226  0.11501053  0.92171406
   0.53600504  0.57648630  0.07836771
   0.83146808  0.70684479  0.29416716
   0.59215085  0.83199250  0.03687204
   0.85524459  0.97655588  0.34212538
   0.91311100  0.88409061  0.17352222
   0.65002826  0.89062256  0.22922652
   0.80813361  0.61957873  0.46838280
   0.55890603  0.57578454  0.38177829
   0.60354742  0.59004339  0.56375676
   0.84371887  0.69375072  0.78543713
   0.61630147  0.81986805  0.44372825
   0.89501342  0.94799319  0.84789508
   0.93191058  0.88571617  0.66591652
   0.67347966  0.90001434  0.74931838
   0.73421037  0.64444904  0.96256930
   0.49485348  0.69236843  0.90175228
   0.69099506  0.79456954  0.58203044
   0.56628564  0.85556293  0.38063881
   0.86073884  0.21078906  0.09881296
   0.97945133  0.40170301  0.31043935
   0.33902526  0.10200363  0.64385933
   0.24983056  0.76827002  0.77203174
   0.01622580  1.14120419  0.16694232
   0.23174558  1.08617284  0.02907432
   0.62115730  0.32742550  0.86101946
   0.86458124  0.35074636  0.65025058
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952729    0.543866   -0.006133
    -0.000000    9.868377    0.246847
    -0.000000    0.000000   13.963189
   Si   O    H 
    32    64    10
Direct configuration=   879
   0.17200109  0.18390912 -0.03123205
   0.37975159  0.10142177  0.38574476
   0.11401871  0.40499845  0.11652194
   0.36372864  0.35422216  0.25530932
   0.10604244  0.16973101  0.48641976
   0.40878742  0.13744807  0.84610791
   0.09411041  0.41640241  0.62398968
   0.35866668  0.40016757  0.74396953
   0.10867468  0.67181931  0.01266810
   0.38977853  0.59886890  0.37324325
   0.06391873  0.91590249  0.13406975
   0.32764179  0.85804728  0.25310663
   0.14221415  0.68157051  0.50383587
   0.36706178  0.62665512  0.86721861
   0.05810286  0.92913110  0.61003790
   0.33826965  0.97015540  0.69261474
   0.62016533  0.16869874  1.00627637
   0.85856857  0.14905434  0.36916677
   0.58527232  0.42569788  0.11181601
   0.85354128  0.30848202  0.17914331
   0.62142162  0.16474269  0.51273759
   0.89234043  0.10123085  0.88240687
   0.57929600  0.44903685  0.61815868
   0.73843013  0.34421775  0.80797187
   0.58553848  0.68580231  0.00040518
   0.91345759  0.61319478  0.37328197
   0.56541458  0.92489981  0.13012215
   0.81325288  0.87175782  0.25864143
   0.64623991  0.65631609  0.45834974
   0.85330261  0.60284256  0.88504451
   0.61095593  0.90773506  0.63737916
   0.83837999  0.85495853  0.75839370
   0.05784652  0.07320711  0.10654017
   0.36433100  0.20598319  0.29594220
   0.09522062  0.32471506  0.01688662
   0.33223458  0.45201541  0.34737961
   0.50719113  0.38318272  0.20541809
   0.26579485  0.37514227  0.16676138
   0.25296636  0.10023379  0.45409197
   0.01926538  0.17964133  0.38594846
   0.03163698  0.08740087  0.57199457
   0.44075644  0.24858459  0.75088529
   0.13007644  0.32677386  0.52445713
   0.38887047  0.46408928  0.84898082
   0.43503973  0.48950843  0.66105104
   0.19937461  0.38287633  0.72053889
   0.28849613  0.23288142 -0.10659853
   0.04400678  0.12965778  0.90969510
   0.10122914  0.56863464  0.10562347
   0.35490352  0.69790295  0.27543454
   0.11085421  0.82263743  0.04379926
   0.38315864  0.95218038  0.33878044
   0.40566638  0.90379571  0.15263537
   0.16473013  0.89116218  0.22854574
   0.30964721  0.66605513  0.46509591
   0.06369213  0.65828475  0.40246923
   0.10874886  0.57432389  0.59196193
   0.31552487  0.69691747  0.76669200
   0.09088434  0.83353155  0.51965039
   0.38711073  0.98892825  0.80405053
   0.44955823  0.87326558  0.63496042
   0.18061456  0.92514947  0.68457448
   0.24387418  0.64697828 -0.05408064
  -0.01079992  0.64330000  0.94242572
   0.59232592  0.08283159  0.10401810
   0.80984031  0.23416672  0.27532594
   0.57498400  0.32706882  0.02199790
   0.91074607  0.44745436  0.35134669
   0.00898309  0.33256262  0.19856565
   0.74541883  0.43350780  0.13761469
   0.76438798  0.18478251  0.46529423
   0.52548445  0.11632194  0.42535348
   0.64708341  0.05432080  0.59697302
   0.83605354  0.20048599  0.79112072
   0.55979099  0.31484665  0.55233631
   0.82605484  0.44772517  0.86443428
   0.95369713  0.38503054  0.66862916
   0.69192470  0.40257120  0.70563385
   0.78966013  0.11267565  0.97777461
   0.53330132  0.11675259  0.92107405
   0.53728082  0.57844413  0.07902428
   0.83304650  0.70733957  0.29409112
   0.59212104  0.83314224  0.03678031
   0.85338185  0.97660484  0.34356864
   0.91415066  0.88556927  0.17293986
   0.64981776  0.89046376  0.22970907
   0.80749017  0.61912338  0.46821285
   0.56012318  0.57594680  0.38021439
   0.60080681  0.58913931  0.56407972
   0.84326814  0.69382059  0.78606719
   0.61524029  0.81984054  0.44387155
   0.89534932  0.94697723  0.84703045
   0.93188904  0.88712348  0.66528966
   0.67469046  0.90138484  0.74981904
   0.73544864  0.64404276  0.96363451
   0.49222356  0.69434857  0.90209817
   0.69705039  0.79297515  0.58395308
   0.57355822  0.85589352  0.38710327
   0.86865387  0.21444415  0.10230660
   0.97704260  0.39941663  0.30840094
   0.34319875  0.10117151  0.64588425
   0.24498266  0.76854487  0.76740325
   0.02408369  1.13214237  0.16062777
   0.23520643  1.08125207  0.03350455
   0.61133166  0.32871526  0.85699694
   0.87285014  0.34689419  0.64953729
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949823    0.547893   -0.003889
    -0.000000    9.867845    0.246849
    -0.000000    0.000000   13.962826
   Si   O    H 
    32    64    10
Direct configuration=   880
   0.17266807  0.18242584 -0.03133977
   0.37966934  0.10129065  0.38618867
   0.11313971  0.40483048  0.11697364
   0.36369226  0.35482205  0.25443153
   0.10566905  0.16944747  0.48645861
   0.40735948  0.13857187  0.84720450
   0.09425733  0.41701857  0.62474745
   0.35837968  0.40146310  0.74308057
   0.10881028  0.67240383  0.01249422
   0.39023452  0.59921512  0.37322020
   0.06244307  0.91546777  0.13407996
   0.32868465  0.85896264  0.25292493
   0.14126719  0.68168980  0.50347959
   0.36542593  0.62720371  0.86675254
   0.05780606  0.92992864  0.60961706
   0.33725498  0.97025995  0.69283383
   0.61945267  0.16927219  1.00636204
   0.85788475  0.14937627  0.36930881
   0.58542231  0.42569869  0.11163215
   0.85448322  0.30943338  0.17985511
   0.62097896  0.16513157  0.51234185
   0.89208789  0.10096097  0.88173617
   0.57895753  0.44975312  0.61790243
   0.73841054  0.34372979  0.80793039
   0.58346798  0.68639808  0.00079365
   0.91293726  0.61276008  0.37417796
   0.56611385  0.92453021  0.13028137
   0.81474588  0.87155929  0.25831859
   0.64827874  0.65618621  0.45786519
   0.85560965  0.60259325  0.88506923
   0.61073413  0.90740664  0.63674793
   0.83811477  0.85472380  0.75841444
   0.05645014  0.07448945  0.10628829
   0.36284587  0.20483098  0.29645080
   0.09394584  0.32432441  0.01588123
   0.33261295  0.44991328  0.34765116
   0.50644694  0.38358527  0.20605081
   0.26386069  0.37425404  0.16666425
   0.25280380  0.10155822  0.45459449
   0.01972671  0.18014456  0.38605301
   0.03113414  0.08629488  0.57224072
   0.44038413  0.24683371  0.75194869
   0.12973291  0.32668516  0.52405750
   0.39067340  0.46487436  0.84875128
   0.43531425  0.48724926  0.66096829
   0.19759651  0.38121179  0.72035870
   0.28879731  0.23197079 -0.10782915
   0.04509538  0.12868737  0.90991610
   0.10031091  0.56828098  0.10605731
   0.35486302  0.69938092  0.27677891
   0.10915597  0.82319714  0.04426542
   0.38238920  0.95165157  0.33972670
   0.40578440  0.90470962  0.15253828
   0.16362548  0.89011682  0.22920991
   0.30978584  0.66486458  0.46581860
   0.06490208  0.65918026  0.40181539
   0.10933323  0.57376262  0.59259000
   0.31725138  0.69682191  0.76640086
   0.09322935  0.83402744  0.52021150
   0.38595535  0.99051828  0.80355755
   0.44965727  0.87156250  0.63400737
   0.18184967  0.92336401  0.68466639
   0.24429529  0.64465562 -0.05277175
  -0.01222409  0.64232023  0.94213291
   0.59272260  0.08434462  0.10227308
   0.80778679  0.23429915  0.27543931
   0.57215019  0.32639745  0.02227424
   0.91135657  0.44875743  0.35228115
   0.00927369  0.33284688  0.19835008
   0.74559602  0.43454751  0.13736181
   0.76595455  0.18432328  0.46586725
   0.52600488  0.11411073  0.42521454
   0.64371035  0.05328129  0.59777535
   0.83665113  0.20142353  0.79156842
   0.56107926  0.31446363  0.55233177
   0.82718252  0.44896826  0.86355370
   0.95765132  0.38563555  0.66943039
   0.69144059  0.40246847  0.70540055
   0.78937910  0.11325117  0.97802901
   0.53279432  0.11805715  0.92047239
   0.53813885  0.58039838  0.07968236
   0.83489880  0.70800845  0.29465631
   0.59177117  0.83495511  0.03634289
   0.85115804  0.97656233  0.34578249
   0.91477062  0.88680935  0.17263934
   0.65038484  0.89009307  0.23037006
   0.80733432  0.61920119  0.46776456
   0.56170378  0.57636116  0.37863073
   0.59917646  0.58949648  0.56384958
   0.84270341  0.69339746  0.78635999
   0.61474125  0.81935650  0.44417309
   0.89436842  0.94631577  0.84609579
   0.93110426  0.88826568  0.66513753
   0.67592619  0.90199753  0.75006222
   0.73648867  0.64347198  0.96470667
   0.49061661  0.69643036  0.90308102
   0.70083159  0.79598390  0.58882433
   0.57651469  0.85869019  0.38762004
   0.87354423  0.22053692  0.10218755
   0.97185722  0.40273641  0.30840920
   0.34725530  0.09964831  0.64568453
   0.23922182  0.76807952  0.76416729
   0.02991003  1.12072875  0.15478538
   0.24148393  1.07733958  0.03755843
   0.60219404  0.32739593  0.85605649
   0.87638805  0.34253806  0.64755388
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946741    0.551615   -0.001821
    -0.000000    9.867243    0.247570
    -0.000000    0.000000   13.962388
   Si   O    H 
    32    64    10
Direct configuration=   881
   0.17328466  0.18096923 -0.03099721
   0.37953145  0.10104672  0.38648337
   0.11218927  0.40473813  0.11737970
   0.36393649  0.35529367  0.25383867
   0.10562868  0.16922353  0.48657270
   0.40630561  0.13966007  0.84849417
   0.09473225  0.41758679  0.62552380
   0.35892699  0.40241347  0.74244354
   0.10933836  0.67312384  0.01199554
   0.39084238  0.59973206  0.37294801
   0.06121529  0.91430202  0.13429539
   0.32921337  0.86003114  0.25284864
   0.14074172  0.68149191  0.50334173
   0.36318451  0.62795985  0.86642528
   0.05768735  0.93097101  0.60901061
   0.33654230  0.97012622  0.69288350
   0.61919612  0.16935521  1.00608229
   0.85732811  0.14954032  0.36962556
   0.58615564  0.42592599  0.11111963
   0.85478147  0.31001464  0.18038111
   0.62050858  0.16551567  0.51215608
   0.89163843  0.10071705  0.88115701
   0.57899210  0.44972859  0.61749335
   0.73845162  0.34302633  0.80797130
   0.58172798  0.68699609  0.00092626
   0.91310797  0.61131429  0.37507338
   0.56713264  0.92414662  0.13031071
   0.81644295  0.87160221  0.25832164
   0.65016588  0.65588295  0.45691831
   0.85761962  0.60225182  0.88524214
   0.61032408  0.90675758  0.63627485
   0.83830834  0.85438709  0.75888736
   0.05607592  0.07439165  0.10523406
   0.36166863  0.20406380  0.29653487
   0.09291162  0.32359363  0.01539541
   0.33293009  0.44874166  0.34806776
   0.50596543  0.38391366  0.20655858
   0.26211213  0.37381156  0.16537727
   0.25270776  0.10271158  0.45490347
   0.01965470  0.18043461  0.38591730
   0.03110446  0.08588414  0.57197404
   0.43903667  0.24532008  0.75270907
   0.12939985  0.32587876  0.52373974
   0.39270307  0.46586235  0.84891325
   0.43488923  0.48589187  0.66111175
   0.19543334  0.38014626  0.71977832
   0.28836726  0.23098607 -0.10911129
   0.04576169  0.12783338  0.90999975
   0.09965391  0.56753982  0.10659682
   0.35526606  0.70063218  0.27843756
   0.10834726  0.82374858  0.04499882
   0.38179478  0.95063318  0.34055564
   0.40567329  0.90577932  0.15242983
   0.16346366  0.89027028  0.22977205
   0.30938728  0.66336767  0.46639540
   0.06547614  0.65977143  0.40080826
   0.10975698  0.57352244  0.59309524
   0.31889540  0.69696758  0.76557552
   0.09446207  0.83458320  0.52104280
   0.38450332  0.99229789  0.80307477
   0.45008513  0.86947940  0.63349292
   0.18334478  0.92096659  0.68431192
   0.24413404  0.64214658 -0.05186549
  -0.01393585  0.64200590  0.94242476
   0.59322129  0.08535902  0.10004585
   0.80512595  0.23398097  0.27578535
   0.56989807  0.32566114  0.02322159
   0.91176397  0.45053593  0.35364147
   0.01026276  0.33389643  0.19850468
   0.74557846  0.43517970  0.13759835
   0.76808753  0.18348215  0.46657515
   0.52682001  0.11267555  0.42558152
   0.64131346  0.05324565  0.59842171
   0.83655636  0.20261846  0.79253473
   0.56247144  0.31340607  0.55223445
   0.82869573  0.44967307  0.86263316
   0.96036208  0.38581541  0.66976383
   0.69070506  0.40266902  0.70459123
   0.78891111  0.11459750  0.97802895
   0.53196122  0.11839057  0.91993707
   0.53911650  0.58181601  0.08063664
   0.83654340  0.70828933  0.29518705
   0.59132297  0.83738516  0.03609799
   0.84928252  0.97613236  0.34755004
   0.91520145  0.88821656  0.17277280
   0.65178968  0.88948906  0.23138925
   0.80825432  0.61838527  0.46684594
   0.56250290  0.57735187  0.37692547
   0.59824381  0.58995395  0.56320109
   0.84232026  0.69243051  0.78664917
   0.61463338  0.81820726  0.44475491
   0.89322384  0.94580535  0.84523266
   0.93005190  0.88863584  0.66446020
   0.67717721  0.90273845  0.75038152
   0.73659262  0.64286970  0.96623450
   0.48897689  0.69702691  0.90419498
   0.70213264  0.80038018  0.59585780
   0.57569214  0.86323271  0.38416422
   0.87493734  0.22085568  0.10007511
   0.96860555  0.40469212  0.30760194
   0.35091318  0.10150895  0.64311357
   0.23978543  0.76354272  0.76128950
   0.02513262  1.13198249  0.16393240
   0.24904445  1.07469274  0.03715607
   0.59862186  0.32616931  0.85471999
   0.88069338  0.34156477  0.64625862
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943707    0.554617    0.000181
    -0.000000    9.866575    0.247868
    -0.000000    0.000000   13.961928
   Si   O    H 
    32    64    10
Direct configuration=   882
   0.17321684  0.17963660 -0.03071103
   0.37990902  0.10143171  0.38723685
   0.11061742  0.40480647  0.11771228
   0.36354534  0.35565377  0.25319854
   0.10559486  0.16963547  0.48698323
   0.40569839  0.14105901  0.85005658
   0.09521854  0.41778774  0.62592650
   0.35946864  0.40258245  0.74179922
   0.11017581  0.67372469  0.01144199
   0.39139568  0.60002407  0.37248328
   0.05997810  0.91324872  0.13516451
   0.32973816  0.86080689  0.25280847
   0.14137041  0.68131544  0.50325498
   0.36083657  0.62826049  0.86631427
   0.05715218  0.93178330  0.60878128
   0.33594804  0.96974061  0.69301339
   0.61978536  0.16880561  1.00574368
   0.85701182  0.14933034  0.37031255
   0.58683547  0.42620332  0.11096598
   0.85479586  0.31053768  0.18071255
   0.61959474  0.16619507  0.51168942
   0.89107545  0.10012714  0.88083644
   0.57925932  0.44969684  0.61722273
   0.73781872  0.34232719  0.80859695
   0.58074091  0.68759698  0.00069733
   0.91260157  0.61047073  0.37601039
   0.56808504  0.92417737  0.13059582
   0.81786874  0.87111386  0.25891010
   0.65179078  0.65493721  0.45570241
   0.85876946  0.60237730  0.88565178
   0.61017462  0.90540063  0.63557836
   0.83821588  0.85462042  0.75927727
   0.05558303  0.07535172  0.10437479
   0.36004603  0.20278627  0.29641907
   0.09283466  0.32288671  0.01533365
   0.33352318  0.44857434  0.34841958
   0.50613831  0.38394633  0.20675864
   0.25972974  0.37342517  0.16394384
   0.25195484  0.10416840  0.45579919
   0.01960307  0.18098713  0.38650423
   0.03107777  0.08487122  0.57119572
   0.43845743  0.24474131  0.75332552
   0.12919680  0.32518486  0.52370372
   0.39376989  0.46677634  0.84906055
   0.43469206  0.48456448  0.66118650
   0.19362262  0.37920701  0.71890408
   0.28719085  0.23030524 -0.11001614
   0.04612351  0.12706650  0.90995044
   0.09871761  0.56678005  0.10705845
   0.35554572  0.70123842  0.27941888
   0.10707157  0.82536812  0.04525550
   0.38151103  0.94941683  0.34167445
   0.40561580  0.90673198  0.15217518
   0.16301278  0.89010531  0.23043465
   0.30873923  0.66252398  0.46664777
   0.06649101  0.65997016  0.40015283
   0.11089461  0.57261560  0.59339963
   0.32025304  0.69720492  0.76411438
   0.09576384  0.83479017  0.52186613
   0.38344489  0.99481420  0.80274790
   0.45048682  0.86808597  0.63215945
   0.18427414  0.91934225  0.68420515
   0.24404188  0.64007415 -0.05111733
  -0.01503310  0.64188906  0.94240338
   0.59358329  0.08572127  0.09821622
   0.80211740  0.23296594  0.27636709
   0.56776810  0.32447394  0.02418722
   0.91265288  0.45185335  0.35573392
   0.01151647  0.33537715  0.19856539
   0.74556263  0.43647750  0.13833964
   0.77014788  0.18280372  0.46666096
   0.52846879  0.11134006  0.42615313
   0.63915005  0.05400831  0.59861588
   0.83563353  0.20314638  0.79352437
   0.56401203  0.31229933  0.55162720
   0.83089811  0.44978080  0.86170030
   0.96049408  0.38585061  0.67038670
   0.69079775  0.40338986  0.70351681
   0.78761772  0.11534789  0.97761973
   0.53122289  0.11871374  0.91988665
   0.53972856  0.58286027  0.08161584
   0.83731303  0.70916139  0.29526694
   0.59070074  0.84072956  0.03669174
   0.84668864  0.97612726  0.34899363
   0.91521979  0.88948288  0.17277048
   0.65319885  0.88900761  0.23205372
   0.81012073  0.61780653  0.46581695
   0.56266363  0.57759714  0.37574118
   0.59791679  0.59120084  0.56235409
   0.84170910  0.69186335  0.78613689
   0.61455489  0.81799951  0.44476931
   0.89123700  0.94518726  0.84416147
   0.92897674  0.88856982  0.66365109
   0.67832011  0.90376039  0.75019598
   0.73587350  0.64175641  0.96679174
   0.48764085  0.69686358  0.90568035
   0.70148732  0.80611951  0.60254181
   0.57823965  0.86471418  0.38475475
   0.87370649  0.22049355  0.09907435
   0.96973340  0.40798129  0.30479834
   0.34911977  0.10444961  0.63802760
   0.24414452  0.75580533  0.75948143
   0.02613679  1.13675912  0.16487815
   0.25442378  1.07931992  0.03354781
   0.60328316  0.32739023  0.85239656
   0.88673126  0.34157712  0.64386752
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940949    0.557143    0.002101
    -0.000000    9.865829    0.248760
    -0.000000    0.000000   13.961251
   Si   O    H 
    32    64    10
Direct configuration=   883
   0.17338421  0.17891452 -0.03062828
   0.38020857  0.10138140  0.38774893
   0.10994042  0.40446608  0.11798783
   0.36350148  0.35579668  0.25286877
   0.10568916  0.16970825  0.48751614
   0.40499403  0.14316321  0.85147342
   0.09629953  0.41802549  0.62560733
   0.36007531  0.40233670  0.74164587
   0.11110884  0.67353414  0.01092475
   0.39180158  0.60021735  0.37230077
   0.05935759  0.91280634  0.13542104
   0.33002273  0.86167684  0.25268488
   0.14238173  0.68105175  0.50310663
   0.35785512  0.62830179  0.86623218
   0.05697668  0.93263586  0.60878413
   0.33555807  0.96961952  0.69294966
   0.62100477  0.16837822  1.00516613
   0.85662132  0.14846294  0.37064100
   0.58738480  0.42661885  0.11082720
   0.85472960  0.31073280  0.18108919
   0.61880729  0.16728301  0.51124858
   0.89032465  0.09973910  0.88070290
   0.57968092  0.44991155  0.61702590
   0.73676294  0.34181046  0.80939700
   0.58053537  0.68833933  0.00066813
   0.91200516  0.61024009  0.37671424
   0.56857433  0.92460981  0.13055168
   0.81908293  0.87107851  0.25978020
   0.65330761  0.65380494  0.45497561
   0.85969016  0.60302517  0.88601983
   0.60987554  0.90328710  0.63505171
   0.83845342  0.85465828  0.75945771
   0.05437417  0.07679080  0.10391022
   0.35907660  0.20237396  0.29641866
   0.09394739  0.32180126  0.01564525
   0.33411293  0.44928599  0.34846472
   0.50672135  0.38501915  0.20702752
   0.25770108  0.37346026  0.16240495
   0.25134334  0.10573527  0.45702790
   0.01926035  0.18184680  0.38680446
   0.03122210  0.08421521  0.57061282
   0.43762729  0.24458566  0.75438966
   0.12878663  0.32498081  0.52414823
   0.39455162  0.46765554  0.84918287
   0.43519329  0.48211567  0.66147586
   0.19186633  0.37890193  0.71799102
   0.28625400  0.23028455 -0.11023985
   0.04651234  0.12517789  0.90962840
   0.09720063  0.56722693  0.10722726
   0.35646161  0.70207700  0.28060577
   0.10584946  0.82724547  0.04532982
   0.38122967  0.94730300  0.34231421
   0.40569579  0.90785128  0.15145726
   0.16262567  0.88888896  0.23125119
   0.30947443  0.66122874  0.46723094
   0.06716506  0.65927972  0.39905067
   0.11201410  0.57297411  0.59322080
   0.32182495  0.69707378  0.76275443
   0.09652070  0.83506277  0.52239610
   0.38234193  0.99764168  0.80220687
   0.45050207  0.86763119  0.63171242
   0.18445100  0.91831049  0.68394576
   0.24270790  0.63856802 -0.05046099
  -0.01582390  0.64207655  0.94256840
   0.59399667  0.08563616  0.09705013
   0.79945090  0.23234802  0.27638766
   0.56577611  0.32358357  0.02473852
   0.91360302  0.45309434  0.35716369
   0.01256643  0.33718667  0.19874947
   0.74654685  0.43762417  0.13975635
   0.77205603  0.18210538  0.46687301
   0.53054091  0.11039205  0.42681985
   0.63706634  0.05444598  0.59872573
   0.83506827  0.20337995  0.79430952
   0.56575144  0.31137744  0.55152294
   0.83222787  0.45011046  0.86054920
   0.95910180  0.38615114  0.67116304
   0.69145006  0.40390027  0.70224300
   0.78555745  0.11641956  0.97726793
   0.53067327  0.11863033  0.91929592
   0.54020331  0.58336875  0.08249800
   0.83836932  0.70986279  0.29515819
   0.59088494  0.84389181  0.03748625
   0.84424450  0.97631624  0.34963831
   0.91509685  0.89056932  0.17253657
   0.65475933  0.88849600  0.23234022
   0.81200012  0.61664783  0.46538733
   0.56189423  0.57791368  0.37502263
   0.59834591  0.59263358  0.56122933
   0.84100152  0.69158237  0.78571824
   0.61471381  0.81820205  0.44550958
   0.88905316  0.94429318  0.84326946
   0.92877897  0.88709225  0.66308817
   0.67864559  0.90462187  0.74976649
   0.73448696  0.64177578  0.96713213
   0.48680445  0.69722881  0.90704562
   0.70416053  0.80398607  0.60537681
   0.58034665  0.86359638  0.38907645
   0.86988322  0.22027865  0.09655009
   0.97135220  0.41329159  0.30554208
   0.34624272  0.10515954  0.63303091
   0.23751163  0.75610187  0.75761968
   0.03350813  1.13426539  0.15854229
   0.25914890  1.08475021  0.02744929
   0.61209638  0.32660149  0.85057561
   0.88844389  0.34354125  0.63898964
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938637    0.559722    0.004114
    -0.000000    9.865732    0.249481
    -0.000000    0.000000   13.960504
   Si   O    H 
    32    64    10
Direct configuration=   884
   0.17347715  0.17850636 -0.03086578
   0.38027455  0.10049736  0.38792368
   0.10938375  0.40456308  0.11820973
   0.36371623  0.35541708  0.25244526
   0.10558424  0.17072051  0.48755414
   0.40487575  0.14550829  0.85250739
   0.09758426  0.41850101  0.62525188
   0.36006010  0.40185614  0.74144095
   0.11129516  0.67261854  0.01011265
   0.39265233  0.60088518  0.37221237
   0.05946917  0.91262937  0.13587744
   0.33014115  0.86185569  0.25269862
   0.14347363  0.68064253  0.50314077
   0.35450349  0.62831290  0.86619576
   0.05709228  0.93339141  0.60853504
   0.33572995  0.96973254  0.69225569
   0.62286591  0.16794479  1.00460103
   0.85637805  0.14678305  0.37078018
   0.58807460  0.42698331  0.11069532
   0.85408264  0.31092275  0.18084979
   0.61783663  0.16864961  0.51078211
   0.88971261  0.09915479  0.88051814
   0.58032440  0.44980090  0.61692991
   0.73602667  0.34178808  0.81000338
   0.58084296  0.68943996  0.00063080
   0.91185370  0.61006547  0.37697085
   0.56849069  0.92489791  0.13059816
   0.81980309  0.87096787  0.26115756
   0.65430758  0.65280799  0.45449943
   0.85979401  0.60439376  0.88639205
   0.60903271  0.90121833  0.63466645
   0.83846675  0.85409274  0.75965719
   0.05359948  0.07662462  0.10366888
   0.35777282  0.20154302  0.29620994
   0.09540914  0.32104183  0.01597684
   0.33386144  0.44941604  0.34872141
   0.50730674  0.38560797  0.20766707
   0.25614544  0.37371817  0.16129695
   0.24992963  0.10787861  0.45750817
   0.01970108  0.18263104  0.38703655
   0.03146484  0.08402554  0.57022641
   0.43701829  0.24513383  0.75578209
   0.12881734  0.32404389  0.52504011
   0.39441555  0.46885574  0.84926438
   0.43630116  0.48020605  0.66149756
   0.19068887  0.37974552  0.71708197
   0.28443011  0.23004166 -0.10947670
   0.04616677  0.12334427  0.90890576
   0.09514428  0.56855503  0.10689945
   0.35724821  0.70260746  0.28161056
   0.10413076  0.82876011  0.04521468
   0.38040574  0.94550000  0.34302399
   0.40540018  0.90972758  0.15112800
   0.16287021  0.88835067  0.23175092
   0.31039096  0.66073930  0.46732098
   0.06748425  0.65952448  0.39820967
   0.11316115  0.57345841  0.59313763
   0.32357054  0.69756655  0.76156535
   0.09735600  0.83622449  0.52234879
   0.38196764  1.00082837  0.80112409
   0.45073967  0.86713437  0.63180203
   0.18483959  0.91683515  0.68374765
   0.24213550  0.63781088 -0.05009850
  -0.01575595  0.64201369  0.94295882
   0.59479020  0.08366608  0.09666924
   0.79664433  0.23200357  0.27639060
   0.56393965  0.32287584  0.02560293
   0.91494715  0.45382518  0.35810420
   0.01384743  0.33816940  0.19977777
   0.74783738  0.43839929  0.14089076
   0.77406771  0.18174707  0.46628457
   0.53186405  0.10915959  0.42771443
   0.63600585  0.05577825  0.59900780
   0.83396698  0.20349444  0.79477193
   0.56694309  0.31074686  0.55154013
   0.83369590  0.45057161  0.85982456
   0.95756164  0.38684846  0.67178253
   0.69189952  0.40477875  0.70041703
   0.78302962  0.11798329  0.97644039
   0.53025264  0.11915348  0.91923298
   0.54081588  0.58299508  0.08291627
   0.83940930  0.71079082  0.29553671
   0.59083814  0.84611651  0.03782897
   0.84211362  0.97668192  0.35054781
   0.91399666  0.89196846  0.17245662
   0.65698677  0.88782536  0.23233447
   0.81365060  0.61587446  0.46480623
   0.56137608  0.57750692  0.37463309
   0.59832611  0.59402848  0.55991956
   0.83981540  0.69181843  0.78522394
   0.61499684  0.81812511  0.44651507
   0.88755347  0.94375528  0.84244174
   0.92744296  0.88536156  0.66298569
   0.67878430  0.90502684  0.74891165
   0.73343310  0.64228101  0.96733726
   0.48656780  0.69706998  0.90812084
   0.70748127  0.79730437  0.60193422
   0.57938335  0.86269143  0.38948897
   0.86347882  0.22487048  0.09332870
   0.97223711  0.42046983  0.30876994
   0.34278789  0.10067927  0.63120366
   0.23227391  0.75696637  0.75536764
   0.04155247  1.13186702  0.15079231
   0.26199975  1.09034045  0.02342785
   0.61558402  0.32523457  0.85489699
   0.88890216  0.34295916  0.63308398
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936482    0.561655    0.006159
    -0.000000    9.865987    0.250560
    -0.000000    0.000000   13.960155
   Si   O    H 
    32    64    10
Direct configuration=   885
   0.17323811  0.17850386 -0.03134050
   0.38015291  0.09939000  0.38789751
   0.10899742  0.40471463  0.11805220
   0.36426551  0.35546727  0.25215837
   0.10491669  0.17157956  0.48788232
   0.40502124  0.14707744  0.85357798
   0.09873347  0.41859124  0.62486361
   0.36024630  0.40164052  0.74130319
   0.11096749  0.67152636  0.00972393
   0.39341116  0.60131407  0.37237885
   0.05956033  0.91219923  0.13634971
   0.33008195  0.86187564  0.25284475
   0.14481738  0.68025799  0.50287744
   0.35190378  0.62828268  0.86628538
   0.05812504  0.93336558  0.60819087
   0.33640994  0.97014501  0.69150228
   0.62421742  0.16747602  1.00378286
   0.85653495  0.14558084  0.37032163
   0.58878846  0.42690799  0.11033505
   0.85267045  0.31133872  0.18067981
   0.61780561  0.16965024  0.51010488
   0.88954921  0.09882351  0.88091743
   0.58128505  0.44942085  0.61649700
   0.73610922  0.34191230  0.81044265
   0.58161417  0.69044437  0.00072368
   0.91215019  0.61003785  0.37663238
   0.56810521  0.92552886  0.13149532
   0.82011980  0.87096447  0.26237711
   0.65472467  0.65182006  0.45413985
   0.85951787  0.60539997  0.88684468
   0.60896051  0.89898170  0.63448860
   0.83802364  0.85357668  0.75966420
   0.05371698  0.07460836  0.10278592
   0.35580061  0.20162390  0.29635399
   0.09675966  0.32023002  0.01643178
   0.33370491  0.44908472  0.34844398
   0.50760447  0.38646936  0.20796728
   0.25484709  0.37316290  0.16131727
   0.24854883  0.10919314  0.45799001
   0.01886808  0.18309509  0.38765595
   0.03112925  0.08484938  0.56931512
   0.43637947  0.24578535  0.75735250
   0.12864188  0.32304201  0.52640209
   0.39405571  0.46989064  0.84897966
   0.43675516  0.47884987  0.66148774
   0.18969727  0.38130809  0.71639846
   0.28219856  0.22953219 -0.10749837
   0.04517273  0.12082977  0.90840630
   0.09297669  0.57024284  0.10671368
   0.35812453  0.70306584  0.28248680
   0.10251579  0.82999025  0.04544903
   0.37994871  0.94359138  0.34404182
   0.40435232  0.91152837  0.15106584
   0.16334014  0.88756863  0.23218101
   0.31125054  0.65962040  0.46756923
   0.06727092  0.65886749  0.39767105
   0.11378049  0.57494343  0.59260224
   0.32444726  0.69786409  0.76058223
   0.09824504  0.83727850  0.52285710
   0.38121550  1.00326876  0.80009604
   0.45042564  0.86708239  0.63209714
   0.18509993  0.91567310  0.68377440
   0.24114823  0.63693975 -0.04949505
  -0.01498415  0.64215124  0.94346650
   0.59508042  0.08138473  0.09700562
   0.79431817  0.23174982  0.27663331
   0.56240808  0.32208329  0.02623200
   0.91585564  0.45452481  0.35966362
   0.01500679  0.33898894  0.20045134
   0.74817311  0.43872577  0.14243065
   0.77555845  0.18148017  0.46506085
   0.53303194  0.10847736  0.42847773
   0.63610435  0.05682685  0.59867488
   0.83286482  0.20410894  0.79547664
   0.56814747  0.31127713  0.55078990
   0.83577007  0.45031061  0.85898226
   0.95619688  0.38711366  0.67246145
   0.69247925  0.40441962  0.69887250
   0.78042015  0.11938374  0.97574299
   0.53014860  0.11937517  0.91970011
   0.54035171  0.58255419  0.08300020
   0.84060104  0.71189728  0.29634199
   0.59044017  0.84819548  0.03761385
   0.84021433  0.97646684  0.35050922
   0.91164147  0.89302396  0.17156803
   0.65956577  0.88827524  0.23154886
   0.81487892  0.61424911  0.46454571
   0.56125165  0.57729848  0.37453797
   0.59820959  0.59544061  0.55875454
   0.83943318  0.69208184  0.78480798
   0.61559734  0.81786416  0.44748817
   0.88680819  0.94334812  0.84206340
   0.92659307  0.88383749  0.66315592
   0.67911042  0.90510217  0.74661380
   0.73276644  0.64235410  0.96720048
   0.48590915  0.69725430  0.90866168
   0.70847100  0.79214048  0.59640374
   0.57987919  0.86402854  0.38668497
   0.85809805  0.23043451  0.09194463
   0.97904510  0.42368562  0.30918537
   0.33542906  0.09350377  0.63113659
   0.23590500  0.75300244  0.75449603
   0.04628342  1.14799647  0.15573364
   0.26774281  1.09186977  0.02443103
   0.61147103  0.32356273  0.86056515
   0.89067790  0.34617388  0.63012995
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933779    0.563390    0.008344
    -0.000000    9.866261    0.251758
    -0.000000    0.000000   13.960149
   Si   O    H 
    32    64    10
Direct configuration=   886
   0.17217950  0.17822809 -0.03117689
   0.38023753  0.09775134  0.38818071
   0.10839240  0.40455165  0.11809543
   0.36436587  0.35509116  0.25198524
   0.10438181  0.17253822  0.48802105
   0.40594085  0.14827201  0.85413428
   0.09969077  0.41868198  0.62397904
   0.36068192  0.40102600  0.74175470
   0.11037010  0.67103726  0.00947861
   0.39389823  0.60126118  0.37234828
   0.06006762  0.91166115  0.13725621
   0.32954904  0.86218816  0.25297906
   0.14600531  0.67947622  0.50260395
   0.34982650  0.62826621  0.86663128
   0.05935993  0.93278775  0.60796964
   0.33752109  0.97058997  0.69070293
   0.62520628  0.16740259  1.00259113
   0.85694542  0.14447434  0.36958372
   0.58960989  0.42693547  0.11029570
   0.85118673  0.31105841  0.18050491
   0.61816570  0.16993113  0.50955871
   0.88880455  0.09806695  0.88124047
   0.58311094  0.44929691  0.61637447
   0.73579056  0.34262118  0.81065173
   0.58232047  0.69139275  0.00088120
   0.91199127  0.61050993  0.37669015
   0.56721567  0.92632302  0.13239330
   0.82053441  0.87133047  0.26351750
   0.65475059  0.65157114  0.45466276
   0.85896464  0.60607011  0.88742874
   0.60931696  0.89677124  0.63393952
   0.83725732  0.85384997  0.75909911
   0.05327161  0.07336757  0.10212052
   0.35345340  0.20166275  0.29604342
   0.09788554  0.32021639  0.01677720
   0.33381999  0.44895044  0.34845753
   0.50848148  0.38650777  0.20852636
   0.25513773  0.37278126  0.16119985
   0.24860513  0.10898181  0.45846186
   0.01824860  0.18356014  0.38755339
   0.03146924  0.08523497  0.56786889
   0.43594345  0.24765570  0.75818994
   0.12852076  0.32254694  0.52777907
   0.39441757  0.47131459  0.84888408
   0.43673573  0.47725733  0.66139753
   0.18931077  0.38239993  0.71609770
   0.27986379  0.23001750 -0.10572876
   0.04478514  0.11754854  0.90823603
   0.09163841  0.57209327  0.10596801
   0.35861490  0.70290531  0.28364793
   0.10123104  0.83065427  0.04548682
   0.37876268  0.94210971  0.34476209
   0.40306833  0.91375043  0.15162688
   0.16359842  0.88692469  0.23221862
   0.31186507  0.65778700  0.46766028
   0.06618323  0.65844205  0.39717760
   0.11503556  0.57732018  0.59194020
   0.32458429  0.69837406  0.75936441
   0.09936760  0.83788532  0.52332656
   0.38021863  1.00553753  0.79961438
   0.44941549  0.86687447  0.63328300
   0.18492808  0.91419443  0.68428951
   0.24070679  0.63640133 -0.04910947
  -0.01446296  0.64286180  0.94425500
   0.59637681  0.07973067  0.09813581
   0.79233284  0.23124018  0.27647852
   0.56156723  0.32081710  0.02640776
   0.91647585  0.45437774  0.36111872
   0.01550853  0.33955305  0.20124974
   0.74940679  0.43859429  0.14389627
   0.77560809  0.18173625  0.46375760
   0.53347996  0.10827853  0.42890264
   0.63518472  0.05770380  0.59810999
   0.83196961  0.20458103  0.79605415
   0.56903022  0.31256246  0.54992285
   0.83862616  0.44999917  0.85801865
   0.95449547  0.38717879  0.67297470
   0.69221195  0.40425362  0.69779408
   0.77823190  0.12065779  0.97407775
   0.53041430  0.12024896  0.92041555
   0.53950177  0.58159069  0.08320626
   0.84279280  0.71256517  0.29651311
   0.58948433  0.84843666  0.03723134
   0.83865657  0.97699571  0.34990593
   0.90900858  0.89406645  0.17069257
   0.66192182  0.88920333  0.23004733
   0.81574998  0.61247196  0.46511415
   0.56131190  0.57782869  0.37452497
   0.59867948  0.59612230  0.55756436
   0.83937894  0.69222240  0.78439824
   0.61557347  0.81770666  0.44736574
   0.88616875  0.94366087  0.84219905
   0.92577610  0.88179458  0.66331383
   0.67936250  0.90593911  0.74426222
   0.73332507  0.64241703  0.96698691
   0.48459427  0.69670550  0.90918243
   0.70627247  0.79200037  0.59326838
   0.58075272  0.86274748  0.38677920
   0.84996718  0.23677702  0.09156942
   0.98790157  0.42638180  0.30984125
   0.32804167  0.08915965  0.62854970
   0.24486551  0.74751503  0.75158230
   0.04835046  1.15512216  0.15450911
   0.26932964  1.09094512  0.02636504
   0.60678451  0.32166470  0.86651103
   0.89261703  0.34852174  0.62866928
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931140    0.564843    0.010550
    -0.000000    9.866816    0.253196
    -0.000000    0.000000   13.960074
   Si   O    H 
    32    64    10
Direct configuration=   887
   0.17081450  0.17819778 -0.03069401
   0.37990011  0.09588117  0.38838057
   0.10847468  0.40445497  0.11824649
   0.36425397  0.35536735  0.25228785
   0.10386127  0.17372449  0.48751489
   0.40660466  0.14929371  0.85421182
   0.10046981  0.41881405  0.62343809
   0.36035099  0.40010148  0.74208474
   0.10891633  0.67049267  0.00980582
   0.39320037  0.60188543  0.37259947
   0.06114260  0.91193738  0.13866024
   0.32885170  0.86235103  0.25295223
   0.14687431  0.67883022  0.50223621
   0.34902727  0.62849259  0.86680295
   0.06041379  0.93221671  0.60820271
   0.33867509  0.97128025  0.69008375
   0.62685817  0.16711990  1.00171741
   0.85751219  0.14314148  0.36868583
   0.59021187  0.42699073  0.11009239
   0.84967431  0.31051927  0.18062094
   0.61920948  0.17000460  0.50964966
   0.88820135  0.09762763  0.88194294
   0.58461307  0.44919606  0.61633009
   0.73542931  0.34411287  0.81071583
   0.58337822  0.69251542  0.00111511
   0.91214007  0.61110658  0.37643842
   0.56618312  0.92729660  0.13347357
   0.82095638  0.87158720  0.26425651
   0.65494332  0.65130010  0.45541373
   0.85795502  0.60742616  0.88774002
   0.60956218  0.89513938  0.63338076
   0.83600029  0.85415448  0.75846992
   0.05288777  0.07252647  0.10186770
   0.35123448  0.20199899  0.29618036
   0.09917502  0.32087725  0.01685834
   0.33390386  0.44862534  0.34829941
   0.50999236  0.38732510  0.20837460
   0.25603830  0.37193598  0.16145370
   0.24951765  0.10851273  0.45909328
   0.01788254  0.18345734  0.38745417
   0.03010283  0.08559991  0.56637534
   0.43513021  0.24936787  0.75938057
   0.12818813  0.32228931  0.52964710
   0.39333860  0.47297057  0.84822860
   0.43664591  0.47642056  0.66135300
   0.18966276  0.38359309  0.71584575
   0.27743460  0.23014294 -0.10421249
   0.04372951  0.11461058  0.90742227
   0.09127627  0.57461321  0.10544027
   0.35927195  0.70288595  0.28513723
   0.10050148  0.83137306  0.04456584
   0.37817602  0.94049802  0.34524330
   0.40128265  0.91532805  0.15248229
   0.16350631  0.88654677  0.23232685
   0.31235021  0.65633222  0.46772028
   0.06511329  0.65788300  0.39755861
   0.11541101  0.57940967  0.59106075
   0.32521767  0.69882555  0.75814289
   0.10113077  0.83801977  0.52352448
   0.37976096  1.00742884  0.79924269
   0.44815120  0.86671416  0.63448138
   0.18469937  0.91264651  0.68483636
   0.24043883  0.63649914 -0.04892019
  -0.01393160  0.64354657  0.94550133
   0.59810533  0.07892934  0.09908562
   0.79140298  0.23095703  0.27698546
   0.56044789  0.32029466  0.02625039
   0.91720487  0.45341224  0.36170362
   0.01510117  0.34072212  0.20183696
   0.75070168  0.43846313  0.14493786
   0.77492676  0.18251599  0.46288711
   0.53315005  0.10745102  0.42855302
   0.63431081  0.05761581  0.59760539
   0.83143661  0.20487792  0.79704982
   0.56982563  0.31322960  0.54879653
   0.84148450  0.44936327  0.85712494
   0.95277274  0.38752030  0.67281125
   0.69164663  0.40325889  0.69710812
   0.77642823  0.12168483  0.97207847
   0.53098815  0.12109315  0.92071751
   0.53821380  0.58078491  0.08347039
   0.84478204  0.71320266  0.29629518
   0.58891220  0.84827361  0.03686554
   0.83755073  0.97685585  0.34869468
   0.90709653  0.89499493  0.16984232
   0.66317333  0.89014955  0.22887242
   0.81524657  0.61090964  0.46594395
   0.56189165  0.57872298  0.37463869
   0.59972092  0.59690737  0.55623664
   0.84046557  0.69247284  0.78446582
   0.61570444  0.81735384  0.44670865
   0.88647164  0.94430758  0.84294950
   0.92529809  0.87973541  0.66313208
   0.67992195  0.90737357  0.74216561
   0.73351922  0.64258205  0.96677536
   0.48260247  0.69597848  0.91007362
   0.70045230  0.79092633  0.59193166
   0.58394520  0.85737140  0.38679217
   0.84469035  0.23587882  0.09263777
   0.98917371  0.42876499  0.31588580
   0.32145342  0.08463737  0.62724248
   0.23679879  0.75130005  0.74726378
   0.05148083  1.15077048  0.14595856
   0.26764366  1.08969329  0.02987509
   0.60650911  0.31708762  0.87033006
   0.88986110  0.35094440  0.62715338
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928384    0.566024    0.012349
    -0.000000    9.867088    0.254211
    -0.000000    0.000000   13.959863
   Si   O    H 
    32    64    10
Direct configuration=   888
   0.16929902  0.17813115 -0.03036426
   0.37957241  0.09424160  0.38860403
   0.10802888  0.40442272  0.11824349
   0.36369218  0.35563171  0.25267391
   0.10413568  0.17487601  0.48662453
   0.40705632  0.15073255  0.85401348
   0.10087470  0.41937311  0.62267506
   0.35974334  0.39935464  0.74273621
   0.10715454  0.67099171  0.01056624
   0.39181897  0.60137470  0.37269120
   0.06198250  0.91224134  0.14023513
   0.32868867  0.86246188  0.25297494
   0.14762198  0.67780445  0.50143630
   0.34895434  0.62957945  0.86706785
   0.06103518  0.93163610  0.60846941
   0.33945059  0.97218766  0.68943695
   0.62882856  0.16701476  1.00122585
   0.85809553  0.14183003  0.36784335
   0.59084403  0.42659235  0.10969728
   0.84874318  0.31021020  0.18100452
   0.62084507  0.17003149  0.51002976
   0.88767146  0.09724305  0.88236904
   0.58528685  0.44900323  0.61583583
   0.73526910  0.34571828  0.81039207
   0.58450607  0.69278409  0.00052886
   0.91278969  0.61150652  0.37601889
   0.56509494  0.92925769  0.13439344
   0.82102717  0.87191152  0.26482921
   0.65499595  0.65082971  0.45607533
   0.85691615  0.60888101  0.88791557
   0.60945556  0.89391607  0.63319401
   0.83531745  0.85439179  0.75801611
   0.05207442  0.07253212  0.10231723
   0.34900213  0.20182110  0.29655513
   0.10096534  0.32144711  0.01730697
   0.33370995  0.44875435  0.34847337
   0.51148399  0.38741829  0.20867881
   0.25701734  0.37137685  0.16175247
   0.25062460  0.10864017  0.45970803
   0.01636092  0.18312723  0.38795334
   0.02880801  0.08551390  0.56509534
   0.43419261  0.25081543  0.76021544
   0.12817342  0.32126456  0.53166830
   0.39208040  0.47336676  0.84763768
   0.43545851  0.47574016  0.66103775
   0.19080205  0.38517523  0.71536810
   0.27634219  0.23047893 -0.10260084
   0.04365331  0.11195825  0.90655100
   0.09173601  0.57769682  0.10424527
   0.35984770  0.70368545  0.28619731
   0.10007024  0.83071578  0.04353290
   0.37885749  0.93946101  0.34582233
   0.40015496  0.91720730  0.15376765
   0.16322082  0.88581192  0.23216986
   0.31223478  0.65399648  0.46804568
   0.06474518  0.65677505  0.39860896
   0.11572049  0.58081433  0.59065637
   0.32425551  0.69954413  0.75722777
   0.10347820  0.83818788  0.52369957
   0.37925804  1.00865023  0.79905104
   0.44776390  0.86665454  0.63540220
   0.18458678  0.91075115  0.68566003
   0.24091367  0.63648080 -0.04871229
  -0.01265726  0.64411933  0.94677301
   0.60001431  0.07822035  0.10041632
   0.79087715  0.23019111  0.27803571
   0.55921083  0.31914712  0.02634270
   0.91806533  0.45250504  0.36216104
   0.01436980  0.34203781  0.20253509
   0.75202352  0.43874921  0.14578264
   0.77410692  0.18343993  0.46230179
   0.53245838  0.10631723  0.42809543
   0.63352162  0.05775529  0.59762774
   0.82960947  0.20450576  0.79815333
   0.57083760  0.31439034  0.54804695
   0.84386204  0.44899337  0.85673750
   0.95195659  0.38815261  0.67290475
   0.69078676  0.40169807  0.69689678
   0.77542890  0.12253106  0.96957873
   0.53194038  0.12135781  0.92031394
   0.53689493  0.58012870  0.08260475
   0.84721414  0.71385888  0.29605543
   0.58835314  0.84747200  0.03722482
   0.83698313  0.97684760  0.34772839
   0.90513923  0.89533824  0.16887000
   0.66430576  0.89105286  0.22756394
   0.81459162  0.61123060  0.46700664
   0.56185637  0.57990737  0.37468313
   0.60124994  0.59686794  0.55517732
   0.84112128  0.69230830  0.78478838
   0.61512474  0.81645389  0.44590252
   0.88724040  0.94501808  0.84429744
   0.92496140  0.87816371  0.66301461
   0.67960957  0.90921312  0.74002311
   0.73374201  0.64292554  0.96663152
   0.48041277  0.69519438  0.91118094
   0.69756772  0.79077048  0.58896920
   0.58505891  0.85233790  0.38618424
   0.83963701  0.23339989  0.09246621
   0.98948142  0.42900688  0.32152993
   0.31531748  0.08603200  0.62495387
   0.23157547  0.75033450  0.74559615
   0.05530717  1.14294598  0.13866587
   0.26503197  1.09055031  0.03095419
   0.61071555  0.31540626  0.87268128
   0.88763237  0.35443460  0.62637500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925694    0.567350    0.014621
    -0.000000    9.867376    0.255194
    -0.000000    0.000000   13.959437
   Si   O    H 
    32    64    10
Direct configuration=   889
   0.16779800  0.17852388 -0.02988555
   0.37973002  0.09326852  0.38838853
   0.10759057  0.40465111  0.11815476
   0.36320186  0.35591479  0.25362434
   0.10456350  0.17610739  0.48550883
   0.40756736  0.15235582  0.85367508
   0.10163581  0.41910570  0.62204948
   0.35921063  0.39805972  0.74325818
   0.10573588  0.67148972  0.01104515
   0.39021459  0.60074063  0.37309802
   0.06306901  0.91256030  0.14142233
   0.32796075  0.86269963  0.25319516
   0.14821515  0.67731130  0.50032641
   0.34893596  0.63038986  0.86772191
   0.06151611  0.93090729  0.60873939
   0.33996523  0.97308844  0.68916267
   0.63044028  0.16687166  1.00099630
   0.85851590  0.14092454  0.36683420
   0.59106863  0.42614751  0.10930522
   0.84793758  0.31062761  0.18193439
   0.62213044  0.17008787  0.51051097
   0.88675887  0.09745503  0.88289067
   0.58537263  0.44879379  0.61499251
   0.73483893  0.34705616  0.80990533
   0.58529584  0.69289645 -0.00023232
   0.91378308  0.61232861  0.37563198
   0.56462047  0.93150183  0.13537551
   0.82033889  0.87242207  0.26517258
   0.65479112  0.65018473  0.45690877
   0.85515783  0.61027646  0.88804808
   0.60884153  0.89259311  0.63310843
   0.83429618  0.85497728  0.75733832
   0.05112841  0.07062246  0.10134485
   0.34766525  0.20118336  0.29637894
   0.10286616  0.32218509  0.01746999
   0.33327811  0.44916809  0.34861030
   0.51255400  0.38743801  0.20912993
   0.25880453  0.37106213  0.16181837
   0.25227635  0.10800994  0.46059778
   0.01457099  0.18250865  0.38830605
   0.02705140  0.08516661  0.56427792
   0.43308703  0.25145655  0.76073495
   0.12795023  0.31917571  0.53373907
   0.39128767  0.47319323  0.84663121
   0.43414950  0.47565416  0.66077578
   0.19277714  0.38723876  0.71552509
   0.27641933  0.23061101 -0.10143400
   0.04438360  0.11074633  0.90544255
   0.09280784  0.57927667  0.10353540
   0.36010105  0.70503699  0.28690779
   0.09919824  0.83007324  0.04281862
   0.37899949  0.93869099  0.34607450
   0.39940978  0.91871798  0.15550060
   0.16308589  0.88551211  0.23174019
   0.31224375  0.65217276  0.46850018
   0.06428853  0.65536392  0.39989423
   0.11614027  0.58191464  0.59022271
   0.32303740  0.70060438  0.75685493
   0.10659633  0.83794589  0.52358278
   0.37871441  1.00937427  0.79874927
   0.44763460  0.86714800  0.63610570
   0.18443298  0.90891268  0.68659142
   0.24102726  0.63630770 -0.04827162
  -0.01181540  0.64534321  0.94718765
   0.60219468  0.07811526  0.10181304
   0.79060749  0.22972077  0.27890934
   0.55795408  0.31817564  0.02612542
   0.91879486  0.45053735  0.36246455
   0.01291249  0.34334836  0.20271180
   0.75327344  0.43846521  0.14631407
   0.77354616  0.18530880  0.46247631
   0.53088859  0.10520884  0.42783329
   0.63255881  0.05839409  0.59724515
   0.82766013  0.20523963  0.79858122
   0.57137578  0.31578906  0.54782366
   0.84630540  0.44811927  0.85679928
   0.95187897  0.38968317  0.67246396
   0.69057437  0.40073251  0.69728362
   0.77588374  0.12239316  0.96768742
   0.53233367  0.12190606  0.91991038
   0.53585063  0.58088754  0.08121193
   0.84948128  0.71544965  0.29563811
   0.58732976  0.84652031  0.03729002
   0.83762327  0.97777110  0.34699588
   0.90377294  0.89534276  0.16738732
   0.66496826  0.89158420  0.22630934
   0.81362541  0.61181617  0.46801908
   0.56118954  0.58082711  0.37510656
   0.60208993  0.59550878  0.55550478
   0.84192581  0.69188859  0.78563085
   0.61506118  0.81514689  0.44520096
   0.88842395  0.94556744  0.84549253
   0.92523429  0.87688253  0.66327412
   0.67852813  0.91081803  0.73770756
   0.73340971  0.64278899  0.96645054
   0.47834109  0.69418305  0.91164351
   0.70198370  0.78983726  0.58676084
   0.58312305  0.85231385  0.37854702
   0.84103578  0.22544091  0.09474353
   1.00032826  0.42584372  0.32131158
   0.31031951  0.09254062  0.62317711
   0.23329973  0.74428236  0.74459154
   0.05818146  1.15276411  0.14213446
   0.26043914  1.09293068  0.03046485
   0.62080547  0.32112593  0.87263046
   0.88678270  0.35867805  0.62821301
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923303    0.568914    0.016618
    -0.000000    9.867524    0.256121
    -0.000000    0.000000   13.959252
   Si   O    H 
    32    64    10
Direct configuration=   890
   0.16655289  0.17877779 -0.02965288
   0.38011366  0.09250415  0.38780354
   0.10768394  0.40476036  0.11762454
   0.36263074  0.35640315  0.25444371
   0.10539478  0.17673655  0.48454019
   0.40792890  0.15379369  0.85330036
   0.10169677  0.41931748  0.62131807
   0.35816570  0.39728707  0.74398633
   0.10544755  0.67224084  0.01149824
   0.38916573  0.60003941  0.37371999
   0.06392347  0.91275375  0.14231093
   0.32702947  0.86319162  0.25298870
   0.14833725  0.67713850  0.49902942
   0.34890154  0.63098420  0.86813159
   0.06215164  0.92977429  0.60918268
   0.33977344  0.97442996  0.68841099
   0.63190364  0.16670494  1.00144515
   0.85985199  0.13960899  0.36579603
   0.59035447  0.42578445  0.10957332
   0.84702331  0.30993978  0.18273534
   0.62359716  0.17013878  0.51077597
   0.88609311  0.09809799  0.88341185
   0.58533992  0.44840043  0.61420616
   0.73476422  0.34804696  0.80944353
   0.58575950  0.69265243 -0.00125936
   0.91457298  0.61272700  0.37529090
   0.56369723  0.93334765  0.13605861
   0.81994806  0.87327043  0.26541363
   0.65431030  0.64995763  0.45770947
   0.85316809  0.61124090  0.88801347
   0.60852507  0.89153811  0.63309777
   0.83396343  0.85518274  0.75661304
   0.04962315  0.06992333  0.10034273
   0.34717910  0.20077629  0.29637445
   0.10440833  0.32353733  0.01732691
   0.33312082  0.44889973  0.34859583
   0.51369018  0.38733127  0.20948042
   0.26085230  0.37098043  0.16188038
   0.25413440  0.10777212  0.46069031
   0.01309358  0.18175175  0.38894717
   0.02554404  0.08439077  0.56337886
   0.43256085  0.25195151  0.76064922
   0.12845179  0.31725356  0.53555671
   0.39033749  0.47228731  0.84571108
   0.43295991  0.47623806  0.66012715
   0.19477108  0.38942454  0.71540703
   0.27647072  0.23085037 -0.10042384
   0.04597624  0.11009096  0.90433618
   0.09383141  0.57921926  0.10295506
   0.36067393  0.70690546  0.28747711
   0.09832993  0.82964377  0.04233946
   0.37863661  0.93852651  0.34614960
   0.39931857  0.91990944  0.15739345
   0.16362039  0.88537625  0.23115292
   0.31165418  0.65018609  0.46859815
   0.06374761  0.65390976  0.40097864
   0.11650904  0.58283438  0.58971302
   0.32148911  0.70127349  0.75685933
   0.10979938  0.83647087  0.52303259
   0.37858288  1.01047746  0.79940852
   0.44805977  0.86805547  0.63677102
   0.18352199  0.90733880  0.68750725
   0.23978773  0.63728730 -0.04752567
  -0.01199981  0.64585971  0.94647322
   0.60420444  0.07891792  0.10269062
   0.79007302  0.23082294  0.27902399
   0.55678456  0.31733339  0.02586224
   0.91967334  0.44850486  0.36218608
   0.01082692  0.34416958  0.20305385
   0.75428134  0.43842600  0.14656022
   0.77302159  0.18730110  0.46221543
   0.52969952  0.10338533  0.42746102
   0.63119748  0.05860119  0.59595239
   0.82562776  0.20586371  0.79919788
   0.57164037  0.31687750  0.54793352
   0.84900575  0.44825112  0.85715920
   0.95229722  0.39056301  0.67183848
   0.69122927  0.40019656  0.69806071
   0.77664028  0.12231779  0.96564030
   0.53235696  0.12170080  0.91912265
   0.53478089  0.58234771  0.08037539
   0.85197256  0.71626836  0.29504832
   0.58524750  0.84547251  0.03743757
   0.83791510  0.97912715  0.34679946
   0.90245972  0.89512676  0.16582673
   0.66446138  0.89181879  0.22451422
   0.81256680  0.61264778  0.46913837
   0.56013752  0.58127290  0.37561003
   0.60278880  0.59379531  0.55649782
   0.84221030  0.69186582  0.78654949
   0.61504691  0.81369864  0.44437573
   0.88933284  0.94589330  0.84677220
   0.92672896  0.87587236  0.66310021
   0.67779681  0.91148938  0.73601931
   0.73300658  0.64230339  0.96589432
   0.47718256  0.69332172  0.91190943
   0.70204504  0.79407530  0.58631771
   0.58199587  0.85357527  0.37426078
   0.84726021  0.21780350  0.10022307
   1.00456136  0.41978920  0.32359715
   0.31124563  0.10084526  0.62117800
   0.23295372  0.73661221  0.74373095
   0.05841803  1.15605439  0.14672841
   0.25853616  1.09117057  0.03110151
   0.62555006  0.32898673  0.87329583
   0.88464723  0.36282725  0.63048768
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920639    0.571138    0.018185
    -0.000000    9.867731    0.257047
    -0.000000    0.000000   13.958907
   Si   O    H 
    32    64    10
Direct configuration=   891
   0.16487530  0.17883193 -0.02950854
   0.38085057  0.09228596  0.38734051
   0.10762153  0.40438715  0.11729179
   0.36220199  0.35691591  0.25466760
   0.10589675  0.17782057  0.48369804
   0.40718842  0.15466415  0.85281255
   0.10144727  0.41996728  0.62084076
   0.35683621  0.39715724  0.74469517
   0.10513941  0.67385307  0.01188041
   0.38901913  0.59877161  0.37422043
   0.06454531  0.91316908  0.14259020
   0.32614597  0.86333164  0.25285856
   0.14891461  0.67720937  0.49742552
   0.34896873  0.63117875  0.86841877
   0.06283793  0.92902897  0.60949435
   0.33949297  0.97597674  0.68771357
   0.63296997  0.16618979  1.00165688
   0.86085905  0.13969803  0.36498753
   0.58985818  0.42562641  0.11002459
   0.84652101  0.30881807  0.18356842
   0.62537694  0.16997226  0.51122453
   0.88544269  0.09878526  0.88343072
   0.58504571  0.44857169  0.61355193
   0.73538852  0.34940242  0.80855163
   0.58569403  0.69283064 -0.00206963
   0.91509487  0.61279495  0.37522549
   0.56318837  0.93407368  0.13682108
   0.81977575  0.87341668  0.26524157
   0.65375343  0.64995431  0.45813142
   0.85119196  0.61182990  0.88783518
   0.60866836  0.89119892  0.63266504
   0.83315845  0.85574777  0.75631098
   0.04811392  0.07037000  0.09976104
   0.34656215  0.20082967  0.29630182
   0.10600772  0.32531254  0.01727186
   0.33314732  0.44873629  0.34858163
   0.51463652  0.38724425  0.20976228
   0.26209497  0.36996007  0.16274973
   0.25553950  0.10840671  0.46049709
   0.01160653  0.18086053  0.38915145
   0.02457604  0.08402018  0.56312651
   0.43224178  0.25205737  0.76036998
   0.12915784  0.31590941  0.53638251
   0.39043223  0.47153651  0.84504408
   0.43188220  0.47654484  0.65910629
   0.19701048  0.39170808  0.71589694
   0.27652814  0.23185006 -0.09937655
   0.04725528  0.11080177  0.90321513
   0.09483147  0.57842786  0.10319996
   0.36106299  0.70892954  0.28833994
   0.09698858  0.82922787  0.04263908
   0.37800261  0.93882686  0.34623523
   0.40035496  0.92082341  0.15838791
   0.16444159  0.88441011  0.23116629
   0.31091431  0.64857193  0.46908656
   0.06309366  0.65233705  0.40282189
   0.11695612  0.58339819  0.58948566
   0.31985963  0.70097984  0.75779687
   0.11377461  0.83532680  0.52188805
   0.37829714  1.01168031  0.79980197
   0.44890597  0.86900326  0.63759999
   0.18253269  0.90652158  0.68770825
   0.23904510  0.63819596 -0.04682502
  -0.01338061  0.64642546  0.94504346
   0.60622183  0.08115222  0.10362013
   0.79012082  0.23268057  0.27890565
   0.55652978  0.31725148  0.02615027
   0.92050773  0.44663777  0.36161314
   0.00892992  0.34531448  0.20323689
   0.75479291  0.43865332  0.14642738
   0.77316309  0.18964187  0.46197120
   0.52963295  0.10283368  0.42737076
   0.63003754  0.05779247  0.59467273
   0.82377157  0.20631385  0.80030583
   0.57182277  0.31788078  0.54814943
   0.85151195  0.44878634  0.85689261
   0.95318550  0.39127226  0.67122177
   0.69165747  0.39975918  0.69904975
   0.77729070  0.12291840  0.96377585
   0.53247476  0.12172827  0.91904209
   0.53415278  0.58327780  0.07948816
   0.85370870  0.71745223  0.29446797
   0.58401967  0.84481854  0.03686773
   0.83811817  0.98069009  0.34650462
   0.90060403  0.89470014  0.16429485
   0.66378953  0.89183796  0.22335153
   0.81139037  0.61296935  0.47080074
   0.55856700  0.58132661  0.37658896
   0.60339684  0.59191927  0.55774227
   0.84235703  0.69225579  0.78713512
   0.61519210  0.81291316  0.44278228
   0.88992938  0.94624187  0.84769625
   0.92783603  0.87466764  0.66321611
   0.67745666  0.91219156  0.73426630
   0.73267018  0.64253552  0.96506818
   0.47658726  0.69215815  0.91188915
   0.70134404  0.79653951  0.58523483
   0.58725605  0.84759129  0.37897163
   0.85622850  0.21321417  0.10556127
   0.99960135  0.41170166  0.32785088
   0.31745227  0.10711335  0.62196798
   0.22496419  0.73370149  0.74142445
   0.05750019  1.14650077  0.14593899
   0.25873810  1.08434070  0.03393799
   0.62597387  0.33598168  0.87385084
   0.87966055  0.36167745  0.63309796
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917754    0.573781    0.019860
    -0.000000    9.867960    0.258067
    -0.000000    0.000000   13.958297
   Si   O    H 
    32    64    10
Direct configuration=   892
   0.16374228  0.17838123 -0.02902478
   0.38161535  0.09243931  0.38675894
   0.10725917  0.40409474  0.11722794
   0.36147958  0.35715362  0.25488347
   0.10667986  0.17827593  0.48309087
   0.40622813  0.15544686  0.85212286
   0.10113685  0.42048404  0.62070928
   0.35616222  0.39762619  0.74553618
   0.10525353  0.67552972  0.01211057
   0.38908050  0.59780927  0.37430416
   0.06427300  0.91401947  0.14259425
   0.32548430  0.86314547  0.25291379
   0.14926532  0.67807050  0.49615723
   0.34888207  0.63109267  0.86866440
   0.06316763  0.92867730  0.61006311
   0.33923006  0.97755873  0.68668605
   0.63337313  0.16498216  1.00213753
   0.86201962  0.13998065  0.36446085
   0.58935412  0.42526843  0.11081844
   0.84608625  0.30794872  0.18449998
   0.62696963  0.16956385  0.51131435
   0.88507403  0.09943332  0.88258579
   0.58397576  0.44892872  0.61317083
   0.73637452  0.35046391  0.80790423
   0.58521620  0.69239860 -0.00263691
   0.91548262  0.61247049  0.37534751
   0.56275779  0.93423547  0.13702143
   0.81939504  0.87352839  0.26476027
   0.65364697  0.64968024  0.45848960
   0.84962929  0.61148740  0.88782313
   0.60865422  0.89109974  0.63191521
   0.83148546  0.85692516  0.75616061
   0.04728954  0.07082775  0.09904777
   0.34584683  0.20063143  0.29582991
   0.10743941  0.32748056  0.01692935
   0.33291830  0.44922538  0.34849724
   0.51581610  0.38769428  0.21008232
   0.26334287  0.36908976  0.16363100
   0.25675416  0.10923218  0.46004536
   0.01022087  0.18005202  0.38896396
   0.02419032  0.08335984  0.56314149
   0.43183455  0.25157895  0.76020006
   0.13051556  0.31445327  0.53721182
   0.38973165  0.47054914  0.84441433
   0.43128889  0.47624450  0.65763811
   0.19877164  0.39406222  0.71678101
   0.27698475  0.23168968 -0.09833307
   0.04960004  0.11185670  0.90279950
   0.09516053  0.57634437  0.10364833
   0.36103909  0.71117135  0.28921584
   0.09545741  0.82998546  0.04365144
   0.37776968  0.93869454  0.34703157
   0.40106581  0.92080361  0.15971067
   0.16592723  0.88359702  0.23134332
   0.31072575  0.64769973  0.46981777
   0.06350944  0.65096991  0.40432082
   0.11798715  0.58362205  0.58940191
   0.31740934  0.70025602  0.75890230
   0.11758777  0.83449792  0.52078643
   0.37860309  1.01265182  0.80024097
   0.44895463  0.86994359  0.63817156
   0.18277183  0.90610295  0.68825671
   0.23823779  0.63869858 -0.04624966
  -0.01502205  0.64632303  0.94297352
   0.60833073  0.08369911  0.10396376
   0.78981172  0.23390878  0.27860320
   0.55724559  0.31763755  0.02709929
   0.92089368  0.44480246  0.36116912
   0.00731523  0.34656609  0.20361426
   0.75461560  0.43933313  0.14602995
   0.77253658  0.19264507  0.46157504
   0.52985293  0.10286043  0.42774202
   0.62930042  0.05590341  0.59367846
   0.82152520  0.20583649  0.80162889
   0.57211123  0.31811795  0.54861800
   0.85387571  0.44959358  0.85661107
   0.95457228  0.39170559  0.67084394
   0.69227082  0.39991096  0.69985854
   0.77802129  0.12296947  0.96264797
   0.53168791  0.12167076  0.91903493
   0.53270396  0.58400940  0.07818822
   0.85560834  0.71820299  0.29424877
   0.58255929  0.84481292  0.03606964
   0.83863644  0.98247395  0.34701712
   0.89967653  0.89357831  0.16313889
   0.66307218  0.89107342  0.22258670
   0.81092863  0.61287990  0.47260277
   0.55705575  0.58148860  0.37809712
   0.60440511  0.59037249  0.55951660
   0.84248236  0.69333640  0.78721997
   0.61568015  0.81228138  0.44093279
   0.89033462  0.94655084  0.84821739
   0.92925107  0.87365018  0.66325587
   0.67753416  0.91191607  0.73300707
   0.73183557  0.64238990  0.96503327
   0.47671504  0.69169188  0.91214619
   0.69816808  0.79881416  0.58814693
   0.59170242  0.84761135  0.38371187
   0.86239014  0.20552606  0.11014497
   0.99612198  0.40297899  0.32846451
   0.32420139  0.10698875  0.62520710
   0.22006612  0.72951279  0.74045412
   0.05342032  1.13338069  0.14643241
   0.25571204  1.07951293  0.03163977
   0.62353090  0.34417027  0.87324186
   0.87401673  0.35909980  0.63402360
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915744    0.575960    0.021628
    -0.000000    9.867610    0.258941
    -0.000000    0.000000   13.957370
   Si   O    H 
    32    64    10
Direct configuration=   893
   0.16259365  0.17753811 -0.02869045
   0.38276672  0.09256821  0.38627285
   0.10684504  0.40443287  0.11670511
   0.36013392  0.35732752  0.25490928
   0.10723390  0.17850618  0.48305811
   0.40541059  0.15567254  0.85171164
   0.10076487  0.42096430  0.62050358
   0.35462080  0.39869034  0.74626685
   0.10522618  0.67751008  0.01256349
   0.38889203  0.59699711  0.37399962
   0.06433999  0.91490176  0.14257303
   0.32480260  0.86324980  0.25307448
   0.15001393  0.67897211  0.49511281
   0.34930968  0.63100426  0.86883690
   0.06332373  0.92869503  0.61119020
   0.33835639  0.97915690  0.68575149
   0.63343610  0.16311921  1.00265817
   0.86279292  0.14019009  0.36404366
   0.58882721  0.42544960  0.11115800
   0.84578099  0.30758846  0.18498731
   0.62831655  0.16974333  0.51120547
   0.88539527  0.10032651  0.88167972
   0.58203907  0.44914459  0.61274681
   0.73700058  0.35196248  0.80750739
   0.58429954  0.69211341 -0.00288814
   0.91544259  0.61199206  0.37542473
   0.56281190  0.93451485  0.13699173
   0.81914173  0.87345555  0.26368025
   0.65321193  0.64925013  0.45937767
   0.84836913  0.61060682  0.88751695
   0.60916685  0.89214129  0.63145220
   0.83059352  0.85845917  0.75589259
   0.04691393  0.07029227  0.09801359
   0.34540473  0.19970415  0.29534275
   0.10858299  0.32926389  0.01598603
   0.33285436  0.44986747  0.34832625
   0.51667588  0.38790371  0.21134970
   0.26298326  0.36812351  0.16433583
   0.25649263  0.11028669  0.46050252
   0.00896104  0.17971091  0.38916760
   0.02346743  0.08240126  0.56326607
   0.43218027  0.25114752  0.76001785
   0.13316892  0.31336183  0.53789927
   0.38917413  0.47001788  0.84476481
   0.43035449  0.47523789  0.65623147
   0.19970186  0.39588945  0.71702020
   0.27733871  0.23225746 -0.09788411
   0.05125811  0.11309895  0.90255561
   0.09526251  0.57364456  0.10427618
   0.36136511  0.71241944  0.28932378
   0.09493849  0.83143434  0.04540209
   0.37805733  0.93908090  0.34769984
   0.40319728  0.92095305  0.16112127
   0.16741090  0.88294069  0.23094271
   0.30958856  0.64651522  0.47064109
   0.06393276  0.64927230  0.40557477
   0.11908443  0.58369020  0.58919769
   0.31411439  0.69906478  0.76046182
   0.12043023  0.83393376  0.51980111
   0.37908296  1.01379386  0.80036298
   0.44891432  0.87111932  0.63830366
   0.18351635  0.90650045  0.68857526
   0.23848834  0.63851162 -0.04598482
  -0.01682810  0.64633037  0.94095461
   0.61041356  0.08580840  0.10416925
   0.78916005  0.23463450  0.27859440
   0.55858698  0.31731684  0.02825075
   0.92087985  0.44443960  0.36093984
   0.00638676  0.34819144  0.20368675
   0.75393285  0.44054832  0.14555612
   0.77223835  0.19459257  0.46071345
   0.53035454  0.10326375  0.42830745
   0.62824542  0.05424943  0.59263710
   0.81962960  0.20512583  0.80233469
   0.57271658  0.31832216  0.54894064
   0.85509459  0.45030608  0.85607566
   0.95605969  0.39128081  0.66965263
   0.69254230  0.39975050  0.70017645
   0.77814744  0.12338383  0.96225656
   0.53091198  0.12181681  0.91961109
   0.53102535  0.58375010  0.07734117
   0.85752170  0.71854252  0.29374204
   0.58209154  0.84452360  0.03564458
   0.83881012  0.98401923  0.34729331
   0.90010000  0.89282363  0.16228904
   0.66245276  0.89036192  0.22219630
   0.81161460  0.61238531  0.47362679
   0.55556386  0.58116732  0.37978937
   0.60529168  0.58930482  0.56089734
   0.84345283  0.69554555  0.78667901
   0.61669205  0.81154898  0.44017456
   0.88998152  0.94676822  0.84876394
   0.93056338  0.87244694  0.66327508
   0.67825046  0.91146605  0.73261874
   0.73174232  0.64284190  0.96456781
   0.47679471  0.69213617  0.91290651
   0.69826881  0.80046412  0.59026492
   0.58965400  0.85286033  0.37707752
   0.86689529  0.20238340  0.11377783
   0.99811638  0.39714827  0.32791841
   0.33257760  0.10555933  0.62967737
   0.22503701  0.72545878  0.74179424
   0.05135704  1.13128418  0.15094953
   0.25178975  1.07854353  0.02737454
   0.62179203  0.35330863  0.87167297
   0.87670775  0.35849506  0.63741512
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913286    0.577560    0.023060
    -0.000000    9.867192    0.260255
    -0.000000    0.000000   13.956585
   Si   O    H 
    32    64    10
Direct configuration=   894
   0.16140856  0.17729235 -0.02863962
   0.38351777  0.09310521  0.38548506
   0.10660731  0.40453869  0.11619216
   0.35913521  0.35687334  0.25480358
   0.10717498  0.17870480  0.48327690
   0.40462353  0.15584419  0.85128740
   0.10051521  0.42159993  0.62050029
   0.35304138  0.39984422  0.74710497
   0.10604355  0.67921432  0.01284143
   0.38885831  0.59561807  0.37384576
   0.06505292  0.91569067  0.14223770
   0.32528000  0.86347598  0.25364152
   0.15086198  0.67967176  0.49476193
   0.34951212  0.63064368  0.86899593
   0.06343806  0.92872400  0.61151880
   0.33751259  0.98025830  0.68503026
   0.63361277  0.16160288  1.00321370
   0.86273456  0.14051956  0.36374166
   0.58879417  0.42702350  0.11204555
   0.84592147  0.30744794  0.18519384
   0.62888238  0.17019652  0.51082249
   0.88545174  0.10097812  0.88052382
   0.58029355  0.44995225  0.61243680
   0.73766269  0.35397356  0.80744106
   0.58297769  0.69200577 -0.00314429
   0.91505315  0.61038889  0.37548027
   0.56264339  0.93461476  0.13680486
   0.81942828  0.87294279  0.26238086
   0.65376207  0.64903699  0.45976902
   0.84691517  0.60977428  0.88718836
   0.60913401  0.89335440  0.63076884
   0.83054499  0.85974830  0.75578318
   0.04695507  0.06913648  0.09747641
   0.34537067  0.19891614  0.29498424
   0.10885315  0.33000053  0.01503063
   0.33285257  0.45041440  0.34856521
   0.51766414  0.38784412  0.21276604
   0.26282330  0.36751248  0.16459106
   0.25575866  0.11106237  0.46097237
   0.00873424  0.17935857  0.38955526
   0.02331037  0.08107026  0.56298337
   0.43273004  0.25146443  0.75994801
   0.13512358  0.31176066  0.53791256
   0.38859112  0.46955893  0.84489150
   0.42928034  0.47461490  0.65492150
   0.19971433  0.39780845  0.71689583
   0.27746580  0.23280472 -0.09757120
   0.05272550  0.11457095  0.90221862
   0.09509842  0.57117037  0.10526116
   0.36160337  0.71293064  0.28964884
   0.09457888  0.83324746  0.04710938
   0.37744603  0.93873585  0.34860533
   0.40542355  0.92201687  0.16243225
   0.16859206  0.88181139  0.23001107
   0.30952691  0.64704978  0.47136106
   0.06397088  0.64778797  0.40716519
   0.12141747  0.58311386  0.58909568
   0.31170413  0.69812282  0.76203568
   0.12214446  0.83463710  0.51931731
   0.37887511  1.01457826  0.80049694
   0.44948572  0.87213647  0.63799874
   0.18531175  0.90706621  0.68918229
   0.23876968  0.63827906 -0.04580427
  -0.01808081  0.64593606  0.93900520
   0.61222255  0.08715277  0.10404835
   0.78895114  0.23593138  0.27805967
   0.56033010  0.31769138  0.02928127
   0.92118987  0.44436423  0.36059686
   0.00578292  0.34964457  0.20343872
   0.75339167  0.44115292  0.14483999
   0.77260882  0.19505632  0.46005207
   0.53076849  0.10374165  0.42893902
   0.62735843  0.05135693  0.59242179
   0.81796230  0.20447605  0.80253129
   0.57240140  0.31934983  0.54942387
   0.85649480  0.45089511  0.85536408
   0.95741832  0.39045297  0.66877137
   0.69220602  0.40015085  0.69991943
   0.77865184  0.12353353  0.96203406
   0.52930565  0.12186811  0.92026197
   0.52975858  0.58300527  0.07682251
   0.85947898  0.71916904  0.29298823
   0.58148582  0.84472063  0.03585091
   0.83837000  0.98492124  0.34837667
   0.90171491  0.89178086  0.16168211
   0.66246790  0.88961955  0.22192263
   0.81253537  0.61189856  0.47425369
   0.55440892  0.58198935  0.38164828
   0.60557292  0.58796865  0.56211965
   0.84505432  0.69745196  0.78656896
   0.61794430  0.81100736  0.43959792
   0.88996527  0.94609245  0.84922394
   0.93263761  0.87098519  0.66272029
   0.67920267  0.91113751  0.73263377
   0.73163279  0.64401069  0.96433478
   0.47643021  0.69334862  0.91421973
   0.69909026  0.80274824  0.58936331
   0.59017882  0.85494048  0.37333589
   0.87077860  0.20237841  0.11633350
   0.99994808  0.39247790  0.32594019
   0.33935770  0.10474611  0.63231910
   0.22376942  0.72547419  0.74290075
   0.04652691  1.13407217  0.15659068
   0.24889115  1.08070297  0.02256041
   0.62089376  0.36080819  0.86986911
   0.88247346  0.35899624  0.64071239
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910618    0.579360    0.024508
    -0.000000    9.866518    0.261680
    -0.000000    0.000000   13.955734
   Si   O    H 
    32    64    10
Direct configuration=   895
   0.16022870  0.17725273 -0.02894849
   0.38399823  0.09349670  0.38462272
   0.10685968  0.40455506  0.11549143
   0.35841143  0.35615677  0.25454804
   0.10732758  0.17859892  0.48371658
   0.40357028  0.15598858  0.85074454
   0.10029045  0.42335573  0.62039356
   0.35135364  0.40132338  0.74769001
   0.10609479  0.68046941  0.01337592
   0.38909533  0.59498014  0.37344758
   0.06530034  0.91668398  0.14176397
   0.32541937  0.86361377  0.25444734
   0.15206646  0.67979784  0.49474960
   0.34959902  0.63029587  0.86945600
   0.06392769  0.92899365  0.61160105
   0.33676541  0.98076007  0.68444932
   0.63320409  0.16097922  1.00354989
   0.86196075  0.14119267  0.36375744
   0.58836807  0.42833318  0.11291209
   0.84646993  0.30749387  0.18513707
   0.62939237  0.16978598  0.51052518
   0.88586423  0.10131806  0.87901051
   0.57910510  0.45050056  0.61214376
   0.73876601  0.35619045  0.80727329
   0.58151107  0.69194129 -0.00295814
   0.91451521  0.60803445  0.37598775
   0.56274591  0.93464063  0.13574053
   0.81951367  0.87222873  0.26041529
   0.65475035  0.64792671  0.46026361
   0.84572174  0.60897867  0.88690289
   0.60930603  0.89506525  0.63002895
   0.83075873  0.86121789  0.75608119
   0.04748235  0.06912933  0.09800122
   0.34476077  0.19885297  0.29434971
   0.10893708  0.33030226  0.01451070
   0.33304704  0.45119696  0.34831036
   0.51835036  0.38739413  0.21420812
   0.26224483  0.36741577  0.16449078
   0.25539875  0.11212424  0.46162145
   0.00950525  0.17865141  0.38963490
   0.02354529  0.07988060  0.56251612
   0.43395328  0.25247678  0.75948104
   0.13685047  0.31033217  0.53761053
   0.38909518  0.46873210  0.84515151
   0.42764629  0.47409046  0.65361367
   0.19887870  0.40009296  0.71666170
   0.27769191  0.23308141 -0.09756669
   0.05237963  0.11575511  0.90210262
   0.09534775  0.56926699  0.10599916
   0.36192404  0.71340850  0.28993040
   0.09447583  0.83410456  0.04861422
   0.37623779  0.93804168  0.34909911
   0.40782208  0.92292856  0.16379713
   0.16936472  0.88123362  0.22919221
   0.30996156  0.64748933  0.47176819
   0.06379978  0.64605436  0.40864793
   0.12267330  0.58225545  0.58894484
   0.31018576  0.69614282  0.76382549
   0.12343933  0.83527114  0.51824557
   0.37881393  1.01375225  0.80016981
   0.45008220  0.87353386  0.63717578
   0.18653220  0.90738252  0.68961223
   0.23860905  0.63842862 -0.04578963
  -0.01821343  0.64597219  0.93807548
   0.61357985  0.08801068  0.10416127
   0.78826320  0.23600849  0.27752685
   0.56284198  0.31776225  0.03030337
   0.92093624  0.44521348  0.36073344
   0.00562316  0.35047059  0.20284240
   0.75222452  0.44096298  0.14440296
   0.77277593  0.19496762  0.45907586
   0.53109215  0.10424958  0.42984392
   0.62680575  0.04952714  0.59222059
   0.81716071  0.20380362  0.80233877
   0.57191675  0.31978259  0.54948815
   0.85668284  0.45168422  0.85385088
   0.95983318  0.39030683  0.66824819
   0.69111311  0.40156428  0.69940796
   0.77913429  0.12413629  0.96238412
   0.52850253  0.12149896  0.92108598
   0.52862262  0.58283834  0.07694872
   0.86146835  0.71873844  0.29320240
   0.58143321  0.84470544  0.03587998
   0.83667821  0.98550692  0.34974222
   0.90257908  0.89094001  0.16150488
   0.66142148  0.88846893  0.22174095
   0.81271672  0.61180419  0.47392404
   0.55343831  0.58262216  0.38357465
   0.60590225  0.58781175  0.56254189
   0.84604359  0.69964212  0.78648510
   0.61905731  0.81138849  0.43901081
   0.88873694  0.94478194  0.84896100
   0.93388324  0.86944661  0.66237321
   0.67939536  0.91117561  0.73242774
   0.73117670  0.64470692  0.96419217
   0.47624347  0.69498043  0.91533509
   0.70216404  0.79602613  0.58487556
   0.59604061  0.85135249  0.37551092
   0.87264456  0.20570531  0.11586521
   0.99716964  0.39285356  0.32660030
   0.34561764  0.10387366  0.63302279
   0.21608619  0.73014034  0.74060943
   0.04271763  1.12644514  0.15171670
   0.24823585  1.08023169  0.01937460
   0.61946520  0.36499831  0.86797184
   0.87973304  0.35388841  0.63578819
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907737    0.580854    0.025839
    -0.000000    9.865933    0.262911
    -0.000000    0.000000   13.955035
   Si   O    H 
    32    64    10
Direct configuration=   896
   0.15898713  0.17723558 -0.02928873
   0.38372501  0.09359938  0.38364137
   0.10724905  0.40462172  0.11469194
   0.35830045  0.35568361  0.25449041
   0.10697596  0.17825285  0.48367272
   0.40300978  0.15595332  0.85017326
   0.09990703  0.42511795  0.62066307
   0.35014505  0.40234926  0.74801932
   0.10612405  0.68057821  0.01353456
   0.38913505  0.59400073  0.37329929
   0.06483503  0.91783081  0.14154086
   0.32603883  0.86404936  0.25550824
   0.15386140  0.67991918  0.49486131
   0.34941845  0.62997917  0.86993289
   0.06414153  0.92884871  0.61168423
   0.33624141  0.98062617  0.68435318
   0.63241546  0.16057329  1.00374298
   0.86030211  0.14195176  0.36361862
   0.58809473  0.42926932  0.11371988
   0.84698192  0.30791971  0.18494416
   0.62993980  0.16878250  0.50975212
   0.88686924  0.10172486  0.87740656
   0.57799846  0.45012116  0.61206134
   0.74020151  0.35822811  0.80742638
   0.58059436  0.69182371 -0.00254123
   0.91400616  0.60569946  0.37622229
   0.56288234  0.93414711  0.13438811
   0.81963009  0.87159729  0.25881426
   0.65564681  0.64718750  0.46068550
   0.84530001  0.60802482  0.88608727
   0.60986360  0.89644633  0.62955233
   0.83149595  0.86203831  0.75630717
   0.04858597  0.06870372  0.09818612
   0.34388116  0.19896215  0.29348630
   0.10885641  0.33048862  0.01415945
   0.33430716  0.45161203  0.34821340
   0.51818463  0.38659725  0.21568038
   0.26182222  0.36792907  0.16422034
   0.25643763  0.11284264  0.46206291
   0.01089889  0.17852701  0.39022799
   0.02427499  0.07841695  0.56177025
   0.43485647  0.25368948  0.75848903
   0.13831030  0.30930763  0.53738303
   0.38915638  0.46882636  0.84548935
   0.42613634  0.47348140  0.65254974
   0.19759920  0.40358108  0.71659745
   0.27823410  0.23367707 -0.09772671
   0.05096035  0.11705987  0.90197658
   0.09463842  0.56813640  0.10701702
   0.36268277  0.71279891  0.29034214
   0.09446299  0.83505800  0.04967565
   0.37614711  0.93825140  0.34929798
   0.40944287  0.92385568  0.16513965
   0.16954945  0.88059903  0.22827519
   0.30994344  0.64734962  0.47134428
   0.06344429  0.64395869  0.40964005
   0.12425518  0.58102389  0.58898017
   0.30930091  0.69356073  0.76585365
   0.12458082  0.83699563  0.51685583
   0.37769018  1.01190048  0.79938971
   0.45035584  0.87482464  0.63687991
   0.18799529  0.90801346  0.68990498
   0.23830935  0.63874509 -0.04619442
  -0.01738372  0.64614290  0.93745095
   0.61456942  0.08847115  0.10443474
   0.78796602  0.23543842  0.27736329
   0.56512385  0.31796922  0.03130981
   0.92032614  0.44582748  0.36025902
   0.00489852  0.35094210  0.20193860
   0.75164862  0.44056974  0.14438527
   0.77288563  0.19529544  0.45841607
   0.53162319  0.10531827  0.43081874
   0.62674641  0.04868577  0.59167122
   0.81665920  0.20326417  0.80157380
   0.57116199  0.31960051  0.54904208
   0.85589244  0.45264263  0.85201897
   0.96057356  0.39030811  0.66709924
   0.68896037  0.40309802  0.69902421
   0.77957761  0.12391245  0.96286776
   0.52802783  0.12040311  0.92268240
   0.52752299  0.58249931  0.07713042
   0.86340164  0.71793384  0.29358771
   0.58130775  0.84480677  0.03629975
   0.83532696  0.98512290  0.35047146
   0.90438351  0.88964546  0.16199002
   0.66067614  0.88771678  0.22168628
   0.81322155  0.61153011  0.47303585
   0.55254947  0.58218356  0.38534620
   0.60557151  0.58816336  0.56244092
   0.84706294  0.70133366  0.78630189
   0.61984884  0.81145008  0.43885439
   0.88760504  0.94304878  0.84864176
   0.93508220  0.86787520  0.66257115
   0.67910292  0.91134689  0.73260922
   0.73069540  0.64606044  0.96393794
   0.47671258  0.69611704  0.91590282
   0.70482205  0.78941768  0.58143707
   0.60086012  0.84770413  0.37303096
   0.87027875  0.20986067  0.11230459
   0.98822204  0.39757812  0.32731084
   0.35175887  0.10756461  0.63074367
   0.21415813  0.73158320  0.74173314
   0.04242977  1.12517459  0.15025201
   0.24946962  1.07793035  0.01932095
   0.61722053  0.37038417  0.86850816
   0.88474261  0.35050359  0.63239838
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904568    0.582466    0.026572
    -0.000000    9.865385    0.264030
    -0.000000    0.000000   13.954511
   Si   O    H 
    32    64    10
Direct configuration=   897
   0.15836576  0.17748031 -0.02969162
   0.38351282  0.09328011  0.38305926
   0.10799871  0.40518664  0.11388945
   0.35887557  0.35581297  0.25440777
   0.10693165  0.17741393  0.48361468
   0.40265650  0.15572235  0.85002459
   0.09965835  0.42628877  0.62057236
   0.34916133  0.40337343  0.74807486
   0.10582266  0.68025426  0.01383079
   0.38945425  0.59330825  0.37343736
   0.06437912  0.91933209  0.14163605
   0.32721559  0.86444690  0.25632098
   0.15615735  0.68058163  0.49536840
   0.34939410  0.62995432  0.87018423
   0.06486917  0.92822235  0.61146595
   0.33573963  0.98080559  0.68424815
   0.63184658  0.16077678  1.00368684
   0.85843560  0.14278536  0.36389301
   0.58828048  0.43051929  0.11467765
   0.84683434  0.30862337  0.18466705
   0.62955465  0.16755736  0.50908128
   0.88779006  0.10232852  0.87578480
   0.57742784  0.44968926  0.61238305
   0.74161652  0.36027069  0.80772483
   0.58030175  0.69190609 -0.00210864
   0.91388478  0.60355264  0.37683022
   0.56333300  0.93325027  0.13305990
   0.81988980  0.87093372  0.25813184
   0.65570387  0.64646474  0.46084456
   0.84514128  0.60641761  0.88530555
   0.61099618  0.89763309  0.62889779
   0.83282969  0.86270849  0.75645237
   0.04995297  0.06776619  0.09827377
   0.34327717  0.19827512  0.29322208
   0.10894649  0.33080268  0.01377652
   0.33451934  0.45132746  0.34795942
   0.51804231  0.38618616  0.21660925
   0.26039570  0.36833232  0.16369918
   0.25762750  0.11366960  0.46271481
   0.01205945  0.17837762  0.39072975
   0.02523435  0.07714258  0.56179165
   0.43582768  0.25527472  0.75775631
   0.13910981  0.30912579  0.53792757
   0.38920093  0.46954428  0.84650840
   0.42481823  0.47267006  0.65240577
   0.19644706  0.40696957  0.71597199
   0.27918515  0.23360987 -0.09707815
   0.04881797  0.11756669  0.90169764
   0.09338900  0.56738050  0.10791516
   0.36316834  0.71230378  0.29016201
   0.09462592  0.83510038  0.05021592
   0.37615478  0.93893762  0.34881371
   0.41019923  0.92497117  0.16630121
   0.16899519  0.88048907  0.22733388
   0.31126145  0.64643277  0.47125819
   0.06337544  0.64202701  0.41016999
   0.12504628  0.57984880  0.58943972
   0.30691316  0.69163932  0.76717079
   0.12591862  0.83918617  0.51619686
   0.37616057  1.01018411  0.79875101
   0.45034970  0.87644610  0.63670184
   0.18867173  0.90846980  0.69006091
   0.23760281  0.63844656 -0.04637561
  -0.01565000  0.64662254  0.93693795
   0.61507195  0.08860780  0.10521294
   0.78779029  0.23415469  0.27655683
   0.56808367  0.31765163  0.03257975
   0.91830171  0.44622929  0.36070090
   0.00413267  0.35228733  0.20138037
   0.75072043  0.44034927  0.14437486
   0.77253646  0.19537947  0.45800556
   0.53208601  0.10650728  0.43213469
   0.62682283  0.04816154  0.59150873
   0.81684871  0.20432278  0.80059476
   0.57026317  0.31891338  0.54826926
   0.85437562  0.45311660  0.85047279
   0.96122518  0.38923043  0.66633278
   0.68773830  0.40499183  0.69908931
   0.78006613  0.12393927  0.96366134
   0.52783021  0.11955565  0.92457639
   0.52695722  0.58134126  0.07789030
   0.86559088  0.71689215  0.29384534
   0.58175376  0.84455788  0.03756149
   0.83408913  0.98371931  0.35096913
   0.90595780  0.88895456  0.16236197
   0.66026055  0.88627297  0.22202092
   0.81385345  0.61158967  0.47206860
   0.55139305  0.58102827  0.38732317
   0.60529618  0.58876246  0.56238754
   0.84691319  0.70256821  0.78574052
   0.62113772  0.81209512  0.43822365
   0.88609130  0.94178920  0.84863946
   0.93554182  0.86664649  0.66299703
   0.67836898  0.91112601  0.73284999
   0.73039673  0.64740896  0.96411210
   0.47627288  0.69715132  0.91578784
   0.70547368  0.78586212  0.58167763
   0.60633885  0.84587909  0.37473926
   0.86902856  0.21697532  0.10638232
   0.98797548  0.39946336  0.32449433
   0.35814145  0.11196149  0.62832435
   0.22395087  0.73130414  0.74684296
   0.04123422  1.13431782  0.15125359
   0.25338463  1.07346811  0.02207574
   0.61763607  0.37333658  0.87001806
   0.89166460  0.35020855  0.63190456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901711    0.583829    0.027035
    -0.000000    9.864926    0.264492
    -0.000000    0.000000   13.953842
   Si   O    H 
    32    64    10
Direct configuration=   898
   0.15848313  0.17738970 -0.02999565
   0.38321440  0.09276092  0.38246074
   0.10964215  0.40576252  0.11336326
   0.35945416  0.35566276  0.25437324
   0.10698586  0.17596112  0.48391955
   0.40238046  0.15514390  0.85039155
   0.10002875  0.42762148  0.62063226
   0.34861048  0.40351078  0.74772494
   0.10508556  0.67984482  0.01347493
   0.38970831  0.59340071  0.37368340
   0.06353145  0.92068238  0.14183065
   0.32813797  0.86487046  0.25743901
   0.15793962  0.68168023  0.49622353
   0.35015311  0.62984044  0.87023054
   0.06485322  0.92792157  0.61111237
   0.33564286  0.98089394  0.68398088
   0.63130439  0.16156788  1.00375454
   0.85656041  0.14330984  0.36444127
   0.58848445  0.43110468  0.11577318
   0.84669386  0.30931194  0.18488342
   0.62931206  0.16615248  0.50832005
   0.88858966  0.10317665  0.87467443
   0.57640992  0.44917066  0.61304846
   0.74347016  0.36177396  0.80830819
   0.58019013  0.69171693 -0.00150250
   0.91406230  0.60143291  0.37707831
   0.56428754  0.93268471  0.13162091
   0.81994503  0.87034217  0.25785639
   0.65527959  0.64578222  0.46090321
   0.84493987  0.60542696  0.88425208
   0.61191938  0.89886924  0.62829333
   0.83447073  0.86325410  0.75651853
   0.05141119  0.06717952  0.09914518
   0.34265275  0.19768309  0.29289102
   0.10975487  0.32992169  0.01325667
   0.33531116  0.45100006  0.34761768
   0.51794850  0.38614786  0.21731830
   0.25934447  0.36951106  0.16317479
   0.25919821  0.11447218  0.46305983
   0.01305186  0.17802094  0.39030781
   0.02674515  0.07634474  0.56215447
   0.43707874  0.25667283  0.75708853
   0.13951308  0.30980613  0.53857510
   0.38902809  0.47087743  0.84751332
   0.42374934  0.47167693  0.65299247
   0.19566393  0.40986572  0.71533156
   0.27943326  0.23343327 -0.09677481
   0.04634554  0.11896466  0.90139848
   0.09202080  0.56710823  0.10816119
   0.36364446  0.71142154  0.28987589
   0.09516900  0.83394110  0.05035483
   0.37578980  0.93894376  0.34832693
   0.41084526  0.92611555  0.16734824
   0.16888142  0.88088734  0.22717882
   0.31341239  0.64493786  0.47112952
   0.06382078  0.63949344  0.41049318
   0.12591697  0.57953125  0.58981821
   0.30518567  0.68957238  0.76841585
   0.12772931  0.83985296  0.51604203
   0.37382012  1.00904926  0.79793945
   0.45013562  0.87786863  0.63665737
   0.18917145  0.90874322  0.69027340
   0.23734952  0.63876793 -0.04661338
  -0.01376734  0.64646198  0.93686798
   0.61550184  0.08903743  0.10654333
   0.78713710  0.23310974  0.27634543
   0.57165165  0.31683749  0.03402680
   0.91571221  0.44632328  0.36055827
   0.00269373  0.35362912  0.20089883
   0.75077431  0.43992976  0.14444920
   0.77227676  0.19552306  0.45737072
   0.53157983  0.10803552  0.43311975
   0.62712056  0.04784383  0.59151345
   0.81662569  0.20606148  0.79948521
   0.56978617  0.31701018  0.54794034
   0.85391402  0.45426132  0.84944021
   0.96135260  0.38867280  0.66640780
   0.68692067  0.40692803  0.69923208
   0.78110874  0.12407555  0.96444704
   0.52796271  0.11893894  0.92587488
   0.52701331  0.57930082  0.07863575
   0.86775450  0.71609218  0.29432158
   0.58267217  0.84429393  0.03858016
   0.83376022  0.98178084  0.35078203
   0.90745969  0.88915447  0.16251380
   0.65956337  0.88499746  0.22234146
   0.81514313  0.61161634  0.47038143
   0.55037916  0.57855053  0.38901229
   0.60476123  0.58987022  0.56237063
   0.84676709  0.70316272  0.78577748
   0.62155172  0.81267138  0.43772954
   0.88495534  0.94172551  0.84801972
   0.93584879  0.86612438  0.66393247
   0.67761746  0.91056731  0.73301341
   0.73028273  0.64863817  0.96428186
   0.47475995  0.69775226  0.91518474
   0.70002316  0.78589241  0.58222184
   0.60949826  0.84549887  0.37100409
   0.86668308  0.22075579  0.10000087
   0.98941958  0.39944514  0.31910665
   0.36025590  0.11164485  0.62632209
   0.22663676  0.73568361  0.74860740
   0.03876046  1.14236873  0.14809658
   0.25520777  1.07156962  0.02481790
   0.62122994  0.37704874  0.87022568
   0.89385282  0.34854837  0.62963354
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899197    0.585821    0.027312
    -0.000000    9.864593    0.264767
    -0.000000    0.000000   13.952954
   Si   O    H 
    32    64    10
Direct configuration=   899
   0.15904836  0.17719042 -0.03027818
   0.38259347  0.09265111  0.38150074
   0.11119902  0.40639830  0.11293437
   0.36014844  0.35542628  0.25462645
   0.10644629  0.17441491  0.48389148
   0.40310938  0.15412017  0.85071201
   0.10068024  0.42765842  0.62093065
   0.34858675  0.40325350  0.74692861
   0.10377377  0.67898302  0.01360319
   0.38964518  0.59336480  0.37367935
   0.06327964  0.92086262  0.14170634
   0.32839832  0.86501445  0.25809347
   0.15945833  0.68253247  0.49742132
   0.35106438  0.62985177  0.87025860
   0.06459372  0.92820923  0.61050045
   0.33568887  0.98062394  0.68386415
   0.63077554  0.16219169  1.00366860
   0.85560357  0.14383523  0.36516632
   0.58907211  0.43141345  0.11721806
   0.84618527  0.31003526  0.18463907
   0.62949882  0.16553808  0.50754826
   0.88867877  0.10398401  0.87387540
   0.57529204  0.44831463  0.61403144
   0.74455111  0.36304865  0.80882280
   0.57986687  0.69131363 -0.00093136
   0.91461253  0.59987090  0.37697781
   0.56546887  0.93226577  0.13044450
   0.82005605  0.86977422  0.25753337
   0.65490775  0.64550987  0.46077997
   0.84578039  0.60485084  0.88322750
   0.61260305  0.89951483  0.62724051
   0.83563802  0.86365193  0.75679563
   0.05208674  0.06748275  0.10039403
   0.34289384  0.19709382  0.29189831
   0.10944547  0.32953938  0.01265465
   0.33507529  0.45031033  0.34676492
   0.51735571  0.38625748  0.21779070
   0.25903134  0.37083551  0.16300390
   0.26072913  0.11548132  0.46379187
   0.01471349  0.17769454  0.38901819
   0.02795313  0.07659033  0.56238876
   0.43890667  0.25805349  0.75730693
   0.13932067  0.31110135  0.53930481
   0.38865789  0.47277447  0.84839010
   0.42184573  0.47117405  0.65412151
   0.19506578  0.41237233  0.71457025
   0.27946688  0.23330482 -0.09673389
   0.04381199  0.12062485  0.90107895
   0.08992444  0.56741536  0.10819866
   0.36324589  0.70970579  0.28945688
   0.09574262  0.83375619  0.05037187
   0.37562911  0.93944999  0.34806728
   0.41119935  0.92732183  0.16772540
   0.16854197  0.88120349  0.22698202
   0.31529651  0.64354304  0.47109304
   0.06393957  0.63728217  0.41027105
   0.12610219  0.57858938  0.58970810
   0.30547767  0.68760301  0.76931983
   0.12986786  0.84065804  0.51597947
   0.37189208  1.00812377  0.79811664
   0.44938581  0.87854052  0.63665043
   0.18933805  0.90982272  0.69043911
   0.23754005  0.63925321 -0.04724202
  -0.01166691  0.64587434  0.93686896
   0.61598534  0.08850154  0.10854702
   0.78665968  0.23260006  0.27672947
   0.57519446  0.31593825  0.03452398
   0.91414843  0.44599405  0.36011072
   0.00145909  0.35459610  0.19993524
   0.74987618  0.43984539  0.14537507
   0.77187406  0.19491345  0.45681138
   0.53122908  0.10940651  0.43364835
   0.62759632  0.04740406  0.59113638
   0.81595768  0.20713132  0.79809438
   0.56909901  0.31468464  0.54736718
   0.85355667  0.45506848  0.84852410
   0.96146814  0.38767029  0.66663356
   0.68593674  0.40941992  0.69937048
   0.78290907  0.12431362  0.96517534
   0.52675767  0.11827752  0.92670856
   0.52662186  0.57810709  0.07900794
   0.86977141  0.71562528  0.29520135
   0.58275896  0.84412420  0.03897265
   0.83414118  0.98015435  0.34956109
   0.90847186  0.88977568  0.16237125
   0.65866538  0.88385001  0.22347136
   0.81675288  0.61244482  0.46874375
   0.54965596  0.57645687  0.39006073
   0.60465402  0.59098100  0.56230482
   0.84725105  0.70340527  0.78567959
   0.62290846  0.81314909  0.43777991
   0.88398420  0.94217494  0.84747718
   0.93582490  0.86577455  0.66444131
   0.67742175  0.91099095  0.73407885
   0.73013600  0.64962265  0.96437476
   0.47379833  0.69778546  0.91441331
   0.69179684  0.79494996  0.58516009
   0.61250878  0.84536710  0.36596964
   0.85982398  0.22633403  0.09769064
   0.98459390  0.39937613  0.31895914
   0.36190763  0.10899862  0.62534558
   0.21865231  0.74717523  0.74871638
   0.03622831  1.14536140  0.14197113
   0.25477430  1.07272717  0.02522139
   0.62545288  0.37585006  0.87188692
   0.89229288  0.34245600  0.62832524
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897357    0.587937    0.028064
    -0.000000    9.864321    0.265429
    -0.000000    0.000000   13.952730
   Si   O    H 
    32    64    10
Direct configuration=   900
   0.15977760  0.17676786 -0.03012540
   0.38203312  0.09192679  0.38103597
   0.11309385  0.40694600  0.11286078
   0.36044255  0.35567654  0.25491031
   0.10585742  0.17307424  0.48385534
   0.40375702  0.15364784  0.85069946
   0.10104711  0.42733071  0.62129909
   0.34870786  0.40314763  0.74659573
   0.10177816  0.67801711  0.01365108
   0.38925670  0.59360130  0.37384203
   0.06330611  0.92059814  0.14177977
   0.32831934  0.86511069  0.25866174
   0.16131762  0.68284403  0.49862928
   0.35130403  0.62982237  0.87073028
   0.06464741  0.92805086  0.60949933
   0.33605222  0.98055466  0.68377953
   0.63011919  0.16291034  1.00396548
   0.85475375  0.14401906  0.36556820
   0.58971766  0.43143821  0.11872949
   0.84585345  0.31069373  0.18449773
   0.62944581  0.16474462  0.50776941
   0.88865605  0.10436004  0.87365031
   0.57400340  0.44780567  0.61506808
   0.74508272  0.36367269  0.80895969
   0.57913267  0.69106599 -0.00000859
   0.91515292  0.59885179  0.37698035
   0.56668254  0.93181596  0.12928591
   0.82079989  0.86946849  0.25734888
   0.65408292  0.64535792  0.46015072
   0.84718183  0.60529056  0.88201003
   0.61366588  0.90000635  0.62661865
   0.83667868  0.86400947  0.75718929
   0.05218398  0.06907969  0.10157605
   0.34308720  0.19728849  0.29110550
   0.10901691  0.32895407  0.01220972
   0.33460597  0.44874699  0.34649271
   0.51640946  0.38633821  0.21799454
   0.25942269  0.37286537  0.16295774
   0.26173866  0.11664743  0.46388367
   0.01588390  0.17766771  0.38795601
   0.02984307  0.07658466  0.56297600
   0.44023704  0.25872393  0.75731530
   0.13864365  0.31344307  0.54042630
   0.38804177  0.47439425  0.84923995
   0.41918960  0.47143740  0.65532809
   0.19470188  0.41411777  0.71400897
   0.27928312  0.23360961 -0.09683256
   0.04111154  0.12144857  0.90101436
   0.08802608  0.56841089  0.10822092
   0.36327724  0.70771035  0.28852382
   0.09669527  0.83310693  0.04994538
   0.37640443  0.93938613  0.34842600
   0.41095461  0.92828469  0.16801019
   0.16816574  0.88167914  0.22699581
   0.31621368  0.64299919  0.47093030
   0.06434284  0.63550821  0.41000623
   0.12607158  0.57876597  0.58927674
   0.30520184  0.68654697  0.76933943
   0.13206782  0.84160989  0.51573041
   0.36947764  1.00844592  0.79791039
   0.44896235  0.87890436  0.63668505
   0.18896933  0.91213322  0.68993929
   0.23663545  0.63963573 -0.04743483
  -0.00937164  0.64502824  0.93653628
   0.61628207  0.08807488  0.11045511
   0.78704135  0.23195337  0.27685757
   0.57886622  0.31449179  0.03504520
   0.91282717  0.44470331  0.35975938
   0.00017756  0.35567964  0.19933838
   0.74799051  0.43946052  0.14662247
   0.77157252  0.19430340  0.45714522
   0.53054447  0.10943751  0.43322421
   0.62835325  0.04768566  0.59069403
   0.81490329  0.20969305  0.79641941
   0.56875000  0.31214518  0.54686413
   0.85341005  0.45464974  0.84794279
   0.96011718  0.38628026  0.66740398
   0.68393824  0.41187419  0.69936436
   0.78491196  0.12413521  0.96608481
   0.52490289  0.11798757  0.92718358
   0.52594936  0.57789856  0.07967151
   0.87153998  0.71546986  0.29591235
   0.58328180  0.84305955  0.03917989
   0.83411314  0.97844244  0.34870186
   0.90875213  0.89001090  0.16227103
   0.65769350  0.88301945  0.22439015
   0.81836696  0.61287276  0.46751421
   0.54978142  0.57483786  0.39103471
   0.60471165  0.59248282  0.56286467
   0.84828784  0.70254831  0.78529547
   0.62419113  0.81358025  0.43759640
   0.88389624  0.94332894  0.84731422
   0.93537696  0.86621483  0.66435199
   0.67723468  0.91136980  0.73525399
   0.73071528  0.65007898  0.96457094
   0.47375990  0.69844073  0.91362295
   0.68357052  0.79955608  0.58642517
   0.61649388  0.83786344  0.36766646
   0.85192449  0.22728857  0.09804299
   0.97991061  0.40088543  0.32074059
   0.35849507  0.10587456  0.62495955
   0.22156994  0.75128206  0.75149970
   0.03289474  1.14907727  0.13668239
   0.24861087  1.07720967  0.02293628
   0.63140521  0.37199628  0.87324409
   0.89308685  0.33988915  0.62933893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895465    0.589799    0.028756
    -0.000000    9.863844    0.265978
    -0.000000    0.000000   13.952466
   Si   O    H 
    32    64    10
Direct configuration=   901
   0.16059355  0.17627923 -0.03009571
   0.38188758  0.09164042  0.38096160
   0.11495685  0.40792900  0.11314700
   0.36132026  0.35591110  0.25509078
   0.10526162  0.17208565  0.48433572
   0.40390649  0.15348474  0.85071585
   0.10143008  0.42738321  0.62186209
   0.34897713  0.40278872  0.74627260
   0.09939637  0.67730321  0.01383899
   0.38858769  0.59383720  0.37374726
   0.06389806  0.92015556  0.14189542
   0.32859875  0.86541759  0.25957463
   0.16278036  0.68258960  0.50005571
   0.35126898  0.62949311  0.87160665
   0.06479131  0.92739673  0.60865025
   0.33648920  0.98053203  0.68358605
   0.63011783  0.16408252  1.00433995
   0.85406066  0.14376160  0.36646740
   0.59033174  0.43103218  0.12013653
   0.84493786  0.31135926  0.18420656
   0.62958208  0.16463337  0.50813054
   0.88855488  0.10493054  0.87383716
   0.57171627  0.44750739  0.61603498
   0.74538308  0.36415028  0.80886026
   0.57901281  0.69115892  0.00095356
   0.91593775  0.59824950  0.37685338
   0.56769732  0.93122440  0.12873363
   0.82167388  0.86877269  0.25785075
   0.65334480  0.64494384  0.45961767
   0.84798250  0.60574606  0.88086453
   0.61472955  0.90023114  0.62649555
   0.83716383  0.86419948  0.75767894
   0.05324592  0.07064480  0.10249281
   0.34415883  0.19802349  0.29016497
   0.10837672  0.32773060  0.01311029
   0.33362510  0.44742481  0.34572652
   0.51519700  0.38598627  0.21785478
   0.26014942  0.37500957  0.16284117
   0.26236944  0.11801412  0.46410764
   0.01696141  0.17738845  0.38640151
   0.03152442  0.07596678  0.56313570
   0.44055051  0.25909718  0.75778045
   0.13723549  0.31587685  0.54130518
   0.38772473  0.47574158  0.84932478
   0.41706924  0.47190006  0.65588436
   0.19406046  0.41539290  0.71431791
   0.27943785  0.23397471 -0.09688595
   0.03908906  0.12319053  0.90085469
   0.08586715  0.56968341  0.10803250
   0.36383564  0.70637402  0.28759339
   0.09762495  0.83329024  0.04945102
   0.37637934  0.93953883  0.34917217
   0.40939723  0.92825644  0.16799426
   0.16818603  0.88146905  0.22757182
   0.31657705  0.64226655  0.47067217
   0.06563036  0.63364162  0.40996133
   0.12542669  0.57958837  0.58901245
   0.30464995  0.68615270  0.76909364
   0.13441686  0.84248703  0.51575141
   0.36745602  1.00807292  0.79751151
   0.44807483  0.87845282  0.63704314
   0.18889549  0.91404785  0.68891022
   0.23584050  0.64009846 -0.04779325
  -0.00722571  0.64362954  0.93646800
   0.61686653  0.08738077  0.11258774
   0.78734260  0.23142934  0.27646311
   0.58266634  0.31366279  0.03574436
   0.91159589  0.44364219  0.35952541
  -0.00079994  0.35656713  0.19795389
   0.74550977  0.43962059  0.14834967
   0.77137265  0.19362021  0.45826149
   0.52933918  0.10943269  0.43227225
   0.62945189  0.04816883  0.59015330
   0.81363856  0.21191838  0.79500397
   0.56837009  0.30850041  0.54653451
   0.85408364  0.45423429  0.84696289
   0.95831741  0.38534517  0.66849101
   0.68241357  0.41341046  0.70000150
   0.78588015  0.12444212  0.96699411
   0.52252558  0.11809091  0.92757754
   0.52497449  0.57697078  0.08002927
   0.87410744  0.71535970  0.29604761
   0.58423259  0.84143594  0.03904066
   0.83339958  0.97686150  0.34792902
   0.90953204  0.89071392  0.16267330
   0.65751393  0.88204753  0.22513561
   0.81851307  0.61281430  0.46679934
   0.54992041  0.57270664  0.39210310
   0.60438389  0.59364699  0.56314381
   0.84923874  0.70164377  0.78522156
   0.62604107  0.81387730  0.43702400
   0.88355888  0.94518525  0.84733309
   0.93506125  0.86764559  0.66449914
   0.67567999  0.91160623  0.73652688
   0.73132346  0.65058452  0.96442604
   0.47391192  0.69864496  0.91287447
   0.68272852  0.79393543  0.58489541
   0.61927926  0.83330690  0.37052005
   0.84594867  0.22612875  0.09842452
   0.98029315  0.40151172  0.32119642
   0.35372797  0.10354703  0.62627841
   0.23246903  0.74925133  0.75526883
   0.02468809  1.15571210  0.13253812
   0.24257469  1.08048639  0.02070721
   0.63501848  0.36681211  0.87395565
   0.89727127  0.33979126  0.63237317
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893353    0.591275    0.029790
    -0.000000    9.863411    0.266843
    -0.000000    0.000000   13.952306
   Si   O    H 
    32    64    10
Direct configuration=   902
   0.16133508  0.17580274 -0.03002296
   0.38160806  0.09205012  0.38125415
   0.11667000  0.40809103  0.11366190
   0.36204065  0.35611769  0.25497429
   0.10514631  0.17134167  0.48477543
   0.40453306  0.15286204  0.85023318
   0.10242885  0.42704319  0.62198892
   0.34913374  0.40225045  0.74613755
   0.09677820  0.67699027  0.01393674
   0.38767195  0.59335894  0.37337281
   0.06409316  0.91985518  0.14182115
   0.32849881  0.86545765  0.26047682
   0.16456348  0.68230234  0.50134967
   0.35101147  0.62980079  0.87252736
   0.06547673  0.92631598  0.60742711
   0.33698257  0.98040978  0.68363316
   0.63021725  0.16557202  1.00449768
   0.85318978  0.14335598  0.36691388
   0.58977038  0.43049958  0.12117571
   0.84399074  0.31180114  0.18373793
   0.62938788  0.16461117  0.50838194
   0.88859799  0.10592518  0.87422472
   0.56962751  0.44716409  0.61674524
   0.74487471  0.36456496  0.80832207
   0.57852213  0.69131732  0.00209048
   0.91739798  0.59799078  0.37663601
   0.56893388  0.93055563  0.12855442
   0.82228538  0.86767795  0.25860791
   0.65307318  0.64472701  0.45891723
   0.84838726  0.60698478  0.88012156
   0.61554333  0.90034002  0.62648004
   0.83762702  0.86466083  0.75819081
   0.05432243  0.07227163  0.10359744
   0.34492372  0.19829089  0.28908943
   0.10718183  0.32690131  0.01324523
   0.33214796  0.44670097  0.34493958
   0.51463994  0.38587337  0.21778046
   0.26002908  0.37693139  0.16243342
   0.26337652  0.11913514  0.46364944
   0.01805891  0.17718372  0.38509072
   0.03202686  0.07575221  0.56340385
   0.44156997  0.25888303  0.75832534
   0.13605492  0.31775456  0.54151820
   0.38754588  0.47607109  0.84905915
   0.41572043  0.47186158  0.65643047
   0.19363891  0.41605600  0.71488782
   0.27978793  0.23459150 -0.09692826
   0.03728646  0.12578470  0.90127013
   0.08417373  0.57172831  0.10716059
   0.36440325  0.70550780  0.28655221
   0.09962128  0.83328209  0.04898798
   0.37621520  0.94052750  0.35011044
   0.40836852  0.92850072  0.16826170
   0.16868221  0.88190899  0.22865372
   0.31794136  0.64160455  0.47077448
   0.06694873  0.63202932  0.40999669
   0.12399405  0.58039311  0.58850247
   0.30457838  0.68549437  0.76877870
   0.13673156  0.84331591  0.51616276
   0.36590600  1.00850947  0.79735595
   0.44755038  0.87778545  0.63743689
   0.18822919  0.91595826  0.68800768
   0.23479889  0.64065973 -0.04798348
  -0.00621269  0.64238931  0.93643592
   0.61753827  0.08626445  0.11408876
   0.78861678  0.23011232  0.27580926
   0.58649797  0.31458586  0.03619639
   0.91059936  0.44209734  0.35923453
  -0.00048665  0.35618574  0.19635664
   0.74325733  0.43954816  0.15002429
   0.77168306  0.19243050  0.45924573
   0.52812415  0.10932884  0.43050813
   0.63083006  0.04918236  0.58997984
   0.81361099  0.21377478  0.79349458
   0.56811987  0.30461037  0.54640877
   0.85411160  0.45423014  0.84636382
   0.95727915  0.38459483  0.66947435
   0.68170313  0.41481030  0.70050965
   0.78617961  0.12468520  0.96772970
   0.52030677  0.11778968  0.92841849
   0.52440319  0.57646321  0.08095950
   0.87574265  0.71499387  0.29567084
   0.58476316  0.83992079  0.03885562
   0.83348964  0.97546804  0.34674908
   0.91040175  0.89083802  0.16355562
   0.65794506  0.88043590  0.22560136
   0.81861755  0.61177238  0.46608646
   0.54943027  0.57054556  0.39272873
   0.60381093  0.59360274  0.56289181
   0.84965236  0.70074538  0.78461208
   0.62800582  0.81316639  0.43689998
   0.88364722  0.94656729  0.84721769
   0.93413540  0.86981663  0.66468149
   0.67454460  0.91165273  0.73811824
   0.73299040  0.65168160  0.96310561
   0.47514658  0.69979817  0.91264691
   0.68725054  0.78143461  0.58061701
   0.61783772  0.82861974  0.36982701
   0.83998851  0.22473266  0.09907148
   0.98719127  0.40059814  0.31936460
   0.34400068  0.10431999  0.62852312
   0.23779833  0.75230853  0.76022259
   0.01388279  1.16193617  0.13109457
   0.24110016  1.08044325  0.01845312
   0.63464923  0.36076253  0.87519117
   0.89433108  0.33838390  0.63153530
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891230    0.593133    0.030990
    -0.000000    9.862895    0.267664
    -0.000000    0.000000   13.952532
   Si   O    H 
    32    64    10
Direct configuration=   903
   0.16103057  0.17558335 -0.02997960
   0.38169193  0.09281217  0.38153407
   0.11851489  0.40827628  0.11399352
   0.36216711  0.35631467  0.25511812
   0.10481114  0.17095926  0.48502025
   0.40453078  0.15232876  0.84928957
   0.10323795  0.42666756  0.62181546
   0.35002403  0.40189690  0.74669754
   0.09509768  0.67637352  0.01406986
   0.38648911  0.59251882  0.37307880
   0.06462768  0.91932163  0.14188925
   0.32836899  0.86510968  0.26045384
   0.16561586  0.68196223  0.50270951
   0.35100918  0.63031129  0.87338229
   0.06577829  0.92470303  0.60652090
   0.33750465  0.98008885  0.68370499
   0.63110310  0.16631251  1.00480723
   0.85229957  0.14273312  0.36702451
   0.58914932  0.43061261  0.12202280
   0.84310448  0.31264255  0.18335911
   0.62954880  0.16452083  0.50868718
   0.88832255  0.10649404  0.87446864
   0.56783914  0.44645011  0.61714087
   0.74456615  0.36393052  0.80765181
   0.57822384  0.69149004  0.00299950
   0.91873180  0.59837749  0.37663078
   0.57053348  0.92974083  0.12884315
   0.82262665  0.86679622  0.25942450
   0.65270108  0.64489521  0.45838518
   0.84950022  0.60840256  0.87974236
   0.61613514  0.89987805  0.62626086
   0.83749311  0.86548509  0.75840786
   0.05493875  0.07436959  0.10473340
   0.34558621  0.19915944  0.28848309
   0.10540021  0.32583209  0.01349478
   0.33089537  0.44633280  0.34436513
   0.51486311  0.38560109  0.21779286
   0.26007693  0.37866042  0.16187988
   0.26398492  0.12112956  0.46305029
   0.01850689  0.17707978  0.38393456
   0.03295627  0.07521838  0.56351772
   0.44217988  0.25872078  0.75891271
   0.13421273  0.31929901  0.54135788
   0.38696506  0.47632522  0.84854052
   0.41495104  0.47139790  0.65602510
   0.19440744  0.41687419  0.71606329
   0.28093526  0.23428840 -0.09699044
   0.03648901  0.12728967  0.90187442
   0.08349549  0.57411346  0.10655090
   0.36481370  0.70498595  0.28576003
   0.10192685  0.83262773  0.04831546
   0.37594360  0.94132517  0.35092505
   0.40740963  0.92835161  0.16861082
   0.16930566  0.88212006  0.22937432
   0.31861381  0.64137283  0.47053710
   0.06879763  0.63022677  0.41057009
   0.12163062  0.58194150  0.58723006
   0.30491434  0.68456425  0.76872759
   0.13835047  0.84411362  0.51686534
   0.36473442  1.00908078  0.79709270
   0.44731980  0.87574540  0.63751780
   0.18736660  0.91756187  0.68711537
   0.23325693  0.64083084 -0.04819633
  -0.00629410  0.64044286  0.93603342
   0.61878836  0.08524347  0.11495274
   0.78969912  0.22934333  0.27570555
   0.58895131  0.31594355  0.03640159
   0.90934271  0.44007940  0.35840739
   0.00037834  0.35544288  0.19497827
   0.74088716  0.43963967  0.15207747
   0.77225111  0.19124316  0.46050973
   0.52656586  0.11000182  0.42867847
   0.63232113  0.05061498  0.58965728
   0.81393776  0.21500325  0.79205494
   0.56723040  0.30123701  0.54604025
   0.85448730  0.45458022  0.84605833
   0.95639649  0.38382752  0.67007992
   0.68087982  0.41584403  0.70116700
   0.78614369  0.12419441  0.96805355
   0.51848756  0.11696636  0.92931665
   0.52367425  0.57593814  0.08160620
   0.87645662  0.71468171  0.29586303
   0.58498400  0.83861242  0.03843435
   0.83253239  0.97496229  0.34565489
   0.91120177  0.89090303  0.16494888
   0.65868608  0.87871282  0.22617830
   0.81771433  0.61089403  0.46553193
   0.54922091  0.56797859  0.39406264
   0.60267257  0.59362699  0.56344620
   0.84950034  0.69974158  0.78374800
   0.63072086  0.81262682  0.43654632
   0.88344460  0.94781417  0.84754323
   0.93352287  0.87153268  0.66484086
   0.67339069  0.91194192  0.73933016
   0.73420020  0.65242797  0.96189665
   0.47693776  0.70136898  0.91236627
   0.68940130  0.77394903  0.57793931
   0.61557103  0.82767663  0.36243090
   0.83636360  0.22682562  0.09993987
   0.98878738  0.39965436  0.31861057
   0.33650731  0.10494218  0.62822039
   0.23188359  0.76340904  0.76236593
   0.00650904  1.15630882  0.12975459
   0.24266042  1.07309983  0.01961124
   0.63259559  0.35752970  0.87459717
   0.89192818  0.33713254  0.63306686
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889125    0.595092    0.032549
    -0.000000    9.862506    0.268489
    -0.000000    0.000000   13.953133
   Si   O    H 
    32    64    10
Direct configuration=   904
   0.16077641  0.17589695 -0.03019325
   0.38114803  0.09421990  0.38184855
   0.12016377  0.40849190  0.11475359
   0.36234366  0.35671321  0.25502217
   0.10512453  0.17167572  0.48515986
   0.40434890  0.15220802  0.84842032
   0.10395846  0.42655222  0.62193118
   0.35119573  0.40104951  0.74788648
   0.09386948  0.67511916  0.01418283
   0.38599484  0.59207459  0.37261359
   0.06543057  0.91863250  0.14209762
   0.32822323  0.86517670  0.26017467
   0.16598377  0.68095364  0.50386706
   0.35051527  0.63073292  0.87410345
   0.06638202  0.92327862  0.60581283
   0.33781080  0.97899312  0.68340516
   0.63174825  0.16708170  1.00503651
   0.85191733  0.14229345  0.36675806
   0.58874214  0.43025775  0.12243250
   0.84202319  0.31333547  0.18265733
   0.62863457  0.16413134  0.50857871
   0.88771086  0.10765532  0.87458515
   0.56617745  0.44594758  0.61759681
   0.74459983  0.36313342  0.80666730
   0.57791966  0.69125811  0.00406479
   0.92063568  0.59833404  0.37675877
   0.57153828  0.92867305  0.12972445
   0.82257331  0.86566173  0.26008359
   0.65277485  0.64526495  0.45794585
   0.85103148  0.60970068  0.87977477
   0.61612038  0.89905385  0.62579144
   0.83692852  0.86654668  0.75891740
   0.05510724  0.07662276  0.10554201
   0.34521683  0.19973775  0.28799050
   0.10384969  0.32572681  0.01374344
   0.32973760  0.44708244  0.34389722
   0.51402379  0.38558543  0.21798471
   0.26094208  0.38038589  0.16194809
   0.26390060  0.12185310  0.46237163
   0.01857822  0.17722862  0.38314517
   0.03438495  0.07405882  0.56346480
   0.44328094  0.25778688  0.76008599
   0.13181250  0.32028504  0.54104699
   0.38653719  0.47583153  0.84753682
   0.41514447  0.47169256  0.65513862
   0.19550430  0.41751564  0.71796207
   0.28207668  0.23308721 -0.09671831
   0.03616465  0.12836343  0.90225876
   0.08224584  0.57596579  0.10579552
   0.36554355  0.70477964  0.28495135
   0.10417038  0.83273032  0.04796653
   0.37587513  0.94264584  0.35165320
   0.40766124  0.92833415  0.16886297
   0.16990830  0.88276603  0.23003925
   0.31994848  0.64112267  0.47081323
   0.07100534  0.62865682  0.41144527
   0.11977152  0.58348111  0.58553275
   0.30471159  0.68436665  0.76803801
   0.13954823  0.84520949  0.51682550
   0.36371122  1.00947179  0.79748690
   0.44780572  0.87410719  0.63728930
   0.18690382  0.91925915  0.68676272
   0.23232203  0.64123951 -0.04833307
  -0.00712702  0.63779658  0.93496011
   0.61958182  0.08409943  0.11522553
   0.79083082  0.22916495  0.27534762
   0.59099591  0.31901937  0.03720836
   0.90771598  0.43810493  0.35795020
   0.00176457  0.35474643  0.19357054
   0.73915547  0.43989065  0.15393968
   0.77351717  0.19062394  0.46150340
   0.52507307  0.11104167  0.42702635
   0.63430213  0.05155929  0.58990262
   0.81482886  0.21471628  0.79076178
   0.56678870  0.29932219  0.54610215
   0.85452130  0.45523911  0.84634229
   0.95612548  0.38348355  0.67037262
   0.67939077  0.41593109  0.70146370
   0.78598099  0.12383926  0.96837539
   0.51719567  0.11609076  0.92960338
   0.52316492  0.57490918  0.08238664
   0.87626628  0.71354218  0.29617965
   0.58551110  0.83747231  0.03855233
   0.83172017  0.97446641  0.34486719
   0.91101636  0.89120425  0.16592244
   0.66001730  0.87692306  0.22625707
   0.81624290  0.61090680  0.46514635
   0.54901495  0.56559069  0.39521910
   0.60120370  0.59341413  0.56381044
   0.84908163  0.69828303  0.78220780
   0.63323719  0.81152614  0.43624022
   0.88407369  0.94906078  0.84839632
   0.93356380  0.87336168  0.66450142
   0.67240508  0.91200806  0.74038510
   0.73440644  0.65343961  0.96021048
   0.47899327  0.70343614  0.91172954
   0.68862244  0.77621890  0.57847309
   0.61476913  0.82408874  0.35992411
   0.83505833  0.22609064  0.09949290
   0.98299483  0.40147633  0.32214157
   0.32635196  0.10748838  0.62467344
   0.23051062  0.76702581  0.76636307
  -0.00070464  1.14836314  0.12910720
   0.24468381  1.06324129  0.02158360
   0.62826348  0.35335251  0.87272354
   0.89108678  0.33656388  0.63534067
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887042    0.596668    0.033672
    -0.000000    9.862193    0.268874
    -0.000000    0.000000   13.953872
   Si   O    H 
    32    64    10
Direct configuration=   905
   0.16118486  0.17589830 -0.03065846
   0.38077456  0.09599966  0.38242821
   0.12129983  0.40876229  0.11571419
   0.36252355  0.35699943  0.25470696
   0.10604432  0.17247165  0.48530086
   0.40472952  0.15209998  0.84739781
   0.10367579  0.42703511  0.62201255
   0.35219824  0.40072583  0.74938165
   0.09390184  0.67423900  0.01436342
   0.38529297  0.59167521  0.37204276
   0.06630710  0.91810668  0.14253545
   0.32826565  0.86498462  0.25932358
   0.16633103  0.68021289  0.50431194
   0.35032046  0.63111949  0.87441891
   0.06721882  0.92150752  0.60544675
   0.33810929  0.97758603  0.68305412
   0.63233153  0.16786719  1.00506052
   0.85181095  0.14174188  0.36615941
   0.58850069  0.43039917  0.12258282
   0.84146486  0.31424892  0.18201914
   0.62755112  0.16301034  0.50845048
   0.88694847  0.10913914  0.87494750
   0.56430642  0.44525422  0.61803031
   0.74442295  0.36228537  0.80593829
   0.57781010  0.69064140  0.00515288
   0.92268127  0.59908867  0.37684814
   0.57212556  0.92797664  0.13065968
   0.82235007  0.86472875  0.26080919
   0.65267002  0.64603164  0.45787170
   0.85203782  0.61032551  0.87979267
   0.61526321  0.89809527  0.62562448
   0.83600849  0.86746031  0.75934953
   0.05601792  0.07839953  0.10596460
   0.34452851  0.20011431  0.28740151
   0.10205084  0.32517389  0.01406712
   0.32846468  0.44984396  0.34347479
   0.51263331  0.38435534  0.21811579
   0.26227820  0.38327408  0.16184158
   0.26359699  0.12229290  0.46159939
   0.01819992  0.17743614  0.38262493
   0.03581909  0.07283650  0.56410865
   0.44469837  0.25648696  0.76125367
   0.13019699  0.32016831  0.54047269
   0.38647538  0.47504526  0.84625734
   0.41607027  0.47233636  0.65501833
   0.19619814  0.41747657  0.71998781
   0.28326693  0.23228453 -0.09602496
   0.03577041  0.12888435  0.90286778
   0.08077450  0.57729401  0.10551212
   0.36619406  0.70412949  0.28439918
   0.10532962  0.83269490  0.04737619
   0.37568898  0.94319546  0.35201340
   0.40863705  0.92855160  0.16918040
   0.17078739  0.88347050  0.23041673
   0.32046804  0.64063152  0.47080743
   0.07427998  0.62694688  0.41266129
   0.11795408  0.58459844  0.58399598
   0.30366725  0.68499473  0.76785919
   0.14084742  0.84588521  0.51686127
   0.36235614  1.01055011  0.79753385
   0.44893754  0.87230496  0.63725714
   0.18611802  0.92115348  0.68659263
   0.23069419  0.64121315 -0.04775692
  -0.00814713  0.63554520  0.93327948
   0.61988453  0.08363259  0.11517348
   0.79055414  0.22971962  0.27486462
   0.59164034  0.32179519  0.03784766
   0.90674482  0.43628923  0.35659163
   0.00298800  0.35517887  0.19173294
   0.73727373  0.43963388  0.15655154
   0.77571134  0.18907648  0.46259002
   0.52403961  0.11224373  0.42525383
   0.63637563  0.05245951  0.59025139
   0.81640594  0.21365053  0.79017319
   0.56645714  0.29870654  0.54629729
   0.85437813  0.45618242  0.84760762
   0.95580255  0.38371141  0.67033838
   0.67862668  0.41697537  0.70143849
   0.78591513  0.12208208  0.96795167
   0.51522783  0.11562294  0.92928972
   0.52295241  0.57493386  0.08266887
   0.87693843  0.71381168  0.29635084
   0.58645763  0.83726198  0.03893091
   0.83105529  0.97388327  0.34414481
   0.91065474  0.89211915  0.16720336
   0.66078228  0.87518002  0.22676790
   0.81420113  0.61104159  0.46486261
   0.54786302  0.56375716  0.39578104
   0.60017302  0.59296531  0.56433933
   0.84875255  0.69670210  0.78115762
   0.63564207  0.81062904  0.43575193
   0.88491735  0.95043766  0.84873131
   0.93303760  0.87510679  0.66377131
   0.67225787  0.91227615  0.74186226
   0.73333322  0.65486536  0.95872284
   0.48155959  0.70549156  0.91107081
   0.68518556  0.78275831  0.58396136
   0.61623354  0.82021780  0.36413207
   0.83623052  0.22495842  0.09690092
   0.98217439  0.39895043  0.32111498
   0.31460446  0.11168810  0.62382820
   0.23544937  0.76186657  0.77058571
  -0.01507322  1.14881198  0.12941011
   0.24537396  1.05994680  0.02542611
   0.62025238  0.34777119  0.87009077
   0.88802675  0.34059500  0.63752406
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884883    0.597997    0.034730
    -0.000000    9.861950    0.270143
    -0.000000    0.000000   13.954750
   Si   O    H 
    32    64    10
Direct configuration=   906
   0.16141795  0.17592827 -0.03089263
   0.38045850  0.09726171  0.38278285
   0.12193569  0.40952055  0.11651049
   0.36288301  0.35640998  0.25426616
   0.10790392  0.17365516  0.48521909
   0.40484855  0.15197767  0.84711540
   0.10331230  0.42738482  0.62199247
   0.35369573  0.40032057  0.75085899
   0.09376665  0.67360469  0.01445661
   0.38500485  0.59155316  0.37144690
   0.06724870  0.91744219  0.14269914
   0.32855757  0.86473198  0.25859494
   0.16580627  0.67983046  0.50446539
   0.34998729  0.63176983  0.87466115
   0.06835594  0.92010328  0.60526938
   0.33791458  0.97584733  0.68299272
   0.63255972  0.16831606  1.00527746
   0.85223653  0.14107332  0.36560172
   0.58783440  0.43039136  0.12262175
   0.84108227  0.31490923  0.18105321
   0.62593004  0.16221827  0.50800140
   0.88545593  0.11089687  0.87550484
   0.56361054  0.44456498  0.61846202
   0.74383336  0.36134380  0.80529571
   0.57799501  0.69018620  0.00549435
   0.92428074  0.60032583  0.37682261
   0.57287216  0.92680486  0.13227321
   0.82230665  0.86375812  0.26164981
   0.65199677  0.64709309  0.45821619
   0.85372061  0.61122270  0.88020190
   0.61430426  0.89795873  0.62579404
   0.83496227  0.86854050  0.75980694
   0.05736057  0.08044916  0.10689708
   0.34448739  0.19999402  0.28694610
   0.10037841  0.32521796  0.01406742
   0.32638638  0.45206477  0.34345581
   0.51097708  0.38238521  0.21837668
   0.26411198  0.38632286  0.16168103
   0.26215740  0.12250611  0.46112629
   0.01832563  0.17725276  0.38233760
   0.03589205  0.07234373  0.56504263
   0.44570424  0.25459046  0.76295667
   0.12910485  0.31995285  0.53973772
   0.38652875  0.47422897  0.84557787
   0.41694476  0.47249036  0.65490647
   0.19638567  0.41855748  0.72163665
   0.28445935  0.23173030 -0.09568787
   0.03617251  0.12971176  0.90371563
   0.07972737  0.57865296  0.10562274
   0.36641602  0.70333881  0.28378089
   0.10620808  0.83223121  0.04725721
   0.37440241  0.94246332  0.35276646
   0.41094402  0.92829078  0.16871404
   0.17212404  0.88449930  0.23103600
   0.32092013  0.64065114  0.47042337
   0.07720871  0.62524389  0.41334778
   0.11595787  0.58414214  0.58329085
   0.30297610  0.68570434  0.76733515
   0.14215409  0.84672211  0.51699270
   0.36120865  1.01183436  0.79733146
   0.45028266  0.87079710  0.63655670
   0.18667116  0.92265822  0.68624493
   0.22872127  0.64168527 -0.04646740
  -0.00888011  0.63377743  0.93176241
   0.61946262  0.08371551  0.11505531
   0.79029698  0.23003034  0.27424259
   0.59232229  0.32365703  0.03854492
   0.90620962  0.43460859  0.35575575
   0.00462085  0.35557664  0.19003176
   0.73605129  0.44037330  0.15880612
   0.77727338  0.18820894  0.46322612
   0.52306798  0.11410665  0.42332090
   0.63836805  0.05273611  0.59089155
   0.81841449  0.21259455  0.78991604
   0.56646387  0.29946637  0.54638822
   0.85376983  0.45655443  0.84915726
   0.95663111  0.38447261  0.67042159
   0.67756068  0.41785176  0.70205174
   0.78569876  0.12132280  0.96794588
   0.51437720  0.11465834  0.92899969
   0.52221332  0.57476010  0.08278258
   0.87667289  0.71437826  0.29654352
   0.58694674  0.83795640  0.03872014
   0.82987231  0.97365803  0.34315347
   0.91116696  0.89283396  0.16867862
   0.66149211  0.87287127  0.22747177
   0.81345069  0.61130479  0.46480183
   0.54693178  0.56196293  0.39623578
   0.59943426  0.59204758  0.56511501
   0.84792982  0.69615515  0.78039914
   0.63770826  0.80978762  0.43455696
   0.88576987  0.95173883  0.84934111
   0.93273458  0.87694036  0.66386055
   0.67222447  0.91232481  0.74332667
   0.73214847  0.65611976  0.95729838
   0.48389350  0.70734127  0.91027791
   0.68295199  0.78895241  0.59137308
   0.61765714  0.81938224  0.37048209
   0.83992406  0.22289760  0.09500045
   0.98764544  0.39084219  0.31616431
   0.30838517  0.10944603  0.62452865
   0.24093790  0.75519861  0.77177527
  -0.02594478  1.14162775  0.12866496
   0.24489359  1.06096513  0.02514961
   0.61511416  0.34561437  0.86425894
   0.88095827  0.34348346  0.63525810
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882828    0.598427    0.035170
    -0.000000    9.862193    0.271870
    -0.000000    0.000000   13.955242
   Si   O    H 
    32    64    10
Direct configuration=   907
   0.16176581  0.17560214 -0.03078335
   0.37985550  0.09865695  0.38301919
   0.12231562  0.40997998  0.11691449
   0.36316742  0.35616596  0.25365029
   0.10985667  0.17454282  0.48512375
   0.40535248  0.15119018  0.84677357
   0.10265224  0.42742723  0.62174799
   0.35544199  0.39933298  0.75215714
   0.09347367  0.67344265  0.01418424
   0.38476734  0.59123683  0.37037785
   0.06811617  0.91750000  0.14289301
   0.32895892  0.86469906  0.25775454
   0.16551152  0.67970767  0.50439251
   0.34918663  0.63307673  0.87506628
   0.06927854  0.91919945  0.60541078
   0.33803669  0.97464441  0.68239998
   0.63271735  0.16878696  1.00552768
   0.85249783  0.14056907  0.36493198
   0.58741977  0.43050548  0.12261599
   0.84142736  0.31590011  0.17989655
   0.62407920  0.16162682  0.50699573
   0.88434216  0.11260192  0.87584739
   0.56278556  0.44391030  0.61887880
   0.74306149  0.36045626  0.80437581
   0.57870881  0.68982631  0.00525520
   0.92610073  0.60012555  0.37703696
   0.57304738  0.92575212  0.13418663
   0.82233621  0.86285233  0.26192991
   0.65201056  0.64807274  0.45894051
   0.85492640  0.61224937  0.88082189
   0.61350585  0.89767863  0.62647302
   0.83422194  0.86983253  0.76045251
   0.05989565  0.08224624  0.10791021
   0.34433766  0.20014456  0.28627534
   0.09855487  0.32575843  0.01397775
   0.32399766  0.45359807  0.34329528
   0.50927902  0.38044668  0.21887583
   0.26591881  0.38878247  0.16191756
   0.26036933  0.12238139  0.46046105
   0.01787978  0.17677182  0.38244285
   0.03598919  0.07197268  0.56597203
   0.44608334  0.25280666  0.76414822
   0.12809902  0.31974880  0.53908376
   0.38701586  0.47382166  0.84510950
   0.41775005  0.47277782  0.65459520
   0.19576773  0.41897764  0.72285205
   0.28563527  0.23148503 -0.09575505
   0.03661384  0.13030754  0.90460343
   0.07798538  0.57894930  0.10564912
   0.36670878  0.70304265  0.28331856
   0.10718438  0.83192804  0.04713803
   0.37249911  0.94175075  0.35323335
   0.41342491  0.92773594  0.16787105
   0.17342483  0.88575958  0.23139496
   0.32063877  0.64038729  0.47047030
   0.07942015  0.62408025  0.41327778
   0.11363787  0.58288209  0.58354851
   0.30364056  0.68603212  0.76675313
   0.14364856  0.84660270  0.51706465
   0.36049361  1.01289644  0.79728169
   0.45211981  0.86892158  0.63573723
   0.18663807  0.92419498  0.68578521
   0.22817836  0.64106260 -0.04522250
  -0.00959659  0.63298268  0.92991846
   0.61839828  0.08374116  0.11449275
   0.79001085  0.22970111  0.27354990
   0.59294471  0.32492154  0.03835499
   0.90624177  0.43349658  0.35477214
   0.00591907  0.35633032  0.18853829
   0.73621851  0.44168041  0.16098125
   0.77841229  0.18705370  0.46402340
   0.52272202  0.11567420  0.42167584
   0.64037742  0.05276264  0.59139940
   0.81956890  0.21138771  0.78957379
   0.56593213  0.30145027  0.54667666
   0.85363795  0.45619090  0.85116682
   0.95674738  0.38561351  0.66999342
   0.67735447  0.41831749  0.70214749
   0.78490234  0.12108614  0.96772145
   0.51430120  0.11389874  0.92959845
   0.52145380  0.57508719  0.08225404
   0.87611740  0.71397778  0.29665726
   0.58706549  0.83873888  0.03865662
   0.82968402  0.97460236  0.34218948
   0.91200948  0.89389191  0.16947555
   0.66148098  0.87075160  0.22799226
   0.81340279  0.61124343  0.46508978
   0.54645465  0.56052916  0.39649578
   0.59838408  0.59118043  0.56589590
   0.84739469  0.69702222  0.77976003
   0.63961969  0.80923183  0.43367076
   0.88656094  0.95254505  0.84981794
   0.93238959  0.87901163  0.66397586
   0.67249302  0.91168377  0.74402700
   0.73136618  0.65736005  0.95649456
   0.48499835  0.70791138  0.90970867
   0.68513615  0.78727057  0.59262029
   0.61552579  0.82446712  0.36710322
   0.84197454  0.22195524  0.09485728
   0.98488694  0.38707798  0.31472961
   0.30748527  0.10391983  0.62920060
   0.23194960  0.76334635  0.77111091
  -0.03176240  1.13131288  0.12613208
   0.23985565  1.06220309  0.02390593
   0.61312764  0.34357344  0.85956152
   0.88140440  0.35330802  0.63527380
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881019    0.599638    0.035453
    -0.000000    9.862665    0.273725
    -0.000000    0.000000   13.955470
   Si   O    H 
    32    64    10
Direct configuration=   908
   0.16244749  0.17577308 -0.03115632
   0.37865078  0.10002921  0.38310287
   0.12250915  0.41005926  0.11667436
   0.36267682  0.35625100  0.25304424
   0.11123441  0.17521275  0.48476798
   0.40545398  0.15011648  0.84711381
   0.10171258  0.42718160  0.62098457
   0.35662908  0.39814817  0.75282545
   0.09382092  0.67340650  0.01384615
   0.38497333  0.59120278  0.36950652
   0.06930515  0.91813321  0.14311417
   0.32983695  0.86445561  0.25742065
   0.16492176  0.67995829  0.50348807
   0.34801877  0.63460329  0.87499378
   0.07085042  0.91791988  0.60569033
   0.33764336  0.97310334  0.68170953
   0.63229954  0.16919340  1.00613127
   0.85302994  0.13974143  0.36424006
   0.58708598  0.43017914  0.12287112
   0.84199211  0.31656553  0.17873625
   0.62236764  0.16089685  0.50620328
   0.88347460  0.11439656  0.87652627
   0.56293047  0.44347505  0.61949251
   0.74243993  0.35939885  0.80365997
   0.57943445  0.68898829  0.00471753
   0.92780232  0.60011246  0.37702855
   0.57322808  0.92495877  0.13592832
   0.82204121  0.86218617  0.26202608
   0.65190973  0.64910212  0.45988077
   0.85542609  0.61315138  0.88127578
   0.61228064  0.89750436  0.62782154
   0.83347716  0.86989647  0.76092625
   0.06178009  0.08386351  0.10934392
   0.34457745  0.20010573  0.28611997
   0.09726795  0.32596940  0.01437987
   0.32226096  0.45477825  0.34299439
   0.50766377  0.37814082  0.21916911
   0.26761585  0.39154292  0.16177808
   0.25924147  0.12197582  0.46007729
   0.01689664  0.17599797  0.38252067
   0.03633216  0.07251492  0.56670142
   0.44628362  0.25146689  0.76501310
   0.12723997  0.31909833  0.53875555
   0.38741887  0.47333786  0.84523231
   0.41804002  0.47328342  0.65386893
   0.19540400  0.41844871  0.72336103
   0.28605822  0.23149724 -0.09560289
   0.03697023  0.13115788  0.90545068
   0.07744531  0.57930708  0.10623981
   0.36668105  0.70278244  0.28270322
   0.10774222  0.83242193  0.04698570
   0.37190504  0.94171898  0.35358554
   0.41611389  0.92698954  0.16688047
   0.17315330  0.88695760  0.23175532
   0.31987033  0.64032711  0.47085595
   0.08119779  0.62333403  0.41309234
   0.11094470  0.58141114  0.58412151
   0.30505491  0.68693664  0.76621315
   0.14497816  0.84577691  0.51734561
   0.36007983  1.01418998  0.79712945
   0.45394769  0.86713825  0.63480552
   0.18676030  0.92550797  0.68566663
   0.22817663  0.63973848 -0.04408871
  -0.00970049  0.63253400  0.92855593
   0.61674510  0.08345133  0.11346772
   0.78955302  0.22909182  0.27309721
   0.59414719  0.32514034  0.03786667
   0.90765499  0.43208743  0.35356106
   0.00600809  0.35653208  0.18715135
   0.73588967  0.44289864  0.16374126
   0.77936372  0.18598211  0.46436955
   0.52253499  0.11745143  0.42056662
   0.64229710  0.05270961  0.59123771
   0.82068382  0.21001513  0.78985099
   0.56508830  0.30372562  0.54694748
   0.85267137  0.45618804  0.85227861
   0.95633317  0.38704585  0.66975687
   0.67797704  0.41892203  0.70239607
   0.78440703  0.12128641  0.96789819
   0.51426652  0.11342058  0.93031832
   0.52073027  0.57597033  0.08147660
   0.87510879  0.71393891  0.29658385
   0.58694128  0.83954489  0.03904364
   0.83003033  0.97649780  0.34137526
   0.91269380  0.89571657  0.17086284
   0.66099525  0.86871036  0.22829053
   0.81381624  0.61165707  0.46530918
   0.54542665  0.55878956  0.39619215
   0.59800943  0.58985221  0.56628946
   0.84678614  0.69908152  0.77911583
   0.64168095  0.80933634  0.43340263
   0.88702976  0.95292550  0.84980750
   0.93226571  0.88006933  0.66455886
   0.67276344  0.91154046  0.74441713
   0.73054096  0.65826707  0.95577121
   0.48617063  0.70837864  0.90905486
   0.69591519  0.78170128  0.59210473
   0.60951584  0.83367233  0.36221417
   0.84453812  0.22203693  0.09568595
   0.97770413  0.38630252  0.31535589
   0.31152674  0.09654276  0.63499097
   0.22921494  0.76664109  0.76712089
  -0.02781792  1.11793927  0.12183711
   0.23614873  1.06182573  0.01848094
   0.61755326  0.33812131  0.85601172
   0.88093215  0.36606320  0.63413780
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879732    0.600875    0.036101
    -0.000000    9.863558    0.274856
    -0.000000    0.000000   13.955525
   Si   O    H 
    32    64    10
Direct configuration=   909
   0.16298357  0.17590670 -0.03127527
   0.37634803  0.10063547  0.38285469
   0.12229226  0.41009687  0.11682684
   0.36183845  0.35673867  0.25285398
   0.11119056  0.17502296  0.48464586
   0.40518861  0.14856287  0.84744768
   0.10079841  0.42677019  0.62042246
   0.35762551  0.39744964  0.75294324
   0.09476861  0.67374914  0.01320941
   0.38518758  0.59116727  0.36895521
   0.07061303  0.91835510  0.14293338
   0.33055872  0.86429880  0.25723140
   0.16376681  0.68027915  0.50203268
   0.34674454  0.63614637  0.87509152
   0.07173249  0.91646843  0.60602157
   0.33764649  0.97200106  0.68088859
   0.63222692  0.16954088  1.00764130
   0.85301497  0.13876002  0.36374166
   0.58686512  0.42955543  0.12293741
   0.84279739  0.31682149  0.17772228
   0.62107857  0.16044358  0.50581138
   0.88280145  0.11590706  0.87670079
   0.56333309  0.44296453  0.61939886
   0.74146212  0.35862003  0.80306182
   0.58058211  0.68829959  0.00385039
   0.92964204  0.59984280  0.37693635
   0.57309827  0.92456098  0.13722182
   0.82211216  0.86166649  0.26182700
   0.65155949  0.65012658  0.46111042
   0.85587476  0.61373700  0.88163510
   0.61139486  0.89745664  0.62894720
   0.83269326  0.86928997  0.76088299
   0.06393961  0.08378825  0.11113649
   0.34461675  0.19994051  0.28625896
   0.09711119  0.32600212  0.01532657
   0.32017371  0.45560222  0.34282297
   0.50668162  0.37699150  0.21945456
   0.26924985  0.39435926  0.16129572
   0.25896032  0.12222525  0.45974491
   0.01577886  0.17514064  0.38235384
   0.03659603  0.07270753  0.56744637
   0.44713425  0.25123884  0.76556966
   0.12652153  0.31804293  0.53833803
   0.38842219  0.47270384  0.84578207
   0.41713156  0.47346625  0.65318695
   0.19510852  0.41795629  0.72343682
   0.28563628  0.23124893 -0.09532888
   0.03652404  0.13183729  0.90629787
   0.07724682  0.57938055  0.10728605
   0.36648139  0.70293680  0.28205775
   0.10847631  0.83250791  0.04677837
   0.37250528  0.94139352  0.35431007
   0.41808872  0.92527154  0.16700244
   0.17331985  0.88779028  0.23232046
   0.31965802  0.64042670  0.47161002
   0.08232024  0.62170557  0.41264177
   0.10807126  0.58100362  0.58518430
   0.30563732  0.68878356  0.76574255
   0.14575526  0.84386106  0.51760539
   0.35961366  1.01568126  0.79704468
   0.45551275  0.86676857  0.63359109
   0.18698244  0.92677534  0.68577212
   0.22888828  0.63871124 -0.04332336
  -0.00903554  0.63249773  0.92797754
   0.61474217  0.08217770  0.11289258
   0.78895962  0.22882262  0.27271135
   0.59544080  0.32563029  0.03668894
   0.90889748  0.43050456  0.35284600
   0.00528219  0.35673910  0.18644016
   0.73618126  0.44521463  0.16591385
   0.78015353  0.18443968  0.46446103
   0.52306754  0.11939284  0.41975141
   0.64413524  0.05250769  0.59139828
   0.82180794  0.20875475  0.79038328
   0.56363062  0.30595119  0.54714803
   0.85186549  0.45557892  0.85267334
   0.95675032  0.38975927  0.66951081
   0.67906486  0.41915476  0.70237980
   0.78205632  0.12237873  0.96815996
   0.51463563  0.11280031  0.93115012
   0.52021566  0.57646805  0.08091386
   0.87403501  0.71369873  0.29655561
   0.58740032  0.84041594  0.03990831
   0.83028016  0.97818741  0.34125468
   0.91400109  0.89709166  0.17164554
   0.66083813  0.86765619  0.22871770
   0.81435986  0.61211872  0.46596464
   0.54541479  0.55799114  0.39552302
   0.59826694  0.58833855  0.56647262
   0.84608817  0.70138235  0.77851150
   0.64354259  0.80997925  0.43205542
   0.88678151  0.95328470  0.84945207
   0.93242256  0.88186485  0.66497473
   0.67325374  0.91045423  0.74473297
   0.73001607  0.65868249  0.95448222
   0.48561118  0.70833679  0.90873630
   0.70597149  0.77969454  0.59311974
   0.60680216  0.83923382  0.36565640
   0.84897499  0.22848376  0.09760781
   0.97362764  0.38721347  0.31496156
   0.31831860  0.09793833  0.64016474
   0.23433231  0.76055260  0.76280287
  -0.02968290  1.10941961  0.12211470
   0.23315279  1.06412220  0.01273069
   0.62143084  0.33552845  0.85461958
   0.87366971  0.37348207  0.62918542
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878363    0.601886    0.035871
    -0.000000    9.864484    0.276121
    -0.000000    0.000000   13.954586
   Si   O    H 
    32    64    10
Direct configuration=   910
   0.16308303  0.17620183 -0.03126686
   0.37433168  0.10142229  0.38153511
   0.12169570  0.41021760  0.11653840
   0.36133845  0.35681391  0.25302074
   0.11010052  0.17505438  0.48437163
   0.40473993  0.14694808  0.84776069
   0.10015335  0.42708804  0.62034864
   0.35835395  0.39757095  0.75305722
   0.09530003  0.67396747  0.01239857
   0.38623913  0.59188908  0.36890587
   0.07197969  0.91888362  0.14272169
   0.33211894  0.86457003  0.25707901
   0.16311021  0.68040525  0.50020140
   0.34578939  0.63776908  0.87461823
   0.07270977  0.91569423  0.60649370
   0.33847863  0.97105178  0.68099190
   0.63167730  0.16928320  1.00913934
   0.85330231  0.13773624  0.36323293
   0.58658143  0.42918938  0.12296578
   0.84345665  0.31727084  0.17674084
   0.62018585  0.16024246  0.50533727
   0.88241210  0.11689783  0.87682914
   0.56398512  0.44260879  0.61863984
   0.74000886  0.35863351  0.80271077
   0.58123342  0.68733973  0.00275356
   0.93127341  0.59976672  0.37707812
   0.57272408  0.92436762  0.13831240
   0.82214554  0.86148205  0.26123819
   0.65140999  0.65076298  0.46250244
   0.85511599  0.61473082  0.88099950
   0.61150200  0.89748457  0.63004612
   0.83217951  0.86871881  0.76121259
   0.06642141  0.08364417  0.11222091
   0.34412366  0.20002174  0.28654371
   0.09626781  0.32539319  0.01653666
   0.31824782  0.45606063  0.34245214
   0.50618404  0.37610444  0.21998136
   0.26988982  0.39786424  0.16116880
   0.25890957  0.12248790  0.45877882
   0.01405940  0.17458455  0.38252029
   0.03708111  0.07334284  0.56778329
   0.44703987  0.25168981  0.76582060
   0.12534275  0.31671170  0.53772516
   0.38950296  0.47241253  0.84667373
   0.41619451  0.47345052  0.65299639
   0.19454412  0.41621141  0.72331394
   0.28528485  0.23102396 -0.09522965
   0.03620243  0.13166110  0.90671691
   0.07761109  0.57893368  0.10822719
   0.36578484  0.70325578  0.28102010
   0.10836092  0.83260126  0.04664229
   0.37265778  0.94148490  0.35448009
   0.41925532  0.92307553  0.16741872
   0.17288843  0.88815439  0.23257181
   0.31922919  0.64027526  0.47234852
   0.08353515  0.62026190  0.41212576
   0.10647285  0.58047859  0.58658725
   0.30638448  0.69073591  0.76538371
   0.14533109  0.84216275  0.51771312
   0.35921366  1.01713249  0.79654008
   0.45632433  0.86648195  0.63242129
   0.18689231  0.92727373  0.68618929
   0.22966108  0.63771167 -0.04258126
  -0.00732528  0.63369957  0.92753795
   0.61217669  0.08059180  0.11201551
   0.78891441  0.22823932  0.27260713
   0.59722050  0.32629301  0.03496421
   0.91007156  0.42994774  0.35248320
   0.00457574  0.35748844  0.18639104
   0.73685686  0.44779128  0.16759554
   0.77988971  0.18304561  0.46413756
   0.52410997  0.12145619  0.41934518
   0.64634047  0.05269501  0.59160945
   0.82281270  0.20745473  0.79015580
   0.56209015  0.30812425  0.54748106
   0.85028352  0.45423904  0.85301283
   0.95666098  0.39203653  0.66924421
   0.68012783  0.41938512  0.70269366
   0.78001917  0.12400201  0.96828752
   0.51506542  0.11294590  0.93203941
   0.52001333  0.57668955  0.08067648
   0.87246532  0.71304167  0.29628145
   0.58774841  0.84078705  0.04075452
   0.83015582  0.97928135  0.34090992
   0.91474449  0.89812840  0.17199462
   0.66112696  0.86621449  0.22911074
   0.81552719  0.61197366  0.46681562
   0.54534612  0.55896562  0.39490880
   0.59871631  0.58708575  0.56670762
   0.84486569  0.70429692  0.77815359
   0.64500731  0.81131847  0.42996106
   0.88635784  0.95342148  0.84948367
   0.93305074  0.88366658  0.66497552
   0.67422521  0.90953728  0.74435960
   0.73002675  0.65843224  0.95298681
   0.48484886  0.70820170  0.90848317
   0.70961596  0.78431444  0.59319935
   0.60754577  0.84121255  0.37344210
   0.85184636  0.23437272  0.09861367
   0.98041823  0.38559402  0.30888208
   0.32750004  0.10639774  0.64154481
   0.23542231  0.75696889  0.75684733
  -0.03738783  1.10729622  0.12367868
   0.23415931  1.06269878  0.01048871
   0.62165678  0.33437262  0.85728851
   0.87727043  0.37854012  0.62852339
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876835    0.602875    0.035390
    -0.000000    9.865315    0.277839
    -0.000000    0.000000   13.953291
   Si   O    H 
    32    64    10
Direct configuration=   911
   0.16303127  0.17722053 -0.03132702
   0.37236636  0.10235250  0.37995788
   0.12099473  0.41020967  0.11616350
   0.36084657  0.35667051  0.25372468
   0.10839350  0.17567814  0.48384726
   0.40454531  0.14567888  0.84806875
   0.09950418  0.42718178  0.62047149
   0.35905607  0.39748470  0.75291116
   0.09635511  0.67380134  0.01178990
   0.38754343  0.59267431  0.36916566
   0.07229417  0.91921210  0.14238182
   0.33407162  0.86487875  0.25686087
   0.16258639  0.68043642  0.49899028
   0.34549282  0.63899606  0.87404616
   0.07330732  0.91527138  0.60723335
   0.33918684  0.97061521  0.68115358
   0.63171972  0.16859240  1.01023426
   0.85358355  0.13665785  0.36245813
   0.58636012  0.42929097  0.12325024
   0.84447416  0.31766559  0.17590311
   0.62011517  0.16047534  0.50493136
   0.88227537  0.11737391  0.87650873
   0.56475239  0.44200910  0.61769734
   0.73871313  0.35910614  0.80238837
   0.58170812  0.68626987  0.00148271
   0.93217286  0.59935179  0.37701657
   0.57241957  0.92447709  0.13905343
   0.82262019  0.86108095  0.26059152
   0.65153172  0.65143252  0.46408768
   0.85454796  0.61583577  0.88020653
   0.61175725  0.89772222  0.63083143
   0.83184759  0.86765418  0.76162669
   0.06804966  0.08334572  0.11345720
   0.34374435  0.20000263  0.28708238
   0.09540226  0.32483575  0.01786156
   0.31559500  0.45633343  0.34180770
   0.50629719  0.37562461  0.22032903
   0.26977863  0.40107410  0.16136765
   0.25875177  0.12260222  0.45717723
   0.01266077  0.17377068  0.38325687
   0.03707289  0.07444534  0.56788936
   0.44679544  0.25279400  0.76570147
   0.12480270  0.31545438  0.53757367
   0.39016064  0.47326360  0.84792280
   0.41502888  0.47323336  0.65347108
   0.19538918  0.41417094  0.72310743
   0.28536604  0.23100615 -0.09470187
   0.03577556  0.13070200  0.90714546
   0.07830930  0.57909535  0.10824647
   0.36567804  0.70413268  0.27975171
   0.10760892  0.83248739  0.04643987
   0.37211631  0.94145217  0.35430805
   0.41907871  0.92157679  0.16799797
   0.17236041  0.88836859  0.23273906
   0.31882585  0.64049112  0.47304838
   0.08455264  0.61886649  0.41118656
   0.10436365  0.58099665  0.58775640
   0.30736808  0.69231769  0.76479394
   0.14574790  0.83966894  0.51806195
   0.35937576  1.01783605  0.79584673
   0.45599338  0.86526005  0.63139134
   0.18624877  0.92765567  0.68680787
   0.23096062  0.63673039 -0.04177235
  -0.00587938  0.63408169  0.92772281
   0.60960966  0.07929995  0.11105194
   0.78954422  0.22749276  0.27222047
   0.59894630  0.32729928  0.03341626
   0.91162612  0.42923045  0.35264403
   0.00330906  0.35758563  0.18646278
   0.73822205  0.44997810  0.16983700
   0.78004433  0.18153192  0.46347151
   0.52498509  0.12305431  0.41828446
   0.64758588  0.05316005  0.59223774
   0.82327735  0.20604983  0.78968489
   0.56154571  0.31027589  0.54784416
   0.84801481  0.45297984  0.85309038
   0.95613632  0.39397803  0.66872763
   0.68064583  0.41945148  0.70314257
   0.77759644  0.12542967  0.96858358
   0.51591779  0.11284541  0.93240878
   0.51958236  0.57719131  0.08045121
   0.87178221  0.71241093  0.29581570
   0.58843740  0.84104367  0.04161276
   0.82984512  0.97966678  0.34050122
   0.91598968  0.89864792  0.17187276
   0.66184970  0.86456360  0.22923135
   0.81675389  0.61160755  0.46726853
   0.54541417  0.56061536  0.39395177
   0.59901903  0.58656682  0.56625763
   0.84399278  0.70604739  0.77841199
   0.64668864  0.81159690  0.42860186
   0.88571222  0.95323539  0.84976475
   0.93296449  0.88482254  0.66536197
   0.67421629  0.90875371  0.74353072
   0.73081406  0.65840396  0.95176777
   0.48380231  0.70731192  0.90822216
   0.71113569  0.79494364  0.59425937
   0.60010683  0.84727144  0.36975961
   0.85423946  0.23518298  0.09576278
   0.98548160  0.38724433  0.30394610
   0.33826885  0.11621561  0.64048853
   0.22758927  0.75906401  0.75044918
  -0.03131525  1.10572915  0.12333282
   0.23436804  1.05524672  0.00822544
   0.62318724  0.33320875  0.86300793
   0.88546295  0.38148643  0.62913969
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875034    0.604148    0.035033
    -0.000000    9.866089    0.279850
    -0.000000    0.000000   13.951404
   Si   O    H 
    32    64    10
Direct configuration=   912
   0.16328632  0.17810018 -0.03135231
   0.37112212  0.10357242  0.37855646
   0.12016598  0.40946145  0.11567577
   0.36007023  0.35660587  0.25423928
   0.10620129  0.17659847  0.48326979
   0.40429743  0.14509203  0.84867881
   0.09865107  0.42702007  0.62051169
   0.35966395  0.39727668  0.75305112
   0.09625270  0.67392983  0.01091087
   0.38852281  0.59288222  0.36969186
   0.07237378  0.91946573  0.14243029
   0.33576853  0.86471894  0.25666531
   0.16199181  0.67970739  0.49803892
   0.34548737  0.63949038  0.87345120
   0.07337683  0.91560432  0.60795128
   0.33913251  0.97037808  0.68189191
   0.63182523  0.16792088  1.01110162
   0.85383979  0.13559855  0.36210453
   0.58649081  0.42906890  0.12349967
   0.84500843  0.31796861  0.17533902
   0.62011634  0.16138285  0.50453375
   0.88171626  0.11746228  0.87620393
   0.56557403  0.44095447  0.61663162
   0.73811679  0.35950783  0.80199978
   0.58206386  0.68592893  0.00036121
   0.93246916  0.59879940  0.37690455
   0.57204547  0.92487937  0.13934614
   0.82281057  0.86098841  0.25995703
   0.65144960  0.65166160  0.46529981
   0.85413188  0.61694587  0.87948730
   0.61188807  0.89806922  0.63168893
   0.83261091  0.86720239  0.76234232
   0.06950092  0.08288066  0.11458852
   0.34358696  0.20091770  0.28755479
   0.09507233  0.32467581  0.01983096
   0.31319386  0.45663526  0.34072960
   0.50688390  0.37540774  0.22059836
   0.26984493  0.40339682  0.16176713
   0.25912586  0.12187953  0.45582387
   0.01244214  0.17345907  0.38378591
   0.03688986  0.07527754  0.56790771
   0.44653960  0.25331287  0.76554066
   0.12459200  0.31517193  0.53703087
   0.39073837  0.47468142  0.84861145
   0.41366077  0.47341242  0.65403199
   0.19650462  0.41173449  0.72234661
   0.28562668  0.23126417 -0.09449380
   0.03532446  0.12952579  0.90761707
   0.07956844  0.57891354  0.10764077
   0.36576985  0.70484138  0.27911346
   0.10636953  0.83171082  0.04650687
   0.37165744  0.94115971  0.35388054
   0.41890932  0.91980065  0.16878653
   0.17134887  0.88841242  0.23314419
   0.31868961  0.64107506  0.47355604
   0.08501892  0.61766234  0.41032403
   0.10218179  0.58255724  0.58860089
   0.30761575  0.69316512  0.76410150
   0.14636752  0.83714250  0.51793588
   0.35997544  1.01818131  0.79507475
   0.45466248  0.86384052  0.63045555
   0.18503966  0.92689004  0.68735968
   0.23248874  0.63561878 -0.04072330
  -0.00437431  0.63397816  0.92752384
   0.60638155  0.07779754  0.11002653
   0.78970560  0.22644402  0.27147819
   0.59943267  0.32872818  0.03172981
   0.91438341  0.42951207  0.35268289
   0.00161730  0.35701501  0.18661886
   0.73884563  0.45259226  0.17153024
   0.78024542  0.17957708  0.46340021
   0.52524649  0.12400053  0.41726090
   0.64826516  0.05337028  0.59317698
   0.82295280  0.20500424  0.78957518
   0.56166039  0.31136939  0.54782209
   0.84581558  0.45239893  0.85356085
   0.95691612  0.39652701  0.66817848
   0.68091896  0.41938290  0.70356788
   0.77602376  0.12699448  0.96886572
   0.51767983  0.11358217  0.93291708
   0.51957093  0.57713651  0.08018965
   0.87142697  0.71119986  0.29599975
   0.58940990  0.84119482  0.04212638
   0.83000084  0.97969255  0.34041672
   0.91796601  0.89933588  0.17170692
   0.66243419  0.86292802  0.22915055
   0.81804787  0.61152504  0.46759492
   0.54680101  0.56217731  0.39254392
   0.59893962  0.58665745  0.56537525
   0.84371166  0.70676395  0.77889485
   0.64792140  0.81199424  0.42713099
   0.88568446  0.95299137  0.84970748
   0.93270559  0.88633814  0.66592760
   0.67436119  0.90715937  0.74248099
   0.73174907  0.65786110  0.95072191
   0.48285295  0.70623820  0.90840602
   0.71239567  0.80337362  0.59259062
   0.59476229  0.84914591  0.36865881
   0.85452585  0.23366930  0.08992632
   0.98213876  0.39272014  0.30562821
   0.34896981  0.12126202  0.63638994
   0.22350740  0.75946690  0.74548945
  -0.02107243  1.10795773  0.12189020
   0.23321669  1.04934540  0.00993008
   0.62664722  0.33034527  0.86937869
   0.87986233  0.38019791  0.62448220
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873451    0.605769    0.034459
    -0.000000    9.866564    0.282025
    -0.000000    0.000000   13.949296
   Si   O    H 
    32    64    10
Direct configuration=   913
   0.16346721  0.17927965 -0.03111280
   0.37074363  0.10409304  0.37718780
   0.11888181  0.40936218  0.11503652
   0.35932492  0.35683039  0.25536775
   0.10391701  0.17748001  0.48267553
   0.40416242  0.14465889  0.84931686
   0.09807549  0.42639992  0.62062902
   0.35902144  0.39682897  0.75286854
   0.09604608  0.67392734  0.00999375
   0.38915583  0.59235900  0.36996941
   0.07242382  0.91970937  0.14217634
   0.33650970  0.86525247  0.25639301
   0.16116152  0.67872652  0.49684559
   0.34519617  0.63934157  0.87274806
   0.07311484  0.91599671  0.60852914
   0.33948675  0.97061302  0.68271881
   0.63174774  0.16697047  1.01189150
   0.85379599  0.13503676  0.36184490
   0.58657368  0.42880059  0.12387417
   0.84538937  0.31841620  0.17533116
   0.62076258  0.16263373  0.50419334
   0.88200337  0.11679539  0.87572824
   0.56605158  0.44032566  0.61542455
   0.73806054  0.35928196  0.80144539
   0.58244147  0.68645445 -0.00066806
   0.93254164  0.59793074  0.37709270
   0.57185277  0.92587099  0.13979944
   0.82270136  0.86149952  0.25931037
   0.65105005  0.65193848  0.46625290
   0.85285830  0.61753668  0.87882427
   0.61298624  0.89805764  0.63267280
   0.83317481  0.86639867  0.76274452
   0.07136576  0.08310167  0.11577816
   0.34425255  0.20232791  0.28792542
   0.09493610  0.32438249  0.02178491
   0.31078568  0.45677942  0.33978340
   0.50760074  0.37533913  0.22056963
   0.26901869  0.40558608  0.16249002
   0.25864577  0.12151840  0.45573309
   0.01185324  0.17306279  0.38403417
   0.03732186  0.07567439  0.56754753
   0.44586080  0.25348551  0.76532914
   0.12471077  0.31503941  0.53701588
   0.39040690  0.47643483  0.84984417
   0.41290329  0.47342006  0.65535347
   0.19766357  0.41000090  0.72186093
   0.28591726  0.23125336 -0.09440203
   0.03423393  0.12810119  0.90822532
   0.08090514  0.57864366  0.10679062
   0.36437313  0.70524160  0.27891109
   0.10435223  0.83117101  0.04693157
   0.37157660  0.94068754  0.35301617
   0.41891524  0.91821871  0.16910250
   0.17029604  0.88863591  0.23387540
   0.31891297  0.64156148  0.47446919
   0.08546224  0.61631949  0.40914704
   0.09974169  0.58413458  0.58907500
   0.30705774  0.69431984  0.76279106
   0.14705689  0.83438625  0.51813107
   0.36041860  1.01749785  0.79444923
   0.45312722  0.86327886  0.62980402
   0.18444521  0.92524938  0.68840737
   0.23551334  0.63505122 -0.04053973
  -0.00329236  0.63360729  0.92720205
   0.60387680  0.07702282  0.10901791
   0.78949870  0.22536674  0.27092272
   0.59943218  0.32967572  0.02977429
   0.91803827  0.43022776  0.35302724
  -0.00041423  0.35639282  0.18703476
   0.73914114  0.45484053  0.17274058
   0.77996868  0.17751556  0.46300402
   0.52471594  0.12521959  0.41607742
   0.64855426  0.05282425  0.59399003
   0.82191225  0.20420014  0.78961740
   0.56261298  0.31093702  0.54765857
   0.84385558  0.45232032  0.85405467
   0.95627828  0.39948712  0.66775804
   0.68063301  0.41932407  0.70353190
   0.77486000  0.12873889  0.96950967
   0.51875713  0.11414409  0.93335960
   0.52007361  0.57700126  0.07978153
   0.87108646  0.70969712  0.29676870
   0.59055565  0.84068271  0.04251009
   0.83000000  0.97897597  0.34030632
   0.92033649  0.89993756  0.17152242
   0.66340052  0.86050126  0.22913700
   0.81929988  0.61099557  0.46812972
   0.54807601  0.56311535  0.39121694
   0.59850129  0.58654161  0.56461084
   0.84271679  0.70671631  0.77999099
   0.64876353  0.81258910  0.42608400
   0.88513639  0.95285688  0.84962967
   0.93324229  0.88798025  0.66646064
   0.67353679  0.90627976  0.74187400
   0.73302684  0.65730313  0.94988708
   0.48246154  0.70500352  0.90861785
   0.71144787  0.80749856  0.59009807
   0.59261154  0.84957669  0.37213550
   0.85494632  0.23498619  0.08270665
   0.97853406  0.40226750  0.30719900
   0.35861738  0.11768868  0.63165087
   0.22569216  0.74894259  0.74609511
  -0.02389462  1.11911113  0.11814657
   0.23152577  1.04893217  0.01140890
   0.62884080  0.33366546  0.87186885
   0.87861604  0.37745374  0.62396316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871978    0.606861    0.033600
    -0.000000    9.866884    0.284182
    -0.000000    0.000000   13.947709
   Si   O    H 
    32    64    10
Direct configuration=   914
   0.16306836  0.18013598 -0.03082754
   0.37022594  0.10419044  0.37636281
   0.11746710  0.40957158  0.11432732
   0.35844873  0.35671921  0.25603037
   0.10120352  0.17844229  0.48206706
   0.40404942  0.14423297  0.85011789
   0.09778300  0.42486086  0.62115349
   0.35826875  0.39667960  0.75206325
   0.09552758  0.67376515  0.00945186
   0.39000321  0.59236485  0.37064777
   0.07206680  0.91997478  0.14155629
   0.33693337  0.86550313  0.25630669
   0.16049058  0.67723505  0.49624663
   0.34473101  0.63920719  0.87199326
   0.07268139  0.91673474  0.60898008
   0.33983528  0.97077317  0.68317710
   0.63212772  0.16568700  1.01244947
   0.85359158  0.13431888  0.36158148
   0.58694991  0.42874192  0.12438292
   0.84573320  0.31897155  0.17542740
   0.62225580  0.16377186  0.50415978
   0.88231526  0.11558426  0.87536561
   0.56714631  0.43961787  0.61415790
   0.73812115  0.35867393  0.80108684
   0.58270684  0.68679878 -0.00152426
   0.93258348  0.59649643  0.37747139
   0.57188622  0.92604888  0.13966234
   0.82283399  0.86202965  0.25894774
   0.65092732  0.65270129  0.46703070
   0.85140377  0.61809665  0.87801458
   0.61366618  0.89828525  0.63373495
   0.83402208  0.86570943  0.76305314
   0.07239438  0.08482378  0.11683684
   0.34483625  0.20429915  0.28807022
   0.09462811  0.32441694  0.02324476
   0.30901202  0.45721727  0.33864273
   0.50875271  0.37478520  0.21983510
   0.26800236  0.40802653  0.16275678
   0.25806873  0.12133164  0.45550231
   0.01172312  0.17274208  0.38357904
   0.03762180  0.07559060  0.56724492
   0.44511870  0.25396694  0.76486365
   0.12540190  0.31538747  0.53709301
   0.38978569  0.47778247  0.85113808
   0.41270981  0.47314957  0.65720443
   0.19826379  0.40799718  0.72120062
   0.28574806  0.23083305 -0.09470182
   0.03278904  0.12695485  0.90849650
   0.08208514  0.57867997  0.10572397
   0.36332257  0.70526884  0.27919428
   0.10275508  0.83124046  0.04679512
   0.37131633  0.94061437  0.35248241
   0.41945442  0.91747772  0.16948999
   0.16999290  0.88860207  0.23486157
   0.31957774  0.64244346  0.47519116
   0.08508300  0.61682809  0.40755134
   0.09824417  0.58555568  0.58872991
   0.30624376  0.69553098  0.76223027
   0.14858174  0.83229814  0.51818576
   0.36151492  1.01651354  0.79410533
   0.45105070  0.86336456  0.62968114
   0.18458720  0.92371458  0.68964989
   0.23940994  0.63445852 -0.04019216
  -0.00294853  0.63357383  0.92697950
   0.60071631  0.07603031  0.10855734
   0.78926836  0.22499886  0.27011769
   0.59916993  0.33033360  0.02864027
   0.92067333  0.43137482  0.35397004
  -0.00172526  0.35546172  0.18789804
   0.73883954  0.45772387  0.17352684
   0.77915194  0.17549906  0.46249789
   0.52392067  0.12534409  0.41459863
   0.64909935  0.05214066  0.59413905
   0.82070125  0.20389544  0.78892598
   0.56385080  0.31077569  0.54772107
   0.84158859  0.45257857  0.85449339
   0.95496382  0.40314220  0.66741059
   0.67982730  0.41979234  0.70327611
   0.77429281  0.13063374  0.96974447
   0.51946754  0.11518109  0.93417506
   0.52086547  0.57609875  0.07941075
   0.87128309  0.70873194  0.29719835
   0.59229669  0.84035941  0.04252686
   0.83075335  0.97794595  0.34024990
   0.92175961  0.90033734  0.17041180
   0.66346738  0.85877276  0.22867107
   0.82016211  0.61014762  0.46852625
   0.54942790  0.56373530  0.38999132
   0.59818737  0.58666535  0.56409317
   0.84196728  0.70657909  0.78065003
   0.64853245  0.81309069  0.42547391
   0.88393568  0.95262506  0.84982398
   0.93351695  0.88918933  0.66658062
   0.67243539  0.90595225  0.74179365
   0.73469281  0.65613014  0.94929083
   0.48212088  0.70435422  0.90835195
   0.71511885  0.80709577  0.58395819
   0.59304151  0.84896989  0.37797186
   0.85649278  0.23846337  0.07836745
   0.99036327  0.40467441  0.30028502
   0.36714966  0.10493663  0.62980098
   0.22493757  0.74256708  0.74579300
  -0.02533456  1.13253656  0.11509323
   0.22927037  1.05284224  0.01274860
   0.63322100  0.33773852  0.87176382
   0.88234878  0.37808870  0.62807520
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870689    0.608264    0.033170
    -0.000000    9.867385    0.286055
    -0.000000    0.000000   13.945960
   Si   O    H 
    32    64    10
Direct configuration=   915
   0.16310511  0.18103099 -0.03044027
   0.37013227  0.10360235  0.37585151
   0.11552372  0.40994133  0.11400885
   0.35747250  0.35698710  0.25646891
   0.09867577  0.17849061  0.48176302
   0.40396545  0.14434597  0.85080516
   0.09719078  0.42381305  0.62174955
   0.35719869  0.39708159  0.75134999
   0.09445603  0.67393069  0.00898323
   0.39013080  0.59283334  0.37170508
   0.07166810  0.92050350  0.14124983
   0.33761546  0.86579203  0.25648008
   0.16008128  0.67536046  0.49572424
   0.34428809  0.63844420  0.87157902
   0.07182464  0.91728570  0.60910082
   0.34001903  0.97108375  0.68403864
   0.63243680  0.16423329  1.01282187
   0.85372922  0.13378464  0.36137896
   0.58731894  0.42905499  0.12472769
   0.84564012  0.31936013  0.17532242
   0.62327855  0.16524460  0.50443620
   0.88276432  0.11426280  0.87490056
   0.56887120  0.43887110  0.61358576
   0.73890051  0.35743547  0.80113796
   0.58346045  0.68678558 -0.00224548
   0.93209250  0.59528558  0.37774864
   0.57271299  0.92555178  0.13959867
   0.82239768  0.86285116  0.25854352
   0.65011227  0.65338245  0.46758605
   0.84982965  0.61791485  0.87702397
   0.61469214  0.89810268  0.63508508
   0.83535519  0.86602999  0.76317235
   0.07288463  0.08641147  0.11736881
   0.34537692  0.20592614  0.28841970
   0.09485634  0.32399434  0.02378674
   0.30757455  0.45723077  0.33847975
   0.50997784  0.37439256  0.21893657
   0.26682061  0.41026229  0.16319458
   0.25590675  0.12140708  0.45559386
   0.01221574  0.17258280  0.38320916
   0.03803646  0.07554570  0.56621015
   0.44463506  0.25388070  0.76492597
   0.12624540  0.31659317  0.53742743
   0.38882153  0.47884286  0.85245700
   0.41241997  0.47306617  0.65833822
   0.19901951  0.40502139  0.72036250
   0.28427622  0.23037659 -0.09508316
   0.03134326  0.12543919  0.90920931
   0.08342076  0.57854654  0.10382917
   0.36259274  0.70532924  0.27960225
   0.10136114  0.83073826  0.04622862
   0.37130891  0.94151986  0.35177846
   0.41993624  0.91729946  0.16968938
   0.17042624  0.88800383  0.23533581
   0.31990855  0.64414731  0.47523322
   0.08461952  0.61720459  0.40614741
   0.09705331  0.58679718  0.58821765
   0.30687801  0.69635983  0.76197491
   0.14992231  0.83045089  0.51827643
   0.36257268  1.01508789  0.79377884
   0.44954066  0.86441864  0.62967370
   0.18479849  0.92165794  0.69037893
   0.24342796  0.63419564 -0.03983447
  -0.00285049  0.63365994  0.92627787
   0.59842450  0.07574228  0.10868346
   0.78925184  0.22562183  0.26894059
   0.59932464  0.33082397  0.02738516
   0.92273333  0.43285757  0.35470949
  -0.00194736  0.35451781  0.18910455
   0.73827047  0.45976297  0.17382602
   0.77784417  0.17378279  0.46178266
   0.52387194  0.12592800  0.41334864
   0.64944687  0.05127848  0.59327645
   0.82011848  0.20349448  0.78781714
   0.56463714  0.30968660  0.54754444
   0.84099592  0.45236752  0.85500608
   0.95248297  0.40614297  0.66758206
   0.67845305  0.41988747  0.70290403
   0.77414598  0.13259682  0.96997940
   0.51988945  0.11549903  0.93530315
   0.52246301  0.57522920  0.07913614
   0.87215512  0.70811481  0.29746237
   0.59472519  0.84045167  0.04239745
   0.83257268  0.97653967  0.34015288
   0.92275797  0.90005364  0.16946993
   0.66341078  0.85679722  0.22808783
   0.82106883  0.60907909  0.46829725
   0.55112656  0.56386420  0.38901933
   0.59804459  0.58698240  0.56389325
   0.84174358  0.70665231  0.78121053
   0.64803698  0.81319517  0.42535408
   0.88264300  0.95286634  0.84993676
   0.93417636  0.88978802  0.66642002
   0.67102681  0.90519738  0.74195648
   0.73645664  0.65492988  0.94943500
   0.48116106  0.70357656  0.90838570
   0.71326984  0.80810429  0.57891429
   0.58578176  0.85168301  0.37699019
   0.85724167  0.24730555  0.07899009
   0.99407698  0.41023961  0.29976543
   0.37375600  0.09056210  0.62797666
   0.21722708  0.74541064  0.74383635
  -0.01666999  1.14036287  0.11283970
   0.22829847  1.06307912  0.01430562
   0.63299682  0.34286249  0.87264293
   0.88244225  0.37420573  0.62864685
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869234    0.609402    0.032089
    -0.000000    9.868143    0.287330
    -0.000000    0.000000   13.944235
   Si   O    H 
    32    64    10
Direct configuration=   916
   0.16317217  0.18172012 -0.03042642
   0.37015333  0.10299637  0.37611274
   0.11342546  0.41038888  0.11373568
   0.35642669  0.35745291  0.25655773
   0.09669261  0.17782266  0.48167132
   0.40355460  0.14500178  0.85064359
   0.09747986  0.42343348  0.62302570
   0.35617326  0.39798833  0.75087041
   0.09317391  0.67423174  0.00844675
   0.39059621  0.59365740  0.37255166
   0.07192482  0.92108079  0.14093365
   0.33789404  0.86600222  0.25683023
   0.15986033  0.67354090  0.49551150
   0.34406620  0.63748225  0.87084162
   0.07079250  0.91746587  0.60929623
   0.34022476  0.97181312  0.68439826
   0.63248650  0.16350153  1.01273275
   0.85334838  0.13291061  0.36101690
   0.58761554  0.42913670  0.12499049
   0.84486918  0.32021788  0.17532417
   0.62450907  0.16644067  0.50430465
   0.88250724  0.11315530  0.87477701
   0.56992476  0.43818912  0.61323160
   0.73903508  0.35622446  0.80140318
   0.58418641  0.68654930 -0.00278955
   0.93080243  0.59368927  0.37795741
   0.57382853  0.92520195  0.13931397
   0.82220960  0.86328266  0.25792010
   0.64899739  0.65381112  0.46813443
   0.84861742  0.61717178  0.87587204
   0.61590887  0.89814279  0.63591504
   0.83608447  0.86670198  0.76338418
   0.07415072  0.08706161  0.11732316
   0.34631984  0.20766644  0.28821835
   0.09497079  0.32340719  0.02419638
   0.30679615  0.45719503  0.33884764
   0.51080077  0.37409603  0.21789858
   0.26543459  0.41216262  0.16349105
   0.25389998  0.12194112  0.45553839
   0.01245061  0.17263956  0.38251658
   0.03869990  0.07503991  0.56524165
   0.44466885  0.25480383  0.76513358
   0.12716262  0.31785951  0.53781976
   0.38880206  0.47989677  0.85439707
   0.41215931  0.47273404  0.65845444
   0.19799128  0.40237942  0.71956542
   0.28330210  0.22990869 -0.09552449
   0.02948999  0.12455897  0.90924806
   0.08417665  0.57785586  0.10202486
   0.36237765  0.70561376  0.27990127
   0.10012473  0.83026392  0.04560065
   0.37109829  0.94274722  0.35130891
   0.41909415  0.91745931  0.16948314
   0.17116252  0.88760864  0.23538188
   0.32119041  0.64558401  0.47452824
   0.08415236  0.61784064  0.40472052
   0.09606914  0.58764768  0.58725127
   0.30712650  0.69765163  0.76172827
   0.15065975  0.82942395  0.51840632
   0.36376055  1.01386382  0.79342089
   0.44929757  0.86461334  0.63009017
   0.18532261  0.91909171  0.69114231
   0.24724527  0.63382022 -0.03906816
  -0.00321489  0.63399515  0.92537364
   0.59658675  0.07665345  0.10873506
   0.78912160  0.22624448  0.26758654
   0.59992274  0.33096271  0.02662110
   0.92468349  0.43402275  0.35477104
  -0.00097408  0.35332360  0.18982118
   0.73767430  0.46122289  0.17341646
   0.77666923  0.17221117  0.46068787
   0.52313583  0.12732393  0.41237460
   0.65031829  0.05143160  0.59232703
   0.81971638  0.20329383  0.78652281
   0.56503532  0.30834459  0.54725023
   0.84047108  0.45308444  0.85520591
   0.95046914  0.40863349  0.66783857
   0.67638556  0.41968572  0.70223250
   0.77487518  0.13490297  0.97001764
   0.52061696  0.11580766  0.93590055
   0.52407359  0.57431456  0.07841093
   0.87340822  0.70846116  0.29719766
   0.59766684  0.84065762  0.04263374
   0.83481907  0.97509412  0.33979790
   0.92302093  0.89981980  0.16900519
   0.66318708  0.85535265  0.22743614
   0.82194322  0.60787275  0.46821661
   0.55208183  0.56322950  0.38753671
   0.59785445  0.58705498  0.56414886
   0.84190281  0.70741618  0.78170200
   0.64799626  0.81186612  0.42575317
   0.88185886  0.95249477  0.85017494
   0.93452955  0.89010755  0.66672653
   0.67060215  0.90552218  0.74196527
   0.73627634  0.65333791  0.95065864
   0.48021467  0.70321299  0.90851662
   0.70738191  0.80496888  0.57586483
   0.57886591  0.85504816  0.37583279
   0.85436972  0.25408559  0.07968649
   0.99044459  0.41607050  0.30593351
   0.37471870  0.08037798  0.62395691
   0.21639457  0.74756006  0.74585142
  -0.00708953  1.14108591  0.11218353
   0.22880116  1.06598850  0.01722181
   0.63154174  0.34604505  0.87211567
   0.87991035  0.36865831  0.62656935
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867591    0.610532    0.030638
    -0.000000    9.869033    0.288638
    -0.000000    0.000000   13.942346
   Si   O    H 
    32    64    10
Direct configuration=   917
   0.16244369  0.18206008 -0.03031456
   0.37043874  0.10207827  0.37632937
   0.11151327  0.41072507  0.11381856
   0.35582055  0.35848528  0.25676257
   0.09528971  0.17680611  0.48164262
   0.40366683  0.14564908  0.85051104
   0.09818445  0.42367093  0.62470417
   0.35490964  0.39942939  0.75051937
   0.09261228  0.67542236  0.00791113
   0.39054693  0.59385170  0.37347332
   0.07254895  0.92209600  0.14066538
   0.33777609  0.86669078  0.25716815
   0.15904215  0.67164670  0.49544118
   0.34328279  0.63710538  0.87008980
   0.06999328  0.91682041  0.60946672
   0.34039816  0.97209999  0.68455955
   0.63225542  0.16336089  1.01273911
   0.85325475  0.13172734  0.36089408
   0.58796033  0.42915337  0.12510780
   0.84326892  0.32057413  0.17529371
   0.62597347  0.16715345  0.50390694
   0.88138184  0.11184390  0.87513955
   0.57019359  0.43838666  0.61323513
   0.73942426  0.35607906  0.80119420
   0.58510633  0.68650059 -0.00329456
   0.92938229  0.59270418  0.37848531
   0.57475335  0.92444051  0.13934440
   0.82280906  0.86348817  0.25760010
   0.64842294  0.65411912  0.46837262
   0.84752989  0.61602665  0.87492167
   0.61641984  0.89751297  0.63624564
   0.83668400  0.86759085  0.76366762
   0.07502549  0.08701085  0.11719694
   0.34658833  0.21016671  0.28769679
   0.09510102  0.32350121  0.02425776
   0.30653011  0.45806290  0.33917072
   0.51201564  0.37354275  0.21755268
   0.26322723  0.41431454  0.16366929
   0.25104464  0.12248303  0.45571889
   0.01230469  0.17273104  0.38153465
   0.03883978  0.07457752  0.56493451
   0.44503813  0.25507750  0.76547516
   0.12774226  0.31759632  0.53873445
   0.38846252  0.48030703  0.85586573
   0.41295940  0.47166397  0.65795710
   0.19729653  0.40045464  0.71879693
   0.28275252  0.23001237 -0.09617499
   0.02926760  0.12357449  0.90912516
   0.08387066  0.57674773  0.10084146
   0.36326374  0.70533150  0.28086447
   0.09926204  0.83110843  0.04516466
   0.37074191  0.94440120  0.35044923
   0.41830796  0.91720032  0.16890002
   0.17203627  0.88763012  0.23548156
   0.32277128  0.64659166  0.47383968
   0.08406918  0.61801582  0.40302243
   0.09541931  0.58724924  0.58645115
   0.30652499  0.69878809  0.76136057
   0.15072507  0.82885442  0.51923970
   0.36466886  1.01329590  0.79357673
   0.44919868  0.86511512  0.63114552
   0.18608236  0.91739403  0.69184568
   0.25031178  0.63352697 -0.03824720
  -0.00360468  0.63474519  0.92402462
   0.59436193  0.07838454  0.10911555
   0.79057528  0.22650084  0.26593181
   0.60131601  0.33065550  0.02617952
   0.92614549  0.43511236  0.35532939
  -0.00007035  0.35269539  0.19023926
   0.73664488  0.46260491  0.17303820
   0.77495534  0.17075421  0.46017908
   0.52248424  0.12971840  0.41178642
   0.65047001  0.05275093  0.59143353
   0.81893612  0.20313816  0.78512457
   0.56592561  0.30686892  0.54669905
   0.83938329  0.45427557  0.85541779
   0.94820107  0.41059278  0.66847737
   0.67469025  0.41943640  0.70183171
   0.77622848  0.13663597  0.96999542
   0.52131866  0.11608677  0.93586555
   0.52569352  0.57341658  0.07760225
   0.87470183  0.70868210  0.29688960
   0.60022852  0.84013987  0.04296673
   0.83628561  0.97394611  0.33941975
   0.92208782  0.89891816  0.16918650
   0.66221910  0.85402827  0.22694967
   0.82249960  0.60610850  0.46764984
   0.55284465  0.56249048  0.38631725
   0.59747543  0.58670709  0.56399184
   0.84191782  0.70886508  0.78180933
   0.64783099  0.81067936  0.42601715
   0.88158655  0.95142969  0.85059836
   0.93424361  0.89014020  0.66745723
   0.67097460  0.90637862  0.74197884
   0.73504226  0.65253246  0.95246739
   0.47892393  0.70276193  0.90897516
   0.69808023  0.80383204  0.57584212
   0.58046428  0.85264735  0.37863958
   0.85226444  0.25998856  0.08237487
   0.99109945  0.41604454  0.30915602
   0.37443874  0.07779232  0.61723177
   0.22100194  0.74873951  0.74878924
  -0.00451169  1.14560941  0.11405111
   0.23444903  1.06597804  0.02247126
   0.62909100  0.34525459  0.87072175
   0.88589569  0.36686873  0.62610320
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865871    0.611596    0.029365
    -0.000000    9.869737    0.289928
    -0.000000    0.000000   13.940961
   Si   O    H 
    32    64    10
Direct configuration=   918
   0.16128795  0.18201331 -0.03047998
   0.37113019  0.10077028  0.37673745
   0.10930180  0.41134384  0.11426226
   0.35500191  0.36014774  0.25679700
   0.09409169  0.17624872  0.48171650
   0.40451810  0.14702084  0.85062938
   0.09871512  0.42386613  0.62605320
   0.35394423  0.40193714  0.75066676
   0.09204161  0.67708720  0.00753990
   0.39046240  0.59423577  0.37443216
   0.07313381  0.92283491  0.14036614
   0.33686216  0.86690995  0.25734089
   0.15851463  0.66944940  0.49542023
   0.34272749  0.63652229  0.86977195
   0.06885529  0.91611710  0.60986994
   0.34027222  0.97210165  0.68418892
   0.63127439  0.16303750  1.01316808
   0.85312258  0.13092638  0.36097836
   0.58847118  0.42880712  0.12497051
   0.84144214  0.32041802  0.17511838
   0.62733900  0.16737855  0.50328566
   0.88014016  0.11092367  0.87546858
   0.56976202  0.43897141  0.61285039
   0.73965150  0.35563031  0.80142447
   0.58622097  0.68687381 -0.00356780
   0.92744076  0.59136812  0.37870681
   0.57499741  0.92411237  0.13969784
   0.82324945  0.86365030  0.25722452
   0.64741359  0.65387556  0.46799425
   0.84719580  0.61452676  0.87411690
   0.61714529  0.89697332  0.63591670
   0.83732041  0.86868674  0.76354544
   0.07484650  0.08765805  0.11728810
   0.34688534  0.21140874  0.28748599
   0.09498171  0.32326826  0.02376200
   0.30674351  0.45910107  0.33943244
   0.51287910  0.37350135  0.21774399
   0.26156657  0.41527147  0.16407496
   0.24792528  0.12282474  0.45555597
   0.01183539  0.17245491  0.38034007
   0.03864279  0.07510296  0.56458324
   0.44522845  0.25419147  0.76583249
   0.12821845  0.31744250  0.53951116
   0.38740206  0.47985853  0.85673373
   0.41437258  0.47150193  0.65753304
   0.19657589  0.39901411  0.71808368
   0.28277632  0.23040181 -0.09671982
   0.03006607  0.12360927  0.90825105
   0.08362338  0.57531590  0.09944149
   0.36418736  0.70457572  0.28209377
   0.09857447  0.83206007  0.04498315
   0.37145455  0.94584919  0.34978140
   0.41846834  0.91703124  0.16834440
   0.17194429  0.88788501  0.23541529
   0.32422750  0.64633313  0.47377026
   0.08401755  0.61873394  0.40126627
   0.09547554  0.58658768  0.58586639
   0.30625209  0.70054095  0.76155260
   0.14983844  0.82847108  0.52038249
   0.36467651  1.01289941  0.79378371
   0.44983522  0.86522175  0.63215269
   0.18704274  0.91530087  0.69254761
   0.25310863  0.63395742 -0.03678553
  -0.00346633  0.63549116  0.92317263
   0.59261471  0.08059718  0.10916279
   0.79223786  0.22708618  0.26440846
   0.60277876  0.33038978  0.02610347
   0.92719442  0.43597184  0.35655240
   0.00136391  0.35278556  0.19120870
   0.73614225  0.46356763  0.17218984
   0.77299262  0.16834775  0.46035744
   0.52183743  0.13125023  0.41180697
   0.65006980  0.05469399  0.59057861
   0.81803864  0.20292585  0.78356824
   0.56704667  0.30556035  0.54559936
   0.83821504  0.45591779  0.85611296
   0.94635680  0.41255199  0.66914412
   0.67300251  0.41963366  0.70115942
   0.77834052  0.13739464  0.96992620
   0.52131046  0.11606550  0.93545479
   0.52618754  0.57225580  0.07607702
   0.87523559  0.70850116  0.29643850
   0.60328205  0.83897703  0.04274845
   0.83710987  0.97300481  0.33940838
   0.92052799  0.89875863  0.16950524
   0.66154931  0.85311143  0.22654855
   0.82331109  0.60582926  0.46745935
   0.55405295  0.56234427  0.38532011
   0.59742201  0.58603878  0.56423459
   0.84222229  0.71033113  0.78144238
   0.64717912  0.80875365  0.42682213
   0.88125557  0.95074615  0.85085163
   0.93415826  0.88974586  0.66807330
   0.67121851  0.90711251  0.74260808
   0.73369067  0.65117629  0.95443466
   0.47795340  0.70206310  0.90916947
   0.68623818  0.80320772  0.57804859
   0.58739850  0.84562292  0.38191601
   0.85080856  0.26314705  0.08349424
   0.99776545  0.41490725  0.30402202
   0.37158417  0.07984471  0.61000236
   0.22330903  0.75010547  0.75003263
  -0.00384276  1.14957616  0.11619238
   0.24368656  1.06576588  0.02622248
   0.62765357  0.34006004  0.86982661
   0.89084253  0.36706721  0.62715800
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.864408    0.612452    0.028006
    -0.000000    9.869984    0.291148
    -0.000000    0.000000   13.939854
   Si   O    H 
    32    64    10
Direct configuration=   919
   0.16034387  0.18174489 -0.03035526
   0.37157307  0.10005221  0.37744962
   0.10718208  0.41193788  0.11497869
   0.35381569  0.36152066  0.25627908
   0.09320048  0.17609178  0.48192773
   0.40635865  0.14807253  0.85070699
   0.09909221  0.42425593  0.62741476
   0.35314439  0.40395772  0.75108128
   0.09183415  0.67856843  0.00702187
   0.38988787  0.59451058  0.37503073
   0.07403223  0.92347207  0.14002092
   0.33565328  0.86675315  0.25752545
   0.15848222  0.66715022  0.49554318
   0.34243897  0.63616603  0.86940457
   0.06759202  0.91620058  0.60970126
   0.34031179  0.97217103  0.68340289
   0.63007432  0.16277205  1.01295948
   0.85266211  0.13073259  0.36079532
   0.58882643  0.42929537  0.12429488
   0.83947746  0.32014594  0.17505924
   0.62782748  0.16701590  0.50308337
   0.87949538  0.10932910  0.87558943
   0.56930086  0.43945720  0.61284783
   0.73968483  0.35531992  0.80174541
   0.58722945  0.68729434 -0.00354012
   0.92545529  0.59081850  0.37862010
   0.57534116  0.92397794  0.13969430
   0.82323345  0.86370925  0.25682082
   0.64672230  0.65340240  0.46758658
   0.84657678  0.61354149  0.87360023
   0.61782926  0.89631471  0.63538256
   0.83790101  0.87021510  0.76341634
   0.07520094  0.08819180  0.11751775
   0.34641722  0.21153100  0.28781957
   0.09493368  0.32253840  0.02305165
   0.30761934  0.46002596  0.33990779
   0.51351088  0.37358249  0.21826300
   0.26084140  0.41553875  0.16518657
   0.24520063  0.12337636  0.45517121
   0.01081240  0.17247110  0.37918419
   0.03791090  0.07558866  0.56420064
   0.44597459  0.25448348  0.76569124
   0.12861636  0.31825810  0.54027287
   0.38637006  0.47852877  0.85730890
   0.41594410  0.47158462  0.65662776
   0.19529542  0.39772070  0.71716622
   0.28282117  0.23142042 -0.09787022
   0.03130067  0.12355027  0.90736322
   0.08341460  0.57409459  0.09816346
   0.36486223  0.70301666  0.28362498
   0.09845607  0.83230634  0.04480502
   0.37231049  0.94773837  0.34940082
   0.41948335  0.91653595  0.16735668
   0.17174922  0.88869418  0.23611355
   0.32523688  0.64671199  0.47336379
   0.08331980  0.61940627  0.39982075
   0.09502700  0.58530824  0.58604385
   0.30622928  0.70166370  0.76136974
   0.14892231  0.82737994  0.52149566
   0.36451360  1.01252407  0.79420365
   0.45172142  0.86541922  0.63307161
   0.18764921  0.91391494  0.69331011
   0.25434351  0.63460258 -0.03520981
  -0.00373742  0.63638794  0.92222172
   0.59098165  0.08224549  0.10941063
   0.79458982  0.22702324  0.26317647
   0.60490604  0.32963684  0.02643973
   0.92837562  0.43614566  0.35688815
   0.00304273  0.35232032  0.19170738
   0.73580814  0.46462703  0.17175556
   0.77137916  0.16674480  0.46058216
   0.52191134  0.13258675  0.41250163
   0.65046707  0.05586244  0.58984257
   0.81689511  0.20292285  0.78233588
   0.56867670  0.30498256  0.54433249
   0.83690140  0.45711884  0.85621059
   0.94415148  0.41332058  0.67037415
   0.67155049  0.41922685  0.70063745
   0.78005550  0.13729498  0.96972987
   0.52131957  0.11646420  0.93506995
   0.52685302  0.57229899  0.07460984
   0.87493748  0.70849752  0.29557468
   0.60635601  0.83784770  0.04273748
   0.83772557  0.97169767  0.33949080
   0.91885132  0.89936452  0.16996096
   0.66143699  0.85238843  0.22599653
   0.82321427  0.60587138  0.46741907
   0.55572040  0.56295756  0.38502479
   0.59794219  0.58553403  0.56529582
   0.84330035  0.71083788  0.78149807
   0.64645848  0.80746274  0.42809817
   0.88093540  0.95115910  0.85084854
   0.93488090  0.88893564  0.66845306
   0.67249143  0.90744651  0.74287132
   0.73285805  0.65023385  0.95658133
   0.47800700  0.70190686  0.90886949
   0.67937375  0.79765975  0.58434890
   0.58505560  0.84505904  0.38077645
   0.85064263  0.26287251  0.08059504
   0.99729345  0.41520125  0.30499445
   0.36160644  0.08413864  0.60615235
   0.22101248  0.75535692  0.74795992
  -0.00869976  1.15166239  0.12066842
   0.24934169  1.07637793  0.02719327
   0.62789053  0.33820982  0.86672972
   0.88863913  0.36750341  0.62265793
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862819    0.614049    0.026099
    -0.000000    9.869754    0.292443
    -0.000000    0.000000   13.938421
   Si   O    H 
    32    64    10
Direct configuration=   920
   0.15925892  0.18173990 -0.03012321
   0.37210372  0.09989037  0.37827333
   0.10532256  0.41247131  0.11576695
   0.35268508  0.36352700  0.25561505
   0.09266709  0.17604603  0.48231942
   0.40805221  0.14894229  0.85081455
   0.09997457  0.42464037  0.62902077
   0.35246153  0.40587425  0.75160147
   0.09139727  0.68007643  0.00635511
   0.38920015  0.59471096  0.37551573
   0.07481339  0.92447843  0.13950633
   0.33428151  0.86609731  0.25832828
   0.15871077  0.66504486  0.49544409
   0.34154877  0.63639722  0.86881292
   0.06712277  0.91666133  0.60905669
   0.34083235  0.97214874  0.68252875
   0.62836427  0.16239386  1.01332616
   0.85320075  0.13090924  0.36073446
   0.58908505  0.42980006  0.12348614
   0.83794862  0.32068176  0.17544746
   0.62804269  0.16651183  0.50322324
   0.87913349  0.10768559  0.87611684
   0.56880872  0.44013298  0.61276806
   0.73972137  0.35517323  0.80200634
   0.58785062  0.68835601 -0.00335066
   0.92384303  0.59078527  0.37834258
   0.57557282  0.92346527  0.13969694
   0.82319463  0.86309269  0.25597559
   0.64601458  0.65292776  0.46717808
   0.84670125  0.61280702  0.87296353
   0.61780402  0.89640828  0.63445281
   0.83856565  0.87132818  0.76278760
   0.07500991  0.08869267  0.11813916
   0.34519881  0.21082551  0.28826943
   0.09478812  0.32190000  0.02204002
   0.30823532  0.46154943  0.34009879
   0.51403904  0.37359410  0.21875385
   0.26043386  0.41481614  0.16621973
   0.24276938  0.12383998  0.45475265
   0.00993549  0.17224965  0.37839446
   0.03696764  0.07505552  0.56427275
   0.44735789  0.25485971  0.76578323
   0.12791171  0.31907910  0.54067250
   0.38562231  0.47716932  0.85770957
   0.41696231  0.47184230  0.65601719
   0.19468638  0.39735052  0.71694620
   0.28218896  0.23330326 -0.09933556
   0.03264979  0.12329139  0.90673639
   0.08377474  0.57360789  0.09702855
   0.36505739  0.70263157  0.28550333
   0.09865140  0.83366028  0.04456735
   0.37265138  0.94887454  0.34870458
   0.41996746  0.91629944  0.16662182
   0.17169816  0.88945587  0.23656657
   0.32644260  0.64632277  0.47302339
   0.08298768  0.62015624  0.39841270
   0.09396421  0.58376494  0.58646086
   0.30646079  0.70193380  0.76070017
   0.14721191  0.82765307  0.52204191
   0.36449082  1.01175466  0.79498008
   0.45340908  0.86527987  0.63435159
   0.18743695  0.91310601  0.69379801
   0.25400832  0.63668537 -0.03338316
  -0.00507839  0.63720753  0.92154360
   0.59045250  0.08415318  0.10981046
   0.79634810  0.22628245  0.26229107
   0.60650446  0.32889608  0.02727801
   0.92919431  0.43606976  0.35654041
   0.00418146  0.35275054  0.19197495
   0.73567279  0.46523804  0.17077553
   0.77026848  0.16574226  0.46108832
   0.52178929  0.13339565  0.41326147
   0.65039670  0.05720141  0.58949755
   0.81579164  0.20277964  0.78174593
   0.56897717  0.30438844  0.54378612
   0.83580498  0.45756160  0.85594306
   0.94227536  0.41340421  0.67113844
   0.67054897  0.41896460  0.70012186
   0.78187361  0.13757657  0.96908878
   0.52092397  0.11673980  0.93462643
   0.52750527  0.57292058  0.07347704
   0.87553774  0.70813672  0.29457609
   0.60811041  0.83654676  0.04327586
   0.83829112  0.97160643  0.33979137
   0.91781491  0.89960118  0.16970943
   0.66163301  0.85201604  0.22596652
   0.82279226  0.60575358  0.46813636
   0.55682861  0.56423520  0.38470657
   0.59886923  0.58461497  0.56663065
   0.84438812  0.71090890  0.78122847
   0.64538545  0.80615317  0.42922602
   0.88076210  0.95291418  0.85142701
   0.93580240  0.88735156  0.66883636
   0.67469739  0.90801549  0.74333925
   0.73234767  0.64881204  0.95881482
   0.47849139  0.70168058  0.90869729
   0.68017966  0.78623584  0.59018807
   0.58054422  0.84732568  0.37877072
   0.85005755  0.25713929  0.07880553
   0.99166340  0.41572586  0.31089872
   0.35277548  0.08669276  0.60483784
   0.21936208  0.75972970  0.74619696
  -0.00931143  1.14878468  0.12729422
   0.25135725  1.08918006  0.02820367
   0.62907545  0.33807944  0.86360974
   0.88827434  0.37109718  0.61960548
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861124    0.615556    0.024368
    -0.000000    9.869038    0.293801
    -0.000000    0.000000   13.937020
   Si   O    H 
    32    64    10
Direct configuration=   921
   0.15803933  0.18202265 -0.03018429
   0.37236603  0.10031578  0.37890514
   0.10391074  0.41318636  0.11623809
   0.35137103  0.36549710  0.25523494
   0.09242017  0.17555066  0.48244011
   0.40983120  0.14921257  0.85044975
   0.09998226  0.42482084  0.63056718
   0.35153216  0.40865122  0.75222335
   0.09154673  0.68112547  0.00564163
   0.38855202  0.59462572  0.37550455
   0.07599220  0.92449424  0.13910861
   0.33283912  0.86491000  0.25909957
   0.15939801  0.66311899  0.49492051
   0.34085054  0.63682013  0.86848560
   0.06696037  0.91741125  0.60842650
   0.34191824  0.97205908  0.68228712
   0.62727986  0.16188524  1.01334378
   0.85439198  0.13067958  0.36069610
   0.58904537  0.43028863  0.12280461
   0.83685046  0.32149391  0.17562166
   0.62735887  0.16640399  0.50357404
   0.87886062  0.10646863  0.87675839
   0.56776623  0.44045015  0.61278017
   0.73967392  0.35454048  0.80242169
   0.58827957  0.68941339 -0.00310366
   0.92252419  0.59058009  0.37838287
   0.57634612  0.92264225  0.13969147
   0.82377776  0.86202009  0.25588525
   0.64592857  0.65244237  0.46632484
   0.84659451  0.61201718  0.87261391
   0.61716057  0.89675859  0.63346682
   0.83885480  0.87272671  0.76224030
   0.07420378  0.08964347  0.11926185
   0.34414381  0.20901862  0.28924809
   0.09495136  0.32101497  0.02058654
   0.30928276  0.46298535  0.34024858
   0.51337486  0.37404760  0.21952572
   0.25973816  0.41403768  0.16716271
   0.24193280  0.12337637  0.45428204
   0.00860938  0.17215361  0.37788602
   0.03652125  0.07501531  0.56418241
   0.44823913  0.25460963  0.76567936
   0.12737358  0.32005875  0.54103645
   0.38427715  0.47539367  0.85754931
   0.41718768  0.47172715  0.65532450
   0.19496826  0.39624894  0.71778714
   0.28177928  0.23579939 -0.10088702
   0.03406442  0.12325973  0.90611035
   0.08325567  0.57383895  0.09602788
   0.36558004  0.70258384  0.28675513
   0.09932623  0.83539369  0.04446934
   0.37330271  0.94960840  0.34837521
   0.42133728  0.91612641  0.16558605
   0.17098782  0.89007636  0.23657262
   0.32695178  0.64641175  0.47327235
   0.08304097  0.62183611  0.39707505
   0.09279551  0.58230058  0.58712166
   0.30656213  0.70268615  0.76025984
   0.14476053  0.82719132  0.52286233
   0.36387629  1.01066242  0.79573819
   0.45491444  0.86509191  0.63566212
   0.18770589  0.91255740  0.69363053
   0.25338231  0.63949781 -0.03173420
  -0.00598479  0.63793609  0.92088651
   0.59008417  0.08574962  0.11104433
   0.79779512  0.22549305  0.26149414
   0.60749366  0.32809573  0.02812546
   0.92874971  0.43618174  0.35706263
   0.00542472  0.35289199  0.19212343
   0.73637491  0.46491396  0.16979544
   0.77011973  0.16488548  0.46148924
   0.52163720  0.13400786  0.41427895
   0.64977725  0.05769872  0.58952100
   0.81523865  0.20233599  0.78185478
   0.56985734  0.30414496  0.54311036
   0.83555220  0.45782634  0.85558157
   0.93994813  0.41415925  0.67143094
   0.67047653  0.41865294  0.70053791
   0.78308408  0.13674451  0.96870201
   0.52148808  0.11671575  0.93497016
   0.52760447  0.57302769  0.07222653
   0.87629080  0.70805704  0.29355645
   0.61007713  0.83513451  0.04355050
   0.83834286  0.97235063  0.33978647
   0.91651830  0.90077852  0.16956202
   0.66224667  0.85119103  0.22582789
   0.82074739  0.60679817  0.46944427
   0.55792258  0.56559555  0.38445227
   0.60024186  0.58426185  0.56735853
   0.84519990  0.71061575  0.78137195
   0.64436968  0.80558393  0.42958501
   0.88016389  0.95404493  0.85186846
   0.93690324  0.88617685  0.66917307
   0.67753487  0.90904779  0.74416575
   0.73272036  0.64793798  0.96041642
   0.47902547  0.70204388  0.90889318
   0.68557166  0.77434673  0.59450582
   0.57867426  0.84657465  0.37973260
   0.85002508  0.24929835  0.08093112
   1.00060332  0.40488970  0.30855841
   0.34169644  0.08752569  0.60604997
   0.22251048  0.76389691  0.74423299
  -0.00726586  1.14341471  0.13431667
   0.24854518  1.09787787  0.03058701
   0.62817170  0.33900531  0.86389824
   0.89142968  0.37725782  0.61903744
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859608    0.617299    0.022444
    -0.000000    9.868707    0.294969
    -0.000000    0.000000   13.935624
   Si   O    H 
    32    64    10
Direct configuration=   922
   0.15729131  0.18173484 -0.03047867
   0.37242392  0.10095186  0.38006668
   0.10323660  0.41355786  0.11662086
   0.35075292  0.36744354  0.25481811
   0.09201069  0.17537700  0.48276086
   0.41173625  0.14917079  0.84965966
   0.09901370  0.42552771  0.63175543
   0.35091531  0.41103280  0.75274070
   0.09176540  0.68182464  0.00490129
   0.38805889  0.59465060  0.37556749
   0.07756330  0.92369078  0.13862303
   0.33174552  0.86377111  0.25958175
   0.15925998  0.66193155  0.49459902
   0.34054728  0.63777351  0.86855583
   0.06744889  0.91762560  0.60757268
   0.34246409  0.97240128  0.68193428
   0.62604224  0.16182337  1.01319255
   0.85549513  0.13078420  0.36045485
   0.58888708  0.43044403  0.12234441
   0.83627195  0.32244556  0.17585108
   0.62629730  0.16593871  0.50364705
   0.87840316  0.10584144  0.87751753
   0.56629196  0.44089345  0.61319121
   0.73989483  0.35433153  0.80258485
   0.58869611  0.68995631 -0.00300504
   0.92053092  0.59137760  0.37810208
   0.57690847  0.92195408  0.13891227
   0.82449738  0.86081110  0.25603257
   0.64606609  0.65221040  0.46515016
   0.84681708  0.61104249  0.87266210
   0.61694392  0.89723844  0.63268470
   0.83879756  0.87431054  0.76124348
   0.07348643  0.08988652  0.11955197
   0.34262596  0.20730208  0.28999018
   0.09509112  0.32074375  0.01927403
   0.31042922  0.46492345  0.34135065
   0.51305410  0.37385177  0.21985768
   0.25798089  0.41338313  0.16748866
   0.24113032  0.12315355  0.45325124
   0.00809790  0.17190179  0.37762985
   0.03554683  0.07549916  0.56377908
   0.44868269  0.25534943  0.76598239
   0.12622905  0.32076581  0.54095102
   0.38350076  0.47405261  0.85682254
   0.41724869  0.47184449  0.65488936
   0.19659303  0.39556950  0.71844702
   0.28089225  0.23830532 -0.10215303
   0.03555159  0.12343363  0.90538876
   0.08215651  0.57342165  0.09530243
   0.36501711  0.70334427  0.28796022
   0.09992513  0.83694556  0.04453359
   0.37402718  0.95031863  0.34822064
   0.42255660  0.91494771  0.16470589
   0.17102948  0.88962389  0.23600980
   0.32732239  0.64710509  0.47404186
   0.08317912  0.62394970  0.39647430
   0.09202600  0.58122812  0.58801803
   0.30648124  0.70216804  0.75983056
   0.14110453  0.82685789  0.52437854
   0.36256322  1.00979566  0.79692484
   0.45686322  0.86580605  0.63715902
   0.18699132  0.91184635  0.69356774
   0.25284917  0.64214544 -0.03094738
  -0.00652263  0.63904533  0.92097961
   0.58972860  0.08619009  0.11247024
   0.79892491  0.22383158  0.26120921
   0.60826101  0.32710868  0.02939736
   0.92863578  0.43546952  0.35735561
   0.00602237  0.35315513  0.19269445
   0.73763680  0.46413109  0.16846136
   0.77076161  0.16535299  0.46152180
   0.52257849  0.13478943  0.41546784
   0.64889672  0.05716525  0.59019214
   0.81405439  0.20205679  0.78173759
   0.57086875  0.30444161  0.54272469
   0.83527738  0.45842647  0.85530970
   0.93872340  0.41390541  0.67173785
   0.67126280  0.41796215  0.70121301
   0.78351957  0.13615747  0.96876943
   0.52184346  0.11606726  0.93533430
   0.52741231  0.57308152  0.07101923
   0.87709638  0.70869239  0.29257626
   0.61218811  0.83462547  0.04364913
   0.83822259  0.97245265  0.33986441
   0.91501689  0.90169375  0.16898824
   0.66267433  0.85063541  0.22561300
   0.81871659  0.60822326  0.47073273
   0.55995218  0.56753696  0.38445073
   0.60184843  0.58407260  0.56785019
   0.84526455  0.70927050  0.78140543
   0.64362839  0.80519451  0.42987333
   0.87972690  0.95376465  0.85241797
   0.93761013  0.88525269  0.66919990
   0.68002351  0.91088089  0.74524968
   0.73407342  0.64769155  0.96122724
   0.47998750  0.70261025  0.90862415
   0.69147286  0.76726657  0.59785450
   0.58248471  0.84420870  0.38142042
   0.84996172  0.24306248  0.08758704
   1.00450418  0.39509730  0.30848941
   0.32719239  0.09030137  0.61086577
   0.22848487  0.76794986  0.74219257
  -0.00955432  1.14195465  0.13907526
   0.24537811  1.10136203  0.03638842
   0.62358513  0.33791347  0.86146687
   0.89370329  0.38147274  0.61961932
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857561    0.619456    0.020089
    -0.000000    9.868195    0.296462
    -0.000000    0.000000   13.934312
   Si   O    H 
    32    64    10
Direct configuration=   923
   0.15719118  0.18180420 -0.03072425
   0.37195107  0.10233518  0.38114129
   0.10306250  0.41327659  0.11704345
   0.35055869  0.36885550  0.25427274
   0.09210666  0.17533688  0.48304252
   0.41364691  0.14924589  0.84938163
   0.09790553  0.42608181  0.63229534
   0.35055405  0.41236402  0.75286739
   0.09250428  0.68264591  0.00414820
   0.38831077  0.59417178  0.37498913
   0.07877320  0.92344533  0.13831646
   0.33033862  0.86301435  0.26002261
   0.15934697  0.66148062  0.49438748
   0.34010184  0.63865481  0.86873932
   0.06769632  0.91849115  0.60675757
   0.34259847  0.97251403  0.68199523
   0.62502853  0.16189221  1.01307312
   0.85602279  0.13053418  0.36051946
   0.58878703  0.43070137  0.12200347
   0.83603623  0.32332029  0.17605104
   0.62511086  0.16494147  0.50383480
   0.87871654  0.10537298  0.87789848
   0.56522142  0.44092501  0.61340427
   0.73965225  0.35397876  0.80284279
   0.58929358  0.69006491 -0.00336811
   0.91822142  0.59299250  0.37782374
   0.57767152  0.92152170  0.13795751
   0.82490227  0.85934152  0.25634687
   0.64673574  0.65140078  0.46431966
   0.84656171  0.61057666  0.87320009
   0.61725887  0.89850232  0.63179469
   0.83798089  0.87551165  0.76000005
   0.07203057  0.08912722  0.12011501
   0.34078857  0.20662155  0.29043915
   0.09523281  0.32110338  0.01800035
   0.31153398  0.46684414  0.34267887
   0.51144297  0.37398794  0.22001996
   0.25586674  0.41302524  0.16738273
   0.24091928  0.12354144  0.45314605
   0.00777695  0.17172084  0.37805179
   0.03489794  0.07553004  0.56388687
   0.44917738  0.25570179  0.76552788
   0.12518662  0.32144944  0.54048862
   0.38285427  0.47274700  0.85564378
   0.41679549  0.47228102  0.65460393
   0.19781296  0.39578750  0.71972326
   0.27946384  0.24068037 -0.10391830
   0.03719802  0.12336926  0.90487102
   0.08076611  0.57387640  0.09454513
   0.36419372  0.70465466  0.28851583
   0.10151660  0.83796740  0.04430921
   0.37492706  0.95106626  0.34808502
   0.42277539  0.91321197  0.16501033
   0.17057604  0.88854353  0.23556687
   0.32768166  0.64735270  0.47492735
   0.08269708  0.62589762  0.39549002
   0.09141992  0.58068647  0.58840925
   0.30623323  0.70145723  0.75975121
   0.13793451  0.82583724  0.52577957
   0.36225405  1.00916972  0.79879975
   0.45845991  0.86625199  0.63863428
   0.18666995  0.91106309  0.69368994
   0.25132829  0.64472170 -0.03050045
  -0.00670312  0.64052349  0.92065172
   0.58894017  0.08671995  0.11379649
   0.79934384  0.22143194  0.26094735
   0.60883379  0.32591187  0.03039851
   0.92955903  0.43475621  0.35713007
   0.00539461  0.35313408  0.19332182
   0.73830249  0.46316056  0.16762137
   0.77218588  0.16538789  0.46117797
   0.52346402  0.13481087  0.41664558
   0.64742314  0.05620959  0.59095117
   0.81352887  0.20127283  0.78188318
   0.57089562  0.30599211  0.54293606
   0.83503237  0.45801794  0.85528052
   0.93863736  0.41402195  0.67215985
   0.67240887  0.41718378  0.70141214
   0.78272899  0.13623101  0.96916885
   0.52239894  0.11598643  0.93504507
   0.52750919  0.57361446  0.07000498
   0.87827607  0.70878589  0.29217093
   0.61424941  0.83496495  0.04412875
   0.83813183  0.97222391  0.33986498
   0.91304376  0.90227042  0.16734990
   0.66399735  0.84948748  0.22599042
   0.81596298  0.61037152  0.47215134
   0.56169118  0.56916773  0.38428100
   0.60284416  0.58461972  0.56832923
   0.84502609  0.70879771  0.78070881
   0.64352788  0.80519337  0.42987475
   0.87846342  0.95355712  0.85271016
   0.93849483  0.88458356  0.66903894
   0.68192926  0.91350939  0.74552231
   0.73626783  0.64765737  0.96184254
   0.48085383  0.70288229  0.90798727
   0.69338556  0.76918332  0.60150381
   0.58403480  0.84072930  0.38307756
   0.84717163  0.23685743  0.09295354
   0.99959872  0.39172135  0.31606148
   0.31404861  0.09483638  0.61903704
   0.23435697  0.77180992  0.74075630
  -0.01028722  1.14045390  0.14140861
   0.24325855  1.10394299  0.03901647
   0.61970897  0.33912141  0.86073217
   0.88568309  0.38106347  0.61719415
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855561    0.622212    0.017798
    -0.000000    9.867737    0.298478
    -0.000000    0.000000   13.933057
   Si   O    H 
    32    64    10
Direct configuration=   924
   0.15734992  0.18308125 -0.03061111
   0.37125639  0.10404083  0.38259683
   0.10347211  0.41261666  0.11713108
   0.35095651  0.36958716  0.25362757
   0.09280535  0.17548494  0.48358546
   0.41512922  0.14921890  0.84977472
   0.09639135  0.42622705  0.63254733
   0.35063001  0.41321762  0.75269690
   0.09356735  0.68325906  0.00362687
   0.38996527  0.59391618  0.37447132
   0.07913434  0.92385857  0.13817794
   0.33001035  0.86271125  0.26045002
   0.15972775  0.66060098  0.49465124
   0.33932640  0.63917769  0.86906542
   0.06838419  0.91949053  0.60626877
   0.34273220  0.97248682  0.68280319
   0.62438563  0.16237050  1.01313713
   0.85633684  0.13088725  0.36055370
   0.58858973  0.43037399  0.12209143
   0.83650940  0.32396405  0.17609856
   0.62350403  0.16418934  0.50432772
   0.87950020  0.10536848  0.87844966
   0.56467151  0.44091188  0.61346082
   0.73931137  0.35346953  0.80295868
   0.58953700  0.69031031 -0.00393744
   0.91613515  0.59446235  0.37757540
   0.57815203  0.92203607  0.13680503
   0.82534271  0.85795606  0.25686209
   0.64763795  0.65043776  0.46347182
   0.84717015  0.61046527  0.87421426
   0.61767250  0.90013160  0.63132750
   0.83766980  0.87575701  0.75907004
   0.07091552  0.08901612  0.12113218
   0.33953298  0.20544787  0.29101878
   0.09432431  0.32218265  0.01670354
   0.31224718  0.46811650  0.34451255
   0.51046922  0.37393395  0.21973992
   0.25262874  0.41235050  0.16747682
   0.24066176  0.12394579  0.45313117
   0.00802084  0.17150144  0.37859465
   0.03385086  0.07499639  0.56435856
   0.44985596  0.25591997  0.76569125
   0.12401026  0.32136029  0.54006368
   0.38223806  0.47157368  0.85415903
   0.41672298  0.47339861  0.65430555
   0.19867416  0.39620425  0.72099705
   0.27859629  0.24257261 -0.10501336
   0.03834470  0.12375587  0.90375162
   0.07940132  0.57495722  0.09415909
   0.36288836  0.70607192  0.28915721
   0.10258301  0.83828167  0.04393676
   0.37619351  0.95146962  0.34755246
   0.42255064  0.91075989  0.16575886
   0.17100242  0.88675339  0.23534466
   0.32754167  0.64811194  0.47585414
   0.08184669  0.62795116  0.39466867
   0.09100658  0.58008100  0.58869643
   0.30570836  0.70121718  0.75990427
   0.13570000  0.82362217  0.52664951
   0.36178810  1.00861924  0.80050209
   0.46041743  0.86678134  0.63989531
   0.18667593  0.91025567  0.69436600
   0.25007722  0.64646400 -0.03017744
  -0.00672626  0.64157574  0.92093202
   0.58852510  0.08667053  0.11494422
   0.80018378  0.21836447  0.26059316
   0.60870985  0.32532839  0.03166661
   0.93020211  0.43458473  0.35691057
   0.00372181  0.35282696  0.19426051
   0.73866389  0.46218108  0.16620349
   0.77447095  0.16510836  0.46065636
   0.52476974  0.13478760  0.41759612
   0.64559105  0.05557050  0.59180204
   0.81314296  0.20071673  0.78259431
   0.57134485  0.30748389  0.54354002
   0.83451649  0.45750857  0.85583041
   0.93852760  0.41353877  0.67258765
   0.67322181  0.41637026  0.70141682
   0.78210186  0.13577683  0.96943225
   0.52201199  0.11604842  0.93421605
   0.52792901  0.57445560  0.07001273
   0.87786245  0.70873578  0.29165204
   0.61582596  0.83504149  0.04468730
   0.83804427  0.97182211  0.33948022
   0.91230834  0.90329213  0.16555054
   0.66505036  0.84817978  0.22656436
   0.81288909  0.61195202  0.47377429
   0.56287502  0.57110603  0.38415742
   0.60360194  0.58526193  0.56804596
   0.84485166  0.70791819  0.77987569
   0.64379812  0.80527739  0.43002410
   0.87718860  0.95307831  0.85271294
   0.93933766  0.88410156  0.66915130
   0.68296875  0.91467608  0.74537044
   0.73837807  0.64763333  0.96221037
   0.48155519  0.70320668  0.90800854
   0.69318450  0.77990088  0.60531473
   0.57644174  0.83986770  0.37928055
   0.84445426  0.23521428  0.09788220
   0.99460102  0.38876477  0.32508915
   0.30370327  0.09828755  0.62768696
   0.23882604  0.77581775  0.74212265
  -0.01330961  1.13722737  0.14188626
   0.24238291  1.10338312  0.04000884
   0.61466353  0.34190411  0.85963723
   0.87706320  0.38209364  0.61856302
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853573    0.624844    0.015488
    -0.000000    9.867758    0.300552
    -0.000000    0.000000   13.931866
   Si   O    H 
    32    64    10
Direct configuration=   925
   0.15811544  0.18468527 -0.03104460
   0.37135298  0.10557576  0.38436416
   0.10437287  0.41184800  0.11715847
   0.35162065  0.37001099  0.25336642
   0.09304119  0.17660464  0.48399677
   0.41561504  0.14870701  0.84998110
   0.09460984  0.42557501  0.63266118
   0.35037515  0.41357690  0.75220162
   0.09461918  0.68357357  0.00321701
   0.39218314  0.59362853  0.37452741
   0.07853633  0.92466710  0.13816693
   0.33001359  0.86319882  0.26097640
   0.16095257  0.65992949  0.49524229
   0.33921555  0.63969394  0.86957585
   0.06914118  0.92018224  0.60566526
   0.34259641  0.97284479  0.68349120
   0.62410211  0.16298773  1.01328808
   0.85617630  0.13170013  0.36035879
   0.58860817  0.43016384  0.12241787
   0.83713443  0.32419936  0.17607213
   0.62198549  0.16335285  0.50457962
   0.87988481  0.10583930  0.87869005
   0.56437269  0.44034995  0.61348362
   0.73904651  0.35279631  0.80296184
   0.58981468  0.69040166 -0.00428435
   0.91444280  0.59608430  0.37818240
   0.57809487  0.92255202  0.13594448
   0.82537107  0.85690663  0.25716814
   0.64833590  0.64913711  0.46278539
   0.84801035  0.61085777  0.87497614
   0.61847207  0.90212279  0.63126986
   0.83715089  0.87538261  0.75829872
   0.07069665  0.08830134  0.12211850
   0.33860814  0.20466175  0.29135377
   0.09274960  0.32383919  0.01539610
   0.31288111  0.46818051  0.34577110
   0.51014541  0.37285239  0.21929442
   0.25017986  0.41190043  0.16709922
   0.24120345  0.12403958  0.45245382
   0.00809810  0.17150037  0.37985858
   0.03219326  0.07423597  0.56455793
   0.44999487  0.25694178  0.76561852
   0.12334415  0.32010995  0.53996052
   0.38049887  0.47090135  0.85221673
   0.41658448  0.47468352  0.65392142
   0.19888631  0.39658511  0.72164846
   0.27810797  0.24383542 -0.10541026
   0.03890672  0.12420926  0.90326701
   0.07837426  0.57561633  0.09356386
   0.36196063  0.70682301  0.28959482
   0.10458428  0.83878861  0.04349594
   0.37773264  0.95114835  0.34761327
   0.42153285  0.90845631  0.16702017
   0.17204147  0.88583008  0.23496236
   0.32674797  0.64849034  0.47662809
   0.08171534  0.62978778  0.39439998
   0.09174385  0.58117817  0.58877620
   0.30564828  0.70089009  0.75984430
   0.13357433  0.82181324  0.52690509
   0.36144866  1.00842294  0.80223718
   0.46283195  0.86800549  0.64054152
   0.18695164  0.91025419  0.69465073
   0.24896169  0.64821207 -0.03033275
  -0.00652740  0.64304538  0.92149023
   0.58846446  0.08600163  0.11681002
   0.80085485  0.21554261  0.26106985
   0.60798439  0.32460220  0.03335204
   0.92987254  0.43472370  0.35711511
   0.00129073  0.35294720  0.19474120
   0.73968451  0.46090648  0.16434628
   0.77627616  0.16511826  0.45957384
   0.52525166  0.13465797  0.41813120
   0.64350681  0.05387003  0.59240756
   0.81292459  0.19991137  0.78367282
   0.57194842  0.30936316  0.54395818
   0.83408601  0.45529964  0.85621479
   0.93830781  0.41304305  0.67261651
   0.67442325  0.41592327  0.70116258
   0.78113860  0.13552517  0.96972681
   0.52195298  0.11568799  0.93303108
   0.52812112  0.57481319  0.07027774
   0.87702719  0.70802765  0.29172055
   0.61779192  0.83523822  0.04515973
   0.83883709  0.97176239  0.33950998
   0.91207276  0.90342087  0.16325411
   0.66646899  0.84687487  0.22717662
   0.80973658  0.61310541  0.47459080
   0.56320394  0.57221173  0.38372554
   0.60431852  0.58558442  0.56732718
   0.84422344  0.70688574  0.77940683
   0.64425707  0.80617922  0.42999371
   0.87629145  0.95211632  0.85216674
   0.94047482  0.88433948  0.66878727
   0.68328119  0.91572654  0.74482902
   0.74076813  0.64813743  0.96245073
   0.48266991  0.70335024  0.90775500
   0.69769266  0.79056619  0.60481589
   0.57300254  0.83641007  0.37852697
   0.84498434  0.23016287  0.09832533
   1.00940820  0.37648259  0.32688374
   0.29872409  0.10519270  0.63670004
   0.23798601  0.78215587  0.74304608
  -0.01426287  1.13660377  0.14257118
   0.24371672  1.10090686  0.03726644
   0.61314601  0.34384777  0.86176929
   0.87796046  0.38468863  0.62661914
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852067    0.627812    0.013000
    -0.000000    9.867540    0.302268
    -0.000000    0.000000   13.930496
   Si   O    H 
    32    64    10
Direct configuration=   926
   0.15925041  0.18536926 -0.03127630
   0.37159627  0.10652668  0.38602477
   0.10550434  0.41125060  0.11714101
   0.35193068  0.36988993  0.25310126
   0.09331383  0.17750910  0.48421799
   0.41562797  0.14746777  0.84970217
   0.09218291  0.42500790  0.63258393
   0.35045191  0.41342820  0.75167216
   0.09634791  0.68424772  0.00266821
   0.39459138  0.59354863  0.37457055
   0.07798970  0.92499581  0.13817363
   0.32950471  0.86400641  0.26104855
   0.16207264  0.65930364  0.49560137
   0.33894609  0.63964932  0.87037701
   0.06942877  0.92047583  0.60536722
   0.34242846  0.97382447  0.68428147
   0.62421106  0.16339618  1.01345168
   0.85587150  0.13284557  0.36020299
   0.58792601  0.42987494  0.12243880
   0.83750049  0.32397799  0.17625852
   0.62096351  0.16252028  0.50482076
   0.88035458  0.10672916  0.87884859
   0.56417065  0.44011204  0.61343012
   0.73846349  0.35227428  0.80314105
   0.59020793  0.69020676 -0.00426709
   0.91336999  0.59804993  0.37889841
   0.57735276  0.92349030  0.13580457
   0.82545239  0.85561696  0.25744757
   0.64923690  0.64802632  0.46240284
   0.84871247  0.61093497  0.87594080
   0.61966118  0.90454486  0.63143571
   0.83677591  0.87553169  0.75782527
   0.07133245  0.08735274  0.12278168
   0.33866898  0.20430567  0.29158134
   0.09062275  0.32582166  0.01452820
   0.31311966  0.46650048  0.34678262
   0.50980115  0.37166488  0.21880942
   0.24792960  0.41131216  0.16707795
   0.24150621  0.12384275  0.45181497
   0.00824688  0.17201502  0.38163921
   0.03121550  0.07349176  0.56509772
   0.45016106  0.25845666  0.76523865
   0.12326370  0.31803875  0.53971289
   0.37898842  0.47164018  0.85045652
   0.41606344  0.47547198  0.65365357
   0.19937190  0.39725503  0.72235225
   0.27722688  0.24448820 -0.10558239
   0.03986062  0.12405998  0.90257300
   0.07734884  0.57683957  0.09278992
   0.36114959  0.70754128  0.28982494
   0.10614351  0.83839417  0.04264061
   0.37959874  0.95087918  0.34787229
   0.42006822  0.90654900  0.16879114
   0.17289967  0.88424307  0.23398861
   0.32621827  0.64963578  0.47711640
   0.08170338  0.63154412  0.39468859
   0.09254220  0.58209475  0.58901281
   0.30480350  0.70025011  0.75993689
   0.13147716  0.82059258  0.52713280
   0.36129624  1.00872036  0.80394565
   0.46547621  0.86886815  0.64098014
   0.18714161  0.91063800  0.69473794
   0.24857075  0.64992903 -0.03110099
  -0.00638627  0.64507730  0.92211939
   0.58883558  0.08530654  0.11828233
   0.80142209  0.21356590  0.26149540
   0.60738226  0.32461300  0.03505034
   0.93042275  0.43407307  0.35704436
  -0.00119613  0.35325364  0.19544801
   0.74092819  0.45960828  0.16259357
   0.77772126  0.16390399  0.45827307
   0.52542049  0.13423271  0.41847988
   0.64184646  0.05173315  0.59298291
   0.81263110  0.19953491  0.78468419
   0.57277720  0.31133942  0.54413232
   0.83457010  0.45293641  0.85660647
   0.93851279  0.41282354  0.67236314
   0.67511587  0.41573036  0.70088730
   0.77971786  0.13472498  0.97029374
   0.52107949  0.11534585  0.93232140
   0.52917896  0.57472173  0.07053794
   0.87591252  0.70689113  0.29218104
   0.61947590  0.83569931  0.04579697
   0.83994037  0.97131096  0.33930858
   0.91188551  0.90325419  0.16142344
   0.66808118  0.84621966  0.22704297
   0.80698893  0.61405330  0.47512470
   0.56299376  0.57236467  0.38314688
   0.60428545  0.58688377  0.56626152
   0.84305549  0.70619366  0.77896612
   0.64458458  0.80741114  0.43004297
   0.87505501  0.95115905  0.85194053
   0.94084593  0.88384992  0.66848476
   0.68299712  0.91737203  0.74392660
   0.74303071  0.64836944  0.96239774
   0.48416214  0.70373221  0.90696965
   0.70541302  0.79331126  0.60130635
   0.57675512  0.82913948  0.38356712
   0.84644730  0.22640970  0.09590189
   1.01685516  0.37170794  0.33102599
   0.30032696  0.11150457  0.64259912
   0.23883011  0.78527814  0.74487085
  -0.01490588  1.13590099  0.14033104
   0.24603584  1.09582924  0.03481869
   0.61387725  0.34532058  0.86606958
   0.87170489  0.38795791  0.63060852
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.849989    0.630858    0.010338
    -0.000000    9.867327    0.303787
    -0.000000    0.000000   13.929431
   Si   O    H 
    32    64    10
Direct configuration=   927
   0.15969131  0.18576771 -0.03181925
   0.37146497  0.10779340  0.38722219
   0.10632961  0.41014164  0.11651513
   0.35228806  0.36953306  0.25293706
   0.09354336  0.17839469  0.48494592
   0.41520599  0.14674712  0.84952653
   0.08944962  0.42395812  0.63202187
   0.35090711  0.41284721  0.75141758
   0.09747111  0.68438244  0.00249875
   0.39625543  0.59378761  0.37436877
   0.07695935  0.92490676  0.13827706
   0.32896571  0.86470539  0.26077106
   0.16256121  0.65893324  0.49604825
   0.33959268  0.63973648  0.87131716
   0.07016716  0.92135665  0.60553006
   0.34224595  0.97507057  0.68558188
   0.62427131  0.16346905  1.01334728
   0.85535201  0.13415896  0.35998174
   0.58747444  0.42993462  0.12227566
   0.83824166  0.32357353  0.17671017
   0.62011490  0.16145754  0.50513292
   0.88063438  0.10775081  0.87925362
   0.56415609  0.43974118  0.61358028
   0.73689254  0.35269704  0.80323379
   0.59068957  0.69038786 -0.00471929
   0.91337191  0.59902074  0.37963739
   0.57657747  0.92460061  0.13578841
   0.82570718  0.85475235  0.25789693
   0.64985662  0.64691108  0.46213110
   0.84895819  0.61078683  0.87709936
   0.62098101  0.90667476  0.63161654
   0.83672413  0.87425402  0.75758344
   0.07163321  0.08700980  0.12389449
   0.33773151  0.20480578  0.29177785
   0.08895706  0.32767327  0.01477045
   0.31343852  0.46440013  0.34770884
   0.51001877  0.37121390  0.21796435
   0.24633749  0.41081740  0.16671448
   0.24218392  0.12382800  0.45124517
   0.00800014  0.17211008  0.38311070
   0.03091839  0.07243775  0.56573271
   0.44952527  0.26036869  0.76424786
   0.12319087  0.31564792  0.53946713
   0.37696038  0.47372839  0.84944776
   0.41485753  0.47656833  0.65306135
   0.19886449  0.39766975  0.72295201
   0.27555698  0.24415748 -0.10530837
   0.04120335  0.12438194  0.90203639
   0.07559736  0.57801949  0.09180964
   0.36027913  0.70825706  0.29001392
   0.10717612  0.83769986  0.04202069
   0.38088435  0.95055275  0.34824940
   0.41830195  0.90550148  0.17034893
   0.17344317  0.88258213  0.23312949
   0.32605273  0.65117720  0.47766170
   0.08151677  0.63299488  0.39545422
   0.09251975  0.58338589  0.58921263
   0.30447006  0.70002319  0.75994592
   0.12949924  0.82002051  0.52619861
   0.36184997  1.00854902  0.80565429
   0.46721746  0.87095079  0.64184364
   0.18728602  0.91232579  0.69453701
   0.24785835  0.65071647 -0.03195138
  -0.00605699  0.64679515  0.92219188
   0.59019176  0.08495512  0.11928615
   0.80187334  0.21150722  0.26204777
   0.60648149  0.32413859  0.03687389
   0.93118382  0.43339349  0.35655581
  -0.00401861  0.35376168  0.19638090
   0.74170425  0.45820226  0.16097496
   0.77909305  0.16326920  0.45752309
   0.52497487  0.13353881  0.41906407
   0.64002395  0.05058793  0.59272242
   0.81284124  0.19858279  0.78547968
   0.57343536  0.31343928  0.54417884
   0.83507841  0.45103201  0.85720704
   0.93942536  0.41303173  0.67262627
   0.67533304  0.41493977  0.69991653
   0.77856430  0.13333911  0.97032086
   0.52103108  0.11465380  0.93185898
   0.53037377  0.57501827  0.07032360
   0.87476564  0.70569488  0.29238578
   0.62076087  0.83634747  0.04617164
   0.83987080  0.97079525  0.33859869
   0.91174540  0.90327879  0.16024182
   0.66926929  0.84580026  0.22618342
   0.80550817  0.61489556  0.47479592
   0.56291541  0.57273555  0.38225302
   0.60349903  0.58732139  0.56538864
   0.84112858  0.70573113  0.77805012
   0.64528312  0.80808392  0.42983110
   0.87438934  0.94955776  0.85212795
   0.94161610  0.88323487  0.66834760
   0.68242622  0.91882215  0.74290006
   0.74498880  0.64848692  0.96204142
   0.48553967  0.70440013  0.90562486
   0.71358892  0.79511027  0.59633794
   0.57648729  0.82788864  0.38611272
   0.84767429  0.22436508  0.09194237
   1.01327841  0.37821243  0.33832666
   0.30500760  0.11768158  0.64584563
   0.24236964  0.78070537  0.74998122
  -0.01482902  1.13384888  0.13778593
   0.24872412  1.09200192  0.03005884
   0.62013808  0.34522703  0.86778236
   0.85693468  0.38802256  0.62988206
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847826    0.633926    0.007847
    -0.000000    9.866656    0.305707
    -0.000000    0.000000   13.928618
   Si   O    H 
    32    64    10
Direct configuration=   928
   0.16020593  0.18650328 -0.03210564
   0.37085407  0.10846810  0.38757688
   0.10648280  0.40964479  0.11593846
   0.35170187  0.36918838  0.25236812
   0.09333740  0.18023999  0.48531945
   0.41389799  0.14622447  0.84949008
   0.08751493  0.42276829  0.63094406
   0.35180954  0.41184901  0.75119608
   0.09894958  0.68474206  0.00224438
   0.39782589  0.59409516  0.37439766
   0.07623086  0.92432465  0.13815762
   0.32887433  0.86592710  0.26042811
   0.16346669  0.65883482  0.49650981
   0.34003374  0.63959350  0.87242943
   0.07077308  0.92138977  0.60535403
   0.34225485  0.97614245  0.68703837
   0.62460078  0.16360422  1.01273894
   0.85536450  0.13474160  0.35977329
   0.58677665  0.42970978  0.12251385
   0.83995383  0.32202858  0.17682650
   0.61943382  0.16100054  0.50588681
   0.88063204  0.10862055  0.87980950
   0.56350421  0.43927039  0.61361277
   0.73515956  0.35259523  0.80310359
   0.59237721  0.69067218 -0.00547208
   0.91335581  0.59981808  0.38059021
   0.57568287  0.92537566  0.13595765
   0.82649935  0.85442304  0.25847924
   0.65005042  0.64657248  0.46177081
   0.84947247  0.61127527  0.87822973
   0.62227496  0.90838284  0.63176488
   0.83630493  0.87266580  0.75721411
   0.07169897  0.08649547  0.12445637
   0.33671786  0.20542360  0.29220196
   0.08731578  0.32913009  0.01491686
   0.31335523  0.46304885  0.34824380
   0.50937467  0.37084642  0.21655667
   0.24561269  0.41057849  0.16715295
   0.24267676  0.12360149  0.45072161
   0.00848150  0.17310366  0.38469859
   0.03034978  0.07224153  0.56624783
   0.44877791  0.26280628  0.76280483
   0.12332404  0.31359280  0.53920320
   0.37518032  0.47668507  0.84912631
   0.41324440  0.47740285  0.65279665
   0.19732025  0.39876415  0.72306004
   0.27383382  0.24357704 -0.10609880
   0.04233241  0.12440481  0.90155182
   0.07397065  0.57941963  0.09038839
   0.35909577  0.70885321  0.29032611
   0.10686946  0.83643371  0.04179924
   0.38218068  0.95010579  0.34877563
   0.41703518  0.90439665  0.17181645
   0.17306104  0.88188025  0.23227947
   0.32516735  0.65243982  0.47768563
   0.08083379  0.63389238  0.39606088
   0.09316108  0.58453842  0.58921314
   0.30390165  0.69842420  0.76035547
   0.12776825  0.82046702  0.52533499
   0.36267151  1.00864601  0.80733256
   0.46849405  0.87306226  0.64272876
   0.18738186  0.91454137  0.69402619
   0.24833968  0.65198158 -0.03225247
  -0.00627887  0.64842879  0.92213328
   0.59248986  0.08444442  0.11946683
   0.80227590  0.21081052  0.26241234
   0.60511659  0.32344627  0.03888458
   0.93223162  0.43245890  0.35630611
  -0.00607548  0.35414497  0.19695630
   0.74226028  0.45761699  0.15978010
   0.77930425  0.16230557  0.45757964
   0.52469407  0.13222124  0.41975354
   0.63863497  0.05095763  0.59251037
   0.81202696  0.19789591  0.78659707
   0.57436979  0.31519139  0.54375937
   0.83552318  0.44915032  0.85819984
   0.94009929  0.41316082  0.67236049
   0.67562388  0.41388807  0.69930692
   0.77741083  0.13261434  0.97025505
   0.52129448  0.11444071  0.93117740
   0.53165516  0.57452537  0.06989475
   0.87396898  0.70346950  0.29305898
   0.62219931  0.83731381  0.04577911
   0.83983334  0.97043430  0.33754474
   0.91148748  0.90351444  0.15941183
   0.66976166  0.84564916  0.22490018
   0.80539644  0.61465199  0.47420860
   0.56202876  0.57385857  0.38137776
   0.60271494  0.58781531  0.56436107
   0.83932601  0.70528397  0.77746067
   0.64634208  0.80793406  0.43037878
   0.87394537  0.94804324  0.85298826
   0.94198678  0.88280503  0.66775565
   0.68036403  0.91983977  0.74166609
   0.74672020  0.64749247  0.96115360
   0.48733541  0.70459351  0.90440658
   0.71745629  0.79778422  0.59077656
   0.56431350  0.83150336  0.38335613
   0.85064647  0.23020410  0.08988344
   1.00711972  0.38954580  0.34492829
   0.31557230  0.11759087  0.64784873
   0.24387932  0.77805043  0.75803989
  -0.01598579  1.13050720  0.13679137
   0.25044024  1.08729264  0.02534312
   0.62435738  0.34668887  0.86825250
   0.85230554  0.39174857  0.63520215
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845629    0.635837    0.005116
    -0.000000    9.865739    0.307742
    -0.000000    0.000000   13.927617
   Si   O    H 
    32    64    10
Direct configuration=   929
   0.16070516  0.18841262 -0.03255842
   0.37012644  0.10922514  0.38748903
   0.10659552  0.40903627  0.11504272
   0.35163243  0.36823592  0.25220026
   0.09339771  0.18185982  0.48593041
   0.41222393  0.14579063  0.84910908
   0.08617455  0.42146145  0.62976812
   0.35242508  0.41028386  0.75036550
   0.10017282  0.68482656  0.00214566
   0.39900684  0.59450638  0.37424534
   0.07555122  0.92367996  0.13836820
   0.32865355  0.86698585  0.26009437
   0.16393229  0.65850736  0.49681728
   0.34120844  0.63917963  0.87400876
   0.07135557  0.92176165  0.60554861
   0.34251349  0.97689093  0.68862071
   0.62467918  0.16374357  1.01230080
   0.85463736  0.13529357  0.35917692
   0.58594603  0.43018694  0.12246395
   0.84237715  0.32008213  0.17705654
   0.61882143  0.16048218  0.50712291
   0.88034735  0.10958256  0.88029916
   0.56268489  0.43833055  0.61400085
   0.73349404  0.35234595  0.80327124
   0.59339618  0.69147789 -0.00635387
   0.91413771  0.60094001  0.38177652
   0.57429213  0.92591372  0.13647020
   0.82663140  0.85370925  0.25892566
   0.64999360  0.64627758  0.46140671
   0.84951938  0.61182397  0.87886910
   0.62349863  0.90947832  0.63250101
   0.83578390  0.87060826  0.75711904
   0.07183023  0.08610951  0.12481055
   0.33611096  0.20701200  0.29304217
   0.08507057  0.33001827  0.01543046
   0.31300333  0.46209946  0.34885125
   0.50894890  0.37054393  0.21521970
   0.24539356  0.41066353  0.16802489
   0.24344934  0.12258766  0.45046969
   0.01026515  0.17401896  0.38633124
   0.03039793  0.07237971  0.56636765
   0.44690825  0.26462519  0.76171132
   0.12367923  0.31219690  0.53936993
   0.37359648  0.47890736  0.84901744
   0.41153770  0.47796322  0.65286196
   0.19550010  0.39959191  0.72297771
   0.27265743  0.24204682 -0.10649779
   0.04359821  0.12380556  0.90081264
   0.07204555  0.58003791  0.08888752
   0.35767692  0.70863762  0.29082634
   0.10758597  0.83456098  0.04148484
   0.38308035  0.94948470  0.34931822
   0.41620650  0.90423865  0.17335241
   0.17256420  0.88133267  0.23168131
   0.32520416  0.65277119  0.47769416
   0.08009179  0.63515168  0.39653138
   0.09340236  0.58558312  0.58904476
   0.30340861  0.69636686  0.76113781
   0.12613636  0.82052124  0.52458960
   0.36345686  1.00843609  0.80801220
   0.46894271  0.87565515  0.64351738
   0.18811158  0.91651526  0.69330936
   0.24829630  0.65377758 -0.03268155
  -0.00633074  0.64922788  0.92200460
   0.59501263  0.08386939  0.11900997
   0.80216142  0.20993449  0.26281172
   0.60349085  0.32348369  0.04015112
   0.93059734  0.43273015  0.35664647
  -0.00718224  0.35499974  0.19743483
   0.74262244  0.45755240  0.15815723
   0.77857403  0.16116630  0.45808628
   0.52357720  0.13157773  0.42070806
   0.63744701  0.05149165  0.59216384
   0.81202336  0.19719664  0.78812298
   0.57459981  0.31653850  0.54372458
   0.83656169  0.44703496  0.85889267
   0.93969585  0.41250551  0.67169834
   0.67650237  0.41291621  0.69907824
   0.77614658  0.13172013  0.97042961
   0.52130084  0.11441704  0.93072070
   0.53246740  0.57472622  0.06941176
   0.87297896  0.70142283  0.29298985
   0.62301776  0.83874729  0.04518270
   0.84025447  0.97142755  0.33671051
   0.91062938  0.90266941  0.15843449
   0.66948468  0.84615316  0.22358851
   0.80568975  0.61469660  0.47365875
   0.56070211  0.57468205  0.38059870
   0.60142106  0.58829113  0.56309349
   0.83712177  0.70483168  0.77687901
   0.64659535  0.80776219  0.43130399
   0.87423636  0.94683869  0.85334929
   0.94195140  0.88306559  0.66773768
   0.67788148  0.92062095  0.74068484
   0.74715061  0.64689735  0.96021048
   0.48903184  0.70531868  0.90362171
   0.71650080  0.80219183  0.58641403
   0.56405429  0.83506557  0.38536306
   0.85141232  0.24041769  0.08882140
   1.03056643  0.38308374  0.34759914
   0.32901237  0.11180908  0.64776346
   0.24328368  0.78180097  0.76292176
  -0.01859144  1.12980160  0.13538028
   0.25352248  1.08238295  0.02058007
   0.62465857  0.34911968  0.87110135
   0.85964278  0.39860623  0.64176651
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843713    0.637507    0.002669
    -0.000000    9.865005    0.309945
    -0.000000    0.000000   13.926722
   Si   O    H 
    32    64    10
Direct configuration=   930
   0.16127617  0.19054278 -0.03291551
   0.36912424  0.10961074  0.38675440
   0.10611937  0.40893156  0.11415755
   0.35170741  0.36744067  0.25236270
   0.09326270  0.18293468  0.48603701
   0.41073311  0.14605042  0.84927471
   0.08517677  0.42006133  0.62918145
   0.35276851  0.40896525  0.74964801
   0.10136918  0.68484563  0.00204452
   0.40004404  0.59485453  0.37386302
   0.07557103  0.92354301  0.13851932
   0.32860275  0.86727831  0.26001474
   0.16409375  0.65853301  0.49730296
   0.34282773  0.63908530  0.87520875
   0.07206965  0.92234938  0.60606863
   0.34280462  0.97757706  0.69032029
   0.62435476  0.16334840  1.01243500
   0.85395992  0.13538909  0.35880191
   0.58550314  0.43093144  0.12183620
   0.84423355  0.31839694  0.17761122
   0.61847464  0.16051406  0.50840335
   0.88038573  0.11028078  0.88042372
   0.56237154  0.43754362  0.61429179
   0.73247910  0.35193135  0.80357374
   0.59453774  0.69241506 -0.00731746
   0.91503070  0.60139066  0.38295388
   0.57267365  0.92578431  0.13725198
   0.82645469  0.85347028  0.25912091
   0.64959863  0.64532628  0.46167401
   0.85007265  0.61173423  0.87917398
   0.62546703  0.90944378  0.63305755
   0.83501952  0.86835942  0.75678989
   0.07280576  0.08643342  0.12508836
   0.33481422  0.20860059  0.29373215
   0.08288997  0.33008020  0.01607655
   0.31332803  0.46084771  0.34937807
   0.50870784  0.37042866  0.21401817
   0.24476132  0.41060935  0.16901685
   0.24402982  0.12059766  0.45143707
   0.01180371  0.17502387  0.38771561
   0.03048123  0.07253665  0.56646873
   0.44504201  0.26543375  0.76076575
   0.12419956  0.31187091  0.53987684
   0.37261139  0.48107703  0.84881277
   0.41072388  0.47888019  0.65321089
   0.19365309  0.40069635  0.72262906
   0.27137081  0.24054965 -0.10700005
   0.04414506  0.12375061  0.90043409
   0.07017659  0.57938266  0.08789816
   0.35578355  0.70861172  0.29167703
   0.10804958  0.83270183  0.04139109
   0.38396069  0.94920222  0.35023761
   0.41574670  0.90469103  0.17431777
   0.17174355  0.88089730  0.23143369
   0.32633963  0.65288325  0.47774784
   0.07900580  0.63680200  0.39691806
   0.09393772  0.58644173  0.58870823
   0.30267895  0.69501508  0.76237907
   0.12498057  0.82011416  0.52370805
   0.36421398  1.00720162  0.80863950
   0.46917161  0.87843349  0.64408471
   0.18891753  0.91719009  0.69194521
   0.24896304  0.65515748 -0.03366217
  -0.00622243  0.65047515  0.92193771
   0.59704219  0.08393917  0.11765204
   0.80160513  0.20929558  0.26324023
   0.60207060  0.32265627  0.04107392
   0.93087213  0.43294626  0.35727670
  -0.00701606  0.35671588  0.19770025
   0.74221304  0.45718698  0.15614617
   0.77784124  0.15992017  0.45866094
   0.52184654  0.13149276  0.42111323
   0.63669273  0.05360644  0.59173261
   0.81237294  0.19669159  0.78938617
   0.57581397  0.31687089  0.54295408
   0.83695738  0.44526289  0.85938505
   0.94060388  0.41183754  0.67193568
   0.67686094  0.41256844  0.69855185
   0.77542565  0.13059136  0.97101515
   0.52127919  0.11410843  0.93031295
   0.53422799  0.57538802  0.06921950
   0.87211208  0.69927910  0.29342180
   0.62373435  0.83964983  0.04405239
   0.84114056  0.97155691  0.33593964
   0.91045606  0.90167320  0.15823083
   0.66883871  0.84737220  0.22170891
   0.80731905  0.61381449  0.47243669
   0.55928418  0.57532623  0.37980382
   0.59951938  0.58949321  0.56236248
   0.83542021  0.70444774  0.77617305
   0.64554040  0.80780310  0.43169140
   0.87417786  0.94705510  0.85370810
   0.94110137  0.88381248  0.66788463
   0.67604876  0.92082065  0.74028033
   0.74685036  0.64606402  0.95959871
   0.49009039  0.70610936  0.90274600
   0.71244097  0.80781947  0.58406548
   0.57248373  0.83831172  0.39168218
   0.85221563  0.24857315  0.08929899
   1.04473998  0.38527768  0.35046960
   0.34017036  0.10948571  0.64352325
   0.23982437  0.78147965  0.76811524
  -0.02453979  1.12970929  0.13364867
   0.25095230  1.08061599  0.01609466
   0.62019594  0.35082723  0.87391372
   0.85753918  0.40175220  0.64301179
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841785    0.639197   -0.000137
    -0.000000    9.864230    0.311809
    -0.000000    0.000000   13.925799
   Si   O    H 
    32    64    10
Direct configuration=   931
   0.16158138  0.19190341 -0.03333805
   0.36821347  0.10947050  0.38593177
   0.10489489  0.40939274  0.11346300
   0.35179168  0.36628840  0.25318468
   0.09355860  0.18321444  0.48608998
   0.40917384  0.14693281  0.84950585
   0.08513279  0.41898705  0.62841429
   0.35261395  0.40726724  0.74829232
   0.10213842  0.68397506  0.00185930
   0.40049101  0.59515771  0.37329541
   0.07570710  0.92320815  0.13896805
   0.32896566  0.86733932  0.26006297
   0.16421528  0.65902598  0.49772143
   0.34419677  0.63984096  0.87619689
   0.07239464  0.92258448  0.60649419
   0.34297386  0.97835158  0.69191516
   0.62377731  0.16393221  1.01261196
   0.85377909  0.13510043  0.35853530
   0.58588217  0.43258342  0.12132093
   0.84601192  0.31722893  0.17771130
   0.61830027  0.16111665  0.50910402
   0.88071402  0.10997770  0.88000008
   0.56234499  0.43731332  0.61462054
   0.73174204  0.35149078  0.80388599
   0.59555488  0.69339555 -0.00832069
   0.91565922  0.60092409  0.38415801
   0.57162213  0.92577523  0.13781813
   0.82624470  0.85383870  0.25946676
   0.64836059  0.64455503  0.46170649
   0.85089767  0.61087033  0.87852125
   0.62722373  0.90872837  0.63345679
   0.83399133  0.86601032  0.75662031
   0.07324254  0.08693743  0.12517165
   0.33387506  0.21071344  0.29432637
   0.08092496  0.32982092  0.01650080
   0.31381764  0.45971801  0.34957553
   0.50819295  0.37023459  0.21322977
   0.24509437  0.41018765  0.16997701
   0.24395774  0.11954008  0.45306519
   0.01319240  0.17624308  0.38920552
   0.03099081  0.07243695  0.56580701
   0.44324805  0.26585018  0.75957782
   0.12437314  0.31186998  0.54029355
   0.37166583  0.48344323  0.84887160
   0.41047493  0.48001005  0.65278926
   0.19170618  0.40203632  0.72204391
   0.27149994  0.23849281 -0.10765514
   0.04437273  0.12335625  0.90036558
   0.06916073  0.57774816  0.08726246
   0.35407982  0.70874158  0.29203255
   0.10910818  0.83181729  0.04185317
   0.38394841  0.94862227  0.35052266
   0.41655052  0.90486177  0.17411363
   0.17079901  0.88071746  0.23105984
   0.32799579  0.65211759  0.47768476
   0.07758174  0.63849447  0.39753603
   0.09463018  0.58653241  0.58840938
   0.30189951  0.69391609  0.76357365
   0.12356186  0.81975588  0.52274528
   0.36543576  1.00567671  0.80875012
   0.46884936  0.87975560  0.64512189
   0.19015996  0.91754894  0.69053840
   0.25015010  0.65708329 -0.03414138
  -0.00577065  0.65067247  0.92203615
   0.59869685  0.08349271  0.11570280
   0.80011474  0.20975543  0.26341688
   0.60038818  0.32086157  0.04138000
   0.93144838  0.43316653  0.35834322
  -0.00618949  0.35777542  0.19803746
   0.74211945  0.45672426  0.15446518
   0.77658130  0.15944843  0.45894598
   0.51979002  0.13169291  0.42105737
   0.63625763  0.05547791  0.59178455
   0.81254146  0.19642227  0.79066134
   0.57732918  0.31746436  0.54225920
   0.83666877  0.44456559  0.85920374
   0.94225973  0.41133963  0.67233396
   0.67830992  0.41200488  0.69773297
   0.77479160  0.12944221  0.97179038
   0.52167512  0.11324817  0.92989947
   0.53544355  0.57581683  0.06911463
   0.87089905  0.69788368  0.29381022
   0.62397393  0.84060758  0.04280002
   0.84219943  0.97061799  0.33548564
   0.91003436  0.90069323  0.15832204
   0.66805839  0.84822231  0.22021569
   0.81002208  0.61259083  0.47129688
   0.55778095  0.57538401  0.37915290
   0.59728710  0.59028954  0.56209609
   0.83408701  0.70390553  0.77556059
   0.64481463  0.80837530  0.43214505
   0.87403901  0.94745169  0.85420347
   0.93994767  0.88363465  0.66817252
   0.67521105  0.92144248  0.74001601
   0.74691392  0.64476080  0.95920004
   0.49137382  0.70680327  0.90261055
   0.70750590  0.81422817  0.58378480
   0.57532085  0.84913677  0.39181804
   0.85274689  0.25145229  0.08625192
   1.04539251  0.39056668  0.35360461
   0.34763493  0.10761025  0.63568733
   0.23880112  0.77398299  0.77160365
  -0.02065581  1.12669780  0.13083443
   0.24310475  1.08158653  0.01352069
   0.61901448  0.35461984  0.87525060
   0.84509603  0.40111050  0.64109288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839845    0.640586   -0.003363
    -0.000000    9.863505    0.314082
    -0.000000    0.000000   13.924540
   Si   O    H 
    32    64    10
Direct configuration=   932
   0.16171749  0.19324833 -0.03376812
   0.36744536  0.10886159  0.38475290
   0.10304642  0.41099593  0.11307181
   0.35184258  0.36523449  0.25431018
   0.09379499  0.18231735  0.48616636
   0.40765731  0.14891573  0.85012083
   0.08407571  0.41839947  0.62793867
   0.35214016  0.40578235  0.74716521
   0.10161158  0.68308860  0.00158287
   0.40038579  0.59516221  0.37291031
   0.07518618  0.92291957  0.13943764
   0.32849936  0.86719618  0.26024820
   0.16440621  0.65989769  0.49827572
   0.34631171  0.64018455  0.87648723
   0.07324798  0.92315159  0.60716503
   0.34306805  0.97941398  0.69367906
   0.62360589  0.16400584  1.01320487
   0.85426640  0.13434909  0.35841248
   0.58665468  0.43391046  0.12078692
   0.84719173  0.31633825  0.17795559
   0.61836220  0.16241726  0.50931603
   0.88142267  0.10907886  0.87947427
   0.56222705  0.43713371  0.61518570
   0.73113526  0.35122614  0.80407484
   0.59634592  0.69422356 -0.00883227
   0.91651096  0.59984768  0.38516045
   0.57105156  0.92543871  0.13834725
   0.82594048  0.85426043  0.25963954
   0.64724483  0.64447506  0.46179049
   0.85204165  0.60976663  0.87734932
   0.62937500  0.90831501  0.63349745
   0.83335858  0.86407172  0.75627568
   0.07316790  0.08745345  0.12502640
   0.33368359  0.21218021  0.29455386
   0.07926629  0.32890676  0.01690273
   0.31477543  0.45979888  0.34985427
   0.50680624  0.37063348  0.21261670
   0.24571598  0.40982729  0.17060431
   0.24313447  0.11909931  0.45471056
   0.01356107  0.17785320  0.38989097
   0.03191464  0.07279893  0.56546282
   0.44154679  0.26565933  0.75900991
   0.12452431  0.31335463  0.54084022
   0.37103516  0.48548029  0.84898624
   0.40991121  0.48100306  0.65202001
   0.18922189  0.40321973  0.72141941
   0.27199259  0.23725075 -0.10849076
   0.04407176  0.12354209  0.90051938
   0.06857882  0.57547406  0.08689334
   0.35245994  0.70772343  0.29195112
   0.11009372  0.83130190  0.04235764
   0.38412083  0.94802518  0.35112177
   0.41856774  0.90552117  0.17332754
   0.16976148  0.87993670  0.23084704
   0.32927067  0.65131357  0.47760502
   0.07549166  0.64100556  0.39840811
   0.09532347  0.58662446  0.58856197
   0.30178246  0.69311318  0.76512189
   0.12243027  0.81948852  0.52162669
   0.36658193  1.00488910  0.80842842
   0.46861822  0.88079693  0.64619439
   0.19228122  0.91774110  0.68891615
   0.25123092  0.65823098 -0.03460089
  -0.00522449  0.65142752  0.92179660
   0.59978231  0.08275687  0.11369125
   0.79826262  0.21124222  0.26347889
   0.59850140  0.32001010  0.04092508
   0.93272426  0.43395555  0.35949094
  -0.00477563  0.35863438  0.19768805
   0.74232336  0.45540913  0.15380148
   0.77464297  0.15999328  0.45900914
   0.51813995  0.13196395  0.42158961
   0.63656016  0.05763092  0.59279413
   0.81211115  0.19624822  0.79194073
   0.57909112  0.31745446  0.54194019
   0.83759156  0.44421868  0.85893213
   0.94288806  0.41065932  0.67242150
   0.67926686  0.41164912  0.69698832
   0.77425616  0.12818326  0.97245820
   0.52279558  0.11250643  0.92922152
   0.53629408  0.57583753  0.06955469
   0.86910870  0.69679831  0.29448863
   0.62338347  0.84129116  0.04186593
   0.84386765  0.96966258  0.33539211
   0.91019372  0.89895970  0.15880298
   0.66731911  0.84905466  0.21912793
   0.81260539  0.61159009  0.46987845
   0.55771044  0.57511388  0.37831687
   0.59504463  0.59134845  0.56219988
   0.83195443  0.70379699  0.77465311
   0.64449129  0.80872242  0.43265393
   0.87399100  0.94741692  0.85439994
   0.93875141  0.88290231  0.66848226
   0.67518487  0.92178582  0.74002060
   0.74610359  0.64366525  0.95919060
   0.49237344  0.70670750  0.90210813
   0.70385838  0.81528784  0.58249309
   0.57297781  0.85989027  0.38991882
   0.85635976  0.24917680  0.08344371
   1.03392811  0.40171280  0.35693355
   0.35347340  0.10683885  0.62909146
   0.23391210  0.76786069  0.77276340
  -0.01624258  1.12233709  0.12770994
   0.23122818  1.08378400  0.01302471
   0.61853323  0.35859038  0.87411168
   0.84695639  0.39993209  0.64138765
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838049    0.641676   -0.006750
    -0.000000    9.862503    0.315881
    -0.000000    0.000000   13.923479
   Si   O    H 
    32    64    10
Direct configuration=   933
   0.16118049  0.19461930 -0.03402296
   0.36691510  0.10798813  0.38316874
   0.10112584  0.41330022  0.11277586
   0.35162906  0.36399357  0.25581060
   0.09425141  0.18116286  0.48662867
   0.40678838  0.15156137  0.85036259
   0.08376679  0.41804244  0.62742645
   0.35108281  0.40440368  0.74659749
   0.10042713  0.68263659  0.00137648
   0.39984504  0.59484477  0.37280793
   0.07505715  0.92276022  0.13985303
   0.32774801  0.86699369  0.26053714
   0.16465747  0.66127648  0.49839350
   0.34868838  0.64081044  0.87652155
   0.07437711  0.92400489  0.60801439
   0.34349961  0.98010310  0.69550522
   0.62369595  0.16397935  1.01353818
   0.85432823  0.13305375  0.35811097
   0.58783836  0.43481324  0.12026404
   0.84854123  0.31541213  0.17811333
   0.61882145  0.16400065  0.50917330
   0.88229800  0.10821800  0.87923078
   0.56285747  0.43691388  0.61610443
   0.73094091  0.35119096  0.80427406
   0.59648195  0.69508114 -0.00927414
   0.91769529  0.59899199  0.38604409
   0.57119482  0.92443128  0.13847068
   0.82564274  0.85442805  0.25992016
   0.64731059  0.64464159  0.46149630
   0.85332396  0.60810959  0.87609582
   0.63100072  0.90783972  0.63412513
   0.83261176  0.86257585  0.75637955
   0.07349662  0.08759603  0.12503033
   0.33347536  0.21412230  0.29478625
   0.07812278  0.32842268  0.01703802
   0.31583885  0.45997027  0.34961241
   0.50505474  0.37116699  0.21151630
   0.24609609  0.40906371  0.17113061
   0.24289990  0.11876410  0.45665081
   0.01257696  0.17963262  0.38982649
   0.03316052  0.07293549  0.56453556
   0.44032539  0.26488840  0.75886314
   0.12440994  0.31585470  0.54095380
   0.37106235  0.48644082  0.84914493
   0.40958947  0.48225946  0.65167391
   0.18714620  0.40306793  0.72073052
   0.27323104  0.23588844 -0.10974177
   0.04326947  0.12430962  0.90080574
   0.06779319  0.57299066  0.08631418
   0.35157895  0.70672214  0.29169592
   0.11130368  0.83104207  0.04283213
   0.38362288  0.94775688  0.35128119
   0.42009939  0.90637582  0.17216565
   0.16911034  0.87822165  0.23056917
   0.32980915  0.65038143  0.47763074
   0.07514273  0.64317007  0.39941295
   0.09598798  0.58552531  0.58880409
   0.30278686  0.69255725  0.76724551
   0.12055073  0.81957720  0.52090165
   0.36706126  1.00439721  0.80776936
   0.46890170  0.88125223  0.64661686
   0.19463478  0.91844051  0.68781947
   0.25303742  0.65917965 -0.03469385
  -0.00495231  0.65149570  0.92134405
   0.60165404  0.08217121  0.11182612
   0.79637918  0.21233595  0.26340924
   0.59610632  0.31988806  0.04080984
   0.93349391  0.43493770  0.36059861
  -0.00267189  0.35979705  0.19772271
   0.74267465  0.45340313  0.15312808
   0.77236726  0.16122202  0.45867501
   0.51653530  0.13234140  0.42201950
   0.63629229  0.05916779  0.59391680
   0.81130053  0.19717746  0.79283723
   0.58058876  0.31658460  0.54139818
   0.83806931  0.44492404  0.85867655
   0.94220415  0.40930786  0.67269968
   0.67988860  0.41107543  0.69612366
   0.77406949  0.12776948  0.97292423
   0.52383138  0.11165027  0.92963679
   0.53660507  0.57590185  0.06984195
   0.86782093  0.69526279  0.29536030
   0.62277755  0.84141483  0.04170714
   0.84508950  0.96978014  0.33593743
   0.91045155  0.89705424  0.15964305
   0.66711816  0.84957399  0.21857657
   0.81485046  0.61059721  0.46917262
   0.55813205  0.57488924  0.37737524
   0.59263176  0.59221829  0.56275747
   0.82994529  0.70319171  0.77393423
   0.64404421  0.80912859  0.43340963
   0.87276762  0.94677698  0.85448889
   0.93819132  0.88278136  0.66890060
   0.67569328  0.92182615  0.73986462
   0.74491255  0.64353957  0.95855207
   0.49145417  0.70648280  0.90165088
   0.70582547  0.80834259  0.58181971
   0.57936057  0.86766347  0.39240653
   0.85743742  0.24342874  0.08578762
   1.01750161  0.41595966  0.35645851
   0.35606201  0.10131195  0.62395697
   0.22674333  0.76576359  0.77272877
  -0.02275920  1.12456715  0.12297605
   0.22554329  1.08323793  0.01665429
   0.61644680  0.36221957  0.87200502
   0.86239774  0.40080231  0.64408054
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836359    0.642804   -0.010327
    -0.000000    9.861375    0.317600
    -0.000000    0.000000   13.923177
   Si   O    H 
    32    64    10
Direct configuration=   934
   0.16013767  0.19616800 -0.03433538
   0.36639886  0.10745675  0.38160693
   0.10048737  0.41563669  0.11252606
   0.35147508  0.36300156  0.25720620
   0.09442707  0.17968636  0.48728568
   0.40582531  0.15448600  0.85045938
   0.08384778  0.41853583  0.62705420
   0.34990757  0.40311161  0.74589570
   0.09915856  0.68216738  0.00132532
   0.39884896  0.59529038  0.37319022
   0.07502487  0.92206221  0.13978368
   0.32676922  0.86622079  0.26114217
   0.16467588  0.66316874  0.49862861
   0.35029899  0.64144961  0.87666651
   0.07559654  0.92460163  0.60897239
   0.34423224  0.98019072  0.69725403
   0.62367850  0.16379943  1.01346356
   0.85486062  0.13194957  0.35814261
   0.58973687  0.43552194  0.11972886
   0.84919279  0.31436689  0.17877059
   0.61955919  0.16497714  0.50938975
   0.88275159  0.10718685  0.87967519
   0.56376330  0.43735812  0.61658197
   0.73115828  0.35098543  0.80429754
   0.59666313  0.69531642 -0.00867897
   0.91970056  0.59823331  0.38636573
   0.57148823  0.92318075  0.13854048
   0.82496026  0.85437937  0.26035502
   0.64774153  0.64500290  0.46103114
   0.85388521  0.60603142  0.87457404
   0.63163881  0.90732207  0.63486383
   0.83199965  0.86185828  0.75707549
   0.07358163  0.08802524  0.12444200
   0.33371835  0.21500749  0.29483445
   0.07696660  0.32770265  0.01713914
   0.31782009  0.45981484  0.34979541
   0.50399814  0.37136205  0.21127893
   0.24643335  0.40856662  0.17229556
   0.24306539  0.11829443  0.45830377
   0.01120657  0.18125330  0.38936322
   0.03499681  0.07282060  0.56335321
   0.44031947  0.26339675  0.75923791
   0.12346622  0.31880322  0.54089273
   0.37219825  0.48690601  0.84885130
   0.41010004  0.48337069  0.65168041
   0.18573456  0.40202082  0.72016843
   0.27455727  0.23469288 -0.11080137
   0.04207233  0.12404475  0.90157398
   0.06789630  0.57096729  0.08550855
   0.35129307  0.70692936  0.29184653
   0.11234277  0.83191840  0.04363586
   0.38198176  0.94798811  0.35121129
   0.42185973  0.90740002  0.17130311
   0.16774760  0.87657739  0.23035377
   0.32976731  0.65000559  0.47736942
   0.07419651  0.64417850  0.40058387
   0.09671665  0.58382137  0.58957580
   0.30233323  0.69236440  0.76967024
   0.11876200  0.82041387  0.51990841
   0.36712668  1.00420845  0.80742837
   0.46921594  0.88219936  0.64705607
   0.19667112  0.92015669  0.68767604
   0.25530085  0.66037467 -0.03512562
  -0.00457148  0.65169741  0.92002840
   0.60309802  0.08111191  0.10968332
   0.79512303  0.21371818  0.26312410
   0.59367372  0.31967374  0.04008988
   0.93192915  0.43640286  0.36140092
   0.00029397  0.36121598  0.19731293
   0.74387125  0.45196096  0.15254559
   0.77101506  0.16286010  0.45818294
   0.51516374  0.13270414  0.42253781
   0.63596554  0.06039113  0.59431489
   0.81084979  0.19828028  0.79367168
   0.58123964  0.31583796  0.54093043
   0.83853403  0.44605787  0.85895414
   0.94198419  0.40819034  0.67323985
   0.67997931  0.41030517  0.69569071
   0.77466522  0.12783914  0.97326838
   0.52464809  0.11139755  0.92982471
   0.53610243  0.57718204  0.06978056
   0.86701478  0.69463853  0.29544900
   0.62102803  0.84199131  0.04130238
   0.84576262  0.96957456  0.33697422
   0.91049646  0.89499094  0.16083390
   0.66700044  0.85012906  0.21848839
   0.81637864  0.61050177  0.46851603
   0.55866317  0.57489893  0.37693682
   0.59055613  0.59293779  0.56315706
   0.82763284  0.70252754  0.77346095
   0.64392077  0.80976428  0.43401050
   0.87214403  0.94565738  0.85456270
   0.93787026  0.88226595  0.66904218
   0.67695481  0.92149565  0.73958140
   0.74402200  0.64394593  0.95772142
   0.49051741  0.70643142  0.90091805
   0.70737704  0.79955427  0.57984424
   0.59009635  0.87227159  0.39543057
   0.86198624  0.23652079  0.08965229
   1.03570454  0.41527539  0.35383741
   0.35828209  0.09528553  0.62307867
   0.22500890  0.76147709  0.76959498
  -0.02607762  1.12552477  0.12034300
   0.22448086  1.08163614  0.02150383
   0.61366322  0.36288543  0.86770589
   0.86087740  0.39392049  0.63928198
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835484    0.644219   -0.013660
    -0.000000    9.860290    0.319264
    -0.000000    0.000000   13.922842
   Si   O    H 
    32    64    10
Direct configuration=   935
   0.15916946  0.19648977 -0.03464119
   0.36616716  0.10702065  0.38051144
   0.10014493  0.41738796  0.11231386
   0.35071666  0.36199285  0.25857430
   0.09481958  0.17862752  0.48830869
   0.40459123  0.15665995  0.85065109
   0.08435257  0.42018264  0.62693268
   0.34812768  0.40245735  0.74499805
   0.09879509  0.68205000  0.00145181
   0.39727380  0.59524632  0.37376324
   0.07517904  0.92124446  0.13931839
   0.32612552  0.86517722  0.26141889
   0.16443906  0.66506859  0.49899884
   0.35136870  0.64233726  0.87665510
   0.07657726  0.92445736  0.60981825
   0.34473077  0.98042774  0.69843524
   0.62386261  0.16436615  1.01294228
   0.85536093  0.13121628  0.35863287
   0.59106278  0.43593321  0.11958025
   0.84975886  0.31298080  0.17908398
   0.62011944  0.16573199  0.50915047
   0.88319480  0.10605671  0.88048245
   0.56489807  0.43844028  0.61696158
   0.73178590  0.35024358  0.80447760
   0.59684836  0.69529842 -0.00835099
   0.92155193  0.59720302  0.38598061
   0.57189005  0.92167157  0.13821669
   0.82421278  0.85389396  0.26018149
   0.64861690  0.64593263  0.46061018
   0.85344152  0.60362620  0.87327216
   0.63165661  0.90667615  0.63522863
   0.83172842  0.86109967  0.75807198
   0.07385042  0.08865595  0.12433514
   0.33442467  0.21449858  0.29538431
   0.07670964  0.32641608  0.01749316
   0.31921447  0.45931229  0.34963072
   0.50309661  0.37163841  0.21060894
   0.24681181  0.40858727  0.17251731
   0.24291934  0.11764094  0.46010992
   0.00961863  0.18235071  0.38895859
   0.03625682  0.07336045  0.56268069
   0.43987181  0.26136589  0.76040791
   0.12269503  0.32180326  0.54029050
   0.37433076  0.48649781  0.84841302
   0.41061286  0.48368701  0.65106711
   0.18427725  0.40020584  0.71978276
   0.27590916  0.23451928 -0.11142782
   0.04076272  0.12419243  0.90250396
   0.06883057  0.56958788  0.08467511
   0.35111910  0.70679263  0.29191307
   0.11282039  0.83282006  0.04510445
   0.37958825  0.94761908  0.35089135
   0.42255233  0.90829462  0.16982459
   0.16707959  0.87535440  0.23000972
   0.32989178  0.64929159  0.47709296
   0.07390452  0.64502295  0.40255463
   0.09737047  0.58146997  0.59043160
   0.30225166  0.69240027  0.77209115
   0.11769547  0.82212935  0.51904902
   0.36716702  1.00394505  0.80730636
   0.46965829  0.88249620  0.64714059
   0.19856693  0.92227493  0.68798549
   0.25663330  0.66184325 -0.03520061
  -0.00504214  0.65179593  0.91898833
   0.60460094  0.07939145  0.10852129
   0.79412805  0.21553618  0.26316453
   0.59106195  0.31992512  0.03892661
   0.93194450  0.43797641  0.36187742
   0.00259177  0.36272905  0.19690247
   0.74527426  0.44996100  0.15253220
   0.76981940  0.16415343  0.45727391
   0.51346642  0.13321338  0.42326857
   0.63546840  0.06198417  0.59508024
   0.81091325  0.20045916  0.79427956
   0.58191034  0.31594457  0.54079762
   0.83894792  0.44700388  0.85859117
   0.94176035  0.40659556  0.67358020
   0.68081102  0.40903380  0.69530831
   0.77657279  0.12739655  0.97349802
   0.52457530  0.11126518  0.92985286
   0.53576312  0.57853910  0.06935891
   0.86634973  0.69463271  0.29589094
   0.61867326  0.84269239  0.04135217
   0.84649692  0.96962857  0.33882256
   0.91109358  0.89295743  0.16231131
   0.66788222  0.85045864  0.21825425
   0.81773213  0.61087944  0.46862396
   0.55910879  0.57519626  0.37709759
   0.58932177  0.59373150  0.56376125
   0.82542956  0.70111145  0.77364155
   0.64465347  0.80944468  0.43529422
   0.87164761  0.94420636  0.85481688
   0.93785273  0.88314502  0.66954139
   0.67887464  0.92022028  0.73964888
   0.74274152  0.64429134  0.95675304
   0.48955581  0.70599179  0.90099769
   0.71069042  0.79474207  0.58096562
   0.59438145  0.88189937  0.39499974
   0.86562857  0.23192765  0.09243277
   1.04535041  0.41250937  0.35039289
   0.36034125  0.08781074  0.62471895
   0.22308384  0.75716790  0.76560722
  -0.02386465  1.12579222  0.11706474
   0.22320473  1.08150992  0.02504985
   0.61169000  0.36222160  0.86308496
   0.85714777  0.38648421  0.63246055
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834741    0.645511   -0.016678
    -0.000000    9.859420    0.320289
    -0.000000    0.000000   13.923121
   Si   O    H 
    32    64    10
Direct configuration=   936
   0.15769216  0.19695081 -0.03495209
   0.36539624  0.10674978  0.37924391
   0.10041640  0.41882167  0.11268226
   0.35025506  0.36076107  0.25967195
   0.09513715  0.17839751  0.48868336
   0.40438686  0.15797150  0.85069285
   0.08462670  0.42223648  0.62698761
   0.34538217  0.40245346  0.74407047
   0.09861769  0.68219478  0.00169346
   0.39468643  0.59509002  0.37452772
   0.07471168  0.92004688  0.13903863
   0.32636993  0.86395852  0.26153313
   0.16415521  0.66764981  0.49959938
   0.35206937  0.64389578  0.87656942
   0.07715147  0.92363311  0.61046803
   0.34577391  0.98095069  0.69903223
   0.62386021  0.16452517  1.01273375
   0.85593477  0.13028861  0.35962251
   0.59130524  0.43667272  0.11970681
   0.85040857  0.31154920  0.17959122
   0.62072041  0.16565900  0.50896062
   0.88320757  0.10502365  0.88089078
   0.56542340  0.43975608  0.61717709
   0.73240009  0.34943521  0.80457298
   0.59698535  0.69610378 -0.00786910
   0.92307282  0.59592612  0.38539283
   0.57187268  0.92010770  0.13751693
   0.82364442  0.85342086  0.25997844
   0.64996958  0.64655336  0.45982635
   0.85273104  0.60190600  0.87181421
   0.63034957  0.90557928  0.63502600
   0.83106625  0.86040555  0.75967439
   0.07470299  0.08931117  0.12432798
   0.33553461  0.21267619  0.29586115
   0.07727982  0.32551672  0.01783561
   0.32057695  0.45960799  0.34976290
   0.50259572  0.37289865  0.20973843
   0.24772772  0.40868992  0.17286571
   0.24301218  0.11736879  0.46155016
   0.00746925  0.18305911  0.38842932
   0.03607003  0.07426573  0.56215993
   0.43843841  0.25992799  0.76134145
   0.12232170  0.32421514  0.53959584
   0.37541329  0.48476018  0.84736275
   0.41082318  0.48376990  0.65087307
   0.18235591  0.39874455  0.71989582
   0.27709472  0.23545932 -0.11170200
   0.03926862  0.12472306  0.90299785
   0.06899703  0.56893936  0.08342151
   0.35154539  0.70671034  0.29145961
   0.11241662  0.83350946  0.04591903
   0.37736561  0.94627220  0.35100046
   0.42205885  0.90922619  0.16911538
   0.16692851  0.87462591  0.22986196
   0.33044770  0.64851805  0.47653486
   0.07274709  0.64565331  0.40477629
   0.09799084  0.57941565  0.59096271
   0.30204858  0.69318422  0.77415411
   0.11707820  0.82414829  0.51835209
   0.36770330  1.00360557  0.80759475
   0.46949924  0.88250991  0.64731454
   0.19988558  0.92372752  0.68831426
   0.25778509  0.66221803 -0.03443331
  -0.00586851  0.65202397  0.91775267
   0.60529733  0.07683089  0.10795411
   0.79273903  0.21615956  0.26286382
   0.58893284  0.32037884  0.03763012
   0.93297260  0.43941975  0.36215519
   0.00532311  0.36315257  0.19669417
   0.74687068  0.44756401  0.15367644
   0.76814568  0.16516986  0.45656529
   0.51165218  0.13346728  0.42378617
   0.63485915  0.06360705  0.59584260
   0.81107169  0.20288465  0.79471904
   0.58238879  0.31658365  0.54090911
   0.83957333  0.44719349  0.85798580
   0.94069618  0.40504566  0.67349542
   0.68225183  0.40778671  0.69574787
   0.77845693  0.12785408  0.97387882
   0.52411984  0.11068591  0.93000660
   0.53524699  0.57986996  0.06898218
   0.86535109  0.69483284  0.29594259
   0.61678350  0.84279699  0.04101977
   0.84750346  0.96865971  0.33987419
   0.91195168  0.89074860  0.16384733
   0.66931903  0.85103815  0.21875010
   0.81753425  0.61174893  0.46917485
   0.56037507  0.57524228  0.37762991
   0.58780504  0.59477811  0.56441833
   0.82328474  0.69943115  0.77408501
   0.64431005  0.80974934  0.43661646
   0.87197440  0.94335972  0.85478288
   0.93981466  0.88374745  0.67011859
   0.68079995  0.91882035  0.74042450
   0.74156897  0.64475287  0.95546559
   0.48948565  0.70609684  0.90166993
   0.71144868  0.79447528  0.58636149
   0.59700997  0.88335834  0.39673778
   0.86634550  0.22659813  0.09565052
   1.04154982  0.41258684  0.34652545
   0.35988187  0.08182534  0.62625699
   0.22532943  0.75180338  0.76241691
  -0.01746905  1.12579104  0.11647482
   0.22766824  1.08539805  0.02678321
   0.60751801  0.35784958  0.86136801
   0.86277561  0.38014470  0.63045660
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833854    0.646153   -0.019700
    -0.000000    9.858305    0.321521
    -0.000000    0.000000   13.923511
   Si   O    H 
    32    64    10
Direct configuration=   937
   0.15638268  0.19704088 -0.03482791
   0.36436668  0.10622887  0.37805563
   0.10090352  0.42043537  0.11288187
   0.34980399  0.36022588  0.26022641
   0.09493321  0.17807716  0.48870771
   0.40538813  0.15844367  0.85118573
   0.08441794  0.42466027  0.62663749
   0.34309061  0.40302009  0.74359233
   0.09914453  0.68265757  0.00176973
   0.39274751  0.59473505  0.37542040
   0.07408590  0.91912916  0.13899605
   0.32678427  0.86295171  0.26144947
   0.16389117  0.66983568  0.50029642
   0.35256625  0.64583407  0.87662353
   0.07810422  0.92271674  0.61083014
   0.34663881  0.98130928  0.69926969
   0.62383718  0.16525228  1.01205706
   0.85620835  0.12957232  0.36058080
   0.59185360  0.43750775  0.11990189
   0.85152207  0.31053926  0.18028351
   0.62096518  0.16610083  0.50854077
   0.88270124  0.10321530  0.88100723
   0.56578503  0.44100117  0.61695812
   0.73333983  0.34795995  0.80475621
   0.59717929  0.69701125 -0.00750720
   0.92390558  0.59540905  0.38418112
   0.57168181  0.91845591  0.13712237
   0.82365937  0.85257503  0.26000317
   0.65121666  0.64709581  0.45898983
   0.85177463  0.60019306  0.87063352
   0.62852421  0.90399962  0.63497409
   0.83071170  0.85962809  0.76107261
   0.07573018  0.08919260  0.12456588
   0.33685804  0.21035336  0.29579147
   0.07859107  0.32408013  0.01816509
   0.32190808  0.45972692  0.34994545
   0.50200664  0.37459763  0.20925314
   0.24866869  0.40847561  0.17294574
   0.24364790  0.11702905  0.46224994
   0.00516853  0.18373609  0.38791395
   0.03489354  0.07404716  0.56189799
   0.43731106  0.25890347  0.76203887
   0.12179949  0.32737465  0.53837771
   0.37603081  0.48223143  0.84600711
   0.41172579  0.48351744  0.65086833
   0.18137520  0.39769328  0.71948408
   0.27767943  0.23571560 -0.11140065
   0.03817449  0.12407131  0.90351036
   0.06844200  0.56892015  0.08188125
   0.35148022  0.70660207  0.29095603
   0.11076767  0.83359193  0.04678378
   0.37596212  0.94474916  0.35036517
   0.42052155  0.91031435  0.16899726
   0.16743926  0.87362692  0.23006085
   0.33009170  0.64756225  0.47627324
   0.07210543  0.64661000  0.40651484
   0.09862332  0.57791851  0.59067795
   0.30155117  0.69348447  0.77591374
   0.11614008  0.82692340  0.51793294
   0.36715806  1.00364057  0.80822244
   0.46844749  0.88326650  0.64750178
   0.20081728  0.92488569  0.68845345
   0.25744024  0.66226896 -0.03372573
  -0.00677345  0.65183401  0.91585289
   0.60586822  0.07400672  0.10779566
   0.79112952  0.21608217  0.26281648
   0.58727593  0.32111616  0.03651173
   0.93500157  0.44118588  0.36263416
   0.00838843  0.36253498  0.19633551
   0.74797736  0.44380770  0.15487695
   0.76590044  0.16531414  0.45604249
   0.51027087  0.13326899  0.42448502
   0.63496797  0.06512852  0.59606684
   0.81073417  0.20428119  0.79565538
   0.58175435  0.31744455  0.54096533
   0.84012430  0.44674044  0.85669563
   0.93847774  0.40370382  0.67258291
   0.68341813  0.40687493  0.69626014
   0.78001196  0.12893438  0.97443855
   0.52384818  0.11029500  0.93013808
   0.53445785  0.58129305  0.06886670
   0.86428021  0.69468059  0.29605615
   0.61449816  0.84286782  0.04093773
   0.84883783  0.96752234  0.34094519
   0.91271967  0.88958779  0.16535542
   0.67005956  0.85200570  0.21909079
   0.81703861  0.61264760  0.46994748
   0.56239522  0.57498006  0.37839044
   0.58695186  0.59549922  0.56494248
   0.82171763  0.69776981  0.77421387
   0.64389420  0.81090192  0.43775022
   0.87234792  0.94294554  0.85399100
   0.94171765  0.88483187  0.67038532
   0.68253355  0.91832705  0.74130069
   0.74002246  0.64432243  0.95426145
   0.48986757  0.70593992  0.90217139
   0.70905551  0.79613323  0.59278450
   0.60267685  0.87881301  0.40166342
   0.86562842  0.22238715  0.09631214
   1.02099804  0.41239469  0.34242535
   0.35856495  0.08177872  0.62594712
   0.21997029  0.75285584  0.76015989
  -0.01789264  1.12437567  0.11584838
   0.23310080  1.08978777  0.02744600
   0.60673230  0.35131931  0.86073570
   0.87532514  0.37843400  0.63283357
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832739    0.646429   -0.022430
    -0.000000    9.857321    0.323088
    -0.000000    0.000000   13.923798
   Si   O    H 
    32    64    10
Direct configuration=   938
   0.15568770  0.19642672 -0.03440834
   0.36349267  0.10534457  0.37747376
   0.10178608  0.42173017  0.11326024
   0.35018569  0.36040846  0.26056973
   0.09450466  0.17764443  0.48862479
   0.40630672  0.15832799  0.85177085
   0.08489669  0.42737486  0.62619938
   0.34123788  0.40411418  0.74339755
   0.09968640  0.68275482  0.00190961
   0.39084113  0.59467313  0.37629456
   0.07285436  0.91861083  0.13912068
   0.32702127  0.86183693  0.26120626
   0.16383772  0.67176445  0.50102631
   0.35371053  0.64735658  0.87616313
   0.07871169  0.92204014  0.61069176
   0.34791348  0.98149302  0.69920841
   0.62365073  0.16628754  1.01106238
   0.85610708  0.12958930  0.36150999
   0.59209242  0.43861465  0.11999657
   0.85259383  0.30943175  0.18060202
   0.62085852  0.16605193  0.50789360
   0.88197483  0.10134226  0.88143730
   0.56645765  0.44250201  0.61662521
   0.73405415  0.34706413  0.80447586
   0.59718363  0.69798200 -0.00772948
   0.92445370  0.59480719  0.38288747
   0.57123152  0.91729343  0.13659017
   0.82357054  0.85126848  0.25995580
   0.65211078  0.64772605  0.45808547
   0.84977307  0.59941228  0.86974591
   0.62684926  0.90283573  0.63511543
   0.83077379  0.85835599  0.76194042
   0.07625976  0.08869829  0.12521958
   0.33810164  0.20949450  0.29487583
   0.07954917  0.32318621  0.01895824
   0.32256771  0.45905876  0.34923758
   0.50103391  0.37640329  0.20879207
   0.24975672  0.40789838  0.17324379
   0.24449380  0.11697719  0.46248572
   0.00249590  0.18450298  0.38712846
   0.03352106  0.07327467  0.56155750
   0.43606374  0.25750857  0.76248820
   0.12079927  0.33056050  0.53706086
   0.37702966  0.47977434  0.84480049
   0.41299870  0.48248679  0.65072420
   0.18077907  0.39652579  0.71983428
   0.27699668  0.23633789 -0.11034546
   0.03692426  0.12343979  0.90460351
   0.06849157  0.56956540  0.08023538
   0.35075706  0.70627313  0.29046167
   0.10925733  0.83271143  0.04751494
   0.37530463  0.94360364  0.35005932
   0.41785624  0.91128241  0.16954382
   0.16842280  0.87312344  0.23069478
   0.32945811  0.64672984  0.47616774
   0.07168933  0.64727151  0.40779957
   0.09896919  0.57689248  0.59027023
   0.29998842  0.69460141  0.77662247
   0.11484209  0.82970919  0.51794748
   0.36661954  1.00463579  0.80927428
   0.46723530  0.88347133  0.64829522
   0.20056225  0.92545305  0.68887604
   0.25684157  0.66295586 -0.03284410
  -0.00722850  0.65208967  0.91385707
   0.60632114  0.07188515  0.10752556
   0.78982404  0.21548469  0.26287035
   0.58546868  0.32329606  0.03553374
   0.93663459  0.44299250  0.36276739
   0.01155918  0.36147402  0.19688811
   0.74869053  0.44032807  0.15599697
   0.76383345  0.16513132  0.45512227
   0.50843427  0.13286904  0.42589388
   0.63493705  0.06612016  0.59704695
   0.81001152  0.20477493  0.79581488
   0.58068026  0.31831227  0.54084188
   0.84044924  0.44652975  0.85457533
   0.93644192  0.40219062  0.67246029
   0.68485947  0.40584526  0.69672758
   0.78193642  0.13004566  0.97480101
   0.52410363  0.10988791  0.93071417
   0.53361732  0.58279501  0.06904718
   0.86341590  0.69503780  0.29607749
   0.61153054  0.84301987  0.04049982
   0.85051689  0.96725346  0.34167069
   0.91342373  0.88900432  0.16691000
   0.67022042  0.85290230  0.21976443
   0.81656871  0.61397642  0.47155527
   0.56460026  0.57477389  0.37882679
   0.58646087  0.59549682  0.56543482
   0.82048884  0.69557376  0.77469551
   0.64454080  0.81131172  0.43901423
   0.87232267  0.94156656  0.85360133
   0.94310330  0.88553485  0.67069000
   0.68419347  0.91815570  0.74182798
   0.73896215  0.64473424  0.95254680
   0.49144830  0.70579298  0.90294618
   0.70970556  0.80029868  0.59929988
   0.59926197  0.88480054  0.39919661
   0.86191485  0.21934070  0.09602070
   1.00961982  0.40637534  0.33560206
   0.35514054  0.09039217  0.62336975
   0.21820206  0.75323631  0.75929588
  -0.02198478  1.12498388  0.11249597
   0.23698930  1.09732282  0.02722881
   0.60981098  0.34930677  0.86293198
   0.87105284  0.37256712  0.62628002
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831679    0.646662   -0.025186
    -0.000000    9.856440    0.324607
    -0.000000    0.000000   13.924492
   Si   O    H 
    32    64    10
Direct configuration=   939
   0.15558009  0.19557561 -0.03414913
   0.36273979  0.10421897  0.37757241
   0.10341004  0.42230873  0.11367172
   0.35040663  0.36167572  0.26046862
   0.09420157  0.17721294  0.48838897
   0.40700842  0.15781763  0.85186102
   0.08498384  0.42906632  0.62589747
   0.34061109  0.40485405  0.74316640
   0.10018441  0.68304258  0.00151725
   0.38932451  0.59475813  0.37692449
   0.07116105  0.91821290  0.13922117
   0.32725286  0.86040673  0.26078865
   0.16380988  0.67302702  0.50150519
   0.35443307  0.64856192  0.87558633
   0.07971913  0.92124782  0.61022774
   0.34890221  0.98177368  0.69910275
   0.62383582  0.16743684  1.01051745
   0.85641500  0.13009652  0.36199456
   0.59197698  0.43978334  0.11943918
   0.85353759  0.30833107  0.18114279
   0.62010409  0.16646796  0.50696459
   0.88085829  0.09978406  0.88176207
   0.56746720  0.44445124  0.61590785
   0.73430888  0.34610789  0.80422183
   0.59738865  0.69870468 -0.00787771
   0.92454145  0.59510864  0.38208843
   0.57130815  0.91645134  0.13604501
   0.82259466  0.85013701  0.26002996
   0.65304894  0.64792261  0.45807388
   0.84835636  0.59911505  0.86880488
   0.62398344  0.90223162  0.63598671
   0.83109906  0.85760974  0.76244451
   0.07590958  0.08828731  0.12618546
   0.33952531  0.20862252  0.29456187
   0.08022014  0.32246910  0.02001013
   0.32326309  0.45827435  0.34861679
   0.49985260  0.37843229  0.20823808
   0.24958002  0.40755462  0.17302311
   0.24566509  0.11704500  0.46286863
   0.00088753  0.18582375  0.38636832
   0.03111848  0.07205888  0.56141428
   0.43590439  0.25711159  0.76285830
   0.12004999  0.33330930  0.53567357
   0.37845489  0.47780515  0.84365032
   0.41470310  0.48147329  0.65070285
   0.18072061  0.39523170  0.72040524
   0.27623714  0.23706438 -0.10957105
   0.03586804  0.12347205  0.90561212
   0.06826480  0.57027955  0.07894607
   0.35016023  0.70538463  0.29037829
   0.10800759  0.83139539  0.04776484
   0.37517787  0.94235176  0.34985292
   0.41489136  0.91299017  0.17052196
   0.16820551  0.87329089  0.23134127
   0.32829609  0.64667986  0.47591528
   0.07138579  0.64684361  0.40962790
   0.09954359  0.57692623  0.58964246
   0.29819020  0.69505186  0.77639150
   0.11327119  0.83196923  0.51791550
   0.36682328  1.00634734  0.81031762
   0.46667470  0.88377910  0.64912896
   0.20014124  0.92613355  0.68898530
   0.25518548  0.66357392 -0.03226902
  -0.00708246  0.65273124  0.91208357
   0.60698096  0.07084316  0.10720430
   0.78821350  0.21505850  0.26353494
   0.58375667  0.32566205  0.03435612
   0.93691258  0.44352836  0.36322549
   0.01387714  0.36051460  0.19777595
   0.74938913  0.43737027  0.15672965
   0.76240905  0.16543959  0.45379739
   0.50708387  0.13245537  0.42692117
   0.63488144  0.06623962  0.59863997
   0.80997321  0.20405847  0.79608025
   0.57929488  0.31900708  0.54025931
   0.84125652  0.44577881  0.85254835
   0.93408958  0.40095065  0.67196643
   0.68571142  0.40515658  0.69709492
   0.78315253  0.13063142  0.97452900
   0.52471598  0.10952101  0.93151178
   0.53335722  0.58368571  0.06926489
   0.86284690  0.69620374  0.29531587
   0.60856965  0.84285646  0.03937408
   0.85269355  0.96717287  0.34222192
   0.91516217  0.88775172  0.16841447
   0.66970997  0.85453748  0.22041578
   0.81637760  0.61457872  0.47324393
   0.56465582  0.57450869  0.37920684
   0.58683786  0.59525213  0.56549402
   0.81968048  0.69307580  0.77532032
   0.64568106  0.81183292  0.44073397
   0.87288878  0.94077118  0.85356304
   0.94362151  0.88679098  0.67078490
   0.68518979  0.91903118  0.74244338
   0.73803552  0.64474774  0.95076896
   0.49331539  0.70649234  0.90375783
   0.71277290  0.80060269  0.60464224
   0.59278047  0.88985814  0.39622038
   0.85620114  0.21684498  0.09306585
   1.01808964  0.38921735  0.32105381
   0.35098015  0.10027973  0.62123249
   0.22132593  0.75354408  0.76039032
  -0.02208781  1.12360257  0.11003904
   0.24134566  1.10226332  0.02618705
   0.61494734  0.34707544  0.86391953
   0.86465626  0.36679916  0.62173250
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831067    0.647018   -0.027717
    -0.000000    9.855823    0.326228
    -0.000000    0.000000   13.925568
   Si   O    H 
    32    64    10
Direct configuration=   940
   0.15560164  0.19528878 -0.03411823
   0.36220411  0.10270187  0.37780285
   0.10595236  0.42214614  0.11409927
   0.35065333  0.36247787  0.25988202
   0.09455999  0.17719130  0.48821304
   0.40857802  0.15688268  0.85162117
   0.08490613  0.43002898  0.62536285
   0.34015346  0.40615506  0.74288546
   0.10020889  0.68394103  0.00059249
   0.38852560  0.59541521  0.37699633
   0.06921025  0.91807497  0.13966440
   0.32744067  0.85901143  0.26065486
   0.16363972  0.67404174  0.50181880
   0.35453520  0.64894070  0.87520001
   0.08007461  0.92083354  0.61008598
   0.35002439  0.98184115  0.69881258
   0.62443477  0.16783401  1.00936955
   0.85681406  0.13027663  0.36271450
   0.59148068  0.44121757  0.11879287
   0.85394487  0.30725379  0.18143053
   0.61905389  0.16741567  0.50563241
   0.87959994  0.09862557  0.88162789
   0.56819273  0.44602291  0.61547274
   0.73492817  0.34515371  0.80403418
   0.59744688  0.69918366 -0.00804845
   0.92472201  0.59605973  0.38160950
   0.57105311  0.91605308  0.13546527
   0.82226662  0.84945703  0.26059140
   0.65374090  0.64832410  0.45804508
   0.84731675  0.59937221  0.86840902
   0.62076132  0.90203646  0.63683691
   0.83205698  0.85684802  0.76263690
   0.07505819  0.08773237  0.12723929
   0.34042963  0.20926245  0.29338178
   0.08077162  0.32233372  0.02083436
   0.32374211  0.45730061  0.34861427
   0.49867801  0.38100017  0.20759507
   0.24893387  0.40753787  0.17240617
   0.24698179  0.11781499  0.46261118
  -0.00070243  0.18696240  0.38566810
   0.02850509  0.07119147  0.56141690
   0.43553309  0.25653727  0.76244285
   0.11866332  0.33556753  0.53406290
   0.38038648  0.47658194  0.84306860
   0.41633351  0.47997195  0.65110259
   0.18045931  0.39385593  0.72143255
   0.27456642  0.23710216 -0.10835604
   0.03441060  0.12338073  0.90627410
   0.06780959  0.57140441  0.07746043
   0.35023682  0.70359792  0.29039360
   0.10718349  0.82965800  0.04783585
   0.37445958  0.94122609  0.34978079
   0.41302173  0.91440369  0.17148021
   0.16808449  0.87303560  0.23207277
   0.32763176  0.64683204  0.47615914
   0.07029771  0.64646153  0.41155138
   0.10040824  0.57735975  0.58837150
   0.29680118  0.69599807  0.77549229
   0.11286074  0.83370962  0.51754898
   0.36761949  1.00775342  0.81119414
   0.46636777  0.88271943  0.64991759
   0.19952227  0.92656342  0.68889622
   0.25403099  0.66376767 -0.03221814
  -0.00626228  0.65392533  0.91056828
   0.60737000  0.06945926  0.10673439
   0.78672891  0.21396822  0.26445521
   0.58271280  0.32784952  0.03331612
   0.93818105  0.44297307  0.36284890
   0.01482728  0.35981536  0.19851439
   0.75050622  0.43481857  0.15778381
   0.76090318  0.16561170  0.45294030
   0.50565285  0.13258923  0.42777896
   0.63534242  0.06642635  0.59982351
   0.80980560  0.20160061  0.79684123
   0.57814220  0.32098503  0.53954702
   0.84123660  0.44496212  0.85176514
   0.93281456  0.39908089  0.67145186
   0.68593829  0.40427533  0.69723333
   0.78323234  0.13106316  0.97403629
   0.52495723  0.11015270  0.93220286
   0.53319059  0.58425047  0.06981694
   0.86278308  0.69729015  0.29414500
   0.60591783  0.84283006  0.03846089
   0.85442832  0.96657878  0.34218799
   0.91707786  0.88660264  0.16936539
   0.66906611  0.85536769  0.22133955
   0.81631244  0.61486115  0.47408690
   0.56451400  0.57503415  0.37984077
   0.58779622  0.59516502  0.56542242
   0.81929922  0.69124639  0.77572694
   0.64611326  0.81411333  0.44211084
   0.87394478  0.94037306  0.85347221
   0.94332723  0.88809619  0.67091009
   0.68647829  0.91971249  0.74270366
   0.73757449  0.64482692  0.94954847
   0.49605282  0.70747343  0.90445298
   0.72129109  0.79706747  0.60446181
   0.59338489  0.88293376  0.39753325
   0.84957399  0.22185786  0.09210436
   1.01574911  0.37701203  0.31265322
   0.34799063  0.10531914  0.62285760
   0.22011002  0.75845754  0.76002554
  -0.01615368  1.12309085  0.10990542
   0.24718015  1.10663827  0.02569983
   0.61667366  0.34394866  0.86546655
   0.86234800  0.36541923  0.62373511
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830605    0.647338   -0.029879
    -0.000000    9.855543    0.327688
    -0.000000    0.000000   13.926599
   Si   O    H 
    32    64    10
Direct configuration=   941
   0.15594740  0.19532102 -0.03411963
   0.36203690  0.10133257  0.37866768
   0.10831173  0.42115361  0.11458834
   0.35032613  0.36380600  0.25861601
   0.09485446  0.17751310  0.48754573
   0.40949581  0.15580793  0.85175382
   0.08441981  0.43046050  0.62501967
   0.33978457  0.40717867  0.74285803
   0.09943910  0.68494310 -0.00063909
   0.38792881  0.59621207  0.37723911
   0.06750792  0.91749389  0.13958663
   0.32875695  0.85826673  0.26013858
   0.16335477  0.67537857  0.50211607
   0.35481578  0.64868292  0.87495122
   0.08054190  0.92013921  0.60980784
   0.35067601  0.98187091  0.69786809
   0.62475338  0.16833581  1.00889853
   0.85638663  0.12992812  0.36342439
   0.59155269  0.44154497  0.11826418
   0.85449574  0.30580517  0.18208139
   0.61789010  0.16867888  0.50467179
   0.87848999  0.09763976  0.88125242
   0.56881245  0.44744187  0.61519605
   0.73503307  0.34432400  0.80412120
   0.59715488  0.69851874 -0.00816005
   0.92487357  0.59662040  0.38145311
   0.57102520  0.91523127  0.13483339
   0.82234268  0.84900104  0.26106801
   0.65442794  0.64914135  0.45829316
   0.84666292  0.59979295  0.86844189
   0.61794380  0.90216033  0.63772463
   0.83338927  0.85591340  0.76216858
   0.07433131  0.08673334  0.12829863
   0.34054283  0.21014667  0.29187265
   0.08162093  0.32272643  0.02169936
   0.32443592  0.45647214  0.34890190
   0.49764122  0.38393370  0.20728003
   0.24817123  0.40705201  0.17172885
   0.24812858  0.11840874  0.46267203
  -0.00077409  0.18732630  0.38529354
   0.02607115  0.07091604  0.56201287
   0.43593896  0.25599094  0.76139422
   0.11787535  0.33757189  0.53242207
   0.38243250  0.47556011  0.84257372
   0.41626126  0.47883739  0.65125169
   0.17983268  0.39275045  0.72199046
   0.27316657  0.23698523 -0.10748349
   0.03300115  0.12388391  0.90648392
   0.06750975  0.57231169  0.07575016
   0.35035650  0.70139373  0.29061155
   0.10716541  0.82800259  0.04786378
   0.37356809  0.94063281  0.34969237
   0.41158217  0.91526382  0.17270034
   0.16825077  0.87272111  0.23249679
   0.32655999  0.64654140  0.47614769
   0.07053197  0.64624588  0.41304451
   0.10151965  0.57831419  0.58676883
   0.29537771  0.69688911  0.77453399
   0.11375426  0.83505240  0.51712452
   0.36809339  1.00975129  0.81177166
   0.46511536  0.88178070  0.64976549
   0.19909167  0.92648058  0.68844420
   0.25341514  0.66474131 -0.03227205
  -0.00491741  0.65491541  0.90893481
   0.60764113  0.06789933  0.10643258
   0.78480932  0.21246618  0.26566924
   0.58252416  0.32927120  0.03270939
   0.94080339  0.44109711  0.36192087
   0.01438992  0.35956978  0.19919762
   0.75206933  0.43206124  0.15861946
   0.76017675  0.16555371  0.45201991
   0.50435972  0.13315085  0.42873657
   0.63590398  0.06633355  0.60031741
   0.80994411  0.19869549  0.79818196
   0.57707483  0.32317179  0.53940864
   0.84136647  0.44399005  0.85122329
   0.93140473  0.39723573  0.67066993
   0.68579574  0.40407825  0.69681529
   0.78301187  0.13126780  0.97338545
   0.52522247  0.11087851  0.93267462
   0.53329783  0.58503967  0.06991829
   0.86294322  0.69799134  0.29210944
   0.60330848  0.84272779  0.03782313
   0.85575616  0.96668834  0.34229201
   0.91819567  0.88582277  0.16991420
   0.66819812  0.85570722  0.22253643
   0.81654929  0.61437723  0.47453573
   0.56435634  0.57575551  0.38004021
   0.58831642  0.59633823  0.56488858
   0.81865858  0.68958104  0.77649240
   0.64627281  0.81598737  0.44320576
   0.87489080  0.94048319  0.85338344
   0.94329876  0.88904503  0.67095807
   0.68673105  0.92079325  0.74267820
   0.73733195  0.64485135  0.94850433
   0.49850538  0.70780672  0.90477867
   0.72490638  0.79614070  0.60271789
   0.59419012  0.86691981  0.40058464
   0.84465921  0.22556026  0.09254413
   1.00938109  0.37398758  0.30943634
   0.34596634  0.11308554  0.62766848
   0.21846584  0.76470383  0.75995174
  -0.01445223  1.12269391  0.11147538
   0.25258836  1.10799360  0.02406297
   0.61778129  0.34264840  0.86922069
   0.86858329  0.36767053  0.63071991
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830455    0.647305   -0.031457
    -0.000000    9.855456    0.329180
    -0.000000    0.000000   13.927753
   Si   O    H 
    32    64    10
Direct configuration=   942
   0.15584892  0.19492858 -0.03418159
   0.36174971  0.09994039  0.38012135
   0.11022334  0.41972918  0.11483163
   0.34992435  0.36517952  0.25722138
   0.09552794  0.17753320  0.48718615
   0.41001625  0.15497517  0.85145768
   0.08371310  0.43053482  0.62488404
   0.33929712  0.40808287  0.74265880
   0.09799883  0.68578904 -0.00211487
   0.38725972  0.59710188  0.37764280
   0.06629854  0.91733668  0.13942941
   0.32908786  0.85736648  0.25952814
   0.16308046  0.67669969  0.50244980
   0.35587570  0.64806664  0.87479826
   0.08037067  0.92007872  0.60969836
   0.35090318  0.98240830  0.69668505
   0.62480598  0.16868860  1.00833009
   0.85538492  0.12979375  0.36398140
   0.59156473  0.44100367  0.11821998
   0.85473317  0.30435982  0.18266480
   0.61657076  0.16955446  0.50404807
   0.87704440  0.09700856  0.88053577
   0.56976094  0.44875650  0.61470669
   0.73457440  0.34315361  0.80405792
   0.59694129  0.69741073 -0.00822798
   0.92495421  0.59731357  0.38109262
   0.57065556  0.91415154  0.13452469
   0.82256624  0.84929471  0.26225000
   0.65521701  0.64968639  0.45861328
   0.84609324  0.60050487  0.86879340
   0.61537044  0.90205425  0.63820099
   0.83512855  0.85438255  0.76181085
   0.07409364  0.08528140  0.12907013
   0.34019961  0.21153530  0.28967002
   0.08276573  0.32302658  0.02290627
   0.32583305  0.45547937  0.34881220
   0.49624713  0.38665749  0.20696178
   0.24771849  0.40637672  0.17086585
   0.24923962  0.11893764  0.46277877
  -0.00029551  0.18733808  0.38487791
   0.02360473  0.07086059  0.56242977
   0.43688190  0.25542919  0.76036080
   0.11682816  0.33865722  0.53115064
   0.38437944  0.47571375  0.84257262
   0.41530952  0.47667832  0.65205641
   0.17904144  0.39151312  0.72216682
   0.27202563  0.23625327 -0.10617440
   0.03176972  0.12389224  0.90653571
   0.06754787  0.57301985  0.07433927
   0.34961813  0.69862519  0.29088425
   0.10722984  0.82701633  0.04897410
   0.37290200  0.94077494  0.34913961
   0.41100465  0.91580899  0.17397240
   0.16873367  0.87265902  0.23266012
   0.32525201  0.64637204  0.47655865
   0.07052403  0.64562168  0.41372141
   0.10213706  0.58065788  0.58492368
   0.29369070  0.69781149  0.77322963
   0.11474497  0.83645837  0.51697653
   0.36872414  1.01092572  0.81224409
   0.46325542  0.88055812  0.64918409
   0.19914158  0.92562571  0.68805263
   0.25231967  0.66582965 -0.03257431
  -0.00431870  0.65592721  0.90778340
   0.60808365  0.06733770  0.10582509
   0.78331352  0.21100853  0.26681992
   0.58248094  0.32975945  0.03233593
   0.94349158  0.43836089  0.36087550
   0.01339559  0.35937065  0.19909899
   0.75338759  0.42946039  0.15935116
   0.75979079  0.16564020  0.45075457
   0.50232703  0.13334818  0.43038975
   0.63584276  0.06654835  0.60056022
   0.81057045  0.19458605  0.79902155
   0.57505967  0.32449101  0.53921187
   0.84193066  0.44335085  0.85082252
   0.93108623  0.39581787  0.67048462
   0.68513766  0.40343872  0.69659253
   0.78267822  0.13213528  0.97291258
   0.52404254  0.11244301  0.93253739
   0.53362986  0.58584450  0.06928844
   0.86334453  0.69844123  0.29105661
   0.60119239  0.84308158  0.03689883
   0.85694919  0.96609562  0.34247993
   0.91849649  0.88508065  0.17047540
   0.66737182  0.85627954  0.22363450
   0.81703940  0.61457715  0.47495817
   0.56429465  0.57682862  0.38007027
   0.58949708  0.59768768  0.56425473
   0.81745499  0.68814400  0.77684840
   0.64678471  0.81669122  0.44479325
   0.87592724  0.93945076  0.85347455
   0.94338391  0.88967446  0.67135400
   0.68661606  0.92151686  0.74245039
   0.73667604  0.64455077  0.94686391
   0.49941927  0.70789790  0.90433440
   0.72335301  0.80261652  0.60078678
   0.58595873  0.86203008  0.39510642
   0.84211647  0.23149717  0.09530192
   1.00333684  0.38035609  0.31141513
   0.34459998  0.11468956  0.63519777
   0.22055906  0.76997337  0.76120864
  -0.02300135  1.13061342  0.11175158
   0.25277692  1.10827336  0.02369849
   0.62008778  0.34450743  0.87074311
   0.86314277  0.36598358  0.62977069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830057    0.647221   -0.033079
    -0.000000    9.855205    0.330440
    -0.000000    0.000000   13.928851
   Si   O    H 
    32    64    10
Direct configuration=   943
   0.15594964  0.19455555 -0.03397945
   0.36148649  0.09872837  0.38120079
   0.11162078  0.41834370  0.11506396
   0.34972737  0.36642524  0.25558279
   0.09615922  0.17834352  0.48693663
   0.41048410  0.15412794  0.85133228
   0.08297211  0.42994790  0.62489696
   0.33896383  0.40938342  0.74236708
   0.09655331  0.68621198 -0.00344571
   0.38668917  0.59762495  0.37788968
   0.06565522  0.91746500  0.13961477
   0.32912938  0.85557908  0.25898575
   0.16273266  0.67799417  0.50327049
   0.35653196  0.64690836  0.87482656
   0.08002298  0.92001171  0.60996878
   0.35053489  0.98333151  0.69590052
   0.62522030  0.16875775  1.00756171
   0.85367456  0.12963194  0.36418292
   0.59176891  0.43984193  0.11825241
   0.85525055  0.30293756  0.18369629
   0.61530561  0.17024250  0.50430556
   0.87585772  0.09622440  0.88038453
   0.57075059  0.44956862  0.61457875
   0.73453259  0.34254646  0.80336082
   0.59701648  0.69591308 -0.00817331
   0.92457417  0.59769025  0.38075938
   0.57077301  0.91281952  0.13453681
   0.82270269  0.84932017  0.26318252
   0.65638502  0.65056677  0.45917067
   0.84562341  0.60081814  0.86922361
   0.61321472  0.90292318  0.63859761
   0.83677398  0.85321534  0.76171113
   0.07295821  0.08450531  0.12930080
   0.34015358  0.21238664  0.28801317
   0.08354292  0.32425137  0.02374183
   0.32742747  0.45393133  0.34865103
   0.49534550  0.38902979  0.20631822
   0.24761000  0.40546190  0.17062321
   0.24975848  0.12019229  0.46293532
   0.00119412  0.18759468  0.38438370
   0.02242188  0.07199554  0.56256855
   0.43739079  0.25522370  0.75951202
   0.11603916  0.33958402  0.53023076
   0.38667884  0.47671133  0.84193403
   0.41389264  0.47424120  0.65348344
   0.17816096  0.39078280  0.72233660
   0.27078256  0.23651398 -0.10540294
   0.03055359  0.12432201  0.90639204
   0.06804186  0.57349518  0.07387410
   0.34891326  0.69614489  0.29099772
   0.10684639  0.82695832  0.05018940
   0.37198984  0.94064791  0.34904552
   0.41049733  0.91720667  0.17477552
   0.16761733  0.87276878  0.23252257
   0.32396924  0.64664257  0.47715771
   0.07023810  0.64590067  0.41379500
   0.10207140  0.58312713  0.58284743
   0.29210294  0.69911419  0.77166358
   0.11544126  0.83799296  0.51581319
   0.36824756  1.01096271  0.81223619
   0.46105953  0.87886811  0.64818492
   0.19897659  0.92509708  0.68828749
   0.25240519  0.66643827 -0.03381974
  -0.00415782  0.65681785  0.90689816
   0.60996045  0.06725000  0.10544066
   0.78171031  0.20933405  0.26797261
   0.58378780  0.32998554  0.03231448
   0.94595935  0.43560010  0.36013658
   0.01290626  0.35953799  0.19893815
   0.75317067  0.42791106  0.15964759
   0.75937727  0.16523618  0.45000700
   0.50154553  0.13340674  0.43246897
   0.63542627  0.06657219  0.60008081
   0.81126841  0.19100523  0.79979002
   0.57316581  0.32564559  0.53943232
   0.84219751  0.44239130  0.85088970
   0.93191709  0.39493143  0.67022274
   0.68441078  0.40331870  0.69661893
   0.78277984  0.13315042  0.97264591
   0.52279103  0.11440442  0.93179697
   0.53425328  0.58627100  0.06906717
   0.86302195  0.69845427  0.29083703
   0.59911150  0.84195092  0.03586054
   0.85827449  0.96506203  0.34280259
   0.91835800  0.88435271  0.17181877
   0.66618033  0.85611006  0.22478226
   0.81786557  0.61461443  0.47501928
   0.56437193  0.57739341  0.38018032
   0.59052156  0.59936412  0.56428502
   0.81675851  0.68752733  0.77650812
   0.64697622  0.81792708  0.44598412
   0.87684411  0.93909241  0.85353186
   0.94308236  0.89003397  0.67160136
   0.68613411  0.92321931  0.74243189
   0.73681908  0.64483472  0.94600779
   0.49943768  0.70758967  0.90373227
   0.71708891  0.80827654  0.59920497
   0.57790817  0.85546003  0.39142485
   0.84078393  0.23247725  0.09755720
   0.99824981  0.39059052  0.31919452
   0.34141741  0.10944943  0.64592482
   0.22398014  0.77534991  0.76224302
  -0.02144270  1.13322648  0.11118410
   0.24869591  1.10217234  0.02673511
   0.61954728  0.34859994  0.86969610
   0.85456914  0.36217399  0.62440976
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829644    0.646927   -0.034638
    -0.000000    9.854920    0.331681
    -0.000000    0.000000   13.929941
   Si   O    H 
    32    64    10
Direct configuration=   944
   0.15605902  0.19432783 -0.03408416
   0.36146224  0.09785983  0.38186029
   0.11270872  0.41736809  0.11554047
   0.34885253  0.36748231  0.25372918
   0.09686682  0.17959607  0.48633145
   0.41074961  0.15374796  0.85118089
   0.08201214  0.42969884  0.62492268
   0.33915124  0.41024331  0.74235706
   0.09519476  0.68629155 -0.00505479
   0.38648603  0.59748310  0.37798483
   0.06532974  0.91675113  0.13979487
   0.32904512  0.85339938  0.25863608
   0.16266307  0.67897352  0.50400810
   0.35740334  0.64553035  0.87513601
   0.07899576  0.92048400  0.61060019
   0.35047455  0.98481869  0.69548696
   0.62557545  0.16887602  1.00770702
   0.85203328  0.12932345  0.36403693
   0.59201381  0.43852286  0.11826995
   0.85643129  0.30133343  0.18485446
   0.61366035  0.17110452  0.50465611
   0.87498090  0.09521838  0.88074133
   0.57160397  0.44960790  0.61419003
   0.73548128  0.34258481  0.80309260
   0.59744870  0.69431232 -0.00787038
   0.92391655  0.59793335  0.38054066
   0.57121325  0.91137856  0.13499569
   0.82248483  0.84938234  0.26409530
   0.65731205  0.65105149  0.45985024
   0.84594273  0.60084189  0.86974026
   0.61191489  0.90378029  0.63870594
   0.83805004  0.85211984  0.76132505
   0.07170967  0.08441632  0.12896514
   0.34016523  0.21233523  0.28638614
   0.08469178  0.32570261  0.02360844
   0.32907762  0.45356804  0.34893335
   0.49534342  0.39084644  0.20552782
   0.24789297  0.40431444  0.17004943
   0.25016317  0.12098511  0.46276877
   0.00325623  0.18757654  0.38447049
   0.02203410  0.07269742  0.56273143
   0.43845194  0.25589741  0.75858135
   0.11540478  0.33969732  0.52934765
   0.38777820  0.47758873  0.84199362
   0.41253710  0.47151434  0.65456672
   0.17713389  0.39118503  0.72195069
   0.26996850  0.23719199 -0.10492413
   0.02993414  0.12476184  0.90618009
   0.06796936  0.57389486  0.07396060
   0.34818759  0.69495921  0.29045524
   0.10688387  0.82686644  0.05090522
   0.37089880  0.94107812  0.34913804
   0.41062483  0.91884960  0.17512335
   0.16713899  0.87312215  0.23307884
   0.32323428  0.64711489  0.47753480
   0.07041714  0.64548817  0.41390214
   0.10147123  0.58568594  0.58166774
   0.29094614  0.69997126  0.76960404
   0.11708590  0.83934358  0.51497421
   0.36797913  1.01034368  0.81096660
   0.45848331  0.87701952  0.64739093
   0.19883720  0.92479568  0.68828067
   0.25243348  0.66759875 -0.03531695
  -0.00386332  0.65781748  0.90658285
   0.61217689  0.06727145  0.10582066
   0.78049483  0.20799966  0.26931461
   0.58522560  0.32987199  0.03191256
   0.94719929  0.43358504  0.35974713
   0.01255756  0.35883625  0.19870624
   0.75255098  0.42836589  0.15959277
   0.75863898  0.16502915  0.44943129
   0.50067024  0.13282887  0.43422249
   0.63503135  0.06701427  0.59939134
   0.81185102  0.18856189  0.79952509
   0.57127885  0.32634404  0.53926345
   0.84253283  0.44234465  0.85049802
   0.93173101  0.39414901  0.66958013
   0.68397806  0.40300752  0.69668174
   0.78298698  0.13447174  0.97267791
   0.52146191  0.11555717  0.93103363
   0.53474785  0.58660655  0.06938051
   0.86287714  0.69757395  0.29089588
   0.59735504  0.84100245  0.03526053
   0.85892975  0.96459262  0.34340307
   0.91771690  0.88443801  0.17229540
   0.66459939  0.85658412  0.22564635
   0.81846509  0.61465719  0.47498623
   0.56374729  0.57833576  0.38035374
   0.59243389  0.60104641  0.56438354
   0.81553544  0.68757306  0.77516438
   0.64658501  0.81945972  0.44700175
   0.87767148  0.93780244  0.85372753
   0.94210764  0.88990000  0.67227982
   0.68527554  0.92420146  0.74231873
   0.73673870  0.64550864  0.94489149
   0.49914004  0.70717446  0.90273998
   0.70987211  0.81132856  0.59686186
   0.57677900  0.84342495  0.39330955
   0.83840039  0.23021968  0.09732398
   1.01050081  0.38714025  0.31724535
   0.33690597  0.10985964  0.65533471
   0.23053076  0.78244065  0.76444709
  -0.01481190  1.13511152  0.11263520
   0.24220083  1.09466565  0.02903058
   0.61882169  0.35433446  0.86852643
   0.85897810  0.36423653  0.62458260
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829269    0.646810   -0.036427
    -0.000000    9.854973    0.332656
    -0.000000    0.000000   13.931465
   Si   O    H 
    32    64    10
Direct configuration=   945
   0.15601274  0.19384147 -0.03382853
   0.36143967  0.09697581  0.38274944
   0.11202650  0.41632420  0.11555782
   0.34875651  0.36866497  0.25215288
   0.09717793  0.18079903  0.48608455
   0.41077632  0.15368998  0.85120051
   0.08112639  0.42837202  0.62514516
   0.33971724  0.41086629  0.74240304
   0.09434330  0.68618361 -0.00628070
   0.38672067  0.59642773  0.37816307
   0.06562687  0.91599659  0.14008495
   0.32897443  0.85179427  0.25862112
   0.16248451  0.67977595  0.50454733
   0.35743974  0.64317569  0.87496385
   0.07797080  0.92136585  0.61139816
   0.35002148  0.98627599  0.69548471
   0.62603185  0.16892084  1.00836568
   0.85159014  0.12954184  0.36351241
   0.59220397  0.43702620  0.11856049
   0.85794804  0.30015704  0.18546330
   0.61256532  0.17207608  0.50496516
   0.87478552  0.09451826  0.88172196
   0.57263731  0.44944071  0.61377031
   0.73706328  0.34210070  0.80303713
   0.59789165  0.69326649 -0.00779043
   0.92405165  0.59774281  0.38072562
   0.57183521  0.90991362  0.13516347
   0.82263040  0.84980233  0.26414552
   0.65813824  0.65165638  0.46064191
   0.84631885  0.60108663  0.87023405
   0.61127643  0.90476334  0.63888482
   0.83834383  0.85173479  0.76091349
   0.07063393  0.08368338  0.12897999
   0.33977937  0.21100323  0.28540093
   0.08687504  0.32585973  0.02376325
   0.33064100  0.45346810  0.34956280
   0.49614045  0.39284072  0.20484631
   0.24852789  0.40345232  0.16953220
   0.25035532  0.12280305  0.46301578
   0.00562835  0.18671545  0.38453487
   0.02150553  0.07342053  0.56299268
   0.43950891  0.25734515  0.75800270
   0.11490237  0.33917248  0.52832063
   0.38823527  0.47944671  0.84211841
   0.41210464  0.46947327  0.65603146
   0.17700205  0.39204757  0.72098773
   0.27007534  0.23873990 -0.10476551
   0.02975395  0.12495996  0.90594913
   0.06782045  0.57383572  0.07346656
   0.34783135  0.69430129  0.28992619
   0.10676291  0.82725852  0.05163325
   0.37012030  0.94112755  0.34962729
   0.41183783  0.92124146  0.17490416
   0.16750887  0.87347625  0.23334789
   0.32207285  0.64800465  0.47795235
   0.07032613  0.64561710  0.41319363
   0.10083117  0.58710033  0.58069194
   0.29032865  0.70056592  0.76764390
   0.11919565  0.84048485  0.51411874
   0.36828361  1.00963553  0.80981400
   0.45609669  0.87462449  0.64714636
   0.19928918  0.92522505  0.68809296
   0.25344274  0.66796447 -0.03699169
  -0.00287264  0.65904321  0.90514146
   0.61418461  0.06754621  0.10648889
   0.77967222  0.20681564  0.27043635
   0.58649650  0.32916749  0.03110744
   0.94754203  0.43221130  0.35959032
   0.01147177  0.35764428  0.19816694
   0.75073447  0.42939423  0.16010965
   0.75846234  0.16482820  0.44869198
   0.49965142  0.13236190  0.43615354
   0.63489571  0.06717586  0.59873679
   0.81170802  0.18726420  0.79922381
   0.56874424  0.32666651  0.53863397
   0.84222077  0.44248781  0.85060131
   0.93177405  0.39415984  0.66907131
   0.68332388  0.40228215  0.69665182
   0.78373257  0.13491021  0.97254640
   0.52017977  0.11632877  0.93046966
   0.53561403  0.58708294  0.07005132
   0.86324846  0.69633013  0.29099069
   0.59595923  0.84004906  0.03546856
   0.85927193  0.96447779  0.34388952
   0.91700700  0.88403176  0.17292007
   0.66299745  0.85696757  0.22662940
   0.81940405  0.61429372  0.47443597
   0.56321844  0.57874314  0.38044478
   0.59313157  0.60091033  0.56458822
   0.81483264  0.68758884  0.77379315
   0.64534909  0.82106872  0.44768015
   0.87905354  0.93722386  0.85399918
   0.94078523  0.88956233  0.67234251
   0.68455115  0.92482517  0.74199814
   0.73682051  0.64662540  0.94508213
   0.49807003  0.70677672  0.90179133
   0.70093136  0.81450697  0.59245357
   0.57777914  0.83319509  0.39901201
   0.84204577  0.22768396  0.09390416
   1.02511110  0.38421486  0.31526731
   0.33401481  0.12086171  0.65918847
   0.23529286  0.79190044  0.76349751
  -0.00793075  1.13555242  0.11637429
   0.23396484  1.09176988  0.03087855
   0.61729872  0.36275111  0.86716911
   0.86603396  0.36864155  0.62536048
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829176    0.646151   -0.038053
    -0.000000    9.854948    0.333699
    -0.000000    0.000000   13.932869
   Si   O    H 
    32    64    10
Direct configuration=   946
   0.15589878  0.19309149 -0.03350415
   0.36174501  0.09600854  0.38277924
   0.11074930  0.41528602  0.11523911
   0.34878725  0.36955999  0.25100912
   0.09750691  0.18162457  0.48579336
   0.41001435  0.15452216  0.85127682
   0.08044445  0.42666309  0.62560665
   0.34000075  0.41070761  0.74255585
   0.09406204  0.68610268 -0.00689228
   0.38726220  0.59480240  0.37805640
   0.06614234  0.91550484  0.14072103
   0.32770363  0.84984343  0.25875660
   0.16217356  0.68049509  0.50464507
   0.35794015  0.64093373  0.87473413
   0.07665986  0.92240809  0.61258500
   0.34948761  0.98751502  0.69576267
   0.62569505  0.16817547  1.00873981
   0.85146494  0.12967891  0.36317969
   0.59280307  0.43621381  0.11897534
   0.85909193  0.29900055  0.18598484
   0.61211597  0.17377730  0.50562256
   0.87444014  0.09409621  0.88268320
   0.57320675  0.44922346  0.61343526
   0.73866309  0.34200598  0.80286822
   0.59827339  0.69206956 -0.00798490
   0.92427780  0.59713742  0.38140851
   0.57234851  0.90903011  0.13498833
   0.82289263  0.84988318  0.26405982
   0.65875148  0.65197638  0.46128800
   0.84693028  0.60109624  0.87086616
   0.61069538  0.90643457  0.63907837
   0.83888932  0.85168338  0.76060483
   0.07068094  0.08273333  0.12939978
   0.33976396  0.20925889  0.28490954
   0.08937389  0.32615678  0.02392880
   0.33128693  0.45223123  0.35013837
   0.49668988  0.39489904  0.20462265
   0.24936361  0.40263091  0.16857791
   0.25008747  0.12477421  0.46354613
   0.00741727  0.18394978  0.38436826
   0.02145559  0.07391511  0.56326586
   0.44083169  0.25845170  0.75796853
   0.11497193  0.33877245  0.52748676
   0.38778088  0.48096637  0.84204402
   0.41211889  0.46788886  0.65672881
   0.17708455  0.39282792  0.71982368
   0.27046117  0.23997745 -0.10512448
   0.03007993  0.12635056  0.90603315
   0.06745072  0.57350446  0.07404539
   0.34742055  0.69444397  0.28877641
   0.10629310  0.82737907  0.05237006
   0.36947752  0.94122270  0.35020989
   0.41315010  0.92309045  0.17477278
   0.16740246  0.87396068  0.23392848
   0.32161855  0.64858587  0.47833781
   0.06985261  0.64601453  0.41197688
   0.10005580  0.58729242  0.58101666
   0.28922123  0.70154914  0.76637461
   0.11987851  0.84112627  0.51364675
   0.36795679  1.00880939  0.80899598
   0.45380049  0.87195355  0.64722071
   0.19855249  0.92538407  0.68731697
   0.25410319  0.66852233 -0.03838536
  -0.00280894  0.65993818  0.90377729
   0.61610538  0.06806443  0.10729125
   0.77918949  0.20604909  0.27125586
   0.58684387  0.32825767  0.03086274
   0.94873341  0.43103828  0.35944388
   0.00995417  0.35594498  0.19772851
   0.74951193  0.43071820  0.16049351
   0.75786096  0.16421788  0.44896529
   0.49828191  0.13221690  0.43745576
   0.63342471  0.06723197  0.59829592
   0.81116992  0.18756801  0.79878843
   0.56702114  0.32626995  0.53773277
   0.84199090  0.44268242  0.85096816
   0.93240468  0.39389593  0.66899713
   0.68305661  0.40145594  0.69726706
   0.78395982  0.13480417  0.97288418
   0.51938765  0.11716706  0.92943966
   0.53651979  0.58722085  0.07067104
   0.86355454  0.69410463  0.29117905
   0.59505576  0.83982390  0.03573437
   0.85893302  0.96490065  0.34408606
   0.91628677  0.88299448  0.17404207
   0.66120020  0.85693461  0.22817387
   0.82006549  0.61334995  0.47378456
   0.56256890  0.57927073  0.38050101
   0.59362778  0.60041646  0.56535283
   0.81403333  0.68784992  0.77177973
   0.64387104  0.82153212  0.44819005
   0.88079084  0.93624635  0.85437296
   0.94021542  0.88917383  0.67236193
   0.68299760  0.92582084  0.74136616
   0.73637585  0.64769460  0.94538429
   0.49701385  0.70595839  0.90120138
   0.69494710  0.81376523  0.58440348
   0.57464453  0.83282505  0.40300059
   0.85027543  0.22438164  0.09331206
   1.03027553  0.38792591  0.31540312
   0.33009211  0.13339248  0.65804055
   0.24192904  0.79384921  0.76307697
  -0.01562118  1.14216757  0.11511776
   0.22589398  1.08821277  0.03038804
   0.61586551  0.36650339  0.86488821
   0.86497653  0.37154601  0.62121313
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828623    0.645637   -0.039972
    -0.000000    9.854971    0.334997
    -0.000000    0.000000   13.934492
   Si   O    H 
    32    64    10
Direct configuration=   947
   0.15536826  0.19223224 -0.03308557
   0.36234271  0.09487546  0.38192951
   0.10949032  0.41532771  0.11499786
   0.34895794  0.37005979  0.25000920
   0.09735066  0.18222808  0.48557601
   0.40843750  0.15542749  0.85131473
   0.07992663  0.42506320  0.62668324
   0.34014017  0.40970526  0.74283651
   0.09413076  0.68635633 -0.00766347
   0.38824852  0.59363424  0.37761182
   0.06681320  0.91502146  0.14132191
   0.32666354  0.84832721  0.25875024
   0.16197047  0.68097792  0.50409413
   0.35863957  0.63826884  0.87422408
   0.07529154  0.92329763  0.61335794
   0.34911556  0.98830877  0.69582856
   0.62539042  0.16785864  1.00913677
   0.85135271  0.13013026  0.36276927
   0.59342942  0.43530246  0.11974436
   0.85941298  0.29828954  0.18610212
   0.61132259  0.17515727  0.50656939
   0.87523219  0.09355082  0.88362624
   0.57326248  0.44882895  0.61315073
   0.73998685  0.34250250  0.80298976
   0.59794947  0.69129379 -0.00832822
   0.92461484  0.59667095  0.38193604
   0.57244872  0.90849343  0.13502285
   0.82300394  0.85036964  0.26429262
   0.65931147  0.65305404  0.46226851
   0.84757177  0.60098316  0.87193507
   0.61010030  0.90860635  0.63952715
   0.83895111  0.85179492  0.75991683
   0.07080704  0.08133342  0.12995498
   0.34053712  0.20725960  0.28505339
   0.09223217  0.32667585  0.02449987
   0.33178751  0.45072962  0.35042842
   0.49681724  0.39596545  0.20407223
   0.24919179  0.40314795  0.16733012
   0.24905695  0.12662009  0.46387179
   0.00828503  0.18077499  0.38387379
   0.02126935  0.07486258  0.56343464
   0.44175039  0.25860214  0.75832659
   0.11537339  0.33800632  0.52683710
   0.38674084  0.48218725  0.84209915
   0.41359562  0.46647162  0.65614368
   0.17707508  0.39360788  0.71851238
   0.27096769  0.24061216 -0.10581397
   0.03078507  0.12808589  0.90603632
   0.06692567  0.57261419  0.07498326
   0.34761047  0.69344390  0.28774914
   0.10543030  0.82758587  0.05242629
   0.36904040  0.94171885  0.35085916
   0.41472295  0.92417994  0.17413639
   0.16711596  0.87385624  0.23374417
   0.32173808  0.64854016  0.47885126
   0.06840901  0.64612447  0.41045407
   0.09949345  0.58680665  0.58208587
   0.28864585  0.70219695  0.76558770
   0.12078401  0.84164483  0.51346372
   0.36857185  1.00852005  0.80796776
   0.45284235  0.86967123  0.64709086
   0.19853437  0.92486299  0.68688837
   0.25490603  0.66886343 -0.03975947
  -0.00335643  0.66025245  0.90254543
   0.61717162  0.06907974  0.10813885
   0.77910388  0.20577640  0.27173507
   0.58632172  0.32763446  0.03120457
   0.95074695  0.42903732  0.35888004
   0.00922215  0.35421854  0.19754791
   0.74993971  0.43229690  0.16078819
   0.75616382  0.16320130  0.45010981
   0.49732599  0.13148301  0.43796546
   0.63166446  0.06718062  0.59730249
   0.81054491  0.18843083  0.79813371
   0.56606152  0.32591132  0.53681579
   0.84235060  0.44291689  0.85117885
   0.93321468  0.39404092  0.66896940
   0.68310314  0.40128531  0.69739391
   0.78315373  0.13531142  0.97329540
   0.51957594  0.11841682  0.92855768
   0.53786298  0.58713750  0.07111383
   0.86384000  0.69200650  0.29169051
   0.59442605  0.83916015  0.03609019
   0.85850405  0.96544888  0.34456175
   0.91520878  0.88204709  0.17526667
   0.65964396  0.85802571  0.22887254
   0.81963655  0.61293734  0.47270659
   0.56078735  0.57954950  0.38052951
   0.59451322  0.59973008  0.56500971
   0.81359283  0.68795354  0.76998356
   0.64397517  0.82086580  0.44861696
   0.88347097  0.93506923  0.85455995
   0.93920313  0.88877091  0.67225016
   0.68154046  0.92539254  0.74105336
   0.73623510  0.64861503  0.94620489
   0.49590314  0.70590498  0.90072512
   0.68751735  0.80863238  0.57645361
   0.56188573  0.84016944  0.40052647
   0.85873587  0.22328789  0.09484592
   1.02829889  0.39549777  0.32072176
   0.32583765  0.14313423  0.65251734
   0.24733446  0.79325004  0.76321144
  -0.01979546  1.14656921  0.11276464
   0.22051969  1.08239072  0.02865277
   0.61631597  0.36534389  0.86402312
   0.86210402  0.37390295  0.61677797
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828202    0.645665   -0.041541
    -0.000000    9.855154    0.335775
    -0.000000    0.000000   13.935652
   Si   O    H 
    32    64    10
Direct configuration=   948
   0.15525748  0.19167409 -0.03258468
   0.36353278  0.09468408  0.38160168
   0.10830117  0.41526238  0.11494334
   0.34983124  0.37007602  0.24912731
   0.09657497  0.18238998  0.48520377
   0.40665227  0.15689703  0.85115228
   0.07989783  0.42376792  0.62750164
   0.34033246  0.40839828  0.74387436
   0.09472385  0.68646360 -0.00784090
   0.38898965  0.59245404  0.37761537
   0.06725336  0.91496481  0.14220340
   0.32577019  0.84802376  0.25877260
   0.16122521  0.68227318  0.50322129
   0.35918304  0.63565914  0.87299694
   0.07324201  0.92442396  0.61358585
   0.34808759  0.98898564  0.69526003
   0.62482695  0.16774124  1.00982860
   0.85121512  0.13044548  0.36225844
   0.59420872  0.43411167  0.12058691
   0.85902418  0.29834728  0.18645852
   0.61090608  0.17643586  0.50747591
   0.87627050  0.09287481  0.88420102
   0.57290335  0.44844345  0.61317200
   0.74121332  0.34247135  0.80335428
   0.59746685  0.69033331 -0.00848163
   0.92509708  0.59657554  0.38290070
   0.57218486  0.90864445  0.13526682
   0.82324457  0.85131951  0.26458082
   0.65960207  0.65391648  0.46280861
   0.84805180  0.60085415  0.87246834
   0.60956465  0.91064382  0.63951713
   0.83920915  0.85180604  0.75924272
   0.07080129  0.08031140  0.13078198
   0.34146745  0.20498923  0.28603846
   0.09514035  0.32683822  0.02477890
   0.33265720  0.44882563  0.35119854
   0.49670411  0.39722794  0.20377178
   0.24886564  0.40384180  0.16605909
   0.24813581  0.12829389  0.46438376
   0.00857983  0.17775455  0.38386021
   0.02049717  0.07580049  0.56386712
   0.44305964  0.25801007  0.75899729
   0.11600875  0.33760421  0.52732793
   0.38570351  0.48314058  0.84206476
   0.41643091  0.46526838  0.65563192
   0.17708756  0.39410266  0.71726788
   0.27215617  0.24055650 -0.10623439
   0.03121153  0.12928438  0.90596862
   0.06565108  0.57172114  0.07590517
   0.34776100  0.69177959  0.28705583
   0.10421263  0.82752843  0.05170780
   0.36831785  0.94160878  0.35159568
   0.41711351  0.92503559  0.17295383
   0.16680151  0.87309730  0.23352300
   0.32312934  0.64811103  0.47871060
   0.06759346  0.64612976  0.40917295
   0.09888818  0.58527289  0.58387188
   0.28965114  0.70258947  0.76514178
   0.12147640  0.84168454  0.51455362
   0.37028859  1.00809240  0.80715289
   0.45194795  0.86739013  0.64695148
   0.19893514  0.92399693  0.68642183
   0.25518173  0.66976705 -0.04101908
  -0.00394304  0.66126614  0.90153630
   0.61844595  0.07043386  0.10877304
   0.77901567  0.20655741  0.27158331
   0.58624975  0.32750779  0.03135484
   0.95244870  0.42761156  0.35897562
   0.00876364  0.35298309  0.19765933
   0.75040321  0.43346540  0.16134953
   0.75454257  0.16240120  0.45160852
   0.49604025  0.13068406  0.43812831
   0.63007177  0.06731916  0.59630067
   0.80969772  0.18995212  0.79771436
   0.56633760  0.32565435  0.53585821
   0.84252507  0.44337889  0.85176911
   0.93377001  0.39390960  0.66905430
   0.68452020  0.40190621  0.69731625
   0.78195158  0.13565353  0.97353688
   0.52068033  0.11900123  0.92808256
   0.53957341  0.58679483  0.07162842
   0.86472302  0.69036861  0.29224451
   0.59355771  0.83878578  0.03636477
   0.85753683  0.96643144  0.34474806
   0.91463107  0.88103526  0.17551718
   0.65767506  0.85929325  0.23006110
   0.81918237  0.61279410  0.47215849
   0.56008340  0.58002323  0.38072528
   0.59589262  0.59832618  0.56468514
   0.81330126  0.68800901  0.76844303
   0.64309862  0.82010682  0.44818600
   0.88657770  0.93451412  0.85429088
   0.93810095  0.88869415  0.67224907
   0.68042641  0.92428386  0.74060065
   0.73590279  0.64849049  0.94655289
   0.49447774  0.70538875  0.90038166
   0.68259918  0.80717814  0.57399911
   0.55721913  0.84918879  0.40123937
   0.86919131  0.22050163  0.09789522
   1.02435101  0.40235649  0.32648679
   0.32303725  0.14333512  0.64691782
   0.25351168  0.79541647  0.76467647
  -0.01447052  1.14143095  0.11198331
   0.21437814  1.07837566  0.02400002
   0.62081922  0.36360987  0.86186218
   0.86629134  0.37831703  0.61647060
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827363    0.645247   -0.043580
    -0.000000    9.855167    0.336744
    -0.000000    0.000000   13.936558
   Si   O    H 
    32    64    10
Direct configuration=   949
   0.15539097  0.19086708 -0.03209575
   0.36436667  0.09549178  0.38162591
   0.10679463  0.41521020  0.11533502
   0.35047498  0.36980096  0.24877059
   0.09598263  0.18266664  0.48513189
   0.40508916  0.15836477  0.85092860
   0.07960176  0.42255886  0.62800772
   0.34001127  0.40735774  0.74526439
   0.09605466  0.68644360 -0.00760242
   0.39020547  0.59129256  0.37720147
   0.06740696  0.91411607  0.14337425
   0.32531384  0.84834002  0.25896441
   0.16075545  0.68309919  0.50205413
   0.35915973  0.63403063  0.87164361
   0.07078891  0.92559207  0.61360213
   0.34724877  0.98904537  0.69419494
   0.62497833  0.16715252  1.01036658
   0.85111335  0.13064457  0.36230783
   0.59481982  0.43284761  0.12132561
   0.85823250  0.29832017  0.18687563
   0.61077047  0.17724089  0.50864334
   0.87756545  0.09253786  0.88464430
   0.57268689  0.44831531  0.61352648
   0.74207513  0.34236991  0.80348123
   0.59655582  0.68920887 -0.00892827
   0.92580807  0.59636148  0.38384040
   0.57181520  0.90956425  0.13532248
   0.82324356  0.85178555  0.26548859
   0.65934064  0.65458847  0.46308209
   0.84887875  0.60144685  0.87209512
   0.60895352  0.91307620  0.63935257
   0.83954442  0.85166626  0.75885144
   0.07084452  0.07981446  0.13177963
   0.34102477  0.20215551  0.28704154
   0.09732007  0.32676886  0.02439031
   0.33412853  0.44620547  0.35150652
   0.49668800  0.39872737  0.20308593
   0.24925249  0.40499338  0.16478978
   0.24829420  0.12922184  0.46452225
   0.00914339  0.17382596  0.38428277
   0.01997676  0.07737342  0.56430901
   0.44370281  0.25711638  0.75929667
   0.11721483  0.33605306  0.52765985
   0.38422441  0.48376735  0.84188048
   0.41951486  0.46417827  0.65466605
   0.17751081  0.39409769  0.71579022
   0.27296912  0.24069181 -0.10642064
   0.03137173  0.13032767  0.90562261
   0.06391758  0.57174473  0.07670085
   0.34778274  0.68988421  0.28681156
   0.10346460  0.82701576  0.05008351
   0.36773313  0.94077482  0.35242891
   0.41872712  0.92582449  0.17234095
   0.16645211  0.87258664  0.23297595
   0.32413355  0.64826570  0.47853915
   0.06767533  0.64653673  0.40837825
   0.09809499  0.58386417  0.58576929
   0.29075378  0.70314026  0.76476395
   0.12283739  0.84175364  0.51568031
   0.37148096  1.00758862  0.80678709
   0.45134806  0.86585393  0.64693110
   0.19920490  0.92260009  0.68579332
   0.25629288  0.67107044 -0.04229499
  -0.00415863  0.66192224  0.90107129
   0.61982127  0.07060658  0.10970423
   0.77898923  0.20761835  0.27105620
   0.58689480  0.32819709  0.03213984
   0.95320808  0.42830594  0.36005144
   0.00807777  0.35252394  0.19668136
   0.75089089  0.43352329  0.16213831
   0.75363753  0.16248276  0.45317381
   0.49524747  0.13040905  0.43862572
   0.62907640  0.06718993  0.59473218
   0.80894680  0.19163757  0.79752105
   0.56601241  0.32530498  0.53525402
   0.84307183  0.44397914  0.85242441
   0.93424065  0.39339084  0.66923017
   0.68566814  0.40187888  0.69654278
   0.78119535  0.13595353  0.97353575
   0.52206941  0.11999042  0.92798773
   0.54086301  0.58602479  0.07160509
   0.86534950  0.68954484  0.29326776
   0.59360791  0.83806641  0.03715368
   0.85669745  0.96762391  0.34408250
   0.91325949  0.87884516  0.17505607
   0.65633666  0.86014388  0.23182111
   0.81803763  0.61227535  0.47126698
   0.55899441  0.58031687  0.38109410
   0.59676742  0.59723717  0.56406404
   0.81369482  0.68809644  0.76759644
   0.64182159  0.81971307  0.44728359
   0.89001816  0.93483701  0.85351079
   0.93726028  0.88772063  0.67178768
   0.67989269  0.92320965  0.74039677
   0.73603545  0.64853604  0.94711812
   0.49283068  0.70525713  0.89955961
   0.67708097  0.81180398  0.57603746
   0.56168956  0.85937017  0.40877819
   0.87663366  0.21692787  0.09844250
   1.04092122  0.40094151  0.32418085
   0.32392021  0.13580087  0.64440495
   0.25608006  0.79999549  0.76663403
  -0.00743199  1.13227540  0.11052294
   0.21273121  1.07621362  0.01939597
   0.62879962  0.35985644  0.86079248
   0.87177555  0.38384934  0.61970908
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826364    0.644478   -0.045015
    -0.000000    9.855162    0.337679
    -0.000000    0.000000   13.937307
   Si   O    H 
    32    64    10
Direct configuration=   950
   0.15499751  0.19002988 -0.03150251
   0.36487251  0.09618657  0.38149330
   0.10500403  0.41543729  0.11540408
   0.35091910  0.36924581  0.24875333
   0.09603326  0.18328185  0.48582390
   0.40301894  0.15937374  0.85047163
   0.07978013  0.42103527  0.62830179
   0.34045813  0.40600856  0.74623453
   0.09767189  0.68625742 -0.00720756
   0.39164745  0.58939587  0.37690451
   0.06729004  0.91308924  0.14447036
   0.32437742  0.84945865  0.25889667
   0.16041709  0.68331037  0.50104019
   0.35923200  0.63316107  0.87021028
   0.06833415  0.92641714  0.61345847
   0.34642641  0.98892800  0.69288471
   0.62471016  0.16674827  1.01068321
   0.85083284  0.13074677  0.36237325
   0.59562298  0.43148588  0.12160120
   0.85678000  0.29823741  0.18732062
   0.61061735  0.17774509  0.50960171
   0.87949412  0.09291891  0.88504700
   0.57220303  0.44825325  0.61405372
   0.74300563  0.34282097  0.80350917
   0.59534807  0.68794680 -0.00901484
   0.92601487  0.59588457  0.38473950
   0.57140853  0.91135663  0.13567246
   0.82267191  0.85182700  0.26642706
   0.65817258  0.65495999  0.46354264
   0.84979232  0.60179558  0.87144874
   0.60777619  0.91424339  0.63884713
   0.83940500  0.85191185  0.75851585
   0.07063961  0.07834329  0.13321004
   0.33996813  0.20012457  0.28833252
   0.09909438  0.32647396  0.02351614
   0.33553654  0.44386371  0.35180672
   0.49680970  0.40038131  0.20284955
   0.24985182  0.40616617  0.16311126
   0.24906078  0.13076559  0.46438231
   0.00973560  0.17031545  0.38435350
   0.01866021  0.07833867  0.56463345
   0.44454810  0.25678434  0.75956743
   0.11722836  0.33438956  0.52810251
   0.38325279  0.48362822  0.84209002
   0.42195026  0.46305984  0.65413224
   0.17871452  0.39401608  0.71497213
   0.27423052  0.24093668 -0.10635733
   0.03139410  0.13181257  0.90533872
   0.06220402  0.57219363  0.07729429
   0.34855258  0.68784312  0.28750642
   0.10284826  0.82700710  0.04851912
   0.36734456  0.93929859  0.35347465
   0.41899993  0.92558722  0.17189031
   0.16590622  0.87235725  0.23308525
   0.32591044  0.64806707  0.47813489
   0.06917860  0.64630539  0.40759639
   0.09669858  0.58217147  0.58792783
   0.29281197  0.70375921  0.76470229
   0.12355154  0.84160804  0.51696640
   0.37243605  1.00739066  0.80626843
   0.45054342  0.86489151  0.64670180
   0.19942439  0.92148292  0.68498414
   0.25686284  0.67250385 -0.04350135
  -0.00465007  0.66308383  0.90087719
   0.62164078  0.07086846  0.11030940
   0.77905673  0.20933036  0.27030875
   0.58728240  0.32789998  0.03248838
   0.95450636  0.42933017  0.36089502
   0.00798594  0.35200711  0.19585919
   0.75072118  0.43309520  0.16227670
   0.75328289  0.16346083  0.45459779
   0.49477399  0.13086785  0.43938771
   0.62838798  0.06683919  0.59315175
   0.80841019  0.19314519  0.79709964
   0.56608039  0.32504526  0.53493527
   0.84447292  0.44387116  0.85265031
   0.93477832  0.39255293  0.67011484
   0.68657315  0.40162397  0.69593790
   0.78034188  0.13595466  0.97339092
   0.52390169  0.12083144  0.92860364
   0.54234831  0.58482719  0.07218626
   0.86575089  0.68901339  0.29373529
   0.59417276  0.83738992  0.03773984
   0.85603565  0.96891664  0.34322256
   0.91206198  0.87778589  0.17420551
   0.65541089  0.86105307  0.23300669
   0.81801163  0.61226778  0.47079088
   0.55739769  0.58097606  0.38165584
   0.59777595  0.59628532  0.56287817
   0.81518039  0.68868643  0.76723690
   0.64064458  0.81980440  0.44604382
   0.89213579  0.93485931  0.85272834
   0.93691443  0.88591631  0.67072434
   0.67994071  0.92209116  0.74013428
   0.73667321  0.64807400  0.94797216
   0.49180609  0.70608464  0.89869576
   0.67866315  0.81768269  0.58037153
   0.57043556  0.86652647  0.41758860
   0.87794377  0.21626550  0.09992454
   1.04776865  0.40098261  0.32356795
   0.32527755  0.12497325  0.64235098
   0.25912061  0.79892590  0.76743560
  -0.00724466  1.12323205  0.10915832
   0.22042113  1.07343738  0.01417854
   0.62953544  0.35430910  0.86471338
   0.87034682  0.38962303  0.62119528
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825373    0.643165   -0.046221
    -0.000000    9.855339    0.338446
    -0.000000    0.000000   13.938244
   Si   O    H 
    32    64    10
Direct configuration=   951
   0.15440693  0.18950956 -0.03133392
   0.36507863  0.09770958  0.38140102
   0.10366884  0.41580778  0.11495416
   0.35115072  0.36837884  0.24889167
   0.09625164  0.18434664  0.48634260
   0.40133428  0.16059346  0.84980081
   0.07992278  0.41961482  0.62825458
   0.34076011  0.40404590  0.74720162
   0.09936833  0.68537986 -0.00715516
   0.39288616  0.58678366  0.37650043
   0.06582533  0.91209825  0.14547483
   0.32421450  0.85060514  0.25862261
   0.16013442  0.68344596  0.49973196
   0.35871018  0.63376965  0.86895306
   0.06572432  0.92704901  0.61365456
   0.34588409  0.98886009  0.69140280
   0.62420838  0.16631738  1.01108299
   0.85031052  0.13090044  0.36247365
   0.59660880  0.43079808  0.12167017
   0.85544268  0.29799462  0.18775672
   0.61040482  0.17812040  0.51024855
   0.88121479  0.09318224  0.88537836
   0.57216552  0.44847085  0.61492076
   0.74425229  0.34329532  0.80318849
   0.59387745  0.68671964 -0.00899577
   0.92584974  0.59475014  0.38591475
   0.57076518  0.91301225  0.13590457
   0.82181574  0.85137095  0.26765465
   0.65601248  0.65566658  0.46378827
   0.85047696  0.60227953  0.87085433
   0.60662652  0.91526648  0.63857663
   0.83854999  0.85264589  0.75842586
   0.06997098  0.07738697  0.13477334
   0.33898392  0.19980437  0.28940971
   0.10078807  0.32600627  0.02289558
   0.33705334  0.44187147  0.35223028
   0.49692285  0.40215604  0.20356065
   0.25000990  0.40757457  0.16154577
   0.25057835  0.13249133  0.46430748
   0.00981806  0.16749752  0.38448020
   0.01767036  0.07916068  0.56494945
   0.44510776  0.25643982  0.75962389
   0.11652918  0.33269970  0.52814548
   0.38112847  0.48165707  0.84250408
   0.42366755  0.46194596  0.65370519
   0.18042931  0.39340442  0.71493009
   0.27475960  0.24155884 -0.10648754
   0.03215379  0.13400414  0.90554210
   0.06072686  0.57345894  0.07798542
   0.34926505  0.68652853  0.28777416
   0.10318135  0.82755257  0.04770334
   0.36698131  0.93816420  0.35461398
   0.41768422  0.92457945  0.17111104
   0.16533815  0.87207271  0.23313157
   0.32707030  0.64891405  0.47749333
   0.07155459  0.64705777  0.40685669
   0.09587703  0.58047873  0.59001315
   0.29421774  0.70416167  0.76574397
   0.12384751  0.84167086  0.51804039
   0.37322041  1.00697870  0.80626276
   0.44912118  0.86510318  0.64661309
   0.19830982  0.92024125  0.68442366
   0.25634882  0.67344055 -0.04375903
  -0.00473093  0.66319010  0.90071770
   0.62264167  0.07051867  0.11057553
   0.77958311  0.21190517  0.26930012
   0.58789078  0.32735040  0.03232695
   0.95576444  0.43051400  0.36160882
   0.00795482  0.35239777  0.19458902
   0.74995438  0.43184205  0.16235002
   0.75286369  0.16412494  0.45521995
   0.49428847  0.13119058  0.43951231
   0.62752811  0.06664116  0.59172764
   0.80769401  0.19447424  0.79602927
   0.56617444  0.32565762  0.53453657
   0.84578543  0.44356324  0.85291959
   0.93498323  0.39133705  0.67116428
   0.68756867  0.40189058  0.69559658
   0.77961888  0.13606219  0.97354854
   0.52554360  0.12162951  0.92898320
   0.54298997  0.58273733  0.07338193
   0.86599285  0.68952105  0.29458604
   0.59514369  0.83684102  0.03831908
   0.85526328  0.96940440  0.34276545
   0.91148799  0.87710961  0.17282247
   0.65511417  0.86187051  0.23403410
   0.81804314  0.61126405  0.47023126
   0.55634460  0.58125839  0.38212822
   0.59892250  0.59476561  0.56179105
   0.81607409  0.68944785  0.76657920
   0.64143579  0.81866489  0.44520875
   0.89403968  0.93508872  0.85258373
   0.93641375  0.88429729  0.66979208
   0.68029115  0.92076039  0.74034761
   0.73783406  0.64729413  0.94893357
   0.49181339  0.70684824  0.89887404
   0.68366953  0.81980652  0.58482628
   0.56183192  0.88518936  0.41797522
   0.87483231  0.21547612  0.10320976
   1.04321247  0.40386325  0.32853196
   0.32911527  0.11599072  0.64083336
   0.26183088  0.80029549  0.76880706
  -0.01823552  1.12374496  0.10532309
   0.23312937  1.06839620  0.01042406
   0.62627326  0.34813420  0.86966118
   0.85984977  0.39352702  0.61535714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824178    0.641452   -0.047383
    -0.000000    9.855118    0.339255
    -0.000000    0.000000   13.939246
   Si   O    H 
    32    64    10
Direct configuration=   952
   0.15427725  0.18970662 -0.03111634
   0.36476842  0.09952809  0.38113966
   0.10282539  0.41645824  0.11501126
   0.35164321  0.36728291  0.24903981
   0.09625353  0.18433683  0.48715596
   0.40011114  0.16123762  0.84859333
   0.08027269  0.41821406  0.62800417
   0.34073693  0.40211021  0.74795064
   0.10055529  0.68411682 -0.00722742
   0.39466151  0.58445245  0.37643291
   0.06435847  0.91089558  0.14604672
   0.32419320  0.85171948  0.25863815
   0.15988818  0.68361126  0.49881694
   0.35805675  0.63453323  0.86750437
   0.06338160  0.92719370  0.61336655
   0.34510267  0.98857362  0.69041989
   0.62305464  0.16588919  1.01167419
   0.84984687  0.13084080  0.36260307
   0.59720743  0.43062707  0.12071260
   0.85418959  0.29808890  0.18836308
   0.61059515  0.17885247  0.51066341
   0.88206625  0.09420616  0.88561286
   0.57195652  0.44855741  0.61573804
   0.74470000  0.34412559  0.80270393
   0.59300536  0.68597017 -0.00895182
   0.92511201  0.59405403  0.38694213
   0.57055805  0.91509251  0.13605835
   0.82031921  0.85071626  0.26862030
   0.65405590  0.65622171  0.46402571
   0.85103196  0.60265168  0.86968884
   0.60640558  0.91622419  0.63858518
   0.83758230  0.85364359  0.75846403
   0.06971023  0.07679235  0.13640586
   0.33731589  0.20048514  0.28997413
   0.10283514  0.32527409  0.02234709
   0.33800115  0.43992771  0.35243023
   0.49631346  0.40322322  0.20453447
   0.24936672  0.40874070  0.16045469
   0.25220253  0.13324045  0.46444387
   0.01038921  0.16456237  0.38431996
   0.01799992  0.08033835  0.56486394
   0.44574360  0.25599955  0.75964150
   0.11586529  0.33115622  0.52764467
   0.37976755  0.47955479  0.84284349
   0.42491355  0.46073906  0.65319715
   0.18240561  0.39383467  0.71522809
   0.27350997  0.24209135 -0.10580141
   0.03277458  0.13566616  0.90572767
   0.05903667  0.57405090  0.07883336
   0.34933914  0.68540696  0.28837324
   0.10380706  0.82868051  0.04763535
   0.36663108  0.93729076  0.35492168
   0.41578836  0.92370592  0.17040275
   0.16455287  0.87145774  0.23408144
   0.32821347  0.64913294  0.47668006
   0.07365198  0.64783137  0.40648212
   0.09551079  0.57895758  0.59181398
   0.29434053  0.70372572  0.76630909
   0.12425564  0.84093750  0.51927689
   0.37435086  1.00747686  0.80628240
   0.44735820  0.86604203  0.64619616
   0.19820113  0.91956691  0.68429434
   0.25588366  0.67401108 -0.04385149
  -0.00540243  0.66390714  0.90079088
   0.62342603  0.07012482  0.11058022
   0.78045826  0.21383507  0.26903463
   0.58888640  0.32664985  0.03200776
   0.95809776  0.43196206  0.36189978
   0.00698442  0.35302320  0.19340200
   0.74940212  0.43062064  0.16206379
   0.75242070  0.16506623  0.45502074
   0.49510821  0.13142749  0.43972570
   0.62670968  0.06626085  0.59039093
   0.80821460  0.19419014  0.79494804
   0.56661003  0.32649353  0.53453475
   0.84587976  0.44416037  0.85346489
   0.93421283  0.39065506  0.67162339
   0.68826555  0.40270085  0.69528619
   0.77941272  0.13618569  0.97398763
   0.52677241  0.12196928  0.92962493
   0.54384496  0.58102748  0.07455630
   0.86598267  0.68999425  0.29547758
   0.59580584  0.83602841  0.03916584
   0.85386387  0.96994561  0.34207889
   0.91082311  0.87596424  0.17169255
   0.65561361  0.86283354  0.23527080
   0.81793471  0.61042221  0.46962715
   0.55537700  0.58142331  0.38201543
   0.60059982  0.59300407  0.56087556
   0.81723426  0.68981981  0.76624060
   0.64175785  0.81762131  0.44461656
   0.89474316  0.93467325  0.85253958
   0.93615597  0.88281279  0.66868905
   0.68130572  0.91946655  0.74053289
   0.73884970  0.64635049  0.95010243
   0.49257041  0.70815998  0.89900853
   0.69256095  0.81938490  0.58912575
   0.56161961  0.89331505  0.41993755
   0.86724744  0.21569529  0.10560825
   1.03318545  0.40454075  0.33245426
   0.33200719  0.11174293  0.63693260
   0.26233398  0.79799004  0.77010833
  -0.02377894  1.11976922  0.10420133
   0.24732437  1.06178346  0.00842859
   0.62354638  0.34282656  0.87338663
   0.86055987  0.39823028  0.61585334
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822320    0.640244   -0.048216
    -0.000000    9.855224    0.340165
    -0.000000    0.000000   13.940628
   Si   O    H 
    32    64    10
Direct configuration=   953
   0.15447750  0.18955391 -0.03087454
   0.36478696  0.10123249  0.38083694
   0.10204519  0.41736907  0.11501504
   0.35221084  0.36568549  0.24986481
   0.09628926  0.18382805  0.48767812
   0.39934902  0.16122633  0.84766680
   0.08064399  0.41706515  0.62746820
   0.34115919  0.39974821  0.74875719
   0.10143009  0.68235416 -0.00735054
   0.39604794  0.58259710  0.37668632
   0.06277620  0.91003512  0.14665829
   0.32481555  0.85226917  0.25838175
   0.15985961  0.68310587  0.49828989
   0.35744707  0.63569536  0.86611773
   0.06135805  0.92776722  0.61324100
   0.34381169  0.98831731  0.68941138
   0.62265542  0.16492865  1.01222549
   0.84923063  0.13032574  0.36313514
   0.59865038  0.43109788  0.11957372
   0.85220964  0.29868353  0.18895449
   0.61039935  0.17913020  0.51081912
   0.88319825  0.09552713  0.88569507
   0.57209624  0.44834928  0.61572905
   0.74574780  0.34566985  0.80203420
   0.59333976  0.68521173 -0.00877428
   0.92467093  0.59326921  0.38790529
   0.57075285  0.91676337  0.13621429
   0.81874296  0.85003684  0.26961444
   0.65141002  0.65733858  0.46389301
   0.85153344  0.60332385  0.86806536
   0.60671547  0.91691997  0.63828994
   0.83685990  0.85443777  0.75879171
   0.06869514  0.07610087  0.13752451
   0.33554041  0.20226788  0.29005099
   0.10432561  0.32489324  0.02196410
   0.33846219  0.43831545  0.35215976
   0.49581979  0.40409014  0.20533663
   0.25010361  0.41008294  0.15981937
   0.25422483  0.13373611  0.46410486
   0.01176890  0.16281111  0.38417787
   0.01901009  0.08118725  0.56424954
   0.44612737  0.25595409  0.75880824
   0.11577288  0.33041036  0.52724398
   0.37816412  0.47692160  0.84355801
   0.42456638  0.45900561  0.65278813
   0.18492126  0.39392406  0.71580979
   0.27230809  0.24190057 -0.10452675
   0.03260356  0.13629719  0.90575744
   0.05723757  0.57338374  0.07907485
   0.34918722  0.68436759  0.28893926
   0.10443648  0.82938206  0.04841475
   0.36635651  0.93688652  0.35444981
   0.41416072  0.92312163  0.16986141
   0.16431980  0.87122823  0.23475230
   0.32864221  0.64854668  0.47564412
   0.07627459  0.64927334  0.40642371
   0.09613368  0.57796731  0.59357980
   0.29528583  0.70264137  0.76756179
   0.12440370  0.84078506  0.52033831
   0.37480955  1.00829272  0.80620185
   0.44611367  0.86671247  0.64557409
   0.19743510  0.92050666  0.68470004
   0.25551703  0.67422575 -0.04376976
  -0.00592287  0.66457900  0.90097257
   0.62371287  0.06973683  0.11116027
   0.78073092  0.21633208  0.26853272
   0.58969366  0.32631885  0.03188861
   0.95912503  0.43337505  0.36289741
   0.00502328  0.35395814  0.19298871
   0.74876277  0.42849062  0.16204610
   0.75169563  0.16664913  0.45423347
   0.49634227  0.13099369  0.43928543
   0.62626372  0.06519136  0.58905934
   0.80901104  0.19296891  0.79359515
   0.56756314  0.32823505  0.53525596
   0.84588239  0.44422290  0.85398575
   0.93363902  0.38948833  0.67185742
   0.68844713  0.40350496  0.69498583
   0.78019198  0.13673382  0.97417118
   0.52709151  0.12228793  0.93017014
   0.54532200  0.57966279  0.07503022
   0.86586225  0.69070908  0.29638989
   0.59727264  0.83494533  0.03973940
   0.85189231  0.97038894  0.34140456
   0.91070372  0.87542479  0.17047156
   0.65529372  0.86381447  0.23593808
   0.81800165  0.60970168  0.46983962
   0.55577998  0.58146631  0.38197380
   0.60132733  0.59098257  0.56073481
   0.81829067  0.68999246  0.76506365
   0.64177519  0.81711627  0.44374110
   0.89552755  0.93457462  0.85191204
   0.93521600  0.88110332  0.66802405
   0.68310344  0.91789262  0.74114411
   0.74006514  0.64515561  0.95146853
   0.49414742  0.70826235  0.89869122
   0.69919699  0.81641289  0.59522224
   0.57158115  0.88753069  0.42519521
   0.85713392  0.21545370  0.10600407
   1.04602485  0.40053982  0.33035337
   0.33363748  0.11198693  0.63300040
   0.26019957  0.79707952  0.76917280
  -0.02310501  1.11578144  0.10666410
   0.25408520  1.06139708  0.00497644
   0.62342939  0.34030810  0.87226792
   0.86822454  0.39975830  0.62175363
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820621    0.639082   -0.048974
    -0.000000    9.855325    0.341056
    -0.000000    0.000000   13.941843
   Si   O    H 
    32    64    10
Direct configuration=   954
   0.15478924  0.18933577 -0.03113493
   0.36461277  0.10276622  0.38069005
   0.10100838  0.41884257  0.11488466
   0.35287522  0.36365830  0.25103245
   0.09671107  0.18354403  0.48800097
   0.39896351  0.16057550  0.84737101
   0.08161226  0.41642515  0.62663864
   0.34148922  0.39797889  0.74965022
   0.10215849  0.68125615 -0.00740268
   0.39750674  0.58116762  0.37758086
   0.06101605  0.90918013  0.14670297
   0.32527545  0.85231728  0.25797530
   0.16036794  0.68227179  0.49772746
   0.35690587  0.63779778  0.86481308
   0.05972677  0.92807365  0.61274885
   0.34228398  0.98780842  0.68847433
   0.62247532  0.16462703  1.01323087
   0.84883537  0.13009039  0.36331801
   0.59945890  0.43201709  0.11864191
   0.85045871  0.29955156  0.18910752
   0.60999448  0.17959044  0.51111624
   0.88329961  0.09685658  0.88549533
   0.57274583  0.44843436  0.61545760
   0.74685382  0.34745994  0.80138234
   0.59353725  0.68517125 -0.00865359
   0.92490089  0.59280487  0.38813356
   0.57094814  0.91837192  0.13631715
   0.81620859  0.84942711  0.27050943
   0.64852363  0.65858959  0.46377001
   0.85195909  0.60470697  0.86656687
   0.60682104  0.91703422  0.63801633
   0.83716277  0.85527315  0.75931186
   0.06760024  0.07573975  0.13802401
   0.33410411  0.20444087  0.28996941
   0.10472648  0.32566088  0.02179480
   0.33938506  0.43655770  0.35206099
   0.49519417  0.40462803  0.20618931
   0.25093738  0.41154780  0.15948586
   0.25597805  0.13340954  0.46380796
   0.01266397  0.16182995  0.38393893
   0.02000698  0.08137863  0.56393351
   0.44583884  0.25631779  0.75736999
   0.11563729  0.33013308  0.52703155
   0.37635139  0.47495015  0.84487700
   0.42330808  0.45733801  0.65247145
   0.18722923  0.39378168  0.71655074
   0.27103401  0.24196691 -0.10359743
   0.03196859  0.13682193  0.90582451
   0.05566005  0.57272267  0.07918172
   0.34876549  0.68385327  0.28899875
   0.10477335  0.82938380  0.04901382
   0.36604083  0.93594685  0.35393044
   0.41250110  0.92244188  0.16929960
   0.16482141  0.87031845  0.23519360
   0.32915194  0.64717357  0.47457584
   0.07835979  0.65030744  0.40625530
   0.09647705  0.57812304  0.59486074
   0.29730964  0.70140619  0.76861222
   0.12475596  0.84039742  0.52154103
   0.37537899  1.00914384  0.80627686
   0.44586528  0.86836695  0.64494616
   0.19555329  0.92197074  0.68480633
   0.25492037  0.67425337 -0.04428530
  -0.00561206  0.66571747  0.90181975
   0.62373608  0.06972611  0.11189133
   0.78109197  0.21833360  0.26835227
   0.58956103  0.32631960  0.03164323
   0.96111067  0.43436081  0.36387763
   0.00332507  0.35454201  0.19289388
   0.74728875  0.42727627  0.16173460
   0.75140664  0.16864687  0.45331078
   0.49756917  0.13094864  0.43827918
   0.62685380  0.06299758  0.58867400
   0.80939488  0.19166353  0.79269999
   0.56878771  0.33063852  0.53642130
   0.84577651  0.44377600  0.85476473
   0.93260608  0.38887650  0.67247352
   0.68836964  0.40406038  0.69459947
   0.78019036  0.13716515  0.97418285
   0.52692241  0.12283081  0.93065836
   0.54650178  0.57886311  0.07516085
   0.86573205  0.69180001  0.29719267
   0.59819150  0.83429649  0.04005355
   0.85070372  0.97059574  0.34067575
   0.91029787  0.87442322  0.16935168
   0.65563590  0.86527022  0.23655144
   0.81813655  0.60881397  0.47012494
   0.55743233  0.58040875  0.38226544
   0.60153172  0.58935801  0.56066759
   0.81931545  0.69017462  0.76466212
   0.64259978  0.81745514  0.44269243
   0.89653324  0.93452793  0.85160135
   0.93383160  0.87964145  0.66771353
   0.68453794  0.91683636  0.74149828
   0.74166264  0.64271591  0.95336362
   0.49655250  0.70769880  0.89883912
   0.70237963  0.80990122  0.59830962
   0.58199907  0.87833215  0.42864924
   0.84319102  0.21327427  0.10479843
   1.05378398  0.39619270  0.32969431
   0.33252661  0.11726790  0.62890699
   0.25577459  0.79679056  0.76526771
  -0.01447585  1.11204247  0.11364977
   0.25498042  1.06311211  0.00256439
   0.62498585  0.34183880  0.86806099
   0.86840202  0.40156529  0.62377852
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819363    0.637954   -0.049971
    -0.000000    9.855777    0.341789
    -0.000000    0.000000   13.942935
   Si   O    H 
    32    64    10
Direct configuration=   955
   0.15502629  0.18866884 -0.03142279
   0.36385454  0.10318513  0.38115441
   0.10023295  0.41997752  0.11444521
   0.35337978  0.36181143  0.25189035
   0.09697344  0.18293295  0.48833742
   0.39917670  0.16012656  0.84715060
   0.08279120  0.41524941  0.62583379
   0.34212728  0.39592033  0.75034733
   0.10298907  0.67967410 -0.00751792
   0.39823233  0.58011387  0.37866965
   0.05955439  0.90818250  0.14679753
   0.32559065  0.85196182  0.25811275
   0.16102977  0.68163300  0.49730891
   0.35653602  0.64016657  0.86397841
   0.05822053  0.92800561  0.61190838
   0.34053857  0.98773026  0.68752739
   0.62229744  0.16476928  1.01436703
   0.84877495  0.12991729  0.36319390
   0.59975126  0.43321183  0.11811456
   0.84885455  0.30014127  0.18897213
   0.60910724  0.18017752  0.51133689
   0.88297061  0.09794207  0.88538656
   0.57341879  0.44892525  0.61484595
   0.74746702  0.34908417  0.80102624
   0.59399726  0.68573187 -0.00874363
   0.92655053  0.59292017  0.38816134
   0.57151371  0.91984867  0.13603819
   0.81410355  0.84897417  0.27084761
   0.64610387  0.65924098  0.46343769
   0.85120133  0.60727058  0.86516076
   0.60710312  0.91631391  0.63773388
   0.83749886  0.85588196  0.75971681
   0.06700092  0.07398862  0.13852775
   0.33286309  0.20653622  0.28953967
   0.10435566  0.32675905  0.02153451
   0.33963259  0.43462392  0.35236112
   0.49528239  0.40523354  0.20665077
   0.25272799  0.41192930  0.15921251
   0.25687453  0.13239495  0.46370873
   0.01315833  0.16115568  0.38429769
   0.02150495  0.08101143  0.56346219
   0.44526570  0.25703086  0.75622763
   0.11467707  0.33012750  0.52699041
   0.37464589  0.47342339  0.84664267
   0.42126961  0.45528891  0.65244353
   0.18974938  0.39369623  0.71693396
   0.26988421  0.24208633 -0.10302296
   0.03187234  0.13823694  0.90632001
   0.05422522  0.57265705  0.07895491
   0.34863907  0.68434308  0.28857794
   0.10494175  0.82974944  0.04938502
   0.36494030  0.93499123  0.35355225
   0.41112495  0.92166246  0.16910851
   0.16517473  0.86950682  0.23538384
   0.32923859  0.64615878  0.47410504
   0.07902984  0.65154668  0.40564357
   0.09617280  0.57833204  0.59579937
   0.29877322  0.70115629  0.76935434
   0.12503711  0.84004117  0.52331575
   0.37518078  1.00952729  0.80593117
   0.44627986  0.87005543  0.64399194
   0.19374097  0.92342315  0.68457620
   0.25465834  0.67463454 -0.04495773
  -0.00462452  0.66749376  0.90227819
   0.62457333  0.06977389  0.11243512
   0.78054652  0.21911110  0.26912977
   0.58924802  0.32496184  0.03166120
   0.96277329  0.43550442  0.36507829
   0.00256570  0.35448692  0.19265690
   0.74591801  0.42605086  0.16143213
   0.75078937  0.17033009  0.45260696
   0.49855554  0.13053472  0.43750843
   0.62605415  0.06105843  0.58837979
   0.81047087  0.19021868  0.79219712
   0.56985094  0.33344457  0.53786446
   0.84563525  0.44351602  0.85525973
   0.93271416  0.38873147  0.67324651
   0.68910353  0.40379550  0.69436389
   0.77972887  0.13760533  0.97425130
   0.52617835  0.12394698  0.93027059
   0.54775046  0.57821320  0.07528446
   0.86583161  0.69286063  0.29796034
   0.59752906  0.83360602  0.04046670
   0.85009756  0.96976359  0.33988892
   0.90941939  0.87351853  0.16843845
   0.65686980  0.86766149  0.23650917
   0.81804034  0.60840793  0.47077828
   0.55873762  0.58013983  0.38257343
   0.60153346  0.58728487  0.56111703
   0.82077635  0.69002910  0.76445413
   0.64478090  0.81632728  0.44218236
   0.89725852  0.93457166  0.85095400
   0.93280579  0.87847748  0.66820804
   0.68558261  0.91669703  0.74231989
   0.74386106  0.64045901  0.95441691
   0.49746805  0.70772116  0.89858407
   0.70079215  0.80500461  0.60207035
   0.56572134  0.89649728  0.42371876
   0.83501391  0.21077973  0.10537928
   1.04841915  0.39700385  0.33225074
   0.33091999  0.12606612  0.62569692
   0.25242964  0.79387270  0.76227873
  -0.01870353  1.11431756  0.11643823
   0.24761677  1.07076318  0.00442405
   0.62887192  0.34139638  0.86187146
   0.85718449  0.40389856  0.62250730
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818114    0.636924   -0.051062
    -0.000000    9.856392    0.342682
    -0.000000    0.000000   13.943978
   Si   O    H 
    32    64    10
Direct configuration=   956
   0.15535827  0.18840957 -0.03180241
   0.36277931  0.10323226  0.38154174
   0.09950752  0.42108778  0.11421634
   0.35360264  0.35985287  0.25246584
   0.09686341  0.18172772  0.48830144
   0.39985561  0.15932368  0.84748418
   0.08360390  0.41444249  0.62535890
   0.34332377  0.39432546  0.75073382
   0.10398137  0.67785282 -0.00761707
   0.39905701  0.57977240  0.37917112
   0.05792581  0.90761398  0.14690723
   0.32555944  0.85136649  0.25887790
   0.16254967  0.68072156  0.49737988
   0.35588865  0.64146698  0.86311049
   0.05698729  0.92756060  0.61141940
   0.33851663  0.98732651  0.68691857
   0.62309199  0.16523534  1.01526976
   0.84754071  0.12911990  0.36306520
   0.59977627  0.43391812  0.11751524
   0.84785771  0.29961564  0.18853707
   0.60890897  0.18049702  0.51146376
   0.88211219  0.09861338  0.88475326
   0.57405507  0.44934070  0.61452246
   0.74786340  0.35029087  0.80047611
   0.59454032  0.68668722 -0.00855448
   0.92792636  0.59322272  0.38823699
   0.57220555  0.92127470  0.13571730
   0.81230435  0.84814496  0.27084115
   0.64407568  0.65887257  0.46329361
   0.85086426  0.60965039  0.86422128
   0.60738946  0.91544640  0.63734450
   0.83746866  0.85722270  0.75985978
   0.06680809  0.07180252  0.13840076
   0.33267239  0.20882657  0.28958258
   0.10385843  0.32720690  0.02154360
   0.34015667  0.43303278  0.35215246
   0.49618890  0.40497088  0.20760762
   0.25356675  0.41205130  0.15906829
   0.25718201  0.13168255  0.46391462
   0.01306042  0.16166256  0.38492029
   0.02318042  0.07995145  0.56307637
   0.44348659  0.25784982  0.75571551
   0.11292996  0.33111228  0.52727695
   0.37332259  0.47247742  0.84869391
   0.41933245  0.45458985  0.65231312
   0.19066563  0.39406957  0.71714798
   0.26950913  0.24154861 -0.10321189
   0.03125788  0.13953340  0.90751648
   0.05351219  0.57380486  0.07901266
   0.34744961  0.68505484  0.28803750
   0.10479877  0.83003182  0.05045022
   0.36327416  0.93487152  0.35299466
   0.41008747  0.92015351  0.16910257
   0.16583741  0.86821508  0.23568935
   0.32907470  0.64495455  0.47427752
   0.08092660  0.65251047  0.40487747
   0.09573067  0.57973570  0.59629189
   0.30059964  0.70321638  0.76940933
   0.12516942  0.83927414  0.52521137
   0.37426023  1.00943027  0.80499843
   0.44754350  0.87283189  0.64314816
   0.19219972  0.92477295  0.68464108
   0.25457657  0.67475604 -0.04530160
  -0.00403124  0.66947081  0.90267573
   0.62560357  0.06954979  0.11258135
   0.77983408  0.21927727  0.27049143
   0.58973097  0.32366494  0.03193468
   0.96378238  0.43665539  0.36643762
   0.00157596  0.35456071  0.19249509
   0.74508521  0.42586692  0.16135587
   0.75076416  0.17200106  0.45128697
   0.50002443  0.13081022  0.43605683
   0.62537554  0.05863108  0.58805035
   0.81184305  0.18946776  0.79165460
   0.57111887  0.33486661  0.53902153
   0.84589625  0.44345953  0.85593322
   0.93267319  0.38939143  0.67368928
   0.69080251  0.40359320  0.69424099
   0.77971032  0.13787057  0.97465933
   0.52416874  0.12478855  0.92956460
   0.54881775  0.57836210  0.07494515
   0.86658914  0.69346259  0.29900347
   0.59733682  0.83256858  0.04083626
   0.84965302  0.96960467  0.33922824
   0.90718640  0.87246284  0.16799998
   0.65770918  0.86995121  0.23609688
   0.81707752  0.60788695  0.47196316
   0.56053907  0.58091414  0.38360084
   0.60222754  0.58586595  0.56113170
   0.82113064  0.69084578  0.76475367
   0.64676631  0.81628469  0.44170636
   0.89773716  0.93461076  0.85021966
   0.93105866  0.87684061  0.66892044
   0.68642823  0.91712936  0.74303165
   0.74609708  0.63838208  0.95584377
   0.49859669  0.70712780  0.89841166
   0.69648905  0.80035059  0.60442834
   0.56045712  0.90252893  0.42085962
   0.83416501  0.20846577  0.10600046
   1.03605350  0.39914698  0.33812248
   0.32991147  0.12644125  0.62401574
   0.25066435  0.78953223  0.75794809
  -0.02589585  1.11787665  0.11761984
   0.23587012  1.07840092  0.00959045
   0.63123152  0.34518086  0.85762113
   0.84897072  0.40201942  0.62586385
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816818    0.635780   -0.052058
    -0.000000    9.857061    0.343708
    -0.000000    0.000000   13.944722
   Si   O    H 
    32    64    10
Direct configuration=   957
   0.15508388  0.18815009 -0.03234770
   0.36121728  0.10305292  0.38153639
   0.09925216  0.42198053  0.11411670
   0.35379852  0.35816701  0.25262030
   0.09699733  0.17990308  0.48773594
   0.40017957  0.15877527  0.84821328
   0.08448551  0.41384578  0.62489540
   0.34483711  0.39294940  0.75100045
   0.10460360  0.67644384 -0.00757584
   0.39966710  0.57986026  0.37936334
   0.05682861  0.90763589  0.14694151
   0.32675622  0.85037332  0.25975450
   0.16352300  0.67978722  0.49740712
   0.35539199  0.64206191  0.86255763
   0.05560055  0.92740207  0.61079501
   0.33661503  0.98734375  0.68635827
   0.62470555  0.16591728  1.01592092
   0.84616092  0.12777939  0.36267175
   0.59916892  0.43467061  0.11730918
   0.84712236  0.29888068  0.18813394
   0.60870784  0.18077270  0.51176327
   0.88080230  0.09919493  0.88405095
   0.57494539  0.44996384  0.61412435
   0.74823069  0.35144323  0.80033886
   0.59564130  0.68802290 -0.00843682
   0.92940046  0.59364262  0.38843348
   0.57288164  0.92221658  0.13522565
   0.81018575  0.84757668  0.27071544
   0.64275324  0.65824693  0.46320759
   0.85038772  0.61167828  0.86329498
   0.60803677  0.91437465  0.63724056
   0.83705349  0.85884034  0.76044719
   0.06568997  0.07038845  0.13803688
   0.33238541  0.21132305  0.28961371
   0.10285474  0.32820354  0.02174470
   0.33974073  0.43174673  0.35237453
   0.49671741  0.40432645  0.20847922
   0.25495007  0.41187069  0.15888898
   0.25689431  0.13108027  0.46448620
   0.01303244  0.16190494  0.38521027
   0.02437845  0.07920337  0.56258767
   0.44124067  0.25825247  0.75531424
   0.11120325  0.33164366  0.52759934
   0.37295079  0.47222588  0.85073775
   0.41747311  0.45363006  0.65215179
   0.19151229  0.39400747  0.71647446
   0.26957676  0.24130743 -0.10334582
   0.03067168  0.14066904  0.90884269
   0.05306285  0.57510657  0.07842018
   0.34650545  0.68580696  0.28787888
   0.10548201  0.82992321  0.05130875
   0.36096386  0.93470549  0.35296805
   0.40852127  0.91915451  0.16850916
   0.16591771  0.86663296  0.23605319
   0.32852484  0.64400511  0.47420733
   0.08207064  0.65382131  0.40388767
   0.09547375  0.58136294  0.59673848
   0.30143572  0.70538285  0.76924928
   0.12613561  0.83826218  0.52667227
   0.37350833  1.00926622  0.80426578
   0.44893102  0.87499356  0.64167383
   0.19040503  0.92535306  0.68448362
   0.25473828  0.67503425 -0.04555622
  -0.00336426  0.67156840  0.90288956
   0.62612716  0.07019312  0.11300607
   0.77876519  0.21902000  0.27197480
   0.58966821  0.32166399  0.03226442
   0.96381181  0.43821611  0.36761095
   0.00021799  0.35458959  0.19251126
   0.74448701  0.42536920  0.16153008
   0.75084614  0.17324836  0.45023321
   0.50126644  0.13101052  0.43489555
   0.62477861  0.05604193  0.58806874
   0.81285848  0.18862535  0.79108870
   0.57232089  0.33490357  0.53982463
   0.84643498  0.44350781  0.85691570
   0.93311261  0.38941863  0.67380799
   0.69202517  0.40342885  0.69350522
   0.77980202  0.13783901  0.97474197
   0.52225362  0.12557507  0.92821094
   0.55017017  0.57921436  0.07464341
   0.86709511  0.69446352  0.30007112
   0.59681465  0.83159763  0.04145290
   0.84835648  0.96901608  0.33939056
   0.90538523  0.87080070  0.16757921
   0.65810864  0.87248825  0.23536162
   0.81496473  0.60821032  0.47310864
   0.56260283  0.58274477  0.38489273
   0.60351826  0.58600495  0.56154290
   0.82134273  0.69114067  0.76521026
   0.64801665  0.81761755  0.44116908
   0.89803180  0.93586414  0.84972227
   0.92943956  0.87507893  0.66976620
   0.68686119  0.91798876  0.74402790
   0.74779978  0.63699170  0.95673276
   0.49938371  0.70591267  0.89832102
   0.69134513  0.79590196  0.60498804
   0.56737384  0.89572125  0.41869145
   0.83478253  0.20769369  0.10764790
   1.04253084  0.39078242  0.33751595
   0.33041364  0.12338131  0.62584407
   0.24580804  0.78814355  0.75451714
  -0.02678856  1.11716356  0.11827425
   0.22457203  1.07960676  0.01436000
   0.63144127  0.35126822  0.85388070
   0.84887950  0.40139322  0.63524086
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815287    0.634042   -0.053336
    -0.000000    9.857786    0.344514
    -0.000000    0.000000   13.945339
   Si   O    H 
    32    64    10
Direct configuration=   958
   0.15503919  0.18851739 -0.03290399
   0.35990658  0.10281133  0.38142305
   0.09911338  0.42237134  0.11401779
   0.35409100  0.35681777  0.25212702
   0.09721218  0.17780344  0.48704577
   0.40082956  0.15777654  0.84866023
   0.08489353  0.41411225  0.62455297
   0.34601445  0.39257460  0.75146583
   0.10476859  0.67521730 -0.00755734
   0.40011052  0.58038195  0.37894298
   0.05597476  0.90706645  0.14697002
   0.32821057  0.84915955  0.26031289
   0.16488970  0.67902429  0.49799542
   0.35550846  0.64217480  0.86257924
   0.05493751  0.92814661  0.61028598
   0.33474170  0.98731003  0.68556854
   0.62601515  0.16600854  1.01629636
   0.84530768  0.12710251  0.36239643
   0.59838630  0.43544622  0.11724371
   0.84690131  0.29884316  0.18706422
   0.60834073  0.18082309  0.51183632
   0.87946049  0.10006490  0.88324696
   0.57587535  0.45041761  0.61432526
   0.74818698  0.35206029  0.80028800
   0.59666950  0.68915224 -0.00849256
   0.93039642  0.59441109  0.38857085
   0.57373342  0.92281287  0.13472202
   0.80848507  0.84684741  0.27050471
   0.64242879  0.65740713  0.46307381
   0.84951501  0.61272409  0.86277895
   0.60954353  0.91318864  0.63738991
   0.83642635  0.86039197  0.76125698
   0.06350334  0.07078055  0.13765125
   0.33113698  0.21237270  0.28933735
   0.10167208  0.32944967  0.02176813
   0.34007706  0.43107830  0.35310462
   0.49735574  0.40305394  0.20858963
   0.25641565  0.41129646  0.15885425
   0.25603489  0.13036091  0.46564496
   0.01289682  0.16143435  0.38508795
   0.02560564  0.07802270  0.56234836
   0.43889059  0.25890387  0.75531364
   0.10958965  0.33143721  0.52808200
   0.37238945  0.47231145  0.85272466
   0.41558990  0.45321064  0.65195004
   0.19191516  0.39329033  0.71611883
   0.26984236  0.24115615 -0.10385762
   0.03028129  0.14161153  0.90979819
   0.05241929  0.57650874  0.07822195
   0.34570169  0.68653743  0.28810552
   0.10602128  0.82905049  0.05180845
   0.35837500  0.93489307  0.35319621
   0.40726815  0.91835884  0.16770195
   0.16637640  0.86543196  0.23634831
   0.32784425  0.64280781  0.47420676
   0.08346413  0.65563869  0.40286358
   0.09552561  0.58303754  0.59667661
   0.30148277  0.70739094  0.76874725
   0.12696506  0.83700267  0.52839844
   0.37279795  1.00869419  0.80308802
   0.45003600  0.87735887  0.64085755
   0.18874852  0.92595712  0.68417476
   0.25398328  0.67558373 -0.04614885
  -0.00453302  0.67300854  0.90343941
   0.62615481  0.07137855  0.11330238
   0.77761970  0.21872451  0.27337053
   0.58863432  0.32028835  0.03246048
   0.96378198  0.43982200  0.36865002
  -0.00131316  0.35473828  0.19285488
   0.74418757  0.42580830  0.16200850
   0.75115306  0.17384095  0.44917589
   0.50268849  0.13085464  0.43349060
   0.62372222  0.05543967  0.58823684
   0.81345231  0.18856590  0.79057383
   0.57386846  0.33487603  0.54030375
   0.84668216  0.44443782  0.85743858
   0.93462000  0.38947654  0.67386384
   0.69349567  0.40413198  0.69286154
   0.77993915  0.13735313  0.97493121
   0.52046995  0.12622825  0.92699440
   0.55141251  0.58109776  0.07422005
   0.86680432  0.69511193  0.30074456
   0.59612251  0.83047679  0.04193162
   0.84687047  0.96893541  0.33900784
   0.90342458  0.86897440  0.16733636
   0.65846781  0.87423141  0.23483867
   0.81309137  0.60839984  0.47394246
   0.56381747  0.58380760  0.38568650
   0.60421554  0.58674552  0.56148944
   0.82085029  0.69230056  0.76582773
   0.64855769  0.81885356  0.44003614
   0.89879576  0.93697125  0.84974164
   0.92762370  0.87368008  0.67031108
   0.68655894  0.91919306  0.74479596
   0.74808529  0.63594439  0.95761320
   0.50037853  0.70422200  0.89857841
   0.68833423  0.79307338  0.60733537
   0.58394866  0.87556214  0.41926032
   0.83803568  0.20841628  0.11082325
   1.04421198  0.38622779  0.33719421
   0.33147409  0.11511931  0.63160052
   0.24019593  0.78813937  0.74922871
  -0.02795788  1.11436490  0.11868479
   0.21762488  1.07448896  0.02254730
   0.62649378  0.35537650  0.85253894
   0.85318525  0.40268462  0.64549481
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813842    0.631921   -0.053887
    -0.000000    9.858581    0.345258
    -0.000000    0.000000   13.946091
   Si   O    H 
    32    64    10
Direct configuration=   959
   0.15513160  0.18845225 -0.03341086
   0.35903007  0.10262006  0.38187049
   0.09905861  0.42275758  0.11403123
   0.35384450  0.35636132  0.25106690
   0.09794780  0.17633438  0.48614463
   0.40161155  0.15639086  0.84926980
   0.08559403  0.41440833  0.62438974
   0.34686987  0.39254424  0.75218905
   0.10476718  0.67475933 -0.00716371
   0.39992574  0.58109122  0.37829009
   0.05535781  0.90651024  0.14718237
   0.32987182  0.84810037  0.26104790
   0.16570095  0.67801006  0.49905192
   0.35562314  0.64214113  0.86313903
   0.05500680  0.92872092  0.60977858
   0.33342651  0.98784298  0.68510646
   0.62711267  0.16571707  1.01583757
   0.84495933  0.12661868  0.36184760
   0.59780940  0.43618978  0.11690701
   0.84655805  0.29909878  0.18598499
   0.60864997  0.18054117  0.51212632
   0.87834217  0.10073604  0.88221672
   0.57663654  0.45102756  0.61470234
   0.74890728  0.35271183  0.80007642
   0.59796294  0.68994573 -0.00845033
   0.93146430  0.59581659  0.38849872
   0.57461715  0.92304765  0.13454822
   0.80767925  0.84610052  0.27002702
   0.64318844  0.65673761  0.46330893
   0.84892052  0.61370657  0.86251738
   0.61085721  0.91100939  0.63779271
   0.83559773  0.86151392  0.76244444
   0.06174542  0.07117405  0.13704201
   0.33065469  0.21172008  0.28926686
   0.10165120  0.33007342  0.02156316
   0.33948735  0.43051021  0.35384734
   0.49829571  0.40132132  0.20899258
   0.25767634  0.41095229  0.15871273
   0.25514624  0.12897464  0.46748760
   0.01265036  0.16123536  0.38473725
   0.02654487  0.07738838  0.56242231
   0.43746645  0.25788675  0.75613190
   0.10767751  0.33196985  0.52837927
   0.37188428  0.47293878  0.85455565
   0.41422639  0.45295369  0.65181005
   0.19184169  0.39330781  0.71596654
   0.27009324  0.24107730 -0.10402289
   0.03030138  0.14226280  0.91074666
   0.05180450  0.57766230  0.07791708
   0.34518301  0.68637203  0.28842995
   0.10622871  0.82837838  0.05214089
   0.35578848  0.93537364  0.35355040
   0.40604200  0.91714831  0.16673314
   0.16596328  0.86452144  0.23648074
   0.32658326  0.64198041  0.47425351
   0.08463425  0.65817619  0.40229747
   0.09638129  0.58481388  0.59663013
   0.30163724  0.70924561  0.76754859
   0.12687076  0.83544250  0.53040832
   0.37286584  1.00752320  0.80147973
   0.45089491  0.87986288  0.64002105
   0.18695716  0.92555259  0.68409541
   0.25371532  0.67564234 -0.04642996
  -0.00570381  0.67392487  0.90392832
   0.62599279  0.07145088  0.11335695
   0.77635923  0.21819323  0.27470428
   0.58739433  0.31899091  0.03325872
   0.96462845  0.44050545  0.36969675
  -0.00231591  0.35533242  0.19307510
   0.74343327  0.42674890  0.16230503
   0.75144255  0.17380846  0.44796041
   0.50375128  0.13050197  0.43217687
   0.62199181  0.05544819  0.58801639
   0.81430630  0.18822937  0.79054425
   0.57585355  0.33395691  0.54062070
   0.84699587  0.44513934  0.85741751
   0.93690505  0.38910429  0.67424587
   0.69486070  0.40496783  0.69274904
   0.78061114  0.13687443  0.97483465
   0.51935586  0.12684349  0.92626119
   0.55169857  0.58374441  0.07404984
   0.86644704  0.69433638  0.30099412
   0.59547155  0.83103731  0.04201027
   0.84530310  0.96853201  0.33895073
   0.90198455  0.86814078  0.16734072
   0.65792369  0.87508754  0.23454119
   0.81120417  0.60829249  0.47387787
   0.56499210  0.58452484  0.38556607
   0.60389980  0.58778093  0.56196172
   0.82054502  0.69312398  0.76649202
   0.65034735  0.81888592  0.43933669
   0.89983959  0.93915050  0.85022361
   0.92664730  0.87254546  0.67053690
   0.68591838  0.92097457  0.74503092
   0.74841465  0.63539520  0.95868902
   0.50085168  0.70279318  0.89886341
   0.68576437  0.79048871  0.60936044
   0.57930121  0.87803920  0.41567276
   0.84322396  0.20392339  0.11054528
   1.03527772  0.38770514  0.33738007
   0.33147037  0.11032737  0.63588685
   0.23634374  0.78802504  0.74574974
  -0.02670399  1.11175024  0.11995523
   0.21055155  1.07129745  0.02998726
   0.61676583  0.35783274  0.85489033
   0.84231892  0.40653621  0.64705515
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812357    0.629851   -0.054552
    -0.000000    9.859129    0.345638
    -0.000000    0.000000   13.946662
   Si   O    H 
    32    64    10
Direct configuration=   960
   0.15537438  0.18840948 -0.03363455
   0.35799399  0.10209809  0.38188195
   0.09878382  0.42346709  0.11419861
   0.35377381  0.35649660  0.25039116
   0.09938467  0.17506636  0.48535263
   0.40263977  0.15503663  0.84967907
   0.08587878  0.41545401  0.62435748
   0.34745227  0.39326587  0.75268841
   0.10421473  0.67509997 -0.00674882
   0.39921847  0.58107740  0.37823251
   0.05490547  0.90573000  0.14744496
   0.33069942  0.84712157  0.26176511
   0.16591041  0.67697471  0.50012099
   0.35546266  0.64229178  0.86367184
   0.05494448  0.92884729  0.60952479
   0.33269993  0.98869130  0.68494027
   0.62780131  0.16529402  1.01541726
   0.84464773  0.12627321  0.36150163
   0.59700579  0.43705403  0.11686872
   0.84638571  0.29941288  0.18511118
   0.60971548  0.18091825  0.51193884
   0.87741083  0.10077647  0.88152987
   0.57674206  0.45110644  0.61474246
   0.74968731  0.35289158  0.79970539
   0.59914698  0.69070163 -0.00838995
   0.93218331  0.59774584  0.38844067
   0.57522712  0.92279498  0.13467295
   0.80730022  0.84553528  0.26965096
   0.64395464  0.65666380  0.46331263
   0.84875462  0.61443068  0.86280889
   0.61240122  0.90890280  0.63823242
   0.83479581  0.86168741  0.76356114
   0.06023433  0.07142035  0.13612138
   0.33088139  0.20992065  0.28961492
   0.10262194  0.33005793  0.02108094
   0.33940833  0.43004171  0.35466680
   0.49974514  0.40004147  0.20872730
   0.25816218  0.41117477  0.15911403
   0.25446461  0.12755930  0.46946567
   0.01255275  0.16044192  0.38441482
   0.02732874  0.07778596  0.56284978
   0.43709325  0.25608636  0.75729223
   0.10607099  0.33145746  0.52891065
   0.37132858  0.47344575  0.85620285
   0.41296964  0.45329308  0.65161062
   0.19254817  0.39319413  0.71561128
   0.27083001  0.24163100 -0.10443883
   0.02957946  0.14204836  0.91113738
   0.05185470  0.57756661  0.07789168
   0.34472489  0.68565934  0.28839461
   0.10512109  0.82880522  0.05258943
   0.35427111  0.93695437  0.35386568
   0.40543766  0.91482083  0.16574245
   0.16604948  0.86408567  0.23645338
   0.32520132  0.64012679  0.47439009
   0.08568865  0.66034602  0.40191220
   0.09725595  0.58640908  0.59652062
   0.30122821  0.71084580  0.76613484
   0.12676492  0.83401300  0.53201169
   0.37323345  1.00663429  0.79949027
   0.45202580  0.88246677  0.63883198
   0.18547296  0.92431799  0.68468926
   0.25327683  0.67512456 -0.04650262
  -0.00683355  0.67475935  0.90380543
   0.62550956  0.07065843  0.11325989
   0.77610559  0.21764929  0.27590712
   0.58552583  0.31778362  0.03460807
   0.96513271  0.44044935  0.37078633
  -0.00272368  0.35604929  0.19304552
   0.74324936  0.42794875  0.16248023
   0.75131364  0.17333590  0.44734086
   0.50463127  0.12917304  0.43145919
   0.62037991  0.05593729  0.58793417
   0.81528624  0.18831027  0.79052374
   0.57694421  0.33355139  0.54072691
   0.84694377  0.44544584  0.85760001
   0.93958427  0.38900880  0.67425109
   0.69655535  0.40597249  0.69363350
   0.78176522  0.13635124  0.97414503
   0.51867946  0.12775867  0.92545662
   0.55221670  0.58617662  0.07393042
   0.86592240  0.69326829  0.30128287
   0.59464511  0.83171672  0.04229952
   0.84345523  0.96898630  0.33920155
   0.89960091  0.86750459  0.16734109
   0.65712015  0.87475566  0.23444461
   0.80919178  0.60878665  0.47330424
   0.56591394  0.58431723  0.38493294
   0.60388760  0.58893677  0.56266985
   0.81926204  0.69513250  0.76719526
   0.65236554  0.81883688  0.43933901
   0.90041881  0.94145512  0.85075490
   0.92611918  0.87133488  0.67051871
   0.68453817  0.92286730  0.74539185
   0.74848546  0.63514938  0.95874313
   0.50129573  0.70130135  0.89891316
   0.68525569  0.78928231  0.61087251
   0.56727830  0.88516951  0.41076315
   0.84657884  0.19700776  0.10588152
   1.02768059  0.39370349  0.33648935
   0.32834435  0.11548526  0.63704206
   0.23478347  0.78251403  0.74527818
  -0.02947543  1.11077246  0.11992599
   0.20387136  1.07383328  0.03410979
   0.61046963  0.36001543  0.85678940
   0.84088745  0.41021953  0.64921414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810742    0.628216   -0.055231
    -0.000000    9.859773    0.346379
    -0.000000    0.000000   13.947357
   Si   O    H 
    32    64    10
Direct configuration=   961
   0.15537156  0.18818579 -0.03350782
   0.35692221  0.10135710  0.38205622
   0.09882651  0.42344573  0.11390413
   0.35418230  0.35703694  0.24977254
   0.09977380  0.17404075  0.48453690
   0.40260897  0.15335759  0.84984400
   0.08620154  0.41710051  0.62408520
   0.34827407  0.39537004  0.75277915
   0.10338563  0.67646679 -0.00610712
   0.39857525  0.58139192  0.37783613
   0.05437833  0.90534120  0.14807080
   0.33143991  0.84624902  0.26195405
   0.16523191  0.67584105  0.50138093
   0.35565363  0.64232713  0.86428147
   0.05474745  0.92903394  0.60951205
   0.33195163  0.98905059  0.68501016
   0.62804626  0.16466680  1.01464883
   0.84465177  0.12562521  0.36120078
   0.59584105  0.43758830  0.11680285
   0.84576422  0.29949930  0.18454426
   0.61062172  0.18126226  0.51167785
   0.87680326  0.10125683  0.88118655
   0.57650869  0.45121505  0.61484225
   0.74985977  0.35353035  0.79964210
   0.60055727  0.69144244 -0.00818103
   0.93313721  0.59928456  0.38844351
   0.57512034  0.92259220  0.13497349
   0.80723727  0.84455561  0.26940074
   0.64518465  0.65676838  0.46325315
   0.84835349  0.61480062  0.86345224
   0.61414116  0.90730206  0.63863634
   0.83432864  0.86211977  0.76436924
   0.05964635  0.07056881  0.13594290
   0.33134017  0.20746747  0.28956757
   0.10406270  0.32955364  0.02021410
   0.33956847  0.42964099  0.35501136
   0.50044093  0.39911401  0.20805079
   0.25836827  0.41106241  0.15934131
   0.25486519  0.12619746  0.47069824
   0.01266458  0.15986003  0.38381038
   0.02824485  0.07727811  0.56361950
   0.43731382  0.25276884  0.75924619
   0.10482048  0.33087286  0.52985819
   0.37078611  0.47441487  0.85762326
   0.41200337  0.45445315  0.65151305
   0.19320961  0.39298376  0.71564314
   0.27205987  0.24274978 -0.10483068
   0.02797604  0.14140447  0.91099587
   0.05235100  0.57730931  0.07806166
   0.34466530  0.68460143  0.28845906
   0.10406360  0.82812073  0.05310769
   0.35288941  0.93877401  0.35419729
   0.40559985  0.91263075  0.16484033
   0.16550164  0.86430558  0.23666553
   0.32440707  0.63838866  0.47443111
   0.08652225  0.66239081  0.40115746
   0.09819818  0.58886494  0.59620807
   0.30127679  0.71254760  0.76439205
   0.12630141  0.83312352  0.53350394
   0.37352245  1.00564920  0.79809304
   0.45148279  0.88521708  0.63789057
   0.18358865  0.92320023  0.68554197
   0.25329427  0.67364339 -0.04618744
  -0.00785122  0.67546589  0.90390299
   0.62653559  0.06967018  0.11270526
   0.77612132  0.21752551  0.27631176
   0.58385441  0.31778248  0.03496861
   0.96474688  0.44128687  0.37212774
  -0.00292725  0.35677629  0.19266142
   0.74404060  0.42967311  0.16217749
   0.75220408  0.17293861  0.44732383
   0.50528609  0.12878464  0.43058584
   0.61841624  0.05634408  0.58770125
   0.81679807  0.18945650  0.79031153
   0.57758511  0.33273170  0.54007392
   0.84732281  0.44610220  0.85775193
   0.94140943  0.38853644  0.67406250
   0.69825395  0.40754786  0.69471694
   0.78291163  0.13585978  0.97370844
   0.51815497  0.12788430  0.92520321
   0.55227057  0.58837197  0.07407625
   0.86608301  0.69099655  0.30116499
   0.59422779  0.83214483  0.04231907
   0.84209310  0.96987669  0.33954923
   0.89788384  0.86662301  0.16775771
   0.65534038  0.87427754  0.23444288
   0.80837957  0.60970491  0.47229039
   0.56573894  0.58484764  0.38414220
   0.60355083  0.59028102  0.56307712
   0.81744156  0.69714270  0.76803518
   0.65362312  0.81893784  0.43920875
   0.90090167  0.94353797  0.85051009
   0.92614484  0.87045870  0.67023715
   0.68296730  0.92486471  0.74533393
   0.74902153  0.63494475  0.95920557
   0.50232487  0.69994850  0.89874204
   0.68798383  0.78896489  0.60921210
   0.56633034  0.88775113  0.41111132
   0.84931915  0.19278916  0.10158982
   1.03429172  0.39005312  0.32913087
   0.32341506  0.12583279  0.63362984
   0.22592473  0.77807829  0.74770713
  -0.03752791  1.11199390  0.12168313
   0.20296188  1.08014876  0.03299611
   0.61285720  0.35889527  0.85790030
   0.84904233  0.40832201  0.65150380
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809461    0.626823   -0.055400
    -0.000000    9.860523    0.347021
    -0.000000    0.000000   13.948238
   Si   O    H 
    32    64    10
Direct configuration=   962
   0.15533645  0.18810119 -0.03319932
   0.35625762  0.10054179  0.38191385
   0.09993048  0.42303178  0.11407154
   0.35440432  0.35745821  0.24890891
   0.09974762  0.17376581  0.48369595
   0.40169762  0.15218323  0.84966415
   0.08655325  0.41980527  0.62402674
   0.34881525  0.39787746  0.75262920
   0.10264667  0.67808768 -0.00528211
   0.39801639  0.58120839  0.37740305
   0.05444792  0.90465054  0.14871132
   0.33204701  0.84564755  0.26227434
   0.16468705  0.67479684  0.50283703
   0.35637946  0.64222061  0.86457143
   0.05452935  0.92947757  0.60972031
   0.33168435  0.98919422  0.68506145
   0.62770762  0.16376429  1.01381035
   0.84476118  0.12561073  0.36074468
   0.59416655  0.43802656  0.11616042
   0.84496364  0.29987237  0.18401036
   0.61156561  0.18111367  0.51094564
   0.87569025  0.10100246  0.88111110
   0.57555308  0.45235852  0.61528869
   0.74981337  0.35419184  0.79950428
   0.60219565  0.69205090 -0.00791252
   0.93377969  0.59983306  0.38850359
   0.57468238  0.92199061  0.13487824
   0.80677219  0.84370800  0.26914640
   0.64682110  0.65712552  0.46321833
   0.84804753  0.61492502  0.86452175
   0.61577132  0.90585542  0.63896965
   0.83366203  0.86260519  0.76497472
   0.05913912  0.06946217  0.13510804
   0.33151175  0.20502586  0.28909027
   0.10600692  0.32894333  0.01945998
   0.34028785  0.42979894  0.35534668
   0.50148098  0.39792797  0.20726629
   0.25833009  0.41073363  0.15880402
   0.25606033  0.12518734  0.47123916
   0.01249559  0.15942944  0.38277488
   0.02961385  0.07711493  0.56454586
   0.43789182  0.25054294  0.76132104
   0.10328971  0.33013890  0.53112299
   0.36976029  0.47503333  0.85821096
   0.41169138  0.45523080  0.65102008
   0.19420253  0.39231321  0.71539922
   0.27385674  0.24302959 -0.10558874
   0.02674407  0.14014018  0.91006504
   0.05312567  0.57613890  0.07801262
   0.34456510  0.68304415  0.28848616
   0.10261440  0.82661928  0.05344467
   0.35258706  0.94080372  0.35408946
   0.40612381  0.90972686  0.16401479
   0.16491821  0.86429759  0.23703019
   0.32339814  0.63680302  0.47457569
   0.08669724  0.66375435  0.40023578
   0.09955683  0.59083828  0.59532469
   0.30177932  0.71346801  0.76284015
   0.12616397  0.83146678  0.53425203
   0.37348759  1.00506903  0.79704990
   0.45160890  0.88800678  0.63691359
   0.18217855  0.92153346  0.68596135
   0.25407635  0.67187216 -0.04563010
  -0.00846390  0.67491318  0.90387861
   0.62636838  0.06847150  0.11172094
   0.77583818  0.21747693  0.27682296
   0.58201184  0.31753346  0.03590855
   0.96508807  0.44230630  0.37331655
  -0.00300062  0.35770315  0.19275291
   0.74532610  0.43142328  0.16169569
   0.75299513  0.17238181  0.44733672
   0.50558517  0.12761771  0.43000581
   0.61619801  0.05700731  0.58750153
   0.81845653  0.19068033  0.78988693
   0.57792956  0.33225366  0.54017408
   0.84767533  0.44683343  0.85832587
   0.94363990  0.38689553  0.67381832
   0.70010199  0.40914243  0.69536155
   0.78331704  0.13629630  0.97276193
   0.51759212  0.12846728  0.92564327
   0.55240751  0.58985189  0.07487986
   0.86550713  0.68862009  0.30047716
   0.59387726  0.83217067  0.04247924
   0.84018503  0.96913288  0.34017423
   0.89585571  0.86614995  0.16912239
   0.65301684  0.87412704  0.23387282
   0.80790748  0.61008784  0.47148065
   0.56587729  0.58435988  0.38344253
   0.60363541  0.59215342  0.56309046
   0.81593787  0.70019465  0.76857238
   0.65312907  0.81988437  0.43857927
   0.90097643  0.94471387  0.84995388
   0.92592237  0.86956017  0.66960777
   0.68150995  0.92721526  0.74549775
   0.74907884  0.63559858  0.95921972
   0.50359145  0.69882025  0.89859190
   0.69323093  0.78840675  0.60580553
   0.57629151  0.87941493  0.41588657
   0.85279588  0.19758166  0.09852794
   1.03477307  0.39444925  0.32390340
   0.31759456  0.13595711  0.63007205
   0.21469935  0.77348687  0.75252354
  -0.03967716  1.11284588  0.12394025
   0.20644703  1.08413289  0.03155784
   0.62369254  0.35836317  0.85665169
   0.85943455  0.40245194  0.65094693
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.808308    0.624772   -0.055638
    -0.000000    9.861089    0.347716
    -0.000000    0.000000   13.949188
   Si   O    H 
    32    64    10
Direct configuration=   963
   0.15479515  0.18860265 -0.03262755
   0.35525483  0.09998283  0.38141619
   0.10101414  0.42225095  0.11414143
   0.35458707  0.35882114  0.24836984
   0.09956496  0.17357985  0.48284254
   0.40029595  0.15106490  0.84919687
   0.08741472  0.42213887  0.62392823
   0.34924094  0.40062591  0.75240619
   0.10143844  0.68011667 -0.00429301
   0.39809917  0.58152137  0.37683020
   0.05476633  0.90377775  0.14895808
   0.33183550  0.84663820  0.26227005
   0.16422177  0.67423917  0.50446287
   0.35728808  0.64162562  0.86523416
   0.05481952  0.92920540  0.60990418
   0.33131205  0.98922389  0.68519211
   0.62778679  0.16310991  1.01287732
   0.84522662  0.12576790  0.36065707
   0.59307318  0.43875898  0.11623487
   0.84459358  0.29966471  0.18329470
   0.61249131  0.18038982  0.51035306
   0.87489025  0.10060083  0.88133579
   0.57440487  0.45369502  0.61581756
   0.74958413  0.35446577  0.79952545
   0.60336564  0.69276972 -0.00783365
   0.93389895  0.59983010  0.38872074
   0.57356718  0.92156337  0.13509192
   0.80595654  0.84310076  0.26937830
   0.64840339  0.65776462  0.46316945
   0.84779653  0.61465068  0.86603627
   0.61723222  0.90502941  0.63936709
   0.83360959  0.86258736  0.76585360
   0.05841980  0.06835550  0.13436283
   0.33186959  0.20225632  0.28858604
   0.10708691  0.32732848  0.01889948
   0.34124209  0.42989353  0.35635010
   0.50218006  0.39666228  0.20667834
   0.25759181  0.41100515  0.15885575
   0.25736322  0.12395603  0.47148396
   0.01276520  0.15820343  0.38196435
   0.03010240  0.07673149  0.56549727
   0.43800923  0.24898673  0.76300946
   0.10204563  0.32922096  0.53239779
   0.36902723  0.47507849  0.85851318
   0.41200542  0.45673376  0.65040500
   0.19487047  0.39173323  0.71468533
   0.27502936  0.24275317 -0.10593175
   0.02588395  0.13951183  0.91016867
   0.05407969  0.57525619  0.07816685
   0.34471410  0.68169135  0.28828984
   0.10086612  0.82475728  0.05316364
   0.35239128  0.94240126  0.35352591
   0.40673886  0.90672789  0.16353500
   0.16390626  0.86474372  0.23712347
   0.32291982  0.63534148  0.47452644
   0.08705045  0.66515127  0.39925889
   0.10100117  0.59190562  0.59412201
   0.30247083  0.71401609  0.76121019
   0.12635389  0.82986315  0.53447302
   0.37313112  1.00527764  0.79621607
   0.45149279  0.89009454  0.63646993
   0.18098374  0.92049433  0.68631970
   0.25512382  0.67030375 -0.04500653
  -0.00933965  0.67335091  0.90447820
   0.62581687  0.06839934  0.11072630
   0.77604875  0.21744008  0.27718101
   0.58083811  0.31708701  0.03694800
   0.96604534  0.44208284  0.37445436
  -0.00287711  0.35877193  0.19279234
   0.74682693  0.43314569  0.16179941
   0.75386026  0.17225744  0.44846855
   0.50464506  0.12620296  0.42972703
   0.61416988  0.05759542  0.58721519
   0.81906589  0.19227968  0.78947666
   0.57811470  0.33154936  0.54053553
   0.84825889  0.44858759  0.85911048
   0.94679102  0.38546525  0.67501881
   0.70161596  0.41114367  0.69576163
   0.78244395  0.13639863  0.97243916
   0.51745905  0.12896249  0.92633662
   0.55152133  0.59051849  0.07547840
   0.86410710  0.68723381  0.29971705
   0.59305203  0.83267335  0.04253381
   0.83822142  0.96687965  0.34062750
   0.89379442  0.86650857  0.17090864
   0.65054243  0.87373121  0.23304958
   0.80878092  0.61047449  0.47056190
   0.56476484  0.58400292  0.38238414
   0.60341845  0.59442215  0.56322922
   0.81430622  0.70284887  0.76913234
   0.65204658  0.82167196  0.43755664
   0.89944627  0.94569062  0.84963652
   0.92597052  0.86894945  0.66849007
   0.68052816  0.92888063  0.74547306
   0.74888298  0.63673067  0.95845268
   0.50466418  0.69778897  0.89885975
   0.69969801  0.78816610  0.60121613
   0.58381640  0.87331043  0.42033309
   0.85569119  0.20813297  0.09860937
   1.02516682  0.40249130  0.32259875
   0.31200590  0.13958611  0.63073098
   0.21232533  0.76933847  0.75854041
  -0.03747165  1.11253708  0.12814057
   0.21475167  1.08388660  0.03442746
   0.63754979  0.35817018  0.85726768
   0.85284150  0.39817200  0.64415846
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806890    0.622675   -0.055545
    -0.000000    9.861643    0.348774
    -0.000000    0.000000   13.950354
   Si   O    H 
    32    64    10
Direct configuration=   964
   0.15311926  0.18939163 -0.03253025
   0.35427784  0.09923626  0.38105948
   0.10171901  0.42158152  0.11364448
   0.35483575  0.36036011  0.24819273
   0.09934429  0.17392180  0.48237369
   0.39934188  0.15026431  0.84876503
   0.08861918  0.42486782  0.62432647
   0.34961897  0.40289288  0.75228068
   0.09981550  0.68226015 -0.00331666
   0.39786052  0.58185820  0.37608614
   0.05478883  0.90256839  0.14941771
   0.33130189  0.84735846  0.26207945
   0.16318193  0.67429059  0.50546156
   0.35776385  0.64089865  0.86576430
   0.05479801  0.92910409  0.61026861
   0.33081524  0.98969065  0.68541160
   0.62814372  0.16310282  1.01183510
   0.84637099  0.12538825  0.36070138
   0.59242440  0.43949411  0.11635854
   0.84426308  0.29924402  0.18252481
   0.61306752  0.17955763  0.50972090
   0.87410743  0.10048806  0.88145730
   0.57355961  0.45407285  0.61643735
   0.74950535  0.35516559  0.79941561
   0.60400168  0.69264707 -0.00779590
   0.93412313  0.60055417  0.38892320
   0.57189998  0.92071987  0.13514146
   0.80523919  0.84316014  0.26998740
   0.65055394  0.65840807  0.46312397
   0.84806232  0.61345232  0.86776617
   0.61865751  0.90445240  0.63924772
   0.83348712  0.86292032  0.76668822
   0.05733432  0.06670713  0.13327584
   0.33209691  0.20019952  0.28812430
   0.10885877  0.32646235  0.01936270
   0.34142731  0.43040303  0.35749751
   0.50243580  0.39427533  0.20604399
   0.25601682  0.41148223  0.15920851
   0.25870392  0.12268420  0.47190282
   0.01288899  0.15746582  0.38165874
   0.03112244  0.07666156  0.56623831
   0.43874956  0.24757740  0.76439497
   0.10019344  0.32814486  0.53370161
   0.36860709  0.47481979  0.85829006
   0.41229237  0.45818351  0.65020259
   0.19608902  0.39068690  0.71371813
   0.27650851  0.24187296 -0.10600169
   0.02553954  0.13871562  0.91062090
   0.05510202  0.57399412  0.07875378
   0.34449221  0.68132559  0.28788412
   0.09901753  0.82338100  0.05267224
   0.35208205  0.94392032  0.35326070
   0.40706568  0.90391140  0.16394522
   0.16270563  0.86446000  0.23740627
   0.32292033  0.63303507  0.47431037
   0.08690241  0.66716461  0.39817761
   0.10211226  0.59230727  0.59238899
   0.30297456  0.71455400  0.75968300
   0.12594032  0.82819058  0.53379504
   0.37319026  1.00565166  0.79602643
   0.45108472  0.89138200  0.63510638
   0.18044250  0.92032947  0.68660277
   0.25664714  0.66848641 -0.04484035
  -0.00971067  0.67157866  0.90503133
   0.62518959  0.06802928  0.10987139
   0.77704827  0.21766621  0.27684519
   0.58037491  0.31695579  0.03749539
   0.96731219  0.44218195  0.37538901
  -0.00339873  0.35963203  0.19254304
   0.74840479  0.43519085  0.16233633
   0.75430888  0.17237117  0.44955450
   0.50312541  0.12590230  0.42911388
   0.61143912  0.05832125  0.58673842
   0.81922712  0.19467789  0.78905701
   0.57779782  0.33081036  0.54080507
   0.84844359  0.45062392  0.86032556
   0.94966572  0.38448156  0.67607474
   0.70268770  0.41325802  0.69563259
   0.78133311  0.13703765  0.97230378
   0.51823788  0.12911057  0.92714599
   0.55045055  0.59088410  0.07589752
   0.86278661  0.68602019  0.29901982
   0.59252404  0.83374189  0.04241642
   0.83628632  0.96427202  0.34158403
   0.89236616  0.86687306  0.17277182
   0.64834287  0.87317651  0.23194620
   0.81042667  0.61147931  0.47000890
   0.56302402  0.58422918  0.38184589
   0.60201813  0.59709848  0.56352576
   0.81287358  0.70476346  0.76950753
   0.65238795  0.82197610  0.43696770
   0.89786361  0.94709013  0.84951886
   0.92591717  0.86842549  0.66767769
   0.67971348  0.93077351  0.74547195
   0.74900032  0.63846892  0.95774799
   0.50567312  0.69666810  0.89879231
   0.70305502  0.78922661  0.59887523
   0.56277130  0.88920882  0.41585557
   0.85688617  0.22182690  0.09916827
   1.01383864  0.40954178  0.32312956
   0.30745110  0.13428479  0.63167679
   0.21366890  0.76878839  0.76477790
  -0.03463125  1.11216532  0.13200648
   0.22903251  1.08058597  0.03514881
   0.64269048  0.35884635  0.86068788
   0.85148368  0.39620720  0.64014220
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805686    0.619829   -0.055879
    -0.000000    9.862602    0.349698
    -0.000000    0.000000   13.951491
   Si   O    H 
    32    64    10
Direct configuration=   965
   0.15211202  0.19055388 -0.03213102
   0.35305238  0.09909168  0.38044961
   0.10233999  0.42104333  0.11300565
   0.35540827  0.36124945  0.24826492
   0.09928354  0.17431238  0.48245498
   0.39927385  0.14917774  0.84866480
   0.08945854  0.42761518  0.62456714
   0.34945745  0.40523325  0.75206848
   0.09805479  0.68433969 -0.00265550
   0.39733918  0.58264235  0.37530172
   0.05462146  0.90189812  0.14969003
   0.33058361  0.84814794  0.26186588
   0.16205480  0.67469705  0.50620541
   0.35818716  0.64064397  0.86642922
   0.05476285  0.92836513  0.61071557
   0.32992412  0.98987739  0.68568721
   0.62797165  0.16329292  1.01116343
   0.84788669  0.12522295  0.36091881
   0.59202481  0.44030263  0.11689872
   0.84371871  0.29945157  0.18184288
   0.61323671  0.17845929  0.50908193
   0.87344942  0.10058938  0.88131713
   0.57360501  0.45417570  0.61651360
   0.75061812  0.35561375  0.79934197
   0.60457826  0.69240253 -0.00763518
   0.93424168  0.60072809  0.38907024
   0.57026673  0.91919557  0.13499262
   0.80442251  0.84325870  0.27031566
   0.65256047  0.65830659  0.46315499
   0.84843101  0.61256987  0.86975020
   0.61958749  0.90395562  0.63932108
   0.83278648  0.86364519  0.76702585
   0.05721067  0.06611645  0.13240670
   0.33203233  0.19789057  0.28745764
   0.11038850  0.32582521  0.02005544
   0.34187509  0.43095184  0.35838818
   0.50248422  0.39238169  0.20580707
   0.25469224  0.41117479  0.16021974
   0.25895602  0.12253342  0.47215598
   0.01225230  0.15724348  0.38171769
   0.03140646  0.07744616  0.56688903
   0.43962737  0.24788253  0.76592572
   0.09911736  0.32672146  0.53466647
   0.36806617  0.47524437  0.85790448
   0.41249539  0.45989955  0.65021044
   0.19686618  0.38979781  0.71305677
   0.27570598  0.24186591 -0.10601422
   0.02477305  0.13728513  0.91062168
   0.05627512  0.57272317  0.07912835
   0.34435695  0.68112466  0.28739917
   0.09697083  0.82220359  0.05226755
   0.35324765  0.94394757  0.35308899
   0.40819517  0.90198546  0.16430729
   0.16173942  0.86460751  0.23749525
   0.32351037  0.63121446  0.47398232
   0.08675616  0.66947779  0.39736553
   0.10314580  0.59206697  0.59028667
   0.30295448  0.71542181  0.75918975
   0.12539354  0.82602692  0.53295888
   0.37290383  1.00611407  0.79622466
   0.45133230  0.89289027  0.63364649
   0.17964178  0.92066432  0.68737160
   0.25844730  0.66622597 -0.04430997
  -0.01027926  0.66980191  0.90540357
   0.62420913  0.06815717  0.10912738
   0.77869034  0.21864226  0.27609110
   0.58077319  0.31728860  0.03789590
   0.96840731  0.44282857  0.37665805
  -0.00436907  0.36111850  0.19190341
   0.75009045  0.43726159  0.16294744
   0.75558718  0.17248275  0.45040887
   0.50225126  0.12606723  0.42860677
   0.60826924  0.05872243  0.58639757
   0.81880335  0.19756543  0.78821789
   0.57586684  0.33047021  0.54148275
   0.84838325  0.45242089  0.86101745
   0.95059047  0.38436689  0.67672480
   0.70261872  0.41595346  0.69485415
   0.78120685  0.13776612  0.97245905
   0.51957710  0.12855153  0.92810440
   0.54931366  0.59109441  0.07640755
   0.86104295  0.68514626  0.29843498
   0.59259376  0.83576784  0.04159518
   0.83396311  0.96213725  0.34270325
   0.89192807  0.86650525  0.17476647
   0.64725258  0.87203401  0.23090271
   0.81256200  0.61265439  0.46981333
   0.56176213  0.58471385  0.38148153
   0.60032070  0.59906873  0.56437701
   0.81098202  0.70462769  0.77014974
   0.65215715  0.82285404  0.43659853
   0.89711853  0.94781989  0.84948198
   0.92592968  0.86800103  0.66723195
   0.67933636  0.93169343  0.74514116
   0.74913595  0.63950901  0.95642416
   0.50641491  0.69604822  0.89881866
   0.70123445  0.79304681  0.59915264
   0.55592192  0.89535372  0.41526315
   0.85721857  0.22919675  0.09553455
   1.01155279  0.40826051  0.31566661
   0.30358078  0.12403971  0.63222457
   0.21946435  0.76518957  0.76842604
  -0.03302832  1.11150862  0.13500778
   0.24020796  1.08254157  0.03114101
   0.63666075  0.35886613  0.86632164
   0.86303496  0.39368160  0.63866118
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804979    0.616735   -0.055846
    -0.000000    9.863520    0.351342
    -0.000000    0.000000   13.952542
   Si   O    H 
    32    64    10
Direct configuration=   966
   0.15151909  0.19108650 -0.03164673
   0.35236276  0.09895463  0.38002241
   0.10327231  0.42066590  0.11244918
   0.35548229  0.36184512  0.24871507
   0.09924658  0.17452023  0.48309959
   0.39860101  0.14783437  0.84914506
   0.09020851  0.43010995  0.62467079
   0.34996187  0.40670022  0.75147899
   0.09673046  0.68630871 -0.00185206
   0.39765845  0.58383213  0.37434999
   0.05388495  0.90145408  0.14990029
   0.32993133  0.84849244  0.26193277
   0.16103238  0.67513581  0.50668502
   0.35842459  0.64074546  0.86703252
   0.05505152  0.92776018  0.61105893
   0.32925432  0.99024435  0.68583166
   0.62763264  0.16345805  1.01069808
   0.84935593  0.12484552  0.36108982
   0.59133239  0.44066211  0.11734888
   0.84394025  0.29938063  0.18121588
   0.61301282  0.17758964  0.50811880
   0.87302191  0.10055328  0.88127323
   0.57347291  0.45402086  0.61651599
   0.75187882  0.35630121  0.79933864
   0.60469675  0.69164873 -0.00750158
   0.93436303  0.60082848  0.38953613
   0.56893365  0.91739346  0.13490894
   0.80340772  0.84291456  0.27061955
   0.65401629  0.65827158  0.46307820
   0.84948259  0.61156401  0.87167240
   0.61983683  0.90441713  0.63921285
   0.83221646  0.86478580  0.76708310
   0.05738815  0.06613328  0.13179866
   0.33230157  0.19548590  0.28660411
   0.11131497  0.32563651  0.02084283
   0.34281031  0.43100632  0.35862604
   0.50319842  0.38991678  0.20547428
   0.25302821  0.41011542  0.16060271
   0.25938929  0.12226638  0.47191600
   0.01183581  0.15697139  0.38231172
   0.03031209  0.07880178  0.56643725
   0.44109449  0.24844498  0.76720010
   0.09747828  0.32535308  0.53478922
   0.36776933  0.47540688  0.85738125
   0.41306594  0.46168799  0.65060727
   0.19747195  0.38874152  0.71250401
   0.27444668  0.24186451 -0.10554331
   0.02401708  0.13623972  0.91078891
   0.05743374  0.57159047  0.07953632
   0.34425030  0.68225916  0.28704502
   0.09495605  0.82184780  0.05205199
   0.35391939  0.94314814  0.35265821
   0.40926646  0.90018714  0.16510339
   0.16179957  0.86428535  0.23723752
   0.32405309  0.62985091  0.47380679
   0.08725847  0.67167485  0.39736302
   0.10447325  0.59046943  0.58876597
   0.30424863  0.71500618  0.75863297
   0.12475865  0.82532257  0.53248662
   0.37323946  1.00625157  0.79649736
   0.45184046  0.89437240  0.63238008
   0.17869471  0.92232093  0.68846927
   0.25928218  0.66393367 -0.04347725
  -0.00955846  0.66821487  0.90563842
   0.62412313  0.06837039  0.10868613
   0.78115495  0.21937446  0.27487536
   0.58114631  0.31739328  0.03806746
   0.96922735  0.44270620  0.37769589
  -0.00416411  0.36157938  0.19178176
   0.75055124  0.43944798  0.16383091
   0.75746639  0.17181163  0.45178669
   0.50107822  0.12707913  0.42837197
   0.60586194  0.05909851  0.58621024
   0.81808083  0.20019681  0.78786200
   0.57474420  0.32988949  0.54145213
   0.84826104  0.45367068  0.86147411
   0.95100399  0.38376798  0.67703665
   0.70221432  0.41949004  0.69325122
   0.78075117  0.13882000  0.97281952
   0.52097681  0.12711711  0.92939964
   0.54882811  0.59116406  0.07652505
   0.85867518  0.68410639  0.29819647
   0.59295517  0.83748653  0.04083810
   0.83296755  0.96071075  0.34396032
   0.89169376  0.86739938  0.17650912
   0.64656838  0.87057775  0.22948527
   0.81532976  0.61312928  0.46976464
   0.56067624  0.58499577  0.38127226
   0.59939634  0.60099643  0.56559093
   0.80943709  0.70447212  0.77087692
   0.65219792  0.82412721  0.43616779
   0.89684004  0.94785131  0.84906091
   0.92604914  0.86802264  0.66654077
   0.68014769  0.93279357  0.74497960
   0.74934962  0.64068060  0.95624708
   0.50710449  0.69595358  0.89853135
   0.70151325  0.79676599  0.59903201
   0.55975863  0.89246789  0.41791044
   0.85850508  0.23198786  0.08941913
   1.00624752  0.40769201  0.31212189
   0.29644328  0.11090827  0.63366955
   0.22033471  0.76876431  0.77356324
  -0.03222165  1.11349795  0.13479613
   0.24914712  1.08941239  0.02645701
   0.62552166  0.35806420  0.87069404
   0.88135323  0.39253401  0.63965142
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803986    0.613655   -0.055358
    -0.000000    9.864101    0.353168
    -0.000000    0.000000   13.953548
   Si   O    H 
    32    64    10
Direct configuration=   967
   0.15107948  0.19143741 -0.03108468
   0.35218187  0.09905187  0.37990802
   0.10384830  0.42032001  0.11156814
   0.35577505  0.36249656  0.25001388
   0.09936333  0.17486562  0.48375909
   0.39819339  0.14684324  0.84956695
   0.09137558  0.43188862  0.62454473
   0.35084898  0.40820843  0.75098947
   0.09518166  0.68766856 -0.00210537
   0.39811540  0.58456716  0.37384317
   0.05310268  0.90123918  0.14983609
   0.32832826  0.84903434  0.26173235
   0.16056151  0.67569608  0.50655394
   0.35945841  0.64095859  0.86738463
   0.05581739  0.92616383  0.61135198
   0.32937242  0.99036231  0.68606631
   0.62738250  0.16392512  1.01058021
   0.85090569  0.12501120  0.36166027
   0.59109945  0.44121650  0.11748616
   0.84410876  0.29942951  0.18084351
   0.61239345  0.17650193  0.50723208
   0.87290311  0.10114597  0.88119015
   0.57364136  0.45280020  0.61669649
   0.75357714  0.35715991  0.79978448
   0.60437121  0.69139650 -0.00740782
   0.93451839  0.60126393  0.38995640
   0.56778508  0.91609518  0.13504065
   0.80221911  0.84239734  0.27107291
   0.65457479  0.65859039  0.46349196
   0.85018324  0.61125679  0.87361431
   0.61984598  0.90554964  0.63936203
   0.83172555  0.86575420  0.76683849
   0.05789987  0.06564430  0.13128912
   0.33258306  0.19404204  0.28593853
   0.11105370  0.32555858  0.02166641
   0.34410723  0.43173627  0.35802843
   0.50314716  0.38713141  0.20531389
   0.25140309  0.40893379  0.16099305
   0.25890801  0.12244127  0.47199296
   0.01027841  0.15730639  0.38242508
   0.02923926  0.08061934  0.56638294
   0.44188225  0.25053971  0.76787546
   0.09663762  0.32440122  0.53442707
   0.36719982  0.47564972  0.85639685
   0.41500596  0.46435283  0.65121331
   0.19766112  0.38871659  0.71207244
   0.27277931  0.24203437 -0.10525044
   0.02298193  0.13575005  0.91050588
   0.05833837  0.57083457  0.07909107
   0.34404562  0.68362673  0.28584378
   0.09300189  0.82183325  0.05121925
   0.35557706  0.94136042  0.35284148
   0.41089432  0.89788176  0.16606325
   0.16180395  0.86409826  0.23726355
   0.32461322  0.62918398  0.47372586
   0.08688859  0.67467953  0.39747701
   0.10529431  0.58841901  0.58812078
   0.30572385  0.71376600  0.75844613
   0.12395888  0.82562033  0.53127879
   0.37330736  1.00622067  0.79664114
   0.45183631  0.89544780  0.63138433
   0.17877970  0.92349984  0.68958028
   0.26022170  0.66214094 -0.04236308
  -0.00850347  0.66648047  0.90588416
   0.62322761  0.06852777  0.10862216
   0.78405576  0.21993574  0.27349578
   0.58105054  0.31879218  0.03816896
   0.97010999  0.44216587  0.37848647
  -0.00346269  0.36184602  0.19175358
   0.75061089  0.44194334  0.16438993
   0.75950700  0.17078354  0.45334183
   0.49975342  0.12792574  0.42746926
   0.60394874  0.05989393  0.58618592
   0.81732992  0.20298527  0.78783561
   0.57445204  0.32932514  0.54206354
   0.84801303  0.45444539  0.86171583
   0.95260963  0.38344976  0.67823578
   0.70074288  0.42263310  0.69148597
   0.78074079  0.13962266  0.97295806
   0.52286502  0.12542797  0.93064024
   0.54807930  0.59070518  0.07605079
   0.85640101  0.68259891  0.29789367
   0.59302094  0.83822408  0.04018686
   0.83215942  0.96010557  0.34559310
   0.89231749  0.86778407  0.17743730
   0.64596397  0.86802415  0.22912716
   0.81870761  0.61353841  0.46962324
   0.55968411  0.58482393  0.38049974
   0.59806633  0.60277375  0.56746033
   0.80799159  0.70399601  0.77177532
   0.65148770  0.82550689  0.43548451
   0.89667378  0.94751460  0.84912254
   0.92614528  0.86794310  0.66549131
   0.68057027  0.93351451  0.74468410
   0.74883087  0.64115205  0.95653993
   0.50703487  0.69554722  0.89849849
   0.69952432  0.79890942  0.59930492
   0.57342980  0.88274262  0.42139654
   0.85914601  0.23116537  0.08484111
   0.99911916  0.40918552  0.31393394
   0.28840598  0.10512072  0.63458342
   0.21946704  0.77619674  0.77678942
  -0.03381105  1.11602444  0.13524135
   0.25512074  1.09710806  0.02160631
   0.62181678  0.35950102  0.87109404
   0.87100626  0.39461952  0.63004020
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803432    0.610519   -0.054871
    -0.000000    9.864584    0.354793
    -0.000000    0.000000   13.954532
   Si   O    H 
    32    64    10
Direct configuration=   968
   0.15150930  0.19161136 -0.03022853
   0.35221157  0.09977769  0.37953535
   0.10386020  0.41959663  0.11098247
   0.35550199  0.36243162  0.25136062
   0.09987623  0.17512216  0.48458361
   0.39777160  0.14632573  0.85019058
   0.09220268  0.43242999  0.62418955
   0.35193803  0.40904061  0.75051873
   0.09394693  0.68837108 -0.00233785
   0.39780781  0.58505316  0.37376281
   0.05214973  0.90115674  0.14963495
   0.32672065  0.84941213  0.26095622
   0.16053684  0.67611834  0.50592819
   0.36055170  0.64128160  0.86781330
   0.05680594  0.92467766  0.61125650
   0.32951341  0.99034488  0.68604317
   0.62741808  0.16364310  1.01092533
   0.85222315  0.12544625  0.36242929
   0.59136610  0.44184008  0.11692737
   0.84409737  0.29944378  0.18065634
   0.61189627  0.17626321  0.50638883
   0.87251485  0.10207331  0.88140028
   0.57439111  0.45138707  0.61677614
   0.75509186  0.35816544  0.80030413
   0.60342349  0.69069774 -0.00728199
   0.93522508  0.60073276  0.39036040
   0.56596409  0.91496610  0.13533327
   0.80125494  0.84186418  0.27110118
   0.65481543  0.65918676  0.46400457
   0.85089620  0.61172774  0.87501181
   0.61930570  0.90681531  0.63927438
   0.83218888  0.86630612  0.76660508
   0.05885598  0.06560444  0.13101578
   0.33279139  0.19324411  0.28521176
   0.11097143  0.32596248  0.02227160
   0.34467731  0.43246204  0.35740624
   0.50304524  0.38356421  0.20483641
   0.25040095  0.40777337  0.16148447
   0.25772448  0.12225222  0.47170347
   0.00893629  0.15787256  0.38254599
   0.02714897  0.08209926  0.56591976
   0.44254406  0.25384495  0.76827048
   0.09581819  0.32365049  0.53397808
   0.36609894  0.47565456  0.85572245
   0.41703627  0.46666335  0.65152548
   0.19687796  0.38930121  0.71171938
   0.27052848  0.24164431 -0.10529487
   0.02253429  0.13431540  0.91086042
   0.05834210  0.57015509  0.07836915
   0.34369261  0.68516030  0.28447915
   0.09123592  0.82273017  0.05022386
   0.35718529  0.93930297  0.35257991
   0.41217468  0.89502356  0.16678442
   0.16165365  0.86410092  0.23725321
   0.32412992  0.62909830  0.47361318
   0.08571932  0.67762687  0.39801286
   0.10542309  0.58617695  0.58770205
   0.30694808  0.71184039  0.75811390
   0.12297581  0.82648266  0.53016764
   0.37371326  1.00515698  0.79707679
   0.45123257  0.89618653  0.63075970
   0.17828486  0.92505691  0.69065139
   0.26097570  0.66038909 -0.04120275
  -0.00672545  0.66500420  0.90630096
   0.62247658  0.06865316  0.10839625
   0.78740406  0.22035384  0.27246291
   0.58084121  0.32015655  0.03843469
   0.97094402  0.44135986  0.37878618
  -0.00259509  0.36194571  0.19157385
   0.75036947  0.44415898  0.16416032
   0.76177928  0.17071508  0.45478955
   0.49811928  0.12804473  0.42660168
   0.60265241  0.06060372  0.58664595
   0.81720966  0.20562950  0.78834149
   0.57440871  0.32868038  0.54285884
   0.84728043  0.45499290  0.86188183
   0.95341201  0.38372229  0.67891839
   0.69875092  0.42602384  0.69063304
   0.78016518  0.13976423  0.97289952
   0.52414701  0.12410127  0.93156113
   0.54769049  0.59004693  0.07619478
   0.85414630  0.68077232  0.29803095
   0.59351937  0.83746861  0.03923917
   0.83144105  0.96026966  0.34684256
   0.89318168  0.86814610  0.17863078
   0.64643729  0.86564812  0.22863231
   0.82177868  0.61368865  0.47012960
   0.55928375  0.58461444  0.38055597
   0.59714368  0.60445849  0.56947525
   0.80717425  0.70304285  0.77327783
   0.65108061  0.82548787  0.43537821
   0.89690446  0.94722353  0.84882884
   0.92589495  0.86860974  0.66510690
   0.68071215  0.93451936  0.74471404
   0.74846011  0.64189183  0.95739557
   0.50786979  0.69500104  0.89814501
   0.69854760  0.79999287  0.59915896
   0.57847870  0.87666003  0.42313045
   0.85894782  0.23400359  0.08211814
   0.99053313  0.40999333  0.31701088
   0.28116315  0.10892459  0.63191373
   0.22800587  0.77989571  0.77621233
  -0.03126033  1.11604345  0.13657684
   0.25588637  1.10524957  0.01535749
   0.62661946  0.36114961  0.86622554
   0.86684654  0.39285189  0.62549478
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803518    0.608335   -0.054527
    -0.000000    9.865260    0.356352
    -0.000000    0.000000   13.954941
   Si   O    H 
    32    64    10
Direct configuration=   969
   0.15178840  0.19164610 -0.02921925
   0.35328837  0.10056951  0.37945018
   0.10300243  0.41922051  0.11051960
   0.35487687  0.36203686  0.25239346
   0.10003447  0.17531088  0.48499609
   0.39709734  0.14578525  0.85076237
   0.09272976  0.43223189  0.62410186
   0.35277386  0.40892860  0.75039958
   0.09314158  0.68900845 -0.00272434
   0.39705910  0.58556370  0.37363589
   0.05116493  0.90134471  0.14948603
   0.32475865  0.84957518  0.26010753
   0.16095443  0.67646790  0.50513640
   0.36130657  0.64130794  0.86778867
   0.05844246  0.92340142  0.61058837
   0.32993055  0.99009950  0.68624489
   0.62717758  0.16366577  1.01147318
   0.85349503  0.12514825  0.36309784
   0.59217303  0.44261819  0.11630809
   0.84417301  0.30030661  0.18032337
   0.61144437  0.17659980  0.50555360
   0.87242115  0.10326692  0.88127991
   0.57527760  0.45004481  0.61662071
   0.75623043  0.35971665  0.80087240
   0.60234891  0.69020881 -0.00716382
   0.93618356  0.60009360  0.39063699
   0.56429500  0.91439024  0.13581242
   0.80075517  0.84108128  0.27099150
   0.65545900  0.65936832  0.46444864
   0.85176309  0.61196165  0.87586192
   0.61858791  0.90835689  0.63892410
   0.83295330  0.86674968  0.76628713
   0.05957167  0.06654119  0.13134451
   0.33272863  0.19334634  0.28321306
   0.11038803  0.32623033  0.02263845
   0.34422194  0.43262596  0.35655374
   0.50212654  0.38113447  0.20402649
   0.24962293  0.40575848  0.16197076
   0.25704122  0.12289877  0.47118892
   0.00813906  0.15682023  0.38275055
   0.02660234  0.08311156  0.56526195
   0.44341154  0.25757508  0.76791172
   0.09556950  0.32320225  0.53304691
   0.36427689  0.47679101  0.85449700
   0.41783594  0.46951966  0.65202467
   0.19679877  0.39000247  0.71190194
   0.26787635  0.24144321 -0.10531089
   0.02198222  0.13288400  0.91222801
   0.05839451  0.57007603  0.07764026
   0.34307667  0.68725119  0.28360401
   0.09002662  0.82444215  0.04968156
   0.35762834  0.93695557  0.35209963
   0.41281323  0.89313311  0.16817164
   0.16181153  0.86485476  0.23672494
   0.32354806  0.62918452  0.47367855
   0.08464474  0.67976346  0.39828150
   0.10610493  0.58385727  0.58774557
   0.30805108  0.70974043  0.75794113
   0.12227684  0.82785364  0.52856142
   0.37445259  1.00351364  0.79822884
   0.45106523  0.89750062  0.63020460
   0.17731983  0.92670673  0.69178719
   0.26106110  0.65958780 -0.03981179
  -0.00439238  0.66362526  0.90712784
   0.62198132  0.06710398  0.10843078
   0.79112131  0.22063360  0.27160287
   0.57932530  0.32125544  0.03889514
   0.97163556  0.44056508  0.37944483
  -0.00238971  0.36175050  0.19125899
   0.74974752  0.44576970  0.16407070
   0.76353361  0.17030847  0.45612816
   0.49690030  0.12729215  0.42538240
   0.60289644  0.06077300  0.58751135
   0.81710421  0.20756315  0.78862511
   0.57348710  0.32828274  0.54292624
   0.84751997  0.45380974  0.86226889
   0.95382021  0.38507559  0.67870621
   0.69745073  0.42945040  0.68991669
   0.77995515  0.13984638  0.97252288
   0.52487607  0.12270329  0.93186898
   0.54768888  0.58965365  0.07710048
   0.85155302  0.67995125  0.29795250
   0.59365256  0.83699757  0.03773315
   0.83138236  0.96151797  0.34774938
   0.89422713  0.86909901  0.17986331
   0.64694842  0.86318633  0.22815674
   0.82383680  0.61351573  0.47106612
   0.55973528  0.58473485  0.38115848
   0.59710030  0.60639108  0.57122558
   0.80609136  0.70228418  0.77472509
   0.65180733  0.82363753  0.43523224
   0.89707300  0.94770509  0.84827255
   0.92444963  0.86928858  0.66547679
   0.68146522  0.93494565  0.74508552
   0.74861159  0.64240047  0.95868688
   0.50856602  0.69381761  0.89745900
   0.69933570  0.80136721  0.59723161
   0.56203177  0.88741772  0.42210323
   0.85736511  0.23802004  0.08562066
   0.99008399  0.40688133  0.31521157
   0.27680572  0.11769627  0.62892747
   0.24239976  0.78092327  0.77121921
  -0.02717548  1.11545461  0.13549353
   0.25683976  1.10399141  0.01387611
   0.63542250  0.36395854  0.85877317
   0.87517022  0.38938252  0.62972104
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803926    0.605384   -0.054770
    -0.000000    9.866027    0.357121
    -0.000000    0.000000   13.955246
   Si   O    H 
    32    64    10
Direct configuration=   970
   0.15177431  0.19193134 -0.02853618
   0.35431936  0.10134630  0.37962178
   0.10228401  0.41861379  0.11031275
   0.35407248  0.36082171  0.25304789
   0.10017380  0.17543419  0.48558243
   0.39653667  0.14505082  0.85113258
   0.09378022  0.43150767  0.62443552
   0.35372971  0.40885313  0.75035466
   0.09293032  0.68889833 -0.00323221
   0.39625473  0.58587689  0.37349694
   0.05056325  0.90189910  0.14906961
   0.32322226  0.84951891  0.25966620
   0.16154455  0.67662087  0.50407708
   0.36209406  0.64139632  0.86792181
   0.06035296  0.92241733  0.60973787
   0.32991708  0.98982682  0.68609613
   0.62701420  0.16379254  1.01209439
   0.85478548  0.12472639  0.36405939
   0.59344467  0.44231985  0.11562724
   0.84387566  0.30140805  0.17958005
   0.61074268  0.17749339  0.50442650
   0.87338505  0.10427186  0.88111458
   0.57570015  0.44913973  0.61626714
   0.75682412  0.36179842  0.80092488
   0.60131193  0.68958341 -0.00756107
   0.93701043  0.59989234  0.39058921
   0.56268588  0.91458992  0.13626502
   0.80044851  0.84079875  0.27103554
   0.65635394  0.65926740  0.46515799
   0.85191700  0.61218174  0.87629416
   0.61755668  0.91053652  0.63873552
   0.83323522  0.86683414  0.76582660
   0.06060381  0.06709810  0.13134566
   0.33225706  0.19343176  0.28124013
   0.11000882  0.32697146  0.02280195
   0.34336251  0.43371472  0.35523291
   0.50078316  0.37958024  0.20355498
   0.24889994  0.40283201  0.16285968
   0.25669283  0.12373668  0.47107651
   0.00795520  0.15579492  0.38295072
   0.02539980  0.08329662  0.56519334
   0.44445643  0.26123126  0.76789544
   0.09565066  0.32246106  0.53251063
   0.36303752  0.47797966  0.85318507
   0.41842205  0.47175294  0.65238543
   0.19658260  0.39059170  0.71241192
   0.26604602  0.23983761 -0.10557442
   0.02148760  0.13240088  0.91294301
   0.05860800  0.56970108  0.07618507
   0.34242810  0.68886214  0.28253436
   0.08923320  0.82653455  0.04945103
   0.35829138  0.93637280  0.35194333
   0.41266082  0.89103552  0.16975821
   0.16170637  0.86519940  0.23596380
   0.32224887  0.62987134  0.47360884
   0.08388245  0.68186447  0.39883714
   0.10774013  0.58164417  0.58821478
   0.30980417  0.70718593  0.75854019
   0.12234622  0.82987982  0.52682616
   0.37466862  1.00311425  0.79939168
   0.45016689  0.89963427  0.62992533
   0.17665284  0.92802900  0.69281003
   0.26213311  0.65891313 -0.03829756
  -0.00197427  0.66273385  0.90898847
   0.62068792  0.06620620  0.10844181
   0.79478064  0.21934856  0.27101411
   0.57858116  0.32234425  0.03984710
   0.97212400  0.43984387  0.38058284
  -0.00223790  0.36179762  0.19108439
   0.74911175  0.44763021  0.16431863
   0.76485864  0.17017431  0.45731701
   0.49657956  0.12722460  0.42449925
   0.60320822  0.06071758  0.58840431
   0.81712979  0.20906608  0.78888351
   0.57275568  0.32804312  0.54357742
   0.84798817  0.45303868  0.86159984
   0.95508441  0.38580080  0.67869140
   0.69784570  0.43219189  0.68993201
   0.77979873  0.13937226  0.97257062
   0.52499646  0.12073730  0.93205456
   0.54778039  0.58977250  0.07802138
   0.84905288  0.67898076  0.29735111
   0.59343347  0.83658707  0.03661675
   0.83139681  0.96290989  0.34769652
   0.89488046  0.87010802  0.18107531
   0.64694029  0.86104936  0.22824021
   0.82547554  0.61364211  0.47199328
   0.56068535  0.58486085  0.38189771
   0.59695366  0.60791344  0.57260298
   0.80457216  0.70173232  0.77646428
   0.65172141  0.82170677  0.43482854
   0.89750167  0.94879245  0.84821792
   0.92339081  0.87069032  0.66634051
   0.68141490  0.93603830  0.74503905
   0.74806213  0.64341847  0.96065501
   0.50984372  0.69285037  0.89668727
   0.70083748  0.80144705  0.59561301
   0.55604336  0.89181098  0.42343683
   0.85775217  0.23557156  0.08821160
   0.98745237  0.40571239  0.31217689
   0.27951503  0.12176161  0.62801560
   0.25174710  0.78851885  0.76837908
  -0.02590674  1.11603074  0.13365633
   0.25918340  1.09138054  0.01624490
   0.63945122  0.36791985  0.85185283
   0.88670042  0.38736479  0.63854069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804192    0.602418   -0.055169
    -0.000000    9.866729    0.358052
    -0.000000    0.000000   13.955119
   Si   O    H 
    32    64    10
Direct configuration=   971
   0.15159082  0.19274161 -0.02791719
   0.35491682  0.10167044  0.37945745
   0.10219698  0.41819225  0.11056955
   0.35297625  0.35934671  0.25353054
   0.10058482  0.17528411  0.48620003
   0.39646585  0.14489875  0.85152004
   0.09490248  0.43047155  0.62479740
   0.35489469  0.40808022  0.74999142
   0.09300116  0.68818091 -0.00362481
   0.39558855  0.58623294  0.37349566
   0.04976043  0.90282598  0.14849831
   0.32199826  0.84933322  0.25917032
   0.16214702  0.67720358  0.50293493
   0.36225876  0.64168105  0.86796202
   0.06241418  0.92185079  0.60933904
   0.32919625  0.98994716  0.68564184
   0.62647994  0.16365868  1.01288119
   0.85564138  0.12361711  0.36527134
   0.59392630  0.44095089  0.11522365
   0.84370222  0.30243504  0.17865383
   0.61031914  0.17841239  0.50333692
   0.87399923  0.10486239  0.88130897
   0.57589890  0.44870896  0.61612052
   0.75718886  0.36352249  0.80100535
   0.60006704  0.68846373 -0.00779779
   0.93806450  0.59983277  0.39017588
   0.56143050  0.91435479  0.13649265
   0.80028111  0.84017077  0.27121698
   0.65685030  0.65947791  0.46566995
   0.85227296  0.61247519  0.87637461
   0.61630412  0.91218053  0.63837436
   0.83324717  0.86701720  0.76488223
   0.06115970  0.06803523  0.13106717
   0.33167428  0.19256907  0.27955809
   0.10970908  0.32648293  0.02209984
   0.34249495  0.43448129  0.35377461
   0.49963473  0.37787980  0.20331729
   0.24761238  0.40068100  0.16381364
   0.25641178  0.12543435  0.47018571
   0.00849822  0.15448291  0.38310097
   0.02452511  0.08341391  0.56560400
   0.44540786  0.26395546  0.76761540
   0.09577056  0.32206583  0.53252247
   0.36238957  0.47889642  0.85230354
   0.41917811  0.47402847  0.65298951
   0.19628773  0.39125980  0.71319399
   0.26416961  0.23796035 -0.10616352
   0.02275858  0.13265999  0.91400021
   0.05820978  0.56937487  0.07470967
   0.34254802  0.68951635  0.28176627
   0.08850906  0.82908857  0.04908130
   0.35866407  0.93696258  0.35141903
   0.41242200  0.88890091  0.17114960
   0.16157462  0.86482989  0.23516094
   0.32131868  0.63006994  0.47325048
   0.08273581  0.68328603  0.39918857
   0.10943296  0.57947881  0.58893490
   0.31093363  0.70463691  0.75936428
   0.12318103  0.83177549  0.52532389
   0.37392068  1.00262051  0.80079355
   0.44883648  0.90166482  0.62925226
   0.17631766  0.92921682  0.69406877
   0.26268819  0.65745562 -0.03706377
   0.00050494  0.66240178  0.91014308
   0.61963989  0.06554274  0.10870253
   0.79869098  0.21834198  0.27061926
   0.57852677  0.32291900  0.04066349
   0.97218954  0.43841071  0.38179045
  -0.00260939  0.36203847  0.19089312
   0.74848273  0.45001304  0.16414045
   0.76556715  0.16987942  0.45851945
   0.49601883  0.12741480  0.42373255
   0.60423862  0.06118431  0.58904661
   0.81664534  0.21031187  0.78948386
   0.57230262  0.32719927  0.54410312
   0.84764916  0.45284149  0.86069905
   0.95817238  0.38670502  0.67942799
   0.69746360  0.43521655  0.69014157
   0.77931331  0.13804010  0.97212715
   0.52539923  0.11894178  0.93165643
   0.54809260  0.59127692  0.07880230
   0.84642241  0.67915476  0.29760282
   0.59267202  0.83652005  0.03539190
   0.83170068  0.96415098  0.34775882
   0.89627744  0.87091599  0.18197780
   0.64701381  0.85893306  0.22849131
   0.82610917  0.61301743  0.47292358
   0.56249329  0.58494439  0.38243257
   0.59765532  0.60927716  0.57390179
   0.80359065  0.70127374  0.77844242
   0.65070418  0.81978677  0.43406325
   0.89800556  0.94887415  0.84838282
   0.92280952  0.87144105  0.66686618
   0.68175784  0.93652306  0.74454642
   0.74725580  0.64419417  0.96218926
   0.51069552  0.69191227  0.89631510
   0.69807593  0.80666061  0.59668622
   0.56384602  0.88487815  0.42662398
   0.85785264  0.23519737  0.09101757
   0.98366682  0.40718791  0.31227053
   0.28709609  0.12509087  0.63087349
   0.25479984  0.79989005  0.76453469
  -0.02594048  1.11634552  0.13076916
   0.25883588  1.07807083  0.02047691
   0.63671090  0.37115328  0.84992766
   0.87687085  0.38774728  0.63516651
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804278    0.599662   -0.055317
    -0.000000    9.867437    0.359266
    -0.000000    0.000000   13.954989
   Si   O    H 
    32    64    10
Direct configuration=   972
   0.15184466  0.19313818 -0.02719600
   0.35493255  0.10193051  0.37900837
   0.10167106  0.41818806  0.11091627
   0.35179657  0.35784475  0.25367491
   0.10059756  0.17504814  0.48663232
   0.39656219  0.14541583  0.85147552
   0.09576090  0.42879909  0.62498714
   0.35576575  0.40717874  0.74973215
   0.09307170  0.68785385 -0.00357046
   0.39536073  0.58672342  0.37361869
   0.04963639  0.90389657  0.14793847
   0.32093083  0.84979692  0.25870527
   0.16300331  0.67775427  0.50218552
   0.36280352  0.64203996  0.86787077
   0.06387809  0.92267312  0.60920697
   0.32859883  0.99102967  0.68558715
   0.62503675  0.16268569  1.01353800
   0.85559559  0.12226655  0.36614958
   0.59430817  0.44014982  0.11507343
   0.84381860  0.30402260  0.17785738
   0.60980432  0.17907094  0.50231969
   0.87437625  0.10537552  0.88092948
   0.57627630  0.44921549  0.61626618
   0.75748516  0.36506211  0.80065524
   0.59962463  0.68734256 -0.00798327
   0.93891389  0.59994737  0.38926585
   0.56068801  0.91433584  0.13611631
   0.80068682  0.83955008  0.27169969
   0.65739561  0.65964051  0.46619433
   0.85306369  0.61340794  0.87646803
   0.61444298  0.91364891  0.63805567
   0.83374035  0.86695225  0.76376948
   0.06232192  0.06885389  0.13084929
   0.33110505  0.19184268  0.27812991
   0.10890762  0.32623894  0.02089787
   0.34204258  0.43533653  0.35285318
   0.49839230  0.37717779  0.20310971
   0.24714657  0.39861058  0.16506922
   0.25680182  0.12775379  0.46955337
   0.01033259  0.15287527  0.38324853
   0.02466874  0.08338269  0.56655295
   0.44562776  0.26591825  0.76780441
   0.09604048  0.32179559  0.53254557
   0.36210091  0.47935543  0.85112867
   0.41966276  0.47594793  0.65365646
   0.19623557  0.39190755  0.71386335
   0.26222292  0.23589969 -0.10710937
   0.02468147  0.13299468  0.91488732
   0.05859579  0.56956952  0.07363630
   0.34237452  0.69007098  0.28113480
   0.08847608  0.83101045  0.04879009
   0.35910791  0.93762545  0.35067708
   0.41154515  0.88791846  0.17230560
   0.16151525  0.86413725  0.23510779
   0.32038402  0.63054088  0.47344611
   0.08148551  0.68508259  0.40002348
   0.11145901  0.57820877  0.58961683
   0.31208324  0.70311507  0.76049584
   0.12350057  0.83441913  0.52402020
   0.37343846  1.00298828  0.80182284
   0.44784355  0.90344343  0.62924205
   0.17642857  0.93131018  0.69505187
   0.26258545  0.65662964 -0.03624441
   0.00248784  0.66253121  0.91103814
   0.61885455  0.06478250  0.10894847
   0.80280348  0.21818098  0.27075661
   0.57893495  0.32372461  0.04123509
   0.97267654  0.43701764  0.38223683
  -0.00242024  0.36144593  0.19073076
   0.74773939  0.45076888  0.16408851
   0.76515151  0.16984640  0.45935884
   0.49648637  0.12806486  0.42356698
   0.60503726  0.06297630  0.58945926
   0.81666168  0.21143588  0.79048851
   0.57156427  0.32607200  0.54409900
   0.84780635  0.45294235  0.85973128
   0.96009353  0.38752483  0.68012041
   0.69726419  0.43799420  0.69077852
   0.77800708  0.13633032  0.97184471
   0.52485184  0.11720726  0.93064913
   0.54815060  0.59253261  0.07911328
   0.84400905  0.67984069  0.29700368
   0.59256862  0.83741311  0.03425600
   0.83167345  0.96520697  0.34761966
   0.89680927  0.87159906  0.18214978
   0.64709397  0.85657977  0.22866618
   0.82549397  0.61243741  0.47410140
   0.56448307  0.58562225  0.38295590
   0.59817532  0.60982359  0.57479277
   0.80362755  0.70155511  0.78017264
   0.64894125  0.81899281  0.43332249
   0.89905975  0.94893699  0.84920208
   0.92316168  0.87234095  0.66731570
   0.68111557  0.93694417  0.74397563
   0.74718495  0.64512983  0.96370558
   0.51049257  0.69216147  0.89589072
   0.69413629  0.81149209  0.59830982
   0.57560860  0.87416899  0.43032879
   0.85448722  0.23303484  0.09007964
   0.98541041  0.41020126  0.31685899
   0.29687526  0.12696998  0.63379926
   0.25923387  0.79742627  0.75972856
  -0.02835330  1.11964614  0.12637229
   0.25580968  1.06624276  0.02309626
   0.62917224  0.37028259  0.85005104
   0.87272977  0.39024827  0.63476895
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804151    0.597378   -0.054820
    -0.000000    9.868626    0.360471
    -0.000000    0.000000   13.954862
   Si   O    H 
    32    64    10
Direct configuration=   973
   0.15209826  0.19285117 -0.02596555
   0.35508685  0.10193357  0.37829080
   0.10106705  0.41761172  0.11167325
   0.35135216  0.35636409  0.25380080
   0.10025338  0.17430250  0.48733947
   0.39615934  0.14618456  0.85142022
   0.09636741  0.42661907  0.62513646
   0.35638663  0.40689130  0.74913731
   0.09375103  0.68711745 -0.00293578
   0.39495386  0.58747533  0.37359740
   0.04964437  0.90508267  0.14726978
   0.31958625  0.85052535  0.25845390
   0.16320245  0.67821361  0.50135753
   0.36224087  0.64264619  0.86827607
   0.06510528  0.92351171  0.60896837
   0.32838144  0.99190963  0.68584652
   0.62443630  0.16133563  1.01376219
   0.85555409  0.12051620  0.36663163
   0.59488216  0.43939186  0.11540165
   0.84435403  0.30619566  0.17718054
   0.60986157  0.17963153  0.50164370
   0.87520877  0.10631332  0.88114971
   0.57608716  0.45013942  0.61669650
   0.75682287  0.36617506  0.80050389
   0.59864918  0.68697248 -0.00846963
   0.93978539  0.59989723  0.38809546
   0.56037375  0.91399466  0.13550733
   0.80125724  0.83878267  0.27212212
   0.65791779  0.65920904  0.46680161
   0.85363245  0.61415006  0.87676039
   0.61251368  0.91457307  0.63754067
   0.83407298  0.86690327  0.76253104
   0.06262138  0.06956683  0.13086815
   0.33058134  0.19130873  0.27729279
   0.10868941  0.32621353  0.01962525
   0.34198756  0.43566689  0.35204337
   0.49763785  0.37606116  0.20335686
   0.24744771  0.39672442  0.16642937
   0.25615764  0.13014201  0.46888496
   0.01299327  0.15153185  0.38323829
   0.02586881  0.08269016  0.56744351
   0.44626169  0.26674307  0.76837320
   0.09681391  0.32172736  0.53284829
   0.36180670  0.47901209  0.85030501
   0.41972124  0.47755116  0.65459071
   0.19653606  0.39258095  0.71466898
   0.26047590  0.23380996 -0.10795693
   0.02681478  0.13509025  0.91524876
   0.05832067  0.56984629  0.07307752
   0.34197663  0.69049474  0.28060503
   0.08878978  0.83231327  0.04858318
   0.35992371  0.93834405  0.35035863
   0.41037683  0.88716184  0.17259515
   0.16074425  0.86364239  0.23458265
   0.31944086  0.63091398  0.47345618
   0.08015847  0.68624247  0.40058759
   0.11284180  0.57746745  0.58970475
   0.31297365  0.70289022  0.76183738
   0.12370728  0.83663639  0.52271283
   0.37262961  1.00348534  0.80167176
   0.44643511  0.90442223  0.62997684
   0.17630800  0.93325405  0.69619313
   0.26193196  0.65563898 -0.03566387
   0.00436839  0.66276289  0.91109623
   0.61781757  0.06400505  0.10920572
   0.80599336  0.21805821  0.27066941
   0.57989017  0.32354495  0.04194011
   0.97305079  0.43655228  0.38209194
  -0.00212178  0.36076612  0.19038758
   0.74768899  0.45045369  0.16431040
   0.76460591  0.17063104  0.45971445
   0.49767310  0.12863185  0.42390232
   0.60602348  0.06518634  0.58927220
   0.81698162  0.21134674  0.79141901
   0.57069323  0.32433899  0.54421979
   0.84870361  0.45377915  0.85940504
   0.96091874  0.38847445  0.68037014
   0.69769908  0.44019868  0.69160667
   0.77573670  0.13524687  0.97187572
   0.52442499  0.11627710  0.92950133
   0.54774130  0.59387407  0.07965711
   0.84264564  0.68079771  0.29595979
   0.59233688  0.83830451  0.03353334
   0.83148847  0.96658037  0.34729211
   0.89820551  0.87250394  0.18197989
   0.64796070  0.85335623  0.22903409
   0.82484472  0.61231983  0.47585364
   0.56694323  0.58545349  0.38393250
   0.59925001  0.60995877  0.57545969
   0.80419128  0.70190851  0.78208898
   0.64866662  0.81739421  0.43282708
   0.89936863  0.94781818  0.85041010
   0.92406369  0.87301774  0.66763708
   0.68072262  0.93754399  0.74306798
   0.74756852  0.64552539  0.96468643
   0.51053413  0.69210881  0.89524593
   0.69558919  0.80897130  0.59756863
   0.56687814  0.87796138  0.43363636
   0.85271148  0.23155787  0.08850874
   0.98866086  0.41194847  0.31830192
   0.30644817  0.12612200  0.63852009
   0.26559593  0.78917054  0.75487179
  -0.02817200  1.11774151  0.12516677
   0.24611165  1.06097763  0.02196866
   0.62595222  0.36651553  0.84971327
   0.87857147  0.39277965  0.64016239
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804075    0.595481   -0.054788
    -0.000000    9.870145    0.361673
    -0.000000    0.000000   13.954771
   Si   O    H 
    32    64    10
Direct configuration=   974
   0.15299414  0.19158119 -0.02491696
   0.35558071  0.10237430  0.37753719
   0.10060433  0.41686428  0.11214621
   0.35079802  0.35464008  0.25319973
   0.09946677  0.17329941  0.48751562
   0.39593939  0.14683219  0.85090645
   0.09713602  0.42400227  0.62455263
   0.35663810  0.40628720  0.74872126
   0.09489176  0.68668500 -0.00200110
   0.39483765  0.58792084  0.37331379
   0.04920151  0.90625331  0.14648392
   0.31867526  0.85099666  0.25863085
   0.16274526  0.67903322  0.50103132
   0.36185243  0.64305939  0.86886833
   0.06623388  0.92459257  0.60907100
   0.32822590  0.99307973  0.68606637
   0.62423536  0.16030934  1.01404520
   0.85578701  0.11915583  0.36700719
   0.59527570  0.43900921  0.11610718
   0.84541831  0.30890642  0.17615697
   0.61043996  0.18037554  0.50098538
   0.87597728  0.10744648  0.88120113
   0.57590294  0.45132785  0.61696216
   0.75575007  0.36736788  0.80038781
   0.59692600  0.68664500 -0.00863119
   0.94034774  0.60052396  0.38706661
   0.56104076  0.91370342  0.13417906
   0.80267478  0.83919808  0.27238754
   0.65824990  0.65892136  0.46792573
   0.85408350  0.61488334  0.87732374
   0.60997549  0.91535178  0.63703622
   0.83387888  0.86631005  0.76105932
   0.06373946  0.07056459  0.13031783
   0.32956837  0.19097886  0.27673508
   0.10803767  0.32771716  0.01866542
   0.34136642  0.43646621  0.35166573
   0.49665930  0.37569554  0.20276589
   0.24775220  0.39583881  0.16802479
   0.25512326  0.13239777  0.46835117
   0.01594833  0.15023643  0.38296425
   0.02806485  0.08178499  0.56837081
   0.44742926  0.26719609  0.76875208
   0.09743569  0.32171515  0.53336227
   0.36178768  0.47799372  0.84944512
   0.41986990  0.47900105  0.65532776
   0.19677647  0.39288087  0.71567199
   0.25931769  0.23165068 -0.10889433
   0.02912754  0.13733362  0.91572788
   0.05674377  0.56989138  0.07271880
   0.34172658  0.69017321  0.28076520
   0.08938085  0.83322915  0.04848451
   0.36096286  0.93824636  0.35082094
   0.40958755  0.88720292  0.17211332
   0.16042678  0.86339629  0.23377586
   0.31909181  0.63107099  0.47331423
   0.07866528  0.68723960  0.40158271
   0.11519793  0.57720553  0.59015369
   0.31405571  0.70217323  0.76361021
   0.12346001  0.83877539  0.52169379
   0.37136679  1.00370263  0.80133457
   0.44563507  0.90557467  0.63040516
   0.17682979  0.93450530  0.69723625
   0.26091346  0.65466564 -0.03496136
   0.00533502  0.66258504  0.91051581
   0.61725780  0.06355835  0.10952321
   0.80781491  0.21695825  0.27071366
   0.58106547  0.32294449  0.04213272
   0.97270868  0.43641851  0.38237076
  -0.00115507  0.35945066  0.19041209
   0.74730520  0.44968724  0.16501821
   0.76388113  0.17078236  0.45957927
   0.49878267  0.13020692  0.42409151
   0.60685523  0.06748120  0.58936167
   0.81733047  0.21107259  0.79211047
   0.57006422  0.32291503  0.54493288
   0.85059303  0.45531155  0.85946598
   0.96108853  0.39000605  0.68017796
   0.69772862  0.44108621  0.69251680
   0.77471985  0.13457849  0.97182732
   0.52359235  0.11552734  0.92856474
   0.54706904  0.59418297  0.08022334
   0.84115377  0.68169082  0.29412461
   0.59190694  0.83887068  0.03261748
   0.83035156  0.96750799  0.34686142
   0.89997318  0.87297209  0.18144938
   0.64999658  0.85114414  0.22939477
   0.82321428  0.61322715  0.47682450
   0.56865830  0.58453958  0.38481234
   0.59893490  0.60950814  0.57617607
   0.80526383  0.70266898  0.78390961
   0.64877268  0.81602774  0.43236963
   0.89915733  0.94763057  0.85152344
   0.92573572  0.87366401  0.66714107
   0.68128804  0.93694781  0.74259635
   0.74832872  0.64523030  0.96590272
   0.50973203  0.69239400  0.89448373
   0.69708594  0.80689039  0.59522826
   0.55752169  0.88178272  0.43817200
   0.84705019  0.23219255  0.08773729
   0.99240248  0.41159147  0.31138499
   0.31351486  0.12547980  0.64173799
   0.26664425  0.78780473  0.75320169
  -0.02560865  1.11161048  0.12262118
   0.23669757  1.06278736  0.02178426
   0.62380113  0.36457454  0.85197210
   0.88468665  0.39516777  0.64613099
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803853    0.593933   -0.055304
    -0.000000    9.871671    0.362579
    -0.000000    0.000000   13.953945
   Si   O    H 
    32    64    10
Direct configuration=   975
   0.15410026  0.18927276 -0.02427191
   0.35641955  0.10245428  0.37726963
   0.10040643  0.41633181  0.11279710
   0.35035747  0.35244530  0.25307105
   0.09869256  0.17240279  0.48754511
   0.39589001  0.14732974  0.84990863
   0.09773500  0.42127557  0.62395491
   0.35699094  0.40590825  0.74820778
   0.09700297  0.68642324 -0.00088907
   0.39513832  0.58851961  0.37306231
   0.04855999  0.90711662  0.14561569
   0.31675364  0.85134676  0.25903352
   0.16305757  0.67940749  0.50090226
   0.36156436  0.64316847  0.86955791
   0.06645820  0.92605669  0.60943148
   0.32809237  0.99426721  0.68639110
   0.62424813  0.15838897  1.01405832
   0.85592008  0.11845677  0.36717669
   0.59529685  0.43902032  0.11700196
   0.84653964  0.31200049  0.17495302
   0.61039686  0.18087888  0.50047712
   0.87615578  0.10940758  0.88143273
   0.57597294  0.45253564  0.61696478
   0.75415750  0.36886064  0.80026949
   0.59582088  0.68681465 -0.00876979
   0.94033562  0.60033677  0.38602049
   0.56191955  0.91327677  0.13319231
   0.80369770  0.84016356  0.27253636
   0.65866471  0.65815467  0.46937304
   0.85475297  0.61575598  0.87810140
   0.60844380  0.91620435  0.63634767
   0.83319140  0.86594558  0.75970827
   0.06528405  0.07189714  0.12967359
   0.32940992  0.19143479  0.27645228
   0.10702690  0.32977998  0.01805796
   0.34025856  0.43727817  0.35100605
   0.49620217  0.37650463  0.20191145
   0.24700192  0.39552901  0.16956096
   0.25452093  0.13448489  0.46807585
   0.01962953  0.14921970  0.38314490
   0.02894692  0.08058916  0.56905949
   0.44915570  0.26699369  0.76924858
   0.09758228  0.32164799  0.53339762
   0.36147878  0.47641744  0.84839064
   0.42022833  0.48121564  0.65538125
   0.19767630  0.39334870  0.71644039
   0.25891168  0.23032671 -0.10969005
   0.03090048  0.13870255  0.91597680
   0.05557383  0.56934056  0.07303199
   0.34207425  0.68931000  0.28150186
   0.08975041  0.83451260  0.04805177
   0.36098242  0.93860408  0.35120108
   0.40964086  0.88819851  0.17152902
   0.15955839  0.86346523  0.23273572
   0.31919656  0.63124071  0.47267982
   0.07719435  0.68843966  0.40183409
   0.11769658  0.57742374  0.59028412
   0.31495618  0.70221345  0.76583163
   0.12407009  0.84074757  0.52104411
   0.37013948  1.00397795  0.80076732
   0.44419831  0.90579860  0.63075946
   0.17675375  0.93541840  0.69766550
   0.25995332  0.65488165 -0.03454970
   0.00511520  0.66293584  0.91035209
   0.61618570  0.06318737  0.10956701
   0.80925154  0.21591444  0.27111944
   0.58317961  0.32138177  0.04230432
   0.97297552  0.43739801  0.38193158
  -0.00081809  0.35843114  0.19021880
   0.74733535  0.44832583  0.16566331
   0.76331631  0.17047570  0.45900795
   0.50073662  0.13237638  0.42461140
   0.60797023  0.07030762  0.58939390
   0.81695435  0.21042395  0.79355044
   0.57044248  0.32215930  0.54570990
   0.85334200  0.45752431  0.85910794
   0.96208667  0.39139146  0.68064598
   0.69805189  0.44111659  0.69406303
   0.77417687  0.13298546  0.97189557
   0.52347775  0.11461401  0.92789626
   0.54698933  0.59403598  0.08077683
   0.83983851  0.68233956  0.29233233
   0.59154078  0.83957173  0.03247602
   0.82872312  0.96820263  0.34688311
   0.90124616  0.87359949  0.18138126
   0.65076655  0.84899890  0.22915907
   0.82142933  0.61378474  0.47766400
   0.56964326  0.58440686  0.38592110
   0.59862682  0.60873316  0.57568699
   0.80699298  0.70387991  0.78578625
   0.64759960  0.81562346  0.43183375
   0.89841662  0.94701081  0.85136746
   0.92767220  0.87452919  0.66626673
   0.68107318  0.93662400  0.74233755
   0.74967948  0.64521675  0.96673487
   0.50952744  0.69162442  0.89309321
   0.69446182  0.80937569  0.59392388
   0.56043978  0.87854956  0.44374672
   0.84113104  0.23268096  0.09058364
   0.99717464  0.41146813  0.31254260
   0.31792737  0.12926134  0.64181285
   0.26065630  0.79274339  0.75192412
  -0.03037046  1.10802049  0.11806988
   0.22454579  1.06819947  0.02014493
   0.62476827  0.36364588  0.85524283
   0.87091318  0.40107249  0.64509666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803511    0.592563   -0.055846
    -0.000000    9.873058    0.363974
    -0.000000    0.000000   13.953406
   Si   O    H 
    32    64    10
Direct configuration=   976
   0.15515537  0.18651653 -0.02424198
   0.35752289  0.10267328  0.37723024
   0.10051366  0.41520657  0.11326527
   0.35042848  0.35049281  0.25327468
   0.09805838  0.17191331  0.48736774
   0.39600746  0.14823596  0.84930083
   0.09837869  0.41951060  0.62354704
   0.35690803  0.40575388  0.74785043
   0.09934815  0.68621748  0.00006195
   0.39545267  0.58889630  0.37260374
   0.04882456  0.90741954  0.14483398
   0.31512618  0.85195142  0.25978219
   0.16324251  0.67955323  0.50023965
   0.36055667  0.64327655  0.87013099
   0.06660577  0.92767262  0.60986541
   0.32775363  0.99590970  0.68683991
   0.62414057  0.15690308  1.01424790
   0.85636311  0.11790929  0.36712927
   0.59528137  0.43878238  0.11800929
   0.84742112  0.31488489  0.17423709
   0.60965876  0.18150309  0.49978044
   0.87637615  0.11018766  0.88146084
   0.57586224  0.45386975  0.61737856
   0.75228433  0.37046860  0.79992650
   0.59503986  0.68704022 -0.00916769
   0.94007026  0.60046457  0.38498028
   0.56230595  0.91303040  0.13243464
   0.80482582  0.84145746  0.27176433
   0.65903566  0.65690054  0.47049744
   0.85549324  0.61671792  0.87899550
   0.60669166  0.91744989  0.63580140
   0.83242496  0.86572003  0.75866430
   0.06673783  0.07379124  0.12906085
   0.32901202  0.19124884  0.27630482
   0.10597643  0.33150249  0.01737702
   0.33950105  0.43806801  0.35032483
   0.49615844  0.37813690  0.20088577
   0.24574840  0.39480149  0.17078958
   0.25461884  0.13668938  0.46767383
   0.02194549  0.14858902  0.38305897
   0.02954247  0.07959054  0.56989830
   0.45051943  0.26654927  0.77030795
   0.09742920  0.32161230  0.53310782
   0.36102699  0.47610557  0.84755295
   0.42086202  0.48279001  0.65487967
   0.19943697  0.39366504  0.71720204
   0.25862905  0.22860329 -0.11071560
   0.03159139  0.13973338  0.91635745
   0.05430774  0.56810285  0.07366542
   0.34202328  0.68756764  0.28214278
   0.09077538  0.83583779  0.04751713
   0.36133112  0.93985749  0.35138996
   0.41022523  0.89008862  0.17031253
   0.15914025  0.86365427  0.23157672
   0.31990855  0.63174007  0.47212949
   0.07487571  0.69017936  0.40204705
   0.12005756  0.57724549  0.59008471
   0.31499818  0.70337256  0.76811028
   0.12498458  0.84118747  0.52154384
   0.36904687  1.00430788  0.79998469
   0.44357073  0.90540245  0.63052329
   0.17677418  0.93573904  0.69763212
   0.25873740  0.65454225 -0.03475691
   0.00454283  0.66354522  0.91021617
   0.61497775  0.06272395  0.10939808
   0.81015407  0.21471811  0.27100737
   0.58480514  0.31951362  0.04238193
   0.97329563  0.43875838  0.38120219
   0.00020238  0.35698159  0.19022136
   0.74717879  0.44679963  0.16597495
   0.76311091  0.17077214  0.45816522
   0.50227856  0.13373493  0.42539818
   0.60961849  0.07286326  0.58950478
   0.81657341  0.20922792  0.79521091
   0.57004389  0.32175555  0.54653771
   0.85549675  0.45944667  0.85866345
   0.96199352  0.39319379  0.68108164
   0.69834098  0.44090762  0.69575809
   0.77371292  0.13096676  0.97189563
   0.52289312  0.11373092  0.92775924
   0.54688295  0.59299083  0.08131643
   0.83871412  0.68275813  0.29087878
   0.59175301  0.83906360  0.03210549
   0.82762223  0.96706491  0.34737833
   0.90248604  0.87445085  0.18119521
   0.65179264  0.84736357  0.22890096
   0.81991998  0.61355287  0.47824800
   0.57051576  0.58420057  0.38701720
   0.59866896  0.60820383  0.57461420
   0.80853375  0.70507861  0.78746134
   0.64552708  0.81571389  0.43216203
   0.89756708  0.94655892  0.85102718
   0.92988669  0.87478746  0.66543019
   0.68074835  0.93562655  0.74192396
   0.75122853  0.64511000  0.96742589
   0.50926643  0.69114727  0.89195840
   0.68754405  0.81316120  0.59291899
   0.57649179  0.87191215  0.45053381
   0.83451572  0.23213539  0.09133621
   1.00037384  0.41177089  0.32039940
   0.32128600  0.13495236  0.63873664
   0.26076074  0.79259263  0.75328223
  -0.03443382  1.10279891  0.11449636
   0.21764700  1.07232676  0.01982388
   0.62857795  0.36260406  0.85818912
   0.86178155  0.40928717  0.64514835
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803413    0.591694   -0.056426
    -0.000000    9.874498    0.365084
    -0.000000    0.000000   13.952718
   Si   O    H 
    32    64    10
Direct configuration=   977
   0.15646174  0.18466826 -0.02458823
   0.35904778  0.10281805  0.37702566
   0.10145540  0.41376641  0.11356495
   0.35118990  0.34896246  0.25324202
   0.09696028  0.17191558  0.48703411
   0.39629676  0.14925249  0.84821285
   0.09875151  0.41854419  0.62326663
   0.35639178  0.40535319  0.74738511
   0.10208153  0.68577911  0.00073325
   0.39615997  0.58873113  0.37236864
   0.04908606  0.90784150  0.14420253
   0.31364838  0.85269758  0.26060452
   0.16428701  0.67882911  0.49959840
   0.35879728  0.64272705  0.87075220
   0.06625060  0.92995569  0.61037006
   0.32671300  0.99735257  0.68770802
   0.62374418  0.15564279  1.01436842
   0.85638463  0.11750186  0.36725088
   0.59549788  0.43912652  0.11866944
   0.84831087  0.31737254  0.17440705
   0.60954604  0.18175444  0.49931996
   0.87614142  0.11059178  0.88160102
   0.57600178  0.45533101  0.61739166
   0.75104442  0.37115030  0.79907656
   0.59480552  0.68792861 -0.00955833
   0.93982141  0.60063775  0.38382602
   0.56262488  0.91225062  0.13184723
   0.80563569  0.84187577  0.27116668
   0.65952750  0.65492036  0.47157128
   0.85630805  0.61864975  0.88033390
   0.60496328  0.91813091  0.63591296
   0.83155896  0.86552134  0.75826931
   0.06734230  0.07591953  0.12846332
   0.32867837  0.19106876  0.27660148
   0.10581302  0.33253978  0.01683086
   0.33868041  0.43797909  0.34888605
   0.49675451  0.37936915  0.20060663
   0.24372903  0.39445807  0.17140179
   0.25513273  0.13851476  0.46657357
   0.02409657  0.14722888  0.38339702
   0.02996414  0.07761884  0.57008266
   0.45158015  0.26621870  0.77181880
   0.09664875  0.32159119  0.53327506
   0.36117070  0.47664603  0.84711319
   0.42112801  0.48438234  0.65476827
   0.20180045  0.39333123  0.71727877
   0.25804785  0.22636164 -0.11174003
   0.03138840  0.14005000  0.91633389
   0.05437309  0.56717396  0.07412268
   0.34238847  0.68617477  0.28289855
   0.09166228  0.83737780  0.04663716
   0.36209267  0.94132782  0.35184046
   0.41091651  0.89178685  0.16929483
   0.15839111  0.86389975  0.23006261
   0.32013105  0.63280211  0.47162821
   0.07191677  0.69134929  0.40169038
   0.12223356  0.57749317  0.58946924
   0.31399893  0.70508406  0.77009059
   0.12572443  0.84161110  0.52256280
   0.36699946  1.00468595  0.79965485
   0.44297561  0.90502648  0.63051180
   0.17745032  0.93611201  0.69830439
   0.25767828  0.65500595 -0.03520342
   0.00378359  0.66356915  0.91002330
   0.61361375  0.06218946  0.10949310
   0.81075552  0.21328555  0.27128681
   0.58535123  0.31760458  0.04233935
   0.97420581  0.44066562  0.38147113
   0.00113396  0.35530645  0.19043875
   0.74684750  0.44601930  0.16646192
   0.76286811  0.17106844  0.45721366
   0.50359803  0.13557758  0.42551703
   0.61112663  0.07406141  0.59025725
   0.81669372  0.20773000  0.79694143
   0.56974800  0.32140179  0.54780647
   0.85722219  0.46130809  0.85798151
   0.96118953  0.39425430  0.68157272
   0.69858842  0.44020745  0.69658283
   0.77428266  0.12919735  0.97228526
   0.52214067  0.11288114  0.92759442
   0.54744349  0.59213289  0.08208640
   0.83815717  0.68253467  0.29019138
   0.59198571  0.83838090  0.03191742
   0.82685146  0.96534990  0.34831691
   0.90387626  0.87585031  0.18121373
   0.65280669  0.84655326  0.22806597
   0.81987431  0.61281092  0.47853317
   0.57073533  0.58261534  0.38806850
   0.59830020  0.60656923  0.57336155
   0.81045346  0.70661834  0.78793789
   0.64534820  0.81544241  0.43173737
   0.89593732  0.94729929  0.85069446
   0.93231219  0.87502032  0.66387233
   0.68010537  0.93401759  0.74176313
   0.75290819  0.64504096  0.96784169
   0.50959636  0.69024867  0.89125908
   0.68041426  0.81508421  0.59017141
   0.57483348  0.88082401  0.45900289
   0.83121754  0.22986090  0.09222392
   1.00972630  0.40584164  0.32124593
   0.32037320  0.14148403  0.63349866
   0.26079530  0.78669818  0.75784444
  -0.03064454  1.10240816  0.11178804
   0.21638088  1.06732664  0.01825686
   0.63136728  0.36817606  0.86131685
   0.86910912  0.41663709  0.64843911
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803660    0.590189   -0.057170
    -0.000000    9.875940    0.365859
    -0.000000    0.000000   13.952129
   Si   O    H 
    32    64    10
Direct configuration=   978
   0.15783987  0.18303374 -0.02498838
   0.36129062  0.10218902  0.37707787
   0.10291932  0.41268995  0.11368893
   0.35215104  0.34814654  0.25315175
   0.09566910  0.17165656  0.48681402
   0.39686067  0.15028342  0.84732785
   0.09899746  0.41726484  0.62321301
   0.35549339  0.40452194  0.74714891
   0.10469776  0.68491422  0.00139030
   0.39690828  0.58858127  0.37215611
   0.04948856  0.90828752  0.14384118
   0.31256717  0.85325459  0.26156771
   0.16573813  0.67850918  0.49892685
   0.35709305  0.64195177  0.87166174
   0.06635242  0.93164340  0.61116419
   0.32610747  0.99870229  0.68836854
   0.62344783  0.15443471  1.01440937
   0.85625852  0.11735109  0.36751432
   0.59600903  0.43929836  0.11940504
   0.84899786  0.31950188  0.17444816
   0.60920528  0.18131289  0.49887605
   0.87619213  0.11085504  0.88199372
   0.57552304  0.45705026  0.61706828
   0.74961293  0.37132006  0.79851399
   0.59463361  0.68836962 -0.00974014
   0.93893916  0.60104036  0.38276920
   0.56255876  0.91058976  0.13157058
   0.80601525  0.84285287  0.27006065
   0.65956845  0.65341549  0.47230904
   0.85692507  0.62065214  0.88139734
   0.60382394  0.91859673  0.63628855
   0.83009226  0.86572848  0.75809265
   0.06707045  0.07773113  0.12813043
   0.32787343  0.19073069  0.27734549
   0.10550655  0.33363896  0.01638822
   0.33798829  0.43783986  0.34758276
   0.49664676  0.38081184  0.19986257
   0.24147476  0.39442977  0.17155404
   0.25592896  0.14005606  0.46530188
   0.02516100  0.14557041  0.38414012
   0.03074124  0.07647483  0.57089726
   0.45265391  0.26593160  0.77309219
   0.09597410  0.32171574  0.53349242
   0.36047888  0.47770281  0.84765138
   0.42132119  0.48603576  0.65515603
   0.20362250  0.39345844  0.71648978
   0.25845038  0.22433469 -0.11201302
   0.02954833  0.14026961  0.91631877
   0.05459372  0.56613689  0.07485861
   0.34253974  0.68530909  0.28351714
   0.09255701  0.83838195  0.04551996
   0.36223026  0.94335905  0.35232257
   0.41123404  0.89337039  0.16805531
   0.15736650  0.86344758  0.22895027
   0.31939693  0.63430421  0.47089409
   0.06908825  0.69159164  0.40171709
   0.12481840  0.57862801  0.58865532
   0.31348453  0.70646852  0.77156243
   0.12625162  0.84186775  0.52396417
   0.36479382  1.00581521  0.79967540
   0.44182835  0.90437957  0.63050182
   0.17811367  0.93609425  0.69887611
   0.25662044  0.65601008 -0.03517887
   0.00309240  0.66285039  0.90978440
   0.61239977  0.06151224  0.10905485
   0.81134543  0.21235554  0.27160693
   0.58575305  0.31525380  0.04208058
   0.97429402  0.44251896  0.38145397
   0.00172039  0.35340206  0.19121364
   0.74634601  0.44541450  0.16669538
   0.76285551  0.17064427  0.45574803
   0.50430942  0.13721608  0.42468377
   0.61289668  0.07511286  0.59060907
   0.81647310  0.20588125  0.79802211
   0.57001840  0.32203628  0.54909275
   0.85908496  0.46242299  0.85665246
   0.95921916  0.39513563  0.68214586
   0.69831036  0.43982894  0.69734195
   0.77465450  0.12707007  0.97266802
   0.52110194  0.11231188  0.92746593
   0.54854702  0.59083280  0.08309264
   0.83901840  0.68232426  0.29033091
   0.59303556  0.83759016  0.03208014
   0.82596924  0.96321772  0.34974889
   0.90400675  0.87666995  0.18102721
   0.65349991  0.84574805  0.22721322
   0.81978219  0.61291769  0.47918544
   0.57081853  0.58078942  0.38893743
   0.59785073  0.60523419  0.57197896
   0.81148646  0.70857547  0.78809653
   0.64416457  0.81531891  0.43161160
   0.89485027  0.94789444  0.85038185
   0.93454659  0.87556677  0.66308450
   0.67906573  0.93265271  0.74160404
   0.75442937  0.64540055  0.96788572
   0.51055067  0.68953734  0.89042849
   0.67319838  0.81572709  0.58514275
   0.57536798  0.88492562  0.46514618
   0.83197454  0.23031111  0.09231469
   1.01908986  0.39574025  0.31954509
   0.32256220  0.13950531  0.62952011
   0.25738038  0.78795845  0.76054766
  -0.02351659  1.10484937  0.10969535
   0.22412091  1.05742351  0.01895245
   0.63396459  0.37224035  0.86392809
   0.88427391  0.42201249  0.65381532
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803928    0.588635   -0.058060
    -0.000000    9.877072    0.366160
    -0.000000    0.000000   13.951473
   Si   O    H 
    32    64    10
Direct configuration=   979
   0.15875632  0.18135566 -0.02554956
   0.36312142  0.10209126  0.37750184
   0.10401740  0.41160991  0.11374229
   0.35277430  0.34732058  0.25309441
   0.09472154  0.17137939  0.48658378
   0.39736878  0.15154364  0.84703554
   0.09944237  0.41665353  0.62316885
   0.35496165  0.40403159  0.74697789
   0.10738341  0.68418114  0.00229931
   0.39777165  0.58788406  0.37213158
   0.04993867  0.90917644  0.14329807
   0.31177859  0.85372782  0.26254343
   0.16672547  0.67870166  0.49786112
   0.35509191  0.64081496  0.87242905
   0.06635780  0.93304536  0.61182036
   0.32616541  1.00022977  0.68892137
   0.62268630  0.15386920  1.01431007
   0.85669917  0.11699166  0.36792539
   0.59630014  0.43888040  0.11967363
   0.84950221  0.32093480  0.17450909
   0.60949447  0.18093086  0.49867774
   0.87620613  0.11120142  0.88219813
   0.57493722  0.45869626  0.61688211
   0.74824816  0.37178368  0.79896049
   0.59457862  0.68931661 -0.00958505
   0.93744592  0.60133831  0.38188059
   0.56273668  0.90842709  0.13130202
   0.80637140  0.84374022  0.26880572
   0.65961006  0.65224820  0.47270071
   0.85727280  0.62254079  0.88202460
   0.60299595  0.91945949  0.63656741
   0.82874075  0.86559082  0.75832950
   0.06749679  0.07912647  0.12822013
   0.32663224  0.19023081  0.27858481
   0.10475439  0.33323845  0.01600908
   0.33822420  0.43725319  0.34640021
   0.49599888  0.38174094  0.19950218
   0.23997675  0.39468367  0.17170917
   0.25597042  0.14138120  0.46367823
   0.02538891  0.14413581  0.38496909
   0.03123795  0.07624496  0.57119643
   0.45389016  0.26545359  0.77442684
   0.09500981  0.32192577  0.53352266
   0.35952964  0.47842506  0.84826204
   0.42175415  0.48786205  0.65543015
   0.20469426  0.39347899  0.71558502
   0.25883716  0.22271582 -0.11211085
   0.02753975  0.14072342  0.91619545
   0.05527303  0.56570292  0.07624570
   0.34256454  0.68496646  0.28358009
   0.09358428  0.83913221  0.04398831
   0.36228652  0.94530887  0.35266566
   0.41117855  0.89483149  0.16651409
   0.15661082  0.86355258  0.22787025
   0.31994300  0.63590754  0.47015613
   0.06702729  0.69177358  0.40108462
   0.12743640  0.57967121  0.58737181
   0.31363672  0.70814795  0.77260033
   0.12643941  0.84140362  0.52557846
   0.36379547  1.00699348  0.79993909
   0.44008623  0.90352000  0.63066197
   0.17806277  0.93592685  0.69963947
   0.25647290  0.65739848 -0.03491454
   0.00253393  0.66255253  0.90989554
   0.61135034  0.06090434  0.10840465
   0.81182126  0.21174281  0.27166404
   0.58551238  0.31312188  0.04211195
   0.97491264  0.44374454  0.38130371
   0.00202019  0.35143999  0.19207594
   0.74609594  0.44578553  0.16718309
   0.76296795  0.16973137  0.45410887
   0.50486535  0.13865620  0.42329906
   0.61472933  0.07583872  0.59045813
   0.81571609  0.20503992  0.79878180
   0.57011446  0.32269238  0.55043413
   0.86149712  0.46332960  0.85546926
   0.95881450  0.39554509  0.68348176
   0.69828831  0.43907889  0.69808208
   0.77489728  0.12505777  0.97302537
   0.51976205  0.11243933  0.92771350
   0.54902509  0.58943780  0.08366556
   0.84051024  0.68261187  0.29064005
   0.59425236  0.83695352  0.03197888
   0.82590053  0.96073644  0.35082417
   0.90380494  0.87696731  0.18046426
   0.65349329  0.84579822  0.22598198
   0.82020502  0.61243038  0.48002807
   0.57001998  0.57878771  0.38957871
   0.59758614  0.60348969  0.57107310
   0.81208328  0.70956633  0.78833953
   0.64343266  0.81546606  0.43113574
   0.89428734  0.94876451  0.84971171
   0.93594258  0.87580707  0.66258226
   0.67683466  0.93123116  0.74133702
   0.75555664  0.64535435  0.96839857
   0.51174369  0.68918623  0.88947581
   0.66759716  0.81382730  0.58110613
   0.58588625  0.87979642  0.46587360
   0.83335258  0.23414552  0.09387375
   1.02954131  0.39436325  0.32215912
   0.32244251  0.13379243  0.62949336
   0.24776651  0.79156067  0.76226630
  -0.02499088  1.11008164  0.10771774
   0.23671529  1.04870710  0.01855038
   0.63634926  0.37432830  0.86763199
   0.87258522  0.43314015  0.64967060
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804324    0.586869   -0.058527
    -0.000000    9.877782    0.366511
    -0.000000    0.000000   13.950518
   Si   O    H 
    32    64    10
Direct configuration=   980
   0.16034026  0.18024227 -0.02590677
   0.36465888  0.10165409  0.37785611
   0.10488470  0.41128836  0.11357142
   0.35312902  0.34666567  0.25264703
   0.09353426  0.17196708  0.48661421
   0.39830870  0.15267236  0.84668065
   0.10037992  0.41597618  0.62301037
   0.35425966  0.40314213  0.74680522
   0.10963229  0.68269682  0.00317506
   0.39908044  0.58677397  0.37238645
   0.05019143  0.91002672  0.14269418
   0.31143442  0.85432215  0.26376800
   0.16739115  0.67926517  0.49707280
   0.35337501  0.64007215  0.87299437
   0.06637519  0.93406947  0.61246809
   0.32621606  1.00163679  0.68913985
   0.62257807  0.15358277  1.01338954
   0.85740795  0.11618002  0.36820669
   0.59648124  0.43829755  0.11969052
   0.84965870  0.32168793  0.17452242
   0.61004234  0.18106852  0.49839885
   0.87601956  0.11141174  0.88193565
   0.57416007  0.46007892  0.61681093
   0.74721179  0.37230155  0.79936421
   0.59511185  0.69002327 -0.00961705
   0.93490481  0.60208015  0.38150838
   0.56365336  0.90668081  0.13134162
   0.80610619  0.84497341  0.26783738
   0.65927120  0.65146332  0.47278828
   0.85744367  0.62445681  0.88256269
   0.60294988  0.92080950  0.63684070
   0.82760528  0.86601135  0.75896104
   0.06812465  0.07909470  0.12835359
   0.32535201  0.19029806  0.27951072
   0.10392054  0.33286267  0.01521677
   0.33905369  0.43615318  0.34499842
   0.49557169  0.38204913  0.19975334
   0.23795636  0.39511520  0.17244936
   0.25597772  0.14173470  0.46223560
   0.02590771  0.14225485  0.38615624
   0.03237281  0.07692396  0.57136812
   0.45465684  0.26463915  0.77493848
   0.09337563  0.32265094  0.53291500
   0.35934733  0.48022991  0.84882967
   0.42144031  0.48881194  0.65581485
   0.20506223  0.39221489  0.71412632
   0.25899783  0.22159762 -0.11253595
   0.02599640  0.14169826  0.91570769
   0.05622979  0.56565136  0.07766499
   0.34186476  0.68515266  0.28335997
   0.09423574  0.83956574  0.04238673
   0.36198478  0.94620368  0.35270126
   0.41008878  0.89619111  0.16450430
   0.15648857  0.86376969  0.22710681
   0.32090689  0.63749866  0.46917522
   0.06519087  0.69123929  0.40013035
   0.12960464  0.58031520  0.58597734
   0.31222943  0.71124555  0.77371473
   0.12699933  0.84028186  0.52704629
   0.36265716  1.00810150  0.80044828
   0.43838526  0.90258420  0.63123059
   0.17822279  0.93550927  0.69975885
   0.25710489  0.65898555 -0.03512630
   0.00279781  0.66254985  0.91040739
   0.61007743  0.06036932  0.10838584
   0.81303404  0.21114456  0.27159940
   0.58530855  0.31127588  0.04179831
   0.97625606  0.44309091  0.38023746
   0.00246472  0.35058878  0.19325324
   0.74576994  0.44648925  0.16764803
   0.76289844  0.16876397  0.45263225
   0.50538958  0.14037367  0.42174588
   0.61724209  0.07564257  0.58954476
   0.81480147  0.20555564  0.79912202
   0.57019102  0.32316309  0.55154202
   0.86327799  0.46336338  0.85418194
   0.95842152  0.39639857  0.68467162
   0.69804835  0.43838254  0.69833696
   0.77508466  0.12306132  0.97336346
   0.51797682  0.11334731  0.92782345
   0.54944449  0.58891824  0.08326278
   0.84050276  0.68259673  0.29117260
   0.59566105  0.83684476  0.03196091
   0.82573610  0.95772299  0.35162260
   0.90351307  0.87694215  0.17995688
   0.65320167  0.84517248  0.22456583
   0.82047096  0.61144991  0.48007913
   0.56872030  0.57653434  0.38995885
   0.59760961  0.60249196  0.57008858
   0.81293663  0.71133395  0.78821794
   0.64270399  0.81533006  0.43111229
   0.89387599  0.94902401  0.84852891
   0.93615362  0.87598301  0.66233413
   0.67435017  0.92995154  0.74075762
   0.75619066  0.64617839  0.96945672
   0.51238209  0.68817305  0.88896601
   0.66434241  0.81210753  0.57952423
   0.59761572  0.87455195  0.46481383
   0.83701492  0.23826186  0.09417190
   1.02913499  0.40153864  0.33194037
   0.32376620  0.12854118  0.63301343
   0.24202308  0.79084520  0.76336342
  -0.02622923  1.11879529  0.10559298
   0.24658064  1.04474170  0.01887205
   0.63732262  0.37260903  0.86899891
   0.86470426  0.43919489  0.64903476
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804613    0.585181   -0.059283
    -0.000000    9.878818    0.366793
    -0.000000    0.000000   13.949580
   Si   O    H 
    32    64    10
Direct configuration=   981
   0.16142891  0.17860275 -0.02535866
   0.36574583  0.10108483  0.37827550
   0.10520004  0.41111322  0.11315242
   0.35364726  0.34613220  0.25238339
   0.09238386  0.17335907  0.48640686
   0.39920640  0.15353487  0.84635760
   0.10159509  0.41534747  0.62294284
   0.35440585  0.40246130  0.74685609
   0.11166897  0.68161490  0.00387929
   0.40050355  0.58598605  0.37239500
   0.05084822  0.91092781  0.14211503
   0.31094944  0.85422450  0.26489727
   0.16737484  0.68009374  0.49594979
   0.35212570  0.63866682  0.87341173
   0.06680860  0.93471739  0.61320546
   0.32647913  1.00311931  0.68945888
   0.62224050  0.15340374  1.01216149
   0.85798077  0.11540311  0.36806002
   0.59661273  0.43729937  0.11937071
   0.84968177  0.32217003  0.17546535
   0.61075367  0.18146725  0.49824162
   0.87595757  0.11112767  0.88230972
   0.57334433  0.46120158  0.61663129
   0.74684441  0.37192537  0.80035386
   0.59550722  0.69000783 -0.00946328
   0.93293291  0.60285263  0.38108466
   0.56380761  0.90529346  0.13156048
   0.80593597  0.84637737  0.26706175
   0.65933369  0.65057243  0.47241552
   0.85737257  0.62551631  0.88274087
   0.60259255  0.92216672  0.63713955
   0.82692461  0.86630507  0.75995978
   0.06818570  0.07837134  0.12802518
   0.32467251  0.19065385  0.28015371
   0.10340275  0.33203344  0.01502954
   0.33924271  0.43585171  0.34372830
   0.49553855  0.38185775  0.20027737
   0.23676104  0.39608250  0.17406382
   0.25601696  0.14158334  0.46112186
   0.02601020  0.14033466  0.38758019
   0.03362931  0.07843029  0.57120626
   0.45481082  0.26520847  0.77438366
   0.09244147  0.32311204  0.53284199
   0.35936846  0.48098035  0.84905517
   0.42162449  0.48962280  0.65614411
   0.20493874  0.39062447  0.71273312
   0.25928636  0.22055749 -0.11268302
   0.02473571  0.14273540  0.91603803
   0.05702700  0.56645488  0.07881837
   0.34033553  0.68632050  0.28290361
   0.09425490  0.83999209  0.04077811
   0.36219480  0.94587382  0.35242204
   0.40900342  0.89716104  0.16269405
   0.15626876  0.86400525  0.22619069
   0.32150076  0.63774589  0.46824999
   0.06329095  0.69050521  0.39948583
   0.13146713  0.58077884  0.58437916
   0.31043836  0.71438282  0.77434809
   0.12718754  0.83870009  0.52863429
   0.36164116  1.00970742  0.80111021
   0.43674630  0.90122388  0.63166859
   0.17803714  0.93529031  0.69984094
   0.25761036  0.66034668 -0.03485835
   0.00335698  0.66290096  0.91065989
   0.60797576  0.05986924  0.10781312
   0.81446155  0.21123342  0.27113604
   0.58615521  0.31000594  0.04092856
   0.97689447  0.44293929  0.37971275
   0.00348106  0.35045806  0.19485323
   0.74439046  0.44771436  0.16790328
   0.76418666  0.16848163  0.45129561
   0.50613315  0.14084571  0.42059262
   0.61959762  0.07514354  0.58882178
   0.81355094  0.20691059  0.79864288
   0.57067484  0.32344407  0.55290374
   0.86582281  0.46374010  0.85307640
   0.95692158  0.39773739  0.68491949
   0.69735226  0.43836220  0.69775213
   0.77560316  0.12117427  0.97353587
   0.51639706  0.11387161  0.92799128
   0.54954549  0.58860845  0.08255811
   0.84162453  0.68222489  0.29152536
   0.59736711  0.83680789  0.03261011
   0.82557401  0.95450128  0.35235776
   0.90355250  0.87721006  0.17946979
   0.65232582  0.84511572  0.22350646
   0.82133238  0.61000189  0.47944643
   0.56710632  0.57517556  0.38943916
   0.59710950  0.60108254  0.56906435
   0.81372516  0.71288714  0.78831944
   0.64321639  0.81382451  0.43020140
   0.89337558  0.94874122  0.84708983
   0.93618207  0.87520780  0.66215118
   0.67212213  0.92876424  0.74080842
   0.75672478  0.64605916  0.97032919
   0.51212491  0.68692010  0.88875317
   0.66111101  0.81758875  0.58244499
   0.59654566  0.88641964  0.47224685
   0.84112345  0.24550473  0.09250027
   1.03012143  0.40549813  0.33519556
   0.32408097  0.12455100  0.63674554
   0.23901228  0.78730498  0.76439798
  -0.02018233  1.12409652  0.10765992
   0.25313604  1.04959458  0.01710436
   0.63662662  0.37577748  0.87084242
   0.87048944  0.43758900  0.65423140
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804969    0.583975   -0.060064
    -0.000000    9.879740    0.367008
    -0.000000    0.000000   13.948610
   Si   O    H 
    32    64    10
Direct configuration=   982
   0.16242731  0.17651130 -0.02460115
   0.36654322  0.09966393  0.37895519
   0.10544292  0.41142924  0.11262515
   0.35368071  0.34590795  0.25244219
   0.09182624  0.17555795  0.48658591
   0.40056697  0.15375249  0.84650592
   0.10238113  0.41577686  0.62256929
   0.35450195  0.40228796  0.74716646
   0.11247701  0.68134907  0.00485124
   0.40175588  0.58480715  0.37243701
   0.05208938  0.91128596  0.14228348
   0.31091408  0.85319800  0.26545265
   0.16812957  0.68109020  0.49504306
   0.35121345  0.63758828  0.87397937
   0.06715499  0.93478112  0.61411237
   0.32704912  1.00405394  0.68998139
   0.62152721  0.15390781  1.01079241
   0.85852288  0.11502025  0.36756217
   0.59562289  0.43630262  0.11918296
   0.84940590  0.32210257  0.17674360
   0.61171766  0.18147544  0.49812446
   0.87581056  0.11006651  0.88265596
   0.57325437  0.46133524  0.61641154
   0.74710304  0.37131100  0.80128609
   0.59588578  0.68982933 -0.00962424
   0.93021899  0.60403774  0.38070746
   0.56354869  0.90448131  0.13207814
   0.80626247  0.84782770  0.26673085
   0.65953502  0.64955707  0.47167569
   0.85733792  0.62563529  0.88241458
   0.60238979  0.92275280  0.63738233
   0.82684185  0.86677379  0.76086252
   0.06833904  0.07740790  0.12774050
   0.32455697  0.19097430  0.28020783
   0.10291078  0.33102934  0.01536495
   0.33907168  0.43612556  0.34316517
   0.49570147  0.38196680  0.20095288
   0.23585354  0.39733684  0.17573861
   0.25605484  0.14052292  0.46079878
   0.02414836  0.13760545  0.38867244
   0.03462726  0.08000297  0.57105746
   0.45495155  0.26702903  0.77317467
   0.09266342  0.32245283  0.53292154
   0.35924516  0.48175211  0.84930466
   0.42231588  0.48963914  0.65705384
   0.20443915  0.38874163  0.71144991
   0.26000292  0.22016147 -0.11311622
   0.02377390  0.14359693  0.91562946
   0.05768910  0.56728583  0.07984144
   0.33937635  0.68762565  0.28266858
   0.09473169  0.83936173  0.03990350
   0.36108325  0.94487274  0.35207625
   0.40778571  0.89704966  0.16139895
   0.15650963  0.86456127  0.22544778
   0.32208237  0.63797164  0.46694103
   0.06262240  0.69008621  0.39875734
   0.13366555  0.57956634  0.58343243
   0.30846995  0.71771010  0.77471475
   0.12680793  0.83723401  0.53010900
   0.36142699  1.01299767  0.80186122
   0.43508598  0.90071369  0.63202927
   0.17942855  0.93494036  0.69992883
   0.25884064  0.66217558 -0.03443737
   0.00419279  0.66381446  0.91148497
   0.60553153  0.05975041  0.10750358
   0.81630305  0.21179596  0.27029310
   0.58700062  0.30914519  0.04060367
   0.97693513  0.44332448  0.38026937
   0.00457095  0.35062736  0.19711582
   0.74276148  0.44880566  0.16782782
   0.76522985  0.16827692  0.45063041
   0.50700203  0.14166775  0.41925448
   0.62220471  0.07496917  0.58735592
   0.81216021  0.20845014  0.79805835
   0.57134679  0.32478990  0.55405263
   0.86699409  0.46387865  0.85178801
   0.95452676  0.39868856  0.68429886
   0.69587986  0.43826876  0.69696225
   0.77580192  0.12019507  0.97405034
   0.51527066  0.11533649  0.92808030
   0.54923675  0.58762956  0.08153600
   0.84228826  0.68287826  0.29145188
   0.59926406  0.83623413  0.03308291
   0.82627159  0.95179936  0.35275557
   0.90372151  0.87738114  0.17915663
   0.65217639  0.84431500  0.22248343
   0.82271370  0.60874579  0.47834972
   0.56588597  0.57422756  0.38902012
   0.59624655  0.59970663  0.56879638
   0.81469709  0.71434402  0.78837784
   0.64327688  0.81324661  0.42983478
   0.89358648  0.94906345  0.84558181
   0.93560132  0.87482771  0.66231325
   0.67064535  0.92702959  0.74126694
   0.75663821  0.64711676  0.97138242
   0.51133206  0.68489905  0.88877333
   0.66690951  0.82000427  0.58625933
   0.59924827  0.88862938  0.47508907
   0.84320357  0.24774046  0.08777107
   1.04220774  0.40239971  0.32654239
   0.32336575  0.12967859  0.63911456
   0.23675984  0.78246220  0.76545168
  -0.01308513  1.12593470  0.10860298
   0.25410613  1.06244366  0.01678740
   0.63501550  0.38052959  0.86877126
   0.88049212  0.43525662  0.65667695
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805509    0.582974   -0.060536
    -0.000000    9.880368    0.367122
    -0.000000    0.000000   13.947821
   Si   O    H 
    32    64    10
Direct configuration=   983
   0.16353393  0.17481500 -0.02385789
   0.36688771  0.09906379  0.37944269
   0.10522270  0.41154948  0.11196230
   0.35392744  0.34562519  0.25205998
   0.09175454  0.17769352  0.48661554
   0.40151079  0.15305333  0.84644147
   0.10263686  0.41640956  0.62256749
   0.35508250  0.40175495  0.74742388
   0.11223151  0.68171580  0.00543413
   0.40297337  0.58364314  0.37204719
   0.05341889  0.91168334  0.14225377
   0.31119504  0.85267865  0.26514089
   0.16848788  0.68275524  0.49439258
   0.35026258  0.63713282  0.87377222
   0.06727804  0.93437433  0.61510672
   0.32745641  1.00390554  0.69039009
   0.62039670  0.15469140  1.00951995
   0.85918664  0.11552656  0.36678621
   0.59433756  0.43545857  0.11891453
   0.84894208  0.32088402  0.17828841
   0.61308628  0.18168975  0.49797309
   0.87569691  0.10870999  0.88251767
   0.57327558  0.46120778  0.61611956
   0.74766280  0.36998049  0.80223676
   0.59608176  0.69002499 -0.00976331
   0.92748909  0.60550887  0.38042564
   0.56370732  0.90416546  0.13263542
   0.80613197  0.84830081  0.26682505
   0.65985950  0.64937624  0.47031510
   0.85714219  0.62599158  0.88226079
   0.60170982  0.92323483  0.63807167
   0.82697381  0.86764479  0.76109737
   0.06817960  0.07532687  0.12773860
   0.32484088  0.19094397  0.28063997
   0.10240427  0.33005049  0.01576659
   0.33911194  0.43655283  0.34280241
   0.49570236  0.38156127  0.20189292
   0.23605052  0.39813485  0.17743658
   0.25623290  0.13975210  0.46053369
   0.02269056  0.13492850  0.38992064
   0.03563267  0.08239257  0.57070128
   0.45466603  0.26909786  0.77200764
   0.09238326  0.32244770  0.53260434
   0.35969444  0.48159487  0.84945390
   0.42285584  0.48998203  0.65813671
   0.20364472  0.38610766  0.71091062
   0.26069529  0.21985744 -0.11325409
   0.02332011  0.14429328  0.91544396
   0.05812321  0.56790575  0.08091179
   0.33887634  0.68874483  0.28247880
   0.09529303  0.83838971  0.03947446
   0.36002191  0.94354564  0.35204146
   0.40595084  0.89690229  0.15993514
   0.15750216  0.86562261  0.22508985
   0.32246420  0.63844944  0.46585042
   0.06203641  0.68971143  0.39827558
   0.13500536  0.57743870  0.58270883
   0.30707372  0.72064793  0.77502195
   0.12676537  0.83538599  0.53163029
   0.36160220  1.01572062  0.80238376
   0.43434277  0.90170533  0.63236680
   0.18032587  0.93439773  0.70024040
   0.26048490  0.66434094 -0.03387307
   0.00523205  0.66527144  0.91239304
   0.60307016  0.05958342  0.10692100
   0.81739395  0.21191447  0.26980945
   0.58771165  0.30897804  0.04016949
   0.97672314  0.44343463  0.37991564
   0.00582225  0.35194610  0.19859786
   0.74197724  0.44998828  0.16854403
   0.76531072  0.16867963  0.45027898
   0.50796867  0.14244085  0.41728510
   0.62510135  0.07365561  0.58604962
   0.81084888  0.21046064  0.79740053
   0.57256230  0.32563183  0.55423961
   0.86775999  0.46434586  0.85100558
   0.95370452  0.39922152  0.68359484
   0.69367798  0.43841493  0.69658826
   0.77593988  0.11944120  0.97452735
   0.51420175  0.11716569  0.92871607
   0.54831010  0.58658698  0.08059860
   0.84233600  0.68330109  0.29189959
   0.60140854  0.83481992  0.03286438
   0.82705084  0.94984440  0.35301275
   0.90452984  0.87766033  0.17899119
   0.65222546  0.84321422  0.22183061
   0.82370116  0.60783460  0.47754032
   0.56484969  0.57294827  0.38824582
   0.59506984  0.59890480  0.56868718
   0.81497188  0.71554931  0.78766010
   0.64282254  0.81313572  0.43006578
   0.89316880  0.94953348  0.84460505
   0.93488634  0.87392946  0.66355886
   0.66933948  0.92548570  0.74258785
   0.75703810  0.64789605  0.97194917
   0.50990164  0.68361218  0.88925553
   0.67892932  0.81730896  0.58583535
   0.60654471  0.88202390  0.47145291
   0.84893861  0.24752500  0.08517102
   1.04607542  0.40351921  0.32373995
   0.31891913  0.14103688  0.63974124
   0.22669798  0.78654937  0.76322832
  -0.01564012  1.13326481  0.10984831
   0.25047606  1.07400638  0.01737108
   0.63514097  0.38405746  0.86832343
   0.86835703  0.44231243  0.64870357
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806230    0.581919   -0.061187
    -0.000000    9.880503    0.367000
    -0.000000    0.000000   13.946697
   Si   O    H 
    32    64    10
Direct configuration=   984
   0.16399862  0.17394305 -0.02391673
   0.36652414  0.09891547  0.37989362
   0.10535637  0.41202244  0.11179046
   0.35336255  0.34584478  0.25181601
   0.09222305  0.17881741  0.48649527
   0.40259113  0.15254198  0.84728862
   0.10211327  0.41736837  0.62241847
   0.35604067  0.40181973  0.74774926
   0.11145329  0.68217135  0.00594214
   0.40389904  0.58190602  0.37171405
   0.05449418  0.91256246  0.14225455
   0.31165797  0.85169118  0.26457029
   0.16826333  0.68408522  0.49393457
   0.34951062  0.63668369  0.87329432
   0.06739026  0.93334418  0.61615866
   0.32794987  1.00376754  0.69069669
   0.62012052  0.15477368  1.00868757
   0.85974412  0.11600546  0.36625086
   0.59338024  0.43472449  0.11902690
   0.84818404  0.31890225  0.17982496
   0.61496256  0.18202611  0.49824964
   0.87605841  0.10715930  0.88253993
   0.57306616  0.46017070  0.61637733
   0.74862203  0.36894435  0.80335626
   0.59611076  0.68942778 -0.00964714
   0.92486271  0.60699859  0.38041402
   0.56431395  0.90373617  0.13356472
   0.80624967  0.84873900  0.26736071
   0.65986966  0.64944687  0.46963463
   0.85662152  0.62601867  0.88211423
   0.60084311  0.92361609  0.63896765
   0.82779581  0.86899344  0.76123813
   0.06853093  0.07311999  0.12788720
   0.32610328  0.19036647  0.28148319
   0.10184732  0.32862956  0.01642090
   0.33966447  0.43753880  0.34342418
   0.49587797  0.38117702  0.20327825
   0.23648664  0.39918122  0.17852068
   0.25624460  0.13885221  0.46050774
   0.02151712  0.13260980  0.39086921
   0.03675965  0.08432994  0.57076448
   0.45525087  0.27053575  0.77082724
   0.09187829  0.32262483  0.53161802
   0.36048067  0.48189162  0.84941933
   0.42366489  0.49002596  0.65943933
   0.20232322  0.38398670  0.71002093
   0.26028217  0.21990807 -0.11345158
   0.02384866  0.14502068  0.91561756
   0.05888088  0.56806623  0.08226874
   0.33913332  0.68984031  0.28199130
   0.09650470  0.83688818  0.03893153
   0.35954336  0.94215936  0.35175667
   0.40417954  0.89620287  0.15870427
   0.15757888  0.86631199  0.22479582
   0.32269849  0.63939203  0.46540989
   0.06148569  0.68911901  0.39817693
   0.13551200  0.57467239  0.58213250
   0.30664731  0.72263768  0.77502234
   0.12687275  0.83387063  0.53281062
   0.36254527  1.01747631  0.80289844
   0.43375268  0.90220382  0.63291645
   0.18112168  0.93412641  0.70051608
   0.26175331  0.66578625 -0.03383459
   0.00647701  0.66692178  0.91333304
   0.60126375  0.05974996  0.10645816
   0.81855918  0.21160991  0.26963965
   0.58798419  0.30983357  0.03980314
   0.97785667  0.44309809  0.37901559
   0.00614158  0.35311289  0.19996145
   0.74054320  0.45083809  0.16919959
   0.76555727  0.17036941  0.45004576
   0.50976374  0.14283871  0.41557497
   0.62790196  0.07099854  0.58466119
   0.80956561  0.21345187  0.79680802
   0.57308236  0.32597619  0.55416331
   0.86873155  0.46552259  0.85057551
   0.95307623  0.40072141  0.68248394
   0.69206549  0.43768980  0.69643777
   0.77630348  0.11848237  0.97515954
   0.51278616  0.11808603  0.92838143
   0.54798843  0.58561316  0.07972146
   0.84182539  0.68354748  0.29194176
   0.60318921  0.83376258  0.03293366
   0.82796615  0.94866578  0.35298792
   0.90531213  0.87820262  0.17858669
   0.65329449  0.84268851  0.22199520
   0.82387314  0.60647812  0.47684056
   0.56410243  0.57116770  0.38796219
   0.59434701  0.59937435  0.56837858
   0.81478114  0.71604241  0.78701746
   0.64244322  0.81162150  0.43035662
   0.89258115  0.95034527  0.84396016
   0.93355622  0.87392606  0.66459373
   0.66779456  0.92477945  0.74359061
   0.75645232  0.64787017  0.97190085
   0.50800073  0.68213867  0.89040941
   0.69066628  0.81652359  0.58574983
   0.61131620  0.88019924  0.46727074
   0.85394437  0.24549412  0.08604687
   1.03728990  0.40871086  0.32488268
   0.31193717  0.14756025  0.64117482
   0.22237694  0.78501696  0.76206175
  -0.01400270  1.13522358  0.11267959
   0.25049899  1.08055982  0.02161346
   0.63587893  0.38600391  0.86825693
   0.86336740  0.44244204  0.64662988
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807027    0.580632   -0.061443
    -0.000000    9.880632    0.366532
    -0.000000    0.000000   13.945304
   Si   O    H 
    32    64    10
Direct configuration=   985
   0.16398291  0.17335891 -0.02414743
   0.36620978  0.09899316  0.38008457
   0.10547809  0.41257518  0.11159083
   0.35272282  0.34608186  0.25202564
   0.09276273  0.17988463  0.48653719
   0.40395365  0.15207117  0.84816233
   0.10159754  0.41834271  0.62235587
   0.35628661  0.40260050  0.74808014
   0.10957943  0.68222310  0.00607238
   0.40412895  0.58070635  0.37123883
   0.05584546  0.91295882  0.14218603
   0.31234342  0.85110409  0.26377528
   0.16837219  0.68535668  0.49351506
   0.34876198  0.63697243  0.87265532
   0.06726188  0.93292135  0.61655847
   0.32847174  1.00384381  0.69088562
   0.61932008  0.15452010  1.00816645
   0.86069221  0.11595911  0.36557966
   0.59233645  0.43410857  0.11931684
   0.84766590  0.31684011  0.18136818
   0.61660273  0.18204011  0.49884123
   0.87666357  0.10558546  0.88257159
   0.57325268  0.45859566  0.61687228
   0.74989862  0.36909033  0.80445849
   0.59580618  0.68818645 -0.00936774
   0.92272010  0.60789615  0.38039965
   0.56541204  0.90293474  0.13462740
   0.80634451  0.84902629  0.26724607
   0.65962548  0.64924383  0.46873174
   0.85541456  0.62540564  0.88212631
   0.60027149  0.92375921  0.63954737
   0.82817070  0.87048475  0.76099073
   0.06859512  0.07153682  0.12879794
   0.32758164  0.19043278  0.28238031
   0.10111251  0.32604319  0.01717610
   0.34030509  0.43856769  0.34400941
   0.49678296  0.38036316  0.20461449
   0.23749546  0.39997675  0.17963063
   0.25494198  0.13771482  0.46049084
   0.02019006  0.13053244  0.39162836
   0.03708542  0.08581845  0.57086286
   0.45523775  0.27167862  0.76987853
   0.09155803  0.32219329  0.53138660
   0.36183653  0.48247146  0.84901757
   0.42369293  0.49007520  0.66090862
   0.20107287  0.38169223  0.70948624
   0.25928725  0.22020633 -0.11334278
   0.02442677  0.14522100  0.91619099
   0.05891079  0.56824796  0.08307499
   0.33892009  0.69098584  0.28204509
   0.09667750  0.83593353  0.03859229
   0.35776491  0.94110250  0.35131444
   0.40155185  0.89490335  0.15838954
   0.15828397  0.86605860  0.22526169
   0.32322305  0.64061991  0.46451555
   0.06189061  0.68870578  0.39789935
   0.13659666  0.57205504  0.58154924
   0.30521755  0.72499840  0.77494077
   0.12670853  0.83293609  0.53400750
   0.36406701  1.01904941  0.80334417
   0.43345351  0.90338628  0.63349870
   0.18241607  0.93340440  0.70127803
   0.26321157  0.66719266 -0.03366644
   0.00857643  0.66791481  0.91467795
   0.60010017  0.06025486  0.10634938
   0.81943142  0.21081801  0.26921806
   0.58744515  0.31073736  0.03927275
   0.97892716  0.44232357  0.37770878
   0.00630435  0.35396616  0.20115240
   0.73915644  0.45186448  0.17005618
   0.76563240  0.17164603  0.44928216
   0.51144675  0.14297828  0.41401916
   0.62978088  0.06834739  0.58382260
   0.80845689  0.21628607  0.79624830
   0.57423749  0.32616941  0.55328947
   0.86912660  0.46590235  0.85002278
   0.95224837  0.40251392  0.68096642
   0.69063037  0.43724881  0.69696428
   0.77620286  0.11768623  0.97548157
   0.51138843  0.11885927  0.92803761
   0.54814767  0.58414485  0.07856856
   0.84075738  0.68382881  0.29149584
   0.60534757  0.83310783  0.03289798
   0.82819068  0.94893420  0.35227425
   0.90621161  0.87910614  0.17808803
   0.65403656  0.84253047  0.22246324
   0.82413041  0.60522003  0.47541048
   0.56384488  0.56949908  0.38791553
   0.59383896  0.60075039  0.56801218
   0.81401292  0.71667600  0.78643239
   0.64257576  0.80907541  0.43043630
   0.89243931  0.95182467  0.84351943
   0.93241702  0.87431387  0.66515865
   0.66673109  0.92511548  0.74428527
   0.75553307  0.64759158  0.97199465
   0.50627715  0.68026828  0.89229595
   0.69595685  0.82004283  0.58846237
   0.61114540  0.88835321  0.47082014
   0.85813139  0.24635728  0.09010217
   1.02412871  0.41766716  0.32761011
   0.30565884  0.14930966  0.64446144
   0.22431284  0.78003760  0.76406016
  -0.01000168  1.13110927  0.11948208
   0.25377995  1.07877629  0.03296993
   0.63606934  0.38284744  0.86720240
   0.87234173  0.43707189  0.64903999
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.808307    0.578712   -0.061915
    -0.000000    9.880790    0.365732
    -0.000000    0.000000   13.944159
   Si   O    H 
    32    64    10
Direct configuration=   986
   0.16448154  0.17235855 -0.02401198
   0.36621904  0.09955343  0.38030335
   0.10534598  0.41277000  0.11127590
   0.35273996  0.34583463  0.25236321
   0.09344463  0.18080456  0.48669307
   0.40440033  0.15181839  0.84896833
   0.10056202  0.41979510  0.62194140
   0.35635920  0.40339989  0.74824956
   0.10797615  0.68275736  0.00636875
   0.40400105  0.58010139  0.37073552
   0.05675084  0.91360185  0.14252866
   0.31280090  0.85060619  0.26279058
   0.16803719  0.68611025  0.49307638
   0.34861069  0.63729140  0.87171702
   0.06712112  0.93246819  0.61711105
   0.32885751  1.00428196  0.69111772
   0.61919703  0.15403700  1.00767492
   0.86090724  0.11528364  0.36487454
   0.59092699  0.43332673  0.11989135
   0.84808181  0.31537922  0.18324485
   0.61861706  0.18197583  0.49931010
   0.87682801  0.10491652  0.88208335
   0.57314269  0.45686678  0.61752654
   0.75139748  0.36981169  0.80504987
   0.59504782  0.68678873 -0.00968329
   0.92070283  0.60853637  0.38078764
   0.56626194  0.90163378  0.13589438
   0.80513261  0.84906641  0.26727554
   0.65869092  0.64970536  0.46795970
   0.85446576  0.62457353  0.88214235
   0.59977954  0.92351710  0.64004204
   0.82807865  0.87240780  0.76061664
   0.06881534  0.06947256  0.12924008
   0.32944726  0.19093703  0.28360150
   0.10078839  0.32251218  0.01792542
   0.34156498  0.43971172  0.34529482
   0.49805603  0.37984984  0.20546300
   0.23897112  0.40049413  0.18011771
   0.25434047  0.13665064  0.46028482
   0.01855445  0.12923543  0.39218461
   0.03683941  0.08722439  0.57115804
   0.45435153  0.27168088  0.76948136
   0.09100172  0.32250331  0.53099459
   0.36384976  0.48277141  0.84897807
   0.42371614  0.49088256  0.66201959
   0.20105594  0.37958239  0.70979787
   0.25885220  0.21996210 -0.11301288
   0.02551383  0.14490725  0.91694270
   0.05906475  0.56693980  0.08466883
   0.33887648  0.69133270  0.28192908
   0.09679497  0.83579861  0.03857994
   0.35638603  0.94008393  0.35138522
   0.39918239  0.89390358  0.15799064
   0.15850594  0.86595123  0.22588635
   0.32358178  0.64219455  0.46396506
   0.06229341  0.68847122  0.39811557
   0.13754432  0.56965367  0.58098887
   0.30447472  0.72622514  0.77523245
   0.12679606  0.83173621  0.53553139
   0.36459841  1.01993182  0.80347235
   0.43432524  0.90470650  0.63406742
   0.18313744  0.93225751  0.70192904
   0.26422410  0.66818494 -0.03304948
   0.01050632  0.66936461  0.91610141
   0.59914014  0.06018859  0.10661992
   0.81936161  0.21008291  0.26904109
   0.58719831  0.31106072  0.03881164
   0.97928960  0.44245947  0.37746133
   0.00650228  0.35458989  0.20222626
   0.73857244  0.45145636  0.17041645
   0.76566877  0.17215111  0.44855525
   0.51397219  0.14304692  0.41297495
   0.63111699  0.06508915  0.58290233
   0.80748101  0.21792500  0.79614911
   0.57511990  0.32553623  0.55252162
   0.86886939  0.46664413  0.84980190
   0.95182845  0.40354035  0.67920820
   0.69012914  0.43676305  0.69780336
   0.77586929  0.11679971  0.97567417
   0.51014467  0.11921357  0.92765885
   0.54841610  0.58347475  0.07660035
   0.84017288  0.68447690  0.29054086
   0.60712913  0.83238084  0.03294368
   0.82892373  0.95033347  0.35202760
   0.90738140  0.87969695  0.17747066
   0.65537605  0.84189717  0.22358625
   0.82409690  0.60323680  0.47335198
   0.56532465  0.56817521  0.38733448
   0.59349551  0.60221461  0.56771314
   0.81325520  0.71711816  0.78557360
   0.64275403  0.80609899  0.43100637
   0.89228401  0.95338666  0.84350394
   0.93194910  0.87469287  0.66606923
   0.66650180  0.92524369  0.74513581
   0.75534859  0.64758198  0.97239861
   0.50416601  0.67885442  0.89352059
   0.70072418  0.82673132  0.59485993
   0.60771742  0.88809004  0.47229881
   0.86062543  0.24619762  0.09420900
   1.02258503  0.41416574  0.31329077
   0.30042744  0.14621501  0.64857115
   0.22440714  0.77615617  0.76506384
  -0.00955440  1.12765743  0.12649822
   0.25929184  1.07756232  0.04216282
   0.63499494  0.38074029  0.87051607
   0.87372070  0.43702621  0.64980348
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809560    0.576381   -0.062198
    -0.000000    9.880719    0.365812
    -0.000000    0.000000   13.942923
   Si   O    H 
    32    64    10
Direct configuration=   987
   0.16420724  0.17164727 -0.02403450
   0.36652337  0.10011969  0.38033216
   0.10504529  0.41287600  0.11111007
   0.35269516  0.34574044  0.25251166
   0.09407712  0.18102566  0.48682369
   0.40464985  0.15250931  0.84949622
   0.09935607  0.42146761  0.62143173
   0.35622387  0.40414384  0.74824099
   0.10680599  0.68298784  0.00701655
   0.40362878  0.57991081  0.37027656
   0.05764265  0.91370007  0.14278146
   0.31325502  0.84946094  0.26157608
   0.16738752  0.68679253  0.49270367
   0.34871898  0.63813480  0.87054597
   0.06673703  0.93179392  0.61777245
   0.32900161  1.00457199  0.69138999
   0.61933917  0.15317650  1.00716608
   0.86070908  0.11439439  0.36367792
   0.58929990  0.43255008  0.12030378
   0.84840679  0.31412478  0.18459388
   0.62044508  0.18135969  0.49944754
   0.87717797  0.10531156  0.88170070
   0.57362121  0.45486325  0.61792543
   0.75291639  0.37115108  0.80570889
   0.59434461  0.68530877 -0.00993040
   0.91971527  0.60922352  0.38068037
   0.56685851  0.90059567  0.13688824
   0.80430343  0.84809940  0.26746042
   0.65827580  0.65014713  0.46702775
   0.85360753  0.62360724  0.88221248
   0.60001468  0.92344230  0.64035643
   0.82783725  0.87388300  0.75997988
   0.07017771  0.06765329  0.13024714
   0.33143075  0.19120146  0.28526147
   0.10154288  0.31922504  0.01853150
   0.34187147  0.44069157  0.34623736
   0.49897799  0.38055585  0.20681330
   0.23975954  0.40125764  0.18064955
   0.25323532  0.13642663  0.46032699
   0.01761096  0.12803148  0.39249649
   0.03671403  0.08852964  0.57110995
   0.45401030  0.27121765  0.76877279
   0.09006951  0.32408011  0.53061815
   0.36610802  0.48203856  0.84896978
   0.42395347  0.49211166  0.66302631
   0.20034227  0.37737657  0.71029083
   0.25919061  0.22016726 -0.11229371
   0.02668451  0.14348972  0.91742025
   0.05916517  0.56634205  0.08650288
   0.33991052  0.69105770  0.28237398
   0.09709442  0.83634883  0.03917000
   0.35517232  0.93950015  0.35113627
   0.39698134  0.89306787  0.15830605
   0.15859134  0.86660114  0.22628408
   0.32411745  0.64403178  0.46345880
   0.06206622  0.68772723  0.39822779
   0.13817853  0.56656045  0.58039870
   0.30504437  0.72754550  0.77559018
   0.12677597  0.83098869  0.53722180
   0.36531185  1.02017374  0.80374694
   0.43593763  0.90548575  0.63414018
   0.18353140  0.93187967  0.70241277
   0.26541735  0.66819503 -0.03169885
   0.01220863  0.66987586  0.91731959
   0.59816246  0.06002111  0.10702908
   0.81906013  0.20910112  0.26899358
   0.58719883  0.31121850  0.03781101
   0.97848636  0.44279851  0.37684602
   0.00606238  0.35549180  0.20223372
   0.73767467  0.45050882  0.17114485
   0.76509041  0.17320219  0.44777307
   0.51621485  0.14313586  0.41243201
   0.63254466  0.06230862  0.58223986
   0.80654245  0.21859075  0.79577148
   0.57511831  0.32436444  0.55152364
   0.86715961  0.46790164  0.84968151
   0.95225242  0.40488217  0.67702177
   0.69022515  0.43664451  0.69883578
   0.77558361  0.11595257  0.97552095
   0.50971604  0.11926575  0.92747187
   0.54892939  0.58300143  0.07491066
   0.84034979  0.68397767  0.28977533
   0.60855760  0.83163778  0.03351014
   0.83007557  0.95159439  0.35192933
   0.90828831  0.88070119  0.17701158
   0.65703186  0.84148967  0.22493498
   0.82377656  0.60124047  0.47182995
   0.56712519  0.56723057  0.38680272
   0.59348697  0.60416443  0.56740366
   0.81293233  0.71686300  0.78522677
   0.64214782  0.80345759  0.43166006
   0.89267587  0.95532296  0.84372247
   0.93167711  0.87558246  0.66667346
   0.66602139  0.92552181  0.74589489
   0.75519655  0.64659076  0.97201746
   0.50213167  0.67766997  0.89447457
   0.70214762  0.83407587  0.59688298
   0.60863088  0.87746166  0.47001363
   0.86371605  0.24327274  0.09528164
   1.02043869  0.41440419  0.30422914
   0.29404078  0.13961890  0.65210819
   0.21459002  0.77727873  0.76506574
  -0.01414686  1.12969170  0.13445797
   0.25958072  1.07901769  0.04699246
   0.63351602  0.37889200  0.87126158
   0.86302227  0.44343693  0.64493163
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810511    0.574073   -0.062634
    -0.000000    9.880969    0.366097
    -0.000000    0.000000   13.942143
   Si   O    H 
    32    64    10
Direct configuration=   988
   0.16322348  0.17149442 -0.02442896
   0.36659794  0.10184917  0.38094114
   0.10447853  0.41312252  0.11048746
   0.35359747  0.34580615  0.25294422
   0.09543357  0.18114227  0.48735815
   0.40468770  0.15342325  0.84963817
   0.09817524  0.42289439  0.62124220
   0.35611423  0.40497541  0.74809934
   0.10563105  0.68353571  0.00744920
   0.40316412  0.58016677  0.37000906
   0.05781560  0.91367867  0.14317432
   0.31380927  0.84808595  0.26042608
   0.16679066  0.68694108  0.49238313
   0.34863791  0.63906943  0.86972071
   0.06659712  0.93152440  0.61852296
   0.32901765  1.00512010  0.69180934
   0.61982854  0.15286398  1.00674369
   0.86104674  0.11312910  0.36277379
   0.58829228  0.43159958  0.12051289
   0.84868940  0.31350028  0.18539535
   0.62196908  0.18063012  0.49936207
   0.87719889  0.10605758  0.88103602
   0.57374953  0.45324436  0.61844520
   0.75415727  0.37234064  0.80641100
   0.59348539  0.68397402 -0.01035420
   0.91913542  0.60920598  0.38052766
   0.56678464  0.89992558  0.13712736
   0.80441297  0.84700132  0.26801465
   0.65833176  0.65007173  0.46652693
   0.85388045  0.62266192  0.88260466
   0.60014470  0.92290046  0.64066510
   0.82755742  0.87571684  0.75939798
   0.07032955  0.06752524  0.13128440
   0.33399093  0.19168850  0.28720055
   0.10175265  0.31634487  0.01942392
   0.34196707  0.44166913  0.34740055
   0.50000524  0.38060149  0.20842586
   0.23983201  0.40257676  0.18063782
   0.25198711  0.13597698  0.46074047
   0.01637893  0.12710856  0.39256775
   0.03712825  0.08928536  0.57154474
   0.45403442  0.27061292  0.76853640
   0.08954579  0.32553737  0.53056390
   0.36843049  0.48144298  0.84912307
   0.42378405  0.49286853  0.66431211
   0.19994492  0.37566394  0.71128115
   0.25910869  0.21972892 -0.11151340
   0.02759448  0.14206756  0.91774875
   0.05899118  0.56609377  0.08766054
   0.34217976  0.69052155  0.28318224
   0.09766630  0.83646061  0.03985907
   0.35352450  0.93856157  0.35057756
   0.39566945  0.89203897  0.15825222
   0.15916484  0.86714696  0.22726557
   0.32450889  0.64564047  0.46379110
   0.06164833  0.68677596  0.39829835
   0.13740662  0.56447720  0.57984124
   0.30548799  0.72885393  0.77557783
   0.12758356  0.83048308  0.53899283
   0.36591376  1.02030714  0.80382361
   0.43723127  0.90642585  0.63406517
   0.18374692  0.93106207  0.70290586
   0.26666144  0.66737547 -0.03065237
   0.01387624  0.66931346  0.91810844
   0.59737444  0.06034652  0.10703906
   0.81700830  0.20739336  0.26901856
   0.58779815  0.31115463  0.03672047
   0.97776728  0.44259031  0.37574945
   0.00587157  0.35635383  0.20227227
   0.73703590  0.44931802  0.17152753
   0.76500521  0.17429164  0.44628013
   0.51799821  0.14255440  0.41262746
   0.63424445  0.06121611  0.58123814
   0.80716325  0.21869460  0.79535958
   0.57572038  0.32218501  0.55077662
   0.86588288  0.46915637  0.84941698
   0.95239956  0.40679266  0.67485568
   0.69047429  0.43742053  0.69972148
   0.77550426  0.11449732  0.97542544
   0.51107201  0.11913903  0.92770690
   0.54908707  0.58315115  0.07371802
   0.84030515  0.68312941  0.28909661
   0.60947797  0.83222398  0.03423551
   0.83071716  0.95298709  0.35211327
   0.90866837  0.88125616  0.17686751
   0.65771111  0.84182192  0.22630531
   0.82257127  0.59960518  0.47096721
   0.56878443  0.56577451  0.38718174
   0.59354081  0.60625774  0.56702317
   0.81290371  0.71643018  0.78528913
   0.64195587  0.80062901  0.43263978
   0.89334489  0.95642390  0.84421597
   0.93120065  0.87662019  0.66676540
   0.66528598  0.92620741  0.74687486
   0.75518323  0.64571506  0.97206641
   0.50135510  0.67772556  0.89630406
   0.70433892  0.83860275  0.59521115
   0.60775295  0.86959562  0.46658124
   0.86679093  0.23900564  0.09401190
   1.00960944  0.41632990  0.30458328
   0.29267274  0.13518278  0.65253798
   0.21220506  0.77533489  0.76662115
  -0.01684658  1.12696316  0.14075877
   0.25614280  1.08058907  0.04843722
   0.63484159  0.37389114  0.86965689
   0.86288721  0.44659196  0.64398716
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811340    0.571727   -0.063181
    -0.000000    9.880713    0.366613
    -0.000000    0.000000   13.941595
   Si   O    H 
    32    64    10
Direct configuration=   989
   0.16295669  0.17142364 -0.02481749
   0.36656853  0.10307624  0.38172190
   0.10329055  0.41347493  0.10982276
   0.35357051  0.34558231  0.25331762
   0.09707970  0.18102183  0.48780863
   0.40452968  0.15473328  0.84967829
   0.09678981  0.42374626  0.62130078
   0.35552844  0.40557123  0.74843263
   0.10508227  0.68365069  0.00809945
   0.40284976  0.58110595  0.36993843
   0.05752597  0.91361603  0.14323826
   0.31472543  0.84664042  0.25944524
   0.16547413  0.68609266  0.49233263
   0.34847467  0.64000205  0.86867135
   0.06638932  0.93073850  0.61869257
   0.32888577  1.00570764  0.69244278
   0.62042383  0.15257248  1.00608834
   0.86111202  0.11218091  0.36145994
   0.58818174  0.43029773  0.12071184
   0.84854618  0.31296033  0.18636341
   0.62307986  0.17995656  0.49883064
   0.87705592  0.10724773  0.88083148
   0.57416413  0.45208757  0.61903804
   0.75562449  0.37336997  0.80663111
   0.59235938  0.68221468 -0.01101701
   0.91901347  0.60874940  0.38026667
   0.56672177  0.90031948  0.13702125
   0.80521220  0.84609783  0.26856693
   0.65807413  0.64964025  0.46607288
   0.85481322  0.62166311  0.88310968
   0.60008641  0.92214748  0.64138773
   0.82701418  0.87768347  0.75877749
   0.07068569  0.06825506  0.13173152
   0.33590139  0.19272380  0.28896255
   0.10140219  0.31277685  0.02035066
   0.34229719  0.44178724  0.34857565
   0.50098122  0.38093133  0.20955953
   0.23962298  0.40441816  0.17958648
   0.25132976  0.13566136  0.46100680
   0.01422024  0.12569628  0.39264887
   0.03761063  0.08951494  0.57226616
   0.45445271  0.26857477  0.76883589
   0.08911062  0.32719692  0.53076998
   0.37043545  0.48151178  0.84888694
   0.42333565  0.49353895  0.66565221
   0.19937021  0.37405359  0.71193847
   0.25821970  0.21944201 -0.11059382
   0.02778428  0.14004798  0.91822890
   0.05893878  0.56651593  0.08912720
   0.34467311  0.69039335  0.28378370
   0.09821578  0.83624542  0.04095614
   0.35162049  0.93778724  0.35034749
   0.39501957  0.89131064  0.15850203
   0.15955329  0.86696611  0.22833874
   0.32563490  0.64652807  0.46391792
   0.05990176  0.68605429  0.39834190
   0.13727680  0.56340930  0.57890489
   0.30549443  0.73012763  0.77582632
   0.12951509  0.82947398  0.54055690
   0.36689508  1.02012288  0.80363377
   0.43829361  0.90761852  0.63415051
   0.18436230  0.93042930  0.70303344
   0.26674162  0.66762226 -0.03000648
   0.01405610  0.66905389  0.91756365
   0.59731383  0.06032117  0.10735187
   0.81487337  0.20561158  0.26922424
   0.58724979  0.31146892  0.03557586
   0.97699111  0.44273586  0.37463232
   0.00496554  0.35620364  0.20217417
   0.73610298  0.44754289  0.17226159
   0.76638451  0.17643941  0.44481387
   0.51874528  0.14180603  0.41258309
   0.63622712  0.06037884  0.58047792
   0.80764962  0.21870804  0.79545958
   0.57661891  0.31936728  0.54988791
   0.86443270  0.47019998  0.84941980
   0.95217310  0.40894439  0.67252798
   0.69063253  0.43716355  0.70058689
   0.77553040  0.11273991  0.97551402
   0.51322571  0.11914260  0.92788524
   0.55018336  0.58348644  0.07251728
   0.84064108  0.68255198  0.28798400
   0.61017275  0.83172304  0.03537702
   0.83156801  0.95542066  0.35199227
   0.90961478  0.88177834  0.17648827
   0.65869971  0.84196237  0.22773986
   0.82044670  0.59823012  0.47036349
   0.57017067  0.56462508  0.38796519
   0.59325667  0.60725906  0.56615615
   0.81286916  0.71568405  0.78563222
   0.64211107  0.79769740  0.43307035
   0.89370339  0.95759729  0.84494624
   0.93044662  0.87725471  0.66729701
   0.66427025  0.92802393  0.74756757
   0.75609748  0.64448238  0.97149430
   0.50111838  0.67716242  0.89801858
   0.70113060  0.83962457  0.59268891
   0.60015212  0.87554570  0.47156158
   0.86725080  0.23510953  0.09303142
   0.99402938  0.42246105  0.31080453
   0.29185926  0.13340827  0.64831959
   0.21431022  0.77309708  0.76915612
  -0.00992097  1.12111576  0.14530086
   0.24945933  1.08667186  0.04660938
   0.63649337  0.37053247  0.86760495
   0.87014317  0.44816603  0.64582790
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811887    0.569495   -0.063622
    -0.000000    9.880815    0.367338
    -0.000000    0.000000   13.942022
   Si   O    H 
    32    64    10
Direct configuration=   990
   0.16325100  0.17126900 -0.02516397
   0.36654927  0.10352991  0.38263703
   0.10199973  0.41342114  0.10886523
   0.35337411  0.34673067  0.25349695
   0.09835908  0.18100941  0.48793624
   0.40404956  0.15630986  0.84969314
   0.09591285  0.42483609  0.62173476
   0.35497831  0.40616894  0.74906386
   0.10508065  0.68410327  0.00840144
   0.40254713  0.58227722  0.36997366
   0.05794521  0.91325324  0.14357735
   0.31643136  0.84533512  0.25865172
   0.16356017  0.68454967  0.49269856
   0.34853579  0.64124810  0.86755030
   0.06642011  0.93029600  0.61919115
   0.32864761  1.00576608  0.69327363
   0.62131137  0.15226366  1.00588472
   0.86154498  0.11133901  0.36037200
   0.58797529  0.42913365  0.12090295
   0.84867194  0.31259928  0.18704557
   0.62475550  0.17891910  0.49847081
   0.87661098  0.10797668  0.88127546
   0.57430250  0.45130930  0.61932854
   0.75690936  0.37433252  0.80668605
   0.59155834  0.68075928 -0.01164002
   0.91884334  0.60822916  0.37968536
   0.56618298  0.90124985  0.13640270
   0.80632324  0.84539505  0.26921710
   0.65745265  0.64844219  0.46537326
   0.85610352  0.62061845  0.88335024
   0.59951445  0.92172456  0.64179730
   0.82674784  0.87916456  0.75866259
   0.07152921  0.07015891  0.13186249
   0.33829964  0.19378371  0.28991962
   0.10102165  0.30984610  0.02148616
   0.34237767  0.44079557  0.34960184
   0.50174310  0.38217922  0.21063012
   0.23931414  0.40563809  0.17833729
   0.25121496  0.13591014  0.46140554
   0.01257596  0.12521027  0.39275440
   0.03833881  0.08819274  0.57366832
   0.45508262  0.26648250  0.76892163
   0.08787794  0.32989303  0.53095071
   0.37228648  0.48187431  0.84908150
   0.42363986  0.49270097  0.66706263
   0.19854008  0.37236136  0.71286085
   0.25768869  0.21925296 -0.10986437
   0.02765199  0.13813834  0.91835398
   0.05956641  0.56791089  0.09025427
   0.34648574  0.69110046  0.28407869
   0.09903113  0.83612514  0.04223154
   0.34965288  0.93699634  0.35083158
   0.39479495  0.89104211  0.15846743
   0.15918752  0.86703938  0.22906049
   0.32575723  0.64822599  0.46397872
   0.05809134  0.68492076  0.39925247
   0.13735043  0.56436674  0.57819382
   0.30536073  0.73121260  0.77583993
   0.13122294  0.82785642  0.54169414
   0.36820231  1.01918149  0.80390998
   0.43946332  0.90847817  0.63466760
   0.18409510  0.92931435  0.70303264
   0.26633465  0.66853056 -0.02909847
   0.01337604  0.66892136  0.91674289
   0.59745375  0.05991888  0.10790034
   0.81231980  0.20438433  0.26926803
   0.58689927  0.31243810  0.03467091
   0.97596954  0.44355251  0.37384817
   0.00354312  0.35602169  0.20157369
   0.73573708  0.44549971  0.17321764
   0.76776692  0.17859767  0.44362449
   0.51902659  0.14075585  0.41192427
   0.63842540  0.05972951  0.57978975
   0.80806609  0.21832743  0.79546249
   0.57815751  0.31716865  0.54942864
   0.86247577  0.47063940  0.84999823
   0.95299298  0.41058548  0.66995932
   0.69070603  0.43655329  0.70154627
   0.77543715  0.11092402  0.97576094
   0.51536021  0.11883499  0.92860343
   0.55111715  0.58275350  0.07154735
   0.84086712  0.68275099  0.28707651
   0.61102368  0.83163211  0.03628419
   0.83134561  0.95603537  0.35194983
   0.90973259  0.88191936  0.17643070
   0.65852208  0.84268479  0.22843940
   0.81776179  0.59664453  0.47012551
   0.57075283  0.56422856  0.38847974
   0.59382231  0.60732051  0.56565185
   0.81393494  0.71549183  0.78586678
   0.64222616  0.79627922  0.43401537
   0.89364334  0.95814993  0.84509811
   0.92977819  0.87770216  0.66708930
   0.66287183  0.93020423  0.74812943
   0.75670638  0.64344944  0.97185780
   0.50066169  0.67746452  0.89940080
   0.69807988  0.83693511  0.59121470
   0.59748428  0.87062712  0.47180469
   0.86783955  0.23525476  0.09354138
   0.98514818  0.42419678  0.31003129
   0.29505511  0.13689461  0.64343418
   0.21746339  0.77568973  0.77175416
  -0.00854481  1.11796805  0.15071578
   0.24580094  1.09470633  0.04321812
   0.63802949  0.36759650  0.86460871
   0.87458803  0.45309569  0.64698520
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812251    0.567374   -0.064443
    -0.000000    9.881029    0.368156
    -0.000000    0.000000   13.942449
   Si   O    H 
    32    64    10
Direct configuration=   991
   0.16328402  0.17076423 -0.02574752
   0.36646980  0.10383226  0.38373879
   0.10147865  0.41279528  0.10813770
   0.35323434  0.34810057  0.25342278
   0.09910329  0.18084785  0.48839888
   0.40338505  0.15846219  0.84979823
   0.09495223  0.42459457  0.62205749
   0.35482728  0.40613524  0.74977072
   0.10498486  0.68457017  0.00886329
   0.40190431  0.58337394  0.37048970
   0.05827260  0.91301372  0.14395061
   0.31821573  0.84493590  0.25744383
   0.16206585  0.68371168  0.49275562
   0.34905460  0.64241375  0.86628551
   0.06655425  0.93029074  0.61938988
   0.32819341  1.00591449  0.69372937
   0.62226030  0.15159780  1.00638991
   0.86203721  0.11065694  0.35957509
   0.58786410  0.42875630  0.12069225
   0.84853092  0.31244718  0.18739991
   0.62633736  0.17789506  0.49786590
   0.87640542  0.10890849  0.88221789
   0.57449534  0.45091511  0.61954831
   0.75747154  0.37500516  0.80666911
   0.59156758  0.67993642 -0.01193205
   0.91886485  0.60760156  0.37946202
   0.56502273  0.90276942  0.13561832
   0.80817382  0.84470295  0.26995689
   0.65695282  0.64677421  0.46491856
   0.85712698  0.61985433  0.88372980
   0.59906743  0.92155801  0.64228541
   0.82656208  0.88051104  0.75835164
   0.07221034  0.07267679  0.13135600
   0.33990326  0.19562371  0.29036628
   0.10071259  0.30817792  0.02288171
   0.34186342  0.43930734  0.35090874
   0.50236774  0.38284730  0.21181737
   0.23944102  0.40719021  0.17655043
   0.25108928  0.13577335  0.46147043
   0.01269683  0.12559366  0.39300860
   0.03842242  0.08723724  0.57565865
   0.45538570  0.26545932  0.76878343
   0.08706333  0.33210370  0.53114870
   0.37421439  0.48255791  0.84884109
   0.42430706  0.49162834  0.66779791
   0.19849587  0.37046769  0.71423136
   0.25793161  0.21873037 -0.11000201
   0.02785702  0.13559428  0.91870688
   0.06009327  0.56881847  0.09170183
   0.34776642  0.69220876  0.28435341
   0.09934363  0.83693334  0.04335442
   0.34864260  0.93585425  0.35086258
   0.39620673  0.89074912  0.15820537
   0.15826742  0.86752956  0.23011610
   0.32556193  0.65000742  0.46360370
   0.05604524  0.68396561  0.40055857
   0.13720243  0.56661761  0.57724419
   0.30526132  0.73203216  0.77567300
   0.13291846  0.82580597  0.54283417
   0.36859747  1.01818694  0.80405759
   0.43933765  0.90917022  0.63551355
   0.18434153  0.92754635  0.70265504
   0.26529041  0.66940329 -0.02854716
   0.01216641  0.66843763  0.91568241
   0.59695857  0.05925843  0.10899708
   0.81010677  0.20354340  0.26909506
   0.58716303  0.31325912  0.03428668
   0.97403616  0.44455091  0.37297545
   0.00219197  0.35608358  0.20076686
   0.73574299  0.44398183  0.17476659
   0.76938594  0.17963699  0.44223323
   0.51945990  0.13928258  0.41130831
   0.64005439  0.05947436  0.57885848
   0.80993906  0.21788040  0.79537850
   0.57881941  0.31630747  0.54912056
   0.86115334  0.47123815  0.85096148
   0.95315099  0.41193949  0.66810230
   0.69137162  0.43594135  0.70202025
   0.77562631  0.10936101  0.97566822
   0.51628165  0.11871374  0.92858421
   0.55111177  0.58119032  0.07176125
   0.84156905  0.68244236  0.28667718
   0.61107863  0.83154987  0.03707855
   0.83042075  0.95633384  0.35183254
   0.90925124  0.88187952  0.17663696
   0.65813383  0.84417342  0.22913224
   0.81492616  0.59514314  0.46956457
   0.57045334  0.56470319  0.38883526
   0.59421117  0.60609061  0.56529524
   0.81559733  0.71528305  0.78596848
   0.64163231  0.79609682  0.43437919
   0.89353525  0.95845532  0.84483280
   0.92905739  0.87879464  0.66682460
   0.66264639  0.93298002  0.74838408
   0.75746111  0.64261779  0.97203036
   0.50046747  0.67770172  0.90017829
   0.69327573  0.83052842  0.59016687
   0.59647668  0.86475440  0.46940475
   0.86891392  0.23436716  0.09847675
   0.97953788  0.42043427  0.30043427
   0.29989473  0.13800240  0.63778077
   0.21640677  0.78199308  0.77095342
  -0.01601690  1.12259621  0.15493613
   0.24565823  1.09609477  0.03972154
   0.64138172  0.36594778  0.86355431
   0.86644310  0.46563550  0.64332149
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813128    0.565867   -0.065262
    -0.000000    9.881354    0.367969
    -0.000000    0.000000   13.942881
   Si   O    H 
    32    64    10
Direct configuration=   992
   0.16384218  0.17053753 -0.02607506
   0.36553208  0.10313162  0.38499897
   0.10100158  0.41233838  0.10798126
   0.35334482  0.34926510  0.25356819
   0.09982864  0.18038599  0.48909001
   0.40298585  0.16015067  0.85005463
   0.09409673  0.42459203  0.62233529
   0.35524953  0.40616623  0.75042294
   0.10539713  0.68592847  0.00888384
   0.40176474  0.58442250  0.37094306
   0.05835376  0.91237340  0.14432157
   0.31982429  0.84536571  0.25622738
   0.16088528  0.68240110  0.49284111
   0.34995350  0.64322166  0.86521089
   0.06654595  0.93044560  0.61934517
   0.32815771  1.00558361  0.69401470
   0.62339227  0.15078001  1.00672907
   0.86233899  0.11028723  0.35900523
   0.58808797  0.42861578  0.12026259
   0.84757315  0.31266182  0.18734283
   0.62746971  0.17683955  0.49711474
   0.87608210  0.10943630  0.88277761
   0.57464902  0.45051671  0.62013163
   0.75784214  0.37534423  0.80639296
   0.59189384  0.67930287 -0.01227627
   0.91860171  0.60598731  0.37917610
   0.56392752  0.90410622  0.13483302
   0.80986689  0.84360909  0.27085201
   0.65691481  0.64454471  0.46395996
   0.85863013  0.61974357  0.88423438
   0.59931362  0.92173515  0.64237305
   0.82618780  0.88121087  0.75776263
   0.07184711  0.07500949  0.13105237
   0.34170217  0.19781218  0.29041513
   0.10065449  0.30758921  0.02425899
   0.34146420  0.43756993  0.35187484
   0.50273029  0.38315883  0.21292618
   0.23957915  0.40870355  0.17487918
   0.25088554  0.13566806  0.46106452
   0.01326742  0.12547323  0.39332437
   0.03865113  0.08580484  0.57781130
   0.45529662  0.26474733  0.76877815
   0.08654762  0.33431728  0.53058827
   0.37577918  0.48226654  0.84865317
   0.42567340  0.48982773  0.66825079
   0.19912240  0.36904770  0.71542311
   0.25827712  0.21769857 -0.11037408
   0.02754559  0.13280332  0.91885681
   0.06029610  0.57054716  0.09249323
   0.34974487  0.69241759  0.28533717
   0.10028675  0.83680398  0.04473148
   0.34756895  0.93489697  0.35049826
   0.39791143  0.89043584  0.15786586
   0.15741332  0.86659103  0.23167756
   0.32430741  0.65226828  0.46360588
   0.05466484  0.68296026  0.40147377
   0.13730355  0.56819497  0.57577358
   0.30556180  0.73264776  0.77555286
   0.13458281  0.82422749  0.54378719
   0.36912515  1.01723493  0.80377688
   0.43893614  0.90899989  0.63631241
   0.18543822  0.92705841  0.70171905
   0.26320092  0.67037028 -0.02833121
   0.01051689  0.66750254  0.91402942
   0.59662378  0.05912744  0.10980188
   0.80731189  0.20282228  0.26885801
   0.58730322  0.31390536  0.03362626
   0.97200992  0.44464604  0.37147441
   0.00130364  0.35748079  0.20017960
   0.73618300  0.44126173  0.17641045
   0.77057484  0.18008274  0.44138146
   0.52070181  0.13820551  0.41065271
   0.64157163  0.05886627  0.57784253
   0.81257140  0.21695740  0.79611743
   0.57906616  0.31583515  0.54914320
   0.86003108  0.47109345  0.85180294
   0.95276687  0.41427389  0.66700620
   0.69206029  0.43552556  0.70201724
   0.77684117  0.10837944  0.97563937
   0.51617970  0.11887020  0.92884884
   0.55069452  0.57930871  0.07276261
   0.84277209  0.68204659  0.28642651
   0.61041862  0.83068551  0.03765232
   0.83011131  0.95610541  0.35250668
   0.90858354  0.88185538  0.17686578
   0.65694497  0.84555563  0.22960601
   0.81228177  0.59454005  0.46925402
   0.56905106  0.56629741  0.38920454
   0.59434105  0.60426023  0.56585053
   0.81662558  0.71528353  0.78623739
   0.64078646  0.79648936  0.43381025
   0.89381415  0.95866098  0.84457470
   0.92846859  0.87977549  0.66609087
   0.66296033  0.93505844  0.74933698
   0.75767915  0.64123896  0.97207003
   0.50074764  0.67788272  0.90058295
   0.68443601  0.82593770  0.58772734
   0.59574981  0.86148561  0.47041392
   0.86846769  0.23254134  0.10518750
   0.97563866  0.41681418  0.29919959
   0.30367993  0.13400092  0.63333121
   0.21592920  0.79223406  0.76900878
  -0.01345455  1.12187640  0.15607852
   0.24648173  1.09343303  0.03921117
   0.64141230  0.36303220  0.86596432
   0.87017736  0.47108781  0.64393661
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814749    0.563638   -0.065259
    -0.000000    9.881919    0.367542
    -0.000000    0.000000   13.943575
   Si   O    H 
    32    64    10
Direct configuration=   993
   0.16384222  0.16999160 -0.02649607
   0.36514908  0.10307662  0.38611988
   0.10042585  0.41200509  0.10795175
   0.35298926  0.35077915  0.25382407
   0.10020985  0.18043448  0.49017195
   0.40247631  0.16164615  0.85012478
   0.09401183  0.42502469  0.62296566
   0.35518829  0.40587293  0.75152859
   0.10581728  0.68650669  0.00881423
   0.40138970  0.58537845  0.37112211
   0.05863698  0.91189760  0.14394328
   0.32115753  0.84585626  0.25503988
   0.16001904  0.68126843  0.49299697
   0.35081217  0.64419319  0.86417111
   0.06631603  0.93041931  0.61918792
   0.32825867  1.00527119  0.69492279
   0.62447768  0.15055695  1.00762091
   0.86303799  0.10985629  0.35897690
   0.58764411  0.42771185  0.11963099
   0.84577343  0.31322178  0.18686385
   0.62850927  0.17602539  0.49612714
   0.87600758  0.10952161  0.88321959
   0.57479020  0.45059239  0.62074803
   0.75813422  0.37454397  0.80607142
   0.59295208  0.67936573 -0.01229597
   0.91851145  0.60432759  0.37920199
   0.56299061  0.90587172  0.13413504
   0.81162503  0.84324204  0.27143673
   0.65703514  0.64226943  0.46312306
   0.85981276  0.62018361  0.88483257
   0.59978252  0.92228395  0.64256495
   0.82582205  0.88163635  0.75734934
   0.07211002  0.07720068  0.13039719
   0.34364366  0.19979335  0.29026659
   0.09969594  0.30756399  0.02587523
   0.34168576  0.43548873  0.35256801
   0.50290822  0.38319264  0.21409047
   0.23922950  0.40960913  0.17351115
   0.25138400  0.13562623  0.46098068
   0.01521765  0.12552407  0.39381585
   0.03840165  0.08512061  0.57977477
   0.45521147  0.26411220  0.76825777
   0.08641409  0.33575793  0.53001582
   0.37677640  0.48255674  0.84829023
   0.42809493  0.48754806  0.66844565
   0.19967171  0.36827947  0.71656238
   0.25966356  0.21685698 -0.11076094
   0.02735461  0.12956211  0.91885532
   0.06015285  0.57232544  0.09319202
   0.35129846  0.69208581  0.28673941
   0.10167272  0.83664404  0.04625673
   0.34636096  0.93384171  0.35037530
   0.39989452  0.89001507  0.15725496
   0.15706705  0.86596028  0.23300946
   0.32334060  0.65449402  0.46353606
   0.05410935  0.68219517  0.40223620
   0.13780926  0.56958718  0.57491956
   0.30523471  0.73397041  0.77551083
   0.13547221  0.82303161  0.54436754
   0.36916828  1.01575123  0.80342538
   0.43800654  0.90900506  0.63673299
   0.18723048  0.92666345  0.70047953
   0.26158188  0.67099565 -0.02814697
   0.00853862  0.66719629  0.91290013
   0.59627482  0.05962057  0.11003265
   0.80483030  0.20234515  0.26837251
   0.58825888  0.31368309  0.03302428
   0.97064677  0.44523490  0.36919505
  -0.00020610  0.35972084  0.20005014
   0.73678133  0.43883523  0.17720213
   0.77052012  0.18077251  0.44070346
   0.52199477  0.13617254  0.41090752
   0.64229187  0.05786388  0.57714156
   0.81554881  0.21596252  0.79667635
   0.57816688  0.31654298  0.54946665
   0.85902089  0.47140615  0.85278891
   0.95032816  0.41707371  0.66635162
   0.69266075  0.43509610  0.70158107
   0.77776783  0.10688826  0.97580400
   0.51689594  0.11866853  0.92892510
   0.55011571  0.57654686  0.07438847
   0.84388642  0.68148140  0.28728612
   0.61057889  0.82978067  0.03831666
   0.82939923  0.95501910  0.35294943
   0.90686028  0.88202077  0.17690991
   0.65547260  0.84745227  0.22995946
   0.81038001  0.59362061  0.46928682
   0.56732894  0.56756145  0.38891780
   0.59508120  0.60222965  0.56658926
   0.81709658  0.71550472  0.78691260
   0.64062328  0.79668439  0.43286744
   0.89454258  0.95860576  0.84366152
   0.92821413  0.88076879  0.66578341
   0.66313851  0.93686765  0.75023941
   0.75759353  0.63915196  0.97172858
   0.50004268  0.67757217  0.90016826
   0.67379430  0.82285531  0.58896539
   0.59006727  0.86428009  0.47640420
   0.86502910  0.23036591  0.10913922
   0.97265990  0.41570086  0.30481945
   0.30979638  0.12963984  0.62933377
   0.22508993  0.79638804  0.76562947
  -0.00689970  1.11752116  0.15380631
   0.24724228  1.08690263  0.03963055
   0.64117540  0.36118248  0.86936668
   0.87791342  0.46831235  0.64707290
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816354    0.560699   -0.065047
    -0.000000    9.882475    0.367102
    -0.000000    0.000000   13.944132
   Si   O    H 
    32    64    10
Direct configuration=   994
   0.16314480  0.16925583 -0.02671083
   0.36466288  0.10247703  0.38704358
   0.09989033  0.41129070  0.10846266
   0.35276598  0.35257047  0.25402300
   0.09981189  0.18004056  0.49133470
   0.40212861  0.16311457  0.85041025
   0.09416490  0.42581618  0.62324043
   0.35527023  0.40558943  0.75206170
   0.10573479  0.68660030  0.00867606
   0.40111738  0.58591640  0.37156985
   0.05843559  0.91099084  0.14441036
   0.32179300  0.84673865  0.25413099
   0.15942527  0.68024151  0.49318845
   0.35167401  0.64498702  0.86360442
   0.06663448  0.93045644  0.61814820
   0.32860067  1.00503747  0.69515537
   0.62559294  0.15060346  1.00879808
   0.86306618  0.11026814  0.35907483
   0.58797625  0.42622622  0.11897346
   0.84408275  0.31364031  0.18639897
   0.63014320  0.17566549  0.49519981
   0.87623681  0.10992899  0.88364688
   0.57393705  0.45074544  0.62160163
   0.75813040  0.37419732  0.80569775
   0.59388169  0.67972981 -0.01197654
   0.91861165  0.60296241  0.37948108
   0.56224386  0.90698894  0.13318336
   0.81328883  0.84334447  0.27172320
   0.65638643  0.63967443  0.46270209
   0.86124118  0.62077991  0.88511449
   0.60082926  0.92271699  0.64272323
   0.82509865  0.88178983  0.75709018
   0.07340841  0.07922871  0.12966094
   0.34484342  0.20102302  0.29026164
   0.09930982  0.30800769  0.02665568
   0.34101994  0.43417691  0.35315817
   0.50312426  0.38276407  0.21437852
   0.23863652  0.41022255  0.17270221
   0.25164252  0.13577127  0.46137423
   0.01764064  0.12596204  0.39462089
   0.03800390  0.08409786  0.58116026
   0.45524674  0.26338584  0.76757153
   0.08665884  0.33535266  0.52925799
   0.37702046  0.48304398  0.84823387
   0.42991673  0.48570152  0.66804673
   0.20019561  0.36805051  0.71760783
   0.26150798  0.21696612 -0.11068124
   0.02727091  0.12680176  0.91844056
   0.06052992  0.57455472  0.09316700
   0.35374511  0.69167346  0.28806007
   0.10277793  0.83708138  0.04730796
   0.34549597  0.93392863  0.34974589
   0.40203376  0.88951940  0.15592073
   0.15702203  0.86534530  0.23442485
   0.32233038  0.65694886  0.46342511
   0.05345600  0.68165968  0.40281305
   0.13760717  0.57016546  0.57479083
   0.30523793  0.73455548  0.77544796
   0.13628243  0.82155636  0.54498233
   0.36924042  1.01500054  0.80369176
   0.43679905  0.90850893  0.63662279
   0.18830364  0.92659929  0.69905249
   0.25951554  0.67166925 -0.02879400
   0.00683547  0.66681832  0.91203033
   0.59621162  0.06063612  0.11016998
   0.80204678  0.20147655  0.26762679
   0.58899750  0.31321094  0.03254561
   0.96926458  0.44621222  0.36711140
  -0.00195304  0.36142487  0.19947549
   0.73761443  0.43781696  0.17760479
   0.77059283  0.18083341  0.43970542
   0.52329376  0.13433076  0.41171364
   0.64297381  0.05628802  0.57683428
   0.81818428  0.21418125  0.79765092
   0.57731556  0.31785863  0.54986690
   0.85767842  0.47098529  0.85372815
   0.94911583  0.41918910  0.66606851
   0.69400184  0.43507390  0.70131827
   0.77909495  0.10563206  0.97605609
   0.51799759  0.11731068  0.92831189
   0.54950859  0.57411175  0.07543895
   0.84519733  0.68149788  0.28825344
   0.61060686  0.82849273  0.03876386
   0.82917023  0.95324566  0.35316917
   0.90559852  0.88175904  0.17766135
   0.65461173  0.84995386  0.23059833
   0.80941832  0.59272696  0.46871788
   0.56554973  0.56795274  0.38828992
   0.59608526  0.59984686  0.56782278
   0.81741168  0.71529292  0.78828187
   0.64032919  0.79810690  0.43243623
   0.89514449  0.95851759  0.84324357
   0.92753051  0.88225169  0.66544475
   0.66385801  0.93835912  0.75149364
   0.75686459  0.63783927  0.97205002
   0.49899988  0.67795011  0.89916586
   0.66718667  0.81699900  0.58982384
   0.59220140  0.86148650  0.47836620
   0.86306621  0.22536954  0.10798034
   0.97612273  0.41490208  0.30662177
   0.31542958  0.12930621  0.62759716
   0.23616168  0.80079032  0.76147653
  -0.01399265  1.12012318  0.15126228
   0.24928811  1.08097450  0.03768347
   0.64068728  0.36316889  0.87197331
   0.86567406  0.47618017  0.64422446
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818375    0.557749   -0.064880
    -0.000000    9.883262    0.366925
    -0.000000    0.000000   13.944914
   Si   O    H 
    32    64    10
Direct configuration=   995
   0.16292012  0.16855849 -0.02690750
   0.36493054  0.10143144  0.38790317
   0.09978013  0.41071036  0.10956016
   0.35231463  0.35406523  0.25382468
   0.09896177  0.17947376  0.49224980
   0.40176153  0.16385229  0.85031013
   0.09505580  0.42586806  0.62378326
   0.35492109  0.40516563  0.75210486
   0.10588330  0.68631726  0.00854128
   0.40117975  0.58660369  0.37240472
   0.05897684  0.91011015  0.14485727
   0.32212366  0.84770039  0.25351977
   0.15861418  0.67954885  0.49352512
   0.35215714  0.64543150  0.86341080
   0.06687666  0.93031395  0.61712746
   0.32914746  1.00519709  0.69500281
   0.62592123  0.15038670  1.01000487
   0.86271941  0.11032164  0.35916143
   0.58834240  0.42481180  0.11845237
   0.84270169  0.31410093  0.18608748
   0.63100280  0.17564322  0.49431676
   0.87716725  0.10938988  0.88462804
   0.57332427  0.45092151  0.62241333
   0.75771102  0.37401201  0.80481562
   0.59484803  0.68001427 -0.01161454
   0.91845269  0.60184447  0.37957674
   0.56224687  0.90737041  0.13237604
   0.81511116  0.84351595  0.27218139
   0.65542929  0.63713311  0.46266396
   0.86234951  0.62184231  0.88516291
   0.60143034  0.92321442  0.64234032
   0.82377557  0.88208921  0.75745962
   0.07564612  0.08023957  0.12935709
   0.34614758  0.20130649  0.29008400
   0.09926248  0.30818791  0.02670971
   0.34045693  0.43366760  0.35377338
   0.50402101  0.38283764  0.21462187
   0.23966486  0.40997944  0.17171412
   0.25150469  0.13589129  0.46176105
   0.02069527  0.12696424  0.39490808
   0.03794913  0.08352700  0.58181164
   0.45537791  0.26256889  0.76661191
   0.08767049  0.33522662  0.52819164
   0.37702671  0.48359591  0.84859336
   0.43219419  0.48349742  0.66711823
   0.20162246  0.36789227  0.71813765
   0.26344208  0.21731351 -0.11026049
   0.02671872  0.12371518  0.91766724
   0.06085057  0.57663992  0.09293551
   0.35598444  0.69175336  0.28891150
   0.10336103  0.83747153  0.04805762
   0.34546705  0.93535822  0.34955801
   0.40457461  0.88952474  0.15488016
   0.15625787  0.86493277  0.23581663
   0.32223892  0.65943979  0.46337369
   0.05238114  0.68181605  0.40327405
   0.13781438  0.57043401  0.57506191
   0.30546787  0.73393167  0.77484335
   0.13720675  0.82059235  0.54565279
   0.36982557  1.01442826  0.80376844
   0.43580465  0.90770499  0.63611015
   0.18940518  0.92716666  0.69725660
   0.25809680  0.67291980 -0.02965817
   0.00591199  0.66626738  0.91166064
   0.59588533  0.06145924  0.10983372
   0.79974885  0.20002948  0.26665339
   0.59044986  0.31263421  0.03231233
   0.96787747  0.44751506  0.36605696
  -0.00316490  0.36261522  0.19889916
   0.73814774  0.43655090  0.17743611
   0.77055521  0.18006081  0.43935951
   0.52342167  0.13254438  0.41243730
   0.64304441  0.05537356  0.57631171
   0.82045641  0.21289113  0.79838535
   0.57661879  0.31878420  0.54994052
   0.85726768  0.47035631  0.85432892
   0.94747742  0.42112178  0.66584746
   0.69514832  0.43409047  0.70103317
   0.78028571  0.10468674  0.97618898
   0.51862774  0.11664381  0.92726885
   0.54871414  0.57144779  0.07636062
   0.84629608  0.68157968  0.28871221
   0.60983836  0.82654632  0.03902985
   0.82934264  0.95128470  0.35342532
   0.90523774  0.88203366  0.17872187
   0.65254874  0.85201556  0.23107709
   0.81059544  0.59183784  0.46799915
   0.56368707  0.56783786  0.38740930
   0.59689642  0.59780068  0.56860953
   0.81754423  0.71580751  0.78921751
   0.63918142  0.79871137  0.43248678
   0.89508503  0.95817680  0.84295574
   0.92731909  0.88312112  0.66540803
   0.66473559  0.93838784  0.75207522
   0.75524617  0.63663228  0.97231715
   0.49813200  0.67843819  0.89845782
   0.66211430  0.80600694  0.59043986
   0.59504919  0.85344130  0.47940565
   0.86224179  0.22151725  0.10079538
   0.98650237  0.40716046  0.29564648
   0.32250254  0.12801233  0.62760828
   0.24024911  0.81331173  0.75597098
  -0.02184798  1.12671652  0.14916174
   0.25076458  1.07469576  0.03478079
   0.63978621  0.36848597  0.87141533
   0.86067905  0.47970670  0.64223964
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820703    0.555303   -0.064556
    -0.000000    9.884113    0.366770
    -0.000000    0.000000   13.945387
   Si   O    H 
    32    64    10
Direct configuration=   996
   0.16236851  0.16779394 -0.02668184
   0.36525493  0.09999241  0.38847132
   0.09952571  0.41052048  0.11107898
   0.35240131  0.35523520  0.25372543
   0.09736056  0.17896503  0.49305224
   0.40176194  0.16427970  0.84993053
   0.09638510  0.42544090  0.62398455
   0.35430325  0.40533801  0.75164181
   0.10528298  0.68604734  0.00829958
   0.40062296  0.58704567  0.37373672
   0.05943548  0.90963985  0.14497529
   0.32235542  0.84778228  0.25297253
   0.15762049  0.67915545  0.49385466
   0.35254293  0.64623391  0.86399987
   0.06695784  0.92993211  0.61635282
   0.32991424  1.00568452  0.69488276
   0.62624254  0.15098979  1.01114475
   0.86222337  0.11075724  0.35993585
   0.58934770  0.42304820  0.11834152
   0.84175496  0.31396582  0.18557690
   0.63167022  0.17555099  0.49322901
   0.87823482  0.10846324  0.88471031
   0.57274582  0.45106139  0.62326110
   0.75718494  0.37425358  0.80347942
   0.59673658  0.68030083 -0.01065911
   0.91812510  0.60017213  0.37953740
   0.56283857  0.90822643  0.13174218
   0.81639693  0.84299711  0.27240206
   0.65433095  0.63583470  0.46268105
   0.86312346  0.62315925  0.88547100
   0.60190548  0.92364172  0.64182545
   0.82310092  0.88221325  0.75814740
   0.07722327  0.08137519  0.12924811
   0.34782193  0.20096455  0.28998036
   0.09897356  0.30799885  0.02661582
   0.33970114  0.43301526  0.35440532
   0.50573145  0.38284566  0.21506811
   0.24025625  0.40991038  0.17111844
   0.25084142  0.13636474  0.46238281
   0.02356165  0.12804502  0.39536146
   0.03807481  0.08372449  0.58217918
   0.45558231  0.26240845  0.76594215
   0.08805322  0.33482239  0.52723378
   0.37693521  0.48394740  0.84947405
   0.43330030  0.48219006  0.66679924
   0.20266343  0.36848391  0.71810240
   0.26427567  0.21754710 -0.11044542
   0.02702857  0.12154099  0.91691576
   0.06089556  0.57830307  0.09244606
   0.35741307  0.69129255  0.28937420
   0.10377065  0.83774366  0.04879212
   0.34521518  0.93769375  0.34942388
   0.40673780  0.89041954  0.15456687
   0.15565423  0.86493903  0.23685076
   0.32196621  0.66082970  0.46280590
   0.05162467  0.68267720  0.40363036
   0.13774332  0.57017048  0.57560315
   0.30600598  0.73380978  0.77404128
   0.13853761  0.82023878  0.54601390
   0.37014166  1.01465570  0.80414067
   0.43573287  0.90714526  0.63552571
   0.19011895  0.92841673  0.69624731
   0.25738242  0.67307162 -0.03047727
   0.00646450  0.66632587  0.91168031
   0.59599235  0.06352525  0.10985769
   0.79821186  0.19811552  0.26581649
   0.59227729  0.31160114  0.03242656
   0.96658783  0.44758159  0.36443555
  -0.00302333  0.36423821  0.19827117
   0.73832237  0.43624030  0.17716542
   0.77152719  0.17972220  0.43899687
   0.52276427  0.13056740  0.41354287
   0.64285326  0.05484913  0.57579796
   0.82304034  0.21158404  0.79895339
   0.57664364  0.31923075  0.55048391
   0.85714648  0.46904160  0.85481566
   0.94458376  0.42327867  0.66585943
   0.69683895  0.43351889  0.70093707
   0.78039598  0.10485101  0.97630162
   0.51914534  0.11560848  0.92663369
   0.54787659  0.56867361  0.07666815
   0.84682459  0.68175620  0.28921779
   0.60918165  0.82487191  0.03898863
   0.83061497  0.94960480  0.35369258
   0.90563257  0.88174402  0.17937942
   0.65048030  0.85374215  0.23139456
   0.81231462  0.59107506  0.46678384
   0.56142361  0.56708174  0.38598744
   0.59722735  0.59564000  0.56948423
   0.81819047  0.71580256  0.78975106
   0.63747909  0.79856587  0.43216794
   0.89524440  0.95759231  0.84305321
   0.92724245  0.88346260  0.66496602
   0.66460988  0.93901945  0.75252084
   0.75467914  0.63414439  0.97234850
   0.49718151  0.67918611  0.89727835
   0.65672446  0.79838724  0.59474811
   0.59655139  0.85073685  0.48502481
   0.86087567  0.22371870  0.09497322
   1.00052516  0.40594077  0.28925213
   0.32881792  0.12840066  0.62923327
   0.24752625  0.82088736  0.75208815
  -0.01883685  1.13106381  0.14223762
   0.24967816  1.07180101  0.03045401
   0.64097337  0.37550668  0.87099022
   0.86808491  0.47765506  0.64442414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822728    0.552670   -0.064882
    -0.000000    9.885149    0.366485
    -0.000000    0.000000   13.945975
   Si   O    H 
    32    64    10
Direct configuration=   997
   0.16156501  0.16744674 -0.02630144
   0.36598218  0.09860836  0.38853503
   0.09980881  0.41040227  0.11282331
   0.35238453  0.35643074  0.25337867
   0.09554009  0.17861845  0.49439618
   0.40217799  0.16377371  0.84934930
   0.09776211  0.42491946  0.62413300
   0.35347116  0.40508178  0.75127408
   0.10422814  0.68533935  0.00799720
   0.39937398  0.58744647  0.37524996
   0.06018371  0.90951052  0.14530434
   0.32297037  0.84812637  0.25185624
   0.15730601  0.67909027  0.49422200
   0.35223165  0.64624877  0.86491267
   0.06679946  0.92878886  0.61609168
   0.33022834  1.00585478  0.69438694
   0.62677401  0.15209839  1.01194287
   0.86215631  0.11099108  0.36057194
   0.59041572  0.42164994  0.11886145
   0.84042325  0.31298474  0.18523285
   0.63189863  0.17607456  0.49218285
   0.87962742  0.10728709  0.88444685
   0.57277729  0.45004866  0.62411459
   0.75613155  0.37386508  0.80208853
   0.59814099  0.68048438 -0.00989924
   0.91744194  0.59847644  0.37944598
   0.56323268  0.90904183  0.13107746
   0.81730412  0.84256754  0.27236005
   0.65313756  0.63442103  0.46315592
   0.86307284  0.62456751  0.88545646
   0.60254255  0.92415540  0.64146286
   0.82291811  0.88191524  0.75896875
   0.07856922  0.08338329  0.12950022
   0.34931845  0.19995501  0.28967707
   0.09846846  0.30763264  0.02691468
   0.33897244  0.43332700  0.35435446
   0.50718622  0.38249644  0.21521673
   0.24090145  0.40942650  0.17062028
   0.25019590  0.13708706  0.46345431
   0.02510985  0.12924309  0.39505080
   0.03868394  0.08462688  0.58223815
   0.45585619  0.26234667  0.76535074
   0.08846454  0.33399540  0.52670461
   0.37676948  0.48464847  0.85012256
   0.43373226  0.48085556  0.66649644
   0.20293982  0.36882191  0.71813805
   0.26346965  0.21852783 -0.11069341
   0.02744503  0.12029076  0.91652802
   0.06073310  0.57929060  0.09153876
   0.35867483  0.69173736  0.28937947
   0.10417393  0.83855480  0.04966181
   0.34505961  0.93990750  0.34978133
   0.40839490  0.89118757  0.15453071
   0.15517777  0.86432415  0.23741473
   0.32263559  0.66160357  0.46228110
   0.05174457  0.68287104  0.40433675
   0.13743283  0.57016609  0.57631193
   0.30581733  0.73388773  0.77301692
   0.14061025  0.82025349  0.54627843
   0.37116902  1.01526520  0.80473035
   0.43640535  0.90624340  0.63478942
   0.18965092  0.93031224  0.69500325
   0.25674214  0.67255258 -0.03118943
   0.00751319  0.66669764  0.91210040
   0.59558103  0.06581236  0.10983584
   0.79688112  0.19708066  0.26520709
   0.59458180  0.31095538  0.03251962
   0.96547136  0.44739000  0.36214291
  -0.00258661  0.36587503  0.19783945
   0.73930869  0.43773557  0.17674053
   0.77246131  0.17958134  0.43861530
   0.52209705  0.12870655  0.41492096
   0.64310651  0.05438046  0.57504031
   0.82462299  0.21059525  0.80000700
   0.57659886  0.31869346  0.55059697
   0.85771690  0.46767619  0.85528010
   0.94317199  0.42494535  0.66663334
   0.69787104  0.43332032  0.70039251
   0.78105994  0.10526449  0.97586801
   0.51992330  0.11472799  0.92629371
   0.54673796  0.56684936  0.07694025
   0.84665887  0.68199191  0.28927765
   0.60849625  0.82241117  0.03891964
   0.83202879  0.94799306  0.35392929
   0.90573885  0.88149035  0.17964399
   0.64872045  0.85538190  0.23141447
   0.81416511  0.59069424  0.46589759
   0.55902276  0.56524524  0.38404194
   0.59679805  0.59335018  0.56932028
   0.81861062  0.71704857  0.78995378
   0.63602791  0.79867896  0.43158541
   0.89542042  0.95663224  0.84323033
   0.92756708  0.88260906  0.66424545
   0.66428725  0.93988821  0.75245156
   0.75502131  0.63137514  0.97297404
   0.49823845  0.68025147  0.89621152
   0.65634388  0.79392792  0.60149789
   0.59784025  0.84623974  0.48809590
   0.85710177  0.22803340  0.09361598
   1.01028100  0.41029911  0.28918804
   0.33400309  0.13230676  0.63474320
   0.25651909  0.81979435  0.75169350
  -0.00639892  1.13160751  0.13303377
   0.24813039  1.06708366  0.02481367
   0.64030294  0.38408192  0.87041627
   0.86931041  0.48106541  0.64464287
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824540    0.549575   -0.065310
    -0.000000    9.885739    0.365758
    -0.000000    0.000000   13.946289
   Si   O    H 
    32    64    10
Direct configuration=   998
   0.16020638  0.16796104 -0.02616912
   0.36661306  0.09707623  0.38802851
   0.09979374  0.41064108  0.11446363
   0.35253997  0.35768152  0.25269338
   0.09366570  0.17783998  0.49552983
   0.40315593  0.16240660  0.84918680
   0.09840826  0.42408193  0.62427484
   0.35265576  0.40451847  0.75097059
   0.10318584  0.68444807  0.00751435
   0.39754871  0.58767462  0.37622412
   0.06059746  0.90996086  0.14572305
   0.32316156  0.84784263  0.25112756
   0.15732833  0.67912260  0.49451893
   0.35161069  0.64605843  0.86590436
   0.06676472  0.92789214  0.61584434
   0.33019476  1.00632527  0.69351479
   0.62712276  0.15264969  1.01228771
   0.86236326  0.11124580  0.36108448
   0.59165214  0.42002983  0.11975210
   0.83933265  0.31185706  0.18529235
   0.63194843  0.17716883  0.49138869
   0.88101141  0.10602308  0.88430468
   0.57333048  0.44865750  0.62501214
   0.75459194  0.37365479  0.80122719
   0.59905993  0.68022582 -0.00896940
   0.91739767  0.59713965  0.37916792
   0.56364087  0.90967882  0.13046776
   0.81789188  0.84252718  0.27191195
   0.65175837  0.63281627  0.46363052
   0.86292533  0.62592189  0.88530403
   0.60284092  0.92469366  0.64146112
   0.82318609  0.88111391  0.75987747
   0.07999693  0.08393530  0.12980852
   0.35007389  0.19892158  0.28906994
   0.09818662  0.30764638  0.02689243
   0.33864239  0.43408369  0.35434085
   0.50776039  0.38171924  0.21503429
   0.24082008  0.40818936  0.17048599
   0.24966381  0.13757831  0.46443308
   0.02636561  0.12944013  0.39487932
   0.03951069  0.08582527  0.58196383
   0.45601476  0.26300410  0.76470995
   0.08896742  0.33334141  0.52658067
   0.37605174  0.48474118  0.85010752
   0.43276651  0.48027433  0.66603964
   0.20270690  0.36962650  0.71780250
   0.26260029  0.21888463 -0.11106731
   0.02861791  0.11921843  0.91667085
   0.06160305  0.57950839  0.09086196
   0.35979570  0.69235465  0.28946896
   0.10419623  0.83957032  0.05036455
   0.34508541  0.94205682  0.35011219
   0.40991120  0.89148429  0.15461806
   0.15571806  0.86417622  0.23786349
   0.32191143  0.66119050  0.46189543
   0.05146061  0.68357080  0.40434505
   0.13675450  0.56955863  0.57730006
   0.30614343  0.73393080  0.77184531
   0.14261303  0.82098025  0.54630237
   0.37178206  1.01624208  0.80536192
   0.43760091  0.90611663  0.63383350
   0.18853128  0.93146335  0.69407973
   0.25678461  0.67150164 -0.03241311
   0.00865046  0.66876011  0.91219158
   0.59511162  0.06854492  0.11029228
   0.79542175  0.19671364  0.26482907
   0.59734474  0.31148052  0.03250362
   0.96401225  0.44720808  0.35967594
  -0.00273230  0.36736503  0.19788298
   0.74054146  0.43936723  0.17583918
   0.77308782  0.17990198  0.43778512
   0.52120950  0.12633510  0.41645759
   0.64239048  0.05515076  0.57496162
   0.82556159  0.21046206  0.80065197
   0.57627333  0.31861306  0.55111597
   0.85780886  0.46582010  0.85582820
   0.94223087  0.42677188  0.66766602
   0.69897646  0.43255384  0.70017136
   0.78087951  0.10672847  0.97567194
   0.52157765  0.11408114  0.92658828
   0.54606448  0.56574040  0.07629908
   0.84724044  0.68315082  0.28966175
   0.60858381  0.82050751  0.03832286
   0.83390814  0.94719793  0.35396663
   0.90672901  0.88105372  0.18010557
   0.64790182  0.85718679  0.23207796
   0.81613504  0.59007318  0.46532035
   0.55649190  0.56296489  0.38202245
   0.59687856  0.59135598  0.56867293
   0.81876720  0.71767940  0.79068524
   0.63467314  0.79865760  0.43132824
   0.89633860  0.95507185  0.84342957
   0.92751822  0.88195966  0.66364104
   0.66307392  0.93962173  0.75186005
   0.75530034  0.62954948  0.97375212
   0.50021250  0.68100187  0.89540913
   0.65561290  0.78951200  0.60905718
   0.59765817  0.84392430  0.48640435
   0.85385427  0.23708829  0.09486401
   1.01358736  0.41796935  0.29460001
   0.33696635  0.13671100  0.64085720
   0.26346138  0.81814387  0.75142135
  -0.00254076  1.13518090  0.12613890
   0.24653226  1.06427821  0.01796628
   0.64367028  0.38764351  0.86933220
   0.86167551  0.48832435  0.64185376
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826806    0.546436   -0.065390
    -0.000000    9.886170    0.364998
    -0.000000    0.000000   13.946557
   Si   O    H 
    32    64    10
Direct configuration=   999
   0.15890110  0.16843576 -0.02643633
   0.36703519  0.09627051  0.38685205
   0.09974801  0.41127346  0.11586720
   0.35257503  0.35936520  0.25228656
   0.09204792  0.17694247  0.49641187
   0.40421503  0.16049173  0.84909315
   0.09898754  0.42326613  0.62495339
   0.35198503  0.40384255  0.75108212
   0.10215501  0.68355246  0.00709466
   0.39618360  0.58767313  0.37698398
   0.06037073  0.91073590  0.14609776
   0.32295051  0.84757317  0.25029397
   0.15796438  0.67912302  0.49461212
   0.35091569  0.64630397  0.86714056
   0.06696901  0.92694369  0.61499848
   0.33034309  1.00732942  0.69286615
   0.62775065  0.15370572  1.01238474
   0.86298197  0.11107999  0.36156341
   0.59259511  0.41860156  0.12030813
   0.83899683  0.31068675  0.18562903
   0.63153263  0.17827130  0.49070452
   0.88221286  0.10543295  0.88453299
   0.57433696  0.44734907  0.62563104
   0.75339630  0.37324014  0.80058457
   0.59967011  0.67948629 -0.00844283
   0.91767625  0.59601324  0.37879196
   0.56421294  0.90940807  0.13028130
   0.81818576  0.84280725  0.27112998
   0.65036504  0.63182545  0.46434910
   0.86290790  0.62698995  0.88497608
   0.60309596  0.92551190  0.64153516
   0.82359154  0.88045173  0.76087911
   0.08185613  0.08399243  0.13011240
   0.35057203  0.19831717  0.28916749
   0.09798410  0.30811509  0.02711713
   0.33896051  0.43528066  0.35497588
   0.50820263  0.38133954  0.21525428
   0.24144942  0.40695766  0.17103930
   0.24941875  0.13782231  0.46581063
   0.02670608  0.12934111  0.39455240
   0.04093017  0.08596944  0.58178346
   0.45549244  0.26357764  0.76442873
   0.08919221  0.33344467  0.52676248
   0.37497802  0.48482521  0.85008264
   0.43201870  0.47890101  0.66522374
   0.20240936  0.37001713  0.71674173
   0.26186731  0.21929436 -0.11169845
   0.03030762  0.11740902  0.91715486
   0.06186245  0.57928411  0.09025798
   0.36038453  0.69267590  0.28906849
   0.10348804  0.84031975  0.05054592
   0.34500472  0.94431778  0.35065017
   0.40977702  0.89159758  0.15462544
   0.15717407  0.86335269  0.23820703
   0.32126183  0.66126317  0.46226459
   0.05113213  0.68361113  0.40499069
   0.13690204  0.56788117  0.57817756
   0.30708448  0.73323998  0.77096557
   0.14521059  0.82174166  0.54612072
   0.37282330  1.01748071  0.80601514
   0.43919283  0.90588525  0.63348460
   0.18665025  0.93308541  0.69331256
   0.25658347  0.67111245 -0.03371353
   0.00983394  0.66947375  0.91300029
   0.59484840  0.07056106  0.11089136
   0.79393643  0.19707776  0.26432432
   0.59942550  0.31202035  0.03276929
   0.96269086  0.44569641  0.35725394
  -0.00289083  0.36782682  0.19793105
   0.74119873  0.44068676  0.17561763
   0.77358148  0.18146396  0.43781700
   0.52075977  0.12346836  0.41813965
   0.64208312  0.05649128  0.57485153
   0.82635779  0.21101571  0.80135193
   0.57536007  0.31877198  0.55175313
   0.85848592  0.46402569  0.85616367
   0.94068507  0.42836076  0.66835578
   0.69943682  0.43126000  0.69953692
   0.78054369  0.10793241  0.97556575
   0.52408816  0.11361467  0.92684240
   0.54541514  0.56557300  0.07503895
   0.84747703  0.68342596  0.29008412
   0.60890318  0.81976104  0.03779686
   0.83558120  0.94696363  0.35428060
   0.90790848  0.88058828  0.18027774
   0.64709788  0.85967245  0.23270237
   0.81720045  0.58947610  0.46501894
   0.55516976  0.56098298  0.38020526
   0.59640973  0.59021382  0.56770619
   0.81846635  0.71909617  0.79178688
   0.63403419  0.79797168  0.43119141
   0.89760735  0.95260566  0.84328053
   0.92792958  0.88175476  0.66335220
   0.66208326  0.93952304  0.75123280
   0.75596840  0.62852672  0.97457803
   0.50176253  0.68148376  0.89423595
   0.66028894  0.78840132  0.61384678
   0.59660287  0.84098348  0.48595355
   0.85123685  0.24609813  0.09657640
   1.01063542  0.42662233  0.30202403
   0.34135112  0.14306571  0.64601366
   0.26208133  0.81821584  0.75150285
  -0.00511386  1.14295408  0.11957247
   0.24409357  1.06103496  0.01267927
   0.64949632  0.38998077  0.86811150
   0.86275795  0.49086451  0.64241568
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828935    0.543065   -0.065004
    -0.000000    9.886298    0.364401
    -0.000000    0.000000   13.946571
   Si   O    H 
    32    64    10
Direct configuration=  1000
   0.15780614  0.16915576 -0.02661477
   0.36695157  0.09575290  0.38549224
   0.09991170  0.41155154  0.11752921
   0.35291123  0.36044070  0.25229493
   0.09056418  0.17612321  0.49700746
   0.40536092  0.15891403  0.84864689
   0.09929179  0.42226429  0.62520276
   0.35131831  0.40389153  0.75118699
   0.10132463  0.68248057  0.00670879
   0.39427193  0.58768777  0.37756966
   0.06037445  0.91246911  0.14696247
   0.32270285  0.84775926  0.24963899
   0.15881103  0.67890344  0.49496975
   0.35060177  0.64656954  0.86827808
   0.06738763  0.92633694  0.61438608
   0.33103313  1.00836296  0.69244897
   0.62798577  0.15516293  1.01287524
   0.86343175  0.11066511  0.36158035
   0.59373935  0.41705144  0.12061022
   0.83809255  0.30935874  0.18575107
   0.63100758  0.17912751  0.49069868
   0.88269877  0.10439827  0.88429411
   0.57533741  0.44620104  0.62571519
   0.75308773  0.37260236  0.80025424
   0.59967182  0.67908810 -0.00798840
   0.91883403  0.59526943  0.37835780
   0.56539292  0.90979371  0.12983052
   0.81810562  0.84353381  0.27047483
   0.64910809  0.63126646  0.46517271
   0.86265805  0.62785158  0.88411722
   0.60406346  0.92593448  0.64123050
   0.82438928  0.87882030  0.76187940
   0.08302717  0.08438121  0.12988486
   0.35038384  0.19819466  0.28951252
   0.09797150  0.30864687  0.02725139
   0.33915392  0.43672425  0.35504396
   0.50807552  0.38138746  0.21563827
   0.24183878  0.40549088  0.17149332
   0.24997558  0.13807739  0.46742932
   0.02601389  0.12959107  0.39378860
   0.04197357  0.08558386  0.58172935
   0.45421778  0.26433315  0.76408512
   0.08935074  0.33365118  0.52676516
   0.37304542  0.48494176  0.84989691
   0.43088821  0.47833280  0.66436850
   0.20153131  0.37066718  0.71566018
   0.26161778  0.22040501 -0.11227058
   0.03193463  0.11651391  0.91782178
   0.06258641  0.57871522  0.08971271
   0.36061097  0.69300270  0.28807284
   0.10257951  0.84122330  0.05066960
   0.34601970  0.94621370  0.35138020
   0.40897061  0.89118575  0.15465959
   0.15825788  0.86260300  0.23800347
   0.31952371  0.66148537  0.46284215
   0.05133502  0.68375637  0.40581636
   0.13626742  0.56496647  0.57901932
   0.30895465  0.73228239  0.77001470
   0.14670227  0.82272398  0.54573454
   0.37278846  1.01773581  0.80674899
   0.43996391  0.90608271  0.63354928
   0.18491185  0.93574049  0.69281096
   0.25640152  0.67134722 -0.03461490
   0.01072830  0.66988917  0.91353726
   0.59472720  0.07108071  0.11103257
   0.79429780  0.19687434  0.26392304
   0.60153236  0.31247498  0.03374214
   0.96125834  0.44414385  0.35535123
  -0.00367500  0.36859842  0.19803755
   0.74213702  0.44182934  0.17580536
   0.77465233  0.18295968  0.43819152
   0.52011825  0.12106038  0.42006844
   0.64237391  0.05786307  0.57471475
   0.82662290  0.21257547  0.80203379
   0.57544496  0.31764003  0.55221393
   0.85871506  0.46297800  0.85595949
   0.93923208  0.42981061  0.66851532
   0.69978696  0.42961377  0.69839232
   0.77964093  0.10968761  0.97570843
   0.52578379  0.11251176  0.92688040
   0.54490681  0.56535149  0.07361934
   0.84791157  0.68340764  0.29040837
   0.60893113  0.82019847  0.03719725
   0.83743925  0.94694848  0.35535881
   0.90904760  0.88015714  0.18020238
   0.64683688  0.86177386  0.23351285
   0.81737388  0.58914701  0.46484462
   0.55462976  0.55964448  0.37907793
   0.59639468  0.58931366  0.56686428
   0.81835523  0.72028749  0.79276613
   0.63284746  0.79707777  0.43074751
   0.89808200  0.95106739  0.84377367
   0.92781516  0.88131766  0.66349159
   0.66047380  0.93948584  0.75071778
   0.75634853  0.62797188  0.97584132
   0.50452109  0.68218383  0.89380607
   0.66481665  0.79210830  0.61586401
   0.59614430  0.84270611  0.48824461
   0.84715005  0.25018803  0.09516577
   1.01444925  0.43267591  0.30037987
   0.34372208  0.14857884  0.64868740
   0.25743614  0.82010366  0.75044123
  -0.00208347  1.14434950  0.11346808
   0.24788542  1.05555329  0.01045392
   0.64916212  0.39110646  0.86918861
   0.87141397  0.48961665  0.63970364
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830947    0.539790   -0.064786
    -0.000000    9.887026    0.363400
    -0.000000    0.000000   13.947055
   Si   O    H 
    32    64    10
Direct configuration=  1001
   0.15656630  0.16951145 -0.02674921
   0.36732852  0.09573413  0.38424534
   0.10112289  0.41204103  0.11869361
   0.35334218  0.36152415  0.25298579
   0.08926486  0.17588329  0.49716808
   0.40618268  0.15801498  0.84857663
   0.09992270  0.42058419  0.62570195
   0.35085353  0.40364806  0.75181932
   0.10105299  0.68217909  0.00666044
   0.39322191  0.58778022  0.37773682
   0.06061961  0.91460576  0.14799760
   0.32269850  0.84786421  0.24956288
   0.15945419  0.67855238  0.49550246
   0.35009214  0.64716361  0.86893183
   0.06766267  0.92583447  0.61378556
   0.33135146  1.00957567  0.69199738
   0.62846853  0.15674249  1.01341560
   0.86444995  0.10941646  0.36098967
   0.59491610  0.41607975  0.12083807
   0.83769217  0.30821589  0.18589272
   0.63050797  0.18054661  0.49069925
   0.88267169  0.10364335  0.88477723
   0.57662124  0.44470334  0.62540970
   0.75365375  0.37173024  0.80022265
   0.59870548  0.67816609 -0.00750846
   0.92013103  0.59542425  0.37795633
   0.56641110  0.91060716  0.12961238
   0.81794158  0.84398631  0.27012636
   0.64819846  0.63074834  0.46521974
   0.86193044  0.62843640  0.88321753
   0.60468842  0.92667454  0.64072206
   0.82506806  0.87764063  0.76285054
   0.08364952  0.08469899  0.12989627
   0.35018978  0.19824664  0.29023893
   0.09846012  0.30921721  0.02758081
   0.33866087  0.43862235  0.35485449
   0.50696880  0.38115567  0.21622401
   0.24318209  0.40459703  0.17181801
   0.25152681  0.13826941  0.46842719
   0.02495322  0.13049373  0.39225990
   0.04289175  0.08554537  0.58242794
   0.45273781  0.26544091  0.76358959
   0.08909440  0.33400475  0.52662749
   0.37051941  0.48419351  0.84966268
   0.42892599  0.47789523  0.66408697
   0.20104770  0.36988014  0.71440713
   0.26072610  0.22117013 -0.11236072
   0.03360332  0.11574405  0.91830424
   0.06285490  0.57752762  0.08970686
   0.36106900  0.69384027  0.28722519
   0.10207514  0.84263656  0.05050294
   0.34704951  0.94711858  0.35165846
   0.40770358  0.89084513  0.15460336
   0.15926461  0.86234021  0.23758461
   0.31759828  0.66234231  0.46357361
   0.05192281  0.68424011  0.40652104
   0.13613849  0.56282418  0.57993161
   0.31134447  0.73185291  0.76959924
   0.14797945  0.82344896  0.54528795
   0.37267138  1.01748528  0.80699474
   0.44067337  0.90634712  0.63369984
   0.18315315  0.93874119  0.69303277
   0.25642211  0.67202171 -0.03535152
   0.01151640  0.67013419  0.91431867
   0.59418006  0.07129122  0.11088554
   0.79468672  0.19645301  0.26377944
   0.60299592  0.31302993  0.03449199
   0.95958834  0.44217714  0.35435833
  -0.00451970  0.36904965  0.19734577
   0.74236941  0.44245993  0.17581901
   0.77469767  0.18481706  0.43846482
   0.52000212  0.11873535  0.42190001
   0.64207292  0.05943978  0.57485381
   0.82657118  0.21452524  0.80242790
   0.57490693  0.31595727  0.55266343
   0.85951340  0.46318194  0.85592829
   0.93874689  0.43130092  0.66853565
   0.69974721  0.42917220  0.69721629
   0.77888960  0.11131912  0.97600104
   0.52737288  0.11157733  0.92733174
   0.54346760  0.56524933  0.07183786
   0.84887367  0.68308897  0.29105546
   0.60830430  0.82123736  0.03693993
   0.83883000  0.94736379  0.35656161
   0.91063939  0.88025021  0.17964727
   0.64661230  0.86422730  0.23322678
   0.81644867  0.58880753  0.46480339
   0.55416998  0.55770241  0.37972940
   0.59552897  0.58918094  0.56668742
   0.81797521  0.72177649  0.79332777
   0.63159100  0.79576163  0.43046041
   0.89872466  0.94988209  0.84442031
   0.92757610  0.88154623  0.66334150
   0.65927984  0.93818382  0.75040520
   0.75586962  0.62722055  0.97717363
   0.50741686  0.68269698  0.89407628
   0.66982806  0.80094287  0.61398509
   0.59503944  0.84363304  0.48876251
   0.84840049  0.24866042  0.09044109
   1.02230017  0.43440932  0.29427757
   0.34389075  0.15200972  0.65136725
   0.25221130  0.81620486  0.75231305
   0.00418460  1.13841774  0.10877779
   0.24837220  1.05453043  0.00857930
   0.64416107  0.38717509  0.87057641
   0.87400425  0.49425661  0.63634506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832852    0.536629   -0.064834
    -0.000000    9.887656    0.362230
    -0.000000    0.000000   13.947648
   Si   O    H 
    32    64    10
Direct configuration=  1002
   0.15627702  0.16979570 -0.02655691
   0.36765257  0.09566447  0.38334581
   0.10226314  0.41278674  0.11977047
   0.35411334  0.36189351  0.25423073
   0.08851248  0.17574357  0.49684479
   0.40704517  0.15729290  0.84861295
   0.10025076  0.41913106  0.62633081
   0.35129688  0.40397244  0.75196105
   0.10097558  0.68233648  0.00686533
   0.39190182  0.58779579  0.37775526
   0.06097632  0.91652891  0.14835907
   0.32268082  0.84841395  0.24987037
   0.16107140  0.67868490  0.49650314
   0.34957208  0.64810092  0.86969276
   0.06805911  0.92583926  0.61302805
   0.33155105  1.01104564  0.69097961
   0.62913248  0.15851238  1.01312184
   0.86531687  0.10819262  0.36039059
   0.59635143  0.41527794  0.12137301
   0.83764909  0.30735584  0.18607150
   0.62970996  0.18229738  0.49096196
   0.88248540  0.10326711  0.88524508
   0.57711018  0.44371905  0.62494220
   0.75470638  0.37124803  0.79989950
   0.59751287  0.67744270 -0.00705300
   0.92170152  0.59539431  0.37746552
   0.56753128  0.91123172  0.12972659
   0.81699255  0.84428927  0.27005832
   0.64754903  0.63012849  0.46500316
   0.86144754  0.62894983  0.88266178
   0.60492526  0.92726249  0.63983487
   0.82493134  0.87679568  0.76286507
   0.08322288  0.08422604  0.13035041
   0.34966693  0.19829997  0.29068165
   0.09968268  0.30997461  0.02744617
   0.33872089  0.44088724  0.35525971
   0.50590028  0.38165772  0.21631978
   0.24473929  0.40290049  0.17200481
   0.25297308  0.13785314  0.46960616
   0.02377360  0.13149024  0.39032342
   0.04347480  0.08537011  0.58300110
   0.45097863  0.26606435  0.76346030
   0.08907715  0.33356486  0.52693961
   0.36839549  0.48432104  0.84956616
   0.42696088  0.47701852  0.66403321
   0.20061449  0.36894284  0.71345080
   0.25971252  0.22193132 -0.11310626
   0.03538662  0.11509993  0.91879617
   0.06314853  0.57610553  0.08965836
   0.36133712  0.69441186  0.28626844
   0.10200051  0.84293884  0.04956025
   0.34836708  0.94792798  0.35177574
   0.40679973  0.89102749  0.15439091
   0.16012031  0.86231498  0.23681710
   0.31652062  0.66378463  0.46437699
   0.05248046  0.68473259  0.40742108
   0.13613838  0.56200310  0.58073452
   0.31312447  0.73154601  0.76931982
   0.14903990  0.82426095  0.54430620
   0.37238521  1.01689980  0.80700994
   0.44072007  0.90688084  0.63372221
   0.18133243  0.94215188  0.69349709
   0.25618834  0.67239110 -0.03570704
   0.01146382  0.67058318  0.91439780
   0.59375820  0.07112010  0.11073714
   0.79500432  0.19594097  0.26414869
   0.60423309  0.31455169  0.03500874
   0.95898412  0.43935042  0.35324699
  -0.00617385  0.36924570  0.19697646
   0.74279738  0.44338483  0.17573165
   0.77426697  0.18689024  0.43952045
   0.51990564  0.11554198  0.42386926
   0.64133505  0.06042220  0.57497895
   0.82627551  0.21645841  0.80306744
   0.57440110  0.31434161  0.55268407
   0.86000332  0.46383833  0.85604708
   0.93864405  0.43279564  0.66846377
   0.70020482  0.42873262  0.69586850
   0.77827233  0.11406023  0.97634845
   0.52863160  0.11090456  0.92794220
   0.54201365  0.56438501  0.06988012
   0.84968649  0.68355245  0.29166488
   0.60845456  0.82298395  0.03708146
   0.83881190  0.94853339  0.35818866
   0.91161491  0.88071773  0.17888501
   0.64743111  0.86598201  0.23279564
   0.81464001  0.58881650  0.46463362
   0.55495197  0.55608656  0.38101674
   0.59478600  0.58876505  0.56694321
   0.81815687  0.72331816  0.79392626
   0.63083462  0.79389890  0.43052072
   0.89880202  0.94833514  0.84540845
   0.92798401  0.88188071  0.66385636
   0.65799121  0.93666450  0.75013802
   0.75504587  0.62615617  0.97808982
   0.51006629  0.68368658  0.89476790
   0.67585166  0.80616150  0.61105174
   0.59637348  0.84305404  0.48427281
   0.84996596  0.24784059  0.08603898
   1.02232849  0.43474522  0.29385575
   0.34183606  0.15544377  0.65158053
   0.24706067  0.80907751  0.75766019
   0.00696205  1.13053865  0.10381166
   0.24657645  1.05464024  0.00738516
   0.63632922  0.38141250  0.87145425
   0.87483168  0.50128004  0.63117420
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834234    0.533561   -0.064711
    -0.000000    9.888423    0.360960
    -0.000000    0.000000   13.948460
   Si   O    H 
    32    64    10
Direct configuration=  1003
   0.15650975  0.17021291 -0.02568200
   0.36911653  0.09580053  0.38259695
   0.10281092  0.41346655  0.12084728
   0.35457274  0.36196509  0.25558723
   0.08755409  0.17576590  0.49635773
   0.40746860  0.15649251  0.84880278
   0.09984819  0.41777045  0.62666617
   0.35184504  0.40497463  0.75229788
   0.10144291  0.68280311  0.00720682
   0.39089776  0.58833084  0.37724486
   0.06176649  0.91768116  0.14903819
   0.32332350  0.84899383  0.25013132
   0.16258433  0.67801910  0.49741446
   0.34902147  0.64821178  0.87013908
   0.06800518  0.92574931  0.61248399
   0.33175124  1.01237627  0.69021970
   0.62928027  0.15976612  1.01255031
   0.86634151  0.10677502  0.35975146
   0.59741215  0.41528660  0.12162136
   0.83782727  0.30655904  0.18599570
   0.62925194  0.18375711  0.49072960
   0.88191492  0.10361471  0.88559989
   0.57711927  0.44331483  0.62408577
   0.75524467  0.37130796  0.79982186
   0.59659694  0.67654475 -0.00656740
   0.92342726  0.59517692  0.37697608
   0.56850248  0.91174461  0.12981620
   0.81526848  0.84445499  0.26949217
   0.64770880  0.62923357  0.46437383
   0.86040457  0.62878086  0.88181614
   0.60492283  0.92783627  0.63907447
   0.82543211  0.87608908  0.76233945
   0.08248675  0.08243507  0.13125616
   0.34942899  0.19945465  0.29064027
   0.10094481  0.31029393  0.02758406
   0.33916673  0.44306224  0.35539166
   0.50538605  0.38244930  0.21602998
   0.24555928  0.40124928  0.17155979
   0.25463374  0.13712737  0.47056290
   0.02213610  0.13221606  0.38923502
   0.04291302  0.08512345  0.58343599
   0.44961373  0.26647746  0.76389756
   0.08903205  0.33281871  0.52775629
   0.36617214  0.48479547  0.84911882
   0.42452279  0.47716606  0.66375130
   0.19981808  0.36787965  0.71221489
   0.25954395  0.22215267 -0.11382429
   0.03699952  0.11441727  0.91904402
   0.06356021  0.57485057  0.08944529
   0.36211197  0.69447936  0.28588234
   0.10286720  0.84264406  0.04935387
   0.34926098  0.94885848  0.35156233
   0.40553894  0.89120902  0.15417696
   0.16050034  0.86179914  0.23604673
   0.31648457  0.66453691  0.46513210
   0.05258009  0.68524707  0.40810876
   0.13669719  0.56142896  0.58170522
   0.31471767  0.73123574  0.76904150
   0.14980433  0.82510728  0.54343637
   0.37243134  1.01602820  0.80674114
   0.44081510  0.90782645  0.63388793
   0.18043213  0.94592341  0.69404586
   0.25592155  0.67220419 -0.03619684
   0.01109261  0.67094009  0.91425694
   0.59385136  0.07103604  0.11052763
   0.79526869  0.19498267  0.26418054
   0.60568248  0.31550083  0.03528567
   0.95790848  0.43660114  0.35189099
  -0.00819436  0.36885515  0.19644316
   0.74252556  0.44429980  0.17639898
   0.77393444  0.18954344  0.44048382
   0.51965140  0.11352009  0.42566571
   0.63979249  0.06076118  0.57548580
   0.82644960  0.21824144  0.80405457
   0.57451027  0.31216015  0.55248774
   0.85937439  0.46539404  0.85615622
   0.93961642  0.43395504  0.66780673
   0.70081820  0.42856232  0.69542626
   0.77842621  0.11672228  0.97673369
   0.52975368  0.11083641  0.92841996
   0.54095990  0.56412249  0.06896997
   0.85017091  0.68428463  0.29207868
   0.60864120  0.82458746  0.03744971
   0.83929260  0.94923743  0.35915532
   0.91249654  0.88145019  0.17879092
   0.64839928  0.86739388  0.23289517
   0.81242518  0.58937582  0.46424591
   0.55553848  0.55506931  0.38243786
   0.59408035  0.58808426  0.56744376
   0.81786540  0.72499987  0.79457061
   0.63038116  0.79269770  0.43097060
   0.89815326  0.94790916  0.84598068
   0.92769997  0.88177589  0.66458882
   0.65714238  0.93517263  0.74958316
   0.75483564  0.62544300  0.97833524
   0.51187918  0.68439491  0.89517183
   0.68584250  0.80677187  0.60556872
   0.59472486  0.84526853  0.48074717
   0.85238975  0.24863101  0.08800696
   1.01874579  0.43680677  0.29665874
   0.33899779  0.15577964  0.65170917
   0.23879706  0.80140807  0.76355376
   0.00066399  1.13199028  0.09669476
   0.24581525  1.05610862  0.01127965
   0.63117998  0.37373540  0.86868323
   0.87624044  0.50339945  0.63034193
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835131    0.530936   -0.064565
    -0.000000    9.889210    0.360249
    -0.000000    0.000000   13.948846
   Si   O    H 
    32    64    10
Direct configuration=  1004
   0.15760234  0.17067097 -0.02480854
   0.37064005  0.09671864  0.38185664
   0.10308707  0.41377776  0.12168027
   0.35558452  0.36144467  0.25644756
   0.08752213  0.17612236  0.49586929
   0.40825493  0.15594739  0.84883344
   0.09882622  0.41618520  0.62675237
   0.35249492  0.40562501  0.75231413
   0.10184576  0.68327608  0.00738922
   0.38985411  0.58868092  0.37688135
   0.06299358  0.91816514  0.14953916
   0.32445277  0.85024603  0.25066207
   0.16377552  0.67705263  0.49829006
   0.34874453  0.64805185  0.87044047
   0.06771185  0.92564737  0.61191493
   0.33213659  1.01322859  0.69017267
   0.62860208  0.16009725  1.01215570
   0.86720130  0.10536697  0.35879924
   0.59787613  0.41597553  0.12178106
   0.83817274  0.30584875  0.18616909
   0.62864888  0.18487531  0.49076577
   0.88172189  0.10363558  0.88574313
   0.57704249  0.44304849  0.62335502
   0.75578655  0.37164772  0.79956590
   0.59574309  0.67555159 -0.00613656
   0.92491201  0.59538633  0.37709903
   0.56931098  0.91256988  0.12991870
   0.81387162  0.84440004  0.26879634
   0.64770787  0.62926991  0.46402601
   0.86004250  0.62776074  0.88126319
   0.60479302  0.92838679  0.63826892
   0.82581897  0.87617309  0.76153291
   0.08134696  0.08186801  0.13212956
   0.34913318  0.20145844  0.29030944
   0.10226514  0.31041125  0.02777474
   0.33916031  0.44469047  0.35497190
   0.50466997  0.38325468  0.21574736
   0.24652900  0.39970972  0.17120505
   0.25698983  0.13527708  0.47067485
   0.02099798  0.13224775  0.38875843
   0.04271493  0.08472688  0.58369215
   0.44839925  0.26630272  0.76435554
   0.08904755  0.33177514  0.52874475
   0.36373360  0.48457959  0.84883698
   0.42253735  0.47721719  0.66339779
   0.19990243  0.36666861  0.71120306
   0.25995536  0.22237224 -0.11491011
   0.03730990  0.11400874  0.91890875
   0.06374920  0.57380911  0.08914348
   0.36202274  0.69446112  0.28515064
   0.10332831  0.84173031  0.04882129
   0.35026756  0.94849696  0.35069939
   0.40476104  0.89134322  0.15340494
   0.16016222  0.86173250  0.23527274
   0.31680791  0.66505994  0.46607735
   0.05336819  0.68573023  0.40808557
   0.13815284  0.56221516  0.58205166
   0.31592044  0.73162681  0.76880952
   0.14952118  0.82621809  0.54252394
   0.37315403  1.01538292  0.80654484
   0.44086723  0.90988928  0.63439780
   0.17969126  0.94941844  0.69509249
   0.25644650  0.67124035 -0.03749253
   0.01090499  0.67091231  0.91328636
   0.59359853  0.07159071  0.11022358
   0.79626830  0.19369908  0.26433722
   0.60729327  0.31592938  0.03519551
   0.95723676  0.43472050  0.35087025
  -0.00992783  0.36808210  0.19662929
   0.74204722  0.44434552  0.17676380
   0.77313946  0.19135194  0.44139361
   0.51888308  0.11199340  0.42674275
   0.63889370  0.06035923  0.57581537
   0.82682567  0.21831474  0.80503450
   0.57389925  0.31080679  0.55270728
   0.85832674  0.46771228  0.85638424
   0.94041629  0.43521076  0.66706137
   0.70179030  0.42785741  0.69584980
   0.77819317  0.11923542  0.97677120
   0.53091147  0.11032039  0.92877977
   0.54039887  0.56383270  0.06776814
   0.85039589  0.68480312  0.29164253
   0.60929248  0.82613712  0.03813460
   0.83889828  0.94982967  0.35980887
   0.91331235  0.88271587  0.17828750
   0.64963983  0.86778722  0.23358172
   0.81056942  0.59049005  0.46375613
   0.55609615  0.55436159  0.38398506
   0.59406664  0.58751895  0.56717902
   0.81768387  0.72510568  0.79532996
   0.62975589  0.79174738  0.43148686
   0.89791695  0.94785428  0.84654576
   0.92699270  0.88176483  0.66495356
   0.65711159  0.93478505  0.74909775
   0.75541300  0.62573825  0.97818220
   0.51390137  0.68489100  0.89563367
   0.69397819  0.80745028  0.59707033
   0.58950940  0.85498780  0.48414341
   0.85313119  0.24892973  0.09272575
   1.01738131  0.43572987  0.30063999
   0.33572277  0.15465952  0.64927037
   0.23455859  0.79537257  0.77168623
   0.00007858  1.13139402  0.09412274
   0.24411924  1.05819959  0.01553242
   0.62886385  0.36434372  0.86301525
   0.88313559  0.49880710  0.63190418
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835500    0.528559   -0.064733
    -0.000000    9.890352    0.359433
    -0.000000    0.000000   13.949326
   Si   O    H 
    32    64    10
Direct configuration=  1005
   0.15971470  0.17127731 -0.02357919
   0.37170491  0.09784567  0.38121198
   0.10378485  0.41316045  0.12185924
   0.35614105  0.36117504  0.25733020
   0.08831169  0.17569000  0.49499256
   0.40900981  0.15572231  0.84989883
   0.09734772  0.41464973  0.62640100
   0.35270192  0.40636046  0.75188246
   0.10280307  0.68382460  0.00728707
   0.38878652  0.58910277  0.37637185
   0.06397978  0.91897715  0.14968877
   0.32565636  0.85162283  0.25161588
   0.16454002  0.67637037  0.49932987
   0.34895470  0.64763998  0.87067420
   0.06733657  0.92637387  0.61165032
   0.33182489  1.01300112  0.69063674
   0.62795342  0.16012712  1.01144865
   0.86784402  0.10460591  0.35776360
   0.59823977  0.41649561  0.12206708
   0.83854382  0.30460784  0.18667076
   0.62753644  0.18646337  0.49084449
   0.88147984  0.10399427  0.88525144
   0.57646555  0.44222162  0.62219716
   0.75635515  0.37242274  0.79914079
   0.59586108  0.67465272 -0.00616259
   0.92592752  0.59523329  0.37760842
   0.57002094  0.91314008  0.12955653
   0.81304883  0.84455691  0.26790086
   0.64815504  0.62917244  0.46338345
   0.86009131  0.62702134  0.88115727
   0.60486108  0.92933515  0.63721287
   0.82581776  0.87643167  0.76061389
   0.08030880  0.08180891  0.13300546
   0.34933144  0.20295608  0.28967441
   0.10294701  0.31163538  0.02792620
   0.33889083  0.44604557  0.35508428
   0.50362043  0.38369921  0.21496201
   0.24728059  0.39830913  0.17162013
   0.25901232  0.13386449  0.47033827
   0.01963834  0.13226989  0.38825422
   0.04190487  0.08551564  0.58339462
   0.44737294  0.26592762  0.76441009
   0.08934578  0.33028570  0.52965902
   0.36190833  0.48437148  0.84829218
   0.42042347  0.47729054  0.66307244
   0.20033759  0.36581897  0.71084558
   0.26022462  0.22283778 -0.11555841
   0.03599759  0.11408027  0.91860308
   0.06363305  0.57263842  0.08933153
   0.36277755  0.69480662  0.28416302
   0.10373524  0.84087670  0.04850556
   0.35049486  0.94803877  0.34926351
   0.40398659  0.89152877  0.15210242
   0.16072397  0.86177861  0.23495170
   0.31780623  0.66502467  0.46692490
   0.05425671  0.68615207  0.40772709
   0.13902389  0.56249013  0.58243600
   0.31731604  0.73237058  0.76872886
   0.14876926  0.82730731  0.54134097
   0.37388606  1.01477358  0.80601946
   0.44080021  0.91145136  0.63528830
   0.17887194  0.95225211  0.69638297
   0.25694449  0.66970689 -0.03837049
   0.01071766  0.67039826  0.91284160
   0.59368849  0.07225670  0.10971453
   0.79633907  0.19336011  0.26391229
   0.60813448  0.31646045  0.03457653
   0.95525839  0.43259930  0.35090217
  -0.01131605  0.36744846  0.19711969
   0.74086776  0.44482590  0.17733532
   0.77226816  0.19316236  0.44213132
   0.51871348  0.11150396  0.42741371
   0.63780638  0.05995480  0.57613093
   0.82674845  0.21776964  0.80567893
   0.57346587  0.31026668  0.55279810
   0.85794185  0.46919682  0.85655843
   0.94238731  0.43619112  0.66700658
   0.70279782  0.42795975  0.69637953
   0.77839540  0.12151850  0.97730997
   0.53131935  0.11012324  0.92927604
   0.53928497  0.56250837  0.06732327
   0.85040142  0.68553853  0.29082372
   0.60989655  0.82717594  0.03899980
   0.83847426  0.94923383  0.35968796
   0.91266842  0.88419112  0.17768879
   0.65079051  0.86743138  0.23364794
   0.80929840  0.59190863  0.46301972
   0.55737278  0.55411084  0.38555230
   0.59363328  0.58746378  0.56721445
   0.81726176  0.72488336  0.79614810
   0.62910719  0.79043870  0.43260023
   0.89674531  0.94904985  0.84687608
   0.92616760  0.88212186  0.66512446
   0.65895701  0.93453405  0.74902905
   0.75626715  0.62642964  0.97781675
   0.51555072  0.68482450  0.89608425
   0.69825457  0.80920772  0.58913638
   0.58836107  0.85655014  0.47889859
   0.85398682  0.24690130  0.09628912
   1.02427311  0.42732244  0.29659726
   0.33070505  0.15260412  0.65072013
   0.23089019  0.78887255  0.77827937
   0.00548808  1.12792894  0.09613100
   0.24339540  1.06387340  0.01936438
   0.62860441  0.35491502  0.85704688
   0.88567545  0.50316543  0.63015806
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835485    0.526389   -0.064672
    -0.000000    9.891078    0.358268
    -0.000000    0.000000   13.949679
   Si   O    H 
    32    64    10
Direct configuration=  1006
   0.16199288  0.17167315 -0.02275140
   0.37210037  0.09946889  0.38110627
   0.10402855  0.41328346  0.12140600
   0.35719997  0.36122458  0.25852937
   0.08980374  0.17514753  0.49389929
   0.40944817  0.15589663  0.85003630
   0.09569029  0.41374720  0.62583343
   0.35227869  0.40683598  0.75130025
   0.10387116  0.68456618  0.00746085
   0.38817133  0.59019635  0.37613059
   0.06481060  0.91989917  0.14933195
   0.32659296  0.85298134  0.25281421
   0.16500237  0.67580420  0.50039685
   0.34974256  0.64710651  0.87069329
   0.06759880  0.92759294  0.61172566
   0.33140900  1.01242935  0.69127857
   0.62781237  0.16025876  1.01029934
   0.86776704  0.10447643  0.35713720
   0.59952138  0.41783193  0.12249894
   0.83920904  0.30353487  0.18691575
   0.62675282  0.18780155  0.49110024
   0.88102737  0.10463132  0.88504668
   0.57637903  0.44141776  0.62143958
   0.75720433  0.37317589  0.79930613
   0.59609157  0.67408202 -0.00623530
   0.92613769  0.59544898  0.37780868
   0.57026467  0.91398113  0.12975457
   0.81176870  0.84434093  0.26678580
   0.64863917  0.62972197  0.46243696
   0.86010312  0.62631718  0.88136098
   0.60462823  0.93037178  0.63593059
   0.82636424  0.87657013  0.75945223
   0.07947612  0.08186031  0.13453324
   0.34919622  0.20496444  0.28930316
   0.10407982  0.31281615  0.02800156
   0.33848882  0.44685472  0.35505470
   0.50304639  0.38469704  0.21440473
   0.24988770  0.39724892  0.17187580
   0.26075089  0.13239797  0.46995165
   0.01889373  0.13273110  0.38799775
   0.04164016  0.08679904  0.58298049
   0.44688422  0.26471177  0.76484503
   0.08962671  0.32846727  0.53016048
   0.36033093  0.48413926  0.84768213
   0.41888011  0.47705521  0.66284343
   0.20143533  0.36587674  0.71050245
   0.26055161  0.22302998 -0.11551474
   0.03417307  0.11456331  0.91843317
   0.06348783  0.57122587  0.08929070
   0.36378792  0.69526682  0.28319041
   0.10413777  0.83998023  0.04759732
   0.34982928  0.94731076  0.34763214
   0.40433237  0.89208567  0.15117448
   0.16186966  0.86249802  0.23498428
   0.31972011  0.66399404  0.46796316
   0.05541211  0.68569102  0.40788666
   0.14017981  0.56282738  0.58256429
   0.31837455  0.73301952  0.76924370
   0.14742862  0.82842308  0.54042847
   0.37378418  1.01435819  0.80533156
   0.44080261  0.91304688  0.63615627
   0.17810693  0.95444807  0.69715940
   0.25728871  0.66913404 -0.03896013
   0.01049419  0.67041331  0.91244557
   0.59413385  0.07269127  0.10905026
   0.79622864  0.19225692  0.26330517
   0.60836332  0.31717416  0.03448011
   0.95497140  0.43068324  0.35092986
  -0.01294676  0.36750219  0.19690000
   0.74073101  0.44474332  0.17825454
   0.77254360  0.19388823  0.44243214
   0.51892612  0.11224582  0.42780361
   0.63717296  0.05980618  0.57640701
   0.82733610  0.21722271  0.80608651
   0.57322785  0.30973137  0.55268025
   0.85727227  0.47030901  0.85670436
   0.94402362  0.43736444  0.66663471
   0.70334682  0.42929681  0.69702398
   0.77807332  0.12276429  0.97744239
   0.53079683  0.10982920  0.92911344
   0.53872513  0.56106736  0.06674375
   0.85072652  0.68617628  0.28996378
   0.60965236  0.82813022  0.03962936
   0.83884279  0.94827833  0.35959572
   0.91192272  0.88544106  0.17726117
   0.65125846  0.86741811  0.23362845
   0.80849867  0.59280677  0.46247298
   0.55757467  0.55456214  0.38720235
   0.59329117  0.58792347  0.56687284
   0.81704634  0.72419144  0.79676450
   0.62812313  0.78980186  0.43382585
   0.89610557  0.95051298  0.84654429
   0.92612318  0.88354572  0.66505481
   0.66138107  0.93389397  0.74959741
   0.75696280  0.62713103  0.97735140
   0.51587226  0.68612221  0.89582286
   0.69712322  0.81502405  0.58427178
   0.59136361  0.85380547  0.47218789
   0.85103905  0.24325624  0.09879269
   1.02565387  0.41494502  0.29749395
   0.32645341  0.15055778  0.65277760
   0.23066701  0.78085688  0.77939055
   0.00835330  1.12296220  0.09816368
   0.24698043  1.07008787  0.02321032
   0.63023008  0.34646769  0.84955777
   0.88917499  0.50909538  0.62963848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835085    0.524548   -0.064466
    -0.000000    9.891736    0.357048
    -0.000000    0.000000   13.950050
   Si   O    H 
    32    64    10
Direct configuration=  1007
   0.16389418  0.17234244 -0.02191992
   0.37253970  0.10072563  0.38101771
   0.10399872  0.41400136  0.12073866
   0.35844218  0.36143423  0.25988606
   0.09054022  0.17408781  0.49258236
   0.41001592  0.15551760  0.85026058
   0.09429394  0.41266828  0.62590096
   0.35180800  0.40677675  0.75060023
   0.10476262  0.68565182  0.00778453
   0.38802251  0.59161613  0.37566607
   0.06609017  0.92056618  0.14851687
   0.32740218  0.85500154  0.25396037
   0.16555069  0.67539972  0.50157026
   0.35115882  0.64623460  0.87059912
   0.06782600  0.92903959  0.61232760
   0.33072782  1.01230957  0.69170942
   0.62772246  0.16061497  1.00920257
   0.86708355  0.10419034  0.35692048
   0.60050173  0.41982847  0.12262145
   0.83932062  0.30300649  0.18664260
   0.62569373  0.18872693  0.49144601
   0.88111603  0.10520669  0.88478386
   0.57589334  0.44083792  0.62091233
   0.75743583  0.37383447  0.79982800
   0.59688374  0.67418509 -0.00631949
   0.92625306  0.59602082  0.37777577
   0.57038222  0.91464273  0.13035029
   0.81073066  0.84383911  0.26579694
   0.64930568  0.63035766  0.46180302
   0.85995155  0.62553938  0.88229319
   0.60401954  0.93090950  0.63498035
   0.82720499  0.87740766  0.75853582
   0.07894505  0.08175212  0.13603476
   0.34885018  0.20717151  0.28876041
   0.10524716  0.31452901  0.02792062
   0.33791105  0.44684554  0.35489720
   0.50224006  0.38515617  0.21315232
   0.25219357  0.39644792  0.17281622
   0.26302824  0.13153464  0.46931284
   0.01959497  0.13335004  0.38814331
   0.04135584  0.08820863  0.58238349
   0.44637664  0.26400246  0.76463972
   0.09019448  0.32693100  0.53059243
   0.35857703  0.48424717  0.84730820
   0.41787880  0.47650050  0.66250020
   0.20233231  0.36593580  0.71043929
   0.26103518  0.22302369 -0.11499026
   0.03347027  0.11501426  0.91877541
   0.06225181  0.57034883  0.08919750
   0.36494987  0.69530455  0.28285016
   0.10482520  0.83914489  0.04664486
   0.34949464  0.94631709  0.34619882
   0.40400969  0.89219770  0.15032943
   0.16287687  0.86244082  0.23557941
   0.32232776  0.66279292  0.46885483
   0.05683696  0.68561149  0.40788089
   0.14106056  0.56405302  0.58296020
   0.31911259  0.73352542  0.76995259
   0.14571723  0.82928980  0.53946745
   0.37435084  1.01380020  0.80497546
   0.44064750  0.91467210  0.63667819
   0.17769406  0.95650600  0.69742942
   0.25730441  0.66887176 -0.03893702
   0.01001699  0.67002395  0.91235716
   0.59504799  0.07220106  0.10879127
   0.79554138  0.19175709  0.26318331
   0.60888315  0.31712592  0.03405599
   0.95547157  0.42929301  0.35139187
  -0.01376503  0.36727306  0.19656675
   0.74095827  0.44390301  0.17943756
   0.77259179  0.19421889  0.44275199
   0.51947054  0.11289265  0.42766192
   0.63732464  0.06125061  0.57628800
   0.82808503  0.21752865  0.80604717
   0.57205712  0.31049927  0.55245343
   0.85714353  0.47148559  0.85671582
   0.94501505  0.43863462  0.66650076
   0.70324288  0.43046172  0.69767096
   0.77810725  0.12389560  0.97729252
   0.52976912  0.10930698  0.92812508
   0.53809158  0.55927924  0.06678276
   0.85120435  0.68608213  0.28926138
   0.60954423  0.82882533  0.04016268
   0.83933461  0.94744676  0.35875746
   0.91138691  0.88639906  0.17707549
   0.65199527  0.86740032  0.23400903
   0.80920125  0.59303628  0.46127120
   0.55680316  0.55527489  0.38856639
   0.59271393  0.58905783  0.56709104
   0.81717484  0.72331569  0.79709234
   0.62733686  0.78799793  0.43341517
   0.89467324  0.95235520  0.84628434
   0.92760738  0.88514518  0.66508853
   0.66408779  0.93331060  0.74981048
   0.75774852  0.62776031  0.97684001
   0.51481027  0.68712858  0.89460142
   0.69058031  0.82367357  0.58292430
   0.58763370  0.85816070  0.47117428
   0.85178805  0.23767463  0.09706276
   1.02086963  0.40712669  0.30213002
   0.32179326  0.15373457  0.65325739
   0.23000006  0.77384956  0.77863382
   0.00144232  1.12634834  0.09564762
   0.25378396  1.07614400  0.03034871
   0.63173007  0.34140871  0.84381077
   0.89363405  0.51106171  0.63156057
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834687    0.522068   -0.063467
    -0.000000    9.892322    0.356298
    -0.000000    0.000000   13.950435
   Si   O    H 
    32    64    10
Direct configuration=  1008
   0.16553234  0.17359266 -0.02126255
   0.37237013  0.10206637  0.38062846
   0.10384468  0.41441332  0.11967069
   0.35910847  0.36206089  0.26114546
   0.09161509  0.17364996  0.49128321
   0.41077575  0.15502099  0.85087745
   0.09301971  0.41149276  0.62616566
   0.35072824  0.40665888  0.74971126
   0.10525867  0.68686997  0.00790318
   0.38789228  0.59333453  0.37533919
   0.06709363  0.92093475  0.14737142
   0.32808433  0.85645276  0.25493202
   0.16585812  0.67557583  0.50222905
   0.35342991  0.64545264  0.87063024
   0.06819330  0.93045454  0.61322264
   0.32961148  1.01216324  0.69203104
   0.62783092  0.16056511  1.00807272
   0.86564196  0.10417082  0.35701729
   0.60116997  0.42194809  0.12236854
   0.83921754  0.30241083  0.18590344
   0.62399559  0.18935710  0.49188310
   0.88089401  0.10596084  0.88439612
   0.57558102  0.44029671  0.62021041
   0.75840170  0.37483044  0.79972720
   0.59848981  0.67437309 -0.00650156
   0.92602938  0.59625637  0.37833477
   0.56973828  0.91472584  0.13065278
   0.81008407  0.84283781  0.26509466
   0.64988412  0.63157589  0.46157438
   0.85973797  0.62471794  0.88356751
   0.60416316  0.93123560  0.63438766
   0.82778974  0.87770851  0.75742924
   0.07842626  0.08255771  0.13754212
   0.34936906  0.20805161  0.28875798
   0.10621125  0.31586432  0.02821565
   0.33747292  0.44645393  0.35485769
   0.50195890  0.38577321  0.21198369
   0.25439096  0.39563630  0.17420830
   0.26408907  0.13046042  0.46844281
   0.02005599  0.13387680  0.38878089
   0.04161447  0.09022278  0.58185352
   0.44577306  0.26291275  0.76452859
   0.09072463  0.32469650  0.53055949
   0.35617164  0.48373816  0.84694432
   0.41705525  0.47569287  0.66174041
   0.20332896  0.36674734  0.71057207
   0.26112732  0.22266392 -0.11450105
   0.03427075  0.11576042  0.91950304
   0.06113104  0.56956541  0.08868716
   0.36579058  0.69505335  0.28189850
   0.10492083  0.83829289  0.04636746
   0.34930870  0.94469857  0.34514484
   0.40452670  0.89196979  0.14903225
   0.16373763  0.86218570  0.23622718
   0.32441187  0.66151922  0.46910029
   0.05747618  0.68576827  0.40791446
   0.14176936  0.56449335  0.58397313
   0.32048422  0.73334562  0.77065501
   0.14432907  0.83018428  0.53902916
   0.37475164  1.01351231  0.80489936
   0.44044774  0.91634844  0.63762064
   0.17723047  0.95871399  0.69785212
   0.25759108  0.66904216 -0.03867213
   0.00963259  0.66986451  0.91225876
   0.59545408  0.07220875  0.10906196
   0.79535817  0.19073393  0.26299318
   0.60915238  0.31725978  0.03376159
   0.95552769  0.42949700  0.35222447
  -0.01431502  0.36667989  0.19661926
   0.74076989  0.44313513  0.18096932
   0.77262588  0.19603497  0.44277494
   0.52011896  0.11413162  0.42754481
   0.63797485  0.06287655  0.57584082
   0.82929584  0.21776379  0.80641709
   0.57071310  0.31228581  0.55170123
   0.85651504  0.47255857  0.85663871
   0.94588288  0.44016913  0.66644864
   0.70216602  0.43105822  0.69775857
   0.77862752  0.12460443  0.97665692
   0.52853850  0.10925769  0.92684879
   0.53694484  0.55692958  0.06688010
   0.85277650  0.68522828  0.28896684
   0.60900686  0.82853157  0.04051873
   0.83955498  0.94639727  0.35758250
   0.91113026  0.88737700  0.17671144
   0.65266525  0.86750340  0.23380111
   0.81000304  0.59314419  0.46002904
   0.55602392  0.55497979  0.38980903
   0.59284021  0.59074229  0.56746382
   0.81673075  0.72230707  0.79701969
   0.62658002  0.78648689  0.43313411
   0.89356351  0.95428506  0.84587660
   0.92913961  0.88565075  0.66535785
   0.66696897  0.93304007  0.75001926
   0.75874108  0.62812070  0.97648163
   0.51369963  0.68821821  0.89355728
   0.67740045  0.83217887  0.58719799
   0.58239428  0.86343345  0.47073370
   0.85281421  0.22918045  0.09541440
   1.01901785  0.40137765  0.30598104
   0.31609324  0.15273091  0.65287793
   0.22716490  0.76862759  0.77693407
  -0.00173351  1.13103605  0.09387133
   0.26169575  1.08410126  0.03658924
   0.62918349  0.33908207  0.84057915
   0.89581395  0.51317150  0.63122049
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834375    0.518902   -0.062787
    -0.000000    9.893617    0.355357
    -0.000000    0.000000   13.950953
   Si   O    H 
    32    64    10
Direct configuration=  1009
   0.16752063  0.17433368 -0.02081802
   0.37201784  0.10351245  0.38077808
   0.10365123  0.41432727  0.11903148
   0.35912212  0.36290642  0.26170902
   0.09299510  0.17300340  0.48951616
   0.41134421  0.15474843  0.85152104
   0.09204363  0.41057851  0.62595282
   0.34969649  0.40618610  0.74914855
   0.10560537  0.68808666  0.00775122
   0.38750557  0.59421011  0.37515670
   0.06902130  0.92023837  0.14635884
   0.32827138  0.85814012  0.25538265
   0.16569463  0.67625162  0.50300840
   0.35615656  0.64480064  0.87057607
   0.06905558  0.93170856  0.61350647
   0.32847422  1.01157291  0.69282092
   0.62821583  0.16013410  1.00754204
   0.86392036  0.10457168  0.35769783
   0.60152324  0.42421777  0.12227064
   0.83871900  0.30213067  0.18496183
   0.62245880  0.18971659  0.49270255
   0.88095741  0.10641762  0.88406738
   0.57540757  0.44042356  0.61952606
   0.75940323  0.37529977  0.79981078
   0.60068715  0.67513413 -0.00725244
   0.92612954  0.59613435  0.37909394
   0.56843025  0.91498084  0.13122250
   0.80958343  0.84205487  0.26455952
   0.64981507  0.63250265  0.46131396
   0.85922973  0.62355018  0.88471263
   0.60436946  0.93170990  0.63453901
   0.82829643  0.87780258  0.75628300
   0.07701845  0.08360952  0.13796669
   0.34912380  0.20951121  0.28882639
   0.10776793  0.31644716  0.02838621
   0.33694799  0.44677783  0.35444599
   0.50275414  0.38556069  0.20973195
   0.25553455  0.39537621  0.17540921
   0.26450547  0.13010868  0.46779531
   0.01974190  0.13469014  0.38930687
   0.04150279  0.09154188  0.58123752
   0.44484672  0.26182468  0.76423387
   0.09113057  0.32200654  0.53036078
   0.35386934  0.48301910  0.84634432
   0.41740089  0.47480413  0.66033219
   0.20442963  0.36794067  0.71091411
   0.26100934  0.22295743 -0.11390837
   0.03587419  0.11598792  0.92016704
   0.06071009  0.56864950  0.08841480
   0.36622196  0.69410179  0.28072582
   0.10521086  0.83888956  0.04580028
   0.34982432  0.94384969  0.34356089
   0.40551220  0.89201648  0.14801713
   0.16527772  0.86208929  0.23638853
   0.32543687  0.65981019  0.46866985
   0.05765781  0.68542157  0.40821419
   0.14211332  0.56441335  0.58462844
   0.32138004  0.73340322  0.77138946
   0.14344533  0.83109724  0.53810809
   0.37613784  1.01348287  0.80510871
   0.44016800  0.91766682  0.63839659
   0.17703071  0.95994096  0.69785964
   0.25800342  0.66834445 -0.03859210
   0.00941312  0.66988586  0.91238031
   0.59610097  0.07264837  0.10948733
   0.79522514  0.19002458  0.26335243
   0.60886773  0.31722909  0.03370674
   0.95638791  0.43084880  0.35403004
  -0.01446370  0.36632676  0.19634056
   0.74079465  0.44161769  0.18201638
   0.77407962  0.19708688  0.44251029
   0.52037794  0.11575258  0.42717922
   0.64007531  0.06455839  0.57546188
   0.82972687  0.21850647  0.80734317
   0.56878017  0.31399727  0.55091904
   0.85581661  0.47315052  0.85670656
   0.94627585  0.44175770  0.66720828
   0.70050695  0.43223590  0.69736981
   0.78004778  0.12522772  0.97602324
   0.52779961  0.10907022  0.92579245
   0.53611440  0.55547862  0.06785860
   0.85403943  0.68387008  0.28880935
   0.60891208  0.82828962  0.04053670
   0.83955841  0.94534345  0.35627176
   0.91104567  0.88778421  0.17623852
   0.65250801  0.86847130  0.23346304
   0.81035000  0.59348758  0.45883396
   0.55450159  0.55453367  0.39042571
   0.59333875  0.59156704  0.56792796
   0.81654550  0.72177867  0.79665759
   0.62516870  0.78541474  0.43305303
   0.89247876  0.95529516  0.84517850
   0.93009646  0.88616092  0.66535412
   0.66960573  0.93213012  0.75022674
   0.75976525  0.62835898  0.97547902
   0.51127042  0.68972889  0.89223343
   0.66759669  0.83283528  0.58955636
   0.58276153  0.86155119  0.46608518
   0.85185604  0.22442333  0.09193921
   1.02253847  0.39600803  0.30626295
   0.31055137  0.15244134  0.64959344
   0.22510338  0.76278848  0.77291550
   0.00522432  1.13280240  0.09803081
   0.27015025  1.09219233  0.04134320
   0.62418995  0.33925655  0.83997335
   0.89436880  0.51520874  0.62888507
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834217    0.515488   -0.061418
    -0.000000    9.894768    0.354863
    -0.000000    0.000000   13.951352
   Si   O    H 
    32    64    10
Direct configuration=  1010
   0.16910485  0.17460643 -0.02063716
   0.37178948  0.10467940  0.38107567
   0.10359490  0.41439188  0.11837586
   0.35958780  0.36427767  0.26175573
   0.09422316  0.17226946  0.48804718
   0.41246081  0.15426716  0.85220138
   0.09225640  0.41012510  0.62598343
   0.34893509  0.40550592  0.74864364
   0.10567370  0.68884844  0.00764268
   0.38808643  0.59516599  0.37487417
   0.07090604  0.91928487  0.14582650
   0.32853278  0.85898469  0.25533675
   0.16599716  0.67697858  0.50341680
   0.35879210  0.64416698  0.87076620
   0.07009281  0.93289385  0.61382645
   0.32752356  1.01071639  0.69332029
   0.62877614  0.15950854  1.00787767
   0.86172464  0.10593577  0.35846692
   0.60273016  0.42559889  0.12204854
   0.83798964  0.30187046  0.18423924
   0.62190246  0.18976463  0.49379091
   0.88080604  0.10721423  0.88382800
   0.57476907  0.44109492  0.61910627
   0.76063055  0.37546267  0.79984028
   0.60224470  0.67578550 -0.00760351
   0.92665644  0.59608274  0.37941358
   0.56765018  0.91512540  0.13224112
   0.80930833  0.84121048  0.26388709
   0.64977224  0.63295427  0.46152779
   0.85921521  0.62303426  0.88615722
   0.60410879  0.93272156  0.63516049
   0.82864357  0.87778102  0.75498119
   0.07605070  0.08445539  0.13781162
   0.34930075  0.20987349  0.28931741
   0.10982925  0.31660662  0.02828885
   0.33624724  0.44621170  0.35428794
   0.50371677  0.38576154  0.20787587
   0.25618605  0.39518267  0.17632678
   0.26537135  0.12942490  0.46713668
   0.01853810  0.13570007  0.38948937
   0.04140173  0.09240239  0.58060076
   0.44407973  0.26055156  0.76479466
   0.09182950  0.31936102  0.53038609
   0.35172917  0.48222185  0.84553188
   0.41868846  0.47399229  0.65900847
   0.20449063  0.36933599  0.71089087
   0.26059958  0.22335974 -0.11323412
   0.03807946  0.11671137  0.92075999
   0.06104648  0.56704671  0.08791839
   0.36629211  0.69313356  0.27937963
   0.10594707  0.83959397  0.04526461
   0.34968164  0.94410283  0.34268273
   0.40617723  0.89248942  0.14777838
   0.16641607  0.86241445  0.23725911
   0.32615734  0.65954044  0.46826106
   0.05766605  0.68481181  0.40840303
   0.14318238  0.56382405  0.58527549
   0.32289425  0.73395772  0.77168410
   0.14239412  0.83294903  0.53795750
   0.37655045  1.01385986  0.80577676
   0.44015453  0.91901888  0.63885202
   0.17665700  0.96107730  0.69807832
   0.25827310  0.66850174 -0.03822298
   0.00911852  0.66994745  0.91275060
   0.59647476  0.07304394  0.10979669
   0.79554039  0.18926941  0.26392063
   0.60785604  0.31665767  0.03434362
   0.95691159  0.43317537  0.35566072
  -0.01411206  0.36570259  0.19628775
   0.74088947  0.43936877  0.18303439
   0.77543996  0.19753789  0.44216584
   0.52063753  0.11765550  0.42660402
   0.64206740  0.06766727  0.57476898
   0.82995541  0.21954309  0.80776318
   0.56695082  0.31540782  0.54971462
   0.85597089  0.47236327  0.85595121
   0.94598822  0.44313855  0.66820371
   0.69922495  0.43310757  0.69744655
   0.78186872  0.12611199  0.97582514
   0.52724430  0.10860046  0.92486650
   0.53500096  0.55545899  0.06881627
   0.85534152  0.68307927  0.28886344
   0.60926291  0.82778861  0.04099798
   0.83979137  0.94462422  0.35484411
   0.91146816  0.88829923  0.17539186
   0.65198876  0.86870637  0.23312138
   0.81048497  0.59353345  0.45847327
   0.55290481  0.55439278  0.39058169
   0.59446503  0.59219365  0.56813450
   0.81609833  0.72214162  0.79574175
   0.62389564  0.78556307  0.43271809
   0.89138109  0.95586877  0.84440998
   0.93135399  0.88574568  0.66463984
   0.67091586  0.93113260  0.74966405
   0.75948188  0.62885244  0.97500867
   0.50946180  0.69059810  0.89098674
   0.66563041  0.82262017  0.58645881
   0.58292796  0.85945947  0.46069103
   0.84593502  0.22463062  0.09202872
   1.02272868  0.39230752  0.30785315
   0.30262487  0.14853548  0.64675792
   0.22454375  0.75682433  0.76769281
   0.01268467  1.13221355  0.10444742
   0.27805544  1.10128976  0.04287954
   0.62379987  0.34036435  0.84053427
   0.89202025  0.51645978  0.62826568
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834127    0.511946   -0.060147
    -0.000000    9.896068    0.353403
    -0.000000    0.000000   13.951620
   Si   O    H 
    32    64    10
Direct configuration=  1011
   0.17046628  0.17502359 -0.02073424
   0.37175451  0.10555409  0.38077318
   0.10409937  0.41434411  0.11765990
   0.35994173  0.36575319  0.26178894
   0.09554533  0.17187271  0.48706596
   0.41331144  0.15394842  0.85273482
   0.09340581  0.40990938  0.62582815
   0.34789428  0.40433252  0.74810493
   0.10529672  0.68887666  0.00736489
   0.38866918  0.59651624  0.37428916
   0.07243808  0.91769361  0.14530086
   0.32962860  0.85861318  0.25465382
   0.16569442  0.67717593  0.50400429
   0.36091549  0.64382953  0.87119553
   0.07042953  0.93403798  0.61465251
   0.32668065  1.01014594  0.69413091
   0.62955892  0.15865010  1.00857058
   0.85945885  0.10748237  0.35928389
   0.60359879  0.42632170  0.12230510
   0.83755142  0.30173080  0.18371163
   0.62177589  0.18884645  0.49462047
   0.88091050  0.10784279  0.88403466
   0.57419276  0.44250243  0.61886720
   0.76175609  0.37539763  0.80002908
   0.60350345  0.67661839 -0.00784239
   0.92734734  0.59556189  0.37948570
   0.56730171  0.91534273  0.13294093
   0.80923399  0.83984094  0.26338163
   0.65068967  0.63293708  0.46185266
   0.85920363  0.62265040  0.88819723
   0.60409196  0.93403200  0.63638538
   0.82900066  0.87804676  0.75376814
   0.07623378  0.08437870  0.13805429
   0.34998623  0.20943118  0.28967575
   0.11043830  0.31674787  0.02826053
   0.33566902  0.44527190  0.35474615
   0.50457115  0.38479390  0.20616600
   0.25551947  0.39569684  0.17614505
   0.26626737  0.12847642  0.46687175
   0.01711245  0.13743163  0.38936577
   0.04123677  0.09272021  0.57944304
   0.44333926  0.25922847  0.76548223
   0.09254031  0.31714333  0.53111718
   0.35028306  0.48175165  0.84492539
   0.42060838  0.47351710  0.65760652
   0.20373032  0.37056882  0.71058388
   0.26043336  0.22330770 -0.11241407
   0.03935085  0.11812095  0.92157672
   0.06105447  0.56621702  0.08725663
   0.36684589  0.69244125  0.27875655
   0.10657402  0.84104494  0.04492226
   0.35081067  0.94463451  0.34245591
   0.40638766  0.89214437  0.14758375
   0.16722265  0.86367993  0.23772938
   0.32623964  0.65815664  0.46835328
   0.05836006  0.68379176  0.40921341
   0.14390698  0.56355796  0.58596646
   0.32421912  0.73456538  0.77259870
   0.14139971  0.83341044  0.53739877
   0.37683292  1.01390986  0.80628031
   0.44003715  0.92142192  0.63923977
   0.17735659  0.96250014  0.69824299
   0.25806372  0.66831412 -0.03736402
   0.00895243  0.66928510  0.91355637
   0.59669234  0.07287012  0.10992036
   0.79617663  0.18849138  0.26484362
   0.60701479  0.31589421  0.03502569
   0.95775965  0.43668339  0.35691609
  -0.01405017  0.36552187  0.19603560
   0.74085373  0.43720380  0.18345624
   0.77580285  0.19763448  0.44206075
   0.52055794  0.11959550  0.42610693
   0.64374547  0.07043382  0.57445977
   0.83064608  0.22082339  0.80743068
   0.56470335  0.31758471  0.54850780
   0.85670536  0.47147023  0.85569788
   0.94525659  0.44402911  0.66921145
   0.69781269  0.43279692  0.69758819
   0.78374727  0.12636182  0.97591101
   0.52747304  0.10797768  0.92437253
   0.53289561  0.55700818  0.06952953
   0.85569389  0.68249798  0.28861048
   0.61065082  0.82727494  0.04109298
   0.84019793  0.94462091  0.35316609
   0.91259286  0.88861786  0.17458359
   0.65115580  0.86826639  0.23243967
   0.81008465  0.59269573  0.45829688
   0.55162401  0.55417459  0.39077440
   0.59619535  0.59283725  0.56836700
   0.81557225  0.72202571  0.79377752
   0.62238736  0.78574807  0.43184565
   0.89140888  0.95680836  0.84323702
   0.93279618  0.88499187  0.66381855
   0.67096054  0.93002576  0.74893117
   0.75954995  0.62945867  0.97438932
   0.50765824  0.69105505  0.88991980
   0.66442860  0.81146664  0.58467779
   0.58019681  0.86493500  0.46185430
   0.84369159  0.22599975  0.09572076
   1.01609752  0.39434117  0.31301575
   0.29757181  0.14386293  0.64322296
   0.22352156  0.74843828  0.76190139
   0.00041057  1.14022917  0.10343854
   0.28080352  1.11012604  0.04170331
   0.62710593  0.34425800  0.84448224
   0.89342858  0.51342037  0.63133072
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833895    0.508323   -0.058701
    -0.000000    9.896989    0.352717
    -0.000000    0.000000   13.951971
   Si   O    H 
    32    64    10
Direct configuration=  1012
   0.17137744  0.17602678 -0.02119588
   0.37161801  0.10634237  0.38094544
   0.10500863  0.41340476  0.11713131
   0.36095764  0.36689216  0.26173778
   0.09663349  0.17091809  0.48616540
   0.41315430  0.15384928  0.85297795
   0.09429212  0.41027557  0.62540592
   0.34664515  0.40294347  0.74746479
   0.10490542  0.68831719  0.00725068
   0.38944780  0.59787013  0.37401093
   0.07393587  0.91595540  0.14473596
   0.32998512  0.85770959  0.25441049
   0.16549188  0.67792809  0.50407959
   0.36263886  0.64330968  0.87124383
   0.07039441  0.93532029  0.61584022
   0.32586907  1.00977786  0.69471336
   0.62991603  0.15824376  1.00902872
   0.85759428  0.10942271  0.36033407
   0.60402112  0.42689544  0.12263952
   0.83708161  0.30107608  0.18379515
   0.62178083  0.18784998  0.49541944
   0.88126071  0.10912173  0.88442158
   0.57419177  0.44356708  0.61873031
   0.76216495  0.37512022  0.79980192
   0.60421921  0.67718941 -0.00762103
   0.92828389  0.59619559  0.37948622
   0.56746797  0.91587783  0.13340787
   0.80961732  0.83889978  0.26246181
   0.65171879  0.63291471  0.46232196
   0.85917691  0.62210248  0.88949552
   0.60381424  0.93505278  0.63687976
   0.82922067  0.87856589  0.75304462
   0.07608739  0.08369267  0.13879399
   0.35156715  0.20933129  0.29062228
   0.11127490  0.31661907  0.02798192
   0.33473082  0.44463669  0.35604832
   0.50470725  0.38303195  0.20513384
   0.25395236  0.39672438  0.17575724
   0.26710996  0.12760302  0.46639039
   0.01593640  0.13793062  0.38892478
   0.04016183  0.09209711  0.57834592
   0.44225499  0.25811581  0.76628298
   0.09338789  0.31578042  0.53230428
   0.34893849  0.48211079  0.84433856
   0.42182189  0.47297990  0.65640345
   0.20189086  0.37238577  0.71024403
   0.26060358  0.22217646 -0.11142097
   0.03976704  0.11890743  0.92243169
   0.06111605  0.56647662  0.08616142
   0.36683353  0.69182993  0.27788821
   0.10711140  0.84254209  0.04486144
   0.35232418  0.94602043  0.34327434
   0.40666729  0.89173106  0.14773243
   0.16839089  0.86472482  0.23845590
   0.32631095  0.65845130  0.46844953
   0.05916855  0.68228612  0.41003292
   0.14416507  0.56226072  0.58675869
   0.32445532  0.73491593  0.77310288
   0.14015452  0.83481728  0.53656780
   0.37763028  1.01415993  0.80636977
   0.44001744  0.92388574  0.63952133
   0.17737439  0.96325602  0.69807386
   0.25839009  0.66794005 -0.03600524
   0.00828737  0.66943880  0.91477650
   0.59745248  0.07330035  0.10959226
   0.79683551  0.18902220  0.26518078
   0.60633384  0.31477441  0.03524413
   0.95811045  0.44044537  0.35779065
  -0.01322801  0.36474728  0.19554667
   0.74083220  0.43572769  0.18340391
   0.77616613  0.19760270  0.44209860
   0.52086626  0.12121248  0.42509891
   0.64583417  0.07230361  0.57455816
   0.83143200  0.22205190  0.80681466
   0.56309730  0.31966753  0.54741297
   0.85765079  0.47035842  0.85561629
   0.94475000  0.44464628  0.67049950
   0.69659251  0.43173643  0.69784940
   0.78681030  0.12619240  0.97640293
   0.52763462  0.10754857  0.92405236
   0.53128166  0.55924120  0.07011880
   0.85591745  0.68200634  0.28857873
   0.61173087  0.82642387  0.04073712
   0.84066226  0.94457190  0.35168509
   0.91312016  0.88863669  0.17346243
   0.65120233  0.86742562  0.23150212
   0.80964313  0.59166057  0.45852610
   0.55043663  0.55401811  0.39016307
   0.59835184  0.59307956  0.56876761
   0.81454817  0.72215824  0.79198819
   0.62188555  0.78636923  0.43081061
   0.89169471  0.95789089  0.84157400
   0.93346690  0.88368657  0.66275846
   0.67064177  0.92980487  0.74826513
   0.75850425  0.62962122  0.97363294
   0.50628646  0.69087824  0.88885785
   0.66328191  0.80496407  0.58535515
   0.57833337  0.86570993  0.46016346
   0.84097913  0.22896150  0.09927164
   1.01368594  0.39395201  0.31191327
   0.29614857  0.13766550  0.64010932
   0.22834001  0.74332600  0.75744220
  -0.00873619  1.14443729  0.10366669
   0.28112232  1.11508839  0.04299002
   0.63088696  0.34828660  0.85198593
   0.89109969  0.51173414  0.63187299
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833638    0.504560   -0.057367
    -0.000000    9.897395    0.352376
    -0.000000    0.000000   13.952586
   Si   O    H 
    32    64    10
Direct configuration=  1013
   0.17212452  0.17724366 -0.02154879
   0.37146976  0.10723365  0.38088047
   0.10675256  0.41209226  0.11765827
   0.36230386  0.36787918  0.26132342
   0.09802080  0.16961648  0.48537427
   0.41291335  0.15348509  0.85334406
   0.09499467  0.41058842  0.62475242
   0.34561704  0.40145757  0.74660822
   0.10444895  0.68752688  0.00675513
   0.38983971  0.59920426  0.37365783
   0.07526906  0.91477327  0.14401094
   0.33032030  0.85635782  0.25390517
   0.16539328  0.67857826  0.50406071
   0.36408871  0.64244181  0.87176961
   0.07078275  0.93643334  0.61704434
   0.32524356  1.00927993  0.69521285
   0.63062419  0.15798835  1.00930805
   0.85592351  0.11122739  0.36146392
   0.60426949  0.42714264  0.12247568
   0.83674717  0.30003465  0.18404112
   0.62188751  0.18698930  0.49574538
   0.88217823  0.11045640  0.88428075
   0.57424160  0.44435140  0.61839237
   0.76282895  0.37479459  0.79966386
   0.60512541  0.67787914 -0.00714047
   0.92846919  0.59714118  0.37925654
   0.56800146  0.91666294  0.13375411
   0.80998335  0.83822927  0.26158354
   0.65251595  0.63261447  0.46292117
   0.85932049  0.62241844  0.89033384
   0.60361680  0.93567765  0.63705515
   0.82992955  0.87852319  0.75282050
   0.07542913  0.08411806  0.13892790
   0.35350725  0.20891770  0.29157510
   0.11218744  0.31651650  0.02767891
   0.33355125  0.44445783  0.35712064
   0.50463635  0.38198443  0.20478726
   0.25229504  0.39701027  0.17582977
   0.26725110  0.12664639  0.46643871
   0.01428845  0.13853612  0.38807465
   0.03907129  0.09057693  0.57782000
   0.44087532  0.25748925  0.76693171
   0.09377192  0.31479046  0.53370179
   0.34767076  0.48296877  0.84388210
   0.42391588  0.47223640  0.65558039
   0.20012921  0.37350902  0.70968529
   0.26216991  0.22175340 -0.11040697
   0.03943007  0.12050295  0.92312726
   0.06113406  0.56581264  0.08499991
   0.36700671  0.69126940  0.27698940
   0.10800475  0.84431915  0.04487897
   0.35388590  0.94753148  0.34426855
   0.40684840  0.89079263  0.14851213
   0.16865037  0.86547216  0.23887136
   0.32635895  0.65891126  0.46899659
   0.05988416  0.68090517  0.41103929
   0.14374561  0.56134178  0.58786030
   0.32446016  0.73539387  0.77364140
   0.13863626  0.83609240  0.53543210
   0.37857339  1.01415371  0.80586304
   0.44005526  0.92579406  0.64009807
   0.17719670  0.96350638  0.69780155
   0.25958074  0.66710540 -0.03419327
   0.00723482  0.66997981  0.91557185
   0.59827019  0.07306591  0.10894721
   0.79797469  0.18975904  0.26566777
   0.60500291  0.31455836  0.03496070
   0.95843660  0.44396365  0.35871792
  -0.01252273  0.36405859  0.19466327
   0.74074638  0.43470591  0.18346832
   0.77590248  0.19726432  0.44180382
   0.52030390  0.12323017  0.42412568
   0.64769116  0.07333203  0.57493571
   0.83163433  0.22364817  0.80534390
   0.56191207  0.32195170  0.54657926
   0.85880877  0.46954710  0.85530940
   0.94376198  0.44468339  0.67122138
   0.69535536  0.43099127  0.69743002
   0.78971020  0.12572265  0.97685046
   0.52860096  0.10717078  0.92421006
   0.53056158  0.56203244  0.06930982
   0.85549470  0.68192103  0.28880721
   0.61276164  0.82546440  0.04031114
   0.84114951  0.94488323  0.35042418
   0.91391707  0.88883809  0.17208101
   0.65135759  0.86680566  0.23034135
   0.80978272  0.59075624  0.45854818
   0.55034151  0.55447445  0.38856326
   0.59976494  0.59370827  0.56915313
   0.81385217  0.72299696  0.79036364
   0.62122504  0.78742828  0.42952485
   0.89199868  0.95939186  0.84056605
   0.93309071  0.88208246  0.66216610
   0.66959170  0.92988934  0.74758947
   0.75791681  0.62942946  0.97351907
   0.50623823  0.69082084  0.88828126
   0.66190193  0.80847170  0.59023340
   0.57865912  0.86455536  0.45665068
   0.83974311  0.22863937  0.09879066
   1.01448896  0.39114435  0.30769706
   0.29911074  0.13296839  0.63775737
   0.23416447  0.73422769  0.75168790
  -0.00772153  1.14125430  0.10573390
   0.27837117  1.11894580  0.04238656
   0.63681022  0.35782484  0.85707549
   0.88579578  0.51086881  0.63273499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832979    0.500634   -0.056526
    -0.000000    9.897778    0.351211
    -0.000000    0.000000   13.953135
   Si   O    H 
    32    64    10
Direct configuration=  1014
   0.17248971  0.17816025 -0.02195777
   0.37083229  0.10802252  0.38127024
   0.10892834  0.41092564  0.11807947
   0.36394451  0.36812285  0.26050569
   0.09935751  0.16823216  0.48465373
   0.41286931  0.15317584  0.85386069
   0.09553530  0.41066616  0.62406356
   0.34515386  0.40052779  0.74567867
   0.10377064  0.68730945  0.00645095
   0.39080837  0.60073447  0.37290049
   0.07624614  0.91389314  0.14374812
   0.33050866  0.85589151  0.25321265
   0.16512088  0.67930201  0.50434549
   0.36448224  0.64151443  0.87221900
   0.07140275  0.93703457  0.61824620
   0.32476271  1.00917395  0.69580898
   0.63121739  0.15746071  1.01026928
   0.85456553  0.11260690  0.36294832
   0.60465069  0.42700570  0.12213665
   0.83708802  0.29848247  0.18454684
   0.62150087  0.18660636  0.49617012
   0.88368518  0.11171131  0.88406012
   0.57418282  0.44506196  0.61769931
   0.76317974  0.37470091  0.79964627
   0.60574438  0.67813280 -0.00671446
   0.92802700  0.59805185  0.37912704
   0.56871839  0.91722140  0.13402582
   0.81072650  0.83807901  0.26073239
   0.65289001  0.63285946  0.46372882
   0.85931907  0.62296736  0.89065349
   0.60397305  0.93619316  0.63690005
   0.83113558  0.87808117  0.75304757
   0.07453629  0.08482120  0.13850110
   0.35471633  0.20942610  0.29242146
   0.11280038  0.31683309  0.02761393
   0.33180618  0.44542577  0.35854287
   0.50500718  0.38037622  0.20500750
   0.24988928  0.39701851  0.17575578
   0.26678466  0.12601444  0.46696941
   0.01296752  0.13974673  0.38766403
   0.03793633  0.08825323  0.57726960
   0.43987631  0.25696403  0.76793208
   0.09397023  0.31433061  0.53490062
   0.34547664  0.48502924  0.84339434
   0.42608708  0.47277168  0.65516663
   0.19822902  0.37418339  0.70883161
   0.26410181  0.22106932 -0.10977416
   0.03958592  0.12230617  0.92353947
   0.06065794  0.56581703  0.08362621
   0.36810139  0.69111112  0.27622949
   0.10897549  0.84555282  0.04485319
   0.35539469  0.94956505  0.34533990
   0.40668275  0.89053186  0.14904242
   0.16863337  0.86642476  0.23868676
   0.32545460  0.65997420  0.46930901
   0.06065663  0.67926170  0.41223687
   0.14345526  0.56094733  0.58857675
   0.32485798  0.73547641  0.77449163
   0.13768857  0.83721071  0.53505954
   0.37934450  1.01417924  0.80507199
   0.44085754  0.92684412  0.64087105
   0.17616593  0.96313174  0.69707175
   0.26083903  0.66691427 -0.03255838
   0.00663696  0.66986504  0.91707993
   0.59930301  0.07185253  0.10789972
   0.79861597  0.19035169  0.26544459
   0.60386893  0.31417629  0.03438987
   0.95854506  0.44738671  0.35908013
  -0.01132382  0.36417814  0.19360927
   0.74078696  0.43408037  0.18375100
   0.77484860  0.19685253  0.44235309
   0.51964189  0.12537546  0.42329704
   0.64913140  0.07343784  0.57583738
   0.83282635  0.22432331  0.80370541
   0.56088411  0.32379500  0.54555070
   0.86009760  0.46853173  0.85437831
   0.94315951  0.44456682  0.67200146
   0.69505896  0.42989450  0.69654099
   0.79121945  0.12460155  0.97770862
   0.53020499  0.10606363  0.92500607
   0.52998729  0.56444229  0.06818577
   0.85452629  0.68203576  0.28932713
   0.61392737  0.82433145  0.04016147
   0.84149565  0.94495195  0.34916881
   0.91422679  0.88851705  0.17055690
   0.65177392  0.86578522  0.22905063
   0.81054395  0.59010228  0.45861106
   0.54998264  0.55538839  0.38658679
   0.60053637  0.59464095  0.56921633
   0.81302275  0.72330858  0.78937239
   0.62001258  0.78835472  0.42808077
   0.89215859  0.96029743  0.83939720
   0.93176915  0.88073289  0.66122698
   0.66861758  0.93067679  0.74637244
   0.75617966  0.62927275  0.97369376
   0.50755794  0.69172191  0.88852950
   0.66167748  0.81724657  0.59530999
   0.57839256  0.86953011  0.45569141
   0.83868933  0.22573515  0.09620961
   1.00877199  0.39458411  0.30675315
   0.30538199  0.13132466  0.63614795
   0.23364915  0.72477890  0.74478388
   0.00083965  1.13158120  0.10930121
   0.27722391  1.11967504  0.04399290
   0.64286917  0.36604801  0.85968962
   0.87862035  0.51004961  0.63735512
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832917    0.496577   -0.055636
    -0.000000    9.897944    0.349935
    -0.000000    0.000000   13.954389
   Si   O    H 
    32    64    10
Direct configuration=  1015
   0.17290127  0.17912992 -0.02211701
   0.37005122  0.10875515  0.38185537
   0.10988941  0.40966325  0.11881761
   0.36510402  0.36827671  0.25910530
   0.10078591  0.16714181  0.48402884
   0.41294065  0.15315909  0.85422588
   0.09539935  0.41137232  0.62375210
   0.34544614  0.39978699  0.74469329
   0.10314310  0.68632390  0.00605516
   0.39182943  0.60226735  0.37174181
   0.07686688  0.91307596  0.14389108
   0.33071633  0.85598866  0.25250412
   0.16461026  0.67962817  0.50464549
   0.36411223  0.64057777  0.87230549
   0.07171430  0.93689413  0.61934343
   0.32403403  1.00954145  0.69617420
   0.63187817  0.15716648  1.01099564
   0.85336448  0.11317873  0.36425571
   0.60444015  0.42718323  0.12184887
   0.83767797  0.29780639  0.18502340
   0.62093055  0.18682546  0.49651320
   0.88443524  0.11316237  0.88436386
   0.57438979  0.44644287  0.61693357
   0.76227544  0.37422450  0.79974285
   0.60527352  0.67836943 -0.00667951
   0.92746203  0.59982470  0.37900787
   0.56882958  0.91776752  0.13429556
   0.81158518  0.83822653  0.26036972
   0.65314387  0.63391403  0.46428263
   0.85901407  0.62384536  0.89031654
   0.60440296  0.93660419  0.63675286
   0.83171438  0.87802823  0.75363885
   0.07449214  0.08410965  0.13842341
   0.35588881  0.21033505  0.29273352
   0.11275263  0.31748909  0.02742832
   0.32871512  0.44663206  0.35994974
   0.50544257  0.37862907  0.20541191
   0.24785001  0.39644131  0.17554757
   0.26550332  0.12571701  0.46779600
   0.01185439  0.14093726  0.38697622
   0.03694939  0.08571238  0.57716102
   0.43912757  0.25770336  0.76888928
   0.09364903  0.31424888  0.53608450
   0.34271496  0.48670479  0.84227421
   0.42753711  0.47393271  0.65509423
   0.19602929  0.37363998  0.70814995
   0.26693938  0.22037118 -0.10936907
   0.04036660  0.12380126  0.92389829
   0.06069433  0.56579624  0.08261899
   0.36881572  0.69111366  0.27558860
   0.11031771  0.84671886  0.04461993
   0.35717143  0.95119068  0.34585208
   0.40665051  0.88974289  0.14981938
   0.16809035  0.86710583  0.23853800
   0.32444240  0.66041340  0.46935336
   0.06135656  0.67725083  0.41240228
   0.14379777  0.56115644  0.58901426
   0.32453611  0.73476552  0.77539606
   0.13703727  0.83772528  0.53533994
   0.38050223  1.01479120  0.80417652
   0.44218974  0.92731190  0.64177017
   0.17457473  0.96210578  0.69664289
   0.26105706  0.66695911 -0.03116699
   0.00555632  0.66976866  0.91783073
   0.60040908  0.07118331  0.10708995
   0.79971432  0.19084425  0.26518708
   0.60311047  0.31349250  0.03384262
   0.95858521  0.45040160  0.35873026
  -0.00940520  0.36400910  0.19235797
   0.74151144  0.43400834  0.18389193
   0.77358384  0.19619852  0.44316370
   0.51863654  0.12740490  0.42208109
   0.65004025  0.07273410  0.57712450
   0.83452458  0.22515796  0.80156165
   0.56068768  0.32535958  0.54410682
   0.86177318  0.46845325  0.85368800
   0.94247536  0.44451064  0.67210126
   0.69492194  0.42870639  0.69561596
   0.79243907  0.12305538  0.97870679
   0.53162866  0.10517885  0.92607263
   0.53037713  0.56613382  0.06742345
   0.85284134  0.68191099  0.28966361
   0.61478919  0.82417510  0.03999538
   0.84221715  0.94438315  0.34842748
   0.91441199  0.88811729  0.16891150
   0.65197372  0.86379955  0.22778268
   0.81166460  0.58920448  0.45874796
   0.54995005  0.55546837  0.38474178
   0.60241987  0.59508859  0.56947138
   0.81257936  0.72430785  0.78891123
   0.61988149  0.78893579  0.42653848
   0.89228383  0.96165932  0.83820086
   0.93057745  0.87937648  0.66019500
   0.66733794  0.93048361  0.74531277
   0.75443618  0.62873796  0.97416437
   0.50955373  0.69278172  0.88923312
   0.66457979  0.82087859  0.59813260
   0.57975966  0.87440771  0.45380723
   0.84263069  0.22312865  0.09408730
   0.99663257  0.40016140  0.30903969
   0.31211105  0.13306015  0.63564794
   0.23889439  0.71898519  0.73887235
  -0.00196008  1.12648063  0.10767437
   0.27564393  1.11670259  0.04270851
   0.64725630  0.37523999  0.86115285
   0.87464879  0.50550868  0.64183671
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833097    0.492769   -0.054632
    -0.000000    9.898429    0.348665
    -0.000000    0.000000   13.955946
   Si   O    H 
    32    64    10
Direct configuration=  1016
   0.17273072  0.18003573 -0.02181610
   0.37016099  0.10898213  0.38190396
   0.11060847  0.40743420  0.11925795
   0.36572435  0.36842682  0.25772652
   0.10282084  0.16670299  0.48335555
   0.41234790  0.15251568  0.85474122
   0.09512435  0.41215280  0.62300093
   0.34621349  0.39872913  0.74423639
   0.10324688  0.68550018  0.00571856
   0.39330070  0.60328731  0.37076504
   0.07706284  0.91262196  0.14410876
   0.33094137  0.85566634  0.25208579
   0.16438675  0.67956944  0.50465736
   0.36366450  0.63979868  0.87237090
   0.07197919  0.93624824  0.61981775
   0.32327414  1.00995100  0.69673068
   0.63205132  0.15642216  1.01146989
   0.85162943  0.11348563  0.36539280
   0.60459439  0.42785731  0.12147069
   0.83822458  0.29716408  0.18537991
   0.62079003  0.18682918  0.49643313
   0.88546747  0.11445894  0.88479284
   0.57459351  0.44777867  0.61595543
   0.76125931  0.37389084  0.79945713
   0.60413905  0.67939477 -0.00694072
   0.92676527  0.60177451  0.37907070
   0.56843980  0.91793724  0.13428522
   0.81271431  0.83884490  0.26037894
   0.65327071  0.63547219  0.46461629
   0.85899544  0.62449416  0.88966909
   0.60505376  0.93665463  0.63663795
   0.83145014  0.87822882  0.75436669
   0.07474614  0.08345203  0.13875134
   0.35706869  0.21075237  0.29275742
   0.11313498  0.31787285  0.02732878
   0.32564710  0.44764857  0.36134470
   0.50637478  0.37703109  0.20607920
   0.24609669  0.39534888  0.17572619
   0.26296792  0.12567170  0.46874063
   0.01143426  0.14290233  0.38672857
   0.03588461  0.08370068  0.57685280
   0.43855863  0.25919853  0.76938215
   0.09248942  0.31425836  0.53715250
   0.33988172  0.48810583  0.84131963
   0.42799735  0.47488945  0.65527151
   0.19477220  0.37252601  0.70799290
   0.26937052  0.21963406 -0.10926187
   0.04203676  0.12542191  0.92380591
   0.06060549  0.56582868  0.08237650
   0.36958837  0.69220511  0.27420535
   0.11164526  0.84699553  0.04457228
   0.35872482  0.95289855  0.34634176
   0.40642911  0.88921981  0.15034895
   0.16705671  0.86808564  0.23746809
   0.32344047  0.66161281  0.46980291
   0.06233472  0.67534758  0.41283185
   0.14492787  0.56121440  0.58938947
   0.32384047  0.73401223  0.77590138
   0.13692600  0.83770407  0.53584057
   0.38086039  1.01557832  0.80324523
   0.44299369  0.92790381  0.64177171
   0.17387813  0.96086582  0.69681221
   0.26167713  0.66599526 -0.03043507
   0.00439511  0.66955880  0.91769020
   0.60160015  0.07100327  0.10612904
   0.80040683  0.19116049  0.26501623
   0.60214332  0.31326987  0.03363750
   0.95933378  0.45292213  0.35845308
  -0.00861144  0.36416475  0.19138894
   0.74158508  0.43359451  0.18388325
   0.77180336  0.19615903  0.44486002
   0.51851910  0.12945080  0.42128586
   0.65066436  0.07282103  0.57818350
   0.83668148  0.22529328  0.79957235
   0.56186263  0.32650265  0.54264512
   0.86354917  0.46838993  0.85363562
   0.94137312  0.44393358  0.67103359
   0.69452812  0.42764951  0.69502319
   0.79280311  0.12196496  0.98005599
   0.53256416  0.10469414  0.92737366
   0.53109357  0.56714167  0.06617941
   0.85141848  0.68222964  0.28930931
   0.61672694  0.82439925  0.04010797
   0.84281771  0.94349348  0.34838245
   0.91440986  0.88871297  0.16790396
   0.65199317  0.86190254  0.22642466
   0.81247182  0.58846690  0.45930626
   0.54941549  0.55576047  0.38352820
   0.60385709  0.59616905  0.57022912
   0.81222638  0.72497488  0.78896641
   0.61993215  0.79080772  0.42507818
   0.89261989  0.96296322  0.83677509
   0.92917022  0.87819595  0.65893836
   0.66690314  0.93043185  0.74424338
   0.75366120  0.62880820  0.97460082
   0.51195590  0.69378794  0.89038790
   0.66663983  0.81948374  0.59646654
   0.58567076  0.87275657  0.44930626
   0.84782555  0.22379897  0.09150661
   0.98964885  0.40264009  0.30657437
   0.31778227  0.13646397  0.63653260
   0.24860585  0.71160488  0.73622416
  -0.01214264  1.12537183  0.10131829
   0.27496653  1.11052548  0.04134849
   0.64538867  0.38035453  0.86368707
   0.87073560  0.50219557  0.64341639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833334    0.488559   -0.053242
    -0.000000    9.899238    0.347481
    -0.000000    0.000000   13.957420
   Si   O    H 
    32    64    10
Direct configuration=  1017
   0.17223613  0.18071242 -0.02121241
   0.37051349  0.10886487  0.38178180
   0.11079633  0.40551616  0.11938150
   0.36626537  0.36897810  0.25695016
   0.10400073  0.16646390  0.48295564
   0.41145203  0.15208847  0.85497577
   0.09398309  0.41360502  0.62193739
   0.34669550  0.39778302  0.74412260
   0.10390490  0.68467998  0.00535531
   0.39329769  0.60331291  0.36989428
   0.07678149  0.91222531  0.14442793
   0.33168624  0.85528878  0.25196894
   0.16460163  0.67980382  0.50484712
   0.36275541  0.63931468  0.87238120
   0.07221599  0.93544417  0.62022984
   0.32236239  1.01042170  0.69726495
   0.63191695  0.15618074  1.01133602
   0.84983233  0.11364145  0.36618326
   0.60527175  0.42837557  0.12076432
   0.83937515  0.29673191  0.18545657
   0.62153314  0.18767065  0.49622220
   0.88665801  0.11556611  0.88483824
   0.57480858  0.44880334  0.61492869
   0.75997217  0.37439508  0.79908788
   0.60204141  0.68031892 -0.00726926
   0.92579230  0.60392455  0.37915807
   0.56801641  0.91761580  0.13409980
   0.81356008  0.83987975  0.26026781
   0.65332077  0.63679473  0.46480768
   0.85861900  0.62486199  0.88832810
   0.60540718  0.93709225  0.63653610
   0.83074146  0.87861678  0.75494682
   0.07467983  0.08201193  0.13910026
   0.35830894  0.21115596  0.29301468
   0.11288999  0.31859435  0.02724775
   0.32255997  0.44982252  0.36218035
   0.50768781  0.37574380  0.20594976
   0.24592912  0.39465183  0.17550513
   0.26079665  0.12559285  0.46962469
   0.01196570  0.14360231  0.38684568
   0.03523015  0.08312000  0.57571612
   0.43822686  0.26081882  0.76995061
   0.09067488  0.31433495  0.53797842
   0.33692030  0.48881596  0.84047206
   0.42724218  0.47597920  0.65537115
   0.19415969  0.37073500  0.70804171
   0.27183719  0.21866263 -0.10980833
   0.04296640  0.12697713  0.92335965
   0.06098988  0.56527058  0.08193733
   0.36940602  0.69360740  0.27339492
   0.11286415  0.84686118  0.04451480
   0.36004864  0.95463577  0.34659350
   0.40627438  0.88877865  0.15101047
   0.16633765  0.86923377  0.23641525
   0.32332214  0.66226457  0.47002126
   0.06354630  0.67381681  0.41392250
   0.14567027  0.56223349  0.58951008
   0.32301795  0.73398486  0.77644601
   0.13728262  0.83776137  0.53654361
   0.38093936  1.01523425  0.80248528
   0.44373199  0.92803455  0.64115821
   0.17461636  0.95956784  0.69775131
   0.26182834  0.66497900 -0.03010290
   0.00299238  0.66982697  0.91739715
   0.60216818  0.07146607  0.10484275
   0.80127078  0.19074823  0.26545753
   0.60079522  0.31311278  0.03383193
   0.96061239  0.45499459  0.35871375
  -0.00857155  0.36375373  0.19104450
   0.74176681  0.43393932  0.18443099
   0.77015245  0.19639060  0.44595893
   0.51815941  0.13111891  0.42055722
   0.65127507  0.07263295  0.57874387
   0.83879868  0.22575740  0.79773760
   0.56323439  0.32707740  0.54149004
   0.86544217  0.46894324  0.85349768
   0.94067520  0.44312846  0.67064741
   0.69450169  0.42640902  0.69531126
   0.79215402  0.12153271  0.98128169
   0.53316344  0.10504446  0.92938256
   0.53265661  0.56814064  0.06568680
   0.84944644  0.68244306  0.28881570
   0.61832933  0.82518102  0.04069145
   0.84318882  0.94356041  0.34895640
   0.91460013  0.88884574  0.16684612
   0.65190840  0.86076783  0.22551092
   0.81380339  0.58766086  0.45961615
   0.54990060  0.55542441  0.38193326
   0.60570546  0.59738538  0.57096677
   0.81227793  0.72503766  0.78867175
   0.62065916  0.79254386  0.42323406
   0.89338959  0.96368007  0.83585077
   0.92776409  0.87653300  0.65780458
   0.66697031  0.92990854  0.74276897
   0.75341063  0.62888251  0.97455119
   0.51521464  0.69568908  0.89190621
   0.67130381  0.81390543  0.58972362
   0.59266350  0.87776197  0.44658244
   0.85309262  0.22787289  0.09197663
   0.98557155  0.40105500  0.30202896
   0.32521771  0.13737970  0.63600685
   0.25199855  0.70527725  0.73087642
  -0.01122632  1.11771111  0.09947105
   0.27204479  1.10129525  0.03910150
   0.64216338  0.38828736  0.86631048
   0.86301447  0.49666539  0.64516409
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833337    0.484896   -0.051762
    -0.000000    9.900324    0.346181
    -0.000000    0.000000   13.959382
   Si   O    H 
    32    64    10
Direct configuration=  1018
   0.17187291  0.18076024 -0.02070941
   0.37083886  0.10869290  0.38155237
   0.11046813  0.40403296  0.11927432
   0.36648346  0.36952063  0.25638213
   0.10439951  0.16634842  0.48227341
   0.41048293  0.15126936  0.85559464
   0.09258815  0.41556813  0.62116062
   0.34713152  0.39702789  0.74391942
   0.10409862  0.68382678  0.00502180
   0.39279016  0.60312106  0.36897743
   0.07601752  0.91187318  0.14493548
   0.33282401  0.85469505  0.25226739
   0.16501085  0.68006069  0.50498748
   0.36127968  0.63915657  0.87278561
   0.07192786  0.93406925  0.62072381
   0.32202871  1.01124714  0.69765305
   0.63224305  0.15623536  1.01101693
   0.84837373  0.11389968  0.36705434
   0.60588923  0.42931290  0.12005719
   0.84055768  0.29682262  0.18526836
   0.62201613  0.18887543  0.49635787
   0.88790649  0.11568326  0.88486306
   0.57522857  0.45023770  0.61398106
   0.75882504  0.37478699  0.79850612
   0.60010897  0.68112202 -0.00778483
   0.92480635  0.60640976  0.37883477
   0.56842195  0.91696046  0.13384311
   0.81441249  0.84124249  0.25989853
   0.65330716  0.63800253  0.46457914
   0.85815574  0.62577740  0.88688876
   0.60557688  0.93702066  0.63662986
   0.82908252  0.87928249  0.75533785
   0.07413948  0.08143479  0.13915726
   0.35904457  0.21150955  0.29262215
   0.11366532  0.31886087  0.02667761
   0.31971910  0.45160036  0.36239848
   0.50852289  0.37480499  0.20534387
   0.24685919  0.39439246  0.17589176
   0.25845031  0.12554885  0.47081861
   0.01238328  0.14470783  0.38713761
   0.03458782  0.08252761  0.57429952
   0.43846890  0.26214925  0.77105730
   0.08908510  0.31444844  0.53797344
   0.33499793  0.48951650  0.83966461
   0.42642443  0.47756827  0.65531388
   0.19388018  0.36987450  0.70835616
   0.27405723  0.21795224 -0.11045194
   0.04397420  0.12706856  0.92321120
   0.06137572  0.56498707  0.08202570
   0.36848218  0.69519704  0.27264988
   0.11397521  0.84599745  0.04427698
   0.36163497  0.95585927  0.34641187
   0.40614910  0.88873698  0.15189326
   0.16643568  0.86980985  0.23516701
   0.32287794  0.66236564  0.46975237
   0.06473414  0.67239947  0.41498934
   0.14593762  0.56264171  0.58938096
   0.32227314  0.73362621  0.77664039
   0.13744235  0.83754136  0.53737490
   0.38058378  1.01389192  0.80207633
   0.44434182  0.92846892  0.64013109
   0.17607833  0.95801696  0.69896762
   0.26174121  0.66352750 -0.03021717
   0.00211648  0.67050052  0.91690517
   0.60283179  0.07241219  0.10412442
   0.80212600  0.19092421  0.26609050
   0.60017622  0.31371264  0.03392304
   0.96256562  0.45620744  0.35892617
  -0.00866628  0.36301322  0.19134821
   0.74190471  0.43424117  0.18515393
   0.76779934  0.19698122  0.44665207
   0.51810243  0.13260841  0.41961929
   0.65172123  0.07271881  0.57970875
   0.84072545  0.22584853  0.79618331
   0.56422326  0.32768563  0.54024114
   0.86643935  0.46998164  0.85339976
   0.93978964  0.44189652  0.67033725
   0.69443148  0.42492447  0.69584981
   0.79093073  0.12063310  0.98159866
   0.53283672  0.10480259  0.93110377
   0.53434413  0.56905539  0.06557335
   0.84809833  0.68233625  0.28794877
   0.61948523  0.82562640  0.04155299
   0.84352277  0.94352583  0.34966304
   0.91443229  0.88926283  0.16644205
   0.65181168  0.85981258  0.22490221
   0.81470825  0.58701129  0.46032957
   0.55126631  0.55633498  0.38102659
   0.60796325  0.59869341  0.57123115
   0.81221197  0.72452540  0.78783927
   0.62202975  0.79446030  0.42146111
   0.89427739  0.96554938  0.83553002
   0.92641177  0.87497452  0.65675617
   0.66760707  0.92920008  0.74168185
   0.75382049  0.62933690  0.97449005
   0.51837614  0.69748443  0.89299832
   0.67746770  0.80847029  0.58528428
   0.59774159  0.88539725  0.44540578
   0.85735811  0.23348318  0.09665878
   0.98010147  0.40448851  0.29713877
   0.33213387  0.13827141  0.63713974
   0.25982451  0.69894285  0.73147580
  -0.00216697  1.10771290  0.10552811
   0.26738342  1.09102803  0.03830386
   0.64051963  0.39322442  0.86827755
   0.85694978  0.49230470  0.64350393
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833794    0.481272   -0.049987
    -0.000000    9.900959    0.344586
    -0.000000    0.000000   13.961522
   Si   O    H 
    32    64    10
Direct configuration=  1019
   0.17210677  0.18088848 -0.02020931
   0.37066465  0.10857867  0.38109911
   0.10977263  0.40319743  0.11945458
   0.36623439  0.36971103  0.25570998
   0.10433796  0.16684724  0.48173014
   0.40982037  0.15053500  0.85588276
   0.09083384  0.41787988  0.62044650
   0.34742376  0.39646552  0.74331558
   0.10465343  0.68370966  0.00470167
   0.39224038  0.60254527  0.36804024
   0.07443143  0.91161478  0.14535736
   0.33324400  0.85379101  0.25291251
   0.16564322  0.68022133  0.50546500
   0.36030892  0.63973528  0.87318544
   0.07083533  0.93256495  0.62084265
   0.32201021  1.01217984  0.69732032
   0.63310145  0.15640730  1.01076089
   0.84735640  0.11448550  0.36787061
   0.60615156  0.43022536  0.11928386
   0.84248957  0.29736416  0.18514314
   0.62203771  0.18998091  0.49667125
   0.88928705  0.11629315  0.88497350
   0.57546149  0.45092972  0.61329710
   0.75741147  0.37597503  0.79805555
   0.59826106  0.68159704 -0.00761585
   0.92345432  0.60887569  0.37842832
   0.56894132  0.91654970  0.13374548
   0.81530098  0.84271993  0.25928013
   0.65353906  0.63883443  0.46432939
   0.85752859  0.62683475  0.88504263
   0.60582327  0.93663316  0.63650741
   0.82777454  0.87967082  0.75577935
   0.07417493  0.08121506  0.14003521
   0.35893225  0.21113688  0.29262133
   0.11372796  0.31974325  0.02613800
   0.31735276  0.45220974  0.36224358
   0.50968937  0.37414735  0.20527786
   0.24807017  0.39416806  0.17671118
   0.25701472  0.12514335  0.47174542
   0.01378003  0.14572294  0.38726838
   0.03415029  0.08216411  0.57311340
   0.43871395  0.26355000  0.77243071
   0.08790341  0.31348739  0.53688723
   0.33261499  0.48924601  0.83841158
   0.42516300  0.47872700  0.65580684
   0.19383557  0.36861357  0.70818472
   0.27534591  0.21790153 -0.10996318
   0.04396357  0.12777898  0.92319660
   0.06178139  0.56514474  0.08178235
   0.36768524  0.69625563  0.27235714
   0.11436050  0.84461579  0.04410901
   0.36369115  0.95606453  0.34610061
   0.40600163  0.88827438  0.15288537
   0.16678185  0.87068875  0.23418765
   0.32258838  0.66226900  0.46940839
   0.06649854  0.67077529  0.41546334
   0.14565732  0.56259249  0.58860646
   0.32120533  0.73404354  0.77686516
   0.13817892  0.83681192  0.53831547
   0.37941898  1.01247755  0.80238362
   0.44490002  0.92832371  0.63952030
   0.17802845  0.95675675  0.70034104
   0.26262576  0.66111603 -0.03010394
   0.00111152  0.67229261  0.91627847
   0.60242768  0.07246731  0.10398459
   0.80291306  0.19052276  0.26694007
   0.60052336  0.31431760  0.03430563
   0.96474296  0.45629448  0.35850159
  -0.00846736  0.36234301  0.19201829
   0.74223607  0.43444510  0.18561270
   0.76593867  0.19730443  0.44747320
   0.51819165  0.13356043  0.41913459
   0.65145846  0.07361698  0.58048491
   0.84243441  0.22652408  0.79511118
   0.56603519  0.32706666  0.53907746
   0.86652321  0.47104128  0.85370912
   0.93905686  0.44079960  0.66997262
   0.69449384  0.42326562  0.69668202
   0.79037105  0.11989456  0.98110535
   0.53151305  0.10495518  0.93236062
   0.53611375  0.56903408  0.06537191
   0.84673071  0.68257123  0.28689908
   0.61946743  0.82625436  0.04264742
   0.84420274  0.94467059  0.34985328
   0.91416310  0.88942229  0.16627097
   0.65213298  0.85998857  0.22463761
   0.81534300  0.58746324  0.46085474
   0.55297757  0.55732155  0.37987850
   0.60947791  0.59939985  0.57139723
   0.81196120  0.72410861  0.78686804
   0.62265594  0.79608801  0.41924575
   0.89530624  0.96700064  0.83539271
   0.92489969  0.87343322  0.65625791
   0.66949770  0.92893156  0.74087263
   0.75508971  0.62999386  0.97394796
   0.52101914  0.69836423  0.89369944
   0.68095487  0.80955995  0.58376848
   0.60597731  0.88873546  0.44752628
   0.85837048  0.23617561  0.09967346
   0.97623795  0.41441835  0.29938662
   0.33399126  0.14119083  0.64026733
   0.26907035  0.69536285  0.73376426
  -0.00937124  1.10657937  0.10597232
   0.26257681  1.08461799  0.03588640
   0.64047229  0.39246980  0.86837507
   0.85685173  0.48460603  0.64223911
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834643    0.478210   -0.047883
    -0.000000    9.901162    0.343104
    -0.000000    0.000000   13.963347
   Si   O    H 
    32    64    10
Direct configuration=  1020
   0.17210669  0.18110093 -0.01968589
   0.37043833  0.10806188  0.38088897
   0.10944846  0.40278443  0.11965431
   0.36542108  0.36968547  0.25504866
   0.10351974  0.16723192  0.48155788
   0.40949028  0.14982570  0.85575226
   0.08902106  0.42014163  0.61972034
   0.34728295  0.39562945  0.74292746
   0.10496654  0.68383704  0.00435015
   0.39148737  0.60244231  0.36750519
   0.07308590  0.91131430  0.14574718
   0.33349875  0.85376718  0.25357772
   0.16658009  0.68007015  0.50607623
   0.35919707  0.64055790  0.87382199
   0.06903555  0.93068098  0.62071789
   0.32250251  1.01362923  0.69699257
   0.63381198  0.15681809  1.01049971
   0.84681820  0.11521051  0.36819885
   0.60653333  0.43052864  0.11877841
   0.84439687  0.29780153  0.18542863
   0.62132438  0.19035239  0.49728324
   0.89057776  0.11727854  0.88511129
   0.57551774  0.45176991  0.61283684
   0.75637703  0.37749187  0.79763153
   0.59738461  0.68262763 -0.00744001
   0.92253903  0.61119168  0.37857318
   0.56846789  0.91635842  0.13358022
   0.81621588  0.84400431  0.25832030
   0.65371198  0.64076619  0.46390264
   0.85713626  0.62713248  0.88352337
   0.60654761  0.93589926  0.63646978
   0.82669007  0.88017663  0.75585499
   0.07349829  0.08084159  0.14105407
   0.35838040  0.21223649  0.29252672
   0.11427239  0.32086971  0.02502137
   0.31469368  0.45218802  0.36121333
   0.51016144  0.37383505  0.20514729
   0.24947423  0.39391717  0.17827138
   0.25620820  0.12463108  0.47223177
   0.01473632  0.14643322  0.38769987
   0.03397933  0.08286189  0.57215767
   0.43978625  0.26497433  0.77385758
   0.08711238  0.31323662  0.53535407
   0.33093219  0.48923092  0.83726327
   0.42412668  0.47992544  0.65660080
   0.19342303  0.36733161  0.70840049
   0.27600830  0.21800820 -0.10944648
   0.04388990  0.12814239  0.92290608
   0.06168843  0.56544512  0.08208772
   0.36693770  0.69704090  0.27223193
   0.11468632  0.84335764  0.04366672
   0.36523728  0.95604826  0.34497516
   0.40585572  0.88778851  0.15375305
   0.16739525  0.87160567  0.23369189
   0.32256354  0.66218101  0.46903027
   0.06805809  0.66966325  0.41595230
   0.14590876  0.56273291  0.58724216
   0.32090016  0.73509105  0.77803207
   0.13791062  0.83616045  0.53978938
   0.37915746  1.01141815  0.80324662
   0.44569807  0.92741014  0.63909982
   0.17924837  0.95491559  0.70203909
   0.26423478  0.65923345 -0.03026380
   0.00078196  0.67356986  0.91596842
   0.60185399  0.07242051  0.10482082
   0.80390230  0.19077575  0.26813506
   0.60115125  0.31584000  0.03490858
   0.96736065  0.45657537  0.35841877
  -0.00850207  0.36207241  0.19249043
   0.74200844  0.43441479  0.18589677
   0.76486700  0.19719757  0.44813134
   0.51810300  0.13450190  0.41910077
   0.65182068  0.07389954  0.58127286
   0.84402985  0.22703727  0.79428469
   0.56759068  0.32696392  0.53835502
   0.86625117  0.47224136  0.85391839
   0.93864749  0.43885548  0.66952827
   0.69454840  0.42120056  0.69631362
   0.79020698  0.11956144  0.98044791
   0.52987717  0.10456666  0.93329837
   0.53862117  0.56897341  0.06555335
   0.84536932  0.68236704  0.28639465
   0.61914192  0.82716576  0.04348931
   0.84457035  0.94696386  0.34970695
   0.91379123  0.88843339  0.16630117
   0.65204811  0.85898574  0.22489456
   0.81501543  0.58778898  0.46156653
   0.55484997  0.55870600  0.37907330
   0.61043865  0.60090549  0.57171890
   0.81190081  0.72432683  0.78657622
   0.62366163  0.79806391  0.41733435
   0.89650077  0.96885056  0.83514105
   0.92362599  0.87202563  0.65538166
   0.67108610  0.92891351  0.74059950
   0.75661942  0.63098249  0.97261574
   0.52247567  0.69921385  0.89424958
   0.68289190  0.81314099  0.58596272
   0.61370840  0.88254322  0.44922676
   0.85984694  0.23405887  0.09741371
   0.97636851  0.42324982  0.29852629
   0.33573376  0.14556624  0.64277875
   0.26689219  0.68634418  0.72730575
  -0.01228166  1.10671568  0.10604026
   0.25881817  1.07827576  0.03532980
   0.64059541  0.39140801  0.86596179
   0.85856408  0.47454560  0.64095978
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835551    0.474775   -0.045820
    -0.000000    9.900732    0.341657
    -0.000000    0.000000   13.965411
   Si   O    H 
    32    64    10
Direct configuration=  1021
   0.17217556  0.18135829 -0.01971547
   0.36960998  0.10664286  0.38076172
   0.10922769  0.40294071  0.12017159
   0.36431690  0.36935416  0.25485264
   0.10212969  0.16799990  0.48164836
   0.40912871  0.14862025  0.85553530
   0.08753274  0.42197285  0.61938082
   0.34698669  0.39489775  0.74269725
   0.10515885  0.68365516  0.00438314
   0.39108147  0.60186211  0.36717896
   0.07120761  0.91121892  0.14583961
   0.33357341  0.85398849  0.25464250
   0.16793328  0.67998570  0.50681259
   0.35728022  0.64113727  0.87412438
   0.06668092  0.92903030  0.62093293
   0.32304159  1.01526079  0.69666040
   0.63427670  0.15717299  1.01017755
   0.84692744  0.11527259  0.36859340
   0.60665817  0.43040729  0.11837272
   0.84619324  0.29857626  0.18579763
   0.62055882  0.19026680  0.49748434
   0.89178546  0.11813914  0.88518142
   0.57481329  0.45238049  0.61297090
   0.75638883  0.37916606  0.79736839
   0.59713795  0.68323305 -0.00747849
   0.92227986  0.61241713  0.37855976
   0.56816798  0.91612791  0.13323377
   0.81668436  0.84519583  0.25738225
   0.65416607  0.64278192  0.46253242
   0.85603108  0.62693746  0.88202025
   0.60706322  0.93533690  0.63613550
   0.82588917  0.88041773  0.75567134
   0.07246968  0.08013266  0.14150834
   0.35762242  0.21308780  0.29204409
   0.11551284  0.32198788  0.02404175
   0.31236238  0.45207819  0.35905454
   0.51074122  0.37398725  0.20532318
   0.25177321  0.39458575  0.17937918
   0.25697396  0.12341241  0.47197793
   0.01476836  0.14781417  0.38775062
   0.03480225  0.08319513  0.57147991
   0.44172717  0.26633334  0.77497228
   0.08708532  0.31352174  0.53368029
   0.32872299  0.48892205  0.83623471
   0.42264351  0.48044882  0.65672578
   0.19340593  0.36488794  0.70834245
   0.27626043  0.21863356 -0.10835139
   0.04307311  0.12844965  0.92237452
   0.06110182  0.56583231  0.08268657
   0.36670722  0.69814407  0.27256165
   0.11469444  0.84201974  0.04336814
   0.36591067  0.95585404  0.34339620
   0.40651103  0.88744565  0.15411189
   0.16860527  0.87209335  0.23360595
   0.32351802  0.66166104  0.46814610
   0.06859948  0.66841436  0.41593485
   0.14655917  0.56276609  0.58563073
   0.32041539  0.73529216  0.77879842
   0.13810517  0.83533732  0.54105854
   0.37903213  1.00995244  0.80468882
   0.44585212  0.92678886  0.63886965
   0.17971741  0.95323779  0.70392501
   0.26539155  0.65766311 -0.03038237
   0.00056996  0.67499448  0.91555145
   0.60102518  0.07158847  0.10591418
   0.80445141  0.19067084  0.26923890
   0.60172355  0.31777109  0.03495620
   0.96873715  0.45660268  0.35851932
  -0.00777457  0.36200378  0.19321810
   0.74266682  0.43481799  0.18597544
   0.76402839  0.19783459  0.44847576
   0.51832157  0.13508474  0.41946044
   0.65334227  0.07356117  0.58206404
   0.84557898  0.22732965  0.79372488
   0.57007778  0.32710771  0.53745650
   0.86529632  0.47317108  0.85414872
   0.93931575  0.43754118  0.66883806
   0.69383733  0.41858242  0.69530887
   0.78952664  0.11930955  0.97967232
   0.52870261  0.10444886  0.93402063
   0.54154129  0.56839215  0.06621459
   0.84421103  0.68257296  0.28552035
   0.61859882  0.82724933  0.04417181
   0.84473553  0.94891181  0.34901459
   0.91302513  0.88688242  0.16660107
   0.65219760  0.85911218  0.22541085
   0.81355133  0.58819572  0.46202685
   0.55603684  0.56031649  0.37794655
   0.61168797  0.60256382  0.57175576
   0.81145925  0.72381833  0.78658351
   0.62504967  0.79980570  0.41528646
   0.89754449  0.97073234  0.83481115
   0.92215764  0.87125757  0.65491754
   0.67297957  0.92961424  0.74017193
   0.75742397  0.63182668  0.97152225
   0.52195687  0.69902509  0.89471883
   0.68231208  0.82213043  0.58855206
   0.62269159  0.87464649  0.45506415
   0.86235264  0.22615232  0.09289235
   0.97721922  0.42664548  0.28984409
   0.33523344  0.14901201  0.64548755
   0.26920219  0.69027794  0.72651295
  -0.01308400  1.10709018  0.10741596
   0.25436524  1.07294603  0.03321735
   0.64111611  0.38958846  0.86314803
   0.85434148  0.46782090  0.63674251
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836531    0.471552   -0.043460
    -0.000000    9.900097    0.339934
    -0.000000    0.000000   13.967835
   Si   O    H 
    32    64    10
Direct configuration=  1022
   0.17282272  0.18181599 -0.01946365
   0.36925804  0.10518938  0.38061787
   0.10836550  0.40362486  0.12087347
   0.36278571  0.36926516  0.25575560
   0.10040771  0.16880602  0.48190515
   0.40891023  0.14755425  0.85501761
   0.08630332  0.42343317  0.61933590
   0.34640768  0.39428267  0.74223453
   0.10585303  0.68285334  0.00483281
   0.39095062  0.60079432  0.36717590
   0.06941348  0.91151997  0.14553929
   0.33403774  0.85451068  0.25562190
   0.16950551  0.67980241  0.50746020
   0.35590282  0.64158701  0.87421067
   0.06485173  0.92739711  0.62112211
   0.32407319  1.01680841  0.69654944
   0.63490730  0.15774525  1.01006870
   0.84751102  0.11518814  0.36833156
   0.60622817  0.43063296  0.11804311
   0.84697851  0.29940312  0.18568980
   0.61982810  0.18977364  0.49790629
   0.89261247  0.11952785  0.88493445
   0.57419000  0.45253817  0.61311291
   0.75650265  0.38127591  0.79673008
   0.59726956  0.68354259 -0.00691994
   0.92302205  0.61245833  0.37855855
   0.56739554  0.91571773  0.13267014
   0.81710730  0.84578977  0.25675239
   0.65440563  0.64441734  0.46139498
   0.85495110  0.62680113  0.88064830
   0.60745271  0.93420640  0.63575932
   0.82576526  0.88084011  0.75549930
   0.07155396  0.07969304  0.14149840
   0.35698108  0.21308099  0.29158250
   0.11689451  0.32276826  0.02257196
   0.31157996  0.45193151  0.35710963
   0.51169954  0.37443847  0.20599898
   0.25334794  0.39464526  0.17982422
   0.25859950  0.12140730  0.47041556
   0.01456387  0.14863889  0.38747195
   0.03557783  0.08274019  0.57088221
   0.44353280  0.26770255  0.77617448
   0.08781762  0.31338497  0.53193514
   0.32726977  0.48882639  0.83531543
   0.42244008  0.48008874  0.65642779
   0.19305052  0.36248360  0.70869018
   0.27563350  0.21931576 -0.10661372
   0.04296943  0.12866107  0.92219700
   0.06041330  0.56606675  0.08311038
   0.36699990  0.69887224  0.27241022
   0.11505120  0.84116192  0.04351244
   0.36697432  0.95609512  0.34197380
   0.40650749  0.88772946  0.15459885
   0.16904301  0.87226958  0.23401648
   0.32513010  0.66210426  0.46661862
   0.06874474  0.66737501  0.41581037
   0.14791985  0.56252484  0.58426051
   0.32024628  0.73469947  0.77860218
   0.13815600  0.83409864  0.54226868
   0.37929703  1.00905493  0.80621665
   0.44532383  0.92610420  0.63906081
   0.17992326  0.95184869  0.70612299
   0.26594465  0.65594875 -0.03013397
   0.00048528  0.67693687  0.91490862
   0.60012332  0.07074983  0.10722201
   0.80568556  0.19169791  0.26998656
   0.60231036  0.31933669  0.03450752
   0.97000446  0.45708741  0.35807415
  -0.00640263  0.36106797  0.19426045
   0.74360798  0.43560271  0.18586788
   0.76354687  0.19785181  0.44891589
   0.51924712  0.13487568  0.41997071
   0.65433173  0.07330027  0.58245097
   0.84735864  0.22788756  0.79379655
   0.57257660  0.32848686  0.53653284
   0.86358430  0.47304010  0.85426248
   0.93959491  0.43582407  0.66813684
   0.69300997  0.41592302  0.69458463
   0.78849338  0.11893650  0.97903452
   0.52704042  0.10421791  0.93486189
   0.54353739  0.56798698  0.06768528
   0.84251235  0.68335973  0.28448650
   0.61798797  0.82658852  0.04426837
   0.84502712  0.95037576  0.34810397
   0.91216132  0.88549645  0.16612634
   0.65217591  0.85900119  0.22576509
   0.81131218  0.58908939  0.46317651
   0.55688580  0.56219581  0.37649328
   0.61241844  0.60280720  0.57192540
   0.81123573  0.72291292  0.78637172
   0.62593981  0.80042306  0.41309679
   0.89835375  0.97194122  0.83430558
   0.92097072  0.87018421  0.65471842
   0.67496261  0.92989450  0.74016852
   0.75796332  0.63212131  0.97067749
   0.52076315  0.69829379  0.89517768
   0.67976322  0.83337310  0.58995811
   0.62886350  0.87313922  0.46409932
   0.86127985  0.22002578  0.09163563
   0.97806531  0.42970514  0.28572851
   0.33014592  0.15365603  0.64994397
   0.27542999  0.69873753  0.72904611
  -0.01236460  1.10731256  0.10827298
   0.24879568  1.06804735  0.03092143
   0.64033686  0.38913242  0.86134567
   0.85358271  0.46217427  0.63429236
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837166    0.468788   -0.040544
    -0.000000    9.899675    0.338244
    -0.000000    0.000000   13.970044
   Si   O    H 
    32    64    10
Direct configuration=  1023
   0.17322867  0.18284586 -0.01968426
   0.36908769  0.10365200  0.38067161
   0.10759052  0.40454795  0.12135140
   0.36195364  0.36860246  0.25630024
   0.09901042  0.16908901  0.48244218
   0.40808493  0.14685724  0.85485139
   0.08576388  0.42443833  0.61930281
   0.34589229  0.39356216  0.74176872
   0.10711016  0.68233184  0.00519896
   0.39078107  0.59935915  0.36739828
   0.06775843  0.91153103  0.14555563
   0.33413656  0.85466931  0.25614564
   0.17061003  0.67925834  0.50796990
   0.35464349  0.64208106  0.87398030
   0.06291279  0.92571099  0.62141746
   0.32588080  1.01781654  0.69669979
   0.63558640  0.15882709  1.00974648
   0.84834381  0.11495376  0.36803102
   0.60604951  0.43071753  0.11828499
   0.84762740  0.30038713  0.18590393
   0.61901176  0.18861673  0.49804214
   0.89317260  0.12091781  0.88428430
   0.57363048  0.45263404  0.61329292
   0.75714410  0.38264920  0.79666915
   0.59785703  0.68370058 -0.00634135
   0.92412398  0.61198158  0.37846872
   0.56713612  0.91495240  0.13246785
   0.81752917  0.84632844  0.25561492
   0.65455282  0.64588113  0.46009057
   0.85457734  0.62628650  0.87905999
   0.60756818  0.93359990  0.63572656
   0.82626305  0.88075669  0.75530117
   0.07063036  0.07890643  0.14168927
   0.35683091  0.21224814  0.29143796
   0.11782630  0.32372533  0.02177309
   0.31086118  0.45300892  0.35496340
   0.51317714  0.37559046  0.20684047
   0.25424826  0.39484149  0.17988142
   0.25986358  0.11979935  0.46876090
   0.01370124  0.14856433  0.38664914
   0.03661945  0.08120509  0.57035764
   0.44556215  0.26973136  0.77706590
   0.08856716  0.31348358  0.53074313
   0.32703038  0.48835230  0.83542351
   0.42203713  0.47895738  0.65583707
   0.19259648  0.36020596  0.70836458
   0.27470651  0.21982011 -0.10474442
   0.04318220  0.12837603  0.92166723
   0.06059565  0.56583869  0.08353278
   0.36794034  0.69964666  0.27259233
   0.11536707  0.84010672  0.04367179
   0.36882926  0.95580487  0.34062793
   0.40615161  0.88839695  0.15497959
   0.17014465  0.87254925  0.23425032
   0.32721479  0.66356225  0.46505491
   0.06872752  0.66634036  0.41529653
   0.14976179  0.56231297  0.58300808
   0.32078785  0.73458295  0.77850810
   0.13823826  0.83333879  0.54322735
   0.37974332  1.00832536  0.80728228
   0.44520104  0.92534780  0.63926231
   0.17976866  0.95094750  0.70776312
   0.26624174  0.65428502 -0.03026503
  -0.00020574  0.67826662  0.91391286
   0.59940802  0.07066264  0.10840992
   0.80659378  0.19220481  0.27071320
   0.60185418  0.32044047  0.03458333
   0.97144439  0.45790769  0.35688386
  -0.00557259  0.36130203  0.19544395
   0.74492804  0.43655827  0.18587222
   0.76307516  0.19689932  0.44907418
   0.52015370  0.13509460  0.42014460
   0.65435564  0.07388663  0.58299764
   0.84859047  0.22799408  0.79400031
   0.57392909  0.33030834  0.53635865
   0.86229282  0.47234553  0.85379759
   0.93978738  0.43433725  0.66743814
   0.69215654  0.41417526  0.69297056
   0.78848656  0.11881137  0.97871523
   0.52610419  0.10487074  0.93591146
   0.54437546  0.56713509  0.06904934
   0.84178552  0.68405944  0.28390172
   0.61750330  0.82605627  0.04416606
   0.84518434  0.95185145  0.34756597
   0.91140841  0.88419719  0.16544601
   0.65251527  0.85874892  0.22607360
   0.80924925  0.59002888  0.46467258
   0.55797203  0.56536249  0.37501648
   0.61259256  0.60351012  0.57204319
   0.81037192  0.72211799  0.78655394
   0.62714132  0.80139861  0.41150326
   0.89905419  0.97288214  0.83370529
   0.92036600  0.86971496  0.65467279
   0.67587387  0.92983827  0.74047987
   0.75819144  0.63180468  0.97048187
   0.51934103  0.69671248  0.89539760
   0.67883335  0.83969601  0.58714912
   0.63367516  0.86411179  0.46993093
   0.85762062  0.22233016  0.09578125
   0.97944161  0.43248286  0.28840732
   0.32451761  0.15730018  0.65364677
   0.27223576  0.69732673  0.72584986
  -0.01000160  1.11189164  0.10805623
   0.24087358  1.06511460  0.02790598
   0.63504217  0.38593551  0.86287223
   0.85544339  0.45540379  0.63447695
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838042    0.466345   -0.036804
    -0.000000    9.898984    0.337310
    -0.000000    0.000000   13.972152
   Si   O    H 
    32    64    10
Direct configuration=  1024
   0.17330973  0.18392971 -0.01975857
   0.36863088  0.10194217  0.38077418
   0.10775049  0.40543060  0.12142716
   0.36196646  0.36735969  0.25727551
   0.09787119  0.16994614  0.48285305
   0.40754211  0.14637819  0.85457501
   0.08513011  0.42538322  0.61934288
   0.34525082  0.39311968  0.74154022
   0.10807533  0.68218929  0.00543033
   0.39076932  0.59826087  0.36748557
   0.06702232  0.91155734  0.14527797
   0.33438538  0.85520941  0.25644396
   0.17217377  0.67928021  0.50812994
   0.35346291  0.64220146  0.87367932
   0.06151281  0.92478111  0.62195297
   0.32765731  1.01827457  0.69689822
   0.63610218  0.15922068  1.00937803
   0.84958942  0.11485713  0.36744937
   0.60547092  0.43028476  0.11847014
   0.84797858  0.30106569  0.18656531
   0.61789988  0.18718603  0.49888707
   0.89351569  0.12198995  0.88295782
   0.57278803  0.45284010  0.61316169
   0.75765419  0.38400260  0.79678064
   0.59932008  0.68355401 -0.00569924
   0.92570541  0.61133197  0.37839921
   0.56702870  0.91391639  0.13234544
   0.81779750  0.84662244  0.25490644
   0.65412291  0.64689627  0.45891924
   0.85455703  0.62633011  0.87801805
   0.60747506  0.93360060  0.63587507
   0.82729033  0.88055255  0.75523323
   0.07065585  0.07788710  0.14185926
   0.35657291  0.21166741  0.29120963
   0.11885716  0.32495822  0.02184652
   0.31101592  0.45415649  0.35267944
   0.51478874  0.37687304  0.20784463
   0.25334670  0.39583129  0.17960839
   0.26049273  0.11759744  0.46666880
   0.01201909  0.14908343  0.38584000
   0.03734134  0.07870676  0.56983472
   0.44799721  0.27079450  0.77753315
   0.08982323  0.31464591  0.52978259
   0.32792536  0.48770798  0.83584067
   0.42071608  0.47884966  0.65464340
   0.19168649  0.35842538  0.70765283
   0.27399955  0.21991136 -0.10296759
   0.04376959  0.12885695  0.92138839
   0.06121133  0.56520595  0.08452023
   0.36902765  0.70082317  0.27297735
   0.11511533  0.83919451  0.04450736
   0.37091396  0.95556687  0.33940284
   0.40583480  0.88909564  0.15513144
   0.17122617  0.87256011  0.23451089
   0.32928592  0.66519914  0.46394706
   0.06855404  0.66597533  0.41518531
   0.15118722  0.56273337  0.58239566
   0.32260846  0.73441821  0.77855304
   0.13877421  0.83188317  0.54424441
   0.38051936  1.00815055  0.80834033
   0.44446761  0.92504084  0.63883073
   0.17801170  0.94946914  0.70862946
   0.26542623  0.65317245 -0.03003184
  -0.00004867  0.67949070  0.91349377
   0.59916242  0.07112415  0.10934123
   0.80777636  0.19391359  0.27063690
   0.60139760  0.32090238  0.03440017
   0.97223450  0.45943462  0.35590021
  -0.00561954  0.36152694  0.19649692
   0.74654113  0.43684394  0.18561689
   0.76340686  0.19556417  0.44949257
   0.52178088  0.13569886  0.41991713
   0.65429895  0.07563708  0.58347922
   0.84903939  0.22867345  0.79429287
   0.57507057  0.33259127  0.53662823
   0.86147886  0.47163317  0.85382634
   0.94021043  0.43270204  0.66705121
   0.69126574  0.41254664  0.69094905
   0.78965271  0.11917795  0.97824455
   0.52471899  0.10598394  0.93658158
   0.54475264  0.56694470  0.07034661
   0.84212222  0.68500594  0.28335518
   0.61662565  0.82602393  0.04389630
   0.84515783  0.95282157  0.34678614
   0.91057235  0.88273772  0.16458280
   0.65286998  0.85932201  0.22662640
   0.80879903  0.59077578  0.46549815
   0.56004170  0.56891603  0.37398317
   0.61321236  0.60335770  0.57225298
   0.80904586  0.72034507  0.78700746
   0.62855293  0.80157239  0.41042446
   0.89915204  0.97304416  0.83331191
   0.91929730  0.86899962  0.65507763
   0.67533903  0.93066938  0.74075414
   0.75818856  0.63173622  0.97022765
   0.51778507  0.69477975  0.89488317
   0.68301710  0.83566263  0.57871855
   0.63681767  0.85082566  0.47008199
   0.85473565  0.22628863  0.09747534
   0.98271151  0.43398907  0.29671576
   0.31746905  0.16096314  0.65600684
   0.27248404  0.70026746  0.72486347
  -0.01317730  1.11716853  0.10539255
   0.23666980  1.06634434  0.02625083
   0.63194384  0.38624523  0.86234687
   0.85653142  0.44863346  0.63249808
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839091    0.463312   -0.032528
    -0.000000    9.898169    0.336597
    -0.000000    0.000000   13.974680
   Si   O    H 
    32    64    10
Direct configuration=  1025
   0.17321884  0.18493924 -0.01968843
   0.36893474  0.10042138  0.38062509
   0.10815021  0.40657467  0.12097364
   0.36244848  0.36667790  0.25851986
   0.09656526  0.17079894  0.48340450
   0.40718401  0.14623425  0.85438147
   0.08442886  0.42561061  0.61923665
   0.34354025  0.39304462  0.74146211
   0.10905714  0.68200146  0.00546507
   0.39077601  0.59727415  0.36742538
   0.06719805  0.91177425  0.14498766
   0.33403679  0.85561743  0.25674943
   0.17319141  0.67970338  0.50816392
   0.35271281  0.64238178  0.87315795
   0.06085686  0.92390329  0.62259257
   0.32885904  1.01855542  0.69703179
   0.63577867  0.15937681  1.00865620
   0.85140385  0.11462217  0.36691180
   0.60439678  0.42957012  0.11865795
   0.84852526  0.30180173  0.18740235
   0.61700179  0.18578088  0.49977101
   0.89385272  0.12345388  0.88189114
   0.57142421  0.45340165  0.61307879
   0.75814439  0.38434636  0.79720665
   0.60064806  0.68405707 -0.00509804
   0.92733596  0.61104088  0.37836109
   0.56706543  0.91332810  0.13267150
   0.81809285  0.84714873  0.25437354
   0.65395489  0.64752919  0.45778835
   0.85535827  0.62623591  0.87717755
   0.60747428  0.93410246  0.63595706
   0.82897896  0.88067386  0.75581869
   0.06960111  0.07747672  0.14112465
   0.35615953  0.21088903  0.29042603
   0.12028984  0.32640762  0.02152283
   0.31107305  0.45436589  0.35025091
   0.51531021  0.37795443  0.20938808
   0.25168189  0.39707435  0.17858760
   0.26065467  0.11548187  0.46441374
   0.01057495  0.15003114  0.38530743
   0.03760055  0.07612593  0.56917731
   0.45020547  0.27096166  0.77781096
   0.09096868  0.31575171  0.52926465
   0.32944195  0.48644614  0.83659844
   0.41915094  0.47872922  0.65391901
   0.19011217  0.35815466  0.70621977
   0.27260733  0.22035379 -0.10113254
   0.04423313  0.12943930  0.92133457
   0.06176869  0.56438207  0.08491424
   0.36953507  0.70134620  0.27334461
   0.11459197  0.83797848  0.04513934
   0.37299314  0.95554908  0.33853788
   0.40574594  0.89022592  0.15502919
   0.17157118  0.87216537  0.23457068
   0.33138747  0.66694698  0.46273795
   0.06777378  0.66591512  0.41517434
   0.15174798  0.56273445  0.58245988
   0.32410410  0.73375098  0.77887483
   0.13981393  0.83023163  0.54522985
   0.38256109  1.00739358  0.80889198
   0.44295602  0.92425023  0.63888502
   0.17562524  0.94775964  0.70922249
   0.26374556  0.65184381 -0.02990582
  -0.00002335  0.68093879  0.91336655
   0.59914396  0.07133533  0.11034280
   0.80853738  0.19501096  0.27060184
   0.60046374  0.32126753  0.03451119
   0.97244915  0.46107563  0.35622164
  -0.00535021  0.36146454  0.19722786
   0.74734112  0.43752240  0.18477860
   0.76455757  0.19452722  0.44950277
   0.52286116  0.13554293  0.41979110
   0.65459090  0.07709532  0.58438988
   0.84965239  0.22884942  0.79414875
   0.57617423  0.33467630  0.53663155
   0.86102502  0.47061047  0.85401200
   0.94081179  0.43093839  0.66732631
   0.69063342  0.41044887  0.68915684
   0.79072383  0.11868389  0.97719514
   0.52257889  0.10736942  0.93640096
   0.54436458  0.56659802  0.07150503
   0.84292986  0.68614323  0.28253086
   0.61592048  0.82632839  0.04336469
   0.84488796  0.95338318  0.34577576
   0.90984192  0.88244678  0.16307576
   0.65355311  0.85952250  0.22714435
   0.80915661  0.59274893  0.46618047
   0.56205723  0.57199260  0.37366252
   0.61404213  0.60345229  0.57232965
   0.80779669  0.71948507  0.78722352
   0.63023030  0.80070400  0.40951629
   0.89917962  0.97339631  0.83206418
   0.91835278  0.86878528  0.65511890
   0.67425584  0.93126320  0.74079828
   0.75828761  0.63190446  0.97029628
   0.51462980  0.69340983  0.89441423
   0.68512255  0.82669106  0.56888780
   0.64211851  0.84062825  0.47090059
   0.84895742  0.23112553  0.09865448
   0.99030474  0.42499501  0.29250686
   0.31123631  0.16147207  0.65986222
   0.27563989  0.70557601  0.72430214
  -0.00774532  1.12055629  0.10514119
   0.23581044  1.06628990  0.02549983
   0.63369450  0.38763701  0.86153728
   0.85759222  0.44000321  0.62872545
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839687    0.460089   -0.028330
    -0.000000    9.897451    0.336149
    -0.000000    0.000000   13.977475
   Si   O    H 
    32    64    10
Direct configuration=  1026
   0.17254476  0.18541940 -0.01966451
   0.36999531  0.09952059  0.38003647
   0.10857902  0.40779512  0.12016155
   0.36311811  0.36605288  0.25949813
   0.09562247  0.17133912  0.48425874
   0.40668920  0.14661024  0.85454458
   0.08375903  0.42476017  0.61906765
   0.34198927  0.39294635  0.74162083
   0.11000595  0.68204761  0.00547133
   0.39070702  0.59651190  0.36734020
   0.06686472  0.91190950  0.14480103
   0.33380788  0.85595309  0.25688749
   0.17489817  0.68064557  0.50806387
   0.35200262  0.64187516  0.87287993
   0.06055286  0.92393940  0.62298599
   0.32961309  1.01853840  0.69733251
   0.63563501  0.15967632  1.00788739
   0.85256129  0.11434047  0.36633766
   0.60411125  0.42894995  0.11887682
   0.84911525  0.30226232  0.18813804
   0.61661890  0.18440377  0.50040890
   0.89424516  0.12479059  0.88065168
   0.57068937  0.45389132  0.61286129
   0.75897916  0.38390982  0.79726300
   0.60181866  0.68446210 -0.00457110
   0.92854845  0.61089723  0.37815796
   0.56706189  0.91275271  0.13287347
   0.81768502  0.84752633  0.25425190
   0.65402241  0.64774727  0.45657975
   0.85614172  0.62614682  0.87637227
   0.60747928  0.93499482  0.63538863
   0.83124631  0.87995564  0.75621621
   0.06845443  0.07662353  0.14023346
   0.35465799  0.21031246  0.28970940
   0.12155489  0.32740908  0.02160402
   0.31147756  0.45410745  0.34768731
   0.51540233  0.37950213  0.21064875
   0.24964581  0.39915904  0.17743122
   0.26046815  0.11291534  0.46313614
   0.00922179  0.15023375  0.38468370
   0.03815207  0.07359237  0.56868667
   0.45174238  0.27077281  0.77820840
   0.09213026  0.31742213  0.52921204
   0.33130482  0.48483760  0.83703059
   0.41770165  0.47814863  0.65349446
   0.18883124  0.35915885  0.70501515
   0.27216671  0.22088300 -0.09989775
   0.04308234  0.13031661  0.92101561
   0.06274086  0.56325017  0.08546306
   0.36954565  0.70059319  0.27447781
   0.11397411  0.83646203  0.04574250
   0.37449139  0.95486919  0.33791752
   0.40564083  0.89222843  0.15458544
   0.17197422  0.87218412  0.23444315
   0.33315543  0.66820970  0.46205377
   0.06750398  0.66657192  0.41511905
   0.15153772  0.56314176  0.58243611
   0.32514670  0.73396483  0.77880286
   0.14037959  0.82862677  0.54614640
   0.38489186  1.00608370  0.80942220
   0.44163615  0.92330185  0.63839782
   0.17255165  0.94654576  0.70887398
   0.26254238  0.65084410 -0.03031161
   0.00029584  0.68230975  0.91337890
   0.59926992  0.07138130  0.11096536
   0.80879424  0.19611806  0.27019426
   0.60005701  0.32043346  0.03453127
   0.97243132  0.46173087  0.35730954
  -0.00452852  0.36128290  0.19808580
   0.74882361  0.43778847  0.18368444
   0.76543184  0.19420299  0.44965223
   0.52386709  0.13508935  0.41917176
   0.65370178  0.07839467  0.58493006
   0.84936154  0.22918711  0.79409729
   0.57695815  0.33735438  0.53712902
   0.86102576  0.46953258  0.85377029
   0.94086382  0.42966537  0.66699069
   0.69083604  0.40838935  0.68770392
   0.79098063  0.11811472  0.97635894
   0.51974873  0.10996492  0.93634145
   0.54397768  0.56635511  0.07238704
   0.84409109  0.68662263  0.28244848
   0.61567966  0.82785054  0.04326278
   0.84504902  0.95407377  0.34473169
   0.90886874  0.88214131  0.16112867
   0.65388538  0.86031950  0.22678014
   0.80984300  0.59509596  0.46641079
   0.56410048  0.57381119  0.37341091
   0.61445110  0.60345063  0.57248961
   0.80579712  0.71922428  0.78742580
   0.63106173  0.79935160  0.40891033
   0.89900668  0.97414563  0.83080608
   0.91711764  0.86927534  0.65545657
   0.67261519  0.93203881  0.74111831
   0.75748209  0.63222779  0.97077806
   0.51214677  0.69127375  0.89413209
   0.68498879  0.81987206  0.56419821
   0.64953370  0.83448068  0.47296008
   0.84250993  0.23400542  0.09799256
   0.99854470  0.41724040  0.28921886
   0.30483009  0.15803822  0.66302108
   0.27473809  0.70953925  0.72515868
  -0.00193097  1.12487321  0.10620792
   0.23944250  1.06240876  0.03009944
   0.63871040  0.38590003  0.85846290
   0.86116649  0.43009178  0.62665075
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840064    0.456168   -0.023878
    -0.000000    9.896766    0.335535
    -0.000000    0.000000   13.980519
   Si   O    H 
    32    64    10
Direct configuration=  1027
   0.17197997  0.18544001 -0.01923683
   0.37127908  0.09856610  0.37960811
   0.10986154  0.40959823  0.11968096
   0.36391034  0.36537805  0.26020792
   0.09553257  0.17224028  0.48506246
   0.40664132  0.14788743  0.85483560
   0.08365780  0.42322198  0.61887845
   0.34106604  0.39283777  0.74197929
   0.11023805  0.68246547  0.00586764
   0.39075803  0.59597950  0.36747920
   0.06729078  0.91173482  0.14437180
   0.33364846  0.85638107  0.25658972
   0.17633559  0.68103800  0.50763487
   0.35161654  0.64121157  0.87267304
   0.06033015  0.92413988  0.62344512
   0.33011743  1.01797734  0.69795945
   0.63544645  0.15989768  1.00779505
   0.85363748  0.11410803  0.36610879
   0.60453056  0.42822573  0.11903543
   0.84926801  0.30251945  0.18855948
   0.61683957  0.18333964  0.50131470
   0.89384182  0.12537484  0.87961722
   0.56949815  0.45387826  0.61276473
   0.75973100  0.38323719  0.79688441
   0.60335711  0.68483066 -0.00411200
   0.92883800  0.61068376  0.37810058
   0.56672757  0.91223917  0.13321881
   0.81721817  0.84731957  0.25416077
   0.65352195  0.64812663  0.45529099
   0.85702291  0.62618408  0.87604726
   0.60628045  0.93599558  0.63416481
   0.83368500  0.87958951  0.75653258
   0.06752896  0.07536075  0.13989070
   0.35283793  0.20905856  0.28858599
   0.12303766  0.32822256  0.02266804
   0.31129376  0.45507907  0.34485917
   0.51489812  0.38080743  0.21199575
   0.24687810  0.40108804  0.17582204
   0.25933048  0.11132295  0.46160495
   0.00822017  0.14988528  0.38463139
   0.03911903  0.07146150  0.56827881
   0.45312777  0.26995665  0.77822309
   0.09261842  0.31928826  0.52915741
   0.33283066  0.48372476  0.83764389
   0.41639512  0.47797731  0.65312015
   0.18785256  0.36028981  0.70393801
   0.27230565  0.22206877 -0.09928380
   0.04181462  0.13109161  0.92070503
   0.06408009  0.56232276  0.08595871
   0.36971258  0.69975757  0.27561826
   0.11344031  0.83530843  0.04683130
   0.37706941  0.95395294  0.33758705
   0.40467282  0.89440385  0.15397370
   0.17164932  0.87169818  0.23418984
   0.33292057  0.66903712  0.46141496
   0.06766690  0.66748609  0.41571752
   0.15194107  0.56266662  0.58285241
   0.32589291  0.73425627  0.77872712
   0.14090657  0.82680712  0.54701522
   0.38769451  1.00462583  0.80991456
   0.44160213  0.92231458  0.63800609
   0.17023860  0.94539036  0.70921019
   0.26161840  0.65034165 -0.03095130
   0.00080379  0.68350135  0.91369175
   0.59940228  0.07106785  0.11163864
   0.80937078  0.19665389  0.26952663
   0.60038266  0.32023320  0.03435704
   0.97177138  0.46124671  0.35754234
  -0.00340883  0.36118980  0.19882499
   0.75010534  0.43736820  0.18273491
   0.76625224  0.19342219  0.44944647
   0.52404051  0.13392610  0.41865151
   0.65193132  0.07951454  0.58646526
   0.84822620  0.22939178  0.79432023
   0.57751772  0.33886606  0.53779965
   0.86048072  0.46877059  0.85299703
   0.94095157  0.42900520  0.66666751
   0.69097400  0.40668949  0.68666772
   0.79109499  0.11726985  0.97534871
   0.51768302  0.11317169  0.93544435
   0.54395282  0.56694115  0.07318140
   0.84538173  0.68641409  0.28332266
   0.61458539  0.82889956  0.04294355
   0.84432408  0.95487606  0.34368965
   0.90821119  0.88163955  0.15966854
   0.65355811  0.86122974  0.22599014
   0.81058114  0.59779625  0.46592106
   0.56452380  0.57573463  0.37326682
   0.61444366  0.60330586  0.57192237
   0.80411851  0.71838442  0.78724344
   0.63149549  0.79722389  0.40868047
   0.89909959  0.97527449  0.82932079
   0.91599756  0.86989837  0.65571438
   0.67098419  0.93257937  0.74058521
   0.75668555  0.63247586  0.97164186
   0.51043207  0.68990904  0.89386354
   0.68144497  0.82159631  0.56515567
   0.65815960  0.83637233  0.47502165
   0.83740131  0.23695875  0.09650558
   1.00264522  0.41428614  0.29012281
   0.29796771  0.15423480  0.66472184
   0.26990107  0.71131773  0.72286027
  -0.00168212  1.13055284  0.10488611
   0.24484278  1.06266080  0.03452437
   0.64130092  0.38461306  0.85666346
   0.86066856  0.41998150  0.62510961
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839914    0.452089   -0.019840
    -0.000000    9.896132    0.335099
    -0.000000    0.000000   13.983504
   Si   O    H 
    32    64    10
Direct configuration=  1028
   0.17115172  0.18549550 -0.01905479
   0.37249009  0.09830658  0.37907752
   0.11105657  0.41150568  0.11959145
   0.36467982  0.36424393  0.26072633
   0.09498229  0.17260387  0.48575690
   0.40615166  0.14939395  0.85526654
   0.08359792  0.42146713  0.61860087
   0.34060031  0.39276064  0.74227104
   0.11077546  0.68267962  0.00622678
   0.39083446  0.59540833  0.36766147
   0.06769190  0.91134903  0.14386414
   0.33367992  0.85654235  0.25605112
   0.17750053  0.68176632  0.50701009
   0.35158616  0.64079530  0.87282670
   0.06041347  0.92415494  0.62359123
   0.33045777  1.01687790  0.69880890
   0.63492253  0.15927945  1.00787041
   0.85420891  0.11421646  0.36588212
   0.60456225  0.42715697  0.11972443
   0.84869040  0.30255934  0.18885170
   0.61753196  0.18320970  0.50243201
   0.89328124  0.12556934  0.87842025
   0.56799554  0.45381187  0.61243655
   0.76037306  0.38238281  0.79629732
   0.60458945  0.68519387 -0.00374323
   0.92867289  0.61059575  0.37836143
   0.56672213  0.91200197  0.13346670
   0.81650018  0.84739376  0.25434726
   0.65326454  0.64847826  0.45443761
   0.85827941  0.62599411  0.87556690
   0.60496883  0.93664475  0.63326379
   0.83555385  0.87981194  0.75657843
   0.06640638  0.07473568  0.13900776
   0.35231155  0.20770768  0.28768312
   0.12458716  0.32878366  0.02387607
   0.31096231  0.45544896  0.34278459
   0.51450780  0.38172145  0.21311172
   0.24565369  0.40314296  0.17476199
   0.25828301  0.10955773  0.46052639
   0.00779686  0.14975351  0.38456488
   0.04003550  0.06895444  0.56756909
   0.45490732  0.26945868  0.77815151
   0.09297979  0.32029311  0.52868514
   0.33425777  0.48244426  0.83836217
   0.41484130  0.47723426  0.65320169
   0.18693104  0.36092031  0.70347207
   0.27203072  0.22267474 -0.09818114
   0.04068652  0.13245613  0.92031759
   0.06478764  0.56175132  0.08602665
   0.36946444  0.69833565  0.27696733
   0.11280349  0.83378404  0.04755263
   0.37953942  0.95313113  0.33754533
   0.40342608  0.89554121  0.15370519
   0.17096807  0.87126626  0.23373537
   0.33275696  0.66965238  0.46103564
   0.06780524  0.66789805  0.41652421
   0.15310506  0.56158134  0.58349156
   0.32537001  0.73529552  0.77820166
   0.14122684  0.82533632  0.54738945
   0.39022199  1.00348289  0.81015667
   0.44183402  0.92126710  0.63761088
   0.16897349  0.94493643  0.70970094
   0.26234687  0.64963357 -0.03160310
   0.00135813  0.68411311  0.91320955
   0.59879583  0.07098821  0.11182651
   0.81035183  0.19744998  0.26926517
   0.60112511  0.32003528  0.03400710
   0.97172070  0.45966000  0.35731726
  -0.00222758  0.36094187  0.19955166
   0.75066652  0.43713358  0.18218913
   0.76648331  0.19287325  0.44951463
   0.52279625  0.13270322  0.41828347
   0.65027425  0.08008862  0.58795815
   0.84697999  0.22959631  0.79455516
   0.57897370  0.33950326  0.53811295
   0.86005513  0.46752641  0.85201330
   0.94118822  0.42893847  0.66643652
   0.69087185  0.40494772  0.68608061
   0.79141781  0.11690166  0.97433506
   0.51605153  0.11630155  0.93475589
   0.54433320  0.56795409  0.07445022
   0.84719547  0.68646661  0.28425745
   0.61374121  0.83051126  0.04205323
   0.84405200  0.95477365  0.34294501
   0.90787765  0.88180233  0.15814820
   0.65274986  0.86301609  0.22522058
   0.81167599  0.60056440  0.46571021
   0.56427476  0.57780275  0.37312891
   0.61378167  0.60332577  0.57084409
   0.80286802  0.71827076  0.78710064
   0.63197679  0.79557537  0.40852274
   0.89881219  0.97666117  0.82812391
   0.91468511  0.86978635  0.65597196
   0.67027161  0.93246275  0.74008870
   0.75524375  0.63249050  0.97180610
   0.50842460  0.68847558  0.89377102
   0.67634589  0.82748477  0.57233022
   0.66453998  0.83802640  0.47212331
   0.83494563  0.24042878  0.09358417
   1.00148375  0.42059327  0.29724731
   0.29149691  0.14841422  0.66577889
   0.26827175  0.71229141  0.72477243
  -0.00342290  1.13386458  0.10276959
   0.24565604  1.06902647  0.03788034
   0.64147870  0.38417985  0.85759239
   0.86029990  0.41349762  0.62461365
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839477    0.448288   -0.015906
    -0.000000    9.895262    0.334954
    -0.000000    0.000000   13.986549
   Si   O    H 
    32    64    10
Direct configuration=  1029
   0.16987799  0.18492074 -0.01936923
   0.37347326  0.09837438  0.37849272
   0.11183480  0.41320307  0.11924029
   0.36516167  0.36293814  0.26121642
   0.09528611  0.17248997  0.48590169
   0.40606738  0.15125217  0.85554446
   0.08381334  0.42010741  0.61842730
   0.34042183  0.39304326  0.74277157
   0.11071126  0.68264959  0.00631966
   0.39112035  0.59539310  0.36831549
   0.06797501  0.91097237  0.14346506
   0.33331072  0.85706068  0.25541661
   0.17772580  0.68231139  0.50616146
   0.35206643  0.64049635  0.87246739
   0.06100349  0.92402190  0.62362462
   0.33081860  1.01463112  0.69932362
   0.63418866  0.15815532  1.00778000
   0.85425730  0.11422638  0.36575435
   0.60471771  0.42543596  0.12022688
   0.84840220  0.30241545  0.18906931
   0.61863675  0.18389863  0.50330742
   0.89259770  0.12482174  0.87719040
   0.56669246  0.45362430  0.61274009
   0.75986339  0.38079400  0.79556510
   0.60524581  0.68553910 -0.00355202
   0.92749934  0.61035067  0.37879397
   0.56702844  0.91259256  0.13331743
   0.81530495  0.84762263  0.25462236
   0.65280031  0.64782454  0.45423936
   0.85941081  0.62617901  0.87492103
   0.60431770  0.93667948  0.63251580
   0.83693121  0.87966371  0.75643481
   0.06549964  0.07474013  0.13775745
   0.35282875  0.20574490  0.28660835
   0.12566605  0.32886174  0.02558131
   0.31066175  0.45645014  0.34159083
   0.51421168  0.38197230  0.21394541
   0.24524963  0.40545834  0.17436798
   0.25699714  0.10897894  0.45985613
   0.00791353  0.14947601  0.38506978
   0.04068679  0.06638526  0.56670834
   0.45596293  0.26806100  0.77729375
   0.09271458  0.32221662  0.52843555
   0.33419671  0.48231023  0.83857082
   0.41319654  0.47568608  0.65298897
   0.18602677  0.36080574  0.70303745
   0.27235492  0.22299325 -0.09758331
   0.03981471  0.13392562  0.91990824
   0.06586710  0.56251657  0.08607149
   0.36909452  0.69765018  0.27812295
   0.11260447  0.83232874  0.04802064
   0.38137654  0.95142634  0.33710322
   0.40195630  0.89669344  0.15351683
   0.16979874  0.87093235  0.23347827
   0.33238963  0.67038218  0.46133226
   0.06924689  0.66918532  0.41717999
   0.15459031  0.56052895  0.58381430
   0.32480191  0.73632479  0.77737749
   0.14232653  0.82441037  0.54798138
   0.39226750  1.00197569  0.80970714
   0.44166472  0.91975614  0.63724786
   0.16865706  0.94360309  0.70983535
   0.26344357  0.64932684 -0.03191137
   0.00159282  0.68471350  0.91295349
   0.59871544  0.07120833  0.11151746
   0.81105084  0.19764843  0.26891169
   0.60169421  0.31927562  0.03445656
   0.97299238  0.45788767  0.35782176
  -0.00016532  0.36123782  0.20007934
   0.75126045  0.43760536  0.18138003
   0.76706288  0.19223394  0.44934438
   0.52140000  0.13101357  0.41799849
   0.64813545  0.08023391  0.58918083
   0.84570699  0.23036277  0.79496055
   0.58034157  0.33905855  0.53796189
   0.86048372  0.46680049  0.85131980
   0.94014996  0.42852060  0.66632817
   0.69100293  0.40326892  0.68599768
   0.79116226  0.11689240  0.97303421
   0.51567146  0.11926427  0.93482356
   0.54469708  0.56861676  0.07601265
   0.84947630  0.68674899  0.28525458
   0.61341239  0.83121956  0.04136012
   0.84433975  0.95470351  0.34197434
   0.90789591  0.88123487  0.15728047
   0.65320643  0.86455659  0.22523301
   0.81302039  0.60276602  0.46504043
   0.56334009  0.57949911  0.37331762
   0.61326864  0.60367380  0.56991093
   0.80213438  0.71840579  0.78682922
   0.63251354  0.79549813  0.40874485
   0.89824400  0.97801618  0.82656190
   0.91336387  0.87014415  0.65601104
   0.67031259  0.93177118  0.74018011
   0.75484638  0.63204020  0.97188216
   0.50700138  0.68806257  0.89418226
   0.67246891  0.83728287  0.58004529
   0.66909073  0.84291175  0.46234807
   0.83564686  0.24340795  0.09391282
   1.00147773  0.42647139  0.30212065
   0.28938073  0.14804790  0.66487813
   0.26846912  0.71318781  0.72746884
  -0.00547736  1.13065646  0.10383635
   0.24440311  1.08245507  0.03915106
   0.63950602  0.38411416  0.85885772
   0.86179681  0.41213102  0.62745036
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838825    0.445025   -0.012039
    -0.000000    9.894526    0.334488
    -0.000000    0.000000   13.989199
   Si   O    H 
    32    64    10
Direct configuration=  1030
   0.16852888  0.18445939 -0.01975223
   0.37404450  0.09841652  0.37805215
   0.11169738  0.41511015  0.11884060
   0.36477730  0.36189262  0.26127544
   0.09532283  0.17222043  0.48581613
   0.40640909  0.15302405  0.85559797
   0.08437238  0.41879516  0.61813257
   0.34004359  0.39363104  0.74336843
   0.11083747  0.68205175  0.00607005
   0.39134613  0.59558026  0.36881130
   0.06817593  0.90999654  0.14313584
   0.33310819  0.85737870  0.25502332
   0.17874647  0.68297824  0.50493489
   0.35207849  0.64002934  0.87183197
   0.06179877  0.92353623  0.62340497
   0.32993382  1.01113925  0.69966911
   0.63338563  0.15661235  1.00782247
   0.85440063  0.11423976  0.36584665
   0.60464035  0.42379968  0.12128047
   0.84813146  0.30256527  0.18950540
   0.61964671  0.18538739  0.50401402
   0.89172359  0.12356080  0.87644215
   0.56505658  0.45399750  0.61296569
   0.75910342  0.37862458  0.79487098
   0.60551308  0.68596322 -0.00392974
   0.92667055  0.61018430  0.37909274
   0.56695574  0.91340322  0.13312744
   0.81427228  0.84738511  0.25482221
   0.65228864  0.64611608  0.45415323
   0.86027022  0.62593784  0.87477709
   0.60380547  0.93666035  0.63259924
   0.83767627  0.87905083  0.75599831
   0.06411223  0.07540606  0.13599365
   0.35345670  0.20285591  0.28556602
   0.12697954  0.32923408  0.02724384
   0.31084773  0.45736645  0.34089695
   0.51341030  0.38148735  0.21487716
   0.24593479  0.40634614  0.17450166
   0.25598647  0.10847555  0.45944679
   0.00820282  0.14797428  0.38640894
   0.04132755  0.06436163  0.56583773
   0.45628251  0.26629010  0.77619421
   0.09411834  0.32455404  0.52807786
   0.33309829  0.48264713  0.83860177
   0.41131565  0.47419596  0.65237870
   0.18599298  0.36109778  0.70288962
   0.27343392  0.22365510 -0.09811427
   0.03909443  0.13544716  0.91965317
   0.06685753  0.56397085  0.08584699
   0.36899839  0.69617929  0.27878027
   0.11291145  0.83059734  0.04874198
   0.38337512  0.94954011  0.33620669
   0.40052883  0.89873538  0.15377292
   0.16864081  0.87016566  0.23308639
   0.33146460  0.67089718  0.46183776
   0.07083355  0.67025089  0.41754051
   0.15531420  0.55877397  0.58474017
   0.32447107  0.73727201  0.77640592
   0.14345156  0.82453136  0.54901369
   0.39334556  1.00139324  0.80974722
   0.44109801  0.91863612  0.63691384
   0.16907555  0.94245867  0.70970177
   0.26461163  0.64890722 -0.03256120
   0.00239375  0.68462814  0.91303659
   0.59893046  0.07231701  0.11110845
   0.81131711  0.19770184  0.26836716
   0.60243296  0.31736913  0.03487888
   0.97424761  0.45650002  0.35907951
   0.00190272  0.36109699  0.20074690
   0.75148477  0.43803621  0.18094545
   0.76684562  0.19088212  0.44978414
   0.51985100  0.12976919  0.41790038
   0.64638871  0.07977680  0.59116047
   0.84373722  0.23149783  0.79555275
   0.58057555  0.33818797  0.53759973
   0.86178343  0.46666766  0.85110889
   0.93956199  0.42822311  0.66635383
   0.69125737  0.40141242  0.68588179
   0.79143195  0.11693288  0.97198262
   0.51648737  0.12170272  0.93510962
   0.54541480  0.56990379  0.07751525
   0.85094541  0.68673449  0.28614950
   0.61276209  0.83224608  0.04074545
   0.84505254  0.95425264  0.34131730
   0.90872590  0.87969410  0.15705519
   0.65365789  0.86577774  0.22585137
   0.81431038  0.60451396  0.46458171
   0.56188703  0.58021012  0.37401335
   0.61187111  0.60346560  0.56922081
   0.80076428  0.71835957  0.78657855
   0.63310647  0.79580520  0.40987407
   0.89811079  0.97913171  0.82527129
   0.91241929  0.87055482  0.65613764
   0.67114367  0.93036000  0.73975538
   0.75522357  0.63155532  0.97216067
   0.50657889  0.68676530  0.89487706
   0.67287030  0.84229093  0.58450815
   0.67269811  0.85276636  0.45405725
   0.84220050  0.24493078  0.09264683
   1.00832305  0.42553471  0.29318157
   0.29072213  0.14966536  0.66312390
   0.26508107  0.71213845  0.72893228
  -0.00896693  1.12553826  0.10535963
   0.24253197  1.09440303  0.03926683
   0.63698867  0.38560291  0.85796267
   0.86422316  0.41082120  0.62725131
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837854    0.441787   -0.008400
    -0.000000    9.894427    0.334044
    -0.000000    0.000000   13.992173
   Si   O    H 
    32    64    10
Direct configuration=  1031
   0.16706958  0.18471761 -0.02016857
   0.37435625  0.09806958  0.37746286
   0.11100723  0.41646284  0.11901944
   0.36446892  0.36086622  0.26097597
   0.09537781  0.17233163  0.48535058
   0.40608177  0.15449946  0.85524585
   0.08550588  0.41804969  0.61763857
   0.33968010  0.39379634  0.74370597
   0.11153079  0.68155199  0.00564982
   0.39213116  0.59612806  0.36922174
   0.06878462  0.90874769  0.14297933
   0.33247858  0.85745277  0.25460217
   0.17938048  0.68410705  0.50372898
   0.35242061  0.63994919  0.87128713
   0.06183796  0.92291491  0.62323588
   0.32939135  1.00708505  0.69980532
   0.63174473  0.15506879  1.00798348
   0.85477598  0.11452451  0.36594680
   0.60479473  0.42246714  0.12198595
   0.84762701  0.30301719  0.18992915
   0.62101251  0.18674074  0.50400090
   0.89082514  0.12241654  0.87608909
   0.56355660  0.45463790  0.61336965
   0.75817917  0.37632215  0.79396166
   0.60517794  0.68657920 -0.00472063
   0.92614443  0.61000970  0.37929160
   0.56754981  0.91439272  0.13278079
   0.81377666  0.84694417  0.25497415
   0.65168089  0.64410084  0.45415519
   0.86090037  0.62537672  0.87498649
   0.60314089  0.93642418  0.63269612
   0.83801916  0.87801934  0.75505645
   0.06292046  0.07577584  0.13435340
   0.35301770  0.20039867  0.28456162
   0.12902452  0.32958396  0.02847211
   0.31146179  0.45872245  0.34097390
   0.51312525  0.38029301  0.21543695
   0.24773578  0.40680831  0.17536818
   0.25465384  0.10825700  0.45952920
   0.00944923  0.14665988  0.38765776
   0.04195290  0.06272799  0.56544684
   0.45631649  0.26520058  0.77527727
   0.09529198  0.32668340  0.52770901
   0.33206931  0.48311062  0.83846591
   0.40978418  0.47294792  0.65149765
   0.18668890  0.36220429  0.70301414
   0.27531239  0.22422863 -0.09946770
   0.03837765  0.13694771  0.91957991
   0.06777567  0.56598983  0.08540308
   0.36854961  0.69487310  0.27985862
   0.11367885  0.82829721  0.04941144
   0.38504818  0.94771190  0.33553027
   0.40020643  0.90047598  0.15380878
   0.16737350  0.86943131  0.23268621
   0.33035191  0.67082455  0.46254949
   0.07208976  0.67077930  0.41763373
   0.15627902  0.55709784  0.58530585
   0.32423452  0.73837375  0.77567768
   0.14567861  0.82404831  0.54983144
   0.39446022  1.00143308  0.81015435
   0.44078345  0.91787992  0.63616660
   0.16937932  0.94067902  0.70987184
   0.26559384  0.64862469 -0.03300644
   0.00360230  0.68464998  0.91337876
   0.59963267  0.07316473  0.11097897
   0.81128544  0.19760946  0.26796984
   0.60279864  0.31550789  0.03543710
   0.97522203  0.45562540  0.36035480
   0.00417132  0.36066165  0.20121764
   0.75113721  0.43884067  0.18041377
   0.76626851  0.18985698  0.45037454
   0.51838537  0.12886499  0.41836391
   0.64490105  0.07927770  0.59254101
   0.84200400  0.23262974  0.79622028
   0.58031052  0.33709474  0.53691554
   0.86281851  0.46697322  0.85042632
   0.93847375  0.42779132  0.66664606
   0.69146738  0.39967549  0.68604815
   0.79028136  0.11717086  0.97096206
   0.51702577  0.12415142  0.93543725
   0.54659944  0.57015230  0.07866107
   0.85288954  0.68797003  0.28711429
   0.61152587  0.83336073  0.04021574
   0.84446534  0.95380027  0.34106590
   0.90925776  0.87779062  0.15687222
   0.65443285  0.86725383  0.22687821
   0.81580536  0.60620345  0.46365643
   0.55990667  0.58038681  0.37506184
   0.61072590  0.60294852  0.56898462
   0.80025910  0.71911985  0.78633457
   0.63313286  0.79612957  0.41040830
   0.89831699  0.98036858  0.82451679
   0.91284156  0.87066810  0.65551931
   0.67189834  0.92904395  0.73947009
   0.75621535  0.63148018  0.97189529
   0.50549987  0.68538084  0.89616644
   0.67920069  0.83906170  0.58171940
   0.67960237  0.86749736  0.45068434
   0.85209186  0.24722595  0.09251320
   1.01265103  0.42734028  0.28723320
   0.29564425  0.14796597  0.65883197
   0.26013002  0.70817731  0.72513475
  -0.01932566  1.12461812  0.10692527
   0.24371819  1.09965604  0.04196237
   0.63717991  0.38411701  0.85646546
   0.86071579  0.40887905  0.62500210
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836958    0.438234   -0.004800
    -0.000000    9.894441    0.333575
    -0.000000    0.000000   13.994964
   Si   O    H 
    32    64    10
Direct configuration=  1032
   0.16519945  0.18560397 -0.02083395
   0.37427597  0.09822172  0.37727978
   0.11029206  0.41786045  0.11897124
   0.36468465  0.35943064  0.26033429
   0.09633827  0.17192263  0.48473264
   0.40590208  0.15546449  0.85507202
   0.08685530  0.41717834  0.61737055
   0.33933205  0.39360491  0.74365175
   0.11195897  0.68087387  0.00508811
   0.39277519  0.59695248  0.36983378
   0.06906317  0.90779283  0.14256034
   0.33165844  0.85714300  0.25436077
   0.17877320  0.68523975  0.50293523
   0.35289983  0.64001105  0.87100686
   0.06293194  0.92197303  0.62329637
   0.32897165  1.00268112  0.70048056
   0.63098133  0.15389821  1.00853931
   0.85542239  0.11515984  0.36652167
   0.60464874  0.42182883  0.12272327
   0.84776200  0.30434475  0.18957344
   0.62162244  0.18792679  0.50374967
   0.88975016  0.12163930  0.87603179
   0.56284898  0.45585805  0.61380732
   0.75722052  0.37413939  0.79308134
   0.60461691  0.68592635 -0.00510069
   0.92603890  0.61012327  0.37907379
   0.56851110  0.91548033  0.13229916
   0.81351865  0.84666654  0.25488480
   0.65165829  0.64269460  0.45470494
   0.86163016  0.62569058  0.87532234
   0.60236794  0.93633889  0.63313658
   0.83834730  0.87600177  0.75450617
   0.06221737  0.07629975  0.13265475
   0.35167953  0.19805128  0.28352889
   0.13078840  0.32911452  0.02951296
   0.31165810  0.46050032  0.34161257
   0.51288572  0.37917698  0.21566572
   0.25009025  0.40704591  0.17625387
   0.25259532  0.10793852  0.46005849
   0.01105447  0.14571299  0.38835610
   0.04272413  0.06160841  0.56442875
   0.45583146  0.26472566  0.77445304
   0.09552851  0.32761312  0.52695845
   0.33137146  0.48360082  0.83863592
   0.40986814  0.47171814  0.65140615
   0.18738672  0.36303707  0.70357883
   0.27640694  0.22448216 -0.10058748
   0.03802369  0.13893880  0.91951087
   0.06819667  0.56863785  0.08517534
   0.36800081  0.69493974  0.28116553
   0.11469282  0.82697862  0.05040534
   0.38692485  0.94565177  0.33533135
   0.39993812  0.90207686  0.15422528
   0.16614021  0.86900583  0.23263026
   0.32852161  0.67040965  0.46281065
   0.07338482  0.67093604  0.41771827
   0.15679159  0.55646749  0.58599359
   0.32453126  0.73940075  0.77433289
   0.14741360  0.82385747  0.55047349
   0.39594957  1.00201610  0.80995030
   0.43966096  0.91758412  0.63581788
   0.17048018  0.93920594  0.70976710
   0.26605637  0.64833688 -0.03293146
   0.00414284  0.68425419  0.91379359
   0.60040893  0.07371130  0.11055456
   0.81069410  0.19722873  0.26767525
   0.60348071  0.31401157  0.03554594
   0.97670856  0.45484678  0.36143603
   0.00619092  0.36057365  0.20183890
   0.74929269  0.43962371  0.17901180
   0.76559850  0.18929451  0.45041220
   0.51825045  0.12957015  0.41875037
   0.64336201  0.07993998  0.59337968
   0.84002143  0.23397649  0.79664175
   0.57937148  0.33672791  0.53588656
   0.86413702  0.46732849  0.84929854
   0.93770890  0.42736700  0.66662823
   0.69163700  0.39876048  0.68616139
   0.78939438  0.11787878  0.96977727
   0.51702067  0.12663139  0.93556135
   0.54850676  0.57088769  0.07965936
   0.85497588  0.68983672  0.28828141
   0.61054627  0.83538252  0.03982255
   0.84373389  0.95371713  0.34092762
   0.91025546  0.87589393  0.15710483
   0.65437014  0.86960687  0.22751831
   0.81745220  0.60861677  0.46283400
   0.55805811  0.58001233  0.37539646
   0.60892059  0.60286228  0.56858068
   0.80074168  0.72007495  0.78575843
   0.63375684  0.79688208  0.41109445
   0.89919035  0.98147909  0.82340925
   0.91400524  0.87119236  0.65449482
   0.67262134  0.92769346  0.73877684
   0.75845151  0.63152319  0.97150066
   0.50455657  0.68450923  0.89765490
   0.68582850  0.83313054  0.57926279
   0.68233210  0.87338105  0.44027793
   0.85910167  0.24894894  0.09160653
   1.01217196  0.43053394  0.29047813
   0.30036096  0.14161642  0.65690607
   0.25697711  0.70774845  0.72429322
  -0.02751341  1.11949054  0.10937013
   0.24580250  1.09991935  0.04409449
   0.63577921  0.38293740  0.85366606
   0.85976412  0.40712182  0.62524751
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836068    0.434885   -0.001584
    -0.000000    9.894802    0.332963
    -0.000000    0.000000   13.997798
   Si   O    H 
    32    64    10
Direct configuration=  1033
   0.16370297  0.18681733 -0.02148175
   0.37441795  0.09799029  0.37747605
   0.11074763  0.41897031  0.11882994
   0.36509826  0.35805080  0.25963554
   0.09724826  0.17150271  0.48415274
   0.40590397  0.15660904  0.85473349
   0.08814427  0.41660329  0.61704534
   0.33904349  0.39298407  0.74380510
   0.11208519  0.68006355  0.00472269
   0.39319376  0.59779580  0.37019973
   0.06966040  0.90740753  0.14211884
   0.33020109  0.85694748  0.25384304
   0.17799688  0.68566973  0.50234588
   0.35296756  0.64014071  0.87041843
   0.06458899  0.92108904  0.62365098
   0.32851924  0.99831951  0.70114857
   0.62986607  0.15241120  1.00889303
   0.85519220  0.11561872  0.36705066
   0.60490853  0.42093930  0.12314851
   0.84839290  0.30573468  0.18902707
   0.62256389  0.18928338  0.50361352
   0.88865222  0.12157777  0.87633596
   0.56212472  0.45722435  0.61414422
   0.75612061  0.37235501  0.79253091
   0.60409211  0.68495365 -0.00500951
   0.92642936  0.61005398  0.37892346
   0.56914943  0.91653265  0.13182993
   0.81388222  0.84598383  0.25478327
   0.65170350  0.64164521  0.45509133
   0.86219081  0.62590388  0.87578649
   0.60225994  0.93539107  0.63343504
   0.83814166  0.87405937  0.75417360
   0.06144982  0.07677468  0.13138386
   0.35057371  0.19626941  0.28340835
   0.13176049  0.32890861  0.03012995
   0.31330547  0.46226087  0.34245796
   0.51267260  0.37829574  0.21535706
   0.25285500  0.40720580  0.17727369
   0.25111645  0.10773322  0.46041607
   0.01176334  0.14546557  0.38899578
   0.04345637  0.06094235  0.56345900
   0.45516881  0.26457513  0.77386824
   0.09574495  0.32775039  0.52515774
   0.33084324  0.48332700  0.83866936
   0.41054037  0.47089250  0.65126848
   0.18806392  0.36353173  0.70433307
   0.27659628  0.22431971 -0.10186969
   0.03782272  0.14043383  0.91876471
   0.06800345  0.57115791  0.08524078
   0.36779141  0.69588259  0.28182312
   0.11587733  0.82670409  0.05130429
   0.38874251  0.94350477  0.33489268
   0.39964915  0.90373077  0.15464329
   0.16531878  0.86853987  0.23282608
   0.32758909  0.66968017  0.46286023
   0.07378101  0.67121033  0.41779164
   0.15734109  0.55604797  0.58689046
   0.32399992  0.73959770  0.77308203
   0.14863782  0.82437877  0.55138243
   0.39662072  1.00336332  0.80947028
   0.43888728  0.91703155  0.63532610
   0.17133233  0.93724194  0.70931935
   0.26665154  0.64827172 -0.03276016
   0.00372695  0.68483459  0.91393407
   0.60130590  0.07449033  0.10971520
   0.81049930  0.19668423  0.26672517
   0.60391842  0.31279908  0.03527768
   0.97817098  0.45375928  0.36226429
   0.00887154  0.36068666  0.20178150
   0.74761538  0.44030989  0.17773934
   0.76582585  0.18841866  0.45015048
   0.51861222  0.12956874  0.41940769
   0.64155047  0.08124088  0.59419135
   0.83900005  0.23531574  0.79700607
   0.57878547  0.33645122  0.53534373
   0.86499171  0.46768635  0.84787071
   0.93634146  0.42657568  0.66592634
   0.69148811  0.39848199  0.68610141
   0.78771581  0.11899815  0.96865872
   0.51659098  0.12930094  0.93566119
   0.55027663  0.57152570  0.08058281
   0.85684096  0.69136320  0.28896215
   0.60915556  0.83672649  0.03948236
   0.84288838  0.95431936  0.34115903
   0.91020908  0.87319757  0.15725072
   0.65440755  0.87136354  0.22879490
   0.81818781  0.61045004  0.46191429
   0.55646245  0.57915309  0.37637006
   0.60632753  0.60277207  0.56799462
   0.80189337  0.72024404  0.78520162
   0.63434210  0.79822157  0.41211972
   0.89981461  0.98199227  0.82294372
   0.91502750  0.87164318  0.65299207
   0.67308043  0.92560764  0.73807191
   0.76098996  0.63126457  0.97059180
   0.50391621  0.68429588  0.89886452
   0.68448588  0.82698536  0.57590395
   0.68447900  0.87201909  0.42808471
   0.86159843  0.25297153  0.09262955
   1.00851687  0.43463199  0.29828737
   0.30640092  0.13237185  0.65430269
   0.25601474  0.71201976  0.72957498
  -0.03242568  1.11297515  0.11068542
   0.25121898  1.09313423  0.04659173
   0.63499965  0.38074156  0.85355750
   0.86168214  0.40647352  0.62629627
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835392    0.431228    0.001757
    -0.000000    9.895128    0.332321
    -0.000000    0.000000   14.000335
   Si   O    H 
    32    64    10
Direct configuration=  1034
   0.16271468  0.18793272 -0.02134057
   0.37448480  0.09722112  0.37754317
   0.11154458  0.41983258  0.11924478
   0.36522329  0.35712910  0.25885944
   0.09862517  0.17099767  0.48322729
   0.40547933  0.15705484  0.85443155
   0.08945502  0.41656351  0.61684251
   0.33973700  0.39220816  0.74398316
   0.11203609  0.67950538  0.00414549
   0.39341050  0.59872651  0.37043506
   0.06931795  0.90725625  0.14224898
   0.32862020  0.85667701  0.25294337
   0.17696705  0.68568098  0.50248453
   0.35306855  0.64058536  0.87013471
   0.06645897  0.92090637  0.62359032
   0.32899435  0.99419582  0.70192042
   0.62895382  0.15120256  1.00899516
   0.85471378  0.11627466  0.36737763
   0.60523048  0.42037692  0.12332185
   0.84892408  0.30686137  0.18792131
   0.62340931  0.18985455  0.50333051
   0.88804230  0.12151069  0.87634385
   0.56238198  0.45849706  0.61446616
   0.75528573  0.37121788  0.79224720
   0.60311505  0.68428958 -0.00493717
   0.92726851  0.61015286  0.37901272
   0.56921975  0.91752424  0.13151472
   0.81521482  0.84636169  0.25442166
   0.65238340  0.64075958  0.45566788
   0.86308087  0.62655720  0.87605264
   0.60254792  0.93434150  0.63377174
   0.83675029  0.87259740  0.75373983
   0.06061842  0.07722987  0.13012179
   0.34965862  0.19543038  0.28304441
   0.13305769  0.32915301  0.03018318
   0.31608589  0.46347734  0.34339449
   0.51273538  0.37729509  0.21493418
   0.25553911  0.40543653  0.17835929
   0.25079574  0.10681293  0.46024098
   0.01294220  0.14477548  0.38954414
   0.04362135  0.06073767  0.56185357
   0.45340616  0.26490885  0.77289721
   0.09533777  0.32676553  0.52373025
   0.33018931  0.48339905  0.83866762
   0.41104596  0.47064616  0.65071235
   0.18846000  0.36323641  0.70527259
   0.27584633  0.22403591 -0.10267502
   0.03762760  0.14133459  0.91807855
   0.06739149  0.57368165  0.08516857
   0.36687536  0.69745668  0.28221952
   0.11746936  0.82652872  0.05221772
   0.39051370  0.94244448  0.33462017
   0.39943893  0.90617802  0.15507758
   0.16412237  0.86853172  0.23343121
   0.32726827  0.66877127  0.46300389
   0.07358418  0.67213819  0.41779910
   0.15647402  0.55623810  0.58752181
   0.32321275  0.73927031  0.77229968
   0.14965979  0.82470803  0.55255044
   0.39726907  1.00463864  0.80904820
   0.43840456  0.91705736  0.63460826
   0.17217843  0.93571272  0.70907215
   0.26696026  0.64856393 -0.03264504
   0.00335403  0.68523001  0.91435532
   0.60238823  0.07426606  0.10866323
   0.80976082  0.19570829  0.26616889
   0.60496771  0.31169374  0.03561007
   0.97899179  0.45320896  0.36309454
   0.01055028  0.36007612  0.20196650
   0.74666049  0.44100791  0.17676732
   0.76653269  0.18696826  0.44942304
   0.51967461  0.13002252  0.42086551
   0.63980737  0.08267319  0.59525677
   0.83845232  0.23560586  0.79684593
   0.57764012  0.33769868  0.53508761
   0.86553215  0.46893605  0.84668548
   0.93578102  0.42525999  0.66508522
   0.69126459  0.39879225  0.68579948
   0.78668580  0.11993003  0.96848109
   0.51625307  0.13129357  0.93593075
   0.55126996  0.57287204  0.08123447
   0.85884878  0.69295619  0.28920390
   0.60757336  0.83860594  0.03860325
   0.84211477  0.95492168  0.34138712
   0.91057400  0.87107761  0.15771157
   0.65438339  0.87251444  0.22959791
   0.81780437  0.61149108  0.46175774
   0.55598631  0.57795581  0.37768507
   0.60443219  0.60302563  0.56682722
   0.80338637  0.72061713  0.78535738
   0.63455673  0.79946627  0.41349327
   0.90097098  0.98184251  0.82184827
   0.91593166  0.87232581  0.65128173
   0.67348695  0.92439295  0.73777599
   0.76311789  0.63212309  0.96998034
   0.50331513  0.68471248  0.89981595
   0.67910386  0.82559652  0.57364353
   0.68906854  0.87916163  0.41744968
   0.86503095  0.25559850  0.09279131
   1.00511544  0.43724692  0.30477524
   0.30748179  0.12704103  0.64873668
   0.25374886  0.71231924  0.73463351
  -0.03033797  1.10533138  0.11528692
   0.25479981  1.09037095  0.04428825
   0.63539546  0.38057573  0.85326479
   0.85872157  0.40441929  0.62496871
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834882    0.427274    0.005252
    -0.000000    9.895663    0.331182
    -0.000000    0.000000   14.002988
   Si   O    H 
    32    64    10
Direct configuration=  1035
   0.16225924  0.18912753 -0.02137173
   0.37451817  0.09635178  0.37784905
   0.11244495  0.42003006  0.12009966
   0.36548903  0.35552894  0.25810109
   0.09982062  0.17020682  0.48289920
   0.40592817  0.15698435  0.85432616
   0.09092058  0.41674332  0.61702309
   0.34104350  0.39171685  0.74403256
   0.11237261  0.67860767  0.00385374
   0.39399580  0.59933763  0.37080431
   0.06872743  0.90764088  0.14229554
   0.32745603  0.85588210  0.25147078
   0.17613578  0.68496208  0.50315035
   0.35407256  0.64151054  0.86984613
   0.06855934  0.92082034  0.62346771
   0.32905795  0.99069302  0.70267126
   0.62788108  0.15027633  1.00929281
   0.85422592  0.11652761  0.36723897
   0.60569287  0.41994106  0.12322127
   0.84960573  0.30814988  0.18675804
   0.62424299  0.19051210  0.50310207
   0.88756530  0.12120425  0.87651892
   0.56261921  0.45896785  0.61412137
   0.75387751  0.37092384  0.79210628
   0.60236705  0.68326116 -0.00476457
   0.92843482  0.60963545  0.37878666
   0.56916398  0.91852341  0.13112218
   0.81622948  0.84722722  0.25389831
   0.65309448  0.64068408  0.45623090
   0.86374615  0.62675693  0.87672297
   0.60265593  0.93296556  0.63393287
   0.83523088  0.87130040  0.75314369
   0.05976437  0.07732090  0.12894375
   0.34825622  0.19487970  0.28291240
   0.13323658  0.32855840  0.03017116
   0.31927281  0.46438332  0.34395869
   0.51279231  0.37654341  0.21395031
   0.25752878  0.40367661  0.17983571
   0.25101764  0.10587975  0.46041773
   0.01439070  0.14419515  0.38932357
   0.04359206  0.06081708  0.56009516
   0.45084551  0.26530482  0.77183466
   0.09349539  0.32509203  0.52176535
   0.32884215  0.48291201  0.83756471
   0.41120797  0.47042704  0.65139506
   0.18897751  0.36285654  0.70605958
   0.27433473  0.22392578 -0.10336634
   0.03751778  0.14240294  0.91736056
   0.06658494  0.57634381  0.08454554
   0.36612777  0.69933891  0.28221227
   0.11795167  0.82693015  0.05222487
   0.39291239  0.94186280  0.33481422
   0.39974731  0.90867217  0.15474938
   0.16366099  0.86822655  0.23406747
   0.32753737  0.66792631  0.46343267
   0.07329100  0.67251311  0.41716003
   0.15520135  0.55752685  0.58854283
   0.32229056  0.73870871  0.77177943
   0.15014279  0.82482501  0.55321259
   0.39749573  1.00625471  0.80841772
   0.43770107  0.91688746  0.63429210
   0.17332401  0.93400314  0.70897067
   0.26691590  0.64823319 -0.03302609
   0.00341211  0.68579748  0.91441820
   0.60354102  0.07441790  0.10807120
   0.80839883  0.19509674  0.26548126
   0.60603253  0.31068076  0.03658133
   0.97898168  0.45309844  0.36504891
   0.01116268  0.35925865  0.20220149
   0.74627185  0.44140067  0.17525191
   0.76772949  0.18595738  0.44794666
   0.52073871  0.13033420  0.42251997
   0.63783517  0.08422055  0.59606103
   0.83912733  0.23431898  0.79624721
   0.57613923  0.33915594  0.53494323
   0.86590238  0.47016664  0.84591534
   0.93532946  0.42435708  0.66431586
   0.69108780  0.39966858  0.68533166
   0.78550110  0.12092445  0.96889681
   0.51542342  0.13317393  0.93539821
   0.55235082  0.57347079  0.08095125
   0.86156071  0.69567513  0.28921197
   0.60682058  0.83961069  0.03700961
   0.84148569  0.95513140  0.34167953
   0.91072541  0.86899593  0.15868882
   0.65415825  0.87419257  0.22978250
   0.81674806  0.61332423  0.46199585
   0.55546187  0.57600903  0.37892514
   0.60292928  0.60373195  0.56508654
   0.80465675  0.72116866  0.78576337
   0.63490788  0.80029627  0.41528348
   0.90251137  0.98179725  0.82051442
   0.91680580  0.87274304  0.65038917
   0.67383356  0.92234081  0.73797375
   0.76490634  0.63370562  0.96931404
   0.50360840  0.68532498  0.90119669
   0.66793175  0.82941076  0.57361867
   0.69242350  0.88369913  0.40938042
   0.86506429  0.25533653  0.09150803
   1.00857105  0.43183189  0.29599645
   0.30759269  0.11910128  0.64519033
   0.24155989  0.70990509  0.73375924
  -0.03387803  1.10150271  0.11722632
   0.25719713  1.08935061  0.03923111
   0.63822960  0.37960565  0.85259844
   0.85726066  0.40614107  0.62422741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834404    0.423002    0.009268
    -0.000000    9.896279    0.330354
    -0.000000    0.000000   14.005671
   Si   O    H 
    32    64    10
Direct configuration=  1036
   0.16235696  0.18983359 -0.02159605
   0.37499072  0.09515601  0.37815615
   0.11333437  0.42075285  0.12129723
   0.36558552  0.35453086  0.25748142
   0.10103989  0.16938020  0.48292652
   0.40661363  0.15695720  0.85419719
   0.09190164  0.41646311  0.61696522
   0.34271416  0.39133924  0.74439678
   0.11231943  0.67830401  0.00372403
   0.39408288  0.60055104  0.37097405
   0.06781873  0.90814649  0.14258439
   0.32632432  0.85523475  0.25053226
   0.17495120  0.68395064  0.50361688
   0.35496661  0.64221977  0.86916380
   0.07019839  0.92133598  0.62313500
   0.32885202  0.98736152  0.70299352
   0.62738399  0.14965888  1.00948966
   0.85433297  0.11700668  0.36677845
   0.60613681  0.41959612  0.12308130
   0.85057606  0.30986412  0.18590847
   0.62503276  0.19080617  0.50284375
   0.88773388  0.12073050  0.87668334
   0.56336998  0.45885994  0.61378053
   0.75226412  0.37053251  0.79215752
   0.60210432  0.68246971 -0.00446212
   0.93074302  0.60933404  0.37862052
   0.56961890  0.91858939  0.13063095
   0.81706765  0.84859615  0.25310864
   0.65400211  0.64114995  0.45651753
   0.86402753  0.62675916  0.87728636
   0.60280446  0.93199146  0.63418283
   0.83393854  0.87036778  0.75262253
   0.05839175  0.07703114  0.12743734
   0.34681817  0.19491221  0.28238832
   0.13304195  0.32738373  0.03003176
   0.32197787  0.46367738  0.34511116
   0.51240225  0.37603124  0.21297848
   0.25829677  0.40257664  0.18035166
   0.25214686  0.10518810  0.46097015
   0.01581101  0.14381219  0.38882643
   0.04325853  0.06051106  0.55898462
   0.44773677  0.26579948  0.77092581
   0.09198968  0.32317857  0.52057186
   0.32756481  0.48249923  0.83701669
   0.41087930  0.47054800  0.65219961
   0.18945304  0.36221773  0.70665122
   0.27298959  0.22481101 -0.10415181
   0.03707816  0.14344108  0.91685103
   0.06672341  0.57833745  0.08467668
   0.36550364  0.70137739  0.28208190
   0.11887406  0.82745166  0.05139157
   0.39458771  0.94259159  0.33488993
   0.40093275  0.91108062  0.15416702
   0.16369372  0.86741403  0.23487486
   0.32910713  0.66745973  0.46365403
   0.07186012  0.67350480  0.41594679
   0.15447741  0.55994294  0.58902862
   0.32103112  0.73783451  0.77191482
   0.15075543  0.82510824  0.55321071
   0.39802221  1.00772022  0.80773356
   0.43761211  0.91662352  0.63470507
   0.17445791  0.93193198  0.70875256
   0.26623955  0.64711722 -0.03337759
   0.00309390  0.68577856  0.91439057
   0.60474058  0.07428170  0.10761726
   0.80683189  0.19483562  0.26457769
   0.60708296  0.31020054  0.03743982
   0.97954454  0.45283727  0.36607144
   0.01114731  0.35825699  0.20257913
   0.74656820  0.44143771  0.17442278
   0.76913194  0.18493067  0.44727956
   0.52148565  0.13114738  0.42416073
   0.63567555  0.08525624  0.59650041
   0.84055293  0.23257037  0.79516849
   0.57472022  0.34055993  0.53516571
   0.86637850  0.47166017  0.84467996
   0.93510092  0.42395013  0.66420108
   0.69104454  0.40095212  0.68497894
   0.78371293  0.12201434  0.96946355
   0.51483963  0.13465943  0.93426160
   0.55383675  0.57450369  0.08045506
   0.86394488  0.69737101  0.28894915
   0.60586639  0.83970442  0.03595706
   0.84102964  0.95489618  0.34219191
   0.91066577  0.86741072  0.15957642
   0.65391408  0.87534584  0.23012194
   0.81532644  0.61492376  0.46288123
   0.55531351  0.57396995  0.38066963
   0.60221369  0.60452602  0.56413728
   0.80655379  0.72094142  0.78600295
   0.63504226  0.80137351  0.41675448
   0.90425827  0.98187764  0.81911726
   0.91746103  0.87288087  0.65035284
   0.67410421  0.92036704  0.73779622
   0.76621918  0.63456610  0.96841793
   0.50442400  0.68603674  0.90272376
   0.65758684  0.83627039  0.57286988
   0.69208215  0.87879559  0.40480488
   0.86541238  0.25637218  0.08692211
   1.01001175  0.42450534  0.29362574
   0.31122445  0.11063041  0.64207888
   0.23694847  0.70711646  0.73655776
  -0.04253131  1.10331796  0.11992734
   0.25951906  1.08843681  0.03328037
   0.63534273  0.37691327  0.85199656
   0.85700006  0.41242622  0.62656800
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833638    0.418895    0.013961
    -0.000000    9.896784    0.329192
    -0.000000    0.000000   14.008891
   Si   O    H 
    32    64    10
Direct configuration=  1037
   0.16220262  0.18997436 -0.02165012
   0.37535894  0.09387049  0.37866992
   0.11465109  0.42171526  0.12268258
   0.36598171  0.35287787  0.25752617
   0.10229827  0.16856643  0.48287263
   0.40701383  0.15648893  0.85387282
   0.09359750  0.41576377  0.61706172
   0.34442522  0.39113914  0.74454825
   0.11214759  0.67839172  0.00338354
   0.39436188  0.60192942  0.37084182
   0.06711399  0.90875502  0.14235332
   0.32497570  0.85423232  0.24954608
   0.17370813  0.68311453  0.50406244
   0.35571079  0.64303857  0.86833145
   0.07142907  0.92217034  0.62236978
   0.32831370  0.98553190  0.70319662
   0.62734652  0.14971369  1.00962602
   0.85503299  0.11721229  0.36606020
   0.60567085  0.42030033  0.12274649
   0.85169133  0.31181634  0.18534223
   0.62524986  0.19097114  0.50257450
   0.88790759  0.12072987  0.87656291
   0.56471409  0.45887805  0.61305516
   0.75028013  0.37030522  0.79232508
   0.60162560  0.68146178 -0.00434087
   0.93311137  0.60884457  0.37867703
   0.57006792  0.91900971  0.13031808
   0.81782358  0.84973289  0.25233857
   0.65551762  0.64201005  0.45684045
   0.86447080  0.62594604  0.87759597
   0.60283189  0.93111026  0.63462636
   0.83295374  0.86984982  0.75171443
   0.05679455  0.07768317  0.12597515
   0.34435971  0.19578776  0.28226968
   0.13284436  0.32662635  0.02971818
   0.32444136  0.46281762  0.34620221
   0.51182168  0.37487189  0.21205603
   0.25779466  0.40171943  0.17950657
   0.25359406  0.10518969  0.46139303
   0.01710039  0.14393386  0.38852749
   0.04362459  0.06115249  0.55840585
   0.44465944  0.26688700  0.77000840
   0.08990176  0.32190894  0.51914806
   0.32711069  0.48333818  0.83629807
   0.41086664  0.47103400  0.65275281
   0.18995295  0.36074791  0.70814392
   0.27135603  0.22553268 -0.10478737
   0.03721569  0.14394797  0.91685513
   0.06668026  0.57964517  0.08572234
   0.36521667  0.70304507  0.28163723
   0.11931880  0.82760152  0.04973808
   0.39626064  0.94257625  0.33537375
   0.40281073  0.91307783  0.15379144
   0.16287129  0.86751847  0.23565836
   0.33127808  0.66706567  0.46431461
   0.07012902  0.67379570  0.41510224
   0.15381885  0.56229529  0.58891335
   0.31938626  0.73722186  0.77160394
   0.15120452  0.82515086  0.55273424
   0.39861645  1.00932514  0.80675666
   0.43749850  0.91584818  0.63467014
   0.17525153  0.93094292  0.70877205
   0.26619564  0.64531061 -0.03358671
   0.00301247  0.68557471  0.91455024
   0.60564494  0.07398958  0.10757590
   0.80664304  0.19488478  0.26392024
   0.60753436  0.30992542  0.03789234
   0.97973132  0.45293564  0.36680019
   0.01093056  0.35827417  0.20342924
   0.74691013  0.44109231  0.17484456
   0.77050284  0.18397467  0.44711842
   0.52166360  0.13228933  0.42608331
   0.63353628  0.08692448  0.59660638
   0.84222896  0.23042723  0.79406185
   0.57399714  0.34190226  0.53524300
   0.86701464  0.47281151  0.84334436
   0.93643353  0.42433407  0.66418861
   0.69033619  0.40243423  0.68478688
   0.78199164  0.12340227  0.97017149
   0.51485982  0.13588955  0.93289969
   0.55592974  0.57545202  0.08013253
   0.86618917  0.69937414  0.28886806
   0.60461581  0.83986543  0.03524674
   0.84068021  0.95363130  0.34292926
   0.91117419  0.86685852  0.16045438
   0.65419642  0.87597406  0.23073677
   0.81468873  0.61626892  0.46353873
   0.55457646  0.57268229  0.38205431
   0.60131920  0.60452120  0.56299921
   0.80689782  0.71982230  0.78602093
   0.63542611  0.80150704  0.41805677
   0.90538887  0.98149645  0.81794809
   0.91815252  0.87295539  0.65065186
   0.67392127  0.91818737  0.73808495
   0.76757066  0.63553202  0.96740316
   0.50522756  0.68655585  0.90388194
   0.65029585  0.83970532  0.56945202
   0.68710520  0.87458692  0.40320267
   0.86205468  0.25660284  0.08388974
   1.00769695  0.41921768  0.29894800
   0.31120264  0.10627220  0.64369033
   0.23948536  0.70801303  0.74081866
  -0.04144401  1.10679175  0.12341840
   0.25328403  1.08834515  0.02598102
   0.63234240  0.37816835  0.85395358
   0.85451286  0.41750306  0.62649731
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832808    0.414746    0.018349
    -0.000000    9.897524    0.327804
    -0.000000    0.000000   14.012223
   Si   O    H 
    32    64    10
Direct configuration=  1038
   0.16265503  0.18975459 -0.02169989
   0.37539004  0.09245547  0.37904505
   0.11600254  0.42234887  0.12394211
   0.36648762  0.35141879  0.25748043
   0.10323667  0.16805050  0.48268615
   0.40742520  0.15630630  0.85323907
   0.09476486  0.41518606  0.61747877
   0.34637826  0.39115439  0.74495660
   0.11155309  0.67890912  0.00276081
   0.39520352  0.60317230  0.37047890
   0.06689399  0.90966300  0.14190024
   0.32425916  0.85309810  0.24869073
   0.17242706  0.68205867  0.50446524
   0.35619092  0.64335146  0.86753919
   0.07205056  0.92277698  0.62183544
   0.32859271  0.98401358  0.70341584
   0.62807347  0.15039957  1.01012490
   0.85649457  0.11735649  0.36517066
   0.60465773  0.42089345  0.12231420
   0.85215681  0.31375065  0.18467787
   0.62469185  0.19097427  0.50217264
   0.88821999  0.12054332  0.87636245
   0.56567896  0.45919411  0.61255371
   0.74843914  0.37016339  0.79278605
   0.60140281  0.67982685 -0.00414614
   0.93546567  0.60812144  0.37834305
   0.57028926  0.91913738  0.13006262
   0.81812414  0.85095766  0.25211512
   0.65611440  0.64380023  0.45711386
   0.86497010  0.62514395  0.87733501
   0.60258289  0.93039144  0.63515840
   0.83227224  0.87001274  0.75090902
   0.05524475  0.07799290  0.12505231
   0.34214344  0.19608861  0.28221190
   0.13200329  0.32630048  0.02944736
   0.32721030  0.46215726  0.34673239
   0.51179674  0.37351302  0.21143512
   0.25681310  0.40081431  0.17908063
   0.25483722  0.10491791  0.46138103
   0.01811451  0.14362983  0.38818848
   0.04344562  0.06138633  0.55827296
   0.44186856  0.26743479  0.76929033
   0.08828974  0.31989428  0.51795089
   0.32662664  0.48452542  0.83562417
   0.41018210  0.47202056  0.65349267
   0.19134538  0.36016626  0.70932908
   0.27012614  0.22579908 -0.10541336
   0.03672237  0.14362214  0.91693424
   0.06547409  0.57997707  0.08667859
   0.36501583  0.70430758  0.28139527
   0.12060905  0.82782982  0.04811961
   0.39753916  0.94237672  0.33616565
   0.40467223  0.91556567  0.15297712
   0.16203013  0.86746825  0.23672008
   0.33330558  0.66681462  0.46506371
   0.06848181  0.67454944  0.41453709
   0.15382860  0.56405931  0.58835513
   0.31781014  0.73616282  0.77159850
   0.15187266  0.82426584  0.55189520
   0.39927781  1.01073273  0.80640338
   0.43773093  0.91501702  0.63463447
   0.17589095  0.92981434  0.70906707
   0.26605644  0.64299670 -0.03368264
   0.00298792  0.68530229  0.91442973
   0.60650401  0.07390703  0.10797478
   0.80676262  0.19556623  0.26362574
   0.60857544  0.31021917  0.03870897
   0.98053635  0.45234508  0.36688844
   0.01102610  0.35891618  0.20422578
   0.74753672  0.44088402  0.17564548
   0.77107940  0.18357447  0.44804322
   0.52174160  0.13327792  0.42862701
   0.63181824  0.08786048  0.59627346
   0.84388491  0.22849174  0.79313488
   0.57279844  0.34191247  0.53508775
   0.86799089  0.47426414  0.84201165
   0.93846976  0.42459190  0.66343302
   0.68970795  0.40437329  0.68509024
   0.78022167  0.12418074  0.97114864
   0.51549262  0.13575461  0.93220360
   0.55793142  0.57585912  0.07955560
   0.86789090  0.70145863  0.28906385
   0.60411067  0.84009872  0.03430051
   0.83963271  0.95247578  0.34359686
   0.91177720  0.86626552  0.16181899
   0.65510066  0.87649573  0.23092010
   0.81381918  0.61741817  0.46429387
   0.55534355  0.57103836  0.38317853
   0.60094299  0.60399012  0.56218490
   0.80691995  0.71899441  0.78659348
   0.63548096  0.80121782  0.41919589
   0.90621356  0.98119595  0.81666937
   0.91891726  0.87322059  0.65089467
   0.67347690  0.91700018  0.73844098
   0.76789838  0.63685670  0.96690723
   0.50634327  0.68648723  0.90474081
   0.64565026  0.83858467  0.56358089
   0.69059464  0.88148308  0.39966112
   0.86054118  0.25567013  0.08687042
   1.00255515  0.41996280  0.30880819
   0.31072422  0.10738183  0.64516755
   0.23684667  0.71017808  0.74322496
  -0.03891079  1.11108486  0.12683681
   0.24502789  1.08789467  0.02067602
   0.62593192  0.38111289  0.85746965
   0.85690536  0.42428302  0.62613545
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832356    0.410001    0.022574
    -0.000000    9.898135    0.326020
    -0.000000    0.000000   14.015530
   Si   O    H 
    32    64    10
Direct configuration=  1039
   0.16347698  0.18937589 -0.02196339
   0.37503524  0.09047459  0.37959575
   0.11783860  0.42290517  0.12493674
   0.36654403  0.34994407  0.25712522
   0.10424113  0.16799489  0.48266042
   0.40748207  0.15670145  0.85225248
   0.09603375  0.41459858  0.61799177
   0.34737770  0.39199452  0.74509276
   0.11085947  0.67957675  0.00195885
   0.39598105  0.60401305  0.36994218
   0.06679510  0.91118490  0.14101111
   0.32335763  0.85294200  0.24765759
   0.17108051  0.68102756  0.50494843
   0.35710472  0.64345129  0.86735837
   0.07267228  0.92353544  0.62140209
   0.32846197  0.98315840  0.70323845
   0.62923109  0.15079911  1.01076413
   0.85810154  0.11724298  0.36457312
   0.60369136  0.42142976  0.12180904
   0.85289547  0.31576805  0.18394504
   0.62419919  0.19045956  0.50217023
   0.88847352  0.12027783  0.87645912
   0.56699865  0.45984979  0.61216918
   0.74729998  0.37055149  0.79303840
   0.60131533  0.67904062 -0.00379351
   0.93705816  0.60821558  0.37816783
   0.56971201  0.91914163  0.13013825
   0.81834841  0.85235449  0.25186972
   0.65689735  0.64542766  0.45729423
   0.86489960  0.62466542  0.87699609
   0.60232164  0.92971857  0.63562147
   0.83204204  0.87044253  0.75036116
   0.05375233  0.07886017  0.12442204
   0.34002931  0.19607770  0.28192766
   0.13114123  0.32652057  0.02967139
   0.32963780  0.46191557  0.34722094
   0.51141069  0.37146925  0.21105686
   0.25573798  0.39995405  0.17846488
   0.25605247  0.10501400  0.46116116
   0.01878521  0.14345474  0.38773521
   0.04298853  0.06251327  0.55828861
   0.43960710  0.26626144  0.76866832
   0.08741028  0.31981273  0.51734403
   0.32637364  0.48583356  0.83556375
   0.40997784  0.47247884  0.65397776
   0.19265818  0.35919532  0.70990895
   0.26969868  0.22672062 -0.10637584
   0.03539453  0.14361595  0.91736964
   0.06387244  0.57923199  0.08782125
   0.36395805  0.70487745  0.28139207
   0.12130197  0.82813965  0.04686695
   0.39739688  0.94189667  0.33693716
   0.40603343  0.91778584  0.15234728
   0.16121352  0.86757320  0.23800124
   0.33453489  0.66635366  0.46614590
   0.06774759  0.67638001  0.41401659
   0.15395262  0.56553790  0.58799423
   0.31654336  0.73469292  0.77190948
   0.15321910  0.82307325  0.55091223
   0.39971849  1.01130023  0.80628524
   0.43814801  0.91379457  0.63433711
   0.17597801  0.92899188  0.70949438
   0.26582954  0.64179555 -0.03366101
   0.00330648  0.68452873  0.91431571
   0.60731381  0.07399363  0.10874921
   0.80668832  0.19550220  0.26370829
   0.60969171  0.31066097  0.03942610
   0.98083714  0.45180086  0.36712475
   0.01075979  0.35901813  0.20456469
   0.74821245  0.44063226  0.17675799
   0.77222068  0.18310848  0.44945765
   0.52152074  0.13347357  0.43087767
   0.63079656  0.08961064  0.59564602
   0.84418739  0.22580124  0.79218123
   0.57227401  0.34187036  0.53558087
   0.86862468  0.47478176  0.84106451
   0.94057176  0.42489367  0.66333015
   0.68941173  0.40535408  0.68551146
   0.77951060  0.12518010  0.97218529
   0.51653765  0.13594875  0.93190411
   0.55993714  0.57637433  0.07907584
   0.86900128  0.70303610  0.28952147
   0.60348600  0.84103985  0.03303957
   0.83906241  0.95174554  0.34425063
   0.91285775  0.86559444  0.16226033
   0.65605556  0.87699467  0.23084967
   0.81385240  0.61759334  0.46484806
   0.55653556  0.56893479  0.38381481
   0.60065454  0.60277041  0.56177484
   0.80779949  0.71746310  0.78714301
   0.63593013  0.80104074  0.42009940
   0.90733932  0.98121622  0.81582292
   0.91901673  0.87316182  0.65136835
   0.67339142  0.91525115  0.73857864
   0.76781690  0.63780914  0.96697509
   0.50715323  0.68564628  0.90501504
   0.64359254  0.83711768  0.56069405
   0.68959657  0.88175485  0.40052464
   0.85845738  0.25151878  0.09066727
   1.00298016  0.41369827  0.30860748
   0.30932972  0.11188139  0.64622631
   0.22790551  0.70748843  0.74099470
  -0.03660997  1.11487924  0.12934499
   0.23911217  1.08130652  0.01983664
   0.62160343  0.38355790  0.86078434
   0.85819674  0.43058586  0.62445200
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831599    0.405703    0.026887
    -0.000000    9.898658    0.324454
    -0.000000    0.000000   14.018869
   Si   O    H 
    32    64    10
Direct configuration=  1040
   0.16386742  0.18852256 -0.02261587
   0.37443693  0.08867592  0.37983548
   0.11902527  0.42310572  0.12552740
   0.36588812  0.34879325  0.25692708
   0.10565445  0.16817900  0.48258055
   0.40686223  0.15769405  0.85108181
   0.09688688  0.41404454  0.61838689
   0.34792530  0.39353377  0.74518246
   0.11072148  0.67981896  0.00147460
   0.39666037  0.60409849  0.36947154
   0.06596411  0.91261920  0.14069083
   0.32396794  0.85300092  0.24679773
   0.17008949  0.67998395  0.50543312
   0.35807036  0.64337112  0.86763386
   0.07228007  0.92480723  0.62065572
   0.32754818  0.98310990  0.70315527
   0.63023675  0.15128029  1.01150534
   0.85978525  0.11640624  0.36384979
   0.60305656  0.42194601  0.12154953
   0.85398933  0.31735425  0.18345160
   0.62347819  0.19001848  0.50247646
   0.88818910  0.11957883  0.87669546
   0.56857930  0.45990980  0.61186079
   0.74616902  0.37065196  0.79395308
   0.60207108  0.67853046 -0.00333842
   0.93827887  0.60815002  0.37789852
   0.56864503  0.91910158  0.13018145
   0.81863802  0.85360554  0.25166738
   0.65757001  0.64706943  0.45751765
   0.86406001  0.62434343  0.87645777
   0.60268425  0.92888109  0.63572534
   0.83227376  0.87099487  0.75011211
   0.05245936  0.07949372  0.12380124
   0.33856799  0.19533569  0.28216099
   0.12984671  0.32724293  0.03041953
   0.33194297  0.46072466  0.34727057
   0.51150903  0.36959234  0.21103210
   0.25451635  0.39960949  0.17786357
   0.25724094  0.10415499  0.46098982
   0.01903803  0.14400936  0.38736682
   0.04271443  0.06378001  0.55903292
   0.43801837  0.26455295  0.76852214
   0.08741964  0.32009404  0.51670985
   0.32633556  0.48852623  0.83586987
   0.41035263  0.47390915  0.65430215
   0.19431821  0.35883113  0.71078274
   0.26990723  0.22810710 -0.10743146
   0.03474202  0.14458669  0.91831313
   0.06250115  0.57774372  0.08924453
   0.36303931  0.70503152  0.28162853
   0.12171116  0.82802958  0.04644343
   0.39758784  0.94099530  0.33741288
   0.40764599  0.91973407  0.15172131
   0.15942754  0.86694084  0.23951705
   0.33512773  0.66618079  0.46757293
   0.06681484  0.67810702  0.41386868
   0.15412279  0.56684110  0.58790494
   0.31540764  0.73326038  0.77214762
   0.15473968  0.82164362  0.54945404
   0.40006512  1.01102630  0.80640399
   0.43907889  0.91166141  0.63418162
   0.17598567  0.92851341  0.71015542
   0.26544561  0.64160655 -0.03373071
   0.00344946  0.68351534  0.91439928
   0.60820214  0.07434364  0.10963653
   0.80683488  0.19463056  0.26389336
   0.61092297  0.31127267  0.04108231
   0.98045865  0.45169180  0.36728391
   0.01000610  0.35944414  0.20476721
   0.74896522  0.44035014  0.17819819
   0.77290844  0.18385165  0.45113700
   0.52072409  0.13314143  0.43249853
   0.63052309  0.09078442  0.59572599
   0.84413537  0.22396049  0.79137269
   0.57125157  0.34122701  0.53591364
   0.86926505  0.47478518  0.84025951
   0.94280282  0.42573050  0.66235235
   0.68912583  0.40615976  0.68660769
   0.77884241  0.12611000  0.97322821
   0.51818850  0.13613221  0.93242102
   0.56176539  0.57683354  0.07902438
   0.86975225  0.70426048  0.29068016
   0.60285512  0.84199339  0.03188178
   0.83944683  0.95172017  0.34537574
   0.91427908  0.86492070  0.16195538
   0.65748966  0.87751784  0.22986556
   0.81501864  0.61688384  0.46510135
   0.55835666  0.56779152  0.38401499
   0.60108140  0.60162333  0.56148755
   0.80825723  0.71542398  0.78761189
   0.63769633  0.80057035  0.42123643
   0.90799152  0.98040248  0.81439154
   0.91927958  0.87321549  0.65166727
   0.67312183  0.91431082  0.73871814
   0.76713578  0.63922530  0.96732564
   0.50793153  0.68442005  0.90476540
   0.64387501  0.83892449  0.55998421
   0.68579143  0.87551392  0.40615182
   0.85611526  0.24788344  0.09525949
   1.00519289  0.40545410  0.30213494
   0.30530609  0.11961655  0.64792721
   0.22590929  0.70679544  0.74343123
  -0.04159959  1.12085827  0.12805515
   0.23806129  1.06768274  0.02038673
   0.62232971  0.38513009  0.86114081
   0.86157567  0.43540140  0.62176072
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830889    0.401247    0.031284
    -0.000000    9.899498    0.322642
    -0.000000    0.000000   14.021765
   Si   O    H 
    32    64    10
Direct configuration=  1041
   0.16396522  0.18791484 -0.02334716
   0.37429846  0.08744381  0.37989832
   0.11963526  0.42349573  0.12591959
   0.36465577  0.34807351  0.25708231
   0.10673448  0.16851067  0.48246653
   0.40607218  0.15842917  0.85007890
   0.09825330  0.41329572  0.61890134
   0.34758616  0.39515111  0.74515924
   0.11100421  0.68037056  0.00082034
   0.39743375  0.60386231  0.36940215
   0.06499617  0.91391590  0.14034883
   0.32482381  0.85397466  0.24638639
   0.16931901  0.67897959  0.50574813
   0.35872658  0.64291176  0.86841766
   0.07143152  0.92608760  0.61995683
   0.32685888  0.98340573  0.70344028
   0.63089489  0.15202712  1.01219057
   0.86113091  0.11540058  0.36324207
   0.60244087  0.42244699  0.12124207
   0.85469256  0.31816557  0.18293542
   0.62328398  0.18992999  0.50270304
   0.88815380  0.11879758  0.87729590
   0.56919453  0.45942116  0.61177246
   0.74503719  0.37115196  0.79482434
   0.60350898  0.67907333 -0.00279787
   0.93884027  0.60812076  0.37734718
   0.56748335  0.91887784  0.12997451
   0.81909403  0.85459980  0.25137227
   0.65725953  0.64861601  0.45729364
   0.86330476  0.62402691  0.87641954
   0.60287529  0.92810826  0.63558281
   0.83250317  0.87198155  0.74972094
   0.05141232  0.08063599  0.12329194
   0.33668440  0.19339843  0.28272716
   0.12809173  0.32913423  0.03129536
   0.33436021  0.45852944  0.34729513
   0.51232467  0.36745579  0.21006331
   0.25434568  0.39868585  0.17772839
   0.25861926  0.10281644  0.46096843
   0.01858119  0.14455205  0.38683626
   0.04261940  0.06402205  0.55974652
   0.43739556  0.26290610  0.76829318
   0.08688990  0.32032246  0.51674480
   0.32707916  0.49091552  0.83574401
   0.41155628  0.47510595  0.65445181
   0.19594108  0.35763447  0.71167452
   0.26913242  0.22905567 -0.10778225
   0.03385455  0.14623579  0.91892106
   0.06147074  0.57669220  0.09051794
   0.36297906  0.70488201  0.28182848
   0.12172280  0.82826402  0.04654444
   0.39770455  0.94053387  0.33740996
   0.40905484  0.92160643  0.15123200
   0.15747491  0.86614323  0.24053274
   0.33453237  0.66605484  0.46950310
   0.06692518  0.67991592  0.41408505
   0.15398391  0.56734582  0.58812690
   0.31438561  0.73198639  0.77304932
   0.15564790  0.82065726  0.54776972
   0.39944771  1.01030889  0.80645220
   0.43950915  0.90903767  0.63418405
   0.17489018  0.92810133  0.71099873
   0.26617686  0.64140029 -0.03359362
   0.00383886  0.68227163  0.91458240
   0.60876056  0.07472841  0.11038246
   0.80700412  0.19411204  0.26345664
   0.61181679  0.31165274  0.04241295
   0.97996742  0.45081815  0.36705785
   0.00924754  0.35968186  0.20480224
   0.74860413  0.44130654  0.17880577
   0.77333536  0.18439918  0.45233247
   0.52038848  0.13342861  0.43343976
   0.63043565  0.09215109  0.59629346
   0.84297874  0.22376813  0.79033081
   0.57031360  0.34099546  0.53592624
   0.86986052  0.47396528  0.83965440
   0.94556056  0.42652802  0.66187151
   0.68885673  0.40662230  0.68741863
   0.77934586  0.12643447  0.97358473
   0.52000899  0.13558455  0.93241944
   0.56295668  0.57668242  0.07952099
   0.86984402  0.70460322  0.29198457
   0.60328523  0.84136370  0.03131468
   0.83998947  0.95242467  0.34625425
   0.91560951  0.86488767  0.16175424
   0.65841443  0.87852551  0.22823542
   0.81694553  0.61558666  0.46554979
   0.56054964  0.56727504  0.38361628
   0.60132743  0.60085191  0.56123701
   0.80887655  0.71361387  0.78797171
   0.63879099  0.79981386  0.42246855
   0.90885622  0.97897067  0.81305121
   0.91945494  0.87388162  0.65181454
   0.67280223  0.91315455  0.73913123
   0.76611183  0.64053653  0.96741572
   0.50867879  0.68320227  0.90469936
   0.64592920  0.84262428  0.56197728
   0.68747026  0.87872894  0.41161310
   0.85350640  0.24622254  0.09881108
   1.00406524  0.40052620  0.29961580
   0.30530818  0.12710893  0.65113961
   0.23148305  0.70769287  0.74739648
  -0.04322306  1.12441825  0.12615299
   0.23293664  1.05458480  0.01952077
   0.62928014  0.38217416  0.85893071
   0.86381665  0.44037128  0.61881247
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830092    0.396347    0.035662
    -0.000000    9.900458    0.321020
    -0.000000    0.000000   14.024778
   Si   O    H 
    32    64    10
Direct configuration=  1042
   0.16345093  0.18722520 -0.02387454
   0.37420542  0.08643195  0.37970300
   0.11966549  0.42441117  0.12637991
   0.36365293  0.34699602  0.25702121
   0.10717920  0.16842238  0.48216566
   0.40488294  0.15872808  0.84968399
   0.09971680  0.41288418  0.61946841
   0.34696549  0.39705117  0.74509245
   0.11071988  0.68080316  0.00026715
   0.39776303  0.60327588  0.36934679
   0.06412336  0.91517271  0.14019893
   0.32603162  0.85511576  0.24664305
   0.16894058  0.67859772  0.50591679
   0.35899570  0.64229719  0.86909893
   0.07075629  0.92783150  0.61887856
   0.32636921  0.98374748  0.70344677
   0.63164344  0.15337181  1.01300453
   0.86209294  0.11449138  0.36294926
   0.60171932  0.42319429  0.12101963
   0.85523807  0.31862382  0.18291586
   0.62386038  0.19026668  0.50353784
   0.88832775  0.11749986  0.87797870
   0.57005490  0.45810843  0.61181974
   0.74464808  0.37160860  0.79607080
   0.60545103  0.68008361 -0.00266088
   0.93829066  0.60823543  0.37654644
   0.56602304  0.91837645  0.13036394
   0.81856683  0.85522091  0.25157932
   0.65662561  0.64934142  0.45700801
   0.86239619  0.62352042  0.87686266
   0.60312333  0.92778729  0.63536731
   0.83256391  0.87242021  0.74983459
   0.05029672  0.08230475  0.12327225
   0.33625197  0.19168423  0.28258713
   0.12723524  0.33101819  0.03209069
   0.33630731  0.45562756  0.34711394
   0.51301643  0.36553387  0.20950705
   0.25495649  0.39748559  0.17794944
   0.25983199  0.10208276  0.46095399
   0.01841580  0.14450040  0.38623517
   0.04243762  0.06424757  0.56065243
   0.43715408  0.26154042  0.76792601
   0.08697531  0.32063289  0.51718307
   0.32863693  0.49366529  0.83564367
   0.41291393  0.47650611  0.65530304
   0.19665790  0.35656907  0.71171565
   0.26888764  0.22953535 -0.10823529
   0.03224778  0.14831413  0.91974959
   0.06051111  0.57524005  0.09205479
   0.36326698  0.70529126  0.28242988
   0.12101551  0.82885976  0.04706605
   0.39792050  0.93988028  0.33726115
   0.40930316  0.92279661  0.15126652
   0.15572374  0.86645509  0.24142275
   0.33308777  0.66590082  0.47090615
   0.06742813  0.68200400  0.41496032
   0.15317950  0.56763600  0.58874430
   0.31412665  0.73108113  0.77411817
   0.15677339  0.82130698  0.54671457
   0.39907069  1.00959921  0.80659755
   0.44034029  0.90768172  0.63389735
   0.17373999  0.92780251  0.71159914
   0.26732582  0.64158308 -0.03321620
   0.00538762  0.68120831  0.91492292
   0.60834464  0.07475166  0.11150035
   0.80820345  0.19398057  0.26214648
   0.61173379  0.31160250  0.04339293
   0.98014880  0.44921316  0.36667846
   0.00864799  0.35982707  0.20500399
   0.74755311  0.44193433  0.17918077
   0.77357930  0.18484685  0.45354645
   0.51934641  0.13346710  0.43385172
   0.63042948  0.09358234  0.59708885
   0.84211343  0.22488584  0.78940324
   0.56861371  0.34012286  0.53618110
   0.86987319  0.47283603  0.83921284
   0.94839337  0.42679711  0.66115296
   0.68832306  0.40732709  0.68811889
   0.78080441  0.12664023  0.97353736
   0.52236557  0.13481673  0.93203492
   0.56402884  0.57558918  0.08022520
   0.86928694  0.70445365  0.29313725
   0.60434312  0.84038165  0.03099300
   0.84065864  0.95329045  0.34657279
   0.91664625  0.86496124  0.16104265
   0.65941333  0.87936643  0.22709646
   0.81903498  0.61452097  0.46528725
   0.56371194  0.56666305  0.38316543
   0.60174217  0.60034696  0.56118878
   0.80911171  0.71326800  0.78821780
   0.63904922  0.79911313  0.42379186
   0.90971392  0.97786490  0.81237629
   0.92015820  0.87469956  0.65205062
   0.67186333  0.91221174  0.73968925
   0.76517181  0.64169797  0.96763818
   0.50928078  0.68230849  0.90500248
   0.65293315  0.84215042  0.56393356
   0.69005364  0.88363372  0.41567762
   0.84993052  0.24203686  0.09643647
   1.00088013  0.40607622  0.30290809
   0.30582535  0.12979194  0.65375938
   0.22912551  0.70777809  0.74641626
  -0.04272844  1.12552669  0.12354757
   0.22783559  1.04835033  0.01926131
   0.63477531  0.37559713  0.85717690
   0.87591513  0.44147450  0.61914798
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829690    0.391598    0.040608
    -0.000000    9.901207    0.318676
    -0.000000    0.000000   14.028078
   Si   O    H 
    32    64    10
Direct configuration=  1043
   0.16264202  0.18649590 -0.02432419
   0.37443805  0.08584510  0.37975823
   0.11885254  0.42498134  0.12645036
   0.36288178  0.34624480  0.25681476
   0.10741439  0.16837119  0.48193302
   0.40417710  0.15903948  0.84965130
   0.10138092  0.41293234  0.62028508
   0.34674944  0.39938239  0.74525675
   0.11080149  0.68057040  0.00001613
   0.39788356  0.60250492  0.36953338
   0.06332170  0.91636266  0.14001763
   0.32711029  0.85700249  0.24677178
   0.16911452  0.67881548  0.50590443
   0.35859403  0.64139597  0.86963589
   0.07014344  0.92900994  0.61804326
   0.32572037  0.98426026  0.70317649
   0.63201716  0.15459557  1.01392137
   0.86275603  0.11411640  0.36342696
   0.60069830  0.42340424  0.12092676
   0.85508329  0.31810591  0.18306518
   0.62466142  0.19145652  0.50436566
   0.88812174  0.11657300  0.87836866
   0.57083585  0.45664126  0.61209563
   0.74514694  0.37185384  0.79723402
   0.60659303  0.68088820 -0.00253374
   0.93729599  0.60856737  0.37594065
   0.56499915  0.91810445  0.13051644
   0.81795880  0.85524118  0.25185652
   0.65663337  0.65038846  0.45675623
   0.86183175  0.62274861  0.87737217
   0.60330856  0.92814392  0.63496491
   0.83235110  0.87256702  0.75006145
   0.04941234  0.08329650  0.12317863
   0.33663414  0.19030213  0.28274208
   0.12644159  0.33230711  0.03244436
   0.33903845  0.45197672  0.34663206
   0.51367404  0.36394986  0.20867812
   0.25515838  0.39615846  0.17812936
   0.26010783  0.10106148  0.46123572
   0.01783245  0.14423857  0.38544729
   0.04295284  0.06474745  0.56180685
   0.43880514  0.26035910  0.76735293
   0.08733052  0.32060742  0.51767017
   0.33073270  0.49619864  0.83584268
   0.41372161  0.47744229  0.65579437
   0.19709538  0.35578174  0.71129775
   0.26848134  0.22948632 -0.10847145
   0.03104637  0.14971004  0.92044995
   0.05970402  0.57399959  0.09316321
   0.36364343  0.70568261  0.28248256
   0.11974226  0.82926442  0.04755616
   0.39782702  0.93873214  0.33663692
   0.40860401  0.92364443  0.15193283
   0.15347312  0.86673289  0.24232902
   0.33098998  0.66547840  0.47239690
   0.06864881  0.68335174  0.41612244
   0.15147230  0.56671922  0.58921011
   0.31364207  0.73065564  0.77509175
   0.15748535  0.82229195  0.54649125
   0.39810442  1.00932050  0.80642998
   0.44130123  0.90636859  0.63370051
   0.17207567  0.92747443  0.71157655
   0.26837421  0.64240864 -0.03270707
   0.00679050  0.67986415  0.91520700
   0.60795005  0.07392451  0.11263454
   0.80938822  0.19395416  0.26118683
   0.61146270  0.31185654  0.04384285
   0.98076630  0.44793877  0.36552258
   0.00860438  0.36054638  0.20490206
   0.74623779  0.44258648  0.17881979
   0.77416289  0.18495535  0.45461612
   0.51762561  0.13305695  0.43365636
   0.63055184  0.09511208  0.59820711
   0.84075616  0.22577604  0.78867918
   0.56680123  0.33895719  0.53635743
   0.86920306  0.47179439  0.83871922
   0.95048932  0.42671771  0.66147453
   0.68719026  0.40803878  0.68897197
   0.78334205  0.12656376  0.97282481
   0.52489201  0.13395408  0.93101923
   0.56419445  0.57410411  0.08115296
   0.86880803  0.70468437  0.29382681
   0.60504537  0.83947016  0.03080846
   0.84113842  0.95509332  0.34670707
   0.91644935  0.86529527  0.16061376
   0.65975712  0.87967222  0.22543926
   0.82190236  0.61329534  0.46482242
   0.56642221  0.56684934  0.38293422
   0.60158337  0.60107533  0.56098368
   0.80900052  0.71267141  0.78841597
   0.63884557  0.79836461  0.42484923
   0.91085471  0.97740916  0.81203397
   0.92141578  0.87516038  0.65250877
   0.67053247  0.91094329  0.74050401
   0.76344983  0.64272265  0.96905955
   0.50998725  0.68060019  0.90530472
   0.65969049  0.83977238  0.56658391
   0.69220713  0.88434465  0.42011168
   0.84709870  0.23602927  0.09331192
   1.00125789  0.41614933  0.30791428
   0.30641932  0.12766943  0.65825811
   0.22550972  0.70835997  0.74496469
  -0.03688603  1.12496965  0.12369890
   0.22479106  1.04973479  0.01869730
   0.63276735  0.36946975  0.85906063
   0.88239617  0.44074357  0.61556975
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828954    0.386939    0.045617
    -0.000000    9.902250    0.316194
    -0.000000    0.000000   14.031394
   Si   O    H 
    32    64    10
Direct configuration=  1044
   0.16213647  0.18617109 -0.02442322
   0.37467330  0.08561544  0.38004746
   0.11801110  0.42515758  0.12629672
   0.36229765  0.34541986  0.25649886
   0.10752578  0.16852053  0.48170928
   0.40411501  0.15951649  0.84968594
   0.10317342  0.41292389  0.62080677
   0.34622168  0.40112051  0.74538785
   0.11090592  0.68037609  0.00042094
   0.39865065  0.60226882  0.37015022
   0.06224124  0.91827474  0.13926763
   0.32838151  0.85896489  0.24675313
   0.16923025  0.67886152  0.50666999
   0.35805495  0.64116178  0.87010944
   0.06987966  0.92917626  0.61739079
   0.32476792  0.98473472  0.70276378
   0.63225610  0.15604346  1.01419728
   0.86269408  0.11440521  0.36356421
   0.60015633  0.42319770  0.12118306
   0.85488906  0.31790487  0.18321830
   0.62531001  0.19269136  0.50494801
   0.88717955  0.11571763  0.87837466
   0.57115271  0.45543462  0.61242864
   0.74664203  0.37161974  0.79801210
   0.60728545  0.68201286 -0.00224247
   0.93635046  0.60915845  0.37536778
   0.56457131  0.91759051  0.13023234
   0.81754394  0.85546424  0.25228319
   0.65692738  0.65145806  0.45663942
   0.86115562  0.62158566  0.87755438
   0.60310091  0.92841350  0.63455454
   0.83176278  0.87292266  0.75054023
   0.04943660  0.08328657  0.12342329
   0.33722146  0.18876039  0.28312064
   0.12606416  0.33421726  0.03243189
   0.34174102  0.44906978  0.34649314
   0.51439457  0.36256347  0.20835830
   0.25571286  0.39484109  0.17820464
   0.26034362  0.10025332  0.46158499
   0.01725202  0.14347181  0.38437574
   0.04346991  0.06598199  0.56251616
   0.44042004  0.25942652  0.76654936
   0.08799973  0.32095988  0.51852365
   0.33332329  0.49749228  0.83569414
   0.41506997  0.47917481  0.65597875
   0.19692982  0.35555310  0.71069501
   0.26806463  0.22990914 -0.10878895
   0.02962625  0.15057581  0.92094179
   0.05862892  0.57210089  0.09416820
   0.36410089  0.70595023  0.28239913
   0.11870381  0.83012552  0.04848632
   0.39732733  0.93755195  0.33573338
   0.40627287  0.92465369  0.15221538
   0.15214358  0.86784108  0.24248412
   0.32886444  0.66477395  0.47324513
   0.06906895  0.68364041  0.41642652
   0.15007405  0.56553152  0.58967461
   0.31220144  0.72964018  0.77616154
   0.15821627  0.82357379  0.54590838
   0.39761930  1.00887365  0.80672277
   0.44181030  0.90486034  0.63297745
   0.16965870  0.92758911  0.71157242
   0.26922360  0.64277588 -0.03232974
   0.00866273  0.67840019  0.91573494
   0.60764611  0.07322292  0.11286725
   0.81004831  0.19336698  0.26054742
   0.61192779  0.31314530  0.04395906
   0.98027343  0.44770845  0.36463130
   0.00829888  0.36085864  0.20520258
   0.74542334  0.44326790  0.17790008
   0.77461755  0.18509821  0.45543939
   0.51572348  0.13316607  0.43290070
   0.63134835  0.09621682  0.59998156
   0.83908488  0.22595866  0.78844986
   0.56529922  0.33767603  0.53635560
   0.86793046  0.47110795  0.83798643
   0.95230380  0.42671580  0.66159724
   0.68582742  0.40884187  0.68989565
   0.78581499  0.12630942  0.97150721
   0.52670133  0.13234391  0.93010678
   0.56465261  0.57320913  0.08181024
   0.86798390  0.70570332  0.29433674
   0.60448219  0.83972936  0.03085740
   0.84145236  0.95743717  0.34728177
   0.91597824  0.86458488  0.15967722
   0.66001676  0.88061944  0.22354135
   0.82506894  0.61213818  0.46490234
   0.56867110  0.56725576  0.38245160
   0.60118542  0.60141870  0.56128173
   0.80902572  0.71338181  0.78822137
   0.63833390  0.79879766  0.42580776
   0.91051837  0.97780270  0.81227200
   0.92319248  0.87434966  0.65298261
   0.66971166  0.91010965  0.74104924
   0.76136902  0.64330533  0.97039097
   0.51133056  0.67793631  0.90589323
   0.66948614  0.83920988  0.56849767
   0.69030014  0.87458271  0.42608093
   0.84505564  0.23203764  0.09179623
   1.00273466  0.41738765  0.30250769
   0.30990036  0.11997786  0.66338534
   0.22701661  0.70955964  0.74301145
  -0.04024287  1.12946097  0.12426642
   0.22489420  1.05709639  0.01371293
   0.62697782  0.36343144  0.86113142
   0.88121295  0.44040435  0.61045491
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828441    0.381978    0.050281
    -0.000000    9.902902    0.314790
    -0.000000    0.000000   14.034830
   Si   O    H 
    32    64    10
Direct configuration=  1045
   0.16166597  0.18595355 -0.02386538
   0.37538307  0.08587370  0.38019414
   0.11714842  0.42495650  0.12607860
   0.36287725  0.34535621  0.25625369
   0.10780743  0.16873171  0.48136205
   0.40430601  0.16015445  0.85003622
   0.10506324  0.41250387  0.62116117
   0.34597196  0.40218119  0.74535000
   0.11133165  0.68086628  0.00097417
   0.39948883  0.60186217  0.37080573
   0.06128360  0.91934112  0.13833238
   0.32976246  0.86118422  0.24651678
   0.16940655  0.67922726  0.50752518
   0.35789712  0.64135526  0.87086245
   0.07053059  0.92857521  0.61655249
   0.32439093  0.98505650  0.70230619
   0.63275299  0.15722331  1.01411584
   0.86223918  0.11459775  0.36378498
   0.59952594  0.42260007  0.12183424
   0.85492691  0.31702227  0.18342303
   0.62473608  0.19377791  0.50594707
   0.88614847  0.11505399  0.87795786
   0.57094815  0.45429191  0.61260437
   0.74798679  0.37160081  0.79882539
   0.60831385  0.68349287 -0.00196107
   0.93547946  0.60936080  0.37499463
   0.56435845  0.91727811  0.12976551
   0.81689193  0.85544985  0.25326695
   0.65739597  0.65177941  0.45656420
   0.86033078  0.62081609  0.87775106
   0.60245909  0.92889081  0.63410299
   0.83103171  0.87249260  0.75089811
   0.05003085  0.08283486  0.12383868
   0.33733297  0.18599345  0.28365617
   0.12527697  0.33574656  0.03165848
   0.34393421  0.44587449  0.34668057
   0.51511968  0.36230769  0.20869066
   0.25682701  0.39419117  0.17823825
   0.26097342  0.09900326  0.46136468
   0.01780330  0.14269051  0.38352407
   0.04409523  0.06765301  0.56318652
   0.44263080  0.25833864  0.76542251
   0.08860283  0.32255472  0.51967067
   0.33547109  0.49748287  0.83578853
   0.41629669  0.48028818  0.65608384
   0.19621506  0.35532573  0.71008673
   0.26746171  0.23010396 -0.10884896
   0.02852547  0.15250153  0.92161178
   0.05810518  0.57195492  0.09438919
   0.36516316  0.70613952  0.28163713
   0.11757516  0.83110596  0.04963499
   0.39712011  0.93604912  0.33538005
   0.40345649  0.92490838  0.15271685
   0.15105120  0.86969011  0.24254283
   0.32721512  0.66420435  0.47359394
   0.06969060  0.68383233  0.41675969
   0.14927558  0.56372094  0.59077997
   0.31020484  0.72935260  0.77642878
   0.15963213  0.82536367  0.54620981
   0.39758189  1.00733369  0.80702913
   0.44248192  0.90429438  0.63217172
   0.16752075  0.92741945  0.71128301
   0.26947970  0.64333841 -0.03133920
   0.01031201  0.67702713  0.91558597
   0.60747904  0.07220173  0.11286905
   0.81150717  0.19338090  0.26028054
   0.61222022  0.31424906  0.04348024
   0.97988580  0.44816929  0.36424533
   0.00809473  0.36089390  0.20554346
   0.74529115  0.44369315  0.17684689
   0.77507562  0.18521183  0.45611342
   0.51375556  0.13301132  0.43203966
   0.63157611  0.09687208  0.60207122
   0.83732394  0.22596734  0.78819610
   0.56247468  0.33687862  0.53626212
   0.86633149  0.47081076  0.83718195
   0.95364184  0.42691623  0.66127930
   0.68430678  0.41028807  0.69085762
   0.78807964  0.12574793  0.96994202
   0.52763700  0.13005227  0.92939719
   0.56432498  0.57294523  0.08299374
   0.86690712  0.70640972  0.29491524
   0.60472283  0.83969913  0.03105044
   0.84140491  0.95938471  0.34763599
   0.91474363  0.86328573  0.15963202
   0.66074716  0.88115129  0.22128988
   0.82744232  0.61177642  0.46435867
   0.56927014  0.56767040  0.38202980
   0.60116513  0.60169955  0.56168588
   0.80865992  0.71431045  0.78777348
   0.63724138  0.79937558  0.42710520
   0.91054457  0.97816612  0.81354325
   0.92470493  0.87316150  0.65385165
   0.66884513  0.90943780  0.74119892
   0.75936719  0.64407248  0.97147588
   0.51203246  0.67450382  0.90559652
   0.67982849  0.83940505  0.57055741
   0.69477886  0.87346792  0.43122940
   0.84497131  0.23131629  0.09558247
   1.00690665  0.41872835  0.29644133
   0.31381408  0.11783346  0.66693243
   0.22969610  0.70850308  0.73994848
  -0.04412750  1.13459422  0.12461461
   0.22413234  1.06481437  0.01027816
   0.62295401  0.35982306  0.86267159
   0.88405086  0.43684454  0.61244869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827667    0.377518    0.055737
    -0.000000    9.903405    0.313420
    -0.000000    0.000000   14.037874
   Si   O    H 
    32    64    10
Direct configuration=  1046
   0.16178262  0.18588879 -0.02387768
   0.37626730  0.08633390  0.38030840
   0.11623760  0.42404816  0.12574087
   0.36367696  0.34473785  0.25642955
   0.10781400  0.16907591  0.48119242
   0.40408382  0.16028946  0.85059477
   0.10669926  0.41170050  0.62135329
   0.34477445  0.40320981  0.74574746
   0.11181783  0.68204878  0.00159299
   0.40046720  0.60126680  0.37149017
   0.06081909  0.91954225  0.13800871
   0.33025371  0.86285952  0.24635178
   0.16941614  0.67918773  0.50802627
   0.35742174  0.64171718  0.87140986
   0.07087104  0.92804892  0.61583774
   0.32431970  0.98486145  0.70196323
   0.63322448  0.15863508  1.01410744
   0.86173582  0.11555161  0.36336548
   0.60004487  0.42211116  0.12257389
   0.85472508  0.31583322  0.18379369
   0.62454451  0.19440417  0.50633995
   0.88559210  0.11474873  0.87730774
   0.57057748  0.45339733  0.61287653
   0.74928203  0.37144729  0.80017121
   0.60944656  0.68516318 -0.00164671
   0.93452839  0.60907534  0.37510768
   0.56440234  0.91742033  0.12908780
   0.81673787  0.85570552  0.25395781
   0.65828817  0.65117687  0.45643523
   0.85951439  0.62024873  0.87824687
   0.60189129  0.92901759  0.63415124
   0.83001703  0.87241989  0.75083537
   0.04955198  0.08321181  0.12384109
   0.33775262  0.18302124  0.28432851
   0.12532276  0.33673567  0.03102305
   0.34567710  0.44282280  0.34636657
   0.51475264  0.36196117  0.20930750
   0.25734035  0.39354792  0.17833924
   0.26105289  0.09848072  0.46129118
   0.01849902  0.14241045  0.38257723
   0.04535348  0.06935511  0.56364457
   0.44403579  0.25795919  0.76399023
   0.08959099  0.32368352  0.52077927
   0.33812271  0.49695633  0.83592637
   0.41676002  0.48177907  0.65605710
   0.19509556  0.35476020  0.70972470
   0.26730144  0.23033637 -0.10808441
   0.02704617  0.15408493  0.92224891
   0.05767363  0.57294547  0.09451660
   0.36696731  0.70575972  0.28053834
   0.11690524  0.83267197  0.05069688
   0.39732412  0.93516173  0.33518098
   0.40094338  0.92573360  0.15272683
   0.15085813  0.87143181  0.24230235
   0.32609789  0.66374518  0.47344298
   0.07036837  0.68344396  0.41679292
   0.14869915  0.56216349  0.59149045
   0.30845506  0.72963752  0.77623507
   0.16070885  0.82770284  0.54725371
   0.39768794  1.00557812  0.80835077
   0.44291812  0.90312605  0.63100921
   0.16541314  0.92735330  0.71071005
   0.26921914  0.64436216 -0.03063972
   0.01144926  0.67593968  0.91490338
   0.60716557  0.07144122  0.11304386
   0.81173184  0.19338857  0.26045806
   0.61272932  0.31520626  0.04247254
   0.97956539  0.44943854  0.36322865
   0.00763279  0.36054200  0.20555249
   0.74489555  0.44411167  0.17607117
   0.77641951  0.18530139  0.45632508
   0.51216917  0.13267695  0.43094220
   0.63148001  0.09670593  0.60402285
   0.83573060  0.22585455  0.78791386
   0.56105993  0.33627945  0.53652324
   0.86533572  0.46997125  0.83667590
   0.95403514  0.42655796  0.66098930
   0.68277636  0.41188808  0.69175480
   0.79003139  0.12587507  0.96821679
   0.52768063  0.12774447  0.92829738
   0.56379497  0.57350218  0.08419971
   0.86640740  0.70764655  0.29526292
   0.60534662  0.84011461  0.03175975
   0.84123279  0.96157163  0.34778982
   0.91326668  0.86212551  0.15991522
   0.66178641  0.88206101  0.21928231
   0.82955777  0.61097427  0.46354342
   0.57008513  0.56819278  0.38156107
   0.60060285  0.60178425  0.56210662
   0.80874432  0.71523656  0.78778605
   0.63609724  0.80051714  0.42866176
   0.90973566  0.97815719  0.81434713
   0.92623320  0.87197765  0.65388009
   0.66871655  0.90896067  0.74120770
   0.75802995  0.64537878  0.97241888
   0.51186320  0.67135696  0.90570514
   0.68852534  0.84325148  0.57312188
   0.70697359  0.87830677  0.43667106
   0.84893483  0.23701042  0.10044403
   1.00962773  0.42400242  0.29364342
   0.31408637  0.12291418  0.66498329
   0.23307595  0.70686327  0.73896759
  -0.04326343  1.13474048  0.12416720
   0.22591961  1.06764506  0.01034237
   0.62306987  0.36076427  0.86389146
   0.88710475  0.43411326  0.61465650
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826653    0.373027    0.060771
    -0.000000    9.903709    0.311545
    -0.000000    0.000000   14.041321
   Si   O    H 
    32    64    10
Direct configuration=  1047
   0.16204628  0.18600919 -0.02396174
   0.37723476  0.08681109  0.38042854
   0.11537594  0.42297443  0.12486832
   0.36457016  0.34365459  0.25740471
   0.10763439  0.16950012  0.48121144
   0.40431539  0.16069466  0.85102848
   0.10745029  0.41081732  0.62184805
   0.34313177  0.40394546  0.74560574
   0.11232195  0.68373986  0.00258585
   0.40157511  0.60056766  0.37189910
   0.06081832  0.91970569  0.13786741
   0.33052271  0.86414965  0.24640635
   0.16946961  0.67907432  0.50842221
   0.35614722  0.64270735  0.87170733
   0.07109388  0.92728701  0.61524824
   0.32418512  0.98505377  0.70227511
   0.63348913  0.16022367  1.01384214
   0.86157997  0.11682204  0.36343419
   0.60093000  0.42214927  0.12344042
   0.85370193  0.31373091  0.18452162
   0.62394707  0.19449587  0.50675835
   0.88542434  0.11504077  0.87624892
   0.56972183  0.45248066  0.61318479
   0.75061078  0.37081399  0.80148620
   0.61048155  0.68652916 -0.00152003
   0.93398426  0.60929363  0.37556159
   0.56490623  0.91772617  0.12825578
   0.81697250  0.85594328  0.25503801
   0.65929442  0.65000924  0.45646901
   0.85894930  0.61966547  0.87899031
   0.60149287  0.92932007  0.63423396
   0.82939797  0.87275206  0.75087714
   0.04912494  0.08380275  0.12421219
   0.33867583  0.18147744  0.28501884
   0.12555821  0.33658732  0.03039075
   0.34775784  0.44066211  0.34668068
   0.51442771  0.36149298  0.20988391
   0.25744282  0.39373966  0.17809698
   0.26104017  0.09815368  0.46097019
   0.01929472  0.14222508  0.38232980
   0.04593799  0.07146097  0.56418197
   0.44469588  0.25839115  0.76184519
   0.09036855  0.32466664  0.52205180
   0.34009013  0.49577694  0.83554916
   0.41763296  0.48268030  0.65632397
   0.19371559  0.35427947  0.70977543
   0.26692740  0.22988960 -0.10675687
   0.02511538  0.15509432  0.92207215
   0.05753261  0.57345466  0.09391622
   0.36877923  0.70469307  0.27958356
   0.11696622  0.83481146  0.05113626
   0.39662550  0.93436366  0.33535527
   0.39906445  0.92593609  0.15262438
   0.15157919  0.87383111  0.24122581
   0.32538708  0.66313708  0.47292946
   0.07018019  0.68249946  0.41645251
   0.14767228  0.56127227  0.59149635
   0.30752599  0.73019142  0.77634188
   0.16093820  0.82982009  0.54800277
   0.39752135  1.00406911  0.80992672
   0.44291222  0.90258041  0.63005870
   0.16392543  0.92734821  0.71035278
   0.26875055  0.64598361 -0.02953969
   0.01134632  0.67489718  0.91439921
   0.60707589  0.07218719  0.11311226
   0.81104052  0.19402494  0.26096933
   0.61369388  0.31547661  0.04147349
   0.97972988  0.45046090  0.36178404
   0.00773164  0.36029590  0.20564790
   0.74546448  0.44474246  0.17531817
   0.77769535  0.18450435  0.45660142
   0.51172795  0.13238522  0.42975096
   0.63175125  0.09690248  0.60608534
   0.83463861  0.22499212  0.78814502
   0.55957724  0.33635681  0.53704488
   0.86367209  0.46930350  0.83623880
   0.95519140  0.42597621  0.66130755
   0.68164672  0.41399560  0.69261485
   0.79123033  0.12604420  0.96700575
   0.52781287  0.12586589  0.92675471
   0.56343580  0.57425246  0.08490970
   0.86667883  0.70883779  0.29579122
   0.60535387  0.84121484  0.03280925
   0.84167245  0.96209737  0.34766012
   0.91092221  0.86200173  0.16000140
   0.66207378  0.88228496  0.21754860
   0.83102396  0.60926871  0.46294933
   0.56965657  0.56910238  0.38115820
   0.60096072  0.60086528  0.56221298
   0.80880523  0.71625534  0.78783989
   0.63546003  0.80250235  0.43007674
   0.90823621  0.97782978  0.81562576
   0.92728276  0.87109469  0.65415455
   0.66817047  0.90894942  0.74137628
   0.75749282  0.64584376  0.97259502
   0.51193811  0.66861171  0.90569963
   0.69453938  0.84736755  0.57654263
   0.70614831  0.87708221  0.43972499
   0.85607691  0.24049318  0.10155455
   1.00761625  0.42618772  0.29804567
   0.31361282  0.12668661  0.66009852
   0.23278317  0.70226823  0.73953647
  -0.03590265  1.13308016  0.12403634
   0.22927388  1.06527867  0.01356430
   0.62419138  0.36166834  0.86393377
   0.88051917  0.43528153  0.61395351
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825659    0.368651    0.065595
    -0.000000    9.904088    0.309701
    -0.000000    0.000000   14.045067
   Si   O    H 
    32    64    10
Direct configuration=  1048
   0.16178118  0.18671929 -0.02432531
   0.37794643  0.08679303  0.38054221
   0.11426803  0.42174677  0.12405742
   0.36552117  0.34244121  0.25850243
   0.10721391  0.16964367  0.48112118
   0.40511149  0.16093510  0.85201506
   0.10764613  0.40972792  0.62253208
   0.34177194  0.40411765  0.74517307
   0.11305289  0.68552633  0.00418118
   0.40296154  0.59982105  0.37202448
   0.06087450  0.92028633  0.13803876
   0.33044257  0.86469418  0.24679709
   0.16940732  0.67894631  0.50874409
   0.35506270  0.64392584  0.87187418
   0.07190008  0.92667806  0.61466429
   0.32418618  0.98553311  0.70241457
   0.63443932  0.16113805  1.01327914
   0.86061856  0.11848690  0.36342717
   0.60118389  0.42244249  0.12469839
   0.85259269  0.31196056  0.18546888
   0.62379830  0.19437512  0.50698914
   0.88580874  0.11527645  0.87476317
   0.56901797  0.45207219  0.61362165
   0.75190327  0.36976195  0.80256994
   0.61118663  0.68754733 -0.00090318
   0.93353214  0.60946326  0.37611533
   0.56473798  0.91798340  0.12773584
   0.81744694  0.85645770  0.25569407
   0.66017401  0.64893882  0.45719230
   0.85863030  0.61923432  0.87965417
   0.60144273  0.92995975  0.63403560
   0.82881442  0.87318087  0.75068908
   0.04849765  0.08457124  0.12440258
   0.33960794  0.18074345  0.28571924
   0.12505924  0.33518752  0.03022709
   0.34890627  0.44078468  0.34727993
   0.51321617  0.36083772  0.21007640
   0.25694148  0.39450030  0.17809617
   0.26101304  0.09769409  0.46129418
   0.01931665  0.14180677  0.38318896
   0.04611227  0.07358816  0.56443519
   0.44481645  0.25907675  0.76012695
   0.09109914  0.32550000  0.52312893
   0.34150933  0.49436742  0.83558799
   0.41802667  0.48395795  0.65707147
   0.19335394  0.35384255  0.70970759
   0.26687637  0.22960509 -0.10588073
   0.02300793  0.15626685  0.92188774
   0.05751452  0.57359784  0.09315346
   0.37023953  0.70409912  0.27880782
   0.11704556  0.83650537  0.05156474
   0.39540466  0.93398028  0.33600725
   0.39670774  0.92539265  0.15186905
   0.15324418  0.87711354  0.24000539
   0.32549928  0.66166979  0.47197531
   0.07000355  0.68180645  0.41649047
   0.14710057  0.56092781  0.59162842
   0.30647192  0.73086261  0.77652846
   0.16144627  0.83110444  0.54896652
   0.39720614  1.00265012  0.81136837
   0.44193726  0.90203482  0.62941504
   0.16322321  0.92803754  0.70970602
   0.26766721  0.64725184 -0.02903128
   0.01081793  0.67420049  0.91392410
   0.60705698  0.07392914  0.11288998
   0.81062795  0.19496633  0.26167928
   0.61478176  0.31585894  0.03990264
   0.97992017  0.45150701  0.36031443
   0.00818011  0.36041870  0.20492337
   0.74678265  0.44536159  0.17439066
   0.77818903  0.18359090  0.45637565
   0.51183388  0.13219459  0.42899117
   0.63159180  0.09669347  0.60793750
   0.83429037  0.22387680  0.78876046
   0.55868827  0.33705495  0.53736049
   0.86231791  0.46935981  0.83592024
   0.95574075  0.42560671  0.66237540
   0.68135866  0.41633869  0.69399863
   0.79194066  0.12587480  0.96645337
   0.52855743  0.12410376  0.92576900
   0.56367332  0.57578388  0.08575962
   0.86701496  0.70957117  0.29619440
   0.60548549  0.84181923  0.03367691
   0.84238205  0.96249947  0.34716508
   0.90902512  0.86264954  0.15971498
   0.66214477  0.88263562  0.21611575
   0.83095718  0.60739801  0.46249923
   0.56837735  0.57025207  0.38112873
   0.60193558  0.59992226  0.56226674
   0.80936521  0.71829115  0.78804557
   0.63502889  0.80564415  0.43144356
   0.90712342  0.97822320  0.81667441
   0.92759357  0.87062731  0.65460723
   0.66757770  0.90942943  0.74109879
   0.75825469  0.64509180  0.97232040
   0.51303152  0.66575091  0.90575323
   0.70125167  0.85185124  0.57723316
   0.69867033  0.86884502  0.44143952
   0.86286592  0.24408246  0.09993266
   1.00308844  0.42710103  0.30168074
   0.31139278  0.12469997  0.65556509
   0.22834943  0.69704887  0.73853875
  -0.03526939  1.13351616  0.12495159
   0.23494643  1.05998224  0.01762186
   0.62645076  0.36565350  0.86046912
   0.87630260  0.43792632  0.61408725
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824994    0.364262    0.069844
    -0.000000    9.904356    0.307887
    -0.000000    0.000000   14.048823
   Si   O    H 
    32    64    10
Direct configuration=  1049
   0.16144126  0.18767946 -0.02424891
   0.37820451  0.08658400  0.38096379
   0.11324952  0.42067673  0.12346374
   0.36656609  0.34152423  0.25932470
   0.10680611  0.16944525  0.48088553
   0.40624806  0.16133832  0.85299941
   0.10737642  0.40837106  0.62260558
   0.34099734  0.40388444  0.74494571
   0.11285387  0.68747454  0.00534891
   0.40421394  0.59921422  0.37173265
   0.06066775  0.92063823  0.13821898
   0.33002892  0.86473489  0.24744756
   0.16919125  0.67886282  0.50822716
   0.35409286  0.64525662  0.87209794
   0.07208764  0.92620835  0.61455431
   0.32472195  0.98579811  0.70292206
   0.63501974  0.16155463  1.01235233
   0.85990223  0.12031521  0.36386843
   0.60102540  0.42281207  0.12589221
   0.85151930  0.31055952  0.18633886
   0.62384437  0.19348912  0.50705020
   0.88659091  0.11481000  0.87315534
   0.56802507  0.45212518  0.61447427
   0.75289739  0.36838939  0.80341665
   0.61166486  0.68883650 -0.00046645
   0.93442414  0.60964722  0.37701294
   0.56391582  0.91825643  0.12770098
   0.81790437  0.85693431  0.25607644
   0.66096658  0.64743180  0.45785349
   0.85844740  0.61875197  0.88027814
   0.60100558  0.93087848  0.63431757
   0.82846821  0.87366779  0.75094400
   0.04833543  0.08481744  0.12519827
   0.34023467  0.18125582  0.28606189
   0.12517878  0.33279956  0.03000760
   0.34998233  0.44173741  0.34826656
   0.51213249  0.35948865  0.21015944
   0.25725926  0.39540746  0.17754250
   0.26112082  0.09749672  0.46148021
   0.01904418  0.14153227  0.38398491
   0.04605980  0.07494680  0.56508821
   0.44558080  0.25997972  0.75896925
   0.09138229  0.32632445  0.52432554
   0.34187126  0.49327750  0.83520141
   0.41891361  0.48545337  0.65843299
   0.19342022  0.35299448  0.70993501
   0.26676048  0.22850029 -0.10519028
   0.02101748  0.15668210  0.92146550
   0.05743698  0.57343068  0.09183052
   0.37083075  0.70394032  0.27776100
   0.11717488  0.83760249  0.05132687
   0.39433096  0.93428839  0.33633262
   0.39527221  0.92412914  0.15028253
   0.15555142  0.88035712  0.23865023
   0.32641018  0.65936420  0.47059129
   0.07011139  0.68136651  0.41661876
   0.14728369  0.56096925  0.59169335
   0.30573584  0.73114736  0.77602941
   0.16179874  0.83158094  0.55002767
   0.39664756  1.00195077  0.81269302
   0.44098254  0.90185570  0.62881821
   0.16323394  0.92908800  0.70933790
   0.26678916  0.64861421 -0.02861091
   0.01029738  0.67266819  0.91305742
   0.60715206  0.07537693  0.11232557
   0.80998259  0.19646177  0.26247976
   0.61602431  0.31514829  0.03845882
   0.97920168  0.45337060  0.35997163
   0.00791288  0.36052100  0.20449787
   0.74786890  0.44602981  0.17348235
   0.77818605  0.18340653  0.45622517
   0.51277404  0.13146790  0.42885866
   0.63169037  0.09720047  0.60947564
   0.83404188  0.22244782  0.78942393
   0.55801472  0.33747920  0.53781893
   0.86156121  0.46968503  0.83571140
   0.95591974  0.42463154  0.66324832
   0.68149312  0.41835729  0.69562712
   0.79164527  0.12605873  0.96619920
   0.52956029  0.12254972  0.92498795
   0.56351638  0.57778730  0.08657642
   0.86813895  0.71013070  0.29671007
   0.60522262  0.84262802  0.03488177
   0.84294217  0.96233215  0.34665749
   0.90784840  0.86231815  0.15975271
   0.66180975  0.88327671  0.21475945
   0.82927950  0.60529252  0.46306688
   0.56622280  0.57132795  0.38106237
   0.60318842  0.59966924  0.56281585
   0.80999027  0.72001751  0.78819933
   0.63454284  0.80765489  0.43245387
   0.90663248  0.97837148  0.81797519
   0.92737519  0.86974548  0.65450892
   0.66774086  0.91013362  0.74095322
   0.75888377  0.64419275  0.97230740
   0.51419442  0.66326757  0.90626420
   0.70374614  0.85462277  0.57705994
   0.70167211  0.87043141  0.44502790
   0.87003858  0.24784647  0.09419912
   1.00511219  0.41956991  0.29343117
   0.30845814  0.12344014  0.65139097
   0.22966356  0.69430174  0.73910346
  -0.04113578  1.13440667  0.12461049
   0.23695981  1.05958056  0.02249741
   0.62960872  0.37082150  0.85500092
   0.88102669  0.43702773  0.61997905
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824106    0.360382    0.074050
    -0.000000    9.904480    0.305704
    -0.000000    0.000000   14.052367
   Si   O    H 
    32    64    10
Direct configuration=  1050
   0.16111993  0.18863962 -0.02434546
   0.37839161  0.08623442  0.38098727
   0.11182659  0.41907308  0.12306038
   0.36800161  0.34089882  0.25979669
   0.10639105  0.16933923  0.48075052
   0.40770984  0.16128813  0.85347713
   0.10659153  0.40709740  0.62237984
   0.34086265  0.40279335  0.74470093
   0.11206490  0.68915647  0.00652648
   0.40503282  0.59854291  0.37164329
   0.06011532  0.92074857  0.13886010
   0.32952453  0.86429351  0.24764147
   0.16892048  0.67911087  0.50760241
   0.35373101  0.64667317  0.87256966
   0.07210046  0.92620689  0.61465908
   0.32493456  0.98642328  0.70342578
   0.63482784  0.16158889  1.01065801
   0.85983336  0.12193893  0.36391076
   0.60049686  0.42372063  0.12667670
   0.85001974  0.30967367  0.18716480
   0.62332443  0.19251024  0.50705951
   0.88806895  0.11456172  0.87153380
   0.56727211  0.45281411  0.61563975
   0.75407587  0.36666433  0.80335765
   0.61128224  0.68961632 -0.00026995
   0.93541881  0.60939818  0.37782909
   0.56268083  0.91863392  0.12753521
   0.81806483  0.85732562  0.25618529
   0.66139975  0.64728766  0.45848494
   0.85785445  0.61853572  0.88044713
   0.60154062  0.93163394  0.63426112
   0.82904769  0.87386156  0.75078508
   0.04818816  0.08476547  0.12602791
   0.34075140  0.18251689  0.28557079
   0.12457872  0.32994201  0.02975922
   0.35048523  0.44281131  0.34916518
   0.51045011  0.35815579  0.20998965
   0.25778699  0.39681556  0.17703334
   0.26055396  0.09781225  0.46211572
   0.01846411  0.14114181  0.38467552
   0.04609087  0.07632050  0.56564570
   0.44555574  0.26155208  0.75775382
   0.09218977  0.32644292  0.52492747
   0.34184025  0.49261118  0.83453156
   0.41902363  0.48591715  0.65958244
   0.19382358  0.35151513  0.71062977
   0.26711397  0.22862652 -0.10478448
   0.02021186  0.15754173  0.92131977
   0.05771422  0.57379757  0.09025611
   0.37172735  0.70373279  0.27723188
   0.11657771  0.83838527  0.05096682
   0.39299630  0.93552533  0.33656397
   0.39389254  0.92317786  0.14884177
   0.15770604  0.88336153  0.23773236
   0.32729586  0.65793141  0.46839681
   0.07085900  0.68083923  0.41621801
   0.14771624  0.56073686  0.59174297
   0.30495253  0.73176213  0.77577519
   0.16275951  0.83172593  0.55052675
   0.39523021  1.00114271  0.81391335
   0.43963431  0.90125514  0.62877892
   0.16375106  0.93037029  0.70896897
   0.26682927  0.64973517 -0.02796325
   0.00982944  0.67221796  0.91245707
   0.60705592  0.07655371  0.11126607
   0.80958725  0.19800105  0.26345680
   0.61734256  0.31552008  0.03757030
   0.97850138  0.45487070  0.35902331
   0.00765895  0.36053170  0.20374626
   0.74886988  0.44624679  0.17234690
   0.77699908  0.18328051  0.45641792
   0.51429923  0.13059526  0.42917925
   0.63156841  0.09759022  0.61043095
   0.83385075  0.22174571  0.79038858
   0.55739951  0.33778841  0.53878297
   0.86072331  0.47070261  0.83562843
   0.95562334  0.42382158  0.66446797
   0.68203152  0.42050351  0.69688539
   0.79026397  0.12607971  0.96632145
   0.53027982  0.12092147  0.92424157
   0.56339936  0.57947931  0.08738632
   0.86907537  0.71005724  0.29693593
   0.60475524  0.84301503  0.03610277
   0.84385323  0.96234160  0.34644401
   0.90705822  0.86257842  0.15982221
   0.66151428  0.88307904  0.21374067
   0.82721527  0.60389117  0.46387542
   0.56451790  0.57209851  0.38093886
   0.60457135  0.59988370  0.56339728
   0.81105254  0.72205063  0.78876976
   0.63382457  0.80946195  0.43239724
   0.90578162  0.97873239  0.81936541
   0.92718020  0.86809932  0.65412860
   0.66734887  0.91103904  0.74137698
   0.76041579  0.64327826  0.97197864
   0.51501759  0.66124036  0.90690454
   0.70538305  0.85647211  0.57652161
   0.70744380  0.87460769  0.45023329
   0.87464307  0.25076103  0.08762815
   1.00316946  0.41433162  0.29187473
   0.30318464  0.12155051  0.65121177
   0.23204916  0.69233218  0.74219409
  -0.04784351  1.13355180  0.12468236
   0.23686055  1.06566818  0.02713790
   0.62873187  0.37524994  0.85188025
   0.88237462  0.43933942  0.62588411
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822955    0.356374    0.077545
    -0.000000    9.904358    0.302882
    -0.000000    0.000000   14.055755
   Si   O    H 
    32    64    10
Direct configuration=  1051
   0.16135445  0.18872377 -0.02442889
   0.37847367  0.08614314  0.38086100
   0.11080855  0.41796542  0.12277732
   0.36887945  0.34020572  0.26025653
   0.10621951  0.16942493  0.48060698
   0.40935518  0.16116424  0.85342424
   0.10604683  0.40578993  0.62187212
   0.34044136  0.40145218  0.74450883
   0.11173493  0.69092099  0.00766210
   0.40596141  0.59804058  0.37185544
   0.05945220  0.92023454  0.13987738
   0.32915780  0.86360733  0.24774158
   0.16909814  0.67950341  0.50723205
   0.35455122  0.64783072  0.87277611
   0.07226129  0.92666698  0.61501330
   0.32551772  0.98718140  0.70389791
   0.63485711  0.16059918  1.00917332
   0.86003050  0.12296969  0.36414023
   0.59981028  0.42443222  0.12730134
   0.84933810  0.30850516  0.18735420
   0.62317025  0.19173387  0.50702703
   0.88946400  0.11453099  0.86998616
   0.56700277  0.45372090  0.61648112
   0.75444235  0.36470256  0.80277939
   0.61022514  0.68968941  0.00048468
   0.93640384  0.60909493  0.37847981
   0.56116880  0.91952176  0.12785240
   0.81807729  0.85785596  0.25596141
   0.66166850  0.64721834  0.45928294
   0.85718788  0.61903624  0.88053753
   0.60226699  0.93236188  0.63448580
   0.82993397  0.87440444  0.75010902
   0.04780012  0.08554268  0.12737306
   0.34092220  0.18366230  0.28500823
   0.12363995  0.32731769  0.02938196
   0.35058182  0.44383146  0.34970976
   0.51025688  0.35687193  0.20957178
   0.25855129  0.39856442  0.17697684
   0.25944967  0.09847053  0.46275254
   0.01798964  0.14072972  0.38528543
   0.04500493  0.07737768  0.56608757
   0.44490364  0.26366886  0.75686254
   0.09318566  0.32593227  0.52494981
   0.34265344  0.49156572  0.83420211
   0.41894583  0.48671206  0.66098063
   0.19425753  0.35025825  0.71126710
   0.26821129  0.22843345 -0.10450015
   0.01913882  0.15778801  0.92120393
   0.05878407  0.57339427  0.08850863
   0.37192051  0.70399721  0.27650131
   0.11616153  0.83970858  0.05040655
   0.39157884  0.93660173  0.33714810
   0.39326012  0.92244002  0.14735909
   0.15993406  0.88656847  0.23677123
   0.32796023  0.65679564  0.46567613
   0.07166248  0.68067745  0.41575338
   0.14782404  0.56064578  0.59186744
   0.30376592  0.73195702  0.77575219
   0.16314022  0.83162993  0.55073084
   0.39455809  1.00003526  0.81496720
   0.43829932  0.90077478  0.62883848
   0.16520823  0.93224849  0.70909021
   0.26622318  0.65103681 -0.02747035
   0.01002816  0.67186206  0.91179721
   0.60718248  0.07828188  0.10971018
   0.80915803  0.19922224  0.26447063
   0.61883163  0.31704034  0.03660708
   0.97831827  0.45534043  0.35748677
   0.00730876  0.36074779  0.20272229
   0.75013267  0.44642382  0.17150967
   0.77579318  0.18333057  0.45568915
   0.51635224  0.12987479  0.42938630
   0.63167992  0.09816398  0.61096070
   0.83301480  0.22137838  0.79106911
   0.55763751  0.33756042  0.53928983
   0.86058204  0.47220348  0.83533031
   0.95592929  0.42352437  0.66596251
   0.68294352  0.42284165  0.69780479
   0.78900890  0.12632388  0.96622205
   0.53107330  0.11964348  0.92401197
   0.56350341  0.58086469  0.08759593
   0.86990473  0.70961087  0.29720363
   0.60383774  0.84350479  0.03724089
   0.84394958  0.96172435  0.34645583
   0.90650630  0.86250845  0.15963734
   0.66156226  0.88336207  0.21361871
   0.82434345  0.60233758  0.46454369
   0.56347974  0.57292072  0.38094479
   0.60577055  0.59919763  0.56463611
   0.81235392  0.72345235  0.78917974
   0.63388654  0.81143384  0.43207595
   0.90504189  0.97903247  0.82010983
   0.92676106  0.86656756  0.65374690
   0.66657964  0.91237478  0.74128310
   0.76149559  0.64274550  0.97183055
   0.51595200  0.65916195  0.90749731
   0.70708079  0.86005601  0.57838522
   0.70581039  0.87474972  0.45459966
   0.87801624  0.25795212  0.08547343
   1.00088782  0.41303683  0.29524927
   0.29974598  0.11752345  0.65188727
   0.23171579  0.69070704  0.74402309
  -0.04635022  1.12780714  0.12509008
   0.23046559  1.07635323  0.02777139
   0.62265036  0.37790629  0.85200313
   0.87584820  0.44388554  0.62536266
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822097    0.351951    0.079942
    -0.000000    9.904274    0.300254
    -0.000000    0.000000   14.059406
   Si   O    H 
    32    64    10
Direct configuration=  1052
   0.16136281  0.18893012 -0.02442577
   0.37910837  0.08582374  0.38093826
   0.11025608  0.41740558  0.12280963
   0.36980716  0.33960717  0.26087295
   0.10582117  0.16925436  0.48091436
   0.41114867  0.16027536  0.85313410
   0.10543958  0.40504466  0.62090650
   0.34010947  0.40021608  0.74409475
   0.11141897  0.69232000  0.00829291
   0.40595992  0.59762405  0.37171551
   0.05896222  0.91967908  0.14117653
   0.32912207  0.86258374  0.24770340
   0.16960633  0.67925323  0.50730166
   0.35531382  0.64809298  0.87285043
   0.07210109  0.92725808  0.61534022
   0.32604418  0.98786181  0.70409945
   0.63479482  0.15972437  1.00776605
   0.86010406  0.12349199  0.36430924
   0.59933546  0.42498978  0.12778509
   0.84892296  0.30787330  0.18696756
   0.62300994  0.19109139  0.50695312
   0.88995915  0.11484387  0.86858984
   0.56663478  0.45484659  0.61775269
   0.75416991  0.36326515  0.80246909
   0.60852984  0.68905886  0.00096803
   0.93714186  0.60992370  0.37893497
   0.56006790  0.92107415  0.12830589
   0.81752108  0.85812895  0.25552314
   0.66218607  0.64701593  0.46023485
   0.85661523  0.61969291  0.88069393
   0.60256226  0.93295953  0.63473529
   0.83054566  0.87509358  0.74941488
   0.04654262  0.08560221  0.12776658
   0.34175045  0.18477263  0.28450470
   0.12336030  0.32510779  0.02854214
   0.35094478  0.44401941  0.35016199
   0.51123757  0.35593939  0.20846355
   0.25994929  0.40088167  0.17744831
   0.25900776  0.09839911  0.46345317
   0.01758768  0.14071243  0.38580540
   0.04385652  0.07836545  0.56634680
   0.44434001  0.26540053  0.75620942
   0.09432762  0.32565300  0.52409295
   0.34274287  0.49073378  0.83426249
   0.41812453  0.48681818  0.66234254
   0.19522982  0.34938413  0.71232437
   0.26902900  0.22869719 -0.10435932
   0.01884857  0.15796240  0.92089309
   0.06065626  0.57334211  0.08704471
   0.37213505  0.70422881  0.27612218
   0.11588432  0.84058883  0.04961576
   0.39044588  0.93809264  0.33813458
   0.39259903  0.92114712  0.14610632
   0.16228133  0.88901959  0.23520965
   0.32909387  0.65606051  0.46302529
   0.07257779  0.68005985  0.41551820
   0.14811617  0.56043610  0.59207929
   0.30310389  0.73209590  0.77589481
   0.16349398  0.83125840  0.55039688
   0.39396722  0.99837110  0.81546158
   0.43674216  0.90041796  0.62993115
   0.16700541  0.93423619  0.70938885
   0.26630125  0.65282470 -0.02641421
   0.01060026  0.67156686  0.91152133
   0.60694980  0.07913807  0.10798280
   0.80936864  0.20047498  0.26524968
   0.62037772  0.31893294  0.03530313
   0.97758968  0.45633808  0.35585375
   0.00652470  0.36071550  0.20247114
   0.75170481  0.44540165  0.17110197
   0.77534558  0.18356058  0.45540818
   0.51885524  0.12925552  0.43019431
   0.63170862  0.09972036  0.61091474
   0.83232934  0.22091274  0.79137895
   0.55818474  0.33751408  0.53963785
   0.86015951  0.47400746  0.83528010
   0.95544512  0.42344038  0.66727959
   0.68263256  0.42500798  0.69847361
   0.78794710  0.12604899  0.96597852
   0.53125852  0.11801860  0.92427842
   0.56376555  0.58179746  0.08785730
   0.87082344  0.70892688  0.29716538
   0.60335934  0.84393301  0.03794085
   0.84440176  0.96131413  0.34635519
   0.90586130  0.86258255  0.15961976
   0.66156534  0.88326681  0.21384876
   0.82146546  0.60022036  0.46518492
   0.56288456  0.57340692  0.38161313
   0.60695877  0.59832951  0.56602440
   0.81370844  0.72452321  0.78975479
   0.63458120  0.81309886  0.43192997
   0.90497216  0.97787091  0.82108689
   0.92640502  0.86565443  0.65297007
   0.66648983  0.91384163  0.74134321
   0.76234341  0.64149014  0.97162463
   0.51676018  0.65776271  0.90815446
   0.70489181  0.86240939  0.57966030
   0.69818452  0.87335750  0.45857264
   0.87488590  0.26241734  0.08577131
   0.99819314  0.41311133  0.29938305
   0.29795105  0.11436492  0.65225456
   0.22632242  0.68490219  0.74410986
  -0.04323842  1.12260371  0.12683942
   0.22332710  1.08997508  0.02936601
   0.61394679  0.38004936  0.85414921
   0.87042197  0.44514936  0.62641880
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821259    0.348068    0.081855
    -0.000000    9.903847    0.298168
    -0.000000    0.000000   14.062947
   Si   O    H 
    32    64    10
Direct configuration=  1053
   0.16150508  0.18929084 -0.02445322
   0.37957855  0.08620431  0.38089226
   0.11063322  0.41716316  0.12259638
   0.36937507  0.33981232  0.26102786
   0.10575189  0.16917204  0.48152940
   0.41302433  0.15964377  0.85248799
   0.10487264  0.40472679  0.61979635
   0.33993813  0.39909425  0.74370296
   0.11094042  0.69284480  0.00885640
   0.40570378  0.59747563  0.37123083
   0.05842252  0.91901281  0.14265174
   0.32932907  0.86137770  0.24759716
   0.17085967  0.67929462  0.50702416
   0.35480708  0.64760477  0.87308673
   0.07193449  0.92754013  0.61555072
   0.32602834  0.98799196  0.70425708
   0.63545023  0.15839840  1.00671473
   0.85980077  0.12393361  0.36411202
   0.59973140  0.42569488  0.12822310
   0.84832363  0.30752901  0.18667056
   0.62280936  0.19055904  0.50723486
   0.88950418  0.11530651  0.86769915
   0.56676347  0.45581450  0.61905596
   0.75302963  0.36210621  0.80208843
   0.60687543  0.68876749  0.00164221
   0.93786034  0.61114297  0.37960736
   0.55945902  0.92319058  0.12886123
   0.81723720  0.85806500  0.25531987
   0.66198449  0.64670167  0.46087751
   0.85577778  0.62078328  0.88052848
   0.60251361  0.93404177  0.63455125
   0.83108732  0.87590365  0.74889418
   0.04636670  0.08575005  0.12862434
   0.34224134  0.18646062  0.28428950
   0.12370872  0.32397030  0.02837118
   0.35016704  0.44415499  0.35095702
   0.51253465  0.35494083  0.20763004
   0.26150439  0.40224580  0.17786071
   0.25802233  0.09864731  0.46451581
   0.01863815  0.14078219  0.38620854
   0.04260392  0.07943907  0.56667341
   0.44407264  0.26663889  0.75647757
   0.09498429  0.32537425  0.52301593
   0.34241890  0.49024184  0.83466627
   0.41687385  0.48663367  0.66354935
   0.19639174  0.34870165  0.71301258
   0.27068199  0.22896869 -0.10448580
   0.01985220  0.15866895  0.92079847
   0.06269569  0.57386605  0.08548385
   0.37180225  0.70424590  0.27569134
   0.11610706  0.84184891  0.04837019
   0.38983377  0.93868159  0.33921075
   0.39207349  0.92019283  0.14504098
   0.16444920  0.89095047  0.23299641
   0.33025199  0.65534146  0.46092844
   0.07396675  0.67984450  0.41519515
   0.14783280  0.56046239  0.59202229
   0.30173607  0.73252987  0.77593821
   0.16460825  0.83048797  0.54993602
   0.39292293  0.99748127  0.81605667
   0.43569794  0.90067681  0.63116984
   0.16913682  0.93651807  0.70962817
   0.26694743  0.65460024 -0.02588703
   0.01150027  0.67114572  0.91160231
   0.60638931  0.08061156  0.10580743
   0.80926219  0.20163799  0.26637458
   0.62188269  0.32057753  0.03476599
   0.97732865  0.45792586  0.35459515
   0.00677840  0.36039323  0.20208133
   0.75378057  0.44432667  0.17091281
   0.77423250  0.18388304  0.45523293
   0.52080281  0.12856571  0.43100536
   0.63135600  0.10132476  0.61047528
   0.83100374  0.21999004  0.79143429
   0.55877814  0.33745737  0.53971318
   0.85992708  0.47443240  0.83516709
   0.95388909  0.42321986  0.66824181
   0.68171422  0.42752035  0.69966784
   0.78674161  0.12554679  0.96591258
   0.53145046  0.11666631  0.92479618
   0.56354201  0.58331614  0.08794819
   0.87171333  0.70887974  0.29737842
   0.60312419  0.84320167  0.03745747
   0.84449712  0.96006803  0.34561038
   0.90612435  0.86262595  0.16042785
   0.66135086  0.88150361  0.21445208
   0.81923406  0.59793058  0.46598182
   0.56277750  0.57441016  0.38201005
   0.60718987  0.59822231  0.56667927
   0.81427709  0.72518950  0.79054103
   0.63513750  0.81460258  0.43170796
   0.90530710  0.97607332  0.82187589
   0.92612448  0.86471988  0.65194343
   0.66661914  0.91497472  0.74098227
   0.76325936  0.64042437  0.97157248
   0.51746761  0.65664084  0.90833282
   0.70328517  0.86189767  0.57882003
   0.69262334  0.87250510  0.46501057
   0.87072910  0.26608408  0.08852734
   0.99922928  0.40690168  0.29720767
   0.29917775  0.11146011  0.65114491
   0.22576344  0.68746532  0.74695837
  -0.04796867  1.12218713  0.12616402
   0.22612582  1.09553755  0.03402611
   0.61278199  0.38214564  0.85636099
   0.86973907  0.44626945  0.62969012
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820551    0.344184    0.083373
    -0.000000    9.903183    0.296015
    -0.000000    0.000000   14.066173
   Si   O    H 
    32    64    10
Direct configuration=  1054
   0.16119209  0.18971697 -0.02459307
   0.38025723  0.08713641  0.38120635
   0.11171010  0.41816773  0.12230281
   0.36896668  0.34083487  0.26080637
   0.10595159  0.16876383  0.48214985
   0.41433466  0.15880924  0.85194207
   0.10425622  0.40457336  0.61872874
   0.34053451  0.39801292  0.74326149
   0.11076379  0.69274295  0.00899271
   0.40489485  0.59762844  0.37061517
   0.05798726  0.91820175  0.14386076
   0.32979690  0.86057920  0.24763793
   0.17239724  0.67960024  0.50645467
   0.35452764  0.64701230  0.87356831
   0.07207840  0.92829276  0.61594422
   0.32578924  0.98782815  0.70461628
   0.63626784  0.15743128  1.00580926
   0.85987650  0.12450481  0.36434422
   0.60021204  0.42629942  0.12860665
   0.84881907  0.30751484  0.18631055
   0.62226931  0.18966362  0.50831131
   0.88904303  0.11563838  0.86780841
   0.56653389  0.45707157  0.62052224
   0.75146877  0.36147397  0.80157073
   0.60543437  0.68896099  0.00208067
   0.93869307  0.61186523  0.37997011
   0.55864053  0.92505248  0.12924425
   0.81660408  0.85756820  0.25557283
   0.66174968  0.64587550  0.46113143
   0.85551656  0.62157148  0.88025973
   0.60229874  0.93550465  0.63445778
   0.83173123  0.87647175  0.74879374
   0.04531874  0.08618102  0.12973183
   0.34313742  0.18741528  0.28442944
   0.12374906  0.32421781  0.02823611
   0.34999947  0.44425803  0.35154894
   0.51418396  0.35409107  0.20689837
   0.26289544  0.40422046  0.17880730
   0.25699750  0.09925909  0.46529723
   0.01940868  0.14079243  0.38724874
   0.04106851  0.07991741  0.56704217
   0.44377970  0.26744980  0.75686530
   0.09571561  0.32526646  0.52238062
   0.34199548  0.49016234  0.83511273
   0.41522518  0.48590611  0.66480794
   0.19606298  0.34761541  0.71355893
   0.27342464  0.22939594 -0.10454659
   0.02089012  0.15979529  0.92091969
   0.06483086  0.57406585  0.08461127
   0.37097196  0.70490977  0.27571051
   0.11598591  0.84330211  0.04719174
   0.38963193  0.93949624  0.34002214
   0.39112431  0.91901937  0.14446788
   0.16735959  0.89342715  0.23115734
   0.33180496  0.65611309  0.45883639
   0.07522756  0.68013234  0.41529062
   0.14702543  0.56143529  0.59136790
   0.30047353  0.73239081  0.77590428
   0.16541092  0.82911097  0.54938323
   0.39230475  0.99643518  0.81602928
   0.43485280  0.90119615  0.63257143
   0.17137455  0.93895531  0.70992795
   0.26690524  0.65660231 -0.02559424
   0.01325893  0.67022187  0.91165306
   0.60533209  0.08183911  0.10339865
   0.80905078  0.20278652  0.26753146
   0.62317902  0.32161920  0.03464726
   0.97737019  0.45932863  0.35392999
   0.00752767  0.35995481  0.20197291
   0.75587551  0.44358901  0.17058027
   0.77299108  0.18434703  0.45535012
   0.52218748  0.12783252  0.43169260
   0.63088055  0.10268106  0.61034389
   0.82976791  0.21852040  0.79076464
   0.55973577  0.33857565  0.53995038
   0.85979515  0.47415846  0.83529032
   0.95165349  0.42372136  0.66879691
   0.68045354  0.42949510  0.70118255
   0.78588215  0.12502915  0.96565061
   0.53132605  0.11508081  0.92528809
   0.56394226  0.58425436  0.08819577
   0.87204225  0.70826311  0.29760101
   0.60302162  0.84170492  0.03700559
   0.84453742  0.95847755  0.34557280
   0.90714982  0.86265516  0.16096046
   0.66085653  0.87981366  0.21539836
   0.81776428  0.59597309  0.46681618
   0.56403064  0.57522143  0.38242692
   0.60745232  0.59808881  0.56738949
   0.81497029  0.72568665  0.79104933
   0.63549000  0.81503368  0.43156984
   0.90618665  0.97293015  0.82231897
   0.92630968  0.86435871  0.65089789
   0.66734073  0.91543331  0.74070990
   0.76368373  0.63910281  0.97232059
   0.51712750  0.65525437  0.90834140
   0.70124208  0.85915369  0.57989407
   0.69045768  0.87232634  0.47319623
   0.86784241  0.26779495  0.09226822
   0.99956323  0.40044384  0.29412102
   0.30199411  0.11160753  0.65059968
   0.23026817  0.68963071  0.74891656
  -0.05590157  1.12152039  0.12555634
   0.23275042  1.09454042  0.04270470
   0.61492953  0.37914447  0.85942793
   0.87747374  0.44760346  0.63597371
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819702    0.339653    0.085086
    -0.000000    9.902552    0.293971
    -0.000000    0.000000   14.069218
   Si   O    H 
    32    64    10
Direct configuration=  1055
   0.16114684  0.19013662 -0.02456801
   0.38127742  0.08823981  0.38143517
   0.11311201  0.41868729  0.12186630
   0.36843537  0.34202467  0.26019664
   0.10642550  0.16836515  0.48253616
   0.41565458  0.15799905  0.85117459
   0.10318337  0.40465970  0.61874796
   0.34134737  0.39710239  0.74285529
   0.11058820  0.69259118  0.00831641
   0.40385984  0.59817922  0.36937527
   0.05744993  0.91792439  0.14508352
   0.32986418  0.86005911  0.24795768
   0.17474925  0.67982252  0.50584579
   0.35410475  0.64654133  0.87462840
   0.07234278  0.92838866  0.61665013
   0.32603322  0.98782896  0.70493317
   0.63744943  0.15672731  1.00512229
   0.85950619  0.12473386  0.36423887
   0.60177148  0.42660017  0.12849841
   0.84957572  0.30771281  0.18542092
   0.62187990  0.18886757  0.50922233
   0.88870385  0.11581646  0.86820517
   0.56628350  0.45833949  0.62176275
   0.75026256  0.36127169  0.80073053
   0.60451857  0.68902163  0.00262624
   0.93905691  0.61331582  0.38060314
   0.55752076  0.92719066  0.12972296
   0.81614715  0.85619804  0.25627180
   0.66063757  0.64522419  0.46142551
   0.85528945  0.62234117  0.88026440
   0.60139170  0.93774683  0.63464804
   0.83263029  0.87689783  0.74852186
   0.04382816  0.08646154  0.13048938
   0.34369319  0.18837895  0.28474569
   0.12453792  0.32460698  0.02846939
   0.34954878  0.44354904  0.35228121
   0.51527123  0.35291366  0.20660661
   0.26396093  0.40621823  0.17913190
   0.25669383  0.10014468  0.46556254
   0.02105116  0.14049457  0.38802927
   0.03967196  0.08027056  0.56665731
   0.44347374  0.26755349  0.75750715
   0.09672086  0.32402966  0.52144776
   0.34102223  0.48962847  0.83588452
   0.41435586  0.48511279  0.66605706
   0.19557762  0.34684809  0.71383852
   0.27662610  0.22993579 -0.10487745
   0.02169670  0.16039336  0.92117956
   0.06593407  0.57339875  0.08453185
   0.37035742  0.70538685  0.27534791
   0.11497338  0.84434917  0.04659267
   0.38900155  0.94068281  0.34030772
   0.39084851  0.91719197  0.14402475
   0.16976846  0.89590342  0.23003241
   0.33297091  0.65635278  0.45757717
   0.07629172  0.68062690  0.41524339
   0.14655443  0.56242939  0.59046822
   0.29947145  0.73234626  0.77596534
   0.16615858  0.82785812  0.54844997
   0.39213600  0.99562869  0.81592966
   0.43424156  0.90165549  0.63460377
   0.17284166  0.94171871  0.70989492
   0.26698734  0.65835154 -0.02539267
   0.01458266  0.66961004  0.91168871
   0.60477703  0.08225293  0.10144260
   0.80878888  0.20358990  0.26896138
   0.62360944  0.32254600  0.03481766
   0.97695904  0.46047113  0.35358239
   0.00854501  0.35892814  0.20192542
   0.75702976  0.44304259  0.17079603
   0.77283864  0.18454602  0.45498827
   0.52307432  0.12782383  0.43191443
   0.62925442  0.10447226  0.61035481
   0.82874918  0.21660159  0.79006548
   0.56102570  0.33869654  0.54009445
   0.85937793  0.47394785  0.83551807
   0.95024322  0.42346657  0.66995632
   0.67930519  0.43064061  0.70277926
   0.78538866  0.12432452  0.96506248
   0.53135886  0.11471728  0.92608079
   0.56361750  0.58557716  0.08872713
   0.87174111  0.70743674  0.29805967
   0.60310556  0.83984951  0.03658431
   0.84430159  0.95755772  0.34528806
   0.90848626  0.86268050  0.16170627
   0.65955546  0.87795924  0.21640572
   0.81658360  0.59384696  0.46746899
   0.56492771  0.57559194  0.38292195
   0.60811772  0.59802905  0.56755600
   0.81601439  0.72536903  0.79083429
   0.63587355  0.81467865  0.43175920
   0.90761468  0.96956842  0.82268096
   0.92697063  0.86417362  0.65044789
   0.66863171  0.91624269  0.74050513
   0.76394222  0.63805807  0.97269067
   0.51601260  0.65436987  0.90857669
   0.69852434  0.85620951  0.58181577
   0.68683534  0.87012687  0.47651994
   0.86276448  0.26566403  0.09380802
   1.00163616  0.39843706  0.29418477
   0.30821900  0.11266627  0.64942973
   0.22240588  0.68674279  0.74512174
  -0.05360409  1.11655864  0.12507228
   0.24143278  1.08870499  0.04963053
   0.62387181  0.37576244  0.86153709
   0.86684227  0.45291832  0.63435849
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819208    0.335391    0.086892
    -0.000000    9.902105    0.292064
    -0.000000    0.000000   14.072598
   Si   O    H 
    32    64    10
Direct configuration=  1056
   0.16109454  0.19073512 -0.02465002
   0.38240389  0.08950299  0.38140929
   0.11461029  0.41911074  0.12166632
   0.36771747  0.34325481  0.25891369
   0.10726432  0.16784472  0.48275141
   0.41705742  0.15719223  0.85071814
   0.10230190  0.40478421  0.61909693
   0.34199511  0.39589741  0.74289294
   0.11116831  0.69245213  0.00767464
   0.40279082  0.59820858  0.36797941
   0.05702662  0.91799598  0.14603142
   0.33008527  0.85991592  0.24788016
   0.17712850  0.67964687  0.50485741
   0.35427836  0.64579591  0.87553675
   0.07244912  0.92808957  0.61740896
   0.32686315  0.98712576  0.70493643
   0.63865723  0.15648687  1.00440544
   0.85882570  0.12487014  0.36378757
   0.60315830  0.42698140  0.12826810
   0.85010176  0.30797115  0.18469173
   0.62130259  0.18817417  0.50983731
   0.88845036  0.11517300  0.86936093
   0.56620478  0.45911429  0.62263908
   0.74902076  0.36119358  0.79982227
   0.60428580  0.68832986  0.00316299
   0.93939611  0.61499207  0.38120355
   0.55595076  0.92943255  0.12999730
   0.81592242  0.85508181  0.25730635
   0.65921836  0.64518759  0.46190734
   0.85569164  0.62306772  0.88043936
   0.60025353  0.94024489  0.63469738
   0.83355620  0.87700032  0.74843260
   0.04197371  0.08643268  0.13107732
   0.34423044  0.18859164  0.28553454
   0.12584131  0.32629367  0.02936213
   0.34923051  0.44326435  0.35234413
   0.51590687  0.35202518  0.20626539
   0.26511412  0.40788769  0.18021371
   0.25638380  0.10116479  0.46580238
   0.02252865  0.14006506  0.38865598
   0.03904922  0.08061088  0.56645335
   0.44348130  0.26732768  0.75906618
   0.09731347  0.32303442  0.52025091
   0.33935587  0.48894491  0.83591682
   0.41457576  0.48430882  0.66726553
   0.19506444  0.34619463  0.71371311
   0.27891549  0.22975777 -0.10534342
   0.02351707  0.16172655  0.92124498
   0.06729104  0.57278934  0.08485525
   0.36988595  0.70535595  0.27482689
   0.11357677  0.84597842  0.04603438
   0.38904256  0.94186745  0.34092488
   0.39093841  0.91552734  0.14398553
   0.17162286  0.89676333  0.22908972
   0.33358990  0.65680142  0.45711532
   0.07782447  0.68061356  0.41475517
   0.14573168  0.56378611  0.58969313
   0.29829698  0.73194861  0.77570951
   0.16554571  0.82754121  0.54818260
   0.39135395  0.99503974  0.81540703
   0.43466769  0.90304065  0.63692282
   0.17370308  0.94357037  0.70953532
   0.26761359  0.65933735 -0.02552311
   0.01602749  0.66863419  0.91162094
   0.60418496  0.08230122  0.10059549
   0.80861118  0.20466190  0.26961351
   0.62511656  0.32400116  0.03557967
   0.97708934  0.46146803  0.35275024
   0.00956095  0.35783402  0.20184542
   0.75831901  0.44234742  0.17131716
   0.77189643  0.18447397  0.45478543
   0.52414197  0.12731215  0.43144466
   0.62684248  0.10559390  0.61043544
   0.82736755  0.21498179  0.78879456
   0.56290469  0.33879794  0.53997722
   0.85952942  0.47378150  0.83582499
   0.94895165  0.42299352  0.67065844
   0.67929795  0.43119426  0.70507164
   0.78633928  0.12333801  0.96370697
   0.53145994  0.11415148  0.92645154
   0.56341469  0.58571212  0.08941041
   0.87120813  0.70658098  0.29923211
   0.60254768  0.83871007  0.03604528
   0.84440385  0.95727355  0.34521997
   0.90929710  0.86261240  0.16225849
   0.65799659  0.87596076  0.21719769
   0.81663510  0.59101683  0.46787501
   0.56588613  0.57597945  0.38384626
   0.60887494  0.59819405  0.56762246
   0.81696520  0.72457156  0.79059924
   0.63642058  0.81486578  0.43219287
   0.90954242  0.96689118  0.82290463
   0.92780057  0.86381393  0.64951114
   0.66927082  0.91683771  0.74020861
   0.76307779  0.63758950  0.97307386
   0.51433846  0.65385923  0.90877714
   0.69363306  0.85359712  0.58451068
   0.68125420  0.86550127  0.47838066
   0.85759966  0.25426695  0.09023417
   1.00415425  0.40056442  0.29831147
   0.31534819  0.11915491  0.65243675
   0.21967369  0.69000360  0.74583048
  -0.05145476  1.11246697  0.12146749
   0.24696761  1.08497831  0.05140271
   0.63666973  0.37326765  0.86157696
   0.86707089  0.45658580  0.63209291
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818735    0.331893    0.088666
    -0.000000    9.901679    0.290147
    -0.000000    0.000000   14.075312
   Si   O    H 
    32    64    10
Direct configuration=  1057
   0.16138079  0.19109681 -0.02401908
   0.38295100  0.09123707  0.38181590
   0.11619053  0.42003436  0.12192502
   0.36739137  0.34425968  0.25781950
   0.10824547  0.16723797  0.48289666
   0.41818912  0.15638041  0.84967174
   0.10163563  0.40481560  0.61952110
   0.34307711  0.39488587  0.74300592
   0.11173733  0.69275154  0.00731049
   0.40253484  0.59772488  0.36656418
   0.05624156  0.91832824  0.14654395
   0.33015685  0.85936324  0.24813447
   0.17915095  0.67917394  0.50416917
   0.35389025  0.64518918  0.87596117
   0.07237027  0.92803344  0.61771408
   0.32804357  0.98633286  0.70527770
   0.63966489  0.15661404  1.00374230
   0.85836698  0.12436758  0.36354434
   0.60437333  0.42773841  0.12788459
   0.85052522  0.30776972  0.18372870
   0.62031969  0.18755173  0.51053186
   0.88875280  0.11446607  0.87086411
   0.56654104  0.45988461  0.62354539
   0.74745107  0.36111784  0.79826349
   0.60485447  0.68669367  0.00319613
   0.94075091  0.61585805  0.38190440
   0.55488351  0.93098378  0.13039439
   0.81564471  0.85427541  0.25834474
   0.65848630  0.64551464  0.46214962
   0.85626172  0.62433240  0.88077864
   0.59921077  0.94313917  0.63499376
   0.83398106  0.87650788  0.74807942
   0.04107949  0.08606883  0.13128375
   0.34449169  0.18963778  0.28626261
   0.12671240  0.32774593  0.03008144
   0.34860941  0.44181464  0.35174206
   0.51588903  0.35087223  0.20563311
   0.26592222  0.40938622  0.18175852
   0.25703685  0.10216340  0.46596452
   0.02376823  0.13878475  0.38873655
   0.03824942  0.07981246  0.56623516
   0.44403165  0.26600361  0.76094548
   0.09770148  0.32165767  0.51982909
   0.33901075  0.48812009  0.83642612
   0.41584005  0.48364406  0.66741243
   0.19349978  0.34533121  0.71358590
   0.28075238  0.22943564 -0.10527828
   0.02443569  0.16343712  0.92069504
   0.06851015  0.57255503  0.08467904
   0.36918392  0.70554987  0.27461337
   0.11189450  0.84754146  0.04544805
   0.38853722  0.94278027  0.34080108
   0.39154978  0.91338917  0.14411959
   0.17268971  0.89799324  0.22846774
   0.33405078  0.65767880  0.45711888
   0.07928246  0.68056745  0.41444139
   0.14453485  0.56572488  0.58929664
   0.29684168  0.73211686  0.77585135
   0.16561427  0.82743347  0.54781185
   0.39075077  0.99489240  0.81517745
   0.43535096  0.90427901  0.63918380
   0.17371863  0.94630516  0.70889800
   0.26725117  0.66030380 -0.02601325
   0.01745357  0.66828578  0.91195652
   0.60335888  0.08128821  0.09981332
   0.80829308  0.20592834  0.26985388
   0.62599317  0.32531032  0.03583716
   0.97678588  0.46254723  0.35161258
   0.01065886  0.35692669  0.20217993
   0.75898205  0.44135500  0.17191550
   0.76944277  0.18512268  0.45386984
   0.52441907  0.12612542  0.43139500
   0.62472418  0.10669513  0.61022250
   0.82597634  0.21324860  0.78771599
   0.56430682  0.34006058  0.53954879
   0.85983731  0.47341892  0.83677175
   0.94716094  0.42224377  0.67063511
   0.67929225  0.43121818  0.70695915
   0.78689912  0.12165744  0.96279003
   0.53159377  0.11341550  0.92628912
   0.56326058  0.58613319  0.08964269
   0.87043448  0.70581925  0.30008202
   0.60237481  0.83830008  0.03581536
   0.84481971  0.95762604  0.34541696
   0.90978224  0.86263920  0.16227312
   0.65665675  0.87385692  0.21749025
   0.81736102  0.58890106  0.46856428
   0.56734154  0.57579277  0.38446527
   0.60952465  0.59845331  0.56837833
   0.81853109  0.72416467  0.79041669
   0.63747889  0.81453101  0.43300472
   0.91166611  0.96459917  0.82377677
   0.92892892  0.86376471  0.64853331
   0.67011193  0.91690432  0.73999875
   0.76216139  0.63752140  0.97327383
   0.51181336  0.65316364  0.90881819
   0.69001652  0.85091827  0.58477334
   0.67740383  0.86496035  0.48121784
   0.85216468  0.23806178  0.08619916
   1.00952452  0.40786281  0.30305681
   0.32354831  0.12567435  0.65722021
   0.22044198  0.69196780  0.74950064
  -0.05476196  1.11302030  0.11756507
   0.24906086  1.08244721  0.04876969
   0.64539297  0.37105037  0.86415441
   0.87484938  0.45675642  0.62960740
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818016    0.328160    0.090184
    -0.000000    9.901456    0.287930
    -0.000000    0.000000   14.077728
   Si   O    H 
    32    64    10
Direct configuration=  1058
   0.16191994  0.19143924 -0.02292480
   0.38333280  0.09338317  0.38245195
   0.11771224  0.42080893  0.12220663
   0.36764415  0.34465335  0.25743639
   0.10942516  0.16629908  0.48293032
   0.41902791  0.15561592  0.84861304
   0.10069050  0.40492719  0.61994424
   0.34410174  0.39376726  0.74380573
   0.11177903  0.69272628  0.00698362
   0.40185536  0.59719054  0.36543230
   0.05664833  0.91889011  0.14666491
   0.33090846  0.85884913  0.24825751
   0.18094138  0.67898637  0.50338527
   0.35379622  0.64426742  0.87607753
   0.07322328  0.92857774  0.61832727
   0.32900623  0.98592754  0.70554706
   0.64011546  0.15687943  1.00333055
   0.85822237  0.12381386  0.36330490
   0.60581759  0.42861207  0.12713660
   0.85203321  0.30727364  0.18297822
   0.61874249  0.18732017  0.51091054
   0.88897920  0.11341665  0.87203468
   0.56629335  0.45981717  0.62430516
   0.74663806  0.36140468  0.79698900
   0.60553158  0.68454621  0.00314046
   0.94139577  0.61582765  0.38276536
   0.55460733  0.93166420  0.13044200
   0.81513061  0.85331600  0.25889970
   0.65793929  0.64588728  0.46204031
   0.85696794  0.62487030  0.88106202
   0.59760939  0.94525298  0.63527426
   0.83445306  0.87585503  0.74746539
   0.04127052  0.08532576  0.13157159
   0.34367642  0.19017923  0.28699912
   0.12754839  0.32898331  0.03122688
   0.34945276  0.43977580  0.35154614
   0.51558775  0.34888281  0.20459084
   0.26647512  0.41073195  0.18262559
   0.25783556  0.10301275  0.46598911
   0.02473238  0.13725439  0.38811744
   0.03762958  0.07867628  0.56617987
   0.44476685  0.26400704  0.76228557
   0.09763362  0.32041528  0.51936153
   0.33868512  0.48764920  0.83721277
   0.41715106  0.48400544  0.66707468
   0.19176897  0.34398611  0.71294574
   0.28311465  0.22817032 -0.10495790
   0.02475274  0.16485975  0.92011507
   0.07057659  0.57236573  0.08496250
   0.36930601  0.70544374  0.27420355
   0.11001242  0.84942068  0.04513573
   0.38822925  0.94296970  0.34046530
   0.39225270  0.91104055  0.14431788
   0.17274772  0.89869631  0.22765630
   0.33388690  0.65916948  0.45750980
   0.08019971  0.68060462  0.41396443
   0.14345666  0.56679911  0.58917762
   0.29619014  0.73169216  0.77596302
   0.16563387  0.82826220  0.54777983
   0.39050960  0.99601499  0.81525971
   0.43735257  0.90444206  0.64072588
   0.17401234  0.94896926  0.70838227
   0.26792616  0.66144350 -0.02606918
   0.01823286  0.66772723  0.91229124
   0.60238366  0.08038797  0.09915816
   0.80789521  0.20621047  0.26944789
   0.62615371  0.32657170  0.03607435
   0.97632453  0.46334725  0.35080443
   0.01154926  0.35592215  0.20215764
   0.75966252  0.44106243  0.17222847
   0.76630790  0.18593367  0.45280761
   0.52454218  0.12528650  0.43081437
   0.62249553  0.10739907  0.61035635
   0.82590110  0.21199350  0.78721828
   0.56510657  0.34200171  0.53898226
   0.85934978  0.47337537  0.83772412
   0.94547183  0.42192746  0.67056987
   0.67919524  0.43090356  0.70871771
   0.78768232  0.12059782  0.96180513
   0.53242897  0.11291860  0.92609331
   0.56329665  0.58590113  0.08966437
   0.87031920  0.70529889  0.30030041
   0.60267148  0.83823045  0.03624751
   0.84529698  0.95704603  0.34464473
   0.90968102  0.86308958  0.16286439
   0.65511267  0.87215207  0.21808605
   0.81854521  0.58755506  0.46908930
   0.56877575  0.57485439  0.38526385
   0.60993111  0.59837256  0.56893176
   0.82007863  0.72294300  0.79112639
   0.63877536  0.81295254  0.43319069
   0.91357132  0.96275305  0.82449304
   0.92943568  0.86311645  0.64774341
   0.67183219  0.91717776  0.74018231
   0.76173957  0.63682273  0.97347268
   0.50927314  0.65436356  0.90911818
   0.68669898  0.85043672  0.58485727
   0.67843941  0.86939977  0.48506861
   0.84590943  0.22942895  0.08832487
   1.01898726  0.41218152  0.30237208
   0.32987846  0.13053828  0.66186372
   0.21318572  0.69132409  0.75300009
  -0.05628333  1.11590960  0.11441196
   0.24946591  1.08261544  0.04407973
   0.64467367  0.36830234  0.87266226
   0.88034888  0.45678557  0.62555736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817460    0.324107    0.091696
    -0.000000    9.900896    0.285845
    -0.000000    0.000000   14.080317
   Si   O    H 
    32    64    10
Direct configuration=  1059
   0.16275108  0.19193960 -0.02205620
   0.38350574  0.09535253  0.38305778
   0.11924094  0.42101987  0.12261350
   0.36799801  0.34498167  0.25750602
   0.10973657  0.16561242  0.48316272
   0.41935035  0.15472207  0.84819345
   0.09992370  0.40525786  0.62030820
   0.34504906  0.39289298  0.74473363
   0.11119766  0.69199621  0.00648809
   0.40175180  0.59638703  0.36468325
   0.05653451  0.91945041  0.14700251
   0.33201386  0.85834869  0.24847894
   0.18312989  0.67783130  0.50317466
   0.35362902  0.64296695  0.87630301
   0.07411307  0.92943117  0.61837075
   0.33013435  0.98542683  0.70566958
   0.64050889  0.15759979  1.00315915
   0.85812382  0.12237156  0.36356773
   0.60753201  0.42966457  0.12650962
   0.85373661  0.30695013  0.18221121
   0.61735798  0.18779425  0.51100517
   0.88951234  0.11266007  0.87328687
   0.56726256  0.45961713  0.62545710
   0.74635543  0.36138479  0.79608890
   0.60658489  0.68174572  0.00306670
   0.94189922  0.61532925  0.38363168
   0.55530036  0.93184995  0.13036173
   0.81447360  0.85270004  0.25944177
   0.65738213  0.64653387  0.46208989
   0.85796248  0.62505101  0.88100331
   0.59580626  0.94716386  0.63583602
   0.83456736  0.87617256  0.74684445
   0.04042519  0.08504377  0.13189692
   0.34279356  0.19019933  0.28801902
   0.12849843  0.33079687  0.03142812
   0.35032750  0.43795519  0.35150516
   0.51447042  0.34705738  0.20381221
   0.26609011  0.41245876  0.18310667
   0.25900022  0.10354541  0.46651221
   0.02496684  0.13630912  0.38713867
   0.03680196  0.07722565  0.56641549
   0.44591775  0.26128903  0.76381597
   0.09698895  0.31911075  0.51935701
   0.33774112  0.48728205  0.83799926
   0.41853839  0.48458525  0.66615815
   0.19001708  0.34303504  0.71166389
   0.28561271  0.22680225 -0.10442387
   0.02496957  0.16613175  0.91924251
   0.07208417  0.57213155  0.08469889
   0.36934071  0.70534790  0.27402164
   0.10923237  0.85105814  0.04494142
   0.38808887  0.94268780  0.33976348
   0.39374925  0.90919373  0.14455773
   0.17269005  0.89932984  0.22758661
   0.33352564  0.66084119  0.45777550
   0.08061594  0.68005534  0.41330631
   0.14219059  0.56755459  0.58899521
   0.29526290  0.73053243  0.77642087
   0.16597407  0.82902750  0.54832686
   0.39048228  0.99772187  0.81543674
   0.43994551  0.90505407  0.64199421
   0.17386200  0.95140048  0.70732468
   0.26842027  0.66304472 -0.02604466
   0.01897363  0.66699637  0.91261367
   0.60196261  0.07953468  0.09896865
   0.80752788  0.20695224  0.26907071
   0.62577628  0.32816148  0.03626592
   0.97608717  0.46494115  0.35019472
   0.01208219  0.35539233  0.20205827
   0.76040976  0.44090200  0.17264307
   0.76413903  0.18693269  0.45159993
   0.52450120  0.12421946  0.43051680
   0.62094249  0.10747950  0.61055889
   0.82573702  0.21091914  0.78631482
   0.56658588  0.34332293  0.53869792
   0.85891680  0.47314336  0.83869842
   0.94369697  0.42154134  0.66990907
   0.67919071  0.43041495  0.70989030
   0.78805717  0.11968395  0.96065981
   0.53353980  0.11233789  0.92588661
   0.56331571  0.58490749  0.08943195
   0.86941630  0.70527018  0.30034987
   0.60201135  0.83919977  0.03654316
   0.84474752  0.95639727  0.34390714
   0.90969757  0.86345378  0.16429539
   0.65472452  0.87087645  0.21885068
   0.82011992  0.58701853  0.46900568
   0.56938534  0.57350745  0.38577652
   0.60944052  0.59799056  0.56934864
   0.82154918  0.72276573  0.79164424
   0.63924661  0.81173645  0.43479258
   0.91597893  0.96076185  0.82507239
   0.92919948  0.86228832  0.64725829
   0.67257933  0.91700969  0.74025889
   0.76135067  0.63584756  0.97331707
   0.50705393  0.65578655  0.90987785
   0.68283272  0.85336274  0.58445078
   0.67583041  0.87046903  0.48459318
   0.84151333  0.22624841  0.09301379
   1.02772934  0.41356750  0.29973923
   0.33665719  0.13128678  0.66664025
   0.21008539  0.69185696  0.75420800
  -0.05014117  1.11901938  0.11119565
   0.24547084  1.08661530  0.03675958
   0.64033387  0.36057758  0.88237910
   0.88144387  0.46214141  0.61816955
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817356    0.319430    0.093319
    -0.000000    9.900764    0.283831
    -0.000000    0.000000   14.082879
   Si   O    H 
    32    64    10
Direct configuration=  1060
   0.16388820  0.19289111 -0.02154223
   0.38325794  0.09760647  0.38327747
   0.12054246  0.42136240  0.12302625
   0.36815139  0.34505164  0.25787410
   0.10988608  0.16487764  0.48361849
   0.41920225  0.15377461  0.84810653
   0.09908622  0.40527911  0.62030835
   0.34500840  0.39204712  0.74548898
   0.11097465  0.69176873  0.00605952
   0.40192010  0.59532676  0.36380243
   0.05680333  0.92031959  0.14693057
   0.33292449  0.85824414  0.24847184
   0.18481928  0.67639594  0.50307551
   0.35346382  0.64213486  0.87631143
   0.07434946  0.92993605  0.61857964
   0.33122687  0.98550401  0.70561372
   0.64096706  0.15924733  1.00298410
   0.85826380  0.12037637  0.36367766
   0.60942085  0.43057145  0.12524836
   0.85489453  0.30722504  0.18177666
   0.61611863  0.18886984  0.51126336
   0.89013655  0.11142093  0.87458045
   0.56836839  0.45922315  0.62619957
   0.74641182  0.36131505  0.79590236
   0.60697838  0.67978417  0.00260065
   0.94189204  0.61435667  0.38496164
   0.55573554  0.93161010  0.13031210
   0.81355701  0.85227729  0.25992610
   0.65716185  0.64761960  0.46208792
   0.85887502  0.62492996  0.88081017
   0.59398213  0.94864354  0.63647376
   0.83459224  0.87620659  0.74641273
   0.03890553  0.08685979  0.13201462
   0.34168978  0.19040144  0.28936590
   0.12944828  0.33189871  0.03137411
   0.35107996  0.43720243  0.35189495
   0.51409771  0.34583341  0.20280016
   0.26455915  0.41435217  0.18353318
   0.26128283  0.10387598  0.46662837
   0.02508238  0.13606847  0.38672680
   0.03582518  0.07550047  0.56666609
   0.44736791  0.25914896  0.76551490
   0.09644795  0.31788818  0.51966758
   0.33686842  0.48710564  0.83821827
   0.41960307  0.48491861  0.66523558
   0.18855534  0.34218239  0.71092157
   0.28728033  0.22588060 -0.10413911
   0.02553547  0.16785683  0.91885986
   0.07430022  0.57256422  0.08384496
   0.36964157  0.70440585  0.27362990
   0.10833120  0.85199436  0.04452713
   0.38733567  0.94279953  0.33917224
   0.39531277  0.90803712  0.14504298
   0.17257147  0.89982372  0.22717778
   0.33270068  0.66225901  0.45799434
   0.08129015  0.67969851  0.41239229
   0.14125978  0.56740516  0.58920350
   0.29416446  0.72978215  0.77664847
   0.16650825  0.82936588  0.54877387
   0.39017638  0.99931394  0.81477149
   0.44220529  0.90578326  0.64286972
   0.17338136  0.95360571  0.70605527
   0.26940842  0.66496395 -0.02674342
   0.01991373  0.66647505  0.91313317
   0.60152792  0.07970323  0.09875296
   0.80744747  0.20905979  0.26838120
   0.62517555  0.32840044  0.03581168
   0.97554784  0.46699929  0.35019352
   0.01289434  0.35442469  0.20144794
   0.76192096  0.44160498  0.17287413
   0.76208917  0.18735141  0.45051321
   0.52467188  0.12323394  0.43014081
   0.61995377  0.10832129  0.61024594
   0.82491923  0.20925569  0.78527702
   0.56717113  0.34432014  0.53847082
   0.85884761  0.47292533  0.84007093
   0.94227932  0.42133390  0.66898737
   0.67828366  0.43051370  0.71015842
   0.78757398  0.11889137  0.95998788
   0.53467452  0.11184593  0.92596112
   0.56386778  0.58385682  0.08958159
   0.86815293  0.70510605  0.30042124
   0.60186288  0.83972778  0.03676864
   0.84394575  0.95662440  0.34323823
   0.90920595  0.86361195  0.16557673
   0.65466798  0.86973240  0.22021245
   0.82146891  0.58724236  0.46920052
   0.56916083  0.57221120  0.38595185
   0.60917223  0.59743449  0.56991129
   0.82308601  0.72282938  0.79161232
   0.64040754  0.81042945  0.43683016
   0.91752405  0.95977691  0.82540144
   0.92810691  0.86114587  0.64652788
   0.67322413  0.91707159  0.74034387
   0.76124115  0.63485226  0.97296842
   0.50514057  0.65719293  0.91082494
   0.67927443  0.85357373  0.58404320
   0.67146409  0.86714908  0.48042729
   0.83704482  0.22585626  0.09947829
   1.03432100  0.42004540  0.30263773
   0.33568109  0.12447947  0.67164198
   0.20933339  0.69391176  0.75901915
  -0.04144138  1.11976149  0.10748443
   0.23597353  1.09118579  0.02853632
   0.63632828  0.35345096  0.88571199
   0.88412645  0.46338445  0.61427688
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817438    0.315569    0.095121
    -0.000000    9.900164    0.281815
    -0.000000    0.000000   14.085348
   Si   O    H 
    32    64    10
Direct configuration=  1061
   0.16532090  0.19402539 -0.02151873
   0.38302609  0.09904112  0.38392782
   0.12161029  0.42191979  0.12371525
   0.36887830  0.34567509  0.25774178
   0.11038995  0.16475502  0.48398487
   0.41922769  0.15225961  0.84891882
   0.09781450  0.40520409  0.62058912
   0.34538215  0.39160068  0.74624033
   0.11110679  0.69210984  0.00522933
   0.40212053  0.59430938  0.36330456
   0.05747904  0.92159685  0.14677262
   0.33299454  0.85817805  0.24870246
   0.18618995  0.67542353  0.50304423
   0.35229112  0.64170432  0.87622378
   0.07496720  0.93037966  0.61840431
   0.33223551  0.98581615  0.70583783
   0.64112740  0.16151023  1.00268326
   0.85871174  0.11855718  0.36442556
   0.61107584  0.43117646  0.12414885
   0.85601879  0.30708353  0.18096681
   0.61499902  0.19000216  0.51137105
   0.89090123  0.11053569  0.87558904
   0.56979951  0.45828297  0.62648281
   0.74721989  0.36123527  0.79587450
   0.60736682  0.67794430  0.00204389
   0.94200645  0.61382698  0.38583991
   0.55661552  0.93114940  0.13005795
   0.81259995  0.85180526  0.26058576
   0.65758188  0.64861413  0.46257249
   0.85976964  0.62474977  0.88021431
   0.59235922  0.94947691  0.63717480
   0.83457579  0.87617755  0.74569109
   0.03855243  0.08815441  0.13310094
   0.34056901  0.19109966  0.29067245
   0.13065588  0.33307533  0.03149208
   0.35205874  0.43610369  0.35276455
   0.51358025  0.34469103  0.20152225
   0.26238166  0.41663978  0.18374593
   0.26409692  0.10494276  0.46580072
   0.02589615  0.13525264  0.38636092
   0.03499510  0.07408335  0.56718368
   0.45004653  0.25762765  0.76671461
   0.09548166  0.31721940  0.51933954
   0.33654478  0.48679490  0.83842302
   0.42043085  0.48542564  0.66424225
   0.18752070  0.34123032  0.71034958
   0.28836161  0.22502740 -0.10339694
   0.02608117  0.16873593  0.91812869
   0.07592728  0.57253335  0.08263141
   0.37101819  0.70325357  0.27345300
   0.10752490  0.85273582  0.04393765
   0.38645927  0.94229133  0.33881878
   0.39615417  0.90674392  0.14535533
   0.17259406  0.89985661  0.22709560
   0.33260198  0.66395018  0.45836760
   0.08220180  0.67953872  0.41135829
   0.14054826  0.56703337  0.58986843
   0.29337977  0.72971592  0.77751078
   0.16746155  0.82888233  0.54977609
   0.38985248  1.00081635  0.81364960
   0.44445903  0.90662331  0.64376014
   0.17297752  0.95515143  0.70524330
   0.27013982  0.66604058 -0.02700644
   0.02098743  0.66534301  0.91332723
   0.60131914  0.07963311  0.09861352
   0.80741814  0.21087552  0.26829866
   0.62513321  0.32821465  0.03600488
   0.97520920  0.46863473  0.35081192
   0.01402398  0.35367300  0.20018172
   0.76286685  0.44205395  0.17269550
   0.76044538  0.18805308  0.45015059
   0.52498090  0.12256269  0.43018842
   0.61886754  0.10774491  0.61034105
   0.82428027  0.20666586  0.78442022
   0.56745526  0.34439673  0.53812722
   0.85919335  0.47282442  0.84177627
   0.94156996  0.42085575  0.66737041
   0.67657501  0.43162579  0.70959097
   0.78730801  0.11745025  0.95974563
   0.53490289  0.11151106  0.92637586
   0.56487507  0.58223757  0.09073367
   0.86690502  0.70511349  0.30014401
   0.60107412  0.83952954  0.03680115
   0.84364536  0.95711891  0.34341624
   0.90865758  0.86465383  0.16614485
   0.65452239  0.86855866  0.22163658
   0.82254016  0.58787445  0.46910405
   0.56716019  0.57102869  0.38591042
   0.60950980  0.59752651  0.57004482
   0.82519897  0.72265353  0.79147224
   0.64082116  0.80922013  0.43838868
   0.91915285  0.95891506  0.82555478
   0.92675653  0.85988729  0.64569769
   0.67422993  0.91725381  0.74006634
   0.76064427  0.63495091  0.97258703
   0.50336014  0.65876166  0.91196183
   0.67777290  0.85505218  0.58330082
   0.67568079  0.87424390  0.48195022
   0.83302959  0.22549689  0.10514762
   1.04016898  0.42955840  0.30539113
   0.33283394  0.11884828  0.67372742
   0.20815492  0.69297023  0.76067689
  -0.04493052  1.12287791  0.10191340
   0.23165850  1.09026642  0.02593278
   0.63769694  0.34308528  0.88453814
   0.88803373  0.46041438  0.61535439
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817712    0.312128    0.097111
    -0.000000    9.899390    0.279421
    -0.000000    0.000000   14.087248
   Si   O    H 
    32    64    10
Direct configuration=  1062
   0.16586645  0.19462065 -0.02156052
   0.38221832  0.10038395  0.38434265
   0.12253654  0.42181101  0.12456544
   0.36884813  0.34620019  0.25698956
   0.11011835  0.16454465  0.48437997
   0.41939647  0.15066314  0.84992271
   0.09615799  0.40488816  0.62103577
   0.34564123  0.39082966  0.74693456
   0.11145093  0.69263057  0.00442325
   0.40211050  0.59368893  0.36225892
   0.05898532  0.92306938  0.14631575
   0.33219274  0.85841663  0.24922671
   0.18660023  0.67532065  0.50301034
   0.35082636  0.64170886  0.87575979
   0.07511926  0.93047646  0.61833800
   0.33287089  0.98641806  0.70664633
   0.64126574  0.16416211  1.00255868
   0.85909333  0.11773634  0.36508577
   0.61276605  0.43149157  0.12327281
   0.85702070  0.30741562  0.18041821
   0.61367125  0.19168328  0.51108582
   0.89199445  0.10960881  0.87601636
   0.57170777  0.45742968  0.62688755
   0.74845469  0.36051364  0.79639345
   0.60772412  0.67681478  0.00157051
   0.94170003  0.61338129  0.38670926
   0.55790104  0.93087172  0.12967728
   0.81162656  0.85165381  0.26108954
   0.65796970  0.64960817  0.46294348
   0.86199203  0.62447723  0.87982414
   0.59173590  0.95039632  0.63728221
   0.83503388  0.87614908  0.74490886
   0.03867343  0.08959287  0.13374714
   0.34032967  0.19211577  0.29203311
   0.13219387  0.33386178  0.03147173
   0.35348994  0.43597091  0.35343289
   0.51365196  0.34415468  0.20032290
   0.25975581  0.41843365  0.18396144
   0.26643852  0.10614394  0.46529729
   0.02647834  0.13521862  0.38605282
   0.03431827  0.07330936  0.56738277
   0.45275956  0.25652844  0.76771951
   0.09483818  0.31668512  0.51962978
   0.33693776  0.48682505  0.83868129
   0.42032663  0.48620388  0.66320769
   0.18772589  0.34108929  0.70906940
   0.28934174  0.22421855 -0.10284575
   0.02616950  0.16917414  0.91780536
   0.07763880  0.57166278  0.08182272
   0.37253355  0.70183144  0.27356725
   0.10573294  0.85244355  0.04284516
   0.38465482  0.94234680  0.33833410
   0.39707411  0.90535101  0.14582712
   0.17265339  0.89892596  0.22753717
   0.33282888  0.66512594  0.45832202
   0.08365914  0.67969471  0.41093533
   0.14103259  0.56627067  0.58994124
   0.29262613  0.72983906  0.77910920
   0.16843585  0.82923531  0.55049283
   0.38907028  1.00183148  0.81281126
   0.44617163  0.90777022  0.64432749
   0.17390045  0.95671465  0.70453785
   0.27106779  0.66659851 -0.02705657
   0.02147472  0.66461722  0.91315565
   0.60146265  0.07884808  0.09881918
   0.80733566  0.21193782  0.26888409
   0.62477565  0.32691047  0.03594678
   0.97567276  0.46923984  0.35173555
   0.01463070  0.35322213  0.19876088
   0.76346466  0.44265377  0.17236416
   0.75878588  0.18851022  0.45036858
   0.52483779  0.12168887  0.43060539
   0.61813523  0.10734924  0.61053208
   0.82444774  0.20369358  0.78405518
   0.56730750  0.34445161  0.53846722
   0.85943296  0.47304164  0.84327108
   0.94094721  0.42052332  0.66553249
   0.67440680  0.43225694  0.70915911
   0.78731422  0.11657105  0.95993013
   0.53512743  0.11197593  0.92667629
   0.56570377  0.58051746  0.09166547
   0.86535547  0.70567165  0.30055037
   0.60062416  0.83805983  0.03714376
   0.84377476  0.95768234  0.34323947
   0.90736112  0.86627872  0.16742862
   0.65408212  0.86840398  0.22325085
   0.82264172  0.58865042  0.46952386
   0.56474095  0.56954196  0.38562811
   0.61015220  0.59811426  0.56941362
   0.82722190  0.72278358  0.79160860
   0.64114221  0.80875003  0.43909183
   0.92026191  0.95892561  0.82571337
   0.92495970  0.85933397  0.64503099
   0.67478049  0.91781878  0.73941706
   0.75986813  0.63592939  0.97259387
   0.50298803  0.66074106  0.91299064
   0.67898059  0.86038232  0.58191902
   0.68105212  0.87998793  0.48445025
   0.82812146  0.22273085  0.10857809
   1.04064159  0.43942951  0.30974667
   0.32788794  0.12189176  0.67367320
   0.20205838  0.69331281  0.76273729
  -0.04790641  1.12309194  0.09592951
   0.22913418  1.08047772  0.02932352
   0.64370675  0.33518325  0.87735029
   0.88772460  0.45851742  0.61905257
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817651    0.309087    0.098477
    -0.000000    9.898882    0.277051
    -0.000000    0.000000   14.089362
   Si   O    H 
    32    64    10
Direct configuration=  1063
   0.16610029  0.19516157 -0.02172883
   0.38138268  0.10089347  0.38444767
   0.12350135  0.42122022  0.12494678
   0.36953797  0.34675547  0.25666845
   0.10949806  0.16370980  0.48499257
   0.41938802  0.14823178  0.85130111
   0.09499718  0.40456952  0.62211157
   0.34541420  0.38992593  0.74746699
   0.11246169  0.69282663  0.00412838
   0.40167465  0.59315508  0.36142365
   0.06062920  0.92457451  0.14577573
   0.33173662  0.85962830  0.24985851
   0.18702366  0.67557902  0.50343083
   0.34970286  0.64160127  0.87516658
   0.07513757  0.93010193  0.61819812
   0.33353205  0.98640185  0.70758737
   0.64085762  0.16742595  1.00266962
   0.85932523  0.11677318  0.36516155
   0.61439375  0.43131402  0.12232273
   0.85799787  0.30761088  0.18038077
   0.61280443  0.19386592  0.51093924
   0.89294455  0.10876915  0.87610518
   0.57310610  0.45666761  0.62663938
   0.74948387  0.36065695  0.79695614
   0.60735751  0.67583857  0.00128117
   0.94087623  0.61252929  0.38727747
   0.55934212  0.93005513  0.12935011
   0.81102035  0.85124915  0.26180646
   0.65796494  0.65056216  0.46321100
   0.86381446  0.62404560  0.87951097
   0.59223865  0.95041932  0.63758245
   0.83527669  0.87569538  0.74440764
   0.03796156  0.09135587  0.13450135
   0.34026414  0.19272431  0.29336467
   0.13406942  0.33494680  0.03193136
   0.35490147  0.43667219  0.35387354
   0.51440854  0.34459751  0.19891926
   0.25756515  0.41985281  0.18435914
   0.26841653  0.10767119  0.46508155
   0.02671653  0.13546104  0.38627086
   0.03448071  0.07254674  0.56746677
   0.45554973  0.25626771  0.76760105
   0.09460220  0.31675831  0.51978430
   0.33717723  0.48682884  0.83875253
   0.42069747  0.48593319  0.66148399
   0.18719945  0.34178632  0.70797348
   0.29000799  0.22297716 -0.10219257
   0.02647567  0.17051968  0.91756241
   0.07947226  0.57105550  0.08154854
   0.37328813  0.70046317  0.27367730
   0.10368288  0.85220836  0.04213503
   0.38282669  0.94211976  0.33894257
   0.39864458  0.90301028  0.14592678
   0.17302018  0.89818430  0.22758712
   0.33463342  0.66582060  0.45820294
   0.08492246  0.67969322  0.41076110
   0.14173799  0.56453977  0.59007855
   0.29138808  0.72979611  0.78071806
   0.16901005  0.82930489  0.55091109
   0.38824467  1.00286367  0.81211898
   0.44615730  0.90935846  0.64446215
   0.17464597  0.95773844  0.70426310
   0.27177177  0.66714067 -0.02704165
   0.02163919  0.66496816  0.91264327
   0.60193751  0.07858840  0.09946817
   0.80805606  0.21220133  0.26970192
   0.62473901  0.32514990  0.03613271
   0.97506553  0.46946440  0.35281588
   0.01583636  0.35266498  0.19759553
   0.76375800  0.44331106  0.17187480
   0.75744677  0.18904417  0.45023352
   0.52424559  0.12125936  0.43136275
   0.61674917  0.10769603  0.61060474
   0.82383867  0.20204660  0.78373080
   0.56701135  0.34424474  0.53867972
   0.85928931  0.47250907  0.84406814
   0.94033522  0.41935843  0.66413321
   0.67237035  0.43296989  0.70869740
   0.78802195  0.11543272  0.96074439
   0.53532421  0.11274001  0.92630249
   0.56595805  0.57940826  0.09257656
   0.86432638  0.70428009  0.30145870
   0.60064104  0.83639863  0.03724886
   0.84361182  0.95811499  0.34317153
   0.90582264  0.86801272  0.16834961
   0.65297799  0.86858458  0.22410274
   0.82371525  0.58927202  0.46953153
   0.56183250  0.56770641  0.38487520
   0.60969376  0.59873279  0.56863752
   0.82883331  0.72230742  0.79202818
   0.64187851  0.80890949  0.43976513
   0.92076206  0.95912405  0.82526698
   0.92247332  0.85989165  0.64484471
   0.67531786  0.91802995  0.73931003
   0.75873633  0.63733104  0.97252912
   0.50252430  0.66289385  0.91385868
   0.68303158  0.86704584  0.58094208
   0.68436568  0.87575174  0.48254154
   0.82350307  0.21732455  0.10766199
   1.04631146  0.44627133  0.31076558
   0.32167369  0.13026224  0.67118471
   0.20256032  0.69510953  0.76563931
  -0.04168508  1.11895565  0.09541463
   0.22743683  1.06805142  0.03519197
   0.65053914  0.33063554  0.86880639
   0.87346508  0.46582242  0.61283572
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817226    0.305794    0.099522
    -0.000000    9.898304    0.274938
    -0.000000    0.000000   14.091897
   Si   O    H 
    32    64    10
Direct configuration=  1064
   0.16682013  0.19535237 -0.02178791
   0.38044295  0.10116080  0.38401482
   0.12471728  0.42071384  0.12481896
   0.37042305  0.34668075  0.25585704
   0.10873202  0.16283425  0.48546040
   0.41939609  0.14549379  0.85289110
   0.09359446  0.40445381  0.62282473
   0.34511050  0.38927842  0.74809004
   0.11331102  0.69326787  0.00404298
   0.40113899  0.59269314  0.36101951
   0.06186121  0.92563647  0.14545961
   0.33121534  0.86103551  0.25009859
   0.18664863  0.67567088  0.50348495
   0.34857782  0.64054187  0.87498390
   0.07490703  0.92912992  0.61842335
   0.33342475  0.98690948  0.70833291
   0.64067695  0.17052633  1.00289946
   0.85958047  0.11600583  0.36562738
   0.61613437  0.43065707  0.12145386
   0.85857331  0.30759974  0.18046442
   0.61199091  0.19582930  0.51098463
   0.89355741  0.10819010  0.87585066
   0.57444166  0.45670251  0.62605484
   0.75049174  0.36070438  0.79759113
   0.60660587  0.67537919  0.00082447
   0.94016123  0.61210237  0.38764626
   0.56112311  0.92886919  0.12887865
   0.81067403  0.85041389  0.26253259
   0.65800957  0.65102691  0.46362796
   0.86546794  0.62375196  0.87993984
   0.59312252  0.94998403  0.63807070
   0.83582072  0.87569857  0.74416728
   0.03697061  0.09349887  0.13506726
   0.34037788  0.19363883  0.29422162
   0.13596488  0.33572810  0.03220838
   0.35619771  0.43704566  0.35462890
   0.51537135  0.34499201  0.19810448
   0.25643683  0.42098799  0.18493739
   0.27041049  0.10963337  0.46485821
   0.02686828  0.13557758  0.38619366
   0.03427475  0.07197302  0.56684949
   0.45771137  0.25654088  0.76674547
   0.09449999  0.31692977  0.52027156
   0.33791314  0.48640511  0.83930623
   0.42094063  0.48498834  0.65994678
   0.18713760  0.34331259  0.70741924
   0.29009401  0.22149181 -0.10152436
   0.02728278  0.17199194  0.91739612
   0.08055372  0.57017885  0.08079156
   0.37404708  0.69959102  0.27328175
   0.10113957  0.85097647  0.04210766
   0.38064970  0.94230268  0.33959448
   0.40084405  0.90146011  0.14626477
   0.17385380  0.89709293  0.22806726
   0.33680957  0.66706244  0.45788976
   0.08676354  0.68037265  0.41158800
   0.14264593  0.56253007  0.59031104
   0.29094226  0.72923791  0.78131871
   0.16939451  0.82921692  0.55102668
   0.38759689  1.00325286  0.81103660
   0.44424597  0.91077041  0.64408699
   0.17497346  0.95862817  0.70439052
   0.27199871  0.66765386 -0.02619604
   0.02140470  0.66464293  0.91251324
   0.60224453  0.07875819  0.09993894
   0.80817749  0.21191045  0.27049987
   0.62425621  0.32416411  0.03648108
   0.97476963  0.46953112  0.35417021
   0.01696899  0.35177773  0.19623530
   0.76331639  0.44440743  0.17090634
   0.75651616  0.18910049  0.44971433
   0.52344443  0.12075915  0.43227526
   0.61594436  0.10790513  0.61091589
   0.82298065  0.20099094  0.78323097
   0.56709379  0.34395321  0.53937797
   0.85850881  0.47165695  0.84455236
   0.93878976  0.41916657  0.66187622
   0.67123408  0.43426346  0.70873132
   0.78809049  0.11468172  0.96094626
   0.53535364  0.11396258  0.92577857
   0.56636398  0.57758631  0.09326106
   0.86368240  0.70280094  0.30242088
   0.60128325  0.83531038  0.03737724
   0.84341708  0.95863534  0.34362980
   0.90482173  0.87018378  0.16928989
   0.65224794  0.87002592  0.22465420
   0.82542064  0.58977348  0.46954434
   0.55983650  0.56706642  0.38409505
   0.60934022  0.59874664  0.56826818
   0.83041256  0.72262437  0.79197260
   0.64196610  0.80848828  0.44022102
   0.92169570  0.95939332  0.82521088
   0.92130480  0.86063655  0.64460350
   0.67554728  0.91833230  0.73922159
   0.75799186  0.63875970  0.97223262
   0.50246107  0.66413650  0.91481035
   0.68529523  0.87489498  0.58115546
   0.68612581  0.86654972  0.47898251
   0.81993833  0.21195255  0.10545911
   1.05745102  0.44723159  0.30819994
   0.31527336  0.13398579  0.66667868
   0.20567705  0.69670368  0.76677011
  -0.03564381  1.11099380  0.09661956
   0.22584128  1.06362171  0.03505979
   0.65141262  0.32547843  0.86096716
   0.86770616  0.46948559  0.61391242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816673    0.302861    0.101271
    -0.000000    9.897890    0.272957
    -0.000000    0.000000   14.094154
   Si   O    H 
    32    64    10
Direct configuration=  1065
   0.16693187  0.19602485 -0.02205043
   0.37934912  0.10143870  0.38342189
   0.12610679  0.42090604  0.12491980
   0.37139031  0.34624745  0.25499160
   0.10886068  0.16167901  0.48552425
   0.41942463  0.14302026  0.85465323
   0.09253064  0.40415468  0.62358001
   0.34543906  0.38850117  0.74836378
   0.11427938  0.69336727  0.00375703
   0.40078938  0.59251334  0.36052595
   0.06289430  0.92619662  0.14498826
   0.33116682  0.86183514  0.25024988
   0.18624904  0.67588826  0.50325606
   0.34765157  0.63958815  0.87462182
   0.07400418  0.92742814  0.61841083
   0.33278058  0.98702679  0.70892371
   0.64015993  0.17321382  1.00288480
   0.85932538  0.11546961  0.36644378
   0.61788330  0.42996364  0.12113954
   0.85865264  0.30710353  0.18063774
   0.61203396  0.19711231  0.51115481
   0.89379532  0.10812920  0.87565572
   0.57537535  0.45744119  0.62479428
   0.75193091  0.36028144  0.79784489
   0.60599790  0.67554646  0.00031450
   0.93912965  0.61242579  0.38768724
   0.56257778  0.92777169  0.12841267
   0.81008676  0.85018472  0.26346581
   0.65804475  0.65137848  0.46416399
   0.86656133  0.62393566  0.88023748
   0.59457445  0.94984859  0.63836735
   0.83615482  0.87563979  0.74418594
   0.03754479  0.09552193  0.13661425
   0.34054454  0.19532830  0.29406998
   0.13723341  0.33585807  0.03284345
   0.35748719  0.43797897  0.35508857
   0.51618454  0.34602511  0.19747002
   0.25566158  0.42239873  0.18577074
   0.27081588  0.11175709  0.46506443
   0.02602546  0.13601043  0.38572907
   0.03427561  0.07094268  0.56641110
   0.45967111  0.25702275  0.76612304
   0.09487961  0.31666392  0.52128639
   0.33806913  0.48700634  0.84013026
   0.42052562  0.48300633  0.65938577
   0.18705397  0.34470516  0.70639784
   0.28964508  0.22017058 -0.10071047
   0.02777159  0.17386895  0.91673773
   0.08175981  0.56963342  0.07999842
   0.37476520  0.69941405  0.27340253
   0.09795173  0.84963192  0.04201927
   0.37782623  0.94297415  0.34029388
   0.40292000  0.90036116  0.14677896
   0.17385763  0.89680189  0.22835766
   0.33881378  0.66827707  0.45778234
   0.08826691  0.68193671  0.41201422
   0.14334189  0.56102429  0.59018742
   0.29089066  0.72951669  0.78221742
   0.16932438  0.82944793  0.55146813
   0.38708964  1.00287287  0.81072881
   0.44204856  0.91160202  0.64354520
   0.17378750  0.95845239  0.70501096
   0.27293108  0.66817290 -0.02547805
   0.02078110  0.66431057  0.91215772
   0.60141282  0.07898978  0.10011389
   0.80852128  0.21112658  0.27169152
   0.62430781  0.32343620  0.03696307
   0.97574302  0.46834931  0.35433775
   0.01807461  0.35109526  0.19477571
   0.76184301  0.44576846  0.16970596
   0.75575478  0.18895253  0.44911385
   0.52260698  0.12047187  0.43309509
   0.61461340  0.10751261  0.61108306
   0.82200593  0.20069188  0.78317843
   0.56688501  0.34406808  0.54000279
   0.85860444  0.47103003  0.84474498
   0.93639541  0.41895734  0.65979606
   0.67117194  0.43497407  0.70954181
   0.78841716  0.11368044  0.96161144
   0.53585246  0.11590088  0.92586734
   0.56572206  0.57663978  0.09395308
   0.86358929  0.70120510  0.30343435
   0.60234316  0.83447172  0.03749017
   0.84235219  0.95952887  0.34347061
   0.90525043  0.87200356  0.17019805
   0.65233146  0.87139739  0.22543206
   0.82685484  0.59122023  0.47000372
   0.55909197  0.56606739  0.38301448
   0.60870158  0.59922274  0.56695105
   0.83215970  0.72325918  0.79206042
   0.64209381  0.80808996  0.44000313
   0.92155677  0.95946324  0.82520809
   0.92121523  0.86107543  0.64479297
   0.67526150  0.91923350  0.73881323
   0.75672373  0.64012743  0.97154254
   0.50176140  0.66506375  0.91565674
   0.68663859  0.88125184  0.57930147
   0.69133406  0.86605964  0.47979706
   0.81897565  0.21054188  0.10309110
   1.05795780  0.45011481  0.31146893
   0.31021627  0.13506278  0.66279266
   0.19808826  0.69410395  0.76698250
  -0.04210927  1.10853202  0.09162948
   0.22480813  1.06728324  0.03160665
   0.64315833  0.32122907  0.85773614
   0.87015424  0.46564470  0.62052682
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816038    0.299731    0.103045
    -0.000000    9.897715    0.270315
    -0.000000    0.000000   14.096481
   Si   O    H 
    32    64    10
Direct configuration=  1066
   0.16714122  0.19655760 -0.02248374
   0.37817005  0.10140218  0.38305155
   0.12722400  0.42110827  0.12490777
   0.37237653  0.34614319  0.25434201
   0.10913724  0.16093157  0.48520770
   0.41904970  0.14081834  0.85624449
   0.09130985  0.40429416  0.62336268
   0.34591971  0.38789587  0.74825358
   0.11452957  0.69302947  0.00390080
   0.39999986  0.59243585  0.36026967
   0.06329198  0.92680925  0.14430968
   0.33162294  0.86244302  0.25041733
   0.18631506  0.67632120  0.50321607
   0.34723375  0.63884856  0.87486402
   0.07374970  0.92574688  0.61850972
   0.33163851  0.98725816  0.70883369
   0.63958911  0.17567631  1.00277694
   0.85943793  0.11552837  0.36709034
   0.61885480  0.42938790  0.12109972
   0.85839060  0.30637928  0.18085376
   0.61259821  0.19792700  0.51187565
   0.89396926  0.10796210  0.87529263
   0.57601269  0.45826063  0.62364637
   0.75331926  0.36012360  0.79832222
   0.60571736  0.67589978 -0.00005917
   0.93777667  0.61303623  0.38733466
   0.56414252  0.92566011  0.12773693
   0.80946652  0.85049754  0.26428950
   0.65804798  0.65129271  0.46434510
   0.86764217  0.62395212  0.88046437
   0.59639806  0.94900555  0.63873378
   0.83606177  0.87506463  0.74494908
   0.03852243  0.09738657  0.13737483
   0.34076983  0.19737835  0.29380751
   0.13803144  0.33583337  0.03253861
   0.35902270  0.43871337  0.35497581
   0.51685437  0.34747661  0.19729924
   0.25683184  0.42406230  0.18671094
   0.26998185  0.11357347  0.46526377
   0.02538305  0.13696789  0.38468881
   0.03422704  0.06940191  0.56609367
   0.46094379  0.25672587  0.76600304
   0.09546370  0.31626894  0.52241131
   0.33749127  0.48716560  0.84116889
   0.41953568  0.48134039  0.65954434
   0.18783945  0.34588534  0.70567573
   0.28864556  0.21975707 -0.09950615
   0.02826056  0.17462688  0.91632187
   0.08260360  0.56912792  0.07905938
   0.37578439  0.69864413  0.27369836
   0.09467381  0.84862601  0.04194836
   0.37569562  0.94394471  0.34152416
   0.40597091  0.89974211  0.14741793
   0.17365736  0.89657387  0.22825684
   0.34041686  0.66944545  0.45840254
   0.08960869  0.68398187  0.41229522
   0.14463990  0.56055706  0.59009835
   0.29097043  0.72930068  0.78330120
   0.16872130  0.82998290  0.55184047
   0.38592600  1.00247538  0.81078551
   0.44078177  0.91230407  0.64270627
   0.17329875  0.95806674  0.70600507
   0.27344806  0.66807489 -0.02499963
   0.02023634  0.66423370  0.91180652
   0.60198674  0.07992264  0.10013241
   0.80878372  0.21039927  0.27297288
   0.62455227  0.32256399  0.03692139
   0.97726683  0.46619072  0.35420220
   0.01825624  0.34953019  0.19400463
   0.76100537  0.44755901  0.16830874
   0.75446449  0.18904232  0.44850194
   0.52156294  0.11991431  0.43427494
   0.61362390  0.10826307  0.61105854
   0.82095930  0.20144926  0.78372072
   0.56734335  0.34475192  0.54084639
   0.85862465  0.47081218  0.84528293
   0.93403408  0.41864098  0.65784230
   0.67252205  0.43499969  0.71010478
   0.78888337  0.11272849  0.96303903
   0.53641241  0.11823727  0.92573516
   0.56544022  0.57708852  0.09374888
   0.86302845  0.70032023  0.30394245
   0.60283440  0.83302336  0.03759222
   0.84152861  0.96054453  0.34321318
   0.90658363  0.87442610  0.17136993
   0.65207513  0.87393239  0.22589986
   0.82767071  0.59214083  0.47050767
   0.55898361  0.56503896  0.38293888
   0.60862893  0.59876626  0.56564906
   0.83337284  0.72315469  0.79223029
   0.64178405  0.80768771  0.43963176
   0.92176687  0.95943666  0.82505409
   0.92218447  0.86257953  0.64536539
   0.67420172  0.91955726  0.73845477
   0.75539824  0.64167436  0.97017134
   0.50126092  0.66612704  0.91579813
   0.69065186  0.88404810  0.57620662
   0.70357372  0.86681566  0.47991641
   0.81963480  0.21515871  0.10157998
   1.04949013  0.45205484  0.31805244
   0.30567847  0.13410716  0.66015167
   0.19813276  0.68974172  0.76845635
  -0.04621482  1.10601517  0.09075413
   0.22164774  1.08062084  0.02622738
   0.63107922  0.31556967  0.85985327
   0.87081125  0.46536496  0.62420640
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815642    0.296168    0.104370
    -0.000000    9.896991    0.268305
    -0.000000    0.000000   14.098597
   Si   O    H 
    32    64    10
Direct configuration=  1067
   0.16717319  0.19698652 -0.02287935
   0.37737758  0.10118908  0.38278364
   0.12767812  0.42127671  0.12483659
   0.37285853  0.34612554  0.25362144
   0.10906963  0.16076395  0.48470564
   0.41872578  0.13912648  0.85702708
   0.08962291  0.40434040  0.62229485
   0.34685281  0.38708900  0.74822627
   0.11501379  0.69232095  0.00389109
   0.39998758  0.59221818  0.36046312
   0.06358451  0.92626738  0.14387774
   0.33200182  0.86302184  0.25060970
   0.18677865  0.67658378  0.50322532
   0.34665879  0.63875517  0.87561996
   0.07354078  0.92397718  0.61838033
   0.33030873  0.98826393  0.70858744
   0.63957508  0.17675106  1.00309942
   0.85947192  0.11537924  0.36754983
   0.61864658  0.42814827  0.12084422
   0.85753153  0.30546188  0.18137578
   0.61361333  0.19876277  0.51253976
   0.89379088  0.10819055  0.87516895
   0.57594209  0.45921365  0.62252473
   0.75471991  0.35945686  0.79883724
   0.60527952  0.67630151 -0.00023023
   0.93706111  0.61419992  0.38665104
   0.56506129  0.92367155  0.12720276
   0.80940860  0.85075095  0.26519953
   0.65762863  0.65035591  0.46383407
   0.86896957  0.62463804  0.88092450
   0.59818973  0.94916151  0.63902387
   0.83551317  0.87458014  0.74530794
   0.03903632  0.09851728  0.13777685
   0.34110106  0.20040487  0.29332554
   0.13893753  0.33521995  0.03281833
   0.36052702  0.43863061  0.35488068
   0.51735221  0.34938675  0.19682213
   0.25774988  0.42637236  0.18721859
   0.26864726  0.11509037  0.46601606
   0.02509324  0.13767127  0.38347337
   0.03386621  0.06786229  0.56591033
   0.46171623  0.25715002  0.76641242
   0.09651616  0.31639867  0.52337532
   0.33680112  0.48741378  0.84198560
   0.41796166  0.47925160  0.65976872
   0.18869537  0.34630387  0.70599243
   0.28731652  0.21967027 -0.09798341
   0.02904860  0.17539533  0.91616925
   0.08277171  0.56943874  0.07821548
   0.37614638  0.69772854  0.27373480
   0.09147518  0.84777652  0.04198944
   0.37351358  0.94596203  0.34198096
   0.40860114  0.89934154  0.14816542
   0.17300368  0.89681951  0.22835879
   0.34190824  0.67061128  0.45962636
   0.09032097  0.68562114  0.41240369
   0.14468355  0.56128201  0.58975105
   0.29109673  0.72878443  0.78397041
   0.16761249  0.83071296  0.55230817
   0.38512165  1.00060083  0.81151635
   0.44008331  0.91333635  0.64171026
   0.17222687  0.95748385  0.70674697
   0.27384651  0.66772167 -0.02478374
   0.01995888  0.66484517  0.91124828
   0.60337725  0.08081440  0.10010074
   0.81023174  0.20872659  0.27437081
   0.62409492  0.32245262  0.03615226
   0.97814539  0.46309529  0.35523102
   0.01855103  0.34797487  0.19256401
   0.76066356  0.44938840  0.16687858
   0.75357352  0.18972347  0.44796424
   0.52046574  0.12004455  0.43491202
   0.61264237  0.10919011  0.61127850
   0.82047041  0.20217878  0.78388389
   0.56753000  0.34613853  0.54151875
   0.85844519  0.47044922  0.84568428
   0.93269281  0.41846685  0.65690223
   0.67354723  0.43452180  0.71056063
   0.78925385  0.11225317  0.96441138
   0.53739782  0.12103460  0.92597135
   0.56538336  0.57780522  0.09274525
   0.86234358  0.70051402  0.30355280
   0.60366768  0.83096550  0.03830625
   0.84121565  0.96141425  0.34344536
   0.90743200  0.87588944  0.17231753
   0.65188626  0.87653237  0.22598140
   0.82791959  0.59280379  0.47109070
   0.56041216  0.56478967  0.38331682
   0.60886989  0.59874564  0.56424382
   0.83507212  0.72363768  0.79249074
   0.64237001  0.80792387  0.43951695
   0.92148294  0.95891364  0.82493223
   0.92325362  0.86365812  0.64618758
   0.67323070  0.91942046  0.73836677
   0.75475156  0.64333883  0.96894469
   0.50134143  0.66704485  0.91582464
   0.69546630  0.88485148  0.57310857
   0.71039364  0.86336435  0.47653930
   0.82612174  0.22256472  0.10271620
   1.06138770  0.45041332  0.31468189
   0.30206665  0.12730836  0.65924228
   0.20937659  0.69070919  0.77138608
  -0.04167937  1.10589104  0.09522078
   0.22165930  1.08961526  0.02277728
   0.62610660  0.31517010  0.86137008
   0.85942837  0.47534157  0.61983424
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814749    0.292903    0.105174
    -0.000000    9.896199    0.265716
    -0.000000    0.000000   14.100742
   Si   O    H 
    32    64    10
Direct configuration=  1068
   0.16665939  0.19784170 -0.02375448
   0.37682769  0.10082493  0.38219460
   0.12805167  0.42157216  0.12454203
   0.37316261  0.34681849  0.25288655
   0.10873940  0.16035227  0.48446755
   0.41842319  0.13800668  0.85759779
   0.08828315  0.40425491  0.62098809
   0.34758928  0.38614537  0.74837740
   0.11542184  0.69195066  0.00357154
   0.39966693  0.59193736  0.36124378
   0.06352303  0.92592033  0.14330268
   0.33207273  0.86247097  0.25095687
   0.18764785  0.67712109  0.50336624
   0.34588690  0.63891986  0.87670034
   0.07341104  0.92265498  0.61802334
   0.32859989  0.98884746  0.70818001
   0.63916834  0.17778130  1.00351990
   0.85888860  0.11582455  0.36780263
   0.61830185  0.42753603  0.12034978
   0.85648283  0.30478655  0.18200477
   0.61436867  0.19895357  0.51298863
   0.89325475  0.10830871  0.87469883
   0.57576717  0.46068152  0.62161254
   0.75524389  0.35892270  0.79927000
   0.60512730  0.67627647 -0.00016860
   0.93654934  0.61480882  0.38557001
   0.56571771  0.92185225  0.12723257
   0.80943883  0.85123179  0.26642522
   0.65726065  0.64915208  0.46276309
   0.87032250  0.62534782  0.88123986
   0.60043717  0.94913757  0.63913353
   0.83500090  0.87410858  0.74580320
   0.03931849  0.09849232  0.13837684
   0.34161342  0.20289772  0.29333381
   0.14032860  0.33440206  0.03230650
   0.36162337  0.43825603  0.35445868
   0.51734573  0.35112464  0.19677288
   0.25932621  0.42864810  0.18751054
   0.26688400  0.11662454  0.46705511
   0.02465012  0.13818758  0.38208505
   0.03269810  0.06658184  0.56550330
   0.46164051  0.25751316  0.76745677
   0.09743907  0.31668536  0.52418392
   0.33646582  0.48791706  0.84262221
   0.41639835  0.47812793  0.65992951
   0.18872733  0.34759954  0.70681522
   0.28599798  0.21938702 -0.09690307
   0.02943017  0.17627322  0.91570144
   0.08273501  0.56957914  0.07787226
   0.37668989  0.69782575  0.27332205
   0.08842964  0.84662810  0.04209479
   0.37142455  0.94780145  0.34162350
   0.41064199  0.89872931  0.14930028
   0.17182984  0.89637077  0.22892592
   0.34318365  0.67176439  0.46066687
   0.09097806  0.68700176  0.41226314
   0.14433029  0.56103770  0.58933068
   0.29245725  0.72909501  0.78493972
   0.16681825  0.83094356  0.55184939
   0.38472891  0.99834654  0.81220168
   0.43954863  0.91456848  0.64056464
   0.17155790  0.95693426  0.70786750
   0.27431767  0.66779338 -0.02494923
   0.01955404  0.66547138  0.91111312
   0.60422730  0.08206421  0.09978090
   0.81179642  0.20693250  0.27528884
   0.62383402  0.32346044  0.03514750
   0.97936791  0.45945037  0.35607378
   0.01830380  0.34738594  0.19115941
   0.76100271  0.45109066  0.16569673
   0.75366901  0.19015673  0.44772545
   0.51925695  0.11959795  0.43540292
   0.61260124  0.10962647  0.61091827
   0.82051321  0.20376600  0.78428691
   0.56752396  0.34838691  0.54212295
   0.85735832  0.47072940  0.84609811
   0.93034515  0.41883870  0.65670118
   0.67488492  0.43440714  0.71033321
   0.79005350  0.11158354  0.96577050
   0.53887934  0.12336781  0.92662025
   0.56551598  0.57882840  0.09192797
   0.86124181  0.70105258  0.30272497
   0.60467583  0.82961713  0.03885026
   0.84028108  0.96234342  0.34409641
   0.90886696  0.87589224  0.17332438
   0.65212404  0.87895159  0.22610345
   0.82735916  0.59367096  0.47214855
   0.56269065  0.56522230  0.38396175
   0.60879806  0.59885732  0.56350462
   0.83747392  0.72404324  0.79315886
   0.64444339  0.80900843  0.43932191
   0.92153426  0.95877347  0.82460656
   0.92434138  0.86464033  0.64718969
   0.67240645  0.91852949  0.73897516
   0.75503877  0.64435674  0.96746416
   0.50184169  0.66768623  0.91542759
   0.69674507  0.88571167  0.57209766
   0.71187158  0.85640971  0.46929611
   0.83122150  0.23014475  0.10061317
   1.06641875  0.44735837  0.31159658
   0.30094522  0.12194505  0.66077030
   0.20769515  0.68947072  0.77476125
  -0.03807277  1.10305856  0.09940140
   0.22874509  1.08829753  0.02271162
   0.63227863  0.32275992  0.86076583
   0.86132835  0.48006270  0.61694774
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813853    0.289477    0.105314
    -0.000000    9.895701    0.263534
    -0.000000    0.000000   14.102956
   Si   O    H 
    32    64    10
Direct configuration=  1069
   0.16613459  0.19851784 -0.02413969
   0.37642117  0.10029620  0.38151430
   0.12788275  0.42152925  0.12432189
   0.37344952  0.34758902  0.25225134
   0.10787479  0.16018157  0.48432594
   0.41804578  0.13767566  0.85762898
   0.08689759  0.40460712  0.61990323
   0.34810448  0.38596574  0.74848796
   0.11584642  0.69107333  0.00332511
   0.39972007  0.59288404  0.36231303
   0.06282659  0.92585238  0.14315921
   0.33268387  0.86232574  0.25135199
   0.18889788  0.67746543  0.50389110
   0.34550802  0.63953212  0.87740543
   0.07353315  0.92160905  0.61774766
   0.32702250  0.98984903  0.70790352
   0.63859347  0.17814401  1.00387308
   0.85763843  0.11693344  0.36807573
   0.61692581  0.42710418  0.11971084
   0.85577874  0.30391285  0.18283009
   0.61572469  0.19847346  0.51281043
   0.89347537  0.10854576  0.87409312
   0.57542372  0.46159727  0.62118812
   0.75614890  0.35832623  0.79983565
   0.60491034  0.67630589 -0.00003896
   0.93660279  0.61537191  0.38465184
   0.56702789  0.92051508  0.12740874
   0.80975035  0.85178330  0.26737032
   0.65668173  0.64758890  0.46159745
   0.87144853  0.62559192  0.88165963
   0.60268671  0.94864393  0.63960066
   0.83502197  0.87332880  0.74597909
   0.04025692  0.09731046  0.13879355
   0.34226740  0.20427222  0.29335752
   0.14146597  0.33322241  0.03203724
   0.36216986  0.43784741  0.35386575
   0.51699836  0.35241559  0.19764821
   0.26054271  0.43068276  0.18767629
   0.26493177  0.11769794  0.46797539
   0.02408707  0.13952600  0.38119452
   0.03224503  0.06512027  0.56449786
   0.46100170  0.25826609  0.76890283
   0.09864159  0.31612427  0.52484878
   0.33584983  0.48744317  0.84281553
   0.41473191  0.47713535  0.66001696
   0.18889676  0.34869354  0.70710284
   0.28500772  0.21903149 -0.09580506
   0.03016971  0.17644984  0.91530182
   0.08228275  0.56927004  0.07780690
   0.37745796  0.69797006  0.27329339
   0.08610622  0.84564183  0.04223584
   0.37018644  0.94932050  0.34083070
   0.41226893  0.89775991  0.15067284
   0.17061022  0.89513978  0.22961813
   0.34406414  0.67241274  0.46206773
   0.09109076  0.68775887  0.41226254
   0.14318241  0.56116551  0.58857483
   0.29396501  0.72982604  0.78574163
   0.16588399  0.83116738  0.55132288
   0.38424103  0.99505169  0.81328801
   0.43866642  0.91521309  0.63959763
   0.16979425  0.95567787  0.70891724
   0.27336817  0.66743957 -0.02493656
   0.01989500  0.66622134  0.91090455
   0.60570576  0.08338354  0.09966493
   0.81353716  0.20566220  0.27610678
   0.62262434  0.32518324  0.03372493
   0.98103572  0.45610855  0.35674509
   0.01775115  0.34693360  0.18987948
   0.76143033  0.45242342  0.16514489
   0.75414688  0.19037843  0.44777769
   0.51827196  0.11843801  0.43588188
   0.61274712  0.10973539  0.61069234
   0.82146859  0.20508712  0.78489902
   0.56730807  0.34975805  0.54258669
   0.85559123  0.47056349  0.84574516
   0.92784225  0.41950584  0.65674073
   0.67671698  0.43434063  0.71031084
   0.79025697  0.11099612  0.96642787
   0.54033540  0.12620794  0.92710501
   0.56536369  0.57967782  0.09103729
   0.86046358  0.70244177  0.30201796
   0.60566160  0.82750567  0.03951296
   0.83931051  0.96297068  0.34544569
   0.91010972  0.87578427  0.17444046
   0.65295269  0.88081075  0.22626650
   0.82698858  0.59460177  0.47316448
   0.56518148  0.56609541  0.38431322
   0.60861993  0.59946028  0.56337719
   0.83975172  0.72383186  0.79359852
   0.64671982  0.80919367  0.43844245
   0.92139771  0.95976962  0.82453418
   0.92460584  0.86524133  0.64808106
   0.67230539  0.91800950  0.73964750
   0.75548890  0.64500391  0.96558604
   0.50302827  0.66827833  0.91507682
   0.69353111  0.88582115  0.57340291
   0.71596309  0.85539554  0.46478740
   0.83715578  0.23835541  0.09581287
   1.06070741  0.44763691  0.31109064
   0.30380763  0.11714793  0.66057916
   0.19708306  0.68219991  0.77712962
  -0.04308311  1.10651982  0.09677380
   0.23846464  1.08206361  0.02555942
   0.64304267  0.32999960  0.85751890
   0.87298816  0.47824234  0.61663798
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812580    0.286079    0.105877
    -0.000000    9.894885    0.261803
    -0.000000    0.000000   14.104937
   Si   O    H 
    32    64    10
Direct configuration=  1070
   0.16507929  0.19906098 -0.02421208
   0.37620433  0.09956592  0.38128457
   0.12765240  0.42128307  0.12433405
   0.37389229  0.34864130  0.25160105
   0.10652840  0.16098482  0.48394514
   0.41646557  0.13735085  0.85790154
   0.08632142  0.40487871  0.61845598
   0.34877079  0.38537792  0.74814248
   0.11583384  0.69061661  0.00339218
   0.40018711  0.59354104  0.36349136
   0.06225808  0.92594878  0.14295237
   0.33313733  0.86249716  0.25181336
   0.18970884  0.67815618  0.50444782
   0.34546499  0.64011528  0.87787963
   0.07388452  0.92085199  0.61727019
   0.32582019  0.99021473  0.70695251
   0.63823464  0.17759284  1.00447517
   0.85627431  0.11796835  0.36811087
   0.61487824  0.42762390  0.11913119
   0.85590707  0.30384363  0.18395944
   0.61716740  0.19768650  0.51250312
   0.89411670  0.10891724  0.87378068
   0.57526558  0.46232801  0.62101728
   0.75757532  0.35803585  0.79968651
   0.60498629  0.67684099 -0.00004721
   0.93727837  0.61559588  0.38411993
   0.56860727  0.91916081  0.12763914
   0.80953324  0.85246984  0.26763920
   0.65616290  0.64583515  0.46038916
   0.87150496  0.62520177  0.88212432
   0.60485774  0.94797877  0.63991863
   0.83496068  0.87292540  0.74661173
   0.04197229  0.09596667  0.13864911
   0.34193476  0.20582628  0.29331694
   0.14179972  0.33223488  0.03156432
   0.36230963  0.43712910  0.35346913
   0.51686485  0.35310073  0.19904623
   0.26153781  0.43226623  0.18792015
   0.26248360  0.11895088  0.46850453
   0.02420893  0.14079640  0.38115109
   0.03120713  0.06412782  0.56376453
   0.45942304  0.25889435  0.77017454
   0.10020089  0.31502988  0.52541856
   0.33597576  0.48635015  0.84307831
   0.41325634  0.47658724  0.66038565
   0.18891717  0.34955085  0.70743463
   0.28461810  0.21841682 -0.09546595
   0.03018383  0.17670600  0.91499555
   0.08086844  0.56951206  0.07800012
   0.37788366  0.69759290  0.27326006
   0.08462913  0.84559275  0.04261362
   0.36976865  0.95166537  0.34033518
   0.41331268  0.89763529  0.15253816
   0.17000560  0.89406329  0.23009616
   0.34468057  0.67321364  0.46348679
   0.08997130  0.68850032  0.41214838
   0.14350488  0.56140026  0.58821941
   0.29442501  0.73046026  0.78658226
   0.16476861  0.83016530  0.55076322
   0.38512725  0.99251745  0.81454324
   0.43807970  0.91502115  0.63896680
   0.16871369  0.95493269  0.71013591
   0.27276899  0.66661561 -0.02452118
   0.02093264  0.66789289  0.91108534
   0.60686908  0.08482934  0.10011104
   0.81484783  0.20508858  0.27598965
   0.62187152  0.32777449  0.03273770
   0.98333061  0.45317141  0.35684775
   0.01776114  0.34584936  0.18889114
   0.76213755  0.45307994  0.16423799
   0.75552593  0.18973101  0.44859987
   0.51723820  0.11701806  0.43613154
   0.61383689  0.10992387  0.60997023
   0.82244335  0.20611276  0.78497695
   0.56705757  0.35017045  0.54286522
   0.85407149  0.47024134  0.84546957
   0.92615768  0.41976809  0.65651490
   0.67736564  0.43476182  0.71016575
   0.78992194  0.11119107  0.96687443
   0.54119650  0.12864152  0.92749968
   0.56492813  0.57994842  0.09004538
   0.85910141  0.70417860  0.30165608
   0.60663788  0.82553787  0.04003711
   0.83751674  0.96330627  0.34645218
   0.91078636  0.87497354  0.17510494
   0.65326241  0.88169151  0.22606525
   0.82609182  0.59616166  0.47401809
   0.56787886  0.56705178  0.38520747
   0.60874874  0.60023412  0.56370557
   0.84185037  0.72302715  0.79359942
   0.64894372  0.80914620  0.43741717
   0.92083648  0.96076282  0.82426108
   0.92393720  0.86586221  0.64918461
   0.67148541  0.91791187  0.74051389
   0.75611362  0.64601181  0.96359952
   0.50350343  0.66819241  0.91480627
   0.68665665  0.88496262  0.57407099
   0.73102263  0.86214047  0.46530947
   0.84103090  0.24914514  0.08867775
   1.04943118  0.44888775  0.31165218
   0.30751158  0.11785522  0.66140225
   0.19951407  0.68092154  0.78152126
  -0.04502616  1.11116677  0.09753629
   0.24286479  1.07488224  0.02983288
   0.64738113  0.33584905  0.85952537
   0.88057583  0.48033992  0.61353628
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810688    0.283054    0.106714
    -0.000000    9.894122    0.260364
    -0.000000    0.000000   14.107674
   Si   O    H 
    32    64    10
Direct configuration=  1071
   0.16436988  0.19915882 -0.02393593
   0.37561348  0.09883616  0.38165818
   0.12722101  0.42094855  0.12425384
   0.37340627  0.34985762  0.25112434
   0.10539054  0.16205828  0.48343227
   0.41465548  0.13695187  0.85803138
   0.08673931  0.40572752  0.61743262
   0.34903374  0.38494070  0.74800056
   0.11529712  0.69020625  0.00360239
   0.40086035  0.59413664  0.36530345
   0.06195006  0.92567494  0.14323824
   0.33240064  0.86258249  0.25260108
   0.19067417  0.67890640  0.50507084
   0.34578685  0.64055456  0.87855141
   0.07402600  0.92096876  0.61715138
   0.32489412  0.98995906  0.70607170
   0.63830390  0.17681440  1.00517277
   0.85485261  0.11951304  0.36801473
   0.61190841  0.42798266  0.11878033
   0.85604731  0.30358345  0.18466550
   0.61787539  0.19668461  0.51203450
   0.89444264  0.10933895  0.87349223
   0.57474067  0.46249901  0.62135774
   0.75925245  0.35783921  0.79960965
   0.60573526  0.67725537  0.00014718
   0.93850377  0.61598968  0.38335639
   0.57047802  0.91778191  0.12846139
   0.80965680  0.85341012  0.26787240
   0.65499828  0.64403140  0.45963032
   0.87084878  0.62514129  0.88249761
   0.60623255  0.94715085  0.63991760
   0.83514869  0.87243396  0.74711537
   0.04392304  0.09426492  0.13789907
   0.34167684  0.20666345  0.29353127
   0.14252661  0.33074306  0.03141327
   0.36236482  0.43532341  0.35303225
   0.51698664  0.35434298  0.20044919
   0.26209202  0.43345482  0.18851886
   0.26005143  0.11925525  0.46921121
   0.02527332  0.14177777  0.38135267
   0.03036506  0.06409759  0.56287950
   0.45775541  0.25781193  0.77180546
   0.10200280  0.31413918  0.52584342
   0.33561937  0.48464937  0.84320936
   0.41263179  0.47681402  0.66057239
   0.18878571  0.35043025  0.70733245
   0.28429740  0.21787253 -0.09616315
   0.03047621  0.17684368  0.91414523
   0.08028680  0.56886893  0.07803754
   0.37806280  0.69678660  0.27288759
   0.08394433  0.84559158  0.04230308
   0.36951757  0.95381150  0.34061214
   0.41354453  0.89827470  0.15421808
   0.16957172  0.89313511  0.23018204
   0.34536393  0.67284672  0.46416004
   0.08786221  0.68951792  0.41163826
   0.14365390  0.56227792  0.58755257
   0.29448355  0.73059476  0.78766180
   0.16377491  0.82832505  0.55006634
   0.38525671  0.99023016  0.81536438
   0.43775589  0.91481217  0.63799573
   0.16776714  0.95324903  0.71081977
   0.27102601  0.66630049 -0.02392161
   0.02190913  0.66861849  0.91119291
   0.60802594  0.08553708  0.10118438
   0.81587809  0.20517541  0.27573050
   0.62188622  0.33042682  0.03156042
   0.98500775  0.45037097  0.35780720
   0.01737235  0.34378467  0.18781574
   0.76362785  0.45374063  0.16301841
   0.75678179  0.18878913  0.44875969
   0.51604910  0.11659388  0.43708219
   0.61449343  0.11062596  0.60888768
   0.82272331  0.20574732  0.78543878
   0.56704932  0.35113166  0.54259378
   0.85285430  0.47048255  0.84563542
   0.92455714  0.41956821  0.65623141
   0.67700112  0.43598168  0.70976315
   0.78967445  0.11190612  0.96751901
   0.54273728  0.13111797  0.92751985
   0.56418054  0.58012259  0.08877824
   0.85807236  0.70586454  0.30094404
   0.60837840  0.82407239  0.04106972
   0.83557625  0.96403765  0.34697207
   0.91157845  0.87469017  0.17538877
   0.65416332  0.88257328  0.22637745
   0.82499528  0.59757722  0.47457869
   0.56948925  0.56772439  0.38629297
   0.60907885  0.60158757  0.56410230
   0.84352402  0.72163126  0.79333792
   0.65161233  0.80914091  0.43575596
   0.92084355  0.96160094  0.82390460
   0.92282845  0.86563995  0.65015925
   0.67085399  0.91787522  0.74154607
   0.75588092  0.64786408  0.96180969
   0.50365352  0.66798169  0.91463831
   0.68646965  0.87752839  0.57536219
   0.73724903  0.86012121  0.46345927
   0.84248213  0.25773489  0.08145063
   1.05386309  0.44837287  0.30292993
   0.31167364  0.12391375  0.65935377
   0.21055427  0.68508285  0.78574299
  -0.03647693  1.11159050  0.10014087
   0.24260764  1.06986272  0.03273056
   0.64356998  0.34050447  0.86306773
   0.88022004  0.48506048  0.60716376
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809196    0.279883    0.107597
    -0.000000    9.893533    0.259265
    -0.000000    0.000000   14.110589
   Si   O    H 
    32    64    10
Direct configuration=  1072
   0.16388102  0.19815103 -0.02358153
   0.37458372  0.09829988  0.38224436
   0.12709283  0.42069788  0.12398581
   0.37278071  0.35127254  0.25071682
   0.10435014  0.16329617  0.48297240
   0.41315948  0.13680794  0.85792329
   0.08752876  0.40658285  0.61664753
   0.34914884  0.38454676  0.74799711
   0.11505560  0.68983821  0.00354738
   0.40184967  0.59461904  0.36666473
   0.06133180  0.92567177  0.14363695
   0.33130922  0.86218647  0.25316583
   0.19133868  0.67953963  0.50611152
   0.34709376  0.64096148  0.87889859
   0.07369331  0.92138875  0.61734971
   0.32408793  0.99000456  0.70553019
   0.63912365  0.17540526  1.00571016
   0.85337079  0.12067272  0.36831905
   0.60894220  0.42867550  0.11830784
   0.85638734  0.30307534  0.18504446
   0.61834092  0.19572779  0.51173644
   0.89471678  0.10986948  0.87376632
   0.57457470  0.46281402  0.62146016
   0.76068134  0.35834856  0.79911334
   0.60627277  0.67772494  0.00001868
   0.93963787  0.61570141  0.38277789
   0.57271089  0.91676730  0.12947889
   0.81020264  0.85422323  0.26763109
   0.65460339  0.64284308  0.45869354
   0.86993400  0.62481385  0.88255323
   0.60689842  0.94594726  0.63948607
   0.83544497  0.87208773  0.74773892
   0.04595469  0.09195774  0.13783051
   0.34081056  0.20735970  0.29392122
   0.14345778  0.32925794  0.03131828
   0.36251298  0.43454644  0.35238293
   0.51680812  0.35534007  0.20144103
   0.26191869  0.43420264  0.18935840
   0.25813538  0.11911154  0.46905320
   0.02636297  0.14292786  0.38161179
   0.02887170  0.06411745  0.56181216
   0.45553977  0.25658994  0.77300128
   0.10354293  0.31270301  0.52539035
   0.33511423  0.48247099  0.84355390
   0.41238734  0.47797157  0.66064906
   0.18933597  0.35123766  0.70711434
   0.28475443  0.21713121 -0.09713049
   0.03093846  0.17618821  0.91322982
   0.07992093  0.56803279  0.07802749
   0.37770809  0.69626956  0.27242387
   0.08385244  0.84554880  0.04230961
   0.36933378  0.95525632  0.34056602
   0.41375446  0.89844094  0.15659361
   0.17023197  0.89223922  0.23019545
   0.34548632  0.67181970  0.46504677
   0.08545475  0.69065051  0.41071364
   0.14418363  0.56311932  0.58643728
   0.29503730  0.73089171  0.78880258
   0.16336049  0.82647189  0.54937599
   0.38551942  0.98886726  0.81630770
   0.43771302  0.91522102  0.63682131
   0.16765874  0.95171058  0.71099108
   0.26977841  0.66641733 -0.02266474
   0.02304327  0.66897148  0.91176893
   0.60854908  0.08577045  0.10244324
   0.81674271  0.20618887  0.27481983
   0.62194473  0.33342517  0.03009045
   0.98657439  0.44885438  0.35829989
   0.01671619  0.34227967  0.18657998
   0.76499141  0.45362260  0.16253731
   0.75819737  0.18850929  0.44878039
   0.51436140  0.11597776  0.43792404
   0.61462083  0.11075703  0.60855458
   0.82350474  0.20554084  0.78614602
   0.56697318  0.35210457  0.54214151
   0.85203347  0.47109252  0.84602109
   0.92303744  0.41893636  0.65592692
   0.67706612  0.43680560  0.70852411
   0.78980554  0.11330857  0.96811763
   0.54404903  0.13324365  0.92745603
   0.56285672  0.57985603  0.08796382
   0.85693805  0.70691626  0.29969094
   0.60924198  0.82334945  0.04228192
   0.83380347  0.96451095  0.34707178
   0.91266232  0.87479359  0.17634780
   0.65486590  0.88341029  0.22746141
   0.82436891  0.59855231  0.47503914
   0.57069862  0.56795859  0.38659502
   0.60924213  0.60357130  0.56492799
   0.84433538  0.72128752  0.79240617
   0.65490332  0.80969349  0.43427209
   0.92028819  0.96273883  0.82281859
   0.92188348  0.86586135  0.65096524
   0.67049309  0.91794768  0.74269867
   0.75582280  0.64897562  0.96033228
   0.50411817  0.66741584  0.91461262
   0.68612684  0.86499883  0.57352683
   0.72752877  0.85122497  0.45772927
   0.84447814  0.26360484  0.07794321
   1.05092792  0.44429551  0.29881463
   0.31540933  0.12957121  0.65871568
   0.21204640  0.68682388  0.78796448
  -0.03089452  1.11360988  0.10230049
   0.23767810  1.06936890  0.03112725
   0.63914238  0.34217131  0.86554354
   0.88166551  0.48287662  0.60550656
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807780    0.275944    0.108636
    -0.000000    9.893225    0.258319
    -0.000000    0.000000   14.113614
   Si   O    H 
    32    64    10
Direct configuration=  1073
   0.16357158  0.19680670 -0.02364245
   0.37349300  0.09837506  0.38327575
   0.12671276  0.42012185  0.12363456
   0.37208930  0.35342447  0.25076798
   0.10303189  0.16486783  0.48265909
   0.41100568  0.13687044  0.85797084
   0.08818368  0.40725752  0.61623111
   0.34921414  0.38448966  0.74805216
   0.11478552  0.68948575  0.00372156
   0.40284942  0.59505681  0.36812899
   0.06100027  0.92517706  0.14398258
   0.33038772  0.86160577  0.25329849
   0.19189782  0.67954022  0.50727011
   0.34886720  0.64106880  0.87918411
   0.07257386  0.92191752  0.61811054
   0.32360925  0.99034127  0.70484737
   0.64081056  0.17366474  1.00654484
   0.85197309  0.12170363  0.36889926
   0.60662893  0.42974906  0.11858305
   0.85592647  0.30269727  0.18489200
   0.61797737  0.19509118  0.51079079
   0.89481730  0.11018712  0.87384060
   0.57431861  0.46376100  0.62182786
   0.76113121  0.35898882  0.79857336
   0.60666403  0.67858488 -0.00026342
   0.94100740  0.61493288  0.38268631
   0.57472902  0.91660724  0.13044064
   0.81079899  0.85520139  0.26691613
   0.65503298  0.64213106  0.45850287
   0.86904547  0.62475595  0.88256011
   0.60714783  0.94550368  0.63877852
   0.83583480  0.87234866  0.74802689
   0.04912845  0.08953278  0.13827426
   0.33920413  0.20733395  0.29417762
   0.14447898  0.32825963  0.03145711
   0.36309663  0.43365907  0.35212129
   0.51666879  0.35622111  0.20216052
   0.26153006  0.43467851  0.18979883
   0.25668732  0.11927433  0.46835790
   0.02651894  0.14395273  0.38262064
   0.02752495  0.06451724  0.56097860
   0.45282486  0.25613977  0.77417447
   0.10523380  0.31081107  0.52496291
   0.33446193  0.48004814  0.84400776
   0.41249938  0.48007765  0.66093609
   0.19046131  0.35186414  0.70627874
   0.28599511  0.21677215 -0.09785252
   0.03118683  0.17514630  0.91272220
   0.07971704  0.56665097  0.07821331
   0.37691273  0.69554709  0.27185677
   0.08376224  0.84465771  0.04215130
   0.36925820  0.95494045  0.34064610
   0.41412787  0.89864436  0.15884717
   0.17110243  0.89099857  0.23005506
   0.34530672  0.67149789  0.46596808
   0.08279214  0.69157317  0.40991584
   0.14502995  0.56444540  0.58502988
   0.29631747  0.73071173  0.79030155
   0.16233501  0.82424162  0.54869110
   0.38666466  0.98816508  0.81712899
   0.43849880  0.91542023  0.63593482
   0.16699285  0.95058050  0.71129216
   0.26864402  0.66691969 -0.02096932
   0.02468185  0.66876740  0.91268623
   0.60919228  0.08516821  0.10386132
   0.81746524  0.20685819  0.27375690
   0.62301214  0.33582893  0.02856184
   0.98870283  0.44793166  0.35836320
   0.01696096  0.34167844  0.18532427
   0.76587777  0.45306225  0.16221174
   0.75893559  0.18814344  0.44934663
   0.51350960  0.11523394  0.43865630
   0.61466571  0.11062191  0.60899176
   0.82423842  0.20596045  0.78664302
   0.56712577  0.35245142  0.54121857
   0.85147266  0.47191129  0.84624340
   0.92087351  0.41942991  0.65496890
   0.67780210  0.43725816  0.70720284
   0.79002495  0.11422993  0.96881411
   0.54450334  0.13436338  0.92711588
   0.56190618  0.57963571  0.08709515
   0.85670646  0.70683508  0.29866954
   0.61019457  0.82317246  0.04323747
   0.83194446  0.96458606  0.34687393
   0.91400378  0.87503808  0.17707637
   0.65559472  0.88365865  0.22858917
   0.82413200  0.59926993  0.47585284
   0.57154560  0.56786791  0.38654927
   0.61002916  0.60578892  0.56553275
   0.84435373  0.72088202  0.79123251
   0.65670606  0.80893624  0.43239422
   0.91967274  0.96347839  0.82197448
   0.92085398  0.86594684  0.65154023
   0.66998364  0.91773198  0.74429976
   0.75541246  0.65073274  0.95897935
   0.50367556  0.66763497  0.91442180
   0.68490701  0.85136384  0.57513494
   0.73121835  0.84984337  0.45880223
   0.85085391  0.26494481  0.08024880
   1.04074906  0.43992901  0.29920419
   0.31625568  0.13054936  0.66110741
   0.20479237  0.68414236  0.78770635
  -0.04098495  1.12403416  0.09824514
   0.23331886  1.07126357  0.03019990
   0.63816450  0.34202064  0.86360090
   0.88021750  0.48016929  0.61030342
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806616    0.272425    0.109957
    -0.000000    9.893253    0.257340
    -0.000000    0.000000   14.116553
   Si   O    H 
    32    64    10
Direct configuration=  1074
   0.16340943  0.19513121 -0.02344224
   0.37304643  0.09904630  0.38437068
   0.12676911  0.41971810  0.12340596
   0.37149340  0.35554910  0.25086382
   0.10165907  0.16633310  0.48251600
   0.40898239  0.13772313  0.85807660
   0.08918435  0.40776756  0.61641896
   0.34913498  0.38548603  0.74815790
   0.11416842  0.68900849  0.00371595
   0.40380900  0.59562765  0.36957702
   0.06132049  0.92480363  0.14451001
   0.33019772  0.86087019  0.25350739
   0.19224281  0.67983192  0.50849452
   0.35028654  0.64055230  0.87912481
   0.07143307  0.92188733  0.61888183
   0.32386678  0.99122098  0.70418255
   0.64280719  0.17247656  1.00719649
   0.85097437  0.12287805  0.36935068
   0.60487481  0.43063019  0.11895552
   0.85674936  0.30220461  0.18459598
   0.61754521  0.19525302  0.50997615
   0.89469519  0.11063604  0.87386947
   0.57390575  0.46450844  0.62248552
   0.76099954  0.36010786  0.79827354
   0.60648892  0.67947806 -0.00044702
   0.94181896  0.61439179  0.38263642
   0.57626129  0.91678006  0.13161635
   0.81109793  0.85607522  0.26607823
   0.65532039  0.64198061  0.45866333
   0.86811025  0.62482776  0.88250902
   0.60665261  0.94504826  0.63788242
   0.83568322  0.87248446  0.74838492
   0.05191445  0.08729124  0.13882973
   0.33766082  0.20772078  0.29443965
   0.14532057  0.32828059  0.03204982
   0.36365554  0.43281465  0.35196420
   0.51709372  0.35759657  0.20295197
   0.26037228  0.43467224  0.19013214
   0.25539354  0.11956709  0.46724967
   0.02635995  0.14475538  0.38361324
   0.02642905  0.06483764  0.56082655
   0.45087375  0.25620247  0.77588476
   0.10646126  0.31037849  0.52454208
   0.33410090  0.47720981  0.84413525
   0.41321637  0.48173521  0.66117440
   0.19072089  0.35249446  0.70566756
   0.28709000  0.21701459 -0.09834561
   0.03134839  0.17426638  0.91207445
   0.07965928  0.56481695  0.07832268
   0.37567232  0.69488009  0.27153831
   0.08346690  0.84353608  0.04251672
   0.36905998  0.95481166  0.34048652
   0.41454133  0.90019534  0.16094199
   0.17158677  0.88973597  0.22975699
   0.34545535  0.67112017  0.46680675
   0.08043400  0.69248260  0.40888496
   0.14545078  0.56615035  0.58370355
   0.29714832  0.72934384  0.79139113
   0.16151359  0.82275659  0.54835324
   0.38705795  0.98722618  0.81742099
   0.43971637  0.91508709  0.63531211
   0.16549436  0.94975025  0.71117473
   0.26842838  0.66790983 -0.01942770
   0.02610068  0.66827424  0.91292350
   0.60966603  0.08398427  0.10504686
   0.81746409  0.20716411  0.27180931
   0.62439335  0.33775314  0.02721564
   0.99006785  0.44810489  0.35886411
   0.01700696  0.34065881  0.18433056
   0.76618526  0.45195276  0.16237200
   0.75925413  0.18819682  0.45036917
   0.51302724  0.11495411  0.43968706
   0.61589693  0.11088882  0.60950963
   0.82550271  0.20641650  0.78733175
   0.56672033  0.35219890  0.53980249
   0.85124938  0.47292000  0.84717699
   0.92013625  0.41904083  0.65475771
   0.67747646  0.43810199  0.70652105
   0.78971795  0.11531961  0.96928097
   0.54422744  0.13497668  0.92642476
   0.56124671  0.57977103  0.08597800
   0.85647039  0.70624706  0.29797600
   0.61127446  0.82371078  0.04409840
   0.83055323  0.96580214  0.34661521
   0.91478622  0.87519904  0.17800856
   0.65545902  0.88451994  0.23005224
   0.82432999  0.59978869  0.47631696
   0.57224196  0.56729831  0.38652491
   0.61019906  0.60832655  0.56643255
   0.84371612  0.72025723  0.78937521
   0.65823212  0.80746835  0.43068080
   0.91896246  0.96440393  0.82127913
   0.92097272  0.86603360  0.65188820
   0.67015991  0.91790720  0.74551403
   0.75510952  0.65156836  0.95761041
   0.50292731  0.66789260  0.91383552
   0.67883819  0.84402371  0.57899294
   0.74297653  0.85522512  0.46184350
   0.85497690  0.26170081  0.08583153
   1.03118068  0.43790728  0.29752990
   0.31935425  0.13156309  0.66576561
   0.20277550  0.68467609  0.78518660
  -0.04302665  1.12965860  0.10115344
   0.22672434  1.07842405  0.02621302
   0.64064123  0.34248837  0.86329345
   0.87233597  0.48528781  0.60927623
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805393    0.268766    0.110287
    -0.000000    9.893411    0.256220
    -0.000000    0.000000   14.119324
   Si   O    H 
    32    64    10
Direct configuration=  1075
   0.16352387  0.19354630 -0.02398264
   0.37262630  0.10003844  0.38484349
   0.12693669  0.41948127  0.12313049
   0.37083901  0.35695433  0.25174510
   0.10043488  0.16682399  0.48230261
   0.40776373  0.13866682  0.85800745
   0.08975311  0.40834547  0.61689909
   0.34886510  0.38633743  0.74844785
   0.11326914  0.68871653  0.00360596
   0.40498673  0.59626060  0.37088135
   0.06203665  0.92467485  0.14472906
   0.33015292  0.86001408  0.25417773
   0.19191096  0.67995986  0.50950107
   0.35129844  0.63983780  0.87943851
   0.07046678  0.92191939  0.61977448
   0.32391382  0.99133860  0.70327048
   0.64475590  0.17171906  1.00802473
   0.85024250  0.12332590  0.36926935
   0.60419613  0.43161353  0.11908227
   0.85649379  0.30240673  0.18389413
   0.61683485  0.19559051  0.50923898
   0.89409996  0.11145776  0.87379345
   0.57313539  0.46587275  0.62337510
   0.76053012  0.36083518  0.79772020
   0.60598978  0.68039828 -0.00051829
   0.94188424  0.61345400  0.38265585
   0.57793125  0.91671548  0.13300612
   0.81092460  0.85682878  0.26504959
   0.65640177  0.64211938  0.45886706
   0.86768169  0.62460367  0.88236280
   0.60610404  0.94431861  0.63729376
   0.83572107  0.87172396  0.74896484
   0.05414912  0.08582894  0.13958719
   0.33657994  0.20768667  0.29482034
   0.14651626  0.32888811  0.03276241
   0.36505098  0.43308448  0.35151900
   0.51719691  0.35940545  0.20302358
   0.25925394  0.43513557  0.18971781
   0.25419884  0.11942799  0.46594933
   0.02604984  0.14656218  0.38472733
   0.02528373  0.06453844  0.56053706
   0.44948820  0.25616652  0.77729460
   0.10710021  0.31112830  0.52424220
   0.33415775  0.47556805  0.84420909
   0.41400514  0.48330392  0.66162788
   0.19094868  0.35292790  0.70511483
   0.28772069  0.21742816 -0.09891302
   0.03120701  0.17357076  0.91127982
   0.08011365  0.56304133  0.07940073
   0.37459740  0.69487210  0.27174522
   0.08319708  0.84326386  0.04257198
   0.36970158  0.95399232  0.34037805
   0.41664811  0.90156166  0.16227871
   0.17135922  0.88855662  0.22950791
   0.34585449  0.67050316  0.46713359
   0.07903764  0.69217764  0.40817061
   0.14484506  0.56774229  0.58257831
   0.29694587  0.72903790  0.79230969
   0.16092470  0.82177967  0.54824478
   0.38761926  0.98633672  0.81794656
   0.44095497  0.91476696  0.63508944
   0.16402763  0.94847272  0.71112943
   0.26928522  0.66893104 -0.01775017
   0.02703634  0.66753688  0.91288670
   0.60952929  0.08317293  0.10605572
   0.81756267  0.20693605  0.27006048
   0.62554225  0.33908641  0.02553183
   0.99043032  0.44929849  0.35976516
   0.01665910  0.33963805  0.18361059
   0.76733660  0.45022634  0.16242621
   0.75914583  0.18825603  0.45142931
   0.51309531  0.11481069  0.44066874
   0.61729904  0.11130248  0.60957820
   0.82621380  0.20698855  0.78810207
   0.56633569  0.35176240  0.53847353
   0.85178451  0.47347394  0.84827792
   0.92069468  0.41837124  0.65368357
   0.67748441  0.43933736  0.70646034
   0.78981636  0.11724159  0.96979783
   0.54378924  0.13520612  0.92534519
   0.56062257  0.57956385  0.08512269
   0.85662722  0.70536594  0.29823704
   0.61280240  0.82371202  0.04484901
   0.82941566  0.96681391  0.34683143
   0.91501901  0.87472254  0.17844277
   0.65522983  0.88509417  0.23185517
   0.82445793  0.59978956  0.47608129
   0.57241052  0.56705522  0.38610268
   0.61003777  0.61030040  0.56782258
   0.84272619  0.71935674  0.78766506
   0.66034164  0.80679425  0.42964263
   0.91770598  0.96563152  0.82037163
   0.92079475  0.86603744  0.65200017
   0.67079916  0.91784691  0.74648660
   0.75564076  0.65282126  0.95684326
   0.50290014  0.66772097  0.91303539
   0.67287518  0.83825082  0.58400306
   0.74516316  0.85496981  0.46181585
   0.85381568  0.25471873  0.09114137
   1.02506819  0.43631967  0.29390233
   0.31748951  0.13669826  0.67007721
   0.20776698  0.69234610  0.78160769
  -0.03306226  1.12525637  0.10853113
   0.22101617  1.08063754  0.02302683
   0.64512050  0.34082533  0.85997969
   0.86670845  0.48873689  0.60959697
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803600    0.265195    0.110968
    -0.000000    9.893403    0.255362
    -0.000000    0.000000   14.121903
   Si   O    H 
    32    64    10
Direct configuration=  1076
   0.16361812  0.19223911 -0.02458005
   0.37164916  0.10115530  0.38525882
   0.12663585  0.41954065  0.12276333
   0.37001658  0.35796896  0.25271836
   0.09899954  0.16753375  0.48244057
   0.40752389  0.13965155  0.85788992
   0.08990723  0.40844539  0.61724335
   0.34764216  0.38738021  0.74856177
   0.11182834  0.68824986  0.00334098
   0.40696200  0.59673678  0.37245384
   0.06284373  0.92425236  0.14470739
   0.33033129  0.85908849  0.25481129
   0.19141639  0.67956295  0.50957803
   0.35234010  0.63846612  0.87988725
   0.06981907  0.92137998  0.62062304
   0.32400568  0.99168124  0.70232196
   0.64654001  0.17074477  1.00867095
   0.85040078  0.12361661  0.36901379
   0.60362883  0.43258667  0.11914762
   0.85629503  0.30280887  0.18336114
   0.61596798  0.19552282  0.50897390
   0.89366244  0.11176602  0.87422032
   0.57227220  0.46793735  0.62358684
   0.75951489  0.36144913  0.79757704
   0.60515328  0.68135935 -0.00067571
   0.94217271  0.61217490  0.38257397
   0.57886098  0.91669432  0.13401757
   0.81108315  0.85783281  0.26389062
   0.65748917  0.64222723  0.45922346
   0.86731475  0.62416996  0.88217008
   0.60559457  0.94356035  0.63680989
   0.83554565  0.87136273  0.75002254
   0.05505505  0.08550423  0.13952183
   0.33577936  0.20755759  0.29537547
   0.14748103  0.32909807  0.03356195
   0.36619068  0.43524662  0.35120357
   0.51808715  0.36130437  0.20275280
   0.25804273  0.43594638  0.18949129
   0.25333822  0.11881104  0.46451275
   0.02521025  0.14877148  0.38502023
   0.02410971  0.06373478  0.56075813
   0.44863114  0.25672265  0.77837927
   0.10708812  0.31206229  0.52416883
   0.33423631  0.47453184  0.84466521
   0.41428493  0.48337028  0.66210975
   0.19120703  0.35368767  0.70443064
   0.28732189  0.21827277 -0.09935409
   0.03091684  0.17187691  0.91077766
   0.08007078  0.56091549  0.08032025
   0.37332804  0.69479480  0.27251001
   0.08321661  0.84334373  0.04247832
   0.37034550  0.95293080  0.34049419
   0.41882776  0.90394372  0.16348222
   0.17074801  0.88801501  0.22911474
   0.34633742  0.66957088  0.46672517
   0.07800490  0.69118130  0.40767047
   0.14436491  0.56874893  0.58189333
   0.29740955  0.72863322  0.79312544
   0.16037485  0.82274844  0.54867140
   0.38755649  0.98624817  0.81797455
   0.44135968  0.91490716  0.63483836
   0.16279448  0.94663253  0.71103243
   0.27037424  0.67021970 -0.01665808
   0.02786389  0.66657991  0.91223027
   0.60983254  0.08135310  0.10697432
   0.81715595  0.20694102  0.26878236
   0.62655637  0.33948421  0.02404539
   0.99064240  0.45127913  0.36054832
   0.01572971  0.33927678  0.18283735
   0.76860749  0.44799278  0.16242332
   0.75927172  0.18727709  0.45258789
   0.51214826  0.11448684  0.44120784
   0.61926376  0.11102913  0.60968180
   0.82694991  0.20693527  0.78871627
   0.56552655  0.35070762  0.53731629
   0.85245548  0.47397347  0.84889555
   0.92148393  0.41837808  0.65237263
   0.67750194  0.44008468  0.70641111
   0.79068813  0.11904725  0.97011746
   0.54355177  0.13505149  0.92422294
   0.55936332  0.57998935  0.08409324
   0.85664041  0.70458416  0.29912808
   0.61387274  0.82447351  0.04589680
   0.82809890  0.96823419  0.34758388
   0.91545642  0.87419694  0.17814976
   0.65507592  0.88506189  0.23375328
   0.82367948  0.60014155  0.47513259
   0.57181319  0.56594458  0.38523638
   0.60948218  0.61095537  0.56943484
   0.84236271  0.71816255  0.78607536
   0.66261098  0.80642349  0.42897849
   0.91639040  0.96694571  0.81948929
   0.92004528  0.86600597  0.65171960
   0.67210256  0.91794536  0.74698268
   0.75547201  0.65356822  0.95637766
   0.50335893  0.66779135  0.91171540
   0.66700055  0.83253508  0.59038963
   0.73916740  0.84854121  0.45823795
   0.85036179  0.24574358  0.09514358
   1.01818006  0.43107810  0.29377850
   0.31304993  0.13764002  0.67382458
   0.21189844  0.69714691  0.77724259
  -0.01698293  1.11555954  0.11665567
   0.21468213  1.07799359  0.02368095
   0.64915671  0.33881249  0.85550472
   0.86508393  0.48677105  0.61558792
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801527    0.261046    0.111503
    -0.000000    9.893269    0.254666
    -0.000000    0.000000   14.124343
   Si   O    H 
    32    64    10
Direct configuration=  1077
   0.16391940  0.19138868 -0.02548108
   0.37044918  0.10229704  0.38531231
   0.12634640  0.41975885  0.12239864
   0.36898789  0.35852296  0.25407368
   0.09751178  0.16795291  0.48235607
   0.40764146  0.13992302  0.85734973
   0.09039984  0.40897999  0.61739788
   0.34674509  0.38885568  0.74868227
   0.11047468  0.68755075  0.00332274
   0.40932671  0.59709010  0.37363018
   0.06289203  0.92388264  0.14499338
   0.33043497  0.85825937  0.25523170
   0.19091660  0.67869276  0.50928745
   0.35356245  0.63738531  0.88011335
   0.06878980  0.92087322  0.62127202
   0.32458130  0.99202175  0.70156508
   0.64726543  0.17001521  1.00920883
   0.85096190  0.12495652  0.36865180
   0.60382608  0.43296493  0.11920021
   0.85563702  0.30388218  0.18304082
   0.61549810  0.19548712  0.50869215
   0.89359116  0.11201411  0.87436216
   0.57066279  0.46987931  0.62359310
   0.75881519  0.36229232  0.79720117
   0.60464888  0.68274483 -0.00091703
   0.94228237  0.61100820  0.38280779
   0.57942833  0.91696880  0.13517483
   0.81068838  0.85864399  0.26282166
   0.65942038  0.64237983  0.45981506
   0.86718169  0.62411280  0.88131863
   0.60463789  0.94377550  0.63684225
   0.83524616  0.87127154  0.75135313
   0.05856679  0.08443931  0.14014600
   0.33549522  0.20754576  0.29614431
   0.14880697  0.32837061  0.03397347
   0.36720193  0.43814955  0.35198338
   0.51924159  0.36248500  0.20271417
   0.25656040  0.43672559  0.18843482
   0.25285979  0.11778759  0.46340098
   0.02371113  0.15056546  0.38551850
   0.02340956  0.06318093  0.56118864
   0.44799299  0.25730496  0.77956863
   0.10796027  0.31338548  0.52494537
   0.33437360  0.47464878  0.84517343
   0.41440696  0.48305239  0.66269213
   0.19124169  0.35460389  0.70428144
   0.28583374  0.21922965 -0.09899360
   0.03062606  0.17116128  0.91033358
   0.07980883  0.55981522  0.08102297
   0.37117515  0.69498378  0.27381500
   0.08263919  0.84356799  0.04237079
   0.37059051  0.95221919  0.34050198
   0.42096363  0.90604867  0.16457509
   0.17017638  0.88867092  0.22919730
   0.34660363  0.66797758  0.46639449
   0.07739365  0.68933948  0.40783342
   0.14382016  0.56957250  0.58135161
   0.29834679  0.72888666  0.79336554
   0.15976118  0.82439989  0.54979872
   0.38743497  0.98569511  0.81794214
   0.44195032  0.91545032  0.63519711
   0.16202961  0.94515112  0.71041658
   0.27134485  0.67134450 -0.01580507
   0.02846030  0.66541907  0.91131399
   0.61007796  0.07977353  0.10760652
   0.81731869  0.20723113  0.26760888
   0.62776786  0.33946793  0.02277870
   0.98982525  0.45352135  0.36085605
   0.01519520  0.33917247  0.18288249
   0.76953461  0.44649317  0.16258369
   0.75897122  0.18600253  0.45343041
   0.51267225  0.11365656  0.44174746
   0.62117551  0.10945024  0.61037993
   0.82751608  0.20705263  0.78944397
   0.56553807  0.34988971  0.53621404
   0.85269585  0.47394361  0.84948884
   0.92247211  0.41905616  0.65099775
   0.67803259  0.43985490  0.70610628
   0.79222003  0.12079169  0.97056916
   0.54328397  0.13488443  0.92298339
   0.55873879  0.58041185  0.08370740
   0.85749675  0.70399575  0.29989119
   0.61468878  0.82558153  0.04687007
   0.82748715  0.96971491  0.34877336
   0.91567450  0.87364979  0.17815761
   0.65628066  0.88392150  0.23505622
   0.82371438  0.59987735  0.47376225
   0.57169246  0.56450798  0.38486699
   0.60869960  0.61153535  0.57061366
   0.84218336  0.71579833  0.78459206
   0.66367958  0.80576331  0.42820110
   0.91556927  0.96910278  0.81838334
   0.91915515  0.86606002  0.65162210
   0.67367595  0.91822181  0.74697168
   0.75514549  0.65425936  0.95657616
   0.50309508  0.66737346  0.91105185
   0.66396443  0.82605472  0.59534740
   0.73339952  0.84212080  0.45404561
   0.84701351  0.23215962  0.09672824
   1.00685612  0.42675848  0.29630120
   0.30813084  0.13651855  0.67785750
   0.20483674  0.69693028  0.77000588
  -0.03990786  1.12283060  0.11165124
   0.21014658  1.07080274  0.02595503
   0.64660116  0.33849270  0.85425815
   0.86637055  0.48144113  0.62279374
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.799165    0.256833    0.111432
    -0.000000    9.893300    0.254117
    -0.000000    0.000000   14.126818
   Si   O    H 
    32    64    10
Direct configuration=  1078
   0.16463001  0.19042620 -0.02585442
   0.36851072  0.10368558  0.38486651
   0.12591986  0.41956967  0.12226399
   0.36822918  0.35949434  0.25527755
   0.09656314  0.16787052  0.48196311
   0.40807370  0.14016057  0.85677532
   0.09080017  0.40937376  0.61727034
   0.34607056  0.39001802  0.74900807
   0.10925040  0.68747766  0.00323383
   0.41120166  0.59736566  0.37437894
   0.06275200  0.92296431  0.14475884
   0.33132226  0.85732380  0.25578518
   0.18956934  0.67812368  0.50784172
   0.35417672  0.63565770  0.88045728
   0.06853064  0.92013858  0.62168730
   0.32531852  0.99263107  0.70085140
   0.64710985  0.16894770  1.01011086
   0.85135120  0.12628879  0.36864197
   0.60420784  0.43306702  0.11944218
   0.85492506  0.30509939  0.18239208
   0.61506287  0.19590369  0.50894936
   0.89293809  0.11212540  0.87449662
   0.56896271  0.47118227  0.62381694
   0.75852302  0.36298394  0.79660118
   0.60455998  0.68381064 -0.00132636
   0.94242949  0.60998002  0.38344273
   0.57967518  0.91781557  0.13607224
   0.81035562  0.85903089  0.26187502
   0.66148886  0.64325146  0.46040242
   0.86776694  0.62422254  0.88043000
   0.60371182  0.94403152  0.63717041
   0.83458338  0.87156180  0.75282491
   0.06037258  0.08434603  0.14037288
   0.33509770  0.20711743  0.29630609
   0.15006194  0.32700375  0.03412514
   0.36798005  0.44124042  0.35236944
   0.52052666  0.36334314  0.20226768
   0.25508541  0.43735495  0.18779489
   0.25281878  0.11704616  0.46280601
   0.02167586  0.15187063  0.38605924
   0.02353076  0.06257209  0.56171209
   0.44708972  0.25902076  0.78064985
   0.10876009  0.31504756  0.52593488
   0.33395419  0.47516700  0.84589924
   0.41389178  0.48240933  0.66291435
   0.19158921  0.35506421  0.70447617
   0.28408172  0.21949306 -0.09830118
   0.03083794  0.17072061  0.90973804
   0.07873779  0.55944399  0.08120182
   0.36913036  0.69541997  0.27551580
   0.08213527  0.84370753  0.04225915
   0.37017930  0.95203136  0.34077445
   0.42331362  0.90848165  0.16567923
   0.17089503  0.88858031  0.22890418
   0.34737610  0.66627013  0.46573454
   0.07748378  0.68761138  0.40870309
   0.14274789  0.56827768  0.58142118
   0.29810581  0.72918149  0.79359498
   0.15874841  0.82604462  0.55111122
   0.38737793  0.98535750  0.81751623
   0.44207297  0.91593672  0.63541891
   0.16115706  0.94480519  0.71014282
   0.27217095  0.67204799 -0.01559374
   0.02812249  0.66384521  0.91022617
   0.61089012  0.07817335  0.10844502
   0.81682557  0.20750282  0.26682585
   0.62897813  0.33929973  0.02169112
   0.98799044  0.45606242  0.36086090
   0.01504529  0.33869663  0.18302158
   0.77021297  0.44536414  0.16299446
   0.75876840  0.18541231  0.45390381
   0.51334771  0.11279930  0.44282810
   0.62318670  0.10744922  0.61026333
   0.82781354  0.20778947  0.79011858
   0.56571299  0.34942782  0.53523597
   0.85237258  0.47324109  0.84959867
   0.92572721  0.41881704  0.65006622
   0.67806057  0.43927027  0.70579304
   0.79365000  0.12117621  0.97094255
   0.54257814  0.13475796  0.92161068
   0.55724033  0.58083883  0.08290976
   0.85817467  0.70346574  0.30060009
   0.61569329  0.82676132  0.04735922
   0.82751482  0.97112729  0.34979763
   0.91669836  0.87363785  0.17745731
   0.65661117  0.88276981  0.23660437
   0.82346773  0.59955826  0.47195719
   0.57131224  0.56370043  0.38436970
   0.60732711  0.61149832  0.57107163
   0.84149933  0.71370131  0.78317249
   0.66310974  0.80411209  0.42745699
   0.91507186  0.97106296  0.81726243
   0.91845083  0.86632350  0.65090762
   0.67465098  0.91792272  0.74736999
   0.75536052  0.65547137  0.95740018
   0.50294098  0.66660068  0.91020360
   0.66669835  0.82130170  0.59541556
   0.74814387  0.84834739  0.45760002
   0.84390846  0.21650727  0.09683840
   0.99791467  0.42099214  0.29868268
   0.30559926  0.13496303  0.67923118
   0.20926649  0.70244961  0.76388780
  -0.04700523  1.12504631  0.10808814
   0.20693372  1.05983907  0.02904158
   0.64272307  0.33483141  0.85506294
   0.85693138  0.49281446  0.62482341
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796939    0.252787    0.111003
    -0.000000    9.892862    0.253924
    -0.000000    0.000000   14.128865
   Si   O    H 
    32    64    10
Direct configuration=  1079
   0.16532632  0.18933318 -0.02602994
   0.36657918  0.10469090  0.38436735
   0.12567711  0.41909116  0.12196878
   0.36732751  0.36044807  0.25627199
   0.09644511  0.16737099  0.48192373
   0.40934475  0.14060261  0.85605167
   0.09093797  0.40980274  0.61751866
   0.34546547  0.39068096  0.74954780
   0.10816577  0.68705746  0.00319036
   0.41303446  0.59735128  0.37493565
   0.06324359  0.92142103  0.14474460
   0.33199815  0.85683982  0.25609961
   0.18837098  0.67735656  0.50639610
   0.35418747  0.63425745  0.88058673
   0.06779869  0.92030379  0.62172315
   0.32589262  0.99305016  0.70028628
   0.64650837  0.16825072  1.01093387
   0.85094074  0.12759478  0.36854488
   0.60537060  0.43339671  0.11937035
   0.85447971  0.30648151  0.18170823
   0.61441970  0.19622119  0.50953592
   0.89305687  0.11232537  0.87402563
   0.56732583  0.47230432  0.62388530
   0.75838647  0.36338091  0.79557185
   0.60359968  0.68454952 -0.00177698
   0.94266148  0.60864749  0.38390151
   0.57985501  0.91861087  0.13736308
   0.80906258  0.85914551  0.26124500
   0.66361166  0.64452979  0.46105189
   0.86872235  0.62453201  0.87905295
   0.60316463  0.94446401  0.63726819
   0.83401864  0.87154164  0.75445949
   0.06158784  0.08496467  0.14034071
   0.33481095  0.20692748  0.29608107
   0.15120144  0.32593707  0.03376311
   0.36915756  0.44516211  0.35238892
   0.52051903  0.36365350  0.20232739
   0.25445445  0.43801194  0.18726167
   0.25300893  0.11582487  0.46163722
   0.01847886  0.15317104  0.38582424
   0.02403307  0.06161970  0.56211487
   0.44551744  0.26089100  0.78147635
   0.10854806  0.31704234  0.52729588
   0.33424812  0.47600775  0.84658284
   0.41310062  0.48103055  0.66342338
   0.19291441  0.35599376  0.70503315
   0.28213377  0.21942369 -0.09746042
   0.03145809  0.17048810  0.90948884
   0.07733501  0.55966552  0.08152956
   0.36625868  0.69585618  0.27715351
   0.08286473  0.84356121  0.04218883
   0.37114552  0.95120676  0.34116066
   0.42574885  0.91099805  0.16671092
   0.17100548  0.88823781  0.22826430
   0.34769705  0.66473728  0.46511950
   0.07697106  0.68576221  0.41007935
   0.14092599  0.56584298  0.58123193
   0.29635439  0.72905752  0.79401224
   0.15722667  0.82697770  0.55302424
   0.38762409  0.98514305  0.81763863
   0.44243760  0.91689840  0.63572440
   0.16121330  0.94422233  0.71007128
   0.27277992  0.67270454 -0.01518203
   0.02739639  0.66280987  0.90836959
   0.61152925  0.07665771  0.10884839
   0.81580393  0.20717954  0.26635019
   0.62968686  0.33858743  0.02124176
   0.98623580  0.45870777  0.36139854
   0.01430950  0.33891288  0.18317775
   0.76936007  0.44471805  0.16373195
   0.75879170  0.18460810  0.45417371
   0.51357339  0.11209230  0.44376286
   0.62518404  0.10539569  0.61027976
   0.82783331  0.20857443  0.79093591
   0.56612139  0.34910140  0.53457157
   0.85210907  0.47202802  0.84951783
   0.92852771  0.41859178  0.64896308
   0.67915038  0.43832879  0.70562347
   0.79493430  0.12114843  0.97060125
   0.54170941  0.13453149  0.92040036
   0.55595750  0.58124350  0.08171605
   0.85899794  0.70291869  0.30149898
   0.61667325  0.82742682  0.04782356
   0.82720905  0.97253414  0.35070454
   0.91677232  0.87384798  0.17583402
   0.65564024  0.88181938  0.23809133
   0.82364842  0.59971051  0.47016606
   0.57046903  0.56339536  0.38383409
   0.60651685  0.61200868  0.57138784
   0.84056735  0.71166867  0.78206255
   0.66326624  0.80336611  0.42704250
   0.91563334  0.97252826  0.81675925
   0.91746367  0.86645836  0.65072604
   0.67552675  0.91769108  0.74741217
   0.75626857  0.65668859  0.95865594
   0.50272999  0.66592503  0.90941605
   0.67097943  0.82431570  0.59237309
   0.75317250  0.84790764  0.45953198
   0.84403621  0.20071471  0.09730130
   0.99424270  0.41177812  0.29777978
   0.30443158  0.13418573  0.67953596
   0.22066878  0.70732101  0.76040522
  -0.04768027  1.12655131  0.10821958
   0.20582402  1.05123132  0.02867102
   0.63618907  0.33208412  0.85647492
   0.85809029  0.49411825  0.62548505
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794486    0.249046    0.110601
    -0.000000    9.892807    0.253922
    -0.000000    0.000000   14.130417
   Si   O    H 
    32    64    10
Direct configuration=  1080
   0.16516379  0.18834194 -0.02599353
   0.36532470  0.10495115  0.38383191
   0.12561270  0.41844524  0.12169971
   0.36686328  0.36053838  0.25697474
   0.09668527  0.16619474  0.48168117
   0.41051738  0.14056482  0.85539239
   0.09081541  0.41064728  0.61794428
   0.34471962  0.39144462  0.74990058
   0.10712192  0.68668081  0.00369879
   0.41407311  0.59689484  0.37504185
   0.06412846  0.91985478  0.14492280
   0.33221833  0.85662692  0.25590822
   0.18747843  0.67685637  0.50486122
   0.35437415  0.63258988  0.88077284
   0.06702746  0.92059204  0.62160719
   0.32566688  0.99331441  0.69991038
   0.64616987  0.16782310  1.01099453
   0.85095681  0.12853554  0.36775142
   0.60641982  0.43381334  0.11890506
   0.85380849  0.30739662  0.18069061
   0.61412642  0.19689788  0.51032681
   0.89346495  0.11204013  0.87391931
   0.56589893  0.47317747  0.62364000
   0.75769928  0.36295767  0.79441836
   0.60311027  0.68527407 -0.00206825
   0.94300188  0.60746286  0.38414424
   0.58085160  0.91921062  0.13850844
   0.80878577  0.85912950  0.26090247
   0.66481310  0.64579800  0.46198560
   0.86956810  0.62438697  0.87793051
   0.60294424  0.94471146  0.63761230
   0.83333291  0.87154367  0.75577748
   0.06092708  0.08586536  0.14031479
   0.33518803  0.20713892  0.29558471
   0.15160624  0.32485992  0.03368974
   0.36945258  0.44892397  0.35268913
   0.51923902  0.36362800  0.20299810
   0.25308576  0.43949180  0.18687162
   0.25267372  0.11471393  0.46157955
   0.01435583  0.15452186  0.38502671
   0.02464850  0.06052378  0.56250912
   0.44467618  0.26292663  0.78163912
   0.10839494  0.31912440  0.52838234
   0.33467875  0.47743547  0.84747714
   0.41196462  0.47962966  0.66443610
   0.19371875  0.35671482  0.70585031
   0.28135443  0.21951308 -0.09694306
   0.03248477  0.17095038  0.90937895
   0.07586090  0.56064790  0.08143708
   0.36380428  0.69676390  0.27857723
   0.08353288  0.84389181  0.04191462
   0.37187745  0.95085212  0.34158172
   0.42752855  0.91287461  0.16759698
   0.17189009  0.88742817  0.22800729
   0.34772178  0.66329959  0.46476369
   0.07662826  0.68388503  0.41209019
   0.13964185  0.56354490  0.58110297
   0.29531336  0.72880799  0.79494006
   0.15625870  0.82675082  0.55497350
   0.38817207  0.98608182  0.81750677
   0.44246471  0.91756643  0.63566983
   0.16179667  0.94383822  0.70978587
   0.27333287  0.67287062 -0.01534619
   0.02532923  0.66148126  0.90625587
   0.61245592  0.07504967  0.10962807
   0.81553266  0.20735487  0.26572729
   0.62966168  0.33740917  0.02084336
   0.98536027  0.45971719  0.36207312
   0.01308617  0.33886718  0.18348888
   0.76768474  0.44430878  0.16455007
   0.75887857  0.18371456  0.45422836
   0.51253046  0.11127896  0.44473899
   0.62745066  0.10371227  0.60987168
   0.82770000  0.21039075  0.79162919
   0.56641645  0.34878130  0.53417733
   0.85192763  0.47124848  0.84970116
   0.93081278  0.41909980  0.64820869
   0.67988808  0.43718481  0.70539606
   0.79561059  0.12117925  0.97041332
   0.54189893  0.13408916  0.91962395
   0.55471848  0.58185424  0.08080506
   0.85975460  0.70166557  0.30231983
   0.61757337  0.82794060  0.04834443
   0.82657447  0.97350146  0.35138128
   0.91577518  0.87393094  0.17392681
   0.65489520  0.88046145  0.23935511
   0.82523460  0.59937396  0.46853799
   0.57077373  0.56314971  0.38401914
   0.60600310  0.61260144  0.57153437
   0.83943155  0.70952186  0.78090162
   0.66434793  0.80383017  0.42671914
   0.91659262  0.97417384  0.81659694
   0.91671325  0.86595401  0.65095497
   0.67606250  0.91767635  0.74748950
   0.75641596  0.65799029  0.95953444
   0.50224213  0.66533391  0.90871729
   0.67239534  0.83002781  0.58902107
   0.74351094  0.84394280  0.45724871
   0.85001299  0.18826522  0.10060373
   0.99250988  0.40432086  0.30219433
   0.30572816  0.13666913  0.68040492
   0.22362098  0.71028191  0.75340755
  -0.03908235  1.12598814  0.11042348
   0.20570781  1.04809924  0.02516387
   0.63435488  0.33239473  0.85694486
   0.86729228  0.48733748  0.62605724
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791717    0.245048    0.110080
    -0.000000    9.892484    0.254013
    -0.000000    0.000000   14.132012
   Si   O    H 
    32    64    10
Direct configuration=  1081
   0.16484677  0.18702392 -0.02561303
   0.36458597  0.10478794  0.38356827
   0.12507789  0.41776894  0.12170057
   0.36689979  0.36116232  0.25749168
   0.09710233  0.16505814  0.48203766
   0.41133373  0.14019951  0.85479017
   0.09048037  0.41153181  0.61825101
   0.34416495  0.39212408  0.75042416
   0.10638749  0.68611469  0.00429315
   0.41481107  0.59612367  0.37444252
   0.06412811  0.91815166  0.14495543
   0.33244247  0.85653300  0.25567614
   0.18584027  0.67653268  0.50350699
   0.35409880  0.63171301  0.88099961
   0.06631850  0.92078537  0.62134329
   0.32539272  0.99359895  0.69972483
   0.64572433  0.16768058  1.01129443
   0.85139965  0.12929459  0.36683754
   0.60849132  0.43428148  0.11843544
   0.85377747  0.30788267  0.17940645
   0.61393980  0.19727740  0.51079514
   0.89377776  0.11248806  0.87379475
   0.56499515  0.47374333  0.62337560
   0.75617941  0.36283235  0.79363193
   0.60271798  0.68625012 -0.00286136
   0.94341984  0.60633555  0.38486489
   0.58131832  0.91979872  0.13955606
   0.80904652  0.85928636  0.26099255
   0.66568034  0.64668247  0.46253569
   0.87024383  0.62395144  0.87684835
   0.60326116  0.94476034  0.63804919
   0.83270483  0.87176677  0.75663560
   0.06017848  0.08688892  0.14023816
   0.33478894  0.20714409  0.29538632
   0.15166679  0.32316964  0.03350957
   0.36898181  0.45201007  0.35248247
   0.51816846  0.36348013  0.20376698
   0.25283880  0.44121102  0.18677800
   0.25160046  0.11330421  0.46200249
   0.00985953  0.15653109  0.38443010
   0.02612111  0.05909826  0.56339729
   0.44406734  0.26503926  0.78149950
   0.10811718  0.32114068  0.52922483
   0.33549800  0.47805444  0.84826805
   0.41063712  0.47893210  0.66507910
   0.19444597  0.35720777  0.70638706
   0.28133312  0.21952349 -0.09650332
   0.03354100  0.17136000  0.90962245
   0.07456048  0.56247953  0.08100806
   0.36214567  0.69653426  0.27993957
   0.08298221  0.84333705  0.04120385
   0.37176554  0.95139691  0.34240362
   0.42825867  0.91466220  0.16852652
   0.17211821  0.88635947  0.22809553
   0.34674028  0.66252893  0.46457760
   0.07661866  0.68159039  0.41422952
   0.13893833  0.56152561  0.58103044
   0.29408288  0.72902798  0.79635439
   0.15527194  0.82658295  0.55631241
   0.38851597  0.98705330  0.81693222
   0.44265751  0.91814175  0.63551470
   0.16307571  0.94392580  0.70945388
   0.27376698  0.67333591 -0.01597758
   0.02287253  0.65947674  0.90447813
   0.61374143  0.07321275  0.11027456
   0.81514322  0.20695119  0.26595628
   0.62973062  0.33601078  0.02174160
   0.98491677  0.45895270  0.36270626
   0.01216219  0.33892781  0.18358708
   0.76584870  0.44363623  0.16496422
   0.75876735  0.18290859  0.45447006
   0.51133783  0.11087519  0.44578550
   0.63034228  0.10214294  0.60910906
   0.82685298  0.21249982  0.79236224
   0.56721714  0.34842873  0.53452434
   0.85234296  0.47059118  0.84972501
   0.93369639  0.41893266  0.64754463
   0.68020527  0.43620779  0.70486259
   0.79660230  0.12224917  0.97010294
   0.54270826  0.13387885  0.91877184
   0.55357940  0.58275325  0.08016875
   0.86013554  0.70168873  0.30293969
   0.61950133  0.82775856  0.04917315
   0.82633642  0.97356468  0.35136554
   0.91491810  0.87451950  0.17251469
   0.65429739  0.87897014  0.23985685
   0.82716349  0.59806698  0.46786453
   0.57229939  0.56247325  0.38420383
   0.60546434  0.61367892  0.57135921
   0.83836113  0.70777052  0.77983036
   0.66567982  0.80444300  0.42642631
   0.91780589  0.97572422  0.81697436
   0.91613378  0.86504635  0.65136115
   0.67632083  0.91771121  0.74762948
   0.75629971  0.65871949  0.96086055
   0.50267464  0.66468773  0.90846828
   0.67007268  0.83931512  0.58937368
   0.73385128  0.84074652  0.45651684
   0.85371531  0.18327131  0.10665164
   0.99162945  0.40260528  0.31017763
   0.30894325  0.13835882  0.68149849
   0.22370488  0.71228123  0.74408886
  -0.02927831  1.12359224  0.11648506
   0.20735050  1.05236093  0.01940318
   0.63348086  0.33310803  0.85510028
   0.87560414  0.48584962  0.62722869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789179    0.241482    0.109772
    -0.000000    9.892266    0.253988
    -0.000000    0.000000   14.133296
   Si   O    H 
    32    64    10
Direct configuration=  1082
   0.16486188  0.18541742 -0.02512622
   0.36467940  0.10424619  0.38319509
   0.12470455  0.41728275  0.12158443
   0.36645036  0.36229338  0.25807643
   0.09734921  0.16458964  0.48244473
   0.41120163  0.13976737  0.85416811
   0.09070670  0.41218874  0.61885552
   0.34412499  0.39282177  0.75125302
   0.10557690  0.68471019  0.00476241
   0.41509485  0.59608126  0.37340351
   0.06395492  0.91672101  0.14506148
   0.33235772  0.85668387  0.25572232
   0.18459671  0.67608525  0.50284839
   0.35344199  0.63058286  0.88154501
   0.06546447  0.92036553  0.62103154
   0.32516116  0.99423029  0.70017499
   0.64440570  0.16761675  1.01128853
   0.85156716  0.13033332  0.36610221
   0.61039484  0.43497608  0.11793593
   0.85369481  0.30817605  0.17799506
   0.61337480  0.19738548  0.51140398
   0.89401395  0.11333700  0.87395061
   0.56437248  0.47426615  0.62329807
   0.75519658  0.36248767  0.79363216
   0.60142524  0.68717358 -0.00353341
   0.94327911  0.60560086  0.38513941
   0.58182865  0.91985859  0.14026550
   0.80957866  0.85884103  0.26187298
   0.66553987  0.64730340  0.46282640
   0.87071534  0.62391523  0.87572166
   0.60358701  0.94462087  0.63867574
   0.83231852  0.87194089  0.75699099
   0.05909502  0.08806792  0.14013215
   0.33373360  0.20739829  0.29526260
   0.15216548  0.32204647  0.03414857
   0.36846183  0.45414511  0.35156191
   0.51732278  0.36353799  0.20405614
   0.25297312  0.44265458  0.18688112
   0.25043698  0.11232906  0.46235026
   0.00669324  0.15785396  0.38322568
   0.02812821  0.05814308  0.56391083
   0.44389873  0.26751131  0.78053845
   0.10739923  0.32228373  0.52967704
   0.33624184  0.47899287  0.84821567
   0.41065591  0.47924973  0.66534980
   0.19477333  0.35755172  0.70722767
   0.28184040  0.21943088 -0.09657987
   0.03375362  0.17184954  0.90955260
   0.07287332  0.56498952  0.08007661
   0.36046354  0.69681134  0.28155352
   0.08271826  0.84237822  0.04029214
   0.37239931  0.95143181  0.34298548
   0.42814732  0.91688611  0.16862433
   0.17307934  0.88570252  0.22785050
   0.34554152  0.66246748  0.46458140
   0.07693637  0.67896852  0.41661683
   0.13764829  0.55910979  0.58110178
   0.29249834  0.72941328  0.79744536
   0.15557250  0.82550370  0.55738144
   0.38805046  0.98813713  0.81660461
   0.44248622  0.91869942  0.63510595
   0.16437837  0.94449711  0.70933559
   0.27414554  0.67412966 -0.01688402
   0.02020358  0.65875028  0.90319920
   0.61594811  0.07235031  0.11073228
   0.81470873  0.20666152  0.26648662
   0.62999609  0.33412539  0.02235034
   0.98444798  0.45745455  0.36282872
   0.00987654  0.33949485  0.18374330
   0.76392616  0.44308468  0.16551752
   0.75856257  0.18206441  0.45517520
   0.51048462  0.10981369  0.44616765
   0.63285679  0.10139108  0.60824674
   0.82648897  0.21393018  0.79367413
   0.56708347  0.34798860  0.53561786
   0.85337505  0.47013681  0.84973406
   0.93610128  0.41717996  0.64691202
   0.67998827  0.43498052  0.70350210
   0.79772087  0.12313247  0.96948739
   0.54311149  0.13254109  0.91874598
   0.55197781  0.58294756  0.07928731
   0.86126380  0.70171581  0.30364390
   0.62149205  0.82791568  0.04986802
   0.82675596  0.97252850  0.35064053
   0.91298345  0.87517278  0.17090587
   0.65344216  0.87762339  0.23946848
   0.82848091  0.59740347  0.46725850
   0.57434748  0.56184427  0.38414288
   0.60489939  0.61409887  0.57115936
   0.83762667  0.70628156  0.77886220
   0.66533048  0.80477132  0.42557826
   0.91825026  0.97696344  0.81722003
   0.91477836  0.86549410  0.65200769
   0.67632404  0.91795642  0.74758083
   0.75683241  0.65961814  0.96220522
   0.50398071  0.66422244  0.90873210
   0.67395759  0.84646130  0.58935362
   0.74452673  0.85422575  0.46502137
   0.85648259  0.18699258  0.11249912
   0.99461918  0.39772307  0.31348666
   0.31087399  0.13993475  0.68277473
   0.22851937  0.71886852  0.74327341
  -0.02356097  1.12188380  0.12330296
   0.21310727  1.06326372  0.01239570
   0.63387242  0.33550484  0.85353996
   0.87223258  0.49567059  0.62258119
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.786338    0.237996    0.109601
    -0.000000    9.891569    0.252946
    -0.000000    0.000000   14.134451
   Si   O    H 
    32    64    10
Direct configuration=  1083
   0.16498226  0.18431738 -0.02512760
   0.36500763  0.10292081  0.38340877
   0.12438319  0.41693515  0.12146636
   0.36607925  0.36296775  0.25842433
   0.09661296  0.16401628  0.48293683
   0.41089699  0.13911398  0.85380899
   0.09144591  0.41279336  0.61945675
   0.34437150  0.39388752  0.75219791
   0.10466073  0.68363678  0.00528220
   0.41535990  0.59642518  0.37213622
   0.06383111  0.91595530  0.14485397
   0.33217405  0.85716347  0.25585819
   0.18303669  0.67581975  0.50226712
   0.35239836  0.62939506  0.88205601
   0.06500513  0.91975700  0.62083819
   0.32557159  0.99442687  0.70098049
   0.64303682  0.16752629  1.01112794
   0.85117706  0.13158940  0.36511166
   0.61235044  0.43511818  0.11719417
   0.85320355  0.30830269  0.17671195
   0.61345614  0.19668219  0.51221678
   0.89442019  0.11388021  0.87392035
   0.56430074  0.47401780  0.62309234
   0.75477340  0.36239183  0.79411424
   0.60004500  0.68808601 -0.00416536
   0.94271483  0.60515523  0.38561289
   0.58254163  0.91947735  0.14064540
   0.81050983  0.85853226  0.26292596
   0.66524055  0.64718469  0.46281532
   0.87065755  0.62429920  0.87432221
   0.60365315  0.94463746  0.63956968
   0.83234148  0.87183755  0.75724320
   0.05896815  0.08815777  0.14022108
   0.33362209  0.20764960  0.29508313
   0.15278672  0.32125403  0.03493701
   0.36734310  0.45440213  0.35056528
   0.51625380  0.36366160  0.20434890
   0.25395946  0.44461330  0.18764995
   0.24796871  0.11132070  0.46242994
   0.00413410  0.15909045  0.38197504
   0.02997427  0.05870293  0.56393882
   0.44382673  0.26924714  0.77984062
   0.10702941  0.32260189  0.52914944
   0.33704467  0.47986645  0.84775351
   0.41055014  0.47966399  0.66585942
   0.19449928  0.35859606  0.70764891
   0.28300598  0.21985652 -0.09694507
   0.03336301  0.17215750  0.90860264
   0.07101376  0.56762477  0.07918135
   0.35937222  0.69699759  0.28286954
   0.08303743  0.84137031  0.03924508
   0.37333112  0.95176435  0.34348493
   0.42736310  0.91894310  0.16850251
   0.17329285  0.88481682  0.22791190
   0.34445769  0.66204303  0.46514635
   0.07740589  0.67717098  0.41882338
   0.13603652  0.55798098  0.58067636
   0.29067638  0.73009836  0.79845064
   0.15619559  0.82441096  0.55863330
   0.38660171  0.98887257  0.81639577
   0.44189841  0.91903819  0.63477906
   0.16605425  0.94590893  0.70958357
   0.27353437  0.67451263 -0.01784919
   0.01810320  0.65818801  0.90219813
   0.61753531  0.07234429  0.11117016
   0.81387186  0.20667219  0.26712164
   0.62918088  0.33214345  0.02300894
   0.98430091  0.45565717  0.36381590
   0.00864447  0.34056340  0.18383405
   0.76189469  0.44282173  0.16598421
   0.75871970  0.18131348  0.45566677
   0.50891426  0.10872674  0.44641368
   0.63515438  0.10091382  0.60720773
   0.82709082  0.21488430  0.79516267
   0.56714521  0.34812583  0.53673483
   0.85460252  0.47004527  0.84940820
   0.93699462  0.41613155  0.64683691
   0.67900673  0.43466847  0.70218956
   0.79936742  0.12370521  0.96918273
   0.54397028  0.13137662  0.91873036
   0.55072768  0.58281394  0.07889103
   0.86280387  0.70260350  0.30460703
   0.62337651  0.82726269  0.05081835
   0.82756360  0.97141052  0.34999365
   0.91092211  0.87644052  0.16978050
   0.65327797  0.87562618  0.23935343
   0.82975130  0.59674309  0.46675241
   0.57721037  0.56132320  0.38458793
   0.60474516  0.61430678  0.57099161
   0.83716775  0.70397423  0.77886904
   0.66583440  0.80524311  0.42533126
   0.91875853  0.97648512  0.81755895
   0.91318920  0.86633936  0.65337088
   0.67623229  0.91807249  0.74725583
   0.75771462  0.65951598  0.96297267
   0.50595734  0.66482759  0.90846709
   0.68068320  0.84996295  0.58704229
   0.74063353  0.86192128  0.46547408
   0.85686232  0.19446919  0.11834764
   0.99732957  0.38862285  0.31115983
   0.31237698  0.14258937  0.68044330
   0.23605520  0.72315415  0.74986519
  -0.03411199  1.12707590  0.12681479
   0.22193199  1.06595005  0.00645622
   0.63794458  0.33718916  0.85518603
   0.87705577  0.49716710  0.62029781
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.783945    0.234440    0.109673
    -0.000000    9.891427    0.252104
    -0.000000    0.000000   14.135611
   Si   O    H 
    32    64    10
Direct configuration=  1084
   0.16524755  0.18380437 -0.02509312
   0.36552745  0.10162864  0.38389183
   0.12426890  0.41648409  0.12143563
   0.36584868  0.36362499  0.25861749
   0.09557548  0.16355491  0.48370376
   0.41053986  0.13904837  0.85356311
   0.09247638  0.41307989  0.62001242
   0.34493436  0.39470962  0.75210056
   0.10402459  0.68308784  0.00563773
   0.41587735  0.59691204  0.37143274
   0.06339778  0.91543622  0.14488216
   0.33286598  0.85779746  0.25617705
   0.18147086  0.67564528  0.50202715
   0.35126274  0.62826189  0.88231157
   0.06431776  0.91912621  0.62077611
   0.32584517  0.99470012  0.70198383
   0.64128738  0.16736834  1.01090172
   0.85032343  0.13253382  0.36377934
   0.61409224  0.43546067  0.11625292
   0.85298726  0.30785042  0.17550995
   0.61399508  0.19651355  0.51328216
   0.89456103  0.11473680  0.87406421
   0.56365576  0.47376308  0.62270977
   0.75426648  0.36246865  0.79448874
   0.59901984  0.68879909 -0.00445798
   0.94162957  0.60490304  0.38576297
   0.58326917  0.91900198  0.14036048
   0.81245351  0.85836500  0.26407306
   0.66537537  0.64700577  0.46287917
   0.87075122  0.62422189  0.87331792
   0.60396408  0.94510844  0.64092433
   0.83182941  0.87156553  0.75721236
   0.05993180  0.08737693  0.14049355
   0.33310868  0.20825769  0.29424679
   0.15366709  0.32025728  0.03566462
   0.36568523  0.45378479  0.34992570
   0.51531344  0.36383392  0.20461317
   0.25484229  0.44679817  0.18800842
   0.24596288  0.11093776  0.46261914
   0.00277212  0.16098135  0.38153830
   0.03145307  0.05992538  0.56378052
   0.44433304  0.26981657  0.77982541
   0.10657190  0.32142729  0.52834032
   0.33795415  0.48025167  0.84744598
   0.41075257  0.48054197  0.66647182
   0.19413015  0.35923108  0.70848808
   0.28411489  0.22006394 -0.09788633
   0.03359053  0.17232446  0.90778308
   0.06964929  0.56943980  0.07783799
   0.35867594  0.69693744  0.28386297
   0.08255118  0.84031600  0.03868679
   0.37480441  0.95243070  0.34424086
   0.42527047  0.92066323  0.16793926
   0.17280245  0.88313333  0.22735851
   0.34369649  0.66186241  0.46635016
   0.07796334  0.67574679  0.42059230
   0.13515906  0.55710119  0.57988487
   0.28931699  0.73170718  0.79995783
   0.15703128  0.82307507  0.55967999
   0.38491383  0.98939564  0.81543016
   0.44163573  0.91867157  0.63471516
   0.16800504  0.94752596  0.70970084
   0.27265677  0.67497681 -0.01832191
   0.01610561  0.65744239  0.90177796
   0.61991801  0.07320159  0.11161559
   0.81258598  0.20724151  0.26776418
   0.62796208  0.33039006  0.02380693
   0.98425894  0.45284641  0.36434808
   0.00748612  0.34210709  0.18397617
   0.76002503  0.44311532  0.16594283
   0.75897369  0.18047024  0.45608199
   0.50737197  0.10909037  0.44649652
   0.63724332  0.10112286  0.60628406
   0.82836035  0.21602597  0.79623281
   0.56689113  0.34872897  0.53833992
   0.85620142  0.46955599  0.84927366
   0.93688719  0.41557959  0.64734089
   0.67746358  0.43413357  0.70048788
   0.80022379  0.12423791  0.96870412
   0.54459696  0.12992477  0.91928961
   0.54893967  0.58212391  0.07886433
   0.86474772  0.70291516  0.30460899
   0.62564413  0.82756263  0.05141557
   0.82926922  0.96983699  0.34953288
   0.90783323  0.87812669  0.16898437
   0.65289762  0.87327864  0.23899943
   0.83034408  0.59626547  0.46677975
   0.58042400  0.56074176  0.38496064
   0.60497271  0.61472921  0.57059575
   0.83684119  0.70194144  0.77835417
   0.66675826  0.80698743  0.42563725
   0.91925479  0.97603231  0.81798997
   0.91207940  0.86766975  0.65425422
   0.67557475  0.91736320  0.74691732
   0.75868558  0.65939554  0.96379927
   0.50829018  0.66486572  0.90794103
   0.68526723  0.85135489  0.58355535
   0.72513419  0.85673699  0.46028112
   0.85250848  0.20059987  0.12039968
   0.99460639  0.38993925  0.31144626
   0.31605782  0.14251284  0.67615449
   0.23031663  0.72553682  0.74771698
  -0.04611685  1.13051525  0.12823174
   0.23090076  1.05635618  0.00608845
   0.64118279  0.33991519  0.85602992
   0.89145218  0.48601911  0.62179964
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.781261    0.231232    0.110197
    -0.000000    9.891094    0.251091
    -0.000000    0.000000   14.136802
   Si   O    H 
    32    64    10
Direct configuration=  1085
   0.16526590  0.18300865 -0.02499390
   0.36638082  0.10107097  0.38417701
   0.12475292  0.41640200  0.12111922
   0.36480861  0.36432726  0.25835389
   0.09494861  0.16347707  0.48419578
   0.41036028  0.13909367  0.85321381
   0.09353550  0.41306208  0.62037816
   0.34472806  0.39585680  0.75213899
   0.10342480  0.68307566  0.00527943
   0.41583946  0.59797985  0.37100759
   0.06232524  0.91545861  0.14420555
   0.33392688  0.85883775  0.25606223
   0.18067082  0.67523315  0.50203265
   0.34996959  0.62770788  0.88197390
   0.06392299  0.91896136  0.62064760
   0.32643618  0.99531802  0.70279052
   0.64046549  0.16714398  1.01077219
   0.84905718  0.13245215  0.36248765
   0.61562642  0.43542278  0.11535757
   0.85275151  0.30770419  0.17484659
   0.61447575  0.19618864  0.51442969
   0.89500864  0.11582970  0.87450730
   0.56295491  0.47357407  0.62251333
   0.75364363  0.36264072  0.79488057
   0.59874349  0.68907864 -0.00427919
   0.94084251  0.60534411  0.38576762
   0.58457602  0.91876334  0.14014493
   0.81385258  0.85861357  0.26511106
   0.66642132  0.64677219  0.46295673
   0.87006218  0.62348540  0.87267740
   0.60443628  0.94536021  0.64275821
   0.83103401  0.87091439  0.75699377
   0.05998684  0.08695402  0.14082124
   0.33230493  0.20849685  0.29345033
   0.15410157  0.31878306  0.03647911
   0.36313519  0.45238911  0.34926438
   0.51462740  0.36386663  0.20497982
   0.25523672  0.44781723  0.18815025
   0.24452259  0.10980765  0.46265506
   0.00321148  0.16270221  0.38185386
   0.03290131  0.06119314  0.56361717
   0.44548493  0.26986659  0.77924369
   0.10677965  0.31978013  0.52728746
   0.33787071  0.48008118  0.84781416
   0.41147109  0.48226626  0.66661543
   0.19327824  0.35997545  0.70918552
   0.28539135  0.21994200 -0.09887497
   0.03446531  0.17227876  0.90694967
   0.06806014  0.57092234  0.07686385
   0.35893206  0.69676509  0.28474048
   0.08247217  0.83845700  0.03903668
   0.37599198  0.95197356  0.34477652
   0.42231331  0.92157177  0.16752680
   0.17223074  0.88130449  0.22640193
   0.34265032  0.66166391  0.46765725
   0.07890667  0.67510936  0.42196279
   0.13477133  0.55718901  0.57908269
   0.28800667  0.73369053  0.80110329
   0.15829695  0.82171438  0.56045707
   0.38266905  0.98998747  0.81444879
   0.44089372  0.91856333  0.63542740
   0.16918006  0.94879287  0.70939329
   0.27193910  0.67524398 -0.01904951
   0.01560155  0.65702943  0.90160740
   0.62155102  0.07339376  0.11153481
   0.81083632  0.20806504  0.26793026
   0.62805650  0.32936963  0.02459581
   0.98492852  0.45024044  0.36504607
   0.00669923  0.34356340  0.18481636
   0.75805169  0.44355137  0.16523487
   0.75944981  0.18013761  0.45666995
   0.50603964  0.10986719  0.44654455
   0.63855759  0.10077316  0.60567475
   0.82916907  0.21629392  0.79714523
   0.56645134  0.34970831  0.53964974
   0.85725914  0.46821785  0.84929911
   0.93716284  0.41415766  0.64839512
   0.67636830  0.43282410  0.69858996
   0.80022595  0.12476808  0.96866642
   0.54510312  0.12811763  0.92013734
   0.54769875  0.58117725  0.07944204
   0.86653265  0.70311855  0.30495029
   0.62733002  0.82812790  0.05173883
   0.83021290  0.96893549  0.34916039
   0.90438054  0.87965252  0.16918067
   0.65272739  0.87081252  0.23842714
   0.83007858  0.59541589  0.46720624
   0.58276417  0.56056027  0.38542667
   0.60578281  0.61468132  0.57025354
   0.83594179  0.70014335  0.77772062
   0.66671413  0.80779296  0.42584396
   0.91958529  0.97502208  0.81902693
   0.91078036  0.87006209  0.65518739
   0.67333788  0.91727116  0.74610350
   0.75888709  0.65789802  0.96395019
   0.51009879  0.66529837  0.90736039
   0.68998787  0.85060300  0.58174308
   0.71894375  0.86243398  0.45886254
   0.84499185  0.20266181  0.11683807
   0.99235112  0.39716531  0.31293827
   0.31945678  0.14118938  0.67080217
   0.22546426  0.72863216  0.74495858
  -0.04453342  1.12847910  0.12898079
   0.23819982  1.04152542  0.00695445
   0.64174106  0.34586818  0.85680371
   0.89494739  0.49190649  0.62073745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.778482    0.227303    0.110724
    -0.000000    9.890716    0.249992
    -0.000000    0.000000   14.138137
   Si   O    H 
    32    64    10
Direct configuration=  1086
   0.16506311  0.18206938 -0.02530035
   0.36747087  0.10070436  0.38455650
   0.12566273  0.41653026  0.12089858
   0.36428168  0.36487746  0.25789581
   0.09408346  0.16347604  0.48478930
   0.41046785  0.13917282  0.85309003
   0.09422907  0.41249215  0.62101611
   0.34342511  0.39700339  0.75231322
   0.10309911  0.68316836  0.00495335
   0.41593389  0.59899602  0.37105650
   0.06164125  0.91555742  0.14340842
   0.33445581  0.85998523  0.25588758
   0.18043684  0.67541899  0.50241771
   0.34888328  0.62780742  0.88196176
   0.06350937  0.91933157  0.62043659
   0.32735516  0.99564344  0.70408258
   0.63970496  0.16651648  1.01051537
   0.84755776  0.13248271  0.36201502
   0.61648661  0.43531417  0.11432848
   0.85257358  0.30752342  0.17405320
   0.61454428  0.19512981  0.51518225
   0.89513680  0.11688831  0.87469889
   0.56175957  0.47321529  0.62253124
   0.75280594  0.36300530  0.79540183
   0.59898544  0.68841388 -0.00350182
   0.94035140  0.60637007  0.38551179
   0.58582614  0.91887654  0.14016656
   0.81533929  0.85895164  0.26604309
   0.66785834  0.64685700  0.46305952
   0.86838498  0.62295551  0.87253634
   0.60509826  0.94581286  0.64383747
   0.82922831  0.87018713  0.75690718
   0.05964172  0.08664085  0.14123814
   0.33109363  0.20882713  0.29264444
   0.15400025  0.31777861  0.03770406
   0.36060201  0.45076865  0.34887214
   0.51476994  0.36378826  0.20569179
   0.25592449  0.44888001  0.18831505
   0.24330764  0.10943435  0.46274968
   0.00374098  0.16374841  0.38231708
   0.03480304  0.06201328  0.56357841
   0.44677648  0.26899715  0.77852343
   0.10694699  0.31767028  0.52619203
   0.33760564  0.47898047  0.84879404
   0.41218994  0.48362946  0.66636215
   0.19311088  0.36135308  0.71000359
   0.28645012  0.21977131 -0.09959063
   0.03547374  0.17216112  0.90635341
   0.06615472  0.57161977  0.07636098
   0.35980503  0.69661399  0.28598825
   0.08273835  0.83691246  0.03925438
   0.37716866  0.95061402  0.34512281
   0.42029438  0.92153655  0.16690633
   0.17232261  0.88002098  0.22557800
   0.34200978  0.66161983  0.46963996
   0.08000771  0.67468084  0.42260606
   0.13490174  0.55721327  0.57840444
   0.28720923  0.73616174  0.80195610
   0.15882126  0.81911599  0.56074455
   0.38037754  0.99093307  0.81359422
   0.44032192  0.91871128  0.63631553
   0.17075845  0.95020094  0.70851775
   0.27223692  0.67500575 -0.02001570
   0.01567494  0.65741648  0.90204553
   0.62222792  0.07345360  0.11101149
   0.80864749  0.20909361  0.26730091
   0.62848987  0.32845384  0.02550014
   0.98533951  0.44839182  0.36636189
   0.00604076  0.34508367  0.18587121
   0.75683182  0.44448050  0.16433112
   0.75949654  0.18064931  0.45690150
   0.50481047  0.11061594  0.44650694
   0.63942456  0.09937484  0.60588424
   0.82967718  0.21723947  0.79733385
   0.56633235  0.35095213  0.54079812
   0.85761448  0.46659004  0.84932122
   0.93686865  0.41225297  0.64994798
   0.67612784  0.43195258  0.69680208
   0.80036336  0.12478071  0.96873028
   0.54633942  0.12611962  0.92065736
   0.54665211  0.57918425  0.07995795
   0.86820878  0.70354575  0.30505934
   0.62928555  0.82818856  0.05218790
   0.83135403  0.96836725  0.34881794
   0.90119664  0.88025370  0.16998407
   0.65298087  0.86775804  0.23753464
   0.82887230  0.59452987  0.46818137
   0.58399658  0.56092376  0.38577274
   0.60552525  0.61429050  0.56974326
   0.83427525  0.69928446  0.77686099
   0.66541240  0.80743432  0.42646466
   0.91974538  0.97385956  0.82012253
   0.91044381  0.87251405  0.65563910
   0.67109383  0.91741632  0.74538483
   0.75933568  0.65612054  0.96372537
   0.51147009  0.66565923  0.90642655
   0.69067840  0.85599302  0.58222024
   0.72696822  0.87818814  0.46537459
   0.83766121  0.19748737  0.10884513
   0.99215513  0.39960262  0.30650134
   0.32153673  0.13845316  0.66539482
   0.22748326  0.72860551  0.74866522
  -0.03167187  1.12311430  0.13048375
   0.23909580  1.03202361  0.00935563
   0.63447258  0.35273216  0.85675002
   0.89252836  0.50343572  0.61959016
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.776237    0.223151    0.111021
    -0.000000    9.890108    0.248548
    -0.000000    0.000000   14.139698
   Si   O    H 
    32    64    10
Direct configuration=  1087
   0.16516197  0.18062575 -0.02580086
   0.36805125  0.09984370  0.38511387
   0.12659788  0.41624211  0.12070915
   0.36338054  0.36470853  0.25734371
   0.09308191  0.16318087  0.48555875
   0.41116307  0.13993659  0.85332773
   0.09543861  0.41095667  0.62175671
   0.34220926  0.39835182  0.75288494
   0.10323548  0.68343641  0.00407190
   0.41632107  0.60000736  0.37170048
   0.06102558  0.91561043  0.14250956
   0.33490903  0.86052388  0.25605982
   0.18054176  0.67574770  0.50320303
   0.34812949  0.62805620  0.88238263
   0.06348962  0.91990878  0.61994510
   0.32821723  0.99611104  0.70539766
   0.63940167  0.16585758  1.01016953
   0.84563135  0.13200030  0.36186467
   0.61672768  0.43512855  0.11354763
   0.85192796  0.30734023  0.17359427
   0.61494005  0.19461560  0.51549811
   0.89539794  0.11783519  0.87511262
   0.56033024  0.47223720  0.62224619
   0.75223260  0.36358032  0.79537979
   0.59960037  0.68792183 -0.00261186
   0.93959875  0.60707019  0.38507375
   0.58666939  0.91909398  0.14008810
   0.81597231  0.85982088  0.26725844
   0.66914000  0.64726598  0.46298766
   0.86585147  0.62241170  0.87279219
   0.60561070  0.94679855  0.64454166
   0.82751235  0.86972083  0.75674851
   0.06004072  0.08613615  0.14194373
   0.33062152  0.20961998  0.29180008
   0.15472669  0.31695406  0.03838613
   0.35802508  0.44973539  0.34920367
   0.51435311  0.36385336  0.20649874
   0.25616579  0.44972318  0.18777299
   0.24291440  0.10930423  0.46270280
   0.00476844  0.16506884  0.38336542
   0.03694427  0.06169136  0.56390026
   0.44864342  0.26756598  0.77781718
   0.10724555  0.31505115  0.52546277
   0.33740653  0.47777104  0.84965342
   0.41254790  0.48451331  0.66618971
   0.19277739  0.36233410  0.71085682
   0.28741366  0.21952528 -0.10061670
   0.03732884  0.17209884  0.90604900
   0.06487136  0.57125649  0.07622651
   0.36080680  0.69684537  0.28617432
   0.08285596  0.83638770  0.03961543
   0.37808586  0.94894476  0.34484305
   0.41898537  0.92185373  0.16621547
   0.17216462  0.87957471  0.22481367
   0.34200444  0.66172495  0.47145204
   0.08017558  0.67525290  0.42268358
   0.13513089  0.55806698  0.57767315
   0.28675641  0.73830929  0.80262203
   0.15915759  0.81640207  0.56093315
   0.37998271  0.99074403  0.81253261
   0.43996779  0.91870434  0.63724105
   0.17110093  0.95136698  0.70797010
   0.27229529  0.67504400 -0.02057447
   0.01671518  0.65820054  0.90300652
   0.62328521  0.07316465  0.11043985
   0.80661690  0.21003205  0.26682576
   0.62893038  0.32797425  0.02642373
   0.98515661  0.44585156  0.36743405
   0.00628239  0.34733744  0.18661494
   0.75609396  0.44447171  0.16416747
   0.76051528  0.18081669  0.45674733
   0.50290333  0.11142271  0.44628664
   0.63930310  0.09804264  0.60600830
   0.82963847  0.21811802  0.79731950
   0.56620101  0.35211026  0.54184395
   0.85823617  0.46540152  0.84942298
   0.93521619  0.41210844  0.65090335
   0.67566550  0.43175616  0.69572387
   0.79992370  0.12466779  0.96955110
   0.54744569  0.12388008  0.92123873
   0.54624837  0.57739960  0.08010152
   0.87015405  0.70385183  0.30485257
   0.62994024  0.82811235  0.05284405
   0.83155355  0.96726034  0.34833614
   0.89776006  0.88153076  0.16997520
   0.65338591  0.86465843  0.23702991
   0.82750756  0.59376435  0.46891234
   0.58519710  0.56186477  0.38535249
   0.60499566  0.61395687  0.56894084
   0.83236854  0.69933634  0.77609762
   0.66397683  0.80754541  0.42748760
   0.91957815  0.97299676  0.82114491
   0.90973818  0.87380309  0.65620141
   0.66905936  0.91702473  0.74469653
   0.76040701  0.65424296  0.96278241
   0.51227932  0.66686369  0.90507105
   0.68395244  0.86180266  0.58474461
   0.72729068  0.88260349  0.46573205
   0.83162526  0.19601234  0.10019232
   0.99547788  0.40280283  0.30374541
   0.32310078  0.13283954  0.66134523
   0.22886854  0.72508902  0.75067197
  -0.02281287  1.12012630  0.13170030
   0.23335110  1.02983673  0.01092217
   0.62802494  0.35532213  0.85846322
   0.89628747  0.50343690  0.62421400
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774485    0.219634    0.111732
    -0.000000    9.889509    0.246699
    -0.000000    0.000000   14.141608
   Si   O    H 
    32    64    10
Direct configuration=  1088
   0.16569244  0.17872697 -0.02604591
   0.36809888  0.09943153  0.38558092
   0.12721082  0.41554303  0.12037339
   0.36302709  0.36427733  0.25654719
   0.09256333  0.16303158  0.48583764
   0.41162924  0.14033239  0.85352862
   0.09703916  0.40941985  0.62208657
   0.34165171  0.39899168  0.75326341
   0.10314729  0.68377965  0.00316584
   0.41644071  0.60034003  0.37290093
   0.06030072  0.91503789  0.14155061
   0.33518323  0.86106201  0.25655701
   0.18168243  0.67564265  0.50421723
   0.34730364  0.62907982  0.88250246
   0.06303468  0.92021053  0.61968587
   0.32867772  0.99598038  0.70635966
   0.63931133  0.16555946  1.00974904
   0.84389984  0.13207351  0.36187776
   0.61624069  0.43577062  0.11274997
   0.85162897  0.30681430  0.17309809
   0.61504599  0.19455884  0.51537220
   0.89589144  0.11921323  0.87565127
   0.55926168  0.47141145  0.62141673
   0.75122055  0.36467334  0.79507233
   0.60095506  0.68764119 -0.00184667
   0.93885709  0.60731953  0.38454630
   0.58726866  0.91910155  0.14044149
   0.81652202  0.86012103  0.26820817
   0.67000016  0.64780930  0.46291825
   0.86354638  0.62172656  0.87363003
   0.60579777  0.94767273  0.64528039
   0.82643724  0.86915393  0.75606834
   0.06151698  0.08431590  0.14233676
   0.33013457  0.20965671  0.29168793
   0.15531203  0.31584617  0.03826331
   0.35596340  0.44980565  0.34958935
   0.51422444  0.36469769  0.20672175
   0.25587067  0.45026269  0.18742112
   0.24268381  0.10902095  0.46283464
   0.00513523  0.16648699  0.38470011
   0.03891818  0.06201063  0.56395137
   0.45044151  0.26677876  0.77741825
   0.10722500  0.31272071  0.52497809
   0.33738659  0.47738786  0.85059377
   0.41238470  0.48546400  0.66598148
   0.19238368  0.36211761  0.71152700
   0.28755284  0.21873916 -0.10113087
   0.03916335  0.17274008  0.90598144
   0.06376264  0.56944138  0.07640374
   0.36113444  0.69712018  0.28626877
   0.08288197  0.83520226  0.04027731
   0.37893007  0.94719696  0.34484609
   0.41791664  0.92207821  0.16499289
   0.17295570  0.87941291  0.22410238
   0.34237308  0.66208579  0.47199492
   0.07951228  0.67659267  0.42212352
   0.13584644  0.55888151  0.57703949
   0.28679680  0.74032870  0.80313031
   0.15968071  0.81460860  0.56096217
   0.38003610  0.99156501  0.81181689
   0.44011244  0.91928010  0.63819460
   0.17058580  0.95216362  0.70773819
   0.27242622  0.67466012 -0.02103192
   0.01871766  0.65906469  0.90393834
   0.62525422  0.07314367  0.10912812
   0.80451993  0.21118321  0.26595248
   0.62896132  0.32751126  0.02754513
   0.98587392  0.44392028  0.36814930
   0.00583300  0.35026963  0.18735236
   0.75524441  0.44489763  0.16398266
   0.76134472  0.18151363  0.45659475
   0.50158852  0.11227503  0.44611928
   0.63884517  0.09708649  0.60705248
   0.82980853  0.21870519  0.79709881
   0.56671394  0.35249658  0.54263795
   0.85949743  0.46430534  0.84952384
   0.93329560  0.41187914  0.65145775
   0.67523511  0.43111914  0.69523406
   0.79914332  0.12477323  0.97032375
   0.54903383  0.12258448  0.92199926
   0.54519573  0.57567181  0.07975983
   0.87111391  0.70552061  0.30441685
   0.63011392  0.82807518  0.05296582
   0.83176775  0.96626935  0.34863936
   0.89458870  0.88253597  0.16976370
   0.65476553  0.86164226  0.23667113
   0.82544957  0.59349218  0.47011765
   0.58508804  0.56254929  0.38503139
   0.60429433  0.61347855  0.56820833
   0.83069687  0.69991046  0.77558235
   0.66334113  0.80779645  0.42927345
   0.91931178  0.97102704  0.82253822
   0.90915228  0.87496616  0.65669116
   0.66710538  0.91618494  0.74445208
   0.76173197  0.65201621  0.96205606
   0.51287499  0.66802607  0.90324536
   0.67720142  0.86463998  0.58703382
   0.71966938  0.87314552  0.46097915
   0.83193363  0.20066898  0.09396248
   0.99771866  0.40993770  0.30253208
   0.32326703  0.12693392  0.65703912
   0.22767593  0.71620139  0.75007534
  -0.03875161  1.12792252  0.12969662
   0.22301447  1.03625878  0.01131212
   0.62689154  0.35906485  0.85897214
   0.90077893  0.49836553  0.63273865
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772424    0.215768    0.112373
    -0.000000    9.889230    0.245362
    -0.000000    0.000000   14.143497
   Si   O    H 
    32    64    10
Direct configuration=  1089
   0.16655032  0.17660788 -0.02546360
   0.36809035  0.09910142  0.38599114
   0.12766021  0.41506185  0.12050061
   0.36250565  0.36351621  0.25618697
   0.09198818  0.16330119  0.48589012
   0.41205872  0.14079396  0.85391771
   0.09926079  0.40782040  0.62193256
   0.34059215  0.39916937  0.75307426
   0.10301741  0.68417827  0.00236691
   0.41664899  0.59950988  0.37403561
   0.05916194  0.91459145  0.14071893
   0.33490644  0.86169366  0.25674980
   0.18343131  0.67552875  0.50522602
   0.34636367  0.63009673  0.88248738
   0.06253244  0.92064364  0.61924224
   0.32907227  0.99572540  0.70683708
   0.63929750  0.16509165  1.00913486
   0.84305654  0.13265847  0.36236567
   0.61517937  0.43559686  0.11237338
   0.85038753  0.30609987  0.17237273
   0.61475905  0.19449524  0.51521296
   0.89593333  0.12045806  0.87632016
   0.55866552  0.47002607  0.62070117
   0.74954925  0.36545434  0.79478611
   0.60234258  0.68749079 -0.00090783
   0.93784464  0.60736238  0.38420427
   0.58760466  0.91944893  0.14103938
   0.81726105  0.85987397  0.26889750
   0.67078148  0.64873949  0.46292929
   0.86097938  0.62076231  0.87463080
   0.60528420  0.94899183  0.64539538
   0.82546813  0.86808755  0.75526220
   0.06192843  0.08257801  0.14219074
   0.32935821  0.21003194  0.29218785
   0.15597887  0.31496460  0.03761069
   0.35368398  0.45017461  0.34996477
   0.51494053  0.36592276  0.20655384
   0.25487615  0.45003186  0.18678069
   0.24309521  0.10890242  0.46298499
   0.00502003  0.16803126  0.38571219
   0.04033260  0.06280512  0.56406134
   0.45150250  0.26663774  0.77720816
   0.10777782  0.31052648  0.52448655
   0.33668466  0.47613954  0.85176799
   0.41180025  0.48650128  0.66616234
   0.19199561  0.36078314  0.71206344
   0.28747182  0.21753778 -0.10161038
   0.04144308  0.17389791  0.90554119
   0.06343161  0.56704075  0.07669237
   0.36193262  0.69783479  0.28623745
   0.08364908  0.83476713  0.04105926
   0.37919397  0.94664472  0.34488544
   0.41743656  0.92319345  0.16383371
   0.17317975  0.87849224  0.22344828
   0.34300075  0.66262862  0.47201743
   0.07942526  0.67743356  0.42132149
   0.13672470  0.55901828  0.57679729
   0.28772007  0.74242724  0.80338750
   0.15943548  0.81285863  0.56124561
   0.38033650  0.99292305  0.81186678
   0.43951573  0.91932707  0.63898391
   0.16913574  0.95324206  0.70734314
   0.27241477  0.67416391 -0.02159572
   0.02081242  0.65899094  0.90470755
   0.62620589  0.07318713  0.10762480
   0.80362057  0.21172123  0.26505530
   0.62862563  0.32658999  0.02860785
   0.98643841  0.44215991  0.36866620
   0.00594370  0.35312088  0.18790973
   0.75502056  0.44497504  0.16378555
   0.76237718  0.18171141  0.45629028
   0.50014221  0.11251493  0.44633062
   0.63849790  0.09610168  0.60792658
   0.83017429  0.21919393  0.79666314
   0.56750009  0.35256736  0.54392297
   0.86104128  0.46387781  0.84970358
   0.93195173  0.41133167  0.65220331
   0.67568454  0.43028599  0.69526314
   0.79694829  0.12481934  0.97051256
   0.55029450  0.12103210  0.92268909
   0.54431547  0.57430232  0.07973034
   0.87215050  0.70676207  0.30360384
   0.62981807  0.82744880  0.05299014
   0.83222142  0.96519868  0.34999212
   0.89200591  0.88437760  0.16915535
   0.65528835  0.85909628  0.23604842
   0.82369178  0.59332183  0.47081731
   0.58411898  0.56363621  0.38446858
   0.60370203  0.61232321  0.56783196
   0.82868567  0.70139967  0.77497440
   0.66264155  0.80827273  0.43057899
   0.91906427  0.96903529  0.82409505
   0.90853238  0.87654922  0.65657107
   0.66572327  0.91587635  0.74455755
   0.76233708  0.65074703  0.96168461
   0.51453707  0.66912483  0.90208412
   0.67330304  0.86242297  0.58622555
   0.71124855  0.86350297  0.45430952
   0.83869655  0.21069797  0.09244558
   1.00153029  0.41429018  0.30717624
   0.32174643  0.12355104  0.65348458
   0.22847624  0.70841085  0.75213446
  -0.04680803  1.12933652  0.12918004
   0.20918401  1.04472027  0.00908164
   0.62939867  0.36306360  0.85672764
   0.90316584  0.49732300  0.64120605
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.770464    0.211926    0.112573
    -0.000000    9.889138    0.243813
    -0.000000    0.000000   14.145168
   Si   O    H 
    32    64    10
Direct configuration=  1090
   0.16735479  0.17525042 -0.02494463
   0.36701616  0.09909533  0.38587871
   0.12796344  0.41504778  0.12077672
   0.36197993  0.36275740  0.25568610
   0.09146546  0.16447025  0.48565945
   0.41277970  0.14102012  0.85427552
   0.10179289  0.40627939  0.62164764
   0.33964924  0.39888777  0.75300296
   0.10356235  0.68369248  0.00170455
   0.41688237  0.59870951  0.37461383
   0.05814380  0.91403298  0.13989376
   0.33498542  0.86222185  0.25715433
   0.18455798  0.67582924  0.50613624
   0.34601074  0.63129548  0.88248021
   0.06193157  0.92099216  0.61871239
   0.32878663  0.99582519  0.70653924
   0.63941242  0.16513207  1.00858184
   0.84235213  0.13277038  0.36322794
   0.61401416  0.43494901  0.11188904
   0.84829110  0.30561564  0.17212863
   0.61462051  0.19458869  0.51485709
   0.89593971  0.12174812  0.87669383
   0.55855040  0.46883399  0.62019025
   0.74777563  0.36669816  0.79469490
   0.60367653  0.68725205 -0.00076822
   0.93709798  0.60748435  0.38369596
   0.58773371  0.91994756  0.14172490
   0.81784459  0.85970086  0.26927469
   0.67152843  0.64923813  0.46306131
   0.85818092  0.62016549  0.87521974
   0.60481389  0.94997551  0.64541705
   0.82503524  0.86663649  0.75482568
   0.06181964  0.08150845  0.14206806
   0.32918161  0.21069035  0.29352104
   0.15627049  0.31377586  0.03613689
   0.35215610  0.45084274  0.35056848
   0.51641503  0.36739252  0.20581617
   0.25393920  0.44941553  0.18649071
   0.24371573  0.10896359  0.46315091
   0.00493176  0.16888806  0.38686029
   0.04192974  0.06336974  0.56500471
   0.45191563  0.26674338  0.77683500
   0.10808366  0.30881942  0.52469963
   0.33547862  0.47522268  0.85247935
   0.41043376  0.48701371  0.66619885
   0.19226056  0.35915708  0.71188749
   0.28703248  0.21660310 -0.10179291
   0.04334217  0.17497940  0.90540087
   0.06309260  0.56491311  0.07675731
   0.36241743  0.69819555  0.28606695
   0.08382452  0.83407986  0.04138012
   0.37957785  0.94619267  0.34544897
   0.41772616  0.92438522  0.16266404
   0.17341093  0.87751908  0.22350232
   0.34317497  0.66292558  0.47196389
   0.07957751  0.67838858  0.42010225
   0.13679153  0.55846252  0.57705507
   0.28837816  0.74438670  0.80308833
   0.15939588  0.81116791  0.56176060
   0.38145452  0.99459680  0.81266879
   0.44003047  0.91962706  0.63956664
   0.16778008  0.95471777  0.70728409
   0.27169260  0.67378647 -0.02221881
   0.02209110  0.65865113  0.90557740
   0.62745675  0.07324625  0.10679367
   0.80297132  0.21213325  0.26408453
   0.62742701  0.32553000  0.02977278
   0.98638310  0.44138951  0.36983026
   0.00687256  0.35542352  0.18884655
   0.75608475  0.44536029  0.16354458
   0.76317189  0.18209604  0.45647230
   0.49895359  0.11265393  0.44704423
   0.63748023  0.09647693  0.60855890
   0.83029336  0.22060657  0.79581435
   0.56923073  0.35167983  0.54489594
   0.86175030  0.46313598  0.84980218
   0.93092830  0.41022572  0.65355186
   0.67702585  0.42931882  0.69504861
   0.79452151  0.12426592  0.97123186
   0.55067351  0.11969571  0.92322778
   0.54376661  0.57232177  0.07984961
   0.87269761  0.70864355  0.30300016
   0.62961739  0.82576883  0.05332489
   0.83294932  0.96523068  0.35146929
   0.89082476  0.88631626  0.16904070
   0.65620684  0.85685325  0.23566306
   0.82255495  0.59331770  0.47119270
   0.58324618  0.56422778  0.38404643
   0.60296591  0.61163038  0.56725068
   0.82696922  0.70258906  0.77491349
   0.66059836  0.80680407  0.43133152
   0.91948706  0.96703050  0.82561757
   0.90792983  0.87804973  0.65648940
   0.66392399  0.91533163  0.74523304
   0.76323901  0.64984546  0.96135666
   0.51650717  0.67039459  0.90115472
   0.67255746  0.85615776  0.58181868
   0.72794248  0.88431528  0.46161159
   0.84951458  0.22228890  0.09250352
   1.00367808  0.41752176  0.30376547
   0.31879735  0.11973623  0.64904771
   0.23275100  0.70597745  0.75555396
  -0.04419769  1.12346284  0.13163098
   0.19575985  1.05103770  0.00587158
   0.63351869  0.36490078  0.85674797
   0.89833382  0.51386126  0.64521708
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.768266    0.208991    0.112608
    -0.000000    9.889150    0.242262
    -0.000000    0.000000   14.147572
   Si   O    H 
    32    64    10
Direct configuration=  1091
   0.16820750  0.17445815 -0.02443402
   0.36572754  0.09961038  0.38500832
   0.12801162  0.41504334  0.12092876
   0.36147337  0.36225953  0.25491785
   0.09080510  0.16490536  0.48572125
   0.41364505  0.14099673  0.85455181
   0.10345004  0.40415183  0.62144830
   0.33832636  0.39856050  0.75271243
   0.10392963  0.68280230  0.00066773
   0.41666082  0.59819515  0.37524812
   0.05729823  0.91406793  0.13936245
   0.33484143  0.86283846  0.25800775
   0.18527947  0.67603434  0.50701431
   0.34589734  0.63233848  0.88233715
   0.06171180  0.92139840  0.61817112
   0.32856562  0.99592810  0.70593528
   0.63982766  0.16533172  1.00804907
   0.84234480  0.13275425  0.36365310
   0.61251806  0.43401850  0.11152033
   0.84653385  0.30547405  0.17224076
   0.61421385  0.19469175  0.51411941
   0.89610569  0.12261021  0.87718226
   0.55901856  0.46775193  0.61991948
   0.74642670  0.36851268  0.79462859
   0.60468844  0.68664561 -0.00070325
   0.93672978  0.60727709  0.38339659
   0.58768456  0.92043765  0.14210555
   0.81822529  0.85938406  0.26945807
   0.67117717  0.64936469  0.46357371
   0.85536480  0.61882530  0.87553914
   0.60425234  0.95045268  0.64513200
   0.82449303  0.86529649  0.75431138
   0.06181430  0.08023657  0.14160889
   0.32864708  0.21050714  0.29500026
   0.15666079  0.31285717  0.03493857
   0.35081013  0.45193314  0.35078157
   0.51718432  0.36874591  0.20552709
   0.25310739  0.44795341  0.18586429
   0.24442485  0.10889827  0.46286525
   0.00526263  0.17008825  0.38759499
   0.04310860  0.06281314  0.56630733
   0.45135658  0.26727817  0.77590848
   0.10831865  0.30733386  0.52560334
   0.33498638  0.47433895  0.85330214
   0.40902205  0.48730146  0.66697545
   0.19231163  0.35759112  0.71166471
   0.28666126  0.21569333 -0.10117691
   0.04425423  0.17568302  0.90482229
   0.06379971  0.56253043  0.07685619
   0.36245798  0.69843141  0.28576424
   0.08389073  0.83379457  0.04150842
   0.37984442  0.94544713  0.34612732
   0.41792506  0.92528568  0.16180078
   0.17393696  0.87588570  0.22335531
   0.34359948  0.66294247  0.47168667
   0.07866826  0.67969162  0.41900971
   0.13730965  0.55810459  0.57778791
   0.28863187  0.74622421  0.80325890
   0.15986085  0.81003118  0.56173433
   0.38280484  0.99621276  0.81374538
   0.44091430  0.91849660  0.64027024
   0.16678711  0.95583727  0.70678193
   0.27014050  0.67305836 -0.02222236
   0.02315090  0.65881053  0.90665015
   0.62858979  0.07280955  0.10559443
   0.80228213  0.21317614  0.26283013
   0.62566202  0.32514636  0.03106680
   0.98553712  0.44144878  0.37045405
   0.00748553  0.35738658  0.18972947
   0.75705434  0.44549099  0.16369705
   0.76321657  0.18228943  0.45746236
   0.49925554  0.11303532  0.44800979
   0.63677855  0.09698063  0.60828868
   0.83004392  0.22218329  0.79493562
   0.57003179  0.34954954  0.54614097
   0.86295412  0.46262494  0.84931199
   0.93051357  0.40950742  0.65506697
   0.67800831  0.42813865  0.69564746
   0.79253877  0.12445080  0.97186193
   0.54959212  0.11825985  0.92345034
   0.54282106  0.57111257  0.07893254
   0.87245256  0.71094667  0.30204940
   0.62960068  0.82386997  0.05320953
   0.83318511  0.96537289  0.35352518
   0.89055348  0.88825654  0.16870922
   0.65653435  0.85565755  0.23543313
   0.82237129  0.59238823  0.47145765
   0.58178045  0.56469813  0.38373450
   0.60135394  0.61068615  0.56679912
   0.82637564  0.70371531  0.77528529
   0.65896420  0.80543866  0.43201400
   0.91879491  0.96623244  0.82704955
   0.90761894  0.87983461  0.65676810
   0.66306201  0.91493577  0.74653542
   0.76367218  0.64941123  0.96115497
   0.51766233  0.67131919  0.89985227
   0.67225653  0.85127898  0.57839286
   0.73674239  0.89084515  0.46411784
   0.85607037  0.23090290  0.08809294
   1.00342603  0.42053190  0.29873537
   0.31655269  0.12128769  0.64596423
   0.23861448  0.70532120  0.75802736
  -0.02682914  1.11472051  0.13351691
   0.18885226  1.04612392  0.00607792
   0.63632225  0.36768448  0.85764529
   0.89676876  0.51368980  0.64902438
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.766253    0.206145    0.112754
    -0.000000    9.888820    0.240673
    -0.000000    0.000000   14.149514
   Si   O    H 
    32    64    10
Direct configuration=  1092
   0.16894400  0.17404229 -0.02410679
   0.36449415  0.09968942  0.38432752
   0.12767998  0.41542277  0.12116164
   0.36123282  0.36209529  0.25386844
   0.09080014  0.16447427  0.48569146
   0.41492582  0.14141825  0.85479680
   0.10495072  0.40245230  0.62102386
   0.33781023  0.39818846  0.75220484
   0.10425856  0.68184423  0.00035702
   0.41581465  0.59770492  0.37547861
   0.05666481  0.91351885  0.13881930
   0.33494162  0.86258565  0.25870414
   0.18554473  0.67559058  0.50800804
   0.34602183  0.63335025  0.88223423
   0.06220911  0.92214135  0.61804947
   0.32807394  0.99540172  0.70560904
   0.64019483  0.16556116  1.00707556
   0.84280888  0.13250603  0.36406739
   0.61070506  0.43232270  0.11159841
   0.84500793  0.30662931  0.17256837
   0.61373220  0.19406165  0.51309591
   0.89599079  0.12360641  0.87780123
   0.55975374  0.46710568  0.61975780
   0.74586548  0.37000978  0.79437110
   0.60585642  0.68576857 -0.00081918
   0.93655922  0.60737020  0.38337971
   0.58720173  0.92165289  0.14234363
   0.81897456  0.85871563  0.26965365
   0.67019306  0.64928507  0.46400647
   0.85360688  0.61685354  0.87568265
   0.60396519  0.94944617  0.64447809
   0.82479907  0.86494320  0.75407364
   0.06169799  0.07887732  0.14144999
   0.32811935  0.21047522  0.29627578
   0.15672809  0.31203768  0.03385018
   0.34905845  0.45194379  0.35127650
   0.51830263  0.36917210  0.20558523
   0.25258106  0.44648951  0.18587372
   0.24497574  0.10881954  0.46273186
   0.00496027  0.17104708  0.38755860
   0.04425567  0.06250629  0.56748928
   0.45041538  0.26805956  0.77490494
   0.10908917  0.30683335  0.52664900
   0.33389879  0.47342220  0.85413309
   0.40815568  0.48760749  0.66762933
   0.19196688  0.35634376  0.71112028
   0.28617068  0.21468800 -0.10073867
   0.04418551  0.17578280  0.90465960
   0.06474399  0.56058972  0.07702001
   0.36256876  0.69860819  0.28577391
   0.08401950  0.83341560  0.04168892
   0.38012041  0.94523187  0.34648944
   0.41815467  0.92665135  0.16110241
   0.17395164  0.87421155  0.22273154
   0.34351669  0.66321100  0.47103472
   0.07674793  0.68070578  0.41811716
   0.13755982  0.55808545  0.57920652
   0.28950809  0.74671002  0.80409430
   0.15990302  0.80991595  0.56177701
   0.38430061  0.99761562  0.81453702
   0.44190453  0.91652161  0.64096758
   0.16593462  0.95640859  0.70593657
   0.26861422  0.67358763 -0.02216082
   0.02296249  0.65913297  0.90721791
   0.62935230  0.07311522  0.10486199
   0.80218864  0.21427088  0.26195553
   0.62468000  0.32398593  0.03229615
   0.98393894  0.44202562  0.37055143
   0.00902985  0.35945579  0.19048326
   0.75812248  0.44453502  0.16348677
   0.76285969  0.18222624  0.45837336
   0.50034033  0.11286055  0.44917448
   0.63618955  0.09840343  0.60775790
   0.83025144  0.22368402  0.79399424
   0.57062714  0.34685661  0.54694985
   0.86378760  0.46212536  0.84840201
   0.93024779  0.40926555  0.65682793
   0.67891205  0.42657649  0.69608398
   0.79215188  0.12501866  0.97144667
   0.54803251  0.11618272  0.92348423
   0.54088746  0.57070331  0.07789621
   0.87218352  0.71268661  0.30163895
   0.62915283  0.82232388  0.05306612
   0.83299971  0.96633452  0.35517924
   0.89141747  0.88980880  0.16773712
   0.65666325  0.85447525  0.23529159
   0.82401089  0.59139573  0.47195543
   0.57977464  0.56561861  0.38381948
   0.59946258  0.60945308  0.56608971
   0.82567513  0.70515006  0.77588626
   0.65759122  0.80495174  0.43249279
   0.91786464  0.96504095  0.82893664
   0.90832813  0.88119594  0.65643171
   0.66270604  0.91455316  0.74816397
   0.76449382  0.64880361  0.96087047
   0.51856807  0.67290974  0.89865792
   0.66649973  0.85149442  0.57650136
   0.73731712  0.88480406  0.46396571
   0.86179553  0.23919226  0.08342687
   1.00313887  0.42214965  0.30186298
   0.31602292  0.12521791  0.64450228
   0.23667135  0.69841380  0.75394079
  -0.02378414  1.11245038  0.13301222
   0.18753708  1.02780969  0.00757449
   0.63506837  0.36978738  0.86246806
   0.89747275  0.50228279  0.65224584
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.764181    0.203243    0.112933
    -0.000000    9.887956    0.239489
    -0.000000    0.000000   14.151623
   Si   O    H 
    32    64    10
Direct configuration=  1093
   0.16997020  0.17356739 -0.02403938
   0.36366426  0.09970818  0.38396824
   0.12738217  0.41639743  0.12092320
   0.36139123  0.36247146  0.25317509
   0.09062376  0.16350845  0.48549467
   0.41614994  0.14167370  0.85536746
   0.10564960  0.40139369  0.62067477
   0.33746545  0.39806375  0.75152354
   0.10525040  0.68057826  0.00027915
   0.41455812  0.59767846  0.37575553
   0.05620907  0.91290662  0.13845746
   0.33501728  0.86180907  0.25933219
   0.18637802  0.67429063  0.50887407
   0.34629204  0.63442495  0.88210336
   0.06326164  0.92233857  0.61801155
   0.32789766  0.99530469  0.70554019
   0.64042201  0.16566892  1.00659324
   0.84294842  0.13187192  0.36412051
   0.60950613  0.43102735  0.11242953
   0.84319227  0.30788915  0.17277251
   0.61386481  0.19344439  0.51237176
   0.89612068  0.12483889  0.87823904
   0.56042449  0.46605489  0.61934008
   0.74494101  0.37165601  0.79467606
   0.60700877  0.68469316 -0.00105803
   0.93699662  0.60714401  0.38343211
   0.58608640  0.92280238  0.14218826
   0.81905503  0.85780998  0.26989927
   0.66911219  0.64852205  0.46437460
   0.85233226  0.61505534  0.87571918
   0.60318209  0.94864578  0.64372529
   0.82540554  0.86493228  0.75439677
   0.06299464  0.07752945  0.14169515
   0.32727745  0.21111879  0.29720348
   0.15619996  0.31132480  0.03315139
   0.34753369  0.45291627  0.35188707
   0.51966259  0.37021954  0.20516468
   0.25261940  0.44488579  0.18591734
   0.24614777  0.10885002  0.46244478
   0.00519671  0.17149146  0.38762842
   0.04522389  0.06373449  0.56859069
   0.44954369  0.26767127  0.77419243
   0.10959569  0.30658638  0.52837650
   0.33349399  0.47301008  0.85465581
   0.40713801  0.48744951  0.66802123
   0.19130179  0.35458124  0.71089656
   0.28633930  0.21374346 -0.10030795
   0.04311154  0.17589950  0.90427006
   0.06592504  0.55914511  0.07723768
   0.36254615  0.69906593  0.28568913
   0.08425318  0.83296417  0.04167557
   0.38108129  0.94593845  0.34675686
   0.41885776  0.92808379  0.16062538
   0.17410344  0.87281235  0.22204403
   0.34367298  0.66240825  0.47104188
   0.07476733  0.68191513  0.41756416
   0.13832902  0.55795923  0.58085026
   0.29083847  0.74685901  0.80452471
   0.15947627  0.81028599  0.56128720
   0.38566832  0.99820017  0.81521870
   0.44320941  0.91449558  0.64156710
   0.16528539  0.95515771  0.70573922
   0.26725511  0.67370801 -0.02288429
   0.02180652  0.65902373  0.90725061
   0.63029273  0.07368606  0.10452592
   0.80180178  0.21407584  0.26146525
   0.62442134  0.32273274  0.03335339
   0.98139950  0.44311760  0.37036458
   0.00946874  0.36052384  0.19185142
   0.75865970  0.44426295  0.16290783
   0.76290546  0.18222187  0.45945817
   0.50102277  0.11218771  0.44991986
   0.63535490  0.10073091  0.60682775
   0.83005325  0.22501901  0.79307190
   0.57087316  0.34477160  0.54710631
   0.86514654  0.46113000  0.84798443
   0.93085586  0.40916224  0.65840997
   0.67948523  0.42562774  0.69678198
   0.79276961  0.12578164  0.97072989
   0.54640136  0.11415191  0.92355960
   0.53980155  0.57112578  0.07651466
   0.87217747  0.71408227  0.30137148
   0.62892568  0.82104570  0.05293768
   0.83240423  0.96831115  0.35641047
   0.89255342  0.89204934  0.16668902
   0.65803882  0.85323790  0.23546159
   0.82611670  0.59114264  0.47208700
   0.57793201  0.56645841  0.38376462
   0.59823564  0.60803621  0.56541332
   0.82566264  0.70692881  0.77671452
   0.65796560  0.80502831  0.43227167
   0.91643995  0.96347560  0.83109475
   0.90971984  0.88222438  0.65586196
   0.66351425  0.91390979  0.74938917
   0.76466283  0.64867668  0.96128869
   0.51849173  0.67447536  0.89792973
   0.65987380  0.85718901  0.57777464
   0.73167231  0.87151349  0.45909423
   0.86322802  0.24700431  0.07773763
   1.00377763  0.42274027  0.30672970
   0.31610213  0.12828790  0.64461301
   0.23542107  0.69624760  0.75392526
  -0.04178452  1.11954579  0.12979149
   0.18576519  1.01156624  0.00972065
   0.63084484  0.37564057  0.86427182
   0.90016413  0.49178300  0.65332321
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.761608    0.200482    0.112800
    -0.000000    9.887484    0.238803
    -0.000000    0.000000   14.153327
   Si   O    H 
    32    64    10
Direct configuration=  1094
   0.17013481  0.17214871 -0.02379245
   0.36283545  0.09976463  0.38353450
   0.12738568  0.41749597  0.12045746
   0.36188103  0.36299742  0.25255289
   0.09010009  0.16304206  0.48537061
   0.41732086  0.14235267  0.85605148
   0.10613616  0.40030660  0.62012748
   0.33750990  0.39752751  0.75103499
   0.10584247  0.67961851  0.00004159
   0.41357960  0.59782828  0.37571123
   0.05524129  0.91200675  0.13804453
   0.33525741  0.86081995  0.25965805
   0.18786013  0.67303118  0.50961399
   0.34682132  0.63531121  0.88231953
   0.06426963  0.92173904  0.61805610
   0.32745425  0.99501331  0.70536059
   0.64059262  0.16549260  1.00617665
   0.84262243  0.13127174  0.36398514
   0.60879490  0.42993028  0.11308093
   0.84242406  0.30942351  0.17290001
   0.61372581  0.19272715  0.51159760
   0.89569910  0.12569706  0.87843457
   0.56152410  0.46489407  0.61934220
   0.74343175  0.37338577  0.79508176
   0.60783301  0.68325456 -0.00133447
   0.93759931  0.60612563  0.38352875
   0.58486892  0.92365774  0.14197351
   0.81881007  0.85752500  0.26975805
   0.66824250  0.64792470  0.46438715
   0.85252001  0.61380321  0.87563044
   0.60225722  0.94752607  0.64295263
   0.82640225  0.86548213  0.75504189
   0.06398779  0.07624102  0.14144560
   0.32718673  0.21135556  0.29782721
   0.15624152  0.31074850  0.03242863
   0.34633552  0.45340604  0.35273350
   0.51974797  0.37141814  0.20532479
   0.25414952  0.44329044  0.18582536
   0.24668714  0.10902727  0.46198444
   0.00523716  0.17140461  0.38821804
   0.04505504  0.06424132  0.56948588
   0.44777056  0.26776611  0.77333013
   0.11087594  0.30666314  0.53005258
   0.33311186  0.47187494  0.85519426
   0.40570048  0.48712335  0.66819241
   0.18961553  0.35314602  0.71102786
   0.28702627  0.21310451 -0.10025096
   0.04147765  0.17658338  0.90310888
   0.06716993  0.55769663  0.07809383
   0.36290525  0.69955213  0.28624151
   0.08471644  0.83220868  0.04149318
   0.38215194  0.94700361  0.34730793
   0.41853131  0.92903902  0.16008895
   0.17448468  0.87078739  0.22110181
   0.34446191  0.66187466  0.47100085
   0.07252457  0.68291333  0.41666891
   0.13879182  0.55678146  0.58250160
   0.29126615  0.74627270  0.80412691
   0.15821447  0.81135403  0.56065480
   0.38685323  0.99843620  0.81514914
   0.44391387  0.91257500  0.64202653
   0.16612846  0.95357578  0.70617036
   0.26536163  0.67287190 -0.02351059
   0.01979908  0.65847635  0.90724253
   0.63153284  0.07453625  0.10396647
   0.80081342  0.21328156  0.26122280
   0.62390103  0.32156668  0.03369787
   0.97934182  0.44478574  0.36994108
   0.01002355  0.36218377  0.19300048
   0.75983080  0.44492482  0.16234974
   0.76280473  0.18226851  0.45994164
   0.50160429  0.11174715  0.45077550
   0.63476533  0.10238534  0.60533131
   0.82958965  0.22524510  0.79171269
   0.57074203  0.34216505  0.54676639
   0.86669135  0.45972299  0.84750486
   0.93303781  0.40774611  0.65996381
   0.68014295  0.42471983  0.69690137
   0.79312366  0.12693032  0.97053527
   0.54430786  0.11244449  0.92327911
   0.53834848  0.57089513  0.07512623
   0.87170488  0.71471520  0.30221630
   0.62872557  0.82056045  0.05347523
   0.83236449  0.97039232  0.35775589
   0.89363474  0.89347707  0.16603157
   0.66004737  0.85217112  0.23569756
   0.82836065  0.59041895  0.47182111
   0.57666161  0.56772827  0.38472293
   0.59691333  0.60740458  0.56488197
   0.82490275  0.70773085  0.77761572
   0.65867976  0.80548994  0.43219647
   0.91571282  0.96237717  0.83301113
   0.91172742  0.88262313  0.65527411
   0.66485518  0.91360744  0.75047932
   0.76409812  0.64893967  0.96258819
   0.51855667  0.67539586  0.89726241
   0.65590939  0.85536397  0.58018764
   0.71808858  0.85039585  0.45093903
   0.86253424  0.25364997  0.07393220
   1.00822517  0.42395764  0.30448516
   0.31734643  0.12789658  0.64503426
   0.23614831  0.69997331  0.75946894
  -0.04337625  1.12096128  0.12799776
   0.18584324  1.00393154  0.00992198
   0.62484166  0.38101373  0.86431805
   0.89536278  0.50609845  0.65161722
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758881    0.197343    0.113032
    -0.000000    9.886747    0.238152
    -0.000000    0.000000   14.155163
   Si   O    H 
    32    64    10
Direct configuration=  1095
   0.17037655  0.17053029 -0.02359609
   0.36270670  0.09971750  0.38346982
   0.12715586  0.41824692  0.11974449
   0.36236938  0.36405544  0.25234016
   0.08979642  0.16293035  0.48565365
   0.41805504  0.14350459  0.85637515
   0.10581191  0.39935217  0.61967219
   0.33831759  0.39619768  0.75109713
   0.10669049  0.67866515 -0.00059356
   0.41288542  0.59784190  0.37553878
   0.05335150  0.91101737  0.13746930
   0.33460822  0.85941782  0.25997552
   0.18862467  0.67176653  0.50995790
   0.34721586  0.63614664  0.88224327
   0.06554763  0.92144324  0.61807105
   0.32661301  0.99469377  0.70503909
   0.64041949  0.16558004  1.00586942
   0.84241201  0.13071871  0.36355194
   0.60783098  0.42949110  0.11367513
   0.84214284  0.31035131  0.17296034
   0.61375629  0.19147220  0.51112615
   0.89520877  0.12596981  0.87850185
   0.56272990  0.46418011  0.61948205
   0.74244577  0.37423599  0.79597251
   0.60817348  0.68195046 -0.00110185
   0.93837947  0.60468416  0.38347655
   0.58370090  0.92404283  0.14217822
   0.81833796  0.85708926  0.27000617
   0.66734228  0.64712994  0.46458956
   0.85394479  0.61321696  0.87525776
   0.60113376  0.94602523  0.64227627
   0.82723878  0.86615795  0.75592447
   0.06370326  0.07628970  0.14089547
   0.32625782  0.21192135  0.29833944
   0.15643817  0.31118319  0.03244709
   0.34565476  0.45353865  0.35355084
   0.51969904  0.37201280  0.20591256
   0.25582437  0.44122140  0.18618591
   0.24691447  0.10877505  0.46162916
   0.00438583  0.17049151  0.38890311
   0.04418512  0.06491949  0.57021943
   0.44572281  0.26823305  0.77269027
   0.11148779  0.30640958  0.53151341
   0.33289221  0.47158801  0.85592382
   0.40513559  0.48753785  0.66844858
   0.18819341  0.35127377  0.71120518
   0.28724310  0.21312644 -0.09995606
   0.04018631  0.17706442  0.90275052
   0.06931154  0.55688679  0.07918109
   0.36343467  0.69966082  0.28598306
   0.08521100  0.83127183  0.04118782
   0.38362618  0.94759276  0.34765027
   0.41764002  0.92944552  0.15997638
   0.17462399  0.86884913  0.22034674
   0.34474685  0.66120329  0.47113134
   0.07107134  0.68298330  0.41565365
   0.13965008  0.55556510  0.58365518
   0.29124220  0.74531571  0.80343153
   0.15698347  0.81274682  0.55984175
   0.38746376  0.99757670  0.81512751
   0.44479964  0.91040581  0.64196153
   0.16781587  0.95248669  0.70657128
   0.26299791  0.67246486 -0.02403822
   0.01705846  0.65739704  0.90707528
   0.63159973  0.07489398  0.10336310
   0.80061185  0.21203163  0.26188420
   0.62349143  0.32000016  0.03387955
   0.97661129  0.44623327  0.36901897
   0.00945058  0.36419320  0.19410769
   0.76053377  0.44574813  0.16186440
   0.76272213  0.18211831  0.46047332
   0.50264940  0.11219693  0.45118454
   0.63483522  0.10349797  0.60411051
   0.82820823  0.22404344  0.79115727
   0.57037126  0.34014309  0.54643371
   0.86663080  0.45859594  0.84729014
   0.93618805  0.40676990  0.66147390
   0.68039696  0.42424703  0.69686418
   0.79300502  0.12842900  0.97019249
   0.54167728  0.11086711  0.92285205
   0.53711789  0.57141413  0.07339538
   0.87151823  0.71520329  0.30353968
   0.62840093  0.81926927  0.05429912
   0.83251007  0.97159505  0.35866790
   0.89511321  0.89497282  0.16528470
   0.66138093  0.85158175  0.23689852
   0.83004437  0.59033361  0.47118902
   0.57567779  0.56958192  0.38500709
   0.59619282  0.60629924  0.56554965
   0.82409272  0.70821881  0.77873912
   0.65731964  0.80432853  0.43159056
   0.91484096  0.96181773  0.83527062
   0.91340865  0.88225582  0.65457942
   0.66574563  0.91368117  0.75166887
   0.76400151  0.64916101  0.96419510
   0.51771307  0.67593396  0.89679490
   0.65633977  0.85305859  0.58134717
   0.74332005  0.86598119  0.45802838
   0.85986130  0.25710019  0.07299086
   1.01083181  0.42471224  0.30421536
   0.31967875  0.12637358  0.65004340
   0.23443749  0.70513319  0.76159330
  -0.02604807  1.11898429  0.12797924
   0.18708142  1.00819263  0.00471672
   0.62249216  0.38355725  0.86323930
   0.89381249  0.50983776  0.64872203
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756550    0.193888    0.112926
    -0.000000    9.886435    0.236965
    -0.000000    0.000000   14.157265
   Si   O    H 
    32    64    10
Direct configuration=  1096
   0.17019452  0.16912566 -0.02328433
   0.36222357  0.09989804  0.38358762
   0.12687577  0.41816797  0.11960604
   0.36322056  0.36535352  0.25217587
   0.08963562  0.16247205  0.48558699
   0.41886740  0.14507908  0.85625006
   0.10464584  0.39874078  0.61946912
   0.33895824  0.39494657  0.75176902
   0.10763281  0.67806529 -0.00108176
   0.41209838  0.59769407  0.37511446
   0.05212532  0.91014113  0.13677849
   0.33444267  0.85782346  0.25983587
   0.18844566  0.67064152  0.51012191
   0.34770518  0.63711927  0.88220857
   0.06755883  0.92060837  0.61785979
   0.32566814  0.99458643  0.70440192
   0.63992625  0.16525587  1.00602168
   0.84193386  0.13079283  0.36337720
   0.60662119  0.42863142  0.11426197
   0.84238533  0.31084917  0.17278071
   0.61381593  0.19003795  0.51063394
   0.89459853  0.12624665  0.87807390
   0.56411206  0.46408509  0.61953021
   0.74176150  0.37487454  0.79637331
   0.60836983  0.68048404 -0.00093213
   0.93960931  0.60379603  0.38340154
   0.58264018  0.92484445  0.14191976
   0.81808396  0.85764534  0.27024988
   0.66705087  0.64595944  0.46437065
   0.85500425  0.61298268  0.87493183
   0.59956537  0.94443857  0.64192880
   0.82850505  0.86731276  0.75689239
   0.06401800  0.07634762  0.14021864
   0.32549257  0.21270464  0.29870392
   0.15679138  0.31152697  0.03273553
   0.34528198  0.45338668  0.35366342
   0.52007833  0.37226475  0.20601616
   0.25744756  0.43903456  0.18628184
   0.24781605  0.10878449  0.46130818
   0.00355054  0.16889381  0.39000321
   0.04322905  0.06528731  0.57060121
   0.44416752  0.26834030  0.77133768
   0.11186975  0.30594968  0.53231668
   0.33267300  0.47156025  0.85647342
   0.40517108  0.48851115  0.66896857
   0.18652594  0.34983150  0.71146301
   0.28749211  0.21241230 -0.09914004
   0.03953338  0.17717933  0.90246534
   0.07113541  0.55583140  0.07957759
   0.36406631  0.69889423  0.28537544
   0.08514481  0.83033603  0.04060246
   0.38471155  0.94810211  0.34776183
   0.41649037  0.92881821  0.15969771
   0.17462336  0.86750535  0.21950981
   0.34510607  0.66054860  0.47170258
   0.07039678  0.68275590  0.41536290
   0.14004453  0.55440205  0.58487609
   0.29152709  0.74413529  0.80328769
   0.15576539  0.81419079  0.55915933
   0.38793357  0.99627682  0.81447470
   0.44515262  0.90764697  0.64246587
   0.16847162  0.95190054  0.70696796
   0.26062508  0.67238003 -0.02444135
   0.01362025  0.65630164  0.90664810
   0.63142692  0.07473732  0.10300192
   0.80140946  0.21074717  0.26253187
   0.62327024  0.31895482  0.03410667
   0.97455873  0.44732645  0.36832634
   0.00874896  0.36618163  0.19485271
   0.75995958  0.44716547  0.16088517
   0.76438558  0.18230475  0.46049878
   0.50392705  0.11277752  0.45118235
   0.63591650  0.10409858  0.60383280
   0.82673803  0.22376333  0.79035439
   0.57005248  0.33876264  0.54613776
   0.86618117  0.45747772  0.84750287
   0.93917596  0.40677692  0.66270378
   0.68068507  0.42459924  0.69691601
   0.79330408  0.12990300  0.96980213
   0.54042433  0.10944984  0.92233232
   0.53603903  0.57174795  0.07143718
   0.87118379  0.71480958  0.30503009
   0.62851678  0.81832575  0.05587093
   0.83240056  0.97221131  0.35938619
   0.89595911  0.89638781  0.16457224
   0.66170947  0.85145584  0.23794117
   0.83094479  0.59084504  0.47074022
   0.57495572  0.57194361  0.38545123
   0.59584857  0.60532286  0.56690037
   0.82295094  0.70859860  0.77966046
   0.65642640  0.80389313  0.43097463
   0.91347895  0.96180655  0.83764034
   0.91530195  0.88233545  0.65372716
   0.66669592  0.91407039  0.75193988
   0.76390907  0.64858492  0.96552464
   0.51563501  0.67661845  0.89617195
   0.65919212  0.85038237  0.58036141
   0.75224672  0.87153468  0.46279880
   0.85944149  0.25492657  0.07801107
   1.01313714  0.42242763  0.30274151
   0.32045013  0.12890545  0.65268455
   0.22092854  0.70627162  0.75483450
  -0.01034289  1.12145040  0.12761951
   0.19096725  1.01990046  0.00005477
   0.62151233  0.38798533  0.86183640
   0.90210438  0.50105565  0.64604464
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754420    0.190343    0.113537
    -0.000000    9.886233    0.236283
    -0.000000    0.000000   14.159146
   Si   O    H 
    32    64    10
Direct configuration=  1097
   0.16990132  0.16795684 -0.02283425
   0.36109732  0.09973053  0.38353356
   0.12694350  0.41742083  0.11943647
   0.36436424  0.36617963  0.25237829
   0.09002440  0.16199364  0.48570818
   0.41885225  0.14663462  0.85601060
   0.10326488  0.39804714  0.61939629
   0.33941156  0.39398827  0.75246225
   0.10805286  0.67760005 -0.00206814
   0.41178013  0.59757933  0.37507911
   0.05152336  0.90943107  0.13623729
   0.33446304  0.85591577  0.25979339
   0.18793493  0.67025503  0.51013434
   0.34811448  0.63828026  0.88239395
   0.06917602  0.91950156  0.61791375
   0.32584534  0.99454228  0.70392570
   0.63921145  0.16483713  1.00555729
   0.84105712  0.13110021  0.36336767
   0.60543570  0.42786628  0.11503861
   0.84353520  0.31206382  0.17266375
   0.61422398  0.18932287  0.51022004
   0.89364072  0.12652537  0.87733279
   0.56541281  0.46333872  0.62007244
   0.74167707  0.37551547  0.79679024
   0.60774539  0.67878251 -0.00060387
   0.94141570  0.60290624  0.38316105
   0.58115277  0.92502027  0.14130742
   0.81756469  0.85808469  0.27076735
   0.66651350  0.64511652  0.46406557
   0.85707740  0.61291760  0.87514047
   0.59879621  0.94329095  0.64173172
   0.82999877  0.86936202  0.75749199
   0.06562998  0.07457450  0.13992888
   0.32487987  0.21332209  0.29843988
   0.15728821  0.31228708  0.03389771
   0.34495254  0.45298179  0.35344921
   0.52005665  0.37196307  0.20580404
   0.25855675  0.43710491  0.18666487
   0.24842978  0.10934382  0.46136429
   0.00333027  0.16697562  0.39121288
   0.04295228  0.06615900  0.57073793
   0.44310794  0.26827436  0.77028103
   0.11218070  0.30514331  0.53290300
   0.33262782  0.47234207  0.85703860
   0.40494442  0.48972835  0.66939065
   0.18590068  0.34847864  0.71148729
   0.28799471  0.21130915 -0.09797851
   0.03817524  0.17749411  0.90230327
   0.07290241  0.55449690  0.07981570
   0.36520995  0.69857542  0.28525484
   0.08491680  0.82963860  0.03980528
   0.38510223  0.94839672  0.34755574
   0.41533518  0.92845310  0.15978794
   0.17481911  0.86643447  0.21869179
   0.34441561  0.65959562  0.47219719
   0.07098736  0.68281684  0.41570244
   0.14024460  0.55292899  0.58583447
   0.29099292  0.74271215  0.80288579
   0.15500100  0.81446378  0.55809472
   0.38820444  0.99509976  0.81426312
   0.44564207  0.90511095  0.64273035
   0.16983830  0.95076131  0.70707178
   0.25983404  0.67211643 -0.02497084
   0.01023794  0.65498823  0.90578882
   0.63071219  0.07446201  0.10243067
   0.80192180  0.20975061  0.26325340
   0.62229406  0.31778307  0.03450828
   0.97299349  0.44873605  0.36689346
   0.00842230  0.36807477  0.19549806
   0.75871026  0.44877200  0.16013200
   0.76621427  0.18291820  0.46075594
   0.50491093  0.11372785  0.45068811
   0.63663318  0.10402621  0.60393092
   0.82527748  0.22345094  0.78993508
   0.56943321  0.33710855  0.54518745
   0.86546400  0.45616544  0.84811380
   0.94344326  0.40680016  0.66383125
   0.68116879  0.42548231  0.69683440
   0.79392383  0.13103897  0.96890730
   0.54002197  0.10900833  0.92263260
   0.53455454  0.57229146  0.06955500
   0.87087908  0.71386208  0.30714899
   0.62839213  0.81775348  0.05753992
   0.83256390  0.97328348  0.36003208
   0.89668914  0.89721855  0.16440760
   0.66204900  0.85155342  0.23862299
   0.83132904  0.59159419  0.47014068
   0.57375982  0.57399544  0.38544692
   0.59594240  0.60449639  0.56781793
   0.82260638  0.70925690  0.78124547
   0.65687693  0.80509740  0.43105127
   0.91275876  0.96232982  0.83954245
   0.91696766  0.88223299  0.65312064
   0.66818527  0.91443800  0.75232434
   0.76273905  0.64790525  0.96681940
   0.51336755  0.67726977  0.89550727
   0.66351222  0.84601699  0.57597991
   0.74476083  0.87104406  0.46254229
   0.85999298  0.25123857  0.08279367
   1.01172788  0.41902121  0.30390543
   0.32105903  0.13156128  0.65667844
   0.22003729  0.71167037  0.75457693
  -0.02099919  1.13776417  0.12266325
   0.19692075  1.03537749 -0.00653241
   0.62020245  0.39012360  0.86085053
   0.91521458  0.48577236  0.64235719
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752083    0.186879    0.114092
    -0.000000    9.885421    0.236093
    -0.000000    0.000000   14.160940
   Si   O    H 
    32    64    10
Direct configuration=  1098
   0.16933305  0.16811682 -0.02253934
   0.36053841  0.09996714  0.38334711
   0.12636176  0.41624635  0.11947094
   0.36577189  0.36686877  0.25271522
   0.09088179  0.16122404  0.48544193
   0.41882640  0.14889416  0.85576656
   0.10206374  0.39750597  0.61952185
   0.33955779  0.39377147  0.75310277
   0.10814187  0.67677271 -0.00239702
   0.41144077  0.59787848  0.37456405
   0.05104031  0.90847646  0.13631325
   0.33444783  0.85447081  0.25979293
   0.18677000  0.67044118  0.50971590
   0.34884436  0.63935503  0.88229755
   0.07059297  0.91831663  0.61840106
   0.32631592  0.99514367  0.70349031
   0.63901756  0.16340326  1.00490224
   0.83987874  0.13210250  0.36344048
   0.60414208  0.42785591  0.11584911
   0.84553921  0.31299033  0.17271444
   0.61474275  0.18887198  0.50974878
   0.89218206  0.12673298  0.87646089
   0.56583218  0.46269337  0.62094254
   0.74174578  0.37557533  0.79732445
   0.60634926  0.67788712 -0.00075144
   0.94204476  0.60288062  0.38289760
   0.57990138  0.92514128  0.14101897
   0.81709852  0.85865789  0.27140101
   0.66592088  0.64429096  0.46402654
   0.85930753  0.61236112  0.87533309
   0.59859531  0.94185426  0.64129507
   0.83154599  0.87168638  0.75822610
   0.06722836  0.07404776  0.13911748
   0.32526863  0.21328391  0.29766231
   0.15712107  0.31375352  0.03495491
   0.34441870  0.45273232  0.35344623
   0.51971130  0.37107663  0.20589050
   0.25918397  0.43537451  0.18668947
   0.24853794  0.11016355  0.46149253
   0.00362548  0.16492407  0.39256554
   0.04237961  0.06683839  0.57024117
   0.44293051  0.26787245  0.76975543
   0.11263955  0.30410656  0.53299644
   0.33289130  0.47370172  0.85748979
   0.40557118  0.49116684  0.66993798
   0.18623944  0.34699502  0.71207461
   0.28799472  0.21034591 -0.09686434
   0.03781580  0.17824532  0.90273767
   0.07432846  0.55479098  0.07925736
   0.36673005  0.69840325  0.28501984
   0.08354158  0.82839391  0.03920514
   0.38529162  0.94792306  0.34693611
   0.41427892  0.92868065  0.16025261
   0.17554198  0.86483833  0.21725299
   0.34383783  0.65829587  0.47241227
   0.07193083  0.68293215  0.41596183
   0.14073731  0.55131797  0.58648990
   0.29016452  0.74172047  0.80263166
   0.15451515  0.81468331  0.55699671
   0.38795081  0.99451823  0.81403506
   0.44432574  0.90282366  0.64300051
   0.17074160  0.94954796  0.70706787
   0.25918750  0.67143100 -0.02557983
   0.00591338  0.65373350  0.90499722
   0.63016993  0.07298000  0.10212657
   0.80140100  0.20930173  0.26340486
   0.62059640  0.31816562  0.03488112
   0.97160433  0.44971479  0.36506171
   0.00812661  0.36974005  0.19607519
   0.75668262  0.45065792  0.16017315
   0.76757082  0.18278413  0.46044461
   0.50523245  0.11445232  0.44979669
   0.63678261  0.10372102  0.60442118
   0.82395086  0.22367512  0.78960646
   0.56870428  0.33543653  0.54446304
   0.86441645  0.45539229  0.84914725
   0.94843211  0.40516514  0.66553467
   0.68108348  0.42626136  0.69683167
   0.79464802  0.13211832  0.96784746
   0.54050542  0.10856216  0.92299848
   0.53284756  0.57246101  0.06769331
   0.87062809  0.71260163  0.30914792
   0.62753381  0.81668029  0.05927581
   0.83223819  0.97346269  0.36039522
   0.89685747  0.89800428  0.16493367
   0.66257040  0.85174677  0.23963160
   0.83136834  0.59284454  0.46978052
   0.57232146  0.57638766  0.38529549
   0.59658375  0.60415720  0.56866529
   0.82194641  0.70953981  0.78271874
   0.65749369  0.80729529  0.43137340
   0.91163449  0.96263195  0.84134765
   0.91776829  0.88171468  0.65367873
   0.66880796  0.91538163  0.75201278
   0.76171216  0.64689498  0.96794141
   0.51141334  0.67865994  0.89540193
   0.66965860  0.84301924  0.57274826
   0.72510423  0.86141903  0.45768025
   0.86421391  0.24437887  0.08607148
   1.01067988  0.41376727  0.30569057
   0.32080208  0.13214341  0.65863420
   0.22379511  0.72090112  0.75701773
  -0.01632643  1.14839025  0.12039992
   0.20796979  1.03613371 -0.00829216
   0.62351666  0.38482423  0.86177599
   0.91426261  0.49716817  0.63454724
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.749677    0.183691    0.114571
    -0.000000    9.884460    0.235548
    -0.000000    0.000000   14.162565
   Si   O    H 
    32    64    10
Direct configuration=  1099
   0.16904242  0.16890598 -0.02231225
   0.36041914  0.10051401  0.38348296
   0.12644335  0.41467595  0.11979057
   0.36704159  0.36811043  0.25336954
   0.09247915  0.16101007  0.48525746
   0.41866954  0.15025223  0.85536941
   0.10139552  0.39726457  0.61980453
   0.33903958  0.39379129  0.75351601
   0.10755851  0.67638730 -0.00208135
   0.41030294  0.59856829  0.37405180
   0.05081356  0.90813826  0.13625299
   0.33431569  0.85304364  0.25974576
   0.18482500  0.67114860  0.50930798
   0.35000642  0.63977099  0.88216698
   0.07156504  0.91846011  0.61923879
   0.32739581  0.99571276  0.70310116
   0.63829021  0.16256903  1.00462557
   0.83837493  0.13362094  0.36398517
   0.60239434  0.42792330  0.11641688
   0.84839621  0.31415470  0.17352135
   0.61573287  0.18871051  0.50958821
   0.89132003  0.12696316  0.87531899
   0.56647759  0.46169577  0.62135599
   0.74133032  0.37532070  0.79806914
   0.60459199  0.67695012 -0.00079388
   0.94223171  0.60330770  0.38280336
   0.57916267  0.92447041  0.14041923
   0.81669826  0.85850029  0.27245381
   0.66601767  0.64375404  0.46438134
   0.86049862  0.61250993  0.87569286
   0.59933693  0.94038279  0.64047067
   0.83302518  0.87410435  0.75865316
   0.06835660  0.07444324  0.13782625
   0.32628686  0.21275335  0.29705698
   0.15654421  0.31459462  0.03555174
   0.34402987  0.45259216  0.35376588
   0.51892544  0.37105146  0.20582634
   0.25989555  0.43400368  0.18627356
   0.24878800  0.11136984  0.46147563
   0.00339280  0.16334524  0.39339628
   0.04148750  0.06713984  0.56980864
   0.44337466  0.26680386  0.76925323
   0.11319199  0.30228180  0.53287269
   0.33394120  0.47445180  0.85785211
   0.40650001  0.49250423  0.67063000
   0.18682211  0.34473166  0.71288527
   0.28820643  0.21002266 -0.09565512
   0.03862154  0.17953260  0.90371830
   0.07568809  0.55604528  0.07805853
   0.36899956  0.69723784  0.28464220
   0.08213815  0.82698736  0.03859851
   0.38608307  0.94748557  0.34567431
   0.41293484  0.92834169  0.16065766
   0.17591934  0.86313045  0.21541092
   0.34292134  0.65774498  0.47216244
   0.07371246  0.68251962  0.41651710
   0.14152102  0.55005930  0.58652290
   0.28875750  0.74042476  0.80264307
   0.15420151  0.81417663  0.55603527
   0.38788880  0.99478375  0.81353834
   0.44292483  0.90118049  0.64364757
   0.17163542  0.94722260  0.70735486
   0.25950555  0.67074215 -0.02566156
   0.00309599  0.65280456  0.90492041
   0.62849795  0.07246432  0.10157729
   0.80081282  0.20862947  0.26348688
   0.61916373  0.31749640  0.03496971
   0.96964490  0.45017807  0.36367890
   0.00720169  0.37129645  0.19607941
   0.75511745  0.45204890  0.16021524
   0.76913951  0.18251086  0.46041551
   0.50539721  0.11570145  0.44861511
   0.63682306  0.10270897  0.60535267
   0.82332407  0.22443565  0.78965853
   0.56796034  0.33443901  0.54407126
   0.86303385  0.45454600  0.84990561
   0.95260147  0.40526983  0.66657433
   0.68093246  0.42716233  0.69640979
   0.79515938  0.13343091  0.96640608
   0.54091135  0.10889745  0.92303895
   0.53108537  0.57086299  0.06659732
   0.87036156  0.71093556  0.31043668
   0.62649618  0.81568051  0.06102914
   0.83365344  0.97243138  0.36037968
   0.89644677  0.89907123  0.16602491
   0.66280327  0.85263969  0.24016256
   0.83026858  0.59320063  0.46927305
   0.57095404  0.57824305  0.38537381
   0.59715878  0.60429712  0.56925032
   0.82066071  0.70970072  0.78370089
   0.65793851  0.80833875  0.43170906
   0.91006956  0.96324313  0.84299317
   0.91878957  0.88048545  0.65447704
   0.66924400  0.91628089  0.75131205
   0.76106759  0.64515884  0.96886749
   0.50974080  0.67961779  0.89588566
   0.67244818  0.84307120  0.57429935
   0.71225068  0.85523563  0.45596057
   0.86733290  0.23427348  0.08818670
   1.00736009  0.40854117  0.30518260
   0.31920085  0.12818030  0.65872879
   0.22529278  0.72901679  0.75659679
  -0.00048733  1.14844964  0.12022023
   0.22133894  1.02510308 -0.00613947
   0.62692419  0.37444670  0.86204431
   0.91472387  0.49693415  0.63137778
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.747384    0.180575    0.115226
    -0.000000    9.883372    0.235002
    -0.000000    0.000000   14.164306
   Si   O    H 
    32    64    10
Direct configuration=  1100
   0.16850378  0.16987372 -0.02180327
   0.36063428  0.10139874  0.38341948
   0.12708639  0.41364867  0.12032724
   0.36810433  0.36903629  0.25426627
   0.09473936  0.16052659  0.48517620
   0.41878011  0.15138507  0.85464295
   0.10168337  0.39733812  0.61984163
   0.33820947  0.39404411  0.75403805
   0.10649868  0.67580355 -0.00187052
   0.40932180  0.59934175  0.37367855
   0.05102980  0.90793325  0.13611931
   0.33383107  0.85171761  0.25937494
   0.18242554  0.67158016  0.50872365
   0.35095407  0.63965296  0.88183968
   0.07235297  0.91916282  0.62031117
   0.32820929  0.99692406  0.70286200
   0.63766320  0.16174078  1.00414918
   0.83794452  0.13573953  0.36450363
   0.60102399  0.42843082  0.11668745
   0.85122346  0.31485738  0.17411135
   0.61571091  0.18855796  0.50955388
   0.88980220  0.12773079  0.87385497
   0.56606618  0.46033363  0.62173091
   0.74118282  0.37478244  0.79871632
   0.60334562  0.67648533 -0.00100462
   0.94227906  0.60259167  0.38329049
   0.57928059  0.92295538  0.13982558
   0.81586701  0.85776553  0.27397577
   0.66638447  0.64318245  0.46459353
   0.86167858  0.61305551  0.87596261
   0.60040608  0.93900012  0.64001153
   0.83470828  0.87679670  0.75866319
   0.06991774  0.07467491  0.13637490
   0.32699532  0.21218997  0.29667528
   0.15581646  0.31545096  0.03575188
   0.34441300  0.45278106  0.35373145
   0.51764788  0.37086883  0.20572329
   0.26063445  0.43290106  0.18516977
   0.24923676  0.11164397  0.46157911
   0.00287661  0.16186033  0.39388174
   0.04002688  0.06751665  0.56923564
   0.44408469  0.26527539  0.76856159
   0.11387429  0.30092684  0.53258131
   0.33374471  0.47544479  0.85836825
   0.40900840  0.49328037  0.67113631
   0.18736324  0.34197653  0.71385997
   0.28770947  0.20979063 -0.09472833
   0.03902395  0.17962168  0.90466198
   0.07670608  0.55760610  0.07641517
   0.37116676  0.69640125  0.28399868
   0.08051853  0.82619808  0.03733924
   0.38668453  0.94770217  0.34372248
   0.41202148  0.92790554  0.16115865
   0.17599002  0.86139587  0.21397023
   0.34152306  0.65688444  0.47196107
   0.07575753  0.68125863  0.41759589
   0.14208732  0.54967156  0.58626866
   0.28800919  0.73919661  0.80308662
   0.15482240  0.81397858  0.55497081
   0.38830863  0.99493558  0.81294823
   0.44072989  0.90062866  0.64462243
   0.17270369  0.94448584  0.70755060
   0.26072712  0.67001591 -0.02602120
   0.00310459  0.65106049  0.90603476
   0.62726194  0.07121505  0.10122776
   0.80055608  0.20790805  0.26313948
   0.61849808  0.31705267  0.03534547
   0.96884377  0.45042857  0.36234412
   0.00698959  0.37198217  0.19562946
   0.75405664  0.45379056  0.16061700
   0.77058191  0.18178816  0.46056418
   0.50485374  0.11703118  0.44740207
   0.63647359  0.10066189  0.60681606
   0.82331546  0.22503963  0.79012780
   0.56782942  0.33434434  0.54374762
   0.86132926  0.45430972  0.85036926
   0.95533922  0.40580324  0.66764637
   0.68110860  0.42784138  0.69658921
   0.79565955  0.13484853  0.96551790
   0.54173855  0.10838832  0.92281546
   0.52997363  0.56836839  0.06591501
   0.87079875  0.70933971  0.31130512
   0.62524855  0.81504604  0.06270661
   0.83433061  0.97064479  0.36025569
   0.89509510  0.90042369  0.16783888
   0.66199572  0.85291442  0.24069795
   0.82870767  0.59451160  0.46970341
   0.57029938  0.58004776  0.38540297
   0.59791751  0.60553901  0.56926214
   0.81977153  0.70976105  0.78440808
   0.65575361  0.80746053  0.43111735
   0.90860003  0.96438177  0.84445725
   0.91937191  0.87921671  0.65533204
   0.66902617  0.91730497  0.75050816
   0.76047591  0.64407173  0.96983614
   0.50870511  0.67984894  0.89650312
   0.67632595  0.84585644  0.57957082
   0.72877852  0.87758483  0.46794349
   0.87148884  0.22553927  0.09017276
   1.00580457  0.40217070  0.30522682
   0.32030202  0.12751825  0.65678628
   0.21699382  0.73400306  0.75257781
   0.01383182  1.14430135  0.12021188
   0.23283006  1.01304789 -0.00087365
   0.62484106  0.36344006  0.86379061
   0.91463598  0.48313237  0.63341738
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.745354    0.177475    0.115147
    -0.000000    9.882067    0.233942
    -0.000000    0.000000   14.165825
   Si   O    H 
    32    64    10
Direct configuration=  1101
   0.16858850  0.17049003 -0.02178934
   0.36114025  0.10246329  0.38328868
   0.12794009  0.41265034  0.12052777
   0.36874522  0.36931233  0.25533736
   0.09735278  0.15993256  0.48539144
   0.41823109  0.15222866  0.85335510
   0.10243810  0.39768417  0.61930506
   0.33769838  0.39458271  0.75452151
   0.10462743  0.67512947 -0.00192029
   0.40891122  0.59960640  0.37361715
   0.05203311  0.90795582  0.13562488
   0.33307713  0.85072418  0.25847415
   0.18067705  0.67146023  0.50803294
   0.35208105  0.63981398  0.88134217
   0.07318256  0.92025110  0.62066325
   0.32953262  0.99785735  0.70332621
   0.63771145  0.16131573  1.00354394
   0.83843659  0.13725439  0.36497501
   0.59946680  0.42905312  0.11652249
   0.85395545  0.31470596  0.17508268
   0.61554881  0.18912964  0.50950486
   0.88904541  0.12801223  0.87244176
   0.56572591  0.45901609  0.62187050
   0.74133704  0.37419537  0.79956359
   0.60178863  0.67656818 -0.00156872
   0.94279651  0.60176702  0.38395791
   0.57975214  0.92099949  0.13980559
   0.81475299  0.85697294  0.27553697
   0.66665150  0.64300967  0.46457515
   0.86149476  0.61372279  0.87589669
   0.60161015  0.93801538  0.63956774
   0.83660417  0.87913632  0.75878818
   0.07235321  0.07399878  0.13485483
   0.32794608  0.21149581  0.29596684
   0.15521070  0.31562373  0.03660463
   0.34415595  0.45276102  0.35323623
   0.51595057  0.36976334  0.20589803
   0.26060466  0.43215074  0.18333825
   0.24983288  0.11158320  0.46228266
   0.00258827  0.16074091  0.39422391
   0.03823836  0.06792987  0.56877178
   0.44554131  0.26426418  0.76809342
   0.11528220  0.29955752  0.53238880
   0.33406294  0.47664576  0.85833101
   0.41122849  0.49455952  0.67099258
   0.18845535  0.33941981  0.71488477
   0.28725972  0.20980017 -0.09359245
   0.03971260  0.18001309  0.90582607
   0.07813332  0.55910224  0.07494586
   0.37267529  0.69548819  0.28278819
   0.07901949  0.82564231  0.03661446
   0.38723542  0.94829304  0.34186668
   0.41111091  0.92778200  0.16198560
   0.17679078  0.86023625  0.21273797
   0.34053057  0.65599679  0.47182818
   0.07780500  0.68097005  0.41869782
   0.14236728  0.54985120  0.58639080
   0.28703058  0.73695276  0.80311667
   0.15471568  0.81398965  0.55421110
   0.38888739  0.99583096  0.81244253
   0.43789351  0.90058475  0.64561118
   0.17350341  0.94145865  0.70757944
   0.26331664  0.66985756 -0.02602811
   0.00462099  0.64944291  0.90718548
   0.62638942  0.07022539  0.10093876
   0.80095629  0.20683041  0.26240433
   0.61745044  0.31746645  0.03529197
   0.96814133  0.45042537  0.36063895
   0.00701350  0.37225894  0.19537034
   0.75310529  0.45461239  0.16078695
   0.77104262  0.18188875  0.46094884
   0.50422998  0.11891197  0.44579611
   0.63606323  0.09840505  0.60814507
   0.82288370  0.22540760  0.79037407
   0.56719728  0.33548641  0.54332260
   0.86089194  0.45394128  0.85045246
   0.95707810  0.40699820  0.66802862
   0.68146310  0.42905195  0.69720542
   0.79607289  0.13641761  0.96521415
   0.54301256  0.10822999  0.92278404
   0.52907547  0.56602216  0.06592863
   0.87080231  0.70710579  0.31162937
   0.62376952  0.81488600  0.06382505
   0.83517970  0.96839509  0.35994086
   0.89380506  0.90170210  0.16997050
   0.66076726  0.85360247  0.24081999
   0.82629211  0.59506877  0.47039078
   0.56905409  0.58182559  0.38517604
   0.59896395  0.60706856  0.56942161
   0.81915903  0.70965510  0.78492568
   0.65400669  0.80731656  0.43130699
   0.90716130  0.96528447  0.84526722
   0.91987161  0.87810603  0.65641461
   0.66843373  0.91826359  0.74965663
   0.75992237  0.64361048  0.97017413
   0.50849098  0.67954345  0.89737323
   0.67796639  0.84604971  0.58566985
   0.73083646  0.88732910  0.47239256
   0.87510476  0.21785831  0.09580202
   1.00111073  0.40112629  0.30712537
   0.31929853  0.12835649  0.65518304
   0.21438048  0.73575965  0.75613958
   0.01493361  1.15042401  0.11451732
   0.24054214  1.00732686  0.00474121
   0.62588918  0.35482273  0.86702654
   0.91315333  0.47134032  0.63513633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.743290    0.174204    0.114880
    -0.000000    9.880903    0.232462
    -0.000000    0.000000   14.167550
   Si   O    H 
    32    64    10
Direct configuration=  1102
   0.16918050  0.17089674 -0.02188100
   0.36140794  0.10294974  0.38309386
   0.12831391  0.41205107  0.12065230
   0.36960828  0.36939951  0.25683303
   0.10019352  0.15917758  0.48545123
   0.41738783  0.15254711  0.85230797
   0.10363513  0.39770854  0.61885515
   0.33766310  0.39565645  0.75475427
   0.10203876  0.67418381 -0.00204905
   0.40840589  0.60049414  0.37342265
   0.05354094  0.90759365  0.13531049
   0.33207276  0.85043402  0.25715505
   0.17943432  0.67136805  0.50719523
   0.35284717  0.64039392  0.88055763
   0.07382079  0.92076881  0.62105853
   0.33028920  0.99878546  0.70391401
   0.63798306  0.16105934  1.00269469
   0.83876091  0.13857835  0.36510971
   0.59897651  0.42999838  0.11619820
   0.85615280  0.31464800  0.17613830
   0.61513677  0.18982086  0.50906311
   0.88841781  0.12830022  0.87144812
   0.56524584  0.45875965  0.62207537
   0.74158597  0.37339312  0.80021929
   0.60063163  0.67697056 -0.00202032
   0.94385548  0.60113760  0.38450085
   0.57979702  0.91959981  0.13958866
   0.81367803  0.85644293  0.27722855
   0.66649397  0.64317187  0.46452728
   0.86108174  0.61389036  0.87608073
   0.60258081  0.93741984  0.63906932
   0.83814888  0.88135329  0.75908289
   0.07441010  0.07338233  0.13362810
   0.32917394  0.21089644  0.29518209
   0.15427665  0.31528110  0.03784574
   0.34468842  0.45415256  0.35266027
   0.51397770  0.36921479  0.20590562
   0.26016203  0.43116689  0.18169489
   0.25064667  0.11140758  0.46261054
   0.00236739  0.16030793  0.39397384
   0.03695919  0.06767848  0.56898370
   0.44664504  0.26401140  0.76821440
   0.11659621  0.29914178  0.53257308
   0.33427775  0.47776514  0.85807821
   0.41259305  0.49586876  0.67087793
   0.18985992  0.33689168  0.71597284
   0.28687981  0.21050076 -0.09203846
   0.03968383  0.18023656  0.90660981
   0.07970120  0.56067309  0.07342643
   0.37504371  0.69516851  0.28215933
   0.07640743  0.82488461  0.03662375
   0.38753958  0.94950845  0.34012800
   0.41077113  0.92752154  0.16274823
   0.17696399  0.85867740  0.21178414
   0.33952693  0.65389420  0.47225885
   0.07987243  0.68059885  0.41972895
   0.14350383  0.55074505  0.58638084
   0.28601070  0.73497170  0.80270346
   0.15392928  0.81479948  0.55427446
   0.39043001  0.99666901  0.81225673
   0.43575559  0.90082929  0.64690739
   0.17432990  0.93939721  0.70747944
   0.26510202  0.66991860 -0.02594379
   0.00750976  0.64795955  0.90844255
   0.62627945  0.06962456  0.10084802
   0.80097110  0.20604895  0.26160616
   0.61680045  0.31808634  0.03492352
   0.96756306  0.45016838  0.35907226
   0.00696704  0.37213258  0.19526409
   0.75271167  0.45470181  0.16075680
   0.77025968  0.18173481  0.46141613
   0.50381090  0.12098842  0.44366229
   0.63569432  0.09637253  0.60964994
   0.82239799  0.22591243  0.79063382
   0.56760705  0.33692043  0.54223856
   0.86014604  0.45486809  0.85066025
   0.95910336  0.40706879  0.66848998
   0.68197931  0.43008110  0.69802552
   0.79506711  0.13905079  0.96508065
   0.54366274  0.10835412  0.92306831
   0.52781382  0.56293444  0.06634427
   0.87143245  0.70558927  0.31146383
   0.62240424  0.81498494  0.06433067
   0.83618378  0.96545460  0.35929531
   0.89263136  0.90118357  0.17247454
   0.65939261  0.85437943  0.24093818
   0.82414277  0.59554650  0.47126706
   0.56833958  0.58306612  0.38491571
   0.59986195  0.60902837  0.56883673
   0.81852719  0.70993530  0.78452648
   0.65262466  0.80789781  0.43210782
   0.90544520  0.96578530  0.84548679
   0.91937586  0.87647447  0.65776378
   0.66716858  0.91914046  0.74819917
   0.75883298  0.64315009  0.97022147
   0.50900382  0.67907997  0.89874886
   0.67972898  0.84344423  0.59064907
   0.72530421  0.88793542  0.46989312
   0.87661381  0.21658242  0.10084953
   1.00212806  0.39894204  0.30817168
   0.31961820  0.12731387  0.65348487
   0.21264165  0.73801255  0.75690370
   0.01113257  1.15171879  0.10656743
   0.24794199  1.01251579  0.00994512
   0.62702868  0.34811645  0.87100693
   0.89849828  0.47653092  0.62769587
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.741037    0.170974    0.114218
    -0.000000    9.879798    0.231058
    -0.000000    0.000000   14.169175
   Si   O    H 
    32    64    10
Direct configuration=  1103
   0.16963511  0.17077956 -0.02208648
   0.36236422  0.10304381  0.38255460
   0.12809537  0.41205488  0.12097225
   0.37025079  0.36888075  0.25876101
   0.10249121  0.15871730  0.48558290
   0.41679225  0.15276206  0.85194993
   0.10497421  0.39802098  0.61802793
   0.33813468  0.39710415  0.75488538
   0.10004810  0.67360104 -0.00220346
   0.40743294  0.60183016  0.37302614
   0.05516609  0.90697343  0.13480302
   0.33125107  0.85003987  0.25547586
   0.17844447  0.67117025  0.50688802
   0.35338792  0.64013910  0.87982746
   0.07488402  0.92178488  0.62066336
   0.33042648  0.99987442  0.70494354
   0.63847349  0.16086738  1.00203700
   0.83898598  0.13923733  0.36544492
   0.59802380  0.43144913  0.11619207
   0.85749874  0.31455088  0.17716205
   0.61455126  0.18975892  0.50882416
   0.88785781  0.12860769  0.87091709
   0.56418386  0.45889035  0.62243480
   0.74170287  0.37231153  0.80086724
   0.59987939  0.67785034 -0.00221428
   0.94430739  0.60080548  0.38504653
   0.58002827  0.91795388  0.13979051
   0.81305492  0.85644821  0.27848560
   0.66617984  0.64368236  0.46406004
   0.86072411  0.61461712  0.87592734
   0.60374730  0.93685658  0.63885218
   0.83815650  0.88270260  0.75918881
   0.07597309  0.07332838  0.13291235
   0.33091633  0.21087959  0.29461917
   0.15369047  0.31496456  0.03904565
   0.34537559  0.45505437  0.35266676
   0.51279322  0.36834618  0.20559017
   0.26020835  0.43018505  0.18059556
   0.25115613  0.11153139  0.46360816
   0.00154671  0.15985528  0.39380417
   0.03573664  0.06700726  0.56878546
   0.44751409  0.26401553  0.76800370
   0.11811355  0.29898931  0.53299730
   0.33522382  0.47905297  0.85773558
   0.41419269  0.49744730  0.67070635
   0.19140675  0.33477498  0.71759736
   0.28687615  0.21195315 -0.09114421
   0.03918639  0.18079383  0.90732788
   0.08193317  0.56094181  0.07257136
   0.37689801  0.69569960  0.28109479
   0.07343029  0.82436200  0.03664858
   0.38768553  0.94966344  0.33884264
   0.41141457  0.92707899  0.16314716
   0.17662559  0.85767282  0.21116764
   0.33864622  0.65234224  0.47178005
   0.08137559  0.67925666  0.42057732
   0.14422408  0.55126796  0.58649028
   0.28526876  0.73397372  0.80170172
   0.15276054  0.81600993  0.55435621
   0.39134024  0.99785327  0.81226886
   0.43372842  0.90170881  0.64802417
   0.17503944  0.93712496  0.70785829
   0.26684189  0.67060799 -0.02538381
   0.01037263  0.64731849  0.90968008
   0.62632506  0.06927996  0.10063019
   0.80044301  0.20531012  0.26069212
   0.61662406  0.31797244  0.03455917
   0.96682066  0.44984126  0.35821691
   0.00663119  0.37170949  0.19525225
   0.75264770  0.45500954  0.16064351
   0.76990985  0.18191027  0.46189434
   0.50283478  0.12245712  0.44132135
   0.63445039  0.09402624  0.61039618
   0.82264399  0.22644131  0.79138958
   0.56890019  0.33803465  0.54101348
   0.85971876  0.45683326  0.85074130
   0.95893494  0.40759021  0.66840306
   0.68236251  0.43066141  0.69881922
   0.79420783  0.14114662  0.96517277
   0.54471385  0.10788570  0.92315879
   0.52668903  0.56031176  0.06679233
   0.87291990  0.70540037  0.31137792
   0.62162561  0.81472475  0.06428582
   0.83692606  0.96334959  0.35843516
   0.89136123  0.90068448  0.17474184
   0.65733415  0.85560504  0.24067643
   0.82264535  0.59532392  0.47228352
   0.56807236  0.58398751  0.38426960
   0.60072574  0.61151918  0.56862882
   0.81795594  0.71090724  0.78415545
   0.65139421  0.80876440  0.43310343
   0.90397478  0.96641177  0.84507743
   0.91944800  0.87500658  0.65851341
   0.66694188  0.92088196  0.74669608
   0.75784956  0.64316181  0.97006777
   0.50990878  0.67915422  0.89996290
   0.68422656  0.83649781  0.59400472
   0.70974671  0.87779276  0.46069143
   0.87559581  0.21860731  0.10653848
   1.00687081  0.39465304  0.30642606
   0.32139166  0.12539756  0.64998104
   0.21112264  0.73966821  0.75829138
   0.01279018  1.14617596  0.10290573
   0.24741048  1.02548377  0.01455375
   0.63314709  0.34651202  0.87488225
   0.89055744  0.47365470  0.62482403
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.738711    0.168009    0.112970
    -0.000000    9.878871    0.229744
    -0.000000    0.000000   14.170622
   Si   O    H 
    32    64    10
Direct configuration=  1104
   0.16966329  0.17069052 -0.02187913
   0.36382166  0.10222983  0.38221613
   0.12742814  0.41278407  0.12096293
   0.36992551  0.36817365  0.26071361
   0.10371947  0.15896727  0.48585568
   0.41692381  0.15251670  0.85138438
   0.10633361  0.39818800  0.61771329
   0.33885926  0.39862433  0.75537940
   0.09875802  0.67348430 -0.00228901
   0.40675256  0.60288351  0.37258882
   0.05690226  0.90578563  0.13460892
   0.33097620  0.84990127  0.25327852
   0.17778683  0.67072017  0.50699345
   0.35373346  0.63980537  0.87947222
   0.07566972  0.92312643  0.62066711
   0.33080007  1.00011871  0.70582373
   0.63907873  0.16059769  1.00151634
   0.83984309  0.13993142  0.36561294
   0.59698653  0.43311973  0.11661647
   0.85822007  0.31525390  0.17855790
   0.61397927  0.18932206  0.50878341
   0.88779055  0.12916962  0.87030213
   0.56326964  0.45936712  0.62253649
   0.74087942  0.37068889  0.80159632
   0.59941336  0.67859164 -0.00271093
   0.94403457  0.60066432  0.38541876
   0.58000324  0.91705027  0.14011509
   0.81248652  0.85666372  0.27933886
   0.66570875  0.64493441  0.46366141
   0.86038856  0.61562332  0.87624912
   0.60503263  0.93588162  0.63920292
   0.83812873  0.88320254  0.75916116
   0.07722346  0.07426812  0.13251916
   0.33334220  0.21068637  0.29418730
   0.15305367  0.31439935  0.03978846
   0.34581012  0.45631768  0.35285808
   0.51103715  0.36724016  0.20526935
   0.26073490  0.42894097  0.17984843
   0.25183991  0.11125180  0.46436678
   0.00022383  0.15939156  0.39344294
   0.03428101  0.06652394  0.56887517
   0.44816620  0.26429712  0.76748747
   0.11952688  0.29994387  0.53344465
   0.33626185  0.47990600  0.85662729
   0.41534802  0.49826578  0.66989361
   0.19303275  0.33250878  0.71871282
   0.28782919  0.21354600 -0.09025076
   0.03954309  0.18049841  0.90770995
   0.08370515  0.56137233  0.07248616
   0.37887558  0.69623666  0.28003914
   0.07052403  0.82444873  0.03722293
   0.38760373  0.94982702  0.33733757
   0.41224400  0.92649034  0.16352578
   0.17649614  0.85687450  0.21039943
   0.33700087  0.65036717  0.47131798
   0.08193598  0.67767740  0.42098554
   0.14508402  0.55187226  0.58649543
   0.28440003  0.73310668  0.80051147
   0.15278398  0.81682561  0.55366487
   0.39173809  1.00007027  0.81211642
   0.43184542  0.90238638  0.64827226
   0.17606895  0.93419953  0.70817878
   0.26874840  0.67079485 -0.02460137
   0.01317966  0.64703311  0.91079926
   0.62652547  0.06970048  0.10001237
   0.79912084  0.20449510  0.26047655
   0.61557982  0.31830073  0.03436206
   0.96671333  0.44902143  0.35743556
   0.00643256  0.37108915  0.19562688
   0.75254182  0.45514480  0.16061193
   0.76890961  0.18153201  0.46265065
   0.50236932  0.12362312  0.43882314
   0.63237911  0.09190874  0.61033682
   0.82290573  0.22633881  0.79149291
   0.57031858  0.33946565  0.53975270
   0.85969988  0.45860375  0.85103118
   0.95845941  0.40937748  0.66835712
   0.68200062  0.43140843  0.69984222
   0.79299570  0.14293480  0.96550947
   0.54484720  0.10765551  0.92334458
   0.52495382  0.55802643  0.06710109
   0.87320736  0.70564510  0.31118868
   0.62116986  0.81345675  0.06357705
   0.83834455  0.96190657  0.35743068
   0.89029774  0.90062881  0.17695424
   0.65478329  0.85713766  0.23959408
   0.82212738  0.59379372  0.47304117
   0.56831695  0.58423779  0.38362244
   0.60177430  0.61307206  0.56873892
   0.81745891  0.71131674  0.78376028
   0.64999597  0.80977734  0.43416551
   0.90334077  0.96693363  0.84439006
   0.92002833  0.87373283  0.65958496
   0.66789780  0.92259928  0.74490967
   0.75746775  0.64242124  0.97002608
   0.51088133  0.67901622  0.90085075
   0.69043469  0.82895606  0.59444047
   0.69448396  0.86274560  0.45376971
   0.87343289  0.21979503  0.10809455
   1.00771743  0.39782812  0.30615844
   0.32307514  0.12583720  0.64499649
   0.20664985  0.74321756  0.75954151
   0.01653137  1.13586837  0.10268133
   0.24210446  1.04640337  0.01559725
   0.63940626  0.34982421  0.87290260
   0.89480313  0.46420054  0.63030668
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.735876    0.165287    0.111490
    -0.000000    9.878012    0.228433
    -0.000000    0.000000   14.172403
   Si   O    H 
    32    64    10
Direct configuration=  1105
   0.16923794  0.16979522 -0.02186107
   0.36518120  0.10181929  0.38184439
   0.12698309  0.41326192  0.12094032
   0.36931450  0.36709846  0.26219461
   0.10399919  0.15959453  0.48546221
   0.41736552  0.15190936  0.85111258
   0.10735028  0.39818711  0.61766271
   0.34005267  0.40004812  0.75633373
   0.09780776  0.67396687 -0.00185560
   0.40620223  0.60386734  0.37196137
   0.05787174  0.90510369  0.13415541
   0.33113994  0.85006411  0.25115041
   0.17716555  0.67042134  0.50728889
   0.35352259  0.64018316  0.87921907
   0.07629698  0.92342983  0.62047909
   0.33098658  1.00051086  0.70671431
   0.63947460  0.16076960  1.00178374
   0.84112343  0.13949263  0.36600836
   0.59695368  0.43439220  0.11706550
   0.85816462  0.31616895  0.17990232
   0.61361873  0.18806551  0.50877178
   0.88829729  0.12943796  0.86984628
   0.56244086  0.46025691  0.62221027
   0.74071376  0.36898962  0.80192573
   0.59954744  0.67920086 -0.00314496
   0.94300106  0.60098914  0.38622787
   0.58052679  0.91653021  0.14023250
   0.81260233  0.85646913  0.27962156
   0.66547666  0.64626784  0.46348654
   0.85991188  0.61631070  0.87643167
   0.60602509  0.93421079  0.63933302
   0.83733218  0.88354575  0.75910027
   0.07839359  0.07427678  0.13228417
   0.33565878  0.21083414  0.29311064
   0.15205883  0.31226678  0.04002081
   0.34733867  0.45767775  0.35278327
   0.51053992  0.36575683  0.20432787
   0.26087128  0.42723892  0.17990526
   0.25247704  0.10959791  0.46484882
  -0.00007800  0.15819695  0.39300686
   0.03306242  0.06650612  0.56902494
   0.44864600  0.26463629  0.76714191
   0.12037812  0.30038151  0.53366479
   0.33713183  0.48066911  0.85547916
   0.41617182  0.49866832  0.66951494
   0.19469787  0.33101520  0.71934896
   0.28980585  0.21591051 -0.08910875
   0.03963058  0.18011474  0.90781895
   0.08502528  0.56103240  0.07259558
   0.38040872  0.69710559  0.27884487
   0.06830917  0.82578036  0.03730930
   0.38744925  0.94963897  0.33613748
   0.41289959  0.92674169  0.16368932
   0.17587628  0.85444182  0.20995892
   0.33638234  0.64951851  0.47073833
   0.08216238  0.67686473  0.42113357
   0.14584599  0.55188085  0.58650516
   0.28445851  0.73253001  0.79971992
   0.15398996  0.81734168  0.55339908
   0.39225438  1.00269506  0.81158766
   0.43082049  0.90262407  0.64848140
   0.17661385  0.93130786  0.70847907
   0.27012686  0.67122387 -0.02368824
   0.01546784  0.64709173  0.91165580
   0.62588755  0.07109719  0.09934155
   0.79801025  0.20427647  0.26066864
   0.61464160  0.31900597  0.03411757
   0.96682738  0.44716918  0.35653910
   0.00708609  0.37045569  0.19560917
   0.75218801  0.45399954  0.16065272
   0.76696802  0.18072409  0.46373007
   0.50183719  0.12377155  0.43658998
   0.62956970  0.09032230  0.60982245
   0.82364424  0.22537528  0.79159770
   0.57075562  0.34088348  0.53878073
   0.85929691  0.46003014  0.85094260
   0.95721795  0.41040083  0.66848730
   0.68174533  0.43231720  0.70062438
   0.79266811  0.14488572  0.96540979
   0.54408997  0.10751682  0.92330184
   0.52264537  0.55683324  0.06715572
   0.87323587  0.70611072  0.31058151
   0.62078639  0.81179257  0.06192443
   0.83998690  0.96175014  0.35666827
   0.88952443  0.89990235  0.17869664
   0.65354630  0.85882891  0.23957327
   0.82158315  0.59253609  0.47305267
   0.56835192  0.58427471  0.38309044
   0.60194972  0.61358862  0.56842878
   0.81824455  0.71234670  0.78333978
   0.64674054  0.80670036  0.43401442
   0.90277346  0.96780393  0.84413337
   0.92113534  0.87222063  0.66056581
   0.66964777  0.92409872  0.74323562
   0.75804067  0.64150048  0.96980014
   0.51110454  0.67880332  0.90198858
   0.69804079  0.82525326  0.59157954
   0.71851588  0.89130331  0.46254717
   0.87363704  0.21973748  0.10715189
   1.01257547  0.40141113  0.30581079
   0.32542061  0.12156847  0.64286594
   0.20350155  0.74372498  0.76081037
   0.01494816  1.13334681  0.10099168
   0.23825826  1.06687265  0.01606196
   0.64275588  0.35741760  0.87007675
   0.89700352  0.45592380  0.63422352
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.732715    0.162073    0.110859
    -0.000000    9.877134    0.226791
    -0.000000    0.000000   14.173940
   Si   O    H 
    32    64    10
Direct configuration=  1106
   0.16877623  0.16948384 -0.02189037
   0.36638084  0.10147315  0.38145847
   0.12651925  0.41465242  0.12064026
   0.36840368  0.36617326  0.26372865
   0.10283941  0.15984951  0.48532024
   0.41802420  0.15163172  0.85140367
   0.10853135  0.39887027  0.61789423
   0.34074504  0.40155124  0.75719843
   0.09752532  0.67514793 -0.00146003
   0.40521282  0.60472360  0.37159736
   0.05869699  0.90478590  0.13381617
   0.33121093  0.85037247  0.24866058
   0.17628496  0.67032381  0.50787730
   0.35284819  0.64057955  0.87916440
   0.07700189  0.92294536  0.62046602
   0.33109432  1.00061576  0.70736660
   0.63956141  0.16076758  1.00223910
   0.84263732  0.13904640  0.36652961
   0.59693743  0.43468536  0.11751847
   0.85727644  0.31717153  0.18133078
   0.61328758  0.18616800  0.50902282
   0.88913793  0.12912638  0.87001399
   0.56264789  0.46138701  0.62149089
   0.74094647  0.36784647  0.80171078
   0.59982167  0.67934085 -0.00344053
   0.94146100  0.60146248  0.38744564
   0.58110587  0.91614958  0.14067647
   0.81237887  0.85639646  0.27966175
   0.66539060  0.64710489  0.46377898
   0.85913208  0.61684202  0.87660321
   0.60647468  0.93217013  0.63929849
   0.83588850  0.88365696  0.75952337
   0.07957515  0.07386281  0.13218106
   0.33778603  0.21087992  0.29247485
   0.15199717  0.30961722  0.04002712
   0.34834777  0.45902004  0.35320198
   0.51061285  0.36457719  0.20369863
   0.26139911  0.42615640  0.17991495
   0.25254010  0.10740358  0.46507212
  -0.00069377  0.15742120  0.39255780
   0.03297996  0.06656809  0.56829906
   0.44838981  0.26524918  0.76652758
   0.12149635  0.30085484  0.53348185
   0.33762314  0.48166397  0.85453490
   0.41717681  0.49891810  0.66948901
   0.19619224  0.32973681  0.71978398
   0.29139229  0.21858449 -0.08815980
   0.03835900  0.17919596  0.90753316
   0.08564508  0.56061099  0.07387068
   0.38133100  0.69827877  0.27814199
   0.06600568  0.82711847  0.03688855
   0.38716530  0.94951297  0.33526370
   0.41413146  0.92705235  0.16373654
   0.17525187  0.85206653  0.20961970
   0.33583684  0.64946480  0.47021211
   0.08207133  0.67539392  0.42086750
   0.14640874  0.55231103  0.58644982
   0.28454515  0.73190980  0.79943604
   0.15558193  0.81807359  0.55286055
   0.39253393  1.00538817  0.81117758
   0.43076025  0.90270469  0.64787711
   0.17690916  0.92866032  0.70870856
   0.27159883  0.67186994 -0.02273667
   0.01665562  0.64649327  0.91237777
   0.62555107  0.07183541  0.09883843
   0.79677910  0.20422059  0.26118295
   0.61352496  0.31907091  0.03350956
   0.96593457  0.44572571  0.35566426
   0.00763372  0.37036683  0.19518433
   0.75138077  0.45229364  0.16113193
   0.76491764  0.17954462  0.46480898
   0.50133802  0.12507937  0.43445793
   0.62670719  0.08918686  0.60877306
   0.82356903  0.22442741  0.79088722
   0.57160058  0.34250439  0.53815416
   0.85935576  0.46110469  0.85098632
   0.95599644  0.41018128  0.66909622
   0.68220886  0.43390037  0.70126870
   0.79251237  0.14709843  0.96516108
   0.54315566  0.10709599  0.92320665
   0.52055501  0.55626212  0.06693484
   0.87291504  0.70682366  0.31025175
   0.61846684  0.80984292  0.06025711
   0.84155223  0.96258326  0.35632358
   0.89072547  0.89889173  0.17982249
   0.65203340  0.86066781  0.23985885
   0.82239485  0.59094737  0.47298378
   0.56856785  0.58504744  0.38296855
   0.60151420  0.61410623  0.56836864
   0.81922357  0.71423792  0.78309034
   0.64526948  0.80459941  0.43431679
   0.90245268  0.96932953  0.84404804
   0.92236915  0.87119575  0.66141444
   0.67187428  0.92495519  0.74261241
   0.75798603  0.64063278  0.96925248
   0.51104345  0.67962588  0.90308429
   0.69917262  0.82556776  0.59035101
   0.73086801  0.90190319  0.46295704
   0.87123335  0.22159106  0.10398996
   1.02133479  0.40332891  0.30441772
   0.32729605  0.11731185  0.64248172
   0.20061068  0.74457754  0.76084356
   0.01155606  1.13576304  0.09837068
   0.23953032  1.07492083  0.02097429
   0.63755314  0.36477492  0.87095148
   0.88229807  0.46089806  0.63264290
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.729743    0.158750    0.109982
    -0.000000    9.876030    0.225085
    -0.000000    0.000000   14.175291
   Si   O    H 
    32    64    10
Direct configuration=  1107
   0.16842572  0.16964314 -0.02207005
   0.36740033  0.10125577  0.38088448
   0.12614101  0.41554596  0.12004322
   0.36769402  0.36579792  0.26517604
   0.10153083  0.15977725  0.48496282
   0.41833217  0.15172410  0.85213726
   0.10985180  0.39925311  0.61819362
   0.34124239  0.40285806  0.75780882
   0.09801605  0.67554875 -0.00043295
   0.40481528  0.60556287  0.37129810
   0.05919497  0.90472191  0.13353810
   0.33160902  0.85111320  0.24655010
   0.17592505  0.66992506  0.50836724
   0.35245805  0.64081631  0.87874010
   0.07747833  0.92225640  0.61997279
   0.33050495  1.00052644  0.70772706
   0.64003204  0.16145964  1.00251981
   0.84404281  0.13933511  0.36663726
   0.59665458  0.43493184  0.11772402
   0.85607130  0.31795635  0.18259257
   0.61321363  0.18419996  0.50937822
   0.88941831  0.12859815  0.87014406
   0.56324049  0.46315008  0.62055067
   0.74132532  0.36713655  0.80172941
   0.60008238  0.67920519 -0.00366169
   0.93943258  0.60183499  0.38807483
   0.58247532  0.91531485  0.14114849
   0.81150882  0.85618273  0.27944873
   0.66472798  0.64701066  0.46406416
   0.85864879  0.61768785  0.87713577
   0.60620014  0.92964639  0.63912738
   0.83419948  0.88302902  0.76007958
   0.07998113  0.07339519  0.13210910
   0.33957005  0.21105464  0.29212670
   0.15150639  0.30587266  0.03948720
   0.34899639  0.46010949  0.35421742
   0.51075849  0.36297701  0.20259651
   0.26187930  0.42597168  0.18052889
   0.25285922  0.10578868  0.46514809
   0.00031279  0.15714517  0.39219710
   0.03329475  0.06607772  0.56745270
   0.44762172  0.26575507  0.76596975
   0.12291248  0.30152987  0.53293132
   0.33815310  0.48276494  0.85397879
   0.41817600  0.49914673  0.66937548
   0.19732832  0.32939814  0.72017591
   0.29329473  0.22151173 -0.08760746
   0.03654281  0.17847311  0.90724797
   0.08552027  0.56005101  0.07552945
   0.38272283  0.69964506  0.27719228
   0.06348720  0.82786506  0.03695347
   0.38639338  0.94989883  0.33455222
   0.41547598  0.92708076  0.16352571
   0.17542632  0.85019403  0.20896676
   0.33543790  0.64922965  0.46980497
   0.08111893  0.67540918  0.42069165
   0.14722901  0.55229396  0.58673924
   0.28501360  0.73072727  0.79872528
   0.15747508  0.81846818  0.55249794
   0.39285610  1.00704043  0.81054500
   0.43126149  0.90222538  0.64747424
   0.17757392  0.92644370  0.70864117
   0.27266799  0.67206359 -0.02156023
   0.01770885  0.64488942  0.91234888
   0.62528491  0.07177154  0.09842183
   0.79526427  0.20466263  0.26219981
   0.61226394  0.31997378  0.03300337
   0.96484234  0.44340150  0.35526926
   0.00762861  0.37117430  0.19503211
   0.75100204  0.44995469  0.16131905
   0.76253499  0.17803884  0.46530988
   0.50249063  0.12609579  0.43283771
   0.62349466  0.08885614  0.60719378
   0.82345210  0.22354663  0.79072014
   0.57179777  0.34430298  0.53778348
   0.85900595  0.46249522  0.85080729
   0.95456181  0.40943858  0.66903796
   0.68256957  0.43507486  0.70196290
   0.79212667  0.14878511  0.96400398
   0.54130788  0.10689674  0.92282947
   0.51973922  0.55616505  0.06695163
   0.87334585  0.70751557  0.30936538
   0.61691545  0.80800166  0.05914012
   0.84260173  0.96451156  0.35604343
   0.89274047  0.89676596  0.18013491
   0.65169742  0.86267977  0.23971630
   0.82366501  0.58933765  0.47327527
   0.56857765  0.58552198  0.38273503
   0.60088530  0.61373631  0.56853945
   0.82013118  0.71571255  0.78313187
   0.64468956  0.80473104  0.43471993
   0.90183828  0.97077158  0.84392947
   0.92303148  0.87047543  0.66220021
   0.67518917  0.92547360  0.74211792
   0.75730115  0.64079470  0.96853758
   0.51090869  0.68020841  0.90354518
   0.70027340  0.83009570  0.58852306
   0.73466991  0.89611236  0.45806860
   0.87083523  0.22300981  0.09843310
   1.02950503  0.41002438  0.30646545
   0.32713634  0.11899501  0.64427671
   0.20479101  0.74196841  0.76129866
   0.01024762  1.13228540  0.09965586
   0.24672707  1.06933081  0.03038236
   0.62777039  0.37121850  0.87257535
   0.87435446  0.45984192  0.63247753
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.726870    0.155665    0.109202
    -0.000000    9.874946    0.222938
    -0.000000    0.000000   14.176477
   Si   O    H 
    32    64    10
Direct configuration=  1108
   0.16831462  0.16996896 -0.02216247
   0.36800872  0.10101497  0.38013022
   0.12662265  0.41627966  0.11931673
   0.36682697  0.36588095  0.26628623
   0.10006152  0.15890344  0.48462974
   0.41897699  0.15164194  0.85307918
   0.11079587  0.39959575  0.61860229
   0.34196649  0.40429538  0.75853895
   0.09934801  0.67571766  0.00089122
   0.40475373  0.60681716  0.37100223
   0.05920140  0.90518060  0.13396206
   0.33196086  0.85173380  0.24506821
   0.17554922  0.67014300  0.50879591
   0.35247607  0.64098625  0.87887577
   0.07732335  0.92157559  0.61948522
   0.33026699  1.00022449  0.70772272
   0.64054067  0.16271035  1.00253954
   0.84557656  0.13969641  0.36629454
   0.59624466  0.43464579  0.11783564
   0.85507135  0.31858556  0.18355054
   0.61280848  0.18255165  0.50990290
   0.88976267  0.12776478  0.87039876
   0.56399998  0.46532202  0.61944811
   0.74169125  0.36645529  0.80182092
   0.60063683  0.67863045 -0.00373910
   0.93812405  0.60224273  0.38875629
   0.58382098  0.91531383  0.14129186
   0.81065527  0.85570065  0.27928095
   0.66409393  0.64699812  0.46393601
   0.85884510  0.61905656  0.87777754
   0.60548007  0.92712423  0.63901603
   0.83210622  0.88208229  0.76021927
   0.08051662  0.07263744  0.13160633
   0.34179321  0.21102056  0.29190369
   0.15088418  0.30250399  0.03916623
   0.34958519  0.46026550  0.35512650
   0.51073991  0.36114827  0.20167428
   0.26328506  0.42551397  0.18174559
   0.25306249  0.10488684  0.46464096
   0.00230892  0.15598435  0.39169113
   0.03308597  0.06537501  0.56690428
   0.44741802  0.26568256  0.76561486
   0.12423716  0.30318473  0.53219465
   0.33866124  0.48386595  0.85343717
   0.41939627  0.49897256  0.66927368
   0.19865768  0.32933966  0.72009758
   0.29531972  0.22433982 -0.08715619
   0.03491515  0.17689857  0.90665552
   0.08462875  0.55917956  0.07732995
   0.38337128  0.70116624  0.27648718
   0.06096746  0.82810453  0.03662595
   0.38459230  0.95058247  0.33395411
   0.41719154  0.92640284  0.16254458
   0.17566404  0.84821600  0.20847213
   0.33451538  0.64862130  0.46981041
   0.08001727  0.67547950  0.41999598
   0.14812750  0.55251791  0.58681484
   0.28643841  0.72997019  0.79725717
   0.15886588  0.81902478  0.55221816
   0.39312530  1.00910709  0.80979957
   0.43179468  0.90231456  0.64740054
   0.17799574  0.92457468  0.70874605
   0.27315303  0.67142754 -0.02037113
   0.01819492  0.64358769  0.91214582
   0.62364655  0.07100005  0.09839039
   0.79362465  0.20491322  0.26383605
   0.61124255  0.32121349  0.03287120
   0.96358696  0.44103989  0.35527757
   0.00751894  0.37228559  0.19509466
   0.75169359  0.44745281  0.16185232
   0.76031276  0.17631000  0.46496423
   0.50431607  0.12754018  0.43182871
   0.62082520  0.08861900  0.60557496
   0.82286233  0.22234628  0.79056363
   0.57196102  0.34601749  0.53806291
   0.85797231  0.46341542  0.85027600
   0.95359434  0.40890669  0.66907947
   0.68249221  0.43568731  0.70255995
   0.79121032  0.15031999  0.96262856
   0.54003690  0.10703416  0.92237965
   0.51948888  0.55621309  0.06710702
   0.87367817  0.70773584  0.30863618
   0.61693837  0.80634534  0.05874948
   0.84382107  0.96631567  0.35636084
   0.89584934  0.89412343  0.18017384
   0.65105551  0.86515939  0.23933972
   0.82405655  0.58857923  0.47336793
   0.56885698  0.58584531  0.38293202
   0.59964632  0.61344750  0.56880567
   0.82201000  0.71724700  0.78293780
   0.64449966  0.80682616  0.43490585
   0.90219903  0.97198318  0.84380569
   0.92372074  0.87005725  0.66198487
   0.67775911  0.92568933  0.74179063
   0.75620266  0.64107126  0.96703279
   0.51045986  0.68126035  0.90374077
   0.69739726  0.83852616  0.58775994
   0.73242618  0.88255797  0.44960292
   0.86954571  0.22990337  0.09446744
   1.03526467  0.41605232  0.30840849
   0.32595047  0.12206572  0.64727216
   0.20531138  0.73709715  0.75966478
   0.00625942  1.12563146  0.10185569
   0.25566327  1.06018014  0.03885196
   0.62054360  0.37777413  0.87443078
   0.87696645  0.45533747  0.63726102
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.724410    0.153113    0.107610
    -0.000000    9.873792    0.221240
    -0.000000    0.000000   14.177333
   Si   O    H 
    32    64    10
Direct configuration=  1109
   0.16805580  0.17010841 -0.02203887
   0.36849414  0.10088030  0.37916154
   0.12686085  0.41722916  0.11873238
   0.36588439  0.36628612  0.26692786
   0.09881239  0.15848639  0.48431524
   0.41978031  0.15202776  0.85397079
   0.11128912  0.40018123  0.61936011
   0.34314136  0.40538264  0.75896338
   0.10069446  0.67560988  0.00204126
   0.40450833  0.60844096  0.37053373
   0.05911511  0.90559449  0.13433111
   0.33205338  0.85204183  0.24371925
   0.17634512  0.67036247  0.50883235
   0.35281631  0.64093455  0.87919971
   0.07728866  0.92075218  0.61873229
   0.32996076  0.99960488  0.70731742
   0.64075815  0.16351486  1.00284485
   0.84696715  0.14050888  0.36621268
   0.59613145  0.43381807  0.11850165
   0.85380047  0.31859599  0.18386535
   0.61213621  0.18089442  0.51061113
   0.89041790  0.12677394  0.87103855
   0.56489730  0.46765883  0.61815820
   0.74181813  0.36557223  0.80222317
   0.60109095  0.67811617 -0.00415344
   0.93790717  0.60277715  0.38918789
   0.58452202  0.91588355  0.14133238
   0.81071055  0.85574613  0.27882033
   0.66364611  0.64699783  0.46366164
   0.85833845  0.62031494  0.87834652
   0.60453462  0.92515119  0.63890656
   0.82995642  0.88122433  0.76039785
   0.08052489  0.07142830  0.13120905
   0.34384631  0.21043772  0.29167858
   0.14975393  0.30005799  0.03862494
   0.34939669  0.46068667  0.35614208
   0.51067454  0.35937492  0.20124096
   0.26417930  0.42374295  0.18378135
   0.25387856  0.10435618  0.46433073
   0.00405409  0.15446913  0.39096639
   0.03264920  0.06487545  0.56617001
   0.44711391  0.26569251  0.76554140
   0.12598196  0.30437414  0.53113172
   0.33909776  0.48495648  0.85278192
   0.41978453  0.49871485  0.66925110
   0.19943534  0.33036520  0.71960014
   0.29755107  0.22681834 -0.08656278
   0.03392062  0.17481931  0.90615144
   0.08411446  0.55918388  0.07906307
   0.38382344  0.70222071  0.27637015
   0.05924839  0.82839961  0.03641798
   0.38204880  0.95028609  0.33404078
   0.41899022  0.92554746  0.16090218
   0.17596915  0.84699921  0.20839400
   0.33357446  0.64672368  0.46967790
   0.07842904  0.67546798  0.41933323
   0.14937960  0.55320743  0.58667862
   0.28785712  0.72977753  0.79578952
   0.16123174  0.81920047  0.55212720
   0.39262981  1.00955582  0.80994322
   0.43403913  0.90202346  0.64725694
   0.17975710  0.92391985  0.70876506
   0.27346951  0.67146859 -0.01890172
   0.01766943  0.64258377  0.91115890
   0.62191009  0.06993699  0.09862443
   0.79256197  0.20561338  0.26542058
   0.61064880  0.32191970  0.03237714
   0.96249770  0.44006784  0.35563817
   0.00822285  0.37325860  0.19532641
   0.75242748  0.44523643  0.16201473
   0.75969085  0.17444088  0.46414845
   0.50595924  0.12911437  0.43176128
   0.61887427  0.08843560  0.60346486
   0.82122381  0.22212190  0.79028610
   0.57199124  0.34740811  0.53841514
   0.85673851  0.46383289  0.84957196
   0.95278584  0.40793811  0.66867532
   0.68315244  0.43594086  0.70260031
   0.79109962  0.15199377  0.96133904
   0.53833439  0.10798348  0.92195449
   0.52065008  0.55691540  0.06725232
   0.87389095  0.70752085  0.30795314
   0.61734498  0.80552758  0.05857890
   0.84482519  0.96869906  0.35696196
   0.89883760  0.89119723  0.17981182
   0.64954746  0.86703156  0.23914931
   0.82428761  0.58771637  0.47340304
   0.56945304  0.58588105  0.38345592
   0.59780164  0.61355201  0.56959855
   0.82384453  0.71852812  0.78347946
   0.64613997  0.80936189  0.43553075
   0.90133903  0.97295077  0.84352943
   0.92448384  0.87015261  0.66167761
   0.67971904  0.92552521  0.74135325
   0.75447933  0.64175226  0.96611919
   0.50912156  0.68253197  0.90377666
   0.69542348  0.84501551  0.58509048
   0.71997818  0.86270326  0.43850660
   0.86333907  0.23991113  0.09381747
   1.03594113  0.42292201  0.30836623
   0.32337028  0.12802515  0.65087432
   0.20210341  0.73524023  0.75732914
   0.00362048  1.12038713  0.10401609
   0.26019782  1.05512885  0.04186097
   0.61796072  0.38067536  0.87462072
   0.88111695  0.45292643  0.64079176
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.721804    0.150197    0.105900
    -0.000000    9.872836    0.219381
    -0.000000    0.000000   14.178158
   Si   O    H 
    32    64    10
Direct configuration=  1110
   0.16819875  0.17041321 -0.02202697
   0.36909968  0.10064139  0.37848124
   0.12783428  0.41763609  0.11864374
   0.36512741  0.36648054  0.26693672
   0.09831523  0.15780982  0.48392860
   0.42035310  0.15227639  0.85491587
   0.11218392  0.40090399  0.62016401
   0.34435911  0.40617944  0.75887236
   0.10251568  0.67503117  0.00306149
   0.40485596  0.61026920  0.36998974
   0.05893057  0.90636306  0.13475759
   0.33250142  0.85234047  0.24287983
   0.17659391  0.67037985  0.50861706
   0.35290178  0.64077936  0.87978327
   0.07695869  0.91949635  0.61821198
   0.32956574  0.99870333  0.70729205
   0.64070721  0.16445193  1.00333598
   0.84768945  0.14107398  0.36608255
   0.59581807  0.43252829  0.11874654
   0.85238451  0.31881076  0.18406223
   0.61099543  0.17919614  0.51149182
   0.89013893  0.12662831  0.87153720
   0.56531248  0.46975289  0.61730426
   0.74229104  0.36451220  0.80271697
   0.60110873  0.67723870 -0.00450569
   0.93751864  0.60293016  0.38918846
   0.58511426  0.91631566  0.14146214
   0.81112531  0.85586316  0.27818322
   0.66363175  0.64637592  0.46322990
   0.85822612  0.62167706  0.87877264
   0.60358683  0.92353294  0.63893828
   0.82842651  0.87985148  0.76089872
   0.07987892  0.07019213  0.13110026
   0.34692949  0.20880043  0.29147973
   0.14823558  0.29877585  0.03883267
   0.34954194  0.46118723  0.35626176
   0.51005736  0.35845609  0.20112717
   0.26495563  0.42202584  0.18538553
   0.25493522  0.10404171  0.46376342
   0.00654096  0.15359216  0.39049137
   0.03231263  0.06430439  0.56570992
   0.44736789  0.26557701  0.76579795
   0.12693881  0.30565730  0.52994851
   0.33958979  0.48579526  0.85235900
   0.41974673  0.49726149  0.66980621
   0.20063917  0.33199269  0.71900636
   0.29957531  0.22885225 -0.08552451
   0.03374331  0.17260034  0.90612897
   0.08324826  0.55973420  0.08111855
   0.38425132  0.70341025  0.27593581
   0.05704132  0.82896539  0.03570626
   0.37986741  0.95011341  0.33377273
   0.42194624  0.92538196  0.15886291
   0.17538408  0.84594707  0.20827473
   0.33268453  0.64465942  0.46982319
   0.07684038  0.67628923  0.41850276
   0.15055869  0.55343079  0.58671900
   0.28861726  0.72932263  0.79412772
   0.16328077  0.81884055  0.55273914
   0.39248288  1.00968934  0.81012033
   0.43668797  0.90210377  0.64795443
   0.18183185  0.92452983  0.70906328
   0.27305886  0.67151751 -0.01792701
   0.01635636  0.64157831  0.90985431
   0.62044724  0.06840434  0.09871534
   0.79204588  0.20648317  0.26692207
   0.61036234  0.32204217  0.03265743
   0.96152458  0.43977113  0.35653091
   0.00869795  0.37346468  0.19529809
   0.75258841  0.44364334  0.16187640
   0.76024985  0.17341926  0.46256160
   0.50733309  0.13132434  0.43152937
   0.61766345  0.08707677  0.60153652
   0.82014871  0.22162790  0.79011819
   0.57209963  0.34804225  0.53827876
   0.85571847  0.46365510  0.84907364
   0.95252758  0.40620551  0.66827091
   0.68451045  0.43629452  0.70300767
   0.79087425  0.15335188  0.96031661
   0.53618774  0.10816971  0.92230593
   0.52129550  0.55887187  0.06699437
   0.87335630  0.70715846  0.30784628
   0.61806946  0.80527045  0.05897941
   0.84609715  0.97098143  0.35698817
   0.90226351  0.88857136  0.17873901
   0.64806465  0.86796952  0.23883879
   0.82399985  0.58688491  0.47296496
   0.56951060  0.58596205  0.38395262
   0.59661002  0.61313558  0.57056721
   0.82565355  0.71880190  0.78493657
   0.64615934  0.81075569  0.43633111
   0.89994502  0.97252951  0.84322216
   0.92556981  0.87036651  0.66127624
   0.68160611  0.92596400  0.74156267
   0.75342458  0.64311395  0.96512067
   0.50759497  0.68347000  0.90408481
   0.69326254  0.84749525  0.58222147
   0.72349367  0.85949781  0.43156392
   0.85842297  0.25185343  0.09581158
   1.03669941  0.42836938  0.30859210
   0.31973736  0.13485897  0.65469103
   0.20555659  0.73336387  0.75854141
  -0.00174958  1.11596232  0.10474749
   0.26135425  1.05306366  0.03621528
   0.62195544  0.38054798  0.87226174
   0.87459344  0.45841198  0.63590508
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.719320    0.146626    0.103846
    -0.000000    9.872212    0.217777
    -0.000000    0.000000   14.178233
   Si   O    H 
    32    64    10
Direct configuration=  1111
   0.16859097  0.17129328 -0.02220721
   0.36965475  0.10003283  0.37779441
   0.12866056  0.41845044  0.11841223
   0.36480165  0.36621877  0.26638075
   0.09812197  0.15701008  0.48380466
   0.42096525  0.15231549  0.85567988
   0.11260084  0.40114303  0.62129912
   0.34599806  0.40658916  0.75845456
   0.10424490  0.67451043  0.00406737
   0.40592415  0.61217197  0.36947362
   0.05832473  0.90662020  0.13547970
   0.33319584  0.85220728  0.24226167
   0.17735925  0.67038160  0.50822429
   0.35240517  0.64109681  0.88052409
   0.07661967  0.91863060  0.61781824
   0.32964731  0.99804849  0.70725182
   0.64043380  0.16581761  1.00392747
   0.84807653  0.14142303  0.36575584
   0.59546617  0.43123299  0.11825903
   0.85094755  0.31949001  0.18434965
   0.60972605  0.17839988  0.51247278
   0.88980777  0.12660235  0.87194663
   0.56598080  0.47095732  0.61642921
   0.74254484  0.36360214  0.80325182
   0.60076132  0.67586558 -0.00476798
   0.93714410  0.60228516  0.38853747
   0.58486346  0.91625012  0.14114275
   0.81117097  0.85517657  0.27730378
   0.66396638  0.64508175  0.46287911
   0.85769844  0.62292340  0.87958050
   0.60226859  0.92203343  0.63854132
   0.82803918  0.87870768  0.76136929
   0.07884110  0.06866589  0.13077479
   0.34960150  0.20750849  0.29170853
   0.14608552  0.29856162  0.03911267
   0.34912482  0.46128632  0.35673964
   0.50974675  0.35770523  0.20147594
   0.26602501  0.42042318  0.18671688
   0.25584983  0.10412000  0.46307129
   0.00963492  0.15366593  0.38935290
   0.03200866  0.06355792  0.56611044
   0.44721912  0.26553512  0.76598651
   0.12814977  0.30696967  0.52877934
   0.33929196  0.48706105  0.85190206
   0.41919271  0.49609239  0.67043983
   0.20169210  0.33410209  0.71796419
   0.30145157  0.22981838 -0.08537581
   0.03399925  0.17030453  0.90624122
   0.08274580  0.56095135  0.08291321
   0.38550468  0.70471848  0.27512698
   0.05619986  0.82976964  0.03568503
   0.37672348  0.95014701  0.33391242
   0.42344683  0.92521379  0.15635312
   0.17560629  0.84498526  0.20817278
   0.33254180  0.64247594  0.47023888
   0.07550859  0.67655452  0.41752407
   0.15166377  0.55447085  0.58675224
   0.28994592  0.72938930  0.79218878
   0.16550582  0.81889695  0.55365941
   0.39110342  1.01056497  0.81004614
   0.43873638  0.90162776  0.64864801
   0.18303064  0.92591623  0.70920180
   0.27195876  0.67198821 -0.01686911
   0.01535953  0.64056709  0.90861937
   0.61920517  0.06777967  0.09840977
   0.79163942  0.20772373  0.26833152
   0.60953505  0.32271571  0.03299300
   0.96117800  0.44001299  0.35730681
   0.00922562  0.37287103  0.19528415
   0.75221350  0.44288620  0.16229815
   0.76170920  0.17278777  0.46077336
   0.50908627  0.13326988  0.43128230
   0.61673097  0.08616080  0.59981217
   0.81862249  0.22067648  0.79032170
   0.57242908  0.34857507  0.53801248
   0.85530729  0.46394441  0.84838470
   0.95207144  0.40455855  0.66782674
   0.68459725  0.43640334  0.70330615
   0.79020095  0.15375235  0.95956838
   0.53451774  0.10850144  0.92297490
   0.52236994  0.56128399  0.06637631
   0.87146523  0.70667736  0.30829410
   0.61806698  0.80610462  0.05901459
   0.84760879  0.97343562  0.35656294
   0.90420208  0.88640991  0.17767668
   0.64731354  0.86847529  0.23887035
   0.82421472  0.58706975  0.47353865
   0.56968490  0.58608012  0.38423419
   0.59481503  0.61235806  0.57073804
   0.82742560  0.71802722  0.78598053
   0.64473030  0.81108224  0.43698765
   0.89848288  0.97189014  0.84240719
   0.92651169  0.87125061  0.66076769
   0.68216250  0.92648314  0.74181761
   0.75302505  0.64546799  0.96385849
   0.50602758  0.68467904  0.90389897
   0.69297411  0.84433492  0.57654495
   0.74038100  0.86878902  0.42660019
   0.85750517  0.25878171  0.09874659
   1.03324558  0.43045132  0.30878158
   0.31880575  0.13705588  0.66073452
   0.20694564  0.72955567  0.75759064
  -0.00428703  1.11454109  0.10799333
   0.25649869  1.05494973  0.02659467
   0.62975769  0.37460282  0.86834565
   0.87455943  0.45889951  0.63350234
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.717074    0.143457    0.101835
    -0.000000    9.871582    0.216532
    -0.000000    0.000000   14.178256
   Si   O    H 
    32    64    10
Direct configuration=  1112
   0.16871823  0.17172163 -0.02234152
   0.36941167  0.09988064  0.37688281
   0.12996530  0.41809300  0.11822584
   0.36432360  0.36609793  0.26628883
   0.09864673  0.15646973  0.48416780
   0.42150159  0.15288927  0.85631001
   0.11241954  0.40062471  0.62264923
   0.34738774  0.40722495  0.75785451
   0.10540437  0.67432986  0.00436895
   0.40737967  0.61435469  0.36897336
   0.05745162  0.90700753  0.13625028
   0.33320295  0.85214810  0.24212437
   0.17888296  0.67008088  0.50763610
   0.35144824  0.64174862  0.88132161
   0.07592130  0.91837343  0.61706799
   0.32948952  0.99739815  0.70704300
   0.64043013  0.16666461  1.00500161
   0.84824871  0.14086042  0.36482008
   0.59473920  0.42970014  0.11819031
   0.84946690  0.31944171  0.18459063
   0.60865327  0.17847383  0.51300093
   0.88946675  0.12671476  0.87247758
   0.56640464  0.47141353  0.61556796
   0.74319294  0.36277824  0.80354766
   0.59979053  0.67517813 -0.00482260
   0.93672272  0.60134073  0.38742603
   0.58445499  0.91627821  0.14055653
   0.81166313  0.85487335  0.27643162
   0.66399884  0.64389301  0.46294973
   0.85749623  0.62373624  0.88032396
   0.60154612  0.92118204  0.63824708
   0.82870602  0.87762170  0.76162943
   0.07817590  0.06707951  0.13085089
   0.35197790  0.20531851  0.29217267
   0.14356294  0.29919631  0.04024260
   0.34801409  0.46211264  0.35682483
   0.51013063  0.35678794  0.20173025
   0.26604149  0.41923349  0.18714000
   0.25763924  0.10346098  0.46224024
   0.01293622  0.15360050  0.38780101
   0.03253462  0.06222806  0.56632982
   0.44663019  0.26519532  0.76597513
   0.12949019  0.30711505  0.52747916
   0.33899381  0.48901279  0.85162282
   0.41783369  0.49446363  0.67165006
   0.20274599  0.33735467  0.71714647
   0.30354555  0.23116015 -0.08525806
   0.03571667  0.16767033  0.90617169
   0.08139252  0.56243722  0.08490387
   0.38646171  0.70608637  0.27517594
   0.05554457  0.82984000  0.03585213
   0.37436540  0.94980051  0.33367764
   0.42451497  0.92524562  0.15427644
   0.17544115  0.84313375  0.20809175
   0.33186160  0.64167329  0.47037006
   0.07501727  0.67691510  0.41613975
   0.15214848  0.55532418  0.58720866
   0.29209413  0.72992792  0.79046469
   0.16712686  0.81933592  0.55467194
   0.38973561  1.01122144  0.80997075
   0.44029138  0.90145084  0.64902014
   0.18473022  0.92683330  0.70885729
   0.27055071  0.67167459 -0.01629312
   0.01517837  0.64054978  0.90751581
   0.61832991  0.06681294  0.09830091
   0.79167278  0.20891139  0.26902149
   0.60766970  0.32344621  0.03338686
   0.96113065  0.43975151  0.35880034
   0.00966519  0.37209972  0.19554156
   0.75174170  0.44255282  0.16260887
   0.76437850  0.17184805  0.45937274
   0.51118358  0.13460201  0.43143995
   0.61661750  0.08473243  0.59817403
   0.81689908  0.21929094  0.78989667
   0.57277583  0.34919677  0.53776501
   0.85529547  0.46509988  0.84813111
   0.95105864  0.40335328  0.66727783
   0.68492177  0.43638390  0.70352949
   0.78982681  0.15438774  0.95866560
   0.53414006  0.10978038  0.92369925
   0.52331420  0.56351401  0.06615579
   0.86882827  0.70562326  0.30900928
   0.61781625  0.80795110  0.05869948
   0.84883716  0.97577710  0.35621762
   0.90561622  0.88463792  0.17668297
   0.64701714  0.86829414  0.23976580
   0.82346277  0.58804535  0.47398381
   0.56912426  0.58475174  0.38420721
   0.59312944  0.61248170  0.57047327
   0.82804326  0.71676725  0.78719511
   0.64358971  0.81142624  0.43771198
   0.89716285  0.97023812  0.84164090
   0.92670535  0.87272639  0.66063005
   0.68068268  0.92746518  0.74223252
   0.75263995  0.64755997  0.96266836
   0.50477372  0.68687451  0.90366188
   0.69319021  0.84247078  0.57356547
   0.74494606  0.86722551  0.42374972
   0.85710169  0.25954548  0.09533959
   1.03522851  0.43479873  0.30961672
   0.32003910  0.13617630  0.66541110
   0.20162479  0.72793593  0.75408083
  -0.01002840  1.11715023  0.11309229
   0.24522068  1.05982280  0.01456261
   0.63346013  0.36613080  0.86434885
   0.88093982  0.45233788  0.63416378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.714787    0.140475    0.099671
    -0.000000    9.871217    0.215382
    -0.000000    0.000000   14.178424
   Si   O    H 
    32    64    10
Direct configuration=  1113
   0.16847913  0.17223778 -0.02240453
   0.36924561  0.09917906  0.37598874
   0.13128245  0.41779811  0.11867507
   0.36425258  0.36573981  0.26619213
   0.09936043  0.15584945  0.48432417
   0.42157823  0.15428965  0.85647543
   0.11238258  0.39939407  0.62405203
   0.34852616  0.40721387  0.75676295
   0.10672688  0.67437312  0.00484179
   0.40895998  0.61617223  0.36918268
   0.05639444  0.90695555  0.13701291
   0.33298126  0.85205121  0.24253407
   0.18046236  0.67009982  0.50713786
   0.35056904  0.64291729  0.88215953
   0.07578021  0.91838848  0.61661598
   0.32935901  0.99664380  0.70635130
   0.63981502  0.16723391  1.00586759
   0.84849051  0.14081597  0.36418588
   0.59385152  0.42852560  0.11781333
   0.84799914  0.31884295  0.18497531
   0.60780892  0.17904107  0.51351168
   0.88923736  0.12694058  0.87277950
   0.56711529  0.47115596  0.61561100
   0.74371295  0.36225185  0.80395164
   0.59830022  0.67468127 -0.00476071
   0.93643024  0.60032525  0.38705634
   0.58427001  0.91667438  0.13972244
   0.81192193  0.85449442  0.27574878
   0.66421136  0.64279482  0.46289289
   0.85773936  0.62401373  0.88076918
   0.60125179  0.92076968  0.63848299
   0.82941302  0.87608800  0.76186914
   0.07781263  0.06641598  0.13069990
   0.35376268  0.20368665  0.29233976
   0.14128916  0.30094900  0.04221988
   0.34741903  0.46302553  0.35639582
   0.51035725  0.35679046  0.20199122
   0.26598610  0.41804456  0.18705759
   0.25895757  0.10283786  0.46141265
   0.01613528  0.15374553  0.38624018
   0.03417057  0.06048146  0.56665210
   0.44602517  0.26526490  0.76569154
   0.13054451  0.30723892  0.52641406
   0.33846631  0.49100769  0.85160440
   0.41750436  0.49365111  0.67233183
   0.20397760  0.34086599  0.71591554
   0.30516477  0.23185362 -0.08543709
   0.03756909  0.16496432  0.90586523
   0.07963052  0.56433441  0.08777688
   0.38734833  0.70636930  0.27571582
   0.05547616  0.82946780  0.03663308
   0.37235181  0.94927106  0.33310218
   0.42542144  0.92481206  0.15195076
   0.17558792  0.84015047  0.20749548
   0.33117812  0.64146134  0.47051637
   0.07426990  0.67703870  0.41481962
   0.15268864  0.55594205  0.58848671
   0.29405374  0.73065737  0.78940924
   0.16891025  0.81955895  0.55528979
   0.38806618  1.01199225  0.81030334
   0.44236781  0.90080365  0.64921303
   0.18520065  0.92761536  0.70801429
   0.26948254  0.67155589 -0.01551080
   0.01465871  0.63950710  0.90715384
   0.61769404  0.06499977  0.09865372
   0.79174606  0.20989122  0.26901422
   0.60649948  0.32412733  0.03304881
   0.96125625  0.44023408  0.36018898
   0.01031879  0.37116144  0.19579977
   0.74980144  0.44199337  0.16315570
   0.76562590  0.17051629  0.45890113
   0.51320184  0.13656769  0.43140347
   0.61660046  0.08303171  0.59733140
   0.81553854  0.21721923  0.78916157
   0.57260031  0.34995438  0.53789931
   0.85522112  0.46648390  0.84824443
   0.95049819  0.40218678  0.66680437
   0.68524431  0.43639418  0.70339996
   0.78974919  0.15490896  0.95824049
   0.53478884  0.11105772  0.92487596
   0.52502001  0.56511363  0.06580712
   0.86694746  0.70392623  0.30922060
   0.61769421  0.81015598  0.05826890
   0.84952780  0.97777479  0.35568217
   0.90567566  0.88302939  0.17609382
   0.64831596  0.86897271  0.24147296
   0.82336754  0.58995534  0.47422091
   0.56888440  0.58345681  0.38444870
   0.59272222  0.61264007  0.56980446
   0.82888883  0.71546494  0.78782015
   0.64288944  0.81218646  0.43865416
   0.89608260  0.96771180  0.84100907
   0.92737704  0.87408073  0.66089109
   0.67838644  0.92867840  0.74228266
   0.75189171  0.64991172  0.96186875
   0.50435641  0.68931236  0.90264641
   0.68560684  0.84265545  0.57553944
   0.73729990  0.85742766  0.42162076
   0.85677772  0.25477870  0.09001002
   1.03224717  0.43488556  0.30951973
   0.31791192  0.13211415  0.66660125
   0.20855249  0.72636761  0.75697778
  -0.01307586  1.12228040  0.11797749
   0.23513484  1.06150660  0.00318363
   0.63017725  0.35594821  0.86631862
   0.88406151  0.44920299  0.63124333
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.712210    0.138040    0.097619
    -0.000000    9.871034    0.213701
    -0.000000    0.000000   14.178223
   Si   O    H 
    32    64    10
Direct configuration=  1114
   0.16795290  0.17293146 -0.02307579
   0.36958310  0.09800647  0.37542178
   0.13281833  0.41708143  0.11931199
   0.36478047  0.36498338  0.26597477
   0.10002960  0.15510097  0.48418058
   0.42152761  0.15612324  0.85650251
   0.11236309  0.39785944  0.62521507
   0.34976607  0.40611933  0.75596191
   0.10734302  0.67459323  0.00499549
   0.41021991  0.61765761  0.36951462
   0.05585105  0.90593623  0.13763587
   0.33277835  0.85242116  0.24285714
   0.18169705  0.67044499  0.50704674
   0.34968346  0.64446314  0.88262341
   0.07535341  0.91810510  0.61636540
   0.32940736  0.99587868  0.70555096
   0.63950339  0.16804633  1.00661183
   0.84925400  0.14059115  0.36367349
   0.59315726  0.42719605  0.11704173
   0.84691025  0.31826874  0.18583812
   0.60721930  0.18029906  0.51370896
   0.88980402  0.12685094  0.87277053
   0.56785059  0.47057238  0.61586800
   0.74437477  0.36203311  0.80423315
   0.59633555  0.67467989 -0.00456952
   0.93663646  0.59945477  0.38686112
   0.58351804  0.91690647  0.13913467
   0.81183636  0.85386313  0.27518034
   0.66424852  0.64185815  0.46279821
   0.85817977  0.62427309  0.88148528
   0.60167796  0.92190689  0.63812940
   0.83013009  0.87420261  0.76158137
   0.07787924  0.06608383  0.13111942
   0.35543799  0.20246272  0.29198223
   0.13895810  0.30200862  0.04412435
   0.34657145  0.46320713  0.35620440
   0.51000079  0.35669448  0.20254384
   0.26574737  0.41730779  0.18676622
   0.25894663  0.10256029  0.46000801
   0.01879793  0.15382877  0.38467963
   0.03592083  0.05932272  0.56646168
   0.44548885  0.26562703  0.76580750
   0.13159098  0.30826560  0.52533647
   0.33798778  0.49183222  0.85115284
   0.41719892  0.49323100  0.67306724
   0.20416975  0.34430765  0.71475282
   0.30579509  0.23214238 -0.08534870
   0.04023429  0.16211758  0.90607909
   0.07761766  0.56726902  0.09042520
   0.38830282  0.70640008  0.27628947
   0.05529372  0.82800437  0.03736268
   0.37029366  0.94779319  0.33289398
   0.42540610  0.92474205  0.14974153
   0.17499723  0.83768439  0.20674912
   0.32976557  0.64064154  0.47025378
   0.07414297  0.67657510  0.41401924
   0.15303430  0.55630545  0.58979992
   0.29553272  0.73098963  0.78913962
   0.17027877  0.81945811  0.55519650
   0.38667104  1.01283170  0.81063785
   0.44391817  0.90017801  0.64956435
   0.18405446  0.92820414  0.70725315
   0.26900651  0.67220447 -0.01448319
   0.01436776  0.63870374  0.90739676
   0.61750407  0.06340231  0.09910046
   0.79190978  0.21135619  0.26866714
   0.60567156  0.32361088  0.03216667
   0.96134311  0.44058845  0.36127795
   0.01043582  0.36958292  0.19586815
   0.74749299  0.44170830  0.16340208
   0.76650091  0.16939508  0.45884210
   0.51407442  0.13835379  0.43095668
   0.61652526  0.08101095  0.59726248
   0.81500499  0.21468564  0.78878311
   0.57259004  0.35014660  0.53782459
   0.85579414  0.46793719  0.84820259
   0.95084372  0.40039796  0.66706655
   0.68477143  0.43665141  0.70306943
   0.79040811  0.15508483  0.95836271
   0.53722649  0.11192938  0.92735537
   0.52674883  0.56636019  0.06542874
   0.86469825  0.70240022  0.30882209
   0.61812565  0.81283421  0.05752049
   0.85022880  0.97999298  0.35509589
   0.90532805  0.88275556  0.17606974
   0.65056750  0.86950950  0.24280876
   0.82288302  0.59143553  0.47422615
   0.56914484  0.58214959  0.38456252
   0.59271217  0.61283012  0.56925963
   0.82850157  0.71425187  0.78836462
   0.64326465  0.81224461  0.43947816
   0.89536284  0.96477350  0.84063919
   0.92803208  0.87557619  0.66123506
   0.67643205  0.92978612  0.74168805
   0.75089625  0.65226925  0.96190810
   0.50420159  0.69215096  0.90158523
   0.67642731  0.83820491  0.57760517
   0.72323941  0.84678246  0.42200321
   0.85772926  0.24693373  0.08978666
   1.02813518  0.43271048  0.30976371
   0.31573556  0.13242033  0.66500521
   0.21385190  0.72539299  0.75954981
  -0.00889921  1.12335591  0.12298917
   0.23073818  1.05035569 -0.00094597
   0.62412074  0.34583755  0.87317113
   0.88427631  0.45315442  0.62593655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.709923    0.136057    0.095481
    -0.000000    9.870942    0.212072
    -0.000000    0.000000   14.177921
   Si   O    H 
    32    64    10
Direct configuration=  1115
   0.16691492  0.17356576 -0.02391483
   0.37056266  0.09683216  0.37478271
   0.13406433  0.41596437  0.12072520
   0.36521089  0.36364946  0.26571720
   0.10112427  0.15487261  0.48394638
   0.42084858  0.15845798  0.85573700
   0.11214783  0.39612778  0.62589755
   0.35061943  0.40477224  0.75530680
   0.10770912  0.67485321  0.00538328
   0.41098745  0.61851795  0.37004539
   0.05540197  0.90490534  0.13760638
   0.33235978  0.85296994  0.24271440
   0.18221329  0.67158348  0.50649452
   0.34913790  0.64670412  0.88350288
   0.07540186  0.91841006  0.61639276
   0.32945472  0.99482836  0.70481424
   0.63927033  0.16871014  1.00753602
   0.85017704  0.14053551  0.36353155
   0.59304135  0.42634588  0.11584829
   0.84638352  0.31690403  0.18654772
   0.60720983  0.18201909  0.51402979
   0.89024938  0.12594793  0.87288695
   0.56856312  0.46994217  0.61617901
   0.74517516  0.36138502  0.80449331
   0.59457168  0.67520150 -0.00422650
   0.93659153  0.59802640  0.38682003
   0.58292833  0.91729629  0.13869302
   0.81216440  0.85338836  0.27487279
   0.66415851  0.64148535  0.46270159
   0.85863233  0.62416942  0.88246040
   0.60225222  0.92368690  0.63802585
   0.83104585  0.87256091  0.76131361
   0.07791116  0.06696212  0.13152045
   0.35620540  0.20235567  0.29194140
   0.13745421  0.30315250  0.04573737
   0.34577137  0.46342025  0.35565795
   0.50960987  0.35622860  0.20279060
   0.26489319  0.41679850  0.18623592
   0.25850879  0.10278192  0.45848063
   0.02071773  0.15461190  0.38320098
   0.03701002  0.05853347  0.56589073
   0.44567879  0.26576350  0.76611058
   0.13264353  0.30872863  0.52436429
   0.33797127  0.49210644  0.85091898
   0.41726207  0.49327266  0.67338096
   0.20506783  0.34792716  0.71405437
   0.30573550  0.23224748 -0.08490065
   0.04391643  0.15876000  0.90629658
   0.07608705  0.57045572  0.09263939
   0.38931146  0.70603908  0.27764266
   0.05592332  0.82680258  0.03829132
   0.36791985  0.94665335  0.33260826
   0.42339392  0.92452846  0.14877668
   0.17449309  0.83570885  0.20600623
   0.32921699  0.64032987  0.46979078
   0.07426354  0.67575724  0.41276532
   0.15294527  0.55596682  0.59115829
   0.29743349  0.73133675  0.78959018
   0.17124112  0.81834910  0.55483246
   0.38525897  1.01319139  0.81110499
   0.44448679  0.89996710  0.64998860
   0.18183706  0.92827762  0.70647830
   0.26820549  0.67259128 -0.01350015
   0.01533643  0.63891515  0.90830638
   0.61750139  0.06248302  0.09953829
   0.79181164  0.21293336  0.26834694
   0.60419587  0.32293971  0.03130731
   0.96171166  0.44153708  0.36306633
   0.01070884  0.36883573  0.19569544
   0.74533272  0.44159433  0.16344762
   0.76708782  0.16982523  0.45913052
   0.51457769  0.14047546  0.43038625
   0.61550013  0.07886995  0.59691239
   0.81401920  0.21245409  0.78824944
   0.57205137  0.35023979  0.53683997
   0.85524837  0.46942315  0.84870122
   0.95141727  0.39891156  0.66717591
   0.68348312  0.43699626  0.70228693
   0.79065952  0.15624925  0.95923682
   0.54010809  0.11210422  0.92965140
   0.52807214  0.56723788  0.06539845
   0.86163473  0.70067789  0.30838200
   0.61844872  0.81499334  0.05635009
   0.85103128  0.98044637  0.35416635
   0.90411428  0.88220375  0.17628027
   0.65216619  0.86978030  0.24377464
   0.82277375  0.59246775  0.47368761
   0.56970239  0.58061480  0.38466525
   0.59288955  0.61340178  0.56837594
   0.82777487  0.71328804  0.78835343
   0.64141736  0.81096231  0.44067459
   0.89505575  0.96247413  0.84093104
   0.92870362  0.87677920  0.66177005
   0.67385461  0.93015746  0.74019795
   0.74971454  0.65404787  0.96223967
   0.50439268  0.69488070  0.90044670
   0.66574328  0.83103039  0.57647241
   0.73361261  0.84950380  0.42110471
   0.86083695  0.24040285  0.09058778
   1.02274586  0.42809767  0.30599040
   0.31355002  0.13395872  0.65952081
   0.20209524  0.72310166  0.75653097
   0.00145834  1.12118905  0.12811649
   0.22398015  1.02978714 -0.00039907
   0.62345967  0.33867219  0.87692945
   0.88759263  0.45369949  0.62419300
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.708336    0.134080    0.094094
    -0.000000    9.870617    0.209832
    -0.000000    0.000000   14.177124
   Si   O    H 
    32    64    10
Direct configuration=  1116
   0.16664906  0.17388230 -0.02477363
   0.37227208  0.09582371  0.37414462
   0.13472257  0.41537577  0.12233490
   0.36608799  0.36222738  0.26529398
   0.10225213  0.15479704  0.48340269
   0.42072996  0.16049823  0.85501887
   0.11163488  0.39503011  0.62669870
   0.35162620  0.40297181  0.75489154
   0.10741813  0.67573746  0.00562758
   0.41162978  0.61879513  0.37093537
   0.05539744  0.90338852  0.13757856
   0.33130149  0.85351689  0.24221791
   0.18273170  0.67196985  0.50580872
   0.34826129  0.64905932  0.88426455
   0.07479296  0.91913968  0.61716223
   0.33019020  0.99369033  0.70459853
   0.63883410  0.16918029  1.00850946
   0.85037015  0.14050075  0.36384226
   0.59262966  0.42579665  0.11483534
   0.84669155  0.31596238  0.18730664
   0.60726702  0.18431273  0.51420232
   0.89106899  0.12462861  0.87232580
   0.56899499  0.46937211  0.61671278
   0.74521087  0.36150550  0.80453582
   0.59352857  0.67633925 -0.00426692
   0.93624909  0.59690124  0.38677410
   0.58217149  0.91684892  0.13813678
   0.81252468  0.85258732  0.27429437
   0.66405030  0.64155299  0.46284911
   0.85910608  0.62334443  0.88305993
   0.60231898  0.92513567  0.63730281
   0.83200630  0.87114406  0.76105872
   0.07796884  0.06801212  0.13135462
   0.35659781  0.20104521  0.29156095
   0.13552513  0.30460788  0.04676019
   0.34517184  0.46324215  0.35488656
   0.50910837  0.35621216  0.20331112
   0.26434549  0.41691336  0.18542850
   0.25776059  0.10316376  0.45725100
   0.02238831  0.15485407  0.38151013
   0.03828045  0.05771184  0.56546344
   0.44651692  0.26578527  0.76684597
   0.13300234  0.30883698  0.52420653
   0.33767023  0.49178346  0.85135788
   0.41746320  0.49378620  0.67382917
   0.20636758  0.35017929  0.71359924
   0.30525726  0.23221632 -0.08356582
   0.04654303  0.15526292  0.90568126
   0.07523399  0.57373752  0.09452511
   0.38952645  0.70557122  0.27858814
   0.05677900  0.82547820  0.03890963
   0.36551502  0.94559973  0.33201809
   0.41973398  0.92388604  0.14893119
   0.17441832  0.83397991  0.20558805
   0.32945767  0.63997439  0.46899234
   0.07422205  0.67473527  0.41227779
   0.15265255  0.55510072  0.59235522
   0.29852536  0.73128264  0.78982985
   0.17132973  0.81794444  0.55412168
   0.38474904  1.01354497  0.81150684
   0.44378763  0.89951145  0.65036970
   0.18010441  0.92813479  0.70536762
   0.26705685  0.67257148 -0.01351439
   0.01687771  0.63887315  0.90954696
   0.61816442  0.06165422  0.10024098
   0.79154661  0.21538505  0.26812923
   0.60257311  0.32275993  0.03074652
   0.96162040  0.44174153  0.36428103
   0.01119481  0.36837501  0.19543931
   0.74410318  0.44125926  0.16370272
   0.76816936  0.16928189  0.45983469
   0.51368329  0.14154419  0.42991933
   0.61432908  0.07634294  0.59711598
   0.81363415  0.21004470  0.78817830
   0.57207939  0.35007235  0.53572924
   0.85460317  0.47000404  0.84883362
   0.95197308  0.39736832  0.66705880
   0.68223605  0.43698688  0.70105171
   0.79033450  0.15745654  0.96008305
   0.54218582  0.11228306  0.93176649
   0.52963004  0.56800117  0.06559079
   0.85909738  0.69810659  0.30773166
   0.61910051  0.81722456  0.05480793
   0.85102618  0.98007625  0.35308621
   0.90231952  0.88128221  0.17670470
   0.65327569  0.87007961  0.24459325
   0.82251436  0.59440360  0.47302970
   0.56971735  0.57896541  0.38509310
   0.59242159  0.61431899  0.56765795
   0.82624933  0.71246112  0.78870831
   0.64004757  0.81046436  0.44106134
   0.89476464  0.96035485  0.84150553
   0.92940015  0.87770069  0.66224767
   0.67098989  0.93067322  0.73959680
   0.74836445  0.65539357  0.96216243
   0.50450945  0.69766526  0.89942896
   0.65739527  0.82357185  0.57452711
   0.73918985  0.85585997  0.42303590
   0.86164258  0.23466406  0.09804072
   1.01439402  0.42527738  0.30287177
   0.31202059  0.13280914  0.65263799
   0.20292513  0.72073255  0.75650054
  -0.00135099  1.12780741  0.13301053
   0.21487939  1.01895962  0.00098105
   0.62990074  0.33277570  0.87508353
   0.89609260  0.45158601  0.62587547
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.706715    0.131726    0.092441
    -0.000000    9.870588    0.207484
    -0.000000    0.000000   14.175987
   Si   O    H 
    32    64    10
Direct configuration=  1117
   0.16651885  0.17409284 -0.02528724
   0.37379861  0.09436610  0.37397144
   0.13563765  0.41517529  0.12429371
   0.36737737  0.36032913  0.26562881
   0.10284831  0.15464710  0.48246062
   0.42099356  0.16248196  0.85417209
   0.11144407  0.39413638  0.62731089
   0.35206133  0.40123162  0.75488256
   0.10638206  0.67688437  0.00557073
   0.41245476  0.61855372  0.37149775
   0.05540967  0.90253725  0.13757221
   0.32999141  0.85423091  0.24155485
   0.18258881  0.67212007  0.50555284
   0.34725169  0.65119502  0.88464553
   0.07397326  0.91964026  0.61770721
   0.33138373  0.99234687  0.70448897
   0.63887166  0.16899198  1.00972384
   0.85087372  0.14089674  0.36403242
   0.59129073  0.42551151  0.11405164
   0.84659460  0.31536674  0.18780989
   0.60805035  0.18674625  0.51352132
   0.89165133  0.12322168  0.87171238
   0.56940650  0.46901080  0.61759445
   0.74530037  0.36228961  0.80442741
   0.59283086  0.67772509 -0.00430195
   0.93566780  0.59669928  0.38649520
   0.58169038  0.91649968  0.13756561
   0.81292441  0.85168048  0.27402374
   0.66375312  0.64237523  0.46367911
   0.85976628  0.62251229  0.88339808
   0.60266069  0.92565450  0.63663962
   0.83342653  0.86973072  0.76009677
   0.07804344  0.06875167  0.13119521
   0.35650813  0.19994416  0.29149570
   0.13317895  0.30582822  0.04712309
   0.34487389  0.46340752  0.35392622
   0.50715879  0.35648533  0.20367090
   0.26396698  0.41717251  0.18451837
   0.25816436  0.10367201  0.45539771
   0.02403184  0.15555937  0.38018708
   0.03887191  0.05742726  0.56493423
   0.44687882  0.26622305  0.76748027
   0.13331652  0.30923633  0.52433759
   0.33780424  0.49152198  0.85188001
   0.41814325  0.49518856  0.67402980
   0.20753599  0.35243135  0.71331138
   0.30378574  0.23216426 -0.08256971
   0.04827054  0.15311073  0.90488773
   0.07500040  0.57655962  0.09607262
   0.38947385  0.70583529  0.27944760
   0.05777490  0.82397934  0.03866852
   0.36410296  0.94468886  0.33222864
   0.41577032  0.92320577  0.14890756
   0.17526617  0.83238394  0.20450342
   0.33062960  0.64031678  0.46815041
   0.07396992  0.67343785  0.41199529
   0.15211635  0.55338140  0.59276384
   0.29891976  0.73107531  0.78977475
   0.17149027  0.81794084  0.55383911
   0.38373901  1.01399033  0.81188004
   0.44238160  0.89900977  0.65101204
   0.17853033  0.92673948  0.70481104
   0.26694511  0.67266231 -0.01359155
   0.01885016  0.63792476  0.91103094
   0.61937252  0.06177290  0.10107559
   0.79172152  0.21818112  0.26845306
   0.60186332  0.32236181  0.02991105
   0.96095340  0.44155145  0.36445026
   0.01149253  0.36843751  0.19571080
   0.74334218  0.44131839  0.16368778
   0.76932114  0.16838882  0.46103537
   0.51256014  0.14246708  0.42929808
   0.61339769  0.07480894  0.59774451
   0.81322722  0.20836471  0.78788121
   0.57255198  0.34988710  0.53488181
   0.85393693  0.47008651  0.84925886
   0.95311128  0.39561211  0.66733951
   0.68110948  0.43665530  0.70051335
   0.79059689  0.15854428  0.96163420
   0.54382579  0.11165235  0.93329184
   0.53103967  0.56828175  0.06646029
   0.85647063  0.69641498  0.30734215
   0.61845581  0.81848891  0.05320035
   0.85067055  0.97859031  0.35222431
   0.90043386  0.88049632  0.17691205
   0.65470390  0.87124026  0.24525456
   0.82220273  0.59608400  0.47230692
   0.57035703  0.57783215  0.38535476
   0.59209548  0.61565676  0.56758797
   0.82521461  0.71206110  0.78848937
   0.63958148  0.80972146  0.44193822
   0.89509602  0.95867862  0.84182518
   0.92983176  0.87819127  0.66289459
   0.66916854  0.93114303  0.73914695
   0.74796426  0.65594544  0.96255782
   0.50470434  0.69965965  0.89842500
   0.65059895  0.81958808  0.57603191
   0.72915184  0.85739213  0.42886022
   0.86007642  0.23316934  0.10621530
   1.00482041  0.42159042  0.30259969
   0.30871261  0.12938012  0.64624233
   0.21248496  0.71698908  0.76161567
  -0.00608405  1.13650379  0.13716265
   0.20372390  1.01824288 -0.00086592
   0.63827399  0.33052645  0.86918243
   0.90392463  0.45047287  0.62571896
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.705764    0.129478    0.090351
    -0.000000    9.870496    0.205032
    -0.000000    0.000000   14.175060
   Si   O    H 
    32    64    10
Direct configuration=  1118
   0.16707500  0.17430548 -0.02572939
   0.37515862  0.09366449  0.37372836
   0.13617537  0.41434399  0.12633619
   0.36821252  0.35912288  0.26598113
   0.10356316  0.15480595  0.48168302
   0.42196543  0.16433241  0.85364724
   0.11170118  0.39374887  0.62795728
   0.35172875  0.39921073  0.75488170
   0.10492012  0.67760904  0.00578049
   0.41245727  0.61687542  0.37166757
   0.05522970  0.90140600  0.13752819
   0.32864490  0.85458564  0.24079298
   0.18235043  0.67210111  0.50534654
   0.34598495  0.65253341  0.88471947
   0.07328571  0.91987512  0.61801796
   0.33173990  0.99113536  0.70391703
   0.63903430  0.16899177  1.01076600
   0.85194500  0.14152611  0.36416534
   0.58990979  0.42500850  0.11338673
   0.84617853  0.31488315  0.18795800
   0.60814206  0.18984718  0.51285233
   0.89210435  0.12201765  0.87065824
   0.57029234  0.46891707  0.61886877
   0.74586049  0.36330888  0.80403935
   0.59223249  0.67969836 -0.00435239
   0.93550702  0.59696961  0.38628062
   0.58148668  0.91595618  0.13755659
   0.81333971  0.85152261  0.27393604
   0.66331745  0.64353811  0.46424229
   0.85995052  0.62120988  0.88372999
   0.60260052  0.92592980  0.63577286
   0.83482426  0.86902341  0.75901822
   0.07693708  0.06907581  0.13101619
   0.35594563  0.19805639  0.29092897
   0.13122590  0.30657543  0.04714897
   0.34513352  0.46331566  0.35274477
   0.50513347  0.35657344  0.20335271
   0.26412155  0.41762914  0.18438777
   0.25800967  0.10386119  0.45422577
   0.02489452  0.15602994  0.37866971
   0.03888254  0.05747405  0.56458594
   0.44761170  0.26604934  0.76769518
   0.13319425  0.31006456  0.52468358
   0.33909312  0.49139517  0.85213743
   0.41964489  0.49611837  0.67442129
   0.20814193  0.35405080  0.71305839
   0.30187959  0.23181399 -0.08158032
   0.04919649  0.15107324  0.90362323
   0.07469224  0.57867846  0.09754529
   0.38902906  0.70631824  0.28001722
   0.05858887  0.82322560  0.03828134
   0.36282965  0.94337491  0.33187607
   0.41169244  0.92195245  0.14970055
   0.17664736  0.83048461  0.20338981
   0.33255964  0.64099439  0.46763407
   0.07483967  0.67203434  0.41206998
   0.15180061  0.55189929  0.59306255
   0.29883936  0.73126038  0.79042361
   0.17196212  0.81758198  0.55315713
   0.38152797  1.01471871  0.81196061
   0.44037696  0.89855922  0.65114892
   0.17768242  0.92620226  0.70465425
   0.26645490  0.67266081 -0.01421345
   0.02121018  0.63748613  0.91256740
   0.62175960  0.06299912  0.10159090
   0.79204742  0.21990410  0.26899479
   0.60073179  0.32172124  0.02962829
   0.96106327  0.44105562  0.36523036
   0.01103544  0.36806255  0.19560510
   0.74293017  0.44182646  0.16308986
   0.77000255  0.16816105  0.46315491
   0.51183083  0.14365382  0.42884761
   0.61265247  0.07403555  0.59828484
   0.81367416  0.20684845  0.78687522
   0.57319636  0.34930631  0.53427988
   0.85366871  0.46879094  0.84966442
   0.95433833  0.39350502  0.66754004
   0.68002264  0.43677422  0.69978160
   0.79114554  0.15882950  0.96294436
   0.54471378  0.11129941  0.93324150
   0.53200693  0.56827710  0.06737373
   0.85409217  0.69461393  0.30703896
   0.61851870  0.81968366  0.05113823
   0.84998745  0.97608963  0.35139198
   0.89873300  0.87960832  0.17737005
   0.65609902  0.87312114  0.24600542
   0.82053945  0.59704637  0.47152847
   0.57173878  0.57603382  0.38553038
   0.59214765  0.61721536  0.56715341
   0.82410643  0.71163492  0.78813273
   0.63949266  0.80855816  0.44317581
   0.89556806  0.95849782  0.84204208
   0.92972314  0.87821930  0.66359886
   0.66882674  0.93161139  0.73900302
   0.74733376  0.65560801  0.96287530
   0.50487233  0.70157252  0.89785731
   0.64741714  0.81507734  0.57877965
   0.71444956  0.85502840  0.43515837
   0.86136957  0.23084730  0.11168524
   0.99693319  0.41876692  0.30094292
   0.30724493  0.12091345  0.64173889
   0.21679324  0.71244682  0.76325833
  -0.00331379  1.13642648  0.13665006
   0.19649135  1.02824812 -0.00246751
   0.64322245  0.33285119  0.86331873
   0.89860998  0.45728985  0.62193911
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.704780    0.127397    0.088007
    -0.000000    9.870401    0.203185
    -0.000000    0.000000   14.174582
   Si   O    H 
    32    64    10
Direct configuration=  1119
   0.16772930  0.17426742 -0.02595223
   0.37693241  0.09297426  0.37343129
   0.13642019  0.41432692  0.12757567
   0.36824918  0.35833909  0.26609968
   0.10457697  0.15501154  0.48107207
   0.42263269  0.16542471  0.85351252
   0.11196566  0.39333221  0.62851605
   0.35111655  0.39746079  0.75543222
   0.10416855  0.67833042  0.00612493
   0.41253196  0.61444919  0.37175537
   0.05518893  0.90045088  0.13729896
   0.32700816  0.85486129  0.24036047
   0.18167829  0.67167257  0.50537985
   0.34449032  0.65386744  0.88467944
   0.07316712  0.91943270  0.61841518
   0.33169024  0.99026674  0.70338158
   0.64006646  0.16921473  1.01165403
   0.85246048  0.14219688  0.36434064
   0.58834600  0.42478572  0.11311628
   0.84570718  0.31518368  0.18775837
   0.60949435  0.19248138  0.51246148
   0.89257563  0.12119011  0.86990258
   0.57111016  0.46831308  0.61976641
   0.74729035  0.36387419  0.80349461
   0.59217710  0.68188101 -0.00456925
   0.93567519  0.59730545  0.38567152
   0.58106764  0.91476658  0.13787443
   0.81375956  0.85228955  0.27378126
   0.66295154  0.64453073  0.46502896
   0.85981275  0.62001787  0.88369039
   0.60250246  0.92502385  0.63480701
   0.83525813  0.86819863  0.75840177
   0.07582331  0.07001002  0.13081057
   0.35549053  0.19634530  0.28972121
   0.12928980  0.30688460  0.04662389
   0.34548338  0.46292356  0.35159354
   0.50323727  0.35770083  0.20283897
   0.26528454  0.41786572  0.18426496
   0.25735870  0.10421008  0.45287029
   0.02501736  0.15638476  0.37823566
   0.03920863  0.05782013  0.56415207
   0.44902232  0.26554459  0.76831488
   0.13290715  0.31047341  0.52547788
   0.34009920  0.49158254  0.85272936
   0.42090687  0.49716138  0.67505771
   0.20938418  0.35484844  0.71269696
   0.29981938  0.23184177 -0.08066790
   0.04879295  0.14902230  0.90241900
   0.07425763  0.57903667  0.09872330
   0.38880596  0.70706054  0.28038412
   0.05896674  0.82341939  0.03794965
   0.36137335  0.94244976  0.33176787
   0.40738787  0.91979975  0.15054299
   0.17746642  0.82932811  0.20291128
   0.33465615  0.64242212  0.46666980
   0.07656725  0.67112129  0.41231512
   0.15165204  0.55035957  0.59286664
   0.29898724  0.73117706  0.79116495
   0.17173799  0.81773528  0.55260965
   0.37893114  1.01609531  0.81226229
   0.43853511  0.89770668  0.65106056
   0.17678844  0.92596129  0.70456688
   0.26621030  0.67276619 -0.01473441
   0.02335600  0.63737395  0.91367706
   0.62504149  0.06432994  0.10166658
   0.79164775  0.22078689  0.27001261
   0.60040046  0.32165799  0.02912561
   0.96121357  0.43990936  0.36582307
   0.00999396  0.36725515  0.19592023
   0.74268236  0.44171990  0.16289339
   0.76994367  0.16857876  0.46484922
   0.51117316  0.14436022  0.42820683
   0.61317010  0.07472864  0.59826720
   0.81468320  0.20509031  0.78606903
   0.57333476  0.34877610  0.53353627
   0.85357197  0.46786873  0.85013029
   0.95417479  0.39148955  0.66726596
   0.67943997  0.43654388  0.69959452
   0.79188952  0.15987139  0.96490650
   0.54484420  0.11160759  0.93305667
   0.53262187  0.56704887  0.06863882
   0.85172303  0.69223645  0.30632916
   0.61904506  0.82043438  0.04970232
   0.84858598  0.97363900  0.35058372
   0.89750230  0.87886428  0.17790566
   0.65677822  0.87524653  0.24673656
   0.81884772  0.59863383  0.47104097
   0.57260592  0.57372083  0.38566955
   0.59279925  0.61814055  0.56672517
   0.82395789  0.71088972  0.78788501
   0.63773752  0.80603811  0.44380093
   0.89547482  0.95887415  0.84235333
   0.92944109  0.87877381  0.66442085
   0.66987566  0.93213428  0.73885231
   0.74712277  0.65498661  0.96362770
   0.50462814  0.70231653  0.89745639
   0.64390559  0.80890631  0.57932419
   0.72366342  0.86745568  0.43619386
   0.86156800  0.22311908  0.11035790
   0.99284279  0.41494145  0.30216044
   0.31016194  0.11400092  0.64178102
   0.20723901  0.70514082  0.75890668
   0.00276713  1.13054966  0.13543959
   0.19410536  1.04099829 -0.00339998
   0.63828388  0.33237189  0.86307374
   0.89879621  0.45687620  0.62508894
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.703996    0.125503    0.085833
    -0.000000    9.870266    0.201112
    -0.000000    0.000000   14.174164
   Si   O    H 
    32    64    10
Direct configuration=  1120
   0.16819294  0.17440867 -0.02570302
   0.37846693  0.09238374  0.37297461
   0.13614532  0.41469984  0.12851670
   0.36798028  0.35751732  0.26641730
   0.10520032  0.15487031  0.48083756
   0.42329792  0.16542943  0.85413063
   0.11261418  0.39318433  0.62906211
   0.35032012  0.39625585  0.75596655
   0.10405005  0.67908781  0.00651688
   0.41244638  0.61132679  0.37122173
   0.05460762  0.89946837  0.13742469
   0.32566925  0.85488880  0.23974537
   0.18070606  0.67089910  0.50544829
   0.34306501  0.65511376  0.88457403
   0.07343295  0.91975046  0.61827098
   0.33196086  0.98952060  0.70299394
   0.64049667  0.16914968  1.01245918
   0.85349063  0.14225969  0.36443529
   0.58674927  0.42419503  0.11317894
   0.84462795  0.31616985  0.18744101
   0.61057662  0.19456952  0.51213261
   0.89256704  0.12005178  0.86943238
   0.57139923  0.46828834  0.62041845
   0.74882477  0.36458750  0.80278543
   0.59185132  0.68378025 -0.00460694
   0.93542056  0.59677257  0.38548537
   0.58055479  0.91447732  0.13805677
   0.81387823  0.85300395  0.27370932
   0.66186234  0.64620481  0.46587773
   0.85996300  0.61847461  0.88359214
   0.60219226  0.92359627  0.63386623
   0.83516275  0.86809557  0.75758389
   0.07538412  0.07009352  0.13034960
   0.35468161  0.19543266  0.28876305
   0.12833347  0.30615494  0.04605446
   0.34552996  0.46243332  0.34995463
   0.50228671  0.35816757  0.20226208
   0.26747490  0.41810260  0.18462706
   0.25663515  0.10371185  0.45167971
   0.02391734  0.15631547  0.37746178
   0.03900412  0.05820231  0.56461703
   0.45083101  0.26604986  0.76874140
   0.13213709  0.31060317  0.52668657
   0.34104089  0.49146827  0.85379601
   0.42218273  0.49794134  0.67521199
   0.20985970  0.35612284  0.71245748
   0.29851385  0.23182739 -0.08031690
   0.04729916  0.14863482  0.90112633
   0.07435493  0.57912665  0.09960313
   0.38882121  0.70816491  0.28082952
   0.05994893  0.82368784  0.03804184
   0.36025390  0.94175716  0.33186116
   0.40449599  0.91689673  0.15152430
   0.17759105  0.82777155  0.20227643
   0.33672896  0.64432494  0.46610472
   0.07865452  0.67011671  0.41282237
   0.15111840  0.54943379  0.59235846
   0.29873468  0.73155754  0.79151298
   0.17116497  0.81793277  0.55289907
   0.37555852  1.01781564  0.81217594
   0.43713543  0.89595966  0.65082977
   0.17647965  0.92575196  0.70460121
   0.26617286  0.67280543 -0.01457073
   0.02489694  0.63737137  0.91482615
   0.62743629  0.06635436  0.10216090
   0.79084165  0.21991923  0.27156205
   0.59885638  0.32208773  0.02906185
   0.96158388  0.43850628  0.36655213
   0.00829067  0.36721174  0.19575050
   0.74234833  0.44163406  0.16267185
   0.76983575  0.16896276  0.46665819
   0.50955442  0.14364450  0.42748417
   0.61286463  0.07584978  0.59795973
   0.81597018  0.20399380  0.78521259
   0.57453884  0.34807886  0.53311415
   0.85410102  0.46689586  0.85024758
   0.95324110  0.39030274  0.66661897
   0.68011799  0.43642304  0.70002135
   0.79295649  0.16067919  0.96662791
   0.54432227  0.11230129  0.93247608
   0.53287547  0.56556289  0.06993145
   0.85019891  0.69039673  0.30547745
   0.62002414  0.82082764  0.04950232
   0.84719989  0.97113148  0.34996273
   0.89696837  0.87841666  0.17814581
   0.65638959  0.87717436  0.24700060
   0.81780820  0.59934575  0.47121312
   0.57264134  0.57200775  0.38600129
   0.59282354  0.61826034  0.56695052
   0.82458794  0.71021527  0.78783359
   0.63704516  0.80409567  0.44447150
   0.89530042  0.95929980  0.84235256
   0.92786323  0.87848795  0.66479065
   0.67220660  0.93198268  0.73893882
   0.74722530  0.65374339  0.96438835
   0.50365518  0.70328839  0.89676251
   0.63738241  0.80768592  0.58142773
   0.72279850  0.87077501  0.44021593
   0.86046525  0.21621259  0.10958735
   0.99043644  0.40888896  0.30029774
   0.31396481  0.10416447  0.64303581
   0.21177464  0.70176427  0.75760766
  -0.00127887  1.13265918  0.13729743
   0.20054628  1.04500395 -0.00030719
   0.62697718  0.33254839  0.86559543
   0.90062453  0.45108292  0.63238495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.703454    0.123633    0.083766
    -0.000000    9.870416    0.199305
    -0.000000    0.000000   14.173711
   Si   O    H 
    32    64    10
Direct configuration=  1121
   0.16877042  0.17447346 -0.02561232
   0.37976398  0.09168767  0.37298314
   0.13430077  0.41502396  0.12920853
   0.36741469  0.35693233  0.26732689
   0.10611267  0.15510029  0.48094087
   0.42387035  0.16493862  0.85439487
   0.11269560  0.39268702  0.62897902
   0.34980737  0.39634122  0.75656876
   0.10462170  0.67956088  0.00671544
   0.41205708  0.60853976  0.37073979
   0.05365459  0.89880625  0.13792572
   0.32439130  0.85430356  0.23910247
   0.17907891  0.67044485  0.50559435
   0.34237408  0.65607007  0.88431429
   0.07387216  0.91994331  0.61808536
   0.33174940  0.98915684  0.70281508
   0.64105713  0.16863676  1.01314819
   0.85465886  0.14196717  0.36462442
   0.58493637  0.42441906  0.11352897
   0.84456900  0.31684356  0.18705762
   0.61096726  0.19637541  0.51158293
   0.89269342  0.11918558  0.86920927
   0.57137107  0.46815821  0.62077389
   0.75033393  0.36512993  0.80175842
   0.59176746  0.68505194 -0.00483391
   0.93435336  0.59646825  0.38511178
   0.57970838  0.91427036  0.13864871
   0.81440138  0.85371022  0.27373195
   0.66071762  0.64742643  0.46697743
   0.86006413  0.61715751  0.88337104
   0.60188499  0.92189067  0.63260477
   0.83461351  0.86774673  0.75648281
   0.07521286  0.06970026  0.12981505
   0.35374818  0.19532981  0.28806867
   0.12759800  0.30528238  0.04544490
   0.34608962  0.46168620  0.34839761
   0.50146447  0.35881007  0.20133226
   0.26980258  0.41834299  0.18571278
   0.25552426  0.10257537  0.45032607
   0.02247209  0.15555176  0.37676015
   0.03840519  0.05966425  0.56475221
   0.45232686  0.26630004  0.76903915
   0.13074230  0.30965982  0.52769989
   0.34175298  0.49129607  0.85434247
   0.42421365  0.49836672  0.67511278
   0.20996501  0.35777947  0.71231254
   0.29776873  0.23062894 -0.08032430
   0.04622514  0.14859162  0.89943286
   0.07547886  0.57891422  0.10086334
   0.38888274  0.70930478  0.28118274
   0.05993610  0.82454771  0.03784012
   0.36005159  0.94054771  0.33154239
   0.40267274  0.91436811  0.15174228
   0.17794013  0.82690637  0.20133557
   0.33901751  0.64597488  0.46562833
   0.08047682  0.66923785  0.41368604
   0.14992272  0.54982711  0.59172202
   0.29763057  0.73255550  0.79115722
   0.17069022  0.81783543  0.55233569
   0.37248643  1.02016213  0.81213316
   0.43582330  0.89307297  0.65025553
   0.17600523  0.92544175  0.70518087
   0.26671285  0.67291276 -0.01438689
   0.02458757  0.63723929  0.91549616
   0.62978951  0.06870344  0.10253627
   0.78971307  0.21872336  0.27361844
   0.59762540  0.32263877  0.02874302
   0.96239024  0.43705968  0.36666070
   0.00690116  0.36647010  0.19584886
   0.74166944  0.44177757  0.16296845
   0.77026386  0.16928339  0.46843986
   0.50812291  0.14254331  0.42704410
   0.61184275  0.07688704  0.59743727
   0.81683300  0.20376750  0.78431970
   0.57554281  0.34796051  0.53231587
   0.85547736  0.46559530  0.84995678
   0.95318280  0.38931529  0.66635816
   0.68097786  0.43566008  0.70049157
   0.79392752  0.16042501  0.96775829
   0.54370059  0.11295708  0.93129780
   0.53311870  0.56443097  0.07131687
   0.84882600  0.68932990  0.30462376
   0.62045980  0.82161984  0.04996601
   0.84617739  0.96948595  0.35000827
   0.89731226  0.87766681  0.17809681
   0.65503342  0.87887214  0.24629154
   0.81732886  0.60031247  0.47133466
   0.57255688  0.56987629  0.38624270
   0.59238746  0.61738403  0.56722884
   0.82560095  0.70941627  0.78769139
   0.63770549  0.80282933  0.44457496
   0.89526849  0.95925467  0.84216306
   0.92665686  0.87691670  0.66444742
   0.67517060  0.93191738  0.73907664
   0.74854611  0.65229502  0.96494226
   0.50240479  0.70416959  0.89707901
   0.63103664  0.80557159  0.58180498
   0.71280725  0.86802368  0.44237099
   0.85951505  0.21023339  0.10977716
   0.98826409  0.40540273  0.30074368
   0.32090418  0.10216025  0.64397293
   0.22289650  0.70219262  0.75942344
  -0.00639234  1.13660542  0.13870996
   0.21396105  1.04154806  0.00577518
   0.62148647  0.33477853  0.86695148
   0.89079648  0.45140037  0.63316035
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.702611    0.121799    0.082214
    -0.000000    9.870471    0.197033
    -0.000000    0.000000   14.173413
   Si   O    H 
    32    64    10
Direct configuration=  1122
   0.16910334  0.17506117 -0.02533766
   0.38099649  0.09087332  0.37329699
   0.13218955  0.41477145  0.12946881
   0.36661193  0.35595631  0.26811186
   0.10676689  0.15525836  0.48093241
   0.42493681  0.16368842  0.85515565
   0.11202533  0.39259705  0.62855708
   0.35004493  0.39729177  0.75697933
   0.10537213  0.67950492  0.00721665
   0.41169069  0.60580455  0.37006253
   0.05316741  0.89830964  0.13878896
   0.32341099  0.85382674  0.23860993
   0.17785616  0.66977886  0.50564956
   0.34211795  0.65636879  0.88426785
   0.07408539  0.92014737  0.61841325
   0.33120249  0.98930749  0.70286153
   0.64187823  0.16878613  1.01380598
   0.85599860  0.14197031  0.36457705
   0.58317250  0.42455018  0.11419090
   0.84474280  0.31700313  0.18656974
   0.61126827  0.19676069  0.51114380
   0.89191553  0.11800903  0.86916820
   0.57181429  0.46811584  0.62129571
   0.75153536  0.36531194  0.80048576
   0.59123305  0.68567601 -0.00538928
   0.93320151  0.59587561  0.38411945
   0.57853231  0.91386652  0.13930959
   0.81501296  0.85419586  0.27385662
   0.66007501  0.64855706  0.46749533
   0.86146235  0.61680170  0.88352475
   0.60125300  0.92020827  0.63172148
   0.83321599  0.86723694  0.75540867
   0.07443217  0.06889595  0.12995989
   0.35230028  0.19535962  0.28804233
   0.12651805  0.30352612  0.04438937
   0.34605466  0.46066495  0.34702979
   0.50050500  0.35956026  0.20035679
   0.27196568  0.41866196  0.18639870
   0.25405526  0.10172734  0.44930459
   0.02022870  0.15470396  0.37676458
   0.03768346  0.06146409  0.56463654
   0.45461549  0.26645463  0.76917606
   0.12978123  0.30857786  0.52866564
   0.34196857  0.49036879  0.85435457
   0.42565284  0.49885982  0.67518714
   0.20964242  0.35949614  0.71270275
   0.29823549  0.22984164 -0.08091163
   0.04594032  0.14919634  0.89828051
   0.07690302  0.57823908  0.10243064
   0.38898980  0.71037786  0.28164436
   0.05875523  0.82495189  0.03753913
   0.36052687  0.94003140  0.33067668
   0.40195907  0.91204668  0.15159255
   0.17743362  0.82537724  0.20080338
   0.34072500  0.64804698  0.46499511
   0.08151693  0.66906737  0.41467738
   0.14755962  0.55038517  0.59100415
   0.29793861  0.73494872  0.79026912
   0.17012450  0.81747035  0.55197686
   0.36961427  1.02192382  0.81195650
   0.43515372  0.89023554  0.64982750
   0.17513616  0.92576492  0.70657698
   0.26814240  0.67306127 -0.01480957
   0.02346980  0.63680228  0.91550067
   0.63183327  0.07057363  0.10325578
   0.78860553  0.21779717  0.27530434
   0.59594517  0.32305515  0.02811523
   0.96288504  0.43566315  0.36661843
   0.00554923  0.36618562  0.19592929
   0.74113744  0.44232861  0.16425178
   0.77189550  0.16914187  0.46918358
   0.50755442  0.14172924  0.42723188
   0.61073183  0.07843613  0.59702086
   0.81807594  0.20454665  0.78376385
   0.57603128  0.34809752  0.53210459
   0.85636887  0.46471466  0.84963726
   0.95428657  0.38850818  0.66660311
   0.68189935  0.43470916  0.70163671
   0.79574906  0.16025485  0.96851658
   0.54264360  0.11480254  0.92969754
   0.53379382  0.56516871  0.07204838
   0.84691706  0.68907355  0.30392233
   0.62052213  0.82193175  0.05055321
   0.84597410  0.96840522  0.35065102
   0.89866054  0.87707568  0.17776616
   0.65348874  0.88115205  0.24458580
   0.81676681  0.60127292  0.47102054
   0.57332889  0.56885547  0.38657039
   0.59224053  0.61669027  0.56812883
   0.82689075  0.70988662  0.78755003
   0.63845050  0.80218701  0.44439647
   0.89487193  0.95900156  0.84205051
   0.92594762  0.87440471  0.66389451
   0.67848845  0.93111518  0.73928443
   0.74963254  0.65091518  0.96554392
   0.50080779  0.70532266  0.89742076
   0.63074234  0.80083967  0.58288904
   0.70392440  0.86431578  0.44500818
   0.85912198  0.20581324  0.11414188
   0.99005510  0.40356242  0.30503553
   0.32916326  0.10964174  0.64222734
   0.22374583  0.69917443  0.75621152
  -0.00883247  1.13498791  0.14003900
   0.22537611  1.03803698  0.01168543
   0.62204205  0.33994453  0.86656016
   0.87930055  0.45052301  0.63508506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.702009    0.120033    0.080483
    -0.000000    9.869876    0.194548
    -0.000000    0.000000   14.173143
   Si   O    H 
    32    64    10
Direct configuration=  1123
   0.16946214  0.17591396 -0.02520715
   0.38102404  0.09004956  0.37353152
   0.13026846  0.41462310  0.12942735
   0.36562061  0.35458630  0.26887189
   0.10692353  0.15545092  0.48090192
   0.42544059  0.16228353  0.85603860
   0.11147626  0.39247494  0.62825851
   0.35098906  0.39847265  0.75743532
   0.10568775  0.67969376  0.00780285
   0.41101710  0.60281569  0.36986068
   0.05305570  0.89835346  0.13927936
   0.32244552  0.85318174  0.23888079
   0.17717827  0.66857553  0.50583440
   0.34173554  0.65628767  0.88411727
   0.07394983  0.92064999  0.61867958
   0.33059245  0.98949515  0.70300608
   0.64235889  0.16901571  1.01398651
   0.85700696  0.14160237  0.36452459
   0.58174987  0.42414953  0.11511161
   0.84462110  0.31709946  0.18588245
   0.61162862  0.19625372  0.51069576
   0.89109207  0.11647841  0.86934812
   0.57208567  0.46765121  0.62204964
   0.75172737  0.36491042  0.79892393
   0.59057482  0.68602986 -0.00591552
   0.93280766  0.59529132  0.38342788
   0.57772683  0.91364525  0.13981248
   0.81475638  0.85498913  0.27449865
   0.65967295  0.64960667  0.46759776
   0.86339826  0.61676009  0.88335630
   0.60029603  0.91903897  0.63112279
   0.83168083  0.86706673  0.75483352
   0.07370220  0.06722286  0.13047619
   0.35054903  0.19531458  0.28803427
   0.12557263  0.30254230  0.04276555
   0.34563759  0.45981872  0.34627979
   0.50047763  0.36048548  0.19925317
   0.27307157  0.41914720  0.18678745
   0.25325915  0.10205137  0.44877529
   0.01809968  0.15338528  0.37719767
   0.03725612  0.06212246  0.56472742
   0.45655003  0.26622071  0.76949357
   0.12946772  0.30699932  0.53007850
   0.34196981  0.48905563  0.85381175
   0.42767089  0.49904712  0.67479920
   0.20826095  0.36071156  0.71315536
   0.29953621  0.22889154 -0.08155386
   0.04536116  0.15056939  0.89670417
   0.07801682  0.57759668  0.10398554
   0.38908854  0.71108466  0.28234527
   0.05757831  0.82632527  0.03673737
   0.36112660  0.93994234  0.33055882
   0.40230385  0.91010707  0.15116865
   0.17597758  0.82344943  0.20029860
   0.34133175  0.65009483  0.46482129
   0.08260200  0.66901613  0.41558715
   0.14500655  0.55161294  0.59056370
   0.29812059  0.73761983  0.78957813
   0.16971464  0.81778953  0.55180421
   0.36720126  1.02331549  0.81136460
   0.43497298  0.88806768  0.64930047
   0.17378523  0.92667703  0.70752978
   0.26899261  0.67368376 -0.01481456
   0.02261014  0.63697487  0.91510481
   0.63338066  0.07237247  0.10469671
   0.78652094  0.21750640  0.27672303
   0.59453992  0.32348784  0.02785020
   0.96326981  0.43453068  0.36685919
   0.00427513  0.36645791  0.19563659
   0.74030021  0.44274105  0.16565786
   0.77312350  0.16836188  0.46952576
   0.50723891  0.14128714  0.42842248
   0.61021832  0.08008666  0.59690215
   0.82022434  0.20532264  0.78381465
   0.57666379  0.34830033  0.53202841
   0.85724684  0.46423954  0.84976220
   0.95444299  0.38756267  0.66659848
   0.68354893  0.43372750  0.70301389
   0.79793041  0.16058860  0.96887482
   0.54147772  0.11563264  0.92846617
   0.53455676  0.56653830  0.07203804
   0.84496370  0.68950434  0.30365633
   0.62047950  0.82262498  0.05124675
   0.84580204  0.96688152  0.35154743
   0.90048829  0.87612372  0.17724411
   0.65216833  0.88245105  0.24267327
   0.81653777  0.60159792  0.47065174
   0.57369314  0.56800690  0.38711623
   0.59254468  0.61501269  0.56973439
   0.82803163  0.71013632  0.78788700
   0.63835756  0.80089053  0.44469124
   0.89493775  0.95896329  0.84232091
   0.92573585  0.87165670  0.66340539
   0.68119386  0.92979452  0.73927813
   0.75114909  0.64920900  0.96568615
   0.49960582  0.70624481  0.89848505
   0.63645552  0.79611583  0.58297112
   0.71047146  0.87771825  0.44530452
   0.85796773  0.20429024  0.11995641
   0.99587982  0.40186908  0.30765338
   0.33676539  0.11817908  0.63995273
   0.22092990  0.69458358  0.75031428
  -0.00569198  1.12915194  0.14127595
   0.23407480  1.04169362  0.01530342
   0.63222789  0.35088214  0.86258450
   0.87693009  0.44452570  0.63861399
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.701907    0.118418    0.078551
    -0.000000    9.869392    0.192317
    -0.000000    0.000000   14.172558
   Si   O    H 
    32    64    10
Direct configuration=  1124
   0.16982345  0.17639992 -0.02506649
   0.38094713  0.08936583  0.37374419
   0.12879659  0.41451097  0.12904451
   0.36490914  0.35364508  0.26871659
   0.10713147  0.15648969  0.48115091
   0.42494709  0.16024005  0.85689912
   0.11057869  0.39313889  0.62752142
   0.35194813  0.39990688  0.75809808
   0.10521605  0.67934070  0.00845647
   0.41074549  0.60039827  0.36969444
   0.05301305  0.89807804  0.13958896
   0.32253508  0.85238816  0.23957614
   0.17748486  0.66746705  0.50676573
   0.34159253  0.65576386  0.88353005
   0.07412830  0.92133814  0.61906754
   0.32979822  0.98992452  0.70262497
   0.64279882  0.16875904  1.01400848
   0.85725905  0.14122017  0.36449107
   0.58078959  0.42331547  0.11623729
   0.84462860  0.31718713  0.18555610
   0.61257242  0.19567882  0.51009812
   0.89020970  0.11556867  0.86926178
   0.57191733  0.46730192  0.62252213
   0.75188221  0.36461875  0.79768642
   0.58988102  0.68649716 -0.00618222
   0.93206954  0.59478469  0.38267877
   0.57711677  0.91443138  0.14013739
   0.81470803  0.85509926  0.27501429
   0.65928731  0.65023234  0.46786001
   0.86522840  0.61681839  0.88308803
   0.59938343  0.91842621  0.63065228
   0.82961624  0.86707644  0.75482002
   0.07232890  0.06496145  0.13214184
   0.34859510  0.19483723  0.28825362
   0.12474940  0.30219687  0.04119949
   0.34516829  0.45871774  0.34615994
   0.50052492  0.36163003  0.19818488
   0.27329281  0.41931389  0.18733859
   0.25258009  0.10234727  0.44865940
   0.01679687  0.15250942  0.37808578
   0.03816805  0.06264479  0.56419092
   0.45732965  0.26642770  0.77032570
   0.12904824  0.30520152  0.53116754
   0.34246482  0.48780484  0.85325765
   0.42829081  0.49857361  0.67495676
   0.20684994  0.36086610  0.71425667
   0.30080301  0.22866885 -0.08224203
   0.04510268  0.15130375  0.89551202
   0.07914169  0.57644270  0.10504931
   0.38925066  0.71095427  0.28359626
   0.05574837  0.82773805  0.03579775
   0.36139671  0.94026219  0.33045891
   0.40353079  0.90827350  0.15079278
   0.17458463  0.82170014  0.20001511
   0.34083813  0.65200025  0.46519270
   0.08322037  0.66921270  0.41609068
   0.14252241  0.55232058  0.58989049
   0.29735329  0.73979315  0.78847975
   0.16965256  0.81844650  0.55178869
   0.36460669  1.02425457  0.81052870
   0.43450452  0.88606078  0.64838997
   0.17327441  0.92686239  0.70816955
   0.26900207  0.67493035 -0.01503526
   0.02131470  0.63705035  0.91492675
   0.63406953  0.07418910  0.10594345
   0.78478275  0.21733511  0.27816790
   0.59345204  0.32344668  0.02748007
   0.96335232  0.43457744  0.36747868
   0.00190931  0.36702048  0.19531120
   0.74011952  0.44320808  0.16732863
   0.77442538  0.16714991  0.46964294
   0.50736388  0.14069014  0.42941054
   0.61003007  0.08155884  0.59655678
   0.82258735  0.20642962  0.78410013
   0.57666355  0.34925488  0.53204810
   0.85920024  0.46331189  0.85012077
   0.95448684  0.38765520  0.66603627
   0.68593003  0.43340336  0.70422047
   0.80027354  0.16101488  0.96903150
   0.54100564  0.11614107  0.92687343
   0.53526644  0.56817853  0.07181563
   0.84459287  0.69012052  0.30366711
   0.61996427  0.82330152  0.05184604
   0.84580161  0.96572367  0.35253094
   0.90185313  0.87533375  0.17659646
   0.65117122  0.88338997  0.24024425
   0.81682287  0.60098446  0.47050164
   0.57392866  0.56791982  0.38757329
   0.59284422  0.61231694  0.57164629
   0.82899507  0.70960149  0.78812568
   0.63818162  0.80119931  0.44504970
   0.89486313  0.95862772  0.84211439
   0.92518292  0.86857049  0.66293491
   0.68326824  0.92863115  0.73892291
   0.75296331  0.64727791  0.96598965
   0.49852624  0.70692309  0.89979579
   0.64465522  0.79581274  0.58405623
   0.70856075  0.88273687  0.44299604
   0.85661895  0.20447857  0.12361271
   1.00467689  0.40019001  0.30632703
   0.34159406  0.12094263  0.63872909
   0.22494812  0.69568819  0.74856403
  -0.00354071  1.12378561  0.14132500
   0.23688211  1.04823027  0.01795581
   0.64197306  0.35775067  0.85924519
   0.88277209  0.43617171  0.64500781
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.701900    0.116639    0.076428
    -0.000000    9.868572    0.190372
    -0.000000    0.000000   14.172150
   Si   O    H 
    32    64    10
Direct configuration=  1125
   0.16997819  0.17680347 -0.02510388
   0.38061143  0.08881850  0.37362140
   0.12714871  0.41476639  0.12870518
   0.36435051  0.35258196  0.26883340
   0.10808750  0.15796103  0.48128136
   0.42429120  0.15793160  0.85778107
   0.10956702  0.39352935  0.62688150
   0.35282556  0.40104218  0.75908239
   0.10424976  0.67887755  0.00929029
   0.41138433  0.59848869  0.36940345
   0.05379872  0.89867282  0.13958581
   0.32238978  0.85097685  0.24040512
   0.17828139  0.66649337  0.50785411
   0.34146807  0.65482201  0.88321213
   0.07427021  0.92148642  0.61931540
   0.32917499  0.99000825  0.70219877
   0.64369034  0.16819839  1.01389648
   0.85729987  0.14048024  0.36494099
   0.58079579  0.42324408  0.11771565
   0.84484120  0.31675088  0.18487941
   0.61370718  0.19533354  0.50927924
   0.88925908  0.11468801  0.86909307
   0.57226913  0.46761552  0.62327165
   0.75108217  0.36487643  0.79658465
   0.58878266  0.68729958 -0.00616054
   0.93160514  0.59434703  0.38236258
   0.57632717  0.91561652  0.14034576
   0.81454194  0.85505375  0.27550921
   0.65852911  0.65075844  0.46769844
   0.86645187  0.61703765  0.88285957
   0.59864499  0.91839671  0.63030347
   0.82823863  0.86667570  0.75502776
   0.07196988  0.06261692  0.13371553
   0.34677618  0.19415508  0.28839620
   0.12360383  0.30174768  0.03984028
   0.34516340  0.45739449  0.34639427
   0.50000169  0.36307973  0.19894022
   0.27192253  0.42029519  0.18740049
   0.25220407  0.10232106  0.44917251
   0.01550289  0.15297660  0.37966356
   0.03913802  0.06309661  0.56342104
   0.45746029  0.26729210  0.77131231
   0.12847985  0.30261331  0.53297529
   0.34289315  0.48667430  0.85280204
   0.42825220  0.49836661  0.67540198
   0.20489164  0.36056911  0.71549881
   0.30281367  0.22832921 -0.08309575
   0.04515643  0.15260693  0.89414080
   0.07991330  0.57587128  0.10490197
   0.38942238  0.71041383  0.28506389
   0.05398693  0.82863225  0.03557982
   0.36132757  0.94042070  0.33067146
   0.40548394  0.90646597  0.15044640
   0.17330361  0.81996947  0.19998020
   0.33961463  0.65392432  0.46587560
   0.08289112  0.66878346  0.41602282
   0.14044667  0.55264473  0.58928221
   0.29598216  0.74108060  0.78736846
   0.16959984  0.81894274  0.55182992
   0.36226417  1.02390256  0.80961817
   0.43417694  0.88382521  0.64761448
   0.17359436  0.92765350  0.70898096
   0.26904051  0.67592537 -0.01499045
   0.02125254  0.63651842  0.91560237
   0.63437745  0.07480959  0.10729511
   0.78350359  0.21773362  0.27933429
   0.59331664  0.32311337  0.02671747
   0.96411461  0.43446753  0.36790613
   0.00010042  0.36707177  0.19482337
   0.73969908  0.44356143  0.16802147
   0.77585872  0.16632946  0.46933539
   0.50834007  0.13964651  0.43054409
   0.61056327  0.08338156  0.59612155
   0.82455411  0.20753696  0.78443267
   0.57672450  0.35068116  0.53276443
   0.86079369  0.46252267  0.85032590
   0.95589757  0.38806166  0.66600536
   0.68788142  0.43262321  0.70473955
   0.80307854  0.16115873  0.96881669
   0.54156334  0.11758629  0.92538243
   0.53530326  0.56960569  0.07055924
   0.84420296  0.69020547  0.30337564
   0.61906932  0.82556788  0.05195988
   0.84644819  0.96576654  0.35327217
   0.90350491  0.87284698  0.17652298
   0.65087127  0.88395237  0.23798004
   0.81791993  0.59981450  0.47093157
   0.57462277  0.56792443  0.38767401
   0.59365247  0.61048031  0.57344500
   0.82959970  0.70859070  0.78878158
   0.63911614  0.80296026  0.44463593
   0.89444569  0.95835675  0.84135507
   0.92532501  0.86610598  0.66194228
   0.68373412  0.92740470  0.73848930
   0.75392023  0.64603698  0.96658056
   0.49796873  0.70777618  0.90158061
   0.65036651  0.80064125  0.58585811
   0.69986174  0.87451361  0.44140959
   0.85575634  0.20667839  0.12487424
   1.01199908  0.40783627  0.30787362
   0.34410608  0.11896289  0.64196716
   0.23023385  0.70326496  0.74734302
  -0.00882887  1.12397085  0.14371315
   0.23426698  1.05267505  0.01967820
   0.64599602  0.36473739  0.85950822
   0.87213769  0.44177133  0.64416395
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.702181    0.115405    0.074169
    -0.000000    9.868143    0.188576
    -0.000000    0.000000   14.171654
   Si   O    H 
    32    64    10
Direct configuration=  1126
   0.17035096  0.17734022 -0.02571284
   0.38001308  0.08797855  0.37379826
   0.12590463  0.41504550  0.12872498
   0.36413834  0.35107176  0.26836794
   0.10877336  0.15919190  0.48139991
   0.42295092  0.15607131  0.85866307
   0.10850795  0.39379431  0.62615645
   0.35352066  0.40176745  0.75968387
   0.10308603  0.67798981  0.00999161
   0.41220991  0.59738822  0.36925553
   0.05456522  0.89889883  0.13901677
   0.32222055  0.84942218  0.24077167
   0.17967294  0.66609008  0.50894766
   0.34154516  0.65429772  0.88255990
   0.07410474  0.92098068  0.61948535
   0.32878557  0.99029472  0.70215649
   0.64517936  0.16696087  1.01373234
   0.85636282  0.13975241  0.36584711
   0.58187200  0.42372779  0.11912642
   0.84444667  0.31626875  0.18462725
   0.61480651  0.19475210  0.50862737
   0.88837525  0.11411490  0.86887922
   0.57300727  0.46772785  0.62386251
   0.75071160  0.36465066  0.79549848
   0.58814366  0.68774161 -0.00577212
   0.93129029  0.59387065  0.38209606
   0.57522644  0.91677365  0.14069958
   0.81465912  0.85486988  0.27541169
   0.65772276  0.65069874  0.46827031
   0.86750280  0.61720032  0.88285537
   0.59814288  0.91885940  0.63000223
   0.82697722  0.86626229  0.75544472
   0.07194620  0.06086218  0.13570739
   0.34491676  0.19358573  0.28810151
   0.12382186  0.30185280  0.03908230
   0.34590849  0.45554413  0.34682963
   0.49910491  0.36448988  0.20070313
   0.27016187  0.42119467  0.18679616
   0.25224806  0.10111914  0.44980089
   0.01428619  0.15385273  0.38123708
   0.04132738  0.06351063  0.56263621
   0.45786999  0.26803187  0.77188317
   0.12860936  0.29965174  0.53493631
   0.34377012  0.48649969  0.85285663
   0.42785482  0.49818767  0.67578572
   0.20296237  0.36060998  0.71675109
   0.30525770  0.22851799 -0.08403270
   0.04525917  0.15405871  0.89326250
   0.08064325  0.57556566  0.10443912
   0.38823071  0.70922864  0.28630664
   0.05200917  0.82953044  0.03535100
   0.36061974  0.94081943  0.33161759
   0.40811826  0.90416739  0.14951814
   0.17205890  0.81847495  0.19946107
   0.33798548  0.65571236  0.46657093
   0.08105598  0.66817812  0.41572708
   0.13872792  0.55300113  0.58905056
   0.29477369  0.74258429  0.78687927
   0.16954319  0.81934356  0.55218566
   0.35941725  1.02348118  0.80868331
   0.43326899  0.88220004  0.64768609
   0.17378137  0.92870527  0.71026246
   0.26868011  0.67689012 -0.01465305
   0.02019671  0.63608258  0.91630806
   0.63476388  0.07532075  0.10913661
   0.78283154  0.21878683  0.27969857
   0.59316350  0.32304120  0.02639205
   0.96479544  0.43520199  0.36868140
  -0.00164939  0.36631468  0.19432695
   0.73907477  0.44303779  0.16888873
   0.77661306  0.16647241  0.46897275
   0.50890681  0.13808704  0.43184900
   0.61164629  0.08483294  0.59571155
   0.82531394  0.21024714  0.78509993
   0.57661060  0.35166650  0.53446554
   0.86264588  0.46134993  0.85053644
   0.95660986  0.38894100  0.66634427
   0.68978031  0.43281152  0.70466692
   0.80524603  0.16064727  0.96856713
   0.54298744  0.11841814  0.92455612
   0.53545917  0.57077436  0.06997473
   0.84368570  0.69068253  0.30306781
   0.61831386  0.82692066  0.05148681
   0.84693227  0.96578261  0.35362449
   0.90428322  0.87061627  0.17649159
   0.65093234  0.88451531  0.23588725
   0.81897804  0.59888222  0.47125960
   0.57403352  0.56826119  0.38749032
   0.59492053  0.60915723  0.57511812
   0.82995575  0.70829928  0.78953092
   0.63928827  0.80544576  0.44410127
   0.89377193  0.95838647  0.84050921
   0.92507340  0.86389650  0.66105290
   0.68256509  0.92616716  0.73779207
   0.75330685  0.64415460  0.96739249
   0.49760538  0.70865350  0.90309611
   0.65940127  0.80614217  0.58727343
   0.70077407  0.87630837  0.43803554
   0.85390178  0.20086113  0.12387991
   1.01539573  0.41266879  0.31174429
   0.34295489  0.11748873  0.64403419
   0.23027642  0.70907722  0.74385874
  -0.01220318  1.12394005  0.14563719
   0.23041980  1.05858638  0.02067938
   0.64188778  0.37182148  0.86627883
   0.86615017  0.44349081  0.64558264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.702626    0.114297    0.072157
    -0.000000    9.867660    0.186997
    -0.000000    0.000000   14.170855
   Si   O    H 
    32    64    10
Direct configuration=  1127
   0.17146268  0.17789879 -0.02646148
   0.37936492  0.08648052  0.37373875
   0.12490513  0.41530361  0.12855765
   0.36382501  0.34971194  0.26745162
   0.10909795  0.16037780  0.48132641
   0.42150959  0.15449559  0.85902974
   0.10838493  0.39469045  0.62533488
   0.35444673  0.40211730  0.75954467
   0.10213110  0.67676349  0.01023036
   0.41336904  0.59598066  0.36915363
   0.05469839  0.89856644  0.13865510
   0.32210585  0.84810293  0.24115798
   0.18079831  0.66665786  0.50978551
   0.34155585  0.65371428  0.88139701
   0.07389680  0.91990416  0.61959458
   0.32848004  0.99061938  0.70168977
   0.64706257  0.16572814  1.01300205
   0.85515605  0.13897536  0.36702828
   0.58297197  0.42372587  0.11997193
   0.84376524  0.31514075  0.18484244
   0.61539835  0.19426162  0.50813662
   0.88729204  0.11378550  0.86876659
   0.57384233  0.46781903  0.62418254
   0.75129946  0.36451028  0.79466303
   0.58795658  0.68795529 -0.00534144
   0.93103259  0.59362421  0.38208519
   0.57399302  0.91788408  0.14055678
   0.81419300  0.85401747  0.27483430
   0.65696203  0.65009904  0.46857260
   0.86776151  0.61711162  0.88292706
   0.59702715  0.92000515  0.63018518
   0.82644663  0.86610412  0.75603731
   0.07132850  0.05990791  0.13770540
   0.34322446  0.19224858  0.28737213
   0.12351181  0.30248279  0.03846904
   0.34637142  0.45414413  0.34754888
   0.49828184  0.36583622  0.20262818
   0.26816196  0.42219626  0.18602595
   0.25329097  0.10054963  0.44971592
   0.01383310  0.15461161  0.38264304
   0.04435535  0.06343353  0.56288884
   0.45893334  0.26896214  0.77224394
   0.12833893  0.29678510  0.53690150
   0.34366423  0.48676102  0.85294299
   0.42759609  0.49725960  0.67638720
   0.20138217  0.36084096  0.71745815
   0.30729995  0.22989131 -0.08468444
   0.04520983  0.15577633  0.89240889
   0.08074773  0.57518106  0.10396602
   0.38638525  0.70702985  0.28699915
   0.04980876  0.83013184  0.03496258
   0.35980816  0.94025285  0.33207983
   0.41083872  0.90211008  0.14957079
   0.17225073  0.81733948  0.19926008
   0.33628025  0.65759066  0.46689983
   0.07831827  0.66766919  0.41495455
   0.13850933  0.55291134  0.58924313
   0.29531367  0.74318217  0.78620416
   0.16875539  0.82016011  0.55233465
   0.35658640  1.02323102  0.80814255
   0.43259027  0.88094701  0.64793068
   0.17392604  0.93047859  0.71085774
   0.26865266  0.67668329 -0.01472083
   0.01993798  0.63540710  0.91723744
   0.63502671  0.07556626  0.11087715
   0.78262229  0.22041295  0.27956676
   0.59322357  0.32274116  0.02614456
   0.96476913  0.43602554  0.36948441
  -0.00312025  0.36532163  0.19437983
   0.73877609  0.44176072  0.16919170
   0.77613612  0.16809663  0.46817982
   0.50983496  0.13692879  0.43253920
   0.61249363  0.08555890  0.59583815
   0.82630338  0.21417317  0.78604214
   0.57648134  0.35205075  0.53623152
   0.86412161  0.46029448  0.85081484
   0.95647370  0.39035395  0.66624545
   0.69101474  0.43250730  0.70415402
   0.80743227  0.15934247  0.96879189
   0.54484392  0.11888905  0.92377210
   0.53556453  0.57233793  0.06963824
   0.84337896  0.69092300  0.30258089
   0.61805977  0.82836743  0.05076657
   0.84706046  0.96563865  0.35402743
   0.90453373  0.86836188  0.17645598
   0.65138683  0.88428595  0.23465853
   0.82022748  0.59818960  0.47127479
   0.57336979  0.56901689  0.38759022
   0.59655107  0.60828712  0.57619001
   0.82966967  0.70848581  0.78991831
   0.63909118  0.80798413  0.44349720
   0.89280754  0.95780264  0.83959650
   0.92619634  0.86119578  0.65986629
   0.68068331  0.92557126  0.73698544
   0.75208902  0.64201856  0.96804126
   0.49693632  0.70989203  0.90424574
   0.66930790  0.81260823  0.59033614
   0.70887286  0.88786582  0.43558125
   0.85168489  0.19559814  0.12098854
   1.02091335  0.41227159  0.31289568
   0.34362780  0.11581306  0.64538593
   0.22764899  0.71371676  0.73847374
  -0.01132355  1.11630407  0.14702610
   0.22572660  1.06352617  0.02218820
   0.63589058  0.37821434  0.87286487
   0.87559626  0.44079146  0.64817173
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.703251    0.113892    0.069943
    -0.000000    9.867346    0.184974
    -0.000000    0.000000   14.169692
   Si   O    H 
    32    64    10
Direct configuration=  1128
   0.17264168  0.17903656 -0.02719635
   0.37814661  0.08564316  0.37383466
   0.12340504  0.41479142  0.12857186
   0.36310624  0.34853795  0.26568138
   0.10965082  0.16144920  0.48122094
   0.41991877  0.15276386  0.85923254
   0.10793353  0.39558599  0.62432517
   0.35527657  0.40269818  0.75931027
   0.10126199  0.67488515  0.01055141
   0.41374909  0.59473645  0.36908430
   0.05458494  0.89853350  0.13806609
   0.32208749  0.84719488  0.24153175
   0.18177609  0.66706693  0.51084119
   0.34151315  0.65283245  0.88023534
   0.07367633  0.91839225  0.61952738
   0.32860944  0.99057846  0.70140587
   0.64892015  0.16479378  1.01255171
   0.85408500  0.13884591  0.36820445
   0.58408611  0.42340985  0.12061958
   0.84276703  0.31366791  0.18521286
   0.61643638  0.19371599  0.50766866
   0.88612600  0.11380915  0.86858954
   0.57508386  0.46705268  0.62480156
   0.75195436  0.36452403  0.79449637
   0.58795144  0.68801562 -0.00496933
   0.93076588  0.59361405  0.38230466
   0.57345835  0.91890535  0.14034611
   0.81442781  0.85326774  0.27424805
   0.65602780  0.64872027  0.46897551
   0.86724670  0.61767646  0.88329081
   0.59601064  0.92143952  0.63071550
   0.82669332  0.86569002  0.75622621
   0.07039890  0.05868474  0.13883008
   0.34102952  0.19075396  0.28717576
   0.12402785  0.30398840  0.03849867
   0.34652606  0.45298339  0.34817384
   0.49674707  0.36708121  0.20475277
   0.26592584  0.42334353  0.18546723
   0.25506777  0.09971367  0.44909612
   0.01487789  0.15514573  0.38447866
   0.04709495  0.06399278  0.56281613
   0.45999364  0.26934007  0.77344668
   0.12803297  0.29445321  0.53844778
   0.34325962  0.48728205  0.85342380
   0.42659021  0.49657065  0.67664190
   0.20053235  0.36087878  0.71798361
   0.30813943  0.23144704 -0.08504365
   0.04597355  0.15703126  0.89191363
   0.08165455  0.57479902  0.10271355
   0.38553892  0.70450782  0.28726975
   0.04801716  0.83070640  0.03535704
   0.35882455  0.93988361  0.33258276
   0.41258714  0.90034136  0.15001919
   0.17189879  0.81663426  0.19905616
   0.33555392  0.65904809  0.46681510
   0.07540967  0.66729856  0.41438112
   0.13747936  0.55214826  0.58957043
   0.29526462  0.74307733  0.78566543
   0.16812539  0.82025220  0.55290695
   0.35493353  1.02318107  0.80807591
   0.43199107  0.87943483  0.64836945
   0.17442553  0.93193001  0.71157998
   0.26814410  0.67647477 -0.01502572
   0.02018086  0.63489344  0.91856571
   0.63404477  0.07533359  0.11236526
   0.78255936  0.22191264  0.27953035
   0.59201412  0.32197899  0.02654016
   0.96489993  0.43615702  0.36981470
  -0.00334832  0.36502240  0.19435501
   0.73787966  0.44069360  0.16887060
   0.77604747  0.16977927  0.46769713
   0.51053749  0.13624021  0.43265553
   0.61245595  0.08636933  0.59567765
   0.82721932  0.21697890  0.78673891
   0.57580743  0.35171601  0.53841211
   0.86559221  0.45898558  0.85045765
   0.95553367  0.39138511  0.66638931
   0.69196939  0.43292275  0.70317305
   0.80898005  0.15805964  0.96910420
   0.54729868  0.11873430  0.92291458
   0.53608274  0.57369542  0.06929337
   0.84373338  0.69064911  0.30236997
   0.61770843  0.83057354  0.04954459
   0.84687410  0.96636985  0.35444483
   0.90424881  0.86584323  0.17674523
   0.65169051  0.88384010  0.23386882
   0.82106430  0.59721057  0.47166438
   0.57279819  0.56932381  0.38812429
   0.59810172  0.60807462  0.57690573
   0.82955796  0.70843927  0.78997479
   0.63911436  0.80996410  0.44240741
   0.89040855  0.95724947  0.83853887
   0.92634963  0.85952517  0.65896362
   0.67838162  0.92521402  0.73568089
   0.75041697  0.64010623  0.96819002
   0.49616440  0.71099088  0.90508240
   0.67935733  0.81598449  0.59037988
   0.70905142  0.88524330  0.43557103
   0.84954668  0.19301533  0.11685946
   1.02569960  0.41547695  0.31538773
   0.34180073  0.12008970  0.64421918
   0.22708019  0.71704011  0.73364025
  -0.00806689  1.10895132  0.14736643
   0.22155304  1.06510096  0.02447639
   0.63223786  0.38243215  0.87660680
   0.88308637  0.43974432  0.65053779
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.703877    0.113770    0.067992
    -0.000000    9.867158    0.182847
    -0.000000    0.000000   14.168059
   Si   O    H 
    32    64    10
Direct configuration=  1129
   0.17346741  0.17971505 -0.02816731
   0.37739931  0.08543466  0.37464592
   0.12171448  0.41397973  0.12844823
   0.36217727  0.34857309  0.26418149
   0.10911297  0.16236054  0.48109481
   0.41831882  0.15087006  0.85934924
   0.10687656  0.39687236  0.62359299
   0.35614616  0.40333944  0.75917443
   0.10026375  0.67343930  0.01125628
   0.41366601  0.59404131  0.36934483
   0.05448298  0.89812956  0.13714628
   0.32207653  0.84594654  0.24220693
   0.18234490  0.66751360  0.51179094
   0.34196930  0.65152382  0.87956186
   0.07320546  0.91688360  0.61947834
   0.32924923  0.98987459  0.70109260
   0.65096300  0.16389738  1.01229505
   0.85250893  0.13772721  0.36904787
   0.58603190  0.42334125  0.12102453
   0.84152011  0.31171635  0.18572534
   0.61751145  0.19308218  0.50699636
   0.88576685  0.11423492  0.86904267
   0.57585836  0.46584524  0.62551196
   0.75278742  0.36567634  0.79509777
   0.58855986  0.68783547 -0.00408195
   0.93049358  0.59414715  0.38266812
   0.57308202  0.92014896  0.14023838
   0.81414798  0.85340075  0.27361719
   0.65545479  0.64728721  0.46916659
   0.86650235  0.61833071  0.88382555
   0.59491170  0.92311530  0.63155653
   0.82718971  0.86526209  0.75649640
   0.07040369  0.05684829  0.13973458
   0.33877608  0.18896418  0.28668829
   0.12469000  0.30584967  0.03926279
   0.34712028  0.45136690  0.34834473
   0.49568347  0.36813781  0.20726907
   0.26289983  0.42353110  0.18506971
   0.25557695  0.09910224  0.44821101
   0.01657148  0.15546911  0.38601958
   0.04877515  0.06487462  0.56313474
   0.46095328  0.26868921  0.77535030
   0.12760503  0.29314182  0.54029502
   0.34247137  0.48865145  0.85441745
   0.42583577  0.49495876  0.67724397
   0.20025343  0.36048107  0.71813475
   0.30905355  0.23268926 -0.08550012
   0.04720466  0.15887141  0.89176234
   0.08244938  0.57384400  0.10137668
   0.38509870  0.70211813  0.28711572
   0.04694006  0.83099006  0.03605451
   0.35892928  0.93869526  0.33300697
   0.41308336  0.89911641  0.15003375
   0.17209973  0.81566611  0.19949086
   0.33544824  0.66007047  0.46635961
   0.07270432  0.66708747  0.41359617
   0.13718743  0.55215955  0.58992144
   0.29539639  0.74297316  0.78512059
   0.16739238  0.82053126  0.55363167
   0.35506429  1.02296003  0.80821293
   0.43151882  0.87876038  0.64910731
   0.17410233  0.93304953  0.71225667
   0.26744170  0.67677173 -0.01585259
   0.02009982  0.63438179  0.91992769
   0.63338321  0.07488053  0.11368780
   0.78243969  0.22363668  0.27927615
   0.59120319  0.32149185  0.02725918
   0.96555312  0.43583642  0.37009143
  -0.00345718  0.36488302  0.19440731
   0.73729690  0.43917348  0.16805046
   0.77576947  0.17123847  0.46684801
   0.51048435  0.13444264  0.43242296
   0.61171371  0.08732895  0.59548561
   0.82768568  0.21894511  0.78758230
   0.57523837  0.35119556  0.54093951
   0.86684536  0.45771098  0.85016400
   0.95475065  0.39195711  0.66641774
   0.69284420  0.43380732  0.70172381
   0.81031190  0.15644589  0.96936374
   0.55012556  0.11820659  0.92176997
   0.53620783  0.57440043  0.06894345
   0.84475707  0.69141515  0.30231258
   0.61808790  0.83244255  0.04843603
   0.84651095  0.96686422  0.35494396
   0.90442042  0.86320783  0.17741203
   0.65190352  0.88366379  0.23317602
   0.82153128  0.59666295  0.47225271
   0.57269743  0.56945114  0.38828547
   0.60025580  0.60941012  0.57703618
   0.82999435  0.70790287  0.78935083
   0.63919923  0.81149631  0.44142353
   0.88767823  0.95673315  0.83757969
   0.92593575  0.85846989  0.65795879
   0.67659973  0.92481309  0.73379680
   0.74915492  0.63849648  0.96832270
   0.49532099  0.71223608  0.90540948
   0.68790600  0.81567674  0.58917647
   0.70773600  0.87401656  0.43628139
   0.84765589  0.19392949  0.11598420
   1.03076639  0.41757808  0.31733177
   0.33790652  0.12261899  0.64471238
   0.23289421  0.71811343  0.73665921
  -0.01732080  1.11156527  0.14792062
   0.22093661  1.05909606  0.02747246
   0.63313825  0.38246016  0.87845175
   0.87232804  0.44985948  0.64721649
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.704549    0.113428    0.066082
    -0.000000    9.866609    0.181204
    -0.000000    0.000000   14.166487
   Si   O    H 
    32    64    10
Direct configuration=  1130
   0.17354858  0.18022656 -0.02945658
   0.37616619  0.08541483  0.37529827
   0.12029238  0.41322535  0.12822049
   0.36066461  0.34861550  0.26263379
   0.10898560  0.16256074  0.48094853
   0.41753795  0.15004671  0.85907788
   0.10635661  0.39794037  0.62345691
   0.35645796  0.40391351  0.75887583
   0.09918119  0.67195876  0.01172382
   0.41327627  0.59406361  0.36913877
   0.05466646  0.89818886  0.13642932
   0.32280647  0.84527486  0.24342240
   0.18264109  0.66751197  0.51276634
   0.34214565  0.65045054  0.87880326
   0.07288206  0.91548862  0.61927558
   0.32974790  0.98953656  0.70080560
   0.65238670  0.16281405  1.01218162
   0.85144338  0.13648328  0.37000278
   0.58796915  0.42329593  0.12139503
   0.84041052  0.31015404  0.18609153
   0.61826903  0.19234562  0.50662820
   0.88630876  0.11458394  0.86917612
   0.57606341  0.46494418  0.62604355
   0.75276804  0.36688915  0.79573563
   0.58930746  0.68757988 -0.00342959
   0.92973691  0.59484678  0.38296621
   0.57285548  0.92132759  0.13997850
   0.81435150  0.85343722  0.27302161
   0.65511456  0.64642417  0.46956621
   0.86592163  0.61888865  0.88426117
   0.59391043  0.92420492  0.63226246
   0.82770277  0.86514284  0.75648735
   0.07020192  0.05590103  0.14077842
   0.33734239  0.18716327  0.28610615
   0.12589797  0.30751566  0.04065637
   0.34803046  0.44931116  0.34895504
   0.49637062  0.36923455  0.20923937
   0.25966805  0.42306806  0.18416245
   0.25592543  0.09869082  0.44722201
   0.01867470  0.15537677  0.38792398
   0.05045347  0.06541793  0.56353193
   0.46208664  0.26844749  0.77644571
   0.12787917  0.29270596  0.54200221
   0.34169083  0.48960447  0.85524935
   0.42681654  0.49350158  0.67792838
   0.20027078  0.36022279  0.71850970
   0.30998339  0.23430661 -0.08559010
   0.04782394  0.16110666  0.89192184
   0.08333918  0.57340511  0.09991628
   0.38453049  0.70090349  0.28662955
   0.04599073  0.83106300  0.03551946
   0.35898247  0.93781339  0.33364613
   0.41307906  0.89828170  0.15025683
   0.17140197  0.81429731  0.19985060
   0.33570107  0.66009465  0.46560523
   0.07102011  0.66781193  0.41291681
   0.13650014  0.55262522  0.59082712
   0.29546092  0.74371095  0.78495733
   0.16605462  0.82053637  0.55453367
   0.35583079  1.02226147  0.80846935
   0.43069785  0.87808274  0.64961172
   0.17339750  0.93504752  0.71290764
   0.26737386  0.67750286 -0.01696820
   0.02048409  0.63357059  0.92104414
   0.63223046  0.07414472  0.11443763
   0.78248754  0.22521687  0.27879851
   0.59067711  0.32087684  0.02827021
   0.96544323  0.43546662  0.36999377
  -0.00300570  0.36411864  0.19435917
   0.73696327  0.43820374  0.16693626
   0.77597024  0.17252320  0.46644117
   0.51115583  0.13213413  0.43182764
   0.61149017  0.08799328  0.59525076
   0.82882403  0.22109598  0.78811491
   0.57383648  0.35039844  0.54295275
   0.86747631  0.45707729  0.84951895
   0.95272781  0.39275742  0.66612887
   0.69236128  0.43405976  0.69981602
   0.81133671  0.15491334  0.96952133
   0.55331481  0.11735738  0.92063220
   0.53669382  0.57503344  0.06956963
   0.84583334  0.69263075  0.30223655
   0.61914899  0.83366122  0.04739605
   0.84571193  0.96772423  0.35475953
   0.90449546  0.86111261  0.17773777
   0.65202782  0.88381593  0.23306376
   0.82144337  0.59485800  0.47283143
   0.57311744  0.56935993  0.38871137
   0.60300485  0.61082448  0.57728513
   0.83068469  0.70743517  0.78940454
   0.63839278  0.81236891  0.44074884
   0.88517273  0.95648989  0.83649220
   0.92539165  0.85782668  0.65668595
   0.67443931  0.92499264  0.73135557
   0.74774730  0.63684901  0.96812711
   0.49435351  0.71249160  0.90553629
   0.69145996  0.82072870  0.58919229
   0.71816704  0.87162002  0.43894009
   0.84522728  0.19957112  0.11627812
   1.03111947  0.41849087  0.32183199
   0.33439400  0.12562425  0.64589259
   0.23506003  0.72091344  0.73744472
  -0.02092769  1.11287124  0.14744301
   0.22007618  1.05620652  0.02786253
   0.63475945  0.38107081  0.87534755
   0.87011510  0.45692040  0.64586500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.705211    0.113814    0.064504
    -0.000000    9.866007    0.179546
    -0.000000    0.000000   14.165083
   Si   O    H 
    32    64    10
Direct configuration=  1131
   0.17337452  0.18111141 -0.03058998
   0.37495889  0.08609699  0.37596317
   0.11919808  0.41293211  0.12797453
   0.35873111  0.34844824  0.26143298
   0.10887106  0.16206240  0.48041584
   0.41650862  0.14980136  0.85879871
   0.10607854  0.39865491  0.62393634
   0.35597721  0.40394544  0.75799546
   0.09896037  0.67132514  0.01185758
   0.41269787  0.59449272  0.36857305
   0.05429484  0.89803566  0.13613808
   0.32396703  0.84463976  0.24488142
   0.18287683  0.66795956  0.51325467
   0.34265899  0.65000075  0.87759205
   0.07258661  0.91469136  0.61920910
   0.33052942  0.98909984  0.70063712
   0.65347186  0.16153320  1.01232730
   0.85101389  0.13484698  0.37065138
   0.58948208  0.42282999  0.12134050
   0.83932642  0.30885956  0.18649444
   0.61857847  0.19234972  0.50679626
   0.88724184  0.11503548  0.86936935
   0.57561595  0.46389445  0.62620431
   0.75251596  0.36821020  0.79639980
   0.59051883  0.68650242 -0.00295588
   0.92845053  0.59519642  0.38322935
   0.57243723  0.92195376  0.13961814
   0.81468168  0.85329396  0.27222310
   0.65488394  0.64617392  0.47020260
   0.86502764  0.61886556  0.88416953
   0.59286509  0.92492875  0.63288149
   0.82815576  0.86506699  0.75653200
   0.06997215  0.05579746  0.14189897
   0.33660936  0.18632345  0.28555862
   0.12730693  0.30877168  0.04131388
   0.34871871  0.44798073  0.34942011
   0.49729446  0.37013155  0.21118043
   0.25764414  0.42279673  0.18376308
   0.25590168  0.09899720  0.44642049
   0.01981494  0.15553393  0.38947644
   0.05183071  0.06472532  0.56430468
   0.46260959  0.26838261  0.77733521
   0.12759827  0.29224932  0.54320527
   0.34133695  0.49098258  0.85544689
   0.42852883  0.49244144  0.67835958
   0.20056732  0.36028229  0.71873444
   0.31070636  0.23688191 -0.08504988
   0.04829239  0.16312177  0.89213091
   0.08555007  0.57239712  0.09875384
   0.38447423  0.70003728  0.28658401
   0.04487851  0.83042482  0.03531655
   0.35931756  0.93750825  0.33389002
   0.41262230  0.89694777  0.15131304
   0.17148970  0.81189662  0.20073880
   0.33694427  0.66025861  0.46538674
   0.06998301  0.66837994  0.41258148
   0.13600637  0.55318511  0.59194630
   0.29629078  0.74437314  0.78527610
   0.16513924  0.82005131  0.55529676
   0.35677821  1.02134404  0.80900181
   0.42981495  0.87838315  0.64956392
   0.17212746  0.93691418  0.71317254
   0.26674719  0.67778675 -0.01813159
   0.02020726  0.63317919  0.92135206
   0.63080535  0.07370688  0.11519056
   0.78298728  0.22724555  0.27847454
   0.59060756  0.32045172  0.02952636
   0.96537586  0.43557080  0.37019484
  -0.00270358  0.36365730  0.19438783
   0.73744385  0.43739946  0.16623610
   0.77539188  0.17358689  0.46656010
   0.51167882  0.13020988  0.43152261
   0.61091295  0.08851840  0.59509933
   0.82937088  0.22274392  0.78839340
   0.57270828  0.34954418  0.54452007
   0.86711746  0.45710428  0.84866688
   0.95038281  0.39306912  0.66585018
   0.69222244  0.43444350  0.69818571
   0.81228987  0.15381206  0.96946013
   0.55707112  0.11634346  0.92022110
   0.53805118  0.57509589  0.07066149
   0.84688815  0.69412762  0.30240343
   0.61888132  0.83498835  0.04704201
   0.84355627  0.96778648  0.35463194
   0.90456025  0.85907843  0.17783818
   0.65231383  0.88395939  0.23306741
   0.82090887  0.59239747  0.47278047
   0.57366063  0.56933726  0.38898272
   0.60586578  0.61221909  0.57736984
   0.83032445  0.70697002  0.78996772
   0.63775431  0.81306035  0.44027687
   0.88249254  0.95718379  0.83576817
   0.92503965  0.85710017  0.65571281
   0.67271061  0.92455407  0.72954559
   0.74672854  0.63567127  0.96785646
   0.49429496  0.71189206  0.90537082
   0.69200068  0.82777681  0.58815921
   0.72769339  0.87028112  0.44177983
   0.84231170  0.20692599  0.11554192
   1.03646654  0.41637034  0.32125395
   0.33039015  0.12859481  0.64687705
   0.22990897  0.71762520  0.73955972
  -0.01572780  1.10855058  0.14514294
   0.21952874  1.05763953  0.02580887
   0.64227910  0.38074036  0.86871554
   0.87811499  0.45789563  0.64641991
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.705982    0.114312    0.063205
    -0.000000    9.865226    0.177494
    -0.000000    0.000000   14.163940
   Si   O    H 
    32    64    10
Direct configuration=  1132
   0.17334715  0.18199427 -0.03113038
   0.37441867  0.08636239  0.37643997
   0.11805488  0.41237521  0.12806317
   0.35704289  0.34867835  0.26055465
   0.10847519  0.16162905  0.47992689
   0.41620842  0.15011005  0.85828625
   0.10572699  0.39954444  0.62455489
   0.35495317  0.40362003  0.75756206
   0.09914427  0.67164919  0.01190472
   0.41242425  0.59467451  0.36851258
   0.05484946  0.89766596  0.13646305
   0.32528395  0.84366712  0.24632411
   0.18355857  0.66823277  0.51349724
   0.34290322  0.64999631  0.87636563
   0.07218791  0.91430186  0.61942504
   0.33137153  0.98890645  0.70041398
   0.65448248  0.16060021  1.01266885
   0.85086770  0.13349268  0.37061580
   0.59024742  0.42286073  0.12083094
   0.83866315  0.30752943  0.18709057
   0.61825236  0.19229036  0.50677480
   0.88860680  0.11570535  0.86987880
   0.57450962  0.46297118  0.62567507
   0.75210130  0.36981827  0.79714661
   0.59108509  0.68556388 -0.00233471
   0.92696433  0.59596500  0.38353890
   0.57202405  0.92220168  0.13904213
   0.81477804  0.85362254  0.27181033
   0.65460602  0.64613095  0.47053196
   0.86406466  0.61834665  0.88420872
   0.59195244  0.92597504  0.63334805
   0.82844111  0.86498178  0.75626118
   0.06995823  0.05638466  0.14308391
   0.33604783  0.18577879  0.28471443
   0.12870752  0.30904196  0.04125380
   0.34976037  0.44670208  0.34931426
   0.49932338  0.37101607  0.21277291
   0.25592932  0.42162425  0.18392657
   0.25554631  0.09911496  0.44671253
   0.02013580  0.15593579  0.39044518
   0.05299495  0.06346509  0.56515095
   0.46337031  0.26772226  0.77866544
   0.12760661  0.29125079  0.54376341
   0.34079834  0.49241421  0.85579713
   0.43110297  0.49073191  0.67837739
   0.20150805  0.36047188  0.71906981
   0.31164831  0.23885678 -0.08412472
   0.04785966  0.16536660  0.89179014
   0.08670124  0.57113823  0.09785121
   0.38466851  0.69949901  0.28559127
   0.04436012  0.82988257  0.03470003
   0.35928323  0.93712974  0.33435329
   0.41186819  0.89534681  0.15260034
   0.17153470  0.80950347  0.20198439
   0.33799652  0.65971897  0.46493792
   0.06962864  0.66870923  0.41300560
   0.13631890  0.55446596  0.59235812
   0.29775412  0.74438450  0.78606162
   0.16431218  0.81876106  0.55582650
   0.35792275  1.01960274  0.80994654
   0.43015651  0.87966820  0.64979597
   0.17093648  0.93891099  0.71337787
   0.26598028  0.67813594 -0.01930860
   0.02032878  0.63181190  0.92105742
   0.62843374  0.07361297  0.11573849
   0.78349973  0.22854446  0.27868434
   0.58941045  0.31971377  0.03140771
   0.96635998  0.43494008  0.37076618
  -0.00209845  0.36335397  0.19459650
   0.73871544  0.43671713  0.16577632
   0.77478872  0.17464125  0.46665226
   0.51140254  0.12810135  0.43119162
   0.61016739  0.08946513  0.59582657
   0.83050023  0.22372075  0.78838787
   0.57135562  0.34812352  0.54564085
   0.86695528  0.45872384  0.84799859
   0.94909155  0.39336939  0.66543038
   0.69128016  0.43467505  0.69627346
   0.81207287  0.15272450  0.96911755
   0.56016236  0.11541056  0.91932556
   0.53900206  0.57485796  0.07160847
   0.84685898  0.69622990  0.30292771
   0.61888356  0.83585279  0.04680260
   0.84153330  0.96829665  0.35463493
   0.90481868  0.85798066  0.17756997
   0.65273347  0.88430913  0.23372594
   0.82030452  0.59041869  0.47281456
   0.57389534  0.56903232  0.38954024
   0.60767862  0.61396283  0.57751849
   0.83056651  0.70650833  0.79095072
   0.63759685  0.81382314  0.43972630
   0.87990900  0.95767016  0.83551679
   0.92515367  0.85665493  0.65456955
   0.67095490  0.92406129  0.72783911
   0.74672544  0.63457789  0.96776645
   0.49403780  0.71135141  0.90466171
   0.68958981  0.83755312  0.58472198
   0.72578453  0.86327722  0.44552454
   0.84376169  0.21391879  0.11224092
   1.03712189  0.41150982  0.32110737
   0.32344307  0.12852173  0.65052944
   0.22428483  0.71152994  0.74027861
  -0.00950966  1.10573905  0.14330667
   0.22024046  1.05942744  0.02237912
   0.64819168  0.38185557  0.86357256
   0.88954765  0.45554743  0.64542124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.706995    0.115094    0.061245
    -0.000000    9.864253    0.175372
    -0.000000    0.000000   14.162599
   Si   O    H 
    32    64    10
Direct configuration=  1133
   0.17393297  0.18269928 -0.03151778
   0.37426364  0.08640759  0.37691466
   0.11695409  0.41209905  0.12799807
   0.35500446  0.34887227  0.25989948
   0.10824184  0.16079930  0.47956980
   0.41674983  0.15007977  0.85799730
   0.10523305  0.40054161  0.62503884
   0.35361339  0.40312855  0.75735526
   0.09987894  0.67223563  0.01173540
   0.41140837  0.59486909  0.36823509
   0.05526103  0.89726819  0.13695215
   0.32631499  0.84270463  0.24743005
   0.18404925  0.66853947  0.51368104
   0.34283592  0.65025143  0.87496276
   0.07211402  0.91522801  0.61974936
   0.33184734  0.98920984  0.70057512
   0.65569102  0.15952080  1.01253928
   0.85084133  0.13240559  0.37002803
   0.59012721  0.42298801  0.11984240
   0.83785057  0.30656706  0.18799399
   0.61724164  0.19166588  0.50670023
   0.88984438  0.11696126  0.87029123
   0.57292293  0.46272331  0.62440912
   0.75194112  0.37147113  0.79764507
   0.59146720  0.68550677 -0.00148858
   0.92532678  0.59654622  0.38368610
   0.57141618  0.92181620  0.13823931
   0.81497773  0.85362330  0.27164819
   0.65470301  0.64570367  0.47076374
   0.86328749  0.61766233  0.88397853
   0.59144424  0.92650413  0.63347057
   0.82831031  0.86568469  0.75577176
   0.07073994  0.05699242  0.14410896
   0.33542694  0.18540874  0.28380722
   0.12992611  0.30865649  0.04080499
   0.35082010  0.44584451  0.34965990
   0.50277524  0.37262221  0.21411103
   0.25520384  0.41994305  0.18465255
   0.25473435  0.09917950  0.44722063
   0.01994954  0.15570169  0.39116132
   0.05291139  0.06204003  0.56609577
   0.46361235  0.26778366  0.78009075
   0.12716143  0.29145113  0.54450869
   0.33965493  0.49412127  0.85606857
   0.43470375  0.48897580  0.67866967
   0.20209004  0.36058328  0.71920989
   0.31166251  0.24036953 -0.08291723
   0.04728266  0.16710732  0.89101584
   0.08736813  0.57007891  0.09773377
   0.38561820  0.69812796  0.28478136
   0.04367825  0.82837647  0.03399649
   0.35990211  0.93675271  0.33477898
   0.40973684  0.89386821  0.15407064
   0.17109079  0.80785856  0.20316817
   0.33923188  0.65879094  0.46406721
   0.07042023  0.66838048  0.41404779
   0.13715981  0.55608663  0.59279744
   0.29957305  0.74476702  0.78658789
   0.16443283  0.81699868  0.55642779
   0.35940982  1.01698080  0.81077552
   0.43058179  0.88115406  0.64971055
   0.17052049  0.94112399  0.71317439
   0.26496956  0.67814411 -0.02085404
   0.02009400  0.63053102  0.92062614
   0.62622174  0.07391439  0.11641576
   0.78420986  0.22881669  0.27885966
   0.58907165  0.31898234  0.03348897
   0.96787291  0.43438100  0.37156860
  -0.00185390  0.36314130  0.19528443
   0.74022681  0.43625396  0.16496432
   0.77317738  0.17587058  0.46670783
   0.51186708  0.12572344  0.43085995
   0.60968120  0.08997910  0.59656497
   0.83151431  0.22488890  0.78868745
   0.57035933  0.34663220  0.54614330
   0.86712333  0.46088324  0.84727382
   0.94875170  0.39274532  0.66579730
   0.69184524  0.43500895  0.69506419
   0.81240099  0.15141403  0.96915162
   0.56355216  0.11385170  0.91824628
   0.53962965  0.57406860  0.07251408
   0.84664754  0.69702984  0.30337855
   0.61919521  0.83650399  0.04673173
   0.83981040  0.96893544  0.35463722
   0.90471665  0.85703833  0.17782638
   0.65370020  0.88421748  0.23459736
   0.81843870  0.58925467  0.47257247
   0.57441862  0.56820405  0.38929121
   0.60908313  0.61580017  0.57754535
   0.83071418  0.70596829  0.79175255
   0.63684467  0.81394060  0.43923241
   0.87800155  0.95789197  0.83573310
   0.92536914  0.85642905  0.65352815
   0.67043160  0.92364660  0.72639335
   0.74658610  0.63429540  0.96795423
   0.49429559  0.71036620  0.90386248
   0.68239304  0.84616540  0.57756761
   0.72098118  0.85801644  0.45048103
   0.84485893  0.21944666  0.10722121
   1.03190669  0.40508642  0.32322619
   0.31639443  0.12103926  0.65384691
   0.22953694  0.70977106  0.74622902
  -0.01741001  1.11040671  0.14579120
   0.21945809  1.05970489  0.01760828
   0.64651406  0.38146881  0.86363062
   0.88849545  0.46936515  0.63881592
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.708160    0.115603    0.059875
    -0.000000    9.863420    0.173237
    -0.000000    0.000000   14.161420
   Si   O    H 
    32    64    10
Direct configuration=  1134
   0.17395847  0.18342744 -0.03220870
   0.37384916  0.08633118  0.37713854
   0.11595440  0.41228755  0.12832723
   0.35342767  0.34861818  0.25963504
   0.10853306  0.15983821  0.47930237
   0.41769398  0.15023307  0.85776187
   0.10411701  0.40158076  0.62523673
   0.35202293  0.40230553  0.75732233
   0.10097776  0.67288920  0.01127765
   0.41003320  0.59461778  0.36779511
   0.05626551  0.89617497  0.13760999
   0.32694802  0.84192168  0.24814503
   0.18467955  0.66827310  0.51333825
   0.34270065  0.65075421  0.87399033
   0.07151802  0.91645937  0.61991626
   0.33198017  0.98949744  0.70116374
   0.65675087  0.15890937  1.01217244
   0.85054046  0.13180319  0.36976661
   0.58981996  0.42305363  0.11917792
   0.83716677  0.30597510  0.18885879
   0.61624590  0.19131440  0.50651722
   0.89118161  0.11838353  0.87067682
   0.57123841  0.46251063  0.62290835
   0.75215468  0.37310465  0.79755044
   0.59185674  0.68565188 -0.00064993
   0.92382123  0.59752818  0.38397469
   0.57126235  0.92105000  0.13741417
   0.81523561  0.85310262  0.27134277
   0.65574559  0.64589235  0.47127786
   0.86292780  0.61624205  0.88386402
   0.59081006  0.92750245  0.63296303
   0.82766852  0.86570295  0.75539800
   0.07136551  0.05834452  0.14540589
   0.33567627  0.18483970  0.28257550
   0.13027415  0.30835487  0.04002231
   0.35069576  0.44459762  0.34982066
   0.50604152  0.37439837  0.21458076
   0.25479262  0.41818632  0.18559731
   0.25399789  0.09900055  0.44825424
   0.01880189  0.15461167  0.39091976
   0.05277800  0.06083197  0.56688290
   0.46413216  0.26823469  0.78125760
   0.12658002  0.29231676  0.54513386
   0.33871608  0.49440322  0.85612668
   0.43759273  0.48768136  0.67903937
   0.20298933  0.36104499  0.71964998
   0.31009451  0.24168369 -0.08216312
   0.04617187  0.16810414  0.89077634
   0.08728867  0.56885610  0.09782892
   0.38719986  0.69663928  0.28417026
   0.04360411  0.82689751  0.03385637
   0.36060297  0.93702804  0.33494536
   0.40707673  0.89247187  0.15497231
   0.17067617  0.80710755  0.20456533
   0.33908841  0.65820316  0.46298087
   0.07055259  0.66906178  0.41443831
   0.13878544  0.55693904  0.59267679
   0.30181411  0.74515955  0.78715800
   0.16440418  0.81464647  0.55726762
   0.36098989  1.01439914  0.81236269
   0.43240409  0.88268343  0.64948849
   0.16943302  0.94285661  0.71312188
   0.26372643  0.67821414 -0.02239861
   0.01932351  0.62856072  0.92007473
   0.62438556  0.07394256  0.11691610
   0.78608949  0.22829729  0.27975463
   0.58823391  0.31775941  0.03463162
   0.96947926  0.43279428  0.37154505
  -0.00234425  0.36280158  0.19614869
   0.74143743  0.43593263  0.16528707
   0.77096886  0.17689127  0.46650396
   0.51353599  0.12395710  0.42970115
   0.60924208  0.09011265  0.59739620
   0.83248295  0.22539221  0.78968273
   0.56966819  0.34504585  0.54695435
   0.86730193  0.46312773  0.84673918
   0.94852566  0.39244896  0.66580804
   0.69256754  0.43484305  0.69442724
   0.81264930  0.15044246  0.96912918
   0.56609478  0.11203242  0.91788084
   0.54005377  0.57235644  0.07434356
   0.84662135  0.69804876  0.30342062
   0.61919878  0.83717278  0.04712223
   0.83804130  0.96915513  0.35478220
   0.90543197  0.85711918  0.17762206
   0.65432544  0.88352145  0.23602764
   0.81608722  0.58927873  0.47203447
   0.57434004  0.56723499  0.38886663
   0.61034714  0.61716355  0.57727685
   0.83039278  0.70638108  0.79228189
   0.63567083  0.81339160  0.43842390
   0.87699414  0.95871912  0.83599467
   0.92482742  0.85586830  0.65248248
   0.67047739  0.92319327  0.72546547
   0.74677617  0.63440123  0.96790497
   0.49517560  0.70914248  0.90308027
   0.67779139  0.85181586  0.57106922
   0.72272054  0.85800818  0.45667634
   0.84866964  0.22347660  0.10215457
   1.02545683  0.39698576  0.32224059
   0.31152079  0.11516356  0.65541556
   0.23208949  0.70941782  0.75267731
  -0.02028124  1.11250549  0.14776583
   0.21559076  1.05610803  0.01371209
   0.63902136  0.38179495  0.86723964
   0.89416202  0.47582498  0.63533699
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.709111    0.116353    0.058613
    -0.000000    9.862385    0.171253
    -0.000000    0.000000   14.159964
   Si   O    H 
    32    64    10
Direct configuration=  1135
   0.17402093  0.18468942 -0.03283132
   0.37418562  0.08585816  0.37757095
   0.11520845  0.41239678  0.12787283
   0.35283509  0.34943721  0.26001683
   0.10901975  0.15860488  0.47978870
   0.41868622  0.15005925  0.85750195
   0.10353146  0.40171473  0.62540395
   0.35099742  0.40222533  0.75754190
   0.10180730  0.67290640  0.01069835
   0.40952112  0.59360450  0.36795628
   0.05779180  0.89524381  0.13830678
   0.32825273  0.84033305  0.24855751
   0.18509339  0.66777718  0.51274070
   0.34264781  0.65175732  0.87327707
   0.07130688  0.91782711  0.62025697
   0.33233363  0.98916471  0.70181839
   0.65670781  0.15958301  1.01200438
   0.85023306  0.13185972  0.36971259
   0.58895595  0.42388057  0.11875041
   0.83682387  0.30514518  0.19002649
   0.61512936  0.19065249  0.50683303
   0.89183211  0.12003128  0.87064618
   0.57018211  0.46226467  0.62099233
   0.75245088  0.37449535  0.79737523
   0.59192792  0.68605321 -0.00017963
   0.92281638  0.59805759  0.38417524
   0.57084355  0.92041299  0.13648377
   0.81523927  0.85249833  0.27160351
   0.65652614  0.64664394  0.47148903
   0.86204348  0.61510931  0.88390865
   0.59037841  0.92908223  0.63236176
   0.82692654  0.86501626  0.75452912
   0.07079312  0.05964986  0.14613512
   0.33672621  0.18445633  0.28126529
   0.13064663  0.30791238  0.03878518
   0.35000526  0.44328149  0.35052462
   0.50922486  0.37603274  0.21549551
   0.25404362  0.41738908  0.18595594
   0.25313612  0.09874613  0.44880702
   0.01723309  0.15267801  0.39006633
   0.05244455  0.05948406  0.56739563
   0.46374809  0.26898880  0.78215195
   0.12604532  0.29306096  0.54540576
   0.33765383  0.49439429  0.85609659
   0.43925899  0.48706179  0.67937406
   0.20313405  0.36194809  0.71972447
   0.30903684  0.24311195 -0.08186249
   0.04539483  0.16748492  0.89064765
   0.08733460  0.56777414  0.09804703
   0.38865849  0.69533186  0.28341959
   0.04364863  0.82527146  0.03394547
   0.35957845  0.93782363  0.33519810
   0.40508509  0.89111093  0.15612883
   0.17078312  0.80749929  0.20546975
   0.33841311  0.65783969  0.46239993
   0.07109040  0.66975415  0.41449616
   0.14044934  0.55747334  0.59257029
   0.30449053  0.74511608  0.78810357
   0.16455335  0.81178111  0.55803563
   0.36333383  1.01268846  0.81424802
   0.43401159  0.88397403  0.64931219
   0.16889801  0.94488808  0.71287697
   0.26187029  0.67961244 -0.02400588
   0.01788031  0.62634625  0.91937772
   0.62282842  0.07475261  0.11673082
   0.78724526  0.22726178  0.28117411
   0.58794141  0.31528037  0.03546730
   0.96944191  0.43146411  0.37170158
  -0.00196533  0.36211428  0.19726244
   0.74167287  0.43508411  0.16575262
   0.76907774  0.17798187  0.46659758
   0.51531026  0.12252643  0.42887032
   0.60941240  0.09035108  0.59807746
   0.83293411  0.22592619  0.79099284
   0.56891306  0.34316583  0.54675515
   0.86781996  0.46539462  0.84620751
   0.94917778  0.39309606  0.66562127
   0.69323016  0.43407005  0.69381268
   0.81304076  0.15021786  0.96920141
   0.56759965  0.11046644  0.91751735
   0.54028269  0.57019672  0.07597443
   0.84724540  0.69886789  0.30368908
   0.61900917  0.83726707  0.04745891
   0.83686108  0.96910075  0.35446934
   0.90533341  0.85711646  0.17797770
   0.65489116  0.88245495  0.23789158
   0.81381279  0.58923641  0.47142564
   0.57369572  0.56609901  0.38926510
   0.61146115  0.61785334  0.57670322
   0.82917742  0.70767923  0.79317378
   0.63536433  0.81258424  0.43757300
   0.87581352  0.95960352  0.83642885
   0.92430982  0.85540575  0.65221749
   0.67166515  0.92222739  0.72479489
   0.74644523  0.63477534  0.96787097
   0.49631314  0.70839722  0.90275728
   0.67557991  0.85822473  0.56472057
   0.72184210  0.85764917  0.46239734
   0.85119568  0.22663506  0.09925749
   1.02175998  0.38652489  0.31744607
   0.31068667  0.11513260  0.65393973
   0.22566805  0.70854032  0.75248967
  -0.01000664  1.11170032  0.14707259
   0.21308932  1.05141881  0.01132579
   0.63314193  0.38090315  0.86975957
   0.90421536  0.47089432  0.63653562
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.709747    0.117049    0.057667
    -0.000000    9.861201    0.169630
    -0.000000    0.000000   14.158052
   Si   O    H 
    32    64    10
Direct configuration=  1136
   0.17461238  0.18531147 -0.03340243
   0.37484882  0.08486569  0.37778169
   0.11463921  0.41241166  0.12735087
   0.35194709  0.34995641  0.26056274
   0.10948553  0.15713511  0.48061620
   0.42043769  0.15064930  0.85724861
   0.10311172  0.40141853  0.62554228
   0.35023052  0.40249553  0.75802980
   0.10254762  0.67292675  0.00988225
   0.40887371  0.59175813  0.36856172
   0.05913018  0.89388648  0.13919550
   0.32883509  0.83832794  0.24885244
   0.18473590  0.66733127  0.51182309
   0.34266219  0.65311052  0.87337589
   0.07091633  0.91898634  0.62091378
   0.33292912  0.98954717  0.70264254
   0.65597568  0.16008763  1.01203648
   0.85001249  0.13174045  0.36925446
   0.58814348  0.42509990  0.11832087
   0.83705348  0.30477986  0.19041715
   0.61378363  0.19032923  0.50743397
   0.89197013  0.12170467  0.87044490
   0.57028333  0.46185700  0.61923096
   0.75262578  0.37575972  0.79729244
   0.59250453  0.68663128 -0.00001975
   0.92230758  0.59840150  0.38472754
   0.57023142  0.91969907  0.13567395
   0.81451308  0.85209842  0.27217223
   0.65712676  0.64767920  0.47216002
   0.86096923  0.61366246  0.88400488
   0.59022702  0.93093074  0.63158202
   0.82626790  0.86435730  0.75344328
   0.07094271  0.06072397  0.14755937
   0.33756715  0.18440427  0.28060145
   0.13064220  0.30790826  0.03783654
   0.34975242  0.44139120  0.35118660
   0.51072813  0.37690215  0.21680415
   0.25247651  0.41628691  0.18583498
   0.25197348  0.09829068  0.44967239
   0.01585532  0.15136869  0.38882497
   0.05151023  0.05880396  0.56688332
   0.46369699  0.27072191  0.78242979
   0.12612693  0.29393066  0.54536518
   0.33674901  0.49333216  0.85589172
   0.43960089  0.48723924  0.68059180
   0.20312109  0.36265795  0.71927060
   0.30815039  0.24457870 -0.08210055
   0.04517107  0.16654896  0.89048925
   0.08643802  0.56641509  0.09786606
   0.38962955  0.69363537  0.28213568
   0.04322745  0.82351745  0.03366104
   0.35889753  0.93742080  0.33548984
   0.40396196  0.89011830  0.15697153
   0.17113835  0.80874032  0.20613107
   0.33795492  0.65724956  0.46181739
   0.07178879  0.67018248  0.41488970
   0.14190547  0.55755475  0.59266790
   0.30568012  0.74437136  0.78876837
   0.16461161  0.80933153  0.55910007
   0.36657382  1.01116547  0.81586163
   0.43521503  0.88435514  0.64874415
   0.16764230  0.94641965  0.71281108
   0.26032386  0.68078296 -0.02613491
   0.01676293  0.62491299  0.91935551
   0.62175696  0.07537698  0.11663591
   0.78828925  0.22533872  0.28265060
   0.58749372  0.31322472  0.03649833
   0.96830471  0.43087597  0.37127474
  -0.00231571  0.36017127  0.19835051
   0.74192277  0.43483809  0.16633754
   0.76724606  0.17921611  0.46692035
   0.51756819  0.12196316  0.42842143
   0.60987126  0.09085422  0.59870027
   0.83258248  0.22650744  0.79182421
   0.56745615  0.34117340  0.54583963
   0.86807768  0.46757705  0.84606047
   0.94942606  0.39393479  0.66594894
   0.69435244  0.43319276  0.69387604
   0.81391005  0.15079252  0.96975494
   0.56892856  0.10867050  0.91723187
   0.54005209  0.56853491  0.07707166
   0.84698403  0.69924090  0.30461848
   0.61924094  0.83671282  0.04763286
   0.83647437  0.96924634  0.35361922
   0.90525484  0.85755383  0.17813770
   0.65580112  0.88169522  0.23975741
   0.81090582  0.58878795  0.47070302
   0.57292376  0.56388196  0.39006109
   0.61221624  0.61747569  0.57650199
   0.82869043  0.70928039  0.79349773
   0.63539428  0.81095664  0.43705818
   0.87601839  0.96117759  0.83751241
   0.92395459  0.85509819  0.65150209
   0.67417293  0.92036716  0.72489263
   0.74622737  0.63637890  0.96770510
   0.49631587  0.70724576  0.90269812
   0.67178838  0.86497390  0.55980099
   0.71570420  0.85480241  0.46297147
   0.85480985  0.23111434  0.09798730
   1.01689473  0.38258716  0.31679546
   0.31178423  0.11956568  0.65089571
   0.21997139  0.71115342  0.75374069
  -0.00967470  1.11806799  0.14744778
   0.20818333  1.05170203  0.00759162
   0.62888543  0.37954460  0.86961253
   0.90637935  0.46781789  0.63629285
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.710687    0.117751    0.056943
    -0.000000    9.860339    0.167977
    -0.000000    0.000000   14.156225
   Si   O    H 
    32    64    10
Direct configuration=  1137
   0.17444455  0.18666681 -0.03424317
   0.37551180  0.08361203  0.37787791
   0.11444612  0.41173668  0.12651326
   0.35199329  0.35034803  0.26094522
   0.11009196  0.15602444  0.48173786
   0.42262469  0.15166642  0.85722134
   0.10206070  0.40087334  0.62588657
   0.35031051  0.40279834  0.75880583
   0.10329602  0.67241806  0.00905218
   0.40847927  0.59014657  0.36937276
   0.06007495  0.89298068  0.13996853
   0.32920914  0.83678527  0.24889529
   0.18436733  0.66663641  0.51107187
   0.34284086  0.65384990  0.87402698
   0.07027574  0.92026826  0.62167152
   0.33304905  0.99020470  0.70377290
   0.65483556  0.16051877  1.01174177
   0.85034332  0.13141952  0.36843427
   0.58709994  0.42623463  0.11781463
   0.83696176  0.30481941  0.19052533
   0.61277460  0.18946162  0.50819684
   0.89178031  0.12266080  0.86992264
   0.57112891  0.46141215  0.61768221
   0.75266883  0.37704651  0.79729754
   0.59242414  0.68726463  0.00013888
   0.92186397  0.59834062  0.38545600
   0.56959758  0.91900476  0.13552214
   0.81347551  0.85199540  0.27259135
   0.65757921  0.64800147  0.47256546
   0.85977005  0.61260616  0.88394899
   0.59038470  0.93270787  0.63085932
   0.82557762  0.86341325  0.75266709
   0.07089698  0.06095079  0.14898081
   0.33820578  0.18438666  0.27990067
   0.13049103  0.30849522  0.03715121
   0.34836068  0.43958165  0.35216902
   0.51197117  0.37761008  0.21780728
   0.25115479  0.41605965  0.18527317
   0.25017066  0.09742125  0.45058979
   0.01464358  0.15032276  0.38787712
   0.04950232  0.05814788  0.56621594
   0.46276760  0.27274028  0.78240736
   0.12642451  0.29481442  0.54489485
   0.33598175  0.49134368  0.85574382
   0.43912209  0.48740728  0.68167123
   0.20291672  0.36319241  0.71928979
   0.30836687  0.24527054 -0.08259257
   0.04598897  0.16552078  0.89040122
   0.08520601  0.56445711  0.09758642
   0.39081119  0.69226040  0.28097355
   0.04359540  0.82146704  0.03381501
   0.35746822  0.93716325  0.33628987
   0.40389992  0.88990002  0.15746637
   0.17160006  0.81060911  0.20681676
   0.33751106  0.65617495  0.46204770
   0.07253508  0.67102145  0.41508198
   0.14316754  0.55789142  0.59255440
   0.30562238  0.74471486  0.78895340
   0.16387291  0.80720556  0.55998585
   0.36970646  1.01043377  0.81710867
   0.43691955  0.88465591  0.64856277
   0.16726218  0.94711843  0.71261293
   0.25884588  0.68153574 -0.02790506
   0.01545361  0.62441439  0.91873598
   0.62049751  0.07613778  0.11524277
   0.78890000  0.22320667  0.28436317
   0.58741320  0.31141966  0.03765779
   0.96738069  0.43019189  0.37062004
  -0.00331372  0.35863844  0.19954355
   0.74186539  0.43504871  0.16694724
   0.76552786  0.18061098  0.46692448
   0.51893744  0.12205765  0.42766593
   0.61066865  0.09152700  0.59981792
   0.83284152  0.22648825  0.79241061
   0.56618898  0.33901401  0.54503556
   0.86804339  0.46894493  0.84593075
   0.94988679  0.39360603  0.66615731
   0.69546139  0.43296187  0.69420840
   0.81421385  0.15048389  0.97011856
   0.57005511  0.10657445  0.91680738
   0.54007081  0.56708609  0.07732881
   0.84607539  0.69985619  0.30614578
   0.61956463  0.83733189  0.04736072
   0.83697884  0.96875408  0.35232054
   0.90551838  0.85739264  0.17754525
   0.65663665  0.88126982  0.24172982
   0.80835845  0.58848473  0.46982305
   0.57231996  0.56202432  0.39066728
   0.61204696  0.61667964  0.57624119
   0.82756342  0.70998437  0.79402838
   0.63573544  0.80902874  0.43694911
   0.87579885  0.96253476  0.83903198
   0.92266460  0.85486215  0.65134040
   0.67653003  0.91929501  0.72595879
   0.74622051  0.63727880  0.96732246
   0.49724184  0.70615333  0.90250759
   0.66711628  0.87003169  0.55897120
   0.71510435  0.85575981  0.46295151
   0.85473815  0.23360960  0.09983901
   1.01100092  0.38472264  0.31958044
   0.31807471  0.12226237  0.65022961
   0.22095153  0.71746304  0.75769796
  -0.01216616  1.12570756  0.14630347
   0.20380857  1.05251609  0.00395107
   0.62990083  0.37774797  0.86730259
   0.89551256  0.47171076  0.63284863
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.711205    0.119029    0.056210
    -0.000000    9.859664    0.167073
    -0.000000    0.000000   14.154884
   Si   O    H 
    32    64    10
Direct configuration=  1138
   0.17384111  0.18857842 -0.03485833
   0.37609840  0.08233026  0.37821614
   0.11455619  0.41133461  0.12538808
   0.35240166  0.35030860  0.26140372
   0.11042875  0.15535336  0.48281307
   0.42453384  0.15285713  0.85744348
   0.10118312  0.40091384  0.62586952
   0.35093512  0.40242695  0.75959483
   0.10382402  0.67247272  0.00829355
   0.40869423  0.58880565  0.37021858
   0.06056926  0.89249586  0.14090375
   0.32917514  0.83523074  0.24886134
   0.18400381  0.66595600  0.51042727
   0.34345029  0.65480119  0.87463075
   0.07064482  0.92085656  0.62256497
   0.33251263  0.99089381  0.70490133
   0.65336300  0.16063491  1.01165199
   0.85045312  0.13092383  0.36811149
   0.58612640  0.42723612  0.11771472
   0.83736830  0.30493885  0.19054811
   0.61222783  0.18857040  0.50872807
   0.89208309  0.12265851  0.86914905
   0.57150987  0.46170287  0.61655094
   0.75255876  0.37768067  0.79751407
   0.59233719  0.68826685 -0.00009060
   0.92161771  0.59827838  0.38592775
   0.56904518  0.91809879  0.13575741
   0.81209167  0.85153901  0.27286145
   0.65787553  0.64833472  0.47260616
   0.85861434  0.61149750  0.88352110
   0.59043726  0.93492238  0.63021138
   0.82511405  0.86257690  0.75214903
   0.07083187  0.06211922  0.15003473
   0.33879658  0.18526698  0.27997307
   0.13019709  0.30914229  0.03610433
   0.34660864  0.43790155  0.35378526
   0.51277148  0.37821530  0.21804505
   0.24904204  0.41531296  0.18482359
   0.24925557  0.09688815  0.45082172
   0.01367421  0.15008002  0.38789183
   0.04843681  0.05727269  0.56543872
   0.46175382  0.27450448  0.78220354
   0.12669327  0.29540360  0.54410407
   0.33518166  0.48940550  0.85523888
   0.43855591  0.48790201  0.68195191
   0.20251960  0.36374432  0.71922372
   0.30899575  0.24520843 -0.08279467
   0.04824079  0.16548233  0.88968078
   0.08416290  0.56356176  0.09649970
   0.39207592  0.69115220  0.27976888
   0.04360730  0.81959189  0.03395826
   0.35628598  0.93633890  0.33709918
   0.40523737  0.89045893  0.15778183
   0.17235342  0.81273003  0.20796304
   0.33613696  0.65598405  0.46216281
   0.07383213  0.67147244  0.41502777
   0.14392140  0.55754165  0.59258078
   0.30570435  0.74489314  0.78934682
   0.16304450  0.80613497  0.56104828
   0.37222516  1.00991715  0.81832955
   0.43898799  0.88549488  0.64803176
   0.16700198  0.94785341  0.71231079
   0.25757594  0.68240428 -0.02906736
   0.01439358  0.62302321  0.91876664
   0.61895450  0.07676084  0.11387687
   0.78942436  0.22064344  0.28563106
   0.58751665  0.30954171  0.03835813
   0.96595556  0.43103115  0.36987510
  -0.00467809  0.35831289  0.20070438
   0.74166481  0.43530706  0.16758536
   0.76483725  0.18197713  0.46667944
   0.52005094  0.12216571  0.42690045
   0.61077683  0.09227501  0.60136241
   0.83241015  0.22703547  0.79288770
   0.56469221  0.33728056  0.54410316
   0.86807459  0.46975864  0.84529017
   0.94928372  0.39409368  0.66651163
   0.69634468  0.43223623  0.69504041
   0.81347222  0.15095026  0.97055366
   0.57118951  0.10529126  0.91633664
   0.53998158  0.56713238  0.07695442
   0.84648164  0.69946044  0.30760531
   0.61966393  0.83738727  0.04701036
   0.83830062  0.96846988  0.35164788
   0.90652055  0.85678789  0.17670321
   0.65668252  0.88044708  0.24343172
   0.80651746  0.58802241  0.46934973
   0.57184207  0.56088741  0.39172095
   0.61148655  0.61494658  0.57632391
   0.82746667  0.71065875  0.79453796
   0.63540463  0.80657511  0.43688897
   0.87501815  0.96354361  0.84062658
   0.92124387  0.85549571  0.65149295
   0.67863974  0.91824025  0.72728459
   0.74583271  0.63799331  0.96692111
   0.49809683  0.70428183  0.90231411
   0.66295432  0.87252305  0.55779570
   0.71337492  0.85905243  0.46084026
   0.85277412  0.23420497  0.10276538
   1.00786712  0.38489567  0.31713084
   0.32891803  0.12285234  0.65325624
   0.22303357  0.72355341  0.76159252
  -0.00654030  1.12527986  0.14572057
   0.20079039  1.05263404  0.00272752
   0.63676513  0.37286346  0.86120378
   0.88793985  0.47060143  0.63470358
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.711818    0.120432    0.055384
    -0.000000    9.858806    0.166138
    -0.000000    0.000000   14.153655
   Si   O    H 
    32    64    10
Direct configuration=  1139
   0.17305540  0.19060002 -0.03508099
   0.37623103  0.08146020  0.37820792
   0.11463896  0.41016547  0.12452079
   0.35299859  0.35009690  0.26169478
   0.11034178  0.15477679  0.48359610
   0.42681294  0.15429884  0.85735758
   0.10035507  0.40146871  0.62601533
   0.35178948  0.40206787  0.76059069
   0.10408321  0.67140679  0.00747945
   0.40844318  0.58763327  0.37089125
   0.05975662  0.89190743  0.14168493
   0.32867305  0.83444261  0.24862141
   0.18356441  0.66522574  0.50972117
   0.34408922  0.65508291  0.87572343
   0.07084084  0.92119368  0.62352188
   0.33225512  0.99195268  0.70612618
   0.65159637  0.16010601  1.01180939
   0.85094411  0.12997786  0.36812303
   0.58569476  0.42716285  0.11782644
   0.83787608  0.30526042  0.19105389
   0.61221464  0.18770686  0.50886762
   0.89319432  0.12329498  0.86888857
   0.57168974  0.46204339  0.61557121
   0.75321775  0.37843649  0.79786622
   0.59197086  0.68868780 -0.00055781
   0.92178624  0.59905612  0.38602600
   0.56898355  0.91694137  0.13668601
   0.81158319  0.85072893  0.27320401
   0.65777766  0.64918201  0.47241257
   0.85736722  0.61105543  0.88316713
   0.59020044  0.93691974  0.62967483
   0.82564705  0.86199484  0.75184798
   0.07116152  0.06301854  0.15119258
   0.34016041  0.18523712  0.28043736
   0.12963339  0.30985913  0.03549338
   0.34561371  0.43840821  0.35604260
   0.51309785  0.37839133  0.21784749
   0.24878975  0.41375154  0.18453633
   0.24919749  0.09734199  0.45121014
   0.01299431  0.14939372  0.38769013
   0.04779739  0.05651100  0.56470201
   0.46063140  0.27585652  0.78148534
   0.12725446  0.29639192  0.54255265
   0.33443765  0.48867987  0.85449344
   0.43750091  0.48890983  0.68298744
   0.20190777  0.36409169  0.71900030
   0.31006862  0.24460376 -0.08303809
   0.05050755  0.16554916  0.88881034
   0.08352331  0.56287407  0.09484555
   0.39379256  0.68976363  0.27885603
   0.04310954  0.81847482  0.03452580
   0.35446001  0.93536866  0.33769024
   0.40683260  0.89072183  0.15739163
   0.17252688  0.81556093  0.20907166
   0.33461972  0.65538796  0.46231042
   0.07537776  0.67249349  0.41537609
   0.14372170  0.55698736  0.59279881
   0.30687263  0.74558511  0.78949331
   0.16260080  0.80569648  0.56259750
   0.37457239  1.00942307  0.81909553
   0.44032297  0.88722112  0.64758423
   0.16698939  0.94775291  0.71221331
   0.25687795  0.68399654 -0.03027735
   0.01387577  0.62232354  0.91871379
   0.61835606  0.07744256  0.11231630
   0.78992210  0.21804011  0.28681171
   0.58761848  0.30770754  0.03891838
   0.96407081  0.43297239  0.36974922
  -0.00548376  0.35844338  0.20213142
   0.74145932  0.43524046  0.16790571
   0.76433316  0.18386569  0.46647468
   0.51988647  0.12220718  0.42595126
   0.61110914  0.09315570  0.60261828
   0.83136084  0.22834363  0.79336080
   0.56326190  0.33603043  0.54297209
   0.86809022  0.46895210  0.84400202
   0.94750313  0.39526126  0.66653049
   0.69684685  0.43216239  0.69584384
   0.81202650  0.15145994  0.97103430
   0.57191859  0.10462912  0.91588797
   0.53934289  0.56829359  0.07660819
   0.84697014  0.69853686  0.30913195
   0.61994517  0.83680002  0.04607478
   0.83975239  0.96833505  0.35098801
   0.90780054  0.85600955  0.17635154
   0.65619482  0.88033630  0.24466039
   0.80554854  0.58789001  0.46905609
   0.57147562  0.56030235  0.39304885
   0.61134631  0.61364810  0.57685478
   0.82789281  0.71103572  0.79521992
   0.63471832  0.80387241  0.43640033
   0.87400274  0.96339730  0.84206888
   0.92073720  0.85590300  0.65186119
   0.68112431  0.91797654  0.72882957
   0.74585466  0.63837235  0.96740235
   0.49862864  0.70220736  0.90223302
   0.66110871  0.87147493  0.55655193
   0.70815393  0.86281121  0.45806236
   0.85157107  0.23019115  0.10387033
   1.00650340  0.38657134  0.31252621
   0.33753705  0.12077435  0.65293917
   0.21661094  0.72895149  0.75950765
  -0.00334405  1.12116995  0.14465258
   0.19924673  1.05303736  0.00238618
   0.64461102  0.36447967  0.85432237
   0.88129216  0.46063237  0.63859024
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.712403    0.122472    0.054744
    -0.000000    9.857865    0.164362
    -0.000000    0.000000   14.152645
   Si   O    H 
    32    64    10
Direct configuration=  1140
   0.17221272  0.19153950 -0.03537523
   0.37583451  0.08147686  0.37800669
   0.11439908  0.40918106  0.12359524
   0.35382145  0.34961375  0.26166413
   0.11039790  0.15504533  0.48429895
   0.42933793  0.15523917  0.85751796
   0.09975943  0.40165056  0.62626892
   0.35280570  0.40204402  0.76126763
   0.10441355  0.67025774  0.00649027
   0.40839725  0.58606548  0.37121386
   0.05866360  0.89199630  0.14257185
   0.32809212  0.83318158  0.24869205
   0.18237163  0.66494959  0.50896501
   0.34506469  0.65491319  0.87689752
   0.07021321  0.92063232  0.62454753
   0.33149082  0.99282072  0.70773177
   0.65020615  0.15958032  1.01138703
   0.85166014  0.12858847  0.36882441
   0.58566316  0.42680175  0.11852962
   0.83854671  0.30574950  0.19125812
   0.61240229  0.18692948  0.50894886
   0.89436220  0.12422512  0.86882478
   0.57225806  0.46224671  0.61539160
   0.75445887  0.37870240  0.79818012
   0.59172190  0.68921376 -0.00064322
   0.92168163  0.59989698  0.38595689
   0.56921043  0.91659160  0.13751986
   0.81180750  0.85005551  0.27360144
   0.65766108  0.64974438  0.47159162
   0.85647825  0.61084427  0.88308840
   0.59043461  0.93857957  0.62938341
   0.82679315  0.86239854  0.75180816
   0.07216634  0.06230740  0.15238265
   0.34152734  0.18447792  0.28129930
   0.12849302  0.31099989  0.03469200
   0.34425178  0.43951190  0.35847050
   0.51381533  0.37839375  0.21793128
   0.24933661  0.41316715  0.18422170
   0.24966395  0.09751963  0.45156246
   0.01188755  0.14913403  0.38803498
   0.04827452  0.05647317  0.56358896
   0.45972782  0.27617314  0.78087064
   0.12778017  0.29793387  0.54075407
   0.33459844  0.48882258  0.85340820
   0.43714873  0.48972814  0.68348606
   0.20219032  0.36341295  0.71821552
   0.31111834  0.24393691 -0.08309004
   0.05266990  0.16441636  0.88824855
   0.08333689  0.56330286  0.09367038
   0.39564170  0.68849405  0.27787337
   0.04199536  0.81797240  0.03609277
   0.35284894  0.93417730  0.33824374
   0.40881362  0.89175823  0.15591480
   0.17280565  0.81793706  0.21016067
   0.33385873  0.65457767  0.46207711
   0.07677872  0.67355283  0.41597009
   0.14336788  0.55672299  0.59269336
   0.30834515  0.74761088  0.78900203
   0.16179692  0.80604994  0.56433151
   0.37648156  1.00873610  0.81917513
   0.44077642  0.88883532  0.64746489
   0.16818272  0.94811886  0.71203314
   0.25653331  0.68569100 -0.03113227
   0.01222381  0.62166525  0.91890502
   0.61816079  0.07816854  0.11054976
   0.78994423  0.21653815  0.28681823
   0.58722139  0.30620483  0.03954804
   0.96314539  0.43476953  0.36929981
  -0.00595999  0.35861764  0.20335932
   0.74145317  0.43483153  0.16749006
   0.76408867  0.18593860  0.46609219
   0.51910815  0.12203864  0.42515322
   0.61129561  0.09359210  0.60379118
   0.83014370  0.22971549  0.79300267
   0.56167115  0.33482968  0.54173236
   0.86839703  0.46697737  0.84277146
   0.94590998  0.39631239  0.66619366
   0.69636270  0.43206813  0.69636440
   0.81015655  0.15272566  0.97166086
   0.57265900  0.10452824  0.91574947
   0.53818380  0.56916303  0.07544216
   0.84791961  0.69724517  0.31053868
   0.62012279  0.83579458  0.04517632
   0.84056241  0.96746891  0.35049327
   0.90945829  0.85602727  0.17660728
   0.65524938  0.88032271  0.24532430
   0.80535232  0.58746232  0.46926527
   0.57077409  0.56067574  0.39446831
   0.61158200  0.61266654  0.57748886
   0.82810150  0.71205658  0.79563542
   0.63486916  0.80138023  0.43612148
   0.87314795  0.96349982  0.84305523
   0.91964304  0.85658993  0.65182634
   0.68239498  0.91772280  0.72976392
   0.74523167  0.63949792  0.96759538
   0.49830306  0.70067521  0.90277838
   0.66068878  0.86937199  0.55825153
   0.70616096  0.86578384  0.45389204
   0.85162564  0.22204064  0.10619284
   1.00589194  0.39515444  0.31043634
   0.34383551  0.11849596  0.65228808
   0.21317284  0.73374931  0.75980878
  -0.00883356  1.12336568  0.14135237
   0.19543703  1.05145210  0.00495154
   0.64156637  0.35790417  0.85294920
   0.87801909  0.45326064  0.64122125
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.712961    0.124112    0.054165
    -0.000000    9.857754    0.163174
    -0.000000    0.000000   14.151899
   Si   O    H 
    32    64    10
Direct configuration=  1141
   0.17114838  0.19205758 -0.03548810
   0.37559165  0.08182070  0.37738154
   0.11457052  0.40834486  0.12285513
   0.35447696  0.34836959  0.26176046
   0.11018145  0.15568652  0.48489889
   0.43137152  0.15640629  0.85769159
   0.09985720  0.40194707  0.62651229
   0.35401011  0.40130577  0.76133393
   0.10483687  0.66896093  0.00578822
   0.40873371  0.58512548  0.37178772
   0.05749289  0.89223311  0.14333225
   0.32799274  0.83246384  0.24883168
   0.18121235  0.66444931  0.50788900
   0.34641902  0.65421665  0.87773465
   0.06942856  0.91987823  0.62533585
   0.33138904  0.99304948  0.70904547
   0.64882005  0.15887093  1.01087021
   0.85276904  0.12714884  0.36991219
   0.58547831  0.42620209  0.11904093
   0.83922458  0.30628069  0.19142998
   0.61262979  0.18580796  0.50893180
   0.89475698  0.12532305  0.86832695
   0.57258978  0.46207537  0.61554850
   0.75558058  0.37839601  0.79815653
   0.59173720  0.68976500 -0.00104799
   0.92199798  0.60047862  0.38630793
   0.56957221  0.91722437  0.13862308
   0.81160579  0.84858955  0.27385635
   0.65709698  0.64972747  0.47065877
   0.85586892  0.61163398  0.88285415
   0.59098305  0.93972114  0.62935525
   0.82829161  0.86278193  0.75204575
   0.07209254  0.06147453  0.15322878
   0.34280504  0.18417205  0.28230104
   0.12743832  0.31202938  0.03347384
   0.34391821  0.44003475  0.35962509
   0.51416844  0.37802371  0.21794413
   0.25081428  0.41270404  0.18385520
   0.25047973  0.09829216  0.45178099
   0.01108867  0.14842255  0.38874630
   0.04836456  0.05662655  0.56274844
   0.45979376  0.27603706  0.77960347
   0.12816104  0.29873357  0.53892111
   0.33510752  0.48913278  0.85283541
   0.43703123  0.49132475  0.68385179
   0.20297164  0.36177900  0.71725208
   0.31268819  0.24301831 -0.08331202
   0.05471210  0.16370658  0.88765572
   0.08328555  0.56426147  0.09266711
   0.39740038  0.68680033  0.27657010
   0.04209625  0.81859400  0.03728136
   0.35172749  0.93316739  0.33898921
   0.40997147  0.89319028  0.15465986
   0.17303792  0.82077238  0.21062527
   0.33337272  0.65380302  0.46181330
   0.07835013  0.67413697  0.41649791
   0.14292949  0.55692811  0.59299397
   0.30867950  0.74999218  0.78813847
   0.16074574  0.80639612  0.56623096
   0.37837462  1.00835439  0.81966325
   0.44024252  0.89074752  0.64751523
   0.16964636  0.94812020  0.71248682
   0.25602671  0.68634736 -0.03169048
   0.01142700  0.62069746  0.91913890
   0.61721328  0.07833491  0.10915733
   0.78944755  0.21551335  0.28636196
   0.58596109  0.30506227  0.03956648
   0.96122079  0.43756214  0.36851233
  -0.00602201  0.35859436  0.20431908
   0.74191861  0.43551242  0.16691014
   0.76481258  0.18772427  0.46588751
   0.51914999  0.12175449  0.42467401
   0.61047943  0.09438753  0.60478476
   0.82890225  0.23055858  0.79218540
   0.56060443  0.33397507  0.54065476
   0.86823544  0.46443001  0.84164980
   0.94500580  0.39684704  0.66547790
   0.69538670  0.43133907  0.69672263
   0.80899410  0.15403607  0.97230412
   0.57241083  0.10401991  0.91551827
   0.53770266  0.57032000  0.07414327
   0.84848209  0.69605987  0.31178212
   0.62040403  0.83370923  0.04448893
   0.84100155  0.96631237  0.35074346
   0.91010798  0.85634452  0.17709851
   0.65273322  0.88112861  0.24476575
   0.80630930  0.58731893  0.46940817
   0.56992635  0.56104054  0.39621437
   0.61175517  0.61228965  0.57754552
   0.82814049  0.71403102  0.79546008
   0.63456928  0.80020510  0.43576687
   0.87289934  0.96289873  0.84401710
   0.91824178  0.85780019  0.65142257
   0.68231014  0.91790902  0.73059891
   0.74533906  0.64039920  0.96766914
   0.49855518  0.69901780  0.90352886
   0.66613553  0.86455311  0.55838560
   0.70225564  0.86935730  0.44901843
   0.85447129  0.21409671  0.10828353
   1.00310126  0.40599049  0.30972383
   0.34694639  0.11932594  0.64951020
   0.21834675  0.73762185  0.76129352
  -0.00837447  1.12395514  0.14123290
   0.19523079  1.05599441  0.00861743
   0.63351626  0.34868319  0.85884288
   0.86810939  0.45133689  0.64127085
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713515    0.125262    0.053565
    -0.000000    9.858297    0.162521
    -0.000000    0.000000   14.150976
   Si   O    H 
    32    64    10
Direct configuration=  1142
   0.16977719  0.19173654 -0.03552069
   0.37513111  0.08242262  0.37651286
   0.11431083  0.40791398  0.12222343
   0.35540933  0.34705102  0.26190176
   0.10940072  0.15660364  0.48535308
   0.43366704  0.15806674  0.85778140
   0.09922687  0.40258474  0.62680821
   0.35567652  0.40094568  0.76147861
   0.10491051  0.66825308  0.00509968
   0.40912274  0.58450753  0.37220781
   0.05684259  0.89249627  0.14374037
   0.32834778  0.83113705  0.24835257
   0.17875883  0.66389462  0.50670937
   0.34761158  0.65266228  0.87866612
   0.06883078  0.91917845  0.62582718
   0.33175280  0.99323312  0.70932751
   0.64755477  0.15765586  1.01019470
   0.85347661  0.12651130  0.37077911
   0.58488954  0.42569393  0.11959712
   0.83975673  0.30664809  0.19153818
   0.61316872  0.18506059  0.50915727
   0.89454828  0.12611462  0.86785450
   0.57371008  0.46204264  0.61587708
   0.75651321  0.37789405  0.79786064
   0.59166437  0.69015191 -0.00149165
   0.92273955  0.60018502  0.38681566
   0.57009439  0.91765098  0.13955696
   0.81178369  0.84687869  0.27385457
   0.65599788  0.64957629  0.46989317
   0.85581838  0.61320821  0.88291197
   0.59177015  0.94007859  0.62950211
   0.83086870  0.86321486  0.75218926
   0.07223303  0.06053764  0.15371136
   0.34361470  0.18412826  0.28294320
   0.12638896  0.31344628  0.03195023
   0.34284429  0.43963724  0.36013118
   0.51334083  0.37748421  0.21785983
   0.25351173  0.41167651  0.18364604
   0.25221298  0.09943088  0.45200315
   0.00993857  0.14758713  0.39004075
   0.04788211  0.05553651  0.56231573
   0.46042864  0.27646212  0.77799222
   0.12855581  0.29924358  0.53668525
   0.33552656  0.49004673  0.85271448
   0.43781856  0.49229741  0.68470370
   0.20276269  0.35999927  0.71661874
   0.31340748  0.24211374 -0.08360757
   0.05712978  0.16229253  0.88722651
   0.08399992  0.56446394  0.09181100
   0.39840794  0.68521504  0.27563424
   0.04264102  0.82035106  0.03831847
   0.35006981  0.93244689  0.33958107
   0.41085353  0.89453753  0.15402824
   0.17326533  0.82367885  0.21122639
   0.33368994  0.65287908  0.46144830
   0.07929832  0.67368095  0.41662165
   0.14265387  0.55725716  0.59278482
   0.30868994  0.75249441  0.78787990
   0.15978424  0.80708213  0.56788490
   0.37961059  1.00831658  0.81987849
   0.43899638  0.89240461  0.64781541
   0.17022622  0.94919266  0.71380297
   0.25570678  0.68698923 -0.03215683
   0.01029054  0.62023047  0.91954478
   0.61612176  0.07775138  0.10872310
   0.78874117  0.21528435  0.28513115
   0.58495785  0.30571002  0.04008129
   0.95836455  0.44106572  0.36788481
  -0.00524655  0.35851452  0.20483357
   0.74240861  0.43631656  0.16609789
   0.76553602  0.18897606  0.46537090
   0.51913385  0.12092046  0.42445581
   0.60997398  0.09478579  0.60551412
   0.82719398  0.23056508  0.79184222
   0.55862252  0.33349946  0.54018317
   0.86867333  0.46294564  0.84067895
   0.94395137  0.39726763  0.66430337
   0.69384201  0.43122354  0.69716131
   0.80852552  0.15491296  0.97252012
   0.57219071  0.10409163  0.91511348
   0.53709356  0.57157166  0.07236741
   0.84913211  0.69446496  0.31315718
   0.61995683  0.83185199  0.04389745
   0.84045917  0.96458055  0.35094262
   0.90930122  0.85672000  0.17762351
   0.64975157  0.88119234  0.24421904
   0.80729834  0.58672397  0.46986581
   0.56908974  0.56138177  0.39784360
   0.61196534  0.61066598  0.57741789
   0.82795724  0.71521070  0.79516347
   0.63478215  0.79890485  0.43551965
   0.87204811  0.96299501  0.84443603
   0.91719719  0.85856720  0.65137728
   0.68084878  0.91763018  0.73125015
   0.74594493  0.64038139  0.96805130
   0.49871587  0.69667715  0.90454683
   0.66786776  0.85894387  0.55892072
   0.69603091  0.87381934  0.44382951
   0.85772131  0.21215496  0.11348587
   0.99928103  0.41809940  0.30880616
   0.35034717  0.11949673  0.64809485
   0.21911161  0.73880387  0.76221531
  -0.00149122  1.12286748  0.14181417
   0.19573273  1.06178110  0.01018741
   0.62934248  0.34454000  0.86568271
   0.85889882  0.44841623  0.63980265
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713903    0.126229    0.053121
    -0.000000    9.858850    0.161671
    -0.000000    0.000000   14.150099
   Si   O    H 
    32    64    10
Direct configuration=  1143
   0.16826558  0.19143150 -0.03547842
   0.37453946  0.08328885  0.37587037
   0.11455121  0.40750165  0.12211002
   0.35676277  0.34556567  0.26242606
   0.10847594  0.15722885  0.48568547
   0.43515726  0.15905980  0.85839339
   0.09918113  0.40296039  0.62674989
   0.35710099  0.40055462  0.76153501
   0.10484028  0.66773862  0.00441439
   0.40981960  0.58376346  0.37275196
   0.05619234  0.89290760  0.14388888
   0.32915800  0.82979925  0.24782158
   0.17695563  0.66372445  0.50585690
   0.34888566  0.65049244  0.87923419
   0.06844978  0.91812873  0.62636837
   0.33215557  0.99349039  0.70920119
   0.64627924  0.15655153  1.00926610
   0.85405272  0.12618503  0.37147985
   0.58498487  0.42481382  0.12014955
   0.84015257  0.30649665  0.19150206
   0.61354991  0.18436476  0.50924948
   0.89438679  0.12690205  0.86714000
   0.57420703  0.46175299  0.61625860
   0.75644955  0.37686561  0.79753288
   0.59150793  0.68983623 -0.00200329
   0.92391959  0.59937320  0.38734232
   0.57072097  0.91855368  0.14061971
   0.81203532  0.84524152  0.27379308
   0.65470084  0.64942038  0.46905212
   0.85573425  0.61433382  0.88313746
   0.59209873  0.94068517  0.62969471
   0.83290644  0.86364547  0.75223517
   0.07237885  0.05889469  0.15336132
   0.34328310  0.18385131  0.28325515
   0.12547503  0.31478923  0.03054729
   0.34195166  0.43809579  0.36072821
   0.51226269  0.37696538  0.21772430
   0.25695698  0.40988914  0.18375833
   0.25346580  0.10077204  0.45158930
   0.00919201  0.14717948  0.39110405
   0.04704622  0.05533143  0.56169129
   0.46158290  0.27685293  0.77673059
   0.12851171  0.29908843  0.53491921
   0.33607246  0.49150769  0.85267128
   0.43861105  0.49362121  0.68456372
   0.20243670  0.35902479  0.71569213
   0.31409900  0.24148494 -0.08413088
   0.05938922  0.16079682  0.88665318
   0.08496832  0.56550135  0.09162135
   0.39911251  0.68313019  0.27480043
   0.04338626  0.82149490  0.03955863
   0.34892035  0.93122908  0.33996031
   0.41096150  0.89545640  0.15322597
   0.17377642  0.82639377  0.21135213
   0.33375519  0.65212075  0.46145733
   0.07946064  0.67340474  0.41678136
   0.14270122  0.55707590  0.59212953
   0.30822885  0.75445528  0.78769052
   0.15832350  0.80711090  0.56939526
   0.38031990  1.00915453  0.81978784
   0.43773208  0.89355692  0.64769496
   0.17018738  0.94989212  0.71519714
   0.25489506  0.68720388 -0.03288614
   0.00954499  0.62047278  0.91992525
   0.61447527  0.07628151  0.10813210
   0.78817795  0.21493178  0.28357605
   0.58387979  0.30772070  0.04016123
   0.95577480  0.44403663  0.36676106
  -0.00467963  0.35848556  0.20412638
   0.74261161  0.43669614  0.16525434
   0.76662831  0.18987353  0.46494703
   0.51916047  0.11992724  0.42429989
   0.60984770  0.09570977  0.60596932
   0.82588360  0.23024297  0.79161089
   0.55677556  0.33386497  0.53978248
   0.86922608  0.46196796  0.84031700
   0.94240670  0.39738916  0.66271270
   0.69248617  0.43096443  0.69634045
   0.80862409  0.15536675  0.97243857
   0.57132141  0.10465253  0.91508357
   0.53650280  0.57309592  0.07140174
   0.84847946  0.69339496  0.31420640
   0.61988283  0.83067857  0.04389681
   0.84120812  0.96394747  0.35135172
   0.90777531  0.85658060  0.17848595
   0.64779870  0.88110198  0.24269802
   0.80884666  0.58651764  0.47093149
   0.56741280  0.56138576  0.39879818
   0.61138039  0.60925928  0.57712523
   0.82787952  0.71622544  0.79533589
   0.63440055  0.79776417  0.43567170
   0.87099442  0.96324267  0.84507266
   0.91652971  0.85898329  0.65170071
   0.67929890  0.91661727  0.73147211
   0.74636734  0.64114832  0.96859555
   0.49919142  0.69458790  0.90548954
   0.66812009  0.85683583  0.56168054
   0.68947820  0.87929320  0.43865162
   0.86029575  0.20864560  0.11886612
   0.99906811  0.42779638  0.30395587
   0.35223819  0.11894259  0.65009559
   0.22039876  0.74011008  0.76490066
   0.00092503  1.12239328  0.14102861
   0.19699438  1.06526095  0.01043631
   0.63076412  0.34853784  0.86892927
   0.85323560  0.44250230  0.63944298
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713904    0.126878    0.053116
    -0.000000    9.859476    0.161220
    -0.000000    0.000000   14.149789
   Si   O    H 
    32    64    10
Direct configuration=  1144
   0.16752877  0.19101377 -0.03555209
   0.37320842  0.08401698  0.37525853
   0.11492877  0.40703308  0.12187136
   0.35806465  0.34440300  0.26326396
   0.10748569  0.15792909  0.48581380
   0.43676268  0.15979929  0.85902408
   0.09940029  0.40329195  0.62617290
   0.35722693  0.40076189  0.76093135
   0.10455796  0.66809862  0.00368322
   0.41113011  0.58286173  0.37323221
   0.05555099  0.89344863  0.14382017
   0.33031649  0.82946001  0.24770462
   0.17555766  0.66433011  0.50528429
   0.34952718  0.64877653  0.87924230
   0.06857075  0.91705637  0.62662936
   0.33285005  0.99332967  0.70904906
   0.64477022  0.15565707  1.00773762
   0.85431153  0.12630454  0.37237230
   0.58494224  0.42343766  0.12094655
   0.84067997  0.30664408  0.19092938
   0.61415981  0.18404675  0.50907716
   0.89413758  0.12764158  0.86685823
   0.57396727  0.46159129  0.61686638
   0.75617259  0.37592630  0.79735579
   0.59209269  0.68955305 -0.00253281
   0.92542434  0.59860195  0.38795523
   0.57181205  0.91925884  0.14109189
   0.81180202  0.84362322  0.27382182
   0.65461311  0.64943014  0.46859152
   0.85576298  0.61529687  0.88354738
   0.59273192  0.94102562  0.62991427
   0.83441446  0.86411839  0.75240212
   0.07243920  0.05759270  0.15272468
   0.34238497  0.18354728  0.28300283
   0.12441428  0.31739817  0.02981019
   0.34070100  0.43666853  0.36125546
   0.51091400  0.37616726  0.21729587
   0.25930385  0.40729046  0.18330599
   0.25484754  0.10146780  0.45155155
   0.00870159  0.14765779  0.39256908
   0.04542996  0.05451995  0.56109755
   0.46286355  0.27623081  0.77630615
   0.12864213  0.29931162  0.53327779
   0.33657967  0.49303926  0.85297272
   0.43872185  0.49484359  0.68422449
   0.20321237  0.35795545  0.71516872
   0.31453218  0.24075673 -0.08427937
   0.06121827  0.15917074  0.88629003
   0.08528357  0.56597552  0.09134898
   0.39948207  0.68140152  0.27393620
   0.04382844  0.82194917  0.04130909
   0.34744566  0.93021498  0.33959366
   0.41017057  0.89662372  0.15287228
   0.17487432  0.82851876  0.21230913
   0.33262152  0.65188677  0.46166565
   0.07874211  0.67280582  0.41691096
   0.14244961  0.55777844  0.59110039
   0.30927647  0.75615712  0.78801110
   0.15712382  0.80758539  0.56993421
   0.38084057  1.01038656  0.81980444
   0.43557856  0.89456551  0.64683460
   0.16967351  0.95010817  0.71666752
   0.25440726  0.68702510 -0.03309278
   0.00826497  0.62119268  0.92020272
   0.61275335  0.07447590  0.10752703
   0.78706412  0.21535049  0.28168059
   0.58297785  0.31039023  0.03978363
   0.95322684  0.44650310  0.36590875
  -0.00328822  0.35852261  0.20302657
   0.74287034  0.43727770  0.16462935
   0.76717811  0.19067781  0.46421098
   0.51865301  0.11892628  0.42424139
   0.60983920  0.09631379  0.60615118
   0.82489945  0.22956066  0.79122219
   0.55478054  0.33438709  0.53982140
   0.87009027  0.46148355  0.84059708
   0.94093322  0.39775344  0.66116325
   0.69182302  0.43168594  0.69503286
   0.80895602  0.15557235  0.97253729
   0.56992354  0.10546366  0.91513518
   0.53654262  0.57331966  0.07084990
   0.84764445  0.69241897  0.31478287
   0.61939580  0.82953059  0.04401272
   0.84309075  0.96391360  0.35155146
   0.90571763  0.85543638  0.18027770
   0.64687674  0.88136709  0.24127063
   0.81048541  0.58631603  0.47178378
   0.56558275  0.56139965  0.39894756
   0.61148992  0.60708042  0.57615555
   0.82766965  0.71611969  0.79543840
   0.63337018  0.79752688  0.43499007
   0.87017662  0.96344144  0.84569144
   0.91694150  0.85969855  0.65190852
   0.67768830  0.91664052  0.73078423
   0.74679324  0.64126439  0.96864211
   0.50004905  0.69211576  0.90588179
   0.66804632  0.85852202  0.56685588
   0.68266492  0.88125040  0.43478971
   0.86294081  0.20286528  0.12013225
   0.99974700  0.43626288  0.29948466
   0.35078856  0.11977472  0.65275597
   0.21336082  0.74080646  0.76630513
  -0.00148617  1.12261699  0.13989036
   0.19988730  1.06632529  0.01213505
   0.63909533  0.35947762  0.86838146
   0.85310912  0.43490311  0.64079376
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713559    0.127210    0.053026
    -0.000000    9.860472    0.161398
    -0.000000    0.000000   14.149350
   Si   O    H 
    32    64    10
Direct configuration=  1145
   0.16697323  0.19099770 -0.03561823
   0.37178439  0.08443571  0.37478234
   0.11561922  0.40684818  0.12196883
   0.35988629  0.34328045  0.26423395
   0.10675212  0.15871400  0.48633762
   0.43772483  0.16021888  0.85994684
   0.09989074  0.40304370  0.62571434
   0.35681658  0.40055783  0.76053872
   0.10364468  0.66880616  0.00358404
   0.41189194  0.58275162  0.37367264
   0.05496807  0.89402298  0.14337245
   0.33123433  0.82922008  0.24809801
   0.17468825  0.66506295  0.50533399
   0.34955378  0.64783051  0.87916898
   0.06846967  0.91649413  0.62635851
   0.33282440  0.99305393  0.70918949
   0.64366293  0.15527152  1.00633663
   0.85476866  0.12694443  0.37315218
   0.58490953  0.42300972  0.12165230
   0.84172859  0.30668120  0.19038393
   0.61471093  0.18456116  0.50924194
   0.89330335  0.12861676  0.86718832
   0.57300227  0.46122328  0.61762010
   0.75512393  0.37495762  0.79692554
   0.59254816  0.68859563 -0.00280271
   0.92688260  0.59860930  0.38876200
   0.57280988  0.91954216  0.14154120
   0.81109482  0.84178955  0.27360247
   0.65468496  0.64900107  0.46846113
   0.85553434  0.61606301  0.88357372
   0.59335949  0.94111002  0.63015640
   0.83531450  0.86435774  0.75240648
   0.07254395  0.05604927  0.15201164
   0.34097430  0.18371214  0.28228234
   0.12327404  0.32002924  0.02961564
   0.33891618  0.43455667  0.36106805
   0.50986731  0.37621890  0.21669884
   0.26178847  0.40378067  0.18257435
   0.25519964  0.10308392  0.45170647
   0.00867153  0.14801388  0.39430626
   0.04351510  0.05334747  0.56150148
   0.46354713  0.27489274  0.77582578
   0.12870627  0.30012090  0.53248134
   0.33744636  0.49420452  0.85278221
   0.43903129  0.49633465  0.68369568
   0.20391723  0.35693223  0.71433365
   0.31497773  0.23938235 -0.08401297
   0.06190913  0.15743016  0.88636219
   0.08588577  0.56698143  0.09132149
   0.39976330  0.67990579  0.27332956
   0.04436011  0.82216747  0.04292440
   0.34658735  0.92931055  0.33921362
   0.40940566  0.89777130  0.15294734
   0.17484617  0.83055567  0.21326487
   0.33173757  0.65201223  0.46279748
   0.07738672  0.67161136  0.41684917
   0.14189448  0.55774223  0.58952094
   0.31009978  0.75707724  0.78855396
   0.15568239  0.80776206  0.56998567
   0.38148557  1.01207486  0.82007320
   0.43382250  0.89636883  0.64583268
   0.16874933  0.94998237  0.71777968
   0.25404974  0.68717639 -0.03331795
   0.00804106  0.62180412  0.92065835
   0.61094764  0.07262972  0.10703496
   0.78644907  0.21471002  0.28002384
   0.58254931  0.31247149  0.03940009
   0.95144108  0.44898041  0.36481593
  -0.00163998  0.35905805  0.20121028
   0.74313689  0.43722501  0.16389775
   0.76747749  0.19150897  0.46281386
   0.51964377  0.11724852  0.42407459
   0.60930772  0.09767240  0.60603662
   0.82405127  0.22927850  0.79087982
   0.55304115  0.33475374  0.54021135
   0.87077915  0.46192659  0.84163002
   0.93970106  0.39808838  0.65951588
   0.69289288  0.43197343  0.69433557
   0.80894467  0.15679275  0.97215924
   0.56921384  0.10629049  0.91554023
   0.53696056  0.57261818  0.07058140
   0.84560303  0.69235842  0.31505940
   0.61865654  0.82838629  0.04480163
   0.84408821  0.96356027  0.35135476
   0.90478657  0.85464045  0.18171885
   0.64584912  0.88116316  0.24028640
   0.81216579  0.58628078  0.47253686
   0.56406961  0.56064116  0.39903776
   0.61192590  0.60603043  0.57506249
   0.82761805  0.71564402  0.79550435
   0.63208460  0.79786613  0.43386098
   0.86963270  0.96447897  0.84557499
   0.91748836  0.86055311  0.65231067
   0.67669225  0.91644811  0.73009464
   0.74830081  0.64138142  0.96855871
   0.50103743  0.68988131  0.90567578
   0.66841222  0.85558381  0.57357994
   0.68006726  0.88377260  0.43175676
   0.86347028  0.19761186  0.11711675
   0.99844253  0.44014619  0.30064197
   0.34590246  0.11923021  0.65497428
   0.21113669  0.74270571  0.77109550
  -0.00482750  1.11855200  0.14297227
   0.20555461  1.06885661  0.01624314
   0.64712091  0.37218818  0.86700269
   0.85086176  0.43007750  0.64249527
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713409    0.128082    0.052700
    -0.000000    9.861513    0.161420
    -0.000000    0.000000   14.148752
   Si   O    H 
    32    64    10
Direct configuration=  1146
   0.16701028  0.19119090 -0.03538168
   0.37023404  0.08493555  0.37428026
   0.11700074  0.40740086  0.12189240
   0.36113028  0.34256447  0.26546526
   0.10518158  0.15937142  0.48689266
   0.43888773  0.16123886  0.86098492
   0.10042093  0.40319444  0.62512304
   0.35563994  0.40040359  0.75995498
   0.10257511  0.67033168  0.00329368
   0.41232748  0.58219239  0.37353171
   0.05454210  0.89451267  0.14297881
   0.33126013  0.82969747  0.24860159
   0.17354045  0.66535335  0.50565156
   0.34956117  0.64769481  0.87912893
   0.06878895  0.91556247  0.62586767
   0.33263962  0.99263837  0.70966354
   0.64276556  0.15505841  1.00579982
   0.85505507  0.12776223  0.37352157
   0.58462642  0.42353370  0.12217571
   0.84251207  0.30686256  0.18990128
   0.61562427  0.18558120  0.50904004
   0.89253355  0.12971752  0.86744883
   0.57203098  0.46108981  0.61876525
   0.75413520  0.37382402  0.79627693
   0.59298795  0.68738763 -0.00286162
   0.92833236  0.59931762  0.38956253
   0.57390956  0.91925105  0.14189740
   0.80985974  0.84006135  0.27360932
   0.65471920  0.64857238  0.46835538
   0.85516222  0.61614742  0.88352517
   0.59390560  0.94099529  0.63002144
   0.83590301  0.86461909  0.75239782
   0.07290740  0.05467166  0.15175429
   0.33989336  0.18431250  0.28137249
   0.12235824  0.32284361  0.02958181
   0.33724478  0.43251442  0.36021305
   0.50880714  0.37624691  0.21695727
   0.26324885  0.40054336  0.18144082
   0.25479363  0.10424118  0.45184197
   0.00825177  0.14814762  0.39582268
   0.04169915  0.05220185  0.56172515
   0.46361635  0.27340079  0.77604494
   0.12861666  0.30184652  0.53177585
   0.33737992  0.49391031  0.85280009
   0.43894012  0.49672142  0.68327918
   0.20398615  0.35612614  0.71314270
   0.31511671  0.23824360 -0.08368592
   0.06226549  0.15496103  0.88600951
   0.08569277  0.56644257  0.09205350
   0.39954390  0.67857862  0.27248489
   0.04506236  0.82235756  0.04383595
   0.34673285  0.92807086  0.33912893
   0.40800013  0.89854174  0.15375034
   0.17493321  0.83268399  0.21405071
   0.33070362  0.65308907  0.46382902
   0.07577135  0.67024073  0.41649870
   0.14088898  0.55770365  0.58845049
   0.31062796  0.75772419  0.78905782
   0.15473919  0.80676248  0.56949315
   0.38188360  1.01329252  0.82015625
   0.43277219  0.89743720  0.64533969
   0.16725671  0.94959126  0.71808582
   0.25405944  0.68783189 -0.03305083
   0.00866233  0.62308779  0.92124355
   0.60988071  0.07104489  0.10640064
   0.78613177  0.21350986  0.27828330
   0.58179137  0.31383745  0.03847995
   0.95084297  0.45067227  0.36345994
   0.00088350  0.35965672  0.19939919
   0.74396245  0.43728952  0.16362333
   0.76718792  0.19180824  0.46218218
   0.51963946  0.11572791  0.42419229
   0.60838784  0.09862008  0.60590250
   0.82449529  0.22878613  0.79052513
   0.55157819  0.33452736  0.54092106
   0.87127777  0.46320118  0.84283692
   0.93904788  0.39775782  0.65773116
   0.69374713  0.43194944  0.69424958
   0.80782834  0.15884919  0.97184179
   0.56822155  0.10632304  0.91557051
   0.53680326  0.57184974  0.07075725
   0.84334357  0.69191279  0.31458858
   0.61715838  0.82758815  0.04601440
   0.84524125  0.96278607  0.35096081
   0.90413685  0.85390124  0.18246704
   0.64547727  0.88097924  0.23878916
   0.81389854  0.58660193  0.47298409
   0.56349373  0.56024636  0.39904622
   0.61261212  0.60499179  0.57374698
   0.82720733  0.71617309  0.79553456
   0.63023969  0.79909504  0.43241336
   0.86913130  0.96481180  0.84467253
   0.91855572  0.86157339  0.65262000
   0.67518204  0.91609563  0.72948389
   0.74990219  0.64113082  0.96853262
   0.50241054  0.68782286  0.90523090
   0.67046623  0.84988808  0.57625451
   0.67921344  0.88545189  0.42815337
   0.86321099  0.19631055  0.11366347
   0.99684143  0.44116945  0.30342176
   0.33765670  0.11945244  0.65697084
   0.21390307  0.74814603  0.77405027
  -0.00763128  1.11355777  0.14607472
   0.21361912  1.06775479  0.01948445
   0.65328643  0.38564946  0.86856144
   0.84420071  0.42687622  0.64304195
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713374    0.129475    0.052853
    -0.000000    9.862538    0.161277
    -0.000000    0.000000   14.148342
   Si   O    H 
    32    64    10
Direct configuration=  1147
   0.16864392  0.19168534 -0.03513405
   0.36875553  0.08522309  0.37397931
   0.11874006  0.40836504  0.12174338
   0.36222144  0.34187820  0.26597888
   0.10387718  0.15995358  0.48737161
   0.43977459  0.16226451  0.86190041
   0.10117467  0.40413989  0.62464980
   0.35485698  0.40052700  0.75926557
   0.10163850  0.67188902  0.00315444
   0.41223758  0.58162369  0.37318027
   0.05435419  0.89502588  0.14304150
   0.33204195  0.83048599  0.24896794
   0.17196885  0.66560498  0.50627042
   0.34975235  0.64841110  0.87869409
   0.06944645  0.91453577  0.62534463
   0.33239558  0.99223621  0.71013848
   0.64224991  0.15525805  1.00577721
   0.85388646  0.12829952  0.37371167
   0.58512149  0.42375621  0.12285250
   0.84297375  0.30684399  0.18927941
   0.61648044  0.18649403  0.50875314
   0.89270320  0.13100623  0.86753371
   0.57054051  0.46124616  0.61945220
   0.75353466  0.37301556  0.79544576
   0.59371130  0.68594239 -0.00276252
   0.92958982  0.60035449  0.39039189
   0.57516118  0.91887572  0.14195153
   0.80801980  0.83893064  0.27344481
   0.65483694  0.64784485  0.46816607
   0.85455879  0.61656823  0.88335378
   0.59424047  0.94092347  0.63031768
   0.83570156  0.86517841  0.75240603
   0.07338646  0.05319984  0.15204706
   0.33959091  0.18423452  0.28013852
   0.12159894  0.32491929  0.02936081
   0.33551291  0.43175881  0.36006478
   0.50707727  0.37580040  0.21713236
   0.26424526  0.39790835  0.17999381
   0.25490725  0.10520268  0.45217648
   0.00923800  0.14858191  0.39713564
   0.03909186  0.05045134  0.56305421
   0.46432081  0.27152538  0.77625669
   0.12872181  0.30514119  0.53082631
   0.33745615  0.49326509  0.85290657
   0.43846332  0.49664695  0.68322924
   0.20493424  0.35503970  0.71192215
   0.31460737  0.23715461 -0.08295316
   0.06162201  0.15251789  0.88516590
   0.08560649  0.56599712  0.09269345
   0.39958927  0.67738836  0.27214927
   0.04581772  0.82206000  0.04476990
   0.34652790  0.92805328  0.33923462
   0.40671750  0.89902913  0.15410984
   0.17393027  0.83437834  0.21561771
   0.32934192  0.65373414  0.46464425
   0.07386950  0.66920361  0.41587263
   0.13976878  0.55622392  0.58745875
   0.31022885  0.75786959  0.78965351
   0.15414253  0.80576069  0.56891471
   0.38270206  1.01469963  0.82025661
   0.43175914  0.89907368  0.64482283
   0.16552283  0.94875565  0.71827573
   0.25438129  0.68824352 -0.03318413
   0.00945629  0.62449514  0.92145313
   0.60931792  0.07081374  0.10578387
   0.78599253  0.21209196  0.27717741
   0.58093579  0.31457204  0.03746698
   0.94989094  0.45172238  0.36188732
   0.00306730  0.36029874  0.19745246
   0.74503030  0.43826497  0.16349430
   0.76754083  0.19155235  0.46181162
   0.51927440  0.11421877  0.42443402
   0.60811730  0.09930965  0.60547842
   0.82485381  0.22766673  0.78977179
   0.55042944  0.33437181  0.54116084
   0.87238825  0.46442619  0.84399065
   0.93885098  0.39816109  0.65625081
   0.69406133  0.43234159  0.69431304
   0.80697239  0.16183382  0.97194302
   0.56630599  0.10685513  0.91552764
   0.53658308  0.57085612  0.07164743
   0.84139796  0.69115729  0.31450714
   0.61568804  0.82684990  0.04780855
   0.84560785  0.96287845  0.35096243
   0.90419541  0.85442033  0.18258396
   0.64672034  0.88020050  0.23746027
   0.81604436  0.58727597  0.47315028
   0.56332015  0.55974665  0.39934423
   0.61285238  0.60391405  0.57213032
   0.82696649  0.71555969  0.79556693
   0.62886123  0.80046553  0.43093052
   0.86867299  0.96456313  0.84361790
   0.91946025  0.86138917  0.65300564
   0.67380699  0.91654463  0.72958651
   0.75213962  0.64069218  0.96808339
   0.50291827  0.68608051  0.90481063
   0.67309551  0.84573239  0.57773230
   0.67896294  0.88194714  0.42482968
   0.86211408  0.19956476  0.10945455
   0.99502320  0.43937477  0.30216117
   0.32548875  0.12733916  0.65956689
   0.21929755  0.75206021  0.77606221
  -0.01226182  1.11077568  0.14735844
   0.21503095  1.06879205  0.01951915
   0.65248519  0.39757256  0.87081165
   0.84340782  0.42181436  0.64222319
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713113    0.130492    0.052780
    -0.000000    9.863209    0.161506
    -0.000000    0.000000   14.148133
   Si   O    H 
    32    64    10
Direct configuration=  1148
   0.17047737  0.19193636 -0.03504485
   0.36731497  0.08494522  0.37372596
   0.12010850  0.41014423  0.12251509
   0.36329598  0.34161680  0.26649370
   0.10233314  0.16077322  0.48769163
   0.44057939  0.16260580  0.86261663
   0.10151465  0.40552936  0.62381081
   0.35430244  0.40069498  0.75853034
   0.10118990  0.67364973  0.00294114
   0.41177881  0.58170574  0.37286102
   0.05445217  0.89515854  0.14307924
   0.33256547  0.83086616  0.24914170
   0.17042571  0.66577176  0.50722787
   0.34992034  0.64930682  0.87781614
   0.07036311  0.91480579  0.62495635
   0.33204762  0.99113679  0.71039830
   0.64182240  0.15575642  1.00590730
   0.85260124  0.12885293  0.37397374
   0.58559111  0.42446804  0.12365455
   0.84364415  0.30569508  0.18898975
   0.61691471  0.18814409  0.50777690
   0.89350598  0.13197043  0.86782941
   0.56961387  0.46182045  0.62006583
   0.75257768  0.37312301  0.79490725
   0.59443077  0.68408160 -0.00271120
   0.93038998  0.60143163  0.39132582
   0.57635134  0.91762174  0.14163960
   0.80627824  0.83846184  0.27310912
   0.65537891  0.64711375  0.46811646
   0.85390497  0.61713340  0.88338378
   0.59377458  0.94063789  0.63098345
   0.83564730  0.86619066  0.75244927
   0.07383056  0.05215094  0.15261984
   0.33870356  0.18372254  0.27874064
   0.12067624  0.32600189  0.02840553
   0.33393488  0.43026626  0.35915497
   0.50610871  0.37522382  0.21800371
   0.26478579  0.39564566  0.17876869
   0.25480989  0.10630343  0.45281837
   0.01005716  0.14886817  0.39805454
   0.03672887  0.04889076  0.56397880
   0.46513813  0.27051693  0.77679929
   0.12770628  0.30788598  0.53008636
   0.33773561  0.49195256  0.85308625
   0.43770337  0.49628304  0.68315767
   0.20656256  0.35464134  0.71065450
   0.31328294  0.23728248 -0.08268359
   0.06035067  0.15036731  0.88456991
   0.08580510  0.56542296  0.09293313
   0.39980464  0.67624591  0.27258927
   0.04681216  0.82115303  0.04563398
   0.34633188  0.92851660  0.33966631
   0.40594176  0.89927514  0.15469793
   0.17269708  0.83596356  0.21698895
   0.32732461  0.65412307  0.46480693
   0.07276926  0.66926331  0.41505649
   0.13863582  0.55458025  0.58654948
   0.31081327  0.75760531  0.79057250
   0.15354725  0.80437452  0.56822223
   0.38330368  1.01602626  0.82021533
   0.43117725  0.89997950  0.64413735
   0.16347940  0.94782430  0.71859219
   0.25396853  0.68867186 -0.03375546
   0.00915231  0.62549594  0.92135599
   0.60894748  0.07028678  0.10512998
   0.78657131  0.21094084  0.27667822
   0.58010331  0.31494281  0.03642822
   0.94995821  0.45199085  0.36036831
   0.00576859  0.36011167  0.19553027
   0.74503324  0.43866741  0.16314687
   0.76747405  0.19171805  0.46221810
   0.51866656  0.11305047  0.42469878
   0.60797822  0.10007062  0.60461192
   0.82436446  0.22581126  0.78881149
   0.54988693  0.33402635  0.54209418
   0.87382862  0.46581848  0.84470274
   0.93991131  0.39806716  0.65484911
   0.69427395  0.43291496  0.69503767
   0.80627504  0.16533158  0.97221141
   0.56525973  0.10694004  0.91540209
   0.53636025  0.56966698  0.07257968
   0.84021732  0.69029056  0.31491425
   0.61424319  0.82605464  0.04955578
   0.84614816  0.96344238  0.35107943
   0.90393737  0.85467892  0.18276469
   0.64822440  0.87932398  0.23729114
   0.81736263  0.58851262  0.47340475
   0.56381053  0.55877689  0.40015869
   0.61204357  0.60302562  0.57050620
   0.82654504  0.71486233  0.79530610
   0.62684556  0.80139452  0.42981369
   0.86890279  0.96467414  0.84243798
   0.92021728  0.86171816  0.65365118
   0.67239502  0.91631941  0.72941405
   0.75395563  0.63994945  0.96770678
   0.50283615  0.68471909  0.90457982
   0.67413743  0.84268705  0.57529348
   0.68319827  0.88315906  0.42359236
   0.85954166  0.20899615  0.10915993
   0.99645018  0.43847268  0.29950997
   0.31667748  0.13431183  0.66384976
   0.20929253  0.75639965  0.77369482
  -0.01043352  1.10602922  0.14977747
   0.21303803  1.07217864  0.01816265
   0.64919793  0.41020456  0.87215233
   0.83969217  0.42200506  0.63965830
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713007    0.131497    0.052469
    -0.000000    9.863460    0.161634
    -0.000000    0.000000   14.147830
   Si   O    H 
    32    64    10
Direct configuration=  1149
   0.17250853  0.19220428 -0.03487260
   0.36614787  0.08433312  0.37353899
   0.12118580  0.41168207  0.12350894
   0.36401944  0.34083686  0.26670036
   0.10156763  0.16075605  0.48814103
   0.44106017  0.16257610  0.86344098
   0.10146560  0.40671853  0.62269477
   0.35361668  0.40024896  0.75787725
   0.10066536  0.67543603  0.00334717
   0.41042171  0.58131988  0.37252127
   0.05485061  0.89502871  0.14339690
   0.33342974  0.83083193  0.24967558
   0.16900184  0.66609351  0.50815345
   0.34957101  0.65022025  0.87677280
   0.07137303  0.91516222  0.62487406
   0.33187338  0.99075012  0.71110495
   0.64184747  0.15631840  1.00592787
   0.85141003  0.12851649  0.37372076
   0.58527471  0.42522600  0.12415787
   0.84436565  0.30472824  0.18861673
   0.61699282  0.18977501  0.50685916
   0.89399048  0.13267831  0.86856282
   0.56922108  0.46201489  0.62050933
   0.75145822  0.37319415  0.79459614
   0.59580562  0.68274872 -0.00321116
   0.93086970  0.60231596  0.39207767
   0.57640927  0.91668106  0.14136388
   0.80488905  0.83820818  0.27336141
   0.65638208  0.64631014  0.46806137
   0.85335157  0.61718676  0.88305280
   0.59377889  0.94009303  0.63140572
   0.83464744  0.86682008  0.75316127
   0.07358677  0.05246721  0.15272921
   0.33767134  0.18290219  0.27795279
   0.11999980  0.32616124  0.02705288
   0.33273540  0.42877972  0.35873778
   0.50595329  0.37535114  0.21909044
   0.26509443  0.39305260  0.17792337
   0.25383048  0.10680430  0.45326918
   0.01041077  0.14931805  0.39783650
   0.03421555  0.04772277  0.56480600
   0.46583786  0.27046188  0.77698883
   0.12626281  0.31072603  0.52974344
   0.33808430  0.49101816  0.85308410
   0.43643945  0.49565067  0.68291862
   0.20806690  0.35429779  0.70942799
   0.31255542  0.23744343 -0.08233207
   0.05867944  0.14864903  0.88355375
   0.08623154  0.56539262  0.09320512
   0.40064526  0.67639335  0.27280171
   0.04706591  0.82050555  0.04565192
   0.34587306  0.92876621  0.33991979
   0.40553073  0.89914878  0.15529923
   0.17168799  0.83786252  0.21834810
   0.32600285  0.65439304  0.46490360
   0.07212010  0.66999868  0.41394746
   0.13785532  0.55261530  0.58634139
   0.31082722  0.75653372  0.79107953
   0.15345201  0.80231405  0.56749109
   0.38345065  1.01740301  0.81976477
   0.43140520  0.90076736  0.64347875
   0.16231661  0.94715810  0.71921213
   0.25335336  0.68916835 -0.03418272
   0.00818057  0.62561311  0.92048952
   0.60817565  0.06953302  0.10380268
   0.78664333  0.21043298  0.27635376
   0.57943389  0.31433497  0.03555182
   0.94992251  0.45108680  0.35925742
   0.00869864  0.35937606  0.19453241
   0.74527203  0.43802879  0.16285221
   0.76779000  0.19178660  0.46209916
   0.51854713  0.11277742  0.42481765
   0.60759029  0.10119954  0.60434169
   0.82411055  0.22398428  0.78819382
   0.54957504  0.33403720  0.54308718
   0.87441948  0.46637299  0.84502226
   0.94144035  0.39770645  0.65311912
   0.69558752  0.43293413  0.69512576
   0.80530976  0.16803565  0.97205168
   0.56506590  0.10636416  0.91597127
   0.53590875  0.56888691  0.07367791
   0.83844792  0.68974663  0.31531098
   0.61284753  0.82540850  0.05120054
   0.84573669  0.96383863  0.35184251
   0.90323574  0.85492058  0.18310946
   0.64886941  0.87770650  0.23753414
   0.81760875  0.58993287  0.47394930
   0.56536144  0.55760481  0.40061388
   0.61065932  0.60230499  0.56906204
   0.82615705  0.71368485  0.79465786
   0.62517328  0.80268196  0.42898554
   0.86859730  0.96566934  0.84084478
   0.92099413  0.86195628  0.65405589
   0.67173020  0.91617072  0.72982186
   0.75531279  0.63915971  0.96776403
   0.50271232  0.68428656  0.90457638
   0.67245208  0.84206047  0.57333834
   0.68781931  0.87905625  0.42299931
   0.85418534  0.21938473  0.11098877
   0.99916675  0.43751473  0.29946678
   0.30825962  0.13667457  0.66802017
   0.20813098  0.76183694  0.77488085
  -0.01116247  1.10128250  0.15223856
   0.21256069  1.07229238  0.01913268
   0.64758623  0.41658763  0.87072127
   0.84750929  0.42275668  0.63686445
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713285    0.133067    0.051936
    -0.000000    9.863753    0.161370
    -0.000000    0.000000   14.148139
   Si   O    H 
    32    64    10
Direct configuration=  1150
   0.17387088  0.19253622 -0.03458598
   0.36573855  0.08348189  0.37341612
   0.12245033  0.41316290  0.12437868
   0.36471487  0.34020659  0.26610526
   0.10081704  0.16102340  0.48891789
   0.44009859  0.16256389  0.86373381
   0.10108959  0.40701180  0.62223878
   0.35321467  0.39919494  0.75696140
   0.09966143  0.67675500  0.00389746
   0.40912456  0.58081994  0.37203681
   0.05498171  0.89430546  0.14399685
   0.33464745  0.83062459  0.25015197
   0.16875761  0.66635665  0.50874454
   0.34948623  0.65097485  0.87588918
   0.07269615  0.91592399  0.62482141
   0.33113919  0.99081240  0.71199468
   0.64246595  0.15723053  1.00642162
   0.85076230  0.12799769  0.37338155
   0.58570531  0.42613728  0.12473079
   0.84503083  0.30425885  0.18862314
   0.61723197  0.19105696  0.50618012
   0.89436235  0.13318964  0.86909917
   0.56843525  0.46199080  0.62065625
   0.75050847  0.37335828  0.79416235
   0.59782524  0.68167009 -0.00320149
   0.93084917  0.60326588  0.39270808
   0.57625466  0.91634734  0.14119359
   0.80394692  0.83805752  0.27386889
   0.65757444  0.64564797  0.46816073
   0.85383815  0.61686939  0.88240648
   0.59409393  0.93959697  0.63161296
   0.83333439  0.86743705  0.75334024
   0.07314433  0.05357135  0.15281886
   0.33622249  0.18122016  0.27741110
   0.12053435  0.32677987  0.02538866
   0.33190212  0.42788582  0.35841275
   0.50631875  0.37612364  0.21996411
   0.26485624  0.39031362  0.17691621
   0.25209315  0.10746901  0.45390475
   0.01025157  0.14970369  0.39670877
   0.03209745  0.04759556  0.56554138
   0.46644935  0.27094839  0.77690560
   0.12584829  0.31326417  0.52967525
   0.33839760  0.48980956  0.85302696
   0.43646553  0.49539751  0.68255017
   0.20923537  0.35415811  0.70821296
   0.31261716  0.23770604 -0.08201614
   0.05736820  0.14672154  0.88291083
   0.08717510  0.56602293  0.09295959
   0.40122287  0.67664729  0.27338264
   0.04736788  0.82013203  0.04531793
   0.34614849  0.92930222  0.33938782
   0.40573257  0.89876375  0.15556865
   0.17053402  0.83919745  0.21997641
   0.32474210  0.65411045  0.46531061
   0.07070781  0.67105245  0.41356691
   0.13708622  0.55175566  0.58587699
   0.30998094  0.75466416  0.79193060
   0.15397185  0.80080199  0.56681455
   0.38356189  1.01825459  0.81936886
   0.43206067  0.90104498  0.64277331
   0.16166997  0.94714295  0.72045156
   0.25383399  0.68983504 -0.03488532
   0.00775608  0.62554098  0.91987648
   0.60836583  0.06865249  0.10231739
   0.78708183  0.20997032  0.27630600
   0.57868607  0.31287368  0.03482905
   0.94976206  0.44906215  0.35823275
   0.01018176  0.35876092  0.19390495
   0.74516436  0.43712326  0.16270920
   0.76858070  0.19186088  0.46212406
   0.51939498  0.11136023  0.42525926
   0.60667821  0.10219091  0.60407854
   0.82361978  0.22281683  0.78773446
   0.55012225  0.33376014  0.54433627
   0.87524294  0.46649039  0.84491275
   0.94269560  0.39770354  0.65196347
   0.69680765  0.43319385  0.69493189
   0.80438079  0.16994218  0.97166241
   0.56500615  0.10496336  0.91650038
   0.53570161  0.56801404  0.07441446
   0.83621924  0.68845584  0.31543597
   0.61188324  0.82488211  0.05268645
   0.84576536  0.96369302  0.35238470
   0.90276468  0.85573341  0.18415460
   0.64991226  0.87667404  0.23783257
   0.81741997  0.59102653  0.47430842
   0.56670335  0.55599422  0.40073569
   0.60941829  0.60167468  0.56859266
   0.82585449  0.71248779  0.79412900
   0.62407314  0.80379865  0.42867195
   0.86856921  0.96725244  0.83900649
   0.92197516  0.86239383  0.65495746
   0.67274503  0.91644170  0.73055580
   0.75596924  0.63879788  0.96822641
   0.50305575  0.68370834  0.90423055
   0.66919068  0.84554367  0.57358092
   0.69071055  0.87489827  0.42318299
   0.84713801  0.22288709  0.10795207
   0.99818515  0.43393212  0.30108170
   0.30072349  0.13481303  0.67197561
   0.21511465  0.76637560  0.77616092
  -0.01776792  1.10129486  0.15397181
   0.21158019  1.07037662  0.02174531
   0.64716654  0.41897089  0.86906922
   0.85903660  0.42377748  0.63520998
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713645    0.134387    0.050966
    -0.000000    9.863537    0.160699
    -0.000000    0.000000   14.148417
   Si   O    H 
    32    64    10
Direct configuration=  1151
   0.17453462  0.19265399 -0.03412897
   0.36552499  0.08316427  0.37341742
   0.12451203  0.41463471  0.12487164
   0.36472582  0.33993530  0.26539395
   0.10059155  0.16095346  0.48987427
   0.43867335  0.16349096  0.86383863
   0.10019851  0.40645840  0.62168474
   0.35272408  0.39883180  0.75588958
   0.09895708  0.67828479  0.00436155
   0.40723466  0.58067461  0.37177700
   0.05510172  0.89356138  0.14509546
   0.33551993  0.83003928  0.25057392
   0.16869534  0.66623810  0.50870908
   0.34913785  0.65073566  0.87547036
   0.07392725  0.91617332  0.62506120
   0.33082584  0.99093295  0.71303040
   0.64310497  0.15871892  1.00706386
   0.85006265  0.12740540  0.37266517
   0.58611075  0.42701174  0.12469295
   0.84583612  0.30456120  0.18809942
   0.61714088  0.19171926  0.50588346
   0.89373350  0.13341830  0.86971631
   0.56781635  0.46200540  0.62035587
   0.75019232  0.37476481  0.79405082
   0.59974628  0.68140983 -0.00275950
   0.93053121  0.60376556  0.39362712
   0.57557512  0.91602294  0.14112580
   0.80342139  0.83776771  0.27484801
   0.65882945  0.64544490  0.46823247
   0.85426313  0.61695730  0.88156780
   0.59420454  0.93869629  0.63162881
   0.83212329  0.86831555  0.75350002
   0.07241326  0.05517601  0.15308252
   0.33569849  0.17964274  0.27719084
   0.12092072  0.32658485  0.02417097
   0.33174977  0.42765598  0.35815201
   0.50677647  0.37751078  0.22059131
   0.26474103  0.38740406  0.17597227
   0.25066351  0.10845791  0.45380320
   0.01026017  0.15040957  0.39495093
   0.03110320  0.04787999  0.56583961
   0.46703531  0.27190932  0.77712176
   0.12471053  0.31489297  0.52977087
   0.33870763  0.48937308  0.85274737
   0.43661748  0.49483637  0.68199986
   0.21063117  0.35395956  0.70742320
   0.31253066  0.23709508 -0.08183622
   0.05610809  0.14453443  0.88232804
   0.08823065  0.56647772  0.09290482
   0.40097160  0.67599743  0.27344213
   0.04851140  0.81998172  0.04475240
   0.34567607  0.93075024  0.33913413
   0.40658784  0.89858848  0.15608833
   0.16944534  0.84006123  0.22137109
   0.32330601  0.65353402  0.46479755
   0.06952043  0.67198599  0.41351995
   0.13586351  0.55165420  0.58565947
   0.30923366  0.75270166  0.79299002
   0.15464077  0.79935235  0.56648104
   0.38360889  1.01972692  0.81884557
   0.43324670  0.90161255  0.64244560
   0.16180280  0.94744604  0.72173700
   0.25439801  0.69025016 -0.03579197
   0.00802350  0.62655730  0.91909144
   0.60840106  0.06803100  0.10120648
   0.78722562  0.20951122  0.27609617
   0.57816112  0.31072834  0.03476324
   0.94945423  0.44706029  0.35733010
   0.01147420  0.35816414  0.19357219
   0.74478865  0.43631239  0.16314470
   0.76985870  0.19090598  0.46239917
   0.51980294  0.11005686  0.42615912
   0.60510268  0.10373528  0.60360998
   0.82251731  0.22167082  0.78705052
   0.55125707  0.33402153  0.54566984
   0.87573124  0.46564157  0.84460868
   0.94484731  0.39700932  0.65139105
   0.69736325  0.43348709  0.69514274
   0.80317246  0.17109545  0.97108328
   0.56563513  0.10319490  0.91751213
   0.53563752  0.56684695  0.07497000
   0.83411646  0.68738577  0.31518648
   0.61170763  0.82387349  0.05422046
   0.84552629  0.96397329  0.35334539
   0.90202630  0.85732793  0.18511532
   0.65064364  0.87549223  0.23793681
   0.81788646  0.59226102  0.47462505
   0.56754054  0.55427916  0.40045655
   0.60837405  0.60073225  0.56891265
   0.82587841  0.71201809  0.79343644
   0.62296666  0.80499592  0.42759308
   0.86905084  0.96885920  0.83721847
   0.92291576  0.86209411  0.65658959
   0.67387953  0.91742012  0.73105753
   0.75644818  0.63913577  0.96869411
   0.50351870  0.68363438  0.90342269
   0.66550234  0.84709009  0.57578522
   0.69538685  0.87541242  0.42434163
   0.84228886  0.22069456  0.10424939
   1.00022612  0.42882434  0.30107329
   0.29821418  0.13060233  0.67373288
   0.21566089  0.77209859  0.77768834
  -0.01830550  1.10018187  0.15559735
   0.20743046  1.06659529  0.02377195
   0.64335496  0.41332435  0.86613952
   0.84820750  0.43114975  0.62885209
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.714472    0.135891    0.050059
    -0.000000    9.863023    0.160713
    -0.000000    0.000000   14.148705
   Si   O    H 
    32    64    10
Direct configuration=  1152
   0.17459788  0.19261948 -0.03332599
   0.36470832  0.08240436  0.37356693
   0.12604064  0.41589954  0.12520346
   0.36429621  0.33941137  0.26422503
   0.10051218  0.16107590  0.49093727
   0.43738852  0.16402518  0.86364594
   0.09959751  0.40590177  0.62150390
   0.35232806  0.39881341  0.75559297
   0.09788795  0.67924661  0.00522739
   0.40587216  0.58045088  0.37143874
   0.05495060  0.89243638  0.14654609
   0.33511010  0.83020029  0.25092554
   0.16885646  0.66597108  0.50863593
   0.34928244  0.65088958  0.87484967
   0.07550183  0.91636498  0.62565480
   0.33023050  0.99046426  0.71403534
   0.64394850  0.16009018  1.00790285
   0.84954148  0.12724843  0.37214664
   0.58630118  0.42691310  0.12427954
   0.84655511  0.30495394  0.18733658
   0.61657288  0.19244042  0.50547636
   0.89357049  0.13295124  0.87038006
   0.56702553  0.46170534  0.62004417
   0.75008811  0.37597225  0.79440180
   0.60183488  0.68072117 -0.00221366
   0.93005450  0.60364171  0.39423993
   0.57520787  0.91541176  0.14100479
   0.80314851  0.83772098  0.27579927
   0.66063158  0.64577789  0.46786088
   0.85496438  0.61719254  0.88081583
   0.59476500  0.93829889  0.63134093
   0.83147324  0.86916716  0.75364211
   0.07122252  0.05704363  0.15278483
   0.33550109  0.17707918  0.27763808
   0.12136841  0.32600885  0.02306617
   0.33078868  0.42816765  0.35825735
   0.50734175  0.37899962  0.22086522
   0.26526422  0.38492856  0.17529751
   0.24937579  0.10980311  0.45413514
   0.01157333  0.15178045  0.39339969
   0.03037214  0.04905385  0.56577644
   0.46731006  0.27377720  0.77691084
   0.12310422  0.31605807  0.53007656
   0.33891730  0.48911930  0.85200016
   0.43549908  0.49371519  0.68136667
   0.21180351  0.35343887  0.70629974
   0.31291431  0.23633234 -0.08171621
   0.05534911  0.14284482  0.88198355
   0.08935659  0.56737774  0.09262314
   0.40035512  0.67570538  0.27364689
   0.04999300  0.81952224  0.04479812
   0.34613779  0.93203812  0.33887567
   0.40833214  0.89884696  0.15701897
   0.16918715  0.84109557  0.22230823
   0.32183813  0.65288170  0.46433706
   0.06837051  0.67371837  0.41373972
   0.13522303  0.55180376  0.58520254
   0.30805286  0.75141033  0.79427357
   0.15571861  0.79890602  0.56668348
   0.38406689  1.02142309  0.81863007
   0.43440719  0.90298220  0.64188466
   0.16143909  0.94801342  0.72284867
   0.25466934  0.69113172 -0.03670525
   0.00855282  0.62738364  0.91807071
   0.60780718  0.06738122  0.10039480
   0.78795754  0.20921203  0.27592247
   0.57762380  0.30917917  0.03546385
   0.94889103  0.44586611  0.35636593
   0.01244080  0.35764067  0.19329966
   0.74405443  0.43554447  0.16346138
   0.77067837  0.19041699  0.46274878
   0.52011926  0.10985137  0.42629540
   0.60438242  0.10476312  0.60360865
   0.82087616  0.22121684  0.78586556
   0.55214237  0.33406546  0.54623900
   0.87588518  0.46461572  0.84380522
   0.94646184  0.39642210  0.65094653
   0.69804915  0.43351310  0.69527148
   0.80214673  0.17186328  0.97038634
   0.56614406  0.10150485  0.91837564
   0.53574040  0.56533879  0.07566458
   0.83245279  0.68701507  0.31518307
   0.61140271  0.82319398  0.05497010
   0.84526451  0.96405181  0.35346270
   0.90151351  0.85823760  0.18638562
   0.65090726  0.87407826  0.23848849
   0.81796119  0.59343243  0.47474287
   0.56785456  0.55198854  0.40019753
   0.60844152  0.59984935  0.56952706
   0.82509614  0.71201971  0.79200418
   0.62203296  0.80577991  0.42646321
   0.87048073  0.97140706  0.83538074
   0.92376935  0.86153557  0.65877737
   0.67486597  0.91839455  0.73118321
   0.75688223  0.63949801  0.96971531
   0.50464843  0.68388205  0.90260435
   0.66882096  0.84625393  0.57667713
   0.69775723  0.87255114  0.42789871
   0.84099087  0.21978005  0.10251950
   1.00334801  0.42084229  0.29833883
   0.29553966  0.12247252  0.67164749
   0.21256425  0.77924637  0.78333962
  -0.01585877  1.09738523  0.15608132
   0.20589016  1.06298327  0.02513301
   0.63760104  0.40426523  0.86315913
   0.85017068  0.43498309  0.62455886
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.714906    0.138036    0.049299
    -0.000000    9.862330    0.160757
    -0.000000    0.000000   14.148977
   Si   O    H 
    32    64    10
Direct configuration=  1153
   0.17355161  0.19275627 -0.03290019
   0.36420493  0.08097278  0.37358762
   0.12736237  0.41647734  0.12499991
   0.36392221  0.33851975  0.26318517
   0.10014753  0.16125526  0.49191205
   0.43627665  0.16476429  0.86311662
   0.09919938  0.40544813  0.62180965
   0.35197018  0.39868904  0.75546587
   0.09681601  0.67924952  0.00560474
   0.40458350  0.58040507  0.37172608
   0.05451597  0.89139954  0.14767098
   0.33470398  0.83026561  0.25146002
   0.16878139  0.66602957  0.50885916
   0.34902421  0.65010908  0.87430482
   0.07702681  0.91607797  0.62628427
   0.32900654  0.99033523  0.71510688
   0.64454007  0.16080747  1.00855914
   0.84926917  0.12686778  0.37196541
   0.58652098  0.42653153  0.12385532
   0.84701742  0.30508091  0.18642655
   0.61564316  0.19346542  0.50492927
   0.89270602  0.13185630  0.87062840
   0.56598173  0.46056570  0.61985375
   0.75031950  0.37669081  0.79451197
   0.60382901  0.67987223 -0.00148962
   0.92942033  0.60286078  0.39454328
   0.57524001  0.91546908  0.14043086
   0.80256483  0.83736377  0.27647217
   0.66166190  0.64648683  0.46707014
   0.85597742  0.61731545  0.87978196
   0.59552608  0.93812830  0.63112051
   0.83092313  0.86914938  0.75394312
   0.07083073  0.05881811  0.15268572
   0.33458572  0.17479581  0.27821164
   0.12148337  0.32483457  0.02230408
   0.33031721  0.42859747  0.35799313
   0.50803866  0.38049541  0.22130126
   0.26562942  0.38285397  0.17489417
   0.24799061  0.11111178  0.45420687
   0.01261227  0.15404666  0.39191791
   0.02953760  0.05147647  0.56579127
   0.46736383  0.27516724  0.77700717
   0.12066437  0.31695303  0.53062272
   0.33920818  0.48913062  0.85152654
   0.43369697  0.49316377  0.68053332
   0.21306189  0.35418865  0.70529555
   0.31377638  0.23541553 -0.08115993
   0.05440231  0.14142882  0.88202525
   0.09004481  0.56804239  0.09203922
   0.39947853  0.67565703  0.27354543
   0.05110049  0.81981711  0.04572967
   0.34712498  0.93228528  0.33868627
   0.41028726  0.89997596  0.15797935
   0.16891285  0.84164887  0.22329513
   0.32075352  0.65222710  0.46330601
   0.06797976  0.67465613  0.41391671
   0.13485203  0.55172932  0.58463769
   0.30716424  0.75125467  0.79509094
   0.15585666  0.79843080  0.56672688
   0.38405004  1.02266999  0.81854616
   0.43442983  0.90471119  0.64111004
   0.16132685  0.94897399  0.72350782
   0.25448683  0.69091908 -0.03701171
   0.00995951  0.62779293  0.91694405
   0.60720653  0.06630866  0.09977234
   0.78889159  0.20958320  0.27615177
   0.57681716  0.30801919  0.03667585
   0.94922178  0.44534802  0.35572192
   0.01190109  0.35753318  0.19331590
   0.74368268  0.43517872  0.16417262
   0.77131729  0.18932281  0.46307563
   0.52006359  0.10964992  0.42623621
   0.60394018  0.10552298  0.60389974
   0.82017157  0.22048255  0.78448820
   0.55336204  0.33421712  0.54616978
   0.87587025  0.46335660  0.84303365
   0.94692999  0.39642633  0.65013363
   0.69788244  0.43328455  0.69448133
   0.80130655  0.17349732  0.97029214
   0.56630770  0.10017071  0.91881064
   0.53674505  0.56474277  0.07617964
   0.83146809  0.68648706  0.31505740
   0.61180942  0.82185150  0.05550142
   0.84467388  0.96370327  0.35307686
   0.90092574  0.85953339  0.18735163
   0.65089892  0.87303864  0.23862006
   0.81827224  0.59425041  0.47526810
   0.56784734  0.54945599  0.39975141
   0.60760172  0.59912881  0.56967416
   0.82494971  0.71216817  0.79136216
   0.62112613  0.80612446  0.42555350
   0.87226647  0.97392266  0.83373691
   0.92398600  0.86145127  0.66110917
   0.67622115  0.91875654  0.73127478
   0.75650526  0.63983298  0.97065831
   0.50666081  0.68472683  0.90220338
   0.67520253  0.84182554  0.57327935
   0.69934976  0.87013845  0.42985396
   0.84365421  0.21758229  0.10284623
   1.00191727  0.41451977  0.30023937
   0.29510370  0.11840319  0.66667708
   0.21093966  0.78710976  0.78926976
  -0.02332371  1.10254450  0.15969679
   0.20333664  1.06396732  0.02369974
   0.62959287  0.39575260  0.86172828
   0.86466666  0.43479929  0.62398932
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.715436    0.141222    0.048096
    -0.000000    9.861787    0.160300
    -0.000000    0.000000   14.149537
   Si   O    H 
    32    64    10
Direct configuration=  1154
   0.17225041  0.19242687 -0.03233164
   0.36405502  0.07976631  0.37364457
   0.12872013  0.41643529  0.12466717
   0.36384991  0.33763126  0.26243638
   0.09993965  0.16095536  0.49250030
   0.43567895  0.16511320  0.86238636
   0.09887477  0.40518518  0.62238156
   0.35183607  0.39847012  0.75573595
   0.09558296  0.67884922  0.00614634
   0.40288876  0.58011213  0.37209420
   0.05333030  0.89122177  0.14844366
   0.33392764  0.82950140  0.25211090
   0.16879774  0.66587603  0.50885076
   0.34848865  0.64956192  0.87379250
   0.07804559  0.91587592  0.62679433
   0.32807054  0.99020721  0.71612330
   0.64498749  0.16126915  1.00899897
   0.84863082  0.12666425  0.37159392
   0.58611212  0.42603826  0.12318581
   0.84742287  0.30470284  0.18561335
   0.61503038  0.19391053  0.50433628
   0.89168527  0.13031966  0.87061526
   0.56540166  0.45943190  0.61970655
   0.75067918  0.37743404  0.79448747
   0.60468868  0.67900238 -0.00054471
   0.92819594  0.60130162  0.39395204
   0.57531857  0.91514041  0.13972441
   0.80258017  0.83757391  0.27720206
   0.66296843  0.64715943  0.46640968
   0.85671137  0.61672943  0.87880462
   0.59643772  0.93790561  0.63116848
   0.83016883  0.86932843  0.75436430
   0.07013045  0.06046727  0.15275516
   0.33274160  0.17272138  0.27935509
   0.12142890  0.32299846  0.02158541
   0.32929796  0.42955732  0.35749085
   0.50781836  0.38123401  0.22125441
   0.26605904  0.38158713  0.17423735
   0.24745257  0.11293254  0.45446213
   0.01337593  0.15657016  0.39016778
   0.02943682  0.05380123  0.56596206
   0.46752711  0.27633330  0.77694337
   0.11918770  0.31740566  0.53097077
   0.33974969  0.48885941  0.85060767
   0.43175288  0.49294931  0.68018322
   0.21261643  0.35462127  0.70433467
   0.31510117  0.23415433 -0.08051634
   0.05326741  0.14115330  0.88246166
   0.09080479  0.56836014  0.09098845
   0.39847775  0.67603228  0.27368124
   0.05185955  0.82095760  0.04672691
   0.34888608  0.93203529  0.33833854
   0.41153547  0.90094487  0.15892143
   0.16865216  0.84162596  0.22408496
   0.32016664  0.65134663  0.46173437
   0.06774222  0.67521946  0.41438057
   0.13457563  0.55201942  0.58480707
   0.30676687  0.75129445  0.79570345
   0.15592104  0.79877774  0.56684250
   0.38342822  1.02351219  0.81832716
   0.43446869  0.90623198  0.64115832
   0.16115139  0.94908049  0.72391871
   0.25420891  0.69036979 -0.03662371
   0.01087172  0.62769803  0.91572471
   0.60690947  0.06584393  0.09938127
   0.78964800  0.20983244  0.27681222
   0.57570783  0.30715850  0.03852699
   0.94922762  0.44523332  0.35536185
   0.01078619  0.35727684  0.19311271
   0.74367860  0.43430819  0.16485400
   0.77183406  0.19015944  0.46288757
   0.51962771  0.10982213  0.42608249
   0.60363997  0.10570016  0.60402616
   0.81976526  0.22049543  0.78308452
   0.55435197  0.33415887  0.54607003
   0.87559565  0.46205002  0.84200310
   0.94636598  0.39582399  0.64969156
   0.69769148  0.43362744  0.69340608
   0.80127731  0.17532874  0.96985450
   0.56631096  0.09869508  0.91907271
   0.53750352  0.56480616  0.07652161
   0.83078404  0.68673749  0.31496198
   0.61153940  0.81922631  0.05578774
   0.84418092  0.96334889  0.35253293
   0.90042216  0.86009233  0.18863953
   0.65077448  0.87236485  0.23795310
   0.81866921  0.59444463  0.47644960
   0.56728207  0.54779319  0.39951558
   0.60645845  0.59991073  0.56982057
   0.82472716  0.71211566  0.79091897
   0.62068793  0.80650289  0.42496504
   0.87378504  0.97633020  0.83219320
   0.92460217  0.86076214  0.66271619
   0.67778190  0.91960807  0.73094004
   0.75690346  0.63978760  0.97118638
   0.50865544  0.68566857  0.90260538
   0.67972849  0.83770216  0.56837415
   0.70014686  0.86559302  0.43349738
   0.84598940  0.21719320  0.10435058
   0.99875296  0.40923805  0.30016250
   0.29456621  0.11900781  0.66111319
   0.21609823  0.79420270  0.79364800
  -0.02371780  1.10573231  0.16341207
   0.20480944  1.06735553  0.01792432
   0.62186935  0.38668416  0.85902759
   0.87569318  0.43490724  0.62301018
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.716084    0.144623    0.046812
    -0.000000    9.861010    0.159973
    -0.000000    0.000000   14.150480
   Si   O    H 
    32    64    10
Direct configuration=  1155
   0.17116241  0.19222774 -0.03225663
   0.36455206  0.07899500  0.37367952
   0.12966116  0.41640643  0.12420241
   0.36283695  0.33689482  0.26163445
   0.09967612  0.16072868  0.49253607
   0.43496697  0.16505137  0.86192460
   0.09923896  0.40466638  0.62308989
   0.35192975  0.39789641  0.75597784
   0.09469101  0.67809176  0.00630429
   0.40120597  0.57919221  0.37245153
   0.05224682  0.89062289  0.14932785
   0.33323404  0.82874972  0.25234371
   0.16880235  0.66579619  0.50892859
   0.34767548  0.64904783  0.87347712
   0.07864029  0.91518515  0.62739584
   0.32716395  0.99044248  0.71654047
   0.64492603  0.16162037  1.00946123
   0.84893170  0.12631112  0.37177812
   0.58633293  0.42514799  0.12268779
   0.84799207  0.30386508  0.18478288
   0.61424003  0.19406717  0.50385273
   0.89014302  0.12936643  0.87065725
   0.56503627  0.45828575  0.61971221
   0.75075715  0.37692752  0.79435700
   0.60537809  0.67833533  0.00026748
   0.92654734  0.60035855  0.39317111
   0.57444929  0.91484095  0.13950098
   0.80291242  0.83777129  0.27789529
   0.66404353  0.64764677  0.46565002
   0.85666007  0.61593643  0.87783755
   0.59674140  0.93779499  0.63115061
   0.82931702  0.86963344  0.75502262
   0.06773063  0.06172641  0.15297754
   0.33138084  0.17182433  0.28037216
   0.12112226  0.32130765  0.02126970
   0.32790220  0.43038381  0.35675275
   0.50787398  0.38145571  0.22133575
   0.26656989  0.38040204  0.17387056
   0.24703632  0.11439974  0.45472317
   0.01399138  0.15848129  0.38857433
   0.02944711  0.05580590  0.56601897
   0.46688373  0.27747051  0.77681206
   0.11859248  0.31686277  0.53094295
   0.33974357  0.48820009  0.84963466
   0.42940862  0.49240532  0.67990748
   0.21274764  0.35593900  0.70411871
   0.31665227  0.23286162 -0.07924513
   0.05312185  0.14139096  0.88343861
   0.09130003  0.56881141  0.08991777
   0.39808650  0.67685741  0.27391900
   0.05178234  0.82254617  0.04772263
   0.35051897  0.93137672  0.33800891
   0.41257603  0.90144398  0.15985131
   0.16931077  0.84112213  0.22478459
   0.31970799  0.64943895  0.46006759
   0.06769038  0.67553060  0.41518129
   0.13497988  0.55262893  0.58445061
   0.30608890  0.75195406  0.79570598
   0.15723380  0.79903470  0.56659175
   0.38336932  1.02396080  0.81806624
   0.43456180  0.90809440  0.64157345
   0.16104054  0.94888975  0.72451232
   0.25316447  0.69024604 -0.03606062
   0.01156485  0.62737595  0.91506119
   0.60712852  0.06572403  0.09956305
   0.79002390  0.21047075  0.27722557
   0.57535128  0.30646036  0.04023300
   0.94914238  0.44554313  0.35553022
   0.00963885  0.35770698  0.19328084
   0.74385891  0.43436253  0.16557679
   0.77323283  0.19078976  0.46246565
   0.51913066  0.10985859  0.42612351
   0.60301590  0.10607010  0.60452556
   0.81888322  0.22025441  0.78239693
   0.55524731  0.33506449  0.54576819
   0.87564936  0.46088473  0.84109019
   0.94644131  0.39475400  0.64996492
   0.69648008  0.43371779  0.69195672
   0.80199430  0.17699743  0.96998648
   0.56633389  0.09761191  0.91902503
   0.53838504  0.56559468  0.07682663
   0.83053932  0.68748676  0.31545718
   0.61122118  0.81589607  0.05519278
   0.84342512  0.96296418  0.35169322
   0.90010114  0.86079243  0.18984930
   0.65006703  0.87161327  0.23713186
   0.81877799  0.59472198  0.47751402
   0.56686514  0.54624155  0.39904480
   0.60529447  0.60085026  0.57001059
   0.82414849  0.71212731  0.79045193
   0.61991704  0.80641860  0.42470951
   0.87496428  0.97732002  0.83067222
   0.92609177  0.86020553  0.66450831
   0.67812518  0.92007870  0.73112704
   0.75688788  0.64007899  0.97132234
   0.51161238  0.68578654  0.90345216
   0.67924805  0.83834593  0.57011502
   0.70108066  0.86215203  0.43708726
   0.85025582  0.21958033  0.10540209
   0.99558974  0.40473574  0.30353375
   0.29621156  0.12070670  0.65667591
   0.21918764  0.79745167  0.79765578
  -0.01442040  1.10772158  0.16355924
   0.20564547  1.06606502  0.01278036
   0.61923472  0.38043650  0.85609758
   0.86596401  0.44380578  0.61628897
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.716705    0.147968    0.045896
    -0.000000    9.859814    0.160255
    -0.000000    0.000000   14.151402
   Si   O    H 
    32    64    10
Direct configuration=  1156
   0.17056904  0.19170761 -0.03180865
   0.36529614  0.07844098  0.37395803
   0.13004277  0.41608195  0.12348548
   0.36221312  0.33592939  0.26108361
   0.09920483  0.16091418  0.49248132
   0.43404830  0.16412112  0.86127103
   0.09989568  0.40481184  0.62372607
   0.35200716  0.39665561  0.75626724
   0.09403078  0.67729618  0.00595899
   0.39998990  0.57832679  0.37318731
   0.05165053  0.89015072  0.15033485
   0.33277045  0.82851107  0.25248358
   0.16895505  0.66502488  0.50857442
   0.34729802  0.64860716  0.87378683
   0.07871295  0.91416850  0.62798955
   0.32581735  0.99099993  0.71671030
   0.64417283  0.16229002  1.00964901
   0.84955060  0.12635576  0.37174976
   0.58668202  0.42386868  0.12193684
   0.84912291  0.30409489  0.18424678
   0.61342989  0.19402344  0.50360019
   0.88871329  0.12875935  0.87116570
   0.56495157  0.45760232  0.61997401
   0.75081940  0.37617241  0.79434100
   0.60540170  0.67742896  0.00129866
   0.92493079  0.59942162  0.39236683
   0.57394030  0.91398174  0.13919132
   0.80354622  0.83829473  0.27858372
   0.66432568  0.64862573  0.46484842
   0.85656607  0.61516550  0.87710432
   0.59774149  0.93779950  0.63133137
   0.82861853  0.86978478  0.75567908
   0.06609383  0.06200055  0.15286760
   0.32967470  0.17178867  0.28182618
   0.12107743  0.31887509  0.02133696
   0.32748547  0.43106378  0.35559176
   0.50823922  0.38079083  0.22091674
   0.26795393  0.37934490  0.17349761
   0.24841228  0.11560459  0.45533761
   0.01368258  0.15993704  0.38745605
   0.02983274  0.05676022  0.56636964
   0.46590685  0.27783377  0.77657466
   0.11860048  0.31569487  0.53035366
   0.33877593  0.48882108  0.84901867
   0.42676009  0.49126767  0.67945439
   0.21264514  0.35752515  0.70431757
   0.31693134  0.23295966 -0.07782804
   0.05285179  0.14163561  0.88462981
   0.09184764  0.56918208  0.08911438
   0.39748404  0.67785508  0.27431122
   0.05165617  0.82388404  0.04863428
   0.35207991  0.93094105  0.33720787
   0.41308612  0.90180666  0.16124780
   0.16969620  0.84047930  0.22618480
   0.31906582  0.64693859  0.45858499
   0.06896783  0.67537257  0.41541140
   0.13605186  0.55284071  0.58391875
   0.30477673  0.75276027  0.79516629
   0.15742080  0.79963229  0.56622860
   0.38403421  1.02317831  0.81810671
   0.43512719  0.90868369  0.64240009
   0.16117326  0.94914679  0.72512695
   0.25203691  0.69060351 -0.03535326
   0.01241898  0.62749448  0.91441669
   0.60789925  0.06513346  0.09958170
   0.79090469  0.21189637  0.27747118
   0.57498722  0.30548293  0.04089460
   0.94836801  0.44473941  0.35603600
   0.00826372  0.35757400  0.19354807
   0.74364812  0.43364647  0.16616504
   0.77402694  0.19145925  0.46191884
   0.51916002  0.10989389  0.42639233
   0.60293305  0.10653571  0.60428812
   0.81853248  0.22051201  0.78182413
   0.55570089  0.33606510  0.54493919
   0.87523674  0.45978396  0.84071582
   0.94421340  0.39379247  0.65022315
   0.69553062  0.43366697  0.69091840
   0.80399133  0.17854940  0.96992822
   0.56618601  0.09732863  0.91914498
   0.53909311  0.56610887  0.07718235
   0.83042045  0.68752184  0.31563119
   0.61127249  0.81267390  0.05489055
   0.84270391  0.96263232  0.35129825
   0.90044376  0.86117122  0.19086050
   0.64909300  0.87111925  0.23627208
   0.81899431  0.59434359  0.47852809
   0.56647848  0.54499739  0.39873827
   0.60470889  0.60284170  0.57028405
   0.82329159  0.71219064  0.78989331
   0.61953026  0.80660464  0.42466226
   0.87530807  0.97845707  0.82919192
   0.92708077  0.85971723  0.66563468
   0.67818629  0.92127773  0.73141391
   0.75723264  0.64000557  0.97078484
   0.51425636  0.68635466  0.90471111
   0.67661619  0.83916546  0.57109238
   0.70089337  0.86080467  0.44009855
   0.85720290  0.22079066  0.10356121
   0.99860270  0.40350045  0.30548177
   0.30098900  0.12164749  0.65265016
   0.22080427  0.80273489  0.80179966
  -0.01472781  1.11539399  0.16157245
   0.20783657  1.06259872  0.01183181
   0.62416514  0.37441035  0.85402910
   0.86167240  0.44712721  0.61382132
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.716942    0.151484    0.045068
    -0.000000    9.858503    0.160595
    -0.000000    0.000000   14.152268
   Si   O    H 
    32    64    10
Direct configuration=  1157
   0.17019069  0.19062070 -0.03151855
   0.36670778  0.07842825  0.37445964
   0.12982216  0.41543564  0.12224759
   0.36151737  0.33474661  0.26074503
   0.09883258  0.16167024  0.49230758
   0.43391437  0.16265957  0.86035887
   0.10092821  0.40533071  0.62441694
   0.35225786  0.39610251  0.75635879
   0.09422205  0.67741473  0.00519311
   0.39961143  0.57726655  0.37349394
   0.05050868  0.88998506  0.15180365
   0.33155956  0.82819831  0.25223437
   0.16931941  0.66403353  0.50828968
   0.34670689  0.64821237  0.87414487
   0.07793359  0.91399311  0.62875619
   0.32424603  0.99122932  0.71684588
   0.64331616  0.16248769  1.00968099
   0.85011455  0.12618839  0.37153480
   0.58751836  0.42267099  0.12190042
   0.84961237  0.30476640  0.18423152
   0.61268724  0.19393273  0.50353299
   0.88791742  0.12802285  0.87184810
   0.56491100  0.45741030  0.62025975
   0.75155410  0.37548486  0.79461381
   0.60530641  0.67671497  0.00215343
   0.92301139  0.59827932  0.39134032
   0.57403719  0.91239830  0.13918162
   0.80395528  0.83959709  0.27876754
   0.66451544  0.64960474  0.46447607
   0.85690288  0.61416090  0.87680767
   0.59935422  0.93782170  0.63154804
   0.82763147  0.86917697  0.75629940
   0.06488835  0.06184589  0.15271943
   0.32777824  0.17256388  0.28315735
   0.12093769  0.31785682  0.02242363
   0.32719076  0.43211959  0.35431504
   0.50903522  0.38048286  0.22021628
   0.26917072  0.37855844  0.17246953
   0.25026947  0.11680262  0.45588549
   0.01394446  0.16057663  0.38633421
   0.02961437  0.05738342  0.56667068
   0.46591288  0.27778608  0.77609514
   0.11775216  0.31400806  0.52978027
   0.33691251  0.48956236  0.84857670
   0.42461926  0.49019406  0.67854558
   0.21173593  0.35882128  0.70467647
   0.31743539  0.23379618 -0.07648592
   0.05248458  0.14209976  0.88595157
   0.09149800  0.56930531  0.08858657
   0.39677554  0.67824784  0.27442032
   0.05141002  0.82506162  0.04947785
   0.35389742  0.93035864  0.33704495
   0.41359300  0.90171819  0.16291930
   0.17076206  0.83970470  0.22777445
   0.31926860  0.64402151  0.45820117
   0.06959513  0.67510340  0.41601019
   0.13643893  0.55332278  0.58316763
   0.30404487  0.75362075  0.79450891
   0.15644772  0.80061887  0.56562645
   0.38423147  1.02227276  0.81787227
   0.43504113  0.90912029  0.64307515
   0.16153694  0.94892769  0.72536882
   0.25117990  0.69055082 -0.03484614
   0.01337985  0.62761198  0.91348775
   0.60863449  0.06530206  0.09961532
   0.79245841  0.21280874  0.27775019
   0.57444907  0.30525302  0.04183331
   0.94724925  0.44425570  0.35677985
   0.00705190  0.35737827  0.19381331
   0.74235140  0.43299238  0.16720443
   0.77485215  0.19202381  0.46163376
   0.51930007  0.10990609  0.42718946
   0.60344451  0.10664541  0.60434695
   0.81831015  0.22019366  0.78164862
   0.55567519  0.33720623  0.54380870
   0.87515150  0.45939744  0.84045891
   0.94147325  0.39316221  0.65072999
   0.69463319  0.43355390  0.68979005
   0.80571178  0.18005968  0.96973581
   0.56584949  0.09733853  0.91951191
   0.53953306  0.56633150  0.07719194
   0.83073170  0.68716685  0.31561539
   0.61116074  0.80948126  0.05489496
   0.84260150  0.96171939  0.35050531
   0.90056604  0.86070885  0.19122864
   0.64841990  0.87045503  0.23569943
   0.81999166  0.59471367  0.47943717
   0.56608205  0.54403709  0.39821147
   0.60447949  0.60534646  0.57051412
   0.82277642  0.71293509  0.78981226
   0.61958572  0.80643741  0.42464240
   0.87578173  0.97974988  0.82820626
   0.92846238  0.85971182  0.66633397
   0.67750851  0.92349149  0.73200454
   0.75783358  0.63990677  0.97019719
   0.51646985  0.68704994  0.90560683
   0.67106018  0.84446914  0.57249821
   0.70101585  0.86195275  0.44122577
   0.86270446  0.21893069  0.10174228
   1.00328858  0.40360077  0.30569254
   0.30622185  0.11822816  0.65056204
   0.21613415  0.81028018  0.80535970
  -0.02224434  1.12357580  0.15895088
   0.20854094  1.06152607  0.01356679
   0.63063759  0.37070004  0.85082358
   0.86899387  0.44172604  0.61829126
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.717137    0.154373    0.044048
    -0.000000    9.857321    0.161015
    -0.000000    0.000000   14.153211
   Si   O    H 
    32    64    10
Direct configuration=  1158
   0.16963791  0.18927725 -0.03096277
   0.36837781  0.07807275  0.37512083
   0.12965225  0.41476505  0.12121652
   0.36042816  0.33387805  0.26072168
   0.09831654  0.16236088  0.49217750
   0.43396120  0.16109467  0.85970443
   0.10212323  0.40569387  0.62477727
   0.35201018  0.39569412  0.75637610
   0.09403686  0.67742015  0.00444778
   0.39911964  0.57602538  0.37406890
   0.04945297  0.89000293  0.15314114
   0.33011914  0.82787637  0.25186387
   0.16995355  0.66312843  0.50763179
   0.34572364  0.64829817  0.87491979
   0.07695250  0.91395444  0.62900325
   0.32300529  0.99154494  0.71691643
   0.64238019  0.16259975  1.00936757
   0.85106486  0.12599692  0.37098871
   0.58845576  0.42162872  0.12149029
   0.84951528  0.30486672  0.18427713
   0.61237496  0.19345123  0.50380361
   0.88659771  0.12770915  0.87244468
   0.56470118  0.45773244  0.62043558
   0.75247416  0.37418302  0.79455450
   0.60519417  0.67558053  0.00285552
   0.92184522  0.59742519  0.39007346
   0.57399684  0.91099680  0.13919832
   0.80427699  0.84061795  0.27888545
   0.66454586  0.65015507  0.46453264
   0.85684416  0.61359081  0.87648947
   0.60023271  0.93797492  0.63209543
   0.82731271  0.86845052  0.75687475
   0.06294358  0.06132726  0.15263690
   0.32662396  0.17416993  0.28449298
   0.12062234  0.31794166  0.02420264
   0.32709478  0.43291852  0.35247605
   0.50960977  0.37979339  0.21946342
   0.26998505  0.37811420  0.17100199
   0.25261449  0.11771859  0.45583150
   0.01381711  0.16118425  0.38432215
   0.02935068  0.05723329  0.56731036
   0.46594703  0.27776024  0.77482901
   0.11722457  0.31112218  0.52891747
   0.33522602  0.48944073  0.84812099
   0.42189250  0.48939397  0.67791990
   0.21083989  0.35995594  0.70420679
   0.31736888  0.23427191 -0.07523040
   0.05343825  0.14239211  0.88793624
   0.09171680  0.56976645  0.08849707
   0.39625388  0.67873259  0.27472299
   0.05121945  0.82612135  0.05002780
   0.35552022  0.93025497  0.33682982
   0.41362343  0.90167768  0.16493429
   0.17123433  0.83898718  0.22916102
   0.31926743  0.64179021  0.45762775
   0.06985083  0.67517973  0.41659100
   0.13680572  0.55460836  0.58272323
   0.30247228  0.75524285  0.79358176
   0.15527445  0.80228003  0.56516296
   0.38413723  1.02190023  0.81780223
   0.43535259  0.90894279  0.64418999
   0.16232073  0.94982570  0.72528707
   0.25047049  0.69064468 -0.03431069
   0.01352432  0.62739717  0.91257290
   0.60947820  0.06527333  0.09973659
   0.79418839  0.21346005  0.27751325
   0.57394796  0.30536886  0.04220236
   0.94606043  0.44477395  0.35762120
   0.00613208  0.35701640  0.19414277
   0.73976715  0.43243116  0.16792915
   0.77610817  0.19288815  0.46128360
   0.51891455  0.10999593  0.42832477
   0.60385375  0.10633982  0.60402603
   0.81831946  0.22013996  0.78208352
   0.55587635  0.33808774  0.54269625
   0.87498382  0.45988393  0.84063747
   0.93922396  0.39254278  0.65146170
   0.69390747  0.43300084  0.68879996
   0.80669503  0.18099171  0.96923896
   0.56565460  0.09746027  0.91984946
   0.54028736  0.56583214  0.07719825
   0.83088535  0.68686982  0.31543459
   0.61101215  0.80824475  0.05493514
   0.84291691  0.96152706  0.34962685
   0.90059933  0.85977924  0.19139428
   0.64886620  0.86987251  0.23526220
   0.82152416  0.59529686  0.47994567
   0.56509015  0.54327302  0.39833740
   0.60357108  0.60813794  0.57070801
   0.82277696  0.71376805  0.78968324
   0.62088544  0.80598884  0.42469947
   0.87617322  0.98002357  0.82691933
   0.93031039  0.85991581  0.66726505
   0.67649283  0.92523248  0.73271135
   0.75832994  0.63939252  0.96925877
   0.51818243  0.68708387  0.90630824
   0.66461262  0.84925757  0.57063587
   0.69831560  0.86457259  0.44456435
   0.86555629  0.21560414  0.10127606
   1.00820708  0.40818747  0.30677814
   0.31297531  0.11403719  0.65028042
   0.22032858  0.81159590  0.80855155
  -0.01983019  1.12253526  0.15514442
   0.20804327  1.05889910  0.01817069
   0.63103534  0.36836698  0.84933904
   0.87439717  0.43508967  0.62004199
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.717457    0.157304    0.042740
    -0.000000    9.856024    0.161099
    -0.000000    0.000000   14.154311
   Si   O    H 
    32    64    10
Direct configuration=  1159
   0.16931800  0.18720262 -0.03063422
   0.36976125  0.07776542  0.37541250
   0.12993369  0.41351251  0.12033983
   0.35919595  0.33347595  0.26052291
   0.09754747  0.16261914  0.49167404
   0.43405208  0.16010182  0.85882764
   0.10369708  0.40612459  0.62492375
   0.35095050  0.39492879  0.75618182
   0.09477621  0.67672731  0.00369041
   0.39890252  0.57493115  0.37419514
   0.04875479  0.89070978  0.15463341
   0.32907729  0.82775738  0.25145748
   0.17040723  0.66339764  0.50711604
   0.34502479  0.64857328  0.87600035
   0.07589736  0.91375380  0.62927152
   0.32204104  0.99236062  0.71665660
   0.64202899  0.16272593  1.00891517
   0.85192075  0.12583562  0.37027409
   0.58913495  0.42084692  0.12090280
   0.84926469  0.30530034  0.18470605
   0.61203999  0.19291376  0.50434632
   0.88585715  0.12753994  0.87250988
   0.56416690  0.45759410  0.62053456
   0.75322237  0.37265569  0.79433724
   0.60528460  0.67429900  0.00292059
   0.92141171  0.59704252  0.38863069
   0.57390289  0.90979464  0.13910199
   0.80413737  0.84201275  0.27905467
   0.66412343  0.64995162  0.46489812
   0.85768394  0.61272374  0.87646440
   0.60097163  0.93845102  0.63296408
   0.82704519  0.86829612  0.75757662
   0.06110644  0.06067730  0.15259338
   0.32552687  0.17493280  0.28609572
   0.12103481  0.31868224  0.02592228
   0.32699206  0.43303234  0.35039582
   0.50984425  0.37949409  0.21859158
   0.27045383  0.37683297  0.16955309
   0.25474082  0.11915794  0.45572309
   0.01375061  0.16183612  0.38324611
   0.02846289  0.05699812  0.56800499
   0.46557315  0.27721893  0.77399753
   0.11650703  0.30894010  0.52838148
   0.33366738  0.48916390  0.84744614
   0.41947241  0.48927089  0.67729369
   0.20961088  0.36067868  0.70402751
   0.31647248  0.23407452 -0.07435975
   0.05432419  0.14262297  0.88974809
   0.09236814  0.57011118  0.08918189
   0.39558148  0.67963151  0.27490743
   0.05177817  0.82675772  0.04966276
   0.35762156  0.92974010  0.33656947
   0.41262742  0.90206332  0.16652761
   0.17078058  0.83796019  0.23020065
   0.31939275  0.64068278  0.45751510
   0.06952882  0.67487391  0.41731829
   0.13737975  0.55530174  0.58202349
   0.30105875  0.75574611  0.79227873
   0.15401970  0.80363355  0.56429101
   0.38378201  1.02132954  0.81755956
   0.43612816  0.90888349  0.64518388
   0.16280739  0.95049312  0.72519359
   0.25065262  0.69027876 -0.03403669
   0.01371229  0.62777436  0.91187487
   0.61112761  0.06537765  0.09951217
   0.79564012  0.21481137  0.27724873
   0.57327937  0.30582069  0.04214472
   0.94503497  0.44562681  0.35843456
   0.00540708  0.35640886  0.19440004
   0.73847257  0.43165264  0.16853698
   0.77618986  0.19388242  0.46115431
   0.51882205  0.11053001  0.42921261
   0.60535324  0.10568392  0.60343140
   0.81809255  0.21959111  0.78322093
   0.55649315  0.33957820  0.54236437
   0.87487633  0.46025079  0.84097650
   0.93912655  0.39187084  0.65298764
   0.69353169  0.43336740  0.68793160
   0.80761436  0.18166190  0.96905938
   0.56519586  0.09747604  0.92002637
   0.54044708  0.56554851  0.07712473
   0.83094519  0.68629143  0.31535874
   0.61137310  0.80718819  0.05516714
   0.84283706  0.96094717  0.34917031
   0.90064415  0.85935460  0.19169022
   0.64969913  0.86901024  0.23504724
   0.82286048  0.59630919  0.48074171
   0.56481525  0.54348508  0.39889282
   0.60358007  0.61078622  0.57132235
   0.82313784  0.71419165  0.78976165
   0.62218177  0.80446616  0.42462941
   0.87649328  0.97996529  0.82567933
   0.93251691  0.85990830  0.66731991
   0.67551614  0.92688459  0.73301385
   0.75943495  0.63855573  0.96838887
   0.51871072  0.68718414  0.90675944
   0.65901546  0.85042322  0.56382900
   0.69264474  0.86827112  0.44791007
   0.86524899  0.21118925  0.10198086
   1.01140268  0.41492205  0.30962130
   0.32044853  0.10901500  0.65194743
   0.22546338  0.81087951  0.81266243
  -0.01470642  1.11867544  0.15122769
   0.20684172  1.05663528  0.02317669
   0.62730211  0.36803150  0.85165935
   0.86259275  0.43868474  0.61428772
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.717759    0.160117    0.042046
    -0.000000    9.855147    0.161231
    -0.000000    0.000000   14.155262
   Si   O    H 
    32    64    10
Direct configuration=  1160
   0.16929788  0.18504958 -0.03078241
   0.37083823  0.07783367  0.37581418
   0.12989516  0.41277784  0.11897486
   0.35772016  0.33288559  0.26012906
   0.09738081  0.16224428  0.49079768
   0.43412805  0.15868981  0.85792564
   0.10464922  0.40660821  0.62438417
   0.35032268  0.39544403  0.75610742
   0.09562243  0.67731540  0.00231129
   0.39850367  0.57350980  0.37434061
   0.04830380  0.89225310  0.15576154
   0.32920749  0.82747306  0.25118161
   0.17098612  0.66333728  0.50667889
   0.34467285  0.64895228  0.87735525
   0.07493865  0.91360504  0.62957303
   0.32075076  0.99363409  0.71606598
   0.64254768  0.16277782  1.00870569
   0.85299357  0.12542701  0.36889182
   0.58899186  0.41979463  0.12054856
   0.84845991  0.30545788  0.18581835
   0.61211477  0.19237885  0.50489503
   0.88510081  0.12721750  0.87221026
   0.56335841  0.45766053  0.62023444
   0.75317330  0.37069863  0.79436450
   0.60543559  0.67279794  0.00259502
   0.92112830  0.59677021  0.38738192
   0.57354584  0.90872095  0.13889512
   0.80428420  0.84360573  0.27858984
   0.66318400  0.64988394  0.46530412
   0.85839623  0.61176046  0.87644505
   0.60197257  0.93898175  0.63382689
   0.82598904  0.86898591  0.75775189
   0.06020840  0.05918529  0.15232106
   0.32520054  0.17526713  0.28735385
   0.12165711  0.31973542  0.02833336
   0.32730159  0.43259121  0.34844151
   0.51010609  0.37868731  0.21802643
   0.27060074  0.37540563  0.16772168
   0.25666994  0.11978693  0.45540989
   0.01417075  0.16184975  0.38240696
   0.02848830  0.05597242  0.56902906
   0.46437586  0.27576768  0.77310472
   0.11673783  0.30739523  0.52848706
   0.33135504  0.48968789  0.84697725
   0.41696006  0.48820853  0.67589937
   0.20851128  0.36066642  0.70404289
   0.31581542  0.23386857 -0.07435720
   0.05440677  0.14230695  0.89125889
   0.09341919  0.56989479  0.09030392
   0.39482672  0.68028494  0.27514107
   0.05216726  0.82649068  0.04924057
   0.35950678  0.92830565  0.33626018
   0.41169267  0.90305045  0.16775815
   0.16995119  0.83682260  0.23122161
   0.31820982  0.63938148  0.45812962
   0.06822463  0.67519585  0.41776832
   0.13801422  0.55543751  0.58206539
   0.29974651  0.75598781  0.79186515
   0.15272958  0.80483489  0.56324343
   0.38365994  1.02003572  0.81746091
   0.43616746  0.90844190  0.64593543
   0.16288451  0.95111100  0.72455580
   0.25160785  0.68960586 -0.03365316
   0.01360352  0.62899567  0.91182013
   0.61249770  0.06526113  0.09892205
   0.79679117  0.21705722  0.27655920
   0.57297357  0.30632108  0.04240477
   0.94431347  0.44579662  0.35909031
   0.00469970  0.35581277  0.19490515
   0.73771233  0.43178678  0.16891647
   0.77591996  0.19434407  0.46037111
   0.51864652  0.11069269  0.42990923
   0.60690185  0.10505006  0.60302606
   0.81865540  0.21894257  0.78500555
   0.55683350  0.34094744  0.54209602
   0.87432118  0.46089355  0.84088952
   0.93901232  0.39188115  0.65402148
   0.69337044  0.43331967  0.68717556
   0.80821779  0.18165732  0.96876414
   0.56485439  0.09804039  0.92011961
   0.53980718  0.56528086  0.07783371
   0.83068446  0.68576417  0.31526759
   0.61174698  0.80719891  0.05543192
   0.84284580  0.95997972  0.34906176
   0.90066499  0.85900604  0.19220576
   0.65100015  0.86814120  0.23503735
   0.82275137  0.59732228  0.48136913
   0.56454380  0.54459694  0.39942949
   0.60328877  0.61275197  0.57210955
   0.82240767  0.71456406  0.78956936
   0.62411218  0.80310336  0.42464671
   0.87648452  0.97940284  0.82518778
   0.93439527  0.86019293  0.66793184
   0.67470831  0.92842207  0.73362996
   0.76106363  0.63738348  0.96732042
   0.51845262  0.68713450  0.90678309
   0.65483856  0.85166589  0.56096969
   0.68136237  0.86904297  0.44856289
   0.86359845  0.21129056  0.10430342
   1.01327481  0.42505195  0.31410944
   0.32291455  0.11032818  0.65513708
   0.22629757  0.81358570  0.81910370
  -0.02204321  1.11850888  0.14608570
   0.20488300  1.05735389  0.02581011
   0.62419752  0.36848236  0.85511486
   0.85738135  0.43645918  0.61376589
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.718162    0.163225    0.041587
    -0.000000    9.854155    0.161819
    -0.000000    0.000000   14.156063
   Si   O    H 
    32    64    10
Direct configuration=  1161
   0.16952541  0.18346428 -0.03067827
   0.37222165  0.07786915  0.37623598
   0.12931878  0.41158839  0.11802171
   0.35650443  0.33177562  0.25961003
   0.09737097  0.16122400  0.48990342
   0.43374957  0.15767915  0.85770405
   0.10501342  0.40667129  0.62374298
   0.34947160  0.39577011  0.75603519
   0.09663039  0.67821436  0.00118826
   0.39883811  0.57238616  0.37431356
   0.04803614  0.89389069  0.15643241
   0.32918968  0.82671427  0.25068549
   0.17145707  0.66359705  0.50593300
   0.34507516  0.64944954  0.87877294
   0.07352862  0.91382977  0.62924219
   0.32010277  0.99447839  0.71510922
   0.64268636  0.16318455  1.00879002
   0.85347713  0.12532649  0.36715888
   0.58889063  0.41874731  0.11994743
   0.84729464  0.30640814  0.18644980
   0.61237242  0.19181446  0.50571138
   0.88460501  0.12696451  0.87172951
   0.56245904  0.45744109  0.61993731
   0.75208688  0.36914937  0.79425961
   0.60489142  0.67110720  0.00181202
   0.92060058  0.59689531  0.38644374
   0.57315713  0.90812926  0.13824589
   0.80467426  0.84459417  0.27829924
   0.66204050  0.64965952  0.46603384
   0.85914167  0.61142652  0.87667340
   0.60290412  0.93992839  0.63454881
   0.82522837  0.86955349  0.75798417
   0.05913915  0.05726198  0.15219605
   0.32404114  0.17583646  0.28843292
   0.12219304  0.32082171  0.03021130
   0.32680922  0.43238315  0.34704816
   0.51018141  0.37783472  0.21820376
   0.27115199  0.37427793  0.16682759
   0.25864645  0.12108139  0.45517785
   0.01451388  0.16126581  0.38230870
   0.02853505  0.05448073  0.57003429
   0.46310120  0.27461450  0.77203623
   0.11719027  0.30616324  0.52914570
   0.32941371  0.48971502  0.84651479
   0.41550843  0.48754776  0.67381119
   0.20634922  0.36061953  0.70408729
   0.31487311  0.23365134 -0.07467731
   0.05459943  0.14213147  0.89293378
   0.09459872  0.56879521  0.09072355
   0.39441267  0.68085086  0.27564272
   0.05272624  0.82577791  0.04911077
   0.36133362  0.92746112  0.33662653
   0.41033732  0.90369743  0.16855865
   0.16918188  0.83650254  0.23205436
   0.31661764  0.63936875  0.45924954
   0.06619112  0.67574644  0.41821859
   0.13886873  0.55534068  0.58217701
   0.29838345  0.75567796  0.79188369
   0.15211840  0.80571698  0.56268761
   0.38306063  1.01856116  0.81756477
   0.43559340  0.90811253  0.64699625
   0.16255107  0.95109051  0.72374703
   0.25241247  0.68939191 -0.03350488
   0.01401065  0.62999873  0.91154456
   0.61429270  0.06530868  0.09876637
   0.79854607  0.21924294  0.27616998
   0.57262696  0.30631224  0.04279652
   0.94292036  0.44559980  0.35937527
   0.00400045  0.35581372  0.19564965
   0.73805844  0.43174896  0.16929705
   0.77585840  0.19453552  0.45984580
   0.51907694  0.11195553  0.43011315
   0.60780844  0.10446137  0.60234145
   0.81934835  0.21834520  0.78671001
   0.55731339  0.34211477  0.54183298
   0.87346464  0.46087063  0.84071327
   0.93924380  0.39183843  0.65476491
   0.69345450  0.43264806  0.68694101
   0.80866702  0.18194086  0.96889725
   0.56510104  0.09906719  0.92009367
   0.53980669  0.56454404  0.07869083
   0.83049723  0.68538826  0.31546348
   0.61187002  0.80821574  0.05590267
   0.84260085  0.95929378  0.34947793
   0.90054054  0.85918349  0.19247984
   0.65223426  0.86836843  0.23464046
   0.82207481  0.59795805  0.48198645
   0.56366785  0.54601817  0.40020553
   0.60284072  0.61499989  0.57287559
   0.82152776  0.71440823  0.78960182
   0.62542474  0.80142419  0.42461175
   0.87650030  0.97979654  0.82546870
   0.93610964  0.86069456  0.66809851
   0.67464374  0.92898795  0.73438030
   0.76245242  0.63665444  0.96645307
   0.51807775  0.68695994  0.90656940
   0.65640842  0.85121992  0.56107745
   0.67680183  0.87654180  0.45029803
   0.85831670  0.20983270  0.10656290
   1.01863561  0.43015360  0.31385745
   0.32078979  0.11455397  0.65601943
   0.22968798  0.81265954  0.82578229
  -0.02837153  1.11247668  0.14035897
   0.19956869  1.06008933  0.02841371
   0.62583254  0.36779324  0.85861552
   0.86115267  0.42848522  0.61497729
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.718429    0.166337    0.041424
    -0.000000    9.853571    0.162497
    -0.000000    0.000000   14.156951
   Si   O    H 
    32    64    10
Direct configuration=  1162
   0.16996643  0.18176459 -0.03041315
   0.37326396  0.07800926  0.37619281
   0.12876915  0.41019552  0.11730982
   0.35617778  0.33088004  0.25921752
   0.09755495  0.15968900  0.48934406
   0.43394892  0.15669162  0.85763497
   0.10541145  0.40661737  0.62308732
   0.34840507  0.39550937  0.75615234
   0.09812871  0.67948558  0.00039457
   0.39959420  0.57164944  0.37433133
   0.04775679  0.89485264  0.15679156
   0.32997055  0.82554849  0.24999253
   0.17144373  0.66389253  0.50488452
   0.34542221  0.65069233  0.88002858
   0.07195642  0.91430600  0.62922739
   0.31986114  0.99534726  0.71393844
   0.64278418  0.16360399  1.00889528
   0.85333879  0.12533150  0.36567675
   0.58849472  0.41766174  0.11950818
   0.84642223  0.30717783  0.18724644
   0.61218557  0.19117195  0.50578259
   0.88478691  0.12661374  0.87123567
   0.56173143  0.45745543  0.62015437
   0.75048254  0.36747136  0.79404637
   0.60449068  0.67006690  0.00109246
   0.91998417  0.59691703  0.38631430
   0.57254674  0.90769318  0.13749832
   0.80403551  0.84534173  0.27823536
   0.66091421  0.64986223  0.46674757
   0.85986129  0.61187235  0.87675999
   0.60345916  0.94093696  0.63503953
   0.82406485  0.86975915  0.75808809
   0.05727385  0.05554287  0.15177862
   0.32222158  0.17656582  0.28897919
   0.12224231  0.32109989  0.03214714
   0.32575811  0.43214138  0.34566975
   0.50939165  0.37690602  0.21858473
   0.27038011  0.37314157  0.16605363
   0.25942262  0.12194809  0.45504521
   0.01583090  0.16000900  0.38252375
   0.02868895  0.05354274  0.57107647
   0.46169173  0.27304971  0.77108432
   0.11705561  0.30601802  0.53044655
   0.32706709  0.49005357  0.84717219
   0.41495405  0.48716779  0.67169781
   0.20508711  0.35938299  0.70396441
   0.31431691  0.23363291 -0.07550712
   0.05512892  0.14259007  0.89430799
   0.09586716  0.56774401  0.09125885
   0.39477401  0.68114751  0.27631944
   0.05342486  0.82493610  0.04868649
   0.36252158  0.92722587  0.33712498
   0.40987361  0.90416880  0.16911907
   0.16791607  0.83624793  0.23255637
   0.31443973  0.63963383  0.46063020
   0.06362266  0.67620755  0.41796953
   0.13976659  0.55434132  0.58254673
   0.29748854  0.75458150  0.79222711
   0.15209503  0.80719448  0.56208632
   0.38298334  1.01703826  0.81770880
   0.43511887  0.90717038  0.64797094
   0.16248934  0.95092011  0.72317531
   0.25260922  0.68988479 -0.03346778
   0.01422183  0.63204053  0.91190520
   0.61625560  0.06508292  0.09848759
   0.79976937  0.22057576  0.27639607
   0.57210239  0.30627274  0.04249826
   0.94237298  0.44482257  0.35901873
   0.00377829  0.35576377  0.19658893
   0.73821380  0.43152601  0.16956150
   0.77531205  0.19461132  0.45972821
   0.51994068  0.11388369  0.43007146
   0.60812588  0.10325470  0.60251818
   0.81961789  0.21774891  0.78743232
   0.55903735  0.34292088  0.54134857
   0.87216493  0.46060670  0.84050718
   0.94025740  0.39201070  0.65562015
   0.69352324  0.43190120  0.68686893
   0.80850100  0.18187658  0.96931742
   0.56530103  0.10049865  0.91992204
   0.53982176  0.56424526  0.07944884
   0.83000411  0.68571998  0.31591405
   0.61202290  0.80881806  0.05638925
   0.84210804  0.95964329  0.35035802
   0.90030648  0.85912513  0.19204400
   0.65293923  0.86946224  0.23397118
   0.82090687  0.59907219  0.48212166
   0.56304882  0.54740843  0.40124979
   0.60148538  0.61740040  0.57315119
   0.82095631  0.71368896  0.78974900
   0.62611549  0.80079514  0.42473023
   0.87679744  0.97956581  0.82604385
   0.93649880  0.86057571  0.66871406
   0.67450136  0.92903645  0.73527772
   0.76319062  0.63572145  0.96577927
   0.51634903  0.68673569  0.90606958
   0.65925931  0.85433101  0.56388477
   0.67477409  0.88311734  0.44949606
   0.85402174  0.21075890  0.10894455
   1.01767839  0.43326087  0.31197716
   0.31986393  0.12413963  0.65484072
   0.23711688  0.80767325  0.82968172
  -0.02884630  1.10510852  0.13810952
   0.19897747  1.06390127  0.02917310
   0.63221953  0.36907612  0.86258637
   0.87075784  0.41850420  0.61737065
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.718881    0.169247    0.041333
    -0.000000    9.853234    0.163019
    -0.000000    0.000000   14.157771
   Si   O    H 
    32    64    10
Direct configuration=  1163
   0.16957941  0.18079844 -0.02988659
   0.37437482  0.07795205  0.37676338
   0.12765151  0.40899082  0.11723474
   0.35617200  0.33025750  0.25857407
   0.09748611  0.15868887  0.48856294
   0.43405705  0.15696334  0.85764901
   0.10442409  0.40703351  0.62281151
   0.34809300  0.39561127  0.75636943
   0.09869332  0.68095925 -0.00039916
   0.40067938  0.57142752  0.37412288
   0.04791141  0.89547179  0.15685236
   0.33089458  0.82439235  0.24969941
   0.17102353  0.66440414  0.50352817
   0.34649054  0.65231471  0.88053672
   0.07112476  0.91443485  0.62923418
   0.31944594  0.99604718  0.71268899
   0.64311465  0.16398295  1.00897054
   0.85342285  0.12514501  0.36452091
   0.58738767  0.41673921  0.11945019
   0.84600120  0.30829922  0.18796899
   0.61248669  0.18999723  0.50614138
   0.88512360  0.12635736  0.87121727
   0.56117483  0.45775404  0.62059249
   0.74916075  0.36679342  0.79333867
   0.60512280  0.66891804  0.00081493
   0.91949754  0.59675591  0.38653388
   0.57244292  0.90750844  0.13672225
   0.80336412  0.84554321  0.27835515
   0.66017872  0.64907412  0.46747146
   0.86063697  0.61263542  0.87660343
   0.60365956  0.94178598  0.63547232
   0.82359769  0.86955886  0.75787480
   0.05509961  0.05382056  0.15180318
   0.32118022  0.17716355  0.28934463
   0.12239579  0.32009094  0.03300312
   0.32466811  0.43200927  0.34387961
   0.50845032  0.37657116  0.21892259
   0.26907639  0.37255301  0.16534791
   0.25955300  0.12286197  0.45554030
   0.01752146  0.15918191  0.38284115
   0.02996127  0.05427921  0.57180284
   0.45954253  0.27114427  0.77017224
   0.11623248  0.30650360  0.53182895
   0.32481656  0.49054053  0.84822144
   0.41414976  0.48695007  0.66971115
   0.20449082  0.35873449  0.70442237
   0.31364737  0.23382512 -0.07707522
   0.05447700  0.14334433  0.89520148
   0.09685166  0.56710502  0.09173129
   0.39535390  0.68019298  0.27742043
   0.05394678  0.82350391  0.04913964
   0.36343689  0.92670414  0.33782614
   0.40943019  0.90494721  0.16894851
   0.16600736  0.83639976  0.23285874
   0.31239987  0.64049440  0.46132415
   0.06119839  0.67651595  0.41718638
   0.14124763  0.55278874  0.58309215
   0.29635804  0.75318211  0.79253488
   0.15238935  0.80792842  0.56173855
   0.38248863  1.01580440  0.81737407
   0.43554222  0.90670190  0.64922635
   0.16281527  0.95074090  0.72250813
   0.25237859  0.69030614 -0.03381236
   0.01464486  0.63453047  0.91282228
   0.61820734  0.06443037  0.09871985
   0.80115540  0.22135060  0.27703095
   0.57174048  0.30594751  0.04174310
   0.94274693  0.44406029  0.35845910
   0.00387818  0.35593948  0.19768713
   0.73753835  0.43141923  0.16968707
   0.77435225  0.19404639  0.45941728
   0.52096487  0.11500406  0.42992897
   0.60892259  0.10242464  0.60260423
   0.81957827  0.21748167  0.78814059
   0.56106091  0.34393532  0.54070476
   0.87078284  0.46058941  0.84020199
   0.94177041  0.39198482  0.65675650
   0.69335879  0.43136478  0.68740856
   0.80753164  0.18206201  0.96972422
   0.56575459  0.10206188  0.91986046
   0.53995356  0.56391342  0.08016099
   0.82930034  0.68692334  0.31605946
   0.61229455  0.80990220  0.05675315
   0.84149296  0.96075275  0.35140582
   0.89975281  0.85854529  0.19149631
   0.65332400  0.87100814  0.23344350
   0.81973203  0.60026942  0.48319261
   0.56280353  0.54841056  0.40214238
   0.60040669  0.61917757  0.57271404
   0.82042507  0.71332257  0.79056598
   0.62659714  0.80010567  0.42479791
   0.87737698  0.97915537  0.82738747
   0.93652925  0.85941666  0.66974984
   0.67498665  0.92876347  0.73652362
   0.76424864  0.63546293  0.96582728
   0.51425029  0.68606610  0.90541810
   0.66686352  0.85183629  0.57008579
   0.67163986  0.87778767  0.44746998
   0.85331354  0.21360963  0.10977526
   1.01506335  0.43246843  0.31084453
   0.31680460  0.13641770  0.65391846
   0.24017330  0.81118657  0.83522600
  -0.03240189  1.10100608  0.13440083
   0.20003265  1.06980473  0.03034309
   0.64076549  0.37192434  0.86497436
   0.86899822  0.41568154  0.61501727
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.719327    0.171743    0.041638
    -0.000000    9.852798    0.163635
    -0.000000    0.000000   14.158898
   Si   O    H 
    32    64    10
Direct configuration=  1164
   0.16894037  0.17936480 -0.02935760
   0.37528975  0.07849577  0.37781574
   0.12656045  0.40837778  0.11753418
   0.35625791  0.32972810  0.25817125
   0.09799887  0.15789367  0.48776179
   0.43416707  0.15716318  0.85778303
   0.10308377  0.40790319  0.62223675
   0.34803058  0.39621316  0.75644446
   0.09929689  0.68229482 -0.00055720
   0.40165653  0.57135289  0.37350009
   0.04897085  0.89602597  0.15625344
   0.33155073  0.82372802  0.24958792
   0.17018660  0.66554544  0.50252458
   0.34832038  0.65353798  0.88043095
   0.07073029  0.91401289  0.62882863
   0.32012930  0.99654009  0.71096105
   0.64310054  0.16487508  1.00891378
   0.85346782  0.12503779  0.36342249
   0.58668069  0.41589581  0.11972940
   0.84580533  0.30910721  0.18844514
   0.61264929  0.18846762  0.50740342
   0.88593208  0.12647641  0.87112100
   0.56089499  0.45872020  0.62114744
   0.74771852  0.36628500  0.79241787
   0.60549019  0.66776093  0.00068186
   0.91930760  0.59677540  0.38705520
   0.57254763  0.90808799  0.13625393
   0.80316793  0.84551927  0.27836762
   0.65892809  0.64878217  0.46836469
   0.86210936  0.61340771  0.87671238
   0.60356720  0.94267619  0.63622850
   0.82339876  0.86932358  0.75749774
   0.05250350  0.05253213  0.15160582
   0.32025626  0.17780180  0.28906641
   0.12197632  0.31836343  0.03293550
   0.32301725  0.43253835  0.34257161
   0.50684803  0.37617073  0.21886337
   0.26744919  0.37203993  0.16483645
   0.25968562  0.12375612  0.45618200
   0.01885085  0.15847707  0.38376164
   0.03196344  0.05524498  0.57216183
   0.45772616  0.26891499  0.76937573
   0.11538146  0.30698057  0.53282615
   0.32273213  0.49162809  0.84956510
   0.41322410  0.48675455  0.66759177
   0.20406776  0.35705993  0.70463093
   0.31281446  0.23395717 -0.07861383
   0.05350625  0.14387540  0.89636326
   0.09771480  0.56693177  0.09211497
   0.39457744  0.67829382  0.27891882
   0.05383715  0.82306022  0.04991595
   0.36440726  0.92562973  0.33910686
   0.40869874  0.90544545  0.16796170
   0.16404373  0.83677585  0.23319649
   0.31124847  0.64063669  0.46148114
   0.05910098  0.67613071  0.41622573
   0.14229760  0.55116885  0.58362905
   0.29504402  0.75195541  0.79298959
   0.15192599  0.80878938  0.56104004
   0.38208639  1.01421324  0.81649409
   0.43641055  0.90692083  0.65095548
   0.16288008  0.95009960  0.72189460
   0.25273882  0.69027009 -0.03363170
   0.01466782  0.63669255  0.91364155
   0.61977473  0.06386811  0.09884886
   0.80294260  0.22130975  0.27766402
   0.57133196  0.30498759  0.04057625
   0.94286181  0.44343260  0.35721767
   0.00451865  0.35646284  0.19861625
   0.73697098  0.43159068  0.16949630
   0.77339253  0.19372116  0.45869833
   0.52208201  0.11594410  0.42966659
   0.60929812  0.10080750  0.60293612
   0.82014642  0.21794711  0.78888612
   0.56258774  0.34415704  0.53996581
   0.86974778  0.45939063  0.83979689
   0.94389252  0.39261719  0.65784312
   0.69279666  0.42990777  0.68798781
   0.80673584  0.18170595  0.96988667
   0.56668871  0.10377807  0.91944002
   0.53953344  0.56345600  0.07999388
   0.82861170  0.68845677  0.31560711
   0.61292896  0.81177516  0.05647341
   0.84129535  0.96245096  0.35221117
   0.89889380  0.85778148  0.19088128
   0.65349915  0.87256736  0.23284870
   0.81832849  0.60197599  0.48438012
   0.56209360  0.54909489  0.40215435
   0.59915528  0.62004284  0.57265447
   0.81966395  0.71353140  0.79168396
   0.62747145  0.79994467  0.42493202
   0.87774514  0.97775828  0.82821354
   0.93458094  0.85876249  0.67113569
   0.67523500  0.92846899  0.73766715
   0.76523922  0.63612184  0.96633861
   0.51134973  0.68519922  0.90458797
   0.67716922  0.85063684  0.57521635
   0.66961402  0.87194791  0.44701608
   0.85268132  0.21520691  0.10972518
   1.00844892  0.43099125  0.30849063
   0.31479623  0.14038179  0.65593254
   0.23839240  0.81423798  0.84063034
  -0.03541144  1.09620919  0.13027267
   0.20626508  1.07264413  0.03059365
   0.64758793  0.37498189  0.86755679
   0.86474068  0.41583905  0.61174877
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.720149    0.174250    0.041937
    -0.000000    9.852604    0.164711
    -0.000000    0.000000   14.159926
   Si   O    H 
    32    64    10
Direct configuration=  1165
   0.16883008  0.17850523 -0.02863609
   0.37578342  0.07863158  0.37880291
   0.12525738  0.40782880  0.11794152
   0.35625028  0.32956589  0.25772442
   0.09920189  0.15679333  0.48713428
   0.43440030  0.15811707  0.85774867
   0.10180197  0.40862944  0.62171096
   0.34749953  0.39652407  0.75649868
   0.09975602  0.68374050 -0.00060798
   0.40237333  0.57111485  0.37242810
   0.05003737  0.89622297  0.15528773
   0.33179742  0.82313129  0.24996149
   0.16871667  0.66663421  0.50210148
   0.35048722  0.65469654  0.87967677
   0.07074292  0.91367251  0.62800922
   0.32110471  0.99738133  0.70971330
   0.64347649  0.16553498  1.00872148
   0.85333769  0.12540456  0.36279361
   0.58626163  0.41485043  0.12016375
   0.84546377  0.30997802  0.18892337
   0.61309735  0.18806614  0.50824130
   0.88653210  0.12672733  0.87120669
   0.56094866  0.46047483  0.62102231
   0.74709335  0.36653000  0.79139092
   0.60519668  0.66690748  0.00054399
   0.91929642  0.59666775  0.38795367
   0.57181301  0.90909301  0.13536501
   0.80218005  0.84528721  0.27861993
   0.65833837  0.64845283  0.46886647
   0.86398137  0.61377855  0.87653563
   0.60310821  0.94330203  0.63672194
   0.82352186  0.86899884  0.75705940
   0.04991821  0.05163881  0.15130879
   0.31925647  0.17810756  0.28802934
   0.12069581  0.31541446  0.03198182
   0.32182927  0.43360437  0.34160239
   0.50531763  0.37633819  0.21886607
   0.26616696  0.37151804  0.16360253
   0.25911967  0.12462000  0.45737713
   0.01837683  0.15797887  0.38501246
   0.03380564  0.05664069  0.57231695
   0.45645249  0.26773146  0.76899645
   0.11365039  0.30787481  0.53384038
   0.32097503  0.49331308  0.85091788
   0.41312267  0.48594195  0.66607148
   0.20472634  0.35523009  0.70523455
   0.31275669  0.23385674 -0.07999502
   0.05174348  0.14413714  0.89651976
   0.09891048  0.56640853  0.09209586
   0.39433283  0.67664795  0.28047613
   0.05377124  0.82366067  0.05108684
   0.36546889  0.92626427  0.34034233
   0.40781596  0.90552376  0.16643191
   0.16234818  0.83716415  0.23306491
   0.31137017  0.64101600  0.46077519
   0.05734209  0.67614751  0.41519154
   0.14252449  0.54930328  0.58380881
   0.29375230  0.75171123  0.79387569
   0.15193236  0.80916947  0.56014454
   0.38130441  1.01310807  0.81548053
   0.43735070  0.90670580  0.65326768
   0.16424033  0.94934359  0.72121272
   0.25383520  0.68965769 -0.03286916
   0.01423044  0.63926634  0.91418071
   0.62156896  0.06281106  0.09854535
   0.80498126  0.22092352  0.27846507
   0.57089134  0.30397711  0.04042061
   0.94213349  0.44280063  0.35577035
   0.00554960  0.35689791  0.19940751
   0.73654474  0.43102804  0.16946131
   0.77178779  0.19290172  0.45829184
   0.52331758  0.11623022  0.42920008
   0.61040074  0.09873778  0.60355204
   0.82128382  0.21849927  0.78914144
   0.56496789  0.34360723  0.53904816
   0.86858863  0.45854298  0.83951825
   0.94578737  0.39397634  0.65854150
   0.69197300  0.42845510  0.68892998
   0.80573049  0.18147810  0.96945375
   0.56683651  0.10532594  0.91860738
   0.53991714  0.56378049  0.07965340
   0.82851632  0.69011664  0.31572367
   0.61350020  0.81328416  0.05599016
   0.84111294  0.96435041  0.35279391
   0.89812546  0.85661690  0.18964954
   0.65357949  0.87406200  0.23258628
   0.81750817  0.60270675  0.48521905
   0.56098843  0.54975416  0.40240004
   0.59714663  0.62033689  0.57270685
   0.81880387  0.71435254  0.79244500
   0.62747043  0.79871149  0.42455479
   0.87791236  0.97577952  0.82981997
   0.93172916  0.85886331  0.67215546
   0.67543505  0.92832305  0.73901116
   0.76609880  0.63606056  0.96662569
   0.50898404  0.68430654  0.90387607
   0.68786599  0.85070948  0.57745220
   0.67488535  0.88326506  0.45057032
   0.85024255  0.21680486  0.11280458
   1.00841998  0.42520882  0.30176024
   0.31285273  0.13627378  0.65936934
   0.24128297  0.81226995  0.83926564
  -0.03376349  1.09032456  0.12604245
   0.21612835  1.06805006  0.03321718
   0.65007290  0.37712646  0.86974350
   0.86699949  0.41153315  0.61242797
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.721028    0.177059    0.042057
    -0.000000    9.852569    0.166102
    -0.000000    0.000000   14.160491
   Si   O    H 
    32    64    10
Direct configuration=  1166
   0.16875826  0.17732679 -0.02824636
   0.37557483  0.07886638  0.37986089
   0.12392747  0.40760278  0.11845683
   0.35593431  0.33037676  0.25701066
   0.10070271  0.15631587  0.48629329
   0.43467975  0.15884953  0.85801917
   0.10136455  0.40912541  0.62135043
   0.34738468  0.39655956  0.75661990
   0.10033410  0.68480704  0.00005276
   0.40342087  0.57153126  0.37143438
   0.05089940  0.89599505  0.15431480
   0.33177672  0.82241682  0.25002326
   0.16723357  0.66838363  0.50170150
   0.35230791  0.65558076  0.87875302
   0.07071165  0.91286000  0.62692427
   0.32203558  0.99811473  0.70868353
   0.64411185  0.16569645  1.00837772
   0.85348258  0.12543180  0.36245392
   0.58513849  0.41363663  0.12052601
   0.84533749  0.31081988  0.18958905
   0.61403860  0.18833536  0.50882115
   0.88743345  0.12722032  0.87137082
   0.56140348  0.46257781  0.62047818
   0.74684933  0.36626412  0.79024604
   0.60484551  0.66590017  0.00048396
   0.91940684  0.59706360  0.38874783
   0.57115422  0.91038739  0.13455393
   0.80128557  0.84556550  0.27923064
   0.65750811  0.64771728  0.46938335
   0.86520659  0.61393434  0.87635803
   0.60255544  0.94330835  0.63752563
   0.82413975  0.86867876  0.75657688
   0.04793366  0.05061849  0.15118137
   0.31843591  0.17762055  0.28748621
   0.11912051  0.31244870  0.03024416
   0.32078536  0.43490344  0.34094887
   0.50439530  0.37678501  0.21919511
   0.26549599  0.37101862  0.16280129
   0.25870156  0.12533776  0.45901729
   0.01695443  0.15757422  0.38560893
   0.03534268  0.05861321  0.57195458
   0.45547518  0.26613304  0.76853672
   0.11268118  0.30817733  0.53426688
   0.31975203  0.49485166  0.85221708
   0.41293864  0.48570797  0.66488431
   0.20501382  0.35371115  0.70592937
   0.31253413  0.23318003 -0.08117771
   0.04933654  0.14476606  0.89637750
   0.10027177  0.56650394  0.09135510
   0.39446717  0.67446033  0.28174963
   0.05300548  0.82409893  0.05212362
   0.36644238  0.92676088  0.34135337
   0.40778452  0.90509691  0.16575589
   0.16044338  0.83768054  0.23218160
   0.31267364  0.64081441  0.45933744
   0.05631181  0.67588236  0.41400652
   0.14249066  0.54799461  0.58353989
   0.29234536  0.75133319  0.79476167
   0.15219533  0.80941629  0.55962491
   0.38132916  1.01181461  0.81472289
   0.43894762  0.90717941  0.65453861
   0.16456142  0.94874784  0.72033318
   0.25611989  0.68976683 -0.03243037
   0.01382401  0.64205342  0.91393269
   0.62262781  0.06157287  0.09883205
   0.80693422  0.22032095  0.27876867
   0.57064220  0.30347066  0.04006850
   0.94100814  0.44220206  0.35424539
   0.00676599  0.35763464  0.19984318
   0.73652791  0.43010775  0.16934119
   0.77024771  0.19263726  0.45768316
   0.52441830  0.11629561  0.42878297
   0.61150161  0.09659090  0.60394365
   0.82220234  0.21924313  0.78945918
   0.56672699  0.34357930  0.53833467
   0.86693557  0.45803975  0.83931046
   0.94732630  0.39604291  0.65954635
   0.69125406  0.42739121  0.68993282
   0.80494391  0.18044412  0.96911969
   0.56598034  0.10680520  0.91774933
   0.53964107  0.56445995  0.07912568
   0.82872349  0.69149340  0.31571638
   0.61437468  0.81382859  0.05497368
   0.84112080  0.96555777  0.35351187
   0.89904209  0.85514160  0.18851891
   0.65325946  0.87511404  0.23235011
   0.81664912  0.60310220  0.48529817
   0.56002536  0.55119172  0.40289931
   0.59487572  0.62070289  0.57342185
   0.81794392  0.71455691  0.79325789
   0.62691154  0.79796072  0.42469567
   0.87878065  0.97396076  0.83188910
   0.92941483  0.85882476  0.67268434
   0.67565974  0.92836766  0.74027998
   0.76740285  0.63548033  0.96715148
   0.50760022  0.68390510  0.90347020
   0.69397816  0.85146443  0.57793253
   0.67597147  0.88233749  0.45415258
   0.84673871  0.21642470  0.11423667
   1.00332639  0.41835946  0.29599828
   0.31233162  0.12572634  0.66336906
   0.24191832  0.80919905  0.83465048
  -0.03903595  1.08712218  0.12154353
   0.22331942  1.06244904  0.03429624
   0.65015841  0.38048634  0.87302461
   0.87565570  0.40522614  0.61679239
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.721750    0.179679    0.042415
    -0.000000    9.852627    0.167615
    -0.000000    0.000000   14.160871
   Si   O    H 
    32    64    10
Direct configuration=  1167
   0.16894777  0.17601148 -0.02745468
   0.37595059  0.07911229  0.38100515
   0.12170760  0.40821483  0.11939673
   0.35599775  0.33043003  0.25619400
   0.10163219  0.15565773  0.48545624
   0.43474713  0.15957765  0.85804795
   0.10170521  0.40842683  0.62125248
   0.34686045  0.39732361  0.75689794
   0.10073761  0.68575811  0.00106482
   0.40342364  0.57215405  0.37087669
   0.05194628  0.89515485  0.15378070
   0.33109713  0.82176841  0.25032720
   0.16623864  0.67003211  0.50148277
   0.35402468  0.65592617  0.87763783
   0.07033953  0.91270080  0.62611677
   0.32303014  0.99883182  0.70752474
   0.64458203  0.16563209  1.00790021
   0.85364133  0.12527668  0.36255327
   0.58419118  0.41263504  0.12061951
   0.84539419  0.31150233  0.19009457
   0.61479204  0.18889270  0.50907178
   0.88827568  0.12824391  0.87165564
   0.56175758  0.46446478  0.61966313
   0.74655668  0.36589757  0.78931074
   0.60469250  0.66515308  0.00033751
   0.91946302  0.59646691  0.38962322
   0.57081260  0.91172216  0.13403071
   0.80036552  0.84595973  0.27983867
   0.65665081  0.64741810  0.47010871
   0.86651833  0.61430548  0.87617724
   0.60188140  0.94305770  0.63826246
   0.82463646  0.86785068  0.75638496
   0.04541512  0.05069090  0.15096455
   0.31856307  0.17709707  0.28701698
   0.11719849  0.30925687  0.02920807
   0.31931231  0.43534793  0.34057386
   0.50449646  0.37809501  0.21946896
   0.26513943  0.37060923  0.16221474
   0.25915530  0.12686014  0.46009015
   0.01576096  0.15782461  0.38584172
   0.03650243  0.05998305  0.57153603
   0.45537027  0.26475265  0.76849219
   0.11199041  0.30782867  0.53403126
   0.31902604  0.49676950  0.85311247
   0.41261922  0.48533076  0.66410203
   0.20528563  0.35253558  0.70669608
   0.31241321  0.23184134 -0.08174562
   0.04712494  0.14553118  0.89625081
   0.10127072  0.56677047  0.09049672
   0.39536738  0.67238224  0.28267942
   0.05185814  0.82401588  0.05245196
   0.36725733  0.92692593  0.34208564
   0.40768925  0.90506129  0.16488464
   0.16010187  0.83772174  0.23156577
   0.31459875  0.64030193  0.45718220
   0.05528887  0.67650214  0.41309291
   0.14288326  0.54758364  0.58323754
   0.29070184  0.75009650  0.79541089
   0.15266139  0.80986556  0.55976289
   0.38179447  1.01078204  0.81416618
   0.44118377  0.90751099  0.65552803
   0.16408595  0.94880244  0.71981005
   0.25799409  0.69003447 -0.03159379
   0.01314739  0.64445361  0.91340309
   0.62369551  0.06088679  0.09919093
   0.80837216  0.21984701  0.27904759
   0.57026141  0.30239341  0.03945884
   0.94024868  0.44198945  0.35301180
   0.00812043  0.35771715  0.19959419
   0.73650740  0.42923977  0.16888532
   0.76900950  0.19397343  0.45755370
   0.52535139  0.11638221  0.42858098
   0.61217264  0.09512905  0.60382927
   0.82271656  0.22104758  0.78938269
   0.56797130  0.34407501  0.53781471
   0.86499534  0.45806468  0.83872315
   0.94915548  0.39803525  0.66097003
   0.69037691  0.42617954  0.69104722
   0.80510149  0.17868119  0.96850715
   0.56470364  0.10792056  0.91699550
   0.54046929  0.56506475  0.07863204
   0.83001525  0.69322591  0.31545754
   0.61592870  0.81403041  0.05352364
   0.84096660  0.96682774  0.35458583
   0.89978745  0.85313489  0.18711569
   0.65232828  0.87570631  0.23183090
   0.81630536  0.60351636  0.48533608
   0.55955231  0.55307695  0.40321589
   0.59205405  0.62080332  0.57419581
   0.81684644  0.71457449  0.79402428
   0.62644197  0.79764961  0.42502290
   0.88012919  0.97242084  0.83413097
   0.92736447  0.85897638  0.67241605
   0.67593026  0.92967233  0.74090539
   0.76862081  0.63442982  0.96780827
   0.50728594  0.68309777  0.90317319
   0.69500228  0.85035554  0.57854340
   0.67079912  0.86988478  0.45557927
   0.84294900  0.21607639  0.11328707
   0.99243280  0.41041078  0.29399508
   0.31168975  0.11956820  0.66179808
   0.23557386  0.81380311  0.83200184
  -0.04110592  1.08304171  0.12136449
   0.23053206  1.05979954  0.03346809
   0.64982685  0.38129828  0.87398165
   0.87896022  0.39987592  0.61629458
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.722318    0.182448    0.042712
    -0.000000    9.852733    0.168832
    -0.000000    0.000000   14.160922
   Si   O    H 
    32    64    10
Direct configuration=  1168
   0.16923796  0.17488469 -0.02675958
   0.37645597  0.07961500  0.38178835
   0.11957822  0.40875994  0.11998958
   0.35557484  0.33082840  0.25529425
   0.10264935  0.15557895  0.48528588
   0.43482008  0.15964814  0.85817324
   0.10132266  0.40703962  0.62130216
   0.34614273  0.39802383  0.75732822
   0.10103701  0.68665260  0.00214640
   0.40291170  0.57276569  0.37096346
   0.05246717  0.89439312  0.15353752
   0.33040425  0.82140422  0.25098311
   0.16538742  0.67126715  0.50185603
   0.35544091  0.65595849  0.87664802
   0.06969227  0.91272256  0.62563865
   0.32365020  0.99936950  0.70695468
   0.64517183  0.16541856  1.00728498
   0.85342129  0.12537153  0.36314701
   0.58311462  0.41177776  0.12034517
   0.84539168  0.31205424  0.19037854
   0.61538512  0.18948749  0.50929376
   0.88948264  0.12926391  0.87219531
   0.56215965  0.46639801  0.61858550
   0.74575577  0.36577350  0.78894218
   0.60524572  0.66441383 -0.00003140
   0.91931218  0.59574747  0.39039862
   0.57013068  0.91331387  0.13313317
   0.79950053  0.84622038  0.28035600
   0.65556976  0.64735357  0.47057437
   0.86800212  0.61476244  0.87644781
   0.60121541  0.94226806  0.63891098
   0.82551177  0.86725906  0.75620626
   0.04226914  0.05223802  0.15023687
   0.31870970  0.17553993  0.28675170
   0.11530765  0.30754975  0.02789669
   0.31859825  0.43533937  0.34021052
   0.50466014  0.37880821  0.21946987
   0.26516630  0.36967380  0.16192916
   0.25987831  0.12898858  0.46090058
   0.01452142  0.15781122  0.38593773
   0.03752339  0.06187617  0.57113601
   0.45509333  0.26402511  0.76935015
   0.11107951  0.30759990  0.53371888
   0.31894588  0.49854716  0.85361452
   0.41198062  0.48470267  0.66367010
   0.20524309  0.35178209  0.70756993
   0.31174120  0.23039659 -0.08227236
   0.04491480  0.14571808  0.89647249
   0.10186897  0.56761642  0.08965553
   0.39624363  0.67041250  0.28325085
   0.05166018  0.82386512  0.05232049
   0.36739677  0.92730734  0.34240277
   0.40814539  0.90394340  0.16403587
   0.16030106  0.83719827  0.23147055
   0.31607423  0.63949904  0.45522850
   0.05462908  0.67716898  0.41214080
   0.14354286  0.54845783  0.58261070
   0.28908321  0.74930321  0.79526848
   0.15384558  0.81054053  0.55978856
   0.38298376  1.01020453  0.81376726
   0.44234451  0.90801311  0.65624728
   0.16349848  0.94891065  0.71932779
   0.25980864  0.68959740 -0.03050915
   0.01227393  0.64727239  0.91237234
   0.62482465  0.06060965  0.09936494
   0.80980942  0.21928608  0.27935900
   0.56984067  0.30242730  0.03911534
   0.93966860  0.44205837  0.35186921
   0.00947038  0.35796839  0.19950409
   0.73686468  0.42886151  0.16852076
   0.76721693  0.19506629  0.45764140
   0.52607735  0.11593346  0.42797806
   0.61373155  0.09400713  0.60350443
   0.82308002  0.22295943  0.78970488
   0.56952431  0.34373011  0.53710766
   0.86429602  0.45888051  0.83773982
   0.95145227  0.39971879  0.66286701
   0.68913880  0.42478174  0.69179759
   0.80546782  0.17666560  0.96851635
   0.56385285  0.10918660  0.91616864
   0.54088816  0.56491657  0.07881578
   0.83129009  0.69403367  0.31554406
   0.61753701  0.81337874  0.05195957
   0.84002336  0.96688420  0.35529470
   0.90073270  0.85163168  0.18569378
   0.65141928  0.87618309  0.23213757
   0.81622174  0.60418767  0.48499035
   0.56038574  0.55412428  0.40371781
   0.58960492  0.62087735  0.57496764
   0.81548086  0.71520374  0.79430986
   0.62607309  0.79728319  0.42559236
   0.88133133  0.97043427  0.83648988
   0.92573536  0.85966092  0.67143717
   0.67557765  0.93096814  0.74125787
   0.76962223  0.63365227  0.96903164
   0.50680363  0.68231412  0.90313963
   0.69247268  0.85452994  0.57946466
   0.66978465  0.86117563  0.45857134
   0.84157405  0.21540145  0.11078228
   0.98263921  0.40423709  0.29579239
   0.30895124  0.11765779  0.65470928
   0.22904718  0.81943938  0.83080901
  -0.04675816  1.08109111  0.12166319
   0.23778389  1.06357209  0.03093577
   0.64864624  0.37968461  0.87064330
   0.87320506  0.39409739  0.61434830
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.722945    0.185730    0.042530
    -0.000000    9.853107    0.169461
    -0.000000    0.000000   14.161025
   Si   O    H 
    32    64    10
Direct configuration=  1169
   0.16975812  0.17425052 -0.02657010
   0.37713101  0.07988196  0.38249648
   0.11819087  0.40954686  0.12016180
   0.35501004  0.33079329  0.25370566
   0.10371309  0.15617225  0.48552619
   0.43389496  0.15917826  0.85816721
   0.10118825  0.40484331  0.62116655
   0.34557034  0.39875823  0.75768757
   0.10161484  0.68727644  0.00317251
   0.40250017  0.57299360  0.37098186
   0.05288894  0.89336496  0.15342709
   0.33030322  0.82141947  0.25203356
   0.16464329  0.67198020  0.50194896
   0.35600869  0.65595396  0.87579651
   0.06850713  0.91266704  0.62531043
   0.32427177  0.99965174  0.70683725
   0.64573994  0.16575864  1.00643944
   0.85307099  0.12535051  0.36415325
   0.58211613  0.41110831  0.12018303
   0.84532722  0.31166372  0.19026983
   0.61612547  0.19000747  0.50869823
   0.89102672  0.13028000  0.87228331
   0.56326356  0.46804398  0.61733882
   0.74484978  0.36588372  0.78850950
   0.60554415  0.66412024 -0.00026715
   0.91906328  0.59501158  0.39078071
   0.56952078  0.91392988  0.13196382
   0.79914186  0.84651331  0.28049161
   0.65460042  0.64712559  0.47111306
   0.86851690  0.61475318  0.87690167
   0.60119635  0.94085268  0.63985552
   0.82600179  0.86788899  0.75610290
   0.03920203  0.05480968  0.14898488
   0.31942070  0.17437978  0.28702396
   0.11358379  0.30605843  0.02754559
   0.31757874  0.43496932  0.33989282
   0.50580884  0.37846562  0.21938528
   0.26680417  0.36854284  0.16163203
   0.26100177  0.13003903  0.46159059
   0.01304660  0.15752994  0.38593976
   0.03872117  0.06240373  0.57044104
   0.45524312  0.26482855  0.76996181
   0.11066152  0.30671020  0.53309768
   0.31926857  0.49904960  0.85355478
   0.41082132  0.48397620  0.66351268
   0.20555624  0.35108385  0.70826164
   0.31059687  0.22936717 -0.08271440
   0.04338937  0.14604219  0.89692836
   0.10273315  0.56864717  0.08841643
   0.39724858  0.66957155  0.28329308
   0.05176308  0.82347665  0.05230279
   0.36734888  0.92761891  0.34247091
   0.40830292  0.90208772  0.16346409
   0.16151605  0.83696525  0.23160596
   0.31693554  0.63847416  0.45324513
   0.05457880  0.67763222  0.41152839
   0.14466786  0.55094568  0.58180812
   0.28712579  0.74862288  0.79516211
   0.15493501  0.81087685  0.55939467
   0.38355952  1.00982287  0.81328905
   0.44273818  0.90816161  0.65654650
   0.16271143  0.94886345  0.71869121
   0.26212122  0.68925734 -0.02935832
   0.01206516  0.65119715  0.91151461
   0.62483427  0.06095116  0.10005963
   0.81026877  0.21859235  0.27973948
   0.57001317  0.30282936  0.03902413
   0.93856258  0.44185383  0.35114876
   0.01060948  0.35832302  0.19879275
   0.73732588  0.42927232  0.16816020
   0.76500377  0.19613454  0.45773747
   0.52631673  0.11529982  0.42713051
   0.61397868  0.09373234  0.60296370
   0.82393975  0.22400009  0.78989596
   0.57093395  0.34383317  0.53668258
   0.86392014  0.45973869  0.83679061
   0.95208931  0.39991695  0.66470341
   0.68771814  0.42244240  0.69222148
   0.80616413  0.17429421  0.96894817
   0.56283467  0.10983351  0.91624938
   0.54144794  0.56493569  0.07858797
   0.83353380  0.69474648  0.31557789
   0.61907469  0.81295234  0.05045594
   0.83947306  0.96679791  0.35540984
   0.90200380  0.85022197  0.18397911
   0.65120149  0.87657222  0.23246103
   0.81685269  0.60480840  0.48450488
   0.56073275  0.55494729  0.40413522
   0.58763216  0.61989753  0.57572208
   0.81364585  0.71648574  0.79420835
   0.62421259  0.79707143  0.42550009
   0.88270722  0.96869525  0.83875594
   0.92498877  0.86033062  0.67038168
   0.67613553  0.93122274  0.74128922
   0.76964098  0.63298279  0.97050382
   0.50768001  0.68131167  0.90379403
   0.68843904  0.85888000  0.58069240
   0.67663406  0.86436784  0.46995943
   0.83804640  0.21662138  0.11052915
   0.97763763  0.40056786  0.29598918
   0.30623191  0.12557437  0.64372746
   0.22881905  0.81901291  0.82553954
  -0.04816540  1.08294560  0.12125900
   0.24069243  1.06792796  0.02937567
   0.64435808  0.37619304  0.86529600
   0.87515721  0.39120571  0.61356984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.723744    0.188800    0.042084
    -0.000000    9.853378    0.170026
    -0.000000    0.000000   14.161050
   Si   O    H 
    32    64    10
Direct configuration=  1170
   0.17030464  0.17344693 -0.02653253
   0.37796947  0.08042480  0.38330567
   0.11717669  0.40992735  0.12032095
   0.35419580  0.33106949  0.25235564
   0.10485689  0.15733627  0.48566143
   0.43237349  0.15867496  0.85806184
   0.10098065  0.40251961  0.62095051
   0.34580916  0.39952795  0.75827214
   0.10272379  0.68801263  0.00397796
   0.40207928  0.57210288  0.37076568
   0.05299109  0.89178686  0.15335652
   0.33056644  0.82171210  0.25319876
   0.16449142  0.67219868  0.50252365
   0.35647048  0.65577485  0.87537324
   0.06714975  0.91313110  0.62451262
   0.32473287  1.00039896  0.70698727
   0.64592156  0.16545930  1.00593388
   0.85320299  0.12538753  0.36501581
   0.58167591  0.41048709  0.12016298
   0.84542400  0.31206844  0.19036224
   0.61697922  0.19042233  0.50842061
   0.89199023  0.13067691  0.87190596
   0.56391032  0.46892249  0.61606737
   0.74422923  0.36679957  0.78847445
   0.60592462  0.66395604 -0.00030785
   0.91852911  0.59432372  0.39097115
   0.56933911  0.91477362  0.13086872
   0.79971005  0.84672458  0.28047675
   0.65396097  0.64583258  0.47162257
   0.86822921  0.61455308  0.87757459
   0.60171499  0.94003249  0.64121537
   0.82603502  0.86923273  0.75675441
   0.03649564  0.05706153  0.14796136
   0.32002992  0.17362015  0.28718933
   0.11174563  0.30505699  0.02788879
   0.31725031  0.43394610  0.33864650
   0.50687562  0.37806785  0.21923305
   0.26808494  0.36803038  0.16135529
   0.26246856  0.13097543  0.46188708
   0.01172323  0.15787320  0.38585069
   0.03985754  0.06206787  0.56943749
   0.45514368  0.26615298  0.77058794
   0.11042225  0.30541319  0.53163034
   0.32005560  0.49936443  0.85357811
   0.40938800  0.48219913  0.66353454
   0.20553730  0.35017698  0.70922888
   0.30954373  0.22826627 -0.08358955
   0.04304555  0.14659681  0.89712349
   0.10350526  0.56887587  0.08706291
   0.39857209  0.66914129  0.28304864
   0.05264183  0.82336836  0.05206111
   0.36854418  0.92799528  0.34266760
   0.40787896  0.90038505  0.16302907
   0.16298369  0.83636066  0.23158855
   0.31711521  0.63736476  0.45189345
   0.05549960  0.67774994  0.41066652
   0.14578630  0.55267888  0.58054489
   0.28568006  0.74960243  0.79402700
   0.15568777  0.81179474  0.55885894
   0.38467620  1.00967800  0.81271295
   0.44163464  0.90763657  0.65657087
   0.16212042  0.94851217  0.71792163
   0.26461015  0.68873261 -0.02802555
   0.01264836  0.65463713  0.91134718
   0.62482241  0.06226401  0.10019368
   0.80967015  0.21857418  0.27979886
   0.57021907  0.30428948  0.03921821
   0.93672172  0.44117247  0.35128088
   0.01110349  0.35901235  0.19846652
   0.73761014  0.42932563  0.16766410
   0.76336587  0.19754731  0.45724405
   0.52592903  0.11545592  0.42682360
   0.61405239  0.09402050  0.60255262
   0.82545187  0.22454621  0.78978560
   0.57177951  0.34385996  0.53687412
   0.86353599  0.46075776  0.83621856
   0.95195893  0.39979824  0.66548829
   0.68601652  0.42097181  0.69280564
   0.80723941  0.17156957  0.96955689
   0.56315665  0.11081415  0.91577273
   0.54155501  0.56412554  0.07852353
   0.83546659  0.69533704  0.31569366
   0.62025432  0.81222318  0.04963999
   0.83963118  0.96565197  0.35594231
   0.90260856  0.84814894  0.18294998
   0.65072094  0.87604455  0.23212643
   0.81660862  0.60465317  0.48380975
   0.56119162  0.55603700  0.40428139
   0.58568994  0.61820749  0.57634068
   0.81266665  0.71764201  0.79356747
   0.62302121  0.79726100  0.42577133
   0.88360071  0.96752740  0.84099984
   0.92472823  0.86114403  0.66920900
   0.67608736  0.93143794  0.74123011
   0.76884554  0.63243568  0.97181202
   0.50830909  0.68070911  0.90446630
   0.68603681  0.86037639  0.57833290
   0.67791790  0.85826441  0.47457645
   0.83871370  0.21792215  0.11232161
   0.97804642  0.39953322  0.29547552
   0.30587253  0.13295253  0.63620343
   0.22530137  0.81681075  0.82145130
  -0.05001488  1.08836634  0.12155792
   0.24047201  1.07097357  0.02993420
   0.63896689  0.37232799  0.85900902
   0.88411185  0.39013769  0.61795006
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.725165    0.191933    0.041154
    -0.000000    9.853554    0.171331
    -0.000000    0.000000   14.161216
   Si   O    H 
    32    64    10
Direct configuration=  1171
   0.17027269  0.17269929 -0.02657176
   0.37863233  0.08135181  0.38424105
   0.11649690  0.40971577  0.12033362
   0.35369292  0.33153030  0.25154373
   0.10552137  0.15838932  0.48533902
   0.43117111  0.15768527  0.85775949
   0.10125367  0.40014145  0.62078760
   0.34604757  0.39977798  0.75868457
   0.10393879  0.68818236  0.00481858
   0.40212563  0.57081029  0.37052586
   0.05230234  0.89009937  0.15351434
   0.33050708  0.82255073  0.25395348
   0.16437984  0.67198300  0.50292220
   0.35640117  0.65560096  0.87511721
   0.06563628  0.91367191  0.62393186
   0.32546375  1.00143318  0.70682339
   0.64663035  0.16500386  1.00574500
   0.85328100  0.12536300  0.36607518
   0.58139737  0.41063476  0.12043218
   0.84560886  0.31212999  0.19031550
   0.61794076  0.19007844  0.50827391
   0.89309660  0.13088979  0.87154871
   0.56501491  0.46962977  0.61533449
   0.74387072  0.36678040  0.78879165
   0.60675057  0.66413442 -0.00009349
   0.91761795  0.59299904  0.39100003
   0.56930246  0.91491563  0.12999319
   0.79995185  0.84682374  0.28029087
   0.65284542  0.64427156  0.47245109
   0.86753570  0.61440247  0.87780514
   0.60199292  0.93942258  0.64194743
   0.82613008  0.87005409  0.75738398
   0.03466483  0.05898766  0.14691013
   0.32072886  0.17273295  0.28796012
   0.11054024  0.30547702  0.02948663
   0.31759266  0.43296631  0.33699356
   0.50805172  0.37782175  0.21879255
   0.26885043  0.36756036  0.16073610
   0.26388126  0.13192597  0.46183317
   0.01087264  0.15890218  0.38587776
   0.04046803  0.06195585  0.56877446
   0.45449184  0.26793884  0.77144388
   0.10999440  0.30421995  0.53032000
   0.32100095  0.49914022  0.85301449
   0.40787249  0.48054896  0.66338819
   0.20531968  0.34984611  0.70999869
   0.30824510  0.22677333 -0.08450159
   0.04347986  0.14684599  0.89701022
   0.10381021  0.56869840  0.08600324
   0.39867836  0.66877218  0.28241782
   0.05441331  0.82241620  0.05201983
   0.36922663  0.92802586  0.34272619
   0.40730869  0.89839136  0.16245142
   0.16398879  0.83606622  0.23176218
   0.31639257  0.63692163  0.45075906
   0.05710295  0.67764704  0.41009721
   0.14689080  0.55430895  0.57946553
   0.28427465  0.75022017  0.79216879
   0.15611382  0.81279858  0.55810627
   0.38568476  1.00944766  0.81240416
   0.43986226  0.90741870  0.65631716
   0.16169528  0.94823007  0.71731466
   0.26771519  0.68864080 -0.02675068
   0.01357130  0.65731503  0.91135693
   0.62540976  0.06381749  0.10037421
   0.80917315  0.21835926  0.27962698
   0.57032382  0.30522832  0.03959716
   0.93342493  0.44131067  0.35195234
   0.01084222  0.35978785  0.19814259
   0.73737410  0.42931608  0.16658933
   0.76168558  0.19845539  0.45631799
   0.52534768  0.11512493  0.42688133
   0.61403210  0.09515206  0.60262718
   0.82655891  0.22504597  0.78933593
   0.57295575  0.34421856  0.53693904
   0.86329408  0.46243342  0.83601166
   0.95159312  0.39989836  0.66633406
   0.68420811  0.41968408  0.69303311
   0.80735060  0.16913581  0.97018198
   0.56376956  0.11137168  0.91545425
   0.54120501  0.56225147  0.07865947
   0.83672940  0.69580554  0.31611483
   0.62009146  0.81164852  0.04853077
   0.84023152  0.96483018  0.35695324
   0.90250514  0.84543286  0.18173638
   0.64980927  0.87543069  0.23217531
   0.81647995  0.60425280  0.48364095
   0.56118647  0.55695799  0.40479035
   0.58433714  0.61671041  0.57709688
   0.81187343  0.71791087  0.79303066
   0.62229458  0.79825350  0.42668274
   0.88516405  0.96674329  0.84335319
   0.92429257  0.86211464  0.66803834
   0.67620424  0.93215642  0.74121377
   0.76769206  0.63162300  0.97373142
   0.50942735  0.68044756  0.90520208
   0.68196526  0.86177283  0.57684808
   0.67480718  0.84868541  0.47601258
   0.84072252  0.21924106  0.11491290
   0.98312328  0.40437043  0.29521025
   0.31093760  0.13572419  0.63458076
   0.21861249  0.81554324  0.82100970
  -0.05155633  1.09487516  0.12206498
   0.23765669  1.07054756  0.03159065
   0.62856568  0.36590626  0.85649043
   0.88679983  0.39031422  0.62015497
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.726691    0.195237    0.039904
    -0.000000    9.853634    0.172758
    -0.000000    0.000000   14.161802
   Si   O    H 
    32    64    10
Direct configuration=  1172
   0.16977739  0.17242390 -0.02678036
   0.37903165  0.08205414  0.38500830
   0.11633750  0.40934859  0.12015174
   0.35304386  0.33169242  0.25123367
   0.10617418  0.15884434  0.48450678
   0.42975260  0.15673584  0.85779045
   0.10161812  0.39858678  0.62027781
   0.34610302  0.40039826  0.75868385
   0.10524900  0.68755692  0.00530681
   0.40213299  0.56924353  0.37003018
   0.05163327  0.88816096  0.15370142
   0.33049661  0.82376568  0.25510826
   0.16445786  0.67150615  0.50302830
   0.35567924  0.65579484  0.87515967
   0.06462151  0.91441445  0.62344788
   0.32571187  1.00246360  0.70657972
   0.64781782  0.16471741  1.00568807
   0.85393519  0.12570532  0.36769505
   0.58203791  0.41142197  0.12109794
   0.84609895  0.31204114  0.19004715
   0.61753263  0.18990414  0.50785844
   0.89360814  0.13082921  0.87139263
   0.56611643  0.47002273  0.61465619
   0.74357796  0.36648571  0.78946009
   0.60699734  0.66496777  0.00023543
   0.91654046  0.59205638  0.39154229
   0.56923521  0.91493337  0.12918795
   0.80010039  0.84731334  0.27946199
   0.65193470  0.64273226  0.47311191
   0.86716364  0.61511121  0.87785564
   0.60161366  0.93912521  0.64256489
   0.82596233  0.87073656  0.75871012
   0.03363938  0.06089655  0.14600821
   0.32223472  0.17279998  0.28844026
   0.10908052  0.30621629  0.03133003
   0.31816714  0.43193595  0.33613733
   0.50842838  0.37693760  0.21831694
   0.26879208  0.36719399  0.15929553
   0.26584151  0.13235148  0.46209273
   0.00979408  0.15966943  0.38637131
   0.04159058  0.06157546  0.56751423
   0.45371812  0.26850757  0.77231350
   0.10885594  0.30328048  0.52901976
   0.32306186  0.49861567  0.85224592
   0.40669788  0.47896038  0.66329388
   0.20513176  0.34948432  0.71061483
   0.30630882  0.22551174 -0.08518757
   0.04511828  0.14718024  0.89705615
   0.10471921  0.56824733  0.08451831
   0.39824898  0.66814073  0.28162879
   0.05632217  0.82133419  0.05190690
   0.36947241  0.92816598  0.34277334
   0.40596154  0.89622552  0.16174770
   0.16524006  0.83480361  0.23183339
   0.31536831  0.63700112  0.45048147
   0.05888727  0.67731575  0.40943516
   0.14704305  0.55489218  0.57796786
   0.28319676  0.75134977  0.79026633
   0.15623849  0.81392102  0.55737967
   0.38676255  1.00948845  0.81252435
   0.43855865  0.90694302  0.65587644
   0.16119311  0.94812852  0.71692586
   0.26960626  0.68812643 -0.02578662
   0.01527241  0.65944748  0.91146593
   0.62560268  0.06679769  0.10033012
   0.80954114  0.21803780  0.27929321
   0.57060888  0.30570262  0.03989000
   0.93054042  0.44262142  0.35266298
   0.00944101  0.36029945  0.19766677
   0.73752877  0.42914570  0.16577490
   0.76048421  0.19889652  0.45524266
   0.52522057  0.11486690  0.42688656
   0.61481626  0.09586553  0.60277586
   0.82755399  0.22505897  0.78845805
   0.57372837  0.34456314  0.53683225
   0.86322034  0.46439411  0.83657860
   0.95178038  0.40025229  0.66751495
   0.68155806  0.41990524  0.69248597
   0.80672066  0.16688548  0.97111262
   0.56377820  0.11165098  0.91451119
   0.54126567  0.56042167  0.07878775
   0.83767464  0.69540696  0.31621338
   0.61958539  0.81121662  0.04766759
   0.84104804  0.96283727  0.35775579
   0.90214825  0.84183025  0.18144469
   0.64924486  0.87514658  0.23141671
   0.81570654  0.60293524  0.48350005
   0.56146904  0.55750526  0.40523530
   0.58297788  0.61622572  0.57755322
   0.81116035  0.71793343  0.79297077
   0.62138295  0.79965835  0.42770853
   0.88626586  0.96627036  0.84550283
   0.92328746  0.86353594  0.66692066
   0.67657750  0.93242018  0.74121565
   0.76729249  0.63059660  0.97508114
   0.51131168  0.67935860  0.90590690
   0.67935064  0.86153147  0.57506279
   0.66766893  0.84218418  0.47349942
   0.83974114  0.22114630  0.11509197
   0.99114009  0.41245258  0.29549830
   0.31790885  0.12875969  0.63726321
   0.21357697  0.81306967  0.82124460
  -0.05696377  1.09823634  0.12048867
   0.23000820  1.06744854  0.03314360
   0.61991491  0.36286732  0.85354786
   0.88025299  0.39171351  0.61855977
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.728243    0.198869    0.038138
    -0.000000    9.853359    0.174098
    -0.000000    0.000000   14.162369
   Si   O    H 
    32    64    10
Direct configuration=  1173
   0.16972726  0.17275979 -0.02739650
   0.37930079  0.08351940  0.38551674
   0.11696394  0.40902054  0.11952701
   0.35235717  0.33186698  0.25108174
   0.10680801  0.15884864  0.48338171
   0.42825945  0.15613423  0.85781890
   0.10252524  0.39768071  0.61954960
   0.34586758  0.40143545  0.75812552
   0.10723224  0.68646266  0.00571811
   0.40218435  0.56766636  0.36986914
   0.05097283  0.88646921  0.15406089
   0.33063869  0.82417622  0.25601540
   0.16506513  0.67106019  0.50312889
   0.35392569  0.65597705  0.87552034
   0.06446147  0.91568240  0.62326973
   0.32548639  1.00316971  0.70625188
   0.64860745  0.16438635  1.00532837
   0.85468152  0.12628823  0.36857476
   0.58161062  0.41231895  0.12176293
   0.84578420  0.31211788  0.18976571
   0.61668272  0.18945091  0.50745725
   0.89392898  0.13056883  0.87158396
   0.56712144  0.46960198  0.61476381
   0.74336435  0.36631362  0.79008049
   0.60698345  0.66524285  0.00004592
   0.91574300  0.59112416  0.39196768
   0.56918397  0.91461683  0.12881820
   0.80027974  0.84766496  0.27858016
   0.65082334  0.64165791  0.47390660
   0.86668312  0.61646067  0.87797983
   0.60110170  0.93865510  0.64328751
   0.82576305  0.87110625  0.76022936
   0.03309046  0.06286671  0.14440544
   0.32479156  0.17281144  0.28895814
   0.10721693  0.30751115  0.03244714
   0.31858350  0.43032081  0.33533149
   0.50886357  0.37647095  0.21807098
   0.26822385  0.36711357  0.15772231
   0.26718414  0.13198206  0.46225221
   0.00936595  0.16053140  0.38697605
   0.04278753  0.06189830  0.56718530
   0.45246265  0.26825069  0.77321930
   0.10813527  0.30332927  0.52774842
   0.32556462  0.49812068  0.85116002
   0.40630332  0.47749889  0.66336554
   0.20462897  0.34918897  0.71191959
   0.30406000  0.22420718 -0.08560032
   0.04761614  0.14760733  0.89772561
   0.10503272  0.56718348  0.08365088
   0.39801482  0.66854929  0.27989539
   0.05753745  0.82099340  0.05218403
   0.36950042  0.92732422  0.34336410
   0.40486323  0.89457271  0.16096910
   0.16641737  0.83279881  0.23203108
   0.31406707  0.63748361  0.45083586
   0.06111319  0.67705737  0.40910559
   0.14711131  0.55412718  0.57650648
   0.28289687  0.75162644  0.78905738
   0.15670557  0.81468642  0.55734974
   0.38700814  1.00902195  0.81238544
   0.43771795  0.90587951  0.65558669
   0.16184066  0.94799448  0.71625353
   0.27155972  0.68742743 -0.02467852
   0.01785149  0.66169454  0.91182890
   0.62552995  0.06979836  0.10019844
   0.80911032  0.21703303  0.27887188
   0.57123557  0.30480321  0.04002121
   0.92793820  0.44327923  0.35340755
   0.00782799  0.36098459  0.19749707
   0.73776618  0.42941027  0.16465235
   0.76023395  0.20000515  0.45377592
   0.52497629  0.11471432  0.42624286
   0.61559157  0.09637766  0.60322326
   0.82853274  0.22442987  0.78773647
   0.57499205  0.34563106  0.53699769
   0.86297299  0.46563154  0.83672368
   0.95123152  0.39987951  0.66864691
   0.67915782  0.42091161  0.69168466
   0.80723382  0.16445276  0.97156652
   0.56363904  0.11052041  0.91405135
   0.54105392  0.55912566  0.07879038
   0.83840783  0.69554989  0.31599581
   0.61932955  0.81120189  0.04671457
   0.84193734  0.96141277  0.35873400
   0.90195489  0.83906142  0.18170721
   0.64851839  0.87552414  0.23037931
   0.81489493  0.60134437  0.48316698
   0.56123057  0.55757417  0.40523994
   0.58179308  0.61612454  0.57789549
   0.81120263  0.71791445  0.79323630
   0.62035096  0.79978121  0.42868087
   0.88725213  0.96522675  0.84750964
   0.92196536  0.86551666  0.66581928
   0.67664943  0.93277192  0.74127942
   0.76654126  0.62944634  0.97645065
   0.51339642  0.67827175  0.90584121
   0.67782424  0.86015218  0.57265709
   0.66692106  0.85021037  0.47650726
   0.83738738  0.22182369  0.11451167
   0.99894416  0.42257984  0.30162936
   0.32527581  0.11910550  0.64242734
   0.21591765  0.80782552  0.82029349
  -0.05580731  1.09717125  0.11895253
   0.22721914  1.06392803  0.03609846
   0.61672077  0.36024904  0.84893591
   0.87157427  0.39193476  0.61730589
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.729880    0.202499    0.036327
    -0.000000    9.853430    0.175252
    -0.000000    0.000000   14.163310
   Si   O    H 
    32    64    10
Direct configuration=  1174
   0.16914910  0.17297673 -0.02787017
   0.37953179  0.08463703  0.38556848
   0.11758449  0.40853143  0.11898135
   0.35169806  0.33126762  0.25104711
   0.10760248  0.15922546  0.48239907
   0.42643942  0.15624102  0.85731633
   0.10445444  0.39768509  0.61864037
   0.34537837  0.40199783  0.75771423
   0.10956951  0.68556469  0.00567854
   0.40255161  0.56567681  0.37007791
   0.05064059  0.88567870  0.15401109
   0.33192641  0.82452664  0.25677461
   0.16561355  0.67082899  0.50297355
   0.35262454  0.65630844  0.87547688
   0.06522439  0.91656216  0.62311027
   0.32497655  1.00330121  0.70594204
   0.64930756  0.16381232  1.00504293
   0.85514272  0.12672368  0.36924967
   0.58167870  0.41371117  0.12199913
   0.84533333  0.31216017  0.18933162
   0.61592789  0.18918759  0.50675869
   0.89374683  0.12954310  0.87216986
   0.56737502  0.46905420  0.61482077
   0.74249547  0.36602334  0.79123038
   0.60760706  0.66579546 -0.00015600
   0.91527009  0.59073214  0.39279842
   0.56950531  0.91455977  0.12810561
   0.80039027  0.84760562  0.27790340
   0.64983107  0.64072091  0.47468266
   0.86574297  0.61771346  0.87815053
   0.59987235  0.93868067  0.64427875
   0.82572083  0.87145677  0.76211088
   0.03239106  0.06438966  0.14294973
   0.32723252  0.17323386  0.28913859
   0.10568967  0.30831615  0.03366345
   0.31941736  0.42874242  0.33461304
   0.50900403  0.37672215  0.21780471
   0.26782349  0.36628920  0.15631069
   0.26878511  0.13192194  0.46237714
   0.01049838  0.16126120  0.38795667
   0.04393035  0.06255010  0.56663334
   0.45140910  0.26790730  0.77423119
   0.10707629  0.30355923  0.52677639
   0.32774545  0.49748961  0.84985068
   0.40694925  0.47710018  0.66397363
   0.20358016  0.34871023  0.71272111
   0.30203787  0.22307806 -0.08561742
   0.04999753  0.14740138  0.89799304
   0.10400308  0.56582369  0.08307866
   0.39677145  0.67053624  0.27849151
   0.05788299  0.82127449  0.05267089
   0.37030655  0.92669802  0.34408746
   0.40354946  0.89303229  0.15979248
   0.16795102  0.83077576  0.23189965
   0.31310955  0.63861009  0.45102136
   0.06314298  0.67707833  0.40948662
   0.14762474  0.55343760  0.57585768
   0.28259867  0.75143612  0.78793013
   0.15730740  0.81527528  0.55691416
   0.38793452  1.00962617  0.81237388
   0.43771237  0.90501158  0.65507808
   0.16232212  0.94852558  0.71584996
   0.27318820  0.68656388 -0.02385063
   0.02044820  0.66375939  0.91157248
   0.62532150  0.07213519  0.09969941
   0.80888089  0.21622358  0.27839498
   0.57197599  0.30449635  0.03991025
   0.92658484  0.44325946  0.35398213
   0.00680893  0.36190505  0.19736896
   0.73848610  0.42974996  0.16354423
   0.76016455  0.20058794  0.45196878
   0.52465853  0.11370274  0.42562049
   0.61626995  0.09775107  0.60327215
   0.82902729  0.22399623  0.78745774
   0.57600939  0.34716307  0.53717803
   0.86348351  0.46772313  0.83713297
   0.95048635  0.40006493  0.66888385
   0.67717773  0.42198045  0.69108171
   0.80672371  0.16186223  0.97193947
   0.56403078  0.10990707  0.91349701
   0.53976054  0.55736009  0.07868090
   0.83888616  0.69506711  0.31534401
   0.61927983  0.81150112  0.04591459
   0.84227181  0.95953335  0.35907136
   0.90140251  0.83644146  0.18261147
   0.64737864  0.87598673  0.22894272
   0.81503429  0.59972737  0.48293005
   0.56017995  0.55736514  0.40446238
   0.58158328  0.61580239  0.57827813
   0.81090679  0.71721610  0.79374326
   0.61957148  0.79921525  0.42982839
   0.88834589  0.96413661  0.84859985
   0.92081306  0.86679213  0.66527973
   0.67677863  0.93361121  0.74129788
   0.76591881  0.62874470  0.97712789
   0.51577997  0.67744926  0.90629018
   0.67740676  0.85478021  0.57096583
   0.66615356  0.86232664  0.47717939
   0.83494800  0.22202863  0.11051605
   1.00328765  0.43379254  0.31008233
   0.33209375  0.11090999  0.64684226
   0.21099762  0.80819139  0.81830661
  -0.05154229  1.09460904  0.11885307
   0.22311978  1.05731998  0.03860628
   0.62015853  0.35929048  0.84654640
   0.87540188  0.39210143  0.62036266
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.731703    0.206821    0.034622
    -0.000000    9.853759    0.175963
    -0.000000    0.000000   14.163761
   Si   O    H 
    32    64    10
Direct configuration=  1175
   0.16903894  0.17294891 -0.02807360
   0.37937899  0.08609491  0.38527211
   0.11775905  0.40781596  0.11826606
   0.35140642  0.33083604  0.25127529
   0.10783094  0.15949481  0.48122737
   0.42432516  0.15596828  0.85711913
   0.10606661  0.39804563  0.61765662
   0.34521004  0.40246158  0.75734962
   0.11162541  0.68453327  0.00533333
   0.40255761  0.56454494  0.37022593
   0.05063221  0.88554854  0.15445502
   0.33305811  0.82545883  0.25759415
   0.16633756  0.67044148  0.50230978
   0.35129340  0.65651188  0.87549573
   0.06545815  0.91766784  0.62254191
   0.32414897  1.00287661  0.70637710
   0.64970633  0.16285417  1.00450222
   0.85562294  0.12671637  0.36981739
   0.58215409  0.41489401  0.12217057
   0.84556444  0.31187090  0.18923808
   0.61575749  0.18918074  0.50657181
   0.89371239  0.12804516  0.87278749
   0.56699099  0.46808568  0.61506500
   0.74108502  0.36627710  0.79228997
   0.60867585  0.66654283 -0.00015699
   0.91522957  0.59107821  0.39338246
   0.57001663  0.91395716  0.12758657
   0.80119170  0.84658288  0.27716898
   0.64914693  0.64056342  0.47565645
   0.86522736  0.61904857  0.87848477
   0.59848974  0.93839347  0.64503495
   0.82580112  0.87166797  0.76389996
   0.03163607  0.06538083  0.14158371
   0.32957191  0.17407290  0.28882238
   0.10442418  0.30831744  0.03450882
   0.31968261  0.42721301  0.33458838
   0.50858783  0.37695614  0.21832116
   0.26804257  0.36580317  0.15509065
   0.26972435  0.13163498  0.46234833
   0.01239605  0.16181248  0.38937156
   0.04517831  0.06316638  0.56619647
   0.45036889  0.26750072  0.77517366
   0.10639133  0.30423648  0.52636509
   0.32975248  0.49667933  0.84887360
   0.40775041  0.47657028  0.66408176
   0.20224220  0.34839521  0.71378062
   0.30013003  0.22220751 -0.08567553
   0.05280898  0.14776212  0.89851597
   0.10341697  0.56463850  0.08296756
   0.39649566  0.67246349  0.27747864
   0.05864525  0.82171158  0.05285981
   0.37121113  0.92728051  0.34503161
   0.40286145  0.89173404  0.15856873
   0.16948205  0.82897090  0.23144572
   0.31214343  0.63916557  0.45068232
   0.06414073  0.67742422  0.41079107
   0.14752896  0.55187828  0.57575360
   0.28198580  0.75081109  0.78711745
   0.15842868  0.81597495  0.55698775
   0.38865885  1.01022838  0.81250950
   0.43817243  0.90399129  0.65443107
   0.16329360  0.94850869  0.71572932
   0.27494320  0.68586606 -0.02313641
   0.02259626  0.66596278  0.91082479
   0.62464156  0.07385443  0.09947780
   0.80873632  0.21492384  0.27789072
   0.57254500  0.30391407  0.03970918
   0.92552780  0.44281352  0.35444233
   0.00614969  0.36305963  0.19757613
   0.74014734  0.43056733  0.16238785
   0.76074818  0.20047672  0.45032929
   0.52484650  0.11215911  0.42552073
   0.61655624  0.09917314  0.60322698
   0.82962640  0.22296135  0.78731969
   0.57579467  0.34937280  0.53660634
   0.86445700  0.46985827  0.83732621
   0.95007429  0.39993075  0.66786754
   0.67541396  0.42358066  0.69123686
   0.80711826  0.15929047  0.97256507
   0.56419575  0.10957889  0.91253084
   0.53804548  0.55586653  0.07850819
   0.83930350  0.69426464  0.31490928
   0.61804115  0.81267995  0.04442305
   0.84292253  0.95855435  0.35904152
   0.90109812  0.83468516  0.18435854
   0.64655297  0.87605141  0.22798654
   0.81455038  0.59693009  0.48261360
   0.55891584  0.55687098  0.40401463
   0.58143391  0.61520943  0.57868407
   0.81101659  0.71672077  0.79420538
   0.61954390  0.79856918  0.43111330
   0.88879141  0.96202968  0.84949174
   0.91957619  0.86729548  0.66496327
   0.67731116  0.93411731  0.74104657
   0.76512148  0.62743411  0.97758250
   0.51821343  0.67719362  0.90635032
   0.67507339  0.85126497  0.57326500
   0.66266140  0.86699627  0.47003530
   0.83258394  0.22239973  0.10847791
   1.00771270  0.44165018  0.31615104
   0.33747493  0.11040620  0.64792226
   0.20906553  0.80578867  0.81684483
  -0.05826902  1.09780245  0.11504378
   0.22089349  1.05327855  0.03903577
   0.62235371  0.35759564  0.84626620
   0.88272232  0.39655953  0.62482121
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.733173    0.210939    0.033332
    -0.000000    9.854521    0.176538
    -0.000000    0.000000   14.163889
   Si   O    H 
    32    64    10
Direct configuration=  1176
   0.16972992  0.17251210 -0.02802326
   0.37896477  0.08669155  0.38420315
   0.11798515  0.40688015  0.11778933
   0.35095612  0.33001997  0.25108113
   0.10835318  0.15952658  0.47993917
   0.42258550  0.15574439  0.85628302
   0.10791471  0.39888495  0.61716232
   0.34494162  0.40236228  0.75698437
   0.11380450  0.68375091  0.00491825
   0.40225265  0.56380566  0.37029049
   0.05082131  0.88564244  0.15510973
   0.33437675  0.82666327  0.25809272
   0.16693810  0.67000470  0.50170338
   0.34966661  0.65663675  0.87599936
   0.06582989  0.91854454  0.62230967
   0.32334227  1.00190154  0.70705576
   0.64960185  0.16125855  1.00396066
   0.85590601  0.12673557  0.37036481
   0.58288104  0.41603861  0.12220421
   0.84628970  0.31154372  0.18936974
   0.61527499  0.18953458  0.50636671
   0.89330335  0.12633756  0.87376072
   0.56589710  0.46700514  0.61506969
   0.74020730  0.36663720  0.79344733
   0.60922184  0.66711977  0.00023930
   0.91422114  0.59193852  0.39422106
   0.57017171  0.91331871  0.12775025
   0.80202234  0.84600698  0.27603644
   0.64847910  0.64093515  0.47630621
   0.86457067  0.61976311  0.87895828
   0.59778321  0.93851220  0.64512452
   0.82626039  0.87233634  0.76564649
   0.03232674  0.06530562  0.14019346
   0.33178271  0.17588805  0.28888775
   0.10400188  0.30678648  0.03458281
   0.31984147  0.42701832  0.33546587
   0.50686234  0.37702825  0.21862118
   0.26832236  0.36572114  0.15413357
   0.27041718  0.13069206  0.46272381
   0.01424894  0.16138659  0.39068342
   0.04656526  0.06288421  0.56614386
   0.44872967  0.26729444  0.77620378
   0.10542270  0.30482003  0.52620603
   0.33106418  0.49659794  0.84804107
   0.40865606  0.47633632  0.66401225
   0.20076579  0.34796002  0.71443650
   0.29865898  0.22141636 -0.08564316
   0.05544788  0.14883160  0.89868349
   0.10393811  0.56400453  0.08306533
   0.39625281  0.67421650  0.27646350
   0.05922414  0.82155123  0.05297892
   0.37125322  0.92857591  0.34539616
   0.40251817  0.89073512  0.15750455
   0.17072392  0.82727651  0.23148439
   0.31111034  0.63937252  0.45030847
   0.06456702  0.67812194  0.41200028
   0.14697582  0.54946130  0.57539425
   0.28263227  0.74944600  0.78662369
   0.15957949  0.81689974  0.55663728
   0.38920400  1.01106830  0.81251080
   0.43958943  0.90229189  0.65390517
   0.16424787  0.94887942  0.71571261
   0.27655495  0.68500054 -0.02242989
   0.02368440  0.66705851  0.90976618
   0.62360168  0.07452113  0.09919332
   0.80924983  0.21314663  0.27719050
   0.57443063  0.30314355  0.03915928
   0.92453352  0.44222378  0.35512187
   0.00597098  0.36422551  0.19846662
   0.74102356  0.43118239  0.16073991
   0.76141700  0.20015630  0.44948509
   0.52593554  0.11104590  0.42520864
   0.61666896  0.09974151  0.60305666
   0.83037731  0.22149319  0.78754043
   0.57513004  0.35126013  0.53572909
   0.86515231  0.47136840  0.83785614
   0.95108648  0.40040111  0.66745036
   0.67485225  0.42508548  0.69177210
   0.80791782  0.15715664  0.97260561
   0.56474870  0.10933054  0.91132422
   0.53690494  0.55507966  0.07795227
   0.83887689  0.69416200  0.31450428
   0.61601279  0.81366887  0.04331216
   0.84351900  0.95673987  0.35882226
   0.89983034  0.83331311  0.18591941
   0.64615146  0.87633283  0.22741999
   0.81461421  0.59457564  0.48235496
   0.55757973  0.55656405  0.40364771
   0.58117909  0.61408519  0.57876591
   0.81126134  0.71543582  0.79508963
   0.61947424  0.79788393  0.43234284
   0.88928081  0.96005498  0.85031089
   0.91755896  0.86866977  0.66484005
   0.67829177  0.93454212  0.74074529
   0.76448760  0.62661064  0.97730413
   0.51996829  0.67662237  0.90693725
   0.66672952  0.85054144  0.58166920
   0.65780324  0.86999310  0.46175786
   0.83078830  0.22386963  0.10731706
   1.01551659  0.44357562  0.31759564
   0.34005035  0.12561182  0.64337640
   0.20887325  0.80152648  0.81306932
  -0.05877091  1.09534522  0.11004847
   0.21753883  1.05593666  0.03445268
   0.62301837  0.35635503  0.84938476
   0.87731841  0.40298340  0.62047835
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.735099    0.214744    0.031652
    -0.000000    9.854784    0.177744
    -0.000000    0.000000   14.164513
   Si   O    H 
    32    64    10
Direct configuration=  1177
   0.17045946  0.17183059 -0.02719811
   0.37869160  0.08697378  0.38289996
   0.11847631  0.40662782  0.11710448
   0.35132835  0.32939937  0.25046978
   0.10860596  0.15946888  0.47924126
   0.42185148  0.15597562  0.85532828
   0.10936098  0.39885952  0.61659854
   0.34463638  0.40169568  0.75665024
   0.11607801  0.68324641  0.00480767
   0.40150128  0.56358349  0.37026096
   0.05076203  0.88606029  0.15580418
   0.33595119  0.82809738  0.25844236
   0.16790782  0.67000127  0.50133620
   0.34868189  0.65639592  0.87662418
   0.06531108  0.91928027  0.62198180
   0.32264708  1.00086461  0.70765716
   0.64924134  0.16026041  1.00361264
   0.85589600  0.12645832  0.37045631
   0.58387195  0.41725750  0.12186831
   0.84761275  0.31076371  0.18946680
   0.61478434  0.18992028  0.50589091
   0.89319147  0.12423374  0.87458618
   0.56505641  0.46614424  0.61510539
   0.73936531  0.36744221  0.79415870
   0.61009890  0.66710495  0.00037927
   0.91334302  0.59333058  0.39491367
   0.57079749  0.91296364  0.12752480
   0.80267660  0.84474895  0.27516328
   0.64754971  0.64084062  0.47687603
   0.86424040  0.61980123  0.87959123
   0.59692317  0.93851824  0.64494763
   0.82662390  0.87347191  0.76732259
   0.03337824  0.06492846  0.13883696
   0.33478775  0.17716741  0.28867565
   0.10370447  0.30465910  0.03345723
   0.31944062  0.42776274  0.33637177
   0.50458684  0.37673003  0.21842493
   0.26890499  0.36576512  0.15380302
   0.27094319  0.12917543  0.46274976
   0.01517495  0.16056937  0.39191414
   0.04727380  0.06220476  0.56473802
   0.44687609  0.26777259  0.77709796
   0.10448228  0.30573118  0.52615311
   0.33160648  0.49662534  0.84680600
   0.41042408  0.47633290  0.66442333
   0.19938209  0.34764511  0.71495884
   0.29800480  0.22111456 -0.08549526
   0.05602876  0.15009533  0.89860049
   0.10428795  0.56323744  0.08319770
   0.39615851  0.67567605  0.27574110
   0.05935194  0.82155212  0.05308310
   0.37082851  0.92997217  0.34521835
   0.40282817  0.89058688  0.15625520
   0.17108727  0.82545703  0.23119726
   0.31054023  0.63969750  0.44984260
   0.06498366  0.67813894  0.41280376
   0.14625689  0.54639795  0.57538571
   0.28391078  0.74822510  0.78678287
   0.16075387  0.81683548  0.55662065
   0.38939199  1.01180391  0.81264381
   0.44051154  0.90031857  0.65369123
   0.16478668  0.94845344  0.71523798
   0.27786320  0.68440083 -0.02199850
   0.02404288  0.66837972  0.90876105
   0.62219697  0.07442782  0.09870471
   0.80928211  0.21107398  0.27585586
   0.57712090  0.30291406  0.03819935
   0.92419348  0.44153764  0.35583899
   0.00629350  0.36467450  0.19939694
   0.74185985  0.43203784  0.15885675
   0.76182249  0.20047295  0.44863646
   0.52674627  0.10987640  0.42424683
   0.61674841  0.10023359  0.60258399
   0.83077438  0.22024635  0.78759546
   0.57352366  0.35245057  0.53438206
   0.86499937  0.47161495  0.83859124
   0.95204365  0.40136832  0.66674746
   0.67511784  0.42643767  0.69306316
   0.80881427  0.15447658  0.97272255
   0.56579600  0.10922090  0.91019903
   0.53533852  0.55465328  0.07732080
   0.83816020  0.69438712  0.31478259
   0.61418952  0.81451637  0.04261543
   0.84398118  0.95533510  0.35867319
   0.89888582  0.83292916  0.18731362
   0.64650451  0.87597766  0.22695679
   0.81403625  0.59305091  0.48227126
   0.55631582  0.55550042  0.40388962
   0.58224910  0.61344517  0.57805622
   0.81195645  0.71402357  0.79667456
   0.61919691  0.79618512  0.43369034
   0.88951884  0.95894570  0.85093493
   0.91598017  0.87047509  0.66472825
   0.67911329  0.93553737  0.74103885
   0.76419369  0.62581530  0.97676222
   0.52104137  0.67663761  0.90715123
   0.66094123  0.84735082  0.58574727
   0.65986671  0.88218830  0.45643094
   0.83506851  0.22825758  0.10508891
   1.01490687  0.43762828  0.31909777
   0.34003937  0.13669940  0.64066166
   0.20140398  0.79987695  0.81120034
  -0.05368289  1.08846908  0.10699274
   0.21326581  1.06099223  0.03225023
   0.61816875  0.35480158  0.85461868
   0.87560320  0.40794724  0.61771507
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.736815    0.218387    0.030126
    -0.000000    9.855017    0.178555
    -0.000000    0.000000   14.165494
   Si   O    H 
    32    64    10
Direct configuration=  1178
   0.17064830  0.17184892 -0.02611115
   0.37797707  0.08721296  0.38129759
   0.11915741  0.40630570  0.11649561
   0.35126593  0.32863590  0.24984883
   0.10914515  0.15953961  0.47867562
   0.42165893  0.15579322  0.85454559
   0.11006375  0.39911492  0.61646590
   0.34387777  0.40088888  0.75617265
   0.11848460  0.68315148  0.00480429
   0.40045912  0.56408691  0.37009378
   0.05016263  0.88678278  0.15673463
   0.33706513  0.82910072  0.25859833
   0.16834776  0.66974524  0.50104551
   0.34784805  0.65616443  0.87752968
   0.06471377  0.91962806  0.62148686
   0.32180751  1.00054436  0.70819485
   0.64859071  0.15972964  1.00320082
   0.85620860  0.12653569  0.37084339
   0.58453563  0.41845731  0.12145539
   0.84833100  0.31036560  0.18990691
   0.61431469  0.19082106  0.50565892
   0.89367444  0.12220803  0.87515279
   0.56340469  0.46528609  0.61546345
   0.73958424  0.36840887  0.79479153
   0.61070093  0.66689599  0.00123770
   0.91297114  0.59522638  0.39534614
   0.57087812  0.91250099  0.12756873
   0.80327700  0.84418115  0.27446942
   0.64699613  0.64075564  0.47768491
   0.86386124  0.61977351  0.88105457
   0.59630265  0.93902150  0.64476043
   0.82768429  0.87437564  0.76866922
   0.03433440  0.06378777  0.13729304
   0.33786898  0.17935373  0.28870270
   0.10440595  0.30178444  0.03184614
   0.31912264  0.42926134  0.33736498
   0.50251785  0.37572081  0.21828448
   0.26955881  0.36551062  0.15378832
   0.27117473  0.12786513  0.46312690
   0.01530628  0.15914516  0.39297980
   0.04790948  0.06184898  0.56326301
   0.44570807  0.26771738  0.77786255
   0.10460257  0.30647575  0.52571700
   0.33171115  0.49694861  0.84581604
   0.41216094  0.47597198  0.66425742
   0.19871921  0.34720096  0.71561575
   0.29770057  0.22121912 -0.08555419
   0.05500487  0.15160429  0.89770316
   0.10351262  0.56221143  0.08345571
   0.39661388  0.67660921  0.27548120
   0.05970534  0.82155477  0.05353389
   0.36968635  0.93143571  0.34555586
   0.40212037  0.89046602  0.15522244
   0.17064310  0.82440137  0.23063789
   0.31091143  0.64086361  0.44965351
   0.06443149  0.67784455  0.41401576
   0.14617880  0.54433107  0.57525212
   0.28458003  0.74677884  0.78766265
   0.16208391  0.81593270  0.55673283
   0.38884494  1.01217604  0.81219352
   0.44126743  0.89726139  0.65356916
   0.16462106  0.94836502  0.71425068
   0.27941091  0.68493556 -0.02189420
   0.02408655  0.66872700  0.90779953
   0.62106873  0.07338310  0.09831245
   0.80929413  0.20895521  0.27458061
   0.57996406  0.30286452  0.03745423
   0.92562535  0.44025432  0.35632278
   0.00636615  0.36527880  0.19976078
   0.74232177  0.43236018  0.15663319
   0.76169706  0.20109841  0.44806238
   0.52729252  0.10936048  0.42321158
   0.61712924  0.10014885  0.60191657
   0.82990951  0.21927084  0.78761652
   0.57142602  0.35234299  0.53262164
   0.86472591  0.47103121  0.83863626
   0.95285363  0.40261524  0.66593303
   0.67533171  0.42719285  0.69434583
   0.80941406  0.15199440  0.97231086
   0.56641545  0.10951946  0.90950509
   0.53334514  0.55496079  0.07643412
   0.83791099  0.69402413  0.31553595
   0.61268424  0.81522833  0.04196358
   0.84478673  0.95478330  0.35872187
   0.89848352  0.83286964  0.18817350
   0.64754852  0.87539464  0.22590732
   0.81316696  0.59193350  0.48205760
   0.55623428  0.55461686  0.40434032
   0.58419728  0.61329644  0.57716306
   0.81236758  0.71293402  0.79749575
   0.61822086  0.79536703  0.43592859
   0.88910718  0.95848817  0.85149726
   0.91487062  0.87166877  0.66446137
   0.67997168  0.93622738  0.74154622
   0.76454302  0.62489900  0.97600969
   0.52160818  0.67579163  0.90683432
   0.65859001  0.84293710  0.58609241
   0.65804934  0.88827744  0.44790642
   0.83903138  0.23361903  0.10548624
   1.00638057  0.43122822  0.32181925
   0.33440898  0.13926460  0.64145343
   0.19724464  0.79496048  0.80641960
  -0.04637014  1.08247692  0.10653472
   0.21407556  1.06318255  0.03233351
   0.61994947  0.35100563  0.86173418
   0.87893289  0.40780178  0.61820139
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.738723    0.221634    0.029167
    -0.000000    9.855621    0.179569
    -0.000000    0.000000   14.166800
   Si   O    H 
    32    64    10
Direct configuration=  1179
   0.17085660  0.17233014 -0.02498446
   0.37733859  0.08676112  0.37974810
   0.11930703  0.40598988  0.11565315
   0.35159905  0.32815040  0.24896151
   0.11020878  0.15918669  0.47867999
   0.42093457  0.15566285  0.85398890
   0.11089211  0.39853564  0.61685368
   0.34316122  0.40045912  0.75545236
   0.12016950  0.68258194  0.00467770
   0.39934060  0.56528459  0.36963644
   0.04890016  0.88791075  0.15718579
   0.33757702  0.83041312  0.25825560
   0.16871871  0.66940261  0.50082793
   0.34712839  0.65591170  0.87818404
   0.06459836  0.91999946  0.62146485
   0.32100605  1.00039961  0.70855412
   0.64862262  0.16021907  1.00277227
   0.85609864  0.12667596  0.37095359
   0.58502769  0.41937059  0.12116987
   0.84872879  0.31031189  0.18999971
   0.61420081  0.19147023  0.50568808
   0.89440546  0.12042174  0.87556935
   0.56147125  0.46435976  0.61572677
   0.74017907  0.36954419  0.79607534
   0.61088594  0.66687884  0.00192267
   0.91285422  0.59684550  0.39498453
   0.57090002  0.91221330  0.12734450
   0.80410488  0.84347029  0.27424002
   0.64677644  0.64137996  0.47808194
   0.86366974  0.62010045  0.88248612
   0.59622969  0.93963388  0.64409932
   0.82876419  0.87564415  0.76961926
   0.03688688  0.06204476  0.13644113
   0.34123726  0.18137086  0.28879871
   0.10533269  0.29971370  0.03041490
   0.31878054  0.43048626  0.33796309
   0.50081109  0.37442680  0.21822545
   0.27101912  0.36571809  0.15424475
   0.27149340  0.12658008  0.46347026
   0.01489030  0.15791759  0.39382764
   0.04796096  0.06148993  0.56166980
   0.44555870  0.26875159  0.77835373
   0.10482684  0.30770816  0.52538930
   0.33234159  0.49739622  0.84511066
   0.41432405  0.47601786  0.66395443
   0.19819343  0.34732105  0.71563904
   0.29795331  0.22156221 -0.08525998
   0.05382796  0.15302031  0.89672462
   0.10243194  0.56178393  0.08327932
   0.39627091  0.67705193  0.27534441
   0.06066644  0.82167456  0.05381963
   0.36861127  0.93226893  0.34616004
   0.40131615  0.89025417  0.15387901
   0.17012004  0.82367680  0.23071631
   0.31148719  0.64160108  0.45004306
   0.06307765  0.67662041  0.41460990
   0.14548855  0.54279262  0.57510398
   0.28493132  0.74601762  0.78875727
   0.16282349  0.81551857  0.55706491
   0.38768703  1.01199614  0.81138882
   0.44168742  0.89456805  0.65359246
   0.16453751  0.94839434  0.71305159
   0.27978392  0.68611795 -0.02171996
   0.02449311  0.66887915  0.90680704
   0.61970416  0.07115922  0.09832490
   0.80928027  0.20692028  0.27386555
   0.58173832  0.30350074  0.03638174
   0.92604740  0.43986891  0.35724203
   0.00678320  0.36554833  0.20023259
   0.74218805  0.43361474  0.15472626
   0.76123797  0.20171116  0.44725016
   0.52783637  0.10913947  0.42270220
   0.61733960  0.10006384  0.60152826
   0.82906502  0.21874438  0.78790465
   0.56989878  0.35046312  0.53122898
   0.86403588  0.47025306  0.83890219
   0.95431622  0.40370972  0.66512772
   0.67590050  0.42884235  0.69572398
   0.80981894  0.14927159  0.97194843
   0.56656985  0.10948467  0.90871832
   0.53167448  0.55630654  0.07552706
   0.83697579  0.69318927  0.31612642
   0.61122992  0.81617405  0.04168219
   0.84554220  0.95477843  0.35874597
   0.89851777  0.83365097  0.18816709
   0.64925913  0.87483274  0.22561136
   0.81162195  0.59118610  0.48175869
   0.55672993  0.55366206  0.40471222
   0.58660315  0.61325053  0.57622096
   0.81225625  0.71295614  0.79825256
   0.61756314  0.79549150  0.43807695
   0.88876757  0.95826531  0.85231526
   0.91444401  0.87282915  0.66426610
   0.68204383  0.93746175  0.74195082
   0.76582187  0.62446106  0.97526821
   0.52093641  0.67448861  0.90650266
   0.66128537  0.83735344  0.58647458
   0.65982770  0.88270184  0.43919813
   0.84447424  0.23706293  0.10499195
   1.00890209  0.41956696  0.31811708
   0.32836192  0.13052344  0.64704454
   0.19957405  0.78977056  0.80009446
  -0.05659909  1.07846630  0.10051136
   0.21835809  1.06039276  0.03325176
   0.62560043  0.34592401  0.86536290
   0.88417009  0.40936656  0.62053054
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.740567    0.224746    0.027880
    -0.000000    9.856353    0.180428
    -0.000000    0.000000   14.168215
   Si   O    H 
    32    64    10
Direct configuration=  1180
   0.17027001  0.17255347 -0.02390298
   0.37695803  0.08616727  0.37922926
   0.11977565  0.40581576  0.11549491
   0.35176009  0.32822521  0.24798586
   0.11121880  0.15873348  0.47932565
   0.42042738  0.15516082  0.85349161
   0.11098585  0.39724115  0.61746312
   0.34228466  0.40010458  0.75452640
   0.12144758  0.68233288  0.00411155
   0.39835673  0.56548657  0.36893728
   0.04733253  0.88895755  0.15794224
   0.33766534  0.83162455  0.25751673
   0.16926686  0.66932679  0.50043439
   0.34594508  0.65562350  0.87889913
   0.06452623  0.92087029  0.62129654
   0.32038706  1.00002509  0.70847681
   0.64871296  0.16044095  1.00263661
   0.85551048  0.12658073  0.37080713
   0.58492209  0.41991670  0.12073308
   0.84936779  0.31017469  0.18978335
   0.61423991  0.19272617  0.50580473
   0.89521758  0.11860269  0.87568285
   0.55933315  0.46362171  0.61591044
   0.74077637  0.37008336  0.79729934
   0.61129522  0.66671540  0.00245499
   0.91303293  0.59821365  0.39432099
   0.57043514  0.91242301  0.12719307
   0.80399398  0.84311810  0.27421317
   0.64677401  0.64217739  0.47789353
   0.86469747  0.61967976  0.88369177
   0.59624524  0.94035325  0.64309789
   0.83013981  0.87685182  0.77045621
   0.03951674  0.06015558  0.13562433
   0.34447086  0.18269835  0.28844183
   0.10585683  0.29750307  0.02922004
   0.31890860  0.43160643  0.33829243
   0.49890672  0.37352813  0.21800785
   0.27218295  0.36532530  0.15388462
   0.27300373  0.12401291  0.46400927
   0.01477437  0.15695466  0.39380624
   0.04766106  0.06090457  0.55978347
   0.44574310  0.27020403  0.77852924
   0.10501595  0.30844694  0.52459685
   0.33227951  0.49857266  0.84532373
   0.41665761  0.47573436  0.66422289
   0.19851981  0.34758113  0.71568064
   0.29744507  0.22197360 -0.08509171
   0.05285576  0.15431360  0.89564030
   0.10236582  0.56195342  0.08337723
   0.39576362  0.67674587  0.27517538
   0.06062631  0.82217851  0.05403743
   0.36736165  0.93235823  0.34603940
   0.40125373  0.88972432  0.15274302
   0.16957227  0.82375034  0.23082636
   0.31142810  0.64244582  0.45071399
   0.06049797  0.67457372  0.41555008
   0.14465726  0.54186951  0.57519635
   0.28699061  0.74461782  0.78938483
   0.16415439  0.81435005  0.55706221
   0.38694526  1.01101863  0.81062000
   0.44169328  0.89253964  0.65388882
   0.16451857  0.94793530  0.71156891
   0.28040261  0.68791304 -0.02175359
   0.02516125  0.66920955  0.90595885
   0.61876811  0.06797395  0.09840058
   0.80992431  0.20540221  0.27325890
   0.58297588  0.30375242  0.03548176
   0.92662048  0.43939390  0.35833060
   0.00828979  0.36590904  0.20076699
   0.74233902  0.43468952  0.15335941
   0.76099806  0.20349671  0.44675080
   0.52873322  0.10851309  0.42243341
   0.61824392  0.09914266  0.60084274
   0.82804955  0.21801790  0.78789043
   0.56871850  0.34877159  0.52970660
   0.86311217  0.46948451  0.83894083
   0.95563141  0.40487656  0.66435665
   0.67721543  0.43050613  0.69697309
   0.80932181  0.14662642  0.97205426
   0.56692113  0.11006749  0.90753247
   0.53019433  0.55728651  0.07431670
   0.83613545  0.69269299  0.31700063
   0.60974058  0.81789473  0.04153895
   0.84568298  0.95530319  0.35864716
   0.89856151  0.83442630  0.18820446
   0.65136610  0.87410537  0.22528112
   0.80925378  0.59044622  0.48158188
   0.55759497  0.55237732  0.40447789
   0.58768187  0.61316616  0.57575050
   0.81158972  0.71382836  0.79875838
   0.61728770  0.79564645  0.43979887
   0.88841678  0.95883068  0.85285964
   0.91528103  0.87473916  0.66421557
   0.68395937  0.93922301  0.74230324
   0.76734906  0.62390013  0.97503576
   0.51904049  0.67379255  0.90517435
   0.66496070  0.83353412  0.58706424
   0.66535862  0.87651668  0.43237218
   0.84879831  0.23901134  0.10155515
   1.00879477  0.40513359  0.31308493
   0.32305837  0.11802045  0.65359295
   0.19122027  0.78828846  0.79550648
  -0.05460395  1.07690153  0.10091321
   0.22279152  1.05441338  0.03474624
   0.63186123  0.34814354  0.86630455
   0.88475654  0.41013402  0.61853905
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.742399    0.227726    0.026507
    -0.000000    9.857370    0.180484
    -0.000000    0.000000   14.169745
   Si   O    H 
    32    64    10
Direct configuration=  1181
   0.16992339  0.17254405 -0.02286535
   0.37746911  0.08603191  0.37862575
   0.11966873  0.40620280  0.11539985
   0.35197358  0.32851330  0.24732832
   0.11160604  0.15854951  0.48029198
   0.41955158  0.15465794  0.85304133
   0.11089207  0.39562070  0.61784588
   0.34107634  0.39966006  0.75354216
   0.12257601  0.68189170  0.00378352
   0.39669671  0.56564622  0.36806838
   0.04604138  0.89000100  0.15830649
   0.33764704  0.83305588  0.25693758
   0.16955898  0.66887229  0.50023923
   0.34563689  0.65492155  0.87981516
   0.06477616  0.92156418  0.62103296
   0.32027702  0.99891198  0.70810864
   0.64932229  0.16053943  1.00247855
   0.85542639  0.12615532  0.37043684
   0.58465721  0.41997325  0.12006751
   0.85004541  0.31064019  0.18926025
   0.61442261  0.19423107  0.50554029
   0.89637355  0.11690738  0.87577421
   0.55781761  0.46281313  0.61603524
   0.74121653  0.37061103  0.79822082
   0.61121494  0.66654251  0.00310615
   0.91295857  0.59916507  0.39353186
   0.57010484  0.91253107  0.12731161
   0.80361403  0.84257904  0.27458534
   0.64775300  0.64360664  0.47721879
   0.86553611  0.61934419  0.88519814
   0.59648279  0.94022119  0.64202036
   0.83099421  0.87774457  0.77024707
   0.04157295  0.05877635  0.13521056
   0.34755350  0.18399041  0.28786011
   0.10588957  0.29621451  0.02813622
   0.31857467  0.43247272  0.33917966
   0.49779725  0.37273501  0.21794278
   0.27321864  0.36590680  0.15319908
   0.27393550  0.12116930  0.46469376
   0.01403497  0.15636845  0.39314288
   0.04725135  0.06050833  0.55815641
   0.44621291  0.27157099  0.77833889
   0.10512526  0.30945913  0.52343134
   0.33193288  0.49961513  0.84535007
   0.41891350  0.47480190  0.66470221
   0.19770537  0.34811741  0.71529451
   0.29726822  0.22221503 -0.08490341
   0.05185213  0.15550984  0.89434179
   0.10222551  0.56151559  0.08311036
   0.39498354  0.67614097  0.27508523
   0.06062167  0.82323442  0.05395263
   0.36548891  0.93217244  0.34561696
   0.40166200  0.88920808  0.15178129
   0.16965697  0.82460677  0.23065107
   0.31101894  0.64258478  0.45134601
   0.05753849  0.67222973  0.41663323
   0.14480117  0.54104124  0.57525693
   0.28850253  0.74358760  0.79017675
   0.16534684  0.81266548  0.55733437
   0.38656038  1.01073167  0.80990659
   0.44168486  0.89184320  0.65457713
   0.16324959  0.94775723  0.71019258
   0.28045243  0.69020740 -0.02175742
   0.02599099  0.66898610  0.90466597
   0.61784585  0.06407725  0.09877663
   0.81090101  0.20379547  0.27253510
   0.58365358  0.30437610  0.03494950
   0.92801201  0.43894738  0.35953958
   0.00986615  0.36732030  0.20112473
   0.74283613  0.43572944  0.15226919
   0.76038965  0.20472067  0.44611485
   0.52938328  0.10830418  0.42209580
   0.61916963  0.09779035  0.60024669
   0.82736101  0.21760093  0.78799925
   0.56703858  0.34738044  0.52901707
   0.86179062  0.46809734  0.83925967
   0.95629886  0.40598034  0.66357280
   0.67812574  0.43197388  0.69772510
   0.80915874  0.14504260  0.97213838
   0.56647683  0.11099683  0.90598026
   0.52839388  0.55884854  0.07309998
   0.83567683  0.69252205  0.31755408
   0.60790710  0.81948882  0.04150877
   0.84621885  0.95636742  0.35817783
   0.89832752  0.83622220  0.18793442
   0.65321692  0.87326112  0.22490676
   0.80665022  0.58996237  0.48151614
   0.55866921  0.55091344  0.40455748
   0.58869423  0.61269041  0.57621396
   0.81067852  0.71545629  0.79926697
   0.61683606  0.79567856  0.44111692
   0.88818931  0.95926143  0.85388758
   0.91646863  0.87635798  0.66327646
   0.68544770  0.94154153  0.74299919
   0.76947493  0.62359997  0.97541302
   0.51653968  0.67298110  0.90425328
   0.66627420  0.83891324  0.58766212
   0.67622749  0.87510778  0.42816784
   0.85247121  0.23933489  0.09754380
   0.99814492  0.39970677  0.31221253
   0.31480467  0.11239281  0.65846459
   0.18979383  0.78196078  0.78955277
  -0.04292908  1.07615324  0.10489229
   0.22717662  1.05021449  0.03306287
   0.63682565  0.35560811  0.86928393
   0.88011668  0.41386025  0.61669442
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.744312    0.231075    0.024758
    -0.000000    9.857911    0.180482
    -0.000000    0.000000   14.171203
   Si   O    H 
    32    64    10
Direct configuration=  1182
   0.16980159  0.17215580 -0.02197209
   0.37793710  0.08604809  0.37834442
   0.11967443  0.40709619  0.11545101
   0.35265425  0.32927245  0.24712812
   0.11269330  0.15865378  0.48114204
   0.41879303  0.15413007  0.85290129
   0.11065965  0.39430417  0.61852757
   0.34049237  0.39936402  0.75297038
   0.12347015  0.68185375  0.00329133
   0.39538192  0.56576904  0.36789820
   0.04453027  0.89071443  0.15878447
   0.33734026  0.83502212  0.25615746
   0.16985653  0.66820714  0.50013940
   0.34486448  0.65465486  0.88033215
   0.06436855  0.92230867  0.62034080
   0.32056743  0.99718388  0.70761827
   0.64960781  0.16051355  1.00245998
   0.85565250  0.12561250  0.36970273
   0.58433520  0.41952863  0.11954445
   0.85089968  0.31158694  0.18842807
   0.61417856  0.19546368  0.50509040
   0.89701829  0.11675236  0.87616492
   0.55670626  0.46270096  0.61625294
   0.74211452  0.37113298  0.79862534
   0.61055435  0.66630027  0.00304560
   0.91290193  0.60009253  0.39240889
   0.56953942  0.91238089  0.12759237
   0.80313946  0.84240147  0.27528536
   0.64843238  0.64491341  0.47670734
   0.86653222  0.61867942  0.88645259
   0.59670156  0.93979071  0.64111433
   0.83131876  0.87850050  0.76981588
   0.04369580  0.05752324  0.13487508
   0.35049758  0.18512430  0.28785585
   0.10603571  0.29556352  0.02729734
   0.31850822  0.43380902  0.33966373
   0.49833620  0.37172132  0.21731154
   0.27388659  0.36623551  0.15288254
   0.27398069  0.11827888  0.46526530
   0.01336395  0.15557802  0.39225373
   0.04671372  0.06091789  0.55689537
   0.44728113  0.27292975  0.77787912
   0.10499074  0.30959597  0.52243106
   0.33151618  0.50003359  0.84522931
   0.42026011  0.47410121  0.66558600
   0.19687962  0.34876760  0.71444899
   0.29694521  0.22281472 -0.08527918
   0.05088569  0.15614610  0.89287459
   0.10191386  0.56074147  0.08203406
   0.39408901  0.67510199  0.27561759
   0.06101213  0.82384721  0.05373344
   0.36368279  0.93091232  0.34508398
   0.40250897  0.88902874  0.15077163
   0.16893936  0.82643447  0.23027442
   0.31138016  0.64231740  0.45141638
   0.05510989  0.67062157  0.41752880
   0.14515833  0.54094378  0.57519978
   0.28893619  0.74349977  0.79160755
   0.16608940  0.81141786  0.55755826
   0.38633766  1.00954802  0.80935335
   0.44103269  0.89097210  0.65584347
   0.16194747  0.94802915  0.70896309
   0.28017847  0.69270336 -0.02166377
   0.02706706  0.66873667  0.90357184
   0.61663640  0.06048516  0.09903238
   0.81044738  0.20226691  0.27152521
   0.58404126  0.30563355  0.03466329
   0.92981542  0.43839465  0.36034604
   0.01105551  0.36800900  0.20114088
   0.74251166  0.43704870  0.15109126
   0.75978652  0.20578904  0.44560074
   0.52973407  0.10857446  0.42238752
   0.61943301  0.09625776  0.59922997
   0.82669018  0.21689598  0.78864220
   0.56638647  0.34603717  0.52866685
   0.86045666  0.46687505  0.83962350
   0.95763054  0.40784330  0.66276782
   0.67951395  0.43358169  0.69836608
   0.80885890  0.14293983  0.97231097
   0.56539469  0.11110827  0.90527860
   0.52713640  0.56097061  0.07195279
   0.83405219  0.69327142  0.31836437
   0.60548678  0.82116916  0.04096552
   0.84591490  0.95804337  0.35825593
   0.89797727  0.83806191  0.18727162
   0.65559314  0.87289424  0.22527952
   0.80494395  0.58990756  0.48155682
   0.55928309  0.54984999  0.40413994
   0.58949561  0.61202097  0.57706102
   0.80965566  0.71764460  0.79977801
   0.61650828  0.79622847  0.44275005
   0.88835018  0.95970023  0.85545175
   0.91801778  0.87749467  0.66269490
   0.68617028  0.94432215  0.74353935
   0.77115358  0.62262230  0.97640503
   0.51468530  0.67296110  0.90319597
   0.67382267  0.84518008  0.58687200
   0.68377258  0.86899534  0.42594228
   0.85808526  0.23450255  0.09667634
   0.98238499  0.39902338  0.31474520
   0.30845116  0.12078454  0.65766249
   0.19667398  0.77015327  0.78330834
  -0.04601599  1.08178385  0.10638823
   0.23009986  1.04876686  0.02969790
   0.63750700  0.36166809  0.87159160
   0.88321077  0.41642886  0.61669639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.746289    0.234527    0.022747
    -0.000000    9.858381    0.180273
    -0.000000    0.000000   14.172185
   Si   O    H 
    32    64    10
Direct configuration=  1183
   0.16948094  0.17140183 -0.02134790
   0.37851662  0.08628528  0.37807847
   0.11936651  0.40672480  0.11554491
   0.35346473  0.32981789  0.24697226
   0.11358113  0.15893852  0.48230308
   0.41882406  0.15295841  0.85307568
   0.10998367  0.39308170  0.61929228
   0.34077002  0.39864142  0.75240674
   0.12391305  0.68171304  0.00337494
   0.39506284  0.56644759  0.36765036
   0.04327422  0.89136036  0.15944619
   0.33741191  0.83637986  0.25560199
   0.16945736  0.66718959  0.50031960
   0.34474189  0.65363229  0.88065233
   0.06342820  0.92306005  0.61949758
   0.32068724  0.99497799  0.70696750
   0.64990708  0.16063872  1.00228467
   0.85583464  0.12484205  0.36907908
   0.58356197  0.41941409  0.11912897
   0.85152704  0.31280024  0.18793643
   0.61339764  0.19637138  0.50433306
   0.89707092  0.11734873  0.87649631
   0.55622320  0.46219351  0.61695116
   0.74360007  0.37176436  0.79877839
   0.61032423  0.66677804  0.00261342
   0.91246009  0.60028080  0.39115832
   0.56903294  0.91163348  0.12794344
   0.80226484  0.84247413  0.27586981
   0.64926924  0.64556059  0.47595584
   0.86767436  0.61853064  0.88745972
   0.59739980  0.93904868  0.64029491
   0.83123474  0.87890733  0.76924651
   0.04561984  0.05547899  0.13473270
   0.35328463  0.18561079  0.28827277
   0.10531417  0.29604598  0.02677456
   0.31800989  0.43446333  0.34001886
   0.49965123  0.37142880  0.21634240
   0.27406976  0.36639996  0.15242971
   0.27322399  0.11647124  0.46554040
   0.01214399  0.15521029  0.39111323
   0.04644236  0.06039262  0.55640743
   0.44822314  0.27418236  0.77740058
   0.10544976  0.30958002  0.52169082
   0.33160004  0.50034548  0.84467421
   0.42081391  0.47348214  0.66652331
   0.19649213  0.34959416  0.71303507
   0.29762192  0.22344487 -0.08496760
   0.05164260  0.15594242  0.89202588
   0.10143160  0.56094047  0.08139547
   0.39290603  0.67448680  0.27631802
   0.06244324  0.82409674  0.05345959
   0.36211821  0.93010074  0.34450013
   0.40403767  0.88937088  0.14972363
   0.16792410  0.82756152  0.22977735
   0.31183317  0.64222933  0.45080898
   0.05327256  0.66915199  0.41861441
   0.14557225  0.54117262  0.57538687
   0.28975231  0.74426229  0.79360776
   0.16585287  0.80989594  0.55795203
   0.38636178  1.00880899  0.80865642
   0.44105896  0.88997284  0.65678222
   0.16048230  0.94787681  0.70759589
   0.28052583  0.69473489 -0.02168806
   0.02789329  0.66820878  0.90328984
   0.61484253  0.05756386  0.09858728
   0.81088793  0.20038938  0.27014708
   0.58496839  0.30657657  0.03412784
   0.93049086  0.43878911  0.36173986
   0.01166194  0.36862317  0.20096309
   0.74226183  0.43785997  0.15045833
   0.75944702  0.20675421  0.44543711
   0.53058288  0.10954601  0.42251072
   0.61927963  0.09548351  0.59830508
   0.82579963  0.21610785  0.78931318
   0.56553703  0.34431271  0.52877048
   0.85936467  0.46597936  0.83989212
   0.95862759  0.40970146  0.66203358
   0.68156132  0.43495318  0.69852278
   0.80825800  0.14148435  0.97237035
   0.56483182  0.11169879  0.90534168
   0.52731620  0.56253424  0.07033274
   0.83255301  0.69404249  0.31856612
   0.60332972  0.82299358  0.03974233
   0.84543088  0.95959450  0.35830933
   0.89780971  0.84015271  0.18659086
   0.65786443  0.87304926  0.22591816
   0.80317253  0.58955747  0.48156347
   0.55934376  0.54950037  0.40312381
   0.59068400  0.61182761  0.57747113
   0.80920258  0.71941153  0.80016785
   0.61608929  0.79737656  0.44362506
   0.88811975  0.95946300  0.85720010
   0.91912730  0.87754690  0.66260293
   0.68631149  0.94635591  0.74399443
   0.77182438  0.62179885  0.97798902
   0.51224239  0.67293951  0.90231607
   0.68172654  0.84895466  0.58544112
   0.68925678  0.86127894  0.42559825
   0.86135225  0.22908831  0.10053148
   0.98029348  0.39805468  0.31074590
   0.30310767  0.13276577  0.65505379
   0.19520929  0.76199575  0.77940498
  -0.04798280  1.08834806  0.10771498
   0.23013869  1.04848335  0.02666090
   0.63268279  0.37286175  0.87172896
   0.88662689  0.42060202  0.61742434
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.748251    0.237599    0.020423
    -0.000000    9.859527    0.179831
    -0.000000    0.000000   14.173123
   Si   O    H 
    32    64    10
Direct configuration=  1184
   0.16922359  0.17011048 -0.02137187
   0.37893558  0.08628070  0.37821221
   0.11916137  0.40598664  0.11541514
   0.35420063  0.33096884  0.24643565
   0.11411782  0.15926115  0.48299360
   0.41910498  0.15210704  0.85336985
   0.10949914  0.39214769  0.61986885
   0.34073394  0.39776294  0.75216854
   0.12358060  0.68206373  0.00350741
   0.39491350  0.56789585  0.36773947
   0.04302173  0.89134415  0.15990657
   0.33787364  0.83723610  0.25469143
   0.16915622  0.66679217  0.50082552
   0.34562608  0.65287164  0.88061095
   0.06228904  0.92379304  0.61866565
   0.32096172  0.99294020  0.70587459
   0.64969440  0.16067128  1.00197068
   0.85551728  0.12421725  0.36837667
   0.58279868  0.41940627  0.11891844
   0.85160267  0.31383407  0.18703364
   0.61221933  0.19637593  0.50348781
   0.89804412  0.11833250  0.87661821
   0.55649435  0.46167571  0.61731820
   0.74472738  0.37179293  0.79912423
   0.60953181  0.66706558  0.00213840
   0.91277081  0.59971981  0.39022189
   0.56837215  0.91048538  0.12843313
   0.80068525  0.84302970  0.27620823
   0.64971782  0.64588869  0.47487848
   0.86829598  0.61824113  0.88800261
   0.59857536  0.93760328  0.64016432
   0.83126280  0.87915177  0.76864229
   0.04716221  0.05370637  0.13434275
   0.35557041  0.18511199  0.28832566
   0.10488831  0.29687173  0.02688923
   0.31716913  0.43418058  0.34028225
   0.50212319  0.37154504  0.21490205
   0.27371997  0.36761358  0.15251005
   0.27257838  0.11453704  0.46534604
   0.01163229  0.15459269  0.38967643
   0.04620608  0.05979776  0.55616106
   0.44883150  0.27582503  0.77674395
   0.10596751  0.30979999  0.52073638
   0.33228316  0.50046651  0.84356948
   0.41942882  0.47352381  0.66724841
   0.19700050  0.34983277  0.71123413
   0.29829146  0.22373727 -0.08444878
   0.05265283  0.15615162  0.89143737
   0.10116659  0.56101301  0.08082681
   0.39163574  0.67415469  0.27677698
   0.06387827  0.82444053  0.05305080
   0.36013100  0.92951628  0.34425758
   0.40451240  0.88981490  0.14875972
   0.16722237  0.82879975  0.22916214
   0.31218626  0.64194137  0.44999894
   0.05140374  0.66816161  0.42001253
   0.14599199  0.54120723  0.57562242
   0.28979773  0.74513025  0.79495284
   0.16510353  0.80864544  0.55787795
   0.38603974  1.00853356  0.80870738
   0.44097463  0.89000127  0.65796007
   0.15906726  0.94809957  0.70638697
   0.28084096  0.69619849 -0.02166418
   0.02872225  0.66694199  0.90310188
   0.61357805  0.05690769  0.09769995
   0.81145185  0.19864914  0.26834804
   0.58705967  0.30673158  0.03358782
   0.93146365  0.43952302  0.36282816
   0.01234541  0.36942770  0.20071040
   0.74229536  0.43791108  0.15014524
   0.75975962  0.20665690  0.44553893
   0.53039734  0.11042771  0.42273792
   0.61858776  0.09482592  0.59719240
   0.82447974  0.21608838  0.78958954
   0.56460030  0.34282328  0.52921546
   0.85827977  0.46504166  0.84036991
   0.95869914  0.41192500  0.66114590
   0.68313281  0.43596438  0.69808480
   0.80824616  0.14044657  0.97243499
   0.56463212  0.11232810  0.90621506
   0.52788688  0.56312874  0.06884178
   0.83026954  0.69497430  0.31851337
   0.60255632  0.82357533  0.03816511
   0.84439678  0.96002241  0.35795161
   0.89738047  0.84228670  0.18603561
   0.65946267  0.87314179  0.22652360
   0.80163818  0.58914473  0.48120779
   0.55892052  0.54985394  0.40167442
   0.59153084  0.61177541  0.57804291
   0.80907653  0.72225304  0.80092594
   0.61507649  0.79800217  0.44439001
   0.88822978  0.95924235  0.85888090
   0.92048521  0.87717439  0.66173402
   0.68697845  0.94887675  0.74452158
   0.77211949  0.62108520  0.97927747
   0.51011516  0.67172772  0.90128597
   0.68819892  0.85348542  0.58679899
   0.69111914  0.85226097  0.42723852
   0.86076250  0.22436956  0.10763866
   0.98244098  0.40061914  0.30217262
   0.30242530  0.14188993  0.65282051
   0.19551599  0.75325904  0.77702115
  -0.04269509  1.09406938  0.10940339
   0.22623088  1.05244620  0.02423295
   0.62938068  0.38415754  0.87046093
   0.88249416  0.42812646  0.61571709
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.750237    0.241174    0.018029
    -0.000000    9.860613    0.179090
    -0.000000    0.000000   14.173877
   Si   O    H 
    32    64    10
Direct configuration=  1185
   0.16826499  0.16933136 -0.02165082
   0.37898292  0.08650177  0.37886674
   0.11880733  0.40560188  0.11528568
   0.35426027  0.33170550  0.24613688
   0.11427350  0.15970716  0.48374764
   0.41980634  0.15168322  0.85366004
   0.10867072  0.39103336  0.62025718
   0.34073804  0.39741646  0.75199099
   0.12306543  0.68192423  0.00392253
   0.39467058  0.56933127  0.36747610
   0.04391288  0.89171294  0.15977955
   0.33803536  0.83788622  0.25347998
   0.16909077  0.66623968  0.50194172
   0.34701233  0.65200559  0.88064857
   0.06172267  0.92457408  0.61818986
   0.32129490  0.99103104  0.70487648
   0.64996074  0.16087134  1.00163896
   0.85420042  0.12413683  0.36782906
   0.58166907  0.41905260  0.11893790
   0.85174381  0.31451712  0.18627391
   0.61088892  0.19565267  0.50247335
   0.89872273  0.11947648  0.87682727
   0.55728036  0.46116841  0.61791755
   0.74612183  0.37143659  0.79938692
   0.60855618  0.66804987  0.00103126
   0.91334782  0.59861260  0.38964564
   0.56786370  0.90859171  0.12872317
   0.79863019  0.84388378  0.27661510
   0.64971084  0.64598052  0.47386399
   0.86837411  0.61819555  0.88850354
   0.59986051  0.93647762  0.63996972
   0.83146242  0.87952967  0.76817840
   0.04883468  0.05312325  0.13351176
   0.35730206  0.18386014  0.28834050
   0.10429508  0.29782058  0.02818513
   0.31557365  0.43444000  0.34022813
   0.50493960  0.37255252  0.21351563
   0.27339050  0.36891604  0.15300642
   0.27169696  0.11314631  0.46480869
   0.01239947  0.15511503  0.38828139
   0.04629324  0.05980445  0.55553105
   0.44921552  0.27677067  0.77654547
   0.10708090  0.30981883  0.52055851
   0.33301930  0.50015748  0.84283297
   0.41772637  0.47322088  0.66790370
   0.19773270  0.35010296  0.70927703
   0.30060786  0.22265743 -0.08389886
   0.05370763  0.15646874  0.89073555
   0.10137126  0.56123682  0.08029714
   0.39064829  0.67407728  0.27756563
   0.06655680  0.82464224  0.05263293
   0.35851635  0.92945001  0.34402148
   0.40475523  0.89102007  0.14807575
   0.16706552  0.83076105  0.22932342
   0.31257940  0.64198105  0.44926674
   0.05015318  0.66752495  0.42137430
   0.14737022  0.54134577  0.57603159
   0.29064080  0.74525878  0.79554225
   0.16457771  0.80772019  0.55788912
   0.38590427  1.00793515  0.80916240
   0.43994249  0.89018553  0.65848937
   0.15828020  0.94820070  0.70608479
   0.27984313  0.69673647 -0.02106033
   0.03000973  0.66599331  0.90300917
   0.61292484  0.05630746  0.09697242
   0.81286488  0.19734578  0.26707269
   0.58920154  0.30730167  0.03279468
   0.93219737  0.44024556  0.36352647
   0.01276231  0.37080406  0.20030233
   0.74228010  0.43741677  0.14976815
   0.76070170  0.20670558  0.44624073
   0.53025190  0.11106500  0.42258770
   0.61795577  0.09335012  0.59576190
   0.82266877  0.21557162  0.78964259
   0.56339029  0.34263960  0.53044269
   0.85784734  0.46477473  0.84143733
   0.95812575  0.41383345  0.66095241
   0.68473260  0.43703676  0.69710739
   0.80785951  0.14003101  0.97349285
   0.56457789  0.11314436  0.90725690
   0.52835438  0.56274522  0.06784437
   0.82813613  0.69597332  0.31800671
   0.60157451  0.82339886  0.03674422
   0.84365950  0.96048009  0.35814242
   0.89678258  0.84421237  0.18611645
   0.66042404  0.87332357  0.22683422
   0.80100996  0.58898980  0.48088982
   0.55826580  0.55043192  0.40066372
   0.59200593  0.61133007  0.57838585
   0.80964342  0.72379953  0.80205182
   0.61369819  0.79847099  0.44455917
   0.88841611  0.95912742  0.86010462
   0.92124921  0.87733454  0.66137967
   0.68721608  0.95106982  0.74495220
   0.77201815  0.62065939  0.98092152
   0.50858102  0.67087330  0.90053641
   0.69533265  0.85026664  0.58769606
   0.69695343  0.84935703  0.43055960
   0.86189953  0.22182545  0.11308475
   0.97885176  0.40933856  0.29932626
   0.30292143  0.14307216  0.65367240
   0.19249469  0.74380760  0.77466378
  -0.03255889  1.09720913  0.11134351
   0.22380543  1.05493503  0.02142685
   0.62845337  0.39130096  0.86810430
   0.88333535  0.43519125  0.61770523
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752289    0.244746    0.015656
    -0.000000    9.861995    0.178704
    -0.000000    0.000000   14.174592
   Si   O    H 
    32    64    10
Direct configuration=  1186
   0.16687115  0.16744851 -0.02217074
   0.37948223  0.08600911  0.37983136
   0.11851583  0.40500432  0.11507526
   0.35479163  0.33276677  0.24634229
   0.11420443  0.15981869  0.48420069
   0.42073887  0.15116532  0.85435558
   0.10789132  0.39093068  0.62022287
   0.34115252  0.39762227  0.75246852
   0.12335938  0.68204473  0.00439187
   0.39359057  0.57082099  0.36722167
   0.04497552  0.89207628  0.15944937
   0.33807629  0.83811157  0.25194331
   0.16829689  0.66605527  0.50237875
   0.34893461  0.65104662  0.88051449
   0.06234760  0.92535678  0.61732811
   0.32166908  0.99002826  0.70358938
   0.64989953  0.16079789  1.00152596
   0.85285130  0.12363312  0.36722653
   0.58069594  0.41868038  0.11916340
   0.85246490  0.31478768  0.18585883
   0.60982888  0.19452195  0.50170464
   0.89952630  0.12120698  0.87701270
   0.55848075  0.46105552  0.61858065
   0.74738100  0.37034990  0.79948097
   0.60700845  0.66865814 -0.00037147
   0.91393962  0.59763751  0.38944963
   0.56734705  0.90681318  0.12920406
   0.79649400  0.84512359  0.27707976
   0.64927480  0.64566764  0.47297656
   0.86832260  0.61772933  0.88881377
   0.60125499  0.93523594  0.63967652
   0.83218144  0.88042774  0.76784075
   0.05060652  0.05258430  0.13295444
   0.35861505  0.18229930  0.28763024
   0.10340800  0.29970354  0.02988442
   0.31399683  0.43460586  0.34011159
   0.50779424  0.37377383  0.21237437
   0.27262105  0.36971354  0.15366204
   0.27133723  0.11159876  0.46513956
   0.01352060  0.15449956  0.38734223
   0.04651103  0.06028534  0.55447440
   0.44972040  0.27702973  0.77663009
   0.10820148  0.30934868  0.52079640
   0.33351909  0.49879820  0.84250423
   0.41531415  0.47264780  0.66871875
   0.19841414  0.35032526  0.70734550
   0.30283377  0.22160268 -0.08358867
   0.05528093  0.15640552  0.89061574
   0.10086558  0.56116665  0.07990629
   0.38989221  0.67425770  0.27831380
   0.06850537  0.82549043  0.05148924
   0.35718611  0.92944815  0.34411525
   0.40584254  0.89151673  0.14806134
   0.16725312  0.83230700  0.22977382
   0.31292778  0.64248431  0.44885236
   0.04916041  0.66723446  0.42197312
   0.14924904  0.54182892  0.57607428
   0.29104809  0.74558392  0.79582636
   0.16420713  0.80754965  0.55826918
   0.38591235  1.00753873  0.80957130
   0.43856414  0.89053579  0.65905998
   0.15816165  0.94869567  0.70602240
   0.27873098  0.69731009 -0.02042707
   0.03089166  0.66524850  0.90327025
   0.61206019  0.05652349  0.09616361
   0.81342111  0.19561832  0.26594504
   0.59092636  0.30792348  0.03244885
   0.93342340  0.44082851  0.36397416
   0.01282343  0.37220956  0.20008041
   0.74270006  0.43639430  0.14976443
   0.76192414  0.20613725  0.44677429
   0.53022568  0.11242529  0.42226659
   0.61722338  0.09242841  0.59449581
   0.81976943  0.21570846  0.78981003
   0.56122102  0.34198522  0.53214006
   0.85757050  0.46516518  0.84280304
   0.95715916  0.41504457  0.66120247
   0.68583324  0.43717113  0.69636311
   0.80800962  0.13942599  0.97483193
   0.56436194  0.11391813  0.90731472
   0.52901452  0.56273145  0.06716923
   0.82519644  0.69654011  0.31768283
   0.60085593  0.82313448  0.03563863
   0.84238786  0.96073630  0.35767381
   0.89665258  0.84603049  0.18639981
   0.66041195  0.87329690  0.22667959
   0.80065024  0.58877215  0.48104137
   0.55718995  0.55051651  0.39969806
   0.59296794  0.61208522  0.57871188
   0.80958358  0.72395743  0.80276448
   0.61222421  0.79913032  0.44410782
   0.88915589  0.95847543  0.86098324
   0.92127679  0.87678924  0.66124551
   0.68706627  0.95245656  0.74518739
   0.77141097  0.62028549  0.98276736
   0.50736703  0.67047184  0.90000420
   0.69923996  0.84491084  0.58705851
   0.70020863  0.85064777  0.43453251
   0.86212529  0.21849701  0.11572033
   0.97503469  0.42458244  0.30116655
   0.30470305  0.14011436  0.65899059
   0.19551380  0.73329864  0.77081046
  -0.02998595  1.10665560  0.11254903
   0.22225367  1.05287721  0.02131426
   0.63236967  0.38951908  0.86488735
   0.88927206  0.44567072  0.62213471
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754021    0.248190    0.013119
    -0.000000    9.862839    0.178768
    -0.000000    0.000000   14.175192
   Si   O    H 
    32    64    10
Direct configuration=  1187
   0.16600923  0.16558725 -0.02327839
   0.38014124  0.08523626  0.38092483
   0.11827056  0.40432286  0.11498748
   0.35524557  0.33358147  0.24680435
   0.11400235  0.15972729  0.48418500
   0.42166280  0.15106910  0.85523671
   0.10759162  0.39053092  0.61958112
   0.34118990  0.39773271  0.75302996
   0.12319141  0.68221382  0.00456288
   0.39324414  0.57224912  0.36681294
   0.04656835  0.89213787  0.15886002
   0.33855145  0.83775683  0.25042389
   0.16729747  0.66640314  0.50251061
   0.35022198  0.65012412  0.88078954
   0.06354837  0.92575282  0.61631398
   0.32125509  0.98962934  0.70262715
   0.64982188  0.15981173  1.00123633
   0.85166258  0.12318861  0.36629099
   0.58021846  0.41830936  0.11915945
   0.85249911  0.31522772  0.18548189
   0.60913508  0.19371095  0.50062611
   0.90031181  0.12241418  0.87718992
   0.55991187  0.46089827  0.61901066
   0.74833940  0.36957667  0.79936834
   0.60609203  0.66950098 -0.00246764
   0.91408494  0.59640493  0.38966891
   0.56677558  0.90543491  0.12987113
   0.79531732  0.84649618  0.27757114
   0.64870299  0.64513514  0.47213779
   0.86812471  0.61804295  0.88930038
   0.60315811  0.93397939  0.63954323
   0.83244328  0.88216290  0.76746233
   0.05196440  0.05250020  0.13156003
   0.35952790  0.18105909  0.28648481
   0.10219780  0.30185144  0.03068531
   0.31271356  0.43432335  0.33923134
   0.51058803  0.37566462  0.21167708
   0.27227790  0.37063857  0.15348256
   0.27120005  0.11070754  0.46525427
   0.01548547  0.15424021  0.38688871
   0.04661812  0.06060872  0.55378797
   0.45078443  0.27641821  0.77720282
   0.10976363  0.30908923  0.52166668
   0.33414329  0.49731861  0.84193665
   0.41150189  0.47202883  0.66921571
   0.19938133  0.35107480  0.70590537
   0.30495097  0.22121869 -0.08325068
   0.05644126  0.15582564  0.89052911
   0.10083936  0.56095227  0.07954286
   0.38833184  0.67509519  0.27877006
   0.07056576  0.82541708  0.05007610
   0.35662142  0.92939915  0.34432186
   0.40665873  0.89163171  0.14809136
   0.16782646  0.83431801  0.22949876
   0.31357539  0.64250896  0.44850309
   0.04830608  0.66612373  0.42233329
   0.15116330  0.54202298  0.57625343
   0.29036931  0.74635440  0.79605120
   0.16397031  0.80703796  0.55876348
   0.38510154  1.00801211  0.80945416
   0.43834359  0.89098154  0.65898631
   0.15894516  0.94916452  0.70647391
   0.27802010  0.69833367 -0.01994737
   0.03228100  0.66501374  0.90418765
   0.61054151  0.05714693  0.09505798
   0.81385183  0.19406998  0.26487324
   0.59209258  0.30849231  0.03243169
   0.93401746  0.44147739  0.36441158
   0.01241648  0.37314797  0.19978515
   0.74365885  0.43484597  0.14992280
   0.76281955  0.20559949  0.44695151
   0.53008741  0.11427302  0.42140022
   0.61616968  0.09113151  0.59328346
   0.81688556  0.21618518  0.78995974
   0.55931327  0.34179575  0.53382834
   0.85798050  0.46631275  0.84443346
   0.95715944  0.41540235  0.66218589
   0.68618599  0.43734599  0.69494397
   0.80832439  0.13973578  0.97616366
   0.56407087  0.11485612  0.90797731
   0.53018984  0.56228099  0.06700238
   0.82324766  0.69654109  0.31753238
   0.60062176  0.82159051  0.03462612
   0.84094182  0.96087500  0.35684327
   0.89638718  0.84716042  0.18668418
   0.65966010  0.87308538  0.22660981
   0.80179267  0.58805532  0.48068446
   0.55594528  0.55028350  0.39823876
   0.59319651  0.61271620  0.57884035
   0.81017356  0.72397784  0.80390460
   0.61096009  0.80021926  0.44402556
   0.89032695  0.95822028  0.86196235
   0.92072530  0.87593786  0.66084394
   0.68685502  0.95365435  0.74587349
   0.77113789  0.62066084  0.98449940
   0.50728971  0.67024779  0.89938938
   0.69772709  0.84274330  0.58751879
   0.69807460  0.85251189  0.43962447
   0.86797716  0.21287082  0.11591316
   0.97060432  0.43846215  0.30347696
   0.30575186  0.12973110  0.66503187
   0.20402415  0.72830354  0.76802394
  -0.02686236  1.11136569  0.11523937
   0.22211212  1.04408789  0.02543921
   0.63451919  0.38597874  0.86202203
   0.88225086  0.46179039  0.61890172
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.755616    0.251447    0.010899
    -0.000000    9.863444    0.179148
    -0.000000    0.000000   14.175837
   Si   O    H 
    32    64    10
Direct configuration=  1188
   0.16530514  0.16423585 -0.02443953
   0.38102778  0.08382823  0.38217701
   0.11858146  0.40446645  0.11524168
   0.35624909  0.33374798  0.24737836
   0.11368226  0.15980094  0.48413441
   0.42207047  0.15101035  0.85573917
   0.10706981  0.39041590  0.61894036
   0.34122020  0.39788714  0.75374303
   0.12287497  0.68207692  0.00465446
   0.39272368  0.57362153  0.36632992
   0.04821238  0.89230178  0.15822488
   0.33840971  0.83648916  0.24904307
   0.16626491  0.66664967  0.50281573
   0.35077682  0.64965767  0.88148748
   0.06484996  0.92574152  0.61511058
   0.32145952  0.98960567  0.70176322
   0.64973915  0.15890153  1.00108780
   0.85037546  0.12309305  0.36544156
   0.58016156  0.41869038  0.11917548
   0.85228457  0.31561558  0.18533247
   0.60880669  0.19263175  0.49973134
   0.90097984  0.12273782  0.87692455
   0.56179909  0.46065664  0.61897860
   0.74904946  0.36921486  0.79915317
   0.60501316  0.67023800 -0.00454801
   0.91403666  0.59595852  0.38978087
   0.56693901  0.90481509  0.13088788
   0.79518924  0.84801278  0.27818472
   0.64790755  0.64447435  0.47141526
   0.86753245  0.61893571  0.88945654
   0.60444598  0.93322860  0.63976355
   0.83292894  0.88283522  0.76723528
   0.05352849  0.05274273  0.13063622
   0.36039362  0.17959661  0.28609398
   0.10120453  0.30387514  0.03085392
   0.31225480  0.43368545  0.33837141
   0.51253741  0.37667702  0.21170239
   0.27230658  0.37156655  0.15330017
   0.27068409  0.11005329  0.46524740
   0.01755166  0.15348140  0.38684997
   0.04632056  0.06030581  0.55303482
   0.45176783  0.27516354  0.77737676
   0.11188233  0.30860356  0.52224989
   0.33424515  0.49628282  0.84111407
   0.40753447  0.47207332  0.66932379
   0.19992606  0.35083815  0.70538955
   0.30703575  0.22086697 -0.08222239
   0.05826843  0.15544300  0.89072113
   0.10117969  0.56062481  0.07930312
   0.38798141  0.67605818  0.27812483
   0.07251966  0.82541858  0.04902652
   0.35635142  0.92893369  0.34455484
   0.40747979  0.89092318  0.14878929
   0.16900967  0.83627156  0.22902426
   0.31309259  0.64281940  0.44904621
   0.04830197  0.66593367  0.42247971
   0.15311282  0.54326645  0.57677923
   0.28984924  0.74691308  0.79667441
   0.16325528  0.80611807  0.55914767
   0.38415236  1.00808397  0.80901894
   0.43782041  0.89180245  0.65890382
   0.15903282  0.94942788  0.70761482
   0.27901767  0.69798994 -0.01992433
   0.03352846  0.66489056  0.90485766
   0.60920640  0.05793336  0.09438852
   0.81425522  0.19300017  0.26407798
   0.59423696  0.30933970  0.03243492
   0.93401660  0.44289224  0.36420025
   0.01250760  0.37383624  0.19961876
   0.74504428  0.43342194  0.15069526
   0.76345727  0.20430843  0.44694308
   0.52927842  0.11608245  0.42095982
   0.61516165  0.08902842  0.59234147
   0.81496914  0.21619195  0.79018304
   0.55823733  0.34244986  0.53563805
   0.85862409  0.46787006  0.84602427
   0.95683843  0.41572620  0.66328829
   0.68632578  0.43701250  0.69375097
   0.80853306  0.14078229  0.97820865
   0.56468586  0.11541913  0.90958734
   0.53143533  0.56160915  0.06736521
   0.82145820  0.69697221  0.31790802
   0.60067961  0.82065821  0.03349657
   0.83924170  0.96131963  0.35595211
   0.89545373  0.84835588  0.18684996
   0.65790538  0.87304719  0.22608811
   0.80254991  0.58750465  0.48092325
   0.55469064  0.55083949  0.39711120
   0.59311802  0.61316190  0.57962117
   0.81142242  0.72413125  0.80517233
   0.61012428  0.80143931  0.44318209
   0.89096507  0.95811106  0.86246918
   0.91958335  0.87551670  0.66059379
   0.68607608  0.95414742  0.74595982
   0.77137877  0.62097475  0.98625917
   0.50814779  0.67020031  0.89932578
   0.69475251  0.83716741  0.59029224
   0.69089897  0.85602318  0.44583035
   0.86828801  0.21072894  0.11499145
   0.97540823  0.44609986  0.29801251
   0.31031429  0.12066195  0.66998410
   0.20923982  0.72302878  0.76483716
  -0.02967369  1.11311976  0.12042485
   0.22016322  1.03719035  0.02872754
   0.63300162  0.37944696  0.86161679
   0.88766055  0.46990128  0.61891940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757276    0.254993    0.008615
    -0.000000    9.863849    0.179270
    -0.000000    0.000000   14.176991
   Si   O    H 
    32    64    10
Direct configuration=  1189
   0.16454385  0.16327596 -0.02551194
   0.38127552  0.08302348  0.38298634
   0.11899207  0.40531572  0.11515774
   0.35746015  0.33376432  0.24770646
   0.11360026  0.16015782  0.48415389
   0.42286153  0.15176040  0.85642663
   0.10620841  0.39035770  0.61797551
   0.34138680  0.39842354  0.75467894
   0.12172202  0.68196535  0.00493532
   0.39193734  0.57450515  0.36549362
   0.05000005  0.89294569  0.15723462
   0.33831610  0.83558847  0.24802944
   0.16559425  0.66659288  0.50323087
   0.35179098  0.64879071  0.88196943
   0.06597911  0.92549282  0.61431029
   0.32128324  0.98874584  0.70146433
   0.64982587  0.15778557  1.00124481
   0.84952625  0.12257181  0.36524149
   0.58034150  0.41904664  0.11878403
   0.85233022  0.31639225  0.18558316
   0.60853877  0.19153108  0.49900160
   0.90123410  0.12347671  0.87666198
   0.56358395  0.46019886  0.61896231
   0.74954871  0.36847234  0.79860367
   0.60412289  0.67061822 -0.00669695
   0.91360100  0.59629930  0.39009610
   0.56720443  0.90476453  0.13138730
   0.79575547  0.84927839  0.27892526
   0.64662328  0.64377969  0.47069088
   0.86734891  0.62008928  0.88958481
   0.60531651  0.93313204  0.63994934
   0.83277600  0.88313898  0.76662567
   0.05470602  0.05342522  0.13006234
   0.36110629  0.17816170  0.28576816
   0.09980677  0.30587041  0.03059159
   0.31268453  0.43288590  0.33763484
   0.51300415  0.37726270  0.21177169
   0.27208061  0.37182145  0.15270431
   0.26959674  0.10917405  0.46557634
   0.01983863  0.15331644  0.38671961
   0.04541719  0.05908441  0.55291950
   0.45366776  0.27279830  0.77762410
   0.11347845  0.30766510  0.52303269
   0.33445838  0.49554251  0.84096482
   0.40452658  0.47259780  0.66909577
   0.20096945  0.35043110  0.70482565
   0.30839518  0.22072516 -0.08128769
   0.05938050  0.15550006  0.89170983
   0.10158494  0.56030477  0.07911343
   0.38650804  0.67806260  0.27687060
   0.07493650  0.82575542  0.04846031
   0.35625036  0.92887049  0.34412704
   0.40713386  0.89051827  0.14968094
   0.17027604  0.83750103  0.22868193
   0.31187561  0.64306303  0.45040978
   0.04860212  0.66576690  0.42276042
   0.15427787  0.54345336  0.57795322
   0.29041893  0.74787740  0.79762379
   0.16188722  0.80599610  0.55928583
   0.38369367  1.00823698  0.80854072
   0.43773288  0.89296363  0.65767682
   0.15922160  0.94966550  0.70897011
   0.28044624  0.69742887 -0.01977065
   0.03395310  0.66432462  0.90555474
   0.60766256  0.05866888  0.09367933
   0.81466131  0.19180586  0.26429351
   0.59719579  0.31059587  0.03270169
   0.93481646  0.44439936  0.36349015
   0.01287742  0.37512438  0.19977256
   0.74722159  0.43191859  0.15181558
   0.76466953  0.20251048  0.44730378
   0.52777734  0.11722808  0.42015652
   0.61404853  0.08612967  0.59166231
   0.81305913  0.21546804  0.79051047
   0.55800436  0.34346548  0.53723472
   0.85899402  0.46885249  0.84754784
   0.95493328  0.41652905  0.66389708
   0.68635933  0.43684541  0.69275552
   0.80918237  0.14226392  0.98009111
   0.56461648  0.11536991  0.91137489
   0.53362869  0.56078466  0.06795575
   0.81967440  0.69627565  0.31847359
   0.60061662  0.82006939  0.03265428
   0.83733954  0.96194798  0.35508288
   0.89502434  0.84956077  0.18709877
   0.65544074  0.87253348  0.22560084
   0.80365452  0.58750709  0.48062038
   0.55463513  0.55128687  0.39692758
   0.59291644  0.61351028  0.58004708
   0.81281802  0.72449349  0.80627573
   0.60975442  0.80244204  0.44234919
   0.89220306  0.95862689  0.86318302
   0.91891224  0.87446504  0.66105872
   0.68504201  0.95439626  0.74579158
   0.77114255  0.62129376  0.98773906
   0.50994957  0.67048301  0.89914910
   0.68709360  0.82839837  0.59445269
   0.68480031  0.86443800  0.45196192
   0.86577286  0.21307089  0.11135781
   0.98022055  0.44748064  0.29606558
   0.31858766  0.11605996  0.67114160
   0.20897617  0.71437660  0.75956796
  -0.02950654  1.11325901  0.12389896
   0.21948461  1.03266883  0.02905741
   0.62854060  0.37294686  0.86192082
   0.89876130  0.46727606  0.62190234
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758924    0.258142    0.006413
    -0.000000    9.863939    0.179427
    -0.000000    0.000000   14.177906
   Si   O    H 
    32    64    10
Direct configuration=  1190
   0.16431647  0.16259457 -0.02631131
   0.38091896  0.08212167  0.38348714
   0.11999782  0.40547642  0.11566582
   0.35881390  0.33322013  0.24787434
   0.11317873  0.16108121  0.48382207
   0.42368124  0.15238067  0.85713781
   0.10585397  0.39110392  0.61728583
   0.34177990  0.39850078  0.75535519
   0.12078462  0.68169520  0.00520736
   0.39202573  0.57557612  0.36469929
   0.05203033  0.89304099  0.15623516
   0.33789666  0.83421031  0.24742883
   0.16556981  0.66651585  0.50361446
   0.35222325  0.64757376  0.88235990
   0.06817548  0.92491804  0.61382072
   0.32114406  0.98721563  0.70152180
   0.64938816  0.15631441  1.00187746
   0.84935468  0.12308724  0.36431837
   0.58132650  0.41968267  0.11794889
   0.85242587  0.31711582  0.18552109
   0.60898911  0.19164603  0.49837658
   0.90054396  0.12428283  0.87623827
   0.56538637  0.45954899  0.61920966
   0.75021563  0.36838497  0.79751461
   0.60333921  0.67088266 -0.00840355
   0.91270903  0.59715147  0.39108657
   0.56785353  0.90471898  0.13179607
   0.79668864  0.85051477  0.27911060
   0.64527645  0.64297713  0.47041171
   0.86724421  0.62109902  0.88975739
   0.60564453  0.93341522  0.63997980
   0.83300141  0.88280521  0.76611886
   0.05622567  0.05374767  0.12947319
   0.36193201  0.17713387  0.28534116
   0.09949157  0.30720521  0.03031451
   0.31376595  0.43219609  0.33650000
   0.51296086  0.37797671  0.21206547
   0.27260079  0.37277524  0.15181593
   0.26892500  0.10863994  0.46627081
   0.02211648  0.15301742  0.38654383
   0.04410279  0.05728429  0.55303079
   0.45520948  0.26998979  0.77820968
   0.11530974  0.30703970  0.52361223
   0.33381203  0.49515789  0.84120015
   0.40236102  0.47321825  0.66864732
   0.20234046  0.34940375  0.70436389
   0.30840787  0.22073436 -0.08103810
   0.05991535  0.15528747  0.89290129
   0.10181087  0.56056210  0.07854417
   0.38601281  0.67965738  0.27552471
   0.07702451  0.82590795  0.04822370
   0.35584511  0.92948635  0.34343752
   0.40650324  0.89070184  0.15055311
   0.17206160  0.83867022  0.22800931
   0.31013158  0.64340286  0.45222614
   0.04928355  0.66587400  0.42290331
   0.15515952  0.54232825  0.57930247
   0.29040640  0.74829728  0.79835538
   0.15992056  0.80716733  0.55975677
   0.38278946  1.00893827  0.80831197
   0.43914911  0.89410677  0.65650802
   0.15933398  0.94958581  0.70964473
   0.28194420  0.69708278 -0.01960474
   0.03372209  0.66332691  0.90582775
   0.60659829  0.05956511  0.09309395
   0.81572486  0.19067527  0.26387823
   0.60033380  0.31122584  0.03245340
   0.93600762  0.44581049  0.36259467
   0.01352674  0.37622610  0.20056337
   0.74949159  0.43043923  0.15251850
   0.76631329  0.20135452  0.44773274
   0.52544448  0.11750444  0.41910191
   0.61265709  0.08359191  0.59115717
   0.81253239  0.21448393  0.79146674
   0.55840100  0.34383054  0.53871079
   0.85891719  0.46973832  0.84817807
   0.95321048  0.41743095  0.66499149
   0.68662510  0.43663690  0.69201945
   0.80987933  0.14415021  0.98121316
   0.56431475  0.11564063  0.91337020
   0.53644559  0.55978433  0.06852662
   0.81752534  0.69411431  0.31868448
   0.60115984  0.81979642  0.03222051
   0.83517894  0.96237396  0.35482620
   0.89504362  0.85161191  0.18715552
   0.65291355  0.87314922  0.22522790
   0.80523398  0.58762529  0.48046773
   0.55428567  0.55173648  0.39646206
   0.59235974  0.61408185  0.58009379
   0.81394465  0.72479168  0.80760432
   0.60961294  0.80320888  0.44232115
   0.89329075  0.95850524  0.86303610
   0.91775199  0.87339614  0.66190242
   0.68410868  0.95376457  0.74545718
   0.77145496  0.62148008  0.98841488
   0.51163083  0.67090115  0.89857841
   0.68264294  0.81875932  0.59794797
   0.67835828  0.87367590  0.45646296
   0.86053698  0.21871071  0.10888238
   0.98087192  0.44364119  0.30087157
   0.32715264  0.12010271  0.66819737
   0.21633822  0.70935214  0.75926553
  -0.02673227  1.10971007  0.12879833
   0.21467079  1.03504498  0.02624956
   0.62911842  0.36354541  0.86116646
   0.90676508  0.46869791  0.62114523
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.760730    0.261542    0.004619
    -0.000000    9.863649    0.179713
    -0.000000    0.000000   14.179165
   Si   O    H 
    32    64    10
Direct configuration=  1191
   0.16426354  0.16225432 -0.02675037
   0.37989569  0.08122667  0.38382733
   0.12135093  0.40572531  0.11577607
   0.36028089  0.33228183  0.24801610
   0.11266813  0.16192769  0.48378893
   0.42497687  0.15223849  0.85780956
   0.10569448  0.39244073  0.61653407
   0.34193742  0.39763319  0.75637072
   0.11980352  0.68127685  0.00523744
   0.39217807  0.57632954  0.36418513
   0.05353248  0.89227189  0.15481022
   0.33693991  0.83289677  0.24695610
   0.16619864  0.66577428  0.50403322
   0.35296451  0.64710393  0.88234659
   0.07002086  0.92366131  0.61394827
   0.32160941  0.98589980  0.70184289
   0.64908062  0.15550112  1.00299529
   0.84944499  0.12297794  0.36389592
   0.58244003  0.41999916  0.11691304
   0.85333237  0.31693304  0.18569926
   0.60951976  0.19187516  0.49812283
   0.90026289  0.12565195  0.87575212
   0.56682717  0.45879073  0.61972501
   0.74994553  0.36857074  0.79646639
   0.60319154  0.67080168 -0.00930330
   0.91242331  0.59820647  0.39193302
   0.56829554  0.90460389  0.13229235
   0.79805902  0.85119822  0.27925412
   0.64427769  0.64227978  0.47025732
   0.86775002  0.62169697  0.88983891
   0.60631150  0.93379747  0.64058027
   0.83317977  0.88192353  0.76591959
   0.05707658  0.05379848  0.12960462
   0.36299822  0.17535005  0.28520284
   0.09872315  0.30785546  0.02949411
   0.31422704  0.43178688  0.33488393
   0.51193956  0.37890227  0.21234540
   0.27341513  0.37432727  0.15168531
   0.26794564  0.10776675  0.46671825
   0.02395489  0.15230378  0.38564968
   0.04250187  0.05587148  0.55323001
   0.45565836  0.26829293  0.77849828
   0.11701260  0.30665265  0.52474822
   0.33281547  0.49527014  0.84169166
   0.40113328  0.47420802  0.66726761
   0.20332883  0.34803510  0.70429511
   0.30817497  0.22065101 -0.08096107
   0.05916638  0.15478568  0.89367914
   0.10183918  0.56028378  0.07820777
   0.38600055  0.68126532  0.27380804
   0.07797691  0.82653010  0.04850706
   0.35617377  0.92962651  0.34271190
   0.40576815  0.88995560  0.15100767
   0.17337109  0.83990627  0.22715011
   0.30834654  0.64337881  0.45365117
   0.04960764  0.66623480  0.42294981
   0.15534389  0.54115617  0.58026457
   0.29042392  0.74820394  0.79853009
   0.15639848  0.80856178  0.56031019
   0.38226042  1.01036158  0.80885457
   0.44123002  0.89561356  0.65506350
   0.15904121  0.95082658  0.71037922
   0.28382378  0.69609200 -0.01999641
   0.03407086  0.66147285  0.90552563
   0.60614154  0.06065325  0.09255243
   0.81617903  0.19003654  0.26338204
   0.60245615  0.31178658  0.03221678
   0.93709161  0.44665400  0.36183044
   0.01363643  0.37819929  0.20166197
   0.75130228  0.42974613  0.15312253
   0.76767843  0.20014619  0.44793202
   0.52305947  0.11817853  0.41850576
   0.61136238  0.08205999  0.59032008
   0.81302947  0.21398689  0.79216869
   0.55919801  0.34417794  0.54004802
   0.85932983  0.46984491  0.84847897
   0.95150591  0.41771305  0.66634285
   0.68766871  0.43630208  0.69173193
   0.81054450  0.14527333  0.98123810
   0.56469281  0.11586211  0.91445355
   0.53843197  0.55872942  0.06931169
   0.81637537  0.69235722  0.31907080
   0.60101565  0.81931954  0.03205693
   0.83345680  0.96281836  0.35473336
   0.89492384  0.85352615  0.18687904
   0.65065154  0.87351073  0.22501567
   0.80755855  0.58778289  0.48070351
   0.55374227  0.55245271  0.39603272
   0.59240153  0.61499892  0.57970822
   0.81511248  0.72573794  0.80843163
   0.60958106  0.80367125  0.44299518
   0.89426301  0.95759045  0.86223709
   0.91675553  0.87179688  0.66279748
   0.68304113  0.95383210  0.74476483
   0.77163248  0.62231803  0.98847634
   0.51326969  0.67068629  0.89827243
   0.67585616  0.81498391  0.60203607
   0.67040954  0.87719364  0.46248280
   0.85576838  0.22316893  0.10646165
   0.98357819  0.43710973  0.30411052
   0.33327483  0.13153452  0.66429710
   0.22297272  0.70452014  0.76127407
  -0.02661294  1.10634604  0.13345590
   0.21140477  1.04341199  0.01868034
   0.63322153  0.35649974  0.86022938
   0.90333471  0.47609907  0.61580902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.762187    0.265350    0.002396
    -0.000000    9.863454    0.180073
    -0.000000    0.000000   14.180982
   Si   O    H 
    32    64    10
Direct configuration=  1192
   0.16475547  0.16259033 -0.02675655
   0.37788642  0.07977383  0.38360388
   0.12244488  0.40556132  0.11600519
   0.36152517  0.33098903  0.24805232
   0.11243267  0.16279437  0.48325563
   0.42585328  0.15212481  0.85822925
   0.10546020  0.39420797  0.61604471
   0.34221412  0.39705513  0.75719870
   0.11872118  0.68098593  0.00506598
   0.39223303  0.57714397  0.36360218
   0.05457656  0.89179455  0.15342238
   0.33583901  0.83221799  0.24679189
   0.16676403  0.66499125  0.50460485
   0.35357378  0.64732301  0.88237765
   0.07166792  0.92190759  0.61403271
   0.32198250  0.98536424  0.70251508
   0.64866587  0.15461813  1.00434718
   0.85073688  0.12382462  0.36393219
   0.58402614  0.42075431  0.11580265
   0.85421423  0.31711760  0.18604348
   0.61016828  0.19177542  0.49790243
   0.89968797  0.12640225  0.87526560
   0.56706642  0.45833241  0.62032076
   0.74998594  0.36940588  0.79546597
   0.60295795  0.67000858 -0.00992733
   0.91225025  0.59920558  0.39239521
   0.56885750  0.90449199  0.13274557
   0.79906750  0.85081507  0.27917713
   0.64382430  0.64149973  0.47024667
   0.86860576  0.62183291  0.89022337
   0.60643325  0.93359362  0.64058272
   0.83315846  0.88097562  0.76568229
   0.05685765  0.05382453  0.13051115
   0.36370772  0.17398305  0.28483741
   0.09878888  0.30758399  0.02844445
   0.31349802  0.43156013  0.33353419
   0.51124790  0.38015849  0.21225853
   0.27375097  0.37539269  0.15190679
   0.26658095  0.10593770  0.46711664
   0.02497951  0.15137824  0.38506365
   0.04005722  0.05455857  0.55393578
   0.45541113  0.26783247  0.77909180
   0.11760884  0.30706552  0.52632076
   0.33202561  0.49630038  0.84224703
   0.40035076  0.47591995  0.66569509
   0.20306313  0.34631360  0.70488199
   0.30698017  0.22055426 -0.07998730
   0.05801303  0.15405452  0.89383333
   0.10148038  0.55976157  0.07856884
   0.38589330  0.68241029  0.27261668
   0.07870861  0.82685027  0.04917333
   0.35712575  0.92936179  0.34180177
   0.40506986  0.88961220  0.15190491
   0.17463944  0.84123270  0.22688713
   0.30715561  0.64340894  0.45443697
   0.04988796  0.66698498  0.42294878
   0.15553770  0.54039901  0.58102389
   0.29056547  0.74938390  0.79865247
   0.15323434  0.81001952  0.56052208
   0.38229909  1.01165627  0.80962011
   0.44423073  0.89643493  0.65356675
   0.15948833  0.95137992  0.71107838
   0.28460785  0.69542088 -0.02004353
   0.03434936  0.66015603  0.90537024
   0.60552075  0.06091824  0.09249497
   0.81595023  0.18934572  0.26228139
   0.60473914  0.31188810  0.03209335
   0.93775629  0.44777606  0.36174594
   0.01360639  0.38019777  0.20304660
   0.75277144  0.42967491  0.15313345
   0.76838942  0.19888124  0.44790698
   0.52199026  0.11945056  0.41813893
   0.60999989  0.08040531  0.58905966
   0.81435989  0.21317174  0.79293113
   0.55965758  0.34431286  0.54125561
   0.85948286  0.47009607  0.84831358
   0.95032285  0.41812573  0.66718819
   0.68881138  0.43519608  0.69146302
   0.81139216  0.14589743  0.98105138
   0.56462554  0.11634380  0.91538697
   0.53996656  0.55827042  0.06994407
   0.81577412  0.69139994  0.31905290
   0.60140966  0.81846532  0.03231350
   0.83249880  0.96295179  0.35453304
   0.89484651  0.85524962  0.18627585
   0.64841076  0.87372319  0.22535932
   0.80966734  0.58822399  0.48135341
   0.55318867  0.55332374  0.39528971
   0.59276290  0.61566659  0.57902424
   0.81573323  0.72708792  0.80920967
   0.61039417  0.80441756  0.44344085
   0.89606193  0.95687585  0.86083004
   0.91593473  0.87057643  0.66318390
   0.68253767  0.95346532  0.74394704
   0.77261217  0.62224437  0.98789648
   0.51454142  0.67017046  0.89717271
   0.66943065  0.81433070  0.60530224
   0.66060596  0.87747729  0.46597022
   0.85199253  0.22638307  0.10249727
   0.98888733  0.42908216  0.30279955
   0.33725411  0.13847576  0.66087188
   0.22650238  0.70263253  0.76477214
  -0.03427305  1.10770659  0.13762088
   0.21279937  1.04281111  0.01118967
   0.63406452  0.35147221  0.85898882
   0.90095186  0.47805892  0.61552011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.763396    0.268684    0.000620
    -0.000000    9.863262    0.180942
    -0.000000    0.000000   14.183086
   Si   O    H 
    32    64    10
Direct configuration=  1193
   0.16565449  0.16376370 -0.02685800
   0.37597380  0.07778327  0.38295244
   0.12337996  0.40492213  0.11634853
   0.36301157  0.33001268  0.24816622
   0.11187370  0.16267635  0.48256597
   0.42649052  0.15177689  0.85856794
   0.10495974  0.39632614  0.61605463
   0.34250758  0.39650175  0.75783148
   0.11771942  0.68009696  0.00481649
   0.39210826  0.57738879  0.36329234
   0.05546406  0.89120470  0.15167768
   0.33504024  0.83174350  0.24686330
   0.16679210  0.66431627  0.50549097
   0.35357782  0.64786009  0.88187148
   0.07192301  0.92040131  0.61451665
   0.32207466  0.98526193  0.70295420
   0.64819750  0.15420710  1.00563058
   0.85311557  0.12468059  0.36411034
   0.58593790  0.42150991  0.11512532
   0.85554369  0.31710001  0.18601537
   0.61037813  0.19157132  0.49788359
   0.89916308  0.12729981  0.87499826
   0.56628266  0.45893363  0.62118224
   0.74984760  0.37013132  0.79455280
   0.60346284  0.66949321 -0.01028200
   0.91178115  0.60001652  0.39293282
   0.56986187  0.90529178  0.13281493
   0.80018358  0.84922706  0.27906979
   0.64360256  0.64075623  0.47064498
   0.86912321  0.62174877  0.89115402
   0.60643693  0.93354667  0.64047588
   0.83281819  0.88020519  0.76532384
   0.05624382  0.05423623  0.13145180
   0.36445972  0.17286879  0.28430072
   0.09911910  0.30665619  0.02750277
   0.31362259  0.43169090  0.33286291
   0.51011096  0.38091230  0.21219838
   0.27461480  0.37623621  0.15218535
   0.26522072  0.10436592  0.46732150
   0.02598190  0.15014258  0.38412993
   0.03749224  0.05369058  0.55439766
   0.45508086  0.26720729  0.77957365
   0.11802068  0.30810231  0.52784323
   0.33113602  0.49768057  0.84299728
   0.40056321  0.47741572  0.66446881
   0.20315603  0.34382167  0.70524304
   0.30527581  0.22130823 -0.07946087
   0.05614706  0.15419751  0.89316829
   0.10069310  0.55921978  0.07895447
   0.38603854  0.68294290  0.27240284
   0.07897811  0.82736675  0.04962332
   0.35827175  0.92943097  0.34116599
   0.40449807  0.88903332  0.15263073
   0.17504271  0.84332470  0.22746753
   0.30688185  0.64309051  0.45499157
   0.05037412  0.66770733  0.42362985
   0.15527439  0.53888588  0.58181904
   0.29199634  0.75114339  0.79864240
   0.15118168  0.81019595  0.56055761
   0.38239243  1.01258407  0.81045040
   0.44621455  0.89739923  0.65208573
   0.15898817  0.95289947  0.71157989
   0.28560421  0.69468709 -0.02027216
   0.03429810  0.65904541  0.90556371
   0.60501412  0.06026460  0.09237965
   0.81582171  0.18983159  0.26130028
   0.60663162  0.31241159  0.03238870
   0.93806840  0.44813863  0.36162665
   0.01319826  0.38205919  0.20405492
   0.75342333  0.43057117  0.15283381
   0.76911765  0.19769951  0.44846086
   0.52133551  0.12170906  0.41755107
   0.60811691  0.07980023  0.58782727
   0.81587722  0.21161114  0.79343381
   0.55933096  0.34337295  0.54233694
   0.85943339  0.46976889  0.84772599
   0.94892084  0.41869043  0.66718862
   0.68967392  0.43438357  0.69123343
   0.81290249  0.14741338  0.98097459
   0.56419953  0.11676156  0.91578916
   0.54176495  0.55961694  0.07088603
   0.81482522  0.69031693  0.31952278
   0.60169511  0.81794404  0.03245275
   0.83219104  0.96288942  0.35480283
   0.89546170  0.85642815  0.18575779
   0.64707220  0.87358280  0.22658034
   0.81074171  0.58890899  0.48187719
   0.55290085  0.55324282  0.39501892
   0.59357365  0.61579545  0.57812606
   0.81626294  0.72825437  0.80963976
   0.61100766  0.80356041  0.44431575
   0.89765739  0.95657790  0.85907704
   0.91612822  0.86988084  0.66345193
   0.68317591  0.95311151  0.74317649
   0.77327244  0.62281279  0.98707505
   0.51636595  0.66872191  0.89550990
   0.66538858  0.81400739  0.60414263
   0.65642795  0.88109299  0.47126948
   0.84917545  0.23029914  0.10051342
   0.99443939  0.41820945  0.29927694
   0.33887679  0.13616551  0.65944832
   0.22225249  0.69575761  0.76454710
  -0.03304487  1.10766606  0.14129743
   0.21869866  1.03973763  0.00517844
   0.63467295  0.34860570  0.85764187
   0.90277785  0.47454794  0.62313648
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.764650    0.271720   -0.000959
    -0.000000    9.863006    0.181787
    -0.000000    0.000000   14.185166
   Si   O    H 
    32    64    10
Direct configuration=  1194
   0.16705255  0.16587107 -0.02680631
   0.37363988  0.07656032  0.38197596
   0.12418390  0.40471366  0.11695518
   0.36366813  0.32951276  0.24791445
   0.11096653  0.16255223  0.48217087
   0.42753014  0.15143870  0.85912765
   0.10393845  0.39817451  0.61671659
   0.34362199  0.39612558  0.75824581
   0.11688067  0.67917347  0.00409047
   0.39197660  0.57764733  0.36296137
   0.05626705  0.89072681  0.15030237
   0.33421060  0.83144762  0.24748001
   0.16736672  0.66447039  0.50627603
   0.35358661  0.64890573  0.88104505
   0.07206451  0.91957796  0.61492515
   0.32209169  0.98538189  0.70289177
   0.64804377  0.15367911  1.00708918
   0.85535746  0.12563683  0.36426666
   0.58859792  0.42236262  0.11471851
   0.85693938  0.31689710  0.18605490
   0.61105264  0.19139921  0.49796732
   0.89841840  0.12766085  0.87522285
   0.56567056  0.45979275  0.62202823
   0.74968208  0.37043686  0.79430909
   0.60445290  0.66916957 -0.01054013
   0.91124019  0.60054724  0.39324084
   0.57051622  0.90595269  0.13223396
   0.80169240  0.84689219  0.27891308
   0.64382549  0.64017417  0.47100031
   0.86975268  0.62195486  0.89235803
   0.60685852  0.93398946  0.64039655
   0.83246367  0.87953529  0.76534468
   0.05582420  0.05539918  0.13270366
   0.36528431  0.17176657  0.28362454
   0.09961708  0.30548668  0.02629297
   0.31399587  0.43143301  0.33288018
   0.50928771  0.38071972  0.21258814
   0.27542399  0.37667744  0.15270821
   0.26453748  0.10233921  0.46754803
   0.02585423  0.14923934  0.38313248
   0.03529196  0.05312590  0.55466678
   0.45573175  0.26705694  0.77966935
   0.11929149  0.30806960  0.52827765
   0.32980621  0.49906940  0.84432908
   0.40256933  0.47783784  0.66355671
   0.20308191  0.34111234  0.70587914
   0.30313194  0.22155706 -0.07893560
   0.05309604  0.15448427  0.89263813
   0.10000603  0.55790984  0.07919921
   0.38620940  0.68236735  0.27192857
   0.07879027  0.82750865  0.04987382
   0.35932551  0.92851370  0.34029475
   0.40414186  0.88823643  0.15308019
   0.17510932  0.84573797  0.22767265
   0.30694223  0.64310949  0.45516537
   0.05080025  0.66810056  0.42432011
   0.15566155  0.53851020  0.58222072
   0.29411202  0.75176461  0.79886481
   0.15076433  0.80966979  0.56002246
   0.38282884  1.01306523  0.81105587
   0.44812644  0.89708790  0.65148431
   0.15865156  0.95426277  0.71212356
   0.28735537  0.69328961 -0.01901200
   0.03435818  0.65840825  0.90604747
   0.60398101  0.05846063  0.09257512
   0.81632238  0.19073273  0.26052002
   0.60822213  0.31257681  0.03214342
   0.93831608  0.44760104  0.36109889
   0.01192846  0.38395005  0.20472555
   0.75288414  0.43219341  0.15293083
   0.76893994  0.19564907  0.44955364
   0.52046871  0.12402276  0.41747634
   0.60765410  0.07834372  0.58642148
   0.81757601  0.21108852  0.79435841
   0.55928380  0.34231270  0.54331213
   0.85934062  0.46955784  0.84685872
   0.94865125  0.41829336  0.66678705
   0.69072277  0.43306985  0.69147211
   0.81460339  0.14905688  0.98067228
   0.56405984  0.11662220  0.91565671
   0.54418259  0.56173761  0.07172562
   0.81407924  0.68897506  0.32001836
   0.60176438  0.81821973  0.03328033
   0.83158766  0.96377134  0.35566609
   0.89622831  0.85748161  0.18407047
   0.64564753  0.87294638  0.22779294
   0.81171560  0.58905548  0.48188665
   0.55213275  0.55381227  0.39457420
   0.59479145  0.61559419  0.57738178
   0.81597242  0.72910851  0.81011062
   0.61205582  0.80222846  0.44492596
   0.89852009  0.95683605  0.85686158
   0.91680235  0.86874201  0.66366490
   0.68436017  0.95204995  0.74233327
   0.77390013  0.62289927  0.98610971
   0.51762004  0.66784709  0.89403364
   0.66522121  0.81217508  0.60151094
   0.65147172  0.88296671  0.47599648
   0.84948269  0.23287313  0.09846783
   0.99650783  0.41224824  0.30125535
   0.34040576  0.13112900  0.65860642
   0.22088298  0.69348070  0.76737101
  -0.02509264  1.10513164  0.14605748
   0.22697857  1.03111173  0.00203776
   0.63536411  0.34820736  0.85558869
   0.89424079  0.47875376  0.62957178
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.766278    0.275000   -0.002793
    -0.000000    9.863093    0.182424
    -0.000000    0.000000   14.187305
   Si   O    H 
    32    64    10
Direct configuration=  1195
   0.16832496  0.16799514 -0.02645941
   0.37129741  0.07553311  0.38078682
   0.12475587  0.40410297  0.11737489
   0.36442748  0.32888093  0.24747516
   0.11001486  0.16240319  0.48175741
   0.42799904  0.15090155  0.85957065
   0.10300589  0.39978246  0.61771847
   0.34480288  0.39552198  0.75847927
   0.11620032  0.67911002  0.00352117
   0.39180047  0.57779334  0.36302117
   0.05661169  0.89054177  0.14921106
   0.33317295  0.83138325  0.24857245
   0.16726441  0.66477340  0.50737773
   0.35342495  0.65070595  0.88042597
   0.07162930  0.91889915  0.61546644
   0.32200117  0.98497801  0.70272219
   0.64833326  0.15318382  1.00854972
   0.85746674  0.12711758  0.36420145
   0.59107783  0.42311353  0.11441016
   0.85743958  0.31667112  0.18591253
   0.61199785  0.19139346  0.49839453
   0.89776870  0.12759586  0.87562753
   0.56492213  0.46075245  0.62241985
   0.74915306  0.37043431  0.79375129
   0.60532982  0.66962097 -0.01056125
   0.91097662  0.60071886  0.39354913
   0.57118237  0.90717593  0.13146716
   0.80289109  0.84505986  0.27830899
   0.64402437  0.64040860  0.47115298
   0.86984545  0.62214318  0.89300138
   0.60745375  0.93409084  0.64075437
   0.83190991  0.87901601  0.76550746
   0.05568192  0.05593934  0.13384765
   0.36620767  0.17081886  0.28266533
   0.10118939  0.30436984  0.02511099
   0.31345816  0.43154712  0.33319833
   0.50841505  0.38018551  0.21227035
   0.27680756  0.37686163  0.15326409
   0.26478208  0.10122978  0.46787072
   0.02514069  0.14965912  0.38232996
   0.03352994  0.05289153  0.55515969
   0.45626675  0.26756138  0.78000877
   0.12015404  0.30762575  0.52877359
   0.32815970  0.50004890  0.84555353
   0.40529854  0.47820356  0.66285443
   0.20275998  0.33923045  0.70721405
   0.30127594  0.22144367 -0.07850568
   0.05003894  0.15450037  0.89233555
   0.09940872  0.55659384  0.07922682
   0.38512906  0.68181866  0.27153323
   0.07848394  0.82674044  0.05006339
   0.36119033  0.92830324  0.33948568
   0.40404572  0.88651946  0.15292714
   0.17434721  0.84731990  0.22807481
   0.30721707  0.64355937  0.45465364
   0.05179699  0.66941698  0.42501596
   0.15580952  0.53864561  0.58236531
   0.29523118  0.75133498  0.79918660
   0.15047985  0.80859125  0.55942614
   0.38283012  1.01245948  0.81173322
   0.44888613  0.89690924  0.65132264
   0.15881660  0.95533636  0.71214277
   0.28834913  0.69226104 -0.01803520
   0.03307083  0.65664166  0.90637833
   0.60233339  0.05700579  0.09308542
   0.81729409  0.19152141  0.25968928
   0.61042110  0.31199668  0.03218646
   0.93910623  0.44641856  0.36040009
   0.01128530  0.38619693  0.20491892
   0.75167064  0.43429751  0.15323704
   0.76807828  0.19313029  0.45124358
   0.52053002  0.12574131  0.41733686
   0.60752166  0.07823191  0.58470847
   0.81896126  0.20985557  0.79518743
   0.55912442  0.34115503  0.54377143
   0.85859676  0.46866747  0.84609931
   0.94955739  0.41798875  0.66671303
   0.69237239  0.43238770  0.69146631
   0.81619191  0.15062968  0.98053118
   0.56364593  0.11703769  0.91555137
   0.54511145  0.56460464  0.07280426
   0.81375868  0.68754883  0.32039266
   0.60256078  0.81880551  0.03389776
   0.83098065  0.96492956  0.35604065
   0.89723000  0.85766102  0.18275799
   0.64490363  0.87187201  0.22928831
   0.81170878  0.58942468  0.48180812
   0.55088722  0.55429479  0.39393303
   0.59584690  0.61492560  0.57652516
   0.81543350  0.73035247  0.81108103
   0.61303868  0.80140427  0.44529252
   0.89957173  0.95725813  0.85478561
   0.91736633  0.86857720  0.66323001
   0.68445585  0.95077579  0.74129622
   0.77394825  0.62266938  0.98463063
   0.51843417  0.66773142  0.89269079
   0.66749412  0.81078449  0.59952135
   0.64475878  0.87633101  0.47727604
   0.85345751  0.23626041  0.09844742
   0.99392408  0.41030804  0.30923119
   0.33982767  0.12328608  0.65778766
   0.22759912  0.69672452  0.77338222
  -0.02671870  1.10831466  0.14961841
   0.23153219  1.02295524  0.00058819
   0.63639526  0.34870624  0.85580572
   0.88163483  0.48986549  0.63274984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.767302    0.278451   -0.004636
    -0.000000    9.862878    0.183015
    -0.000000    0.000000   14.189470
   Si   O    H 
    32    64    10
Direct configuration=  1196
   0.16936332  0.16960806 -0.02673102
   0.36929094  0.07491967  0.37967148
   0.12481283  0.40301811  0.11724667
   0.36441619  0.32824782  0.24725619
   0.10858013  0.16214104  0.48089291
   0.42842156  0.15030585  0.85984784
   0.10144073  0.40188881  0.61892056
   0.34609188  0.39440242  0.75858169
   0.11599424  0.67962236  0.00283661
   0.39117699  0.57750421  0.36330188
   0.05625123  0.89111394  0.14809828
   0.33246766  0.83132831  0.24976781
   0.16682849  0.66482466  0.50837042
   0.35405740  0.65258118  0.87967462
   0.07032273  0.91840555  0.61648820
   0.32236622  0.98507009  0.70249559
   0.64973251  0.15322631  1.00965447
   0.85959958  0.12900044  0.36410842
   0.59363974  0.42323256  0.11445582
   0.85843811  0.31672363  0.18581637
   0.61302665  0.19115344  0.49855084
   0.89634672  0.12668880  0.87621966
   0.56378510  0.46179962  0.62238666
   0.74860548  0.37032832  0.79314333
   0.60627307  0.66994553 -0.01068192
   0.91166059  0.60122094  0.39379382
   0.57194141  0.90813101  0.13093089
   0.80335040  0.84330423  0.27775851
   0.64436334  0.64004051  0.47095205
   0.86946772  0.62177044  0.89330064
   0.60786247  0.93425116  0.64081049
   0.83205188  0.87801538  0.76572974
   0.05590411  0.05679124  0.13487933
   0.36673512  0.17045025  0.28166361
   0.10251623  0.30320005  0.02368089
   0.31282568  0.43234774  0.33403641
   0.50762202  0.37939279  0.21182738
   0.27811152  0.37680271  0.15341206
   0.26582761  0.10001553  0.46770913
   0.02405754  0.15002587  0.38139375
   0.03199201  0.05347639  0.55559818
   0.45703040  0.26851340  0.78066701
   0.12080192  0.30673190  0.52928930
   0.32667222  0.50122323  0.84619115
   0.40811478  0.47867642  0.66215901
   0.20241796  0.33809367  0.70789924
   0.30006254  0.22147535 -0.07824321
   0.04799943  0.15384645  0.89246138
   0.09837198  0.55568941  0.07860793
   0.38413437  0.68088020  0.27166833
   0.07748419  0.82600078  0.04972000
   0.36375980  0.92761673  0.33889194
   0.40393352  0.88480757  0.15280234
   0.17253210  0.84919458  0.22837500
   0.30822302  0.64385011  0.45376786
   0.05216642  0.67074103  0.42522972
   0.15633246  0.53976427  0.58220361
   0.29571821  0.75124741  0.79966001
   0.15086397  0.80733757  0.55899082
   0.38282062  1.01158117  0.81251129
   0.44923616  0.89694133  0.65130275
   0.15824226  0.95596252  0.71200227
   0.28789653  0.69106958 -0.01711315
   0.03172491  0.65464852  0.90694301
   0.60177053  0.05531846  0.09356261
   0.81890349  0.19262173  0.25902157
   0.61241015  0.31181300  0.03261567
   0.94060372  0.44549661  0.35970696
   0.01088056  0.38742078  0.20476153
   0.75008282  0.43600092  0.15347919
   0.76774948  0.19058532  0.45306072
   0.52073128  0.12773645  0.41700487
   0.60801784  0.07872311  0.58315310
   0.81997103  0.20951579  0.79571435
   0.55953268  0.34018749  0.54399728
   0.85856688  0.46813442  0.84522059
   0.95091936  0.41752104  0.66644824
   0.69384300  0.43138705  0.69183863
   0.81754561  0.15202847  0.98036707
   0.56345100  0.11730149  0.91546412
   0.54627247  0.56764768  0.07373717
   0.81372061  0.68697798  0.32062710
   0.60359401  0.81998975  0.03465987
   0.83083023  0.96551609  0.35650558
   0.89850555  0.85785318  0.18194672
   0.64449569  0.87099864  0.23116463
   0.81245304  0.58943703  0.48214690
   0.55023603  0.55539904  0.39403724
   0.59633465  0.61321795  0.57600572
   0.81537286  0.73210702  0.81235465
   0.61376852  0.79994813  0.44505337
   0.90009195  0.95800349  0.85295086
   0.91828890  0.86836216  0.66296361
   0.68542607  0.95007474  0.74005031
   0.77408045  0.62249590  0.98300041
   0.51948844  0.66714645  0.89129271
   0.66878708  0.81381923  0.59663747
   0.63992400  0.87517368  0.48147681
   0.85838580  0.24019606  0.09782947
   0.99372669  0.41163345  0.31573770
   0.33391725  0.11327706  0.65787267
   0.22734512  0.69432899  0.77421003
  -0.02963161  1.11399361  0.15311660
   0.23343663  1.02215534 -0.00084400
   0.63551050  0.35116885  0.85890155
   0.87254454  0.49481284  0.64237128
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.768024    0.281637   -0.006911
    -0.000000    9.862533    0.183552
    -0.000000    0.000000   14.191527
   Si   O    H 
    32    64    10
Direct configuration=  1197
   0.16995865  0.17105630 -0.02713978
   0.36764094  0.07447891  0.37863361
   0.12531351  0.40126035  0.11680226
   0.36378448  0.32745685  0.24731098
   0.10767951  0.16142632  0.47988534
   0.42904176  0.14948132  0.86028146
   0.10022751  0.40385492  0.62086981
   0.34766234  0.39358629  0.75882144
   0.11516331  0.67987745  0.00258440
   0.39041253  0.57682229  0.36370384
   0.05556863  0.89246215  0.14732446
   0.33188365  0.83115185  0.25076329
   0.16694757  0.66514809  0.50945972
   0.35459592  0.65458242  0.87916581
   0.06840431  0.91808261  0.61735485
   0.32326527  0.98522524  0.70254505
   0.65162862  0.15282480  1.01011701
   0.86155248  0.13061370  0.36370975
   0.59613378  0.42329988  0.11473579
   0.85915720  0.31642127  0.18593012
   0.61433300  0.19114346  0.49881759
   0.89473102  0.12513761  0.87674011
   0.56310784  0.46289894  0.62251119
   0.74772781  0.37046802  0.79238739
   0.60669973  0.66982121 -0.01061778
   0.91209573  0.60125746  0.39329269
   0.57164860  0.90888168  0.13050858
   0.80325244  0.84123550  0.27730287
   0.64497590  0.63961117  0.47110400
   0.86876635  0.62155095  0.89327618
   0.60858783  0.93466979  0.64067227
   0.83303493  0.87703038  0.76529972
   0.05611697  0.05693823  0.13545302
   0.36576600  0.16976829  0.28091339
   0.10394197  0.30320312  0.02321031
   0.31236841  0.43321723  0.33545591
   0.50694449  0.37797984  0.21114715
   0.27900910  0.37693170  0.15292530
   0.26738130  0.09809588  0.46798047
   0.02414305  0.15000479  0.38060282
   0.03113202  0.05419431  0.55592482
   0.45722005  0.27049928  0.78112472
   0.12139471  0.30486946  0.52938892
   0.32539732  0.50206301  0.84655159
   0.41080194  0.47907689  0.66159250
   0.20238877  0.33718041  0.70814494
   0.30011794  0.22173401 -0.07775534
   0.04681995  0.15378345  0.89255746
   0.09669563  0.55431173  0.07839962
   0.38359487  0.67934195  0.27186263
   0.07664619  0.82502326  0.04895434
   0.36573950  0.92742586  0.33887198
   0.40386267  0.88367449  0.15237682
   0.17009867  0.85169487  0.22827583
   0.30990954  0.64422248  0.45284245
   0.05209068  0.67257306  0.42541133
   0.15727699  0.54015969  0.58193489
   0.29664167  0.75059492  0.79948371
   0.15143286  0.80590946  0.55852344
   0.38280672  1.01068339  0.81317151
   0.44843500  0.89639403  0.65083691
   0.15747367  0.95579514  0.71155953
   0.28731411  0.68980081 -0.01617282
   0.03048756  0.65255164  0.90737037
   0.60220279  0.05431378  0.09400966
   0.82023793  0.19412630  0.25825167
   0.61325363  0.31161526  0.03269403
   0.94137956  0.44555954  0.36008099
   0.01087044  0.38841740  0.20423004
   0.74869122  0.43772689  0.15444375
   0.76760548  0.18804249  0.45484640
   0.52060251  0.12908745  0.41643188
   0.60918009  0.07944879  0.58217013
   0.82067189  0.21068143  0.79601083
   0.55944314  0.33885245  0.54379956
   0.85935311  0.46840286  0.84505724
   0.95108667  0.41801771  0.66557593
   0.69471289  0.43048969  0.69242015
   0.81859826  0.15329198  0.97986137
   0.56372316  0.11722228  0.91529507
   0.54694622  0.57036113  0.07478729
   0.81346802  0.68570809  0.32062917
   0.60432341  0.82022465  0.03504705
   0.83039902  0.96610732  0.35695890
   0.89969754  0.85811817  0.18196096
   0.64463286  0.87025385  0.23328952
   0.81192101  0.59015730  0.48213450
   0.55012319  0.55614999  0.39425510
   0.59562102  0.61137767  0.57613113
   0.81532037  0.73281067  0.81370565
   0.61487963  0.79785956  0.44495857
   0.90036332  0.95983701  0.85093081
   0.91949698  0.86845333  0.66270940
   0.68559573  0.95028266  0.73875358
   0.77408353  0.62206353  0.98109146
   0.52080597  0.66670985  0.88977889
   0.67374274  0.81984153  0.59315666
   0.63697240  0.87752866  0.48568882
   0.86355860  0.24382040  0.09632717
   1.00975385  0.40695931  0.30627325
   0.32881846  0.10694161  0.65246672
   0.22280335  0.69043023  0.77173860
  -0.02942512  1.11485742  0.15595059
   0.23421614  1.02736756 -0.00255094
   0.63672783  0.35429308  0.86048568
   0.87349344  0.48709631  0.65282897
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.768788    0.285141   -0.008924
    -0.000000    9.862153    0.184335
    -0.000000    0.000000   14.193216
   Si   O    H 
    32    64    10
Direct configuration=  1198
   0.17014746  0.17165527 -0.02749787
   0.36580405  0.07462785  0.37787776
   0.12618248  0.39951784  0.11676860
   0.36320333  0.32744285  0.24711555
   0.10705929  0.16057444  0.47885848
   0.42920064  0.14853639  0.86030416
   0.09931954  0.40534768  0.62255600
   0.34863709  0.39295451  0.75937648
   0.11462797  0.67988372  0.00264750
   0.38969326  0.57639810  0.36395516
   0.05451141  0.89409181  0.14688530
   0.33140792  0.83117844  0.25163281
   0.16718085  0.66525035  0.50997233
   0.35543908  0.65600690  0.87940886
   0.06614229  0.91817257  0.61866086
   0.32415278  0.98535519  0.70280482
   0.65304235  0.15211862  1.00999556
   0.86239229  0.13191303  0.36310477
   0.59836132  0.42325172  0.11525334
   0.85998749  0.31662735  0.18561946
   0.61615069  0.19107882  0.49900044
   0.89331912  0.12310133  0.87735341
   0.56263853  0.46381656  0.62220559
   0.74692231  0.37020401  0.79149177
   0.60674776  0.67022110 -0.01020947
   0.91265262  0.60073542  0.39245868
   0.57143355  0.90886354  0.13040393
   0.80315921  0.83969607  0.27689111
   0.64511412  0.63915439  0.47113323
   0.86814655  0.62074314  0.89282687
   0.60911574  0.93493092  0.64021433
   0.83387157  0.87640959  0.76557279
   0.05656915  0.05768357  0.13591642
   0.36331256  0.17030499  0.27959173
   0.10493887  0.30415259  0.02306425
   0.31222469  0.43451495  0.33660409
   0.50684489  0.37581872  0.21033680
   0.27933092  0.37721435  0.15298955
   0.26866487  0.09642175  0.46849729
   0.02441863  0.15046681  0.37952344
   0.03114327  0.05497204  0.55574315
   0.45719443  0.27243466  0.78225717
   0.12298611  0.30317942  0.52934877
   0.32517853  0.50294146  0.84695274
   0.41284287  0.47953055  0.66119870
   0.20201721  0.33645001  0.70852214
   0.30172459  0.22296772 -0.07821160
   0.04794126  0.15338210  0.89284063
   0.09529684  0.55264117  0.07835961
   0.38292320  0.67740799  0.27188060
   0.07535930  0.82337346  0.04826092
   0.36723348  0.92720143  0.33915627
   0.40383242  0.88384532  0.15205883
   0.16793803  0.85396039  0.22783657
   0.31066105  0.64398423  0.45225874
   0.05203558  0.67380000  0.42536174
   0.15755835  0.54066902  0.58207223
   0.29663819  0.75042164  0.79879784
   0.15069909  0.80465074  0.55856024
   0.38340988  1.00864644  0.81363125
   0.44752965  0.89460284  0.65089239
   0.15716236  0.95628411  0.71074658
   0.28618452  0.68810744 -0.01551986
   0.02942961  0.65117405  0.90755803
   0.60240479  0.05405432  0.09446928
   0.82146299  0.19609160  0.25788011
   0.61530697  0.31204704  0.03263685
   0.94243150  0.44501770  0.36021918
   0.01145375  0.38825440  0.20395993
   0.74805777  0.43936096  0.15644373
   0.76806621  0.18593207  0.45650446
   0.52066817  0.13055900  0.41592813
   0.61062136  0.07968353  0.58167544
   0.82096868  0.21251451  0.79611606
   0.56016012  0.33761840  0.54369242
   0.86016915  0.46908414  0.84464075
   0.95157573  0.41910284  0.66531962
   0.69552570  0.42960253  0.69284948
   0.81905545  0.15491277  0.98021420
   0.56506996  0.11630499  0.91566166
   0.54679864  0.57334557  0.07558545
   0.81319742  0.68505925  0.32028284
   0.60474968  0.82078041  0.03539171
   0.82990277  0.96667861  0.35743932
   0.90005888  0.85785158  0.18170429
   0.64496929  0.86824149  0.23484517
   0.81084530  0.59167620  0.48252074
   0.54989038  0.55640850  0.39459678
   0.59532099  0.60976313  0.57630640
   0.81539617  0.73249697  0.81501788
   0.61573703  0.79676669  0.44487910
   0.90013575  0.96139742  0.84902033
   0.92109048  0.86829024  0.66291704
   0.68743595  0.95036113  0.73765579
   0.77332740  0.62254908  0.97954281
   0.52187260  0.66629817  0.88828966
   0.67890578  0.82752071  0.59078047
   0.63537325  0.87267594  0.48536606
   0.87044982  0.24951576  0.09619320
   1.01502294  0.40835078  0.30238992
   0.32413136  0.10322337  0.64573744
   0.22296029  0.69025606  0.76885749
  -0.01891592  1.11115154  0.15663459
   0.23213790  1.03450482 -0.00091963
   0.63576530  0.36197089  0.86035676
   0.88351160  0.47185173  0.66076802
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.769342    0.289028   -0.011022
    -0.000000    9.862127    0.184924
    -0.000000    0.000000   14.195161
   Si   O    H 
    32    64    10
Direct configuration=  1199
   0.16991905  0.17189113 -0.02782647
   0.36368651  0.07566127  0.37721988
   0.12663356  0.39801861  0.11600117
   0.36270482  0.32717436  0.24723871
   0.10604627  0.15953701  0.47816178
   0.42900989  0.14776728  0.86027349
   0.09822663  0.40653618  0.62437649
   0.34946901  0.39287883  0.75953022
   0.11515784  0.67973465  0.00264914
   0.38835485  0.57579248  0.36412029
   0.05387049  0.89592449  0.14691460
   0.33078733  0.83134183  0.25293831
   0.16753261  0.66498623  0.51043697
   0.35576010  0.65777138  0.87957186
   0.06419714  0.91789593  0.61949857
   0.32575964  0.98591508  0.70286547
   0.65432089  0.15184996  1.00950263
   0.86254869  0.13190581  0.36316200
   0.60011866  0.42275840  0.11544204
   0.86077188  0.31693648  0.18476602
   0.61738593  0.19102609  0.49916229
   0.89272091  0.12150983  0.87812365
   0.56258772  0.46441494  0.62164496
   0.74602508  0.36928190  0.79093161
   0.60688493  0.67042736 -0.00989984
   0.91300562  0.59949167  0.39160932
   0.57058764  0.90789848  0.13028600
   0.80367422  0.83843979  0.27676031
   0.64498154  0.63957286  0.47137933
   0.86789219  0.61875164  0.89229196
   0.60947119  0.93582268  0.63997607
   0.83529378  0.87560578  0.76584827
   0.05679782  0.05848037  0.13527691
   0.36143353  0.17070033  0.27818022
   0.10593951  0.30610598  0.02348119
   0.31298028  0.43528777  0.33743861
   0.50668988  0.37371729  0.20929456
   0.27941809  0.37790988  0.15303058
   0.26850944  0.09531888  0.46909953
   0.02552099  0.15053484  0.37900155
   0.03077475  0.05532241  0.55514145
   0.45679970  0.27393532  0.78365566
   0.12355474  0.30138883  0.52932851
   0.32489561  0.50403296  0.84685693
   0.41467138  0.47959220  0.66144269
   0.20236957  0.33658933  0.70877926
   0.30391107  0.22409921 -0.07906800
   0.04937771  0.15327544  0.89325257
   0.09340452  0.55162963  0.07778034
   0.38265703  0.67564892  0.27210135
   0.07445997  0.82116822  0.04723740
   0.36846774  0.92711999  0.33947523
   0.40420462  0.88451840  0.15242533
   0.16548831  0.85644564  0.22766872
   0.31185945  0.64397477  0.45162893
   0.05198135  0.67478136  0.42500270
   0.15761832  0.54097664  0.58230192
   0.29512819  0.75013935  0.79730321
   0.14973107  0.80474543  0.55843600
   0.38406026  1.00682009  0.81435840
   0.44587942  0.89363947  0.65131258
   0.15690545  0.95670494  0.70952241
   0.28493335  0.68719790 -0.01518854
   0.02878173  0.65051005  0.90761762
   0.60303678  0.05453750  0.09556430
   0.82299684  0.19796170  0.25748962
   0.61664949  0.31146635  0.03325403
   0.94458275  0.44400511  0.36040979
   0.01256302  0.38725036  0.20370799
   0.74746360  0.44076686  0.15796323
   0.76948141  0.18433253  0.45789804
   0.52019927  0.13206966  0.41546233
   0.61235043  0.07973363  0.58144969
   0.82122047  0.21383793  0.79606309
   0.56076560  0.33618087  0.54352649
   0.86139939  0.46909767  0.84447365
   0.95293271  0.41933892  0.66564394
   0.69617191  0.42835275  0.69281698
   0.82012639  0.15600766  0.98066606
   0.56703500  0.11550364  0.91613758
   0.54622202  0.57538049  0.07621535
   0.81229485  0.68442128  0.31976390
   0.60549748  0.82176451  0.03519461
   0.82958296  0.96620886  0.35750974
   0.90017671  0.85744606  0.18150469
   0.64522197  0.86584194  0.23613033
   0.80934061  0.59320789  0.48298708
   0.55022752  0.55624858  0.39506660
   0.59488743  0.60820929  0.57666866
   0.81482673  0.73237836  0.81643990
   0.61661483  0.79665374  0.44438020
   0.89942821  0.96297094  0.84763425
   0.92154576  0.86892633  0.66346353
   0.68842231  0.95024776  0.73665912
   0.77191568  0.62261711  0.97812984
   0.52358227  0.66643970  0.88730435
   0.68614877  0.83154318  0.58867858
   0.63330774  0.86620942  0.48600426
   0.88055103  0.25289839  0.09671191
   1.01511419  0.41637018  0.30413973
   0.31814964  0.10486914  0.63870804
   0.22477008  0.69424651  0.76659804
  -0.01211722  1.11328565  0.15680530
   0.22829787  1.03785502  0.00364755
   0.63376575  0.36989801  0.85923700
   0.86151755  0.47791646  0.66201246
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.770227    0.292793   -0.013146
    -0.000000    9.861976    0.185299
    -0.000000    0.000000   14.197046
   Si   O    H 
    32    64    10
Direct configuration=  1200
   0.16987906  0.17213392 -0.02795394
   0.36263896  0.07673578  0.37651447
   0.12701398  0.39725381  0.11535199
   0.36232752  0.32727145  0.24750334
   0.10495184  0.15792195  0.47780495
   0.42855798  0.14736431  0.86018678
   0.09732578  0.40718000  0.62625058
   0.34994752  0.39286674  0.75946484
   0.11547541  0.67981632  0.00281944
   0.38683877  0.57518076  0.36401613
   0.05233547  0.89772799  0.14648395
   0.33013367  0.83213019  0.25392007
   0.16764381  0.66489393  0.51077236
   0.35549774  0.65916189  0.87959311
   0.06283686  0.91731472  0.62023160
   0.32766003  0.98643606  0.70304272
   0.65476301  0.15156439  1.00870452
   0.86227673  0.13063699  0.36323683
   0.60192768  0.42246737  0.11566630
   0.86098188  0.31833215  0.18395333
   0.61838289  0.19112497  0.49884536
   0.89269587  0.12014314  0.87850048
   0.56277429  0.46451441  0.62145318
   0.74536772  0.36864080  0.79031985
   0.60664817  0.67075926 -0.00923145
   0.91335407  0.59852948  0.39062467
   0.57018992  0.90588981  0.13003459
   0.80399232  0.83810024  0.27654585
   0.64560185  0.64008199  0.47158252
   0.86734739  0.61689900  0.89155001
   0.60960584  0.93641069  0.63965742
   0.83623873  0.87510972  0.76607637
   0.05754326  0.05917172  0.13447198
   0.36026935  0.17102200  0.27666912
   0.10706428  0.30705750  0.02404170
   0.31333071  0.43543576  0.33822247
   0.50657641  0.37167845  0.20830030
   0.27895324  0.37838654  0.15305396
   0.26766032  0.09368933  0.46958987
   0.02651327  0.15051202  0.37830138
   0.03093948  0.05505618  0.55415308
   0.45632481  0.27539045  0.78487929
   0.12405932  0.29995032  0.52997950
   0.32453704  0.50447049  0.84636645
   0.41541993  0.47907226  0.66230303
   0.20352668  0.33703195  0.70879970
   0.30571395  0.22509556 -0.08006059
   0.05097136  0.15347959  0.89326826
   0.09174204  0.55171471  0.07730567
   0.38226144  0.67475444  0.27243883
   0.07388775  0.82012882  0.04674852
   0.36973593  0.92632129  0.33965226
   0.40418695  0.88467483  0.15312500
   0.16382256  0.85824884  0.22799474
   0.31185163  0.64386226  0.45102147
   0.05263553  0.67556828  0.42467871
   0.15794505  0.54138129  0.58202690
   0.29325128  0.74986679  0.79555910
   0.14884575  0.80571814  0.55904878
   0.38492190  1.00640603  0.81444268
   0.44490180  0.89336201  0.65222620
   0.15694347  0.95779937  0.70815151
   0.28411204  0.68638921 -0.01470627
   0.02876095  0.64951355  0.90738050
   0.60440170  0.05525994  0.09612229
   0.82504387  0.19962409  0.25751384
   0.61732959  0.31094044  0.03378148
   0.94676381  0.44340131  0.36014831
   0.01313239  0.38542939  0.20290431
   0.74683321  0.44097652  0.15933048
   0.77077611  0.18330274  0.45894855
   0.51778209  0.13298349  0.41429338
   0.61393902  0.07933946  0.58113429
   0.82086613  0.21557577  0.79624962
   0.56119322  0.33550058  0.54341657
   0.86238857  0.46861886  0.84444188
   0.95340574  0.42055742  0.66597677
   0.69666356  0.42664066  0.69297645
   0.81932553  0.15657140  0.98115829
   0.56847037  0.11400342  0.91630758
   0.54580115  0.57649747  0.07669394
   0.81126242  0.68452773  0.31934806
   0.60696731  0.82277397  0.03475906
   0.82977880  0.96615793  0.35770275
   0.90065886  0.85689244  0.18162827
   0.64532159  0.86450996  0.23770407
   0.80784384  0.59439779  0.48381807
   0.55109414  0.55612112  0.39539205
   0.59503642  0.60765076  0.57705120
   0.81403495  0.73268520  0.81750198
   0.61683737  0.79775915  0.44376384
   0.89889227  0.96504109  0.84673195
   0.92206887  0.86957219  0.66448418
   0.68959547  0.94983102  0.73591585
   0.76987031  0.62283652  0.97685902
   0.52438117  0.66731510  0.88733887
   0.69074841  0.83351027  0.58589575
   0.63349603  0.86095131  0.48997064
   0.89083035  0.25535987  0.10060065
   1.01113314  0.42814079  0.31008725
   0.31279692  0.11032129  0.63210906
   0.22839519  0.70069815  0.76435594
  -0.02023477  1.12295930  0.16022623
   0.22167848  1.04013813  0.01198798
   0.63299824  0.37604659  0.85855023
   0.85170152  0.47629943  0.66383984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.771069    0.296796   -0.015321
    -0.000000    9.862432    0.185477
    -0.000000    0.000000   14.198775
   Si   O    H 
    32    64    10
Direct configuration=  1201
   0.16929823  0.17211374 -0.02799646
   0.36195144  0.07909200  0.37583056
   0.12747522  0.39731934  0.11467274
   0.36136117  0.32755745  0.24774720
   0.10425761  0.15622595  0.47780109
   0.42858074  0.14740654  0.86044676
   0.09687764  0.40738026  0.62763614
   0.35019955  0.39283107  0.75937915
   0.11637731  0.67963778  0.00298836
   0.38566426  0.57431388  0.36366761
   0.05075868  0.89947286  0.14602005
   0.32931409  0.83381521  0.25435709
   0.16736709  0.66443663  0.51084782
   0.35491322  0.65994501  0.87979083
   0.06190442  0.91702469  0.62094414
   0.32930259  0.98677128  0.70340708
   0.65518693  0.15135618  1.00778543
   0.86174516  0.12870448  0.36360746
   0.60349934  0.42188577  0.11623085
   0.86109689  0.31888323  0.18321890
   0.61844926  0.19130326  0.49802715
   0.89257519  0.11890498  0.87851506
   0.56331467  0.46448261  0.62161594
   0.74462024  0.36818864  0.79059396
   0.60649820  0.67065574 -0.00870547
   0.91398004  0.59740167  0.38998247
   0.56932627  0.90382514  0.12995034
   0.80362487  0.83860074  0.27675373
   0.64615821  0.64026462  0.47152635
   0.86793237  0.61522567  0.89068020
   0.60966783  0.93707636  0.63939675
   0.83707989  0.87426656  0.76599759
   0.05785393  0.06103168  0.13348654
   0.35818180  0.17110004  0.27522746
   0.10768843  0.30787520  0.02446988
   0.31421474  0.43478306  0.33847539
   0.50756214  0.37032477  0.20750562
   0.27880665  0.37884140  0.15319795
   0.26606404  0.09266094  0.46997934
   0.02734808  0.15107472  0.37731230
   0.03051994  0.05474386  0.55367623
   0.45627706  0.27737360  0.78625692
   0.12413315  0.29839019  0.53080166
   0.32455143  0.50422036  0.84588289
   0.41513032  0.47785487  0.66420086
   0.20474363  0.33779995  0.70860771
   0.30711434  0.22581756 -0.08108122
   0.05290751  0.15327714  0.89342981
   0.08903148  0.55207514  0.07666826
   0.38203867  0.67356732  0.27219219
   0.07317084  0.81986120  0.04615360
   0.37103417  0.92478561  0.33979997
   0.40521819  0.88463592  0.15374171
   0.16268193  0.85962323  0.22813229
   0.31303279  0.64283581  0.45015430
   0.05244716  0.67667350  0.42481405
   0.15870941  0.54274709  0.58166024
   0.29215412  0.75022898  0.79370694
   0.14733935  0.80691960  0.55965346
   0.38515886  1.00572855  0.81417231
   0.44415846  0.89367071  0.65341412
   0.15697328  0.95820344  0.70680896
   0.28345702  0.68642128 -0.01474715
   0.02871155  0.64897169  0.90656546
   0.60635528  0.05708151  0.09646780
   0.82677121  0.20073452  0.25810539
   0.61719897  0.31021723  0.03429242
   0.94896324  0.44364924  0.35945791
   0.01343450  0.38367867  0.20171583
   0.74711801  0.44136011  0.16074386
   0.77266363  0.18239333  0.45943359
   0.51529292  0.13331195  0.41337675
   0.61482864  0.07874100  0.58086263
   0.82068298  0.21690949  0.79661229
   0.56208466  0.33577056  0.54273858
   0.86328915  0.46712919  0.84427551
   0.95230869  0.42188615  0.66638506
   0.69720211  0.42565223  0.69234251
   0.81935981  0.15689590  0.98144466
   0.56960061  0.11203673  0.91666566
   0.54541702  0.57714303  0.07706240
   0.81065969  0.68448751  0.31873265
   0.60861805  0.82387796  0.03420520
   0.83065187  0.96645055  0.35770111
   0.90185542  0.85636200  0.18111337
   0.64512553  0.86449380  0.23843441
   0.80656363  0.59601073  0.48440352
   0.55190464  0.55602431  0.39627370
   0.59575441  0.60769174  0.57757536
   0.81320983  0.73214188  0.81847049
   0.61758749  0.79873397  0.44277251
   0.89928485  0.96625073  0.84671242
   0.92198738  0.87022771  0.66557117
   0.69066467  0.94915604  0.73518403
   0.76779252  0.62288611  0.97617014
   0.52490766  0.66825817  0.88816065
   0.69376294  0.83533946  0.58501267
   0.63651503  0.86317039  0.49580815
   0.90096207  0.25451328  0.09885550
   1.00929614  0.44008211  0.31311136
   0.31009288  0.11347602  0.62994844
   0.22089160  0.70301218  0.75801967
  -0.02182817  1.12311376  0.15942340
   0.21440773  1.04341933  0.01808866
   0.63400074  0.37917477  0.86058561
   0.85601512  0.46810935  0.66363454
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772118    0.300677   -0.017340
    -0.000000    9.862832    0.185856
    -0.000000    0.000000   14.200593
   Si   O    H 
    32    64    10
Direct configuration=  1202
   0.16867028  0.17217591 -0.02825216
   0.36155411  0.08177316  0.37557525
   0.12679958  0.39768468  0.11411876
   0.36097570  0.32831503  0.24811233
   0.10383100  0.15420898  0.47790799
   0.42933730  0.14765166  0.86017294
   0.09752675  0.40648491  0.62853324
   0.34917856  0.39221518  0.75962606
   0.11715190  0.67869917  0.00346712
   0.38473061  0.57406974  0.36351381
   0.04956884  0.90058991  0.14563919
   0.32852094  0.83469132  0.25371189
   0.16782427  0.66414340  0.51022026
   0.35373821  0.66039245  0.87952815
   0.06174226  0.91696868  0.62175839
   0.33013133  0.98708912  0.70364598
   0.65489943  0.15163238  1.00731260
   0.86154586  0.12725049  0.36421311
   0.60494342  0.42228497  0.11702255
   0.86181980  0.31917216  0.18245663
   0.61862376  0.19117831  0.49686972
   0.89286840  0.11828551  0.87862782
   0.56419485  0.46445819  0.62196690
   0.74418252  0.36791745  0.79169846
   0.60657462  0.67053893 -0.00804329
   0.91451786  0.59638818  0.38954669
   0.56816778  0.90211668  0.13022489
   0.80301893  0.83932162  0.27675607
   0.64602194  0.63984528  0.47149323
   0.86903591  0.61344719  0.88963599
   0.60932798  0.93805592  0.63921340
   0.83799103  0.87398323  0.76595916
   0.05770827  0.06383066  0.13288347
   0.35585826  0.17137480  0.27435681
   0.10849331  0.30790820  0.02444835
   0.31489729  0.43417285  0.33769862
   0.50965490  0.36981253  0.20634526
   0.27862445  0.37881780  0.15355294
   0.26407661  0.09177287  0.46965412
   0.02795979  0.15296647  0.37641482
   0.02976006  0.05436828  0.55300517
   0.45620083  0.27918757  0.78742213
   0.12361253  0.29749587  0.53141451
   0.32474488  0.50391857  0.84521973
   0.41459221  0.47587007  0.66640376
   0.20692558  0.33918106  0.70845630
   0.30890236  0.22647442 -0.08247805
   0.05464931  0.15260268  0.89339324
   0.08622792  0.55263974  0.07659612
   0.38090957  0.67275835  0.27175065
   0.07255002  0.81996786  0.04571826
   0.37152920  0.92284014  0.33975108
   0.40654155  0.88467075  0.15420206
   0.16248116  0.86030472  0.22866520
   0.31390022  0.64296217  0.44920956
   0.05119077  0.67684659  0.42451100
   0.15906025  0.54435011  0.58179376
   0.29114609  0.75049486  0.79189354
   0.14636615  0.80851711  0.55977503
   0.38443196  1.00551200  0.81433619
   0.44359324  0.89403118  0.65398182
   0.15907626  0.95943516  0.70582452
   0.28264020  0.68592908 -0.01492362
   0.02916878  0.64924975  0.90577266
   0.60802323  0.05884478  0.09714184
   0.82735760  0.20189506  0.25920842
   0.61714845  0.30931676  0.03441069
   0.94964201  0.44439046  0.35969365
   0.01411785  0.38167369  0.20041618
   0.74783916  0.44205783  0.16232648
   0.77410139  0.18198207  0.45915276
   0.51345971  0.13449290  0.41254282
   0.61520661  0.07732081  0.58106698
   0.81974413  0.21780387  0.79700707
   0.56213673  0.33632824  0.54236674
   0.86361830  0.46626408  0.84412928
   0.95001061  0.42339784  0.66672067
   0.69758133  0.42523440  0.69149857
   0.81867370  0.15574788  0.98169676
   0.57129209  0.10925623  0.91659676
   0.54526908  0.57709104  0.07740699
   0.81049484  0.68459552  0.31828814
   0.60985750  0.82446852  0.03341060
   0.83288341  0.96597594  0.35814114
   0.90289170  0.85527526  0.18037273
   0.64555158  0.86524659  0.23919287
   0.80521657  0.59718812  0.48459824
   0.55275908  0.55668419  0.39674987
   0.59644957  0.60786010  0.57878127
   0.81211620  0.73202610  0.81861671
   0.61926355  0.79997852  0.44196261
   0.89940252  0.96682206  0.84668578
   0.92190965  0.87054842  0.66662626
   0.69156386  0.94844967  0.73491752
   0.76608374  0.62297583  0.97569918
   0.52474734  0.66971055  0.88936097
   0.69788753  0.84100753  0.58541865
   0.64264260  0.85890496  0.49493810
   0.90662044  0.24807222  0.09400746
   1.02217507  0.44745550  0.30307731
   0.31221340  0.11410145  0.63065779
   0.21990741  0.70709565  0.75260762
  -0.01278314  1.11544939  0.15561977
   0.21016958  1.04687539  0.02140674
   0.63207275  0.38139374  0.86514059
   0.87079475  0.45550418  0.65999350
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.773276    0.305140   -0.019000
    -0.000000    9.863576    0.186503
    -0.000000    0.000000   14.202595
   Si   O    H 
    32    64    10
Direct configuration=  1203
   0.16802003  0.17215274 -0.02831213
   0.36149031  0.08374496  0.37518116
   0.12608301  0.39864448  0.11331359
   0.36023814  0.33011183  0.24850458
   0.10402512  0.15192049  0.47861804
   0.42978067  0.14790441  0.85962705
   0.09851276  0.40589685  0.62917502
   0.34806664  0.39209310  0.75974111
   0.11734612  0.67785051  0.00393758
   0.38455164  0.57446339  0.36327321
   0.04869875  0.90141274  0.14551170
   0.32793354  0.83469043  0.25284685
   0.16834359  0.66365915  0.50922889
   0.35306276  0.66064250  0.87933634
   0.06281966  0.91712243  0.62212962
   0.33028779  0.98754777  0.70418022
   0.65554635  0.15152156  1.00689956
   0.86121431  0.12606786  0.36440144
   0.60595299  0.42318140  0.11735640
   0.86245297  0.31927849  0.18136215
   0.61897200  0.19107984  0.49616856
   0.89295806  0.11826855  0.87835441
   0.56528924  0.46397537  0.62169218
   0.74404311  0.36788478  0.79374430
   0.60690125  0.67111689 -0.00707882
   0.91410302  0.59589394  0.38916337
   0.56668461  0.90150000  0.13053825
   0.80244006  0.83984074  0.27676556
   0.64575316  0.63973742  0.47140297
   0.86977982  0.61156394  0.88857681
   0.60912086  0.93871447  0.63884285
   0.83896305  0.87346567  0.76578045
   0.05816784  0.06585840  0.13177767
   0.35321541  0.17123565  0.27398423
   0.10945131  0.30733268  0.02383464
   0.31522451  0.43381686  0.33690432
   0.51099557  0.36904821  0.20515421
   0.27772112  0.37971873  0.15423317
   0.26208072  0.09057664  0.46913924
   0.02808831  0.15541469  0.37612338
   0.02891931  0.05300740  0.55227430
   0.45671437  0.28061205  0.78788752
   0.12389619  0.29738569  0.53271936
   0.32514549  0.50400906  0.84412941
   0.41402510  0.47374865  0.66860474
   0.20864881  0.34047815  0.70899530
   0.30965409  0.22700942 -0.08407429
   0.05576974  0.15094354  0.89273554
   0.08375355  0.55367528  0.07664837
   0.37926595  0.67225567  0.27094359
   0.07227391  0.82048058  0.04550262
   0.37170928  0.92115231  0.34013191
   0.40693588  0.88515949  0.15446919
   0.16241953  0.86066855  0.22962297
   0.31384314  0.64325580  0.44876086
   0.05024853  0.67705613  0.42449256
   0.15892678  0.54617960  0.58243502
   0.29001843  0.75125230  0.78988515
   0.14608296  0.80986128  0.55981464
   0.38337450  1.00540220  0.81340124
   0.44288025  0.89402765  0.65456602
   0.16116810  0.96013532  0.70510759
   0.28267386  0.68551020 -0.01563059
   0.03021905  0.64949020  0.90492201
   0.60965388  0.05976037  0.09823550
   0.82717748  0.20343927  0.26051142
   0.61702357  0.30876625  0.03421825
   0.95002848  0.44551930  0.35948978
   0.01491348  0.38038171  0.19929431
   0.74890558  0.44252304  0.16436566
   0.77662085  0.18154042  0.45844672
   0.51180652  0.13592078  0.41233632
   0.61538584  0.07601885  0.58108148
   0.81880934  0.21840182  0.79701144
   0.56198611  0.33609306  0.54190513
   0.86405139  0.46518973  0.84374989
   0.94961046  0.42400271  0.66732707
   0.69740164  0.42491744  0.69047032
   0.81753702  0.15417755  0.98192262
   0.57230683  0.10653257  0.91641502
   0.54583475  0.57713416  0.07803912
   0.81017234  0.68461786  0.31870770
   0.61095477  0.82543192  0.03302578
   0.83411225  0.96552694  0.35867698
   0.90332052  0.85317771  0.18069948
   0.64572336  0.86673402  0.23936776
   0.80488289  0.59759492  0.48490852
   0.55347182  0.55636037  0.39698186
   0.59696097  0.60839832  0.57974161
   0.81096124  0.73160605  0.81816524
   0.62014067  0.80073294  0.44093129
   0.89950053  0.96657653  0.84747778
   0.92212427  0.87095416  0.66759995
   0.69250182  0.94745430  0.73476508
   0.76436220  0.62230986  0.97545629
   0.52493270  0.67020574  0.89043601
   0.70032655  0.84780862  0.58446158
   0.64797089  0.85343790  0.49219280
   0.90666985  0.24729060  0.09262100
   1.02347386  0.44916020  0.29915486
   0.31511061  0.11205814  0.63561225
   0.22505455  0.71344705  0.75136081
  -0.01918634  1.12168872  0.15678040
   0.20987135  1.05201128  0.02346345
   0.63394956  0.38279318  0.86630175
   0.85317040  0.45676526  0.65369107
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774460    0.309383   -0.020516
    -0.000000    9.864357    0.187283
    -0.000000    0.000000   14.204628
   Si   O    H 
    32    64    10
Direct configuration=  1204
   0.16785168  0.17225323 -0.02860282
   0.36250986  0.08550382  0.37504699
   0.12509674  0.39979968  0.11289384
   0.35958101  0.33252415  0.24922862
   0.10454426  0.15011985  0.47971336
   0.43006324  0.14746664  0.85941111
   0.09961070  0.40505543  0.62951290
   0.34696490  0.39301102  0.75954815
   0.11763406  0.67715248  0.00417430
   0.38464778  0.57486936  0.36291734
   0.04840937  0.90159536  0.14536692
   0.32787398  0.83414276  0.25194467
   0.16939007  0.66323695  0.50759156
   0.35320942  0.66061317  0.87905200
   0.06401200  0.91778588  0.62247768
   0.33027424  0.98786590  0.70476952
   0.65599187  0.15137735  1.00653988
   0.86101324  0.12485297  0.36445579
   0.60671733  0.42380415  0.11723005
   0.86308566  0.31965365  0.17993422
   0.61976324  0.19087032  0.49538221
   0.89352716  0.11856245  0.87792034
   0.56597091  0.46340746  0.62123310
   0.74436069  0.36857289  0.79561117
   0.60731786  0.67159219 -0.00599780
   0.91355577  0.59554126  0.38922006
   0.56578891  0.90123246  0.13152255
   0.80194477  0.84048124  0.27633422
   0.64570375  0.64035787  0.47086570
   0.87051862  0.60993515  0.88740880
   0.60854157  0.93935102  0.63853146
   0.83938308  0.87331126  0.76539318
   0.05793486  0.06799724  0.13063499
   0.35042951  0.17123228  0.27373285
   0.11030772  0.30681623  0.02315056
   0.31611125  0.43285017  0.33581881
   0.51309618  0.36784405  0.20438726
   0.27655053  0.38033574  0.15483131
   0.26076572  0.08923903  0.46835103
   0.02662964  0.15796916  0.37587514
   0.02763604  0.05179380  0.55195354
   0.45768032  0.28063596  0.78824597
   0.12434278  0.29729173  0.53418160
   0.32581642  0.50376068  0.84316681
   0.41384199  0.47258289  0.67029572
   0.21022223  0.34120022  0.70987910
   0.31016054  0.22783806 -0.08545542
   0.05692685  0.14824682  0.89182966
   0.08029923  0.55483252  0.07654634
   0.37785506  0.67268659  0.27034631
   0.07199371  0.82090652  0.04524530
   0.37188186  0.91978059  0.34079992
   0.40717330  0.88576062  0.15478416
   0.16254186  0.86035443  0.23017681
   0.31306524  0.64341307  0.44893864
   0.04933694  0.67711411  0.42400606
   0.15880869  0.54752832  0.58305573
   0.28913068  0.75266807  0.78863724
   0.14674726  0.81109950  0.56013402
   0.38373852  1.00507314  0.81266919
   0.44221658  0.89363751  0.65573562
   0.16363998  0.96078852  0.70495284
   0.28362555  0.68564949 -0.01692043
   0.03118896  0.64967257  0.90439163
   0.61106871  0.05973605  0.09977181
   0.82751865  0.20513931  0.26221438
   0.61662323  0.30873761  0.03372618
   0.95125325  0.44714015  0.35848437
   0.01619882  0.37874301  0.19849112
   0.75083224  0.44343336  0.16685267
   0.77858208  0.18179186  0.45679939
   0.51060401  0.13739610  0.41249904
   0.61578824  0.07458268  0.58105222
   0.81735171  0.21797934  0.79669791
   0.56148003  0.33510797  0.54151698
   0.86393385  0.46449259  0.84345306
   0.94875934  0.42551124  0.66825578
   0.69704558  0.42460069  0.68920951
   0.81554932  0.15172135  0.98192508
   0.57259823  0.10355718  0.91667629
   0.54621452  0.57727724  0.07845947
   0.80941266  0.68466578  0.31889802
   0.61258488  0.82647861  0.03288465
   0.83503130  0.96389042  0.35884740
   0.90388921  0.85049987  0.18105076
   0.64591968  0.86781117  0.23921050
   0.80504008  0.59767211  0.48468651
   0.55343760  0.55543672  0.39699948
   0.59721775  0.61017238  0.58083248
   0.80936922  0.73058552  0.81752941
   0.62062067  0.80023439  0.43939859
   0.89974014  0.96712591  0.84770374
   0.92245360  0.87072671  0.66879038
   0.69280230  0.94738673  0.73464778
   0.76146729  0.62143044  0.97594113
   0.52463470  0.67068719  0.89137550
   0.70173235  0.85331902  0.58273194
   0.65363119  0.85361167  0.49168744
   0.89829860  0.24624143  0.09460315
   1.01654658  0.44568988  0.30170819
   0.32210005  0.10544157  0.64354608
   0.22553785  0.71321451  0.74641992
  -0.02206307  1.12558649  0.15609605
   0.21187715  1.05259796  0.02406628
   0.63867916  0.38444193  0.86622585
   0.84277187  0.45377176  0.64614340
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.775558    0.313306   -0.022392
    -0.000000    9.864877    0.188199
    -0.000000    0.000000   14.206796
   Si   O    H 
    32    64    10
Direct configuration=  1205
   0.16779462  0.17271711 -0.02928083
   0.36304450  0.08661067  0.37480296
   0.12460813  0.40179480  0.11279950
   0.35948781  0.33457758  0.24984927
   0.10513363  0.14907861  0.48116477
   0.43049977  0.14728511  0.85877804
   0.10070409  0.40407020  0.62935793
   0.34613218  0.39438778  0.75927093
   0.11800495  0.67625495  0.00385112
   0.38439442  0.57505283  0.36227195
   0.04848379  0.90186942  0.14554016
   0.32727894  0.83365449  0.25071854
   0.17045562  0.66333179  0.50586332
   0.35325585  0.66068562  0.87893714
   0.06524835  0.91799876  0.62267411
   0.32965591  0.98827164  0.70557032
   0.65667796  0.15134634  1.00619742
   0.86134556  0.12373970  0.36455028
   0.60707362  0.42432466  0.11698654
   0.86381223  0.32037530  0.17914998
   0.62016553  0.19117058  0.49467917
   0.89411233  0.11935218  0.87746745
   0.56631710  0.46319914  0.62082364
   0.74482250  0.36960513  0.79755691
   0.60724597  0.67212550 -0.00494736
   0.91268434  0.59543005  0.38933155
   0.56577458  0.90097469  0.13225875
   0.80178373  0.84135397  0.27590384
   0.64592408  0.64113054  0.47043057
   0.87092603  0.60862086  0.88609614
   0.60778580  0.93928569  0.63831509
   0.83973359  0.87365650  0.76520718
   0.05730718  0.07072495  0.12979755
   0.34795898  0.17169626  0.27288473
   0.11110069  0.30616029  0.02332785
   0.31677347  0.43144532  0.33483602
   0.51386974  0.36673941  0.20392565
   0.27539542  0.38180968  0.15571380
   0.25954619  0.08856260  0.46776545
   0.02599776  0.15953327  0.37564655
   0.02644207  0.05036350  0.55188091
   0.45832404  0.28010725  0.78865769
   0.12513980  0.29681805  0.53540245
   0.32685306  0.50379543  0.84249224
   0.41431038  0.47253940  0.67184546
   0.21112560  0.34177809  0.71104909
   0.31066823  0.22828619 -0.08663490
   0.05825520  0.14641423  0.89103790
   0.07782348  0.55604024  0.07692134
   0.37616658  0.67327387  0.26957066
   0.07183867  0.82153060  0.04535210
   0.37170629  0.91886186  0.34166457
   0.40788957  0.88593079  0.15573236
   0.16298448  0.86026840  0.23067640
   0.31157749  0.64410769  0.44918456
   0.04806677  0.67708241  0.42342780
   0.15837806  0.54788018  0.58348287
   0.28899503  0.75433340  0.78806493
   0.14769073  0.81173050  0.56002544
   0.38447019  1.00436595  0.81252173
   0.44261194  0.89379298  0.65670234
   0.16544691  0.96175957  0.70482574
   0.28362370  0.68496959 -0.01809548
   0.03255949  0.64962579  0.90380483
   0.61236323  0.05978514  0.10166233
   0.82759955  0.20628880  0.26442089
   0.61648908  0.30823533  0.03371067
   0.95287488  0.44854673  0.35730311
   0.01824086  0.37802987  0.19780072
   0.75390695  0.44404683  0.16921242
   0.78118500  0.18213592  0.45563426
   0.50990513  0.13909252  0.41278061
   0.61589414  0.07356702  0.58035095
   0.81560692  0.21737628  0.79603104
   0.56183712  0.33451031  0.54076417
   0.86406454  0.46361547  0.84267061
   0.94735738  0.42698857  0.66939862
   0.69629865  0.42392682  0.68859929
   0.81375775  0.14913368  0.98147279
   0.57243412  0.10047742  0.91653681
   0.54617993  0.57689871  0.07889864
   0.80938401  0.68479066  0.31916822
   0.61470781  0.82780486  0.03302215
   0.83595808  0.96279515  0.35919574
   0.90405245  0.84793371  0.18153344
   0.64508393  0.86954234  0.23854209
   0.80585595  0.59881898  0.48403731
   0.55294872  0.55457062  0.39706617
   0.59757073  0.61239221  0.58117441
   0.80829451  0.72962438  0.81655909
   0.62134920  0.79991045  0.43819486
   0.89873405  0.96739245  0.84810596
   0.92301143  0.87023262  0.67028957
   0.69303706  0.94695842  0.73478889
   0.75897708  0.62046136  0.97655508
   0.52370228  0.67097754  0.89225912
   0.69923458  0.85979391  0.58217019
   0.66170265  0.85273405  0.49197596
   0.88593310  0.24537866  0.09508089
   1.00584080  0.44403160  0.30684964
   0.32797393  0.10485498  0.64831644
   0.22214968  0.71265637  0.74184162
  -0.02292591  1.12313030  0.15373826
   0.21602871  1.05045315  0.02486677
   0.64280882  0.38610049  0.86579718
   0.84633019  0.44479730  0.64214070
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.776636    0.317083   -0.024651
    -0.000000    9.865235    0.189577
    -0.000000    0.000000   14.208851
   Si   O    H 
    32    64    10
Direct configuration=  1206
   0.16808369  0.17301980 -0.03008919
   0.36379638  0.08706991  0.37466828
   0.12361585  0.40447930  0.11221137
   0.36005668  0.33566470  0.24998752
   0.10539249  0.14860007  0.48251971
   0.43068443  0.14640897  0.85829659
   0.10216207  0.40296099  0.62951328
   0.34572625  0.39599154  0.75931515
   0.11864399  0.67528993  0.00396940
   0.38474760  0.57509309  0.36176978
   0.04942952  0.90253783  0.14624648
   0.32630839  0.83351948  0.24896012
   0.17148017  0.66360002  0.50435774
   0.35322287  0.66055403  0.87840102
   0.06600340  0.91828072  0.62291587
   0.32929095  0.98823282  0.70619212
   0.65681598  0.15044136  1.00578855
   0.86126388  0.12382026  0.36442746
   0.60718478  0.42499482  0.11685880
   0.86435047  0.32102636  0.17910435
   0.62013802  0.19155726  0.49385775
   0.89495428  0.11998509  0.87733963
   0.56616074  0.46296321  0.62035224
   0.74525916  0.37047510  0.79919068
   0.60712480  0.67288973 -0.00399408
   0.91155469  0.59584863  0.38981597
   0.56635993  0.90074393  0.13271340
   0.80130161  0.84227712  0.27552830
   0.64632169  0.64128077  0.47004631
   0.87113965  0.60767831  0.88488383
   0.60650030  0.93859540  0.63868009
   0.83990274  0.87350120  0.76511915
   0.05767719  0.07277567  0.12898688
   0.34588879  0.17215993  0.27208623
   0.11231973  0.30531152  0.02343114
   0.31640321  0.42971491  0.33358259
   0.51500837  0.36582630  0.20330640
   0.27423471  0.38197714  0.15691982
   0.25857150  0.08786503  0.46684825
   0.02552892  0.16123481  0.37530115
   0.02521570  0.04797314  0.55233631
   0.45989245  0.28029940  0.78891945
   0.12552188  0.29731740  0.53681603
   0.32848489  0.50351962  0.84179695
   0.41518265  0.47269442  0.67249706
   0.21161647  0.34182003  0.71181121
   0.31047149  0.22900227 -0.08769075
   0.05870129  0.14475446  0.89060326
   0.07630265  0.55694120  0.07696980
   0.37437321  0.67465964  0.26905204
   0.07225388  0.82220185  0.04539138
   0.37092107  0.91896426  0.34277014
   0.40841140  0.88583610  0.15633061
   0.16354640  0.86051411  0.23116963
   0.31011721  0.64485093  0.44942227
   0.04728217  0.67650668  0.42276464
   0.15885454  0.54726456  0.58335872
   0.28880921  0.75510910  0.78733378
   0.14867614  0.81218425  0.56002046
   0.38508967  1.00322027  0.81225647
   0.44315016  0.89337283  0.65715159
   0.16703725  0.96214710  0.70414542
   0.28317973  0.68487376 -0.01920324
   0.03318193  0.64857436  0.90363326
   0.61362916  0.05909854  0.10262629
   0.82764683  0.20747635  0.26651464
   0.61520504  0.30768698  0.03363439
   0.95302839  0.44879286  0.35737071
   0.01966009  0.37688007  0.19738482
   0.75699976  0.44369007  0.17116831
   0.78364642  0.18279314  0.45489899
   0.51001392  0.14045407  0.41260727
   0.61611910  0.07416671  0.57930610
   0.81344773  0.21637622  0.79565854
   0.56223378  0.33464197  0.53936713
   0.86314234  0.46361709  0.84226274
   0.94548782  0.42803482  0.67009976
   0.69557503  0.42370241  0.68870482
   0.81295070  0.14709091  0.98098800
   0.57184068  0.09701545  0.91589492
   0.54550753  0.57736152  0.07929858
   0.80954824  0.68526993  0.31950043
   0.61655443  0.82879104  0.03339248
   0.83667437  0.96162503  0.35980956
   0.90386221  0.84557392  0.18224648
   0.64469100  0.87144097  0.23798915
   0.80660829  0.59952387  0.48298988
   0.55088659  0.55377257  0.39702133
   0.59855838  0.61460745  0.58189981
   0.80656137  0.72845078  0.81581261
   0.62266243  0.79991660  0.43735558
   0.89793769  0.96715431  0.84888111
   0.92346855  0.86962100  0.67157853
   0.69375543  0.94689950  0.73465450
   0.75736518  0.61895415  0.97691823
   0.52278663  0.67077857  0.89318017
   0.69689040  0.86072068  0.57929328
   0.66675247  0.85214962  0.48778428
   0.87064349  0.24108862  0.09474696
   1.00964551  0.43986350  0.29955068
   0.33455637  0.10559798  0.64966382
   0.22569470  0.71486536  0.74380866
  -0.02368944  1.11990294  0.15157823
   0.21955274  1.04971913  0.02522342
   0.64274012  0.38696738  0.86771375
   0.86131492  0.43459286  0.64038016
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.778371    0.320420   -0.027061
    -0.000000    9.865432    0.191141
    -0.000000    0.000000   14.210616
   Si   O    H 
    32    64    10
Direct configuration=  1207
   0.16818218  0.17373148 -0.03101111
   0.36414075  0.08744717  0.37415470
   0.12276114  0.40645092  0.11166632
   0.36114079  0.33670730  0.24940856
   0.10527301  0.14848408  0.48380232
   0.43034637  0.14598038  0.85740253
   0.10406897  0.40232789  0.62931991
   0.34573220  0.39779528  0.75930117
   0.11898007  0.67408695  0.00424420
   0.38495321  0.57510783  0.36115373
   0.05092369  0.90348970  0.14668618
   0.32527716  0.83349071  0.24715018
   0.17130271  0.66436446  0.50240792
   0.35375326  0.66004276  0.87724128
   0.06702582  0.91874310  0.62285234
   0.32915347  0.98793192  0.70662788
   0.65668302  0.14950760  1.00604100
   0.86158776  0.12385060  0.36456504
   0.60688471  0.42509780  0.11706755
   0.86423222  0.32081790  0.17922372
   0.62027287  0.19170637  0.49325637
   0.89474835  0.12129322  0.87741153
   0.56567361  0.46226472  0.61975589
   0.74592649  0.37157512  0.80050818
   0.60667733  0.67324275 -0.00335066
   0.90984805  0.59690019  0.39036284
   0.56726997  0.90015206  0.13265952
   0.80055051  0.84355448  0.27550138
   0.64639443  0.64222006  0.46943076
   0.87157438  0.60718065  0.88403051
   0.60500202  0.93760909  0.63859344
   0.83961412  0.87331655  0.76508809
   0.05745053  0.07410368  0.12848409
   0.34511885  0.17266418  0.27191856
   0.11327090  0.30378010  0.02369339
   0.31571407  0.42906824  0.33295864
   0.51603880  0.36510665  0.20273140
   0.27263481  0.38215666  0.15829724
   0.25829358  0.08744696  0.46518263
   0.02553271  0.16286917  0.37521578
   0.02419763  0.04583573  0.55290727
   0.46103406  0.27968554  0.78976170
   0.12607198  0.29767612  0.53829656
   0.32941112  0.50466636  0.84152523
   0.41670586  0.47375577  0.67324354
   0.21215460  0.34193192  0.71232870
   0.30999341  0.22890289 -0.08870660
   0.05841829  0.14270221  0.89032363
   0.07546016  0.55790857  0.07710772
   0.37295556  0.67564438  0.26851208
   0.07233406  0.82294740  0.04510652
   0.37033636  0.91850157  0.34427002
   0.40881973  0.88545172  0.15669537
   0.16329988  0.86030061  0.23135467
   0.30930333  0.64495555  0.45005030
   0.04581574  0.67548910  0.42175852
   0.15848744  0.54700182  0.58348256
   0.28828160  0.75627775  0.78715489
   0.14930211  0.81184738  0.56006831
   0.38549884  1.00242433  0.81191950
   0.44411274  0.89319578  0.65818883
   0.16859855  0.96258021  0.70367433
   0.28352140  0.68447455 -0.02024312
   0.03311211  0.64754615  0.90420754
   0.61357123  0.05827963  0.10349480
   0.82725862  0.20805577  0.26808592
   0.61410294  0.30752424  0.03333322
   0.95245282  0.44863160  0.35739541
   0.02114166  0.37595060  0.19720929
   0.75944050  0.44367201  0.17261341
   0.78583374  0.18343903  0.45437791
   0.51014656  0.14158912  0.41244890
   0.61591337  0.07526709  0.57770926
   0.81109799  0.21600083  0.79500900
   0.56235802  0.33468893  0.53817201
   0.86202503  0.46331049  0.84200112
   0.94486602  0.42858199  0.67152437
   0.69495538  0.42291068  0.68918255
   0.81246897  0.14420903  0.98010219
   0.57077366  0.09358998  0.91479160
   0.54483745  0.57800865  0.07985945
   0.80991993  0.68475138  0.31906338
   0.61837759  0.82964412  0.03401261
   0.83817803  0.96085530  0.36003874
   0.90427487  0.84390210  0.18319201
   0.64498467  0.87293768  0.23720584
   0.80752464  0.59955620  0.48160314
   0.54867753  0.55312251  0.39705613
   0.59971761  0.61644758  0.58217822
   0.80501030  0.72723026  0.81466849
   0.62409326  0.80074343  0.43715785
   0.89632506  0.96680176  0.84948135
   0.92414799  0.86898307  0.67154648
   0.69487976  0.94602263  0.73478658
   0.75690071  0.61715143  0.97673875
   0.52118046  0.66992530  0.89438859
   0.69633210  0.85763828  0.57858625
   0.67409386  0.84805244  0.48418022
   0.85427233  0.23919472  0.09228875
   1.01237198  0.43562303  0.29303849
   0.34002283  0.11266320  0.65053474
   0.22989153  0.71997967  0.74609716
  -0.02504014  1.11936232  0.14841135
   0.21927373  1.04904737  0.02279080
   0.63984786  0.38606577  0.87215456
   0.85992207  0.42614931  0.63431673
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.779818    0.323944   -0.029320
    -0.000000    9.865352    0.192449
    -0.000000    0.000000   14.212174
   Si   O    H 
    32    64    10
Direct configuration=  1208
   0.16855098  0.17370683 -0.03189899
   0.36429224  0.08719348  0.37324294
   0.12266717  0.40759009  0.11098276
   0.36276740  0.33762435  0.24829769
   0.10485970  0.14860740  0.48449610
   0.42993868  0.14605323  0.85682922
   0.10588212  0.40259088  0.62911116
   0.34675733  0.39968231  0.75937290
   0.11891971  0.67329795  0.00439833
   0.38551786  0.57561084  0.36040384
   0.05224304  0.90380818  0.14745040
   0.32448743  0.83341108  0.24567775
   0.17052436  0.66576896  0.50122859
   0.35424424  0.65913556  0.87598452
   0.06819108  0.91881178  0.62304150
   0.32934903  0.98821887  0.70727591
   0.65598365  0.14822998  1.00642301
   0.86144086  0.12391689  0.36459541
   0.60643859  0.42468372  0.11735543
   0.86329323  0.32041382  0.17952802
   0.62031115  0.19181796  0.49228371
   0.89463705  0.12291556  0.87755106
   0.56553699  0.46130837  0.61869685
   0.74627197  0.37179721  0.80135071
   0.60694581  0.67375314 -0.00257334
   0.90833895  0.59793662  0.39112795
   0.56848424  0.89986342  0.13241596
   0.79958429  0.84442976  0.27556437
   0.64620284  0.64274927  0.46900054
   0.87220767  0.60744939  0.88319178
   0.60315602  0.93580251  0.63903536
   0.83909978  0.87350075  0.76520343
   0.05747996  0.07510373  0.12750953
   0.34474801  0.17348188  0.27186979
   0.11410680  0.30324696  0.02376877
   0.31484223  0.42966514  0.33259367
   0.51691072  0.36427602  0.20269033
   0.27069037  0.38242051  0.15932415
   0.25843911  0.08720086  0.46374431
   0.02575564  0.16405900  0.37546187
   0.02334824  0.04358424  0.55266696
   0.46214964  0.27868380  0.79030114
   0.12550442  0.29765277  0.53995024
   0.32997752  0.50626272  0.84161918
   0.41834279  0.47482284  0.67336106
   0.21214026  0.34257655  0.71323389
   0.30946657  0.22790532 -0.08937703
   0.05757020  0.14006285  0.89001938
   0.07467753  0.55729478  0.07760541
   0.37231431  0.67671909  0.26775022
   0.07264112  0.82329532  0.04519899
   0.36866448  0.91893298  0.34553255
   0.40916526  0.88509540  0.15671110
   0.16352601  0.86002276  0.23165823
   0.30913879  0.64558666  0.45050299
   0.04475425  0.67429159  0.42110298
   0.15802586  0.54544470  0.58396674
   0.28916264  0.75831632  0.78724831
   0.15068813  0.81128803  0.56038741
   0.38571208  1.00227811  0.81136155
   0.44534655  0.89226805  0.65840932
   0.16979040  0.96294876  0.70292192
   0.28333887  0.68343287 -0.02091068
   0.03366844  0.64664494  0.90448985
   0.61368016  0.05802104  0.10394057
   0.82711749  0.20923266  0.26897187
   0.61311793  0.30681494  0.03283568
   0.95197637  0.44816246  0.35596518
   0.02201258  0.37486480  0.19676228
   0.76183076  0.44433357  0.17323888
   0.78694016  0.18438805  0.45392967
   0.51024744  0.14299337  0.41261579
   0.61580543  0.07717525  0.57661576
   0.80964078  0.21476433  0.79495912
   0.56287930  0.33567200  0.53766440
   0.86133849  0.46300966  0.84216012
   0.94475906  0.42867961  0.67201071
   0.69408148  0.42197154  0.68987196
   0.81265705  0.14127087  0.97887149
   0.56985753  0.09040471  0.91350156
   0.54339767  0.57816605  0.07989997
   0.81069269  0.68478639  0.31869879
   0.61886587  0.82985257  0.03421880
   0.84024358  0.95995725  0.35986545
   0.90441067  0.84325386  0.18436872
   0.64526013  0.87407835  0.23601338
   0.80753139  0.59887635  0.48001330
   0.54686288  0.55239815  0.39649770
   0.59975013  0.61822968  0.58211318
   0.80339434  0.72652402  0.81415091
   0.62516800  0.80160343  0.43728285
   0.89529791  0.96614257  0.85027839
   0.92591316  0.86824789  0.67119862
   0.69508492  0.94538669  0.73477549
   0.75781274  0.61507129  0.97642814
   0.51844656  0.66902508  0.89524805
   0.69774077  0.85078566  0.58026134
   0.68059901  0.85001680  0.48149725
   0.84163646  0.24033061  0.09348110
   1.00539499  0.43240798  0.29033909
   0.34321184  0.11932444  0.65146236
   0.22395290  0.71373837  0.74395924
  -0.03433497  1.12351038  0.14674758
   0.21588102  1.05435707  0.01714163
   0.63931683  0.38491292  0.87356082
   0.86153405  0.41486844  0.62939755
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.780918    0.327006   -0.031566
    -0.000000    9.864979    0.194202
    -0.000000    0.000000   14.213844
   Si   O    H 
    32    64    10
Direct configuration=  1209
   0.16918170  0.17404699 -0.03292540
   0.36425707  0.08722134  0.37266945
   0.12318278  0.40820950  0.11025308
   0.36445949  0.33863496  0.24687017
   0.10463045  0.14915319  0.48484934
   0.42996156  0.14623423  0.85625778
   0.10779233  0.40279656  0.62941585
   0.34802581  0.40146485  0.75888987
   0.11917283  0.67223062  0.00413230
   0.38612736  0.57617907  0.35978957
   0.05349300  0.90388556  0.14865182
   0.32426778  0.83314735  0.24463360
   0.16958096  0.66743728  0.50021341
   0.35445836  0.65870654  0.87476164
   0.06907717  0.91869979  0.62281332
   0.32977120  0.98904496  0.70756265
   0.65536999  0.14671635  1.00675229
   0.86151485  0.12420975  0.36475812
   0.60606330  0.42415335  0.11767688
   0.86248085  0.31963187  0.18067189
   0.62014866  0.19238236  0.49104645
   0.89425348  0.12458696  0.87763155
   0.56614542  0.46035458  0.61790275
   0.74704963  0.37227898  0.80179809
   0.60736638  0.67419061 -0.00188229
   0.90694797  0.59914446  0.39180723
   0.56986806  0.89965488  0.13171843
   0.79917579  0.84476644  0.27606512
   0.64579028  0.64280094  0.46866673
   0.87224881  0.60871385  0.88255747
   0.60141588  0.93376911  0.63946513
   0.83819168  0.87350036  0.76557235
   0.05755776  0.07506315  0.12652016
   0.34441213  0.17446652  0.27202790
   0.11513989  0.30331050  0.02390338
   0.31475036  0.43012944  0.33227806
   0.51804869  0.36273147  0.20264496
   0.26852404  0.38288465  0.15979540
   0.25834676  0.08699451  0.46244162
   0.02622776  0.16429946  0.37559858
   0.02244061  0.04156302  0.55183458
   0.46308015  0.27779049  0.79125120
   0.12450615  0.29798469  0.54117055
   0.33032580  0.50772571  0.84209131
   0.41968686  0.47605233  0.67288640
   0.21118028  0.34319709  0.71350327
   0.30891768  0.22611921 -0.08970173
   0.05603728  0.13819341  0.88896171
   0.07467455  0.55640726  0.07829193
   0.37039300  0.67783393  0.26698754
   0.07316218  0.82364668  0.04499001
   0.36694641  0.91892823  0.34665815
   0.40888675  0.88523633  0.15573821
   0.16344932  0.85891593  0.23231737
   0.30897535  0.64574747  0.45071944
   0.04335450  0.67366118  0.42056062
   0.15719432  0.54355851  0.58397096
   0.28946303  0.75968356  0.78711747
   0.15201100  0.81008471  0.56049103
   0.38694638  1.00174401  0.81078625
   0.44670764  0.89065542  0.65856540
   0.17074664  0.96331016  0.70194787
   0.28259639  0.68203962 -0.02118416
   0.03443467  0.64507128  0.90516153
   0.61471145  0.05787213  0.10396771
   0.82687218  0.21002253  0.26944115
   0.61291527  0.30662114  0.03266250
   0.95151330  0.44770299  0.35511298
   0.02263442  0.37409716  0.19588147
   0.76310193  0.44527069  0.17330448
   0.78713432  0.18554377  0.45411582
   0.51050995  0.14391368  0.41361917
   0.61609630  0.07879154  0.57618453
   0.80819871  0.21417231  0.79482457
   0.56308921  0.33709889  0.53705835
   0.86110491  0.46190893  0.84234336
   0.94555907  0.42843622  0.67230141
   0.69305161  0.42012838  0.69101444
   0.81292929  0.13831287  0.97785968
   0.57027480  0.08820378  0.91215121
   0.54227944  0.57836107  0.07949638
   0.81274952  0.68461959  0.31804940
   0.61893675  0.82918190  0.03466735
   0.84329514  0.95820851  0.35958892
   0.90552177  0.84302623  0.18549080
   0.64532302  0.87561909  0.23491558
   0.80747932  0.59848414  0.47893017
   0.54502615  0.55246875  0.39616515
   0.59946030  0.62002654  0.58191728
   0.80166697  0.72580477  0.81324744
   0.62675284  0.80326632  0.43747920
   0.89465671  0.96515819  0.85085078
   0.92873877  0.86851693  0.67073957
   0.69626224  0.94471580  0.73499492
   0.76017012  0.61361042  0.97603764
   0.51605099  0.66742223  0.89648838
   0.69826755  0.84353200  0.58431422
   0.68485732  0.85681842  0.48098546
   0.83602326  0.24214751  0.09577175
   0.99537050  0.43154898  0.29458372
   0.34623875  0.11939778  0.65153826
   0.22364026  0.70957645  0.74366620
  -0.03528707  1.12248612  0.14305546
   0.21501111  1.05601272  0.01117387
   0.63805917  0.38395476  0.87216124
   0.87194614  0.40611187  0.62930061
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.781915    0.330422   -0.033379
    -0.000000    9.864479    0.196100
    -0.000000    0.000000   14.215438
   Si   O    H 
    32    64    10
Direct configuration=  1210
   0.17022266  0.17453900 -0.03363930
   0.36456310  0.08656099  0.37224689
   0.12398528  0.40794620  0.10974367
   0.36527405  0.33938735  0.24538069
   0.10427900  0.15009361  0.48529331
   0.43048979  0.14627424  0.85557727
   0.10885284  0.40261984  0.62930373
   0.34950111  0.40260295  0.75844126
   0.11974633  0.67097597  0.00361938
   0.38730262  0.57727588  0.35932056
   0.05381177  0.90378105  0.15013730
   0.32420460  0.83272744  0.24381767
   0.16843837  0.66928754  0.49992153
   0.35437267  0.65821298  0.87359614
   0.06967931  0.91833429  0.62219535
   0.33005376  0.98920641  0.70742659
   0.65474471  0.14562848  1.00718452
   0.86161754  0.12453014  0.36500445
   0.60691742  0.42395254  0.11786226
   0.86169126  0.31886209  0.18213463
   0.62026458  0.19271038  0.48996572
   0.89410519  0.12560581  0.87766133
   0.56653507  0.45934782  0.61740072
   0.74755215  0.37247378  0.80210408
   0.60760203  0.67424528 -0.00163210
   0.90644984  0.60024164  0.39220013
   0.57178250  0.89933406  0.13071871
   0.79912595  0.84526177  0.27701450
   0.64552665  0.64245862  0.46835942
   0.87237244  0.61091006  0.88228540
   0.59991191  0.93220933  0.63996192
   0.83714631  0.87331796  0.76639237
   0.05747128  0.07548731  0.12560590
   0.34440645  0.17585977  0.27270956
   0.11551109  0.30234223  0.02432222
   0.31557302  0.43142049  0.33243712
   0.51929823  0.36181540  0.20288122
   0.26633590  0.38269293  0.16046749
   0.25787000  0.08713917  0.46157960
   0.02619494  0.16487585  0.37630318
   0.02167337  0.03972783  0.55105103
   0.46370427  0.27750586  0.79113750
   0.12357931  0.29750500  0.54173665
   0.33123129  0.50884404  0.84262609
   0.42083183  0.47742160  0.67287576
   0.21030474  0.34341276  0.71355639
   0.30816256  0.22475013 -0.08970285
   0.05407152  0.13663699  0.88775690
   0.07420340  0.55655050  0.07858493
   0.36882833  0.67839410  0.26625632
   0.07358942  0.82318195  0.04488023
   0.36572245  0.91935480  0.34742648
   0.40860613  0.88537455  0.15411797
   0.16329160  0.85785264  0.23291858
   0.30889535  0.64589453  0.45061531
   0.04234555  0.67345753  0.42037046
   0.15638314  0.54190110  0.58404644
   0.28857937  0.76052850  0.78740851
   0.15318122  0.80805861  0.56007336
   0.38804886  1.00188282  0.81090468
   0.44855612  0.88881699  0.65859570
   0.17107617  0.96394545  0.70135592
   0.28209085  0.68087329 -0.02149398
   0.03444815  0.64328157  0.90565903
   0.61543156  0.05794511  0.10398015
   0.82653105  0.21079899  0.26909218
   0.61181120  0.30761564  0.03287525
   0.95011770  0.44639989  0.35398855
   0.02276903  0.37338538  0.19532422
   0.76273176  0.44739668  0.17312556
   0.78693446  0.18567967  0.45442191
   0.51037043  0.14403461  0.41468999
   0.61646097  0.07968434  0.57592481
   0.80719531  0.21427801  0.79478431
   0.56347196  0.33903429  0.53662120
   0.86204389  0.46093012  0.84282749
   0.94686077  0.42790605  0.67223870
   0.69193044  0.41854476  0.69208699
   0.81346091  0.13614216  0.97736185
   0.57092355  0.08559777  0.91142545
   0.54196569  0.57791952  0.07947476
   0.81498849  0.68455935  0.31746427
   0.61909785  0.82871551  0.03469187
   0.84579423  0.95687222  0.35902764
   0.90674403  0.84260080  0.18634630
   0.64515634  0.87679974  0.23370573
   0.80697835  0.59774058  0.47825562
   0.54288196  0.55352063  0.39568814
   0.59894285  0.62058738  0.58145093
   0.80042212  0.72565979  0.81241940
   0.62794925  0.80398223  0.43773610
   0.89382162  0.96434981  0.85155107
   0.93146952  0.86897390  0.67003370
   0.69585814  0.94467553  0.73582205
   0.76362182  0.61167711  0.97583261
   0.51434264  0.66588645  0.89736471
   0.69762351  0.83716096  0.58883813
   0.68867931  0.86044194  0.47813174
   0.83620465  0.24342068  0.09806367
   0.98905544  0.43172180  0.29638187
   0.34501125  0.11950186  0.65191287
   0.23072475  0.71099034  0.74880258
  -0.02770742  1.12091356  0.13462963
   0.21729624  1.04857209  0.00786324
   0.63675140  0.38269503  0.87016547
   0.88231231  0.40129213  0.62897225
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.782689    0.333630   -0.034829
    -0.000000    9.863244    0.197777
    -0.000000    0.000000   14.216806
   Si   O    H 
    32    64    10
Direct configuration=  1211
   0.17159110  0.17495340 -0.03418251
   0.36477508  0.08522589  0.37197309
   0.12525024  0.40742990  0.10920986
   0.36555769  0.34038327  0.24391083
   0.10414553  0.15069328  0.48561848
   0.43097050  0.14652134  0.85488504
   0.10995500  0.40217310  0.62955976
   0.35106751  0.40267184  0.75830522
   0.12039182  0.67021961  0.00294725
   0.38821025  0.57800904  0.35872055
   0.05402214  0.90384458  0.15150180
   0.32464501  0.83301755  0.24332662
   0.16689248  0.67088754  0.49995786
   0.35446940  0.65767648  0.87280763
   0.07011328  0.91805764  0.62150761
   0.33060287  0.98915347  0.70685361
   0.65377636  0.14436580  1.00740657
   0.86194230  0.12477789  0.36542897
   0.60757718  0.42381420  0.11790685
   0.86157908  0.31841050  0.18357566
   0.62070163  0.19307867  0.48912173
   0.89385122  0.12606956  0.87700154
   0.56659728  0.45852186  0.61718063
   0.74751655  0.37330877  0.80232844
   0.60802088  0.67379163 -0.00095406
   0.90592661  0.60062712  0.39239125
   0.57305949  0.89911499  0.12990254
   0.79862923  0.84517852  0.27785235
   0.64506292  0.64220350  0.46834585
   0.87189087  0.61390694  0.88199075
   0.59920136  0.93085645  0.64040832
   0.83613772  0.87299488  0.76700254
   0.05827868  0.07496090  0.12459383
   0.34474643  0.17698673  0.27325289
   0.11580782  0.30184305  0.02507948
   0.31670394  0.43300465  0.33237547
   0.52012689  0.36064236  0.20359759
   0.26529202  0.38236251  0.16088013
   0.25803916  0.08682796  0.46031635
   0.02600439  0.16576528  0.37761895
   0.02133626  0.03829497  0.55080545
   0.46468119  0.27772973  0.79050256
   0.12210735  0.29642206  0.54265334
   0.33200237  0.50916788  0.84275061
   0.42233965  0.47892812  0.67296771
   0.20913560  0.34308779  0.71394573
   0.30708167  0.22359947 -0.08940017
   0.05255994  0.13599788  0.88665444
   0.07379268  0.55655676  0.07873696
   0.36734241  0.67813254  0.26558914
   0.07434979  0.82292454  0.04486102
   0.36420320  0.91965199  0.34799704
   0.40850770  0.88589774  0.15187827
   0.16312883  0.85757388  0.23350028
   0.30997961  0.64587168  0.45016569
   0.04243180  0.67363472  0.42055447
   0.15546312  0.54192760  0.58393052
   0.28791593  0.76256853  0.78837441
   0.15460806  0.80532657  0.55928469
   0.38952543  1.00224155  0.81095401
   0.44962286  0.88762355  0.65798833
   0.17086163  0.96471899  0.70128487
   0.28144707  0.67961824 -0.02155915
   0.03465506  0.64173315  0.90604581
   0.61606495  0.05813748  0.10370835
   0.82608527  0.21176995  0.26877471
   0.61149706  0.30915458  0.03314184
   0.94734188  0.44507143  0.35377746
   0.02341772  0.37343431  0.19454162
   0.76225660  0.44950914  0.17248952
   0.78653263  0.18650867  0.45507714
   0.51013325  0.14335259  0.41535303
   0.61647423  0.08029706  0.57543783
   0.80671641  0.21465403  0.79495496
   0.56362134  0.33998164  0.53600352
   0.86323997  0.45971020  0.84340174
   0.94952249  0.42626391  0.67207717
   0.69044372  0.41670876  0.69338471
   0.81318063  0.13441692  0.97696270
   0.57139818  0.08369479  0.91161502
   0.54158439  0.57639548  0.07985473
   0.81618282  0.68559237  0.31658011
   0.61826630  0.82797525  0.03458870
   0.84837696  0.95671017  0.35838294
   0.90729215  0.84219691  0.18702337
   0.64546370  0.87717147  0.23296507
   0.80593550  0.59656006  0.47746434
   0.54176398  0.55398525  0.39483657
   0.59835752  0.61993996  0.58042133
   0.79930141  0.72619665  0.81139107
   0.62881111  0.80476833  0.43849180
   0.89330998  0.96370389  0.85211848
   0.93307915  0.86921883  0.66936591
   0.69472397  0.94399639  0.73693724
   0.76734675  0.60992509  0.97641389
   0.51281057  0.66514323  0.89806230
   0.69014418  0.83198248  0.59348657
   0.68858585  0.86026507  0.47324784
   0.84213299  0.24449847  0.10067104
   0.99047004  0.43156592  0.29111137
   0.34477338  0.11588218  0.65275700
   0.23324141  0.70879537  0.75078291
  -0.03074673  1.12306557  0.12700259
   0.22101467  1.04008243  0.00402709
   0.63433450  0.38090390  0.86559121
   0.88254525  0.39221745  0.62133966
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.783593    0.336697   -0.036338
    -0.000000    9.862047    0.199498
    -0.000000    0.000000   14.217952
   Si   O    H 
    32    64    10
Direct configuration=  1212
   0.17280493  0.17467241 -0.03477556
   0.36514709  0.08443959  0.37157732
   0.12570255  0.40658466  0.10914635
   0.36555926  0.34096153  0.24274778
   0.10416261  0.15079697  0.48641793
   0.43211417  0.14670271  0.85456984
   0.11050327  0.40160942  0.62963919
   0.35255982  0.40277005  0.75823140
   0.12094058  0.66969197  0.00183643
   0.38848147  0.57869185  0.35829856
   0.05443170  0.90397512  0.15279609
   0.32588178  0.83360992  0.24337090
   0.16583489  0.67196913  0.50009662
   0.35486316  0.65798454  0.87214713
   0.07055777  0.91715845  0.62066400
   0.33020877  0.98896671  0.70625299
   0.65251914  0.14334220  1.00800260
   0.86283966  0.12477258  0.36572500
   0.60772575  0.42345979  0.11756285
   0.86132172  0.31777339  0.18520843
   0.62101829  0.19349894  0.48853914
   0.89336401  0.12627881  0.87660749
   0.56751665  0.45778680  0.61705728
   0.74730757  0.37408285  0.80241522
   0.60854560  0.67328962 -0.00041930
   0.90626764  0.60061950  0.39239235
   0.57408531  0.89940751  0.12936278
   0.79871399  0.84458755  0.27869105
   0.64431219  0.64179295  0.46809968
   0.87168338  0.61661060  0.88208461
   0.59939258  0.92990902  0.64091374
   0.83514835  0.87285109  0.76706295
   0.05910702  0.07492822  0.12362400
   0.34502493  0.17812222  0.27423098
   0.11643092  0.30071003  0.02557544
   0.31841526  0.43446556  0.33234470
   0.52024262  0.35897366  0.20418393
   0.26458128  0.38271855  0.16134205
   0.25868816  0.08599765  0.45870695
   0.02597163  0.16633139  0.37917749
   0.02141093  0.03757341  0.54966611
   0.46597737  0.27868309  0.78975656
   0.11993482  0.29563855  0.54259659
   0.33370805  0.50826307  0.84325503
   0.42372716  0.48103252  0.67292374
   0.20792906  0.34290328  0.71445523
   0.30570150  0.22248317 -0.08850658
   0.05201532  0.13518102  0.88571528
   0.07426375  0.55699518  0.07879070
   0.36633985  0.67786214  0.26527328
   0.07621186  0.82199900  0.04538700
   0.36320898  0.91919464  0.34788007
   0.40848632  0.88585841  0.15007940
   0.16263285  0.85689166  0.23414967
   0.31015832  0.64546748  0.44945959
   0.04259921  0.67350381  0.42014268
   0.15411884  0.54337449  0.58325088
   0.28792859  0.76407332  0.78967858
   0.15569398  0.80257106  0.55890660
   0.39089354  1.00291373  0.81068714
   0.45013391  0.88677087  0.65753940
   0.17040296  0.96481900  0.70147089
   0.28139918  0.67795399 -0.02218285
   0.03477202  0.64052954  0.90608429
   0.61679368  0.05763681  0.10362874
   0.82564998  0.21315812  0.26841282
   0.61006433  0.31031118  0.03298043
   0.94459052  0.44417479  0.35395974
   0.02308465  0.37196360  0.19385411
   0.76033378  0.45161696  0.17168679
   0.78500753  0.18836164  0.45611303
   0.51014572  0.14266810  0.41591034
   0.61612372  0.08058750  0.57571970
   0.80548477  0.21566297  0.79507302
   0.56385987  0.34109803  0.53538391
   0.86529325  0.46046885  0.84355511
   0.95196462  0.42353149  0.67147744
   0.68921744  0.41471668  0.69437458
   0.81282995  0.13194418  0.97634297
   0.57169808  0.08282544  0.91166657
   0.54106753  0.57478705  0.07980126
   0.81684912  0.68661744  0.31586734
   0.61737045  0.82707863  0.03428731
   0.85082349  0.95696800  0.35823727
   0.90683550  0.84238289  0.18833932
   0.64551439  0.87710528  0.23281641
   0.80454317  0.59457854  0.47619683
   0.54146893  0.55416019  0.39442731
   0.59710935  0.61909854  0.57979804
   0.79901537  0.72620866  0.81020348
   0.62838741  0.80506642  0.43893081
   0.89266716  0.96262956  0.85281508
   0.93291145  0.86940020  0.66867228
   0.69279797  0.94351157  0.73736662
   0.77107875  0.60918049  0.97673585
   0.51142212  0.66435459  0.89912244
   0.68031466  0.82614994  0.59704792
   0.69026011  0.86143889  0.47149994
   0.84880289  0.24129342  0.10223638
   0.99177709  0.43134602  0.28730285
   0.34405695  0.11505116  0.65504964
   0.23153875  0.70176034  0.74751715
  -0.03286160  1.12590877  0.12170883
   0.22417337  1.03190943  0.00113965
   0.63045642  0.37809060  0.86299994
   0.88596209  0.38548414  0.61992044
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.784891    0.339608   -0.037703
    -0.000000    9.860894    0.200906
    -0.000000    0.000000   14.219136
   Si   O    H 
    32    64    10
Direct configuration=  1213
   0.17390272  0.17391015 -0.03534351
   0.36580859  0.08348020  0.37093748
   0.12563911  0.40581341  0.10894706
   0.36645499  0.34179289  0.24218232
   0.10424732  0.15063465  0.48736789
   0.43351859  0.14708027  0.85429416
   0.11124170  0.40143144  0.62973317
   0.35454255  0.40299995  0.75811996
   0.12193808  0.66951877  0.00095277
   0.38890570  0.57920680  0.35814522
   0.05440834  0.90369463  0.15415284
   0.32621213  0.83432295  0.24349572
   0.16505099  0.67247056  0.50053383
   0.35549596  0.65832438  0.87190269
   0.07102630  0.91526565  0.62003082
   0.33027938  0.98880793  0.70556167
   0.65102498  0.14307078  1.00845872
   0.86392494  0.12512544  0.36599618
   0.60823475  0.42300895  0.11720803
   0.86128012  0.31677930  0.18676740
   0.62074650  0.19367445  0.48782124
   0.89307844  0.12622212  0.87590132
   0.56871325  0.45688533  0.61730219
   0.74687973  0.37416017  0.80232060
   0.60890530  0.67286246 -0.00031631
   0.90651567  0.60069860  0.39200459
   0.57433870  0.89955880  0.12881615
   0.79855834  0.84375722  0.27920685
   0.64377180  0.64131841  0.46800382
   0.87096654  0.61895606  0.88236004
   0.60005588  0.92955501  0.64134843
   0.83357572  0.87348732  0.76725726
   0.05992682  0.07495993  0.12284469
   0.34515734  0.18028509  0.27479088
   0.11678045  0.29950383  0.02553839
   0.32074176  0.43647055  0.33218890
   0.52182576  0.35651306  0.20466088
   0.26404943  0.38262167  0.16192550
   0.25874544  0.08581699  0.45763659
   0.02512842  0.16668041  0.38086365
   0.02087919  0.03723221  0.54805116
   0.46710202  0.27924547  0.78867151
   0.11889552  0.29445774  0.54205998
   0.33502718  0.50702333  0.84437937
   0.42457206  0.48256191  0.67274216
   0.20780076  0.34242563  0.71558409
   0.30482157  0.22205367 -0.08759727
   0.05279901  0.13543442  0.88540005
   0.07461726  0.55718124  0.07919625
   0.36591372  0.67796363  0.26499766
   0.07777368  0.82130672  0.04664822
   0.36175997  0.91949248  0.34741063
   0.40779641  0.88589062  0.14813958
   0.16165464  0.85608392  0.23529842
   0.31013353  0.64478637  0.44856255
   0.04360530  0.67299446  0.41996444
   0.15319244  0.54475789  0.58242992
   0.28742887  0.76479091  0.79068547
   0.15555571  0.80057440  0.55933703
   0.39242440  1.00362532  0.81032992
   0.45031170  0.88643706  0.65741405
   0.17052717  0.96437853  0.70164584
   0.28079672  0.67520041 -0.02286816
   0.03502290  0.63924942  0.90656984
   0.61708618  0.05707235  0.10337133
   0.82494593  0.21368354  0.26844939
   0.60920865  0.31157933  0.03281828
   0.94277574  0.44428008  0.35425263
   0.02198112  0.37019339  0.19311657
   0.75920108  0.45321803  0.17096456
   0.78260151  0.18999753  0.45681853
   0.50918673  0.14129791  0.41637209
   0.61630376  0.08061010  0.57604334
   0.80469339  0.21706883  0.79568560
   0.56416995  0.34217146  0.53468087
   0.86874081  0.46173785  0.84386691
   0.95430981  0.42002028  0.66985234
   0.68767963  0.41276000  0.69505223
   0.81187861  0.13017858  0.97589398
   0.57207690  0.08206511  0.91175816
   0.54056548  0.57362956  0.07912423
   0.81775725  0.68821118  0.31527118
   0.61689488  0.82583283  0.03359020
   0.85304518  0.95796467  0.35790637
   0.90623303  0.84329688  0.18988614
   0.64576909  0.87682414  0.23313556
   0.80353893  0.59296147  0.47570234
   0.54247511  0.55532824  0.39469644
   0.59525985  0.61785237  0.57915882
   0.79810257  0.72615488  0.80939430
   0.62801852  0.80481741  0.43830506
   0.89208615  0.96168400  0.85344320
   0.93229829  0.86933612  0.66911956
   0.69070445  0.94235635  0.73800704
   0.77442783  0.60944526  0.97727244
   0.51002127  0.66342407  0.90051946
   0.67406751  0.82075015  0.59778153
   0.69716103  0.86302938  0.47245215
   0.85571242  0.23744935  0.10215335
   0.98897975  0.43349260  0.29011894
   0.34223264  0.11657187  0.65742011
   0.23598091  0.70360505  0.75052241
  -0.03121088  1.12490515  0.11586339
   0.22970074  1.02668994 -0.00073524
   0.62672503  0.37616495  0.86229806
   0.89622565  0.38623927  0.62272962
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.786298    0.342328   -0.039199
    -0.000000    9.860007    0.202555
    -0.000000    0.000000   14.220227
   Si   O    H 
    32    64    10
Direct configuration=  1214
   0.17445115  0.17273717 -0.03585112
   0.36664125  0.08275910  0.37029533
   0.12535646  0.40556450  0.10858351
   0.36723962  0.34214256  0.24173109
   0.10452366  0.15086970  0.48787419
   0.43487952  0.14701538  0.85436364
   0.11166944  0.40144919  0.62974831
   0.35692234  0.40335480  0.75819444
   0.12280265  0.66939392  0.00050039
   0.38911563  0.57939484  0.35889975
   0.05501882  0.90329967  0.15508501
   0.32600137  0.83560484  0.24410654
   0.16448944  0.67223046  0.50086680
   0.35614986  0.65863806  0.87151229
   0.07085700  0.91428715  0.61926567
   0.33114345  0.98825966  0.70501140
   0.64980468  0.14313900  1.00892456
   0.86486039  0.12572491  0.36614366
   0.60869881  0.42308376  0.11688725
   0.86201796  0.31624537  0.18775983
   0.62065354  0.19383372  0.48738357
   0.89308150  0.12601519  0.87560893
   0.57011894  0.45585446  0.61764830
   0.74654452  0.37451706  0.80233291
   0.60907106  0.67219408 -0.00032579
   0.90744677  0.60029813  0.39116457
   0.57472527  0.90029757  0.12816137
   0.79831449  0.84283930  0.27982665
   0.64345888  0.64034488  0.46781412
   0.87070248  0.62062855  0.88247654
   0.60122374  0.92895311  0.64152190
   0.83222120  0.87353933  0.76702433
   0.06073415  0.07373285  0.12336560
   0.34593079  0.18291183  0.27545776
   0.11639840  0.29872432  0.02541714
   0.32281334  0.43835772  0.33198350
   0.52248729  0.35546929  0.20478723
   0.26354355  0.38369004  0.16197299
   0.25815853  0.08568294  0.45669898
   0.02491999  0.16675558  0.38260783
   0.01989443  0.03714746  0.54618827
   0.46738189  0.27923049  0.78735670
   0.11783655  0.29277639  0.54120632
   0.33494099  0.50576213  0.84533684
   0.42547433  0.48385378  0.67234280
   0.20858783  0.34217688  0.71694105
   0.30516107  0.22209372 -0.08713693
   0.05446312  0.13648010  0.88507980
   0.07534123  0.55717683  0.07998581
   0.36543032  0.67836623  0.26484027
   0.07954886  0.82089758  0.04855662
   0.36052391  0.92038088  0.34640413
   0.40785024  0.88576478  0.14659576
   0.16163838  0.85529158  0.23607749
   0.30989966  0.64422123  0.44757856
   0.04520941  0.67293967  0.41982186
   0.15252841  0.54650382  0.58136084
   0.28696620  0.76534620  0.79120272
   0.15519774  0.79962908  0.55974362
   0.39332119  1.00439656  0.81013890
   0.45023396  0.88632545  0.65733102
   0.17040179  0.96432872  0.70168356
   0.27985208  0.67272743 -0.02402538
   0.03479041  0.63858927  0.90679653
   0.61764027  0.05612047  0.10301460
   0.82470934  0.21404493  0.26838836
   0.60886865  0.31250125  0.03250426
   0.94188676  0.44370463  0.35467084
   0.02044493  0.36824257  0.19183256
   0.75828190  0.45476651  0.17042013
   0.77996116  0.19265977  0.45705742
   0.50915771  0.13922632  0.41670005
   0.61638015  0.08034927  0.57645964
   0.80441584  0.21825846  0.79657335
   0.56452602  0.34402921  0.53395552
   0.87206078  0.46374805  0.84467502
   0.95656610  0.41748920  0.66819951
   0.68627757  0.41115230  0.69594241
   0.81097537  0.12856269  0.97487815
   0.57145235  0.08233879  0.91135182
   0.54007464  0.57208147  0.07858148
   0.81853310  0.68884413  0.31407297
   0.61727557  0.82526440  0.03286545
   0.85502161  0.95882204  0.35757339
   0.90644130  0.84401819  0.19152947
   0.64633825  0.87552264  0.23392783
   0.80260552  0.59190918  0.47583113
   0.54425162  0.55644419  0.39455686
   0.59377477  0.61597555  0.57822628
   0.79729836  0.72623208  0.80837409
   0.62675118  0.80427220  0.43762888
   0.89058531  0.96095930  0.85386396
   0.93101751  0.86876792  0.66988127
   0.68776740  0.94125034  0.73784644
   0.77677650  0.61093714  0.97773667
   0.50977586  0.66243028  0.90211446
   0.67122974  0.81635259  0.59734636
   0.70187560  0.86113297  0.46890017
   0.86103458  0.23256196  0.10187138
   0.98627412  0.43735169  0.29629376
   0.34034922  0.12470738  0.65604157
   0.24247340  0.70577153  0.75226332
  -0.02870653  1.12232504  0.11314193
   0.23033448  1.03076273 -0.00282670
   0.62496783  0.37706128  0.86343286
   0.90398018  0.38928347  0.62556666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.787986    0.344508   -0.040237
    -0.000000    9.859029    0.203941
    -0.000000    0.000000   14.220946
   Si   O    H 
    32    64    10
Direct configuration=  1215
   0.17472416  0.17082396 -0.03612827
   0.36696842  0.08225715  0.36948239
   0.12498165  0.40513618  0.10794492
   0.36789872  0.34173578  0.24125033
   0.10504138  0.15118343  0.48847613
   0.43547266  0.14727487  0.85477390
   0.11251263  0.40109407  0.63006380
   0.35917436  0.40351107  0.75824786
   0.12258574  0.66948586  0.00065751
   0.38947816  0.57944402  0.35955215
   0.05558084  0.90227819  0.15529913
   0.32586171  0.83748153  0.24501718
   0.16439678  0.67224202  0.50059347
   0.35647972  0.65929017  0.87163320
   0.07104622  0.91309888  0.61825839
   0.33229461  0.98789629  0.70483346
   0.64870782  0.14349310  1.00879637
   0.86548396  0.12692251  0.36649453
   0.60916760  0.42342297  0.11677739
   0.86220984  0.31581106  0.18826031
   0.62127663  0.19329373  0.48694900
   0.89326067  0.12547239  0.87537735
   0.57124377  0.45492082  0.61827019
   0.74657764  0.37504992  0.80226716
   0.60936249  0.67179494 -0.00058574
   0.90888401  0.59957875  0.39030886
   0.57485419  0.90056910  0.12762109
   0.79804226  0.84211071  0.28034983
   0.64225125  0.63882044  0.46801823
   0.87019946  0.62152193  0.88260018
   0.60263829  0.92956643  0.64169164
   0.83137023  0.87333193  0.76660429
   0.06120635  0.07218523  0.12419474
   0.34716183  0.18583229  0.27562654
   0.11536539  0.29732652  0.02525134
   0.32389615  0.43949636  0.33176998
   0.52387568  0.35508733  0.20481782
   0.26330723  0.38507540  0.16204210
   0.25625912  0.08570263  0.45563884
   0.02502945  0.16692602  0.38443333
   0.01961386  0.03692936  0.54431391
   0.46689090  0.27885252  0.78618318
   0.11678490  0.29078250  0.54055769
   0.33466551  0.50408600  0.84607581
   0.42538496  0.48511660  0.67177486
   0.20899604  0.34274224  0.71824400
   0.30568559  0.22199275 -0.08718061
   0.05537367  0.13816315  0.88510621
   0.07599265  0.55690800  0.08060976
   0.36464924  0.67837471  0.26459592
   0.08128025  0.82052587  0.05031624
   0.35943899  0.92135662  0.34522676
   0.40747670  0.88556200  0.14521197
   0.16193713  0.85368158  0.23617701
   0.30934194  0.64375505  0.44708765
   0.04665856  0.67223306  0.41984806
   0.15251915  0.54771321  0.58037658
   0.28715536  0.76619051  0.79201367
   0.15433525  0.79983868  0.56007745
   0.39403436  1.00531060  0.80985550
   0.44859610  0.88717198  0.65748408
   0.17016519  0.96444634  0.70196761
   0.27952101  0.67028956 -0.02527211
   0.03429782  0.63845384  0.90684970
   0.61795189  0.05517599  0.10209042
   0.82406081  0.21321670  0.26900616
   0.60866569  0.31322495  0.03185682
   0.94143306  0.44308750  0.35481042
   0.01890815  0.36685412  0.19082967
   0.75767261  0.45626772  0.16980601
   0.77776706  0.19454033  0.45687356
   0.50874413  0.13640202  0.41656189
   0.61622842  0.07971143  0.57674446
   0.80442384  0.21969022  0.79708473
   0.56524393  0.34563678  0.53291594
   0.87466579  0.46585729  0.84526742
   0.95971791  0.41485764  0.66742247
   0.68474752  0.41007260  0.69627395
   0.80984821  0.12703870  0.97402268
   0.57077796  0.08350061  0.91192553
   0.54051938  0.57011875  0.07793459
   0.81935189  0.68896763  0.31289573
   0.61805570  0.82437546  0.03229845
   0.85722371  0.95984063  0.35755698
   0.90643454  0.84465272  0.19272305
   0.64750676  0.87434261  0.23455132
   0.80143587  0.58989518  0.47605805
   0.54606362  0.55855610  0.39394345
   0.59278325  0.61255293  0.57711620
   0.79642495  0.72628659  0.80757937
   0.62638284  0.80415891  0.43698074
   0.88845838  0.95981149  0.85391524
   0.92904622  0.86796592  0.67086031
   0.68365746  0.94059551  0.73767151
   0.77842724  0.61270060  0.97851818
   0.51100756  0.66180644  0.90400073
   0.67117683  0.81421091  0.59364771
   0.69777185  0.85467673  0.46094659
   0.86232460  0.22973259  0.10302755
   0.98860271  0.43887328  0.29973230
   0.33757874  0.13095786  0.65754479
   0.24252558  0.70254039  0.74865880
  -0.02881106  1.11686778  0.11097510
   0.23087456  1.03896787 -0.00510215
   0.62788043  0.37526596  0.86506990
   0.88839945  0.38608764  0.61404962
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789525    0.346196   -0.040811
    -0.000000    9.857917    0.205404
    -0.000000    0.000000   14.221179
   Si   O    H 
    32    64    10
Direct configuration=  1216
   0.17476805  0.16909194 -0.03636856
   0.36755828  0.08194489  0.36855948
   0.12505933  0.40522209  0.10733694
   0.36919665  0.34092634  0.24128740
   0.10610313  0.15109390  0.48874072
   0.43598307  0.14720599  0.85552144
   0.11428761  0.40069044  0.62991251
   0.36093010  0.40322759  0.75837272
   0.12203858  0.66996763  0.00113728
   0.38969105  0.58035325  0.35994429
   0.05620757  0.90159842  0.15528528
   0.32541078  0.83880162  0.24577853
   0.16458695  0.67169634  0.49994652
   0.35639302  0.66021813  0.87200248
   0.07074371  0.91166915  0.61759555
   0.33332534  0.98765089  0.70460877
   0.64763137  0.14409609  1.00830908
   0.86538291  0.12817618  0.36694701
   0.60937104  0.42359494  0.11708597
   0.86259351  0.31563888  0.18827395
   0.62182993  0.19285192  0.48706827
   0.89358998  0.12486145  0.87500659
   0.57237772  0.45469239  0.61899407
   0.74617782  0.37558188  0.80233616
   0.60983361  0.67091914 -0.00138645
   0.90988025  0.59899655  0.38949499
   0.57479536  0.90100864  0.12708300
   0.79809759  0.84118060  0.28054436
   0.64111199  0.63834628  0.46783810
   0.86994414  0.62226546  0.88271856
   0.60429359  0.93009728  0.64152328
   0.83080036  0.87329533  0.76641865
   0.06191627  0.06976415  0.12561559
   0.34786605  0.18725321  0.27536734
   0.11467344  0.29653718  0.02493722
   0.32496295  0.44034368  0.33151255
   0.52568448  0.35486239  0.20473100
   0.26314288  0.38747503  0.16191359
   0.25514837  0.08658489  0.45458502
   0.02520030  0.16689397  0.38637281
   0.01934815  0.03692628  0.54259061
   0.46688697  0.27760919  0.78470804
   0.11591036  0.28856024  0.53979153
   0.33401915  0.50314807  0.84716992
   0.42529020  0.48678108  0.67154191
   0.20925009  0.34381721  0.71912603
   0.30757508  0.22180824 -0.08748119
   0.05616131  0.13996097  0.88523833
   0.07660718  0.55699882  0.08102322
   0.36344797  0.67798109  0.26436450
   0.08324595  0.82005800  0.05284007
   0.35842303  0.92237054  0.34326870
   0.40706169  0.88486625  0.14466147
   0.16165604  0.85204550  0.23596892
   0.30866262  0.64280615  0.44710977
   0.04748389  0.67157640  0.41961282
   0.15255303  0.54823521  0.57960223
   0.28764101  0.76641608  0.79274058
   0.15351341  0.80047195  0.56085732
   0.39420851  1.00665353  0.80980404
   0.44674100  0.88842326  0.65737549
   0.16967322  0.96503668  0.70201721
   0.27966893  0.66808812 -0.02548081
   0.03263734  0.63865506  0.90686074
   0.61797157  0.05398835  0.10148194
   0.82343236  0.21218382  0.27004708
   0.60933009  0.31355291  0.03104151
   0.94036459  0.44302664  0.35551989
   0.01752075  0.36464407  0.18999368
   0.75730417  0.45648108  0.16893518
   0.77616726  0.19491525  0.45618188
   0.50795772  0.13445169  0.41643479
   0.61580663  0.07854944  0.57676239
   0.80559590  0.22056414  0.79769048
   0.56472840  0.34707134  0.53161846
   0.87775075  0.46822311  0.84554867
   0.96123159  0.41168479  0.66680618
   0.68274619  0.40850912  0.69687661
   0.80863762  0.12611253  0.97310592
   0.57020617  0.08519374  0.91314352
   0.54212099  0.56752853  0.07727515
   0.82004685  0.68884670  0.31148790
   0.61875809  0.82407271  0.03137563
   0.85930115  0.96032869  0.35654423
   0.90711908  0.84542590  0.19368937
   0.64867552  0.87309223  0.23470532
   0.80077751  0.58765020  0.47646086
   0.54766066  0.56119675  0.39309139
   0.59142273  0.60976821  0.57612817
   0.79656280  0.72605472  0.80702443
   0.62601752  0.80398935  0.43624420
   0.88625636  0.95889874  0.85363334
   0.92634298  0.86689623  0.67176048
   0.68028059  0.93990979  0.73722663
   0.77961248  0.61508397  0.97897809
   0.51290948  0.66155708  0.90620666
   0.66965816  0.81553642  0.59039940
   0.69977718  0.85408819  0.45595059
   0.86247554  0.23133032  0.10328600
   1.00227207  0.43756425  0.29750627
   0.33858342  0.13290463  0.66119447
   0.24100193  0.70367014  0.74878301
  -0.02821712  1.11566452  0.10712313
   0.22895693  1.04438045 -0.00283962
   0.63049584  0.37400439  0.86694295
   0.88413437  0.38813073  0.60859969
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790962    0.348588   -0.041090
    -0.000000    9.856633    0.206481
    -0.000000    0.000000   14.221343
   Si   O    H 
    32    64    10
Direct configuration=  1217
   0.17505596  0.16759352 -0.03641757
   0.36765595  0.08175546  0.36798511
   0.12527975  0.40510174  0.10701108
   0.37047470  0.34008581  0.24111898
   0.10751118  0.15097345  0.48865181
   0.43621994  0.14712699  0.85583817
   0.11595688  0.40019911  0.62939955
   0.36230858  0.40224442  0.75820110
   0.12101417  0.67017200  0.00197867
   0.39016203  0.58101375  0.36028665
   0.05620237  0.90051132  0.15489464
   0.32537031  0.84051252  0.24635676
   0.16461343  0.67098201  0.49898035
   0.35612162  0.66084301  0.87261742
   0.07009616  0.91084445  0.61750605
   0.33450381  0.98782602  0.70447298
   0.64652629  0.14493817  1.00796854
   0.86533192  0.12987077  0.36738205
   0.60909069  0.42375558  0.11732199
   0.86304956  0.31525408  0.18808811
   0.62219127  0.19227527  0.48766419
   0.89363248  0.12399267  0.87455658
   0.57319969  0.45446049  0.61979107
   0.74562739  0.37632698  0.80230588
   0.61024461  0.66978015 -0.00247549
   0.90990303  0.59886473  0.38869547
   0.57421502  0.90090559  0.12703435
   0.79832460  0.84076615  0.28061017
   0.63973346  0.63806100  0.46790516
   0.86964231  0.62285865  0.88308874
   0.60581682  0.93086781  0.64113825
   0.83002612  0.87328537  0.76636744
   0.06285102  0.06704981  0.12697012
   0.34895838  0.18824761  0.27532599
   0.11425101  0.29496807  0.02372131
   0.32580035  0.44088669  0.33156008
   0.52692567  0.35494161  0.20456277
   0.26279246  0.38941116  0.16197819
   0.25372734  0.08737257  0.45395876
   0.02507576  0.16743984  0.38737751
   0.01893486  0.03727588  0.54060446
   0.46696201  0.27608008  0.78326205
   0.11461246  0.28791271  0.53908156
   0.33312807  0.50246260  0.84848803
   0.42495759  0.48783962  0.67139057
   0.20998489  0.34469974  0.71974201
   0.31035938  0.22198991 -0.08763917
   0.05740828  0.14213865  0.88564888
   0.07723506  0.55770359  0.08114087
   0.36322864  0.67797391  0.26429847
   0.08521619  0.81892498  0.05506839
   0.35771560  0.92383978  0.34089041
   0.40765088  0.88416727  0.14424022
   0.16167332  0.84951630  0.23540286
   0.30746330  0.64274024  0.44733378
   0.04839164  0.67102775  0.41904872
   0.15271369  0.54897203  0.57890806
   0.28807848  0.76644825  0.79312702
   0.15232684  0.80143924  0.56171863
   0.39439008  1.00776871  0.80956221
   0.44555986  0.88937722  0.65707918
   0.16920291  0.96522977  0.70178454
   0.28018136  0.66667896 -0.02564275
   0.03069783  0.63807650  0.90682034
   0.61859895  0.05303770  0.10046909
   0.82282051  0.21093673  0.27121851
   0.61114451  0.31290484  0.03031294
   0.93962322  0.44335050  0.35539143
   0.01624858  0.36330262  0.18881395
   0.75663468  0.45570766  0.16838058
   0.77512828  0.19512522  0.45570517
   0.50766303  0.13254242  0.41614796
   0.61591134  0.07734002  0.57637770
   0.80765431  0.22125780  0.79870345
   0.56485312  0.34804290  0.53038868
   0.87939799  0.47002968  0.84578898
   0.96109124  0.40880060  0.66590620
   0.68191018  0.40752831  0.69767686
   0.80772070  0.12504473  0.97260620
   0.57024286  0.08744500  0.91463854
   0.54282359  0.56571539  0.07675581
   0.82068430  0.68802530  0.31061297
   0.61944813  0.82351772  0.03029058
   0.86083169  0.96135330  0.35596680
   0.90795020  0.84622804  0.19425097
   0.64901074  0.87207474  0.23474887
   0.80037407  0.58592557  0.47700893
   0.54897299  0.56420336  0.39239881
   0.59017363  0.60669652  0.57517536
   0.79666077  0.72528792  0.80690624
   0.62507805  0.80257684  0.43517432
   0.88451748  0.95815460  0.85320874
   0.92456054  0.86645578  0.67273715
   0.67721662  0.93944697  0.73717305
   0.77947415  0.61781255  0.97982836
   0.51547381  0.66156307  0.90829889
   0.66862422  0.82321390  0.58739318
   0.70365904  0.85765395  0.45508875
   0.86017056  0.23475774  0.10412742
   1.01416034  0.43457593  0.30052161
   0.34179441  0.12719196  0.66563855
   0.23893061  0.70890703  0.74875390
  -0.02503643  1.11597031  0.10762195
   0.22840805  1.04219091  0.00174801
   0.63719304  0.37419889  0.86692892
   0.89241102  0.39324760  0.61237466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.792423    0.351076   -0.041135
    -0.000000    9.855524    0.207728
    -0.000000    0.000000   14.221074
   Si   O    H 
    32    64    10
Direct configuration=  1218
   0.17510797  0.16632512 -0.03671395
   0.36744757  0.08212612  0.36729295
   0.12546020  0.40485722  0.10664989
   0.37094949  0.33976849  0.24091524
   0.10890344  0.15094269  0.48796690
   0.43621092  0.14714137  0.85588958
   0.11721214  0.39917179  0.62874741
   0.36280696  0.40156682  0.75779412
   0.12012558  0.67120624  0.00265509
   0.39076433  0.58166264  0.36080361
   0.05616303  0.89975742  0.15424674
   0.32505543  0.84185234  0.24686068
   0.16500419  0.67011055  0.49795172
   0.35570083  0.66127180  0.87276258
   0.06932280  0.91044572  0.61739017
   0.33499665  0.98853751  0.70453147
   0.64541443  0.14622964  1.00764852
   0.86525798  0.13197877  0.36765667
   0.60864758  0.42396307  0.11754699
   0.86300354  0.31509515  0.18796279
   0.62190022  0.19146946  0.48858108
   0.89330752  0.12332902  0.87444154
   0.57344065  0.45468285  0.62063915
   0.74572029  0.37693856  0.80198115
   0.61063413  0.66834306 -0.00312881
   0.90931948  0.59922362  0.38767079
   0.57399048  0.90078284  0.12707956
   0.79847388  0.84098521  0.28082729
   0.63871637  0.63815930  0.46808773
   0.86925202  0.62363349  0.88370849
   0.60659194  0.93196243  0.64005898
   0.82933740  0.87319454  0.76643720
   0.06296005  0.06474807  0.12849286
   0.34943518  0.18878025  0.27509514
   0.11427696  0.29398401  0.02285025
   0.32657868  0.44243713  0.33101289
   0.52918549  0.35474931  0.20408566
   0.26325741  0.39090515  0.16182328
   0.25289019  0.08816701  0.45369198
   0.02455294  0.16797379  0.38836646
   0.01870324  0.03755834  0.53838530
   0.46711994  0.27416647  0.78183267
   0.11323938  0.28802681  0.53907361
   0.33204523  0.50187003  0.84937648
   0.42504034  0.48910955  0.67118075
   0.21068193  0.34571702  0.72019197
   0.31271985  0.22190799 -0.08822486
   0.05825577  0.14372027  0.88624871
   0.07829731  0.55890681  0.08129578
   0.36324360  0.67846746  0.26405945
   0.08766714  0.81745557  0.05715876
   0.35740543  0.92555747  0.33984339
   0.40843387  0.88377411  0.14400434
   0.16184486  0.84805347  0.23477859
   0.30602978  0.64335114  0.44754800
   0.04880551  0.67044685  0.41882089
   0.15280865  0.54857794  0.57849142
   0.28795311  0.76676628  0.79343150
   0.15246613  0.80239772  0.56333470
   0.39382801  1.00887961  0.80929920
   0.44496320  0.89000510  0.65694399
   0.16872655  0.96564261  0.70145060
   0.27966128  0.66609492 -0.02549661
   0.02875912  0.63749416  0.90719984
   0.61917183  0.05293018  0.09922065
   0.82271451  0.20978591  0.27236462
   0.61301268  0.31181906  0.03027931
   0.94050240  0.44328011  0.35504350
   0.01565928  0.36309774  0.18812448
   0.75594309  0.45487543  0.16695929
   0.77520886  0.19517414  0.45484934
   0.50733809  0.13050512  0.41633516
   0.61511699  0.07717836  0.57623110
   0.81001424  0.22161474  0.79950535
   0.56474068  0.34874722  0.52986673
   0.88042072  0.47098349  0.84605067
   0.96136777  0.40570624  0.66419981
   0.68141412  0.40656072  0.69842665
   0.80635724  0.12482917  0.97281641
   0.57008307  0.09014365  0.91583104
   0.54417210  0.56444359  0.07609359
   0.82068921  0.68690115  0.31009219
   0.62068742  0.82236081  0.02962645
   0.86144070  0.96106737  0.35534142
   0.90860707  0.84732823  0.19484086
   0.64910057  0.87176393  0.23470493
   0.80053278  0.58386455  0.47759355
   0.55015379  0.56635819  0.39089845
   0.58910678  0.60405758  0.57358519
   0.79650907  0.72398462  0.80681546
   0.62448289  0.80051734  0.43506502
   0.88356107  0.95737290  0.85223194
   0.92304945  0.86630870  0.67318929
   0.67473804  0.93929745  0.73729399
   0.77855110  0.62028660  0.98124490
   0.51815598  0.66101168  0.90964813
   0.66711412  0.83148780  0.58585204
   0.70372213  0.85882267  0.45627565
   0.85464634  0.23752473  0.10516311
   1.01725385  0.43210136  0.30968240
   0.34403932  0.11936772  0.66773892
   0.23765132  0.71424971  0.74959311
  -0.01754726  1.11380047  0.10898815
   0.22619777  1.03936302  0.00731918
   0.64198390  0.37848195  0.87053756
   0.90494978  0.40026985  0.62190133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.793582    0.353670   -0.040786
    -0.000000    9.854311    0.208765
    -0.000000    0.000000   14.220707
   Si   O    H 
    32    64    10
Direct configuration=  1219
   0.17445935  0.16529957 -0.03706278
   0.36676636  0.08190994  0.36717218
   0.12541786  0.40400271  0.10610059
   0.37154831  0.33974134  0.24107683
   0.11032457  0.15083058  0.48678916
   0.43579990  0.14762360  0.85619900
   0.11886232  0.39902603  0.62799100
   0.36309107  0.40103179  0.75750176
   0.11991582  0.67240100  0.00332137
   0.39097819  0.58262912  0.36113476
   0.05616718  0.89901649  0.15367636
   0.32497962  0.84350883  0.24718790
   0.16550251  0.66951544  0.49708117
   0.35533811  0.66164621  0.87271878
   0.06830871  0.91091200  0.61747620
   0.33543899  0.98980041  0.70484172
   0.64493755  0.14723570  1.00726993
   0.86491742  0.13323160  0.36767525
   0.60880491  0.42447860  0.11775653
   0.86279866  0.31527641  0.18766333
   0.62093361  0.19064416  0.48935741
   0.89320524  0.12295213  0.87419057
   0.57289991  0.45481549  0.62087236
   0.74632396  0.37798442  0.80104328
   0.61151252  0.66606860 -0.00333826
   0.90846369  0.59885396  0.38675365
   0.57392949  0.90135572  0.12720886
   0.79892754  0.84196363  0.28104282
   0.63723461  0.63788944  0.46829808
   0.86851765  0.62412831  0.88459764
   0.60692356  0.93275911  0.63877061
   0.82925571  0.87337902  0.76617708
   0.06282968  0.06260453  0.13078363
   0.34950340  0.18854325  0.27549935
   0.11487755  0.29340380  0.02175901
   0.32763443  0.44268507  0.33054618
   0.53021296  0.35474792  0.20345720
   0.26433041  0.39202162  0.16154116
   0.25298812  0.08906873  0.45378135
   0.02414644  0.16816921  0.38906289
   0.01829010  0.03806643  0.53699730
   0.46703022  0.27193051  0.78017942
   0.11240196  0.28889978  0.53921083
   0.33101955  0.50151988  0.84988746
   0.42517919  0.49057274  0.67125819
   0.21159674  0.34643656  0.72055103
   0.31441994  0.22175905 -0.08805126
   0.05798879  0.14518620  0.88664947
   0.07979352  0.55970455  0.08174025
   0.36354468  0.67862165  0.26416308
   0.09008167  0.81645117  0.05908133
   0.35809806  0.92741296  0.33870571
   0.40883042  0.88441678  0.14403617
   0.16210378  0.84663767  0.23425381
   0.30462001  0.64412810  0.44743545
   0.04863343  0.67002760  0.41852489
   0.15296064  0.54829310  0.57755887
   0.28754945  0.76675448  0.79417279
   0.15271139  0.80301398  0.56458286
   0.39278329  1.01084930  0.80951608
   0.44474226  0.89036161  0.65637927
   0.16768972  0.96578845  0.70059068
   0.27896762  0.66547934 -0.02482270
   0.02698572  0.63767434  0.90790428
   0.61963053  0.05283879  0.09795348
   0.82171398  0.20972678  0.27318956
   0.61403902  0.31091606  0.03080797
   0.94254174  0.44359125  0.35398401
   0.01572523  0.36339525  0.18774959
   0.75610928  0.45354772  0.16522938
   0.77524835  0.19482007  0.45381440
   0.50771245  0.12976185  0.41653677
   0.61425988  0.07707151  0.57620313
   0.81214912  0.22202023  0.80023757
   0.56539478  0.34839842  0.52961575
   0.88057042  0.47082772  0.84637293
   0.96314107  0.40263861  0.66347342
   0.68189582  0.40612835  0.69964380
   0.80478456  0.12417733  0.97261695
   0.57017651  0.09284995  0.91683463
   0.54638693  0.56337446  0.07543299
   0.82134028  0.68615110  0.30950132
   0.62152755  0.82205495  0.02990341
   0.86072152  0.96053753  0.35535590
   0.90934187  0.84869078  0.19508534
   0.64900504  0.87208268  0.23460447
   0.80106400  0.58227562  0.47803820
   0.55104947  0.56827660  0.38992743
   0.58790936  0.60279192  0.57221722
   0.79687735  0.72327694  0.80655766
   0.62435678  0.79882514  0.43529496
   0.88291817  0.95735856  0.85124823
   0.92221811  0.86598542  0.67320752
   0.67277861  0.93936284  0.73798004
   0.77764566  0.62258382  0.98231485
   0.51979322  0.66007716  0.90997817
   0.66736675  0.83661434  0.58300482
   0.69653435  0.85256114  0.45528044
   0.84765149  0.23955549  0.10202686
   1.01888928  0.42808297  0.31753483
   0.34407412  0.12061293  0.66640965
   0.23599827  0.71760690  0.74863016
  -0.01806290  1.11265912  0.10798265
   0.22411751  1.03926141  0.01212133
   0.64384589  0.38276707  0.87621370
   0.88816612  0.40603499  0.61117910
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.795032    0.357120   -0.040063
    -0.000000    9.853392    0.209562
    -0.000000    0.000000   14.220916
   Si   O    H 
    32    64    10
Direct configuration=  1220
   0.17438646  0.16437450 -0.03750747
   0.36616965  0.08227487  0.36703743
   0.12468009  0.40312631  0.10572949
   0.37242424  0.34032651  0.24156177
   0.11157030  0.15091565  0.48606445
   0.43522555  0.14751581  0.85629900
   0.12037414  0.39871019  0.62746157
   0.36327476  0.40037044  0.75767375
   0.11881928  0.67367283  0.00409020
   0.39055309  0.58345708  0.36147302
   0.05562023  0.89876960  0.15322563
   0.32571925  0.84446687  0.24723737
   0.16569450  0.66847880  0.49635761
   0.35441885  0.66177903  0.87286035
   0.06719268  0.91105372  0.61758384
   0.33585798  0.99096497  0.70470892
   0.64435994  0.14860516  1.00725195
   0.86493374  0.13399550  0.36770595
   0.60911998  0.42490191  0.11817211
   0.86255514  0.31515167  0.18729463
   0.61996213  0.18940386  0.48983212
   0.89308930  0.12249848  0.87435208
   0.57225792  0.45473652  0.62080879
   0.74709966  0.37851440  0.80013100
   0.61294522  0.66415848 -0.00370874
   0.90700919  0.59833266  0.38597763
   0.57408381  0.90126374  0.12743039
   0.79978640  0.84297392  0.28083782
   0.63629076  0.63801703  0.46846435
   0.86758785  0.62451566  0.88570201
   0.60687724  0.93327585  0.63749185
   0.82913439  0.87330814  0.76581077
   0.06208832  0.06040700  0.13338529
   0.34954242  0.18697336  0.27591851
   0.11557962  0.29305105  0.02140772
   0.32837189  0.44233866  0.33024854
   0.53063373  0.35522155  0.20314204
   0.26546648  0.39303456  0.16119634
   0.25274357  0.08944492  0.45333843
   0.02401059  0.16793465  0.38956552
   0.01764412  0.03816043  0.53628657
   0.46677923  0.26932236  0.77846499
   0.11158796  0.28926777  0.53912574
   0.33055681  0.50188869  0.85004016
   0.42504049  0.49157937  0.67136903
   0.21223800  0.34753287  0.72039138
   0.31539684  0.22194117 -0.08746407
   0.05741729  0.14517204  0.88676199
   0.08144825  0.55957069  0.08191972
   0.36360326  0.67867774  0.26452829
   0.09254428  0.81439850  0.06086820
   0.35906514  0.92892478  0.33737980
   0.40947099  0.88461221  0.14444164
   0.16261383  0.84519251  0.23427324
   0.30340049  0.64579917  0.44714168
   0.04928245  0.67016160  0.41844323
   0.15345727  0.54763113  0.57702344
   0.28789830  0.76698802  0.79436219
   0.15350220  0.80257946  0.56555789
   0.39143182  1.01230912  0.81039727
   0.44473079  0.88986016  0.65607215
   0.16700327  0.96637802  0.70006749
   0.27780415  0.66515547 -0.02415665
   0.02594569  0.63883634  0.90840551
   0.61984983  0.05333043  0.09757133
   0.82029905  0.21038488  0.27402933
   0.61536265  0.31063211  0.03130468
   0.94395269  0.44391143  0.35263353
   0.01543358  0.36393578  0.18779198
   0.75632671  0.45244098  0.16361313
   0.77521627  0.19376452  0.45312558
   0.50770919  0.12964826  0.41641299
   0.61358459  0.07759455  0.57649604
   0.81394769  0.22272348  0.80109754
   0.56645113  0.34874640  0.52925644
   0.87970152  0.47042100  0.84584397
   0.96397868  0.39952636  0.66237556
   0.68209788  0.40621210  0.70097585
   0.80288054  0.12402143  0.97245442
   0.56971413  0.09560926  0.91718290
   0.54759542  0.56286771  0.07472847
   0.82174325  0.68604242  0.30865532
   0.62224220  0.82216462  0.03067422
   0.85963395  0.95973553  0.35516302
   0.90950148  0.85012613  0.19513241
   0.64866404  0.87266942  0.23423750
   0.80100219  0.58130690  0.47840243
   0.55113665  0.57048670  0.38875505
   0.58702921  0.60223339  0.57119412
   0.79746352  0.72210628  0.80627444
   0.62426895  0.79633707  0.43555787
   0.88242371  0.95688528  0.85008150
   0.92182581  0.86505959  0.67256611
   0.67136151  0.93913910  0.73890152
   0.77654915  0.62569940  0.98294878
   0.51962549  0.65985496  0.90946275
   0.66997531  0.83615829  0.57989001
   0.69434779  0.85365560  0.45553773
   0.83956820  0.23694099  0.09638690
   1.03262376  0.42247170  0.31874120
   0.34100706  0.12657294  0.66160790
   0.23261133  0.71954218  0.74760853
  -0.02231441  1.11011592  0.10498243
   0.22153757  1.03876630  0.01409062
   0.64463395  0.38787018  0.87998358
   0.88098781  0.41255894  0.60613484
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796443    0.360926   -0.039081
    -0.000000    9.852383    0.210872
    -0.000000    0.000000   14.220966
   Si   O    H 
    32    64    10
Direct configuration=  1221
   0.17428628  0.16365177 -0.03737498
   0.36562851  0.08307309  0.36696713
   0.12329261  0.40259553  0.10560706
   0.37287643  0.34115774  0.24205307
   0.11182541  0.15098651  0.48497509
   0.43428439  0.14715526  0.85645001
   0.12222795  0.39872682  0.62712487
   0.36324533  0.40001453  0.75830252
   0.11727378  0.67517071  0.00483365
   0.38964072  0.58371586  0.36185048
   0.05512309  0.89782214  0.15259897
   0.32653184  0.84502906  0.24737421
   0.16497984  0.66802363  0.49611738
   0.35425306  0.66158814  0.87297584
   0.06543094  0.91245341  0.61817761
   0.33569647  0.99200540  0.70442195
   0.64387742  0.14930616  1.00714601
   0.86605239  0.13456971  0.36763931
   0.60966452  0.42571289  0.11866521
   0.86243166  0.31451792  0.18667708
   0.61871457  0.18841662  0.49057924
   0.89274073  0.12212323  0.87450153
   0.57126294  0.45477222  0.62118317
   0.74830805  0.37862414  0.79961282
   0.61438571  0.66285418 -0.00382954
   0.90505113  0.59745653  0.38543876
   0.57445750  0.90183542  0.12757923
   0.80041523  0.84401709  0.28023441
   0.63542931  0.63852461  0.46845194
   0.86678271  0.62490187  0.88648285
   0.60617916  0.93441649  0.63615937
   0.82903325  0.87372998  0.76572725
   0.06034355  0.05857314  0.13574724
   0.34904601  0.18541291  0.27650457
   0.11580035  0.29316048  0.02095783
   0.32885587  0.44193486  0.32939407
   0.53113891  0.35513490  0.20317123
   0.26701105  0.39342073  0.16116249
   0.25243993  0.08990823  0.45247987
   0.02418495  0.16745248  0.38969717
   0.01716857  0.03768369  0.53604075
   0.46650985  0.26653024  0.77679965
   0.11139519  0.28966698  0.53932774
   0.33021463  0.50273748  0.84950148
   0.42489207  0.49166413  0.67215881
   0.21331977  0.34832665  0.72016071
   0.31657269  0.22313193 -0.08704659
   0.05616540  0.14446000  0.88678715
   0.08317518  0.55887918  0.08221846
   0.36370164  0.67882097  0.26538230
   0.09556401  0.81235677  0.06264973
   0.36086297  0.93085736  0.33634149
   0.41003199  0.88394534  0.14531390
   0.16255142  0.84429196  0.23467480
   0.30290563  0.64851892  0.44635212
   0.05008650  0.66973911  0.41866357
   0.15397501  0.54741579  0.57699355
   0.28810047  0.76667119  0.79482488
   0.15508777  0.80200340  0.56605266
   0.38966371  1.01336810  0.81154255
   0.44513004  0.88883720  0.65521302
   0.16703143  0.96573737  0.69916742
   0.27651260  0.66539676 -0.02397749
   0.02536126  0.64073531  0.90888685
   0.61958951  0.05362588  0.09751983
   0.81866729  0.21090520  0.27440049
   0.61763005  0.31022346  0.03197271
   0.94582188  0.44391823  0.35087215
   0.01534809  0.36461645  0.18778814
   0.75676597  0.45134982  0.16162298
   0.77450030  0.19319222  0.45229300
   0.50755469  0.12979393  0.41653082
   0.61298476  0.07824332  0.57731594
   0.81566786  0.22409770  0.80155857
   0.56766489  0.34880842  0.52901676
   0.87798317  0.47008551  0.84510516
   0.96391417  0.39688432  0.66128787
   0.68247558  0.40730850  0.70243509
   0.80134993  0.12420264  0.97221782
   0.56885985  0.09821482  0.91693169
   0.54874535  0.56262221  0.07438696
   0.82254686  0.68568789  0.30829587
   0.62327134  0.82182148  0.03216748
   0.85891303  0.95961080  0.35537409
   0.90904867  0.85136307  0.19463377
   0.64858446  0.87347417  0.23358401
   0.80131367  0.57951844  0.47862626
   0.55144936  0.57260540  0.38753792
   0.58573037  0.60191663  0.57022902
   0.79796406  0.72083009  0.80596085
   0.62345984  0.79453487  0.43595725
   0.88260389  0.95677342  0.84911531
   0.92275835  0.86444498  0.67173845
   0.67010044  0.93912797  0.73960210
   0.77446032  0.62930505  0.98319832
   0.51883366  0.65981676  0.90833980
   0.67798605  0.83436211  0.57739330
   0.69220946  0.85852170  0.45637113
   0.83515037  0.23421249  0.09393807
   1.03894695  0.42224942  0.32073481
   0.33974577  0.13126795  0.65628999
   0.23135497  0.72546707  0.74971310
  -0.01932458  1.10250320  0.10370536
   0.22057350  1.04188231  0.01694861
   0.64540988  0.39046347  0.87959599
   0.88741146  0.41823172  0.60986681
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797599    0.364833   -0.038074
    -0.000000    9.851329    0.212043
    -0.000000    0.000000   14.221069
   Si   O    H 
    32    64    10
Direct configuration=  1222
   0.17415780  0.16308419 -0.03689948
   0.36491784  0.08368269  0.36713578
   0.12199674  0.40170945  0.10549488
   0.37254381  0.34202665  0.24248446
   0.11142469  0.15114591  0.48386504
   0.43348250  0.14682506  0.85671350
   0.12312925  0.39871262  0.62654517
   0.36350099  0.39999927  0.75868485
   0.11654925  0.67606525  0.00526325
   0.38854090  0.58428953  0.36181316
   0.05466821  0.89642771  0.15220607
   0.32746772  0.84448977  0.24745890
   0.16400166  0.66777257  0.49624220
   0.35406941  0.66089911  0.87298155
   0.06344367  0.91421941  0.61839223
   0.33538443  0.99343975  0.70399669
   0.64351153  0.15030427  1.00739324
   0.86765106  0.13448011  0.36758925
   0.60946059  0.42661508  0.11875352
   0.86239423  0.31364434  0.18579843
   0.61789998  0.18736872  0.49162402
   0.89230020  0.12187021  0.87503974
   0.57052294  0.45432544  0.62122905
   0.75010185  0.37909828  0.79954059
   0.61489321  0.66187724 -0.00383182
   0.90366253  0.59646297  0.38496605
   0.57462631  0.90235966  0.12757448
   0.80169132  0.84537674  0.27973763
   0.63462948  0.63906008  0.46854575
   0.86579029  0.62487698  0.88706360
   0.60558002  0.93513877  0.63470588
   0.82851077  0.87442304  0.76544427
   0.05844549  0.05714844  0.13776654
   0.34873238  0.18445087  0.27726924
   0.11593765  0.29288251  0.02078081
   0.32981672  0.44189701  0.32859035
   0.53131527  0.35372449  0.20374112
   0.26899737  0.39388545  0.16093159
   0.25264627  0.09005705  0.45163045
   0.02394713  0.16655819  0.38945827
   0.01658007  0.03661330  0.53634212
   0.46551760  0.26405520  0.77622060
   0.11192567  0.28993055  0.53943684
   0.32980403  0.50273542  0.84864590
   0.42479098  0.49247030  0.67280462
   0.21400641  0.34984070  0.72016642
   0.31640282  0.22411847 -0.08582251
   0.05482647  0.14363458  0.88721197
   0.08460571  0.55783048  0.08155976
   0.36353598  0.67925113  0.26609030
   0.09752355  0.81070711  0.06372221
   0.36173422  0.93163717  0.33519144
   0.41089733  0.88374932  0.14658643
   0.16161354  0.84435041  0.23456862
   0.30335890  0.65066114  0.44538681
   0.05048667  0.66876754  0.41842099
   0.15489806  0.54687734  0.57667076
   0.28771638  0.76642733  0.79541172
   0.15664000  0.79951609  0.56566135
   0.38803186  1.01459239  0.81235281
   0.44542334  0.88773733  0.65466173
   0.16768869  0.96464683  0.69800738
   0.27657945  0.66627196 -0.02352994
   0.02595639  0.64328124  0.90956995
   0.61932501  0.05340573  0.09781736
   0.81631146  0.21182191  0.27433733
   0.61938396  0.30948100  0.03224967
   0.94763656  0.44518059  0.34938439
   0.01578026  0.36578090  0.18780675
   0.75737993  0.44986539  0.15948119
   0.77360724  0.19226138  0.45166664
   0.50787323  0.13002239  0.41697155
   0.61224906  0.07891101  0.57803282
   0.81777632  0.22582162  0.80147879
   0.56955369  0.34838046  0.52873802
   0.87529054  0.46966216  0.84431626
   0.96362903  0.39515594  0.66015092
   0.68298567  0.40854773  0.70267675
   0.80092060  0.12409530  0.97231844
   0.56792242  0.10027703  0.91678847
   0.55069598  0.56253717  0.07388595
   0.82425922  0.68547698  0.30842611
   0.62451068  0.82275819  0.03412825
   0.85785045  0.95965677  0.35543586
   0.90884880  0.85262073  0.19412427
   0.64823619  0.87377785  0.23307556
   0.80190723  0.57791994  0.47819654
   0.55099282  0.57491540  0.38655004
   0.58469521  0.60223334  0.56957964
   0.79788622  0.71978981  0.80545221
   0.62277866  0.79260194  0.43663768
   0.88420800  0.95695413  0.84837129
   0.92434199  0.86306198  0.67115151
   0.66900753  0.93852158  0.73965652
   0.77372452  0.63184632  0.98396334
   0.51717895  0.65977323  0.90686449
   0.68588072  0.83417627  0.57723464
   0.68395619  0.86218492  0.45575492
   0.83612902  0.23299935  0.09646052
   1.03660097  0.42680061  0.32426861
   0.33713679  0.13417909  0.64940932
   0.22808153  0.72898418  0.74798098
  -0.01937994  1.09427150  0.10181643
   0.21708689  1.04233047  0.01789236
   0.64985121  0.39022100  0.87624881
   0.90243257  0.41990719  0.61917356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798802    0.369072   -0.036940
    -0.000000    9.849932    0.212770
    -0.000000    0.000000   14.221574
   Si   O    H 
    32    64    10
Direct configuration=  1223
   0.17426386  0.16274549 -0.03623053
   0.36440526  0.08522729  0.36742180
   0.12077532  0.40116154  0.10528529
   0.37214982  0.34251007  0.24282287
   0.11055480  0.15141892  0.48262612
   0.43295092  0.14683528  0.85677335
   0.12408896  0.39940384  0.62609886
   0.36399534  0.39954097  0.75920659
   0.11585355  0.67704893  0.00563155
   0.38734557  0.58468191  0.36176864
   0.05393004  0.89499884  0.15188646
   0.32777985  0.84379555  0.24682179
   0.16304693  0.66744802  0.49655514
   0.35396245  0.66038668  0.87336335
   0.06107049  0.91606700  0.61863103
   0.33475164  0.99449022  0.70385766
   0.64325323  0.15136834  1.00760700
   0.86942473  0.13488867  0.36751019
   0.60961823  0.42725227  0.11885812
   0.86196303  0.31245161  0.18499830
   0.61579483  0.18639537  0.49275575
   0.89164835  0.12193875  0.87552969
   0.57019062  0.45408538  0.62134467
   0.75107558  0.37950614  0.79977059
   0.61538106  0.66112523 -0.00403613
   0.90334510  0.59565461  0.38517920
   0.57419784  0.90259747  0.12774994
   0.80288243  0.84646639  0.27912131
   0.63386915  0.63965657  0.46821300
   0.86503407  0.62430285  0.88762650
   0.60480405  0.93593388  0.63316980
   0.82782375  0.87414636  0.76529022
   0.05682866  0.05616534  0.13910092
   0.34820555  0.18378824  0.27777767
   0.11724393  0.29249458  0.02135999
   0.33083728  0.44181929  0.32813043
   0.53105594  0.35260678  0.20478720
   0.27014486  0.39348509  0.16031391
   0.25264648  0.09126904  0.45110234
   0.02381223  0.16568835  0.38869915
   0.01557715  0.03577300  0.53661472
   0.46446841  0.26224555  0.77601104
   0.11183705  0.28986583  0.53946007
   0.32885880  0.50296235  0.84749554
   0.42420304  0.49341686  0.67348959
   0.21519864  0.35152572  0.72024933
   0.31577193  0.22492527 -0.08452267
   0.05254491  0.14363559  0.88720274
   0.08495408  0.55580812  0.08117643
   0.36361356  0.68006347  0.26693594
   0.09944460  0.80978692  0.06487687
   0.36324010  0.93271552  0.33439498
   0.41136019  0.88308314  0.14811133
   0.16048289  0.84532615  0.23490975
   0.30461772  0.65221366  0.44400355
   0.05007649  0.66756422  0.41761548
   0.15623756  0.54615812  0.57657939
   0.28764370  0.76508103  0.79602082
   0.15814251  0.79773057  0.56510933
   0.38671366  1.01477171  0.81271637
   0.44545933  0.88680774  0.65345499
   0.16828287  0.96352396  0.69626573
   0.27721622  0.66678576 -0.02333250
   0.02655873  0.64600434  0.91020701
   0.61854912  0.05302329  0.09793962
   0.81419295  0.21309213  0.27432675
   0.62087291  0.30947651  0.03212190
   0.94897755  0.44670669  0.34852606
   0.01616926  0.36691017  0.18803774
   0.75825117  0.44837099  0.15771425
   0.77247388  0.19173792  0.45140942
   0.50843680  0.13009926  0.41745629
   0.61189465  0.07993892  0.57838317
   0.82041354  0.22769124  0.80135192
   0.57055983  0.34826437  0.52824230
   0.87217720  0.46931711  0.84348849
   0.96437245  0.39330193  0.65995959
   0.68343433  0.40961214  0.70238818
   0.80102018  0.12447117  0.97204123
   0.56681727  0.10319743  0.91689893
   0.55241656  0.56299507  0.07369029
   0.82516340  0.68535844  0.30849179
   0.62540929  0.82299010  0.03591462
   0.85667722  0.95969618  0.35594494
   0.90776797  0.85397261  0.19287554
   0.64809853  0.87342537  0.23236705
   0.80233010  0.57660490  0.47703825
   0.55002948  0.57748454  0.38594223
   0.58307137  0.60216272  0.56979751
   0.79791347  0.71893657  0.80494402
   0.62391396  0.79096800  0.43704633
   0.88651059  0.95714888  0.84806834
   0.92562751  0.86070541  0.67102935
   0.66928335  0.93851112  0.74014567
   0.77350238  0.63386015  0.98414250
   0.51541274  0.65956152  0.90533534
   0.69202458  0.83747244  0.58059506
   0.67677016  0.86018200  0.45386254
   0.83758998  0.23291943  0.10088660
   1.03885609  0.43112484  0.32539732
   0.33786704  0.13280320  0.64580030
   0.22514862  0.73053685  0.74635836
  -0.02172949  1.09199324  0.09820732
   0.21430468  1.04226233  0.01672778
   0.65330351  0.39162131  0.87418183
   0.89896280  0.43015827  0.61325133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800110    0.374053   -0.035626
    -0.000000    9.847953    0.212942
    -0.000000    0.000000   14.222324
   Si   O    H 
    32    64    10
Direct configuration=  1224
   0.17498255  0.16288455 -0.03588969
   0.36431768  0.08720155  0.36783942
   0.12026510  0.40039290  0.10485610
   0.37218034  0.34277296  0.24286403
   0.11019809  0.15213611  0.48203702
   0.43267282  0.14769875  0.85687855
   0.12462054  0.39939487  0.62556116
   0.36446241  0.39880220  0.76034862
   0.11563844  0.67742129  0.00586975
   0.38655081  0.58483584  0.36165146
   0.05342815  0.89381107  0.15174159
   0.32823050  0.84243058  0.24597208
   0.16204420  0.66771043  0.49679384
   0.35353899  0.65972193  0.87410222
   0.05904168  0.91792099  0.61894625
   0.33465803  0.99582769  0.70422339
   0.64324680  0.15229179  1.00781420
   0.87086370  0.13491112  0.36742449
   0.60957329  0.42715989  0.11891502
   0.86174871  0.31129961  0.18444352
   0.61392478  0.18594179  0.49390060
   0.89117584  0.12219126  0.87644514
   0.56990989  0.45417579  0.62139437
   0.75263296  0.37959430  0.80039359
   0.61563358  0.66110743 -0.00423327
   0.90323661  0.59489209  0.38566645
   0.57460924  0.90188888  0.12787308
   0.80416217  0.84707755  0.27799842
   0.63429596  0.64033471  0.46827029
   0.86432125  0.62401740  0.88794676
   0.60403767  0.93588256  0.63183786
   0.82703453  0.87393289  0.76453303
   0.05597809  0.05528349  0.14058446
   0.34857587  0.18297634  0.27787240
   0.11862581  0.29331101  0.02225561
   0.33166850  0.44053065  0.32841917
   0.53049951  0.35152598  0.20563090
   0.27097836  0.39320127  0.15928093
   0.25278646  0.09203303  0.45047193
   0.02426218  0.16433090  0.38812355
   0.01555666  0.03500389  0.53779765
   0.46345027  0.26050366  0.77572344
   0.11121337  0.29006766  0.53965065
   0.32888936  0.50342118  0.84635851
   0.42391449  0.49490348  0.67442102
   0.21618046  0.35411743  0.71989173
   0.31419312  0.22566551 -0.08347977
   0.04948791  0.14377911  0.88684207
   0.08473237  0.55363913  0.08020868
   0.36328175  0.68146050  0.26810125
   0.10105543  0.80891057  0.06526458
   0.36458390  0.93361187  0.33373959
   0.41144669  0.88268053  0.14973930
   0.15940017  0.84691962  0.23511022
   0.30586680  0.65344930  0.44293133
   0.04873959  0.66645846  0.41687451
   0.15724186  0.54501075  0.57629859
   0.28757358  0.76431071  0.79605230
   0.15964325  0.79527967  0.56464551
   0.38553494  1.01423447  0.81296692
   0.44546673  0.88566837  0.65300141
   0.16946963  0.96300346  0.69472638
   0.27723587  0.66707109 -0.02333965
   0.02789914  0.64882127  0.91072250
   0.61746999  0.05278046  0.09804945
   0.81115252  0.21494673  0.27473713
   0.62247579  0.31075658  0.03232368
   0.94982325  0.44805326  0.34742742
   0.01699166  0.36713979  0.18838505
   0.75954741  0.44661544  0.15632989
   0.77118126  0.19163735  0.45109730
   0.50903785  0.13004315  0.41836381
   0.61119452  0.08102224  0.57950401
   0.82356923  0.22915742  0.80100649
   0.57214291  0.34778395  0.52878172
   0.86927893  0.46921391  0.84338659
   0.96446299  0.39197521  0.66026752
   0.68327770  0.41074938  0.70100252
   0.80118801  0.12460178  0.97234800
   0.56594035  0.10585157  0.91782721
   0.55416918  0.56299658  0.07396473
   0.82573591  0.68678504  0.30861267
   0.62611494  0.82292048  0.03781737
   0.85562206  0.95965680  0.35562693
   0.90699501  0.85437850  0.19136392
   0.64845245  0.87410769  0.23142166
   0.80213343  0.57595661  0.47594843
   0.54882880  0.57898361  0.38545749
   0.58094038  0.60237611  0.56966337
   0.79717068  0.71851513  0.80422088
   0.62430093  0.79009007  0.43661082
   0.88766829  0.95734031  0.84821428
   0.92704773  0.85889989  0.67097009
   0.67005251  0.93902543  0.74069283
   0.77443640  0.63465890  0.98405146
   0.51405889  0.65772465  0.90394584
   0.69807355  0.83959833  0.58550238
   0.68270164  0.86819645  0.45380499
   0.84095224  0.23441664  0.10304693
   1.04462931  0.43510616  0.32372936
   0.34199356  0.12749026  0.64435243
   0.22851948  0.73514178  0.74588604
  -0.01782660  1.09042260  0.09938028
   0.21163885  1.04245018  0.01675973
   0.65239211  0.39375854  0.87290449
   0.89483128  0.44143132  0.60888435
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800857    0.378742   -0.034555
    -0.000000    9.846365    0.213404
    -0.000000    0.000000   14.222865
   Si   O    H 
    32    64    10
Direct configuration=  1225
   0.17571357  0.16337753 -0.03580703
   0.36407239  0.08904710  0.36796991
   0.12064824  0.39960660  0.10513423
   0.37197295  0.34298344  0.24257016
   0.11013356  0.15193183  0.48163766
   0.43199759  0.14848129  0.85641559
   0.12495603  0.39973124  0.62507357
   0.36539014  0.39864774  0.76091480
   0.11595768  0.67762684  0.00604612
   0.38646645  0.58479819  0.36113953
   0.05269788  0.89283042  0.15150223
   0.32845609  0.84089601  0.24501933
   0.16161342  0.66849462  0.49718872
   0.35317447  0.65861655  0.87501003
   0.05702726  0.91941398  0.61874296
   0.33469557  0.99712098  0.70432922
   0.64350398  0.15271970  1.00794159
   0.87223885  0.13461510  0.36689090
   0.60959946  0.42677568  0.11898495
   0.86142222  0.31056314  0.18431153
   0.61219047  0.18577761  0.49506247
   0.89073105  0.12208028  0.87757941
   0.56956239  0.45372051  0.62153317
   0.75403972  0.37943825  0.80073154
   0.61565488  0.66119516 -0.00432732
   0.90326505  0.59440441  0.38649671
   0.57604591  0.90166742  0.12762479
   0.80534700  0.84811245  0.27722765
   0.63507938  0.64056646  0.46827990
   0.86386230  0.62322854  0.88815749
   0.60324138  0.93510181  0.63088703
   0.82568801  0.87321892  0.76351480
   0.05555723  0.05506105  0.14192758
   0.34828607  0.18261730  0.27820966
   0.12053402  0.29305479  0.02320289
   0.33299041  0.43916229  0.32905298
   0.52904746  0.35100624  0.20651715
   0.27137924  0.39373430  0.15872213
   0.25405382  0.09196928  0.44964314
   0.02494649  0.16334242  0.38742646
   0.01553265  0.03487157  0.53973366
   0.46236017  0.25997262  0.77554369
   0.11107311  0.29042105  0.54014562
   0.32890619  0.50357952  0.84469255
   0.42366980  0.49540819  0.67532546
   0.21646496  0.35719941  0.71928852
   0.31205167  0.22601294 -0.08250339
   0.04784331  0.14396243  0.88651589
   0.08497317  0.55159032  0.07842408
   0.36284416  0.68350946  0.26948544
   0.10115093  0.80946506  0.06596635
   0.36508972  0.93448707  0.33286191
   0.41146229  0.88249540  0.15074160
   0.15931756  0.84812840  0.23518934
   0.30633826  0.65412997  0.44203770
   0.04706049  0.66519325  0.41599957
   0.15881224  0.54363516  0.57660832
   0.28717827  0.76416152  0.79636933
   0.16093755  0.79345316  0.56420845
   0.38399529  1.01310470  0.81259486
   0.44579386  0.88518818  0.65241496
   0.17183076  0.96191477  0.69353991
   0.27676459  0.66766853 -0.02268522
   0.02874795  0.65166423  0.91089508
   0.61619302  0.05359705  0.09803856
   0.80765496  0.21580968  0.27469227
   0.62295862  0.31187833  0.03235971
   0.95130313  0.44922955  0.34654071
   0.01741534  0.36690905  0.18956164
   0.76160393  0.44458773  0.15571209
   0.77002968  0.19025691  0.45051383
   0.50924777  0.13016686  0.41869984
   0.61078365  0.08203105  0.58116525
   0.82595871  0.22990463  0.80116474
   0.57381929  0.34613201  0.52937528
   0.86769644  0.46915423  0.84329851
   0.96397371  0.39146132  0.66050608
   0.68347446  0.41241302  0.69947321
   0.80041289  0.12428161  0.97366017
   0.56466795  0.10847374  0.91812703
   0.55496981  0.56313586  0.07411088
   0.82511265  0.68912300  0.30825315
   0.62690811  0.82263947  0.03926734
   0.85445260  0.95861542  0.35526995
   0.90686784  0.85510870  0.18927017
   0.64854871  0.87494977  0.22989663
   0.80118402  0.57526776  0.47498571
   0.54759023  0.57932865  0.38497801
   0.57938003  0.60185616  0.56974559
   0.79648694  0.71838477  0.80339334
   0.62551067  0.79048062  0.43529090
   0.88880441  0.95876141  0.84897683
   0.92764590  0.85702234  0.67126300
   0.67061290  0.93979805  0.74115118
   0.77627277  0.63472382  0.98396660
   0.51208346  0.65695245  0.90219263
   0.70312091  0.84128342  0.58927151
   0.68624370  0.86933107  0.45437594
   0.84585624  0.23113528  0.10207823
   1.04638477  0.43742320  0.32241465
   0.34569787  0.11819718  0.64546265
   0.23140238  0.73578095  0.74878785
  -0.01436326  1.09223347  0.10154635
   0.20846200  1.04095530  0.01769082
   0.64532725  0.39360558  0.87206085
   0.90119346  0.44617231  0.61114189
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801313    0.383161   -0.033202
    -0.000000    9.844795    0.213917
    -0.000000    0.000000   14.223311
   Si   O    H 
    32    64    10
Direct configuration=  1226
   0.17622776  0.16452637 -0.03642272
   0.36417971  0.09037572  0.36781399
   0.12120227  0.39905694  0.10579108
   0.37130673  0.34305483  0.24221793
   0.10964203  0.15177630  0.48176643
   0.43129703  0.14932371  0.85595138
   0.12488936  0.39941237  0.62466096
   0.36599175  0.39919936  0.76119624
   0.11642385  0.67760979  0.00608832
   0.38516946  0.58490348  0.36064814
   0.05247796  0.89152074  0.15127966
   0.32862156  0.83966037  0.24420150
   0.16131939  0.66916911  0.49757292
   0.35244998  0.65739341  0.87571796
   0.05574640  0.92079402  0.61835195
   0.33481124  0.99800488  0.70415496
   0.64335012  0.15286803  1.00824266
   0.87359729  0.13441925  0.36650561
   0.61010228  0.42531598  0.11923499
   0.86125301  0.31023222  0.18424240
   0.61096728  0.18549532  0.49601592
   0.89022229  0.12197511  0.87865875
   0.56916489  0.45386775  0.62119564
   0.75496192  0.37947916  0.80143200
   0.61565998  0.66216415 -0.00451678
   0.90354652  0.59332680  0.38740893
   0.57784798  0.90156781  0.12786636
   0.80656773  0.84922505  0.27645417
   0.63626450  0.64102664  0.46854668
   0.86417500  0.62215078  0.88812509
   0.60204706  0.93459046  0.63056701
   0.82458216  0.87247601  0.76274549
   0.05571046  0.05493454  0.14313310
   0.34789191  0.18330434  0.27798584
   0.12177061  0.29359622  0.02474228
   0.33417179  0.43821580  0.32972573
   0.52751421  0.35109043  0.20724072
   0.27175432  0.39445366  0.15835539
   0.25484328  0.09195448  0.44917420
   0.02549338  0.16305497  0.38628022
   0.01589619  0.03548627  0.54156736
   0.46122912  0.25912392  0.77540747
   0.11106966  0.29022632  0.54068563
   0.32850608  0.50325298  0.84319708
   0.42280408  0.49521990  0.67615950
   0.21621250  0.35948491  0.71822441
   0.30980891  0.22600966 -0.08190428
   0.04758022  0.14452687  0.88644806
   0.08457324  0.55102977  0.07656110
   0.36326079  0.68530262  0.27062100
   0.10109452  0.80982146  0.06644269
   0.36551986  0.93517442  0.33222629
   0.41133306  0.88244376  0.15187545
   0.16050490  0.84947537  0.23481850
   0.30744930  0.65430813  0.44124401
   0.04517223  0.66345180  0.41521696
   0.16006135  0.54279727  0.57670653
   0.28721823  0.76450084  0.79643798
   0.16231620  0.79231197  0.56388721
   0.38324088  1.01169083  0.81222764
   0.44501636  0.88507618  0.65153538
   0.17432614  0.96104621  0.69261841
   0.27661564  0.66888708 -0.02234723
   0.02873924  0.65402267  0.91075274
   0.61478312  0.05469713  0.09807626
   0.80414068  0.21582572  0.27452435
   0.62287870  0.31198671  0.03272859
   0.95334098  0.45066121  0.34569991
   0.01754519  0.36648580  0.19076571
   0.76338388  0.44310759  0.15547228
   0.76785226  0.18957414  0.45001879
   0.50855524  0.12933874  0.41918347
   0.61046437  0.08327013  0.58292459
   0.82901944  0.22987593  0.80154091
   0.57443164  0.34571148  0.52995040
   0.86683763  0.47076156  0.84326296
   0.96329425  0.39171737  0.66058673
   0.68397055  0.41464762  0.69798142
   0.80003704  0.12414292  0.97502864
   0.56260406  0.11000134  0.91832454
   0.55523853  0.56327393  0.07450409
   0.82369256  0.69100144  0.30857929
   0.62759270  0.82196645  0.04061026
   0.85419673  0.95836764  0.35506268
   0.90712826  0.85643056  0.18814063
   0.64875447  0.87575559  0.22885010
   0.79945781  0.57517877  0.47413604
   0.54608129  0.57927758  0.38422995
   0.57781169  0.60115504  0.56977994
   0.79647756  0.71806601  0.80334104
   0.62744461  0.79186242  0.43439954
   0.89037811  0.96021234  0.84934267
   0.92803599  0.85544722  0.67161706
   0.67123381  0.94034135  0.74111327
   0.77815951  0.63458838  0.98420440
   0.51001208  0.65585014  0.90043862
   0.70783633  0.84520124  0.58886083
   0.68051520  0.85856816  0.45321119
   0.85018470  0.22470387  0.09955027
   1.04119873  0.43873806  0.32185624
   0.35123530  0.11265853  0.64732326
   0.22632728  0.73282343  0.74604911
  -0.01653942  1.09848341  0.10269231
   0.20659172  1.03496583  0.01676962
   0.63813274  0.39444159  0.87059550
   0.91223679  0.44202596  0.61922575
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801737    0.387875   -0.031913
    -0.000000    9.843290    0.214839
    -0.000000    0.000000   14.223947
   Si   O    H 
    32    64    10
Direct configuration=  1227
   0.17632716  0.16579386 -0.03706668
   0.36426841  0.09138343  0.36764463
   0.12193985  0.39883185  0.10652023
   0.37119303  0.34323753  0.24224582
   0.10964900  0.15167994  0.48223927
   0.43040381  0.15023056  0.85541376
   0.12428823  0.39911561  0.62442335
   0.36596467  0.39928126  0.76119461
   0.11704656  0.67689188  0.00637354
   0.38395263  0.58525215  0.36025105
   0.05179140  0.89004077  0.15131477
   0.32858929  0.83906392  0.24357975
   0.16166431  0.66965899  0.49813866
   0.35160042  0.65611424  0.87685039
   0.05490041  0.92081318  0.61787799
   0.33462900  0.99885553  0.70398794
   0.64302242  0.15281832  1.00853813
   0.87417084  0.13429881  0.36567066
   0.61049225  0.42310925  0.11994064
   0.86112547  0.30955591  0.18448750
   0.60914589  0.18602447  0.49697892
   0.88913730  0.12164965  0.87996884
   0.56819973  0.45377781  0.62117230
   0.75545993  0.38005293  0.80195381
   0.61519306  0.66382261 -0.00477379
   0.90363992  0.59230351  0.38815999
   0.57893291  0.90112285  0.12828881
   0.80782698  0.85061509  0.27571891
   0.63777791  0.64116545  0.46882260
   0.86490682  0.62140582  0.88814926
   0.60109132  0.93375151  0.63042053
   0.82371419  0.87179045  0.76267762
   0.05558181  0.05424253  0.14413852
   0.34736688  0.18453807  0.27775469
   0.12312643  0.29390132  0.02575759
   0.33492051  0.43778322  0.33034136
   0.52565778  0.35135610  0.20788607
   0.27223382  0.39535884  0.15801127
   0.25576822  0.09293534  0.44916685
   0.02607898  0.16276444  0.38475428
   0.01594900  0.03764214  0.54312690
   0.46104888  0.25957252  0.77538031
   0.11080858  0.28938235  0.54102703
   0.32813521  0.50277962  0.84187416
   0.42192849  0.49516624  0.67713652
   0.21610201  0.36132149  0.71716571
   0.30844953  0.22640696 -0.08155050
   0.04678276  0.14514417  0.88732107
   0.08359642  0.55100039  0.07533154
   0.36460126  0.68671344  0.27108307
   0.10104769  0.80964926  0.06626970
   0.36629836  0.93631842  0.33143926
   0.41173143  0.88287497  0.15289251
   0.16146434  0.85033063  0.23453780
   0.30802435  0.65439132  0.44112832
   0.04400194  0.66139103  0.41430140
   0.16223584  0.54237018  0.57681664
   0.28777249  0.76455115  0.79661018
   0.16228395  0.79277410  0.56382906
   0.38183898  1.01057066  0.81236833
   0.44447730  0.88611634  0.65050973
   0.17604171  0.96067664  0.69175425
   0.27679731  0.66999742 -0.02179835
   0.02692645  0.65669038  0.91010752
   0.61285555  0.05624451  0.09729924
   0.80185017  0.21523326  0.27416513
   0.62296737  0.31194083  0.03359316
   0.95492762  0.45122335  0.34488604
   0.01693890  0.36572763  0.19252563
   0.76435596  0.44161056  0.15536708
   0.76597539  0.18921007  0.44988023
   0.50828691  0.12873596  0.41988872
   0.61005167  0.08324561  0.58445451
   0.83243589  0.22940003  0.80188157
   0.57482788  0.34501409  0.53086542
   0.86674327  0.47309408  0.84323712
   0.96227512  0.39164460  0.66188422
   0.68415184  0.41663105  0.69711909
   0.79992506  0.12394250  0.97553986
   0.56042015  0.11149353  0.91789356
   0.55458828  0.56324411  0.07532825
   0.82266286  0.69308964  0.30868780
   0.62804534  0.82114463  0.04176227
   0.85309066  0.95789965  0.35483786
   0.90680066  0.85670167  0.18713167
   0.64922958  0.87667444  0.22767939
   0.79734591  0.57439071  0.47372965
   0.54456982  0.57854798  0.38292987
   0.57568958  0.60078646  0.56981839
   0.79640035  0.71782830  0.80358157
   0.62908958  0.79307411  0.43344314
   0.89166221  0.96162354  0.84892430
   0.92761227  0.85389020  0.67093419
   0.67193439  0.94041170  0.74057981
   0.77956257  0.63400233  0.98431874
   0.50911189  0.65512797  0.89926718
   0.70898728  0.84642592  0.58822786
   0.68449560  0.86212172  0.45541964
   0.85608350  0.21867187  0.09812544
   1.04008288  0.43818468  0.31751623
   0.35440437  0.11753561  0.64573419
   0.22545588  0.73104737  0.74684796
  -0.01923496  1.10473045  0.10623382
   0.20166132  1.03078510  0.01487768
   0.63196882  0.39111359  0.86929705
   0.91156386  0.44764078  0.62025142
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801917    0.392457   -0.030173
    -0.000000    9.841461    0.216051
    -0.000000    0.000000   14.225000
   Si   O    H 
    32    64    10
Direct configuration=  1228
   0.17564402  0.16618997 -0.03777260
   0.36495785  0.09187106  0.36751705
   0.12303993  0.39910526  0.10717786
   0.37133865  0.34373619  0.24233149
   0.10882377  0.15139274  0.48262328
   0.42965575  0.15084749  0.85568697
   0.12423439  0.39875656  0.62440253
   0.36552289  0.39919276  0.76132993
   0.11764196  0.67667256  0.00607885
   0.38338937  0.58583328  0.35926550
   0.05157686  0.88909704  0.15149643
   0.32849241  0.83860227  0.24366161
   0.16230616  0.66926016  0.49824404
   0.35093797  0.65490940  0.87831940
   0.05458756  0.92021016  0.61714165
   0.33377412  0.99984168  0.70341442
   0.64255329  0.15290213  1.00898832
   0.87405412  0.13429756  0.36506567
   0.61162934  0.42113836  0.12036489
   0.86127658  0.30930815  0.18468004
   0.60708952  0.18614170  0.49766110
   0.88764186  0.12131263  0.88105988
   0.56700596  0.45361692  0.62093480
   0.75475363  0.38042948  0.80172870
   0.61475332  0.66563097 -0.00494973
   0.90345679  0.59098217  0.38867719
   0.57963417  0.90124506  0.12868106
   0.80862383  0.85217231  0.27487814
   0.63910701  0.64086824  0.46879884
   0.86619712  0.62095911  0.88783144
   0.60015932  0.93305012  0.63086725
   0.82333388  0.87138567  0.76290846
   0.05399778  0.05416700  0.14473982
   0.34669988  0.18586254  0.27708941
   0.12448923  0.29347382  0.02693900
   0.33542548  0.43720215  0.33106206
   0.52437993  0.35212343  0.20791711
   0.27314623  0.39652662  0.15762451
   0.25603387  0.09450992  0.44992819
   0.02624547  0.16256769  0.38277768
   0.01629670  0.04031717  0.54472031
   0.46058024  0.26021495  0.77609061
   0.11055828  0.28908176  0.54146172
   0.32811677  0.50224759  0.84106209
   0.42185664  0.49505776  0.67780423
   0.21607727  0.36275498  0.71604042
   0.30800785  0.22712908 -0.08140511
   0.04683308  0.14558351  0.88860364
   0.08184379  0.55082731  0.07430036
   0.36526352  0.68837580  0.27169888
   0.10039693  0.80934833  0.06504561
   0.36687075  0.93696435  0.33097468
   0.41169517  0.88351025  0.15306858
   0.16205287  0.85093983  0.23435353
   0.30842394  0.65485699  0.44138808
   0.04269096  0.65971373  0.41381000
   0.16341703  0.54281066  0.57697617
   0.28779298  0.76357955  0.79632673
   0.16189354  0.79379023  0.56356500
   0.37972420  1.01049775  0.81258956
   0.44310021  0.88817710  0.64962785
   0.17790806  0.96149197  0.69100508
   0.27608081  0.67177047 -0.02083429
   0.02547715  0.65948725  0.91019237
   0.61086715  0.05829306  0.09630528
   0.79982860  0.21483670  0.27360947
   0.62350985  0.31218304  0.03477375
   0.95543815  0.45128795  0.34432898
   0.01644351  0.36575112  0.19440804
   0.76534412  0.44070137  0.15539944
   0.76426885  0.18797120  0.45045263
   0.50764017  0.12720208  0.42001084
   0.61057584  0.08411206  0.58567782
   0.83589117  0.22887257  0.80177177
   0.57520836  0.34441706  0.53141675
   0.86746924  0.47533923  0.84329383
   0.96179798  0.39255523  0.66309386
   0.68427631  0.41896811  0.69625290
   0.80031150  0.12405043  0.97553366
   0.55756695  0.11334880  0.91701313
   0.55366672  0.56284346  0.07649275
   0.82183272  0.69512534  0.30877621
   0.62773790  0.82021597  0.04204748
   0.85156509  0.95797729  0.35518913
   0.90591819  0.85690946  0.18579438
   0.65031402  0.87743137  0.22683983
   0.79555467  0.57355715  0.47319078
   0.54297756  0.57797174  0.38140839
   0.57402586  0.60073058  0.56900140
   0.79608743  0.71739269  0.80381241
   0.63047096  0.79477057  0.43198516
   0.89245088  0.96286464  0.84834581
   0.92779093  0.85300688  0.67044494
   0.67267707  0.94056912  0.73920860
   0.78051111  0.63420641  0.98416242
   0.50842759  0.65404300  0.89856640
   0.70762761  0.84777572  0.58755876
   0.69183708  0.86904021  0.45875719
   0.86114628  0.21582364  0.09802038
   1.04681828  0.43577537  0.30849915
   0.35769733  0.12310544  0.64599400
   0.22763693  0.72958109  0.75160380
  -0.01732650  1.11086045  0.11404464
   0.19707080  1.03218597  0.00895629
   0.63246503  0.38750795  0.86983072
   0.90258133  0.45858278  0.61742198
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801822    0.397293   -0.027995
    -0.000000    9.840419    0.216782
    -0.000000    0.000000   14.226165
   Si   O    H 
    32    64    10
Direct configuration=  1229
   0.17423073  0.16661840 -0.03842541
   0.36570329  0.09193636  0.36736512
   0.12418518  0.39962939  0.10784021
   0.37117147  0.34426029  0.24263302
   0.10861748  0.15126915  0.48306675
   0.42884016  0.15159415  0.85572446
   0.12368493  0.39867912  0.62396969
   0.36527135  0.39922015  0.76123786
   0.11834380  0.67635898  0.00548804
   0.38316927  0.58671458  0.35812063
   0.05234563  0.88857377  0.15166867
   0.32832349  0.83822637  0.24373837
   0.16266004  0.66859631  0.49851893
   0.35011389  0.65346081  0.87959493
   0.05464907  0.91883323  0.61633790
   0.33257221  1.00126346  0.70260040
   0.64216888  0.15314366  1.00954945
   0.87340471  0.13434623  0.36461342
   0.61188011  0.41935416  0.12053538
   0.86179620  0.30927408  0.18434237
   0.60541136  0.18643180  0.49824475
   0.88629693  0.12105877  0.88202165
   0.56618318  0.45334256  0.62041811
   0.75387397  0.38067169  0.80114253
   0.61500967  0.66752082 -0.00504626
   0.90356842  0.58971983  0.38896895
   0.57994278  0.90156323  0.12942345
   0.80930147  0.85362873  0.27383144
   0.64065912  0.64056519  0.46875531
   0.86712335  0.62064262  0.88736155
   0.59907149  0.93275520  0.63155517
   0.82313528  0.87064016  0.76353367
   0.05295070  0.05502335  0.14567837
   0.34590279  0.18733664  0.27619111
   0.12533889  0.29319039  0.02802990
   0.33581761  0.43695935  0.33244538
   0.52331758  0.35348608  0.20804109
   0.27377849  0.39831862  0.15712367
   0.25625745  0.09621365  0.45085591
   0.02713810  0.16365036  0.38099378
   0.01631386  0.04342816  0.54506560
   0.46016087  0.26147682  0.77642823
   0.11079175  0.28886242  0.54165599
   0.32791825  0.50244208  0.84080571
   0.42107144  0.49388394  0.67837182
   0.21657431  0.36404157  0.71498132
   0.30795835  0.22740765 -0.08172947
   0.04759018  0.14594702  0.88972542
   0.07987330  0.55071340  0.07333362
   0.36525034  0.68936350  0.27238321
   0.09977331  0.80927930  0.06341504
   0.36754116  0.93759064  0.33047250
   0.41290808  0.88391122  0.15316014
   0.16288457  0.85178021  0.23356887
   0.30837227  0.65620509  0.44161374
   0.04108679  0.65872824  0.41353070
   0.16405934  0.54327459  0.57747590
   0.28792486  0.76247868  0.79658333
   0.16093229  0.79584489  0.56366301
   0.37786588  1.00986559  0.81282919
   0.44297264  0.89021403  0.64870742
   0.17896846  0.96221312  0.68969764
   0.27567174  0.67326720 -0.01984609
   0.02415057  0.66273124  0.91034060
   0.60852325  0.06003571  0.09608883
   0.79863120  0.21444452  0.27336098
   0.62353865  0.31272910  0.03589196
   0.95617684  0.45043311  0.34373720
   0.01675434  0.36601987  0.19578550
   0.76606708  0.43989782  0.15565018
   0.76294498  0.18608046  0.45123225
   0.50737179  0.12550879  0.41977630
   0.61095730  0.08495680  0.58728695
   0.83883712  0.22975005  0.80130476
   0.57563274  0.34346320  0.53248635
   0.86827378  0.47798694  0.84307885
   0.96134491  0.39428065  0.66365810
   0.68482678  0.42085322  0.69565165
   0.80021362  0.12432545  0.97541705
   0.55577188  0.11514454  0.91564294
   0.55305104  0.56224399  0.07725830
   0.82148195  0.69651139  0.30947339
   0.62700761  0.81816849  0.04150012
   0.84974124  0.95833640  0.35586974
   0.90497267  0.85726968  0.18402842
   0.65211444  0.87862429  0.22669440
   0.79390562  0.57305842  0.47291394
   0.54203734  0.57725069  0.38025700
   0.57250336  0.60116210  0.56818865
   0.79538191  0.71806366  0.80426865
   0.63152452  0.79702991  0.43083771
   0.89243303  0.96410930  0.84713518
   0.92812717  0.85310356  0.67054177
   0.67361048  0.94129793  0.73769769
   0.78194995  0.63394089  0.98399711
   0.50825103  0.65335192  0.89860283
   0.70444318  0.84474380  0.58553805
   0.69193716  0.86476045  0.45667393
   0.86538736  0.21489371  0.10267825
   1.03936129  0.43854885  0.30413467
   0.35844692  0.12766204  0.64621774
   0.22959385  0.72504131  0.75461143
  -0.01405008  1.11418479  0.11950698
   0.19307710  1.03676572  0.00117021
   0.63842490  0.38683136  0.86620581
   0.90282801  0.46291483  0.61989773
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802258    0.401036   -0.025867
    -0.000000    9.839618    0.217692
    -0.000000    0.000000   14.226940
   Si   O    H 
    32    64    10
Direct configuration=  1230
   0.17228112  0.16751991 -0.03892981
   0.36648964  0.09149969  0.36794615
   0.12521669  0.39959336  0.10868552
   0.37070822  0.34513435  0.24306106
   0.10846228  0.15100016  0.48358410
   0.42839861  0.15196565  0.85575703
   0.12267410  0.39826230  0.62376839
   0.36406967  0.39936775  0.76101283
   0.11838757  0.67593266  0.00479417
   0.38305983  0.58771318  0.35679932
   0.05317038  0.88826778  0.15179902
   0.32734369  0.83865942  0.24436437
   0.16283438  0.66731346  0.49872775
   0.34895999  0.65181871  0.88076340
   0.05500584  0.91748351  0.61531604
   0.33219649  1.00279021  0.70136592
   0.64114813  0.15317043  1.00931030
   0.87286293  0.13416295  0.36413798
   0.61191043  0.41767280  0.12056952
   0.86274038  0.30885860  0.18407737
   0.60406833  0.18652180  0.49874792
   0.88556979  0.12112587  0.88265608
   0.56540599  0.45302105  0.62000916
   0.75381938  0.38081342  0.80074916
   0.61516083  0.66957800 -0.00484335
   0.90340101  0.58868645  0.38877634
   0.58034583  0.90213075  0.13038585
   0.80943194  0.85455422  0.27263601
   0.64125365  0.64025883  0.46832858
   0.86767989  0.62099135  0.88679737
   0.59837864  0.93342600  0.63226795
   0.82282593  0.86945620  0.76434145
   0.05283613  0.05554303  0.14683918
   0.34518021  0.18920695  0.27550925
   0.12559221  0.29324349  0.02863246
   0.33537325  0.43609891  0.33316338
   0.52357251  0.35492531  0.20870265
   0.27479149  0.39935109  0.15713725
   0.25616993  0.09764720  0.45119515
   0.02819445  0.16512234  0.37935428
   0.01656674  0.04631607  0.54588526
   0.46073831  0.26249558  0.77676417
   0.11249591  0.28840368  0.54193463
   0.32709039  0.50276960  0.83981817
   0.42065547  0.49252532  0.67857541
   0.21697232  0.36403580  0.71438441
   0.30905406  0.22769457 -0.08231221
   0.04842860  0.14725209  0.89085709
   0.07792886  0.55078844  0.07271888
   0.36550907  0.68961312  0.27286750
   0.09923317  0.80981493  0.06163861
   0.36890236  0.93878374  0.32938714
   0.41416604  0.88444600  0.15245968
   0.16381645  0.85248821  0.23242123
   0.30845430  0.65709662  0.44199053
   0.04053510  0.65831529  0.41370285
   0.16521003  0.54331381  0.57767953
   0.28840956  0.76188295  0.79757118
   0.15929849  0.79850289  0.56357506
   0.37583257  1.00931867  0.81262699
   0.44236598  0.89268052  0.64750257
   0.18023258  0.96289361  0.68816651
   0.27467181  0.67518042 -0.01946827
   0.02301171  0.66520719  0.91024022
   0.60658887  0.06181378  0.09621561
   0.79850269  0.21492953  0.27295204
   0.62331502  0.31331922  0.03676598
   0.95650947  0.44926476  0.34329838
   0.01655212  0.36644403  0.19668026
   0.76589590  0.43977334  0.15575926
   0.76216860  0.18369865  0.45253333
   0.50641102  0.12412540  0.41928748
   0.61135091  0.08598263  0.58925018
   0.84188689  0.23011589  0.80070856
   0.57513123  0.34191836  0.53298620
   0.86958614  0.48031895  0.84211042
   0.96084969  0.39673285  0.66400756
   0.68609052  0.42315350  0.69588969
   0.80010495  0.12484243  0.97519847
   0.55478266  0.11710239  0.91497408
   0.55301921  0.56152019  0.07768282
   0.82172133  0.69741979  0.31024025
   0.62627141  0.81567557  0.04064362
   0.84705673  0.95950613  0.35680936
   0.90396843  0.85646333  0.18220041
   0.65483462  0.87957933  0.22783856
   0.79244925  0.57314521  0.47293494
   0.54271935  0.57634935  0.37968880
   0.57080736  0.60229329  0.56743831
   0.79475065  0.71908083  0.80447420
   0.63296727  0.79931520  0.42985061
   0.89273358  0.96549105  0.84601142
   0.92803133  0.85228094  0.67068320
   0.67437569  0.94268021  0.73643865
   0.78292214  0.63320053  0.98359951
   0.50876031  0.65267074  0.89868722
   0.70135091  0.84319348  0.58141097
   0.69212348  0.85924900  0.45446742
   0.86764658  0.21912837  0.10922156
   1.02830632  0.44356710  0.29894090
   0.35237124  0.13287011  0.64796704
   0.22719288  0.71579511  0.75037152
  -0.01491967  1.12155042  0.12022847
   0.19235292  1.03863892 -0.00471339
   0.64626240  0.38539900  0.86366126
   0.90859106  0.45884013  0.62639970
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803027    0.404576   -0.023763
    -0.000000    9.838698    0.218616
    -0.000000    0.000000   14.227575
   Si   O    H 
    32    64    10
Direct configuration=  1231
   0.17045198  0.16807869 -0.03943048
   0.36688266  0.09124637  0.36779933
   0.12662879  0.39980254  0.11012570
   0.37022894  0.34613234  0.24323178
   0.10866034  0.15109326  0.48410375
   0.42783304  0.15226851  0.85599689
   0.12171722  0.39785287  0.62362333
   0.36290723  0.39963514  0.76021219
   0.11793102  0.67554082  0.00400457
   0.38298100  0.58842708  0.35571249
   0.05342695  0.88825886  0.15180327
   0.32677896  0.84023401  0.24537296
   0.16347487  0.66627643  0.49887454
   0.34815882  0.65074671  0.88201249
   0.05606498  0.91652688  0.61468844
   0.33147390  1.00414821  0.69989380
   0.64027661  0.15305863  1.00878508
   0.87136048  0.13351275  0.36353411
   0.61189738  0.41637307  0.12060087
   0.86355196  0.30890744  0.18404254
   0.60366671  0.18633509  0.49893360
   0.88490341  0.12145342  0.88309266
   0.56515129  0.45283086  0.61952665
   0.75431002  0.38027325  0.80036647
   0.61553654  0.67084684 -0.00463667
   0.90310437  0.58802292  0.38859553
   0.58067613  0.90249180  0.13119454
   0.80953308  0.85501979  0.27147073
   0.64127823  0.64041422  0.46788582
   0.86813647  0.62177402  0.88645100
   0.59831254  0.93439518  0.63256028
   0.82253363  0.86835031  0.76553593
   0.05266658  0.05566929  0.14781756
   0.34425786  0.18985195  0.27464198
   0.12587266  0.29314555  0.02938655
   0.33498036  0.43503000  0.33376967
   0.52458662  0.35627587  0.20869151
   0.27545476  0.39993958  0.15708242
   0.25559136  0.09901330  0.45104645
   0.03047519  0.16695527  0.37800277
   0.01666724  0.04825506  0.54706178
   0.46188164  0.26339102  0.77679568
   0.11384109  0.28711053  0.54263106
   0.32557379  0.50286901  0.83964483
   0.42077986  0.49126272  0.67825125
   0.21642761  0.36373373  0.71438182
   0.31073464  0.22855562 -0.08277443
   0.04989076  0.14840936  0.89197536
   0.07540356  0.55097195  0.07218156
   0.36517507  0.68917852  0.27305347
   0.09822074  0.81064880  0.05981114
   0.37078932  0.93962856  0.32881918
   0.41557109  0.88441608  0.15217729
   0.16499434  0.85316762  0.23221167
   0.30862386  0.65854657  0.44318183
   0.04072873  0.65893989  0.41474984
   0.16646281  0.54291897  0.57739629
   0.28857889  0.76110329  0.79872932
   0.15731332  0.80061986  0.56340950
   0.37452434  1.00940080  0.81284701
   0.44154743  0.89539678  0.64700451
   0.18057339  0.96301793  0.68663245
   0.27370184  0.67731437 -0.01941064
   0.02111621  0.66807799  0.90986122
   0.60411692  0.06345682  0.09627502
   0.79864991  0.21551935  0.27243027
   0.62312464  0.31270011  0.03665819
   0.95665819  0.44835260  0.34313283
   0.01709652  0.36637151  0.19680922
   0.76647820  0.43919972  0.15646686
   0.76189971  0.18077498  0.45339150
   0.50551899  0.12297057  0.41865470
   0.61089566  0.08655651  0.59062863
   0.84383670  0.23010430  0.80033041
   0.57422838  0.34092254  0.53338484
   0.87087458  0.48142045  0.84096703
   0.96134438  0.39860970  0.66438862
   0.68780925  0.42461865  0.69669589
   0.80020917  0.12608362  0.97524991
   0.55455010  0.11801712  0.91473715
   0.55371587  0.56094495  0.07828886
   0.82183247  0.69840741  0.31134152
   0.62512929  0.81295507  0.03978566
   0.84501232  0.96137678  0.35687933
   0.90273894  0.85453133  0.17995395
   0.65807971  0.88077646  0.22923572
   0.79061235  0.57322613  0.47308900
   0.54310705  0.57557720  0.37974265
   0.56972433  0.60355067  0.56644675
   0.79417165  0.72017632  0.80445932
   0.63378728  0.80182213  0.42843875
   0.89274980  0.96667614  0.84468773
   0.92874729  0.85222550  0.67066642
   0.67458703  0.94373116  0.73496644
   0.78246086  0.63312039  0.98324249
   0.51039016  0.65206457  0.89894572
   0.69549924  0.84200647  0.57880580
   0.70329361  0.86413403  0.45604219
   0.86918140  0.21958129  0.11291727
   1.02205114  0.44727876  0.29079951
   0.34477035  0.13714088  0.65394094
   0.23262581  0.71170023  0.75102657
  -0.01708427  1.12507267  0.12045157
   0.19470779  1.03321545 -0.00559891
   0.64758852  0.38090278  0.86507457
   0.90907657  0.46110545  0.62752622
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803844    0.408637   -0.021931
    -0.000000    9.838165    0.219525
    -0.000000    0.000000   14.227911
   Si   O    H 
    32    64    10
Direct configuration=  1232
   0.16926795  0.16855922 -0.03957373
   0.36681452  0.09071464  0.36752760
   0.12795108  0.39991562  0.11148146
   0.36940419  0.34684257  0.24330526
   0.10864321  0.15110080  0.48418381
   0.42666744  0.15222545  0.85575843
   0.12106644  0.39780813  0.62356419
   0.36179747  0.39968802  0.75968559
   0.11717296  0.67434477  0.00349006
   0.38276396  0.58906202  0.35476619
   0.05398580  0.88840041  0.15208285
   0.32653048  0.84196064  0.24620031
   0.16393829  0.66565574  0.49904967
   0.34734776  0.64976570  0.88299224
   0.05772637  0.91570254  0.61440918
   0.33123933  1.00527864  0.69850483
   0.63947059  0.15312152  1.00821872
   0.86977463  0.13281687  0.36303300
   0.61211314  0.41538865  0.12036476
   0.86480542  0.30869415  0.18424400
   0.60376762  0.18614274  0.49881873
   0.88436375  0.12147827  0.88327181
   0.56533876  0.45237628  0.61891074
   0.75476909  0.37922085  0.79962593
   0.61556514  0.67149470 -0.00406254
   0.90302710  0.58715141  0.38807701
   0.58027862  0.90306940  0.13192929
   0.80945333  0.85507660  0.27024537
   0.64047431  0.64081320  0.46725185
   0.86926209  0.62285500  0.88597560
   0.59854609  0.93462401  0.63287879
   0.82231255  0.86778964  0.76651577
   0.05266065  0.05546053  0.14875613
   0.34370571  0.19051626  0.27410611
   0.12574008  0.29291915  0.02951009
   0.33458729  0.43419549  0.33406236
   0.52589555  0.35712302  0.20882683
   0.27620835  0.40036465  0.15745169
   0.25488213  0.10052826  0.45096980
   0.03188237  0.16870794  0.37679861
   0.01632438  0.04916011  0.54788597
   0.46327498  0.26443701  0.77699148
   0.11556747  0.28588223  0.54313750
   0.32305962  0.50265903  0.83966753
   0.42148854  0.48995650  0.67772767
   0.21615556  0.36310475  0.71508865
   0.31182566  0.22873043 -0.08374138
   0.04997741  0.14929888  0.89316764
   0.07294649  0.55147942  0.07151170
   0.36511676  0.68934470  0.27226938
   0.09806607  0.81154887  0.05784237
   0.37215886  0.94046982  0.32842950
   0.41733415  0.88437880  0.15191859
   0.16608557  0.85401148  0.23203842
   0.30893314  0.65928467  0.44445676
   0.04081221  0.66059843  0.41626803
   0.16708071  0.54253173  0.57658884
   0.28829863  0.76071619  0.79944054
   0.15471024  0.80177871  0.56374055
   0.37368167  1.00981246  0.81268007
   0.43985950  0.89792939  0.64703069
   0.18046219  0.96327201  0.68515472
   0.27306428  0.67858253 -0.01945384
   0.01973917  0.67071862  0.90944636
   0.60213110  0.06474718  0.09689142
   0.80007526  0.21667641  0.27153439
   0.62226955  0.31271313  0.03640287
   0.95594800  0.44735710  0.34303838
   0.01715064  0.36625548  0.19696966
   0.76745189  0.43843291  0.15727852
   0.76218898  0.17814445  0.45424181
   0.50527330  0.12180272  0.41776178
   0.61035304  0.08751830  0.59238181
   0.84493793  0.23125638  0.80008276
   0.57313066  0.34051175  0.53369685
   0.87214849  0.48102755  0.83987345
   0.96168050  0.39976440  0.66517502
   0.68861660  0.42572691  0.69703533
   0.79961443  0.12667936  0.97560939
   0.55486662  0.11868472  0.91497770
   0.55389282  0.56114249  0.07922978
   0.82210692  0.69845978  0.31268185
   0.62428008  0.81126339  0.03913610
   0.84357208  0.96307716  0.35683328
   0.90181843  0.85230785  0.17785381
   0.66097052  0.88141961  0.23019096
   0.78886102  0.57213860  0.47336323
   0.54368567  0.57484169  0.37973468
   0.56896585  0.60497092  0.56515754
   0.79257699  0.72150461  0.80453503
   0.63496631  0.80388781  0.42700519
   0.89224423  0.96756586  0.84325483
   0.92960857  0.85215026  0.67115076
   0.67542457  0.94396475  0.73378287
   0.78093261  0.63347941  0.98318433
   0.51328304  0.65165452  0.89909150
   0.68225565  0.84331838  0.57948494
   0.70838674  0.86024391  0.45496999
   0.86733435  0.21442522  0.10984163
   1.01604478  0.44909824  0.28362688
   0.33978151  0.13868263  0.65864032
   0.24141911  0.70990680  0.75678822
  -0.01262402  1.12086483  0.12374505
   0.20345703  1.02545093 -0.00502249
   0.64339483  0.37764317  0.86982477
   0.89996780  0.46558361  0.62394543
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804690    0.412805   -0.019613
    -0.000000    9.837555    0.220126
    -0.000000    0.000000   14.227998
   Si   O    H 
    32    64    10
Direct configuration=  1233
   0.16877865  0.16884938 -0.03938666
   0.36679266  0.09016631  0.36691578
   0.12925980  0.39999986  0.11269224
   0.36849914  0.34719594  0.24344408
   0.10835587  0.15147992  0.48365033
   0.42590226  0.15154458  0.85552456
   0.12054263  0.39821282  0.62379869
   0.36072203  0.39968872  0.75954302
   0.11591627  0.67365928  0.00316118
   0.38270802  0.58990039  0.35418063
   0.05515956  0.88882569  0.15232508
   0.32708642  0.84319666  0.24706917
   0.16410171  0.66539188  0.49894423
   0.34598952  0.64924469  0.88386078
   0.05923322  0.91460763  0.61437850
   0.33135870  1.00625490  0.69755580
   0.63912154  0.15330828  1.00748434
   0.86784027  0.13291092  0.36204307
   0.61244954  0.41425859  0.12023782
   0.86556575  0.30921042  0.18457340
   0.60408713  0.18486074  0.49849906
   0.88431834  0.12178214  0.88265764
   0.56596338  0.45187773  0.61808314
   0.75526615  0.37817137  0.79903714
   0.61532219  0.67178618 -0.00350798
   0.90345937  0.58640053  0.38763023
   0.58038918  0.90398331  0.13239385
   0.80923592  0.85507524  0.26923938
   0.63901615  0.64108326  0.46613686
   0.86972295  0.62342361  0.88587701
   0.59882861  0.93576465  0.63355212
   0.82244328  0.86728088  0.76732884
   0.05355877  0.05522176  0.14957792
   0.34281324  0.19158150  0.27337481
   0.12547629  0.29330476  0.02977948
   0.33433905  0.43383719  0.33485014
   0.52752356  0.35769125  0.20921188
   0.27729234  0.40122156  0.15813244
   0.25403562  0.10187422  0.45108188
   0.03296757  0.16965695  0.37623152
   0.01564456  0.04983769  0.54867147
   0.46486847  0.26635014  0.77734256
   0.11612109  0.28407098  0.54372211
   0.32059120  0.50287074  0.84030748
   0.42346739  0.48948637  0.67710333
   0.21580612  0.36187038  0.71538570
   0.31195717  0.22830002 -0.08374678
   0.04920410  0.14993416  0.89378347
   0.07096773  0.55084077  0.07155994
   0.36518940  0.68919471  0.27081156
   0.09815461  0.81287384  0.05681684
   0.37279480  0.93967419  0.32834649
   0.41949484  0.88466093  0.15222877
   0.16669537  0.85529492  0.23171808
   0.30875718  0.66014274  0.44600589
   0.04181358  0.66193756  0.41824897
   0.16783418  0.54186206  0.57598167
   0.28883180  0.76064808  0.80000673
   0.15162368  0.80160371  0.56401361
   0.37273047  1.00969861  0.81219899
   0.43833497  0.90020620  0.64729513
   0.18042188  0.96478953  0.68359458
   0.27277259  0.68008088 -0.01964230
   0.01884737  0.67348762  0.90895650
   0.60005041  0.06590745  0.09777258
   0.80136909  0.21808017  0.27079115
   0.62124546  0.31208212  0.03618093
   0.95495095  0.44652492  0.34250466
   0.01707753  0.36575278  0.19691550
   0.76849942  0.43739919  0.15748743
   0.76190309  0.17515458  0.45480125
   0.50588859  0.12061786  0.41760160
   0.60988318  0.08811900  0.59437266
   0.84529984  0.23208055  0.79969782
   0.57182013  0.33971655  0.53356693
   0.87323193  0.47983349  0.83901138
   0.96212697  0.40127441  0.66532570
   0.68919221  0.42721279  0.69756994
   0.79796731  0.12725032  0.97626193
   0.55607663  0.11987966  0.91533929
   0.55347758  0.56262591  0.07970337
   0.82248053  0.69810224  0.31373753
   0.62313041  0.81056117  0.03921081
   0.84212449  0.96420776  0.35602845
   0.90117794  0.84979513  0.17569516
   0.66319602  0.88122546  0.23135459
   0.78774528  0.57128482  0.47361894
   0.54538794  0.57402509  0.37994202
   0.56835088  0.60597087  0.56446424
   0.79005551  0.72202478  0.80481560
   0.63557491  0.80610058  0.42644853
   0.89183447  0.96813461  0.84136881
   0.93070352  0.85239004  0.67154589
   0.67590545  0.94334506  0.73251038
   0.77821068  0.63359720  0.98372298
   0.51693772  0.65126850  0.89903571
   0.67295204  0.84033556  0.58178436
   0.70305949  0.85356840  0.45120863
   0.86435675  0.21030201  0.10508531
   1.00839229  0.45338278  0.27935139
   0.33879226  0.14429490  0.66137177
   0.24534239  0.70089247  0.75497548
  -0.01698282  1.11947845  0.12568785
   0.21075215  1.02352187 -0.00568838
   0.64031784  0.37083958  0.87352603
   0.89775444  0.46396624  0.62576615
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805439    0.417366   -0.016933
    -0.000000    9.837000    0.220490
    -0.000000    0.000000   14.227182
   Si   O    H 
    32    64    10
Direct configuration=  1234
   0.16852725  0.16952650 -0.03924168
   0.36588049  0.09041547  0.36640828
   0.12960647  0.40012206  0.11394232
   0.36796497  0.34729695  0.24341052
   0.10767162  0.15127706  0.48324058
   0.42485150  0.15066389  0.85484290
   0.11998576  0.39845011  0.62384527
   0.35969862  0.39948569  0.75886947
   0.11468030  0.67301139  0.00281006
   0.38253569  0.59006749  0.35389441
   0.05601811  0.88910129  0.15238951
   0.32825528  0.84457118  0.24725214
   0.16399568  0.66556751  0.49887751
   0.34594928  0.64886865  0.88436171
   0.06043144  0.91342747  0.61432311
   0.33129564  1.00754861  0.69681526
   0.63854303  0.15348483  1.00688541
   0.86528173  0.13263568  0.36180064
   0.61339710  0.41423461  0.11972554
   0.86655459  0.30982811  0.18518904
   0.60474547  0.18347827  0.49864092
   0.88470643  0.12164136  0.88195481
   0.56649767  0.45159183  0.61716006
   0.75569401  0.37767765  0.79846488
   0.61551107  0.67132281 -0.00286235
   0.90390800  0.58589054  0.38754728
   0.58033579  0.90528714  0.13282509
   0.80988893  0.85454371  0.26884997
   0.63692455  0.64174843  0.46484639
   0.87016102  0.62384127  0.88593081
   0.59837802  0.93657678  0.63449624
   0.82279570  0.86750103  0.76800064
   0.05459348  0.05509185  0.15036583
   0.34168973  0.19305011  0.27260691
   0.12463252  0.29399391  0.02971291
   0.33404525  0.43373484  0.33560609
   0.52953121  0.35798710  0.20968735
   0.27825975  0.40245338  0.15881921
   0.25374965  0.10320193  0.45118940
   0.03257949  0.17082044  0.37566426
   0.01538182  0.04920242  0.54959060
   0.46676548  0.26820937  0.77790958
   0.11770784  0.28204556  0.54403385
   0.31884069  0.50263681  0.84115928
   0.42533826  0.48949387  0.67667693
   0.21568038  0.35971714  0.71532835
   0.31217981  0.22774667 -0.08325249
   0.04784858  0.14998281  0.89418710
   0.06893351  0.54958543  0.07195637
   0.36574044  0.68958473  0.26951810
   0.09797703  0.81412312  0.05589451
   0.37422947  0.93827081  0.32846742
   0.42090115  0.88429146  0.15243194
   0.16718383  0.85612265  0.23114774
   0.30828222  0.66049660  0.44744298
   0.04259737  0.66304061  0.42005098
   0.16865428  0.54141832  0.57551146
   0.28894142  0.75937355  0.80054662
   0.14967220  0.80082346  0.56388863
   0.37238560  1.00991283  0.81181095
   0.43722363  0.90271394  0.64796030
   0.17937972  0.96722298  0.68120853
   0.27343083  0.68086629 -0.01943876
   0.01755793  0.67648878  0.90844047
   0.59804296  0.06653294  0.09897190
   0.80286331  0.21954883  0.27032182
   0.62039791  0.31112689  0.03547696
   0.95431360  0.44564731  0.34154711
   0.01692930  0.36527445  0.19650284
   0.76881271  0.43654092  0.15765386
   0.76206312  0.17254902  0.45552500
   0.50652022  0.12003009  0.41736367
   0.60914319  0.08869039  0.59641540
   0.84570667  0.23337357  0.79882460
   0.57086200  0.33929572  0.53418308
   0.87422219  0.47817394  0.83757612
   0.96285053  0.40374178  0.66490329
   0.68916766  0.42864993  0.69737193
   0.79704637  0.12794497  0.97716213
   0.55635350  0.12069744  0.91603809
   0.55341980  0.56327866  0.07977809
   0.82343871  0.69838945  0.31483120
   0.62181329  0.81204154  0.04002374
   0.84100503  0.96527432  0.35511406
   0.90156364  0.84747621  0.17347358
   0.66494267  0.88025756  0.23204807
   0.78790980  0.57048587  0.47302133
   0.54653084  0.57403759  0.37987237
   0.56728441  0.60670709  0.56369562
   0.78696126  0.72273191  0.80540220
   0.63536722  0.80687410  0.42621889
   0.89109598  0.96905165  0.83965017
   0.93120729  0.85155375  0.67190796
   0.67779716  0.94267172  0.73176829
   0.77628863  0.63343100  0.98411034
   0.52009494  0.65101064  0.89858376
   0.66842879  0.83254797  0.58178626
   0.71362320  0.85703830  0.45377731
   0.85930365  0.20928087  0.10102118
   0.99747996  0.45303930  0.28142970
   0.34095024  0.15273695  0.66316388
   0.24824204  0.69727591  0.75516735
  -0.02357281  1.12170727  0.12734930
   0.21325293  1.03008092 -0.00377334
   0.64349443  0.36469184  0.87182907
   0.90162020  0.45758665  0.62681979
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806350    0.421879   -0.014467
    -0.000000    9.836055    0.220123
    -0.000000    0.000000   14.226210
   Si   O    H 
    32    64    10
Direct configuration=  1235
   0.16871920  0.16986083 -0.03886242
   0.36448494  0.09013585  0.36585048
   0.13000076  0.40034716  0.11506708
   0.36803416  0.34681979  0.24346896
   0.10706407  0.15119442  0.48308918
   0.42394222  0.14961979  0.85434005
   0.11918657  0.39878851  0.62413719
   0.35902622  0.39904712  0.75814427
   0.11339639  0.67225696  0.00275808
   0.38251383  0.59013623  0.35414567
   0.05669162  0.88922862  0.15210832
   0.32918446  0.84543781  0.24702155
   0.16360005  0.66568703  0.49866521
   0.34677009  0.64892127  0.88486881
   0.06114167  0.91225077  0.61450761
   0.33124490  1.00892079  0.69620700
   0.63772944  0.15344381  1.00662744
   0.86310000  0.13206802  0.36169538
   0.61422660  0.41480609  0.11937248
   0.86665185  0.31030371  0.18546844
   0.60565219  0.18208407  0.49884243
   0.88552698  0.12123222  0.88112840
   0.56731468  0.45238596  0.61656766
   0.75590606  0.37687823  0.79770426
   0.61570294  0.67050856 -0.00219936
   0.90366609  0.58617671  0.38715975
   0.58002122  0.90646393  0.13268012
   0.81071500  0.85409711  0.26884768
   0.63556971  0.64211044  0.46352748
   0.87028258  0.62470216  0.88578489
   0.59775077  0.93721376  0.63510053
   0.82389281  0.86807364  0.76841237
   0.05479258  0.05512656  0.15068771
   0.34167564  0.19386135  0.27164351
   0.12452654  0.29449553  0.03014513
   0.33387422  0.43434535  0.33642705
   0.53133764  0.35851949  0.20989538
   0.27956524  0.40436095  0.15940186
   0.25359010  0.10418931  0.45088467
   0.03281316  0.17248715  0.37499841
   0.01502426  0.04749481  0.55010666
   0.46864104  0.27056076  0.77837329
   0.11885719  0.28025172  0.54485517
   0.31777393  0.50215752  0.84212786
   0.42734517  0.48923495  0.67593807
   0.21532352  0.35803328  0.71526343
   0.31237687  0.22737485 -0.08268951
   0.04657711  0.14967280  0.89490569
   0.06743732  0.54849329  0.07207120
   0.36567339  0.69045688  0.26727628
   0.09729066  0.81625031  0.05555020
   0.37591689  0.93712636  0.32868196
   0.42238536  0.88402150  0.15261926
   0.16667869  0.85580588  0.23102933
   0.30811329  0.66092698  0.44861056
   0.04312180  0.66419732  0.42171547
   0.16995784  0.54117237  0.57525232
   0.28865459  0.75727823  0.80099544
   0.14821153  0.79984255  0.56397035
   0.37188095  1.01018652  0.81138706
   0.43677853  0.90474913  0.64807172
   0.17840725  0.96935504  0.67925374
   0.27454558  0.68140514 -0.02012820
   0.01630965  0.67893444  0.90825414
   0.59616743  0.06666533  0.09987223
   0.80457035  0.21967425  0.27004781
   0.61934344  0.30996185  0.03470797
   0.95310101  0.44424085  0.34133277
   0.01672416  0.36544543  0.19569545
   0.76906047  0.43693277  0.15816978
   0.76294048  0.16971026  0.45586740
   0.50809884  0.12080246  0.41759670
   0.60892062  0.08961622  0.59772120
   0.84576110  0.23454066  0.79815072
   0.57146201  0.33796907  0.53483033
   0.87533536  0.47660536  0.83650604
   0.96331873  0.40570732  0.66474168
   0.68895521  0.42975945  0.69678557
   0.79647454  0.12846046  0.97805867
   0.55681184  0.12172366  0.91624939
   0.55432140  0.56351927  0.07979551
   0.82514067  0.69834106  0.31590603
   0.62086408  0.81436997  0.04103689
   0.83977110  0.96645001  0.35431446
   0.90127763  0.84559033  0.17125136
   0.66604015  0.87938943  0.23262948
   0.78824431  0.56935148  0.47283006
   0.54705470  0.57478179  0.38013794
   0.56671773  0.60739406  0.56272345
   0.78481525  0.72282875  0.80586373
   0.63567121  0.80728235  0.42576407
   0.89026883  0.97035029  0.83840412
   0.93220891  0.85059780  0.67229922
   0.67922202  0.94154178  0.73136135
   0.77455616  0.63286781  0.98409268
   0.52296116  0.65174776  0.89940860
   0.66765181  0.82414761  0.58285246
   0.71695508  0.86042760  0.45288690
   0.85694934  0.20955824  0.10087853
   0.98980175  0.45408819  0.27932701
   0.34177407  0.15754739  0.66601594
   0.25031689  0.69652207  0.75552840
  -0.02501193  1.11944413  0.12937191
   0.21585491  1.04246176 -0.00062647
   0.65078471  0.36307315  0.86730844
   0.90627624  0.45684321  0.62609157
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807038    0.426269   -0.011621
    -0.000000    9.835480    0.219720
    -0.000000    0.000000   14.224982
   Si   O    H 
    32    64    10
Direct configuration=  1236
   0.16847989  0.17035343 -0.03799142
   0.36310923  0.09028042  0.36521863
   0.13018684  0.40058561  0.11605240
   0.36846253  0.34624084  0.24385314
   0.10676099  0.15098262  0.48295406
   0.42320423  0.14932368  0.85373839
   0.11818816  0.39945245  0.62460855
   0.35822192  0.39908088  0.75738322
   0.11212122  0.67163440  0.00295211
   0.38309040  0.58994609  0.35459961
   0.05713223  0.88976846  0.15199207
   0.33095829  0.84622543  0.24618173
   0.16307327  0.66542988  0.49855679
   0.34808135  0.64883547  0.88434685
   0.06167370  0.91159096  0.61490593
   0.33111048  1.01065605  0.69576574
   0.63677253  0.15295575  1.00614398
   0.86112414  0.13220439  0.36167098
   0.61425116  0.41546598  0.11943679
   0.86640575  0.30952924  0.18621244
   0.60598716  0.18109628  0.49919526
   0.88626882  0.12116886  0.88034184
   0.56796571  0.45310906  0.61583893
   0.75677504  0.37647398  0.79728872
   0.61563468  0.67015482 -0.00146611
   0.90327116  0.58673247  0.38697290
   0.57970684  0.90764322  0.13235220
   0.81203365  0.85353670  0.26960753
   0.63467787  0.64230679  0.46212913
   0.87028231  0.62578667  0.88566914
   0.59757573  0.93727617  0.63563825
   0.82470975  0.86874897  0.76870290
   0.05471321  0.05515469  0.15055574
   0.34136612  0.19444457  0.27127131
   0.12461641  0.29570148  0.03048214
   0.33311892  0.43510535  0.33766656
   0.53230899  0.35950299  0.21008911
   0.28062897  0.40689460  0.15954406
   0.25423698  0.10442417  0.45078389
   0.03170788  0.17382770  0.37521134
   0.01420390  0.04551118  0.55043342
   0.46916970  0.27268747  0.77844466
   0.12031474  0.27919369  0.54579803
   0.31742707  0.50200582  0.84335952
   0.42952837  0.48903662  0.67469366
   0.21421923  0.35547598  0.71527666
   0.31255050  0.22639097 -0.08174928
   0.04443916  0.14945698  0.89584535
   0.06664604  0.54636721  0.07207958
   0.36574446  0.69121878  0.26490491
   0.09635459  0.81838340  0.05511810
   0.37755320  0.93637752  0.32948959
   0.42317179  0.88323264  0.15371809
   0.16631176  0.85486660  0.23068353
   0.30812997  0.66110570  0.44936027
   0.04298354  0.66469379  0.42272657
   0.17093977  0.54002929  0.57507657
   0.28939688  0.75488843  0.80070225
   0.14708446  0.79876358  0.56348483
   0.37170201  1.00983760  0.81083675
   0.43672231  0.90611970  0.64778946
   0.17696195  0.97091306  0.67776799
   0.27478957  0.68195170 -0.02058349
   0.01568332  0.68068099  0.90851608
   0.59468767  0.06728931  0.10035070
   0.80589893  0.21971099  0.27044231
   0.61783407  0.30942850  0.03342972
   0.95169012  0.44283817  0.34159220
   0.01763505  0.36611125  0.19473564
   0.76886620  0.43759683  0.15856846
   0.76414283  0.16777988  0.45572610
   0.50945928  0.12161266  0.41725405
   0.60874105  0.09072893  0.59839918
   0.84528608  0.23581937  0.79745280
   0.57184353  0.33632400  0.53512262
   0.87700603  0.47599167  0.83522370
   0.96410621  0.40787848  0.66491642
   0.68783214  0.43107820  0.69643365
   0.79605711  0.12984505  0.97867860
   0.55786411  0.12244266  0.91691132
   0.55516455  0.56406699  0.07961802
   0.82654054  0.69866598  0.31743144
   0.61949863  0.81647098  0.04169874
   0.83862846  0.96786695  0.35289116
   0.90081301  0.84288701  0.16980706
   0.66573283  0.87975901  0.23210843
   0.78885511  0.56752194  0.47247518
   0.54750297  0.57562842  0.38021357
   0.56641191  0.60795681  0.56196664
   0.78345815  0.72232463  0.80645555
   0.63734892  0.80736391  0.42528948
   0.88934006  0.97151590  0.83738637
   0.93291381  0.84983258  0.67282986
   0.68059055  0.94039385  0.73105261
   0.77293924  0.63251576  0.98426866
   0.52529990  0.65222857  0.90003238
   0.66538357  0.81753012  0.58595657
   0.71006941  0.85497222  0.44938582
   0.85447763  0.21465734  0.10338911
   0.98799567  0.45540991  0.27557061
   0.34217089  0.15615380  0.66794740
   0.25359123  0.69663490  0.75566397
  -0.02785222  1.11234645  0.13315153
   0.21677374  1.04619652  0.00358573
   0.65338475  0.35965763  0.86421743
   0.90028666  0.46434094  0.61893694
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807608    0.430056   -0.008988
    -0.000000    9.834949    0.219482
    -0.000000    0.000000   14.223451
   Si   O    H 
    32    64    10
Direct configuration=  1237
   0.16769334  0.17088816 -0.03683903
   0.36187008  0.09084303  0.36489660
   0.13037682  0.40162075  0.11666180
   0.36932287  0.34581670  0.24468426
   0.10611362  0.15089181  0.48251454
   0.42304041  0.14993003  0.85291908
   0.11782895  0.40005165  0.62493604
   0.35716678  0.39948382  0.75674801
   0.11087741  0.67127977  0.00336645
   0.38390247  0.58956496  0.35488419
   0.05702501  0.89052463  0.15154032
   0.33254827  0.84660645  0.24534242
   0.16297762  0.66544439  0.49857711
   0.35038302  0.64913353  0.88382536
   0.06161407  0.91135191  0.61471311
   0.33140007  1.01231665  0.69573468
   0.63596024  0.15260964  1.00584643
   0.85976441  0.13196404  0.36150125
   0.61367219  0.41615911  0.11912307
   0.86626549  0.30854293  0.18661857
   0.60622408  0.18003787  0.49962638
   0.88638712  0.12092017  0.87976247
   0.56827077  0.45417744  0.61499638
   0.75778943  0.37571355  0.79662880
   0.61515193  0.66943759 -0.00088318
   0.90260853  0.58754095  0.38716503
   0.57922978  0.90848851  0.13217183
   0.81371617  0.85252497  0.27052840
   0.63373614  0.64249625  0.46047392
   0.86991929  0.62633390  0.88566806
   0.59744953  0.93674856  0.63583632
   0.82557259  0.86974019  0.76854717
   0.05501740  0.05610801  0.14990402
   0.34215837  0.19383120  0.27117256
   0.12490934  0.29738853  0.03117605
   0.33227515  0.43620292  0.33858969
   0.53192362  0.36074461  0.21022561
   0.28038604  0.41011959  0.15946720
   0.25569899  0.10400676  0.45074176
   0.02900971  0.17557365  0.37562428
   0.01314020  0.04390501  0.55051483
   0.46883973  0.27390157  0.77805179
   0.12180138  0.27890334  0.54663812
   0.31687432  0.50156417  0.84455611
   0.43188610  0.48851633  0.67384073
   0.21307044  0.35328988  0.71549606
   0.31230636  0.22601943 -0.08069130
   0.04227301  0.14898534  0.89694414
   0.06563003  0.54399531  0.07208979
   0.36602216  0.69054778  0.26318646
   0.09542901  0.82007589  0.05488049
   0.37813223  0.93600062  0.33007215
   0.42361561  0.88290860  0.15429177
   0.16572309  0.85483984  0.22953496
   0.30853965  0.66228885  0.44964481
   0.04237097  0.66411707  0.42278316
   0.17154918  0.53910993  0.57501342
   0.29057523  0.75348935  0.80119337
   0.14583874  0.79740967  0.56249518
   0.37185489  1.00892259  0.80972055
   0.43611169  0.90732184  0.64712943
   0.17585448  0.97242305  0.67711019
   0.27503044  0.68233745 -0.02082591
   0.01562995  0.68296181  0.90868171
   0.59375156  0.06783634  0.09990234
   0.80800613  0.22008420  0.27132503
   0.61567590  0.30920916  0.03244308
   0.95016139  0.44163908  0.34223402
   0.01736690  0.36626988  0.19333747
   0.76864450  0.43872962  0.15942928
   0.76524936  0.16626226  0.45505012
   0.51089885  0.12246609  0.41686146
   0.60822638  0.09220671  0.59886741
   0.84429946  0.23532312  0.79683280
   0.57151967  0.33485492  0.53569421
   0.87909157  0.47553988  0.83451048
   0.96439212  0.40998499  0.66458359
   0.68728939  0.43206423  0.69623169
   0.79578436  0.13158525  0.97903174
   0.55867220  0.12302377  0.91739585
   0.55607722  0.56512662  0.07976810
   0.82792850  0.69837951  0.31868202
   0.61765937  0.81911421  0.04226742
   0.83749907  0.96856403  0.35157839
   0.89995308  0.84151964  0.16889605
   0.66427105  0.88042482  0.23093961
   0.78951092  0.56591862  0.47159357
   0.54719736  0.57657216  0.38032593
   0.56665492  0.60763847  0.56083858
   0.78358231  0.72185387  0.80711556
   0.63807761  0.80725138  0.42499916
   0.88871842  0.97230468  0.83666720
   0.93330910  0.84884147  0.67335413
   0.68289195  0.93965113  0.73223132
   0.77217188  0.63190070  0.98369758
   0.52712261  0.65217602  0.90077594
   0.66218309  0.81811321  0.59016216
   0.70654532  0.85426634  0.44661521
   0.85627366  0.22409010  0.10638720
   0.98811640  0.45497213  0.27402710
   0.34209159  0.15600784  0.66773186
   0.25313830  0.69311100  0.75286399
  -0.03013623  1.10081701  0.13394843
   0.21812046  1.04708576  0.01016949
   0.65237200  0.35882054  0.86506257
   0.90100615  0.47030512  0.61453069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.808740    0.432963   -0.006221
    -0.000000    9.834354    0.219300
    -0.000000    0.000000   14.222048
   Si   O    H 
    32    64    10
Direct configuration=  1238
   0.16674029  0.17181511 -0.03580860
   0.36155941  0.09134127  0.36427240
   0.13012547  0.40194084  0.11704351
   0.37062015  0.34554696  0.24565021
   0.10527153  0.15052210  0.48224528
   0.42312206  0.15085436  0.85229183
   0.11720385  0.40125008  0.62509571
   0.35678115  0.40028415  0.75572861
   0.10998422  0.67140533  0.00379193
   0.38509469  0.58921714  0.35532636
   0.05638245  0.89124922  0.15128999
   0.33302748  0.84716607  0.24433311
   0.16338976  0.66513064  0.49844284
   0.35349719  0.64937132  0.88271588
   0.06125165  0.91101440  0.61512470
   0.33162264  1.01397504  0.69595527
   0.63510215  0.15222066  1.00563671
   0.85881033  0.13176095  0.36148804
   0.61288262  0.41705013  0.11904570
   0.86597461  0.30749991  0.18660514
   0.60593989  0.17935386  0.49969089
   0.88603045  0.12103976  0.87900161
   0.56878065  0.45579962  0.61444282
   0.75873123  0.37544050  0.79570382
   0.61404535  0.66864209 -0.00012201
   0.90263804  0.58874596  0.38754028
   0.57900910  0.90896827  0.13174459
   0.81531108  0.85122131  0.27148859
   0.63316687  0.64295699  0.45909009
   0.86921505  0.62598481  0.88540615
   0.59658483  0.93629368  0.63644549
   0.82603408  0.87044095  0.76781908
   0.05574532  0.05686330  0.14946849
   0.34281929  0.19250598  0.27159666
   0.12478837  0.29827030  0.03140757
   0.33148953  0.43687948  0.33980272
   0.53107871  0.36245967  0.21079461
   0.27940074  0.41375520  0.15947922
   0.25740912  0.10405989  0.45053514
   0.02534569  0.17689474  0.37614464
   0.01215756  0.04344893  0.55015741
   0.46894440  0.27466327  0.77790638
   0.12392899  0.27903313  0.54747317
   0.31578019  0.50069530  0.84525072
   0.43334870  0.48718713  0.67300455
   0.21204163  0.35173007  0.71587478
   0.31250199  0.22488693 -0.07954140
   0.04099169  0.14872302  0.89816232
   0.06458382  0.54180514  0.07184978
   0.36650820  0.68938187  0.26187973
   0.09465730  0.82060501  0.05476349
   0.37911191  0.93520782  0.33071742
   0.42291701  0.88302361  0.15465625
   0.16597072  0.85434862  0.22873771
   0.30955967  0.66430251  0.44985441
   0.04125529  0.66321610  0.42293923
   0.17145328  0.53783998  0.57472376
   0.29108857  0.75255813  0.80199689
   0.14453832  0.79624200  0.56124399
   0.37216256  1.00878095  0.80870295
   0.43531411  0.90978064  0.64590119
   0.17528190  0.97432675  0.67662951
   0.27500118  0.68269822 -0.02081658
   0.01643640  0.68471837  0.90951008
   0.59321802  0.06791605  0.09966501
   0.80954665  0.22004114  0.27240855
   0.61378109  0.31081682  0.03182182
   0.94902989  0.44042322  0.34231595
   0.01760782  0.36714041  0.19254933
   0.76738056  0.43999804  0.15999875
   0.76563915  0.16507152  0.45401017
   0.51233261  0.12326275  0.41590467
   0.60776902  0.09332403  0.59927991
   0.84481166  0.23388732  0.79693108
   0.57104944  0.33435052  0.53615043
   0.88093422  0.47535127  0.83361660
   0.96339735  0.41266900  0.66368684
   0.68684749  0.43308209  0.69605254
   0.79576293  0.13244292  0.97920918
   0.55893486  0.12316048  0.91775522
   0.55648520  0.56649072  0.08011439
   0.82899872  0.69842953  0.31944315
   0.61662201  0.82183712  0.04261924
   0.83628604  0.96916765  0.35034932
   0.89866613  0.84014237  0.16840059
   0.66190563  0.88152103  0.22925377
   0.79021862  0.56501061  0.47020602
   0.54582195  0.57745974  0.38027095
   0.56836092  0.60725832  0.56019065
   0.78398856  0.72168269  0.80748955
   0.63717369  0.80622998  0.42464573
   0.88800653  0.97262594  0.83598730
   0.93353279  0.84730921  0.67435206
   0.68517755  0.93887282  0.73340648
   0.77207459  0.63171147  0.98286090
   0.52838369  0.65220613  0.90106568
   0.65922521  0.82216975  0.59391317
   0.71818317  0.86507631  0.44997866
   0.85617216  0.23037147  0.10633036
   0.98715194  0.45141177  0.27494087
   0.34029205  0.15171693  0.66770402
   0.25585740  0.69396974  0.75198710
  -0.03558722  1.09226950  0.13217777
   0.21895517  1.04557540  0.01699056
   0.65145669  0.36075995  0.86461222
   0.90975343  0.46808502  0.61725155
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809957    0.435510   -0.003906
    -0.000000    9.833575    0.219195
    -0.000000    0.000000   14.220417
   Si   O    H 
    32    64    10
Direct configuration=  1239
   0.16583553  0.17256805 -0.03397554
   0.36208634  0.09179375  0.36418093
   0.13005385  0.40223774  0.11713731
   0.37166012  0.34510210  0.24612553
   0.10461786  0.14993854  0.48156765
   0.42393118  0.15153341  0.85218903
   0.11706392  0.40216681  0.62468510
   0.35699935  0.40059319  0.75492055
   0.10898768  0.67097603  0.00462079
   0.38569294  0.58888796  0.35573389
   0.05514041  0.89248561  0.15103569
   0.33317675  0.84738875  0.24349242
   0.16374534  0.66455201  0.49834275
   0.35745337  0.64939740  0.88202059
   0.06117742  0.91111452  0.61555505
   0.33154196  1.01463502  0.69618179
   0.63457618  0.15230550  1.00592298
   0.85928715  0.13173971  0.36170090
   0.61243459  0.41831307  0.11947574
   0.86502585  0.30676707  0.18657854
   0.60512402  0.17834758  0.49938707
   0.88526768  0.12131275  0.87843270
   0.56948680  0.45740904  0.61389238
   0.75940776  0.37573206  0.79519516
   0.61294125  0.66776976  0.00043530
   0.90309393  0.59029699  0.38785204
   0.57887001  0.90881588  0.13149135
   0.81686584  0.84966758  0.27244129
   0.63248082  0.64350212  0.45772997
   0.86828755  0.62551618  0.88512888
   0.59535885  0.93608880  0.63730246
   0.82610244  0.87017215  0.76670871
   0.05587328  0.05824403  0.14924637
   0.34280387  0.19158709  0.27210594
   0.12443058  0.29808346  0.03123659
   0.33118662  0.43724336  0.34016992
   0.53039112  0.36487100  0.21171510
   0.27763004  0.41695590  0.15963737
   0.25900628  0.10392897  0.45106978
   0.02070869  0.17810484  0.37719093
   0.01137689  0.04402938  0.54949196
   0.46883272  0.27542589  0.77749568
   0.12598334  0.27883189  0.54835733
   0.31456741  0.49918290  0.84547034
   0.43440824  0.48514132  0.67208004
   0.21031597  0.34951309  0.71608208
   0.31225945  0.22394370 -0.07827805
   0.03938834  0.14862252  0.89923710
   0.06344800  0.54062181  0.07181186
   0.36671907  0.68752507  0.26069070
   0.09326111  0.82119152  0.05487857
   0.37997829  0.93399760  0.33174886
   0.42172962  0.88280250  0.15449078
   0.16623856  0.85383750  0.22789973
   0.31151815  0.66634251  0.44997924
   0.04015749  0.66291540  0.42308136
   0.17093192  0.53647702  0.57431655
   0.29167038  0.75173333  0.80288241
   0.14369134  0.79573612  0.55974630
   0.37228318  1.00938263  0.80806174
   0.43509174  0.91123509  0.64413028
   0.17516439  0.97611979  0.67623190
   0.27452342  0.68292105 -0.02052362
   0.01752079  0.68630784  0.90991835
   0.59287437  0.06842633  0.09906192
   0.81068374  0.21876656  0.27372155
   0.61269871  0.31350562  0.03165907
   0.94786199  0.43979703  0.34203301
   0.01728031  0.36688261  0.19175765
   0.76584396  0.44175965  0.16074591
   0.76565997  0.16371635  0.45292570
   0.51359029  0.12439917  0.41477026
   0.60795191  0.09487211  0.59917772
   0.84547592  0.23257239  0.79724251
   0.57088125  0.33371370  0.53700210
   0.88255270  0.47604522  0.83293025
   0.96236838  0.41470192  0.66263775
   0.68656382  0.43362752  0.69542610
   0.79582905  0.13409444  0.97930659
   0.55865666  0.12278815  0.91726376
   0.55714143  0.56724831  0.08048102
   0.82995709  0.69879497  0.31989868
   0.61584673  0.82449873  0.04274256
   0.83527600  0.96931546  0.34839633
   0.89752463  0.83902518  0.16827762
   0.65921482  0.88323042  0.22763947
   0.79073280  0.56466823  0.46855112
   0.54455540  0.57787635  0.37996014
   0.57091439  0.60777940  0.55958659
   0.78469648  0.72145363  0.80768413
   0.63656645  0.80507605  0.42461355
   0.88659100  0.97231275  0.83565882
   0.93359372  0.84581316  0.67573394
   0.68645198  0.93869328  0.73471430
   0.77258935  0.63044473  0.98146334
   0.52856874  0.65172593  0.90092729
   0.65820844  0.82134088  0.59207772
   0.71437274  0.86502530  0.44696637
   0.85761885  0.23068689  0.10384905
   0.98887065  0.44662091  0.27946513
   0.34149978  0.15188751  0.66652880
   0.26002356  0.69702118  0.75240583
  -0.04109743  1.08839913  0.12904031
   0.21672799  1.04533928  0.02237226
   0.65003170  0.36426255  0.86170244
   0.91983767  0.46559566  0.61721869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811557    0.438212   -0.001180
    -0.000000    9.832060    0.219397
    -0.000000    0.000000   14.218562
   Si   O    H 
    32    64    10
Direct configuration=  1240
   0.16503783  0.17328757 -0.03219216
   0.36306675  0.09332984  0.36456289
   0.13019697  0.40238255  0.11713068
   0.37330465  0.34515065  0.24635152
   0.10360911  0.14954668  0.48075488
   0.42478201  0.15241434  0.85175704
   0.11769619  0.40296167  0.62433183
   0.35749499  0.40099802  0.75413848
   0.10796083  0.67045960  0.00558937
   0.38614257  0.58895635  0.35603584
   0.05419352  0.89338846  0.15116924
   0.33262767  0.84747215  0.24301267
   0.16409056  0.66334631  0.49817157
   0.36121744  0.64897331  0.88110721
   0.06108463  0.91086955  0.61601958
   0.33154315  1.01518495  0.69675709
   0.63543727  0.15186838  1.00641845
   0.85999033  0.13141971  0.36229709
   0.61165464  0.41930194  0.11977159
   0.86394314  0.30648305  0.18666256
   0.60433163  0.17750871  0.49893390
   0.88403628  0.12205903  0.87792996
   0.57052169  0.45888850  0.61361484
   0.75967585  0.37627391  0.79476433
   0.61180913  0.66761534  0.00138247
   0.90414145  0.59168357  0.38843073
   0.57860481  0.90874698  0.13130709
   0.81864427  0.84818785  0.27232446
   0.63225040  0.64373740  0.45665842
   0.86725893  0.62550355  0.88454970
   0.59416034  0.93638488  0.63795505
   0.82613883  0.86942424  0.76524241
   0.05538036  0.05998903  0.14909590
   0.34290587  0.19082843  0.27286844
   0.12435445  0.29739984  0.03061396
   0.33092815  0.43822081  0.34023799
   0.52925008  0.36669425  0.21261151
   0.27560206  0.41980752  0.16025386
   0.26052364  0.10430648  0.45178388
   0.01664000  0.17935737  0.37787714
   0.01041661  0.04446413  0.54931754
   0.46826004  0.27550256  0.77670481
   0.12775491  0.27854872  0.54941002
   0.31369432  0.49790605  0.84560652
   0.43350865  0.48271720  0.67114932
   0.21021706  0.34762390  0.71617736
   0.31240933  0.22209906 -0.07704712
   0.03836269  0.14822790  0.90045634
   0.06231153  0.54018987  0.07216807
   0.36658965  0.68524833  0.25998890
   0.09073120  0.82076269  0.05435121
   0.38034769  0.93313121  0.33219331
   0.42044426  0.88244693  0.15444483
   0.16728260  0.85299612  0.22723253
   0.31320466  0.66886015  0.45050374
   0.03976310  0.66240888  0.42278580
   0.16945069  0.53582616  0.57368825
   0.29338864  0.75233707  0.80331790
   0.14327564  0.79603902  0.55818618
   0.37347573  1.01005719  0.80782754
   0.43445476  0.91206149  0.64210193
   0.17586866  0.97846144  0.67654185
   0.27335504  0.68356906 -0.02013916
   0.01781705  0.68795726  0.91021169
   0.59342101  0.06917897  0.09816357
   0.81188857  0.21757735  0.27491515
   0.61143360  0.31603434  0.03156019
   0.94717278  0.43947783  0.34211011
   0.01723253  0.36639458  0.19151749
   0.76438901  0.44293872  0.16075077
   0.76504435  0.16215108  0.45209672
   0.51497905  0.12520182  0.41383437
   0.60821680  0.09634278  0.59887779
   0.84590894  0.23106451  0.79804936
   0.57078007  0.33340512  0.53788685
   0.88396604  0.47689687  0.83199019
   0.96177931  0.41642471  0.66202004
   0.68652845  0.43416275  0.69495926
   0.79560636  0.13556739  0.97956146
   0.55785426  0.12211406  0.91623076
   0.55758585  0.56744863  0.08090126
   0.83117315  0.69923819  0.32002435
   0.61472015  0.82575176  0.04252082
   0.83364330  0.97044363  0.34732648
   0.89634769  0.83793724  0.16832521
   0.65715602  0.88470307  0.22694951
   0.79117500  0.56454261  0.46721675
   0.54289320  0.57802643  0.37987190
   0.57337968  0.60795258  0.55904120
   0.78580511  0.72109524  0.80780189
   0.63626559  0.80417950  0.42494976
   0.88582675  0.97227288  0.83505369
   0.93386365  0.84374836  0.67688959
   0.68752693  0.93859852  0.73624595
   0.77336710  0.62993919  0.97988404
   0.52829166  0.65145216  0.90100033
   0.65810048  0.81972824  0.58554032
   0.69893859  0.85888218  0.44196757
   0.86171367  0.22731887  0.09725725
   0.99331729  0.44234217  0.28406467
   0.34559827  0.15533314  0.66297587
   0.26316173  0.70245954  0.74893910
  -0.04136225  1.08483056  0.12917410
   0.21167053  1.05314977  0.02660071
   0.64704155  0.36862625  0.85987577
   0.91304147  0.47436711  0.60907808
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813478    0.440988    0.001036
    -0.000000    9.830977    0.219477
    -0.000000    0.000000   14.216729
   Si   O    H 
    32    64    10
Direct configuration=  1241
   0.16460930  0.17384449 -0.03071989
   0.36459514  0.09425067  0.36479484
   0.13070270  0.40267143  0.11693520
   0.37513152  0.34575675  0.24668563
   0.10244950  0.14892666  0.48073511
   0.42530300  0.15321736  0.85172291
   0.11884649  0.40275453  0.62432054
   0.35756242  0.40136082  0.75360668
   0.10730286  0.66982756  0.00635491
   0.38633855  0.58942984  0.35671982
   0.05384392  0.89463184  0.15114685
   0.33306763  0.84714913  0.24243651
   0.16414443  0.66197084  0.49738151
   0.36463317  0.64870616  0.88057815
   0.06070543  0.91079912  0.61643670
   0.33121443  1.01633677  0.69706165
   0.63617072  0.15199963  1.00705194
   0.86041734  0.13089620  0.36295213
   0.61181830  0.41980829  0.12020841
   0.86297872  0.30615906  0.18628145
   0.60317509  0.17687866  0.49861042
   0.88298307  0.12190466  0.87779806
   0.57174253  0.46003942  0.61312744
   0.76035355  0.37704196  0.79433561
   0.61101411  0.66756170  0.00171123
   0.90535732  0.59203610  0.38893348
   0.57769323  0.90950926  0.13131049
   0.81929837  0.84732556  0.27217516
   0.63253306  0.64365531  0.45603906
   0.86611009  0.62563314  0.88371876
   0.59347214  0.93675060  0.63844751
   0.82601225  0.86827821  0.76342920
   0.05533691  0.06153232  0.14900888
   0.34240189  0.19033959  0.27400848
   0.12440242  0.29754814  0.03018272
   0.33044166  0.43944060  0.34033802
   0.52772829  0.36884365  0.21399662
   0.27339591  0.42147983  0.16138993
   0.26094845  0.10481592  0.45241981
   0.01381310  0.18008713  0.37875714
   0.01035088  0.04442964  0.54915815
   0.46775231  0.27536505  0.77569431
   0.12913632  0.27841023  0.54996941
   0.31315291  0.49701364  0.84531853
   0.43193680  0.48028673  0.67056823
   0.21089527  0.34600984  0.71641439
   0.31199597  0.22133536 -0.07577317
   0.03797305  0.14847925  0.90199687
   0.06137325  0.54003310  0.07183988
   0.36692646  0.68295391  0.25965335
   0.08761496  0.81999400  0.05344768
   0.38053380  0.93197502  0.33295688
   0.41971116  0.88235433  0.15360400
   0.16868031  0.85161840  0.22701874
   0.31474757  0.67089212  0.45105087
   0.03911269  0.66205742  0.42265529
   0.16797047  0.53532181  0.57299946
   0.29520507  0.75345296  0.80333650
   0.14232105  0.79651232  0.55670740
   0.37460087  1.01088472  0.80752803
   0.43395201  0.91320672  0.64025426
   0.17639814  0.98079041  0.67701537
   0.27259368  0.68347533 -0.01987601
   0.01785448  0.68870668  0.91087937
   0.59383340  0.07047827  0.09765845
   0.81265332  0.21653643  0.27598919
   0.61062545  0.31864494  0.03151384
   0.94537570  0.43993170  0.34212561
   0.01639856  0.36574064  0.19105161
   0.76237245  0.44382285  0.16098508
   0.76424575  0.16084242  0.45089175
   0.51451293  0.12539367  0.41280842
   0.60832304  0.09667921  0.59847686
   0.84541667  0.22971471  0.79896106
   0.57020735  0.33358683  0.53868328
   0.88555642  0.47792072  0.83090705
   0.96049923  0.41876600  0.66154097
   0.68724570  0.43411094  0.69471681
   0.79635894  0.13696602  0.98009486
   0.55646991  0.12059836  0.91506571
   0.55713874  0.56698478  0.08109109
   0.83186093  0.69985318  0.31990140
   0.61370873  0.82591216  0.04177842
   0.83328681  0.97099945  0.34602313
   0.89516340  0.83718854  0.16831643
   0.65546896  0.88546738  0.22706519
   0.79147701  0.56544681  0.46629626
   0.54160381  0.57870834  0.37877886
   0.57482890  0.60829485  0.55826392
   0.78785696  0.72204572  0.80741194
   0.63463784  0.80167994  0.42515887
   0.88500271  0.97277786  0.83484868
   0.93456603  0.84189082  0.67725140
   0.68696127  0.93890687  0.73734740
   0.77314088  0.62974221  0.97811297
   0.52842238  0.65054863  0.90107569
   0.65660533  0.82267324  0.58064799
   0.70513871  0.86734083  0.44253442
   0.86483252  0.22427651  0.09345811
   1.00176615  0.44096952  0.28630628
   0.34578503  0.15549377  0.66004822
   0.26599978  0.70601055  0.74703798
  -0.03519483  1.08770027  0.12831903
   0.20861673  1.05940129  0.02954317
   0.64438961  0.37249428  0.85708188
   0.90748634  0.47480723  0.60913705
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814989    0.443644    0.003232
    -0.000000    9.829945    0.219102
    -0.000000    0.000000   14.214862
   Si   O    H 
    32    64    10
Direct configuration=  1242
   0.16499013  0.17377811 -0.02920929
   0.36613780  0.09486960  0.36591299
   0.13138240  0.40270973  0.11624779
   0.37633492  0.34637458  0.24716976
   0.10189622  0.14823202  0.48093697
   0.42568381  0.15403430  0.85181522
   0.11977819  0.40203657  0.62458909
   0.35734456  0.40108823  0.75279196
   0.10707151  0.66929215  0.00680488
   0.38573575  0.58971408  0.35700531
   0.05262759  0.89589377  0.15123081
   0.33348365  0.84652042  0.24195004
   0.16421148  0.66050912  0.49659539
   0.36795706  0.64838933  0.87996942
   0.06018881  0.91123259  0.61686094
   0.33088955  1.01716635  0.69721415
   0.63737165  0.15243549  1.00803249
   0.86080752  0.13035177  0.36351201
   0.61180309  0.42011236  0.12094544
   0.86190917  0.30600523  0.18551810
   0.60273265  0.17694217  0.49845680
   0.88200863  0.12175679  0.87802764
   0.57210123  0.46105144  0.61263031
   0.76102882  0.37828910  0.79366414
   0.61017332  0.66789712  0.00209847
   0.90582922  0.59138160  0.38913815
   0.57609972  0.91046946  0.13150415
   0.81899508  0.84660736  0.27196810
   0.63299756  0.64431409  0.45577249
   0.86544308  0.62529555  0.88290397
   0.59287722  0.93685587  0.63838824
   0.82644195  0.86750072  0.76148552
   0.05509229  0.06207590  0.14929061
   0.34167667  0.18951055  0.27428718
   0.12400142  0.29842377  0.03041795
   0.33057881  0.44008116  0.33997640
   0.52667073  0.37111240  0.21484100
   0.27198455  0.42271469  0.16254308
   0.26096629  0.10505926  0.45322347
   0.01177579  0.18036300  0.37980506
   0.01104420  0.04462231  0.54855371
   0.46732137  0.27551511  0.77494523
   0.13076048  0.27824832  0.55051871
   0.31261407  0.49628144  0.84526681
   0.43153249  0.47822530  0.67030574
   0.21188806  0.34550813  0.71655529
   0.31189482  0.22076276 -0.07544555
   0.03723649  0.14934094  0.90313587
   0.06018652  0.54053473  0.07135909
   0.36796984  0.68140878  0.25923599
   0.08407321  0.81972951  0.05258448
   0.38052013  0.93181801  0.33396959
   0.41867177  0.88275305  0.15226714
   0.17009949  0.85110020  0.22717680
   0.31584796  0.67242076  0.45081972
   0.03878651  0.66263325  0.42268967
   0.16637872  0.53451066  0.57228342
   0.29672891  0.75373692  0.80372638
   0.14043457  0.79722667  0.55473076
   0.37531783  1.01130531  0.80760515
   0.43391744  0.91411499  0.63857356
   0.17695309  0.98273922  0.67809261
   0.27251773  0.68176245 -0.01985261
   0.01707807  0.68932984  0.91134419
   0.59383606  0.07126984  0.09717208
   0.81316215  0.21615846  0.27643388
   0.60927251  0.32095757  0.03105092
   0.94360868  0.44087535  0.34219698
   0.01606968  0.36465518  0.19115324
   0.76169339  0.44499964  0.16130299
   0.76339609  0.15974243  0.45014754
   0.51362354  0.12498242  0.41203434
   0.60854780  0.09657677  0.59753888
   0.84436108  0.22798119  0.79931222
   0.56917114  0.33354311  0.53965610
   0.88596233  0.47835370  0.83009293
   0.95999288  0.42187141  0.66110376
   0.68736731  0.43393842  0.69459706
   0.79758219  0.13855256  0.98071846
   0.55503610  0.11813760  0.91329560
   0.55640497  0.56648246  0.08114368
   0.83194814  0.70100774  0.31987469
   0.61318565  0.82524752  0.04056200
   0.83219375  0.97108392  0.34465598
   0.89415294  0.83713315  0.16791660
   0.65521663  0.88549834  0.22817371
   0.79112418  0.56666973  0.46566959
   0.54154872  0.58005735  0.37856901
   0.57617138  0.60903330  0.55804267
   0.79042308  0.72236026  0.80711213
   0.63252437  0.80039886  0.42583576
   0.88465368  0.97295958  0.83457149
   0.93533747  0.84065089  0.67745611
   0.68566704  0.93984381  0.73803078
   0.77320149  0.62946651  0.97615973
   0.52753240  0.64940850  0.90178885
   0.65568874  0.82942619  0.57650186
   0.70934210  0.86841110  0.44215281
   0.86699893  0.22149534  0.09338453
   1.00873040  0.43969780  0.28776006
   0.34865221  0.15411133  0.65701208
   0.26674003  0.71001058  0.74948084
  -0.03684839  1.09822903  0.12302426
   0.20711822  1.06372399  0.03149333
   0.63961754  0.37724072  0.85660914
   0.90558293  0.46791149  0.61350163
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816965    0.446152    0.005255
    -0.000000    9.829175    0.218661
    -0.000000    0.000000   14.213517
   Si   O    H 
    32    64    10
Direct configuration=  1243
   0.16484335  0.17348210 -0.02779669
   0.36737029  0.09471790  0.36685933
   0.13194844  0.40292813  0.11548939
   0.37681829  0.34751727  0.24769859
   0.10114430  0.14762840  0.48131686
   0.42576390  0.15503361  0.85176352
   0.12061860  0.40059888  0.62480902
   0.35720187  0.40080983  0.75252166
   0.10779274  0.66897213  0.00731928
   0.38567413  0.58994748  0.35758830
   0.05146653  0.89676023  0.15093577
   0.33410823  0.84606732  0.24157449
   0.16474233  0.65873302  0.49609020
   0.37015382  0.64819250  0.87976663
   0.05959261  0.91134601  0.61747656
   0.33093888  1.01791173  0.69748726
   0.63857466  0.15349328  1.00879460
   0.86062578  0.12914414  0.36394284
   0.61179906  0.42031020  0.12156302
   0.86073261  0.30607137  0.18502398
   0.60256173  0.17775788  0.49820980
   0.88172973  0.12135838  0.87849224
   0.57242850  0.46191652  0.61228021
   0.76154514  0.37875154  0.79363370
   0.61039994  0.66846538  0.00235933
   0.90673971  0.59008821  0.38950963
   0.57474241  0.91180879  0.13198638
   0.81805001  0.84629217  0.27123930
   0.63384909  0.64445599  0.45594491
   0.86515442  0.62449421  0.88204348
   0.59219780  0.93737016  0.63799259
   0.82702028  0.86646527  0.75969328
   0.05427198  0.06236156  0.14933817
   0.34069923  0.18908351  0.27456680
   0.12358792  0.29976152  0.03065858
   0.33055526  0.44001612  0.33936711
   0.52655741  0.37272871  0.21516140
   0.27147144  0.42310954  0.16412437
   0.26070037  0.10555158  0.45396570
   0.01049249  0.18071982  0.38143605
   0.01213632  0.04499968  0.54754297
   0.46709258  0.27490498  0.77467446
   0.13199186  0.27830371  0.55105705
   0.31232063  0.49534130  0.84571480
   0.43135439  0.47757039  0.67035212
   0.21275158  0.34574210  0.71653249
   0.31151876  0.22008188 -0.07538869
   0.03689629  0.14980896  0.90423426
   0.05959414  0.54109262  0.07126693
   0.36903950  0.68091199  0.25950254
   0.08106081  0.81965980  0.05166337
   0.37997902  0.93159417  0.33451602
   0.41720572  0.88325001  0.15130649
   0.17118251  0.84999804  0.22784545
   0.31670410  0.67378170  0.45071169
   0.03945202  0.66330412  0.42295746
   0.16573660  0.53437090  0.57191207
   0.29782333  0.75422942  0.80436636
   0.13802455  0.79790289  0.55334029
   0.37572809  1.01177450  0.80808162
   0.43367062  0.91558251  0.63705339
   0.17748231  0.98424954  0.67930043
   0.27332121  0.68010776 -0.02010147
   0.01636417  0.68893435  0.91191738
   0.59403635  0.07204321  0.09686035
   0.81371394  0.21657431  0.27625714
   0.60727304  0.32305162  0.03094354
   0.94186875  0.44216204  0.34242219
   0.01484908  0.36321348  0.19125510
   0.76115231  0.44526799  0.16192587
   0.76249791  0.15918056  0.45025001
   0.51212826  0.12392879  0.41139525
   0.60895920  0.09621747  0.59725595
   0.84261949  0.22705750  0.79935569
   0.56768495  0.33391950  0.54050393
   0.88581918  0.47920272  0.82984485
   0.95980836  0.42420275  0.66072726
   0.68779850  0.43386109  0.69488665
   0.79899340  0.13971351  0.98059287
   0.55463207  0.11503429  0.91108235
   0.55570053  0.56650803  0.08164047
   0.83180620  0.70148897  0.31935178
   0.61250038  0.82404921  0.03952973
   0.83127104  0.97088189  0.34356257
   0.89401625  0.83725874  0.16763324
   0.65560249  0.88551006  0.22943616
   0.79029291  0.56824902  0.46545558
   0.54232402  0.58076746  0.37897054
   0.57741092  0.61002258  0.55800797
   0.79226181  0.72257571  0.80705348
   0.63072411  0.80032001  0.42613709
   0.88429629  0.97330982  0.83382142
   0.93591168  0.84029105  0.67707164
   0.68370049  0.94013330  0.73798700
   0.77314366  0.62902084  0.97460911
   0.52643919  0.64855310  0.90300798
   0.65639141  0.84021949  0.57465470
   0.70402875  0.85907953  0.44105368
   0.86904664  0.22474342  0.09917541
   1.01602039  0.43760070  0.29388790
   0.35112797  0.14996087  0.65398933
   0.26594513  0.70943665  0.74728340
  -0.03299874  1.10461436  0.11819728
   0.20602360  1.06110657  0.03332092
   0.63928969  0.38291150  0.85431093
   0.90465546  0.46318117  0.61686465
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818722    0.448695    0.007480
    -0.000000    9.828543    0.218390
    -0.000000    0.000000   14.212065
   Si   O    H 
    32    64    10
Direct configuration=  1244
   0.16506647  0.17324243 -0.02613285
   0.36852633  0.09390577  0.36766338
   0.13176811  0.40371058  0.11488814
   0.37675554  0.34788156  0.24823881
   0.10095527  0.14760496  0.48193286
   0.42604491  0.15589741  0.85229874
   0.12128688  0.39881944  0.62477061
   0.35668849  0.40111049  0.75251024
   0.10862328  0.66871700  0.00732118
   0.38571928  0.59000059  0.35785975
   0.05058690  0.89686062  0.15049771
   0.33462635  0.84592406  0.24121197
   0.16507764  0.65741272  0.49635707
   0.37210314  0.64807444  0.87994491
   0.05943806  0.91044006  0.61773944
   0.33104952  1.01870724  0.69783780
   0.63978309  0.15531214  1.00907824
   0.85996083  0.12714803  0.36429477
   0.61191384  0.42023519  0.12219746
   0.85961183  0.30614562  0.18477791
   0.60268674  0.17871272  0.49812372
   0.88152752  0.12057328  0.87894323
   0.57305444  0.46281785  0.61183569
   0.76235169  0.38002589  0.79361280
   0.61086509  0.67016631  0.00261396
   0.90725770  0.58903161  0.38970418
   0.57348631  0.91353013  0.13207901
   0.81706655  0.84654553  0.27047952
   0.63418909  0.64435089  0.45601604
   0.86488221  0.62300089  0.88152248
   0.59148227  0.93841226  0.63749462
   0.82759532  0.86571014  0.75860292
   0.05238263  0.06385114  0.14903720
   0.34008210  0.18912380  0.27498750
   0.12225699  0.30106178  0.03027348
   0.33087434  0.44046791  0.33926090
   0.52701903  0.37416991  0.21516724
   0.27196377  0.42269858  0.16535916
   0.25998017  0.10590101  0.45467832
   0.01056005  0.18119448  0.38283517
   0.01306546  0.04525577  0.54631388
   0.46751515  0.27383451  0.77422370
   0.13312375  0.27876088  0.55124237
   0.31218584  0.49475602  0.84628726
   0.43146538  0.47677251  0.67079789
   0.21287632  0.34614819  0.71686230
   0.31030157  0.21855735 -0.07501407
   0.03668678  0.15086052  0.90524763
   0.05879483  0.54096170  0.07079897
   0.36957372  0.68036449  0.26032970
   0.07815283  0.82016609  0.05113575
   0.37899089  0.93215981  0.33470213
   0.41554261  0.88275992  0.14996791
   0.17343466  0.84863280  0.22825707
   0.31803907  0.67460410  0.45074556
   0.03999823  0.66321684  0.42336942
   0.16478290  0.53383018  0.57223369
   0.29947414  0.75464837  0.80506942
   0.13577603  0.79963445  0.55225449
   0.37638669  1.01250789  0.80833871
   0.43340104  0.91703457  0.63643732
   0.17752881  0.98570422  0.68015774
   0.27384551  0.67853724 -0.02086229
   0.01549486  0.68879286  0.91273583
   0.59466762  0.07220826  0.09681999
   0.81353554  0.21844131  0.27595536
   0.60576305  0.32457565  0.03103446
   0.94031677  0.44330770  0.34316044
   0.01446316  0.36149905  0.19079980
   0.76068052  0.44471851  0.16299545
   0.76138516  0.15853522  0.45067174
   0.51093956  0.12255348  0.41089931
   0.60833539  0.09555187  0.59682967
   0.84025351  0.22668828  0.79873960
   0.56660933  0.33384590  0.54144319
   0.88563543  0.47948754  0.83001155
   0.96085313  0.42620820  0.66063729
   0.68789938  0.43395465  0.69520842
   0.80049820  0.13907637  0.98008706
   0.55423476  0.11245073  0.90954825
   0.55555168  0.56690511  0.08223576
   0.83124203  0.70214868  0.31888897
   0.61239407  0.82220600  0.03869362
   0.83003395  0.97108417  0.34214243
   0.89443678  0.83710088  0.16773586
   0.65545277  0.88585856  0.23062234
   0.78954656  0.56997044  0.46512934
   0.54329732  0.58021186  0.37925297
   0.57880352  0.61126087  0.55821925
   0.79432974  0.72292389  0.80649654
   0.62887567  0.79980773  0.42619202
   0.88418475  0.97443926  0.83290404
   0.93638059  0.84059892  0.67698742
   0.68134095  0.94062186  0.73755218
   0.77255699  0.62893719  0.97337327
   0.52574584  0.64838022  0.90397607
   0.65635356  0.84775779  0.57402125
   0.69856455  0.84896730  0.43996164
   0.86837933  0.22732486  0.10402294
   1.02002830  0.43435169  0.30157018
   0.35145828  0.14621134  0.65163148
   0.26686946  0.70943448  0.74977872
  -0.02389691  1.11114119  0.11795512
   0.20514558  1.05542113  0.03559164
   0.64120447  0.38820321  0.85274329
   0.89195411  0.46666128  0.61153207
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820702    0.451484    0.009529
    -0.000000    9.827714    0.218373
    -0.000000    0.000000   14.210300
   Si   O    H 
    32    64    10
Direct configuration=  1245
   0.16479321  0.17273398 -0.02487202
   0.36951639  0.09269765  0.36828758
   0.13127499  0.40437835  0.11439148
   0.37636550  0.34884804  0.24815243
   0.10043350  0.14780584  0.48244577
   0.42593816  0.15634898  0.85264373
   0.12106711  0.39674883  0.62478916
   0.35718568  0.40141924  0.75259968
   0.10998283  0.66958678  0.00719977
   0.38600819  0.59042473  0.35815499
   0.04960245  0.89630593  0.15041530
   0.33473833  0.84581913  0.24137160
   0.16538617  0.65671303  0.49692347
   0.37299032  0.64773328  0.87993934
   0.05994436  0.90945835  0.61785472
   0.33088369  1.01997382  0.69827758
   0.64131336  0.15754606  1.00905885
   0.85953556  0.12572674  0.36447224
   0.61169668  0.42014327  0.12279427
   0.85906510  0.30648917  0.18466907
   0.60285355  0.17926450  0.49798373
   0.88191377  0.11956813  0.87953078
   0.57402608  0.46348472  0.61135504
   0.76264904  0.38053255  0.79347097
   0.61128142  0.67112589  0.00253994
   0.90773058  0.58761441  0.38982970
   0.57254539  0.91526164  0.13245293
   0.81608503  0.84711915  0.26950676
   0.63472587  0.64421112  0.45592919
   0.86523849  0.62167705  0.88145242
   0.59067314  0.94021675  0.63720913
   0.82822703  0.86499404  0.75749673
   0.05095209  0.06548847  0.14905420
   0.33975519  0.18961156  0.27509559
   0.12118747  0.30285336  0.03057838
   0.33165621  0.43953041  0.33905420
   0.52663307  0.37514826  0.21500859
   0.27251878  0.42195452  0.16668746
   0.25941312  0.10583820  0.45511413
   0.01054462  0.18112339  0.38512289
   0.01355231  0.04553258  0.54445589
   0.46813124  0.27224571  0.77368144
   0.13473007  0.27831837  0.55175130
   0.31252188  0.49371144  0.84644459
   0.43093930  0.47622286  0.67093745
   0.21210299  0.34647301  0.71659771
   0.30928080  0.21656230 -0.07489084
   0.03670662  0.15195304  0.90659801
   0.05774957  0.54189121  0.07012719
   0.36966977  0.68043774  0.26183739
   0.07566124  0.81983576  0.05076859
   0.37819990  0.93166125  0.33520031
   0.41434694  0.88277177  0.14858354
   0.17443533  0.84750967  0.22810815
   0.31877687  0.67578812  0.45060527
   0.04097519  0.66345553  0.42393422
   0.16307602  0.53344188  0.57236896
   0.30087349  0.75472918  0.80506907
   0.13359995  0.80132069  0.55167405
   0.37744443  1.01347454  0.80873780
   0.43326247  0.91879718  0.63560761
   0.17646457  0.98682758  0.68075301
   0.27479583  0.67681377 -0.02191727
   0.01475780  0.68918101  0.91273870
   0.59454666  0.07196940  0.09740976
   0.81368910  0.22073095  0.27553663
   0.60497090  0.32458178  0.03056671
   0.93907359  0.44418079  0.34344466
   0.01416318  0.35999890  0.19037028
   0.76050058  0.44398788  0.16352507
   0.75843787  0.15777516  0.45072375
   0.51086126  0.12161627  0.41094815
   0.60789085  0.09476878  0.59590164
   0.83805584  0.22668801  0.79770541
   0.56564436  0.33434203  0.54219570
   0.88538242  0.47997644  0.82967045
   0.96223554  0.42837267  0.65995232
   0.68886853  0.43462274  0.69547775
   0.80228581  0.13742754  0.97931228
   0.55482648  0.11088931  0.90830980
   0.55542137  0.56666857  0.08265450
   0.83156763  0.70259156  0.31860767
   0.61202154  0.82100367  0.03778360
   0.82926691  0.97048492  0.34078623
   0.89456921  0.83700767  0.16855156
   0.65511545  0.88657907  0.23213612
   0.78944101  0.57159603  0.46476636
   0.54473333  0.58050791  0.37942585
   0.58103810  0.61164069  0.55855554
   0.79630136  0.72321682  0.80549918
   0.62589193  0.79870168  0.42618728
   0.88437953  0.97509688  0.83167775
   0.93712397  0.84160692  0.67662143
   0.67899227  0.94036320  0.73699891
   0.77155017  0.62884357  0.97260678
   0.52587582  0.64915206  0.90481981
   0.65975091  0.85215418  0.57532177
   0.71179422  0.85410745  0.44175492
   0.86653145  0.22487761  0.10291198
   1.02206404  0.42804228  0.31109221
   0.35468978  0.14392499  0.64811029
   0.27095357  0.70797387  0.75034116
  -0.01837921  1.11740000  0.11708147
   0.20718719  1.04937663  0.03591711
   0.64495177  0.39616123  0.85129386
   0.88587484  0.46605063  0.61136367
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822979    0.454283    0.011294
    -0.000000    9.827250    0.218744
    -0.000000    0.000000   14.208551
   Si   O    H 
    32    64    10
Direct configuration=  1246
   0.16472437  0.17150593 -0.02386400
   0.37084077  0.09086322  0.36915938
   0.13040917  0.40543179  0.11445883
   0.37537679  0.34999084  0.24823012
   0.09955805  0.14838588  0.48321472
   0.42533477  0.15690220  0.85292801
   0.12094259  0.39486346  0.62482584
   0.35714188  0.40107271  0.75270363
   0.11106384  0.66984260  0.00715011
   0.38647916  0.59127312  0.35834785
   0.04915189  0.89565710  0.15028996
   0.33532148  0.84604531  0.24185602
   0.16626236  0.65623240  0.49741851
   0.37340853  0.64711008  0.87995240
   0.06053524  0.90894871  0.61795617
   0.33070057  1.02112568  0.69830951
   0.64256516  0.15946360  1.00846100
   0.85892588  0.12410590  0.36472881
   0.61176249  0.41965929  0.12332347
   0.85913868  0.30682599  0.18470896
   0.60315604  0.17910346  0.49799955
   0.88205700  0.11868987  0.87976421
   0.57479565  0.46424648  0.61112630
   0.76303005  0.38108584  0.79323369
   0.61203113  0.67175830  0.00265236
   0.90775606  0.58633197  0.39004380
   0.57148595  0.91655919  0.13312667
   0.81447748  0.84755654  0.26835394
   0.63504549  0.64337743  0.45604749
   0.86588457  0.62008199  0.88152607
   0.59011634  0.94196649  0.63663098
   0.82841201  0.86477798  0.75673064
   0.05018768  0.06642381  0.14937286
   0.34043996  0.18978601  0.27473765
   0.12001117  0.30452553  0.03141636
   0.33296961  0.43952727  0.33864150
   0.52627466  0.37563988  0.21444901
   0.27248380  0.42057828  0.16803593
   0.25982985  0.10545944  0.45538752
   0.01050377  0.18135252  0.38752129
   0.01426349  0.04484668  0.54289027
   0.46858042  0.27113754  0.77299191
   0.13548413  0.27795949  0.55175873
   0.31316151  0.49340077  0.84655842
   0.43078412  0.47654826  0.67053628
   0.21116338  0.34718442  0.71597825
   0.30895567  0.21540244 -0.07447544
   0.03719902  0.15223763  0.90774452
   0.05807455  0.54292073  0.06944512
   0.36933098  0.68069912  0.26330373
   0.07369084  0.81992472  0.05046828
   0.37805515  0.93141865  0.33593979
   0.41321173  0.88316150  0.14760067
   0.17460978  0.84699807  0.22808423
   0.31924424  0.67623031  0.45076552
   0.04196772  0.66381664  0.42433397
   0.16150821  0.53408111  0.57248546
   0.30211876  0.75526484  0.80441220
   0.13198568  0.80244117  0.55123914
   0.37748312  1.01513858  0.80893157
   0.43235355  0.91920035  0.63501833
   0.17499643  0.98710495  0.68106016
   0.27590830  0.67474466 -0.02284362
   0.01379249  0.68834200  0.91247437
   0.59422182  0.07207403  0.09883096
   0.81298090  0.22318360  0.27487032
   0.60485097  0.32398473  0.02997709
   0.93812374  0.44488433  0.34376396
   0.01462382  0.35891046  0.19024615
   0.75962393  0.44298198  0.16404242
   0.75584063  0.15691034  0.45055914
   0.51149856  0.12077365  0.41120647
   0.60781382  0.09419984  0.59477411
   0.83671801  0.22798760  0.79655612
   0.56514452  0.33439632  0.54270132
   0.88405718  0.48007389  0.82968427
   0.96344108  0.43100084  0.65887661
   0.68969270  0.43490412  0.69501042
   0.80369033  0.13510745  0.97884402
   0.55578829  0.10941699  0.90774017
   0.55530546  0.56709609  0.08328086
   0.83153267  0.70278431  0.31842005
   0.61062014  0.82088427  0.03699709
   0.83004175  0.96950843  0.33985102
   0.89549885  0.83724048  0.16949695
   0.65582334  0.88734864  0.23331634
   0.78900578  0.57251081  0.46446391
   0.54542436  0.58011022  0.37971038
   0.58348873  0.61157192  0.55911851
   0.79798643  0.72409925  0.80440967
   0.62420700  0.79844076  0.42604232
   0.88350791  0.97464250  0.83084491
   0.93784324  0.84323321  0.67552259
   0.67583720  0.94054278  0.73584000
   0.76912758  0.62954606  0.97170672
   0.52684031  0.65008469  0.90573501
   0.66282606  0.85405896  0.57670050
   0.71377921  0.85252076  0.44170589
   0.86397961  0.22021826  0.10097120
   1.02757815  0.42082353  0.31533881
   0.35688705  0.14557440  0.64451519
   0.27329102  0.70668847  0.75063360
  -0.01894308  1.12904033  0.11352463
   0.21136944  1.04677474  0.03499687
   0.64801530  0.40212426  0.85283776
   0.89056558  0.46010639  0.61785185
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825317    0.457347    0.012808
    -0.000000    9.826940    0.219000
    -0.000000    0.000000   14.206945
   Si   O    H 
    32    64    10
Direct configuration=  1247
   0.16496143  0.17038340 -0.02295177
   0.37130929  0.08943233  0.37033467
   0.12984447  0.40630633  0.11438742
   0.37394962  0.35043339  0.24825118
   0.09911293  0.14937164  0.48356793
   0.42443872  0.15732883  0.85316564
   0.12044033  0.39354658  0.62520903
   0.35729371  0.40048576  0.75300288
   0.11171483  0.67023610  0.00695435
   0.38695406  0.59207106  0.35905654
   0.04886148  0.89498376  0.15017129
   0.33569670  0.84575720  0.24271467
   0.16740674  0.65677021  0.49791425
   0.37311162  0.64673298  0.87971198
   0.06103366  0.90829683  0.61845338
   0.33083505  1.02232829  0.69818383
   0.64306773  0.16146132  1.00758451
   0.85849405  0.12270497  0.36503706
   0.61143000  0.41977322  0.12335942
   0.85961009  0.30686554  0.18451857
   0.60390706  0.17908938  0.49808764
   0.88249521  0.11810096  0.87992591
   0.57541537  0.46467136  0.61110662
   0.76361255  0.38135857  0.79296937
   0.61347030  0.67251210  0.00267674
   0.90785509  0.58502901  0.39027501
   0.57091701  0.91816961  0.13381308
   0.81271247  0.84813241  0.26723584
   0.63606193  0.64213226  0.45625796
   0.86675674  0.61903206  0.88151094
   0.58989243  0.94394992  0.63661807
   0.82862367  0.86541923  0.75594233
   0.04882974  0.06751036  0.15001161
   0.34068571  0.19024010  0.27503484
   0.11891519  0.30644402  0.03158642
   0.33430564  0.44011643  0.33859849
   0.52686962  0.37639723  0.21338842
   0.27274672  0.41936261  0.16877856
   0.26016983  0.10499134  0.45542402
   0.01051631  0.18136762  0.38894512
   0.01494135  0.04331141  0.54227561
   0.46851748  0.27080011  0.77244712
   0.13598055  0.27684391  0.55085555
   0.31392860  0.49304112  0.84619083
   0.43061946  0.47737510  0.66972804
   0.21045532  0.34846437  0.71517733
   0.30829312  0.21447478 -0.07391871
   0.03761233  0.15247086  0.90949784
   0.05835469  0.54406679  0.06845752
   0.36871556  0.68169462  0.26476942
   0.07180837  0.82143571  0.05029585
   0.37755442  0.93138652  0.33633892
   0.41291997  0.88298976  0.14683025
   0.17383128  0.84636604  0.22739252
   0.31876002  0.67630697  0.45046817
   0.04377327  0.66366569  0.42496437
   0.15963939  0.53472338  0.57261496
   0.30291972  0.75638971  0.80425450
   0.13103000  0.80255552  0.55079563
   0.37713612  1.01603129  0.80865952
   0.43121811  0.91932135  0.63476870
   0.17359601  0.98800945  0.68171056
   0.27682336  0.67273032 -0.02380670
   0.01290464  0.68755446  0.91196733
   0.59437165  0.07241217  0.10059507
   0.81258828  0.22446674  0.27449302
   0.60519836  0.32211117  0.02962660
   0.93807205  0.44529017  0.34400896
   0.01493873  0.35771316  0.18990684
   0.75915581  0.44202978  0.16453802
   0.75350415  0.15562032  0.45081365
   0.51282560  0.11975227  0.41123717
   0.60699986  0.09368759  0.59364325
   0.83535991  0.22830170  0.79559879
   0.56525026  0.33464999  0.54311516
   0.88246500  0.47925010  0.82932271
   0.96469266  0.43336336  0.65816575
   0.69051182  0.43492555  0.69397043
   0.80429658  0.13293135  0.97876578
   0.55790090  0.10851990  0.90784116
   0.55536200  0.56783727  0.08382311
   0.83197503  0.70334409  0.31857256
   0.60913810  0.82069948  0.03644771
   0.83099023  0.96876921  0.33883507
   0.89643511  0.83735626  0.17040908
   0.65597904  0.88764403  0.23404782
   0.78839400  0.57296859  0.46440382
   0.54665583  0.57943854  0.37936062
   0.58625252  0.61160263  0.55959601
   0.79877303  0.72545576  0.80345893
   0.62366080  0.79965605  0.42600375
   0.88257053  0.97422592  0.82998726
   0.93873132  0.84542797  0.67415051
   0.67301435  0.94111205  0.73500040
   0.76689596  0.62962359  0.97119737
   0.52745535  0.65141119  0.90649299
   0.66831192  0.85097200  0.57724408
   0.70477510  0.84410108  0.44221464
   0.85975862  0.21581675  0.09759405
   1.03072647  0.41396338  0.31913135
   0.35830927  0.15080638  0.64233063
   0.27552936  0.70284318  0.74978643
  -0.01879465  1.13348413  0.11344628
   0.21239458  1.04323926  0.02982604
   0.64841185  0.40585710  0.85620109
   0.89087386  0.45566895  0.62197131
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827353    0.460338    0.013529
    -0.000000    9.826622    0.219545
    -0.000000    0.000000   14.205582
   Si   O    H 
    32    64    10
Direct configuration=  1248
   0.16602629  0.16968887 -0.02162920
   0.37108234  0.08817821  0.37094389
   0.12923694  0.40721799  0.11450724
   0.37244242  0.35097717  0.24783880
   0.09879646  0.15057374  0.48372412
   0.42324747  0.15810150  0.85334578
   0.12024277  0.39206060  0.62594123
   0.35710050  0.39932031  0.75318275
   0.11253950  0.67087587  0.00656269
   0.38755129  0.59271535  0.35944816
   0.04857489  0.89465676  0.15035367
   0.33562419  0.84502240  0.24368401
   0.16843573  0.65755108  0.49838353
   0.37223589  0.64594908  0.87935051
   0.06141895  0.90824180  0.61876966
   0.33141340  1.02400747  0.69788765
   0.64343731  0.16368250  1.00707807
   0.85786232  0.12164893  0.36516680
   0.61056261  0.42047376  0.12328482
   0.86065016  0.30727851  0.18422013
   0.60429203  0.17945036  0.49817008
   0.88243449  0.11748245  0.87995432
   0.57548051  0.46534391  0.61150339
   0.76443239  0.38134087  0.79277229
   0.61470175  0.67221995  0.00264676
   0.90815437  0.58378835  0.39039506
   0.56994388  0.91976973  0.13414048
   0.81029774  0.84879722  0.26575128
   0.63714725  0.64096790  0.45674345
   0.86816254  0.61823365  0.88162177
   0.58953304  0.94512867  0.63623549
   0.82825538  0.86597436  0.75521404
   0.04806606  0.06849491  0.15077526
   0.34178841  0.19047601  0.27542003
   0.11857616  0.30758915  0.03165363
   0.33535241  0.44002442  0.33925053
   0.52703821  0.37725442  0.21274795
   0.27312128  0.41758424  0.16881619
   0.25966787  0.10433139  0.45479446
   0.01085805  0.18026265  0.39016884
   0.01599441  0.04076108  0.54204621
   0.46734790  0.27075061  0.77163706
   0.13593010  0.27575678  0.54991691
   0.31472822  0.49298999  0.84553212
   0.43035632  0.47881664  0.66870234
   0.21008761  0.35000549  0.71497620
   0.30802898  0.21380087 -0.07402161
   0.03750459  0.15226860  0.91095254
   0.05806859  0.54522104  0.06781680
   0.36834111  0.68343524  0.26533895
   0.06985923  0.82344993  0.05050732
   0.37720148  0.93050027  0.33662095
   0.41221217  0.88316680  0.14605179
   0.17257575  0.84709293  0.22655397
   0.31742018  0.67687220  0.45069572
   0.04626237  0.66325689  0.42501028
   0.15750049  0.53478659  0.57276910
   0.30355436  0.75789558  0.80353238
   0.13023829  0.80199125  0.55056679
   0.37586118  1.01602366  0.80803809
   0.42960602  0.91972613  0.63485020
   0.17203123  0.98900125  0.68189215
   0.27818029  0.67155413 -0.02444310
   0.01146375  0.68656231  0.91107281
   0.59501283  0.07422195  0.10200800
   0.81292574  0.22456403  0.27500199
   0.60569362  0.31997644  0.02958664
   0.93866710  0.44487552  0.34360279
   0.01569412  0.35641394  0.18996840
   0.75860319  0.44127222  0.16470559
   0.75178070  0.15534103  0.45117958
   0.51431135  0.11907155  0.41171056
   0.60626327  0.09408847  0.59283709
   0.83418205  0.22898675  0.79490680
   0.56459589  0.33497097  0.54294292
   0.88087126  0.47797866  0.82931761
   0.96714294  0.43572516  0.65823997
   0.69210248  0.43432764  0.69287563
   0.80489805  0.12978732  0.97849096
   0.56078982  0.10839237  0.90818290
   0.55563088  0.56906431  0.08427719
   0.83285794  0.70291549  0.31912313
   0.60756491  0.82109090  0.03600922
   0.83257929  0.96751588  0.33839055
   0.89719579  0.83773296  0.17111411
   0.65589780  0.88830278  0.23424643
   0.78869766  0.57329479  0.46459866
   0.54747722  0.57727938  0.37881264
   0.58821560  0.61105972  0.56067416
   0.79927346  0.72615889  0.80270425
   0.62326335  0.80061103  0.42554797
   0.88141428  0.97351610  0.82941010
   0.93923021  0.84736789  0.67249226
   0.67033419  0.94079851  0.73392728
   0.76541004  0.63039181  0.97082833
   0.52891773  0.65251122  0.90714836
   0.67173505  0.84389471  0.57811675
   0.69957470  0.84215900  0.44237803
   0.85745648  0.21579615  0.09785106
   1.02488208  0.40774646  0.32446433
   0.35853457  0.15328378  0.64305812
   0.27686707  0.70033866  0.75079980
  -0.01352383  1.13074901  0.11715224
   0.21237791  1.04151415  0.02628647
   0.64670494  0.40778307  0.86099634
   0.88074331  0.45643350  0.62008008
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828759    0.463032    0.014146
    -0.000000    9.826069    0.219283
    -0.000000    0.000000   14.204338
   Si   O    H 
    32    64    10
Direct configuration=  1249
   0.16730429  0.16958218 -0.02041759
   0.37069400  0.08743616  0.37151944
   0.12881970  0.40823576  0.11475080
   0.37182974  0.35099684  0.24724133
   0.09907343  0.15168223  0.48465912
   0.42219273  0.15884824  0.85365154
   0.12017847  0.39145534  0.62624352
   0.35666872  0.39878456  0.75333948
   0.11338542  0.67210511  0.00574714
   0.38759851  0.59295884  0.36003845
   0.04849006  0.89472018  0.15039089
   0.33527875  0.84486714  0.24493633
   0.16909758  0.65864927  0.49910610
   0.37030660  0.64468187  0.87903648
   0.06209161  0.90852399  0.61908776
   0.33209756  1.02577370  0.69728365
   0.64378631  0.16519083  1.00626468
   0.85722838  0.12142047  0.36540806
   0.61009208  0.42100839  0.12293254
   0.86194898  0.30751813  0.18358514
   0.60450028  0.17998213  0.49836421
   0.88273461  0.11700630  0.87979731
   0.57478834  0.46554944  0.61189314
   0.76501717  0.38196099  0.79211903
   0.61571130  0.67167043  0.00229847
   0.90855983  0.58326241  0.39050550
   0.56902282  0.92065229  0.13468803
   0.80773534  0.84927504  0.26408412
   0.63812677  0.64020228  0.45721012
   0.86917434  0.61794181  0.88145725
   0.58913835  0.94588566  0.63584979
   0.82688432  0.86674605  0.75439973
   0.04803959  0.06777874  0.15178489
   0.34348593  0.19047299  0.27583636
   0.11842847  0.30868522  0.03135700
   0.33669300  0.44025110  0.34065326
   0.52644844  0.37720708  0.21192585
   0.27366593  0.41569225  0.16854712
   0.25887754  0.10359053  0.45352264
   0.01011942  0.17947015  0.39070398
   0.01679204  0.03854441  0.54156007
   0.46555599  0.27032647  0.77093127
   0.13568355  0.27470296  0.54886461
   0.31501966  0.49169836  0.84476929
   0.43005347  0.48099745  0.66788295
   0.21061014  0.35116782  0.71508476
   0.30805060  0.21326093 -0.07412227
   0.03655525  0.15236440  0.91204010
   0.05858468  0.54685179  0.06781496
   0.36766622  0.68460289  0.26555117
   0.06821737  0.82565535  0.04985673
   0.37583014  0.93004183  0.33653934
   0.41054994  0.88369083  0.14622751
   0.17105003  0.84835482  0.22567202
   0.31647364  0.67708671  0.45041392
   0.04792499  0.66193282  0.42449014
   0.15628309  0.53536578  0.57273301
   0.30405702  0.75884472  0.80239953
   0.12954793  0.80165817  0.55082586
   0.37416400  1.01660884  0.80706958
   0.42843548  0.92072840  0.63490447
   0.17065649  0.99017675  0.68172166
   0.27853981  0.67055790 -0.02483506
   0.01072447  0.68626654  0.91028901
   0.59502645  0.07645538  0.10328885
   0.81350357  0.22482784  0.27553378
   0.60555109  0.31806687  0.03002649
   0.93961291  0.44493705  0.34308956
   0.01566806  0.35521053  0.19024724
   0.75805148  0.44039794  0.16509016
   0.75029175  0.15515592  0.45188072
   0.51628613  0.11938653  0.41300680
   0.60524854  0.09526403  0.59201184
   0.83325175  0.22949174  0.79463342
   0.56360567  0.33622223  0.54213704
   0.87933564  0.47773137  0.82942287
   0.96844568  0.43856611  0.65851647
   0.69427658  0.43367637  0.69187703
   0.80423102  0.12699605  0.97789139
   0.56406038  0.10893125  0.90944541
   0.55640792  0.56976710  0.08425863
   0.83419220  0.70219788  0.31942001
   0.60682444  0.82307028  0.03569623
   0.83518237  0.96716330  0.33835777
   0.89892989  0.83791692  0.17156292
   0.65518642  0.88775264  0.23430736
   0.78871911  0.57371881  0.46474195
   0.54800605  0.57445291  0.37870042
   0.58972623  0.61111519  0.56158231
   0.80072890  0.72710686  0.80218533
   0.62234615  0.80111431  0.42481123
   0.87981007  0.97297397  0.82917862
   0.93896738  0.84851126  0.67100675
   0.66729801  0.94007883  0.73309639
   0.76417102  0.63069668  0.97044799
   0.53073597  0.65321055  0.90767153
   0.67301299  0.83734064  0.58013792
   0.70669133  0.85029254  0.44536487
   0.85536840  0.21884893  0.10171813
   1.02184982  0.40032138  0.32667918
   0.35707100  0.15175678  0.64451603
   0.27977179  0.70338798  0.75144868
  -0.01148555  1.13052742  0.11753315
   0.21352480  1.04107360  0.02229988
   0.65018440  0.40620680  0.86676285
   0.87797725  0.45273156  0.62143593
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829782    0.466085    0.014556
    -0.000000    9.825686    0.218783
    -0.000000    0.000000   14.202712
   Si   O    H 
    32    64    10
Direct configuration=  1250
   0.16859698  0.16957229 -0.01921177
   0.36984821  0.08709397  0.37163604
   0.12761128  0.40970445  0.11507656
   0.37184204  0.35061246  0.24704588
   0.10051064  0.15271393  0.48534892
   0.42169550  0.15918944  0.85406847
   0.11967221  0.39101495  0.62643496
   0.35593654  0.39858965  0.75326587
   0.11413452  0.67332084  0.00536086
   0.38758819  0.59298650  0.36063106
   0.04831609  0.89550200  0.15029626
   0.33482938  0.84399534  0.24620666
   0.16917294  0.65988951  0.49978209
   0.36842121  0.64359719  0.87929653
   0.06281443  0.90934522  0.61910165
   0.33239258  1.02738876  0.69674342
   0.64448948  0.16637627  1.00546466
   0.85642291  0.12156825  0.36564461
   0.60948688  0.42105870  0.12247224
   0.86343388  0.30766011  0.18293883
   0.60434650  0.18094545  0.49841439
   0.88370074  0.11659164  0.87939628
   0.57394828  0.46551059  0.61226398
   0.76518568  0.38266427  0.79166055
   0.61663655  0.67110249  0.00213274
   0.90945507  0.58347227  0.39023257
   0.56809698  0.92120309  0.13490135
   0.80467506  0.84924230  0.26271808
   0.63956073  0.64021949  0.45699112
   0.86980668  0.61793690  0.88130290
   0.58922576  0.94628669  0.63552717
   0.82558329  0.86777923  0.75383733
   0.04882542  0.06675178  0.15291739
   0.34524577  0.19037978  0.27634798
   0.11881880  0.30966834  0.03084352
   0.33810135  0.44062071  0.34185731
   0.52684956  0.37714822  0.21128022
   0.27388944  0.41301801  0.16798900
   0.25779443  0.10311384  0.45254046
   0.00980458  0.17889027  0.39075288
   0.01749685  0.03662362  0.54058076
   0.46321277  0.26986480  0.77111379
   0.13533462  0.27342608  0.54854664
   0.31587621  0.49129209  0.84367060
   0.42987711  0.48358147  0.66702765
   0.21130821  0.35161298  0.71568989
   0.30707172  0.21222360 -0.07423202
   0.03623021  0.15151239  0.91267943
   0.06006273  0.54793453  0.06837309
   0.36640498  0.68504422  0.26598563
   0.06740037  0.82823933  0.04861308
   0.37493994  0.93031437  0.33634430
   0.40971146  0.88426120  0.14615561
   0.16858468  0.84921152  0.22492859
   0.31560799  0.67683391  0.44986453
   0.04916783  0.66018561  0.42401808
   0.15606323  0.53556602  0.57264531
   0.30505401  0.75935834  0.80206842
   0.12976672  0.80051717  0.55110159
   0.37152414  1.01811137  0.80632920
   0.42783060  0.92111784  0.63525841
   0.16983716  0.99040821  0.68230144
   0.27885831  0.66950287 -0.02529620
   0.00972278  0.68555643  0.90973828
   0.59522363  0.07839452  0.10394571
   0.81507245  0.22296551  0.27633737
   0.60500083  0.31614980  0.03106173
   0.93959902  0.44475726  0.34277118
   0.01522727  0.35411533  0.19085874
   0.75811811  0.43989059  0.16540337
   0.74990378  0.15527220  0.45181268
   0.51720664  0.11991548  0.41407010
   0.60399682  0.09607305  0.59083131
   0.83243086  0.22999292  0.79440243
   0.56252700  0.33685533  0.54173707
   0.87804846  0.47765348  0.82951692
   0.96866383  0.44092161  0.65873024
   0.69629292  0.43282015  0.69085380
   0.80280217  0.12446611  0.97737518
   0.56679505  0.11055661  0.91033853
   0.55719537  0.57032246  0.08469667
   0.83523298  0.70185657  0.31862147
   0.60622418  0.82585919  0.03602017
   0.83731879  0.96680250  0.33827143
   0.90039630  0.83839495  0.17207881
   0.65408383  0.88700365  0.23348076
   0.78826369  0.57389726  0.46501046
   0.54874549  0.57079649  0.37918184
   0.59104148  0.61191157  0.56302158
   0.80221738  0.72721475  0.80117604
   0.62168612  0.80135145  0.42469895
   0.87857329  0.97241584  0.82894766
   0.93775375  0.84982054  0.66971438
   0.66515309  0.93870705  0.73291656
   0.76323130  0.63139524  0.97024391
   0.53217719  0.65454920  0.90785716
   0.67357656  0.83378659  0.58416408
   0.70737035  0.85362288  0.44437055
   0.85354685  0.22220004  0.10626622
   1.02504648  0.39108228  0.32526217
   0.35315715  0.15361640  0.65111755
   0.28140698  0.70732741  0.74949425
  -0.01703858  1.13389058  0.11464312
   0.21387067  1.03734308  0.02055736
   0.65738646  0.40169617  0.86725845
   0.88708728  0.44780848  0.62508822
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830436    0.469323    0.014701
    -0.000000    9.825486    0.218815
    -0.000000    0.000000   14.200974
   Si   O    H 
    32    64    10
Direct configuration=  1251
   0.16996236  0.16949690 -0.01829940
   0.36940532  0.08644097  0.37161651
   0.12700276  0.41152124  0.11586664
   0.37256018  0.34994225  0.24672860
   0.10157667  0.15303836  0.48611339
   0.42129729  0.15962705  0.85441278
   0.11911318  0.39123789  0.62676009
   0.35427096  0.39877701  0.75273922
   0.11458618  0.67512594  0.00485876
   0.38727033  0.59347233  0.36089610
   0.04816978  0.89611359  0.15046599
   0.33472587  0.84270495  0.24727502
   0.16917171  0.66073952  0.50067950
   0.36699443  0.64309158  0.87942973
   0.06355312  0.91060983  0.61893863
   0.33230774  1.02840845  0.69612909
   0.64501885  0.16685650  1.00436021
   0.85540659  0.12205239  0.36563732
   0.60940889  0.42155105  0.12191982
   0.86458847  0.30799429  0.18265595
   0.60475651  0.18147088  0.49833404
   0.88467952  0.11567189  0.87853600
   0.57310231  0.46517339  0.61274694
   0.76523133  0.38387670  0.79147050
   0.61719305  0.67072829  0.00221296
   0.91040923  0.58451997  0.39015446
   0.56804190  0.92230278  0.13517643
   0.80232716  0.84851427  0.26176580
   0.64132509  0.64046571  0.45659405
   0.87056180  0.61883975  0.88136963
   0.58949077  0.94708734  0.63446204
   0.82477428  0.86936137  0.75356068
   0.04926943  0.06549550  0.15339011
   0.34685573  0.18982222  0.27666365
   0.11903388  0.31061255  0.02958621
   0.33933802  0.44117863  0.34305325
   0.52660775  0.37657185  0.21110382
   0.27300794  0.40927644  0.16786380
   0.25644313  0.10320705  0.45152742
   0.00945585  0.17803650  0.39087655
   0.01832059  0.03520669  0.54049186
   0.46002386  0.26891542  0.77154491
   0.13642055  0.27284056  0.54844260
   0.31705638  0.49111937  0.84258114
   0.42938999  0.48615084  0.66670186
   0.21174115  0.35216736  0.71602846
   0.30610563  0.21125513 -0.07459044
   0.03661068  0.15018820  0.91291948
   0.06235779  0.54834703  0.06817696
   0.36621379  0.68541036  0.26659883
   0.06719787  0.82972686  0.04650367
   0.37438721  0.93065952  0.33660077
   0.40859549  0.88528133  0.14613933
   0.16808451  0.85017818  0.22382668
   0.31511361  0.67622168  0.44930404
   0.04947497  0.65711313  0.42348829
   0.15633502  0.53537696  0.57235060
   0.30643756  0.75911620  0.80227095
   0.12980002  0.79885827  0.55154440
   0.36929654  1.01878641  0.80571545
   0.42734074  0.92147199  0.63580203
   0.16967775  0.99042295  0.68302759
   0.27895339  0.66769466 -0.02548025
   0.00970982  0.68385488  0.90979378
   0.59613910  0.08042686  0.10485919
   0.81620541  0.22140094  0.27664264
   0.60492505  0.31445765  0.03195128
   0.94082479  0.44324123  0.34262352
   0.01601482  0.35260441  0.19222660
   0.75862078  0.44015387  0.16562631
   0.75005256  0.15623948  0.45206664
   0.51752567  0.12064198  0.41532857
   0.60308560  0.09613572  0.59019753
   0.83190746  0.23008605  0.79446523
   0.56204445  0.33696987  0.54091245
   0.87667512  0.47754413  0.83005023
   0.96924511  0.44333767  0.65928948
   0.69805124  0.43112691  0.68961551
   0.80126052  0.12294528  0.97699473
   0.56770026  0.11237159  0.91099405
   0.55801986  0.57028761  0.08531946
   0.83585139  0.70062950  0.31711192
   0.60605989  0.82918889  0.03620839
   0.83874110  0.96595240  0.33872497
   0.90210816  0.83822707  0.17261614
   0.65172717  0.88589459  0.23257238
   0.78878115  0.57380438  0.46528351
   0.54975265  0.56753569  0.37980750
   0.59256128  0.61344422  0.56429969
   0.80359714  0.72698114  0.80049743
   0.62183872  0.80245999  0.42463370
   0.87746987  0.97216908  0.82898825
   0.93633169  0.85046537  0.66858019
   0.66389582  0.93732134  0.73289388
   0.76366725  0.63272374  0.96981580
   0.53289548  0.65512374  0.90784854
   0.67090173  0.83601696  0.58927508
   0.69985505  0.85208646  0.44256615
   0.84914219  0.21841546  0.10548345
   1.02296405  0.38725415  0.32531165
   0.34726636  0.15940473  0.65583423
   0.27941661  0.71346235  0.74235960
  -0.01528961  1.12803634  0.11591106
   0.21121058  1.03275703  0.02079371
   0.66716402  0.39507606  0.86390812
   0.88956078  0.44354847  0.62610552
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831115    0.473023    0.014667
    -0.000000    9.825412    0.218791
    -0.000000    0.000000   14.198949
   Si   O    H 
    32    64    10
Direct configuration=  1252
   0.17143820  0.16910237 -0.01775207
   0.36884537  0.08620102  0.37144504
   0.12626869  0.41297101  0.11683970
   0.37358370  0.34903710  0.24638516
   0.10233697  0.15264441  0.48722075
   0.42114450  0.15934951  0.85503643
   0.11921828  0.39160517  0.62676016
   0.35274354  0.39962635  0.75215907
   0.11528236  0.67720054  0.00452703
   0.38714853  0.59350623  0.36145898
   0.04846137  0.89646938  0.15067268
   0.33494957  0.84157264  0.24818039
   0.16930242  0.66185305  0.50186422
   0.36603501  0.64268990  0.87958074
   0.06433169  0.91245341  0.61852760
   0.33234754  1.02936416  0.69566698
   0.64503138  0.16668027  1.00368435
   0.85435817  0.12257912  0.36590164
   0.60938465  0.42218537  0.12114549
   0.86560731  0.30881053  0.18259365
   0.60502408  0.18198857  0.49822845
   0.88560514  0.11524395  0.87741212
   0.57232595  0.46466473  0.61331102
   0.76538131  0.38449623  0.79104030
   0.61716293  0.67064370  0.00285778
   0.91166550  0.58625936  0.38970545
   0.56825264  0.92289229  0.13544239
   0.79961815  0.84784507  0.26114199
   0.64248592  0.64077565  0.45608875
   0.87080073  0.62007010  0.88178424
   0.59031997  0.94718545  0.63355899
   0.82315849  0.87105383  0.75339645
   0.04975816  0.06357011  0.15458423
   0.34884557  0.18953228  0.27673446
   0.11923216  0.31109638  0.02864131
   0.33947511  0.44205489  0.34385983
   0.52635466  0.37577739  0.21125540
   0.27220678  0.40561702  0.16778357
   0.25543216  0.10277302  0.45077877
   0.00926981  0.17622064  0.39109557
   0.01889644  0.03407353  0.54084450
   0.45644432  0.26815590  0.77233073
   0.13752477  0.27280955  0.54845718
   0.31806616  0.49105411  0.84185382
   0.42725425  0.48813521  0.66646630
   0.21170616  0.35287245  0.71578356
   0.30460135  0.21027169 -0.07488529
   0.03719459  0.14859851  0.91378699
   0.06486986  0.54895171  0.06776116
   0.36569859  0.68522839  0.26754860
   0.06698209  0.83048733  0.04472313
   0.37444237  0.93051448  0.33696783
   0.40780583  0.88667304  0.14622230
   0.16748065  0.85033572  0.22292770
   0.31489472  0.67496262  0.44856736
   0.04921423  0.65259866  0.42322007
   0.15705566  0.53488005  0.57174117
   0.30810217  0.75820589  0.80219290
   0.13008564  0.79678229  0.55217697
   0.36825818  1.02065943  0.80508084
   0.42711994  0.92153539  0.63643289
   0.16938496  0.98990373  0.68392084
   0.27954109  0.66597859 -0.02551294
   0.01034783  0.68266441  0.91044467
   0.59742136  0.08216681  0.10564826
   0.81741865  0.21996539  0.27676639
   0.60440806  0.31351805  0.03339531
   0.94198894  0.44234260  0.34222814
   0.01777455  0.35090705  0.19339151
   0.75925676  0.44025413  0.16573033
   0.75089925  0.15772615  0.45197117
   0.51710321  0.12157821  0.41599157
   0.60215839  0.09583720  0.59076124
   0.83151076  0.22971805  0.79460682
   0.56214197  0.33590267  0.54038698
   0.87593635  0.47730098  0.83064141
   0.97065152  0.44588180  0.66100229
   0.69897522  0.43042642  0.68825670
   0.79966336  0.12138028  0.97645673
   0.56800572  0.11403729  0.91151933
   0.55904150  0.57073060  0.08550401
   0.83659567  0.69967767  0.31556701
   0.60657802  0.83280831  0.03680197
   0.83973828  0.96481230  0.33897560
   0.90367473  0.83717563  0.17271860
   0.64951519  0.88392502  0.23220483
   0.78914159  0.57341167  0.46639795
   0.55132504  0.56445827  0.38028776
   0.59400016  0.61448543  0.56546621
   0.80497421  0.72542188  0.79945771
   0.62198952  0.80355391  0.42549823
   0.87638907  0.97177353  0.82898821
   0.93527867  0.84995760  0.66765041
   0.66417581  0.93655922  0.73340088
   0.76473214  0.63296262  0.96908707
   0.53226797  0.65571041  0.90744223
   0.66375167  0.84054330  0.58884319
   0.69228797  0.85291886  0.44204342
   0.84901426  0.21496814  0.10240172
   1.01756142  0.39067098  0.32849588
   0.34288962  0.16697618  0.65995786
   0.27688541  0.72309523  0.74144450
  -0.01363869  1.11818294  0.12149794
   0.20966527  1.03151684  0.02176942
   0.67305300  0.38850711  0.86352933
   0.88300397  0.43835848  0.62149233
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832093    0.477220    0.014640
    -0.000000    9.825995    0.218428
    -0.000000    0.000000   14.197194
   Si   O    H 
    32    64    10
Direct configuration=  1253
   0.17274531  0.16877095 -0.01722781
   0.36843130  0.08624422  0.37112562
   0.12541433  0.41400129  0.11771802
   0.37443557  0.34810509  0.24604432
   0.10286893  0.15180538  0.48799022
   0.42102269  0.15845670  0.85588390
   0.11982569  0.39228373  0.62602693
   0.35162385  0.40108371  0.75186975
   0.11619798  0.67899587  0.00446255
   0.38706638  0.59357383  0.36218591
   0.04886704  0.89674346  0.15073412
   0.33428173  0.84123899  0.24903873
   0.16871289  0.66261735  0.50342652
   0.36557425  0.64277578  0.87947614
   0.06549891  0.91447868  0.61830438
   0.33199332  1.03034826  0.69526113
   0.64513861  0.16606458  1.00292483
   0.85298772  0.12339733  0.36570773
   0.60911968  0.42285138  0.12065784
   0.86648047  0.30963777  0.18270567
   0.60524515  0.18280325  0.49802482
   0.88661057  0.11503931  0.87626845
   0.57163591  0.46434037  0.61355482
   0.76451658  0.38470558  0.79053512
   0.61659806  0.67143872  0.00348371
   0.91259231  0.58823171  0.38938743
   0.56816968  0.92295550  0.13527490
   0.79801418  0.84679747  0.26047927
   0.64315097  0.64113662  0.45514486
   0.87021625  0.62166581  0.88213638
   0.59098110  0.94744507  0.63274154
   0.82106610  0.87217324  0.75350746
   0.05041818  0.06108238  0.15620469
   0.34994844  0.18924276  0.27705044
   0.11970649  0.31131421  0.02798492
   0.34001539  0.44290924  0.34465732
   0.52568597  0.37521683  0.21094467
   0.27068564  0.40283139  0.16736235
   0.25483494  0.10276395  0.44998705
   0.00981298  0.17438029  0.39122950
   0.01873759  0.03396867  0.54118231
   0.45286478  0.26775076  0.77287568
   0.13890451  0.27304836  0.54891096
   0.31930090  0.49061168  0.84129165
   0.42474862  0.48945712  0.66683479
   0.21227174  0.35341724  0.71621673
   0.30419151  0.20856070 -0.07480551
   0.03870765  0.14705298  0.91438831
   0.06760628  0.54885413  0.06779948
   0.36447404  0.68489823  0.26885529
   0.06710650  0.83139275  0.04326961
   0.37493844  0.93000474  0.33727088
   0.40684232  0.88898200  0.14665833
   0.16693924  0.85050128  0.22246239
   0.31524269  0.67384906  0.44709187
   0.04873448  0.64786862  0.42299215
   0.15847016  0.53432794  0.57127008
   0.30910363  0.75746571  0.80148173
   0.13098516  0.79584302  0.55274519
   0.36852385  1.02272100  0.80475277
   0.42613237  0.92197224  0.63700840
   0.16933593  0.98874044  0.68516339
   0.27928446  0.66406188 -0.02533269
   0.01173731  0.68039625  0.91138309
   0.59885987  0.08341818  0.10552764
   0.81945550  0.21880800  0.27669800
   0.60473740  0.31383804  0.03479651
   0.94271993  0.44124819  0.34205995
   0.02010620  0.34968375  0.19440202
   0.76028437  0.44084953  0.16556347
   0.75176128  0.15864602  0.45183931
   0.51696771  0.12204828  0.41668659
   0.60169491  0.09655062  0.59150921
   0.83179170  0.22887633  0.79464484
   0.56193561  0.33496317  0.54045436
   0.87620385  0.47746362  0.83123823
   0.97103388  0.44787600  0.66250232
   0.70169562  0.42954905  0.68723453
   0.79809401  0.11966609  0.97621211
   0.56812480  0.11600535  0.91219499
   0.56008268  0.57122541  0.08601235
   0.83636207  0.69875512  0.31444996
   0.60680015  0.83659688  0.03750627
   0.83991205  0.96352192  0.33873290
   0.90444084  0.83622563  0.17251324
   0.64711495  0.88268148  0.23197047
   0.79036136  0.57158603  0.46739117
   0.55326494  0.56098765  0.38056604
   0.59417210  0.61523134  0.56665259
   0.80600568  0.72381460  0.79887718
   0.62111101  0.80485666  0.42597355
   0.87531142  0.97208337  0.82876679
   0.93454183  0.84915532  0.66763296
   0.66460475  0.93623626  0.73368255
   0.76649692  0.63276118  0.96821346
   0.53071179  0.65645708  0.90675283
   0.65438057  0.84213630  0.58481615
   0.69813876  0.86385382  0.44623171
   0.84887564  0.21344209  0.10214519
   1.02404422  0.38665672  0.32879883
   0.33916179  0.17439949  0.66265394
   0.27437828  0.73152809  0.74337509
  -0.02048414  1.11562439  0.12459217
   0.20942324  1.03519512  0.02448344
   0.66709838  0.38138195  0.86761282
   0.88498635  0.43338292  0.62094864
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833346    0.481349    0.014754
    -0.000000    9.826572    0.218180
    -0.000000    0.000000   14.195653
   Si   O    H 
    32    64    10
Direct configuration=  1254
   0.17360415  0.16857878 -0.01689214
   0.36765959  0.08648057  0.37100216
   0.12447707  0.41484817  0.11901820
   0.37501548  0.34779262  0.24614109
   0.10304275  0.15060579  0.48833961
   0.42143393  0.15680651  0.85679624
   0.12018158  0.39326035  0.62532396
   0.35115677  0.40234675  0.75219082
   0.11668191  0.68125702  0.00407267
   0.38702511  0.59378646  0.36299716
   0.04921808  0.89685559  0.15074777
   0.33359028  0.84158975  0.24996966
   0.16813488  0.66325919  0.50480581
   0.36505856  0.64272753  0.87929181
   0.06653645  0.91671501  0.61818969
   0.33150026  1.03122597  0.69422671
   0.64539150  0.16490113  1.00211270
   0.85227583  0.12435870  0.36573974
   0.60956576  0.42350114  0.12006823
   0.86681656  0.30979178  0.18327673
   0.60582882  0.18429633  0.49788604
   0.88769287  0.11501068  0.87534357
   0.57106724  0.46381097  0.61377858
   0.76442784  0.38443346  0.79015613
   0.61588490  0.67207820  0.00396744
   0.91269140  0.59003213  0.38884289
   0.56824065  0.92336991  0.13465008
   0.79696371  0.84560114  0.26038946
   0.64309813  0.64150940  0.45486960
   0.86977418  0.62359288  0.88228433
   0.59094392  0.94779809  0.63153696
   0.81883902  0.87291087  0.75330991
   0.05077537  0.05864845  0.15805829
   0.35114368  0.18907126  0.27839302
   0.12093890  0.31159113  0.02738275
   0.33982233  0.44316942  0.34496381
   0.52555664  0.37375402  0.21081524
   0.26928373  0.40007908  0.16680147
   0.25397727  0.10303064  0.44940750
   0.00980829  0.17210007  0.39200070
   0.01890937  0.03322701  0.54180226
   0.44921601  0.26719770  0.77412648
   0.14001218  0.27370565  0.54897292
   0.32170252  0.49030034  0.84122948
   0.42243351  0.49015142  0.66717191
   0.21183494  0.35321496  0.71599028
   0.30432909  0.20714911 -0.07543483
   0.04079891  0.14581867  0.91476787
   0.07021657  0.54848776  0.06772286
   0.36311964  0.68491271  0.26960678
   0.06815550  0.83235064  0.04219855
   0.37514068  0.92875679  0.33726816
   0.40652698  0.89106886  0.14764782
   0.16697177  0.85022676  0.22227034
   0.31530119  0.67280098  0.44568309
   0.04927222  0.64376268  0.42286598
   0.16073198  0.53334207  0.57069788
   0.30980834  0.75616436  0.80125409
   0.13169553  0.79502486  0.55380280
   0.36858143  1.02464329  0.80528237
   0.42583116  0.92108369  0.63811430
   0.16894166  0.98723401  0.68632492
   0.27873922  0.66212678 -0.02505007
   0.01388408  0.67781903  0.91253358
   0.59921098  0.08502191  0.10498876
   0.82166649  0.21871772  0.27628272
   0.60608198  0.31397485  0.03660618
   0.94284685  0.44063673  0.34167578
   0.02266968  0.34914393  0.19544120
   0.76095113  0.44032349  0.16573647
   0.75287258  0.15946487  0.45183039
   0.51579830  0.12177123  0.41807311
   0.60053309  0.09731048  0.59231240
   0.83190551  0.22773843  0.79486362
   0.56114587  0.33429817  0.53991279
   0.87660327  0.47818666  0.83221701
   0.97088614  0.44995812  0.66349883
   0.70376261  0.42888117  0.68638128
   0.79681279  0.11861841  0.97603735
   0.56796399  0.11738371  0.91265680
   0.56179208  0.57114732  0.08601633
   0.83543722  0.69787963  0.31330453
   0.60728802  0.83957286  0.03799905
   0.84002148  0.96265839  0.33872049
   0.90468972  0.83544278  0.17236080
   0.64394576  0.88063718  0.23184879
   0.79235638  0.56926975  0.46851859
   0.55442052  0.55830302  0.38077526
   0.59431796  0.61634616  0.56811786
   0.80630450  0.72179776  0.79908689
   0.62154074  0.80642104  0.42683440
   0.87487781  0.97149305  0.82897223
   0.93354720  0.84899777  0.66765688
   0.66514439  0.93576389  0.73441320
   0.76795039  0.63236294  0.96767563
   0.52872472  0.65729956  0.90618853
   0.65143064  0.84018417  0.57768634
   0.69420110  0.86701431  0.44794020
   0.84944046  0.21325033  0.10238339
   1.03003675  0.38363885  0.32986280
   0.33332646  0.17302600  0.66424605
   0.27293915  0.73680026  0.74361723
  -0.02999617  1.11665568  0.12688915
   0.21031142  1.03430337  0.02980532
   0.65515364  0.37802896  0.87199962
   0.89707310  0.42970108  0.62561620
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834582    0.485931    0.015109
    -0.000000    9.827309    0.218729
    -0.000000    0.000000   14.194286
   Si   O    H 
    32    64    10
Direct configuration=  1255
   0.17463230  0.16885708 -0.01687093
   0.36756424  0.08643061  0.37093094
   0.12428449  0.41547177  0.11994271
   0.37562449  0.34766411  0.24630879
   0.10307079  0.14946587  0.48789407
   0.42253465  0.15463267  0.85766444
   0.12044973  0.39362292  0.62426080
   0.35096970  0.40362617  0.75263593
   0.11786683  0.68331174  0.00385741
   0.38686019  0.59460509  0.36352186
   0.04948606  0.89719633  0.15092451
   0.33283544  0.84237260  0.25097780
   0.16747167  0.66387083  0.50550728
   0.36438890  0.64283360  0.87882333
   0.06688169  0.91871377  0.61787307
   0.33082663  1.03199953  0.69319571
   0.64553293  0.16391471  1.00143755
   0.85126229  0.12579941  0.36522540
   0.60966010  0.42419293  0.11992152
   0.86708206  0.30929021  0.18377331
   0.60628854  0.18537670  0.49772974
   0.88901099  0.11472851  0.87453472
   0.57056345  0.46359233  0.61436032
   0.76442331  0.38414200  0.78977572
   0.61521143  0.67247572  0.00451217
   0.91172369  0.59186313  0.38768920
   0.56864027  0.92387388  0.13373478
   0.79682631  0.84420796  0.26025824
   0.64279549  0.64273030  0.45489377
   0.86852855  0.62470090  0.88235351
   0.59069001  0.94805843  0.63083327
   0.81715942  0.87333274  0.75267541
   0.05003708  0.05750948  0.15906364
   0.35205186  0.18933895  0.28014428
   0.12193520  0.31196755  0.02704278
   0.33985866  0.44382073  0.34499566
   0.52605231  0.37180070  0.21092758
   0.26827266  0.39743172  0.16598660
   0.25307105  0.10426561  0.44895854
   0.00958248  0.17025685  0.39288752
   0.01864626  0.03323479  0.54313812
   0.44584190  0.26671564  0.77506119
   0.14097434  0.27460828  0.54882367
   0.32472904  0.49087598  0.84120054
   0.42096604  0.49022552  0.66760353
   0.21159200  0.35263011  0.71563665
   0.30412592  0.20642037 -0.07577262
   0.04271308  0.14447292  0.91562599
   0.07260586  0.54861777  0.06835025
   0.36181624  0.68457902  0.27038591
   0.06941172  0.83204727  0.04161016
   0.37554039  0.92817029  0.33706713
   0.40650376  0.89205510  0.14966192
   0.16755001  0.84987145  0.22255664
   0.31501096  0.67183780  0.44480791
   0.05046659  0.63976417  0.42276007
   0.16329046  0.53151645  0.57041772
   0.31039096  0.75504825  0.80184115
   0.13131402  0.79458300  0.55515039
   0.36776577  1.02640671  0.80553008
   0.42529781  0.92019391  0.63859941
   0.16838362  0.98554136  0.68741581
   0.27832308  0.66080956 -0.02497620
   0.01588589  0.67609492  0.91391732
   0.59983650  0.08570764  0.10469014
   0.82328681  0.21943846  0.27541618
   0.60694522  0.31404300  0.03813443
   0.94375099  0.43969712  0.34131772
   0.02606611  0.34815115  0.19656211
   0.76202338  0.43933341  0.16538106
   0.75381736  0.16056222  0.45154385
   0.51421243  0.12145338  0.41900107
   0.59911762  0.09870431  0.59260285
   0.83282067  0.22694445  0.79495701
   0.56011474  0.33438184  0.53887295
   0.87699065  0.47851835  0.83282426
   0.97086745  0.45175311  0.66437065
   0.70600404  0.42802510  0.68582760
   0.79643928  0.11794725  0.97622358
   0.56695621  0.11929840  0.91258326
   0.56324051  0.57100816  0.08582570
   0.83512741  0.69736827  0.31180364
   0.60774278  0.84216245  0.03831626
   0.84002383  0.96126828  0.33861489
   0.90468699  0.83500642  0.17192375
   0.64066973  0.87837033  0.23161643
   0.79524521  0.56726972  0.46930212
   0.55532179  0.55646486  0.38114119
   0.59468785  0.61740125  0.56958767
   0.80628781  0.72002198  0.79916035
   0.62242157  0.80771683  0.42746478
   0.87482722  0.97087753  0.82944161
   0.93152705  0.84936315  0.66789651
   0.66608045  0.93546093  0.73517805
   0.76942654  0.63042352  0.96742964
   0.52645911  0.65859609  0.90573267
   0.65115120  0.84141457  0.57048984
   0.68575262  0.86859479  0.44799097
   0.85243643  0.21301116  0.10359763
   1.02877683  0.38668103  0.33000273
   0.32745789  0.16976859  0.66472509
   0.26496759  0.73711607  0.73779342
  -0.03058752  1.10934753  0.13269790
   0.21399495  1.03866151  0.03774858
   0.64797776  0.37482260  0.87272681
   0.90699257  0.42636768  0.62541329
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835635    0.490222    0.015062
    -0.000000    9.827853    0.219172
    -0.000000    0.000000   14.192925
   Si   O    H 
    32    64    10
Direct configuration=  1256
   0.17574619  0.16890008 -0.01725924
   0.36722074  0.08664111  0.37144541
   0.12359546  0.41531992  0.12009175
   0.37592221  0.34773091  0.24652053
   0.10325865  0.14815744  0.48750500
   0.42429112  0.15189295  0.85828216
   0.12067776  0.39520386  0.62301846
   0.35074950  0.40423784  0.75330364
   0.11865878  0.68437727  0.00364605
   0.38660688  0.59510100  0.36353311
   0.05024452  0.89740351  0.15112478
   0.33167726  0.84297292  0.25108107
   0.16671816  0.66412265  0.50566207
   0.36417853  0.64262088  0.87863662
   0.06716005  0.92005883  0.61817650
   0.32983852  1.03292151  0.69240856
   0.64588977  0.16287379  1.00107810
   0.85052749  0.12690401  0.36426635
   0.60944119  0.42498680  0.12003798
   0.86778084  0.30850856  0.18440304
   0.60648463  0.18697196  0.49737006
   0.88999770  0.11479810  0.87397901
   0.57017883  0.46319773  0.61548352
   0.76377583  0.38358761  0.78970748
   0.61486070  0.67310350  0.00488847
   0.91075810  0.59322795  0.38667152
   0.56868485  0.92446190  0.13288629
   0.79662689  0.84317503  0.26015054
   0.64243420  0.64306827  0.45529515
   0.86810289  0.62577808  0.88196621
   0.59046187  0.94831510  0.63024381
   0.81556456  0.87327835  0.75200161
   0.04930760  0.05714278  0.15955660
   0.35336281  0.18899701  0.28096610
   0.12248936  0.31210800  0.02694241
   0.34038670  0.44481103  0.34438034
   0.52637694  0.37037442  0.21072314
   0.26661878  0.39524336  0.16549888
   0.25143819  0.10467805  0.44928201
   0.00918286  0.16882997  0.39354579
   0.01858399  0.03425044  0.54417114
   0.44299851  0.26724499  0.77606720
   0.14151311  0.27561215  0.54910178
   0.32805533  0.49211612  0.84174460
   0.41971054  0.48997037  0.66845299
   0.21096036  0.35172279  0.71508057
   0.30429288  0.20734167 -0.07582206
   0.04474619  0.14236466  0.91663419
   0.07420163  0.54961546  0.06869013
   0.36173925  0.68324086  0.27084398
   0.07135632  0.83167543  0.04167670
   0.37541740  0.92829559  0.33717423
   0.40639392  0.89228198  0.15152048
   0.16807482  0.84979501  0.22312006
   0.31399620  0.67122237  0.44442230
   0.05310112  0.63689703  0.42324421
   0.16662080  0.53019798  0.56988787
   0.31039606  0.75364886  0.80174703
   0.13095289  0.79505031  0.55703236
   0.36784069  1.02791186  0.80581758
   0.42452043  0.91907257  0.63973543
   0.16894009  0.98430034  0.68795468
   0.27693554  0.65952646 -0.02493673
   0.01724757  0.67407474  0.91523206
   0.60042525  0.08574562  0.10392643
   0.82411959  0.22006823  0.27444802
   0.60793303  0.31420991  0.03949387
   0.94482465  0.43931060  0.34096698
   0.02883142  0.34559616  0.19756273
   0.76386542  0.43812633  0.16546842
   0.75501987  0.16161134  0.45143976
   0.51248175  0.12199665  0.41979558
   0.59844667  0.09997289  0.59278094
   0.83503602  0.22661041  0.79519416
   0.55861925  0.33523853  0.53767469
   0.87722488  0.47905889  0.83382909
   0.97164347  0.45401382  0.66563399
   0.70732478  0.42708064  0.68534215
   0.79614788  0.11715406  0.97608764
   0.56567778  0.12090479  0.91291843
   0.56386308  0.57104188  0.08582488
   0.83462227  0.69692113  0.31066669
   0.60850781  0.84321506  0.03829833
   0.84062739  0.96006201  0.33853164
   0.90404391  0.83412269  0.17131816
   0.63830182  0.87630202  0.23147326
   0.79752547  0.56537774  0.46970979
   0.55622820  0.55558048  0.38146798
   0.59511346  0.61830601  0.57075965
   0.80638011  0.71879501  0.79902091
   0.62287596  0.80780107  0.42767501
   0.87467845  0.96989339  0.83028794
   0.92983570  0.84971921  0.66836555
   0.66769998  0.93492021  0.73565158
   0.77020588  0.62829719  0.96762098
   0.52391427  0.65873004  0.90591702
   0.65179096  0.84446340  0.56949192
   0.68390850  0.87668753  0.44921013
   0.85620712  0.21489131  0.10996381
   1.02857892  0.39260385  0.33049263
   0.32133332  0.16698239  0.66210958
   0.26111703  0.73701064  0.73706776
  -0.02834093  1.10456315  0.13685830
   0.21719030  1.04977278  0.04545730
   0.64776682  0.37388053  0.86591325
   0.89815336  0.41666512  0.61559558
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836295    0.493804    0.015436
    -0.000000    9.828784    0.219107
    -0.000000    0.000000   14.191468
   Si   O    H 
    32    64    10
Direct configuration=  1257
   0.17693152  0.16883009 -0.01765696
   0.36716379  0.08621945  0.37188524
   0.12288114  0.41504826  0.12002267
   0.37651034  0.34830322  0.24711998
   0.10286034  0.14641465  0.48736803
   0.42593310  0.14908357  0.85875885
   0.12046502  0.39695954  0.62199849
   0.35088729  0.40390711  0.75401219
   0.11884835  0.68494675  0.00360419
   0.38718062  0.59477714  0.36334638
   0.05056356  0.89735464  0.15109601
   0.33073507  0.84355910  0.25075778
   0.16661598  0.66372491  0.50551538
   0.36413702  0.64249533  0.87869463
   0.06707559  0.92111627  0.61818471
   0.32880548  1.03402186  0.69140698
   0.64599462  0.16165788  1.00116235
   0.85038973  0.12702174  0.36332550
   0.60937986  0.42571960  0.12051869
   0.86894390  0.30764976  0.18521410
   0.60593117  0.18862558  0.49707324
   0.89072565  0.11516752  0.87367015
   0.56916210  0.46300170  0.61648814
   0.76298085  0.38299100  0.78939438
   0.61429955  0.67394387  0.00474107
   0.90981281  0.59377523  0.38530224
   0.56794945  0.92487729  0.13183232
   0.79626252  0.84225834  0.26001299
   0.64232792  0.64315681  0.45563089
   0.86809881  0.62674933  0.88134143
   0.59004361  0.94727118  0.62968665
   0.81449520  0.87302985  0.75149853
   0.04915992  0.05686564  0.15998150
   0.35429754  0.18897901  0.28189921
   0.12234956  0.31244364  0.02667444
   0.34043144  0.44513873  0.34371312
   0.52657621  0.36898750  0.21079532
   0.26569954  0.39306153  0.16484632
   0.25007761  0.10585409  0.44985085
   0.00883268  0.16803084  0.39392080
   0.01857603  0.03498806  0.54520966
   0.44055649  0.26761785  0.77674109
   0.14175879  0.27644469  0.54871725
   0.33062650  0.49337401  0.84295544
   0.41877638  0.48897956  0.66904128
   0.21037874  0.35140061  0.71515348
   0.30446972  0.20878504 -0.07603102
   0.04651475  0.13953553  0.91766107
   0.07591681  0.55229499  0.06938874
   0.36200169  0.68198709  0.27131338
   0.07313216  0.83170601  0.04180417
   0.37459159  0.92975199  0.33728687
   0.40600909  0.89232661  0.15311795
   0.16922628  0.85029784  0.22386801
   0.31270672  0.67016528  0.44460376
   0.05568913  0.63384714  0.42469902
   0.17030247  0.52861850  0.56935544
   0.31056104  0.75289841  0.80136873
   0.12997567  0.79620443  0.55908049
   0.36778705  1.02818415  0.80615980
   0.42338076  0.91885902  0.64014086
   0.16914165  0.98231376  0.68885557
   0.27625986  0.65975846 -0.02499145
   0.01793538  0.67244872  0.91634748
   0.60156045  0.08539364  0.10337092
   0.82549784  0.21977598  0.27388611
   0.60957113  0.31424057  0.04057867
   0.94445812  0.43976976  0.34156940
   0.03121551  0.34283614  0.19855745
   0.76516936  0.43643813  0.16509098
   0.75597912  0.16198786  0.45134806
   0.51142599  0.12306472  0.42053085
   0.59785892  0.10075522  0.59319972
   0.83658001  0.22689357  0.79522844
   0.55807055  0.33649565  0.53694691
   0.87780211  0.47941007  0.83425811
   0.97233195  0.45615815  0.66624949
   0.70808673  0.42698522  0.68481336
   0.79672261  0.11682126  0.97624683
   0.56340944  0.12278545  0.91265821
   0.56457256  0.57049411  0.08564906
   0.83421045  0.69578775  0.31019528
   0.60944308  0.84303424  0.03777357
   0.84044921  0.95876611  0.33835857
   0.90231920  0.83424060  0.17114686
   0.63726384  0.87469220  0.23053221
   0.79922418  0.56402061  0.46994114
   0.55680975  0.55581130  0.38201395
   0.59620912  0.61981342  0.57123772
   0.80656549  0.71815990  0.79830550
   0.62317339  0.80728573  0.42778997
   0.87534060  0.96877237  0.83103534
   0.92785637  0.85087091  0.66891378
   0.66880636  0.93494795  0.73533788
   0.77048550  0.62631290  0.96889241
   0.52184876  0.65882930  0.90607983
   0.65602098  0.84664136  0.56943416
   0.68169341  0.88327748  0.44945741
   0.86078162  0.21497886  0.11422756
   1.03184356  0.39587544  0.33175038
   0.31479489  0.16681060  0.65658323
   0.26236610  0.73828923  0.74338648
  -0.03580226  1.10949228  0.13730158
   0.21858041  1.06206097  0.05164919
   0.64741728  0.37599848  0.85780184
   0.89803671  0.41442299  0.61363335
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836862    0.497294    0.015446
    -0.000000    9.829820    0.218754
    -0.000000    0.000000   14.190617
   Si   O    H 
    32    64    10
Direct configuration=  1258
   0.17751615  0.16914694 -0.01783751
   0.36761615  0.08574735  0.37235945
   0.12156483  0.41430737  0.11946147
   0.37621275  0.34888188  0.24736927
   0.10244057  0.14509879  0.48657265
   0.42693228  0.14639452  0.85945197
   0.12021573  0.39873845  0.62111537
   0.35119466  0.40360962  0.75464901
   0.11868306  0.68576557  0.00317545
   0.38843639  0.59397817  0.36283889
   0.05001065  0.89708897  0.15078798
   0.33038194  0.84435132  0.25037167
   0.16688678  0.66348485  0.50525794
   0.36377694  0.64229624  0.87879755
   0.06662287  0.92214531  0.61839981
   0.32754591  1.03475137  0.69047548
   0.64604751  0.16092167  1.00196298
   0.85001417  0.12696546  0.36246952
   0.60990282  0.42543313  0.12067121
   0.87011425  0.30625259  0.18624293
   0.60550814  0.18972921  0.49678409
   0.89202956  0.11539046  0.87348685
   0.56821961  0.46343542  0.61744184
   0.76266531  0.38237963  0.78912220
   0.61420266  0.67462993  0.00442147
   0.90941677  0.59413108  0.38403562
   0.56661216  0.92604506  0.13060643
   0.79682815  0.84124913  0.26008798
   0.64185861  0.64396481  0.45642320
   0.86894679  0.62741946  0.88067305
   0.59001008  0.94633107  0.62948111
   0.81400739  0.87272375  0.75121378
   0.04917360  0.05700646  0.16033059
   0.35567651  0.18886472  0.28301505
   0.12218819  0.31234150  0.02656454
   0.34051820  0.44473141  0.34221766
   0.52695116  0.36834775  0.21061098
   0.26501177  0.39131931  0.16380929
   0.24905820  0.10687127  0.45110231
   0.00850554  0.16746890  0.39416516
   0.01862787  0.03632002  0.54581587
   0.43911791  0.26758400  0.77771761
   0.14217068  0.27696374  0.54881984
   0.33310436  0.49544224  0.84437338
   0.41819652  0.48807352  0.66953580
   0.20988189  0.35071731  0.71549447
   0.30464156  0.21060806 -0.07697988
   0.04707650  0.13715119  0.91839104
   0.07642795  0.55612693  0.07034941
   0.36264858  0.68131056  0.27124688
   0.07484324  0.83272390  0.04206333
   0.37322701  0.93211598  0.33725039
   0.40617751  0.89227624  0.15448699
   0.17003938  0.85080923  0.22439505
   0.31183407  0.66992464  0.44496398
   0.05812119  0.63072943  0.42580519
   0.17447483  0.52798747  0.56891513
   0.31020632  0.75285123  0.80061956
   0.12894555  0.79703932  0.56148417
   0.36801346  1.02778141  0.80603543
   0.42265443  0.91834768  0.64038356
   0.16964361  0.97995572  0.68931825
   0.27687468  0.66043468 -0.02499461
   0.01849318  0.67041149  0.91691816
   0.60269693  0.08492315  0.10267373
   0.82775859  0.21933639  0.27357080
   0.61138046  0.31376382  0.04141131
   0.94404730  0.43997051  0.34195519
   0.03254605  0.34115140  0.19887420
   0.76583100  0.43440862  0.16454643
   0.75630831  0.16194723  0.45170069
   0.51027776  0.12424753  0.42120778
   0.59723283  0.10127362  0.59381454
   0.83842696  0.22724567  0.79506187
   0.55814129  0.33718979  0.53620773
   0.87785147  0.47944811  0.83465450
   0.97317832  0.45747885  0.66705488
   0.70888603  0.42731069  0.68437916
   0.79934312  0.11716790  0.97598947
   0.56075304  0.12479590  0.91318513
   0.56512468  0.57124307  0.08544195
   0.83368296  0.69477902  0.30942274
   0.60961575  0.84181335  0.03745740
   0.84019662  0.95821543  0.33775135
   0.90035739  0.83589584  0.17112748
   0.63664445  0.87290211  0.22991938
   0.80062286  0.56304826  0.47010813
   0.55741914  0.55568441  0.38216522
   0.59671979  0.62035691  0.57112287
   0.80661341  0.71846232  0.79751749
   0.62327396  0.80717646  0.42759845
   0.87569328  0.96797378  0.83132695
   0.92664327  0.85167247  0.66943609
   0.66898892  0.93501673  0.73457251
   0.76960487  0.62508339  0.97065202
   0.52023354  0.65893951  0.90608974
   0.65962905  0.84956265  0.57329002
   0.67815127  0.88203054  0.44892227
   0.86564682  0.21268917  0.11062594
   1.03871575  0.40180902  0.33278652
   0.31104020  0.16854496  0.64886843
   0.26475636  0.74068186  0.75077125
  -0.03885186  1.10916657  0.13670052
   0.21950222  1.07292122  0.05644890
   0.64595228  0.37858034  0.85060458
   0.90800899  0.41673552  0.61970307
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837178    0.500484    0.015619
    -0.000000    9.830561    0.217490
    -0.000000    0.000000   14.190045
   Si   O    H 
    32    64    10
Direct configuration=  1259
   0.17913049  0.16893654 -0.01770645
   0.36812356  0.08551106  0.37222609
   0.11998047  0.41288034  0.11881364
   0.37551265  0.34879365  0.24788439
   0.10147845  0.14468766  0.48541111
   0.42734875  0.14479250  0.85995558
   0.12031861  0.40102794  0.62053347
   0.35150110  0.40279860  0.75499618
   0.11837777  0.68606685  0.00272882
   0.39048052  0.59290029  0.36243309
   0.04930086  0.89645279  0.15060121
   0.33063752  0.84443678  0.25047061
   0.16804108  0.66283151  0.50515310
   0.36326851  0.64212833  0.87887442
   0.06575144  0.92257142  0.61929071
   0.32659228  1.03579110  0.69009295
   0.64648842  0.16008799  1.00319309
   0.85007869  0.12632506  0.36214104
   0.60989878  0.42540174  0.12127380
   0.87161399  0.30508521  0.18703763
   0.60473838  0.19070210  0.49647821
   0.89356784  0.11612434  0.87341437
   0.56691124  0.46397689  0.61850688
   0.76270674  0.38206579  0.78857011
   0.61484711  0.67552672  0.00393241
   0.90917716  0.59391562  0.38273321
   0.56474188  0.92725395  0.12942610
   0.79738081  0.84046669  0.26008537
   0.64146488  0.64456153  0.45719601
   0.86987794  0.62777336  0.87986140
   0.58983959  0.94540265  0.62942726
   0.81405697  0.87204684  0.75109824
   0.04919028  0.05750617  0.16048914
   0.35674150  0.18977394  0.28341310
   0.12202526  0.31277091  0.02619150
   0.34100340  0.44383550  0.34038643
   0.52705641  0.36823508  0.21071429
   0.26498303  0.39042731  0.16346331
   0.24948952  0.10746408  0.45205441
   0.00729631  0.16716666  0.39374737
   0.01767426  0.03817902  0.54592574
   0.43839873  0.26815955  0.77864236
   0.14175820  0.27676493  0.54890561
   0.33579514  0.49649890  0.84622074
   0.41864791  0.48763207  0.66946366
   0.20913318  0.35103843  0.71557820
   0.30465934  0.21240334 -0.07723554
   0.04689209  0.13481686  0.91887341
   0.07696523  0.55966367  0.07122408
   0.36332167  0.68032578  0.27070619
   0.07640751  0.83417076  0.04321131
   0.37180764  0.93456735  0.33755970
   0.40589044  0.89205414  0.15548847
   0.17027672  0.85126396  0.22518714
   0.31131392  0.67022868  0.44536919
   0.06024125  0.62841008  0.42637439
   0.17857562  0.52770089  0.56875036
   0.31000971  0.75284007  0.80061973
   0.12797261  0.79817088  0.56333349
   0.36846997  1.02803553  0.80608171
   0.42255129  0.91861743  0.63959769
   0.16988624  0.97890231  0.68978577
   0.27725311  0.66135737 -0.02534164
   0.01815990  0.66821853  0.91656175
   0.60367981  0.08416099  0.10239744
   0.82975147  0.21896176  0.27357881
   0.61326054  0.31286236  0.04207399
   0.94437769  0.44039598  0.34266894
   0.03393082  0.33905869  0.19919739
   0.76711763  0.43187730  0.16409715
   0.75625191  0.16214801  0.45231324
   0.50904275  0.12453077  0.42142958
   0.59687329  0.10209827  0.59399670
   0.84005955  0.22837098  0.79494948
   0.55910475  0.33884206  0.53535339
   0.87721115  0.47966306  0.83578933
   0.97403858  0.45888821  0.66735168
   0.71001326  0.42798957  0.68335349
   0.80244355  0.11748229  0.97532650
   0.55860164  0.12626132  0.91380748
   0.56551463  0.57266596  0.08514234
   0.83320167  0.69339078  0.30883805
   0.61038778  0.83973654  0.03741053
   0.83995396  0.95716649  0.33729869
   0.89901322  0.83766227  0.17117351
   0.63611971  0.87105704  0.22947560
   0.80148668  0.56310120  0.47017202
   0.55736342  0.55569743  0.38235404
   0.59657381  0.62129992  0.57116593
   0.80662220  0.71897925  0.79658214
   0.62383311  0.80683567  0.42744380
   0.87569877  0.96744318  0.83131170
   0.92619879  0.85337983  0.66948333
   0.66739109  0.93491146  0.73283597
   0.76868126  0.62417785  0.97322830
   0.51964862  0.65970100  0.90627811
   0.66510506  0.84634206  0.57415373
   0.67246170  0.87633347  0.44883923
   0.86995021  0.21009497  0.10431550
   1.04133236  0.40691571  0.33202705
   0.31082712  0.17170739  0.64244625
   0.25639707  0.73967098  0.74245766
  -0.03772312  1.10405724  0.13598175
   0.22086891  1.08202908  0.06063996
   0.64394470  0.37975829  0.84741019
   0.91723947  0.42254409  0.63147588
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837138    0.504100    0.015758
    -0.000000    9.831836    0.216699
    -0.000000    0.000000   14.189411
   Si   O    H 
    32    64    10
Direct configuration=  1260
   0.18032863  0.16913449 -0.01785151
   0.36900612  0.08542240  0.37232459
   0.11854027  0.41108224  0.11768473
   0.37412009  0.34837897  0.24894293
   0.10088851  0.14456608  0.48410027
   0.42738579  0.14492615  0.86045504
   0.11977775  0.40307991  0.62049571
   0.35191460  0.40190524  0.75556801
   0.11817756  0.68608983  0.00232027
   0.39225360  0.59205640  0.36200835
   0.04864570  0.89565106  0.15049609
   0.33111413  0.84396389  0.24996424
   0.16917703  0.66213536  0.50500146
   0.36259234  0.64219724  0.87878217
   0.06451140  0.92319504  0.61994605
   0.32546575  1.03598237  0.68992683
   0.64742334  0.15955549  1.00457531
   0.85007058  0.12553615  0.36210809
   0.61033257  0.42477480  0.12160730
   0.87328983  0.30436322  0.18737538
   0.60376586  0.19199854  0.49626127
   0.89457725  0.11680696  0.87362888
   0.56611449  0.46486653  0.61945801
   0.76228323  0.38159882  0.78819563
   0.61524603  0.67654512  0.00337956
   0.90868884  0.59408127  0.38176574
   0.56238119  0.92811099  0.12865241
   0.79809149  0.83978178  0.26018156
   0.64012665  0.64422252  0.45806713
   0.87034994  0.62719302  0.87933703
   0.58916123  0.94450056  0.62992690
   0.81486017  0.87078123  0.75101581
   0.04901131  0.05831526  0.16056809
   0.35798106  0.19151905  0.28399778
   0.12258217  0.31386214  0.02629683
   0.34150155  0.44253503  0.33849758
   0.52685289  0.36893017  0.21022746
   0.26611588  0.39042679  0.16343583
   0.25119103  0.10725665  0.45198597
   0.00556873  0.16641784  0.39334736
   0.01628790  0.04027283  0.54607232
   0.43805729  0.26818950  0.77948531
   0.14118825  0.27678766  0.54927665
   0.33850865  0.49695511  0.84818059
   0.41938540  0.48711618  0.66906979
   0.20812992  0.35215245  0.71565479
   0.30488364  0.21334145 -0.07744451
   0.04708525  0.13319222  0.91930997
   0.07706809  0.56307483  0.07173578
   0.36400379  0.67950395  0.27054736
   0.07764143  0.83564202  0.04400651
   0.37031036  0.93643073  0.33766537
   0.40609742  0.89248413  0.15649413
   0.17086398  0.85249203  0.22617692
   0.31051877  0.67018030  0.44552640
   0.06107043  0.62678625  0.42677055
   0.18131376  0.52785168  0.56906718
   0.31023855  0.75300425  0.80033731
   0.12787584  0.79872409  0.56481543
   0.36867417  1.02705970  0.80494881
   0.42272257  0.91943260  0.63815357
   0.17026775  0.97831269  0.69050041
   0.27751222  0.66233589 -0.02562749
   0.01739178  0.66635693  0.91619974
   0.60514380  0.08286023  0.10250149
   0.83090535  0.21777790  0.27406508
   0.61434790  0.31205770  0.04262034
   0.94481619  0.44050528  0.34329873
   0.03455065  0.33786135  0.19978755
   0.76866474  0.42923903  0.16351621
   0.75588380  0.16255881  0.45275934
   0.50760100  0.12422188  0.42191230
   0.59707589  0.10261642  0.59422497
   0.84052719  0.22952499  0.79458065
   0.55909275  0.34042121  0.53483136
   0.87672763  0.47919241  0.83657621
   0.97645738  0.46178718  0.66863141
   0.70889591  0.42868799  0.68223043
   0.80479001  0.11802297  0.97502429
   0.55680880  0.12721628  0.91463428
   0.56506924  0.57447764  0.08488385
   0.83194898  0.69160706  0.30820773
   0.61104942  0.83766191  0.03747997
   0.83954658  0.95696596  0.33692982
   0.89723369  0.83940515  0.17084513
   0.63633739  0.86912725  0.22870970
   0.80162878  0.56283518  0.47021949
   0.55643385  0.55531728  0.38308582
   0.59639897  0.62196546  0.57072240
   0.80617945  0.71965435  0.79570326
   0.62408442  0.80614527  0.42741909
   0.87662505  0.96619468  0.83146653
   0.92659067  0.85551259  0.66900690
   0.66552784  0.93495471  0.73112375
   0.76784054  0.62337573  0.97571762
   0.51953998  0.66036185  0.90719202
   0.66958442  0.84478255  0.57615661
   0.67673940  0.88305517  0.45235165
   0.86981440  0.21343455  0.09869541
   1.04027062  0.41549215  0.33199989
   0.31288821  0.17245486  0.63660476
   0.25483034  0.73725702  0.73702210
  -0.03278467  1.09831805  0.13419665
   0.22214101  1.08998662  0.06566126
   0.64113322  0.38242154  0.84547466
   0.90060867  0.41545182  0.62571601
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836670    0.507819    0.015820
    -0.000000    9.833157    0.215756
    -0.000000    0.000000   14.188713
   Si   O    H 
    32    64    10
Direct configuration=  1261
   0.18134904  0.16951497 -0.01812936
   0.36956130  0.08544667  0.37250001
   0.11834173  0.40887323  0.11591456
   0.37239351  0.34773278  0.25020508
   0.10072683  0.14405788  0.48263176
   0.42679077  0.14503129  0.86068766
   0.11956433  0.40437661  0.62078972
   0.35170855  0.40104208  0.75621734
   0.11800378  0.68593748  0.00172949
   0.39410110  0.59115254  0.36146630
   0.04858086  0.89467962  0.15059194
   0.33122581  0.84319721  0.24976157
   0.17040179  0.66157887  0.50490197
   0.36209443  0.64296722  0.87878592
   0.06314306  0.92453131  0.62005228
   0.32421152  1.03670581  0.68994204
   0.64818384  0.15903362  1.00552570
   0.85053244  0.12443343  0.36198628
   0.61109584  0.42462247  0.12217815
   0.87496978  0.30327219  0.18750882
   0.60257934  0.19344454  0.49615178
   0.89582654  0.11767471  0.87368818
   0.56594259  0.46597374  0.62022869
   0.76200291  0.38068926  0.78814852
   0.61524807  0.67778462  0.00267163
   0.90857898  0.59358528  0.38137230
   0.56047105  0.92829379  0.12788940
   0.79774712  0.83925463  0.26025410
   0.63947633  0.64423673  0.45897277
   0.87064603  0.62657382  0.87947492
   0.58779546  0.94426801  0.63058356
   0.81547080  0.86973299  0.75088987
   0.04865501  0.05902126  0.16143277
   0.35866347  0.19377304  0.28415645
   0.12257013  0.31473297  0.02673665
   0.34196745  0.44150626  0.33673842
   0.52614654  0.36914625  0.20945949
   0.26814589  0.39100658  0.16317973
   0.25286575  0.10690234  0.45185283
   0.00350531  0.16600387  0.39356217
   0.01509706  0.04225349  0.54552481
   0.43778585  0.26674200  0.78014901
   0.13974642  0.27718483  0.55019990
   0.34044454  0.49618146  0.84959673
   0.41928443  0.48726211  0.66842013
   0.20719672  0.35347826  0.71624414
   0.30520572  0.21357699 -0.07790588
   0.04702879  0.13075159  0.91967336
   0.07715730  0.56638238  0.07242968
   0.36505898  0.67970182  0.26957231
   0.07840014  0.83649022  0.04487097
   0.36852185  0.93810702  0.33713044
   0.40759558  0.89292362  0.15707896
   0.17023005  0.85404030  0.22689861
   0.31002711  0.66970200  0.44613711
   0.06173390  0.62562706  0.42718716
   0.18395012  0.52754722  0.56926077
   0.31016213  0.75256968  0.79945325
   0.12783400  0.79869301  0.56608618
   0.36841727  1.02627815  0.80378049
   0.42373093  0.92119106  0.63622740
   0.17117889  0.97808870  0.69163683
   0.27812099  0.66323437 -0.02535313
   0.01652746  0.66531867  0.91611423
   0.60600372  0.08083742  0.10200233
   0.83156145  0.21700926  0.27470268
   0.61547826  0.31128080  0.04249086
   0.94517447  0.44130215  0.34431568
   0.03479652  0.33754394  0.20009734
   0.77023331  0.42728643  0.16252682
   0.75507621  0.16257141  0.45283171
   0.50617603  0.12499656  0.42258335
   0.59802745  0.10270778  0.59406649
   0.84049982  0.23078877  0.79406827
   0.55901998  0.34170392  0.53431124
   0.87594001  0.47815902  0.83766045
   0.97831065  0.46305336  0.66880357
   0.70746065  0.42990401  0.68142753
   0.80635943  0.11931149  0.97500917
   0.55604690  0.12736002  0.91538641
   0.56384371  0.57647695  0.08503857
   0.83079500  0.68940121  0.30691027
   0.61144551  0.83639097  0.03764331
   0.83933601  0.95742673  0.33665883
   0.89560444  0.84101677  0.17055107
   0.63677623  0.86685918  0.22777857
   0.80122876  0.56280291  0.46970474
   0.55501618  0.55506022  0.38374362
   0.59619225  0.62147758  0.57035903
   0.80553861  0.72030567  0.79482581
   0.62378172  0.80596270  0.42767480
   0.87771325  0.96450478  0.83150008
   0.92706572  0.85795880  0.66854485
   0.66427526  0.93537812  0.72987043
   0.76745685  0.62354335  0.97729243
   0.52083832  0.66119299  0.90758836
   0.67585389  0.84255381  0.57852890
   0.68038936  0.87850750  0.45218743
   0.86819376  0.22459457  0.09632906
   1.03740079  0.42183800  0.33330492
   0.31654624  0.16668350  0.63380784
   0.26337698  0.73030246  0.74040590
  -0.03638007  1.09750674  0.12964720
   0.21821528  1.09655191  0.06860822
   0.63887943  0.38569049  0.84379058
   0.88963437  0.41350494  0.62813230
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835956    0.512233    0.016305
    -0.000000    9.834511    0.214263
    -0.000000    0.000000   14.188110
   Si   O    H 
    32    64    10
Direct configuration=  1262
   0.18181407  0.16991543 -0.01816387
   0.37013812  0.08589254  0.37252812
   0.11805819  0.40715073  0.11462641
   0.37121178  0.34707262  0.25108945
   0.10082820  0.14356358  0.48147393
   0.42610420  0.14488082  0.86059314
   0.11991920  0.40576478  0.62098993
   0.35144326  0.39966497  0.75703665
   0.11778112  0.68629925  0.00127021
   0.39554247  0.59037612  0.36102212
   0.04850582  0.89382283  0.15042897
   0.33081220  0.84265127  0.24970325
   0.17180306  0.66150119  0.50498631
   0.36124373  0.64364677  0.87883515
   0.06191604  0.92589363  0.62004728
   0.32306995  1.03747710  0.68995933
   0.64870685  0.15835386  1.00657452
   0.85100462  0.12302044  0.36148269
   0.61264033  0.42463479  0.12274914
   0.87588388  0.30230684  0.18759557
   0.60135463  0.19421390  0.49629103
   0.89690312  0.11847422  0.87405875
   0.56660946  0.46667436  0.62063037
   0.76173403  0.37982466  0.78812657
   0.61522510  0.67852699  0.00192359
   0.90893858  0.59305090  0.38098875
   0.55894581  0.92841178  0.12718521
   0.79713434  0.83840529  0.26034768
   0.63879977  0.64357033  0.45949750
   0.87097116  0.62601693  0.87995083
   0.58694464  0.94400227  0.63126767
   0.81595153  0.86928722  0.75103440
   0.04785253  0.05976295  0.16213474
   0.35879586  0.19548701  0.28409112
   0.12235698  0.31528377  0.02670519
   0.34179254  0.44085184  0.33566605
   0.52542279  0.36922965  0.20870374
   0.26932895  0.39190289  0.16300172
   0.25326525  0.10634209  0.45128469
   0.00230985  0.16564684  0.39392740
   0.01449852  0.04449922  0.54510813
   0.43808158  0.26472065  0.78064255
   0.13751129  0.27691651  0.55084951
   0.34207393  0.49441554  0.85035803
   0.41923462  0.48739771  0.66801487
   0.20594526  0.35519159  0.71677125
   0.30494032  0.21449326 -0.07860097
   0.04753567  0.12766035  0.91982317
   0.07834002  0.56895621  0.07399870
   0.36578753  0.68013782  0.26806156
   0.07926719  0.83620436  0.04561574
   0.36602608  0.93945537  0.33648886
   0.40798325  0.89379113  0.15696772
   0.16889054  0.85462123  0.22711725
   0.30968934  0.66951536  0.44671882
   0.06173256  0.62506394  0.42692638
   0.18599607  0.52761141  0.56966321
   0.30980134  0.75264899  0.79824158
   0.12820396  0.79794045  0.56667542
   0.36774168  1.02545084  0.80226514
   0.42413103  0.92272506  0.63444690
   0.17272455  0.97864636  0.69314064
   0.27762991  0.66434591 -0.02500128
   0.01581711  0.66456240  0.91559992
   0.60652199  0.07851664  0.10204616
   0.83120081  0.21610856  0.27524240
   0.61685395  0.31023848  0.04237896
   0.94408807  0.44218840  0.34527436
   0.03407131  0.33747172  0.20045878
   0.77214590  0.42551072  0.16215412
   0.75529940  0.16245774  0.45220030
   0.50520857  0.12521078  0.42332970
   0.59862832  0.10301239  0.59355668
   0.84129145  0.23157553  0.79358279
   0.55915453  0.34244428  0.53434557
   0.87423707  0.47629131  0.83816792
   0.97992866  0.46460009  0.66892002
   0.70646276  0.43143646  0.68081014
   0.80749858  0.12084064  0.97485139
   0.55709631  0.12726389  0.91638199
   0.56303783  0.57941586  0.08558414
   0.82952658  0.68837195  0.30553623
   0.61196508  0.83514059  0.03785870
   0.83903697  0.95835659  0.33668855
   0.89510345  0.84247459  0.16938757
   0.63700765  0.86441560  0.22699780
   0.80080752  0.56334367  0.46953222
   0.55387628  0.55478708  0.38391074
   0.59553060  0.61981203  0.57043312
   0.80550979  0.72134404  0.79377233
   0.62360655  0.80646636  0.42802503
   0.87888506  0.96286908  0.83145476
   0.92849649  0.85990032  0.66768521
   0.66381793  0.93630542  0.72849048
   0.76768881  0.62323412  0.97799505
   0.52181879  0.66230769  0.90799500
   0.67755243  0.84231244  0.57968009
   0.68725505  0.87132068  0.45301930
   0.86706483  0.23516515  0.09441689
   1.04224715  0.42227788  0.33311104
   0.32303532  0.15871686  0.62994712
   0.27062766  0.72390473  0.74418987
  -0.04079427  1.10187285  0.12890455
   0.21610431  1.09851090  0.06623986
   0.63548687  0.39234695  0.84364973
   0.88957103  0.41844462  0.63747168
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834804    0.516211    0.017034
    -0.000000    9.835332    0.212505
    -0.000000    0.000000   14.187558
   Si   O    H 
    32    64    10
Direct configuration=  1263
   0.18216151  0.17009342 -0.01848629
   0.37062806  0.08685498  0.37272997
   0.11807469  0.40564614  0.11378270
   0.36972400  0.34684942  0.25170280
   0.10058755  0.14310598  0.48054295
   0.42502575  0.14473834  0.86017546
   0.12028974  0.40651697  0.62139647
   0.35087491  0.39857436  0.75759245
   0.11707893  0.68638122  0.00038933
   0.39638472  0.58982077  0.36088274
   0.04873699  0.89272367  0.15023900
   0.32972983  0.84258151  0.24968944
   0.17275055  0.66118209  0.50506757
   0.36054359  0.64402295  0.87906751
   0.06014000  0.92701492  0.61995506
   0.32232803  1.03780034  0.69025501
   0.64924234  0.15773580  1.00769112
   0.85138916  0.12118894  0.36176429
   0.61434331  0.42525266  0.12307322
   0.87669734  0.30058659  0.18754524
   0.60080611  0.19461625  0.49624916
   0.89778089  0.11960679  0.87444259
   0.56749724  0.46679802  0.62102261
   0.76195767  0.37908909  0.78823900
   0.61544018  0.67917138  0.00072665
   0.90897038  0.59197452  0.38102366
   0.55824437  0.92784424  0.12665752
   0.79621252  0.83782516  0.26038899
   0.63874327  0.64267755  0.46021032
   0.87175633  0.62517359  0.88059823
   0.58637862  0.94406270  0.63138192
   0.81626161  0.86906925  0.75124294
   0.04636305  0.06037675  0.16268832
   0.35875919  0.19676742  0.28392787
   0.12181184  0.31598545  0.02665442
   0.34189102  0.44122321  0.33503981
   0.52394934  0.36938950  0.20741628
   0.27108161  0.39175109  0.16244968
   0.25359663  0.10615295  0.45083631
   0.00112132  0.16536541  0.39388260
   0.01281324  0.04587315  0.54510303
   0.43789179  0.26304156  0.78162343
   0.13596874  0.27619494  0.55155597
   0.34336582  0.49244087  0.85085535
   0.41962773  0.48737223  0.66720353
   0.20478097  0.35711631  0.71733984
   0.30559948  0.21525847 -0.07948924
   0.04776413  0.12469186  0.91978661
   0.07906306  0.57037860  0.07609426
   0.36726226  0.68049729  0.26639444
   0.08009170  0.83602888  0.04647818
   0.36393724  0.94059210  0.33506146
   0.40840862  0.89514059  0.15677404
   0.16814123  0.85488339  0.22694364
   0.30954240  0.66982525  0.44721597
   0.06061649  0.62439292  0.42618011
   0.18767828  0.52827659  0.56977183
   0.30964826  0.75325840  0.79794358
   0.12824557  0.79706696  0.56672080
   0.36705397  1.02431750  0.80122544
   0.42436332  0.92483777  0.63319971
   0.17374950  0.97928621  0.69455992
   0.27713627  0.66594166 -0.02425841
   0.01514464  0.66423604  0.91448182
   0.60687041  0.07577618  0.10159295
   0.83092457  0.21594198  0.27535121
   0.61812518  0.30921924  0.04189429
   0.94361945  0.44360160  0.34550598
   0.03331518  0.33659050  0.20082583
   0.77346083  0.42459145  0.16134180
   0.75479957  0.16198770  0.45158558
   0.50470572  0.12482953  0.42382970
   0.59889463  0.10384217  0.59352007
   0.84159804  0.23154327  0.79328208
   0.55977645  0.34353270  0.53408475
   0.87357753  0.47378321  0.83878040
   0.98006734  0.46583797  0.66856613
   0.70603319  0.43258915  0.68086033
   0.80828878  0.12199942  0.97433567
   0.55880747  0.12725930  0.91727684
   0.56177080  0.58166337  0.08586572
   0.82781605  0.68780281  0.30424551
   0.61239584  0.83445541  0.03814656
   0.83884883  0.95868855  0.33671702
   0.89454214  0.84478759  0.16825725
   0.63841939  0.86254323  0.22703873
   0.80098070  0.56456598  0.46954576
   0.55271934  0.55513786  0.38397545
   0.59487185  0.61780768  0.57054637
   0.80507837  0.72219616  0.79286384
   0.62385320  0.80609844  0.42856595
   0.87980129  0.96222395  0.83100825
   0.92954697  0.86191195  0.66706693
   0.66362173  0.93646772  0.72714304
   0.76817626  0.62283315  0.97858653
   0.52277706  0.66388194  0.90875098
   0.67444322  0.84731380  0.58243509
   0.69488052  0.86383522  0.45173486
   0.86630410  0.24205487  0.09579275
   1.04114897  0.42216740  0.33198184
   0.32940273  0.15081182  0.62861949
   0.27201424  0.71648212  0.74099193
  -0.03476110  1.10385795  0.13055366
   0.21620065  1.09550783  0.06319190
   0.63642349  0.39457435  0.84524858
   0.90178103  0.43182016  0.64962435
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833796    0.519691    0.017517
    -0.000000    9.836187    0.211028
    -0.000000    0.000000   14.187215
   Si   O    H 
    32    64    10
Direct configuration=  1264
   0.18180270  0.17071322 -0.01887625
   0.37091736  0.08744612  0.37302351
   0.11768834  0.40520708  0.11310653
   0.36770416  0.34649297  0.25142353
   0.10025010  0.14283401  0.48021355
   0.42387735  0.14445051  0.85980249
   0.12069351  0.40713199  0.62154894
   0.35083316  0.39719212  0.75785919
   0.11574679  0.68615908 -0.00024521
   0.39627685  0.58930805  0.36095255
   0.04922728  0.89232053  0.15030975
   0.32819075  0.84276922  0.24960824
   0.17332229  0.66079591  0.50547452
   0.35977188  0.64498420  0.87909744
   0.05934298  0.92746046  0.62017583
   0.32132679  1.03799598  0.69055262
   0.64973302  0.15711469  1.00862213
   0.85170563  0.11967020  0.36228198
   0.61615516  0.42551262  0.12339771
   0.87754704  0.29951393  0.18747007
   0.60114166  0.19454606  0.49658565
   0.89841677  0.11971214  0.87469579
   0.56817257  0.46683345  0.62099137
   0.76136296  0.37854608  0.78830096
   0.61521561  0.67988751 -0.00065570
   0.90908244  0.59092352  0.38111361
   0.55743406  0.92719493  0.12649448
   0.79529603  0.83816576  0.26066304
   0.63955752  0.64187374  0.46080316
   0.87206480  0.62438170  0.88110557
   0.58568127  0.94381745  0.63112378
   0.81681286  0.86975325  0.75101124
   0.04547517  0.06022668  0.16345268
   0.35908054  0.19794033  0.28459377
   0.12079604  0.31612489  0.02585091
   0.34156189  0.44224144  0.33508407
   0.52236381  0.36923070  0.20675270
   0.27231796  0.39149564  0.16190274
   0.25349382  0.10541863  0.45076352
  -0.00088016  0.16539774  0.39366653
   0.01187619  0.04734225  0.54545750
   0.43764002  0.26197407  0.78147980
   0.13391309  0.27504583  0.55192179
   0.34358288  0.48926491  0.85074266
   0.41986823  0.48683469  0.66650578
   0.20365952  0.35823544  0.71826865
   0.30671854  0.21594300 -0.07984212
   0.04908388  0.12252195  0.91927070
   0.07832928  0.57188550  0.07862219
   0.36900218  0.68164960  0.26531185
   0.08159449  0.83602472  0.04713166
   0.36157010  0.94126880  0.33350355
   0.40851695  0.89654048  0.15603126
   0.16712125  0.85488426  0.22660051
   0.30939835  0.67075572  0.44763518
   0.06014380  0.62394143  0.42511218
   0.18857958  0.52907670  0.57069263
   0.30912947  0.75334691  0.79810953
   0.12827095  0.79581423  0.56695025
   0.36656629  1.02383247  0.80013022
   0.42432596  0.92656326  0.63224037
   0.17318856  0.97961363  0.69540418
   0.27679912  0.66778405 -0.02359342
   0.01516980  0.66440646  0.91292417
   0.60667748  0.07336893  0.10136949
   0.82998371  0.21691491  0.27559139
   0.61993157  0.30865694  0.04108661
   0.94412116  0.44403927  0.34596163
   0.03257172  0.33561262  0.20093836
   0.77534419  0.42451554  0.16039764
   0.75412131  0.16153759  0.45065735
   0.50414573  0.12448694  0.42443199
   0.59867323  0.10474032  0.59392557
   0.84240993  0.23123345  0.79325644
   0.56045589  0.34475854  0.53351180
   0.87179382  0.47144683  0.84005320
   0.98012150  0.46723429  0.66792675
   0.70679715  0.43369677  0.68114000
   0.80795895  0.12350995  0.97360351
   0.56082300  0.12782514  0.91821345
   0.56053723  0.58364422  0.08631184
   0.82637649  0.68712412  0.30340266
   0.61267460  0.83429804  0.03840991
   0.83825081  0.95901008  0.33713414
   0.89427042  0.84719616  0.16685528
   0.63947940  0.86175715  0.22719962
   0.80068562  0.56655770  0.46925577
   0.55252051  0.55452192  0.38366043
   0.59441078  0.61538695  0.57075819
   0.80433701  0.72273580  0.79280755
   0.62398711  0.80585893  0.42923687
   0.88047564  0.96157353  0.83091950
   0.93063820  0.86336571  0.66686071
   0.66334872  0.93678463  0.72645823
   0.76907895  0.62238022  0.97904600
   0.52320005  0.66497044  0.90947194
   0.67041789  0.84644475  0.58293690
   0.69999884  0.85390412  0.45462304
   0.86789244  0.24542772  0.09894579
   1.03689360  0.42190380  0.33020238
   0.33381176  0.14820513  0.62778816
   0.27410246  0.71394451  0.73947211
  -0.02768547  1.10421380  0.13017422
   0.21865340  1.08827231  0.05972123
   0.63756856  0.39393948  0.84373026
   0.89736850  0.44018908  0.65447389
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833024    0.523014    0.018156
    -0.000000    9.836700    0.209788
    -0.000000    0.000000   14.186759
   Si   O    H 
    32    64    10
Direct configuration=  1265
   0.18157202  0.17170029 -0.01926206
   0.37084803  0.08774237  0.37301862
   0.11796389  0.40496812  0.11275245
   0.36677387  0.34637921  0.25067428
   0.10044230  0.14286723  0.48024336
   0.42305328  0.14351556  0.85980850
   0.12124483  0.40681308  0.62194778
   0.35103649  0.39624980  0.75766877
   0.11469296  0.68554493 -0.00087750
   0.39530626  0.58866769  0.36084915
   0.04971190  0.89185179  0.15038292
   0.32723356  0.84266759  0.24959824
   0.17341623  0.66096149  0.50550161
   0.35958845  0.64541305  0.87910574
   0.05859951  0.92808260  0.62035464
   0.32046366  1.03812289  0.69050809
   0.65066423  0.15631587  1.00917082
   0.85162278  0.11821126  0.36270858
   0.61708002  0.42586967  0.12407152
   0.87808916  0.29890490  0.18740920
   0.60150218  0.19474976  0.49688762
   0.89837735  0.11944503  0.87483079
   0.56823051  0.46710200  0.62055262
   0.76048180  0.37830327  0.78829143
   0.61478580  0.68048854 -0.00183268
   0.90957281  0.58967928  0.38165076
   0.55633284  0.92675255  0.12618643
   0.79435602  0.83923133  0.26074985
   0.64040178  0.64064003  0.46179851
   0.87186049  0.62401485  0.88135260
   0.58501433  0.94335197  0.63091997
   0.81782894  0.87068780  0.75100736
   0.04456333  0.05925701  0.16381158
   0.35887610  0.19822431  0.28563282
   0.12091745  0.31586182  0.02441404
   0.34034914  0.44355511  0.33560474
   0.52113527  0.36943021  0.20672738
   0.27277712  0.39100176  0.16152480
   0.25297232  0.10437147  0.45049409
  -0.00269743  0.16509096  0.39332890
   0.01182423  0.04867500  0.54619987
   0.43822947  0.26100827  0.78124735
   0.13146276  0.27396487  0.55210772
   0.34367582  0.48585589  0.85034478
   0.41998213  0.48594832  0.66606937
   0.20335680  0.35984287  0.71926690
   0.30776766  0.21687916 -0.08051691
   0.05115279  0.12090783  0.91886738
   0.07802813  0.57246829  0.08129552
   0.37072338  0.68375061  0.26458820
   0.08287839  0.83599481  0.04723498
   0.35925932  0.94195075  0.33209818
   0.40767770  0.89767740  0.15500819
   0.16577698  0.85545160  0.22643803
   0.30926030  0.67132374  0.44796679
   0.06024487  0.62326798  0.42393688
   0.18904111  0.53041597  0.57127576
   0.30879857  0.75296674  0.79763652
   0.12847462  0.79482355  0.56721055
   0.36583757  1.02354189  0.79904598
   0.42543371  0.92776567  0.63126982
   0.17196589  0.97961743  0.69640642
   0.27680710  0.67014197 -0.02283782
   0.01584600  0.66530526  0.91144263
   0.60702670  0.07162499  0.10081216
   0.82818410  0.21697865  0.27558299
   0.62116351  0.30771364  0.04031583
   0.94517426  0.44441163  0.34633018
   0.03203563  0.33533896  0.20099284
   0.77658184  0.42495930  0.15965367
   0.75310551  0.16113024  0.44957196
   0.50378783  0.12367848  0.42469853
   0.59891894  0.10462884  0.59460750
   0.84307361  0.23107026  0.79366063
   0.56162871  0.34687040  0.53308049
   0.87039793  0.46848475  0.84149509
   0.98162952  0.46871865  0.66707590
   0.70794889  0.43420106  0.68175116
   0.80708867  0.12534506  0.97282678
   0.56238567  0.12845859  0.91845804
   0.55911301  0.58533409  0.08624091
   0.82560614  0.68608905  0.30284369
   0.61325426  0.83412976  0.03917751
   0.83758030  0.95912342  0.33762249
   0.89395168  0.84931045  0.16550679
   0.64000055  0.86163454  0.22708617
   0.80041580  0.56963114  0.46869624
   0.55205853  0.55447530  0.38347444
   0.59440362  0.61377861  0.57068494
   0.80373968  0.72296856  0.79262420
   0.62533904  0.80509853  0.42981411
   0.88136143  0.96131291  0.83123205
   0.93112168  0.86387184  0.66653350
   0.66421698  0.93649242  0.72604871
   0.77028674  0.62157257  0.97909962
   0.52285300  0.66557768  0.90942612
   0.66692550  0.84777182  0.58159996
   0.70347487  0.84564746  0.45969003
   0.87445787  0.24361082  0.09689942
   1.03387600  0.42114959  0.32887644
   0.33263368  0.15179472  0.62616255
   0.27648326  0.70958748  0.74274583
  -0.02832673  1.11137020  0.12292265
   0.22302168  1.07760086  0.05714585
   0.63756818  0.39501425  0.84094082
   0.87787573  0.43987567  0.65338007
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832234    0.527271    0.018772
    -0.000000    9.837490    0.208975
    -0.000000    0.000000   14.186152
   Si   O    H 
    32    64    10
Direct configuration=  1266
   0.17991621  0.17181827 -0.01952909
   0.37071454  0.08711362  0.37302041
   0.11854155  0.40441790  0.11266302
   0.36646263  0.34649381  0.24970067
   0.10027666  0.14320088  0.48067432
   0.42225241  0.14273846  0.85987644
   0.12154961  0.40650801  0.62265690
   0.35157127  0.39525217  0.75739769
   0.11411304  0.68442103 -0.00147979
   0.39422036  0.58823993  0.36070379
   0.05013742  0.89232044  0.15078265
   0.32634382  0.84280744  0.24899468
   0.17279557  0.66175052  0.50553356
   0.35911770  0.64600122  0.87919613
   0.05861543  0.92873681  0.62046412
   0.32030801  1.03810566  0.69025586
   0.65163603  0.15553907  1.00987066
   0.85139980  0.11638668  0.36319981
   0.61783659  0.42634762  0.12438439
   0.87832650  0.29860715  0.18728193
   0.60246492  0.19450299  0.49714097
   0.89758317  0.11893571  0.87469615
   0.56891435  0.46757903  0.62029481
   0.75919904  0.37838194  0.78833393
   0.61468982  0.68068080 -0.00269861
   0.91019068  0.58878137  0.38243537
   0.55611572  0.92582567  0.12599524
   0.79368620  0.83990186  0.26086069
   0.64122350  0.63973668  0.46261894
   0.87112114  0.62376755  0.88175872
   0.58468480  0.94332601  0.63056516
   0.81878834  0.87177565  0.75132789
   0.04332057  0.05877176  0.16403222
   0.35805063  0.19766014  0.28602342
   0.12159666  0.31482542  0.02288615
   0.33924943  0.44480411  0.33646145
   0.51987309  0.37016878  0.20622582
   0.27274686  0.39089429  0.16042831
   0.25221190  0.10285144  0.45034534
  -0.00388246  0.16530937  0.39288183
   0.01197899  0.04917074  0.54709175
   0.43974224  0.26074984  0.78077306
   0.12943515  0.27259511  0.55230036
   0.34408270  0.48332759  0.85003889
   0.41975708  0.48472746  0.66597686
   0.20336659  0.36107494  0.72001858
   0.30926037  0.21778491 -0.08112025
   0.05264993  0.11987102  0.91871662
   0.07666615  0.57184797  0.08408707
   0.37305651  0.68597471  0.26392655
   0.08401554  0.83589237  0.04720730
   0.35759059  0.94212121  0.33144683
   0.40597683  0.89897384  0.15386961
   0.16487475  0.85601098  0.22615174
   0.31057605  0.67187156  0.44791312
   0.06012890  0.62292907  0.42305679
   0.18853882  0.53219412  0.57154571
   0.30830188  0.75212768  0.79729418
   0.12877876  0.79352469  0.56741060
   0.36576576  1.02387897  0.79757849
   0.42631931  0.92852204  0.63060190
   0.17086541  0.97931125  0.69730870
   0.27679539  0.67144600 -0.02303655
   0.01735721  0.66637816  0.90973379
   0.60796228  0.06969647  0.10058020
   0.82541873  0.21711285  0.27543596
   0.62254208  0.30680321  0.03982644
   0.94505129  0.44466846  0.34621212
   0.03164295  0.33516138  0.20122563
   0.77700480  0.42585920  0.15924557
   0.75213160  0.16081856  0.44839093
   0.50334504  0.12349829  0.42499104
   0.59901912  0.10390457  0.59592371
   0.84424495  0.23025769  0.79394233
   0.56234546  0.34979459  0.53295180
   0.86923060  0.46524076  0.84285664
   0.98131793  0.46940156  0.66601980
   0.70913106  0.43527513  0.68224110
   0.80604076  0.12686764  0.97200387
   0.56378045  0.12935856  0.91856033
   0.55784539  0.58573138  0.08632006
   0.82476086  0.68491190  0.30275360
   0.61374115  0.83388110  0.04018851
   0.83705252  0.95953921  0.33823481
   0.89383055  0.85162369  0.16486745
   0.64105118  0.86223459  0.22697582
   0.80076653  0.57272213  0.46812802
   0.55247381  0.55466345  0.38409203
   0.59435465  0.61273298  0.57015430
   0.80267513  0.72278638  0.79267189
   0.62706511  0.80401856  0.43019067
   0.88266724  0.96096323  0.83175965
   0.93168467  0.86429807  0.66673451
   0.66548706  0.93602356  0.72601854
   0.77104310  0.62222716  0.97924136
   0.52181132  0.66663795  0.90909614
   0.66226273  0.84645543  0.57692370
   0.70148284  0.84084116  0.46316360
   0.88125845  0.23501026  0.09199488
   1.04288201  0.41615058  0.32599766
   0.32798363  0.15659932  0.62461728
   0.27629983  0.70778257  0.74146889
  -0.02228813  1.11388078  0.11937161
   0.22885324  1.06772768  0.05450099
   0.63389086  0.39313401  0.84025623
   0.87711143  0.44619109  0.65347765
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831331    0.530944    0.019830
    -0.000000    9.838098    0.208013
    -0.000000    0.000000   14.185388
   Si   O    H 
    32    64    10
Direct configuration=  1267
   0.17802502  0.17147136 -0.01931163
   0.37037440  0.08703268  0.37290639
   0.11966121  0.40436387  0.11271956
   0.36664952  0.34704521  0.24787106
   0.09988654  0.14409861  0.48103011
   0.42131939  0.14189173  0.86011027
   0.12185748  0.40604929  0.62332988
   0.35284810  0.39439152  0.75715531
   0.11359461  0.68333532 -0.00188952
   0.39333620  0.58810180  0.36081386
   0.05069538  0.89312203  0.15121009
   0.32630819  0.84306318  0.24791159
   0.17253100  0.66190877  0.50549911
   0.35839996  0.64625325  0.87921760
   0.05877476  0.92856012  0.62083837
   0.31977761  1.03745191  0.68969846
   0.65217446  0.15537754  1.01048206
   0.85121072  0.11511845  0.36348920
   0.61818050  0.42704533  0.12464114
   0.87799355  0.29864026  0.18705929
   0.60330918  0.19474042  0.49751522
   0.89724123  0.11785109  0.87438249
   0.56975881  0.46809461  0.61985105
   0.75764046  0.37841811  0.78844623
   0.61449137  0.68054410 -0.00385182
   0.91105339  0.58805324  0.38286401
   0.55673762  0.92394317  0.12599878
   0.79385208  0.84056990  0.26124595
   0.64198186  0.63841555  0.46323457
   0.86962877  0.62390461  0.88176651
   0.58441278  0.94375388  0.63026758
   0.82020870  0.87255907  0.75179182
   0.04265423  0.05808426  0.16446494
   0.35730050  0.19529654  0.28589596
   0.12240937  0.31348388  0.02104920
   0.33807336  0.44514104  0.33775878
   0.51870332  0.37080538  0.20586934
   0.27140903  0.39087686  0.15978679
   0.25133535  0.10137937  0.45062246
  -0.00436738  0.16494418  0.39274609
   0.01201543  0.04989656  0.54780898
   0.44097037  0.26099144  0.78008539
   0.12741112  0.27168448  0.55195248
   0.34453708  0.48152798  0.84961583
   0.41981166  0.48317827  0.66589559
   0.20441033  0.36286324  0.72098933
   0.31026603  0.21921811 -0.08127616
   0.05382769  0.11888848  0.91832094
   0.07563876  0.57122298  0.08682757
   0.37539075  0.68809442  0.26354080
   0.08575281  0.83500864  0.04747499
   0.35656523  0.94207186  0.33060500
   0.40416466  0.90063802  0.15228352
   0.16433730  0.85697051  0.22540032
   0.31288189  0.67244958  0.44763889
   0.06052811  0.62339631  0.42265497
   0.18814324  0.53340810  0.57162039
   0.30867351  0.75039955  0.79713741
   0.12915475  0.79340912  0.56777927
   0.36582871  1.02391780  0.79664270
   0.42599655  0.92865532  0.63016234
   0.17018350  0.97952739  0.69793775
   0.27698634  0.67291888 -0.02337412
   0.01899302  0.66709672  0.90854650
   0.60821107  0.06803953  0.10098687
   0.82264570  0.21716336  0.27525749
   0.62410333  0.30653965  0.03933611
   0.94560944  0.44460705  0.34581461
   0.03134514  0.33498975  0.20095522
   0.77696190  0.42696067  0.15884778
   0.75059875  0.16057356  0.44788998
   0.50249966  0.12379512  0.42469134
   0.59943351  0.10366229  0.59665476
   0.84424037  0.22921205  0.79447483
   0.56202733  0.35231612  0.53248950
   0.86762788  0.46224755  0.84428558
   0.98062311  0.46986221  0.66488124
   0.70988762  0.43569501  0.68295676
   0.80514113  0.12836490  0.97117528
   0.56540507  0.12860360  0.91836886
   0.55834374  0.58463960  0.08683979
   0.82479350  0.68410411  0.30290453
   0.61437324  0.83284893  0.04043660
   0.83651725  0.95976339  0.33799433
   0.89328175  0.85352741  0.16431090
   0.64138438  0.86307898  0.22652866
   0.79984572  0.57570898  0.46710393
   0.55275644  0.55481968  0.38479566
   0.59427362  0.61143598  0.57008972
   0.80206432  0.72222403  0.79306079
   0.62812189  0.80260494  0.43059263
   0.88403076  0.96038884  0.83279817
   0.93211681  0.86435919  0.66750121
   0.66712599  0.93570957  0.72643426
   0.77156664  0.62278831  0.97917081
   0.52011330  0.66765583  0.90881291
   0.66131626  0.83997474  0.56847786
   0.69999981  0.83898650  0.46618031
   0.88413807  0.22903616  0.08823070
   1.04245152  0.41178177  0.32426099
   0.32336562  0.16106748  0.62556014
   0.27957462  0.70420000  0.74094397
  -0.01321412  1.11238645  0.11829793
   0.23274444  1.06554916  0.05007134
   0.62905992  0.39123603  0.83866342
   0.88920106  0.45507296  0.65390366
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830388    0.535069    0.021100
    -0.000000    9.839013    0.207500
    -0.000000    0.000000   14.184571
   Si   O    H 
    32    64    10
Direct configuration=  1268
   0.17613376  0.17061368 -0.01946123
   0.36925603  0.08725394  0.37298027
   0.12093201  0.40494657  0.11271307
   0.36756026  0.34768766  0.24652240
   0.09945973  0.14468844  0.48160822
   0.42084836  0.14115748  0.86030415
   0.12218123  0.40556647  0.62355062
   0.35413931  0.39384347  0.75686634
   0.11307052  0.68231365 -0.00161464
   0.39294261  0.58898539  0.36075060
   0.05105202  0.89412483  0.15150517
   0.32624564  0.84302422  0.24654410
   0.17216727  0.66176899  0.50540910
   0.35840788  0.64640042  0.87970132
   0.05935634  0.92837917  0.62134960
   0.31947728  1.03598770  0.68917625
   0.65254222  0.15548991  1.01157158
   0.85162644  0.11426269  0.36338848
   0.61800782  0.42795569  0.12503119
   0.87776595  0.29882229  0.18674291
   0.60410773  0.19514163  0.49803356
   0.89715388  0.11674011  0.87396350
   0.57049576  0.46853878  0.61966135
   0.75590137  0.37760411  0.78850275
   0.61394036  0.67999738 -0.00480227
   0.91174955  0.58797712  0.38299258
   0.55728394  0.92125477  0.12632945
   0.79432441  0.84182682  0.26147461
   0.64253351  0.63729011  0.46389580
   0.86822849  0.62330988  0.88138292
   0.58505779  0.94419044  0.62990108
   0.82149691  0.87288890  0.75217587
   0.04169322  0.05742342  0.16488541
   0.35648092  0.19140150  0.28557397
   0.12322211  0.31306307  0.01988964
   0.33631371  0.44591202  0.33877632
   0.51721223  0.37174283  0.20606518
   0.26909200  0.39040412  0.15915389
   0.25115128  0.10100360  0.45113765
  -0.00404231  0.16506526  0.39250576
   0.01132764  0.05008349  0.54818534
   0.44267651  0.26077594  0.77939153
   0.12504958  0.27146146  0.55188939
   0.34529855  0.48134916  0.84895713
   0.42005284  0.48209146  0.66585128
   0.20507103  0.36478169  0.72208719
   0.31046369  0.22033634 -0.08068216
   0.05453972  0.11712881  0.91781450
   0.07438508  0.57006094  0.08879489
   0.37817819  0.68939991  0.26339535
   0.08606259  0.83423524  0.04815708
   0.35581683  0.94159189  0.32989701
   0.40252442  0.90237080  0.15139922
   0.16421307  0.85745969  0.22462654
   0.31491270  0.67218957  0.44706476
   0.06054456  0.62351286  0.42269491
   0.18860198  0.53337226  0.57207191
   0.30884993  0.74794865  0.79633283
   0.12934908  0.79353177  0.56821281
   0.36616980  1.02354663  0.79610379
   0.42529670  0.92891280  0.62963176
   0.16894080  0.97924781  0.69840171
   0.27761435  0.67503008 -0.02410228
   0.02080260  0.66780974  0.90715259
   0.60767674  0.06738714  0.10092258
   0.82028842  0.21659291  0.27542444
   0.62547063  0.30771139  0.03872960
   0.94690167  0.44340472  0.34514970
   0.03155949  0.33551345  0.19988007
   0.77775265  0.42887479  0.15854887
   0.74795859  0.16107118  0.44766690
   0.50144398  0.12301489  0.42438676
   0.60013650  0.10359268  0.59743820
   0.84483562  0.22775231  0.79505141
   0.56215891  0.35475119  0.53273709
   0.86696576  0.46047239  0.84537211
   0.98021709  0.47029355  0.66438127
   0.71000764  0.43638276  0.68341413
   0.80421643  0.12872856  0.97043388
   0.56660856  0.12731375  0.91785825
   0.55876569  0.58371983  0.08751137
   0.82495252  0.68435098  0.30257831
   0.61518286  0.83185069  0.04000313
   0.83670013  0.95892857  0.33745104
   0.89301717  0.85559004  0.16398109
   0.64166961  0.86405680  0.22632900
   0.79913054  0.57814011  0.46613773
   0.55322663  0.55587784  0.38574644
   0.59412944  0.60962957  0.57006322
   0.80108709  0.72197952  0.79364237
   0.62846298  0.80102076  0.43082348
   0.88559685  0.96069666  0.83364611
   0.93151733  0.86365419  0.66902987
   0.66847543  0.93520032  0.72720115
   0.77233309  0.62332104  0.97893856
   0.51812285  0.66928323  0.90810265
   0.65874382  0.83631466  0.56278311
   0.69891018  0.83879327  0.46950939
   0.88412647  0.22444290  0.08976584
   1.03005744  0.40742164  0.32490217
   0.31851986  0.16428186  0.62930020
   0.28001581  0.70373621  0.73825771
  -0.00624340  1.10906307  0.11657034
   0.23446481  1.06590447  0.04434321
   0.62675483  0.39281976  0.83804352
   0.89623266  0.46154868  0.65327390
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829680    0.539142    0.021844
    -0.000000    9.839935    0.206395
    -0.000000    0.000000   14.183727
   Si   O    H 
    32    64    10
Direct configuration=  1269
   0.17438633  0.17000905 -0.01965337
   0.36865335  0.08733129  0.37240182
   0.12200250  0.40514494  0.11239808
   0.36861043  0.34808636  0.24591037
   0.09889031  0.14569605  0.48195407
   0.42099292  0.14017313  0.86003934
   0.12232931  0.40490917  0.62368856
   0.35490578  0.39403013  0.75629254
   0.11259659  0.68060465 -0.00126348
   0.39278870  0.59048854  0.36061069
   0.05112248  0.89509082  0.15123533
   0.32652933  0.84285118  0.24501702
   0.17189950  0.66178623  0.50533729
   0.35872358  0.64686610  0.88037001
   0.05989081  0.92835044  0.62192881
   0.31929213  1.03394576  0.68810337
   0.65279420  0.15553843  1.01221798
   0.85203226  0.11386898  0.36303361
   0.61783879  0.42899575  0.12505598
   0.87718610  0.29867450  0.18648568
   0.60465603  0.19495838  0.49875900
   0.89802084  0.11548356  0.87365262
   0.57139160  0.46809304  0.61917885
   0.75466647  0.37712181  0.78841325
   0.61343724  0.67947858 -0.00516137
   0.91166768  0.58785473  0.38334568
   0.55861640  0.91861738  0.12709274
   0.79460028  0.84341204  0.26184501
   0.64265562  0.63600983  0.46404248
   0.86720602  0.62273857  0.88103284
   0.58564314  0.94405321  0.62921773
   0.82187813  0.87208444  0.75273508
   0.04184497  0.05720916  0.16542761
   0.35616835  0.18826938  0.28506898
   0.12331495  0.31337093  0.01861478
   0.33521080  0.44619724  0.33903397
   0.51547988  0.37334496  0.20636738
   0.26834469  0.38973690  0.15812648
   0.25063328  0.10045122  0.45202351
  -0.00289672  0.16604987  0.39248718
   0.00988310  0.04926922  0.54931946
   0.44438971  0.25965161  0.77846387
   0.12271644  0.27128060  0.55187132
   0.34632295  0.48176143  0.84828894
   0.42203214  0.48061619  0.66581689
   0.20516225  0.36718697  0.72294203
   0.30929577  0.22104879 -0.07989560
   0.05538204  0.11535288  0.91784483
   0.07243792  0.56825320  0.09022492
   0.38014225  0.69035067  0.26402660
   0.08608993  0.83412868  0.04909088
   0.35562610  0.94208613  0.32938750
   0.40034880  0.90339117  0.15041921
   0.16458376  0.85739175  0.22452541
   0.31695247  0.67242195  0.44676546
   0.06096735  0.62380293  0.42264800
   0.18885263  0.53291156  0.57267194
   0.30830447  0.74463712  0.79553983
   0.12927291  0.79396628  0.56834709
   0.36616137  1.02345303  0.79591010
   0.42367672  0.92944742  0.62968956
   0.16722998  0.97985776  0.69863760
   0.27779052  0.67660192 -0.02402283
   0.02143054  0.66818049  0.90577354
   0.60689674  0.06715481  0.10058023
   0.81766392  0.21546506  0.27519866
   0.62656860  0.30957141  0.03816715
   0.94780353  0.44201584  0.34458053
   0.03213337  0.33617580  0.19842977
   0.77834311  0.43104810  0.15883431
   0.74686158  0.16111986  0.44727552
   0.50081376  0.12222974  0.42419865
   0.60104112  0.10386772  0.59750867
   0.84470335  0.22610034  0.79541554
   0.56283659  0.35660210  0.53306709
   0.86639806  0.45916814  0.84686826
   0.98171119  0.47103467  0.66361994
   0.70970410  0.43644261  0.68391579
   0.80392784  0.12780733  0.96998157
   0.56699377  0.12622481  0.91720344
   0.56010007  0.58179721  0.08813716
   0.82409452  0.68451907  0.30242452
   0.61608454  0.83065615  0.03982547
   0.83672448  0.95766633  0.33710599
   0.89286169  0.85732747  0.16441191
   0.64167107  0.86540079  0.22603835
   0.79863939  0.57972763  0.46526831
   0.55422914  0.55656928  0.38634356
   0.59371625  0.60897359  0.57035414
   0.80015891  0.72153021  0.79449353
   0.62882524  0.79963970  0.43139782
   0.88654284  0.96120663  0.83430378
   0.93094475  0.86324846  0.66991824
   0.67049331  0.93539365  0.72822668
   0.77322062  0.62492031  0.97814262
   0.51636159  0.67064169  0.90758098
   0.65173396  0.84413397  0.56488781
   0.69477960  0.84104646  0.47327689
   0.88256939  0.22392171  0.09249614
   1.02497118  0.39807168  0.32391041
   0.31545266  0.16234867  0.63249098
   0.28305071  0.70538443  0.73933651
  -0.00112061  1.11036638  0.11314262
   0.23362669  1.07093142  0.03747360
   0.62402830  0.39219936  0.83941901
   0.87217215  0.46353197  0.64572677
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829433    0.543590    0.022604
    -0.000000    9.840717    0.205325
    -0.000000    0.000000   14.183004
   Si   O    H 
    32    64    10
Direct configuration=  1270
   0.17324744  0.16997557 -0.01992425
   0.36781746  0.08726400  0.37196455
   0.12312662  0.40561206  0.11250005
   0.36907183  0.34864699  0.24569069
   0.09847191  0.14648207  0.48223619
   0.42101956  0.13939430  0.85946968
   0.12239625  0.40434046  0.62346490
   0.35564550  0.39453873  0.75561895
   0.11254516  0.67968341 -0.00003500
   0.39262361  0.59228060  0.36033608
   0.05040912  0.89679494  0.15054444
   0.32693884  0.84313944  0.24309792
   0.17208890  0.66195225  0.50524829
   0.35898049  0.64705328  0.88120027
   0.06002243  0.92791331  0.62242099
   0.31946634  1.03225105  0.68647468
   0.65308597  0.15574881  1.01267326
   0.85251130  0.11375553  0.36301240
   0.61783933  0.42974329  0.12465479
   0.87636102  0.29795895  0.18620673
   0.60460933  0.19511849  0.49932628
   0.89885485  0.11412981  0.87303858
   0.57211306  0.46819458  0.61897456
   0.75370961  0.37698510  0.78839731
   0.61333553  0.67937010 -0.00493640
   0.91176548  0.58748217  0.38346656
   0.56034288  0.91610551  0.12828543
   0.79536116  0.84497367  0.26226228
   0.64247266  0.63515039  0.46406778
   0.86650403  0.62218647  0.88087841
   0.58699576  0.94392685  0.62875450
   0.82228556  0.87133850  0.75316323
   0.04117050  0.05699829  0.16601743
   0.35558736  0.18699194  0.28478841
   0.12303695  0.31449813  0.01759147
   0.33340409  0.44563533  0.33909139
   0.51579519  0.37430464  0.20660415
   0.26760355  0.38897315  0.15731621
   0.24989803  0.09929898  0.45318831
  -0.00062941  0.16674467  0.39286345
   0.00899231  0.04924431  0.55035962
   0.44681536  0.25840116  0.77800705
   0.12037691  0.27190869  0.55185904
   0.34704673  0.48268525  0.84829534
   0.42376980  0.47922900  0.66566979
   0.20497414  0.36913740  0.72401843
   0.30800568  0.22143298 -0.07891194
   0.05580310  0.11392134  0.91822448
   0.07118330  0.56610695  0.09112424
   0.38237894  0.69059480  0.26444391
   0.08706898  0.83383609  0.04948164
   0.35585304  0.94202690  0.32914267
   0.39850719  0.90522161  0.14919114
   0.16537639  0.85684946  0.22456723
   0.31757209  0.67223621  0.44637564
   0.06041488  0.62453155  0.42290969
   0.18937455  0.53165505  0.57281850
   0.30771859  0.74104460  0.79528486
   0.12896165  0.79416122  0.56813493
   0.36597210  1.02345068  0.79600995
   0.42108489  0.93028713  0.62918421
   0.16566214  0.98060337  0.69846767
   0.27703063  0.67820527 -0.02353466
   0.02231512  0.66868708  0.90436704
   0.60554022  0.06692619  0.10040157
   0.81506369  0.21537525  0.27446002
   0.62723496  0.31158859  0.03816142
   0.94742878  0.44127783  0.34373263
   0.03288647  0.33634148  0.19704824
   0.77871551  0.43289578  0.15919346
   0.74582575  0.16128545  0.44660797
   0.50066454  0.12074126  0.42415149
   0.60164877  0.10413376  0.59731482
   0.84354685  0.22448687  0.79593415
   0.56428687  0.35865202  0.53340367
   0.86658205  0.45836682  0.84820001
   0.98179787  0.47161261  0.66221752
   0.70895161  0.43618614  0.68452078
   0.80438075  0.12759505  0.96957819
   0.56650335  0.12487041  0.91629706
   0.56098689  0.58025072  0.08880219
   0.82409776  0.68449629  0.30248735
   0.61728948  0.82949781  0.03960004
   0.83641179  0.95563201  0.33676587
   0.89337008  0.85769825  0.16508967
   0.64118663  0.86629657  0.22553611
   0.79896005  0.58044655  0.46482146
   0.55548570  0.55731421  0.38681445
   0.59378170  0.60824929  0.57017122
   0.79982799  0.72027022  0.79573279
   0.62908089  0.79812256  0.43153156
   0.88831962  0.96104405  0.83491528
   0.92949309  0.86358970  0.67060408
   0.67219349  0.93608859  0.72914189
   0.77357373  0.62582853  0.97716476
   0.51459293  0.67151082  0.90625326
   0.64208646  0.85347241  0.56870863
   0.68808325  0.84450883  0.47358218
   0.87900083  0.22560612  0.09619507
   1.03415644  0.38379184  0.31876648
   0.31392453  0.16301919  0.63524510
   0.28411135  0.70478055  0.73414951
   0.00184636  1.11372695  0.11033307
   0.23599704  1.06701979  0.03646373
   0.62307860  0.38784273  0.84017773
   0.86525722  0.46407812  0.63985856
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829686    0.547697    0.022968
    -0.000000    9.841193    0.204449
    -0.000000    0.000000   14.182318
   Si   O    H 
    32    64    10
Direct configuration=  1271
   0.17208093  0.16957853 -0.02022596
   0.36636630  0.08698316  0.37186046
   0.12424190  0.40592291  0.11240709
   0.36947356  0.34875496  0.24536562
   0.09804293  0.14720621  0.48248337
   0.42069995  0.13862790  0.85916347
   0.12191691  0.40312712  0.62344118
   0.35658754  0.39528611  0.75482449
   0.11172622  0.67951335  0.00135228
   0.39262641  0.59426371  0.36000627
   0.04916859  0.89808523  0.14938418
   0.32715883  0.84315587  0.24137340
   0.17242740  0.66290275  0.50511241
   0.35947770  0.64744964  0.88191628
   0.06090669  0.92734136  0.62272843
   0.31869119  1.03150088  0.68491359
   0.65364410  0.15585881  1.01258989
   0.85322914  0.11381210  0.36297499
   0.61801435  0.43034484  0.12464843
   0.87581925  0.29686187  0.18613885
   0.60441676  0.19586652  0.49981060
   0.89943627  0.11311954  0.87264948
   0.57384110  0.46833919  0.61910180
   0.75278612  0.37711042  0.78868480
   0.61329511  0.67876400 -0.00444250
   0.91177976  0.58755335  0.38291625
   0.56186915  0.91363096  0.12920526
   0.79585100  0.84677760  0.26233686
   0.64270386  0.63456900  0.46353320
   0.86635437  0.62176794  0.88092359
   0.58810421  0.94412632  0.62884638
   0.82238326  0.87127715  0.75396245
   0.04012060  0.05755585  0.16586717
   0.35542467  0.18747678  0.28344191
   0.12276810  0.31646396  0.01682371
   0.33233755  0.44504106  0.33925127
   0.51671412  0.37482186  0.20693188
   0.26713488  0.38744019  0.15656128
   0.25045288  0.09745214  0.45460248
   0.00101136  0.16817779  0.39310047
   0.00915599  0.04930935  0.55117534
   0.44999826  0.25674107  0.77714010
   0.11808039  0.27288531  0.55171156
   0.34782420  0.48298102  0.84832956
   0.42594183  0.47741898  0.66571715
   0.20477283  0.37054670  0.72481920
   0.30663036  0.22224956 -0.07801906
   0.05520874  0.11259643  0.91855640
   0.06952162  0.56435909  0.09179957
   0.38520701  0.69036247  0.26515521
   0.08737559  0.83342574  0.04971340
   0.35618508  0.94068414  0.32861358
   0.39715811  0.90681557  0.14774310
   0.16679660  0.85569751  0.22514114
   0.31782717  0.67223552  0.44645094
   0.06035724  0.62587538  0.42302812
   0.19002729  0.53096672  0.57325383
   0.30733157  0.73870471  0.79474830
   0.12844632  0.79435687  0.56802302
   0.36613850  1.02341329  0.79656482
   0.41858913  0.93146695  0.62877593
   0.16409913  0.98140335  0.69830816
   0.27680645  0.67981613 -0.02270578
   0.02265580  0.66836760  0.90334982
   0.60399035  0.06763008  0.10031226
   0.81215017  0.21481785  0.27387240
   0.62797582  0.31383691  0.03808630
   0.94751934  0.44028312  0.34232544
   0.03393528  0.33678832  0.19559061
   0.77927368  0.43417598  0.15949815
   0.74485273  0.16180151  0.44635493
   0.50088186  0.11987048  0.42430256
   0.60277637  0.10406386  0.59683902
   0.84232180  0.22255779  0.79589158
   0.56573305  0.36038300  0.53386055
   0.86646951  0.45866712  0.84951959
   0.98162460  0.47234172  0.66058947
   0.70864905  0.43488243  0.68569405
   0.80529581  0.12826132  0.96928034
   0.56559070  0.12309539  0.91535467
   0.56127460  0.57907967  0.08974561
   0.82351638  0.68453586  0.30294634
   0.61795711  0.82803782  0.03915056
   0.83604588  0.95418577  0.33642699
   0.89359130  0.85787393  0.16623773
   0.64073892  0.86705597  0.22487179
   0.79979903  0.58150171  0.46497861
   0.55637034  0.55905191  0.38734050
   0.59293396  0.60815731  0.56994924
   0.79931210  0.71838283  0.79706556
   0.62966247  0.79652247  0.43209411
   0.89027778  0.96055700  0.83577603
   0.92747689  0.86412926  0.67122722
   0.67332208  0.93688682  0.72926788
   0.77314678  0.62775521  0.97602479
   0.51276215  0.67211050  0.90528548
   0.63894512  0.85732745  0.56929289
   0.68291938  0.84687057  0.47449893
   0.87798033  0.22601773  0.10010857
   1.03347160  0.38001250  0.31706115
   0.31345256  0.16516771  0.63928177
   0.28358689  0.70553600  0.72930616
   0.00197537  1.11370789  0.11290466
   0.23909371  1.05950029  0.03854212
   0.62331931  0.38068884  0.84188600
   0.87571732  0.46511969  0.63545504
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830143    0.551030    0.023342
    -0.000000    9.841536    0.203110
    -0.000000    0.000000   14.181368
   Si   O    H 
    32    64    10
Direct configuration=  1272
   0.17161295  0.16929200 -0.02080305
   0.36454558  0.08709781  0.37178198
   0.12527205  0.40581896  0.11210437
   0.36999715  0.34818643  0.24511821
   0.09729188  0.14792567  0.48238496
   0.42062363  0.13846404  0.85943529
   0.12135960  0.40223237  0.62321299
   0.35812008  0.39582530  0.75390427
   0.11083019  0.67930144  0.00274437
   0.39259268  0.59585123  0.35971119
   0.04750219  0.89931020  0.14846230
   0.32752545  0.84281825  0.23998221
   0.17276758  0.66341751  0.50496659
   0.36060975  0.64780787  0.88259462
   0.06117784  0.92700592  0.62261549
   0.31779716  1.03154225  0.68400581
   0.65389767  0.15612054  1.01231273
   0.85294284  0.11355594  0.36319275
   0.61819706  0.43081102  0.12479610
   0.87588723  0.29575155  0.18650589
   0.60388043  0.19638003  0.50082742
   0.90066734  0.11216019  0.87289674
   0.57586639  0.46808366  0.61912003
   0.75201248  0.37753688  0.78891111
   0.61373500  0.67780162 -0.00389230
   0.91158541  0.58768526  0.38252510
   0.56288474  0.91113086  0.12956974
   0.79621102  0.84851074  0.26220882
   0.64287780  0.63395500  0.46311049
   0.86640811  0.62071882  0.88070516
   0.58934339  0.94435825  0.62909201
   0.82256378  0.87143823  0.75539507
   0.03977068  0.05857551  0.16584776
   0.35522293  0.18916133  0.28168112
   0.12262884  0.31864494  0.01634237
   0.33146844  0.44450084  0.33978758
   0.51812405  0.37525236  0.20766036
   0.26741611  0.38601125  0.15653121
   0.25092001  0.09605872  0.45544871
   0.00263351  0.16947506  0.39329116
   0.00902540  0.04927832  0.55200907
   0.45330293  0.25553020  0.77612270
   0.11575123  0.27420690  0.55150066
   0.34802233  0.48378157  0.84831200
   0.42688218  0.47577665  0.66593854
   0.20409174  0.37177549  0.72527023
   0.30543816  0.22267672 -0.07706218
   0.05456620  0.11193589  0.91852838
   0.06807984  0.56300200  0.09180715
   0.38747233  0.68965374  0.26632835
   0.08713334  0.83351332  0.04947604
   0.35561305  0.93972601  0.32787297
   0.39626855  0.90830378  0.14669285
   0.16753645  0.85473917  0.22568806
   0.31862342  0.67172088  0.44663512
   0.06030564  0.62760369  0.42361485
   0.19123894  0.53041107  0.57318224
   0.30641998  0.73598752  0.79360704
   0.12845641  0.79458740  0.56791816
   0.36634848  1.02277135  0.79658870
   0.41711201  0.93243596  0.62822181
   0.16266263  0.98216092  0.69793402
   0.27587537  0.68037527 -0.02121049
   0.02247454  0.66907901  0.90242452
   0.60222488  0.06863409  0.09960671
   0.80958675  0.21504198  0.27341426
   0.62824753  0.31697016  0.03866685
   0.94734431  0.43829553  0.34045995
   0.03476910  0.33688596  0.19419126
   0.77958566  0.43484586  0.16085257
   0.74313526  0.16233079  0.44566232
   0.50081730  0.11890155  0.42443678
   0.60362617  0.10459290  0.59632502
   0.84094304  0.22118255  0.79537143
   0.56725174  0.36108510  0.53373684
   0.86609982  0.45920631  0.85086273
   0.97981039  0.47318103  0.65903211
   0.70802428  0.43383964  0.68629987
   0.80643823  0.12858837  0.96945050
   0.56550531  0.12109243  0.91449378
   0.56105335  0.57776026  0.09017381
   0.82295434  0.68559805  0.30287261
   0.61769637  0.82656521  0.03822858
   0.83641446  0.95293025  0.33658818
   0.89330491  0.85823400  0.16725028
   0.64005837  0.86749519  0.22457124
   0.80024604  0.58309102  0.46510581
   0.55667834  0.55978095  0.38755681
   0.59222619  0.60892115  0.56963234
   0.79883851  0.71685880  0.79810370
   0.63089663  0.79548044  0.43303655
   0.89165146  0.96010403  0.83665467
   0.92574678  0.86471043  0.67149930
   0.67460120  0.93767917  0.72941310
   0.77255892  0.62979394  0.97485243
   0.51094476  0.67227749  0.90485113
   0.63974490  0.85152532  0.56272563
   0.68493370  0.85141094  0.47544028
   0.87730318  0.22576592  0.10255373
   1.02380187  0.38761719  0.31930378
   0.31173373  0.16720120  0.64226442
   0.28508732  0.71012764  0.72947368
   0.00376037  1.11658017  0.11670683
   0.23854842  1.05545295  0.04304801
   0.62295248  0.37271091  0.84440585
   0.90122921  0.46880764  0.63361325
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830703    0.554314    0.024196
    -0.000000    9.841810    0.201534
    -0.000000    0.000000   14.180306
   Si   O    H 
    32    64    10
Direct configuration=  1273
   0.17151844  0.16927394 -0.02117701
   0.36338817  0.08719062  0.37159314
   0.12579103  0.40624827  0.11203841
   0.37005882  0.34730687  0.24520591
   0.09732183  0.14833674  0.48255317
   0.42105039  0.13880656  0.85968392
   0.12081605  0.40129678  0.62321907
   0.35980362  0.39648012  0.75321040
   0.11036958  0.67898188  0.00414457
   0.39272438  0.59761027  0.35945735
   0.04589963  0.90038463  0.14733568
   0.32736841  0.84240898  0.23871188
   0.17261448  0.66314775  0.50488107
   0.36094595  0.64705761  0.88298083
   0.06127395  0.92680052  0.62245605
   0.31637396  1.03226810  0.68332058
   0.65412860  0.15660114  1.01193618
   0.85264769  0.11389870  0.36347388
   0.61869229  0.43204415  0.12495585
   0.87596246  0.29480303  0.18698915
   0.60313411  0.19693087  0.50130968
   0.90174547  0.11208902  0.87353548
   0.57758582  0.46834305  0.61890481
   0.75119468  0.37721736  0.78926381
   0.61408807  0.67663055 -0.00336253
   0.91139358  0.58769625  0.38195019
   0.56345483  0.90901039  0.12984619
   0.79675901  0.84945863  0.26183753
   0.64260063  0.63342767  0.46289844
   0.86665316  0.61917672  0.88089819
   0.58922875  0.94460078  0.62937912
   0.82231986  0.87164204  0.75681663
   0.03970259  0.05929501  0.16609302
   0.35510344  0.19063423  0.27993600
   0.12312100  0.32013160  0.01622621
   0.33023946  0.44558515  0.34021238
   0.52029721  0.37600128  0.20841809
   0.26817000  0.38501426  0.15667902
   0.25148721  0.09587729  0.45604035
   0.00408857  0.17083154  0.39306587
   0.00819613  0.04956447  0.55270196
   0.45514811  0.25465579  0.77524167
   0.11363797  0.27599375  0.55101864
   0.34837185  0.48434805  0.84908115
   0.42843356  0.47431605  0.66623059
   0.20314534  0.37345523  0.72509046
   0.30446518  0.22216466 -0.07625114
   0.05347754  0.11269118  0.91781508
   0.06706178  0.56200799  0.09151606
   0.38958768  0.68991580  0.26666317
   0.08703042  0.83351266  0.04920519
   0.35553745  0.93843297  0.32701155
   0.39563242  0.90949985  0.14560895
   0.16731021  0.85317012  0.22557904
   0.31900991  0.67155107  0.44706844
   0.05963346  0.62952197  0.42454520
   0.19251461  0.52933423  0.57315007
   0.30541881  0.73360594  0.79279712
   0.12894933  0.79474258  0.56783790
   0.36602696  1.02215160  0.79665946
   0.41620980  0.93243146  0.62750721
   0.16155649  0.98248098  0.69797657
   0.27423161  0.68107533 -0.01971662
   0.02294678  0.66995391  0.90174526
   0.60108671  0.06890762  0.09901130
   0.80744583  0.21513101  0.27398684
   0.62789128  0.31886074  0.03912012
   0.94672868  0.43678723  0.33931686
   0.03535321  0.33723020  0.19304045
   0.78004043  0.43507660  0.16218635
   0.74157319  0.16254465  0.44484530
   0.50033750  0.11822407  0.42420235
   0.60433144  0.10479778  0.59550975
   0.83916259  0.22084031  0.79419816
   0.56804401  0.36100126  0.53307880
   0.86493463  0.46004239  0.85189059
   0.98037252  0.47389200  0.65823583
   0.70737874  0.43213549  0.68679355
   0.80758263  0.12806258  0.96986560
   0.56429089  0.11941096  0.91391690
   0.56189908  0.57631717  0.09019865
   0.82251637  0.68658257  0.30313578
   0.61765737  0.82577839  0.03754559
   0.83660505  0.95181499  0.33713330
   0.89282912  0.85897728  0.16837343
   0.63946281  0.86825927  0.22498488
   0.80118432  0.58470969  0.46533950
   0.55704891  0.56117074  0.38760172
   0.59125738  0.61000206  0.57026428
   0.79801743  0.71589840  0.79856146
   0.63267251  0.79414860  0.43448057
   0.89375409  0.96021456  0.83711799
   0.92426099  0.86503215  0.67163708
   0.67581094  0.93859845  0.72918079
   0.77184297  0.63211339  0.97344078
   0.50950931  0.67226677  0.90475165
   0.64850714  0.84194973  0.56104277
   0.68556336  0.85053194  0.46986313
   0.87481832  0.22387663  0.10295931
   1.02167981  0.39201509  0.31940704
   0.31376173  0.16809417  0.64258228
   0.28910613  0.71265401  0.73010119
   0.00420991  1.12274269  0.11688992
   0.23425066  1.05587293  0.04551791
   0.62511885  0.36733373  0.84822652
   0.89681031  0.47191932  0.62340296
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831328    0.557055    0.024969
    -0.000000    9.841562    0.199784
    -0.000000    0.000000   14.179453
   Si   O    H 
    32    64    10
Direct configuration=  1274
   0.17128746  0.16948691 -0.02180928
   0.36261264  0.08742777  0.37137468
   0.12588299  0.40673813  0.11197153
   0.37005458  0.34650948  0.24567317
   0.09737725  0.14918578  0.48299645
   0.42156352  0.13930343  0.85940367
   0.12024710  0.40050111  0.62320292
   0.36123621  0.39688231  0.75282205
   0.10971190  0.67874498  0.00556513
   0.39333078  0.59917908  0.35953447
   0.04474231  0.90123169  0.14640885
   0.32760338  0.84206370  0.23707112
   0.17223525  0.66228008  0.50472210
   0.36084989  0.64549360  0.88280218
   0.06141647  0.92611754  0.62268777
   0.31532128  1.03270703  0.68338006
   0.65390501  0.15686238  1.01126700
   0.85244105  0.11518223  0.36400102
   0.61932658  0.43322403  0.12491332
   0.87626147  0.29432446  0.18734537
   0.60225362  0.19766328  0.50151831
   0.90287497  0.11105811  0.87411997
   0.57912590  0.46793868  0.61874620
   0.75055429  0.37725161  0.78990450
   0.61462944  0.67561819 -0.00249300
   0.91130704  0.58734660  0.38103147
   0.56332779  0.90752707  0.12980277
   0.79812377  0.84913808  0.26170515
   0.64241694  0.63276219  0.46333046
   0.86678578  0.61823582  0.88077529
   0.58915496  0.94422225  0.62977779
   0.82220715  0.87138751  0.75833956
   0.03930958  0.06053326  0.16628223
   0.35449105  0.19185687  0.27803156
   0.12259340  0.32198138  0.01545878
   0.32996884  0.44695306  0.34062410
   0.52170640  0.37592575  0.20939931
   0.26981040  0.38395093  0.15718374
   0.25128603  0.09609388  0.45658748
   0.00547725  0.17208314  0.39278492
   0.00773554  0.04989291  0.55319641
   0.45557859  0.25435490  0.77428808
   0.11134586  0.27822678  0.55042550
   0.34860042  0.48548866  0.84970144
   0.42951651  0.47372317  0.66665055
   0.20265222  0.37447030  0.72465515
   0.30348809  0.22160483 -0.07534666
   0.05209819  0.11394278  0.91728702
   0.06624204  0.56170795  0.09014351
   0.39130386  0.69171216  0.26698257
   0.08620967  0.83362019  0.04896916
   0.35581114  0.93731707  0.32628835
   0.39536923  0.90967681  0.14517199
   0.16634928  0.85122131  0.22541376
   0.31882791  0.67068381  0.44742767
   0.05827645  0.63153859  0.42549869
   0.19400824  0.52867241  0.57265295
   0.30415672  0.73224946  0.79212657
   0.12948540  0.79503875  0.56774936
   0.36533190  1.02121502  0.79648478
   0.41685299  0.93138647  0.62671419
   0.16080418  0.98313427  0.69790036
   0.27248333  0.68234655 -0.01806175
   0.02323861  0.66981498  0.90212080
   0.60028677  0.06952664  0.09875332
   0.80512810  0.21469132  0.27465686
   0.62739721  0.31983372  0.03938133
   0.94517032  0.43670286  0.33869955
   0.03486220  0.33701484  0.19148955
   0.78040262  0.43427425  0.16343658
   0.73976545  0.16229925  0.44403709
   0.49994329  0.11792255  0.42454535
   0.60517980  0.10487381  0.59438701
   0.83806623  0.22111048  0.79332727
   0.56944416  0.35939794  0.53230648
   0.86398812  0.46014143  0.85281601
   0.98103402  0.47429454  0.65787852
   0.70682429  0.43141234  0.68707807
   0.80837833  0.12832106  0.96979041
   0.56309827  0.11756150  0.91387412
   0.56313336  0.57543523  0.08936088
   0.82179137  0.68700471  0.30326409
   0.61700507  0.82454337  0.03728248
   0.83651457  0.95189964  0.33804127
   0.89228282  0.85949243  0.16989566
   0.63946028  0.86866567  0.22554232
   0.80285813  0.58618388  0.46550894
   0.55672326  0.56257479  0.38729313
   0.59004676  0.61137468  0.57068234
   0.79687368  0.71472183  0.79888815
   0.63476055  0.79256754  0.43513695
   0.89649038  0.96063444  0.83767098
   0.92330298  0.86494147  0.67196975
   0.67669466  0.93909431  0.72884404
   0.77174216  0.63470378  0.97258564
   0.50980336  0.67280306  0.90499312
   0.65663237  0.83943030  0.56728933
   0.68881317  0.85601363  0.46547920
   0.87266518  0.21696100  0.10035614
   1.03695060  0.38657399  0.31484026
   0.31345356  0.16737289  0.64412650
   0.29095052  0.71406058  0.73057736
   0.00186987  1.12833228  0.11574157
   0.23067986  1.06219225  0.04614551
   0.62808088  0.36228341  0.85083155
   0.89375338  0.47234694  0.61400422
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831999    0.560096    0.025841
    -0.000000    9.841384    0.197743
    -0.000000    0.000000   14.178657
   Si   O    H 
    32    64    10
Direct configuration=  1275
   0.17119479  0.16962060 -0.02221940
   0.36203951  0.08746859  0.37069968
   0.12594143  0.40682646  0.11149647
   0.37033167  0.34676932  0.24593284
   0.09690214  0.15035065  0.48363548
   0.42200665  0.14029915  0.85916177
   0.11960973  0.40004964  0.62306023
   0.36176964  0.39683729  0.75271781
   0.10846694  0.67867716  0.00686213
   0.39398628  0.59959178  0.35976644
   0.04395806  0.90149453  0.14556430
   0.32759997  0.84260333  0.23564749
   0.17126933  0.66170681  0.50440783
   0.35982985  0.64347608  0.88244677
   0.06086418  0.92455211  0.62282084
   0.31443589  1.03282302  0.68386630
   0.65423498  0.15688024  1.01051038
   0.85261613  0.11686415  0.36412274
   0.62077342  0.43379781  0.12501244
   0.87661032  0.29430757  0.18783306
   0.60119554  0.19857117  0.50166390
   0.90368874  0.11052379  0.87471823
   0.58009880  0.46692617  0.61860058
   0.75042018  0.37662215  0.79096764
   0.61534841  0.67448954 -0.00149595
   0.91127786  0.58772517  0.38021475
   0.56364296  0.90645607  0.12978361
   0.79862927  0.84793035  0.26165572
   0.64268762  0.63243099  0.46361233
   0.86649894  0.61762733  0.88041668
   0.58928964  0.94379955  0.63023809
   0.82223960  0.87161810  0.75978573
   0.03933398  0.06196422  0.16702349
   0.35366937  0.19239607  0.27694170
   0.12181008  0.32296734  0.01468270
   0.33042087  0.44776375  0.34116181
   0.52354909  0.37609853  0.21050845
   0.27184227  0.38235103  0.15798544
   0.25089692  0.09641637  0.45680453
   0.00602087  0.17373877  0.39230175
   0.00787761  0.05031477  0.55344624
   0.45668672  0.25357585  0.77305712
   0.10935587  0.27995281  0.55000543
   0.34898745  0.48691641  0.85004015
   0.43083544  0.47310075  0.66698575
   0.20240483  0.37622651  0.72387778
   0.30285315  0.22094868 -0.07469350
   0.05110716  0.11565048  0.91695526
   0.06590304  0.56235523  0.08865426
   0.39251988  0.69392963  0.26688304
   0.08531998  0.83370882  0.04843131
   0.35694140  0.93634889  0.32611089
   0.39555222  0.91003899  0.14472940
   0.16479530  0.84904736  0.22513249
   0.31867863  0.66964363  0.44796263
   0.05670805  0.63361981  0.42592259
   0.19518056  0.52845853  0.57190527
   0.30379086  0.73093800  0.79160999
   0.13025543  0.79511744  0.56765545
   0.36539361  1.02036715  0.79623998
   0.41830617  0.92952648  0.62612978
   0.16039544  0.98423278  0.69765613
   0.27118050  0.68299426 -0.01722154
   0.02340971  0.66999292  0.90268122
   0.59884112  0.06925676  0.09914459
   0.80217700  0.21340452  0.27507340
   0.62688489  0.32126968  0.04000247
   0.94396969  0.43625911  0.33810340
   0.03437339  0.33655232  0.18970175
   0.78055105  0.43330139  0.16483814
   0.73827670  0.16170632  0.44323128
   0.49994942  0.11827364  0.42508647
   0.60644192  0.10489617  0.59381165
   0.83782192  0.22177227  0.79212528
   0.57185833  0.35745186  0.53226336
   0.86359988  0.45982473  0.85317612
   0.98001657  0.47434613  0.65726954
   0.70620308  0.43107257  0.68695303
   0.80872518  0.12865146  0.96922916
   0.56253486  0.11558104  0.91415594
   0.56394262  0.57508136  0.08784326
   0.82173745  0.68782019  0.30317651
   0.61604816  0.82349544  0.03695083
   0.83631213  0.95236255  0.33901594
   0.89138206  0.86034603  0.17065218
   0.63954273  0.86892100  0.22611693
   0.80405672  0.58727970  0.46587293
   0.55613475  0.56338692  0.38654756
   0.58874954  0.61263199  0.57132422
   0.79528434  0.71394891  0.79854652
   0.63723579  0.79141288  0.43618367
   0.89864441  0.96139100  0.83761842
   0.92324266  0.86581482  0.67217474
   0.67688401  0.93948598  0.72856232
   0.77106832  0.63793700  0.97126175
   0.51127844  0.67392793  0.90536318
   0.65967186  0.84679199  0.57746975
   0.68922249  0.85978881  0.46401854
   0.86978795  0.21291498  0.09751043
   1.04004149  0.39153405  0.31218863
   0.31446707  0.16913267  0.64485047
   0.28960119  0.71024891  0.72382550
  -0.00151287  1.12785224  0.11756494
   0.22499121  1.06938189  0.04770101
   0.63193673  0.35901284  0.85166002
   0.90036428  0.47213084  0.61404392
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833061    0.563081    0.026631
    -0.000000    9.840813    0.195226
    -0.000000    0.000000   14.178218
   Si   O    H 
    32    64    10
Direct configuration=  1276
   0.17100796  0.16899778 -0.02238698
   0.36195753  0.08719804  0.37000431
   0.12567518  0.40710259  0.11078967
   0.37079398  0.34740231  0.24608698
   0.09661369  0.15203182  0.48423295
   0.42218790  0.14117696  0.85932972
   0.11892194  0.40000330  0.62297667
   0.36237224  0.39679205  0.75297461
   0.10774789  0.67791885  0.00803714
   0.39425130  0.60010246  0.36028233
   0.04379087  0.90146174  0.14524010
   0.32740711  0.84284050  0.23457594
   0.17020095  0.66103315  0.50367041
   0.35871578  0.64179737  0.88193829
   0.06002935  0.92312658  0.62268546
   0.31406431  1.03298844  0.68497577
   0.65440818  0.15679343  1.00954110
   0.85311134  0.11845260  0.36416760
   0.62210123  0.43384218  0.12570481
   0.87668047  0.29451262  0.18833938
   0.59983830  0.19989659  0.50159034
   0.90388648  0.11046272  0.87548315
   0.58004364  0.46574799  0.61864230
   0.75116304  0.37484692  0.79241024
   0.61539034  0.67353534 -0.00054661
   0.91092601  0.58797034  0.37955337
   0.56338893  0.90547236  0.12934663
   0.79928303  0.84625466  0.26173710
   0.64261502  0.63201156  0.46399712
   0.86614505  0.61707563  0.88030171
   0.58950188  0.94418977  0.63014987
   0.82268004  0.87143785  0.76113779
   0.03902237  0.06462963  0.16714506
   0.35228921  0.19212321  0.27611479
   0.12063764  0.32408008  0.01426993
   0.33007528  0.44798389  0.34157360
   0.52444301  0.37725230  0.21135492
   0.27344082  0.38128797  0.15839770
   0.24982861  0.09638793  0.45696192
   0.00649068  0.17421959  0.39181375
   0.00736445  0.05126592  0.55405070
   0.45790571  0.25313227  0.77203571
   0.10770150  0.28085650  0.54971241
   0.34924056  0.48850188  0.85013189
   0.43252112  0.47274391  0.66711568
   0.20296051  0.37742004  0.72281089
   0.30328226  0.22015932 -0.07450911
   0.05063906  0.11683180  0.91648697
   0.06550943  0.56350682  0.08708166
   0.39312740  0.69607080  0.26664702
   0.08414076  0.83269265  0.04805013
   0.35739626  0.93513663  0.32633624
   0.39661729  0.90914728  0.14383201
   0.16304556  0.84670657  0.22461193
   0.31894412  0.66857690  0.44873447
   0.05496017  0.63541973  0.42675290
   0.19558419  0.52819174  0.57140680
   0.30361086  0.72910994  0.79078979
   0.13134872  0.79563843  0.56779711
   0.36503015  1.01945658  0.79534376
   0.42078919  0.92791396  0.62515160
   0.15979612  0.98555913  0.69728703
   0.26999915  0.68364059 -0.01670845
   0.02376174  0.67083052  0.90310554
   0.59711006  0.06951474  0.09927252
   0.80053391  0.21165257  0.27470453
   0.62585647  0.32298906  0.04055386
   0.94314465  0.43568509  0.33759857
   0.03324536  0.33587147  0.18806718
   0.77999077  0.43137733  0.16617491
   0.73716705  0.16165962  0.44209017
   0.50009707  0.11882790  0.42586599
   0.60772012  0.10445976  0.59333507
   0.83726014  0.22243868  0.79109465
   0.57446495  0.35542644  0.53178106
   0.86347632  0.45970597  0.85324540
   0.97847335  0.47412654  0.65644216
   0.70595532  0.42985479  0.68637526
   0.80851524  0.12857274  0.96837727
   0.56249446  0.11367619  0.91442247
   0.56445730  0.57554912  0.08605454
   0.82048732  0.68921608  0.30317488
   0.61467400  0.82338722  0.03677554
   0.83670145  0.95314884  0.34002696
   0.89138369  0.86133499  0.17050465
   0.63978237  0.86908992  0.22720705
   0.80536218  0.58761118  0.46580982
   0.55540193  0.56443603  0.38577029
   0.58790225  0.61413819  0.57178393
   0.79408821  0.71376242  0.79788491
   0.63953779  0.79111051  0.43729066
   0.90004419  0.96240130  0.83766257
   0.92310117  0.86556575  0.67244459
   0.67826912  0.94047740  0.72855479
   0.77072263  0.64061928  0.97095621
   0.51246268  0.67431959  0.90532674
   0.66489354  0.84945694  0.58586818
   0.69104255  0.86486490  0.46091024
   0.86799802  0.21084441  0.09633086
   1.03168026  0.39914034  0.31350816
   0.31640700  0.17326603  0.64489098
   0.28850127  0.70673825  0.72444865
  -0.00359134  1.12404664  0.12273179
   0.21862011  1.07436340  0.04869918
   0.63454828  0.35981056  0.84996090
   0.90527495  0.47205596  0.61847590
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833795    0.566345    0.027901
    -0.000000    9.840146    0.192895
    -0.000000    0.000000   14.177381
   Si   O    H 
    32    64    10
Direct configuration=  1277
   0.17056499  0.16901992 -0.02212120
   0.36198966  0.08655371  0.36923478
   0.12549665  0.40685293  0.10966179
   0.37075870  0.34801984  0.24649328
   0.09631887  0.15344839  0.48504773
   0.42160185  0.14267348  0.85926432
   0.11811321  0.40067945  0.62295069
   0.36288639  0.39701903  0.75374304
   0.10751283  0.67710836  0.00889997
   0.39357583  0.59995828  0.36055941
   0.04389093  0.90183780  0.14526034
   0.32689445  0.84359778  0.23414465
   0.16973917  0.66076087  0.50331185
   0.35751280  0.64056741  0.88144887
   0.05883288  0.92163488  0.62221493
   0.31415042  1.03303237  0.68611363
   0.65457155  0.15637042  1.00870825
   0.85353779  0.11897188  0.36415453
   0.62378202  0.43360761  0.12661301
   0.87654243  0.29419860  0.18886654
   0.59904749  0.20060873  0.50142384
   0.90352155  0.11014406  0.87591646
   0.57968209  0.46428265  0.61838074
   0.75212767  0.37282687  0.79359517
   0.61499836  0.67357592 -0.00013200
   0.91056368  0.58847093  0.37876534
   0.56387993  0.90427643  0.12919209
   0.79947610  0.84511308  0.26185070
   0.64329813  0.63177180  0.46427001
   0.86574501  0.61685014  0.88000863
   0.58924834  0.94498596  0.63037867
   0.82329694  0.87067491  0.76283517
   0.03895029  0.06666117  0.16767981
   0.35141265  0.19112858  0.27514745
   0.11903231  0.32558162  0.01348715
   0.32996691  0.44780988  0.34156893
   0.52529264  0.37933925  0.21195236
   0.27488875  0.38139418  0.15859860
   0.24905046  0.09669268  0.45705919
   0.00648314  0.17423998  0.39101256
   0.00774138  0.05225049  0.55500551
   0.45810920  0.25226626  0.77108256
   0.10563893  0.28079685  0.54925426
   0.35061375  0.48983186  0.85007214
   0.43465152  0.47234806  0.66720222
   0.20341875  0.37749600  0.72203600
   0.30427366  0.21945634 -0.07458473
   0.05088374  0.11845489  0.91613099
   0.06664640  0.56380728  0.08586352
   0.39334792  0.69799379  0.26630797
   0.08349931  0.83178100  0.04735335
   0.35758927  0.93400816  0.32675321
   0.39845902  0.90819669  0.14329267
   0.16165249  0.84428768  0.22364831
   0.31911962  0.66836023  0.44944414
   0.05279989  0.63657099  0.42753389
   0.19559161  0.52772208  0.57084092
   0.30397729  0.72820354  0.78938508
   0.13133321  0.79636007  0.56781805
   0.36490591  1.01862316  0.79477422
   0.42330848  0.92702934  0.62441322
   0.15964186  0.98648028  0.69636530
   0.26829778  0.68433250 -0.01701685
   0.02392573  0.67117209  0.90385742
   0.59604258  0.06992876  0.09951184
   0.79920534  0.20941834  0.27383484
   0.62539869  0.32318214  0.04052712
   0.94291368  0.43541426  0.33721652
   0.03175461  0.33450884  0.18669856
   0.77914613  0.42972607  0.16724105
   0.73705841  0.16155287  0.44065258
   0.50008761  0.11926128  0.42694779
   0.60920031  0.10426220  0.59317474
   0.83714268  0.22307054  0.79020447
   0.57729055  0.35340800  0.53100930
   0.86266563  0.45902978  0.85302507
   0.97739283  0.47466422  0.65610362
   0.70564497  0.42985222  0.68587143
   0.80785555  0.12791581  0.96798694
   0.56366855  0.11219460  0.91502619
   0.56429734  0.57638741  0.08361973
   0.81964456  0.69108128  0.30248099
   0.61344327  0.82289702  0.03715888
   0.83686775  0.95384158  0.34097775
   0.89121060  0.86187940  0.17031650
   0.64059424  0.86902857  0.22805389
   0.80621886  0.58747539  0.46552280
   0.55434506  0.56471327  0.38539222
   0.58716282  0.61614387  0.57237165
   0.79335836  0.71285118  0.79716038
   0.64152349  0.79058581  0.43826703
   0.90126222  0.96306621  0.83767940
   0.92354048  0.86447358  0.67219802
   0.67916070  0.94157921  0.72877094
   0.76997382  0.64314949  0.97072304
   0.51386844  0.67436662  0.90595860
   0.67110765  0.84179960  0.58612762
   0.69088867  0.86636424  0.45727428
   0.86591035  0.21167429  0.09887074
   1.02169052  0.40836611  0.31804600
   0.31608688  0.17559509  0.64178629
   0.28949027  0.70430911  0.72613434
  -0.00951523  1.12647915  0.12415339
   0.21272015  1.07694469  0.04955938
   0.63439362  0.36589038  0.84867769
   0.89708230  0.47176127  0.61766909
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834285    0.569423    0.029341
    -0.000000    9.839625    0.190713
    -0.000000    0.000000   14.176643
   Si   O    H 
    32    64    10
Direct configuration=  1278
   0.17012417  0.16972087 -0.02182632
   0.36206304  0.08595109  0.36863711
   0.12533504  0.40637578  0.10882309
   0.37058949  0.34831625  0.24724142
   0.09629830  0.15445006  0.48543841
   0.42077638  0.14363123  0.85889002
   0.11676127  0.40159097  0.62339644
   0.36339123  0.39673887  0.75463208
   0.10750971  0.67671393  0.00941422
   0.39278909  0.59996315  0.36082344
   0.04419036  0.90220611  0.14575126
   0.32668001  0.84428715  0.23390110
   0.16887664  0.66122873  0.50321036
   0.35623739  0.63898278  0.88134050
   0.05804196  0.91979493  0.62192325
   0.31444544  1.03271756  0.68681619
   0.65425566  0.15519410  1.00747653
   0.85346135  0.11950817  0.36415949
   0.62527332  0.43241423  0.12756584
   0.87622508  0.29376026  0.18901439
   0.59907856  0.20060844  0.50104302
   0.90245674  0.11024363  0.87602571
   0.57887470  0.46324792  0.61800160
   0.75305220  0.37001963  0.79503258
   0.61462959  0.67364284  0.00002325
   0.91037229  0.58873859  0.37789089
   0.56449046  0.90334865  0.12900001
   0.79935952  0.84347457  0.26221711
   0.64403951  0.63155840  0.46461788
   0.86513224  0.61635510  0.88013750
   0.58855891  0.94578552  0.63054050
   0.82428738  0.87043822  0.76387509
   0.03932358  0.06848442  0.16810802
   0.35177038  0.19003010  0.27415862
   0.11701893  0.32741884  0.01255826
   0.33007362  0.44843720  0.34107540
   0.52572588  0.38085209  0.21227938
   0.27600260  0.38132888  0.15861482
   0.24925361  0.09571179  0.45693322
   0.00607448  0.17405816  0.39033564
   0.00888001  0.05259338  0.55552364
   0.45844450  0.25206852  0.77094370
   0.10391303  0.28096118  0.54891968
   0.35252870  0.49087720  0.84950242
   0.43731472  0.47171373  0.66711890
   0.20375801  0.37696666  0.72160605
   0.30556947  0.21883394 -0.07454205
   0.05156828  0.11947214  0.91667493
   0.06688355  0.56357360  0.08544390
   0.39309596  0.69862514  0.26589073
   0.08178924  0.83125522  0.04687399
   0.35770884  0.93278349  0.32695522
   0.40101992  0.90727154  0.14237072
   0.15930095  0.84242540  0.22281871
   0.31908018  0.66743737  0.44990668
   0.05070113  0.63761545  0.42824820
   0.19548560  0.52701924  0.56988243
   0.30439480  0.72774553  0.78763832
   0.13159865  0.79632489  0.56804098
   0.36532352  1.01807116  0.79414659
   0.42622447  0.92553787  0.62406255
   0.15902858  0.98787979  0.69537428
   0.26668922  0.68428663 -0.01744546
   0.02407884  0.67170522  0.90540722
   0.59510308  0.06992554  0.09956412
   0.79839397  0.20741351  0.27235987
   0.62536834  0.32341147  0.04025077
   0.94055366  0.43581112  0.33781086
   0.02993514  0.33281463  0.18546418
   0.77852207  0.42826933  0.16806611
   0.73608680  0.16131755  0.43935937
   0.49998667  0.11988786  0.42766921
   0.61109737  0.10367214  0.59329017
   0.83714062  0.22360038  0.78972723
   0.58064722  0.35243210  0.53088326
   0.86167885  0.45805302  0.85269910
   0.97700446  0.47563781  0.65620901
   0.70496317  0.42964652  0.68462118
   0.80724770  0.12718034  0.96774578
   0.56522775  0.11015860  0.91633068
   0.56371504  0.57661858  0.08095814
   0.81847807  0.69263175  0.30207558
   0.61252168  0.82192439  0.03730509
   0.83760222  0.95442362  0.34198943
   0.89108350  0.86213285  0.17001090
   0.64164432  0.86923698  0.22868070
   0.80697551  0.58725392  0.46543987
   0.55298634  0.56562861  0.38485948
   0.58695261  0.61758866  0.57302997
   0.79241516  0.71206687  0.79665438
   0.64301084  0.79010356  0.43865309
   0.90173636  0.96271829  0.83699323
   0.92448867  0.86401916  0.67195847
   0.67953154  0.94262636  0.72898084
   0.76925210  0.64535352  0.97033259
   0.51532508  0.67371985  0.90686073
   0.67868203  0.82713635  0.58295550
   0.69433618  0.86735185  0.45425285
   0.86652162  0.21417414  0.10209179
   1.04005917  0.40284462  0.31619014
   0.31648002  0.17489317  0.64159288
   0.29004374  0.70146090  0.72503467
  -0.01428293  1.13332545  0.12520578
   0.20250212  1.08014867  0.04932868
   0.63158674  0.37096854  0.84734939
   0.88815125  0.47413030  0.61683068
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834969    0.572213    0.030742
    -0.000000    9.839304    0.189145
    -0.000000    0.000000   14.175856
   Si   O    H 
    32    64    10
Direct configuration=  1279
   0.17017923  0.17057963 -0.02182533
   0.36266122  0.08534951  0.36813129
   0.12550331  0.40581908  0.10796545
   0.37011944  0.34921063  0.24781600
   0.09618878  0.15525929  0.48628578
   0.42051000  0.14448356  0.85880299
   0.11563963  0.40242509  0.62409427
   0.36412413  0.39613957  0.75505132
   0.10814625  0.67688854  0.00963878
   0.39223307  0.59959689  0.36089779
   0.04486877  0.90252431  0.14647611
   0.32612451  0.84474503  0.23403130
   0.16812218  0.66126450  0.50299043
   0.35513662  0.63821411  0.88119950
   0.05728385  0.91809326  0.62202910
   0.31513420  1.03241755  0.68732190
   0.65385061  0.15453979  1.00652939
   0.85288236  0.11924458  0.36405375
   0.62628883  0.43143233  0.12829238
   0.87575029  0.29319406  0.18948200
   0.59909516  0.19999581  0.50072054
   0.90164017  0.11031640  0.87595755
   0.57853616  0.46282657  0.61718913
   0.75400145  0.36711844  0.79606299
   0.61437827  0.67398859 -0.00006081
   0.91031217  0.58929189  0.37694585
   0.56496700  0.90288526  0.12876520
   0.79925843  0.84229919  0.26267711
   0.64533495  0.63091480  0.46553012
   0.86503932  0.61597746  0.88006139
   0.58812469  0.94699158  0.63060098
   0.82446454  0.86992831  0.76446450
   0.03954520  0.06988450  0.16841118
   0.35256420  0.18941693  0.27356433
   0.11567776  0.32900972  0.01131129
   0.33058711  0.44895990  0.34043988
   0.52649991  0.38233498  0.21212134
   0.27705159  0.38200869  0.15787191
   0.24929770  0.09515892  0.45679155
   0.00570308  0.17391979  0.38942169
   0.00979528  0.05186710  0.55567654
   0.45820764  0.25195855  0.77045483
   0.10299011  0.28146377  0.54809015
   0.35394389  0.49125225  0.84845897
   0.43871817  0.47170327  0.66656332
   0.20310071  0.37646098  0.72098831
   0.30683174  0.21729529 -0.07476307
   0.05161419  0.12007400  0.91700010
   0.06673399  0.56308166  0.08526935
   0.39333819  0.69922391  0.26542615
   0.08000979  0.83085323  0.04602089
   0.35741271  0.93110369  0.32734010
   0.40247568  0.90691408  0.14165739
   0.15710985  0.84026348  0.22193539
   0.31826147  0.66744177  0.45025901
   0.04873931  0.63884689  0.42821636
   0.19535928  0.52649942  0.56884154
   0.30592440  0.72720906  0.78582091
   0.13202944  0.79518202  0.56723926
   0.36538655  1.01843024  0.79443181
   0.42834279  0.92452255  0.62382315
   0.15878956  0.98931544  0.69451058
   0.26561175  0.68340161 -0.01791454
   0.02415341  0.67173597  0.90734330
   0.59487797  0.06850151  0.09947420
   0.79737717  0.20603229  0.27040306
   0.62619888  0.32319369  0.03989006
   0.93879304  0.43595958  0.33769123
   0.02791771  0.33183351  0.18489466
   0.77835428  0.42723125  0.16828442
   0.73554914  0.16093928  0.43808330
   0.49944348  0.12089266  0.42824451
   0.61327823  0.10306360  0.59356381
   0.83747888  0.22360768  0.78962710
   0.58442723  0.35250916  0.53066538
   0.86042228  0.45712249  0.85237705
   0.97593740  0.47558686  0.65644178
   0.70487488  0.42879469  0.68383627
   0.80611912  0.12647101  0.96760883
   0.56627954  0.10826609  0.91769300
   0.56393044  0.57659660  0.07862109
   0.81832379  0.69389902  0.30231640
   0.61241544  0.82084802  0.03751270
   0.83876181  0.95539327  0.34265301
   0.89073715  0.86198596  0.16971093
   0.64198902  0.86811093  0.22909426
   0.80771314  0.58715689  0.46572122
   0.55140399  0.56627603  0.38404832
   0.58615385  0.61913552  0.57386729
   0.79207071  0.71209417  0.79618623
   0.64491274  0.78941183  0.43871315
   0.90225074  0.96284418  0.83608593
   0.92550683  0.86433816  0.67142523
   0.67915981  0.94455166  0.72929152
   0.76917940  0.64668329  0.96995356
   0.51683615  0.67321715  0.90774131
   0.68230138  0.82101159  0.58073552
   0.69923143  0.86610070  0.44981228
   0.86327163  0.21795271  0.10510040
   1.04658685  0.40271181  0.31876715
   0.31922164  0.16926335  0.64020886
   0.28829616  0.69644926  0.71879917
  -0.01789103  1.13474675  0.12750792
   0.19566022  1.07767324  0.05361832
   0.62396882  0.37806377  0.84810926
   0.89384081  0.47973096  0.61980081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835239    0.574293    0.031945
    -0.000000    9.838821    0.187082
    -0.000000    0.000000   14.175271
   Si   O    H 
    32    64    10
Direct configuration=  1280
   0.17011941  0.17184542 -0.02176791
   0.36315014  0.08419320  0.36724431
   0.12629295  0.40531518  0.10705487
   0.37054655  0.35029487  0.24822169
   0.09620320  0.15530663  0.48688664
   0.42126240  0.14550570  0.85834388
   0.11474681  0.40356706  0.62459020
   0.36466128  0.39571430  0.75556768
   0.10894085  0.67659768  0.00917870
   0.39140809  0.59935015  0.36091445
   0.04576088  0.90256528  0.14688531
   0.32588262  0.84561710  0.23476776
   0.16740543  0.66112260  0.50277142
   0.35416095  0.63819707  0.88098015
   0.05624501  0.91675359  0.62212745
   0.31573455  1.03162910  0.68732859
   0.65336059  0.15481232  1.00614837
   0.85181639  0.11904142  0.36355402
   0.62730702  0.43047713  0.12841605
   0.87508346  0.29241362  0.19009172
   0.59895352  0.19897751  0.50035886
   0.90057614  0.11000427  0.87569846
   0.57844345  0.46278652  0.61671545
   0.75491359  0.36470687  0.79668106
   0.61345571  0.67440122 -0.00056740
   0.90960112  0.59009358  0.37629645
   0.56528378  0.90260848  0.12849154
   0.79908175  0.84198859  0.26295483
   0.64604509  0.63032662  0.46621524
   0.86568210  0.61568569  0.87970173
   0.58813843  0.94744167  0.63090492
   0.82403059  0.86981716  0.76465117
   0.03934025  0.07095887  0.16883903
   0.35386263  0.18875777  0.27282141
   0.11499136  0.33029720  0.01039647
   0.32960397  0.44889863  0.34032843
   0.52612075  0.38364815  0.21149412
   0.27842052  0.38269043  0.15635708
   0.24903441  0.09497849  0.45637303
   0.00443217  0.17307903  0.38870188
   0.01011236  0.05017683  0.55595359
   0.45793125  0.25191372  0.77056199
   0.10166985  0.28185526  0.54748669
   0.35600972  0.49035111  0.84776757
   0.43989985  0.47094007  0.66618826
   0.20226473  0.37524480  0.71999303
   0.30799558  0.21580438 -0.07514022
   0.05234852  0.12069293  0.91670461
   0.06621278  0.56319577  0.08505778
   0.39338569  0.69950932  0.26565726
   0.07866626  0.83164108  0.04541138
   0.35679614  0.93043619  0.32809502
   0.40331657  0.90697355  0.14086699
   0.15579864  0.83852199  0.22124978
   0.31748319  0.66765540  0.45089146
   0.04594216  0.64027951  0.42749373
   0.19526905  0.52562856  0.56839464
   0.30716956  0.72679536  0.78380250
   0.13255386  0.79321519  0.56633334
   0.36541420  1.01891892  0.79504697
   0.43091050  0.92292873  0.62432604
   0.15876325  0.99014190  0.69392519
   0.26496771  0.68220474 -0.01907240
   0.02391654  0.67133157  0.90934130
   0.59627870  0.06659861  0.09916344
   0.79681673  0.20458765  0.26810928
   0.62716442  0.32193332  0.03958963
   0.93881996  0.43611139  0.33739911
   0.02610563  0.33060184  0.18497748
   0.77816232  0.42736312  0.16818148
   0.73540310  0.16087181  0.43728894
   0.49861167  0.12162773  0.42887010
   0.61527177  0.10268636  0.59370479
   0.83823022  0.22298780  0.78956074
   0.58794226  0.35315784  0.53035737
   0.85860981  0.45564961  0.85284306
   0.97461593  0.47538855  0.65619056
   0.70452951  0.42812905  0.68339860
   0.80481265  0.12571831  0.96736673
   0.56710243  0.10709578  0.91887595
   0.56442835  0.57610574  0.07702045
   0.81928098  0.69466969  0.30297248
   0.61155122  0.81996224  0.03809399
   0.84009256  0.95676468  0.34327736
   0.89038017  0.86115823  0.16940271
   0.64213747  0.86758716  0.22920044
   0.80760211  0.58756776  0.46654380
   0.55110371  0.56678327  0.38287712
   0.58551349  0.62014416  0.57400648
   0.79137975  0.71325924  0.79598304
   0.64685571  0.78908364  0.43818195
   0.90190164  0.96286013  0.83519785
   0.92612608  0.86492754  0.67127433
   0.67923611  0.94631375  0.72974730
   0.76983549  0.64762524  0.96979447
   0.51789968  0.67246235  0.90831386
   0.68172396  0.82253579  0.58140701
   0.70648719  0.86060263  0.44805189
   0.85997583  0.22050629  0.10357853
   1.03966796  0.40997453  0.32319077
   0.32209058  0.16028689  0.63886698
   0.28919247  0.69491155  0.72162062
  -0.01569340  1.12691179  0.12794817
   0.19216307  1.07563491  0.06033037
   0.61594592  0.38742666  0.84787369
   0.89894799  0.48554863  0.62093316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835676    0.575853    0.033431
    -0.000000    9.838134    0.185430
    -0.000000    0.000000   14.174775
   Si   O    H 
    32    64    10
Direct configuration=  1281
   0.16967213  0.17329248 -0.02162103
   0.36329467  0.08302917  0.36627075
   0.12599152  0.40499059  0.10640395
   0.37160840  0.35166249  0.24873223
   0.09562665  0.15465459  0.48681381
   0.42289263  0.14652169  0.85805606
   0.11430566  0.40524600  0.62469007
   0.36501848  0.39590141  0.75602465
   0.10920000  0.67612731  0.00882997
   0.39079509  0.59912201  0.36101207
   0.04653318  0.90280809  0.14703772
   0.32492276  0.84688377  0.23542105
   0.16688303  0.66060517  0.50251878
   0.35339951  0.63856026  0.88065431
   0.05550094  0.91584516  0.62229688
   0.31598328  1.03022845  0.68703907
   0.65252119  0.15506044  1.00653381
   0.85030092  0.11896896  0.36326805
   0.62798210  0.42930017  0.12837735
   0.87407181  0.29097692  0.19113512
   0.59876196  0.19730447  0.49992865
   0.90011626  0.11018997  0.87530399
   0.57840489  0.46216325  0.61625806
   0.75532555  0.36288768  0.79716828
   0.61289494  0.67421129 -0.00122566
   0.90886297  0.59146818  0.37545030
   0.56560982  0.90343114  0.12815462
   0.79893936  0.84242312  0.26305903
   0.64652387  0.62944027  0.46671379
   0.86651488  0.61571527  0.87924010
   0.58873183  0.94830840  0.63118052
   0.82347203  0.86972279  0.76444158
   0.03948170  0.07142259  0.16963770
   0.35532359  0.18768219  0.27289924
   0.11429362  0.33140501  0.00912210
   0.32949345  0.44895257  0.33987810
   0.52506878  0.38502912  0.21106138
   0.27974958  0.38342841  0.15476915
   0.24950206  0.09408487  0.45567511
   0.00364252  0.17149056  0.38755955
   0.01032893  0.04804136  0.55639593
   0.45673452  0.25304318  0.77060883
   0.10053947  0.28341577  0.54708953
   0.35859406  0.48837948  0.84722952
   0.44043882  0.46947149  0.66627281
   0.20285811  0.37397054  0.71948054
   0.30922860  0.21412971 -0.07566660
   0.05241351  0.12177083  0.91575646
   0.06609522  0.56279800  0.08483975
   0.39318005  0.69918920  0.26576844
   0.07764292  0.83313229  0.04525579
   0.35673089  0.92973958  0.32849081
   0.40329542  0.90763330  0.14025620
   0.15518146  0.83743447  0.22042045
   0.31683177  0.66922283  0.45156116
   0.04320721  0.64137545  0.42631087
   0.19456409  0.52497356  0.56810036
   0.30842924  0.72688860  0.78222609
   0.13265225  0.79102622  0.56535031
   0.36608421  1.01954648  0.79569257
   0.43306533  0.92192273  0.62513052
   0.15852327  0.99039197  0.69296253
   0.26516235  0.68098281 -0.02086483
   0.02217624  0.67123740  0.91077689
   0.59794806  0.06591232  0.09871012
   0.79719937  0.20291695  0.26630562
   0.62722709  0.31997322  0.03911710
   0.93902636  0.43653092  0.33684296
   0.02557300  0.33003158  0.18530744
   0.77797768  0.42871693  0.16823498
   0.73567746  0.16087425  0.43728550
   0.49703375  0.12202683  0.42926220
   0.61757657  0.10260077  0.59376073
   0.83929906  0.22160819  0.78994226
   0.59032720  0.35486721  0.53039157
   0.85708783  0.45466413  0.85350794
   0.97360136  0.47519545  0.65618560
   0.70538243  0.42664901  0.68387747
   0.80436008  0.12533505  0.96704234
   0.56685538  0.10727686  0.92023291
   0.56387842  0.57539809  0.07567712
   0.82059883  0.69437413  0.30379895
   0.61086205  0.82041524  0.03895842
   0.84160416  0.95791669  0.34433413
   0.88893960  0.85997614  0.16893753
   0.64265526  0.86692060  0.22917535
   0.80727336  0.58717190  0.46775312
   0.55035113  0.56740598  0.38211271
   0.58437363  0.62158403  0.57397805
   0.79150124  0.71433551  0.79558561
   0.64821071  0.78827118  0.43794316
   0.90194114  0.96232195  0.83430546
   0.92637274  0.86537722  0.67094367
   0.67959947  0.94805544  0.73009428
   0.77037631  0.64861404  0.96941166
   0.51837872  0.67218178  0.90878009
   0.67360872  0.83134848  0.58257679
   0.71349428  0.85455611  0.44652203
   0.85830810  0.22038094  0.10184075
   1.02614135  0.41953978  0.32853672
   0.32447609  0.15563878  0.63574733
   0.29226589  0.69301084  0.72494122
  -0.01660007  1.12465045  0.12724398
   0.19487166  1.07780240  0.06342800
   0.61448927  0.39235939  0.84695978
   0.88963981  0.49243673  0.61528447
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836041    0.576870    0.035008
    -0.000000    9.837153    0.183707
    -0.000000    0.000000   14.174608
   Si   O    H 
    32    64    10
Direct configuration=  1282
   0.16911595  0.17462660 -0.02134749
   0.36333544  0.08234140  0.36549510
   0.12554496  0.40431875  0.10630059
   0.37288632  0.35259276  0.24899797
   0.09509685  0.15369804  0.48658100
   0.42453758  0.14773406  0.85770264
   0.11415892  0.40644812  0.62483446
   0.36521776  0.39616540  0.75636963
   0.10946533  0.67655388  0.00833526
   0.39040514  0.59868265  0.36099091
   0.04667780  0.90309611  0.14672669
   0.32409040  0.84750123  0.23584130
   0.16610364  0.65964554  0.50236426
   0.35282945  0.63964300  0.88010196
   0.05512635  0.91523369  0.62254512
   0.31608962  1.02927595  0.68693704
   0.65157906  0.15538821  1.00667153
   0.84878687  0.11926655  0.36297861
   0.62834545  0.42844706  0.12809937
   0.87291587  0.29026742  0.19227881
   0.59852665  0.19603094  0.49933882
   0.89900622  0.11094753  0.87493778
   0.57815965  0.46226414  0.61587421
   0.75529078  0.36185835  0.79730334
   0.61309323  0.67334936 -0.00212864
   0.90792760  0.59230795  0.37504108
   0.56684120  0.90484229  0.12762209
   0.79873640  0.84303959  0.26318525
   0.64664868  0.62874945  0.46706221
   0.86690852  0.61542962  0.87882494
   0.58939486  0.94854351  0.63143028
   0.82193983  0.87013010  0.76414111
   0.04057905  0.07041709  0.17063584
   0.35704052  0.18731057  0.27303176
   0.11419980  0.33233352  0.00740906
   0.32840238  0.44899340  0.33949069
   0.52411798  0.38614540  0.21105340
   0.28121509  0.38473340  0.15295247
   0.24940057  0.09386028  0.45505650
   0.00326948  0.16972037  0.38673553
   0.01024929  0.04578940  0.55638159
   0.45487066  0.25474081  0.77077159
   0.09984176  0.28479428  0.54672402
   0.36122117  0.48483904  0.84696332
   0.44043525  0.46785581  0.66632349
   0.20380621  0.37271314  0.71944586
   0.31070321  0.21215053 -0.07585713
   0.05229447  0.12324928  0.91456741
   0.06616228  0.56271591  0.08520724
   0.39301508  0.69877277  0.26622146
   0.07656594  0.83465269  0.04546264
   0.35653450  0.92988461  0.32927301
   0.40294574  0.90809369  0.13996069
   0.15516060  0.83658987  0.22036259
   0.31613263  0.67047109  0.45183192
   0.04175573  0.64263144  0.42479479
   0.19418128  0.52426122  0.56799659
   0.31026429  0.72780208  0.78164432
   0.13306346  0.78990904  0.56457587
   0.36665347  1.02075872  0.79622940
   0.43416042  0.92133371  0.62616918
   0.15849580  0.99076381  0.69195245
   0.26609475  0.67947852 -0.02218670
   0.02092855  0.67068036  0.91189865
   0.59968288  0.06413933  0.09815060
   0.79788560  0.20149557  0.26504613
   0.62718627  0.31756060  0.03850745
   0.93753751  0.43779032  0.33702942
   0.02691662  0.32995334  0.18612235
   0.77816522  0.43096300  0.16834912
   0.73611390  0.16131181  0.43723589
   0.49453054  0.12331936  0.42956905
   0.61995099  0.10208753  0.59356352
   0.84073062  0.22023776  0.79039616
   0.59250821  0.35635096  0.53031219
   0.85602667  0.45415223  0.85462694
   0.97181123  0.47465484  0.65568194
   0.70651186  0.42562403  0.68455247
   0.80434564  0.12473436  0.96713400
   0.56617788  0.10733880  0.92116526
   0.56386147  0.57357489  0.07482890
   0.82221526  0.69337358  0.30472484
   0.60977256  0.82052785  0.04011116
   0.84223009  0.95852815  0.34581305
   0.88796903  0.85911989  0.16831791
   0.64300232  0.86652206  0.22880609
   0.80719274  0.58674685  0.46871842
   0.55019562  0.56769327  0.38217538
   0.58373513  0.62239131  0.57414565
   0.79153849  0.71479936  0.79496690
   0.64953948  0.78787381  0.43739767
   0.90179427  0.96127100  0.83328181
   0.92669878  0.86513235  0.67035502
   0.68041331  0.94924600  0.73065474
   0.77095054  0.65009627  0.96876098
   0.51853997  0.67125810  0.90932864
   0.66080338  0.84326686  0.58340171
   0.72347973  0.85196793  0.44696000
   0.85829363  0.21968443  0.10200739
   1.03412492  0.42109914  0.32898241
   0.32723895  0.15266479  0.63432982
   0.29190235  0.68579048  0.71606648
  -0.02375767  1.12405261  0.12142493
   0.19939956  1.08222910  0.06169677
   0.61914387  0.39216810  0.84487635
   0.88643373  0.49634609  0.61294765
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836358    0.577722    0.036631
    -0.000000    9.836381    0.181961
    -0.000000    0.000000   14.174295
   Si   O    H 
    32    64    10
Direct configuration=  1283
   0.16864295  0.17593700 -0.02116946
   0.36290976  0.08170691  0.36519349
   0.12577760  0.40366049  0.10629511
   0.37384910  0.35391687  0.24918666
   0.09448739  0.15212356  0.48600197
   0.42639784  0.14915578  0.85728236
   0.11402689  0.40721760  0.62512134
   0.36547240  0.39645516  0.75661167
   0.10962773  0.67683149  0.00745133
   0.38999855  0.59777235  0.36117398
   0.04676008  0.90334419  0.14616385
   0.32278102  0.84752470  0.23614906
   0.16499901  0.65847905  0.50243992
   0.35243801  0.64115436  0.87969893
   0.05521310  0.91428683  0.62239343
   0.31673699  1.02898488  0.68659663
   0.65082490  0.15612614  1.00715941
   0.84715113  0.11913904  0.36269338
   0.62848330  0.42751307  0.12752493
   0.87137997  0.28948489  0.19317208
   0.59882365  0.19532154  0.49825874
   0.89729188  0.11140662  0.87481105
   0.57844696  0.46226966  0.61561208
   0.75489461  0.36179836  0.79730574
   0.61394321  0.67269692 -0.00307009
   0.90796078  0.59294306  0.37460984
   0.56817599  0.90687778  0.12723938
   0.79819567  0.84358075  0.26357363
   0.64697935  0.62883067  0.46738134
   0.86681381  0.61483583  0.87809345
   0.59050974  0.94927240  0.63152399
   0.82052120  0.87054221  0.76383997
   0.04107380  0.07006925  0.17156567
   0.35842788  0.18722545  0.27295834
   0.11337129  0.33233080  0.00619616
   0.32749299  0.44868362  0.33905149
   0.52319070  0.38664211  0.21099131
   0.28241793  0.38577759  0.15152610
   0.24907032  0.09380394  0.45458587
   0.00291397  0.16828291  0.38701193
   0.01057816  0.04402162  0.55643353
   0.45322543  0.25621262  0.77063315
   0.09950522  0.28652129  0.54621417
   0.36396122  0.48096311  0.84734914
   0.43927485  0.46658425  0.66653232
   0.20535365  0.37189377  0.71925769
   0.31149384  0.21025019 -0.07575649
   0.05209123  0.12453095  0.91358834
   0.06620324  0.56316965  0.08516534
   0.39247522  0.69832492  0.26661160
   0.07469997  0.83564341  0.04586195
   0.35679861  0.93013117  0.32963672
   0.40212983  0.90827668  0.13999547
   0.15515666  0.83532381  0.22065346
   0.31460348  0.67184305  0.45197531
   0.04137781  0.64426697  0.42340976
   0.19316127  0.52349832  0.56800498
   0.31212831  0.72848683  0.78079573
   0.13332787  0.78972672  0.56420789
   0.36749276  1.02182838  0.79645483
   0.43417566  0.92119716  0.62692660
   0.15822120  0.99125456  0.69102093
   0.26677224  0.67847885 -0.02355491
   0.01920048  0.66932761  0.91309009
   0.60144418  0.06237917  0.09698070
   0.79871833  0.19967446  0.26406086
   0.62723635  0.31540175  0.03812300
   0.93576682  0.43874031  0.33662300
   0.02826904  0.33069385  0.18715914
   0.77890368  0.43302602  0.16891068
   0.73686067  0.16217980  0.43769509
   0.49275818  0.12416631  0.42975481
   0.62223695  0.10151836  0.59390296
   0.84220095  0.21794458  0.79133093
   0.59389310  0.35767640  0.53039494
   0.85569736  0.45394354  0.85572092
   0.96927580  0.47447787  0.65486114
   0.70679938  0.42480096  0.68548611
   0.80309325  0.12487369  0.96792631
   0.56508029  0.10813170  0.92177432
   0.56243706  0.57157820  0.07541703
   0.82294918  0.69170768  0.30514578
   0.60815199  0.82118967  0.04128006
   0.84246185  0.95923976  0.34668243
   0.88705625  0.85833767  0.16771625
   0.64298550  0.86566659  0.22843508
   0.80698065  0.58513866  0.46933343
   0.55003122  0.56755923  0.38245868
   0.58441454  0.62239167  0.57416720
   0.79194551  0.71548955  0.79461714
   0.65072251  0.78801146  0.43661482
   0.90126913  0.96000155  0.83309842
   0.92679462  0.86380051  0.67001465
   0.68079670  0.95064022  0.73142731
   0.77209372  0.65202234  0.96788200
   0.51769159  0.66977770  0.91006418
   0.65187908  0.85033812  0.58172464
   0.72472295  0.84915312  0.44643569
   0.85968685  0.22013141  0.09797478
   1.04262675  0.42607217  0.32796835
   0.32879420  0.15244082  0.63077889
   0.28996478  0.68440969  0.71623832
  -0.02419228  1.12083910  0.11943734
   0.20538998  1.08578360  0.05838720
   0.62655388  0.38905886  0.84285351
   0.89637383  0.49557981  0.61416372
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836269    0.578529    0.038448
    -0.000000    9.835266    0.180155
    -0.000000    0.000000   14.173572
   Si   O    H 
    32    64    10
Direct configuration=  1284
   0.16857173  0.17726801 -0.02096046
   0.36278528  0.08100894  0.36488402
   0.12598385  0.40301426  0.10630595
   0.37481203  0.35499926  0.24952868
   0.09425740  0.15012688  0.48535815
   0.42808595  0.15062697  0.85689145
   0.11420899  0.40760067  0.62539619
   0.36488974  0.39756705  0.75633286
   0.10914505  0.67708132  0.00663397
   0.38973135  0.59762162  0.36087115
   0.04676663  0.90352437  0.14576358
   0.32118079  0.84706145  0.23643190
   0.16438611  0.65686225  0.50232662
   0.35292474  0.64253192  0.87919871
   0.05567697  0.91433209  0.62213179
   0.31722655  1.02862166  0.68585013
   0.64989682  0.15713895  1.00787041
   0.84610117  0.11910329  0.36262121
   0.62831400  0.42654742  0.12702475
   0.87041336  0.28875648  0.19409365
   0.59937546  0.19474204  0.49747836
   0.89583081  0.11217409  0.87466838
   0.57854896  0.46200400  0.61490104
   0.75424099  0.36146434  0.79733122
   0.61456282  0.67189615 -0.00391092
   0.90783299  0.59325185  0.37406266
   0.56897198  0.90919353  0.12742775
   0.79769057  0.84463011  0.26365627
   0.64739259  0.62964308  0.46767147
   0.86690524  0.61442657  0.87745525
   0.59114548  0.95036407  0.63209901
   0.81969631  0.87072409  0.76348461
   0.04184088  0.06933510  0.17169510
   0.35885499  0.18753785  0.27313160
   0.11238499  0.33285546  0.00588670
   0.32803340  0.44740768  0.33930997
   0.52327664  0.38697360  0.21087057
   0.28393575  0.38646618  0.15010377
   0.24848379  0.09399172  0.45433200
   0.00271122  0.16716419  0.38778469
   0.01072255  0.04332804  0.55627400
   0.45259968  0.25676880  0.77078199
   0.09951932  0.28750200  0.54582536
   0.36590841  0.47769093  0.84860829
   0.43703507  0.46526393  0.66693657
   0.20744144  0.37052265  0.71933534
   0.31110567  0.20801074 -0.07562240
   0.05112557  0.12574443  0.91292804
   0.06731877  0.56352244  0.08538462
   0.39117060  0.69840298  0.26699310
   0.07320475  0.83643071  0.04618132
   0.35687447  0.93059172  0.32958771
   0.40170037  0.90816861  0.14094135
   0.15554236  0.83417618  0.22095699
   0.31320090  0.67312587  0.45218725
   0.04211098  0.64446171  0.42145223
   0.19148789  0.52319258  0.56765543
   0.31329546  0.72889942  0.77973729
   0.13332634  0.78993728  0.56442686
   0.36818053  1.02263981  0.79652168
   0.43326131  0.92196365  0.62779316
   0.15828263  0.99090572  0.69029277
   0.26759066  0.67737868 -0.02462666
   0.01707705  0.66793684  0.91378372
   0.60330157  0.06078541  0.09587243
   0.79857889  0.19740037  0.26353424
   0.62655066  0.31366514  0.03780516
   0.93453568  0.44009081  0.33624457
   0.02982212  0.33179195  0.18756637
   0.77943397  0.43417822  0.16959457
   0.73797280  0.16294811  0.43808663
   0.49097559  0.12479457  0.43033451
   0.62394831  0.10072686  0.59397219
   0.84456664  0.21621621  0.79233321
   0.59514089  0.35819182  0.53006487
   0.85639555  0.45409612  0.85642034
   0.96741059  0.47425302  0.65423805
   0.70791170  0.42332114  0.68631398
   0.80185634  0.12569562  0.96865657
   0.56264099  0.10920268  0.92214672
   0.56088055  0.56951022  0.07612616
   0.82455013  0.69041132  0.30549273
   0.60663015  0.82170078  0.04277689
   0.84212382  0.95857243  0.34722828
   0.88671839  0.85747525  0.16692905
   0.64222447  0.86576870  0.22806821
   0.80743952  0.58274253  0.47083375
   0.55059763  0.56692279  0.38346465
   0.58471346  0.62213569  0.57390054
   0.79205560  0.71718721  0.79484798
   0.65113436  0.78734598  0.43542076
   0.90028522  0.95971922  0.83294655
   0.92645765  0.86169829  0.67048956
   0.68069374  0.95166326  0.73239159
   0.77357287  0.65457808  0.96724931
   0.51694769  0.66939872  0.91101162
   0.65097115  0.85036146  0.57688262
   0.72366361  0.84433527  0.44898139
   0.86324964  0.21944289  0.09842705
   1.03979050  0.42975755  0.32804016
   0.32857919  0.15374003  0.62848631
   0.29181063  0.68790961  0.72318726
  -0.01842865  1.11336358  0.12408211
   0.21307350  1.08885855  0.05563092
   0.62982319  0.38444929  0.84488739
   0.89888803  0.49559911  0.61218473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835657    0.579057    0.040416
    -0.000000    9.834272    0.178096
    -0.000000    0.000000   14.172574
   Si   O    H 
    32    64    10
Direct configuration=  1285
   0.16902914  0.17819681 -0.02112384
   0.36236300  0.08088764  0.36456316
   0.12619374  0.40279457  0.10640625
   0.37561867  0.35531584  0.24941894
   0.09417335  0.14888667  0.48432453
   0.43046336  0.15220636  0.85653940
   0.11435225  0.40898100  0.62570052
   0.36418631  0.39828221  0.75591429
   0.10831227  0.67742203  0.00560048
   0.38963471  0.59718994  0.36072351
   0.04667263  0.90405691  0.14518086
   0.31996785  0.84670889  0.23650127
   0.16347970  0.65581777  0.50214077
   0.35307988  0.64448071  0.87846912
   0.05609023  0.91471450  0.62206455
   0.31843214  1.02847293  0.68528740
   0.64891156  0.15785231  1.00868028
   0.84556325  0.11849585  0.36264378
   0.62770277  0.42548898  0.12666591
   0.86917623  0.28907215  0.19444612
   0.60008934  0.19381085  0.49716824
   0.89442675  0.11264226  0.87436742
   0.57861394  0.46150593  0.61473617
   0.75406409  0.36081435  0.79719714
   0.61511146  0.67081451 -0.00472938
   0.90783090  0.59346749  0.37354914
   0.57014695  0.91130556  0.12758204
   0.79681854  0.84525117  0.26369034
   0.64773214  0.63041224  0.46806107
   0.86693126  0.61446308  0.87717386
   0.59212530  0.95169486  0.63296127
   0.81836354  0.87127207  0.76245912
   0.04319820  0.06774966  0.17137381
   0.35886996  0.18799102  0.27346252
   0.11173568  0.33293088  0.00584439
   0.32905816  0.44655097  0.33938278
   0.52347484  0.38696972  0.21073990
   0.28511039  0.38735012  0.14903434
   0.24671303  0.09306857  0.45404072
   0.00207752  0.16576491  0.38891877
   0.01123033  0.04308981  0.55532165
   0.45211781  0.25698819  0.77094367
   0.09955015  0.28822816  0.54559269
   0.36808653  0.47481634  0.85060060
   0.43460996  0.46353567  0.66759654
   0.20955231  0.36913909  0.71919709
   0.30980266  0.20520711 -0.07536864
   0.05025124  0.12650650  0.91255092
   0.06868904  0.56375163  0.08653083
   0.38902736  0.69909917  0.26778360
   0.07240809  0.83615304  0.04677703
   0.35858868  0.92985778  0.32967630
   0.40104636  0.90788679  0.14161081
   0.15605751  0.83306573  0.22134655
   0.31230005  0.67423171  0.45235360
   0.04353865  0.64454387  0.41956336
   0.18939839  0.52312066  0.56721150
   0.31504460  0.72990631  0.77939333
   0.13283774  0.79013131  0.56404071
   0.36902538  1.02381786  0.79726996
   0.43187590  0.92239900  0.62860563
   0.15936397  0.98982327  0.69048467
   0.26874381  0.67530670 -0.02570165
   0.01473984  0.66621139  0.91380170
   0.60528181  0.05905295  0.09467670
   0.79818492  0.19444342  0.26349852
   0.62702407  0.31239233  0.03765915
   0.93352437  0.44108643  0.33601713
   0.03091116  0.33313156  0.18783726
   0.77996816  0.43515629  0.16981307
   0.73841095  0.16371851  0.43870492
   0.48882154  0.12509497  0.43062599
   0.62517924  0.10045728  0.59422402
   0.84604910  0.21443679  0.79280811
   0.59607722  0.35842333  0.52962612
   0.85753967  0.45459904  0.85731181
   0.96635292  0.47387172  0.65411088
   0.70881110  0.42153086  0.68709382
   0.80039403  0.12725184  0.96913278
   0.55953161  0.11048090  0.92258172
   0.56028147  0.56666339  0.07698753
   0.82562092  0.68963524  0.30453357
   0.60652200  0.82190904  0.04340722
   0.84162493  0.95753342  0.34736708
   0.88795358  0.85602810  0.16604729
   0.64179846  0.86561265  0.22751383
   0.80876307  0.58090940  0.47217703
   0.55196083  0.56670002  0.38506322
   0.58483314  0.62169831  0.57318911
   0.79190780  0.71776521  0.79555170
   0.65108169  0.78607300  0.43422330
   0.89945327  0.95858378  0.83300238
   0.92493618  0.85926253  0.67120055
   0.68025344  0.95296432  0.73343763
   0.77453307  0.65707746  0.96663752
   0.51530800  0.66949021  0.91155267
   0.65267549  0.84690389  0.57170166
   0.72818625  0.84050374  0.45198122
   0.86826542  0.21994328  0.09884900
   1.02929103  0.43010832  0.32891626
   0.32511587  0.15329333  0.62715732
   0.29096008  0.68627192  0.72552176
  -0.01910246  1.11256275  0.12780013
   0.21781671  1.09070482  0.05373633
   0.62623203  0.37589079  0.84984464
   0.89278792  0.49851225  0.60359763
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834951    0.578798    0.042491
    -0.000000    9.833150    0.176000
    -0.000000    0.000000   14.171467
   Si   O    H 
    32    64    10
Direct configuration=  1286
   0.16998421  0.17900414 -0.02134904
   0.36178472  0.08114468  0.36416226
   0.12626370  0.40324851  0.10645223
   0.37630430  0.35514102  0.24910862
   0.09390134  0.14750642  0.48397673
   0.43283967  0.15369364  0.85649214
   0.11454270  0.40959005  0.62569819
   0.36300649  0.39880017  0.75533502
   0.10731611  0.67753107  0.00514287
   0.38890451  0.59660290  0.36001357
   0.04637078  0.90458419  0.14492657
   0.31895839  0.84638175  0.23675201
   0.16270986  0.65455290  0.50165687
   0.35422252  0.64662705  0.87737689
   0.05722662  0.91539430  0.62191070
   0.31944612  1.02847282  0.68477921
   0.64802323  0.15864847  1.00937801
   0.84594969  0.11787304  0.36260800
   0.62741029  0.42460708  0.12634143
   0.86797492  0.28953298  0.19402794
   0.60078075  0.19262135  0.49687061
   0.89332068  0.11270396  0.87411465
   0.57931895  0.46139122  0.61506228
   0.75374492  0.36027195  0.79655164
   0.61583725  0.66980863 -0.00531399
   0.90777418  0.59392674  0.37313384
   0.57087505  0.91353189  0.12838010
   0.79614720  0.84575345  0.26372836
   0.64823788  0.63094103  0.46840194
   0.86746809  0.61482906  0.87669088
   0.59322601  0.95256943  0.63368214
   0.81770718  0.87148581  0.76114589
   0.04515344  0.06593524  0.17113117
   0.35842397  0.18865628  0.27362118
   0.11053500  0.33260872  0.00599817
   0.33109581  0.44524906  0.33955363
   0.52403189  0.38691855  0.21040215
   0.28588170  0.38808294  0.14839621
   0.24474592  0.09201811  0.45371951
   0.00162147  0.16441481  0.39007343
   0.01213941  0.04339326  0.55455419
   0.45264241  0.25788625  0.77082999
   0.09969003  0.28917143  0.54514919
   0.37013881  0.47280238  0.85260247
   0.43230421  0.46252618  0.66815633
   0.21190824  0.36785319  0.71900063
   0.30925909  0.20273322 -0.07485533
   0.04970803  0.12772712  0.91280310
   0.06946412  0.56419516  0.08754127
   0.38668719  0.69909312  0.26872831
   0.07214931  0.83562679  0.04681115
   0.35956384  0.92895927  0.32957725
   0.40075804  0.90715781  0.14237736
   0.15691749  0.83207235  0.22128339
   0.31099463  0.67418961  0.45262309
   0.04573012  0.64434931  0.41833596
   0.18730492  0.52289420  0.56663075
   0.31701299  0.73140104  0.77928989
   0.13208361  0.79006160  0.56363846
   0.37066132  1.02505131  0.79766445
   0.43023819  0.92226110  0.62920013
   0.16127633  0.98847221  0.69053613
   0.26954754  0.67301741 -0.02694443
   0.01203446  0.66420194  0.91296607
   0.60708715  0.05762642  0.09347328
   0.79790251  0.19077473  0.26397933
   0.62818781  0.31118007  0.03757997
   0.93284647  0.44277091  0.33623996
   0.03181210  0.33439870  0.18824109
   0.78012831  0.43653703  0.17007632
   0.73956818  0.16543342  0.43852397
   0.48714514  0.12572480  0.43082142
   0.62650920  0.10068594  0.59444106
   0.84679199  0.21330168  0.79326176
   0.59630420  0.35813615  0.52933498
   0.85820349  0.45476391  0.85718448
   0.96556222  0.47352529  0.65414334
   0.71000603  0.42001399  0.68781135
   0.79975228  0.12833614  0.96932122
   0.55715369  0.11198017  0.92273459
   0.56045403  0.56360749  0.07722985
   0.82667617  0.68915745  0.30323708
   0.60640339  0.82221325  0.04310229
   0.84113412  0.95600721  0.34711474
   0.88941087  0.85482917  0.16467849
   0.64103338  0.86542074  0.22705343
   0.81070049  0.57964218  0.47311650
   0.55253098  0.56631445  0.38647858
   0.58492152  0.62133634  0.57241134
   0.79210203  0.71795425  0.79636907
   0.65099294  0.78465915  0.43300775
   0.89830342  0.95786187  0.83297978
   0.92344551  0.85781732  0.67216349
   0.67908654  0.95376232  0.73475655
   0.77513789  0.65818019  0.96635609
   0.51241245  0.66985291  0.91175366
   0.65575093  0.84732025  0.57121005
   0.73125228  0.83586610  0.45515084
   0.87624214  0.22137611  0.10061115
   1.02446720  0.42612515  0.33113257
   0.32000108  0.15265465  0.62615507
   0.28815769  0.68115290  0.72261368
  -0.02162985  1.11875193  0.12853433
   0.22109896  1.09106300  0.05378981
   0.62241856  0.36423311  0.85261204
   0.89521036  0.49992530  0.60071132
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834248    0.578346    0.043852
    -0.000000    9.831672    0.173965
    -0.000000    0.000000   14.170110
   Si   O    H 
    32    64    10
Direct configuration=  1287
   0.17045735  0.17941614 -0.02144756
   0.36162071  0.08146540  0.36405872
   0.12638052  0.40344425  0.10698853
   0.37713195  0.35478496  0.24821462
   0.09449535  0.14693848  0.48342672
   0.43444706  0.15490275  0.85670793
   0.11455864  0.40981768  0.62595819
   0.36165608  0.39875158  0.75494479
   0.10623051  0.67806150  0.00488716
   0.38844858  0.59672795  0.35962662
   0.04619872  0.90554639  0.14461021
   0.31752020  0.84597467  0.23652422
   0.16242502  0.65360766  0.50085220
   0.35583319  0.64818134  0.87671703
   0.05807880  0.91594405  0.62157561
   0.32019307  1.02802488  0.68454348
   0.64683768  0.15964073  1.00996780
   0.84614198  0.11707324  0.36261946
   0.62648322  0.42388351  0.12619449
   0.86725508  0.29045632  0.19304528
   0.60143284  0.19064034  0.49618786
   0.89239712  0.11213407  0.87420737
   0.57950278  0.46138684  0.61596292
   0.75347129  0.36022962  0.79578376
   0.61629045  0.66920581 -0.00577328
   0.90807677  0.59422404  0.37348564
   0.57137924  0.91503239  0.12910169
   0.79631533  0.84631034  0.26396347
   0.64906602  0.63163161  0.46841360
   0.86748010  0.61504447  0.87685876
   0.59469280  0.95337748  0.63438708
   0.81728724  0.87174798  0.75996200
   0.04652514  0.06332435  0.17029048
   0.35850647  0.18880823  0.27394644
   0.10900218  0.33237737  0.00693106
   0.33350012  0.44378699  0.33958576
   0.52445782  0.38622825  0.21028877
   0.28652668  0.38892872  0.14822029
   0.24358173  0.09092573  0.45258208
   0.00163877  0.16335104  0.39110346
   0.01277774  0.04370267  0.55374408
   0.45283869  0.25930644  0.77022438
   0.09989883  0.29028186  0.54564112
   0.37167685  0.47207279  0.85445612
   0.43064623  0.46065295  0.66850103
   0.21383225  0.36727011  0.71920834
   0.30916889  0.20032777 -0.07463757
   0.04903125  0.12876362  0.91246541
   0.06974454  0.56426334  0.08869019
   0.38501640  0.69897191  0.26889635
   0.07304055  0.83474094  0.04597421
   0.35992580  0.92847631  0.32936972
   0.40020336  0.90650129  0.14327129
   0.15887570  0.83153908  0.22119117
   0.30931972  0.67398341  0.45249254
   0.04834953  0.64419687  0.41778778
   0.18483304  0.52373691  0.56618792
   0.31819852  0.73347582  0.77892226
   0.13129113  0.78892650  0.56370120
   0.37142298  1.02625320  0.79760446
   0.42856352  0.92231695  0.62976422
   0.16339201  0.98751383  0.69033107
   0.27001080  0.67023322 -0.02742008
   0.01015736  0.66221307  0.91191800
   0.60836751  0.05678274  0.09244932
   0.79744861  0.18793155  0.26480917
   0.62944252  0.31160542  0.03816681
   0.93207138  0.44410524  0.33558803
   0.03280641  0.33612389  0.18814534
   0.77905449  0.43855564  0.17034263
   0.74034267  0.16721192  0.43819698
   0.48522036  0.12623250  0.43097642
   0.62684099  0.10163042  0.59461051
   0.84759109  0.21218850  0.79328206
   0.59539052  0.35652851  0.52862398
   0.85831233  0.45527974  0.85666127
   0.96431346  0.47297492  0.65424567
   0.71130160  0.41894903  0.68840854
   0.79925023  0.12977004  0.96932307
   0.55546467  0.11364858  0.92296369
   0.56122440  0.56082918  0.07724283
   0.82829906  0.68919294  0.30190323
   0.60650256  0.82183714  0.04333635
   0.84021508  0.95401894  0.34613618
   0.88989024  0.85426643  0.16381292
   0.64018813  0.86581149  0.22737595
   0.81284309  0.57841460  0.47411611
   0.55298201  0.56560048  0.38798596
   0.58507965  0.62080340  0.57185561
   0.79273731  0.71888533  0.79746516
   0.65152684  0.78532977  0.43222147
   0.89656028  0.95711948  0.83327953
   0.92218592  0.85617971  0.67280441
   0.67724276  0.95383074  0.73575567
   0.77505647  0.65916910  0.96633430
   0.50912381  0.66980965  0.91179783
   0.65781151  0.84964161  0.57276376
   0.72440589  0.82914998  0.45593110
   0.87937105  0.22231090  0.10390830
   1.03540461  0.41494315  0.33155648
   0.31480330  0.15418644  0.62567959
   0.28560673  0.67680793  0.72184095
  -0.02101614  1.12450733  0.13115660
   0.22251756  1.08961509  0.05522031
   0.62474923  0.35014223  0.85322933
   0.90487835  0.49670624  0.60202434
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833523    0.577489    0.045003
    -0.000000    9.829608    0.171964
    -0.000000    0.000000   14.169237
   Si   O    H 
    32    64    10
Direct configuration=  1288
   0.17044166  0.17964947 -0.02119485
   0.36115371  0.08176422  0.36457770
   0.12629545  0.40447332  0.10775122
   0.37725612  0.35449637  0.24701203
   0.09473370  0.14703836  0.48324312
   0.43563089  0.15549074  0.85656321
   0.11494486  0.40935342  0.62613309
   0.36020591  0.39841435  0.75520287
   0.10540641  0.67929054  0.00418321
   0.38761632  0.59693385  0.35963246
   0.04566089  0.90660652  0.14479881
   0.31627521  0.84576406  0.23639818
   0.16185159  0.65289611  0.50006123
   0.35754233  0.64864657  0.87603567
   0.05880395  0.91664140  0.62126867
   0.32108773  1.02790337  0.68460488
   0.64619185  0.15990467  1.01042685
   0.84661690  0.11600123  0.36259775
   0.62524445  0.42404365  0.12572470
   0.86689673  0.29170660  0.19229201
   0.60191150  0.18844247  0.49604989
   0.89178389  0.11098972  0.87433422
   0.57957549  0.46137337  0.61724530
   0.75308421  0.36036723  0.79496972
   0.61578094  0.66922631 -0.00572641
   0.90847928  0.59387958  0.37398071
   0.57154917  0.91594350  0.12996780
   0.79662880  0.84705939  0.26385692
   0.64969436  0.63264973  0.46802433
   0.86736423  0.61479480  0.87715001
   0.59619102  0.95394720  0.63482129
   0.81689676  0.87195265  0.75886171
   0.04724527  0.06156491  0.16897367
   0.35812208  0.18932538  0.27396517
   0.10762010  0.33141484  0.00772334
   0.33559423  0.44229424  0.33971203
   0.52517289  0.38500823  0.20999198
   0.28731025  0.38852380  0.14832641
   0.24298155  0.08967839  0.45105891
   0.00029596  0.16291655  0.39192239
   0.01322455  0.04428551  0.55278928
   0.45271378  0.26045682  0.76967314
   0.10042421  0.29127994  0.54646366
   0.37294463  0.47154882  0.85604567
   0.43008095  0.45942551  0.66842085
   0.21554916  0.36666781  0.71906218
   0.30921920  0.19830250 -0.07504306
   0.04794995  0.12920614  0.91219317
   0.07016439  0.56502975  0.08920336
   0.38343247  0.69806790  0.26905263
   0.07469657  0.83275787  0.04522712
   0.36011104  0.92806973  0.32911427
   0.39962321  0.90511022  0.14373032
   0.16040776  0.83136285  0.22073251
   0.30751655  0.67393386  0.45244844
   0.05024983  0.64490319  0.41744568
   0.18207347  0.52453253  0.56578827
   0.31784521  0.73496016  0.77767391
   0.13070993  0.78809248  0.56344705
   0.37222113  1.02702890  0.79753171
   0.42821298  0.92263736  0.63116552
   0.16539308  0.98647203  0.69064697
   0.27035461  0.66835114 -0.02831336
   0.00847041  0.66021603  0.91072624
   0.60980467  0.05680434  0.09166987
   0.79714815  0.18562661  0.26516826
   0.63010003  0.31243107  0.03898210
   0.93164719  0.44438347  0.33504029
   0.03340462  0.33849587  0.18749013
   0.77790843  0.43924850  0.16978860
   0.74114611  0.16835507  0.43751460
   0.48400996  0.12669214  0.43100431
   0.62644550  0.10300695  0.59477531
   0.84741983  0.21116957  0.79337838
   0.59470491  0.35474601  0.52787381
   0.85831512  0.45523981  0.85601757
   0.96294332  0.47147158  0.65463217
   0.71167864  0.41688147  0.68882735
   0.79909066  0.13115206  0.96973372
   0.55436049  0.11574074  0.92344188
   0.56181553  0.55870595  0.07726000
   0.82929426  0.68991066  0.30083583
   0.60584693  0.82074666  0.04328240
   0.83996311  0.95235351  0.34473019
   0.88968694  0.85352305  0.16300913
   0.64008103  0.86543245  0.22828307
   0.81504120  0.57745195  0.47477821
   0.55178517  0.56483645  0.38935065
   0.58527844  0.61986918  0.57141687
   0.79307789  0.72005689  0.79957442
   0.65159637  0.78650301  0.43097627
   0.89561037  0.95601305  0.83389292
   0.92088156  0.85525466  0.67300176
   0.67542620  0.95310038  0.73666826
   0.77456946  0.65982881  0.96670021
   0.50598349  0.66932090  0.91169268
   0.65677051  0.85425377  0.57413530
   0.72457559  0.83117072  0.46087299
   0.87836747  0.22357818  0.10516282
   1.03370250  0.40799731  0.33287349
   0.31286932  0.15288719  0.62575798
   0.28597886  0.68003750  0.73005092
  -0.01622739  1.12206571  0.13420781
   0.21918088  1.08930675  0.05663935
   0.63263363  0.33758403  0.85214460
   0.91180483  0.49573807  0.60150151
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832641    0.576293    0.046060
    -0.000000    9.827571    0.169112
    -0.000000    0.000000   14.168439
   Si   O    H 
    32    64    10
Direct configuration=  1289
   0.17032734  0.17960293 -0.02113453
   0.36152198  0.08180439  0.36532670
   0.12650640  0.40546392  0.10767471
   0.37735113  0.35460080  0.24567429
   0.09489074  0.14753746  0.48320792
   0.43659961  0.15616134  0.85617830
   0.11552242  0.40863998  0.62622979
   0.35869376  0.39800385  0.75550244
   0.10578770  0.68049608  0.00386835
   0.38690199  0.59777444  0.35952987
   0.04512160  0.90732714  0.14490006
   0.31537612  0.84570861  0.23608396
   0.16161714  0.65257025  0.49920005
   0.35796279  0.64860995  0.87542246
   0.05992727  0.91743815  0.62091816
   0.32185307  1.02782756  0.68498417
   0.64609092  0.16057628  1.01077665
   0.84768502  0.11513502  0.36214340
   0.62366604  0.42458564  0.12515319
   0.86627330  0.29361716  0.19156627
   0.60188200  0.18669100  0.49609542
   0.89121354  0.10940764  0.87483279
   0.57960312  0.46124540  0.61829691
   0.75327423  0.36047580  0.79392949
   0.61510654  0.66945208 -0.00557562
   0.90903586  0.59403406  0.37467913
   0.57136374  0.91570227  0.13055888
   0.79683516  0.84789408  0.26356145
   0.65012022  0.63302299  0.46795606
   0.86671891  0.61481389  0.87757332
   0.59689885  0.95401240  0.63504355
   0.81645395  0.87228946  0.75821495
   0.04875288  0.06049438  0.16793092
   0.35673574  0.19092940  0.27421731
   0.10613139  0.33056881  0.00791641
   0.33703414  0.44060914  0.34040008
   0.52638265  0.38424490  0.21098408
   0.28876694  0.38812143  0.14847902
   0.24263397  0.08900402  0.44916977
  -0.00210754  0.16290944  0.39225067
   0.01452029  0.04429860  0.55176893
   0.45269860  0.26154372  0.76918715
   0.10058727  0.29168588  0.54711563
   0.37373288  0.47175401  0.85746134
   0.42972272  0.45876428  0.66747794
   0.21596966  0.36688338  0.71847811
   0.30952615  0.19682542 -0.07563959
   0.04684719  0.12941162  0.91154359
   0.07087168  0.56536877  0.08919932
   0.38222069  0.69676674  0.26855374
   0.07584607  0.83166826  0.04433626
   0.36004370  0.92821402  0.32919967
   0.39858845  0.90420593  0.14375597
   0.16112627  0.83038874  0.22026416
   0.30627928  0.67445380  0.45150977
   0.05238956  0.64490828  0.41704432
   0.17965378  0.52499924  0.56569473
   0.31824322  0.73658324  0.77699639
   0.13007472  0.78768439  0.56326635
   0.37279947  1.02812317  0.79728173
   0.42810010  0.92258575  0.63229900
   0.16749140  0.98480539  0.69140188
   0.26988795  0.66663347 -0.02926307
   0.00744106  0.65794172  0.90948216
   0.61096918  0.05759046  0.09208836
   0.79677428  0.18367054  0.26583508
   0.63177038  0.31364214  0.03933172
   0.93166649  0.44480330  0.33436263
   0.03367427  0.34071103  0.18749434
   0.77704952  0.43868721  0.16894341
   0.74175338  0.16974993  0.43720313
   0.48314318  0.12727544  0.43052314
   0.62552145  0.10434762  0.59444411
   0.84697828  0.21119101  0.79225813
   0.59369325  0.35302387  0.52745862
   0.85791187  0.45449074  0.85546983
   0.96181029  0.46910672  0.65525884
   0.71159026  0.41504355  0.68879418
   0.79899350  0.13175938  0.96957697
   0.55338386  0.11766170  0.92338610
   0.56247550  0.55696027  0.07707094
   0.82973260  0.69061120  0.29995588
   0.60480271  0.81895190  0.04342643
   0.83977652  0.95058136  0.34364174
   0.88906748  0.85318182  0.16263985
   0.64034198  0.86412365  0.22893196
   0.81618381  0.57610888  0.47518702
   0.55146584  0.56383420  0.39010596
   0.58533358  0.61904618  0.57187806
   0.79345485  0.72028028  0.80194500
   0.65126258  0.78766154  0.43009372
   0.89426720  0.95596445  0.83476429
   0.92112793  0.85497319  0.67275255
   0.67356214  0.95309271  0.73738659
   0.77430989  0.66076246  0.96704612
   0.50370494  0.66852251  0.91104189
   0.65923982  0.85118545  0.57668586
   0.72415054  0.83858482  0.46618855
   0.87757591  0.22188207  0.10409173
   1.02291369  0.40544336  0.33365001
   0.31467987  0.15446981  0.62687484
   0.28116572  0.68119122  0.73299061
  -0.01243111  1.12006301  0.13777294
   0.21188838  1.09224711  0.05716070
   0.64222789  0.32702499  0.85289917
   0.91305188  0.49892973  0.59626506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831836    0.574568    0.047384
    -0.000000    9.825326    0.165949
    -0.000000    0.000000   14.167454
   Si   O    H 
    32    64    10
Direct configuration=  1290
   0.17044798  0.17965131 -0.02103346
   0.36132118  0.08223284  0.36616016
   0.12715307  0.40687194  0.10800746
   0.37733475  0.35470537  0.24454577
   0.09470121  0.14813646  0.48334076
   0.43666859  0.15643701  0.85559633
   0.11536622  0.40811321  0.62653557
   0.35677372  0.39785950  0.75640466
   0.10629041  0.68165234  0.00402116
   0.38656086  0.59856646  0.35951715
   0.04496246  0.90777570  0.14505983
   0.31479892  0.84576372  0.23583216
   0.16160558  0.65262422  0.49859368
   0.35823092  0.64826998  0.87453374
   0.06111856  0.91766176  0.62072703
   0.32207655  1.02732469  0.68586255
   0.64596185  0.16042647  1.01109941
   0.84869906  0.11425649  0.36159731
   0.62207031  0.42450639  0.12423643
   0.86630198  0.29581869  0.19130563
   0.60235637  0.18480192  0.49615816
   0.89071574  0.10765079  0.87543420
   0.57973115  0.46088808  0.61935068
   0.75399022  0.35978999  0.79307660
   0.61447831  0.66946472 -0.00488776
   0.91042685  0.59412076  0.37553342
   0.57092210  0.91550398  0.13142441
   0.79764042  0.84839694  0.26272621
   0.65065535  0.63339933  0.46789973
   0.86612120  0.61467946  0.87805083
   0.59722526  0.95452325  0.63525770
   0.81647877  0.87232672  0.75761465
   0.05071331  0.05919092  0.16711975
   0.35606674  0.19192343  0.27402103
   0.10415583  0.33038379  0.00802063
   0.33775798  0.43916086  0.34088642
   0.52762424  0.38333699  0.21178781
   0.28901998  0.38732816  0.14833699
   0.24167889  0.08946335  0.44739005
  -0.00416286  0.16260498  0.39256057
   0.01613261  0.04476174  0.55075427
   0.45267035  0.26267238  0.76904691
   0.10024460  0.29169843  0.54757695
   0.37416510  0.47279456  0.85852382
   0.42978539  0.45939212  0.66595145
   0.21558679  0.36677968  0.71764671
   0.30951910  0.19591614 -0.07576038
   0.04554096  0.12879623  0.91079055
   0.07136503  0.56557845  0.08875492
   0.38073445  0.69480361  0.26858092
   0.07711312  0.83074664  0.04390053
   0.36079970  0.92786504  0.32856978
   0.39772044  0.90295617  0.14369618
   0.16205329  0.82995855  0.21992125
   0.30495855  0.67535464  0.45093077
   0.05359502  0.64437321  0.41612069
   0.17890635  0.52505899  0.56581993
   0.31859286  0.73748644  0.77702298
   0.12913979  0.78716627  0.56306433
   0.37480328  1.02914896  0.79714648
   0.42863096  0.92293771  0.63322142
   0.16891638  0.98379088  0.69181193
   0.26949516  0.66520460 -0.03017311
   0.00766516  0.65464325  0.90851629
   0.61201834  0.05845819  0.09302808
   0.79791157  0.18223243  0.26637217
   0.63250456  0.31468621  0.04001170
   0.93191695  0.44535327  0.33315275
   0.03303876  0.34207162  0.18756581
   0.77685681  0.43727135  0.16841862
   0.74228008  0.17016718  0.43726928
   0.48319291  0.12761098  0.43010062
   0.62403638  0.10622597  0.59392029
   0.84629276  0.21190231  0.79082148
   0.59302577  0.35107045  0.52759210
   0.85679700  0.45388176  0.85482544
   0.96172858  0.46718479  0.65587995
   0.71154707  0.41457201  0.68882239
   0.79909303  0.13180769  0.96947300
   0.55283125  0.11855154  0.92374840
   0.56368751  0.55569270  0.07641252
   0.83062055  0.69109532  0.29869145
   0.60367464  0.81679422  0.04332758
   0.83978228  0.94909520  0.34305549
   0.88969095  0.85316990  0.16219611
   0.64021962  0.86261921  0.22967782
   0.81718953  0.57475077  0.47497569
   0.55103527  0.56313370  0.39054699
   0.58500790  0.61774992  0.57230176
   0.79378899  0.71966819  0.80370661
   0.65169024  0.78905031  0.42980819
   0.89329774  0.95570950  0.83623270
   0.92254478  0.85508838  0.67202297
   0.67154254  0.95292476  0.73800771
   0.77379197  0.66146673  0.96783687
   0.50299719  0.66726521  0.90982138
   0.66373280  0.84553978  0.57951290
   0.71851891  0.84225579  0.46787688
   0.87670216  0.22001306  0.10129428
   1.01466932  0.40175048  0.33391470
   0.31887448  0.15235254  0.63045384
   0.27446285  0.67895869  0.72911620
  -0.01852740  1.12889812  0.13374835
   0.20366752  1.09145981  0.05798427
   0.64580524  0.32148441  0.85478849
   0.91643464  0.50215727  0.59375890
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830921    0.573362    0.048652
    -0.000000    9.823194    0.162894
    -0.000000    0.000000   14.166886
   Si   O    H 
    32    64    10
Direct configuration=  1291
   0.17078335  0.17904873 -0.02107173
   0.36142775  0.08265541  0.36666720
   0.12825969  0.40783617  0.10788457
   0.37675571  0.35467929  0.24380032
   0.09451801  0.14944567  0.48305403
   0.43613276  0.15636111  0.85461152
   0.11451064  0.40767733  0.62676004
   0.35553655  0.39769340  0.75738663
   0.10651272  0.68218293  0.00358403
   0.38671948  0.59937668  0.35972382
   0.04464945  0.90700659  0.14457948
   0.31541180  0.84596384  0.23590172
   0.16125123  0.65303525  0.49800267
   0.35816666  0.64766024  0.87375882
   0.06233773  0.91763448  0.62022509
   0.32190960  1.02656176  0.68666126
   0.64570894  0.15981142  1.01109696
   0.84979858  0.11315909  0.36146868
   0.62049290  0.42493349  0.12326458
   0.86644821  0.29762984  0.19083148
   0.60296594  0.18374157  0.49606800
   0.89048165  0.10625935  0.87625968
   0.58033616  0.46023198  0.62028159
   0.75382951  0.35918076  0.79282466
   0.61401506  0.66920033 -0.00413760
   0.91209402  0.59389230  0.37598899
   0.57004201  0.91504309  0.13247287
   0.79865324  0.84851259  0.26154225
   0.65167710  0.63360039  0.46795381
   0.86472999  0.61453207  0.87849470
   0.59759387  0.95460090  0.63537551
   0.81659049  0.87152580  0.75700712
   0.05276957  0.05815943  0.16606853
   0.35540089  0.19284728  0.27435738
   0.10267824  0.33050792  0.00801176
   0.33849133  0.43763127  0.34138531
   0.52914888  0.38293524  0.21217622
   0.28832103  0.38647527  0.14907541
   0.24108549  0.08951306  0.44548715
  -0.00638193  0.16327608  0.39240115
   0.01627105  0.04498292  0.54974913
   0.45200057  0.26319940  0.76927046
   0.10022095  0.29070325  0.54792883
   0.37392212  0.47420370  0.85912041
   0.43074618  0.46052337  0.66404867
   0.21378032  0.36622516  0.71628377
   0.30908589  0.19557983 -0.07572668
   0.04384616  0.12776206  0.90989662
   0.07206842  0.56593778  0.08827816
   0.37870451  0.69267504  0.26871063
   0.07844178  0.83058831  0.04399735
   0.36095858  0.92759639  0.32820947
   0.39719215  0.90158021  0.14375982
   0.16288147  0.82912096  0.21960038
   0.30443902  0.67602960  0.44976709
   0.05439937  0.64401494  0.41579510
   0.17895452  0.52576918  0.56664830
   0.31855707  0.73791455  0.77650455
   0.12817474  0.78720213  0.56283271
   0.37653014  1.02974745  0.79768967
   0.42968151  0.92291414  0.63429093
   0.16947583  0.98284102  0.69222253
   0.26777498  0.66417494 -0.03108454
   0.00888411  0.65192803  0.90797831
   0.61393962  0.05916212  0.09417735
   0.79922093  0.18164454  0.26611338
   0.63342879  0.31646719  0.04064772
   0.93056501  0.44638718  0.33160524
   0.03247590  0.34362429  0.18778811
   0.77678170  0.43537395  0.16746891
   0.74265004  0.17053039  0.43727758
   0.48324103  0.12789289  0.43033469
   0.62235156  0.10790560  0.59350203
   0.84575334  0.21347512  0.78908455
   0.59268056  0.34871958  0.52811961
   0.85540149  0.45304272  0.85451914
   0.96191047  0.46569760  0.65638868
   0.71055822  0.41385053  0.68924872
   0.79928638  0.13087156  0.96940717
   0.55284260  0.11927187  0.92416165
   0.56479174  0.55576475  0.07523806
   0.83143328  0.69134559  0.29821897
   0.60255992  0.81540984  0.04421165
   0.83969941  0.94808729  0.34214366
   0.89059745  0.85318318  0.16163399
   0.64070624  0.86150022  0.23029993
   0.81845125  0.57436710  0.47498391
   0.55042551  0.56300172  0.39113871
   0.58477885  0.61619808  0.57329845
   0.79460291  0.71948248  0.80461805
   0.65221001  0.79045023  0.42989431
   0.89232449  0.95555016  0.83791612
   0.92392022  0.85534119  0.67095381
   0.66950452  0.95321750  0.73801537
   0.77274298  0.66196157  0.96835836
   0.50360084  0.66608370  0.90867537
   0.66710428  0.84033546  0.58340240
   0.70540099  0.84408064  0.46749517
   0.87422988  0.21837591  0.09726593
   1.02596755  0.39173191  0.33547193
   0.32306142  0.15027056  0.63412002
   0.27406830  0.67824926  0.72941811
  -0.01831836  1.13287009  0.13243419
   0.19434677  1.08804879  0.05901258
   0.64639583  0.31846087  0.85770813
   0.92011072  0.50223169  0.59675214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830015    0.572156    0.049882
    -0.000000    9.821150    0.159528
    -0.000000    0.000000   14.166512
   Si   O    H 
    32    64    10
Direct configuration=  1292
   0.17053196  0.17837836 -0.02170723
   0.36162592  0.08322959  0.36749829
   0.12957381  0.40885565  0.10816293
   0.37627455  0.35420523  0.24305047
   0.09464746  0.15128182  0.48289487
   0.43496733  0.15644930  0.85395732
   0.11396292  0.40707279  0.62645934
   0.35429053  0.39737531  0.75803488
   0.10706126  0.68228508  0.00304080
   0.38786527  0.59991255  0.35968027
   0.04367468  0.90561267  0.14453867
   0.31604080  0.84571968  0.23602611
   0.16065759  0.65415817  0.49761146
   0.35790752  0.64773456  0.87307255
   0.06276306  0.91756238  0.62010133
   0.32182503  1.02613326  0.68752361
   0.64544308  0.15939089  1.01096143
   0.85065994  0.11141616  0.36161212
   0.61894496  0.42516395  0.12273890
   0.86678137  0.29923308  0.19042609
   0.60403004  0.18315592  0.49624748
   0.89123593  0.10468443  0.87701750
   0.58096339  0.45969423  0.62120558
   0.75456866  0.35795887  0.79261394
   0.61310273  0.66875083 -0.00356515
   0.91363611  0.59348905  0.37641966
   0.56805425  0.91476140  0.13346355
   0.79983679  0.84792977  0.26052729
   0.65243658  0.63321565  0.46772127
   0.86319723  0.61395755  0.87889750
   0.59752623  0.95470051  0.63532864
   0.81652087  0.87075125  0.75679251
   0.05430683  0.05805541  0.16470301
   0.35528676  0.19342692  0.27469340
   0.10113752  0.33161036  0.00843181
   0.33977167  0.43670683  0.34222606
   0.53019277  0.38230680  0.21316196
   0.28686167  0.38597078  0.14923308
   0.24059809  0.08884587  0.44372897
  -0.00815343  0.16461640  0.39218831
   0.01599525  0.04473753  0.54871217
   0.45169454  0.26388220  0.76972245
   0.10046695  0.28938196  0.54738871
   0.37344686  0.47616133  0.85928699
   0.43193990  0.46108378  0.66279222
   0.21121594  0.36550097  0.71528066
   0.30849780  0.19539602 -0.07535039
   0.04298106  0.12659870  0.90878172
   0.07322390  0.56672460  0.08783891
   0.37743478  0.69156575  0.26847975
   0.07923108  0.83103746  0.04429668
   0.36111965  0.92748590  0.32821641
   0.39744551  0.89945025  0.14417331
   0.16225167  0.82835940  0.21888274
   0.30503673  0.67674059  0.44815241
   0.05510794  0.64449340  0.41522144
   0.17909864  0.52619592  0.56748057
   0.31858209  0.73777845  0.77611433
   0.12749090  0.78693033  0.56315393
   0.37877772  1.03009403  0.79753552
   0.43196158  0.92351385  0.63506093
   0.16982647  0.98153109  0.69176832
   0.26536073  0.66374785 -0.03204149
   0.01089768  0.64927008  0.90773921
   0.61615000  0.05954898  0.09562466
   0.80032410  0.18185570  0.26507029
   0.63466053  0.31813330  0.04098309
   0.93052438  0.44641148  0.33039005
   0.03156297  0.34457757  0.18823819
   0.77719737  0.43317096  0.16706067
   0.74241267  0.17125969  0.43694435
   0.48377254  0.12855826  0.43106624
   0.62158590  0.10861788  0.59340877
   0.84544041  0.21543695  0.78727907
   0.59323135  0.34604997  0.52886142
   0.85414178  0.45198168  0.85470490
   0.96140773  0.46474967  0.65651975
   0.70902396  0.41350410  0.68967518
   0.79949302  0.12981084  0.96921115
   0.55369142  0.11922915  0.92464137
   0.56545403  0.55706304  0.07379082
   0.83216622  0.69142257  0.29794623
   0.60199811  0.81401555  0.04531573
   0.84027506  0.94675591  0.34103319
   0.89161768  0.85321359  0.16212410
   0.64237150  0.86077763  0.23076291
   0.81942570  0.57365256  0.47496350
   0.54946151  0.56346472  0.39135750
   0.58438330  0.61462452  0.57447240
   0.79504469  0.71934308  0.80438008
   0.65249539  0.79102488  0.42951057
   0.89132001  0.95661780  0.83918196
   0.92509584  0.85596610  0.66994015
   0.66808153  0.95356849  0.73789600
   0.77118662  0.66191910  0.96926219
   0.50611325  0.66489896  0.90729696
   0.66686756  0.84044157  0.58898976
   0.69674741  0.85086364  0.46822260
   0.87125911  0.21938601  0.09683544
   1.02645653  0.39015063  0.33382433
   0.32458252  0.15251458  0.63508942
   0.27603936  0.68415013  0.73341904
  -0.01070062  1.12833629  0.13455529
   0.18898336  1.08591871  0.05860380
   0.64362865  0.32318555  0.85972482
   0.92393050  0.50170423  0.60114433
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829571    0.570421    0.051182
    -0.000000    9.819446    0.156772
    -0.000000    0.000000   14.165976
   Si   O    H 
    32    64    10
Direct configuration=  1293
   0.16942861  0.17824870 -0.02227338
   0.36136615  0.08393786  0.36789186
   0.13047940  0.40995005  0.10828533
   0.37576131  0.35382010  0.24214844
   0.09403335  0.15333568  0.48332510
   0.43308285  0.15637581  0.85339027
   0.11334480  0.40652124  0.62603066
   0.35326301  0.39737491  0.75876236
   0.10802202  0.68142073  0.00229674
   0.38884620  0.59975753  0.35953919
   0.04322628  0.90366947  0.14476734
   0.31678537  0.84474898  0.23592132
   0.16003908  0.65519465  0.49751568
   0.35704259  0.64754883  0.87247171
   0.06277958  0.91712498  0.61989898
   0.32147580  1.02691117  0.68892708
   0.64543379  0.15879971  1.01039725
   0.85157142  0.10992287  0.36196614
   0.61756463  0.42553527  0.12261292
   0.86734825  0.29999939  0.19006124
   0.60511956  0.18305200  0.49641578
   0.89205011  0.10410934  0.87747099
   0.58213626  0.45868507  0.62200602
   0.75479429  0.35664669  0.79264268
   0.61261137  0.66824712 -0.00309469
   0.91484595  0.59337103  0.37701539
   0.56658456  0.91375813  0.13428083
   0.80088246  0.84635084  0.25955033
   0.65286825  0.63246029  0.46753147
   0.86177881  0.61328074  0.87962524
   0.59785282  0.95463206  0.63547894
   0.81583491  0.86991168  0.75687755
   0.05598690  0.05924529  0.16323069
   0.35568782  0.19385892  0.27487915
   0.10002894  0.33281240  0.00866325
   0.34149919  0.43704673  0.34246422
   0.53188038  0.38118041  0.21380116
   0.28441947  0.38557996  0.14919683
   0.23954495  0.08905335  0.44252930
  -0.00965219  0.16535575  0.39172378
   0.01667237  0.04397781  0.54767857
   0.45207326  0.26434198  0.77041678
   0.10044476  0.28787483  0.54672546
   0.37270185  0.47875475  0.85872646
   0.43227351  0.46221627  0.66171790
   0.20860545  0.36430592  0.71448063
   0.30728131  0.19617561 -0.07539085
   0.04175582  0.12522300  0.90825887
   0.07465449  0.56817311  0.08696461
   0.37620129  0.69094963  0.26816391
   0.08004787  0.83229412  0.04481900
   0.36079369  0.92784380  0.32844622
   0.39772700  0.89770039  0.14411635
   0.16131013  0.82828070  0.21805919
   0.30567616  0.67718173  0.44679679
   0.05563674  0.64583193  0.41441152
   0.17931805  0.52736589  0.56829960
   0.31866788  0.73800062  0.77581081
   0.12722008  0.78604322  0.56325002
   0.38034487  1.02993478  0.79756903
   0.43454349  0.92409247  0.63593946
   0.17007846  0.97942448  0.69124355
   0.26187874  0.66334999 -0.03261989
   0.01407791  0.64658097  0.90786353
   0.61843150  0.05974007  0.09713425
   0.80175944  0.18235901  0.26387188
   0.63642023  0.31845839  0.04055104
   0.93196552  0.44578545  0.32909452
   0.03078725  0.34441217  0.18941815
   0.77736600  0.43185377  0.16643685
   0.74199200  0.17230824  0.43657179
   0.48448228  0.12916500  0.43168938
   0.62145141  0.10835383  0.59343372
   0.84493594  0.21658793  0.78611947
   0.59329647  0.34351829  0.52970825
   0.85366898  0.45057192  0.85431656
   0.96121990  0.46371711  0.65731890
   0.70699610  0.41423816  0.69016750
   0.80024196  0.12886537  0.96910222
   0.55440371  0.11828040  0.92480196
   0.56550428  0.55938043  0.07226216
   0.83360191  0.69122721  0.29819138
   0.60197606  0.81245560  0.04645947
   0.83998579  0.94676321  0.34045538
   0.89275071  0.85334425  0.16319081
   0.64383295  0.86041877  0.23102487
   0.82009132  0.57313024  0.47530907
   0.54888538  0.56458275  0.39154822
   0.58433874  0.61285031  0.57584798
   0.79486147  0.71808972  0.80373844
   0.65225841  0.79166291  0.42838749
   0.88950124  0.95772069  0.83991081
   0.92673142  0.85647441  0.66909041
   0.66649855  0.95336657  0.73806699
   0.77009002  0.66120861  0.97021763
   0.50935168  0.66392330  0.90651369
   0.66746286  0.84064901  0.59135699
   0.69270316  0.86038100  0.47198596
   0.86581888  0.22215962  0.09701783
   1.01315297  0.39503237  0.33230355
   0.32457360  0.15810108  0.63561810
   0.27089761  0.68619005  0.73361279
  -0.00137407  1.12303508  0.13840722
   0.18796096  1.08204858  0.05573572
   0.64183576  0.32890227  0.86012710
   0.92070348  0.50554965  0.60123829
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829844    0.568622    0.052114
    -0.000000    9.817728    0.153929
    -0.000000    0.000000   14.165467
   Si   O    H 
    32    64    10
Direct configuration=  1294
   0.16822628  0.17797795 -0.02304431
   0.36114043  0.08480095  0.36815309
   0.13119210  0.41131800  0.10818302
   0.37490159  0.35321542  0.24183111
   0.09308390  0.15486720  0.48345348
   0.43109679  0.15541398  0.85317793
   0.11286766  0.40623601  0.62537589
   0.35240457  0.39713843  0.75931063
   0.10930542  0.68060208  0.00136050
   0.38965174  0.59901639  0.35968008
   0.04285564  0.90168319  0.14509994
   0.31750024  0.84376438  0.23567244
   0.15979639  0.65655890  0.49729130
   0.35627247  0.64717655  0.87195634
   0.06231907  0.91600332  0.61950101
   0.32136461  1.02790871  0.69059093
   0.64569063  0.15801124  1.00915536
   0.85296296  0.10830940  0.36207151
   0.61713666  0.42591975  0.12246565
   0.86839779  0.30043039  0.18982625
   0.60661562  0.18333094  0.49616643
   0.89268724  0.10457158  0.87773260
   0.58324342  0.45766063  0.62225679
   0.75550250  0.35544038  0.79265042
   0.61212626  0.66825347 -0.00256670
   0.91554290  0.59356466  0.37734658
   0.56462653  0.91334899  0.13478810
   0.80163027  0.84401875  0.25844344
   0.65305525  0.63193822  0.46720391
   0.86100795  0.61236576  0.88026255
   0.59772322  0.95434743  0.63549801
   0.81550753  0.86878991  0.75719778
   0.05817936  0.05986473  0.16226400
   0.35718500  0.19325965  0.27519180
   0.09951390  0.33332275  0.00860376
   0.34270915  0.43845963  0.34251100
   0.53273641  0.37988291  0.21405611
   0.28301562  0.38545638  0.14894172
   0.23858749  0.08958851  0.44234880
  -0.01002974  0.16642050  0.39170922
   0.01669546  0.04166732  0.54727984
   0.45245955  0.26478457  0.77139157
   0.09980460  0.28642945  0.54598590
   0.37199323  0.48148675  0.85782174
   0.43259896  0.46297598  0.66095505
   0.20591753  0.36404837  0.71418191
   0.30606500  0.19761642 -0.07557972
   0.04145541  0.12406572  0.90736944
   0.07589864  0.57015116  0.08598354
   0.37518676  0.69004439  0.26730938
   0.08020698  0.83334827  0.04482358
   0.35994474  0.92932520  0.32881550
   0.39940880  0.89617434  0.14456618
   0.15987121  0.82839752  0.21748936
   0.30655583  0.67761711  0.44557420
   0.05593007  0.64783540  0.41350870
   0.17905978  0.52903200  0.56881528
   0.31929271  0.73828905  0.77590614
   0.12660690  0.78492957  0.56313859
   0.38061844  1.03025660  0.79791049
   0.43698769  0.92540377  0.63594860
   0.16974302  0.97697259  0.69107220
   0.25869645  0.66335959 -0.03272281
   0.01750712  0.64453020  0.90786549
   0.61980811  0.05992981  0.09904401
   0.80321211  0.18339460  0.26289792
   0.63876054  0.31776399  0.04005724
   0.93362504  0.44630601  0.32760485
   0.02988457  0.34380643  0.19125184
   0.77695848  0.43201285  0.16582424
   0.74249476  0.17362274  0.43616808
   0.48497108  0.13013205  0.43251111
   0.62215704  0.10665654  0.59397827
   0.84496924  0.21725834  0.78560780
   0.59373812  0.34193915  0.53052839
   0.85280997  0.45006622  0.85402032
   0.96055599  0.46316702  0.65793516
   0.70552224  0.41536705  0.69105330
   0.79987979  0.12800791  0.96898794
   0.55496654  0.11726757  0.92492202
   0.56520446  0.56232569  0.07085054
   0.83405109  0.69131800  0.29882166
   0.60242154  0.81102529  0.04814480
   0.84012150  0.94696341  0.34012440
   0.89356613  0.85295951  0.16451466
   0.64575220  0.86072933  0.23141079
   0.82072667  0.57241647  0.47488442
   0.54871652  0.56538971  0.39200408
   0.58530001  0.61074192  0.57683821
   0.79382165  0.71537717  0.80301059
   0.65178708  0.79210208  0.42792942
   0.88685647  0.95752677  0.84031138
   0.92876170  0.85727298  0.66868068
   0.66515135  0.95312613  0.73845461
   0.76941765  0.66080510  0.97071810
   0.51228209  0.66335926  0.90599557
   0.67162572  0.83758063  0.59128506
   0.68476552  0.86361999  0.47188448
   0.85801885  0.22546821  0.09968977
   1.01014800  0.39367045  0.33062410
   0.32124266  0.16409727  0.63762276
   0.26156126  0.68339280  0.72812645
  -0.00434173  1.13083172  0.13656961
   0.19199009  1.08295618  0.05099757
   0.63956571  0.33607879  0.86100617
   0.91663180  0.50802384  0.60190089
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830214    0.566638    0.052400
    -0.000000    9.815913    0.151303
    -0.000000    0.000000   14.164965
   Si   O    H 
    32    64    10
Direct configuration=  1295
   0.16627569  0.17730116 -0.02382930
   0.36060947  0.08530242  0.36842250
   0.13130735  0.41214002  0.10827941
   0.37403470  0.35303761  0.24158813
   0.09202328  0.15586693  0.48327186
   0.42988494  0.15388945  0.85328440
   0.11202286  0.40589998  0.62447420
   0.35159103  0.39811550  0.75989699
   0.11000351  0.67956941  0.00076961
   0.39023664  0.59768062  0.36021839
   0.04304847  0.89949497  0.14493975
   0.31775669  0.84313318  0.23563973
   0.16005950  0.65833621  0.49708932
   0.35629121  0.64653072  0.87175483
   0.06197740  0.91509032  0.61917032
   0.32193109  1.02884101  0.69223384
   0.64641906  0.15766274  1.00807446
   0.85381653  0.10677081  0.36188128
   0.61696833  0.42684063  0.12244319
   0.87009363  0.30077683  0.18955850
   0.60774934  0.18424057  0.49583537
   0.89251789  0.10579349  0.87782127
   0.58438982  0.45667863  0.62213089
   0.75588013  0.35460237  0.79297823
   0.61178061  0.66838173 -0.00213196
   0.91524974  0.59374620  0.37770535
   0.56254560  0.91303708  0.13558239
   0.80222917  0.84132701  0.25734925
   0.65295518  0.63139866  0.46711422
   0.86045281  0.61178788  0.88113285
   0.59758440  0.95453059  0.63577407
   0.81546918  0.86765974  0.75734953
   0.05991080  0.06077185  0.16201129
   0.35895461  0.19235104  0.27563996
   0.09938824  0.33378184  0.00866195
   0.34414582  0.43960319  0.34233383
   0.53314615  0.37895590  0.21424500
   0.28109019  0.38634995  0.14864982
   0.23712732  0.08992708  0.44238293
  -0.01001137  0.16793015  0.39169026
   0.01654997  0.03909707  0.54704993
   0.45250043  0.26478857  0.77234399
   0.09998465  0.28564341  0.54512586
   0.37124651  0.48397599  0.85633571
   0.43160083  0.46433814  0.66058023
   0.20384430  0.36440174  0.71348735
   0.30531178  0.19918304 -0.07609676
   0.04199632  0.12320473  0.90669326
   0.07648356  0.57156079  0.08549185
   0.37475567  0.68873015  0.26642748
   0.07996627  0.83388082  0.04498449
   0.35878956  0.93099803  0.32899407
   0.40073556  0.89445037  0.14472667
   0.15882760  0.82859758  0.21695347
   0.30726675  0.67780356  0.44445743
   0.05586849  0.64950331  0.41258712
   0.17867939  0.53060030  0.56936255
   0.31907006  0.73767550  0.77645600
   0.12618656  0.78422160  0.56246438
   0.38087011  1.03087847  0.79843632
   0.43981498  0.92579697  0.63589324
   0.16978875  0.97526614  0.69153609
   0.25586236  0.66302497 -0.03282160
   0.02050016  0.64230653  0.90746971
   0.62052967  0.06029324  0.10090535
   0.80495394  0.18519923  0.26177708
   0.64064416  0.31672064  0.03887696
   0.93441756  0.44769670  0.32621147
   0.02932517  0.34336803  0.19262306
   0.77613563  0.43237105  0.16481204
   0.74217790  0.17514084  0.43580234
   0.48496870  0.13064720  0.43297140
   0.62339260  0.10416185  0.59483330
   0.84479057  0.21717450  0.78502473
   0.59426251  0.34080796  0.53146394
   0.85268565  0.45029894  0.85345435
   0.96007435  0.46302658  0.65833547
   0.70424395  0.41690531  0.69172399
   0.79913616  0.12736065  0.96898139
   0.55437141  0.11622433  0.92487759
   0.56445811  0.56493553  0.07029508
   0.83495120  0.69164660  0.29993045
   0.60199109  0.80992023  0.04937268
   0.83992982  0.94757576  0.34000039
   0.89409576  0.85269615  0.16516957
   0.64696624  0.86147747  0.23125780
   0.82128455  0.57216793  0.47452923
   0.54831401  0.56660848  0.39259397
   0.58605037  0.60924280  0.57712143
   0.79377840  0.71304162  0.80214224
   0.65160257  0.79320618  0.42781664
   0.88529279  0.95724098  0.84043989
   0.92980779  0.85919224  0.66833015
   0.66530168  0.95244090  0.73887122
   0.76894808  0.65978393  0.97154923
   0.51516535  0.66356275  0.90543941
   0.67537713  0.83269680  0.58813277
   0.67675114  0.85833026  0.46856171
   0.85593118  0.22669017  0.10265187
   1.02120825  0.38207493  0.32856970
   0.31972168  0.16434693  0.64005876
   0.25694719  0.69003248  0.73036245
  -0.00948869  1.13809342  0.13340109
   0.19565476  1.08233701  0.04678375
   0.63779979  0.34475891  0.86090231
   0.91429939  0.51267573  0.60483154
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831077    0.564208    0.052174
    -0.000000    9.814361    0.149035
    -0.000000    0.000000   14.164270
   Si   O    H 
    32    64    10
Direct configuration=  1296
   0.16397452  0.17722634 -0.02446192
   0.36058389  0.08549170  0.36840935
   0.13134014  0.41304244  0.10856936
   0.37316237  0.35268120  0.24152658
   0.09114709  0.15615790  0.48270820
   0.42829403  0.15291205  0.85378845
   0.11167378  0.40567476  0.62329339
   0.35115538  0.39872224  0.75993095
   0.10977725  0.67912330  0.00026890
   0.39043086  0.59695311  0.36077585
   0.04322538  0.89819339  0.14484320
   0.31800142  0.84238415  0.23597041
   0.16112494  0.65985706  0.49655856
   0.35555010  0.64625765  0.87156461
   0.06195753  0.91319239  0.61872974
   0.32292616  1.02993727  0.69336109
   0.64688409  0.15742109  1.00756356
   0.85371104  0.10551692  0.36176092
   0.61732498  0.42768378  0.12285383
   0.87177190  0.30138041  0.18951093
   0.60883032  0.18533197  0.49516811
   0.89230757  0.10739175  0.87771203
   0.58480228  0.45527526  0.62131843
   0.75619623  0.35395979  0.79362734
   0.61148415  0.66889792 -0.00190901
   0.91470287  0.59372723  0.37774700
   0.56089717  0.91334725  0.13638257
   0.80230743  0.83869892  0.25686589
   0.65331276  0.63096361  0.46677392
   0.86013772  0.61088046  0.88190452
   0.59746728  0.95510334  0.63541525
   0.81559885  0.86652491  0.75792307
   0.06035759  0.06283765  0.16158769
   0.36013768  0.19160796  0.27583300
   0.09913135  0.33506754  0.00867080
   0.34561209  0.44076620  0.34209910
   0.53314496  0.37800125  0.21459070
   0.27857329  0.38748446  0.14846792
   0.23537383  0.09158114  0.44274624
  -0.00918379  0.16936760  0.39218528
   0.01559039  0.03679365  0.54667961
   0.45301484  0.26509789  0.77280131
   0.10098150  0.28486531  0.54386678
   0.37034723  0.48609143  0.85508260
   0.42997117  0.46526165  0.66168716
   0.20273476  0.36467632  0.71332108
   0.30422977  0.20112769 -0.07664009
   0.04208582  0.12279686  0.90619179
   0.07783836  0.57314210  0.08532619
   0.37478621  0.68794890  0.26607934
   0.07928596  0.83453697  0.04492642
   0.35902037  0.93319655  0.32906798
   0.40153011  0.89298879  0.14463452
   0.15730073  0.82904468  0.21678257
   0.30775727  0.67780032  0.44336348
   0.05574121  0.65070467  0.41140517
   0.17796808  0.53260830  0.56961278
   0.31925435  0.73601587  0.77754456
   0.12460422  0.78402519  0.56197082
   0.38092441  1.03033436  0.79828807
   0.44182584  0.92702816  0.63615144
   0.16996197  0.97393375  0.69169641
   0.25490155  0.66315288 -0.03322998
   0.02397980  0.64049683  0.90715427
   0.62080491  0.06072894  0.10262099
   0.80695050  0.18786556  0.26086527
   0.64314397  0.31591865  0.03812101
   0.93634573  0.44840728  0.32489206
   0.02856181  0.34357376  0.19348257
   0.77521426  0.43370175  0.16377727
   0.74218281  0.17580551  0.43451304
   0.48482978  0.13074171  0.43310293
   0.62426180  0.10183041  0.59595290
   0.84437201  0.21591476  0.78429962
   0.59506598  0.33994733  0.53209448
   0.85334440  0.45037896  0.85350018
   0.96074534  0.46220155  0.65894415
   0.70259796  0.41768213  0.69273796
   0.79858563  0.12700404  0.96904732
   0.55372436  0.11481493  0.92474905
   0.56327397  0.56691737  0.07055279
   0.83496479  0.69172234  0.30105804
   0.60100223  0.80935303  0.05045114
   0.84046788  0.94768110  0.34028968
   0.89419971  0.85252028  0.16577524
   0.64733617  0.86275099  0.23102304
   0.82193044  0.57183295  0.47390178
   0.54851191  0.56762124  0.39251024
   0.58735826  0.60819777  0.57764435
   0.79459216  0.71101753  0.80064705
   0.65084431  0.79358179  0.42774469
   0.88329174  0.95687370  0.84001514
   0.93007285  0.86139580  0.66881342
   0.66617403  0.95162476  0.73899061
   0.76809896  0.65801990  0.97220119
   0.51804583  0.66464956  0.90489893
   0.67649548  0.83328261  0.58548208
   0.67565088  0.85962794  0.47208685
   0.85601339  0.22724125  0.10424030
   1.02006669  0.37900450  0.32664358
   0.31508870  0.16238560  0.64120041
   0.25808314  0.69915259  0.73464682
  -0.00672783  1.13328611  0.13280252
   0.19833608  1.07935854  0.04452080
   0.63587808  0.35218263  0.85676243
   0.91271368  0.51374722  0.60966594
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831886    0.562007    0.051633
    -0.000000    9.812911    0.146900
    -0.000000    0.000000   14.163984
   Si   O    H 
    32    64    10
Direct configuration=  1297
   0.16142986  0.17751287 -0.02463716
   0.36060654  0.08530114  0.36841146
   0.13065595  0.41404876  0.10877850
   0.37254831  0.35217330  0.24163102
   0.08969205  0.15605306  0.48191642
   0.42681335  0.15266809  0.85409976
   0.11137300  0.40497089  0.62224949
   0.35085687  0.39906001  0.75944877
   0.10833578  0.67897401 -0.00025312
   0.39142483  0.59607689  0.36100651
   0.04413039  0.89773691  0.14537431
   0.31855712  0.84142077  0.23682164
   0.16234288  0.66072515  0.49607494
   0.35514975  0.64576926  0.87166594
   0.06180992  0.91156189  0.61866185
   0.32438275  1.03026659  0.69381883
   0.64750703  0.15706203  1.00746420
   0.85330888  0.10483903  0.36160446
   0.61737775  0.42752148  0.12276388
   0.87294741  0.30187103  0.18969577
   0.60984025  0.18627097  0.49464375
   0.89068097  0.10903252  0.87734495
   0.58450625  0.45365777  0.62004289
   0.75673104  0.35359324  0.79433374
   0.61083536  0.66906605 -0.00192923
   0.91422243  0.59349639  0.37756538
   0.55950351  0.91374987  0.13708630
   0.80265714  0.83550896  0.25635953
   0.65415376  0.63022377  0.46648985
   0.85948549  0.61011355  0.88277330
   0.59691859  0.95546198  0.63490475
   0.81595105  0.86571805  0.75867858
   0.06096543  0.06469424  0.16057035
   0.36165639  0.19079888  0.27542239
   0.09975864  0.33611302  0.00858771
   0.34709180  0.44150960  0.34181007
   0.53204082  0.37669694  0.21427612
   0.27756947  0.38788717  0.14824104
   0.23300369  0.09332266  0.44339453
  -0.00816690  0.17137510  0.39183166
   0.01458265  0.03492312  0.54615814
   0.45344291  0.26569989  0.77362521
   0.10261252  0.28441758  0.54272387
   0.36959744  0.48800265  0.85408173
   0.42853194  0.46599614  0.66376842
   0.20166314  0.36464015  0.71345197
   0.30312931  0.20351478 -0.07728558
   0.04269713  0.12336932  0.90606758
   0.07867096  0.57446712  0.08561371
   0.37537220  0.68715094  0.26587442
   0.07945455  0.83509025  0.04427215
   0.35934711  0.93496616  0.32926092
   0.40189630  0.89142090  0.14508811
   0.15637198  0.82918557  0.21681064
   0.30790502  0.67740459  0.44262061
   0.05590699  0.65142586  0.40974627
   0.17695431  0.53365276  0.56988467
   0.31984965  0.73463222  0.77859419
   0.12251002  0.78451225  0.56120181
   0.38096629  1.02919283  0.79767026
   0.44327459  0.92870439  0.63603742
   0.17001443  0.97164786  0.69217329
   0.25537604  0.66449276 -0.03409680
   0.02664950  0.63924181  0.90771036
   0.62063605  0.06112886  0.10390827
   0.80906866  0.19094630  0.26010534
   0.64503984  0.31525027  0.03723252
   0.93832539  0.44885478  0.32415574
   0.02836161  0.34462418  0.19326836
   0.77419619  0.43538330  0.16287234
   0.74322265  0.17554881  0.43336495
   0.48491268  0.13035298  0.43288318
   0.62496033  0.10058182  0.59687212
   0.84509114  0.21427929  0.78402263
   0.59559113  0.33951630  0.53284753
   0.85323160  0.45015602  0.85370928
   0.96166944  0.46115133  0.65974079
   0.70057707  0.41899157  0.69415800
   0.79704042  0.12703641  0.96956541
   0.55198655  0.11342301  0.92425360
   0.56206322  0.56731220  0.07042963
   0.83520141  0.69185851  0.30217515
   0.60057912  0.80963574  0.05204668
   0.84093145  0.94745834  0.34030016
   0.89415599  0.85215993  0.16547206
   0.64721337  0.86469918  0.23026796
   0.82248059  0.57067904  0.47357602
   0.54885822  0.56862125  0.39257907
   0.58921221  0.60790039  0.57754975
   0.79604446  0.71010943  0.79917182
   0.65014983  0.79431898  0.42735870
   0.88193218  0.95612914  0.83918836
   0.93002507  0.86296582  0.67074877
   0.66701442  0.95151195  0.73934422
   0.76772237  0.65561248  0.97238363
   0.52036097  0.66513906  0.90444471
   0.67442967  0.83969653  0.58548451
   0.67508275  0.86184897  0.47511667
   0.86038050  0.22253798  0.10190382
   1.01412446  0.38421099  0.32654893
   0.31012766  0.16226534  0.64270854
   0.25801063  0.70447734  0.73356860
  -0.00188038  1.12555177  0.13010697
   0.20364626  1.07086125  0.04598489
   0.63472530  0.36107744  0.85048384
   0.90778295  0.51609689  0.61390478
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832669    0.559571    0.050915
    -0.000000    9.811933    0.144478
    -0.000000    0.000000   14.164056
   Si   O    H 
    32    64    10
Direct configuration=  1298
   0.15951014  0.17778206 -0.02454170
   0.36021734  0.08561542  0.36827359
   0.12980045  0.41469281  0.10903835
   0.37181941  0.35168414  0.24176758
   0.08840359  0.15582337  0.48133324
   0.42554160  0.15289609  0.85488284
   0.11162704  0.40411732  0.62130356
   0.34972354  0.39976162  0.75885392
   0.10680686  0.67956730 -0.00009881
   0.39249043  0.59471764  0.36128769
   0.04485126  0.89730298  0.14575247
   0.31914821  0.84064301  0.23770508
   0.16386396  0.66193998  0.49571936
   0.35542618  0.64559148  0.87116750
   0.06135564  0.91042982  0.61867593
   0.32590479  1.03042512  0.69365752
   0.64758275  0.15670108  1.00763305
   0.85270468  0.10474983  0.36129094
   0.61779001  0.42709496  0.12266017
   0.87395988  0.30238595  0.18987978
   0.61097830  0.18742893  0.49433230
   0.88888896  0.11047894  0.87640398
   0.58410625  0.45173064  0.61862298
   0.75686467  0.35327539  0.79556719
   0.61113080  0.66939224 -0.00230917
   0.91433368  0.59291082  0.37730531
   0.55907604  0.91425861  0.13736995
   0.80294782  0.83271051  0.25634291
   0.65488972  0.62936656  0.46579109
   0.85866222  0.60953137  0.88316090
   0.59723850  0.95552388  0.63454989
   0.81619470  0.86497856  0.75926936
   0.06205250  0.06567190  0.15993838
   0.36299282  0.19030441  0.27523905
   0.10012287  0.33719130  0.00870956
   0.34691055  0.44212536  0.34093556
   0.53088067  0.37547352  0.21431102
   0.27703951  0.38805712  0.14781837
   0.23088812  0.09503237  0.44398823
  -0.00719242  0.17293524  0.39188300
   0.01386727  0.03446981  0.54572386
   0.45338704  0.26630410  0.77439943
   0.10384013  0.28456335  0.54181907
   0.36861860  0.48905431  0.85294150
   0.42758293  0.46635881  0.66599718
   0.20039733  0.36391974  0.71390481
   0.30189062  0.20585800 -0.07855896
   0.04446882  0.12443787  0.90647802
   0.07970460  0.57492405  0.08535451
   0.37679858  0.68610643  0.26519544
   0.07847724  0.83504776  0.04351138
   0.35841938  0.93614252  0.32918556
   0.40151574  0.89044236  0.14554496
   0.15617933  0.82994548  0.21686888
   0.30805323  0.67725488  0.44227468
   0.05586248  0.65214577  0.40834433
   0.17594453  0.53488686  0.56958208
   0.32040327  0.73373497  0.77923731
   0.12100062  0.78509324  0.56063462
   0.38053467  1.02788027  0.79720099
   0.44359711  0.93024753  0.63595847
   0.16951559  0.96916526  0.69217557
   0.25684448  0.66597446 -0.03516807
   0.02806332  0.63822147  0.90758506
   0.61998790  0.06161142  0.10467626
   0.81137045  0.19308055  0.25960085
   0.64560952  0.31532788  0.03679475
   0.94032423  0.44812719  0.32393715
   0.02798541  0.34593789  0.19262330
   0.77324041  0.43657795  0.16195373
   0.74468372  0.17645048  0.43249513
   0.48531226  0.12961383  0.43270838
   0.62635702  0.09923009  0.59705318
   0.84575042  0.21260879  0.78347274
   0.59624068  0.33884262  0.53370286
   0.85342206  0.45044508  0.85414236
   0.96240978  0.45994198  0.66030277
   0.69925068  0.41982571  0.69512244
   0.79647203  0.12667650  0.96943768
   0.55025771  0.11297378  0.92376812
   0.56054152  0.56699749  0.07099987
   0.83551188  0.69139722  0.30312082
   0.59949549  0.81110627  0.05376997
   0.84124973  0.94651254  0.34049325
   0.89411767  0.85212814  0.16456307
   0.64702890  0.86670988  0.22987200
   0.82248626  0.56926843  0.47312609
   0.54951626  0.56923335  0.39263981
   0.59133571  0.60797279  0.57676060
   0.79745253  0.70860115  0.79779289
   0.64943142  0.79495649  0.42709728
   0.88101111  0.95580261  0.83863745
   0.92995550  0.86403036  0.67225337
   0.66839929  0.95006995  0.74006053
   0.76817573  0.65287832  0.97323765
   0.52172190  0.66591368  0.90382312
   0.67292605  0.85046275  0.58730582
   0.66954790  0.86159706  0.47852617
   0.86767940  0.21535404  0.09996481
   1.01071604  0.38926305  0.32765334
   0.30666797  0.15855351  0.64399365
   0.25533874  0.70762841  0.72788473
  -0.00345546  1.12943671  0.12429797
   0.20613283  1.06378112  0.04626169
   0.63304408  0.36885778  0.84597220
   0.90294052  0.51988691  0.61997900
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833534    0.557375    0.049927
    -0.000000    9.811059    0.141749
    -0.000000    0.000000   14.163667
   Si   O    H 
    32    64    10
Direct configuration=  1299
   0.15742358  0.17794584 -0.02431199
   0.35929183  0.08645332  0.36841724
   0.12963785  0.41515101  0.10960674
   0.37088033  0.35152659  0.24243136
   0.08657403  0.15616320  0.48059120
   0.42483614  0.15317912  0.85591519
   0.11172561  0.40356613  0.62041460
   0.34898950  0.40037409  0.75867623
   0.10569234  0.68067212 -0.00022167
   0.39361937  0.59397493  0.36187886
   0.04551351  0.89733185  0.14617219
   0.32008222  0.83953723  0.23887079
   0.16567730  0.66225933  0.49582057
   0.35573900  0.64589065  0.87094382
   0.06074165  0.90933338  0.61849531
   0.32770798  1.03042476  0.69338682
   0.64715113  0.15651560  1.00827642
   0.85199645  0.10491730  0.36058712
   0.61788883  0.42660321  0.12256600
   0.87461482  0.30304482  0.19005396
   0.61174170  0.18852323  0.49418375
   0.88731143  0.11225930  0.87545947
   0.58414074  0.44981766  0.61755685
   0.75658436  0.35388774  0.79712645
   0.61140440  0.67052495 -0.00307359
   0.91484118  0.59209355  0.37711722
   0.55885560  0.91487059  0.13796872
   0.80305592  0.83111069  0.25663116
   0.65582287  0.62911913  0.46518952
   0.85879024  0.60846766  0.88353681
   0.59734620  0.95543557  0.63445464
   0.81626297  0.86487990  0.75964799
   0.06317743  0.06556639  0.15964932
   0.36429047  0.18922235  0.27500507
   0.10091356  0.33742879  0.00918472
   0.34606609  0.44252330  0.33979257
   0.52897022  0.37454934  0.21436631
   0.27747982  0.38826493  0.14763749
   0.23032981  0.09671567  0.44450655
  -0.00605726  0.17397801  0.39147594
   0.01299718  0.03465001  0.54479097
   0.45347175  0.26622821  0.77478914
   0.10506467  0.28510095  0.54072143
   0.36799164  0.48943692  0.85128347
   0.42701207  0.46695738  0.66827710
   0.19966488  0.36352294  0.71454234
   0.30011399  0.20810675 -0.07960669
   0.04616725  0.12588116  0.90718696
   0.08091045  0.57572880  0.08530855
   0.37699592  0.68494380  0.26429810
   0.07699377  0.83520229  0.04271275
   0.35782459  0.93703586  0.32906188
   0.40089411  0.88941340  0.14616972
   0.15707794  0.83079525  0.21709044
   0.30801648  0.67709667  0.44185365
   0.05524870  0.65328304  0.40707523
   0.17469527  0.53595386  0.56934504
   0.32121731  0.73282255  0.77921440
   0.12041427  0.78548140  0.56057003
   0.37945970  1.02694388  0.79671933
   0.44307372  0.93185770  0.63671851
   0.16999191  0.96671723  0.69255656
   0.25957200  0.66764709 -0.03557980
   0.02837389  0.63724707  0.90741393
   0.61912039  0.06204349  0.10516522
   0.81236565  0.19501952  0.25983407
   0.64616028  0.31499894  0.03581132
   0.94066539  0.44840426  0.32362092
   0.02770846  0.34841396  0.19145006
   0.77204654  0.43809584  0.16133371
   0.74653412  0.17645130  0.43146294
   0.48516010  0.12957697  0.43302556
   0.62824403  0.09811414  0.59737442
   0.84578124  0.21089461  0.78339988
   0.59750654  0.33879458  0.53450058
   0.85406675  0.45081936  0.85446743
   0.96386770  0.45882551  0.66041065
   0.69920404  0.41980339  0.69601235
   0.79630250  0.12621178  0.96968894
   0.54882962  0.11222023  0.92368354
   0.55795383  0.56611179  0.07202648
   0.83598705  0.69089591  0.30436133
   0.59890443  0.81233072  0.05482753
   0.84126124  0.94591033  0.34069813
   0.89379507  0.85211408  0.16292248
   0.64594897  0.86824664  0.22929371
   0.82198179  0.56821391  0.47199129
   0.54999826  0.56899094  0.39250439
   0.59407290  0.60775443  0.57597146
   0.79861670  0.70770093  0.79632378
   0.64862551  0.79558522  0.42691869
   0.87995255  0.95551934  0.83821835
   0.92993434  0.86471214  0.67385326
   0.67061433  0.94748306  0.74116324
   0.76859390  0.65078584  0.97349895
   0.52227160  0.66776088  0.90316540
   0.67679316  0.85978487  0.58558381
   0.66596448  0.85837586  0.47746184
   0.87159705  0.21177932  0.09782972
   1.02664526  0.38261105  0.32920701
   0.30498108  0.15525633  0.64391741
   0.25856345  0.70863869  0.72615682
  -0.00513539  1.12845996  0.12089884
   0.20942135  1.06272827  0.04359749
   0.62710612  0.37080454  0.84402116
   0.89887749  0.51978893  0.62444620
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835060    0.555079    0.049044
    -0.000000    9.810075    0.138917
    -0.000000    0.000000   14.163113
   Si   O    H 
    32    64    10
Direct configuration=  1300
   0.15593203  0.17818579 -0.02420836
   0.35861118  0.08743428  0.36871460
   0.12914316  0.41470235  0.10990557
   0.37065591  0.35110200  0.24336206
   0.08539746  0.15540633  0.47964234
   0.42445549  0.15334942  0.85652148
   0.11218656  0.40294814  0.61936500
   0.34797447  0.40134259  0.75821525
   0.10520748  0.68117806 -0.00053613
   0.39440919  0.59317621  0.36214609
   0.04636992  0.89706656  0.14656406
   0.32104301  0.83824055  0.24021942
   0.16663655  0.66280689  0.49578117
   0.35623102  0.64675077  0.87071801
   0.06001996  0.90869193  0.61829293
   0.32833562  1.03020082  0.69295758
   0.64629448  0.15590143  1.00929012
   0.85098725  0.10506651  0.35993855
   0.61857573  0.42566630  0.12243001
   0.87582682  0.30400164  0.18933588
   0.61238267  0.18974840  0.49403092
   0.88581134  0.11387580  0.87470177
   0.58385624  0.44831649  0.61684136
   0.75555541  0.35465980  0.79904287
   0.61165543  0.67232706 -0.00397804
   0.91540533  0.59147441  0.37733066
   0.55900868  0.91594362  0.13862680
   0.80332060  0.83020582  0.25707333
   0.65648928  0.62926245  0.46457804
   0.85937509  0.60775708  0.88425818
   0.59806224  0.95485658  0.63457018
   0.81652551  0.86507549  0.75993466
   0.06404901  0.06524575  0.15907153
   0.36472767  0.18794899  0.27521515
   0.10182243  0.33674767  0.00995541
   0.34564942  0.44278401  0.33878797
   0.52798322  0.37362199  0.21443011
   0.27829384  0.38827948  0.14794898
   0.23061421  0.09858830  0.44437827
  -0.00519067  0.17458959  0.39081132
   0.01160828  0.03480201  0.54359487
   0.45281377  0.26651987  0.77482886
   0.10626982  0.28484473  0.53981169
   0.36629630  0.48916254  0.84910337
   0.42747037  0.46747547  0.67031539
   0.19849041  0.36383851  0.71539919
   0.29842910  0.21012791 -0.08041019
   0.04766906  0.12746373  0.90804072
   0.08156471  0.57569933  0.08528774
   0.37662669  0.68400170  0.26368795
   0.07575172  0.83570834  0.04171596
   0.35805985  0.93776186  0.32955462
   0.40008189  0.88860040  0.14654309
   0.15907944  0.83181451  0.21733890
   0.30802758  0.67737996  0.44115542
   0.05605881  0.65450161  0.40662364
   0.17423355  0.53708262  0.57014957
   0.32237908  0.73226107  0.77874869
   0.12102801  0.78528443  0.56010355
   0.37789548  1.02581513  0.79638056
   0.44252576  0.93350910  0.63757763
   0.16969790  0.96514704  0.69335205
   0.26196448  0.66904783 -0.03602003
   0.02851065  0.63645330  0.90762314
   0.61799736  0.06292320  0.10513370
   0.81304106  0.19696697  0.25988555
   0.64621737  0.31546658  0.03487151
   0.94212519  0.44768441  0.32282034
   0.02712742  0.35147670  0.19016885
   0.77070684  0.43969730  0.16131328
   0.74863462  0.17655654  0.43037530
   0.48568172  0.12982027  0.43333078
   0.63015516  0.09786739  0.59723120
   0.84560502  0.21011280  0.78435143
   0.59788922  0.33894286  0.53494438
   0.85423392  0.45173692  0.85465745
   0.96520610  0.45782279  0.66068454
   0.69937399  0.42023846  0.69700889
   0.79707787  0.12644123  0.96969457
   0.54766862  0.11144074  0.92378116
   0.55508972  0.56563059  0.07309894
   0.83653754  0.69050021  0.30528682
   0.59809097  0.81315266  0.05574375
   0.84178100  0.94660365  0.34074013
   0.89383631  0.85215846  0.16152794
   0.64497629  0.86969832  0.22810331
   0.82097423  0.56759836  0.47146644
   0.55008791  0.56860182  0.39210545
   0.59616284  0.60650361  0.57490646
   0.79904841  0.70573453  0.79528452
   0.64716743  0.79560785  0.42727217
   0.87913541  0.95537840  0.83835916
   0.92856953  0.86484643  0.67531858
   0.67294925  0.94461593  0.74194938
   0.76859364  0.64922184  0.97381681
   0.52248636  0.66969128  0.90219356
   0.68488271  0.86221891  0.57924252
   0.66280959  0.85452157  0.47582225
   0.87267252  0.21587950  0.10015080
   1.03073843  0.38452898  0.32979854
   0.30418636  0.15773473  0.64420199
   0.26816698  0.70982006  0.72726602
  -0.00637726  1.12278015  0.11921623
   0.20808257  1.06802518  0.03762037
   0.62132447  0.37110553  0.84389584
   0.89863523  0.51697461  0.62856282
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836224    0.552924    0.048128
    -0.000000    9.809109    0.135502
    -0.000000    0.000000   14.162701
   Si   O    H 
    32    64    10
Direct configuration=  1301
   0.15433938  0.17842316 -0.02410292
   0.35783334  0.08840345  0.36890053
   0.12815908  0.41422041  0.11033571
   0.37080265  0.35087384  0.24485256
   0.08432299  0.15433979  0.47903710
   0.42334938  0.15329322  0.85712308
   0.11267594  0.40263701  0.61860328
   0.34650225  0.40225052  0.75816613
   0.10466657  0.68210588 -0.00090196
   0.39527818  0.59272255  0.36235986
   0.04731193  0.89731700  0.14756962
   0.32230370  0.83707897  0.24152529
   0.16713389  0.66371722  0.49599628
   0.35678356  0.64787931  0.87065461
   0.05945331  0.90873148  0.61840134
   0.32886630  1.03019122  0.69216807
   0.64483317  0.15465494  1.01058508
   0.85012453  0.10566719  0.35893671
   0.61920663  0.42432264  0.12236308
   0.87608722  0.30514085  0.18846211
   0.61293648  0.19071387  0.49365029
   0.88438227  0.11452572  0.87406873
   0.58325497  0.44728250  0.61654854
   0.75449277  0.35538485  0.80095532
   0.61212182  0.67422563 -0.00517870
   0.91632977  0.59105517  0.37745291
   0.55897874  0.91738527  0.13888742
   0.80355576  0.83033525  0.25769187
   0.65803741  0.62923687  0.46433881
   0.86003945  0.60754253  0.88515238
   0.59913823  0.95454167  0.63498374
   0.81653414  0.86514426  0.76006378
   0.06493306  0.06481191  0.15883323
   0.36535876  0.18640914  0.27502901
   0.10269363  0.33541250  0.01087028
   0.34455186  0.44303396  0.33814016
   0.52658987  0.37338089  0.21417261
   0.27992732  0.38819299  0.14773103
   0.23095086  0.10062529  0.44355221
  -0.00575540  0.17564062  0.38971203
   0.01019087  0.03439073  0.54288413
   0.45239607  0.26694102  0.77530376
   0.10798952  0.28539986  0.53902562
   0.36565597  0.48953788  0.84745582
   0.42841021  0.46750174  0.67219308
   0.19712758  0.36361212  0.71570799
   0.29723333  0.21173853 -0.08133279
   0.04958680  0.12952248  0.90832957
   0.08205380  0.57401063  0.08495290
   0.37718869  0.68249366  0.26313397
   0.07453543  0.83655740  0.04051991
   0.35862702  0.93808976  0.32990521
   0.39985969  0.88876493  0.14695260
   0.16048564  0.83229595  0.21786240
   0.30800456  0.67723030  0.44059220
   0.05660805  0.65463668  0.40676044
   0.17451176  0.53787226  0.57067904
   0.32344442  0.73199762  0.77858086
   0.12146991  0.78526651  0.55963776
   0.37637665  1.02485092  0.79665967
   0.44083946  0.93587821  0.63814215
   0.16935885  0.96429443  0.69392225
   0.26455169  0.67033298 -0.03618336
   0.02836066  0.63566301  0.90775053
   0.61731636  0.06308158  0.10492379
   0.81327271  0.19856071  0.25971593
   0.64543123  0.31615335  0.03440161
   0.94269110  0.44630199  0.32240322
   0.02714314  0.35472890  0.18849342
   0.77000300  0.44063808  0.16135276
   0.75002554  0.17637436  0.43014423
   0.48610627  0.12982828  0.43401341
   0.63196126  0.09872989  0.59687236
   0.84495889  0.20882141  0.78507683
   0.59743527  0.33885209  0.53516418
   0.85418990  0.45224381  0.85504587
   0.96626650  0.45630346  0.66150907
   0.69893944  0.42002765  0.69760487
   0.79841068  0.12627876  0.96973163
   0.54702526  0.11090957  0.92458194
   0.55313097  0.56410977  0.07430820
   0.83767936  0.68974537  0.30577656
   0.59772073  0.81427569  0.05603091
   0.84314452  0.94758019  0.34077479
   0.89343202  0.85282184  0.16049978
   0.64418012  0.87014659  0.22724699
   0.81990943  0.56766032  0.47113966
   0.55034650  0.56792989  0.39135396
   0.59872866  0.60506742  0.57378466
   0.79904197  0.70448883  0.79437634
   0.64567900  0.79523314  0.42724453
   0.87858130  0.95531665  0.83900890
   0.92689174  0.86521577  0.67713993
   0.67477459  0.94226077  0.74231845
   0.76843441  0.64741912  0.97427556
   0.52193316  0.67185564  0.90132410
   0.69156039  0.86151889  0.57000806
   0.66233185  0.85767865  0.47995284
   0.87044970  0.22240973  0.10269089
   1.02155583  0.39514367  0.33177231
   0.30769527  0.16770943  0.64167729
   0.27495112  0.70703453  0.72760102
  -0.00407068  1.11325285  0.11993259
   0.20394575  1.07607986  0.03060301
   0.61777603  0.36965504  0.84804312
   0.89760346  0.51411406  0.63223282
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837221    0.551572    0.046689
    -0.000000    9.807973    0.132491
    -0.000000    0.000000   14.162078
   Si   O    H 
    32    64    10
Direct configuration=  1302
   0.15288617  0.17962100 -0.02434349
   0.35683927  0.08956518  0.36921811
   0.12732877  0.41311761  0.11075626
   0.37042075  0.35060606  0.24605919
   0.08351013  0.15327494  0.47865328
   0.42212142  0.15325102  0.85779381
   0.11283195  0.40204285  0.61789709
   0.34517110  0.40296819  0.75767127
   0.10512897  0.68378520 -0.00137668
   0.39616583  0.59147846  0.36240745
   0.04839064  0.89707261  0.14827345
   0.32295346  0.83543069  0.24243964
   0.16720679  0.66402747  0.49599638
   0.35766586  0.64909069  0.87086349
   0.05895291  0.90976068  0.61854399
   0.32915471  1.03024991  0.69124001
   0.64345806  0.15364708  1.01171110
   0.84975903  0.10606309  0.35763714
   0.61869990  0.42314746  0.12245344
   0.87579266  0.30620480  0.18743542
   0.61372154  0.19098574  0.49346161
   0.88366987  0.11415052  0.87336339
   0.58198359  0.44676728  0.61638036
   0.75411916  0.35596173  0.80262686
   0.61222650  0.67663196 -0.00596453
   0.91722302  0.59010942  0.37756645
   0.55854008  0.91926895  0.13905214
   0.80318265  0.83106850  0.25805816
   0.65943502  0.62899751  0.46418775
   0.86076256  0.60734022  0.88595513
   0.60075711  0.95477339  0.63563584
   0.81663715  0.86519078  0.76015241
   0.06554341  0.06356587  0.15901993
   0.36574429  0.18628346  0.27445219
   0.10321744  0.33472694  0.01189799
   0.34284328  0.44285022  0.33742599
   0.52581056  0.37338417  0.21357692
   0.28175095  0.38756393  0.14751651
   0.23241039  0.10224958  0.44276178
  -0.00635843  0.17655581  0.38842452
   0.00881361  0.03426031  0.54229317
   0.45211666  0.26707056  0.77563205
   0.11000256  0.28594137  0.53877449
   0.36490121  0.48995951  0.84617669
   0.42995778  0.46754851  0.67386093
   0.19611898  0.36293518  0.71651615
   0.29576999  0.21309498 -0.08236342
   0.05005915  0.13113925  0.90790989
   0.08284936  0.57213935  0.08443409
   0.37846380  0.68103980  0.26351945
   0.07373137  0.83666173  0.03988638
   0.35914974  0.93814299  0.32889721
   0.40020455  0.88898142  0.14781307
   0.16185730  0.83320913  0.21888993
   0.30861960  0.67655536  0.44048273
   0.05712854  0.65509773  0.40649257
   0.17467159  0.53784414  0.57067747
   0.32620268  0.73271991  0.77871222
   0.12204323  0.78512737  0.55916164
   0.37537146  1.02407335  0.79779390
   0.43976256  0.93743441  0.63896102
   0.16913885  0.96290486  0.69394061
   0.26700726  0.67113019 -0.03612351
   0.02718209  0.63494976  0.90784376
   0.61721661  0.06323058  0.10491580
   0.81412275  0.19892435  0.25976918
   0.64532742  0.31634391  0.03411074
   0.94217806  0.44582444  0.32204716
   0.02685938  0.35827246  0.18664928
   0.76953152  0.44162131  0.16153761
   0.75066206  0.17706798  0.42989053
   0.48659639  0.13028685  0.43431639
   0.63387787  0.10054807  0.59604972
   0.84375106  0.20841972  0.78601618
   0.59650890  0.33907108  0.53567669
   0.85488588  0.45275439  0.85535721
   0.96766737  0.45556500  0.66268086
   0.69835150  0.41926998  0.69802315
   0.79927049  0.12604327  0.96982357
   0.54772951  0.11011160  0.92518164
   0.55119670  0.56295026  0.07499310
   0.83806367  0.68856113  0.30617690
   0.59804370  0.81501499  0.05534951
   0.84525516  0.94884905  0.34113677
   0.89210258  0.85384620  0.15991367
   0.64409057  0.87023476  0.22704169
   0.81780518  0.56858467  0.47090164
   0.55206459  0.56699559  0.39040260
   0.60123485  0.60338333  0.57285158
   0.79934331  0.70363958  0.79331580
   0.64392526  0.79424181  0.42752145
   0.87878739  0.95557783  0.83974811
   0.92616207  0.86514193  0.67816581
   0.67594800  0.93929103  0.74291433
   0.76852407  0.64460601  0.97478756
   0.52145466  0.67339048  0.90026505
   0.69513395  0.86339857  0.57022886
   0.66033038  0.86246599  0.48206023
   0.86841203  0.23025109  0.10632638
   1.02696920  0.39672071  0.33605867
   0.31417355  0.17310199  0.64192245
   0.27377277  0.70131377  0.72125062
  -0.00306863  1.10842606  0.11941099
   0.19990924  1.07758169  0.03033395
   0.61883830  0.36619513  0.85334228
   0.89242347  0.51353703  0.63287011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838218    0.550609    0.044948
    -0.000000    9.806975    0.128942
    -0.000000    0.000000   14.161382
   Si   O    H 
    32    64    10
Direct configuration=  1303
   0.15253975  0.18107515 -0.02449359
   0.35609428  0.09086304  0.36939057
   0.12637347  0.41193844  0.11117742
   0.37070582  0.35049519  0.24700849
   0.08303444  0.15213650  0.47805613
   0.42029192  0.15289377  0.85834119
   0.11402496  0.40173060  0.61707753
   0.34370903  0.40345393  0.75710233
   0.10628467  0.68539939 -0.00172689
   0.39686477  0.59012001  0.36256591
   0.04949230  0.89674030  0.14890796
   0.32354188  0.83431785  0.24315502
   0.16746688  0.66357883  0.49588237
   0.35906522  0.64988425  0.87134941
   0.05831173  0.91136601  0.61876483
   0.32828358  1.03038259  0.69031953
   0.64243245  0.15241525  1.01301497
   0.85002729  0.10656174  0.35617126
   0.61730364  0.42208574  0.12267195
   0.87559975  0.30637057  0.18630560
   0.61354000  0.19134916  0.49303282
   0.88388524  0.11328480  0.87266975
   0.58047327  0.44701188  0.61647827
   0.75314459  0.35596430  0.80388076
   0.61223334  0.67822528 -0.00635357
   0.91818371  0.58826983  0.37779017
   0.55819119  0.92075551  0.13872109
   0.80316909  0.83232950  0.25825912
   0.66074371  0.62907428  0.46404016
   0.86193697  0.60741634  0.88599644
   0.60273017  0.95507508  0.63633994
   0.81679671  0.86492664  0.76032281
   0.06635820  0.06244248  0.15965613
   0.36629921  0.18702327  0.27358723
   0.10395346  0.33366483  0.01227403
   0.34129163  0.44254722  0.33686196
   0.52533441  0.37273195  0.21229399
   0.28438892  0.38692538  0.14729468
   0.23389163  0.10420742  0.44258337
  -0.00713674  0.17756843  0.38739622
   0.00803438  0.03439827  0.54227565
   0.45151608  0.26668347  0.77564185
   0.11196234  0.28698001  0.53877995
   0.36464509  0.49128225  0.84539680
   0.43294056  0.46778644  0.67502625
   0.19520550  0.36145113  0.71795180
   0.29396590  0.21423897 -0.08338617
   0.04897869  0.13233032  0.90690334
   0.08376068  0.57051031  0.08431315
   0.37976606  0.67959348  0.26383029
   0.07365922  0.83583507  0.03943128
   0.35987496  0.93639766  0.32849804
   0.40083314  0.88910338  0.14901547
   0.16435109  0.83417049  0.22022443
   0.30903974  0.67534780  0.44030708
   0.05892518  0.65538597  0.40662630
   0.17490849  0.53688784  0.57035550
   0.32676585  0.73388820  0.77852302
   0.12192363  0.78552862  0.55929024
   0.37435281  1.02367634  0.79946549
   0.43954831  0.93833619  0.63942877
   0.16879130  0.96123551  0.69392661
   0.26925161  0.67331222 -0.03571162
   0.02504572  0.63501756  0.90751597
   0.61603651  0.06393680  0.10476308
   0.81521441  0.19917435  0.25963707
   0.64484485  0.31547883  0.03360817
   0.94148784  0.44582038  0.32201659
   0.02658641  0.36159218  0.18532524
   0.76927223  0.44214389  0.16226115
   0.75063765  0.17799601  0.43035350
   0.48733981  0.13130290  0.43466052
   0.63591468  0.10244866  0.59458714
   0.84229626  0.20875231  0.78679584
   0.59553457  0.33836399  0.53569707
   0.85643823  0.45260301  0.85577798
   0.96923225  0.45445556  0.66322766
   0.69843107  0.41846084  0.69869515
   0.80018692  0.12530755  0.96992232
   0.54838093  0.10890063  0.92590643
   0.54927715  0.56172966  0.07516592
   0.83816398  0.68779148  0.30669526
   0.59905492  0.81601212  0.05420942
   0.84769535  0.94901119  0.34083443
   0.89050392  0.85567832  0.16033550
   0.64467618  0.87005454  0.22744983
   0.81605055  0.56987080  0.47129732
   0.55352186  0.56582585  0.38934480
   0.60334058  0.60220845  0.57217266
   0.79999815  0.70234421  0.79265819
   0.64309764  0.79353699  0.42848025
   0.87769945  0.95586951  0.84077379
   0.92549760  0.86456412  0.67813881
   0.67443990  0.93644501  0.74247179
   0.76965522  0.64167015  0.97542163
   0.52062925  0.67576238  0.89909016
   0.69723713  0.86795482  0.57314042
   0.65984568  0.86274074  0.47785703
   0.86800786  0.23097568  0.10498431
   1.03505844  0.39583616  0.33993957
   0.32043468  0.17024526  0.64620164
   0.27663216  0.69927854  0.72133820
  -0.00747529  1.10783495  0.11710817
   0.20036071  1.06985834  0.03828603
   0.62503731  0.36116089  0.85880081
   0.89313743  0.50607601  0.63509148
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838990    0.549752    0.043702
    -0.000000    9.805857    0.125372
    -0.000000    0.000000   14.160684
   Si   O    H 
    32    64    10
Direct configuration=  1304
   0.15258633  0.18288086 -0.02469893
   0.35555052  0.09214090  0.36978095
   0.12612499  0.41107824  0.11125613
   0.37057283  0.34984201  0.24727438
   0.08288456  0.15022304  0.47789278
   0.41899903  0.15268576  0.85896313
   0.11474485  0.40196434  0.61653267
   0.34230299  0.40327463  0.75646635
   0.10724649  0.68657530 -0.00173259
   0.39716900  0.58906595  0.36279332
   0.04991591  0.89656337  0.14917014
   0.32385594  0.83342335  0.24377282
   0.16711300  0.66264743  0.49581473
   0.36070151  0.65088710  0.87137783
   0.05765972  0.91330539  0.61892032
   0.32765709  1.03111330  0.68960011
   0.64141416  0.15125330  1.01423000
   0.85025543  0.10756593  0.35429321
   0.61649667  0.42069288  0.12267068
   0.87446737  0.30647560  0.18512280
   0.61344785  0.19105568  0.49288872
   0.88438404  0.11203853  0.87234687
   0.57882298  0.44742226  0.61670216
   0.75190894  0.35595620  0.80485274
   0.61215143  0.67973080 -0.00662532
   0.91876026  0.58660788  0.37797319
   0.55797116  0.92180462  0.13857522
   0.80345981  0.83379194  0.25816039
   0.66144292  0.62943705  0.46393548
   0.86346146  0.60760862  0.88566695
   0.60493025  0.95519712  0.63724122
   0.81721272  0.86403213  0.76087074
   0.06635495  0.06143540  0.16050023
   0.36561141  0.18887456  0.27291463
   0.10433598  0.33260076  0.01316505
   0.33948986  0.44177456  0.33633590
   0.52493505  0.37215603  0.21096811
   0.28698360  0.38545057  0.14741014
   0.23499374  0.10681946  0.44287185
  -0.00757279  0.17835650  0.38633958
   0.00753784  0.03429104  0.54261056
   0.45143441  0.26583048  0.77588324
   0.11399195  0.28842633  0.53877520
   0.36501117  0.49126155  0.84473615
   0.43581509  0.46847666  0.67585497
   0.19404586  0.36020284  0.71863671
   0.29200377  0.21433410 -0.08422996
   0.04785841  0.13292101  0.90574391
   0.08495193  0.56954486  0.08382846
   0.38165205  0.67783242  0.26443144
   0.07404170  0.83512549  0.03922659
   0.36038326  0.93532611  0.32781270
   0.40060088  0.88947425  0.15024687
   0.16639213  0.83427380  0.22123243
   0.31056823  0.67374630  0.44088219
   0.06080633  0.65588933  0.40649177
   0.17477859  0.53602711  0.56928373
   0.32631369  0.73507552  0.77775523
   0.12208466  0.78610762  0.55943024
   0.37330894  1.02211023  0.80149896
   0.43972728  0.93837685  0.63922740
   0.16872208  0.95965505  0.69394966
   0.27107615  0.67590994 -0.03533004
   0.02250142  0.63507112  0.90711149
   0.61511227  0.06524886  0.10481806
   0.81720711  0.19823213  0.25911931
   0.64390495  0.31441239  0.03338970
   0.94112221  0.44494217  0.32215324
   0.02521496  0.36497038  0.18454677
   0.76876108  0.44224024  0.16314238
   0.74996621  0.17891754  0.43097969
   0.48843274  0.13236000  0.43515728
   0.63778868  0.10391993  0.59347226
   0.83956353  0.20995759  0.78773956
   0.59437135  0.33812635  0.53599128
   0.85763240  0.45204495  0.85627587
   0.97101134  0.45335746  0.66364632
   0.69799907  0.41769021  0.69925779
   0.80025491  0.12468658  0.97005485
   0.54938297  0.10800614  0.92619808
   0.54665620  0.56146974  0.07488915
   0.83826041  0.68656151  0.30674509
   0.60064017  0.81648533  0.05244514
   0.85031016  0.94935008  0.34047969
   0.88894215  0.85648494  0.16121544
   0.64574309  0.86937617  0.22776976
   0.81496664  0.57142626  0.47182287
   0.55498309  0.56383662  0.38881180
   0.60528658  0.60149357  0.57159600
   0.80087353  0.70058663  0.79219640
   0.64308643  0.79213081  0.42941826
   0.87651131  0.95709466  0.84221364
   0.92545282  0.86366089  0.67810157
   0.67299544  0.93464428  0.74186310
   0.77066310  0.63871375  0.97659896
   0.51974533  0.67895359  0.89754948
   0.69680525  0.87079652  0.57662479
   0.65750830  0.85597090  0.47059538
   0.86987529  0.22953654  0.09898569
   1.03388663  0.39674643  0.33986803
   0.32638344  0.17028645  0.65219671
   0.28331859  0.70032143  0.72984343
  -0.00514924  1.10868846  0.11749702
   0.20373076  1.06368167  0.04621978
   0.63429698  0.35303823  0.86381490
   0.89304374  0.49822483  0.63599518
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839795    0.548412    0.043214
    -0.000000    9.803909    0.122237
    -0.000000    0.000000   14.160267
   Si   O    H 
    32    64    10
Direct configuration=  1305
   0.15367047  0.18425894 -0.02460870
   0.35560761  0.09305223  0.37018117
   0.12694772  0.40988243  0.11128119
   0.37064753  0.34907520  0.24760627
   0.08301328  0.14831741  0.47789853
   0.41824187  0.15244029  0.85941987
   0.11444470  0.40209026  0.61598480
   0.34127870  0.40228056  0.75584024
   0.10844620  0.68772123 -0.00182444
   0.39743137  0.58815318  0.36280758
   0.05029703  0.89618972  0.14903443
   0.32441269  0.83257637  0.24417808
   0.16677736  0.66131853  0.49540498
   0.36252604  0.65249667  0.87167104
   0.05748651  0.91549391  0.61918219
   0.32663907  1.03221903  0.68991672
   0.64093535  0.14984584  1.01523853
   0.85091433  0.10933770  0.35245314
   0.61529179  0.41936743  0.12264181
   0.87304926  0.30698681  0.18353897
   0.61269165  0.18991625  0.49266319
   0.88511185  0.11036510  0.87225892
   0.57728898  0.44860776  0.61768018
   0.75085226  0.35659068  0.80583615
   0.61150327  0.68044088 -0.00675575
   0.91936307  0.58554810  0.37832463
   0.55812703  0.92200932  0.13850561
   0.80381915  0.83526957  0.25820494
   0.66196523  0.62946633  0.46372820
   0.86483169  0.60815796  0.88554886
   0.60643207  0.95490276  0.63778807
   0.81804838  0.86334935  0.76145765
   0.06563145  0.05984102  0.16119134
   0.36496741  0.19099105  0.27244673
   0.10434043  0.33114339  0.01428866
   0.33800661  0.44106453  0.33618013
   0.52384594  0.37223760  0.21003265
   0.28865769  0.38466169  0.14732799
   0.23568024  0.10878726  0.44364238
  -0.00814726  0.17888401  0.38507562
   0.00670980  0.03445638  0.54314292
   0.45128361  0.26559985  0.77568273
   0.11603252  0.29011619  0.53899206
   0.36502098  0.49196133  0.84444169
   0.43863486  0.46951330  0.67586856
   0.19335412  0.35916540  0.71928630
   0.28970492  0.21435640 -0.08471592
   0.04626657  0.13336016  0.90384864
   0.08718610  0.56951756  0.08338825
   0.38401324  0.67576834  0.26507158
   0.07526543  0.83442747  0.03951029
   0.36077537  0.93440034  0.32722325
   0.40021610  0.89025016  0.15173593
   0.16787139  0.83440761  0.22205833
   0.31293712  0.67268266  0.44144232
   0.06199037  0.65633341  0.40671436
   0.17482211  0.53612525  0.56800430
   0.32701282  0.73696725  0.77770437
   0.12271608  0.78691298  0.55972470
   0.37218913  1.02087199  0.80329916
   0.44083455  0.93755948  0.63826282
   0.16933717  0.95858161  0.69403685
   0.27221663  0.67888673 -0.03467707
   0.02052484  0.63556693  0.90660297
   0.61372441  0.06648566  0.10582277
   0.81896022  0.19768814  0.25840497
   0.64313495  0.31302892  0.03332458
   0.94050738  0.44387898  0.32275428
   0.02373912  0.36818805  0.18474813
   0.76813769  0.44232403  0.16350375
   0.74910314  0.17887643  0.43198668
   0.48962210  0.13292997  0.43468764
   0.63970096  0.10541293  0.59231413
   0.83695254  0.21181953  0.78900190
   0.59327609  0.33804731  0.53547134
   0.85828633  0.45124825  0.85713835
   0.97275822  0.45236639  0.66377889
   0.69750856  0.41720397  0.69971848
   0.80042077  0.12454629  0.96985117
   0.55026500  0.10688891  0.92665654
   0.54467598  0.56175715  0.07345920
   0.83806970  0.68611921  0.30670800
   0.60189942  0.81707146  0.05036437
   0.85231594  0.94865964  0.34008309
   0.88899035  0.85809577  0.16185429
   0.64723564  0.86910981  0.22798619
   0.81414718  0.57274806  0.47173212
   0.55642408  0.56222033  0.38794143
   0.60726754  0.60095673  0.57122445
   0.80077755  0.69982216  0.79119955
   0.64215412  0.78919879  0.42946967
   0.87487350  0.95853561  0.84330782
   0.92593614  0.86267323  0.67749118
   0.67143842  0.93287548  0.74171841
   0.77165761  0.63514134  0.97771101
   0.51890499  0.68130647  0.89640344
   0.69522883  0.87191716  0.57785469
   0.66031479  0.86358289  0.47616015
   0.87140646  0.22524713  0.09247544
   1.02666003  0.39905297  0.33654065
   0.33290334  0.16871525  0.65665899
   0.27908590  0.69444185  0.72845393
   0.00005230  1.10803696  0.12039649
   0.20584562  1.06410355  0.04999056
   0.64120272  0.34535802  0.86730039
   0.89417768  0.49139061  0.63569002
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840457    0.546713    0.042562
    -0.000000    9.802137    0.118967
    -0.000000    0.000000   14.159864
   Si   O    H 
    32    64    10
Direct configuration=  1306
   0.15473567  0.18558548 -0.02470293
   0.35616665  0.09370422  0.37058684
   0.12835724  0.40849410  0.11109666
   0.37113274  0.34827646  0.24749087
   0.08341845  0.14679350  0.47827846
   0.41795916  0.15185899  0.85953677
   0.11392676  0.40266174  0.61593469
   0.33990181  0.40137136  0.75509917
   0.11031554  0.68870222 -0.00239610
   0.39783306  0.58764744  0.36296139
   0.05053924  0.89585022  0.14870382
   0.32542690  0.83143943  0.24427286
   0.16673272  0.65964715  0.49499736
   0.36404331  0.65400515  0.87227246
   0.05724190  0.91756808  0.61956152
   0.32489860  1.03271065  0.69023592
   0.64068188  0.14902645  1.01591294
   0.85217775  0.11074436  0.35102832
   0.61481676  0.41855183  0.12300264
   0.87177310  0.30758563  0.18177142
   0.61248061  0.18916717  0.49239624
   0.88609314  0.10849780  0.87263375
   0.57553572  0.45011287  0.61871430
   0.75052822  0.35713848  0.80632393
   0.61034966  0.68130064 -0.00670923
   0.92006287  0.58482181  0.37820187
   0.55809292  0.92175756  0.13842799
   0.80378978  0.83676011  0.25832424
   0.66158430  0.62970544  0.46391154
   0.86642812  0.60843808  0.88528018
   0.60758702  0.95480524  0.63867314
   0.81881657  0.86260807  0.76227204
   0.06500185  0.05805297  0.16215679
   0.36438789  0.19260906  0.27242225
   0.10458864  0.33000209  0.01561324
   0.33619941  0.44110663  0.33659878
   0.52270734  0.37261042  0.20881811
   0.28998926  0.38423778  0.14766912
   0.23550466  0.11081717  0.44423835
  -0.00814009  0.17961103  0.38421264
   0.00724818  0.03439102  0.54346171
   0.45100866  0.26574339  0.77616782
   0.11789754  0.29202653  0.53917829
   0.36571071  0.49285029  0.84446936
   0.44123919  0.46986199  0.67576868
   0.19354531  0.35906396  0.71993368
   0.28714332  0.21422103 -0.08475931
   0.04497376  0.13394848  0.90148649
   0.08933855  0.56997014  0.08375408
   0.38592635  0.67428335  0.26622191
   0.07672298  0.83441740  0.03957450
   0.36182750  0.93390024  0.32697544
   0.39974217  0.89085361  0.15308626
   0.16906386  0.83419135  0.22280164
   0.31366714  0.67061743  0.44205820
   0.06344886  0.65694298  0.40752159
   0.17448993  0.53631169  0.56685047
   0.32683453  0.73899249  0.77727189
   0.12308345  0.78735002  0.56002112
   0.37193410  1.02001977  0.80472898
   0.44182571  0.93634522  0.63728205
   0.17024877  0.95782136  0.69437314
   0.27289395  0.68213907 -0.03401433
   0.01763658  0.63612994  0.90589930
   0.61208298  0.06706791  0.10704546
   0.82035225  0.19766700  0.25807481
   0.64148744  0.31158329  0.03370859
   0.94030046  0.44263994  0.32325667
   0.02134321  0.37070631  0.18468731
   0.76803163  0.44222689  0.16459325
   0.74854361  0.17955067  0.43294613
   0.49063019  0.13332051  0.43398673
   0.64189300  0.10639091  0.59118364
   0.83395880  0.21344835  0.78932142
   0.59158107  0.33808361  0.53507928
   0.85968330  0.45022184  0.85748308
   0.97483007  0.45191716  0.66373441
   0.69659538  0.41680019  0.70019011
   0.80024426  0.12420469  0.96980055
   0.55072282  0.10567023  0.92772642
   0.54296283  0.56271387  0.07197717
   0.83738553  0.68602891  0.30638229
   0.60311850  0.81873255  0.04814720
   0.85420223  0.94840464  0.33958564
   0.88952341  0.85959722  0.16240833
   0.64877707  0.86895693  0.22825159
   0.81371816  0.57383207  0.47157446
   0.55851847  0.56091954  0.38717001
   0.60896827  0.59999580  0.57087736
   0.80047534  0.69904669  0.79101361
   0.64026220  0.78622039  0.42992553
   0.87429938  0.95918508  0.84423402
   0.92682706  0.86186123  0.67700314
   0.67060889  0.93193214  0.74142697
   0.77277221  0.63199436  0.97835551
   0.51834792  0.68368404  0.89616565
   0.69627986  0.87079276  0.57766070
   0.66285646  0.86727138  0.48050904
   0.87205464  0.22314114  0.08805053
   1.02614959  0.39944759  0.33312199
   0.33984831  0.16931891  0.65932512
   0.27199582  0.69219164  0.72597552
  -0.00027195  1.11197046  0.12204823
   0.20707687  1.06608920  0.04859848
   0.64202028  0.33922961  0.87296621
   0.89003567  0.48596791  0.63244863
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841064    0.544743    0.042008
    -0.000000    9.800441    0.115797
    -0.000000    0.000000   14.159396
   Si   O    H 
    32    64    10
Direct configuration=  1307
   0.15622631  0.18684368 -0.02467743
   0.35679107  0.09463030  0.37078127
   0.13029170  0.40852240  0.11071212
   0.37143482  0.34804735  0.24706211
   0.08398280  0.14557791  0.47895204
   0.41767368  0.15115543  0.85975321
   0.11330478  0.40359572  0.61617365
   0.33853120  0.40064076  0.75463600
   0.11154562  0.68932164 -0.00342302
   0.39871760  0.58695966  0.36327071
   0.05168633  0.89494283  0.14842422
   0.32652826  0.83035811  0.24419894
   0.16673426  0.65764043  0.49450852
   0.36559167  0.65509841  0.87262499
   0.05677368  0.91920544  0.62016771
   0.32266287  1.03338275  0.69043788
   0.64100652  0.14891822  1.01581532
   0.85350954  0.11238665  0.35010563
   0.61425303  0.41808188  0.12325536
   0.87067220  0.30809421  0.18001194
   0.61277388  0.18820489  0.49293907
   0.88701961  0.10674885  0.87308292
   0.57478462  0.45118135  0.61973674
   0.75024871  0.35746381  0.80716134
   0.60989729  0.68120760 -0.00646072
   0.92006278  0.58515745  0.37817035
   0.55807405  0.92130757  0.13824022
   0.80403983  0.83756424  0.25861996
   0.66078258  0.63005096  0.46416291
   0.86709318  0.60844856  0.88464431
   0.60855185  0.95485813  0.63943495
   0.81984063  0.86214250  0.76338198
   0.06374247  0.05679462  0.16333881
   0.36389171  0.19320260  0.27234715
   0.10491421  0.32927649  0.01689129
   0.33515312  0.44104202  0.33685010
   0.52191690  0.37409396  0.20801181
   0.29105977  0.38402573  0.14844327
   0.23610108  0.11172484  0.44503580
  -0.00796327  0.17886029  0.38366384
   0.00802091  0.03441325  0.54381806
   0.45105641  0.26523818  0.77656316
   0.11903853  0.29283538  0.53905359
   0.36622447  0.49456579  0.84395612
   0.44330066  0.47015156  0.67576169
   0.19363592  0.35909587  0.71988627
   0.28471093  0.21383464 -0.08448180
   0.04424914  0.13440506  0.89891675
   0.09139343  0.57005476  0.08420534
   0.38741773  0.67332554  0.26693470
   0.07897193  0.83496117  0.04017228
   0.36374770  0.93378600  0.32691300
   0.40021224  0.89154985  0.15361215
   0.16899599  0.83440489  0.22374515
   0.31485235  0.66888957  0.44266625
   0.06505697  0.65686010  0.40846294
   0.17439816  0.53600032  0.56579267
   0.32593623  0.74035402  0.77649070
   0.12343886  0.78814667  0.56017654
   0.37109507  1.01873570  0.80619467
   0.44327854  0.93491431  0.63609157
   0.17136860  0.95806399  0.69510167
   0.27296118  0.68561804 -0.03395402
   0.01600968  0.63696920  0.90605460
   0.61004779  0.06786384  0.10823956
   0.82164663  0.19688068  0.25769502
   0.63985120  0.30983507  0.03404181
   0.94019764  0.44230988  0.32397038
   0.01908498  0.37263467  0.18416722
   0.76820576  0.44257534  0.16505619
   0.74764231  0.18021845  0.43337701
   0.49078636  0.13343862  0.43331974
   0.64406289  0.10639756  0.59047829
   0.83161522  0.21469873  0.78958583
   0.59039772  0.33864977  0.53480822
   0.86043630  0.44893990  0.85852526
   0.97642086  0.45139500  0.66384847
   0.69613353  0.41604147  0.70008889
   0.80024258  0.12422213  0.97009404
   0.54981430  0.10498879  0.92852031
   0.54151973  0.56374305  0.06997647
   0.83663467  0.68703831  0.30522961
   0.60451053  0.82125580  0.04649563
   0.85596676  0.94837990  0.33872489
   0.88998017  0.86094984  0.16305054
   0.64908539  0.86940126  0.22886153
   0.81463194  0.57517323  0.47135712
   0.55990374  0.55992844  0.38596980
   0.61101495  0.59909057  0.57079359
   0.80099574  0.69959073  0.79134721
   0.63829799  0.78523166  0.43048685
   0.87437403  0.95843554  0.84486474
   0.92737966  0.86099099  0.67649698
   0.66935870  0.93021640  0.74105911
   0.77267167  0.62935510  0.97882881
   0.51848562  0.68592432  0.89633592
   0.69629525  0.86669567  0.57608119
   0.66372524  0.86166711  0.47872789
   0.87353774  0.22454276  0.08830708
   1.03081690  0.39376584  0.32923922
   0.34430481  0.16974609  0.66064875
   0.26789345  0.69086448  0.72695857
  -0.00251042  1.11523459  0.12432903
   0.20516705  1.07365805  0.04520376
   0.64066287  0.33633791  0.87667131
   0.89329671  0.47987121  0.62976129
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841682    0.542312    0.040971
    -0.000000    9.798814    0.112785
    -0.000000    0.000000   14.158894
   Si   O    H 
    32    64    10
Direct configuration=  1308
   0.15719480  0.18765302 -0.02458213
   0.35804258  0.09520766  0.37080209
   0.13224418  0.40888768  0.10995605
   0.37148379  0.34834657  0.24631105
   0.08437381  0.14474292  0.47967636
   0.41735531  0.15020535  0.85992820
   0.11351874  0.40463725  0.61641682
   0.33822704  0.39987977  0.75436460
   0.11280897  0.68998181 -0.00418469
   0.40012044  0.58562468  0.36357233
   0.05280869  0.89411533  0.14798187
   0.32801797  0.82903043  0.24402959
   0.16699007  0.65623452  0.49418434
   0.36658511  0.65624295  0.87260969
   0.05552664  0.92017948  0.62099043
   0.32139842  1.03392864  0.69070674
   0.64203249  0.14933588  1.01536800
   0.85479630  0.11389386  0.34932291
   0.61366841  0.41842247  0.12258658
   0.86940082  0.30918345  0.17804388
   0.61251800  0.18751945  0.49409616
   0.88856522  0.10511243  0.87337174
   0.57431741  0.45215328  0.62059312
   0.74991184  0.35802661  0.80745419
   0.60905049  0.68095910 -0.00569558
   0.92047160  0.58567707  0.37815874
   0.55818190  0.92037005  0.13805241
   0.80534354  0.83860534  0.25903668
   0.65924507  0.62988844  0.46435291
   0.86709733  0.60839249  0.88337601
   0.60925741  0.95531437  0.63957821
   0.82090289  0.86162905  0.76456791
   0.06189508  0.05632235  0.16373796
   0.36209591  0.19329737  0.27268588
   0.10559706  0.32739067  0.01736122
   0.33338032  0.44040181  0.33728580
   0.52122535  0.37521881  0.20748575
   0.29090794  0.38390377  0.14952996
   0.23628160  0.11203207  0.44580484
  -0.00669329  0.17823314  0.38296079
   0.00877374  0.03494573  0.54373713
   0.45034194  0.26520729  0.77666449
   0.12167698  0.29312603  0.53853544
   0.36547554  0.49588508  0.84332047
   0.44400328  0.47054942  0.67561201
   0.19386378  0.35960249  0.71906442
   0.28235980  0.21332421 -0.08452496
   0.04357022  0.13444022  0.89614588
   0.09403080  0.57122077  0.08433802
   0.38817536  0.67279590  0.26745539
   0.07967532  0.83535847  0.04100804
   0.36540056  0.93413717  0.32679800
   0.40133820  0.89235654  0.15366868
   0.16810015  0.83440489  0.22432022
   0.31641074  0.66646413  0.44359337
   0.06571553  0.65607004  0.40901411
   0.17395827  0.53481070  0.56480196
   0.32463250  0.74087563  0.77571558
   0.12369385  0.78865108  0.55962167
   0.37047716  1.01812758  0.80807387
   0.44430897  0.93351095  0.63477754
   0.17229333  0.95869000  0.69603376
   0.27269601  0.68843358 -0.03387577
   0.01607364  0.63810891  0.90657400
   0.60875871  0.06827525  0.10976885
   0.82182934  0.19598330  0.25763746
   0.63731408  0.30862512  0.03498785
   0.93960832  0.44222800  0.32501590
   0.01755100  0.37381992  0.18410343
   0.76846567  0.44298416  0.16575778
   0.74659726  0.18089573  0.43309730
   0.49094269  0.13337986  0.43212537
   0.64628240  0.10577651  0.59102671
   0.82959385  0.21520497  0.78991458
   0.58880892  0.33912466  0.53458745
   0.86146536  0.44755145  0.85894557
   0.97772636  0.45077948  0.66380280
   0.69635101  0.41552705  0.70007857
   0.79985447  0.12397522  0.97069044
   0.54831515  0.10493955  0.92823362
   0.54055921  0.56439615  0.06855407
   0.83503325  0.68777338  0.30402899
   0.60573457  0.82417455  0.04547323
   0.85822971  0.94826246  0.33806842
   0.89157074  0.86232599  0.16402397
   0.64914572  0.87018679  0.22909234
   0.81632410  0.57563215  0.47090841
   0.56107680  0.55958217  0.38547828
   0.61212906  0.59780776  0.57109797
   0.80165187  0.69977642  0.79186935
   0.63604325  0.78498770  0.43147852
   0.87511661  0.95780726  0.84527527
   0.92760032  0.85976557  0.67581407
   0.66780707  0.92857678  0.74090943
   0.77177453  0.62706522  0.97877977
   0.51932200  0.68840628  0.89648319
   0.69312208  0.86356948  0.57304042
   0.66168632  0.84893680  0.47400831
   0.87761433  0.22635541  0.09098556
   1.03364707  0.38901658  0.32364190
   0.34565165  0.17097561  0.65979361
   0.27383916  0.69894604  0.73271034
  -0.00191613  1.11502823  0.12940374
   0.20165716  1.08575096  0.03962452
   0.63844287  0.33581253  0.87818414
   0.89683105  0.47226889  0.62907079
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842335    0.539544    0.039016
    -0.000000    9.797223    0.110512
    -0.000000    0.000000   14.158211
   Si   O    H 
    32    64    10
Direct configuration=  1309
   0.15814033  0.18787514 -0.02466825
   0.35904938  0.09584400  0.37047808
   0.13396229  0.41044507  0.10903980
   0.37148879  0.34892504  0.24571628
   0.08436849  0.14400008  0.48042127
   0.41711680  0.14932169  0.86008160
   0.11460214  0.40567001  0.61680109
   0.33829336  0.39957103  0.75455822
   0.11370010  0.69089113 -0.00488941
   0.40119566  0.58455815  0.36398105
   0.05401747  0.89352248  0.14794180
   0.32851553  0.82721380  0.24407639
   0.16770203  0.65560117  0.49415852
   0.36730055  0.65704459  0.87247154
   0.05549459  0.92108036  0.62170344
   0.32053139  1.03386499  0.69130515
   0.64348993  0.14950114  1.01496715
   0.85649297  0.11577222  0.34874732
   0.61308842  0.41896343  0.12174760
   0.86830143  0.31007920  0.17644025
   0.61210309  0.18732571  0.49533528
   0.89013987  0.10424145  0.87398333
   0.57429947  0.45230540  0.62111165
   0.74985441  0.35844739  0.80794609
   0.60768001  0.67983334 -0.00454723
   0.92113596  0.58640459  0.37801461
   0.55870633  0.91898144  0.13762498
   0.80703839  0.83948248  0.25953911
   0.65769698  0.62999617  0.46437831
   0.86676103  0.60779856  0.88248328
   0.60982800  0.95495247  0.63959893
   0.82170222  0.86037680  0.76552172
   0.06028405  0.05603095  0.16393931
   0.35966291  0.19291422  0.27366969
   0.10611682  0.32635045  0.01768107
   0.33176608  0.43997994  0.33824984
   0.52063280  0.37600944  0.20725835
   0.29008217  0.38342519  0.15092527
   0.23660649  0.11217969  0.44655929
  -0.00469249  0.17754428  0.38282683
   0.00855221  0.03575952  0.54398197
   0.44830779  0.26602791  0.77675327
   0.12394237  0.29258465  0.53755356
   0.36450653  0.49808838  0.84274834
   0.44348335  0.47158432  0.67558324
   0.19527635  0.35994303  0.71785418
   0.28120222  0.21267727 -0.08482960
   0.04337823  0.13378240  0.89392768
   0.09678570  0.57225377  0.08468051
   0.38937645  0.67213837  0.26793946
   0.08005371  0.83616944  0.04182563
   0.36661362  0.93534666  0.32708904
   0.40201744  0.89366317  0.15373553
   0.16753966  0.83425206  0.22451978
   0.31764293  0.66461313  0.44408044
   0.06610606  0.65484003  0.40912375
   0.17393915  0.53353675  0.56460047
   0.32355387  0.74115130  0.77570621
   0.12352318  0.78973271  0.55887813
   0.37043036  1.01778243  0.80960187
   0.44523736  0.93247607  0.63353448
   0.17295688  0.95910025  0.69696877
   0.27184400  0.69139811 -0.03370946
   0.01696395  0.64042200  0.90689442
   0.60798885  0.06840845  0.11134834
   0.82293989  0.19620597  0.25713213
   0.63528186  0.30907138  0.03635609
   0.93914953  0.44219995  0.32584645
   0.01707437  0.37491900  0.18463068
   0.76800194  0.44257988  0.16583208
   0.74681788  0.18177261  0.43229106
   0.49135974  0.13322637  0.43108389
   0.64782783  0.10483334  0.59165097
   0.82826606  0.21503374  0.79024857
   0.58727182  0.34030612  0.53398220
   0.86238728  0.44619883  0.85938889
   0.97785948  0.45016619  0.66403600
   0.69654754  0.41478473  0.70014961
   0.79952213  0.12302235  0.97083727
   0.54600889  0.10577247  0.92757876
   0.54056153  0.56412643  0.06789914
   0.83415238  0.68831410  0.30267145
   0.60728115  0.82736947  0.04468882
   0.86030574  0.94836235  0.33723245
   0.89274986  0.86283996  0.16473304
   0.64933297  0.87015220  0.22924561
   0.81927841  0.57661758  0.46998216
   0.56253905  0.55830823  0.38530503
   0.61263315  0.59678834  0.57147616
   0.80251943  0.70029400  0.79230427
   0.63427110  0.78542990  0.43200190
   0.87546765  0.95605723  0.84538221
   0.92800694  0.85901530  0.67509999
   0.66684406  0.92829680  0.74090262
   0.77113025  0.62574835  0.97871972
   0.52024953  0.69010523  0.89703681
   0.68504641  0.85874025  0.57243118
   0.66233160  0.84376655  0.47480194
   0.88041808  0.22821977  0.09218800
   1.02607980  0.38744976  0.31735740
   0.34455796  0.17344338  0.65702128
   0.26885744  0.69964484  0.73287891
  -0.00348159  1.11679409  0.13542837
   0.19969710  1.09370609  0.03488357
   0.63603527  0.33971985  0.87698245
   0.89831792  0.46825969  0.63099600
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842835    0.537276    0.036653
    -0.000000    9.795521    0.107964
    -0.000000    0.000000   14.157596
   Si   O    H 
    32    64    10
Direct configuration=  1310
   0.15853655  0.18774886 -0.02487176
   0.36034866  0.09583082  0.37000080
   0.13542424  0.41239481  0.10813246
   0.37158492  0.34966904  0.24526040
   0.08482705  0.14404368  0.48096317
   0.41692239  0.14826199  0.86030771
   0.11489389  0.40660013  0.61694225
   0.33915874  0.39966987  0.75498019
   0.11497738  0.69121671 -0.00490740
   0.40236028  0.58383039  0.36450984
   0.05561542  0.89282523  0.14819465
   0.32902444  0.82537422  0.24438958
   0.16810375  0.65534686  0.49438129
   0.36851670  0.65772161  0.87211542
   0.05543349  0.92130724  0.62218630
   0.32017059  1.03443396  0.69203954
   0.64480229  0.14938230  1.01405918
   0.85757945  0.11722949  0.34856225
   0.61338056  0.42007576  0.12052761
   0.86702808  0.31107230  0.17500740
   0.61145800  0.18745568  0.49655349
   0.89165683  0.10405353  0.87454358
   0.57488989  0.45219131  0.62173833
   0.74976144  0.35863796  0.80883544
   0.60627737  0.67882562 -0.00352214
   0.92214894  0.58695200  0.37810713
   0.55949017  0.91737963  0.13734877
   0.80809551  0.84015023  0.25981079
   0.65639005  0.62932327  0.46442016
   0.86614238  0.60726237  0.88159954
   0.61058140  0.95463017  0.63883232
   0.82282429  0.85933236  0.76652358
   0.05831479  0.05571603  0.16430946
   0.35769863  0.19208014  0.27490710
   0.10601048  0.32558115  0.01786953
   0.33028424  0.43984565  0.33901348
   0.52062994  0.37611633  0.20697103
   0.28923082  0.38339136  0.15184303
   0.23725921  0.11225917  0.44719431
  -0.00267130  0.17690337  0.38329765
   0.00821999  0.03676011  0.54427152
   0.44642459  0.26693987  0.77677315
   0.12663358  0.29129215  0.53711250
   0.36286128  0.50009924  0.84267905
   0.44194124  0.47237156  0.67525185
   0.19679470  0.36107517  0.71668453
   0.28136703  0.21259672 -0.08583052
   0.04319894  0.13335458  0.89227489
   0.10042497  0.57376118  0.08491460
   0.39036294  0.67203151  0.26797114
   0.08092723  0.83763168  0.04271555
   0.36678848  0.93652430  0.32729431
   0.40244698  0.89437272  0.15408218
   0.16687105  0.83366275  0.22495207
   0.31925462  0.66392456  0.44424617
   0.06602691  0.65250899  0.40880966
   0.17285424  0.53187389  0.56443971
   0.32308444  0.74006082  0.77646323
   0.12356132  0.79071261  0.55831738
   0.37097331  1.01705542  0.81048461
   0.44483752  0.93119181  0.63290186
   0.17386352  0.96010356  0.69797111
   0.27130798  0.69397390 -0.03373937
   0.01790970  0.64257823  0.90734661
   0.60764946  0.06832084  0.11304663
   0.82418992  0.19692736  0.25667976
   0.63345228  0.31062347  0.03802482
   0.93905606  0.44155963  0.32692790
   0.01730125  0.37641701  0.18539934
   0.76738486  0.44292398  0.16541493
   0.74721305  0.18238045  0.43146781
   0.49221272  0.13205026  0.42993781
   0.64900916  0.10353198  0.59228939
   0.82754788  0.21365370  0.79078379
   0.58549274  0.34254740  0.53387986
   0.86259921  0.44519173  0.85906537
   0.97740877  0.44939819  0.66435389
   0.69724323  0.41440288  0.69998971
   0.79930596  0.12207065  0.97129144
   0.54312882  0.10646168  0.92731976
   0.54050216  0.56422345  0.06745100
   0.83372487  0.68804854  0.30178551
   0.60911494  0.83004360  0.04386363
   0.86268672  0.94867383  0.33650819
   0.89467268  0.86343122  0.16478156
   0.64963150  0.86957084  0.22921330
   0.82183968  0.57697640  0.46852534
   0.56380558  0.55769113  0.38576740
   0.61309193  0.59547927  0.57205602
   0.80315902  0.70059840  0.79282063
   0.63196737  0.78495594  0.43213535
   0.87609662  0.95308215  0.84490062
   0.92817997  0.85883679  0.67461119
   0.66657737  0.92781576  0.74138889
   0.77031659  0.62495128  0.97885884
   0.52187554  0.69130760  0.89808558
   0.67705513  0.85624067  0.57421822
   0.66597070  0.84791167  0.48134440
   0.88017888  0.22875304  0.09123535
   1.01574129  0.38778087  0.31251624
   0.34143847  0.17170057  0.65060169
   0.25996272  0.69983710  0.72774345
  -0.01141477  1.12289755  0.13999881
   0.20143586  1.08851873  0.03834006
   0.63639000  0.34717689  0.87478261
   0.88887382  0.47032644  0.62730640
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843813    0.534771    0.034745
    -0.000000    9.793859    0.105756
    -0.000000    0.000000   14.156479
   Si   O    H 
    32    64    10
Direct configuration=  1311
   0.15824373  0.18683629 -0.02526453
   0.36172371  0.09579940  0.36995060
   0.13690705  0.41425568  0.10758700
   0.37195047  0.35031955  0.24518915
   0.08542107  0.14507783  0.48149098
   0.41683287  0.14714809  0.86082182
   0.11504004  0.40735918  0.61704218
   0.34050679  0.40057234  0.75534794
   0.11595404  0.69115751 -0.00477728
   0.40357831  0.58320893  0.36443653
   0.05693841  0.89201468  0.14821122
   0.32936303  0.82409699  0.24499768
   0.16885506  0.65577029  0.49475915
   0.36953717  0.65819538  0.87147341
   0.05610306  0.92075819  0.62236273
   0.32078285  1.03444116  0.69241642
   0.64609845  0.14981620  1.01279732
   0.85805670  0.11855946  0.34882151
   0.61350138  0.42144915  0.11947314
   0.86692272  0.31193270  0.17378067
   0.61081505  0.18768388  0.49769079
   0.89276077  0.10444216  0.87422683
   0.57594670  0.45232537  0.62181967
   0.74979021  0.35884931  0.80961872
   0.60580036  0.67742139 -0.00262981
   0.92280953  0.58727409  0.37794833
   0.56058011  0.91568920  0.13678212
   0.80923359  0.84049705  0.26007371
   0.65540095  0.62912137  0.46427860
   0.86412234  0.60723262  0.88144383
   0.61143519  0.95442223  0.63760231
   0.82427121  0.85827205  0.76744337
   0.05620332  0.05528326  0.16475963
   0.35634162  0.19138501  0.27592113
   0.10607088  0.32559947  0.01751583
   0.32923469  0.44042696  0.33954371
   0.52052666  0.37625824  0.20734073
   0.28751276  0.38314696  0.15210942
   0.23865937  0.11244186  0.44756731
  -0.00095952  0.17599807  0.38421969
   0.00770091  0.03735290  0.54421182
   0.44470697  0.26750344  0.77693691
   0.12933185  0.28912930  0.53707894
   0.36141787  0.50184958  0.84246021
   0.43792845  0.47285175  0.67465247
   0.19794823  0.36315267  0.71622416
   0.28134931  0.21340326 -0.08681903
   0.04311920  0.13337331  0.89115175
   0.10377328  0.57499038  0.08491598
   0.39056318  0.67270613  0.26777351
   0.08163497  0.83897480  0.04344875
   0.36785081  0.93774735  0.32779986
   0.40304802  0.89500392  0.15420803
   0.16608176  0.83261345  0.22564510
   0.32076236  0.66233260  0.44469631
   0.06578739  0.64953974  0.40824375
   0.17273224  0.53076329  0.56513510
   0.32265455  0.73881253  0.77717047
   0.12435898  0.79100581  0.55771740
   0.37028740  1.01624388  0.81067246
   0.44495717  0.92997368  0.63214621
   0.17373521  0.96123125  0.69853786
   0.27094575  0.69667416 -0.03421919
   0.01854859  0.64410541  0.90791936
   0.60656524  0.06886639  0.11451535
   0.82572177  0.19778375  0.25575011
   0.63249279  0.31220134  0.03877200
   0.93877450  0.44123447  0.32837984
   0.01684532  0.37744240  0.18558638
   0.76639106  0.44354760  0.16484428
   0.74773396  0.18277986  0.43000281
   0.49319097  0.13125916  0.42893950
   0.65038741  0.10189204  0.59318083
   0.82651675  0.21173775  0.79136117
   0.58375187  0.34432705  0.53437172
   0.86363793  0.44477678  0.85895863
   0.97498364  0.44884977  0.66452873
   0.69837919  0.41454401  0.69995723
   0.79940744  0.12096241  0.97165304
   0.54072278  0.10692055  0.92700632
   0.54113835  0.56441124  0.06666602
   0.83362557  0.68659393  0.30171145
   0.61049027  0.83246161  0.04342706
   0.86532090  0.94923004  0.33572597
   0.89626839  0.86379130  0.16429553
   0.65001899  0.86866691  0.22960003
   0.82411868  0.57645105  0.46747019
   0.56474415  0.55741533  0.38659206
   0.61324101  0.59517444  0.57213320
   0.80439939  0.70042974  0.79335430
   0.62991095  0.78482697  0.43235680
   0.87686463  0.95008806  0.84468254
   0.92767587  0.85821361  0.67458358
   0.66545764  0.92783253  0.74167125
   0.76976237  0.62387115  0.97849377
   0.52339055  0.69254737  0.89876732
   0.67152243  0.85055199  0.57774528
   0.67041549  0.85029915  0.48318487
   0.87988367  0.22491107  0.08835208
   1.01754455  0.38392203  0.30465015
   0.33464871  0.16859910  0.64386609
   0.25870003  0.70584777  0.72645344
  -0.01893515  1.12805470  0.14425770
   0.20693421  1.08085495  0.04478758
   0.63779977  0.35472490  0.87083696
   0.89040955  0.46973366  0.62500099
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844820    0.532597    0.032284
    -0.000000    9.791902    0.103448
    -0.000000    0.000000   14.155602
   Si   O    H 
    32    64    10
Direct configuration=  1312
   0.15699277  0.18530126 -0.02584633
   0.36317479  0.09516542  0.36960734
   0.13792012  0.41656212  0.10678199
   0.37195200  0.35113717  0.24508328
   0.08638655  0.14637787  0.48170467
   0.41664375  0.14673928  0.86140304
   0.11593209  0.40753584  0.61687797
   0.34167822  0.40135319  0.75550182
   0.11642554  0.69071520 -0.00476910
   0.40507121  0.58279619  0.36401595
   0.05883242  0.89069218  0.14834358
   0.33035739  0.82305594  0.24525560
   0.16943074  0.65662695  0.49489114
   0.36966492  0.65861422  0.87109129
   0.05686369  0.92016995  0.62225078
   0.32134730  1.03408774  0.69325830
   0.64678397  0.14954268  1.01182864
   0.85826418  0.12006895  0.34943380
   0.61323367  0.42339525  0.11895273
   0.86738275  0.31315388  0.17293025
   0.61042521  0.18794935  0.49877526
   0.89343151  0.10511505  0.87383769
   0.57722723  0.45344857  0.62185995
   0.74969111  0.35887418  0.81029565
   0.60559998  0.67580715 -0.00171843
   0.92349192  0.58829761  0.37785550
   0.56214135  0.91419825  0.13663137
   0.80996452  0.84077913  0.25985094
   0.65449714  0.62882694  0.46384948
   0.86243451  0.60685899  0.88132863
   0.61111071  0.95457320  0.63609342
   0.82581805  0.85727264  0.76806078
   0.05336229  0.05587879  0.16486303
   0.35505261  0.19071460  0.27646433
   0.10502054  0.32588190  0.01764430
   0.32846074  0.44118791  0.33965521
   0.52105162  0.37674397  0.20743214
   0.28530240  0.38279970  0.15187444
   0.24006382  0.11269952  0.44805658
   0.00105879  0.17406594  0.38511091
   0.00691006  0.03807459  0.54460618
   0.44277726  0.26807903  0.77655990
   0.13097868  0.28774751  0.53701905
   0.35985249  0.50283254  0.84236430
   0.43390370  0.47338762  0.67364561
   0.19991810  0.36575674  0.71551503
   0.28196186  0.21511793 -0.08765165
   0.04315927  0.13359913  0.89025909
   0.10674682  0.57622237  0.08502693
   0.39090605  0.67368312  0.26711158
   0.08264684  0.84051310  0.04399631
   0.36852826  0.93851054  0.32841332
   0.40334395  0.89536164  0.15459359
   0.16490347  0.83168520  0.22637749
   0.32169498  0.66009458  0.44560606
   0.06610238  0.64688898  0.40763159
   0.17304727  0.52979969  0.56596384
   0.32128939  0.73778836  0.77762703
   0.12445528  0.79109324  0.55735096
   0.36900547  1.01492124  0.81083229
   0.44433766  0.92986548  0.63138500
   0.17384790  0.96265867  0.69882126
   0.27117657  0.69922077 -0.03452893
   0.01938757  0.64487196  0.90822183
   0.60613105  0.06926808  0.11557069
   0.82659505  0.19936833  0.25437237
   0.63108755  0.31312256  0.03939981
   0.93844809  0.44095252  0.33017284
   0.01636351  0.37849079  0.18531180
   0.76512116  0.44390168  0.16458379
   0.74764776  0.18330586  0.42830667
   0.49431945  0.12991966  0.42758522
   0.65115217  0.09985507  0.59374640
   0.82554572  0.20983833  0.79184822
   0.58147567  0.34594056  0.53492904
   0.86518673  0.44537673  0.85952095
   0.97211082  0.44821916  0.66452696
   0.70001957  0.41474986  0.69989190
   0.79908539  0.11991529  0.97230906
   0.53886069  0.10797904  0.92678025
   0.54275600  0.56403610  0.06610146
   0.83303842  0.68576641  0.30166265
   0.61199355  0.83404527  0.04271017
   0.86712131  0.95054929  0.33557018
   0.89817524  0.86304315  0.16419533
   0.64981927  0.86691832  0.22999923
   0.82581746  0.57584245  0.46670800
   0.56623947  0.55689560  0.38747893
   0.61318726  0.59477818  0.57154043
   0.80463493  0.70070916  0.79403752
   0.62815926  0.78554528  0.43290327
   0.87736904  0.94757160  0.84515980
   0.92688059  0.85774479  0.67463657
   0.66537016  0.92727866  0.74184333
   0.76946911  0.62347469  0.97802913
   0.52422346  0.69418826  0.89938184
   0.66935147  0.83982562  0.58108203
   0.66884115  0.84758933  0.47883990
   0.87666320  0.22258307  0.08639401
   1.02009314  0.38039239  0.29895206
   0.32368245  0.16360059  0.64076231
   0.26348405  0.71169452  0.73153134
  -0.01840973  1.12459619  0.14814959
   0.20912980  1.07523482  0.05097456
   0.63529097  0.35794748  0.87020357
   0.90170419  0.46740826  0.62617794
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845657    0.530977    0.029568
    -0.000000    9.790057    0.100965
    -0.000000    0.000000   14.154761
   Si   O    H 
    32    64    10
Direct configuration=  1313
   0.15604342  0.18341618 -0.02604861
   0.36458550  0.09464727  0.36896964
   0.13783011  0.41917586  0.10632150
   0.37206034  0.35084522  0.24536059
   0.08741037  0.14798465  0.48121304
   0.41640542  0.14634208  0.86197712
   0.11653125  0.40774525  0.61704415
   0.34289947  0.40230647  0.75540369
   0.11671895  0.69062774 -0.00450645
   0.40655461  0.58268811  0.36416774
   0.06135212  0.88974622  0.14903116
   0.33112797  0.82273483  0.24592616
   0.17063153  0.65748801  0.49521254
   0.36949381  0.65945371  0.87094402
   0.05768958  0.91935052  0.62177164
   0.32195330  1.03434399  0.69371380
   0.64732193  0.14948394  1.01075452
   0.85803689  0.12135802  0.35001517
   0.61280836  0.42546528  0.11875257
   0.86826361  0.31409408  0.17243915
   0.61009547  0.18842915  0.49933234
   0.89304580  0.10622810  0.87331574
   0.57854700  0.45427530  0.62192153
   0.74949819  0.35919917  0.81113354
   0.60672540  0.67519246 -0.00106825
   0.92387031  0.58944154  0.37781539
   0.56369968  0.91265492  0.13665457
   0.81036840  0.84120001  0.25937851
   0.65408100  0.62814034  0.46356715
   0.86068420  0.60690445  0.88126545
   0.60999917  0.95462454  0.63505983
   0.82701460  0.85657256  0.76801049
   0.05149278  0.05616308  0.16482771
   0.35406448  0.18975677  0.27663659
   0.10348418  0.32613753  0.01715639
   0.32782655  0.44192336  0.34001013
   0.52224261  0.37762708  0.20706506
   0.28357796  0.38225658  0.15204811
   0.24218623  0.11320975  0.44825425
   0.00316699  0.17185564  0.38572008
   0.00604237  0.03926385  0.54537103
   0.44132746  0.26753733  0.77696389
   0.13172263  0.28601879  0.53778500
   0.35778394  0.50357202  0.84274284
   0.42977037  0.47421097  0.67254025
   0.20078106  0.36820779  0.71496192
   0.28315749  0.21728773 -0.08887699
   0.04302222  0.13434898  0.89052940
   0.10937717  0.57771086  0.08487719
   0.39130041  0.67529326  0.26657509
   0.08370144  0.84116682  0.04433325
   0.36934713  0.93889832  0.32834359
   0.40271688  0.89536962  0.15497392
   0.16388940  0.82996139  0.22676883
   0.32245468  0.65871876  0.44645058
   0.06649337  0.64386691  0.40789245
   0.17363026  0.52964809  0.56609044
   0.32125541  0.73695429  0.77838978
   0.12390138  0.79152015  0.55713445
   0.36737713  1.01327985  0.81026707
   0.44239157  0.93049273  0.63077931
   0.17360471  0.96411896  0.69889407
   0.27159411  0.70011045 -0.03519536
   0.01966049  0.64510382  0.90830597
   0.60554030  0.07015989  0.11655425
   0.82751818  0.20121041  0.25288618
   0.62965170  0.31356324  0.03959967
   0.93893544  0.43974610  0.33206993
   0.01636992  0.37903103  0.18493009
   0.76318141  0.44396478  0.16430613
   0.74811040  0.18364938  0.42727578
   0.49591040  0.12843387  0.42641944
   0.65195828  0.09748036  0.59482335
   0.82389017  0.20834754  0.79209924
   0.57984155  0.34727646  0.53543592
   0.86664656  0.44594295  0.86006031
   0.96921631  0.44710893  0.66527429
   0.70232558  0.41539237  0.69981166
   0.79834050  0.11929178  0.97309657
   0.53730758  0.10980243  0.92737365
   0.54453650  0.56303091  0.06578410
   0.83322047  0.68481890  0.30166455
   0.61304111  0.83539766  0.04228179
   0.86870917  0.95237264  0.33572122
   0.90029571  0.86209922  0.16372400
   0.64917284  0.86504379  0.23061328
   0.82687694  0.57533582  0.46616410
   0.56769912  0.55559261  0.38817398
   0.61356656  0.59462398  0.57152152
   0.80520995  0.70126589  0.79430420
   0.62761156  0.78565923  0.43354179
   0.87769895  0.94568513  0.84577609
   0.92521204  0.85785329  0.67515156
   0.66499084  0.92657010  0.74256532
   0.76965497  0.62291409  0.97789084
   0.52493214  0.69628715  0.90009981
   0.67365101  0.82875762  0.58569401
   0.66688082  0.84814890  0.47041775
   0.87552125  0.21953952  0.08503082
   1.01274747  0.38349876  0.29683337
   0.31293472  0.15755944  0.64036806
   0.26090079  0.71266042  0.73116803
  -0.01687351  1.12152049  0.14788725
   0.21020232  1.07849754  0.05267788
   0.62668206  0.36086413  0.87135778
   0.89445952  0.46744778  0.61900391
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846309    0.529255    0.026594
    -0.000000    9.788371    0.097901
    -0.000000    0.000000   14.154490
   Si   O    H 
    32    64    10
Direct configuration=  1314
   0.15479197  0.18148507 -0.02661002
   0.36534527  0.09448896  0.36846871
   0.13815241  0.42110389  0.10572385
   0.37198290  0.35030011  0.24554784
   0.08921419  0.14983638  0.48100837
   0.41633673  0.14676409  0.86220772
   0.11656882  0.40704038  0.61699810
   0.34462749  0.40270305  0.75575833
   0.11688109  0.69025893 -0.00362447
   0.40763257  0.58250193  0.36434125
   0.06323702  0.88922877  0.14976255
   0.33083565  0.82357500  0.24683408
   0.17201561  0.65808264  0.49542281
   0.36919727  0.66037340  0.87132559
   0.05831144  0.91814171  0.62100738
   0.32302348  1.03382595  0.69390740
   0.64745694  0.14958167  1.01003534
   0.85787899  0.12181637  0.35055554
   0.61191780  0.42732096  0.11923365
   0.86974732  0.31447259  0.17207778
   0.61008846  0.18935857  0.50005502
   0.89237036  0.10709851  0.87314684
   0.57957239  0.45533203  0.62235644
   0.74870886  0.35991166  0.81199759
   0.60828406  0.67468811 -0.00060609
   0.92427199  0.59000188  0.37774178
   0.56576204  0.91262275  0.13658041
   0.81124032  0.84152339  0.25895855
   0.65464460  0.62781261  0.46336682
   0.85883648  0.60670353  0.88105360
   0.60895060  0.95486613  0.63471640
   0.82796494  0.85584624  0.76767825
   0.05022289  0.05509402  0.16451672
   0.35251298  0.18956108  0.27681400
   0.10230145  0.32670602  0.01699292
   0.32797366  0.44303794  0.34019340
   0.52302339  0.37828028  0.20649997
   0.28260083  0.38116193  0.15232665
   0.24426162  0.11284351  0.44813078
   0.00510747  0.17025246  0.38609206
   0.00463842  0.04044574  0.54608986
   0.44010844  0.26628534  0.77688213
   0.13211106  0.28469170  0.53902955
   0.35609992  0.50383479  0.84361743
   0.42642760  0.47498350  0.67142543
   0.20149060  0.37063087  0.71384868
   0.28477003  0.21866315 -0.09000465
   0.04354837  0.13457627  0.89087623
   0.11219920  0.57952455  0.08477730
   0.39143232  0.67660996  0.26607836
   0.08493232  0.84181779  0.04416434
   0.36969553  0.93964932  0.32785538
   0.40319076  0.89565607  0.15568646
   0.16326419  0.82840732  0.22755989
   0.32357175  0.65735214  0.44723002
   0.06691404  0.64198753  0.40801227
   0.17559534  0.53040738  0.56588675
   0.32102134  0.73674364  0.77906844
   0.12372533  0.79222731  0.55766461
   0.36593584  1.01271645  0.80916044
   0.44052151  0.93145587  0.63069767
   0.17340731  0.96535194  0.69872115
   0.27197377  0.70135310 -0.03619749
   0.01962244  0.64506154  0.90795326
   0.60506923  0.07139227  0.11702190
   0.82879795  0.20306550  0.25149304
   0.62825510  0.31367363  0.03957449
   0.93944242  0.43860345  0.33375347
   0.01642695  0.37898610  0.18459359
   0.76101610  0.44368210  0.16359416
   0.74816808  0.18352565  0.42696630
   0.49827080  0.12694331  0.42514055
   0.65135526  0.09590854  0.59528531
   0.82247133  0.20673149  0.79262658
   0.57840896  0.34827502  0.53553420
   0.86809364  0.44580638  0.86078253
   0.96589921  0.44570900  0.66521870
   0.70417623  0.41561870  0.70024980
   0.79783251  0.11910343  0.97403729
   0.53622703  0.11156899  0.92843028
   0.54623619  0.56144610  0.06572737
   0.83360455  0.68383476  0.30136894
   0.61409477  0.83602716  0.04147467
   0.86941395  0.95425178  0.33585989
   0.90186864  0.86111848  0.16352616
   0.64802619  0.86239916  0.23145066
   0.82711123  0.57483564  0.46573702
   0.56813580  0.55401820  0.38860498
   0.61353613  0.59448671  0.57146337
   0.80548084  0.70210362  0.79418507
   0.62660050  0.78504831  0.43391763
   0.87876368  0.94429722  0.84673415
   0.92331252  0.85767944  0.67521553
   0.66510689  0.92517450  0.74287784
   0.76945133  0.62281169  0.97832815
   0.52500838  0.69836263  0.90136155
   0.67656251  0.82385033  0.59069688
   0.66973503  0.85764540  0.46677014
   0.87265239  0.22002115  0.08677669
   1.00187111  0.39339632  0.29910341
   0.30304771  0.15501117  0.64034246
   0.25631605  0.71609623  0.72724380
  -0.02073380  1.12105811  0.14450341
   0.21073134  1.08519665  0.04831726
   0.62025704  0.36447461  0.87195339
   0.89289268  0.46789454  0.61630741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847415    0.528011    0.023544
    -0.000000    9.786762    0.095351
    -0.000000    0.000000   14.154340
   Si   O    H 
    32    64    10
Direct configuration=  1315
   0.15312794  0.18002460 -0.02716557
   0.36541913  0.09440680  0.36794691
   0.13735230  0.42244757  0.10543474
   0.37200993  0.34962160  0.24629314
   0.09119091  0.15143366  0.48087596
   0.41571709  0.14783474  0.86208541
   0.11593019  0.40616596  0.61721188
   0.34597524  0.40298811  0.75591408
   0.11697906  0.68936287 -0.00293506
   0.40781310  0.58235316  0.36423702
   0.06435455  0.88950114  0.15045935
   0.33085260  0.82533103  0.24745845
   0.17342668  0.65830412  0.49597603
   0.36842908  0.66070615  0.87210819
   0.05872717  0.91665116  0.62002710
   0.32429012  1.03302042  0.69404002
   0.64766642  0.14944337  1.00942220
   0.85745496  0.12271041  0.35120948
   0.61104280  0.42879031  0.11967611
   0.87100438  0.31493077  0.17153172
   0.60968398  0.18951638  0.50075842
   0.89168194  0.10791418  0.87322729
   0.58065870  0.45602477  0.62306665
   0.74784451  0.36020697  0.81246339
   0.60991048  0.67450596 -0.00067243
   0.92480733  0.59053382  0.37731285
   0.56736505  0.91335926  0.13625793
   0.81175411  0.84141880  0.25846964
   0.65577094  0.62756320  0.46304630
   0.85796356  0.60597558  0.88096118
   0.60762957  0.95419762  0.63454071
   0.82833572  0.85486156  0.76673544
   0.05011735  0.05422163  0.16422226
   0.35048237  0.19009010  0.27695524
   0.10003947  0.32710986  0.01679947
   0.32844090  0.44359341  0.34019031
   0.52360900  0.37875882  0.20619650
   0.28203274  0.38039419  0.15241997
   0.24555665  0.11168054  0.44756522
   0.00680446  0.16922382  0.38627177
   0.00378331  0.04201050  0.54724342
   0.43892497  0.26477234  0.77688752
   0.13241779  0.28340556  0.53995997
   0.35428385  0.50382504  0.84473264
   0.42261890  0.47582155  0.67043007
   0.20150952  0.37293576  0.71259837
   0.28625428  0.21976099 -0.09094190
   0.04444877  0.13442956  0.89151485
   0.11451349  0.58180034  0.08450692
   0.39217256  0.67728191  0.26571128
   0.08635896  0.84193741  0.04327089
   0.36934309  0.94081910  0.32725601
   0.40352411  0.89630997  0.15558551
   0.16285007  0.82705971  0.22875304
   0.32461661  0.65665438  0.44810724
   0.06776434  0.64041250  0.40840155
   0.17837824  0.53153311  0.56513526
   0.32093526  0.73684373  0.77938610
   0.12411162  0.79264758  0.55857196
   0.36468541  1.01280779  0.80767839
   0.43862026  0.93337146  0.63072808
   0.17332506  0.96564479  0.69900890
   0.27269534  0.70177671 -0.03747287
   0.01989003  0.64475008  0.90773182
   0.60476471  0.07238875  0.11737707
   0.83033862  0.20461198  0.25030701
   0.62678947  0.31305238  0.03896922
   0.93854439  0.43762279  0.33549781
   0.01626301  0.37902021  0.18410273
   0.75833361  0.44319726  0.16280915
   0.74781565  0.18373079  0.42727655
   0.50128711  0.12524531  0.42448825
   0.65060176  0.09471697  0.59479011
   0.82078752  0.20453575  0.79303638
   0.57747806  0.34832413  0.53559021
   0.86944136  0.44552141  0.86111825
   0.96328041  0.44456127  0.66478019
   0.70557876  0.41589576  0.70045422
   0.79731847  0.11846974  0.97450174
   0.53625921  0.11298791  0.92988979
   0.54860273  0.55945190  0.06587211
   0.83435165  0.68383823  0.30060537
   0.61480202  0.83552399  0.04056092
   0.86874492  0.95541343  0.33576619
   0.90281585  0.86090382  0.16349016
   0.64653975  0.85960245  0.23190382
   0.82650775  0.57433097  0.46575153
   0.56810297  0.55234420  0.38888099
   0.61423617  0.59425075  0.57126488
   0.80590738  0.70277216  0.79369040
   0.62593080  0.78472890  0.43405662
   0.87994962  0.94366576  0.84801431
   0.92214975  0.85761344  0.67450932
   0.66534940  0.92418564  0.74338438
   0.76894426  0.62297454  0.97789792
   0.52483758  0.70027129  0.90263873
   0.67823133  0.82264116  0.59544054
   0.67544815  0.86392735  0.46188814
   0.86856168  0.22273327  0.08963369
   1.00777176  0.39639150  0.29188807
   0.29387915  0.15764341  0.63680976
   0.25797302  0.71923498  0.72754936
  -0.02506850  1.12080116  0.14043269
   0.20888124  1.09428423  0.04489561
   0.61762217  0.37054763  0.87312000
   0.90003785  0.46714296  0.61827946
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848671    0.526994    0.020799
    -0.000000    9.785249    0.092762
    -0.000000    0.000000   14.154284
   Si   O    H 
    32    64    10
Direct configuration=  1316
   0.15166448  0.17898371 -0.02756820
   0.36532770  0.09447411  0.36746000
   0.13643684  0.42330848  0.10465738
   0.37195135  0.34880300  0.24658460
   0.09357138  0.15266706  0.48077942
   0.41559287  0.14889816  0.86161817
   0.11583841  0.40555391  0.61713684
   0.34754678  0.40388008  0.75613722
   0.11692322  0.68833660 -0.00206377
   0.40793187  0.58224597  0.36378003
   0.06441894  0.89003592  0.15111752
   0.32987755  0.82744891  0.24815121
   0.17415295  0.65876263  0.49642189
   0.36771031  0.66077716  0.87280684
   0.05875094  0.91542269  0.61927967
   0.32565482  1.03203616  0.69443220
   0.64713720  0.14980451  1.00902653
   0.85718662  0.12368565  0.35181959
   0.61051166  0.43008857  0.12025362
   0.87183256  0.31571806  0.17141319
   0.60936826  0.18990151  0.50093257
   0.89042641  0.10867081  0.87366581
   0.58162363  0.45618715  0.62349461
   0.74673138  0.36063624  0.81287347
   0.61190123  0.67487893 -0.00081508
   0.92511982  0.59064241  0.37637412
   0.56909128  0.91383121  0.13581627
   0.81241042  0.84144183  0.25810869
   0.65780017  0.62682199  0.46312136
   0.85804527  0.60591021  0.88059831
   0.60608747  0.95314237  0.63492405
   0.82845562  0.85419612  0.76553145
   0.04981777  0.05270327  0.16384583
   0.34861659  0.19101877  0.27776574
   0.09783001  0.32770629  0.01674746
   0.32917892  0.44387513  0.33989182
   0.52344147  0.37974347  0.20590477
   0.28153382  0.37932835  0.15299304
   0.24682949  0.10968800  0.44639645
   0.00798159  0.16721340  0.38584863
   0.00329052  0.04299422  0.54740587
   0.43781288  0.26248017  0.77701115
   0.13239897  0.28324976  0.54098194
   0.35248559  0.50340699  0.84572549
   0.42060978  0.47639592  0.66968027
   0.20175756  0.37434315  0.71125646
   0.28688552  0.22063593 -0.09164213
   0.04560676  0.13392982  0.89232982
   0.11687262  0.58407019  0.08444737
   0.39298827  0.67744090  0.26507729
   0.08806800  0.84146986  0.04301845
   0.36910770  0.94130771  0.32704307
   0.40400269  0.89752077  0.15527269
   0.16308750  0.82620444  0.23002874
   0.32491728  0.65571710  0.44914998
   0.06863058  0.63972245  0.40892541
   0.18163844  0.53300243  0.56478210
   0.32067705  0.73772116  0.77899489
   0.12390655  0.79305585  0.55949399
   0.36489729  1.01340255  0.80609091
   0.43674746  0.93604755  0.63066636
   0.17272908  0.96448054  0.69902290
   0.27349382  0.70157535 -0.03864459
   0.02011650  0.64465190  0.90758861
   0.60479834  0.07387001  0.11730225
   0.83245989  0.20582161  0.24923198
   0.62515064  0.31197791  0.03822201
   0.93730120  0.43642738  0.33700185
   0.01701570  0.37855824  0.18420547
   0.75635665  0.44349287  0.16229264
   0.74732050  0.18337856  0.42828377
   0.50453720  0.12308831  0.42427143
   0.64997545  0.09341152  0.59453423
   0.81975335  0.20330424  0.79375989
   0.57702989  0.34790608  0.53477798
   0.87046842  0.44386538  0.86152580
   0.96098417  0.44293269  0.66405620
   0.70636791  0.41578339  0.70086562
   0.79730945  0.11777969  0.97442524
   0.53655179  0.11375538  0.93114852
   0.55046890  0.55809090  0.06588474
   0.83476343  0.68465963  0.29956602
   0.61568116  0.83511296  0.03936036
   0.86706049  0.95663752  0.33551804
   0.90338585  0.86083764  0.16349530
   0.64561204  0.85760198  0.23225749
   0.82453623  0.57387089  0.46568617
   0.56835607  0.55090668  0.38893793
   0.61485338  0.59372225  0.57093940
   0.80635440  0.70272140  0.79375926
   0.62626055  0.78575875  0.43355826
   0.88153907  0.94302185  0.84970174
   0.92107233  0.85741286  0.67377045
   0.66604462  0.92302931  0.74357576
   0.76883285  0.62352434  0.97825038
   0.52468279  0.70180374  0.90377738
   0.67903517  0.83041250  0.59884715
   0.67852126  0.86241591  0.45452062
   0.86681284  0.22610105  0.09347407
   1.01208195  0.40276678  0.28876571
   0.28710935  0.15793815  0.63361620
   0.25829601  0.71604046  0.73151173
  -0.02556059  1.11515588  0.13729799
   0.20717024  1.09651066  0.04134012
   0.62028379  0.37496418  0.87243457
   0.89499164  0.47157076  0.61354790
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850194    0.526754    0.018492
    -0.000000    9.784127    0.090006
    -0.000000    0.000000   14.153900
   Si   O    H 
    32    64    10
Direct configuration=  1317
   0.15118347  0.17808845 -0.02797153
   0.36569708  0.09419342  0.36725636
   0.13530555  0.42368145  0.10384295
   0.37168990  0.34804513  0.24665629
   0.09621257  0.15357457  0.48040072
   0.41529856  0.14987048  0.86060759
   0.11465107  0.40437592  0.61703555
   0.34900539  0.40450317  0.75683288
   0.11698668  0.68766873 -0.00213484
   0.40814679  0.58246264  0.36310987
   0.06411725  0.88997594  0.15178539
   0.32902987  0.82917644  0.24873024
   0.17485649  0.65921378  0.49656909
   0.36696309  0.66094997  0.87407258
   0.05848798  0.91480927  0.61872065
   0.32674993  1.03135567  0.69469578
   0.64618962  0.15010654  1.00876685
   0.85646395  0.12459278  0.35260514
   0.60952835  0.43152506  0.12111058
   0.87249788  0.31715483  0.17114352
   0.60867966  0.18974407  0.50036233
   0.88868107  0.10924046  0.87439965
   0.58213639  0.45609297  0.62367024
   0.74557251  0.36134119  0.81291085
   0.61384726  0.67569640 -0.00107865
   0.92530956  0.59070807  0.37585754
   0.57100135  0.91417176  0.13541281
   0.81298968  0.84150319  0.25776267
   0.66057111  0.62591519  0.46351310
   0.85890391  0.60648569  0.88047617
   0.60508305  0.95056931  0.63567415
   0.82811619  0.85393650  0.76437558
   0.04995445  0.05163645  0.16363022
   0.34731385  0.19176698  0.27839513
   0.09565787  0.32827522  0.01687673
   0.33016188  0.44384416  0.33965239
   0.52169996  0.38052172  0.20693776
   0.28122589  0.37914973  0.15311232
   0.24806759  0.10730745  0.44523334
   0.00914512  0.16567781  0.38571880
   0.00282618  0.04394260  0.54802203
   0.43738703  0.26089417  0.77735236
   0.13190902  0.28334501  0.54142212
   0.35143546  0.50352403  0.84599985
   0.41992503  0.47705780  0.66832932
   0.20200313  0.37511784  0.71056988
   0.28690415  0.22230198 -0.09218592
   0.04600071  0.13364892  0.89336338
   0.11866933  0.58573974  0.08438922
   0.39353578  0.67790166  0.26469493
   0.09008310  0.84065264  0.04327945
   0.36872128  0.94266582  0.32654199
   0.40524832  0.89860965  0.15476208
   0.16470046  0.82464677  0.23133530
   0.32597550  0.65496858  0.44996330
   0.06887310  0.63983134  0.40868612
   0.18484962  0.53443883  0.56521636
   0.32108208  0.73871131  0.77835409
   0.12422284  0.79324284  0.56011514
   0.36581539  1.01435724  0.80433150
   0.43551121  0.93886723  0.63080077
   0.17256572  0.96228822  0.69877769
   0.27459873  0.70170043 -0.03922599
   0.02039161  0.64422417  0.90745795
   0.60553461  0.07519776  0.11765084
   0.83388837  0.20538143  0.24881575
   0.62345722  0.31082328  0.03754000
   0.93721130  0.43464115  0.33829444
   0.01735503  0.37753008  0.18420090
   0.75530647  0.44274039  0.16214814
   0.74631845  0.18322187  0.42941528
   0.50778855  0.12148326  0.42416121
   0.65040487  0.09362062  0.59373378
   0.81871273  0.20283950  0.79460865
   0.57625316  0.34740274  0.53474440
   0.87078648  0.44201338  0.86212565
   0.95865744  0.44052170  0.66319796
   0.70682929  0.41507261  0.70159024
   0.79764422  0.11718371  0.97463980
   0.53725243  0.11411981  0.93223308
   0.55163814  0.55746358  0.06543518
   0.83406166  0.68546306  0.29764639
   0.61612246  0.83411414  0.03840225
   0.86376311  0.95773310  0.33534524
   0.90442603  0.86019098  0.16336596
   0.64532616  0.85532365  0.23274756
   0.82164412  0.57417032  0.46638975
   0.56797502  0.54894100  0.38873937
   0.61492373  0.59295162  0.57081670
   0.80670750  0.70145172  0.79387327
   0.62664551  0.78666443  0.43284436
   0.88322510  0.94299399  0.85152368
   0.92047280  0.85715575  0.67266040
   0.66626398  0.92154864  0.74298444
   0.76903988  0.62346448  0.97872062
   0.52416629  0.70246184  0.90448836
   0.67993331  0.83403017  0.60084174
   0.67658412  0.85899377  0.45004969
   0.86584987  0.23058234  0.09351291
   1.01452864  0.40886669  0.28793202
   0.28566210  0.15568794  0.63130779
   0.25652365  0.71178937  0.73336093
  -0.02233316  1.10437814  0.13463910
   0.20543070  1.09161622  0.04141297
   0.62487893  0.37903220  0.87028262
   0.89489715  0.47558829  0.61063276
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851660    0.526867    0.016200
    -0.000000    9.782800    0.086964
    -0.000000    0.000000   14.153915
   Si   O    H 
    32    64    10
Direct configuration=  1318
   0.15101306  0.17760648 -0.02845502
   0.36619545  0.09425430  0.36702284
   0.13399885  0.42428344  0.10287763
   0.37187360  0.34740248  0.24669615
   0.09847129  0.15460666  0.48016043
   0.41551403  0.15051559  0.85953320
   0.11360160  0.40298154  0.61682431
   0.35116195  0.40522154  0.75752344
   0.11671464  0.68693920 -0.00222825
   0.40818188  0.58345598  0.36261755
   0.06352586  0.89014003  0.15219316
   0.32876745  0.83167690  0.24920780
   0.17544358  0.65924310  0.49681556
   0.36584850  0.66103658  0.87493808
   0.05845055  0.91454366  0.61802059
   0.32695198  1.03060427  0.69503289
   0.64492824  0.15048591  1.00926117
   0.85618639  0.12560419  0.35345788
   0.60843835  0.43242468  0.12159772
   0.87326070  0.31759080  0.17117163
   0.60839370  0.18940593  0.49941902
   0.88718939  0.10935036  0.87546912
   0.58219299  0.45514786  0.62371229
   0.74523062  0.36198978  0.81256614
   0.61554145  0.67691032 -0.00160328
   0.92541659  0.59088397  0.37534529
   0.57289952  0.91518864  0.13505835
   0.81345786  0.84134269  0.25761580
   0.66258959  0.62493030  0.46395537
   0.86010793  0.60673357  0.88101168
   0.60421534  0.94821649  0.63656450
   0.82741535  0.85383803  0.76349606
   0.05017181  0.05047583  0.16285280
   0.34631400  0.19338975  0.27877993
   0.09417105  0.32951004  0.01718175
   0.33114069  0.44304129  0.33920673
   0.51991172  0.38103056  0.20824096
   0.28085395  0.37944588  0.15375912
   0.24990018  0.10468452  0.44461470
   0.01019604  0.16488414  0.38551559
   0.00365920  0.04480947  0.54867264
   0.43752652  0.25999209  0.77719206
   0.13070187  0.28294072  0.54248660
   0.35107125  0.50268148  0.84669479
   0.42071985  0.47786757  0.66686656
   0.20178686  0.37565544  0.70995741
   0.28686928  0.22440254 -0.09260899
   0.04667342  0.13321304  0.89449965
   0.12083466  0.58682553  0.08459081
   0.39353607  0.67738878  0.26509509
   0.09202580  0.83979105  0.04340364
   0.36839048  0.94412296  0.32641719
   0.40640073  0.89962038  0.15436059
   0.16685975  0.82342079  0.23180793
   0.32705449  0.65542957  0.45086341
   0.06910831  0.64011165  0.40804263
   0.18785398  0.53517474  0.56617643
   0.32206402  0.74022051  0.77749438
   0.12547922  0.79265829  0.56039914
   0.36750477  1.01492690  0.80272805
   0.43485767  0.94158946  0.63071599
   0.17162274  0.96100771  0.69903747
   0.27612842  0.70183544 -0.03924516
   0.02123566  0.64447370  0.90711295
   0.60655353  0.07599666  0.11746912
   0.83601647  0.20491964  0.24936608
   0.62258033  0.31018639  0.03669034
   0.93724411  0.43340062  0.33917626
   0.01915714  0.37746237  0.18360346
   0.75530275  0.44096233  0.16288250
   0.74546468  0.18319248  0.43059201
   0.51107772  0.11992315  0.42423824
   0.65145491  0.09457617  0.59283928
   0.81740033  0.20284765  0.79534231
   0.57537350  0.34637194  0.53462166
   0.87117371  0.43966062  0.86255705
   0.95634765  0.43865754  0.66249275
   0.70715135  0.41378332  0.70207857
   0.79913343  0.11588577  0.97507654
   0.53803975  0.11439733  0.93327685
   0.55229082  0.55735765  0.06537613
   0.83322509  0.68584667  0.29595946
   0.61630557  0.83304266  0.03733229
   0.86083077  0.95901035  0.33471223
   0.90454638  0.85881303  0.16324325
   0.64627023  0.85243010  0.23270149
   0.81858059  0.57427410  0.46653030
   0.56690391  0.54718121  0.38861061
   0.61451831  0.59202736  0.57061197
   0.80724079  0.70022175  0.79467359
   0.62589247  0.78698480  0.43237669
   0.88472474  0.94377119  0.85309489
   0.92013187  0.85716944  0.67120257
   0.66679999  0.92022977  0.74240844
   0.76956622  0.62307454  0.97860362
   0.52302054  0.70245702  0.90446769
   0.67877493  0.83574792  0.59683957
   0.68118014  0.86368458  0.44883486
   0.86472732  0.23529198  0.09028147
   1.01048403  0.41543724  0.29056386
   0.28804598  0.15151926  0.63086478
   0.25144609  0.70779973  0.73428086
  -0.02226654  1.09765824  0.13152367
   0.20630819  1.08057027  0.04434525
   0.62890791  0.37961577  0.86671248
   0.90145422  0.47622547  0.61332736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852592    0.526753    0.014036
    -0.000000    9.782096    0.083760
    -0.000000    0.000000   14.153975
   Si   O    H 
    32    64    10
Direct configuration=  1319
   0.15155314  0.17746907 -0.02873377
   0.36665602  0.09414113  0.36686298
   0.13270609  0.42448875  0.10253732
   0.37277386  0.34683949  0.24676392
   0.10037465  0.15529667  0.47985435
   0.41564326  0.15068610  0.85849227
   0.11254314  0.40194879  0.61686707
   0.35363485  0.40555029  0.75800729
   0.11748532  0.68693091 -0.00272179
   0.40823396  0.58471621  0.36285089
   0.06287928  0.89004996  0.15260800
   0.32914325  0.83436053  0.24921918
   0.17585294  0.65939587  0.49676995
   0.36445907  0.66117682  0.87530639
   0.05852243  0.91459981  0.61763667
   0.32685708  1.02975292  0.69576137
   0.64355893  0.15115148  1.00996975
   0.85603304  0.12707148  0.35399827
   0.60765097  0.43256386  0.12194239
   0.87390768  0.31837632  0.17129822
   0.60817845  0.18874139  0.49864787
   0.88586614  0.10933140  0.87647740
   0.58171227  0.45427422  0.62415722
   0.74534435  0.36222340  0.81219704
   0.61672857  0.67745392 -0.00207762
   0.92530843  0.59085030  0.37458464
   0.57470183  0.91638558  0.13499150
   0.81363720  0.84058920  0.25763739
   0.66400478  0.62444003  0.46468970
   0.86109804  0.60718094  0.88161797
   0.60312543  0.94633813  0.63737014
   0.82732455  0.85444355  0.76298289
   0.05088291  0.04984179  0.16212861
   0.34513076  0.19543653  0.27896980
   0.09220324  0.33035246  0.01724135
   0.33221629  0.44192951  0.33848075
   0.51761336  0.38102306  0.20954500
   0.27969644  0.38034650  0.15482098
   0.25148268  0.10138437  0.44443954
   0.01076961  0.16382511  0.38501429
   0.00392984  0.04603100  0.54918067
   0.43767037  0.25964170  0.77683472
   0.12961464  0.28230602  0.54352660
   0.35107868  0.50178988  0.84768125
   0.42196509  0.47809154  0.66560276
   0.20203183  0.37683410  0.70946786
   0.28606163  0.22621875 -0.09289771
   0.04694218  0.13352694  0.89522333
   0.12261295  0.58804961  0.08467562
   0.39331555  0.67773899  0.26568756
   0.09479573  0.83788454  0.04386491
   0.36753253  0.94527282  0.32697356
   0.40820919  0.89999864  0.15423991
   0.16927245  0.82301104  0.23174204
   0.32837396  0.65514650  0.45123134
   0.06956221  0.64073121  0.40820912
   0.19059609  0.53447963  0.56697662
   0.32214975  0.74125621  0.77639488
   0.12697756  0.79142393  0.55998405
   0.36888074  1.01702879  0.80161300
   0.43490128  0.94332001  0.63072078
   0.17074896  0.96019087  0.69876874
   0.27714368  0.70246340 -0.03949464
   0.02253116  0.64460472  0.90755735
   0.60735699  0.07674444  0.11713042
   0.83738121  0.20498923  0.24982863
   0.62256606  0.31017039  0.03655999
   0.93754381  0.43235047  0.33929083
   0.02143192  0.37682450  0.18337189
   0.75628110  0.43876137  0.16353261
   0.74514788  0.18340239  0.43162470
   0.51335857  0.11827168  0.42421437
   0.65237837  0.09569865  0.59162268
   0.81541459  0.20345795  0.79629962
   0.57496849  0.34510576  0.53472721
   0.87105137  0.43739064  0.86319291
   0.95462120  0.43697340  0.66104000
   0.70710322  0.41301900  0.70226396
   0.80045009  0.11426739  0.97501829
   0.53963268  0.11494087  0.93347274
   0.55268876  0.55755647  0.06505704
   0.83289769  0.68631939  0.29431029
   0.61627231  0.83209665  0.03681006
   0.85847808  0.96002103  0.33405627
   0.90423946  0.85732491  0.16351245
   0.64769141  0.85019797  0.23221474
   0.81686193  0.57575123  0.46665349
   0.56590546  0.54526071  0.38854220
   0.61448453  0.59057329  0.57031009
   0.80710821  0.69843547  0.79549990
   0.62563400  0.78672176  0.43199074
   0.88619992  0.94355406  0.85437812
   0.91946454  0.85670847  0.66932071
   0.66828038  0.91983484  0.74228915
   0.76981853  0.62282901  0.97809521
   0.52192829  0.70200318  0.90393470
   0.67834307  0.83402485  0.58644145
   0.68394979  0.86516544  0.44903515
   0.86189476  0.23771442  0.08411784
   1.00480249  0.42271526  0.29443961
   0.29272417  0.14608263  0.63570969
   0.25155307  0.70605430  0.73542336
  -0.02680393  1.09394320  0.12526595
   0.20451312  1.07419686  0.04603270
   0.62692403  0.38140318  0.86790072
   0.90417095  0.48030488  0.61097631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853369    0.526873    0.012613
    -0.000000    9.780978    0.080286
    -0.000000    0.000000   14.153869
   Si   O    H 
    32    64    10
Direct configuration=  1320
   0.15204398  0.17759950 -0.02899169
   0.36782628  0.09404689  0.36723871
   0.13186904  0.42382415  0.10241427
   0.37329100  0.34627088  0.24640482
   0.10135504  0.15453372  0.47999304
   0.41574025  0.15044563  0.85798573
   0.11255032  0.40124741  0.61723075
   0.35622513  0.40596174  0.75789848
   0.11788196  0.68828626 -0.00316343
   0.40825422  0.58551896  0.36326649
   0.06228724  0.88969422  0.15298027
   0.33060572  0.83652593  0.24930614
   0.17618752  0.65959780  0.49715727
   0.36364357  0.66091191  0.87549559
   0.05904927  0.91503183  0.61783016
   0.32577042  1.02917600  0.69589001
   0.64286166  0.15179650  1.01131494
   0.85556369  0.12862373  0.35393854
   0.60674670  0.43116819  0.12236832
   0.87413300  0.31873499  0.17147996
   0.60806960  0.18824638  0.49818330
   0.88538076  0.10918429  0.87716056
   0.58049796  0.45330102  0.62423036
   0.74574303  0.36207425  0.81151214
   0.61736111  0.67817563 -0.00298501
   0.92532600  0.59051621  0.37348644
   0.57574962  0.91780899  0.13459724
   0.81353154  0.84016375  0.25722456
   0.66501020  0.62496792  0.46542868
   0.86208717  0.60783848  0.88217911
   0.60233750  0.94466739  0.63808736
   0.82718573  0.85478333  0.76257686
   0.05167034  0.05046909  0.16177380
   0.34360097  0.19709387  0.27919919
   0.09012534  0.33161634  0.01710991
   0.33371201  0.44067298  0.33791181
   0.51615492  0.38151481  0.21079381
   0.27825135  0.38066068  0.15572664
   0.25227283  0.09853469  0.44506556
   0.01087537  0.16341809  0.38430843
   0.00449514  0.04682835  0.54955756
   0.43828837  0.25927211  0.77602043
   0.12882449  0.28203935  0.54457270
   0.35109508  0.50064114  0.84894303
   0.42433652  0.47695025  0.66414874
   0.20257728  0.37842959  0.70904101
   0.28531016  0.22749339 -0.09316833
   0.04735714  0.13355608  0.89571302
   0.12368798  0.58800685  0.08483985
   0.39263861  0.67851141  0.26602680
   0.09682258  0.83675446  0.04410761
   0.36674072  0.94539612  0.32736806
   0.40995056  0.90084354  0.15441485
   0.17093844  0.82285638  0.23140855
   0.32950051  0.65535208  0.45188508
   0.07047637  0.64211630  0.40752847
   0.19250838  0.53313442  0.56817779
   0.32253623  0.74173480  0.77549886
   0.12822995  0.78954280  0.55930510
   0.37125237  1.02006042  0.80088050
   0.43543933  0.94444458  0.63073827
   0.17016123  0.95866765  0.69841905
   0.27765020  0.70254900 -0.03955663
   0.02423160  0.64465276  0.90835664
   0.60791465  0.07746318  0.11612179
   0.83831625  0.20498922  0.25028969
   0.62278710  0.31007966  0.03670661
   0.93725934  0.43182267  0.33971591
   0.02383377  0.37740983  0.18303347
   0.75713709  0.43676753  0.16383607
   0.74490806  0.18294718  0.43230846
   0.51475654  0.11590358  0.42437841
   0.65410424  0.09623881  0.59024764
   0.81357501  0.20475849  0.79702336
   0.57396001  0.34302399  0.53455101
   0.87050381  0.43591264  0.86392304
   0.95343288  0.43563411  0.65932168
   0.70698623  0.41266426  0.70208363
   0.80097008  0.11296359  0.97487928
   0.54083108  0.11574291  0.93305279
   0.55305827  0.55842808  0.06458265
   0.83333718  0.68599483  0.29314446
   0.61744262  0.83133401  0.03703963
   0.85620892  0.96045271  0.33303859
   0.90295156  0.85583208  0.16366509
   0.64934206  0.84848309  0.23129585
   0.81589451  0.57636141  0.46686083
   0.56471916  0.54357526  0.38852189
   0.61520287  0.59026708  0.57012438
   0.80728821  0.69629681  0.79597860
   0.62662220  0.78688172  0.43158396
   0.88744307  0.94329664  0.85529181
   0.91927186  0.85681046  0.66704981
   0.66999544  0.91970436  0.74239529
   0.77043590  0.62288981  0.97755355
   0.52056363  0.70098493  0.90335367
   0.67478351  0.83059297  0.57884794
   0.68369423  0.86146751  0.44748693
   0.85700199  0.24164681  0.07850275
   1.00639399  0.42569604  0.29273365
   0.30290441  0.14675741  0.63960342
   0.25460404  0.70789845  0.73810328
  -0.02703931  1.08934064  0.12197633
   0.19907933  1.07110917  0.04575351
   0.62178792  0.38553013  0.87219086
   0.89857141  0.48613644  0.60818848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854218    0.526927    0.011336
    -0.000000    9.780152    0.076480
    -0.000000    0.000000   14.153436
   Si   O    H 
    32    64    10
Direct configuration=  1321
   0.15264730  0.17860348 -0.02943279
   0.36916383  0.09382906  0.36774025
   0.13165830  0.42280454  0.10221817
   0.37318590  0.34610255  0.24605014
   0.10190618  0.15388137  0.48015439
   0.41559320  0.15048483  0.85783474
   0.11237283  0.40123217  0.61738615
   0.35791978  0.40667134  0.75764435
   0.11914105  0.68944628 -0.00405649
   0.40825780  0.58590891  0.36367835
   0.06191934  0.88892368  0.15299851
   0.33172697  0.83869239  0.24911932
   0.17734241  0.65957364  0.49747358
   0.36346807  0.66115653  0.87552100
   0.06013282  0.91581901  0.61802447
   0.32397571  1.02822676  0.69558500
   0.64232842  0.15265347  1.01243241
   0.85540608  0.13030930  0.35418259
   0.60585872  0.42875231  0.12301746
   0.87438021  0.31911861  0.17179314
   0.60820612  0.18795654  0.49789465
   0.88478232  0.10899190  0.87783073
   0.57975618  0.45216810  0.62462182
   0.74631639  0.36228170  0.81087879
   0.61823583  0.67850718 -0.00404859
   0.92530343  0.59000125  0.37327233
   0.57638994  0.91914723  0.13434955
   0.81326985  0.84035407  0.25689966
   0.66523100  0.62543013  0.46575836
   0.86358540  0.60821274  0.88272718
   0.60245352  0.94340091  0.63883924
   0.82716611  0.85542817  0.76256112
   0.05162381  0.05073877  0.16141648
   0.34233186  0.19818407  0.27898210
   0.08787501  0.33203330  0.01592503
   0.33498447  0.43883691  0.33810511
   0.51521583  0.38243793  0.21192746
   0.27725528  0.38139669  0.15633080
   0.25276750  0.09628555  0.44652492
   0.01144592  0.16332694  0.38349523
   0.00486527  0.04737141  0.55014026
   0.43883519  0.25925695  0.77548637
   0.12804793  0.28127130  0.54587716
   0.35107892  0.49906792  0.84960037
   0.42675573  0.47635672  0.66247122
   0.20422826  0.38061761  0.70877970
   0.28493596  0.22808469 -0.09354484
   0.04631329  0.13362547  0.89584911
   0.12391867  0.58741878  0.08479450
   0.39272785  0.67918030  0.26633142
   0.09898329  0.83590060  0.04450300
   0.36492791  0.94557813  0.32777240
   0.41164189  0.90067635  0.15450343
   0.17269363  0.82416464  0.23159912
   0.33012902  0.65628916  0.45253316
   0.07142856  0.64411366  0.40662337
   0.19287134  0.53189084  0.56973860
   0.32337747  0.74291103  0.77471292
   0.12974073  0.78765075  0.55815074
   0.37341372  1.02297288  0.80053986
   0.43634292  0.94569817  0.63048674
   0.17075791  0.95707294  0.69809460
   0.27678242  0.70200724 -0.03954363
   0.02518754  0.64477546  0.90875076
   0.60807291  0.07845219  0.11467313
   0.83872811  0.20454434  0.25053236
   0.62322333  0.31012370  0.03727306
   0.93699493  0.43114615  0.34036149
   0.02587993  0.37755736  0.18252949
   0.75817596  0.43493990  0.16433683
   0.74400874  0.18282868  0.43240455
   0.51531470  0.11361779  0.42409828
   0.65561278  0.09567319  0.58945251
   0.81198595  0.20607916  0.79799224
   0.57319025  0.34150319  0.53434690
   0.87040092  0.43438542  0.86508813
   0.95344162  0.43461498  0.65772029
   0.70603465  0.41291151  0.70152213
   0.80143280  0.11247143  0.97470573
   0.54082248  0.11680918  0.93275263
   0.55378552  0.55952689  0.06391934
   0.83385006  0.68518370  0.29199039
   0.61828617  0.83052771  0.03762552
   0.85376398  0.96084098  0.33240054
   0.90234721  0.85478201  0.16385689
   0.65071277  0.84735679  0.22992624
   0.81584205  0.57694766  0.46711676
   0.56399462  0.54190716  0.38907686
   0.61665747  0.59061716  0.57004104
   0.80728510  0.69470006  0.79637754
   0.62762009  0.78626619  0.43128747
   0.88837905  0.94349089  0.85511500
   0.92001743  0.85651770  0.66475786
   0.67121529  0.91978699  0.74255444
   0.77052584  0.62260668  0.97710316
   0.51835438  0.70091904  0.90351635
   0.66630557  0.83278314  0.57395929
   0.67780156  0.85832482  0.44698348
   0.85637993  0.24587004  0.07696832
   1.01393699  0.42439206  0.28678334
   0.31501329  0.15406173  0.63992609
   0.25490450  0.70779624  0.73545703
  -0.02375579  1.08792497  0.12279420
   0.19218490  1.07297580  0.04200230
   0.61772211  0.38858332  0.87542229
   0.89391153  0.48705625  0.61090424
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854763    0.526807    0.010106
    -0.000000    9.778857    0.072976
    -0.000000    0.000000   14.153177
   Si   O    H 
    32    64    10
Direct configuration=  1322
   0.15359043  0.18016141 -0.02972170
   0.37031204  0.09343116  0.36816881
   0.13186690  0.42179366  0.10203434
   0.37266096  0.34604760  0.24590626
   0.10298718  0.15277277  0.48041722
   0.41595317  0.15102039  0.85771514
   0.11207725  0.40187785  0.61776378
   0.35883860  0.40740681  0.75722265
   0.11987715  0.69066832 -0.00520858
   0.40784132  0.58666585  0.36405733
   0.06087129  0.88812157  0.15322825
   0.33310787  0.84004550  0.24862674
   0.17855451  0.65962880  0.49748526
   0.36338185  0.66187893  0.87483387
   0.06091921  0.91662875  0.61876122
   0.32233693  1.02643518  0.69537713
   0.64224145  0.15325655  1.01326999
   0.85556260  0.13172060  0.35424047
   0.60540934  0.42621560  0.12373023
   0.87531310  0.31932150  0.17219145
   0.60894614  0.18779594  0.49781872
   0.88394345  0.10886206  0.87838653
   0.57928727  0.45059604  0.62482417
   0.74670110  0.36267538  0.81030217
   0.61910781  0.67940375 -0.00501926
   0.92486657  0.58982355  0.37300348
   0.57637495  0.92009205  0.13428440
   0.81271247  0.84103127  0.25647881
   0.66497680  0.62561734  0.46594339
   0.86552099  0.60885326  0.88303850
   0.60253268  0.94193782  0.63918314
   0.82776344  0.85644843  0.76254089
   0.05135520  0.05160680  0.16154050
   0.34100306  0.19880326  0.27882121
   0.08617894  0.33263706  0.01430620
   0.33628394  0.43764131  0.33844528
   0.51538115  0.38287436  0.21245114
   0.27608115  0.38283984  0.15607307
   0.25238644  0.09472920  0.44799598
   0.01205957  0.16363693  0.38241391
   0.00483996  0.04675365  0.55024915
   0.43966386  0.25928096  0.77496963
   0.12744679  0.28015100  0.54709635
   0.35114490  0.49887467  0.85030306
   0.42863741  0.47605735  0.66114506
   0.20649453  0.38304910  0.70883028
   0.28405905  0.22911316 -0.09384533
   0.04498804  0.13341606  0.89551605
   0.12430944  0.58650711  0.08550974
   0.39322846  0.67974136  0.26644488
   0.10059873  0.83580200  0.04505487
   0.36380684  0.94548694  0.32886389
   0.41314240  0.90126269  0.15472854
   0.17312744  0.82522148  0.23157898
   0.33081954  0.65684618  0.45315120
   0.07209907  0.64518156  0.40610731
   0.19280854  0.53098653  0.57111207
   0.32480785  0.74409806  0.77390294
   0.13121075  0.78677075  0.55703449
   0.37582367  1.02529229  0.80007019
   0.43775183  0.94657939  0.62998487
   0.17124397  0.95586240  0.69708396
   0.27515737  0.70165663 -0.03972368
   0.02499345  0.64503602  0.90921432
   0.60841519  0.07870514  0.11335833
   0.83809739  0.20348972  0.25105181
   0.62284170  0.31054695  0.03806159
   0.93752650  0.43071583  0.34074028
   0.02767427  0.37837518  0.18158985
   0.75826198  0.43315191  0.16480257
   0.74316633  0.18241625  0.43233679
   0.51473334  0.11209849  0.42346843
   0.65710080  0.09428782  0.58902193
   0.81076897  0.20758362  0.79875635
   0.57283478  0.34047807  0.53483359
   0.87027049  0.43375622  0.86676486
   0.95342800  0.43339860  0.65608131
   0.70429419  0.41339322  0.70071766
   0.80100362  0.11181680  0.97483648
   0.53988682  0.11749512  0.93193023
   0.55398207  0.56076962  0.06344053
   0.83477843  0.68461173  0.29107904
   0.61949928  0.83057634  0.03861097
   0.85167015  0.96140425  0.33219922
   0.90117860  0.85414422  0.16343320
   0.65154965  0.84629979  0.22837894
   0.81658339  0.57655955  0.46754990
   0.56382066  0.54039292  0.39005105
   0.61756863  0.59044650  0.57025574
   0.80760312  0.69335490  0.79669171
   0.62795438  0.78545819  0.43052719
   0.88915329  0.94400985  0.85451247
   0.92091094  0.85646821  0.66267925
   0.67178145  0.92005074  0.74265193
   0.77156818  0.62239743  0.97715751
   0.51582498  0.69986408  0.90345065
   0.65431074  0.83890848  0.57418575
   0.68043271  0.86207401  0.44866992
   0.85922945  0.25178030  0.07904229
   1.01587930  0.42300450  0.28482378
   0.32813363  0.16302792  0.64279370
   0.25600023  0.70492840  0.73134865
  -0.02564146  1.08817277  0.12351257
   0.18534188  1.07612308  0.03634658
   0.61943175  0.39043509  0.87675390
   0.89154240  0.48329067  0.61625088
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854942    0.526716    0.008964
    -0.000000    9.777092    0.069161
    -0.000000    0.000000   14.152974
   Si   O    H 
    32    64    10
Direct configuration=  1323
   0.15448937  0.18233669 -0.02996580
   0.37124061  0.09368227  0.36869276
   0.13145080  0.42068307  0.10194599
   0.37174347  0.34608248  0.24583500
   0.10362135  0.15112123  0.48075951
   0.41634485  0.15180568  0.85798234
   0.11170331  0.40259626  0.61820334
   0.35990962  0.40809435  0.75635764
   0.12030801  0.69269480 -0.00606229
   0.40797656  0.58739032  0.36443879
   0.06067396  0.88745961  0.15342699
   0.33496766  0.84106843  0.24780269
   0.17962684  0.65921608  0.49782310
   0.36356035  0.66311782  0.87375503
   0.06197760  0.91750287  0.61913220
   0.32046532  1.02464272  0.69471012
   0.64233159  0.15362451  1.01379590
   0.85549224  0.13219728  0.35394392
   0.60451037  0.42388826  0.12417058
   0.87602890  0.31892878  0.17293718
   0.60973883  0.18675851  0.49776466
   0.88321831  0.10788586  0.87905356
   0.57934434  0.44880806  0.62491619
   0.74651758  0.36302348  0.80972295
   0.61964010  0.68002279 -0.00629095
   0.92454772  0.58958818  0.37268614
   0.57614203  0.92099792  0.13453501
   0.81179562  0.84195690  0.25643558
   0.66420303  0.62588869  0.46575289
   0.86759067  0.60858559  0.88354971
   0.60252432  0.94132408  0.63937570
   0.82842553  0.85756227  0.76260047
   0.05165777  0.05258351  0.16179464
   0.33971460  0.19777016  0.27826360
   0.08469874  0.33194635  0.01295165
   0.33793841  0.43711231  0.33888146
   0.51656807  0.38252373  0.21287690
   0.27522120  0.38408344  0.15477865
   0.25131792  0.09251394  0.44994857
   0.01384269  0.16417518  0.38135705
   0.00488496  0.04674316  0.55044412
   0.44148306  0.26029133  0.77532520
   0.12639333  0.27896642  0.54776529
   0.35162302  0.49814815  0.85147510
   0.43018835  0.47518657  0.66019945
   0.20869263  0.38512609  0.70958733
   0.28316402  0.22898261 -0.09409052
   0.04329084  0.13328283  0.89482755
   0.12410393  0.58529268  0.08613877
   0.39395685  0.68013881  0.26639555
   0.10123963  0.83633987  0.04586929
   0.36261248  0.94627403  0.32935992
   0.41366368  0.90199708  0.15541212
   0.17337871  0.82629291  0.23146042
   0.33206156  0.65772304  0.45363734
   0.07325505  0.64697155  0.40523445
   0.19274836  0.53046192  0.57251265
   0.32559468  0.74453123  0.77366340
   0.13263004  0.78629874  0.55586615
   0.37810154  1.02755040  0.79953237
   0.43921101  0.94746462  0.62960048
   0.17126335  0.95601204  0.69608963
   0.27317308  0.70128626 -0.03985847
   0.02381412  0.64535052  0.90929758
   0.60832679  0.07840453  0.11242707
   0.83755113  0.20317632  0.25190988
   0.62252040  0.31153480  0.03867692
   0.93898038  0.43111899  0.34028250
   0.02901773  0.37942903  0.18064630
   0.75877687  0.43276750  0.16511751
   0.74260465  0.18249024  0.43194589
   0.51435784  0.11106878  0.42275918
   0.65860833  0.09327673  0.58868966
   0.80864284  0.20945114  0.79918704
   0.57287304  0.33924976  0.53546693
   0.86953634  0.43412766  0.86825739
   0.95386343  0.43153450  0.65487425
   0.70223567  0.41408320  0.70023486
   0.80079448  0.11127821  0.97573971
   0.53798783  0.11846120  0.93061640
   0.55385609  0.56227161  0.06308461
   0.83623780  0.68333672  0.29040551
   0.62004913  0.83092959  0.03974986
   0.85003623  0.96123200  0.33206850
   0.90035584  0.85370067  0.16350422
   0.65154574  0.84661330  0.22737541
   0.81803191  0.57677185  0.46781076
   0.56310946  0.53932108  0.39112556
   0.61819016  0.59124959  0.57115540
   0.80743670  0.69323501  0.79719013
   0.62866709  0.78524121  0.43029532
   0.88938482  0.94394068  0.85314312
   0.92180930  0.85612055  0.66041834
   0.67201948  0.92044195  0.74300662
   0.77337482  0.62298304  0.97765182
   0.51344384  0.69820031  0.90303776
   0.64431086  0.84146910  0.57714825
   0.68036861  0.86542742  0.45131703
   0.86623464  0.25548417  0.08156763
   1.01107473  0.42260540  0.28742828
   0.33479285  0.16571457  0.64676826
   0.26174681  0.70537209  0.72958623
  -0.03009430  1.09127319  0.12651402
   0.18253797  1.07771633  0.03324682
   0.62210847  0.39061936  0.87424381
   0.88646646  0.48344769  0.61882331
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855546    0.527031    0.007525
    -0.000000    9.774657    0.064916
    -0.000000    0.000000   14.152798
   Si   O    H 
    32    64    10
Direct configuration=  1324
   0.15524271  0.18445996 -0.03052928
   0.37191083  0.09426151  0.36900479
   0.13184331  0.41943849  0.10168665
   0.37064062  0.34565430  0.24526033
   0.10352500  0.14990747  0.48101601
   0.41672704  0.15275608  0.85838263
   0.11179066  0.40314130  0.61924801
   0.35969631  0.40868111  0.75573206
   0.12023681  0.69416345 -0.00698030
   0.40755194  0.58775322  0.36535528
   0.06006316  0.88686636  0.15353949
   0.33575549  0.84141356  0.24671888
   0.18011886  0.65837792  0.49761539
   0.36366302  0.66383980  0.87264644
   0.06279684  0.91830307  0.61945046
   0.31841511  1.02317749  0.69386380
   0.64297709  0.15390890  1.01412251
   0.85575940  0.13268669  0.35369096
   0.60355727  0.42180158  0.12415790
   0.87642425  0.31835826  0.17361854
   0.61062919  0.18566610  0.49724672
   0.88288827  0.10745267  0.87936326
   0.57961635  0.44728042  0.62496384
   0.74595194  0.36431879  0.80924000
   0.61946810  0.68034000 -0.00695436
   0.92479159  0.59023060  0.37240954
   0.57540675  0.92155253  0.13466907
   0.81109745  0.84223841  0.25639094
   0.66320877  0.62638910  0.46560177
   0.86944898  0.60782760  0.88432528
   0.60242935  0.94106075  0.63923890
   0.82862561  0.85824238  0.76301270
   0.05185133  0.05380753  0.16158900
   0.33806835  0.19617000  0.27754237
   0.08456889  0.33160385  0.01120047
   0.33862092  0.43617125  0.33926790
   0.51777036  0.38309593  0.21353317
   0.27479711  0.38502475  0.15361446
   0.25027226  0.09102117  0.45174150
   0.01471206  0.16470845  0.37999707
   0.00546358  0.04674191  0.55098409
   0.44261600  0.26092777  0.77488061
   0.12604735  0.27749889  0.54823043
   0.35260156  0.49663731  0.85282788
   0.43237192  0.47417977  0.65967254
   0.21058912  0.38593874  0.71101279
   0.28217547  0.22823679 -0.09453957
   0.04230043  0.13358390  0.89440622
   0.12483790  0.58430210  0.08681727
   0.39491151  0.68076024  0.26681279
   0.10102766  0.83722056  0.04673409
   0.36214198  0.94614058  0.33018040
   0.41394424  0.90259437  0.15616039
   0.17310912  0.82812793  0.23071249
   0.33320293  0.65879431  0.45408015
   0.07376497  0.64864971  0.40463021
   0.19205871  0.53016198  0.57385915
   0.32639749  0.74531433  0.77396717
   0.13406150  0.78654555  0.55550951
   0.37984484  1.02837476  0.79898726
   0.44133320  0.94775623  0.62959888
   0.17172484  0.95685016  0.69553952
   0.27150801  0.70046106 -0.03945376
   0.02253489  0.64532240  0.90982556
   0.60847385  0.07853429  0.11165391
   0.83806996  0.20235594  0.25253966
   0.62237660  0.31291069  0.03886079
   0.94076932  0.43115899  0.33973497
   0.02992920  0.38034007  0.18060878
   0.75958008  0.43320122  0.16561418
   0.74236509  0.18190303  0.43086447
   0.51402064  0.11088627  0.42174887
   0.65964982  0.09180022  0.58881122
   0.80658988  0.21109499  0.79954723
   0.57313251  0.33760382  0.53606781
   0.86889966  0.43472103  0.86966169
   0.95484430  0.43006332  0.65373309
   0.70019108  0.41376554  0.69981737
   0.79999365  0.11060228  0.97689091
   0.53644628  0.11926364  0.92870065
   0.55429190  0.56359036  0.06278460
   0.83850397  0.68219969  0.29023438
   0.62060807  0.83179854  0.04102157
   0.84799132  0.96103153  0.33193125
   0.90056331  0.85224239  0.16376685
   0.65179499  0.84733296  0.22631818
   0.82063760  0.57717098  0.46828995
   0.56264797  0.53875166  0.39278017
   0.61877529  0.59239603  0.57222487
   0.80717323  0.69377084  0.79781515
   0.63042723  0.78487065  0.43033734
   0.88872282  0.94387281  0.85102277
   0.92264139  0.85584748  0.65870419
   0.67285068  0.92038399  0.74380608
   0.77456713  0.62232625  0.97797026
   0.51189289  0.69622662  0.90299190
   0.63284120  0.83981509  0.57878488
   0.67596567  0.86297057  0.45457352
   0.87410218  0.25433340  0.08227923
   1.00242393  0.42060181  0.29171723
   0.33233812  0.16735228  0.65219228
   0.26803443  0.70425478  0.72993816
  -0.03123013  1.09449318  0.13183033
   0.17889357  1.07653018  0.03465448
   0.62547526  0.39059001  0.87037967
   0.88433296  0.48419766  0.61988824
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856143    0.527719    0.005522
    -0.000000    9.771966    0.061226
    -0.000000    0.000000   14.152752
   Si   O    H 
    32    64    10
Direct configuration=  1325
   0.15544433  0.18679526 -0.03126856
   0.37230595  0.09561056  0.36992087
   0.13204202  0.41896268  0.10137708
   0.37006681  0.34526206  0.24446022
   0.10297509  0.14861508  0.48117571
   0.41728582  0.15382556  0.85867190
   0.11147275  0.40405528  0.62013726
   0.35962338  0.40859858  0.75489883
   0.11994830  0.69561094 -0.00790504
   0.40785613  0.58738277  0.36646261
   0.05949610  0.88697503  0.15360486
   0.33737488  0.84138145  0.24576243
   0.18092463  0.65701867  0.49752736
   0.36330297  0.66480475  0.87189830
   0.06326812  0.91880239  0.61955578
   0.31672625  1.02177655  0.69291348
   0.64386990  0.15384975  1.01447035
   0.85574288  0.13343244  0.35340159
   0.60192931  0.42017723  0.12361848
   0.87608485  0.31749085  0.17436154
   0.61230453  0.18392760  0.49699184
   0.88239117  0.10722222  0.88013337
   0.58051441  0.44573412  0.62504516
   0.74559250  0.36558951  0.80862925
   0.61891201  0.68069223 -0.00766721
   0.92540474  0.59066524  0.37245397
   0.57444069  0.92198894  0.13536343
   0.81029375  0.84225724  0.25699170
   0.66188735  0.62728747  0.46546098
   0.87044939  0.60665806  0.88501965
   0.60246257  0.94149014  0.63930025
   0.82837023  0.85852198  0.76320521
   0.05139295  0.05524018  0.16137690
   0.33650629  0.19462574  0.27717920
   0.08500682  0.33027169  0.00977067
   0.33910380  0.43519703  0.33955374
   0.51941695  0.38300391  0.21366656
   0.27299618  0.38574673  0.15260442
   0.24991965  0.08981108  0.45303682
   0.01605629  0.16471248  0.37929611
   0.00637311  0.04689714  0.55134535
   0.44365285  0.26217293  0.77403812
   0.12553138  0.27680828  0.54873313
   0.35328173  0.49659975  0.85403676
   0.43436222  0.47380190  0.65964401
   0.21159731  0.38716935  0.71212191
   0.28119200  0.22690121 -0.09463332
   0.04138409  0.13457513  0.89438492
   0.12528172  0.58332223  0.08693030
   0.39532652  0.68163212  0.26782279
   0.10074977  0.83791431  0.04784691
   0.36133081  0.94501118  0.33061522
   0.41495715  0.90348503  0.15652953
   0.17264076  0.82970676  0.23010575
   0.33402653  0.66015304  0.45395804
   0.07457206  0.65050729  0.40429188
   0.19090729  0.53066564  0.57512231
   0.32742419  0.74490732  0.77372144
   0.13523281  0.78766942  0.55568009
   0.38141477  1.02777279  0.79891346
   0.44308704  0.94798627  0.62947807
   0.17180351  0.95851354  0.69567913
   0.27028860  0.69949670 -0.03882938
   0.02144801  0.64492277  0.91043762
   0.60834936  0.07820156  0.11099154
   0.83887533  0.20167457  0.25288551
   0.62211848  0.31380063  0.03870896
   0.94190518  0.43175492  0.33981486
   0.02892665  0.38087034  0.18101545
   0.75999730  0.43426481  0.16661586
   0.74245779  0.18143793  0.42911095
   0.51345742  0.10991371  0.42092538
   0.66095617  0.09005085  0.58941949
   0.80498230  0.21140865  0.80016167
   0.57312059  0.33652316  0.53668816
   0.86847513  0.43599264  0.87015286
   0.95535128  0.42929654  0.65247339
   0.69842393  0.41318083  0.69985226
   0.79842660  0.10984584  0.97809685
   0.53475922  0.12091132  0.92777518
   0.55450336  0.56437642  0.06317610
   0.84047548  0.68070111  0.29014756
   0.62030113  0.83266081  0.04206879
   0.84544546  0.96101299  0.33178986
   0.90077731  0.85049380  0.16390521
   0.65243896  0.84832403  0.22476291
   0.82466337  0.57695519  0.46823186
   0.56328604  0.53857630  0.39414334
   0.61878361  0.59325556  0.57322703
   0.80751892  0.69401670  0.79769337
   0.63230191  0.78423193  0.43017377
   0.88782197  0.94285940  0.84904097
   0.92330836  0.85544733  0.65718049
   0.67372921  0.92056230  0.74452543
   0.77469828  0.62168179  0.97882088
   0.51126849  0.69446511  0.90259902
   0.62582697  0.83083963  0.57462202
   0.67278268  0.85886823  0.45807397
   0.88022685  0.25096508  0.08123192
   1.00413429  0.41493609  0.28931163
   0.32808335  0.16510737  0.65797613
   0.27163399  0.70153254  0.72961257
  -0.03350091  1.09585946  0.13822947
   0.18270723  1.07821226  0.03974047
   0.63016237  0.38991766  0.86615900
   0.88456944  0.48394347  0.62009378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857204    0.528914    0.003389
    -0.000000    9.769182    0.057303
    -0.000000    0.000000   14.152470
   Si   O    H 
    32    64    10
Direct configuration=  1326
   0.15603664  0.18832558 -0.03174077
   0.37210479  0.09703952  0.37115095
   0.13166673  0.41904599  0.10123090
   0.36943521  0.34442629  0.24399606
   0.10214034  0.14654100  0.48112007
   0.41797524  0.15536249  0.85882144
   0.11079792  0.40527591  0.62087946
   0.35989905  0.40865159  0.75407916
   0.12023478  0.69720587 -0.00847318
   0.40841133  0.58636869  0.36755244
   0.05846928  0.88743403  0.15391928
   0.33854736  0.84093472  0.24525718
   0.18191378  0.65547101  0.49764582
   0.36306921  0.66520332  0.87115891
   0.06366418  0.91927257  0.61936711
   0.31565071  1.02012167  0.69215483
   0.64484804  0.15362541  1.01481420
   0.85533923  0.13417903  0.35304130
   0.60033046  0.41917419  0.12315102
   0.87531519  0.31627924  0.17457662
   0.61365356  0.18283821  0.49664073
   0.88186489  0.10694738  0.88067383
   0.58198246  0.44440135  0.62489607
   0.74544367  0.36695004  0.80807986
   0.61816405  0.68114815 -0.00828733
   0.92582047  0.59022079  0.37269449
   0.57391436  0.92182650  0.13575355
   0.80980053  0.84163102  0.25793905
   0.66063322  0.62767848  0.46524219
   0.87155377  0.60533312  0.88576484
   0.60328467  0.94131591  0.63934464
   0.82866865  0.85872052  0.76321860
   0.05069238  0.05764046  0.16189997
   0.33412400  0.19307580  0.27730607
   0.08533064  0.32953086  0.00843543
   0.33981913  0.43525240  0.33989572
   0.51985817  0.38232449  0.21302672
   0.27310118  0.38583293  0.15214762
   0.25011311  0.08891603  0.45374184
   0.01707861  0.16531455  0.37912318
   0.00840206  0.04688204  0.55209548
   0.44415208  0.26384205  0.77365393
   0.12495499  0.27633096  0.54910820
   0.35343226  0.49629105  0.85497039
   0.43545596  0.47307438  0.66001027
   0.21156691  0.38771190  0.71347290
   0.28113480  0.22611965 -0.09510293
   0.04107542  0.13483762  0.89426859
   0.12640906  0.58361990  0.08662797
   0.39532329  0.68275367  0.26879546
   0.09960213  0.83896530  0.04871244
   0.36045603  0.94326962  0.33077936
   0.41536632  0.90508064  0.15649561
   0.17176854  0.83173317  0.22971799
   0.33490601  0.66209399  0.45380506
   0.07554777  0.65124946  0.40380043
   0.18980716  0.53109910  0.57620733
   0.32828208  0.74466710  0.77307182
   0.13574775  0.78932827  0.55672961
   0.38276937  1.02596184  0.79878113
   0.44394552  0.94800655  0.62971717
   0.17131760  0.95936627  0.69594614
   0.26877100  0.69919960 -0.03909317
   0.02141787  0.64429387  0.91158698
   0.60804312  0.07886647  0.11033155
   0.83928478  0.20065715  0.25333834
   0.62150574  0.31467464  0.03862718
   0.94309735  0.43286926  0.34002341
   0.02798653  0.38033645  0.18201889
   0.76004515  0.43533739  0.16696593
   0.74239189  0.18178215  0.42755670
   0.51270457  0.10899456  0.42008786
   0.66192928  0.08817437  0.59003852
   0.80405509  0.21167208  0.80030544
   0.57270821  0.33499647  0.53806188
   0.86733843  0.43830498  0.87030868
   0.95516572  0.42840657  0.65133080
   0.69651201  0.41297871  0.70045059
   0.79634378  0.10945343  0.98008236
   0.53491766  0.12278125  0.92736605
   0.55446561  0.56475274  0.06351854
   0.84318404  0.67951256  0.28963205
   0.61959163  0.83315500  0.04297160
   0.84258375  0.96155748  0.33181387
   0.90128556  0.84919920  0.16337341
   0.65213785  0.84870043  0.22239230
   0.82927660  0.57640999  0.46842236
   0.56411745  0.53808112  0.39582747
   0.61949462  0.59422720  0.57447986
   0.80894144  0.69412102  0.79755173
   0.63409625  0.78337813  0.42921406
   0.88734892  0.94225397  0.84732961
   0.92326445  0.85462805  0.65687641
   0.67528115  0.92116641  0.74488674
   0.77556492  0.62170097  0.97957902
   0.51168865  0.69280237  0.90198125
   0.62295732  0.82208633  0.57422742
   0.67249585  0.85931833  0.46102637
   0.88624312  0.24589902  0.08153886
   1.01318189  0.40588771  0.28421051
   0.32156641  0.16118584  0.66297402
   0.27440848  0.69877707  0.72679711
  -0.04058620  1.10119185  0.14288826
   0.18682287  1.08291494  0.04322770
   0.63041347  0.38989628  0.86215327
   0.88482152  0.48040385  0.62026906
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858657    0.529277    0.001582
    -0.000000    9.766614    0.053433
    -0.000000    0.000000   14.152361
   Si   O    H 
    32    64    10
Direct configuration=  1327
   0.15635699  0.18956162 -0.03236796
   0.37151061  0.09808433  0.37248880
   0.13107730  0.41928345  0.10040364
   0.36831748  0.34355509  0.24353000
   0.10075351  0.14424815  0.48124973
   0.41828018  0.15702697  0.85862355
   0.11013611  0.40603054  0.62182341
   0.35980813  0.40879953  0.75340885
   0.12080240  0.69785242 -0.00881349
   0.40891243  0.58514415  0.36791222
   0.05776977  0.88804036  0.15421841
   0.33973420  0.84043642  0.24494026
   0.18263989  0.65455820  0.49749948
   0.36313427  0.66497561  0.87025721
   0.06394966  0.91908397  0.61878723
   0.31579831  1.01842915  0.69127784
   0.64547416  0.15399879  1.01506399
   0.85548037  0.13520596  0.35332628
   0.59902825  0.41865674  0.12257628
   0.87434148  0.31508890  0.17484677
   0.61535306  0.18178768  0.49655811
   0.88149889  0.10648769  0.88105716
   0.58395249  0.44323616  0.62459819
   0.74486203  0.36806440  0.80759602
   0.61760798  0.68163986 -0.00895326
   0.92635561  0.58991672  0.37289224
   0.57322379  0.92186250  0.13623866
   0.80931403  0.84097085  0.25885422
   0.65979240  0.62752066  0.46558420
   0.87218760  0.60435591  0.88617601
   0.60393048  0.94075528  0.63920992
   0.82919451  0.85802081  0.76286831
   0.04986198  0.06030328  0.16230771
   0.33227430  0.19132066  0.27718182
   0.08568554  0.32939801  0.00780708
   0.34030217  0.43611026  0.33995194
   0.52023485  0.38135004  0.21273841
   0.27448502  0.38537856  0.15159945
   0.25050683  0.08891596  0.45401834
   0.01794877  0.16545739  0.38023389
   0.01031114  0.04701794  0.55296312
   0.44486625  0.26507428  0.77332143
   0.12486839  0.27596643  0.55002763
   0.35400149  0.49631042  0.85537116
   0.43529834  0.47261509  0.66116830
   0.21121736  0.38773284  0.71394283
   0.28026336  0.22551755 -0.09537933
   0.04040116  0.13536640  0.89409244
   0.12729919  0.58396665  0.08527776
   0.39576770  0.68328211  0.26897659
   0.09855443  0.83950141  0.04922611
   0.35914570  0.94147982  0.33100577
   0.41546187  0.90669308  0.15640577
   0.17155401  0.83274345  0.22936412
   0.33488855  0.66419260  0.45360245
   0.07585486  0.65286931  0.40318036
   0.18899917  0.53161566  0.57698143
   0.32887871  0.74439107  0.77241294
   0.13650366  0.79119619  0.55786186
   0.38357351  1.02401911  0.79914107
   0.44382918  0.94757417  0.62970423
   0.17047914  0.96021458  0.69670172
   0.26785030  0.69883817 -0.03985654
   0.02113912  0.64480412  0.91275204
   0.60718942  0.07899419  0.10949844
   0.83916176  0.19954970  0.25296332
   0.62067786  0.31478255  0.03841601
   0.94453658  0.43347057  0.33962449
   0.02670976  0.37918640  0.18337103
   0.75967728  0.43635197  0.16717716
   0.74203110  0.18259192  0.42599604
   0.51226917  0.10804014  0.41978091
   0.66160379  0.08625925  0.59032780
   0.80376642  0.21064759  0.80028687
   0.57302121  0.33306785  0.53920951
   0.86622773  0.44087746  0.87014326
   0.95437084  0.42705695  0.65041203
   0.69525755  0.41262114  0.70112759
   0.79392179  0.10948853  0.98222115
   0.53606280  0.12519032  0.92721387
   0.55476735  0.56581637  0.06326722
   0.84577776  0.67789611  0.28964739
   0.61894857  0.83337393  0.04429182
   0.84089486  0.96226702  0.33205439
   0.90190571  0.84886989  0.16306302
   0.65176358  0.84859415  0.22055275
   0.83302955  0.57611361  0.46864307
   0.56561631  0.53819437  0.39752144
   0.62100076  0.59530168  0.57545353
   0.80975225  0.69478757  0.79705074
   0.63669135  0.78306058  0.42804444
   0.88714555  0.94198825  0.84622187
   0.92350233  0.85407445  0.65766815
   0.67682686  0.92193700  0.74472808
   0.77636257  0.62260355  0.98001638
   0.51166115  0.69146508  0.90163088
   0.62275297  0.81836090  0.57502513
   0.67130120  0.85860431  0.46128798
   0.89235238  0.24218458  0.08397541
   1.01392689  0.39625938  0.28610996
   0.31401310  0.15827831  0.66639282
   0.27732201  0.69488463  0.72427876
  -0.04170415  1.10237202  0.14600988
   0.18639905  1.08678543  0.04502952
   0.62652728  0.39168812  0.86380807
   0.88014058  0.47910628  0.61855483
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860026    0.529252   -0.000384
    -0.000000    9.763546    0.049602
    -0.000000    0.000000   14.151964
   Si   O    H 
    32    64    10
Direct configuration=  1328
   0.15574480  0.19059028 -0.03264393
   0.37056635  0.09886196  0.37373846
   0.13116374  0.41956235  0.09955211
   0.36711790  0.34256044  0.24324172
   0.09956060  0.14227502  0.48161718
   0.41774059  0.15817237  0.85837706
   0.11038265  0.40681408  0.62264993
   0.36014249  0.40873545  0.75291907
   0.12149449  0.69848243 -0.00890897
   0.40907679  0.58451912  0.36783950
   0.05714751  0.88883407  0.15466922
   0.34115135  0.83917088  0.24473563
   0.18383136  0.65343840  0.49699713
   0.36329913  0.66394046  0.86930937
   0.06415631  0.91852216  0.61810175
   0.31654602  1.01667671  0.69024649
   0.64539457  0.15448810  1.01555841
   0.85594147  0.13559888  0.35372605
   0.59839318  0.41930849  0.12142038
   0.87313564  0.31371353  0.17472944
   0.61722780  0.18081402  0.49650051
   0.88125624  0.10656509  0.88148956
   0.58530333  0.44311687  0.62406880
   0.74450413  0.36965690  0.80673026
   0.61663613  0.68169388 -0.00965633
   0.92715076  0.58954522  0.37298044
   0.57216656  0.92125483  0.13639340
   0.80951569  0.84014773  0.26010692
   0.65935010  0.62666263  0.46556502
   0.87253718  0.60272200  0.88669797
   0.60493467  0.94056928  0.63943520
   0.83008164  0.85686397  0.76219383
   0.04911028  0.06194330  0.16264450
   0.33122330  0.18949457  0.27737708
   0.08593479  0.33045254  0.00754328
   0.34017235  0.43771004  0.34029076
   0.51983222  0.38005597  0.21232311
   0.27607179  0.38405480  0.15124554
   0.25096715  0.08922674  0.45460521
   0.01853673  0.16489477  0.38095347
   0.01284790  0.04685599  0.55361169
   0.44544339  0.26613201  0.77292566
   0.12539779  0.27481590  0.55026488
   0.35494600  0.49703699  0.85551175
   0.43456570  0.47210632  0.66188470
   0.21033841  0.38724505  0.71411594
   0.27966481  0.22520891 -0.09604172
   0.03884943  0.13649860  0.89381322
   0.12748598  0.58412620  0.08370809
   0.39523338  0.68256751  0.26901678
   0.09740361  0.84083791  0.04970897
   0.35790161  0.94013460  0.33115071
   0.41536149  0.90841904  0.15632123
   0.17177988  0.83384684  0.22871015
   0.33503406  0.66681310  0.45414219
   0.07544510  0.65453490  0.40274974
   0.18887957  0.53302268  0.57682634
   0.32857447  0.74450625  0.77162959
   0.13696595  0.79327340  0.55879588
   0.38333853  1.02262457  0.79908910
   0.44278428  0.94662316  0.62985596
   0.17009546  0.96126650  0.69789448
   0.26765649  0.69919625 -0.04161316
   0.02161402  0.64496763  0.91314708
   0.60675814  0.07847137  0.10893130
   0.83921698  0.19908807  0.25225943
   0.61966153  0.31427894  0.03819182
   0.94582996  0.43330997  0.33958987
   0.02497293  0.37825931  0.18489346
   0.75832802  0.43776469  0.16729748
   0.74124070  0.18402015  0.42503761
   0.51218120  0.10754862  0.41987630
   0.66197987  0.08451658  0.59123324
   0.80412672  0.20917298  0.80005553
   0.57351875  0.33135701  0.54063938
   0.86519104  0.44343627  0.86979346
   0.95313824  0.42676518  0.64959463
   0.69563186  0.41202416  0.70189690
   0.79154229  0.11008835  0.98354842
   0.53757308  0.12716557  0.92778741
   0.55592905  0.56598731  0.06351442
   0.84755813  0.67699991  0.28931239
   0.61875663  0.83445833  0.04486877
   0.84046883  0.96301106  0.33260835
   0.90213269  0.84799189  0.16254812
   0.65210130  0.84872157  0.21914681
   0.83487218  0.57704103  0.46892141
   0.56838261  0.53781031  0.39904355
   0.62160401  0.59638258  0.57680331
   0.81051012  0.69571093  0.79663127
   0.63887557  0.78377639  0.42675891
   0.88655495  0.94193096  0.84537741
   0.92404842  0.85357400  0.65864695
   0.67764249  0.92263349  0.74381487
   0.77801192  0.62353053  0.98026875
   0.51195496  0.69051845  0.90143275
   0.62707755  0.81963066  0.57903014
   0.67323217  0.85704625  0.46229959
   0.89489564  0.23869223  0.08696287
   1.00824279  0.39123683  0.29166758
   0.30249341  0.15728534  0.66806075
   0.28160563  0.69295766  0.72395856
  -0.03653892  1.10352069  0.14896838
   0.18828629  1.09279456  0.04562092
   0.61740310  0.39611034  0.86552019
   0.88090509  0.47852038  0.61945872
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861255    0.529312   -0.002613
    -0.000000    9.760808    0.045602
    -0.000000    0.000000   14.151093
   Si   O    H 
    32    64    10
Direct configuration=  1329
   0.15499519  0.19125208 -0.03314426
   0.36911934  0.09883846  0.37487408
   0.13101465  0.41991445  0.09862344
   0.36588725  0.34173463  0.24318381
   0.09841514  0.14022527  0.48175342
   0.41713411  0.15935697  0.85820453
   0.11094787  0.40715604  0.62331752
   0.36044778  0.40859153  0.75271558
   0.12259125  0.69935758 -0.00816269
   0.40933059  0.58383922  0.36779150
   0.05669705  0.88937266  0.15526508
   0.34239123  0.83774397  0.24427533
   0.18430476  0.65204053  0.49625788
   0.36299284  0.66271198  0.86846013
   0.06455578  0.91754583  0.61740798
   0.31698195  1.01559395  0.68990024
   0.64437061  0.15534785  1.01579846
   0.85600319  0.13666684  0.35371859
   0.59831521  0.42045256  0.12034498
   0.87187736  0.31233034  0.17470937
   0.61878472  0.17992147  0.49642150
   0.88030124  0.10651399  0.88180892
   0.58718784  0.44359852  0.62298069
   0.74404114  0.37030121  0.80677961
   0.61548130  0.68218999 -0.01016800
   0.92781161  0.58872074  0.37323550
   0.57169845  0.92076620  0.13663102
   0.80984043  0.83939994  0.26109055
   0.65926756  0.62628791  0.46564792
   0.87239366  0.60156836  0.88724692
   0.60618189  0.94076499  0.63971429
   0.83106967  0.85550601  0.76139187
   0.04856425  0.06252969  0.16293886
   0.33032081  0.18718641  0.27788255
   0.08616514  0.33269545  0.00700235
   0.34110132  0.43886836  0.34010617
   0.51963094  0.37822569  0.21163949
   0.27802104  0.38209512  0.15111119
   0.25239434  0.08956868  0.45465154
   0.01913734  0.16388427  0.38189971
   0.01419422  0.04675021  0.55393198
   0.44608828  0.26616425  0.77310804
   0.12625983  0.27405471  0.55051785
   0.35529817  0.49709534  0.85524573
   0.43316209  0.47210287  0.66290482
   0.20883830  0.38641674  0.71432378
   0.27953689  0.22486604 -0.09661627
   0.03775307  0.13777092  0.89375996
   0.12699713  0.58441100  0.08199503
   0.39471811  0.68139004  0.26965676
   0.09613230  0.84164631  0.04941090
   0.35734968  0.93867497  0.33150158
   0.41536651  0.91088332  0.15539358
   0.17280443  0.83409229  0.22837701
   0.33484750  0.66871450  0.45472918
   0.07539019  0.65568140  0.40290088
   0.18829011  0.53472982  0.57614802
   0.32789010  0.74488865  0.77028694
   0.13747331  0.79491714  0.55988687
   0.38354438  1.02124913  0.79917568
   0.44215778  0.94587615  0.63020540
   0.16994910  0.96249264  0.69912197
   0.26845674  0.70006787 -0.04333244
   0.02167943  0.64452008  0.91342078
   0.60691787  0.07814031  0.10872917
   0.83898715  0.19925817  0.25152991
   0.61840157  0.31312952  0.03821748
   0.94648746  0.43272536  0.33976101
   0.02359348  0.37738444  0.18570083
   0.75633063  0.43860691  0.16728689
   0.74080049  0.18608688  0.42441553
   0.51233780  0.10765524  0.42016408
   0.66308845  0.08234892  0.59165111
   0.80515882  0.20762188  0.79951896
   0.57435328  0.33000193  0.54240992
   0.86494459  0.44563041  0.86919354
   0.95214100  0.42629467  0.64963296
   0.69616089  0.41166090  0.70275805
   0.79090069  0.11010884  0.98485701
   0.53897518  0.12817531  0.92905376
   0.55744444  0.56663456  0.06400940
   0.84885006  0.67652213  0.28929293
   0.61790824  0.83505297  0.04504342
   0.84024171  0.96340937  0.33272861
   0.90264786  0.84617273  0.16295580
   0.65260891  0.84867189  0.21815983
   0.83632916  0.57753001  0.46913029
   0.57075794  0.53753185  0.39984418
   0.62253725  0.59730090  0.57776444
   0.81178551  0.69638559  0.79707853
   0.64037388  0.78308487  0.42557946
   0.88507884  0.94182585  0.84457035
   0.92444359  0.85198726  0.66042987
   0.67805685  0.92339385  0.74260091
   0.77926838  0.62471861  0.98039524
   0.51385928  0.68916972  0.90122811
   0.63736075  0.82123196  0.58553949
   0.68001994  0.85609624  0.46160399
   0.89719746  0.23680040  0.08994445
   1.00505720  0.38556221  0.29868403
   0.29230873  0.15922865  0.66555229
   0.28523224  0.69446373  0.72600385
  -0.03970036  1.11054840  0.14995291
   0.19231531  1.09915421  0.04356262
   0.61292215  0.40159323  0.86607378
   0.87629385  0.47854958  0.61846945
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862556    0.528924   -0.004474
    -0.000000    9.758033    0.041427
    -0.000000    0.000000   14.150177
   Si   O    H 
    32    64    10
Direct configuration=  1330
   0.15509442  0.19141115 -0.03350045
   0.36745435  0.09880456  0.37592802
   0.13105240  0.42023035  0.09787526
   0.36495268  0.34118570  0.24376301
   0.09697669  0.13919495  0.48203789
   0.41637540  0.15990758  0.85761209
   0.11139436  0.40773760  0.62409827
   0.36048099  0.40943687  0.75272353
   0.12331886  0.69991793 -0.00752133
   0.40965545  0.58313404  0.36739711
   0.05670791  0.89034357  0.15536582
   0.34293882  0.83671522  0.24362918
   0.18468851  0.65128082  0.49515007
   0.36227941  0.66136378  0.86777710
   0.06525138  0.91625071  0.61724383
   0.31821272  1.01447955  0.69009454
   0.64317276  0.15648160  1.01636839
   0.85571302  0.13748621  0.35361670
   0.59834337  0.42283316  0.11914943
   0.87090419  0.31129731  0.17501007
   0.62003615  0.17892732  0.49674477
   0.87924950  0.10662619  0.88222914
   0.58817195  0.44418127  0.62180356
   0.74381373  0.37011122  0.80689682
   0.61472793  0.68279028 -0.00988604
   0.92821113  0.58806671  0.37327498
   0.57066660  0.92004507  0.13678592
   0.81057227  0.83911847  0.26146387
   0.66000969  0.62589923  0.46578927
   0.87194619  0.60111004  0.88758912
   0.60725470  0.94108716  0.63979033
   0.83077247  0.85450174  0.76004827
   0.04855863  0.06329972  0.16373658
   0.32886980  0.18462452  0.27843787
   0.08627616  0.33521809  0.00672415
   0.34238064  0.44001898  0.33956555
   0.51879194  0.37721570  0.21145360
   0.27910499  0.38059871  0.15058493
   0.25391308  0.08985230  0.45460333
   0.01880645  0.16364779  0.38347514
   0.01536750  0.04609549  0.55420492
   0.44699878  0.26623016  0.77291581
   0.12646418  0.27363151  0.55075498
   0.35597492  0.49672906  0.85442397
   0.43213547  0.47176093  0.66382080
   0.20688566  0.38487198  0.71468696
   0.27943426  0.22526600 -0.09674559
   0.03738359  0.13851937  0.89375460
   0.12616442  0.58397680  0.08026367
   0.39462248  0.68100469  0.27063190
   0.09462845  0.84253350  0.04837428
   0.35712970  0.93732264  0.33223511
   0.41524107  0.91352453  0.15451178
   0.17437549  0.83454222  0.22809536
   0.33440836  0.67019001  0.45534493
   0.07531288  0.65647369  0.40289312
   0.18835422  0.53614808  0.57562666
   0.32757207  0.74539573  0.76885424
   0.13816726  0.79580474  0.56075432
   0.38434332  1.02004511  0.79903299
   0.44111429  0.94495608  0.63057056
   0.16940879  0.96262993  0.69995966
   0.27038715  0.70103830 -0.04545967
   0.02160329  0.64486793  0.91341888
   0.60716269  0.07779710  0.10849338
   0.83866365  0.19893585  0.25155621
   0.61772010  0.31161989  0.03800230
   0.94667288  0.43248037  0.34053684
   0.02197095  0.37647930  0.18687502
   0.75336899  0.43882993  0.16720454
   0.74072778  0.18802293  0.42371625
   0.51296423  0.10681466  0.42085029
   0.66421759  0.08089072  0.59134716
   0.80675295  0.20671429  0.79933833
   0.57487770  0.32832155  0.54360877
   0.86437409  0.44568396  0.86797794
   0.95087172  0.42614591  0.65011732
   0.69737627  0.41100031  0.70370049
   0.79144113  0.10970212  0.98556719
   0.54014511  0.12924997  0.93057542
   0.55886266  0.56715933  0.06448728
   0.84945936  0.67690619  0.28905088
   0.61718477  0.83482568  0.04473423
   0.84021055  0.96272477  0.33244727
   0.90272038  0.84528708  0.16328112
   0.65346535  0.84771150  0.21807993
   0.83697194  0.57733864  0.46897802
   0.57220654  0.53770536  0.40004934
   0.62370798  0.59787372  0.57858786
   0.81293223  0.69732941  0.79711194
   0.64284803  0.78220455  0.42524375
   0.88447798  0.94115922  0.84379567
   0.92424957  0.85043779  0.66223479
   0.67940791  0.92400007  0.74127849
   0.77950669  0.62636384  0.98084278
   0.51593667  0.68829371  0.90079313
   0.64659040  0.81725339  0.58950725
   0.68311176  0.85525572  0.45996945
   0.89666392  0.23631362  0.09060577
   1.01071984  0.37710827  0.30067143
   0.28861382  0.15829029  0.66146060
   0.28488001  0.68629258  0.71972472
  -0.03942305  1.11069937  0.14963537
   0.19781914  1.10042558  0.04021913
   0.61335541  0.40524436  0.86575356
   0.87573152  0.47659881  0.61759418
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863613    0.528594   -0.006575
    -0.000000    9.755918    0.037443
    -0.000000    0.000000   14.149371
   Si   O    H 
    32    64    10
Direct configuration=  1331
   0.15477675  0.19120888 -0.03400723
   0.36565911  0.09866746  0.37658517
   0.13069250  0.42117651  0.09767189
   0.36384278  0.34110752  0.24447381
   0.09577431  0.13853727  0.48225811
   0.41601380  0.16059709  0.85733432
   0.11213877  0.40825764  0.62410918
   0.36054671  0.41014739  0.75257275
   0.12414521  0.69991555 -0.00643153
   0.40934546  0.58180608  0.36718942
   0.05707712  0.89164073  0.15533863
   0.34295372  0.83692694  0.24320195
   0.18424115  0.65057879  0.49417325
   0.36190425  0.65956299  0.86685816
   0.06578892  0.91483000  0.61756904
   0.31936736  1.01387577  0.69063908
   0.64178483  0.15754513  1.01637891
   0.85619275  0.13782657  0.35361472
   0.59805364  0.42499072  0.11816132
   0.87003237  0.31078251  0.17504024
   0.62144040  0.17778129  0.49684981
   0.87833675  0.10675646  0.88251322
   0.58822960  0.44529315  0.62076992
   0.74303879  0.36956453  0.80725438
   0.61409163  0.68372614 -0.00944737
   0.92866677  0.58825490  0.37323624
   0.56954468  0.91895864  0.13692223
   0.81044982  0.83847529  0.26139402
   0.66163670  0.62517760  0.46615295
   0.87143264  0.60148137  0.88744325
   0.60853247  0.94105555  0.63989313
   0.83021522  0.85416456  0.75873333
   0.04906122  0.06421793  0.16490421
   0.32729181  0.18207797  0.27902142
   0.08674560  0.33816560  0.00594808
   0.34305572  0.44085527  0.33890423
   0.51787524  0.37613552  0.21147768
   0.27944844  0.37820530  0.15016563
   0.25522749  0.09029657  0.45479396
   0.01830814  0.16268430  0.38458212
   0.01588703  0.04543335  0.55456248
   0.44776151  0.26661792  0.77338960
   0.12682827  0.27301326  0.55113367
   0.35592866  0.49626360  0.85338296
   0.43182041  0.47054568  0.66476076
   0.20502162  0.38371819  0.71523874
   0.28020313  0.22635745 -0.09671719
   0.03760867  0.13926810  0.89383117
   0.12586035  0.58339282  0.07884566
   0.39509278  0.68093757  0.27159568
   0.09267985  0.84422191  0.04761945
   0.35727867  0.93684503  0.33323940
   0.41433012  0.91563734  0.15395701
   0.17612998  0.83529846  0.22781890
   0.33428065  0.67220395  0.45546022
   0.07486445  0.65672359  0.40331646
   0.18760602  0.53793284  0.57550785
   0.32659088  0.74543139  0.76767502
   0.13877472  0.79579143  0.56145280
   0.38524513  1.01811194  0.80007778
   0.44111801  0.94447800  0.63074775
   0.16950236  0.96205329  0.70076202
   0.27253186  0.70160795 -0.04663609
   0.02202175  0.64604692  0.91330342
   0.60679069  0.07699917  0.10888067
   0.83799142  0.19913422  0.25217356
   0.61686818  0.31065710  0.03726326
   0.94757303  0.43255408  0.34186399
   0.02059778  0.37539358  0.18756180
   0.75076101  0.43814061  0.16688020
   0.74054913  0.19009460  0.42333865
   0.51302904  0.10612736  0.42167734
   0.66527165  0.07999223  0.59096279
   0.80794477  0.20590349  0.79905683
   0.57523629  0.32620193  0.54457602
   0.86352119  0.44562942  0.86663430
   0.95048999  0.42658419  0.65073152
   0.69838194  0.40973398  0.70428438
   0.79249616  0.10989604  0.98594975
   0.54087295  0.13011380  0.93244924
   0.56011899  0.56724203  0.06503699
   0.84941057  0.67673759  0.28900878
   0.61662228  0.83386179  0.04361314
   0.84047332  0.96268335  0.33285263
   0.90264269  0.84378923  0.16372840
   0.65573091  0.84685745  0.21880162
   0.83688384  0.57815641  0.46808211
   0.57256498  0.53796170  0.39957399
   0.62491189  0.59808528  0.57923290
   0.81348232  0.69773364  0.79745518
   0.64562432  0.78158738  0.42477682
   0.88426245  0.94124533  0.84361624
   0.92360797  0.84855889  0.66398573
   0.68012971  0.92461806  0.73991186
   0.77926063  0.62892757  0.98120941
   0.51821190  0.68704850  0.90089261
   0.65744440  0.81308525  0.59281598
   0.68630147  0.85441233  0.45970492
   0.89040677  0.23859191  0.08913242
   1.01727705  0.37229942  0.30262692
   0.28643514  0.15579882  0.65766413
   0.28733858  0.68583406  0.71507071
  -0.03841029  1.11056970  0.14971040
   0.20368577  1.10071114  0.03768781
   0.61830938  0.40667878  0.86335742
   0.88077790  0.47178312  0.61769283
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.864806    0.528020   -0.008910
    -0.000000    9.753937    0.033492
    -0.000000    0.000000   14.148458
   Si   O    H 
    32    64    10
Direct configuration=  1332
   0.15435356  0.19131595 -0.03430212
   0.36421992  0.09856005  0.37712282
   0.13031941  0.42153729  0.09738818
   0.36306352  0.34031400  0.24498328
   0.09527491  0.13843346  0.48274806
   0.41655275  0.16098730  0.85677652
   0.11280322  0.40913686  0.62379082
   0.36095263  0.41049813  0.75226896
   0.12460808  0.69949412 -0.00534298
   0.40930057  0.58073480  0.36722214
   0.05683769  0.89287735  0.15569688
   0.34293268  0.83761648  0.24338232
   0.18346425  0.65059854  0.49365606
   0.36185500  0.65815987  0.86612535
   0.06607273  0.91356659  0.61815914
   0.32032732  1.01360760  0.69151624
   0.64081562  0.15827705  1.01654287
   0.85736226  0.13768313  0.35313682
   0.59825206  0.42737142  0.11763415
   0.86944598  0.31119952  0.17555837
   0.62201448  0.17632765  0.49712216
   0.87781435  0.10668564  0.88305993
   0.58783412  0.44620546  0.62001011
   0.74239524  0.36927295  0.80828756
   0.61351631  0.68452871 -0.00879493
   0.92907318  0.58785500  0.37350242
   0.56937533  0.91693817  0.13679306
   0.81029395  0.83780635  0.26130836
   0.66312432  0.62486081  0.46659974
   0.87068156  0.60298327  0.88757080
   0.60931410  0.94095396  0.64022769
   0.82978021  0.85362200  0.75776537
   0.04991249  0.06491347  0.16642371
   0.32714431  0.18008699  0.27977791
   0.08742413  0.34072204  0.00513374
   0.34387978  0.44231065  0.33806525
   0.51676538  0.37500627  0.21152659
   0.27846700  0.37655546  0.14978688
   0.25591942  0.09084822  0.45524417
   0.01814353  0.16131569  0.38586352
   0.01636018  0.04551265  0.55428083
   0.44878711  0.26655308  0.77375272
   0.12726806  0.27216571  0.55174913
   0.35543026  0.49554054  0.85218918
   0.43191713  0.46990139  0.66518286
   0.20349673  0.38236378  0.71580571
   0.28041753  0.22760325 -0.09664880
   0.03721210  0.13986174  0.89423833
   0.12539560  0.58220170  0.07737839
   0.39554012  0.68052490  0.27259413
   0.09144594  0.84637177  0.04641237
   0.35762980  0.93602445  0.33417931
   0.41266131  0.91739651  0.15326346
   0.17735847  0.83571245  0.22727916
   0.33406882  0.67345797  0.45552967
   0.07513524  0.65686556  0.40378396
   0.18597829  0.53954771  0.57511146
   0.32579342  0.74471287  0.76606737
   0.13976181  0.79502802  0.56211565
   0.38671019  1.01555511  0.80048814
   0.44127013  0.94425577  0.63145410
   0.16922814  0.96123890  0.70126854
   0.27505641  0.70183533 -0.04779967
   0.02267199  0.64712431  0.91272485
   0.60589969  0.07626798  0.10981047
   0.83751776  0.19939575  0.25317482
   0.61602674  0.31089063  0.03720901
   0.94845400  0.43140923  0.34263183
   0.02004626  0.37405352  0.18824427
   0.74798115  0.43731179  0.16670003
   0.74107184  0.19172951  0.42350488
   0.51324918  0.10512818  0.42269825
   0.66642184  0.07932942  0.59024775
   0.80904063  0.20524895  0.79871964
   0.57559634  0.32349350  0.54488551
   0.86224461  0.44579952  0.86515752
   0.95128684  0.42578546  0.65219025
   0.69907248  0.40875339  0.70473900
   0.79347119  0.10939329  0.98581892
   0.54119501  0.13142806  0.93377542
   0.56150658  0.56714555  0.06546314
   0.84899125  0.67675766  0.28943444
   0.61595957  0.83251572  0.04181814
   0.84109042  0.96254543  0.33360395
   0.90274121  0.84338796  0.16411391
   0.65839020  0.84608098  0.21973127
   0.83666673  0.57886029  0.46737014
   0.57231585  0.53808562  0.39855068
   0.62479442  0.59867755  0.57954314
   0.81348828  0.69807420  0.79761357
   0.64804177  0.78076436  0.42395538
   0.88389618  0.94203329  0.84405891
   0.92209562  0.84754076  0.66571085
   0.68066222  0.92548094  0.73907828
   0.77827288  0.63133719  0.98114064
   0.51962708  0.68572214  0.90050534
   0.66652424  0.81255648  0.59698632
   0.68943108  0.85287613  0.45973036
   0.88252061  0.23693570  0.08423454
   1.01892971  0.37812413  0.30645274
   0.28672824  0.15159068  0.65377257
   0.29182146  0.69247297  0.71300739
  -0.03533650  1.10474367  0.14626885
   0.20873477  1.10096462  0.03787775
   0.62476117  0.40414227  0.86212269
   0.87877811  0.47211609  0.61289170
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866179    0.527404   -0.011263
    -0.000000    9.751285    0.029401
    -0.000000    0.000000   14.147761
   Si   O    H 
    32    64    10
Direct configuration=  1333
   0.15420789  0.19099907 -0.03430709
   0.36319468  0.09813092  0.37757093
   0.12971029  0.42168635  0.09768378
   0.36246389  0.33945486  0.24555216
   0.09447667  0.13873763  0.48318192
   0.41714398  0.16094792  0.85640812
   0.11385798  0.40878070  0.62334264
   0.36081077  0.41022261  0.75189273
   0.12482113  0.69923591 -0.00427324
   0.40946157  0.58054647  0.36742198
   0.05637122  0.89449260  0.15595900
   0.34316400  0.83838142  0.24342883
   0.18265029  0.65102020  0.49331316
   0.36264549  0.65685307  0.86468337
   0.06642941  0.91198284  0.61927840
   0.32195801  1.01358564  0.69254797
   0.64046960  0.15921876  1.01674897
   0.85904591  0.13676691  0.35263112
   0.59871777  0.42956436  0.11709655
   0.86830372  0.31170326  0.17618403
   0.62226902  0.17500174  0.49704246
   0.87742173  0.10641490  0.88345123
   0.58815287  0.44729916  0.61948033
   0.74214905  0.36867909  0.80923088
   0.61358181  0.68520443 -0.00836074
   0.92936478  0.58840037  0.37413482
   0.56902639  0.91580449  0.13677081
   0.81055372  0.83724279  0.26080408
   0.66503360  0.62438455  0.46707978
   0.87032362  0.60432483  0.88750802
   0.60981644  0.94018422  0.64016586
   0.82906709  0.85316297  0.75704724
   0.05093877  0.06559658  0.16757220
   0.32758499  0.18003413  0.28007310
   0.08828292  0.34304016  0.00412315
   0.34389457  0.44391127  0.33664457
   0.51553578  0.37496937  0.21171773
   0.27796158  0.37535927  0.14952246
   0.25629733  0.09159874  0.45543761
   0.01761146  0.15936281  0.38707127
   0.01651168  0.04525418  0.55425692
   0.44994326  0.26664264  0.77407467
   0.12702579  0.27193912  0.55217469
   0.35481674  0.49424106  0.85072434
   0.43225886  0.46990734  0.66581639
   0.20218734  0.38186315  0.71679074
   0.28042088  0.22868175 -0.09688339
   0.03659493  0.14037578  0.89437962
   0.12530569  0.58098810  0.07627336
   0.39627367  0.68048296  0.27343670
   0.09054652  0.84872958  0.04533190
   0.35713662  0.93668516  0.33494992
   0.40963785  0.91843842  0.15301830
   0.17835997  0.83578345  0.22725269
   0.33395218  0.67399286  0.45592150
   0.07542689  0.65650321  0.40474687
   0.18486659  0.54008060  0.57477877
   0.32476488  0.74364065  0.76508874
   0.14052515  0.79438912  0.56183876
   0.38818810  1.01296327  0.80047520
   0.44144281  0.94418699  0.63179491
   0.16895023  0.96055706  0.70186744
   0.27666354  0.70190775 -0.04894296
   0.02375228  0.64805000  0.91219932
   0.60445480  0.07583959  0.11054634
   0.83665893  0.20065895  0.25441070
   0.61532136  0.31164463  0.03738813
   0.94929794  0.42971745  0.34379182
   0.01999828  0.37311051  0.18819553
   0.74600553  0.43640206  0.16625280
   0.74198465  0.19368217  0.42405591
   0.51466169  0.10489700  0.42359654
   0.66742052  0.07932281  0.58950045
   0.81075407  0.20513871  0.79876491
   0.57660050  0.32169256  0.54436772
   0.86102436  0.44676551  0.86402270
   0.95203813  0.42498154  0.65355793
   0.69922220  0.40793614  0.70500040
   0.79484812  0.10900179  0.98544337
   0.54019158  0.13295048  0.93496089
   0.56385743  0.56753934  0.06629583
   0.84837209  0.67715034  0.29006354
   0.61540228  0.83083993  0.03987618
   0.84229068  0.96245942  0.33433624
   0.90350269  0.84270756  0.16417011
   0.66076497  0.84489479  0.22090902
   0.83679656  0.57950820  0.46640668
   0.57129531  0.53827748  0.39686780
   0.62423152  0.59880885  0.58011657
   0.81417310  0.69746789  0.79805733
   0.65041579  0.77952518  0.42330590
   0.88335186  0.94339815  0.84442625
   0.92196881  0.84581614  0.66731325
   0.68057315  0.92679695  0.73888033
   0.77649256  0.63321684  0.98107280
   0.52129360  0.68456174  0.90046894
   0.67121227  0.81442892  0.60054911
   0.69101010  0.85332527  0.45865292
   0.87295607  0.23692751  0.07952782
   1.01985613  0.38956571  0.31005251
   0.28747770  0.14664346  0.65036699
   0.29381412  0.69751848  0.71119583
  -0.03637838  1.10172729  0.13937708
   0.21386700  1.10215332  0.03852395
   0.62622932  0.40095956  0.86544084
   0.88501417  0.46783387  0.60834895
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867642    0.526548   -0.013537
    -0.000000    9.749255    0.025455
    -0.000000    0.000000   14.146917
   Si   O    H 
    32    64    10
Direct configuration=  1334
   0.15378939  0.19094347 -0.03466566
   0.36277634  0.09764703  0.37756083
   0.12960759  0.42176610  0.09809418
   0.36281006  0.33887963  0.24584144
   0.09421826  0.13918230  0.48365798
   0.41833794  0.16052126  0.85628431
   0.11476562  0.40825328  0.62276976
   0.36000668  0.40989762  0.75147899
   0.12488971  0.69929103 -0.00310830
   0.40943456  0.58082948  0.36753637
   0.05592393  0.89630875  0.15637101
   0.34343305  0.83926224  0.24333325
   0.18202088  0.65250196  0.49321407
   0.36421635  0.65592632  0.86323651
   0.06677720  0.91085799  0.62025393
   0.32372286  1.01393236  0.69334201
   0.64037246  0.15939975  1.01680180
   0.86105789  0.13525343  0.35259747
   0.59932530  0.43125207  0.11673193
   0.86637569  0.31301670  0.17658792
   0.62268651  0.17384431  0.49655977
   0.87672112  0.10658841  0.88354924
   0.58820559  0.44823131  0.61890257
   0.74237263  0.36844733  0.80994590
   0.61375426  0.68596449 -0.00773591
   0.92940531  0.58891005  0.37453581
   0.56945561  0.91551728  0.13682337
   0.81121661  0.83713728  0.26001158
   0.66646282  0.62403022  0.46751360
   0.86992787  0.60512429  0.88736144
   0.60976824  0.93957182  0.63986953
   0.82852936  0.85232788  0.75697999
   0.05219735  0.06581198  0.16813993
   0.32721548  0.18097105  0.27994075
   0.08878410  0.34442246  0.00370993
   0.34271927  0.44519610  0.33529746
   0.51429392  0.37445366  0.21174816
   0.27834544  0.37464059  0.14939001
   0.25565153  0.09122043  0.45639794
   0.01667364  0.15779635  0.38810516
   0.01759327  0.04404881  0.55419807
   0.45135458  0.26609410  0.77414536
   0.12668593  0.27119846  0.55236672
   0.35420026  0.49316312  0.84940957
   0.43245353  0.47092004  0.66587063
   0.20066141  0.38123414  0.71831507
   0.27996335  0.22999905 -0.09689206
   0.03631453  0.14109536  0.89456265
   0.12497996  0.58045252  0.07533297
   0.39726136  0.68060845  0.27408060
   0.09030774  0.85085911  0.04434844
   0.35711374  0.93783211  0.33614140
   0.40611732  0.91924657  0.15290862
   0.17904278  0.83451327  0.22686915
   0.33316181  0.67452580  0.45605912
   0.07585112  0.65651492  0.40567399
   0.18380107  0.53921824  0.57462057
   0.32361602  0.74262133  0.76429181
   0.14256336  0.79312122  0.56204998
   0.38890553  1.01234893  0.80055473
   0.44166521  0.94313224  0.63171200
   0.16846465  0.96029262  0.70213198
   0.27805671  0.70249249 -0.04993729
   0.02427694  0.64858930  0.91199154
   0.60291002  0.07516854  0.11166702
   0.83624431  0.20096375  0.25526667
   0.61476852  0.31262340  0.03732580
   0.94947065  0.42871109  0.34544380
   0.01965687  0.37247975  0.18761754
   0.74532052  0.43534903  0.16591522
   0.74337371  0.19570149  0.42443807
   0.51635514  0.10532651  0.42475784
   0.66892913  0.07942693  0.58943053
   0.81191396  0.20496654  0.79879741
   0.57775339  0.32056076  0.54494441
   0.86059538  0.44698181  0.86240642
   0.95348266  0.42434411  0.65424350
   0.69965214  0.40838825  0.70516305
   0.79613172  0.10877959  0.98526718
   0.53916877  0.13425905  0.93582490
   0.56565536  0.56833315  0.06695740
   0.84758469  0.67770413  0.29106889
   0.61449042  0.82890629  0.03866227
   0.84322734  0.96172561  0.33545631
   0.90402827  0.84204611  0.16457969
   0.66249344  0.84416197  0.22182922
   0.83591261  0.58041927  0.46532470
   0.56952165  0.53805458  0.39549511
   0.62383732  0.59867789  0.58023535
   0.81444552  0.69727941  0.79844878
   0.65260887  0.77911846  0.42329655
   0.88311798  0.94447267  0.84494214
   0.92277220  0.84453131  0.66855819
   0.68036711  0.92812303  0.73895218
   0.77507465  0.63495626  0.98088355
   0.52157212  0.68272705  0.89972807
   0.67402387  0.81745246  0.59964004
   0.68885783  0.85560035  0.45813360
   0.86629235  0.23810789  0.07855542
   1.03298945  0.39547442  0.30816155
   0.29264645  0.14279922  0.64733671
   0.29299736  0.70007388  0.70856429
  -0.03726502  1.09890279  0.13240042
   0.21510585  1.10267325  0.04194528
   0.62368732  0.39590819  0.86904109
   0.89480049  0.46339971  0.60762356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869467    0.526059   -0.016059
    -0.000000    9.746875    0.021187
    -0.000000    0.000000   14.145852
   Si   O    H 
    32    64    10
Direct configuration=  1335
   0.15338858  0.19100991 -0.03495846
   0.36252718  0.09708931  0.37763233
   0.12973039  0.42131750  0.09868877
   0.36330274  0.33831570  0.24597400
   0.09428821  0.13977660  0.48442931
   0.41922299  0.16010668  0.85631109
   0.11548586  0.40768511  0.62175607
   0.35806938  0.40927043  0.75086996
   0.12508561  0.69896169 -0.00217923
   0.41008996  0.58143125  0.36759945
   0.05564804  0.89757248  0.15650600
   0.34368046  0.84007377  0.24345466
   0.18158794  0.65423286  0.49296590
   0.36572097  0.65473846  0.86164709
   0.06678098  0.91016053  0.62094831
   0.32527355  1.01440770  0.69422974
   0.64091234  0.15861544  1.01721278
   0.86270723  0.13354299  0.35307304
   0.59986001  0.43238712  0.11681132
   0.86465817  0.31406225  0.17694468
   0.62287981  0.17267928  0.49641394
   0.87576127  0.10682869  0.88374685
   0.58833304  0.44947878  0.61866223
   0.74197034  0.36873499  0.81061326
   0.61381104  0.68659194 -0.00720430
   0.93021744  0.58929311  0.37500441
   0.57102470  0.91488022  0.13677167
   0.81256674  0.83687062  0.25979634
   0.66814278  0.62355194  0.46800980
   0.86946109  0.60586653  0.88712384
   0.60971630  0.93909832  0.63937536
   0.82843222  0.85195876  0.75735277
   0.05317109  0.06558541  0.16817035
   0.32757921  0.18238005  0.27947085
   0.08972950  0.34476453  0.00360302
   0.34065159  0.44603303  0.33424290
   0.51282423  0.37389328  0.21081110
   0.27814836  0.37434529  0.14914729
   0.25437663  0.09084540  0.45789944
   0.01528190  0.15616594  0.38881306
   0.01911145  0.04223591  0.55484482
   0.45227745  0.26565649  0.77404347
   0.12700435  0.27129150  0.55265070
   0.35325390  0.49231588  0.84822379
   0.43366973  0.47193535  0.66601164
   0.19871910  0.38025562  0.71970307
   0.27994491  0.23100875 -0.09657384
   0.03643461  0.14175340  0.89485026
   0.12483189  0.58014597  0.07443684
   0.39912897  0.68118341  0.27453008
   0.09060155  0.85209433  0.04353960
   0.35668122  0.93822305  0.33642804
   0.40261163  0.91971230  0.15268131
   0.17971517  0.83361465  0.22631201
   0.33236406  0.67472157  0.45529694
   0.07636105  0.65652231  0.40618867
   0.18271319  0.53843791  0.57389415
   0.32311366  0.74169311  0.76444162
   0.14457836  0.79109318  0.56113721
   0.38887118  1.01215806  0.80066249
   0.44197059  0.94162989  0.63171464
   0.16760498  0.95949894  0.70158951
   0.27869883  0.70311388 -0.05078505
   0.02435218  0.64870954  0.91247979
   0.60209273  0.07354384  0.11299312
   0.83471762  0.20147993  0.25548953
   0.61398998  0.31411370  0.03709917
   0.95007739  0.42829343  0.34689060
   0.01971897  0.37188413  0.18700280
   0.74559192  0.43401598  0.16556229
   0.74527120  0.19762164  0.42455370
   0.51747915  0.10621698  0.42609988
   0.66932112  0.07884219  0.58896059
   0.81284130  0.20569362  0.79844003
   0.57939366  0.31942729  0.54517675
   0.86055181  0.44764646  0.86113479
   0.95641098  0.42331827  0.65479374
   0.69947871  0.40965515  0.70499934
   0.79636388  0.10869914  0.98517318
   0.53752266  0.13464920  0.93565239
   0.56688550  0.56999639  0.06718671
   0.84736911  0.67804768  0.29219569
   0.61280681  0.82817861  0.03820347
   0.84421375  0.96146741  0.33574836
   0.90526222  0.84080208  0.16440292
   0.66341962  0.84467656  0.22236185
   0.83477931  0.58113182  0.46457107
   0.56761347  0.53955770  0.39447347
   0.62250625  0.59772271  0.58004343
   0.81485806  0.69653220  0.79745291
   0.65407490  0.77931423  0.42364246
   0.88289813  0.94555948  0.84595572
   0.92393308  0.84338955  0.66921537
   0.67974292  0.92965243  0.73960562
   0.77463175  0.63632828  0.98035188
   0.52156973  0.68082236  0.89933632
   0.67862387  0.81989294  0.59558758
   0.68604779  0.85897668  0.45814209
   0.86292198  0.24214948  0.08233912
   1.04100415  0.40161600  0.30833391
   0.29672003  0.14493126  0.64569126
   0.29364904  0.69976849  0.70267440
  -0.02824906  1.09351922  0.13084955
   0.21447612  1.10133333  0.04463252
   0.62201778  0.39059521  0.87324909
   0.89944284  0.46591487  0.60563218
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871452    0.525482   -0.019406
    -0.000000    9.744477    0.016971
    -0.000000    0.000000   14.144632
   Si   O    H 
    32    64    10
Direct configuration=  1336
   0.15337683  0.19132819 -0.03530934
   0.36262149  0.09615702  0.37789721
   0.12936584  0.42042898  0.09945785
   0.36364163  0.33757411  0.24589920
   0.09486230  0.14081582  0.48505677
   0.42045698  0.15924567  0.85650472
   0.11585907  0.40721116  0.62066999
   0.35620010  0.40848495  0.75022901
   0.12553743  0.69861814 -0.00164760
   0.41074907  0.58241244  0.36778685
   0.05559043  0.89887746  0.15657331
   0.34373606  0.84105882  0.24398491
   0.18149789  0.65619326  0.49262573
   0.36788700  0.65356692  0.85976647
   0.06644060  0.90928650  0.62163896
   0.32624804  1.01494261  0.69507675
   0.64173528  0.15784591  1.01723759
   0.86401349  0.13153436  0.35353283
   0.60032822  0.43269984  0.11709845
   0.86319586  0.31522706  0.17719133
   0.62280633  0.17139118  0.49622184
   0.87516624  0.10602663  0.88363749
   0.58799678  0.45036459  0.61838393
   0.74186209  0.36886692  0.81124153
   0.61389943  0.68647098 -0.00668600
   0.93111748  0.58974594  0.37488204
   0.57260805  0.91455915  0.13678469
   0.81391629  0.83694149  0.25935323
   0.66981015  0.62328692  0.46862540
   0.86908338  0.60686939  0.88726180
   0.60948547  0.93836844  0.63845149
   0.82777933  0.85164249  0.75758126
   0.05380047  0.06571073  0.16787953
   0.32875462  0.18386528  0.27923485
   0.09100219  0.34473636  0.00297796
   0.33868994  0.44694106  0.33382772
   0.51202467  0.37304268  0.21003190
   0.27775433  0.37476164  0.14907171
   0.25322661  0.09091485  0.46016951
   0.01414053  0.15482066  0.38905989
   0.02039745  0.04006386  0.55513358
   0.45285091  0.26576789  0.77387342
   0.12682403  0.27047695  0.55276409
   0.35166434  0.49205208  0.84799207
   0.43464672  0.47345708  0.66538445
   0.19775795  0.37841712  0.72143698
   0.28109350  0.23251991 -0.09612883
   0.03578151  0.14244460  0.89492424
   0.12485686  0.58011104  0.07422596
   0.40080984  0.68294003  0.27504307
   0.09029627  0.85265093  0.04280893
   0.35671156  0.93815377  0.33643766
   0.40048025  0.92044492  0.15249353
   0.18036662  0.83269412  0.22557934
   0.33183179  0.67485403  0.45459296
   0.07674307  0.65643683  0.40606304
   0.18168101  0.53772192  0.57376876
   0.32275479  0.74042094  0.76459284
   0.14595612  0.78899484  0.56053788
   0.38917221  1.01234541  0.80108581
   0.44246400  0.94015468  0.63176604
   0.16714795  0.95859764  0.70092229
   0.27887227  0.70390222 -0.05134520
   0.02405644  0.64810207  0.91242703
   0.60176351  0.07294912  0.11416316
   0.83370378  0.20214610  0.25549081
   0.61334556  0.31654015  0.03730877
   0.95049349  0.42753124  0.34781158
   0.01992735  0.37196323  0.18629663
   0.74615999  0.43224152  0.16500437
   0.74814712  0.19943180  0.42505931
   0.51774311  0.10689549  0.42718961
   0.67012666  0.07850246  0.58843765
   0.81288238  0.20698222  0.79837893
   0.58029547  0.32051842  0.54522037
   0.86095413  0.44765394  0.85999750
   0.95946803  0.42274182  0.65543912
   0.69904656  0.41138100  0.70485679
   0.79646101  0.10806024  0.98477400
   0.53534641  0.13553186  0.93501967
   0.56785538  0.57178871  0.06765134
   0.84731922  0.67869330  0.29339348
   0.61123309  0.82951711  0.03848857
   0.84538168  0.96098182  0.33587062
   0.90611419  0.83992945  0.16461612
   0.66278567  0.84554027  0.22274459
   0.83355955  0.58197673  0.46410516
   0.56574157  0.54148006  0.39330624
   0.62124191  0.59621111  0.57948166
   0.81567431  0.69573665  0.79648161
   0.65445043  0.77938424  0.42375554
   0.88273766  0.94612120  0.84666107
   0.92505686  0.84256503  0.66964133
   0.67988738  0.93030731  0.74039905
   0.77482398  0.63747415  0.97914355
   0.52130181  0.67871940  0.89810797
   0.68156183  0.82042906  0.59102918
   0.68310036  0.85957814  0.45691771
   0.86381556  0.24679121  0.08682044
   1.03442879  0.41014315  0.31128338
   0.30068203  0.14931318  0.64215513
   0.29814142  0.70199512  0.70300707
  -0.01799049  1.09125318  0.12804370
   0.21031017  1.09811945  0.04313827
   0.62037031  0.38470431  0.87753249
   0.90363842  0.46715805  0.60462157
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873267    0.524634   -0.022773
    -0.000000    9.742056    0.013009
    -0.000000    0.000000   14.142567
   Si   O    H 
    32    64    10
Direct configuration=  1337
   0.15309276  0.19206941 -0.03572279
   0.36340997  0.09472417  0.37806724
   0.12938419  0.41904456  0.10029194
   0.36336143  0.33767464  0.24568802
   0.09526791  0.14245230  0.48593019
   0.42120009  0.15855760  0.85703492
   0.11604062  0.40657625  0.61927627
   0.35460707  0.40764106  0.74944719
   0.12569400  0.69867130 -0.00117089
   0.41107431  0.58350779  0.36780156
   0.05565146  0.89991337  0.15657655
   0.34353824  0.84177033  0.24486336
   0.18120206  0.65788042  0.49256135
   0.36954659  0.65304842  0.85798806
   0.06603317  0.90771844  0.62234841
   0.32743811  1.01563815  0.69634457
   0.64263641  0.15684050  1.01748961
   0.86494280  0.12961910  0.35351364
   0.60031076  0.43272977  0.11718933
   0.86197553  0.31655340  0.17741428
   0.62277357  0.17013187  0.49589350
   0.87536085  0.10519230  0.88337079
   0.58802781  0.44998648  0.61830239
   0.74239785  0.36884867  0.81179331
   0.61436110  0.68607223 -0.00673953
   0.93233403  0.59024621  0.37416850
   0.57356902  0.91397449  0.13636425
   0.81554213  0.83673483  0.25895277
   0.67143831  0.62339171  0.46955558
   0.86846304  0.60714926  0.88749289
   0.60917362  0.93737173  0.63722785
   0.82713897  0.85171754  0.75838223
   0.05429078  0.06640774  0.16762619
   0.33064468  0.18477598  0.27932051
   0.09291951  0.34420392  0.00289006
   0.33699037  0.44549824  0.33327197
   0.51257674  0.37207758  0.20879996
   0.27715477  0.37634555  0.14877363
   0.25195377  0.09092784  0.46171105
   0.01280754  0.15397949  0.38899607
   0.02141737  0.03700610  0.55525216
   0.45335281  0.26645383  0.77391329
   0.12604264  0.27048813  0.55257773
   0.35054628  0.49117943  0.84717441
   0.43586315  0.47466700  0.66456044
   0.19743164  0.37693993  0.72314008
   0.28188590  0.23322196 -0.09579029
   0.03495868  0.14315816  0.89484057
   0.12472654  0.58043066  0.07430270
   0.40135085  0.68503963  0.27545522
   0.09012372  0.85338403  0.04213088
   0.35656080  0.93824829  0.33645185
   0.39823522  0.91976758  0.15227423
   0.18041237  0.83171433  0.22494147
   0.33192888  0.67347682  0.45339094
   0.07734808  0.65648236  0.40577703
   0.18040770  0.53732131  0.57306596
   0.32304975  0.73943916  0.76437769
   0.14820400  0.78735296  0.56003198
   0.38890476  1.01284464  0.80164999
   0.44287923  0.93916563  0.63163715
   0.16687821  0.95783855  0.70019894
   0.27871648  0.70429871 -0.05181857
   0.02342966  0.64710518  0.91196711
   0.60128716  0.07304479  0.11504895
   0.83206066  0.20349771  0.25620914
   0.61266750  0.31826859  0.03764200
   0.95115638  0.42633651  0.34909019
   0.01997792  0.37202354  0.18532507
   0.74734824  0.43139684  0.16395067
   0.75119891  0.20069251  0.42543574
   0.51730051  0.10662436  0.42794642
   0.67084552  0.07730262  0.58758005
   0.81284221  0.20828032  0.79853834
   0.58091279  0.32234673  0.54539907
   0.86193641  0.44786180  0.85918081
   0.96252835  0.42252248  0.65593111
   0.69829287  0.41261442  0.70423489
   0.79666688  0.10798759  0.98412907
   0.53343031  0.13572862  0.93361325
   0.56911725  0.57427656  0.06784040
   0.84769136  0.67993495  0.29483286
   0.60931686  0.83136755  0.03939528
   0.84680133  0.96136696  0.33605404
   0.90733355  0.83969945  0.16502292
   0.66111835  0.84601854  0.22256303
   0.83250583  0.58329753  0.46395324
   0.56521240  0.54387333  0.39262766
   0.62053409  0.59476561  0.57829997
   0.81732410  0.69488607  0.79571911
   0.65467881  0.77991786  0.42487927
   0.88222400  0.94683671  0.84746838
   0.92659827  0.84149080  0.66989452
   0.68001247  0.93017222  0.74101952
   0.77511648  0.63883093  0.97781019
   0.52077932  0.67706840  0.89724282
   0.67896396  0.82317294  0.58677556
   0.68020216  0.86179039  0.45643076
   0.86428786  0.25093857  0.09051871
   1.03014528  0.41489007  0.31360899
   0.30314434  0.15268929  0.63839841
   0.30130454  0.70376397  0.70396319
  -0.01695270  1.09570604  0.12069493
   0.20398162  1.09678787  0.04315525
   0.62207407  0.37949346  0.87986530
   0.90335287  0.46708969  0.60596223
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875359    0.523406   -0.025896
    -0.000000    9.739618    0.008909
    -0.000000    0.000000   14.140696
   Si   O    H 
    32    64    10
Direct configuration=  1338
   0.15330840  0.19300621 -0.03593914
   0.36382732  0.09318587  0.37795716
   0.12851576  0.41693841  0.10147359
   0.36329963  0.33792348  0.24534457
   0.09535148  0.14389372  0.48706070
   0.42091639  0.15841251  0.85675821
   0.11671606  0.40620620  0.61818413
   0.35310508  0.40641862  0.74899947
   0.12562250  0.69896059 -0.00101648
   0.41057642  0.58538712  0.36744526
   0.05603266  0.90046795  0.15672342
   0.34313009  0.84245021  0.24547807
   0.18119299  0.65926628  0.49256921
   0.37112560  0.65249406  0.85641571
   0.06560583  0.90656727  0.62299477
   0.32750474  1.01664117  0.69778856
   0.64367249  0.15631970  1.01752639
   0.86578696  0.12793708  0.35311507
   0.59992883  0.43213483  0.11788947
   0.86086332  0.31758370  0.17774464
   0.62317726  0.16957032  0.49547423
   0.87574463  0.10375871  0.88285167
   0.58811313  0.44948052  0.61833376
   0.74259257  0.36855930  0.81218583
   0.61472960  0.68599979 -0.00736516
   0.93315699  0.59121781  0.37341510
   0.57477303  0.91341261  0.13609040
   0.81685674  0.83612981  0.25870721
   0.67263518  0.62324714  0.47033777
   0.86870869  0.60765020  0.88763422
   0.60949867  0.93691448  0.63629752
   0.82682876  0.85145789  0.75901340
   0.05421406  0.06807018  0.16680514
   0.33267390  0.18608265  0.27960961
   0.09543937  0.34409643  0.00261410
   0.33567424  0.44397062  0.33271137
   0.51332535  0.37014884  0.20810033
   0.27666204  0.37841719  0.14828362
   0.25105223  0.09181588  0.46267205
   0.01176242  0.15258170  0.38879541
   0.02114030  0.03508314  0.55516799
   0.45474669  0.26680978  0.77361334
   0.12548914  0.27059147  0.55242766
   0.34962633  0.49008801  0.84661813
   0.43688222  0.47537004  0.66356250
   0.19724799  0.37551644  0.72472438
   0.28335980  0.23315847 -0.09618702
   0.03414686  0.14338551  0.89454773
   0.12458805  0.58046738  0.07536707
   0.40199360  0.68654500  0.27602194
   0.09003654  0.85327041  0.04171455
   0.35704180  0.93745748  0.33693438
   0.39686763  0.91862944  0.15178923
   0.18048178  0.83176072  0.22425465
   0.33201908  0.67141223  0.45222743
   0.07734511  0.65679923  0.40531494
   0.17923439  0.53748932  0.57248234
   0.32338378  0.73846204  0.76445956
   0.14901984  0.78620835  0.56019338
   0.38845399  1.01299587  0.80237027
   0.44377159  0.93801314  0.63146301
   0.16761477  0.95713673  0.69979650
   0.27847649  0.70483035 -0.05197967
   0.02288547  0.64727421  0.91129616
   0.60103270  0.07363744  0.11529724
   0.83068265  0.20410018  0.25688199
   0.61201982  0.31902565  0.03795672
   0.95190517  0.42607306  0.35030650
   0.02031349  0.37158319  0.18464622
   0.74814015  0.43141257  0.16272067
   0.75485103  0.20131606  0.42586567
   0.51630588  0.10544591  0.42815508
   0.67065589  0.07617195  0.58685251
   0.81217295  0.20926951  0.79901096
   0.58123250  0.32382759  0.54533158
   0.86233966  0.44853888  0.85841838
   0.96480995  0.42281987  0.65607003
   0.69737003  0.41415993  0.70364951
   0.79676258  0.10757894  0.98368252
   0.53178846  0.13497103  0.93241274
   0.56943826  0.57728793  0.06848256
   0.84827240  0.68089504  0.29653351
   0.60733853  0.83333067  0.04043177
   0.84850344  0.96157941  0.33625625
   0.90863024  0.83943588  0.16479520
   0.65971099  0.84569637  0.22221162
   0.83200099  0.58441952  0.46382571
   0.56557671  0.54542879  0.39260719
   0.62034356  0.59341449  0.57690897
   0.81901252  0.69431826  0.79505970
   0.65510903  0.77968190  0.42641930
   0.88151942  0.94840108  0.84778704
   0.92856155  0.84022301  0.66992475
   0.67957247  0.92945858  0.74113978
   0.77465687  0.64001228  0.97656278
   0.52067472  0.67511368  0.89644579
   0.67131190  0.82255144  0.58350065
   0.68084904  0.86808313  0.45863627
   0.86499619  0.25361019  0.09093289
   1.03552114  0.41493180  0.30823703
   0.30714496  0.15246113  0.63660634
   0.30280368  0.70303178  0.70149446
  -0.01575084  1.10217341  0.11311875
   0.19832593  1.09733553  0.04341338
   0.62869387  0.37396527  0.87957618
   0.90260855  0.46497502  0.61054659
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877294    0.521941   -0.028688
    -0.000000    9.737159    0.004912
    -0.000000    0.000000   14.138905
   Si   O    H 
    32    64    10
Direct configuration=  1339
   0.15349475  0.19368803 -0.03609272
   0.36394731  0.09217572  0.37788677
   0.12749110  0.41511447  0.10273640
   0.36386771  0.33782906  0.24476124
   0.09526926  0.14485515  0.48820352
   0.42038568  0.15839935  0.85640382
   0.11777823  0.40607724  0.61738469
   0.35233833  0.40513136  0.74858298
   0.12571753  0.69928834 -0.00213653
   0.40959013  0.58705658  0.36714812
   0.05651502  0.90068209  0.15678004
   0.34230484  0.84313089  0.24569683
   0.18107808  0.65991211  0.49271083
   0.37220888  0.65227191  0.85503904
   0.06470830  0.90517373  0.62370001
   0.32637079  1.01793153  0.69918350
   0.64435065  0.15537333  1.01765654
   0.86625204  0.12653339  0.35313151
   0.59949777  0.43162905  0.11853310
   0.86045905  0.31915615  0.17803674
   0.62350000  0.16958144  0.49504179
   0.87566540  0.10272491  0.88215805
   0.58855735  0.44916547  0.61881742
   0.74325831  0.36813963  0.81233028
   0.61484973  0.68581973 -0.00829067
   0.93411587  0.59184753  0.37271400
   0.57526443  0.91315261  0.13594181
   0.81816020  0.83511293  0.25885865
   0.67291345  0.62356951  0.47096231
   0.86884021  0.60806009  0.88782747
   0.61040700  0.93675074  0.63520141
   0.82714761  0.85120085  0.75978870
   0.05422025  0.06935655  0.16606830
   0.33422162  0.18691533  0.28007052
   0.09763436  0.34414520  0.00256778
   0.33494756  0.44146709  0.33216469
   0.51402553  0.36895868  0.20752421
   0.27620753  0.38095781  0.14771237
   0.25064817  0.09205650  0.46369297
   0.01108290  0.15143924  0.38888331
   0.02013810  0.03377028  0.55492957
   0.45644922  0.26688720  0.77328452
   0.12570801  0.27097529  0.55230211
   0.34828938  0.48881600  0.84570096
   0.43764619  0.47580279  0.66264926
   0.19625859  0.37352900  0.72504916
   0.28468568  0.23399879 -0.09569784
   0.03348696  0.14294203  0.89424089
   0.12399278  0.57975340  0.07604556
   0.40296426  0.68860477  0.27615390
   0.09121838  0.85350605  0.04191898
   0.35822750  0.93680502  0.33760043
   0.39656166  0.91749464  0.15188658
   0.17997970  0.83209046  0.22343854
   0.33204020  0.66906137  0.45115265
   0.07675955  0.65707075  0.40509099
   0.17745810  0.53787371  0.57188161
   0.32409351  0.73804671  0.76399139
   0.14952901  0.78555863  0.56010765
   0.38818749  1.01323531  0.80345834
   0.44462854  0.93721189  0.63118330
   0.16908204  0.95676366  0.69940594
   0.27830693  0.70636497 -0.05198827
   0.02235221  0.64793139  0.91053896
   0.60134749  0.07470993  0.11565153
   0.82957004  0.20418562  0.25690282
   0.61100994  0.31897284  0.03845219
   0.95263534  0.42597102  0.35171010
   0.02042663  0.37206673  0.18342201
   0.74971994  0.43260026  0.16204665
   0.75873803  0.20160091  0.42686540
   0.51415044  0.10528293  0.42747980
   0.67000776  0.07470554  0.58648318
   0.81138187  0.20965697  0.79981822
   0.58096470  0.32543523  0.54565037
   0.86296139  0.44914425  0.85751057
   0.96555289  0.42340185  0.65664436
   0.69641297  0.41601038  0.70331160
   0.79649753  0.10753254  0.98322930
   0.53088966  0.13411230  0.93167573
   0.57035033  0.58009719  0.06883306
   0.84896327  0.68213238  0.29785522
   0.60642893  0.83530922  0.04162600
   0.85009225  0.96168156  0.33572940
   0.90996682  0.83902562  0.16481805
   0.65860033  0.84503787  0.22207083
   0.83223195  0.58557003  0.46401390
   0.56563662  0.54650730  0.39287335
   0.62062859  0.59262213  0.57533224
   0.82032388  0.69471414  0.79499112
   0.65599694  0.78000360  0.42777869
   0.88049517  0.94951298  0.84831194
   0.93035456  0.83965397  0.67019244
   0.67839003  0.92853807  0.74140078
   0.77444189  0.64148297  0.97545880
   0.52087326  0.67254103  0.89578768
   0.66611573  0.82018251  0.58230410
   0.67971985  0.86201065  0.45659401
   0.86699371  0.25584216  0.08575798
   1.03352562  0.41412149  0.30348761
   0.30956208  0.14855329  0.63620437
   0.30532822  0.69894668  0.70135217
  -0.00969965  1.10720184  0.11163702
   0.19286626  1.09973441  0.04242789
   0.63585280  0.36672077  0.88021978
   0.89688790  0.46431153  0.61473928
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879279    0.520450   -0.030956
    -0.000000    9.735019    0.000983
    -0.000000    0.000000   14.136954
   Si   O    H 
    32    64    10
Direct configuration=  1340
   0.15389222  0.19372241 -0.03636973
   0.36374608  0.09126454  0.37787509
   0.12662145  0.41383588  0.10385402
   0.36410619  0.33710745  0.24383348
   0.09554225  0.14515134  0.48877785
   0.41957122  0.15823020  0.85587906
   0.11971556  0.40560065  0.61687097
   0.35204747  0.40337917  0.74810767
   0.12568866  0.70012246 -0.00327213
   0.40862732  0.58841258  0.36687490
   0.05729356  0.90091589  0.15703965
   0.34143550  0.84390556  0.24584813
   0.18108593  0.66056072  0.49258503
   0.37262573  0.65193450  0.85388892
   0.06366009  0.90376480  0.62426713
   0.32493951  1.01989472  0.70026547
   0.64468596  0.15456453  1.01796195
   0.86565159  0.12544051  0.35302720
   0.59914093  0.43063839  0.11886899
   0.86079883  0.32020986  0.17866596
   0.62364972  0.16980163  0.49478806
   0.87574422  0.10193685  0.88122872
   0.58876533  0.44859411  0.61928038
   0.74408829  0.36728353  0.81247355
   0.61486618  0.68615076 -0.00919752
   0.93510457  0.59239233  0.37273571
   0.57502883  0.91313348  0.13588087
   0.81909682  0.83438034  0.25924884
   0.67262602  0.62396916  0.47170359
   0.86951015  0.60866405  0.88794735
   0.61131536  0.93629514  0.63418735
   0.82728587  0.85099255  0.76085814
   0.05350835  0.07097545  0.16494701
   0.33553515  0.18689278  0.28106598
   0.09955546  0.34388004  0.00286195
   0.33373087  0.43954305  0.33187772
   0.51453317  0.36861225  0.20682435
   0.27575037  0.38296242  0.14676377
   0.25030103  0.09266592  0.46449807
   0.01167316  0.15110121  0.38921920
   0.01899032  0.03217779  0.55446832
   0.45806337  0.26632128  0.77316222
   0.12626256  0.27185731  0.55207673
   0.34804375  0.48695328  0.84506414
   0.43817394  0.47601428  0.66205192
   0.19629352  0.37238151  0.72486437
   0.28534023  0.23441959 -0.09531814
   0.03268031  0.14240072  0.89380449
   0.12470120  0.57893408  0.07685259
   0.40408070  0.69137727  0.27611335
   0.09258648  0.85363075  0.04171857
   0.36045505  0.93564797  0.33855018
   0.39774621  0.91597123  0.15238166
   0.17846542  0.83164375  0.22283915
   0.33199035  0.66634036  0.45028661
   0.07636886  0.65829665  0.40482900
   0.17625045  0.53915961  0.57091880
   0.32436071  0.73677138  0.76344100
   0.14922482  0.78559066  0.55971626
   0.38742099  1.01434513  0.80453034
   0.44535299  0.93689027  0.63096001
   0.17150850  0.95656879  0.69867780
   0.27886887  0.70719993 -0.05197645
   0.02179127  0.64815628  0.90955107
   0.60130368  0.07622469  0.11595414
   0.82833393  0.20536764  0.25645091
   0.61116975  0.31940711  0.03884150
   0.95351687  0.42560913  0.35218983
   0.02001023  0.37258443  0.18207307
   0.75083829  0.43492939  0.16090217
   0.76214596  0.20142996  0.42808814
   0.51166579  0.10548003  0.42623047
   0.66959359  0.07254558  0.58607625
   0.81112721  0.21045344  0.80035164
   0.58031661  0.32733193  0.54600309
   0.86361648  0.44847089  0.85736482
   0.96642942  0.42449618  0.65732913
   0.69571778  0.41820878  0.70267159
   0.79544256  0.10792934  0.98276183
   0.53103429  0.13299665  0.93176347
   0.57015225  0.58304887  0.06958073
   0.85032430  0.68244188  0.29924524
   0.60545236  0.83686015  0.04222000
   0.85125441  0.96097251  0.33490728
   0.91090956  0.83773994  0.16497297
   0.65738946  0.84465419  0.22215982
   0.83200463  0.58551585  0.46453488
   0.56622962  0.54688553  0.39311985
   0.62171585  0.59175162  0.57352496
   0.82164145  0.69536138  0.79495277
   0.65659198  0.78055613  0.42883191
   0.88024308  0.95004229  0.84865222
   0.93253613  0.83972453  0.67041614
   0.67694005  0.92757197  0.74181596
   0.77405344  0.64331555  0.97454050
   0.52124196  0.67091193  0.89531224
   0.66560814  0.82044052  0.58219318
   0.67802820  0.86126985  0.45612631
   0.87014828  0.25156490  0.07999646
   1.02806091  0.41082313  0.30108858
   0.31180256  0.13878796  0.63949929
   0.30941285  0.69657893  0.70479425
   0.00138366  1.10886611  0.11946768
   0.19282090  1.10236462  0.04075647
   0.64157344  0.36295534  0.88226730
   0.88950758  0.46199372  0.61613754
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881465    0.519362   -0.033360
    -0.000000    9.732710   -0.002915
    -0.000000    0.000000   14.135384
   Si   O    H 
    32    64    10
Direct configuration=  1341
   0.15386278  0.19411531 -0.03659261
   0.36314122  0.09079518  0.37765468
   0.12565084  0.41242243  0.10487644
   0.36395892  0.33676476  0.24309139
   0.09584549  0.14473220  0.48995756
   0.41890700  0.15781783  0.85585026
   0.12140938  0.40504613  0.61692780
   0.35279995  0.40166355  0.74769696
   0.12652912  0.70086981 -0.00469606
   0.40811024  0.59010326  0.36636861
   0.05816243  0.90165851  0.15705610
   0.34078476  0.84494268  0.24587363
   0.18158695  0.66151930  0.49212181
   0.37247374  0.65199263  0.85317265
   0.06270848  0.90254912  0.62483530
   0.32309211  1.02111830  0.70042951
   0.64436425  0.15307689  1.01834466
   0.86458800  0.12443416  0.35315516
   0.59867932  0.43041503  0.11908519
   0.86170832  0.32102070  0.17859380
   0.62391659  0.17031861  0.49460726
   0.87546287  0.10123273  0.88016433
   0.58898406  0.44767734  0.61979852
   0.74482818  0.36689014  0.81248180
   0.61450505  0.68606158 -0.01007973
   0.93593245  0.59289647  0.37284852
   0.57503562  0.91367171  0.13571167
   0.81980177  0.83370624  0.25945832
   0.67221189  0.62455622  0.47197198
   0.87053615  0.60886281  0.88851003
   0.61206992  0.93584716  0.63315192
   0.82747426  0.85048702  0.76200683
   0.05302954  0.07073019  0.16466955
   0.33653251  0.18623648  0.28172616
   0.10140434  0.34271473  0.00384535
   0.33278772  0.43783622  0.33201960
   0.51541288  0.36848428  0.20570495
   0.27514598  0.38382322  0.14542889
   0.25121604  0.09298500  0.46481475
   0.01300661  0.15146164  0.38968164
   0.01793669  0.03105141  0.55397276
   0.45909675  0.26519365  0.77261634
   0.12670714  0.27270585  0.55197227
   0.34812582  0.48550215  0.84461388
   0.43833181  0.47624939  0.66188762
   0.19567148  0.37116705  0.72445666
   0.28598479  0.23412193 -0.09535516
   0.03205773  0.14128751  0.89367439
   0.12528375  0.57794473  0.07791454
   0.40369770  0.69391639  0.27607015
   0.09333562  0.85383337  0.04219421
   0.36233384  0.93549718  0.33874476
   0.39977198  0.91427799  0.15252920
   0.17633665  0.83116532  0.22308229
   0.33161641  0.66345012  0.45037839
   0.07663712  0.66093520  0.40466963
   0.17540849  0.54065602  0.56951952
   0.32486450  0.73622190  0.76282110
   0.14794674  0.78617528  0.56003613
   0.38707053  1.01531577  0.80587092
   0.44624459  0.93639588  0.63074519
   0.17450288  0.95692434  0.69858539
   0.27945256  0.70648555 -0.05213177
   0.02183095  0.64804852  0.90959230
   0.60147739  0.07817141  0.11583054
   0.82765291  0.20699909  0.25537716
   0.61187755  0.31892895  0.03874419
   0.95602286  0.42550052  0.35287501
   0.01926331  0.37273216  0.18105663
   0.75225942  0.43758907  0.16029059
   0.76503646  0.20078417  0.42915244
   0.50923132  0.10601876  0.42502559
   0.66935748  0.07110376  0.58571347
   0.81047287  0.21182482  0.80113465
   0.57990419  0.32806655  0.54622529
   0.86444025  0.44686579  0.85757724
   0.96718980  0.42564026  0.65762923
   0.69585813  0.42025351  0.70222569
   0.79405345  0.10782145  0.98236476
   0.53105678  0.13135560  0.93193867
   0.57009902  0.58515551  0.07053227
   0.85130843  0.68216207  0.30052347
   0.60437678  0.83752812  0.04240764
   0.85213566  0.96017780  0.33393378
   0.91214170  0.83672799  0.16476725
   0.65605751  0.84484781  0.22252805
   0.83205813  0.58468789  0.46521575
   0.56705999  0.54709914  0.39331550
   0.62231917  0.59125400  0.57199291
   0.82231286  0.69626555  0.79471626
   0.65660025  0.78042979  0.42970369
   0.88028227  0.94996354  0.84810039
   0.93522210  0.83926911  0.67081393
   0.67567332  0.92655011  0.74216288
   0.77340145  0.64488207  0.97321535
   0.52224462  0.67080236  0.89518797
   0.66866280  0.81969631  0.58282820
   0.67885437  0.87026905  0.46179217
   0.87312470  0.24654644  0.07904605
   1.01667379  0.40794939  0.30054657
   0.31085437  0.13095766  0.64496287
   0.31132152  0.69460810  0.70312543
   0.00008675  1.12383644  0.11914531
   0.19346895  1.10074261  0.03785596
   0.64166231  0.35946002  0.88949174
   0.88601752  0.45789068  0.62029497
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883872    0.518054   -0.035404
    -0.000000    9.730984   -0.006722
    -0.000000    0.000000   14.133827
   Si   O    H 
    32    64    10
Direct configuration=  1342
   0.15435029  0.19412542 -0.03733547
   0.36255925  0.08969364  0.37745838
   0.12422714  0.41171990  0.10544349
   0.36389543  0.33660531  0.24210493
   0.09550969  0.14430156  0.49136723
   0.41798012  0.15778771  0.85576958
   0.12299976  0.40459282  0.61704085
   0.35373224  0.40002012  0.74750181
   0.12734895  0.70145636 -0.00623518
   0.40800569  0.59173803  0.36551597
   0.05929373  0.90246004  0.15631491
   0.34037743  0.84580771  0.24572683
   0.18254984  0.66167235  0.49162524
   0.37205794  0.65191882  0.85235366
   0.06187818  0.90112780  0.62562650
   0.32212049  1.02121698  0.70056828
   0.64412110  0.15156500  1.01884384
   0.86347294  0.12336844  0.35326221
   0.59841392  0.42984811  0.11928014
   0.86355730  0.32196715  0.17798845
   0.62469684  0.17075567  0.49471364
   0.87581350  0.10115033  0.87916842
   0.58931551  0.44646455  0.62092759
   0.74578687  0.36661679  0.81218043
   0.61429990  0.68588977 -0.01086906
   0.93666450  0.59338576  0.37349682
   0.57419985  0.91420750  0.13554902
   0.81997527  0.83357613  0.25973251
   0.67164919  0.62482979  0.47203840
   0.87132139  0.60862482  0.88859216
   0.61255770  0.93646362  0.63195869
   0.82783827  0.85009203  0.76323848
   0.05328728  0.06979577  0.16492210
   0.33775186  0.18568546  0.28194799
   0.10344220  0.34228510  0.00441137
   0.33226326  0.43707826  0.33260234
   0.51649463  0.36858752  0.20461141
   0.27461298  0.38435367  0.14494211
   0.25176718  0.09379923  0.46513388
   0.01483991  0.15184512  0.39034937
   0.01673989  0.02946164  0.55343330
   0.45943302  0.26472631  0.77202122
   0.12757758  0.27295160  0.55166701
   0.34773275  0.48507862  0.84410381
   0.43768428  0.47676225  0.66180992
   0.19537581  0.37065171  0.72413764
   0.28729372  0.23306252 -0.09575186
   0.03182276  0.14088649  0.89369998
   0.12514449  0.57791581  0.07881741
   0.40411428  0.69559879  0.27594427
   0.09334212  0.85459551  0.04304938
   0.36385036  0.93540707  0.33936124
   0.40230147  0.91276279  0.15246214
   0.17412424  0.83097660  0.22393581
   0.33131969  0.66154894  0.45109067
   0.07689050  0.66281901  0.40457575
   0.17420098  0.54243240  0.56733781
   0.32586865  0.73490042  0.76204230
   0.14666134  0.78625343  0.55997400
   0.38599633  1.01583872  0.80696905
   0.44717920  0.93649804  0.63069684
   0.17728394  0.95780195  0.69804409
   0.27962721  0.70564009 -0.05230020
   0.02280256  0.64703286  0.90968144
   0.60174080  0.07968467  0.11607913
   0.82713663  0.20859434  0.25485744
   0.61250657  0.31878284  0.03849848
   0.95797446  0.42597626  0.35341690
   0.01835923  0.37304911  0.18041596
   0.75331892  0.44115712  0.15971812
   0.76706828  0.20068476  0.43048259
   0.50618095  0.10638060  0.42380985
   0.66883232  0.06893413  0.58507618
   0.81035047  0.21283877  0.80171187
   0.57978540  0.32799117  0.54592358
   0.86555563  0.44533131  0.85846952
   0.96718888  0.42668794  0.65800640
   0.69668089  0.42203984  0.70271659
   0.79200405  0.10833347  0.98194136
   0.53192166  0.12886662  0.93251226
   0.56997350  0.58575747  0.07187697
   0.85229460  0.68277363  0.30202865
   0.60304990  0.83747502  0.04227733
   0.85266665  0.95915526  0.33279452
   0.91325645  0.83662803  0.16508493
   0.65478619  0.84432227  0.22298523
   0.83236660  0.58339820  0.46539552
   0.56805985  0.54764044  0.39376975
   0.62231200  0.59159535  0.57113067
   0.82252913  0.69704520  0.79451871
   0.65696624  0.77965343  0.43049887
   0.87999111  0.94994294  0.84715064
   0.93759322  0.83869041  0.67082459
   0.67420961  0.92512520  0.74242395
   0.77330548  0.64624062  0.97254922
   0.52425174  0.67091570  0.89505084
   0.67048976  0.81657236  0.58247231
   0.67826963  0.86854995  0.46449773
   0.87626643  0.24330279  0.08204544
   1.01214134  0.40253541  0.29760840
   0.30662868  0.14002748  0.64583289
   0.31260909  0.69300246  0.69872688
  -0.00402070  1.14189771  0.11773259
   0.19250866  1.09898630  0.03810830
   0.64188970  0.35818422  0.89467250
   0.89113960  0.45396842  0.62494968
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885531    0.516640   -0.037486
    -0.000000    9.728996   -0.009548
    -0.000000    0.000000   14.132226
   Si   O    H 
    32    64    10
Direct configuration=  1343
   0.15516074  0.19395013 -0.03841693
   0.36230653  0.08946965  0.37700063
   0.12347277  0.41169619  0.10596701
   0.36368370  0.33637383  0.24099982
   0.09501874  0.14380085  0.49255826
   0.41743697  0.15754062  0.85575439
   0.12394602  0.40447172  0.61773147
   0.35415640  0.39844656  0.74696110
   0.12842008  0.70229420 -0.00767368
   0.40849346  0.59269623  0.36430798
   0.06026906  0.90278404  0.15558243
   0.34000757  0.84648289  0.24553399
   0.18282499  0.66199444  0.49136848
   0.37197580  0.65030282  0.85202908
   0.06157930  0.90038162  0.62658305
   0.32130368  1.02095007  0.70037256
   0.64333461  0.14995370  1.01918150
   0.86240007  0.12275532  0.35340323
   0.59851676  0.42936668  0.11972792
   0.86513284  0.32298206  0.17707702
   0.62476814  0.17153515  0.49494009
   0.87607005  0.10094747  0.87823851
   0.59017581  0.44585000  0.62207430
   0.74618689  0.36632537  0.81205248
   0.61372534  0.68606134 -0.01159178
   0.93703327  0.59405060  0.37471181
   0.57354970  0.91472978  0.13516379
   0.81944780  0.83417955  0.25978239
   0.67085049  0.62501979  0.47178857
   0.87178236  0.60824953  0.88875180
   0.61341350  0.93670323  0.63120432
   0.82823335  0.85019576  0.76382419
   0.05286518  0.06947573  0.16494808
   0.33863224  0.18467020  0.28194001
   0.10515158  0.34158315  0.00444052
   0.33131214  0.43732381  0.33349783
   0.51762612  0.36883761  0.20343058
   0.27435023  0.38467978  0.14406488
   0.25274434  0.09505661  0.46484812
   0.01633248  0.15255647  0.39102007
   0.01523968  0.02837350  0.55307497
   0.45962315  0.26443689  0.77179131
   0.12837761  0.27328745  0.55119995
   0.34716003  0.48619365  0.84379489
   0.43795829  0.47773006  0.66209583
   0.19503706  0.37062803  0.72357826
   0.28874811  0.23130541 -0.09656749
   0.03169054  0.14040964  0.89345716
   0.12569309  0.57789792  0.07965670
   0.40424192  0.69751003  0.27563496
   0.09260489  0.85478920  0.04374213
   0.36416790  0.93547535  0.33959711
   0.40555969  0.91133658  0.15210348
   0.17186146  0.83147902  0.22496064
   0.33100902  0.65994299  0.45202853
   0.07684589  0.66473596  0.40439403
   0.17356659  0.54414775  0.56591352
   0.32674469  0.73408006  0.76072975
   0.14588389  0.78689050  0.56012616
   0.38457079  1.01584045  0.80789271
   0.44792362  0.93604989  0.63028827
   0.17985494  0.95855806  0.69740070
   0.27910308  0.70502077 -0.05243797
   0.02386276  0.64615151  0.90999057
   0.60172338  0.08033120  0.11638005
   0.82692063  0.20967845  0.25424421
   0.61308953  0.31863589  0.03759659
   0.95953063  0.42654354  0.35414826
   0.01748758  0.37406602  0.18030378
   0.75435111  0.44475352  0.15915040
   0.76886001  0.20015457  0.43201663
   0.50378440  0.10698118  0.42338641
   0.66795457  0.06842129  0.58369282
   0.81019582  0.21288569  0.80246718
   0.57922546  0.32683672  0.54549177
   0.86663772  0.44411436  0.85950987
   0.96798605  0.42693729  0.65882154
   0.69808667  0.42426081  0.70312350
   0.79124431  0.10897946  0.98108500
   0.53328403  0.12640269  0.93303270
   0.56982241  0.58537538  0.07357497
   0.85274699  0.68282537  0.30338644
   0.60224745  0.83645998  0.04118423
   0.85279729  0.95822599  0.33241877
   0.91418708  0.83637206  0.16581687
   0.65475637  0.84411426  0.22352104
   0.83240972  0.58164527  0.46615973
   0.56926343  0.54787308  0.39398594
   0.62153768  0.59162198  0.57079972
   0.82342580  0.69814249  0.79439107
   0.65678425  0.77932413  0.43136333
   0.88023466  0.94914955  0.84592712
   0.93843017  0.83808232  0.67131449
   0.67292060  0.92396413  0.74189987
   0.77288441  0.64773784  0.97235897
   0.52612737  0.67165273  0.89457127
   0.67368553  0.81499203  0.58478783
   0.67226435  0.85388852  0.46219387
   0.87935179  0.24348969  0.08847919
   1.01216450  0.39897003  0.29399597
   0.30323192  0.15321224  0.64368214
   0.31318759  0.69532274  0.69813090
  -0.00166880  1.14965640  0.12171003
   0.19370605  1.09276033  0.03679051
   0.64221428  0.36050673  0.89497237
   0.88517245  0.45544295  0.62419378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887217    0.515414   -0.039364
    -0.000000    9.727637   -0.012005
    -0.000000    0.000000   14.130328
   Si   O    H 
    32    64    10
Direct configuration=  1344
   0.15506496  0.19430071 -0.03968973
   0.36161701  0.08926856  0.37647105
   0.12370858  0.41194225  0.10609569
   0.36392137  0.33641470  0.23953217
   0.09490784  0.14285733  0.49355112
   0.41722708  0.15795522  0.85568364
   0.12456398  0.40465910  0.61834771
   0.35476759  0.39691469  0.74600671
   0.13015393  0.70310935 -0.00867418
   0.40920469  0.59309149  0.36290813
   0.06073048  0.90238464  0.15519419
   0.33888125  0.84691280  0.24516958
   0.18267957  0.66267628  0.49132753
   0.37164918  0.64915033  0.85178453
   0.06151322  0.90023461  0.62701383
   0.32048068  1.02031692  0.69985047
   0.64197727  0.14824366  1.01932676
   0.86173792  0.12300489  0.35290986
   0.59818412  0.42945006  0.11997406
   0.86629729  0.32319245  0.17628977
   0.62573116  0.17250728  0.49495864
   0.87638677  0.10142433  0.87777191
   0.59024022  0.44583555  0.62282941
   0.74645178  0.36598570  0.81187570
   0.61289153  0.68590574 -0.01174618
   0.93674495  0.59375351  0.37617194
   0.57199477  0.91555362  0.13528683
   0.81877761  0.83507519  0.26008514
   0.67004623  0.62481169  0.47134741
   0.87273918  0.60739314  0.88841174
   0.61378664  0.93707559  0.63128745
   0.82875106  0.85075360  0.76407580
   0.05254548  0.07024070  0.16457426
   0.33923425  0.18368922  0.28223601
   0.10659433  0.34082867  0.00470641
   0.33059219  0.43771350  0.33447227
   0.51778506  0.36918850  0.20280562
   0.27427636  0.38487763  0.14358641
   0.25387613  0.09649485  0.46477745
   0.01773705  0.15330869  0.39203335
   0.01366468  0.02776836  0.55300661
   0.45970436  0.26478462  0.77154110
   0.12843764  0.27359977  0.55152542
   0.34680955  0.48755679  0.84327393
   0.43818730  0.47857827  0.66228406
   0.19442675  0.37082060  0.72295330
   0.28985661  0.22942781 -0.09717745
   0.03232559  0.14001807  0.89336055
   0.12534016  0.57888913  0.08051780
   0.40395654  0.69832643  0.27518634
   0.09249573  0.85453021  0.04452159
   0.36494851  0.93599280  0.34049705
   0.40961388  0.90964341  0.15188400
   0.17043739  0.83147058  0.22563389
   0.33149178  0.65896174  0.45354817
   0.07724610  0.66573834  0.40420454
   0.17225369  0.54373174  0.56431261
   0.32776775  0.73327281  0.75969788
   0.14543261  0.78871592  0.55979580
   0.38355284  1.01584942  0.80873018
   0.44835132  0.93630426  0.63059823
   0.18211358  0.95926493  0.69682840
   0.27914873  0.70445233 -0.05292367
   0.02564498  0.64579860  0.91019144
   0.60116696  0.08109461  0.11680692
   0.82626274  0.21028242  0.25425431
   0.61364750  0.31695118  0.03631615
   0.96183974  0.42782795  0.35478493
   0.01672818  0.37509994  0.18025407
   0.75461090  0.44799898  0.15842943
   0.77072373  0.19853277  0.43412043
   0.50189604  0.10864403  0.42337863
   0.66713766  0.06857984  0.58212441
   0.80998757  0.21281265  0.80301721
   0.57907273  0.32563089  0.54507085
   0.86793877  0.44311766  0.86073550
   0.96885352  0.42793912  0.65958356
   0.69926968  0.42609635  0.70391999
   0.79116012  0.10928044  0.98031392
   0.53472284  0.12331685  0.93262781
   0.56918451  0.58503777  0.07517627
   0.85236164  0.68331944  0.30449968
   0.60268529  0.83554498  0.03897466
   0.85233987  0.95732877  0.33213200
   0.91480114  0.83561617  0.16668511
   0.65489974  0.84360765  0.22432571
   0.83297114  0.58065860  0.46637179
   0.57049538  0.54800280  0.39437183
   0.62085626  0.59099606  0.57098347
   0.82422495  0.69839519  0.79415327
   0.65532276  0.77797575  0.43137253
   0.88088468  0.94803392  0.84481135
   0.93828918  0.83774516  0.67241813
   0.67251369  0.92224728  0.74124462
   0.77312666  0.64919232  0.97219494
   0.52781513  0.67244137  0.89364174
   0.67702894  0.81043757  0.58708646
   0.66915406  0.85987119  0.46830891
   0.88316998  0.24380854  0.09531718
   1.01120172  0.39597515  0.29654226
   0.29984182  0.15917222  0.64429965
   0.31373448  0.70165332  0.69717707
   0.00777127  1.14442837  0.12952322
   0.19564244  1.08697356  0.03597789
   0.64538789  0.36308068  0.89135903
   0.88202279  0.45282991  0.62298701
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888839    0.514489   -0.041652
    -0.000000    9.725777   -0.014349
    -0.000000    0.000000   14.128603
   Si   O    H 
    32    64    10
Direct configuration=  1345
   0.15472800  0.19434472 -0.04066261
   0.36030663  0.08882077  0.37647428
   0.12428006  0.41255382  0.10593860
   0.36407950  0.33646946  0.23838576
   0.09484024  0.14155964  0.49439452
   0.41723155  0.15820527  0.85569397
   0.12529577  0.40481031  0.61868253
   0.35590753  0.39527752  0.74501338
   0.13177599  0.70354397 -0.00909295
   0.41036614  0.59333630  0.36169824
   0.06094403  0.90247180  0.15454395
   0.33755713  0.84742233  0.24496759
   0.18166523  0.66348090  0.49090760
   0.37099160  0.64869436  0.85182709
   0.06212399  0.90041826  0.62752418
   0.32057514  1.02003070  0.69921188
   0.64036083  0.14735366  1.01912603
   0.86123111  0.12345403  0.35243929
   0.59778759  0.42974551  0.11988166
   0.86705486  0.32397299  0.17509970
   0.62648520  0.17333301  0.49450932
   0.87731168  0.10232428  0.87733222
   0.58934313  0.44575518  0.62302139
   0.74617471  0.36571663  0.81191633
   0.61183132  0.68585971 -0.01177612
   0.93621425  0.59261467  0.37784061
   0.57042404  0.91637924  0.13583915
   0.81796129  0.83584832  0.26009876
   0.66942385  0.62396845  0.47047669
   0.87349796  0.60626584  0.88838138
   0.61432495  0.93654394  0.63151729
   0.82926842  0.85169630  0.76383057
   0.05284872  0.07092460  0.16481964
   0.33978548  0.18328091  0.28246041
   0.10780293  0.34015665  0.00456336
   0.32912495  0.43800826  0.33556502
   0.51673208  0.36884729  0.20205544
   0.27533446  0.38485220  0.14334043
   0.25482104  0.09735936  0.46473865
   0.01882123  0.15365344  0.39272563
   0.01213692  0.02682662  0.55335896
   0.46039821  0.26460990  0.77145360
   0.12877508  0.27368145  0.55171465
   0.34644908  0.48859660  0.84200651
   0.43747496  0.47996324  0.66262714
   0.19441956  0.37041192  0.72201870
   0.28993457  0.22763015 -0.09776935
   0.03477719  0.13939304  0.89339692
   0.12529011  0.58030360  0.08144004
   0.40335174  0.69793405  0.27466347
   0.09222729  0.85433520  0.04527870
   0.36547176  0.93588635  0.34153973
   0.41345409  0.90778597  0.15180213
   0.17001236  0.83118580  0.22604854
   0.33229544  0.65708142  0.45503279
   0.07756957  0.66678041  0.40367316
   0.17050618  0.54260925  0.56314109
   0.32823961  0.73384676  0.75865819
   0.14443017  0.79081435  0.55943739
   0.38268801  1.01494723  0.80908505
   0.44862700  0.93706496  0.63104931
   0.18259823  0.96021376  0.69614557
   0.28022583  0.70477484 -0.05377285
   0.02715896  0.64580506  0.91020348
   0.60056265  0.08185912  0.11735587
   0.82628985  0.21052863  0.25437628
   0.61402592  0.31476488  0.03499823
   0.96286909  0.42858930  0.35538271
   0.01575262  0.37612553  0.18041565
   0.75495735  0.45071547  0.15795046
   0.77199645  0.19699836  0.43649406
   0.50050736  0.11044034  0.42381880
   0.66653198  0.06911675  0.58010926
   0.80945768  0.21201416  0.80371940
   0.57904470  0.32393109  0.54451912
   0.86871360  0.44288934  0.86114177
   0.96891389  0.42871075  0.66013202
   0.70016976  0.42693861  0.70487170
   0.79101824  0.10990170  0.97960951
   0.53663573  0.12124305  0.93207306
   0.56811945  0.58466117  0.07679720
   0.85193137  0.68550630  0.30450659
   0.60263026  0.83496007  0.03665691
   0.85168244  0.95679811  0.33225235
   0.91627771  0.83553878  0.16740934
   0.65573457  0.84449504  0.22435831
   0.83280758  0.57984332  0.46686283
   0.57125579  0.54848266  0.39436900
   0.62022208  0.59007136  0.57198287
   0.82475227  0.69765485  0.79426095
   0.65339455  0.77653327  0.43101740
   0.88201978  0.94620669  0.84371510
   0.93731299  0.83679890  0.67361568
   0.67253906  0.92041237  0.74102272
   0.77367459  0.64948194  0.97218106
   0.52942554  0.67322203  0.89220586
   0.68278986  0.80526013  0.59097995
   0.67120059  0.86229401  0.47404640
   0.88528898  0.23970690  0.09738153
   1.01040453  0.39385211  0.30144971
   0.29898267  0.15962820  0.64578672
   0.31354961  0.70428028  0.69391781
   0.01664528  1.13741180  0.13727609
   0.19547652  1.08681715  0.03443269
   0.64626813  0.36698102  0.88536596
   0.88809147  0.44947352  0.62643563
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890571    0.513548   -0.044042
    -0.000000    9.723887   -0.015917
    -0.000000    0.000000   14.127030
   Si   O    H 
    32    64    10
Direct configuration=  1346
   0.15409984  0.19462375 -0.04124398
   0.35899705  0.08849549  0.37679778
   0.12486502  0.41354506  0.10564776
   0.36361280  0.33690043  0.23711172
   0.09477529  0.14033152  0.49509277
   0.41733584  0.15806415  0.85595863
   0.12575919  0.40485331  0.61895941
   0.35626187  0.39400802  0.74478978
   0.13300725  0.70367456 -0.00930955
   0.41211831  0.59343456  0.36083499
   0.06082284  0.90254950  0.15408934
   0.33581362  0.84849534  0.24446222
   0.18133459  0.66382687  0.49081762
   0.37076270  0.64794715  0.85202884
   0.06248015  0.90086523  0.62780290
   0.32166297  1.01998807  0.69839952
   0.63782549  0.14699614  1.01896834
   0.86175626  0.12408906  0.35186817
   0.59770447  0.42998843  0.11963127
   0.86714614  0.32478637  0.17405385
   0.62639358  0.17463229  0.49404496
   0.87889713  0.10305563  0.87759794
   0.58884559  0.44625494  0.62330306
   0.74574176  0.36469807  0.81161763
   0.61118961  0.68608554 -0.01153452
   0.93608234  0.59160878  0.37954140
   0.56939014  0.91728827  0.13623674
   0.81648645  0.83622151  0.25964526
   0.66931930  0.62292170  0.46933727
   0.87420610  0.60552782  0.88824515
   0.61497441  0.93485912  0.63155768
   0.82914460  0.85323494  0.76314167
   0.05343372  0.06922099  0.16597694
   0.34023136  0.18283441  0.28228714
   0.10888328  0.33940954  0.00434623
   0.32820748  0.43867600  0.33620881
   0.51532278  0.36805968  0.20217173
   0.27715679  0.38435830  0.14333183
   0.25536294  0.09759787  0.46458956
   0.01947757  0.15469062  0.39361155
   0.01064532  0.02540914  0.55389666
   0.46051134  0.26398334  0.77132069
   0.12841036  0.27445200  0.55130613
   0.34624733  0.48913036  0.84129981
   0.43607715  0.48067273  0.66284444
   0.19527773  0.37052513  0.72065338
   0.28962937  0.22620324 -0.09840180
   0.03739560  0.13884471  0.89427059
   0.12442620  0.58209493  0.08182058
   0.40262222  0.69845397  0.27437742
   0.09195883  0.85360528  0.04508207
   0.36596061  0.93517393  0.34188610
   0.41708606  0.90558419  0.15202779
   0.17004530  0.83133785  0.22685835
   0.33366108  0.65548455  0.45608491
   0.07746350  0.66775953  0.40326674
   0.16885281  0.54133349  0.56220423
   0.32861784  0.73465410  0.75738882
   0.14365367  0.79275999  0.55879453
   0.38120263  1.01344086  0.80921222
   0.44813090  0.93815233  0.63131844
   0.18213466  0.96102267  0.69621833
   0.28152106  0.70501260 -0.05489637
   0.02810618  0.64709042  0.91049257
   0.59988190  0.08204868  0.11906996
   0.82572363  0.20957274  0.25493302
   0.61448454  0.31286916  0.03405063
   0.96320685  0.43017215  0.35601333
   0.01480549  0.37742183  0.18064320
   0.75593358  0.45261286  0.15774757
   0.77282480  0.19535832  0.43860140
   0.50056456  0.11162981  0.42535017
   0.66663878  0.06940595  0.57854224
   0.80885493  0.21181718  0.80434409
   0.57930587  0.32179327  0.54385097
   0.86986584  0.44379569  0.86151810
   0.96930693  0.42907476  0.66073384
   0.70102655  0.42776707  0.70626154
   0.79040234  0.10972600  0.97892773
   0.53805859  0.11943711  0.93109251
   0.56657459  0.58428472  0.07844995
   0.85149874  0.68734517  0.30443172
   0.60257027  0.83428144  0.03522654
   0.85089271  0.95601033  0.33242607
   0.91781795  0.83587276  0.16777773
   0.65672106  0.84541143  0.22392040
   0.83312574  0.57905244  0.46791626
   0.57182135  0.54853941  0.39411559
   0.61948319  0.58866888  0.57329812
   0.82550114  0.69606692  0.79451777
   0.65156972  0.77686793  0.43042691
   0.88319380  0.94461196  0.84299325
   0.93522385  0.83607689  0.67524398
   0.67344212  0.91892545  0.74056159
   0.77393387  0.64971362  0.97260011
   0.53050602  0.67322432  0.89039148
   0.68643577  0.80452008  0.59462886
   0.67117164  0.85174581  0.47317482
   0.88730225  0.23366014  0.09333202
   1.01527694  0.38985665  0.30215521
   0.29817635  0.15449962  0.64901401
   0.31691935  0.70402588  0.69144830
   0.01076200  1.15546658  0.13389084
   0.19837180  1.08919641  0.03134604
   0.64342842  0.37304418  0.87816079
   0.88787412  0.45231131  0.62516685
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892185    0.512933   -0.046515
    -0.000000    9.722280   -0.017986
    -0.000000    0.000000   14.125773
   Si   O    H 
    32    64    10
Direct configuration=  1347
   0.15380848  0.19498918 -0.04190119
   0.35750063  0.08767516  0.37708093
   0.12544242  0.41520627  0.10506052
   0.36314692  0.33743027  0.23591171
   0.09527998  0.13962241  0.49548787
   0.41831025  0.15784098  0.85648098
   0.12516121  0.40496171  0.61897633
   0.35673728  0.39296485  0.74433567
   0.13401761  0.70406012 -0.00935620
   0.41391497  0.59229821  0.36026818
   0.06009901  0.90260366  0.15340596
   0.33439504  0.84952400  0.24389675
   0.18098965  0.66405220  0.49124131
   0.37035203  0.64773329  0.85202105
   0.06273570  0.90123642  0.62830909
   0.32311112  1.01966087  0.69732016
   0.63543722  0.14688651  1.01867425
   0.86256275  0.12479388  0.35131528
   0.59871700  0.42950921  0.11926495
   0.86673537  0.32590406  0.17354313
   0.62635545  0.17605739  0.49363392
   0.88041883  0.10391021  0.87785137
   0.58889412  0.44626411  0.62342069
   0.74618163  0.36366142  0.81117366
   0.61117887  0.68646318 -0.01148947
   0.93627064  0.59145932  0.38120639
   0.56898672  0.91725699  0.13641747
   0.81483450  0.83653868  0.25923170
   0.66927425  0.62190201  0.46878053
   0.87517741  0.60491266  0.88798752
   0.61574919  0.93339716  0.63212570
   0.82838085  0.85434914  0.76237999
   0.05396372  0.06842906  0.16741356
   0.34032054  0.18304168  0.28166554
   0.11022266  0.33887668  0.00451569
   0.32888225  0.43826496  0.33649648
   0.51392598  0.36736302  0.20230435
   0.27927497  0.38394867  0.14418310
   0.25443516  0.09696372  0.46425099
   0.01960912  0.15596936  0.39388909
   0.00922454  0.02456476  0.55415241
   0.45995009  0.26307925  0.77152669
   0.12797963  0.27578901  0.55117953
   0.34565894  0.49005438  0.84071743
   0.43474444  0.48084295  0.66347580
   0.19638055  0.37096728  0.71956338
   0.28928667  0.22494946 -0.09873924
   0.03997676  0.13912596  0.89480882
   0.12282693  0.58390303  0.08164588
   0.40225251  0.69937267  0.27452465
   0.09286140  0.85194292  0.04402305
   0.36757000  0.93369876  0.34167154
   0.42001685  0.90281179  0.15238652
   0.17027979  0.83159797  0.22774166
   0.33532593  0.65461311  0.45675408
   0.07686379  0.66823812  0.40254475
   0.16760858  0.53962759  0.56092830
   0.32912970  0.73544351  0.75654424
   0.14341142  0.79425421  0.55854203
   0.37989461  1.01214011  0.80881441
   0.44800311  0.94078314  0.63140354
   0.18058062  0.96154271  0.69653859
   0.28328252  0.70580602 -0.05585344
   0.02936240  0.64862550  0.91095992
   0.59960816  0.08236746  0.12025081
   0.82495507  0.20892724  0.25531071
   0.61460337  0.31151276  0.03300700
   0.96316512  0.43088925  0.35696694
   0.01441675  0.37872416  0.18073067
   0.75636902  0.45406577  0.15716014
   0.77361505  0.19368901  0.44072694
   0.50137714  0.11256772  0.42678108
   0.66650963  0.06966781  0.57695797
   0.80834247  0.21118470  0.80478727
   0.58027145  0.32005623  0.54302780
   0.87029741  0.44547511  0.86196385
   0.97039004  0.42908729  0.66133769
   0.70252890  0.42822136  0.70757875
   0.79069278  0.10942742  0.97795233
   0.53934999  0.11806926  0.92982182
   0.56481135  0.58338451  0.07939360
   0.85142277  0.68841276  0.30432850
   0.60201036  0.83394503  0.03422949
   0.85015933  0.95551938  0.33314502
   0.91881940  0.83571670  0.16858005
   0.65770410  0.84652748  0.22373221
   0.83336219  0.57864687  0.46902237
   0.57264598  0.54907969  0.39353736
   0.61887001  0.58652694  0.57479200
   0.82640587  0.69454884  0.79489403
   0.64960381  0.77715443  0.42972098
   0.88475574  0.94297417  0.84316218
   0.93307047  0.83561445  0.67661213
   0.67539333  0.91721839  0.74049158
   0.77441976  0.64970192  0.97306335
   0.53137072  0.67285161  0.88856028
   0.68795176  0.80661121  0.60084609
   0.67076950  0.84258300  0.47376818
   0.88983196  0.23018850  0.08753906
   1.01982525  0.38901353  0.30586876
   0.29888025  0.15147467  0.65517231
   0.32440734  0.70280810  0.69225813
   0.00660279  1.16512931  0.12996199
   0.20135236  1.09470714  0.02646589
   0.63513786  0.38005704  0.87326241
   0.88893888  0.45758310  0.62283222
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893524    0.512434   -0.049243
    -0.000000    9.720404   -0.019848
    -0.000000    0.000000   14.124404
   Si   O    H 
    32    64    10
Direct configuration=  1348
   0.15292370  0.19501008 -0.04210454
   0.35642732  0.08678465  0.37759311
   0.12637187  0.41702577  0.10406706
   0.36243316  0.33775847  0.23514379
   0.09612945  0.13852425  0.49561896
   0.41931074  0.15702249  0.85688306
   0.12357005  0.40520778  0.61901319
   0.35746541  0.39181101  0.74394597
   0.13404127  0.70395246 -0.00902620
   0.41561063  0.59124285  0.36002698
   0.05978448  0.90246205  0.15276242
   0.33273635  0.85096490  0.24329821
   0.18091837  0.66416234  0.49125661
   0.37092788  0.64747715  0.85204991
   0.06294680  0.90124720  0.62850489
   0.32451169  1.01949256  0.69643579
   0.63316721  0.14707073  1.01790041
   0.86326441  0.12563560  0.35107529
   0.59952788  0.42957646  0.11894876
   0.86642719  0.32615833  0.17308761
   0.62605659  0.17702220  0.49292550
   0.88152736  0.10507391  0.87804725
   0.58931998  0.44588020  0.62336815
   0.74699305  0.36348638  0.81135573
   0.61125085  0.68660696 -0.01156120
   0.93674748  0.59161481  0.38234634
   0.56862365  0.91685841  0.13620448
   0.81305363  0.83661858  0.25908648
   0.67004102  0.62124561  0.46799934
   0.87579491  0.60382128  0.88787461
   0.61617684  0.93218760  0.63281096
   0.82798170  0.85513613  0.76159017
   0.05546737  0.06824566  0.16823609
   0.34079100  0.18299408  0.28062840
   0.11127383  0.33892335  0.00399536
   0.32911380  0.43789068  0.33634018
   0.51298655  0.36677608  0.20291557
   0.28098356  0.38366339  0.14457471
   0.25339529  0.09616375  0.46430987
   0.01904918  0.15783792  0.39383820
   0.00794205  0.02389388  0.55521064
   0.45939416  0.26233853  0.77119608
   0.12769585  0.27680249  0.55091386
   0.34478042  0.49061040  0.83991141
   0.43402315  0.48024524  0.66425478
   0.19796090  0.37119916  0.71823190
   0.28844151  0.22430153 -0.09873830
   0.04190078  0.13946863  0.89494785
   0.12092327  0.58423808  0.08090078
   0.40266528  0.70108072  0.27431186
   0.09422868  0.85058751  0.04253068
   0.36961404  0.93083232  0.34151395
   0.42124034  0.90040784  0.15310728
   0.17059936  0.83143337  0.22820392
   0.33698224  0.65362197  0.45640422
   0.07655057  0.66850938  0.40227327
   0.16614218  0.53737820  0.55969178
   0.32977575  0.73691468  0.75667488
   0.14443202  0.79570918  0.55881844
   0.37804932  1.01118026  0.80815183
   0.44783996  0.94250774  0.63086141
   0.17895021  0.96192430  0.69749393
   0.28478184  0.70634650 -0.05682813
   0.03024215  0.65031327  0.91151336
   0.59865740  0.08203695  0.12149740
   0.82445972  0.20822248  0.25501131
   0.61482702  0.31123020  0.03258243
   0.96335799  0.43065234  0.35764173
   0.01473503  0.38046854  0.18117991
   0.75725717  0.45422207  0.15647845
   0.77397743  0.19220000  0.44185472
   0.50226230  0.11334539  0.42828588
   0.66542716  0.06911273  0.57587567
   0.80822924  0.21022401  0.80548001
   0.58053569  0.31963887  0.54279391
   0.87024489  0.44615957  0.86249358
   0.97056146  0.42884939  0.66207906
   0.70295377  0.42722489  0.70890250
   0.79117627  0.10966786  0.97748810
   0.53953126  0.11725356  0.92814856
   0.56419444  0.58273099  0.08017983
   0.85147847  0.68809680  0.30369871
   0.60202458  0.83442884  0.03330584
   0.84944393  0.95471114  0.33417117
   0.91911763  0.83548107  0.16996582
   0.65873664  0.84724984  0.22349955
   0.83262403  0.57753278  0.47038608
   0.57274492  0.54930664  0.39215924
   0.61851749  0.58402012  0.57596676
   0.82740745  0.69304255  0.79541073
   0.64823622  0.77726174  0.42840290
   0.88671470  0.94226539  0.84374774
   0.93162022  0.83481273  0.67771808
   0.67665660  0.91552091  0.74043423
   0.77532988  0.64942052  0.97380346
   0.53206174  0.67193953  0.88706089
   0.68797091  0.80748202  0.60323033
   0.67328899  0.84349773  0.47895460
   0.89396867  0.22636481  0.08257637
   1.02063181  0.38939299  0.31116159
   0.30234923  0.15292676  0.65979468
   0.33251566  0.70026999  0.69441977
   0.00422095  1.15908620  0.12851352
   0.20489905  1.09820185  0.02242953
   0.62320667  0.38379875  0.86960226
   0.89278385  0.46388443  0.61895225
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894354    0.512113   -0.052244
    -0.000000    9.718760   -0.021334
    -0.000000    0.000000   14.123262
   Si   O    H 
    32    64    10
Direct configuration=  1349
   0.15241872  0.19494248 -0.04246594
   0.35487042  0.08638304  0.37790111
   0.12736947  0.41901735  0.10309175
   0.36171184  0.33798641  0.23510737
   0.09709497  0.13705491  0.49540617
   0.42022312  0.15642093  0.85661411
   0.12173597  0.40519747  0.61911691
   0.35795182  0.39089286  0.74382605
   0.13397767  0.70315371 -0.00899736
   0.41767940  0.59030853  0.36021101
   0.05970808  0.90234087  0.15187887
   0.33084459  0.85197110  0.24260433
   0.18073234  0.66461856  0.49146911
   0.37161000  0.64731489  0.85181743
   0.06307661  0.90153085  0.62841425
   0.32629533  1.01898234  0.69566517
   0.63224757  0.14726501  1.01689636
   0.86443962  0.12626914  0.35103027
   0.59994616  0.42994479  0.11858175
   0.86553981  0.32653748  0.17282897
   0.62565462  0.17765778  0.49257528
   0.88304668  0.10634860  0.87847453
   0.59004478  0.44498973  0.62326160
   0.74758647  0.36390327  0.81168132
   0.61092440  0.68691645 -0.01164088
   0.93714435  0.59139734  0.38314651
   0.56870289  0.91631608  0.13556009
   0.81171520  0.83680751  0.25881190
   0.67173546  0.62026870  0.46707799
   0.87671667  0.60347857  0.88794899
   0.61605237  0.93128936  0.63351014
   0.82721425  0.85571307  0.76078710
   0.05728298  0.06843068  0.16878930
   0.34080295  0.18311975  0.27891634
   0.11213578  0.33918881  0.00316733
   0.33038322  0.43784796  0.33577444
   0.51293786  0.36603541  0.20389311
   0.28201137  0.38330817  0.14498534
   0.25254493  0.09543050  0.46421851
   0.01728880  0.15906929  0.39429424
   0.00753311  0.02419155  0.55628140
   0.45936033  0.26210677  0.77107992
   0.12790099  0.27760844  0.55048178
   0.34399447  0.49015821  0.83861143
   0.43236794  0.47895425  0.66475397
   0.19909024  0.37141536  0.71669585
   0.28737967  0.22350758 -0.09862899
   0.04267266  0.13926267  0.89478603
   0.11918444  0.58564793  0.08035937
   0.40384188  0.70245289  0.27379972
   0.09594872  0.84974061  0.04137130
   0.37094564  0.92814560  0.34134297
   0.42154545  0.89857305  0.15407099
   0.17173005  0.83132381  0.22838902
   0.33881540  0.65314408  0.45648297
   0.07666010  0.66855399  0.40249904
   0.16540643  0.53491110  0.55879410
   0.33064943  0.73855650  0.75704176
   0.14562758  0.79695697  0.55908279
   0.37675610  1.01034397  0.80730950
   0.44743616  0.94379560  0.63038312
   0.17745351  0.96196985  0.69846351
   0.28545173  0.70722806 -0.05801662
   0.03123616  0.65201108  0.91216291
   0.59778302  0.08251373  0.12269216
   0.82477906  0.20727717  0.25492480
   0.61557418  0.31100143  0.03186439
   0.96355965  0.43049601  0.35814620
   0.01515218  0.38197320  0.18209728
   0.75711891  0.45391298  0.15609327
   0.77447080  0.19046654  0.44268483
   0.50411664  0.11411690  0.42988121
   0.66430733  0.06758201  0.57500189
   0.80945314  0.20894032  0.80582035
   0.58066098  0.31937420  0.54264314
   0.87064103  0.44627422  0.86328662
   0.97097741  0.42832079  0.66291812
   0.70318267  0.42655541  0.70959667
   0.79088235  0.11030766  0.97713156
   0.53968756  0.11671856  0.92666023
   0.56270102  0.58263966  0.08086011
   0.85190159  0.68807685  0.30332448
   0.60250566  0.83590396  0.03290524
   0.84874893  0.95476648  0.33516981
   0.91992435  0.83565527  0.17145523
   0.65929281  0.84816876  0.22310079
   0.83136939  0.57664946  0.47126070
   0.57327171  0.54954412  0.39024807
   0.61869350  0.58233384  0.57707948
   0.82773908  0.69095427  0.79559952
   0.64659675  0.77831180  0.42740840
   0.88857377  0.94213227  0.84435379
   0.93105757  0.83426138  0.67809359
   0.67789399  0.91430122  0.74021314
   0.77629894  0.64890808  0.97475559
   0.53195441  0.67161682  0.88563485
   0.68632111  0.80514223  0.60204086
   0.67429412  0.84385241  0.48021345
   0.89530828  0.22390670  0.08182653
   1.02695535  0.38764579  0.31140262
   0.30701634  0.15504557  0.66186465
   0.33849736  0.69620211  0.69453594
   0.00639951  1.13819972  0.13226900
   0.20577957  1.09674104  0.02186120
   0.61291750  0.38299185  0.86661688
   0.90112165  0.46701366  0.62090819
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895587    0.511682   -0.054858
    -0.000000    9.717188   -0.022730
    -0.000000    0.000000   14.122298
   Si   O    H 
    32    64    10
Direct configuration=  1350
   0.15221424  0.19492738 -0.04261649
   0.35393460  0.08544417  0.37771222
   0.12784777  0.42082719  0.10195909
   0.36131491  0.33821738  0.23517519
   0.09745460  0.13561661  0.49500310
   0.42108085  0.15585616  0.85584201
   0.12014593  0.40512968  0.61948231
   0.35809604  0.39030210  0.74420702
   0.13385968  0.70195412 -0.00856121
   0.41929190  0.58946000  0.36061658
   0.05994915  0.90263875  0.15089812
   0.32992716  0.85281759  0.24235349
   0.18076691  0.66473717  0.49158106
   0.37236644  0.64725377  0.85192121
   0.06314183  0.90211868  0.62770447
   0.32848358  1.01836077  0.69503942
   0.63158688  0.14733507  1.01575050
   0.86553240  0.12707824  0.35124157
   0.60034423  0.43044037  0.11831041
   0.86482181  0.32618844  0.17222270
   0.62579576  0.17818356  0.49160677
   0.88420794  0.10813660  0.87882999
   0.58977142  0.44417597  0.62290011
   0.74772642  0.36505561  0.81168220
   0.61084541  0.68667880 -0.01209012
   0.93775715  0.59086555  0.38393182
   0.56877775  0.91585481  0.13472496
   0.81047832  0.83683078  0.25818754
   0.67327152  0.61994644  0.46653961
   0.87757466  0.60365093  0.88847371
   0.61550453  0.93072906  0.63438532
   0.82611221  0.85553445  0.76056900
   0.05931086  0.06854842  0.16923681
   0.34133471  0.18306395  0.27704595
   0.11256977  0.33851375  0.00321931
   0.33198684  0.43816031  0.33560771
   0.51250584  0.36585818  0.20487143
   0.28129521  0.38298225  0.14475287
   0.25100137  0.09524118  0.46470272
   0.01544005  0.16054993  0.39476201
   0.00724745  0.02506745  0.55724142
   0.45914340  0.26136723  0.77120861
   0.12826704  0.27840351  0.54941677
   0.34322916  0.48952273  0.83778026
   0.43210267  0.47815349  0.66516444
   0.20061380  0.37137708  0.71571105
   0.28736224  0.22404541 -0.09891772
   0.04315362  0.13866647  0.89451798
   0.11733770  0.58646200  0.07996583
   0.40521561  0.70435078  0.27321656
   0.09784922  0.84901185  0.04025590
   0.37260848  0.92609958  0.34114754
   0.42016856  0.89706847  0.15538480
   0.17246218  0.83152426  0.22813181
   0.34009481  0.65254569  0.45627898
   0.07643685  0.66830937  0.40283085
   0.16498664  0.53233162  0.55733155
   0.33167825  0.73982701  0.75747745
   0.14640581  0.79744287  0.55968609
   0.37563296  1.00943729  0.80628592
   0.44636222  0.94488736  0.62990896
   0.17652177  0.96193172  0.69969288
   0.28569996  0.70735221 -0.05868061
   0.03123103  0.65373962  0.91272686
   0.59721131  0.08323726  0.12371877
   0.82505841  0.20722270  0.25412478
   0.61564422  0.31130543  0.03171490
   0.96409317  0.43035635  0.35805517
   0.01565454  0.38380196  0.18270990
   0.75695130  0.45280498  0.15592811
   0.77439881  0.18878270  0.44318786
   0.50526161  0.11500456  0.43077834
   0.66309117  0.06552371  0.57420309
   0.81086734  0.20830205  0.80601801
   0.58046723  0.32036492  0.54239276
   0.87118530  0.44580525  0.86390083
   0.97092599  0.42727501  0.66374523
   0.70353677  0.42539496  0.70967571
   0.79018852  0.11074062  0.97708242
   0.53924395  0.11610482  0.92552056
   0.56211901  0.58372938  0.08067091
   0.85261774  0.68807685  0.30299919
   0.60191285  0.83838500  0.03348117
   0.84800378  0.95494282  0.33643922
   0.92059654  0.83644623  0.17324949
   0.65935942  0.84930074  0.22177981
   0.83020173  0.57486352  0.47185791
   0.57399235  0.54952931  0.38829172
   0.61960423  0.58170626  0.57763640
   0.82855313  0.68935835  0.79595906
   0.64482906  0.77970423  0.42698567
   0.89108969  0.94196329  0.84472901
   0.93166887  0.83381234  0.67838354
   0.67877882  0.91348404  0.73986909
   0.77715788  0.64835948  0.97603226
   0.53173127  0.67110593  0.88403188
   0.68353344  0.80240967  0.59679037
   0.67051328  0.83882525  0.47514767
   0.89796173  0.22738772  0.08404766
   1.02956418  0.38570961  0.31169991
   0.31070999  0.16113386  0.66427092
   0.34362189  0.69077570  0.69589429
   0.00728112  1.12090102  0.13641859
   0.20765947  1.09226147  0.02455414
   0.61218109  0.38154865  0.86143379
   0.90973057  0.47254990  0.62249962
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896239    0.511618   -0.057935
    -0.000000    9.715340   -0.024159
    -0.000000    0.000000   14.121524
   Si   O    H 
    32    64    10
Direct configuration=  1351
   0.15268579  0.19408066 -0.04302724
   0.35324367  0.08474223  0.37779237
   0.12857609  0.42330202  0.10073455
   0.36100172  0.33857921  0.23584468
   0.09740780  0.13407875  0.49453829
   0.42186150  0.15563945  0.85532425
   0.11907515  0.40510887  0.62015825
   0.35845553  0.38996745  0.74476140
   0.13381660  0.70074309 -0.00789195
   0.42054093  0.58850430  0.36065177
   0.05984231  0.90280683  0.14983583
   0.32964997  0.85326553  0.24233027
   0.18070165  0.66505601  0.49177428
   0.37321329  0.64783427  0.85217109
   0.06313534  0.90324811  0.62689375
   0.33007813  1.01819903  0.69424664
   0.63139032  0.14788725  1.01471399
   0.86697181  0.12795986  0.35164249
   0.60000731  0.43085294  0.11756485
   0.86417379  0.32527017  0.17183416
   0.62571542  0.17884752  0.49071374
   0.88538534  0.10945594  0.87933355
   0.58936742  0.44334184  0.62266549
   0.74803539  0.36606080  0.81168246
   0.61125582  0.68589556 -0.01259309
   0.93850458  0.58985217  0.38425634
   0.56903504  0.91577511  0.13355345
   0.80921553  0.83697715  0.25818491
   0.67404309  0.62014769  0.46581882
   0.87813478  0.60453734  0.88877380
   0.61457328  0.93052539  0.63503389
   0.82505383  0.85500316  0.76067789
   0.06227972  0.06750089  0.17022443
   0.34257746  0.18232080  0.27534182
   0.11295171  0.33908875  0.00414817
   0.33444173  0.43850853  0.33500817
   0.51276594  0.36598675  0.20523234
   0.27986239  0.38267411  0.14396594
   0.24939084  0.09520664  0.46475467
   0.01451914  0.16202349  0.39580642
   0.00755803  0.02655542  0.55762264
   0.45912594  0.26096851  0.77182957
   0.12880944  0.27871974  0.54816439
   0.34282409  0.48872198  0.83677870
   0.43301518  0.47728003  0.66558920
   0.20231356  0.37032389  0.71502421
   0.28797357  0.22384329 -0.09894524
   0.04306958  0.13797571  0.89398885
   0.11560827  0.58757662  0.08024616
   0.40654958  0.70578749  0.27240173
   0.09999939  0.84898643  0.03933629
   0.37376441  0.92462930  0.34163054
   0.41812955  0.89555060  0.15592565
   0.17289644  0.83237442  0.22704822
   0.34126862  0.65248055  0.45585095
   0.07644603  0.66793577  0.40323407
   0.16542540  0.53069851  0.55625886
   0.33375857  0.74096439  0.75770832
   0.14701315  0.79699836  0.56015332
   0.37503059  1.00934559  0.80507948
   0.44535065  0.94578540  0.62892779
   0.17614370  0.96091539  0.70093026
   0.28612032  0.70724169 -0.05871124
   0.03055453  0.65512524  0.91303460
   0.59680108  0.08380928  0.12466979
   0.82549282  0.20765984  0.25278846
   0.61552679  0.31241102  0.03176790
   0.96470197  0.43042832  0.35757647
   0.01587647  0.38604943  0.18319817
   0.75615329  0.45190148  0.15570062
   0.77457642  0.18732487  0.44326222
   0.50633775  0.11625261  0.43132692
   0.66181502  0.06376149  0.57347138
   0.81215402  0.20798319  0.80541610
   0.57950202  0.32146304  0.54177826
   0.87101675  0.44513823  0.86387175
   0.97090973  0.42665535  0.66474635
   0.70291904  0.42443031  0.70885885
   0.78962469  0.11094236  0.97640165
   0.53926948  0.11517098  0.92510562
   0.56233312  0.58516233  0.08024724
   0.85304211  0.68788549  0.30276974
   0.60129133  0.84070856  0.03330230
   0.84755151  0.95602580  0.33743298
   0.92107771  0.83801755  0.17442883
   0.65939228  0.85087922  0.22040761
   0.82997252  0.57332627  0.47200633
   0.57452454  0.54862927  0.38699484
   0.62015263  0.58147404  0.57714813
   0.82910155  0.68903095  0.79593207
   0.64295112  0.78079860  0.42642631
   0.89424435  0.94183140  0.84442891
   0.93240606  0.83441757  0.67824496
   0.67902935  0.91203657  0.74023220
   0.77747499  0.64807680  0.97761843
   0.53185189  0.67030766  0.88318897
   0.67918723  0.80230425  0.58923126
   0.67210867  0.84094962  0.47488932
   0.89910579  0.23484361  0.08865007
   1.02873031  0.38855591  0.31407625
   0.31663392  0.16331953  0.66453153
   0.34516136  0.69052362  0.69911969
  -0.00724674  1.12545684  0.12850347
   0.20841136  1.08747225  0.02511431
   0.61517010  0.37740001  0.85510468
   0.90908494  0.48456040  0.61805728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897036    0.512176   -0.061208
    -0.000000    9.713494   -0.025645
    -0.000000    0.000000   14.120919
   Si   O    H 
    32    64    10
Direct configuration=  1352
   0.15300919  0.19309667 -0.04289727
   0.35336899  0.08417608  0.37766721
   0.12878920  0.42529564  0.10000575
   0.36102686  0.33905569  0.23686879
   0.09704564  0.13325726  0.49411818
   0.42259788  0.15478071  0.85480512
   0.11799733  0.40443702  0.62055739
   0.35865952  0.38938535  0.74499919
   0.13388780  0.69916801 -0.00694721
   0.42141006  0.58745175  0.36019202
   0.05985875  0.90320194  0.14852115
   0.32956023  0.85328138  0.24263551
   0.18077741  0.66514065  0.49193833
   0.37400002  0.64832846  0.85258920
   0.06310628  0.90494757  0.62642179
   0.33180899  1.01767076  0.69396518
   0.63143132  0.14841664  1.01385549
   0.86780609  0.12882276  0.35181052
   0.60035953  0.43103860  0.11701110
   0.86375743  0.32401952  0.17168585
   0.62602863  0.17922140  0.48980623
   0.88641437  0.10958437  0.87924642
   0.58853148  0.44241950  0.62239437
   0.74808949  0.36720440  0.81121070
   0.61148837  0.68525803 -0.01321341
   0.93874505  0.58919726  0.38438507
   0.56898481  0.91615040  0.13248500
   0.80829411  0.83706662  0.25877276
   0.67467999  0.61997563  0.46537241
   0.87841408  0.60574632  0.88948114
   0.61355130  0.93033096  0.63527053
   0.82431325  0.85465543  0.76102617
   0.06425734  0.06736730  0.17096832
   0.34362341  0.18186531  0.27449409
   0.11295824  0.33981611  0.00477520
   0.33608599  0.43975548  0.33494275
   0.51376563  0.36564911  0.20552124
   0.27786203  0.38254857  0.14327095
   0.24769449  0.09526352  0.46437001
   0.01407502  0.16329180  0.39678832
   0.00759920  0.02780974  0.55762933
   0.45932250  0.26136792  0.77238328
   0.12937729  0.27877609  0.54720413
   0.34266923  0.48752011  0.83566003
   0.43397143  0.47541121  0.66608578
   0.20404559  0.36992664  0.71479664
   0.28873062  0.22395741 -0.09948063
   0.04252783  0.13731651  0.89372306
   0.11341765  0.58868809  0.07993375
   0.40790428  0.70659979  0.27207914
   0.10184034  0.84886959  0.03915137
   0.37514247  0.92405678  0.34190597
   0.41589804  0.89463657  0.15584528
   0.17286268  0.83291633  0.22554999
   0.34178031  0.65282998  0.45511230
   0.07612099  0.66746584  0.40359063
   0.16685998  0.52900757  0.55522758
   0.33525699  0.74167155  0.75767527
   0.14698599  0.79620246  0.56071281
   0.37569174  1.00884803  0.80368113
   0.44506169  0.94535363  0.62797006
   0.17507875  0.95983659  0.70206176
   0.28628527  0.70693106 -0.05871874
   0.02945344  0.65633733  0.91296769
   0.59683899  0.08403573  0.12521532
   0.82579500  0.20846443  0.25147797
   0.61611680  0.31390511  0.03173136
   0.96473711  0.43043935  0.35675496
   0.01611649  0.38851347  0.18334075
   0.75523199  0.45025063  0.15620217
   0.77408623  0.18526267  0.44329786
   0.50721260  0.11833652  0.43161276
   0.66098449  0.06116879  0.57355529
   0.81325722  0.20765815  0.80463506
   0.57837782  0.32270386  0.54150676
   0.87139681  0.44471627  0.86325013
   0.96916239  0.42602736  0.66568821
   0.70344143  0.42400687  0.70775191
   0.78958712  0.11198189  0.97631340
   0.53991610  0.11436448  0.92482570
   0.56315458  0.58583221  0.07964155
   0.85364691  0.68797720  0.30274571
   0.60099727  0.84306094  0.03297946
   0.84643715  0.95692284  0.33822998
   0.92090055  0.83984369  0.17483394
   0.65872619  0.85216896  0.21874442
   0.83023147  0.57053193  0.47208505
   0.57636945  0.54819413  0.38563666
   0.62001440  0.58230064  0.57593349
   0.82955820  0.68874625  0.79608012
   0.64120633  0.78171443  0.42603505
   0.89683206  0.94279561  0.84430116
   0.93308405  0.83564409  0.67751511
   0.67839461  0.91199178  0.73983583
   0.77852871  0.64817027  0.97921837
   0.53202199  0.66902869  0.88262201
   0.67663398  0.80361581  0.58296458
   0.67780407  0.84820166  0.47665123
   0.89715798  0.23949199  0.09224868
   1.02770266  0.39300659  0.31537726
   0.32010652  0.16265804  0.66423387
   0.34704070  0.68964856  0.70353112
  -0.01478655  1.12575255  0.12503446
   0.21120889  1.08634452  0.02462116
   0.61754635  0.37031691  0.85338514
   0.91355386  0.48753499  0.61728234
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898309    0.512434   -0.064935
    -0.000000    9.711794   -0.026577
    -0.000000    0.000000   14.120296
   Si   O    H 
    32    64    10
Direct configuration=  1353
   0.15343785  0.19127744 -0.04253089
   0.35357343  0.08370739  0.37734664
   0.12906648  0.42664243  0.09925884
   0.36132685  0.33913225  0.23811612
   0.09608889  0.13293199  0.49358269
   0.42260789  0.15374531  0.85393023
   0.11687128  0.40322843  0.62077792
   0.35874067  0.38889642  0.74514576
   0.13425088  0.69740527 -0.00595694
   0.42147487  0.58673673  0.35948945
   0.06047082  0.90404212  0.14737616
   0.32960718  0.85318929  0.24304643
   0.18122948  0.66465297  0.49224552
   0.37490324  0.64928456  0.85285508
   0.06271488  0.90648164  0.62642567
   0.33320796  1.01774469  0.69358949
   0.63209065  0.15009928  1.01328725
   0.86873058  0.12971761  0.35215172
   0.60063546  0.43111133  0.11682535
   0.86362875  0.32299741  0.17215272
   0.62649332  0.17977951  0.48940161
   0.88710438  0.10881027  0.87970872
   0.58761894  0.44159925  0.62237706
   0.74855422  0.36868164  0.81092800
   0.61233277  0.68492950 -0.01365122
   0.93847574  0.58862500  0.38460706
   0.56905645  0.91649144  0.13147791
   0.80795371  0.83716197  0.25928599
   0.67485838  0.61953868  0.46506448
   0.87899689  0.60729482  0.89010858
   0.61272529  0.93073785  0.63528761
   0.82372970  0.85366741  0.76168708
   0.06500811  0.06841441  0.17113929
   0.34467251  0.18119403  0.27445727
   0.11154475  0.34023805  0.00503724
   0.33752820  0.44116599  0.33463401
   0.51439107  0.36574748  0.20570285
   0.27499268  0.38295095  0.14233390
   0.24675847  0.09549517  0.46396237
   0.01359356  0.16476425  0.39771039
   0.00714420  0.02952351  0.55724381
   0.45882877  0.26117299  0.77292054
   0.13027713  0.27796129  0.54597464
   0.34233024  0.48708899  0.83504003
   0.43539298  0.47321562  0.66632686
   0.20569878  0.36960321  0.71452395
   0.28879103  0.22415686 -0.09986572
   0.04194056  0.13641321  0.89306135
   0.11187567  0.58902590  0.07978322
   0.40846035  0.70671167  0.27182608
   0.10312411  0.84972510  0.03901818
   0.37696883  0.92350375  0.34220748
   0.41317106  0.89404891  0.15618765
   0.17230043  0.83298234  0.22398441
   0.34228295  0.65335972  0.45486887
   0.07654352  0.66742087  0.40389137
   0.16827280  0.52774957  0.55403302
   0.33678238  0.74312480  0.75847496
   0.14727901  0.79543970  0.56069563
   0.37679598  1.00867153  0.80245896
   0.44559483  0.94396667  0.62680215
   0.17403883  0.95915304  0.70271823
   0.28601279  0.70636910 -0.05864518
   0.02834658  0.65722522  0.91311362
   0.59786714  0.08422524  0.12523093
   0.82650273  0.20970103  0.24989393
   0.61640894  0.31519195  0.03197211
   0.96433633  0.43124748  0.35616048
   0.01629637  0.39098496  0.18356558
   0.75519036  0.44900264  0.15735515
   0.77316669  0.18345669  0.44283764
   0.50773412  0.11937761  0.43178642
   0.66042234  0.05918622  0.57382998
   0.81436334  0.20801981  0.80326065
   0.57724537  0.32398344  0.54145155
   0.87193852  0.44419871  0.86246144
   0.96710714  0.42649488  0.66631304
   0.70380177  0.42277866  0.70672727
   0.78921715  0.11229880  0.97668719
   0.54012574  0.11394983  0.92481286
   0.56310396  0.58587720  0.07827926
   0.85399369  0.68760506  0.30303008
   0.60022447  0.84489127  0.03191819
   0.84544805  0.95819416  0.33918719
   0.92053956  0.84106165  0.17561740
   0.65868731  0.85342610  0.21741712
   0.83081319  0.56741580  0.47186128
   0.57854490  0.54803745  0.38458221
   0.62012622  0.58378245  0.57395298
   0.82913679  0.68873172  0.79626127
   0.64031196  0.78250361  0.42612825
   0.89927339  0.94405663  0.84420309
   0.93409396  0.83700372  0.67581600
   0.67708031  0.91248776  0.74002379
   0.77822300  0.64815599  0.97991664
   0.53169155  0.66801270  0.88255868
   0.67170210  0.80748432  0.57936735
   0.68003492  0.84763884  0.47216259
   0.89580785  0.23863097  0.09330614
   1.03404566  0.38764997  0.30953066
   0.32283591  0.15645473  0.66362019
   0.34323632  0.68590853  0.70251055
  -0.00912670  1.11956195  0.12748875
   0.21349480  1.08571359  0.02373869
   0.61753878  0.36690502  0.85443619
   0.91972788  0.48567524  0.62332195
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899655    0.512768   -0.068575
    -0.000000    9.710099   -0.026771
    -0.000000    0.000000   14.120143
   Si   O    H 
    32    64    10
Direct configuration=  1354
   0.15429662  0.19009333 -0.04176837
   0.35452315  0.08333832  0.37703687
   0.12886962  0.42802768  0.09911150
   0.36227541  0.33945466  0.23934899
   0.09475952  0.13336565  0.49331443
   0.42210041  0.15237785  0.85277936
   0.11586932  0.40168584  0.62104577
   0.35814841  0.38788146  0.74538958
   0.13426348  0.69626881 -0.00527446
   0.42171836  0.58599145  0.35865052
   0.06134096  0.90469503  0.14636862
   0.32999856  0.85320207  0.24363580
   0.18128474  0.66334478  0.49209363
   0.37598778  0.65041761  0.85313988
   0.06194428  0.90814293  0.62633680
   0.33451859  1.01794167  0.69316638
   0.63259744  0.15184855  1.01273607
   0.86944099  0.13039903  0.35244218
   0.60026969  0.43139037  0.11622211
   0.86389668  0.32177807  0.17270431
   0.62741448  0.18036890  0.48945119
   0.88754206  0.10789875  0.88038887
   0.58639851  0.44120188  0.62263799
   0.74992458  0.37013193  0.81062401
   0.61323849  0.68508170 -0.01433481
   0.93744847  0.58830152  0.38490666
   0.56928619  0.91641479  0.13028566
   0.80784693  0.83698865  0.25975152
   0.67467185  0.61916368  0.46497742
   0.87882075  0.60861342  0.89060737
   0.61198300  0.93050457  0.63484069
   0.82414048  0.85254051  0.76212909
   0.06508874  0.06970637  0.17093714
   0.34650742  0.18009593  0.27450661
   0.11046795  0.34033425  0.00545369
   0.33812728  0.44279883  0.33445846
   0.51538750  0.36543000  0.20579749
   0.27308910  0.38361289  0.14189783
   0.24704891  0.09541328  0.46288341
   0.01321567  0.16589060  0.39834941
   0.00736055  0.03126051  0.55696762
   0.45888877  0.26047332  0.77296748
   0.13064012  0.27632668  0.54538628
   0.34299399  0.48696788  0.83473140
   0.43734883  0.47083460  0.66623350
   0.20677968  0.36874605  0.71415720
   0.28795673  0.22380996 -0.10057509
   0.04211394  0.13557848  0.89282047
   0.11089904  0.58980075  0.07879847
   0.40823907  0.70587601  0.27173287
   0.10300568  0.85107018  0.03992392
   0.37892070  0.92252771  0.34240015
   0.41099814  0.89434324  0.15633961
   0.17195108  0.83306360  0.22249503
   0.34192500  0.65290514  0.45477607
   0.07700426  0.66806190  0.40348890
   0.17034277  0.52675754  0.55346558
   0.33925655  0.74364170  0.75954044
   0.14845795  0.79449205  0.56059599
   0.37809808  1.00926409  0.80151349
   0.44569501  0.94280005  0.62550852
   0.17325809  0.95851309  0.70290720
   0.28559607  0.70581260 -0.05797434
   0.02793681  0.65770854  0.91304328
   0.59921114  0.08477025  0.12488953
   0.82738930  0.21178633  0.24846337
   0.61616312  0.31633833  0.03203297
   0.96399678  0.43129842  0.35542991
   0.01626169  0.39316790  0.18390853
   0.75406535  0.44804546  0.15790781
   0.77195022  0.18148185  0.44272876
   0.50791896  0.12062895  0.43152589
   0.66072471  0.05785697  0.57378745
   0.81552707  0.20846655  0.80183432
   0.57592623  0.32613388  0.54138274
   0.87220338  0.44361348  0.86206335
   0.96518294  0.42653990  0.66684662
   0.70391043  0.42228161  0.70593595
   0.78858560  0.11148078  0.97741149
   0.53998065  0.11364028  0.92470523
   0.56295411  0.58606667  0.07714227
   0.85427409  0.68772178  0.30338070
   0.59902264  0.84613823  0.03078663
   0.84514871  0.95979101  0.34043813
   0.91980081  0.84241527  0.17611230
   0.65878138  0.85408016  0.21621561
   0.83120753  0.56523743  0.47156208
   0.58013541  0.54742505  0.38346803
   0.62041980  0.58495832  0.57200199
   0.82825032  0.68842304  0.79637647
   0.63980758  0.78263627  0.42704606
   0.90002681  0.94502704  0.84413060
   0.93465019  0.83774342  0.67349705
   0.67468608  0.91236875  0.74020895
   0.77737177  0.64780219  0.98091867
   0.53223846  0.66732972  0.88279634
   0.66465287  0.81726414  0.57840860
   0.68048390  0.84389363  0.46323844
   0.89368993  0.23736508  0.08854265
   1.03412150  0.39255766  0.30663715
   0.32442210  0.15584884  0.66119760
   0.33919590  0.68438970  0.70011259
   0.00712012  1.11014482  0.13505815
   0.21233387  1.08802253  0.02123352
   0.61966358  0.36473553  0.85763337
   0.91918078  0.48633402  0.62810892
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901382    0.513095   -0.071897
    -0.000000    9.708260   -0.027451
    -0.000000    0.000000   14.120017
   Si   O    H 
    32    64    10
Direct configuration=  1355
   0.15514362  0.18872489 -0.04161164
   0.35566361  0.08287289  0.37644695
   0.12866683  0.42945806  0.09931855
   0.36212358  0.34042340  0.24060711
   0.09342755  0.13408363  0.49270695
   0.42108541  0.15127679  0.85163823
   0.11458361  0.40017636  0.62115032
   0.35827313  0.38686587  0.74552500
   0.13449753  0.69570216 -0.00433862
   0.42164258  0.58562420  0.35812231
   0.06195041  0.90598046  0.14604866
   0.33041239  0.85327551  0.24460030
   0.18175600  0.66265396  0.49202416
   0.37662360  0.65061287  0.85342170
   0.06152899  0.90970118  0.62679606
   0.33575875  1.01714584  0.69289292
   0.63318543  0.15347375  1.01266992
   0.86998546  0.13105878  0.35262749
   0.60013545  0.43220718  0.11584658
   0.86436125  0.32162290  0.17286535
   0.62847615  0.18085698  0.48976649
   0.88769902  0.10693974  0.88102560
   0.58644805  0.44110381  0.62311579
   0.75104176  0.37142902  0.81062525
   0.61418429  0.68479102 -0.01495945
   0.93640057  0.58799854  0.38496811
   0.56881948  0.91726073  0.12896959
   0.80774441  0.83747800  0.25995041
   0.67403819  0.61878147  0.46475116
   0.87850187  0.60973925  0.89127713
   0.61174259  0.93033414  0.63424520
   0.82498028  0.85068437  0.76222368
   0.06648424  0.06893277  0.17139958
   0.34825715  0.17937618  0.27469852
   0.10922228  0.34062233  0.00599241
   0.33841148  0.44542740  0.33419220
   0.51702145  0.36517881  0.20556695
   0.27167506  0.38424155  0.14153825
   0.24860702  0.09495938  0.46135301
   0.01235633  0.16744222  0.39866422
   0.00789962  0.03270061  0.55598224
   0.45886295  0.25874098  0.77310357
   0.13083139  0.27523452  0.54487393
   0.34364376  0.48758270  0.83400317
   0.43830739  0.46878479  0.66659187
   0.20770701  0.36813562  0.71379624
   0.28752976  0.22374217 -0.10144488
   0.04281258  0.13540248  0.89220459
   0.11074990  0.59051290  0.07790612
   0.40708448  0.70460128  0.27161154
   0.10241380  0.85246650  0.04159500
   0.37969875  0.92193708  0.34204125
   0.40920438  0.89494513  0.15665557
   0.17126156  0.83322811  0.22034853
   0.34120332  0.65241810  0.45446149
   0.07705188  0.66885080  0.40359295
   0.17179771  0.52560524  0.55280141
   0.34194799  0.74371262  0.76041934
   0.14939253  0.79337090  0.56082551
   0.37970858  1.01116377  0.80133193
   0.44587814  0.94122942  0.62347575
   0.17334083  0.95774743  0.70268419
   0.28554044  0.70574582 -0.05657139
   0.02760050  0.65915354  0.91281952
   0.60073189  0.08507178  0.12432293
   0.82767883  0.21287997  0.24783653
   0.61684254  0.31795711  0.03152439
   0.96345790  0.43198611  0.35440290
   0.01578957  0.39454532  0.18435332
   0.75299575  0.44678910  0.15864813
   0.77029644  0.17972646  0.44191819
   0.50714455  0.12168008  0.43117825
   0.66216653  0.05710133  0.57389902
   0.81659332  0.20921570  0.80125012
   0.57439426  0.32821963  0.54134738
   0.87267455  0.44355241  0.86184130
   0.96416246  0.42633559  0.66755962
   0.70385390  0.42210684  0.70550349
   0.78836923  0.11077316  0.97825528
   0.53915178  0.11264919  0.92435302
   0.56324343  0.58573134  0.07573806
   0.85447255  0.68838656  0.30416514
   0.59783958  0.84733869  0.02945473
   0.84475746  0.96221631  0.34154046
   0.91906415  0.84363975  0.17578860
   0.65819962  0.85476671  0.21457731
   0.83230893  0.56366392  0.47184869
   0.58156859  0.54650547  0.38302003
   0.62103780  0.58592139  0.57027055
   0.82753088  0.68912978  0.79639552
   0.63958162  0.78115117  0.42805745
   0.89905622  0.94501697  0.84405450
   0.93533980  0.83798312  0.67124320
   0.67245138  0.91332169  0.74041241
   0.77661860  0.64811872  0.98192849
   0.53292015  0.66696835  0.88314836
   0.66031732  0.82341186  0.57839702
   0.68759485  0.85368452  0.46271568
   0.89164041  0.23689283  0.08148140
   1.02582683  0.40036528  0.30650014
   0.32628069  0.15995930  0.65907258
   0.33459852  0.68777177  0.70195954
   0.00114645  1.12130324  0.12957603
   0.21288095  1.08598119  0.02278192
   0.62619953  0.36502764  0.86030580
   0.90709776  0.49586506  0.62466453
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902760    0.514243   -0.074992
    -0.000000    9.706802   -0.028456
    -0.000000    0.000000   14.119742
   Si   O    H 
    32    64    10
Direct configuration=  1356
   0.15584822  0.18761347 -0.04076599
   0.35757909  0.08248361  0.37600717
   0.12838127  0.43012995  0.09999198
   0.36175450  0.34080556  0.24183053
   0.09278538  0.13516269  0.49235985
   0.42002381  0.14982857  0.85037279
   0.11316574  0.39883036  0.62114268
   0.35932964  0.38638354  0.74523922
   0.13491572  0.69502365 -0.00399177
   0.42171061  0.58589247  0.35752816
   0.06226455  0.90658436  0.14585769
   0.33116146  0.85275689  0.24558018
   0.18239998  0.66201772  0.49187802
   0.37646730  0.65084689  0.85375640
   0.06173431  0.91072794  0.62737778
   0.33594891  1.01646928  0.69280693
   0.63376308  0.15511527  1.01283979
   0.87008043  0.13152883  0.35299983
   0.59995547  0.43285550  0.11556913
   0.86459956  0.32178957  0.17270763
   0.62888154  0.18104004  0.49043419
   0.88734740  0.10653344  0.88182703
   0.58673119  0.44142919  0.62400588
   0.75213901  0.37163545  0.81069726
   0.61539035  0.68482163 -0.01531953
   0.93555165  0.58765432  0.38475839
   0.56767149  0.91817599  0.12827755
   0.80823727  0.83797780  0.26013591
   0.67311849  0.61797378  0.46460787
   0.87810005  0.61100031  0.89204624
   0.61096882  0.93029418  0.63269626
   0.82662544  0.84904692  0.76251241
   0.06737081  0.06756367  0.17159409
   0.34986195  0.17819349  0.27512987
   0.10791846  0.34074247  0.00619601
   0.33870480  0.44755056  0.33354439
   0.51858173  0.36558053  0.20531360
   0.27143255  0.38421409  0.14228974
   0.24962526  0.09479952  0.46006159
   0.01212939  0.16914224  0.39892519
   0.00842000  0.03434047  0.55496863
   0.46007544  0.25792221  0.77342300
   0.13077672  0.27318773  0.54452751
   0.34379942  0.48896434  0.83343752
   0.43863095  0.46660756  0.66671113
   0.20901314  0.36733972  0.71349507
   0.28707253  0.22362941 -0.10230351
   0.04266438  0.13485797  0.89130988
   0.11069367  0.59128784  0.07736725
   0.40686923  0.70254145  0.27158077
   0.10177795  0.85381548  0.04288362
   0.37998168  0.92241922  0.34185208
   0.40768854  0.89507049  0.15598423
   0.17006773  0.83392215  0.21871136
   0.34061876  0.65116569  0.45393921
   0.07676505  0.66951966  0.40366618
   0.17244081  0.52428925  0.55248280
   0.34336078  0.74372849  0.76086735
   0.15007722  0.79234130  0.56084620
   0.38159538  1.01270509  0.80106373
   0.44712237  0.94004384  0.62132714
   0.17326835  0.95642417  0.70194927
   0.28494963  0.70532833 -0.05519235
   0.02625622  0.66134049  0.91248487
   0.60200797  0.08512687  0.12339812
   0.82862680  0.21353207  0.24744220
   0.61698345  0.32028261  0.03096040
   0.96288679  0.43184490  0.35363438
   0.01496241  0.39535953  0.18460654
   0.75233672  0.44524007  0.15954668
   0.76831640  0.17799872  0.44032572
   0.50517478  0.12219938  0.43054505
   0.66389951  0.05685128  0.57407369
   0.81709852  0.21015521  0.80061007
   0.57401564  0.32931448  0.54165143
   0.87296783  0.44309730  0.86214228
   0.96222520  0.42690305  0.66725827
   0.70414085  0.42199535  0.70492478
   0.78803984  0.11047729  0.97839916
   0.53886315  0.11191061  0.92427033
   0.56363135  0.58483467  0.07473477
   0.85524488  0.68835960  0.30493899
   0.59699950  0.84875232  0.02832365
   0.84416708  0.96381010  0.34261655
   0.91858533  0.84543445  0.17565350
   0.65874063  0.85506224  0.21347890
   0.83364284  0.56189371  0.47202852
   0.58278597  0.54504511  0.38245093
   0.62150785  0.58679112  0.56852107
   0.82682738  0.68997419  0.79626685
   0.63914255  0.78034859  0.42964084
   0.89866387  0.94514721  0.84368528
   0.93552758  0.83879527  0.66928472
   0.67012258  0.91415926  0.74145313
   0.77578252  0.64862391  0.98268022
   0.53387592  0.66774405  0.88384304
   0.65777684  0.82394310  0.57776103
   0.69335162  0.85857155  0.46171312
   0.89308063  0.24100716  0.07723056
   1.02269852  0.40646000  0.30362630
   0.32880406  0.16158609  0.65824511
   0.33248030  0.69477614  0.70714936
  -0.00535498  1.12663447  0.12660101
   0.21108286  1.08286350  0.02580822
   0.62854268  0.36709713  0.86342044
   0.89877251  0.49368649  0.62629987
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903783    0.515878   -0.077346
    -0.000000    9.705825   -0.029909
    -0.000000    0.000000   14.118838
   Si   O    H 
    32    64    10
Direct configuration=  1357
   0.15741562  0.18694759 -0.04030447
   0.35996949  0.08282082  0.37564894
   0.12810010  0.43077840  0.10069117
   0.36115772  0.34203049  0.24305705
   0.09213615  0.13617658  0.49194134
   0.41974548  0.14885241  0.84954867
   0.11179946  0.39756953  0.62108410
   0.36032256  0.38626051  0.74506501
   0.13545744  0.69451418 -0.00377771
   0.42194383  0.58615177  0.35671410
   0.06267538  0.90708669  0.14561192
   0.33211807  0.85169133  0.24665936
   0.18322723  0.66135549  0.49165517
   0.37674296  0.65102891  0.85423715
   0.06244571  0.91148300  0.62765884
   0.33543682  1.01535614  0.69285239
   0.63382853  0.15674857  1.01282469
   0.87042535  0.13161139  0.35288741
   0.60002658  0.43265565  0.11546576
   0.86527942  0.32283849  0.17211606
   0.62902423  0.18114356  0.49160312
   0.88650063  0.10675419  0.88245141
   0.58751791  0.44224138  0.62517557
   0.75272068  0.37213478  0.81010676
   0.61677039  0.68467845 -0.01539629
   0.93482361  0.58700263  0.38435888
   0.56617921  0.91954859  0.12772369
   0.80893366  0.83896615  0.26052960
   0.67183586  0.61717619  0.46428733
   0.87704426  0.61269158  0.89272254
   0.61052667  0.93077559  0.63125834
   0.82840989  0.84811761  0.76261633
   0.06738529  0.06654517  0.17152147
   0.35180527  0.17727072  0.27598674
   0.10629788  0.34040459  0.00560473
   0.33878367  0.44948655  0.33286667
   0.51995208  0.36596628  0.20452165
   0.27172305  0.38429769  0.14351782
   0.24956779  0.09459604  0.45883842
   0.01240918  0.17007261  0.39833443
   0.00894085  0.03690529  0.55424410
   0.46137384  0.25771830  0.77361235
   0.13004372  0.27223917  0.54434457
   0.34345926  0.49163391  0.83308978
   0.43961169  0.46451735  0.66726915
   0.21068311  0.36635477  0.71354480
   0.28695456  0.22286311 -0.10241150
   0.04236678  0.13508556  0.89039260
   0.11044719  0.59122417  0.07774027
   0.40629433  0.70021781  0.27211967
   0.10159813  0.85457872  0.04374130
   0.37940297  0.92353248  0.34172869
   0.40630458  0.89523287  0.15493734
   0.16939786  0.83516737  0.21707388
   0.34047300  0.64975372  0.45288344
   0.07611946  0.67017710  0.40429406
   0.17292504  0.52247716  0.55249429
   0.34541912  0.74363475  0.76120202
   0.15062303  0.79061297  0.56129471
   0.38280910  1.01409155  0.80064676
   0.44786498  0.93841405  0.61936530
   0.17378592  0.95494880  0.70045154
   0.28404288  0.70444450 -0.05335789
   0.02513845  0.66348404  0.91231716
   0.60185862  0.08593184  0.12148850
   0.82993318  0.21355667  0.24858113
   0.61747611  0.32171354  0.03024299
   0.96153839  0.43170751  0.35298635
   0.01408186  0.39623752  0.18455001
   0.75163634  0.44319411  0.16009365
   0.76680193  0.17678377  0.43781327
   0.50289539  0.12221580  0.43009460
   0.66497912  0.05705924  0.57420433
   0.81765245  0.21091544  0.79993536
   0.57394221  0.32930476  0.54188438
   0.87267096  0.44353552  0.86264868
   0.96043879  0.42831038  0.66663807
   0.70394322  0.42154033  0.70453161
   0.78865914  0.10996408  0.97877746
   0.53926736  0.11119214  0.92399442
   0.56321128  0.58456035  0.07281302
   0.85548774  0.68809882  0.30614365
   0.59701838  0.84921394  0.02639956
   0.84388666  0.96565040  0.34406982
   0.91740868  0.84736208  0.17566502
   0.65923630  0.85485691  0.21311223
   0.83424933  0.56061492  0.47262949
   0.58329754  0.54398542  0.38218790
   0.62072979  0.58736922  0.56713983
   0.82608485  0.69080825  0.79580770
   0.63882890  0.78048738  0.43141647
   0.89768266  0.94529673  0.84371346
   0.93537108  0.83984026  0.66812978
   0.66757357  0.91538341  0.74216176
   0.77520003  0.64803305  0.98318124
   0.53492399  0.66758991  0.88427897
   0.65612551  0.81546484  0.57552418
   0.69016137  0.85716220  0.45639797
   0.89152878  0.24657829  0.07807391
   1.02482608  0.40959021  0.29890738
   0.32987893  0.16098463  0.66075974
   0.32618410  0.69057858  0.70029745
  -0.00124470  1.12901257  0.12786949
   0.20819454  1.07647834  0.02709408
   0.63159825  0.37012435  0.86744939
   0.90168992  0.48462918  0.63220401
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904891    0.517547   -0.079564
    -0.000000    9.704752   -0.030987
    -0.000000    0.000000   14.117704
   Si   O    H 
    32    64    10
Direct configuration=  1358
   0.15953159  0.18679724 -0.03967429
   0.36258585  0.08337889  0.37511345
   0.12802357  0.43121239  0.10132698
   0.36085994  0.34205983  0.24422764
   0.09227571  0.13761786  0.49168326
   0.41984917  0.14830191  0.84901446
   0.11057485  0.39668060  0.62114988
   0.36177346  0.38674873  0.74556428
   0.13513714  0.69437988 -0.00334555
   0.42238158  0.58677916  0.35603687
   0.06278907  0.90688682  0.14606642
   0.33281872  0.85017229  0.24778868
   0.18415271  0.66110381  0.49137399
   0.37709719  0.65150868  0.85467190
   0.06310289  0.91222386  0.62772192
   0.33441508  1.01414677  0.69298444
   0.63470663  0.15779645  1.01305961
   0.87035610  0.13121635  0.35232088
   0.60023739  0.43266726  0.11502802
   0.86625690  0.32428300  0.17169309
   0.62832445  0.18077246  0.49264400
   0.88565705  0.10680279  0.88317301
   0.58829452  0.44308859  0.62617472
   0.75323469  0.37228954  0.80927537
   0.61844544  0.68412431 -0.01505732
   0.93452548  0.58667626  0.38411565
   0.56430938  0.92083535  0.12663499
   0.81016247  0.84040482  0.26028663
   0.67094984  0.61679880  0.46410149
   0.87554083  0.61407043  0.89324240
   0.60939027  0.93151550  0.62982883
   0.82997383  0.84764557  0.76290632
   0.06668790  0.06601107  0.17080022
   0.35319977  0.17793409  0.27674287
   0.10468219  0.34017021  0.00475781
   0.33904522  0.45078640  0.33199719
   0.52071626  0.36631475  0.20386142
   0.27246250  0.38346363  0.14497854
   0.25023027  0.09441614  0.45788790
   0.01221583  0.17035756  0.39756065
   0.00960911  0.03808496  0.55385377
   0.46321591  0.25695106  0.77381240
   0.12916241  0.27179228  0.54526518
   0.34288681  0.49522667  0.83260739
   0.44004559  0.46394051  0.66795981
   0.21183309  0.36597021  0.71339712
   0.28632186  0.22298901 -0.10236225
   0.04270473  0.13467928  0.88949144
   0.10967369  0.59079914  0.07841232
   0.40562602  0.69779959  0.27252878
   0.10108170  0.85477486  0.04416238
   0.37883591  0.92492620  0.34203274
   0.40563550  0.89654984  0.15352938
   0.16933767  0.83629027  0.21589591
   0.34084591  0.64836343  0.45181932
   0.07445150  0.67030079  0.40430866
   0.17280426  0.52064998  0.55284517
   0.34759785  0.74252126  0.76129113
   0.15100664  0.78900326  0.56168520
   0.38417771  1.01490330  0.80050605
   0.44747185  0.93691247  0.61837530
   0.17458678  0.95394386  0.69952521
   0.28286601  0.70340401 -0.05125995
   0.02330109  0.66423760  0.91220077
   0.60217756  0.08729238  0.11919559
   0.83174795  0.21335282  0.25013552
   0.61755423  0.32289272  0.02977923
   0.96147496  0.43191499  0.35214864
   0.01311780  0.39727416  0.18483125
   0.75078357  0.44168478  0.16037256
   0.76514962  0.17636959  0.43503137
   0.50074870  0.12203275  0.43010884
   0.66598169  0.05826007  0.57374858
   0.81786754  0.21118284  0.79945104
   0.57411769  0.32856945  0.54149832
   0.87227920  0.44410868  0.86301910
   0.96035463  0.42823451  0.66631256
   0.70389010  0.42060401  0.70421364
   0.78941791  0.10951749  0.97854592
   0.53969062  0.11042541  0.92419460
   0.56144433  0.58480499  0.07103702
   0.85544320  0.68841074  0.30756482
   0.59724852  0.84923725  0.02440854
   0.84404876  0.96755565  0.34502116
   0.91637840  0.84940854  0.17543680
   0.65959458  0.85447976  0.21299845
   0.83489999  0.56028338  0.47320309
   0.58290288  0.54293781  0.38245325
   0.61988752  0.58725406  0.56587376
   0.82474600  0.69204827  0.79500600
   0.63877871  0.78004719  0.43351091
   0.89659869  0.94510015  0.84389594
   0.93537817  0.84181101  0.66701523
   0.66528604  0.91591936  0.74293643
   0.77544138  0.64704019  0.98425606
   0.53600457  0.66718818  0.88469250
   0.65486380  0.80410564  0.57491999
   0.68480028  0.85293935  0.45194356
   0.88990338  0.25711173  0.08193267
   1.02633942  0.41506863  0.29588481
   0.32901051  0.16169854  0.66162075
   0.31853405  0.69092217  0.70086106
   0.00940170  1.12631595  0.13594171
   0.20486249  1.07335918  0.03040102
   0.63342138  0.37558233  0.87250490
   0.89388048  0.48107349  0.63182069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905905    0.519342   -0.081507
    -0.000000    9.703756   -0.031800
    -0.000000    0.000000   14.115945
   Si   O    H 
    32    64    10
Direct configuration=  1359
   0.16180558  0.18698493 -0.03894100
   0.36509401  0.08388206  0.37456355
   0.12719517  0.43172818  0.10169111
   0.36031624  0.34203561  0.24504125
   0.09253162  0.13850789  0.49172133
   0.41977888  0.14836203  0.84860002
   0.10925526  0.39573723  0.62179392
   0.36306977  0.38698870  0.74629737
   0.13513803  0.69439365 -0.00322760
   0.42238155  0.58706766  0.35571704
   0.06272919  0.90643868  0.14639668
   0.33298905  0.84839916  0.24872182
   0.18579683  0.66075945  0.49086004
   0.37704357  0.65270277  0.85517725
   0.06377132  0.91273484  0.62771519
   0.33343564  1.01286995  0.69274871
   0.63554720  0.15855735  1.01297247
   0.86952753  0.13075012  0.35177603
   0.60130382  0.43272423  0.11484610
   0.86752291  0.32515648  0.17087073
   0.62737304  0.18032676  0.49342681
   0.88520285  0.10656061  0.88363383
   0.58865023  0.44439684  0.62690717
   0.75318011  0.37262523  0.80826993
   0.61895505  0.68488960 -0.01463965
   0.93482247  0.58720750  0.38389348
   0.56289104  0.92178771  0.12589155
   0.81182299  0.84137794  0.26031347
   0.67056284  0.61629028  0.46366236
   0.87442369  0.61498968  0.89345260
   0.60845717  0.93145519  0.62850112
   0.83157989  0.84867654  0.76255282
   0.06597513  0.06478325  0.17003274
   0.35388228  0.17920936  0.27712287
   0.10287304  0.33888362  0.00400524
   0.34025338  0.45194833  0.33056850
   0.52070959  0.36569376  0.20359375
   0.27364144  0.38212739  0.14657540
   0.25087447  0.09407726  0.45642932
   0.01219725  0.17094222  0.39711658
   0.01077589  0.03868969  0.55349339
   0.46530954  0.25628818  0.77391158
   0.12840682  0.27264058  0.54628153
   0.34209909  0.49853092  0.83224147
   0.44098956  0.46394531  0.66858092
   0.21205638  0.36499537  0.71273339
   0.28546538  0.22308839 -0.10228165
   0.04319652  0.13362347  0.88893617
   0.10816776  0.58949808  0.07950545
   0.40457570  0.69553930  0.27297927
   0.10019938  0.85416598  0.04364061
   0.37696638  0.92616090  0.34280006
   0.40561328  0.89724601  0.15235043
   0.17024622  0.83748071  0.21527245
   0.34171320  0.64789810  0.45055093
   0.07296011  0.67037642  0.40468829
   0.17232300  0.51879980  0.55322262
   0.34941717  0.74018711  0.76077819
   0.15141712  0.78738409  0.56281133
   0.38526052  1.01374123  0.80035057
   0.44672369  0.93542544  0.61767443
   0.17632016  0.95314839  0.69940227
   0.28233095  0.70171410 -0.04931073
   0.02171865  0.66457532  0.91257244
   0.60235672  0.08801808  0.11716490
   0.83369116  0.21317969  0.25165885
   0.61726732  0.32362871  0.02968184
   0.96224649  0.43118565  0.35118750
   0.01241836  0.39784652  0.18480928
   0.75037714  0.44073044  0.16107300
   0.76424388  0.17643411  0.43259438
   0.49892185  0.12217727  0.42978122
   0.66771359  0.06015777  0.57323975
   0.81672481  0.21083788  0.79949629
   0.57502874  0.32739886  0.54172890
   0.87246910  0.44477319  0.86388181
   0.96008554  0.42848414  0.66581545
   0.70310856  0.42002341  0.70345715
   0.78973979  0.10831704  0.97866570
   0.53990205  0.10956411  0.92435987
   0.56003063  0.58456800  0.06982078
   0.85618102  0.68864578  0.30891343
   0.59673753  0.84886420  0.02252742
   0.84408326  0.96871390  0.34581126
   0.91531312  0.85083590  0.17542557
   0.66006587  0.85345580  0.21324729
   0.83609203  0.56018605  0.47446387
   0.58291760  0.54211495  0.38223118
   0.61855991  0.58643848  0.56561242
   0.82346763  0.69320759  0.79416505
   0.63893313  0.77817631  0.43497744
   0.89539251  0.94451052  0.84328785
   0.93466563  0.84390969  0.66713167
   0.66413114  0.91561920  0.74388144
   0.77582366  0.64572631  0.98556102
   0.53662535  0.66667545  0.88515311
   0.65472059  0.79919001  0.57626890
   0.68836553  0.86212723  0.45243220
   0.88938955  0.26171044  0.08576370
   1.02439399  0.42087098  0.29378001
   0.32456849  0.15815401  0.66422104
   0.31430215  0.69473002  0.70799153
   0.01293863  1.12982294  0.13733682
   0.20094956  1.07301005  0.03316962
   0.63990330  0.38161664  0.87632115
   0.88334330  0.48226292  0.62790959
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906765    0.521085   -0.083123
    -0.000000    9.702840   -0.032579
    -0.000000    0.000000   14.114174
   Si   O    H 
    32    64    10
Direct configuration=  1360
   0.16319552  0.18673909 -0.03804594
   0.36731276  0.08524038  0.37389039
   0.12641717  0.43103173  0.10218266
   0.36025366  0.34147361  0.24573050
   0.09327191  0.13916397  0.49156576
   0.42008703  0.14888288  0.84874670
   0.10856361  0.39559447  0.62234968
   0.36445627  0.38675605  0.74712269
   0.13493791  0.69552522 -0.00332573
   0.42302752  0.58741096  0.35596007
   0.06159490  0.90600419  0.14665721
   0.33225636  0.84640886  0.25000795
   0.18752280  0.66085765  0.49043622
   0.37709009  0.65420097  0.85565840
   0.06460471  0.91361197  0.62739615
   0.33197424  1.01151245  0.69266881
   0.63563856  0.15889386  1.01279479
   0.86831692  0.13070477  0.35121613
   0.60215754  0.43281178  0.11478267
   0.86853245  0.32612903  0.17040500
   0.62663524  0.18019528  0.49378286
   0.88490578  0.10580695  0.88318035
   0.58876957  0.44549852  0.62709980
   0.75381065  0.37319813  0.80768790
   0.61929740  0.68545617 -0.01450948
   0.93568408  0.58763637  0.38400640
   0.56213396  0.92190309  0.12556857
   0.81301079  0.84164390  0.26016905
   0.67004505  0.61604462  0.46341560
   0.87387068  0.61505104  0.89362734
   0.60802151  0.93137386  0.62734767
   0.83316885  0.84955678  0.76179839
   0.06514426  0.06363294  0.16945120
   0.35430868  0.18068268  0.27731864
   0.10155979  0.33776504  0.00317366
   0.34177762  0.45243188  0.32896897
   0.52122600  0.36548021  0.20354195
   0.27472618  0.38132303  0.14778029
   0.25132294  0.09340631  0.45524094
   0.01219979  0.17134844  0.39752419
   0.01231755  0.03835102  0.55366963
   0.46731191  0.25574223  0.77419527
   0.12732971  0.27394558  0.54735057
   0.34073662  0.50214458  0.83166710
   0.44188896  0.46444902  0.66836106
   0.21154598  0.36429770  0.71176621
   0.28482398  0.22295725 -0.10284981
   0.04373796  0.13313182  0.88864359
   0.10631814  0.58864306  0.07997885
   0.40308171  0.69323424  0.27307515
   0.09912903  0.85243928  0.04331860
   0.37435905  0.92744104  0.34304341
   0.40600498  0.89859085  0.15066613
   0.17173444  0.83821614  0.21525370
   0.34198490  0.64821178  0.44926809
   0.07200889  0.67043512  0.40433469
   0.17114735  0.51799095  0.55353655
   0.35121364  0.73901948  0.76008859
   0.15135236  0.78564881  0.56385684
   0.38649546  1.01181314  0.79990613
   0.44509078  0.93441323  0.61732116
   0.17832441  0.95269346  0.69980222
   0.28177693  0.70059418 -0.04751487
   0.02059677  0.66520937  0.91374571
   0.60195885  0.08702179  0.11481596
   0.83551334  0.21358598  0.25309354
   0.61622911  0.32365202  0.02944596
   0.96404834  0.43028724  0.35057544
   0.01209472  0.39872101  0.18471754
   0.74943477  0.44082263  0.16142520
   0.76324076  0.17715268  0.43073268
   0.49760215  0.12217287  0.42961373
   0.66921073  0.06259402  0.57217607
   0.81474076  0.21033723  0.79974626
   0.57610836  0.32648321  0.54208124
   0.87265776  0.44639729  0.86490945
   0.95888898  0.42947610  0.66492723
   0.70250268  0.41954895  0.70248156
   0.78970874  0.10644500  0.97921843
   0.53963772  0.10941632  0.92509799
   0.55902489  0.58409284  0.06816039
   0.85617940  0.68875275  0.31008717
   0.59568152  0.84824607  0.02044184
   0.84362701  0.96848865  0.34644117
   0.91389275  0.85261570  0.17538896
   0.66104884  0.85236090  0.21319546
   0.83687514  0.56013788  0.47513846
   0.58243878  0.54205023  0.38242136
   0.61672085  0.58562729  0.56663949
   0.82311767  0.69315979  0.79309244
   0.63870902  0.77639185  0.43626312
   0.89348750  0.94481976  0.84221218
   0.93346969  0.84529986  0.66798667
   0.66305650  0.91551189  0.74439250
   0.77675380  0.64423106  0.98644558
   0.53726337  0.66560520  0.88532401
   0.65213653  0.79991777  0.58355903
   0.69049670  0.86045109  0.44813015
   0.89035242  0.26171092  0.08300941
   1.01911737  0.42476372  0.29523621
   0.32032502  0.15347095  0.66528321
   0.31083768  0.69783472  0.71212739
   0.01110989  1.13952342  0.13480971
   0.19222379  1.07735830  0.03407447
   0.64675299  0.38890544  0.87937792
   0.88144174  0.47748639  0.62482171
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907871    0.523086   -0.084496
    -0.000000    9.702530   -0.033262
    -0.000000    0.000000   14.112169
   Si   O    H 
    32    64    10
Direct configuration=  1361
   0.16367865  0.18610582 -0.03712693
   0.36967194  0.08605532  0.37326079
   0.12516640  0.42979233  0.10258395
   0.36038031  0.34026640  0.24607703
   0.09450989  0.13940542  0.49140541
   0.42063356  0.14936690  0.84930560
   0.10868664  0.39495348  0.62240070
   0.36476428  0.38682834  0.74837494
   0.13446766  0.69726034 -0.00335551
   0.42384662  0.58806636  0.35630276
   0.06046727  0.90588378  0.14703024
   0.33143921  0.84464136  0.25088497
   0.18946569  0.66037677  0.49000385
   0.37763932  0.65580786  0.85620675
   0.06561295  0.91443617  0.62659489
   0.33067610  1.01042162  0.69245588
   0.63599526  0.15831489  1.01224739
   0.86733513  0.13111675  0.35099192
   0.60300250  0.43281760  0.11428873
   0.86946353  0.32679384  0.17010151
   0.62582044  0.17978514  0.49435570
   0.88432233  0.10577708  0.88305065
   0.58923209  0.44640948  0.62658402
   0.75460210  0.37374246  0.80746060
   0.61873508  0.68589512 -0.01436777
   0.93623241  0.58768813  0.38419001
   0.56178961  0.92210324  0.12524174
   0.81458867  0.84144083  0.26063208
   0.66973289  0.61556174  0.46344722
   0.87346570  0.61551350  0.89371700
   0.60806335  0.93130002  0.62654086
   0.83474953  0.84945930  0.76073011
   0.06445483  0.06319512  0.16867263
   0.35403683  0.18223350  0.27709997
   0.10082093  0.33681044  0.00248931
   0.34286702  0.45334517  0.32803904
   0.52111396  0.36466203  0.20375758
   0.27545241  0.38053585  0.14879733
   0.25175280  0.09219486  0.45412300
   0.01215198  0.17065101  0.39758752
   0.01383735  0.03765984  0.55347952
   0.46858081  0.25527893  0.77416743
   0.12593272  0.27494977  0.54844543
   0.33930624  0.50516271  0.83092482
   0.44219923  0.46525349  0.66824172
   0.21071272  0.36337451  0.71057187
   0.28475255  0.22296746 -0.10365466
   0.04455815  0.13293250  0.88866877
   0.10571010  0.58793881  0.08073640
   0.40116806  0.69172935  0.27273461
   0.09750960  0.85080513  0.04240495
   0.37216475  0.92886583  0.34320704
   0.40646054  0.89993912  0.14942252
   0.17295782  0.83952211  0.21543198
   0.34279392  0.64804912  0.44807977
   0.07154522  0.67061950  0.40339108
   0.17033683  0.51744569  0.55337099
   0.35399826  0.73790761  0.75991392
   0.15067976  0.78382676  0.56483887
   0.38841055  1.00937204  0.79936485
   0.44326805  0.93474411  0.61685289
   0.18028359  0.95225184  0.70032503
   0.28106182  0.69880264 -0.04600251
   0.02016597  0.66619491  0.91510176
   0.60179696  0.08545297  0.11282335
   0.83656210  0.21450370  0.25417577
   0.61514796  0.32368501  0.02918551
   0.96566500  0.43036464  0.35111802
   0.01149852  0.39955486  0.18482961
   0.74865965  0.44022905  0.16145594
   0.76096317  0.17852739  0.42888019
   0.49716781  0.12231820  0.42926265
   0.67044259  0.06396826  0.57190986
   0.81374725  0.21042921  0.79971183
   0.57805567  0.32439027  0.54244394
   0.87370759  0.44862704  0.86627332
   0.95594908  0.43032944  0.66446942
   0.70264255  0.41860911  0.70179465
   0.78929593  0.10554304  0.97952852
   0.53975883  0.10976804  0.92549174
   0.55785924  0.58337544  0.06654665
   0.85552441  0.68923118  0.31159368
   0.59442509  0.84804934  0.01922895
   0.84342899  0.96753889  0.34669345
   0.91243578  0.85402916  0.17506283
   0.66272427  0.85247625  0.21311965
   0.83812607  0.56019912  0.47571282
   0.58232034  0.54238611  0.38279256
   0.61495811  0.58427084  0.56808828
   0.82218784  0.69319303  0.79236576
   0.63913508  0.77592412  0.43745740
   0.89172066  0.94486702  0.84135265
   0.93070675  0.84643836  0.66937829
   0.66269047  0.91573628  0.74455950
   0.77772339  0.64388187  0.98751862
   0.53684394  0.66535640  0.88585357
   0.65236066  0.80196860  0.58899077
   0.68930347  0.85191604  0.44563529
   0.89044088  0.25561388  0.07520580
   1.01774000  0.42818030  0.29562095
   0.31490253  0.15319574  0.66427327
   0.29357035  0.69322834  0.70714247
   0.01321969  1.14115843  0.13615563
   0.18614153  1.08596046  0.03431944
   0.65085084  0.39582595  0.87953477
   0.88723820  0.46802686  0.62607949
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909080    0.524178   -0.085624
    -0.000000    9.702053   -0.034366
    -0.000000    0.000000   14.110262
   Si   O    H 
    32    64    10
Direct configuration=  1362
   0.16428828  0.18534569 -0.03649690
   0.37133998  0.08703329  0.37265816
   0.12409582  0.42897799  0.10282427
   0.36171626  0.33927112  0.24606332
   0.09616352  0.13965519  0.49033573
   0.42096627  0.14918965  0.84988280
   0.10908106  0.39482382  0.62253067
   0.36475188  0.38706946  0.74938218
   0.13349779  0.69856715 -0.00298120
   0.42412607  0.58849625  0.35663305
   0.05932167  0.90568403  0.14770345
   0.33055242  0.84280191  0.25129094
   0.19082443  0.66004287  0.48980159
   0.37822571  0.65725912  0.85690948
   0.06671732  0.91443531  0.62566371
   0.32943546  1.00895533  0.69184977
   0.63618012  0.15805771  1.01196228
   0.86614508  0.13182882  0.35065392
   0.60384397  0.43360646  0.11384928
   0.87052039  0.32693714  0.16947146
   0.62489500  0.17915560  0.49444614
   0.88347981  0.10556996  0.88277008
   0.58903264  0.44744148  0.62569163
   0.75469750  0.37330782  0.80702165
   0.61846100  0.68584288 -0.01413115
   0.93687323  0.58792676  0.38464959
   0.56190501  0.92240260  0.12534890
   0.81614984  0.84160857  0.26130579
   0.66980500  0.61494052  0.46339644
   0.87324235  0.61565121  0.89320148
   0.60773894  0.93170985  0.62624109
   0.83578138  0.85001535  0.75924139
   0.06345133  0.06367954  0.16746942
   0.35349448  0.18366992  0.27642277
   0.09981541  0.33603117  0.00171019
   0.34375303  0.45392566  0.32712024
   0.52088591  0.36437399  0.20402194
   0.27640616  0.37950755  0.14962834
   0.25177509  0.09075531  0.45366539
   0.01228857  0.17014256  0.39701673
   0.01484463  0.03720135  0.55380680
   0.47004182  0.25680641  0.77388599
   0.12402191  0.27581025  0.55024879
   0.33819051  0.50748843  0.83013291
   0.44292212  0.46616320  0.66852014
   0.21005214  0.36252982  0.70995071
   0.28565811  0.22252692 -0.10450119
   0.04541880  0.13309587  0.88888876
   0.10541157  0.58693808  0.08141145
   0.39987138  0.69042608  0.27252722
   0.09651998  0.84871174  0.04131261
   0.36975795  0.92926901  0.34376356
   0.40738236  0.90094199  0.14805061
   0.17561586  0.84011973  0.21580869
   0.34376383  0.64812846  0.44759845
   0.07126916  0.67103444  0.40281170
   0.17014134  0.51754612  0.55302203
   0.35472988  0.73726524  0.75962991
   0.15056578  0.78181071  0.56596522
   0.38970588  1.00727270  0.79879776
   0.44136549  0.93545839  0.61649683
   0.18247276  0.95138237  0.70066313
   0.28172060  0.69746874 -0.04533269
   0.01959411  0.66707093  0.91596483
   0.60224082  0.08338171  0.11060990
   0.83825923  0.21519635  0.25525818
   0.61328260  0.32333336  0.02873747
   0.96691175  0.43034218  0.35108780
   0.01156608  0.40025090  0.18458707
   0.74842906  0.44069895  0.16125447
   0.75843725  0.18038705  0.42740319
   0.49749423  0.12289242  0.42928153
   0.67140535  0.06411480  0.57220893
   0.81339398  0.21074320  0.79969719
   0.57987281  0.32150982  0.54285535
   0.87461502  0.45048028  0.86760665
   0.95375538  0.43028181  0.66412421
   0.70350277  0.41730207  0.70150510
   0.78851339  0.10427549  0.97992591
   0.53892676  0.11080237  0.92610532
   0.55647479  0.58294143  0.06494470
   0.85478362  0.69009618  0.31356101
   0.59383609  0.84743969  0.01857229
   0.84357338  0.96689845  0.34648494
   0.91239115  0.85547697  0.17516655
   0.66344286  0.85235973  0.21308168
   0.83921288  0.56135882  0.47594996
   0.58122296  0.54278031  0.38297413
   0.61341070  0.58359661  0.56922475
   0.82127521  0.69237011  0.79258518
   0.63916441  0.77420255  0.43818373
   0.89064559  0.94445995  0.84100589
   0.92802689  0.84808240  0.67016736
   0.66296621  0.91673308  0.74404568
   0.77883585  0.64297121  0.98872946
   0.53585799  0.66508892  0.88697407
   0.65691370  0.80282116  0.59142982
   0.69341146  0.85609773  0.44523520
   0.89218070  0.24961567  0.07090175
   1.02046461  0.42761162  0.28994243
   0.30993337  0.15403677  0.66172375
   0.28612313  0.69472027  0.70866114
   0.01697457  1.13795240  0.13967362
   0.18077805  1.09232476  0.03493841
   0.65352131  0.39627548  0.87604443
   0.88398110  0.46404677  0.62145836
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910260    0.525044   -0.086567
    -0.000000    9.701869   -0.035356
    -0.000000    0.000000   14.108106
   Si   O    H 
    32    64    10
Direct configuration=  1363
   0.16434951  0.18446968 -0.03615741
   0.37259909  0.08823512  0.37203916
   0.12318889  0.42838682  0.10320628
   0.36338936  0.33862597  0.24631745
   0.09813121  0.14001941  0.48952549
   0.42168692  0.14850949  0.85093459
   0.10955584  0.39515817  0.62273683
   0.36470570  0.38724121  0.75039087
   0.13264680  0.70033450 -0.00242836
   0.42418638  0.58856336  0.35703741
   0.05890609  0.90510623  0.14849894
   0.33020234  0.84105244  0.25132853
   0.19167901  0.65990340  0.48973392
   0.37850665  0.65847376  0.85769570
   0.06830318  0.91410110  0.62458754
   0.32911132  1.00837027  0.69111560
   0.63611628  0.15801556  1.01183282
   0.86514358  0.13341056  0.35030723
   0.60455317  0.43472045  0.11332209
   0.87114986  0.32675692  0.16838417
   0.62382948  0.17823710  0.49452300
   0.88261689  0.10555852  0.88250453
   0.58843070  0.44797325  0.62468447
   0.75485661  0.37296112  0.80640782
   0.61800969  0.68610346 -0.01380232
   0.93778290  0.58793998  0.38508221
   0.56180475  0.92283351  0.12534940
   0.81721240  0.84155047  0.26218931
   0.66966828  0.61429484  0.46321341
   0.87334225  0.61565164  0.89275358
   0.60766616  0.93267690  0.62666180
   0.83618816  0.85050893  0.75790034
   0.06312533  0.06319352  0.16682356
   0.35327442  0.18469873  0.27555469
   0.09926082  0.33544141  0.00128138
   0.34418570  0.45414087  0.32597461
   0.52075890  0.36433516  0.20460089
   0.27683527  0.37925972  0.15029002
   0.25124431  0.08991780  0.45325850
   0.01334063  0.16974988  0.39616605
   0.01526305  0.03667890  0.55417231
   0.47155314  0.25849532  0.77376798
   0.12263887  0.27508700  0.55212822
   0.33684397  0.50842356  0.83008582
   0.44379986  0.46804663  0.66883305
   0.20972496  0.36153257  0.70972789
   0.28679833  0.22195856 -0.10509233
   0.04583843  0.13391875  0.88897103
   0.10519964  0.58635962  0.08185650
   0.39900235  0.68901012  0.27213397
   0.09523015  0.84707643  0.03968152
   0.36758481  0.92986424  0.34383937
   0.40763139  0.90086842  0.14686223
   0.17895208  0.84048880  0.21594017
   0.34450475  0.64840080  0.44686864
   0.07145342  0.67084682  0.40206843
   0.17041917  0.51724833  0.55252832
   0.35561630  0.73696400  0.75885211
   0.15019942  0.77973902  0.56683225
   0.39054758  1.00522394  0.79822137
   0.43965041  0.93637906  0.61631297
   0.18343662  0.94995003  0.70092543
   0.28217170  0.69584704 -0.04501440
   0.01934694  0.66753945  0.91664835
   0.60315214  0.08156364  0.10869449
   0.83945670  0.21633282  0.25598288
   0.61147012  0.32240801  0.02830519
   0.96854530  0.43030079  0.35071219
   0.01224014  0.40113409  0.18434557
   0.74901691  0.44116427  0.16168895
   0.75579584  0.18230818  0.42551503
   0.49898866  0.12454069  0.42930374
   0.67170226  0.06374010  0.57210188
   0.81266941  0.21094624  0.79966513
   0.58157372  0.31849425  0.54367222
   0.87572193  0.45154271  0.86909452
   0.95234625  0.42931926  0.66427578
   0.70441505  0.41588976  0.70157362
   0.78809438  0.10311038  0.98026796
   0.53853050  0.11193471  0.92688823
   0.55566532  0.58147892  0.06410635
   0.85348608  0.69124486  0.31468147
   0.59380988  0.84668669  0.01811346
   0.84423657  0.96517418  0.34637712
   0.91248741  0.85597274  0.17541918
   0.66382577  0.85239909  0.21266854
   0.83961671  0.56298356  0.47563972
   0.57998606  0.54358342  0.38267124
   0.61207316  0.58334830  0.57028838
   0.82070449  0.69093304  0.79294531
   0.63940723  0.77257618  0.43894604
   0.88909737  0.94410741  0.84096332
   0.92557509  0.84989196  0.67056635
   0.66368166  0.91763220  0.74355275
   0.77947280  0.64244678  0.98962023
   0.53506559  0.66504030  0.88785637
   0.66225632  0.79947689  0.59080770
   0.69639413  0.85593830  0.44664750
   0.89223372  0.24750961  0.07604294
   1.02399193  0.42738734  0.28521967
   0.30634745  0.15036845  0.65828565
   0.28673350  0.70059537  0.71820504
   0.01307832  1.14524693  0.13845256
   0.18355557  1.09036600  0.03912802
   0.64809497  0.39387307  0.87373812
   0.88233920  0.46110434  0.61774865
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911065    0.526334   -0.088031
    -0.000000    9.701683   -0.036274
    -0.000000    0.000000   14.105275
   Si   O    H 
    32    64    10
Direct configuration=  1364
   0.16450519  0.18393038 -0.03637786
   0.37324833  0.08867869  0.37160974
   0.12231527  0.42777046  0.10374945
   0.36525476  0.33870527  0.24625251
   0.10040615  0.14009708  0.48891481
   0.42306377  0.14767551  0.85190765
   0.10987939  0.39572641  0.62285449
   0.36369013  0.38742322  0.75162441
   0.13190732  0.70157863 -0.00166694
   0.42435351  0.58773894  0.35749268
   0.05872920  0.90401375  0.14925930
   0.33063183  0.83897762  0.25125396
   0.19240004  0.65904801  0.48973955
   0.37829539  0.66020364  0.85905092
   0.06953627  0.91356380  0.62331251
   0.32887900  1.00816117  0.69078241
   0.63564381  0.15785363  1.01164259
   0.86397361  0.13456203  0.35012050
   0.60509685  0.43624193  0.11283909
   0.87186957  0.32630582  0.16752651
   0.62305559  0.17695686  0.49464493
   0.88117793  0.10528292  0.88222770
   0.58818826  0.44822836  0.62345894
   0.75512778  0.37201189  0.80588865
   0.61772361  0.68654296 -0.01328790
   0.93921297  0.58742071  0.38518168
   0.56191083  0.92303646  0.12489786
   0.81842964  0.84079001  0.26337884
   0.66994624  0.61394158  0.46327095
   0.87346870  0.61465788  0.89235574
   0.60813888  0.93301876  0.62702679
   0.83632340  0.85072170  0.75692200
   0.06322069  0.06356054  0.16613171
   0.35341104  0.18469057  0.27510727
   0.09885570  0.33489118  0.00097203
   0.34457664  0.45382329  0.32476872
   0.52189068  0.36466445  0.20552038
   0.27706699  0.37964094  0.15078781
   0.25062952  0.08943608  0.45274192
   0.01448794  0.16881643  0.39558865
   0.01567651  0.03575735  0.55440453
   0.47235536  0.26080584  0.77320122
   0.12148230  0.27327739  0.55310474
   0.33609201  0.50895361  0.83068427
   0.44431224  0.46982499  0.66875427
   0.21079634  0.36108446  0.70964361
   0.28961254  0.22095109 -0.10558365
   0.04593085  0.13489192  0.88958187
   0.10546871  0.58610301  0.08179996
   0.39801149  0.68806783  0.27146345
   0.09395682  0.84550107  0.03859411
   0.36583688  0.92981957  0.34426749
   0.40722348  0.90031847  0.14598835
   0.18135930  0.84020773  0.21594511
   0.34401334  0.64908519  0.44650145
   0.07233927  0.67105728  0.40160609
   0.17009652  0.51734317  0.55232350
   0.35527316  0.73809590  0.75771670
   0.14961943  0.77883798  0.56763345
   0.39133008  1.00317812  0.79804079
   0.43820805  0.93789087  0.61617831
   0.18365585  0.94876939  0.70128576
   0.28347314  0.69530326 -0.04511105
   0.01928534  0.66862711  0.91626926
   0.60429656  0.08063408  0.10742625
   0.84080000  0.21836012  0.25588124
   0.60965123  0.32169873  0.02822765
   0.97006670  0.43120059  0.34986464
   0.01278034  0.40149189  0.18418615
   0.74958671  0.44157714  0.16235118
   0.75314393  0.18447045  0.42388005
   0.50127481  0.12597795  0.42936883
   0.67149830  0.06339103  0.57252987
   0.81161094  0.21171608  0.80056223
   0.58280617  0.31604457  0.54438894
   0.87642243  0.45169454  0.86997118
   0.95117451  0.42812439  0.66464985
   0.70525910  0.41441415  0.70164693
   0.78783013  0.10164998  0.98101254
   0.53792197  0.11307821  0.92796132
   0.55455499  0.58031097  0.06406113
   0.85205340  0.69286182  0.31553274
   0.59407040  0.84612325  0.01815539
   0.84578844  0.96384151  0.34588648
   0.91259630  0.85637914  0.17542303
   0.66411099  0.85183181  0.21167443
   0.83879719  0.56483187  0.47587379
   0.57865529  0.54415006  0.38250607
   0.60998121  0.58397643  0.57129853
   0.82043264  0.68952738  0.79364925
   0.63988620  0.77259128  0.43968298
   0.88775654  0.94380159  0.84128233
   0.92309513  0.85141650  0.66988038
   0.66437908  0.91843257  0.74242148
   0.78054799  0.64209126  0.99009305
   0.53399791  0.66517437  0.88832696
   0.66645685  0.79936268  0.58846515
   0.69689362  0.84570122  0.44749828
   0.89332191  0.24612190  0.08438725
   1.01880457  0.42734786  0.28665630
   0.30573822  0.14462700  0.65262381
   0.28795074  0.70745392  0.72550492
   0.01152077  1.14764751  0.13936903
   0.19210509  1.08772236  0.04415868
   0.64088855  0.39344076  0.87204095
   0.88478336  0.45619014  0.61462917
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912003    0.527670   -0.089156
    -0.000000    9.701685   -0.037113
    -0.000000    0.000000   14.102461
   Si   O    H 
    32    64    10
Direct configuration=  1365
   0.16368240  0.18363337 -0.03704756
   0.37396364  0.08926169  0.37157154
   0.12139353  0.42678095  0.10431153
   0.36717215  0.33895061  0.24593657
   0.10259924  0.13992146  0.48843860
   0.42452862  0.14652640  0.85257068
   0.11054964  0.39720142  0.62306241
   0.36252529  0.38836583  0.75250534
   0.13153900  0.70234363 -0.00131939
   0.42393053  0.58721458  0.35777923
   0.05837641  0.90367406  0.14967730
   0.33194227  0.83749413  0.25091827
   0.19276407  0.65835401  0.49009251
   0.37820335  0.66150333  0.85979388
   0.07036608  0.91263403  0.62212597
   0.32894418  1.00795217  0.69060130
   0.63541432  0.15726966  1.01113442
   0.86319302  0.13573724  0.35017711
   0.60504503  0.43690366  0.11273565
   0.87234343  0.32566578  0.16718790
   0.62237717  0.17505237  0.49481304
   0.87975588  0.10567859  0.88161908
   0.58825737  0.44781000  0.62260089
   0.75538102  0.37180050  0.80555187
   0.61757647  0.68663052 -0.01287583
   0.94029770  0.58618051  0.38507066
   0.56216441  0.92275156  0.12455291
   0.81942492  0.84020848  0.26462309
   0.67015351  0.61357287  0.46380345
   0.87360156  0.61416009  0.89157535
   0.60907872  0.93331925  0.62765316
   0.83595501  0.85028400  0.75606708
   0.06330138  0.06448478  0.16557932
   0.35307034  0.18433022  0.27467768
   0.09921918  0.33519006  0.00110762
   0.34372203  0.45356276  0.32391968
   0.52309389  0.36540924  0.20628669
   0.27618780  0.37903942  0.15206091
   0.25011239  0.08927844  0.45204447
   0.01500380  0.16787936  0.39530394
   0.01599349  0.03450942  0.55433701
   0.47225010  0.26322635  0.77320884
   0.12075584  0.27086889  0.55314388
   0.33523054  0.50837803  0.83196463
   0.44443887  0.47091701  0.66915461
   0.21138706  0.36036181  0.70991404
   0.29242916  0.22108372 -0.10578854
   0.04550152  0.13642573  0.88976162
   0.10563478  0.58571211  0.08153126
   0.39752389  0.68757019  0.26998160
   0.09274980  0.84499503  0.03832319
   0.36493577  0.92917694  0.34384987
   0.40604330  0.89950731  0.14558640
   0.18322810  0.83979968  0.21573697
   0.34389322  0.65024336  0.44633406
   0.07406101  0.67146384  0.40111018
   0.17006407  0.51633441  0.55254981
   0.35575953  0.73942349  0.75679974
   0.14907058  0.77857896  0.56884160
   0.39241389  1.00150345  0.79854503
   0.43748790  0.93903811  0.61556879
   0.18353534  0.94777913  0.70198028
   0.28517494  0.69463493 -0.04474346
   0.01920604  0.66920670  0.91650085
   0.60507847  0.07905618  0.10628164
   0.84188334  0.22078865  0.25539374
   0.60779623  0.32103323  0.02800439
   0.97144091  0.43175751  0.34881841
   0.01365624  0.40170910  0.18467194
   0.75059759  0.44212918  0.16321790
   0.75066017  0.18687208  0.42256775
   0.50281478  0.12702746  0.42903232
   0.67137053  0.06271242  0.57281450
   0.81099307  0.21199739  0.80171049
   0.58368484  0.31512052  0.54479435
   0.87648509  0.45191049  0.87052119
   0.95023861  0.42691359  0.66488321
   0.70687531  0.41342681  0.70198542
   0.78721238  0.10189422  0.98232009
   0.53787298  0.11461737  0.92856604
   0.55392261  0.57925165  0.06396394
   0.85085689  0.69547169  0.31614656
   0.59445326  0.84573419  0.01836331
   0.84828452  0.96238381  0.34541048
   0.91283806  0.85679081  0.17537013
   0.66444451  0.85126127  0.21046404
   0.83695978  0.56683004  0.47570788
   0.57771142  0.54525015  0.38190620
   0.60831723  0.58576508  0.57204424
   0.82023688  0.68854945  0.79459510
   0.64035290  0.77228373  0.44015764
   0.88673955  0.94316750  0.84146417
   0.92237645  0.85280031  0.66870919
   0.66542531  0.91889967  0.74079260
   0.78167616  0.64160394  0.99017251
   0.53290566  0.66508355  0.88862961
   0.66947304  0.80110127  0.58704580
   0.70499452  0.84467664  0.44928237
   0.89712536  0.24252130  0.09176541
   1.01098888  0.42577625  0.28984213
   0.30193076  0.14168485  0.64642986
   0.27145624  0.70570395  0.72434640
   0.01398171  1.14071809  0.14310658
   0.20122447  1.08532990  0.04596481
   0.63745425  0.39484029  0.87150387
   0.88957398  0.44849385  0.61430056
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912833    0.528568   -0.089849
    -0.000000    9.702203   -0.037996
    -0.000000    0.000000   14.100272
   Si   O    H 
    32    64    10
Direct configuration=  1366
   0.16310030  0.18400726 -0.03782866
   0.37355414  0.09005007  0.37155327
   0.12125863  0.42584583  0.10506589
   0.36946946  0.33920756  0.24556829
   0.10484497  0.14015746  0.48765882
   0.42604120  0.14541491  0.85294297
   0.11097416  0.39880794  0.62314371
   0.36110229  0.38923862  0.75302575
   0.13065415  0.70210546 -0.00096189
   0.42458517  0.58595181  0.35791390
   0.05772019  0.90317372  0.15003300
   0.33423787  0.83573257  0.25027241
   0.19274139  0.65696494  0.49079913
   0.37838587  0.66190854  0.86063994
   0.07028988  0.91149757  0.62108497
   0.32885541  1.00833221  0.69067878
   0.63567061  0.15636318  1.01019133
   0.86298527  0.13698384  0.35008185
   0.60459323  0.43702348  0.11275827
   0.87304389  0.32559780  0.16703414
   0.62099122  0.17365782  0.49490335
   0.87890037  0.10587981  0.88094580
   0.58785835  0.44638571  0.62193149
   0.75563857  0.37254525  0.80518062
   0.61771058  0.68635758 -0.01196989
   0.94101699  0.58521738  0.38459112
   0.56287554  0.92219714  0.12415629
   0.82004926  0.83999228  0.26540639
   0.67066293  0.61257746  0.46447017
   0.87341414  0.61460052  0.89097617
   0.60974870  0.93377170  0.62844427
   0.83539056  0.85087401  0.75565237
   0.06382924  0.06459667  0.16589755
   0.35229913  0.18323904  0.27495823
   0.09964294  0.33483308  0.00170486
   0.34225464  0.45382961  0.32392793
   0.52340786  0.36603095  0.20669438
   0.27437816  0.37968534  0.15286177
   0.24969937  0.08981487  0.45152396
   0.01520452  0.16659131  0.39466101
   0.01638353  0.03367577  0.55428184
   0.47146389  0.26525100  0.77299799
   0.11977053  0.26806507  0.55327721
   0.33484475  0.50740097  0.83284159
   0.44425495  0.47126439  0.67006241
   0.21162439  0.35941560  0.71024909
   0.29512638  0.22127061 -0.10577037
   0.04447578  0.13729508  0.88973897
   0.10604225  0.58444998  0.08076680
   0.39643466  0.68705471  0.26854774
   0.09117320  0.84488365  0.03905402
   0.36407868  0.92835874  0.34320007
   0.40524855  0.89823089  0.14568243
   0.18406405  0.84018465  0.21593232
   0.34283454  0.65164992  0.44654187
   0.07622084  0.67197717  0.40108632
   0.17003263  0.51635295  0.55333040
   0.35601303  0.74043573  0.75653141
   0.14790566  0.77789542  0.56930856
   0.39357588  1.00006342  0.79857603
   0.43845327  0.93993472  0.61445261
   0.18295761  0.94670584  0.70264521
   0.28620524  0.69418279 -0.04447483
   0.01964201  0.66977390  0.91641051
   0.60504522  0.07774931  0.10614260
   0.84286524  0.22334971  0.25406159
   0.60600003  0.32107735  0.02840485
   0.97259965  0.43275197  0.34889133
   0.01470642  0.40273464  0.18532209
   0.75272069  0.44247548  0.16463107
   0.74862074  0.18862894  0.42171401
   0.50362413  0.12852624  0.42882545
   0.67039592  0.06238946  0.57375487
   0.81049017  0.21192270  0.80281093
   0.58404768  0.31545634  0.54471712
   0.87609225  0.45255639  0.87112299
   0.95005184  0.42555986  0.66493792
   0.70792731  0.41254374  0.70200061
   0.78728618  0.10242652  0.98327301
   0.53786128  0.11542323  0.92843769
   0.55424965  0.57844411  0.06413797
   0.84950144  0.69794526  0.31642124
   0.59516514  0.84509780  0.01883897
   0.85124467  0.96130796  0.34516535
   0.91360453  0.85663607  0.17532395
   0.66467502  0.85011993  0.20945509
   0.83364015  0.56843917  0.47534275
   0.57665748  0.54606057  0.38130778
   0.60729528  0.58869429  0.57225768
   0.82030552  0.68806711  0.79511986
   0.64116386  0.77261029  0.44075764
   0.88597941  0.94306617  0.84204386
   0.92205195  0.85524565  0.66689175
   0.66716936  0.91889981  0.73899801
   0.78314821  0.64118044  0.98964805
   0.53261888  0.66542299  0.88916400
   0.67169261  0.81030386  0.58662447
   0.70937883  0.83953318  0.44900489
   0.90159671  0.23244738  0.09499324
   1.01104620  0.42330124  0.28634824
   0.29994367  0.14091894  0.64017437
   0.26281729  0.70873977  0.72511491
   0.01266347  1.14270518  0.14360833
   0.20884010  1.08850284  0.04369647
   0.63678694  0.39480944  0.87059722
   0.89125239  0.43880116  0.61177133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913554    0.529641   -0.089947
    -0.000000    9.702816   -0.038118
    -0.000000    0.000000   14.098168
   Si   O    H 
    32    64    10
Direct configuration=  1367
   0.16274840  0.18380051 -0.03852804
   0.37260676  0.09110119  0.37143457
   0.12169552  0.42481935  0.10597496
   0.37152611  0.33962595  0.24486835
   0.10673042  0.13958549  0.48728581
   0.42787562  0.14458535  0.85292943
   0.11080366  0.39995135  0.62292297
   0.35951854  0.39059007  0.75352360
   0.13010804  0.70130608 -0.00080721
   0.42498742  0.58405227  0.35823325
   0.05752511  0.90262988  0.15005514
   0.33716890  0.83406964  0.24902253
   0.19285278  0.65518852  0.49101266
   0.37877153  0.66154194  0.86128199
   0.06968742  0.91013462  0.62022886
   0.32883541  1.00823793  0.69096091
   0.63641533  0.15545485  1.00959370
   0.86273535  0.13783041  0.35005770
   0.60405423  0.43712183  0.11327389
   0.87380266  0.32535096  0.16715084
   0.62125072  0.17228843  0.49498730
   0.87793664  0.10634334  0.88062859
   0.58785242  0.44567309  0.62145362
   0.75611397  0.37330101  0.80529535
   0.61769463  0.68591134 -0.01110189
   0.94206212  0.58466113  0.38397543
   0.56465294  0.92187091  0.12383001
   0.82058001  0.83980624  0.26607213
   0.67155448  0.61173128  0.46512794
   0.87287404  0.61502322  0.89047745
   0.61049860  0.93429160  0.62941816
   0.83478514  0.85200867  0.75516799
   0.06445665  0.06444409  0.16636214
   0.35125541  0.18147597  0.27500381
   0.09980017  0.33516845  0.00303963
   0.34032509  0.45434059  0.32371468
   0.52410481  0.36692457  0.20725905
   0.27222319  0.38018982  0.15378355
   0.24959035  0.09036819  0.45100472
   0.01482972  0.16530867  0.39403380
   0.01779597  0.03310172  0.55423858
   0.47000583  0.26632582  0.77268343
   0.11852780  0.26625309  0.55327648
   0.33394500  0.50655040  0.83375121
   0.44367537  0.47109667  0.67048970
   0.21145416  0.35940663  0.71088242
   0.29654585  0.22158989 -0.10547996
   0.04331024  0.13788443  0.89003097
   0.10640104  0.58337426  0.07942047
   0.39578722  0.68557452  0.26745906
   0.08992843  0.84531838  0.04072414
   0.36361850  0.92793415  0.34271385
   0.40485152  0.89775431  0.14547972
   0.18479921  0.84012518  0.21659951
   0.34176092  0.65259896  0.44663692
   0.07819345  0.67280012  0.40159452
   0.17043310  0.51621180  0.55391952
   0.35539746  0.74194479  0.75623370
   0.14719925  0.77690602  0.56925187
   0.39437523  0.99970215  0.79879306
   0.43998245  0.94062001  0.61368118
   0.18265656  0.94578128  0.70347101
   0.28636680  0.69319559 -0.04451822
   0.01993539  0.67034549  0.91664699
   0.60489791  0.07642949  0.10588395
   0.84400015  0.22523252  0.25253539
   0.60472912  0.32133685  0.02821446
   0.97407921  0.43412482  0.34953499
   0.01595353  0.40268382  0.18604473
   0.75445467  0.44298434  0.16577515
   0.74651091  0.19031974  0.42083294
   0.50493063  0.13042968  0.42911893
   0.66905186  0.06143044  0.57415552
   0.80858785  0.21201643  0.80415318
   0.58451736  0.31676573  0.54500832
   0.87567042  0.45243179  0.87163514
   0.95121403  0.42430124  0.66515021
   0.70854302  0.41272997  0.70159063
   0.78843672  0.10372184  0.98402688
   0.53759437  0.11660794  0.92813332
   0.55423092  0.57733557  0.06468611
   0.84847762  0.69943642  0.31688477
   0.59636187  0.84500130  0.01969072
   0.85296498  0.96089954  0.34451976
   0.91423969  0.85673191  0.17496287
   0.66488752  0.84994951  0.20892344
   0.83101297  0.57010932  0.47460580
   0.57637844  0.54653034  0.38074244
   0.60593684  0.59138206  0.57225716
   0.82004934  0.68874466  0.79526212
   0.64146473  0.77376940  0.44117927
   0.88567805  0.94333969  0.84196917
   0.92210374  0.85837698  0.66484611
   0.66956359  0.91839699  0.73711878
   0.78518679  0.64120469  0.98889235
   0.53262198  0.66641888  0.88978497
   0.67390866  0.81588500  0.58631393
   0.71165314  0.83708926  0.44986116
   0.90465613  0.22355022  0.09415807
   1.01556035  0.42064958  0.28219499
   0.30001046  0.14059381  0.63601321
   0.26520417  0.71113141  0.73064128
   0.00931967  1.14850605  0.14310258
   0.21124563  1.09618790  0.03787291
   0.63559233  0.39466253  0.86704616
   0.88976710  0.43373043  0.60713133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914078    0.530648   -0.089749
    -0.000000    9.703672   -0.038052
    -0.000000    0.000000   14.096074
   Si   O    H 
    32    64    10
Direct configuration=  1368
   0.16268564  0.18402671 -0.03915663
   0.37109038  0.09140062  0.37142397
   0.12247514  0.42331929  0.10649495
   0.37302399  0.33994755  0.24399179
   0.10816377  0.13906161  0.48675277
   0.42944955  0.14388711  0.85279719
   0.11030556  0.40092830  0.62261299
   0.35767942  0.39187335  0.75382637
   0.12971690  0.70025355 -0.00052335
   0.42543089  0.58290245  0.35797254
   0.05758389  0.90203567  0.14946005
   0.34091091  0.83259427  0.24770937
   0.19212529  0.65405412  0.49128036
   0.37921912  0.66122810  0.86136165
   0.06919721  0.90892535  0.62011976
   0.32853322  1.00791446  0.69122730
   0.63675485  0.15483964  1.00925881
   0.86219836  0.13830413  0.35020705
   0.60343059  0.43755205  0.11378746
   0.87428226  0.32514970  0.16709235
   0.62182694  0.17153290  0.49516088
   0.87733861  0.10683615  0.88066356
   0.58759028  0.44519028  0.62084782
   0.75666859  0.37479547  0.80549980
   0.61786395  0.68479236 -0.01019678
   0.94280032  0.58452998  0.38346007
   0.56612323  0.92082516  0.12379818
   0.82086819  0.84086980  0.26632440
   0.67223000  0.61129350  0.46569598
   0.87205787  0.61547743  0.89027391
   0.61126719  0.93369408  0.63047851
   0.83418529  0.85315204  0.75477825
   0.06437328  0.06529885  0.16684012
   0.35012274  0.17974785  0.27511772
   0.10013926  0.33546304  0.00441865
   0.33903697  0.45454943  0.32437710
   0.52462683  0.36833119  0.20776234
   0.27074396  0.38058932  0.15467220
   0.24996174  0.09068850  0.45022469
   0.01444207  0.16400879  0.39286657
   0.01962261  0.03319163  0.55421239
   0.46923124  0.26688299  0.77308404
   0.11753495  0.26574235  0.55317191
   0.33356675  0.50572278  0.83492600
   0.44329191  0.47106636  0.67099145
   0.21072797  0.35915203  0.71137805
   0.29687156  0.22135891 -0.10436861
   0.04203776  0.13831214  0.89023363
   0.10735972  0.58249518  0.07838902
   0.39520065  0.68353567  0.26680189
   0.08867901  0.84553968  0.04246446
   0.36332190  0.92826355  0.34224125
   0.40456400  0.89771182  0.14523795
   0.18512436  0.84043842  0.21755340
   0.34072088  0.65370575  0.44683976
   0.08019583  0.67249180  0.40232538
   0.17131083  0.51624024  0.55456470
   0.35431465  0.74396782  0.75632527
   0.14681731  0.77571830  0.56930943
   0.39492417  1.00044473  0.79932502
   0.44193702  0.94037135  0.61311978
   0.18141027  0.94458395  0.70448636
   0.28669811  0.69202665 -0.04429746
   0.02077255  0.67138539  0.91709620
   0.60511633  0.07541034  0.10572551
   0.84545777  0.22733318  0.25078792
   0.60352991  0.32150644  0.02857501
   0.97537447  0.43456406  0.34971376
   0.01671393  0.40322326  0.18686308
   0.75507854  0.44449268  0.16636218
   0.74456243  0.19204029  0.42033831
   0.50542676  0.13147298  0.42928381
   0.66756095  0.06043673  0.57418613
   0.80783919  0.21208721  0.80532295
   0.58589313  0.31784851  0.54525073
   0.87547001  0.45269290  0.87147372
   0.95392143  0.42301466  0.66434474
   0.70859327  0.41392401  0.70076953
   0.79080947  0.10568662  0.98396221
   0.53787952  0.11679958  0.92822277
   0.55433308  0.57660331  0.06501784
   0.84829911  0.69972992  0.31721977
   0.59694326  0.84494962  0.02037294
   0.85476070  0.96068318  0.34413764
   0.91459465  0.85670477  0.17474233
   0.66503385  0.85035004  0.20908221
   0.82884915  0.57096346  0.47301604
   0.57715983  0.54707661  0.38046465
   0.60467815  0.59333692  0.57140150
   0.82015906  0.68987627  0.79552529
   0.64204556  0.77482139  0.44080244
   0.88424979  0.94409258  0.84203771
   0.92267874  0.86052220  0.66274230
   0.67251307  0.91764678  0.73509545
   0.78654320  0.64192721  0.98824220
   0.53238488  0.66790534  0.89055548
   0.67607856  0.81396937  0.58474208
   0.71412920  0.83631811  0.45008726
   0.90228055  0.21824939  0.08767244
   1.01949671  0.42058275  0.28107490
   0.30014620  0.14280282  0.63617243
   0.27896936  0.71726519  0.73738697
   0.00977289  1.14662500  0.14359919
   0.21422070  1.09969373  0.03246437
   0.63670231  0.39524509  0.86561225
   0.88876599  0.42783569  0.60622176
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914853    0.532554   -0.089407
    -0.000000    9.704401   -0.038581
    -0.000000    0.000000   14.093944
   Si   O    H 
    32    64    10
Direct configuration=  1369
   0.16255213  0.18454805 -0.04044860
   0.37040989  0.09095779  0.37170688
   0.12368827  0.42173252  0.10603260
   0.37405998  0.34071141  0.24279442
   0.10937540  0.13821622  0.48646763
   0.43093086  0.14332519  0.85231985
   0.10970192  0.40198126  0.62241718
   0.35624448  0.39313184  0.75398160
   0.12925380  0.69941047 -0.00049355
   0.42515976  0.58250768  0.35783341
   0.05807054  0.90245613  0.14875038
   0.34462869  0.83193162  0.24626615
   0.19082523  0.65232386  0.49163961
   0.37938938  0.66123564  0.86130430
   0.06818709  0.90779909  0.62041692
   0.32858160  1.00803405  0.69141956
   0.63724722  0.15474007  1.00921231
   0.86237902  0.13877530  0.35047200
   0.60343133  0.43726259  0.11486485
   0.87417352  0.32572753  0.16700401
   0.62174293  0.17120468  0.49545635
   0.87701276  0.10729102  0.88026608
   0.58692276  0.44505787  0.61997975
   0.75678001  0.37627881  0.80587470
   0.61785924  0.68400191 -0.00926181
   0.94320202  0.58457735  0.38289237
   0.56709237  0.91948894  0.12430183
   0.82087853  0.84214158  0.26697093
   0.67175397  0.61034985  0.46643759
   0.87166976  0.61534532  0.89048943
   0.61135332  0.93242770  0.63130799
   0.83319858  0.85400994  0.75403223
   0.06461417  0.06712773  0.16722022
   0.34903419  0.17813376  0.27519968
   0.10005172  0.33582937  0.00579783
   0.33805375  0.45441632  0.32472051
   0.52576600  0.36962644  0.20878060
   0.26948513  0.38131202  0.15553124
   0.25129982  0.09018596  0.44979259
   0.01321698  0.16283489  0.39216233
   0.02133009  0.03369422  0.55402444
   0.46877986  0.26667493  0.77379191
   0.11656761  0.26534042  0.55303369
   0.33327124  0.50431463  0.83617740
   0.44234413  0.47096119  0.67172823
   0.21002575  0.35862574  0.71141094
   0.29700428  0.22118652 -0.10370227
   0.04085654  0.13808807  0.88981980
   0.10897810  0.58193933  0.07729376
   0.39484886  0.68151935  0.26666883
   0.08772172  0.84553297  0.04409915
   0.36357963  0.92889771  0.34150988
   0.40535002  0.89751783  0.14556715
   0.18478649  0.84016711  0.21850754
   0.33945278  0.65477936  0.44658611
   0.08244108  0.67128653  0.40358994
   0.17151673  0.51686687  0.55519940
   0.35412209  0.74639341  0.75706897
   0.14654345  0.77446210  0.56951912
   0.39479293  1.00117772  0.79991455
   0.44394535  0.94009285  0.61211779
   0.17955746  0.94341611  0.70535572
   0.28709937  0.69108821 -0.04421369
   0.02136827  0.67192550  0.91757541
   0.60505574  0.07503143  0.10544488
   0.84636160  0.22895854  0.24997258
   0.60276456  0.32092472  0.02895160
   0.97643365  0.43516078  0.34904438
   0.01641082  0.40403083  0.18746656
   0.75516211  0.44534520  0.16629915
   0.74194942  0.19273925  0.41986512
   0.50498031  0.13160185  0.42956044
   0.66668436  0.05967124  0.57375321
   0.80712373  0.21205349  0.80641436
   0.58777059  0.31844634  0.54544376
   0.87494650  0.45256777  0.87149059
   0.95659720  0.42212798  0.66333530
   0.70878494  0.41519049  0.69970234
   0.79292626  0.10719384  0.98402179
   0.53889404  0.11668985  0.92788574
   0.55392592  0.57559753  0.06564243
   0.84850288  0.69895499  0.31780600
   0.59725509  0.84432916  0.02160716
   0.85607588  0.96206080  0.34415875
   0.91484219  0.85677675  0.17470027
   0.66522002  0.84971325  0.20950606
   0.82705093  0.57200516  0.47117492
   0.57869695  0.54761433  0.38108631
   0.60434063  0.59441766  0.57072205
   0.82067878  0.69127251  0.79502690
   0.64291377  0.77562453  0.44006807
   0.88271371  0.94563943  0.84185431
   0.92332785  0.86290069  0.66055187
   0.67545399  0.91709191  0.73377197
   0.78667767  0.64224835  0.98751940
   0.53266487  0.66979882  0.89178159
   0.67394570  0.81426187  0.58626459
   0.71540906  0.83674783  0.45180180
   0.90150127  0.21969499  0.08129935
   1.01950898  0.42293060  0.28499382
   0.29920008  0.13986278  0.63889653
   0.26435358  0.71476208  0.73548608
   0.01072994  1.13533996  0.14387196
   0.21768462  1.09450872  0.03181268
   0.63760771  0.39153006  0.86448087
   0.89490582  0.42295942  0.61111779
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915471    0.534698   -0.088691
    -0.000000    9.705021   -0.038983
    -0.000000    0.000000   14.091358
   Si   O    H 
    32    64    10
Direct configuration=  1370
   0.16221442  0.18532080 -0.04209006
   0.37025341  0.09015690  0.37259828
   0.12545241  0.42038577  0.10554387
   0.37472616  0.34126711  0.24193628
   0.11028384  0.13660933  0.48680004
   0.43195022  0.14308859  0.85200235
   0.10960661  0.40223219  0.62211246
   0.35470083  0.39476227  0.75442166
   0.12888280  0.69893759 -0.00014142
   0.42519777  0.58132505  0.35729548
   0.05880245  0.90404760  0.14832922
   0.34712834  0.83187472  0.24467601
   0.18965261  0.65065457  0.49155719
   0.37926768  0.66165543  0.86054392
   0.06701509  0.90668003  0.62095929
   0.32839377  1.00780890  0.69115424
   0.63753200  0.15470457  1.00901855
   0.86246817  0.13873155  0.35061181
   0.60320378  0.43687149  0.11609750
   0.87426723  0.32625827  0.16674268
   0.62215616  0.17088495  0.49584933
   0.87668917  0.10679601  0.88007815
   0.58665546  0.44487633  0.61989404
   0.75743214  0.37762356  0.80644155
   0.61718181  0.68356731 -0.00879097
   0.94345236  0.58509805  0.38244365
   0.56806619  0.91802510  0.12503703
   0.82097471  0.84354106  0.26747332
   0.67119386  0.60985877  0.46723800
   0.87166569  0.61515505  0.89078812
   0.61137131  0.93063123  0.63217383
   0.83272427  0.85410858  0.75363585
   0.06695387  0.06801473  0.16789688
   0.34800497  0.17749446  0.27461016
   0.10065992  0.33536150  0.00716244
   0.33697684  0.45434153  0.32466887
   0.52703396  0.37160828  0.20973548
   0.26819752  0.38137949  0.15608334
   0.25289147  0.09034581  0.44914810
   0.01152014  0.16219258  0.39193556
   0.02229411  0.03448483  0.55383506
   0.46896059  0.26538785  0.77477962
   0.11438634  0.26601581  0.55289483
   0.33353855  0.50412289  0.83729419
   0.44173281  0.47071698  0.67212167
   0.20915512  0.35734869  0.71165310
   0.29664438  0.22151510 -0.10276255
   0.03916748  0.13805782  0.89014266
   0.11100516  0.58129945  0.07598560
   0.39393961  0.67896302  0.26645966
   0.08643356  0.84560394  0.04545079
   0.36443852  0.92910755  0.34056362
   0.40715138  0.89725188  0.14576942
   0.18441287  0.84044851  0.21920019
   0.33829700  0.65480864  0.44611627
   0.08452701  0.66984823  0.40493998
   0.17114021  0.51826059  0.55571839
   0.35395020  0.74899705  0.75805336
   0.14662387  0.77343642  0.56920924
   0.39439861  1.00218039  0.80000678
   0.44586955  0.93924525  0.61153933
   0.17778362  0.94209723  0.70618450
   0.28763974  0.69079084 -0.04391044
   0.02196648  0.67303828  0.91736250
   0.60533745  0.07569559  0.10561861
   0.84721677  0.23090223  0.25021020
   0.60256509  0.32025278  0.02940918
   0.97725057  0.43572719  0.34816700
   0.01606465  0.40469925  0.18746290
   0.75414558  0.44644569  0.16611472
   0.73942084  0.19441787  0.41958831
   0.50353209  0.13173804  0.42990015
   0.66586960  0.05886869  0.57367453
   0.80587278  0.21220492  0.80732507
   0.58928001  0.31890334  0.54521365
   0.87466110  0.45170681  0.87155785
   0.95950251  0.42049872  0.66257602
   0.70817245  0.41618896  0.69881911
   0.79521383  0.10753601  0.98420345
   0.53981185  0.11599096  0.92843503
   0.55404707  0.57469456  0.06580635
   0.84914831  0.69751935  0.31908100
   0.59757660  0.84297441  0.02253477
   0.85726520  0.96357096  0.34411399
   0.91509558  0.85692255  0.17465656
   0.66540859  0.84965074  0.20987461
   0.82687339  0.57311828  0.46969004
   0.58036195  0.54799847  0.38211816
   0.60404379  0.59427288  0.56996843
   0.82202616  0.69241268  0.79482430
   0.64449256  0.77593580  0.43922805
   0.88091937  0.94671773  0.84155882
   0.92454216  0.86417252  0.65871041
   0.67851775  0.91675833  0.73292719
   0.78621078  0.64258311  0.98645277
   0.53266197  0.67143087  0.89281962
   0.66947270  0.81429767  0.58812858
   0.71678156  0.83880098  0.45441062
   0.89747336  0.22691570  0.08006203
   1.01726692  0.42572894  0.29093890
   0.29553260  0.13633108  0.64603823
   0.25487409  0.71476321  0.73408448
   0.00286531  1.13815418  0.13747679
   0.22147416  1.08759177  0.03254881
   0.63795911  0.38856713  0.86425030
   0.89747196  0.42427644  0.61501581
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915987    0.537055   -0.088251
    -0.000000    9.705741   -0.039819
    -0.000000    0.000000   14.088564
   Si   O    H 
    32    64    10
Direct configuration=  1371
   0.16157495  0.18598447 -0.04332040
   0.37061111  0.08935683  0.37346825
   0.12731932  0.41914996  0.10496252
   0.37474127  0.34213859  0.24159238
   0.11092062  0.13536248  0.48703597
   0.43230877  0.14298533  0.85098197
   0.11036805  0.40237647  0.62150187
   0.35309438  0.39617729  0.75463703
   0.12912125  0.69798857  0.00001904
   0.42482948  0.58052032  0.35698188
   0.05951423  0.90570273  0.14804572
   0.34907247  0.83215434  0.24367376
   0.18871993  0.64954019  0.49154464
   0.37875233  0.66173906  0.85921660
   0.06626143  0.90504978  0.62127286
   0.32851067  1.00733651  0.69110476
   0.63791882  0.15450474  1.00904683
   0.86247343  0.13785699  0.35065165
   0.60236394  0.43623808  0.11727824
   0.87515746  0.32691430  0.16632369
   0.62263767  0.17084723  0.49616320
   0.87728026  0.10592665  0.87981730
   0.58605685  0.44482788  0.61976547
   0.75802175  0.37835514  0.80681752
   0.61635030  0.68369707 -0.00869940
   0.94355474  0.58523711  0.38208119
   0.56935152  0.91629190  0.12527691
   0.82088138  0.84542646  0.26829281
   0.66987026  0.61008427  0.46806951
   0.87231560  0.61489261  0.89170707
   0.61101748  0.92929617  0.63295416
   0.83211302  0.85432485  0.75342496
   0.06847904  0.06900595  0.16905600
   0.34718396  0.17792902  0.27457673
   0.10112117  0.33404547  0.00844545
   0.33605556  0.45281097  0.32468813
   0.52871907  0.37284771  0.21086082
   0.26755306  0.38060194  0.15695869
   0.25366623  0.09086326  0.44851873
   0.00950116  0.16243579  0.39210491
   0.02286344  0.03523005  0.55354243
   0.46936103  0.26430184  0.77498137
   0.11253604  0.26745694  0.55228439
   0.33328723  0.50448604  0.83831206
   0.44076813  0.46969225  0.67205282
   0.20856268  0.35671385  0.71187191
   0.29641617  0.22192977 -0.10163210
   0.03782811  0.13789883  0.89025321
   0.11297986  0.58034503  0.07514467
   0.39368155  0.67693542  0.26596777
   0.08608725  0.84558167  0.04628599
   0.36483584  0.92863016  0.33945210
   0.40931979  0.89740562  0.14564898
   0.18391848  0.84122056  0.21970469
   0.33744980  0.65564020  0.44601688
   0.08554568  0.66835642  0.40596215
   0.17024836  0.51850264  0.55572544
   0.35328382  0.75086579  0.75874826
   0.14587575  0.77256179  0.56928950
   0.39426840  1.00326965  0.79978035
   0.44733125  0.93920549  0.61124328
   0.17507744  0.94082935  0.70656870
   0.28746850  0.69104335 -0.04402610
   0.02205562  0.67321904  0.91690320
   0.60503818  0.07525758  0.10590773
   0.84836882  0.23239889  0.25145327
   0.60311826  0.31889661  0.02979044
   0.97717238  0.43603010  0.34868530
   0.01583182  0.40467640  0.18724339
   0.75267521  0.44793842  0.16553381
   0.73804936  0.19606746  0.41934356
   0.50152473  0.13134793  0.42954615
   0.66492652  0.05758657  0.57367798
   0.80535741  0.21299144  0.80836372
   0.59025309  0.31970538  0.54486049
   0.87438417  0.45141688  0.87144971
   0.96330968  0.41795709  0.66190805
   0.70713169  0.41744211  0.69795748
   0.79745998  0.10803179  0.98427154
   0.54084054  0.11559375  0.92886665
   0.55442611  0.57407549  0.06578500
   0.84904353  0.69694522  0.31963628
   0.59734514  0.84139183  0.02344325
   0.85789432  0.96539820  0.34371005
   0.91437947  0.85606151  0.17479458
   0.66550011  0.84986202  0.21020279
   0.82758457  0.57379839  0.46807167
   0.58140853  0.54813166  0.38371353
   0.60346164  0.59422765  0.56893351
   0.82373388  0.69428362  0.79539544
   0.64639886  0.77661561  0.43835114
   0.87966282  0.94853351  0.84174628
   0.92487392  0.86446981  0.65723176
   0.68063010  0.91672364  0.73274670
   0.78509948  0.64218368  0.98594633
   0.53282119  0.67283777  0.89371740
   0.66539499  0.81105670  0.58720110
   0.71640026  0.84002982  0.45825648
   0.89265148  0.23832189  0.07961095
   1.02332463  0.42376060  0.28932671
   0.29469232  0.13359772  0.65253810
   0.26076988  0.72319726  0.73515461
  -0.00231180  1.13336691  0.13188099
   0.22185916  1.08081637  0.03135717
   0.63786534  0.38641288  0.86480756
   0.88704676  0.42557131  0.61315879
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916534    0.539779   -0.087932
    -0.000000    9.706375   -0.040430
    -0.000000    0.000000   14.085864
   Si   O    H 
    32    64    10
Direct configuration=  1372
   0.16059336  0.18634682 -0.04443545
   0.37098865  0.08820026  0.37413999
   0.12853099  0.41836436  0.10468994
   0.37443430  0.34257499  0.24116690
   0.11096006  0.13387977  0.48732221
   0.43223080  0.14387028  0.85034778
   0.11133710  0.40285292  0.62058258
   0.35206121  0.39736911  0.75487689
   0.12971736  0.69709953 -0.00028665
   0.42457952  0.57997697  0.35677867
   0.06077105  0.90684618  0.14841947
   0.35056450  0.83339063  0.24276244
   0.18819122  0.64842872  0.49183313
   0.37813086  0.66127227  0.85796687
   0.06555026  0.90394479  0.62166626
   0.32888462  1.00686519  0.69123669
   0.63859181  0.15462557  1.00910768
   0.86200405  0.13729508  0.35048281
   0.60183691  0.43567847  0.11834468
   0.87626763  0.32799540  0.16583588
   0.62288070  0.17097117  0.49653078
   0.87805809  0.10500717  0.87965451
   0.58506952  0.44463786  0.62008491
   0.75785148  0.37916373  0.80719716
   0.61635212  0.68332622 -0.00856084
   0.94313288  0.58609394  0.38192122
   0.57030948  0.91435761  0.12551008
   0.82073344  0.84715998  0.26872883
   0.66889822  0.61042710  0.46914575
   0.87320516  0.61512454  0.89246763
   0.61038565  0.92842851  0.63357696
   0.83155488  0.85428849  0.75318708
   0.06965360  0.07038530  0.16953373
   0.34647682  0.17906368  0.27483825
   0.10193021  0.33225920  0.00943447
   0.33529726  0.45089123  0.32444897
   0.52970207  0.37447260  0.21189969
   0.26783799  0.37994944  0.15783923
   0.25437663  0.09186775  0.44758443
   0.00782083  0.16222719  0.39283103
   0.02330246  0.03586591  0.55330634
   0.46965217  0.26255061  0.77517956
   0.11253956  0.26970599  0.55165048
   0.33298014  0.50558944  0.83959964
   0.44008053  0.46873208  0.67207595
   0.20815549  0.35626486  0.71251990
   0.29618621  0.22241240 -0.10065393
   0.03625583  0.13814803  0.89020582
   0.11503588  0.57915913  0.07450216
   0.39463775  0.67493372  0.26601951
   0.08593619  0.84585246  0.04699877
   0.36438226  0.92771934  0.33787705
   0.41026135  0.89805740  0.14560500
   0.18241430  0.84152250  0.22022708
   0.33509737  0.65689247  0.44595068
   0.08597642  0.66664064  0.40660847
   0.16979920  0.51825557  0.55614218
   0.35163776  0.75177444  0.75949951
   0.14493621  0.77216373  0.57043974
   0.39366960  1.00355768  0.79861060
   0.44821375  0.93973232  0.61118833
   0.17336947  0.93981564  0.70740281
   0.28757671  0.69165607 -0.04393945
   0.02282937  0.67356104  0.91589668
   0.60467686  0.07494649  0.10640433
   0.84920357  0.23381730  0.25278327
   0.60356059  0.31904612  0.03077524
   0.97682860  0.43530980  0.34916451
   0.01603405  0.40407355  0.18625772
   0.75146016  0.44879306  0.16414493
   0.73708090  0.19773737  0.41953878
   0.49947471  0.13136869  0.42896959
   0.66433168  0.05686525  0.57329853
   0.80476552  0.21450375  0.80964314
   0.59225329  0.32065224  0.54490767
   0.87423086  0.45134396  0.87098730
   0.96549924  0.41557465  0.66118758
   0.70572633  0.41882904  0.69723320
   0.79972936  0.10874079  0.98363723
   0.54191855  0.11477765  0.92973133
   0.55471959  0.57356081  0.06620948
   0.85005907  0.69619374  0.31928201
   0.59718637  0.83943630  0.02425201
   0.85826717  0.96832418  0.34403759
   0.91326630  0.85517872  0.17494783
   0.66578248  0.85031296  0.21015998
   0.82917359  0.57428449  0.46698142
   0.58265243  0.54779089  0.38494107
   0.60353904  0.59346879  0.56734082
   0.82557581  0.69584630  0.79589725
   0.64909981  0.77752051  0.43734926
   0.87949669  0.95050380  0.84163059
   0.92372278  0.86382654  0.65577781
   0.68171543  0.91652568  0.73322440
   0.78325170  0.64219907  0.98551324
   0.53304138  0.67429683  0.89425148
   0.66153310  0.80537353  0.58376802
   0.71093203  0.83789292  0.46140553
   0.88737484  0.25193034  0.07906063
   1.03437450  0.41942450  0.28446495
   0.29651071  0.13838469  0.65581873
   0.27252422  0.73286251  0.73636508
  -0.00191314  1.11987985  0.13062419
   0.22071696  1.07807754  0.02564260
   0.63615662  0.38489558  0.86731737
   0.88426315  0.42387295  0.61711466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916703    0.542197   -0.087797
    -0.000000    9.707118   -0.041033
    -0.000000    0.000000   14.082905
   Si   O    H 
    32    64    10
Direct configuration=  1373
   0.15968256  0.18631362 -0.04555359
   0.37145085  0.08673925  0.37427877
   0.12962955  0.41752246  0.10411630
   0.37414798  0.34246599  0.24081899
   0.11123627  0.13283701  0.48715690
   0.43211978  0.14435322  0.84985574
   0.11252249  0.40290007  0.61958226
   0.35107194  0.39922286  0.75516871
   0.13043732  0.69604842 -0.00092835
   0.42373762  0.57934353  0.35663245
   0.06225290  0.90748404  0.14865035
   0.35135946  0.83517856  0.24181341
   0.18823275  0.64750384  0.49246467
   0.37713408  0.66073326  0.85701279
   0.06516805  0.90315059  0.62212201
   0.32864535  1.00565490  0.69126584
   0.63936340  0.15499026  1.00953335
   0.86121917  0.13707794  0.35026119
   0.60140693  0.43469064  0.11922439
   0.87728006  0.32976648  0.16531221
   0.62286339  0.17086169  0.49675410
   0.87896302  0.10456604  0.87960901
   0.58372236  0.44456201  0.62045501
   0.75739189  0.37951801  0.80764980
   0.61605327  0.68312782 -0.00804854
   0.94223158  0.58707001  0.38185698
   0.57155470  0.91267932  0.12591473
   0.82079423  0.84803829  0.26916953
   0.66833206  0.61155306  0.46972976
   0.87457128  0.61549113  0.89342195
   0.60916760  0.92718207  0.63365584
   0.83039427  0.85393961  0.75322326
   0.07073835  0.07234816  0.16980428
   0.34636513  0.17970363  0.27507750
   0.10212017  0.33089643  0.01000402
   0.33488644  0.44931875  0.32461161
   0.52962160  0.37542390  0.21275895
   0.26939345  0.37994563  0.15830222
   0.25497764  0.09275498  0.44718088
   0.00637861  0.16229011  0.39375419
   0.02351956  0.03579721  0.55349377
   0.46939609  0.26099858  0.77543867
   0.11310620  0.27132905  0.55099887
   0.33199702  0.50723227  0.84126449
   0.43868052  0.46787224  0.67180042
   0.20715749  0.35571734  0.71277312
   0.29659749  0.22228949 -0.09973903
   0.03549966  0.13806617  0.89073881
   0.11783593  0.57764013  0.07421959
   0.39561232  0.67351328  0.26577402
   0.08557222  0.84549659  0.04721459
   0.36420473  0.92673027  0.33686342
   0.41168839  0.89900202  0.14631766
   0.18153444  0.84161226  0.22041957
   0.33277565  0.65819580  0.44561707
   0.08551914  0.66504601  0.40690496
   0.16871403  0.51808166  0.55643377
   0.35176884  0.75321827  0.76080360
   0.14386313  0.77180495  0.57081381
   0.39364496  1.00360534  0.79749202
   0.44819036  0.94051356  0.61174268
   0.17185935  0.93870796  0.70760748
   0.28730061  0.69130797 -0.04383224
   0.02402823  0.67271890  0.91460007
   0.60406798  0.07426156  0.10714215
   0.85037646  0.23481928  0.25501966
   0.60340751  0.31893487  0.03179218
   0.97703160  0.43418195  0.34894501
   0.01666849  0.40348237  0.18541461
   0.75006818  0.45006544  0.16248606
   0.73695956  0.19907534  0.41958144
   0.49810635  0.13124893  0.42831777
   0.66445859  0.05690641  0.57312114
   0.80389683  0.21563429  0.81087091
   0.59423799  0.32118351  0.54517457
   0.87439070  0.45088060  0.86982925
   0.96577378  0.41477233  0.66044429
   0.70453779  0.41988662  0.69651610
   0.80180336  0.10953125  0.98267003
   0.54338062  0.11349961  0.93017225
   0.55523590  0.57308694  0.06674858
   0.85041870  0.69506220  0.31837580
   0.59745215  0.83697247  0.02489087
   0.85851645  0.97051484  0.34459282
   0.91208031  0.85446357  0.17564425
   0.66629502  0.85028691  0.21042067
   0.83118849  0.57486361  0.46613690
   0.58343621  0.54776476  0.38581134
   0.60321739  0.59242056  0.56628154
   0.82691080  0.69749906  0.79566091
   0.65028551  0.77797434  0.43650278
   0.87954628  0.95185536  0.84107827
   0.92258538  0.86250003  0.65463650
   0.68232841  0.91686953  0.73397796
   0.78081290  0.64240652  0.98470786
   0.53293748  0.67552154  0.89473048
   0.65468354  0.80382285  0.58350888
   0.71018817  0.84658458  0.46768571
   0.88410478  0.25932970  0.07840179
   1.03980037  0.41594182  0.28695666
   0.29636130  0.14921897  0.65668236
   0.25816305  0.73929167  0.72751667
   0.00149757  1.11005983  0.13144080
   0.21284110  1.07366863  0.01999184
   0.63771360  0.38462815  0.86890155
   0.88985945  0.42258952  0.62498208
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916646    0.544489   -0.087739
    -0.000000    9.707730   -0.042129
    -0.000000    0.000000   14.080100
   Si   O    H 
    32    64    10
Direct configuration=  1374
   0.15920228  0.18669738 -0.04633441
   0.37215264  0.08522038  0.37403415
   0.13099398  0.41632990  0.10370972
   0.37415866  0.34211951  0.24067886
   0.11077053  0.13214048  0.48708812
   0.43159743  0.14457141  0.84958920
   0.11351216  0.40214302  0.61831850
   0.35035995  0.40087215  0.75510868
   0.13102095  0.69596581 -0.00172098
   0.42308590  0.57872587  0.35669548
   0.06360600  0.90828243  0.14887406
   0.35153259  0.83641110  0.24063267
   0.18829441  0.64700177  0.49294168
   0.37628593  0.66089390  0.85657904
   0.06549101  0.90287744  0.62249222
   0.32859204  1.00406703  0.69103620
   0.64077068  0.15560566  1.00983201
   0.86001356  0.13720554  0.34969512
   0.60123000  0.43375024  0.11973644
   0.87733519  0.33197135  0.16539818
   0.62305160  0.17090527  0.49706917
   0.87933089  0.10370128  0.87988868
   0.58258621  0.44401821  0.62062551
   0.75708440  0.37888541  0.80805992
   0.61542168  0.68241766 -0.00745139
   0.94151833  0.58806053  0.38219057
   0.57250387  0.91057823  0.12628758
   0.82109635  0.84862181  0.26919878
   0.66779622  0.61281416  0.46968234
   0.87536490  0.61561322  0.89378350
   0.60823900  0.92659170  0.63361137
   0.82981320  0.85419741  0.75324509
   0.07237368  0.07370253  0.17007085
   0.34666878  0.18037335  0.27506512
   0.10213215  0.32914406  0.00993410
   0.33534295  0.44843133  0.32504900
   0.52848645  0.37613717  0.21332988
   0.27032151  0.37912821  0.15760383
   0.25500901  0.09394973  0.44681225
   0.00589170  0.16196673  0.39485161
   0.02391113  0.03593580  0.55361637
   0.46830079  0.25941912  0.77588066
   0.11362381  0.27240145  0.55019543
   0.33162473  0.50918097  0.84295046
   0.43740885  0.46693420  0.67183078
   0.20611267  0.35590791  0.71275999
   0.29660788  0.22233436 -0.09883069
   0.03469844  0.13770536  0.89124574
   0.12103764  0.57690363  0.07366453
   0.39626310  0.67279944  0.26531413
   0.08536676  0.84447261  0.04684637
   0.36408381  0.92675969  0.33626312
   0.41264300  0.90008605  0.14736832
   0.18108344  0.84189810  0.22041191
   0.33056642  0.65924860  0.44507516
   0.08543570  0.66250605  0.40684982
   0.16860436  0.51716665  0.55671972
   0.35114523  0.75336780  0.76208827
   0.14246618  0.77101536  0.57151113
   0.39339178  1.00447669  0.79668023
   0.44786883  0.94127044  0.61275623
   0.17067851  0.93816407  0.70834889
   0.28692670  0.69172636 -0.04406418
   0.02488847  0.67211139  0.91295138
   0.60373008  0.07380012  0.10786500
   0.85185126  0.23525522  0.25759834
   0.60303763  0.31811006  0.03240760
   0.97706782  0.43305881  0.34819730
   0.01795184  0.40316932  0.18447360
   0.74894098  0.45127519  0.16103952
   0.73704088  0.20076351  0.41929493
   0.49705025  0.13136080  0.42832529
   0.66475950  0.05715024  0.57360464
   0.80330279  0.21635986  0.81177114
   0.59655752  0.32115372  0.54555655
   0.87449854  0.45193961  0.86846574
   0.96634734  0.41452818  0.66035863
   0.70378699  0.42014553  0.69674100
   0.80347142  0.11074986  0.98175466
   0.54429419  0.11252519  0.92977978
   0.55555875  0.57304753  0.06731394
   0.85026486  0.69415668  0.31722596
   0.59824159  0.83451357  0.02598295
   0.85839098  0.97310349  0.34478554
   0.91182038  0.85347849  0.17620548
   0.66705895  0.85092572  0.21091431
   0.83328132  0.57569762  0.46559517
   0.58281034  0.54791115  0.38622495
   0.60285414  0.59092025  0.56631962
   0.82775434  0.69933166  0.79577049
   0.65122836  0.77912886  0.43536163
   0.87914889  0.95204209  0.84010066
   0.92067556  0.86131851  0.65416170
   0.68328266  0.91766441  0.73523008
   0.77852579  0.64398525  0.98403566
   0.53357693  0.67618705  0.89475343
   0.65080292  0.80522577  0.58466069
   0.70730512  0.84751020  0.47129666
   0.88123052  0.25706709  0.07650842
   1.03736564  0.41373980  0.29598376
   0.29615490  0.15779016  0.65853962
   0.25819371  0.74683953  0.72450942
  -0.00633950  1.11113830  0.12859795
   0.20302174  1.07130832  0.01519929
   0.63755706  0.38486180  0.87007839
   0.88524887  0.42585993  0.62627957
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916607    0.547170   -0.087707
    -0.000000    9.708976   -0.043202
    -0.000000    0.000000   14.077689
   Si   O    H 
    32    64    10
Direct configuration=  1375
   0.15861271  0.18662307 -0.04638408
   0.37326312  0.08407112  0.37343884
   0.13234270  0.41582842  0.10313819
   0.37416923  0.34131319  0.24093970
   0.10893255  0.13231982  0.48681173
   0.43179287  0.14484209  0.84968341
   0.11463481  0.40066436  0.61750867
   0.35003727  0.40172828  0.75523348
   0.13125155  0.69591182 -0.00261857
   0.42170144  0.57743529  0.35688311
   0.06499644  0.90877609  0.14978214
   0.35164365  0.83716204  0.23997949
   0.18807625  0.64698559  0.49338220
   0.37588802  0.66154943  0.85634948
   0.06597399  0.90231750  0.62235677
   0.32803120  1.00271801  0.69075537
   0.64240852  0.15603038  1.01040213
   0.85822140  0.13746137  0.34876779
   0.60073075  0.43259244  0.11975549
   0.87666348  0.33448133  0.16589465
   0.62331601  0.17087767  0.49750557
   0.87956389  0.10318010  0.88050625
   0.58196284  0.44375095  0.62079052
   0.75732117  0.37816856  0.80847771
   0.61503854  0.68185270 -0.00712652
   0.94097010  0.58851541  0.38269778
   0.57331340  0.90871288  0.12683569
   0.82097791  0.84912767  0.26914733
   0.66690201  0.61375256  0.46896813
   0.87713722  0.61626773  0.89389450
   0.60757445  0.92618644  0.63330127
   0.82974168  0.85415371  0.75343403
   0.07320833  0.07537055  0.16996431
   0.34780971  0.18175082  0.27521859
   0.10222020  0.32633241  0.01076970
   0.33656285  0.44785372  0.32608257
   0.52729967  0.37637569  0.21413186
   0.27062302  0.37734714  0.15625115
   0.25453178  0.09461858  0.44678098
   0.00656832  0.16164740  0.39640006
   0.02451757  0.03573962  0.55397562
   0.46687713  0.25945004  0.77626044
   0.11423303  0.27311775  0.54925187
   0.33162998  0.50939513  0.84527097
   0.43609689  0.46572496  0.67120321
   0.20566914  0.35561142  0.71259861
   0.29628657  0.22329451 -0.09859442
   0.03384798  0.13765597  0.89136942
   0.12443762  0.57583590  0.07356518
   0.39806256  0.67222604  0.26419297
   0.08473986  0.84316080  0.04682339
   0.36432498  0.92714194  0.33604306
   0.41408229  0.90089460  0.14810501
   0.18195787  0.84200100  0.22050032
   0.32915624  0.66000135  0.44415748
   0.08474124  0.66002772  0.40701027
   0.16857052  0.51612474  0.55713769
   0.35041702  0.75300126  0.76285660
   0.14174244  0.77007292  0.57197280
   0.39377161  1.00580212  0.79608151
   0.44594308  0.94227328  0.61430374
   0.16963194  0.93826010  0.70879522
   0.28646560  0.69268106 -0.04450268
   0.02563272  0.67122346  0.91152875
   0.60426177  0.07269325  0.10859108
   0.85277424  0.23560420  0.25944779
   0.60269058  0.31739612  0.03257896
   0.97713542  0.43170588  0.34773826
   0.01938478  0.40273457  0.18314170
   0.74843523  0.45201310  0.15910886
   0.73778100  0.20214409  0.41933521
   0.49609097  0.13185269  0.42808128
   0.66500482  0.05746365  0.57437620
   0.80299308  0.21671781  0.81200027
   0.59861782  0.32055936  0.54614307
   0.87445619  0.45286754  0.86654673
   0.96622674  0.41441421  0.66034691
   0.70313017  0.42085497  0.69741847
   0.80460482  0.11219112  0.98069152
   0.54524593  0.11216954  0.92891526
   0.55535459  0.57353188  0.06728445
   0.85061814  0.69293572  0.31593266
   0.59943772  0.83348186  0.02707173
   0.85721568  0.97545440  0.34461001
   0.91265318  0.85336188  0.17612434
   0.66768731  0.85180612  0.21193662
   0.83520479  0.57636777  0.46568695
   0.58249053  0.54876343  0.38659474
   0.60234518  0.58935988  0.56679208
   0.82890631  0.70068256  0.79592873
   0.65257499  0.77977986  0.43486874
   0.87857681  0.95141990  0.83871575
   0.91804154  0.86081537  0.65418207
   0.68349493  0.91826713  0.73637739
   0.77588836  0.64622382  0.98407231
   0.53399434  0.67699460  0.89408832
   0.64935790  0.80436441  0.58687621
   0.69937066  0.84420356  0.46881869
   0.88247972  0.25306385  0.07366941
   1.03700668  0.40920397  0.30217950
   0.29816261  0.15858467  0.65979518
   0.27102729  0.75857013  0.72741158
  -0.00994583  1.11295063  0.12826591
   0.19445229  1.07200469  0.01453027
   0.63402493  0.38772857  0.87176514
   0.87577406  0.43166133  0.62268621
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916515    0.549426   -0.087885
    -0.000000    9.710134   -0.045056
    -0.000000    0.000000   14.075509
   Si   O    H 
    32    64    10
Direct configuration=  1376
   0.15862428  0.18642637 -0.04671873
   0.37367903  0.08315590  0.37245523
   0.13307171  0.41546341  0.10236111
   0.37405672  0.34030096  0.24169996
   0.10744593  0.13279231  0.48639614
   0.43170084  0.14505764  0.84968285
   0.11581012  0.39875574  0.61717081
   0.35015782  0.40203839  0.75526570
   0.13190022  0.69595187 -0.00420245
   0.42026058  0.57684755  0.35719030
   0.06637582  0.90961149  0.15075969
   0.35191413  0.83749223  0.23975518
   0.18778540  0.64714344  0.49379364
   0.37518492  0.66235989  0.85625210
   0.06574721  0.90178009  0.62207551
   0.32701229  1.00151071  0.69030605
   0.64389054  0.15657152  1.01119213
   0.85640426  0.13853807  0.34816105
   0.60042428  0.43155856  0.11958722
   0.87661145  0.33711863  0.16653880
   0.62307747  0.17101188  0.49752823
   0.87971348  0.10294883  0.88060600
   0.58175755  0.44308465  0.62102802
   0.75737490  0.37723871  0.80914523
   0.61425972  0.68131825 -0.00708852
   0.94132139  0.58914436  0.38341590
   0.57446948  0.90735002  0.12755861
   0.82078029  0.84893500  0.26957854
   0.66631093  0.61486249  0.46827105
   0.87935872  0.61728384  0.89399779
   0.60631897  0.92576323  0.63270370
   0.82981978  0.85395760  0.75308890
   0.07334635  0.07671395  0.17001175
   0.34803888  0.18335738  0.27530604
   0.10182626  0.32351937  0.01162343
   0.33803337  0.44773490  0.32686232
   0.52634305  0.37686833  0.21529181
   0.27052686  0.37511924  0.15433084
   0.25393640  0.09530985  0.44663638
   0.00747987  0.16078031  0.39831926
   0.02486745  0.03512047  0.55490541
   0.46549039  0.25942199  0.77645838
   0.11401673  0.27355737  0.54785502
   0.33139691  0.50849481  0.84700792
   0.43553001  0.46418362  0.67035273
   0.20608157  0.35545393  0.71290306
   0.29617925  0.22375217 -0.09833326
   0.03314876  0.13635855  0.89080040
   0.12757360  0.57463572  0.07333215
   0.40088186  0.67290344  0.26346083
   0.08507052  0.84127453  0.04673859
   0.36533812  0.92792202  0.33603930
   0.41508104  0.90204704  0.14874078
   0.18404088  0.84158691  0.22077581
   0.32891869  0.66022609  0.44288509
   0.08342455  0.65835639  0.40686154
   0.16908074  0.51467020  0.55699315
   0.34968933  0.75375631  0.76375027
   0.14133849  0.76890006  0.57261321
   0.39322706  1.00760758  0.79525018
   0.44396189  0.94309382  0.61608775
   0.16867353  0.93916962  0.70935573
   0.28561506  0.69420181 -0.04489286
   0.02723152  0.67054764  0.90979151
   0.60490003  0.07053656  0.10925356
   0.85378643  0.23631518  0.26076394
   0.60342147  0.31697162  0.03264660
   0.97629386  0.43136085  0.34755887
   0.02088029  0.40161541  0.18232645
   0.74853606  0.45239256  0.15761269
   0.73823204  0.20397236  0.41877302
   0.49659861  0.13282266  0.42840735
   0.66545717  0.05692311  0.57513163
   0.80208781  0.21683762  0.81192087
   0.60058561  0.31973350  0.54639612
   0.87487944  0.45425979  0.86476935
   0.96545451  0.41455992  0.66040801
   0.70271945  0.42088391  0.69852104
   0.80477415  0.11333621  0.97927141
   0.54592183  0.11176716  0.92788096
   0.55372460  0.57421405  0.06765077
   0.85061046  0.69261393  0.31514877
   0.59988930  0.83294175  0.02800721
   0.85557777  0.97681707  0.34445420
   0.91440915  0.85309115  0.17587661
   0.66878114  0.85292254  0.21252377
   0.83656771  0.57647109  0.46610249
   0.58211511  0.54913250  0.38689242
   0.60222170  0.58753371  0.56776543
   0.82990618  0.70260599  0.79655205
   0.65376212  0.77984719  0.43398827
   0.87806282  0.95035648  0.83758892
   0.91519533  0.85930979  0.65432350
   0.68234928  0.91926836  0.73715911
   0.77377884  0.64841160  0.98403880
   0.53404868  0.67749047  0.89336051
   0.64907590  0.79951091  0.59066899
   0.69829193  0.84853218  0.47271923
   0.88619088  0.25350117  0.07535819
   1.04337089  0.39939403  0.30010975
   0.30098644  0.15074486  0.66413062
   0.27301511  0.77007565  0.72477839
  -0.00214895  1.11351656  0.13131962
   0.18565562  1.07105260  0.01509142
   0.63348624  0.39266733  0.87183171
   0.87790892  0.43508150  0.62413151
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916135    0.550786   -0.087925
    -0.000000    9.711848   -0.047447
    -0.000000    0.000000   14.073792
   Si   O    H 
    32    64    10
Direct configuration=  1377
   0.15802620  0.18637377 -0.04689507
   0.37371815  0.08247484  0.37101079
   0.13345308  0.41543533  0.10160955
   0.37391548  0.33904113  0.24266109
   0.10654754  0.13365971  0.48600183
   0.43116510  0.14548016  0.84971191
   0.11639686  0.39651530  0.61727362
   0.35020644  0.40192983  0.75558477
   0.13247263  0.69624286 -0.00598880
   0.41910361  0.57643052  0.35780627
   0.06781894  0.91014573  0.15209044
   0.35171605  0.83777645  0.23974768
   0.18742307  0.64748120  0.49446121
   0.37433424  0.66326594  0.85665602
   0.06514502  0.90159245  0.62179895
   0.32533867  1.00049299  0.68987154
   0.64530276  0.15620572  1.01201898
   0.85468670  0.13993054  0.34740724
   0.60064683  0.43052475  0.11963620
   0.87584301  0.33896548  0.16769686
   0.62283431  0.17145546  0.49760408
   0.87950393  0.10320787  0.88048988
   0.58231369  0.44266595  0.62135177
   0.75650249  0.37560855  0.80953118
   0.61325079  0.68081584 -0.00695847
   0.94146610  0.58924517  0.38416385
   0.57573344  0.90546401  0.12788612
   0.82093637  0.84887208  0.26991232
   0.66642904  0.61609198  0.46778244
   0.88187009  0.61850227  0.89384730
   0.60567821  0.92528751  0.63184786
   0.83017112  0.85345814  0.75317811
   0.07339687  0.07801394  0.17004975
   0.34788756  0.18453669  0.27581435
   0.10124967  0.32110540  0.01246074
   0.33886224  0.44684552  0.32810149
   0.52490599  0.37729424  0.21640781
   0.27162621  0.37231603  0.15286986
   0.25312420  0.09601797  0.44672002
   0.00828615  0.15951147  0.40022975
   0.02584160  0.03341786  0.55652331
   0.46458294  0.26044733  0.77646978
   0.11350382  0.27351857  0.54592240
   0.33157015  0.50725539  0.84833492
   0.43532926  0.46345890  0.66903650
   0.20634922  0.35544945  0.71328286
   0.29591424  0.22489854 -0.09791489
   0.03306131  0.13553595  0.89010356
   0.13055017  0.57392716  0.07299972
   0.40301953  0.67383766  0.26297338
   0.08579281  0.83972500  0.04654416
   0.36606169  0.92898412  0.33577716
   0.41564780  0.90330009  0.14946034
   0.18600646  0.84041957  0.22140146
   0.33024774  0.66054195  0.44163721
   0.08224610  0.65613832  0.40639876
   0.16998742  0.51342601  0.55698877
   0.34965395  0.75411695  0.76441136
   0.14138375  0.76772982  0.57283908
   0.39274136  1.00891660  0.79477426
   0.44205238  0.94426732  0.61767173
   0.16833040  0.94015628  0.70883254
   0.28451647  0.69590912 -0.04512550
   0.02848425  0.67001259  0.90820039
   0.60589680  0.06859500  0.11005323
   0.85475083  0.23636712  0.26195384
   0.60528225  0.31552466  0.03303185
   0.97556129  0.43188314  0.34769661
   0.02241509  0.40029601  0.18175548
   0.74852753  0.45296359  0.15654890
   0.73936881  0.20611534  0.41858169
   0.49869490  0.13342762  0.42879980
   0.66591333  0.05641842  0.57606753
   0.80187870  0.21670240  0.81192735
   0.60287332  0.31797624  0.54661693
   0.87513507  0.45575179  0.86324057
   0.96368637  0.41527811  0.66042445
   0.70330209  0.42030361  0.69998835
   0.80420843  0.11462177  0.97870234
   0.54656205  0.11125068  0.92709844
   0.55232086  0.57519700  0.06773129
   0.85115298  0.69343757  0.31366226
   0.60056043  0.83329291  0.02881297
   0.85353283  0.97666293  0.34376050
   0.91672279  0.85316756  0.17566392
   0.67030511  0.85447684  0.21422882
   0.83683739  0.57646337  0.46705255
   0.58162474  0.54938572  0.38669527
   0.60222588  0.58574277  0.56856010
   0.83099794  0.70347223  0.79767143
   0.65413195  0.77985726  0.43309585
   0.87702307  0.94923843  0.83735153
   0.91261280  0.85818143  0.65444075
   0.68086350  0.92108615  0.73806009
   0.77260020  0.65007469  0.98365409
   0.53390765  0.67855175  0.89272658
   0.65157168  0.79281434  0.59359877
   0.69616094  0.85326848  0.47375740
   0.88890941  0.25352259  0.07917307
   1.05034172  0.39470470  0.29888995
   0.30190251  0.14032601  0.66706970
   0.26729035  0.78018618  0.72192663
   0.00274593  1.11890124  0.13463313
   0.17956223  1.06924260  0.01816850
   0.63854075  0.39578872  0.86939683
   0.88736153  0.43681943  0.63029544
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915637    0.551956   -0.088168
    -0.000000    9.713318   -0.049607
    -0.000000    0.000000   14.072312
   Si   O    H 
    32    64    10
Direct configuration=  1378
   0.15752479  0.18614266 -0.04748360
   0.37320553  0.08189122  0.36953649
   0.13381013  0.41518020  0.10084737
   0.37369974  0.33738260  0.24308052
   0.10527302  0.13521184  0.48568741
   0.43063710  0.14655171  0.84967194
   0.11675077  0.39469061  0.61743731
   0.35001490  0.40144693  0.75553876
   0.13280801  0.69671531 -0.00781819
   0.41764766  0.57596759  0.35805434
   0.06875471  0.91113669  0.15383094
   0.35154223  0.83804313  0.23992918
   0.18699318  0.64803310  0.49463470
   0.37351569  0.66459958  0.85736677
   0.06469984  0.90074184  0.62127977
   0.32358252  0.99937241  0.68953299
   0.64632807  0.15653816  1.01282650
   0.85254057  0.14157284  0.34716370
   0.60067196  0.42981396  0.11936381
   0.87555265  0.34064745  0.16901275
   0.62249553  0.17156845  0.49756616
   0.87961153  0.10309699  0.88009086
   0.58342030  0.44169423  0.62155821
   0.75498520  0.37477904  0.80969734
   0.61198840  0.68050884 -0.00727940
   0.94154732  0.58886125  0.38490916
   0.57747187  0.90408285  0.12846504
   0.82114263  0.84849556  0.26997725
   0.66738183  0.61734680  0.46736926
   0.88358914  0.61981787  0.89363283
   0.60546830  0.92498331  0.63106012
   0.82992126  0.85320802  0.75323842
   0.07462588  0.07914818  0.16983641
   0.34877110  0.18543319  0.27637576
   0.10051626  0.31818436  0.01353124
   0.34003586  0.44524802  0.32959673
   0.52348512  0.37723250  0.21706432
   0.27319916  0.36928636  0.15209873
   0.25226813  0.09635259  0.44641826
   0.00879895  0.15867835  0.40123510
   0.02709287  0.03179842  0.55855936
   0.46352156  0.26162247  0.77615628
   0.11274631  0.27374129  0.54360612
   0.33249905  0.50612899  0.84898926
   0.43479666  0.46339128  0.66772966
   0.20675478  0.35613781  0.71360509
   0.29614844  0.22504657 -0.09744343
   0.03352561  0.13511624  0.88935647
   0.13299818  0.57349897  0.07284651
   0.40461537  0.67580349  0.26208841
   0.08618544  0.83823373  0.04683130
   0.36660965  0.92942499  0.33551335
   0.41620185  0.90418979  0.15006355
   0.18751232  0.83907508  0.22265046
   0.33137113  0.66090698  0.44052390
   0.08147401  0.65448687  0.40562866
   0.17085838  0.51242762  0.55686901
   0.34973462  0.75381457  0.76443064
   0.14149629  0.76679872  0.57274815
   0.39171088  1.01005912  0.79444158
   0.44047516  0.94503253  0.61902716
   0.16801852  0.94121587  0.70847046
   0.28376857  0.69830828 -0.04543613
   0.02995747  0.66986446  0.90689187
   0.60686965  0.06774768  0.11038791
   0.85593563  0.23687786  0.26223380
   0.60692231  0.31498557  0.03334222
   0.97482603  0.43269589  0.34745665
   0.02416646  0.39839597  0.18096377
   0.74952776  0.45282172  0.15603188
   0.74058117  0.20787464  0.41859829
   0.50130234  0.13376051  0.42898724
   0.66629707  0.05553581  0.57701077
   0.80078413  0.21669015  0.81181754
   0.60467435  0.31694780  0.54735507
   0.87536998  0.45688675  0.86193723
   0.96338013  0.41514996  0.66079104
   0.70396581  0.41992743  0.70131278
   0.80357013  0.11546052  0.97924209
   0.54751168  0.11059120  0.92630408
   0.55142964  0.57660709  0.06818369
   0.85129579  0.69417132  0.31232950
   0.60050497  0.83389032  0.02956272
   0.85131189  0.97691554  0.34289752
   0.91927285  0.85311604  0.17582016
   0.67155033  0.85632325  0.21645301
   0.83599259  0.57582614  0.46864110
   0.58097354  0.54930055  0.38582566
   0.60265357  0.58474362  0.56974704
   0.83155973  0.70419636  0.79875093
   0.65465522  0.78001868  0.43292651
   0.87663955  0.94841411  0.83691453
   0.91058607  0.85779360  0.65521138
   0.67893528  0.92289082  0.73783023
   0.77145923  0.65258495  0.98359921
   0.53315294  0.67871053  0.89168418
   0.65228134  0.78575539  0.59506418
   0.69072543  0.85206814  0.47040969
   0.88929689  0.25777965  0.08289658
   1.05172612  0.39780334  0.30619129
   0.30064650  0.13448654  0.66708301
   0.26722187  0.78357402  0.72426849
  -0.00680167  1.13172173  0.13368167
   0.17718135  1.06801559  0.02078056
   0.64666503  0.40091447  0.86691278
   0.88014589  0.44229271  0.62918210
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915132    0.553239   -0.088757
    -0.000000    9.714883   -0.051320
    -0.000000    0.000000   14.071211
   Si   O    H 
    32    64    10
Direct configuration=  1379
   0.15725552  0.18526497 -0.04799379
   0.37318527  0.08148945  0.36835194
   0.13471633  0.41492592  0.10007037
   0.37361378  0.33624905  0.24367150
   0.10388108  0.13683392  0.48554849
   0.43052272  0.14741122  0.84981352
   0.11636698  0.39310811  0.61765843
   0.35009583  0.40111653  0.75516443
   0.13310616  0.69734809 -0.00940698
   0.41593882  0.57643002  0.35828199
   0.06943403  0.91191475  0.15513112
   0.35089045  0.83897867  0.24035928
   0.18669828  0.64916754  0.49482040
   0.37310711  0.66626193  0.85832087
   0.06415784  0.89961883  0.62067344
   0.32182978  0.99859979  0.68913538
   0.64754206  0.15652560  1.01392297
   0.85096733  0.14309042  0.34731558
   0.60042708  0.42927662  0.11922084
   0.87512116  0.34164970  0.17045916
   0.62240791  0.17146199  0.49753729
   0.87962036  0.10315921  0.87968017
   0.58468796  0.44090002  0.62176625
   0.75407118  0.37376918  0.80934501
   0.61113341  0.67976980 -0.00785434
   0.94177447  0.58829209  0.38496001
   0.57881789  0.90304719  0.12901073
   0.82147144  0.84824294  0.26999526
   0.66825870  0.61839117  0.46672431
   0.88469012  0.62063146  0.89358076
   0.60527237  0.92441430  0.63012604
   0.82907714  0.85287701  0.75312531
   0.07547607  0.08027725  0.16875396
   0.34964096  0.18545223  0.27667569
   0.10029286  0.31503870  0.01415094
   0.34086962  0.44323168  0.33040733
   0.52232428  0.37736248  0.21750728
   0.27498019  0.36674582  0.15155805
   0.25053080  0.09566520  0.44569349
   0.00843511  0.15836510  0.40120815
   0.02930003  0.03099316  0.56007462
   0.46227528  0.26344923  0.77564934
   0.11243427  0.27397375  0.54136518
   0.33316431  0.50487397  0.84878551
   0.43432946  0.46315292  0.66648932
   0.20626692  0.35717369  0.71339739
   0.29770571  0.22482774 -0.09739718
   0.03455317  0.13471029  0.88926144
   0.13516157  0.57287419  0.07257172
   0.40664814  0.67778712  0.26132525
   0.08697822  0.83717255  0.04718430
   0.36687376  0.92868308  0.33510565
   0.41704755  0.90451036  0.15043394
   0.18949190  0.83790948  0.22365465
   0.33184462  0.66067817  0.43957150
   0.08067469  0.65360076  0.40474927
   0.17211406  0.51125223  0.55668125
   0.34948806  0.75388442  0.76367285
   0.14136412  0.76601055  0.57265016
   0.39107556  1.01145150  0.79444904
   0.43786611  0.94527776  0.62015322
   0.16693810  0.94219224  0.70742987
   0.28325328  0.70135255 -0.04555991
   0.03080780  0.66904484  0.90566082
   0.60760107  0.06687865  0.11043335
   0.85708025  0.23745017  0.26132464
   0.60844355  0.31466885  0.03375868
   0.97488011  0.43411410  0.34720182
   0.02526864  0.39697204  0.18040478
   0.75051144  0.45203406  0.15644031
   0.74150997  0.20973952  0.41850633
   0.50341768  0.13342423  0.42869653
   0.66675750  0.05522547  0.57745191
   0.80039164  0.21607900  0.81216624
   0.60601014  0.31667208  0.54771713
   0.87556818  0.45769938  0.86030752
   0.96368101  0.41510113  0.66125446
   0.70442254  0.42034178  0.70293158
   0.80318411  0.11612902  0.98057072
   0.54849569  0.11032855  0.92605149
   0.54980547  0.57797792  0.06831200
   0.85134266  0.69441164  0.31122935
   0.60078108  0.83496981  0.03044790
   0.84880960  0.97715090  0.34205451
   0.92193971  0.85359084  0.17693511
   0.67269187  0.85797269  0.21860346
   0.83494787  0.57502577  0.47049502
   0.58053048  0.54901571  0.38480214
   0.60339950  0.58409528  0.57102386
   0.83204876  0.70529667  0.79981272
   0.65514644  0.77978520  0.43300135
   0.87617740  0.94778719  0.83603519
   0.90947306  0.85696742  0.65617313
   0.67622711  0.92445225  0.73714502
   0.77155618  0.65590111  0.98337908
   0.53252297  0.67873835  0.89022763
   0.65354044  0.78258370  0.59612840
   0.68663490  0.84920495  0.47194866
   0.89043574  0.26123561  0.08462716
   1.04635778  0.40099061  0.31525623
   0.29304084  0.13490024  0.66289733
   0.27071044  0.78382249  0.73161392
  -0.01256608  1.14056318  0.13670453
   0.18147655  1.07080413  0.02311472
   0.64409604  0.40520601  0.86962025
   0.87168992  0.45067782  0.62641721
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914648    0.554863   -0.089534
    -0.000000    9.716124   -0.052763
    -0.000000    0.000000   14.069964
   Si   O    H 
    32    64    10
Direct configuration=  1380
   0.15698434  0.18456538 -0.04868043
   0.37361261  0.08138602  0.36733699
   0.13601880  0.41408085  0.09920389
   0.37277357  0.33556485  0.24424651
   0.10268505  0.13782710  0.48520291
   0.43018059  0.14746651  0.84994748
   0.11535255  0.39179755  0.61778821
   0.35020571  0.40011888  0.75493241
   0.13278276  0.69748084 -0.01060163
   0.41474775  0.57799843  0.35854624
   0.07019658  0.91197696  0.15663250
   0.35017716  0.83967045  0.24073198
   0.18605828  0.65089288  0.49478970
   0.37315324  0.66784908  0.85973588
   0.06336289  0.89877218  0.61997152
   0.32048473  0.99802380  0.68911784
   0.64831045  0.15596613  1.01486751
   0.84963690  0.14461949  0.34809190
   0.60009278  0.42905020  0.11917137
   0.87484012  0.34299492  0.17212456
   0.62251063  0.17125486  0.49738637
   0.87968580  0.10334871  0.87937624
   0.58579672  0.43948858  0.62213286
   0.75314744  0.37319298  0.80874181
   0.60973565  0.67882539 -0.00821106
   0.94090507  0.58823819  0.38482839
   0.58051905  0.90274252  0.12948610
   0.82206216  0.84797104  0.26960687
   0.66895435  0.61944738  0.46651187
   0.88542342  0.62074735  0.89368421
   0.60498760  0.92383999  0.62898094
   0.82782830  0.85343572  0.75270017
   0.07569484  0.08124031  0.16720258
   0.35068766  0.18427920  0.27678888
   0.10089107  0.31174650  0.01466340
   0.34164113  0.44170182  0.33109346
   0.52230370  0.37819912  0.21778775
   0.27638118  0.36500458  0.15032997
   0.24934560  0.09414712  0.44471009
   0.00669228  0.15845822  0.39980368
   0.03162864  0.03141959  0.56107026
   0.46107053  0.26542785  0.77513599
   0.11239820  0.27443170  0.53984385
   0.33341961  0.50374520  0.84774483
   0.43453022  0.46342320  0.66546151
   0.20597272  0.35825751  0.71328926
   0.29861967  0.22447101 -0.09731910
   0.03597417  0.13538718  0.88938379
   0.13767146  0.57177951  0.07255424
   0.40749247  0.68056108  0.26128326
   0.08796369  0.83629530  0.04755511
   0.36778483  0.92736974  0.33475511
   0.41755347  0.90494523  0.15065337
   0.18994763  0.83755927  0.22475625
   0.33240183  0.66013827  0.43923247
   0.08019837  0.65386097  0.40470693
   0.17341519  0.51077864  0.55649117
   0.34930204  0.75367221  0.76269529
   0.14077655  0.76682622  0.57224742
   0.39074045  1.01307989  0.79457417
   0.43707761  0.94593286  0.62121227
   0.16580928  0.94244935  0.70602262
   0.28269972  0.70440570 -0.04649713
   0.03176343  0.66795995  0.90463524
   0.60920237  0.06556948  0.11059993
   0.85834666  0.23875882  0.26018423
   0.61007641  0.31476710  0.03422041
   0.97357390  0.43594129  0.34795901
   0.02578747  0.39552335  0.18037557
   0.75193753  0.45182544  0.15679038
   0.74165999  0.21090989  0.41827699
   0.50500130  0.13270369  0.42815544
   0.66680435  0.05519396  0.57769983
   0.80036907  0.21520169  0.81236276
   0.60662290  0.31647849  0.54828218
   0.87616639  0.45909496  0.85869867
   0.96403769  0.41550932  0.66137953
   0.70435006  0.42104764  0.70419895
   0.80313627  0.11680124  0.98202665
   0.54907456  0.10999672  0.92532285
   0.54863772  0.57797312  0.06855757
   0.85196724  0.69438668  0.31046184
   0.60130984  0.83605650  0.03105196
   0.84595265  0.97758086  0.34099110
   0.92428542  0.85454142  0.17856090
   0.67386431  0.85897876  0.22050906
   0.83345064  0.57464722  0.47230123
   0.57983438  0.54812601  0.38429471
   0.60401376  0.58403113  0.57161312
   0.83254991  0.70626838  0.80060855
   0.65590322  0.77910424  0.43254257
   0.87545457  0.94837350  0.83521340
   0.90899635  0.85572350  0.65737791
   0.67328488  0.92591489  0.73622960
   0.77243158  0.65770341  0.98271651
   0.53132719  0.67891986  0.88854956
   0.65167087  0.78436205  0.59579290
   0.68783824  0.85291708  0.47554870
   0.88797589  0.25898870  0.08635971
   1.05501428  0.39840441  0.31855747
   0.28560795  0.14132925  0.65585402
   0.26562505  0.78511212  0.73837340
  -0.00499631  1.14168834  0.14263306
   0.18465476  1.07368090  0.02392669
   0.63833558  0.40908596  0.87400693
   0.87686931  0.45418707  0.62731169
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914630    0.555790   -0.089873
    -0.000000    9.717602   -0.053594
    -0.000000    0.000000   14.068834
   Si   O    H 
    32    64    10
Direct configuration=  1381
   0.15746526  0.18325860 -0.04927993
   0.37368709  0.08161194  0.36660504
   0.13749253  0.41379391  0.09831142
   0.37170208  0.33496165  0.24490776
   0.10128259  0.13848503  0.48472242
   0.42935668  0.14671028  0.85053717
   0.11472176  0.39052987  0.61839668
   0.35126420  0.39865625  0.75455163
   0.13290809  0.69714547 -0.01154791
   0.41365745  0.57993201  0.35903426
   0.07100211  0.91167762  0.15782845
   0.34867170  0.84025307  0.24137544
   0.18527364  0.65239204  0.49495312
   0.37247666  0.66831109  0.86167971
   0.06214377  0.89773010  0.61958038
   0.31847214  0.99843088  0.68932217
   0.64916993  0.15536527  1.01529445
   0.84942293  0.14600051  0.34897641
   0.59959564  0.42930229  0.11952125
   0.87488184  0.34414838  0.17339110
   0.62348821  0.17039073  0.49725476
   0.88044390  0.10323976  0.87889883
   0.58655410  0.43847633  0.62268029
   0.75178588  0.37335212  0.80811785
   0.60852803  0.67837399 -0.00850472
   0.93966471  0.58870820  0.38458382
   0.58200883  0.90280942  0.12956442
   0.82307269  0.84792099  0.26915774
   0.66937550  0.62072004  0.46629014
   0.88582697  0.62025988  0.89406189
   0.60460308  0.92300396  0.62811472
   0.82603217  0.85478585  0.75204191
   0.07548441  0.08157605  0.16544307
   0.35181763  0.18265427  0.27700954
   0.10139020  0.30944659  0.01457618
   0.34216956  0.44000103  0.33200078
   0.52293409  0.37844568  0.21728511
   0.27769667  0.36251526  0.14936391
   0.24760391  0.09183545  0.44396720
   0.00445004  0.15846443  0.39781117
   0.03300981  0.03166594  0.56123816
   0.46023626  0.26671811  0.77413838
   0.11189266  0.27512110  0.53864818
   0.33437863  0.50189773  0.84620920
   0.43457166  0.46402477  0.66458871
   0.20575764  0.35837727  0.71345659
   0.29910907  0.22379870 -0.09722733
   0.03724273  0.13480646  0.88927427
   0.13997970  0.57135783  0.07289010
   0.40847949  0.68264723  0.26167996
   0.08837322  0.83591964  0.04789379
   0.36831359  0.92597921  0.33467911
   0.41836046  0.90519195  0.15024140
   0.19008623  0.83720028  0.22571263
   0.33199765  0.65991176  0.43898797
   0.08025690  0.65407406  0.40464932
   0.17540422  0.51093837  0.55682476
   0.34995428  0.75251757  0.76173196
   0.14032120  0.76669077  0.57200087
   0.38995044  1.01466159  0.79457950
   0.43735560  0.94593702  0.62212122
   0.16508767  0.94234813  0.70441280
   0.28357913  0.70721443 -0.04785862
   0.03285617  0.66774382  0.90409039
   0.61013188  0.06510131  0.11066935
   0.85974664  0.23955892  0.25898140
   0.61148352  0.31533258  0.03481803
   0.97219056  0.43715408  0.34861652
   0.02469524  0.39443781  0.18019836
   0.75289779  0.45195670  0.15717822
   0.74064301  0.21147999  0.41840165
   0.50583684  0.13261810  0.42760810
   0.66699529  0.05533047  0.57749943
   0.80048441  0.21449162  0.81223476
   0.60715243  0.31630502  0.54886670
   0.87693340  0.46033805  0.85781584
   0.96307610  0.41679264  0.66111980
   0.70497518  0.42260348  0.70557632
   0.80297956  0.11676716  0.98327914
   0.54917610  0.10939619  0.92502872
   0.54664381  0.57773565  0.06941221
   0.85264271  0.69395193  0.30944232
   0.60220293  0.83606220  0.03091735
   0.84277058  0.97788197  0.33949309
   0.92604788  0.85528048  0.18028783
   0.67484026  0.85970700  0.22292025
   0.83200057  0.57439956  0.47366249
   0.57874274  0.54808658  0.38429017
   0.60547305  0.58392259  0.57168072
   0.83283963  0.70691666  0.80155183
   0.65703620  0.77884436  0.43206181
   0.87513343  0.94875227  0.83414398
   0.90952321  0.85497229  0.65754659
   0.67104741  0.92709238  0.73535201
   0.77442712  0.65909614  0.98204913
   0.52992196  0.67864949  0.88674345
   0.64830280  0.78827645  0.59488483
   0.68709625  0.85192621  0.47734358
   0.88595482  0.25497960  0.08605703
   1.06207561  0.39487272  0.32313286
   0.27766353  0.14405147  0.64989973
   0.24988459  0.78561970  0.74323106
   0.00711252  1.13782537  0.14961819
   0.18893821  1.07713284  0.02244181
   0.63289176  0.41132020  0.87632453
   0.89465475  0.45322970  0.63000475
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914686    0.556995   -0.090274
    -0.000000    9.719207   -0.054281
    -0.000000    0.000000   14.067642
   Si   O    H 
    32    64    10
Direct configuration=  1382
   0.15843660  0.18243451 -0.04927004
   0.37345963  0.08207434  0.36610815
   0.13903873  0.41294374  0.09719299
   0.37061494  0.33508620  0.24521601
   0.10008789  0.13854035  0.48413396
   0.42879610  0.14604848  0.85120645
   0.11406337  0.38955717  0.61927155
   0.35252211  0.39740516  0.75447506
   0.13256106  0.69635252 -0.01211199
   0.41300044  0.58257476  0.35944904
   0.07157611  0.91125574  0.15869118
   0.34757584  0.84033144  0.24179922
   0.18432747  0.65335852  0.49499773
   0.37102032  0.66836410  0.86316391
   0.06121067  0.89648185  0.61970009
   0.31654235  0.99915534  0.68988540
   0.64920125  0.15464126  1.01530808
   0.84960212  0.14706518  0.34991722
   0.59953154  0.42976341  0.12011578
   0.87459863  0.34475224  0.17450692
   0.62517909  0.16973838  0.49716257
   0.88107165  0.10276753  0.87809420
   0.58711127  0.43861014  0.62360965
   0.75111137  0.37440138  0.80775087
   0.60766299  0.67790705 -0.00911959
   0.93820936  0.58909426  0.38453727
   0.58372376  0.90342969  0.12970350
   0.82398297  0.84817209  0.26880184
   0.66954726  0.62121006  0.46638917
   0.88563723  0.61970181  0.89432126
   0.60431755  0.92196597  0.62747457
   0.82303039  0.85623132  0.75117022
   0.07554895  0.08097848  0.16461007
   0.35302539  0.18032418  0.27691426
   0.10129199  0.30695517  0.01431647
   0.34268048  0.43812393  0.33286802
   0.52396838  0.37822983  0.21668959
   0.27897770  0.35969101  0.14851683
   0.24604625  0.08877130  0.44347129
   0.00131447  0.15813651  0.39558346
   0.03454355  0.03271443  0.56081214
   0.46053427  0.26785412  0.77331179
   0.11195629  0.27602203  0.53778597
   0.33560935  0.50042830  0.84467749
   0.43510819  0.46416744  0.66487784
   0.20612877  0.35807893  0.71349143
   0.29939769  0.22356328 -0.09685182
   0.03834983  0.13329598  0.88955518
   0.14228994  0.57159185  0.07314964
   0.40958860  0.68436216  0.26249470
   0.08858844  0.83599743  0.04802475
   0.36957852  0.92444441  0.33429520
   0.41904569  0.90500939  0.14999451
   0.18948643  0.83702392  0.22632436
   0.33179441  0.66010978  0.43910925
   0.08059520  0.65381605  0.40467286
   0.17800075  0.51163278  0.55734029
   0.35118437  0.75134254  0.76085595
   0.13988762  0.76699029  0.57127436
   0.38855984  1.01481874  0.79434674
   0.43882281  0.94553667  0.62279084
   0.16459824  0.94187405  0.70313034
   0.28409369  0.70988750 -0.04842478
   0.03399812  0.66754775  0.90323933
   0.61099304  0.06494084  0.10944832
   0.86107406  0.24004126  0.25737593
   0.61226270  0.31670153  0.03531996
   0.97147558  0.43795604  0.34951270
   0.02292104  0.39368630  0.17979550
   0.75338013  0.45319851  0.15743787
   0.73960764  0.21205700  0.41867630
   0.50584341  0.13191346  0.42758808
   0.66670329  0.05527952  0.57672680
   0.80081645  0.21373071  0.81232889
   0.60757631  0.31681703  0.54965138
   0.87718014  0.46147329  0.85688379
   0.96501781  0.41731105  0.66225361
   0.70554638  0.42366104  0.70691165
   0.80287675  0.11709539  0.98467406
   0.54959308  0.10929320  0.92566099
   0.54489872  0.57625411  0.07035513
   0.85325161  0.69327681  0.30921398
   0.60294547  0.83525167  0.03035382
   0.83947547  0.97815920  0.33841451
   0.92749059  0.85593217  0.18214921
   0.67526280  0.86038592  0.22442363
   0.83078642  0.57416191  0.47463043
   0.57705122  0.54761628  0.38356649
   0.60703474  0.58377348  0.57098747
   0.83295340  0.70763394  0.80238120
   0.65798231  0.77896771  0.43158864
   0.87475264  0.94925439  0.83407206
   0.91084741  0.85458090  0.65737698
   0.66949072  0.92818633  0.73460176
   0.77623952  0.66002512  0.98138407
   0.52964312  0.67929354  0.88563174
   0.64406519  0.79402752  0.59189262
   0.68670226  0.84340422  0.47620201
   0.88041747  0.25095052  0.08718407
   1.05980651  0.39862677  0.33059437
   0.27051332  0.14347915  0.64208740
   0.24649693  0.77896781  0.74780832
   0.00299408  1.14621797  0.15075499
   0.19062496  1.07644936  0.01995352
   0.62966039  0.41151377  0.87584210
   0.88996891  0.46449500  0.62232188
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914519    0.557616   -0.090717
    -0.000000    9.720882   -0.054450
    -0.000000    0.000000   14.066877
   Si   O    H 
    32    64    10
Direct configuration=  1383
   0.15966330  0.18201241 -0.04882949
   0.37292583  0.08256345  0.36639373
   0.14016390  0.41234387  0.09624893
   0.36993419  0.33502520  0.24504542
   0.09918780  0.13841205  0.48363115
   0.42832529  0.14597794  0.85167776
   0.11315713  0.38938696  0.61982944
   0.35432242  0.39668603  0.75441387
   0.13198281  0.69616255 -0.01207331
   0.41267475  0.58474189  0.35933476
   0.07208749  0.91081296  0.15910222
   0.34709542  0.84017343  0.24169492
   0.18320922  0.65439642  0.49495377
   0.37002655  0.66862263  0.86445252
   0.06056376  0.89443729  0.61956428
   0.31522423  0.99959086  0.69041524
   0.64874827  0.15383648  1.01575181
   0.84984750  0.14828958  0.35129719
   0.59903679  0.42965072  0.12093635
   0.87413227  0.34499914  0.17545532
   0.62670788  0.16911200  0.49677325
   0.88157653  0.10254817  0.87756859
   0.58750108  0.43925947  0.62456843
   0.75085982  0.37504867  0.80780867
   0.60698397  0.67770453 -0.00982238
   0.93676934  0.59023752  0.38394444
   0.58494067  0.90398990  0.12982905
   0.82516676  0.84871292  0.26804238
   0.66955057  0.62179199  0.46598776
   0.88516431  0.61927589  0.89359157
   0.60407212  0.92170619  0.62665574
   0.81978368  0.85772435  0.75029815
   0.07633217  0.08036199  0.16320408
   0.35397921  0.17916206  0.27729378
   0.10144592  0.30512134  0.01431621
   0.34281094  0.43668425  0.33344026
   0.52555837  0.37714367  0.21622550
   0.27991522  0.35721890  0.14745863
   0.24579204  0.08597897  0.44303108
  -0.00211361  0.15756015  0.39312533
   0.03623720  0.03356303  0.55991343
   0.46092184  0.26850892  0.77254088
   0.11274466  0.27696768  0.53774950
   0.33706942  0.49910226  0.84361627
   0.43642165  0.46393791  0.66465418
   0.20659560  0.35803678  0.71346699
   0.30019462  0.22339376 -0.09666129
   0.03970179  0.13197662  0.88927493
   0.14391814  0.57257633  0.07303508
   0.41082524  0.68581197  0.26301868
   0.08881905  0.83612875  0.04802264
   0.37106472  0.92263906  0.33436626
   0.42003954  0.90430166  0.14960579
   0.18794112  0.83684618  0.22638038
   0.33127686  0.66074511  0.44002047
   0.08147743  0.65518492  0.40485020
   0.18059880  0.51207090  0.55775156
   0.35171437  0.75081113  0.75990400
   0.13875076  0.76649846  0.57041566
   0.38740808  1.01535272  0.79434059
   0.44033088  0.94500209  0.62267067
   0.16365604  0.94135259  0.70192867
   0.28340410  0.71273043 -0.04900392
   0.03546350  0.66716182  0.90243876
   0.61321887  0.06550924  0.10837640
   0.86238384  0.24027146  0.25608601
   0.61326674  0.31823978  0.03595098
   0.97035147  0.43789983  0.34957735
   0.02153513  0.39300638  0.17948480
   0.75395053  0.45502444  0.15847468
   0.73867136  0.21296683  0.41865132
   0.50506268  0.13071167  0.42789157
   0.66639903  0.05554335  0.57584959
   0.80131494  0.21188269  0.81204899
   0.60792810  0.31718571  0.55054398
   0.87708896  0.46283060  0.85623933
   0.96583011  0.41831407  0.66321052
   0.70683199  0.42480995  0.70791463
   0.80351091  0.11742764  0.98526876
   0.54984227  0.10818377  0.92579974
   0.54299006  0.57445288  0.07070146
   0.85453199  0.69206106  0.30922234
   0.60437476  0.83335561  0.02967977
   0.83638452  0.97874257  0.33799267
   0.92865443  0.85635803  0.18396599
   0.67519681  0.86094247  0.22525918
   0.82952672  0.57352467  0.47536760
   0.57490465  0.54669097  0.38302232
   0.60934304  0.58373731  0.57009058
   0.83273964  0.70716915  0.80261825
   0.65815211  0.77912233  0.43100532
   0.87503392  0.95061060  0.83403447
   0.91310622  0.85400477  0.65704671
   0.66741361  0.92885183  0.73394675
   0.77759282  0.66040794  0.98099191
   0.52929555  0.67970863  0.88495584
   0.64305937  0.79223081  0.58570722
   0.68738250  0.84152470  0.47608274
   0.87222243  0.25107998  0.08795167
   1.05499187  0.40362893  0.33739090
   0.26599444  0.13606055  0.63733547
   0.25464691  0.77009417  0.75169973
  -0.00446601  1.15519249  0.15029998
   0.19465326  1.07029273  0.01791491
   0.63046714  0.40933137  0.87267672
   0.89172921  0.46923813  0.61877977
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914495    0.557675   -0.091079
    -0.000000    9.722661   -0.054649
    -0.000000    0.000000   14.066030
   Si   O    H 
    32    64    10
Direct configuration=  1384
   0.16112388  0.18151226 -0.04794681
   0.37229983  0.08293218  0.36685915
   0.14112259  0.41181426  0.09562850
   0.36995840  0.33458093  0.24458785
   0.09821111  0.13758189  0.48304306
   0.42833888  0.14659594  0.85216483
   0.11296393  0.38957276  0.62021231
   0.35529104  0.39606395  0.75404933
   0.13179860  0.69638359 -0.01168018
   0.41222610  0.58633450  0.35910271
   0.07194300  0.91042930  0.15889531
   0.34680759  0.83977453  0.24137035
   0.18182460  0.65539562  0.49471326
   0.36967086  0.66873025  0.86507428
   0.05960381  0.89284976  0.61918331
   0.31425869  0.99974784  0.69091618
   0.64856797  0.15312902  1.01603958
   0.85019656  0.14886626  0.35230279
   0.59873851  0.43013346  0.12216228
   0.87364695  0.34495775  0.17577194
   0.62886992  0.16880688  0.49646221
   0.88155395  0.10223121  0.87736277
   0.58843953  0.43984243  0.62584814
   0.75082398  0.37589044  0.80815848
   0.60642734  0.67757251 -0.01034807
   0.93553004  0.59088877  0.38330960
   0.58597269  0.90493941  0.13009535
   0.82568499  0.84961467  0.26770322
   0.66964640  0.62180724  0.46603508
   0.88431323  0.61811778  0.89272084
   0.60365628  0.92116796  0.62604500
   0.81690916  0.85847199  0.75017175
   0.07715236  0.07998120  0.16196471
   0.35527999  0.17822421  0.27779508
   0.10162801  0.30358897  0.01474588
   0.34236439  0.43529779  0.33397025
   0.52660865  0.37584431  0.21642398
   0.28011786  0.35502843  0.14664052
   0.24552845  0.08398894  0.44285489
  -0.00504921  0.15702937  0.39128798
   0.03760533  0.03428743  0.55946800
   0.46210453  0.26868220  0.77256469
   0.11375863  0.27765971  0.53776671
   0.33876807  0.49873597  0.84260295
   0.43782304  0.46403378  0.66425183
   0.20682647  0.35808221  0.71356374
   0.30066819  0.22255973 -0.09660672
   0.04108471  0.12991735  0.88922675
   0.14541327  0.57331097  0.07242306
   0.41161702  0.68705417  0.26356372
   0.08890607  0.83669865  0.04803507
   0.37222717  0.92213474  0.33483724
   0.42074175  0.90387120  0.14949027
   0.18597148  0.83639234  0.22684805
   0.33035757  0.66105929  0.44151627
   0.08170985  0.65640817  0.40556154
   0.18164340  0.51248092  0.55789908
   0.35185820  0.74988601  0.75928611
   0.13795951  0.76677070  0.57001256
   0.38583247  1.01530178  0.79464715
   0.44210215  0.94476889  0.62243001
   0.16276834  0.94134179  0.70147881
   0.28204216  0.71572408 -0.04912793
   0.03718931  0.66558985  0.90143251
   0.61444329  0.06553767  0.10702470
   0.86320777  0.24027930  0.25504962
   0.61478508  0.31905241  0.03693933
   0.96931384  0.43809126  0.35033846
   0.02087325  0.39204286  0.17933901
   0.75405991  0.45700834  0.15970348
   0.73764833  0.21380102  0.41895543
   0.50357680  0.12977245  0.42823479
   0.66641065  0.05555136  0.57480002
   0.80248113  0.21067313  0.81147216
   0.60847853  0.31660869  0.55104733
   0.87597307  0.46366739  0.85486652
   0.96593256  0.42021428  0.66389617
   0.70797772  0.42709833  0.70875957
   0.80310214  0.11795044  0.98570984
   0.55062443  0.10689382  0.92595002
   0.54209529  0.57369641  0.07089080
   0.85638710  0.69113649  0.30978875
   0.60558264  0.83225119  0.02856322
   0.83349365  0.97937718  0.33713982
   0.93009601  0.85732070  0.18561703
   0.67486415  0.86085075  0.22613432
   0.82829576  0.57261620  0.47562181
   0.57311734  0.54610054  0.38267989
   0.61207935  0.58433181  0.56953689
   0.83184086  0.70719342  0.80241935
   0.65813127  0.77932253  0.42985651
   0.87592742  0.95139120  0.83536083
   0.91593843  0.85352663  0.65694433
   0.66552768  0.92954950  0.73312279
   0.77876633  0.66025936  0.98045146
   0.52908294  0.68028937  0.88502035
   0.64254408  0.78847326  0.58065613
   0.69022715  0.84699362  0.47754142
   0.86552160  0.25461562  0.09085040
   1.06398034  0.40331129  0.33739209
   0.26665293  0.12789311  0.63545339
   0.26205965  0.76340790  0.75555215
  -0.00464742  1.15456520  0.14864166
   0.20155174  1.06514085  0.01490793
   0.63340075  0.40784597  0.86741552
   0.90080723  0.46838423  0.62011189
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914644    0.557510   -0.091497
    -0.000000    9.724571   -0.054836
    -0.000000    0.000000   14.065050
   Si   O    H 
    32    64    10
Direct configuration=  1385
   0.16295639  0.18079168 -0.04692512
   0.37195513  0.08352280  0.36750982
   0.14139458  0.41148559  0.09553320
   0.37025713  0.33485169  0.24436990
   0.09726527  0.13651839  0.48264005
   0.42847923  0.14737474  0.85261485
   0.11257462  0.38992248  0.62016945
   0.35635451  0.39528673  0.75363667
   0.13131100  0.69671102 -0.01111048
   0.41210472  0.58791618  0.35876884
   0.07217983  0.91011894  0.15865027
   0.34700856  0.83950328  0.24120644
   0.18016983  0.65541571  0.49472505
   0.36989564  0.66874635  0.86519880
   0.05909330  0.89185068  0.61849937
   0.31329794  0.99987145  0.69134894
   0.64877475  0.15220913  1.01654166
   0.85049586  0.14961675  0.35251371
   0.59866293  0.43021903  0.12316966
   0.87357747  0.34422753  0.17608522
   0.63015252  0.16799693  0.49627011
   0.88091997  0.10172680  0.87809736
   0.58979017  0.44052021  0.62688073
   0.75059975  0.37619313  0.80857110
   0.60632027  0.67692109 -0.01077292
   0.93428222  0.59137425  0.38308063
   0.58694991  0.90626279  0.13007353
   0.82637107  0.84977245  0.26806605
   0.66899323  0.62147006  0.46629144
   0.88353189  0.61717342  0.89170565
   0.60332762  0.92065716  0.62582611
   0.81403304  0.85943617  0.75050738
   0.07769391  0.08017659  0.16043381
   0.35585532  0.17665962  0.27788339
   0.10150797  0.30278906  0.01521482
   0.34165621  0.43405505  0.33456968
   0.52738365  0.37449537  0.21655819
   0.27993097  0.35311032  0.14620874
   0.24521288  0.08190678  0.44226199
  -0.00610802  0.15717415  0.39035198
   0.03936306  0.03471060  0.55934413
   0.46295737  0.26793784  0.77229888
   0.11456522  0.27820409  0.53792817
   0.33992115  0.49818616  0.84233316
   0.43914253  0.46484507  0.66420971
   0.20739401  0.35785920  0.71383733
   0.30142786  0.22201959 -0.09727091
   0.04261143  0.12806865  0.88844872
   0.14653174  0.57384881  0.07189129
   0.41122000  0.68804248  0.26474541
   0.08884563  0.83780147  0.04850877
   0.37325326  0.92189473  0.33544064
   0.42187773  0.90275526  0.14949565
   0.18433972  0.83563188  0.22738623
   0.32875890  0.66201489  0.44354891
   0.08177431  0.65734897  0.40685541
   0.18273765  0.51355633  0.55853689
   0.35305748  0.74862289  0.75871564
   0.13738890  0.76746202  0.57000587
   0.38455220  1.01495493  0.79519838
   0.44345218  0.94453750  0.62215580
   0.16203594  0.94026317  0.70125969
   0.28081995  0.71897261 -0.04852320
   0.03908396  0.66398158  0.90000293
   0.61556359  0.06566504  0.10597843
   0.86355909  0.23917958  0.25474591
   0.61543406  0.31954287  0.03766177
   0.96843860  0.43934244  0.35112727
   0.02087474  0.39095300  0.17864867
   0.75447580  0.45908612  0.16043887
   0.73714296  0.21444612  0.41962435
   0.50265986  0.13002011  0.42833590
   0.66639229  0.05522156  0.57385599
   0.80336294  0.20999919  0.81064670
   0.60820226  0.31666177  0.55178361
   0.87542422  0.46420139  0.85366607
   0.96569099  0.42169301  0.66468915
   0.70806337  0.42957115  0.70853341
   0.80360048  0.11843411  0.98578791
   0.55037530  0.10678644  0.92606387
   0.54132543  0.57289524  0.07109680
   0.85719360  0.69032798  0.31043234
   0.60623833  0.83236181  0.02808875
   0.83077648  0.98002859  0.33602890
   0.93173435  0.85883300  0.18771157
   0.67414490  0.85986240  0.22666326
   0.82753017  0.57219161  0.47519080
   0.57154863  0.54588419  0.38251224
   0.61426601  0.58523589  0.56926701
   0.83047854  0.70778169  0.80193895
   0.65887612  0.77945136  0.42880016
   0.87687729  0.95193758  0.83680693
   0.91767070  0.85290003  0.65656316
   0.66288593  0.93051342  0.73215651
   0.77960609  0.66025515  0.98023344
   0.52888994  0.68021707  0.88521761
   0.64184578  0.78959241  0.57900198
   0.69311324  0.84642197  0.47381152
   0.86510784  0.25602444  0.09343098
   1.06814656  0.40503081  0.33596590
   0.26760500  0.11757926  0.63696419
   0.24862617  0.76006586  0.75410878
   0.00494154  1.14618815  0.14697341
   0.20901277  1.05988677  0.01138798
   0.63469716  0.40394607  0.86277721
   0.91373684  0.46239552  0.62099040
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915100    0.557230   -0.091649
    -0.000000    9.726453   -0.054711
    -0.000000    0.000000   14.063593
   Si   O    H 
    32    64    10
Direct configuration=  1386
   0.16458283  0.17975905 -0.04590466
   0.37191056  0.08357717  0.36825908
   0.14085815  0.41126507  0.09508799
   0.37071861  0.33506137  0.24416267
   0.09613620  0.13583189  0.48202196
   0.42887085  0.14856510  0.85288884
   0.11231014  0.39027995  0.62025832
   0.35700746  0.39465445  0.75323762
   0.13128776  0.69709703 -0.01017041
   0.41167004  0.58906508  0.35859426
   0.07226264  0.90984620  0.15829582
   0.34704433  0.83900603  0.24078468
   0.17857015  0.65551362  0.49479962
   0.36997548  0.66844554  0.86494191
   0.05820424  0.89134440  0.61780399
   0.31311783  0.99993201  0.69146244
   0.64885790  0.15185867  1.01648272
   0.84981061  0.15070316  0.35259363
   0.59871047  0.43043774  0.12425346
   0.87339557  0.34351401  0.17569238
   0.63090282  0.16779862  0.49624980
   0.88062609  0.10145603  0.87894050
   0.59119344  0.44097160  0.62810758
   0.75028916  0.37639460  0.80900687
   0.60635117  0.67706113 -0.01105215
   0.93309077  0.59253687  0.38333945
   0.58728480  0.90725771  0.13018602
   0.82622928  0.85026265  0.26835674
   0.66761384  0.62032427  0.46642507
   0.88228955  0.61675262  0.89059527
   0.60343785  0.92072274  0.62573709
   0.81174166  0.86066361  0.75081635
   0.07970438  0.07998459  0.15899613
   0.35585468  0.17603084  0.27754892
   0.10187495  0.30233876  0.01560426
   0.34059280  0.43284887  0.33558723
   0.52768834  0.37333009  0.21613447
   0.28011236  0.35203803  0.14643301
   0.24421094  0.08014119  0.44201347
  -0.00650804  0.15722918  0.38960011
   0.04088261  0.03461381  0.55923542
   0.46392749  0.26655120  0.77240774
   0.11502330  0.27761851  0.53899769
   0.34018401  0.49972540  0.84243375
   0.44036712  0.46452476  0.66399737
   0.20881486  0.35735299  0.71399652
   0.30221205  0.22207623 -0.09757119
   0.04405093  0.12625808  0.88724803
   0.14727820  0.57437752  0.07097349
   0.41055424  0.68847075  0.26564127
   0.08938275  0.83910184  0.04866744
   0.37510889  0.92301165  0.33575853
   0.42287552  0.90222127  0.14936685
   0.18336437  0.83554901  0.22751585
   0.32713995  0.66356113  0.44568479
   0.08099897  0.65847090  0.40808096
   0.18415790  0.51467080  0.55916427
   0.35360310  0.74716226  0.75853855
   0.13677025  0.76880802  0.56956430
   0.38290644  1.01475357  0.79609767
   0.44453985  0.94438425  0.62230746
   0.16169852  0.93919322  0.70160787
   0.28036266  0.72117126 -0.04788318
   0.04065423  0.66212878  0.89874808
   0.61664205  0.06498950  0.10497267
   0.86382606  0.23793864  0.25506155
   0.61588391  0.31945485  0.03778441
   0.96781699  0.43922322  0.35116803
   0.02182387  0.38937946  0.17820913
   0.75317250  0.46130337  0.16112805
   0.73709622  0.21427166  0.42043736
   0.50234871  0.12946315  0.42860381
   0.66640957  0.05362122  0.57323064
   0.80339382  0.20939893  0.80978718
   0.60737203  0.31629351  0.55274153
   0.87486168  0.46489194  0.85246412
   0.96700688  0.42284206  0.66612504
   0.70783595  0.43290097  0.70792111
   0.80383065  0.11807745  0.98518814
   0.55023716  0.10592914  0.92578600
   0.54046802  0.57231377  0.07091750
   0.85671403  0.69011929  0.31081738
   0.60643227  0.83214751  0.02806099
   0.82843823  0.98125963  0.33537153
   0.93280116  0.86025334  0.18881352
   0.67276105  0.85858135  0.22720885
   0.82677909  0.57263446  0.47486848
   0.57056095  0.54584495  0.38322594
   0.61692345  0.58581224  0.56903129
   0.82993547  0.70822512  0.80118399
   0.65938834  0.77908000  0.42758856
   0.87811938  0.95274325  0.83827448
   0.91852842  0.85162995  0.65604028
   0.66109345  0.93052500  0.73150007
   0.78024139  0.65950548  0.98025823
   0.52901307  0.67956592  0.88596513
   0.63974862  0.79136644  0.58009491
   0.70007602  0.84179456  0.46849485
   0.86497298  0.25695937  0.09537367
   1.06103135  0.40821245  0.33551777
   0.26620020  0.11520530  0.63992806
   0.24436741  0.75948694  0.74981482
   0.00872484  1.14170421  0.14381441
   0.21714709  1.05853786  0.00882773
   0.62952435  0.39669123  0.86025544
   0.91082195  0.46697090  0.60990913
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915729    0.556196   -0.091907
    -0.000000    9.729130   -0.055028
    -0.000000    0.000000   14.062139
   Si   O    H 
    32    64    10
Direct configuration=  1387
   0.16666564  0.17832353 -0.04522065
   0.37168108  0.08289254  0.36912704
   0.14053873  0.41110520  0.09535310
   0.37073542  0.33534505  0.24401011
   0.09568607  0.13547750  0.48126895
   0.42907769  0.14966006  0.85329636
   0.11228141  0.39061201  0.62038438
   0.35768185  0.39471137  0.75248973
   0.13128629  0.69755198 -0.00919977
   0.41139895  0.59019096  0.35840743
   0.07310504  0.90986227  0.15763451
   0.34789928  0.83875996  0.24068041
   0.17722773  0.65517718  0.49467443
   0.36985795  0.66786341  0.86391623
   0.05734641  0.89078995  0.61698478
   0.31358559  0.99976902  0.69172079
   0.64894291  0.15202862  1.01583010
   0.84795649  0.15160049  0.35246866
   0.59951046  0.43060495  0.12512790
   0.87353511  0.34329268  0.17514844
   0.63095333  0.16866956  0.49638371
   0.88009795  0.10160206  0.88000175
   0.59216860  0.44131671  0.62872022
   0.75029266  0.37672539  0.80947519
   0.60674985  0.67635372 -0.01149406
   0.93210507  0.59326953  0.38352843
   0.58711296  0.90804232  0.13057786
   0.82613321  0.85026339  0.26883493
   0.66637071  0.61865575  0.46631211
   0.88128493  0.61672834  0.88988543
   0.60399964  0.92043400  0.62517570
   0.80974462  0.86118700  0.75156612
   0.08168583  0.07876283  0.15801242
   0.35507097  0.17588706  0.27781494
   0.10091294  0.30276708  0.01587835
   0.34030896  0.43205660  0.33681929
   0.52760211  0.37139117  0.21572329
   0.27954182  0.35221389  0.14680090
   0.24279762  0.07856990  0.44213347
  -0.00569739  0.15680346  0.38901818
   0.04212793  0.03329837  0.55920217
   0.46470924  0.26560171  0.77216948
   0.11628349  0.27719695  0.53920147
   0.34101143  0.50116010  0.84221957
   0.44129397  0.46356464  0.66371842
   0.20925866  0.35753816  0.71389711
   0.30406583  0.22231694 -0.09774468
   0.04495386  0.12479211  0.88576617
   0.14773149  0.57439254  0.06995186
   0.41041693  0.68778435  0.26658361
   0.08919721  0.84050780  0.04936403
   0.37692022  0.92372664  0.33622890
   0.42454061  0.90137665  0.14929031
   0.18187184  0.83531989  0.22768544
   0.32577316  0.66461029  0.44771762
   0.07908996  0.65944452  0.40873590
   0.18483483  0.51579917  0.55966671
   0.35324811  0.74586550  0.75888155
   0.13609965  0.76965000  0.56899003
   0.38125697  1.01448603  0.79704899
   0.44510550  0.94412297  0.62258807
   0.16137506  0.93773725  0.70177781
   0.28059119  0.72317496 -0.04746628
   0.04115158  0.66035406  0.89753375
   0.61800233  0.06558801  0.10407504
   0.86370389  0.23575718  0.25598602
   0.61615625  0.31906156  0.03806263
   0.96776791  0.43877905  0.35133131
   0.02326145  0.38902189  0.17786023
   0.75282531  0.46377944  0.16167568
   0.73719820  0.21355548  0.42108251
   0.50215426  0.12844688  0.42876730
   0.66634307  0.05234936  0.57268293
   0.80278989  0.20951505  0.80912824
   0.60589050  0.31510422  0.55356885
   0.87386448  0.46518761  0.85159886
   0.96787441  0.42418425  0.66702291
   0.70789495  0.43677239  0.70752300
   0.80418768  0.11775958  0.98399403
   0.55030353  0.10505016  0.92532888
   0.53982776  0.57166145  0.07106809
   0.85593433  0.69123551  0.31074713
   0.60590474  0.83125741  0.02792811
   0.82686525  0.98251461  0.33489405
   0.93367830  0.86153743  0.18964593
   0.67055479  0.85775403  0.22687656
   0.82634079  0.57250102  0.47442795
   0.56924507  0.54593555  0.38390532
   0.61971041  0.58597145  0.56893090
   0.82899104  0.70934643  0.80011657
   0.65908504  0.77922564  0.42689660
   0.87944066  0.95281648  0.83932266
   0.91879781  0.84939515  0.65627921
   0.65984064  0.93014981  0.73153442
   0.78067895  0.65861344  0.98066739
   0.52939092  0.67909252  0.88707236
   0.63988026  0.79311142  0.58062110
   0.70874292  0.84171525  0.46728515
   0.86719977  0.25495933  0.09454593
   1.04821855  0.41421716  0.33485486
   0.26313805  0.11926632  0.63970092
   0.25145865  0.75891867  0.74357490
   0.00518819  1.14032155  0.13815031
   0.22429757  1.05711294  0.00858237
   0.62690428  0.39024410  0.85933818
   0.91181975  0.46595869  0.60333301
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916113    0.555732   -0.091959
    -0.000000    9.732010   -0.054805
    -0.000000    0.000000   14.060416
   Si   O    H 
    32    64    10
Direct configuration=  1388
   0.16930971  0.17596759 -0.04427099
   0.37236050  0.08272049  0.37014649
   0.13996937  0.41108648  0.09573100
   0.37103902  0.33576651  0.24377531
   0.09593716  0.13514625  0.48094068
   0.43029475  0.14991048  0.85340096
   0.11276661  0.39094236  0.62040753
   0.35843391  0.39520543  0.75168611
   0.13159798  0.69745812 -0.00805692
   0.41096758  0.59121961  0.35850407
   0.07343017  0.90998957  0.15731700
   0.34848131  0.83825252  0.24051036
   0.17665049  0.65467446  0.49472761
   0.36950446  0.66760108  0.86282594
   0.05671482  0.89012257  0.61582156
   0.31426572  0.99942055  0.69184417
   0.64946620  0.15275452  1.01470872
   0.84631910  0.15210147  0.35244845
   0.60004429  0.43079190  0.12556949
   0.87382876  0.34198237  0.17466966
   0.63091594  0.16983009  0.49682279
   0.87961183  0.10227333  0.88101402
   0.59241649  0.44124424  0.62883554
   0.75077897  0.37623137  0.80961894
   0.60726667  0.67561138 -0.01202468
   0.93109210  0.59394112  0.38365917
   0.58630157  0.90916900  0.13094744
   0.82540044  0.85040598  0.26974006
   0.66499521  0.61746000  0.46618704
   0.87970138  0.61698264  0.88919575
   0.60486983  0.92056647  0.62422375
   0.80857077  0.86195032  0.75260603
   0.08401058  0.07744898  0.15679498
   0.35404109  0.17704273  0.27702642
   0.09911557  0.30317435  0.01563970
   0.33962951  0.43080947  0.33803821
   0.52720266  0.36929415  0.21453015
   0.27864570  0.35217253  0.14696827
   0.24186506  0.07713253  0.44143261
  -0.00436401  0.15628083  0.38929401
   0.04262385  0.03181684  0.55905589
   0.46602382  0.26365360  0.77208369
   0.11726946  0.27638604  0.53950985
   0.34247297  0.50213986  0.84190797
   0.44166449  0.46242729  0.66390218
   0.20917089  0.35736175  0.71271500
   0.30552092  0.22334969 -0.09765535
   0.04546282  0.12350055  0.88443592
   0.14808071  0.57408588  0.06896813
   0.41010115  0.68646102  0.26740093
   0.08898888  0.84143116  0.05018720
   0.37918863  0.92419910  0.33687580
   0.42551229  0.90005395  0.14944573
   0.18099030  0.83509452  0.22782638
   0.32441504  0.66577548  0.44982419
   0.07619921  0.66018335  0.40910561
   0.18541161  0.51570808  0.56070764
   0.35183337  0.74497977  0.75935273
   0.13516236  0.77033593  0.56807885
   0.37909767  1.01510393  0.79808970
   0.44425640  0.94375713  0.62294378
   0.16139986  0.93679415  0.70241299
   0.28126019  0.72497148 -0.04743109
   0.04010516  0.65811419  0.89658658
   0.61876779  0.06640995  0.10401791
   0.86296197  0.23367276  0.25747842
   0.61661780  0.31842204  0.03815971
   0.96564032  0.43927784  0.35167292
   0.02513515  0.38928159  0.17717148
   0.75209231  0.46564104  0.16275577
   0.73764326  0.21355963  0.42183183
   0.50261979  0.12721077  0.42874392
   0.66603401  0.05127312  0.57245415
   0.80223999  0.21003837  0.80832919
   0.60470240  0.31450820  0.55443180
   0.87255187  0.46477995  0.85109393
   0.96820606  0.42566827  0.66674652
   0.70834337  0.43931640  0.70670268
   0.80507540  0.11693586  0.98308702
   0.55077976  0.10362618  0.92494362
   0.53896751  0.57217500  0.07109108
   0.85423251  0.69237606  0.31046182
   0.60585286  0.83083603  0.02786549
   0.82569838  0.98290049  0.33463428
   0.93424306  0.86308076  0.19017191
   0.66787711  0.85784548  0.22665094
   0.82569195  0.57251586  0.47337432
   0.56876259  0.54534460  0.38449414
   0.62177217  0.58532853  0.56899522
   0.82732593  0.71063155  0.79899237
   0.65894998  0.77935786  0.42630262
   0.88051387  0.95224817  0.84013228
   0.91827116  0.84776881  0.65658000
   0.65911426  0.92963389  0.73118360
   0.78170790  0.65738122  0.98057800
   0.52979678  0.67835456  0.88845392
   0.64379212  0.78990178  0.58400895
   0.71558192  0.83779211  0.46591966
   0.87126634  0.24805072  0.09284421
   1.06655061  0.41100769  0.32813937
   0.26530047  0.12829321  0.63847040
   0.26765924  0.75865457  0.73764208
  -0.00008508  1.13945515  0.13383385
   0.22904615  1.05629079  0.00939404
   0.61665175  0.38521199  0.86195460
   0.91625962  0.45824875  0.60657265
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916984    0.555943   -0.091853
    -0.000000    9.734595   -0.054589
    -0.000000    0.000000   14.058599
   Si   O    H 
    32    64    10
Direct configuration=  1389
   0.17160510  0.17377758 -0.04367454
   0.37270640  0.08166089  0.37097270
   0.13933163  0.41090635  0.09650782
   0.37149615  0.33630679  0.24354695
   0.09620933  0.13445447  0.48099264
   0.43170660  0.15046193  0.85330680
   0.11383057  0.39107370  0.62056954
   0.35932319  0.39576895  0.75144020
   0.13175289  0.69696107 -0.00748166
   0.41060004  0.59224428  0.35884469
   0.07363212  0.91034148  0.15748486
   0.34908812  0.83789327  0.24014441
   0.17672306  0.65326610  0.49514453
   0.36924887  0.66774062  0.86150780
   0.05642486  0.89018049  0.61500636
   0.31533608  0.99929841  0.69195957
   0.64955763  0.15358029  1.01324126
   0.84493302  0.15153606  0.35256145
   0.60055997  0.43125983  0.12610654
   0.87451105  0.34059270  0.17417381
   0.63009084  0.17112251  0.49716391
   0.87969910  0.10227833  0.88205844
   0.59280553  0.44037328  0.62856529
   0.75165966  0.37548518  0.80973067
   0.60746523  0.67549099 -0.01201348
   0.92998614  0.59428830  0.38420944
   0.58551218  0.91067191  0.13109211
   0.82433685  0.85013318  0.27034654
   0.66308441  0.61573068  0.46600280
   0.87828431  0.61741906  0.88837632
   0.60599965  0.92112305  0.62288760
   0.80862967  0.86297645  0.75352991
   0.08559625  0.07723089  0.15571042
   0.35294956  0.17914420  0.27638406
   0.09812182  0.30265892  0.01534841
   0.33825090  0.43083581  0.33916189
   0.52624554  0.36749295  0.21374949
   0.27808119  0.35280452  0.14721299
   0.24004776  0.07661606  0.44124686
  -0.00241074  0.15613007  0.38966890
   0.04326368  0.03194058  0.55902212
   0.46745755  0.26194799  0.77205994
   0.11783836  0.27580770  0.53962133
   0.34275721  0.50356536  0.84199383
   0.44064824  0.46157608  0.66458356
   0.20966285  0.35685252  0.71175459
   0.30620073  0.22508298 -0.09717368
   0.04607292  0.12199234  0.88311672
   0.14819753  0.57333744  0.06813890
   0.40931141  0.68538654  0.26750786
   0.08906819  0.84144812  0.05158893
   0.38118949  0.92438503  0.33782289
   0.42623087  0.89809825  0.14938809
   0.18115998  0.83517444  0.22833977
   0.32278987  0.66555506  0.45153769
   0.07324492  0.66123200  0.40881843
   0.18494499  0.51604984  0.56187461
   0.35251858  0.74395040  0.76044130
   0.13481677  0.76952520  0.56693574
   0.37696512  1.01494856  0.79910766
   0.44307187  0.94447706  0.62360770
   0.16162565  0.93559102  0.70381174
   0.28197682  0.72682638 -0.04758355
   0.03943001  0.65591753  0.89557905
   0.61929489  0.06758658  0.10420138
   0.86174685  0.23183502  0.25913478
   0.61705106  0.31721239  0.03758458
   0.96546430  0.43919088  0.35184712
   0.02707193  0.39015265  0.17635817
   0.75192790  0.46653718  0.16413748
   0.73798413  0.21332995  0.42240250
   0.50370335  0.12610588  0.42959428
   0.66611924  0.05030886  0.57299286
   0.80276357  0.21060996  0.80737056
   0.60444281  0.31406885  0.55510937
   0.87165950  0.46414883  0.85065294
   0.96780780  0.42706171  0.66633901
   0.70909778  0.44214861  0.70614833
   0.80613624  0.11634467  0.98223019
   0.55035831  0.10235918  0.92441490
   0.53874658  0.57389561  0.07086754
   0.85258287  0.69361924  0.30968537
   0.60534045  0.82996288  0.02772920
   0.82397417  0.98416825  0.33462187
   0.93477791  0.86395842  0.19041738
   0.66586894  0.85816604  0.22615823
   0.82484338  0.57299287  0.47246207
   0.56829054  0.54523976  0.38528176
   0.62343359  0.58398952  0.56957928
   0.82526411  0.71144605  0.79800817
   0.65922169  0.77936658  0.42607289
   0.88175465  0.95132787  0.84110766
   0.91685771  0.84592693  0.65724239
   0.65904187  0.92930726  0.73162413
   0.78203871  0.65519670  0.97992702
   0.52977904  0.67730009  0.88958443
   0.65089380  0.78702333  0.58691782
   0.71965382  0.83063659  0.46167619
   0.87573972  0.24081335  0.08807795
   1.06948744  0.41026959  0.32435070
   0.27267575  0.13283644  0.63959793
   0.26157843  0.76279547  0.72498207
   0.00090671  1.13106120  0.13059433
   0.22906319  1.05658730  0.00819821
   0.61327365  0.38009258  0.86283222
   0.91750830  0.45023607  0.61525866
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917533    0.555583   -0.091876
    -0.000000    9.737132   -0.054490
    -0.000000    0.000000   14.056819
   Si   O    H 
    32    64    10
Direct configuration=  1390
   0.17362002  0.17165943 -0.04334350
   0.37237155  0.08008618  0.37155311
   0.13904151  0.41047654  0.09691182
   0.37186939  0.33653652  0.24357792
   0.09610801  0.13370754  0.48100146
   0.43335423  0.15108594  0.85304330
   0.11485123  0.39174619  0.62069250
   0.36084758  0.39669953  0.75121421
   0.13248198  0.69612212 -0.00689143
   0.40993008  0.59283354  0.35930741
   0.07413247  0.91082182  0.15730365
   0.35000926  0.83716513  0.23977001
   0.17675662  0.65192542  0.49524841
   0.36962562  0.66824215  0.86033109
   0.05667556  0.89085776  0.61419263
   0.31642443  0.99941159  0.69200452
   0.64915822  0.15441810  1.01171183
   0.84411865  0.15082654  0.35259451
   0.60115275  0.43190816  0.12633703
   0.87529853  0.33932396  0.17381288
   0.62851069  0.17272028  0.49800700
   0.87977751  0.10297946  0.88275350
   0.59301143  0.44021672  0.62809427
   0.75250822  0.37419868  0.81002945
   0.60751748  0.67546408 -0.01166182
   0.92885369  0.59416644  0.38522903
   0.58441461  0.91200633  0.13092872
   0.82306017  0.85032929  0.27084601
   0.66151708  0.61402546  0.46566960
   0.87662348  0.61897718  0.88829190
   0.60683374  0.92225788  0.62206627
   0.80875806  0.86403036  0.75486835
   0.08633955  0.07728065  0.15512926
   0.35246752  0.18052008  0.27602406
   0.09758514  0.30310330  0.01490183
   0.33658666  0.43176662  0.34102995
   0.52566704  0.36539058  0.21310465
   0.27701416  0.35282353  0.14709735
   0.23846397  0.07594805  0.44084397
  -0.00013467  0.15569123  0.39024012
   0.04339813  0.03201748  0.55902366
   0.46732335  0.26049452  0.77267290
   0.11841122  0.27490938  0.53918175
   0.34243417  0.50527246  0.84182381
   0.43911481  0.46109884  0.66471467
   0.20983052  0.35645465  0.71094096
   0.30664786  0.22650767 -0.09655671
   0.04704094  0.12101400  0.88192909
   0.14846082  0.57187011  0.06727668
   0.40835991  0.68508350  0.26710569
   0.08939169  0.84098222  0.05238542
   0.38340759  0.92520802  0.33805030
   0.42656996  0.89636691  0.14952273
   0.18235434  0.83502329  0.22935498
   0.32260820  0.66549844  0.45301616
   0.07049575  0.66133862  0.40826308
   0.18409020  0.51629313  0.56281989
   0.35245568  0.74256056  0.76185639
   0.13421718  0.76821368  0.56516027
   0.37590161  1.01462907  0.79986357
   0.44142938  0.94454936  0.62454088
   0.16241727  0.93449824  0.70494289
   0.28283762  0.72816797 -0.04814497
   0.03846238  0.65378103  0.89544091
   0.61868485  0.06895289  0.10488825
   0.86093652  0.23121617  0.26024144
   0.61662126  0.31560931  0.03758457
   0.96627033  0.43840037  0.35209669
   0.02856584  0.39136405  0.17543634
   0.75137785  0.46738393  0.16498885
   0.73756986  0.21322057  0.42295271
   0.50495097  0.12486430  0.43089199
   0.66630832  0.04945185  0.57290686
   0.80313631  0.20992219  0.80608307
   0.60376110  0.31362154  0.55559612
   0.87098327  0.46392860  0.85039656
   0.96736556  0.42809079  0.66623306
   0.70996107  0.44425604  0.70596496
   0.80748990  0.11590389  0.98176313
   0.55005087  0.10124208  0.92444668
   0.53837687  0.57517086  0.07065846
   0.85097526  0.69522969  0.30831215
   0.60476065  0.82962514  0.02735188
   0.82203585  0.98558054  0.33444579
   0.93458662  0.86433040  0.19008895
   0.66451307  0.85772610  0.22572745
   0.82444039  0.57285149  0.47182499
   0.56745105  0.54505862  0.38571414
   0.62408794  0.58165836  0.57062982
   0.82325420  0.71267705  0.79681636
   0.65935142  0.77859583  0.42546407
   0.88258099  0.94992639  0.84145013
   0.91498057  0.84431670  0.65790566
   0.65846011  0.92908526  0.73289330
   0.78176908  0.65255023  0.97953367
   0.53006878  0.67630812  0.89070774
   0.65628896  0.78803598  0.58829542
   0.73013942  0.83075481  0.46177906
   0.87988488  0.23833765  0.08518906
   1.05689013  0.41185208  0.32524440
   0.28072452  0.13540444  0.64381639
   0.25685982  0.76090215  0.71847528
   0.00652758  1.12044566  0.12908928
   0.22929464  1.05689548  0.01008936
   0.61640338  0.37757169  0.86132958
   0.90355295  0.45034672  0.61241644
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918233    0.555205   -0.092138
    -0.000000    9.739802   -0.054158
    -0.000000    0.000000   14.055400
   Si   O    H 
    32    64    10
Direct configuration=  1391
   0.17462427  0.17016580 -0.04344197
   0.37220036  0.07854283  0.37209975
   0.13872746  0.41018877  0.09742269
   0.37202027  0.33654250  0.24352801
   0.09674416  0.13326310  0.48073411
   0.43480330  0.15204607  0.85252123
   0.11600346  0.39221028  0.62083777
   0.36173051  0.39722348  0.75096023
   0.13301242  0.69515970 -0.00684218
   0.40916694  0.59293206  0.35987626
   0.07483260  0.91168415  0.15648648
   0.35082413  0.83706123  0.23948409
   0.17680416  0.65104437  0.49546182
   0.37016002  0.66846411  0.85966694
   0.05680653  0.89195316  0.61336264
   0.31740017  0.99960870  0.69192500
   0.64832606  0.15513185  1.01048781
   0.84414385  0.14967549  0.35261406
   0.60195295  0.43383812  0.12588128
   0.87615392  0.33762640  0.17375564
   0.62686626  0.17512156  0.49901217
   0.88017905  0.10363226  0.88309957
   0.59293000  0.44059624  0.62744149
   0.75312042  0.37316390  0.80981270
   0.60796843  0.67562132 -0.01118180
   0.92766823  0.59360398  0.38602286
   0.58353266  0.91354248  0.13086029
   0.82124837  0.85017673  0.27149617
   0.65986921  0.61311704  0.46491943
   0.87514443  0.62055851  0.88825907
   0.60723160  0.92371984  0.62141549
   0.80953669  0.86499453  0.75664505
   0.08751241  0.07706415  0.15497662
   0.35213330  0.18172282  0.27601046
   0.09773453  0.30341695  0.01429740
   0.33509847  0.43305269  0.34220354
   0.52501934  0.36432535  0.21286798
   0.27677114  0.35339476  0.14685319
   0.23734734  0.07546064  0.43985075
   0.00165742  0.15489726  0.39125261
   0.04372778  0.03161824  0.55871922
   0.46745291  0.25976422  0.77310741
   0.11904633  0.27426694  0.53865958
   0.34239309  0.50681369  0.84167480
   0.43869720  0.46132399  0.66492184
   0.21030807  0.35588253  0.71103788
   0.30667791  0.22763317 -0.09629093
   0.04794038  0.12050238  0.88155521
   0.14982163  0.56988452  0.06651032
   0.40757416  0.68448305  0.26685883
   0.08941397  0.84129573  0.05253955
   0.38528529  0.92539322  0.33828217
   0.42597218  0.89528360  0.14970897
   0.18368507  0.83503069  0.23025508
   0.32343538  0.66564062  0.45432112
   0.06781018  0.66221958  0.40733759
   0.18318812  0.51639771  0.56358893
   0.35177117  0.74162688  0.76219467
   0.13359798  0.76880305  0.56407728
   0.37534323  1.01537748  0.80069867
   0.44032670  0.94413995  0.62556468
   0.16357961  0.93287536  0.70633903
   0.28345504  0.72956249 -0.04912219
   0.03842892  0.65192630  0.89647909
   0.61821273  0.07055066  0.10541955
   0.85926069  0.23147415  0.26062967
   0.61689419  0.31455684  0.03734400
   0.96702540  0.43748901  0.35209133
   0.02993025  0.39260025  0.17477693
   0.75111494  0.46791978  0.16598098
   0.73720877  0.21343609  0.42407790
   0.50559773  0.12389516  0.43209940
   0.66637996  0.04904395  0.57240701
   0.80282597  0.20996084  0.80427367
   0.60298756  0.31318616  0.55615323
   0.87082847  0.46427993  0.84981303
   0.96652912  0.42920990  0.66626981
   0.71123795  0.44610186  0.70572503
   0.80789466  0.11597292  0.98167689
   0.54971081  0.10022506  0.92471356
   0.53810634  0.57666005  0.07040122
   0.84978474  0.69684057  0.30697145
   0.60372379  0.82963768  0.02700695
   0.81966160  0.98765570  0.33422918
   0.93350678  0.86473656  0.18953898
   0.66282691  0.85755709  0.22564297
   0.82348149  0.57261806  0.47134912
   0.56675954  0.54470013  0.38635719
   0.62447608  0.57932442  0.57189867
   0.82147926  0.71441478  0.79544529
   0.65980946  0.77803429  0.42517214
   0.88356346  0.94782776  0.84158633
   0.91236380  0.84353138  0.65822858
   0.65872578  0.92901571  0.73411882
   0.78085471  0.65014026  0.97909328
   0.53050934  0.67486098  0.89164349
   0.66243726  0.78903532  0.58927406
   0.72979947  0.82147615  0.46006766
   0.88229056  0.24207834  0.08914455
   1.04045022  0.41524473  0.32702862
   0.28591791  0.13526512  0.65013740
   0.26654680  0.75444244  0.71897222
   0.00865702  1.11669169  0.12774454
   0.23035021  1.05475755  0.01216515
   0.62772358  0.37497241  0.86042636
   0.89505304  0.44828574  0.61066714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918775    0.555228   -0.092554
    -0.000000    9.742463   -0.054175
    -0.000000    0.000000   14.054219
   Si   O    H 
    32    64    10
Direct configuration=  1392
   0.17508880  0.16824667 -0.04393792
   0.37206306  0.07754912  0.37316516
   0.13896665  0.40953993  0.09771713
   0.37227611  0.33702727  0.24337170
   0.09736973  0.13295180  0.48047345
   0.43611931  0.15250966  0.85208524
   0.11731684  0.39288136  0.62118133
   0.36235457  0.39795100  0.75089215
   0.13310132  0.69471881 -0.00683327
   0.40873406  0.59265487  0.36069179
   0.07546334  0.91250061  0.15545051
   0.35100238  0.83712031  0.23923562
   0.17684066  0.64982209  0.49590893
   0.37091810  0.66881482  0.85921194
   0.05703670  0.89242791  0.61292244
   0.31748895  1.00013597  0.69207424
   0.64725962  0.15585003  1.00958992
   0.84492176  0.14901551  0.35283706
   0.60209773  0.43557333  0.12509274
   0.87658002  0.33676678  0.17363878
   0.62549465  0.17745030  0.50020984
   0.88087959  0.10437762  0.88291449
   0.59254802  0.44154913  0.62698791
   0.75441088  0.37198792  0.80974390
   0.60850230  0.67605331 -0.01045984
   0.92654788  0.59264810  0.38694067
   0.58269476  0.91445439  0.13086671
   0.81948362  0.84989087  0.27159485
   0.65873035  0.61257251  0.46395680
   0.87427269  0.62159837  0.88780320
   0.60674981  0.92468047  0.62110770
   0.81082631  0.86560806  0.75787649
   0.08866393  0.07690207  0.15516321
   0.35171215  0.18197839  0.27610842
   0.09908179  0.30325884  0.01387257
   0.33519561  0.43490841  0.34291176
   0.52413178  0.36389193  0.21297865
   0.27671120  0.35437062  0.14614339
   0.23627267  0.07508680  0.43860615
   0.00312191  0.15341151  0.39193088
   0.04371586  0.03089905  0.55809282
   0.46710182  0.25979356  0.77272992
   0.11967601  0.27381209  0.53796835
   0.34162410  0.50799568  0.84155637
   0.43871798  0.46176307  0.66461735
   0.21159646  0.35531463  0.71147698
   0.30638878  0.22952372 -0.09635373
   0.04944574  0.12034411  0.88208457
   0.15081406  0.56771837  0.06567389
   0.40692347  0.68393246  0.26644684
   0.09015482  0.84164821  0.05223583
   0.38693568  0.92450855  0.33812962
   0.42472070  0.89378395  0.14994997
   0.18622952  0.83531869  0.23042323
   0.32483140  0.66586930  0.45461848
   0.06601392  0.66246817  0.40717504
   0.18209013  0.51619862  0.56387579
   0.35064751  0.74188476  0.76169292
   0.13292852  0.76972868  0.56394711
   0.37472217  1.01704801  0.80153461
   0.43920416  0.94280902  0.62633248
   0.16541798  0.93161274  0.70786218
   0.28420153  0.73074173 -0.05024351
   0.03898118  0.64954977  0.89821083
   0.61790168  0.07120641  0.10648868
   0.85795392  0.23196614  0.26042346
   0.61747319  0.31366225  0.03694848
   0.96624200  0.43727127  0.35225978
   0.03027070  0.39434949  0.17446097
   0.75213487  0.46840377  0.16711312
   0.73719361  0.21404856  0.42499223
   0.50586567  0.12280369  0.43336187
   0.66720573  0.04944013  0.57159976
   0.80298475  0.21032322  0.80206563
   0.60198381  0.31321870  0.55714664
   0.87110481  0.46439562  0.84947766
   0.96570862  0.42997245  0.66591390
   0.71251556  0.44761309  0.70555266
   0.80765146  0.11681302  0.98210605
   0.54967123  0.10028465  0.92483380
   0.53738811  0.57807935  0.07059935
   0.84842143  0.69720699  0.30583291
   0.60219682  0.83089105  0.02710569
   0.81746154  0.98936782  0.33431880
   0.93192841  0.86459171  0.18932722
   0.66117513  0.85791337  0.22554785
   0.82234201  0.57166329  0.47105823
   0.56537139  0.54479933  0.38637923
   0.62462633  0.57738377  0.57252759
   0.81870480  0.71441606  0.79458487
   0.66065036  0.77774027  0.42502223
   0.88424136  0.94637713  0.84157059
   0.90981245  0.84244665  0.65858109
   0.66016916  0.92848376  0.73548244
   0.77979835  0.64770558  0.97905244
   0.53096486  0.67395165  0.89161055
   0.66409135  0.79220260  0.59317690
   0.73150298  0.81406176  0.46039841
   0.88026102  0.24935212  0.09507355
   1.05910804  0.40990947  0.31513501
   0.29247289  0.13438237  0.65660771
   0.28433380  0.74724892  0.72362585
   0.00150746  1.11894715  0.12419029
   0.23018458  1.05468759  0.01715720
   0.63359943  0.37284409  0.86011982
   0.89523865  0.44578092  0.61377436
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919524    0.555981   -0.093397
    -0.000000    9.745425   -0.054133
    -0.000000    0.000000   14.052652
   Si   O    H 
    32    64    10
Direct configuration=  1393
   0.17499968  0.16681882 -0.04433986
   0.37170047  0.07740614  0.37452188
   0.13894676  0.40922804  0.09744992
   0.37230174  0.33761545  0.24360032
   0.09734351  0.13316330  0.48030271
   0.43693447  0.15243628  0.85150241
   0.11828178  0.39385529  0.62107442
   0.36301099  0.39808500  0.75112256
   0.13322482  0.69502393 -0.00683374
   0.40800661  0.59212574  0.36164552
   0.07562498  0.91298190  0.15494965
   0.35085387  0.83770055  0.23974383
   0.17721127  0.64906545  0.49654376
   0.37152694  0.66915286  0.85916570
   0.05747655  0.89305331  0.61288413
   0.31757711  1.00029307  0.69221308
   0.64649188  0.15671111  1.00855408
   0.84593394  0.14804466  0.35319437
   0.60191995  0.43706141  0.12339519
   0.87699234  0.33607573  0.17382212
   0.62439803  0.17971302  0.50073481
   0.88174887  0.10504934  0.88219597
   0.59246571  0.44276968  0.62666285
   0.75538029  0.37090090  0.80956437
   0.60878402  0.67612555 -0.00921220
   0.92515324  0.59186976  0.38775781
   0.58178976  0.91484964  0.13106417
   0.81786665  0.84938552  0.27113790
   0.65713936  0.61219301  0.46335870
   0.87389234  0.62235233  0.88709446
   0.60599056  0.92602347  0.62173199
   0.81260840  0.86578140  0.75910342
   0.08930578  0.07779009  0.15519448
   0.35130010  0.18205537  0.27704077
   0.10028890  0.30294689  0.01294983
   0.33543220  0.43721412  0.34274617
   0.52325067  0.36403356  0.21314420
   0.27718089  0.35461436  0.14561457
   0.23636365  0.07502837  0.43719138
   0.00373174  0.15250099  0.39227238
   0.04179136  0.02997217  0.55685682
   0.46763105  0.26012459  0.77227934
   0.12001621  0.27377228  0.53728359
   0.34136279  0.50845729  0.84121652
   0.43894305  0.46231839  0.66440514
   0.21336331  0.35505572  0.71193198
   0.30508074  0.23107715 -0.09601199
   0.05188432  0.12050936  0.88305976
   0.15209343  0.56564964  0.06530553
   0.40590647  0.68371952  0.26626703
   0.09004621  0.84204523  0.05167333
   0.38860086  0.92395831  0.33799604
   0.42402515  0.89236443  0.15013196
   0.18849255  0.83652775  0.23098738
   0.32693945  0.66609401  0.45428284
   0.06490479  0.66268717  0.40698121
   0.18163032  0.51552999  0.56413210
   0.35160083  0.74148377  0.76167617
   0.13217433  0.77056155  0.56403920
   0.37347517  1.01902801  0.80250476
   0.43793967  0.94083427  0.62676647
   0.16793130  0.93090960  0.70903344
   0.28568971  0.73025785 -0.05132460
   0.03974568  0.64708919  0.90063604
   0.61822031  0.07169547  0.10786427
   0.85655015  0.23167070  0.25977585
   0.61853841  0.31351452  0.03729776
   0.96669902  0.43654721  0.35160814
   0.02996189  0.39724039  0.17426176
   0.75266070  0.46924799  0.16777502
   0.73738455  0.21386289  0.42548710
   0.50630580  0.12177043  0.43426753
   0.66811041  0.05049340  0.57063340
   0.80347415  0.21063068  0.80060267
   0.60082888  0.31425658  0.55816000
   0.87176975  0.46456383  0.85002125
   0.96467679  0.43074130  0.66558126
   0.71385401  0.44816172  0.70502390
   0.80697104  0.11824779  0.98273048
   0.55007310  0.09996577  0.92481720
   0.53707986  0.57835519  0.07109534
   0.84654672  0.69598826  0.30560378
   0.60073265  0.83219159  0.02703285
   0.81612211  0.99057023  0.33460023
   0.93070209  0.86473773  0.18967510
   0.65954111  0.85808750  0.22611884
   0.82133006  0.57089690  0.47040805
   0.56395493  0.54439262  0.38649466
   0.62415981  0.57643962  0.57246952
   0.81564818  0.71465356  0.79417880
   0.66096978  0.77727171  0.42556877
   0.88457729  0.94552057  0.84191116
   0.90788606  0.84263510  0.65901477
   0.66080411  0.92784227  0.73627598
   0.77882626  0.64621420  0.97954955
   0.53113097  0.67322857  0.89106375
   0.66665644  0.79082403  0.59465454
   0.73777325  0.81393725  0.46471882
   0.87557276  0.25417928  0.09593234
   1.06049840  0.41047108  0.30978793
   0.29964266  0.13795180  0.66136346
   0.27399168  0.73960163  0.71403842
   0.00402123  1.11836150  0.12587103
   0.22927725  1.05431525  0.02145563
   0.63853307  0.37263519  0.86418330
   0.90104162  0.44744707  0.62063576
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920138    0.557978   -0.094905
    -0.000000    9.748795   -0.053872
    -0.000000    0.000000   14.051528
   Si   O    H 
    32    64    10
Direct configuration=  1394
   0.17529410  0.16515568 -0.04431678
   0.37165100  0.07797732  0.37596682
   0.13907495  0.40900888  0.09703661
   0.37217004  0.33855462  0.24410438
   0.09755127  0.13295933  0.47999221
   0.43731206  0.15238720  0.85099661
   0.11906355  0.39403014  0.62121091
   0.36369546  0.39803377  0.75130719
   0.13399305  0.69532465 -0.00725306
   0.40732099  0.59171316  0.36258025
   0.07467437  0.91336908  0.15479498
   0.35074223  0.83861329  0.24056843
   0.17741084  0.64841643  0.49714121
   0.37265021  0.66966037  0.85900812
   0.05795101  0.89343653  0.61352329
   0.31767745  1.00033471  0.69247499
   0.64606207  0.15772582  1.00749717
   0.84686196  0.14712523  0.35369125
   0.60178481  0.43882524  0.12138842
   0.87766067  0.33605277  0.17443064
   0.62374617  0.18127585  0.50148377
   0.88340981  0.10571147  0.88153639
   0.59252351  0.44403652  0.62641919
   0.75652318  0.36975583  0.80864412
   0.60863355  0.67621543 -0.00815408
   0.92327685  0.59096586  0.38792455
   0.58098593  0.91469174  0.13124512
   0.81585648  0.84896393  0.27064391
   0.65566328  0.61176232  0.46242109
   0.87393542  0.62317626  0.88656069
   0.60544143  0.92691540  0.62255368
   0.81446849  0.86667108  0.76014046
   0.08901199  0.07855732  0.15497389
   0.35085794  0.18203764  0.27804686
   0.10237616  0.30230332  0.01255868
   0.33538202  0.43978858  0.34190900
   0.52246018  0.36514097  0.21368077
   0.27828899  0.35472893  0.14509598
   0.23769737  0.07566449  0.43590752
   0.00474190  0.15167414  0.39238135
   0.03995972  0.02994191  0.55594168
   0.46857075  0.26041732  0.77143267
   0.12004159  0.27451129  0.53687692
   0.34144276  0.50950772  0.84097748
   0.43892213  0.46330507  0.66410274
   0.21524147  0.35551060  0.71165079
   0.30402867  0.23222927 -0.09496002
   0.05228914  0.12097414  0.88448660
   0.15373166  0.56421654  0.06514100
   0.40504484  0.68411379  0.26588334
   0.08969126  0.84225646  0.05092035
   0.39036927  0.92295621  0.33804537
   0.42366393  0.89121273  0.15060794
   0.19053156  0.83742212  0.23121844
   0.32896713  0.66585919  0.45372297
   0.06406767  0.66227887  0.40693528
   0.18100035  0.51541084  0.56467163
   0.35210897  0.74206498  0.76103104
   0.13195750  0.77168553  0.56367291
   0.37272803  1.02140463  0.80361360
   0.43653239  0.93837180  0.62673179
   0.17045593  0.92997782  0.70983384
   0.28602254  0.72952963 -0.05270462
   0.03996681  0.64583510  0.90369640
   0.61815739  0.07208037  0.10913134
   0.85567657  0.23116819  0.25881556
   0.61984804  0.31367216  0.03827414
   0.96734781  0.43622580  0.35091946
   0.02838000  0.40026242  0.17462422
   0.75305474  0.46988193  0.16840466
   0.73792376  0.21358706  0.42599011
   0.50611931  0.12068881  0.43486798
   0.66919574  0.05112843  0.56967256
   0.80416234  0.21052055  0.79982287
   0.59916172  0.31426161  0.55930246
   0.87188753  0.46535782  0.85089122
   0.96522273  0.43112169  0.66544521
   0.71438986  0.44838803  0.70440854
   0.80690979  0.11893234  0.98296768
   0.55073052  0.09968754  0.92460513
   0.53643596  0.57897201  0.07093105
   0.84545500  0.69481532  0.30563721
   0.59957069  0.83350300  0.02759011
   0.81429756  0.99123008  0.33516194
   0.92963122  0.86494718  0.19002215
   0.65839347  0.85892663  0.22679096
   0.81970052  0.57012690  0.47032448
   0.56159230  0.54414269  0.38690105
   0.62352389  0.57583665  0.57223392
   0.81290542  0.71392435  0.79417995
   0.66122116  0.77637034  0.42628395
   0.88492487  0.94589273  0.84269070
   0.90658539  0.84338052  0.65980883
   0.66130458  0.92685004  0.73656941
   0.77704701  0.64510464  0.98066533
   0.53165537  0.67216389  0.89044611
   0.66710911  0.79023298  0.59534678
   0.73755729  0.81131258  0.46582321
   0.87059634  0.25483785  0.09010836
   1.04774693  0.41528662  0.31069228
   0.30540200  0.14497338  0.66306914
   0.26873881  0.73297128  0.71139328
   0.00929225  1.12029513  0.12703181
   0.22578337  1.05595119  0.02445860
   0.63713695  0.37573111  0.87100902
   0.89399443  0.45489298  0.61954677
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920969    0.560662   -0.096925
    -0.000000    9.752400   -0.053851
    -0.000000    0.000000   14.050663
   Si   O    H 
    32    64    10
Direct configuration=  1395
   0.17544747  0.16333703 -0.04446833
   0.37153048  0.07880697  0.37695278
   0.13956965  0.40914462  0.09683462
   0.37175593  0.33923971  0.24422698
   0.09745721  0.13261922  0.47968112
   0.43706972  0.15217934  0.85023020
   0.11930903  0.39380776  0.62120310
   0.36449437  0.39760149  0.75164343
   0.13490462  0.69588770 -0.00800612
   0.40676304  0.59170488  0.36321887
   0.07418232  0.91344478  0.15517044
   0.35043530  0.83939145  0.24147284
   0.17768003  0.64758286  0.49755526
   0.37378851  0.66974200  0.85927962
   0.05852551  0.89377665  0.61501073
   0.31726634  1.00164852  0.69333053
   0.64541681  0.15816313  1.00688317
   0.84832570  0.14611839  0.35388244
   0.60164091  0.43997638  0.11954351
   0.87846993  0.33610179  0.17486897
   0.62288585  0.18283774  0.50216086
   0.88472886  0.10597671  0.88076818
   0.59236985  0.44495335  0.62650077
   0.75746034  0.36836301  0.80799527
   0.60852944  0.67652129 -0.00707583
   0.92204179  0.59081938  0.38750943
   0.58037920  0.91466202  0.13122538
   0.81368419  0.84871198  0.26993110
   0.65449366  0.61160685  0.46221795
   0.87355959  0.62386895  0.88599070
   0.60485827  0.92749148  0.62397300
   0.81592837  0.86709536  0.76139668
   0.08915857  0.07901346  0.15498383
   0.34979119  0.18110356  0.27861585
   0.10323428  0.30089813  0.01220614
   0.33536603  0.44205327  0.34042787
   0.52270257  0.36731251  0.21370368
   0.27955998  0.35530069  0.14449987
   0.23934651  0.07685969  0.43506376
   0.00473544  0.15111321  0.39174970
   0.03655044  0.03001470  0.55556651
   0.46974991  0.26171623  0.77036177
   0.12018319  0.27512687  0.53646370
   0.34230235  0.50997002  0.84078673
   0.43830295  0.46442144  0.66354493
   0.21739757  0.35640051  0.71159737
   0.30342205  0.23357716 -0.09393787
   0.05248284  0.12170498  0.88616254
   0.15491482  0.56391070  0.06477262
   0.40399710  0.68396611  0.26569111
   0.08946496  0.84255169  0.04962073
   0.39234523  0.92213373  0.33857344
   0.42348638  0.88971306  0.15066211
   0.19227508  0.83857722  0.23115169
   0.33011030  0.66492306  0.45323733
   0.06396825  0.66244626  0.40754006
   0.18084670  0.51570132  0.56521337
   0.35245848  0.74186784  0.75925764
   0.13155700  0.77274303  0.56280561
   0.37263694  1.02401327  0.80484804
   0.43592035  0.93629413  0.62651328
   0.17321269  0.93039353  0.70938221
   0.28631146  0.72885597 -0.05355979
   0.03984401  0.64448154  0.90632629
   0.61778778  0.07188423  0.11004511
   0.85449536  0.23116515  0.25796573
   0.62042597  0.31278298  0.03856383
   0.96700902  0.43551533  0.34983261
   0.02671054  0.40330604  0.17452497
   0.75368104  0.46995346  0.16913829
   0.73840280  0.21343892  0.42662294
   0.50553388  0.12061761  0.43589030
   0.67042640  0.05158426  0.56840438
   0.80497959  0.20984975  0.79976128
   0.59790052  0.31439051  0.55998339
   0.87164402  0.46612135  0.85168322
   0.96562607  0.43145783  0.66511947
   0.71462457  0.44809951  0.70395093
   0.80673049  0.11985395  0.98237951
   0.55148612  0.09955569  0.92442366
   0.53516361  0.57948583  0.06992097
   0.84412808  0.69308048  0.30571564
   0.59822792  0.83465476  0.02840913
   0.81302284  0.99188386  0.33544402
   0.92839386  0.86540508  0.18989773
   0.65702892  0.85904091  0.22769680
   0.81804998  0.56950168  0.46967636
   0.55900363  0.54361081  0.38695039
   0.62365529  0.57646093  0.57163959
   0.81064639  0.71244247  0.79451012
   0.66061329  0.77550398  0.42689779
   0.88559313  0.94605146  0.84338453
   0.90497848  0.84499870  0.66032005
   0.66147214  0.92533507  0.73684408
   0.77502442  0.64398467  0.98173358
   0.53234896  0.67107506  0.88963768
   0.66416215  0.79327715  0.59603039
   0.73411318  0.80966960  0.46388644
   0.86529740  0.25334799  0.08563076
   1.03568325  0.42276580  0.31266491
   0.30762319  0.14759961  0.66232489
   0.27377296  0.72989821  0.71576949
   0.00591595  1.12830708  0.12619971
   0.21834772  1.05690482  0.02604496
   0.63566903  0.37826864  0.87562272
   0.88988510  0.46410501  0.61740468
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921484    0.563307   -0.099285
    -0.000000    9.755577   -0.053940
    -0.000000    0.000000   14.049742
   Si   O    H 
    32    64    10
Direct configuration=  1396
   0.17602213  0.16236803 -0.04421611
   0.37184655  0.08082284  0.37733190
   0.14043786  0.40958849  0.09683730
   0.37159598  0.33972651  0.24487107
   0.09754558  0.13301024  0.47936210
   0.43704328  0.15144544  0.85016253
   0.11902602  0.39329256  0.62084025
   0.36509745  0.39775958  0.75186305
   0.13560895  0.69627131 -0.00844497
   0.40596007  0.59182728  0.36382832
   0.07333464  0.91323928  0.15562629
   0.35049888  0.83992453  0.24273139
   0.17785087  0.64721101  0.49756995
   0.37552884  0.66975329  0.85942139
   0.05838360  0.89410552  0.61696763
   0.31754252  1.00336811  0.69424838
   0.64542898  0.15844075  1.00627503
   0.84957060  0.14486773  0.35386172
   0.60148894  0.44067951  0.11804978
   0.87861975  0.33653260  0.17507963
   0.62199585  0.18373545  0.50237007
   0.88642869  0.10654862  0.87982727
   0.59222412  0.44572796  0.62677839
   0.75851835  0.36780219  0.80751153
   0.60830016  0.67700452 -0.00576501
   0.92181476  0.59072267  0.38694049
   0.58002825  0.91547547  0.13120293
   0.81130974  0.84892821  0.26928071
   0.65317671  0.61208658  0.46196435
   0.87377764  0.62482120  0.88504229
   0.60438519  0.92803428  0.62569973
   0.81742804  0.86724218  0.76205676
   0.08887866  0.07985245  0.15476249
   0.34981527  0.18040897  0.27911513
   0.10464722  0.29988858  0.01189234
   0.33500237  0.44423919  0.33899673
   0.52344990  0.36970021  0.21333860
   0.28054103  0.35487129  0.14377047
   0.24058388  0.07807888  0.43489540
   0.00452824  0.14976439  0.39042295
   0.03330426  0.02959381  0.55559821
   0.47075174  0.26263084  0.76940214
   0.11996241  0.27607324  0.53556505
   0.34338629  0.51002257  0.84082389
   0.43777948  0.46439573  0.66257969
   0.21991306  0.35721471  0.71161494
   0.30325934  0.23406698 -0.09286754
   0.05277194  0.12226160  0.88723863
   0.15588386  0.56402951  0.06421593
   0.40306757  0.68362609  0.26575473
   0.08874952  0.84203520  0.04823811
   0.39457751  0.92114941  0.33892071
   0.42320002  0.88836957  0.15021253
   0.19345244  0.83976238  0.23121662
   0.33103383  0.66397092  0.45336554
   0.06416617  0.66148462  0.40779609
   0.18099770  0.51589247  0.56558388
   0.35301057  0.74193096  0.75679270
   0.13194313  0.77394533  0.56188908
   0.37361725  1.02565195  0.80531453
   0.43613105  0.93511192  0.62590403
   0.17599531  0.93058289  0.70840941
   0.28656666  0.72844927 -0.05390730
   0.03894302  0.64314284  0.90902306
   0.61772723  0.07225393  0.11069383
   0.85395271  0.23046667  0.25723991
   0.62036874  0.31207707  0.03926035
   0.96597385  0.43528656  0.34963583
   0.02466368  0.40607653  0.17452982
   0.75413430  0.46979931  0.17016399
   0.73887871  0.21368664  0.42721438
   0.50297913  0.12081413  0.43695332
   0.67185727  0.05153045  0.56703258
   0.80544408  0.20887438  0.80050089
   0.59695626  0.31442987  0.56085740
   0.87160886  0.46652415  0.85267107
   0.96625503  0.43168956  0.66466041
   0.71434766  0.44768276  0.70347360
   0.80624664  0.12026507  0.98196646
   0.55264508  0.09937390  0.92375130
   0.53417587  0.57956179  0.06862708
   0.84327913  0.69138299  0.30565555
   0.59702890  0.83704839  0.02923691
   0.81266567  0.99264357  0.33610803
   0.92672161  0.86553687  0.18930932
   0.65552289  0.86002258  0.22793735
   0.81586869  0.56827423  0.46880115
   0.55730314  0.54352964  0.38676508
   0.62432504  0.57777753  0.57075019
   0.80857391  0.71054736  0.79548157
   0.65992846  0.77452946  0.42734538
   0.88578338  0.94715349  0.84425490
   0.90450570  0.84655142  0.66061385
   0.66146027  0.92474236  0.73730344
   0.77316674  0.64268881  0.98268842
   0.53361867  0.67097870  0.88889971
   0.65805705  0.79692082  0.59547906
   0.72974122  0.81010793  0.46539249
   0.86266677  0.24992868  0.08425019
   1.04730636  0.42388965  0.30158502
   0.30878783  0.14696833  0.66100133
   0.28255525  0.72767424  0.72199602
   0.00832020  1.13460865  0.12734603
   0.21347054  1.05677109  0.02580294
   0.63885812  0.38194308  0.87903898
   0.89668349  0.46804785  0.62011051
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922355    0.565958   -0.101248
    -0.000000    9.758957   -0.053800
    -0.000000    0.000000   14.048498
   Si   O    H 
    32    64    10
Direct configuration=  1397
   0.17644776  0.16211445 -0.04426576
   0.37260108  0.08238377  0.37707109
   0.14089189  0.40997990  0.09681186
   0.37113977  0.34013055  0.24529357
   0.09808839  0.13329329  0.47892353
   0.43687306  0.15125316  0.85037731
   0.11832867  0.39208104  0.62109782
   0.36633412  0.39717549  0.75286628
   0.13678248  0.69627866 -0.00845348
   0.40445695  0.59228040  0.36443547
   0.07278817  0.91292606  0.15578417
   0.35034953  0.84086069  0.24426691
   0.17771908  0.64666393  0.49747318
   0.37718656  0.66949634  0.85908416
   0.05825464  0.89460663  0.61920823
   0.31762637  1.00463884  0.69520237
   0.64536141  0.15804774  1.00580288
   0.85087751  0.14427836  0.35412367
   0.60146800  0.44078559  0.11677756
   0.87850239  0.33707599  0.17476769
   0.62144055  0.18365221  0.50235429
   0.88801533  0.10690809  0.87904190
   0.59216266  0.44653145  0.62690139
   0.76013889  0.36838580  0.80666241
   0.60835898  0.67716737 -0.00465170
   0.92154057  0.59109417  0.38618199
   0.57927577  0.91573083  0.13171386
   0.80967885  0.84937253  0.26873235
   0.65187980  0.61267607  0.46137291
   0.87376700  0.62567594  0.88409891
   0.60335052  0.92837292  0.62736869
   0.81867575  0.86693783  0.76273667
   0.08772471  0.08040238  0.15480518
   0.34983913  0.17982819  0.27982619
   0.10615427  0.29888317  0.01210391
   0.33415536  0.44679582  0.33766876
   0.52436327  0.37217687  0.21290595
   0.28211588  0.35468016  0.14340013
   0.24044381  0.07908575  0.43462594
   0.00402814  0.14875207  0.38890507
   0.03090816  0.02893192  0.55590492
   0.47072531  0.26275155  0.76858037
   0.11936241  0.27660685  0.53470025
   0.34455900  0.50940578  0.84051147
   0.43775378  0.46431501  0.66215090
   0.22174576  0.35726126  0.71177311
   0.30394869  0.23460806 -0.09152994
   0.05291979  0.12298274  0.88871842
   0.15681287  0.56477714  0.06379816
   0.40232893  0.68357461  0.26578529
   0.08811089  0.84149830  0.04653771
   0.39699147  0.92091646  0.33938780
   0.42335835  0.88705871  0.15002200
   0.19264391  0.84164182  0.23052656
   0.33086454  0.66335093  0.45488338
   0.06474068  0.66008887  0.40798999
   0.18136755  0.51683727  0.56553116
   0.35471885  0.74291017  0.75520819
   0.13180626  0.77515983  0.56057902
   0.37481789  1.02605907  0.80585611
   0.43604815  0.93360398  0.62567393
   0.17830826  0.93110454  0.70735413
   0.28678273  0.72718691 -0.05367154
   0.03820743  0.64202817  0.91111577
   0.61758006  0.07331290  0.11124070
   0.85276800  0.22987061  0.25683041
   0.61956029  0.31235638  0.04005417
   0.96533389  0.43461297  0.34956358
   0.02306246  0.40833825  0.17501156
   0.75477845  0.46946425  0.17143077
   0.74022217  0.21314987  0.42737874
   0.50026653  0.12060098  0.43819052
   0.67289606  0.05096708  0.56581013
   0.80637585  0.20745417  0.80146708
   0.59579102  0.31448326  0.56195402
   0.87135558  0.46707154  0.85337732
   0.96702429  0.43124168  0.66382875
   0.71388491  0.44697914  0.70346819
   0.80476215  0.12043996  0.98146211
   0.55275265  0.09900201  0.92382413
   0.53355518  0.57927293  0.06769330
   0.84238622  0.69048544  0.30633176
   0.59639649  0.83904458  0.03017617
   0.81132864  0.99180267  0.33694747
   0.92539521  0.86599706  0.18908854
   0.65481394  0.86108886  0.22795929
   0.81394983  0.56717747  0.46827525
   0.55615534  0.54383750  0.38615500
   0.62447492  0.58055979  0.56940921
   0.80704665  0.70883048  0.79611349
   0.65898549  0.77356974  0.42715413
   0.88648326  0.94810976  0.84472519
   0.90420233  0.84802123  0.66052213
   0.66162796  0.92408531  0.73717824
   0.77157493  0.64130324  0.98315919
   0.53492599  0.67135198  0.88815257
   0.64871494  0.79710121  0.59189356
   0.72799192  0.81505457  0.46828369
   0.86233823  0.25036627  0.08728147
   1.04910713  0.42648494  0.29574851
   0.30964348  0.14413195  0.65845617
   0.26837538  0.72204374  0.71668400
   0.01375492  1.13743012  0.12803597
   0.21362785  1.05704242  0.02701690
   0.64530178  0.38265962  0.87962214
   0.90330305  0.47073694  0.62176916
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922633    0.568311   -0.103481
    -0.000000    9.762158   -0.053474
    -0.000000    0.000000   14.047081
   Si   O    H 
    32    64    10
Direct configuration=  1398
   0.17652516  0.16185867 -0.04408868
   0.37335876  0.08397501  0.37665799
   0.14106747  0.41048054  0.09646546
   0.37033885  0.33998538  0.24549332
   0.09861415  0.13328550  0.47846189
   0.43652024  0.15134976  0.85061353
   0.11710431  0.39126883  0.62130737
   0.36780810  0.39732019  0.75390351
   0.13835110  0.69666129 -0.00791428
   0.40297584  0.59206539  0.36485665
   0.07215712  0.91192559  0.15621359
   0.35004652  0.84161752  0.24595070
   0.17761483  0.64659892  0.49730751
   0.37882941  0.66922792  0.85884603
   0.05789341  0.89494942  0.62125505
   0.31724732  1.00530082  0.69603768
   0.64536685  0.15753252  1.00571640
   0.85233894  0.14387301  0.35418098
   0.60190406  0.44086880  0.11628301
   0.87787153  0.33813443  0.17398621
   0.62138665  0.18254992  0.50213057
   0.88978991  0.10692989  0.87837230
   0.59229891  0.44760819  0.62768885
   0.76176207  0.36901321  0.80607656
   0.60897971  0.67784884 -0.00399625
   0.92177640  0.59150050  0.38541281
   0.57815076  0.91556308  0.13206443
   0.80828607  0.85015512  0.26804244
   0.65092673  0.61343737  0.46092665
   0.87398622  0.62623378  0.88328006
   0.60239610  0.92920738  0.62880327
   0.81966393  0.86559009  0.76316113
   0.08599092  0.08071278  0.15486195
   0.34996182  0.17859027  0.28032211
   0.10729947  0.29771434  0.01247102
   0.33261548  0.44859257  0.33611447
   0.52479480  0.37478042  0.21253166
   0.28395318  0.35432864  0.14310593
   0.24007868  0.07977557  0.43437684
   0.00341060  0.14901273  0.38747359
   0.02787452  0.02838714  0.55639384
   0.47074050  0.26309706  0.76784225
   0.11857488  0.27710629  0.53346128
   0.34614617  0.50831310  0.84007009
   0.43802817  0.46495869  0.66217315
   0.22312363  0.35673559  0.71158022
   0.30553601  0.23484955 -0.09021684
   0.05247588  0.12368894  0.88933669
   0.15753883  0.56634184  0.06352355
   0.40169599  0.68402883  0.26571170
   0.08790618  0.84118124  0.04545598
   0.39885193  0.92153896  0.33974340
   0.42271426  0.88596333  0.14961212
   0.19120654  0.84308709  0.22932210
   0.33020805  0.66235980  0.45597107
   0.06633827  0.65863856  0.40845648
   0.18229618  0.51736369  0.56563688
   0.35651030  0.74383301  0.75367678
   0.13214377  0.77664856  0.56014724
   0.37587730  1.02524994  0.80577795
   0.43509303  0.93240576  0.62547817
   0.17928764  0.93110930  0.70549250
   0.28721061  0.72630576 -0.05328124
   0.03715103  0.64055824  0.91279395
   0.61682991  0.07500071  0.11146877
   0.85144394  0.22955293  0.25670456
   0.61866665  0.31269350  0.04054883
   0.96533043  0.43428888  0.34939060
   0.02218806  0.41014273  0.17534883
   0.75498011  0.46784785  0.17259252
   0.74133629  0.21285629  0.42808621
   0.49804859  0.12105550  0.44055229
   0.67393452  0.05065040  0.56454230
   0.80758141  0.20626204  0.80228846
   0.59439625  0.31396705  0.56317568
   0.87119525  0.46738834  0.85330620
   0.96842131  0.43054058  0.66295119
   0.71355385  0.44624392  0.70371794
   0.80385104  0.11985432  0.98099124
   0.55303569  0.09904766  0.92357101
   0.53327382  0.57753883  0.06669686
   0.84098453  0.68941570  0.30664320
   0.59601931  0.84075240  0.03132124
   0.81033123  0.98999366  0.33820776
   0.92461969  0.86639281  0.18886351
   0.65433377  0.86144261  0.22763352
   0.81313415  0.56612830  0.46830948
   0.55547687  0.54464586  0.38558497
   0.62368795  0.58314013  0.56855476
   0.80553466  0.70721603  0.79690806
   0.65841254  0.77305925  0.42651772
   0.88722530  0.94828526  0.84592873
   0.90427617  0.84881377  0.66060968
   0.66247212  0.92357990  0.73700305
   0.77064923  0.63978035  0.98323944
   0.53686864  0.67136421  0.88785579
   0.64064497  0.79256226  0.58664871
   0.72027801  0.81923946  0.47167314
   0.86744242  0.25052047  0.09023400
   1.03657797  0.43196954  0.29635950
   0.31057179  0.14009647  0.65376961
   0.26213401  0.71768440  0.71616823
   0.01627072  1.14042904  0.12956589
   0.21554201  1.05252798  0.02780267
   0.65091796  0.38138856  0.87788398
   0.90297477  0.47739110  0.61780219
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922254    0.570492   -0.105516
    -0.000000    9.765609   -0.053290
    -0.000000    0.000000   14.045175
   Si   O    H 
    32    64    10
Direct configuration=  1399
   0.17694466  0.16184524 -0.04399521
   0.37461257  0.08553766  0.37619491
   0.14128256  0.41096373  0.09611924
   0.36938600  0.34039994  0.24596649
   0.09896419  0.13361320  0.47822227
   0.43526664  0.15206562  0.85096030
   0.11573402  0.38992935  0.62162375
   0.36928992  0.39763692  0.75474466
   0.14035303  0.69690794 -0.00752489
   0.40172223  0.59184503  0.36525314
   0.07155696  0.91024509  0.15575678
   0.34999501  0.84218721  0.24757605
   0.17795004  0.64682793  0.49700349
   0.38037696  0.66851789  0.85833190
   0.05774794  0.89514439  0.62322994
   0.31737280  1.00634143  0.69678071
   0.64572527  0.15703177  1.00639789
   0.85355517  0.14282581  0.35386246
   0.60227431  0.44104615  0.11652326
   0.87700758  0.33970442  0.17327251
   0.62144214  0.18129487  0.50188038
   0.89194266  0.10711535  0.87727127
   0.59224792  0.44846190  0.62878728
   0.76359500  0.36912819  0.80540060
   0.60978052  0.67875407 -0.00355454
   0.92225441  0.59155102  0.38440723
   0.57747200  0.91602765  0.13195443
   0.80670136  0.85171434  0.26771801
   0.65084631  0.61481923  0.46063575
   0.87409311  0.62629172  0.88248774
   0.60204740  0.93008078  0.63005053
   0.81959196  0.86406093  0.76359370
   0.08519962  0.08009986  0.15448809
   0.35030354  0.17765680  0.28107033
   0.10757705  0.29615948  0.01346254
   0.33096855  0.44955980  0.33433882
   0.52511765  0.37770167  0.21210620
   0.28708193  0.35394739  0.14327466
   0.23932046  0.08032784  0.43460793
   0.00342898  0.14977929  0.38621256
   0.02445348  0.02866204  0.55670304
   0.47131619  0.26285264  0.76768514
   0.11805074  0.27792612  0.53235589
   0.34735675  0.50691045  0.83964325
   0.43890843  0.46563883  0.66175201
   0.22374361  0.35635125  0.71184679
   0.30761512  0.23461469 -0.08940046
   0.05140001  0.12416103  0.88946103
   0.15821012  0.56848186  0.06312945
   0.40162160  0.68335726  0.26528114
   0.08761567  0.84104353  0.04442614
   0.40062749  0.92214864  0.33958288
   0.42088015  0.88480743  0.14909791
   0.18956920  0.84482805  0.22786724
   0.32917330  0.66212685  0.45727470
   0.06805968  0.65740264  0.40876717
   0.18231876  0.51789930  0.56631150
   0.35750900  0.74434449  0.75212762
   0.13317649  0.77763585  0.55971614
   0.37671342  1.02356962  0.80502014
   0.43563506  0.93132402  0.62589933
   0.17926421  0.93091179  0.70397491
   0.28691706  0.72525227 -0.05295532
   0.03526225  0.63973761  0.91403806
   0.61575799  0.07648549  0.11112467
   0.85056583  0.22950335  0.25656467
   0.61758407  0.31316634  0.04037849
   0.96546350  0.43340879  0.34880271
   0.02151473  0.41155395  0.17561644
   0.75497134  0.46622778  0.17350830
   0.74204090  0.21319549  0.42942926
   0.49699887  0.12151402  0.44273280
   0.67472363  0.05006301  0.56318563
   0.80869238  0.20565540  0.80253148
   0.59217227  0.31384445  0.56407197
   0.87099874  0.46839702  0.85324447
   0.96944867  0.42996631  0.66204062
   0.71343455  0.44558226  0.70517321
   0.80238603  0.11986260  0.98028872
   0.55357156  0.09946339  0.92334021
   0.53311242  0.57533802  0.06528937
   0.83895390  0.68885833  0.30674661
   0.59525421  0.84165454  0.03232124
   0.80971108  0.98807152  0.33926079
   0.92465124  0.86697050  0.18863807
   0.65409915  0.86113738  0.22736899
   0.81305918  0.56539891  0.46874784
   0.55490978  0.54533283  0.38507688
   0.62187960  0.58510381  0.56727875
   0.80362705  0.70578790  0.79775597
   0.65746597  0.77243548  0.42591938
   0.88706225  0.94952923  0.84717299
   0.90560323  0.84977710  0.66131030
   0.66405003  0.92324526  0.73699516
   0.77094115  0.63825854  0.98274353
   0.53872917  0.67011011  0.88708356
   0.63675073  0.78955505  0.58216333
   0.71043485  0.82644331  0.47321529
   0.87146389  0.24934234  0.09194986
   1.01986635  0.43817641  0.30155743
   0.30958479  0.13740165  0.64635671
   0.26876868  0.71728592  0.72095227
   0.01561855  1.14803305  0.12869951
   0.21538468  1.04857640  0.02481215
   0.66062295  0.38071018  0.87506084
   0.90515515  0.48224105  0.61678133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921879    0.572578   -0.107889
    -0.000000    9.768717   -0.053284
    -0.000000    0.000000   14.043697
   Si   O    H 
    32    64    10
Direct configuration=  1400
   0.17702442  0.16181716 -0.04395422
   0.37508267  0.08646221  0.37605442
   0.14179365  0.41135299  0.09602620
   0.36880383  0.34038357  0.24664940
   0.09949365  0.13335428  0.47780356
   0.43373961  0.15312727  0.85106164
   0.11469960  0.38853485  0.62159294
   0.37003284  0.39724810  0.75505056
   0.14221885  0.69748769 -0.00701780
   0.40048963  0.59129454  0.36567524
   0.07071100  0.90914561  0.15514730
   0.34992999  0.84252242  0.24912023
   0.17792180  0.64735544  0.49674223
   0.38188657  0.66828357  0.85788479
   0.05794514  0.89611781  0.62479784
   0.31780740  1.00667936  0.69734500
   0.64624569  0.15669774  1.00737055
   0.85385734  0.14237574  0.35370855
   0.60372793  0.44060963  0.11746243
   0.87595989  0.34138329  0.17267992
   0.62119292  0.17989308  0.50148676
   0.89338358  0.10753528  0.87651765
   0.59181612  0.44970042  0.62982733
   0.76509234  0.36984664  0.80460324
   0.61072559  0.68043402 -0.00361582
   0.92270643  0.59202140  0.38303474
   0.57765504  0.91661394  0.13221375
   0.80500481  0.85242126  0.26764905
   0.65134116  0.61618580  0.46021016
   0.87437088  0.62635403  0.88178060
   0.60100036  0.93080642  0.63095817
   0.81921510  0.86220291  0.76330906
   0.08499264  0.07993123  0.15402341
   0.35017772  0.17657872  0.28176569
   0.10735406  0.29532052  0.01397812
   0.32868565  0.44985689  0.33216325
   0.52498320  0.38034613  0.21162553
   0.28905786  0.35506926  0.14386350
   0.23802278  0.08114169  0.43528244
   0.00450268  0.15103385  0.38548227
   0.02086286  0.02927802  0.55720372
   0.47212629  0.26269997  0.76766149
   0.11687627  0.27892473  0.53164745
   0.34790037  0.50579684  0.83953681
   0.43935935  0.46652448  0.66147729
   0.22330731  0.35619627  0.71211040
   0.30959534  0.23347099 -0.08898139
   0.05051436  0.12504727  0.88969192
   0.15890459  0.57004301  0.06254465
   0.40109362  0.68318287  0.26540256
   0.08743078  0.84107466  0.04332521
   0.40257740  0.92304759  0.33932606
   0.41910247  0.88363710  0.14871375
   0.18822479  0.84651411  0.22674470
   0.32741715  0.66170603  0.45812133
   0.06910488  0.65659179  0.40871751
   0.18230406  0.51882774  0.56673610
   0.35820162  0.74488929  0.75082637
   0.13440738  0.77858584  0.55945760
   0.37818116  1.02206959  0.80414607
   0.43604679  0.93102257  0.62599859
   0.17917720  0.92922272  0.70260128
   0.28679923  0.72417073 -0.05233833
   0.03378879  0.63984623  0.91489419
   0.61468655  0.07796842  0.11045266
   0.84965703  0.22960125  0.25562973
   0.61603833  0.31409795  0.04015851
   0.96405199  0.43201302  0.34908385
   0.02015337  0.41286883  0.17545532
   0.75480378  0.46451955  0.17382661
   0.74247854  0.21279733  0.43089123
   0.49650399  0.12199806  0.44501962
   0.67456520  0.04942611  0.56178954
   0.80998527  0.20596948  0.80228941
   0.59018178  0.31456145  0.56551858
   0.87072583  0.46898609  0.85279356
   0.97012131  0.42984848  0.66043928
   0.71224240  0.44498041  0.70693585
   0.80051579  0.12013471  0.97923403
   0.55404460  0.09970078  0.92329948
   0.53293413  0.57320139  0.06469237
   0.83644092  0.68848378  0.30634712
   0.59515356  0.84117848  0.03309856
   0.80944989  0.98567308  0.34019689
   0.92459711  0.86758197  0.18825466
   0.65334062  0.86027602  0.22709515
   0.81434202  0.56421812  0.46915423
   0.55455973  0.54620812  0.38482964
   0.62008033  0.58729128  0.56618182
   0.80170932  0.70461605  0.79813551
   0.65737869  0.77205661  0.42567356
   0.88655819  0.95100172  0.84749305
   0.90676004  0.85034309  0.66164941
   0.66564037  0.92268683  0.73689667
   0.77119629  0.63667301  0.98169621
   0.54053369  0.66924619  0.88623145
   0.63424518  0.79174779  0.58149350
   0.69892906  0.83134468  0.47245337
   0.88121530  0.24735197  0.09112352
   1.02563169  0.44246759  0.28962797
   0.30634429  0.13854857  0.64154187
   0.28265977  0.71941081  0.73034391
   0.01700276  1.15268998  0.12714524
   0.21597340  1.05056598  0.01984551
   0.66460902  0.37958571  0.87500355
   0.90965459  0.48152552  0.61905295
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921270    0.573944   -0.110157
    -0.000000    9.771899   -0.053552
    -0.000000    0.000000   14.041877
   Si   O    H 
    32    64    10
Direct configuration=  1401
   0.17669867  0.16193621 -0.04354228
   0.37522546  0.08723205  0.37628441
   0.14224057  0.41121467  0.09598492
   0.36820855  0.34013819  0.24707746
   0.09966514  0.13254576  0.47776080
   0.43262724  0.15413839  0.85099185
   0.11420763  0.38664921  0.62170695
   0.37071632  0.39641067  0.75495821
   0.14400497  0.69821001 -0.00661227
   0.39983262  0.59049037  0.36543600
   0.06976656  0.90822435  0.15414970
   0.34969092  0.84344515  0.25043026
   0.17786721  0.64791964  0.49634535
   0.38233268  0.66823307  0.85739330
   0.05814070  0.89738721  0.62620202
   0.31870711  1.00672446  0.69710360
   0.64614518  0.15573651  1.00867640
   0.85417359  0.14183918  0.35359166
   0.60507585  0.43987250  0.11820005
   0.87493993  0.34331500  0.17246218
   0.62133364  0.17887438  0.50118798
   0.89429142  0.10801085  0.87616127
   0.59116850  0.45161641  0.63097963
   0.76638940  0.37109589  0.80395808
   0.61178528  0.68206925 -0.00369610
   0.92331800  0.59193807  0.38212134
   0.57837452  0.91711152  0.13242626
   0.80337930  0.85277695  0.26771532
   0.65171768  0.61772704  0.45988586
   0.87424868  0.62582825  0.88153001
   0.60003906  0.93168865  0.63198937
   0.81831544  0.86075233  0.76253974
   0.08510078  0.08045611  0.15393254
   0.35001372  0.17640818  0.28150533
   0.10742033  0.29524480  0.01438484
   0.32725679  0.44902476  0.32977521
   0.52523833  0.38228899  0.21134585
   0.29134491  0.35587720  0.14461137
   0.23723467  0.08141313  0.43569643
   0.00525004  0.15266274  0.38444414
   0.01854455  0.02897395  0.55797547
   0.47374745  0.26164342  0.76765288
   0.11612446  0.28010891  0.53058373
   0.34864608  0.50456067  0.83944261
   0.43892903  0.46751055  0.66126523
   0.22289493  0.35617151  0.71274310
   0.31150510  0.23236103 -0.08863443
   0.04918292  0.12598767  0.88979473
   0.15991094  0.57066838  0.06186721
   0.40064546  0.68346255  0.26528224
   0.08698935  0.84150785  0.04235817
   0.40351099  0.92416839  0.33979040
   0.41714793  0.88332481  0.14836990
   0.18690077  0.84793728  0.22571274
   0.32636851  0.66109945  0.45860221
   0.06873910  0.65638610  0.40867887
   0.18245112  0.51971892  0.56772835
   0.36009307  0.74624997  0.75035858
   0.13444326  0.77961769  0.55904989
   0.37968253  1.01977685  0.80278108
   0.43593601  0.93198688  0.62615064
   0.17935944  0.92790557  0.70096078
   0.28684539  0.72332288 -0.05235322
   0.03138659  0.64120757  0.91549247
   0.61415841  0.07829472  0.10969347
   0.84887741  0.22957178  0.25501473
   0.61520318  0.31532614  0.04005964
   0.96310339  0.43114986  0.34919197
   0.01902507  0.41408935  0.17501997
   0.75390585  0.46322763  0.17413675
   0.74299140  0.21209660  0.43138120
   0.49636200  0.12239685  0.44639644
   0.67432613  0.04884492  0.56113250
   0.81150748  0.20656271  0.80177129
   0.58757212  0.31586200  0.56719433
   0.87115223  0.46932009  0.85226967
   0.97104274  0.42912015  0.65883360
   0.71232176  0.44470476  0.70878110
   0.79887347  0.12047976  0.97780166
   0.55447623  0.09928684  0.92369933
   0.53333876  0.57159046  0.06407883
   0.83429142  0.68848114  0.30622031
   0.59562885  0.84000510  0.03339819
   0.80950368  0.98267004  0.34067855
   0.92402105  0.86739271  0.18846487
   0.65268913  0.86021922  0.22689203
   0.81532245  0.56288298  0.46944779
   0.55399768  0.54695219  0.38426123
   0.61922119  0.58882836  0.56602210
   0.79977654  0.70424788  0.79878071
   0.65721271  0.77180670  0.42536723
   0.88594527  0.95168676  0.84765179
   0.90735292  0.85021035  0.66173843
   0.66700223  0.92305361  0.73716634
   0.77223326  0.63468415  0.98054263
   0.54217859  0.66887278  0.88586171
   0.63004110  0.79764537  0.58589629
   0.68627199  0.83542026  0.47360302
   0.88856721  0.24548614  0.08840238
   1.02631234  0.44163023  0.28557419
   0.30351812  0.13539551  0.63995753
   0.27008587  0.71468014  0.73031796
   0.02357086  1.14985712  0.12584087
   0.21761213  1.05143240  0.01489724
   0.66200034  0.37955306  0.87830122
   0.91251138  0.48431951  0.62210558
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920876    0.575137   -0.111682
    -0.000000    9.774956   -0.053880
    -0.000000    0.000000   14.040252
   Si   O    H 
    32    64    10
Direct configuration=  1402
   0.17735131  0.16193919 -0.04327660
   0.37517154  0.08835499  0.37664476
   0.14298627  0.41060260  0.09610578
   0.36831626  0.33988747  0.24772203
   0.09945435  0.13215539  0.47765076
   0.43148410  0.15532114  0.85112254
   0.11465312  0.38486186  0.62188699
   0.37180554  0.39540803  0.75480996
   0.14536593  0.69884994 -0.00631866
   0.39877590  0.58999092  0.36493825
   0.06890314  0.90746524  0.15316462
   0.34948454  0.84431694  0.25094546
   0.17794183  0.64832069  0.49571205
   0.38233266  0.66846361  0.85727073
   0.05778557  0.89820640  0.62752229
   0.31989940  1.00665655  0.69700717
   0.64626167  0.15495293  1.01061592
   0.85464419  0.14129677  0.35344808
   0.60641662  0.43854029  0.11895203
   0.87344251  0.34534311  0.17199707
   0.62199936  0.17828179  0.50095759
   0.89487097  0.10845663  0.87634468
   0.59113714  0.45360443  0.63192905
   0.76777756  0.37256674  0.80327803
   0.61291468  0.68375331 -0.00410937
   0.92364867  0.59217454  0.38097424
   0.57817199  0.91743034  0.13248628
   0.80229296  0.85311647  0.26789910
   0.65223259  0.61910610  0.45958425
   0.87363771  0.62506634  0.88183940
   0.59922591  0.93267037  0.63248485
   0.81811024  0.85908198  0.76186092
   0.08511365  0.07967699  0.15427929
   0.34999687  0.17702209  0.28111461
   0.10777489  0.29569774  0.01481925
   0.32622673  0.44799066  0.32767489
   0.52514837  0.38424687  0.21075391
   0.29351365  0.35657466  0.14536101
   0.23612393  0.08164745  0.43573384
   0.00634625  0.15413409  0.38393274
   0.01662720  0.02904199  0.55862197
   0.47581851  0.26131597  0.76813104
   0.11518593  0.28184127  0.52940594
   0.34936974  0.50360337  0.83879839
   0.43886276  0.46870946  0.66070954
   0.22245583  0.35526904  0.71384519
   0.31296866  0.23110396 -0.08878845
   0.04790251  0.12653516  0.88984273
   0.16026656  0.57089766  0.06150845
   0.40032680  0.68473948  0.26632588
   0.08734806  0.84221502  0.04161342
   0.40371696  0.92671384  0.33994170
   0.41570645  0.88274736  0.14751092
   0.18537202  0.84813647  0.22489869
   0.32566182  0.66024600  0.45923061
   0.06790158  0.65579065  0.40817587
   0.18263457  0.52023206  0.56892412
   0.36201605  0.74735919  0.75048094
   0.13388746  0.78131684  0.55924260
   0.38080357  1.01705392  0.80209350
   0.43665408  0.93280756  0.62618601
   0.17984260  0.92737325  0.70003157
   0.28756622  0.72256872 -0.05280089
   0.02995201  0.64295205  0.91611944
   0.61359602  0.07790227  0.10923503
   0.84800710  0.22997300  0.25446221
   0.61434270  0.31638374  0.03974342
   0.96296421  0.43094868  0.34876511
   0.01798330  0.41536678  0.17442418
   0.75342854  0.46143394  0.17401355
   0.74381633  0.21118672  0.43131090
   0.49554887  0.12187439  0.44729795
   0.67393011  0.04840344  0.56119313
   0.81322717  0.20870688  0.80048519
   0.58588905  0.31567227  0.56851295
   0.87236463  0.46907208  0.85175692
   0.97178482  0.42816224  0.65778029
   0.71243867  0.44394424  0.70980600
   0.79805351  0.12061159  0.97621367
   0.55467309  0.09870471  0.92342316
   0.53374757  0.57070326  0.06408028
   0.83250956  0.68819511  0.30610290
   0.59674899  0.83842348  0.03379536
   0.80956562  0.98044798  0.34089296
   0.92312838  0.86645522  0.18893688
   0.65272466  0.86045549  0.22647913
   0.81633827  0.56140965  0.46994707
   0.55334061  0.54802910  0.38415354
   0.61846075  0.59023381  0.56621909
   0.79752208  0.70402247  0.79888750
   0.65676846  0.77194637  0.42490908
   0.88587428  0.95150872  0.84737216
   0.90756017  0.84975705  0.66199692
   0.66805080  0.92389304  0.73762359
   0.77296046  0.63250972  0.97927291
   0.54370550  0.66862727  0.88510264
   0.62756664  0.80374481  0.59000511
   0.67619134  0.84015751  0.47796881
   0.89431021  0.24372126  0.08941016
   1.02241596  0.43943825  0.28930898
   0.29828182  0.12947519  0.64099853
   0.26369926  0.71364422  0.73026992
   0.02688505  1.14531813  0.12236263
   0.21861636  1.04771299  0.01008734
   0.65638159  0.37798697  0.88062191
   0.90775201  0.49457222  0.62033206
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920450    0.576399   -0.113394
    -0.000000    9.778069   -0.054668
    -0.000000    0.000000   14.038566
   Si   O    H 
    32    64    10
Direct configuration=  1403
   0.17788941  0.16202717 -0.04319831
   0.37518855  0.08871838  0.37698343
   0.14406770  0.41007889  0.09667614
   0.36879458  0.33980544  0.24822116
   0.09906281  0.13116001  0.47799249
   0.43049344  0.15606845  0.85158905
   0.11514776  0.38365436  0.62221954
   0.37263165  0.39441390  0.75464514
   0.14683702  0.69959752 -0.00666049
   0.39773983  0.58999032  0.36425063
   0.06808624  0.90711119  0.15242489
   0.34895562  0.84593951  0.25135201
   0.17814893  0.64882142  0.49554337
   0.38221567  0.66874003  0.85655389
   0.05703389  0.89910570  0.62853706
   0.32139402  1.00654486  0.69678467
   0.64630101  0.15413078  1.01210488
   0.85536520  0.14109110  0.35378511
   0.60743803  0.43700333  0.11975965
   0.87234954  0.34658238  0.17106618
   0.62246415  0.17836891  0.50112233
   0.89487003  0.10864964  0.87695176
   0.59128225  0.45505587  0.63230735
   0.76936173  0.37308668  0.80263503
   0.61383979  0.68500230 -0.00421279
   0.92413303  0.59275026  0.37981023
   0.57677433  0.91778605  0.13259657
   0.80150094  0.85307975  0.26848609
   0.65313598  0.62011822  0.45894138
   0.87321239  0.62372975  0.88257052
   0.59863840  0.93374391  0.63235499
   0.81779602  0.85749696  0.76111498
   0.08466045  0.07816178  0.15473370
   0.34983655  0.17820842  0.28043912
   0.10767251  0.29549178  0.01520646
   0.32544016  0.44718376  0.32672085
   0.52510663  0.38616513  0.21061406
   0.29524998  0.35679111  0.14575843
   0.23587563  0.08103531  0.43586850
   0.00738441  0.15622018  0.38371598
   0.01459633  0.03061418  0.55893121
   0.47840883  0.26146231  0.76856661
   0.11458502  0.28314717  0.52859986
   0.35069725  0.50202538  0.83868242
   0.43870046  0.46967963  0.66107551
   0.22282270  0.35440452  0.71488035
   0.31352493  0.23022412 -0.08890586
   0.04736371  0.12645261  0.89039747
   0.16100416  0.57127010  0.06175348
   0.40048220  0.68475248  0.26710906
   0.08738772  0.84319086  0.04110314
   0.40376000  0.92921150  0.34049647
   0.41482005  0.88303746  0.14695110
   0.18412725  0.84836951  0.22444195
   0.32548128  0.65923206  0.45966140
   0.06730651  0.65530810  0.40768930
   0.18235154  0.51973658  0.57037547
   0.36307594  0.74711676  0.75075689
   0.13387247  0.78284873  0.55991618
   0.38208358  1.01496243  0.80171312
   0.43697285  0.93343999  0.62594792
   0.18026514  0.92732745  0.69895876
   0.28795872  0.72140523 -0.05389822
   0.02829250  0.64511092  0.91730710
   0.61289154  0.07761934  0.10909320
   0.84751579  0.22940065  0.25412660
   0.61406767  0.31707974  0.03896627
   0.96255578  0.43109705  0.34828746
   0.01746200  0.41646967  0.17370275
   0.75216998  0.46114094  0.17378355
   0.74469056  0.20964572  0.43112740
   0.49455269  0.12102198  0.44821334
   0.67424918  0.04819783  0.56139965
   0.81486542  0.21119764  0.79933132
   0.58446356  0.31488035  0.56961043
   0.87338260  0.46892686  0.85149828
   0.97141748  0.42723836  0.65717892
   0.71210912  0.44315516  0.71060999
   0.79751753  0.12080925  0.97461447
   0.55530231  0.09891747  0.92328096
   0.53471304  0.56962230  0.06376506
   0.83118846  0.68857674  0.30533581
   0.59850672  0.83686425  0.03397930
   0.80936277  0.97920335  0.34160884
   0.92195966  0.86578760  0.18957918
   0.65331964  0.86096378  0.22583113
   0.81721978  0.56026458  0.46973421
   0.55305699  0.54874653  0.38475976
   0.61741679  0.59108717  0.56649742
   0.79485000  0.70504290  0.79880682
   0.65655186  0.77256999  0.42450044
   0.88636240  0.95116392  0.84703356
   0.90726385  0.84890024  0.66262200
   0.66858088  0.92539643  0.73826478
   0.77340603  0.63016300  0.97753519
   0.54449539  0.66807812  0.88444466
   0.62829481  0.80677147  0.59098887
   0.66924990  0.83758553  0.47789461
   0.89592208  0.24447323  0.09267114
   1.01734527  0.43462203  0.29569396
   0.28816473  0.12901707  0.64205049
   0.26808761  0.71740860  0.73271197
   0.02804272  1.14723979  0.11614382
   0.22076738  1.04062785  0.00959005
   0.65123291  0.37660314  0.88117876
   0.90984640  0.50154768  0.62023889
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919821    0.577454   -0.115232
    -0.000000    9.780578   -0.055469
    -0.000000    0.000000   14.037062
   Si   O    H 
    32    64    10
Direct configuration=  1404
   0.17888992  0.16154933 -0.04301978
   0.37536048  0.08894184  0.37716225
   0.14490384  0.41078911  0.09762627
   0.36922972  0.34014027  0.24822377
   0.09850034  0.12997265  0.47850968
   0.43008234  0.15646601  0.85194625
   0.11627157  0.38248167  0.62218179
   0.37321424  0.39303610  0.75427775
   0.14771216  0.70007379 -0.00696221
   0.39693248  0.58953315  0.36360691
   0.06694931  0.90685522  0.15135262
   0.34836538  0.84756792  0.25160859
   0.17808563  0.64974625  0.49597982
   0.38234228  0.66904038  0.85615873
   0.05618713  0.90017881  0.62912826
   0.32261304  1.00576158  0.69604868
   0.64588788  0.15440043  1.01375048
   0.85480339  0.14104277  0.35376150
   0.60822561  0.43486040  0.12062784
   0.87193246  0.34705700  0.17031309
   0.62294590  0.17972794  0.50108986
   0.89408017  0.10925449  0.87754914
   0.59156314  0.45616324  0.63304519
   0.77095460  0.37317861  0.80253659
   0.61463629  0.68550957 -0.00443740
   0.92424556  0.59276075  0.37871983
   0.57531028  0.91819809  0.13268873
   0.80148497  0.85295740  0.26916173
   0.65412335  0.62036457  0.45827974
   0.87355078  0.62257579  0.88346498
   0.59853530  0.93448844  0.63213784
   0.81746772  0.85683705  0.76069922
   0.08318757  0.07683939  0.15448294
   0.35041505  0.17939694  0.28008221
   0.10780800  0.29575800  0.01592089
   0.32480243  0.44672106  0.32689341
   0.52465727  0.38735674  0.21059422
   0.29533024  0.35708110  0.14535653
   0.23683266  0.08144649  0.43530984
   0.00862571  0.15818656  0.38418991
   0.01242530  0.03194290  0.55841548
   0.48031960  0.26154950  0.76923994
   0.11369203  0.28437695  0.52791968
   0.35147223  0.50140126  0.83916975
   0.43817968  0.47115656  0.66209404
   0.22295903  0.35398938  0.71572826
   0.31466987  0.22902094 -0.08883636
   0.04789439  0.12681079  0.89093975
   0.16250201  0.57076513  0.06232675
   0.40126149  0.68515829  0.26815044
   0.08791211  0.84509954  0.04047197
   0.40428771  0.93139641  0.34077333
   0.41545748  0.88343741  0.14659666
   0.18430634  0.84957410  0.22372375
   0.32522977  0.65790134  0.45982634
   0.06606083  0.65493496  0.40720556
   0.18178938  0.51865091  0.57154571
   0.36318513  0.74669671  0.75198137
   0.13352830  0.78497643  0.56076703
   0.38290442  1.01294696  0.80202686
   0.43714614  0.93358472  0.62576278
   0.18090738  0.92741385  0.69810573
   0.28855235  0.72116427 -0.05499476
   0.02701306  0.64718839  0.91848736
   0.61174861  0.07721129  0.10948334
   0.84724498  0.22893309  0.25335632
   0.61420246  0.31771343  0.03886569
   0.96198322  0.43195754  0.34791725
   0.01702498  0.41689134  0.17294652
   0.75172140  0.46170967  0.17338292
   0.74550990  0.20795726  0.43083476
   0.49367991  0.11997754  0.44880913
   0.67513537  0.04832125  0.56151634
   0.81645229  0.21343202  0.79795242
   0.58357073  0.31438469  0.57011753
   0.87523985  0.46759268  0.85152928
   0.97090739  0.42689563  0.65638194
   0.71072697  0.44205690  0.71058356
   0.79678029  0.12106930  0.97339009
   0.55506611  0.09902542  0.92311936
   0.53599840  0.56825275  0.06325048
   0.83069174  0.68932475  0.30531946
   0.60048090  0.83546223  0.03426014
   0.80901316  0.97769238  0.34217525
   0.92132561  0.86476288  0.18983048
   0.65457683  0.86133422  0.22500049
   0.81810388  0.55890741  0.46925041
   0.55269238  0.54978704  0.38578007
   0.61642539  0.59216763  0.56732940
   0.79311654  0.70590234  0.79937260
   0.65590791  0.77356828  0.42380986
   0.88683775  0.94914601  0.84610168
   0.90728480  0.84814320  0.66344468
   0.66940888  0.92650413  0.73906802
   0.77405306  0.62763528  0.97653196
   0.54473716  0.66732430  0.88338584
   0.63112609  0.80607043  0.58672808
   0.66311034  0.83624517  0.47809442
   0.89554622  0.24662278  0.09389286
   1.02657163  0.42560749  0.29381906
   0.27606799  0.13262772  0.64528201
   0.28006924  0.72321130  0.73653543
   0.02921706  1.14474870  0.11304841
   0.22693522  1.03311395  0.01006078
   0.64990994  0.37167395  0.87992848
   0.91999621  0.50234262  0.62252983
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919528    0.578336   -0.116926
    -0.000000    9.782709   -0.056232
    -0.000000    0.000000   14.035435
   Si   O    H 
    32    64    10
Direct configuration=  1405
   0.17958005  0.16118535 -0.04276939
   0.37566732  0.08842955  0.37738638
   0.14620927  0.41178049  0.09874022
   0.37014684  0.34008981  0.24757583
   0.09831211  0.12938283  0.47923831
   0.42978110  0.15683950  0.85229276
   0.11719101  0.38069662  0.62195202
   0.37387417  0.39173435  0.75379238
   0.14806915  0.69995036 -0.00721540
   0.39624678  0.58885253  0.36292882
   0.06616711  0.90726074  0.15030590
   0.34779493  0.84972522  0.25130515
   0.17784867  0.65061502  0.49677675
   0.38233975  0.66840132  0.85596069
   0.05579101  0.90186385  0.62879700
   0.32320400  1.00485104  0.69509811
   0.64524003  0.15479086  1.01508661
   0.85344624  0.14042602  0.35357424
   0.60836088  0.43315007  0.12147743
   0.87220892  0.34733504  0.16953241
   0.62286139  0.18057039  0.50121823
   0.89322157  0.10986482  0.87820069
   0.59153007  0.45783358  0.63338280
   0.77244573  0.37295472  0.80271385
   0.61513341  0.68528305 -0.00482972
   0.92380867  0.59237517  0.37760162
   0.57450550  0.91773400  0.13234282
   0.80159039  0.85253576  0.26998564
   0.65457612  0.62027857  0.45766769
   0.87447719  0.62133783  0.88404204
   0.59870699  0.93504961  0.63217994
   0.81733052  0.85624485  0.76046332
   0.08147326  0.07593179  0.15445436
   0.35083099  0.18090140  0.28018279
   0.10836156  0.29631092  0.01668559
   0.32324782  0.44641945  0.32773796
   0.52460936  0.38933967  0.21092582
   0.29407635  0.35743950  0.14519312
   0.23782903  0.08106230  0.43452139
   0.00985836  0.15878172  0.38491010
   0.01103988  0.03380779  0.55872461
   0.48160728  0.26170473  0.77032154
   0.11300004  0.28501787  0.52808922
   0.35200600  0.50192996  0.83965521
   0.43809158  0.47191973  0.66372334
   0.22234823  0.35407069  0.71622438
   0.31511408  0.22805785 -0.08849296
   0.04940002  0.12689508  0.89105611
   0.16424287  0.56973331  0.06323237
   0.40238115  0.68586318  0.26886930
   0.08768996  0.84647900  0.04066348
   0.40436152  0.93331010  0.34046429
   0.41561717  0.88469759  0.14648246
   0.18477618  0.85014855  0.22292191
   0.32534662  0.65682785  0.45940824
   0.06608171  0.65403751  0.40697094
   0.18035943  0.51781080  0.57222116
   0.36420295  0.74717317  0.75340150
   0.13305057  0.78694862  0.56195309
   0.38371565  1.01115552  0.80292189
   0.43815616  0.93411390  0.62555536
   0.18098494  0.92843655  0.69778118
   0.28914461  0.72065635 -0.05584958
   0.02570606  0.64896268  0.91958664
   0.61006982  0.07616239  0.11006661
   0.84697809  0.22820821  0.25275929
   0.61482853  0.31815837  0.03880555
   0.96177899  0.43252708  0.34775359
   0.01700610  0.41687245  0.17219360
   0.75183676  0.46168690  0.17231176
   0.74658036  0.20596637  0.43006663
   0.49190824  0.11892912  0.44887444
   0.67592408  0.04761354  0.56258350
   0.81874866  0.21409896  0.79646413
   0.58248116  0.31373150  0.57023626
   0.87785699  0.46602241  0.85181814
   0.96948629  0.42727195  0.65652270
   0.70907247  0.44125424  0.70981291
   0.79712428  0.12008776  0.97235734
   0.55457230  0.09972814  0.92277873
   0.53763177  0.56694623  0.06325418
   0.83032369  0.69006739  0.30534655
   0.60261208  0.83416943  0.03421172
   0.80874685  0.97722042  0.34261437
   0.92061405  0.86304773  0.18953801
   0.65497146  0.86187986  0.22408233
   0.81909395  0.55805062  0.46813495
   0.55200708  0.55098543  0.38612878
   0.61586955  0.59336085  0.56855718
   0.79187220  0.70687350  0.79989663
   0.65457353  0.77613715  0.42337343
   0.88731017  0.94683362  0.84474645
   0.90698254  0.84792973  0.66455763
   0.67020016  0.92727147  0.74002574
   0.77488876  0.62561155  0.97517918
   0.54574933  0.66662194  0.88232271
   0.63742977  0.79958169  0.58125993
   0.65945232  0.83640031  0.47677701
   0.89287655  0.24950459  0.09476866
   1.03218126  0.41907328  0.29334743
   0.26770298  0.13948501  0.64972839
   0.27284287  0.72595123  0.73240963
   0.03496758  1.13630582  0.11460278
   0.23198390  1.03109556  0.00778743
   0.65097351  0.36714694  0.87681289
   0.92834198  0.50415177  0.62360079
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919331    0.578894   -0.118900
    -0.000000    9.785030   -0.056520
    -0.000000    0.000000   14.033582
   Si   O    H 
    32    64    10
Direct configuration=  1406
   0.18022742  0.16110105 -0.04247300
   0.37590001  0.08768535  0.37782458
   0.14713785  0.41276363  0.09948325
   0.37154354  0.34022479  0.24676622
   0.09768941  0.12912863  0.48028880
   0.43003542  0.15629946  0.85217780
   0.11848583  0.38007853  0.62155242
   0.37398337  0.39070005  0.75307528
   0.14776604  0.69962073 -0.00735839
   0.39594261  0.58812841  0.36260710
   0.06530036  0.90747581  0.14970428
   0.34690482  0.85135137  0.25105708
   0.17755258  0.65107560  0.49783721
   0.38279970  0.66742848  0.85552958
   0.05520854  0.90376309  0.62824568
   0.32370863  1.00413236  0.69441258
   0.64457437  0.15545651  1.01570404
   0.85207251  0.14003034  0.35343510
   0.60863566  0.43170130  0.12199851
   0.87317290  0.34689891  0.16907568
   0.62248809  0.18158578  0.50151946
   0.89212753  0.11017660  0.87822391
   0.59196884  0.45915880  0.63351567
   0.77261039  0.37287928  0.80287437
   0.61597916  0.68423682 -0.00544508
   0.92273108  0.59155185  0.37665201
   0.57317452  0.91741635  0.13208003
   0.80212665  0.85169952  0.27083519
   0.65515152  0.61985607  0.45736891
   0.87513658  0.62004457  0.88446517
   0.59884532  0.93586617  0.63211032
   0.81751334  0.85630434  0.76009503
   0.08039770  0.07443967  0.15460886
   0.35173590  0.18194570  0.28021757
   0.10825631  0.29671302  0.01705750
   0.32145375  0.44686236  0.32894559
   0.52308256  0.39096612  0.21120956
   0.29297288  0.35709952  0.14474072
   0.23921199  0.08042587  0.43374903
   0.01084741  0.15930636  0.38536882
   0.01050304  0.03528667  0.55882847
   0.48281073  0.26158939  0.77185784
   0.11224470  0.28410392  0.52862733
   0.35249254  0.50209507  0.84032283
   0.43821058  0.47217841  0.66543170
   0.22211393  0.35459396  0.71699342
   0.31500714  0.22785488 -0.08830271
   0.05145610  0.12707784  0.89093916
   0.16585165  0.56780106  0.06414418
   0.40332238  0.68591100  0.26910541
   0.08763708  0.84768953  0.04115961
   0.40427341  0.93505709  0.34021291
   0.41558136  0.88589076  0.14686953
   0.18490362  0.85056111  0.22186188
   0.32589392  0.65621482  0.45826321
   0.06596072  0.65293951  0.40714416
   0.17937403  0.51717105  0.57215326
   0.36554466  0.74707952  0.75511603
   0.13155873  0.78854860  0.56252293
   0.38378941  1.01009312  0.80366036
   0.43800846  0.93444720  0.62528508
   0.18084835  0.92923050  0.69745726
   0.28981859  0.72050455 -0.05686714
   0.02446417  0.65144731  0.92006671
   0.60834119  0.07523765  0.11098383
   0.84657093  0.22835073  0.25181421
   0.61566869  0.31810997  0.03885842
   0.96215655  0.43355475  0.34779484
   0.01708393  0.41682417  0.17184076
   0.75262490  0.46103572  0.17138453
   0.74671190  0.20484023  0.42982258
   0.49004158  0.11792319  0.44970432
   0.67584147  0.04754426  0.56376178
   0.82057498  0.21437232  0.79531159
   0.58120621  0.31344620  0.57004728
   0.87986846  0.46531778  0.85208055
   0.96810585  0.42728024  0.65733648
   0.70714442  0.44073817  0.70858089
   0.79774678  0.11882086  0.97179610
   0.55395398  0.09906144  0.92248157
   0.53972280  0.56576303  0.06360430
   0.82909299  0.69089334  0.30531527
   0.60475454  0.83345272  0.03350151
   0.80879492  0.97761608  0.34308503
   0.91989535  0.86119263  0.18891681
   0.65563350  0.86228930  0.22322962
   0.81999424  0.55788075  0.46626624
   0.55082461  0.55163851  0.38682914
   0.61596603  0.59472510  0.57020728
   0.79028976  0.70817706  0.80009837
   0.65359235  0.77849403  0.42319851
   0.88749729  0.94479979  0.84397146
   0.90698286  0.84742400  0.66557015
   0.67031945  0.92778924  0.74118832
   0.77511776  0.62399963  0.97400993
   0.54607690  0.66635106  0.88177450
   0.64338387  0.79718111  0.58063402
   0.65650685  0.84119959  0.47739237
   0.88874351  0.24878864  0.09132948
   1.02756418  0.41183914  0.29798156
   0.26701941  0.14103207  0.65644357
   0.26914671  0.72808965  0.72960267
   0.03453507  1.13841468  0.11127210
   0.23630633  1.03327772  0.00549253
   0.65701382  0.36447537  0.87270713
   0.93224753  0.50667767  0.62336410
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918933    0.579219   -0.120408
    -0.000000    9.787154   -0.056514
    -0.000000    0.000000   14.031683
   Si   O    H 
    32    64    10
Direct configuration=  1407
   0.18007350  0.16060548 -0.04181036
   0.37513980  0.08687205  0.37814561
   0.14838895  0.41333378  0.10016392
   0.37213925  0.34041097  0.24599407
   0.09741428  0.12894373  0.48146490
   0.43045522  0.15537465  0.85248084
   0.11978696  0.37936684  0.62111408
   0.37417823  0.38970646  0.75293602
   0.14770795  0.69961531 -0.00772661
   0.39576371  0.58790125  0.36252400
   0.06440279  0.90838048  0.14925006
   0.34601531  0.85273049  0.25038910
   0.17660114  0.65209989  0.49935982
   0.38358189  0.66598794  0.85481902
   0.05392348  0.90608843  0.62770961
   0.32403212  1.00385540  0.69423429
   0.64357844  0.15589724  1.01621924
   0.85066506  0.13919701  0.35287010
   0.60921815  0.43076444  0.12223371
   0.87404905  0.34649605  0.16897190
   0.62186787  0.18244333  0.50199383
   0.89125082  0.11008200  0.87794671
   0.59175355  0.46018835  0.63333789
   0.77236364  0.37216626  0.80300762
   0.61604294  0.68293293 -0.00629034
   0.92126360  0.59066396  0.37569508
   0.57225858  0.91692281  0.13176073
   0.80308142  0.85063044  0.27132288
   0.65589411  0.61904596  0.45717999
   0.87561657  0.61930373  0.88487002
   0.59999781  0.93608061  0.63227181
   0.81721571  0.85632651  0.75970479
   0.07954955  0.07264715  0.15456909
   0.35358333  0.18412805  0.28037903
   0.10765585  0.29727572  0.01718895
   0.32111361  0.44672524  0.32991637
   0.52100159  0.39239392  0.21161677
   0.29215582  0.35623759  0.14482788
   0.24073237  0.08005262  0.43342196
   0.01176333  0.15950707  0.38581990
   0.01038165  0.03616007  0.55877106
   0.48462634  0.26127355  0.77312502
   0.11215642  0.28344260  0.52900176
   0.35259836  0.50160481  0.84035104
   0.43684158  0.47295969  0.66682725
   0.22146651  0.35492297  0.71752649
   0.31412691  0.22791416 -0.08844206
   0.05299769  0.12707853  0.89084653
   0.16781886  0.56712897  0.06467728
   0.40442576  0.68593344  0.26911365
   0.08717071  0.84845555  0.04161952
   0.40474266  0.93536807  0.33958863
   0.41583501  0.88785369  0.14746930
   0.18446748  0.85182645  0.22093814
   0.32664510  0.65530638  0.45701422
   0.06681190  0.65206121  0.40776060
   0.17855368  0.51688501  0.57169762
   0.36611175  0.74701099  0.75661584
   0.12956232  0.78983881  0.56300974
   0.38283760  1.01014074  0.80477624
   0.43772036  0.93477721  0.62537221
   0.18089569  0.92887990  0.69705398
   0.29063713  0.72072349 -0.05772653
   0.02361649  0.65372964  0.92089616
   0.60664243  0.07434278  0.11167025
   0.84635782  0.22864018  0.25120561
   0.61644522  0.31805345  0.03945103
   0.96220742  0.43458553  0.34790323
   0.01684362  0.41662580  0.17132349
   0.75318750  0.46092555  0.17065731
   0.74684108  0.20391342  0.42943533
   0.48957286  0.11705690  0.44983210
   0.67534684  0.04774405  0.56519686
   0.82261533  0.21389148  0.79408858
   0.58064401  0.31255570  0.57024328
   0.88261315  0.46433822  0.85197921
   0.96710611  0.42735224  0.65865704
   0.70576910  0.43959158  0.70699338
   0.79846528  0.11758538  0.97171145
   0.55327381  0.09813361  0.92210558
   0.54283822  0.56524003  0.06409160
   0.82877843  0.69231095  0.30542494
   0.60660053  0.83298808  0.03325851
   0.80823756  0.97858739  0.34328592
   0.91842166  0.86008198  0.18864693
   0.65573362  0.86252969  0.22283876
   0.82061283  0.55791811  0.46465695
   0.54955372  0.55224683  0.38752898
   0.61533436  0.59634069  0.57152631
   0.78824578  0.70935634  0.80009112
   0.65321136  0.78069774  0.42278649
   0.88798815  0.94253076  0.84322877
   0.90749072  0.84735760  0.66662463
   0.66987576  0.92846846  0.74179985
   0.77424929  0.62214741  0.97357264
   0.54514054  0.66587834  0.88246774
   0.64753697  0.80000169  0.58021248
   0.65355091  0.84704242  0.47753280
   0.88370666  0.25073319  0.08726866
   1.02163880  0.40814787  0.30207430
   0.27058776  0.14211128  0.66246812
   0.27519077  0.73311626  0.72789871
   0.03438602  1.14075231  0.10490687
   0.24271922  1.03543267  0.00344502
   0.66130606  0.36770843  0.86550097
   0.93387302  0.51086742  0.62275848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918783    0.579643   -0.121760
    -0.000000    9.789111   -0.056884
    -0.000000    0.000000   14.029959
   Si   O    H 
    32    64    10
Direct configuration=  1408
   0.18050071  0.16017391 -0.04097735
   0.37442637  0.08604266  0.37838035
   0.14933330  0.41359560  0.10086545
   0.37279641  0.34047820  0.24552725
   0.09697099  0.12867691  0.48267018
   0.43149517  0.15388037  0.85286430
   0.12152760  0.37941148  0.62063898
   0.37460404  0.38934021  0.75317842
   0.14734518  0.69982402 -0.00777539
   0.39537821  0.58784099  0.36239385
   0.06309758  0.90899755  0.14888840
   0.34533353  0.85341591  0.24948791
   0.17543036  0.65220420  0.50133755
   0.38443527  0.66419981  0.85378219
   0.05277019  0.90834306  0.62750032
   0.32379150  1.00349999  0.69435146
   0.64254190  0.15576964  1.01642987
   0.84901346  0.13833945  0.35199963
   0.60926855  0.43009813  0.12244157
   0.87449217  0.34560606  0.16855187
   0.62111457  0.18301142  0.50225498
   0.89005490  0.11018806  0.87750926
   0.59166132  0.46096030  0.63334375
   0.77184343  0.37184808  0.80362256
   0.61589319  0.68057990 -0.00685076
   0.92000097  0.58982446  0.37499191
   0.57118081  0.91620087  0.13176107
   0.80436193  0.84975951  0.27126858
   0.65639436  0.61827267  0.45704876
   0.87666015  0.61891324  0.88549305
   0.60155545  0.93604889  0.63212053
   0.81657639  0.85665607  0.75926027
   0.07909433  0.07149682  0.15413530
   0.35518912  0.18636267  0.27989117
   0.10798035  0.29788585  0.01772550
   0.32124518  0.44649437  0.33116025
   0.51901246  0.39270860  0.21198445
   0.29153522  0.35564070  0.14514388
   0.24189424  0.07851581  0.43346650
   0.01233891  0.15968891  0.38623289
   0.00981699  0.03742075  0.55864348
   0.48594876  0.26079368  0.77415946
   0.11210033  0.28249268  0.52960675
   0.35260901  0.50066237  0.84005798
   0.43594254  0.47398743  0.66818809
   0.22130560  0.35553750  0.71819496
   0.31359768  0.22825605 -0.08825431
   0.05447944  0.12735120  0.89048591
   0.16941561  0.56671234  0.06543616
   0.40568750  0.68705884  0.26954452
   0.08678686  0.84907972  0.04225800
   0.40535502  0.93575732  0.33888543
   0.41583242  0.88966419  0.14738878
   0.18454789  0.85257943  0.21986917
   0.32780346  0.65414262  0.45612283
   0.06794272  0.65078513  0.40855525
   0.17777923  0.51631932  0.57105893
   0.36632786  0.74638954  0.75733885
   0.12771993  0.79024281  0.56345286
   0.38172992  1.01087434  0.80536963
   0.43786743  0.93462535  0.62588811
   0.18070011  0.92873762  0.69710824
   0.29060140  0.72050687 -0.05833269
   0.02292040  0.65513151  0.92193871
   0.60499301  0.07357927  0.11226894
   0.84648262  0.22806746  0.25094616
   0.61667411  0.31770121  0.03948277
   0.96213701  0.43677688  0.34868566
   0.01663506  0.41683863  0.17082537
   0.75286257  0.46115328  0.16999491
   0.74720318  0.20240390  0.42955569
   0.48918973  0.11634812  0.45021014
   0.67485271  0.04809718  0.56658266
   0.82382288  0.21317230  0.79331937
   0.57971161  0.31211752  0.57054433
   0.88532137  0.46354392  0.85218311
   0.96741256  0.42805831  0.65992879
   0.70590801  0.43956916  0.70576479
   0.79937573  0.11710389  0.97171970
   0.55277027  0.09727079  0.92121576
   0.54612113  0.56574576  0.06425962
   0.82875020  0.69369616  0.30516028
   0.60754614  0.83254826  0.03229559
   0.80664494  0.97912333  0.34358804
   0.91712069  0.85865745  0.18876298
   0.65592918  0.86231191  0.22181505
   0.82064056  0.55898888  0.46326400
   0.54899835  0.55348948  0.38842207
   0.61496288  0.59737989  0.57265390
   0.78645972  0.71037635  0.80037980
   0.65172860  0.78313866  0.42297649
   0.88882702  0.94094975  0.84255750
   0.90852723  0.84737993  0.66746544
   0.66931362  0.92897280  0.74159627
   0.77376152  0.62052645  0.97323273
   0.54447020  0.66561527  0.88384825
   0.65144250  0.80770171  0.58318962
   0.65098652  0.85075032  0.47612656
   0.87452984  0.25272520  0.08288984
   1.03224950  0.40062419  0.29732929
   0.27922121  0.14121352  0.66640967
   0.28326187  0.73561534  0.72585850
   0.03935157  1.13501562  0.10697722
   0.24289242  1.04115435  0.00062902
   0.66192976  0.37213838  0.86222506
   0.93666430  0.51075825  0.62244228
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918631    0.579495   -0.122976
    -0.000000    9.791458   -0.056581
    -0.000000    0.000000   14.028129
   Si   O    H 
    32    64    10
Direct configuration=  1409
   0.18105961  0.16011787 -0.04022361
   0.37421852  0.08512817  0.37797397
   0.15044474  0.41342427  0.10161981
   0.37370896  0.34088051  0.24501337
   0.09698337  0.12867147  0.48349166
   0.43334345  0.15173315  0.85343192
   0.12301369  0.37922228  0.62020080
   0.37430633  0.38961686  0.75355834
   0.14692202  0.70082906 -0.00781760
   0.39515281  0.58799946  0.36252742
   0.06183721  0.90964318  0.14879415
   0.34422584  0.85294223  0.24859747
   0.17411945  0.65337866  0.50326924
   0.38555774  0.66255304  0.85290621
   0.05165468  0.91010115  0.62730064
   0.32356969  1.00327022  0.69443394
   0.64136249  0.15490259  1.01663735
   0.84775040  0.13840782  0.35125534
   0.60907764  0.43083793  0.12273639
   0.87496481  0.34439744  0.16830056
   0.62067676  0.18280029  0.50241708
   0.88908558  0.10985736  0.87716720
   0.59120911  0.46188949  0.63291606
   0.77139297  0.37187875  0.80378454
   0.61540299  0.67844618 -0.00772758
   0.91910252  0.58912008  0.37470755
   0.57032226  0.91591687  0.13161259
   0.80548935  0.84833982  0.27150399
   0.65720335  0.61761457  0.45710133
   0.87704056  0.61903910  0.88611669
   0.60324352  0.93570139  0.63197772
   0.81515098  0.85758070  0.75894150
   0.07797995  0.07055667  0.15398332
   0.35643415  0.18860785  0.27979506
   0.10876644  0.29925772  0.01790561
   0.32086224  0.44584549  0.33233816
   0.51678691  0.39205259  0.21228211
   0.29036069  0.35527690  0.14586935
   0.24278927  0.07701706  0.43406249
   0.01240861  0.15839500  0.38666989
   0.01032560  0.03849349  0.55826802
   0.48669831  0.25982349  0.77470103
   0.11152579  0.28131183  0.52963258
   0.35365233  0.50015462  0.83949435
   0.43582554  0.47480602  0.67012016
   0.22137779  0.35637683  0.71894548
   0.31285665  0.22940689 -0.08836088
   0.05594006  0.12729051  0.89014351
   0.17047627  0.56604087  0.06628911
   0.40670462  0.68878372  0.26945196
   0.08637126  0.84834752  0.04252527
   0.40536912  0.93603458  0.33821877
   0.41627104  0.89140998  0.14796305
   0.18513975  0.85343675  0.21934283
   0.32862896  0.65283776  0.45555384
   0.06913390  0.64954949  0.40981419
   0.17754421  0.51617173  0.57018822
   0.36730120  0.74525179  0.75783166
   0.12607071  0.79028402  0.56369554
   0.38129779  1.01187804  0.80583036
   0.43791452  0.93430976  0.62660259
   0.18023730  0.92915407  0.69716435
   0.29006045  0.71964880 -0.05941869
   0.02281491  0.65662269  0.92264941
   0.60316293  0.07299324  0.11275141
   0.84686766  0.22750800  0.25099242
   0.61617711  0.31771347  0.03965511
   0.96184490  0.43881177  0.34849965
   0.01689006  0.41731984  0.17049074
   0.75296430  0.46110597  0.16858579
   0.74804117  0.20147222  0.42924120
   0.48961526  0.11620256  0.45098641
   0.67452092  0.04825413  0.56792498
   0.82584665  0.21256432  0.79295571
   0.57824423  0.31156465  0.57094500
   0.88780149  0.46230022  0.85247677
   0.96740664  0.42873398  0.66035327
   0.70631767  0.44051815  0.70512038
   0.79955279  0.11648724  0.97169614
   0.55357873  0.09643453  0.92105942
   0.54943322  0.56598126  0.06464915
   0.82952790  0.69517311  0.30456359
   0.60731193  0.83196576  0.03155568
   0.80597518  0.97857903  0.34415875
   0.91698981  0.85721623  0.18860715
   0.65571038  0.86205463  0.22125127
   0.82034348  0.55983645  0.46154814
   0.54931936  0.55492335  0.38970015
   0.61522694  0.59690854  0.57400310
   0.78515156  0.71046798  0.80122585
   0.65021285  0.78528896  0.42328678
   0.88940672  0.94030559  0.84199464
   0.91003799  0.84770854  0.66795923
   0.66798606  0.93082206  0.74142057
   0.77262009  0.61925198  0.97332520
   0.54333390  0.66549370  0.88531387
   0.65414186  0.81914851  0.58568787
   0.65050569  0.85358093  0.47398369
   0.86769726  0.25596927  0.08012139
   1.03737864  0.40090464  0.29798808
   0.28746941  0.14149525  0.67011149
   0.28208356  0.73733299  0.72163612
   0.03963056  1.13293414  0.11008189
   0.24058427  1.04231988  0.00160420
   0.65946959  0.37618264  0.86259718
   0.94041312  0.50578007  0.62345408
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918489    0.579861   -0.123571
    -0.000000    9.793747   -0.055997
    -0.000000    0.000000   14.026413
   Si   O    H 
    32    64    10
Direct configuration=  1410
   0.18097030  0.16026290 -0.03966767
   0.37428181  0.08401947  0.37741727
   0.15139939  0.41248710  0.10190118
   0.37375730  0.34073487  0.24435351
   0.09689109  0.12866421  0.48394084
   0.43465295  0.14959583  0.85352951
   0.12434429  0.37897007  0.61967427
   0.37373950  0.39056776  0.75365334
   0.14624221  0.70171907 -0.00747299
   0.39521438  0.58824167  0.36256096
   0.06112672  0.90926630  0.14887156
   0.34312323  0.85154591  0.24780898
   0.17352124  0.65432001  0.50502744
   0.38656543  0.66088702  0.85254474
   0.05069295  0.91200454  0.62719700
   0.32345731  1.00250855  0.69510541
   0.64067618  0.15394967  1.01685348
   0.84648302  0.13874849  0.35069034
   0.60907295  0.43166027  0.12315809
   0.87530427  0.34366305  0.16788802
   0.62041701  0.18249883  0.50248353
   0.88829395  0.10957050  0.87684311
   0.59059877  0.46258034  0.63246543
   0.77150172  0.37207955  0.80384820
   0.61486389  0.67690590 -0.00879431
   0.91861113  0.58934211  0.37425365
   0.56969491  0.91500167  0.13123550
   0.80628515  0.84723440  0.27179922
   0.65837881  0.61682842  0.45713828
   0.87722089  0.61936742  0.88645396
   0.60487840  0.93553837  0.63141055
   0.81375983  0.85862672  0.75885258
   0.07806366  0.06977912  0.15381946
   0.35760503  0.19067135  0.28036241
   0.11030006  0.30022065  0.01749430
   0.31990089  0.44535107  0.33324998
   0.51474892  0.39150510  0.21242976
   0.28891445  0.35420830  0.14703554
   0.24298047  0.07534560  0.43485480
   0.01135322  0.15708277  0.38689116
   0.01133181  0.03944007  0.55751606
   0.48671744  0.25876334  0.77540100
   0.11168123  0.27988942  0.52960130
   0.35467017  0.49994197  0.83922328
   0.43617203  0.47636074  0.67087683
   0.22043379  0.35701077  0.71930863
   0.31148862  0.23104197 -0.08883333
   0.05676138  0.12731798  0.88979650
   0.17153673  0.56662525  0.06736075
   0.40783855  0.68990270  0.26949213
   0.08564706  0.84676590  0.04275356
   0.40545042  0.93526688  0.33722088
   0.41553443  0.89376434  0.14807098
   0.18507243  0.85463697  0.21894571
   0.32875455  0.65184386  0.45486584
   0.06919797  0.64826465  0.41093960
   0.17725298  0.51647645  0.56976652
   0.36842507  0.74441707  0.75799769
   0.12432216  0.79057257  0.56408724
   0.38126344  1.01293704  0.80632138
   0.43824781  0.93410020  0.62705477
   0.18055655  0.92977021  0.69770425
   0.28854475  0.71951125 -0.06020937
   0.02219100  0.65849482  0.92268807
   0.60251516  0.07263864  0.11326116
   0.84695160  0.22774444  0.25059187
   0.61535977  0.31635549  0.03918254
   0.96217845  0.43936418  0.34743306
   0.01790249  0.41812284  0.16986189
   0.75336967  0.46108228  0.16735062
   0.74870843  0.20120991  0.42903103
   0.49098518  0.11607661  0.45085615
   0.67465707  0.04815396  0.56860783
   0.82671709  0.21192692  0.79227070
   0.57712512  0.31094105  0.57129723
   0.89013009  0.46051185  0.85278673
   0.96759913  0.42805287  0.66065403
   0.70761207  0.44105755  0.70491724
   0.79986559  0.11632491  0.97176503
   0.55393114  0.09578172  0.92132110
   0.55267685  0.56618819  0.06499406
   0.82962998  0.69619235  0.30382724
   0.60778678  0.83151912  0.03093920
   0.80538229  0.97834635  0.34491980
   0.91755857  0.85574805  0.18817635
   0.65551641  0.86205960  0.22094375
   0.81990116  0.56094441  0.46025342
   0.54939246  0.55569002  0.39059663
   0.61469952  0.59663679  0.57492411
   0.78396402  0.70926708  0.80184518
   0.64875972  0.78603757  0.42326414
   0.89006968  0.93964845  0.84241371
   0.91201875  0.84798130  0.66828838
   0.66656037  0.93252648  0.74113508
   0.77159949  0.61807906  0.97280612
   0.54318574  0.66651580  0.88678049
   0.66275040  0.82442198  0.58587322
   0.65070220  0.85912894  0.47175045
   0.86031447  0.26227874  0.07811818
   1.02909429  0.40539063  0.30358805
   0.29224069  0.14362508  0.67397396
   0.28384954  0.73715326  0.71523502
   0.03446965  1.13838861  0.10643138
   0.23710456  1.03781719  0.00217908
   0.65217936  0.38103544  0.86666844
   0.93803319  0.50599270  0.61870192
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917920    0.580360   -0.124418
    -0.000000    9.795992   -0.055049
    -0.000000    0.000000   14.024934
   Si   O    H 
    32    64    10
Direct configuration=  1411
   0.18080365  0.16041704 -0.03946549
   0.37444050  0.08358038  0.37645866
   0.15214803  0.41179873  0.10213364
   0.37379203  0.34118104  0.24386125
   0.09676002  0.12875891  0.48411980
   0.43613048  0.14786093  0.85378012
   0.12526533  0.37908615  0.61907510
   0.37334316  0.39138607  0.75375238
   0.14547892  0.70213485 -0.00711340
   0.39524301  0.58844129  0.36193526
   0.05991145  0.90922345  0.14906028
   0.34235203  0.84965400  0.24721157
   0.17282664  0.65532998  0.50692778
   0.38814114  0.65874145  0.85272418
   0.04944302  0.91385200  0.62730588
   0.32329959  1.00197999  0.69609316
   0.64067714  0.15245405  1.01695343
   0.84565312  0.13911518  0.34961566
   0.60879700  0.43243208  0.12354514
   0.87600745  0.34259699  0.16729768
   0.61999041  0.18214012  0.50276656
   0.88772193  0.10887526  0.87621419
   0.58890426  0.46310371  0.63199623
   0.77184721  0.37231111  0.80337221
   0.61486927  0.67491543 -0.00990831
   0.91868785  0.59032650  0.37385264
   0.56992707  0.91438865  0.13043715
   0.80694217  0.84695262  0.27217315
   0.65994361  0.61680622  0.45751455
   0.87665173  0.61999990  0.88693061
   0.60567862  0.93537481  0.63095745
   0.81267853  0.86015738  0.75903861
   0.07804869  0.06940843  0.15362257
   0.35876424  0.19184235  0.28121650
   0.11167582  0.30102875  0.01667830
   0.31867271  0.44513965  0.33423505
   0.51285108  0.39129997  0.21218861
   0.28717595  0.35306933  0.14803494
   0.24211746  0.07419224  0.43609043
   0.00996228  0.15579225  0.38682785
   0.01154777  0.04026153  0.55665175
   0.48706838  0.25803874  0.77661613
   0.11209999  0.27787571  0.53008168
   0.35466204  0.50005184  0.83918985
   0.43681702  0.47797945  0.67157208
   0.21940171  0.35670720  0.72010102
   0.31100623  0.23213221 -0.08962170
   0.05700863  0.12730126  0.88907243
   0.17294275  0.56768585  0.06789145
   0.40871170  0.69164804  0.26925610
   0.08557863  0.84536776  0.04281842
   0.40485128  0.93406725  0.33665273
   0.41485546  0.89592269  0.14843093
   0.18438396  0.85625122  0.21817975
   0.32783218  0.65156871  0.45461976
   0.06922459  0.64611912  0.41164304
   0.17759523  0.51667185  0.56920237
   0.36830229  0.74480339  0.75808628
   0.12275995  0.79068656  0.56419974
   0.38098689  1.01350823  0.80634252
   0.43915402  0.93410004  0.62668955
   0.17993611  0.93015292  0.69806613
   0.28712184  0.71956457 -0.06058593
   0.02173493  0.66096938  0.92298354
   0.60201456  0.07233170  0.11377748
   0.84694649  0.22732674  0.25062854
   0.61485950  0.31495857  0.03865486
   0.96221169  0.43946639  0.34613673
   0.01887262  0.41928195  0.16883308
   0.75405141  0.46133507  0.16645461
   0.74853082  0.20175678  0.42888175
   0.49312795  0.11658935  0.45078804
   0.67472707  0.04815514  0.56932346
   0.82717176  0.21145029  0.79188028
   0.57550570  0.31031628  0.57118384
   0.89216756  0.45964461  0.85297549
   0.96814794  0.42702884  0.66077177
   0.70959699  0.44096750  0.70507444
   0.79995305  0.11624324  0.97255502
   0.55542237  0.09518991  0.92216206
   0.55513927  0.56636776  0.06526831
   0.83056691  0.69632748  0.30309837
   0.60791654  0.83165169  0.03044095
   0.80497169  0.97885103  0.34573965
   0.91799125  0.85505252  0.18766759
   0.65603498  0.86127812  0.22098926
   0.81920764  0.56197172  0.45991087
   0.55068871  0.55578258  0.39188317
   0.61359496  0.59748801  0.57544192
   0.78361049  0.70796929  0.80175531
   0.64710485  0.78607588  0.42317907
   0.89069786  0.94014704  0.84303946
   0.91368620  0.84767902  0.66859295
   0.66517977  0.93454451  0.74077021
   0.77126287  0.61707706  0.97296685
   0.54306316  0.66848189  0.88801543
   0.67048558  0.81734040  0.58227738
   0.65359253  0.86127988  0.46977988
   0.85260011  0.26957470  0.07601229
   1.02461263  0.40612634  0.30721044
   0.29842766  0.14829699  0.67624129
   0.29481895  0.73503172  0.71660740
   0.02923027  1.14012241  0.10737962
   0.23603510  1.03330159  0.00394805
   0.64674057  0.38197318  0.87009420
   0.93244863  0.50265486  0.61905495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917605    0.580354   -0.125529
    -0.000000    9.797875   -0.053654
    -0.000000    0.000000   14.023675
   Si   O    H 
    32    64    10
Direct configuration=  1412
   0.18023917  0.16077718 -0.03919485
   0.37438273  0.08325857  0.37534496
   0.15258368  0.41113789  0.10194952
   0.37369186  0.34160386  0.24366659
   0.09679327  0.12873045  0.48369216
   0.43727118  0.14569839  0.85379416
   0.12592854  0.37947816  0.61922877
   0.37335031  0.39217459  0.75426195
   0.14503003  0.70175985 -0.00655606
   0.39556119  0.58885508  0.36137380
   0.05914562  0.90881165  0.14935874
   0.34212655  0.84760995  0.24648606
   0.17134080  0.65710920  0.50805543
   0.38999981  0.65689051  0.85315117
   0.04825889  0.91546548  0.62741881
   0.32344671  1.00182796  0.69745918
   0.64087250  0.15068383  1.01682535
   0.84605311  0.13939004  0.34870372
   0.60856963  0.43354393  0.12427721
   0.87672586  0.34132553  0.16705374
   0.61958219  0.18126852  0.50301356
   0.88719788  0.10795390  0.87614217
   0.58704944  0.46337910  0.63148723
   0.77230901  0.37244208  0.80279417
   0.61471524  0.67339725 -0.01095984
   0.91842092  0.59138136  0.37369141
   0.57086943  0.91483117  0.12941506
   0.80742211  0.84705987  0.27267294
   0.66150879  0.61767014  0.45843996
   0.87567884  0.62043476  0.88738368
   0.60655323  0.93488494  0.63041511
   0.81195216  0.86182658  0.75902735
   0.07803296  0.07045096  0.15283879
   0.36001412  0.19208174  0.28238424
   0.11314075  0.30087945  0.01601959
   0.31828323  0.44533340  0.33556781
   0.51104963  0.39115699  0.21152818
   0.28731698  0.35212506  0.14874339
   0.24079643  0.07389422  0.43710893
   0.00784196  0.15418821  0.38609393
   0.01264435  0.04004933  0.55576431
   0.48660109  0.25764108  0.77769265
   0.11367237  0.27555107  0.53139760
   0.35466827  0.50043327  0.83919351
   0.43734438  0.48012556  0.67222905
   0.21846118  0.35683805  0.72012882
   0.30936295  0.23240491 -0.09002699
   0.05635632  0.12768819  0.88844718
   0.17413651  0.56917169  0.06838518
   0.40893746  0.69372426  0.26950185
   0.08578971  0.84420039  0.04235635
   0.40451732  0.93307445  0.33565160
   0.41380024  0.89739431  0.14875211
   0.18360324  0.85748157  0.21756975
   0.32693338  0.65135445  0.45468974
   0.06914451  0.64460898  0.41206948
   0.17848855  0.51676850  0.56885626
   0.36893288  0.74574021  0.75716190
   0.12154202  0.78993297  0.56427501
   0.38063536  1.01406007  0.80596506
   0.44060251  0.93446930  0.62666361
   0.17868461  0.93036266  0.69843793
   0.28665200  0.71953402 -0.06147452
   0.02077044  0.66372317  0.92339549
   0.60228200  0.07226266  0.11443146
   0.84714337  0.22763874  0.25052636
   0.61406748  0.31354939  0.03872720
   0.96058152  0.43959131  0.34612613
   0.02010028  0.42005416  0.16834592
   0.75566928  0.46165218  0.16581574
   0.74725229  0.20232728  0.42869731
   0.49482667  0.11763237  0.45098401
   0.67515111  0.04827718  0.57006409
   0.82752980  0.21024533  0.79225511
   0.57427837  0.31031299  0.57119493
   0.89413520  0.45913898  0.85315014
   0.96942258  0.42593702  0.66034979
   0.71176913  0.44101731  0.70521170
   0.80037082  0.11665393  0.97419050
   0.55649824  0.09456825  0.92311484
   0.55744889  0.56681933  0.06524347
   0.83190802  0.69642198  0.30260154
   0.60795048  0.83176058  0.02946085
   0.80518981  0.97967291  0.34656853
   0.91833303  0.85439996  0.18718518
   0.65661257  0.86097190  0.22048072
   0.81814658  0.56267478  0.45948615
   0.55176467  0.55586807  0.39326805
   0.61225269  0.59824905  0.57556660
   0.78403619  0.70669344  0.80195819
   0.64618130  0.78519222  0.42299141
   0.89026496  0.94193230  0.84307114
   0.91428226  0.84802938  0.66898678
   0.66457428  0.93702397  0.74046645
   0.76962573  0.61741810  0.97359864
   0.54311906  0.67076400  0.88889329
   0.67186932  0.81038586  0.58013192
   0.65753053  0.86128466  0.46749253
   0.85057032  0.27247399  0.07579118
   1.04062560  0.39806411  0.29981013
   0.30271473  0.15126881  0.67540827
   0.30285732  0.73217827  0.71698424
   0.02869871  1.13551759  0.11419840
   0.23622991  1.02984134  0.00693052
   0.64667191  0.38129480  0.87345096
   0.92973848  0.49748565  0.62162463
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916690    0.580711   -0.126748
    -0.000000    9.799654   -0.052603
    -0.000000    0.000000   14.022146
   Si   O    H 
    32    64    10
Direct configuration=  1413
   0.17954680  0.16116415 -0.03866598
   0.37400699  0.08341030  0.37494933
   0.15282321  0.41059302  0.10139769
   0.37350982  0.34146820  0.24381148
   0.09680667  0.12894468  0.48306170
   0.43823129  0.14380318  0.85347509
   0.12597487  0.38060672  0.61972994
   0.37301095  0.39178549  0.75472407
   0.14480076  0.70098614 -0.00642232
   0.39527917  0.58873852  0.36058616
   0.05891643  0.90754572  0.14927757
   0.34322055  0.84560660  0.24583625
   0.16960814  0.65812924  0.50904434
   0.39119566  0.65552331  0.85346866
   0.04676202  0.91672965  0.62768017
   0.32383297  1.00207838  0.69881206
   0.64099246  0.14936217  1.01685468
   0.84626345  0.13923261  0.34800660
   0.60849182  0.43397149  0.12525552
   0.87713235  0.33997190  0.16661225
   0.61986438  0.18025273  0.50334259
   0.88659715  0.10716540  0.87612316
   0.58523941  0.46330910  0.63105172
   0.77237192  0.37233609  0.80258396
   0.61483378  0.67167455 -0.01152989
   0.91818543  0.59310090  0.37370300
   0.57168589  0.91458643  0.12839166
   0.80731864  0.84758871  0.27292830
   0.66230947  0.61875861  0.45939104
   0.87447784  0.62096990  0.88806490
   0.60749021  0.93452743  0.62981210
   0.81135430  0.86304429  0.75893800
   0.07822163  0.07206637  0.15219547
   0.36197000  0.19180534  0.28357258
   0.11408092  0.30155941  0.01638433
   0.31873343  0.44508538  0.33646144
   0.51052323  0.39158121  0.21071488
   0.28666333  0.35108146  0.14939190
   0.23986972  0.07346953  0.43844749
   0.00524515  0.15239643  0.38539565
   0.01357220  0.04074390  0.55510916
   0.48554633  0.25747501  0.77879606
   0.11596079  0.27369549  0.53271839
   0.35398732  0.50021195  0.83941110
   0.43808856  0.48190571  0.67349669
   0.21786614  0.35733605  0.72010060
   0.30817055  0.23179244 -0.09067082
   0.05478339  0.12772947  0.88785175
   0.17538824  0.57059330  0.06941016
   0.40906872  0.69614669  0.27065921
   0.08547811  0.84374934  0.04214794
   0.40429536  0.93147787  0.33483883
   0.41359992  0.89958511  0.14880991
   0.18337982  0.85865016  0.21758202
   0.32520475  0.65157683  0.45498979
   0.06810138  0.64333239  0.41242884
   0.17845568  0.51643063  0.56892187
   0.37133225  0.74676209  0.75616152
   0.12074644  0.78948854  0.56349540
   0.38038829  1.01371844  0.80558923
   0.44262180  0.93464864  0.62695190
   0.17787004  0.93105158  0.69831581
   0.28612878  0.72002470 -0.06276481
   0.02044149  0.66585430  0.92397671
   0.60300957  0.07283603  0.11475670
   0.84797342  0.22755447  0.24975215
   0.61358544  0.31242507  0.03877606
   0.95953835  0.43836648  0.34539555
   0.02115028  0.42038351  0.16812272
   0.75719413  0.46164989  0.16508054
   0.74552283  0.20344714  0.42870641
   0.49676205  0.11931197  0.45110850
   0.67573358  0.04863935  0.57096150
   0.82714132  0.20957784  0.79240996
   0.57324420  0.31047610  0.57129920
   0.89615199  0.45910101  0.85332343
   0.97111791  0.42438003  0.65992931
   0.71343023  0.44085444  0.70519315
   0.80046341  0.11714815  0.97605882
   0.55760365  0.09351334  0.92407882
   0.55960696  0.56657861  0.06494955
   0.83228669  0.69584000  0.30260421
   0.60759075  0.83027215  0.02881731
   0.80597761  0.98103080  0.34727980
   0.91887117  0.85311098  0.18638082
   0.65785258  0.85970213  0.22015105
   0.81673257  0.56433552  0.45939343
   0.55327066  0.55563086  0.39444940
   0.61209669  0.59892032  0.57544306
   0.78470134  0.70628420  0.80236306
   0.64515778  0.78375642  0.42288681
   0.88983503  0.94418734  0.84304305
   0.91556000  0.84722513  0.66958722
   0.66313938  0.94025536  0.74045677
   0.76807184  0.61859565  0.97454429
   0.54353079  0.67303862  0.88893684
   0.66917483  0.80885395  0.58154166
   0.66319500  0.86140304  0.46554070
   0.85015499  0.27267500  0.07446405
   1.04605483  0.39710910  0.29758783
   0.30322900  0.14872873  0.67342724
   0.29248525  0.72859121  0.70866570
   0.02447031  1.13736324  0.11847579
   0.23228443  1.02987465  0.01029365
   0.65642574  0.38066410  0.87594800
   0.92305711  0.49602455  0.62245288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915550    0.580930   -0.127672
    -0.000000    9.801511   -0.051265
    -0.000000    0.000000   14.020829
   Si   O    H 
    32    64    10
Direct configuration=  1414
   0.17863433  0.16141356 -0.03819611
   0.37403090  0.08355018  0.37397375
   0.15300809  0.41053820  0.10093071
   0.37267164  0.34104424  0.24417335
   0.09640387  0.12920711  0.48256808
   0.43904390  0.14269968  0.85294862
   0.12576595  0.38192173  0.62092317
   0.37241740  0.39136772  0.75538133
   0.14451125  0.69989066 -0.00657065
   0.39513328  0.58815697  0.36019168
   0.05957242  0.90597434  0.14920250
   0.34463197  0.84420869  0.24539109
   0.16846024  0.65896333  0.50957036
   0.39212377  0.65480726  0.85354831
   0.04569586  0.91763592  0.62799500
   0.32425184  1.00248286  0.69975289
   0.64158420  0.14797745  1.01674424
   0.84675006  0.13874582  0.34718479
   0.60832800  0.43470732  0.12575274
   0.87692167  0.33904077  0.16609760
   0.62043104  0.17969826  0.50437406
   0.88695086  0.10529674  0.87618808
   0.58421224  0.46248824  0.63054419
   0.77195396  0.37236466  0.80301329
   0.61571370  0.67005481 -0.01148853
   0.91857733  0.59456491  0.37370148
   0.57276207  0.91416107  0.12728275
   0.80680994  0.84923429  0.27309619
   0.66314385  0.62048041  0.46077979
   0.87264430  0.62133393  0.88872991
   0.60812757  0.93402519  0.62909378
   0.81018325  0.86434466  0.75883004
   0.07838911  0.07347779  0.15212158
   0.36339298  0.19035402  0.28504953
   0.11591925  0.30116807  0.01717187
   0.31924867  0.44469628  0.33654751
   0.51072959  0.39145467  0.20990019
   0.28645350  0.35000371  0.14957704
   0.23947872  0.07290278  0.44039845
   0.00151204  0.15052178  0.38453502
   0.01407478  0.04210523  0.55421606
   0.48404883  0.25773616  0.77914228
   0.11815516  0.27157215  0.53394099
   0.35319899  0.50085650  0.84044923
   0.43859381  0.48413980  0.67378117
   0.21699997  0.35692088  0.72003219
   0.30681020  0.23066445 -0.09196597
   0.05230864  0.12735133  0.88721108
   0.17607004  0.57252472  0.07046377
   0.40874478  0.69853883  0.27121019
   0.08499259  0.84382347  0.04222185
   0.40456164  0.93094148  0.33416833
   0.41376975  0.90162651  0.14881287
   0.18235953  0.85911392  0.21855210
   0.32394720  0.65151159  0.45567322
   0.06626534  0.64198390  0.41295428
   0.17810045  0.51625521  0.56919097
   0.37345307  0.74691261  0.75515899
   0.12008782  0.78938370  0.56371132
   0.38038059  1.01304176  0.80527144
   0.44512205  0.93428491  0.62702971
   0.17767720  0.93235052  0.69846172
   0.28525157  0.72104630 -0.06372081
   0.01971787  0.66847943  0.92448037
   0.60360021  0.07359877  0.11519165
   0.84852560  0.22668828  0.24914855
   0.61244166  0.31049989  0.03890219
   0.95931851  0.43606235  0.34403487
   0.02195539  0.42001772  0.16804233
   0.75870570  0.46154744  0.16463011
   0.74447697  0.20441555  0.42884095
   0.49746799  0.12070234  0.45102746
   0.67592036  0.04958012  0.57147844
   0.82686880  0.20897269  0.79202993
   0.57255517  0.31019395  0.57135636
   0.89745439  0.45919855  0.85362967
   0.97250887  0.42266101  0.65946126
   0.71485368  0.44095202  0.70523771
   0.80055598  0.11781926  0.97802732
   0.55816873  0.09240132  0.92517502
   0.56062935  0.56681525  0.06486797
   0.83370335  0.69483077  0.30226886
   0.60744263  0.82949345  0.02815886
   0.80647839  0.98123032  0.34774078
   0.91935645  0.85163033  0.18517266
   0.65950759  0.85807778  0.22041449
   0.81569554  0.56472320  0.46000896
   0.55412068  0.55495836  0.39495940
   0.61191784  0.60049041  0.57484536
   0.78570234  0.70575917  0.80283242
   0.64503323  0.78312524  0.42300691
   0.88903826  0.94647037  0.84328201
   0.91675024  0.84664255  0.67048139
   0.66244280  0.94355673  0.74043208
   0.76737220  0.61926276  0.97478533
   0.54364329  0.67464279  0.88830833
   0.66413884  0.80930366  0.58530934
   0.67009098  0.85958020  0.46355943
   0.85503520  0.26964065  0.07574068
   1.03785364  0.40426509  0.30186928
   0.30542573  0.14591483  0.67304051
   0.29331673  0.72039272  0.70768434
   0.00893122  1.14936454  0.12013258
   0.22633950  1.03275918  0.01391647
   0.66626476  0.37987052  0.87523709
   0.91850524  0.49101101  0.62295445
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914259    0.581402   -0.128184
    -0.000000    9.803322   -0.050475
    -0.000000    0.000000   14.019129
   Si   O    H 
    32    64    10
Direct configuration=  1415
   0.17794299  0.16139067 -0.03803537
   0.37395714  0.08326197  0.37348771
   0.15296413  0.41115926  0.10013916
   0.37158514  0.34052941  0.24451446
   0.09588499  0.12992016  0.48193020
   0.43951567  0.14193173  0.85266154
   0.12520332  0.38311127  0.62198233
   0.37181662  0.38980429  0.75538733
   0.14432875  0.69918763 -0.00676645
   0.39528122  0.58707427  0.36029795
   0.06041894  0.90554488  0.14893587
   0.34601320  0.84348320  0.24504360
   0.16750954  0.65972891  0.50952243
   0.39278985  0.65388644  0.85367748
   0.04522254  0.91798822  0.62832915
   0.32449868  1.00217340  0.70006974
   0.64167253  0.14713384  1.01639149
   0.84714052  0.13894950  0.34691417
   0.60859033  0.43435542  0.12638235
   0.87689412  0.33860798  0.16575821
   0.62138231  0.17840069  0.50483629
   0.88792985  0.10289343  0.87632625
   0.58376160  0.46116574  0.62985307
   0.77140294  0.37298669  0.80334319
   0.61666848  0.66902668 -0.01111995
   0.91969996  0.59530922  0.37393725
   0.57345568  0.91378230  0.12640612
   0.80656682  0.85108112  0.27310515
   0.66320835  0.62312480  0.46197008
   0.87099270  0.62148343  0.88945739
   0.60843851  0.93392360  0.62888790
   0.80870202  0.86492194  0.75955382
   0.07764330  0.07578538  0.15203674
   0.36467630  0.18917800  0.28579906
   0.11693076  0.30079555  0.01810426
   0.32039420  0.44452199  0.33666186
   0.51075856  0.39073770  0.20877980
   0.28639734  0.34997606  0.14911194
   0.23966752  0.07225624  0.44202606
  -0.00226140  0.14865183  0.38408376
   0.01439841  0.04308083  0.55400037
   0.48183257  0.25897094  0.77937170
   0.11949612  0.26972425  0.53549426
   0.35251982  0.50071632  0.84195375
   0.43896776  0.48608012  0.67423885
   0.21647195  0.35664303  0.71978781
   0.30540704  0.22908313 -0.09273456
   0.05000010  0.12764263  0.88673677
   0.17664830  0.57434454  0.07156242
   0.40790521  0.70010598  0.27179353
   0.08459304  0.84353176  0.04259651
   0.40575752  0.92933032  0.33383851
   0.41418535  0.90294451  0.14846792
   0.18166192  0.85888871  0.21948809
   0.32259510  0.65142090  0.45629363
   0.06390186  0.64029265  0.41356716
   0.17817303  0.51618422  0.56910664
   0.37393807  0.74771167  0.75381121
   0.11971383  0.79009259  0.56327988
   0.38066858  1.01215597  0.80494870
   0.44720184  0.93368379  0.62725435
   0.17665438  0.93366622  0.69908192
   0.28489100  0.72161007 -0.06431098
   0.01893739  0.67148911  0.92442826
   0.60445650  0.07464294  0.11591111
   0.84892465  0.22653115  0.24852528
   0.61095473  0.30924008  0.03920794
   0.95969370  0.43328876  0.34251073
   0.02217361  0.41975252  0.16781931
   0.75980446  0.46108352  0.16511303
   0.74404679  0.20540100  0.42908065
   0.49760434  0.12099290  0.45033881
   0.67658322  0.05046396  0.57193241
   0.82674991  0.20781064  0.79118799
   0.57205496  0.31047374  0.57088655
   0.89875964  0.45937222  0.85416311
   0.97405275  0.42044998  0.65836777
   0.71593687  0.44089952  0.70493905
   0.80096606  0.11866757  0.97965031
   0.55832656  0.09134465  0.92643217
   0.56171260  0.56577169  0.06464917
   0.83462644  0.69314853  0.30248083
   0.60811896  0.82917794  0.02752950
   0.80706907  0.98105761  0.34789275
   0.91934936  0.85076556  0.18430075
   0.65990291  0.85651566  0.22068092
   0.81497392  0.56380901  0.46008271
   0.55475280  0.55436764  0.39527278
   0.61196522  0.60309270  0.57392951
   0.78675302  0.70596346  0.80302449
   0.64542934  0.78200101  0.42272873
   0.88851728  0.94908805  0.84300729
   0.91731920  0.84674736  0.67058006
   0.66194856  0.94626623  0.74016932
   0.76646294  0.61996830  0.97478361
   0.54441589  0.67566761  0.88746147
   0.66053583  0.80487422  0.58878058
   0.68035654  0.85465014  0.46075153
   0.86148661  0.26434508  0.07732488
   1.02574603  0.41320968  0.30858089
   0.30690366  0.14429575  0.66973976
   0.30259689  0.71580705  0.71235234
   0.00586433  1.14840925  0.12539234
   0.22301568  1.03804616  0.01884446
   0.67580583  0.37746016  0.87306127
   0.91202826  0.48381875  0.62122984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912895    0.581679   -0.128680
    -0.000000    9.805298   -0.049612
    -0.000000    0.000000   14.017226
   Si   O    H 
    32    64    10
Direct configuration=  1416
   0.17733272  0.16108757 -0.03794848
   0.37406672  0.08339178  0.37349446
   0.15331928  0.41259240  0.09942923
   0.37061278  0.34031372  0.24494002
   0.09540817  0.13075148  0.48099203
   0.43976226  0.14122529  0.85241230
   0.12385913  0.38431236  0.62299158
   0.37082719  0.38841220  0.75550506
   0.14307240  0.69888178 -0.00691454
   0.39540544  0.58649245  0.36034084
   0.06194658  0.90493019  0.14866873
   0.34675854  0.84322593  0.24484581
   0.16655552  0.66043181  0.50884793
   0.39316267  0.65330836  0.85404989
   0.04529931  0.91829077  0.62842603
   0.32445237  1.00155202  0.70038492
   0.64266774  0.14639886  1.01597407
   0.84720813  0.13966840  0.34700072
   0.60821820  0.43323246  0.12636339
   0.87670022  0.33899976  0.16561225
   0.62207422  0.17704327  0.50511056
   0.88865734  0.10099950  0.87636835
   0.58347792  0.45893054  0.62935534
   0.77119601  0.37309544  0.80377406
   0.61751697  0.66919328 -0.01083073
   0.92054860  0.59498549  0.37424941
   0.57419055  0.91379684  0.12534206
   0.80594113  0.85254910  0.27301404
   0.66286544  0.62515670  0.46293337
   0.86968165  0.62223164  0.89000195
   0.60882885  0.93339080  0.62882104
   0.80714588  0.86484998  0.76027514
   0.07576645  0.07882284  0.15211698
   0.36643632  0.18761738  0.28653547
   0.11816460  0.30012772  0.01907233
   0.32203049  0.44417950  0.33645852
   0.51043875  0.38995564  0.20802270
   0.28591488  0.34953975  0.14844363
   0.24041236  0.07187348  0.44334089
  -0.00562316  0.14711298  0.38383393
   0.01327851  0.04326856  0.55408829
   0.47962499  0.26046432  0.77941765
   0.12143237  0.26870312  0.53614183
   0.35246537  0.49964869  0.84307075
   0.44009550  0.48803726  0.67483782
   0.21667099  0.35604757  0.71981654
   0.30444558  0.22753092 -0.09319978
   0.04836399  0.12839063  0.88646827
   0.17665112  0.57535046  0.07237091
   0.40703863  0.70008608  0.27284252
   0.08482779  0.84371540  0.04341414
   0.40690149  0.92753408  0.33302547
   0.41310136  0.90383738  0.14783728
   0.18139010  0.85857182  0.22040191
   0.32129499  0.65159397  0.45691881
   0.06193804  0.63849825  0.41433386
   0.17842305  0.51647734  0.56902207
   0.37464371  0.74794795  0.75352750
   0.11963791  0.79186967  0.56309656
   0.38164233  1.01178727  0.80473796
   0.44895024  0.93314441  0.62709996
   0.17501028  0.93518625  0.69882920
   0.28437323  0.72132646 -0.06548048
   0.01834441  0.67427621  0.92415248
   0.60494248  0.07498270  0.11681405
   0.84973709  0.22571663  0.24810900
   0.60947444  0.30726630  0.03981562
   0.95851303  0.43205255  0.34197024
   0.02283907  0.41915298  0.16770379
   0.76110264  0.46033512  0.16615776
   0.74372622  0.20606623  0.42893424
   0.49672770  0.12139049  0.44927465
   0.67749176  0.05249886  0.57218656
   0.82580132  0.20641692  0.79099075
   0.57137539  0.31073361  0.57075603
   0.89941596  0.46028645  0.85439215
   0.97517865  0.41842574  0.65780069
   0.71671127  0.44082390  0.70411120
   0.80215888  0.11907877  0.98129983
   0.55787949  0.09022983  0.92734580
   0.56242409  0.56540269  0.06447282
   0.83543429  0.69156143  0.30279828
   0.60884813  0.83036627  0.02717152
   0.80779361  0.97958314  0.34819866
   0.91927397  0.84982024  0.18381811
   0.65944352  0.85592729  0.22103872
   0.81528886  0.56344980  0.46037942
   0.55417269  0.55306387  0.39523339
   0.61174940  0.60546056  0.57325707
   0.78815625  0.70691538  0.80294448
   0.64605675  0.78107533  0.42209995
   0.88831901  0.95118041  0.84247951
   0.91744103  0.84606979  0.67082691
   0.66074359  0.94840084  0.73987192
   0.76608118  0.62039161  0.97540644
   0.54583989  0.67714442  0.88650432
   0.66037147  0.80150378  0.59415310
   0.69105513  0.85046125  0.46001541
   0.87181414  0.25751468  0.07792826
   1.04639957  0.41314636  0.29990897
   0.30923635  0.14408380  0.66589587
   0.31119125  0.71036852  0.71789404
   0.01242082  1.14004149  0.13129005
   0.22104448  1.04707642  0.02138506
   0.67647166  0.37647212  0.87377535
   0.90969791  0.47275326  0.62077513
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911883    0.581728   -0.129319
    -0.000000    9.807061   -0.049191
    -0.000000    0.000000   14.015360
   Si   O    H 
    32    64    10
Direct configuration=  1417
   0.17664749  0.16104734 -0.03740842
   0.37417641  0.08350161  0.37363797
   0.15396305  0.41373047  0.09856068
   0.37001539  0.33970753  0.24549512
   0.09416164  0.13175447  0.47997959
   0.43980734  0.14120137  0.85231969
   0.12304636  0.38564167  0.62373116
   0.36971015  0.38745273  0.75606969
   0.14191002  0.69930536 -0.00692393
   0.39606926  0.58649135  0.36075461
   0.06356238  0.90492635  0.14840903
   0.34687198  0.84343446  0.24459998
   0.16613648  0.66063858  0.50781800
   0.39417632  0.65328645  0.85468300
   0.04484599  0.91875193  0.62835717
   0.32424734  1.00102371  0.70010726
   0.64331758  0.14578834  1.01588908
   0.84761995  0.14031750  0.34704703
   0.60786240  0.43187636  0.12605421
   0.87640020  0.33964927  0.16554255
   0.62228214  0.17642437  0.50529173
   0.88925496  0.09986423  0.87645303
   0.58359428  0.45668129  0.62862571
   0.77167219  0.37315737  0.80406125
   0.61773023  0.66956392 -0.01056277
   0.92113219  0.59410391  0.37450157
   0.57427015  0.91342867  0.12413607
   0.80553286  0.85335218  0.27270447
   0.66214805  0.62686665  0.46382873
   0.86846802  0.62257486  0.89006006
   0.60934579  0.93289951  0.62881562
   0.80565341  0.86470863  0.76061524
   0.07474204  0.08058080  0.15238769
   0.36726470  0.18608840  0.28676338
   0.11911338  0.29979631  0.02064160
   0.32410736  0.44410398  0.33576126
   0.51071184  0.38911078  0.20737807
   0.28527992  0.34927691  0.14845187
   0.24081204  0.07117612  0.44393162
  -0.00754664  0.14663049  0.38366680
   0.01166308  0.04364673  0.55468544
   0.47732051  0.26150845  0.77956012
   0.12299270  0.26791747  0.53692719
   0.35301077  0.49927404  0.84372856
   0.44164200  0.48933335  0.67544161
   0.21695901  0.35543000  0.71982989
   0.30436157  0.22553451 -0.09354142
   0.04731622  0.12867745  0.88619697
   0.17588092  0.57587265  0.07262856
   0.40618481  0.69983422  0.27356874
   0.08538306  0.84416749  0.04422879
   0.40851247  0.92664658  0.33235566
   0.41223335  0.90384895  0.14717953
   0.18119041  0.85800423  0.22108864
   0.31921363  0.65211490  0.45725845
   0.06088342  0.63794665  0.41546248
   0.17812199  0.51719065  0.56862463
   0.37590599  0.74795587  0.75395460
   0.11891551  0.79387832  0.56277391
   0.38207793  1.01149911  0.80508960
   0.45022291  0.93261459  0.62699552
   0.17403673  0.93716082  0.69835757
   0.28395625  0.72100622 -0.06644462
   0.01662614  0.67671778  0.92339221
   0.60522152  0.07543461  0.11693793
   0.85130032  0.22430185  0.24717428
   0.60806423  0.30586569  0.04067492
   0.95830790  0.43033286  0.34094633
   0.02246349  0.41861472  0.16755974
   0.76209679  0.45945206  0.16735197
   0.74340376  0.20747023  0.42870524
   0.49510371  0.12122642  0.44828384
   0.67843204  0.05402794  0.57213080
   0.82451293  0.20523621  0.79093133
   0.57156695  0.31010071  0.57075459
   0.89911018  0.46095358  0.85445330
   0.97486180  0.41645903  0.65724096
   0.71667015  0.44076299  0.70338327
   0.80277615  0.11956604  0.98236395
   0.55735858  0.08909384  0.92825340
   0.56278505  0.56554408  0.06385682
   0.83595324  0.69091806  0.30303620
   0.60943964  0.83178661  0.02665818
   0.80851432  0.97853012  0.34802378
   0.91958335  0.84920152  0.18371119
   0.65827727  0.85466674  0.22139203
   0.81604980  0.56221714  0.46046329
   0.55410720  0.55045694  0.39523817
   0.61182176  0.60719563  0.57254592
   0.79059865  0.70819979  0.80250299
   0.64650351  0.78023520  0.42196518
   0.88833547  0.95296215  0.84169178
   0.91761664  0.84469243  0.67168172
   0.66002509  0.94920847  0.73990303
   0.76635552  0.62103168  0.97542162
   0.54689984  0.67822155  0.88586097
   0.66258588  0.80027472  0.59899736
   0.69367154  0.84270847  0.45762055
   0.88147010  0.24767739  0.07844247
   1.05353484  0.41779781  0.29346279
   0.31053494  0.14403714  0.66122593
   0.30576288  0.70109359  0.71339651
   0.00458396  1.14381119  0.13132916
   0.21888156  1.05261295  0.02481632
   0.67052131  0.37477100  0.87625865
   0.90465401  0.46182896  0.61908767
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910864    0.581378   -0.129651
    -0.000000    9.808884   -0.048586
    -0.000000    0.000000   14.013697
   Si   O    H 
    32    64    10
Direct configuration=  1418
   0.17606682  0.16166437 -0.03693577
   0.37421457  0.08298930  0.37385779
   0.15396386  0.41473494  0.09774783
   0.37021104  0.33920533  0.24638878
   0.09312414  0.13275431  0.47850188
   0.43892610  0.14090618  0.85261077
   0.12217087  0.38581213  0.62420395
   0.36804665  0.38717665  0.75662388
   0.14085251  0.69994526 -0.00695807
   0.39697455  0.58694924  0.36120691
   0.06556544  0.90478532  0.14822158
   0.34769218  0.84411210  0.24433855
   0.16596457  0.66026190  0.50685977
   0.39453968  0.65326883  0.85544277
   0.04489184  0.91912587  0.62803055
   0.32453396  1.00011688  0.69914576
   0.64382376  0.14502010  1.01582259
   0.84773295  0.14134825  0.34708203
   0.60770711  0.43017314  0.12539524
   0.87748167  0.34013223  0.16564255
   0.62183799  0.17578563  0.50532029
   0.89021146  0.09933022  0.87657447
   0.58349756  0.45464166  0.62779889
   0.77277053  0.37211556  0.80415825
   0.61803653  0.67054111 -0.01001666
   0.92134908  0.59250284  0.37472172
   0.57428014  0.91341480  0.12314664
   0.80506687  0.85287220  0.27233763
   0.66121324  0.62803535  0.46449700
   0.86777139  0.62279784  0.88997475
   0.60940115  0.93206671  0.62874489
   0.80423171  0.86431879  0.76075545
   0.07471205  0.08179816  0.15308659
   0.36710371  0.18466776  0.28687588
   0.11934987  0.29847721  0.02214332
   0.32622543  0.44404231  0.33570198
   0.51041363  0.38828237  0.20707950
   0.28481652  0.34893486  0.14891953
   0.24107472  0.07027522  0.44525860
  -0.00858498  0.14592732  0.38375376
   0.00939276  0.04376224  0.55518033
   0.47518233  0.26249478  0.77997003
   0.12441285  0.26750742  0.53785297
   0.35350857  0.49886236  0.84397954
   0.44246864  0.48975095  0.67629267
   0.21748188  0.35450422  0.71951217
   0.30495546  0.22318685 -0.09336607
   0.04745357  0.12897169  0.88592707
   0.17500103  0.57646914  0.07234503
   0.40506901  0.69761946  0.27399630
   0.08534151  0.84469385  0.04421095
   0.41053261  0.92656058  0.33198470
   0.41181469  0.90411850  0.14618992
   0.18209462  0.85797231  0.22222826
   0.31588188  0.65307721  0.45770305
   0.06081368  0.63820982  0.41651332
   0.17860567  0.51797624  0.56853259
   0.37627807  0.74668907  0.75418311
   0.11928727  0.79600968  0.56262939
   0.38184606  1.01104300  0.80568040
   0.45080258  0.93239023  0.62617308
   0.17361164  0.93959885  0.69829214
   0.28324469  0.72113976 -0.06730239
   0.01505860  0.67968103  0.92258865
   0.60524415  0.07562771  0.11676727
   0.85292579  0.22284414  0.24646571
   0.60732364  0.30491211  0.04227606
   0.95821703  0.42874479  0.34023207
   0.02245933  0.41685418  0.16692547
   0.76246706  0.45811298  0.16849499
   0.74365663  0.20894622  0.42815529
   0.49405110  0.12045215  0.44666922
   0.67933220  0.05449704  0.57272138
   0.82290863  0.20429415  0.79096515
   0.57218867  0.30974781  0.57090984
   0.89854652  0.46178529  0.85478043
   0.97443266  0.41373525  0.65685726
   0.71756205  0.43988500  0.70250468
   0.80346512  0.11983393  0.98314557
   0.55602270  0.08765536  0.92843155
   0.56315529  0.56528742  0.06370224
   0.83673974  0.69070734  0.30325067
   0.61012524  0.83244660  0.02621372
   0.80832046  0.97771603  0.34735935
   0.91969455  0.84930116  0.18399873
   0.65733079  0.85286795  0.22164964
   0.81751291  0.56115124  0.46025348
   0.55403512  0.54839386  0.39529927
   0.61205394  0.60805919  0.57205108
   0.79330757  0.71004720  0.80209135
   0.64679194  0.77953285  0.42145226
   0.88817601  0.95283472  0.84003739
   0.91753964  0.84298353  0.67246693
   0.65945176  0.94989639  0.73972667
   0.76712526  0.62167251  0.97570863
   0.54840963  0.67909004  0.88475448
   0.66397303  0.79989493  0.60334822
   0.70475700  0.84245335  0.45928064
   0.88914141  0.24157144  0.07985811
   1.04578428  0.42577443  0.29121525
   0.31492164  0.14138934  0.65681645
   0.30625579  0.69471065  0.71146356
  -0.00724574  1.14949815  0.12866706
   0.21579647  1.05324111  0.02868925
   0.66173757  0.37400299  0.88019425
   0.90081340  0.45311201  0.61739426
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910212    0.581097   -0.129996
    -0.000000    9.810393   -0.048209
    -0.000000    0.000000   14.012379
   Si   O    H 
    32    64    10
Direct configuration=  1419
   0.17497996  0.16231042 -0.03657851
   0.37438439  0.08233182  0.37411150
   0.15410499  0.41576775  0.09665547
   0.37060859  0.33773515  0.24725152
   0.09280512  0.13385680  0.47668775
   0.43839920  0.14105614  0.85308901
   0.12158028  0.38581430  0.62429273
   0.36654241  0.38716075  0.75720774
   0.14051305  0.70045242 -0.00733214
   0.39768598  0.58728916  0.36203341
   0.06684695  0.90516544  0.14805329
   0.34837825  0.84523794  0.24373688
   0.16561826  0.65927918  0.50596760
   0.39479499  0.65363526  0.85615847
   0.04529733  0.91879719  0.62777652
   0.32512616  0.99862096  0.69817145
   0.64495614  0.14448096  1.01568886
   0.84700504  0.14211025  0.34720558
   0.60742654  0.42838573  0.12418745
   0.87885344  0.34046737  0.16590449
   0.62157449  0.17480761  0.50504647
   0.89083009  0.09920205  0.87693640
   0.58386930  0.45264098  0.62665956
   0.77423089  0.37118667  0.80441979
   0.61774751  0.67164577 -0.00979866
   0.92209582  0.59054724  0.37534450
   0.57447268  0.91350976  0.12275110
   0.80516036  0.85214677  0.27199132
   0.66035757  0.62834870  0.46491476
   0.86751392  0.62270311  0.88915109
   0.60941130  0.93032391  0.62906009
   0.80299415  0.86419253  0.76169512
   0.07424842  0.08358345  0.15402595
   0.36734976  0.18402864  0.28698551
   0.11911916  0.29714501  0.02277784
   0.32861980  0.44328663  0.33563322
   0.51017968  0.38791583  0.20636344
   0.28451699  0.34897450  0.14996304
   0.24076676  0.06940809  0.44657815
  -0.00887636  0.14569413  0.38422445
   0.00749989  0.04321631  0.55602121
   0.47383640  0.26372624  0.78057664
   0.12539817  0.26728836  0.53934597
   0.35390844  0.49739238  0.84438798
   0.44324994  0.48943100  0.67751707
   0.21795603  0.35375065  0.71958512
   0.30475395  0.22080811 -0.09356736
   0.04791164  0.13011359  0.88563497
   0.17395286  0.57632827  0.07124597
   0.40409333  0.69461904  0.27423292
   0.08560112  0.84419062  0.04387302
   0.41322781  0.92688894  0.33175917
   0.41169037  0.90417922  0.14527052
   0.18396012  0.85753249  0.22330280
   0.31211110  0.65500135  0.45793531
   0.06071121  0.63946494  0.41766596
   0.17942972  0.51927399  0.56835834
   0.37555538  0.74437712  0.75403023
   0.11987736  0.79774134  0.56274369
   0.38201991  1.01011921  0.80624677
   0.45056721  0.93299107  0.62574789
   0.17304380  0.94253352  0.69848284
   0.28219697  0.72132520 -0.06799171
   0.01384376  0.68202879  0.92144881
   0.60556960  0.07507717  0.11651410
   0.85432245  0.22172815  0.24561714
   0.60694128  0.30426639  0.04409896
   0.95911280  0.42751283  0.33964432
   0.02290939  0.41551229  0.16618930
   0.76263190  0.45741768  0.16888282
   0.74365026  0.21069900  0.42778781
   0.49357661  0.11957959  0.44507492
   0.68063847  0.05523384  0.57298714
   0.82179276  0.20340786  0.79092496
   0.57233156  0.30825321  0.57094373
   0.89678977  0.46231787  0.85526421
   0.97366365  0.41171230  0.65641929
   0.71752617  0.43901938  0.70176209
   0.80403749  0.12038441  0.98341522
   0.55467063  0.08723462  0.92864339
   0.56236119  0.56593547  0.06367316
   0.83679851  0.69182236  0.30322279
   0.61058328  0.83250665  0.02602338
   0.80763455  0.97652807  0.34658867
   0.91958883  0.84941437  0.18441611
   0.65640820  0.85082724  0.22124843
   0.81799911  0.55974039  0.45994395
   0.55457632  0.54690003  0.39570951
   0.61178021  0.60794011  0.57201323
   0.79620960  0.71164879  0.80198216
   0.64823218  0.77962469  0.42151051
   0.88822600  0.95106926  0.83843841
   0.91771467  0.84202358  0.67280075
   0.65966841  0.95012657  0.74004378
   0.76804219  0.62170917  0.97641879
   0.54959602  0.67961441  0.88426609
   0.66674946  0.79680022  0.60333368
   0.70910653  0.84082945  0.45653627
   0.89441335  0.24155850  0.08260653
   1.02735824  0.43191873  0.29540050
   0.31587790  0.13806306  0.65324091
   0.31835957  0.69505834  0.71410189
  -0.01222169  1.14810191  0.12836332
   0.21369953  1.05312426  0.03361705
   0.65885600  0.37298727  0.87880245
   0.89560201  0.44587658  0.61473414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909626    0.581110   -0.129888
    -0.000000    9.812351   -0.047444
    -0.000000    0.000000   14.011028
   Si   O    H 
    32    64    10
Direct configuration=  1420
   0.17375681  0.16259209 -0.03640301
   0.37493931  0.08134419  0.37480106
   0.15417009  0.41623108  0.09569807
   0.37081014  0.33658576  0.24837177
   0.09243346  0.13479154  0.47536353
   0.43781227  0.14159197  0.85361233
   0.12091090  0.38574537  0.62417147
   0.36548553  0.38741872  0.75756598
   0.14007244  0.70084359 -0.00801892
   0.39772104  0.58828309  0.36309715
   0.06770917  0.90583058  0.14794907
   0.34882407  0.84623363  0.24297550
   0.16466603  0.65792215  0.50495184
   0.39497455  0.65426610  0.85644868
   0.04573449  0.91780990  0.62717851
   0.32576790  0.99688158  0.69736626
   0.64645673  0.14502606  1.01575630
   0.84613039  0.14283897  0.34743561
   0.60708958  0.42700204  0.12306134
   0.88022977  0.34085936  0.16617893
   0.62142522  0.17359459  0.50465446
   0.89085294  0.09878664  0.87750252
   0.58439322  0.45163308  0.62544246
   0.77567091  0.37059676  0.80477070
   0.61739728  0.67294503 -0.00959387
   0.92234791  0.58842859  0.37573937
   0.57568796  0.91326364  0.12266728
   0.80577472  0.85082592  0.27153377
   0.65919450  0.62817676  0.46498942
   0.86845641  0.62265079  0.88812141
   0.60941526  0.92862211  0.62955703
   0.80258060  0.86398649  0.76242887
   0.07349841  0.08416388  0.15461397
   0.36778812  0.18340006  0.28733289
   0.11879306  0.29605550  0.02300110
   0.33074139  0.44283984  0.33513306
   0.51040046  0.38747309  0.20583165
   0.28416700  0.34866832  0.15128252
   0.24147701  0.06884817  0.44720633
  -0.00811972  0.14535493  0.38492283
   0.00611539  0.04320536  0.55625346
   0.47276005  0.26457572  0.78135357
   0.12769296  0.26721268  0.54078332
   0.35423847  0.49625024  0.84493634
   0.44452976  0.48756326  0.67842077
   0.21834228  0.35207848  0.71993223
   0.30476532  0.21817183 -0.09362387
   0.04837016  0.13151163  0.88547421
   0.17249859  0.57555437  0.07072883
   0.40253401  0.69186942  0.27445014
   0.08639944  0.84364992  0.04337510
   0.41514867  0.92791502  0.33123324
   0.41183010  0.90269528  0.14436118
   0.18538296  0.85732303  0.22458368
   0.30947478  0.65751902  0.45716943
   0.06139848  0.64037124  0.41898337
   0.18045300  0.51992533  0.56790334
   0.37535123  0.74176665  0.75426833
   0.12015686  0.79900403  0.56208506
   0.38171107  1.00845620  0.80666999
   0.44907852  0.93322579  0.62550516
   0.17249997  0.94618669  0.69810537
   0.28048923  0.72003077 -0.06838500
   0.01356093  0.68403212  0.91980700
   0.60635852  0.07423444  0.11659143
   0.85617427  0.22041804  0.24498756
   0.60603360  0.30435102  0.04541703
   0.95963344  0.42747150  0.33914425
   0.02324659  0.41375698  0.16593858
   0.76237619  0.45726185  0.16900585
   0.74442994  0.21303315  0.42746192
   0.49377084  0.11858048  0.44346784
   0.68130293  0.05526059  0.57366426
   0.82200740  0.20214619  0.79136928
   0.57204395  0.30697632  0.57115509
   0.89506415  0.46242279  0.85534610
   0.97258213  0.40937658  0.65660058
   0.71680411  0.43824474  0.70102240
   0.80346196  0.12041574  0.98319486
   0.55427178  0.08712391  0.92833846
   0.56157889  0.56593985  0.06427135
   0.83737845  0.69254590  0.30343831
   0.61056765  0.83265398  0.02549532
   0.80763458  0.97515519  0.34557913
   0.91944364  0.84999517  0.18489753
   0.65463215  0.84837493  0.22086866
   0.81873778  0.55802994  0.46034879
   0.55516094  0.54568268  0.39592040
   0.61121204  0.60734986  0.57261736
   0.79899151  0.71251673  0.80225156
   0.64906020  0.78029530  0.42147805
   0.88772047  0.94917716  0.83693550
   0.91723773  0.84069671  0.67279678
   0.66117899  0.94976385  0.74042385
   0.76887426  0.62194315  0.97724669
   0.55080065  0.68117367  0.88373937
   0.66649764  0.79663127  0.60235845
   0.70948945  0.83427294  0.45395730
   0.89670248  0.24232863  0.08524743
   1.01655447  0.43507163  0.29400838
   0.31688853  0.12930714  0.65288286
   0.32176853  0.69537088  0.71179592
  -0.01054659  1.14012254  0.12797904
   0.21135277  1.05536466  0.03667265
   0.65938387  0.37421958  0.87458413
   0.89249228  0.43969043  0.61457916
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908724    0.580869   -0.129863
    -0.000000    9.813774   -0.046320
    -0.000000    0.000000   14.009760
   Si   O    H 
    32    64    10
Direct configuration=  1421
   0.17265936  0.16296279 -0.03659962
   0.37528385  0.08098465  0.37545920
   0.15411484  0.41658577  0.09468327
   0.37169782  0.33549505  0.24918845
   0.09233276  0.13588082  0.47469783
   0.43726148  0.14182980  0.85448649
   0.12052770  0.38534076  0.62381264
   0.36502734  0.38771592  0.75773499
   0.13989778  0.70110116 -0.00874357
   0.39772782  0.58824844  0.36393602
   0.06804235  0.90720606  0.14796941
   0.34977609  0.84665805  0.24230165
   0.16395826  0.65655580  0.50407140
   0.39474135  0.65485328  0.85654196
   0.04648919  0.91639344  0.62665437
   0.32676061  0.99553630  0.69697103
   0.64805669  0.14534595  1.01592494
   0.84511631  0.14301765  0.34745261
   0.60709134  0.42606673  0.12249952
   0.88114708  0.34129248  0.16637228
   0.62108914  0.17295631  0.50389169
   0.89127083  0.09864262  0.87812554
   0.58514346  0.45069054  0.62440328
   0.77679058  0.36986787  0.80496933
   0.61696055  0.67469964 -0.00935548
   0.92243241  0.58683700  0.37598681
   0.57652904  0.91360478  0.12278992
   0.80572753  0.84907776  0.27136986
   0.65828960  0.62748115  0.46490581
   0.86999279  0.62277970  0.88712694
   0.60985482  0.92705839  0.63032589
   0.80259015  0.86399004  0.76286487
   0.07240548  0.08368521  0.15476744
   0.36818263  0.18284467  0.28685400
   0.11808733  0.29582258  0.02312865
   0.33269673  0.44256234  0.33387420
   0.51016227  0.38720705  0.20636922
   0.28400981  0.34822094  0.15269611
   0.24251693  0.06789935  0.44737545
  -0.00682090  0.14545805  0.38570623
   0.00492012  0.04369120  0.55588828
   0.47262119  0.26513366  0.78175434
   0.12925767  0.26725148  0.54235952
   0.35435399  0.49615962  0.84602620
   0.44625404  0.48542255  0.67956747
   0.21854459  0.35038430  0.71976859
   0.30502385  0.21483580 -0.09363520
   0.04922246  0.13270076  0.88547485
   0.17126623  0.57433584  0.07023895
   0.40068869  0.68985513  0.27466802
   0.08777285  0.84287413  0.04210505
   0.41599518  0.92871076  0.33102320
   0.41314890  0.90106367  0.14353849
   0.18700251  0.85755529  0.22618218
   0.30748669  0.65949739  0.45637626
   0.06097494  0.64194999  0.42035410
   0.18041087  0.52069838  0.56743184
   0.37472634  0.73985728  0.75532121
   0.12034167  0.79983043  0.56104533
   0.38201449  1.00660595  0.80745475
   0.44672062  0.93362452  0.62566080
   0.17230258  0.95036974  0.69825959
   0.27922327  0.71833124 -0.06826561
   0.01357359  0.68513410  0.91836618
   0.60689882  0.07346319  0.11656662
   0.85732624  0.21873481  0.24450840
   0.60544588  0.30300925  0.04640024
   0.95906866  0.42663210  0.33977371
   0.02448469  0.41161017  0.16591216
   0.76197731  0.45666028  0.16915342
   0.74438002  0.21503572  0.42725480
   0.49474332  0.11842986  0.44216797
   0.68236746  0.05507228  0.57431995
   0.82183287  0.20030906  0.79229167
   0.57226391  0.30517557  0.57148574
   0.89328689  0.46322426  0.85559485
   0.97021587  0.40749144  0.65586901
   0.71632006  0.43755489  0.70056768
   0.80307993  0.11977030  0.98282281
   0.55425581  0.08715608  0.92834356
   0.56095569  0.56601141  0.06508108
   0.83872756  0.69238026  0.30349454
   0.61089768  0.83252614  0.02468768
   0.80836181  0.97441409  0.34499695
   0.91984964  0.85012800  0.18522798
   0.65309522  0.84632638  0.22042253
   0.81920039  0.55736345  0.46127079
   0.55573759  0.54424227  0.39604039
   0.61068426  0.60582074  0.57361832
   0.80208063  0.71374526  0.80247288
   0.64964074  0.78106852  0.42101619
   0.88695453  0.94837082  0.83582456
   0.91608666  0.84026393  0.67278834
   0.66312983  0.94939692  0.74085116
   0.77050379  0.62213458  0.97838157
   0.55078386  0.68278668  0.88362249
   0.66916429  0.79709164  0.59805814
   0.71333740  0.83492076  0.45571862
   0.89681847  0.24485721  0.08680577
   1.02875630  0.43907724  0.27670458
   0.31699180  0.12360803  0.65143657
   0.31622151  0.69215844  0.70477023
  -0.00395572  1.12927303  0.12994381
   0.20513093  1.06037793  0.03771087
   0.66289288  0.37599898  0.86960238
   0.89610283  0.43407059  0.61833311
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908324    0.580718   -0.130470
    -0.000000    9.814890   -0.044962
    -0.000000    0.000000   14.008428
   Si   O    H 
    32    64    10
Direct configuration=  1422
   0.17139321  0.16415593 -0.03646784
   0.37560045  0.08022760  0.37627092
   0.15406066  0.41649258  0.09388163
   0.37314607  0.33427923  0.25019576
   0.09230222  0.13661370  0.47462488
   0.43617150  0.14251389  0.85541536
   0.12129108  0.38515900  0.62330317
   0.36451663  0.38820428  0.75783770
   0.13962382  0.70086072 -0.00954823
   0.39727061  0.58834255  0.36455683
   0.06754143  0.90898354  0.14826513
   0.35064289  0.84730658  0.24181203
   0.16275334  0.65528818  0.50348364
   0.39483114  0.65509837  0.85647343
   0.04764689  0.91485740  0.62619988
   0.32724812  0.99422995  0.69667599
   0.64902398  0.14596387  1.01605860
   0.84392807  0.14324881  0.34749220
   0.60723375  0.42502729  0.12191050
   0.88192775  0.34129441  0.16670277
   0.62113848  0.17220142  0.50303380
   0.89172790  0.09884445  0.87876695
   0.58600578  0.45054383  0.62363479
   0.77819798  0.36953994  0.80521875
   0.61640723  0.67622790 -0.00908773
   0.92195295  0.58548950  0.37610518
   0.57734629  0.91363773  0.12326237
   0.80566174  0.84796133  0.27093000
   0.65730544  0.62684024  0.46484482
   0.87172495  0.62313997  0.88666125
   0.61015031  0.92575139  0.63095118
   0.80350147  0.86396758  0.76306893
   0.07186707  0.08176468  0.15522627
   0.36806513  0.18147538  0.28644065
   0.11766630  0.29563548  0.02271654
   0.33466564  0.44216807  0.33283693
   0.50962457  0.38746232  0.20658203
   0.28414155  0.34821419  0.15469524
   0.24295776  0.06589919  0.44710124
  -0.00520996  0.14503885  0.38667050
   0.00361886  0.04451251  0.55598570
   0.47212523  0.26511229  0.78203848
   0.12959509  0.26743374  0.54317790
   0.35451464  0.49563239  0.84725494
   0.44745147  0.48321003  0.68105759
   0.21906447  0.34791724  0.71909601
   0.30497424  0.21115643 -0.09341013
   0.05043715  0.13391945  0.88601775
   0.17095135  0.57313742  0.06933747
   0.39889096  0.68842300  0.27509421
   0.08858338  0.84228709  0.04120978
   0.41622168  0.93000875  0.33132046
   0.41507532  0.89980971  0.14319462
   0.18825595  0.85829724  0.22732867
   0.30594506  0.66162621  0.45513559
   0.06029472  0.64372115  0.42144885
   0.18138571  0.52026656  0.56730895
   0.37355844  0.73842127  0.75612046
   0.12096196  0.79953774  0.56033957
   0.38283516  1.00464842  0.80786976
   0.44390268  0.93295361  0.62540842
   0.17129481  0.95398758  0.69900841
   0.27761223  0.71725521 -0.06747815
   0.01278156  0.68574743  0.91722595
   0.60767124  0.07310591  0.11706499
   0.85794533  0.21756979  0.24430852
   0.60592803  0.30136201  0.04743993
   0.95861259  0.42737520  0.34011149
   0.02563701  0.41111153  0.16530382
   0.76089569  0.45656569  0.16894578
   0.74412118  0.21723340  0.42733229
   0.49575590  0.11900844  0.44159539
   0.68353302  0.05423250  0.57443097
   0.82147467  0.19927814  0.79316287
   0.57267399  0.30342038  0.57187713
   0.89156349  0.46329063  0.85535687
   0.96799835  0.40547268  0.65569986
   0.71579259  0.43716084  0.70069170
   0.80313260  0.11871708  0.98202407
   0.55410838  0.08708702  0.92860800
   0.56018445  0.56559188  0.06561070
   0.84017777  0.69157416  0.30326409
   0.61152118  0.83246775  0.02420893
   0.81004459  0.97396451  0.34469602
   0.92101395  0.85077908  0.18618132
   0.65236465  0.84551965  0.21979538
   0.81933490  0.55686701  0.46181043
   0.55613168  0.54240584  0.39628406
   0.61019257  0.60380018  0.57494389
   0.80532578  0.71371346  0.80281774
   0.64945495  0.78224338  0.42040569
   0.88685522  0.94717353  0.83476197
   0.91567962  0.84037006  0.67260993
   0.66506496  0.94928934  0.74103741
   0.77249104  0.62199394  0.97907222
   0.55045561  0.68380510  0.88336915
   0.67264379  0.79773904  0.59056261
   0.71875539  0.83689643  0.45551158
   0.89513002  0.25015695  0.08675240
   1.03305510  0.44059078  0.26754838
   0.31547508  0.12445016  0.64875459
   0.31808891  0.69369382  0.70284934
  -0.01331960  1.12445290  0.12953773
   0.20563326  1.06248244  0.03667277
   0.66542455  0.37865193  0.86347000
   0.89420259  0.43614200  0.61853311
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907689    0.579899   -0.130719
    -0.000000    9.816176   -0.043459
    -0.000000    0.000000   14.007232
   Si   O    H 
    32    64    10
Direct configuration=  1423
   0.17032014  0.16518560 -0.03684861
   0.37547459  0.07875216  0.37715761
   0.15374094  0.41670726  0.09372585
   0.37475253  0.33290330  0.25051764
   0.09216058  0.13780531  0.47498158
   0.43568223  0.14250644  0.85584277
   0.12207033  0.38506182  0.62257809
   0.36451236  0.38907300  0.75761274
   0.13923756  0.70042352 -0.01024784
   0.39676309  0.58860014  0.36509908
   0.06703981  0.91075563  0.14875919
   0.35208400  0.84747173  0.24180591
   0.16184424  0.65457676  0.50331340
   0.39512786  0.65564725  0.85602195
   0.04831286  0.91319663  0.62555387
   0.32728021  0.99304963  0.69640151
   0.64943741  0.14638869  1.01583174
   0.84289003  0.14269046  0.34751804
   0.60774791  0.42420121  0.12142842
   0.88263726  0.34093142  0.16719539
   0.62140200  0.17145104  0.50182471
   0.89221365  0.09954127  0.87920832
   0.58746896  0.45093466  0.62315266
   0.77897417  0.36899919  0.80529775
   0.61582321  0.67741642 -0.00897900
   0.92165980  0.58389853  0.37616703
   0.57827458  0.91354294  0.12394827
   0.80531627  0.84647541  0.27028245
   0.65633207  0.62680224  0.46489438
   0.87343304  0.62301584  0.88652657
   0.61055603  0.92510318  0.63160143
   0.80473170  0.86368134  0.76311260
   0.07155467  0.07921385  0.15576957
   0.36750649  0.18027032  0.28593369
   0.11710529  0.29530697  0.02214403
   0.33638016  0.44123906  0.33242445
   0.50906769  0.38745740  0.20645320
   0.28401330  0.34909542  0.15661032
   0.24285593  0.06439723  0.44719521
  -0.00356309  0.14449230  0.38818024
   0.00304441  0.04591064  0.55534324
   0.47163633  0.26473596  0.78199984
   0.12995370  0.26870837  0.54379139
   0.35494286  0.49502910  0.84859753
   0.44881649  0.48081036  0.68215630
   0.21932642  0.34550192  0.71846225
   0.30529685  0.20839783 -0.09307266
   0.05203377  0.13463442  0.88683921
   0.16986243  0.57210371  0.06794916
   0.39702570  0.68725922  0.27536213
   0.08987661  0.84202827  0.04039535
   0.41655523  0.93239074  0.33125011
   0.41714384  0.89878729  0.14326004
   0.19082633  0.85869863  0.22878138
   0.30550528  0.66383721  0.45343788
   0.05848677  0.64524124  0.42260418
   0.18228506  0.51977695  0.56721986
   0.37174917  0.73680024  0.75600661
   0.12191951  0.79875185  0.55972304
   0.38285114  1.00270573  0.80795211
   0.44124315  0.93222176  0.62568803
   0.16842963  0.95714544  0.69974723
   0.27613689  0.71629885 -0.06696856
   0.01255680  0.68588111  0.91568130
   0.60833992  0.07315130  0.11755932
   0.85862324  0.21672043  0.24448586
   0.60694056  0.29904348  0.04824480
   0.95885934  0.42863345  0.34001556
   0.02750512  0.41093040  0.16420417
   0.76023957  0.45678847  0.16878000
   0.74398723  0.21951367  0.42731253
   0.49679444  0.11937222  0.44108051
   0.68420998  0.05300003  0.57452455
   0.82155012  0.19923198  0.79357338
   0.57298973  0.30173853  0.57251599
   0.89038013  0.46383685  0.85529656
   0.96638633  0.40405411  0.65540232
   0.71562405  0.43607766  0.70087247
   0.80391567  0.11773978  0.98093195
   0.55461910  0.08783873  0.92838423
   0.55885535  0.56491124  0.06574968
   0.84129749  0.69055283  0.30371786
   0.61190519  0.83276275  0.02403684
   0.81157270  0.97358987  0.34473715
   0.92193603  0.85124286  0.18621038
   0.65190728  0.84500864  0.21935387
   0.81921650  0.55631796  0.46194170
   0.55578862  0.54109609  0.39707970
   0.60998219  0.60116642  0.57627115
   0.80826528  0.71350775  0.80274343
   0.64949853  0.78355350  0.42036151
   0.88705590  0.94635988  0.83436260
   0.91546172  0.84009143  0.67239567
   0.66639725  0.94923214  0.74124220
   0.77507700  0.62230919  0.97940551
   0.54949753  0.68397441  0.88322376
   0.67461439  0.79706618  0.58431917
   0.71807151  0.83494796  0.45232394
   0.89040428  0.25452473  0.08364404
   1.02795000  0.44434475  0.26376289
   0.31423112  0.12909382  0.64896235
   0.32153914  0.69818606  0.70411241
  -0.01957601  1.12058133  0.13027741
   0.20870044  1.06196964  0.03275956
   0.66206988  0.38256430  0.86293815
   0.88387828  0.44151334  0.61706558
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906776    0.579740   -0.130667
    -0.000000    9.817289   -0.041833
    -0.000000    0.000000   14.006059
   Si   O    H 
    32    64    10
Direct configuration=  1424
   0.16926939  0.16612961 -0.03726090
   0.37560108  0.07732125  0.37814877
   0.15433103  0.41643811  0.09419762
   0.37606086  0.33170212  0.25104432
   0.09169822  0.13890147  0.47548960
   0.43561796  0.14224235  0.85634971
   0.12297980  0.38491901  0.62206285
   0.36418443  0.38970484  0.75746032
   0.13867246  0.70006298 -0.01141805
   0.39629583  0.58907469  0.36586248
   0.06611182  0.91217202  0.14900129
   0.35329632  0.84728278  0.24160241
   0.16123292  0.65396524  0.50325103
   0.39529021  0.65658522  0.85579150
   0.04872953  0.91244402  0.62505824
   0.32665523  0.99206027  0.69591895
   0.64942474  0.14686065  1.01541822
   0.84262278  0.14229756  0.34724377
   0.60802370  0.42345356  0.12097532
   0.88340668  0.34031156  0.16734911
   0.62178442  0.17093774  0.50064453
   0.89307355  0.09955407  0.87913688
   0.58873398  0.45124532  0.62260419
   0.78006175  0.36831130  0.80501688
   0.61551417  0.67798240 -0.00909102
   0.92131192  0.58337340  0.37604479
   0.57858602  0.91348099  0.12505161
   0.80501778  0.84550613  0.26957825
   0.65593372  0.62642652  0.46485781
   0.87454928  0.62249237  0.88676874
   0.61047450  0.92462402  0.63210570
   0.80549729  0.86346110  0.76352526
   0.07090825  0.07678163  0.15568567
   0.36698518  0.17976051  0.28591788
   0.11713115  0.29589540  0.02176554
   0.33742156  0.44129639  0.33255935
   0.50851395  0.38749304  0.20686360
   0.28390486  0.34932513  0.15772337
   0.24333566  0.06322512  0.44690399
  -0.00234427  0.14369293  0.38960549
   0.00323475  0.04684532  0.55487396
   0.47130882  0.26399404  0.78128466
   0.12988347  0.26999860  0.54403074
   0.35474693  0.49454030  0.84928919
   0.44991361  0.47834384  0.68312124
   0.21978371  0.34385383  0.71770790
   0.30579624  0.20628255 -0.09291586
   0.05299802  0.13472819  0.88748098
   0.16921367  0.57223378  0.06608268
   0.39447726  0.68570858  0.27558489
   0.09130482  0.84186672  0.04012170
   0.41721351  0.93459378  0.33103798
   0.41864124  0.89800443  0.14388448
   0.19264461  0.85918216  0.23014107
   0.30615243  0.66542213  0.45097718
   0.05597240  0.64564803  0.42349372
   0.18227170  0.51989359  0.56770484
   0.37015542  0.73563606  0.75621150
   0.12278986  0.79813924  0.55884388
   0.38346967  1.00170778  0.80797992
   0.43916184  0.93125533  0.62572715
   0.16628747  0.95978392  0.70060385
   0.27546712  0.71495200 -0.06661149
   0.01056411  0.68532366  0.91480660
   0.60875395  0.07347127  0.11781986
   0.85868080  0.21632754  0.24421650
   0.60834482  0.29710837  0.04872827
   0.95954243  0.42981925  0.33971969
   0.02908385  0.41066739  0.16339753
   0.75866993  0.45657631  0.16834315
   0.74303356  0.22200879  0.42759762
   0.49778140  0.12011481  0.44080197
   0.68345674  0.05155682  0.57484192
   0.82112463  0.19979894  0.79428329
   0.57338523  0.30042606  0.57286765
   0.88877211  0.46420738  0.85547084
   0.96492621  0.40245167  0.65508836
   0.71519040  0.43504477  0.70161380
   0.80477854  0.11674391  0.97914981
   0.55487617  0.08826368  0.92837975
   0.55745450  0.56407182  0.06549042
   0.84197769  0.68926540  0.30418439
   0.61324838  0.83407560  0.02387555
   0.81325271  0.97367013  0.34460484
   0.92250131  0.85209533  0.18547440
   0.65171525  0.84517798  0.21865411
   0.81822148  0.55601259  0.46276616
   0.55486074  0.54107980  0.39763777
   0.60891532  0.59901708  0.57720114
   0.81055658  0.71308553  0.80278213
   0.64890869  0.78487191  0.42043979
   0.88781108  0.94578209  0.83466178
   0.91554016  0.84083478  0.67208679
   0.66745981  0.94810682  0.74131154
   0.77744528  0.62326869  0.97976935
   0.54878136  0.68334389  0.88352518
   0.67403376  0.79949711  0.58120892
   0.71711770  0.83608371  0.44981370
   0.88131304  0.25805365  0.08179608
   1.01968862  0.44643643  0.26631587
   0.31525822  0.13691122  0.64976026
   0.32257374  0.70168954  0.70355866
  -0.02338002  1.11280954  0.13279614
   0.21349118  1.05625097  0.02726454
   0.65812901  0.38402776  0.86361235
   0.88026931  0.44596527  0.61797757
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905557    0.579178   -0.130784
    -0.000000    9.818453   -0.040605
    -0.000000    0.000000   14.004545
   Si   O    H 
    32    64    10
Direct configuration=  1425
   0.16826196  0.16702632 -0.03770617
   0.37512600  0.07593282  0.37848198
   0.15519937  0.41532159  0.09513373
   0.37744389  0.33079479  0.25116830
   0.09158602  0.13965895  0.47672848
   0.43531738  0.14129515  0.85705003
   0.12361104  0.38536611  0.62143536
   0.36425591  0.39016509  0.75723041
   0.13788500  0.69949810 -0.01224907
   0.39657648  0.58878861  0.36697493
   0.06464001  0.91318220  0.14904110
   0.35452747  0.84713263  0.24153064
   0.16070033  0.65413837  0.50395289
   0.39565020  0.65634139  0.85532635
   0.04927657  0.91165576  0.62470987
   0.32648914  0.99183554  0.69587102
   0.64891883  0.14694009  1.01488149
   0.84195488  0.14252539  0.34727244
   0.60834803  0.42310768  0.12094824
   0.88362263  0.33939090  0.16769824
   0.62205713  0.17053132  0.49959792
   0.89368627  0.09954110  0.87871614
   0.59017224  0.45162844  0.62245439
   0.78082455  0.36766630  0.80491271
   0.61569815  0.67812903 -0.00897932
   0.92093094  0.58290770  0.37608572
   0.57923051  0.91342264  0.12640875
   0.80456122  0.84488750  0.26892844
   0.65558752  0.62623685  0.46526695
   0.87525165  0.62184594  0.88667825
   0.61014030  0.92448997  0.63259111
   0.80675499  0.86283421  0.76421672
   0.07004506  0.07432340  0.15575595
   0.36661665  0.17944182  0.28607846
   0.11697092  0.29728332  0.02139258
   0.33765694  0.44185148  0.33260736
   0.50873844  0.38742429  0.20601672
   0.28311865  0.35009692  0.15826281
   0.24409496  0.06273709  0.44686343
  -0.00135517  0.14315330  0.39022873
   0.00410946  0.04790431  0.55371538
   0.47123574  0.26281109  0.78043566
   0.12972618  0.26997262  0.54328835
   0.35446522  0.49335116  0.85008693
   0.45100271  0.47594908  0.68353901
   0.22017842  0.34265163  0.71634667
   0.30533246  0.20497405 -0.09286254
   0.05289444  0.13406345  0.88832032
   0.16816370  0.57288060  0.06378158
   0.39189865  0.68443538  0.27531640
   0.09196132  0.84208451  0.04056924
   0.41747021  0.93556066  0.33057338
   0.41973655  0.89691785  0.14445025
   0.19384787  0.86007250  0.23125220
   0.30718523  0.66696579  0.44862842
   0.05272496  0.64625008  0.42396533
   0.18296277  0.51964711  0.56820646
   0.36951418  0.73450499  0.75624304
   0.12355109  0.79745438  0.55812926
   0.38367287  1.00045036  0.80787818
   0.43795542  0.92971131  0.62508794
   0.16461445  0.96173891  0.70103006
   0.27508971  0.71292448 -0.06615657
   0.00882859  0.68470062  0.91414579
   0.61029331  0.07331258  0.11792677
   0.85900346  0.21654098  0.24365996
   0.61031065  0.29607702  0.04885890
   0.96025343  0.43107724  0.33876349
   0.03026784  0.41027439  0.16290637
   0.75763387  0.45702599  0.16803804
   0.74214555  0.22476120  0.42800678
   0.49889724  0.12116748  0.44073783
   0.68255544  0.05004996  0.57499782
   0.82086747  0.20048380  0.79498452
   0.57472276  0.29842553  0.57300337
   0.88766088  0.46466594  0.85583985
   0.96379455  0.40130766  0.65464923
   0.71548298  0.43441364  0.70355971
   0.80637578  0.11581464  0.97718986
   0.55510501  0.08967280  0.92857328
   0.55620257  0.56356738  0.06557210
   0.84201986  0.68741806  0.30424573
   0.61479489  0.83544106  0.02362802
   0.81400065  0.97506822  0.34451550
   0.92287101  0.85343905  0.18426986
   0.65236914  0.84479452  0.21898662
   0.81618640  0.55642951  0.46331489
   0.55426756  0.54096926  0.39761779
   0.60703264  0.59729934  0.57873587
   0.81178227  0.71339643  0.80279263
   0.64839091  0.78535710  0.42104290
   0.88889441  0.94554155  0.83580456
   0.91575150  0.84187121  0.67162534
   0.66767339  0.94752298  0.74139453
   0.77952289  0.62391663  0.98007929
   0.54767344  0.68234773  0.88383619
   0.67237043  0.80293209  0.58220657
   0.71813791  0.84443553  0.44988653
   0.87238404  0.26169907  0.07614536
   1.00627793  0.44339817  0.27534639
   0.31856909  0.14347750  0.65160879
   0.32007348  0.70488883  0.69996403
  -0.02210306  1.10458086  0.13698423
   0.21897345  1.04920604  0.02126112
   0.65163810  0.38193225  0.86648032
   0.88992861  0.44950991  0.62372542
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904381    0.578705   -0.131278
    -0.000000    9.819284   -0.039242
    -0.000000    0.000000   14.002894
   Si   O    H 
    32    64    10
Direct configuration=  1426
   0.16776671  0.16742765 -0.03807844
   0.37488376  0.07448848  0.37863254
   0.15610547  0.41431485  0.09635706
   0.37916225  0.33065151  0.25135165
   0.09200428  0.14033604  0.47820544
   0.43551563  0.14059010  0.85747116
   0.12454176  0.38607456  0.62112142
   0.36409152  0.39066942  0.75733947
   0.13638134  0.69880317 -0.01313186
   0.39674952  0.58849794  0.36794396
   0.06292254  0.91344653  0.14925407
   0.35583870  0.84700998  0.24151535
   0.16060252  0.65453006  0.50476102
   0.39556978  0.65628269  0.85478071
   0.04922826  0.91114340  0.62404077
   0.32575162  0.99159419  0.69603970
   0.64870695  0.14644237  1.01475659
   0.84141668  0.14289041  0.34758383
   0.60890620  0.42304816  0.12122024
   0.88321366  0.33803668  0.16785368
   0.62218654  0.17023805  0.49900388
   0.89393681  0.09941803  0.87809098
   0.59143470  0.45145834  0.62269014
   0.78155646  0.36799035  0.80467735
   0.61566336  0.67811051 -0.00892562
   0.92054874  0.58231917  0.37639859
   0.57946374  0.91337477  0.12767511
   0.80485824  0.84421813  0.26851097
   0.65577863  0.62633458  0.46583684
   0.87537271  0.62104652  0.88720936
   0.61051789  0.92466636  0.63288622
   0.80793244  0.86235941  0.76487388
   0.06958851  0.07300312  0.15603768
   0.36575222  0.17848948  0.28589131
   0.11673832  0.29969184  0.02118714
   0.33838237  0.44180794  0.33263245
   0.50900910  0.38705994  0.20528695
   0.28196885  0.35073834  0.15877364
   0.24483798  0.06246101  0.44685713
  -0.00096687  0.14294228  0.39025531
   0.00504018  0.04796553  0.55261584
   0.47213031  0.26036881  0.78012548
   0.12986139  0.27026055  0.54219635
   0.35377380  0.49166314  0.85078447
   0.45145594  0.47371786  0.68408001
   0.22100161  0.34155765  0.71484602
   0.30471597  0.20413399 -0.09263194
   0.05280529  0.13296046  0.88923845
   0.16736763  0.57296802  0.06130586
   0.38986077  0.68377057  0.27500157
   0.09195606  0.84289008  0.04184094
   0.41846811  0.93587024  0.32990314
   0.42091118  0.89705425  0.14507676
   0.19435782  0.86155848  0.23244495
   0.30782157  0.66904389  0.44620662
   0.04961479  0.64569263  0.42369683
   0.18376913  0.51875783  0.56889528
   0.36849140  0.73305963  0.75596663
   0.12436737  0.79663914  0.55750548
   0.38278105  0.99984020  0.80727335
   0.43689104  0.92825798  0.62443652
   0.16281762  0.96334374  0.70136186
   0.27529036  0.71148409 -0.06599855
   0.00772071  0.68444321  0.91363278
   0.61241064  0.07222684  0.11802706
   0.85875111  0.21687165  0.24347152
   0.61250878  0.29557992  0.04874488
   0.96185156  0.43197343  0.33768589
   0.03081494  0.41008122  0.16304828
   0.75688210  0.45688134  0.16736065
   0.74139720  0.22756503  0.42811504
   0.49949100  0.12272520  0.44057047
   0.68137805  0.04930067  0.57498570
   0.82055743  0.20114254  0.79539810
   0.57544145  0.29749582  0.57315489
   0.88738952  0.46361562  0.85568688
   0.96358746  0.40024924  0.65423686
   0.71464917  0.43409372  0.70507238
   0.80771597  0.11526338  0.97497439
   0.55623461  0.09117317  0.92865929
   0.55467530  0.56408165  0.06542792
   0.84156730  0.68605246  0.30451493
   0.61631963  0.83645990  0.02341580
   0.81431581  0.97726409  0.34418559
   0.92384401  0.85533493  0.18302152
   0.65431018  0.84467503  0.21921188
   0.81460390  0.55711208  0.46378105
   0.55393703  0.53996472  0.39790146
   0.60499614  0.59550865  0.58008946
   0.81270225  0.71331607  0.80272977
   0.64843096  0.78498724  0.42192808
   0.89057235  0.94640136  0.83752334
   0.91634846  0.84262289  0.67127707
   0.66755577  0.94661296  0.74190713
   0.78105887  0.62457279  0.98047854
   0.54699319  0.68141754  0.88452398
   0.67077288  0.80533208  0.58616216
   0.71575408  0.85112010  0.44975506
   0.86353004  0.26886255  0.07247194
   0.99399612  0.43893524  0.28620871
   0.32365936  0.14201943  0.65595074
   0.31875949  0.70653197  0.69627804
  -0.02182861  1.10267299  0.13836479
   0.22195680  1.04388549  0.01548058
   0.64988273  0.37848704  0.86952006
   0.89508902  0.45277194  0.62772292
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903533    0.577827   -0.131916
    -0.000000    9.819722   -0.038213
    -0.000000    0.000000   14.001211
   Si   O    H 
    32    64    10
Direct configuration=  1427
   0.16795171  0.16771858 -0.03842263
   0.37423589  0.07322444  0.37884319
   0.15734962  0.41368866  0.09794576
   0.38089974  0.33106900  0.25159358
   0.09258364  0.14077471  0.47954757
   0.43519209  0.13998648  0.85783239
   0.12538280  0.38655512  0.62056704
   0.36407001  0.39135326  0.75754330
   0.13415508  0.69883205 -0.01386463
   0.39717027  0.58843642  0.36850864
   0.06142936  0.91250768  0.14952369
   0.35736417  0.84641674  0.24158660
   0.16070855  0.65494167  0.50572998
   0.39493284  0.65588373  0.85479922
   0.04864614  0.91097587  0.62338893
   0.32522517  0.99199313  0.69661239
   0.64912013  0.14545436  1.01474790
   0.84073183  0.14351619  0.34779210
   0.60961250  0.42309569  0.12160583
   0.88294904  0.33666919  0.16772807
   0.62213249  0.16991401  0.49874874
   0.89398743  0.09947567  0.87737223
   0.59218846  0.45108254  0.62318832
   0.78121512  0.36752477  0.80443122
   0.61575161  0.67784428 -0.00848866
   0.91945241  0.58107274  0.37689065
   0.57984197  0.91330946  0.12822915
   0.80498842  0.84370558  0.26818992
   0.65578078  0.62669317  0.46627505
   0.87490293  0.62051622  0.88757761
   0.60982355  0.92487170  0.63305952
   0.80889482  0.86246839  0.76540607
   0.06868202  0.07183938  0.15580783
   0.36538915  0.17856156  0.28642656
   0.11628264  0.30222391  0.02166160
   0.33910397  0.44116065  0.33349837
   0.50953590  0.38654526  0.20467279
   0.28137943  0.35152026  0.15879362
   0.24574055  0.06302364  0.44707284
  -0.00174712  0.14228825  0.38958009
   0.00661131  0.04791633  0.55235646
   0.47290342  0.25832362  0.77991865
   0.13069297  0.27010901  0.54082679
   0.35388835  0.48943164  0.85152890
   0.45146260  0.47183512  0.68456928
   0.22188217  0.34072149  0.71355338
   0.30429356  0.20324824 -0.09221686
   0.05291104  0.13175358  0.88934310
   0.16611168  0.57319872  0.05941255
   0.38812099  0.68315927  0.27422346
   0.09232732  0.84373624  0.04297061
   0.41950491  0.93495178  0.32964222
   0.42172222  0.89786956  0.14523128
   0.19555925  0.86325903  0.23331334
   0.30885280  0.67048761  0.44432860
   0.04639731  0.64473471  0.42347864
   0.18351392  0.51855390  0.56895919
   0.36763637  0.73236389  0.75556428
   0.12518027  0.79549865  0.55740501
   0.38172766  0.99894943  0.80681777
   0.43682050  0.92586572  0.62381061
   0.16156756  0.96335522  0.70211294
   0.27659130  0.71039759 -0.06614329
   0.00730516  0.68523277  0.91317783
   0.61361211  0.07132404  0.11787673
   0.85902369  0.21660831  0.24342370
   0.61417851  0.29572890  0.04862752
   0.96246370  0.43354167  0.33901115
   0.03032395  0.40965547  0.16338784
   0.75636029  0.45678990  0.16730664
   0.73998528  0.22962184  0.42805794
   0.49938709  0.12410177  0.44065389
   0.68126115  0.04875384  0.57470624
   0.81982922  0.20239176  0.79595155
   0.57620708  0.29684795  0.57338767
   0.88753236  0.46209494  0.85554894
   0.96475761  0.39815939  0.65393115
   0.71446714  0.43414868  0.70616450
   0.80833696  0.11542654  0.97324399
   0.55735328  0.09327451  0.92831238
   0.55293251  0.56453468  0.06506540
   0.84187935  0.68535725  0.30528649
   0.61773770  0.83654602  0.02317060
   0.81344384  0.97958448  0.34383601
   0.92439936  0.85729061  0.18175910
   0.65676640  0.84510375  0.21921252
   0.81292224  0.55790423  0.46379537
   0.55372019  0.53851676  0.39800123
   0.60348977  0.59444344  0.58083199
   0.81311015  0.71357444  0.80309327
   0.64871097  0.78487735  0.42285424
   0.89256036  0.94810985  0.83884252
   0.91646262  0.84418639  0.67158979
   0.66808337  0.94659872  0.74246470
   0.78285025  0.62445923  0.98031517
   0.54609078  0.67989555  0.88490337
   0.67140445  0.80345523  0.59094290
   0.70583321  0.85323667  0.44744980
   0.85923709  0.27594169  0.07279531
   1.00767389  0.44193469  0.26504051
   0.32970859  0.13271242  0.66093793
   0.32133848  0.70587493  0.69641298
  -0.03143543  1.10942063  0.13753513
   0.22582891  1.04161439  0.01153046
   0.65000843  0.37125207  0.86987608
   0.88966566  0.46353581  0.62994666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902991    0.577109   -0.132920
    -0.000000    9.820346   -0.037208
    -0.000000    0.000000   13.999104
   Si   O    H 
    32    64    10
Direct configuration=  1428
   0.16805575  0.16779373 -0.03845426
   0.37432242  0.07233519  0.37895895
   0.15893456  0.41335606  0.09922545
   0.38238381  0.33131415  0.25169918
   0.09394004  0.14124825  0.48055754
   0.43508176  0.13904614  0.85829729
   0.12612674  0.38634721  0.61983263
   0.36383732  0.39135463  0.75778595
   0.13243341  0.69890745 -0.01408382
   0.39718112  0.58871938  0.36889432
   0.06080653  0.91116764  0.14961110
   0.35831675  0.84628863  0.24210856
   0.16116009  0.65542787  0.50655986
   0.39375680  0.65518809  0.85481430
   0.04826663  0.91074883  0.62273221
   0.32435763  0.99301968  0.69717089
   0.65010422  0.14452737  1.01508290
   0.83959364  0.14445507  0.34815632
   0.61068659  0.42373163  0.12175847
   0.88250947  0.33577368  0.16765800
   0.62218500  0.16962291  0.49900753
   0.89428585  0.09962858  0.87674841
   0.59339877  0.45001074  0.62381261
   0.78048117  0.36706723  0.80469863
   0.61558943  0.67745833 -0.00782309
   0.91803498  0.57963226  0.37773413
   0.58000702  0.91278850  0.12798720
   0.80532485  0.84343559  0.26838794
   0.65562882  0.62800239  0.46654236
   0.87439413  0.61999323  0.88837873
   0.60863374  0.92491261  0.63320654
   0.80966419  0.86274383  0.76536322
   0.06691393  0.07150270  0.15533683
   0.36492124  0.17804188  0.28705155
   0.11570573  0.30436010  0.02197730
   0.34000747  0.44034416  0.33436051
   0.51087235  0.38528712  0.20465065
   0.28095241  0.35238039  0.15907353
   0.24542708  0.06348811  0.44687306
  -0.00326697  0.14272370  0.38871932
   0.00844515  0.04746368  0.55222176
   0.47341974  0.25683026  0.78053595
   0.13085117  0.26970420  0.53990258
   0.35352167  0.48766029  0.85232438
   0.45199879  0.47079447  0.68497294
   0.22310107  0.33994841  0.71180971
   0.30414243  0.20313564 -0.09222584
   0.05223712  0.13113394  0.88880641
   0.16478320  0.57324308  0.05802862
   0.38548604  0.68372159  0.27303714
   0.09261978  0.84523575  0.04398437
   0.42064050  0.93338225  0.32959319
   0.42228715  0.89865456  0.14527701
   0.19643796  0.86476907  0.23392053
   0.30863471  0.67156624  0.44285888
   0.04446364  0.64366061  0.42366954
   0.18354600  0.51804057  0.56965807
   0.36695560  0.73095129  0.75521338
   0.12633630  0.79425039  0.55756448
   0.38118883  0.99748344  0.80619190
   0.43781350  0.92346508  0.62308698
   0.16057020  0.96290169  0.70255743
   0.27761465  0.70924623 -0.06696781
   0.00804909  0.68607938  0.91361436
   0.61568298  0.07037028  0.11765414
   0.85883678  0.21594161  0.24345213
   0.61561501  0.29723507  0.04782298
   0.96314246  0.43544024  0.33976246
   0.02929782  0.40921727  0.16399616
   0.75635130  0.45624572  0.16735136
   0.73875990  0.23132412  0.42729102
   0.49844319  0.12570039  0.44125821
   0.68042440  0.04841154  0.57461010
   0.81957005  0.20270849  0.79684653
   0.57664334  0.29658775  0.57317984
   0.88791808  0.46033595  0.85565236
   0.96514441  0.39587291  0.65356291
   0.71483973  0.43364613  0.70708985
   0.80810938  0.11573899  0.97229244
   0.55819393  0.09519459  0.92822834
   0.55189748  0.56576704  0.06511619
   0.84129575  0.68543976  0.30567754
   0.61803300  0.83602147  0.02414813
   0.81287578  0.98087068  0.34318049
   0.92384392  0.85928223  0.18136405
   0.65869309  0.84591502  0.21872214
   0.81085463  0.55933967  0.46328863
   0.55438411  0.53685281  0.39813697
   0.60237673  0.59344964  0.58080467
   0.81314543  0.71402507  0.80378942
   0.64856556  0.78408952  0.42340169
   0.89448753  0.95009003  0.84051145
   0.91674435  0.84660238  0.67207233
   0.66807177  0.94659317  0.74316307
   0.78362174  0.62440585  0.98056805
   0.54536709  0.67859099  0.88547386
   0.67318622  0.79717797  0.59706807
   0.69680634  0.85510974  0.44492685
   0.85954098  0.28367300  0.07613516
   1.01884105  0.44377003  0.25325862
   0.33420242  0.12490521  0.66622189
   0.32686891  0.70394751  0.69895852
  -0.02749423  1.11695432  0.13855746
   0.22751237  1.04454706  0.00919654
   0.65750999  0.36638510  0.86950128
   0.88990755  0.46616596  0.63478406
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902573    0.576967   -0.133860
    -0.000000    9.821289   -0.036625
    -0.000000    0.000000   13.996315
   Si   O    H 
    32    64    10
Direct configuration=  1429
   0.16842515  0.16782873 -0.03853053
   0.37513927  0.07166183  0.37903173
   0.16052236  0.41353585  0.09996793
   0.38345526  0.33184313  0.25213099
   0.09473188  0.14215132  0.48160055
   0.43465204  0.13819476  0.85836496
   0.12634529  0.38664180  0.61923365
   0.36393315  0.39078166  0.75765505
   0.13069899  0.69913069 -0.01418845
   0.39718478  0.58888041  0.36918443
   0.06107220  0.91032549  0.15011720
   0.35885010  0.84576437  0.24320988
   0.16264956  0.65622582  0.50698482
   0.39231616  0.65449954  0.85513678
   0.04778910  0.91064607  0.62205526
   0.32394315  0.99432014  0.69794924
   0.65099548  0.14358950  1.01546700
   0.83884007  0.14591096  0.34821027
   0.61123808  0.42490839  0.12173203
   0.88149750  0.33575332  0.16739490
   0.62254248  0.16982965  0.49979630
   0.89431414  0.10002198  0.87631727
   0.59438609  0.44841285  0.62458409
   0.77950602  0.36745302  0.80507566
   0.61580105  0.67703871 -0.00685588
   0.91662474  0.57815363  0.37874772
   0.57970895  0.91257210  0.12769677
   0.80618869  0.84315066  0.26886691
   0.65486195  0.62876736  0.46639971
   0.87420291  0.61937870  0.88971466
   0.60724279  0.92529117  0.63325460
   0.81100937  0.86317667  0.76501007
   0.06486481  0.07237182  0.15451016
   0.36427631  0.17747733  0.28817946
   0.11497074  0.30616013  0.02157758
   0.34000272  0.43936179  0.33457221
   0.51290417  0.38420719  0.20501728
   0.28117130  0.35290907  0.15899252
   0.24424440  0.06464795  0.44744181
  -0.00566271  0.14385841  0.38869072
   0.01023909  0.04731223  0.55157449
   0.47399787  0.25513730  0.78174299
   0.13050994  0.26871899  0.53853975
   0.35396853  0.48628988  0.85314742
   0.45241776  0.47052071  0.68506049
   0.22338047  0.33969599  0.70975457
   0.30266137  0.20318757 -0.09259215
   0.05135127  0.13082614  0.88818348
   0.16302299  0.57303001  0.05719321
   0.38275650  0.68424884  0.27172440
   0.09168178  0.84654211  0.04498882
   0.42148656  0.93208333  0.32934486
   0.42305515  0.89860462  0.14485593
   0.19629260  0.86538736  0.23438444
   0.30752094  0.67192835  0.44189054
   0.04285702  0.64270735  0.42380841
   0.18389755  0.51760752  0.57051686
   0.36644869  0.72997734  0.75497205
   0.12756968  0.79364053  0.55778608
   0.38060280  0.99542683  0.80572984
   0.43882903  0.92086672  0.62190510
   0.15879515  0.96272558  0.70340476
   0.27943757  0.70833403 -0.06754599
   0.00853572  0.68599867  0.91380684
   0.61772718  0.06947613  0.11745380
   0.85847811  0.21544322  0.24333070
   0.61675827  0.30001835  0.04707228
   0.96356335  0.43624889  0.33975035
   0.02807936  0.40821878  0.16567656
   0.75686616  0.45520167  0.16715560
   0.73703217  0.23189875  0.42639617
   0.49682503  0.12751979  0.44176012
   0.67921377  0.04812879  0.57457329
   0.81839369  0.20386585  0.79706402
   0.57706045  0.29697717  0.57323141
   0.88890306  0.45933225  0.85550959
   0.96544175  0.39325802  0.65325935
   0.71536038  0.43294513  0.70794164
   0.80718628  0.11574496  0.97168232
   0.55853799  0.09705695  0.92829546
   0.55080747  0.56795175  0.06502406
   0.84071588  0.68551511  0.30605911
   0.61859798  0.83544866  0.02534397
   0.81249279  0.98078299  0.34224680
   0.92293755  0.86044725  0.18148958
   0.66072177  0.84686754  0.21832831
   0.80801325  0.56048706  0.46268628
   0.55459948  0.53516811  0.39840596
   0.60211619  0.59314836  0.58063043
   0.81300115  0.71376951  0.80448418
   0.64776290  0.78352629  0.42335356
   0.89565373  0.95172852  0.84155656
   0.91682342  0.84925909  0.67238187
   0.66683995  0.94658379  0.74439912
   0.78367928  0.62443197  0.98073103
   0.54499767  0.67694838  0.88622395
   0.67459743  0.79523089  0.60514645
   0.69449992  0.86434737  0.44535083
   0.86302020  0.29111712  0.07688719
   1.02627743  0.44224987  0.24870554
   0.33616090  0.12958313  0.66863426
   0.32801672  0.70017354  0.69628035
  -0.01679220  1.12332668  0.14134650
   0.22331032  1.04655298  0.00912359
   0.66700132  0.36463955  0.86699941
   0.89725312  0.46539466  0.63905230
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901987    0.576604   -0.135017
    -0.000000    9.821938   -0.035718
    -0.000000    0.000000   13.993545
   Si   O    H 
    32    64    10
Direct configuration=  1430
   0.16881569  0.16780920 -0.03880128
   0.37600878  0.07085817  0.37901399
   0.16156366  0.41385820  0.10048840
   0.38406678  0.33217371  0.25233212
   0.09535054  0.14235273  0.48262750
   0.43411311  0.13712850  0.85828677
   0.12651377  0.38671607  0.61895052
   0.36405654  0.38919320  0.75721580
   0.12934427  0.69930686 -0.01417444
   0.39713177  0.58845266  0.36921468
   0.06217797  0.90946629  0.15053280
   0.35999736  0.84543352  0.24458596
   0.16372302  0.65705139  0.50735677
   0.39074777  0.65356162  0.85576523
   0.04721152  0.91060179  0.62122800
   0.32354925  0.99517192  0.69852414
   0.65180613  0.14313326  1.01608952
   0.83777483  0.14727119  0.34812796
   0.61095547  0.42608719  0.12208945
   0.87977276  0.33548924  0.16735257
   0.62344121  0.17084584  0.50078841
   0.89445960  0.10046196  0.87567188
   0.59483556  0.44641660  0.62570708
   0.77855035  0.36703074  0.80529506
   0.61668237  0.67573097 -0.00591986
   0.91566289  0.57713060  0.37974563
   0.57936307  0.91255592  0.12706843
   0.80726482  0.84270341  0.26919912
   0.65441815  0.62943278  0.46636555
   0.87338152  0.61908663  0.89060875
   0.60535560  0.92588449  0.63340759
   0.81215312  0.86341531  0.76475294
   0.06283898  0.07335131  0.15412440
   0.36419336  0.17673851  0.28898829
   0.11421782  0.30715500  0.02055985
   0.33844649  0.43873395  0.33457277
   0.51553323  0.38250824  0.20582706
   0.28166801  0.35312481  0.15855853
   0.24376581  0.06605844  0.44799916
  -0.00736688  0.14376477  0.38935287
   0.01165340  0.04648805  0.55071826
   0.47515518  0.25344885  0.78322320
   0.12972931  0.26859352  0.53683584
   0.35376165  0.48470635  0.85358395
   0.45252777  0.47055681  0.68511295
   0.22335011  0.33941455  0.70808930
   0.30088432  0.20442139 -0.09334947
   0.05021874  0.13155571  0.88714071
   0.16161675  0.57144408  0.05639211
   0.38064391  0.68506897  0.27027486
   0.09143627  0.84740990  0.04626115
   0.42274265  0.93053683  0.32936956
   0.42304691  0.89895982  0.14419729
   0.19529841  0.86550844  0.23481793
   0.30647008  0.67159068  0.44189114
   0.04198208  0.64209195  0.42418016
   0.18430042  0.51676415  0.57133190
   0.36631022  0.72868565  0.75442731
   0.12878647  0.79357676  0.55819837
   0.37984072  0.99400306  0.80530625
   0.43987807  0.91819130  0.62034044
   0.15743055  0.96176530  0.70417798
   0.28026845  0.70864606 -0.06742566
   0.00968731  0.68626526  0.91452198
   0.62026891  0.06903044  0.11705413
   0.85686586  0.21457661  0.24272214
   0.61764061  0.30217176  0.04648114
   0.96410725  0.43647787  0.33959130
   0.02655810  0.40815405  0.16761447
   0.75752350  0.45370499  0.16667809
   0.73505080  0.23309971  0.42509665
   0.49611538  0.12907726  0.44202059
   0.67803155  0.04744911  0.57479770
   0.81825826  0.20577912  0.79771569
   0.57727319  0.29767502  0.57303388
   0.89020253  0.45779959  0.85478426
   0.96572952  0.38995871  0.65304669
   0.71595316  0.43262910  0.70885710
   0.80639279  0.11554765  0.97138792
   0.55863232  0.09944621  0.92851952
   0.54958741  0.56989739  0.06469958
   0.84065648  0.68508673  0.30606898
   0.61846485  0.83575168  0.02692076
   0.81203436  0.98051316  0.34065151
   0.92117477  0.86234697  0.18205864
   0.66235045  0.84758226  0.21817803
   0.80516152  0.56184305  0.46262228
   0.55389412  0.53396020  0.39870620
   0.60272715  0.59328447  0.58006392
   0.81273683  0.71266236  0.80517757
   0.64652937  0.78236948  0.42331562
   0.89674850  0.95221677  0.84256639
   0.91677517  0.85223024  0.67230142
   0.66562651  0.94544236  0.74511611
   0.78342280  0.62446549  0.98144631
   0.54453803  0.67581718  0.88719595
   0.67260078  0.79225274  0.60868935
   0.68922940  0.87318142  0.44524314
   0.86969385  0.29190122  0.07015273
   1.02976749  0.44143555  0.24936030
   0.33718361  0.14011695  0.66999639
   0.32546601  0.69286215  0.69467530
  -0.01645547  1.13479980  0.14166704
   0.21530506  1.04663586  0.01264361
   0.67154226  0.36706044  0.86702595
   0.90291347  0.46561228  0.64308855
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901154    0.576994   -0.135917
    -0.000000    9.823164   -0.033946
    -0.000000    0.000000   13.990716
   Si   O    H 
    32    64    10
Direct configuration=  1431
   0.16898026  0.16787436 -0.03929289
   0.37662531  0.06990666  0.37919793
   0.16230140  0.41434060  0.10106090
   0.38446576  0.33291957  0.25216547
   0.09527678  0.14179390  0.48289630
   0.43412217  0.13615357  0.85802870
   0.12646737  0.38627264  0.61851476
   0.36420293  0.38752213  0.75698550
   0.12853237  0.69944728 -0.01391147
   0.39740846  0.58773298  0.36913754
   0.06337102  0.90848592  0.15115310
   0.36124089  0.84500119  0.24560230
   0.16450395  0.65747931  0.50727681
   0.38932747  0.65205307  0.85649287
   0.04635881  0.91067720  0.62058820
   0.32276336  0.99515155  0.69853739
   0.65263376  0.14276248  1.01664218
   0.83705549  0.14869905  0.34806099
   0.61012157  0.42718357  0.12209705
   0.87827498  0.33482564  0.16730311
   0.62472627  0.17159250  0.50154640
   0.89453995  0.10103070  0.87524419
   0.59548462  0.44442099  0.62686342
   0.77727447  0.36694025  0.80589108
   0.61791958  0.67471451 -0.00517237
   0.91545104  0.57624497  0.38040988
   0.57894009  0.91294543  0.12663719
   0.80880278  0.84249080  0.26996145
   0.65368013  0.62983615  0.46632613
   0.87275189  0.61895011  0.89088307
   0.60298067  0.92702653  0.63342760
   0.81303763  0.86354619  0.76457548
   0.06160826  0.07462102  0.15428921
   0.36404532  0.17584103  0.28939861
   0.11362075  0.30724792  0.01992513
   0.33759376  0.43789367  0.33466317
   0.51730555  0.38126807  0.20717631
   0.28288930  0.35261585  0.15802444
   0.24407756  0.06741109  0.44867314
  -0.00885786  0.14476412  0.38978817
   0.01344817  0.04515712  0.55028103
   0.47610466  0.25275694  0.78420978
   0.12898682  0.26932337  0.53592776
   0.35333297  0.48361059  0.85368760
   0.45293201  0.47069008  0.68478757
   0.22315692  0.34038451  0.70639138
   0.29861071  0.20563748 -0.09448219
   0.04898968  0.13295333  0.88614091
   0.16029536  0.56985452  0.05568754
   0.38017569  0.68500370  0.26925439
   0.09111711  0.84748719  0.04690136
   0.42366451  0.92920250  0.32964254
   0.42148716  0.89891253  0.14353742
   0.19457380  0.86609717  0.23438923
   0.30497540  0.67061485  0.44250843
   0.04196273  0.64079203  0.42461343
   0.18437072  0.51632718  0.57188528
   0.36661920  0.72833576  0.75340678
   0.12989855  0.79404429  0.55901522
   0.37898353  0.99287919  0.80514588
   0.44150498  0.91527600  0.61843771
   0.15663879  0.96160291  0.70434388
   0.28045836  0.70913673 -0.06760026
   0.01098144  0.68583909  0.91504364
   0.62261068  0.06899611  0.11707608
   0.85521486  0.21438190  0.24223211
   0.61914470  0.30329671  0.04579520
   0.96367825  0.43574091  0.33928614
   0.02473847  0.40806234  0.16945151
   0.75800647  0.45227338  0.16683159
   0.73255314  0.23364198  0.42335927
   0.49505255  0.13014169  0.44225931
   0.67644752  0.04710177  0.57503341
   0.81826942  0.20761728  0.79854026
   0.57791661  0.29899575  0.57293657
   0.89127370  0.45684125  0.85449372
   0.96690816  0.38673274  0.65298333
   0.71611295  0.43273576  0.70931195
   0.80520181  0.11592603  0.97178730
   0.55886270  0.10098446  0.92927504
   0.54885499  0.57041436  0.06459796
   0.84023871  0.68588309  0.30648275
   0.61929887  0.83571292  0.02828354
   0.81129977  0.97998257  0.33930821
   0.91871833  0.86431957  0.18308913
   0.66406168  0.84799023  0.21824519
   0.80254940  0.56306950  0.46243183
   0.55251464  0.53314748  0.39932229
   0.60331157  0.59498091  0.57896096
   0.81246267  0.71073226  0.80556402
   0.64574891  0.78246432  0.42398697
   0.89732342  0.95171773  0.84294533
   0.91604143  0.85521182  0.67132082
   0.66505515  0.94458983  0.74596695
   0.78148816  0.62364250  0.98228751
   0.54477299  0.67371748  0.88832937
   0.67014435  0.78972863  0.60922561
   0.68020227  0.87024353  0.44312464
   0.87541794  0.28835384  0.06430491
   1.03030736  0.44194834  0.25521720
   0.33772091  0.15068860  0.67028818
   0.32366840  0.68718764  0.69758012
  -0.01976889  1.14361062  0.13977721
   0.20892658  1.04535637  0.01745205
   0.66861925  0.37433171  0.87010979
   0.90724479  0.46785103  0.64780824
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900389    0.576984   -0.137096
    -0.000000    9.824691   -0.031716
    -0.000000    0.000000   13.987700
   Si   O    H 
    32    64    10
Direct configuration=  1432
   0.16905754  0.16831379 -0.03947060
   0.37759013  0.06903825  0.37965530
   0.16269772  0.41488028  0.10110771
   0.38450456  0.33318164  0.25193071
   0.09513708  0.14051400  0.48289085
   0.43397932  0.13482662  0.85769906
   0.12527861  0.38602371  0.61806451
   0.36438254  0.38611612  0.75661064
   0.12863612  0.69903967 -0.01327472
   0.39762725  0.58662238  0.36857976
   0.06482424  0.90805497  0.15229858
   0.36218279  0.84446159  0.24630784
   0.16497170  0.65778501  0.50732275
   0.38778771  0.64996494  0.85704081
   0.04611844  0.91021490  0.62003174
   0.32189796  0.99507684  0.69838498
   0.65375771  0.14272184  1.01775320
   0.83593765  0.15014858  0.34833131
   0.60963942  0.42782362  0.12216955
   0.87668878  0.33468419  0.16743209
   0.62551470  0.17254980  0.50244695
   0.89490259  0.10275882  0.87499390
   0.59607999  0.44280522  0.62810311
   0.77622461  0.36602413  0.80597958
   0.61912997  0.67453608 -0.00475705
   0.91476014  0.57595771  0.38076987
   0.57935983  0.91373745  0.12591598
   0.81074309  0.84218974  0.27045814
   0.65332468  0.63009122  0.46665238
   0.87246819  0.61873651  0.89117472
   0.60085779  0.92740744  0.63319806
   0.81361514  0.86366710  0.76402805
   0.06102084  0.07620515  0.15398813
   0.36409359  0.17498023  0.28931917
   0.11236641  0.30780722  0.01959361
   0.33652842  0.43708978  0.33547943
   0.51955227  0.38027112  0.20832958
   0.28455732  0.35219160  0.15746450
   0.24365320  0.06846240  0.44925080
  -0.01011415  0.14577021  0.38991211
   0.01503649  0.04477091  0.55056876
   0.47652182  0.25281778  0.78525859
   0.12915708  0.27080170  0.53585491
   0.35295415  0.48263142  0.85382267
   0.45333887  0.47116623  0.68430271
   0.22315917  0.34113905  0.70467446
   0.29674926  0.20778488 -0.09533175
   0.04812185  0.13503231  0.88501620
   0.15867524  0.56901096  0.05527236
   0.38044164  0.68467139  0.26885369
   0.09152111  0.84669744  0.04735178
   0.42460884  0.92827957  0.33044842
   0.42004700  0.89898466  0.14313345
   0.19338024  0.86673095  0.23354211
   0.30320591  0.66940311  0.44337596
   0.04279664  0.64032875  0.42500961
   0.18438964  0.51639322  0.57303743
   0.36692185  0.72826612  0.75252453
   0.13093777  0.79492588  0.56044889
   0.37831369  0.99163613  0.80560575
   0.44253441  0.91321096  0.61727228
   0.15620580  0.96035793  0.70447625
   0.28082114  0.71023232 -0.06745241
   0.01259278  0.68563221  0.91536954
   0.62483794  0.06922438  0.11663682
   0.85350768  0.21406897  0.24192104
   0.62103924  0.30409699  0.04576175
   0.96362152  0.43456248  0.33855523
   0.02352386  0.40732389  0.17131343
   0.75892701  0.45141578  0.16663814
   0.72926964  0.23334555  0.42170849
   0.49350166  0.13135218  0.44288937
   0.67400866  0.04711581  0.57538139
   0.81906832  0.20887823  0.79884244
   0.57909777  0.30026319  0.57270577
   0.89270588  0.45679074  0.85422821
   0.96808340  0.38378840  0.65299789
   0.71556972  0.43309475  0.70902243
   0.80404151  0.11654208  0.97243191
   0.55885715  0.10267806  0.93019779
   0.54869309  0.57036672  0.06446732
   0.83926475  0.68641978  0.30740015
   0.61964302  0.83490204  0.02916860
   0.81120822  0.97981520  0.33798304
   0.91602482  0.86548609  0.18414415
   0.66517120  0.84878844  0.21844361
   0.79997746  0.56397800  0.46276798
   0.55113665  0.53299309  0.39975781
   0.60377542  0.59743744  0.57751333
   0.81238460  0.71031453  0.80555979
   0.64509193  0.78297833  0.42487954
   0.89812800  0.95045554  0.84281389
   0.91554097  0.85848573  0.67013289
   0.66474213  0.94409249  0.74653153
   0.77856474  0.62330157  0.98307105
   0.54488611  0.67286396  0.88968041
   0.66387070  0.79300904  0.60918545
   0.67121831  0.86560077  0.44298703
   0.88226290  0.28185339  0.06266423
   1.02732217  0.44268296  0.26316883
   0.33062965  0.15221226  0.67181547
   0.32099234  0.68220441  0.70011428
  -0.00987359  1.14231174  0.13859888
   0.20504165  1.04752178  0.02342719
   0.66102021  0.38293340  0.87380095
   0.91055486  0.47076725  0.65400202
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899996    0.577150   -0.138102
    -0.000000    9.826124   -0.029740
    -0.000000    0.000000   13.984540
   Si   O    H 
    32    64    10
Direct configuration=  1433
   0.16897252  0.16847588 -0.03953768
   0.37798130  0.06787778  0.38000836
   0.16247293  0.41543079  0.10108907
   0.38415787  0.33308033  0.25187906
   0.09519025  0.13942183  0.48255011
   0.43348839  0.13351747  0.85701183
   0.12403930  0.38605801  0.61774306
   0.36418797  0.38379744  0.75638321
   0.12929605  0.69856649 -0.01291780
   0.39708968  0.58565139  0.36794579
   0.06590914  0.90759479  0.15359641
   0.36260893  0.84381222  0.24670721
   0.16557640  0.65762015  0.50705085
   0.38650007  0.64793177  0.85709362
   0.04660742  0.91052301  0.61999772
   0.32152334  0.99498124  0.69785415
   0.65510155  0.14241719  1.01859095
   0.83494257  0.15163673  0.34858527
   0.60872664  0.42868515  0.12194269
   0.87542281  0.33494003  0.16716461
   0.62560947  0.17300409  0.50356356
   0.89545858  0.10458538  0.87476634
   0.59581081  0.44119118  0.62951153
   0.77483009  0.36572113  0.80589691
   0.62059540  0.67422178 -0.00477651
   0.91387576  0.57614177  0.38132838
   0.58028374  0.91420523  0.12587821
   0.81273677  0.84225632  0.27067264
   0.65220638  0.63094446  0.46711202
   0.87205396  0.61858310  0.89125493
   0.59991879  0.92769399  0.63300672
   0.81436639  0.86386512  0.76367042
   0.05992879  0.07758382  0.15389996
   0.36401922  0.17392527  0.28874936
   0.11212748  0.30865162  0.01922664
   0.33511271  0.43627956  0.33651778
   0.52115606  0.37978419  0.20901437
   0.28649015  0.35189405  0.15706306
   0.24282749  0.06863412  0.44945818
  -0.01021706  0.14623034  0.39034255
   0.01696390  0.04339369  0.55117295
   0.47635910  0.25267120  0.78583895
   0.13039958  0.27229801  0.53594343
   0.35228884  0.48174345  0.85418855
   0.45384994  0.47175210  0.68336243
   0.22391121  0.34194169  0.70313825
   0.29530138  0.20994576 -0.09625694
   0.04724199  0.13696454  0.88410124
   0.15792854  0.56826950  0.05518282
   0.38033746  0.68328322  0.26808119
   0.09170077  0.84604294  0.04709239
   0.42563339  0.92693333  0.33138712
   0.41912915  0.89867343  0.14270260
   0.19166615  0.86708520  0.23288429
   0.30047853  0.66894556  0.44423633
   0.04392789  0.64031394  0.42561379
   0.18508042  0.51677148  0.57335255
   0.36704051  0.72878633  0.75226995
   0.13194609  0.79559321  0.56250716
   0.37853008  0.99145842  0.80648884
   0.44187264  0.91232741  0.61599082
   0.15619660  0.95848519  0.70410870
   0.28120370  0.71111409 -0.06691795
   0.01384017  0.68599029  0.91518294
   0.62689955  0.06886369  0.11653240
   0.85168189  0.21336196  0.24244269
   0.62219766  0.30449792  0.04604601
   0.96326747  0.43354545  0.33720379
   0.02295220  0.40760119  0.17327215
   0.75902156  0.45087169  0.16643972
   0.72602565  0.23315963  0.41999325
   0.49275305  0.13313470  0.44395135
   0.67228666  0.04726095  0.57595730
   0.82047963  0.21039017  0.79935678
   0.58030808  0.30137378  0.57207068
   0.89368183  0.45758336  0.85436498
   0.96855494  0.38214557  0.65363544
   0.71558692  0.43370902  0.70830965
   0.80320593  0.11668094  0.97294085
   0.55775232  0.10509471  0.93107047
   0.55021329  0.56949588  0.06478227
   0.83989654  0.68574572  0.30855822
   0.61971013  0.83396578  0.02998150
   0.81110585  0.97985997  0.33711823
   0.91392719  0.86707071  0.18527303
   0.66583556  0.84918460  0.21782016
   0.79866192  0.56375425  0.46362156
   0.54918578  0.53276116  0.40040866
   0.60464442  0.59908370  0.57614722
   0.81164089  0.70987270  0.80537541
   0.64382090  0.78265342  0.42575848
   0.89852483  0.94815895  0.84203543
   0.91404269  0.86141288  0.66917401
   0.66374711  0.94281578  0.74633418
   0.77594499  0.62300812  0.98340007
   0.54426017  0.67195206  0.89125524
   0.65686786  0.79661506  0.60733565
   0.66882083  0.87164502  0.44666573
   0.89259374  0.27539525  0.06615908
   1.01952144  0.44039268  0.27548827
   0.32346612  0.14582360  0.67162750
   0.32023641  0.67240181  0.70106824
  -0.00486221  1.13915506  0.13365290
   0.20182351  1.05087044  0.02859533
   0.65340821  0.39034554  0.87670117
   0.91567242  0.47075418  0.65875668
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899641    0.576955   -0.138680
    -0.000000    9.827265   -0.028085
    -0.000000    0.000000   13.981311
   Si   O    H 
    32    64    10
Direct configuration=  1434
   0.16826474  0.16883041 -0.03911941
   0.37804983  0.06702822  0.38001358
   0.16145253  0.41573563  0.10100553
   0.38343476  0.33267745  0.25173216
   0.09475186  0.13857955  0.48189595
   0.43241275  0.13203125  0.85597048
   0.12270150  0.38550869  0.61715763
   0.36419590  0.38148926  0.75619295
   0.13105376  0.69772475 -0.01254148
   0.39586797  0.58500641  0.36763037
   0.06668396  0.90714975  0.15487149
   0.36192407  0.84333173  0.24633821
   0.16591911  0.65711521  0.50680962
   0.38521363  0.64659059  0.85663109
   0.04683919  0.91077215  0.62013650
   0.32101657  0.99483544  0.69709599
   0.65666859  0.14279174  1.01923618
   0.83435827  0.15276470  0.34844855
   0.60818422  0.42955028  0.12155753
   0.87471114  0.33530818  0.16686317
   0.62590327  0.17287971  0.50425540
   0.89542165  0.10578485  0.87393408
   0.59527920  0.44030450  0.63060848
   0.77388033  0.36547135  0.80621509
   0.62174933  0.67332615 -0.00485710
   0.91345137  0.57656618  0.38206218
   0.58102653  0.91447230  0.12609617
   0.81456034  0.84182755  0.27057473
   0.65115931  0.63158590  0.46764739
   0.87120055  0.61801092  0.89115608
   0.59925031  0.92739793  0.63290298
   0.81583606  0.86361769  0.76349290
   0.06066696  0.07764391  0.15379531
   0.36340491  0.17393070  0.28841617
   0.11299186  0.30883469  0.01891560
   0.33389551  0.43610859  0.33751138
   0.52299682  0.37930327  0.21014913
   0.28875735  0.35109459  0.15638729
   0.24209280  0.06810874  0.44923525
  -0.01003570  0.14683115  0.39161963
   0.01826719  0.04163327  0.55232696
   0.47656149  0.25297667  0.78617108
   0.13152298  0.27400973  0.53547074
   0.35141121  0.48108428  0.85387902
   0.45446624  0.47261686  0.68251334
   0.22521787  0.34282238  0.70248533
   0.29441000  0.21165693 -0.09754609
   0.04621976  0.13862587  0.88338873
   0.15718571  0.56751836  0.05516821
   0.37974030  0.68159144  0.26768214
   0.09104832  0.84518110  0.04685079
   0.42694301  0.92547313  0.33279045
   0.41801061  0.89841516  0.14235432
   0.18953974  0.86789245  0.23258123
   0.29811229  0.66831406  0.44492322
   0.04500894  0.64088924  0.42655664
   0.18601390  0.51728140  0.57327562
   0.36680096  0.72925803  0.75233821
   0.13317717  0.79651355  0.56444014
   0.37976962  0.99208349  0.80792340
   0.44015605  0.91141112  0.61491738
   0.15671321  0.95704039  0.70316509
   0.28130906  0.71177762 -0.06628300
   0.01448792  0.68655958  0.91471234
   0.62834966  0.06827864  0.11669239
   0.85018477  0.21311233  0.24239045
   0.62314483  0.30449289  0.04657327
   0.96305207  0.43218096  0.33592074
   0.02209445  0.40768382  0.17459831
   0.75828885  0.45039006  0.16636370
   0.72280561  0.23281332  0.41864222
   0.49287513  0.13510280  0.44598583
   0.67169567  0.04779264  0.57676447
   0.82272520  0.21096691  0.79994943
   0.58058246  0.30226152  0.57148369
   0.89516548  0.45904448  0.85461774
   0.96934578  0.38114515  0.65389619
   0.71554708  0.43469314  0.70759798
   0.80321244  0.11641967  0.97326866
   0.55722169  0.10665970  0.93208297
   0.55091891  0.56869881  0.06542422
   0.84037062  0.68561855  0.30932696
   0.62008973  0.83363012  0.03001164
   0.81097348  0.98074378  0.33682124
   0.91153560  0.86796604  0.18610611
   0.66704765  0.84967682  0.21707889
   0.79729904  0.56419803  0.46477454
   0.54781574  0.53328575  0.40105551
   0.60535738  0.60014955  0.57517205
   0.81088666  0.71033871  0.80442991
   0.64184510  0.78291172  0.42646652
   0.89898648  0.94647159  0.84134553
   0.91255098  0.86383473  0.66837956
   0.66295859  0.94214883  0.74612796
   0.77336007  0.62255890  0.98360412
   0.54302384  0.67076048  0.89253508
   0.65368866  0.79656636  0.60379913
   0.66291954  0.87591853  0.44951204
   0.89975343  0.26583921  0.07440935
   1.01030342  0.43854127  0.28758308
   0.31569519  0.13499120  0.67184834
   0.32370594  0.67004926  0.70500558
  -0.01294039  1.14567687  0.12319255
   0.19974529  1.05626713  0.03240479
   0.65524721  0.39748161  0.87932445
   0.92258203  0.46462562  0.66185996
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899119    0.577180   -0.139488
    -0.000000    9.828369   -0.026677
    -0.000000    0.000000   13.977924
   Si   O    H 
    32    64    10
Direct configuration=  1435
   0.16702370  0.16892928 -0.03814379
   0.37832416  0.06688786  0.37961630
   0.16004357  0.41609459  0.10121966
   0.38244847  0.33243692  0.25162023
   0.09412315  0.13743942  0.48069734
   0.43188583  0.13026712  0.85548338
   0.12085900  0.38515628  0.61631573
   0.36440820  0.37940636  0.75579837
   0.13277127  0.69757550 -0.01213444
   0.39432726  0.58420431  0.36712376
   0.06740400  0.90657570  0.15641791
   0.36110254  0.84255495  0.24595588
   0.16603608  0.65632026  0.50647899
   0.38405068  0.64578158  0.85601146
   0.04732828  0.91083250  0.61996833
   0.31996477  0.99519141  0.69694957
   0.65820923  0.14354613  1.01966368
   0.83423972  0.15358694  0.34836324
   0.60718816  0.43122957  0.12131932
   0.87469413  0.33490082  0.16657843
   0.62621325  0.17322178  0.50493904
   0.89504252  0.10638140  0.87340985
   0.59466702  0.43971334  0.63154495
   0.77232769  0.36543786  0.80656172
   0.62268483  0.67283712 -0.00484502
   0.91287441  0.57706146  0.38279519
   0.58179209  0.91424660  0.12632443
   0.81609735  0.84102205  0.27031261
   0.64966115  0.63215342  0.46833867
   0.87076288  0.61730789  0.89073497
   0.59899962  0.92650907  0.63295800
   0.81725322  0.86360931  0.76358263
   0.06152809  0.07778537  0.15388634
   0.36242091  0.17344154  0.28843651
   0.11423364  0.30831399  0.01895235
   0.33257246  0.43617460  0.33890556
   0.52524368  0.37871373  0.21079954
   0.29145369  0.34979062  0.15627520
   0.24186473  0.06778323  0.44919738
  -0.00961062  0.14725983  0.39296247
   0.01898074  0.03949440  0.55356749
   0.47609728  0.25346634  0.78590697
   0.13249759  0.27592326  0.53491067
   0.35199432  0.48102401  0.85398507
   0.45439342  0.47359619  0.68216672
   0.22717764  0.34385460  0.70234631
   0.29327137  0.21348366 -0.09917111
   0.04559461  0.14064818  0.88291946
   0.15676579  0.56658183  0.05573203
   0.37972396  0.68033835  0.26677680
   0.08989716  0.84372668  0.04656332
   0.42820951  0.92341908  0.33412400
   0.41722570  0.89823993  0.14163478
   0.18841231  0.86842601  0.23249181
   0.29690903  0.66810708  0.44485612
   0.04561297  0.64202219  0.42814396
   0.18652045  0.51958244  0.57269056
   0.36580583  0.72917058  0.75233364
   0.13399623  0.79773800  0.56603742
   0.38103183  0.99286899  0.80909898
   0.43823603  0.91005052  0.61463196
   0.15688531  0.95577998  0.70226457
   0.28173731  0.71205707 -0.06584914
   0.01438133  0.68762939  0.91405907
   0.62828488  0.06722146  0.11729396
   0.84832936  0.21294115  0.24195304
   0.62363549  0.30468936  0.04647273
   0.96128268  0.43197083  0.33624332
   0.02186498  0.40828449  0.17576806
   0.75736560  0.45046303  0.16618062
   0.71999008  0.23249192  0.41739764
   0.49261956  0.13575496  0.44813881
   0.67059980  0.04744021  0.57703985
   0.82494566  0.21114961  0.80037727
   0.58104007  0.30412303  0.57046602
   0.89645846  0.46019942  0.85490650
   0.97003205  0.38004128  0.65412932
   0.71614193  0.43538449  0.70647694
   0.80290801  0.11718026  0.97320223
   0.55609509  0.10827973  0.93313524
   0.55139986  0.56735776  0.06595802
   0.84114342  0.68476200  0.30967920
   0.62103849  0.83344555  0.02906373
   0.81096951  0.98259308  0.33674641
   0.91007580  0.86895654  0.18634764
   0.66751771  0.85029682  0.21665011
   0.79716642  0.56452714  0.46585246
   0.54602570  0.53443258  0.40194583
   0.60644451  0.60058794  0.57466418
   0.81081308  0.71092368  0.80315464
   0.64015959  0.78490246  0.42661786
   0.89982942  0.94516338  0.84074059
   0.91066327  0.86536785  0.66740310
   0.66170867  0.94138358  0.74625313
   0.77165522  0.62197348  0.98385203
   0.54149850  0.67042530  0.89362288
   0.65259570  0.79354434  0.59700082
   0.65727372  0.87277816  0.45073131
   0.90115366  0.25829841  0.08061656
   1.02290729  0.43983591  0.27958429
   0.30849295  0.12736069  0.66930225
   0.32624745  0.66785350  0.70989478
  -0.01647460  1.14240953  0.11367971
   0.20011662  1.06079966  0.03303183
   0.66153774  0.39738475  0.87684558
   0.92192852  0.46645567  0.66583950
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899025    0.577620   -0.140862
    -0.000000    9.829878   -0.025055
    -0.000000    0.000000   13.973935
   Si   O    H 
    32    64    10
Direct configuration=  1436
   0.16565955  0.16909577 -0.03696340
   0.37848105  0.06695232  0.37934764
   0.15835028  0.41571499  0.10119298
   0.38162172  0.33174769  0.25147353
   0.09363983  0.13669888  0.47915760
   0.43150844  0.12910088  0.85531887
   0.11935137  0.38520650  0.61553987
   0.36509098  0.37753883  0.75584336
   0.13477973  0.69827635 -0.01203411
   0.39276072  0.58339394  0.36656144
   0.06758393  0.90632870  0.15773552
   0.35995774  0.84091379  0.24503526
   0.16568624  0.65550386  0.50603795
   0.38328726  0.64465706  0.85577187
   0.04756180  0.91072850  0.61980548
   0.31825796  0.99449689  0.69714263
   0.65955631  0.14493616  1.01979661
   0.83482812  0.15331794  0.34828508
   0.60596374  0.43288035  0.12121868
   0.87460894  0.33451996  0.16646134
   0.62592520  0.17374092  0.50576198
   0.89444808  0.10706994  0.87310760
   0.59420333  0.43942971  0.63241484
   0.77063805  0.36553553  0.80710631
   0.62282741  0.67256378 -0.00499445
   0.91222032  0.57790656  0.38379086
   0.58211904  0.91368431  0.12672413
   0.81749676  0.84093938  0.26972800
   0.64875761  0.63306676  0.46907118
   0.87033022  0.61652005  0.89053940
   0.59891674  0.92561500  0.63269307
   0.81788475  0.86399464  0.76341017
   0.06182357  0.07796704  0.15364789
   0.36214213  0.17267910  0.28810714
   0.11490962  0.30760085  0.01901319
   0.33232038  0.43668616  0.33977587
   0.52669831  0.37824260  0.21161389
   0.29348340  0.34899785  0.15558565
   0.24141829  0.06800300  0.44891772
  -0.00893066  0.14857630  0.39450355
   0.01963330  0.03753333  0.55420159
   0.47576413  0.25435562  0.78551949
   0.13231501  0.27776185  0.53400516
   0.35260083  0.48109506  0.85389481
   0.45329688  0.47440237  0.68191035
   0.22900814  0.34514122  0.70229319
   0.29269728  0.21463458 -0.10067075
   0.04589092  0.14234104  0.88288287
   0.15674404  0.56545877  0.05578832
   0.37982236  0.67926209  0.26590582
   0.08926539  0.84185909  0.04667256
   0.42903656  0.92202582  0.33559515
   0.41622931  0.89842325  0.14098703
   0.18795977  0.86853626  0.23249939
   0.29704254  0.66835907  0.44434101
   0.04695174  0.64312515  0.43005944
   0.18662248  0.52189972  0.57201514
   0.36509467  0.72999791  0.75268225
   0.13531028  0.79861425  0.56723100
   0.38144253  0.99312371  0.81005719
   0.43653933  0.90933602  0.61471002
   0.15716495  0.95463730  0.70144119
   0.28180384  0.71207599 -0.06489037
   0.01364403  0.68760588  0.91332781
   0.62803947  0.06600800  0.11753793
   0.84667745  0.21235855  0.24201528
   0.62288833  0.30476764  0.04612031
   0.95955797  0.43222975  0.33696117
   0.02175372  0.40858843  0.17642326
   0.75645745  0.45071036  0.16523644
   0.71787503  0.23124461  0.41687640
   0.49189150  0.13528723  0.45005910
   0.66964560  0.04752338  0.57736332
   0.82655034  0.21140792  0.80047360
   0.58234199  0.30525471  0.56993107
   0.89746409  0.46058762  0.85514593
   0.97051214  0.37921135  0.65467096
   0.71733044  0.43528736  0.70563724
   0.80416275  0.11701209  0.97265312
   0.55487276  0.10964804  0.93356911
   0.55154711  0.56609175  0.06673524
   0.84210183  0.68481321  0.30966800
   0.62168246  0.83252802  0.02804653
   0.81128950  0.98402443  0.33656875
   0.90942128  0.86983515  0.18646161
   0.66779239  0.85124109  0.21624416
   0.79747741  0.56491099  0.46682438
   0.54415732  0.53564319  0.40229846
   0.60697381  0.60071769  0.57469034
   0.81032071  0.71115994  0.80197939
   0.63803766  0.78735787  0.42583479
   0.90117395  0.94457379  0.84040815
   0.90942477  0.86720596  0.66630547
   0.66055327  0.94142461  0.74611483
   0.77103887  0.62042233  0.98372955
   0.54049046  0.67059769  0.89441635
   0.65250394  0.79390823  0.59088111
   0.65290626  0.87463075  0.45367102
   0.90253068  0.24959530  0.08319942
   1.03671676  0.44207426  0.27184574
   0.30358342  0.12636972  0.66311278
   0.32757893  0.66293266  0.70845912
  -0.01148005  1.12460059  0.11046306
   0.20143382  1.06450187  0.03038941
   0.66823841  0.39797803  0.87333312
   0.91907170  0.46556825  0.66796231
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898498    0.577529   -0.142505
    -0.000000    9.830667   -0.024012
    -0.000000    0.000000   13.970371
   Si   O    H 
    32    64    10
Direct configuration=  1437
   0.16443681  0.16966970 -0.03603790
   0.37911784  0.06709661  0.37897036
   0.15710207  0.41613091  0.10158296
   0.38060036  0.33080224  0.25183271
   0.09397820  0.13552344  0.47806740
   0.43096445  0.12875076  0.85576261
   0.11794867  0.38507050  0.61519280
   0.36573988  0.37653958  0.75611430
   0.13657786  0.69897025 -0.01175760
   0.39039366  0.58282165  0.36610319
   0.06719665  0.90672982  0.15894189
   0.35913354  0.83931233  0.24406943
   0.16558822  0.65494835  0.50564650
   0.38311832  0.64412452  0.85539567
   0.04802936  0.91033458  0.62003472
   0.31639509  0.99303327  0.69733395
   0.65996604  0.14622476  1.01953797
   0.83492732  0.15245824  0.34779568
   0.60466999  0.43451340  0.12099754
   0.87459016  0.33410702  0.16619782
   0.62546444  0.17427691  0.50672759
   0.89340198  0.10812545  0.87312737
   0.59322330  0.44007042  0.63299828
   0.76940956  0.36611734  0.80752536
   0.62189766  0.67295738 -0.00488641
   0.91138440  0.57837819  0.38478162
   0.58272292  0.91276545  0.12669102
   0.81852806  0.84166217  0.26913355
   0.64816460  0.63358930  0.47005442
   0.86943541  0.61597521  0.89045467
   0.59932366  0.92468413  0.63228120
   0.81878894  0.86504552  0.76357786
   0.06173614  0.07928984  0.15356635
   0.36243318  0.17190792  0.28766191
   0.11570652  0.30718107  0.01929467
   0.33241906  0.43654068  0.34005905
   0.52797660  0.37766888  0.21237590
   0.29485413  0.34878610  0.15523742
   0.24085714  0.06827122  0.44819092
  -0.00904434  0.14988925  0.39576658
   0.02045663  0.03619759  0.55481759
   0.47569460  0.25511789  0.78494296
   0.13219870  0.27814724  0.53292052
   0.35323286  0.48189481  0.85305797
   0.45190704  0.47458406  0.68183595
   0.23062054  0.34652394  0.70207901
   0.29259072  0.21503981 -0.10184803
   0.04666302  0.14400869  0.88302587
   0.15706002  0.56400180  0.05617139
   0.37988135  0.67805760  0.26476476
   0.08942385  0.84007675  0.04724034
   0.43030032  0.91983937  0.33700338
   0.41498940  0.89777914  0.14058380
   0.18777417  0.86842849  0.23246694
   0.29801126  0.66966762  0.44369988
   0.04797563  0.64424275  0.43146677
   0.18672884  0.52294676  0.57174405
   0.36400208  0.73056593  0.75371337
   0.13686991  0.79847836  0.56746748
   0.38161576  0.99262698  0.81052172
   0.43476111  0.90912154  0.61443555
   0.15781787  0.95435514  0.70092450
   0.28111821  0.71211056 -0.06381108
   0.01281435  0.68765259  0.91280226
   0.62797759  0.06510350  0.11728798
   0.84463062  0.21170199  0.24152072
   0.62251166  0.30424319  0.04588447
   0.95790042  0.43182734  0.33731303
   0.02073930  0.40885000  0.17679369
   0.75602976  0.45111186  0.16389331
   0.71683830  0.22907631  0.41684170
   0.49165176  0.13423523  0.45156279
   0.66904694  0.04753318  0.57776444
   0.82878154  0.21121287  0.80047459
   0.58352935  0.30707445  0.56892141
   0.89766930  0.46050273  0.85566706
   0.97036806  0.37953237  0.65541687
   0.71959122  0.43471946  0.70454081
   0.80558514  0.11722796  0.97177660
   0.55287448  0.11122000  0.93390778
   0.55194345  0.56560981  0.06745173
   0.84234227  0.68560779  0.30937620
   0.62242058  0.83075013  0.02758643
   0.81246878  0.98531950  0.33646704
   0.91106343  0.87076752  0.18646611
   0.66766783  0.85218345  0.21590949
   0.79803074  0.56576139  0.46801270
   0.54232370  0.53828513  0.40217752
   0.60651320  0.60031523  0.57492808
   0.80991323  0.71089930  0.80128028
   0.63532457  0.78917427  0.42499635
   0.90256696  0.94431087  0.84035671
   0.90726878  0.86887498  0.66553984
   0.66063749  0.94153800  0.74565522
   0.77169045  0.61793922  0.98354991
   0.53975284  0.67021038  0.89518844
   0.65133710  0.79793510  0.58709837
   0.64800152  0.87529135  0.45693107
   0.89809116  0.24210147  0.08305252
   1.04037720  0.44489815  0.26811122
   0.30178230  0.13209444  0.65348859
   0.33228690  0.66087825  0.70443655
  -0.00338766  1.10470481  0.11133857
   0.20567596  1.06244610  0.02860331
   0.67171198  0.39585184  0.87139319
   0.91603752  0.46271963  0.66760009
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897439    0.577201   -0.144263
    -0.000000    9.831140   -0.022925
    -0.000000    0.000000   13.966842
   Si   O    H 
    32    64    10
Direct configuration=  1438
   0.16392233  0.17035124 -0.03529703
   0.38003365  0.06714682  0.37914661
   0.15567982  0.41599964  0.10225415
   0.37975056  0.33019916  0.25252857
   0.09395498  0.13440925  0.47706457
   0.43029464  0.12918528  0.85644371
   0.11705118  0.38519913  0.61543734
   0.36668443  0.37569674  0.75636976
   0.13812634  0.69958719 -0.01153018
   0.38833178  0.58249734  0.36607844
   0.06646031  0.90733358  0.15995703
   0.35808852  0.83823121  0.24331639
   0.16554368  0.65448999  0.50535251
   0.38351983  0.64410254  0.85509872
   0.04838869  0.90942362  0.62062683
   0.31507222  0.99134356  0.69699864
   0.66061128  0.14741295  1.01905570
   0.83493093  0.15136074  0.34718181
   0.60394942  0.43545660  0.12055640
   0.87541071  0.33336688  0.16590140
   0.62499919  0.17468755  0.50751351
   0.89257521  0.10875008  0.87304579
   0.59217565  0.44122508  0.63351159
   0.76877594  0.36691651  0.80748134
   0.62076923  0.67326737 -0.00454820
   0.91059087  0.57865236  0.38622204
   0.58297147  0.91120397  0.12678388
   0.81946059  0.84244035  0.26896632
   0.64789369  0.63399568  0.47045702
   0.86930649  0.61541728  0.89023717
   0.59975563  0.92354813  0.63189937
   0.81893409  0.86663431  0.76330303
   0.06295250  0.07901386  0.15353659
   0.36315591  0.17083678  0.28744882
   0.11659754  0.30729799  0.01937310
   0.33195448  0.43656230  0.33998650
   0.52903613  0.37616642  0.21370086
   0.29589175  0.34900492  0.15479532
   0.24104053  0.06754921  0.44723299
  -0.00930953  0.15174128  0.39619482
   0.02152063  0.03508712  0.55486495
   0.47591193  0.25555069  0.78409924
   0.13244860  0.27752463  0.53104830
   0.35407971  0.48311684  0.85223666
   0.45101617  0.47481348  0.68160493
   0.23145967  0.34770889  0.70213930
   0.29248545  0.21647828 -0.10251989
   0.04783770  0.14545637  0.88424843
   0.15792495  0.56216386  0.05608054
   0.38020508  0.67585579  0.26404614
   0.09073214  0.83825447  0.04806090
   0.43061403  0.91774181  0.33848670
   0.41409176  0.89753885  0.14114670
   0.18829255  0.86741697  0.23244107
   0.29913189  0.67071832  0.44321365
   0.04810861  0.64432148  0.43242887
   0.18670339  0.52382480  0.57182969
   0.36247712  0.73049494  0.75467613
   0.13839839  0.79725271  0.56678420
   0.38119670  0.99225385  0.81078330
   0.43312340  0.90976735  0.61440367
   0.15969644  0.95386349  0.70079366
   0.28038470  0.71206814 -0.06269668
   0.01170464  0.68801253  0.91255837
   0.62751499  0.06425065  0.11637166
   0.84222092  0.21105907  0.24169661
   0.62275634  0.30395815  0.04552186
   0.95563447  0.43186633  0.33774848
   0.02045812  0.40940429  0.17681557
   0.75531105  0.45252795  0.16280631
   0.71656532  0.22653923  0.41656823
   0.49122915  0.13394493  0.45336605
   0.66903176  0.04753910  0.57795273
   0.83062948  0.21135279  0.80019793
   0.58435422  0.30911793  0.56773255
   0.89732661  0.45994070  0.85692837
   0.96978996  0.37978713  0.65621529
   0.72268281  0.43363377  0.70400339
   0.80684985  0.11668180  0.97080591
   0.55105511  0.11293705  0.93421138
   0.55248940  0.56505972  0.06817640
   0.84267556  0.68662053  0.30856851
   0.62357663  0.82934089  0.02763691
   0.81269958  0.98602339  0.33645503
   0.91373656  0.87103422  0.18582525
   0.66806940  0.85186930  0.21626321
   0.79791976  0.56524225  0.46833094
   0.54077083  0.54135685  0.40231080
   0.60664890  0.59914827  0.57519531
   0.81008049  0.71000469  0.80033330
   0.63303791  0.79061606  0.42429611
   0.90366827  0.94475036  0.84035000
   0.90559668  0.86969157  0.66420373
   0.66168060  0.94190296  0.74561756
   0.77244375  0.61461717  0.98334040
   0.53867108  0.67014490  0.89582601
   0.65224681  0.79853274  0.58634624
   0.64535151  0.87350089  0.46134760
   0.88907822  0.23724410  0.08297437
   1.03642214  0.44568293  0.26806464
   0.29844157  0.13568803  0.64492381
   0.33746057  0.66392271  0.70481359
  -0.01714360  1.09223873  0.10330701
   0.21163998  1.05807891  0.02588574
   0.66866293  0.39459799  0.87571137
   0.91222320  0.46079310  0.66674500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896700    0.576138   -0.145965
    -0.000000    9.831686   -0.021568
    -0.000000    0.000000   13.963659
   Si   O    H 
    32    64    10
Direct configuration=  1439
   0.16320421  0.17124354 -0.03490425
   0.38081607  0.06769546  0.37957230
   0.15383188  0.41564729  0.10300929
   0.37856972  0.33024501  0.25312309
   0.09454889  0.13357484  0.47676386
   0.42988787  0.12945638  0.85758166
   0.11615734  0.38541677  0.61571612
   0.36739044  0.37561835  0.75715597
   0.13903031  0.70002842 -0.01160416
   0.38620689  0.58252012  0.36576670
   0.06540868  0.90794859  0.16063168
   0.35714734  0.83689359  0.24292134
   0.16550874  0.65377757  0.50538862
   0.38396124  0.64450140  0.85477227
   0.04810606  0.90871504  0.62139640
   0.31396382  0.98971156  0.69680630
   0.66062042  0.14823960  1.01897615
   0.83566134  0.15025577  0.34651165
   0.60333458  0.43479227  0.12025777
   0.87622380  0.33306282  0.16551897
   0.62478889  0.17510239  0.50813234
   0.89166197  0.10931079  0.87290600
   0.59125899  0.44229671  0.63364454
   0.76821999  0.36757435  0.80681444
   0.61977127  0.67351434 -0.00420340
   0.91049444  0.57866109  0.38759654
   0.58269360  0.90947292  0.12663117
   0.82024923  0.84314175  0.26936373
   0.64718084  0.63467460  0.47065554
   0.86977700  0.61553112  0.89020947
   0.60027187  0.92229976  0.63178072
   0.81927745  0.86840648  0.76305724
   0.06416544  0.07910722  0.15304748
   0.36460425  0.17004381  0.28699583
   0.11723770  0.30823219  0.01955708
   0.33127511  0.43573770  0.33918891
   0.53010501  0.37610028  0.21545755
   0.29628168  0.35040315  0.15385757
   0.24176672  0.06690501  0.44598668
  -0.00983942  0.15376238  0.39600328
   0.02161235  0.03441411  0.55468379
   0.47659412  0.25533811  0.78348723
   0.13269108  0.27587089  0.52959975
   0.35463115  0.48383253  0.85199465
   0.45025064  0.47566844  0.68161436
   0.23128757  0.34841089  0.70159467
   0.29214221  0.21671899 -0.10333038
   0.04864142  0.14621734  0.88653569
   0.15767221  0.56136536  0.05604832
   0.38040163  0.67366211  0.26383118
   0.09278120  0.83751312  0.04964357
   0.43034150  0.91636342  0.33929564
   0.41381987  0.89706549  0.14220798
   0.18902807  0.86715290  0.23216301
   0.29903896  0.67235883  0.44266641
   0.04743475  0.64462611  0.43260428
   0.18589428  0.52377629  0.57249839
   0.36127043  0.72979950  0.75547869
   0.13991034  0.79625591  0.56632300
   0.38092250  0.99104728  0.81025873
   0.43126698  0.91106979  0.61498196
   0.16144106  0.95325849  0.70066910
   0.27992503  0.71151853 -0.06176886
   0.01083895  0.68762442  0.91304832
   0.62684326  0.06455674  0.11497249
   0.84034311  0.21123409  0.24182134
   0.62247315  0.30335302  0.04554095
   0.95429668  0.43224328  0.33847047
   0.02127210  0.41038063  0.17710425
   0.75538115  0.45365315  0.16180526
   0.71714436  0.22442494  0.41617798
   0.49067429  0.13280089  0.45410132
   0.66969646  0.04800002  0.57742133
   0.83218147  0.21134615  0.79921798
   0.58541776  0.31038499  0.56661556
   0.89744983  0.45909128  0.85776607
   0.96886969  0.38009069  0.65675534
   0.72491502  0.43264378  0.70302837
   0.80773821  0.11521019  0.97021444
   0.54875750  0.11410732  0.93398679
   0.55289028  0.56558502  0.06877751
   0.84259356  0.68817436  0.30818816
   0.62523488  0.82915297  0.02744117
   0.81298040  0.98619492  0.33713375
   0.91646187  0.87161780  0.18454524
   0.66963660  0.85118831  0.21603548
   0.79888368  0.56400547  0.46828028
   0.53934626  0.54474879  0.40256638
   0.60604537  0.59792332  0.57578709
   0.81064433  0.70855923  0.79951703
   0.63124030  0.79177523  0.42422515
   0.90491760  0.94491298  0.84045539
   0.90356472  0.86979830  0.66344552
   0.66262865  0.94224317  0.74531298
   0.77363827  0.61189325  0.98321136
   0.53704247  0.66925278  0.89644566
   0.65486746  0.79902699  0.58445652
   0.64059926  0.86924760  0.46592273
   0.88035137  0.23650943  0.08185286
   1.02797267  0.44582979  0.27282355
   0.29637591  0.13386120  0.63891272
   0.34558971  0.66827065  0.70507430
  -0.02122651  1.08195565  0.10055802
   0.21953255  1.05227419  0.02238148
   0.66324550  0.39202436  0.87915607
   0.90852503  0.45628022  0.66498644
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896223    0.575164   -0.148057
    -0.000000    9.831887   -0.020770
    -0.000000    0.000000   13.960574
   Si   O    H 
    32    64    10
Direct configuration=  1440
   0.16266818  0.17219514 -0.03462567
   0.38195933  0.06825597  0.37988340
   0.15224926  0.41518898  0.10382907
   0.37786585  0.32981091  0.25311500
   0.09523068  0.13233431  0.47710365
   0.42961099  0.12984775  0.85830231
   0.11553139  0.38587538  0.61602947
   0.36756723  0.37631877  0.75779570
   0.14011467  0.70002149 -0.01208661
   0.38451276  0.58279009  0.36536740
   0.06498940  0.90882965  0.16116499
   0.35627358  0.83616834  0.24260105
   0.16573448  0.65345163  0.50526893
   0.38447314  0.64538391  0.85449184
   0.04820102  0.90813571  0.62199831
   0.31298144  0.98833625  0.69652373
   0.66014600  0.14938629  1.01877201
   0.83649221  0.14935389  0.34599259
   0.60237732  0.43361380  0.12053201
   0.87721213  0.33230087  0.16553073
   0.62448229  0.17584213  0.50846164
   0.89160897  0.10979072  0.87286964
   0.59067727  0.44389357  0.63390300
   0.76819993  0.36857506  0.80641409
   0.61847329  0.67307653 -0.00399608
   0.91050468  0.57878760  0.38893156
   0.58235829  0.90841305  0.12689942
   0.82079389  0.84337707  0.27012512
   0.64605716  0.63601677  0.47033668
   0.86965047  0.61520720  0.88991067
   0.60054959  0.92129811  0.63187997
   0.81967083  0.86895602  0.76249288
   0.06509985  0.07852404  0.15230856
   0.36551973  0.17014120  0.28635345
   0.11801107  0.30881908  0.01965564
   0.33024059  0.43431735  0.33904810
   0.53118018  0.37555769  0.21729491
   0.29525312  0.35143508  0.15299659
   0.24394195  0.06670813  0.44480843
  -0.01179037  0.15579253  0.39530806
   0.02119857  0.03398251  0.55419345
   0.47659048  0.25431096  0.78311638
   0.13301633  0.27396166  0.52821077
   0.35529604  0.48355963  0.85129543
   0.45001480  0.47518953  0.68197744
   0.23128398  0.34977799  0.70102609
   0.29161279  0.21616162 -0.10344132
   0.04893589  0.14689004  0.88902318
   0.15720325  0.56132312  0.05592591
   0.38001282  0.67128294  0.26400866
   0.09468126  0.83741440  0.05111474
   0.42971186  0.91545272  0.33939767
   0.41450577  0.89593195  0.14304216
   0.19004029  0.86584399  0.23157870
   0.29859712  0.67326029  0.44152148
   0.04647949  0.64517160  0.43260351
   0.18446037  0.52371661  0.57272247
   0.36032979  0.72909652  0.75617053
   0.14224769  0.79408477  0.56583142
   0.38064369  0.98967516  0.80956183
   0.42993194  0.91263713  0.61547930
   0.16352340  0.95229713  0.70089142
   0.27956337  0.71221366 -0.06123269
   0.00986528  0.68697846  0.91345428
   0.62644281  0.06464219  0.11394218
   0.83891522  0.21117652  0.24165854
   0.62251296  0.30338473  0.04529176
   0.95306905  0.43249519  0.33828866
   0.02238616  0.41214780  0.17684654
   0.75595707  0.45399220  0.16112523
   0.71838727  0.22161116  0.41607221
   0.48978341  0.13104324  0.45486266
   0.67013413  0.04841327  0.57628095
   0.83264336  0.21219913  0.79805228
   0.58708387  0.31199254  0.56530583
   0.89725359  0.45816908  0.85840108
   0.96858231  0.38062439  0.65730014
   0.72686410  0.43225517  0.70180449
   0.80806335  0.11433759  0.96910579
   0.54702386  0.11497036  0.93382850
   0.55257738  0.56784711  0.06907508
   0.84304467  0.68900255  0.30797196
   0.62690743  0.82973630  0.02812377
   0.81309689  0.98672347  0.33747684
   0.91898451  0.87192520  0.18348172
   0.67124606  0.85018759  0.21616882
   0.79974839  0.56281103  0.46815813
   0.53824453  0.54817345  0.40222549
   0.60550465  0.59647929  0.57714947
   0.81094711  0.70754895  0.79818149
   0.62942264  0.79300944  0.42394250
   0.90523039  0.94551496  0.84076182
   0.90136415  0.86956691  0.66298260
   0.66315745  0.94298271  0.74527505
   0.77499680  0.61006162  0.98289580
   0.53542459  0.66814842  0.89690921
   0.65888561  0.79828473  0.58533185
   0.63284614  0.86596681  0.47122688
   0.86984287  0.24110273  0.08106753
   1.01368648  0.44101231  0.28406339
   0.30122904  0.12591518  0.63614157
   0.34915680  0.66765081  0.70076716
  -0.01283166  1.07808104  0.10573074
   0.22420698  1.04966044  0.02019734
   0.65721401  0.38867745  0.88168099
   0.89969374  0.45588676  0.66488325
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895518    0.574070   -0.150301
    -0.000000    9.832215   -0.019645
    -0.000000    0.000000   13.957375
   Si   O    H 
    32    64    10
Direct configuration=  1441
   0.16337206  0.17265819 -0.03420298
   0.38198983  0.06885774  0.38050913
   0.15063057  0.41531153  0.10428762
   0.37790090  0.32956571  0.25318168
   0.09605151  0.13123083  0.47748960
   0.42935312  0.13068299  0.85863240
   0.11522251  0.38612897  0.61606339
   0.36800461  0.37728161  0.75849861
   0.14081449  0.70005904 -0.01205164
   0.38355125  0.58310713  0.36510800
   0.06551939  0.90913081  0.16140639
   0.35548161  0.83531654  0.24276124
   0.16557216  0.65342392  0.50555858
   0.38510056  0.64560514  0.85491325
   0.04869793  0.90756130  0.62217749
   0.31288614  0.98766853  0.69626773
   0.65957448  0.15070272  1.01860261
   0.83696889  0.14860454  0.34603638
   0.60107769  0.43232445  0.12099925
   0.87803291  0.33102145  0.16574008
   0.62486319  0.17604877  0.50841363
   0.89173908  0.11015825  0.87294875
   0.58997792  0.44528767  0.63339350
   0.76888880  0.36898067  0.80623436
   0.61766604  0.67236600 -0.00384386
   0.91048404  0.57881709  0.39005085
   0.58150865  0.90780320  0.12682950
   0.82063595  0.84349792  0.27090604
   0.64481344  0.63762762  0.46980074
   0.86933504  0.61462099  0.88989180
   0.59983739  0.92061627  0.63200647
   0.81957001  0.86923919  0.76192163
   0.06600188  0.07786312  0.15104380
   0.36614367  0.17120897  0.28556100
   0.11882432  0.30879556  0.01972308
   0.32884522  0.43247479  0.33904423
   0.53112014  0.37580556  0.21885334
   0.29400368  0.35262418  0.15307374
   0.24544862  0.06589034  0.44366771
  -0.01393151  0.15807900  0.39469519
   0.02110431  0.03282463  0.55299958
   0.47654691  0.25268537  0.78276240
   0.13333069  0.27237454  0.52647612
   0.35571981  0.48337929  0.85030780
   0.44936787  0.47549090  0.68304128
   0.23012739  0.35072882  0.70130567
   0.29100602  0.21547442 -0.10313139
   0.04877856  0.14725050  0.89064463
   0.15617770  0.56179802  0.05520448
   0.37952451  0.66964192  0.26391985
   0.09682018  0.83704429  0.05309150
   0.42853912  0.91412808  0.33878645
   0.41488110  0.89446050  0.14380525
   0.19047760  0.86479220  0.23071761
   0.29774797  0.67358362  0.44064406
   0.04467488  0.64636403  0.43186649
   0.18296270  0.52327176  0.57303777
   0.35933624  0.72821444  0.75646914
   0.14425469  0.79125303  0.56551634
   0.38062756  0.98881274  0.80888607
   0.42902558  0.91356103  0.61654200
   0.16533490  0.95085179  0.70109859
   0.27989331  0.71245469 -0.06110160
   0.00903537  0.68570971  0.91384195
   0.62569512  0.06471455  0.11337177
   0.83735119  0.21144379  0.24122676
   0.62278445  0.30396698  0.04504947
   0.95141254  0.43327647  0.33831874
   0.02391230  0.41326237  0.17635644
   0.75628168  0.45354698  0.16055222
   0.71991390  0.21990625  0.41615163
   0.48863766  0.12994362  0.45503543
   0.67091554  0.04837120  0.57534760
   0.83162137  0.21386756  0.79741830
   0.58935101  0.31322557  0.56469174
   0.89698230  0.45655726  0.85866782
   0.96805949  0.38080531  0.65745768
   0.72823726  0.43219451  0.70116393
   0.80817268  0.11342096  0.96870717
   0.54508454  0.11561268  0.93345190
   0.55202840  0.57047591  0.06920079
   0.84310044  0.68947666  0.30798803
   0.62778727  0.83071933  0.02862399
   0.81303118  0.98667001  0.33759933
   0.92170749  0.87247981  0.18215129
   0.67251279  0.84945157  0.21682089
   0.80012751  0.56118761  0.46851427
   0.53799671  0.55148204  0.40202075
   0.60499851  0.59438111  0.57843896
   0.81145402  0.70753170  0.79763267
   0.62844092  0.79321425  0.42389866
   0.90580173  0.94623498  0.84148596
   0.89927665  0.86917530  0.66276457
   0.66398846  0.94296830  0.74515407
   0.77572591  0.60803943  0.98276588
   0.53340653  0.66746543  0.89745950
   0.66903454  0.79997853  0.58888827
   0.62614005  0.86315997  0.47203898
   0.85955025  0.24640490  0.07992913
   1.00207460  0.43492402  0.29281826
   0.30635145  0.11457613  0.63952142
   0.35158091  0.66620208  0.69766624
  -0.00227663  1.08053707  0.11193375
   0.22242830  1.04777741  0.01697366
   0.65426203  0.38744906  0.88042942
   0.89486025  0.45471038  0.66335710
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894867    0.573163   -0.152473
    -0.000000    9.832582   -0.019120
    -0.000000    0.000000   13.954153
   Si   O    H 
    32    64    10
Direct configuration=  1442
   0.16479085  0.17260987 -0.03391485
   0.38238964  0.06884640  0.38088824
   0.14909982  0.41521420  0.10469439
   0.37864221  0.32951122  0.25363591
   0.09651177  0.13080282  0.47778827
   0.42892473  0.13246912  0.85876225
   0.11574241  0.38618243  0.61596407
   0.36912468  0.37831544  0.75901617
   0.14144417  0.70075388 -0.01167256
   0.38303715  0.58343885  0.36479116
   0.06661118  0.90964984  0.16153184
   0.35407545  0.83380303  0.24305553
   0.16510247  0.65375323  0.50567209
   0.38500527  0.64576308  0.85580433
   0.04962463  0.90688329  0.62277603
   0.31331279  0.98746184  0.69584711
   0.65889970  0.15187576  1.01794502
   0.83706444  0.14737723  0.34624699
   0.60008382  0.43144387  0.12158026
   0.87817259  0.32992076  0.16583947
   0.62479977  0.17614580  0.50831179
   0.89245739  0.11025505  0.87323939
   0.58978057  0.44706585  0.63260344
   0.76931113  0.36970171  0.80593136
   0.61719964  0.67186998 -0.00364756
   0.91057806  0.57955961  0.39121551
   0.58014889  0.90677542  0.12635734
   0.82086238  0.84359270  0.27144215
   0.64333160  0.63886007  0.46891822
   0.86916491  0.61441824  0.89019630
   0.59983270  0.92000602  0.63177535
   0.81857506  0.86890136  0.76155505
   0.06866832  0.07624308  0.15046837
   0.36619968  0.17203733  0.28516186
   0.11873843  0.30922251  0.02049222
   0.32783649  0.43191689  0.33960127
   0.53150184  0.37663696  0.22001341
   0.29208158  0.35377267  0.15286240
   0.24607863  0.06424403  0.44252274
  -0.01598705  0.16032122  0.39413216
   0.02105676  0.03200808  0.55183761
   0.47661866  0.24977459  0.78191024
   0.13348837  0.27184132  0.52514047
   0.35521979  0.48292152  0.84950439
   0.44895537  0.47604950  0.68379743
   0.22936511  0.35080308  0.70134918
   0.29029453  0.21515176 -0.10265451
   0.04831581  0.14774334  0.89150823
   0.15506287  0.56161266  0.05467474
   0.37896752  0.66870238  0.26381561
   0.09892804  0.83633999  0.05419466
   0.42764682  0.91384677  0.33815667
   0.41513762  0.89401210  0.14429403
   0.19038184  0.86352659  0.23000009
   0.29735218  0.67378279  0.43987068
   0.04337776  0.64732837  0.43068107
   0.18114505  0.52202440  0.57343456
   0.35834553  0.72728157  0.75680619
   0.14525280  0.78858425  0.56566644
   0.38042576  0.98870303  0.80798874
   0.42893833  0.91383617  0.61790544
   0.16575181  0.95018405  0.70151655
   0.28006003  0.71250198 -0.06101961
   0.00901877  0.68470825  0.91486541
   0.62482872  0.06476825  0.11290716
   0.83612233  0.21183986  0.24023481
   0.62337961  0.30449298  0.04486897
   0.94849619  0.43447509  0.33976342
   0.02485540  0.41335597  0.17615607
   0.75711601  0.45333463  0.15958145
   0.72196761  0.21726633  0.41655714
   0.48774496  0.12890983  0.45577535
   0.67111125  0.04837955  0.57467965
   0.83059035  0.21614705  0.79634938
   0.59163121  0.31461857  0.56401737
   0.89629990  0.45558811  0.85798359
   0.96760741  0.38124509  0.65779832
   0.72989348  0.43116606  0.70034378
   0.80767642  0.11268618  0.96894877
   0.54432700  0.11608080  0.93306417
   0.55127471  0.57345539  0.06951816
   0.84388981  0.68939641  0.30833963
   0.62785494  0.83164103  0.02939054
   0.81245131  0.98641942  0.33761366
   0.92329748  0.87177184  0.18159141
   0.67404348  0.84865385  0.21744541
   0.80030096  0.55989314  0.46871497
   0.53803737  0.55434778  0.40195958
   0.60388140  0.59188057  0.57962052
   0.81247106  0.70832439  0.79735735
   0.62825521  0.79227077  0.42413032
   0.90717011  0.94784490  0.84266241
   0.89738011  0.86799204  0.66227366
   0.66484326  0.94217180  0.74485545
   0.77595649  0.60639747  0.98265253
   0.53103900  0.66624727  0.89792722
   0.67584657  0.80354565  0.59187734
   0.62011359  0.86641307  0.47380927
   0.85278082  0.25285214  0.07948938
   1.01686675  0.43059067  0.28008276
   0.31123147  0.10448097  0.64711114
   0.35294649  0.66627841  0.69858530
  -0.01913056  1.09062057  0.10477654
   0.22043375  1.05079638  0.01271200
   0.65272852  0.38486771  0.87615475
   0.89617741  0.44741056  0.65907878
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893906    0.572520   -0.154036
    -0.000000    9.833161   -0.018046
    -0.000000    0.000000   13.950632
   Si   O    H 
    32    64    10
Direct configuration=  1443
   0.16611118  0.17342086 -0.03363353
   0.38331456  0.06898643  0.38141447
   0.14793920  0.41534755  0.10507841
   0.37951699  0.32950278  0.25400319
   0.09778828  0.13056616  0.47841279
   0.42842220  0.13375922  0.85874510
   0.11681553  0.38634857  0.61605817
   0.37012569  0.37956060  0.75892371
   0.14121535  0.70135299 -0.01107915
   0.38281576  0.58391697  0.36460348
   0.06787752  0.90981891  0.16110832
   0.35291638  0.83191007  0.24308514
   0.16389290  0.65354744  0.50595350
   0.38505848  0.64521087  0.85706076
   0.05033123  0.90669007  0.62320996
   0.31448585  0.98697542  0.69555632
   0.65753024  0.15297656  1.01696229
   0.83658066  0.14620974  0.34704158
   0.59933984  0.43040550  0.12181735
   0.87803078  0.32890968  0.16602425
   0.62457773  0.17669254  0.50783707
   0.89372204  0.11006569  0.87341254
   0.58972002  0.44850130  0.63194390
   0.77018998  0.37018031  0.80577588
   0.61724777  0.67181797 -0.00401466
   0.91066997  0.58016042  0.39206471
   0.57900886  0.90656496  0.12612934
   0.82042044  0.84339959  0.27199210
   0.64232400  0.63960264  0.46794679
   0.86966091  0.61425536  0.89057663
   0.59976295  0.91961886  0.63147113
   0.81788777  0.86836209  0.76098529
   0.07040037  0.07496787  0.14969745
   0.36657410  0.17277956  0.28537482
   0.11838728  0.30934200  0.02165634
   0.32745810  0.43133918  0.34022810
   0.53133197  0.37738695  0.22130981
   0.29105762  0.35442405  0.15277244
   0.24625720  0.06311055  0.44166902
  -0.01636431  0.16168591  0.39355217
   0.02059175  0.03161550  0.55057968
   0.47657792  0.24753493  0.78089849
   0.13377000  0.27174337  0.52392644
   0.35431066  0.48293650  0.84895441
   0.44863002  0.47651913  0.68480955
   0.22907721  0.35078924  0.70129981
   0.28961820  0.21497614 -0.10190752
   0.04687303  0.14818209  0.89243167
   0.15415652  0.56108189  0.05452499
   0.37868268  0.66786287  0.26422281
   0.10121630  0.83590146  0.05476356
   0.42562875  0.91346371  0.33708481
   0.41646294  0.89313734  0.14486949
   0.19087374  0.86266040  0.22890119
   0.29700858  0.67375146  0.43892938
   0.04079569  0.64816754  0.42976795
   0.17951498  0.52147181  0.57330168
   0.35827764  0.72691969  0.75687420
   0.14596118  0.78610261  0.56571544
   0.38071574  0.98843369  0.80722813
   0.43037845  0.91301565  0.62002552
   0.16485681  0.94955297  0.70172643
   0.28011902  0.71333465 -0.06151349
   0.00947251  0.68340770  0.91545931
   0.62356466  0.06463265  0.11245012
   0.83572811  0.21211414  0.23908554
   0.62305723  0.30611119  0.04429137
   0.94589642  0.43536086  0.34062870
   0.02530429  0.41226307  0.17623536
   0.75835910  0.45312635  0.15909034
   0.72386960  0.21428195  0.41727071
   0.48710519  0.12755782  0.45686412
   0.67132694  0.04838036  0.57352154
   0.82893649  0.21788311  0.79515613
   0.59334606  0.31654634  0.56383356
   0.89530713  0.45407114  0.85715387
   0.96762173  0.38133130  0.65842621
   0.73068551  0.43110524  0.70003704
   0.80604024  0.11153972  0.96974998
   0.54468599  0.11561190  0.93329520
   0.55015058  0.57523322  0.07054505
   0.84498678  0.68993485  0.30877062
   0.62849537  0.83270321  0.03063768
   0.81193085  0.98551258  0.33730528
   0.92391070  0.87111277  0.18172528
   0.67516252  0.84759439  0.21826853
   0.79990534  0.55885135  0.46939454
   0.53823715  0.55749466  0.40234837
   0.60230207  0.59089378  0.58033926
   0.81407488  0.70902393  0.79683935
   0.62826035  0.79142113  0.42429205
   0.90790370  0.94986387  0.84333266
   0.89595621  0.86725216  0.66182082
   0.66592240  0.94185686  0.74432497
   0.77536170  0.60613327  0.98251712
   0.52947295  0.66617602  0.89842227
   0.68558137  0.80573921  0.59468039
   0.61858212  0.86868539  0.47260650
   0.85203152  0.25915965  0.07921993
   1.02387172  0.43240947  0.27438616
   0.31584342  0.10835512  0.65170001
   0.35521582  0.66774265  0.70300949
  -0.02661688  1.09955298  0.10286967
   0.21902827  1.05559405  0.01122220
   0.65448938  0.38305169  0.87084142
   0.89069631  0.44514458  0.65303262
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892857    0.572080   -0.155728
    -0.000000    9.833893   -0.017509
    -0.000000    0.000000   13.947261
   Si   O    H 
    32    64    10
Direct configuration=  1444
   0.16714189  0.17443636 -0.03367598
   0.38412000  0.06903367  0.38186040
   0.14718624  0.41554941  0.10524167
   0.38020155  0.32965450  0.25431516
   0.09823856  0.13005622  0.47873320
   0.42833983  0.13555219  0.85891778
   0.11767474  0.38649849  0.61635237
   0.37100987  0.38117029  0.75875126
   0.14064724  0.70126895 -0.01051808
   0.38247783  0.58402189  0.36422175
   0.06980659  0.91083661  0.15985288
   0.35199711  0.83017852  0.24337399
   0.16345107  0.65326249  0.50610843
   0.38476832  0.64468351  0.85789159
   0.05128999  0.90657679  0.62345064
   0.31627432  0.98602061  0.69537859
   0.65610824  0.15293458  1.01555930
   0.83621589  0.14520530  0.34740213
   0.59900112  0.42883157  0.12209586
   0.87757809  0.32796144  0.16599814
   0.62403015  0.17730098  0.50714418
   0.89465637  0.11025482  0.87341666
   0.59005837  0.44957621  0.63141241
   0.77056314  0.37072959  0.80587618
   0.61733018  0.67253236 -0.00415796
   0.91137597  0.58088429  0.39199276
   0.57773415  0.90606090  0.12627184
   0.82028082  0.84315147  0.27256618
   0.64174868  0.64013528  0.46710603
   0.87036532  0.61392004  0.89055215
   0.59953194  0.91942769  0.63122511
   0.81675981  0.86763469  0.76080731
   0.07041277  0.07420608  0.14839677
   0.36639097  0.17335094  0.28593319
   0.11773605  0.30859217  0.02223208
   0.32724757  0.43091360  0.34050490
   0.53083261  0.37814806  0.22294098
   0.29025470  0.35478670  0.15242254
   0.24626019  0.06238462  0.44114691
  -0.01558044  0.16304231  0.39327764
   0.01969511  0.03168602  0.54953499
   0.47651563  0.24619719  0.77990362
   0.13390741  0.27162001  0.52359332
   0.35364520  0.48354078  0.84892041
   0.44900784  0.47751192  0.68579305
   0.23004420  0.34964018  0.70183763
   0.28851658  0.21574960 -0.10130293
   0.04585151  0.14780195  0.89230383
   0.15397898  0.56087309  0.05407087
   0.37873639  0.66742094  0.26482111
   0.10405629  0.83482876  0.05562094
   0.42420280  0.91330987  0.33602310
   0.41835323  0.89230544  0.14576193
   0.19267201  0.86041852  0.22810345
   0.29618119  0.67437100  0.43774146
   0.03945888  0.64781103  0.42870593
   0.17750999  0.52082925  0.57288155
   0.35809760  0.72684544  0.75773340
   0.14721580  0.78424202  0.56691870
   0.38113336  0.98838546  0.80673658
   0.43183036  0.91199782  0.62159740
   0.16413443  0.94887863  0.70215708
   0.28015165  0.71320620 -0.06187471
   0.00966851  0.68229015  0.91644055
   0.62236022  0.06445828  0.11195516
   0.83642725  0.21240994  0.23818748
   0.62172840  0.30816171  0.04340042
   0.94403974  0.43648956  0.34141576
   0.02544708  0.41060601  0.17638481
   0.75967797  0.45327602  0.15867896
   0.72538400  0.21123662  0.41842765
   0.48700010  0.12647595  0.45762261
   0.67140402  0.04907981  0.57237196
   0.82867805  0.21872465  0.79303394
   0.59449448  0.31871837  0.56336646
   0.89411727  0.45274738  0.85666919
   0.96764753  0.38195033  0.65829422
   0.73125095  0.43140625  0.70031337
   0.80330783  0.11055630  0.97067788
   0.54645975  0.11512297  0.93369461
   0.54910478  0.57609150  0.07151044
   0.84659563  0.68971049  0.30932788
   0.62831930  0.83311864  0.03130967
   0.81058152  0.98366028  0.33744290
   0.92377763  0.87011997  0.18199675
   0.67614321  0.84740021  0.21874291
   0.79811272  0.55875786  0.47009672
   0.53881698  0.56001529  0.40305480
   0.60103744  0.59151598  0.58091981
   0.81491258  0.70882056  0.79663802
   0.62806451  0.79182288  0.42469178
   0.90821336  0.95148870  0.84386531
   0.89589276  0.86666167  0.66094407
   0.66690917  0.94091159  0.74386230
   0.77422668  0.60653009  0.98187947
   0.52861009  0.66644093  0.89930777
   0.69299475  0.80743085  0.59765618
   0.61622074  0.86599476  0.46850184
   0.85435821  0.26347725  0.07484128
   1.02155472  0.43780804  0.27705752
   0.31704691  0.12050548  0.65454839
   0.35622723  0.66559302  0.70312784
  -0.01877342  1.10764508  0.10775673
   0.21939123  1.05258550  0.01073786
   0.65367465  0.38120464  0.86671823
   0.88529618  0.43927813  0.64923943
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891740    0.571642   -0.157545
    -0.000000    9.834681   -0.016791
    -0.000000    0.000000   13.944360
   Si   O    H 
    32    64    10
Direct configuration=  1445
   0.16836225  0.17594120 -0.03376566
   0.38503387  0.06877621  0.38222551
   0.14718370  0.41583447  0.10586672
   0.38002303  0.33022835  0.25417633
   0.09901687  0.12974568  0.47852654
   0.42802723  0.13693670  0.85854029
   0.11769244  0.38643638  0.61637393
   0.37155732  0.38234776  0.75803041
   0.14013171  0.70065039 -0.01016554
   0.38262452  0.58412732  0.36394649
   0.07201456  0.91195756  0.15901961
   0.35194313  0.82880785  0.24389837
   0.16320071  0.65264625  0.50572528
   0.38338023  0.64451388  0.85865161
   0.05187762  0.90685626  0.62370517
   0.31813648  0.98536798  0.69517946
   0.65458045  0.15271576  1.01427329
   0.83637970  0.14426719  0.34722247
   0.59912037  0.42771907  0.12223395
   0.87743600  0.32712408  0.16567834
   0.62294076  0.17753914  0.50666461
   0.89518910  0.11013159  0.87350682
   0.59046697  0.45099517  0.63086023
   0.77080258  0.37136183  0.80595005
   0.61753978  0.67346110 -0.00420895
   0.91172196  0.58136518  0.39159819
   0.57618399  0.90590332  0.12693306
   0.82036643  0.84278939  0.27334781
   0.64090039  0.64041424  0.46651262
   0.87099058  0.61333950  0.89050749
   0.59876983  0.91970302  0.63151235
   0.81621478  0.86661208  0.76097518
   0.07032515  0.07336652  0.14704152
   0.36629326  0.17254839  0.28628075
   0.11738629  0.30745380  0.02221665
   0.32703246  0.42963658  0.34042692
   0.53076597  0.37992590  0.22435070
   0.28989744  0.35507259  0.15245340
   0.24501832  0.06152975  0.44066469
  -0.01417605  0.16495717  0.39259785
   0.01896615  0.03117264  0.54835038
   0.47596005  0.24454093  0.77885944
   0.13392605  0.27165503  0.52370631
   0.35335388  0.48432239  0.84886521
   0.44917941  0.47877386  0.68671839
   0.23043305  0.34858389  0.70242150
   0.28771975  0.21688174 -0.10076288
   0.04427940  0.14879304  0.89216634
   0.15398750  0.56064591  0.05339399
   0.37858702  0.66621502  0.26518022
   0.10655205  0.83403375  0.05633811
   0.42235901  0.91383309  0.33495534
   0.42041162  0.89105739  0.14613032
   0.19412693  0.85881495  0.22727568
   0.29490489  0.67486805  0.43715532
   0.03870250  0.64760774  0.42794049
   0.17509009  0.52134471  0.57219889
   0.35752236  0.72650101  0.75829109
   0.14770920  0.78334854  0.56868178
   0.38088225  0.98900076  0.80651322
   0.43361805  0.91166216  0.62305471
   0.16258053  0.94840734  0.70295269
   0.28045726  0.71299454 -0.06272725
   0.01041668  0.68104879  0.91760755
   0.62131419  0.06395070  0.11109286
   0.83696346  0.21203797  0.23795816
   0.62038410  0.31144112  0.04260349
   0.94326654  0.43666689  0.34195023
   0.02560429  0.40863926  0.17666427
   0.76118695  0.45302165  0.15829036
   0.72630449  0.20767811  0.41907914
   0.48708374  0.12474744  0.45806679
   0.67121734  0.04972306  0.57114559
   0.82882811  0.21804894  0.79101940
   0.59511805  0.32125079  0.56275177
   0.89249245  0.45200077  0.85606652
   0.96756897  0.38315867  0.65801189
   0.73125105  0.43221546  0.70023788
   0.80034486  0.10985251  0.97178862
   0.54824913  0.11430944  0.93447165
   0.54749343  0.57646034  0.07312861
   0.84894659  0.68952867  0.30982700
   0.62811488  0.83258324  0.03201922
   0.80944713  0.98067662  0.33714471
   0.92374800  0.86817760  0.18272000
   0.67588284  0.84680044  0.21937969
   0.79661104  0.55869678  0.47095571
   0.53930155  0.56214631  0.40394240
   0.60028154  0.59262861  0.58114780
   0.81516081  0.70906073  0.79656522
   0.62808858  0.79192502  0.42538608
   0.90775456  0.95378211  0.84392947
   0.89633700  0.86596885  0.66016898
   0.66824120  0.94015918  0.74275557
   0.77257328  0.60714251  0.98103475
   0.52924545  0.66679035  0.90041353
   0.69863119  0.80755448  0.59854681
   0.61257466  0.86638048  0.46366615
   0.85990844  0.26440341  0.07072354
   1.01191621  0.43881148  0.28571881
   0.31835076  0.13473364  0.65780551
   0.36105597  0.66356483  0.70482860
   0.00132451  1.11286635  0.11636654
   0.22020177  1.04862400  0.01420768
   0.65588635  0.37855573  0.86519254
   0.87893170  0.43399017  0.64599090
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890587    0.571587   -0.159250
    -0.000000    9.835603   -0.016154
    -0.000000    0.000000   13.941503
   Si   O    H 
    32    64    10
Direct configuration=  1446
   0.16903528  0.17687584 -0.03372485
   0.38565926  0.06870044  0.38242763
   0.14669420  0.41606101  0.10615158
   0.37941661  0.33076432  0.25385858
   0.10013163  0.12962998  0.47790114
   0.42766279  0.13872034  0.85837123
   0.11744442  0.38571692  0.61601364
   0.37144140  0.38327237  0.75746655
   0.14017266  0.70031079 -0.00972681
   0.38307462  0.58370609  0.36327705
   0.07445629  0.91259687  0.15780490
   0.35184385  0.82807495  0.24459129
   0.16322821  0.65182120  0.50546529
   0.38163017  0.64382233  0.85929504
   0.05265966  0.90693063  0.62363244
   0.32106606  0.98462796  0.69549537
   0.65295026  0.15221449  1.01336131
   0.83685908  0.14324639  0.34714667
   0.59907161  0.42719241  0.12225663
   0.87725910  0.32657240  0.16527537
   0.62203877  0.17754093  0.50608430
   0.89518013  0.11011293  0.87358965
   0.59174217  0.45203836  0.63076897
   0.77105752  0.37211769  0.80609247
   0.61810175  0.67426241 -0.00427359
   0.91180736  0.58176150  0.39098354
   0.57547492  0.90581301  0.12764105
   0.82057869  0.84208003  0.27414114
   0.64045811  0.63985046  0.46675052
   0.87176527  0.61263263  0.89030992
   0.59900044  0.92030695  0.63121972
   0.81563204  0.86569304  0.76130865
   0.07187324  0.07179862  0.14612980
   0.36606020  0.17126942  0.28701364
   0.11706368  0.30592331  0.02213108
   0.32705279  0.42903934  0.34073850
   0.53017430  0.38132191  0.22625267
   0.28928160  0.35619779  0.15258163
   0.24389886  0.05993922  0.44024525
  -0.01249953  0.16645455  0.39197826
   0.01834248  0.03020986  0.54698606
   0.47469521  0.24420775  0.77775709
   0.13355043  0.27251890  0.52440797
   0.35334840  0.48513275  0.84892448
   0.44894371  0.47967637  0.68774559
   0.23039911  0.34697886  0.70334977
   0.28753706  0.21771401 -0.10035425
   0.04270480  0.14977592  0.89183599
   0.15340257  0.56065259  0.05297336
   0.37871667  0.66514122  0.26557944
   0.10935077  0.83375317  0.05693111
   0.42057804  0.91434290  0.33434681
   0.42184953  0.89032978  0.14699371
   0.19512942  0.85833684  0.22720405
   0.29375159  0.67471413  0.43675271
   0.03962886  0.64726761  0.42761814
   0.17357414  0.52234458  0.57132672
   0.35710552  0.72698758  0.75855950
   0.14741651  0.78397799  0.57128895
   0.38095471  0.98975988  0.80697807
   0.43503203  0.91083970  0.62448630
   0.16027390  0.94706941  0.70377822
   0.28093225  0.71306260 -0.06362542
   0.01163549  0.68020820  0.91830230
   0.62067961  0.06334584  0.11008687
   0.83701693  0.21170436  0.23810697
   0.61918391  0.31419489  0.04167495
   0.94297902  0.43743746  0.34234641
   0.02500819  0.40666755  0.17700919
   0.76199495  0.45336791  0.15794941
   0.72688803  0.20372179  0.41933751
   0.48828153  0.12265833  0.45781662
   0.67071350  0.04928515  0.57003318
   0.82860020  0.21708909  0.78931895
   0.59477999  0.32271285  0.56206451
   0.89178250  0.45150701  0.85539793
   0.96818637  0.38443892  0.65829238
   0.73084040  0.43289113  0.70063051
   0.79791337  0.10908335  0.97315514
   0.54890006  0.11305357  0.93464684
   0.54569143  0.57686664  0.07499282
   0.85123393  0.68991363  0.31010267
   0.62773490  0.83148372  0.03259047
   0.80847684  0.97839823  0.33650657
   0.92299670  0.86648630  0.18315162
   0.67482560  0.84601484  0.21987772
   0.79485510  0.55963409  0.47127349
   0.54012775  0.56309576  0.40427467
   0.59991731  0.59456441  0.58127782
   0.81552983  0.70937974  0.79745869
   0.62833926  0.79138204  0.42595972
   0.90707027  0.95480263  0.84289750
   0.89792190  0.86527964  0.65916561
   0.66928630  0.93989593  0.74206897
   0.77089255  0.60717159  0.98037408
   0.53169414  0.66765682  0.90157949
   0.70051133  0.80528846  0.59689455
   0.61014558  0.87813755  0.46443374
   0.86510230  0.26423426  0.06653702
   0.99860146  0.44206862  0.29874544
   0.31854032  0.14469621  0.66165410
   0.36560762  0.66325273  0.70461064
  -0.00352541  1.12912929  0.11447455
   0.21732642  1.04463884  0.01800614
   0.65313842  0.37818064  0.86785405
   0.87762222  0.42623407  0.64447621
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889794    0.571902   -0.160461
    -0.000000    9.836182   -0.015567
    -0.000000    0.000000   13.938667
   Si   O    H 
    32    64    10
Direct configuration=  1447
   0.16973467  0.17726635 -0.03305479
   0.38570354  0.06773547  0.38230004
   0.14626060  0.41630416  0.10589806
   0.37882133  0.33103954  0.25336806
   0.10088969  0.12893952  0.47696649
   0.42674038  0.14033756  0.85839842
   0.11762211  0.38446674  0.61589468
   0.37156990  0.38388110  0.75686350
   0.14023162  0.70011272 -0.00878668
   0.38398063  0.58326908  0.36248787
   0.07570907  0.91276196  0.15629287
   0.35161138  0.82758802  0.24502576
   0.16342583  0.65085733  0.50490163
   0.38004932  0.64363861  0.85996309
   0.05386709  0.90636425  0.62351435
   0.32394437  0.98412095  0.69561071
   0.65177695  0.15186203  1.01297639
   0.83772213  0.14196323  0.34677179
   0.59980571  0.42737955  0.12253088
   0.87648213  0.32634503  0.16474295
   0.62141332  0.17839600  0.50545001
   0.89448814  0.11046853  0.87351334
   0.59324857  0.45255448  0.63061838
   0.77162271  0.37230645  0.80622688
   0.61919785  0.67425369 -0.00403597
   0.91189045  0.58186279  0.39029824
   0.57562670  0.90637986  0.12879552
   0.82060395  0.84121743  0.27467989
   0.64048730  0.63918128  0.46693182
   0.87297205  0.61165252  0.88975039
   0.59949086  0.92118271  0.63096984
   0.81557383  0.86443093  0.76209994
   0.07305853  0.07092240  0.14515533
   0.36595811  0.17050935  0.28767366
   0.11679583  0.30475495  0.02266081
   0.32710584  0.42886427  0.34068964
   0.52913561  0.38266235  0.22762082
   0.28860070  0.35772156  0.15311797
   0.24325902  0.05858040  0.44021318
  -0.01113341  0.16822729  0.39195568
   0.01861154  0.02938062  0.54616728
   0.47296045  0.24405920  0.77683210
   0.13314654  0.27396161  0.52554122
   0.35359579  0.48478840  0.84913345
   0.44878432  0.48009524  0.68842397
   0.22943376  0.34518611  0.70377863
   0.28852912  0.21743377 -0.10002285
   0.04216630  0.15088261  0.89144812
   0.15233493  0.56050040  0.05258121
   0.37895202  0.66356552  0.26534015
   0.11184829  0.83386518  0.05759075
   0.41871283  0.91465351  0.33335983
   0.42256145  0.88893622  0.14854219
   0.19609898  0.85834487  0.22693796
   0.29275631  0.67351270  0.43732963
   0.04112617  0.64632788  0.42722138
   0.17190590  0.52325258  0.57092417
   0.35703522  0.72754394  0.75853214
   0.14678558  0.78410176  0.57327618
   0.38100901  0.99105001  0.80761241
   0.43671697  0.90973131  0.62635006
   0.15914318  0.94591012  0.70425912
   0.28086481  0.71225529 -0.06450735
   0.01325081  0.67928209  0.91830559
   0.62090518  0.06188477  0.10873821
   0.83620673  0.21167482  0.23820131
   0.61820905  0.31611735  0.04040389
   0.94176935  0.43663244  0.34449388
   0.02354943  0.40445344  0.17815454
   0.76202873  0.45371288  0.15738054
   0.72697726  0.19975815  0.42000255
   0.48929516  0.12093107  0.45773758
   0.67037226  0.04893340  0.56976045
   0.82875613  0.21570313  0.78788355
   0.59431079  0.32330196  0.56151278
   0.89167190  0.45167732  0.85451005
   0.96912131  0.38476742  0.65807368
   0.72986560  0.43351167  0.70103784
   0.79602544  0.10850005  0.97424409
   0.54873034  0.11141889  0.93454909
   0.54449127  0.57622456  0.07749657
   0.85328695  0.68985562  0.31001006
   0.62729067  0.82984774  0.03284715
   0.80751026  0.97694203  0.33597274
   0.92177630  0.86528851  0.18330145
   0.67348606  0.84540903  0.22037365
   0.79367331  0.56045230  0.47137041
   0.54024899  0.56378030  0.40459481
   0.59962938  0.59686199  0.58126677
   0.81540185  0.70994647  0.79827222
   0.62864501  0.79152232  0.42679619
   0.90610689  0.95504533  0.84139381
   0.90038262  0.86471484  0.65821488
   0.66882686  0.93978247  0.74140715
   0.76920128  0.60735044  0.97998270
   0.53335984  0.66768394  0.90258557
   0.69751894  0.80764731  0.59538825
   0.61295467  0.88421448  0.46144710
   0.87155053  0.26276046  0.06457833
   1.01186178  0.44477464  0.28982146
   0.32059963  0.14672054  0.66526144
   0.37234271  0.66007949  0.70330604
  -0.00719428  1.14181294  0.11418265
   0.20971627  1.04438561  0.02183242
   0.64903154  0.37642318  0.86731867
   0.87649738  0.42065706  0.64463473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889028    0.572026   -0.161519
    -0.000000    9.836755   -0.014737
    -0.000000    0.000000   13.935927
   Si   O    H 
    32    64    10
Direct configuration=  1448
   0.17015734  0.17690211 -0.03229214
   0.38552925  0.06712435  0.38186203
   0.14608906  0.41673373  0.10550993
   0.37825507  0.33155795  0.25278805
   0.10144618  0.12865907  0.47638678
   0.42594714  0.14150627  0.85847507
   0.11824281  0.38308027  0.61598605
   0.37119290  0.38368624  0.75654889
   0.14024856  0.70021730 -0.00815223
   0.38426203  0.58245858  0.36190306
   0.07689869  0.91202775  0.15504081
   0.35173769  0.82722241  0.24541958
   0.16330505  0.64983908  0.50462853
   0.37847920  0.64317062  0.86043990
   0.05480022  0.90572580  0.62299360
   0.32639899  0.98440973  0.69603458
   0.65081569  0.15126957  1.01291306
   0.83894752  0.14105953  0.34621423
   0.60045440  0.42814899  0.12257304
   0.87574788  0.32561872  0.16447862
   0.62064786  0.17927655  0.50496794
   0.89364269  0.11087705  0.87367325
   0.59435290  0.45280256  0.63063098
   0.77269535  0.37167334  0.80637549
   0.61981902  0.67426405 -0.00373341
   0.91149118  0.58225742  0.38932019
   0.57562297  0.90691681  0.12978706
   0.82057111  0.84073050  0.27509324
   0.64065137  0.63864956  0.46701500
   0.87356298  0.61067876  0.88912516
   0.60061153  0.92221970  0.63076508
   0.81585700  0.86317847  0.76294324
   0.07320679  0.07182911  0.14378728
   0.36574292  0.16921514  0.28861647
   0.11599670  0.30428045  0.02343331
   0.32669125  0.42925297  0.34065247
   0.52776214  0.38425783  0.22890197
   0.28804864  0.35921329  0.15344667
   0.24271902  0.05728168  0.43988309
  -0.00989418  0.16873005  0.39163974
   0.01805690  0.02861382  0.54539566
   0.47168465  0.24446205  0.77622833
   0.13329429  0.27459989  0.52638383
   0.35392601  0.48495852  0.84916127
   0.44854761  0.48012048  0.68835033
   0.22912630  0.34339801  0.70462301
   0.29024226  0.21745755 -0.09993396
   0.04149474  0.15136482  0.89103078
   0.15125074  0.56068251  0.05246350
   0.37877536  0.66217292  0.26461991
   0.11429522  0.83366676  0.05814359
   0.41710681  0.91462468  0.33255224
   0.42337881  0.88684153  0.14988707
   0.19716011  0.85777609  0.22709882
   0.29153803  0.67143121  0.43874452
   0.04284573  0.64557932  0.42683916
   0.16920340  0.52397171  0.57075413
   0.35638628  0.72872872  0.75868434
   0.14647755  0.78467614  0.57495435
   0.38062730  0.99296761  0.80817588
   0.43825950  0.90795373  0.62786871
   0.15891415  0.94501797  0.70491009
   0.28031631  0.71283636 -0.06539365
   0.01584331  0.67840010  0.91811903
   0.62125191  0.06038912  0.10785981
   0.83519445  0.21089089  0.23867896
   0.61763193  0.31677000  0.03906487
   0.94170969  0.43555450  0.34594370
   0.02145497  0.40251789  0.17929405
   0.76145466  0.45423142  0.15725822
   0.72695971  0.19611813  0.42030223
   0.49080969  0.11926401  0.45724376
   0.66903173  0.04788025  0.56974520
   0.82863327  0.21453438  0.78595219
   0.59477794  0.32373228  0.56090234
   0.89066336  0.45318926  0.85369663
   0.96946642  0.38518844  0.65721110
   0.72838131  0.43444293  0.70122434
   0.79562149  0.10905362  0.97493322
   0.54801523  0.11058269  0.93474890
   0.54405460  0.57569862  0.07940052
   0.85530381  0.68936455  0.30978248
   0.62597188  0.82829000  0.03269394
   0.80610886  0.97610274  0.33548275
   0.92097718  0.86384160  0.18336805
   0.67199771  0.84499923  0.22058834
   0.79225507  0.56150387  0.47177179
   0.53967748  0.56331183  0.40422257
   0.59983417  0.59829226  0.58044472
   0.81426440  0.71076176  0.79913521
   0.62897868  0.79231950  0.42820563
   0.90489908  0.95528773  0.83986760
   0.90264813  0.86373930  0.65765912
   0.66792626  0.93961828  0.74031117
   0.76763947  0.60770561  0.98013392
   0.53425453  0.66823987  0.90322267
   0.68524464  0.81102577  0.59664668
   0.62038496  0.87848081  0.45687035
   0.88370933  0.26117318  0.06783227
   1.02220799  0.44251590  0.28345985
   0.31996536  0.14325788  0.66967195
   0.37832665  0.66084704  0.70753933
   0.00359499  1.14312842  0.11865244
   0.20285470  1.05031423  0.02150221
   0.64605365  0.37292725  0.86686937
   0.87869694  0.41541976  0.64489312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888140    0.571949   -0.162635
    -0.000000    9.838061   -0.013450
    -0.000000    0.000000   13.933364
   Si   O    H 
    32    64    10
Direct configuration=  1449
   0.17000010  0.17595804 -0.03177195
   0.38535316  0.06653618  0.38159126
   0.14546534  0.41681087  0.10519607
   0.37726627  0.33196819  0.25224100
   0.10153081  0.12840636  0.47535848
   0.42492059  0.14239243  0.85844928
   0.11872496  0.38151131  0.61620747
   0.37083624  0.38359622  0.75642640
   0.13966785  0.70016982 -0.00780226
   0.38451336  0.58163792  0.36123386
   0.07786096  0.91109949  0.15369262
   0.35191478  0.82680098  0.24564352
   0.16277134  0.64945922  0.50454102
   0.37698820  0.64265026  0.86112892
   0.05513265  0.90518926  0.62231530
   0.32821064  0.98506511  0.69611638
   0.65021926  0.15120094  1.01269749
   0.83986792  0.14053803  0.34574693
   0.60142884  0.42897753  0.12260763
   0.87448317  0.32531508  0.16419384
   0.61965961  0.18006661  0.50438579
   0.89292785  0.11156845  0.87409281
   0.59503107  0.45348855  0.63063513
   0.77342400  0.37072374  0.80601007
   0.62040882  0.67380547 -0.00316570
   0.91084828  0.58212315  0.38870019
   0.57672445  0.90738009  0.13071796
   0.82063412  0.83978588  0.27562145
   0.64052320  0.63823719  0.46720482
   0.87421309  0.61003621  0.88860648
   0.60200404  0.92264179  0.63066284
   0.81648195  0.86280282  0.76329057
   0.07288610  0.07322961  0.14202872
   0.36542007  0.16848524  0.28893313
   0.11505319  0.30442587  0.02481996
   0.32671599  0.42910853  0.34094140
   0.52600321  0.38531207  0.22924203
   0.28763345  0.36129788  0.15394802
   0.24221382  0.05579968  0.43929871
  -0.00904777  0.16837665  0.39101014
   0.01797219  0.02721961  0.54445073
   0.46981546  0.24540101  0.77502321
   0.13375082  0.27515296  0.52752882
   0.35315504  0.48538913  0.84894203
   0.44804382  0.48025916  0.68820848
   0.22788764  0.34205658  0.70551871
   0.29222029  0.21779376 -0.09974592
   0.04044568  0.15187746  0.89116297
   0.15056963  0.56085440  0.05207133
   0.37890120  0.66145728  0.26344889
   0.11609574  0.83356549  0.05811737
   0.41504604  0.91528538  0.33196522
   0.42325288  0.88581846  0.15126232
   0.19747471  0.85776347  0.22724471
   0.29119491  0.66888126  0.43982123
   0.04517769  0.64398120  0.42658812
   0.16702408  0.52386527  0.57127753
   0.35515098  0.72948539  0.75888467
   0.14653486  0.78504477  0.57651815
   0.38137445  0.99491127  0.80882441
   0.43929155  0.90646825  0.62954443
   0.15942448  0.94422005  0.70544838
   0.27885489  0.71356846 -0.06550828
   0.01748414  0.67786220  0.91774621
   0.62134943  0.05982197  0.10743986
   0.83437067  0.21002800  0.23929965
   0.61678660  0.31716198  0.03819059
   0.94186078  0.43389092  0.34665494
   0.02025481  0.40012066  0.18057308
   0.76043803  0.45547250  0.15733138
   0.72686534  0.19250367  0.42087940
   0.49287253  0.11792597  0.45623049
   0.66735541  0.04737081  0.56967287
   0.82899050  0.21316366  0.78435673
   0.59565274  0.32385979  0.55999706
   0.88911695  0.45460486  0.85306295
   0.97090324  0.38518276  0.65639482
   0.72568154  0.43477349  0.70131893
   0.79584954  0.10976383  0.97551799
   0.54686725  0.10969020  0.93419250
   0.54433679  0.57407979  0.08095286
   0.85765441  0.68837977  0.30921501
   0.62469051  0.82753127  0.03267166
   0.80472792  0.97631261  0.33515671
   0.92090170  0.86301574  0.18307586
   0.67105531  0.84414861  0.22030076
   0.79113072  0.56303260  0.47151858
   0.53899606  0.56289842  0.40364742
   0.60038693  0.60001542  0.57943450
   0.81275765  0.71176133  0.80022984
   0.62926128  0.79274904  0.42957261
   0.90335495  0.95517211  0.83804940
   0.90484814  0.86380673  0.65672095
   0.66657346  0.93891505  0.73943271
   0.76675130  0.60886881  0.97980066
   0.53406666  0.66902961  0.90353287
   0.67441737  0.81038415  0.59766318
   0.62711896  0.87876792  0.45365546
   0.89564563  0.26242376  0.07373242
   1.02151223  0.44115104  0.28130300
   0.31933032  0.13431889  0.67278846
   0.38745174  0.66467592  0.70879766
   0.01296640  1.13562216  0.12403200
   0.19952199  1.05804051  0.01987537
   0.64908620  0.37357461  0.86500840
   0.87294004  0.41383922  0.64355382
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887177    0.572065   -0.163097
    -0.000000    9.839255   -0.011850
    -0.000000    0.000000   13.931142
   Si   O    H 
    32    64    10
Direct configuration=  1450
   0.16986759  0.17466037 -0.03161084
   0.38502043  0.06545072  0.38165586
   0.14449721  0.41736163  0.10490858
   0.37573860  0.33191662  0.25151731
   0.10113713  0.12854935  0.47422200
   0.42358257  0.14289664  0.85800032
   0.11942420  0.38018683  0.61616593
   0.36980483  0.38308271  0.75670942
   0.13922372  0.69964361 -0.00736665
   0.38504510  0.58102583  0.36095226
   0.07820845  0.91049639  0.15281425
   0.35199813  0.82592837  0.24605218
   0.16206112  0.65025001  0.50519892
   0.37488197  0.64248817  0.86176217
   0.05558719  0.90474965  0.62204142
   0.32879846  0.98648105  0.69645033
   0.64945974  0.15102735  1.01288099
   0.84113588  0.13943154  0.34552021
   0.60253677  0.43004597  0.12295564
   0.87290071  0.32547249  0.16363109
   0.61880874  0.18066380  0.50429999
   0.89134771  0.11174950  0.87465269
   0.59550472  0.45364863  0.63115764
   0.77344994  0.36966854  0.80565209
   0.62100084  0.67286794 -0.00240401
   0.91001794  0.58164765  0.38826424
   0.57785747  0.90760285  0.13191313
   0.82078682  0.83898489  0.27521584
   0.64099848  0.63845332  0.46761045
   0.87479750  0.60990993  0.88839972
   0.60375709  0.92330523  0.63033640
   0.81754588  0.86327387  0.76326515
   0.07378688  0.07228450  0.14092862
   0.36482791  0.16851455  0.28941823
   0.11491959  0.30501509  0.02636737
   0.32732379  0.42913338  0.34130296
   0.52426825  0.38684624  0.22881929
   0.28710632  0.36297014  0.15487394
   0.24177778  0.05418647  0.43884109
  -0.00898532  0.16796999  0.39027151
   0.01778303  0.02628693  0.54376256
   0.46902644  0.24648495  0.77367603
   0.13384226  0.27479588  0.52911796
   0.35282642  0.48553444  0.84843131
   0.44873352  0.48051347  0.68760365
   0.22731515  0.34028714  0.70674771
   0.29370493  0.21890819 -0.09932667
   0.03959430  0.15275349  0.89159560
   0.14981869  0.56046898  0.05167540
   0.37935827  0.66253736  0.26240019
   0.11804900  0.83258555  0.05828295
   0.41270875  0.91645417  0.33099248
   0.42206838  0.88526811  0.15266241
   0.19673066  0.85801162  0.22733069
   0.29184651  0.66682879  0.44089997
   0.04836137  0.64262645  0.42633148
   0.16513994  0.52317907  0.57250570
   0.35470583  0.72927467  0.75899534
   0.14627050  0.78446633  0.57782839
   0.38226399  0.99751733  0.80945530
   0.43931229  0.90458854  0.63085906
   0.16104319  0.94452476  0.70589457
   0.27784441  0.71472545 -0.06535346
   0.01862858  0.67725726  0.91733047
   0.62117632  0.05915485  0.10762550
   0.83350325  0.20951019  0.24017534
   0.61548997  0.31725009  0.03692538
   0.94323528  0.43235643  0.34704159
   0.02046841  0.39819846  0.18145050
   0.75929519  0.45737756  0.15711254
   0.72701250  0.19025323  0.42149272
   0.49400804  0.11654738  0.45504135
   0.66540025  0.04733383  0.56959248
   0.82937265  0.21214659  0.78262889
   0.59590557  0.32350820  0.55872232
   0.88714426  0.45579649  0.85232121
   0.97238860  0.38570327  0.65555633
   0.72243822  0.43566132  0.70183602
   0.79637473  0.11032782  0.97552759
   0.54617957  0.10819435  0.93360089
   0.54509118  0.57358132  0.08158939
   0.85918983  0.68783156  0.30875237
   0.62422194  0.82737964  0.03280666
   0.80439849  0.97680311  0.33479806
   0.92170324  0.86244325  0.18315918
   0.67090589  0.84304001  0.22083041
   0.79044999  0.56424869  0.47061628
   0.53828524  0.56230222  0.40274617
   0.60072506  0.60183820  0.57830451
   0.81222903  0.71239455  0.80142375
   0.62961422  0.79257838  0.43052115
   0.90142830  0.95482011  0.83609660
   0.90727597  0.86319421  0.65634481
   0.66569873  0.93798575  0.73922551
   0.76705011  0.60978205  0.97933693
   0.53330233  0.67032627  0.90334918
   0.66675647  0.79913232  0.59497258
   0.63374944  0.89235837  0.45400368
   0.90581184  0.25856680  0.07738978
   1.01596725  0.43548353  0.28606590
   0.31612482  0.12222245  0.67530635
   0.39332675  0.67018246  0.70856937
   0.00227293  1.15095682  0.12507800
   0.20240656  1.05858830  0.01838299
   0.65202903  0.37500826  0.86433771
   0.87338485  0.40976661  0.64491266
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886136    0.572065   -0.163096
    -0.000000    9.840419   -0.009945
    -0.000000    0.000000   13.929047
   Si   O    H 
    32    64    10
Direct configuration=  1451
   0.16996363  0.17362128 -0.03176024
   0.38465748  0.06480609  0.38187782
   0.14338917  0.41845116  0.10522805
   0.37410869  0.33227871  0.25110107
   0.10019143  0.12927440  0.47307761
   0.42243886  0.14349407  0.85741378
   0.12036303  0.37813998  0.61611447
   0.36878779  0.38320713  0.75662130
   0.13874665  0.69937720 -0.00727428
   0.38589078  0.58041721  0.36103510
   0.07760315  0.91018176  0.15184204
   0.35192341  0.82542469  0.24642593
   0.16085512  0.65106092  0.50586123
   0.37281305  0.64245033  0.86200495
   0.05602071  0.90449882  0.62160965
   0.32837185  0.98830709  0.69670317
   0.64890334  0.15115274  1.01300402
   0.84244214  0.13819498  0.34507195
   0.60377332  0.43046235  0.12358499
   0.87130226  0.32549197  0.16332516
   0.61815885  0.18095124  0.50403364
   0.89006831  0.11209344  0.87548619
   0.59623709  0.45363557  0.63090545
   0.77354873  0.36810534  0.80554168
   0.62101794  0.67162740 -0.00154750
   0.90913756  0.58178669  0.38831480
   0.57960836  0.90774908  0.13313842
   0.81996969  0.83857238  0.27463223
   0.64130792  0.63849063  0.46796270
   0.87503948  0.60999803  0.88853374
   0.60564448  0.92393366  0.63018699
   0.81864240  0.86312011  0.76291777
   0.07428838  0.07136381  0.14057770
   0.36377061  0.16932554  0.28926759
   0.11513556  0.30614394  0.02752409
   0.32789896  0.42913319  0.34165614
   0.52319995  0.38798689  0.22807699
   0.28599329  0.36470456  0.15572993
   0.24113035  0.05292129  0.43819448
  -0.00883775  0.16784338  0.38940311
   0.01764146  0.02630088  0.54274660
   0.46801963  0.24768675  0.77254588
   0.13351425  0.27367623  0.53049710
   0.35198926  0.48477342  0.84779096
   0.44966715  0.48033423  0.68710373
   0.22667629  0.33875323  0.70766020
   0.29498829  0.22053307 -0.09799516
   0.03988918  0.15270707  0.89218768
   0.14903868  0.56016630  0.05200350
   0.37957766  0.66411963  0.26169328
   0.11925368  0.83161019  0.05815960
   0.41158312  0.91812180  0.33019433
   0.42189383  0.88394384  0.15330552
   0.19562689  0.85792718  0.22787926
   0.29318166  0.66526173  0.44138072
   0.05050430  0.64081568  0.42578602
   0.16408893  0.52255096  0.57387417
   0.35480145  0.72845466  0.75946426
   0.14602319  0.78286799  0.57879304
   0.38323552  0.99981670  0.80993983
   0.43937323  0.90271766  0.63216199
   0.16373907  0.94596403  0.70640787
   0.27599238  0.71576601 -0.06530440
   0.01966273  0.67672141  0.91660953
   0.62053371  0.05874278  0.10805625
   0.83272001  0.20892312  0.24084501
   0.61413251  0.31728351  0.03595111
   0.94495362  0.43043325  0.34666333
   0.02025890  0.39635381  0.18212868
   0.75810323  0.45947481  0.15706696
   0.72749291  0.18852942  0.42198347
   0.49486805  0.11570404  0.45366011
   0.66283693  0.04673352  0.56940937
   0.82979482  0.21088439  0.78164263
   0.59603899  0.32306056  0.55761271
   0.88559124  0.45646902  0.85202027
   0.97269336  0.38635536  0.65422231
   0.71984251  0.43698325  0.70199545
   0.79763751  0.10976710  0.97491848
   0.54483878  0.10731555  0.93290319
   0.54521953  0.57427669  0.08211058
   0.86016804  0.68742601  0.30846055
   0.62360965  0.82826361  0.03323616
   0.80376259  0.97748017  0.33449422
   0.92282122  0.86184360  0.18335190
   0.67097488  0.84255046  0.22128383
   0.79073042  0.56430877  0.46896442
   0.53798553  0.56163322  0.40158345
   0.60078424  0.60352184  0.57718013
   0.81191905  0.71228754  0.80251390
   0.62959379  0.79335076  0.43128680
   0.89910328  0.95468220  0.83447892
   0.90990531  0.86268245  0.65653144
   0.66440195  0.93761780  0.73922282
   0.76798025  0.61061778  0.97819465
   0.53217411  0.67138037  0.90330316
   0.65836563  0.78809188  0.59359300
   0.63944479  0.89437996  0.45376819
   0.91664089  0.25374335  0.07903940
   1.00432480  0.42951037  0.29626280
   0.31274129  0.11509019  0.67535577
   0.39966192  0.67455436  0.70592571
  -0.00487510  1.15524967  0.12740008
   0.20597856  1.05139316  0.01984161
   0.65307713  0.37655747  0.86293724
   0.87949071  0.40818110  0.64546110
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884707    0.571596   -0.162872
    -0.000000    9.841437   -0.007411
    -0.000000    0.000000   13.927443
   Si   O    H 
    32    64    10
Direct configuration=  1452
   0.16998614  0.17307382 -0.03164676
   0.38468725  0.06406776  0.38196202
   0.14250653  0.41941526  0.10552760
   0.37259866  0.33244107  0.25050481
   0.09997843  0.12963821  0.47243981
   0.42164829  0.14355719  0.85646022
   0.12132030  0.37597367  0.61649263
   0.36734111  0.38321704  0.75642426
   0.13837591  0.69886149 -0.00744080
   0.38652372  0.58005740  0.36133874
   0.07704759  0.90936207  0.15134210
   0.35176346  0.82447302  0.24678817
   0.16045619  0.65128345  0.50674148
   0.37106953  0.64327049  0.86167799
   0.05687718  0.90457714  0.62132388
   0.32791280  0.98957245  0.69765183
   0.64831907  0.15113868  1.01307773
   0.84391906  0.13729215  0.34445478
   0.60467178  0.43024388  0.12419537
   0.86968197  0.32608135  0.16337145
   0.61737286  0.18124572  0.50331530
   0.88855931  0.11236427  0.87644454
   0.59667117  0.45426130  0.63063352
   0.77382019  0.36680073  0.80528423
   0.62073674  0.67096078 -0.00059376
   0.90850933  0.58192726  0.38860171
   0.58149833  0.90800701  0.13450750
   0.81868999  0.83829102  0.27416543
   0.64105399  0.63869563  0.46818869
   0.87586669  0.61082335  0.88877752
   0.60725499  0.92439807  0.63019285
   0.81949120  0.86353160  0.76222800
   0.07370435  0.07039554  0.14028446
   0.36180531  0.17087583  0.28894127
   0.11557585  0.30739581  0.02818024
   0.32887807  0.42796992  0.34158004
   0.52211412  0.38929825  0.22678706
   0.28492616  0.36611387  0.15690723
   0.23924547  0.05121412  0.43747699
  -0.00878345  0.16732577  0.38837871
   0.01759612  0.02547501  0.54159468
   0.46734894  0.24890658  0.77136302
   0.13384311  0.27264145  0.53143833
   0.35103011  0.48430244  0.84731011
   0.45056558  0.48017112  0.68631033
   0.22681616  0.33685294  0.70845073
   0.29512808  0.22228976 -0.09645804
   0.04020740  0.15213140  0.89284548
   0.14825071  0.56000226  0.05249002
   0.38013297  0.66551708  0.26056838
   0.12017252  0.83098616  0.05827688
   0.41031681  0.92031621  0.32965006
   0.42210688  0.88294773  0.15351351
   0.19375609  0.85833749  0.22842179
   0.29411475  0.66452577  0.44112840
   0.05236093  0.63906505  0.42499281
   0.16316036  0.52191232  0.57542110
   0.35456630  0.72855490  0.76014384
   0.14659080  0.78096188  0.57956142
   0.38475565  1.00239297  0.81043457
   0.44038235  0.90047787  0.63295505
   0.16700376  0.94697387  0.70685667
   0.27494513  0.71699473 -0.06568737
   0.02051903  0.67600536  0.91581493
   0.61976603  0.05924358  0.10887483
   0.83166090  0.20928235  0.24165616
   0.61349622  0.31660125  0.03513112
   0.94538004  0.42969759  0.34671931
   0.01965509  0.39529186  0.18224003
   0.75782038  0.46010439  0.15763441
   0.72840581  0.18718897  0.42250075
   0.49400662  0.11575649  0.45258491
   0.66126616  0.04662715  0.56907752
   0.82940806  0.21001682  0.78110630
   0.59576313  0.32274847  0.55697693
   0.88511422  0.45695411  0.85188276
   0.97303909  0.38670773  0.65309265
   0.71837452  0.43759040  0.70259349
   0.79885581  0.10896986  0.97450796
   0.54383794  0.10735154  0.93201667
   0.54531994  0.57489437  0.08171321
   0.86071683  0.68715301  0.30794574
   0.62283073  0.82893755  0.03369244
   0.80378931  0.97870698  0.33461432
   0.92427949  0.86163112  0.18349557
   0.67171694  0.84150617  0.22188955
   0.79173290  0.56370190  0.46691196
   0.53863044  0.56123811  0.40018006
   0.60139224  0.60495891  0.57732746
   0.81269624  0.71267492  0.80331642
   0.63052705  0.79442879  0.43181196
   0.89693184  0.95549896  0.83285672
   0.91202110  0.86132296  0.65695167
   0.66319289  0.93717119  0.73903604
   0.76963937  0.61149844  0.97717749
   0.53057794  0.67169909  0.90296475
   0.64954277  0.78498888  0.59438629
   0.64252333  0.88167609  0.44861826
   0.92275227  0.24589787  0.07611052
   1.00464202  0.42429135  0.29877716
   0.30811425  0.12354555  0.66950259
   0.40608532  0.68246777  0.70456782
  -0.00660919  1.14804846  0.13079017
   0.20804220  1.04364365  0.02029293
   0.65293541  0.38061097  0.86080463
   0.88309712  0.40544759  0.64711679
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883635    0.570473   -0.162657
    -0.000000    9.842578   -0.005196
    -0.000000    0.000000   13.925846
   Si   O    H 
    32    64    10
Direct configuration=  1453
   0.17057613  0.17175629 -0.03177012
   0.38402286  0.06355076  0.38214842
   0.14151241  0.41954507  0.10627883
   0.37081865  0.33221133  0.25064570
   0.09939536  0.12984919  0.47197286
   0.42204263  0.14351754  0.85567528
   0.12222569  0.37466434  0.61732089
   0.36608568  0.38311195  0.75612860
   0.13766492  0.69837835 -0.00809461
   0.38650658  0.57985873  0.36136146
   0.07609240  0.90839776  0.15106725
   0.35096023  0.82388351  0.24743012
   0.16002828  0.65097622  0.50796367
   0.36985394  0.64413897  0.86143433
   0.05810922  0.90516161  0.62095608
   0.32780211  0.99101332  0.69833133
   0.64727835  0.15098542  1.01319139
   0.84522280  0.13627624  0.34430455
   0.60548638  0.43035253  0.12511248
   0.86823300  0.32629516  0.16420973
   0.61726355  0.18078104  0.50236892
   0.88764637  0.11235859  0.87692635
   0.59670919  0.45527925  0.63008106
   0.77366539  0.36541609  0.80509140
   0.62044139  0.67053899  0.00022345
   0.90878090  0.58166338  0.38907737
   0.58381515  0.90780783  0.13577656
   0.81751982  0.83834776  0.27353759
   0.64089812  0.63872941  0.46887175
   0.87646996  0.61119027  0.88887920
   0.60824664  0.92395629  0.63062564
   0.82045817  0.86373754  0.76109392
   0.07384529  0.07022882  0.14016928
   0.36006316  0.17261670  0.28825984
   0.11722681  0.30792463  0.02878822
   0.32974860  0.42728130  0.34202830
   0.52203941  0.39031942  0.22497313
   0.28338570  0.36684881  0.15707865
   0.23779304  0.05037611  0.43703191
  -0.00898957  0.16737387  0.38775791
   0.01816190  0.02541718  0.54034810
   0.46622194  0.24982125  0.77072618
   0.13462907  0.27187176  0.53171349
   0.35002587  0.48391200  0.84669267
   0.45162561  0.48008788  0.68579589
   0.22775644  0.33480094  0.70931785
   0.29574582  0.22420323 -0.09464843
   0.04092997  0.15218687  0.89351220
   0.14688911  0.55868823  0.05270204
   0.38090983  0.66631730  0.25943867
   0.12101692  0.83024664  0.05845513
   0.40913309  0.92179049  0.32951873
   0.42199492  0.88245272  0.15370876
   0.19135670  0.85875421  0.22842680
   0.29455844  0.66394287  0.44105039
   0.05343091  0.63767385  0.42392291
   0.16185602  0.52124509  0.57646939
   0.35437651  0.72791440  0.76063469
   0.14729851  0.77947685  0.58014235
   0.38672413  1.00517365  0.80997378
   0.44164251  0.89867988  0.63323941
   0.17029350  0.94786083  0.70694293
   0.27386076  0.71779683 -0.06565761
   0.02131464  0.67471334  0.91497178
   0.61908294  0.06049204  0.10949172
   0.83114432  0.21034713  0.24250870
   0.61344799  0.31635942  0.03508242
   0.94424642  0.42971082  0.34769777
   0.01921643  0.39506499  0.18233943
   0.75883307  0.46012904  0.15818358
   0.72956995  0.18649060  0.42308130
   0.49211092  0.11641728  0.45141473
   0.66008988  0.04713095  0.56867479
   0.82968393  0.20876592  0.78108839
   0.59574015  0.32296411  0.55633324
   0.88504679  0.45802855  0.85195278
   0.97401982  0.38698426  0.65203147
   0.71794540  0.43773157  0.70304075
   0.79970642  0.10857761  0.97457041
   0.54209380  0.10762914  0.93062619
   0.54541596  0.57550537  0.08177283
   0.86101599  0.68722752  0.30755340
   0.62182370  0.82999332  0.03446716
   0.80348151  0.97997306  0.33489724
   0.92549425  0.86186342  0.18349859
   0.67195976  0.84113691  0.22244814
   0.79219338  0.56317821  0.46480519
   0.53941252  0.56037778  0.39868991
   0.60191075  0.60609445  0.57759925
   0.81343253  0.71247355  0.80417065
   0.63118423  0.79488737  0.43222036
   0.89521671  0.95667423  0.83135742
   0.91387990  0.85924716  0.65775853
   0.66317362  0.93625914  0.73877829
   0.77069166  0.61252607  0.97621931
   0.52890214  0.67205303  0.90243061
   0.64168355  0.78672634  0.59792587
   0.64773423  0.88060185  0.44929241
   0.92301116  0.23870191  0.07333997
   1.01895136  0.41535453  0.29095572
   0.30530692  0.13583786  0.66243569
   0.40609490  0.69066750  0.70660013
  -0.00069678  1.13196531  0.13241830
   0.20944139  1.04205845  0.01802129
   0.65390163  0.38244499  0.86143383
   0.87564397  0.40346327  0.64960894
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882430    0.569708   -0.162389
    -0.000000    9.843203   -0.003301
    -0.000000    0.000000   13.924255
   Si   O    H 
    32    64    10
Direct configuration=  1454
   0.17035772  0.17059562 -0.03196673
   0.38294106  0.06364872  0.38237116
   0.14134399  0.41975913  0.10682214
   0.36940020  0.33193283  0.25044428
   0.09863997  0.13032839  0.47170010
   0.42231564  0.14320858  0.85498853
   0.12328868  0.37395576  0.61777220
   0.36473149  0.38309117  0.75571319
   0.13753127  0.69818444 -0.00857910
   0.38650666  0.57927897  0.36158369
   0.07559507  0.90724873  0.15135706
   0.35005348  0.82317427  0.24781761
   0.15998528  0.65126712  0.50896372
   0.36960811  0.64512151  0.86157593
   0.05924170  0.90526084  0.62051253
   0.32742476  0.99152242  0.69883352
   0.64612317  0.15042860  1.01325646
   0.84615679  0.13546120  0.34433000
   0.60572946  0.43021506  0.12538552
   0.86741024  0.32637728  0.16531562
   0.61736098  0.18045251  0.50142833
   0.88691207  0.11194041  0.87689891
   0.59691156  0.45628783  0.62945304
   0.77292863  0.36347189  0.80477962
   0.62000406  0.67039328  0.00055049
   0.90908062  0.58162265  0.38888586
   0.58572948  0.90711960  0.13644032
   0.81679814  0.83781864  0.27270233
   0.64118965  0.63835801  0.46946168
   0.87725788  0.61111895  0.88892976
   0.60897317  0.92344744  0.63107105
   0.82155824  0.86334480  0.76008477
   0.07458684  0.07000664  0.13994943
   0.35879199  0.17426053  0.28745826
   0.11773227  0.30784910  0.02879443
   0.33042089  0.42666378  0.34233066
   0.52211648  0.39114203  0.22303582
   0.28183338  0.36773146  0.15660550
   0.23740404  0.05004761  0.43696634
  -0.00890597  0.16710260  0.38705434
   0.01853444  0.02529672  0.53903842
   0.46531536  0.25095242  0.77071892
   0.13519149  0.27140201  0.53165078
   0.34875275  0.48397421  0.84598070
   0.45252342  0.47972091  0.68489636
   0.22895683  0.33275810  0.70996466
   0.29706307  0.22576172 -0.09295049
   0.04141699  0.15298696  0.89414914
   0.14550106  0.55829915  0.05210324
   0.38097842  0.66615305  0.25893765
   0.12222335  0.83019894  0.05807866
   0.40714753  0.92258927  0.32980118
   0.42182218  0.88141322  0.15365859
   0.18913512  0.85855380  0.22862423
   0.29508039  0.66359800  0.44129539
   0.05405644  0.63621522  0.42331625
   0.16086512  0.52057765  0.57775086
   0.35500596  0.72731846  0.76138172
   0.14804267  0.77759446  0.58047543
   0.38822900  1.00670196  0.80972029
   0.44304157  0.89659712  0.63379017
   0.17234253  0.94870051  0.70652958
   0.27269101  0.71876939 -0.06528952
   0.02228760  0.67399108  0.91389438
   0.61858907  0.06200393  0.10965255
   0.83058160  0.21127893  0.24301114
   0.61404058  0.31556449  0.03518767
   0.94295714  0.42947693  0.34859673
   0.01946165  0.39540116  0.18258094
   0.76019477  0.46118696  0.15928221
   0.73057578  0.18627168  0.42326631
   0.49018365  0.11706245  0.45075651
   0.65952245  0.04755941  0.56874086
   0.83023473  0.20765952  0.78088640
   0.59574088  0.32320064  0.55610815
   0.88546807  0.45926915  0.85233908
   0.97440439  0.38755916  0.65144759
   0.71760811  0.43834325  0.70408536
   0.80022576  0.10800720  0.97470914
   0.54001488  0.10768005  0.92937474
   0.54501956  0.57600613  0.08153844
   0.86082285  0.68765154  0.30736498
   0.62146894  0.83095181  0.03477095
   0.80364487  0.98137693  0.33539041
   0.92624615  0.86200355  0.18350986
   0.67227741  0.84093685  0.22265935
   0.79248721  0.56326143  0.46294375
   0.54097949  0.55874433  0.39763109
   0.60217606  0.60715347  0.57804235
   0.81320013  0.71240409  0.80465296
   0.63215311  0.79381854  0.43246916
   0.89441159  0.95852333  0.83007298
   0.91528377  0.85698503  0.65891840
   0.66390327  0.93471809  0.73871994
   0.77238695  0.61346039  0.97540397
   0.52679886  0.67205288  0.90141359
   0.63887549  0.79271907  0.60137651
   0.65251386  0.89330366  0.45493743
   0.91366859  0.23476975  0.07391064
   1.02455114  0.41235673  0.28929913
   0.30357504  0.14229653  0.65645059
   0.40391571  0.70271982  0.70557670
  -0.00402780  1.12537150  0.13232222
   0.20940166  1.04426027  0.01401111
   0.65646166  0.38511156  0.86428737
   0.87246471  0.40040151  0.65149443
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881328    0.569212   -0.161581
    -0.000000    9.843862   -0.001352
    -0.000000    0.000000   13.922737
   Si   O    H 
    32    64    10
Direct configuration=  1455
   0.17011018  0.17008070 -0.03259858
   0.38131428  0.06377602  0.38270366
   0.14166900  0.42049998  0.10766742
   0.36866183  0.33156728  0.25096295
   0.09871393  0.13031348  0.47149012
   0.42211524  0.14334113  0.85424116
   0.12447917  0.37309775  0.61852814
   0.36343325  0.38352928  0.75511180
   0.13679008  0.69775323 -0.00936980
   0.38659075  0.57893142  0.36195743
   0.07541331  0.90578142  0.15165562
   0.34938204  0.82314366  0.24817607
   0.16012001  0.65115246  0.51004441
   0.37002607  0.64674053  0.86156800
   0.05993930  0.90489390  0.62017542
   0.32772864  0.99204931  0.69928069
   0.64494885  0.15006078  1.01334113
   0.84666725  0.13449786  0.34470228
   0.60624755  0.42976935  0.12552210
   0.86703426  0.32714767  0.16664704
   0.61776632  0.18073649  0.50087714
   0.88636738  0.11131227  0.87681986
   0.59637610  0.45729476  0.62926511
   0.77192214  0.36163107  0.80430335
   0.61971945  0.67076836  0.00085577
   0.90999573  0.58106981  0.38869173
   0.58731917  0.90623924  0.13724784
   0.81637666  0.83821625  0.27155916
   0.64138082  0.63775868  0.47000067
   0.87804638  0.61150807  0.88888016
   0.60882962  0.92328179  0.63189960
   0.82272973  0.86280586  0.75917082
   0.07612169  0.06916932  0.13944605
   0.35690369  0.17698426  0.28626661
   0.11715795  0.30786384  0.02818048
   0.33160623  0.42633556  0.34278358
   0.52274330  0.39090837  0.22107588
   0.28048308  0.36773741  0.15584859
   0.23704951  0.04957851  0.43716445
  -0.00857404  0.16619848  0.38627016
   0.01894172  0.02432283  0.53764335
   0.46494269  0.25185897  0.77071520
   0.13630535  0.27012785  0.53064655
   0.34754592  0.48409354  0.84537345
   0.45474620  0.47909086  0.68392393
   0.23027995  0.33051977  0.71059596
   0.29782383  0.22675949 -0.09123768
   0.04241155  0.15465617  0.89431391
   0.14535612  0.55863178  0.05149567
   0.38039794  0.66540329  0.25808281
   0.12373660  0.82955267  0.05751182
   0.40548446  0.92225689  0.32990663
   0.42198045  0.88049752  0.15317266
   0.18727176  0.85883343  0.22857295
   0.29521517  0.66294156  0.44140133
   0.05452265  0.63495149  0.42304539
   0.16048022  0.51952362  0.57909402
   0.35503598  0.72723303  0.76205222
   0.14883199  0.77570824  0.58131721
   0.38929384  1.00714146  0.80877972
   0.44416616  0.89481747  0.63469662
   0.17427344  0.94935750  0.70588620
   0.27118888  0.71933071 -0.06459648
   0.02253647  0.67306639  0.91307006
   0.61821204  0.06280900  0.11008657
   0.82976160  0.21082301  0.24326843
   0.61452076  0.31497027  0.03519658
   0.94130159  0.42843511  0.34930257
   0.01864363  0.39555547  0.18262561
   0.76104860  0.46190196  0.15988722
   0.73194756  0.18704992  0.42359134
   0.48881571  0.11775311  0.45051352
   0.65924565  0.04789018  0.56851278
   0.83092464  0.20593126  0.78090469
   0.59657345  0.32311984  0.55574615
   0.88611826  0.45976095  0.85246796
   0.97417469  0.38868163  0.65159207
   0.71778934  0.43791489  0.70532389
   0.80123974  0.10792299  0.97471150
   0.53807463  0.10842370  0.92796579
   0.54458864  0.57629744  0.08174598
   0.86060984  0.68852934  0.30736963
   0.62124822  0.83198368  0.03464119
   0.80364825  0.98212654  0.33486176
   0.92691527  0.86171100  0.18361737
   0.67302010  0.84075890  0.22353160
   0.79272684  0.56236233  0.46128310
   0.54268695  0.55725403  0.39686374
   0.60221868  0.60823717  0.57851455
   0.81409788  0.71245850  0.80466247
   0.63273968  0.79389348  0.43250757
   0.89419410  0.96125275  0.82942624
   0.91676692  0.85478101  0.66003307
   0.66464458  0.93369738  0.73936163
   0.77330896  0.61517398  0.97483171
   0.52517477  0.67099386  0.90069343
   0.64068302  0.79524659  0.60353177
   0.65633213  0.88824855  0.45906579
   0.89777361  0.23642870  0.07992053
   1.02017897  0.41199055  0.29269801
   0.30960040  0.14066252  0.65117567
   0.40305838  0.71069725  0.70080963
  -0.01859371  1.12335004  0.13220400
   0.21022685  1.04459948  0.00927984
   0.66056649  0.38223087  0.86987323
   0.87496077  0.39136600  0.65237941
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880561    0.568696   -0.160876
    -0.000000    9.844385    0.001023
    -0.000000    0.000000   13.921683
   Si   O    H 
    32    64    10
Direct configuration=  1456
   0.16975771  0.16978129 -0.03331253
   0.37941041  0.06402757  0.38242526
   0.14243384  0.42145219  0.10868170
   0.36810898  0.33102377  0.25135351
   0.09843502  0.13008713  0.47106597
   0.42139772  0.14410169  0.85398816
   0.12504811  0.37306844  0.61948461
   0.36250827  0.38373036  0.75428047
   0.13632052  0.69709360 -0.01009140
   0.38661333  0.57877849  0.36256375
   0.07498186  0.90465909  0.15192769
   0.34865033  0.82397428  0.24823560
   0.16080357  0.65100544  0.51058589
   0.37010817  0.64821382  0.86118890
   0.06044646  0.90478123  0.61958913
   0.32841847  0.99290158  0.69948161
   0.64317078  0.15003634  1.01342873
   0.84670596  0.13361820  0.34468851
   0.60691178  0.42951128  0.12593563
   0.86689070  0.32802963  0.16798511
   0.61839751  0.18127229  0.50059556
   0.88634640  0.11072082  0.87656967
   0.59552096  0.45800772  0.62899539
   0.77063200  0.35988848  0.80400182
   0.61939602  0.67127934  0.00055247
   0.91084254  0.58043235  0.38854562
   0.58888268  0.90489206  0.13799047
   0.81604377  0.83845385  0.27048026
   0.64177413  0.63686666  0.47030061
   0.87875698  0.61165725  0.88925186
   0.60802121  0.92339386  0.63277357
   0.82445493  0.86157676  0.75791043
   0.07636934  0.06949734  0.13951497
   0.35524425  0.17976587  0.28589760
   0.11628783  0.30812906  0.02737061
   0.33257562  0.42586653  0.34303430
   0.52314616  0.39087774  0.21913172
   0.27977183  0.36735851  0.15491581
   0.23670435  0.04963433  0.43696034
  -0.00846315  0.16516369  0.38538642
   0.01917192  0.02300061  0.53652770
   0.46404701  0.25266301  0.77069782
   0.13767150  0.26870125  0.52959156
   0.34643012  0.48467078  0.84508097
   0.45699100  0.47799477  0.68329717
   0.23120492  0.32786173  0.71063061
   0.29859892  0.22757049 -0.08961650
   0.04251742  0.15660151  0.89422749
   0.14495685  0.55944781  0.05119796
   0.38015458  0.66475097  0.25752833
   0.12504798  0.82863618  0.05661811
   0.40358322  0.92244399  0.33037587
   0.42274297  0.87983942  0.15273904
   0.18541574  0.85878908  0.22891688
   0.29506870  0.66268327  0.44191458
   0.05427284  0.63440672  0.42308736
   0.16063325  0.51919404  0.57935742
   0.35605407  0.72716588  0.76261943
   0.14970154  0.77373184  0.58181120
   0.39040028  1.00715114  0.80775902
   0.44503924  0.89318885  0.63637141
   0.17603877  0.94950971  0.70540324
   0.26955895  0.71953034 -0.06424580
   0.02270719  0.67226055  0.91189180
   0.61742788  0.06435093  0.11105892
   0.82914455  0.21138593  0.24298745
   0.61472915  0.31473220  0.03549414
   0.94022413  0.42840238  0.34953185
   0.01916193  0.39641032  0.18282175
   0.76095087  0.46184858  0.16055840
   0.73424604  0.18811769  0.42358048
   0.48721868  0.11862992  0.45090604
   0.65852179  0.04944509  0.56861235
   0.83099800  0.20401102  0.78104854
   0.59731242  0.32293499  0.55553763
   0.88712198  0.45959512  0.85274379
   0.97407087  0.38998289  0.65161069
   0.71757481  0.43719404  0.70561710
   0.80171386  0.10824052  0.97486572
   0.53645087  0.10885133  0.92746508
   0.54395734  0.57649850  0.08183317
   0.86079572  0.68971788  0.30745656
   0.62095026  0.83197813  0.03451331
   0.80419089  0.98259347  0.33412977
   0.92740575  0.86180135  0.18347308
   0.67298432  0.84078166  0.22450330
   0.79241694  0.56132288  0.46025112
   0.54508380  0.55621775  0.39646532
   0.60250929  0.60859315  0.57858535
   0.81464565  0.71319620  0.80454204
   0.63326010  0.79512206  0.43233653
   0.89460615  0.96311150  0.82869485
   0.91740161  0.85206483  0.66075222
   0.66592310  0.93241939  0.74016763
   0.77411031  0.61659492  0.97419469
   0.52401762  0.67034896  0.89992914
   0.64768671  0.78822799  0.60206160
   0.66093861  0.87362211  0.46106833
   0.88187849  0.23798257  0.08581545
   1.00776290  0.41817232  0.30095765
   0.31937576  0.13187844  0.64967748
   0.40033885  0.71390763  0.69815756
  -0.02414359  1.11260058  0.13383999
   0.21598694  1.04377751  0.00552590
   0.66487668  0.37790213  0.87754446
   0.88036069  0.38240015  0.64996804
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880002    0.567580   -0.159502
    -0.000000    9.844564    0.003440
    -0.000000    0.000000   13.920762
   Si   O    H 
    32    64    10
Direct configuration=  1457
   0.16963463  0.16967061 -0.03369259
   0.37779175  0.06423002  0.38247107
   0.14268030  0.42192179  0.10942395
   0.36760049  0.33052276  0.25211425
   0.09839437  0.12975487  0.47062110
   0.41994361  0.14527291  0.85415297
   0.12587972  0.37238860  0.62006561
   0.36210666  0.38486833  0.75375854
   0.13547063  0.69663072 -0.01043764
   0.38692431  0.57888844  0.36297465
   0.07469482  0.90343763  0.15204531
   0.34814308  0.82517954  0.24854598
   0.16248357  0.65047828  0.51087123
   0.37093802  0.64933114  0.86083316
   0.06128184  0.90535258  0.61925294
   0.32910729  0.99355401  0.69896365
   0.64101728  0.15032536  1.01299062
   0.84603395  0.13290425  0.34498172
   0.60728108  0.42948650  0.12642812
   0.86726554  0.32830346  0.16957744
   0.61899395  0.18084278  0.50034098
   0.88707334  0.10991367  0.87637224
   0.59508041  0.45853107  0.62871121
   0.76982130  0.35860495  0.80389248
   0.61879579  0.67149700 -0.00007995
   0.91083985  0.58014880  0.38855583
   0.58990752  0.90415600  0.13814705
   0.81600139  0.83916240  0.26944341
   0.64227514  0.63611731  0.47035181
   0.87942422  0.61182985  0.88910978
   0.60771170  0.92277320  0.63332702
   0.82583940  0.86043295  0.75676760
   0.07530608  0.07017192  0.13939349
   0.35400440  0.18102422  0.28611157
   0.11513022  0.30700737  0.02638356
   0.33446124  0.42583690  0.34342676
   0.52364572  0.39105031  0.21703047
   0.27953208  0.36635408  0.15405867
   0.23705863  0.05019279  0.43724655
  -0.00765339  0.16527048  0.38462196
   0.02053672  0.02146910  0.53592450
   0.46383871  0.25262136  0.77091091
   0.13896610  0.26743466  0.52803996
   0.34447336  0.48547342  0.84496671
   0.45913125  0.47585826  0.68244329
   0.23153434  0.32665745  0.71026626
   0.29966548  0.22826268 -0.08848017
   0.04251707  0.15812793  0.89393841
   0.14439225  0.55995723  0.05121491
   0.38037273  0.66408229  0.25812137
   0.12539574  0.82907318  0.05594569
   0.40249626  0.92262477  0.33109599
   0.42371325  0.87915339  0.15252964
   0.18416768  0.85846787  0.22959042
   0.29479376  0.66195809  0.44247926
   0.05401022  0.63456346  0.42331465
   0.16068591  0.51809497  0.57946488
   0.35693336  0.72698569  0.76278373
   0.15094862  0.77300508  0.58188310
   0.39093124  1.00736185  0.80674523
   0.44640213  0.89234491  0.63852077
   0.17731463  0.95044354  0.70464038
   0.26831927  0.71979497 -0.06424633
   0.02223001  0.67119285  0.91129202
   0.61683902  0.06568920  0.11203272
   0.82793853  0.21224795  0.24308252
   0.61472861  0.31567723  0.03550144
   0.93861356  0.42742040  0.34993057
   0.01924587  0.39750789  0.18303033
   0.76116952  0.46138995  0.16122477
   0.73561120  0.18976815  0.42260742
   0.48601372  0.11998934  0.45207324
   0.65824128  0.05024965  0.56844972
   0.83072727  0.20303823  0.78145745
   0.59830379  0.32367754  0.55552782
   0.88752636  0.45912677  0.85254942
   0.97541535  0.39125736  0.65182575
   0.71740082  0.43720600  0.70576411
   0.80190633  0.10924753  0.97470317
   0.53564831  0.10886602  0.92716647
   0.54375063  0.57689360  0.08134382
   0.86024775  0.69000398  0.30751158
   0.62069101  0.83236507  0.03491474
   0.80399174  0.98286590  0.33384545
   0.92760863  0.86172878  0.18346086
   0.67228356  0.84105515  0.22536209
   0.79099976  0.56051342  0.45968180
   0.54741044  0.55624655  0.39631150
   0.60298394  0.60816220  0.57877313
   0.81524880  0.71396874  0.80421945
   0.63307410  0.79549226  0.43192596
   0.89504115  0.96462041  0.82814134
   0.91858882  0.85019630  0.66145541
   0.66863643  0.93050115  0.74119941
   0.77483074  0.61751054  0.97385745
   0.52323365  0.66946292  0.89965241
   0.65955027  0.78299983  0.59848932
   0.66868986  0.86857783  0.46475710
   0.86886109  0.23985135  0.08671342
   1.00260576  0.42444927  0.30661713
   0.33157031  0.11898793  0.64972772
   0.39269190  0.71300505  0.69986917
  -0.01927877  1.09823517  0.13419105
   0.22079863  1.04091612  0.00412617
   0.66673298  0.37211213  0.88559935
   0.87863328  0.36989754  0.64443378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879368    0.566431   -0.158086
    -0.000000    9.844911    0.005929
    -0.000000    0.000000   13.919673
   Si   O    H 
    32    64    10
Direct configuration=  1458
   0.16999536  0.16976116 -0.03377799
   0.37676362  0.06544204  0.38211285
   0.14314229  0.42150956  0.11006294
   0.36765856  0.33037189  0.25252618
   0.09891637  0.12898003  0.47046317
   0.41887968  0.14697695  0.85447060
   0.12666857  0.37160287  0.62081310
   0.36190295  0.38629468  0.75341688
   0.13505433  0.69630914 -0.01087747
   0.38759508  0.57912492  0.36295271
   0.07480413  0.90214435  0.15219646
   0.34760028  0.82599140  0.24843181
   0.16472197  0.64972688  0.51092248
   0.37220647  0.65032929  0.86054136
   0.06178641  0.90564415  0.61911446
   0.33032317  0.99422909  0.69853347
   0.63897881  0.15041762  1.01243861
   0.84543877  0.13213971  0.34574330
   0.60774617  0.42990859  0.12626951
   0.86807856  0.32846493  0.17140391
   0.61945976  0.17988586  0.50046960
   0.88779073  0.10944005  0.87596432
   0.59416733  0.45890528  0.62825172
   0.76890305  0.35827402  0.80404316
   0.61811990  0.67189992 -0.00083751
   0.91107002  0.57995595  0.38885091
   0.59028833  0.90328019  0.13803839
   0.81654562  0.83991726  0.26862936
   0.64308378  0.63546354  0.47027317
   0.87986959  0.61208349  0.88839822
   0.60753488  0.92237554  0.63364026
   0.82670186  0.85920755  0.75563727
   0.07359141  0.07088751  0.13882708
   0.35307146  0.18190270  0.28646218
   0.11418503  0.30526484  0.02523745
   0.33670227  0.42611456  0.34387371
   0.52354967  0.39100710  0.21474977
   0.28054550  0.36512361  0.15351551
   0.23669213  0.05007236  0.43796522
  -0.00719714  0.16534681  0.38385226
   0.02130916  0.01995736  0.53604720
   0.46384133  0.25213884  0.77120980
   0.13945409  0.26560926  0.52662033
   0.34235938  0.48653247  0.84550828
   0.45992064  0.47442551  0.68154583
   0.23104638  0.32537206  0.71012355
   0.30055773  0.22880474 -0.08779193
   0.04217566  0.15975658  0.89410217
   0.14451039  0.56048323  0.05136600
   0.38146494  0.66256192  0.25865204
   0.12568425  0.82999529  0.05539740
   0.40146928  0.92373344  0.33257996
   0.42487131  0.87940355  0.15242884
   0.18353382  0.85760570  0.23095631
   0.29485436  0.66088901  0.44284232
   0.05419563  0.63507406  0.42360430
   0.16065788  0.51830964  0.57903309
   0.35737262  0.72703127  0.76250545
   0.15258072  0.77155105  0.58161296
   0.39095666  1.00733883  0.80592367
   0.44701604  0.89260575  0.64009292
   0.17873457  0.95139043  0.70357146
   0.26712160  0.72071191 -0.06446555
   0.02209634  0.67021569  0.91093767
   0.61677194  0.06639416  0.11278699
   0.82692682  0.21341946  0.24369253
   0.61371783  0.31704591  0.03543627
   0.93667197  0.42662920  0.35086969
   0.01920406  0.39851755  0.18251082
   0.76220716  0.46013123  0.16199339
   0.73760690  0.19136013  0.42177512
   0.48437879  0.12165602  0.45291391
   0.65917231  0.05027424  0.56872357
   0.83102986  0.20236487  0.78224589
   0.60002145  0.32399833  0.55571624
   0.88834029  0.45712739  0.85187980
   0.97637966  0.39205056  0.65196833
   0.71815524  0.43658198  0.70615929
   0.80172937  0.11097851  0.97450348
   0.53494592  0.10790364  0.92754897
   0.54428608  0.57692864  0.08067652
   0.85990621  0.68984581  0.30744883
   0.62069174  0.83175099  0.03566236
   0.80498656  0.98148850  0.33313883
   0.92666663  0.86229430  0.18358078
   0.67119675  0.84106307  0.22579254
   0.78940661  0.55998158  0.45932955
   0.54975677  0.55610404  0.39605022
   0.60351429  0.60743669  0.57907578
   0.81550736  0.71489148  0.80355197
   0.63235451  0.79583799  0.43160196
   0.89587076  0.96582410  0.82766916
   0.92009760  0.84958685  0.66245059
   0.67251650  0.92809221  0.74188818
   0.77488987  0.61862668  0.97405127
   0.52289735  0.66797980  0.89977225
   0.67122126  0.78866352  0.59768221
   0.68083304  0.87037089  0.47021315
   0.85912979  0.24234316  0.08629764
   1.01294510  0.42698598  0.29701545
   0.34250781  0.10770740  0.64879329
   0.38840032  0.71135161  0.70127771
  -0.01894029  1.08658279  0.13545898
   0.22300143  1.03809865  0.00224171
   0.66887216  0.36677055  0.89148026
   0.88063301  0.36390947  0.64142888
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879146    0.565497   -0.156833
    -0.000000    9.844926    0.008426
    -0.000000    0.000000   13.918630
   Si   O    H 
    32    64    10
Direct configuration=  1459
   0.17042300  0.16957155 -0.03398849
   0.37524999  0.06715393  0.38145310
   0.14366922  0.42081195  0.11036187
   0.36818433  0.32975193  0.25266835
   0.09893474  0.12792456  0.47014211
   0.41756017  0.14815475  0.85453510
   0.12751038  0.37100712  0.62083747
   0.36158679  0.38750884  0.75290172
   0.13517692  0.69539154 -0.01095050
   0.38884827  0.57936755  0.36272691
   0.07453431  0.90099297  0.15241296
   0.34722516  0.82708062  0.24779239
   0.16619940  0.64903420  0.51053140
   0.37333196  0.65105748  0.86048097
   0.06168603  0.90523518  0.61916407
   0.33137010  0.99395960  0.69822408
   0.63723531  0.15048279  1.01207286
   0.84467914  0.13147011  0.34586635
   0.60792912  0.43046064  0.12554045
   0.86927017  0.32925626  0.17295025
   0.62006764  0.17953503  0.50087958
   0.88883002  0.10948245  0.87534089
   0.59372036  0.45894547  0.62775533
   0.76773562  0.35843280  0.80405251
   0.61741925  0.67195321 -0.00141604
   0.91118227  0.57944125  0.38900551
   0.59004280  0.90234273  0.13758744
   0.81747898  0.84042840  0.26812422
   0.64406348  0.63467345  0.47022393
   0.88075763  0.61197780  0.88766794
   0.60727990  0.92236786  0.63402824
   0.82691327  0.85893723  0.75482016
   0.07238453  0.07127090  0.13851554
   0.35172100  0.18268738  0.28696730
   0.11336601  0.30432050  0.02411588
   0.33872588  0.42707621  0.34467646
   0.52322808  0.39053064  0.21321905
   0.28220721  0.36384471  0.15346232
   0.23640087  0.05047165  0.43807751
  -0.00703325  0.16495268  0.38342205
   0.02177470  0.01876683  0.53579620
   0.46367593  0.25052219  0.77195879
   0.14002671  0.26415800  0.52490202
   0.34057394  0.48764074  0.84595625
   0.45961978  0.47346563  0.68028336
   0.23002850  0.32405593  0.70976794
   0.30095718  0.22892882 -0.08761021
   0.04112695  0.16039331  0.89443293
   0.14445047  0.56019322  0.05174260
   0.38277822  0.66133491  0.25903051
   0.12519396  0.83042119  0.05419828
   0.40184685  0.92441418  0.33386728
   0.42573428  0.88023403  0.15284443
   0.18352032  0.85590147  0.23257114
   0.29509022  0.65958190  0.44282543
   0.05408362  0.63524047  0.42352337
   0.16125814  0.51774504  0.57855215
   0.35739800  0.72792464  0.76187791
   0.15336081  0.77120363  0.58113788
   0.39003937  1.00770030  0.80567395
   0.44712906  0.89393986  0.64150915
   0.17886849  0.95250326  0.70248516
   0.26699039  0.72174609 -0.06489522
   0.02178594  0.66886252  0.91049326
   0.61668305  0.06700202  0.11374132
   0.82535560  0.21473375  0.24434874
   0.61262774  0.31781824  0.03539028
   0.93531107  0.42556121  0.35154312
   0.01867952  0.39980338  0.18205997
   0.76276145  0.45918531  0.16330691
   0.73961274  0.19248740  0.42111918
   0.48297145  0.12337537  0.45373710
   0.66041280  0.05091749  0.56922098
   0.83012489  0.20204734  0.78283059
   0.60144745  0.32434781  0.55583069
   0.88989744  0.45523388  0.85169675
   0.97538863  0.39377993  0.65230455
   0.71861232  0.43582500  0.70648190
   0.80127783  0.11212665  0.97491623
   0.53552808  0.10759197  0.92732489
   0.54505788  0.57690791  0.07994786
   0.85932151  0.68935894  0.30783926
   0.62103987  0.83027666  0.03593741
   0.80534018  0.97999750  0.33219998
   0.92557858  0.86340248  0.18354192
   0.67079862  0.84067827  0.22623795
   0.78750946  0.55931391  0.45938813
   0.55165706  0.55545222  0.39548556
   0.60408308  0.60614412  0.57908032
   0.81669047  0.71581290  0.80248348
   0.63309031  0.79610001  0.43144412
   0.89646396  0.96766693  0.82753204
   0.92192257  0.84977576  0.66340535
   0.67639203  0.92511453  0.74188963
   0.77407701  0.61903106  0.97421476
   0.52314516  0.66695384  0.90041148
   0.68028594  0.79829183  0.59768950
   0.68570846  0.86355019  0.47219300
   0.85292575  0.24341827  0.08428200
   1.01562399  0.42915939  0.29358723
   0.35186048  0.10759568  0.64169519
   0.38897085  0.70894750  0.69696892
  -0.02890671  1.08258022  0.13557763
   0.22193861  1.03388633 -0.00029836
   0.67375740  0.36187579  0.89122029
   0.89134322  0.36105533  0.63760601
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879198    0.564712   -0.155718
    -0.000000    9.845034    0.010736
    -0.000000    0.000000   13.917256
   Si   O    H 
    32    64    10
Direct configuration=  1460
   0.17051343  0.16906450 -0.03452869
   0.37405454  0.06898034  0.38076379
   0.14407166  0.41997761  0.11033430
   0.36923905  0.33000168  0.25278958
   0.09801892  0.12680111  0.46978239
   0.41578410  0.14898390  0.85466293
   0.12819851  0.37117430  0.62047061
   0.36076415  0.38881523  0.75290573
   0.13579543  0.69416417 -0.01070689
   0.39024620  0.57879839  0.36252954
   0.07384748  0.90054509  0.15272765
   0.34722412  0.82860847  0.24680823
   0.16775097  0.64864599  0.51005611
   0.37476821  0.65074932  0.86000972
   0.06242995  0.90440842  0.61937558
   0.33225667  0.99349512  0.69790864
   0.63570037  0.14940196  1.01181223
   0.84396297  0.13127456  0.34564111
   0.60821775  0.43119122  0.12448205
   0.86997600  0.33016999  0.17357365
   0.62068862  0.17918992  0.50087747
   0.88956355  0.11021325  0.87448448
   0.59379704  0.45798855  0.62711931
   0.76717916  0.35913242  0.80415558
   0.61720970  0.67145041 -0.00162287
   0.91132907  0.57950899  0.38967828
   0.58942587  0.90151428  0.13698186
   0.81823092  0.84112360  0.26804249
   0.64485456  0.63371774  0.46993792
   0.88107626  0.61230034  0.88675812
   0.60714699  0.92257650  0.63443112
   0.82646349  0.85901032  0.75445227
   0.07085033  0.07117766  0.13822126
   0.35047799  0.18255078  0.28826806
   0.11282842  0.30371199  0.02247719
   0.34002925  0.42730770  0.34533074
   0.52218044  0.38942606  0.21200487
   0.28428395  0.36268384  0.15373884
   0.23600408  0.05073858  0.43787965
  -0.00666254  0.16357352  0.38307301
   0.02213073  0.01787410  0.53574417
   0.46431690  0.24906862  0.77335187
   0.13977582  0.26408789  0.52368127
   0.33835202  0.48847295  0.84621766
   0.45776982  0.47242104  0.67933679
   0.22895409  0.32266726  0.70923244
   0.30155819  0.22891712 -0.08769582
   0.04006153  0.16091838  0.89452813
   0.14473157  0.56040655  0.05232471
   0.38361441  0.66034603  0.25956908
   0.12404109  0.83102697  0.05298094
   0.40177010  0.92483720  0.33513908
   0.42633544  0.88045754  0.15319344
   0.18258333  0.85480363  0.23468963
   0.29570152  0.65852197  0.44238625
   0.05301912  0.63496734  0.42328577
   0.16269104  0.51768146  0.57728137
   0.35680636  0.72892501  0.76207527
   0.15393321  0.77126241  0.58140497
   0.38912184  1.00776628  0.80544293
   0.44608338  0.89520121  0.64282762
   0.17800085  0.95349069  0.70170127
   0.26736576  0.72207214 -0.06537546
   0.02112238  0.66779121  0.91070682
   0.61667362  0.06832103  0.11504627
   0.82441455  0.21591025  0.24587800
   0.61209575  0.31823759  0.03561963
   0.93449596  0.42462178  0.35152690
   0.01792414  0.40142086  0.18179047
   0.76216241  0.45878628  0.16420593
   0.74112121  0.19293655  0.42095965
   0.48209349  0.12468252  0.45451317
   0.66175937  0.05174305  0.56888559
   0.82917122  0.20263589  0.78315471
   0.60289406  0.32497348  0.55539512
   0.89186960  0.45373072  0.85202545
   0.97495990  0.39465913  0.65243542
   0.71887310  0.43470801  0.70701889
   0.80154561  0.11288230  0.97511075
   0.53693766  0.10671633  0.92724014
   0.54684363  0.57732300  0.07950403
   0.85897440  0.68853267  0.30804680
   0.62134525  0.82884288  0.03644743
   0.80569587  0.97816259  0.33151505
   0.92477488  0.86494608  0.18377601
   0.66976390  0.83994746  0.22649222
   0.78555935  0.55869009  0.45966942
   0.55331369  0.55468184  0.39505306
   0.60472579  0.60399243  0.57968638
   0.81809735  0.71707124  0.80172799
   0.63411656  0.79676865  0.43080793
   0.89717129  0.96787623  0.82729667
   0.92361537  0.85019422  0.66375902
   0.67969819  0.92295843  0.74196882
   0.77402491  0.61921122  0.97407694
   0.52349851  0.66543332  0.90060284
   0.68742966  0.81162573  0.59787510
   0.68426991  0.85167075  0.46928983
   0.85015466  0.24632892  0.08409571
   1.00997044  0.43073273  0.29789001
   0.35871554  0.11519355  0.63179141
   0.38821337  0.70869450  0.69442742
  -0.03476011  1.08758174  0.13424820
   0.22125011  1.03156197 -0.00037442
   0.67901600  0.35680266  0.88877887
   0.89384759  0.35390892  0.63082188
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879344    0.564697   -0.154860
    -0.000000    9.844511    0.012719
    -0.000000    0.000000   13.915924
   Si   O    H 
    32    64    10
Direct configuration=  1461
   0.17008526  0.16935677 -0.03477122
   0.37281028  0.07120305  0.38024155
   0.14462296  0.41860877  0.11004945
   0.37012506  0.33014988  0.25293123
   0.09644399  0.12593275  0.46944722
   0.41427909  0.14917424  0.85477229
   0.12884130  0.37032444  0.61953548
   0.36035774  0.39025380  0.75353901
   0.13593570  0.69306355 -0.01083108
   0.39140632  0.57814957  0.36222043
   0.07305002  0.90052891  0.15274416
   0.34772257  0.82976192  0.24598347
   0.17030175  0.64822456  0.50946682
   0.37575733  0.64993521  0.85989068
   0.06389326  0.90395347  0.61977182
   0.33276946  0.99287072  0.69717479
   0.63479913  0.14865543  1.01195247
   0.84288058  0.13108207  0.34524414
   0.60860234  0.43183303  0.12312408
   0.87079709  0.33097176  0.17397150
   0.62091632  0.17924871  0.50076846
   0.88994837  0.11037691  0.87313558
   0.59489135  0.45704221  0.62618606
   0.76696246  0.36028164  0.80456303
   0.61718093  0.67097739 -0.00193092
   0.91100734  0.57988553  0.39023807
   0.58902461  0.90070745  0.13625989
   0.81931627  0.84200124  0.26784059
   0.64491898  0.63360829  0.46985682
   0.88128455  0.61258691  0.88554750
   0.60677397  0.92335124  0.63497511
   0.82635746  0.85959878  0.75421579
   0.06890983  0.07104940  0.13779288
   0.34979796  0.18121722  0.28960385
   0.11318084  0.30391101  0.02108744
   0.34145850  0.42712310  0.34601081
   0.52059209  0.38817910  0.21159513
   0.28641041  0.36180666  0.15401974
   0.23605292  0.05161243  0.43777275
  -0.00655486  0.16192982  0.38247506
   0.02212125  0.01726463  0.53557318
   0.46500210  0.24796986  0.77443957
   0.13921489  0.26406561  0.52244684
   0.33682057  0.48970255  0.84699408
   0.45462768  0.47150237  0.67874612
   0.22744681  0.32099490  0.70883720
   0.30197380  0.22888059 -0.08722523
   0.03878883  0.16133490  0.89444493
   0.14437112  0.56102212  0.05342760
   0.38487542  0.65952260  0.25981529
   0.12188518  0.83163110  0.05131782
   0.40172126  0.92514599  0.33541453
   0.42608808  0.88099773  0.15367077
   0.18178576  0.85333817  0.23709449
   0.29786806  0.65736383  0.44202444
   0.05198667  0.63436952  0.42357009
   0.16468949  0.51772736  0.57620164
   0.35615319  0.72945624  0.76199383
   0.15416372  0.77189401  0.58194859
   0.38868076  1.00786167  0.80463026
   0.44519567  0.89605560  0.64416975
   0.17714624  0.95420073  0.70068679
   0.26828021  0.72261388 -0.06595976
   0.02081992  0.66734558  0.91079146
   0.61656541  0.06911994  0.11613162
   0.82369499  0.21694442  0.24728541
   0.61208056  0.31868111  0.03635818
   0.93431951  0.42351503  0.35100196
   0.01753380  0.40283480  0.18148061
   0.76033877  0.45876956  0.16510713
   0.74102259  0.19336226  0.42104981
   0.48104323  0.12499124  0.45564021
   0.66268383  0.05172017  0.56856066
   0.82818135  0.20246751  0.78383710
   0.60451302  0.32570409  0.55516332
   0.89401213  0.45214521  0.85217879
   0.97417662  0.39605942  0.65234191
   0.71910012  0.43370173  0.70747105
   0.80158309  0.11337604  0.97484704
   0.53836370  0.10552659  0.92692603
   0.54980914  0.57766677  0.07884073
   0.85826356  0.68782869  0.30829013
   0.62197996  0.82780598  0.03656098
   0.80547352  0.97571948  0.33033604
   0.92402295  0.86696612  0.18360238
   0.66863785  0.83962286  0.22743946
   0.78432897  0.55767395  0.45986544
   0.55456813  0.55385713  0.39480424
   0.60428604  0.60297666  0.57999007
   0.81931019  0.71728375  0.80092302
   0.63468528  0.79630483  0.43066317
   0.89839931  0.96770577  0.82770567
   0.92530749  0.84949519  0.66393178
   0.68211186  0.92137953  0.74199514
   0.77423739  0.61897744  0.97381616
   0.52415803  0.66436759  0.90154752
   0.69840791  0.81985086  0.59444023
   0.68840025  0.84679592  0.47363748
   0.85243400  0.25203277  0.08443156
   0.99721396  0.43247628  0.30616900
   0.36642951  0.11710030  0.62376467
   0.38657415  0.70799967  0.69430017
  -0.02801380  1.09854621  0.13227960
   0.21648261  1.03249562  0.00025921
   0.68078101  0.35151933  0.88302167
   0.89352332  0.34808889  0.62401984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879122    0.564448   -0.153623
    -0.000000    9.843829    0.014832
    -0.000000    0.000000   13.915120
   Si   O    H 
    32    64    10
Direct configuration=  1462
   0.16985190  0.16982306 -0.03493810
   0.37181874  0.07393894  0.37995919
   0.14491758  0.41731781  0.10932891
   0.37146763  0.33073067  0.25278650
   0.09424112  0.12539186  0.46939486
   0.41352552  0.14932359  0.85454724
   0.12909143  0.36951909  0.61864174
   0.36061380  0.39111853  0.75414813
   0.13624804  0.69168966 -0.01100319
   0.39246743  0.57789512  0.36176876
   0.07296505  0.90086311  0.15289457
   0.34850407  0.83074389  0.24524538
   0.17288016  0.64719218  0.50887409
   0.37619057  0.64898898  0.85988190
   0.06517609  0.90340693  0.62034339
   0.33280405  0.99243368  0.69597062
   0.63403090  0.14747472  1.01229467
   0.84202823  0.13084930  0.34458289
   0.60885453  0.43187265  0.12185622
   0.87185135  0.33198478  0.17393214
   0.62139252  0.17981989  0.50067802
   0.89027107  0.11098587  0.87198753
   0.59545925  0.45590827  0.62520313
   0.76780705  0.36195332  0.80469281
   0.61741091  0.67049033 -0.00201112
   0.91076207  0.58045859  0.39101536
   0.58824835  0.90033876  0.13590685
   0.82038620  0.84216861  0.26795341
   0.64478913  0.63347293  0.46968008
   0.88113133  0.61246816  0.88387335
   0.60618816  0.92380826  0.63523439
   0.82762014  0.85994619  0.75409077
   0.06763289  0.07084235  0.13747174
   0.34997969  0.17962115  0.29125619
   0.11403657  0.30466672  0.02032809
   0.34280870  0.42688824  0.34658267
   0.51856597  0.38672005  0.21143317
   0.28839807  0.36122900  0.15460689
   0.23531515  0.05169121  0.43756047
  -0.00624142  0.16001027  0.38203750
   0.02246468  0.01603868  0.53588285
   0.46541154  0.24700775  0.77557409
   0.13768217  0.26442075  0.52118144
   0.33534031  0.49151624  0.84804657
   0.45075084  0.47030891  0.67822814
   0.22640895  0.31884563  0.70879271
   0.30234698  0.22906211 -0.08610173
   0.03840166  0.16241425  0.89467232
   0.14384861  0.56076419  0.05456182
   0.38545858  0.65953968  0.25959591
   0.11975221  0.83195018  0.05002939
   0.40249473  0.92565384  0.33550098
   0.42654300  0.88190748  0.15438874
   0.18090016  0.85234643  0.23920576
   0.30082173  0.65566384  0.44155861
   0.05081853  0.63396132  0.42435465
   0.16560190  0.51810218  0.57566867
   0.35526265  0.72993247  0.76189454
   0.15455517  0.77222099  0.58249740
   0.38795242  1.00792942  0.80438591
   0.44466777  0.89652322  0.64491348
   0.17596496  0.95561568  0.70019519
   0.26928343  0.72315897 -0.06673306
   0.02103742  0.66719589  0.91093071
   0.61718349  0.06930159  0.11628727
   0.82285253  0.21689794  0.24871162
   0.61197669  0.31870316  0.03689867
   0.93357274  0.42193791  0.35101742
   0.01672068  0.40395102  0.18158533
   0.75799586  0.45984316  0.16603135
   0.74065569  0.19484945  0.42159379
   0.48045744  0.12578468  0.45646680
   0.66353612  0.05145069  0.56785473
   0.82699497  0.20214798  0.78480989
   0.60496933  0.32702283  0.55490910
   0.89574338  0.45074284  0.85200224
   0.97362673  0.39725376  0.65197522
   0.71909161  0.43155568  0.70761403
   0.80040540  0.11360448  0.97429907
   0.54017540  0.10368903  0.92707218
   0.55228402  0.57778583  0.07787474
   0.85793567  0.68757808  0.30833867
   0.62237457  0.82618859  0.03626424
   0.80587332  0.97378828  0.33001609
   0.92348715  0.86966787  0.18354481
   0.66752562  0.83889999  0.22813243
   0.78350021  0.55618667  0.46027192
   0.55504887  0.55405579  0.39435065
   0.60322371  0.60293669  0.57986419
   0.82076562  0.71709911  0.80113557
   0.63564204  0.79542926  0.43045878
   0.89981301  0.96590388  0.82758905
   0.92766894  0.84943485  0.66385509
   0.68335014  0.92136691  0.74169888
   0.77440943  0.61960281  0.97356029
   0.52559642  0.66233611  0.90268323
   0.70218949  0.82143683  0.58787253
   0.69579074  0.84557309  0.47799530
   0.85669078  0.25778383  0.08808954
   0.99997422  0.43200813  0.30384543
   0.37045738  0.11124312  0.62102022
   0.38445439  0.70647998  0.69859827
  -0.02247998  1.10742202  0.13198413
   0.21288412  1.03253066 -0.00054524
   0.67436790  0.34820816  0.87748454
   0.90103508  0.34719049  0.62015133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878875    0.564320   -0.151833
    -0.000000    9.843597    0.017206
    -0.000000    0.000000   13.914476
   Si   O    H 
    32    64    10
Direct configuration=  1463
   0.16988464  0.17025841 -0.03492462
   0.37113890  0.07579289  0.37995608
   0.14487532  0.41618458  0.10832973
   0.37321579  0.33141428  0.25291165
   0.09247198  0.12542791  0.46926630
   0.41258340  0.14881685  0.85458960
   0.12910664  0.36920083  0.61754003
   0.36108692  0.39194573  0.75463076
   0.13657574  0.69064660 -0.01118268
   0.39384219  0.57754130  0.36142779
   0.07329052  0.90141437  0.15299794
   0.34908258  0.83148117  0.24450342
   0.17538385  0.64708128  0.50798757
   0.37618191  0.64849006  0.85947166
   0.06659422  0.90248514  0.62104591
   0.33300459  0.99250255  0.69458073
   0.63368960  0.14579664  1.01329345
   0.84138119  0.13084939  0.34425350
   0.60902557  0.43238436  0.12118532
   0.87304023  0.33322126  0.17377180
   0.62190173  0.17983208  0.50050993
   0.89036005  0.11195029  0.87116850
   0.59605579  0.45471096  0.62477078
   0.76908803  0.36364058  0.80450234
   0.61797432  0.67003401 -0.00230449
   0.91055196  0.58058857  0.39150114
   0.58736372  0.90017629  0.13564291
   0.82150556  0.84198872  0.26812347
   0.64460372  0.63357845  0.46966256
   0.88027356  0.61168903  0.88258558
   0.60637099  0.92457946  0.63587708
   0.82953092  0.86075113  0.75430630
   0.06688262  0.06927124  0.13701653
   0.35096743  0.17857276  0.29259794
   0.11445554  0.30572246  0.02032581
   0.34401426  0.42682749  0.34688212
   0.51625483  0.38513772  0.21145072
   0.28966528  0.36071410  0.15497394
   0.23467279  0.05214994  0.43749183
  -0.00603580  0.15847571  0.38123267
   0.02310753  0.01414567  0.53625104
   0.46593336  0.24680665  0.77649107
   0.13641239  0.26458954  0.52062722
   0.33449532  0.49386491  0.84895644
   0.44719152  0.46908280  0.67817202
   0.22605707  0.31706391  0.70846496
   0.30163615  0.22949743 -0.08506915
   0.03799465  0.16342562  0.89483633
   0.14372422  0.56062528  0.05579685
   0.38599281  0.66082498  0.25929005
   0.11738646  0.83318160  0.04874802
   0.40263395  0.92643339  0.33527422
   0.42719715  0.88321640  0.15483356
   0.17951976  0.85093686  0.24090674
   0.30420214  0.65462492  0.44108173
   0.04951607  0.63438758  0.42558181
   0.16642329  0.51785860  0.57564514
   0.35445128  0.73040425  0.76146378
   0.15504500  0.77289648  0.58286329
   0.38745027  1.00881008  0.80387094
   0.44525247  0.89582678  0.64549851
   0.17442927  0.95684205  0.69960509
   0.27097450  0.72332045 -0.06791136
   0.02026512  0.66749556  0.91066965
   0.61759884  0.06897897  0.11654676
   0.82305714  0.21694039  0.24974958
   0.61169232  0.31785310  0.03678548
   0.93223175  0.42138913  0.35125350
   0.01589306  0.40493913  0.18173437
   0.75572433  0.46101061  0.16681508
   0.74018463  0.19584403  0.42216702
   0.47958723  0.12666310  0.45725648
   0.66410925  0.05130502  0.56737832
   0.82547597  0.20237682  0.78585126
   0.60577464  0.32787638  0.55452970
   0.89687030  0.44936274  0.85180284
   0.97244283  0.39753964  0.65152621
   0.71779569  0.43006983  0.70746645
   0.79925009  0.11408699  0.97388567
   0.54114902  0.10242003  0.92714107
   0.55478164  0.57810493  0.07752412
   0.85764606  0.68758752  0.30800359
   0.62249095  0.82341633  0.03561598
   0.80665409  0.97235089  0.32988110
   0.92263995  0.87210131  0.18357885
   0.66711193  0.83855048  0.22877832
   0.78320189  0.55412533  0.46049387
   0.55573371  0.55380409  0.39420219
   0.60254665  0.60279226  0.57982177
   0.82249873  0.71612280  0.80156760
   0.63650469  0.79491028  0.43065041
   0.90105035  0.96378723  0.82782211
   0.92994807  0.84914321  0.66405986
   0.68355506  0.92249355  0.74113425
   0.77508236  0.61961348  0.97307527
   0.52748778  0.66037550  0.90347873
   0.70206156  0.82369897  0.58351011
   0.69560561  0.84250122  0.47592068
   0.86219669  0.26086165  0.08756649
   1.01092514  0.42626844  0.29740968
   0.36844060  0.10456041  0.62130116
   0.38124477  0.69960363  0.70104858
  -0.02548083  1.12024027  0.13079832
   0.21230396  1.03339989 -0.00138161
   0.65879966  0.34911878  0.87452873
   0.90896304  0.34659642  0.61680826
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878687    0.564556   -0.149919
    -0.000000    9.843524    0.019834
    -0.000000    0.000000   13.913641
   Si   O    H 
    32    64    10
Direct configuration=  1464
   0.16986418  0.17088235 -0.03477083
   0.37079563  0.07756506  0.38023072
   0.14469869  0.41543681  0.10735426
   0.37465505  0.33195353  0.25329622
   0.09077032  0.12569304  0.46937946
   0.41218627  0.14816253  0.85479640
   0.12878254  0.36914159  0.61597725
   0.36184277  0.39258003  0.75515843
   0.13711776  0.69059082 -0.01118307
   0.39511057  0.57739837  0.36155614
   0.07348393  0.90208973  0.15338198
   0.34977039  0.83202027  0.24413854
   0.17724769  0.64726023  0.50733085
   0.37568926  0.64887504  0.85923087
   0.06768094  0.90266495  0.62204262
   0.33371320  0.99295989  0.69312479
   0.63447025  0.14442164  1.01426158
   0.84126715  0.13083910  0.34400971
   0.60937608  0.43254166  0.12072161
   0.87370717  0.33381126  0.17389205
   0.62188677  0.17938818  0.50043835
   0.89041171  0.11244640  0.87069922
   0.59671977  0.45363885  0.62418684
   0.77020926  0.36495577  0.80442471
   0.61824393  0.66934780 -0.00291344
   0.91002312  0.57997066  0.39178483
   0.58750202  0.90029234  0.13571285
   0.82237615  0.84160909  0.26798206
   0.64453012  0.63315683  0.46950399
   0.87966148  0.61069800  0.88161638
   0.60709123  0.92505732  0.63604537
   0.83147879  0.86140790  0.75473642
   0.06608840  0.06773460  0.13657368
   0.35202512  0.17717281  0.29358177
   0.11471330  0.30716474  0.02121074
   0.34526988  0.42669225  0.34742773
   0.51428855  0.38377245  0.21146048
   0.29073032  0.36032519  0.15503291
   0.23335222  0.05237087  0.43710705
  -0.00615502  0.15666794  0.38015746
   0.02311453  0.01324634  0.53633908
   0.46660630  0.24770903  0.77732026
   0.13496435  0.26488061  0.52074106
   0.33388570  0.49627338  0.84892563
   0.44464960  0.46767715  0.67793471
   0.22639061  0.31584564  0.70807493
   0.30076364  0.22996957 -0.08367879
   0.03771947  0.16443409  0.89431465
   0.14385946  0.55945033  0.05773815
   0.38715134  0.66222212  0.25863323
   0.11507660  0.83428632  0.04807167
   0.40283390  0.92717565  0.33504721
   0.42770980  0.88447384  0.15505731
   0.17854021  0.84977332  0.24175710
   0.30737444  0.65372332  0.44073268
   0.04876535  0.63506560  0.42748233
   0.16758461  0.51759226  0.57562350
   0.35391458  0.73096031  0.76093658
   0.15476184  0.77358538  0.58255516
   0.38642401  1.00972836  0.80346117
   0.44655180  0.89498097  0.64564917
   0.17278622  0.95774729  0.69913805
   0.27266937  0.72315214 -0.06934005
   0.02011915  0.66802103  0.91060852
   0.61770558  0.06837716  0.11714999
   0.82260084  0.21718166  0.25007957
   0.61051590  0.31739173  0.03603545
   0.93120321  0.42124199  0.35088524
   0.01524638  0.40537611  0.18187133
   0.75510901  0.46163126  0.16724651
   0.74022949  0.19599998  0.42230545
   0.47923220  0.12774264  0.45797743
   0.66464183  0.05047934  0.56742376
   0.82356975  0.20297805  0.78583519
   0.60640039  0.32853689  0.55440631
   0.89757940  0.44790311  0.85153745
   0.97186164  0.39680691  0.65108543
   0.71619824  0.42884147  0.70729023
   0.79773123  0.11474357  0.97355957
   0.54147076  0.10080531  0.92729576
   0.55710495  0.57864281  0.07711680
   0.85795993  0.68880882  0.30761375
   0.62360789  0.82089986  0.03503837
   0.80740446  0.97222973  0.32997829
   0.92138607  0.87421224  0.18394282
   0.66625108  0.83863607  0.22882667
   0.78472398  0.55300880  0.46089213
   0.55603264  0.55323833  0.39375867
   0.60188431  0.60244977  0.57989936
   0.82385604  0.71485366  0.80210462
   0.63737686  0.79343417  0.43110657
   0.90250029  0.96180004  0.82830121
   0.93151954  0.84860154  0.66425164
   0.68241309  0.92367710  0.74025354
   0.77522527  0.61942097  0.97306878
   0.52818266  0.65921117  0.90405101
   0.69864951  0.82423714  0.58053142
   0.69334982  0.84414766  0.47363132
   0.86663298  0.25876118  0.08073201
   1.01261448  0.41832885  0.29573018
   0.36430257  0.09605961  0.62432785
   0.38268857  0.69092139  0.69884528
  -0.02129235  1.12610125  0.13145413
   0.21017448  1.03257852 -0.00380765
   0.64337935  0.35257333  0.87301620
   0.91115723  0.34491452  0.61264446
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878627    0.564515   -0.148240
    -0.000000    9.843063    0.022297
    -0.000000    0.000000   13.912761
   Si   O    H 
    32    64    10
Direct configuration=  1465
   0.16928748  0.17179538 -0.03472509
   0.37059306  0.07892777  0.38049766
   0.14458960  0.41441534  0.10613516
   0.37618604  0.33169175  0.25351601
   0.08967310  0.12567890  0.46966763
   0.41263824  0.14629163  0.85536314
   0.12885520  0.36883379  0.61442871
   0.36225037  0.39285443  0.75547421
   0.13805910  0.69037595 -0.01142466
   0.39650966  0.57716994  0.36163594
   0.07334508  0.90309696  0.15372128
   0.34966688  0.83266623  0.24367572
   0.17873910  0.64711614  0.50684039
   0.37528065  0.64991566  0.85948425
   0.06835811  0.90270160  0.62294219
   0.33381672  0.99344320  0.69176954
   0.63551687  0.14276220  1.01517402
   0.84103706  0.13066808  0.34381384
   0.60909615  0.43251777  0.12025746
   0.87345240  0.33460623  0.17382553
   0.62165107  0.17855331  0.50026739
   0.89078625  0.11314927  0.87029951
   0.59745386  0.45260784  0.62416873
   0.77152927  0.36596299  0.80468389
   0.61917320  0.66861490 -0.00347817
   0.90970051  0.57821122  0.39156772
   0.58742673  0.90078103  0.13567301
   0.82272077  0.84049023  0.26802755
   0.64386715  0.63332223  0.46908089
   0.87909987  0.60937120  0.88036348
   0.60790709  0.92552501  0.63543485
   0.83386809  0.86224753  0.75514195
   0.06593470  0.06676061  0.13628457
   0.35265088  0.17617084  0.29378720
   0.11436192  0.30893075  0.02272388
   0.34548899  0.42629418  0.34873928
   0.51229555  0.38283931  0.21125509
   0.29038626  0.36121493  0.15461389
   0.23258181  0.05328272  0.43688485
  -0.00524524  0.15535105  0.37876923
   0.02257595  0.01169608  0.53627108
   0.46675656  0.24960843  0.77835414
   0.13381767  0.26699368  0.52080432
   0.33283295  0.49798799  0.84796381
   0.44299046  0.46681372  0.67778416
   0.22708987  0.31558816  0.70775896
   0.30055450  0.23039096 -0.08229855
   0.03784969  0.16573554  0.89350340
   0.14346174  0.55914251  0.05936685
   0.38798527  0.66430137  0.25824118
   0.11271831  0.83591590  0.04733427
   0.40293411  0.92730476  0.33474181
   0.42770070  0.88598953  0.15426613
   0.17813627  0.84917291  0.24229111
   0.31044865  0.65272136  0.44056963
   0.04802696  0.63604110  0.42954218
   0.16804380  0.51725905  0.57557156
   0.35330935  0.73055471  0.75982271
   0.15462084  0.77351503  0.58208901
   0.38526657  1.00995136  0.80248900
   0.44818961  0.89409319  0.64556046
   0.17189707  0.95768467  0.69808305
   0.27435546  0.72281066 -0.07033158
   0.02017616  0.66831654  0.91085023
   0.61705723  0.06763742  0.11769835
   0.82231443  0.21646484  0.24951449
   0.60857727  0.31659646  0.03536481
   0.93179831  0.42072191  0.35021841
   0.01554455  0.40609619  0.18221751
   0.75479552  0.46226011  0.16773427
   0.74054645  0.19537096  0.42240408
   0.47913881  0.12881032  0.45899836
   0.66574247  0.04933307  0.56775235
   0.82113478  0.20441706  0.78559306
   0.60633957  0.32882244  0.55381253
   0.89791312  0.44771298  0.85145841
   0.97158218  0.39657859  0.65012357
   0.71415294  0.42816903  0.70681151
   0.79672096  0.11518920  0.97312368
   0.54127596  0.09916130  0.92741356
   0.55842580  0.57892732  0.07693082
   0.85864790  0.68952853  0.30741298
   0.62447344  0.81809058  0.03471743
   0.80738211  0.97284743  0.33048025
   0.92173174  0.87604905  0.18362252
   0.66521914  0.83875271  0.22884070
   0.78677511  0.55204463  0.46156598
   0.55519479  0.55214885  0.39251999
   0.60117040  0.60292853  0.57985840
   0.82483713  0.71439625  0.80222240
   0.63808051  0.79112633  0.43207304
   0.90400795  0.96031293  0.82874902
   0.93284767  0.84790773  0.66475974
   0.68021077  0.92471386  0.73907534
   0.77445688  0.61999651  0.97284074
   0.52869654  0.65768119  0.90450050
   0.69197750  0.82559416  0.58108991
   0.69124477  0.84649445  0.47115837
   0.87154237  0.25717865  0.07743095
   1.00666390  0.40876520  0.30106872
   0.35815904  0.09313295  0.62513308
   0.38220462  0.68395471  0.69811129
  -0.01411500  1.12334297  0.13456523
   0.20870009  1.03363358 -0.00630503
   0.63635623  0.35490560  0.86988571
   0.91247973  0.34295749  0.60910749
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879219    0.565078   -0.146877
    -0.000000    9.843250    0.024965
    -0.000000    0.000000   13.912482
   Si   O    H 
    32    64    10
Direct configuration=  1466
   0.16841550  0.17203370 -0.03458497
   0.37051094  0.08017140  0.38094375
   0.14467697  0.41336571  0.10526352
   0.37730522  0.33124642  0.25364396
   0.08945443  0.12636000  0.47014898
   0.41336075  0.14445102  0.85677000
   0.12900297  0.36840997  0.61328399
   0.36305329  0.39235510  0.75614321
   0.13942528  0.69025089 -0.01131661
   0.39764203  0.57625032  0.36178746
   0.07340954  0.90356521  0.15363659
   0.34958429  0.83360694  0.24370151
   0.17976374  0.64716604  0.50685798
   0.37468463  0.65036418  0.85938141
   0.06937512  0.90239960  0.62358790
   0.33335029  0.99309936  0.69044409
   0.63692825  0.14194447  1.01614590
   0.84103710  0.13016372  0.34356469
   0.60916200  0.43219767  0.12003900
   0.87330106  0.33534448  0.17349852
   0.62111541  0.17759718  0.49994524
   0.89134105  0.11338215  0.87039441
   0.59787886  0.45212917  0.62416796
   0.77227272  0.36715106  0.80501443
   0.62037926  0.66801402 -0.00409850
   0.90904865  0.57664075  0.39102764
   0.58774031  0.90128489  0.13529903
   0.82247523  0.83902869  0.26854052
   0.64315421  0.63273694  0.46869701
   0.87820378  0.60800293  0.87932820
   0.60828955  0.92683172  0.63454728
   0.83632456  0.86285679  0.75581725
   0.06715799  0.06611141  0.13617865
   0.35289887  0.17670516  0.29297795
   0.11423247  0.31022945  0.02445020
   0.34476279  0.42579449  0.34938120
   0.51128653  0.38227058  0.21113543
   0.29014613  0.36187185  0.15451507
   0.23229419  0.05492401  0.43637374
  -0.00460171  0.15457295  0.37742805
   0.02231287  0.01044687  0.53683330
   0.46603090  0.25274457  0.77871437
   0.13272856  0.26879792  0.52028975
   0.33244887  0.49852990  0.84650381
   0.44240834  0.46554968  0.67757666
   0.22762051  0.31598271  0.70708641
   0.30013185  0.22999597 -0.08103386
   0.03777224  0.16770075  0.89301712
   0.14341792  0.55974976  0.06047388
   0.38806972  0.66649450  0.25816631
   0.11034537  0.83661511  0.04704173
   0.40293043  0.92732096  0.33415246
   0.42767710  0.88753951  0.15349208
   0.17787588  0.84921094  0.24265963
   0.31360294  0.65217295  0.44091621
   0.04709927  0.63802677  0.43133626
   0.16814537  0.51716065  0.57542576
   0.35326930  0.73080877  0.75827923
   0.15413094  0.77315234  0.58088437
   0.38360994  1.00936016  0.80168749
   0.45046797  0.89299316  0.64516792
   0.17226043  0.95845646  0.69753752
   0.27553298  0.72271016 -0.07057079
   0.02088031  0.66856039  0.91069968
   0.61659791  0.06713812  0.11803397
   0.82195576  0.21589368  0.24888257
   0.60748978  0.31644541  0.03504250
   0.93258689  0.42010146  0.34951684
   0.01617800  0.40703332  0.18253678
   0.75465020  0.46302778  0.16825000
   0.73911554  0.19388341  0.42335395
   0.47821456  0.12971342  0.45960623
   0.66660357  0.04796785  0.56885836
   0.81806379  0.20664358  0.78490176
   0.60633736  0.32759911  0.55308891
   0.89796234  0.44790303  0.85172430
   0.97253138  0.39685806  0.64915974
   0.71217019  0.42850125  0.70620295
   0.79516224  0.11563518  0.97239630
   0.54115377  0.09722430  0.92704190
   0.55914658  0.57973197  0.07728743
   0.85962798  0.68995390  0.30706187
   0.62570462  0.81615688  0.03470118
   0.80806928  0.97465174  0.33185219
   0.92216542  0.87785966  0.18306549
   0.66429769  0.83858585  0.22853686
   0.78875062  0.55052454  0.46216623
   0.55460466  0.55122418  0.39100449
   0.60066026  0.60317397  0.57959582
   0.82554255  0.71410776  0.80240539
   0.63804495  0.78741219  0.43308523
   0.90563453  0.95850432  0.82970505
   0.93402326  0.84697244  0.66527443
   0.67772119  0.92597939  0.73852709
   0.77365660  0.62034014  0.97221601
   0.52895368  0.65618209  0.90456516
   0.68300287  0.82493190  0.58496741
   0.69278310  0.85401751  0.47063572
   0.87320144  0.25466279  0.07248308
   0.99615123  0.40021546  0.30943301
   0.35008106  0.09907829  0.62188488
   0.37725599  0.68291361  0.70092073
  -0.01606073  1.12187216  0.13708390
   0.20690326  1.03236973 -0.00722875
   0.63368156  0.35763550  0.86408126
   0.91380037  0.34365124  0.60650418
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880195    0.566470   -0.146076
    -0.000000    9.843609    0.027972
    -0.000000    0.000000   13.911983
   Si   O    H 
    32    64    10
Direct configuration=  1467
   0.16745930  0.17201336 -0.03464877
   0.37037683  0.08086203  0.38149297
   0.14515384  0.41257887  0.10474394
   0.37815990  0.33032442  0.25348440
   0.08941510  0.12696766  0.47027703
   0.41475143  0.14236271  0.85807045
   0.12917414  0.36817445  0.61253025
   0.36390700  0.39134684  0.75644471
   0.13977054  0.68945007 -0.01103148
   0.39891426  0.57607109  0.36197204
   0.07378173  0.90381361  0.15341359
   0.34906013  0.83489532  0.24404023
   0.17940399  0.64662438  0.50717626
   0.37451158  0.65070096  0.85899346
   0.07011683  0.90259428  0.62386238
   0.33272677  0.99268665  0.68971680
   0.63862152  0.14145122  1.01662066
   0.84114043  0.12997250  0.34332337
   0.60890927  0.43213698  0.11980730
   0.87361991  0.33582569  0.17297747
   0.62066638  0.17646061  0.49962822
   0.89039462  0.11330303  0.87075060
   0.59809744  0.45135918  0.62401121
   0.77327876  0.36787517  0.80531222
   0.62176917  0.66776106 -0.00491681
   0.90834878  0.57534656  0.38991708
   0.58851272  0.90197335  0.13502517
   0.82145880  0.83763207  0.26904073
   0.64255905  0.63220654  0.46816041
   0.87699640  0.60701406  0.87912559
   0.60902152  0.92808011  0.63324219
   0.83717682  0.86332065  0.75608462
   0.06816370  0.06553295  0.13608242
   0.35246164  0.17806990  0.29179596
   0.11397611  0.31089073  0.02557588
   0.34443933  0.42485079  0.34970552
   0.51086767  0.38196266  0.21100320
   0.29002347  0.36289154  0.15471422
   0.23138561  0.05712906  0.43625662
  -0.00450983  0.15403930  0.37578256
   0.02188381  0.00989735  0.53704948
   0.46457810  0.25518722  0.77883983
   0.13217707  0.26931757  0.51962154
   0.33190491  0.49855048  0.84496389
   0.44150043  0.46449301  0.67704457
   0.22857846  0.31676419  0.70586608
   0.29988847  0.22960488 -0.08004153
   0.03770561  0.16892932  0.89264892
   0.14290569  0.56092823  0.06071350
   0.38785882  0.66948704  0.25790045
   0.10840864  0.83674465  0.04751312
   0.40290506  0.92657482  0.33371597
   0.42750174  0.88874415  0.15288808
   0.17783770  0.84908686  0.24333394
   0.31678477  0.65256623  0.44178527
   0.04666453  0.63932312  0.43320605
   0.16820113  0.51678706  0.57566060
   0.35399130  0.73051757  0.75727931
   0.15475833  0.77318629  0.58021224
   0.38212643  1.00899601  0.80160025
   0.45361057  0.89181370  0.64445819
   0.17233688  0.95944451  0.69679617
   0.27673715  0.72296548 -0.07050954
   0.02192768  0.66797914  0.91026159
   0.61549245  0.06618313  0.11900819
   0.82156320  0.21509439  0.24743136
   0.60734782  0.31620141  0.03498555
   0.93211214  0.42059393  0.34989276
   0.01716583  0.40768012  0.18296671
   0.75487202  0.46358091  0.16851819
   0.73838497  0.19268562  0.42459588
   0.47786186  0.13068480  0.46032617
   0.66784868  0.04744794  0.57025037
   0.81594384  0.20904882  0.78436756
   0.60683852  0.32514150  0.55231229
   0.89760577  0.44846435  0.85167864
   0.97284393  0.39673960  0.64827412
   0.71073279  0.42921365  0.70570508
   0.79339117  0.11627584  0.97166786
   0.54125581  0.09444272  0.92716090
   0.55884062  0.58058708  0.07778404
   0.86178148  0.68926537  0.30692470
   0.62802922  0.81505027  0.03502661
   0.80832019  0.97679413  0.33345867
   0.92274571  0.87896228  0.18258216
   0.66271738  0.83906244  0.22815046
   0.79028481  0.54862077  0.46279038
   0.55321712  0.55010975  0.39045739
   0.59941906  0.60369300  0.57912744
   0.82597215  0.71363654  0.80254717
   0.63855323  0.78459176  0.43451424
   0.90724155  0.95716156  0.83093655
   0.93525508  0.84552640  0.66578768
   0.67564449  0.92763032  0.73835910
   0.77288850  0.62031160  0.97087674
   0.52910171  0.65495859  0.90422625
   0.67596648  0.81704758  0.58671658
   0.68924139  0.85986660  0.46777102
   0.87395538  0.25414428  0.07465748
   1.00915247  0.38597380  0.30548062
   0.34098839  0.10873760  0.61667970
   0.37296190  0.68216824  0.70229856
  -0.02154778  1.11899503  0.13702185
   0.20361577  1.03063368 -0.00860132
   0.63921040  0.36267462  0.85902885
   0.91441873  0.34749813  0.60588761
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881080    0.567698   -0.145530
    -0.000000    9.844240    0.030705
    -0.000000    0.000000   13.911526
   Si   O    H 
    32    64    10
Direct configuration=  1468
   0.16662093  0.17179519 -0.03445058
   0.37094562  0.08103039  0.38218269
   0.14613844  0.41198464  0.10450763
   0.37894983  0.32948057  0.25315881
   0.08922724  0.12743427  0.47041891
   0.41617417  0.14019825  0.85909712
   0.12978975  0.36839094  0.61180202
   0.36497102  0.39062851  0.75681104
   0.13996231  0.68900656 -0.01020501
   0.39980389  0.57557784  0.36155169
   0.07410037  0.90412041  0.15305532
   0.34868688  0.83585942  0.24477801
   0.17850732  0.64631243  0.50723898
   0.37480057  0.65065299  0.85875136
   0.07054646  0.90239499  0.62437047
   0.33198439  0.99221269  0.68911328
   0.64028065  0.14166207  1.01699976
   0.84069460  0.12990851  0.34259238
   0.60874438  0.43214232  0.11956135
   0.87395980  0.33623889  0.17227485
   0.62014992  0.17482409  0.49952473
   0.88917009  0.11289449  0.87119193
   0.59807299  0.45071144  0.62394158
   0.77392515  0.36842879  0.80577190
   0.62354525  0.66770919 -0.00520098
   0.90885741  0.57471994  0.38880070
   0.58962295  0.90197368  0.13459192
   0.82010958  0.83723128  0.26953408
   0.64264108  0.63106845  0.46791827
   0.87634352  0.60585055  0.87869011
   0.60914586  0.92926443  0.63213847
   0.83769910  0.86378828  0.75621359
   0.06864691  0.06591562  0.13577448
   0.35164056  0.18040238  0.29051898
   0.11395273  0.31122949  0.02629692
   0.34290345  0.42328609  0.34925624
   0.51132725  0.38153208  0.21109374
   0.28877149  0.36408340  0.15515667
   0.23003302  0.05931966  0.43669941
  -0.00440686  0.15303234  0.37480465
   0.02088065  0.00927160  0.53730784
   0.46250472  0.25690336  0.77875096
   0.13136256  0.26977374  0.51912224
   0.33239428  0.49816736  0.84301228
   0.44067970  0.46352878  0.67647914
   0.22920464  0.31766680  0.70462434
   0.29987699  0.22943099 -0.07875662
   0.03654785  0.17001010  0.89270458
   0.14291308  0.56279052  0.06118359
   0.38771234  0.67146436  0.25789569
   0.10695293  0.83642964  0.04898914
   0.40379657  0.92678139  0.33362422
   0.42779343  0.88905394  0.15243577
   0.17846819  0.84928029  0.24323808
   0.31917000  0.65363897  0.44315767
   0.04638035  0.64061898  0.43479760
   0.16895690  0.51573788  0.57654187
   0.35383087  0.73051419  0.75698070
   0.15472218  0.77362049  0.57907694
   0.38053749  1.00798338  0.80113957
   0.45588920  0.89106605  0.64366671
   0.17291552  0.96130945  0.69670632
   0.27644503  0.72346386 -0.07013462
   0.02264312  0.66744163  0.90995371
   0.61427348  0.06475000  0.11958265
   0.82129191  0.21444749  0.24570560
   0.60781273  0.31560736  0.03488426
   0.93142513  0.42118384  0.34953003
   0.01783307  0.40870436  0.18357748
   0.75568051  0.46301946  0.16915143
   0.73833493  0.19198762  0.42539033
   0.47789175  0.13140069  0.46090662
   0.66796706  0.04748729  0.57103546
   0.81396967  0.21124647  0.78386455
   0.60743202  0.32217445  0.55080551
   0.89700738  0.44948411  0.85131963
   0.97312960  0.39623138  0.64792711
   0.70982037  0.42988593  0.70533958
   0.79115996  0.11626892  0.97115954
   0.54025285  0.09106397  0.92719340
   0.55873434  0.58112987  0.07832392
   0.86396659  0.68782399  0.30700667
   0.63060172  0.81489153  0.03567670
   0.80915940  0.97854252  0.33493033
   0.92309720  0.87921773  0.18213822
   0.66028311  0.83964902  0.22750860
   0.79139915  0.54812313  0.46345173
   0.55219669  0.55005554  0.39007520
   0.59882969  0.60445017  0.57914321
   0.82650045  0.71319404  0.80254836
   0.63981123  0.78273793  0.43615276
   0.90877347  0.95586419  0.83289666
   0.93506267  0.84495296  0.66607425
   0.67453113  0.92915277  0.73849786
   0.77284900  0.61995524  0.96870473
   0.52806297  0.65389165  0.90358070
   0.67166693  0.80547813  0.58690721
   0.67932824  0.86003451  0.46330120
   0.87699189  0.25423101  0.07932589
   1.01870698  0.37916464  0.30722686
   0.33315240  0.11471645  0.61603567
   0.37126935  0.67488478  0.69733597
  -0.02417187  1.11237326  0.13752462
   0.20076799  1.02810519 -0.00871940
   0.65384789  0.37170774  0.85752365
   0.91608067  0.34953530  0.60471216
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881933    0.568996   -0.145163
    -0.000000    9.844846    0.033883
    -0.000000    0.000000   13.910831
   Si   O    H 
    32    64    10
Direct configuration=  1469
   0.16507838  0.17133855 -0.03401879
   0.37127936  0.08100738  0.38288068
   0.14663662  0.41124897  0.10467720
   0.37941937  0.32921706  0.25333208
   0.08873953  0.12750732  0.47065858
   0.41704884  0.13874992  0.85977967
   0.13051019  0.36877051  0.61149546
   0.36596886  0.38969847  0.75684244
   0.14005778  0.68960934 -0.00944552
   0.40068782  0.57524093  0.36127604
   0.07422544  0.90372942  0.15275697
   0.34835282  0.83664176  0.24539528
   0.17813956  0.64647858  0.50688505
   0.37538582  0.65089222  0.85850346
   0.07070628  0.90200520  0.62436392
   0.33137846  0.99170395  0.68906748
   0.64176233  0.14186612  1.01736739
   0.84021700  0.13054021  0.34197130
   0.60815521  0.43217445  0.11926241
   0.87418144  0.33638694  0.17160476
   0.61941720  0.17315518  0.49928575
   0.88739798  0.11239679  0.87160158
   0.59758707  0.44999397  0.62388068
   0.77457733  0.36892551  0.80630752
   0.62508160  0.66804499 -0.00529052
   0.91037873  0.57416397  0.38810822
   0.59033947  0.90156228  0.13419161
   0.81868430  0.83740928  0.26976009
   0.64281206  0.62947560  0.46771501
   0.87591981  0.60463558  0.87846489
   0.60929231  0.92982913  0.63095808
   0.83748219  0.86495769  0.75662735
   0.06939914  0.06720393  0.13561598
   0.35124315  0.18291486  0.28982038
   0.11364538  0.31204479  0.02630516
   0.34157875  0.42069658  0.34851941
   0.51281926  0.38094324  0.21093054
   0.28729376  0.36505483  0.15600339
   0.22882772  0.06180301  0.43742195
  -0.00405005  0.15290740  0.37388725
   0.01952531  0.00960779  0.53737555
   0.46057530  0.25890087  0.77874213
   0.13072097  0.27044321  0.51926058
   0.33284007  0.49681865  0.84154128
   0.44032697  0.46325582  0.67580318
   0.23028695  0.31923830  0.70338018
   0.29992312  0.22843238 -0.07827408
   0.03551261  0.17119720  0.89297894
   0.14354262  0.56382962  0.06239616
   0.38731395  0.67307560  0.25871023
   0.10580048  0.83582912  0.05086692
   0.40417781  0.92701074  0.33351630
   0.42762475  0.88887640  0.15208791
   0.17888426  0.85001928  0.24310199
   0.32075720  0.65567826  0.44417904
   0.04600846  0.64190210  0.43602480
   0.16974340  0.51506471  0.57700156
   0.35390744  0.73048701  0.75706254
   0.15557728  0.77369158  0.57817478
   0.37882559  1.00741009  0.80070715
   0.45754733  0.89023564  0.64291411
   0.17422855  0.96296204  0.69717755
   0.27598821  0.72454184 -0.06973770
   0.02384262  0.66637722  0.91031047
   0.61339016  0.06195256  0.12039869
   0.82061919  0.21426874  0.24415900
   0.60849798  0.31549292  0.03530853
   0.93139320  0.42014467  0.34908585
   0.01938448  0.40998173  0.18371514
   0.75673403  0.46252455  0.16957999
   0.73894834  0.19178194  0.42592388
   0.47758894  0.13238093  0.46135439
   0.66791593  0.04811600  0.57107691
   0.81243925  0.21280990  0.78337871
   0.60865260  0.31992619  0.54977418
   0.89711530  0.44954938  0.85061776
   0.97350664  0.39584755  0.64844422
   0.70923822  0.43046754  0.70491348
   0.78885264  0.11605689  0.97028722
   0.53954295  0.08782031  0.92751145
   0.55923459  0.58071942  0.07928440
   0.86573171  0.68622589  0.30745759
   0.63335210  0.81519159  0.03629472
   0.80965257  0.98013077  0.33585227
   0.92255103  0.87939868  0.18208120
   0.65900660  0.83996356  0.22705490
   0.79231571  0.54793204  0.46396263
   0.55175103  0.54938354  0.39004701
   0.59845702  0.60459073  0.57855795
   0.82654139  0.71278769  0.80161694
   0.64028497  0.78110824  0.43765991
   0.90999044  0.95537091  0.83491050
   0.93494536  0.84361806  0.66640309
   0.67465960  0.93115227  0.73918871
   0.77366902  0.61976827  0.96646625
   0.52737056  0.65255804  0.90276634
   0.66594154  0.79568515  0.58853138
   0.66865839  0.86310524  0.46064610
   0.87685798  0.25698713  0.08581398
   1.01746141  0.38227334  0.31547440
   0.32543788  0.11480819  0.61884844
   0.36927720  0.67358309  0.69476779
  -0.02180066  1.10358495  0.13639828
   0.20199354  1.02379613 -0.00865220
   0.66580513  0.37553134  0.85928214
   0.91318062  0.34875230  0.60342364
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882606    0.569672   -0.144893
    -0.000000    9.844856    0.037083
    -0.000000    0.000000   13.910509
   Si   O    H 
    32    64    10
Direct configuration=  1470
   0.16356929  0.17140055 -0.03349572
   0.37150104  0.08092388  0.38361722
   0.14678352  0.41059504  0.10523221
   0.37926764  0.32929321  0.25318894
   0.08783315  0.12719638  0.47128168
   0.41742801  0.13775523  0.86030814
   0.13187210  0.36938157  0.61150889
   0.36654841  0.38865415  0.75669383
   0.14008586  0.69037549 -0.00909497
   0.40112831  0.57513070  0.36078834
   0.07440250  0.90331115  0.15270208
   0.34853960  0.83761483  0.24641908
   0.17783483  0.64683265  0.50625031
   0.37560178  0.65095056  0.85809092
   0.07075686  0.90191017  0.62394200
   0.33088296  0.99165218  0.68868007
   0.64302112  0.14220838  1.01785890
   0.83939773  0.13197302  0.34103369
   0.60778330  0.43229735  0.11901451
   0.87402649  0.33648428  0.17143645
   0.61847063  0.17202907  0.49919686
   0.88589327  0.11160886  0.87194209
   0.59701731  0.44987816  0.62378336
   0.77524326  0.36962434  0.80652086
   0.62609561  0.66817043 -0.00581016
   0.91212203  0.57403951  0.38751569
   0.59087218  0.90143470  0.13376754
   0.81700471  0.83772567  0.27010779
   0.64328581  0.62755160  0.46750958
   0.87567550  0.60368438  0.87832812
   0.60947941  0.92984393  0.62984471
   0.83656165  0.86590530  0.75737057
   0.07103435  0.06778733  0.13567760
   0.35197514  0.18434080  0.28909895
   0.11409334  0.31217493  0.02614749
   0.34023959  0.41935480  0.34814192
   0.51493463  0.38013187  0.21059268
   0.28553112  0.36650993  0.15694675
   0.22791432  0.06372828  0.43844475
  -0.00367982  0.15302561  0.37300027
   0.01871580  0.01090895  0.53777876
   0.46028797  0.26038526  0.77888700
   0.13054677  0.27091657  0.51893924
   0.33336137  0.49525635  0.84027640
   0.44088077  0.46356756  0.67475841
   0.23143659  0.32137897  0.70233087
   0.30016959  0.22765717 -0.07759206
   0.03497350  0.17217503  0.89376647
   0.14472640  0.56361051  0.06376422
   0.38710481  0.67422489  0.26017971
   0.10425785  0.83499446  0.05243945
   0.40523652  0.92786668  0.33396379
   0.42642898  0.88905167  0.15220375
   0.17853918  0.85052274  0.24349138
   0.32208753  0.65711993  0.44530103
   0.04575119  0.64274513  0.43712298
   0.17055029  0.51490567  0.57774441
   0.35450840  0.72987033  0.75692122
   0.15708347  0.77383874  0.57667651
   0.37741003  1.00735914  0.80110237
   0.45794686  0.88978522  0.64282668
   0.17502341  0.96441425  0.69734472
   0.27556205  0.72552882 -0.06887428
   0.02493765  0.66499650  0.91010145
   0.61327907  0.05947167  0.12140381
   0.82021893  0.21469632  0.24259926
   0.60888443  0.31564007  0.03576616
   0.93227553  0.41874215  0.34848774
   0.01957840  0.41089322  0.18360004
   0.75752091  0.46194282  0.16992663
   0.74020776  0.19091028  0.42603843
   0.47712405  0.13230133  0.46185097
   0.66760053  0.04896225  0.57122493
   0.81057294  0.21446534  0.78289589
   0.60909375  0.31876693  0.54912154
   0.89709576  0.44987720  0.84926383
   0.97386616  0.39568166  0.64921741
   0.70940301  0.43106347  0.70477459
   0.78707321  0.11615338  0.96908338
   0.53994588  0.08460995  0.92771754
   0.55919769  0.58070315  0.08056380
   0.86742636  0.68571717  0.30816167
   0.63601354  0.81637129  0.03760974
   0.81006205  0.98056331  0.33680580
   0.92111984  0.88016682  0.18189498
   0.65867020  0.83978981  0.22737363
   0.79313705  0.54851616  0.46470719
   0.55152203  0.54819714  0.38983332
   0.59834588  0.60401222  0.57778604
   0.82684076  0.71323002  0.80010688
   0.64064959  0.77958617  0.43869924
   0.91170135  0.95480769  0.83685455
   0.93413913  0.84282880  0.66631159
   0.67495583  0.93253051  0.73960247
   0.77413038  0.61914799  0.96414489
   0.52680539  0.65111716  0.90191127
   0.66367486  0.78972968  0.59263630
   0.66111654  0.87238601  0.46064499
   0.87584428  0.25489127  0.08627460
   1.00819793  0.39077989  0.32595829
   0.32032726  0.10817244  0.62302529
   0.36889758  0.67747838  0.70002051
  -0.02630733  1.09515540  0.13565477
   0.20341749  1.02265966 -0.00659275
   0.66735580  0.37970741  0.86930344
   0.91099603  0.35548207  0.60339276
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883076    0.570111   -0.144480
    -0.000000    9.845192    0.040245
    -0.000000    0.000000   13.910151
   Si   O    H 
    32    64    10
Direct configuration=  1471
   0.16177549  0.17145719 -0.03271059
   0.37184781  0.08072461  0.38417262
   0.14671455  0.41078293  0.10546123
   0.37850434  0.33039844  0.25286354
   0.08664017  0.12745657  0.47189550
   0.41790873  0.13751890  0.86052441
   0.13388494  0.36950474  0.61132967
   0.36644327  0.38821175  0.75646955
   0.13975024  0.69126228 -0.00873158
   0.40141623  0.57542295  0.35981589
   0.07423841  0.90255030  0.15281009
   0.34832233  0.83867821  0.24723491
   0.17740193  0.64684517  0.50541028
   0.37532905  0.65088159  0.85767872
   0.07025831  0.90126288  0.62320192
   0.33122791  0.99113588  0.68822570
   0.64454271  0.14249876  1.01802793
   0.83878572  0.13284411  0.34021760
   0.60679411  0.43205681  0.11896273
   0.87353063  0.33685640  0.17169062
   0.61832483  0.17155245  0.49929593
   0.88465316  0.11050091  0.87254631
   0.59613496  0.45029253  0.62422414
   0.77519601  0.36972225  0.80644369
   0.62702111  0.66775949 -0.00642315
   0.91423323  0.57436694  0.38721288
   0.59127310  0.90167338  0.13304110
   0.81606638  0.83807404  0.27091631
   0.64382097  0.62519883  0.46779881
   0.87577020  0.60328489  0.87849853
   0.60925374  0.92966593  0.62930104
   0.83546273  0.86676211  0.75796806
   0.07275018  0.06827140  0.13643256
   0.35237473  0.18443876  0.28871314
   0.11385238  0.31105022  0.02544111
   0.33928573  0.41916175  0.34766667
   0.51797426  0.37986707  0.20959713
   0.28386661  0.36763752  0.15800962
   0.22731752  0.06615826  0.43973221
  -0.00288200  0.15328662  0.37265635
   0.01797856  0.01191847  0.53809719
   0.46024599  0.26017071  0.77918475
   0.12998473  0.27144015  0.51900911
   0.33398055  0.49342286  0.83934364
   0.44196756  0.46401399  0.67365342
   0.23245513  0.32363070  0.70105669
   0.30067324  0.22616668 -0.07716622
   0.03415672  0.17250343  0.89389167
   0.14547059  0.56335839  0.06527223
   0.38750748  0.67500256  0.26198705
   0.10254801  0.83360671  0.05395375
   0.40662601  0.92903881  0.33464300
   0.42600051  0.88817336  0.15171797
   0.17762930  0.85129676  0.24411042
   0.32272722  0.65881208  0.44665105
   0.04459028  0.64416922  0.43803083
   0.17208129  0.51537520  0.57820845
   0.35418946  0.73024411  0.75695900
   0.15887398  0.77390390  0.57544794
   0.37551646  1.00643132  0.80169899
   0.45696623  0.88969301  0.64274895
   0.17471512  0.96542673  0.69693247
   0.27533520  0.72644235 -0.06738453
   0.02636646  0.66390409  0.90954420
   0.61356306  0.05811789  0.12158730
   0.82033276  0.21483281  0.24150786
   0.60919286  0.31504631  0.03586167
   0.92982884  0.41814232  0.34922005
   0.01968939  0.41154954  0.18386870
   0.75817463  0.46080832  0.17032771
   0.74111072  0.19065803  0.42617361
   0.47589870  0.13151263  0.46224657
   0.66697104  0.04962312  0.57140504
   0.80843673  0.21528693  0.78272660
   0.60956732  0.31811260  0.54873795
   0.89747874  0.44987005  0.84821756
   0.97363213  0.39509824  0.64948953
   0.70957259  0.43159429  0.70493089
   0.78541395  0.11717965  0.96811980
   0.54044810  0.08222213  0.92894416
   0.55837040  0.57970305  0.08138291
   0.86852360  0.68513436  0.30866107
   0.63774441  0.81774702  0.03922258
   0.80988836  0.98057742  0.33773703
   0.91929721  0.88160089  0.18218396
   0.65879701  0.83978305  0.22790030
   0.79349152  0.54974850  0.46512829
   0.55232386  0.54703042  0.38934614
   0.59813904  0.60322279  0.57684885
   0.82678192  0.71371530  0.79838783
   0.64096266  0.77894634  0.44012270
   0.91386964  0.95522163  0.83869029
   0.93374594  0.84306373  0.66622492
   0.67539083  0.93421500  0.74056792
   0.77448479  0.62001429  0.96222856
   0.52537532  0.64902350  0.90072930
   0.66144503  0.79131100  0.59789888
   0.65120576  0.87534867  0.45730360
   0.87406978  0.25340147  0.08661160
   1.02921705  0.38329788  0.32667170
   0.31936398  0.10625277  0.62773723
   0.36761715  0.68118789  0.70367200
  -0.02993248  1.08696934  0.13452046
   0.20492693  1.02751610 -0.00484866
   0.66333128  0.38100845  0.88436763
   0.91070268  0.36535702  0.60441617
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883612    0.570599   -0.144196
    -0.000000    9.845587    0.043036
    -0.000000    0.000000   13.909715
   Si   O    H 
    32    64    10
Direct configuration=  1472
   0.16024668  0.17104504 -0.03209195
   0.37166497  0.08027952  0.38469137
   0.14646978  0.41202424  0.10578073
   0.37770163  0.33197585  0.25251782
   0.08584855  0.12842849  0.47230773
   0.41817731  0.13756701  0.86071637
   0.13555520  0.37004974  0.61117890
   0.36625768  0.38807127  0.75639748
   0.13883437  0.69247079 -0.00852794
   0.40172199  0.57527034  0.35850687
   0.07408390  0.90182489  0.15347848
   0.34803874  0.83971961  0.24839559
   0.17689914  0.64676202  0.50448044
   0.37539894  0.65071641  0.85723355
   0.07046782  0.90073480  0.62241982
   0.33175181  0.99067809  0.68788901
   0.64570759  0.14260010  1.01864559
   0.83876353  0.13425099  0.33999753
   0.60539494  0.43213002  0.11941091
   0.87274350  0.33753936  0.17197161
   0.61855453  0.17090568  0.49902490
   0.88306862  0.10976289  0.87268503
   0.59523603  0.45045572  0.62565366
   0.77426813  0.37020043  0.80656547
   0.62736858  0.66713809 -0.00719307
   0.91651256  0.57434890  0.38691505
   0.59173593  0.90191793  0.13229457
   0.81551139  0.83874538  0.27186443
   0.64407385  0.62310764  0.46883710
   0.87637062  0.60367012  0.87856379
   0.60859996  0.92934862  0.62926355
   0.83470214  0.86813395  0.75867205
   0.07462158  0.06833449  0.13698303
   0.35325061  0.18387000  0.28852144
   0.11329737  0.30999596  0.02448510
   0.33872594  0.41966558  0.34668429
   0.52122842  0.38036854  0.20910164
   0.28258617  0.36775836  0.15896510
   0.22737310  0.06664946  0.44059009
  -0.00229741  0.15285110  0.37311726
   0.01812637  0.01374038  0.53876071
   0.46050649  0.25888463  0.77977255
   0.12953707  0.27155915  0.51960027
   0.33533612  0.49224203  0.83858296
   0.44313061  0.46387127  0.67171270
   0.23315356  0.32517387  0.69948482
   0.30150842  0.22491273 -0.07692364
   0.03303406  0.17301007  0.89406884
   0.14613459  0.56345114  0.06656712
   0.38849944  0.67565587  0.26423363
   0.10153253  0.83108832  0.05488240
   0.40827078  0.93060452  0.33490182
   0.42505012  0.88714719  0.15103992
   0.17639594  0.85258478  0.24423492
   0.32298114  0.66080175  0.44736177
   0.04281594  0.64564976  0.43865456
   0.17388351  0.51602500  0.57794601
   0.35370622  0.73110384  0.75771508
   0.16004911  0.77455567  0.57464579
   0.37431637  1.00537947  0.80233134
   0.45579434  0.88958433  0.64242068
   0.17369117  0.96658029  0.69727753
   0.27522624  0.72667296 -0.06553283
   0.02765902  0.66217443  0.90933485
   0.61421065  0.05692601  0.12045030
   0.82101679  0.21531490  0.24043145
   0.60873460  0.31387190  0.03610859
   0.92817254  0.41705246  0.34998137
   0.02080112  0.41172011  0.18390033
   0.75887621  0.45940977  0.17065675
   0.74201380  0.19048416  0.42576718
   0.47519513  0.13076783  0.46226589
   0.66696126  0.05081652  0.57087482
   0.80655570  0.21465954  0.78267607
   0.60893884  0.31783324  0.54825938
   0.89811229  0.44909460  0.84743171
   0.97415094  0.39475602  0.65001559
   0.70993084  0.43243574  0.70496118
   0.78399640  0.11827754  0.96688054
   0.54123331  0.08007939  0.93057863
   0.55717724  0.57876681  0.08109403
   0.86927743  0.68557850  0.30888922
   0.64000707  0.81849303  0.04059247
   0.80991875  0.97990818  0.33860643
   0.91737007  0.88232372  0.18234556
   0.65942074  0.83973092  0.22820330
   0.79397850  0.55142927  0.46532289
   0.55330080  0.54634845  0.38837732
   0.59730314  0.60249905  0.57646407
   0.82697895  0.71284545  0.79657560
   0.64128524  0.77887153  0.44112068
   0.91660457  0.95515106  0.84084835
   0.93337890  0.84294410  0.66603240
   0.67725085  0.93504599  0.74092997
   0.77410923  0.62051316  0.96093566
   0.52534705  0.64696178  0.89940679
   0.66063526  0.79918311  0.60277289
   0.64193056  0.87204490  0.45411704
   0.87742640  0.25063924  0.08448724
   1.03667130  0.38180626  0.33097014
   0.32026892  0.10800662  0.63190064
   0.36891140  0.67630097  0.69764343
  -0.02751045  1.08286882  0.13434143
   0.20528232  1.02862547 -0.00205401
   0.66384842  0.38240029  0.89541202
   0.90387037  0.37475836  0.60327285
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884216    0.570287   -0.143780
    -0.000000    9.845833    0.045345
    -0.000000    0.000000   13.909445
   Si   O    H 
    32    64    10
Direct configuration=  1473
   0.15912195  0.17119223 -0.03154250
   0.37115466  0.07960699  0.38463069
   0.14681176  0.41326320  0.10610404
   0.37679067  0.33404051  0.25195368
   0.08480900  0.12933037  0.47280273
   0.41788585  0.13802299  0.86091524
   0.13693840  0.37060876  0.61125234
   0.36592008  0.38939053  0.75598944
   0.13753091  0.69353238 -0.00804600
   0.40114532  0.57523903  0.35753790
   0.07405139  0.90135736  0.15434810
   0.34799931  0.84082616  0.24915905
   0.17630408  0.64693813  0.50376960
   0.37499073  0.65028280  0.85696813
   0.07061932  0.90024680  0.62158876
   0.33257706  0.99007229  0.68783586
   0.64628032  0.14291483  1.01922156
   0.83896744  0.13568146  0.34021790
   0.60426027  0.43232758  0.11979328
   0.87276510  0.33795446  0.17233607
   0.61909679  0.17047722  0.49880923
   0.88202827  0.10982449  0.87248809
   0.59408863  0.44981342  0.62688822
   0.77285625  0.37009877  0.80676080
   0.62682565  0.66566769 -0.00809315
   0.91830389  0.57479642  0.38638643
   0.59157040  0.90173247  0.13157723
   0.81509091  0.83916913  0.27294680
   0.64435072  0.62126728  0.46951142
   0.87729178  0.60442875  0.87856919
   0.60944003  0.92857498  0.62918343
   0.83338659  0.86913108  0.75943934
   0.07646324  0.06843916  0.13758169
   0.35422561  0.18350362  0.28826406
   0.11310537  0.30960485  0.02325999
   0.33915334  0.42149038  0.34578751
   0.52433004  0.38036709  0.20888822
   0.28124426  0.36793925  0.15971141
   0.22802386  0.06746712  0.44101810
  -0.00208765  0.15260231  0.37313846
   0.01833402  0.01533938  0.53922648
   0.46140316  0.25729916  0.78086017
   0.12954586  0.27201546  0.51998187
   0.33710827  0.49090698  0.83877172
   0.44415139  0.46398371  0.66951857
   0.23271214  0.32693601  0.69869663
   0.30264130  0.22340237 -0.07669713
   0.03134625  0.17346788  0.89402265
   0.14718828  0.56458872  0.06719528
   0.38930021  0.67728513  0.26609668
   0.10115759  0.82893929  0.05550329
   0.40913413  0.93192032  0.33481944
   0.42349844  0.88612863  0.15032484
   0.17560334  0.85375143  0.24407341
   0.32324263  0.66133155  0.44772480
   0.04113078  0.64718901  0.43925183
   0.17569536  0.51632429  0.57747440
   0.35250721  0.73104922  0.75747508
   0.16133608  0.77582544  0.57371200
   0.37311126  1.00482180  0.80330698
   0.45319415  0.89019569  0.64184228
   0.17262893  0.96736574  0.69817961
   0.27548937  0.72549868 -0.06398061
   0.02797822  0.65999897  0.90926671
   0.61592335  0.05595281  0.11917307
   0.82138770  0.21585090  0.23959060
   0.60900912  0.31258204  0.03661655
   0.92717755  0.41557865  0.35056117
   0.02149352  0.41189777  0.18369114
   0.75817210  0.45838984  0.17067097
   0.74203416  0.19000551  0.42557510
   0.47403162  0.13104566  0.46274679
   0.66750965  0.05148732  0.57054721
   0.80521064  0.21407065  0.78294543
   0.60814037  0.31764257  0.54833296
   0.89917350  0.44885723  0.84685824
   0.97430870  0.39407402  0.65067330
   0.71083479  0.43304059  0.70514876
   0.78274862  0.11927862  0.96552324
   0.54349497  0.07814553  0.93231403
   0.55577147  0.57761971  0.08046592
   0.86877648  0.68666757  0.30902940
   0.64189175  0.81929456  0.04206723
   0.81001798  0.97861105  0.33953296
   0.91569726  0.88271238  0.18240242
   0.66155326  0.83912007  0.22903564
   0.79401303  0.55313915  0.46502951
   0.55463359  0.54640346  0.38743284
   0.59592731  0.60137857  0.57610929
   0.82727274  0.71276656  0.79495077
   0.64166583  0.77802708  0.44214295
   0.91863869  0.95448900  0.84253039
   0.93273027  0.84359082  0.66633159
   0.67922165  0.93546938  0.74206604
   0.77340130  0.62062816  0.96042400
   0.52552838  0.64670832  0.89835244
   0.66503290  0.80679296  0.60471497
   0.63166907  0.87408580  0.45298053
   0.87961022  0.25135927  0.08498009
   1.02895520  0.38552841  0.33927584
   0.32136620  0.11540810  0.63270913
   0.36930942  0.67731407  0.69244546
  -0.02058390  1.08162407  0.13341716
   0.20745417  1.03244991  0.00013090
   0.66868063  0.38480414  0.89780093
   0.89818803  0.38199540  0.60354514
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884457    0.570215   -0.143796
    -0.000000    9.845876    0.047810
    -0.000000    0.000000   13.909217
   Si   O    H 
    32    64    10
Direct configuration=  1474
   0.15861470  0.17118864 -0.03123559
   0.37116345  0.07908054  0.38396225
   0.14758529  0.41442962  0.10607860
   0.37583734  0.33601305  0.25115460
   0.08439051  0.13014942  0.47324216
   0.41741908  0.13821105  0.86125096
   0.13749167  0.37139473  0.61092930
   0.36617897  0.39048124  0.75506123
   0.13619877  0.69492752 -0.00723311
   0.40029058  0.57536632  0.35706739
   0.07383161  0.90109171  0.15549973
   0.34813667  0.84172126  0.24996697
   0.17633696  0.64716375  0.50320228
   0.37423420  0.65031139  0.85658004
   0.07048156  0.90017957  0.62044387
   0.33314636  0.98950465  0.68821252
   0.64650221  0.14308127  1.01977396
   0.83947634  0.13745771  0.34030069
   0.60334443  0.43251834  0.12029423
   0.87252818  0.33870083  0.17274928
   0.61914130  0.17088714  0.49827665
   0.88187015  0.11032593  0.87243707
   0.59334543  0.44933133  0.62765725
   0.77123581  0.37057493  0.80669697
   0.62638773  0.66454848 -0.00849840
   0.91968736  0.57522339  0.38651142
   0.59158370  0.90148707  0.13166773
   0.81439507  0.84004874  0.27407413
   0.64514018  0.61959606  0.47036987
   0.87862340  0.60542528  0.87872214
   0.61061724  0.92782486  0.62970968
   0.83200869  0.87005704  0.76045790
   0.07792011  0.06834699  0.13783450
   0.35591972  0.18318139  0.28827342
   0.11295321  0.31017029  0.02205270
   0.34001666  0.42381374  0.34492932
   0.52740449  0.38008691  0.20911240
   0.28082063  0.36787538  0.16055579
   0.22940486  0.06769871  0.44069392
  -0.00131761  0.15230871  0.37284996
   0.01844104  0.01673314  0.53937879
   0.46222199  0.25618709  0.78181202
   0.12919608  0.27173341  0.52051112
   0.33813389  0.49060451  0.83961784
   0.44473486  0.46480773  0.66769811
   0.23267205  0.32977542  0.69846017
   0.30361372  0.22114378 -0.07647397
   0.02926553  0.17385645  0.89407878
   0.14829089  0.56635892  0.06790096
   0.38962499  0.67881822  0.26795502
   0.10117522  0.82617872  0.05622337
   0.40971004  0.93295127  0.33439565
   0.42189939  0.88554777  0.15014157
   0.17642441  0.85497619  0.24384495
   0.32326704  0.66122642  0.44831944
   0.03922241  0.64741011  0.43946955
   0.17719938  0.51685320  0.57627988
   0.35127926  0.73110447  0.75694519
   0.16296999  0.77779823  0.57275447
   0.37113762  1.00408940  0.80399231
   0.45042018  0.89144824  0.64106149
   0.17161123  0.96791404  0.69902840
   0.27579309  0.72385127 -0.06288322
   0.02771956  0.65860533  0.90978791
   0.61780149  0.05604174  0.11790560
   0.82103424  0.21635999  0.23870382
   0.60966786  0.31158287  0.03691383
   0.92761999  0.41385436  0.35122880
   0.02097850  0.41153346  0.18332679
   0.75694904  0.45766585  0.17036159
   0.74159716  0.18888565  0.42524898
   0.47232672  0.13118071  0.46301645
   0.66821585  0.05250220  0.56971492
   0.80446057  0.21344040  0.78371041
   0.60848345  0.31789713  0.54839679
   0.89997311  0.44870130  0.84690382
   0.97441446  0.39348499  0.65132736
   0.71134088  0.43333931  0.70510814
   0.78233929  0.12001643  0.96433008
   0.54562348  0.07723349  0.93436622
   0.55467641  0.57778381  0.07932437
   0.86775443  0.68854768  0.30862866
   0.64363463  0.81985628  0.04288170
   0.80995839  0.97608018  0.34025860
   0.91451721  0.88208967  0.18285033
   0.66411026  0.83845588  0.23007478
   0.79377123  0.55420025  0.46435207
   0.55717694  0.54670837  0.38626458
   0.59437175  0.60036694  0.57583071
   0.82803415  0.71297680  0.79375640
   0.64265326  0.77676425  0.44277610
   0.92014878  0.95362181  0.84387251
   0.93264149  0.84410643  0.66647761
   0.68140480  0.93546276  0.74333942
   0.77278477  0.62019870  0.96040550
   0.52628841  0.64592141  0.89710837
   0.67255065  0.80490577  0.60223384
   0.62516080  0.87712581  0.45168442
   0.88127427  0.25601427  0.08499110
   1.01155694  0.39023673  0.34680549
   0.32280957  0.12296590  0.63466160
   0.37260994  0.68432950  0.69236662
  -0.01610370  1.08797034  0.13300121
   0.20506609  1.03870948  0.00399271
   0.67441430  0.38772160  0.89420617
   0.89695331  0.39267988  0.60490658
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883942    0.569854   -0.143686
    -0.000000    9.846451    0.050701
    -0.000000    0.000000   13.908654
   Si   O    H 
    32    64    10
Direct configuration=  1475
   0.15812920  0.17128054 -0.03110770
   0.37128414  0.07858095  0.38353570
   0.14753552  0.41566750  0.10565062
   0.37509503  0.33772284  0.25091806
   0.08375929  0.13043352  0.47346315
   0.41753273  0.13862297  0.86200499
   0.13749009  0.37314670  0.61089092
   0.36628657  0.39098453  0.75383870
   0.13509540  0.69574036 -0.00627114
   0.39885860  0.57550937  0.35666984
   0.07370516  0.90063804  0.15639918
   0.34825780  0.84233519  0.25044477
   0.17636887  0.64769460  0.50260279
   0.37292759  0.65073386  0.85679154
   0.07008668  0.89961093  0.61958552
   0.33379172  0.98876164  0.68836811
   0.64551257  0.14309395  1.02028932
   0.84042478  0.13885291  0.34035181
   0.60333398  0.43241055  0.12045005
   0.87279938  0.33949780  0.17297606
   0.61905762  0.17137970  0.49774887
   0.88262214  0.11104931  0.87235155
   0.59385644  0.44844919  0.62808407
   0.76944018  0.37129418  0.80674640
   0.62554639  0.66351407 -0.00864600
   0.92078317  0.57550447  0.38696201
   0.59061060  0.90167651  0.13178731
   0.81440500  0.84063460  0.27542437
   0.64494686  0.61763063  0.47084545
   0.88059217  0.60603244  0.87910268
   0.61093521  0.92694315  0.63043135
   0.83076586  0.87028007  0.76149260
   0.07958413  0.06840417  0.13813996
   0.35777587  0.18248101  0.28875187
   0.11279884  0.31072093  0.02106932
   0.34061303  0.42599852  0.34381407
   0.52891616  0.37929625  0.20989454
   0.28083809  0.36704733  0.16111670
   0.23084996  0.06789696  0.44023587
  -0.00066854  0.15136389  0.37216789
   0.01831456  0.01764349  0.54011639
   0.46259067  0.25475200  0.78231272
   0.12873080  0.27070719  0.52138480
   0.33927172  0.48982436  0.84125224
   0.44440835  0.46551768  0.66612111
   0.23200666  0.33187305  0.69847409
   0.30423396  0.21827146 -0.07642260
   0.02645223  0.17391620  0.89449452
   0.14979537  0.56806987  0.06837852
   0.39026544  0.68043593  0.26917584
   0.10170235  0.82319437  0.05669851
   0.40905151  0.93306871  0.33411024
   0.42051128  0.88466390  0.14961092
   0.17739080  0.85589386  0.24305831
   0.32279614  0.66166462  0.44911295
   0.03851009  0.64746290  0.43989088
   0.17923874  0.51800535  0.57501615
   0.35035245  0.73061531  0.75663396
   0.16391948  0.77976039  0.57166873
   0.36996218  1.00325914  0.80479838
   0.44814137  0.89285438  0.64043990
   0.17020257  0.96792980  0.69953098
   0.27657005  0.72151754 -0.06191959
   0.02734282  0.65710806  0.91030147
   0.61942101  0.05749315  0.11717754
   0.82034959  0.21645810  0.23793967
   0.61057414  0.31045510  0.03805500
   0.92603208  0.41330954  0.35193697
   0.01993858  0.41134900  0.18317863
   0.75487007  0.45787113  0.16992276
   0.74079244  0.18832905  0.42550506
   0.47164271  0.13091760  0.46313162
   0.66826773  0.05304828  0.56941894
   0.80373317  0.21212074  0.78415107
   0.60795466  0.31927534  0.54910891
   0.90057247  0.44911451  0.84725404
   0.97454435  0.39364195  0.65194910
   0.71066574  0.43367661  0.70543488
   0.78357923  0.12031805  0.96370399
   0.54742661  0.07672810  0.93549594
   0.55395280  0.57837715  0.07842870
   0.86678310  0.68972287  0.30783108
   0.64525525  0.81884451  0.04279427
   0.81014308  0.97289436  0.34111367
   0.91337359  0.88154065  0.18361879
   0.66624933  0.83782406  0.23108441
   0.79447038  0.55576335  0.46401566
   0.56056017  0.54710697  0.38504441
   0.59282296  0.59966099  0.57579405
   0.82845763  0.71237010  0.79230330
   0.64343707  0.77550603  0.44337482
   0.92050119  0.95251478  0.84488959
   0.93295038  0.84473417  0.66632305
   0.68296400  0.93582226  0.74448001
   0.77273882  0.61983173  0.96050674
   0.52763657  0.64430502  0.89591733
   0.68252791  0.79768258  0.59822303
   0.62060109  0.87253227  0.45288403
   0.88505594  0.26217704  0.08387428
   1.02427010  0.38301508  0.34966296
   0.32586066  0.12738616  0.63657401
   0.37136512  0.69586574  0.69806073
  -0.02031877  1.09756406  0.13068916
   0.20241998  1.04197441  0.00738253
   0.68118751  0.39174601  0.88650754
   0.90350473  0.40374567  0.60937242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883288    0.569518   -0.143782
    -0.000000    9.847310    0.053500
    -0.000000    0.000000   13.908015
   Si   O    H 
    32    64    10
Direct configuration=  1476
   0.15761617  0.17149789 -0.03118100
   0.37143849  0.07863609  0.38289159
   0.14755880  0.41613075  0.10545771
   0.37475514  0.33915083  0.25066272
   0.08319983  0.13067985  0.47349031
   0.41740792  0.13875832  0.86233717
   0.13734480  0.37518888  0.61075073
   0.36628076  0.39138036  0.75270938
   0.13463954  0.69598061 -0.00537441
   0.39765707  0.57523634  0.35625156
   0.07321329  0.90103037  0.15661208
   0.34782251  0.84263918  0.25071259
   0.17675083  0.64803283  0.50203528
   0.37166817  0.65138320  0.85720471
   0.07016952  0.89928131  0.61880404
   0.33408270  0.98795058  0.68824247
   0.64456024  0.14365867  1.02001043
   0.84064835  0.14003255  0.34098692
   0.60331864  0.43237470  0.12036316
   0.87341707  0.34022860  0.17252588
   0.61923744  0.17255233  0.49756279
   0.88297254  0.11156287  0.87228563
   0.59397297  0.44786621  0.62835736
   0.76825123  0.37178743  0.80708226
   0.62455228  0.66267002 -0.00893610
   0.92125221  0.57598441  0.38748615
   0.58894877  0.90176113  0.13232324
   0.81453307  0.84107664  0.27629000
   0.64451695  0.61619051  0.47146789
   0.88240989  0.60671667  0.87897534
   0.61150510  0.92631691  0.63140309
   0.83005532  0.87001306  0.76258696
   0.07990884  0.06795680  0.13850715
   0.36021499  0.18174361  0.28913525
   0.11196015  0.31178624  0.02053517
   0.34215351  0.42836864  0.34286398
   0.52879260  0.37832799  0.21081361
   0.28041549  0.36629278  0.16182979
   0.23150098  0.06835370  0.43971342
  -0.00028474  0.15042565  0.37145100
   0.01771772  0.01828301  0.54043293
   0.46300833  0.25266224  0.78253011
   0.12842513  0.27032877  0.52258435
   0.34072033  0.48903256  0.84276307
   0.44367324  0.46630572  0.66472192
   0.23181246  0.33327011  0.69905871
   0.30501605  0.21625245 -0.07595969
   0.02420534  0.17353538  0.89433950
   0.15166160  0.56936841  0.06900933
   0.39078728  0.68273154  0.26993598
   0.10181721  0.82167040  0.05721849
   0.40845681  0.93282722  0.33407998
   0.41968059  0.88380637  0.14910732
   0.17854011  0.85598656  0.24149073
   0.32313729  0.66117136  0.44982679
   0.03812560  0.64819359  0.44015633
   0.18135058  0.51987698  0.57298992
   0.34920133  0.73168206  0.75686307
   0.16482047  0.78276505  0.57042580
   0.36938462  1.00314394  0.80557698
   0.44640879  0.89405829  0.63992733
   0.16819822  0.96829322  0.69981708
   0.27739598  0.71864674 -0.06166083
   0.02735405  0.65580356  0.91120385
   0.62101289  0.05889830  0.11636593
   0.81906351  0.21656064  0.23777081
   0.61231423  0.30945692  0.03906405
   0.92470359  0.41305336  0.35257218
   0.01930653  0.41155211  0.18315535
   0.75144403  0.45789730  0.16906582
   0.73995870  0.18835475  0.42616132
   0.47066152  0.13071101  0.46328104
   0.66753297  0.05250898  0.56973682
   0.80364251  0.21099012  0.78437613
   0.60744423  0.32069108  0.54995332
   0.90152933  0.44877608  0.84753950
   0.97611831  0.39323430  0.65341884
   0.70949032  0.43399091  0.70599253
   0.78562613  0.12091024  0.96318880
   0.54847537  0.07727288  0.93651405
   0.55350430  0.57791537  0.07753008
   0.86579095  0.69054290  0.30701940
   0.64697899  0.81702136  0.04225307
   0.81055523  0.96996003  0.34223390
   0.91224611  0.88054182  0.18463646
   0.66730576  0.83703594  0.23128806
   0.79479524  0.55756763  0.46375100
   0.56401250  0.54728693  0.38407398
   0.59134551  0.59848350  0.57551986
   0.82962341  0.71073918  0.79074926
   0.64389212  0.77497935  0.44343209
   0.92063710  0.95132507  0.84541465
   0.93249998  0.84542955  0.66567945
   0.68392712  0.93667048  0.74550131
   0.77223135  0.62029014  0.96096192
   0.52938504  0.64267068  0.89490007
   0.69056819  0.79397944  0.59480834
   0.61472381  0.86375314  0.45446537
   0.88891975  0.26474007  0.08478004
   1.03148486  0.37636081  0.35136896
   0.33172137  0.12737721  0.63909790
   0.37717011  0.69861387  0.69598877
  -0.01767845  1.10894123  0.12664016
   0.20314237  1.04069266  0.00691827
   0.68211179  0.39621452  0.87908517
   0.90082143  0.41730202  0.60774145
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882699    0.569018   -0.144018
    -0.000000    9.848073    0.056456
    -0.000000    0.000000   13.907573
   Si   O    H 
    32    64    10
Direct configuration=  1477
   0.15718877  0.17143075 -0.03181979
   0.37161737  0.07896123  0.38213596
   0.14687941  0.41647830  0.10502879
   0.37491603  0.34024477  0.25028781
   0.08294758  0.13122984  0.47361033
   0.41783756  0.13775838  0.86231521
   0.13640118  0.37718040  0.61074638
   0.36656206  0.39103911  0.75205564
   0.13475693  0.69636631 -0.00474150
   0.39666294  0.57498286  0.35632091
   0.07253029  0.90146110  0.15652717
   0.34748144  0.84261860  0.25140005
   0.17668802  0.64845876  0.50205755
   0.37078777  0.65222859  0.85757368
   0.06954271  0.89917534  0.61769739
   0.33352115  0.98813453  0.68860051
   0.64374787  0.14457638  1.01934193
   0.84116937  0.14120962  0.34136974
   0.60359722  0.43207837  0.12026574
   0.87495841  0.34118648  0.17214510
   0.61964495  0.17352999  0.49739642
   0.88310505  0.11236452  0.87204519
   0.59360057  0.44614255  0.62868081
   0.76778302  0.37240244  0.80738025
   0.62330665  0.66245971 -0.00972459
   0.91988593  0.57622756  0.38787415
   0.58710886  0.90158770  0.13280353
   0.81482985  0.84142200  0.27664349
   0.64377784  0.61466542  0.47168666
   0.88408541  0.60737000  0.87886455
   0.61266253  0.92572291  0.63202285
   0.83024819  0.86997060  0.76397539
   0.08027219  0.06686156  0.13892782
   0.36265081  0.18141786  0.28906407
   0.11137116  0.31329735  0.01967857
   0.34307095  0.43062064  0.34159910
   0.52762971  0.37745136  0.21227770
   0.27986907  0.36511593  0.16282880
   0.23212951  0.06844885  0.43901956
  -0.00001527  0.14978044  0.37115004
   0.01718583  0.01978548  0.54084874
   0.46393676  0.25043003  0.78217322
   0.12804836  0.27000364  0.52349827
   0.34208913  0.48837167  0.84453220
   0.44313424  0.46705045  0.66392263
   0.23179457  0.33413874  0.69982964
   0.30499670  0.21421199 -0.07561548
   0.02283090  0.17342201  0.89388380
   0.15333194  0.57057239  0.06962133
   0.39085807  0.68429147  0.27051151
   0.10153048  0.81990952  0.05811707
   0.40788925  0.93365034  0.33440299
   0.41888095  0.88347798  0.14914655
   0.17938740  0.85608775  0.24029648
   0.32334470  0.66077587  0.45024533
   0.03831051  0.64873630  0.44049477
   0.18311640  0.52147955  0.57188453
   0.34858038  0.73230254  0.75779450
   0.16500732  0.78583846  0.56969239
   0.36887031  1.00378931  0.80623042
   0.44486383  0.89450324  0.63915246
   0.16626160  0.96854390  0.69950953
   0.27799913  0.71533372 -0.06147417
   0.02746358  0.65506376  0.91230181
   0.62251448  0.06001577  0.11565743
   0.81850914  0.21637591  0.23757715
   0.61433703  0.30798521  0.03977555
   0.92482192  0.41246469  0.35322694
   0.01898558  0.41144901  0.18382808
   0.74881695  0.45841157  0.16870262
   0.73864548  0.18824300  0.42671431
   0.46989495  0.13048271  0.46376933
   0.66744621  0.05145137  0.57021168
   0.80414000  0.21053387  0.78427957
   0.60731520  0.32176626  0.55098792
   0.90164858  0.44869663  0.84814160
   0.97722386  0.39297578  0.65508563
   0.70868301  0.43472034  0.70697228
   0.78753980  0.12194499  0.96365986
   0.54895879  0.07765327  0.93730007
   0.55345257  0.57833793  0.07704042
   0.86533223  0.69085709  0.30690288
   0.64884494  0.81461625  0.04148730
   0.81189729  0.96931360  0.34363325
   0.91203924  0.87950315  0.18512014
   0.66783510  0.83649809  0.23147607
   0.79567569  0.55916735  0.46353307
   0.56666941  0.54743368  0.38333983
   0.59014502  0.59727839  0.57567431
   0.83074890  0.70870847  0.78995516
   0.64426354  0.77431094  0.44302855
   0.92025046  0.95021021  0.84551029
   0.93202710  0.84667295  0.66506788
   0.68418127  0.93779678  0.74628146
   0.77327269  0.62108864  0.96146398
   0.53114649  0.64173615  0.89387295
   0.69127196  0.79766066  0.59298858
   0.60486436  0.86380795  0.45729827
   0.89005821  0.26633514  0.08197537
   1.02615890  0.37648257  0.35174573
   0.33808924  0.12165356  0.64269412
   0.38141694  0.69869578  0.68861613
  -0.00392077  1.11633551  0.12572393
   0.20362782  1.03968444  0.00795361
   0.67838719  0.39929004  0.87628311
   0.90111640  0.42971667  0.60763214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882387    0.568069   -0.144403
    -0.000000    9.848589    0.059582
    -0.000000    0.000000   13.907940
   Si   O    H 
    32    64    10
Direct configuration=  1478
   0.15701819  0.17100417 -0.03261505
   0.37161691  0.07973442  0.38171292
   0.14650200  0.41651484  0.10541594
   0.37544516  0.34047030  0.24992224
   0.08301352  0.13125488  0.47351728
   0.41861918  0.13670422  0.86184186
   0.13587149  0.37959659  0.61107897
   0.36664451  0.39032265  0.75158559
   0.13489883  0.69665362 -0.00494113
   0.39575678  0.57597023  0.35637010
   0.07178281  0.90182362  0.15697669
   0.34711588  0.84314963  0.25170908
   0.17612027  0.64905976  0.50188569
   0.37001794  0.65300885  0.85745522
   0.06898136  0.89916454  0.61685591
   0.33227358  0.98837509  0.68926738
   0.64334415  0.14590042  1.01859896
   0.84182779  0.14227528  0.34193833
   0.60356258  0.43172066  0.12026661
   0.87593371  0.34227063  0.17164119
   0.62032734  0.17475616  0.49712326
   0.88322910  0.11277865  0.87140891
   0.59326155  0.44418225  0.62876094
   0.76791019  0.37295769  0.80741674
   0.62175626  0.66234830 -0.01046104
   0.91743173  0.57721812  0.38829861
   0.58501119  0.90133708  0.13329869
   0.81516077  0.84113200  0.27706825
   0.64297106  0.61342048  0.47135329
   0.88547800  0.60858438  0.87881508
   0.61358125  0.92517588  0.63265668
   0.83084372  0.87059992  0.76473445
   0.08072112  0.06564258  0.13989948
   0.36606638  0.18186796  0.28836741
   0.11125011  0.31505453  0.01920106
   0.34315898  0.43275935  0.34060114
   0.52649327  0.37706518  0.21399979
   0.27924259  0.36400298  0.16354777
   0.23274570  0.06777378  0.43810622
   0.00009262  0.14882572  0.37055481
   0.01626026  0.02036375  0.54110062
   0.46499564  0.24865588  0.78221085
   0.12690709  0.27020438  0.52423385
   0.34355772  0.48732617  0.84644427
   0.44237629  0.46773818  0.66323053
   0.23173777  0.33577492  0.70055562
   0.30434901  0.21213583 -0.07465972
   0.02200938  0.17345474  0.89342777
   0.15567710  0.57146550  0.06958385
   0.39122031  0.68544069  0.27084083
   0.10093833  0.81929186  0.05840751
   0.40753337  0.93375107  0.33545705
   0.41856512  0.88279069  0.14892378
   0.18135479  0.85691989  0.23916273
   0.32349831  0.65987769  0.45052605
   0.03789285  0.64923317  0.44131218
   0.18449422  0.52319313  0.57063726
   0.34767367  0.73255855  0.75816737
   0.16604918  0.78797934  0.56862743
   0.36848183  1.00411144  0.80728847
   0.44463286  0.89458586  0.63792027
   0.16470717  0.96833273  0.69907307
   0.27799587  0.71314461 -0.06087105
   0.02766523  0.65424804  0.91345492
   0.62325897  0.06140322  0.11548924
   0.81755429  0.21596605  0.23786173
   0.61664721  0.30699355  0.03969148
   0.92582474  0.41248119  0.35398312
   0.01914483  0.41197247  0.18472101
   0.74737166  0.45897278  0.16799504
   0.73751756  0.18917981  0.42708147
   0.47011393  0.13067714  0.46438240
   0.66762903  0.05052156  0.57074998
   0.80520889  0.20970216  0.78488965
   0.60653181  0.32294263  0.55202970
   0.90214746  0.44861818  0.84893064
   0.97803876  0.39310548  0.65672549
   0.70701784  0.43563314  0.70794255
   0.78930154  0.12362508  0.96441015
   0.54841630  0.07800515  0.93774207
   0.55316691  0.57864832  0.07670104
   0.86473055  0.68995306  0.30647875
   0.64941252  0.81163273  0.04059898
   0.81318730  0.96896375  0.34527245
   0.91279859  0.87846071  0.18531551
   0.66727469  0.83663625  0.23084550
   0.79651894  0.55991416  0.46360952
   0.56868776  0.54731141  0.38266808
   0.58873712  0.59645291  0.57537814
   0.83182467  0.70643835  0.78963821
   0.64444701  0.77340554  0.44266204
   0.91963705  0.94922402  0.84544776
   0.93159368  0.84870273  0.66472639
   0.68418421  0.93880816  0.74638429
   0.77391232  0.62164771  0.96181395
   0.53314510  0.64153402  0.89330404
   0.68733342  0.80698155  0.59495750
   0.59338226  0.86185271  0.46073758
   0.88789072  0.26709719  0.07755946
   1.01086691  0.38116782  0.35245072
   0.34239835  0.11746602  0.64475407
   0.38339567  0.69854675  0.69094445
   0.00603772  1.12679580  0.12381612
   0.20421145  1.04088523  0.00746183
   0.66390878  0.40294300  0.87909150
   0.91229387  0.43304498  0.61251002
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881559    0.566106   -0.144272
    -0.000000    9.848976    0.062439
    -0.000000    0.000000   13.908277
   Si   O    H 
    32    64    10
Direct configuration=  1479
   0.15718081  0.17021057 -0.03376095
   0.37155447  0.08110948  0.38162161
   0.14628803  0.41667779  0.10598441
   0.37708438  0.33974007  0.24988232
   0.08276764  0.13127357  0.47289538
   0.41974958  0.13606789  0.86173086
   0.13478215  0.38197848  0.61143222
   0.36688896  0.38975816  0.75119292
   0.13526824  0.69598464 -0.00565721
   0.39509299  0.57725718  0.35672692
   0.07107989  0.90295367  0.15725769
   0.34649317  0.84407137  0.25191894
   0.17546964  0.64962947  0.50158316
   0.36957280  0.65407870  0.85742674
   0.06850824  0.89919941  0.61644975
   0.33070387  0.98838382  0.69022726
   0.64244326  0.14685192  1.01786655
   0.84262720  0.14301446  0.34244968
   0.60388137  0.43073197  0.12107036
   0.87683555  0.34333015  0.17147412
   0.62131321  0.17588413  0.49743112
   0.88355301  0.11287918  0.87093259
   0.59262245  0.44314818  0.62897301
   0.76793403  0.37343556  0.80735262
   0.62071158  0.66254147 -0.01129269
   0.91497774  0.57821989  0.38844229
   0.58283511  0.90099107  0.13391956
   0.81550672  0.84129994  0.27744535
   0.64230870  0.61214426  0.47093053
   0.88615190  0.61033547  0.87849806
   0.61432494  0.92470281  0.63328159
   0.83214562  0.86995161  0.76529809
   0.08205829  0.06399821  0.14127933
   0.36824074  0.18313050  0.28745466
   0.11143163  0.31732742  0.01901021
   0.34333542  0.43361016  0.34004459
   0.52454385  0.37623609  0.21555657
   0.27848676  0.36287216  0.16361535
   0.23262042  0.06679806  0.43723097
   0.00066675  0.14824551  0.37036270
   0.01572451  0.02018470  0.54062860
   0.46580662  0.24694250  0.78169197
   0.12591844  0.26993403  0.52428586
   0.34534651  0.48646172  0.84742048
   0.44161717  0.46830738  0.66253046
   0.23237209  0.33737799  0.70115401
   0.30332627  0.21043661 -0.07349319
   0.02155818  0.17350466  0.89376110
   0.15790893  0.57182082  0.06972581
   0.39230405  0.68602379  0.27133312
   0.10033974  0.81977752  0.05916444
   0.40804320  0.93334200  0.33641930
   0.41822292  0.88208796  0.14842227
   0.18258753  0.85819826  0.23790301
   0.32434487  0.65882616  0.45021779
   0.03807012  0.65025503  0.44209104
   0.18555246  0.52423761  0.56941896
   0.34727195  0.73286142  0.75779130
   0.16649582  0.78892528  0.56730588
   0.36854148  1.00485844  0.80802532
   0.44550261  0.89459204  0.63706265
   0.16402454  0.96823054  0.69848234
   0.27795872  0.71211404 -0.06032768
   0.02750444  0.65342830  0.91440683
   0.62375985  0.06212971  0.11543816
   0.81740153  0.21486827  0.23787430
   0.61897427  0.30631715  0.03911319
   0.92528503  0.41347050  0.35476148
   0.02055442  0.41269886  0.18560285
   0.74611466  0.45917256  0.16730764
   0.73811505  0.19012894  0.42675252
   0.47041227  0.13172947  0.46486544
   0.66760449  0.04971410  0.57066802
   0.80631160  0.20923182  0.78591776
   0.60718378  0.32362803  0.55293065
   0.90250445  0.44754614  0.85006492
   0.97959082  0.39313673  0.65843179
   0.70529741  0.43589409  0.70911666
   0.79099534  0.12439883  0.96527226
   0.54724387  0.07912155  0.93832114
   0.55162177  0.57807677  0.07657478
   0.86481236  0.68880665  0.30552341
   0.64903192  0.80971556  0.03918564
   0.81455362  0.96891607  0.34675313
   0.91333684  0.87694902  0.18563413
   0.66589368  0.83733770  0.22958769
   0.79770875  0.56080594  0.46329707
   0.56966019  0.54655747  0.38200753
   0.58828638  0.59524402  0.57520367
   0.83317332  0.70548213  0.78973736
   0.64434439  0.77347033  0.44188101
   0.91904713  0.94888535  0.84557959
   0.93110432  0.85001336  0.66444125
   0.68353459  0.93972080  0.74651027
   0.77426566  0.62224444  0.96185097
   0.53469874  0.64167126  0.89273399
   0.68120344  0.81636310  0.59654720
   0.58933750  0.85095824  0.46152446
   0.88237415  0.27006931  0.07683653
   1.01799565  0.37521043  0.35637779
   0.34649896  0.11732227  0.64452936
   0.37867338  0.70119769  0.69965943
   0.01109147  1.13557998  0.12033266
   0.20189585  1.04123106  0.00625007
   0.65124911  0.40708401  0.88210506
   0.91684735  0.43741731  0.61622677
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880845    0.564883   -0.144396
    -0.000000    9.849357    0.065077
    -0.000000    0.000000   13.908526
   Si   O    H 
    32    64    10
Direct configuration=  1480
   0.15783281  0.16954301 -0.03488490
   0.37124206  0.08202488  0.38149172
   0.14541339  0.41712907  0.10662957
   0.37863988  0.33918254  0.25023286
   0.08270069  0.13149158  0.47214897
   0.42157693  0.13612320  0.86200131
   0.13356430  0.38426561  0.61210864
   0.36687745  0.38913232  0.75089307
   0.13558670  0.69516249 -0.00660358
   0.39512923  0.57773004  0.35723592
   0.06968349  0.90392275  0.15719015
   0.34575380  0.84476761  0.25196612
   0.17478673  0.65046076  0.50122573
   0.36954782  0.65540498  0.85764008
   0.06794327  0.89921085  0.61649493
   0.32954240  0.98839387  0.69172922
   0.64138714  0.14735353  1.01705965
   0.84323535  0.14343532  0.34296306
   0.60385592  0.42983760  0.12185424
   0.87720372  0.34505548  0.17155997
   0.62199184  0.17709984  0.49791190
   0.88356853  0.11321296  0.87058469
   0.59222213  0.44264583  0.62907360
   0.76823085  0.37372595  0.80741645
   0.61983233  0.66309623 -0.01159697
   0.91281438  0.57896069  0.38802443
   0.58075063  0.90006498  0.13456545
   0.81588971  0.84119893  0.27726993
   0.64175354  0.61104179  0.47025643
   0.88713997  0.61131028  0.87784574
   0.61486400  0.92441834  0.63417956
   0.83397018  0.86856272  0.76588369
   0.08308128  0.06330325  0.14244432
   0.37036289  0.18422061  0.28665835
   0.11119157  0.31879054  0.01851258
   0.34283499  0.43495168  0.34010130
   0.52358069  0.37547601  0.21685583
   0.27765763  0.36227364  0.16298824
   0.23252218  0.06620257  0.43606664
   0.00152343  0.14783312  0.37015038
   0.01579080  0.01926334  0.54039865
   0.46681227  0.24565358  0.78092710
   0.12528375  0.26993303  0.52452470
   0.34750398  0.48615177  0.84756078
   0.44030429  0.46794739  0.66232728
   0.23322719  0.33798421  0.70186424
   0.30247958  0.20847413 -0.07231317
   0.02225096  0.17295678  0.89409216
   0.16020765  0.57189532  0.06966867
   0.39299941  0.68603067  0.27228847
   0.09949938  0.82065045  0.06027709
   0.40859826  0.93315610  0.33680816
   0.41860750  0.88181600  0.14743902
   0.18398872  0.85905466  0.23684574
   0.32449342  0.65799594  0.45045574
   0.03838439  0.65142490  0.44246198
   0.18712755  0.52451373  0.56816982
   0.34653613  0.73399235  0.75801290
   0.16676817  0.78949480  0.56580103
   0.36890883  1.00533605  0.80860019
   0.44684658  0.89463809  0.63598197
   0.16374171  0.96761591  0.69770391
   0.27735465  0.71189646 -0.05960921
   0.02761966  0.65289401  0.91566283
   0.62380041  0.06260862  0.11633126
   0.81783955  0.21378408  0.23783386
   0.62079882  0.30654728  0.03906587
   0.92579352  0.41477740  0.35490895
   0.02143646  0.41321322  0.18637066
   0.74521693  0.45939716  0.16720403
   0.73983427  0.19114887  0.42660725
   0.47038821  0.13293691  0.46514427
   0.66683477  0.04903137  0.57083291
   0.80738083  0.20844989  0.78661406
   0.60771360  0.32467073  0.55343468
   0.90319963  0.44596560  0.85112616
   0.98164026  0.39271970  0.66026996
   0.70426447  0.43644787  0.70992893
   0.79211264  0.12569107  0.96572646
   0.54499675  0.08036266  0.93801351
   0.55059614  0.57777890  0.07632351
   0.86486463  0.68721787  0.30475799
   0.64886161  0.80659322  0.03790984
   0.81595792  0.96870532  0.34832953
   0.91349980  0.87664366  0.18604930
   0.66353181  0.83812038  0.22842391
   0.79892591  0.56119524  0.46336151
   0.56932543  0.54617264  0.38098962
   0.58761242  0.59411693  0.57490002
   0.83505347  0.70479371  0.78938484
   0.64424813  0.77351088  0.44100887
   0.91746934  0.94886199  0.84592565
   0.93009411  0.85119977  0.66383773
   0.68309422  0.94110404  0.74595145
   0.77451865  0.62230946  0.96140550
   0.53540974  0.64212672  0.89207898
   0.68187923  0.81401720  0.59575112
   0.58659917  0.83927967  0.46272116
   0.87765778  0.27540584  0.07583260
   1.02533487  0.36569703  0.35920796
   0.34889254  0.11836647  0.64476594
   0.37873368  0.69745541  0.69811808
   0.01667467  1.13815812  0.12024764
   0.19583539  1.03819717  0.00537562
   0.64426040  0.40783827  0.88274910
   0.91222487  0.44389333  0.61725223
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880274    0.563025   -0.144051
    -0.000000    9.849026    0.068087
    -0.000000    0.000000   13.908868
   Si   O    H 
    32    64    10
Direct configuration=  1481
   0.15817224  0.16921593 -0.03598744
   0.37106959  0.08264825  0.38151263
   0.14444053  0.41728139  0.10694264
   0.38033071  0.33842924  0.25010656
   0.08270839  0.13128451  0.47168970
   0.42361032  0.13586141  0.86256997
   0.13220481  0.38679359  0.61244846
   0.36754394  0.38983603  0.75070848
   0.13549902  0.69422471 -0.00747495
   0.39570678  0.57835814  0.35818040
   0.06857520  0.90465691  0.15718201
   0.34564489  0.84496586  0.25176821
   0.17418266  0.65165307  0.50123887
   0.36965724  0.65611797  0.85795118
   0.06741577  0.89901224  0.61636941
   0.32763331  0.98843909  0.69291850
   0.64051951  0.14739191  1.01598142
   0.84430149  0.14328132  0.34331175
   0.60426229  0.42865615  0.12241763
   0.87717525  0.34702898  0.17135225
   0.62200464  0.17839366  0.49797046
   0.88304337  0.11317371  0.87036546
   0.59169978  0.44225220  0.62898774
   0.76794759  0.37422782  0.80801141
   0.61860705  0.66423196 -0.01177668
   0.91060576  0.57983126  0.38760558
   0.57850638  0.89889693  0.13484544
   0.81584016  0.84144750  0.27696066
   0.64105276  0.61003595  0.47003388
   0.88745962  0.61224761  0.87716019
   0.61586088  0.92427292  0.63518403
   0.83577652  0.86669815  0.76577459
   0.08398259  0.06318909  0.14327805
   0.37162839  0.18468138  0.28632848
   0.11109011  0.31986143  0.01809247
   0.34181431  0.43642790  0.34048019
   0.52238523  0.37525943  0.21836051
   0.27685270  0.36182313  0.16190993
   0.23144323  0.06575473  0.43465457
   0.00233209  0.14692710  0.36993833
   0.01579677  0.01835949  0.53990064
   0.46837702  0.24500042  0.78015604
   0.12477912  0.27030542  0.52423030
   0.34972242  0.48601153  0.84770425
   0.43963062  0.46731304  0.66289148
   0.23362305  0.33893721  0.70237284
   0.30225645  0.20648348 -0.07166733
   0.02309252  0.17299737  0.89460625
   0.16269989  0.57232140  0.06934439
   0.39285935  0.68667742  0.27288611
   0.09849379  0.82128309  0.06083663
   0.40851345  0.93355466  0.33725667
   0.41876911  0.88106491  0.14657977
   0.18589687  0.85973861  0.23573814
   0.32435392  0.65783237  0.44987496
   0.03863539  0.65310933  0.44318047
   0.18886302  0.52301962  0.56778826
   0.34537537  0.73487256  0.75797075
   0.16632653  0.79033329  0.56422436
   0.36871530  1.00458919  0.80889387
   0.44884759  0.89413167  0.63484832
   0.16361928  0.96739368  0.69723180
   0.27648109  0.71131580 -0.05845808
   0.02740343  0.65289704  0.91697154
   0.62323112  0.06281712  0.11709714
   0.81791495  0.21277852  0.23753659
   0.62224964  0.30803836  0.03928926
   0.92669038  0.41538761  0.35532418
   0.02295036  0.41394821  0.18632036
   0.74495843  0.45901948  0.16719578
   0.74203496  0.19249725  0.42559741
   0.47090017  0.13391016  0.46534630
   0.66584823  0.04853320  0.57021362
   0.80916234  0.20740163  0.78697399
   0.60919496  0.32491721  0.55441099
   0.90376093  0.44429414  0.85232769
   0.98250602  0.39256491  0.66192361
   0.70373843  0.43803499  0.71078730
   0.79232546  0.12721977  0.96614812
   0.54179996  0.08171479  0.93749388
   0.55034621  0.57726181  0.07559852
   0.86505102  0.68611475  0.30479124
   0.64783109  0.80421900  0.03742214
   0.81795253  0.96934167  0.34961014
   0.91380455  0.87620402  0.18634561
   0.66240253  0.83861129  0.22791008
   0.80019873  0.56049603  0.46341724
   0.56806293  0.54623298  0.37984780
   0.58790093  0.59265765  0.57502789
   0.83654171  0.70471816  0.78912171
   0.64483363  0.77300847  0.44030856
   0.91559870  0.95000941  0.84608164
   0.92850584  0.85197689  0.66384272
   0.68240204  0.94236588  0.74526691
   0.77441807  0.62257204  0.96129028
   0.53608340  0.64229207  0.89087596
   0.68378471  0.80468725  0.59248049
   0.57429858  0.84092470  0.46669441
   0.87720336  0.28006980  0.07747752
   1.01984392  0.36460231  0.36086302
   0.35170203  0.12019686  0.64408688
   0.38023343  0.69038484  0.69755108
   0.02381147  1.13764924  0.12124875
   0.19002958  1.03114333  0.00332998
   0.64225229  0.40785509  0.87853393
   0.91020407  0.44351463  0.61996796
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879657    0.561930   -0.143713
    -0.000000    9.848420    0.070897
    -0.000000    0.000000   13.909037
   Si   O    H 
    32    64    10
Direct configuration=  1482
   0.15796509  0.16866328 -0.03666595
   0.37109121  0.08305337  0.38129519
   0.14365662  0.41754435  0.10697844
   0.38156745  0.33767989  0.25005729
   0.08305199  0.13051850  0.47136755
   0.42575975  0.13599760  0.86297663
   0.13041277  0.38844286  0.61275359
   0.36820141  0.39092061  0.75084181
   0.13553951  0.69317216 -0.00786941
   0.39628343  0.57911829  0.35944294
   0.06712505  0.90501711  0.15729514
   0.34550848  0.84524097  0.25135218
   0.17383988  0.65293594  0.50165342
   0.37012090  0.65620948  0.85831229
   0.06648747  0.89869863  0.61663149
   0.32580319  0.98884519  0.69396678
   0.63975926  0.14740180  1.01507221
   0.84507305  0.14220979  0.34339932
   0.60457382  0.42741910  0.12273922
   0.87689180  0.34821262  0.17132179
   0.62220657  0.17921238  0.49839607
   0.88258781  0.11355499  0.87034172
   0.59144657  0.44228539  0.62888368
   0.76758385  0.37450233  0.80906994
   0.61863524  0.66491374 -0.01152164
   0.90832860  0.57988530  0.38710136
   0.57668114  0.89814056  0.13539856
   0.81601112  0.84160568  0.27666600
   0.64057450  0.60934098  0.47001164
   0.88693582  0.61262927  0.87652632
   0.61648047  0.92441518  0.63630903
   0.83650298  0.86439650  0.76545577
   0.08407547  0.06311555  0.14407710
   0.37323707  0.18493958  0.28673776
   0.11091731  0.32043374  0.01849196
   0.34012161  0.43771045  0.34117163
   0.52184028  0.37531014  0.21930077
   0.27642702  0.36162969  0.16099687
   0.22959853  0.06473835  0.43358457
   0.00387461  0.14707561  0.36982754
   0.01552319  0.01802677  0.53874759
   0.46986580  0.24461526  0.77929708
   0.12411498  0.27046147  0.52390493
   0.35089733  0.48573560  0.84749880
   0.43946579  0.46688646  0.66348396
   0.23403127  0.34000868  0.70296445
   0.30270767  0.20498190 -0.07139234
   0.02461994  0.17247173  0.89477608
   0.16447766  0.57324914  0.06920619
   0.39232688  0.68807189  0.27313858
   0.09815153  0.82201545  0.06160562
   0.40863952  0.93397675  0.33796044
   0.41841960  0.88074072  0.14547340
   0.18850479  0.86008145  0.23487362
   0.32383903  0.65778833  0.44928877
   0.03861772  0.65451416  0.44360354
   0.19071374  0.52123828  0.56756146
   0.34422947  0.73651700  0.75803805
   0.16609183  0.79095844  0.56283735
   0.36812991  1.00333024  0.80911964
   0.45118646  0.89406749  0.63367939
   0.16360152  0.96740060  0.69704044
   0.27648757  0.71107685 -0.05744014
   0.02686437  0.65302474  0.91788720
   0.62162224  0.06240337  0.11764790
   0.81792738  0.21121599  0.23758316
   0.62348683  0.30959534  0.03973871
   0.92752688  0.41639203  0.35570276
   0.02419324  0.41407196  0.18691938
   0.74607392  0.45845686  0.16722092
   0.74393200  0.19288820  0.42439824
   0.47096415  0.13486503  0.46524276
   0.66538829  0.04836340  0.56950025
   0.81084956  0.20679621  0.78656913
   0.61071945  0.32500126  0.55534624
   0.90338407  0.44289312  0.85324269
   0.98327191  0.39242644  0.66267504
   0.70376975  0.43925245  0.71114562
   0.79299210  0.12839972  0.96627757
   0.53846431  0.08305572  0.93722468
   0.55049078  0.57699168  0.07477252
   0.86517520  0.68476022  0.30462780
   0.64641456  0.80261397  0.03718097
   0.82023870  0.96983652  0.35071356
   0.91446731  0.87634972  0.18628304
   0.66175095  0.83965429  0.22700707
   0.80113249  0.55924608  0.46394379
   0.56618092  0.54622636  0.37877076
   0.58808329  0.59123781  0.57568072
   0.83798367  0.70448700  0.78882077
   0.64580176  0.77399614  0.43939387
   0.91328169  0.95125753  0.84625286
   0.92695105  0.85367600  0.66397391
   0.68224853  0.94411665  0.74477545
   0.77382261  0.62234025  0.96085563
   0.53573486  0.64243703  0.88931393
   0.68721767  0.79323644  0.59182553
   0.56707959  0.83713381  0.46791949
   0.87551992  0.28375183  0.07957974
   1.00708968  0.37083508  0.35849834
   0.35225828  0.12326898  0.64272469
   0.37996146  0.68382568  0.69826978
   0.02794931  1.13575681  0.12341812
   0.18209145  1.02626081  0.00030355
   0.64785951  0.40701283  0.87306207
   0.91226601  0.44073290  0.62554012
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879271    0.560735   -0.143523
    -0.000000    9.847691    0.074039
    -0.000000    0.000000   13.909545
   Si   O    H 
    32    64    10
Direct configuration=  1483
   0.15729118  0.16896354 -0.03752055
   0.37092958  0.08323404  0.38129380
   0.14288470  0.41814158  0.10712549
   0.38156524  0.33662098  0.24972505
   0.08345623  0.12997762  0.47102922
   0.42721966  0.13579006  0.86333898
   0.12917972  0.38987806  0.61294561
   0.36920461  0.39181425  0.75120492
   0.13549766  0.69194851 -0.00765731
   0.39667469  0.58032449  0.36079329
   0.06597466  0.90547467  0.15756175
   0.34576484  0.84500117  0.25034333
   0.17391873  0.65489428  0.50174145
   0.37090420  0.65629363  0.85870111
   0.06590904  0.89812592  0.61666421
   0.32367507  0.98992666  0.69521980
   0.63894833  0.14694414  1.01436837
   0.84545017  0.14149431  0.34330845
   0.60419726  0.42660279  0.12297286
   0.87552580  0.34937942  0.17108601
   0.62180807  0.18009796  0.49904308
   0.88201037  0.11370492  0.87047653
   0.59104902  0.44265350  0.62876257
   0.76725594  0.37423605  0.80996110
   0.61910990  0.66479774 -0.01114431
   0.90697865  0.57963266  0.38674859
   0.57540247  0.89766196  0.13570276
   0.81616776  0.84140220  0.27625898
   0.64001794  0.60848616  0.47000902
   0.88617727  0.61263435  0.87574742
   0.61745787  0.92425381  0.63701459
   0.83728595  0.86266408  0.76561563
   0.08531157  0.06304928  0.14520024
   0.37474868  0.18563028  0.28704522
   0.11039309  0.32013393  0.01786680
   0.33735945  0.43770114  0.34173556
   0.52268920  0.37568541  0.21985521
   0.27653651  0.36129303  0.16000071
   0.22823521  0.06354853  0.43282264
   0.00468804  0.14619741  0.36981805
   0.01487708  0.01745501  0.53828314
   0.47106284  0.24577234  0.77859637
   0.12365235  0.27170008  0.52361887
   0.35173257  0.48617768  0.84703423
   0.43879294  0.46664045  0.66455140
   0.23418012  0.34096090  0.70313055
   0.30320096  0.20345695 -0.07118777
   0.02622720  0.17272268  0.89486024
   0.16609313  0.57399299  0.06957740
   0.39240254  0.69016791  0.27343174
   0.09778666  0.82138518  0.06232718
   0.40866007  0.93499620  0.33812260
   0.41826821  0.88004399  0.14462593
   0.19029688  0.86033859  0.23316627
   0.32307204  0.65714011  0.44825937
   0.03808676  0.65588150  0.44309119
   0.19244008  0.51996905  0.56771682
   0.34343318  0.73728254  0.75779970
   0.16620390  0.79120341  0.56168359
   0.36782630  1.00262957  0.80951214
   0.45293389  0.89416821  0.63248451
   0.16334042  0.96725259  0.69691816
   0.27703102  0.71114935 -0.05632279
   0.02634495  0.65324261  0.91862669
   0.61983093  0.06143166  0.11823801
   0.81851336  0.20968442  0.23760967
   0.62515132  0.31088941  0.04017692
   0.92653788  0.41817348  0.35605644
   0.02551274  0.41412386  0.18762284
   0.74777509  0.45738093  0.16733612
   0.74519742  0.19348796  0.42321963
   0.47132241  0.13594749  0.46457857
   0.66486624  0.04943765  0.56909240
   0.81157594  0.20660030  0.78616966
   0.61254616  0.32469907  0.55592819
   0.90340579  0.44289692  0.85371241
   0.98374921  0.39244219  0.66252959
   0.70436941  0.44062412  0.71178768
   0.79341051  0.12951584  0.96650426
   0.53659016  0.08440790  0.93735693
   0.55007841  0.57734022  0.07365418
   0.86504351  0.68375567  0.30414758
   0.64406370  0.80191867  0.03776218
   0.82279584  0.97064026  0.35230293
   0.91536715  0.87586836  0.18668037
   0.66154690  0.84177955  0.22618107
   0.80127900  0.55843552  0.46487119
   0.56383380  0.54601642  0.37800267
   0.58820923  0.58957373  0.57557391
   0.83844953  0.70449086  0.78846783
   0.64642229  0.77508188  0.43891911
   0.91196772  0.95310895  0.84561291
   0.92542386  0.85525017  0.66430122
   0.68249015  0.94487986  0.74414331
   0.77364606  0.62266515  0.95993991
   0.53458883  0.64259722  0.88803426
   0.68772327  0.78949834  0.59355565
   0.56983865  0.82600592  0.46315289
   0.87277786  0.28635646  0.08193879
   1.01589697  0.36330664  0.35577049
   0.34884111  0.12555489  0.64166061
   0.37715326  0.68310896  0.70301857
   0.02207700  1.14303948  0.12028289
   0.17585326  1.02157782 -0.00196870
   0.65507928  0.40087805  0.86847054
   0.91450637  0.43651161  0.63087687
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878851    0.560111   -0.142478
    -0.000000    9.847118    0.076509
    -0.000000    0.000000   13.910244
   Si   O    H 
    32    64    10
Direct configuration=  1484
   0.15620830  0.16909603 -0.03805196
   0.37060454  0.08318262  0.38151088
   0.14252148  0.41834409  0.10693393
   0.38115297  0.33535205  0.24907967
   0.08303322  0.12945687  0.47092449
   0.42827204  0.13585367  0.86358288
   0.12792823  0.39124069  0.61379148
   0.36962083  0.39234913  0.75247558
   0.13585875  0.69109929 -0.00741203
   0.39701913  0.58189664  0.36163418
   0.06529581  0.90575007  0.15786680
   0.34631173  0.84467566  0.24949572
   0.17419670  0.65684351  0.50194874
   0.37174530  0.65609544  0.85897781
   0.06562731  0.89808351  0.61639604
   0.32154523  0.99157961  0.69648561
   0.63885522  0.14648840  1.01389881
   0.84569834  0.14063334  0.34321483
   0.60352756  0.42577767  0.12307949
   0.87416982  0.35081096  0.17156784
   0.62126641  0.18071068  0.49931412
   0.88137590  0.11454354  0.87078771
   0.59081561  0.44322844  0.62884246
   0.76640156  0.37357435  0.81115694
   0.61927099  0.66459230 -0.01073949
   0.90659815  0.57946139  0.38632867
   0.57431634  0.89706665  0.13563874
   0.81591309  0.84196486  0.27585031
   0.63918666  0.60828343  0.46990729
   0.88542606  0.61202097  0.87534601
   0.61831941  0.92408926  0.63739134
   0.83803155  0.86124984  0.76561445
   0.08609752  0.06378659  0.14619097
   0.37566886  0.18575016  0.28765492
   0.10945516  0.31949587  0.01801414
   0.33482307  0.43651880  0.34198159
   0.52405200  0.37567866  0.21971624
   0.27758943  0.36166857  0.15897529
   0.22731223  0.06300767  0.43247164
   0.00505110  0.14551474  0.37000371
   0.01409694  0.01663944  0.53809694
   0.47207963  0.24694793  0.77791880
   0.12411392  0.27204139  0.52331816
   0.35183166  0.48729529  0.84646137
   0.43802315  0.46596399  0.66587943
   0.23431679  0.34182956  0.70341786
   0.30325625  0.20181683 -0.07080819
   0.02795380  0.17295612  0.89459805
   0.16701561  0.57478196  0.07013430
   0.39262377  0.69152555  0.27410785
   0.09799630  0.82117113  0.06280835
   0.40814108  0.93624915  0.33816505
   0.41729563  0.87938113  0.14443456
   0.19075766  0.86107556  0.23249158
   0.32264404  0.65687543  0.44731161
   0.03679077  0.65677055  0.44257949
   0.19409989  0.51869326  0.56800427
   0.34232115  0.73802180  0.75717492
   0.16625715  0.79153002  0.56053741
   0.36730511  1.00205663  0.81027189
   0.45417106  0.89371252  0.63193048
   0.16330320  0.96659879  0.69735399
   0.27777424  0.71152308 -0.05584539
   0.02586739  0.65360677  0.91912805
   0.61820411  0.06019745  0.11873794
   0.81985729  0.20891945  0.23822107
   0.62649018  0.31172718  0.04035354
   0.92621161  0.42057159  0.35649700
   0.02657606  0.41407178  0.18910925
   0.74997274  0.45588456  0.16753094
   0.74541465  0.19394719  0.42256932
   0.47216997  0.13713723  0.46432113
   0.66472548  0.05035680  0.56882360
   0.81247069  0.20651016  0.78619515
   0.61467112  0.32396995  0.55662396
   0.90248049  0.44303402  0.85436369
   0.98391753  0.39188199  0.66281647
   0.70460158  0.44194566  0.71250809
   0.79325369  0.13085188  0.96675321
   0.53528628  0.08587908  0.93755275
   0.55089580  0.57710242  0.07274586
   0.86491753  0.68348184  0.30273119
   0.64132415  0.80223046  0.03840511
   0.82541435  0.97129141  0.35334430
   0.91552867  0.87455752  0.18743916
   0.66130522  0.84352863  0.22589788
   0.80063294  0.55846611  0.46575567
   0.56068933  0.54627687  0.37739400
   0.58904380  0.58873106  0.57551231
   0.83876010  0.70491041  0.78801188
   0.64755885  0.77562496  0.43870314
   0.91121365  0.95512458  0.84479414
   0.92380480  0.85735418  0.66514893
   0.68399689  0.94424885  0.74348661
   0.77420598  0.62234776  0.95881746
   0.53355024  0.64427497  0.88693981
   0.68703048  0.79147586  0.59748535
   0.56571370  0.81784691  0.45936129
   0.87130066  0.28633589  0.07891380
   1.02062780  0.35881840  0.35096157
   0.34444751  0.12784265  0.64162765
   0.37381211  0.68434008  0.70853164
   0.02402486  1.13970085  0.11936870
   0.17083386  1.02531335 -0.00378693
   0.65836960  0.39163819  0.86652499
   0.90145358  0.43956933  0.62905033
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878904    0.559726   -0.142024
    -0.000000    9.846469    0.079027
    -0.000000    0.000000   13.910588
   Si   O    H 
    32    64    10
Direct configuration=  1485
   0.15529655  0.16888512 -0.03820094
   0.36989078  0.08350048  0.38175226
   0.14229078  0.41830507  0.10708007
   0.38014420  0.33451133  0.24828984
   0.08279025  0.12990658  0.47102920
   0.42841659  0.13618069  0.86348308
   0.12677316  0.39208170  0.61470948
   0.37051314  0.39198054  0.75417272
   0.13606025  0.69040937 -0.00669094
   0.39743041  0.58282321  0.36252489
   0.06487428  0.90618680  0.15784800
   0.34656927  0.84366117  0.24855596
   0.17417965  0.65846042  0.50211158
   0.37261827  0.65624661  0.85945631
   0.06527238  0.89845652  0.61585452
   0.32022225  0.99336897  0.69745100
   0.63874584  0.14592445  1.01324524
   0.84625806  0.13971291  0.34309549
   0.60245410  0.42535722  0.12295353
   0.87327345  0.35201856  0.17220921
   0.62178651  0.18074530  0.49960096
   0.88067913  0.11547691  0.87108919
   0.59099771  0.44356895  0.62926080
   0.76642919  0.37241542  0.81166114
   0.61893908  0.66386132 -0.01045539
   0.90638400  0.57937960  0.38605577
   0.57325730  0.89617976  0.13515301
   0.81554111  0.84301984  0.27601204
   0.63903165  0.60829396  0.46972974
   0.88502183  0.61128609  0.87523361
   0.61923772  0.92400875  0.63764240
   0.83865548  0.86086199  0.76499184
   0.08659412  0.06492964  0.14662456
   0.37640101  0.18449210  0.28841961
   0.10812068  0.31864595  0.01848439
   0.33107838  0.43549189  0.34212649
   0.52544599  0.37550654  0.21921122
   0.27854034  0.36189249  0.15783049
   0.22633901  0.06300718  0.43256340
   0.00503000  0.14560824  0.37042838
   0.01336560  0.01611620  0.53772427
   0.47265630  0.24913393  0.77751559
   0.12447182  0.27154044  0.52338919
   0.35205603  0.48784471  0.84603033
   0.43711893  0.46579607  0.66683764
   0.23334143  0.34284028  0.70421165
   0.30358721  0.20108530 -0.07142213
   0.02922043  0.17281724  0.89366229
   0.16875995  0.57523655  0.07102549
   0.39223977  0.69162521  0.27482412
   0.09831679  0.81991594  0.06346341
   0.40806701  0.93767757  0.33829942
   0.41578188  0.87847625  0.14405679
   0.19002011  0.86246569  0.23214721
   0.32263344  0.65732264  0.44696972
   0.03454228  0.65708930  0.44237910
   0.19531695  0.51775037  0.56794481
   0.34115068  0.73873863  0.75718334
   0.16692321  0.79165403  0.55980353
   0.36754307  1.00236098  0.81128252
   0.45424347  0.89427970  0.63143558
   0.16291899  0.96592978  0.69710523
   0.27776823  0.71206484 -0.05561879
   0.02581238  0.65336798  0.91896812
   0.61649036  0.06002830  0.11863200
   0.82133802  0.20777024  0.23851783
   0.62817305  0.31266623  0.04039259
   0.92752956  0.42313779  0.35695209
   0.02763545  0.41362784  0.19050171
   0.75209327  0.45475894  0.16770991
   0.74566547  0.19578466  0.42234467
   0.47289741  0.13762586  0.46414456
   0.66395872  0.05105652  0.56830050
   0.81331344  0.20661328  0.78591128
   0.61625006  0.32226127  0.55675087
   0.90147307  0.44283431  0.85448823
   0.98373082  0.39278866  0.66315644
   0.70451885  0.44371998  0.71316618
   0.79248815  0.13265937  0.96750706
   0.53497713  0.08644765  0.93813846
   0.55193061  0.57606439  0.07215354
   0.86456483  0.68294475  0.30114671
   0.63895195  0.80385171  0.04000860
   0.82771204  0.97149733  0.35437728
   0.91678497  0.87346986  0.18776605
   0.66173252  0.84467477  0.22596249
   0.79960442  0.55839052  0.46718257
   0.55752781  0.54691998  0.37705107
   0.59029245  0.58812059  0.57557543
   0.83894322  0.70470998  0.78801834
   0.64897424  0.77563691  0.43769231
   0.91092513  0.95635372  0.84404862
   0.92274624  0.85855836  0.66510359
   0.68628848  0.94296814  0.74319539
   0.77481406  0.62243656  0.95794450
   0.53294343  0.64609513  0.88601708
   0.68699156  0.79608802  0.60317167
   0.55434686  0.81653842  0.45629419
   0.87651908  0.28229880  0.07428362
   1.00972213  0.36661595  0.34337181
   0.33692792  0.12572062  0.64622160
   0.37559603  0.68037534  0.70442751
   0.02828051  1.13074157  0.12120239
   0.16344136  1.03257977 -0.00431174
   0.65149342  0.38476292  0.87157448
   0.89349536  0.43997487  0.62834817
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879252    0.558630   -0.141577
    -0.000000    9.845852    0.081183
    -0.000000    0.000000   13.910717
   Si   O    H 
    32    64    10
Direct configuration=  1486
   0.15469966  0.16871236 -0.03788238
   0.36877026  0.08424770  0.38238781
   0.14183170  0.41896620  0.10748892
   0.37886912  0.33399112  0.24733591
   0.08305720  0.13028890  0.47138020
   0.42808119  0.13629866  0.86334164
   0.12622922  0.39265178  0.61534668
   0.37165539  0.39120387  0.75610771
   0.13699142  0.68991370 -0.00560860
   0.39820262  0.58318359  0.36307262
   0.06434271  0.90652751  0.15745668
   0.34695601  0.84268506  0.24772140
   0.17403256  0.65907393  0.50212459
   0.37331115  0.65561446  0.86003397
   0.06455767  0.89901757  0.61519871
   0.31923870  0.99506477  0.69847340
   0.63883251  0.14554288  1.01308933
   0.84677704  0.13864177  0.34313703
   0.60150617  0.42545155  0.12328982
   0.87310850  0.35254065  0.17272046
   0.62257768  0.18053308  0.50005770
   0.88007237  0.11630382  0.87146366
   0.59096434  0.44469416  0.62928030
   0.76722094  0.37097338  0.81236799
   0.61816525  0.66302536 -0.01046652
   0.90686382  0.57991138  0.38594418
   0.57269756  0.89584798  0.13466084
   0.81457271  0.84495221  0.27617035
   0.63968525  0.60857634  0.46937375
   0.88438789  0.61008216  0.87520366
   0.61949191  0.92448060  0.63732907
   0.83924371  0.86098090  0.76464718
   0.08789714  0.06552769  0.14779309
   0.37733962  0.18330023  0.28885842
   0.10813021  0.31724487  0.01887422
   0.32786257  0.43447051  0.34181218
   0.52657612  0.37552073  0.21785102
   0.27993391  0.36218031  0.15667082
   0.22558371  0.06346343  0.43249882
   0.00480205  0.14587672  0.37052578
   0.01319582  0.01569849  0.53777324
   0.47289757  0.25181826  0.77765837
   0.12482174  0.27156615  0.52382099
   0.35123257  0.48874264  0.84535609
   0.43626542  0.46577057  0.66772168
   0.23224077  0.34390173  0.70466779
   0.30442140  0.20093124 -0.07224242
   0.02919741  0.17300775  0.89187599
   0.17068325  0.57501954  0.07281525
   0.39163243  0.69195373  0.27488247
   0.09818959  0.81859708  0.06388842
   0.40765556  0.93811615  0.33781082
   0.41387078  0.87779285  0.14349197
   0.18879703  0.86417704  0.23200827
   0.32198619  0.65800785  0.44709283
   0.03255788  0.65745924  0.44211354
   0.19607993  0.51744996  0.56836096
   0.34038015  0.73929491  0.75700399
   0.16761591  0.79223608  0.55900597
   0.36809215  1.00223376  0.81215260
   0.45472458  0.89512147  0.63131949
   0.16186094  0.96500628  0.69682055
   0.27881009  0.71213603 -0.05591792
   0.02480377  0.65350728  0.91878878
   0.61583884  0.05934460  0.11687611
   0.82208909  0.20667354  0.23932912
   0.62922414  0.31388294  0.04010956
   0.92840983  0.42560673  0.35722362
   0.02779912  0.41297464  0.19129302
   0.75341583  0.45487127  0.16802093
   0.74535089  0.19776350  0.42210834
   0.47353754  0.13866005  0.46377517
   0.66286876  0.05148435  0.56775854
   0.81357649  0.20701079  0.78606084
   0.61747469  0.32069376  0.55718444
   0.90091627  0.44332565  0.85445432
   0.98194229  0.39471837  0.66282577
   0.70410326  0.44526730  0.71338952
   0.79202482  0.13437919  0.96852464
   0.53582678  0.08683772  0.93889516
   0.55228025  0.57360904  0.07160643
   0.86467397  0.68156986  0.30017375
   0.63696164  0.80621968  0.04243735
   0.83007809  0.97083992  0.35555689
   0.91729720  0.87264177  0.18802516
   0.66293301  0.84575851  0.22616062
   0.79921594  0.55708584  0.46850275
   0.55440641  0.54783443  0.37771768
   0.59135109  0.58726878  0.57589808
   0.83910189  0.70406806  0.78809611
   0.64978716  0.77465048  0.43722239
   0.91187815  0.95752579  0.84316514
   0.92244163  0.85921624  0.66483443
   0.68815103  0.94165485  0.74257630
   0.77504704  0.62233094  0.95728662
   0.53208327  0.64855994  0.88521092
   0.68461030  0.80210344  0.60887276
   0.55505395  0.81572200  0.45246048
   0.88224492  0.27813643  0.07460549
   1.00115804  0.37177318  0.33591649
   0.32825331  0.12049346  0.65160311
   0.37883628  0.67813720  0.70033765
   0.02215004  1.13095398  0.11898325
   0.15830169  1.03680985 -0.00261791
   0.64454232  0.37844405  0.87758149
   0.89893785  0.43566593  0.62995690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880093    0.557974   -0.141094
    -0.000000    9.845713    0.082577
    -0.000000    0.000000   13.911220
   Si   O    H 
    32    64    10
Direct configuration=  1487
   0.15359225  0.16901574 -0.03810073
   0.36866360  0.08495478  0.38295551
   0.14137392  0.42009833  0.10788684
   0.37769875  0.33377933  0.24649803
   0.08410514  0.13053124  0.47228099
   0.42777377  0.13684509  0.86310761
   0.12601728  0.39275509  0.61600685
   0.37305876  0.39033031  0.75774147
   0.13775320  0.69009705 -0.00369898
   0.39908887  0.58326905  0.36347420
   0.06400362  0.90720002  0.15744629
   0.34680559  0.84308354  0.24713576
   0.17420713  0.65935463  0.50194615
   0.37334179  0.65446346  0.86081266
   0.06325067  0.89891145  0.61450985
   0.31898400  0.99622915  0.69946524
   0.63884131  0.14594798  1.01305550
   0.84752653  0.13678040  0.34336232
   0.60123604  0.42555718  0.12333091
   0.87364176  0.35242724  0.17332094
   0.62407065  0.18082086  0.50034432
   0.87939696  0.11698435  0.87204342
   0.59079734  0.44542818  0.62914041
   0.76795387  0.36947059  0.81289832
   0.61762884  0.66222861 -0.01084715
   0.90751328  0.58081149  0.38576845
   0.57294587  0.89523999  0.13387860
   0.81397215  0.84636033  0.27632949
   0.64051807  0.60890506  0.46905921
   0.88462456  0.60815237  0.87528245
   0.61960559  0.92471468  0.63721993
   0.84040404  0.86104878  0.76424017
   0.08851568  0.06598724  0.14914720
   0.37895468  0.18198083  0.28957361
   0.10742979  0.31614319  0.01937425
   0.32423022  0.43422572  0.34182741
   0.52712844  0.37490189  0.21724483
   0.28202414  0.36253420  0.15593937
   0.22530309  0.06447030  0.43323257
   0.00410658  0.14636005  0.37046385
   0.01283873  0.01540416  0.53788837
   0.47237259  0.25451020  0.77801909
   0.12499207  0.27227652  0.52404545
   0.35088907  0.48978320  0.84480046
   0.43461563  0.46580002  0.66869276
   0.23166141  0.34443558  0.70563958
   0.30526841  0.20100443 -0.07284031
   0.02894640  0.17359149  0.88976562
   0.17252711  0.57436883  0.07498263
   0.39155367  0.69196543  0.27448919
   0.09782155  0.81730300  0.06456353
   0.40860503  0.93878131  0.33640150
   0.41191506  0.87692741  0.14316856
   0.18782341  0.86652661  0.23193014
   0.32083629  0.65856350  0.44770157
   0.03093782  0.65667201  0.44142528
   0.19632245  0.51746389  0.56828724
   0.33995510  0.73961463  0.75742505
   0.16720725  0.79343557  0.55847027
   0.36906041  1.00196621  0.81296847
   0.45467019  0.89662267  0.63174337
   0.16109395  0.96341682  0.69647752
   0.28058980  0.71267502 -0.05641191
   0.02408869  0.65364597  0.91870316
   0.61586186  0.05808744  0.11454088
   0.82323429  0.20628273  0.23936609
   0.62938866  0.31441907  0.03985019
   0.92838087  0.42739262  0.35739239
   0.02783625  0.41272681  0.19256409
   0.75343081  0.45546471  0.16835422
   0.74428560  0.19874727  0.42237617
   0.47347282  0.13967030  0.46305487
   0.66199745  0.05204546  0.56779056
   0.81303887  0.20736261  0.78605138
   0.61904727  0.32003672  0.55758415
   0.89985939  0.44316813  0.85445788
   0.97951829  0.39766127  0.66279334
   0.70444906  0.44726596  0.71399677
   0.79167608  0.13606399  0.96976611
   0.53722305  0.08702513  0.93959029
   0.55231011  0.57069607  0.07151164
   0.86456060  0.68011347  0.29929181
   0.63585462  0.80785624  0.04415730
   0.83197925  0.97041181  0.35616655
   0.91743975  0.87169331  0.18837177
   0.66392058  0.84623526  0.22635466
   0.79838074  0.55566683  0.46995212
   0.55178928  0.54809806  0.37856278
   0.59315322  0.58681075  0.57636533
   0.83888392  0.70318924  0.78762920
   0.65035361  0.77377671  0.43741443
   0.91258237  0.95825562  0.84212754
   0.92290832  0.85956554  0.66434673
   0.68989195  0.94024310  0.74273979
   0.77372904  0.62222998  0.95722250
   0.53091880  0.65090505  0.88502107
   0.68615251  0.80482873  0.61137695
   0.56401655  0.81521813  0.44739079
   0.88757988  0.27877278  0.07741434
   1.00303278  0.37261935  0.32668990
   0.31684477  0.11911625  0.65309198
   0.37654332  0.68459640  0.70104140
   0.01445976  1.12818092  0.11748852
   0.15530494  1.03664334  0.00424621
   0.63960470  0.36808188  0.88232126
   0.90927799  0.42776031  0.63261406
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880822    0.557263   -0.140266
    -0.000000    9.845887    0.083502
    -0.000000    0.000000   13.912293
   Si   O    H 
    32    64    10
Direct configuration=  1488
   0.15299814  0.16980625 -0.03797347
   0.36910425  0.08643388  0.38324602
   0.14067412  0.42135438  0.10823212
   0.37753228  0.33304903  0.24585607
   0.08495398  0.13115550  0.47321688
   0.42748435  0.13759391  0.86279139
   0.12536561  0.39266216  0.61641537
   0.37418957  0.38956536  0.75884210
   0.13849540  0.69052476 -0.00222603
   0.39926748  0.58287766  0.36404099
   0.06425844  0.90754051  0.15770599
   0.34683309  0.84334933  0.24669508
   0.17383338  0.65904197  0.50191976
   0.37322135  0.65337934  0.86122104
   0.06235691  0.89844359  0.61406137
   0.31958705  0.99713829  0.70064742
   0.63917966  0.14621707  1.01299827
   0.84696867  0.13567016  0.34357965
   0.60031237  0.42562515  0.12291174
   0.87502864  0.35195132  0.17341183
   0.62578764  0.18067901  0.50064393
   0.87931176  0.11697898  0.87302637
   0.59060592  0.44611904  0.62901697
   0.76842637  0.36832391  0.81339264
   0.61728792  0.66162856 -0.01151507
   0.90865120  0.58245028  0.38550236
   0.57296656  0.89449240  0.13297232
   0.81395843  0.84758057  0.27638823
   0.64097235  0.60888465  0.46839380
   0.88508813  0.60676706  0.87570150
   0.61983428  0.92518365  0.63678228
   0.84151910  0.86165591  0.76368410
   0.08910095  0.06640099  0.14957451
   0.37990895  0.18144895  0.29076124
   0.10717685  0.31514292  0.01988003
   0.32071637  0.43510494  0.34164527
   0.52699170  0.37410085  0.21676353
   0.28412639  0.36266313  0.15526283
   0.22540085  0.06536319  0.43399300
   0.00320145  0.14722920  0.37040004
   0.01218033  0.01476349  0.53800529
   0.47189046  0.25676695  0.77855189
   0.12473867  0.27312836  0.52448399
   0.34962623  0.49193014  0.84467397
   0.43304666  0.46604845  0.66957542
   0.23060754  0.34512865  0.70645579
   0.30709765  0.20144574 -0.07347537
   0.02864004  0.17466462  0.88714469
   0.17396273  0.57288348  0.07730277
   0.39236481  0.69132346  0.27363882
   0.09804486  0.81611471  0.06489155
   0.40944526  0.93880886  0.33471324
   0.41085398  0.87617825  0.14280548
   0.18662354  0.86764886  0.23223265
   0.31989552  0.65980309  0.44899807
   0.03010016  0.65558469  0.44055963
   0.19651005  0.51830937  0.56801251
   0.34045232  0.74028117  0.75845759
   0.16645487  0.79461201  0.55777107
   0.36952439  1.00213754  0.81327605
   0.45458648  0.89892725  0.63237381
   0.15986625  0.96170144  0.69594150
   0.28212118  0.71266478 -0.05642949
   0.02373587  0.65369430  0.91828594
   0.61549597  0.05653104  0.11258832
   0.82487856  0.20614728  0.23881182
   0.62883247  0.31413366  0.03898451
   0.92831672  0.42779010  0.35731476
   0.02691468  0.41299171  0.19315729
   0.75359185  0.45663755  0.16924388
   0.74300345  0.19943512  0.42294584
   0.47266766  0.14059976  0.46175573
   0.66084413  0.05274496  0.56871476
   0.81253401  0.20757559  0.78550695
   0.62039707  0.31984512  0.55802089
   0.89801612  0.44307327  0.85468242
   0.97871989  0.39949416  0.66410129
   0.70491205  0.44954456  0.71429856
   0.79101223  0.13800188  0.97032419
   0.53866059  0.08741678  0.93992227
   0.55296192  0.56715798  0.07167756
   0.86333754  0.67927540  0.29837437
   0.63534053  0.80918508  0.04599870
   0.83386838  0.97005366  0.35623526
   0.91746045  0.87098564  0.18896215
   0.66458885  0.84744996  0.22702843
   0.79802280  0.55454103  0.47097483
   0.54987080  0.54805303  0.38021076
   0.59508896  0.58662581  0.57644631
   0.83890506  0.70185566  0.78662875
   0.65022431  0.77329933  0.43817577
   0.91318029  0.95867630  0.84133251
   0.92355897  0.85964299  0.66348509
   0.69222591  0.93902391  0.74320636
   0.77173693  0.62282230  0.95746653
   0.53006990  0.65297444  0.88522902
   0.69055754  0.79983501  0.60983572
   0.56276665  0.81916618  0.44438760
   0.89421322  0.27984078  0.08325554
   1.00220645  0.37705925  0.31802393
   0.31150471  0.12267472  0.64942794
   0.37175821  0.69322335  0.70299131
   0.01026921  1.11853527  0.11928026
   0.15437463  1.03583951  0.01109072
   0.64035009  0.35989767  0.88438277
   0.89145632  0.43379710  0.62318578
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881995    0.556430   -0.139819
    -0.000000    9.846331    0.084828
    -0.000000    0.000000   13.913308
   Si   O    H 
    32    64    10
Direct configuration=  1489
   0.15241479  0.17108412 -0.03780107
   0.36981125  0.08772746  0.38344762
   0.14016144  0.42217803  0.10874036
   0.37759138  0.33210235  0.24549210
   0.08642656  0.13159141  0.47423988
   0.42743048  0.13807881  0.86234651
   0.12481383  0.39162744  0.61704279
   0.37465110  0.38942822  0.75936172
   0.13914971  0.69027577 -0.00076807
   0.39837888  0.58274479  0.36422001
   0.06450125  0.90750050  0.15776193
   0.34728923  0.84321339  0.24643255
   0.17318973  0.65840117  0.50179301
   0.37270893  0.65178264  0.86164392
   0.06174142  0.89823951  0.61385756
   0.31983596  0.99796505  0.70178737
   0.63988739  0.14630120  1.01347132
   0.84658269  0.13483414  0.34380906
   0.59968692  0.42486437  0.12232846
   0.87639292  0.35104824  0.17308873
   0.62704460  0.18044890  0.50101563
   0.88012485  0.11656303  0.87442570
   0.59063259  0.44610854  0.62891459
   0.76917029  0.36706407  0.81367862
   0.61690215  0.66051253 -0.01207636
   0.91041059  0.58408990  0.38519546
   0.57221108  0.89403272  0.13214508
   0.81423092  0.84802818  0.27639317
   0.64174022  0.60959599  0.46735321
   0.88530917  0.60513446  0.87642535
   0.61942357  0.92517248  0.63618766
   0.84297434  0.86261668  0.76324990
   0.08955888  0.06740740  0.14970148
   0.38103186  0.18135388  0.29140041
   0.10725632  0.31467522  0.02042619
   0.31864555  0.43522517  0.34079524
   0.52666442  0.37337035  0.21653185
   0.28567934  0.36183616  0.15441121
   0.22580514  0.06620184  0.43477690
   0.00266066  0.14811519  0.37060760
   0.01088741  0.01489619  0.53735184
   0.47136140  0.25867556  0.77969247
   0.12448059  0.27454516  0.52488712
   0.34811598  0.49402798  0.84511922
   0.43266559  0.46675996  0.67047111
   0.22985870  0.34559643  0.70740181
   0.30887628  0.20231102 -0.07391064
   0.02757468  0.17666697  0.88504216
   0.17504845  0.57182191  0.07940332
   0.39374214  0.68932794  0.27343465
   0.09811422  0.81552920  0.06548444
   0.41064789  0.93832624  0.33341625
   0.40999309  0.87533194  0.14218280
   0.18448500  0.86836160  0.23224521
   0.32020778  0.66111030  0.45020165
   0.02886981  0.65432178  0.43917001
   0.19698892  0.51925540  0.56755155
   0.34057324  0.74149094  0.76033170
   0.16519389  0.79594602  0.55724028
   0.36982254  1.00242165  0.81312183
   0.45359442  0.90113757  0.63332145
   0.15819438  0.96001443  0.69500550
   0.28278352  0.71293392 -0.05670504
   0.02427430  0.65352681  0.91755704
   0.61527747  0.05507281  0.11052463
   0.82718653  0.20609821  0.23846114
   0.62785908  0.31302012  0.03851317
   0.92901102  0.42660414  0.35656466
   0.02642896  0.41297185  0.19336120
   0.75367206  0.45795953  0.17049598
   0.74209777  0.20068332  0.42291770
   0.47220164  0.14180759  0.46039230
   0.66014883  0.05395370  0.56974378
   0.81146090  0.20757346  0.78523478
   0.62201359  0.31995467  0.55881082
   0.89601571  0.44248837  0.85433027
   0.97668637  0.40208282  0.66514209
   0.70541415  0.45233805  0.71497540
   0.79105770  0.13881287  0.97087580
   0.53912809  0.08775061  0.94053143
   0.55294234  0.56385038  0.07148497
   0.86091056  0.67991527  0.29794482
   0.63509396  0.80967117  0.04724032
   0.83569721  0.96868843  0.35625022
   0.91763831  0.87016756  0.19001032
   0.66588752  0.84890903  0.22751613
   0.79806839  0.55320163  0.47186590
   0.54902923  0.54744461  0.38175383
   0.59755027  0.58723405  0.57622491
   0.83866602  0.70034853  0.78578828
   0.65002508  0.77202870  0.43908647
   0.91341542  0.95893814  0.84072255
   0.92364924  0.86049657  0.66264510
   0.69421373  0.93809007  0.74299444
   0.76940318  0.62250832  0.95797389
   0.52842251  0.65550228  0.88573959
   0.69487384  0.79243286  0.60615977
   0.55866028  0.82584720  0.44020428
   0.89861378  0.28144506  0.08755172
   0.99771144  0.38800344  0.31340144
   0.30790371  0.12778811  0.64546719
   0.37033767  0.69486634  0.70262525
   0.01198528  1.10830347  0.12499869
   0.15857141  1.03487437  0.01689118
   0.64705872  0.35499576  0.88344124
   0.88482821  0.43374035  0.61785954
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883737    0.555615   -0.139295
    -0.000000    9.846858    0.086468
    -0.000000    0.000000   13.914100
   Si   O    H 
    32    64    10
Direct configuration=  1490
   0.15204134  0.17242713 -0.03726173
   0.37076585  0.08860162  0.38350317
   0.13972039  0.42264848  0.10925882
   0.37766621  0.33049839  0.24543088
   0.08759654  0.13191879  0.47535765
   0.42714121  0.13808556  0.86214224
   0.12523064  0.39062649  0.61768574
   0.37436105  0.38911132  0.75965134
   0.13993359  0.69034186  0.00066752
   0.39790358  0.58256046  0.36423366
   0.06455434  0.90695375  0.15765529
   0.34732031  0.84381136  0.24664404
   0.17201411  0.65759305  0.50142534
   0.37251840  0.65042952  0.86142487
   0.06072205  0.89782348  0.61309737
   0.31955163  0.99816972  0.70316668
   0.64038608  0.14596414  1.01412155
   0.84644142  0.13453585  0.34414179
   0.59986526  0.42350539  0.12184682
   0.87717978  0.34991065  0.17342685
   0.62764360  0.18034109  0.50116893
   0.88106767  0.11608357  0.87503062
   0.59063604  0.44617367  0.62876602
   0.76944285  0.36567685  0.81327149
   0.61700580  0.65952411 -0.01258056
   0.91152705  0.58562586  0.38534857
   0.57179546  0.89433308  0.13159927
   0.81399767  0.84823479  0.27662489
   0.64261995  0.61078772  0.46656517
   0.88520894  0.60385126  0.87686862
   0.61921667  0.92483567  0.63537197
   0.84436743  0.86360577  0.76295600
   0.09087231  0.06865542  0.15032918
   0.38144107  0.18130707  0.29187272
   0.10767912  0.31365319  0.02091991
   0.31705905  0.43523995  0.33956602
   0.52615027  0.37288327  0.21625112
   0.28629773  0.36190424  0.15348836
   0.22650300  0.06686594  0.43538732
   0.00232825  0.14996326  0.37079393
   0.01000377  0.01636098  0.53676282
   0.47073258  0.25961414  0.78117045
   0.12394634  0.27537640  0.52507111
   0.34710834  0.49488106  0.84546061
   0.43338511  0.46805128  0.67052749
   0.22923859  0.34692243  0.70812277
   0.31004750  0.20285990 -0.07393178
   0.02712867  0.17811189  0.88352042
   0.17577387  0.57128620  0.08135380
   0.39591018  0.68680942  0.27277929
   0.09714051  0.81457239  0.06538221
   0.41007602  0.93752799  0.33216823
   0.40965034  0.87470572  0.14166319
   0.18330655  0.86912995  0.23264660
   0.31946884  0.66269468  0.45124364
   0.02804912  0.65225713  0.43844223
   0.19683183  0.52021319  0.56724614
   0.34029024  0.74249506  0.76214804
   0.16457103  0.79754444  0.55705196
   0.36982865  1.00326243  0.81307409
   0.45269006  0.90338447  0.63425424
   0.15721100  0.95879574  0.69424140
   0.28316558  0.71373001 -0.05648827
   0.02568774  0.65302948  0.91731099
   0.61531347  0.05350664  0.10813209
   0.83028815  0.20602397  0.23802474
   0.62693158  0.31201424  0.03832184
   0.92993005  0.42615312  0.35565167
   0.02585863  0.41415393  0.19400788
   0.75332340  0.45952076  0.17135267
   0.74166216  0.20207129  0.42244040
   0.47211890  0.14301384  0.45980385
   0.66011073  0.05439880  0.57110476
   0.81125785  0.20717687  0.78488083
   0.62372643  0.32067528  0.55989397
   0.89460318  0.44154590  0.85349180
   0.97395610  0.40469072  0.66555971
   0.70557825  0.45457866  0.71569479
   0.79079928  0.13983846  0.97086987
   0.53953955  0.08765561  0.94063519
   0.55283648  0.56118055  0.07097680
   0.85800447  0.68126025  0.29722987
   0.63456763  0.81097026  0.04718428
   0.83702339  0.96722635  0.35568702
   0.91713819  0.87055080  0.19037079
   0.66664984  0.85072394  0.22752495
   0.79858879  0.55217219  0.47219902
   0.54848258  0.54763308  0.38329040
   0.59924756  0.58827300  0.57614245
   0.83881392  0.69952035  0.78521034
   0.64939713  0.77113127  0.44015915
   0.91333836  0.95911716  0.84053365
   0.92375619  0.86092434  0.66157740
   0.69627007  0.93800414  0.74262716
   0.76767204  0.62134854  0.95875683
   0.52730286  0.65759131  0.88647527
   0.69509469  0.78863332  0.60121946
   0.56284407  0.82708113  0.43548776
   0.90468679  0.27970463  0.08826390
   0.99341650  0.39589384  0.30860516
   0.30377584  0.13305141  0.64178883
   0.36945734  0.69655899  0.70061248
   0.00060752  1.11105123  0.12773641
   0.16567535  1.04063410  0.01537645
   0.65956916  0.35601518  0.87910323
   0.89009294  0.42801820  0.61869894
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885580    0.554995   -0.139363
    -0.000000    9.847506    0.088209
    -0.000000    0.000000   13.915459
   Si   O    H 
    32    64    10
Direct configuration=  1491
   0.15089460  0.17380520 -0.03678690
   0.37097386  0.08928545  0.38331984
   0.13863127  0.42212723  0.11026201
   0.37745065  0.32924875  0.24527893
   0.08855713  0.13269051  0.47600058
   0.42704598  0.13786536  0.86194578
   0.12529731  0.38970877  0.61833702
   0.37334346  0.38886311  0.75956704
   0.14114775  0.69003453  0.00145004
   0.39687644  0.58232050  0.36397651
   0.06390632  0.90675779  0.15770015
   0.34690647  0.84344359  0.24648423
   0.17118882  0.65679248  0.50091592
   0.37220965  0.64961404  0.86117999
   0.06031273  0.89744449  0.61214728
   0.31939317  0.99796735  0.70426993
   0.64098010  0.14582482  1.01455094
   0.84637814  0.13412135  0.34427945
   0.60006265  0.42202430  0.12130940
   0.87773910  0.34870156  0.17359867
   0.62844477  0.17961451  0.50083893
   0.88231691  0.11539197  0.87581855
   0.59079391  0.44591433  0.62931763
   0.76976640  0.36483004  0.81304195
   0.61711530  0.65923100 -0.01305705
   0.91209358  0.58666989  0.38570848
   0.57174168  0.89508414  0.13124142
   0.81383227  0.84847353  0.27720619
   0.64310030  0.61213194  0.46586488
   0.88497851  0.60311354  0.87724040
   0.61849321  0.92469950  0.63437420
   0.84491054  0.86435891  0.76262042
   0.09245631  0.06983780  0.15042722
   0.38194008  0.18184514  0.29165854
   0.10842776  0.31373654  0.02160187
   0.31665012  0.43577990  0.33812369
   0.52522136  0.37282102  0.21594310
   0.28652783  0.36166406  0.15299239
   0.22734123  0.06720538  0.43586993
   0.00269169  0.15275440  0.37171835
   0.00892835  0.01838182  0.53542787
   0.47133262  0.25986053  0.78235205
   0.12304651  0.27576319  0.52529397
   0.34621239  0.49498287  0.84607267
   0.43542605  0.46874392  0.67039353
   0.22797197  0.34850673  0.70905852
   0.31018370  0.20447970 -0.07371371
   0.02825663  0.17906972  0.88168826
   0.17694566  0.57103144  0.08326563
   0.39725286  0.68487331  0.27179870
   0.09596687  0.81363172  0.06470695
   0.40950954  0.93687067  0.33097480
   0.40947012  0.87444529  0.14126327
   0.18249544  0.86939524  0.23277590
   0.31852756  0.66329214  0.45212157
   0.02788491  0.65020455  0.43757469
   0.19696140  0.52067319  0.56683134
   0.33981194  0.74353394  0.76360258
   0.16426632  0.79850380  0.55640246
   0.36947225  1.00407200  0.81261963
   0.45191884  0.90603578  0.63578599
   0.15621149  0.95805113  0.69369465
   0.28228270  0.71456493 -0.05511953
   0.02784080  0.65137550  0.91706034
   0.61597563  0.05246471  0.10581229
   0.83246111  0.20670469  0.23738401
   0.62564868  0.31156364  0.03794213
   0.93050407  0.42636386  0.35512433
   0.02481793  0.41484490  0.19439890
   0.75201403  0.46135065  0.17159871
   0.74112950  0.20359623  0.42215566
   0.47289532  0.14425692  0.46004234
   0.66023219  0.05431745  0.57277412
   0.81116424  0.20631504  0.78454505
   0.62527935  0.32271839  0.56046077
   0.89354804  0.44167656  0.85363417
   0.97053623  0.40730176  0.66501844
   0.70567546  0.45662424  0.71675229
   0.79129661  0.14056451  0.97108330
   0.53977939  0.08809842  0.94026579
   0.55163845  0.55914890  0.07055412
   0.85485522  0.68323737  0.29692051
   0.63397070  0.81149372  0.04694492
   0.83810844  0.96545174  0.35516043
   0.91710726  0.87114971  0.18945982
   0.66604053  0.85301334  0.22771977
   0.79961022  0.55134738  0.47230390
   0.54907773  0.54778172  0.38471118
   0.60072866  0.58901178  0.57615184
   0.83840966  0.69962116  0.78501000
   0.64836993  0.77019680  0.44135127
   0.91410064  0.95962927  0.84030813
   0.92340558  0.86180131  0.66048016
   0.69787348  0.93780766  0.74154420
   0.76622807  0.62020221  0.95927682
   0.52782025  0.65998660  0.88769767
   0.69066720  0.79143433  0.59817083
   0.57015498  0.82364378  0.43066871
   0.91171824  0.27697012  0.08751086
   0.99791625  0.40578788  0.30448808
   0.30379905  0.13049110  0.64035401
   0.36984689  0.70299604  0.70438610
  -0.00415486  1.11427468  0.12899439
   0.17058250  1.05130237  0.01049816
   0.66824585  0.35985919  0.87875811
   0.90425102  0.42229173  0.62680346
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887489    0.553693   -0.139257
    -0.000000    9.848514    0.089769
    -0.000000    0.000000   13.916456
   Si   O    H 
    32    64    10
Direct configuration=  1492
   0.15041415  0.17559171 -0.03655667
   0.37049326  0.08938070  0.38264884
   0.13841602  0.42130609  0.11099051
   0.37654800  0.32759838  0.24585703
   0.08987474  0.13383284  0.47636494
   0.42698058  0.13805971  0.86129124
   0.12545162  0.38913959  0.61860436
   0.37169960  0.38912171  0.75965028
   0.14224881  0.68956706  0.00159302
   0.39575421  0.58174525  0.36377599
   0.06304989  0.90672546  0.15771703
   0.34620979  0.84300535  0.24655649
   0.17039573  0.65600360  0.50071235
   0.37118927  0.64893547  0.86090914
   0.05986095  0.89736504  0.61152352
   0.31909097  0.99721750  0.70512681
   0.64152301  0.14644831  1.01533547
   0.84659368  0.13368492  0.34436469
   0.60062016  0.42056195  0.12091431
   0.87795633  0.34720622  0.17394795
   0.62865007  0.17944586  0.50056257
   0.88358678  0.11459962  0.87633879
   0.59051673  0.44599544  0.63007098
   0.77021566  0.36403328  0.81240897
   0.61757226  0.65899544 -0.01330861
   0.91245518  0.58669825  0.38593635
   0.57207511  0.89599490  0.13111690
   0.81395520  0.84863735  0.27754973
   0.64465935  0.61348906  0.46539619
   0.88459190  0.60206103  0.87766938
   0.61784217  0.92386170  0.63367611
   0.84551327  0.86488954  0.76225053
   0.09257828  0.07176453  0.15029929
   0.38194827  0.18212958  0.29097439
   0.10861063  0.31414490  0.02233984
   0.31626796  0.43660314  0.33674880
   0.52420045  0.37198409  0.21506777
   0.28668346  0.36199249  0.15256406
   0.22857724  0.06735830  0.43566447
   0.00308686  0.15550421  0.37267258
   0.00784221  0.02106349  0.53427865
   0.47116451  0.25966317  0.78359456
   0.12259143  0.27623513  0.52549449
   0.34489830  0.49432641  0.84631654
   0.43741846  0.46871163  0.67046205
   0.22567523  0.34966794  0.71051010
   0.30939294  0.20661760 -0.07373739
   0.02952052  0.17927655  0.87985125
   0.17890051  0.57153155  0.08460494
   0.39833324  0.68319919  0.27108011
   0.09412184  0.81397498  0.06374972
   0.40978974  0.93622929  0.32974232
   0.41025625  0.87443826  0.14091736
   0.18162514  0.86902892  0.23303653
   0.31789688  0.66386330  0.45291438
   0.02888784  0.64933611  0.43707729
   0.19710245  0.52119113  0.56608070
   0.33905471  0.74448233  0.76537040
   0.16401416  0.79910369  0.55588925
   0.36890421  1.00489152  0.81217551
   0.45118395  0.90832795  0.63757546
   0.15537794  0.95739866  0.69357833
   0.28073558  0.71543685 -0.05353269
   0.02948524  0.64984421  0.91700076
   0.61653180  0.05149751  0.10383053
   0.83413873  0.20771708  0.23682362
   0.62342630  0.31093867  0.03704372
   0.93120389  0.42789421  0.35489134
   0.02479260  0.41582329  0.19486911
   0.75127080  0.46284060  0.17184018
   0.73998568  0.20383162  0.42210212
   0.47338419  0.14517824  0.46056057
   0.66080335  0.05408316  0.57373819
   0.81047371  0.20541616  0.78379157
   0.62760195  0.32414150  0.56109761
   0.89336811  0.44225918  0.85381694
   0.96957177  0.40942080  0.66560889
   0.70509344  0.45890427  0.71767484
   0.79267148  0.14163972  0.97148380
   0.53971824  0.08775391  0.93949636
   0.55124942  0.55760303  0.07006872
   0.85146263  0.68525519  0.29703112
   0.63377128  0.81108240  0.04605196
   0.83865681  0.96426546  0.35490293
   0.91703916  0.87177140  0.18906098
   0.66558604  0.85423735  0.22719338
   0.80058268  0.55093714  0.47205999
   0.54996949  0.54811484  0.38602131
   0.60203420  0.59038050  0.57641141
   0.83790390  0.69996054  0.78499676
   0.64759509  0.76917956  0.44222547
   0.91541959  0.96076290  0.83999726
   0.92375253  0.86131776  0.65940257
   0.69847624  0.93776784  0.74040553
   0.76519298  0.61914884  0.95948380
   0.52900186  0.66210302  0.88873542
   0.68375006  0.80067241  0.59492106
   0.56500969  0.83109714  0.42641619
   0.91572060  0.26902158  0.08427858
   1.00264585  0.41426471  0.30199765
   0.30595989  0.12093365  0.64293537
   0.37117450  0.70598264  0.70563946
   0.00165689  1.11494827  0.13151481
   0.17337675  1.05350841  0.00898177
   0.67198605  0.36075004  0.88315185
   0.89076157  0.42010490  0.62123414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888804    0.552837   -0.140168
    -0.000000    9.849490    0.091615
    -0.000000    0.000000   13.917749
   Si   O    H 
    32    64    10
Direct configuration=  1493
   0.15026396  0.17736614 -0.03641175
   0.37050911  0.08958746  0.38214228
   0.13859598  0.42038769  0.11183328
   0.37490135  0.32578967  0.24593504
   0.09129365  0.13530666  0.47611366
   0.42675254  0.13824824  0.86020879
   0.12514643  0.38850609  0.61901498
   0.36977901  0.38921709  0.75975013
   0.14314484  0.68901878  0.00171588
   0.39437980  0.58075177  0.36348358
   0.06272029  0.90754641  0.15769711
   0.34544975  0.84331027  0.24675102
   0.16909053  0.65489393  0.50035215
   0.37040530  0.64875620  0.86066691
   0.05968370  0.89762951  0.61100675
   0.31890273  0.99616591  0.70571915
   0.64208653  0.14708092  1.01619705
   0.84714440  0.13336568  0.34466815
   0.60151760  0.41906711  0.12076745
   0.87805304  0.34578539  0.17458972
   0.62819943  0.17966291  0.50019388
   0.88481791  0.11378485  0.87700574
   0.59094380  0.44635288  0.63117499
   0.77030777  0.36350409  0.81125300
   0.61793525  0.65919749 -0.01325042
   0.91209401  0.58652899  0.38592418
   0.57258406  0.89697179  0.13061096
   0.81404503  0.84874398  0.27743653
   0.64645751  0.61494562  0.46516181
   0.88353583  0.60130636  0.87823713
   0.61740888  0.92307260  0.63286021
   0.84618468  0.86556605  0.76168686
   0.09198146  0.07350941  0.15031876
   0.38199571  0.18314625  0.29003135
   0.10925328  0.31403693  0.02312652
   0.31616108  0.43770442  0.33540659
   0.52328453  0.37169797  0.21499811
   0.28707876  0.36251567  0.15178010
   0.22947810  0.06812695  0.43520494
   0.00358699  0.15785018  0.37366340
   0.00662199  0.02339223  0.53364864
   0.47138835  0.25917637  0.78474836
   0.12260044  0.27662560  0.52571890
   0.34420079  0.49305660  0.84699888
   0.43885543  0.46796103  0.67044465
   0.22421986  0.35122530  0.71160971
   0.30939703  0.20865821 -0.07370591
   0.03100409  0.17908862  0.87795218
   0.18018195  0.57208310  0.08546850
   0.39952620  0.68053759  0.26996829
   0.09271225  0.81542903  0.06289433
   0.41004067  0.93553881  0.32972016
   0.41158782  0.87485986  0.14071678
   0.18059727  0.86822755  0.23316298
   0.31756812  0.66432710  0.45316001
   0.03133289  0.64994181  0.43682451
   0.19632698  0.52270883  0.56550893
   0.33778613  0.74642496  0.76736469
   0.16301368  0.79927362  0.55564048
   0.36796351  1.00638117  0.81164949
   0.44963520  0.91058340  0.63926675
   0.15474760  0.95665404  0.69379091
   0.27987320  0.71602445 -0.05204221
   0.03142859  0.64785646  0.91738577
   0.61755696  0.05037291  0.10224655
   0.83580814  0.20838140  0.23700979
   0.62201194  0.31095187  0.03676580
   0.93160768  0.42910425  0.35429661
   0.02563311  0.41616220  0.19545084
   0.75031981  0.46337025  0.17174216
   0.73883554  0.20348963  0.42185728
   0.47472428  0.14553103  0.46151217
   0.66177902  0.05448437  0.57462040
   0.80909999  0.20402381  0.78344209
   0.63009507  0.32605782  0.56143609
   0.89408502  0.44275979  0.85441933
   0.96959849  0.41133820  0.66626820
   0.70467546  0.46108791  0.71809315
   0.79460249  0.14249441  0.97178063
   0.53930194  0.08740623  0.93846430
   0.55090581  0.55708349  0.06979596
   0.84840744  0.68791029  0.29754240
   0.63351037  0.81029206  0.04441393
   0.83916180  0.96347504  0.35508791
   0.91738795  0.87236611  0.18902838
   0.66490569  0.85565408  0.22691419
   0.80147146  0.55090893  0.47140424
   0.55060941  0.54803953  0.38719193
   0.60337413  0.59158225  0.57633914
   0.83774670  0.70089536  0.78574561
   0.64625740  0.76980377  0.44262491
   0.91685305  0.96212055  0.84024066
   0.92430933  0.86081782  0.65780555
   0.69768467  0.93815225  0.73978708
   0.76612024  0.61780543  0.95958535
   0.52895731  0.66329124  0.88959591
   0.67437359  0.81120836  0.59286568
   0.56588654  0.83231453  0.42142175
   0.91597365  0.26285960  0.08131113
   1.00109580  0.42532605  0.30237817
   0.31035435  0.11253083  0.64796831
   0.37191766  0.70581790  0.70509931
   0.01082241  1.11579304  0.13468832
   0.17914027  1.04873665  0.00892052
   0.66778555  0.36193031  0.88849574
   0.87754505  0.42029132  0.61774486
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890359    0.551532   -0.140884
    -0.000000    9.850596    0.094339
    -0.000000    0.000000   13.918458
   Si   O    H 
    32    64    10
Direct configuration=  1494
   0.14997922  0.17916808 -0.03651534
   0.37069178  0.08889363  0.38141522
   0.13941626  0.41957911  0.11258149
   0.37339461  0.32443506  0.24613115
   0.09240233  0.13654220  0.47573291
   0.42670601  0.13806592  0.85978401
   0.12442856  0.38777071  0.61948605
   0.36770760  0.38883632  0.75963468
   0.14328574  0.68793558  0.00204110
   0.39296043  0.58000839  0.36283738
   0.06233493  0.90843876  0.15772546
   0.34487939  0.84368880  0.24688955
   0.16731764  0.65370122  0.50025722
   0.37022653  0.64901451  0.86072939
   0.05984949  0.89850048  0.61035112
   0.31865668  0.99522247  0.70541185
   0.64272425  0.14778145  1.01651788
   0.84820885  0.13326916  0.34477080
   0.60253138  0.41790904  0.12048034
   0.87825341  0.34410623  0.17507205
   0.62782167  0.18042509  0.49996329
   0.88576484  0.11380020  0.87748503
   0.59174072  0.44752433  0.63188963
   0.76953420  0.36277208  0.81008606
   0.61862605  0.65929112 -0.01303247
   0.91157914  0.58559713  0.38592440
   0.57281346  0.89814033  0.13005044
   0.81459048  0.84825218  0.27689188
   0.64820300  0.61582736  0.46491155
   0.88274866  0.60088349  0.87849143
   0.61682812  0.92243851  0.63257989
   0.84642348  0.86591676  0.76078467
   0.09226178  0.07378561  0.15064533
   0.38150506  0.18392507  0.28914503
   0.10956133  0.31424244  0.02456434
   0.31625915  0.43868099  0.33423849
   0.52243621  0.37158701  0.21493811
   0.28736965  0.36195435  0.15077719
   0.23033302  0.06934686  0.43542465
   0.00433072  0.16089929  0.37475840
   0.00499582  0.02459010  0.53322761
   0.47178634  0.25862912  0.78608401
   0.12242398  0.27676477  0.52589649
   0.34319119  0.49093972  0.84767049
   0.43992799  0.46661450  0.67006360
   0.22285772  0.35348744  0.71290460
   0.31026969  0.20965595 -0.07322225
   0.03213472  0.17801710  0.87620382
   0.18038815  0.57269034  0.08648551
   0.40050524  0.67746304  0.26835863
   0.09063293  0.81668850  0.06147158
   0.40997216  0.93543322  0.32976108
   0.41299442  0.87552425  0.14034504
   0.18101002  0.86659202  0.23354120
   0.31728827  0.66452766  0.45301410
   0.03414703  0.65133498  0.43662097
   0.19525108  0.52322040  0.56515168
   0.33678742  0.74772004  0.76923701
   0.16257423  0.79934798  0.55545866
   0.36697905  1.00706755  0.81153293
   0.44865702  0.91255046  0.64119347
   0.15481541  0.95533012  0.69430018
   0.27885321  0.71674493 -0.05068190
   0.03327419  0.64540311  0.91818413
   0.61891717  0.04874450  0.10126004
   0.83685629  0.20904313  0.23694218
   0.62009756  0.31089362  0.03651449
   0.93181489  0.43002548  0.35403519
   0.02645998  0.41757514  0.19619955
   0.74943734  0.46250706  0.17192764
   0.73853628  0.20270604  0.42129401
   0.47602949  0.14570419  0.46181155
   0.66199066  0.05556838  0.57527085
   0.80882924  0.20279143  0.78398046
   0.63321760  0.32674643  0.56126568
   0.89487636  0.44327311  0.85491078
   0.96910231  0.41360827  0.66594185
   0.70405185  0.46202032  0.71886824
   0.79621893  0.14240511  0.97209683
   0.53856296  0.08684886  0.93692106
   0.55064786  0.55711931  0.06920930
   0.84529201  0.68981094  0.29843462
   0.63227881  0.80835513  0.04246034
   0.84009625  0.96280290  0.35480099
   0.91672615  0.87325160  0.18881698
   0.66477498  0.85757366  0.22708707
   0.80294596  0.55075309  0.46970372
   0.55215134  0.54711555  0.38801542
   0.60488194  0.59318041  0.57627166
   0.83781483  0.70168644  0.78722527
   0.64446219  0.77151928  0.44246274
   0.91731565  0.96234496  0.84082062
   0.92447006  0.85964434  0.65657054
   0.69633566  0.93896261  0.73911620
   0.76738409  0.61625966  0.95921036
   0.52896659  0.66388233  0.89062176
   0.66844177  0.81148225  0.58696500
   0.57223735  0.82826358  0.41932930
   0.91217896  0.26021035  0.08302032
   0.99984021  0.43207840  0.30589814
   0.31409569  0.10868037  0.65091615
   0.37215339  0.70748384  0.70985681
   0.00724481  1.12764501  0.13678802
   0.18294126  1.04428511  0.01053517
   0.66157890  0.36160626  0.89251828
   0.87914883  0.42066104  0.62224286
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892001    0.550216   -0.141252
    -0.000000    9.851627    0.097017
    -0.000000    0.000000   13.919669
   Si   O    H 
    32    64    10
Direct configuration=  1495
   0.15009812  0.18034197 -0.03694827
   0.37064847  0.08783076  0.38074159
   0.14032258  0.41859036  0.11271909
   0.37249253  0.32438193  0.24626533
   0.09362202  0.13741414  0.47549626
   0.42666115  0.13813589  0.85962458
   0.12344821  0.38693750  0.61983550
   0.36570740  0.38798278  0.75935903
   0.14257997  0.68697731  0.00211646
   0.39191433  0.57902016  0.36168415
   0.06190933  0.90941352  0.15704138
   0.34485063  0.84378082  0.24711521
   0.16611067  0.65340502  0.49986518
   0.36989077  0.64925426  0.86086285
   0.06054834  0.89981993  0.60940596
   0.31813242  0.99307264  0.70503723
   0.64358358  0.14814221  1.01652292
   0.84913387  0.13304814  0.34495474
   0.60356754  0.41773170  0.12052125
   0.87857279  0.34273813  0.17482845
   0.62782900  0.18147226  0.49942905
   0.88600129  0.11429272  0.87776114
   0.59207087  0.44866780  0.63238847
   0.76899557  0.36242521  0.80896991
   0.61951392  0.65937524 -0.01257545
   0.91067661  0.58504084  0.38587211
   0.57271646  0.89949362  0.12985757
   0.81499223  0.84788010  0.27651167
   0.65044853  0.61680566  0.46497300
   0.88221421  0.60080315  0.87878483
   0.61569988  0.92274491  0.63246520
   0.84716863  0.86636553  0.76013216
   0.09276215  0.07446774  0.15106552
   0.38011996  0.18378214  0.28837277
   0.10983632  0.31467482  0.02570933
   0.31607815  0.43986790  0.33241143
   0.52181104  0.37172432  0.21496059
   0.28762844  0.36195420  0.15030554
   0.23216163  0.07047069  0.43646512
   0.00432733  0.16354482  0.37580449
   0.00382861  0.02484536  0.53382704
   0.47150313  0.25844136  0.78689848
   0.12182485  0.27738281  0.52612907
   0.34176307  0.48862604  0.84839921
   0.44021159  0.46549842  0.66990490
   0.22169167  0.35492113  0.71404083
   0.31015358  0.21068383 -0.07229775
   0.03362194  0.17722876  0.87519608
   0.18013277  0.57283745  0.08701492
   0.40180154  0.67557377  0.26624958
   0.08824718  0.81853943  0.06032349
   0.40969546  0.93572124  0.33037424
   0.41348328  0.87612185  0.14024795
   0.18057495  0.86534035  0.23415029
   0.31744008  0.66428126  0.45246993
   0.03664607  0.65276726  0.43620181
   0.19437318  0.52323086  0.56576395
   0.33546913  0.74882346  0.77055528
   0.16215145  0.79901658  0.55567018
   0.36562144  1.00777615  0.81180136
   0.44859278  0.91413298  0.64342742
   0.15567308  0.95466308  0.69505757
   0.27834590  0.71731277 -0.04967856
   0.03482271  0.64329109  0.91868507
   0.62005296  0.04752311  0.10103484
   0.83805163  0.20957666  0.23739003
   0.61807650  0.31020329  0.03655090
   0.93198401  0.43025406  0.35372768
   0.02714297  0.41900932  0.19684588
   0.74907606  0.46109680  0.17145887
   0.73922580  0.20219390  0.42030130
   0.47674526  0.14406698  0.46172070
   0.66233742  0.05753045  0.57535575
   0.80825081  0.20235408  0.78431476
   0.63565464  0.32624568  0.56128065
   0.89551397  0.44298475  0.85499845
   0.96927796  0.41568341  0.66479746
   0.70369370  0.46232943  0.71988727
   0.79737400  0.14192230  0.97263579
   0.53884354  0.08523387  0.93656279
   0.55041586  0.55771200  0.06792043
   0.84280751  0.69043255  0.29978021
   0.63068878  0.80611907  0.04050444
   0.84178310  0.96375880  0.35445962
   0.91675904  0.87414221  0.18813684
   0.66481495  0.85994412  0.22778764
   0.80427481  0.55075441  0.46848973
   0.55320763  0.54623595  0.38911513
   0.60632380  0.59450394  0.57571162
   0.83793669  0.70300792  0.78874116
   0.64207743  0.77313397  0.44146743
   0.91736102  0.96198286  0.84133232
   0.92438880  0.85907299  0.65535734
   0.69480802  0.93958822  0.73834524
   0.76846048  0.61498943  0.95986824
   0.52897559  0.66455479  0.89118762
   0.66612706  0.80328919  0.57926346
   0.57074963  0.82981957  0.41503999
   0.90615975  0.26154970  0.08651215
   1.00222797  0.43369142  0.30638284
   0.31490615  0.11644355  0.64934051
   0.37167035  0.71058299  0.71376559
   0.00831932  1.13980461  0.13814803
   0.18703376  1.04337848  0.00781418
   0.65926568  0.35913015  0.88964223
   0.89181749  0.42026883  0.62887396
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893603    0.548043   -0.141659
    -0.000000    9.852582    0.099788
    -0.000000    0.000000   13.921065
   Si   O    H 
    32    64    10
Direct configuration=  1496
   0.15038746  0.18147142 -0.03753268
   0.37094034  0.08727719  0.38038567
   0.14134153  0.41784012  0.11290044
   0.37196548  0.32504638  0.24612683
   0.09392016  0.13850945  0.47499176
   0.42652833  0.13843462  0.85950803
   0.12216753  0.38608155  0.61977039
   0.36408328  0.38736899  0.75973984
   0.14222846  0.68616853  0.00209826
   0.39145784  0.57864640  0.36061681
   0.06172238  0.91084824  0.15644752
   0.34501289  0.84405635  0.24690510
   0.16570273  0.65373482  0.49950604
   0.36945754  0.64948204  0.86131860
   0.06122448  0.90130737  0.60845858
   0.31742050  0.99064085  0.70430945
   0.64476536  0.14860306  1.01636007
   0.84995982  0.13303022  0.34540248
   0.60385687  0.41784736  0.12073808
   0.87924080  0.34155514  0.17439528
   0.62743102  0.18251703  0.49978511
   0.88650145  0.11503553  0.87781391
   0.59257591  0.45029930  0.63269127
   0.76805082  0.36241563  0.80783711
   0.62011791  0.65898577 -0.01207059
   0.90959974  0.58420169  0.38627445
   0.57282582  0.90082084  0.12924026
   0.81525796  0.84735182  0.27616089
   0.65197634  0.61784894  0.46560922
   0.88211847  0.60165258  0.87920981
   0.61412170  0.92314281  0.63227770
   0.84784093  0.86652759  0.75971127
   0.09296682  0.07458634  0.15126524
   0.37848472  0.18307433  0.28741117
   0.10998498  0.31510024  0.02664141
   0.31647629  0.44023488  0.33097287
   0.52144227  0.37217579  0.21492465
   0.28754158  0.36112132  0.14901270
   0.23374995  0.07180822  0.43715937
   0.00406650  0.16580523  0.37701756
   0.00292719  0.02454418  0.53451757
   0.47100269  0.25922257  0.78709224
   0.12101924  0.27803817  0.52642340
   0.33987193  0.48640496  0.84914879
   0.44031116  0.46528127  0.67052734
   0.22022099  0.35614308  0.71517721
   0.30911249  0.21121001 -0.07183581
   0.03530106  0.17629842  0.87411660
   0.18009473  0.57254628  0.08766846
   0.40271703  0.67451749  0.26432913
   0.08651042  0.81996303  0.05962607
   0.40980324  0.93632694  0.33202463
   0.41337001  0.87666474  0.14019727
   0.17990551  0.86424811  0.23537340
   0.31810805  0.66449886  0.45142960
   0.03874459  0.65333339  0.43608806
   0.19226137  0.52228221  0.56674430
   0.33393281  0.74985955  0.77128780
   0.16192596  0.79855383  0.55609163
   0.36411167  1.00805915  0.81207386
   0.44885892  0.91524976  0.64546516
   0.15683404  0.95420975  0.69578090
   0.27859801  0.71712314 -0.04882248
   0.03610813  0.64147193  0.91936511
   0.62130160  0.04561015  0.10057715
   0.83940665  0.21052205  0.23780329
   0.61597637  0.30954923  0.03658576
   0.93331859  0.43076475  0.35332795
   0.02754378  0.41917703  0.19757867
   0.74866863  0.45956599  0.17121998
   0.73953046  0.20174209  0.41949171
   0.47700116  0.14226005  0.46114092
   0.66216299  0.05978543  0.57559980
   0.80833660  0.20192237  0.78476267
   0.63660860  0.32609263  0.56141498
   0.89673753  0.44207017  0.85492672
   0.97124701  0.41859780  0.66330601
   0.70299017  0.46198174  0.72102485
   0.79808114  0.14183772  0.97332230
   0.53880943  0.08429252  0.93647281
   0.55023066  0.55814275  0.06648985
   0.84022437  0.69069281  0.30181695
   0.62896469  0.80519444  0.03821580
   0.84322049  0.96461879  0.35413460
   0.91658638  0.87413845  0.18749833
   0.66519293  0.86207927  0.22801131
   0.80572581  0.55095868  0.46689065
   0.55311199  0.54581016  0.39001694
   0.60766016  0.59631424  0.57481490
   0.83858307  0.70470754  0.78999630
   0.64065013  0.77486905  0.44072569
   0.91745419  0.96119312  0.84147831
   0.92415802  0.85817118  0.65411929
   0.69347075  0.94015065  0.73752292
   0.76947771  0.61377198  0.96045602
   0.52868753  0.66582863  0.89224233
   0.66262958  0.79622257  0.57384541
   0.56454578  0.83045767  0.40694271
   0.89806524  0.26270978  0.09025527
   1.00944293  0.43717352  0.30345342
   0.31804349  0.12580738  0.64929099
   0.37408028  0.70769504  0.71201706
   0.01730930  1.14535198  0.14153231
   0.19118342  1.04390022  0.00522998
   0.66421938  0.35977963  0.88478459
   0.89114536  0.42251434  0.62675152
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895346    0.546076   -0.141968
    -0.000000    9.853290    0.102071
    -0.000000    0.000000   13.922644
   Si   O    H 
    32    64    10
Direct configuration=  1497
   0.15091274  0.18228351 -0.03822731
   0.37113744  0.08659103  0.38021355
   0.14276483  0.41754307  0.11309728
   0.37196027  0.32606967  0.24576505
   0.09418195  0.13866363  0.47460831
   0.42547096  0.13925426  0.85962814
   0.12084754  0.38526543  0.61923124
   0.36239080  0.38637568  0.75979361
   0.14145353  0.68556178  0.00201016
   0.39070054  0.57892789  0.35970713
   0.06197211  0.91191223  0.15596885
   0.34488181  0.84365970  0.24664242
   0.16595113  0.65420829  0.49944135
   0.36922627  0.64952857  0.86185404
   0.06150728  0.90246011  0.60784567
   0.31631028  0.98827799  0.70335117
   0.64566445  0.14875087  1.01567420
   0.85106674  0.13337792  0.34602805
   0.60391873  0.41819994  0.12071493
   0.87960439  0.34074500  0.17396768
   0.62631813  0.18352376  0.50007636
   0.88702998  0.11541893  0.87786361
   0.59322078  0.45193572  0.63301188
   0.76722263  0.36213498  0.80656489
   0.62095303  0.65922640 -0.01194817
   0.90797674  0.58363920  0.38634376
   0.57295670  0.90115370  0.12853371
   0.81555692  0.84757328  0.27540136
   0.65325056  0.61829570  0.46610463
   0.88256926  0.60264027  0.88001609
   0.61286114  0.92347713  0.63190470
   0.84880164  0.86687155  0.75933100
   0.09260679  0.07524705  0.15165301
   0.37659520  0.18191802  0.28704349
   0.10971508  0.31568945  0.02754544
   0.31722911  0.44044005  0.32977069
   0.52116427  0.37238165  0.21486492
   0.28741789  0.35980365  0.14790219
   0.23534901  0.07257100  0.43783732
   0.00296844  0.16763377  0.37804326
   0.00220182  0.02517464  0.53521328
   0.47007352  0.25969194  0.78651787
   0.12005073  0.27951302  0.52676195
   0.33848880  0.48530576  0.84935254
   0.43964826  0.46488432  0.67152424
   0.21868633  0.35653755  0.71577995
   0.30922888  0.21158111 -0.07156303
   0.03732573  0.17588081  0.87343040
   0.18015463  0.57190042  0.08852499
   0.40302202  0.67331037  0.26197353
   0.08485323  0.82150928  0.05914949
   0.40938085  0.93778002  0.33336836
   0.41373255  0.87658950  0.14005753
   0.17959119  0.86315781  0.23623412
   0.31842371  0.66467984  0.45016905
   0.03941786  0.65382475  0.43573562
   0.19038258  0.52095675  0.56811521
   0.33281529  0.75069589  0.77182309
   0.16218087  0.79709938  0.55628206
   0.36267702  1.00857630  0.81218295
   0.44905300  0.91610910  0.64872246
   0.15778471  0.95398937  0.69616805
   0.27959693  0.71702260 -0.04824452
   0.03695374  0.63963656  0.91964989
   0.62239701  0.04397814  0.10070721
   0.83994203  0.21093966  0.23800625
   0.61464434  0.30865763  0.03633083
   0.93489320  0.43156940  0.35307984
   0.02813485  0.41887024  0.19839033
   0.74804407  0.45723436  0.17127147
   0.73936796  0.20101045  0.41844728
   0.47763025  0.14015188  0.45998005
   0.66229621  0.06079924  0.57578956
   0.80910227  0.20167720  0.78539479
   0.63645145  0.32605359  0.56139203
   0.89735618  0.44189902  0.85464856
   0.97392354  0.42118674  0.66224226
   0.70183591  0.46147776  0.72156839
   0.79924131  0.14119304  0.97424391
   0.53860309  0.08498660  0.93607645
   0.54953529  0.55834445  0.06525430
   0.83774073  0.68983277  0.30396177
   0.62677720  0.80407051  0.03632660
   0.84461455  0.96587155  0.35355388
   0.91586924  0.87362664  0.18660461
   0.66465596  0.86358017  0.22796414
   0.80608881  0.55041309  0.46613737
   0.55245027  0.54490025  0.39092750
   0.60877930  0.59807165  0.57390174
   0.84025674  0.70631844  0.79104332
   0.63998982  0.77761368  0.43955100
   0.91780503  0.95915012  0.84188812
   0.92423730  0.85738780  0.65361495
   0.69270591  0.93970991  0.73658426
   0.77058974  0.61303186  0.96055891
   0.52827184  0.66704563  0.89319625
   0.65809408  0.79607738  0.57320053
   0.56383810  0.82454742  0.40127914
   0.88935945  0.26145918  0.09033301
   1.01234787  0.43614823  0.30570400
   0.32118828  0.13216490  0.65045075
   0.37244239  0.70849234  0.71258449
   0.03038629  1.14734982  0.14528052
   0.19225193  1.04789662  0.00185571
   0.66901031  0.36410631  0.88127705
   0.88483525  0.42321004  0.62151496
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897175    0.544304   -0.142552
    -0.000000    9.853735    0.104452
    -0.000000    0.000000   13.924842
   Si   O    H 
    32    64    10
Direct configuration=  1498
   0.15162748  0.18326301 -0.03916773
   0.37134607  0.08607507  0.37988606
   0.14451003  0.41756567  0.11351623
   0.37163603  0.32737624  0.24558211
   0.09399497  0.13851389  0.47384862
   0.42436137  0.13974518  0.85982405
   0.11953075  0.38495266  0.61873236
   0.36080925  0.38526612  0.75986916
   0.14064060  0.68475589  0.00178179
   0.38974927  0.57854015  0.35885713
   0.06230344  0.91264770  0.15561062
   0.34478309  0.84350296  0.24634520
   0.16656718  0.65419838  0.50002041
   0.36858453  0.64912759  0.86258481
   0.06213315  0.90403050  0.60672716
   0.31536854  0.98648537  0.70242083
   0.64642020  0.14876096  1.01448279
   0.85136581  0.13363373  0.34620862
   0.60373252  0.41911482  0.12084031
   0.88003018  0.34082084  0.17403296
   0.62547651  0.18447277  0.50043195
   0.88732845  0.11588765  0.87770319
   0.59384867  0.45361996  0.63318720
   0.76650251  0.36249467  0.80538400
   0.62166013  0.65998274 -0.01118249
   0.90671838  0.58345926  0.38637908
   0.57320576  0.90080856  0.12796820
   0.81552696  0.84859713  0.27418953
   0.65437136  0.61859982  0.46640922
   0.88382702  0.60362641  0.88093295
   0.61129823  0.92390901  0.63157408
   0.84866598  0.86759284  0.75888473
   0.09303880  0.07460181  0.15222405
   0.37529228  0.18059275  0.28684672
   0.11010870  0.31617746  0.02898185
   0.31764314  0.44111157  0.32854103
   0.52090328  0.37235986  0.21540922
   0.28712213  0.35915096  0.14750802
   0.23638516  0.07319560  0.43868224
   0.00186764  0.16927948  0.37890103
   0.00228778  0.02652884  0.53544786
   0.46842311  0.26007627  0.78587129
   0.11937885  0.28106658  0.52660563
   0.33678566  0.48367950  0.84920115
   0.43906314  0.46390311  0.67265713
   0.21694658  0.35741780  0.71651902
   0.30880633  0.21248259 -0.07115462
   0.03956768  0.17538285  0.87301696
   0.17960888  0.57086164  0.08920088
   0.40319784  0.67305024  0.25962992
   0.08247503  0.82275450  0.05846645
   0.40968663  0.93880840  0.33424094
   0.41315341  0.87640758  0.14030871
   0.17957422  0.86175067  0.23734942
   0.31802867  0.66506854  0.44858689
   0.03926181  0.65393827  0.43420151
   0.18814251  0.51861587  0.56924617
   0.33242364  0.75137526  0.77296926
   0.16122283  0.79590552  0.55660607
   0.36095714  1.00956031  0.81121453
   0.44817046  0.91652247  0.65132538
   0.15876698  0.95294816  0.69592031
   0.28079863  0.71650715 -0.04821342
   0.03707827  0.63800104  0.91975161
   0.62364497  0.04420895  0.10161895
   0.84084514  0.21150195  0.23881098
   0.61325939  0.30711525  0.03621690
   0.93609957  0.43240685  0.35294089
   0.02820367  0.41818425  0.19921856
   0.74805697  0.45436498  0.17139124
   0.73838177  0.19994699  0.41734462
   0.47788930  0.13818761  0.45848175
   0.66255286  0.06160438  0.57575330
   0.81000827  0.20198473  0.78582955
   0.63616358  0.32640947  0.56197321
   0.89783557  0.44164214  0.85446704
   0.97645425  0.42367844  0.66088441
   0.70077721  0.46058750  0.72193952
   0.80041543  0.14134847  0.97503131
   0.53954424  0.08601710  0.93559704
   0.54912271  0.55928394  0.06386125
   0.83605361  0.68858074  0.30619643
   0.62450818  0.80403006  0.03437629
   0.84538770  0.96741035  0.35276713
   0.91504470  0.87329353  0.18616430
   0.66398786  0.86501437  0.22804461
   0.80538969  0.54893834  0.46633047
   0.55165467  0.54307931  0.39150370
   0.60916072  0.59939180  0.57350143
   0.84188184  0.70817992  0.79199966
   0.63884675  0.78002143  0.43832744
   0.91786540  0.95731462  0.84221477
   0.92391137  0.85632935  0.65353459
   0.69238576  0.93827600  0.73548959
   0.77236946  0.61126653  0.96142568
   0.52779870  0.66850778  0.89320603
   0.65126081  0.80118523  0.57617763
   0.56890787  0.81773795  0.40112342
   0.88522795  0.26077173  0.08859224
   1.00773929  0.43174612  0.31096972
   0.32015888  0.13474920  0.65403984
   0.36977221  0.71180186  0.71498680
   0.03242442  1.15663111  0.14959866
   0.18823062  1.05211793 -0.00190223
   0.67066803  0.36739815  0.88035413
   0.88876031  0.42448183  0.61899834
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899117    0.541906   -0.143084
    -0.000000    9.853733    0.106480
    -0.000000    0.000000   13.927080
   Si   O    H 
    32    64    10
Direct configuration=  1499
   0.15265340  0.18394179 -0.04002060
   0.37154734  0.08507828  0.37984510
   0.14632576  0.41739880  0.11405064
   0.37136614  0.32947222  0.24510976
   0.09389353  0.13834151  0.47323519
   0.42306540  0.14017184  0.86019881
   0.11904612  0.38456144  0.61826174
   0.35969756  0.38404970  0.75984508
   0.14017428  0.68410288  0.00186053
   0.38926938  0.57851309  0.35753732
   0.06264450  0.91285115  0.15549254
   0.34453883  0.84356821  0.24605878
   0.16724410  0.65359020  0.50118589
   0.36795454  0.64849285  0.86318632
   0.06224165  0.90524685  0.60553105
   0.31519999  0.98528887  0.70184290
   0.64745254  0.14935654  1.01283773
   0.85134787  0.13397002  0.34635054
   0.60367731  0.42000192  0.12148216
   0.88050460  0.34036611  0.17439864
   0.62483978  0.18545733  0.50058658
   0.88760212  0.11726812  0.87783803
   0.59372712  0.45503781  0.63328652
   0.76678547  0.36287104  0.80434119
   0.62251386  0.66084898 -0.01081238
   0.90568845  0.58338540  0.38632087
   0.57353433  0.90070446  0.12750882
   0.81528425  0.84931763  0.27320582
   0.65528276  0.61859913  0.46642229
   0.88542958  0.60434531  0.88181803
   0.61036624  0.92505364  0.63158942
   0.84787629  0.86773775  0.75882709
   0.09270778  0.07420579  0.15215062
   0.37462256  0.17867360  0.28700343
   0.11016599  0.31721680  0.02986164
   0.31849698  0.44115786  0.32739090
   0.52099888  0.37236442  0.21615720
   0.28743882  0.35711750  0.14753248
   0.23735522  0.07406601  0.43939008
   0.00170177  0.17063260  0.37975314
   0.00326194  0.02800336  0.53548019
   0.46782801  0.25961223  0.78543576
   0.11875379  0.28240497  0.52651144
   0.33548343  0.48312869  0.84838816
   0.43906620  0.46257779  0.67305195
   0.21566919  0.35837175  0.71657507
   0.30845083  0.21338914 -0.07098253
   0.04184901  0.17488234  0.87288215
   0.17900657  0.57033559  0.08884584
   0.40250583  0.67348927  0.25788863
   0.08118478  0.82332526  0.05752949
   0.41026307  0.93863970  0.33485977
   0.41311484  0.87617489  0.14076959
   0.17956175  0.85956667  0.23836152
   0.31726382  0.66526058  0.44688774
   0.03854411  0.65440688  0.43279830
   0.18604500  0.51727310  0.56982505
   0.33196795  0.75195218  0.77392866
   0.16068873  0.79427720  0.55641170
   0.35967312  1.01026294  0.80965798
   0.44847283  0.91656563  0.65308451
   0.15984543  0.95201983  0.69590423
   0.28215373  0.71630340 -0.04821608
   0.03682783  0.63675554  0.91977132
   0.62474525  0.04477649  0.10269543
   0.84145070  0.21201733  0.23959540
   0.61160673  0.30539847  0.03640265
   0.93680916  0.43330054  0.35287521
   0.02764814  0.41687651  0.19964234
   0.74822759  0.45100085  0.17155753
   0.73723429  0.19888179  0.41656761
   0.47876390  0.13540654  0.45702612
   0.66231449  0.06243160  0.57559798
   0.81065303  0.20248579  0.78675134
   0.63640319  0.32590270  0.56160508
   0.89809214  0.44207577  0.85387091
   0.97827069  0.42594551  0.65953269
   0.70040284  0.45919328  0.72223948
   0.80217850  0.14102632  0.97530048
   0.54152711  0.08648771  0.93519760
   0.54918265  0.55996105  0.06320856
   0.83489512  0.68727314  0.30800061
   0.62195364  0.80490935  0.03274314
   0.84593715  0.96892106  0.35242258
   0.91363351  0.87414310  0.18580835
   0.66384193  0.86577982  0.22738594
   0.80412336  0.54763122  0.46679022
   0.55085779  0.54103581  0.39220271
   0.60886469  0.59990313  0.57374224
   0.84309585  0.70948471  0.79307469
   0.63839508  0.78263447  0.43774924
   0.91696420  0.95549304  0.84242573
   0.92270971  0.85602824  0.65350311
   0.69250959  0.93658291  0.73452792
   0.77351247  0.60956366  0.96211068
   0.52779213  0.67035132  0.89281304
   0.64461135  0.80666874  0.58240651
   0.56700336  0.81379666  0.39834089
   0.88403104  0.25840201  0.08368626
   1.01304879  0.42696428  0.31116018
   0.32000639  0.13115776  0.65834056
   0.36627490  0.71651874  0.71602383
   0.03692952  1.16171027  0.15171472
   0.18450743  1.05024771 -0.00271637
   0.66860090  0.36434665  0.88068330
   0.89930400  0.42593475  0.61965864
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901370    0.539336   -0.143767
    -0.000000    9.853767    0.107627
    -0.000000    0.000000   13.929070
   Si   O    H 
    32    64    10
Direct configuration=  1500
   0.15384566  0.18497562 -0.04050569
   0.37157761  0.08365841  0.37981193
   0.14808030  0.41789181  0.11461793
   0.37157433  0.33164471  0.24486456
   0.09409845  0.13827762  0.47252091
   0.42131821  0.13984196  0.86087755
   0.11889292  0.38447451  0.61802425
   0.35905950  0.38300840  0.75933740
   0.13976165  0.68368208  0.00174445
   0.38952810  0.57820725  0.35642117
   0.06325099  0.91370051  0.15537004
   0.34473760  0.84366543  0.24510478
   0.16762198  0.65289727  0.50240339
   0.36755259  0.64805283  0.86400156
   0.06222342  0.90656279  0.60482782
   0.31513479  0.98485028  0.70112624
   0.64830247  0.14967878  1.01162516
   0.85121212  0.13397184  0.34646546
   0.60359473  0.42091643  0.12201778
   0.88112337  0.34017964  0.17485611
   0.62402756  0.18642923  0.50075163
   0.88765728  0.11845493  0.87798883
   0.59359846  0.45680227  0.63311992
   0.76660292  0.36302780  0.80374082
   0.62374665  0.66134406 -0.01036635
   0.90414815  0.58418401  0.38596476
   0.57467993  0.90033224  0.12738057
   0.81478430  0.84969366  0.27293769
   0.65544920  0.61851001  0.46614692
   0.88684329  0.60505602  0.88275548
   0.60903034  0.92607306  0.63147662
   0.84721342  0.86782862  0.75834353
   0.09225804  0.07409332  0.15199080
   0.37364912  0.17740940  0.28691032
   0.11028443  0.31787441  0.02990060
   0.31937222  0.44074816  0.32554606
   0.52086471  0.37234746  0.21646099
   0.28725432  0.35636152  0.14782038
   0.23816349  0.07418490  0.44022058
   0.00192785  0.17237997  0.38045417
   0.00434853  0.02924382  0.53535361
   0.46710653  0.25814816  0.78549571
   0.11764110  0.28385179  0.52623535
   0.33407096  0.48327828  0.84769655
   0.43831533  0.46139486  0.67385039
   0.21410046  0.35924714  0.71595501
   0.30846339  0.21423931 -0.07119391
   0.04297519  0.17404961  0.87328654
   0.17823142  0.57021806  0.08825825
   0.40200508  0.67450810  0.25675317
   0.07970792  0.82414604  0.05651089
   0.41014649  0.93818188  0.33528220
   0.41334317  0.87550699  0.14124823
   0.18032479  0.85758038  0.23876761
   0.31649762  0.66532354  0.44532548
   0.03786747  0.65432989  0.43091785
   0.18441168  0.51640867  0.57064004
   0.33122299  0.75291695  0.77475532
   0.15968185  0.79266477  0.55619834
   0.35800555  1.01105983  0.80877291
   0.44868374  0.91625435  0.65448605
   0.16038071  0.95086056  0.69588279
   0.28273895  0.71620624 -0.04815163
   0.03684896  0.63605896  0.92011104
   0.62531289  0.04516030  0.10417999
   0.84177588  0.21301249  0.24058367
   0.61051692  0.30391413  0.03701699
   0.93714483  0.43424205  0.35269687
   0.02677894  0.41523568  0.19994147
   0.74893919  0.44844912  0.17202642
   0.73648096  0.19697501  0.41625442
   0.47913708  0.13344357  0.45589936
   0.66202978  0.06256087  0.57535267
   0.81150509  0.20385389  0.78753812
   0.63605069  0.32515483  0.56124048
   0.89831407  0.44190698  0.85354709
   0.97965176  0.42828883  0.65885327
   0.69944350  0.45885263  0.72147792
   0.80384046  0.14014999  0.97502693
   0.54280741  0.08777387  0.93531616
   0.54959104  0.55912225  0.06285133
   0.83478991  0.68632503  0.30953375
   0.62022369  0.80640130  0.03168524
   0.84635894  0.97002772  0.35207823
   0.91253447  0.87508367  0.18509060
   0.66331742  0.86632302  0.22662217
   0.80308447  0.54667857  0.46693516
   0.54969183  0.53921657  0.39268654
   0.60770147  0.60022371  0.57407756
   0.84441833  0.71014680  0.79478536
   0.63923913  0.78476879  0.43764526
   0.91647953  0.95414056  0.84250695
   0.92106625  0.85555537  0.65349084
   0.69244601  0.93468282  0.73372531
   0.77474272  0.60750326  0.96285489
   0.52839269  0.67162643  0.89211065
   0.64099620  0.80882379  0.58674448
   0.55779474  0.81220238  0.39190663
   0.88412500  0.25987957  0.07872635
   1.01982869  0.41962026  0.31303163
   0.31913853  0.12711274  0.66083209
   0.36176397  0.71528016  0.71380702
   0.04168457  1.16216034  0.15149982
   0.18186166  1.04239634 -0.00354318
   0.66443549  0.35672478  0.87952781
   0.90438831  0.42811218  0.61571848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903225    0.537330   -0.144413
    -0.000000    9.853504    0.109128
    -0.000000    0.000000   13.931251
   Si   O    H 
    32    64    10
Direct configuration=  1501
   0.15543886  0.18526610 -0.04085159
   0.37215882  0.08250407  0.37992307
   0.14874144  0.41833454  0.11503042
   0.37162677  0.33383863  0.24507080
   0.09468376  0.13771259  0.47199097
   0.41961524  0.13983732  0.86179945
   0.11886500  0.38455916  0.61757222
   0.35964928  0.38202079  0.75895175
   0.13938449  0.68356814  0.00174927
   0.39016831  0.57785476  0.35548162
   0.06423953  0.91437861  0.15542316
   0.34500151  0.84352742  0.24416712
   0.16800169  0.65150954  0.50392514
   0.36691939  0.64825821  0.86472320
   0.06181411  0.90786723  0.60417777
   0.31529719  0.98520339  0.70020534
   0.64845347  0.15034740  1.01041730
   0.85091872  0.13408431  0.34658388
   0.60367833  0.42243766  0.12299618
   0.88123860  0.33943002  0.17479190
   0.62360756  0.18718711  0.50047251
   0.88774446  0.11946859  0.87790334
   0.59296268  0.45778286  0.63262369
   0.76653366  0.36341144  0.80327686
   0.62509258  0.66127434 -0.01041855
   0.90350166  0.58541264  0.38593283
   0.57590135  0.89992093  0.12720519
   0.81452510  0.85045015  0.27291745
   0.65500913  0.61839476  0.46557608
   0.88837581  0.60524404  0.88369722
   0.60794731  0.92670840  0.63157245
   0.84656425  0.86783651  0.75836234
   0.09207107  0.07383172  0.15141130
   0.37228306  0.17635402  0.28739266
   0.10895507  0.31885520  0.02995110
   0.32052659  0.43971719  0.32409591
   0.52046235  0.37266533  0.21684660
   0.28735824  0.35496110  0.14839209
   0.23833330  0.07553051  0.44108273
   0.00181955  0.17370555  0.38070520
   0.00517511  0.03068961  0.53511848
   0.46689059  0.25638216  0.78554847
   0.11712597  0.28490949  0.52555325
   0.33186444  0.48346232  0.84704239
   0.43899285  0.46092000  0.67410796
   0.21262135  0.36024811  0.71548610
   0.30874459  0.21476167 -0.07169563
   0.04395877  0.17326042  0.87365768
   0.17716481  0.57049513  0.08708821
   0.40187910  0.67578287  0.25668402
   0.07855422  0.82579680  0.05547564
   0.40983945  0.93632849  0.33580312
   0.41306627  0.87505536  0.14204959
   0.18007154  0.85539500  0.23871845
   0.31548444  0.66517255  0.44436480
   0.03702900  0.65397200  0.42955843
   0.18279751  0.51565802  0.57149248
   0.33098787  0.75346176  0.77551150
   0.15957738  0.79126381  0.55643793
   0.35669444  1.01087826  0.80860884
   0.44923713  0.91564024  0.65565996
   0.15972004  0.94997139  0.69583712
   0.28385797  0.71546282 -0.04788275
   0.03713627  0.63508363  0.92064533
   0.62587390  0.04643518  0.10538978
   0.84289539  0.21366473  0.24215862
   0.60879972  0.30304182  0.03781233
   0.93843574  0.43472046  0.35258449
   0.02568721  0.41366844  0.19975653
   0.75012868  0.44630004  0.17295415
   0.73539443  0.19519113  0.41638217
   0.47958344  0.13210594  0.45463737
   0.66121348  0.06214472  0.57511590
   0.81248261  0.20532376  0.78835101
   0.63566909  0.32467549  0.56077015
   0.89823537  0.44115333  0.85304401
   0.98092762  0.42990739  0.65877491
   0.69860569  0.45888602  0.72065286
   0.80580990  0.13931276  0.97471719
   0.54390734  0.08888910  0.93485967
   0.54944444  0.55799249  0.06310458
   0.83446924  0.68514128  0.31084728
   0.61945352  0.80848796  0.03078296
   0.84638169  0.97015569  0.35179002
   0.91158954  0.87583668  0.18466790
   0.66238004  0.86620288  0.22593908
   0.80223341  0.54631990  0.46722181
   0.54829311  0.53771333  0.39338760
   0.60645600  0.60001671  0.57458848
   0.84530542  0.71131860  0.79614752
   0.63959143  0.78721822  0.43670731
   0.91534613  0.95313740  0.84278648
   0.92045487  0.85451631  0.65316638
   0.69209181  0.93238503  0.73318199
   0.77540362  0.60544494  0.96439156
   0.52985454  0.67188500  0.89138874
   0.64061548  0.80279858  0.58662895
   0.55561492  0.81234550  0.38952758
   0.88610567  0.26464816  0.07712654
   1.02195025  0.41220748  0.31513868
   0.31604327  0.12311864  0.66173931
   0.35432483  0.71600086  0.71112220
   0.04498906  1.15873842  0.15172283
   0.17621363  1.04148873 -0.00263842
   0.65982475  0.35041243  0.87647493
   0.90588517  0.43010896  0.61133880
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905429    0.535236   -0.145008
    -0.000000    9.853110    0.110601
    -0.000000    0.000000   13.933031
   Si   O    H 
    32    64    10
Direct configuration=  1502
   0.15673495  0.18594033 -0.04120027
   0.37318157  0.08114707  0.38002952
   0.14957921  0.41897987  0.11527577
   0.37202165  0.33502404  0.24539010
   0.09470027  0.13737728  0.47159188
   0.41841460  0.13913216  0.86233113
   0.11920186  0.38442205  0.61712498
   0.36086618  0.38128696  0.75816973
   0.13890526  0.68302679  0.00214153
   0.39114790  0.57733574  0.35470912
   0.06601037  0.91482001  0.15536124
   0.34498953  0.84298509  0.24345005
   0.16857451  0.64974011  0.50474339
   0.36630994  0.64774808  0.86513836
   0.06136248  0.90827544  0.60348914
   0.31572179  0.98602930  0.69943757
   0.64884534  0.15046194  1.00910826
   0.85023027  0.13415379  0.34665358
   0.60343073  0.42424055  0.12414711
   0.88076031  0.33888300  0.17473777
   0.62302458  0.18766289  0.50009782
   0.88855065  0.11975676  0.87751792
   0.59255882  0.45865467  0.63212253
   0.76604984  0.36387539  0.80292602
   0.62617054  0.66160381 -0.01091008
   0.90349303  0.58669573  0.38601343
   0.57611800  0.89927138  0.12696011
   0.81446193  0.85035389  0.27320854
   0.65422380  0.61927096  0.46524671
   0.88976494  0.60470226  0.88427567
   0.60659125  0.92719302  0.63168095
   0.84503737  0.86772012  0.75795260
   0.09179865  0.07361743  0.15103245
   0.37039280  0.17587961  0.28822945
   0.10832455  0.31976112  0.02992220
   0.32174287  0.43924621  0.32322350
   0.52047790  0.37291710  0.21706117
   0.28830377  0.35376649  0.14960976
   0.23798838  0.07551310  0.44186402
   0.00155401  0.17537200  0.38106396
   0.00744257  0.03202837  0.53459759
   0.46703494  0.25341280  0.78564435
   0.11649356  0.28657680  0.52474595
   0.33069032  0.48429338  0.84700474
   0.43970489  0.46003979  0.67406909
   0.21199326  0.36009540  0.71450290
   0.30818561  0.21632066 -0.07205382
   0.04393858  0.17306400  0.87367484
   0.17616644  0.57134916  0.08631725
   0.40242321  0.67683712  0.25631150
   0.07740261  0.82672444  0.05464686
   0.40860241  0.93392916  0.33649350
   0.41344183  0.87515246  0.14280188
   0.18054844  0.85367838  0.23848861
   0.31429306  0.66473432  0.44313592
   0.03711813  0.65322284  0.42854966
   0.18109437  0.51493711  0.57235198
   0.33106923  0.75335678  0.77571093
   0.15975862  0.79100210  0.55578723
   0.35619465  1.01113431  0.80890582
   0.45002751  0.91527103  0.65640632
   0.15882652  0.94955239  0.69515204
   0.28420944  0.71341650 -0.04735081
   0.03814712  0.63493642  0.92086643
   0.62557408  0.04863936  0.10610563
   0.84354049  0.21390828  0.24403119
   0.60622391  0.30222941  0.03838369
   0.94016678  0.43490840  0.35262971
   0.02473591  0.41232724  0.19887803
   0.75021159  0.44446970  0.17352445
   0.73443820  0.19390152  0.41611449
   0.48023148  0.13158104  0.45378805
   0.66073509  0.06109997  0.57503373
   0.81276990  0.20623995  0.78900708
   0.63572539  0.32406659  0.56047275
   0.89781315  0.44083185  0.85289594
   0.98116766  0.43067801  0.65815688
   0.69823197  0.45934815  0.71978820
   0.80695587  0.13995970  0.97466979
   0.54496607  0.08968877  0.93437243
   0.55003306  0.55660889  0.06348709
   0.83372828  0.68503811  0.31152304
   0.61996145  0.81038827  0.03056107
   0.84644106  0.96925581  0.35160749
   0.91088173  0.87640287  0.18389149
   0.66124107  0.86603049  0.22619869
   0.80086125  0.54657513  0.46743878
   0.54696318  0.53600200  0.39412617
   0.60562303  0.59981774  0.57517112
   0.84600471  0.71278288  0.79789037
   0.63994470  0.78938945  0.43553997
   0.91462422  0.95259713  0.84283900
   0.92092271  0.85337429  0.65290753
   0.69165431  0.92912838  0.73282220
   0.77518356  0.60328390  0.96576745
   0.53077948  0.67165919  0.89031632
   0.63953131  0.79635764  0.58596600
   0.56036740  0.81341881  0.39339041
   0.88657983  0.27482830  0.07807040
   1.01986930  0.40884899  0.32009023
   0.30809772  0.12185394  0.65747172
   0.34636605  0.71592706  0.71198092
   0.04330937  1.16222002  0.15160080
   0.17304227  1.04269006 -0.00083963
   0.65779838  0.34346781  0.87128689
   0.91043890  0.43028325  0.60854237
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907964    0.532746   -0.145203
    -0.000000    9.852200    0.111957
    -0.000000    0.000000   13.935089
   Si   O    H 
    32    64    10
Direct configuration=  1503
   0.15740132  0.18617832 -0.04137109
   0.37417091  0.08041988  0.37995833
   0.15003206  0.41851829  0.11529100
   0.37257843  0.33505931  0.24561613
   0.09456899  0.13722337  0.47157188
   0.41774997  0.13870823  0.86258402
   0.12004388  0.38457141  0.61626851
   0.36235353  0.38101571  0.75732350
   0.13840234  0.68325924  0.00262784
   0.39244722  0.57633699  0.35359918
   0.06783154  0.91502444  0.15536604
   0.34476328  0.84250118  0.24261771
   0.16937063  0.64817146  0.50479529
   0.36597750  0.64683579  0.86524996
   0.06060085  0.90880816  0.60357519
   0.31589994  0.98733697  0.69895234
   0.64947461  0.15054855  1.00844053
   0.84984630  0.13378908  0.34673404
   0.60244870  0.42535266  0.12512170
   0.87992773  0.33829521  0.17453545
   0.62241238  0.18775010  0.49996323
   0.88998685  0.11925350  0.87673909
   0.59167438  0.45822707  0.63197666
   0.76548564  0.36418395  0.80287460
   0.62692632  0.66240548 -0.01177543
   0.90412113  0.58770329  0.38621553
   0.57676281  0.89809253  0.12656982
   0.81440087  0.85040714  0.27378982
   0.65277942  0.62025956  0.46466200
   0.89070977  0.60395502  0.88467016
   0.60621464  0.92765808  0.63152867
   0.84416787  0.86769123  0.75725112
   0.09152758  0.07385079  0.15067871
   0.36897717  0.17682380  0.28835923
   0.10745002  0.31991555  0.02965540
   0.32199869  0.43916725  0.32332300
   0.52017606  0.37369949  0.21677667
   0.28917571  0.35323459  0.15110752
   0.23788753  0.07521562  0.44270339
   0.00157998  0.17699767  0.38080428
   0.00956825  0.03325232  0.53407203
   0.46724898  0.25089555  0.78557253
   0.11533709  0.28777226  0.52441611
   0.32957249  0.48530985  0.84727832
   0.44068370  0.45895435  0.67412289
   0.21248523  0.35967148  0.71380425
   0.30838417  0.21690026 -0.07203099
   0.04507152  0.17206609  0.87347210
   0.17512731  0.57244380  0.08549507
   0.40332465  0.67803617  0.25632045
   0.07733846  0.82729501  0.05400996
   0.40709492  0.93200525  0.33708040
   0.41429080  0.87614522  0.14316428
   0.18133806  0.85265625  0.23818538
   0.31298063  0.66311687  0.44171584
   0.03750639  0.65310984  0.42762471
   0.17981348  0.51473256  0.57293349
   0.33089828  0.75317466  0.77547043
   0.15920199  0.79097258  0.55501786
   0.35706239  1.01150216  0.80980957
   0.45091004  0.91484237  0.65620255
   0.15785765  0.94905827  0.69475024
   0.28426468  0.71131047 -0.04699710
   0.04012144  0.63407967  0.92079884
   0.62540409  0.05163629  0.10642436
   0.84393322  0.21402668  0.24597548
   0.60463714  0.30196475  0.03878271
   0.94152355  0.43558708  0.35298549
   0.02392331  0.41109845  0.19804194
   0.75087824  0.44274700  0.17419410
   0.73316712  0.19362607  0.41627512
   0.48197532  0.13189975  0.45378914
   0.66001395  0.05996127  0.57487875
   0.81356891  0.20708001  0.78935673
   0.63471038  0.32411179  0.56061196
   0.89667973  0.44091340  0.85357008
   0.98081922  0.43157311  0.65790105
   0.69847239  0.45881835  0.71909529
   0.80793260  0.14040561  0.97431930
   0.54594634  0.09114825  0.93346625
   0.55046814  0.55646777  0.06338695
   0.83235784  0.68655122  0.31196091
   0.62102824  0.81185230  0.03025955
   0.84714909  0.96771943  0.35162016
   0.91002240  0.87638045  0.18303911
   0.66015922  0.86592753  0.22666165
   0.79933958  0.54643346  0.46749235
   0.54559565  0.53561846  0.39450072
   0.60486158  0.59896346  0.57520438
   0.84648111  0.71369015  0.80027231
   0.63988187  0.79061376  0.43406878
   0.91360541  0.95238089  0.84261440
   0.92175303  0.85159547  0.65293362
   0.69016211  0.92646737  0.73267492
   0.77506780  0.60108864  0.96734689
   0.53131104  0.67113173  0.88991681
   0.63864682  0.79687923  0.58490952
   0.56658994  0.81514971  0.39952324
   0.88688591  0.28766939  0.08280726
   1.02477912  0.40109723  0.32176622
   0.30573935  0.12025595  0.65252648
   0.33786664  0.71425205  0.71057292
   0.04492166  1.15999401  0.15074082
   0.17113844  1.04583208 -0.00002576
   0.65462053  0.33557920  0.86534209
   0.91567773  0.43126344  0.60753223
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910693    0.529932   -0.145317
    -0.000000    9.851560    0.113320
    -0.000000    0.000000   13.937398
   Si   O    H 
    32    64    10
Direct configuration=  1504
   0.15809982  0.18626626 -0.04139469
   0.37485746  0.07998713  0.37975962
   0.15031055  0.41791680  0.11498187
   0.37225602  0.33473747  0.24616753
   0.09476173  0.13728381  0.47145577
   0.41690301  0.13766437  0.86332612
   0.12112217  0.38464447  0.61540202
   0.36382472  0.38099132  0.75673640
   0.13734921  0.68357407  0.00299785
   0.39358639  0.57617371  0.35289005
   0.06886473  0.91477323  0.15524405
   0.34484493  0.84098553  0.24228193
   0.17001282  0.64632658  0.50446766
   0.36582104  0.64619736  0.86572777
   0.05942759  0.90952049  0.60366857
   0.31624173  0.98928725  0.69856410
   0.65025181  0.15055794  1.00757281
   0.84966353  0.13325382  0.34716683
   0.60110907  0.42555149  0.12634387
   0.87930119  0.33704057  0.17433695
   0.62209983  0.18729469  0.49999594
   0.89237748  0.11799905  0.87583782
   0.59071035  0.45761049  0.63132426
   0.76588844  0.36450754  0.80316159
   0.62689920  0.66246149 -0.01203570
   0.90407263  0.58855226  0.38655017
   0.57765422  0.89774055  0.12577418
   0.81469771  0.85034227  0.27434477
   0.65106937  0.62161824  0.46399956
   0.89152113  0.60351935  0.88447115
   0.60619065  0.92802735  0.63143361
   0.84325494  0.86687109  0.75700476
   0.09143442  0.07389432  0.15030852
   0.36752678  0.17875912  0.28842102
   0.10757794  0.32008318  0.02875545
   0.32186732  0.43915765  0.32346557
   0.52108265  0.37455361  0.21602630
   0.28953568  0.35341402  0.15188570
   0.23857319  0.07482070  0.44363515
   0.00064919  0.17904313  0.38044466
   0.01134913  0.03419581  0.53316335
   0.46723014  0.24950611  0.78510921
   0.11461590  0.28831002  0.52425349
   0.32857988  0.48603261  0.84728750
   0.44220053  0.45816404  0.67359445
   0.21319308  0.35872604  0.71226446
   0.30824309  0.21744227 -0.07088492
   0.04641657  0.17071429  0.87313263
   0.17334492  0.57361826  0.08504137
   0.40437422  0.67867325  0.25663765
   0.07750095  0.82710771  0.05294852
   0.40506662  0.92992217  0.33788320
   0.41511134  0.87738291  0.14301058
   0.18251234  0.85222154  0.23768801
   0.31105845  0.66197410  0.44068333
   0.03870057  0.65253154  0.42737126
   0.17861667  0.51494053  0.57316478
   0.32987204  0.75327515  0.77495594
   0.15877912  0.79181131  0.55470265
   0.35775155  1.01170395  0.81081904
   0.45168274  0.91453013  0.65541265
   0.15670623  0.94847847  0.69479375
   0.28475408  0.70904348 -0.04640240
   0.04179337  0.63280637  0.92094689
   0.62530061  0.05513576  0.10704393
   0.84429876  0.21429971  0.24762297
   0.60313971  0.30195141  0.03925988
   0.94283220  0.43607871  0.35316269
   0.02299308  0.40995894  0.19724327
   0.75209062  0.44120756  0.17450064
   0.73206212  0.19254900  0.41663662
   0.48438683  0.13307880  0.45404512
   0.65981234  0.05930804  0.57522195
   0.81385828  0.20794103  0.78975869
   0.63400448  0.32457416  0.56057220
   0.89494852  0.44126763  0.85379476
   0.98026455  0.43290381  0.65805853
   0.69878786  0.45856015  0.71835560
   0.80893698  0.14050813  0.97406014
   0.54652961  0.09245098  0.93276017
   0.55001673  0.55667424  0.06305543
   0.83032711  0.68823990  0.31195964
   0.62136180  0.81338432  0.03036751
   0.84828428  0.96584532  0.35180549
   0.90984074  0.87608525  0.18251059
   0.66035418  0.86553065  0.22723498
   0.79891654  0.54664330  0.46757055
   0.54434367  0.53550624  0.39507200
   0.60413873  0.59733454  0.57522803
   0.84722646  0.71449246  0.80293941
   0.64141429  0.79030415  0.43331816
   0.91213696  0.95220798  0.84265343
   0.92215953  0.85039574  0.65284756
   0.68901405  0.92384742  0.73298220
   0.77539866  0.59891392  0.96958848
   0.53162859  0.67089795  0.88959053
   0.63837348  0.80081585  0.58436930
   0.55320139  0.82876863  0.39746436
   0.88520066  0.29448826  0.08275390
   1.02690089  0.39426626  0.32261485
   0.30282647  0.11883720  0.64582712
   0.32950857  0.71060735  0.71185926
   0.04296283  1.16087883  0.15124278
   0.17164511  1.05177055  0.00187347
   0.65216960  0.33420682  0.86200235
   0.91728272  0.43092755  0.60487537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912893    0.527054   -0.145804
    -0.000000    9.850699    0.114478
    -0.000000    0.000000   13.939690
   Si   O    H 
    32    64    10
Direct configuration=  1505
   0.15854944  0.18701333 -0.04162570
   0.37519605  0.07969327  0.37951241
   0.15022456  0.41770375  0.11490898
   0.37247484  0.33407063  0.24657143
   0.09491772  0.13839476  0.47184295
   0.41591793  0.13717244  0.86395798
   0.12270847  0.38416292  0.61472530
   0.36521921  0.38100080  0.75614789
   0.13612123  0.68488110  0.00324231
   0.39473602  0.57656290  0.35199446
   0.06886324  0.91478112  0.15517197
   0.34471311  0.83913360  0.24177258
   0.17057473  0.64454976  0.50390508
   0.36603625  0.64528096  0.86547413
   0.05860410  0.91004437  0.60353868
   0.31654290  0.99132418  0.69844838
   0.65089979  0.15058778  1.00689434
   0.84898289  0.13343517  0.34754487
   0.59977035  0.42585368  0.12699633
   0.87798883  0.33630436  0.17428410
   0.62218159  0.18608317  0.50020430
   0.89477981  0.11661209  0.87463112
   0.59044186  0.45689876  0.63035736
   0.76616397  0.36510357  0.80302596
   0.62645279  0.66246443 -0.01221941
   0.90471995  0.58996293  0.38672225
   0.57853113  0.89759225  0.12478839
   0.81501074  0.85008782  0.27484816
   0.64953248  0.62248231  0.46338499
   0.89214193  0.60284360  0.88422321
   0.60610229  0.92842081  0.63087114
   0.84207221  0.86636635  0.75671553
   0.09055253  0.07422358  0.14980928
   0.36675038  0.18094112  0.28843345
   0.10792497  0.32003404  0.02789776
   0.32148315  0.43923577  0.32380442
   0.52188268  0.37557405  0.21501001
   0.29048851  0.35305932  0.15255408
   0.24039218  0.07457400  0.44394232
  -0.00101622  0.18027195  0.38009888
   0.01238045  0.03469584  0.53256461
   0.46652447  0.24939378  0.78417147
   0.11387096  0.28846398  0.52371796
   0.32838079  0.48630541  0.84699013
   0.44344501  0.45754432  0.67289754
   0.21461761  0.35769156  0.71137096
   0.30813296  0.21813836 -0.07009101
   0.04821192  0.16990111  0.87271141
   0.17177301  0.57566871  0.08423092
   0.40491363  0.67919986  0.25693771
   0.07869249  0.82765266  0.05273600
   0.40302853  0.92781444  0.33802052
   0.41566144  0.87771431  0.14279898
   0.18405594  0.85153432  0.23703989
   0.30918719  0.66133020  0.43932218
   0.04101215  0.65146068  0.42729898
   0.17753388  0.51584157  0.57272641
   0.32916830  0.75400009  0.77458271
   0.15860912  0.79201452  0.55397061
   0.35897311  1.01219471  0.81188956
   0.45108708  0.91403803  0.65457669
   0.15505233  0.94789375  0.69489689
   0.28502140  0.70673496 -0.04571669
   0.04247336  0.63181480  0.92140182
   0.62593165  0.05813928  0.10803563
   0.84490638  0.21382356  0.24890517
   0.60244238  0.30215383  0.04016431
   0.94430396  0.43661060  0.35309979
   0.02239728  0.40857589  0.19633869
   0.75273861  0.43988365  0.17487303
   0.73101522  0.19092580  0.41696881
   0.48686732  0.13432386  0.45433371
   0.65888187  0.05901638  0.57512316
   0.81418292  0.20839029  0.79009084
   0.63352347  0.32511285  0.56111116
   0.89303869  0.44239033  0.85424995
   0.98018711  0.43428655  0.65883269
   0.69864040  0.45826623  0.71811082
   0.80968994  0.13997539  0.97387315
   0.54617045  0.09367847  0.93116914
   0.54950879  0.55747072  0.06313086
   0.82839504  0.69043173  0.31173302
   0.62112298  0.81484293  0.03109938
   0.84859826  0.96294344  0.35197212
   0.91019647  0.87601208  0.18135623
   0.66021498  0.86434007  0.22772258
   0.79857369  0.54710003  0.46781200
   0.54317494  0.53515438  0.39546478
   0.60251003  0.59650939  0.57527369
   0.84824199  0.71508912  0.80582364
   0.64177775  0.79019243  0.43277617
   0.91035655  0.95300187  0.84283783
   0.92215632  0.84958457  0.65259526
   0.68822233  0.92109178  0.73350789
   0.77607182  0.59650096  0.97207070
   0.53098395  0.67060526  0.88864522
   0.63947037  0.80667316  0.58597970
   0.54889652  0.83606527  0.40111958
   0.88261796  0.29663712  0.07822871
   1.02504433  0.39072518  0.32572606
   0.29782183  0.11391969  0.63864705
   0.31982383  0.70990318  0.71600838
   0.03867125  1.16247886  0.15416218
   0.16898819  1.05667527  0.00126947
   0.64937877  0.33463098  0.86213121
   0.91646183  0.43467811  0.60160068
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915005    0.524341   -0.146389
    -0.000000    9.850151    0.115461
    -0.000000    0.000000   13.941572
   Si   O    H 
    32    64    10
Direct configuration=  1506
   0.15832687  0.18802905 -0.04141768
   0.37557488  0.07912701  0.37926259
   0.14988334  0.41788745  0.11461668
   0.37281388  0.33366068  0.24756026
   0.09461186  0.13973416  0.47224853
   0.41503196  0.13680223  0.86443921
   0.12457023  0.38343741  0.61388828
   0.36596162  0.38063066  0.75568002
   0.13613613  0.68646077  0.00363302
   0.39571715  0.57722262  0.35098262
   0.06843088  0.91521361  0.15563423
   0.34507168  0.83725402  0.24152935
   0.17085826  0.64375575  0.50278842
   0.36584247  0.64439651  0.86517497
   0.05805416  0.90992226  0.60394414
   0.31715096  0.99305674  0.69833717
   0.65105771  0.15053451  1.00668449
   0.84831767  0.13341816  0.34818352
   0.59910874  0.42605613  0.12749042
   0.87645090  0.33558904  0.17452138
   0.62243485  0.18481132  0.50069927
   0.89672622  0.11534896  0.87297679
   0.59121203  0.45695772  0.62983741
   0.76638036  0.36515749  0.80295407
   0.62578966  0.66231022 -0.01223166
   0.90546266  0.59054350  0.38666391
   0.57954163  0.89787459  0.12395707
   0.81556915  0.84971961  0.27517952
   0.64774767  0.62304562  0.46251419
   0.89276116  0.60234336  0.88398959
   0.60637301  0.92859188  0.63059612
   0.84075299  0.86592697  0.75660034
   0.08989864  0.07395017  0.14935437
   0.36579223  0.18317152  0.28836063
   0.10817619  0.31922481  0.02711502
   0.32083889  0.43978966  0.32489017
   0.52309584  0.37695507  0.21439351
   0.29086285  0.35209583  0.15271853
   0.24186888  0.07399183  0.44352772
  -0.00235270  0.18097941  0.37952252
   0.01301810  0.03483838  0.53255925
   0.46575125  0.24914152  0.78362745
   0.11333490  0.28868148  0.52348003
   0.32881742  0.48623135  0.84650425
   0.44468645  0.45818123  0.67166113
   0.21640938  0.35595195  0.71023901
   0.30886552  0.21899826 -0.06982656
   0.04990457  0.16911946  0.87252299
   0.16977917  0.57712113  0.08329754
   0.40583454  0.67949246  0.25775937
   0.08018199  0.82875919  0.05268526
   0.40100511  0.92574813  0.33815110
   0.41628930  0.87823816  0.14297935
   0.18465840  0.85102161  0.23581162
   0.30667122  0.66023327  0.43791436
   0.04299224  0.64989961  0.42747450
   0.17702243  0.51652629  0.57218295
   0.32907803  0.75477347  0.77406813
   0.15795550  0.79315596  0.55421897
   0.35928661  1.01210919  0.81273162
   0.44997554  0.91353059  0.65378921
   0.15423846  0.94766946  0.69490090
   0.28488040  0.70453134 -0.04503414
   0.04259267  0.63100964  0.92211209
   0.62627149  0.06056507  0.10863671
   0.84549643  0.21353339  0.24945042
   0.60166650  0.30282070  0.04107351
   0.94608498  0.43723955  0.35337208
   0.02175176  0.40694921  0.19486359
   0.75228098  0.43841757  0.17493990
   0.72967089  0.18870373  0.41741786
   0.48872535  0.13566255  0.45473471
   0.65747633  0.05903497  0.57506223
   0.81394301  0.20906899  0.79050571
   0.63326367  0.32499964  0.56175019
   0.89096389  0.44387029  0.85472948
   0.97898341  0.43505098  0.65940037
   0.69913722  0.45853456  0.71756140
   0.80936080  0.13983068  0.97362899
   0.54557877  0.09580520  0.92931164
   0.54949362  0.55809881  0.06329389
   0.82723011  0.69270802  0.31112348
   0.62157382  0.81596110  0.03156518
   0.84897342  0.96109897  0.35209538
   0.91078462  0.87616445  0.18092884
   0.65977319  0.86375674  0.22813200
   0.79794179  0.54786170  0.46808055
   0.54334798  0.53407436  0.39586826
   0.60084144  0.59657935  0.57517202
   0.84860568  0.71506066  0.80809236
   0.64095328  0.78949376  0.43208237
   0.90894687  0.95391996  0.84299492
   0.92254173  0.84838691  0.65192841
   0.68779741  0.91884652  0.73431617
   0.77677677  0.59479509  0.97449709
   0.53013838  0.67023445  0.88786148
   0.64518325  0.80804272  0.58563886
   0.55338924  0.83608912  0.40932397
   0.87745199  0.29783198  0.07016049
   1.02357635  0.38837474  0.32971302
   0.29087381  0.11252665  0.63195104
   0.30983431  0.70579927  0.71449921
   0.03647729  1.16126147  0.15854024
   0.16814896  1.05490496  0.00131414
   0.64647575  0.33809488  0.86321607
   0.91655629  0.43977727  0.60482886
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916934    0.521507   -0.146833
    -0.000000    9.849809    0.115844
    -0.000000    0.000000   13.943146
   Si   O    H 
    32    64    10
Direct configuration=  1507
   0.15817918  0.18917507 -0.04153285
   0.37570129  0.07866985  0.37893573
   0.14881928  0.41849325  0.11435940
   0.37336780  0.33417378  0.24880673
   0.09402921  0.14145141  0.47260852
   0.41375101  0.13688549  0.86501364
   0.12664970  0.38267758  0.61292318
   0.36691052  0.38038658  0.75522280
   0.13562806  0.68851916  0.00387308
   0.39694208  0.57777468  0.35008757
   0.06804092  0.91518828  0.15603226
   0.34602269  0.83527509  0.24139395
   0.17151622  0.64295006  0.50124049
   0.36612168  0.64393753  0.86491613
   0.05780586  0.90963005  0.60464376
   0.31820170  0.99550490  0.69814513
   0.65120501  0.14989747  1.00721096
   0.84786752  0.13348624  0.34839088
   0.59861878  0.42605424  0.12760162
   0.87509477  0.33533435  0.17497206
   0.62317861  0.18315260  0.50140979
   0.89831983  0.11481294  0.87197481
   0.59204897  0.45687040  0.62973187
   0.76632304  0.36514576  0.80329125
   0.62485742  0.66223951 -0.01230476
   0.90650110  0.59026471  0.38661355
   0.58014038  0.89880416  0.12330247
   0.81593936  0.84944867  0.27539366
   0.64527282  0.62366050  0.46224893
   0.89329081  0.60167119  0.88415208
   0.60668699  0.92819512  0.63080755
   0.83920107  0.86564442  0.75669529
   0.08879165  0.07426790  0.14911431
   0.36526067  0.18419607  0.28855741
   0.10984235  0.31781655  0.02646754
   0.31965353  0.44033937  0.32641214
   0.52273262  0.37889907  0.21426359
   0.29066809  0.35202376  0.15276047
   0.24251694  0.07381848  0.44335769
  -0.00341843  0.18196369  0.37950679
   0.01309349  0.03433082  0.53267299
   0.46450647  0.24830633  0.78331835
   0.11229571  0.28742464  0.52280866
   0.32880456  0.48600005  0.84524621
   0.44538996  0.45869032  0.67043706
   0.21852466  0.35350246  0.70922304
   0.31020513  0.22026822 -0.06995294
   0.05097774  0.16863469  0.87267846
   0.16785571  0.57740883  0.08304783
   0.40742205  0.67923729  0.25896057
   0.08132893  0.83015750  0.05243951
   0.39965548  0.92389012  0.33868330
   0.41711542  0.87899463  0.14343359
   0.18370619  0.85059073  0.23466169
   0.30459245  0.65895742  0.43688061
   0.04499031  0.64817883  0.42782575
   0.17730216  0.51785269  0.57124883
   0.32793539  0.75411001  0.77332322
   0.15731900  0.79345442  0.55404440
   0.35996247  1.01064996  0.81327243
   0.44836539  0.91393885  0.65328135
   0.15356795  0.94763144  0.69475887
   0.28448984  0.70299638 -0.04434106
   0.04271228  0.63077124  0.92324122
   0.62620176  0.06265543  0.10920652
   0.84495932  0.21279912  0.24900332
   0.60162538  0.30381107  0.04231581
   0.94696282  0.43868766  0.35382264
   0.02201685  0.40611317  0.19277834
   0.75158011  0.43702740  0.17532791
   0.72861325  0.18677469  0.41740674
   0.48980700  0.13730650  0.45493727
   0.65632047  0.05985583  0.57512163
   0.81382359  0.20949030  0.79098979
   0.63321034  0.32538966  0.56247249
   0.88905429  0.44563292  0.85574585
   0.97777680  0.43658580  0.65961925
   0.70032345  0.45890818  0.71722922
   0.80948286  0.13925269  0.97285621
   0.54472582  0.09721916  0.92775794
   0.54949243  0.55865256  0.06321146
   0.82669139  0.69446111  0.31044087
   0.62155410  0.81653998  0.03159550
   0.84936913  0.95970468  0.35244476
   0.91171314  0.87651382  0.18014353
   0.65876686  0.86316553  0.22899496
   0.79736085  0.54897586  0.46860720
   0.54401071  0.53349695  0.39679830
   0.59944198  0.59744625  0.57463761
   0.84826881  0.71577488  0.80977312
   0.64072469  0.78829991  0.43129974
   0.90783213  0.95510459  0.84242962
   0.92278059  0.84816755  0.65124799
   0.68735450  0.91633908  0.73527365
   0.77752765  0.59381536  0.97613933
   0.52982295  0.66949360  0.88720646
   0.65386373  0.80486102  0.58379628
   0.56209393  0.83610382  0.41943334
   0.87244990  0.29714012  0.06717000
   1.02458721  0.38407979  0.33104077
   0.28720077  0.11408022  0.62828610
   0.30490653  0.70461660  0.71373985
   0.03420772  1.15733585  0.16156397
   0.16991582  1.05102753  0.00314018
   0.64438603  0.34625546  0.86686417
   0.91549317  0.44446423  0.61128235
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919092    0.518101   -0.146849
    -0.000000    9.849222    0.116242
    -0.000000    0.000000   13.945203
   Si   O    H 
    32    64    10
Direct configuration=  1508
   0.15749097  0.18990509 -0.04126377
   0.37580497  0.07828866  0.37892551
   0.14755148  0.41915324  0.11410219
   0.37410976  0.33457763  0.24932180
   0.09334590  0.14346304  0.47262618
   0.41327941  0.13683483  0.86561026
   0.12825985  0.38198802  0.61234047
   0.36765103  0.38057111  0.75501603
   0.13517207  0.69047830  0.00355030
   0.39805314  0.57825073  0.34939727
   0.06744282  0.91455723  0.15668517
   0.34630244  0.83368623  0.24176142
   0.17161166  0.64275627  0.49995277
   0.36636924  0.64411512  0.86429451
   0.05751555  0.90909240  0.60505065
   0.31908068  0.99862353  0.69790601
   0.65107776  0.14962345  1.00825849
   0.84773386  0.13297767  0.34918010
   0.59885047  0.42582673  0.12733586
   0.87465883  0.33529045  0.17511207
   0.62388150  0.18219799  0.50217637
   0.89961069  0.11481395  0.87138018
   0.59292872  0.45708252  0.62934260
   0.76644259  0.36538875  0.80342067
   0.62390768  0.66206982 -0.01244853
   0.90744736  0.58990571  0.38681410
   0.58064750  0.89982401  0.12308526
   0.81523403  0.84962892  0.27502921
   0.64337085  0.62417769  0.46189020
   0.89296444  0.60095239  0.88475915
   0.60728116  0.92753068  0.63095670
   0.83819654  0.86503503  0.75702321
   0.08698350  0.07467991  0.14854159
   0.36453309  0.18503647  0.28827752
   0.11243053  0.31663854  0.02588772
   0.31893108  0.44075635  0.32804784
   0.52188290  0.38021250  0.21461424
   0.29016017  0.35250328  0.15242692
   0.24289225  0.07373057  0.44359520
  -0.00387181  0.18299504  0.37930757
   0.01206048  0.03425844  0.53342121
   0.46351368  0.24727360  0.78341293
   0.11115204  0.28631746  0.52223094
   0.32861138  0.48597997  0.84429473
   0.44611675  0.45908164  0.66937794
   0.22066417  0.35000926  0.70751490
   0.31156963  0.22175265 -0.07097801
   0.05228517  0.16783159  0.87249847
   0.16644219  0.57702145  0.08359726
   0.40902284  0.67855499  0.25995917
   0.08199890  0.83102055  0.05226016
   0.39853010  0.92133706  0.33894396
   0.41800987  0.87936692  0.14359109
   0.18299425  0.84933069  0.23338993
   0.30279091  0.65770432  0.43594039
   0.04666538  0.64706241  0.42849678
   0.17789186  0.51813386  0.57031298
   0.32529172  0.75280129  0.77234237
   0.15664079  0.79343835  0.55379777
   0.35998494  1.00836314  0.81355426
   0.44604234  0.91461786  0.65207553
   0.15307923  0.94784804  0.69457943
   0.28430302  0.70154122 -0.04318914
   0.04290679  0.63050212  0.92439521
   0.62645962  0.06395351  0.10907637
   0.84393039  0.21183127  0.24777016
   0.60170680  0.30492043  0.04300294
   0.94789209  0.44014595  0.35461326
   0.02334214  0.40577211  0.19128716
   0.75054840  0.43641857  0.17503253
   0.72806833  0.18529500  0.41706280
   0.49031940  0.13884840  0.45461205
   0.65502480  0.06138236  0.57506765
   0.81412025  0.20880542  0.79087861
   0.63249214  0.32560348  0.56319131
   0.88745574  0.44755932  0.85640267
   0.97642973  0.43776754  0.66018124
   0.70205698  0.45947729  0.71707701
   0.80950772  0.13896577  0.97181512
   0.54444432  0.09862450  0.92627816
   0.55074426  0.55963001  0.06421180
   0.82650316  0.69534095  0.30916810
   0.62209206  0.81625245  0.03121058
   0.85120379  0.95837869  0.35366084
   0.91216012  0.87697469  0.17978650
   0.65779777  0.86172119  0.22977102
   0.79616512  0.55040245  0.46796111
   0.54390638  0.53321539  0.39671134
   0.59767156  0.59832251  0.57378209
   0.84758299  0.71716206  0.81032019
   0.64152655  0.78633228  0.43037514
   0.90781238  0.95577855  0.84252610
   0.92323773  0.84812152  0.65082143
   0.68705683  0.91416038  0.73701690
   0.77873924  0.59370760  0.97782496
   0.52876259  0.66895902  0.88687995
   0.66033714  0.80311913  0.58165498
   0.55258339  0.84451926  0.42646740
   0.86896173  0.29319118  0.07091223
   1.02641136  0.38107882  0.33191681
   0.28586392  0.11486308  0.62649535
   0.30123077  0.70985863  0.71342038
   0.03033361  1.15597540  0.16540129
   0.17032608  1.05140953  0.00282891
   0.64517175  0.35503899  0.86808981
   0.90595481  0.45120300  0.60882283
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921266    0.514203   -0.147058
    -0.000000    9.848926    0.116994
    -0.000000    0.000000   13.947523
   Si   O    H 
    32    64    10
Direct configuration=  1509
   0.15690227  0.19070236 -0.04105550
   0.37630127  0.07794740  0.37847738
   0.14645566  0.42002937  0.11413440
   0.37483770  0.33538128  0.24976121
   0.09348164  0.14460467  0.47253416
   0.41349511  0.13716141  0.86617997
   0.12931613  0.38145629  0.61227462
   0.36833284  0.38064644  0.75466967
   0.13474717  0.69286818  0.00331483
   0.39931662  0.57882319  0.34856728
   0.06630249  0.91405407  0.15706887
   0.34656383  0.83244017  0.24230282
   0.17187006  0.64299632  0.49850541
   0.36666023  0.64446392  0.86340624
   0.05756777  0.90808077  0.60549321
   0.31900103  1.00146418  0.69756330
   0.65145721  0.14984184  1.00938377
   0.84773101  0.13242737  0.35008806
   0.59953451  0.42526047  0.12657141
   0.87496353  0.33482677  0.17504565
   0.62458838  0.18138013  0.50259288
   0.90019441  0.11493738  0.87104377
   0.59391480  0.45670792  0.62862956
   0.76632439  0.36574652  0.80398738
   0.62355082  0.66193902 -0.01260041
   0.90799653  0.58969348  0.38721143
   0.58147206  0.90124080  0.12345517
   0.81405161  0.85008335  0.27435984
   0.64159121  0.62488656  0.46167710
   0.89285657  0.60033760  0.88511585
   0.60741386  0.92629922  0.63099289
   0.83790370  0.86483648  0.75707295
   0.08641621  0.07620411  0.14810239
   0.36408374  0.18531392  0.28802716
   0.11531797  0.31542772  0.02534419
   0.31765121  0.44159319  0.32932214
   0.52041438  0.38075218  0.21557419
   0.28924352  0.35349338  0.15244614
   0.24222143  0.07364274  0.44355666
  -0.00470569  0.18444287  0.37939803
   0.01171620  0.03378667  0.53405644
   0.46293776  0.24589304  0.78334612
   0.11110013  0.28551231  0.52199102
   0.32899075  0.48534319  0.84282256
   0.44570561  0.46005548  0.66865126
   0.22248747  0.34661488  0.70575071
   0.31233115  0.22297801 -0.07175519
   0.05259738  0.16704974  0.87253790
   0.16519455  0.57607348  0.08395012
   0.40955316  0.67857491  0.26066225
   0.08240734  0.83212212  0.05218433
   0.39650623  0.91928306  0.33863875
   0.41895399  0.87999244  0.14374082
   0.18257607  0.84846880  0.23202899
   0.30147448  0.65505457  0.43493030
   0.04711392  0.64582423  0.42902109
   0.17842799  0.51819411  0.56971721
   0.32310294  0.75128885  0.77171729
   0.15585027  0.79271631  0.55347127
   0.35960254  1.00628790  0.81324548
   0.44373163  0.91552633  0.65064794
   0.15278313  0.94954197  0.69528059
   0.28392385  0.70017388 -0.04167952
   0.04274979  0.63009273  0.92599050
   0.62703764  0.06444801  0.10933814
   0.84223969  0.21110103  0.24674458
   0.60210678  0.30621616  0.04280764
   0.94905450  0.44222700  0.35486660
   0.02447051  0.40454739  0.18872585
   0.74903666  0.43679536  0.17469661
   0.72743256  0.18426392  0.41704635
   0.49036483  0.13948114  0.45432437
   0.65468816  0.06286462  0.57588732
   0.81467281  0.20929114  0.79095349
   0.63220873  0.32593987  0.56316059
   0.88613400  0.44853265  0.85678130
   0.97533345  0.43781374  0.65979770
   0.70402955  0.45989754  0.71681366
   0.80960311  0.13874828  0.97064838
   0.54473005  0.09941993  0.92532911
   0.55208474  0.56120070  0.06471478
   0.82661638  0.69633878  0.30788446
   0.62261533  0.81589710  0.03107466
   0.85371880  0.95820083  0.35465052
   0.91289662  0.87714925  0.17911219
   0.65732188  0.86076358  0.23020664
   0.79454007  0.55193693  0.46766223
   0.54412665  0.53221330  0.39611999
   0.59619431  0.59926376  0.57302480
   0.84683416  0.71867675  0.81039571
   0.64197850  0.78451557  0.43012622
   0.90649873  0.95637766  0.84276405
   0.92342224  0.84876162  0.65089933
   0.68657730  0.91256074  0.73849199
   0.78000507  0.59453791  0.97888564
   0.52759745  0.66880044  0.88679652
   0.66789628  0.80747147  0.58192172
   0.54773800  0.84601635  0.43336841
   0.87002669  0.28428428  0.07618730
   1.02526935  0.38232108  0.33365093
   0.28920096  0.11542940  0.62901356
   0.29889460  0.71102361  0.71157228
   0.02647840  1.15404921  0.16828984
   0.17048682  1.05282361  0.00141374
   0.64824912  0.36696032  0.86714000
   0.90129367  0.45851929  0.60807571
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923570    0.509531   -0.146919
    -0.000000    9.848468    0.117363
    -0.000000    0.000000   13.949907
   Si   O    H 
    32    64    10
Direct configuration=  1510
   0.15665779  0.19090102 -0.04073961
   0.37665692  0.07832564  0.37790259
   0.14482833  0.42057505  0.11429753
   0.37556472  0.33584243  0.24998184
   0.09300302  0.14539539  0.47244313
   0.41339563  0.13788781  0.86635223
   0.12979385  0.38127813  0.61261101
   0.36857358  0.38119020  0.75476217
   0.13443288  0.69563489  0.00291884
   0.40013005  0.57943729  0.34775383
   0.06496526  0.91371818  0.15694945
   0.34658128  0.83156693  0.24332987
   0.17183404  0.64389486  0.49674772
   0.36611982  0.64493080  0.86219579
   0.05796881  0.90751696  0.60578221
   0.31869215  1.00366275  0.69738349
   0.65175775  0.15033497  1.01032696
   0.84755074  0.13184738  0.35116352
   0.59994333  0.42462951  0.12590551
   0.87522991  0.33456051  0.17478532
   0.62480653  0.18098690  0.50296584
   0.90052615  0.11488559  0.87107275
   0.59513136  0.45586766  0.62767580
   0.76640022  0.36610461  0.80506702
   0.62336205  0.66218746 -0.01271781
   0.90838757  0.58927722  0.38710775
   0.58244283  0.90225492  0.12417459
   0.81258325  0.85055870  0.27367514
   0.63959729  0.62556434  0.46172436
   0.89218484  0.59988171  0.88532055
   0.60773027  0.92504108  0.63074335
   0.83786708  0.86407017  0.75733523
   0.08581299  0.07795912  0.14785206
   0.36319600  0.18577618  0.28787593
   0.11778574  0.31418589  0.02437393
   0.31672586  0.44206055  0.33094497
   0.51805770  0.38105465  0.21677339
   0.28746340  0.35408113  0.15219776
   0.24190525  0.07422101  0.44405335
  -0.00517845  0.18453263  0.37960740
   0.01108573  0.03360432  0.53544084
   0.46273830  0.24457676  0.78284458
   0.11023469  0.28439841  0.52247667
   0.32917157  0.48465048  0.84215023
   0.44504193  0.46015965  0.66783625
   0.22445865  0.34321329  0.70404326
   0.31205243  0.22448928 -0.07267033
   0.05234383  0.16679829  0.87232206
   0.16432952  0.57447414  0.08407735
   0.40945259  0.67849925  0.26100099
   0.08257556  0.83312434  0.05139292
   0.39429999  0.91711845  0.33818245
   0.42078290  0.88075426  0.14399275
   0.18271870  0.84679372  0.23098673
   0.30197615  0.65253794  0.43402949
   0.04752064  0.64437917  0.42941790
   0.17914317  0.51906726  0.56877561
   0.32115100  0.74885635  0.77102512
   0.15516025  0.79227831  0.55294439
   0.35865653  1.00435093  0.81273635
   0.44164181  0.91576483  0.64912501
   0.15284644  0.95106289  0.69494089
   0.28381140  0.69953129 -0.04043729
   0.04182143  0.63026513  0.92716355
   0.62684239  0.06479214  0.10968200
   0.84101875  0.21020277  0.24619437
   0.60325317  0.30740609  0.04245591
   0.95017661  0.44396326  0.35433364
   0.02580224  0.40273585  0.18589638
   0.74759858  0.43812619  0.17442666
   0.72643906  0.18492379  0.41708385
   0.48974003  0.14033213  0.45400823
   0.65384762  0.06382339  0.57672610
   0.81574622  0.20990349  0.79042441
   0.63218854  0.32567479  0.56248460
   0.88484271  0.44842568  0.85592189
   0.97429833  0.43845786  0.65888558
   0.70597784  0.46033869  0.71643734
   0.80981833  0.13854950  0.96991065
   0.54564216  0.09999211  0.92416392
   0.55319516  0.56292544  0.06549518
   0.82748850  0.69597236  0.30679458
   0.62370649  0.81541057  0.03018706
   0.85564417  0.95856299  0.35538286
   0.91305445  0.87706964  0.17843355
   0.65711642  0.85996557  0.23033505
   0.79363173  0.55381004  0.46684080
   0.54447076  0.53156911  0.39583907
   0.59465666  0.60080347  0.57223540
   0.84589779  0.71950169  0.81064352
   0.64166986  0.78433157  0.42992232
   0.90487678  0.95778189  0.84291838
   0.92401993  0.84976795  0.65179595
   0.68556058  0.91147823  0.73972707
   0.78163737  0.59531069  0.97923597
   0.52638642  0.66848174  0.88683172
   0.67424069  0.81327753  0.58477411
   0.55394465  0.83605683  0.43829995
   0.87404566  0.27518035  0.08229062
   1.02214672  0.38458313  0.33352146
   0.29065138  0.11785861  0.63271222
   0.29686870  0.70846257  0.70955342
   0.02317201  1.14816837  0.17198872
   0.17272559  1.05753483  0.00068255
   0.65108731  0.37497295  0.86660561
   0.90477291  0.46357214  0.61221985
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925619    0.505147   -0.146462
    -0.000000    9.848001    0.117749
    -0.000000    0.000000   13.951862
   Si   O    H 
    32    64    10
Direct configuration=  1511
   0.15675799  0.19060346 -0.04041761
   0.37710108  0.07938362  0.37760962
   0.14284716  0.42048490  0.11442455
   0.37601947  0.33662434  0.25019632
   0.09368448  0.14497331  0.47211503
   0.41395564  0.13803258  0.86675663
   0.12967033  0.38123337  0.61311445
   0.36914055  0.38122384  0.75480216
   0.13447424  0.69825855  0.00229655
   0.40082646  0.58067599  0.34732986
   0.06306868  0.91308115  0.15669204
   0.34654417  0.83137948  0.24456057
   0.17187234  0.64504141  0.49537244
   0.36479074  0.64535792  0.86107750
   0.05846071  0.90693868  0.60657341
   0.31779665  1.00565600  0.69723470
   0.65251955  0.15211018  1.01126995
   0.84770705  0.13047866  0.35202442
   0.60042841  0.42426625  0.12532613
   0.87589187  0.33402950  0.17441643
   0.62488189  0.18129489  0.50263142
   0.90016549  0.11444308  0.87094392
   0.59648311  0.45549975  0.62649573
   0.76687826  0.36729609  0.80584664
   0.62330417  0.66174320 -0.01259925
   0.90885994  0.58844857  0.38723693
   0.58407364  0.90311603  0.12517850
   0.81163359  0.85059576  0.27279503
   0.63831243  0.62660443  0.46146107
   0.89185714  0.59915076  0.88604036
   0.60813925  0.92397288  0.63068999
   0.83764728  0.86322918  0.75735315
   0.08554899  0.07972960  0.14737750
   0.36211474  0.18552496  0.28764407
   0.11976897  0.31366206  0.02382050
   0.31617275  0.44327056  0.33225751
   0.51641569  0.38128019  0.21801255
   0.28620509  0.35390680  0.15225064
   0.24111236  0.07439373  0.44420665
  -0.00575599  0.18378454  0.37920358
   0.01012846  0.03379759  0.53663905
   0.46282574  0.24337666  0.78253853
   0.10967918  0.28428051  0.52357070
   0.32962874  0.48415489  0.84153342
   0.44428812  0.45982560  0.66672240
   0.22586579  0.34045652  0.70239234
   0.31153313  0.22578844 -0.07353427
   0.05210994  0.16641814  0.87281642
   0.16366311  0.57297081  0.08431125
   0.40907563  0.67813637  0.26092813
   0.08242730  0.83472966  0.05080184
   0.39257145  0.91607486  0.33766835
   0.42224192  0.88131649  0.14407675
   0.18217144  0.84502493  0.23027993
   0.30303794  0.65020763  0.43321156
   0.04672543  0.64275959  0.42936962
   0.17925690  0.52004978  0.56764619
   0.31903798  0.74610301  0.77102589
   0.15444443  0.79239778  0.55249796
   0.35722201  1.00312874  0.81190735
   0.43964691  0.91656978  0.64725340
   0.15360145  0.95306285  0.69431877
   0.28396256  0.69882058 -0.03953881
   0.04058801  0.63032451  0.92848593
   0.62629299  0.06452908  0.11009461
   0.83963194  0.20902869  0.24588991
   0.60513921  0.30771652  0.04190923
   0.95068532  0.44535000  0.35360335
   0.02642581  0.40077226  0.18372457
   0.74688146  0.43946398  0.17474304
   0.72585992  0.18536648  0.41726115
   0.48861406  0.14121613  0.45394598
   0.65323886  0.06481947  0.57832529
   0.81697962  0.21054808  0.78989725
   0.63162804  0.32484649  0.56225446
   0.88386496  0.44858759  0.85478006
   0.97437530  0.43865288  0.65842467
   0.70750619  0.46095945  0.71533782
   0.80910279  0.13807922  0.96955959
   0.54696112  0.10067815  0.92342917
   0.55464916  0.56488032  0.06605312
   0.82854554  0.69533653  0.30604624
   0.62431970  0.81493701  0.02944519
   0.85797222  0.95947143  0.35610819
   0.91213183  0.87741783  0.17836687
   0.65672437  0.85943105  0.23017481
   0.79245976  0.55657426  0.46605414
   0.54519418  0.53081098  0.39536391
   0.59323286  0.60227584  0.57157765
   0.84487890  0.72010345  0.81027187
   0.64085930  0.78451446  0.42923078
   0.90365932  0.95913104  0.84311796
   0.92444854  0.85077199  0.65281002
   0.68451619  0.90984331  0.74036690
   0.78259923  0.59621857  0.97875275
   0.52545045  0.66771895  0.88709788
   0.67721338  0.81612232  0.58666843
   0.55896486  0.82732716  0.44149454
   0.87626431  0.26633511  0.08481818
   1.01896857  0.38895505  0.33224017
   0.29573029  0.12075289  0.63591111
   0.29743375  0.70543261  0.70594063
   0.01896678  1.14177586  0.17541701
   0.17593468  1.05915312  0.00216567
   0.65016265  0.37993453  0.86687433
   0.90919035  0.46732062  0.61589785
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927510    0.500887   -0.146184
    -0.000000    9.847678    0.118482
    -0.000000    0.000000   13.953976
   Si   O    H 
    32    64    10
Direct configuration=  1512
   0.15719823  0.19059192 -0.04026663
   0.37750206  0.07993194  0.37763585
   0.14154856  0.42041279  0.11451259
   0.37615650  0.33815430  0.25022438
   0.09448044  0.14468015  0.47141231
   0.41476853  0.13849106  0.86726397
   0.12895404  0.38173253  0.61370165
   0.37006521  0.38121893  0.75464927
   0.13535325  0.70053812  0.00208801
   0.40091482  0.58192914  0.34711199
   0.06175870  0.91171584  0.15648483
   0.34665763  0.83197308  0.24536936
   0.17171173  0.64682957  0.49419645
   0.36424905  0.64526884  0.86002981
   0.05933627  0.90642876  0.60698320
   0.31682170  1.00757512  0.69711793
   0.65318287  0.15323117  1.01226020
   0.84758787  0.12913438  0.35266197
   0.60155971  0.42427820  0.12463787
   0.87704680  0.33396383  0.17413202
   0.62459835  0.18227006  0.50249597
   0.89941007  0.11420588  0.87032701
   0.59783572  0.45522072  0.62548069
   0.76710842  0.36828949  0.80623501
   0.62365983  0.66123350 -0.01280930
   0.90863339  0.58857416  0.38734937
   0.58475451  0.90371653  0.12586735
   0.81057266  0.85016257  0.27206358
   0.63753073  0.62724823  0.46079727
   0.89160207  0.59941567  0.88724207
   0.60823851  0.92344353  0.63085607
   0.83801255  0.86278804  0.75756994
   0.08550183  0.08101386  0.14736253
   0.36097429  0.18548446  0.28764616
   0.12138167  0.31415095  0.02361658
   0.31485681  0.44397560  0.33340518
   0.51502323  0.38170493  0.21920927
   0.28629645  0.35371316  0.15265034
   0.24043988  0.07474932  0.44419556
  -0.00502468  0.18329789  0.37939296
   0.00967554  0.03350539  0.53777841
   0.46307730  0.24218955  0.78260920
   0.10926714  0.28435182  0.52472756
   0.32980841  0.48357601  0.84132454
   0.44318554  0.45954407  0.66585925
   0.22767388  0.33853659  0.70095359
   0.31166691  0.22814199 -0.07431139
   0.05166141  0.16595840  0.87313177
   0.16364276  0.57205442  0.08459719
   0.40842477  0.67815168  0.26049125
   0.08204654  0.83569152  0.05045467
   0.39171473  0.91548213  0.33753198
   0.42361239  0.88155174  0.14478345
   0.18311368  0.84399369  0.23001245
   0.30455364  0.64838921  0.43187551
   0.04546892  0.64191234  0.42968356
   0.17944764  0.52191229  0.56702435
   0.31725590  0.74341056  0.77040398
   0.15364092  0.79344596  0.55126709
   0.35593393  1.00216773  0.81128308
   0.43853940  0.91714572  0.64525811
   0.15475484  0.95534777  0.69415201
   0.28433175  0.69898616 -0.03928782
   0.03879928  0.62991973  0.92923924
   0.62574922  0.06402859  0.11113713
   0.83849461  0.20756538  0.24646690
   0.60717474  0.30807811  0.04114180
   0.95029252  0.44645637  0.35291171
   0.02599923  0.39935396  0.18202446
   0.74623988  0.44085630  0.17496222
   0.72637930  0.18531177  0.41730667
   0.48680516  0.14175342  0.45345381
   0.65295995  0.06500312  0.58049901
   0.81775501  0.21132040  0.78926628
   0.63101147  0.32437938  0.56179609
   0.88320891  0.44754131  0.85302546
   0.97616963  0.43892093  0.65862103
   0.70922279  0.46185378  0.71393136
   0.80820496  0.13763622  0.96948478
   0.54872315  0.10075689  0.92343451
   0.55556481  0.56625729  0.06637838
   0.82958976  0.69449363  0.30567302
   0.62450021  0.81415836  0.02876795
   0.85993425  0.96053198  0.35630158
   0.91142559  0.87797684  0.17893813
   0.65725464  0.85972180  0.22925934
   0.79072895  0.55967414  0.46563245
   0.54614049  0.53057034  0.39500569
   0.59253101  0.60418649  0.57102170
   0.84423964  0.71994780  0.80994144
   0.64080089  0.78419061  0.42791501
   0.90287832  0.96065159  0.84303771
   0.92488304  0.85042885  0.65436041
   0.68278861  0.90829798  0.74043646
   0.78246891  0.59656118  0.97809823
   0.52421080  0.66704779  0.88734811
   0.68016868  0.81408795  0.58488305
   0.54998674  0.82842919  0.44441922
   0.88156816  0.25600371  0.08529335
   1.02424922  0.38574660  0.32592109
   0.30217584  0.12842413  0.63966573
   0.29796638  0.70497513  0.70702676
   0.01613535  1.13801960  0.18176987
   0.18146320  1.06177308  0.00428493
   0.64534499  0.38247669  0.86759974
   0.90299615  0.47249813  0.61030462
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929152    0.496887   -0.146357
    -0.000000    9.847575    0.118483
    -0.000000    0.000000   13.955989
   Si   O    H 
    32    64    10
Direct configuration=  1513
   0.15701362  0.19076633 -0.04033094
   0.37751115  0.08004861  0.37740513
   0.14153724  0.41961242  0.11438099
   0.37599079  0.33960270  0.25035897
   0.09476020  0.14395606  0.47050188
   0.41577634  0.13812820  0.86744652
   0.12730465  0.38262574  0.61430182
   0.37145224  0.38117299  0.75384416
   0.13661147  0.70184978  0.00189968
   0.40039159  0.58237777  0.34751125
   0.06060860  0.91044239  0.15612666
   0.34757851  0.83229925  0.24578502
   0.17212740  0.64804848  0.49339770
   0.36318048  0.64477390  0.85931000
   0.05972869  0.90620363  0.60748341
   0.31592877  1.00893071  0.69728238
   0.65323852  0.15380738  1.01253586
   0.84796469  0.12754289  0.35312268
   0.60295779  0.42433600  0.12359070
   0.87777624  0.33374258  0.17371791
   0.62427350  0.18294037  0.50186070
   0.89801093  0.11446399  0.86972380
   0.59913905  0.45456418  0.62389651
   0.76661431  0.36911353  0.80620132
   0.62406200  0.66040480 -0.01312741
   0.90828474  0.58941932  0.38775033
   0.58531459  0.90435440  0.12634630
   0.80967165  0.84978674  0.27127563
   0.63686688  0.62792291  0.46004129
   0.89036648  0.59955716  0.88847190
   0.60836563  0.92277845  0.63110866
   0.83815327  0.86231850  0.75755011
   0.08472307  0.08094811  0.14785596
   0.35976354  0.18638318  0.28817014
   0.12328902  0.31519054  0.02393018
   0.31441933  0.44490310  0.33428775
   0.51477732  0.38288188  0.21966644
   0.28635928  0.35419695  0.15308941
   0.24007584  0.07472850  0.44465932
  -0.00319350  0.18294357  0.37928617
   0.00992815  0.03396181  0.53849089
   0.46321220  0.24160464  0.78326847
   0.10907395  0.28457793  0.52613908
   0.32975910  0.48339553  0.84158490
   0.44276515  0.45895212  0.66495687
   0.22938641  0.33692415  0.69951847
   0.31017625  0.23124655 -0.07552928
   0.05132266  0.16606730  0.87299367
   0.16343713  0.57175797  0.08503716
   0.40745851  0.67839605  0.25950610
   0.08153201  0.83702605  0.05069719
   0.39078444  0.91524523  0.33791936
   0.42539596  0.88223707  0.14510485
   0.18387269  0.84359837  0.22946116
   0.30631366  0.64658726  0.43093997
   0.04424311  0.64139091  0.42956155
   0.18020825  0.52297578  0.56681533
   0.31466566  0.74082437  0.76926898
   0.15373739  0.79411142  0.54963576
   0.35404279  1.00184409  0.81100595
   0.43899989  0.91775499  0.64312938
   0.15671722  0.95876328  0.69420376
   0.28520060  0.69912996 -0.03952848
   0.03675525  0.62873062  0.92970205
   0.62419242  0.06384906  0.11200056
   0.83746785  0.20637404  0.24716703
   0.60907538  0.30916021  0.04061076
   0.95052473  0.44706131  0.35183266
   0.02462591  0.39809861  0.18128703
   0.74574859  0.44215047  0.17583563
   0.72751196  0.18537025  0.41674279
   0.48542041  0.14207099  0.45288606
   0.65289479  0.06544982  0.58263715
   0.81848306  0.21139921  0.78841539
   0.62981182  0.32396267  0.56114382
   0.88264497  0.44637815  0.85124578
   0.97868929  0.43914509  0.65891084
   0.71065165  0.46264918  0.71214115
   0.80687532  0.13757780  0.96891855
   0.55071965  0.10220925  0.92366472
   0.55658194  0.56721640  0.06653942
   0.83143454  0.69261452  0.30542173
   0.62455843  0.81322901  0.02890103
   0.86077308  0.96179483  0.35606700
   0.91001771  0.87932346  0.18006376
   0.65730194  0.85925431  0.22834856
   0.78959222  0.56255380  0.46590509
   0.54679557  0.53062523  0.39399360
   0.59288363  0.60551293  0.57071668
   0.84358260  0.71859537  0.80967638
   0.64026825  0.78409662  0.42663144
   0.90252152  0.96126841  0.84243538
   0.92467816  0.85057584  0.65631548
   0.68053942  0.90661254  0.74073312
   0.78219107  0.59774166  0.97731938
   0.52304330  0.66614107  0.88747890
   0.68161916  0.81105436  0.58167306
   0.54766155  0.82614229  0.44620894
   0.88774517  0.24799482  0.08617234
   1.02532908  0.38591619  0.32231225
   0.30951976  0.13827079  0.64211797
   0.30019619  0.70416281  0.71097505
   0.01973714  1.13442073  0.18435139
   0.18875742  1.06145589  0.00748278
   0.64448165  0.38193043  0.86881839
   0.90271295  0.47331757  0.60736079
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930801    0.493218   -0.146756
    -0.000000    9.847583    0.118238
    -0.000000    0.000000   13.957849
   Si   O    H 
    32    64    10
Direct configuration=  1514
   0.15722914  0.19126229 -0.03983694
   0.37713097  0.07969743  0.37729479
   0.14169783  0.41841608  0.11338587
   0.37558166  0.34118523  0.25056047
   0.09472725  0.14299424  0.46961902
   0.41643269  0.13800562  0.86730828
   0.12600770  0.38346940  0.61479304
   0.37246129  0.38159144  0.75314053
   0.13820791  0.70186936  0.00178943
   0.40013952  0.58219203  0.34793440
   0.06008798  0.90999029  0.15603231
   0.34824525  0.83285634  0.24582433
   0.17247711  0.64908486  0.49276896
   0.36220034  0.64460576  0.85907619
   0.05912800  0.90579783  0.60747880
   0.31532466  1.00940405  0.69751405
   0.65342342  0.15418808  1.01283862
   0.84840664  0.12651586  0.35317671
   0.60361755  0.42412063  0.12242174
   0.87876565  0.33288513  0.17342319
   0.62382103  0.18325934  0.50125881
   0.89600673  0.11542686  0.86926763
   0.60045324  0.45380012  0.62270677
   0.76549697  0.36979755  0.80603689
   0.62381073  0.66025337 -0.01349535
   0.90793235  0.59028400  0.38755663
   0.58589837  0.90477269  0.12694803
   0.80865355  0.84924460  0.27079551
   0.63740598  0.62901330  0.45943101
   0.88893947  0.59977985  0.88931074
   0.60857519  0.92246638  0.63150335
   0.83851784  0.86219860  0.75750047
   0.08414178  0.08034267  0.14941735
   0.35911914  0.18731165  0.28835198
   0.12437179  0.31746734  0.02381492
   0.31441891  0.44648880  0.33493124
   0.51536093  0.38513976  0.21942762
   0.28639182  0.35373545  0.15365825
   0.24009464  0.07518921  0.44543173
  -0.00101044  0.18275908  0.37910309
   0.01010292  0.03515117  0.53873124
   0.46267777  0.24179826  0.78351387
   0.10859074  0.28589880  0.52713421
   0.32925993  0.48321466  0.84155461
   0.44205083  0.45837823  0.66413553
   0.23230638  0.33460049  0.69863112
   0.30886235  0.23338801 -0.07673240
   0.05126032  0.16635948  0.87308696
   0.16298325  0.57207430  0.08560609
   0.40695262  0.67844444  0.25818530
   0.08094661  0.83860471  0.05090301
   0.38937876  0.91615354  0.33812715
   0.42713195  0.88295821  0.14513818
   0.18458345  0.84282906  0.22866318
   0.30871803  0.64549406  0.43047832
   0.04368075  0.64177936  0.42926229
   0.18148495  0.52355824  0.56691341
   0.31180287  0.73808142  0.76910162
   0.15432786  0.79493826  0.54805441
   0.35319254  1.00199387  0.81097264
   0.43981364  0.91922373  0.64089712
   0.15937689  0.96163912  0.69375719
   0.28634176  0.69988732 -0.03993307
   0.03443957  0.62826517  0.92962645
   0.62275525  0.06371554  0.11282061
   0.83723134  0.20551584  0.24750785
   0.61111074  0.30992011  0.04018564
   0.95052307  0.44681762  0.35060627
   0.02272158  0.39759044  0.18073474
   0.74623964  0.44297934  0.17643788
   0.72860876  0.18610152  0.41622986
   0.48381541  0.14151807  0.45226809
   0.65276002  0.06501659  0.58517943
   0.81942209  0.21129663  0.78745773
   0.62858488  0.32365993  0.56067685
   0.88261298  0.44529936  0.84971888
   0.97997400  0.43909273  0.65875041
   0.71188840  0.46313823  0.71011434
   0.80581993  0.13695365  0.96846538
   0.55355462  0.10299467  0.92430742
   0.55688641  0.56832879  0.06694937
   0.83291993  0.69014449  0.30556693
   0.62465346  0.81325983  0.02925061
   0.86042658  0.96251995  0.35601008
   0.90857625  0.88040337  0.18074504
   0.65771984  0.85894086  0.22747612
   0.78893015  0.56646973  0.46638004
   0.54720041  0.53090950  0.39353878
   0.59267306  0.60666092  0.57004677
   0.84290298  0.71613844  0.80945116
   0.63936641  0.78537201  0.42524788
   0.90152913  0.96159953  0.84127728
   0.92382771  0.85082826  0.65812471
   0.67898318  0.90443742  0.74065792
   0.78188483  0.59841977  0.97635981
   0.52211066  0.66485097  0.88725954
   0.67920076  0.81152510  0.57671275
   0.55602072  0.82421418  0.44720987
   0.89145667  0.24429385  0.08713196
   1.02042648  0.39010551  0.32316484
   0.31367855  0.14563572  0.64536977
   0.29691659  0.69753124  0.70616508
   0.01760753  1.13645090  0.18979492
   0.19348250  1.06166240  0.00859867
   0.64622839  0.38140130  0.86869204
   0.91202241  0.46739959  0.60976279
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932248    0.489723   -0.147844
    -0.000000    9.847293    0.118024
    -0.000000    0.000000   13.959610
   Si   O    H 
    32    64    10
Direct configuration=  1515
   0.15782791  0.19156545 -0.03944612
   0.37642777  0.07883863  0.37736227
   0.14216726  0.41715534  0.11204179
   0.37508719  0.34220787  0.25103118
   0.09452641  0.14230377  0.46886881
   0.41756882  0.13718960  0.86722189
   0.12462055  0.38487478  0.61518684
   0.37343515  0.38195814  0.75229685
   0.13908320  0.70130517  0.00213028
   0.40015866  0.58161569  0.34863412
   0.06041538  0.91010259  0.15578174
   0.34856917  0.83374946  0.24527320
   0.17236413  0.64994764  0.49239588
   0.36123596  0.64501911  0.85911977
   0.05902653  0.90561913  0.60735590
   0.31531185  1.01035350  0.69758721
   0.65342778  0.15455133  1.01291339
   0.84850463  0.12580416  0.35280615
   0.60378804  0.42396514  0.12142100
   0.87937529  0.33210400  0.17309733
   0.62370853  0.18377980  0.50110463
   0.89458161  0.11563790  0.86896955
   0.60104877  0.45287538  0.62161240
   0.76385991  0.37040958  0.80554328
   0.62371312  0.65985656 -0.01395028
   0.90754274  0.59042694  0.38752388
   0.58683494  0.90540169  0.12749193
   0.80782687  0.84849627  0.27057696
   0.63785424  0.62998153  0.45905906
   0.88778896  0.60021219  0.89010741
   0.60901926  0.92233965  0.63171110
   0.83917471  0.86215684  0.75746696
   0.08415206  0.07904512  0.15109760
   0.35927821  0.18778684  0.28783910
   0.12553045  0.31994470  0.02391402
   0.31458226  0.44645960  0.33577185
   0.51672713  0.38816852  0.21913597
   0.28664989  0.35290278  0.15442442
   0.24040229  0.07455777  0.44590631
   0.00029018  0.18180637  0.37928527
   0.01014705  0.03638744  0.53849191
   0.46223626  0.24230902  0.78317084
   0.10761435  0.28589269  0.52811005
   0.32922511  0.48299208  0.84110174
   0.44152341  0.45788722  0.66279872
   0.23560695  0.33182186  0.69799336
   0.30674466  0.23472999 -0.07803633
   0.05133866  0.16646060  0.87309024
   0.16249682  0.57284470  0.08533467
   0.40600361  0.67869722  0.25640716
   0.08000317  0.83947783  0.05099198
   0.38910189  0.91756798  0.33807477
   0.42816021  0.88392342  0.14538787
   0.18580257  0.84218750  0.22794958
   0.31087017  0.64435284  0.43011100
   0.04282248  0.64203777  0.42919610
   0.18268830  0.52418309  0.56705739
   0.30915978  0.73520849  0.76863516
   0.15456234  0.79574692  0.54633585
   0.35254349  1.00240289  0.81099384
   0.44031296  0.92028725  0.63843113
   0.16212864  0.96425042  0.69273656
   0.28782063  0.69975697 -0.04136702
   0.03193846  0.62822544  0.92958788
   0.62070594  0.06326256  0.11312372
   0.83691694  0.20461384  0.24762051
   0.61387265  0.31076990  0.04000087
   0.94974021  0.44687007  0.34921304
   0.02003986  0.39630259  0.18065166
   0.74720100  0.44420487  0.17661240
   0.72967297  0.18707491  0.41528472
   0.48215418  0.14138646  0.45173209
   0.65294682  0.06417005  0.58721645
   0.82045590  0.21176641  0.78663306
   0.62787734  0.32257717  0.56004433
   0.88305334  0.44440226  0.84899570
   0.98170315  0.43911212  0.65795468
   0.71333490  0.46227371  0.70732101
   0.80477544  0.13579006  0.96850389
   0.55715200  0.10346192  0.92571271
   0.55625027  0.56892992  0.06742762
   0.83521858  0.68811076  0.30615444
   0.62482410  0.81335474  0.02978275
   0.86030172  0.96266823  0.35541137
   0.90705423  0.88166531  0.18146857
   0.65835957  0.85821081  0.22663450
   0.78860353  0.56992278  0.46711187
   0.54758113  0.53222751  0.39350982
   0.59227218  0.60721347  0.56946696
   0.84225374  0.71330886  0.80931473
   0.63792623  0.78584733  0.42378689
   0.90122060  0.96162625  0.83997801
   0.92360214  0.85061556  0.65954040
   0.67744606  0.90228507  0.74053465
   0.78027775  0.59951182  0.97576306
   0.52129119  0.66386376  0.88709918
   0.67753833  0.81501103  0.57457125
   0.55981816  0.82544216  0.44947324
   0.89546591  0.24603667  0.08920812
   1.01682721  0.39040432  0.32340640
   0.31482860  0.14695839  0.64798374
   0.29494656  0.69021445  0.70516810
   0.02072259  1.13164095  0.19094346
   0.19954845  1.06167957  0.00674496
   0.64763019  0.37908952  0.86971628
   0.92420857  0.46299294  0.61241382
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933465    0.486138   -0.149091
    -0.000000    9.846746    0.117993
    -0.000000    0.000000   13.961012
   Si   O    H 
    32    64    10
Direct configuration=  1516
   0.15850086  0.19188840 -0.03894906
   0.37622366  0.07780750  0.37734453
   0.14273970  0.41608778  0.11056039
   0.37477514  0.34335516  0.25190833
   0.09457394  0.14175506  0.46835608
   0.41876996  0.13655239  0.86676920
   0.12381007  0.38649247  0.61592976
   0.37399734  0.38232986  0.75141133
   0.13993015  0.70078310  0.00273673
   0.40003855  0.58082524  0.34918478
   0.06132583  0.90988433  0.15559770
   0.34897992  0.83496168  0.24454174
   0.17229608  0.65080250  0.49204763
   0.36034052  0.64539324  0.85944586
   0.05955572  0.90505321  0.60749801
   0.31544663  1.01076125  0.69744936
   0.65411022  0.15419950  1.01313914
   0.84913555  0.12588957  0.35224644
   0.60375857  0.42479003  0.12097872
   0.87953807  0.33143283  0.17241535
   0.62324640  0.18427019  0.50097248
   0.89344335  0.11578335  0.86892285
   0.60125613  0.45243763  0.62062865
   0.76185574  0.37114862  0.80457725
   0.62312808  0.65921049 -0.01472752
   0.90652833  0.59068424  0.38738612
   0.58739920  0.90538768  0.12806840
   0.80724261  0.84782086  0.27005040
   0.63842050  0.63106386  0.45897133
   0.88668214  0.60029646  0.89088856
   0.60929096  0.92208810  0.63215756
   0.83962735  0.86159531  0.75781690
   0.08375005  0.07706662  0.15239635
   0.35945564  0.18795208  0.28731125
   0.12601229  0.32192532  0.02421134
   0.31507380  0.44615318  0.33642539
   0.51889688  0.39081011  0.21819431
   0.28719443  0.35328574  0.15490516
   0.24158399  0.07341856  0.44618466
   0.00167169  0.18089861  0.37976518
   0.01027784  0.03738822  0.53811262
   0.46219044  0.24381977  0.78268034
   0.10792984  0.28513298  0.52865395
   0.32887918  0.48307427  0.84013911
   0.44097617  0.45800052  0.66239554
   0.23797213  0.32951838  0.69779078
   0.30516073  0.23551462 -0.07960748
   0.05080563  0.16665805  0.87312005
   0.16241689  0.57377812  0.08507351
   0.40497308  0.67901199  0.25520307
   0.07992111  0.84016553  0.05099265
   0.38853105  0.91926508  0.33815249
   0.42858255  0.88479354  0.14630417
   0.18717655  0.84151405  0.22751382
   0.31223202  0.64445060  0.43050676
   0.04112145  0.64189274  0.42866802
   0.18430333  0.52475196  0.56733796
   0.30625514  0.73328982  0.76764228
   0.15502441  0.79665286  0.54490691
   0.35208857  1.00437618  0.81138341
   0.44031573  0.92125825  0.63600847
   0.16450046  0.96637939  0.69140649
   0.28888127  0.69966455 -0.04296410
   0.03015372  0.62909298  0.92990371
   0.61948634  0.06227476  0.11317132
   0.83592386  0.20337731  0.24857327
   0.61554282  0.31110179  0.04026232
   0.94916671  0.44660975  0.34831594
   0.01768220  0.39552711  0.18106787
   0.74855173  0.44589850  0.17648671
   0.73021195  0.18825902  0.41479024
   0.48077509  0.14184811  0.45106553
   0.65330396  0.06378106  0.58923866
   0.82061128  0.21230415  0.78588928
   0.62786233  0.32130950  0.55931781
   0.88508837  0.44401495  0.84805235
   0.98422343  0.43887954  0.65844340
   0.71447074  0.46134129  0.70422362
   0.80385739  0.13511055  0.96872671
   0.56000785  0.10426916  0.92638526
   0.55578372  0.56892868  0.06810703
   0.83761116  0.68683519  0.30636603
   0.62535705  0.81349559  0.02973754
   0.86047646  0.96200737  0.35454339
   0.90492480  0.88272376  0.18230246
   0.65958631  0.85730133  0.22631601
   0.78900316  0.57360119  0.46796867
   0.54698701  0.53385030  0.39326779
   0.59183711  0.60784275  0.56833406
   0.84170285  0.71066048  0.80984793
   0.63768015  0.78624557  0.42233148
   0.90124189  0.96130757  0.83814939
   0.92351865  0.84992815  0.66073950
   0.67568089  0.90054095  0.74028341
   0.77775203  0.60016254  0.97544136
   0.52022767  0.66281885  0.88703885
   0.67226326  0.82163499  0.57238368
   0.55474808  0.83013686  0.45262899
   0.89733182  0.24584730  0.09013478
   1.02044516  0.38649886  0.32131053
   0.31506395  0.14513224  0.65136620
   0.29439989  0.68828605  0.70762131
   0.02277257  1.12684856  0.19144000
   0.20365077  1.06176523  0.00423233
   0.64677545  0.37506234  0.87153262
   0.92070453  0.46633946  0.60428240
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934590    0.482941   -0.150800
    -0.000000    9.845733    0.118239
    -0.000000    0.000000   13.961900
   Si   O    H 
    32    64    10
Direct configuration=  1517
   0.15912113  0.19195488 -0.03835896
   0.37577142  0.07682402  0.37682873
   0.14376320  0.41525864  0.10881738
   0.37467373  0.34389334  0.25306065
   0.09489268  0.14118255  0.46804056
   0.41924112  0.13577725  0.86651815
   0.12394299  0.38833831  0.61658216
   0.37483429  0.38218516  0.75010030
   0.14041786  0.69981085  0.00313637
   0.39955269  0.57967401  0.34947865
   0.06277925  0.90980659  0.15526153
   0.35018856  0.83609205  0.24316584
   0.17258957  0.65136776  0.49226616
   0.35948882  0.64568380  0.85984922
   0.06034610  0.90516332  0.60764359
   0.31614906  1.01115701  0.69742946
   0.65495056  0.15378668  1.01356235
   0.84959962  0.12602559  0.35155498
   0.60349067  0.42590801  0.12070067
   0.87962034  0.33010428  0.17204143
   0.62200521  0.18388734  0.50056234
   0.89309424  0.11609360  0.86878544
   0.60057657  0.45234976  0.61973382
   0.76026772  0.37171764  0.80318932
   0.62288173  0.65831034 -0.01535171
   0.90552038  0.59048293  0.38703179
   0.58805026  0.90533096  0.12787750
   0.80672255  0.84723051  0.26982672
   0.63840480  0.63152076  0.45868583
   0.88594431  0.60022757  0.89155578
   0.60974795  0.92147513  0.63286426
   0.83966682  0.86091428  0.75781703
   0.08288955  0.07504091  0.15333208
   0.35978934  0.18745752  0.28702897
   0.12519309  0.32310902  0.02388557
   0.31540652  0.44495963  0.33635322
   0.52185468  0.39345802  0.21710671
   0.28649941  0.35413328  0.15536081
   0.24179030  0.07319093  0.44673240
   0.00192358  0.17990973  0.37990251
   0.01117508  0.03844886  0.53765199
   0.46081013  0.24509041  0.78190181
   0.10790629  0.28459096  0.52899258
   0.32963214  0.48301101  0.83929065
   0.44174239  0.45742188  0.66219167
   0.23963006  0.32711881  0.69758970
   0.30374346  0.23576711 -0.08105137
   0.05031852  0.16634460  0.87281523
   0.16208889  0.57496574  0.08502572
   0.40375786  0.67898687  0.25432129
   0.08061527  0.84085170  0.05042328
   0.38871755  0.92078077  0.33812138
   0.42861229  0.88507129  0.14715909
   0.18873458  0.84099400  0.22696965
   0.31281663  0.64556685  0.43195067
   0.03921407  0.64219428  0.42777344
   0.18624300  0.52573170  0.56839762
   0.30259100  0.73120407  0.76599444
   0.15545941  0.79754092  0.54358887
   0.35303665  1.00647898  0.81200186
   0.43986811  0.92276739  0.63427284
   0.16548780  0.96810886  0.69000487
   0.28994128  0.69940024 -0.04505195
   0.02825025  0.63094971  0.93078824
   0.61836035  0.06077791  0.11255659
   0.83531240  0.20272203  0.24883321
   0.61709057  0.31157598  0.04005515
   0.94871677  0.44656811  0.34760883
   0.01655341  0.39431052  0.18175747
   0.75069509  0.44690673  0.17551089
   0.73124142  0.18872209  0.41437464
   0.48022894  0.14253284  0.45077011
   0.65366740  0.06369975  0.59073607
   0.82019945  0.21311604  0.78502244
   0.62783230  0.32057445  0.55839863
   0.88634241  0.44484230  0.84771701
   0.98677214  0.43823395  0.65886837
   0.71503585  0.46060050  0.70170077
   0.80263129  0.13452040  0.96883823
   0.56274302  0.10519764  0.92626248
   0.55504421  0.56936474  0.06842484
   0.83886581  0.68653646  0.30619008
   0.62649519  0.81404321  0.02977999
   0.86071552  0.96121186  0.35340282
   0.90373001  0.88338413  0.18311743
   0.66050106  0.85539477  0.22650230
   0.79018335  0.57662624  0.46851421
   0.54670215  0.53493351  0.39298702
   0.59151486  0.60772847  0.56804080
   0.84064870  0.70847592  0.81030380
   0.63657731  0.78771046  0.42112928
   0.90130419  0.95995011  0.83674793
   0.92397041  0.84896902  0.66199403
   0.67400062  0.89923216  0.73974172
   0.77589219  0.60096047  0.97537387
   0.51910222  0.66186112  0.88738989
   0.66516804  0.82521774  0.56948671
   0.55431778  0.83459148  0.45390719
   0.89822738  0.24558909  0.08938382
   1.02510688  0.38492860  0.31951139
   0.31514611  0.14496399  0.65219945
   0.29474342  0.68663684  0.71032809
   0.01997417  1.13004146  0.19579949
   0.20583181  1.06291292  0.00179291
   0.64258850  0.36971752  0.87184489
   0.91837446  0.47048406  0.60029394
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935519    0.479124   -0.152514
    -0.000000    9.844688    0.118602
    -0.000000    0.000000   13.962981
   Si   O    H 
    32    64    10
Direct configuration=  1518
   0.15975495  0.19200062 -0.03805299
   0.37499904  0.07606500  0.37656633
   0.14512436  0.41519237  0.10773638
   0.37508236  0.34445889  0.25376918
   0.09567792  0.14070607  0.46841333
   0.41933248  0.13492337  0.86670170
   0.12434949  0.39022774  0.61652364
   0.37586780  0.38219848  0.74834817
   0.14079647  0.69852023  0.00319784
   0.39885966  0.57928964  0.34954354
   0.06368499  0.91015186  0.15508194
   0.35168708  0.83765321  0.24234448
   0.17338571  0.65133185  0.49253405
   0.35975529  0.64601998  0.86027880
   0.06108873  0.90540468  0.60790972
   0.31748843  1.01184452  0.69703683
   0.65550270  0.15247257  1.01393760
   0.85030739  0.12595694  0.35130618
   0.60358360  0.42733602  0.12046785
   0.87946315  0.32871723  0.17213073
   0.62053290  0.18310978  0.50030560
   0.89266856  0.11659483  0.86847592
   0.59900830  0.45285617  0.61919538
   0.75895858  0.37257759  0.80197384
   0.62253249  0.65772297 -0.01597837
   0.90475043  0.58984837  0.38672320
   0.58788608  0.90457609  0.12708268
   0.80757351  0.84643810  0.27015621
   0.63839316  0.63165974  0.45792646
   0.88587347  0.59994304  0.89195719
   0.60970641  0.92027946  0.63346564
   0.84003039  0.86007661  0.75834093
   0.08189205  0.07371481  0.15406752
   0.35939793  0.18670726  0.28652773
   0.12360556  0.32432929  0.02285521
   0.31594346  0.44376182  0.33635918
   0.52504699  0.39550274  0.21669709
   0.28489559  0.35530860  0.15531155
   0.24220150  0.07286370  0.44687403
   0.00173405  0.17934387  0.38037894
   0.01213651  0.03887529  0.53735787
   0.45975719  0.24563084  0.78086554
   0.10878344  0.28415322  0.52993182
   0.33083152  0.48273777  0.83873305
   0.44321121  0.45735757  0.66155093
   0.24063440  0.32538001  0.69727420
   0.30265144  0.23686990 -0.08190111
   0.05000032  0.16597652  0.87218138
   0.16159299  0.57621950  0.08505205
   0.40256012  0.67805184  0.25325239
   0.08126621  0.84114441  0.04963823
   0.38867866  0.92214000  0.33795865
   0.42866533  0.88459561  0.14749043
   0.18945914  0.84015420  0.22642706
   0.31245837  0.64665440  0.43289956
   0.03743354  0.64225936  0.42665930
   0.18921138  0.52671922  0.56904624
   0.30010257  0.72977159  0.76476937
   0.15544229  0.79855021  0.54243910
   0.35275129  1.00842393  0.81273415
   0.43886331  0.92485693  0.63269007
   0.16585077  0.96886009  0.68819776
   0.29116272  0.69913581 -0.04696216
   0.02752728  0.63274404  0.93141794
   0.61716241  0.06046982  0.11217070
   0.83576615  0.20269967  0.24862776
   0.61813115  0.31201226  0.03965712
   0.94851641  0.44588256  0.34787804
   0.01628744  0.39345515  0.18201716
   0.75234344  0.44780170  0.17401957
   0.73211233  0.18935702  0.41452266
   0.48018895  0.14336050  0.45092850
   0.65448340  0.06528037  0.59215999
   0.82025192  0.21416097  0.78385956
   0.62802768  0.32033858  0.55772154
   0.88789550  0.44685802  0.84729545
   0.98851176  0.43849230  0.65884286
   0.71597552  0.45955027  0.69991889
   0.80277381  0.13366179  0.96848440
   0.56409585  0.10519835  0.92688520
   0.55422586  0.56971331  0.06830081
   0.83991108  0.68706930  0.30582967
   0.62823486  0.81442540  0.02985876
   0.86011568  0.95968816  0.35204216
   0.90295830  0.88421215  0.18342065
   0.66143717  0.85454188  0.22681226
   0.79172779  0.57939805  0.46923640
   0.54618290  0.53584975  0.39198973
   0.59072030  0.60709224  0.56766375
   0.83923819  0.70724156  0.81052280
   0.63459756  0.78879555  0.42034493
   0.90077184  0.95801494  0.83479857
   0.92559527  0.84813941  0.66254414
   0.67238764  0.89918680  0.73964010
   0.77384933  0.60222373  0.97592839
   0.51886438  0.66092563  0.88767620
   0.66151777  0.82492925  0.56775944
   0.56207011  0.83282024  0.45129162
   0.89487012  0.24506892  0.08553847
   1.02537245  0.38933108  0.32385321
   0.31561097  0.14458522  0.65225278
   0.29200689  0.67993625  0.70408962
   0.02511185  1.13003051  0.19761470
   0.20452639  1.05961032 -0.00053045
   0.64226132  0.36590940  0.87027337
   0.92321375  0.47292637  0.60634972
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936594    0.475255   -0.154044
    -0.000000    9.844237    0.119217
    -0.000000    0.000000   13.963588
   Si   O    H 
    32    64    10
Direct configuration=  1519
   0.16027244  0.19158838 -0.03796091
   0.37409993  0.07537976  0.37612217
   0.14658913  0.41631662  0.10681305
   0.37557685  0.34550511  0.25420154
   0.09639374  0.14058293  0.46897533
   0.41957819  0.13437034  0.86700079
   0.12542880  0.39155018  0.61623713
   0.37703533  0.38245196  0.74685710
   0.14078906  0.69696854  0.00354753
   0.39815746  0.57920289  0.34956035
   0.06495862  0.91030721  0.15494543
   0.35334403  0.83956635  0.24147075
   0.17410764  0.65136740  0.49282004
   0.36025072  0.64639552  0.86061950
   0.06107465  0.90500628  0.60756096
   0.31886040  1.01215550  0.69663416
   0.65551887  0.15113251  1.01432609
   0.85099834  0.12685793  0.35102357
   0.60375786  0.42945175  0.12026979
   0.87847656  0.32773231  0.17195280
   0.61996452  0.18175987  0.49997949
   0.89266067  0.11712333  0.86847463
   0.59749824  0.45387572  0.61851213
   0.75814517  0.37361685  0.80101715
   0.62215373  0.65780936 -0.01681220
   0.90447859  0.58861835  0.38641587
   0.58724958  0.90376054  0.12627159
   0.80886895  0.84544656  0.27090414
   0.63839807  0.63135012  0.45720919
   0.88577682  0.59973563  0.89249581
   0.60949225  0.91951612  0.63394611
   0.84013201  0.85892520  0.75874113
   0.08155608  0.07217036  0.15446174
   0.35966595  0.18519022  0.28621473
   0.12190326  0.32461174  0.02166033
   0.31683679  0.44233825  0.33603820
   0.52738240  0.39746608  0.21688327
   0.28325455  0.35637316  0.15563047
   0.24256153  0.07227302  0.44666941
   0.00036591  0.17908914  0.38069884
   0.01226223  0.03943508  0.53714342
   0.45908147  0.24655779  0.77941709
   0.10988719  0.28302348  0.53012942
   0.33208721  0.48180964  0.83826423
   0.44492647  0.45816496  0.66089793
   0.24045931  0.32426840  0.69666529
   0.30243715  0.23783216 -0.08268214
   0.04866023  0.16606731  0.87156102
   0.16071886  0.57800077  0.08444272
   0.40188962  0.67718995  0.25283871
   0.08148387  0.84155340  0.04876366
   0.38863609  0.92308951  0.33766845
   0.42904138  0.88449538  0.14764399
   0.18898054  0.83939238  0.22571174
   0.31177031  0.64861339  0.43415978
   0.03772977  0.64239227  0.42627729
   0.19230673  0.52751851  0.56956981
   0.29777783  0.72739225  0.76407299
   0.15440448  0.79953218  0.54191822
   0.35234833  1.00959844  0.81393139
   0.43838040  0.92581594  0.63158528
   0.16522476  0.96872171  0.68624738
   0.29099527  0.69896481 -0.04829026
   0.02761799  0.63450686  0.93210463
   0.61638773  0.06086524  0.11186338
   0.83659905  0.20273573  0.24783443
   0.61908289  0.31266992  0.03910689
   0.94779786  0.44406153  0.34892588
   0.01699275  0.39276592  0.18221023
   0.75511284  0.44856243  0.17206391
   0.73268097  0.19017155  0.41496532
   0.47944780  0.14395319  0.45110658
   0.65495166  0.06702618  0.59291529
   0.82095250  0.21542395  0.78284983
   0.62846372  0.32025649  0.55661834
   0.88959672  0.44929072  0.84731150
   0.98896268  0.43869161  0.65818611
   0.71753653  0.45854785  0.69845790
   0.80314475  0.13245355  0.96847475
   0.56484902  0.10507339  0.92667936
   0.55384601  0.56978795  0.06896526
   0.84109170  0.68726363  0.30501951
   0.62978041  0.81567222  0.03004859
   0.85928496  0.95814101  0.35024386
   0.90265275  0.88550362  0.18335809
   0.66184526  0.85424760  0.22703869
   0.79306263  0.58158426  0.46954759
   0.54561525  0.53737877  0.39103097
   0.59009265  0.60580587  0.56755199
   0.83775137  0.70700699  0.81030088
   0.63332610  0.78903426  0.41905615
   0.90008001  0.95616645  0.83313346
   0.92722033  0.84776823  0.66251230
   0.67161916  0.89926467  0.73936850
   0.77284014  0.60395779  0.97682800
   0.51940053  0.65914247  0.88785043
   0.65870570  0.82119181  0.56307904
   0.56118303  0.83558700  0.44959118
   0.89361872  0.24649204  0.08259774
   1.02655535  0.39770697  0.32868797
   0.31566444  0.14653914  0.65283729
   0.29005811  0.67902637  0.70277923
   0.03484140  1.13296370  0.19582180
   0.20596128  1.05500905 -0.00332155
   0.64564518  0.36639931  0.86660410
   0.93179769  0.47221212  0.61708261
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937913    0.471410   -0.155410
    -0.000000    9.843248    0.119468
    -0.000000    0.000000   13.963939
   Si   O    H 
    32    64    10
Direct configuration=  1520
   0.16088470  0.19056363 -0.03795077
   0.37353043  0.07562027  0.37613409
   0.14784562  0.41807505  0.10662460
   0.37638212  0.34638163  0.25429633
   0.09750359  0.14116880  0.47037334
   0.41986421  0.13492829  0.86764277
   0.12652871  0.39245016  0.61590877
   0.37767836  0.38254505  0.74559080
   0.14198660  0.69569171  0.00427786
   0.39787008  0.57922909  0.34991250
   0.06599527  0.91026173  0.15477652
   0.35464724  0.84086545  0.24110770
   0.17515230  0.65083216  0.49303062
   0.36016393  0.64608835  0.86050246
   0.06080006  0.90545753  0.60738108
   0.32059911  1.01208210  0.69585014
   0.65532133  0.14944665  1.01445730
   0.85165043  0.12779754  0.35097499
   0.60412520  0.43105252  0.12010181
   0.87669056  0.32647822  0.17178298
   0.62002232  0.17952169  0.50004267
   0.89294962  0.11702319  0.86791193
   0.59630582  0.45495418  0.61757613
   0.75786395  0.37447303  0.80013358
   0.62126813  0.65757482 -0.01755840
   0.90406607  0.58745042  0.38646172
   0.58657722  0.90299995  0.12575712
   0.80964362  0.84465960  0.27141562
   0.63820242  0.63074929  0.45675583
   0.88597426  0.59987571  0.89329906
   0.60970494  0.91907059  0.63431964
   0.84023444  0.85820583  0.75882192
   0.08190864  0.07069060  0.15374412
   0.36072038  0.18409276  0.28590909
   0.11952452  0.32469025  0.01980167
   0.31772861  0.44052989  0.33580814
   0.52836897  0.39987400  0.21748880
   0.28122494  0.35739467  0.15598882
   0.24301842  0.07098996  0.44613365
  -0.00079016  0.17874568  0.38044111
   0.01227669  0.03868333  0.53702056
   0.45976354  0.24678968  0.77795489
   0.11133884  0.28163244  0.53017347
   0.33364554  0.48092738  0.83787372
   0.44576089  0.45913867  0.66077259
   0.23971826  0.32447811  0.69574848
   0.30272649  0.23843370 -0.08355409
   0.04774626  0.16586109  0.87167853
   0.16039596  0.57987906  0.08426235
   0.40172034  0.67614864  0.25230570
   0.08223535  0.84211903  0.04807459
   0.38915722  0.92326269  0.33810538
   0.42906427  0.88489408  0.14717075
   0.18946365  0.83837353  0.22503396
   0.31123055  0.65059414  0.43543210
   0.03845384  0.64250545  0.42607583
   0.19577964  0.52776888  0.56970382
   0.29520985  0.72558255  0.76408733
   0.15288280  0.80095622  0.54174400
   0.35189880  1.00984495  0.81466053
   0.43807076  0.92717001  0.63067484
   0.16409117  0.96752632  0.68394324
   0.28969568  0.69985913 -0.04865554
   0.02886232  0.63626292  0.93264864
   0.61643935  0.06144533  0.11142276
   0.83746744  0.20246674  0.24662607
   0.61968830  0.31293358  0.03829573
   0.94728488  0.44190529  0.35013929
   0.01862895  0.39304497  0.18202472
   0.75779356  0.44941880  0.16997908
   0.73247325  0.19039336  0.41516358
   0.47935539  0.14461345  0.45147351
   0.65459533  0.06928525  0.59291806
   0.82135568  0.21570030  0.78180927
   0.62866865  0.32054070  0.55576268
   0.89055519  0.45164356  0.84773143
   0.99086420  0.43788310  0.65834795
   0.71932959  0.45747193  0.69701490
   0.80435120  0.13073706  0.96902635
   0.56405464  0.10470686  0.92623988
   0.55403930  0.56920133  0.06970197
   0.84228647  0.68784381  0.30360990
   0.63083851  0.81560609  0.03071304
   0.85809850  0.95701243  0.34888012
   0.90434401  0.88664087  0.18233963
   0.66232401  0.85327780  0.22650000
   0.79381224  0.58370202  0.46951118
   0.54537457  0.53824421  0.38997191
   0.58940697  0.60408673  0.56728959
   0.83596950  0.70758237  0.80953269
   0.63258065  0.78952613  0.41793798
   0.89931462  0.95499807  0.83186010
   0.92916676  0.84710088  0.66252280
   0.67168729  0.89871459  0.73911040
   0.77273371  0.60534896  0.97721893
   0.51968418  0.65714421  0.88821026
   0.65653808  0.81794366  0.55879802
   0.55538808  0.84129537  0.44974276
   0.89096643  0.24746104  0.08245832
   1.03320188  0.40319586  0.33101184
   0.31473425  0.15136320  0.65394114
   0.29038619  0.68022219  0.70305390
   0.04008706  1.14386542  0.19535017
   0.20540734  1.05157279 -0.00262742
   0.65037951  0.36854963  0.86161442
   0.91688047  0.48225322  0.61549953
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939064    0.467972   -0.156625
    -0.000000    9.841862    0.119789
    -0.000000    0.000000   13.964534
   Si   O    H 
    32    64    10
Direct configuration=  1521
   0.16128815  0.18958789 -0.03804359
   0.37355245  0.07610912  0.37590301
   0.14896918  0.42021894  0.10639234
   0.37736713  0.34659288  0.25398255
   0.09868098  0.14182236  0.47154323
   0.42036120  0.13552087  0.86796952
   0.12820419  0.39337119  0.61547594
   0.37775196  0.38273889  0.74473777
   0.14252787  0.69435429  0.00443977
   0.39752043  0.57950789  0.35018811
   0.06701880  0.91003517  0.15423868
   0.35545762  0.84186257  0.24133005
   0.17576628  0.65065380  0.49322852
   0.35994443  0.64567806  0.86046356
   0.06029906  0.90607200  0.60751177
   0.32277674  1.01171013  0.69496994
   0.65515240  0.14762724  1.01427210
   0.85233515  0.12865587  0.35073564
   0.60487584  0.43205173  0.12036299
   0.87500584  0.32502982  0.17187611
   0.62042923  0.17756170  0.50064517
   0.89279501  0.11733429  0.86749793
   0.59574740  0.45649986  0.61647380
   0.75753541  0.37490590  0.79929199
   0.61984278  0.65762960 -0.01774113
   0.90363314  0.58664801  0.38629447
   0.58631222  0.90213137  0.12522484
   0.81068021  0.84362485  0.27167205
   0.63773688  0.63025545  0.45647055
   0.88603229  0.59994613  0.89411997
   0.60998042  0.91821659  0.63443967
   0.83979836  0.85655345  0.75879364
   0.08230902  0.06997497  0.15286524
   0.36142680  0.18422020  0.28576800
   0.11758088  0.32485259  0.01808910
   0.31868983  0.43900759  0.33582494
   0.52891966  0.40178066  0.21803449
   0.28006723  0.35905480  0.15669713
   0.24269947  0.06965180  0.44554153
  -0.00148672  0.17861530  0.38025418
   0.01195951  0.03756831  0.53676555
   0.46150464  0.24645490  0.77644122
   0.11237978  0.28110982  0.53078075
   0.33599713  0.48042181  0.83775750
   0.44713793  0.46107930  0.66103769
   0.23813470  0.32517907  0.69537051
   0.30227977  0.23911508 -0.08411170
   0.04659549  0.16499500  0.87190133
   0.15989537  0.58136621  0.08439855
   0.40094602  0.67541756  0.25187072
   0.08291515  0.84304090  0.04790448
   0.38893079  0.92319412  0.33802249
   0.42901895  0.88521005  0.14652479
   0.18973562  0.83797472  0.22398938
   0.31116671  0.65289650  0.43657516
   0.03987912  0.64263435  0.42651040
   0.19864346  0.52806656  0.56997396
   0.29330433  0.72421054  0.76460708
   0.15056466  0.80201213  0.54143950
   0.35152715  1.00954122  0.81577386
   0.43773178  0.92708138  0.62977836
   0.16279864  0.96581262  0.68221891
   0.28781626  0.70102342 -0.04831627
   0.02974390  0.63767552  0.93319549
   0.61638284  0.06280342  0.11052722
   0.83815939  0.20252257  0.24543393
   0.61928213  0.31327224  0.03722585
   0.94684960  0.43916156  0.35074411
   0.02104581  0.39369969  0.18156023
   0.76056080  0.45055503  0.16774355
   0.73249958  0.19103699  0.41564467
   0.47888444  0.14500961  0.45170744
   0.65406776  0.07120403  0.59226881
   0.82091027  0.21632571  0.78064241
   0.62807562  0.32118261  0.55515111
   0.89042081  0.45287400  0.84808545
   0.99209498  0.43722351  0.65816433
   0.72071538  0.45584804  0.69576914
   0.80560118  0.12939720  0.96866200
   0.56269087  0.10378764  0.92529512
   0.55404724  0.56882282  0.07027118
   0.84269687  0.68924811  0.30219725
   0.63110589  0.81547921  0.03110613
   0.85679962  0.95643779  0.34736491
   0.90637010  0.88670561  0.18154383
   0.66222965  0.85281868  0.22622985
   0.79461614  0.58571008  0.46911007
   0.54514312  0.53922492  0.38924384
   0.58858740  0.60330318  0.56644892
   0.83397651  0.70813768  0.80858027
   0.63205995  0.79035801  0.41710543
   0.89837582  0.95563567  0.83077696
   0.92999653  0.84716109  0.66251040
   0.67197664  0.89865878  0.73913029
   0.77198956  0.60646220  0.97765319
   0.52058431  0.65656721  0.88914166
   0.65138418  0.81589657  0.55921347
   0.55632483  0.84230903  0.44752352
   0.88867299  0.24965680  0.08457608
   1.03798211  0.40878954  0.33293317
   0.31727223  0.15156589  0.65540526
   0.29013398  0.67857916  0.70359407
   0.04506228  1.14885201  0.19274826
   0.20406057  1.04850723 -0.00056339
   0.65088891  0.36937280  0.85609676
   0.91183182  0.48869723  0.61701736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940191    0.464115   -0.157330
    -0.000000    9.841117    0.120280
    -0.000000    0.000000   13.965036
   Si   O    H 
    32    64    10
Direct configuration=  1522
   0.16202596  0.18758524 -0.03830769
   0.37353839  0.07606907  0.37552994
   0.15006245  0.42244647  0.10616142
   0.37812924  0.34593179  0.25340918
   0.10000334  0.14214182  0.47291167
   0.42017666  0.13638054  0.86781800
   0.13015226  0.39443721  0.61519281
   0.37730221  0.38264752  0.74379327
   0.14355927  0.69320278  0.00452107
   0.39631792  0.57978213  0.35056526
   0.06732836  0.90963580  0.15362317
   0.35608605  0.84277843  0.24153098
   0.17606424  0.65118732  0.49325515
   0.35979388  0.64439951  0.86024426
   0.05942631  0.90696930  0.60730594
   0.32459439  1.01166747  0.69412736
   0.65502407  0.14573412  1.01399385
   0.85259847  0.12943158  0.35065875
   0.60603852  0.43284162  0.12013220
   0.87347959  0.32390344  0.17186033
   0.62042596  0.17506402  0.50137271
   0.89266542  0.11771434  0.86747380
   0.59597812  0.45787221  0.61581970
   0.75743601  0.37535081  0.79782691
   0.61847199  0.65785065 -0.01780426
   0.90331225  0.58633942  0.38604597
   0.58614141  0.90094268  0.12448106
   0.81159997  0.84322929  0.27142213
   0.63748761  0.63065528  0.45635392
   0.88568462  0.59988837  0.89444998
   0.61059548  0.91735722  0.63405847
   0.83894511  0.85452899  0.75876226
   0.08242316  0.06948937  0.15231108
   0.36204112  0.18480142  0.28524972
   0.11531685  0.32488888  0.01658644
   0.31897853  0.43764603  0.33625502
   0.52873080  0.40306855  0.21889886
   0.27991974  0.35983418  0.15784121
   0.24220218  0.06925216  0.44497843
  -0.00163693  0.17769574  0.38040427
   0.01092238  0.03583735  0.53610332
   0.46412055  0.24620202  0.77505425
   0.11354674  0.28028749  0.53082223
   0.33781532  0.47986338  0.83709915
   0.44865108  0.46294063  0.66146985
   0.23629313  0.32580176  0.69436596
   0.30175865  0.23912078 -0.08431664
   0.04551254  0.16391243  0.87177200
   0.15924093  0.58165499  0.08495124
   0.40064481  0.67448982  0.25153282
   0.08325901  0.84347478  0.04748842
   0.38872195  0.92276246  0.33740921
   0.42904249  0.88606881  0.14588801
   0.18981268  0.83809864  0.22319825
   0.31191650  0.65469047  0.43779800
   0.04126046  0.64319035  0.42736582
   0.20045059  0.52757540  0.57074718
   0.29125852  0.72285103  0.76532743
   0.14833062  0.80384811  0.54154824
   0.35126069  1.00962597  0.81686049
   0.43725404  0.92770925  0.62901949
   0.16241752  0.96450922  0.68080000
   0.28606782  0.70215417 -0.04717292
   0.03140881  0.63919425  0.93368648
   0.61665777  0.06449485  0.10976789
   0.83872800  0.20226117  0.24380312
   0.61857048  0.31282717  0.03605677
   0.94679026  0.43659062  0.35162796
   0.02297323  0.39470173  0.18084100
   0.76266497  0.45095413  0.16577060
   0.73246373  0.19140950  0.41620922
   0.47761177  0.14521994  0.45177626
   0.65435764  0.07239731  0.59115438
   0.82023085  0.21718202  0.77964137
   0.62694351  0.32195265  0.55406799
   0.88999160  0.45444980  0.84808768
   0.99198026  0.43717025  0.65749160
   0.72191776  0.45458234  0.69486765
   0.80690613  0.12816907  0.96807556
   0.56072591  0.10313597  0.92461311
   0.55431321  0.56849489  0.07021384
   0.84376521  0.68924140  0.30111076
   0.63072201  0.81526496  0.03145118
   0.85483275  0.95640787  0.34670992
   0.90916475  0.88640782  0.18117816
   0.66266774  0.85265914  0.22590242
   0.79480898  0.58645690  0.46842469
   0.54510515  0.54025597  0.38890084
   0.58753544  0.60258221  0.56554482
   0.83156466  0.70811938  0.80770999
   0.63110842  0.79073208  0.41663874
   0.89790753  0.95675047  0.82983630
   0.93113052  0.84767313  0.66218889
   0.67276963  0.89754219  0.73958959
   0.77181959  0.60636152  0.97849384
   0.52174457  0.65602391  0.88954976
   0.64221311  0.81971850  0.56394028
   0.55936424  0.84046846  0.44399597
   0.88413353  0.25329746  0.08548057
   1.03952438  0.41639142  0.33328796
   0.31981182  0.14962244  0.65724360
   0.28971042  0.67395183  0.70519165
   0.04760166  1.14650698  0.18575349
   0.20322210  1.04638926  0.00074627
   0.64267028  0.37024318  0.85680542
   0.91579537  0.48755229  0.62325663
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941099    0.460666   -0.158659
    -0.000000    9.840153    0.120750
    -0.000000    0.000000   13.965885
   Si   O    H 
    32    64    10
Direct configuration=  1523
   0.16281532  0.18581266 -0.03945105
   0.37291090  0.07633676  0.37518441
   0.15068891  0.42390667  0.10582573
   0.37860587  0.34470584  0.25280813
   0.10150923  0.14156152  0.47409405
   0.42015849  0.13792365  0.86748162
   0.13202474  0.39566535  0.61429883
   0.37675130  0.38247570  0.74292232
   0.14474935  0.69216540  0.00466417
   0.39526841  0.58048286  0.35094796
   0.06701119  0.90956071  0.15341210
   0.35592930  0.84265887  0.24190363
   0.17623317  0.65226418  0.49318990
   0.36006794  0.64299172  0.85990868
   0.05840694  0.90812827  0.60687835
   0.32606451  1.01135803  0.69344118
   0.65516443  0.14459837  1.01385674
   0.85255688  0.13050092  0.35050158
   0.60701957  0.43372604  0.11961847
   0.87194824  0.32294587  0.17193593
   0.62044474  0.17263361  0.50211528
   0.89253327  0.11806486  0.86706039
   0.59681506  0.45936550  0.61534078
   0.75752324  0.37539479  0.79652363
   0.61733586  0.65837909 -0.01745646
   0.90314850  0.58622183  0.38597827
   0.58601545  0.90006501  0.12401346
   0.81221899  0.84267390  0.27140342
   0.63778657  0.63099368  0.45645471
   0.88510905  0.59995947  0.89445403
   0.61089442  0.91664662  0.63356992
   0.83821243  0.85264575  0.75862394
   0.08409219  0.06970048  0.15160064
   0.36237347  0.18536785  0.28428048
   0.11201855  0.32443796  0.01471128
   0.31994108  0.43654782  0.33677225
   0.52728758  0.40319390  0.21965898
   0.28037355  0.36018761  0.15977050
   0.24114592  0.06913598  0.44477985
  -0.00110802  0.17668674  0.38083052
   0.01016590  0.03425500  0.53542569
   0.46685235  0.24684837  0.77359068
   0.11454865  0.28028326  0.53105210
   0.34006436  0.48016211  0.83616044
   0.44982989  0.46467542  0.66176028
   0.23474965  0.32609390  0.69320393
   0.30093119  0.23908268 -0.08481598
   0.04471767  0.16321917  0.87176216
   0.15791968  0.58143440  0.08593278
   0.40073850  0.67359169  0.25183971
   0.08348092  0.84302663  0.04704353
   0.38875320  0.92246832  0.33775562
   0.42885892  0.88753302  0.14507866
   0.18977193  0.83898784  0.22245329
   0.31348624  0.65683440  0.43823420
   0.04279055  0.64323256  0.42843744
   0.20122305  0.52762854  0.57114484
   0.28989178  0.72160715  0.76622744
   0.14557991  0.80472337  0.54158726
   0.35151855  1.01048857  0.81780814
   0.43687460  0.92807779  0.62804153
   0.16345165  0.96390519  0.67990366
   0.28329105  0.70345844 -0.04616746
   0.03311109  0.63990864  0.93425629
   0.61662385  0.06514984  0.10889564
   0.83906613  0.20210192  0.24240794
   0.61719303  0.31262305  0.03512280
   0.94685999  0.43405242  0.35267416
   0.02494073  0.39561794  0.18063948
   0.76331666  0.45151158  0.16349468
   0.73202508  0.19147707  0.41645203
   0.47673837  0.14533151  0.45151181
   0.65450621  0.07249624  0.59034070
   0.82050823  0.21788326  0.77900228
   0.62624313  0.32236905  0.55342568
   0.88902159  0.45567586  0.84771274
   0.99112626  0.43739061  0.65646641
   0.72257276  0.45345487  0.69440852
   0.80855045  0.12697778  0.96753962
   0.55874149  0.10204785  0.92448139
   0.55330476  0.56804045  0.06971956
   0.84523624  0.68859440  0.30047997
   0.63126850  0.81449268  0.03180938
   0.85346352  0.95631055  0.34676780
   0.91185838  0.88580676  0.18109021
   0.66337174  0.85216063  0.22536735
   0.79518317  0.58678667  0.46801883
   0.54667720  0.54166931  0.38838447
   0.58629520  0.60259949  0.56437031
   0.82941121  0.70789034  0.80742123
   0.63030599  0.79096943  0.41678182
   0.89778713  0.95799204  0.82901642
   0.93248553  0.84811703  0.66165759
   0.67384671  0.89666359  0.73971044
   0.77280845  0.60545804  0.97850253
   0.52213668  0.65582341  0.88991613
   0.63765730  0.82035332  0.56714518
   0.55703401  0.84138632  0.44123315
   0.88322871  0.25586941  0.08300669
   1.04177103  0.41934599  0.33388701
   0.32331515  0.15005335  0.65920962
   0.28806892  0.66883123  0.70894661
   0.04978867  1.14903513  0.18108998
   0.20008294  1.04478416  0.00352245
   0.63378571  0.36712700  0.85749540
   0.92383383  0.48027513  0.63088534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942431    0.456632   -0.160234
    -0.000000    9.839335    0.121235
    -0.000000    0.000000   13.966850
   Si   O    H 
    32    64    10
Direct configuration=  1524
   0.16311159  0.18437350 -0.04055411
   0.37229807  0.07742257  0.37512801
   0.15092156  0.42545279  0.10564112
   0.37899315  0.34328093  0.25214315
   0.10202082  0.14135047  0.47533864
   0.42003886  0.14008224  0.86740633
   0.13451304  0.39636439  0.61333924
   0.37598786  0.38262885  0.74231733
   0.14490376  0.69192267  0.00501581
   0.39377919  0.58142097  0.35130309
   0.06661575  0.90919771  0.15291266
   0.35558831  0.84255090  0.24198867
   0.17638184  0.65325420  0.49300603
   0.36018327  0.64213208  0.85970136
   0.05804485  0.90909838  0.60660116
   0.32718285  1.01068669  0.69303562
   0.65530770  0.14442493  1.01364591
   0.85229798  0.13162719  0.35039541
   0.60827554  0.43380132  0.11927562
   0.87099400  0.32196150  0.17232724
   0.62100926  0.17067668  0.50257901
   0.89211605  0.11829320  0.86647768
   0.59709776  0.46078702  0.61490234
   0.75761330  0.37524227  0.79558371
   0.61615803  0.65928842 -0.01679030
   0.90306263  0.58668438  0.38563408
   0.58608868  0.89933056  0.12338873
   0.81289441  0.84295187  0.27061134
   0.63799257  0.63136629  0.45661302
   0.88447818  0.60073506  0.89448449
   0.61060116  0.91699243  0.63318913
   0.83725597  0.85097722  0.75834056
   0.08562664  0.06939442  0.15009827
   0.36292302  0.18576175  0.28349570
   0.10844339  0.32440481  0.01245805
   0.32078396  0.43608617  0.33706814
   0.52662430  0.40302835  0.22015373
   0.28162494  0.35952354  0.16160764
   0.24054384  0.06851260  0.44415947
  -0.00067111  0.17609966  0.38096663
   0.00999477  0.03252750  0.53487680
   0.46825381  0.24710618  0.77202751
   0.11464428  0.28016661  0.53165314
   0.34163402  0.48094640  0.83516627
   0.44973972  0.46657059  0.66207730
   0.23369545  0.32656899  0.69194316
   0.30037809  0.23774704 -0.08509499
   0.04491562  0.16214303  0.87196802
   0.15705958  0.58015105  0.08713728
   0.40068737  0.67356709  0.25221638
   0.08370034  0.84193196  0.04670332
   0.38901941  0.92272331  0.33792728
   0.42751202  0.88863517  0.14353407
   0.18987200  0.84045873  0.22116420
   0.31534674  0.65879753  0.43831316
   0.04415530  0.64251820  0.42988508
   0.20129808  0.52834630  0.57091102
   0.28874127  0.72183256  0.76735759
   0.14344781  0.80568250  0.54164142
   0.35165165  1.01127196  0.81867772
   0.43683442  0.92807242  0.62673173
   0.16499383  0.96400881  0.67992552
   0.28148696  0.70439299 -0.04533868
   0.03505497  0.64015437  0.93401672
   0.61674830  0.06519497  0.10803973
   0.83933561  0.20215855  0.24093920
   0.61587135  0.31182270  0.03424487
   0.94737436  0.43166411  0.35387048
   0.02602247  0.39675105  0.18020451
   0.76351905  0.45174221  0.16108767
   0.73192086  0.19097170  0.41667754
   0.47603337  0.14602666  0.45097751
   0.65502858  0.07200954  0.59033566
   0.82061730  0.21875668  0.77882735
   0.62573364  0.32290700  0.55340615
   0.88837827  0.45581361  0.84700442
   0.99205208  0.43593609  0.65659592
   0.72309264  0.45204797  0.69462252
   0.81055322  0.12555883  0.96679523
   0.55763029  0.10149941  0.92425264
   0.55217497  0.56839603  0.06874078
   0.84687321  0.68760290  0.30048433
   0.63184435  0.81396618  0.03160174
   0.85064813  0.95769242  0.34716568
   0.91450167  0.88533202  0.18049568
   0.66353813  0.85048367  0.22446839
   0.79516009  0.58692055  0.46734277
   0.54854004  0.54376873  0.38735599
   0.58447196  0.60253429  0.56334832
   0.82798149  0.70843839  0.80686544
   0.62997195  0.79082267  0.41685939
   0.89731181  0.95993284  0.82887033
   0.93303929  0.84890207  0.66150004
   0.67599727  0.89586210  0.73993381
   0.77277734  0.60453759  0.97801812
   0.52293008  0.65534156  0.89065985
   0.64117028  0.81323271  0.56315408
   0.55084122  0.84402803  0.44031530
   0.88270610  0.25759160  0.07899190
   1.03847747  0.41959892  0.33300069
   0.32504786  0.15126246  0.66042710
   0.28791169  0.66549527  0.70943527
   0.04971057  1.15828038  0.17930382
   0.19392932  1.04682936  0.00348942
   0.62583814  0.36893970  0.86021766
   0.90610552  0.48853943  0.62703544
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943365    0.452200   -0.161733
    -0.000000    9.838832    0.121462
    -0.000000    0.000000   13.967776
   Si   O    H 
    32    64    10
Direct configuration=  1525
   0.16298511  0.18286235 -0.04187087
   0.37184383  0.07849845  0.37530995
   0.15136462  0.42630839  0.10543966
   0.37961211  0.34226352  0.25159620
   0.10172421  0.14104518  0.47652946
   0.41911529  0.14200029  0.86716648
   0.13649334  0.39668778  0.61233542
   0.37481792  0.38226446  0.74220546
   0.14506312  0.69165433  0.00544513
   0.39176704  0.58217576  0.35211235
   0.06657664  0.90848559  0.15253016
   0.35525585  0.84244925  0.24174410
   0.17667939  0.65479242  0.49302199
   0.36059126  0.64092634  0.85973019
   0.05772861  0.91004781  0.60664739
   0.32859613  1.00971295  0.69287023
   0.65563610  0.14513437  1.01300071
   0.85231543  0.13310518  0.35014571
   0.60950478  0.43332969  0.11938257
   0.87045380  0.32156008  0.17231174
   0.62107420  0.16945598  0.50300818
   0.89236570  0.11838337  0.86565704
   0.59748941  0.46183622  0.61523870
   0.75835182  0.37456975  0.79464007
   0.61518753  0.66016508 -0.01553249
   0.90357384  0.58677717  0.38540201
   0.58659805  0.89849931  0.12315560
   0.81355770  0.84282361  0.26942496
   0.63797346  0.63215306  0.45624630
   0.88398958  0.60185151  0.89441049
   0.61024344  0.91769279  0.63273053
   0.83715515  0.84990629  0.75806087
   0.08698051  0.06992400  0.14868516
   0.36347557  0.18657005  0.28267600
   0.10614414  0.32432960  0.01103487
   0.32170683  0.43596991  0.33683445
   0.52576968  0.40258324  0.22032780
   0.28279446  0.35902670  0.16300820
   0.23978051  0.06763459  0.44270616
  -0.00037206  0.17596655  0.38106304
   0.01070702  0.03128142  0.53425335
   0.46934023  0.24665528  0.77120719
   0.11510648  0.27939672  0.53219056
   0.34366167  0.48158875  0.83431019
   0.45011693  0.46845996  0.66191081
   0.23286496  0.32696414  0.69102157
   0.30033698  0.23627375 -0.08457572
   0.04575022  0.16107869  0.87239403
   0.15620712  0.57984799  0.08847622
   0.40040945  0.67421201  0.25269664
   0.08412573  0.84059275  0.04610068
   0.38889512  0.92343170  0.33794574
   0.42637078  0.88858688  0.14215665
   0.19071238  0.84208475  0.22006445
   0.31737318  0.66085401  0.43770431
   0.04533898  0.64225392  0.43127854
   0.20148123  0.52913240  0.57055161
   0.28851135  0.72203377  0.76792889
   0.14184853  0.80607266  0.54136991
   0.35123335  1.01189808  0.81877865
   0.43736893  0.92767882  0.62593960
   0.16548772  0.96499046  0.68024850
   0.28012269  0.70451908 -0.04467657
   0.03580037  0.63974160  0.93359901
   0.61700268  0.06457457  0.10734848
   0.83915608  0.20106074  0.24091783
   0.61547696  0.31078400  0.03401354
   0.94678156  0.42969472  0.35482074
   0.02615431  0.39823424  0.17971968
   0.76271025  0.45186967  0.15865084
   0.73109895  0.18967607  0.41675132
   0.47608960  0.14718998  0.45053181
   0.65563968  0.07099311  0.59056443
   0.82068108  0.21967325  0.77869245
   0.62485172  0.32302732  0.55304690
   0.88726922  0.45541622  0.84584107
   0.99197837  0.43551746  0.65635984
   0.72407593  0.45040522  0.69497922
   0.81223301  0.12447798  0.96656869
   0.55656072  0.10128216  0.92403375
   0.55148332  0.56892813  0.06845828
   0.84910924  0.68576839  0.30060165
   0.63238003  0.81360860  0.03186120
   0.84829617  0.95973287  0.34736814
   0.91671317  0.88408775  0.17989419
   0.66387029  0.84917371  0.22370824
   0.79601393  0.58635250  0.46718042
   0.54930366  0.54520813  0.38589824
   0.58329530  0.60351326  0.56245417
   0.82715823  0.70820146  0.80672758
   0.62967863  0.78959947  0.41735208
   0.89609306  0.96200695  0.82847645
   0.93311590  0.84885579  0.66141718
   0.67841076  0.89583497  0.73991430
   0.77337580  0.60393576  0.97746242
   0.52279732  0.65504009  0.89114221
   0.64562960  0.80934867  0.56187287
   0.54536246  0.84371167  0.43951071
   0.88067841  0.25672947  0.07448611
   1.03751811  0.41783093  0.33090637
   0.32569425  0.15215036  0.66052942
   0.28994140  0.66145789  0.71107522
   0.04942840  1.16213672  0.17491125
   0.18809349  1.05126567  0.00224690
   0.62439709  0.36948606  0.86134695
   0.90026090  0.49020724  0.62907034
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944233    0.448019   -0.163584
    -0.000000    9.838455    0.121822
    -0.000000    0.000000   13.968616
   Si   O    H 
    32    64    10
Direct configuration=  1526
   0.16259718  0.18148759 -0.04291722
   0.37104737  0.07932045  0.37533636
   0.15151710  0.42548870  0.10553498
   0.38012895  0.34142777  0.25124446
   0.10120923  0.14109018  0.47717120
   0.41790413  0.14385582  0.86664373
   0.13815419  0.39686311  0.61088819
   0.37365600  0.38156826  0.74237446
   0.14525931  0.69188867  0.00592020
   0.38998356  0.58267299  0.35292478
   0.06724341  0.90839607  0.15234427
   0.35463021  0.84187348  0.24093209
   0.17664178  0.65606060  0.49311851
   0.36083932  0.63987716  0.86017281
   0.05794696  0.91059889  0.60677421
   0.32954669  1.00869278  0.69255645
   0.65583827  0.14572614  1.01249785
   0.85170113  0.13486088  0.34981965
   0.61060837  0.43265707  0.12000357
   0.87040276  0.32131556  0.17197146
   0.62141011  0.16922847  0.50324023
   0.89207586  0.11815140  0.86471162
   0.59802394  0.46239374  0.61604509
   0.75910708  0.37431899  0.79426267
   0.61400748  0.66169826 -0.01426842
   0.90448146  0.58609905  0.38482484
   0.58705436  0.89757929  0.12300912
   0.81436881  0.84293435  0.26797618
   0.63784466  0.63313101  0.45614068
   0.88351175  0.60249351  0.89426938
   0.60960703  0.91845387  0.63223803
   0.83683978  0.84881642  0.75839544
   0.08749069  0.07056645  0.14796609
   0.36476843  0.18595327  0.28275777
   0.10428417  0.32469658  0.00996990
   0.32298410  0.43619159  0.33684850
   0.52568078  0.40265042  0.22019524
   0.28423170  0.35853615  0.16361898
   0.23767720  0.06757215  0.44134073
   0.00100614  0.17554920  0.38116049
   0.01110064  0.03143722  0.53336365
   0.47007467  0.24683776  0.77142860
   0.11709262  0.27858908  0.53320612
   0.34587792  0.48225290  0.83323141
   0.45034038  0.47012969  0.66245037
   0.23290270  0.32758292  0.69043368
   0.30122349  0.23537818 -0.08418035
   0.04648856  0.16051947  0.87343149
   0.15503754  0.57952892  0.08962463
   0.39951081  0.67519033  0.25325282
   0.08475332  0.83968607  0.04533246
   0.38876302  0.92427918  0.33761424
   0.42550815  0.88912132  0.14120933
   0.19166585  0.84408942  0.21866629
   0.31961588  0.66240902  0.43724554
   0.04572097  0.64168810  0.43200056
   0.20205540  0.53126614  0.57018904
   0.28834216  0.72211453  0.76859425
   0.14043746  0.80585082  0.54141819
   0.35069658  1.01168095  0.81888089
   0.43813851  0.92703846  0.62539713
   0.16726434  0.96560917  0.68028518
   0.27948585  0.70412815 -0.04514085
   0.03532373  0.63978724  0.93223094
   0.61805614  0.06338606  0.10667784
   0.83887408  0.19974966  0.24146855
   0.61513381  0.30916165  0.03443302
   0.94597085  0.42879062  0.35624163
   0.02691613  0.39930957  0.17972323
   0.76229969  0.45143738  0.15634031
   0.73054472  0.18873624  0.41706906
   0.47651598  0.14829713  0.45017397
   0.65658387  0.06917703  0.59099905
   0.81994137  0.21928926  0.77815539
   0.62389936  0.32348663  0.55267284
   0.88613117  0.45410349  0.84513248
   0.99200649  0.43526102  0.65584230
   0.72537160  0.44961827  0.69499858
   0.81297406  0.12344240  0.96657330
   0.55532351  0.10100363  0.92372032
   0.55087779  0.56937622  0.06860894
   0.85062850  0.68422789  0.30026336
   0.63281104  0.81315963  0.03150219
   0.84615505  0.96128133  0.34742698
   0.91817010  0.88286290  0.17929632
   0.66368059  0.84774981  0.22309797
   0.79715132  0.58574560  0.46724658
   0.54929144  0.54638127  0.38475506
   0.58222372  0.60418527  0.56183950
   0.82680767  0.70803730  0.80724387
   0.62825339  0.78854620  0.41821247
   0.89505800  0.96384968  0.82838818
   0.93323765  0.84906001  0.66173749
   0.68080490  0.89524947  0.74002092
   0.77399948  0.60355984  0.97731827
   0.52222961  0.65468221  0.89123287
   0.65133331  0.80898636  0.56329700
   0.54827832  0.83769405  0.43603143
   0.87623002  0.25939674  0.07328875
   1.03786101  0.41632525  0.33021714
   0.32774741  0.15166253  0.65867588
   0.28958514  0.65957332  0.71353175
   0.05106637  1.15335057  0.16823977
   0.18462157  1.05672959  0.00005875
   0.63196227  0.37171940  0.85905071
   0.90691356  0.48279650  0.63454438
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945199    0.443279   -0.165363
    -0.000000    9.837715    0.121990
    -0.000000    0.000000   13.969930
   Si   O    H 
    32    64    10
Direct configuration=  1527
   0.16224123  0.18009405 -0.04344612
   0.36997202  0.08023181  0.37596792
   0.15110819  0.42338701  0.10587400
   0.38058433  0.34047427  0.25150981
   0.10069076  0.14183505  0.47723318
   0.41667661  0.14528632  0.86597947
   0.13870641  0.39680309  0.60964739
   0.37305382  0.38108988  0.74246047
   0.14497602  0.69229908  0.00659097
   0.38855691  0.58255601  0.35334296
   0.06892687  0.90762848  0.15251934
   0.35345966  0.84174762  0.24005610
   0.17595855  0.65722131  0.49339558
   0.36097499  0.63882848  0.86042641
   0.05843497  0.91103366  0.60720908
   0.32982360  1.00753350  0.69225963
   0.65598094  0.14635215  1.01207548
   0.85134582  0.13587142  0.34945825
   0.61088012  0.43223748  0.12043330
   0.87059061  0.32097775  0.17135462
   0.62205803  0.16935414  0.50306360
   0.89165461  0.11767298  0.86343087
   0.59844525  0.46273452  0.61666068
   0.75958487  0.37369862  0.79334065
   0.61350388  0.66305015 -0.01291603
   0.90496735  0.58544908  0.38453553
   0.58740050  0.89702535  0.12260843
   0.81538602  0.84284382  0.26655959
   0.63762700  0.63336496  0.45614852
   0.88368551  0.60325570  0.89441214
   0.60874682  0.91914122  0.63174365
   0.83736076  0.84904933  0.75911941
   0.08889025  0.06990886  0.14721497
   0.36640927  0.18500716  0.28269166
   0.10236569  0.32545774  0.00953936
   0.32411647  0.43694986  0.33658044
   0.52585150  0.40261024  0.22006931
   0.28501779  0.35837960  0.16366729
   0.23552761  0.06814679  0.44015831
   0.00278060  0.17527954  0.38197718
   0.01160971  0.03170976  0.53241787
   0.47112183  0.24662583  0.77149828
   0.11884264  0.27775338  0.53439196
   0.34795144  0.48307450  0.83305256
   0.45045025  0.47191965  0.66324784
   0.23264950  0.32816073  0.69069784
   0.30184210  0.23453286 -0.08361824
   0.04610402  0.16021407  0.87446391
   0.15445761  0.58069281  0.09021269
   0.39802776  0.67622010  0.25360647
   0.08622493  0.83875419  0.04476727
   0.38884107  0.92400643  0.33773040
   0.42570836  0.88956742  0.14090968
   0.19280016  0.84557104  0.21775686
   0.32010186  0.66419840  0.43728434
   0.04465334  0.64114800  0.43190018
   0.20222478  0.53354383  0.57005108
   0.28924256  0.72239942  0.76913949
   0.13930354  0.80516126  0.54090490
   0.35090294  1.01166875  0.81865102
   0.43919498  0.92672167  0.62525111
   0.16938863  0.96618107  0.68026147
   0.27923068  0.70305889 -0.04579521
   0.03436146  0.63955644  0.93093793
   0.61923510  0.06089772  0.10599716
   0.83849807  0.19839687  0.24214577
   0.61502433  0.30785909  0.03488907
   0.94572447  0.42874005  0.35720794
   0.02723113  0.40000084  0.17986896
   0.76275187  0.45174427  0.15485674
   0.73015871  0.18737990  0.41677350
   0.47661367  0.14868118  0.44948521
   0.65771819  0.06714425  0.59179387
   0.81912785  0.21936404  0.77741068
   0.62317745  0.32365492  0.55225406
   0.88568787  0.45289619  0.84449839
   0.99167865  0.43451169  0.65508499
   0.72730022  0.44845477  0.69478032
   0.81280099  0.12255370  0.96667234
   0.55457754  0.10055535  0.92320041
   0.54938822  0.56921783  0.06901845
   0.85161112  0.68257694  0.30021330
   0.63353057  0.81315177  0.03129251
   0.84373088  0.96292843  0.34743052
   0.91889205  0.88123897  0.17897134
   0.66249520  0.84659554  0.22262874
   0.79828661  0.58517563  0.46686003
   0.54870353  0.54756828  0.38318396
   0.58106288  0.60540591  0.56091137
   0.82754201  0.70799038  0.80838769
   0.62723085  0.78836301  0.41832649
   0.89359676  0.96547692  0.82823286
   0.93272484  0.84942772  0.66283866
   0.68201551  0.89470620  0.73938816
   0.77487442  0.60330698  0.97725787
   0.52217370  0.65441899  0.89135146
   0.65507264  0.81293630  0.56635592
   0.54410122  0.83451058  0.43204576
   0.87095101  0.26430625  0.07716472
   1.03481547  0.41908948  0.33178931
   0.33091791  0.15031240  0.65886547
   0.28558509  0.66227168  0.71750421
   0.04724668  1.15485551  0.16604368
   0.18349328  1.05294249  0.00235225
   0.65123270  0.37393843  0.85597914
   0.91491208  0.47446522  0.64174255
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946268    0.438770   -0.167360
    -0.000000    9.836497    0.121521
    -0.000000    0.000000   13.971351
   Si   O    H 
    32    64    10
Direct configuration=  1528
   0.16153047  0.17903073 -0.04391264
   0.36933631  0.08131232  0.37679023
   0.15062298  0.42103433  0.10668376
   0.38108769  0.33963823  0.25170189
   0.09921465  0.14226385  0.47721312
   0.41623043  0.14650904  0.86543252
   0.13866971  0.39684734  0.60871337
   0.37209280  0.38013094  0.74249616
   0.14411793  0.69325602  0.00722411
   0.38755448  0.58207833  0.35372408
   0.07074510  0.90691190  0.15250126
   0.35263862  0.84098660  0.23929007
   0.17522576  0.65838137  0.49348119
   0.36087078  0.63848944  0.86050829
   0.05878399  0.91104150  0.60755682
   0.32995441  1.00749827  0.69221349
   0.65608978  0.14690576  1.01162888
   0.85145326  0.13581557  0.34898083
   0.61139231  0.43133133  0.12075873
   0.87093910  0.32108419  0.17071821
   0.62238602  0.17021517  0.50275994
   0.89112704  0.11801149  0.86225056
   0.59911301  0.46291764  0.61712826
   0.75983272  0.37277011  0.79235244
   0.61402176  0.66377716 -0.01157555
   0.90562340  0.58469540  0.38421345
   0.58767082  0.89633883  0.12228345
   0.81594086  0.84276664  0.26542355
   0.63786444  0.63321585  0.45594543
   0.88414779  0.60343892  0.89444530
   0.60865111  0.91997226  0.63121690
   0.83801893  0.84984570  0.75944202
   0.09028385  0.06875365  0.14617758
   0.36776240  0.18312206  0.28310456
   0.10110105  0.32577141  0.00957524
   0.32505962  0.43780403  0.33634549
   0.52458849  0.40242044  0.22029863
   0.28491672  0.35796698  0.16294866
   0.23421065  0.06868216  0.43890609
   0.00476902  0.17465533  0.38290434
   0.01279167  0.03232801  0.53183957
   0.47165860  0.24651004  0.77109556
   0.11974732  0.27593874  0.53523126
   0.35026059  0.48330120  0.83282237
   0.45054549  0.47249694  0.66419503
   0.23342662  0.32873141  0.69137108
   0.30259364  0.23419915 -0.08320352
   0.04540753  0.15989891  0.87536330
   0.15383153  0.58167936  0.09136722
   0.39708951  0.67732900  0.25409409
   0.08780775  0.83797706  0.04408477
   0.38953254  0.92399905  0.33805199
   0.42554249  0.88997937  0.14118284
   0.19425549  0.84630482  0.21724494
   0.32110836  0.66569951  0.43759208
   0.04314134  0.64017347  0.43161883
   0.20139387  0.53613498  0.57020916
   0.29047631  0.72283482  0.77018899
   0.13881306  0.80371909  0.54134459
   0.35121932  1.01103429  0.81789187
   0.44029396  0.92685384  0.62501899
   0.17123794  0.96759304  0.68008871
   0.27945898  0.70194436 -0.04711792
   0.03278655  0.63936470  0.92947674
   0.61967090  0.05799838  0.10560426
   0.83784497  0.19686925  0.24329886
   0.61519278  0.30801732  0.03592706
   0.94457859  0.42906182  0.35801925
   0.02727268  0.39927386  0.18062323
   0.76357194  0.45174110  0.15400144
   0.72886311  0.18587839  0.41603663
   0.47611365  0.14870169  0.44879739
   0.65914953  0.06478654  0.59309470
   0.81849207  0.21868526  0.77670692
   0.62248782  0.32469359  0.55219357
   0.88562830  0.45158643  0.84371900
   0.99384959  0.43300239  0.65468491
   0.72899501  0.44790021  0.69413704
   0.81186125  0.12221659  0.96659596
   0.55434318  0.10042077  0.92362655
   0.54748497  0.56888553  0.06938245
   0.85290728  0.68161160  0.30021630
   0.63418290  0.81328232  0.03090425
   0.84100135  0.96465389  0.34727212
   0.91914601  0.87917313  0.17890984
   0.66132817  0.84563679  0.22168389
   0.79978172  0.58379722  0.46616109
   0.54883098  0.54790072  0.38172539
   0.58044580  0.60694794  0.56009695
   0.82822192  0.70687844  0.80951761
   0.62671049  0.78859488  0.41886473
   0.89335885  0.96696558  0.82827926
   0.93257249  0.84920368  0.66337508
   0.68309034  0.89410648  0.73792165
   0.77582932  0.60253020  0.97703516
   0.52183770  0.65361934  0.89206381
   0.65705684  0.81658961  0.56965400
   0.53530343  0.83281430  0.43169529
   0.86623280  0.26844018  0.07963786
   1.03298239  0.42089852  0.33119231
   0.33956912  0.14602832  0.65989872
   0.28430620  0.66064411  0.71759289
   0.04442508  1.16084037  0.16326806
   0.18200444  1.04655151  0.00586862
   0.66224780  0.37428481  0.85561142
   0.90064623  0.47736945  0.64502895
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947497    0.433969   -0.169125
    -0.000000    9.835802    0.121209
    -0.000000    0.000000   13.972728
   Si   O    H 
    32    64    10
Direct configuration=  1529
   0.16084077  0.17793930 -0.04425148
   0.36854866  0.08308835  0.37765953
   0.14977711  0.41829436  0.10732119
   0.38214785  0.33913176  0.25129377
   0.09767048  0.14235988  0.47719834
   0.41654593  0.14732024  0.86467182
   0.13842980  0.39661749  0.60799908
   0.37167875  0.37970237  0.74218492
   0.14347415  0.69429257  0.00800149
   0.38788527  0.58174602  0.35390957
   0.07231515  0.90660216  0.15244400
   0.35203143  0.84056067  0.23859303
   0.17483778  0.65945474  0.49336465
   0.36055352  0.63934151  0.86087549
   0.05929467  0.91102120  0.60761924
   0.32982748  1.00806037  0.69236208
   0.65648540  0.14765334  1.01112707
   0.85195494  0.13498940  0.34895171
   0.61211123  0.42917762  0.12040143
   0.87145234  0.32143064  0.17022702
   0.62318664  0.17128416  0.50287677
   0.88989503  0.11854646  0.86149078
   0.59973352  0.46263976  0.61769417
   0.76021983  0.37214510  0.79143082
   0.61428089  0.66420953 -0.01042670
   0.90656775  0.58439370  0.38393955
   0.58815789  0.89609554  0.12203017
   0.81632092  0.84259792  0.26414322
   0.63895506  0.63292210  0.45548122
   0.88409672  0.60346741  0.89400848
   0.60852235  0.92153677  0.63090592
   0.83770840  0.85090552  0.75976522
   0.09170510  0.06827455  0.14503265
   0.36867980  0.18166432  0.28355394
   0.10092074  0.32617973  0.01025282
   0.32548492  0.43752776  0.33644846
   0.52314544  0.40249149  0.22073988
   0.28416253  0.35795062  0.16192601
   0.23336818  0.06899815  0.43785181
   0.00682087  0.17326161  0.38353040
   0.01329087  0.03208978  0.53193477
   0.47163389  0.24648820  0.77056804
   0.12070744  0.27477647  0.53579939
   0.35212829  0.48322496  0.83265194
   0.44989313  0.47286476  0.66508768
   0.23503765  0.33005280  0.69209654
   0.30273833  0.23422527 -0.08266365
   0.04449526  0.15920712  0.87667585
   0.15354112  0.58248591  0.09215903
   0.39650856  0.67821732  0.25467792
   0.08826135  0.83707961  0.04369147
   0.39097810  0.92331550  0.33807982
   0.42598670  0.89039567  0.14139780
   0.19492880  0.84706063  0.21644694
   0.32160838  0.66605956  0.43833892
   0.04161550  0.63855914  0.43169348
   0.20097541  0.53828835  0.57014416
   0.29155000  0.72357763  0.77100781
   0.13853796  0.80165457  0.54176270
   0.35139829  1.01011506  0.81645481
   0.44098738  0.92685548  0.62581504
   0.17349606  0.96901756  0.67948511
   0.27982406  0.70089947 -0.04855197
   0.03160644  0.64051018  0.92852540
   0.61961807  0.05539724  0.10518898
   0.83792566  0.19554203  0.24420187
   0.61528333  0.30850368  0.03685664
   0.94289816  0.42921305  0.35924003
   0.02717599  0.39873840  0.18131453
   0.76371928  0.45198921  0.15347228
   0.72800767  0.18436984  0.41539223
   0.47583687  0.14861845  0.44832302
   0.65980254  0.06296869  0.59424905
   0.81773793  0.21770062  0.77638368
   0.62164006  0.32571498  0.55191599
   0.88621265  0.45112382  0.84324050
   0.99568793  0.43142076  0.65444173
   0.72985350  0.44845880  0.69283740
   0.81192098  0.12218084  0.96644701
   0.55408545  0.10124279  0.92413102
   0.54578898  0.56848495  0.06977426
   0.85338797  0.68128594  0.29981041
   0.63473167  0.81354482  0.03031013
   0.83847164  0.96559372  0.34695472
   0.91903816  0.87747495  0.17970184
   0.66051248  0.84578547  0.22138002
   0.80006162  0.58179280  0.46618571
   0.54852875  0.54880766  0.38035364
   0.57973621  0.60779136  0.55971678
   0.82943762  0.70548712  0.80995625
   0.62567976  0.79033470  0.41969154
   0.89314633  0.96704489  0.82825791
   0.93239726  0.84859405  0.66370492
   0.68330049  0.89377900  0.73683827
   0.77631392  0.60108870  0.97705768
   0.52135297  0.65184028  0.89230073
   0.66136203  0.82546115  0.57049479
   0.53165370  0.83031747  0.43213765
   0.86211596  0.26556133  0.07704607
   1.03345586  0.42397108  0.32726622
   0.35156549  0.14247310  0.65984395
   0.28278491  0.66178796  0.71872228
   0.04549100  1.16312854  0.16003801
   0.18164941  1.04299017  0.00580066
   0.66061669  0.37549349  0.85944481
   0.89550298  0.47686099  0.64828051
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948493    0.429209   -0.170430
    -0.000000    9.834991    0.120499
    -0.000000    0.000000   13.974272
   Si   O    H 
    32    64    10
Direct configuration=  1530
   0.16009657  0.17706456 -0.04412364
   0.36793664  0.08488001  0.37810116
   0.14900215  0.41523791  0.10791515
   0.38323595  0.33901726  0.25092139
   0.09672623  0.14201972  0.47745945
   0.41666239  0.14745215  0.86351560
   0.13798976  0.39620332  0.60765354
   0.37168772  0.37934596  0.74209563
   0.14295815  0.69522638  0.00859262
   0.38907893  0.58141612  0.35393733
   0.07386690  0.90665117  0.15251656
   0.35173445  0.84025008  0.23808855
   0.17406261  0.66041647  0.49303756
   0.36028718  0.64026006  0.86098868
   0.05947618  0.91096800  0.60819728
   0.32943285  1.00893451  0.69211659
   0.65603524  0.14864911  1.01072392
   0.85265012  0.13364401  0.34897738
   0.61155081  0.42807980  0.12020423
   0.87199031  0.32142237  0.16985481
   0.62379506  0.17222303  0.50296152
   0.88913609  0.11960089  0.86133743
   0.60019774  0.46267257  0.61811720
   0.76147779  0.37167193  0.79059302
   0.61457118  0.66390552 -0.00942445
   0.90761043  0.58396076  0.38363826
   0.58897507  0.89572811  0.12196070
   0.81637933  0.84209849  0.26284361
   0.64106473  0.63264424  0.45496881
   0.88440801  0.60298800  0.89374137
   0.60855800  0.92265937  0.63078965
   0.83758706  0.85169883  0.75995619
   0.09334144  0.06835689  0.14485157
   0.36936031  0.17949941  0.28420087
   0.10120539  0.32549314  0.01159857
   0.32517397  0.43748095  0.33695992
   0.52183903  0.40140938  0.22099758
   0.28355101  0.35730222  0.16134819
   0.23263228  0.06933336  0.43691466
   0.00820220  0.17226342  0.38408502
   0.01389337  0.03176713  0.53214681
   0.47209116  0.24562546  0.77055419
   0.12232493  0.27318894  0.53667586
   0.35419921  0.48334610  0.83243967
   0.44953764  0.47309346  0.66535274
   0.23648080  0.33087748  0.69343476
   0.30230222  0.23396449 -0.08137487
   0.04372901  0.15830420  0.87754122
   0.15308275  0.58304802  0.09258463
   0.39562176  0.67920415  0.25548538
   0.08838253  0.83717009  0.04388035
   0.39152131  0.92273174  0.33868893
   0.42631756  0.89120132  0.14162672
   0.19540496  0.84751951  0.21623480
   0.32238559  0.66644021  0.43943852
   0.04037471  0.63793115  0.43116967
   0.20010853  0.54032080  0.57063187
   0.29212689  0.72447459  0.77194505
   0.13899305  0.79939947  0.54300443
   0.35143941  1.00918376  0.81499589
   0.44252542  0.92716512  0.62666894
   0.17534161  0.96921947  0.67872966
   0.28098952  0.69936178 -0.05008017
   0.03083723  0.64096942  0.92814423
   0.61989008  0.05268838  0.10473963
   0.83717109  0.19508244  0.24472248
   0.61564954  0.30919123  0.03746870
   0.94215335  0.42910751  0.35997759
   0.02603983  0.39814793  0.18223753
   0.76379137  0.45164789  0.15296107
   0.72739299  0.18317294  0.41453798
   0.47620641  0.14792268  0.44816003
   0.66084876  0.06161280  0.59471573
   0.81748837  0.21662049  0.77629595
   0.62034805  0.32721846  0.55161964
   0.88652443  0.45112788  0.84245030
   0.99644160  0.42982295  0.65440051
   0.73089889  0.44966096  0.69137477
   0.81166281  0.12325777  0.96650513
   0.55348249  0.10138713  0.92435609
   0.54446203  0.56768871  0.07032911
   0.85372334  0.68163068  0.29870583
   0.63559485  0.81442988  0.02994381
   0.83657541  0.96619545  0.34645625
   0.91871766  0.87604513  0.18062131
   0.65986208  0.84639644  0.22155653
   0.80017332  0.58051912  0.46644147
   0.54856352  0.54975694  0.37923717
   0.57927816  0.60804282  0.56060253
   0.83069983  0.70521189  0.81046109
   0.62362513  0.79177242  0.41981391
   0.89322853  0.96784700  0.82779906
   0.93203174  0.84745119  0.66382438
   0.68258297  0.89400082  0.73461259
   0.77530395  0.60026391  0.97751557
   0.52096591  0.65052663  0.89153052
   0.66433678  0.82884471  0.56890838
   0.53879033  0.82520753  0.43226180
   0.86081147  0.26181382  0.07403977
   1.02809995  0.42759931  0.32461917
   0.35953259  0.14280224  0.65900261
   0.28092078  0.66415695  0.71777640
   0.05491369  1.15155111  0.15802531
   0.18330949  1.04394073  0.00501371
   0.65605826  0.37832717  0.86709395
   0.90863159  0.47327893  0.65238434
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949222    0.424329   -0.172238
    -0.000000    9.834113    0.119248
    -0.000000    0.000000   13.975570
   Si   O    H 
    32    64    10
Direct configuration=  1531
   0.15920927  0.17678958 -0.04395748
   0.36715687  0.08606126  0.37883011
   0.14826501  0.41175529  0.10847764
   0.38417576  0.33854598  0.24990112
   0.09653039  0.14189106  0.47764113
   0.41723655  0.14769453  0.86220381
   0.13794928  0.39581359  0.60722974
   0.37202480  0.37934450  0.74238619
   0.14218815  0.69578764  0.00892373
   0.39026067  0.58125918  0.35377281
   0.07550786  0.90653764  0.15237348
   0.35144729  0.83960021  0.23833852
   0.17347407  0.66091761  0.49316153
   0.36024886  0.64114139  0.86115739
   0.05960056  0.91099629  0.60838900
   0.32895225  1.00980951  0.69222639
   0.65509899  0.14945950  1.01030994
   0.85313328  0.13228718  0.34896199
   0.61049712  0.42715439  0.11980868
   0.87225914  0.32184126  0.16968351
   0.62441362  0.17307364  0.50352029
   0.88787400  0.12133052  0.86158571
   0.60058925  0.46232192  0.61854060
   0.76330981  0.37139741  0.79035500
   0.61496541  0.66319313 -0.00861707
   0.90853405  0.58334849  0.38346987
   0.58933771  0.89534083  0.12150387
   0.81647176  0.84179655  0.26175336
   0.64271835  0.63198857  0.45434380
   0.88447424  0.60202895  0.89311348
   0.60846187  0.92348723  0.63104095
   0.83700990  0.85223986  0.76021791
   0.09593908  0.06753472  0.14473082
   0.36912016  0.17791596  0.28488598
   0.10179876  0.32473627  0.01289234
   0.32517299  0.43729267  0.33702898
   0.52107686  0.40136309  0.22067472
   0.28244074  0.35668949  0.16114841
   0.23153636  0.07014203  0.43660197
   0.00942095  0.17135010  0.38472228
   0.01382447  0.03168893  0.53268037
   0.47179986  0.24464348  0.77046494
   0.12343445  0.27097644  0.53694304
   0.35611335  0.48247208  0.83183765
   0.44872598  0.47383395  0.66566721
   0.23827341  0.33182764  0.69472799
   0.30204020  0.23401400 -0.08038300
   0.04215607  0.15743635  0.87867825
   0.15326199  0.58250060  0.09293278
   0.39438939  0.68080471  0.25639489
   0.08842699  0.83774854  0.04497741
   0.39260272  0.92274057  0.33877841
   0.42722898  0.89181477  0.14196673
   0.19495953  0.84858111  0.21569366
   0.32256413  0.66720720  0.44011502
   0.03956547  0.63756620  0.43034241
   0.19931027  0.54167910  0.57162196
   0.29223174  0.72511682  0.77260824
   0.13968385  0.79755368  0.54389379
   0.35129731  1.00846909  0.81352352
   0.44420885  0.92721168  0.62731998
   0.17704389  0.96905474  0.67784064
   0.28162062  0.69832609 -0.05062045
   0.03068162  0.64174816  0.92756842
   0.61976415  0.05101363  0.10411216
   0.83621549  0.19565187  0.24427828
   0.61531905  0.31029322  0.03771311
   0.94221287  0.42847170  0.35985363
   0.02488470  0.39660190  0.18328581
   0.76377897  0.45112249  0.15316296
   0.72774031  0.18163690  0.41369374
   0.47700540  0.14789841  0.44868069
   0.66154557  0.06127641  0.59432938
   0.81804648  0.21547202  0.77626898
   0.61900167  0.32823851  0.55105221
   0.88744200  0.45105144  0.84195327
   0.99799899  0.42857538  0.65466867
   0.73222301  0.45039930  0.68961645
   0.81119666  0.12499007  0.96711102
   0.55252458  0.10153453  0.92475422
   0.54279650  0.56682938  0.07084731
   0.85379048  0.68249929  0.29800430
   0.63646319  0.81566556  0.02940218
   0.83542169  0.96652442  0.34532590
   0.91930074  0.87384366  0.18194805
   0.65951950  0.84698684  0.22205982
   0.79969576  0.58026363  0.46690915
   0.54865301  0.55066917  0.37855403
   0.57973942  0.60767674  0.56116751
   0.83193182  0.70502653  0.81137058
   0.62232153  0.79280905  0.41970428
   0.89349674  0.96784574  0.82763593
   0.93228597  0.84742153  0.66338832
   0.68262458  0.89482565  0.73233025
   0.77359053  0.59985865  0.97787468
   0.52019618  0.64909003  0.89146365
   0.66586883  0.82687271  0.56558044
   0.52920099  0.83121470  0.43232612
   0.85990058  0.25651919  0.07371780
   1.02051727  0.42869119  0.32164107
   0.36622179  0.14312521  0.65645269
   0.27927096  0.66771185  0.71700589
   0.05746708  1.15089233  0.15975733
   0.18683241  1.04734576  0.00336346
   0.65539867  0.38326173  0.87256589
   0.91733282  0.46886670  0.65350057
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950191    0.419665   -0.173636
    -0.000000    9.833179    0.117497
    -0.000000    0.000000   13.976699
   Si   O    H 
    32    64    10
Direct configuration=  1532
   0.15914354  0.17658939 -0.04397946
   0.36655940  0.08754767  0.37920762
   0.14718160  0.40850628  0.10906576
   0.38473938  0.33731978  0.24963578
   0.09556135  0.14163941  0.47782955
   0.41792277  0.14798825  0.86036743
   0.13824795  0.39550060  0.60704409
   0.37289595  0.37940985  0.74214374
   0.14200431  0.69616842  0.00944442
   0.39125786  0.58213276  0.35358133
   0.07625265  0.90599955  0.15194380
   0.35127660  0.83877996  0.23886157
   0.17272233  0.66184576  0.49335775
   0.35984882  0.64223822  0.86135092
   0.05982033  0.91039251  0.60812900
   0.32858338  1.01109924  0.69231553
   0.65401100  0.15003993  1.00967542
   0.85388825  0.13116329  0.34899484
   0.60970173  0.42567895  0.11976226
   0.87266389  0.32222537  0.16965987
   0.62528704  0.17465217  0.50375992
   0.88653492  0.12309934  0.86195120
   0.60048778  0.46168884  0.61867038
   0.76530928  0.37085350  0.79015549
   0.61571240  0.66210444 -0.00748009
   0.90941889  0.58309523  0.38385722
   0.58924481  0.89505782  0.12129737
   0.81630754  0.84171339  0.26148814
   0.64400103  0.63168348  0.45361414
   0.88436479  0.60062832  0.89284097
   0.60784879  0.92413359  0.63079384
   0.83686484  0.85202282  0.76024840
   0.09855823  0.06610175  0.14482396
   0.36885180  0.17690671  0.28504518
   0.10218305  0.32381735  0.01409930
   0.32442024  0.43617556  0.33739353
   0.52076044  0.40128486  0.21962847
   0.28204343  0.35651937  0.16058277
   0.23125060  0.07043834  0.43648411
   0.01081510  0.17108050  0.38519150
   0.01369708  0.03206350  0.53350994
   0.47112709  0.24405256  0.77078781
   0.12456433  0.26923404  0.53754072
   0.35720669  0.48134550  0.83105419
   0.44797860  0.47439090  0.66626260
   0.23985550  0.33324764  0.69514838
   0.30113613  0.23405441 -0.07945967
   0.04042643  0.15622207  0.88012885
   0.15243080  0.58078506  0.09374464
   0.39250441  0.68139427  0.25702617
   0.08867667  0.83891845  0.04633387
   0.39411527  0.92290742  0.33904526
   0.42818840  0.89210330  0.14286456
   0.19434277  0.84877526  0.21536275
   0.32197433  0.66822852  0.44074772
   0.03907973  0.63699177  0.42975390
   0.19832341  0.54323554  0.57247291
   0.29252183  0.72572441  0.77297811
   0.14023210  0.79629210  0.54513226
   0.35122229  1.00750333  0.81218534
   0.44600880  0.92666944  0.62781360
   0.17764556  0.96877461  0.67732019
   0.28228424  0.69721133 -0.05101941
   0.03111799  0.64205182  0.92724674
   0.62020851  0.05023994  0.10340675
   0.83506241  0.19663216  0.24387991
   0.61507855  0.31111123  0.03791034
   0.94135872  0.42745616  0.35947567
   0.02316879  0.39437703  0.18379073
   0.76397203  0.44999986  0.15402346
   0.72814794  0.17968087  0.41362679
   0.47813376  0.14801271  0.44930874
   0.66232798  0.06152359  0.59385872
   0.81877823  0.21479619  0.77655267
   0.61714972  0.32900442  0.55034266
   0.88872483  0.45123019  0.84198025
   0.99966834  0.42643955  0.65489905
   0.73361157  0.45156462  0.68774358
   0.81097109  0.12694557  0.96787181
   0.55150379  0.10189324  0.92484148
   0.54233606  0.56653917  0.07179228
   0.85354193  0.68422726  0.29731758
   0.63751334  0.81662184  0.02896728
   0.83463723  0.96675487  0.34374895
   0.92067223  0.87196728  0.18288060
   0.65977419  0.84650038  0.22218275
   0.79832027  0.57816371  0.46749906
   0.54895416  0.55189816  0.37787791
   0.57992530  0.60744134  0.56133519
   0.83317398  0.70517931  0.81231047
   0.62096826  0.79383230  0.41992824
   0.89408578  0.96771581  0.82789572
   0.93219892  0.84703253  0.66288735
   0.68264013  0.89485623  0.73068006
   0.77193723  0.59875107  0.97772200
   0.52034007  0.64826353  0.89124566
   0.66699794  0.82553950  0.56349328
   0.52765749  0.83367126  0.42956388
   0.86050389  0.24898354  0.07538889
   1.01957935  0.42717169  0.31753583
   0.36661921  0.14389966  0.65453861
   0.27901039  0.66811300  0.71702851
   0.05465935  1.15880780  0.16247612
   0.19069777  1.04829686  0.00339759
   0.65650575  0.38799172  0.87314412
   0.90618736  0.47454904  0.65113044
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951724    0.414679   -0.175181
    -0.000000    9.832046    0.115397
    -0.000000    0.000000   13.977929
   Si   O    H 
    32    64    10
Direct configuration=  1533
   0.15979074  0.17605027 -0.04330488
   0.36567823  0.08810678  0.38006488
   0.14684496  0.40552452  0.10953932
   0.38533884  0.33583331  0.24940543
   0.09497730  0.14097479  0.47783794
   0.41926956  0.14770240  0.85855942
   0.13845440  0.39542832  0.60686395
   0.37390394  0.38003436  0.74196271
   0.14239132  0.69591349  0.00989448
   0.39221738  0.58292229  0.35327611
   0.07682757  0.90603501  0.15136094
   0.35142635  0.83856461  0.23872252
   0.17232862  0.66253547  0.49346331
   0.36021644  0.64289621  0.86143349
   0.05935711  0.91015471  0.60757011
   0.32852936  1.01315513  0.69204009
   0.65329637  0.15029461  1.00912617
   0.85485980  0.12940718  0.34901160
   0.60896263  0.42426505  0.11974973
   0.87309159  0.32251436  0.16933023
   0.62609884  0.17567156  0.50365235
   0.88576566  0.12507772  0.86280617
   0.60021610  0.46103311  0.61864943
   0.76700766  0.37050986  0.78981979
   0.61621270  0.66108270 -0.00640858
   0.91031014  0.58327245  0.38425210
   0.58889776  0.89535018  0.12122816
   0.81584148  0.84141923  0.26156565
   0.64524802  0.63146231  0.45297352
   0.88384996  0.59895337  0.89263295
   0.60722805  0.92432122  0.63047884
   0.83731767  0.85209891  0.75991222
   0.10073247  0.06559836  0.14549705
   0.36935098  0.17660682  0.28522054
   0.10305580  0.32238960  0.01479870
   0.32414284  0.43480481  0.33682154
   0.52072015  0.40052869  0.21838717
   0.28180328  0.35694575  0.16037796
   0.23180621  0.07074320  0.43619878
   0.01134353  0.17128190  0.38531325
   0.01370525  0.03206085  0.53500765
   0.47039076  0.24269471  0.77146106
   0.12508415  0.26752655  0.53832811
   0.35850502  0.48088659  0.83026743
   0.44844764  0.47347112  0.66649983
   0.24076587  0.33463602  0.69552889
   0.30032281  0.23357178 -0.07832933
   0.03922582  0.15471086  0.88120629
   0.15190277  0.57874103  0.09424547
   0.39082547  0.68118401  0.25763018
   0.08949534  0.84030034  0.04711654
   0.39548116  0.92360304  0.33903748
   0.42748914  0.89137671  0.14402605
   0.19334315  0.84954752  0.21541258
   0.32156445  0.66954772  0.44062515
   0.03894821  0.63706879  0.42907521
   0.19820856  0.54506098  0.57321585
   0.29317745  0.72741431  0.77294209
   0.14019722  0.79463973  0.54627515
   0.35176348  1.00661565  0.81108968
   0.44633736  0.92657514  0.62855938
   0.17786454  0.96901688  0.67750413
   0.28286673  0.69568961 -0.05097862
   0.03141964  0.64297901  0.92731917
   0.62072465  0.05052164  0.10295874
   0.83289468  0.19715178  0.24382744
   0.61493642  0.31221059  0.03769120
   0.94078432  0.42704507  0.35915884
   0.02063541  0.39274677  0.18503164
   0.76371441  0.44836449  0.15487844
   0.72836126  0.17743131  0.41345782
   0.47955652  0.14775943  0.45035984
   0.66302143  0.06233627  0.59330816
   0.81926113  0.21460326  0.77683055
   0.61542641  0.32962371  0.54931614
   0.88957958  0.45097630  0.84211252
   1.00021448  0.42436743  0.65540151
   0.73449887  0.45229625  0.68620488
   0.81064479  0.12882328  0.96923709
   0.55018193  0.10259701  0.92535493
   0.54154647  0.56653152  0.07227603
   0.85287816  0.68539491  0.29674742
   0.63807062  0.81767890  0.02814992
   0.83316838  0.96596635  0.34200520
   0.92271501  0.87076885  0.18353279
   0.66078101  0.84599806  0.22248113
   0.79679966  0.57575905  0.46830941
   0.54957568  0.55271904  0.37790435
   0.58029945  0.60583847  0.56158759
   0.83369363  0.70565321  0.81293617
   0.62007904  0.79415219  0.41972538
   0.89485310  0.96710326  0.82816168
   0.93274980  0.84662463  0.66295722
   0.68233124  0.89504887  0.72987660
   0.77010452  0.59769318  0.97827344
   0.52102345  0.64700410  0.89157621
   0.66400000  0.82528477  0.55962978
   0.53038086  0.83291984  0.42642877
   0.86240913  0.24327604  0.07897233
   1.01863858  0.42229257  0.31529678
   0.36176384  0.14516400  0.65261346
   0.28101662  0.67137366  0.71731338
   0.05866267  1.15490689  0.16392453
   0.19579011  1.04618564  0.00275236
   0.65885109  0.38917603  0.86708212
   0.90183378  0.47404146  0.64686479
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953146    0.410054   -0.176887
    -0.000000    9.830815    0.113753
    -0.000000    0.000000   13.979318
   Si   O    H 
    32    64    10
Direct configuration=  1534
   0.16029334  0.17575151 -0.04205457
   0.36522965  0.08787812  0.38094193
   0.14631941  0.40372769  0.10964446
   0.38593499  0.33476766  0.24943801
   0.09466705  0.13978966  0.47766531
   0.42043744  0.14732722  0.85689097
   0.13854701  0.39530717  0.60663769
   0.37499856  0.38043664  0.74189920
   0.14314340  0.69541084  0.01010120
   0.39321016  0.58425375  0.35315195
   0.07754314  0.90586919  0.15081615
   0.35155855  0.83822362  0.23893769
   0.17225347  0.66252115  0.49319911
   0.36029784  0.64339624  0.86113901
   0.05872608  0.91000091  0.60686382
   0.32863737  1.01533101  0.69188421
   0.65281117  0.15056585  1.00887814
   0.85573757  0.12797605  0.34925186
   0.60841329  0.42276413  0.11979201
   0.87350412  0.32326577  0.16921979
   0.62696121  0.17595296  0.50367652
   0.88439678  0.12653636  0.86370885
   0.59985241  0.46042203  0.61855735
   0.76850637  0.37042015  0.78971259
   0.61584737  0.66038876 -0.00531581
   0.91024109  0.58334392  0.38461552
   0.58854868  0.89550431  0.12137238
   0.81538651  0.84155657  0.26234647
   0.64622518  0.63115361  0.45295693
   0.88324998  0.59712720  0.89295081
   0.60712962  0.92354334  0.62996351
   0.83777072  0.85199745  0.75947161
   0.10182629  0.06594099  0.14562789
   0.37037458  0.17658301  0.28478782
   0.10383101  0.32076529  0.01491462
   0.32365374  0.43376331  0.33608995
   0.52141534  0.39923818  0.21681122
   0.28154580  0.35576896  0.16026947
   0.23236556  0.07108553  0.43606598
   0.01023906  0.17128200  0.38441075
   0.01424327  0.03144307  0.53709150
   0.46948013  0.24186878  0.77229154
   0.12566180  0.26698260  0.53979378
   0.35942250  0.48064933  0.82994085
   0.44932606  0.47277560  0.66656859
   0.24045212  0.33606488  0.69555821
   0.29993529  0.23323385 -0.07765503
   0.03797767  0.15366035  0.88199597
   0.15198251  0.57599224  0.09475217
   0.38887256  0.68096137  0.25820020
   0.09050401  0.84217798  0.04702829
   0.39667811  0.92433637  0.33897565
   0.42682827  0.89085158  0.14536150
   0.19277894  0.85013567  0.21569006
   0.32077357  0.67063269  0.44061367
   0.03867341  0.63735892  0.42902508
   0.19799536  0.54587978  0.57447195
   0.29387202  0.72965991  0.77296893
   0.14038518  0.79401535  0.54769924
   0.35189302  1.00658149  0.81005803
   0.44607159  0.92675334  0.62962307
   0.17840731  0.96869258  0.67744165
   0.28267939  0.69439928 -0.05050390
   0.03204203  0.64354162  0.92798058
   0.62115439  0.05132717  0.10280799
   0.83037330  0.19801683  0.24364107
   0.61550564  0.31332223  0.03744491
   0.93984156  0.42543103  0.35880419
   0.01846123  0.39039989  0.18591336
   0.76331886  0.44681731  0.15534147
   0.72879609  0.17551813  0.41373276
   0.48090692  0.14680650  0.45145177
   0.66327706  0.06476391  0.59233285
   0.81982377  0.21512134  0.77707415
   0.61422774  0.33010871  0.54819186
   0.88951677  0.44979869  0.84179745
   1.00001061  0.42285332  0.65565737
   0.73566493  0.45243098  0.68490241
   0.81019318  0.13078235  0.97003809
   0.54961783  0.10382419  0.92582312
   0.54055952  0.56692807  0.07218286
   0.85308653  0.68729496  0.29672113
   0.63884884  0.81874367  0.02752182
   0.83169432  0.96434315  0.34029524
   0.92589253  0.87073260  0.18401837
   0.66201808  0.84588328  0.22297527
   0.79610637  0.57339496  0.46951457
   0.54943737  0.55268688  0.37780074
   0.58053849  0.60461319  0.56153667
   0.83457196  0.70610523  0.81323520
   0.61955260  0.79369745  0.41942262
   0.89522497  0.96659390  0.82860232
   0.93395553  0.84552894  0.66331827
   0.68225425  0.89511216  0.72922319
   0.76815572  0.59681385  0.97797477
   0.52091858  0.64588415  0.89196103
   0.65852837  0.82747163  0.55931621
   0.53013561  0.83814829  0.42264752
   0.86724697  0.23894978  0.08457854
   1.01426697  0.41776697  0.31382610
   0.35498669  0.14762458  0.65005658
   0.28271645  0.67620285  0.71668849
   0.06364800  1.14267582  0.16482227
   0.20096918  1.04464122  0.00088049
   0.66171073  0.38746299  0.85881415
   0.91139571  0.46806558  0.64248541
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954189    0.405269   -0.179155
    -0.000000    9.829572    0.112137
    -0.000000    0.000000   13.980970
   Si   O    H 
    32    64    10
Direct configuration=  1535
   0.16076311  0.17540383 -0.04103611
   0.36496665  0.08708181  0.38164790
   0.14618164  0.40176016  0.10992802
   0.38713367  0.33346040  0.24963175
   0.09417970  0.13899582  0.47745583
   0.42148012  0.14626471  0.85594756
   0.13915370  0.39563133  0.60663650
   0.37652141  0.38010463  0.74239750
   0.14359450  0.69466673  0.01041000
   0.39382458  0.58577429  0.35303136
   0.07750402  0.90649808  0.15034467
   0.35200974  0.83823861  0.23935783
   0.17228502  0.66251486  0.49293778
   0.36003427  0.64362770  0.86069348
   0.05835161  0.90960993  0.60678283
   0.32884283  1.01718949  0.69176119
   0.65218056  0.15092195  1.00870856
   0.85635537  0.12635345  0.34948905
   0.60736509  0.42237261  0.11982327
   0.87424599  0.32378494  0.16933721
   0.62810189  0.17595852  0.50371993
   0.88340651  0.12772930  0.86461144
   0.59935317  0.46024650  0.61818181
   0.77005877  0.37095547  0.78951949
   0.61546716  0.66003821 -0.00452513
   0.91001650  0.58367410  0.38507200
   0.58805750  0.89588571  0.12179069
   0.81532648  0.84226892  0.26318575
   0.64637529  0.63099822  0.45327227
   0.88262184  0.59602473  0.89322833
   0.60641128  0.92269928  0.62994598
   0.83801535  0.85176335  0.75883077
   0.10327660  0.06554349  0.14544058
   0.37111798  0.17684419  0.28392500
   0.10426868  0.31945787  0.01541945
   0.32404380  0.43271097  0.33510215
   0.52181573  0.39782153  0.21525552
   0.28183484  0.35411747  0.15996750
   0.23223751  0.07127652  0.43622386
   0.00889005  0.17073457  0.38408404
   0.01425719  0.03106871  0.53879914
   0.46820728  0.24202791  0.77276484
   0.12577601  0.26632770  0.54138760
   0.36065692  0.48089609  0.82978925
   0.45074865  0.47196642  0.66651701
   0.23981831  0.33735425  0.69549916
   0.29942830  0.23325511 -0.07723758
   0.03693320  0.15291181  0.88231036
   0.15278600  0.57290137  0.09506023
   0.38674281  0.68104021  0.25867206
   0.09137908  0.84427974  0.04645790
   0.39788394  0.92513603  0.33782461
   0.42656218  0.89010324  0.14659407
   0.19240030  0.85073587  0.21625102
   0.31951969  0.67121622  0.44109321
   0.03941021  0.63743863  0.42864871
   0.19707657  0.54695858  0.57625522
   0.29367664  0.73278057  0.77282142
   0.14003904  0.79435582  0.54944479
   0.35243903  1.00691570  0.80864536
   0.44482523  0.92660093  0.63071565
   0.17831337  0.96797188  0.67739092
   0.28264315  0.69413653 -0.04982100
   0.03229942  0.64367305  0.92885943
   0.62194060  0.05237071  0.10321533
   0.82731371  0.19822987  0.24363702
   0.61681962  0.31310446  0.03719883
   0.93874741  0.42405602  0.35874335
   0.01625685  0.38728769  0.18616481
   0.76238845  0.44497780  0.15578058
   0.72860704  0.17442845  0.41416891
   0.48248000  0.14508301  0.45263005
   0.66348788  0.06695375  0.59097340
   0.82058938  0.21598378  0.77750357
   0.61371303  0.33112796  0.54696089
   0.88988377  0.44755975  0.84188328
   0.99912331  0.42188441  0.65596068
   0.73606184  0.45283193  0.68440148
   0.80924669  0.13241344  0.97066917
   0.54910946  0.10504030  0.92678157
   0.54029163  0.56781725  0.07212563
   0.85284417  0.68849359  0.29689410
   0.63877383  0.81945206  0.02688482
   0.83017755  0.96319844  0.33896651
   0.92858428  0.87145262  0.18360415
   0.66351018  0.84671184  0.22428952
   0.79546348  0.57232232  0.47063651
   0.54994166  0.55312138  0.37740419
   0.58125518  0.60374618  0.56147566
   0.83545144  0.70684472  0.81328689
   0.61955863  0.79325026  0.41941836
   0.89430114  0.96643835  0.82957795
   0.93542933  0.84471702  0.66391976
   0.68262383  0.89547237  0.72877142
   0.76707257  0.59580381  0.97773331
   0.52063299  0.64583976  0.89246685
   0.65436399  0.83001458  0.55943332
   0.52821619  0.84191781  0.41887497
   0.87513234  0.23804156  0.08908826
   1.01028897  0.41104313  0.31239935
   0.35092394  0.15304322  0.64804450
   0.28385836  0.67985289  0.71659405
   0.05624764  1.14834226  0.16942123
   0.20434627  1.04313786 -0.00163079
   0.66407141  0.38827597  0.85198918
   0.92207467  0.46277222  0.63657432
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955767    0.399945   -0.181246
    -0.000000    9.828127    0.110793
    -0.000000    0.000000   13.983009
   Si   O    H 
    32    64    10
Direct configuration=  1536
   0.16098901  0.17522127 -0.04000084
   0.36544687  0.08668973  0.38203345
   0.14599634  0.40012365  0.10984970
   0.38759212  0.33187415  0.24973846
   0.09415790  0.13881930  0.47768400
   0.42210850  0.14566972  0.85499761
   0.13978347  0.39581838  0.60657112
   0.37829874  0.38031580  0.74304240
   0.14413907  0.69306070  0.01063965
   0.39411767  0.58679303  0.35273107
   0.07722137  0.90687856  0.15010966
   0.35305897  0.83801207  0.23990823
   0.17161723  0.66248584  0.49275604
   0.36011803  0.64367220  0.86041993
   0.05833821  0.90950178  0.60666308
   0.32865759  1.01888935  0.69169215
   0.65163431  0.15158255  1.00844879
   0.85724470  0.12455739  0.34950385
   0.60617492  0.42244555  0.12029415
   0.87451756  0.32404521  0.16941480
   0.62872024  0.17612926  0.50359109
   0.88280300  0.12909548  0.86518586
   0.59904899  0.45976829  0.61811674
   0.77241454  0.37189672  0.78886845
   0.61440420  0.65994735 -0.00402052
   0.90967490  0.58372530  0.38536093
   0.58768438  0.89620268  0.12204342
   0.81561811  0.84268320  0.26396772
   0.64642138  0.63151250  0.45375063
   0.88185467  0.59593425  0.89330847
   0.60596493  0.92142426  0.62979679
   0.83787562  0.85217833  0.75827468
   0.10543566  0.06548263  0.14545334
   0.37222152  0.17648391  0.28327036
   0.10460132  0.31895844  0.01636646
   0.32464290  0.43189253  0.33492989
   0.52274232  0.39645224  0.21324294
   0.28213190  0.35285115  0.16004800
   0.23152077  0.07154358  0.43652385
   0.00724698  0.17000258  0.38312928
   0.01318795  0.03096462  0.54011737
   0.46758275  0.24237239  0.77275802
   0.12598641  0.26489197  0.54279141
   0.36177393  0.48139733  0.82946187
   0.45195856  0.47216280  0.66628290
   0.23919906  0.33825616  0.69538056
   0.29967528  0.23299215 -0.07762272
   0.03615775  0.15201846  0.88264306
   0.15356259  0.56978553  0.09507154
   0.38458298  0.68080904  0.25935807
   0.09203138  0.84534322  0.04597105
   0.39890219  0.92677507  0.33708318
   0.42606061  0.88947780  0.14771525
   0.19205500  0.85147082  0.21705884
   0.31727283  0.67179198  0.44150434
   0.04054564  0.63780736  0.42854293
   0.19620215  0.54734906  0.57779853
   0.29293008  0.73630532  0.77287705
   0.13965529  0.79513909  0.55096633
   0.35355106  1.00692193  0.80791695
   0.44320391  0.92630531  0.63145932
   0.17854241  0.96721941  0.67707368
   0.28139784  0.69417838 -0.04839591
   0.03271360  0.64424744  0.92971544
   0.62265981  0.05359658  0.10325474
   0.82464491  0.19774940  0.24343094
   0.61887514  0.31199789  0.03671235
   0.93693874  0.42342665  0.35849291
   0.01526877  0.38458155  0.18663948
   0.76157727  0.44367314  0.15629894
   0.72792567  0.17401446  0.41437068
   0.48353701  0.14353039  0.45439829
   0.66315259  0.06981371  0.58933805
   0.82069809  0.21712938  0.77777923
   0.61287260  0.33191731  0.54554676
   0.89089037  0.44547461  0.84250020
   0.99993751  0.42095856  0.65670804
   0.73650896  0.45355308  0.68371397
   0.80800330  0.13395710  0.97139478
   0.54810558  0.10632499  0.92757343
   0.54056493  0.56798054  0.07225120
   0.85248168  0.68962514  0.29687181
   0.63850746  0.81966319  0.02691009
   0.82958620  0.96287760  0.33734037
   0.93095036  0.87194748  0.18283399
   0.66476915  0.84773532  0.22467090
   0.79533328  0.57084738  0.47161231
   0.55102551  0.55307537  0.37738261
   0.58186184  0.60373647  0.56092533
   0.83629270  0.70698551  0.81277081
   0.61931669  0.79248743  0.41931927
   0.89219558  0.96655210  0.83046591
   0.93668427  0.84349798  0.66430614
   0.68261974  0.89608663  0.72892080
   0.76658546  0.59402530  0.97743692
   0.52123206  0.64644812  0.89331081
   0.65500136  0.83365884  0.55778727
   0.52762008  0.84361927  0.41595000
   0.88493745  0.23629548  0.09193528
   1.00931039  0.40735180  0.30725867
   0.34345749  0.15742879  0.64765251
   0.28545150  0.68103376  0.71472958
   0.05180902  1.15062724  0.17405021
   0.20912850  1.04204262 -0.00576656
   0.65949728  0.39108871  0.84883799
   0.91296504  0.46520078  0.62661457
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956822    0.395264   -0.183097
    -0.000000    9.826277    0.109297
    -0.000000    0.000000   13.984736
   Si   O    H 
    32    64    10
Direct configuration=  1537
   0.16122307  0.17540232 -0.03936092
   0.36659316  0.08623204  0.38207520
   0.14577501  0.39916794  0.10987064
   0.38746540  0.33070507  0.24973069
   0.09482870  0.13839441  0.47777449
   0.42290336  0.14473348  0.85486717
   0.14010908  0.39607091  0.60654171
   0.38046353  0.38069550  0.74385682
   0.14426769  0.69200141  0.01031538
   0.39384916  0.58758848  0.35268192
   0.07714414  0.90749956  0.14986259
   0.35388344  0.83871814  0.24072888
   0.17102204  0.66317141  0.49260012
   0.36050218  0.64301297  0.86018060
   0.05840659  0.90868607  0.60677514
   0.32844180  1.01992530  0.69148900
   0.65108063  0.15202333  1.00821892
   0.85782518  0.12356999  0.34914541
   0.60554945  0.42219600  0.12084221
   0.87466020  0.32371754  0.16989735
   0.62869397  0.17661007  0.50343028
   0.88239317  0.13041313  0.86553739
   0.59881027  0.45970343  0.61781524
   0.77390149  0.37315955  0.78748969
   0.61330153  0.66030912 -0.00460554
   0.90877472  0.58344218  0.38509534
   0.58752408  0.89634473  0.12229720
   0.81614217  0.84280881  0.26465027
   0.64645568  0.63205336  0.45424688
   0.88145955  0.59509672  0.89343642
   0.60618606  0.92070466  0.62970286
   0.83759170  0.85238540  0.75778247
   0.10743997  0.06654305  0.14496371
   0.37369224  0.17743012  0.28223634
   0.10497403  0.31829250  0.01769672
   0.32536011  0.43097983  0.33519760
   0.52351782  0.39495975  0.21203458
   0.28259490  0.35161820  0.16071377
   0.23120282  0.07286383  0.43665708
   0.00534006  0.16935812  0.38220907
   0.01215368  0.03054291  0.54117883
   0.46670337  0.24260030  0.77262656
   0.12612099  0.26383444  0.54404763
   0.36191545  0.48211061  0.82925943
   0.45353759  0.47223781  0.66580954
   0.23753627  0.33965475  0.69516109
   0.30059966  0.23234799 -0.07827869
   0.03632857  0.15090602  0.88280459
   0.15491656  0.56664582  0.09516029
   0.38210917  0.68059547  0.25941575
   0.09312762  0.84476113  0.04579678
   0.39910956  0.92879679  0.33644184
   0.42622158  0.88806072  0.14846823
   0.19188758  0.85176406  0.21853413
   0.31446271  0.67127394  0.44140517
   0.04242310  0.63840589  0.42845088
   0.19526067  0.54845532  0.57896780
   0.29290035  0.73952738  0.77337410
   0.14000231  0.79491887  0.55214632
   0.35484106  1.00748888  0.80722152
   0.44182449  0.92547903  0.63176736
   0.17875465  0.96580926  0.67638779
   0.28035194  0.69469146 -0.04713005
   0.03280249  0.64499749  0.93030133
   0.62378271  0.05527317  0.10367255
   0.82201725  0.19742136  0.24314199
   0.62107776  0.31096333  0.03651011
   0.93545491  0.42308351  0.35804731
   0.01574646  0.38138751  0.18744907
   0.76127248  0.44221290  0.15722498
   0.72752656  0.17440689  0.41471018
   0.48373590  0.14213607  0.45581863
   0.66263371  0.07163931  0.58761402
   0.82082573  0.21747421  0.77782353
   0.61302124  0.33209539  0.54369142
   0.89226480  0.44348292  0.84375044
   1.00030848  0.42006106  0.65753779
   0.73747196  0.45387552  0.68369929
   0.80689748  0.13532810  0.97158152
   0.54700618  0.10745419  0.92818251
   0.54160283  0.56783874  0.07307407
   0.85240217  0.68995976  0.29707075
   0.63700705  0.82025393  0.02737559
   0.82892863  0.96317315  0.33552016
   0.93302529  0.87277399  0.18231493
   0.66541751  0.84848771  0.22471132
   0.79590060  0.57112292  0.47232050
   0.55180765  0.55241724  0.37726707
   0.58278557  0.60423849  0.56013840
   0.83620950  0.70686625  0.81266582
   0.61902603  0.79220946  0.41830149
   0.89016282  0.96626217  0.83098819
   0.93725970  0.84204114  0.66456712
   0.68296296  0.89656824  0.72842581
   0.76597941  0.59120995  0.97689655
   0.52234119  0.64801647  0.89406450
   0.65390534  0.83329515  0.55949997
   0.53276566  0.84580495  0.41276557
   0.89344503  0.23269379  0.09115428
   1.00328812  0.40769451  0.30594788
   0.33763764  0.15587942  0.64829604
   0.28354747  0.68404516  0.71416311
   0.05361017  1.14072148  0.17392421
   0.21289200  1.03904946 -0.00968185
   0.65323922  0.39406074  0.84702546
   0.91087507  0.46431690  0.62159976
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958119    0.390190   -0.185316
    -0.000000    9.824033    0.107808
    -0.000000    0.000000   13.986445
   Si   O    H 
    32    64    10
Direct configuration=  1538
   0.16129118  0.17595903 -0.03852509
   0.36814905  0.08573273  0.38216987
   0.14560633  0.39913941  0.11024353
   0.38695265  0.32936429  0.24994685
   0.09516955  0.13758138  0.47819700
   0.42300927  0.14387041  0.85492307
   0.14008155  0.39609239  0.60664042
   0.38191770  0.38112968  0.74446417
   0.14431849  0.69037449  0.01004755
   0.39310356  0.58779182  0.35254223
   0.07695269  0.90785748  0.14946711
   0.35424447  0.83929608  0.24189361
   0.17056012  0.66376833  0.49229707
   0.36158870  0.64204188  0.85981244
   0.05913226  0.90727195  0.60726524
   0.32864631  1.02033571  0.69094192
   0.65065730  0.15279539  1.00789972
   0.85813614  0.12244870  0.34836554
   0.60603461  0.42274152  0.12147588
   0.87431694  0.32282118  0.17033161
   0.62887521  0.17695819  0.50333629
   0.88231230  0.13133839  0.86602112
   0.59822095  0.45984470  0.61735389
   0.77504593  0.37419078  0.78641996
   0.61263214  0.65953846 -0.00541635
   0.90729464  0.58319694  0.38526042
   0.58785543  0.89691223  0.12295522
   0.81711324  0.84274825  0.26512169
   0.64601432  0.63273481  0.45499242
   0.88128747  0.59440136  0.89342894
   0.60639233  0.92099887  0.62943876
   0.83841160  0.85263668  0.75712309
   0.10974744  0.06825425  0.14456375
   0.37449239  0.17800727  0.28182486
   0.10510790  0.31732351  0.01881236
   0.32668420  0.43014586  0.33584725
   0.52334709  0.39275785  0.21111608
   0.28311866  0.35041425  0.16176079
   0.23077945  0.07455107  0.43689757
   0.00370671  0.16919750  0.38153010
   0.01134584  0.03040508  0.54152111
   0.46615363  0.24337231  0.77199241
   0.12597247  0.26354776  0.54469499
   0.36168504  0.48266252  0.82979117
   0.45461481  0.47231507  0.66550763
   0.23647682  0.34117618  0.69515018
   0.30223771  0.23143093 -0.07944620
   0.03728221  0.14963780  0.88367384
   0.15698680  0.56310563  0.09505921
   0.38027728  0.68031010  0.25939540
   0.09411179  0.84378006  0.04591570
   0.39973083  0.93051159  0.33574498
   0.42658165  0.88638361  0.14967169
   0.19154893  0.85224865  0.22033606
   0.31102960  0.67055450  0.44114856
   0.04408876  0.63877001  0.42802815
   0.19372754  0.54927442  0.57940899
   0.29334823  0.74180919  0.77356346
   0.14073643  0.79563212  0.55232273
   0.35600139  1.00779641  0.80657629
   0.44022311  0.92473598  0.63267109
   0.17920595  0.96408506  0.67585218
   0.27962086  0.69534377 -0.04584331
   0.03228164  0.64486384  0.93056706
   0.62510905  0.05759640  0.10387418
   0.82038134  0.19655884  0.24298318
   0.62273472  0.30869815  0.03618336
   0.93438122  0.42244701  0.35735180
   0.01729689  0.37819630  0.18845695
   0.76084940  0.44155477  0.15827147
   0.72775777  0.17441307  0.41441491
   0.48339985  0.14039457  0.45713754
   0.66286072  0.07322217  0.58627236
   0.82037182  0.21830653  0.77773690
   0.61267128  0.33266049  0.54208221
   0.89440925  0.44125576  0.84477600
   1.00074096  0.41976237  0.65851403
   0.73921859  0.45330063  0.68340893
   0.80511661  0.13563502  0.97150316
   0.54595017  0.10786432  0.92798490
   0.54245189  0.56745059  0.07369001
   0.85224933  0.68994505  0.29734788
   0.63538024  0.82023700  0.02816931
   0.82823045  0.96451855  0.33476839
   0.93427398  0.87290114  0.18254717
   0.66618743  0.84913516  0.22365592
   0.79690457  0.57103026  0.47281799
   0.55246540  0.55233905  0.37680923
   0.58457567  0.60452262  0.55940830
   0.83676799  0.70680395  0.81226963
   0.61830925  0.79251489  0.41767944
   0.88775322  0.96637560  0.83119626
   0.93743524  0.84049575  0.66475093
   0.68249815  0.89777899  0.72821949
   0.76552440  0.58848942  0.97639661
   0.52305732  0.64997129  0.89453273
   0.65593389  0.82998878  0.55854443
   0.53891383  0.84810609  0.40826047
   0.89878710  0.23025996  0.08959358
   0.99746231  0.40587745  0.30798722
   0.33270101  0.15345141  0.64874702
   0.28144247  0.69144135  0.71237227
   0.05753308  1.12747895  0.17507703
   0.21556359  1.03532793 -0.01251627
   0.64774769  0.39421352  0.84285728
   0.91848132  0.45753750  0.62205214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959092    0.385250   -0.187168
    -0.000000    9.822051    0.105977
    -0.000000    0.000000   13.988451
   Si   O    H 
    32    64    10
Direct configuration=  1539
   0.16081564  0.17660946 -0.03759005
   0.36985046  0.08524423  0.38181111
   0.14575765  0.39943920  0.11053935
   0.38656882  0.32869756  0.25066653
   0.09528050  0.13701876  0.47851824
   0.42297626  0.14287454  0.85543029
   0.14042328  0.39561217  0.60721538
   0.38285851  0.38163131  0.74431186
   0.14428860  0.68832143  0.00982662
   0.39199582  0.58783430  0.35239137
   0.07733935  0.90856444  0.14868849
   0.35385694  0.83986030  0.24275899
   0.17107991  0.66376663  0.49200305
   0.36299811  0.64071039  0.85974794
   0.05998432  0.90577096  0.60799123
   0.32861043  1.02023099  0.69045126
   0.65028815  0.15339258  1.00776273
   0.85815262  0.12122655  0.34722652
   0.60621936  0.42338060  0.12215766
   0.87344076  0.32250054  0.17075343
   0.62862865  0.17648200  0.50251051
   0.88265430  0.13125281  0.86606829
   0.59867772  0.46061249  0.61665582
   0.77595701  0.37535215  0.78566383
   0.61296346  0.65865395 -0.00640100
   0.90551017  0.58317059  0.38512985
   0.58868104  0.89714484  0.12350818
   0.81779618  0.84282722  0.26519246
   0.64551283  0.63386570  0.45574594
   0.88222184  0.59431358  0.89342639
   0.60636999  0.92172282  0.62907471
   0.83892860  0.85347149  0.75655956
   0.11293349  0.06872781  0.14401065
   0.37498731  0.17846954  0.28184657
   0.10638453  0.31558762  0.01947087
   0.32860252  0.42963765  0.33689755
   0.52347375  0.39066600  0.21063189
   0.28305789  0.34935332  0.16236879
   0.23116906  0.07553162  0.43686977
   0.00199244  0.16885308  0.38089272
   0.00973708  0.03100405  0.54164041
   0.46531831  0.24369345  0.77135657
   0.12514536  0.26285380  0.54553051
   0.36182386  0.48368144  0.83059807
   0.45565946  0.47185681  0.66577952
   0.23626626  0.34134771  0.69552107
   0.30412012  0.23024400 -0.08078539
   0.03885484  0.14945537  0.88401112
   0.15845980  0.55945299  0.09505914
   0.37819727  0.67982747  0.25920517
   0.09534925  0.84201069  0.04611502
   0.40034557  0.93302834  0.33550268
   0.42725135  0.88524542  0.15043083
   0.19142490  0.85254801  0.22202211
   0.30770703  0.66905384  0.44065203
   0.04523192  0.63911128  0.42773526
   0.19174376  0.54993654  0.57987698
   0.29400645  0.74278601  0.77348622
   0.14181555  0.79674908  0.55212430
   0.35766486  1.00788096  0.80577631
   0.43940732  0.92443392  0.63315303
   0.17974571  0.96283599  0.67487139
   0.27989722  0.69590551 -0.04490356
   0.03166965  0.64448659  0.93134201
   0.62656634  0.06017616  0.10319755
   0.81944502  0.19670059  0.24293183
   0.62471862  0.30691933  0.03523813
   0.93254411  0.42238804  0.35707100
   0.01933411  0.37581598  0.18916085
   0.76070610  0.44144322  0.15969543
   0.72918266  0.17482617  0.41395353
   0.48243051  0.13943160  0.45796923
   0.66360320  0.07331115  0.58591782
   0.81927361  0.21827564  0.77734484
   0.61252889  0.33332922  0.54096913
   0.89619150  0.43905537  0.84534994
   1.00125821  0.42069382  0.65914625
   0.74089454  0.45262378  0.68239375
   0.80331299  0.13528906  0.97117415
   0.54561852  0.10838946  0.92735409
   0.54301716  0.56762403  0.07461990
   0.85095722  0.69008712  0.29741210
   0.63335545  0.82025225  0.02857956
   0.82768773  0.96546733  0.33451993
   0.93457843  0.87262938  0.18270367
   0.66656540  0.84976483  0.22259077
   0.79827718  0.57012352  0.47249849
   0.55246905  0.55301105  0.37638839
   0.58614660  0.60457627  0.55885158
   0.83747851  0.70720242  0.81179277
   0.61810580  0.79217812  0.41644442
   0.88476484  0.96749653  0.83089946
   0.93787759  0.83950671  0.66472049
   0.68240530  0.89860959  0.72802273
   0.76591313  0.58562337  0.97619986
   0.52399344  0.65155660  0.89524066
   0.66221819  0.82642215  0.55620572
   0.53538990  0.85295050  0.40480377
   0.90364042  0.23120339  0.08911700
   0.99507179  0.40776372  0.30732979
   0.32891556  0.15144037  0.64536006
   0.27628039  0.70039885  0.71389766
   0.04896295  1.12891607  0.18612594
   0.21580751  1.03523025 -0.01420480
   0.64351685  0.39611077  0.83658253
   0.93017092  0.45163933  0.62549535
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960120    0.380055   -0.189027
    -0.000000    9.820184    0.104502
    -0.000000    0.000000   13.990516
   Si   O    H 
    32    64    10
Direct configuration=  1540
   0.16037520  0.17689105 -0.03640246
   0.37087095  0.08559478  0.38095627
   0.14511846  0.39958782  0.11075720
   0.38605296  0.32825588  0.25110088
   0.09516014  0.13649939  0.47859508
   0.42211414  0.14188665  0.85599090
   0.14092173  0.39573797  0.60791981
   0.38313830  0.38209250  0.74418114
   0.14382733  0.68625933  0.01004834
   0.39057937  0.58696781  0.35198055
   0.07798974  0.90967018  0.14764487
   0.35341104  0.84133707  0.24385147
   0.17160594  0.66374290  0.49200357
   0.36479255  0.63975775  0.85964170
   0.06053123  0.90478813  0.60908574
   0.32823957  1.01993943  0.68986350
   0.64993338  0.15384558  1.00793203
   0.85825540  0.11996222  0.34641533
   0.60651374  0.42378186  0.12290953
   0.87212187  0.32161324  0.17114215
   0.62875449  0.17580171  0.50186516
   0.88249942  0.13068871  0.86632054
   0.59915287  0.46126081  0.61625485
   0.77700835  0.37628493  0.78501231
   0.61398894  0.65770400 -0.00777201
   0.90358932  0.58295671  0.38450898
   0.58908905  0.89755356  0.12371829
   0.81867659  0.84358376  0.26481560
   0.64451592  0.63503688  0.45651696
   0.88230734  0.59404557  0.89353990
   0.60686971  0.92287905  0.62818851
   0.83958430  0.85408155  0.75641859
   0.11465223  0.06951437  0.14398419
   0.37546318  0.17930317  0.28199838
   0.10732171  0.31395213  0.02057202
   0.33111022  0.42849341  0.33796222
   0.52316889  0.38854757  0.21044178
   0.28301436  0.34813186  0.16257254
   0.23210251  0.07660948  0.43665482
   0.00018483  0.16849862  0.38066643
   0.00767790  0.03192492  0.54222748
   0.46466989  0.24397222  0.77057414
   0.12485259  0.26246445  0.54630012
   0.36163017  0.48441229  0.83106092
   0.45669747  0.47172002  0.66628694
   0.23622314  0.34141005  0.69588249
   0.30596579  0.22885163 -0.08194707
   0.03995271  0.14997916  0.88485821
   0.15931137  0.55680979  0.09510620
   0.37631636  0.67916477  0.25906868
   0.09753262  0.84086637  0.04610016
   0.40160909  0.93484223  0.33546857
   0.42796930  0.88506375  0.15085147
   0.19180431  0.85266813  0.22320287
   0.30570348  0.66770825  0.43939114
   0.04539051  0.63981063  0.42662104
   0.18949897  0.55023989  0.57986151
   0.29497303  0.74332133  0.77316258
   0.14250250  0.79733799  0.55190414
   0.35939999  1.00818662  0.80477537
   0.43884874  0.92386417  0.63365122
   0.17982703  0.96140952  0.67405461
   0.28114201  0.69487130 -0.04510979
   0.03075933  0.64441875  0.93173772
   0.62744485  0.06175233  0.10300806
   0.81862048  0.19744325  0.24309817
   0.62682058  0.30607961  0.03459013
   0.93012630  0.42316053  0.35717533
   0.02053492  0.37451196  0.18954779
   0.76020481  0.44145600  0.16109650
   0.73015050  0.17447118  0.41342923
   0.48138409  0.13941683  0.45875111
   0.66501585  0.07342846  0.58550577
   0.81855602  0.21843777  0.77695408
   0.61287192  0.33407621  0.54025417
   0.89759349  0.43759147  0.84669166
   1.00135671  0.42107065  0.66025385
   0.74265485  0.45133659  0.68188995
   0.80172293  0.13499129  0.97065101
   0.54576359  0.10962705  0.92629206
   0.54289007  0.56733649  0.07583907
   0.85116461  0.68942650  0.29755910
   0.63185305  0.81901694  0.02898225
   0.82756849  0.96666072  0.33436658
   0.93474121  0.87189595  0.18286896
   0.66676446  0.85007477  0.22121711
   0.79963181  0.56906977  0.47281414
   0.55203762  0.55469853  0.37642913
   0.58692991  0.60478166  0.55892610
   0.83678833  0.70830803  0.81119273
   0.61826186  0.79246244  0.41551364
   0.88201186  0.96933059  0.83103779
   0.93828088  0.83865456  0.66470139
   0.68235128  0.89973764  0.72831598
   0.76558120  0.58333028  0.97523273
   0.52482478  0.65303878  0.89513963
   0.66241721  0.82615579  0.55778709
   0.53495756  0.84924131  0.40052275
   0.90497743  0.23549854  0.09095888
   1.00121979  0.40837408  0.30311963
   0.32754467  0.15234201  0.64391416
   0.27028946  0.70404424  0.71518624
   0.04703952  1.12607431  0.18953926
   0.20980094  1.03393665 -0.01557594
   0.64112206  0.39568588  0.83127850
   0.92489771  0.45596740  0.61987717
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960641    0.374453   -0.190461
    -0.000000    9.818739    0.103417
    -0.000000    0.000000   13.992769
   Si   O    H 
    32    64    10
Direct configuration=  1541
   0.16046629  0.17722515 -0.03523575
   0.37237080  0.08641753  0.38050662
   0.14493244  0.39944465  0.11103296
   0.38540377  0.32816358  0.25139685
   0.09507395  0.13585658  0.47878923
   0.42057486  0.14115531  0.85627547
   0.14110075  0.39644299  0.60883633
   0.38256967  0.38263227  0.74399666
   0.14347501  0.68360397  0.01051080
   0.38951694  0.58581115  0.35203843
   0.07876328  0.91038486  0.14685617
   0.35213182  0.84276083  0.24469599
   0.17233797  0.66401325  0.49215434
   0.36632950  0.63991705  0.85978280
   0.06033496  0.90411779  0.61013731
   0.32787064  1.01996535  0.68938388
   0.65015929  0.15423812  1.00852389
   0.85795955  0.11951387  0.34547209
   0.60719571  0.42400122  0.12321687
   0.87057420  0.31937026  0.17152877
   0.62827399  0.17544668  0.50097166
   0.88205003  0.12997336  0.86711920
   0.59981591  0.46132110  0.61612257
   0.77814522  0.37707713  0.78432994
   0.61508721  0.65687244 -0.00861925
   0.90255149  0.58261989  0.38378834
   0.58940630  0.89794437  0.12434749
   0.81974205  0.84399978  0.26406112
   0.64289771  0.63612399  0.45705650
   0.88278325  0.59346326  0.89375662
   0.60728599  0.92365332  0.62760899
   0.84042819  0.85449469  0.75617202
   0.11414613  0.07161775  0.14411354
   0.37588829  0.18003845  0.28220523
   0.10846379  0.31196561  0.02197483
   0.33343940  0.42720729  0.33853222
   0.52214117  0.38661418  0.21060592
   0.28244416  0.34732383  0.16198927
   0.23358937  0.07721802  0.43626335
  -0.00142207  0.16775368  0.38103023
   0.00632712  0.03238206  0.54260963
   0.46448688  0.24416266  0.76970818
   0.12478973  0.26176391  0.54599078
   0.36198389  0.48524500  0.83175351
   0.45799595  0.47089510  0.66716686
   0.23614891  0.34188102  0.69671012
   0.30733976  0.22704959 -0.08309125
   0.04161373  0.15077185  0.88563459
   0.15954007  0.55566783  0.09485640
   0.37474987  0.67866877  0.25896563
   0.09973893  0.83869228  0.04587868
   0.40230798  0.93622550  0.33526199
   0.42988740  0.88538979  0.15106091
   0.19282254  0.85242768  0.22470858
   0.30542095  0.66604793  0.43768106
   0.04621832  0.64083612  0.42568282
   0.18625846  0.55033826  0.57927317
   0.29645294  0.74376313  0.77343286
   0.14293404  0.79698751  0.55156545
   0.36094446  1.00910145  0.80356961
   0.43827376  0.92348151  0.63410813
   0.18005314  0.96061643  0.67333853
   0.28265356  0.69372694 -0.04533155
   0.02911313  0.64429895  0.93159733
   0.62777835  0.06141312  0.10233704
   0.81821132  0.19872768  0.24264862
   0.62816375  0.30600947  0.03402507
   0.92808915  0.42356960  0.35741074
   0.02288133  0.37316407  0.19060622
   0.76015289  0.44178376  0.16196525
   0.73193139  0.17335470  0.41312122
   0.48009037  0.13960501  0.45937766
   0.66616913  0.07212887  0.58586567
   0.81809205  0.21855429  0.77655464
   0.61258893  0.33399966  0.53976982
   0.89932826  0.43640410  0.84816273
   1.00084083  0.42199856  0.66084310
   0.74312471  0.45039205  0.68147799
   0.80096447  0.13495831  0.96994064
   0.54597991  0.11065938  0.92525453
   0.54325091  0.56677021  0.07722967
   0.85138921  0.68788909  0.29864967
   0.62994233  0.81735607  0.02893954
   0.82783088  0.96787797  0.33413949
   0.93449523  0.87148773  0.18262999
   0.66727489  0.84992158  0.21993751
   0.80025453  0.56815261  0.47286813
   0.55113403  0.55753507  0.37626294
   0.58725702  0.60465022  0.55922883
   0.83640955  0.70907404  0.81042256
   0.61899013  0.79218260  0.41460019
   0.87987769  0.97051104  0.83109452
   0.93798045  0.83748161  0.66518021
   0.68236511  0.90035409  0.72925458
   0.76500226  0.58058484  0.97433831
   0.52532710  0.65447241  0.89503227
   0.66090300  0.82574615  0.56144169
   0.53888836  0.84233981  0.39935336
   0.90312633  0.23853755  0.09108282
   1.00457267  0.40904231  0.30156822
   0.33178543  0.15078648  0.64293130
   0.26252536  0.70541391  0.71127273
   0.05026386  1.11791499  0.18817801
   0.20323331  1.03623619 -0.01537311
   0.64386107  0.39801981  0.82577687
   0.92021514  0.45674718  0.61727077
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961217    0.369977   -0.192211
    -0.000000    9.817472    0.102007
    -0.000000    0.000000   13.995262
   Si   O    H 
    32    64    10
Direct configuration=  1542
   0.16102302  0.17820984 -0.03407295
   0.37419204  0.08640850  0.37990583
   0.14490899  0.39939082  0.11158184
   0.38466518  0.32943418  0.25122623
   0.09546070  0.13493944  0.47873704
   0.41879226  0.14059706  0.85692892
   0.14056197  0.39664756  0.60956787
   0.38148727  0.38369287  0.74341504
   0.14373381  0.68178694  0.01119193
   0.38876923  0.58366939  0.35201031
   0.07909349  0.91058781  0.14636225
   0.35108916  0.84388280  0.24562466
   0.17305685  0.66414469  0.49256062
   0.36731400  0.64147654  0.85946200
   0.06082234  0.90415123  0.61125767
   0.32769955  1.01980444  0.68867889
   0.65100712  0.15459677  1.00909205
   0.85726241  0.11974056  0.34486386
   0.60849135  0.42417662  0.12294378
   0.86972413  0.31687488  0.17245175
   0.62789918  0.17547044  0.50007363
   0.88184632  0.12903254  0.86781257
   0.60041821  0.46056475  0.61559999
   0.77905253  0.37834675  0.78392599
   0.61603025  0.65561090 -0.00945954
   0.90176898  0.58216337  0.38332663
   0.59025656  0.89815314  0.12467551
   0.82061013  0.84455806  0.26361998
   0.64169183  0.63735079  0.45732473
   0.88324249  0.59333744  0.89377587
   0.60772882  0.92432683  0.62688283
   0.84064935  0.85425391  0.75565596
   0.11311405  0.07345684  0.14374146
   0.37712786  0.17935966  0.28254538
   0.11000511  0.31016129  0.02267779
   0.33547711  0.42617972  0.33919933
   0.52120008  0.38487920  0.21111802
   0.28166679  0.34620599  0.16120467
   0.23541439  0.07871194  0.43619932
  -0.00226987  0.16757155  0.38101249
   0.00523761  0.03305425  0.54353956
   0.46438428  0.24413598  0.76876590
   0.12538917  0.26091714  0.54595355
   0.36292478  0.48482603  0.83243465
   0.45841412  0.46945941  0.66823217
   0.23716358  0.34208235  0.69838198
   0.30849507  0.22491362 -0.08387432
   0.04336029  0.15148222  0.88580135
   0.16008039  0.55604219  0.09341329
   0.37254545  0.67786127  0.25839762
   0.10115129  0.83598101  0.04515731
   0.40269453  0.93681944  0.33492520
   0.43186182  0.88596138  0.15072760
   0.19346590  0.85159586  0.22557915
   0.30511355  0.66427829  0.43589138
   0.04668674  0.64144658  0.42384645
   0.18351469  0.54947863  0.57891447
   0.29755094  0.74409921  0.77343191
   0.14348789  0.79630112  0.55120610
   0.36199791  1.00881865  0.80222958
   0.43785412  0.92287177  0.63471717
   0.17959002  0.96052214  0.67275835
   0.28359086  0.69235777 -0.04524112
   0.02697457  0.64390169  0.93138475
   0.62817928  0.06082702  0.10222738
   0.81833154  0.20021157  0.24278934
   0.62894247  0.30583101  0.03414514
   0.92640819  0.42395556  0.35706000
   0.02588994  0.37219401  0.19119511
   0.76048887  0.44228338  0.16264337
   0.73329069  0.17190604  0.41259435
   0.47900281  0.13922625  0.45961284
   0.66682974  0.07041915  0.58587821
   0.81736224  0.21888620  0.77621512
   0.61286329  0.33423719  0.53928795
   0.90017305  0.43602523  0.84942631
   0.99999494  0.42275875  0.66129184
   0.74371556  0.44888216  0.68067516
   0.80041327  0.13561215  0.96923413
   0.54646997  0.11155300  0.92423437
   0.54386786  0.56640604  0.07824694
   0.85131480  0.68703646  0.29935339
   0.62719465  0.81547939  0.02918145
   0.82820888  0.96908053  0.33404743
   0.93421628  0.87017641  0.18228299
   0.66782919  0.84905855  0.21873875
   0.79977978  0.56794348  0.47302672
   0.54968983  0.55991169  0.37609628
   0.58743777  0.60411508  0.55994253
   0.83595728  0.70950747  0.80980657
   0.61961322  0.79205317  0.41466195
   0.87862231  0.97127438  0.83110222
   0.93817651  0.83646854  0.66606510
   0.68303264  0.90000528  0.73021088
   0.76452328  0.57935628  0.97336241
   0.52524639  0.65565209  0.89445551
   0.65766653  0.82602524  0.56426768
   0.53597988  0.83814963  0.39839362
   0.90114208  0.24599032  0.08617991
   0.99862478  0.41214391  0.30409221
   0.33514861  0.14915664  0.64116721
   0.26005598  0.70716819  0.71311975
   0.05303655  1.11182194  0.18690955
   0.19749915  1.03786742 -0.01105902
   0.64373894  0.39802033  0.82255798
   0.92073703  0.45518877  0.62131359
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962422    0.365584   -0.193814
    -0.000000    9.815960    0.101003
    -0.000000    0.000000   13.997505
   Si   O    H 
    32    64    10
Direct configuration=  1543
   0.16184067  0.17908272 -0.03386340
   0.37539766  0.08655266  0.37950907
   0.14398860  0.39942875  0.11213088
   0.38393484  0.33059657  0.25099335
   0.09587204  0.13434403  0.47882482
   0.41765116  0.14047415  0.85777879
   0.14012093  0.39605493  0.61044251
   0.38075955  0.38407380  0.74280078
   0.14460311  0.67952159  0.01172181
   0.38755460  0.58173757  0.35213684
   0.07898022  0.91063019  0.14585835
   0.35044984  0.84456028  0.24642488
   0.17359742  0.66349382  0.49293435
   0.36798406  0.64341685  0.85911656
   0.06071552  0.90439228  0.61280511
   0.32694911  1.02015674  0.68778363
   0.65169276  0.15491414  1.00918818
   0.85627875  0.12025674  0.34417413
   0.60946326  0.42420095  0.12241282
   0.86901158  0.31450991  0.17313198
   0.62779122  0.17610867  0.49928099
   0.88248441  0.12805101  0.86864439
   0.60111967  0.45951051  0.61483262
   0.78020544  0.37972309  0.78368111
   0.61601651  0.65431859 -0.01026528
   0.90108486  0.58180661  0.38276600
   0.59089032  0.89877346  0.12492381
   0.82057182  0.84433360  0.26306071
   0.64111301  0.63888911  0.45727457
   0.88370508  0.59368048  0.89326504
   0.60805612  0.92503047  0.62617039
   0.84069385  0.85432654  0.75484678
   0.11264241  0.07502361  0.14285365
   0.37825108  0.17835140  0.28302160
   0.11160950  0.30849474  0.02297415
   0.33710102  0.42531786  0.33995916
   0.52071209  0.38360132  0.21213328
   0.28139308  0.34512567  0.16056655
   0.23647340  0.08076562  0.43633756
  -0.00145954  0.16745612  0.38160345
   0.00378875  0.03286996  0.54478517
   0.46500785  0.24393905  0.76777317
   0.12536271  0.26063481  0.54520882
   0.36313147  0.48470135  0.83364492
   0.45900965  0.46902130  0.66967719
   0.23873264  0.34262045  0.69975813
   0.30885695  0.22364163 -0.08392012
   0.04451306  0.15204419  0.88579693
   0.16059729  0.55716134  0.09152550
   0.37008379  0.67725420  0.25779799
   0.10339690  0.83309221  0.04474073
   0.40343260  0.93674343  0.33457395
   0.43394130  0.88616711  0.15028558
   0.19380908  0.85054955  0.22636169
   0.30575314  0.66329806  0.43429359
   0.04696862  0.64119723  0.42180028
   0.18112727  0.54822381  0.57845407
   0.29863419  0.74382462  0.77327415
   0.14386167  0.79535027  0.55050645
   0.36292838  1.00899537  0.80151610
   0.43828154  0.92146221  0.63545726
   0.17901963  0.96126712  0.67233837
   0.28534314  0.69036088 -0.04510444
   0.02552017  0.64395539  0.93075248
   0.62856281  0.06007165  0.10243290
   0.81818097  0.20134808  0.24304393
   0.62961636  0.30644029  0.03446539
   0.92624257  0.42333376  0.35637779
   0.02889177  0.37173547  0.19173528
   0.76079440  0.44325828  0.16354057
   0.73410515  0.17064632  0.41175123
   0.47838870  0.13903893  0.45973448
   0.66792638  0.06836905  0.58621227
   0.81696811  0.21974801  0.77579783
   0.61213600  0.33483521  0.53987313
   0.90013687  0.43597497  0.85042673
   0.99907009  0.42382337  0.66164873
   0.74407469  0.44788096  0.67947821
   0.80021216  0.13535687  0.96755592
   0.54742326  0.11256307  0.92360333
   0.54416204  0.56563775  0.07945658
   0.85131862  0.68669078  0.30033155
   0.62471846  0.81346307  0.02901849
   0.82909305  0.96967228  0.33426048
   0.93376308  0.86928291  0.18223675
   0.66885942  0.84890665  0.21855339
   0.79894638  0.56792351  0.47313061
   0.54889282  0.56223033  0.37599650
   0.58728108  0.60443508  0.56054456
   0.83553928  0.71004622  0.80929798
   0.62045371  0.79141586  0.41486871
   0.87712123  0.97133745  0.83054712
   0.93835534  0.83562944  0.66683289
   0.68289526  0.89899333  0.73097698
   0.76420800  0.57893721  0.97212491
   0.52503122  0.65735418  0.89349653
   0.65616228  0.82453115  0.56579016
   0.52971945  0.83197173  0.39884364
   0.89818788  0.25356944  0.08012875
   0.98723985  0.41678341  0.31026815
   0.33637047  0.15218295  0.63886857
   0.26102911  0.70928049  0.71585124
   0.04837435  1.11495079  0.18981934
   0.19574349  1.03913187 -0.00526762
   0.64556200  0.39883676  0.82220666
   0.91981195  0.45230863  0.62698769
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963454    0.361009   -0.195057
    -0.000000    9.814226    0.100366
    -0.000000    0.000000   13.999144
   Si   O    H 
    32    64    10
Direct configuration=  1544
   0.16233450  0.17950045 -0.03390900
   0.37702403  0.08714301  0.37966882
   0.14322492  0.39888166  0.11310524
   0.38285839  0.33137309  0.25052160
   0.09577294  0.13369194  0.47876308
   0.41701812  0.14042321  0.85794413
   0.13948673  0.39518595  0.61154519
   0.37977809  0.38383744  0.74255060
   0.14502818  0.67766480  0.01218935
   0.38644358  0.58011576  0.35220313
   0.07881216  0.91035614  0.14564628
   0.35013757  0.84489347  0.24704048
   0.17385685  0.66245338  0.49362464
   0.36857854  0.64526909  0.85870956
   0.06002203  0.90483357  0.61364863
   0.32597347  1.02027733  0.68657659
   0.65259498  0.15439914  1.00884845
   0.85512603  0.12121849  0.34348593
   0.61011152  0.42430429  0.12163569
   0.86866037  0.31187323  0.17372026
   0.62730100  0.17761711  0.49871235
   0.88330026  0.12706328  0.86922395
   0.60183571  0.45824462  0.61418436
   0.78077470  0.38131861  0.78349311
   0.61658234  0.65324933 -0.01093762
   0.90009685  0.58161009  0.38247312
   0.59155379  0.89978406  0.12482487
   0.81979446  0.84412395  0.26281166
   0.64125507  0.64069847  0.45749231
   0.88380902  0.59418998  0.89260882
   0.60851437  0.92584081  0.62554746
   0.84030918  0.85475689  0.75450551
   0.11222570  0.07656279  0.14236556
   0.37904556  0.17749707  0.28374217
   0.11318420  0.30642358  0.02348144
   0.33877667  0.42466801  0.34049123
   0.52034550  0.38253823  0.21266900
   0.28148699  0.34426512  0.15966689
   0.23739264  0.08261972  0.43695940
   0.00003548  0.16678327  0.38211088
   0.00276723  0.03279232  0.54644154
   0.46557784  0.24431037  0.76641046
   0.12545468  0.25996231  0.54435401
   0.36325279  0.48531988  0.83509833
   0.45989553  0.46862537  0.66972246
   0.23935973  0.34335563  0.70083154
   0.30884756  0.22329871 -0.08363535
   0.04540238  0.15380882  0.88608780
   0.16151949  0.55891976  0.08977128
   0.36822331  0.67671903  0.25743993
   0.10538148  0.83068473  0.04444067
   0.40398975  0.93657285  0.33475896
   0.43581432  0.88643765  0.15055147
   0.19393291  0.85009916  0.22699194
   0.30636384  0.66159947  0.43249972
   0.04703981  0.64078149  0.42012590
   0.17864135  0.54768635  0.57813849
   0.29981876  0.74245113  0.77365162
   0.14413232  0.79473115  0.55031387
   0.36451595  1.00878618  0.80092196
   0.43882507  0.92073344  0.63577974
   0.17877668  0.96204029  0.67277356
   0.28677265  0.68906306 -0.04550970
   0.02469478  0.64501020  0.93002794
   0.62866196  0.05956223  0.10224300
   0.81844536  0.20249662  0.24362926
   0.62926272  0.30800300  0.03514217
   0.92450099  0.42340992  0.35588748
   0.03157387  0.37177336  0.19237257
   0.76127786  0.44513632  0.16362835
   0.73547086  0.17006077  0.41120096
   0.47802999  0.13851751  0.45970073
   0.66934695  0.06624084  0.58646301
   0.81624394  0.21996021  0.77547836
   0.61098822  0.33568361  0.54028108
   0.89954230  0.43620497  0.85161050
   0.99777234  0.42462539  0.66153761
   0.74446921  0.44679226  0.67853811
   0.80009197  0.13551358  0.96595180
   0.54811220  0.11432268  0.92308774
   0.54474773  0.56479166  0.08068249
   0.85136703  0.68735804  0.30079476
   0.62284618  0.81142439  0.02902328
   0.83002801  0.96959629  0.33385393
   0.93328071  0.86806594  0.18260617
   0.67069513  0.84743493  0.21823208
   0.79789367  0.56828752  0.47300484
   0.54747832  0.56490279  0.37595814
   0.58766184  0.60490593  0.56129846
   0.83511871  0.70987061  0.80904351
   0.62062646  0.79098935  0.41533717
   0.87576296  0.97040318  0.83016088
   0.93775114  0.83489608  0.66743565
   0.68177826  0.89781821  0.73120318
   0.76432511  0.57881720  0.97041693
   0.52492407  0.65866488  0.89242016
   0.65892416  0.82152909  0.56285490
   0.52416138  0.82767283  0.39803510
   0.89181490  0.26109994  0.07358242
   0.99202408  0.42103798  0.30606930
   0.33655465  0.15285544  0.63681954
   0.26528814  0.71123560  0.71841221
   0.04591365  1.12148285  0.19032717
   0.19708043  1.04007746  0.00003752
   0.64754456  0.39956221  0.82491490
   0.91692795  0.45091791  0.62940468
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964574    0.356566   -0.196734
    -0.000000    9.813146    0.099740
    -0.000000    0.000000   14.000567
   Si   O    H 
    32    64    10
Direct configuration=  1545
   0.16313430  0.17943969 -0.03382906
   0.37855087  0.08730561  0.37964874
   0.14274348  0.39868805  0.11389745
   0.38155983  0.33181602  0.24968291
   0.09507091  0.13280803  0.47880841
   0.41635604  0.14079872  0.85744800
   0.13918603  0.39403359  0.61222079
   0.37880101  0.38429040  0.74252291
   0.14584335  0.67569329  0.01209610
   0.38597580  0.57853536  0.35194144
   0.07892462  0.90939078  0.14561526
   0.34999303  0.84494055  0.24749546
   0.17347376  0.66134879  0.49412103
   0.36896592  0.64698947  0.85830981
   0.05910376  0.90527376  0.61446663
   0.32541835  1.02030085  0.68564970
   0.65319629  0.15416869  1.00858683
   0.85439128  0.12256209  0.34270192
   0.61048470  0.42454678  0.12076707
   0.86874643  0.30949527  0.17392083
   0.62625824  0.17913942  0.49816439
   0.88442255  0.12580277  0.86975089
   0.60253388  0.45748807  0.61351810
   0.78116611  0.38270069  0.78290636
   0.61700206  0.65219307 -0.01166522
   0.89909226  0.58130127  0.38262487
   0.59206887  0.90126556  0.12455415
   0.81924279  0.84389445  0.26209460
   0.64167106  0.64161031  0.45808734
   0.88370356  0.59509029  0.89199797
   0.60913540  0.92638152  0.62483394
   0.83961200  0.85528692  0.75416744
   0.11234707  0.07827420  0.14249229
   0.37960435  0.17647015  0.28460043
   0.11402249  0.30566390  0.02403937
   0.34045638  0.42489626  0.34054165
   0.52069070  0.38124549  0.21296524
   0.28207630  0.34336589  0.15942609
   0.23865338  0.08459050  0.43801739
   0.00175830  0.16553152  0.38264087
   0.00246569  0.03264097  0.54823112
   0.46633559  0.24375712  0.76595201
   0.12643864  0.25980681  0.54397871
   0.36276473  0.48592171  0.83620532
   0.46042988  0.46857963  0.66982737
   0.24050427  0.34347190  0.70147933
   0.30772540  0.22317713 -0.08348834
   0.04664245  0.15573595  0.88585504
   0.16154784  0.56098214  0.08855930
   0.36681596  0.67679362  0.25739439
   0.10732261  0.82877606  0.04483104
   0.40504878  0.93598306  0.33492874
   0.43681887  0.88660646  0.15120581
   0.19425753  0.84882355  0.22724110
   0.30741154  0.65985561  0.43154920
   0.04767294  0.64078522  0.41860158
   0.17690894  0.54692075  0.57815648
   0.30188592  0.74120548  0.77423207
   0.14428177  0.79466199  0.55004046
   0.36568577  1.00842039  0.80107817
   0.43925315  0.91940765  0.63606358
   0.17896939  0.96311032  0.67315769
   0.28798908  0.68846965 -0.04589696
   0.02385801  0.64523880  0.92957546
   0.62885022  0.05926079  0.10182632
   0.81817921  0.20244481  0.24429063
   0.62843549  0.31061492  0.03628864
   0.92332475  0.42335610  0.35499718
   0.03427630  0.37126722  0.19289437
   0.76129284  0.44642776  0.16383931
   0.73645766  0.16979228  0.41137560
   0.47744435  0.13839830  0.45940162
   0.66986376  0.06447516  0.58600933
   0.81590531  0.21970300  0.77531948
   0.60967478  0.33562206  0.54105645
   0.89854713  0.43722413  0.85301433
   0.99732832  0.42573991  0.66193071
   0.74446781  0.44514361  0.67763349
   0.79983529  0.13482182  0.96479426
   0.54895402  0.11477830  0.92279295
   0.54518255  0.56452594  0.08127038
   0.85027361  0.68852483  0.30187953
   0.62112352  0.80939300  0.02871724
   0.83181755  0.96903562  0.33368207
   0.93263299  0.86684775  0.18344462
   0.67347596  0.84533723  0.21815012
   0.79667339  0.56892047  0.47330041
   0.54596094  0.56684888  0.37574039
   0.58749998  0.60470624  0.56145435
   0.83445529  0.70993146  0.80944054
   0.62027935  0.79146182  0.41606046
   0.87495481  0.97053657  0.82982453
   0.93760053  0.83442073  0.66792516
   0.68120642  0.89731382  0.73109787
   0.76352436  0.57906003  0.96899655
   0.52494361  0.65992637  0.89099796
   0.65851058  0.81708148  0.56054875
   0.52641492  0.82305186  0.39815383
   0.88265458  0.26678653  0.07239810
   0.99820312  0.42718626  0.29983379
   0.33773987  0.15124237  0.63466668
   0.26578678  0.70460390  0.71310681
   0.04777694  1.12660682  0.18851920
   0.20111383  1.04327365  0.00596963
   0.64906532  0.40153328  0.82787408
   0.90766809  0.45111938  0.63054703
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965438    0.351550   -0.197758
    -0.000000    9.812026    0.099102
    -0.000000    0.000000   14.001442
   Si   O    H 
    32    64    10
Direct configuration=  1546
   0.16356869  0.17872091 -0.03361793
   0.37947127  0.08782817  0.37941340
   0.14254357  0.39894127  0.11446835
   0.38059177  0.33225556  0.24950387
   0.09387452  0.13204080  0.47861205
   0.41598069  0.14099093  0.85648121
   0.13822594  0.39298317  0.61290358
   0.37830308  0.38445255  0.74267789
   0.14633860  0.67373405  0.01159460
   0.38565006  0.57733927  0.35149257
   0.07987931  0.90835367  0.14589502
   0.35027177  0.84507679  0.24750374
   0.17299347  0.66025151  0.49401944
   0.36930518  0.64895538  0.85775732
   0.05834434  0.90570277  0.61495065
   0.32550493  1.02003192  0.68496642
   0.65397885  0.15436106  1.00846845
   0.85384267  0.12385989  0.34242813
   0.61111060  0.42459527  0.11983305
   0.86921730  0.30821848  0.17433487
   0.62520030  0.18023905  0.49750258
   0.88604650  0.12513864  0.86997582
   0.60319159  0.45616416  0.61344651
   0.78103571  0.38404185  0.78301975
   0.61713827  0.65069176 -0.01236863
   0.89901136  0.58094206  0.38284134
   0.59259646  0.90254961  0.12455735
   0.81913825  0.84393351  0.26155914
   0.64208856  0.64154999  0.45851175
   0.88303637  0.59619852  0.89101362
   0.61002227  0.92604398  0.62420593
   0.83869507  0.85527367  0.75387625
   0.11188680  0.07910521  0.14249895
   0.37982399  0.17539149  0.28535260
   0.11495014  0.30563962  0.02453857
   0.34151598  0.42541849  0.34098916
   0.52134253  0.37962710  0.21341034
   0.28244894  0.34260058  0.15917247
   0.24024016  0.08591693  0.43906832
   0.00281281  0.16447178  0.38318879
   0.00216673  0.03241046  0.54919854
   0.46673848  0.24296065  0.76538690
   0.12673365  0.26025701  0.54360447
   0.36201428  0.48624512  0.83759324
   0.46177078  0.46809478  0.66996897
   0.24139070  0.34331496  0.70210802
   0.30632072  0.22269048 -0.08292272
   0.04725501  0.15758611  0.88582028
   0.16119627  0.56181712  0.08781221
   0.36549273  0.67684380  0.25755709
   0.10897656  0.82713537  0.04532697
   0.40615249  0.93464686  0.33516757
   0.43711444  0.88652278  0.15118663
   0.19319582  0.84726408  0.22759486
   0.30827142  0.65870321  0.43072326
   0.04870270  0.64062316  0.41787654
   0.17657967  0.54561635  0.57807696
   0.30262468  0.74063657  0.77478735
   0.14434828  0.79440762  0.55031580
   0.36718200  1.00850879  0.80079867
   0.43981099  0.91850341  0.63615748
   0.17853490  0.96477162  0.67381455
   0.28891545  0.68780448 -0.04604593
   0.02355017  0.64556649  0.92945817
   0.63008916  0.05914449  0.10128254
   0.81797007  0.20227474  0.24465958
   0.62729363  0.31319072  0.03785177
   0.92271124  0.42347745  0.35329429
   0.03592289  0.37047953  0.19330959
   0.76191290  0.44754005  0.16405248
   0.73719324  0.16979772  0.41247262
   0.47590550  0.13836564  0.45984730
   0.67107224  0.06321047  0.58496622
   0.81594988  0.21984897  0.77549656
   0.60897275  0.33441290  0.54127970
   0.89858133  0.43856331  0.85525073
   0.99669268  0.42709998  0.66224581
   0.74413740  0.44367479  0.67642578
   0.80032124  0.13394733  0.96418626
   0.54919280  0.11498546  0.92293327
   0.54534024  0.56580618  0.08142829
   0.84935654  0.68965195  0.30207736
   0.61986442  0.80811679  0.02841144
   0.83329081  0.96771617  0.33397031
   0.93229274  0.86505131  0.18398225
   0.67591805  0.84249339  0.21857814
   0.79591621  0.57034569  0.47407756
   0.54416363  0.56837099  0.37646454
   0.58734271  0.60433132  0.56154541
   0.83395050  0.70999641  0.80945700
   0.62060977  0.79224157  0.41663509
   0.87403205  0.97030924  0.82949629
   0.93819785  0.83463314  0.66810489
   0.67963311  0.89654147  0.73044778
   0.76239340  0.57868323  0.96806470
   0.52496431  0.66097065  0.88969279
   0.65315442  0.81620653  0.55966557
   0.53386893  0.81995919  0.39523806
   0.87347752  0.27069797  0.07475519
   0.99814763  0.42798305  0.30043236
   0.33672863  0.14774226  0.63248999
   0.26807984  0.70139829  0.71333163
   0.04975405  1.13333292  0.18693062
   0.20831890  1.05084775  0.00871237
   0.64946011  0.40276819  0.83062709
   0.90184006  0.44896117  0.63229138
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965837    0.346309   -0.198559
    -0.000000    9.811587    0.098493
    -0.000000    0.000000   14.002162
   Si   O    H 
    32    64    10
Direct configuration=  1547
   0.16374122  0.17744583 -0.03347474
   0.37974058  0.08796470  0.37938296
   0.14241989  0.39925574  0.11490925
   0.37981716  0.33321564  0.24933680
   0.09241701  0.13082872  0.47826350
   0.41620210  0.14135004  0.85567593
   0.13715170  0.39182607  0.61368019
   0.37785201  0.38473925  0.74321820
   0.14637636  0.67277576  0.01105717
   0.38579113  0.57674029  0.35081488
   0.08044050  0.90778289  0.14635659
   0.35087000  0.84519159  0.24702888
   0.17247217  0.65883701  0.49383428
   0.36997771  0.65096441  0.85756051
   0.05729646  0.90562860  0.61544314
   0.32587824  1.01903432  0.68435360
   0.65449051  0.15469660  1.00832095
   0.85385566  0.12524357  0.34257516
   0.61146916  0.42544145  0.11888942
   0.86969071  0.30708670  0.17475368
   0.62462055  0.18098539  0.49739133
   0.88785331  0.12481129  0.86967251
   0.60377986  0.45482522  0.61358511
   0.78096441  0.38474931  0.78349620
   0.61753253  0.64957723 -0.01253637
   0.89873321  0.58065245  0.38288201
   0.59291326  0.90341870  0.12454179
   0.81952850  0.84322226  0.26117236
   0.64159085  0.64095925  0.45891574
   0.88224774  0.59717571  0.88992158
   0.61002020  0.92590370  0.62374307
   0.83744655  0.85525178  0.75396737
   0.11174016  0.07877227  0.14218090
   0.38013125  0.17535466  0.28594400
   0.11467146  0.30701766  0.02517530
   0.34170962  0.42566811  0.34135040
   0.52235571  0.37777469  0.21288154
   0.28269060  0.34202165  0.15892067
   0.24083090  0.08704642  0.43956515
   0.00298855  0.16309422  0.38365472
   0.00325506  0.03252793  0.55022890
   0.46700165  0.24131512  0.76541435
   0.12672578  0.26188746  0.54272985
   0.36138572  0.48727597  0.83840291
   0.46442564  0.46786531  0.66941510
   0.24159629  0.34321690  0.70259857
   0.30469284  0.22305683 -0.08265030
   0.04739929  0.15949501  0.88593459
   0.16020011  0.56163178  0.08712568
   0.36434702  0.67621932  0.25814174
   0.11082905  0.82650077  0.04648576
   0.40688486  0.93283462  0.33575122
   0.43657902  0.88687905  0.15202720
   0.19203830  0.84611290  0.22740218
   0.30924182  0.65798704  0.43017528
   0.04919798  0.64000413  0.41777990
   0.17676605  0.54502976  0.57807312
   0.30314152  0.74010969  0.77443045
   0.14456970  0.79411545  0.55092774
   0.36845841  1.00901827  0.80065667
   0.44144033  0.91834804  0.63572672
   0.17780524  0.96622754  0.67533397
   0.28958148  0.68723755 -0.04548426
   0.02411836  0.64471636  0.93012435
   0.63073435  0.05916581  0.10146310
   0.81730008  0.20187268  0.24558856
   0.62665163  0.31513432  0.03864200
   0.92297546  0.42411618  0.35145581
   0.03686286  0.36916457  0.19343572
   0.76358559  0.44807347  0.16402588
   0.73806688  0.17028290  0.41407474
   0.47459736  0.13803076  0.46031527
   0.67155384  0.06272573  0.58388477
   0.81678067  0.21912203  0.77642299
   0.60894940  0.33260429  0.54085592
   0.89841443  0.44016319  0.85711525
   0.99509695  0.42770745  0.66191744
   0.74433311  0.44208507  0.67552377
   0.80051671  0.13331791  0.96315901
   0.54956386  0.11437817  0.92298726
   0.54617434  0.56735104  0.08155142
   0.84963942  0.69043192  0.30272835
   0.61879860  0.80720960  0.02824998
   0.83471693  0.96636250  0.33422612
   0.93212296  0.86401656  0.18394494
   0.67722250  0.83980281  0.21908465
   0.79526707  0.57213057  0.47401615
   0.54355700  0.56960701  0.37736554
   0.58646104  0.60429964  0.56155786
   0.83387715  0.71035000  0.80959553
   0.62214538  0.79326144  0.41735378
   0.87276650  0.97070742  0.83012468
   0.93881838  0.83487595  0.66771553
   0.67787438  0.89574949  0.72890104
   0.76173034  0.57807366  0.96730887
   0.52543397  0.66235053  0.88862930
   0.64609363  0.81585046  0.55917367
   0.53107002  0.81525387  0.39170315
   0.86683684  0.27065490  0.07782259
   0.99498333  0.42547047  0.30372849
   0.33658709  0.14245228  0.63024627
   0.27212614  0.70203240  0.71962770
   0.05563987  1.13979682  0.18305055
   0.21518370  1.05460707  0.01013985
   0.64991194  0.40334603  0.83401538
   0.90308085  0.44281673  0.63608821
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.966433    0.341101   -0.199604
    -0.000000    9.811287    0.097588
    -0.000000    0.000000   14.003044
   Si   O    H 
    32    64    10
Direct configuration=  1548
   0.16412760  0.17650223 -0.03347678
   0.38002765  0.08814203  0.37923704
   0.14283466  0.39982589  0.11557343
   0.37979329  0.33429698  0.24891329
   0.09124687  0.13003738  0.47754293
   0.41688673  0.14192516  0.85514983
   0.13600792  0.39076508  0.61459099
   0.37811057  0.38491908  0.74372444
   0.14582385  0.67239177  0.01019802
   0.38629863  0.57693188  0.35058818
   0.08090725  0.90739277  0.14722183
   0.35115404  0.84466177  0.24655876
   0.17166189  0.65740910  0.49315001
   0.37058091  0.65292506  0.85773539
   0.05663780  0.90609133  0.61584900
   0.32613180  1.01821631  0.68377149
   0.65471798  0.15562136  1.00809503
   0.85374341  0.12651495  0.34290042
   0.61223969  0.42612587  0.11855305
   0.87017937  0.30637987  0.17460539
   0.62397450  0.18137662  0.49726401
   0.88944436  0.12420002  0.86935634
   0.60458908  0.45371761  0.61325819
   0.78050858  0.38553673  0.78380707
   0.61857668  0.64881673 -0.01250784
   0.89842179  0.58039018  0.38306642
   0.59284065  0.90374389  0.12415884
   0.81989597  0.84165294  0.26156935
   0.64106813  0.64016087  0.45923169
   0.88143994  0.59887030  0.88927628
   0.60974614  0.92595721  0.62340209
   0.83673729  0.85537505  0.75452003
   0.11182089  0.07799307  0.14139355
   0.37986927  0.17516721  0.28652255
   0.11407052  0.30916978  0.02660426
   0.34159213  0.42500715  0.34179391
   0.52432396  0.37629770  0.21213755
   0.28257203  0.34131545  0.15840924
   0.24181072  0.08806093  0.43994669
   0.00312670  0.16249939  0.38341502
   0.00383037  0.03337334  0.55105807
   0.46663809  0.24065120  0.76613226
   0.12652624  0.26468794  0.54210179
   0.36089445  0.48793206  0.83869351
   0.46704625  0.46801134  0.66889717
   0.24084456  0.34305107  0.70241234
   0.30284209  0.22363088 -0.08206216
   0.04676877  0.16119750  0.88582457
   0.15990752  0.56028065  0.08719006
   0.36345449  0.67523823  0.25875441
   0.11276912  0.82714871  0.04761720
   0.40689847  0.93112251  0.33634321
   0.43621509  0.88696415  0.15291834
   0.18949472  0.84478501  0.22713795
   0.30960113  0.65742149  0.43024262
   0.04985933  0.63996060  0.41748724
   0.17768619  0.54362276  0.57785314
   0.30291628  0.74092890  0.77398211
   0.14520615  0.79521595  0.55219010
   0.36912434  1.00930233  0.80104325
   0.44274096  0.91901990  0.63504899
   0.17683745  0.96684039  0.67656526
   0.29006624  0.68663970 -0.04467284
   0.02503368  0.64367311  0.93061195
   0.63156194  0.05880145  0.10137650
   0.81608870  0.20181525  0.24643476
   0.62558378  0.31629855  0.03948851
   0.92404716  0.42442855  0.34959133
   0.03644149  0.36707581  0.19342765
   0.76560791  0.44845894  0.16380257
   0.73886113  0.17063864  0.41615614
   0.47398516  0.13742783  0.46076098
   0.67155586  0.06241459  0.58234651
   0.81763296  0.21785588  0.77701725
   0.60901321  0.33057961  0.54055175
   0.89816413  0.44143495  0.85852954
   0.99420693  0.42803339  0.66171598
   0.74429700  0.44084686  0.67442587
   0.80118077  0.13267578  0.96252423
   0.54965870  0.11365107  0.92342065
   0.54674471  0.56889955  0.08122911
   0.84955432  0.69135723  0.30367459
   0.61828030  0.80725891  0.02895873
   0.83567063  0.96515907  0.33461198
   0.93170177  0.86366579  0.18346938
   0.67803283  0.83765248  0.21886872
   0.79459226  0.57490456  0.47330454
   0.54381842  0.57014465  0.37872086
   0.58608711  0.60447891  0.56239547
   0.83378019  0.71036879  0.80981293
   0.62315115  0.79457184  0.41794163
   0.87140886  0.97130235  0.83003635
   0.93992659  0.83559067  0.66696464
   0.67622208  0.89528728  0.72759068
   0.76079729  0.57792673  0.96620512
   0.52690930  0.66299297  0.88767387
   0.64091886  0.81703183  0.55838042
   0.52983024  0.80978683  0.38890951
   0.86417908  0.26937934  0.07862440
   0.99312344  0.42452901  0.30738004
   0.33393786  0.14172069  0.62722916
   0.27083848  0.69590035  0.71707785
   0.06557276  1.14398682  0.17944874
   0.22000345  1.05248817  0.01121684
   0.65162128  0.40332018  0.83557433
   0.90555135  0.43894899  0.63806473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967051    0.336201   -0.201108
    -0.000000    9.811148    0.096563
    -0.000000    0.000000   14.003755
   Si   O    H 
    32    64    10
Direct configuration=  1549
   0.16471156  0.17575152 -0.03362114
   0.38023383  0.08765149  0.37950593
   0.14411361  0.40113209  0.11584274
   0.37963394  0.33536910  0.24852124
   0.09026957  0.12949869  0.47681461
   0.41741178  0.14227707  0.85435877
   0.13486023  0.38980473  0.61614245
   0.37872180  0.38530258  0.74434313
   0.14492821  0.67212193  0.00890566
   0.38676714  0.57789126  0.35087748
   0.08163830  0.90693821  0.14785013
   0.35202396  0.84370166  0.24589511
   0.17103427  0.65615793  0.49286678
   0.37097853  0.65410506  0.85749656
   0.05653892  0.90647846  0.61621343
   0.32666388  1.01765345  0.68320846
   0.65497240  0.15735012  1.00770876
   0.85371795  0.12754114  0.34336109
   0.61277673  0.42681354  0.11812709
   0.87026135  0.30592331  0.17417056
   0.62381297  0.18117217  0.49735618
   0.89129271  0.12420095  0.86934538
   0.60510383  0.45250014  0.61272183
   0.78025840  0.38679983  0.78430716
   0.61898331  0.64819982 -0.01240153
   0.89856184  0.58048049  0.38326810
   0.59239731  0.90372725  0.12396053
   0.82105389  0.84000466  0.26200917
   0.64091996  0.63939646  0.45926603
   0.88018388  0.60067324  0.88882772
   0.60978735  0.92643695  0.62303565
   0.83551379  0.85587047  0.75494690
   0.11215491  0.07631868  0.14114750
   0.37959854  0.17561416  0.28621341
   0.11390523  0.31049551  0.02754257
   0.34145339  0.42439016  0.34167565
   0.52635033  0.37449803  0.21179614
   0.28238853  0.34018704  0.15787631
   0.24273819  0.08930401  0.44059490
   0.00314868  0.16288974  0.38312466
   0.00411816  0.03492758  0.55144340
   0.46579171  0.24007872  0.76657885
   0.12603036  0.26737457  0.54162263
   0.36065667  0.48838252  0.83881384
   0.46908600  0.46843284  0.66793555
   0.23955615  0.34268425  0.70204231
   0.30233681  0.22456101 -0.08156975
   0.04605375  0.16208844  0.88590023
   0.15982510  0.55858774  0.08761611
   0.36278826  0.67424410  0.25888930
   0.11397077  0.82783169  0.04891208
   0.40668174  0.93081848  0.33652481
   0.43599591  0.88781873  0.15333429
   0.18711000  0.84432147  0.22671495
   0.30930385  0.65632445  0.43112934
   0.05101239  0.64033692  0.41677341
   0.17870453  0.54208104  0.57733895
   0.30189038  0.74202990  0.77338846
   0.14597808  0.79615681  0.55350039
   0.36941972  1.00950699  0.80124579
   0.44475955  0.92017743  0.63421075
   0.17571380  0.96717048  0.67779824
   0.28978307  0.68660355 -0.04401594
   0.02568348  0.64226197  0.93147994
   0.63196470  0.05813263  0.10182074
   0.81409850  0.20141548  0.24692319
   0.62363322  0.31656824  0.03999332
   0.92425734  0.42491610  0.34760664
   0.03544364  0.36466860  0.19330973
   0.76725414  0.44840686  0.16347279
   0.73901866  0.17144631  0.41801160
   0.47434316  0.13741174  0.46147958
   0.67156577  0.06294345  0.58060484
   0.81915903  0.21703696  0.77784903
   0.60897308  0.32797190  0.54036472
   0.89836177  0.44190937  0.85883022
   0.99427931  0.42832350  0.66191462
   0.74448537  0.44076955  0.67303018
   0.80157060  0.13167647  0.96180858
   0.54863279  0.11291890  0.92366327
   0.54714268  0.57001526  0.08025279
   0.84947635  0.69157772  0.30452822
   0.61746739  0.80709353  0.02932705
   0.83640701  0.96447882  0.33487148
   0.93131957  0.86327122  0.18259362
   0.67687064  0.83618116  0.21824489
   0.79435729  0.57766262  0.47292461
   0.54421800  0.57075513  0.37987582
   0.58528188  0.60412358  0.56306461
   0.83331784  0.71107527  0.81016965
   0.62366180  0.79537589  0.41831556
   0.87114615  0.97245286  0.83030692
   0.94064241  0.83566243  0.66644272
   0.67472440  0.89553989  0.72655384
   0.75950349  0.57823959  0.96520423
   0.52875562  0.66437321  0.88667698
   0.63829674  0.81554476  0.55818354
   0.53426930  0.80540110  0.38885844
   0.86622997  0.26210478  0.07817207
   1.00467866  0.42442787  0.30261202
   0.32970306  0.14447963  0.62493392
   0.27099626  0.69242174  0.71529447
   0.07067289  1.15008352  0.17839664
   0.22430393  1.04531034  0.01105192
   0.65483764  0.40437915  0.83655221
   0.90049324  0.43453242  0.63554612
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967436    0.331447   -0.202576
    -0.000000    9.811196    0.095743
    -0.000000    0.000000   14.004617
   Si   O    H 
    32    64    10
Direct configuration=  1550
   0.16578447  0.17531023 -0.03379339
   0.38031842  0.08728412  0.37963491
   0.14511532  0.40261476  0.11575560
   0.37941194  0.33655937  0.24810344
   0.08965978  0.12929655  0.47613634
   0.41733443  0.14255829  0.85395639
   0.13329835  0.38875221  0.61759468
   0.37930054  0.38523468  0.74530630
   0.14325400  0.67226210  0.00724126
   0.38663263  0.57907297  0.35135782
   0.08267204  0.90584568  0.14837516
   0.35250256  0.84251689  0.24519868
   0.17058020  0.65565617  0.49269976
   0.37165295  0.65466389  0.85719640
   0.05649653  0.90730916  0.61643980
   0.32745353  1.01729407  0.68288332
   0.65483942  0.15896786  1.00743030
   0.85349270  0.12834983  0.34419017
   0.61307307  0.42767635  0.11799675
   0.87061178  0.30657160  0.17397437
   0.62400535  0.18042904  0.49769414
   0.89334514  0.12399610  0.86923948
   0.60537248  0.45116964  0.61182142
   0.78010020  0.38794075  0.78508466
   0.61860351  0.64806460 -0.01233504
   0.89919570  0.58048697  0.38377985
   0.59208391  0.90377348  0.12407609
   0.82215436  0.83898556  0.26231492
   0.64087206  0.63850602  0.45957566
   0.87841173  0.60225355  0.88815333
   0.60998572  0.92699214  0.62244090
   0.83429553  0.85643922  0.75543597
   0.11157637  0.07390584  0.14091702
   0.37902117  0.17670271  0.28517630
   0.11295432  0.31160229  0.02832765
   0.34082392  0.42280330  0.34099658
   0.52809855  0.37229003  0.21154780
   0.28202840  0.33950390  0.15797491
   0.24299058  0.09056404  0.44158062
   0.00334650  0.16313923  0.38304072
   0.00423181  0.03687776  0.55095906
   0.46578777  0.24004085  0.76719381
   0.12524974  0.26960633  0.54054187
   0.36026949  0.48749698  0.83829072
   0.47083161  0.46870209  0.66713494
   0.23775295  0.34235663  0.70147951
   0.30162098  0.22495897 -0.08194346
   0.04512128  0.16349665  0.88536581
   0.15876794  0.55646962  0.08886577
   0.36279162  0.67386727  0.25892213
   0.11525018  0.82835303  0.05019803
   0.40686411  0.93118397  0.33639455
   0.43563631  0.88954221  0.15340316
   0.18539501  0.84435131  0.22647046
   0.30865396  0.65489532  0.43282816
   0.05253701  0.64032976  0.41657629
   0.17913898  0.54023003  0.57592317
   0.30007346  0.74405648  0.77266768
   0.14719385  0.79727458  0.55415785
   0.36930018  1.00934002  0.80156436
   0.44653530  0.92138735  0.63333818
   0.17524475  0.96668640  0.67918981
   0.28893907  0.68725031 -0.04325931
   0.02629723  0.64171234  0.93285909
   0.63264869  0.05735915  0.10195010
   0.81250012  0.20066679  0.24732142
   0.62221918  0.31579449  0.03989940
   0.92435233  0.42540892  0.34590555
   0.03368962  0.36209392  0.19350310
   0.76827790  0.44802866  0.16300921
   0.73840118  0.17291144  0.42010226
   0.47562886  0.13749144  0.46171582
   0.67151548  0.06371405  0.57834350
   0.81975433  0.21559786  0.77895745
   0.60850631  0.32584996  0.54016653
   0.89855759  0.44187274  0.85853696
   0.99421257  0.42770192  0.66238042
   0.74473722  0.44180927  0.67249018
   0.80085994  0.13128910  0.96159659
   0.54811595  0.11298740  0.92412556
   0.54726734  0.57106338  0.07859186
   0.84956990  0.69235922  0.30555677
   0.61662787  0.80628720  0.02973917
   0.83790751  0.96385217  0.33529067
   0.93174763  0.86294488  0.18183049
   0.67470678  0.83491254  0.21669252
   0.79343262  0.57942307  0.47250911
   0.54487685  0.57185711  0.38065327
   0.58559901  0.60309643  0.56341008
   0.83307515  0.71170091  0.81020386
   0.62380492  0.79598747  0.41854818
   0.87138630  0.97366345  0.83016099
   0.94044325  0.83453983  0.66627806
   0.67457677  0.89661127  0.72542318
   0.75911726  0.57894739  0.96432214
   0.53157648  0.66592100  0.88596783
   0.63919437  0.81429793  0.55980586
   0.53753482  0.80442029  0.38956511
   0.86998912  0.25105576  0.07648468
   1.00705505  0.42631491  0.30257270
   0.32569113  0.14453872  0.62230446
   0.27383089  0.69241518  0.71551744
   0.07682773  1.15388422  0.17925350
   0.22765370  1.04150457  0.00923558
   0.65873932  0.40819125  0.83632987
   0.90196952  0.43259396  0.63037617
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967859    0.326561   -0.203826
    -0.000000    9.811603    0.095289
    -0.000000    0.000000   14.005034
   Si   O    H 
    32    64    10
Direct configuration=  1551
   0.16679724  0.17489904 -0.03392773
   0.38014957  0.08634499  0.37974126
   0.14704324  0.40425893  0.11566902
   0.37985569  0.33713921  0.24814147
   0.09005290  0.12911785  0.47557001
   0.41674706  0.14319902  0.85347927
   0.13226241  0.38787582  0.61892874
   0.37939745  0.38545480  0.74608422
   0.14202229  0.67292891  0.00591241
   0.38697662  0.57986891  0.35222662
   0.08329740  0.90578441  0.14904337
   0.35249982  0.84134125  0.24451178
   0.17067965  0.65532724  0.49232843
   0.37190160  0.65496164  0.85694684
   0.05710174  0.90864156  0.61594401
   0.32798589  1.01727721  0.68279500
   0.65440475  0.16024863  1.00713282
   0.85290261  0.12904622  0.34495611
   0.61339740  0.42825456  0.11786798
   0.87117004  0.30783116  0.17303762
   0.62407991  0.17920476  0.49766484
   0.89472976  0.12397776  0.86866293
   0.60584687  0.44953135  0.61096844
   0.77942352  0.38834551  0.78588836
   0.61797043  0.64802314 -0.01225360
   0.90023386  0.58028279  0.38442149
   0.59173122  0.90372405  0.12432949
   0.82339074  0.83865014  0.26266064
   0.64088956  0.63784330  0.45973047
   0.87712964  0.60324597  0.88766727
   0.61009337  0.92758599  0.62188226
   0.83332848  0.85751576  0.75582528
   0.11128522  0.07097485  0.14091957
   0.37840308  0.17766684  0.28458558
   0.11325714  0.31201732  0.02866162
   0.33962580  0.42209406  0.34007777
   0.53057812  0.37011229  0.21137387
   0.28168817  0.33936053  0.15826202
   0.24172032  0.09228011  0.44209469
   0.00370491  0.16349589  0.38268329
   0.00476667  0.03821058  0.55042617
   0.46609597  0.24067922  0.76826480
   0.12400540  0.27110124  0.53944898
   0.35948438  0.48639218  0.83749186
   0.47183914  0.46890734  0.66646329
   0.23549491  0.34173914  0.70098755
   0.30141193  0.22531620 -0.08259585
   0.04447148  0.16454599  0.88515031
   0.15734785  0.55456681  0.08996168
   0.36389626  0.67333447  0.25871514
   0.11644222  0.82899136  0.05079064
   0.40677933  0.93123517  0.33612289
   0.43540352  0.89081203  0.15337690
   0.18399971  0.84485237  0.22665082
   0.30810368  0.65421594  0.43447203
   0.05437783  0.63934411  0.41566090
   0.17970362  0.53883782  0.57437223
   0.29822805  0.74594607  0.77155207
   0.14858726  0.79844916  0.55484142
   0.36883858  1.00924727  0.80191070
   0.44886140  0.92324499  0.63315547
   0.17489350  0.96614266  0.68102489
   0.28820793  0.68743596 -0.04244736
   0.02646698  0.64111932  0.93430880
   0.63302002  0.05757878  0.10231154
   0.81122564  0.20027419  0.24726492
   0.62086981  0.31416193  0.03974452
   0.92436321  0.42506249  0.34436863
   0.03141430  0.36015831  0.19403826
   0.76913245  0.44682400  0.16341439
   0.73828175  0.17421869  0.42173878
   0.47758508  0.13655782  0.46207726
   0.67135416  0.06518462  0.57592119
   0.82052810  0.21551660  0.77988255
   0.60787060  0.32395683  0.53981456
   0.89866152  0.44162614  0.85817080
   0.99316488  0.42716981  0.66326026
   0.74456562  0.44368210  0.67247107
   0.80123164  0.13148962  0.96219970
   0.54834840  0.11380482  0.92461610
   0.54824493  0.57055010  0.07654168
   0.84950966  0.69247609  0.30632392
   0.61513039  0.80525800  0.03045582
   0.83971410  0.96309309  0.33528538
   0.93183007  0.86251743  0.18073689
   0.67178155  0.83354202  0.21431119
   0.79322103  0.58033623  0.47161424
   0.54570196  0.57262526  0.38107020
   0.58551624  0.60199723  0.56401021
   0.83257240  0.71231483  0.81056931
   0.62376887  0.79706354  0.41889420
   0.87213361  0.97417502  0.83032198
   0.93948666  0.83340071  0.66638950
   0.67455346  0.89660769  0.72479412
   0.75847258  0.57937757  0.96406293
   0.53472178  0.66696760  0.88543755
   0.64172882  0.81054161  0.56268993
   0.53319847  0.80466018  0.38866322
   0.87675921  0.24317060  0.07518198
   1.00815337  0.42602032  0.30476654
   0.32385024  0.14351339  0.62104335
   0.27646846  0.69340100  0.71791286
   0.08469296  1.14679036  0.17787088
   0.22595966  1.04145150  0.00640348
   0.66121040  0.41055950  0.83962112
   0.90578053  0.42810641  0.62520676
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968916    0.321445   -0.205313
    -0.000000    9.811630    0.094610
    -0.000000    0.000000   14.004991
   Si   O    H 
    32    64    10
Direct configuration=  1552
   0.16786767  0.17477247 -0.03421349
   0.37979549  0.08547137  0.37966429
   0.14823711  0.40472669  0.11546124
   0.37971972  0.33714177  0.24832194
   0.09029663  0.12973231  0.47556918
   0.41602903  0.14372831  0.85357834
   0.13176385  0.38722288  0.61969406
   0.37942838  0.38618125  0.74667153
   0.14096675  0.67446466  0.00458654
   0.38715766  0.58048030  0.35331266
   0.08414142  0.90584456  0.14913011
   0.35225880  0.84029850  0.24410969
   0.17116342  0.65465864  0.49235522
   0.37210955  0.65511254  0.85696477
   0.05768762  0.90948602  0.61533362
   0.32876296  1.01768914  0.68290794
   0.65406819  0.16144157  1.00710935
   0.85262757  0.12912022  0.34590986
   0.61377223  0.42886028  0.11856519
   0.87099305  0.30884248  0.17185111
   0.62426553  0.17806976  0.49773056
   0.89537344  0.12397075  0.86818448
   0.60616236  0.44866873  0.60986110
   0.77907734  0.38770273  0.78660400
   0.61669396  0.64810311 -0.01222363
   0.90139762  0.57973769  0.38475935
   0.59110115  0.90313218  0.12419081
   0.82429179  0.83851241  0.26294985
   0.64112744  0.63717316  0.45997107
   0.87611102  0.60407226  0.88742807
   0.61046830  0.92811262  0.62107605
   0.83207064  0.85890457  0.75621298
   0.11089751  0.06792713  0.14079264
   0.37880110  0.17933062  0.28411505
   0.11336691  0.31139772  0.02853673
   0.33837706  0.42218797  0.33901134
   0.53225267  0.36784600  0.21121572
   0.28133853  0.33859014  0.15864109
   0.24166167  0.09340315  0.44256184
   0.00391310  0.16388401  0.38212982
   0.00577211  0.03930918  0.55010951
   0.46592740  0.24100527  0.76955385
   0.12281396  0.27198273  0.53822640
   0.35898254  0.48541808  0.83664435
   0.47114960  0.46923251  0.66651318
   0.23333295  0.34191302  0.70065883
   0.30196517  0.22619443 -0.08400462
   0.04472534  0.16494930  0.88545543
   0.15667245  0.55418243  0.09092068
   0.36472741  0.67376550  0.25879842
   0.11762309  0.83024112  0.05101610
   0.40685553  0.93078095  0.33539375
   0.43476443  0.89243434  0.15339269
   0.18332195  0.84515076  0.22716533
   0.30800520  0.65423263  0.43598340
   0.05556361  0.63850738  0.41448543
   0.18091991  0.53798531  0.57289681
   0.29633618  0.74732756  0.77095276
   0.14983723  0.79998281  0.55539514
   0.36743975  1.00977006  0.80186486
   0.45025931  0.92461329  0.63266236
   0.17551161  0.96532616  0.68288896
   0.28720558  0.68768589 -0.04260735
   0.02577922  0.64071261  0.93519373
   0.63325296  0.05781220  0.10262430
   0.81090746  0.20034628  0.24679340
   0.61918411  0.31269127  0.03905844
   0.92448016  0.42490421  0.34303481
   0.02937921  0.35832629  0.19451993
   0.76952503  0.44514463  0.16374017
   0.73865588  0.17546522  0.42328640
   0.47921646  0.13566525  0.46276938
   0.67121742  0.06599809  0.57421527
   0.82127170  0.21622404  0.78047818
   0.60727487  0.32209864  0.53962797
   0.89878941  0.44205920  0.85713259
   0.99231020  0.42725047  0.66448758
   0.74464315  0.44518926  0.67323469
   0.80203022  0.13120163  0.96324425
   0.54814882  0.11444376  0.92494117
   0.54871550  0.56934995  0.07494146
   0.84972575  0.69192358  0.30758475
   0.61343902  0.80392026  0.03111491
   0.84198566  0.96297348  0.33489157
   0.93109938  0.86255663  0.17889250
   0.66944205  0.83170695  0.21228225
   0.79315672  0.58126893  0.47026164
   0.54608176  0.57342940  0.38105373
   0.58571725  0.60091009  0.56489262
   0.83229550  0.71309952  0.81141315
   0.62326984  0.79814287  0.41872274
   0.87345839  0.97386091  0.83112306
   0.93834035  0.83220375  0.66677373
   0.67475145  0.89709747  0.72502717
   0.75766244  0.58005356  0.96404138
   0.53659741  0.66710188  0.88454670
   0.64371364  0.80849166  0.56480371
   0.53494053  0.81094009  0.38648773
   0.88708284  0.23697518  0.07665348
   1.00233503  0.42520947  0.30806821
   0.32339883  0.13983429  0.62297659
   0.27522568  0.69201031  0.71581087
   0.09002818  1.14794789  0.17912815
   0.22266019  1.04122976  0.00254556
   0.65908705  0.41047813  0.84548492
   0.91421546  0.42682910  0.62539413
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.969619    0.315768   -0.206924
    -0.000000    9.811763    0.093376
    -0.000000    0.000000   14.004888
   Si   O    H 
    32    64    10
Direct configuration=  1553
   0.16860573  0.17487899 -0.03483102
   0.37941261  0.08429520  0.38001136
   0.14856152  0.40466344  0.11489171
   0.38070177  0.33683686  0.24780469
   0.09022605  0.13115339  0.47571873
   0.41545327  0.14376460  0.85387406
   0.13170651  0.38695644  0.62010886
   0.37925680  0.38745953  0.74716878
   0.14022794  0.67599622  0.00365161
   0.38808574  0.58088486  0.35414077
   0.08415227  0.90553591  0.14910652
   0.35215984  0.83919750  0.24372676
   0.17115652  0.65440673  0.49266839
   0.37216718  0.65496338  0.85729943
   0.05886168  0.90952053  0.61478357
   0.32942536  1.01775504  0.68307955
   0.65338565  0.16192980  1.00645562
   0.85200568  0.12910985  0.34636723
   0.61471996  0.42935862  0.11945383
   0.87124880  0.30954018  0.17047382
   0.62496829  0.17660647  0.49752257
   0.89559481  0.12384379  0.86781539
   0.60613739  0.44779443  0.60928295
   0.77893379  0.38666873  0.78739960
   0.61563009  0.64828762 -0.01227138
   0.90268879  0.57931077  0.38516733
   0.59059113  0.90271305  0.12406421
   0.82454802  0.83844081  0.26269256
   0.64127749  0.63720175  0.46038606
   0.87530065  0.60417953  0.88712354
   0.61144267  0.92843578  0.61999737
   0.83161591  0.85956917  0.75719035
   0.11017689  0.06448628  0.14069941
   0.38003478  0.18070375  0.28394543
   0.11359476  0.31029316  0.02762717
   0.33626810  0.42258528  0.33818694
   0.53313513  0.36586624  0.21091916
   0.28182797  0.33769310  0.15934679
   0.24183444  0.09454789  0.44293157
   0.00352419  0.16395353  0.38113851
   0.00631459  0.03973728  0.54973756
   0.46669911  0.24201495  0.77054725
   0.12115828  0.27272435  0.53768876
   0.35873196  0.48554452  0.83587845
   0.46985497  0.46888686  0.66737361
   0.23214863  0.34236044  0.70093691
   0.30248762  0.22754362 -0.08498157
   0.04507751  0.16474362  0.88576324
   0.15619357  0.55449860  0.09134232
   0.36589328  0.67352385  0.25884135
   0.11828042  0.83135695  0.05142312
   0.40682495  0.93039058  0.33512369
   0.43424382  0.89474261  0.15319737
   0.18441486  0.84463354  0.22836047
   0.30792522  0.65384564  0.43772463
   0.05559584  0.63696157  0.41317125
   0.18215044  0.53682930  0.57179912
   0.29480034  0.74811917  0.77078182
   0.15052511  0.80055105  0.55573910
   0.36588503  1.01012383  0.80160383
   0.45070778  0.92591649  0.63221851
   0.17656075  0.96533078  0.68509049
   0.28690719  0.68722586 -0.04274769
   0.02417478  0.64068604  0.93549284
   0.63360627  0.05837169  0.10295280
   0.81029384  0.20063617  0.24625393
   0.61835334  0.31181912  0.03877797
   0.92384127  0.42570583  0.34194404
   0.02743055  0.35574831  0.19455967
   0.76926620  0.44424912  0.16369002
   0.73911742  0.17661412  0.42389510
   0.48062470  0.13454447  0.46277523
   0.67109319  0.06688984  0.57329083
   0.82216087  0.21729051  0.78041798
   0.60626985  0.32174252  0.53959298
   0.89852236  0.44374943  0.85573343
   0.99174944  0.42713592  0.66608482
   0.74568048  0.44725612  0.67388657
   0.80271195  0.13059282  0.96421865
   0.54726824  0.11551132  0.92488678
   0.54810377  0.56846222  0.07360430
   0.85006844  0.69167700  0.30849753
   0.61171483  0.80281542  0.03116946
   0.84391843  0.96385965  0.33473522
   0.93050914  0.86308435  0.17778005
   0.66853169  0.83025630  0.21092934
   0.79324107  0.58215718  0.46845163
   0.54574928  0.57434202  0.38064566
   0.58655449  0.60088585  0.56534321
   0.83191168  0.71395022  0.81177999
   0.62255257  0.79895397  0.41851361
   0.87491239  0.97301554  0.83180098
   0.93616815  0.83107913  0.66701224
   0.67496949  0.89774475  0.72513305
   0.75800651  0.58155786  0.96382654
   0.53879584  0.66774268  0.88383927
   0.64531470  0.80626073  0.56878907
   0.54008435  0.81763626  0.38430771
   0.89375069  0.23450738  0.08110314
   1.00663988  0.42178664  0.30702280
   0.32401211  0.13513951  0.62657181
   0.26969812  0.69045930  0.71313127
   0.09398344  1.14751698  0.18047763
   0.21643268  1.04163458 -0.00370009
   0.65506355  0.40661833  0.85112428
   0.91321416  0.42907515  0.62292785
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.969778    0.309869   -0.208410
    -0.000000    9.812042    0.092346
    -0.000000    0.000000   14.004654
   Si   O    H 
    32    64    10
Direct configuration=  1554
   0.16865361  0.17554627 -0.03553657
   0.37917422  0.08375910  0.38053677
   0.14809859  0.40354782  0.11449440
   0.38151309  0.33641437  0.24753950
   0.09016165  0.13267045  0.47570054
   0.41533827  0.14415041  0.85472077
   0.13164014  0.38707634  0.62041912
   0.37932758  0.38927476  0.74812195
   0.14037642  0.67740968  0.00321884
   0.38898045  0.58044976  0.35460846
   0.08382144  0.90531729  0.14915666
   0.35175667  0.83857471  0.24318999
   0.17144381  0.65442127  0.49281892
   0.37262689  0.65441565  0.85813639
   0.06011774  0.90964595  0.61437406
   0.33001837  1.01759374  0.68336293
   0.65275594  0.16266974  1.00609424
   0.85086426  0.12904256  0.34714510
   0.61527662  0.42934359  0.12015142
   0.87144127  0.31077475  0.16930733
   0.62567378  0.17512361  0.49680728
   0.89556984  0.12395508  0.86737833
   0.60633119  0.44740452  0.60897747
   0.77778456  0.38579701  0.78837610
   0.61510440  0.64837390 -0.01258235
   0.90395021  0.57847027  0.38599569
   0.58944632  0.90212009  0.12415000
   0.82443199  0.83908242  0.26189348
   0.64105667  0.63810174  0.46130632
   0.87518643  0.60401082  0.88710486
   0.61262211  0.92831010  0.61908008
   0.83096914  0.86045049  0.75812712
   0.10898885  0.06250670  0.14068757
   0.38137802  0.18186763  0.28405277
   0.11421858  0.30909733  0.02638568
   0.33452143  0.42369541  0.33805416
   0.53381305  0.36439030  0.21004070
   0.28139467  0.33642185  0.15984796
   0.24197469  0.09527194  0.44385770
   0.00266762  0.16399541  0.38031334
   0.00731951  0.03987591  0.54956070
   0.46695240  0.24363873  0.77123498
   0.11958979  0.27306900  0.53757688
   0.35824644  0.48593503  0.83534889
   0.46763313  0.46794823  0.66796949
   0.23262041  0.34363460  0.70090530
   0.30204327  0.22869364 -0.08607399
   0.04446681  0.16404431  0.88632285
   0.15575276  0.55682052  0.09134769
   0.36706833  0.67339267  0.25878457
   0.11892527  0.83232689  0.05209601
   0.40728067  0.93001859  0.33558067
   0.43343459  0.89619365  0.15252963
   0.18600676  0.84390886  0.22970092
   0.30866365  0.65423239  0.43943256
   0.05473919  0.63541335  0.41188476
   0.18271166  0.53557782  0.57152454
   0.29360979  0.74837144  0.77099966
   0.15119924  0.80232221  0.55641893
   0.36469861  1.01102523  0.80090235
   0.44990259  0.92739456  0.63135021
   0.17799578  0.96564168  0.68695050
   0.28737890  0.68581866 -0.04298506
   0.02197759  0.64071993  0.93556534
   0.63459113  0.05890404  0.10300177
   0.80933394  0.20073191  0.24575988
   0.61827340  0.31090136  0.03872598
   0.92291051  0.42638930  0.34125837
   0.02629499  0.35373107  0.19446551
   0.76931291  0.44343142  0.16355204
   0.74066169  0.17838466  0.42388875
   0.48178049  0.13282499  0.46214852
   0.67127425  0.06735813  0.57280783
   0.82332572  0.21832162  0.78047835
   0.60616163  0.32213131  0.53929472
   0.89777992  0.44478906  0.85414498
   0.99155120  0.42708233  0.66734489
   0.74653254  0.44859880  0.67474931
   0.80322562  0.13018730  0.96515395
   0.54627149  0.11706550  0.92461350
   0.54734772  0.56653520  0.07231143
   0.85056997  0.69102468  0.30863711
   0.61113596  0.80179785  0.03184330
   0.84574474  0.96433601  0.33442198
   0.92935807  0.86379960  0.17703875
   0.66841043  0.82925696  0.21023760
   0.79361765  0.58251284  0.46678576
   0.54547968  0.57460162  0.38038318
   0.58806488  0.60096836  0.56598359
   0.83070400  0.71512037  0.81196140
   0.62283796  0.79923548  0.41873741
   0.87619599  0.97178005  0.83247772
   0.93455879  0.83049679  0.66744693
   0.67631732  0.89804413  0.72512798
   0.75933902  0.58238653  0.96389660
   0.54094582  0.66864543  0.88308164
   0.64378930  0.80389604  0.57155497
   0.54277852  0.82743242  0.37920032
   0.89808632  0.23382066  0.08563392
   1.01286936  0.41648422  0.30480191
   0.32661194  0.13479094  0.62892072
   0.26273115  0.68982829  0.71423709
   0.09917514  1.14229349  0.17815797
   0.20991103  1.04326594 -0.00778671
   0.65206220  0.40204780  0.85298188
   0.91432039  0.42983893  0.62187738
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.970519    0.303717   -0.210239
    -0.000000    9.812033    0.091048
    -0.000000    0.000000   14.004362
   Si   O    H 
    32    64    10
Direct configuration=  1555
   0.16851816  0.17587031 -0.03627585
   0.37860973  0.08348636  0.38073264
   0.14734256  0.40215581  0.11405438
   0.38268590  0.33520122  0.24749466
   0.08998891  0.13437696  0.47605243
   0.41513387  0.14411837  0.85561160
   0.13175933  0.38744098  0.62065704
   0.38017267  0.39077259  0.74872958
   0.14109455  0.67878925  0.00336350
   0.38961425  0.57966229  0.35492738
   0.08360671  0.90468212  0.14935750
   0.35112556  0.83795794  0.24255189
   0.17172213  0.65424961  0.49334350
   0.37332521  0.65363340  0.85833068
   0.06137155  0.90974209  0.61426167
   0.33016372  1.01653435  0.68373201
   0.65251657  0.16279055  1.00562876
   0.85028785  0.12819109  0.34784704
   0.61576379  0.42947546  0.12077034
   0.87147163  0.31189434  0.16832836
   0.62620369  0.17372611  0.49595443
   0.89556723  0.12371935  0.86668923
   0.60645629  0.44754753  0.60932668
   0.77620538  0.38523448  0.78857703
   0.61516700  0.64821423 -0.01290817
   0.90581233  0.57779715  0.38671025
   0.58811239  0.90089930  0.12411824
   0.82440106  0.84024571  0.26089567
   0.64111691  0.63955192  0.46168730
   0.87500406  0.60405114  0.88717014
   0.61409479  0.92760130  0.61859901
   0.82999409  0.86124200  0.75913021
   0.10728514  0.06148580  0.14078323
   0.38319637  0.18284975  0.28460078
   0.11553317  0.30817683  0.02493640
   0.33386279  0.42513291  0.33795215
   0.53455012  0.36347252  0.20887210
   0.28109305  0.33502353  0.16021948
   0.24269489  0.09603001  0.44461821
   0.00136894  0.16406522  0.37950603
   0.00789707  0.03935719  0.54916891
   0.46705200  0.24515943  0.77184552
   0.11795404  0.27300487  0.53757914
   0.35802956  0.48593793  0.83487600
   0.46556965  0.46732711  0.66894814
   0.23331470  0.34462107  0.70105202
   0.30112355  0.23027756 -0.08736421
   0.04381261  0.16309799  0.88743334
   0.15591949  0.55974170  0.09209332
   0.36784863  0.67369461  0.25893897
   0.11957321  0.83310275  0.05154124
   0.40712135  0.93000231  0.33593826
   0.43291210  0.89797998  0.15207891
   0.18779851  0.84308042  0.23094160
   0.30960896  0.65473695  0.44111791
   0.05357609  0.63343205  0.41107752
   0.18290645  0.53437230  0.57157159
   0.29325031  0.74763897  0.77110357
   0.15219075  0.80235780  0.55629352
   0.36336209  1.01123951  0.80110732
   0.44874221  0.92845823  0.63039428
   0.17897384  0.96556272  0.68869682
   0.28785138  0.68502151 -0.04344071
   0.01906442  0.64040773  0.93487056
   0.63473057  0.06045377  0.10225099
   0.80846272  0.20095252  0.24527583
   0.61858899  0.30985831  0.03859037
   0.92298622  0.42771360  0.33979392
   0.02630018  0.35193869  0.19459789
   0.76889981  0.44235902  0.16320354
   0.74241285  0.18042387  0.42391822
   0.48311989  0.13094547  0.46093428
   0.67122019  0.06770167  0.57282874
   0.82423813  0.21961928  0.78004521
   0.60673160  0.32264474  0.53913747
   0.89720861  0.44629739  0.85239881
   0.98944088  0.42724245  0.66863514
   0.74727614  0.44885757  0.67511529
   0.80434451  0.13016246  0.96604050
   0.54401653  0.11718272  0.92443151
   0.54696150  0.56454057  0.07096565
   0.85105498  0.69063035  0.30839231
   0.61063101  0.80180622  0.03269724
   0.84774270  0.96443389  0.33420139
   0.92791031  0.86466361  0.17656979
   0.66898079  0.82787114  0.21026080
   0.79426604  0.58275052  0.46532744
   0.54608313  0.57504375  0.37990734
   0.58959493  0.60139069  0.56650865
   0.82940408  0.71574651  0.81156634
   0.62318654  0.80009960  0.41913290
   0.87752926  0.97090051  0.83314563
   0.93317221  0.83078039  0.66777520
   0.67815216  0.89783259  0.72537025
   0.76101315  0.58319320  0.96410877
   0.54199270  0.66976568  0.88261739
   0.64299536  0.80251950  0.57389403
   0.54529047  0.83597245  0.37639826
   0.89559702  0.23330748  0.08584310
   1.00992219  0.40994713  0.30614606
   0.32970316  0.13731385  0.63003792
   0.25773737  0.69240796  0.72078213
   0.10446666  1.13903554  0.17960916
   0.20326975  1.03957701 -0.00964469
   0.65193851  0.39587629  0.85001358
   0.91484429  0.43028269  0.62385883
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.971132    0.298149   -0.211708
    -0.000000    9.811652    0.090112
    -0.000000    0.000000   14.004120
   Si   O    H 
    32    64    10
Direct configuration=  1556
   0.16836050  0.17628632 -0.03667439
   0.37873153  0.08326125  0.38061969
   0.14663825  0.40071297  0.11337284
   0.38426027  0.33470961  0.24739493
   0.08980178  0.13593841  0.47608481
   0.41519482  0.14390846  0.85659905
   0.13134415  0.38789080  0.62058115
   0.38068416  0.39225742  0.74902017
   0.14166689  0.67950970  0.00360729
   0.39060249  0.57930445  0.35564646
   0.08266290  0.90404815  0.14943716
   0.35025389  0.83706721  0.24173291
   0.17213859  0.65416837  0.49383972
   0.37320783  0.65262895  0.85855748
   0.06300654  0.90976043  0.61419360
   0.33032698  1.01501614  0.68410626
   0.65243773  0.16233955  1.00553038
   0.84984143  0.12766998  0.34762832
   0.61592324  0.42935130  0.12115036
   0.87175323  0.31273673  0.16775639
   0.62692737  0.17312961  0.49485113
   0.89531893  0.12368416  0.86602856
   0.60669883  0.44753820  0.60970427
   0.77463293  0.38498480  0.78882824
   0.61532401  0.64868506 -0.01315786
   0.90803268  0.57756009  0.38680544
   0.58687124  0.89930308  0.12364552
   0.82439238  0.84130974  0.25990280
   0.64095803  0.64098206  0.46217719
   0.87516888  0.60415412  0.88705118
   0.61524140  0.92676660  0.61850678
   0.82859725  0.86210913  0.75979774
   0.10573749  0.06039291  0.14026784
   0.38480686  0.18346372  0.28527565
   0.11697950  0.30788040  0.02353811
   0.33295053  0.42642156  0.33781226
   0.53447864  0.36314088  0.20802288
   0.28070761  0.33405658  0.15987951
   0.24354659  0.09635812  0.44498380
   0.00007619  0.16424057  0.37899023
   0.00857874  0.03901175  0.54820347
   0.46676379  0.24636663  0.77198248
   0.11630215  0.27199116  0.53797005
   0.35696580  0.48631843  0.83486369
   0.46353771  0.46640136  0.66984507
   0.23496488  0.34553965  0.70122803
   0.30021441  0.23199706 -0.08888203
   0.04346920  0.16220965  0.88827952
   0.15583557  0.56273936  0.09277109
   0.36945310  0.67330945  0.25998955
   0.12044040  0.83367677  0.05104428
   0.40720023  0.92969197  0.33597898
   0.43212443  0.89975378  0.15155714
   0.18942239  0.84281107  0.23205310
   0.31029579  0.65604361  0.44249604
   0.05364596  0.63110898  0.41075732
   0.18280947  0.53305594  0.57168563
   0.29352090  0.74569894  0.77081083
   0.15293477  0.80220899  0.55611695
   0.36236168  1.01203344  0.80169243
   0.44826228  0.93017848  0.62907077
   0.17938775  0.96517908  0.69057792
   0.28861830  0.68484350 -0.04359825
   0.01732037  0.63943951  0.93424629
   0.63528906  0.06224413  0.10158504
   0.80868352  0.20164678  0.24473830
   0.61883651  0.30928671  0.03859820
   0.92321785  0.43000359  0.33847443
   0.02738779  0.34951046  0.19488210
   0.76818719  0.44168157  0.16292746
   0.74432536  0.18188478  0.42392622
   0.48365163  0.12928327  0.45999129
   0.67192032  0.06740890  0.57375346
   0.82527982  0.22088665  0.78012426
   0.60730288  0.32262527  0.53867340
   0.89678210  0.44860765  0.85114766
   0.98736818  0.42816551  0.66928383
   0.74715328  0.44951009  0.67592953
   0.80486303  0.12949616  0.96606959
   0.54192228  0.11704474  0.92487507
   0.54598245  0.56246168  0.06993200
   0.85149105  0.69019459  0.30808342
   0.61001728  0.80131497  0.03402908
   0.84934311  0.96426963  0.33421594
   0.92722168  0.86513641  0.17628108
   0.66963999  0.82641074  0.21051069
   0.79503210  0.58392842  0.46423292
   0.54674091  0.57510643  0.37908264
   0.59103820  0.60131578  0.56631716
   0.82761472  0.71634695  0.81120277
   0.62325458  0.80166087  0.41992268
   0.87861696  0.97022528  0.83370535
   0.93172285  0.83100958  0.66779399
   0.67928252  0.89849918  0.72545842
   0.76286366  0.58489526  0.96447845
   0.54211591  0.67022587  0.88173862
   0.64344989  0.79754782  0.57658922
   0.55247649  0.83808902  0.37649053
   0.89373123  0.23528309  0.08252271
   1.00171000  0.40467995  0.30886522
   0.33400592  0.14128079  0.63020439
   0.25443229  0.69237318  0.72794040
   0.10904880  1.14381595  0.18237386
   0.19667133  1.03178406 -0.01014319
   0.65130907  0.38913729  0.84421999
   0.91624736  0.42916577  0.62432493
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.971669    0.292930   -0.212520
    -0.000000    9.811378    0.088987
    -0.000000    0.000000   14.003338
   Si   O    H 
    32    64    10
Direct configuration=  1557
   0.16813136  0.17692982 -0.03704552
   0.37861832  0.08314105  0.38029881
   0.14583931  0.39938592  0.11293085
   0.38556888  0.33488277  0.24756025
   0.08970753  0.13728330  0.47569371
   0.41551133  0.14322698  0.85695549
   0.13083605  0.38862582  0.62039602
   0.38123249  0.39309472  0.74970282
   0.14221663  0.68026415  0.00386891
   0.39066790  0.57957310  0.35628038
   0.08135238  0.90280118  0.14988224
   0.34993685  0.83674288  0.24072969
   0.17231632  0.65384452  0.49472640
   0.37366548  0.65183001  0.85885954
   0.06433215  0.90957905  0.61369926
   0.33034368  1.01355808  0.68407462
   0.65241711  0.16159519  1.00542854
   0.84996973  0.12714753  0.34759664
   0.61573834  0.42927328  0.12149015
   0.87197622  0.31302187  0.16752226
   0.62748869  0.17299302  0.49345067
   0.89418780  0.12275739  0.86505053
   0.60652397  0.44810139  0.61040603
   0.77345631  0.38461509  0.78928151
   0.61549880  0.64967554 -0.01361300
   0.90944515  0.57707788  0.38632815
   0.58612810  0.89757411  0.12330863
   0.82409694  0.84218265  0.25931978
   0.64057976  0.64229819  0.46253480
   0.87523512  0.60448549  0.88719001
   0.61577242  0.92618813  0.61810733
   0.82727305  0.86332900  0.76034586
   0.10437449  0.05962195  0.14005366
   0.38621109  0.18333341  0.28615919
   0.11805291  0.30808193  0.02210990
   0.33274933  0.42844154  0.33733985
   0.53448646  0.36358534  0.20760995
   0.28127391  0.33330478  0.15978592
   0.24370527  0.09645857  0.44479693
  -0.00134849  0.16488107  0.37772664
   0.00997536  0.03846545  0.54788722
   0.46584806  0.24690125  0.77144830
   0.11425127  0.27143122  0.53849702
   0.35546003  0.48809186  0.83540268
   0.46232301  0.46514127  0.67050425
   0.23738733  0.34586983  0.70164796
   0.29935858  0.23362070 -0.09034289
   0.04290955  0.16071934  0.88976732
   0.15452322  0.56523967  0.09351062
   0.37091897  0.67231187  0.26113195
   0.12168385  0.83371021  0.05024078
   0.40757775  0.92938961  0.33665882
   0.43174287  0.90141254  0.15130224
   0.19127580  0.84343621  0.23271888
   0.31139665  0.65666879  0.44281668
   0.05397177  0.62917132  0.41107975
   0.18270386  0.53126994  0.57221016
   0.29497652  0.74451072  0.77113635
   0.15347151  0.80144495  0.55568417
   0.36184765  1.01308931  0.80218234
   0.44809782  0.93088224  0.62765623
   0.18000787  0.96454475  0.69318054
   0.28951611  0.68391870 -0.04470665
   0.01609514  0.63927616  0.93353516
   0.63585780  0.06382729  0.10136868
   0.80928918  0.20196510  0.24446315
   0.61852450  0.30965371  0.03888083
   0.92239044  0.43212426  0.33756749
   0.02906306  0.34873553  0.19570016
   0.76813608  0.44132447  0.16217057
   0.74558274  0.18365885  0.42352352
   0.48343903  0.12753192  0.45913845
   0.67332054  0.06732012  0.57486830
   0.82590988  0.22248820  0.77982347
   0.60805545  0.32387847  0.53816445
   0.89601672  0.45034946  0.84981849
   0.98557606  0.42965728  0.66936840
   0.74642820  0.44967248  0.67676923
   0.80543004  0.12849679  0.96586250
   0.54106371  0.11645318  0.92586162
   0.54535189  0.56046936  0.06929031
   0.85135279  0.69006367  0.30759705
   0.60997906  0.80015596  0.03519670
   0.85128926  0.96404799  0.33394843
   0.92674962  0.86497791  0.17557859
   0.67075478  0.82527452  0.21094063
   0.79523453  0.58519658  0.46391690
   0.54698798  0.57454073  0.37853662
   0.59233927  0.60095462  0.56588343
   0.82623498  0.71707491  0.81069784
   0.62316179  0.80370554  0.42124345
   0.88043829  0.96957921  0.83453500
   0.93108331  0.83127826  0.66734470
   0.68042014  0.89941245  0.72519287
   0.76483803  0.58774527  0.96506749
   0.54175367  0.67006884  0.88039284
   0.64248045  0.79724203  0.57966347
   0.56068140  0.84048345  0.37753686
   0.88809917  0.23624254  0.07887403
   1.00406139  0.39386840  0.30760215
   0.33608587  0.14350005  0.63114376
   0.24424193  0.67999093  0.72485110
   0.11371144  1.13990263  0.18370679
   0.19404459  1.02581118 -0.00938392
   0.64935845  0.38475536  0.83806540
   0.91358291  0.42923851  0.62316466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972142    0.287810   -0.212772
    -0.000000    9.811242    0.087771
    -0.000000    0.000000   14.002379
   Si   O    H 
    32    64    10
Direct configuration=  1558
   0.16769283  0.17743715 -0.03788660
   0.37845000  0.08286143  0.37974767
   0.14469430  0.39743529  0.11288150
   0.38727173  0.33470918  0.24788010
   0.08964456  0.13883166  0.47549533
   0.41611710  0.14264483  0.85701692
   0.13069174  0.38947902  0.62021341
   0.38142427  0.39334207  0.75014275
   0.14306396  0.68107583  0.00389461
   0.39078669  0.57928804  0.35675891
   0.08027664  0.90184822  0.15050342
   0.35025184  0.83639042  0.23932599
   0.17228161  0.65360380  0.49607848
   0.37367762  0.65076655  0.85887026
   0.06531568  0.90923427  0.61327383
   0.33026053  1.01159753  0.68477300
   0.65249597  0.16014308  1.00557326
   0.84962016  0.12667081  0.34700349
   0.61561402  0.42871434  0.12223682
   0.87268154  0.31335596  0.16743402
   0.62765328  0.17273336  0.49231583
   0.89369216  0.12281607  0.86427478
   0.60611250  0.44871446  0.61101274
   0.77267513  0.38445055  0.78903168
   0.61581208  0.65081183 -0.01409771
   0.91076441  0.57688227  0.38585477
   0.58589524  0.89640894  0.12272281
   0.82349806  0.84181755  0.25866173
   0.63989824  0.64415376  0.46230041
   0.87584475  0.60444075  0.88717833
   0.61534655  0.92629859  0.61798526
   0.82640995  0.86400107  0.76059135
   0.10331204  0.05981319  0.13994640
   0.38748467  0.18256568  0.28682675
   0.11909519  0.30730784  0.02084818
   0.33303076  0.43064366  0.33719946
   0.53401930  0.36304086  0.20750314
   0.28140501  0.33271949  0.15934232
   0.24392621  0.09636275  0.44424300
  -0.00334733  0.16511815  0.37725546
   0.01149130  0.03837264  0.54705859
   0.46450168  0.24810363  0.77104074
   0.11245574  0.27197312  0.53927712
   0.35357459  0.48984836  0.83639598
   0.46149575  0.46419788  0.67087172
   0.23979902  0.34662458  0.70248730
   0.29894329  0.23502806 -0.09202618
   0.04264293  0.15913940  0.89074273
   0.15239300  0.56702375  0.09485441
   0.37273093  0.67127816  0.26207585
   0.12275050  0.83341198  0.05006649
   0.40798075  0.92958395  0.33731128
   0.43130136  0.90343297  0.15065703
   0.19263631  0.84369772  0.23310216
   0.31299684  0.65632315  0.44333458
   0.05449027  0.62897239  0.41187723
   0.18279298  0.52989780  0.57227336
   0.29625353  0.74235480  0.77139650
   0.15399508  0.79947836  0.55470730
   0.36262604  1.01370211  0.80237367
   0.44850191  0.93089162  0.62623309
   0.18015068  0.96365636  0.69529081
   0.29035393  0.68312504 -0.04606688
   0.01518612  0.63923178  0.93279839
   0.63596290  0.06492643  0.10120866
   0.80999250  0.20221417  0.24433753
   0.61830650  0.31044236  0.03937803
   0.92216858  0.43321282  0.33712922
   0.03050626  0.34853202  0.19645883
   0.76693590  0.44068976  0.16099387
   0.74722515  0.18433578  0.42308308
   0.48285822  0.12621776  0.45808194
   0.67439015  0.06689872  0.57614951
   0.82646387  0.22405160  0.78012961
   0.60889164  0.32540187  0.53748325
   0.89552430  0.45202771  0.84848832
   0.98412095  0.43086008  0.67024417
   0.74560107  0.45002716  0.67783682
   0.80563794  0.12777776  0.96530041
   0.53975660  0.11520578  0.92708328
   0.54526242  0.55896665  0.06929886
   0.85132337  0.69026731  0.30679951
   0.61073684  0.79887525  0.03627274
   0.85358710  0.96429176  0.33354675
   0.92651802  0.86515694  0.17522433
   0.67244810  0.82455725  0.21134506
   0.79522847  0.58699779  0.46378488
   0.54744932  0.57416060  0.37745079
   0.59311711  0.60108655  0.56515769
   0.82503367  0.71804985  0.81001538
   0.62396259  0.80505420  0.42337387
   0.88129076  0.96863449  0.83552649
   0.93121540  0.83221003  0.66722831
   0.68132001  0.89937822  0.72476687
   0.76612931  0.59011556  0.96572057
   0.54069175  0.67022182  0.87885428
   0.64413173  0.79657786  0.57979605
   0.56060435  0.84297579  0.37591542
   0.88142907  0.23865648  0.07632643
   1.00694536  0.38553664  0.30766188
   0.33843691  0.14660276  0.63194907
   0.23923783  0.67804832  0.72668839
   0.11626398  1.12945670  0.18373028
   0.19764743  1.02217977 -0.00979690
   0.64459152  0.38135650  0.83575390
   0.90709368  0.43101856  0.62308480
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.973029    0.283531   -0.212542
    -0.000000    9.811144    0.085817
    -0.000000    0.000000   14.001158
   Si   O    H 
    32    64    10
Direct configuration=  1559
   0.16749728  0.17717101 -0.03888834
   0.37834727  0.08258848  0.37930194
   0.14346470  0.39550986  0.11291094
   0.38871052  0.33418009  0.24842083
   0.08973124  0.14040331  0.47502645
   0.41625606  0.14189798  0.85681270
   0.13030768  0.39002963  0.62016834
   0.38159425  0.39257642  0.75072325
   0.14392476  0.68241203  0.00396382
   0.39075120  0.57867804  0.35734710
   0.07996437  0.90091659  0.15076367
   0.35058160  0.83560918  0.23850247
   0.17326049  0.65355632  0.49766278
   0.37397825  0.65012062  0.85823060
   0.06551093  0.90884488  0.61344761
   0.33026391  1.01009872  0.68519086
   0.65195046  0.15842057  1.00572889
   0.84904882  0.12663672  0.34647452
   0.61595184  0.42764971  0.12303824
   0.87381245  0.31407483  0.16717171
   0.62791183  0.17198490  0.49188509
   0.89259756  0.12326196  0.86392650
   0.60559876  0.44949301  0.61208888
   0.77212393  0.38454028  0.78834054
   0.61621630  0.65167330 -0.01443741
   0.91183489  0.57678011  0.38458370
   0.58538326  0.89573561  0.12202724
   0.82279115  0.84096466  0.25817752
   0.63931043  0.64655079  0.46153111
   0.87732905  0.60470929  0.88694719
   0.61494671  0.92678245  0.61830632
   0.82610714  0.86447354  0.76046018
   0.10197882  0.05957916  0.13902159
   0.38846831  0.18152143  0.28800948
   0.12011831  0.30665697  0.02056112
   0.33230492  0.43246198  0.33657916
   0.53366562  0.36240857  0.20764237
   0.28209159  0.33263721  0.15860022
   0.24363681  0.09699513  0.44388469
  -0.00365089  0.16516064  0.37693324
   0.01310850  0.03760757  0.54624377
   0.46394640  0.24916325  0.77051069
   0.11142981  0.27259575  0.53980876
   0.35167173  0.49191888  0.83705671
   0.46134054  0.46360579  0.67113950
   0.24168980  0.34803206  0.70354998
   0.29814711  0.23630108 -0.09414915
   0.04263494  0.15771602  0.89180857
   0.14962796  0.56824569  0.09618746
   0.37509384  0.67059182  0.26314799
   0.12265630  0.83312947  0.04971570
   0.40878987  0.93015304  0.33774945
   0.43065969  0.90504868  0.15023769
   0.19371799  0.84411349  0.23400618
   0.31374009  0.65616243  0.44376448
   0.05559075  0.62955272  0.41254090
   0.18287417  0.52860536  0.57212577
   0.29670882  0.74035416  0.77186804
   0.15424167  0.79764729  0.55444713
   0.36353298  1.01266655  0.80196736
   0.44885832  0.93120614  0.62510981
   0.17912670  0.96369877  0.69698679
   0.29052575  0.68223894 -0.04653997
   0.01513786  0.64003854  0.93230260
   0.63570984  0.06543246  0.10102691
   0.81064462  0.20179685  0.24450138
   0.61760381  0.31142630  0.03968860
   0.92230331  0.43383032  0.33661661
   0.03200927  0.34818073  0.19702057
   0.76577653  0.44101693  0.15990489
   0.74905578  0.18490292  0.42254466
   0.48260725  0.12545796  0.45747495
   0.67550366  0.06584593  0.57723025
   0.82733554  0.22488628  0.78044282
   0.60956627  0.32658178  0.53712610
   0.89463727  0.45329927  0.84795310
   0.98267127  0.43099722  0.66991977
   0.74371958  0.45000883  0.67893062
   0.80615317  0.12758603  0.96463887
   0.53851742  0.11356779  0.92904469
   0.54492731  0.55841693  0.06935085
   0.85156300  0.69033583  0.30631200
   0.61111679  0.79846503  0.03650853
   0.85552872  0.96339388  0.33352900
   0.92672528  0.86556066  0.17477886
   0.67457613  0.82344069  0.21227599
   0.79510007  0.58854760  0.46383927
   0.54851783  0.57389303  0.37615848
   0.59341584  0.60089552  0.56447627
   0.82415888  0.71857025  0.80967542
   0.62485361  0.80585182  0.42570291
   0.88248769  0.96870542  0.83615104
   0.93141249  0.83264122  0.66691919
   0.68127905  0.89990299  0.72448087
   0.76661022  0.59206804  0.96663600
   0.53898904  0.66953359  0.87805548
   0.65046573  0.79651199  0.57857216
   0.55530513  0.84189340  0.37431390
   0.87685004  0.24200317  0.07389547
   1.00237213  0.38249080  0.31133393
   0.33838995  0.14755450  0.63408891
   0.24218123  0.68940181  0.73525251
   0.11911026  1.12818376  0.18951014
   0.20424515  1.02748981 -0.00977285
   0.64017142  0.37963577  0.83416543
   0.90616207  0.43919526  0.62545557
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.973511    0.279341   -0.212044
    -0.000000    9.811012    0.083751
    -0.000000    0.000000   14.000410
   Si   O    H 
    32    64    10
Direct configuration=  1560
   0.16784892  0.17659201 -0.03943121
   0.37784727  0.08188427  0.37875772
   0.14308542  0.39418310  0.11325314
   0.39049972  0.33406498  0.24915745
   0.08969936  0.14211019  0.47456146
   0.41555172  0.14121171  0.85683347
   0.12999196  0.39086933  0.61973064
   0.38168296  0.39170062  0.75149379
   0.14415159  0.68397659  0.00337952
   0.39053154  0.57857426  0.35787230
   0.08012716  0.89984855  0.15101212
   0.35096779  0.83492884  0.23790205
   0.17421315  0.65355059  0.49914918
   0.37456007  0.64968186  0.85729744
   0.06604674  0.90870473  0.61358511
   0.32971750  1.00981676  0.68541998
   0.65131122  0.15706624  1.00610313
   0.84884253  0.12681005  0.34580574
   0.61622894  0.42661721  0.12349608
   0.87471350  0.31452897  0.16665166
   0.62747311  0.17164064  0.49179629
   0.89142613  0.12370137  0.86396236
   0.60397418  0.45010623  0.61294286
   0.77186385  0.38429187  0.78757727
   0.61591006  0.65195620 -0.01459943
   0.91341021  0.57723623  0.38297818
   0.58465847  0.89491552  0.12119613
   0.82225554  0.83991775  0.25754292
   0.63911244  0.64832290  0.46060988
   0.87901858  0.60524148  0.88653447
   0.61483312  0.92708483  0.61847986
   0.82681018  0.86437812  0.75987712
   0.09987856  0.06087076  0.13835369
   0.38922913  0.18039981  0.28902411
   0.12085294  0.30668442  0.02014432
   0.33155474  0.43364969  0.33568039
   0.53312977  0.36224392  0.20767286
   0.28255575  0.33298709  0.15822037
   0.24278281  0.09881417  0.44303824
  -0.00390408  0.16496480  0.37662837
   0.01451873  0.03686511  0.54522634
   0.46364762  0.24979299  0.76978154
   0.10981725  0.27330127  0.54031988
   0.35031996  0.49434987  0.83750528
   0.46115819  0.46308470  0.67146998
   0.24307581  0.34887217  0.70392641
   0.29860522  0.23725971 -0.09584748
   0.04278686  0.15622973  0.89273773
   0.14669122  0.56859500  0.09726698
   0.37719619  0.67028057  0.26341509
   0.12263584  0.83291616  0.04850440
   0.40930319  0.92980066  0.33776876
   0.42983949  0.90644464  0.15022791
   0.19383953  0.84460970  0.23498119
   0.31498164  0.65542860  0.44414704
   0.05707118  0.62965542  0.41299490
   0.18315129  0.52786464  0.57148592
   0.29713280  0.73859014  0.77282490
   0.15400217  0.79589596  0.55432802
   0.36357103  1.01172862  0.80170273
   0.44862123  0.93195883  0.62471700
   0.17832638  0.96333077  0.69796944
   0.29052412  0.68135925 -0.04697429
   0.01583101  0.64111163  0.93164834
   0.63582631  0.06545206  0.10081986
   0.81164253  0.20229677  0.24441118
   0.61613326  0.31237989  0.03977142
   0.92151190  0.43284767  0.33645983
   0.03339560  0.34788883  0.19694445
   0.76468689  0.44178507  0.15929418
   0.75011671  0.18586674  0.42240151
   0.48245866  0.12423956  0.45681760
   0.67723940  0.06502321  0.57762092
   0.82838400  0.22573151  0.78070795
   0.60978662  0.32758703  0.53694449
   0.89453422  0.45441103  0.84707886
   0.98195918  0.43096273  0.66923006
   0.74132043  0.45040149  0.67973617
   0.80610085  0.12847104  0.96411280
   0.53741870  0.11233240  0.93069280
   0.54426843  0.55828157  0.06938116
   0.85147141  0.69093015  0.30570930
   0.61227288  0.79761269  0.03644896
   0.85675139  0.96214966  0.33337900
   0.92715295  0.86515414  0.17401402
   0.67635386  0.82337201  0.21273703
   0.79568631  0.58947810  0.46412303
   0.54930034  0.57367740  0.37490672
   0.59386812  0.60072823  0.56395258
   0.82365810  0.71873056  0.80900112
   0.62566411  0.80673749  0.42763536
   0.88369576  0.96881275  0.83633900
   0.93220856  0.83398412  0.66680672
   0.67993355  0.90109070  0.72443855
   0.76649501  0.59438106  0.96761683
   0.53734766  0.66940660  0.87794703
   0.65696128  0.79616217  0.57826669
   0.55310709  0.83552932  0.37618975
   0.87207308  0.24591437  0.07166484
   0.99507863  0.38407818  0.31534312
   0.33655135  0.14528817  0.63802963
   0.23389527  0.69100848  0.73735640
   0.12076148  1.12607683  0.19364153
   0.21115426  1.03746999 -0.00819246
   0.63745897  0.38163198  0.83383451
   0.90502802  0.44582969  0.62640029
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974128    0.274986   -0.211437
    -0.000000    9.811120    0.081492
    -0.000000    0.000000   13.999282
   Si   O    H 
    32    64    10
Direct configuration=  1561
   0.16792082  0.17567639 -0.03985015
   0.37747622  0.08090058  0.37871854
   0.14292462  0.39388011  0.11352380
   0.39121005  0.33372006  0.24968984
   0.08997129  0.14380762  0.47388910
   0.41520899  0.14055140  0.85687866
   0.12916633  0.39142403  0.61904205
   0.38137821  0.39051515  0.75221707
   0.14420593  0.68547910  0.00277522
   0.39078676  0.57867916  0.35830275
   0.08054985  0.89869365  0.15097894
   0.35179770  0.83483275  0.23752245
   0.17486821  0.65321035  0.50049702
   0.37481955  0.64952447  0.85694019
   0.06666493  0.90897828  0.61408745
   0.32981742  1.01001729  0.68572978
   0.65052133  0.15606711  1.00637898
   0.84774744  0.12685850  0.34478790
   0.61613537  0.42556596  0.12347545
   0.87499213  0.31492740  0.16572043
   0.62730125  0.17150329  0.49191997
   0.89037865  0.12360745  0.86375844
   0.60257426  0.45016007  0.61331411
   0.77137720  0.38406620  0.78701119
   0.61577871  0.65224264 -0.01464356
   0.91436118  0.57884417  0.38183644
   0.58415384  0.89511989  0.12049495
   0.82140390  0.83854197  0.25681060
   0.63942094  0.64927940  0.45919906
   0.87995969  0.60599592  0.88562809
   0.61439513  0.92714176  0.61869937
   0.82776305  0.86417496  0.75901180
   0.09796571  0.06224396  0.13763754
   0.38935523  0.17957094  0.28993259
   0.12171001  0.30704303  0.01965169
   0.33066707  0.43432222  0.33467324
   0.53324434  0.36225778  0.20735709
   0.28325439  0.33384138  0.15814171
   0.24241087  0.10035534  0.44215616
  -0.00282896  0.16512364  0.37692807
   0.01552710  0.03535257  0.54453924
   0.46364111  0.24990078  0.76999760
   0.10823336  0.27426026  0.54098301
   0.34898873  0.49612080  0.83874133
   0.46144180  0.46288764  0.67127588
   0.24411372  0.34940725  0.70420822
   0.29951296  0.23782234 -0.09723422
   0.04302593  0.15466551  0.89337463
   0.14354116  0.56957264  0.09785215
   0.37924326  0.66988900  0.26287269
   0.12249063  0.83341620  0.04714186
   0.40895922  0.92880636  0.33726263
   0.42768081  0.90760683  0.15086455
   0.19343094  0.84568405  0.23577349
   0.31662001  0.65435868  0.44529227
   0.05857965  0.62966154  0.41308465
   0.18425514  0.52734130  0.57129687
   0.29753436  0.73783326  0.77415230
   0.15329617  0.79384015  0.55337556
   0.36418464  1.01102668  0.80139568
   0.44867894  0.93217959  0.62426115
   0.17701484  0.96196770  0.69847193
   0.29033828  0.68068303 -0.04684483
   0.01749048  0.64218108  0.93140338
   0.63641686  0.06531800  0.10028938
   0.81239028  0.20397817  0.24382024
   0.61499351  0.31394658  0.04010907
   0.92031317  0.43198917  0.33585190
   0.03509637  0.34813456  0.19658632
   0.76446116  0.44270522  0.15942027
   0.75070989  0.18807875  0.42282438
   0.48245809  0.12346770  0.45673008
   0.67865657  0.06407358  0.57803785
   0.82902120  0.22577574  0.78130233
   0.61030520  0.32780554  0.53698793
   0.89428905  0.45476098  0.84605250
   0.98200745  0.43110031  0.66835946
   0.73922862  0.45097519  0.68100885
   0.80555739  0.12891752  0.96340416
   0.53594718  0.11171460  0.93225343
   0.54345967  0.55720106  0.06910098
   0.85167111  0.69228468  0.30591812
   0.61268528  0.79771875  0.03609188
   0.85836119  0.96031966  0.33296111
   0.92748923  0.86493554  0.17296098
   0.67784760  0.82325458  0.21311606
   0.79687771  0.59060399  0.46407308
   0.54985684  0.57264573  0.37405704
   0.59402609  0.60157817  0.56342514
   0.82281074  0.71891706  0.80902389
   0.62585215  0.80806828  0.42872582
   0.88468166  0.96801133  0.83698473
   0.93249244  0.83577124  0.66690729
   0.67827592  0.90202607  0.72388182
   0.76689251  0.59633851  0.96874622
   0.53518241  0.66958927  0.87822685
   0.66420371  0.79849017  0.57659411
   0.55480378  0.82650472  0.38263861
   0.86897059  0.25413104  0.07310933
   0.99756124  0.38181244  0.31654442
   0.33200375  0.14133122  0.64154991
   0.22140279  0.68671969  0.73540275
   0.12237859  1.11558445  0.19686370
   0.21670496  1.04564396 -0.00440865
   0.63954864  0.38316245  0.83338269
   0.90314575  0.45178490  0.62532601
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974793    0.270989   -0.210854
    -0.000000    9.811436    0.079871
    -0.000000    0.000000   13.998229
   Si   O    H 
    32    64    10
Direct configuration=  1562
   0.16836556  0.17504165 -0.03935374
   0.37749463  0.08002790  0.37862679
   0.14310108  0.39403350  0.11352136
   0.39157904  0.33318861  0.25007926
   0.09064156  0.14551754  0.47308014
   0.41518288  0.14048454  0.85662874
   0.12822652  0.39190729  0.61886049
   0.38105169  0.38947576  0.75328593
   0.14406184  0.68637953  0.00237907
   0.39090282  0.57941873  0.35890783
   0.08087259  0.89757371  0.15128602
   0.35255205  0.83468633  0.23772994
   0.17563371  0.65289824  0.50136932
   0.37526379  0.64981943  0.85684265
   0.06759881  0.90954588  0.61433390
   0.32919578  1.01013493  0.68577606
   0.64927403  0.15576454  1.00637107
   0.84678250  0.12669971  0.34376882
   0.61575386  0.42505516  0.12331229
   0.87534119  0.31502111  0.16499920
   0.62735449  0.17131880  0.49254981
   0.88963677  0.12443724  0.86369572
   0.60105196  0.44984427  0.61388918
   0.77064997  0.38356754  0.78649195
   0.61533239  0.65233256 -0.01433118
   0.91501477  0.58049831  0.38068859
   0.58367431  0.89594423  0.12050991
   0.82113041  0.83711763  0.25645289
   0.63972905  0.64972798  0.45723780
   0.88010216  0.60680640  0.88443225
   0.61337693  0.92795087  0.61852161
   0.82882501  0.86417082  0.75771727
   0.09698977  0.06375113  0.13742608
   0.38948745  0.17948600  0.29054374
   0.12296202  0.30714304  0.01899487
   0.32918760  0.43459780  0.33358614
   0.53315564  0.36136784  0.20718472
   0.28388801  0.33555748  0.15805635
   0.24154395  0.10139425  0.44131900
  -0.00166407  0.16574655  0.37768247
   0.01607089  0.03337614  0.54422593
   0.46399639  0.25009881  0.77019948
   0.10644822  0.27490675  0.54156640
   0.34736464  0.49724973  0.83960175
   0.46199316  0.46372659  0.67076442
   0.24440676  0.34946872  0.70367406
   0.29980414  0.23787185 -0.09865558
   0.04250173  0.15305962  0.89379383
   0.14031916  0.56991506  0.09827797
   0.38135910  0.67024484  0.26204773
   0.12256761  0.83451515  0.04614052
   0.40871239  0.92704374  0.33651520
   0.42622177  0.90852430  0.15139310
   0.19233894  0.84693741  0.23588064
   0.31834111  0.65389024  0.44623977
   0.06010872  0.63017386  0.41344956
   0.18543029  0.52678162  0.57108046
   0.29746006  0.73612883  0.77495205
   0.15187319  0.79194336  0.55252971
   0.36464797  1.01045186  0.80122393
   0.44861186  0.93199829  0.62384884
   0.17573234  0.96054444  0.69937663
   0.28997589  0.68005223 -0.04628324
   0.01976553  0.64313904  0.93147056
   0.63612084  0.06402372  0.09938945
   0.81398782  0.20497930  0.24279739
   0.61381453  0.31500229  0.03940842
   0.91906096  0.43161936  0.33528747
   0.03558656  0.34810807  0.19626254
   0.76565225  0.44398289  0.15953384
   0.75130879  0.19038521  0.42285340
   0.48261817  0.12266536  0.45715782
   0.67939796  0.06285244  0.57859940
   0.83004317  0.22666253  0.78169454
   0.61068926  0.32721639  0.53751415
   0.89440990  0.45508583  0.84553544
   0.98296063  0.43183173  0.66731284
   0.73696544  0.45066275  0.68162882
   0.80537256  0.12916595  0.96311083
   0.53438297  0.11103327  0.93371345
   0.54294198  0.55606574  0.06903251
   0.85218056  0.69282146  0.30598215
   0.61285699  0.79803922  0.03580575
   0.85959087  0.95872921  0.33257193
   0.92760865  0.86473735  0.17185906
   0.67860256  0.82309252  0.21280187
   0.79822123  0.59172847  0.46429668
   0.55171487  0.57129833  0.37328249
   0.59442487  0.60182397  0.56296410
   0.82231597  0.71873048  0.80909985
   0.62534037  0.80855492  0.42956869
   0.88543721  0.96671120  0.83703162
   0.93302389  0.83795283  0.66691930
   0.67708286  0.90319486  0.72355252
   0.76678569  0.59735374  0.96942304
   0.53423993  0.66973528  0.87888134
   0.67021382  0.80439727  0.57596531
   0.55441059  0.81949533  0.38418850
   0.86598901  0.26140618  0.07464778
   1.00213481  0.37893063  0.31980101
   0.32651148  0.13942185  0.64463022
   0.21961346  0.68883639  0.73892624
   0.12302812  1.10430709  0.19788252
   0.22236215  1.05035029 -0.00018715
   0.63822871  0.38440026  0.83252439
   0.90719920  0.45707720  0.62477694
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975549    0.266646   -0.209907
    -0.000000    9.811595    0.078366
    -0.000000    0.000000   13.996870
   Si   O    H 
    32    64    10
Direct configuration=  1563
   0.16924316  0.17464426 -0.03891440
   0.37728597  0.07923824  0.37842322
   0.14368376  0.39460842  0.11339790
   0.39154864  0.33245400  0.25068400
   0.09107096  0.14739499  0.47216892
   0.41513227  0.14086074  0.85660763
   0.12766550  0.39303445  0.61903303
   0.38040138  0.38864476  0.75417278
   0.14347840  0.68631549  0.00221350
   0.39123648  0.58025447  0.35941889
   0.08137578  0.89661525  0.15224556
   0.35297639  0.83462175  0.23847518
   0.17571901  0.65232824  0.50208495
   0.37541039  0.64958228  0.85686751
   0.06793969  0.90958744  0.61476861
   0.32856321  1.00971523  0.68572486
   0.64852648  0.15560134  1.00627041
   0.84586083  0.12626353  0.34287503
   0.61533889  0.42416726  0.12286234
   0.87621566  0.31538410  0.16497710
   0.62763101  0.17145776  0.49383729
   0.88881153  0.12482545  0.86365438
   0.59962410  0.45015686  0.61428201
   0.76930310  0.38290613  0.78640061
   0.61443126  0.65210227 -0.01400829
   0.91591388  0.58228483  0.37955203
   0.58369509  0.89789458  0.12006466
   0.82064139  0.83579667  0.25622442
   0.63999558  0.65084705  0.45555881
   0.87957152  0.60768724  0.88363095
   0.61204396  0.92846721  0.61859958
   0.83011481  0.86424643  0.75642693
   0.09609432  0.06504726  0.13781348
   0.38950576  0.17885066  0.29067522
   0.12435938  0.30708535  0.01959528
   0.32785979  0.43513095  0.33209364
   0.53333897  0.36058144  0.20661633
   0.28423344  0.33776858  0.15865201
   0.24115301  0.10181209  0.44012075
  -0.00098266  0.16652643  0.37818182
   0.01629843  0.03207033  0.54345011
   0.46531534  0.24999243  0.77078664
   0.10487179  0.27536683  0.54195836
   0.34577555  0.49691625  0.84028472
   0.46247190  0.46538894  0.67033020
   0.24400834  0.34848557  0.70287183
   0.29914561  0.23780894 -0.10026872
   0.04158317  0.15087411  0.89344886
   0.13698238  0.57006092  0.09804366
   0.38280289  0.67137773  0.26050681
   0.12181641  0.83561100  0.04533124
   0.40807799  0.92518249  0.33564424
   0.42465833  0.90932182  0.15151093
   0.19138527  0.84819728  0.23604824
   0.31951002  0.65287696  0.44743406
   0.06126201  0.63061079  0.41417883
   0.18655515  0.52632399  0.57107362
   0.29740952  0.73453053  0.77497727
   0.14996429  0.79118074  0.55218401
   0.36520553  1.00993866  0.80067703
   0.44865629  0.93105955  0.62435178
   0.17411738  0.95897393  0.69914325
   0.28935012  0.68035126 -0.04569214
   0.02228118  0.64392934  0.93200039
   0.63605046  0.06225510  0.09834223
   0.81519244  0.20651705  0.24116226
   0.61267512  0.31589003  0.03845752
   0.91740446  0.43167317  0.33483177
   0.03595061  0.34784860  0.19618109
   0.76766091  0.44572711  0.16031415
   0.75210359  0.19308742  0.42328071
   0.48236123  0.12192060  0.45758270
   0.67965705  0.06137985  0.57897745
   0.83085990  0.22741586  0.78238705
   0.61067424  0.32665345  0.53769068
   0.89448004  0.45519676  0.84517808
   0.98419848  0.43292223  0.66652207
   0.73554032  0.45076136  0.68270906
   0.80445331  0.12989780  0.96215360
   0.53253511  0.11037400  0.93467561
   0.54191913  0.55574558  0.06848835
   0.85275470  0.69313312  0.30633831
   0.61337773  0.79833652  0.03525897
   0.86113540  0.95692229  0.33225175
   0.92783337  0.86454013  0.17089889
   0.67809460  0.82292156  0.21266477
   0.79933246  0.59282071  0.46418706
   0.55291910  0.56956625  0.37269836
   0.59512714  0.60173111  0.56242460
   0.82203696  0.71839949  0.80844007
   0.62548686  0.80915720  0.43022923
   0.88613090  0.96491312  0.83616370
   0.93360994  0.83990887  0.66722523
   0.67604840  0.90401251  0.72310537
   0.76624788  0.59829751  0.96984305
   0.53388864  0.66997973  0.88027353
   0.67498681  0.81105321  0.57545854
   0.54652364  0.81669751  0.38046356
   0.86566290  0.26449308  0.07201913
   1.00782968  0.38153310  0.32229231
   0.31870742  0.14361810  0.64250211
   0.22800695  0.69437000  0.74427824
   0.12340196  1.09414294  0.20092642
   0.22613258  1.05211237  0.00556723
   0.63543485  0.38670192  0.83156076
   0.91360583  0.46176619  0.62245972
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975915    0.262319   -0.209117
    -0.000000    9.811580    0.076262
    -0.000000    0.000000   13.996043
   Si   O    H 
    32    64    10
Direct configuration=  1564
   0.17082348  0.17472142 -0.03847458
   0.37695247  0.07895209  0.37823334
   0.14363709  0.39512925  0.11349697
   0.39098036  0.33171374  0.25120137
   0.09138277  0.14912589  0.47123341
   0.41498828  0.14148446  0.85625842
   0.12730087  0.39432974  0.61930696
   0.38074833  0.38784583  0.75490949
   0.14299520  0.68574123  0.00234365
   0.39095296  0.58147057  0.35962693
   0.08249071  0.89546344  0.15309720
   0.35347424  0.83445865  0.23945684
   0.17523194  0.65224897  0.50260929
   0.37540247  0.64925890  0.85680238
   0.06809057  0.90931191  0.61528235
   0.32795772  1.00921671  0.68559923
   0.64810892  0.15591171  1.00602321
   0.84565549  0.12569440  0.34187988
   0.61518012  0.42373182  0.12227932
   0.87712843  0.31550113  0.16482392
   0.62797636  0.17134545  0.49478579
   0.88842828  0.12455738  0.86301194
   0.59812409  0.44991469  0.61444750
   0.76842586  0.38227588  0.78624923
   0.61340639  0.65273155 -0.01360796
   0.91644905  0.58388890  0.37906045
   0.58410487  0.89942820  0.11948432
   0.82024131  0.83476869  0.25595935
   0.64016101  0.65082839  0.45451006
   0.87993692  0.60833229  0.88291599
   0.61096662  0.92838675  0.61870567
   0.83132569  0.86429565  0.75549934
   0.09521904  0.06552678  0.13831432
   0.38932456  0.17801045  0.29104911
   0.12522799  0.30657123  0.02007192
   0.32694911  0.43548926  0.33106599
   0.53343571  0.36026000  0.20670096
   0.28402723  0.34016602  0.15931507
   0.24105212  0.10195062  0.43817329
  -0.00014566  0.16792705  0.37810896
   0.01677222  0.02992831  0.54247293
   0.46668600  0.24927301  0.77092726
   0.10384623  0.27578362  0.54176588
   0.34498609  0.49556498  0.84095922
   0.46351244  0.46697506  0.67053704
   0.24249679  0.34773259  0.70204083
   0.29872894  0.23751173 -0.10137452
   0.04002536  0.14911489  0.89328944
   0.13376005  0.56968219  0.09775512
   0.38360082  0.67277914  0.25884810
   0.12112285  0.83709260  0.04411302
   0.40733273  0.92290808  0.33470997
   0.42302288  0.91040371  0.15164611
   0.19001435  0.84876625  0.23629168
   0.32032083  0.65171732  0.44835210
   0.06258976  0.63140047  0.41525028
   0.18727259  0.52636266  0.57116953
   0.29805353  0.73296122  0.77547837
   0.14857305  0.79055754  0.55202486
   0.36662726  1.00944476  0.80055203
   0.44860445  0.92969379  0.62437171
   0.17295990  0.95742816  0.69837461
   0.28867269  0.67979114 -0.04510120
   0.02314312  0.64398905  0.93271004
   0.63546392  0.06010254  0.09773519
   0.81683436  0.20775940  0.23996852
   0.61173883  0.31650561  0.03706098
   0.91630881  0.43239641  0.33404129
   0.03505005  0.34725824  0.19614485
   0.76899957  0.44720034  0.16101583
   0.75236354  0.19591342  0.42382209
   0.48178574  0.12140317  0.45771271
   0.67983901  0.06064887  0.57927704
   0.83216355  0.22794227  0.78293419
   0.61092709  0.32625198  0.53772276
   0.89410865  0.45552370  0.84467977
   0.98604586  0.43350229  0.66586221
   0.73370469  0.45029538  0.68356600
   0.80385163  0.13075349  0.96141811
   0.53121122  0.10938485  0.93532741
   0.54111289  0.55505918  0.06862634
   0.85421682  0.69312644  0.30679266
   0.61374359  0.79902854  0.03492303
   0.86229780  0.95524315  0.33125130
   0.92796534  0.86355683  0.17020465
   0.67679498  0.82348384  0.21255453
   0.80024439  0.59339065  0.46402851
   0.55402676  0.56825991  0.37234335
   0.59628212  0.60189382  0.56198906
   0.82096522  0.71851952  0.80788057
   0.62455507  0.80981776  0.43014900
   0.88728737  0.96399246  0.83537622
   0.93468880  0.84256106  0.66747753
   0.67534915  0.90484499  0.72273002
   0.76669544  0.59946959  0.97021225
   0.53445842  0.67117339  0.88145006
   0.67798345  0.81582714  0.57571306
   0.54456259  0.81846622  0.38100124
   0.86764807  0.26474138  0.06611547
   1.00728114  0.39010441  0.32377062
   0.30852801  0.15115924  0.63979541
   0.22476882  0.69535591  0.74565921
   0.12617310  1.09005523  0.20486736
   0.22855730  1.05358189  0.01049938
   0.63746481  0.39086186  0.83113609
   0.91916086  0.46698235  0.62196042
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975937    0.257725   -0.208510
    -0.000000    9.811814    0.074321
    -0.000000    0.000000   13.995241
   Si   O    H 
    32    64    10
Direct configuration=  1565
   0.17181924  0.17563568 -0.03814682
   0.37688773  0.07859148  0.37808073
   0.14361832  0.39626956  0.11393492
   0.39088890  0.33097450  0.25195379
   0.09228787  0.15051694  0.47067484
   0.41474367  0.14212677  0.85551692
   0.12672919  0.39550877  0.61979429
   0.38066269  0.38766340  0.75527169
   0.14274314  0.68490945  0.00292221
   0.39007900  0.58277726  0.35960312
   0.08415278  0.89499882  0.15394921
   0.35415008  0.83454083  0.24072877
   0.17410627  0.65207169  0.50302546
   0.37524218  0.64915837  0.85733036
   0.06859409  0.90836951  0.61547094
   0.32839210  1.00925447  0.68544618
   0.64791184  0.15568198  1.00614408
   0.84548200  0.12523938  0.34145228
   0.61538256  0.42342720  0.12138596
   0.87841260  0.31488512  0.16499155
   0.62818449  0.17125827  0.49563231
   0.88797619  0.12433507  0.86253128
   0.59752866  0.44988893  0.61435653
   0.76760090  0.38194624  0.78635963
   0.61281245  0.65302821 -0.01287668
   0.91616827  0.58548414  0.37863219
   0.58516019  0.90119707  0.11908527
   0.82013941  0.83343283  0.25591803
   0.64045704  0.65029739  0.45391021
   0.88024112  0.60892120  0.88267499
   0.60995769  0.92808513  0.61880199
   0.83227937  0.86416190  0.75468377
   0.09427370  0.06548982  0.13909173
   0.38922924  0.17780159  0.29037527
   0.12600491  0.30616326  0.01994933
   0.32685779  0.43549140  0.33044367
   0.53313144  0.36032635  0.20700988
   0.28366745  0.34221910  0.16011105
   0.24064333  0.10258388  0.43612590
   0.00029958  0.16957889  0.37756042
   0.01674286  0.02716296  0.54160872
   0.46821977  0.24857411  0.77160911
   0.10372107  0.27595115  0.54176284
   0.34438031  0.49377521  0.84134294
   0.46395470  0.46841409  0.67123963
   0.24008717  0.34648629  0.70083459
   0.29842876  0.23723262 -0.10204344
   0.03825086  0.14787738  0.89353845
   0.13110013  0.56887204  0.09670144
   0.38450309  0.67449377  0.25755685
   0.12110094  0.83879544  0.04345160
   0.40585963  0.92128270  0.33418467
   0.42179861  0.91210681  0.15146230
   0.18931203  0.84996330  0.23625826
   0.32115372  0.65066816  0.44955716
   0.06367078  0.63178213  0.41541388
   0.18876664  0.52572497  0.57112896
   0.29953223  0.73278683  0.77502851
   0.14746085  0.79036656  0.55208856
   0.36835918  1.00890899  0.80044890
   0.44909845  0.92894157  0.62443636
   0.17139891  0.95613707  0.69743827
   0.28759652  0.67933062 -0.04465934
   0.02371434  0.64354238  0.93277830
   0.63433866  0.05758890  0.09778247
   0.81839810  0.20745252  0.23921778
   0.61106995  0.31667208  0.03542478
   0.91581572  0.43205649  0.33330369
   0.03401549  0.34732557  0.19589897
   0.77064633  0.44884381  0.16217636
   0.75217033  0.19806097  0.42366396
   0.48164927  0.12038217  0.45835270
   0.67955653  0.06049834  0.57939226
   0.83337237  0.22851655  0.78296857
   0.61119940  0.32638222  0.53768308
   0.89311457  0.45524599  0.84400068
   0.98810581  0.43361214  0.66499355
   0.73210351  0.45015399  0.68424521
   0.80295274  0.13213529  0.96020060
   0.52984225  0.10758143  0.93612974
   0.54002537  0.55538165  0.06906820
   0.85539141  0.69278183  0.30664950
   0.61463777  0.80053917  0.03492482
   0.86295783  0.95527265  0.33020829
   0.92836024  0.86252954  0.16954904
   0.67408322  0.82450835  0.21180272
   0.80101316  0.59447381  0.46409614
   0.55508519  0.56706195  0.37254125
   0.59696010  0.60217032  0.56153348
   0.82046620  0.71830515  0.80752126
   0.62411309  0.81076163  0.43031655
   0.88814368  0.96277787  0.83459370
   0.93600940  0.84527908  0.66692341
   0.67405251  0.90499960  0.72301130
   0.76653023  0.60099419  0.97085490
   0.53494671  0.67257958  0.88243520
   0.68222267  0.81995505  0.57497432
   0.54625367  0.82214822  0.38639392
   0.86686162  0.26584606  0.06429800
   1.00282985  0.39992189  0.32366249
   0.29657175  0.15225657  0.64010656
   0.21295892  0.69270158  0.74565970
   0.12654099  1.08468207  0.20546555
   0.22890450  1.05634787  0.01267745
   0.64061331  0.39450207  0.83217444
   0.92291156  0.47505584  0.62045312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975735    0.253299   -0.207236
    -0.000000    9.812240    0.071903
    -0.000000    0.000000   13.995018
   Si   O    H 
    32    64    10
Direct configuration=  1566
   0.17237110  0.17634002 -0.03821317
   0.37716006  0.07850126  0.37775141
   0.14291290  0.39737168  0.11428333
   0.39081106  0.33015523  0.25287111
   0.09294769  0.15095349  0.47055441
   0.41481047  0.14273101  0.85557322
   0.12672315  0.39643799  0.62009672
   0.37989443  0.38839053  0.75539182
   0.14277108  0.68401800  0.00366081
   0.38942242  0.58372378  0.35942628
   0.08577437  0.89544231  0.15437812
   0.35405650  0.83429569  0.24233381
   0.17320254  0.65196710  0.50269757
   0.37485993  0.64894668  0.85775637
   0.06926502  0.90716439  0.61567562
   0.32840769  1.00917587  0.68517852
   0.64822018  0.15600612  1.00585756
   0.84577257  0.12484084  0.34079119
   0.61577141  0.42325165  0.12065901
   0.87910063  0.31371902  0.16472976
   0.62829774  0.17066612  0.49625381
   0.88734080  0.12412572  0.86206970
   0.59761833  0.44993331  0.61402664
   0.76680780  0.38142654  0.78673222
   0.61253122  0.65289069 -0.01202800
   0.91490520  0.58676172  0.37868892
   0.58606636  0.90251889  0.11953983
   0.82096920  0.83327420  0.25588695
   0.64113390  0.64918875  0.45374615
   0.88080113  0.60919196  0.88264165
   0.60936784  0.92791729  0.61860245
   0.83310121  0.86414640  0.75373565
   0.09436979  0.06389942  0.14009041
   0.38940401  0.17775980  0.28937956
   0.12675702  0.30640055  0.01971524
   0.32612081  0.43561816  0.33012407
   0.53318504  0.36036051  0.20725626
   0.28373433  0.34443808  0.16169040
   0.24004668  0.10296428  0.43430732
   0.00106872  0.17115901  0.37705856
   0.01673495  0.02449771  0.54075722
   0.47009313  0.24785387  0.77238082
   0.10390090  0.27644653  0.54180349
   0.34439634  0.49260168  0.84139272
   0.46402695  0.46907379  0.67214564
   0.23697967  0.34468706  0.69978013
   0.29820939  0.23740482 -0.10300754
   0.03733387  0.14604746  0.89381346
   0.12812810  0.56839816  0.09591303
   0.38548405  0.67674556  0.25638244
   0.12087244  0.84041808  0.04278813
   0.40405145  0.92058008  0.33422949
   0.42110430  0.91211458  0.15173554
   0.18930172  0.85167130  0.23596473
   0.32202271  0.64917515  0.45020620
   0.06426652  0.63157587  0.41554718
   0.19036983  0.52514103  0.57128780
   0.29973195  0.73321679  0.77416918
   0.14580790  0.79143873  0.55296966
   0.37032008  1.00777019  0.80071316
   0.44823806  0.92874576  0.62474981
   0.16989819  0.95488633  0.69634503
   0.28658768  0.67845792 -0.04404884
   0.02411966  0.64296990  0.93319739
   0.63368154  0.05464642  0.09815448
   0.81936122  0.20606039  0.23941361
   0.61092009  0.31590759  0.03400221
   0.91408540  0.43213774  0.33234569
   0.03346864  0.34753642  0.19596982
   0.77175171  0.44950844  0.16282536
   0.75122103  0.19872494  0.42336082
   0.48216991  0.12006572  0.45877502
   0.67918019  0.06095847  0.57864794
   0.83408555  0.22908702  0.78328510
   0.61093454  0.32665400  0.53750472
   0.89153156  0.45441517  0.84341175
   0.98962689  0.43364983  0.66451845
   0.73012789  0.45017935  0.68425223
   0.80136678  0.13417272  0.95887798
   0.52930146  0.10567167  0.93638337
   0.53861991  0.55622769  0.06917054
   0.85673149  0.69272243  0.30643535
   0.61564493  0.80136798  0.03460900
   0.86340859  0.95619293  0.32981584
   0.92920646  0.86220667  0.16955404
   0.67140239  0.82545817  0.21059191
   0.80090730  0.59534124  0.46404111
   0.55623080  0.56608256  0.37297238
   0.59731291  0.60252789  0.56121511
   0.81974586  0.71798578  0.80648187
   0.62343046  0.81201180  0.43050798
   0.88868584  0.96221276  0.83422182
   0.93799548  0.84800649  0.66691697
   0.67329174  0.90469964  0.72367402
   0.76651698  0.60169361  0.97142416
   0.53504721  0.67436198  0.88340302
   0.68619370  0.82098617  0.57365985
   0.54286418  0.83048861  0.39102214
   0.86760404  0.26935706  0.06273053
   1.00287497  0.40296668  0.32239882
   0.29141255  0.14643137  0.64210167
   0.20741144  0.69399153  0.74918390
   0.12554489  1.08577660  0.20302046
   0.22878927  1.06138621  0.01458293
   0.64332259  0.39926271  0.83460232
   0.92602569  0.48019685  0.62170625
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975493    0.249350   -0.205527
    -0.000000    9.813132    0.069341
    -0.000000    0.000000   13.994749
   Si   O    H 
    32    64    10
Direct configuration=  1567
   0.17262901  0.17710365 -0.03860736
   0.37698957  0.07878006  0.37714044
   0.14212099  0.39863660  0.11440673
   0.39100920  0.32949544  0.25358460
   0.09390681  0.15107497  0.47099403
   0.41469685  0.14391105  0.85552436
   0.12714406  0.39671142  0.62032569
   0.37879615  0.38934139  0.75533710
   0.14304515  0.68339294  0.00466540
   0.38892505  0.58465307  0.35903694
   0.08694365  0.89573037  0.15424545
   0.35410997  0.83418571  0.24326753
   0.17297474  0.65199534  0.50239643
   0.37427932  0.64899450  0.85862311
   0.06954566  0.90609483  0.61591128
   0.32792855  1.00913445  0.68539950
   0.64883410  0.15710272  1.00571063
   0.84646344  0.12406393  0.34079300
   0.61627515  0.42273479  0.12018387
   0.87937431  0.31310134  0.16463033
   0.62815585  0.17084306  0.49657021
   0.88586220  0.12359767  0.86148594
   0.59737032  0.45002963  0.61371937
   0.76575886  0.38119444  0.78733094
   0.61253937  0.65272630 -0.01110327
   0.91382907  0.58734269  0.37912160
   0.58617377  0.90394749  0.12002893
   0.82192546  0.83363682  0.25597602
   0.64186510  0.64889321  0.45354760
   0.88128021  0.60987885  0.88290712
   0.60897832  0.92816542  0.61870089
   0.83329946  0.86407459  0.75288118
   0.09503245  0.06167574  0.14075815
   0.39007420  0.17869539  0.28788616
   0.12720409  0.30734851  0.01979067
   0.32615231  0.43598344  0.33029317
   0.53277871  0.36157769  0.20747985
   0.28394787  0.34688973  0.16379542
   0.23836154  0.10350409  0.43243145
   0.00130193  0.17244793  0.37649081
   0.01715378  0.02248615  0.53891425
   0.47261290  0.24669094  0.77329435
   0.10413640  0.27771969  0.54177464
   0.34423516  0.49016278  0.84105540
   0.46427145  0.46917963  0.67349602
   0.23416496  0.34303956  0.69852174
   0.29724495  0.23742188 -0.10400252
   0.03619952  0.14460390  0.89434435
   0.12544124  0.56812456  0.09556868
   0.38623159  0.67787925  0.25562445
   0.12112617  0.84074371  0.04257385
   0.40171161  0.91994578  0.33497075
   0.42064591  0.91199432  0.15175954
   0.18955048  0.85291603  0.23606887
   0.32312423  0.64842947  0.45102010
   0.06462482  0.63152094  0.41543727
   0.19171947  0.52437039  0.57094990
   0.29858225  0.73336425  0.77239918
   0.14386723  0.79369677  0.55382306
   0.37208683  1.00668345  0.80091147
   0.44623147  0.92806455  0.62503739
   0.16853059  0.95380555  0.69537205
   0.28608868  0.67752037 -0.04319848
   0.02386252  0.64271997  0.93352758
   0.63394687  0.05109130  0.09854875
   0.82072575  0.20541608  0.23996726
   0.61124108  0.31439013  0.03302045
   0.91280702  0.43312959  0.33152217
   0.03297362  0.34719132  0.19599810
   0.77255260  0.44927615  0.16371590
   0.75076151  0.19846409  0.42296420
   0.48258761  0.11955839  0.45971220
   0.67890270  0.06122813  0.57734568
   0.83456905  0.22990231  0.78364244
   0.61188569  0.32650125  0.53705475
   0.88983863  0.45350902  0.84321103
   0.99111042  0.43390305  0.66401727
   0.72847316  0.44986284  0.68426733
   0.79906653  0.13608538  0.95751334
   0.52858556  0.10352409  0.93622720
   0.53810010  0.55689220  0.06912912
   0.85756633  0.69306323  0.30605191
   0.61647435  0.80270653  0.03397627
   0.86399847  0.95715555  0.33013115
   0.93020076  0.86194932  0.16952900
   0.66888973  0.82743676  0.20985693
   0.80075100  0.59611501  0.46421396
   0.55688735  0.56461907  0.37398256
   0.59795183  0.60208435  0.56077824
   0.81931122  0.71799780  0.80582744
   0.62280790  0.81320362  0.43048087
   0.88923864  0.96178008  0.83369330
   0.93971905  0.84996981  0.66688942
   0.67297590  0.90524154  0.72365191
   0.76605741  0.60272218  0.97180003
   0.53447394  0.67601546  0.88450416
   0.68918943  0.82144011  0.57410261
   0.53790397  0.83939820  0.39505624
   0.87245572  0.27195414  0.06201484
   1.01064202  0.40015250  0.31857858
   0.29194324  0.13933382  0.64238264
   0.21358016  0.69745662  0.75561997
   0.12691423  1.08939947  0.20569393
   0.23129524  1.06281258  0.01479547
   0.63976264  0.40586938  0.83742859
   0.92782972  0.48525648  0.62145483
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975326    0.245468   -0.203788
    -0.000000    9.814412    0.066318
    -0.000000    0.000000   13.995031
   Si   O    H 
    32    64    10
Direct configuration=  1568
   0.17304962  0.17776403 -0.03902181
   0.37628304  0.07883550  0.37689955
   0.14146701  0.39979712  0.11445042
   0.39187384  0.33003674  0.25427183
   0.09406111  0.15130420  0.47169382
   0.41400034  0.14521740  0.85587010
   0.12717616  0.39654793  0.62052287
   0.37787181  0.38986201  0.75457736
   0.14326754  0.68304918  0.00574923
   0.38892775  0.58516291  0.35829077
   0.08738139  0.89605593  0.15366358
   0.35433761  0.83450154  0.24403948
   0.17265756  0.65231659  0.50205400
   0.37413186  0.64933936  0.85958988
   0.07008992  0.90506726  0.61565475
   0.32777971  1.00894855  0.68548123
   0.64989651  0.15852897  1.00565045
   0.84705649  0.12380270  0.34078884
   0.61716457  0.42278533  0.11950348
   0.87956709  0.31314700  0.16439984
   0.62745324  0.17089736  0.49651912
   0.88398675  0.12259741  0.86092554
   0.59757375  0.44997879  0.61372746
   0.76490711  0.38088910  0.78806836
   0.61229968  0.65303608 -0.01032245
   0.91352321  0.58741826  0.37992616
   0.58573023  0.90497994  0.12061827
   0.82275344  0.83369790  0.25565783
   0.64251926  0.64908161  0.45318912
   0.88120330  0.61077342  0.88337442
   0.60881098  0.92804231  0.61862366
   0.83307933  0.86374157  0.75167504
   0.09519328  0.06004877  0.14134234
   0.39078265  0.17796924  0.28661302
   0.12634191  0.30989965  0.01976874
   0.32660423  0.43647647  0.33156752
   0.53125817  0.36326225  0.20769975
   0.28402459  0.34960555  0.16541323
   0.23758624  0.10357187  0.43057084
   0.00165777  0.17363199  0.37570505
   0.01818928  0.02065477  0.53658445
   0.47436704  0.24568614  0.77389581
   0.10457470  0.27944456  0.54175851
   0.34424995  0.48832995  0.84049232
   0.46410991  0.46937419  0.67518665
   0.23194008  0.34121465  0.69733594
   0.29541810  0.23685936 -0.10428680
   0.03619972  0.14305502  0.89529275
   0.12301552  0.56680068  0.09576803
   0.38689369  0.67787881  0.25564310
   0.12124644  0.84032836  0.04312878
   0.39931570  0.92018692  0.33593770
   0.42103074  0.91210096  0.15149378
   0.19035953  0.85306057  0.23583331
   0.32315998  0.64814554  0.45169413
   0.06492976  0.63110360  0.41510926
   0.19327675  0.52356292  0.57049783
   0.29742437  0.73397871  0.77161085
   0.14212060  0.79560424  0.55473717
   0.37382632  1.00573220  0.80050517
   0.44467871  0.92777015  0.62549517
   0.16803486  0.95321429  0.69466928
   0.28587031  0.67673863 -0.04259158
   0.02361039  0.64303991  0.93366653
   0.63450352  0.04833071  0.09863463
   0.82221782  0.20489460  0.24084726
   0.61148006  0.31291126  0.03204535
   0.91222678  0.43490164  0.33108224
   0.03186768  0.34676408  0.19571904
   0.77337168  0.44859560  0.16439582
   0.75028604  0.19762371  0.42212170
   0.48315839  0.12019029  0.46103670
   0.67949434  0.06244884  0.57554106
   0.83503836  0.23027176  0.78339797
   0.61358690  0.32641759  0.53681064
   0.88852226  0.45206364  0.84269028
   0.99080896  0.43426105  0.66386792
   0.72695360  0.44983894  0.68418440
   0.79724813  0.13804401  0.95625152
   0.52737353  0.10122575  0.93555070
   0.53844412  0.55745664  0.06941940
   0.85799970  0.69379663  0.30553512
   0.61778769  0.80417248  0.03354878
   0.86472344  0.95885294  0.33069961
   0.93148454  0.86291679  0.17003545
   0.66734871  0.82902605  0.20946352
   0.80044208  0.59679392  0.46370272
   0.55795060  0.56315993  0.37468351
   0.59862604  0.60200425  0.56071356
   0.81818909  0.71846669  0.80465895
   0.62240388  0.81445178  0.43014103
   0.89003248  0.96234825  0.83302002
   0.93996904  0.85152232  0.66727180
   0.67329124  0.90543036  0.72398561
   0.76584393  0.60408953  0.97241686
   0.53317088  0.67758381  0.88534830
   0.69006346  0.81828072  0.57370690
   0.53221919  0.84869024  0.40109371
   0.87726790  0.27117815  0.06229855
   1.00370217  0.40115588  0.31442446
   0.29504784  0.13540964  0.64357710
   0.21826223  0.70241053  0.76192278
   0.12650171  1.09659544  0.20497741
   0.23163154  1.06164570  0.01359883
   0.63803799  0.41161676  0.84079779
   0.92917844  0.48860097  0.62218294
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974978    0.241152   -0.202031
    -0.000000    9.815607    0.063076
    -0.000000    0.000000   13.995214
   Si   O    H 
    32    64    10
Direct configuration=  1569
   0.17354021  0.17775748 -0.03936892
   0.37533912  0.07909471  0.37671326
   0.14146131  0.40103098  0.11462108
   0.39250740  0.33106890  0.25422985
   0.09385840  0.15159095  0.47261693
   0.41395549  0.14646873  0.85629965
   0.12714257  0.39636201  0.62053011
   0.37692550  0.38994498  0.75344420
   0.14340861  0.68222907  0.00671952
   0.38896789  0.58533421  0.35723417
   0.08717681  0.89659715  0.15260372
   0.35434128  0.83461321  0.24439754
   0.17189428  0.65188256  0.50112108
   0.37391199  0.64975158  0.86107024
   0.06964965  0.90452591  0.61470688
   0.32740086  1.00864348  0.68592258
   0.65121716  0.15930283  1.00605189
   0.84755417  0.12349918  0.34015248
   0.61767852  0.42302010  0.11884184
   0.87948495  0.31378872  0.16419654
   0.62690306  0.17162817  0.49654987
   0.88213379  0.12115548  0.86092726
   0.59818556  0.45059010  0.61356970
   0.76333067  0.38057174  0.78838876
   0.61168593  0.65343334 -0.00976024
   0.91334516  0.58664401  0.38059771
   0.58519245  0.90498258  0.12100564
   0.82249836  0.83414668  0.25530977
   0.64313301  0.64950256  0.45321318
   0.88099466  0.61141293  0.88383522
   0.60923568  0.92795230  0.61844232
   0.83309511  0.86338987  0.75045675
   0.09539006  0.05831061  0.14149407
   0.39175823  0.17747414  0.28571039
   0.12593363  0.31244889  0.01999784
   0.32690763  0.43726662  0.33319454
   0.53089801  0.36543582  0.20765000
   0.28482566  0.35185413  0.16722491
   0.23701250  0.10334287  0.42903056
   0.00142998  0.17477473  0.37566120
   0.01923794  0.01886086  0.53439184
   0.47483473  0.24547625  0.77428367
   0.10606584  0.28051150  0.54167879
   0.34386489  0.48629853  0.83980243
   0.46440789  0.46926819  0.67712778
   0.23054448  0.33954439  0.69710563
   0.29369623  0.23712824 -0.10433085
   0.03621509  0.14188427  0.89630518
   0.12123452  0.56582817  0.09595384
   0.38752917  0.67746237  0.25580449
   0.12147848  0.83955744  0.04350639
   0.39719595  0.92133315  0.33719857
   0.42125747  0.91221354  0.15103113
   0.19147680  0.85276992  0.23574048
   0.32312003  0.64798657  0.45197072
   0.06522009  0.63131386  0.41514556
   0.19561137  0.52364459  0.57025784
   0.29814456  0.73573717  0.77112788
   0.14163142  0.79635788  0.55572076
   0.37492416  1.00540585  0.80054808
   0.44277830  0.92765784  0.62554594
   0.16833612  0.95214806  0.69455390
   0.28609687  0.67690047 -0.04254611
   0.02328534  0.64346423  0.93322605
   0.63481003  0.04604424  0.09833410
   0.82324264  0.20423963  0.24151213
   0.61152324  0.31171558  0.03137562
   0.91249443  0.43656711  0.33072753
   0.03117563  0.34630685  0.19518612
   0.77419137  0.44826530  0.16529658
   0.74961863  0.19718371  0.42141706
   0.48404456  0.12028857  0.46221644
   0.68000484  0.06374713  0.57401755
   0.83565938  0.23071162  0.78263668
   0.61500534  0.32666498  0.53704063
   0.88719297  0.45093033  0.84298972
   0.98939289  0.43595729  0.66414564
   0.72590728  0.44954341  0.68395009
   0.79566001  0.13899974  0.95522843
   0.52650894  0.09883767  0.93458204
   0.53943454  0.55792823  0.06929101
   0.85768908  0.69475258  0.30486258
   0.61850324  0.80625970  0.03277518
   0.86530114  0.96029170  0.33130961
   0.93330604  0.86351714  0.17102009
   0.66649935  0.83064078  0.20969526
   0.80078282  0.59687535  0.46282333
   0.55843980  0.56214742  0.37510980
   0.59871263  0.60180683  0.56071401
   0.81729280  0.71774570  0.80334110
   0.62267440  0.81573090  0.42955858
   0.89002743  0.96342422  0.83308126
   0.94026963  0.85266154  0.66806419
   0.67431176  0.90627257  0.72471252
   0.76714717  0.60612649  0.97299327
   0.53196217  0.67933840  0.88598796
   0.69271339  0.81451247  0.57339571
   0.53137862  0.85681266  0.40693170
   0.88145541  0.27079089  0.06367658
   0.99233711  0.40206401  0.31205362
   0.29902650  0.13637310  0.64217704
   0.19843680  0.70016647  0.76528225
   0.12635200  1.10496451  0.20164758
   0.23195367  1.05568058  0.01048341
   0.63692500  0.41856056  0.84374256
   0.92993165  0.49073806  0.62406296
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974422    0.236893   -0.200223
    -0.000000    9.817055    0.059732
    -0.000000    0.000000   13.995570
   Si   O    H 
    32    64    10
Direct configuration=  1570
   0.17397816  0.17728056 -0.04019287
   0.37455530  0.07946606  0.37667385
   0.14181157  0.40148597  0.11507396
   0.39239124  0.33183441  0.25382153
   0.09356248  0.15188922  0.47342310
   0.41409815  0.14764700  0.85652152
   0.12755029  0.39570118  0.62047682
   0.37625251  0.38912174  0.75224166
   0.14343932  0.68101923  0.00728103
   0.38909563  0.58513670  0.35627224
   0.08705993  0.89726773  0.15125371
   0.35370435  0.83484701  0.24463493
   0.17112599  0.65162408  0.50047752
   0.37390975  0.65105563  0.86162361
   0.06915185  0.90460499  0.61388060
   0.32688671  1.00802621  0.68602421
   0.65249702  0.15935490  1.00562282
   0.84855894  0.12372085  0.33997853
   0.61845210  0.42329836  0.11813570
   0.87870958  0.31458493  0.16432600
   0.62696003  0.17248458  0.49688690
   0.88067419  0.11945135  0.86113435
   0.59882530  0.45106352  0.61358521
   0.76174450  0.38014101  0.78869781
   0.61022176  0.65405447 -0.00978118
   0.91272237  0.58611215  0.38128235
   0.58468642  0.90493934  0.12143959
   0.82207836  0.83494913  0.25522313
   0.64336287  0.64993850  0.45325019
   0.88083607  0.61126136  0.88452614
   0.60997347  0.92747126  0.61829771
   0.83258723  0.86336522  0.74910656
   0.09601023  0.05770294  0.14182040
   0.39241303  0.17690159  0.28525984
   0.12575514  0.31514449  0.02057278
   0.32687693  0.43840932  0.33435147
   0.53104182  0.36719970  0.20752466
   0.28543533  0.35377666  0.16844085
   0.23623163  0.10186094  0.42747994
   0.00087310  0.17470078  0.37582182
   0.01968677  0.01772305  0.53190221
   0.47566749  0.24541663  0.77467944
   0.10697727  0.28066123  0.54118914
   0.34328438  0.48538358  0.83994407
   0.46423432  0.46964806  0.67935141
   0.23053676  0.33733887  0.69702953
   0.29218104  0.23799515 -0.10457393
   0.03664818  0.14162856  0.89742214
   0.12017816  0.56501210  0.09618031
   0.38723219  0.67656770  0.25657954
   0.12151380  0.83870965  0.04400732
   0.39511553  0.92259458  0.33908992
   0.42214560  0.91229777  0.15103391
   0.19259955  0.85180751  0.23578379
   0.32309810  0.64704973  0.45176991
   0.06548799  0.63159804  0.41554341
   0.19846874  0.52371760  0.57010344
   0.29796691  0.73704484  0.77057196
   0.14155077  0.79599019  0.55602357
   0.37580424  1.00515238  0.80046935
   0.44172976  0.92658789  0.62582251
   0.16849851  0.95102421  0.69446131
   0.28648085  0.67811422 -0.04264095
   0.02370250  0.64403913  0.93283523
   0.63541989  0.04444333  0.09765955
   0.82400894  0.20339125  0.24188189
   0.61128646  0.31033526  0.03108669
   0.91242993  0.43922569  0.33036346
   0.03162044  0.34594816  0.19480259
   0.77512151  0.44752735  0.16621579
   0.74886051  0.19615103  0.42029248
   0.48446048  0.12017048  0.46287355
   0.68061882  0.06497413  0.57251400
   0.83568454  0.23055260  0.78203705
   0.61602510  0.32752881  0.53740664
   0.88609505  0.44976896  0.84318432
   0.98775362  0.43912582  0.66469854
   0.72501777  0.44898610  0.68338039
   0.79393481  0.13980648  0.95493210
   0.52648592  0.09748615  0.93409887
   0.54051562  0.55820472  0.06971128
   0.85789500  0.69513002  0.30447175
   0.61827597  0.80816047  0.03196529
   0.86566411  0.96174011  0.33262124
   0.93530460  0.86324353  0.17210029
   0.66581046  0.83233016  0.21026057
   0.80158113  0.59674622  0.46140126
   0.55895127  0.56089192  0.37523081
   0.59943494  0.60155723  0.56018074
   0.81639723  0.71591254  0.80149384
   0.62332047  0.81674223  0.42875379
   0.88885170  0.96392934  0.83254775
   0.94010935  0.85383040  0.66850754
   0.67587237  0.90653802  0.72501141
   0.76816917  0.60851099  0.97338910
   0.53103099  0.68081037  0.88671425
   0.69327661  0.81136765  0.57554817
   0.53654339  0.86127006  0.41037672
   0.88504278  0.27019879  0.06721245
   0.99766735  0.39605051  0.30443022
   0.30513949  0.14306284  0.64003884
   0.19442440  0.70428831  0.76781441
   0.12285863  1.11509990  0.19611050
   0.23365137  1.04756911  0.00710359
   0.63919389  0.42178777  0.84452665
   0.92643598  0.49314894  0.62288145
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.973691    0.232985   -0.198681
    -0.000000    9.818577    0.056606
    -0.000000    0.000000   13.996186
   Si   O    H 
    32    64    10
Direct configuration=  1571
   0.17374876  0.17665180 -0.04139307
   0.37494005  0.07990897  0.37679285
   0.14196236  0.40212717  0.11543836
   0.39165882  0.33278809  0.25345067
   0.09261402  0.15197596  0.47449359
   0.41457942  0.14845165  0.85684010
   0.12789914  0.39566911  0.62033214
   0.37528928  0.38855299  0.75097636
   0.14326562  0.67970651  0.00809185
   0.38982592  0.58516419  0.35542721
   0.08721837  0.89704105  0.14998668
   0.35203302  0.83477812  0.24429889
   0.17043670  0.65135626  0.50012289
   0.37336188  0.65194870  0.86202825
   0.06804884  0.90533754  0.61296918
   0.32653477  1.00796111  0.68626986
   0.65330633  0.15844620  1.00478048
   0.84925214  0.12395840  0.33972201
   0.61961279  0.42310126  0.11742101
   0.87806615  0.31473034  0.16488403
   0.62776913  0.17355083  0.49726534
   0.87930614  0.11779905  0.86179814
   0.59922455  0.45153302  0.61378347
   0.76031661  0.38011303  0.78897892
   0.60982774  0.65508366 -0.01001470
   0.91221131  0.58550112  0.38170532
   0.58363591  0.90462262  0.12174175
   0.82165780  0.83575691  0.25485299
   0.64312372  0.65058937  0.45357456
   0.88042396  0.61135975  0.88554318
   0.61052617  0.92746885  0.61826813
   0.83213332  0.86312559  0.74810330
   0.09680784  0.05759864  0.14237287
   0.39338707  0.17635301  0.28449480
   0.12636421  0.31756114  0.02030335
   0.32700968  0.43834628  0.33489169
   0.53218793  0.36857897  0.20725304
   0.28515939  0.35620588  0.16941891
   0.23498070  0.10058913  0.42571817
   0.00029879  0.17528468  0.37628731
   0.01999344  0.01667044  0.52936529
   0.47645672  0.24633105  0.77460497
   0.10778261  0.28146821  0.54111736
   0.34186873  0.48432016  0.84003531
   0.46416246  0.46952571  0.68120998
   0.23134002  0.33532238  0.69794025
   0.29056214  0.23817542 -0.10433416
   0.03693648  0.14211331  0.89862909
   0.11943781  0.56470792  0.09640494
   0.38708002  0.67630453  0.25779199
   0.12211181  0.83769908  0.04414686
   0.39355300  0.92393598  0.34122127
   0.42275176  0.91199044  0.15066871
   0.19248843  0.85126295  0.23546765
   0.32320532  0.64587097  0.45146470
   0.06527502  0.63255245  0.41579411
   0.20081062  0.52328816  0.57007123
   0.29675644  0.73781806  0.76984338
   0.14146705  0.79464035  0.55581673
   0.37602683  1.00505303  0.80039924
   0.44122431  0.92507515  0.62635323
   0.16971767  0.95122983  0.69479058
   0.28659574  0.67840530 -0.04306439
   0.02415721  0.64500323  0.93264186
   0.63566712  0.04507204  0.09650043
   0.82505508  0.20285002  0.24203438
   0.61060345  0.30912196  0.03082057
   0.91278214  0.44155364  0.32995048
   0.03252318  0.34512312  0.19474536
   0.77548010  0.44659406  0.16676369
   0.74841148  0.19496641  0.41862735
   0.48417249  0.12022516  0.46322110
   0.68068510  0.06496440  0.57129661
   0.83534025  0.23039895  0.78177421
   0.61686765  0.32837833  0.53790805
   0.88561057  0.44995181  0.84365980
   0.98579277  0.44286173  0.66565009
   0.72460957  0.44834919  0.68339247
   0.79237482  0.14095536  0.95501588
   0.52728160  0.09667316  0.93399181
   0.54159630  0.55884280  0.07032982
   0.85811308  0.69568228  0.30396248
   0.61841896  0.80920994  0.03142040
   0.86610195  0.96245752  0.33296528
   0.93702624  0.86300033  0.17285538
   0.66557779  0.83372781  0.21092152
   0.80257405  0.59720708  0.46045490
   0.55813551  0.55975880  0.37544917
   0.60089232  0.60129588  0.55940978
   0.81584400  0.71429565  0.80051825
   0.62487250  0.81746466  0.42810214
   0.88711688  0.96478518  0.83162632
   0.93879829  0.85468311  0.66985291
   0.67793745  0.90689250  0.72501694
   0.76972350  0.61020580  0.97351423
   0.53029060  0.68148673  0.88694694
   0.68872124  0.81083931  0.57877783
   0.54156862  0.86396355  0.41275115
   0.88814311  0.26974131  0.06996404
   1.00110807  0.39291526  0.29729844
   0.31053484  0.14514121  0.63874054
   0.20435642  0.71406456  0.77041645
   0.11281950  1.11919390  0.18824062
   0.23568422  1.04479000  0.00489531
   0.64360188  0.41779869  0.84338816
   0.92365533  0.49669711  0.62153184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972982    0.229630   -0.196821
    -0.000000    9.820077    0.053332
    -0.000000    0.000000   13.996848
   Si   O    H 
    32    64    10
Direct configuration=  1572
   0.17232731  0.17548523 -0.04245525
   0.37531803  0.08127579  0.37677253
   0.14219933  0.40256904  0.11592644
   0.39165994  0.33359818  0.25319099
   0.09239787  0.15179179  0.47534028
   0.41500712  0.14909862  0.85745617
   0.12836525  0.39561055  0.62020588
   0.37429023  0.38769527  0.74998139
   0.14253575  0.67769724  0.00857708
   0.39071984  0.58423856  0.35491881
   0.08723455  0.89693236  0.14927064
   0.35078046  0.83473243  0.24355588
   0.16988958  0.65123448  0.49963379
   0.37257137  0.65208290  0.86199918
   0.06759053  0.90625514  0.61205549
   0.32554283  1.00711812  0.68656932
   0.65322589  0.15775997  1.00376878
   0.85031990  0.12443112  0.33984320
   0.62132581  0.42346781  0.11707625
   0.87777897  0.31513111  0.16518076
   0.62869042  0.17417775  0.49746054
   0.87824268  0.11650741  0.86241809
   0.59915245  0.45283993  0.61384679
   0.75922526  0.37938068  0.78939039
   0.60965724  0.65651308 -0.01025942
   0.91196361  0.58479321  0.38198206
   0.58228121  0.90348648  0.12149297
   0.82119082  0.83709782  0.25482305
   0.64343938  0.65125301  0.45404994
   0.87945920  0.61150857  0.88637024
   0.61160830  0.92726962  0.61793466
   0.83123164  0.86271388  0.74723038
   0.09678107  0.05733256  0.14219074
   0.39471835  0.17525912  0.28383139
   0.12715175  0.31912471  0.02002873
   0.32719838  0.43739758  0.33548981
   0.53335641  0.36995871  0.20667974
   0.28361106  0.35922419  0.17060722
   0.23419149  0.09963646  0.42499392
  -0.00018582  0.17561614  0.37679797
   0.02035911  0.01614740  0.52748404
   0.47693743  0.24671644  0.77406074
   0.10847727  0.28165030  0.54040969
   0.34150332  0.48351817  0.84025094
   0.46391642  0.47029364  0.68179799
   0.23197263  0.33383565  0.69872030
   0.28909841  0.23931336 -0.10444459
   0.03729088  0.14213129  0.90009730
   0.11846520  0.56513985  0.09636784
   0.38732364  0.67595739  0.25840161
   0.12155509  0.83715925  0.04452852
   0.39187503  0.92440307  0.34294365
   0.42343518  0.91174252  0.15033420
   0.19229799  0.85083338  0.23507698
   0.32361292  0.64479820  0.45057209
   0.06487844  0.63245448  0.41603291
   0.20224464  0.52285726  0.57025505
   0.29599985  0.73762998  0.76944705
   0.14068374  0.79278890  0.55512624
   0.37675923  1.00520925  0.80049015
   0.44087353  0.92375281  0.62682061
   0.17074007  0.95209743  0.69494242
   0.28616252  0.67853448 -0.04344320
   0.02391472  0.64562038  0.93315338
   0.63641831  0.04656800  0.09601222
   0.82609969  0.20333831  0.24224979
   0.60990787  0.30932246  0.03114562
   0.91343844  0.44273745  0.32947239
   0.03337399  0.34414567  0.19467389
   0.77532115  0.44548661  0.16712779
   0.74766720  0.19356921  0.41718699
   0.48385031  0.12092301  0.46371438
   0.68127429  0.06428877  0.57152702
   0.83436515  0.23007330  0.78122998
   0.61714417  0.32944331  0.53838426
   0.88514180  0.45114877  0.84416533
   0.98335386  0.44656818  0.66678704
   0.72550734  0.44768538  0.68331285
   0.79235941  0.14174286  0.95569289
   0.52893968  0.09586204  0.93411674
   0.54226222  0.55932795  0.07060123
   0.85770566  0.69653275  0.30309049
   0.61828182  0.80980667  0.03125832
   0.86664117  0.96261230  0.33300830
   0.93829596  0.86344508  0.17353551
   0.66537855  0.83487569  0.21195388
   0.80318018  0.59762738  0.45978134
   0.55780419  0.55842815  0.37601881
   0.60193229  0.60034138  0.55876187
   0.81512192  0.71247515  0.79983239
   0.62699899  0.81795411  0.42828457
   0.88610909  0.96465192  0.83036742
   0.93794499  0.85571541  0.67076515
   0.67933734  0.90807840  0.72499288
   0.77086570  0.61203913  0.97351796
   0.53017963  0.68251644  0.88687265
   0.68053608  0.81285594  0.57992759
   0.54042594  0.86655362  0.41381884
   0.88839146  0.26608241  0.06989129
   0.99239430  0.39620009  0.29415579
   0.31504027  0.14238967  0.63841271
   0.20677671  0.72256322  0.77435988
   0.10964841  1.13200040  0.19192596
   0.23591834  1.04601574  0.00149222
   0.65019480  0.41325643  0.84354539
   0.92634789  0.49315718  0.62479675
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972103    0.226511   -0.194667
    -0.000000    9.821117    0.049934
    -0.000000    0.000000   13.997498
   Si   O    H 
    32    64    10
Direct configuration=  1573
   0.17119875  0.17382820 -0.04315263
   0.37569308  0.08278747  0.37693094
   0.14270444  0.40370004  0.11647956
   0.39147743  0.33446697  0.25260748
   0.09257744  0.15098388  0.47576293
   0.41579765  0.14908056  0.85823724
   0.12882421  0.39560076  0.62049172
   0.37349628  0.38581283  0.74877960
   0.14154199  0.67639074  0.00889985
   0.39190869  0.58294602  0.35448729
   0.08794215  0.89658826  0.14921200
   0.34966496  0.83455239  0.24319262
   0.16988584  0.65116797  0.49962384
   0.37171874  0.65153631  0.86193336
   0.06763883  0.90721459  0.61131920
   0.32482180  1.00660677  0.68710849
   0.65341445  0.15709602  1.00308779
   0.85210385  0.12487369  0.34063920
   0.62241245  0.42363279  0.11744314
   0.87713993  0.31547392  0.16521308
   0.62946107  0.17492020  0.49762004
   0.87769205  0.11509109  0.86283496
   0.59928444  0.45377418  0.61381444
   0.75863003  0.37851873  0.78998249
   0.61008638  0.65841081 -0.01041581
   0.91135061  0.58385625  0.38205639
   0.58095484  0.90269754  0.12112478
   0.82075983  0.83837328  0.25476202
   0.64383839  0.65134050  0.45473363
   0.87845573  0.61212340  0.88711665
   0.61202699  0.92655155  0.61798209
   0.82955184  0.86223361  0.74644185
   0.09634853  0.05752590  0.14219152
   0.39529411  0.17375797  0.28384427
   0.12792368  0.32061357  0.02019430
   0.32726714  0.43570450  0.33617170
   0.53406218  0.37143562  0.20618542
   0.28119553  0.36137219  0.17169193
   0.23359859  0.09903812  0.42439268
  -0.00002457  0.17551431  0.37738146
   0.02090911  0.01595666  0.52627458
   0.47814940  0.24699375  0.77339446
   0.10970354  0.28165845  0.54001857
   0.34185186  0.48357712  0.84005149
   0.46488003  0.47170358  0.68202528
   0.23282536  0.33256937  0.69949699
   0.28776455  0.23992531 -0.10473645
   0.03721647  0.14258205  0.90151200
   0.11758884  0.56493374  0.09669246
   0.38766207  0.67696835  0.25900226
   0.12089590  0.83602701  0.04493161
   0.39116128  0.92436706  0.34505216
   0.42393329  0.91138308  0.15044189
   0.19213606  0.84935968  0.23453394
   0.32463532  0.64410192  0.45001336
   0.06404161  0.63235851  0.41632319
   0.20422911  0.52310280  0.57074762
   0.29701945  0.73743809  0.76908819
   0.13959916  0.79078993  0.55424413
   0.37684399  1.00625245  0.80041454
   0.44135422  0.92243437  0.62734138
   0.17282821  0.95364964  0.69502083
   0.28525588  0.67811896 -0.04354999
   0.02334549  0.64562382  0.93331378
   0.63754689  0.04900732  0.09533702
   0.82667324  0.20364026  0.24195025
   0.60983148  0.30949563  0.03068548
   0.91390674  0.44378577  0.32901227
   0.03432230  0.34335065  0.19460616
   0.77497642  0.44472552  0.16714034
   0.74717102  0.19209317  0.41595163
   0.48310471  0.12111500  0.46375410
   0.68189302  0.06368642  0.57221037
   0.83280765  0.23042040  0.78152904
   0.61748169  0.33001269  0.53865425
   0.88515608  0.45316777  0.84476687
   0.98139491  0.44992225  0.66770213
   0.72695239  0.44684726  0.68400425
   0.79270259  0.14216090  0.95668953
   0.53102264  0.09560069  0.93452260
   0.54285070  0.56007945  0.07087608
   0.85730995  0.69790003  0.30221671
   0.61864810  0.81091060  0.03156822
   0.86713047  0.96301241  0.33331724
   0.93976705  0.86371032  0.17374426
   0.66567483  0.83596601  0.21333696
   0.80355268  0.59762090  0.45890415
   0.55781052  0.55659762  0.37647510
   0.60266481  0.59937070  0.55855254
   0.81421153  0.71048085  0.79920604
   0.62862626  0.81740536  0.42812660
   0.88577356  0.96312023  0.82904667
   0.93711272  0.85691323  0.67059955
   0.68118160  0.90873227  0.72540657
   0.77126599  0.61416924  0.97336038
   0.52969097  0.68293869  0.88708315
   0.67654102  0.81229254  0.58055141
   0.53903190  0.86558488  0.41324864
   0.88716537  0.26037021  0.06922408
   0.98228714  0.40275445  0.29756017
   0.31793929  0.13892641  0.63750157
   0.19291783  0.72984013  0.77767826
   0.10689898  1.13476949  0.19389817
   0.23469947  1.05260969 -0.00318633
   0.64870423  0.40662141  0.84678578
   0.92275753  0.49411679  0.62196528
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.971357    0.222738   -0.192371
    -0.000000    9.822313    0.046580
    -0.000000    0.000000   13.997732
   Si   O    H 
    32    64    10
Direct configuration=  1574
   0.17085578  0.17293172 -0.04357460
   0.37670492  0.08344489  0.37725182
   0.14293778  0.40408954  0.11734988
   0.39154624  0.33413887  0.25185198
   0.09282776  0.15039654  0.47576679
   0.41668343  0.14850237  0.85902860
   0.12885456  0.39565518  0.62097746
   0.37219957  0.38399737  0.74784312
   0.14032401  0.67519780  0.00920661
   0.39326497  0.58194515  0.35432880
   0.08831945  0.89653273  0.14884538
   0.34913347  0.83471522  0.24249003
   0.17007185  0.65080425  0.49960863
   0.37139450  0.65016569  0.86129643
   0.06797515  0.90744101  0.61056333
   0.32470653  1.00586306  0.68741221
   0.65288604  0.15677665  1.00251776
   0.85359559  0.12570508  0.34150342
   0.62346615  0.42432857  0.11748274
   0.87557535  0.31499553  0.16524083
   0.63004474  0.17572016  0.49758901
   0.87749989  0.11386054  0.86298793
   0.59951848  0.45455625  0.61392832
   0.75837740  0.37737034  0.79060281
   0.61053685  0.66070068 -0.01060532
   0.91176339  0.58353855  0.38175291
   0.58025161  0.90235133  0.12069513
   0.82081641  0.83964495  0.25476603
   0.64394583  0.65152840  0.45497575
   0.87787152  0.61332644  0.88786145
   0.61172487  0.92550601  0.61854208
   0.82790458  0.86135272  0.74617620
   0.09582585  0.05901467  0.14230490
   0.39637938  0.17200130  0.28367061
   0.12891199  0.32121091  0.02012105
   0.32759217  0.43344746  0.33655609
   0.53508746  0.37212497  0.20609021
   0.27963327  0.36377783  0.17300654
   0.23204587  0.09846964  0.42439696
   0.00040895  0.17555561  0.37838775
   0.02257224  0.01598408  0.52523165
   0.47955738  0.24799702  0.77302722
   0.11121813  0.28144427  0.53935651
   0.34221368  0.48482265  0.83989970
   0.46545989  0.47366282  0.68190039
   0.23428494  0.33135939  0.70049036
   0.28730749  0.23901874 -0.10474985
   0.03611837  0.14313890  0.90325134
   0.11709963  0.56480281  0.09700119
   0.38791791  0.67784159  0.26001444
   0.11949987  0.83406432  0.04500571
   0.39122189  0.92352438  0.34623939
   0.42519755  0.91059362  0.15138275
   0.19179015  0.84801450  0.23354787
   0.32464042  0.64435788  0.44934107
   0.06269333  0.63267144  0.41610697
   0.20609753  0.52223855  0.57122777
   0.29709882  0.73721455  0.76896328
   0.13934794  0.78848346  0.55298366
   0.37633093  1.00797749  0.80025469
   0.44199264  0.92172934  0.62772624
   0.17336641  0.95441488  0.69544080
   0.28449220  0.67722279 -0.04346091
   0.02259251  0.64571247  0.93343285
   0.63827571  0.05183822  0.09482064
   0.82620098  0.20369321  0.24178980
   0.60945471  0.31099727  0.03047628
   0.91290513  0.44446953  0.32896665
   0.03485980  0.34266251  0.19475618
   0.77422089  0.44406954  0.16730928
   0.74621584  0.19021335  0.41492782
   0.48194208  0.12212679  0.46346887
   0.68271636  0.06317551  0.57331774
   0.83104176  0.22982681  0.78216927
   0.61853533  0.33062164  0.53943738
   0.88564079  0.45449557  0.84576056
   0.98064246  0.45211688  0.66899586
   0.72850796  0.44584998  0.68440636
   0.79329157  0.14227807  0.95776914
   0.53300332  0.09577871  0.93495393
   0.54295917  0.56026336  0.07125953
   0.85643217  0.69877410  0.30129949
   0.61902597  0.81118889  0.03175680
   0.86691071  0.96373606  0.33316493
   0.93952074  0.86375577  0.17387049
   0.66627357  0.83698133  0.21461725
   0.80336002  0.59781508  0.45881078
   0.55791288  0.55514155  0.37691438
   0.60302450  0.59775798  0.55874846
   0.81343861  0.70814184  0.79907817
   0.62945801  0.81694809  0.42785187
   0.88490085  0.96158191  0.82763238
   0.93650480  0.85912663  0.66959520
   0.68264276  0.91019524  0.72517157
   0.77177747  0.61590093  0.97363780
   0.52938291  0.68308709  0.88718880
   0.67388141  0.80664890  0.58021283
   0.53923698  0.86135434  0.41155225
   0.88664247  0.25802612  0.06869875
   0.98569278  0.40440288  0.29876447
   0.32126399  0.13278958  0.63498287
   0.19010036  0.74047441  0.77932656
   0.10119624  1.12624375  0.18958162
   0.23232747  1.05571983 -0.00700969
   0.64199125  0.40194185  0.85415823
   0.91507352  0.49406068  0.61904340
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.970438    0.218197   -0.189988
    -0.000000    9.823412    0.043077
    -0.000000    0.000000   13.997931
   Si   O    H 
    32    64    10
Direct configuration=  1575
   0.17051715  0.17320712 -0.04403049
   0.37787155  0.08368902  0.37803622
   0.14350483  0.40440436  0.11846033
   0.39168575  0.33352864  0.25121161
   0.09307952  0.14887704  0.47552680
   0.41722079  0.14784445  0.85934899
   0.12888917  0.39522696  0.62165289
   0.37092865  0.38211918  0.74699427
   0.13895909  0.67414218  0.00958046
   0.39444226  0.58050324  0.35469315
   0.08846402  0.89699165  0.14762086
   0.34872749  0.83466071  0.24186550
   0.17025245  0.65051492  0.49912118
   0.37107053  0.64857594  0.86039121
   0.06799049  0.90703344  0.61004273
   0.32479630  1.00514935  0.68750679
   0.65236187  0.15698042  1.00242750
   0.85606374  0.12713614  0.34213825
   0.62413663  0.42531314  0.11754722
   0.87390987  0.31427709  0.16505255
   0.63111597  0.17614697  0.49720638
   0.87792070  0.11246888  0.86305133
   0.59910329  0.45497221  0.61413172
   0.75878030  0.37639579  0.79171915
   0.61122547  0.66292515 -0.01042524
   0.91270113  0.58394362  0.38128454
   0.57953488  0.90204383  0.12032342
   0.82116922  0.84113752  0.25470257
   0.64384955  0.65136162  0.45481394
   0.87709357  0.61407283  0.88845989
   0.61117888  0.92498588  0.61930732
   0.82626235  0.86013907  0.74628020
   0.09569692  0.06049952  0.14236276
   0.39717715  0.17187422  0.28270192
   0.13028574  0.32149562  0.01956316
   0.32786675  0.43128104  0.33661152
   0.53582594  0.37222403  0.20598791
   0.27793027  0.36577236  0.17385183
   0.23122312  0.09792081  0.42473270
   0.00040038  0.17474915  0.37967139
   0.02425374  0.01513702  0.52430093
   0.48043859  0.24996839  0.77260210
   0.11255428  0.28108556  0.53820932
   0.34235950  0.48587564  0.83981257
   0.46652086  0.47535683  0.68181122
   0.23585461  0.32997722  0.70128069
   0.28678811  0.23770053 -0.10471955
   0.03496579  0.14258150  0.90466899
   0.11709665  0.56356545  0.09713060
   0.38831181  0.67876221  0.26102400
   0.11839431  0.83125485  0.04493773
   0.39092106  0.92259352  0.34724934
   0.42646499  0.90961371  0.15265420
   0.19163473  0.84616335  0.23240410
   0.32517100  0.64481582  0.44866718
   0.06202976  0.63261946  0.41584458
   0.20644051  0.52146279  0.57141716
   0.29651574  0.73608129  0.76908242
   0.13948043  0.78635884  0.55162063
   0.37607642  1.01118524  0.79988157
   0.44254291  0.92090083  0.62834875
   0.17370877  0.95514131  0.69573075
   0.28330790  0.67699043 -0.04349617
   0.02175188  0.64583471  0.93346078
   0.63883342  0.05485430  0.09462709
   0.82516152  0.20412830  0.24174592
   0.60938746  0.31242044  0.03044270
   0.91291890  0.44465057  0.32940856
   0.03538064  0.34190841  0.19447727
   0.77335215  0.44330838  0.16772723
   0.74512648  0.18821735  0.41414059
   0.48056072  0.12332557  0.46294771
   0.68315469  0.06253153  0.57541587
   0.82865150  0.22857876  0.78307968
   0.61939756  0.33085446  0.54042022
   0.88606934  0.45693701  0.84731825
   0.98046574  0.45432827  0.66976737
   0.73067865  0.44426797  0.68482867
   0.79460429  0.14223219  0.95887196
   0.53386655  0.09524927  0.93519867
   0.54296913  0.56133843  0.07174488
   0.85651969  0.69849469  0.30180615
   0.61977427  0.81161202  0.03165620
   0.86590914  0.96460685  0.33274123
   0.93869212  0.86361025  0.17364422
   0.66665140  0.83771199  0.21568385
   0.80289069  0.59822103  0.45875286
   0.55810081  0.55491632  0.37762533
   0.60311157  0.59573470  0.55875458
   0.81317653  0.70590551  0.79876325
   0.62986102  0.81636386  0.42755066
   0.88373895  0.96012870  0.82689508
   0.93652872  0.86044133  0.66819733
   0.68361293  0.91131440  0.72477768
   0.77083640  0.61792418  0.97435858
   0.52889950  0.68297675  0.88717082
   0.67138280  0.80258829  0.57792520
   0.54245349  0.85703798  0.41024667
   0.88177491  0.25673942  0.07074642
   0.99649960  0.40181024  0.29818487
   0.32292202  0.12597197  0.63343931
   0.20225990  0.75207084  0.77831020
   0.09743059  1.12668834  0.18946988
   0.23324133  1.05409449 -0.00746767
   0.63877497  0.39614086  0.86173550
   0.91223421  0.48887922  0.61962579
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.969453    0.213816   -0.187420
    -0.000000    9.824451    0.039943
    -0.000000    0.000000   13.998341
   Si   O    H 
    32    64    10
Direct configuration=  1576
   0.16955881  0.17390903 -0.04402236
   0.37878280  0.08370755  0.37903218
   0.14384737  0.40455958  0.11885739
   0.39130305  0.33250474  0.25053865
   0.09312156  0.14799017  0.47493352
   0.41784502  0.14694606  0.85936027
   0.12853581  0.39553879  0.62297850
   0.37041693  0.38060590  0.74674237
   0.13697791  0.67347316  0.01038249
   0.39580611  0.57881388  0.35537416
   0.08885495  0.89714593  0.14675641
   0.34938081  0.83462307  0.24170242
   0.17131003  0.64987697  0.49865345
   0.37077024  0.64717285  0.85970852
   0.06813734  0.90744581  0.60960932
   0.32537102  1.00478394  0.68769752
   0.65123350  0.15667106  1.00234516
   0.85778306  0.12808553  0.34281745
   0.62477215  0.42585597  0.11800650
   0.87248527  0.31331833  0.16479725
   0.63173867  0.17658734  0.49711538
   0.87916385  0.11154238  0.86297110
   0.59878532  0.45524323  0.61447405
   0.75904511  0.37542082  0.79271840
   0.61161327  0.66447235 -0.01057227
   0.91343780  0.58469595  0.38054011
   0.57947805  0.90265912  0.12011888
   0.82168112  0.84252213  0.25444469
   0.64398920  0.65141766  0.45433371
   0.87678965  0.61455289  0.88850245
   0.61100528  0.92437889  0.61930990
   0.82483419  0.85830253  0.74661329
   0.09498200  0.06096811  0.14156748
   0.39784181  0.17304402  0.28165865
   0.13289952  0.32140348  0.01948450
   0.32922806  0.42887642  0.33636388
   0.53627713  0.37218309  0.20526971
   0.27672155  0.36750388  0.17410922
   0.23044471  0.09755553  0.42561371
   0.00020639  0.17476168  0.38082355
   0.02532725  0.01451041  0.52372186
   0.48007183  0.25171035  0.77241629
   0.11347323  0.28021975  0.53733464
   0.34247263  0.48759903  0.83958768
   0.46679267  0.47641731  0.68082577
   0.23694993  0.32853080  0.70117207
   0.28686931  0.23699509 -0.10545482
   0.03301577  0.14324937  0.90619730
   0.11776850  0.56283945  0.09668483
   0.38966735  0.67964193  0.26220228
   0.11762522  0.82861524  0.04480390
   0.39026140  0.92124196  0.34854203
   0.42769021  0.90861738  0.15477011
   0.19151772  0.84509470  0.23088246
   0.32438724  0.64559923  0.44820853
   0.06151534  0.63229596  0.41562437
   0.20687904  0.52069054  0.57182436
   0.29620584  0.73517975  0.76926351
   0.13939816  0.78406881  0.55064377
   0.37596888  1.01466003  0.79924172
   0.44412742  0.91994513  0.62835878
   0.17395193  0.95609211  0.69509789
   0.28271535  0.67659708 -0.04309947
   0.02151105  0.64644252  0.93280431
   0.63969991  0.05676330  0.09447137
   0.82434544  0.20382963  0.24157151
   0.60994656  0.31378084  0.03071712
   0.91327311  0.44424050  0.32930858
   0.03544743  0.34193753  0.19392173
   0.77216846  0.44301016  0.16799651
   0.74284443  0.18611641  0.41317416
   0.47952090  0.12390151  0.46184605
   0.68372538  0.06193820  0.57775824
   0.82665174  0.22663128  0.78388241
   0.62008528  0.33010064  0.54134151
   0.88631760  0.45876041  0.84834244
   0.98058559  0.45610776  0.66977183
   0.73245405  0.44331553  0.68569884
   0.79617873  0.14252034  0.95979787
   0.53462043  0.09539321  0.93487361
   0.54333794  0.56259257  0.07239867
   0.85643362  0.69843364  0.30265639
   0.62077702  0.81173747  0.03163237
   0.86421463  0.96471494  0.33249744
   0.93693452  0.86435657  0.17340267
   0.66678581  0.83908429  0.21711604
   0.80148177  0.59878770  0.45856475
   0.55737781  0.55631507  0.37807407
   0.60285972  0.59398472  0.55842974
   0.81399084  0.70400870  0.79840212
   0.63040592  0.81531125  0.42712025
   0.88265849  0.95876593  0.82636915
   0.93818117  0.86104954  0.66617843
   0.68455764  0.91326214  0.72474030
   0.76923288  0.61944333  0.97470407
   0.52806982  0.68281694  0.88765990
   0.66629314  0.80262789  0.57486617
   0.54280498  0.85620007  0.40618066
   0.87345153  0.25571097  0.07122417
   1.00045780  0.40472213  0.29980962
   0.32835367  0.12452205  0.62998995
   0.20937828  0.76488168  0.77853193
   0.09668316  1.13485720  0.19126749
   0.23683458  1.04844296 -0.00591511
   0.63734327  0.39210343  0.86372164
   0.91042826  0.48432198  0.62502369
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968539    0.209220   -0.184530
    -0.000000    9.825529    0.036523
    -0.000000    0.000000   13.998576
   Si   O    H 
    32    64    10
Direct configuration=  1577
   0.16966838  0.17454251 -0.04353113
   0.37944425  0.08392614  0.37923761
   0.14423997  0.40506556  0.11893067
   0.39149443  0.33191480  0.24999116
   0.09318169  0.14715368  0.47403886
   0.41826519  0.14608112  0.85931493
   0.12770493  0.39670087  0.62413944
   0.37025020  0.37912884  0.74688296
   0.13561914  0.67325338  0.01086161
   0.39738381  0.57734089  0.35586218
   0.08940179  0.89698369  0.14638458
   0.34987700  0.83502803  0.24220267
   0.17259090  0.64871198  0.49795456
   0.37054714  0.64626902  0.85935039
   0.06840626  0.90784011  0.60923670
   0.32587077  1.00425837  0.68755870
   0.64965038  0.15638263  1.00256133
   0.85957715  0.12879478  0.34350240
   0.62534065  0.42658055  0.11843293
   0.87057076  0.31263889  0.16475717
   0.63233494  0.17692128  0.49708898
   0.88080813  0.11120300  0.86314104
   0.59840938  0.45545947  0.61510732
   0.75880405  0.37429196  0.79390446
   0.61217439  0.66579328 -0.01092656
   0.91439130  0.58564664  0.37992640
   0.58000799  0.90347054  0.12009632
   0.82179011  0.84400347  0.25445121
   0.64412339  0.65185424  0.45365005
   0.87613917  0.61423846  0.88843452
   0.61098535  0.92370321  0.61937112
   0.82395387  0.85619554  0.74695424
   0.09478325  0.06129819  0.14042049
   0.39826773  0.17367427  0.28132145
   0.13487653  0.32049452  0.01954448
   0.33013405  0.42730577  0.33626190
   0.53654983  0.37173850  0.20474030
   0.27572893  0.36883968  0.17417629
   0.22874132  0.09656548  0.42631881
   0.00016021  0.17515319  0.38219398
   0.02621995  0.01399538  0.52371360
   0.47933986  0.25350381  0.77240808
   0.11426122  0.28015482  0.53661859
   0.34268588  0.48895638  0.83912507
   0.46765268  0.47703661  0.68028702
   0.23712003  0.32614632  0.70087184
   0.28711994  0.23589665 -0.10583788
   0.03080313  0.14391874  0.90736068
   0.11888899  0.56312715  0.09622873
   0.39105511  0.67991913  0.26340992
   0.11732869  0.82636037  0.04459170
   0.38946251  0.91968204  0.34920633
   0.42876211  0.90727310  0.15651192
   0.19094389  0.84331728  0.22907916
   0.32355957  0.64549316  0.44748596
   0.06080580  0.63161661  0.41547095
   0.20696402  0.52063158  0.57192841
   0.29724223  0.73382640  0.76968028
   0.13864327  0.78248740  0.55032444
   0.37669496  1.01751326  0.79915661
   0.44538800  0.91842017  0.62904225
   0.17481781  0.95669740  0.69433444
   0.28174246  0.67736631 -0.04187418
   0.02051239  0.64673693  0.93175833
   0.64006741  0.05798195  0.09441922
   0.82364337  0.20326956  0.24187197
   0.61118441  0.31538536  0.03086705
   0.91366086  0.44195438  0.32901987
   0.03518763  0.34180969  0.19355396
   0.77070707  0.44341819  0.16773018
   0.73989440  0.18372440  0.41260802
   0.47872097  0.12477559  0.46148797
   0.68378656  0.06227236  0.57963817
   0.82511873  0.22424295  0.78485007
   0.62131568  0.33004969  0.54195674
   0.88604545  0.46039096  0.84924111
   0.98134198  0.45775396  0.67002752
   0.73345708  0.44295871  0.68684135
   0.79719877  0.14236781  0.96066547
   0.53551835  0.09583565  0.93464365
   0.54450937  0.56366795  0.07282957
   0.85695295  0.69820845  0.30394238
   0.62092223  0.81185402  0.03154387
   0.86230413  0.96490310  0.33228849
   0.93418259  0.86478302  0.17294062
   0.66607705  0.83999209  0.21889349
   0.80047622  0.59877805  0.45841655
   0.55626682  0.55753168  0.37900582
   0.60245569  0.59252865  0.55792981
   0.81551669  0.70319334  0.79787199
   0.63122781  0.81370342  0.42608579
   0.88141413  0.95797110  0.82585579
   0.93981948  0.86171397  0.66442596
   0.68485553  0.91540142  0.72431797
   0.76663257  0.62077761  0.97398739
   0.52764652  0.68258081  0.88857007
   0.66446887  0.80228043  0.57273344
   0.54250638  0.85460715  0.40219570
   0.86532729  0.25661146  0.06867459
   0.99324842  0.41160161  0.30634615
   0.33236219  0.12806974  0.62585156
   0.20421710  0.78079585  0.78142552
   0.09742466  1.13308494  0.19021826
   0.23657678  1.04243814 -0.00367294
   0.64157017  0.38884977  0.86137324
   0.90428854  0.48115380  0.62879460
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967480    0.204478   -0.181563
    -0.000000    9.826610    0.032892
    -0.000000    0.000000   13.999045
   Si   O    H 
    32    64    10
Direct configuration=  1578
   0.17004637  0.17483906 -0.04280323
   0.37958111  0.08374145  0.37939420
   0.14393545  0.40495910  0.11907118
   0.39222828  0.33091965  0.24929463
   0.09299466  0.14593097  0.47299152
   0.41880133  0.14536593  0.85919795
   0.12695795  0.39791379  0.62509872
   0.37033164  0.37825435  0.74726930
   0.13507922  0.67280144  0.01137729
   0.39874863  0.57606639  0.35609722
   0.08968148  0.89668314  0.14622362
   0.35045129  0.83615075  0.24289617
   0.17411243  0.64784452  0.49685488
   0.37003952  0.64567481  0.85966047
   0.06844843  0.90798014  0.60844004
   0.32678826  1.00412161  0.68732418
   0.64798221  0.15653828  1.00297840
   0.86077585  0.13023342  0.34368117
   0.62584770  0.42745107  0.11863019
   0.86946686  0.31211784  0.16474764
   0.63268257  0.17746756  0.49748098
   0.88253509  0.11133347  0.86362046
   0.59839448  0.45525451  0.61615555
   0.75819280  0.37399555  0.79509440
   0.61227829  0.66745684 -0.01103904
   0.91530269  0.58676062  0.37956423
   0.58062468  0.90423784  0.12040976
   0.82221696  0.84601366  0.25466156
   0.64395805  0.65234132  0.45296587
   0.87599593  0.61405858  0.88860011
   0.61164622  0.92310131  0.61963896
   0.82431787  0.85379262  0.74725374
   0.09429843  0.06222291  0.13967070
   0.39949038  0.17443396  0.28125758
   0.13678413  0.31918577  0.01911368
   0.33056272  0.42614326  0.33647048
   0.53609189  0.37092711  0.20416867
   0.27578176  0.37017440  0.17445757
   0.22719783  0.09619136  0.42688402
   0.00068064  0.17654363  0.38345079
   0.02716776  0.01290496  0.52436121
   0.47797916  0.25464765  0.77228931
   0.11539131  0.28111020  0.53625236
   0.34216516  0.49071975  0.83866234
   0.46718624  0.47760659  0.67981019
   0.23631085  0.32373098  0.70056441
   0.28866749  0.23481700 -0.10648163
   0.02776428  0.14452646  0.90786213
   0.11963208  0.56261368  0.09568078
   0.39220307  0.68031333  0.26427362
   0.11593473  0.82431715  0.04442336
   0.38870504  0.91797188  0.34987337
   0.42965834  0.90613543  0.15762019
   0.19098166  0.84199557  0.22728084
   0.32261858  0.64512289  0.44666350
   0.05985309  0.63182403  0.41526344
   0.20679233  0.52109175  0.57183347
   0.29757839  0.73293380  0.77008583
   0.13753065  0.78135403  0.55012019
   0.37779448  1.01983659  0.79916688
   0.44719592  0.91725812  0.63016996
   0.17463009  0.95706563  0.69363217
   0.28100810  0.67800478 -0.04053202
   0.01984397  0.64691854  0.93099869
   0.63991555  0.05883882  0.09396568
   0.82377794  0.20212793  0.24208002
   0.61186653  0.31674680  0.03079243
   0.91354817  0.43932468  0.32899026
   0.03455249  0.34073213  0.19304924
   0.77021978  0.44414685  0.16770429
   0.73804791  0.18249311  0.41185368
   0.47912838  0.12583867  0.46126255
   0.68393253  0.06341784  0.58066238
   0.82482096  0.22133207  0.78600494
   0.62237308  0.33058108  0.54245209
   0.88490490  0.46233233  0.84981407
   0.98313885  0.45833160  0.67067921
   0.73385928  0.44132214  0.68792938
   0.79861517  0.14156215  0.96121436
   0.53555886  0.09635379  0.93417887
   0.54627184  0.56444595  0.07338437
   0.85706627  0.69852566  0.30491938
   0.62060667  0.81274686  0.03196399
   0.86013022  0.96417206  0.33265593
   0.93241850  0.86561633  0.17310132
   0.66451792  0.84249288  0.22057560
   0.79940271  0.59805556  0.45841193
   0.55559099  0.55855742  0.37961422
   0.60253000  0.59187759  0.55757418
   0.81676794  0.70294819  0.79709938
   0.63117303  0.81306596  0.42576378
   0.88027648  0.95719135  0.82505627
   0.94115079  0.86213341  0.66334646
   0.68403927  0.91722394  0.72420072
   0.76452397  0.62129223  0.97311633
   0.52726897  0.68195078  0.88943836
   0.66199201  0.80411707  0.56967563
   0.54316643  0.85003548  0.39529419
   0.85985877  0.25669023  0.06682917
   0.99991050  0.41243952  0.30783051
   0.33389901  0.13223784  0.62315144
   0.20973939  0.78942253  0.78473800
   0.09770259  1.13006951  0.18627620
   0.23299238  1.04207321 -0.00226365
   0.64907633  0.38497533  0.85391745
   0.89962973  0.47574527  0.63606611
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.966679    0.200048   -0.178033
    -0.000000    9.827689    0.029591
    -0.000000    0.000000   13.999281
   Si   O    H 
    32    64    10
Direct configuration=  1579
   0.17077140  0.17551087 -0.04201466
   0.37897336  0.08364579  0.37950643
   0.14396790  0.40446303  0.11885287
   0.39255536  0.33045967  0.24869047
   0.09274403  0.14512204  0.47218962
   0.41941414  0.14518053  0.85884458
   0.12604688  0.39917351  0.62592435
   0.37099114  0.37753571  0.74743547
   0.13531654  0.67216720  0.01151493
   0.40009412  0.57475719  0.35608824
   0.08944892  0.89694486  0.14602324
   0.35104973  0.83685104  0.24364088
   0.17604351  0.64652737  0.49570121
   0.36944390  0.64550375  0.86040384
   0.06880715  0.90800829  0.60737681
   0.32801129  1.00419568  0.68693539
   0.64689335  0.15597704  1.00375621
   0.86148373  0.13179050  0.34385592
   0.62638865  0.42821580  0.11844391
   0.86870023  0.31151968  0.16462332
   0.63351029  0.17822752  0.49846807
   0.88442046  0.11124930  0.86392947
   0.59817324  0.45524381  0.61706553
   0.75825272  0.37400273  0.79613759
   0.61203051  0.66836901 -0.01062411
   0.91588757  0.58750559  0.37948461
   0.58177385  0.90538870  0.12073800
   0.82325950  0.84754774  0.25539171
   0.64390469  0.65211011  0.45211793
   0.87489123  0.61360833  0.88827557
   0.61225886  0.92194930  0.61966246
   0.82586414  0.85155879  0.74770458
   0.09421653  0.06224809  0.13826296
   0.40012190  0.17467514  0.28127125
   0.13761079  0.31809022  0.01865334
   0.33205017  0.42478153  0.33653900
   0.53513821  0.37025722  0.20480605
   0.27577095  0.37189480  0.17455834
   0.22663761  0.09561339  0.42755397
   0.00129163  0.17762330  0.38399205
   0.02783952  0.01184789  0.52528005
   0.47668586  0.25538806  0.77259048
   0.11597782  0.28201662  0.53630027
   0.34190300  0.49143141  0.83803533
   0.46595513  0.47803569  0.67952267
   0.23547313  0.32218509  0.70053292
   0.28988434  0.23260898 -0.10715167
   0.02431750  0.14543839  0.90812162
   0.12059126  0.56155417  0.09544556
   0.39387397  0.68030719  0.26474255
   0.11377766  0.82357602  0.04466419
   0.38851782  0.91660213  0.35004429
   0.43033424  0.90548103  0.15861237
   0.19057926  0.84069917  0.22554172
   0.32163556  0.64487401  0.44579247
   0.05932930  0.63254019  0.41551471
   0.20584952  0.52265637  0.57207212
   0.29709043  0.73369079  0.77067156
   0.13633423  0.78190535  0.55037832
   0.37900405  1.02221228  0.79854114
   0.44907228  0.91579054  0.63156664
   0.17423322  0.95740210  0.69306584
   0.27935126  0.67921065 -0.03893610
   0.01954296  0.64752506  0.93000262
   0.63976926  0.05847836  0.09412481
   0.82409004  0.20051308  0.24203735
   0.61239387  0.31729339  0.03155169
   0.91261925  0.43737226  0.32909766
   0.03352754  0.34012112  0.19210383
   0.77035336  0.44500022  0.16725908
   0.73663665  0.18134626  0.41051358
   0.48036176  0.12750448  0.46060239
   0.68448016  0.06368823  0.58129346
   0.82427886  0.21891552  0.78696647
   0.62298676  0.32964515  0.54327071
   0.88426283  0.46312690  0.85002238
   0.98479613  0.45882484  0.67126785
   0.73375084  0.43923573  0.68902754
   0.79979969  0.14010496  0.96180838
   0.53561519  0.09751904  0.93388316
   0.54813906  0.56511496  0.07383714
   0.85721553  0.69936216  0.30579515
   0.61984163  0.81439030  0.03223321
   0.85939526  0.96369261  0.33340288
   0.93098341  0.86670640  0.17315688
   0.66388390  0.84431232  0.22212441
   0.79852378  0.59780830  0.45871979
   0.55548000  0.55969127  0.37963806
   0.60210188  0.59163448  0.55724501
   0.81821526  0.70295813  0.79670790
   0.63038255  0.81193129  0.42562471
   0.87920154  0.95712742  0.82510507
   0.94252143  0.86233929  0.66216083
   0.68312014  0.91971912  0.72391418
   0.76312420  0.62189912  0.97184873
   0.52694520  0.68057941  0.89012735
   0.65973668  0.80361098  0.56774804
   0.55061269  0.84576912  0.38852323
   0.86083299  0.25957890  0.06584481
   1.00927384  0.40858041  0.30973465
   0.33472987  0.13355209  0.62257200
   0.22382929  0.78938327  0.78518335
   0.09565065  1.13280203  0.18529573
   0.23063927  1.04599961 -0.00177742
   0.64774921  0.38467334  0.84866055
   0.89568476  0.47084613  0.63936363
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965741    0.195928   -0.173827
    -0.000000    9.828683    0.025965
    -0.000000    0.000000   13.999480
   Si   O    H 
    32    64    10
Direct configuration=  1580
   0.17091285  0.17639647 -0.04142695
   0.37748154  0.08323727  0.37949726
   0.14354985  0.40358492  0.11860722
   0.39338891  0.32984396  0.24796106
   0.09228727  0.14432861  0.47186367
   0.42003804  0.14545125  0.85838736
   0.12525686  0.40024678  0.62656102
   0.37210403  0.37674783  0.74771600
   0.13571305  0.67152120  0.01136110
   0.40122698  0.57397481  0.35617438
   0.08852858  0.89716481  0.14533655
   0.35116629  0.83740210  0.24441717
   0.17760243  0.64537364  0.49497950
   0.36935336  0.64565706  0.86098148
   0.06923964  0.90796153  0.60672781
   0.32927164  1.00415963  0.68660657
   0.64595531  0.15534846  1.00421797
   0.86176982  0.13328894  0.34418539
   0.62657710  0.42928442  0.11800730
   0.86782166  0.31174639  0.16458518
   0.63413487  0.17863545  0.49931327
   0.88580896  0.11079652  0.86465354
   0.59837866  0.45535103  0.61782931
   0.75907381  0.37377041  0.79710950
   0.61159022  0.66909254 -0.01007629
   0.91572881  0.58808436  0.37948717
   0.58246631  0.90645986  0.12127296
   0.82459105  0.84876410  0.25632064
   0.64397602  0.65130106  0.45201378
   0.87425779  0.61338333  0.88797283
   0.61215489  0.92061954  0.62003554
   0.82761662  0.84960309  0.74845568
   0.09416031  0.06217285  0.13705443
   0.40042020  0.17503647  0.28167506
   0.13845671  0.31725351  0.01780116
   0.33363708  0.42423955  0.33723043
   0.53322446  0.37008377  0.20549858
   0.27594599  0.37382456  0.17501534
   0.22699705  0.09378644  0.42800126
   0.00156498  0.17830630  0.38419285
   0.02857765  0.01135786  0.52638275
   0.47538310  0.25511712  0.77332662
   0.11683099  0.28314666  0.53687638
   0.34197483  0.49108421  0.83666807
   0.46537014  0.47813198  0.67912442
   0.23372130  0.32063816  0.70075042
   0.29129659  0.23180508 -0.10752048
   0.02246225  0.14613192  0.90830017
   0.12098062  0.56011944  0.09526986
   0.39533503  0.68098525  0.26457571
   0.11097023  0.82329542  0.04512653
   0.38878168  0.91574164  0.35001417
   0.43109790  0.90442928  0.15935613
   0.19072605  0.83998350  0.22419998
   0.32139936  0.64480627  0.44516245
   0.05970984  0.63217667  0.41599193
   0.20537723  0.52437509  0.57252482
   0.29788250  0.73460764  0.77138262
   0.13504412  0.78223559  0.55106199
   0.38103556  1.02354860  0.79780636
   0.45113985  0.91445506  0.63272576
   0.17409093  0.95801906  0.69238280
   0.27830036  0.67970145 -0.03811892
   0.01996461  0.64764001  0.92945520
   0.63930257  0.05732805  0.09464193
   0.82481979  0.19924576  0.24304700
   0.61249575  0.31780501  0.03189330
   0.91249176  0.43509399  0.32962305
   0.03192414  0.34018640  0.19040651
   0.76996987  0.44586753  0.16727647
   0.73534241  0.18010190  0.40883787
   0.48129464  0.12997428  0.46007426
   0.68449755  0.06309495  0.58197305
   0.82353040  0.21644454  0.78816403
   0.62397483  0.32824860  0.54364834
   0.88369754  0.46279745  0.85022278
   0.98665565  0.45866800  0.67203370
   0.73386330  0.43738668  0.68975385
   0.80099876  0.13814270  0.96197009
   0.53561426  0.09854990  0.93295227
   0.54974517  0.56544995  0.07352174
   0.85779284  0.70042518  0.30638546
   0.61880825  0.81665559  0.03312946
   0.85899356  0.96393093  0.33427121
   0.92950914  0.86680660  0.17270601
   0.66301261  0.84645866  0.22323378
   0.79715420  0.59746368  0.45910271
   0.55507002  0.56109736  0.38003172
   0.60198515  0.59079791  0.55684033
   0.81941630  0.70280527  0.79624522
   0.62981128  0.81068098  0.42528104
   0.87784919  0.95747033  0.82557082
   0.94302135  0.86185712  0.66140313
   0.68253645  0.92235024  0.72417886
   0.76207644  0.62319503  0.97059816
   0.52618121  0.67889229  0.89049010
   0.65775635  0.80441291  0.56649014
   0.55866288  0.84123564  0.38101831
   0.86401054  0.26336518  0.06550576
   1.00867147  0.40600304  0.31171332
   0.33362667  0.13347444  0.62572699
   0.23033986  0.79496216  0.78718014
   0.09069200  1.13853178  0.18396732
   0.23211819  1.05140696 -0.00255894
   0.63382456  0.38621047  0.84969992
   0.89445372  0.46579949  0.64273428
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964608    0.192042   -0.169278
    -0.000000    9.829230    0.022632
    -0.000000    0.000000   13.999645
   Si   O    H 
    32    64    10
Direct configuration=  1581
   0.17056145  0.17705325 -0.04063483
   0.37638927  0.08249430  0.37976792
   0.14280462  0.40248250  0.11814188
   0.39430105  0.32903938  0.24729738
   0.09152936  0.14432293  0.47190480
   0.42026332  0.14691723  0.85779738
   0.12403504  0.40132812  0.62673279
   0.37307132  0.37671869  0.74826945
   0.13601193  0.67090752  0.01131470
   0.40248555  0.57370516  0.35594330
   0.08720540  0.89755583  0.14507322
   0.35137861  0.83768439  0.24515888
   0.17996537  0.64375848  0.49425229
   0.36904254  0.64603374  0.86182433
   0.06979895  0.90783920  0.60656195
   0.33096067  1.00387283  0.68623698
   0.64543032  0.15496108  1.00491482
   0.86199535  0.13495061  0.34487960
   0.62623004  0.43066885  0.11736858
   0.86689630  0.31198763  0.16496110
   0.63507406  0.17800442  0.50051699
   0.88690656  0.11027200  0.86495986
   0.59963860  0.45521424  0.61838098
   0.76008954  0.37348670  0.79800901
   0.61097212  0.66990786 -0.00942068
   0.91535870  0.58852780  0.37960975
   0.58342789  0.90753238  0.12238147
   0.82593281  0.85006020  0.25712329
   0.64428310  0.64977400  0.45188329
   0.87308528  0.61259268  0.88777194
   0.61259940  0.91979883  0.62038469
   0.82899826  0.84753458  0.74936546
   0.09397706  0.06287189  0.13573696
   0.40115454  0.17534836  0.28232083
   0.13959795  0.31677049  0.01767607
   0.33555828  0.42390421  0.33834075
   0.53190750  0.37017511  0.20595734
   0.27715854  0.37528010  0.17523805
   0.22808690  0.09217483  0.42804162
   0.00151618  0.17894372  0.38470506
   0.02869476  0.01142837  0.52715730
   0.47476640  0.25443953  0.77450485
   0.11690381  0.28389483  0.53767887
   0.34269279  0.49038301  0.83594747
   0.46468656  0.47823067  0.67864403
   0.23201694  0.32010977  0.70056902
   0.29271166  0.23099908 -0.10781428
   0.02129066  0.14720412  0.90824193
   0.12108607  0.55932584  0.09524909
   0.39604336  0.68212071  0.26410031
   0.10879791  0.82271284  0.04559149
   0.38901860  0.91573061  0.34931160
   0.43141249  0.90375996  0.15983008
   0.19012012  0.83884382  0.22339108
   0.32218083  0.64481913  0.44469176
   0.06036625  0.63117655  0.41620102
   0.20510268  0.52565188  0.57330117
   0.29949555  0.73468525  0.77156016
   0.13404671  0.78351952  0.55147345
   0.38247970  1.02377287  0.79676984
   0.45250321  0.91282176  0.63348467
   0.17392696  0.95780738  0.69150146
   0.27807573  0.67989774 -0.03801835
   0.02035305  0.64766224  0.92959632
   0.63834391  0.05545510  0.09524759
   0.82535309  0.19816101  0.24416283
   0.61214249  0.31761400  0.03200025
   0.91344598  0.43332957  0.33011380
   0.03017021  0.34029301  0.18873240
   0.76950633  0.44590636  0.16687825
   0.73406452  0.17879328  0.40706141
   0.48289755  0.13220071  0.45972228
   0.68319362  0.06282876  0.58237585
   0.82236673  0.21523249  0.78913814
   0.62427929  0.32639186  0.54376440
   0.88240738  0.46104394  0.85066689
   0.98917033  0.45827953  0.67193167
   0.73328272  0.43533749  0.68998289
   0.80136424  0.13612671  0.96211931
   0.53436734  0.09899879  0.93185151
   0.55087878  0.56680681  0.07310924
   0.85808988  0.70158021  0.30682934
   0.61814796  0.81856686  0.03385261
   0.85852385  0.96469828  0.33487355
   0.92809944  0.86738617  0.17194056
   0.66276435  0.84851063  0.22412896
   0.79602672  0.59722079  0.45914053
   0.55526405  0.56310003  0.38062909
   0.60118246  0.59074744  0.55596784
   0.82108603  0.70297561  0.79578043
   0.62870918  0.80966446  0.42493140
   0.87660240  0.95850498  0.82608474
   0.94299669  0.86039045  0.66056958
   0.68162476  0.92478574  0.72516627
   0.76180802  0.62401188  0.96938594
   0.52545597  0.67648922  0.89074093
   0.65696981  0.80796477  0.56770026
   0.56631476  0.83535585  0.37377050
   0.86353699  0.26482882  0.06635673
   1.00159352  0.40170456  0.31252053
   0.33067489  0.12963621  0.62904346
   0.22737475  0.80749835  0.79190155
   0.08808159  1.14129157  0.17966873
   0.23254258  1.05473636 -0.00402761
   0.62499104  0.38921040  0.85204877
   0.89469892  0.45939711  0.64752242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963217    0.188388   -0.164723
    -0.000000    9.829448    0.019400
    -0.000000    0.000000   13.999921
   Si   O    H 
    32    64    10
Direct configuration=  1582
   0.17001170  0.17769577 -0.04027213
   0.37569520  0.08148735  0.38025378
   0.14209448  0.40133429  0.11732761
   0.39565754  0.32761411  0.24690988
   0.09144283  0.14487323  0.47274772
   0.42158086  0.14922393  0.85732533
   0.12339663  0.40225638  0.62676999
   0.37418536  0.37698206  0.74868708
   0.13609191  0.67008809  0.01103811
   0.40304402  0.57332651  0.35543043
   0.08536925  0.89854353  0.14490297
   0.35139670  0.83715795  0.24610681
   0.18203098  0.64234985  0.49375541
   0.36875751  0.64576646  0.86270735
   0.06982468  0.90747745  0.60665478
   0.33253966  1.00376573  0.68603194
   0.64425661  0.15485424  1.00521692
   0.86223595  0.13651901  0.34552574
   0.62533294  0.43189257  0.11694488
   0.86599027  0.31183565  0.16598128
   0.63623388  0.17689394  0.50129972
   0.88793817  0.10959146  0.86509271
   0.60061915  0.45494374  0.61871980
   0.76145222  0.37332998  0.79860249
   0.60995889  0.66992445 -0.00851962
   0.91493917  0.58909094  0.37973694
   0.58448011  0.90863122  0.12348908
   0.82708328  0.85077322  0.25771038
   0.64451003  0.64837594  0.45182072
   0.87250830  0.61118052  0.88789402
   0.61329661  0.91941964  0.62071767
   0.83020362  0.84623939  0.75032021
   0.09397483  0.06395458  0.13498049
   0.40132014  0.17507417  0.28285610
   0.14058472  0.31688648  0.01730635
   0.33825199  0.42428869  0.33903865
   0.53111282  0.37051381  0.20587242
   0.27861214  0.37654476  0.17581514
   0.22906915  0.09031239  0.42773169
   0.00102246  0.18016151  0.38492188
   0.02768263  0.01264254  0.52710580
   0.47377862  0.25378721  0.77579804
   0.11645579  0.28401004  0.53898099
   0.34273249  0.48858898  0.83471617
   0.46298099  0.47782859  0.67858091
   0.22971135  0.32015704  0.70057382
   0.29394396  0.23109341 -0.10826432
   0.02256073  0.14797628  0.90817364
   0.12034491  0.55852934  0.09517012
   0.39651590  0.68233312  0.26353363
   0.10694016  0.82165354  0.04585503
   0.38919930  0.91647034  0.34895606
   0.43064446  0.90363498  0.16002116
   0.19009363  0.83704625  0.22292455
   0.32304307  0.64547646  0.44366890
   0.06098984  0.62984712  0.41681209
   0.20473776  0.52650935  0.57443987
   0.30010276  0.73495221  0.77152463
   0.13308023  0.78414675  0.55173856
   0.38327736  1.02353838  0.79531525
   0.45213100  0.91215180  0.63421680
   0.17449633  0.95760412  0.69069519
   0.27795927  0.67848820 -0.03818086
   0.02051991  0.64697086  0.92960793
   0.63776170  0.05377075  0.09636886
   0.82602088  0.19691948  0.24428250
   0.61178184  0.31701007  0.03213904
   0.91402949  0.43199673  0.33040156
   0.02847679  0.34044191  0.18707990
   0.76863669  0.44605827  0.16675644
   0.73371122  0.17716213  0.40513557
   0.48439295  0.13363419  0.45907471
   0.68188598  0.06274486  0.58243751
   0.82055534  0.21529290  0.79053918
   0.62467062  0.32510056  0.54395338
   0.88055814  0.45893899  0.85128121
   0.99138682  0.45856380  0.67174204
   0.73198789  0.43211157  0.69013812
   0.80123656  0.13385978  0.96244613
   0.53346900  0.10024984  0.93110711
   0.55257330  0.56778803  0.07271555
   0.85767908  0.70322611  0.30659654
   0.61761058  0.82060040  0.03478262
   0.85794591  0.96546840  0.33533114
   0.92652565  0.86744134  0.17112630
   0.66269630  0.85058766  0.22494093
   0.79528415  0.59815021  0.45920874
   0.55575995  0.56475242  0.38052963
   0.60068862  0.59037231  0.55542908
   0.82202499  0.70264220  0.79494697
   0.62742903  0.80869405  0.42462838
   0.87511929  0.95937091  0.82678189
   0.94154290  0.85849932  0.66105655
   0.68056540  0.92623165  0.72655293
   0.76317859  0.62355605  0.96853269
   0.52399695  0.67388357  0.89114453
   0.65765719  0.80470334  0.56653675
   0.57097531  0.83202693  0.36614497
   0.86441982  0.26339824  0.06750553
   1.00094873  0.39525481  0.31127394
   0.32623799  0.12583163  0.63273484
   0.23518732  0.81257014  0.79254908
   0.08630535  1.14321420  0.17395599
   0.23504271  1.05838166 -0.00441742
   0.62267144  0.39095681  0.85440517
   0.89404908  0.45012994  0.65146600
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961626    0.184480   -0.160698
    -0.000000    9.829586    0.016103
    -0.000000    0.000000   13.999677
   Si   O    H 
    32    64    10
Direct configuration=  1583
   0.16916043  0.17848507 -0.04047163
   0.37513853  0.08065756  0.38094204
   0.14146995  0.39986760  0.11715413
   0.39709036  0.32669971  0.24675122
   0.09192395  0.14511552  0.47365404
   0.42319845  0.15159907  0.85693069
   0.12322872  0.40331649  0.62714845
   0.37471117  0.37787764  0.74861547
   0.13589286  0.66931437  0.01100970
   0.40303309  0.57344118  0.35474752
   0.08374828  0.89955513  0.14450792
   0.35138878  0.83714247  0.24619444
   0.18318166  0.64055934  0.49395537
   0.36805341  0.64583582  0.86310916
   0.06996442  0.90677412  0.60686010
   0.33414064  1.00380274  0.68606506
   0.64389260  0.15544715  1.00586556
   0.86228326  0.13762362  0.34560466
   0.62437039  0.43304413  0.11698727
   0.86537231  0.31157420  0.16682920
   0.63729121  0.17577339  0.50177459
   0.88848326  0.10905819  0.86566045
   0.60161605  0.45404490  0.61894619
   0.76255595  0.37312320  0.79892018
   0.60942355  0.67052914 -0.00777436
   0.91419518  0.58927216  0.38032656
   0.58550946  0.91013929  0.12457264
   0.82786967  0.85095783  0.25822480
   0.64478088  0.64749470  0.45203287
   0.87217503  0.60984408  0.88794133
   0.61333265  0.91985847  0.62126495
   0.83150294  0.84546947  0.75076867
   0.09432509  0.06459372  0.13365406
   0.40143917  0.17450295  0.28328454
   0.14046863  0.31703808  0.01694570
   0.34156513  0.42443410  0.34006466
   0.53098770  0.37165315  0.20532894
   0.28063472  0.37737042  0.17626767
   0.22967225  0.08861157  0.42740994
   0.00049247  0.18123480  0.38527289
   0.02664826  0.01507565  0.52688949
   0.47350495  0.25242605  0.77758302
   0.11582469  0.28385465  0.53983354
   0.34192174  0.48691544  0.83382737
   0.46111128  0.47617817  0.67849521
   0.22728726  0.32025135  0.70091277
   0.29479579  0.23092148 -0.10790867
   0.02521137  0.14876151  0.90832544
   0.12046057  0.55767064  0.09550466
   0.39625220  0.68180857  0.26374635
   0.10594855  0.82030058  0.04632926
   0.38895683  0.91761651  0.34881978
   0.43010741  0.90407119  0.15944456
   0.18927275  0.83575793  0.22239924
   0.32421085  0.64616718  0.44223774
   0.06201128  0.62902427  0.41730499
   0.20414734  0.52743414  0.57493396
   0.30035260  0.73579422  0.77154929
   0.13305489  0.78415297  0.55218176
   0.38434910  1.02222497  0.79409069
   0.45193821  0.91112523  0.63453413
   0.17543985  0.95804321  0.68994426
   0.27783124  0.67774596 -0.03867073
   0.02063297  0.64701991  0.92957394
   0.63768064  0.05235424  0.09752052
   0.82617251  0.19690200  0.24383162
   0.61206758  0.31703715  0.03189289
   0.91399594  0.43111313  0.33123328
   0.02703962  0.34122240  0.18570881
   0.76754172  0.44624596  0.16680529
   0.73273831  0.17647469  0.40373585
   0.48655980  0.13456248  0.45858583
   0.67954043  0.06318353  0.58243270
   0.81887153  0.21563951  0.79112722
   0.62446699  0.32438039  0.54450582
   0.87819726  0.45614870  0.85120356
   0.99299825  0.45934658  0.67159152
   0.73061334  0.42984196  0.68985308
   0.79972236  0.13151441  0.96212118
   0.53305358  0.10087184  0.93083522
   0.55391364  0.56938054  0.07200832
   0.85702343  0.70458735  0.30599114
   0.61759398  0.82217390  0.03540442
   0.85819064  0.96644887  0.33556452
   0.92473653  0.86607331  0.17022261
   0.66225505  0.85306548  0.22530367
   0.79507185  0.59900069  0.45849416
   0.55645256  0.56597486  0.38013097
   0.59925609  0.59035537  0.55596537
   0.82163378  0.70191035  0.79410713
   0.62617084  0.80846937  0.42433266
   0.87409067  0.95995933  0.82717791
   0.93953830  0.85688777  0.66232564
   0.67990103  0.92771568  0.72794654
   0.76420463  0.62363713  0.96764114
   0.52310634  0.67074880  0.89149582
   0.65728452  0.80461550  0.56536960
   0.57823160  0.82690893  0.36319559
   0.86765199  0.26454005  0.07081081
   1.00208737  0.38801390  0.31057747
   0.32342400  0.12863924  0.63521049
   0.24802460  0.80935158  0.79194636
   0.08591117  1.14591094  0.17264723
   0.23859775  1.05609385 -0.00127219
   0.63072045  0.39499137  0.85212346
   0.89728672  0.44054330  0.65656525
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960353    0.181080   -0.156961
    -0.000000    9.829578    0.012467
    -0.000000    0.000000   13.999451
   Si   O    H 
    32    64    10
Direct configuration=  1584
   0.16857641  0.17871393 -0.04081084
   0.37481821  0.08010965  0.38159937
   0.14114101  0.39883191  0.11705725
   0.39778335  0.32577686  0.24665823
   0.09250325  0.14587188  0.47458962
   0.42483840  0.15351065  0.85656859
   0.12316753  0.40358067  0.62722232
   0.37467990  0.37934894  0.74816054
   0.13578340  0.66857400  0.01099732
   0.40323166  0.57337309  0.35397815
   0.08197064  0.90032177  0.14407847
   0.35116069  0.83735918  0.24670595
   0.18353858  0.63947442  0.49469674
   0.36740647  0.64586582  0.86337418
   0.06975907  0.90660040  0.60709235
   0.33497558  1.00359385  0.68636710
   0.64402059  0.15578613  1.00646132
   0.86203740  0.13841968  0.34550079
   0.62398484  0.43423959  0.11702078
   0.86503694  0.31152227  0.16812911
   0.63838487  0.17417324  0.50214463
   0.88849062  0.10901001  0.86618654
   0.60224665  0.45268573  0.61882101
   0.76344901  0.37227970  0.79932762
   0.60862323  0.67114101 -0.00727222
   0.91351795  0.58921344  0.38070467
   0.58569651  0.91109714  0.12592747
   0.82840624  0.85118831  0.25900665
   0.64381063  0.64667414  0.45209765
   0.87239278  0.60864884  0.88827311
   0.61290801  0.92049463  0.62183895
   0.83311416  0.84588581  0.75100868
   0.09455330  0.06444061  0.13236977
   0.40124424  0.17282263  0.28354120
   0.13976510  0.31773044  0.01678239
   0.34399218  0.42436466  0.34092408
   0.53212478  0.37364463  0.20446370
   0.28248933  0.37805051  0.17622549
   0.22986708  0.08663637  0.42682365
  -0.00009773  0.18199279  0.38534555
   0.02549035  0.01863121  0.52712742
   0.47341329  0.25219294  0.77856310
   0.11427921  0.28311635  0.53986177
   0.34084966  0.48502514  0.83262090
   0.45978277  0.47453209  0.67862534
   0.22674352  0.32012066  0.70170369
   0.29534383  0.23110207 -0.10773499
   0.02825774  0.14910058  0.90821977
   0.12026075  0.55743373  0.09629548
   0.39615579  0.68058677  0.26354412
   0.10478970  0.81836203  0.04715735
   0.38923832  0.91800319  0.34838890
   0.42968373  0.90513821  0.15850294
   0.18972715  0.83569046  0.22197510
   0.32496044  0.64706530  0.44131597
   0.06373530  0.62895327  0.41817750
   0.20283547  0.52765181  0.57527232
   0.30167170  0.73646209  0.77147221
   0.13289267  0.78363573  0.55246387
   0.38423058  1.02173091  0.79382286
   0.45127995  0.90976616  0.63481137
   0.17640115  0.95894700  0.68921248
   0.27824211  0.67694147 -0.03900041
   0.01966689  0.64666754  0.92908279
   0.63714168  0.05150905  0.09824312
   0.82654447  0.19695478  0.24307240
   0.61208559  0.31618916  0.03156564
   0.91418713  0.43145717  0.33230453
   0.02614290  0.34146550  0.18456615
   0.76702848  0.44660620  0.16667663
   0.73124905  0.17620691  0.40341011
   0.48850193  0.13459277  0.45789933
   0.67752982  0.06411441  0.58168495
   0.81786666  0.21557177  0.79108776
   0.62397026  0.32470661  0.54489454
   0.87648587  0.45421341  0.85114592
   0.99382739  0.45983611  0.67152478
   0.72981907  0.42790097  0.68995970
   0.79768460  0.12949003  0.96224485
   0.53290987  0.10176094  0.93016443
   0.55524583  0.57076726  0.07137444
   0.85653946  0.70580482  0.30520555
   0.61783080  0.82259437  0.03573456
   0.85855681  0.96731912  0.33574970
   0.92308524  0.86541424  0.16887190
   0.66172201  0.85626760  0.22569525
   0.79595926  0.59940801  0.45821045
   0.55755068  0.56671053  0.37948006
   0.59794926  0.58991374  0.55646488
   0.82124841  0.70034840  0.79331183
   0.62520949  0.80846037  0.42411919
   0.87368156  0.96015676  0.82777782
   0.93685157  0.85554775  0.66427663
   0.67923512  0.92826945  0.72962581
   0.76470709  0.62415293  0.96701675
   0.52173603  0.66871382  0.89215201
   0.65479734  0.80426255  0.56699360
   0.58490036  0.82166807  0.36286183
   0.86820655  0.26287672  0.07280819
   0.99786539  0.38814335  0.31089999
   0.31959194  0.13510877  0.63415742
   0.25247546  0.81170325  0.79382359
   0.08370786  1.14333428  0.17016563
   0.24382096  1.05192795  0.00272695
   0.64195605  0.39712230  0.85058750
   0.90493866  0.43089461  0.66106855
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959518    0.177096   -0.153740
    -0.000000    9.829638    0.009292
    -0.000000    0.000000   13.999532
   Si   O    H 
    32    64    10
Direct configuration=  1585
   0.16882275  0.17856807 -0.04119313
   0.37428338  0.07970166  0.38175608
   0.14162284  0.39781071  0.11695196
   0.39835009  0.32517290  0.24695398
   0.09295367  0.14686043  0.47550840
   0.42676861  0.15458998  0.85650033
   0.12417004  0.40359830  0.62688268
   0.37460576  0.38065221  0.74808125
   0.13526301  0.66874436  0.01083904
   0.40236030  0.57362781  0.35330984
   0.07988464  0.90122885  0.14394696
   0.35056629  0.83778976  0.24726249
   0.18435501  0.63931451  0.49544520
   0.36682716  0.64628725  0.86354258
   0.06932771  0.90703691  0.60750289
   0.33599305  1.00279845  0.68650229
   0.64469568  0.15652568  1.00719006
   0.86156818  0.13898493  0.34562329
   0.62286273  0.43519549  0.11689593
   0.86485680  0.31224107  0.16946202
   0.63944864  0.17226912  0.50227106
   0.88804223  0.10898271  0.86703058
   0.60258686  0.45150249  0.61836063
   0.76441022  0.37121654  0.79940348
   0.60822172  0.67204316 -0.00700476
   0.91297042  0.58911423  0.38073522
   0.58601515  0.91164852  0.12718046
   0.82870380  0.85122222  0.25948044
   0.64279493  0.64571573  0.45207682
   0.87235227  0.60777402  0.88834678
   0.61253795  0.92033005  0.62257759
   0.83417064  0.84674319  0.75093835
   0.09398427  0.06412020  0.13159412
   0.40087400  0.17112827  0.28372968
   0.13883341  0.31793501  0.01677578
   0.34580906  0.42389005  0.34169565
   0.53342477  0.37660641  0.20375807
   0.28432517  0.37829444  0.17602363
   0.22957619  0.08533089  0.42674763
   0.00025348  0.18315038  0.38554245
   0.02426018  0.02251975  0.52717977
   0.47252420  0.25273989  0.77916682
   0.11263036  0.28218551  0.53997875
   0.34000126  0.48275888  0.83198706
   0.45926400  0.47294341  0.67885036
   0.22679740  0.32004132  0.70265923
   0.29582205  0.23089297 -0.10703362
   0.03148126  0.14945701  0.90847274
   0.12033179  0.55713585  0.09730139
   0.39556945  0.67947533  0.26325866
   0.10430998  0.81686019  0.04813618
   0.38932598  0.91895403  0.34753698
   0.42968524  0.90677923  0.15712527
   0.19022066  0.83544623  0.22198346
   0.32502592  0.64864761  0.44037313
   0.06490865  0.62884555  0.41877181
   0.20151266  0.52785260  0.57547018
   0.30341486  0.73648480  0.77151888
   0.13326958  0.78286507  0.55228824
   0.38331846  1.02165086  0.79343586
   0.45085688  0.90848493  0.63481711
   0.17708248  0.95938817  0.68853456
   0.27795102  0.67690396 -0.03937186
   0.01835801  0.64618214  0.92907325
   0.63635931  0.05185230  0.09874577
   0.82653182  0.19664271  0.24164990
   0.61140243  0.31488089  0.03149348
   0.91355858  0.43183582  0.33363362
   0.02606358  0.34227580  0.18370828
   0.76667495  0.44702803  0.16627958
   0.72907208  0.17599051  0.40332820
   0.48972912  0.13433096  0.45742341
   0.67455473  0.06419218  0.58103008
   0.81753964  0.21587391  0.79031666
   0.62278928  0.32511869  0.54470801
   0.87526938  0.45286220  0.85095765
   0.99516388  0.46062806  0.67144331
   0.72950401  0.42685933  0.68989675
   0.79550516  0.12846332  0.96227033
   0.53320665  0.10213769  0.93039061
   0.55671536  0.57157907  0.07131464
   0.85651093  0.70664893  0.30456085
   0.61852248  0.82273436  0.03538252
   0.85926394  0.96815497  0.33670234
   0.92199459  0.86482393  0.16720397
   0.66092680  0.85952512  0.22622748
   0.79672669  0.59927725  0.45827530
   0.55919342  0.56648984  0.37886705
   0.59680118  0.59041269  0.55669775
   0.82042127  0.69858754  0.79291645
   0.62398532  0.80907017  0.42433414
   0.87351412  0.96059357  0.82851128
   0.93456351  0.85455260  0.66557061
   0.67856110  0.92920038  0.73107718
   0.76418663  0.62496950  0.96630513
   0.51990735  0.66750522  0.89257238
   0.65636316  0.80439464  0.57124075
   0.58971874  0.81578860  0.36064786
   0.86543850  0.25886019  0.07411643
   0.99240071  0.39076003  0.31263834
   0.31702679  0.14065963  0.63271635
   0.25237427  0.82086434  0.79650347
   0.07989453  1.14388857  0.16963739
   0.24097191  1.05075131  0.00379492
   0.65110304  0.39743343  0.84960311
   0.90349998  0.42198957  0.66368412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958813    0.173434   -0.150155
    -0.000000    9.829752    0.005662
    -0.000000    0.000000   13.999385
   Si   O    H 
    32    64    10
Direct configuration=  1586
   0.16945658  0.17864138 -0.04138891
   0.37403723  0.07893481  0.38166680
   0.14201069  0.39671031  0.11687946
   0.39844679  0.32449368  0.24741564
   0.09367122  0.14796444  0.47602572
   0.42818128  0.15472403  0.85646481
   0.12518462  0.40311967  0.62687698
   0.37439333  0.38171946  0.74798496
   0.13456064  0.66860971  0.01131918
   0.40126988  0.57422420  0.35275006
   0.07760649  0.90261623  0.14369014
   0.34948155  0.83829075  0.24832127
   0.18493925  0.64025584  0.49636556
   0.36563743  0.64652211  0.86283078
   0.06839631  0.90674733  0.60805206
   0.33668192  1.00231414  0.68663939
   0.64593553  0.15738821  1.00771550
   0.86094324  0.13937591  0.34560420
   0.62185663  0.43609536  0.11704932
   0.86439639  0.31363845  0.17089694
   0.64002485  0.17081910  0.50203996
   0.88791390  0.10858755  0.86780580
   0.60254542  0.45004833  0.61748370
   0.76536655  0.37035819  0.79936063
   0.60846952  0.67295316 -0.00707442
   0.91314980  0.58880191  0.38033064
   0.58695485  0.91133324  0.12833113
   0.82914713  0.85161548  0.25970187
   0.64215128  0.64519322  0.45259208
   0.87258322  0.60707912  0.88873829
   0.61269396  0.92021592  0.62312613
   0.83487004  0.84732647  0.75090136
   0.09347690  0.06406805  0.13123783
   0.40046807  0.16918626  0.28395638
   0.13823258  0.31793829  0.01731545
   0.34799922  0.42310682  0.34238424
   0.53472938  0.37994242  0.20329508
   0.28539486  0.37873537  0.17566751
   0.23032341  0.08464697  0.42698028
   0.00008386  0.18470062  0.38657622
   0.02349152  0.02600427  0.52701867
   0.47229452  0.25374636  0.77932536
   0.11096062  0.28159834  0.54027289
   0.33894473  0.48157160  0.83139932
   0.45939976  0.47157370  0.67840280
   0.22681938  0.32049711  0.70461689
   0.29545855  0.23097825 -0.10602723
   0.03342417  0.14910188  0.90845325
   0.11955262  0.55717366  0.09856967
   0.39467563  0.67808964  0.26340040
   0.10376869  0.81560220  0.04967130
   0.38940673  0.92004819  0.34657424
   0.43025756  0.90798355  0.15596182
   0.19081672  0.83605177  0.22194469
   0.32530650  0.64971005  0.43966551
   0.06486407  0.62842962  0.41920234
   0.20024458  0.52740862  0.57589301
   0.30525077  0.73709468  0.77155764
   0.13345011  0.78184663  0.55186069
   0.38228851  1.02167457  0.79307801
   0.45088027  0.90717311  0.63454270
   0.17780232  0.95893019  0.68810567
   0.27759822  0.67677301 -0.03988776
   0.01754258  0.64613581  0.92914358
   0.63562240  0.05355015  0.09931748
   0.82641224  0.19665468  0.24061068
   0.61064511  0.31437873  0.03202731
   0.91272051  0.43257109  0.33500635
   0.02698016  0.34301179  0.18362950
   0.76729263  0.44703421  0.16560811
   0.72677629  0.17611917  0.40356857
   0.49062203  0.13308855  0.45723124
   0.67175559  0.06383125  0.58071601
   0.81719437  0.21580454  0.78951584
   0.62174064  0.32497040  0.54443668
   0.87473285  0.45224171  0.85076659
   0.99525001  0.46154225  0.67095913
   0.72895035  0.42602191  0.68994514
   0.79335392  0.12767621  0.96199298
   0.53446526  0.10255156  0.93092237
   0.55860498  0.57184859  0.07126531
   0.85696642  0.70671246  0.30408582
   0.61919474  0.82259954  0.03518718
   0.86029784  0.96955650  0.33825364
   0.92145741  0.86471420  0.16585031
   0.66116090  0.86171480  0.22672991
   0.79727004  0.59860081  0.45850425
   0.56032374  0.56569490  0.37803353
   0.59512991  0.59179493  0.55711173
   0.82025844  0.69658393  0.79257610
   0.62354266  0.80918044  0.42519682
   0.87344996  0.96032323  0.82934157
   0.93327575  0.85425756  0.66584793
   0.67759467  0.92998075  0.73201756
   0.76350950  0.62647263  0.96560282
   0.51851224  0.66616105  0.89320977
   0.65639046  0.80303550  0.57565910
   0.59666151  0.81135958  0.35658221
   0.86286757  0.25214565  0.07289461
   0.99704040  0.39255674  0.31312707
   0.31688452  0.13975813  0.63172644
   0.25677445  0.82262157  0.79806126
   0.07555499  1.13758357  0.17157809
   0.23434039  1.05183439  0.00372243
   0.64698265  0.39944405  0.85227552
   0.90177128  0.41498160  0.66424941
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958297    0.170241   -0.147136
    -0.000000    9.829876    0.002395
    -0.000000    0.000000   13.999615
   Si   O    H 
    32    64    10
Direct configuration=  1587
   0.17096552  0.17767901 -0.04152041
   0.37445128  0.07798838  0.38117202
   0.14255019  0.39581924  0.11691462
   0.39859463  0.32439247  0.24814136
   0.09412901  0.14937515  0.47667897
   0.42943004  0.15467688  0.85648094
   0.12693913  0.40214037  0.62695979
   0.37404322  0.38253590  0.74838353
   0.13437081  0.66899774  0.01177448
   0.40061200  0.57502905  0.35227838
   0.07533916  0.90322383  0.14358949
   0.34813182  0.83879757  0.24919262
   0.18601567  0.64156724  0.49737823
   0.36497743  0.64637173  0.86211917
   0.06718939  0.90672072  0.60829216
   0.33718599  1.00192056  0.68711518
   0.64758420  0.15764393  1.00782879
   0.86011043  0.13934668  0.34572035
   0.62073825  0.43574443  0.11669505
   0.86447592  0.31500200  0.17214841
   0.64057142  0.16995829  0.50132562
   0.88700087  0.10855682  0.86876310
   0.60256839  0.44854457  0.61632166
   0.76605626  0.36937674  0.79905306
   0.60901685  0.67398207 -0.00736718
   0.91340163  0.58867863  0.38021171
   0.58767006  0.91118988  0.12944516
   0.83003970  0.85217630  0.25985412
   0.64143026  0.64429329  0.45306341
   0.87250200  0.60637808  0.88846785
   0.61352075  0.92042582  0.62393333
   0.83487697  0.84761061  0.75064613
   0.09339794  0.06381916  0.13095946
   0.40058460  0.16780128  0.28405696
   0.13808501  0.31839163  0.01765729
   0.35010045  0.42257624  0.34248357
   0.53511089  0.38243065  0.20275390
   0.28611100  0.37916019  0.17515887
   0.23101215  0.08406295  0.42743129
  -0.00018583  0.18733271  0.38750117
   0.02332542  0.02872600  0.52653332
   0.47254741  0.25590929  0.77897560
   0.10905659  0.28139905  0.54029371
   0.33747337  0.48155969  0.83148344
   0.45968642  0.47025412  0.67707741
   0.22668864  0.32127376  0.70616683
   0.29484503  0.23152358 -0.10518631
   0.03479718  0.14802816  0.90838633
   0.11845898  0.55824873  0.09969739
   0.39384529  0.67714305  0.26384631
   0.10363221  0.81463111  0.05066243
   0.38903724  0.92085177  0.34593585
   0.43048456  0.90823985  0.15536446
   0.19098476  0.83641169  0.22199742
   0.32478076  0.65041904  0.43960939
   0.06476898  0.62829855  0.41947774
   0.19892294  0.52639106  0.57605929
   0.30624836  0.73766259  0.77166247
   0.13367439  0.78100569  0.55187627
   0.38160305  1.02184162  0.79356379
   0.45011562  0.90614876  0.63347137
   0.17874566  0.95813579  0.68817093
   0.27691526  0.67680163 -0.04050118
   0.01634619  0.64685962  0.92918014
   0.63560624  0.05598419  0.09964306
   0.82617795  0.19624560  0.24001444
   0.61029521  0.31384221  0.03255636
   0.91194052  0.43360318  0.33663526
   0.02831900  0.34309501  0.18411950
   0.76740426  0.44805125  0.16525255
   0.72546860  0.17686429  0.40375025
   0.49197803  0.13086136  0.45643244
   0.66898807  0.06283347  0.58069027
   0.81724782  0.21504463  0.78886675
   0.62083020  0.32514589  0.54496434
   0.87473135  0.45217454  0.85046051
   0.99470703  0.46263200  0.67109908
   0.72881590  0.42663190  0.68991057
   0.79126804  0.12637609  0.96114227
   0.53576433  0.10285039  0.93139401
   0.55973979  0.57199428  0.07211684
   0.85711870  0.70675688  0.30403936
   0.61968763  0.82306288  0.03521296
   0.86071273  0.97183690  0.34010859
   0.91953264  0.86507444  0.16492621
   0.66115170  0.86340618  0.22719859
   0.79907008  0.59744421  0.45870647
   0.56097021  0.56466865  0.37762123
   0.59441682  0.59372778  0.55815059
   0.82090706  0.69526733  0.79254552
   0.62307440  0.80983980  0.42553906
   0.87349843  0.95973682  0.82983083
   0.93272554  0.85391374  0.66532090
   0.67591046  0.92927098  0.73249783
   0.76319678  0.62799765  0.96476987
   0.51790946  0.66559747  0.89448001
   0.66038524  0.79998749  0.57905401
   0.60339143  0.81170410  0.35518085
   0.85906926  0.24552872  0.07008940
   1.00072283  0.39633143  0.31631128
   0.31973968  0.13163041  0.63139886
   0.26544686  0.81375886  0.79817297
   0.07010290  1.13636106  0.17896232
   0.22802718  1.05488682  0.00443567
   0.63843309  0.40131054  0.85509071
   0.90832312  0.41210330  0.66362353
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957572    0.167375   -0.144749
    -0.000000    9.829906   -0.000768
    -0.000000    0.000000   13.999910
   Si   O    H 
    32    64    10
Direct configuration=  1588
   0.17214722  0.17677665 -0.04128604
   0.37561691  0.07745322  0.38066595
   0.14392666  0.39520623  0.11697363
   0.39842543  0.32485678  0.24934117
   0.09469801  0.15102533  0.47698197
   0.43055696  0.15382244  0.85672408
   0.12943466  0.40136940  0.62732599
   0.37407822  0.38334334  0.74876649
   0.13365882  0.66940308  0.01216249
   0.39983254  0.57594149  0.35205298
   0.07317319  0.90356805  0.14378498
   0.34684965  0.83893575  0.25021324
   0.18670846  0.64304333  0.49828348
   0.36423331  0.64577542  0.86193580
   0.06680336  0.90614052  0.60838439
   0.33772429  1.00187294  0.68733835
   0.64867384  0.15763014  1.00784361
   0.85899958  0.13926060  0.34571693
   0.61947071  0.43533099  0.11656285
   0.86441666  0.31640022  0.17308558
   0.64072932  0.16924376  0.50057208
   0.88635240  0.10859680  0.86976437
   0.60233504  0.44755013  0.61542169
   0.76660818  0.36805496  0.79879461
   0.61007163  0.67502972 -0.00748556
   0.91439880  0.58878010  0.38019198
   0.58801047  0.91063324  0.13056545
   0.83106907  0.85276891  0.26066208
   0.64075726  0.64430784  0.45352169
   0.87248123  0.60555823  0.88757522
   0.61418861  0.92064248  0.62446698
   0.83473770  0.84767389  0.75096783
   0.09317146  0.06465417  0.13101343
   0.40171233  0.16687390  0.28400353
   0.13772142  0.31932808  0.01839105
   0.35214437  0.42162509  0.34300389
   0.53569251  0.38440278  0.20267216
   0.28684617  0.37910645  0.17418252
   0.23191794  0.08413578  0.42809925
  -0.00097330  0.18974735  0.38797447
   0.02281182  0.03043585  0.52684654
   0.47360628  0.25799233  0.77835061
   0.10816183  0.28125335  0.54038906
   0.33655859  0.48236897  0.83181272
   0.46019804  0.46914181  0.67495219
   0.22646337  0.32313585  0.70770306
   0.29400558  0.23166466 -0.10463606
   0.03589953  0.14590200  0.90761491
   0.11852509  0.55914400  0.10030672
   0.39309242  0.67678488  0.26444357
   0.10351719  0.81494968  0.05158201
   0.38856929  0.92162729  0.34548052
   0.43070998  0.90776308  0.15522349
   0.19061148  0.83722424  0.22203184
   0.32332801  0.65174879  0.44003557
   0.06524117  0.62770335  0.41880244
   0.19811806  0.52527016  0.57631164
   0.30691888  0.73726524  0.77161570
   0.13428195  0.77996211  0.55132535
   0.38097594  1.02215686  0.79415877
   0.44979705  0.90462038  0.63215667
   0.17939281  0.95741714  0.68803800
   0.27623468  0.67686116 -0.04102187
   0.01612993  0.64694978  0.92918594
   0.63592556  0.05781921  0.09964660
   0.82535911  0.19555770  0.23964108
   0.61041055  0.31393595  0.03260121
   0.91149601  0.43402226  0.33867270
   0.02978129  0.34248900  0.18444308
   0.76793515  0.44930206  0.16541949
   0.72505425  0.17806586  0.40418673
   0.49289562  0.12901281  0.45589757
   0.66702933  0.06169666  0.58134084
   0.81786691  0.21381040  0.78853050
   0.61969928  0.32556951  0.54514478
   0.87501789  0.45306590  0.85046451
   0.99378564  0.46413198  0.67139430
   0.72834197  0.42696404  0.69088154
   0.78973122  0.12551344  0.96047976
   0.53738041  0.10261107  0.93244105
   0.56044430  0.57167766  0.07342049
   0.85741132  0.70647695  0.30449906
   0.61993286  0.82347383  0.03583087
   0.86185914  0.97316002  0.34185185
   0.91763143  0.86598822  0.16388383
   0.66192725  0.86460209  0.22852977
   0.80036843  0.59653106  0.45853330
   0.56061651  0.56290599  0.37700080
   0.59356020  0.59621541  0.55871894
   0.82222034  0.69480768  0.79242113
   0.62202043  0.81083041  0.42636067
   0.87396551  0.95917547  0.83028807
   0.93233112  0.85481989  0.66498153
   0.67507087  0.92826133  0.73328371
   0.76238532  0.62879671  0.96512094
   0.51751827  0.66645996  0.89554181
   0.66552055  0.79307995  0.58240447
   0.61044202  0.81275822  0.35465003
   0.85616053  0.24075765  0.07004513
   1.00176070  0.40220251  0.31920719
   0.32496277  0.12436169  0.63145659
   0.26494973  0.81623109  0.80089548
   0.06383438  1.12836639  0.18334910
   0.22291917  1.05793961  0.00342194
   0.63209686  0.40026569  0.85686043
   0.91620686  0.41512036  0.66209670
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957204    0.165340   -0.142682
    -0.000000    9.830097   -0.004384
    -0.000000    0.000000   14.000730
   Si   O    H 
    32    64    10
Direct configuration=  1589
   0.17323526  0.17592311 -0.04129528
   0.37705202  0.07727399  0.38044876
   0.14564907  0.39470102  0.11711679
   0.39811515  0.32518720  0.25089583
   0.09522025  0.15231250  0.47657933
   0.43057814  0.15306968  0.85705263
   0.13213949  0.40032559  0.62756239
   0.37380265  0.38365474  0.74853435
   0.13368166  0.66987932  0.01243971
   0.39926454  0.57664857  0.35231764
   0.07126698  0.90417835  0.14390682
   0.34570663  0.83928903  0.25075964
   0.18649255  0.64473268  0.49896661
   0.36330489  0.64480871  0.86139571
   0.06647633  0.90572520  0.60823286
   0.33802884  1.00147184  0.68775157
   0.64924738  0.15754981  1.00807618
   0.85756026  0.13937064  0.34588000
   0.61838940  0.43504170  0.11625123
   0.86475874  0.31790576  0.17393746
   0.64036678  0.16904599  0.49989613
   0.88612486  0.10891035  0.87036635
   0.60246447  0.44735760  0.61484518
   0.76651682  0.36678705  0.79841076
   0.61128418  0.67626355 -0.00747024
   0.91537225  0.58905431  0.38017664
   0.58795366  0.90981648  0.13173491
   0.83133786  0.85469023  0.26135572
   0.64033052  0.64473672  0.45378994
   0.87224598  0.60572783  0.88664931
   0.61450902  0.92084924  0.62484953
   0.83440535  0.84757068  0.75123760
   0.09321614  0.06508520  0.13152277
   0.40304936  0.16509842  0.28340614
   0.13797855  0.31975407  0.01874603
   0.35457878  0.42077186  0.34324739
   0.53607664  0.38538418  0.20262036
   0.28688448  0.37907590  0.17269742
   0.23314978  0.08401892  0.42895782
  -0.00148657  0.19120238  0.38854160
   0.02294555  0.03067474  0.52754678
   0.47469086  0.26027268  0.77805156
   0.10762899  0.28180260  0.54132646
   0.33515853  0.48346553  0.83263584
   0.46049674  0.46778419  0.67293110
   0.22743001  0.32564936  0.70877561
   0.29377182  0.23168794 -0.10403226
   0.03639458  0.14440136  0.90665838
   0.11897559  0.55991044  0.10027119
   0.39247679  0.67724649  0.26429394
   0.10299157  0.81621170  0.05208394
   0.38750573  0.92197475  0.34463567
   0.43067945  0.90681686  0.15538347
   0.19003413  0.83878414  0.22183952
   0.32184859  0.65272859  0.44020083
   0.06525008  0.62699561  0.41819985
   0.19790782  0.52420752  0.57657134
   0.30686198  0.73617651  0.77166597
   0.13574783  0.78005800  0.55034184
   0.38053997  1.02225990  0.79440789
   0.44936050  0.90305164  0.63058998
   0.17928815  0.95735325  0.68841096
   0.27673265  0.67743304 -0.04147427
   0.01586102  0.64679058  0.92903359
   0.63652150  0.05966480  0.09985356
   0.82424344  0.19507015  0.23926154
   0.60996955  0.31391027  0.03244765
   0.91161480  0.43333293  0.34058680
   0.03049178  0.34238751  0.18522795
   0.76889944  0.45050579  0.16609195
   0.72457229  0.17900441  0.40447874
   0.49392089  0.12743079  0.45563999
   0.66570351  0.06139718  0.58290093
   0.81867498  0.21270429  0.78841700
   0.61889919  0.32526690  0.54513834
   0.87566262  0.45331577  0.85022192
   0.99406997  0.46547375  0.67206656
   0.72806240  0.42710994  0.69176485
   0.78825274  0.12457854  0.95923709
   0.53889097  0.10219351  0.93364080
   0.56122591  0.57221219  0.07454479
   0.85805992  0.70599323  0.30493103
   0.61995648  0.82436520  0.03681725
   0.86255066  0.97362810  0.34324304
   0.91595284  0.86705846  0.16344346
   0.66263117  0.86582758  0.22998023
   0.80163132  0.59538567  0.45794271
   0.56028991  0.56024302  0.37648581
   0.59269932  0.59789873  0.55933282
   0.82413256  0.69438093  0.79236794
   0.62092115  0.81128921  0.42715579
   0.87560834  0.95888251  0.83089975
   0.93194087  0.85565091  0.66390208
   0.67425707  0.92577599  0.73392155
   0.76099198  0.62945253  0.96556651
   0.51698264  0.66827302  0.89692165
   0.67374495  0.78808362  0.58650142
   0.61643655  0.81282843  0.35529635
   0.85363762  0.24225094  0.07496716
   1.00128793  0.40510841  0.32279076
   0.33060623  0.11995338  0.62995646
   0.26238627  0.82207344  0.80346792
   0.05979368  1.12276089  0.18603422
   0.22236268  1.05781958  0.00070891
   0.63007394  0.39932131  0.85661372
   0.90977039  0.41530070  0.65986178
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956928    0.162981   -0.140583
    -0.000000    9.830724   -0.008164
    -0.000000    0.000000   14.001678
   Si   O    H 
    32    64    10
Direct configuration=  1590
   0.17428892  0.17571833 -0.04075027
   0.37875638  0.07757771  0.38030973
   0.14737154  0.39451804  0.11751971
   0.39756402  0.32557994  0.25244660
   0.09484192  0.15281081  0.47574351
   0.42990923  0.15239247  0.85691046
   0.13448977  0.39877529  0.62747623
   0.37284407  0.38342634  0.74845080
   0.13406889  0.67025631  0.01242150
   0.39821207  0.57755404  0.35272175
   0.06944973  0.90463204  0.14436189
   0.34511283  0.83946279  0.25127014
   0.18637303  0.64618623  0.49975035
   0.36261888  0.64378349  0.86094123
   0.06694152  0.90599839  0.60799080
   0.33812649  1.00111679  0.68770866
   0.65000391  0.15751936  1.00915599
   0.85655579  0.13894275  0.34560867
   0.61739904  0.43420963  0.11620679
   0.86534902  0.31818633  0.17461333
   0.63935946  0.16854748  0.49940824
   0.88615536  0.10906118  0.87099776
   0.60271437  0.44769369  0.61451130
   0.76570821  0.36567348  0.79804478
   0.61266483  0.67769489 -0.00718397
   0.91611204  0.58976827  0.38066207
   0.58827280  0.90968482  0.13288037
   0.83163014  0.85634650  0.26193581
   0.64061764  0.64585704  0.45418650
   0.87202884  0.60629733  0.88561038
   0.61476455  0.92080749  0.62503999
   0.83340974  0.84806651  0.75154534
   0.09387700  0.06594794  0.13208357
   0.40449235  0.16425943  0.28248664
   0.13863642  0.31966917  0.01864739
   0.35636935  0.42080506  0.34419407
   0.53592729  0.38492763  0.20246663
   0.28687738  0.37922050  0.17143072
   0.23366621  0.08468648  0.42994655
  -0.00153625  0.19204606  0.38833551
   0.02338660  0.03035200  0.52864720
   0.47540925  0.26244288  0.77823908
   0.10747010  0.28261066  0.54220378
   0.33441707  0.48486829  0.83358839
   0.46129483  0.46727395  0.67111510
   0.22863150  0.32825829  0.70931088
   0.29386140  0.23240875 -0.10354121
   0.03644215  0.14352227  0.90628665
   0.11900454  0.56053850  0.10022552
   0.39206051  0.67792277  0.26397413
   0.10265085  0.81796905  0.05249983
   0.38573340  0.92241539  0.34340545
   0.42967957  0.90549117  0.15540295
   0.18840802  0.84107582  0.22218114
   0.32100097  0.65323977  0.44055257
   0.06415773  0.62581520  0.41726325
   0.19800650  0.52427009  0.57689049
   0.30634022  0.73519850  0.77172214
   0.13615051  0.78029615  0.54950152
   0.38086388  1.02252370  0.79505915
   0.44886585  0.90210087  0.62896310
   0.18002621  0.95679694  0.68945479
   0.27716903  0.67838145 -0.04188980
   0.01591408  0.64611577  0.92853038
   0.63711392  0.06231322  0.10029345
   0.82336737  0.19423297  0.23946821
   0.60916296  0.31412898  0.03204628
   0.91194125  0.43273710  0.34205232
   0.02974616  0.34207064  0.18587411
   0.76989193  0.45217508  0.16617477
   0.72462209  0.17976161  0.40508969
   0.49438367  0.12596811  0.45525942
   0.66405148  0.06130533  0.58424000
   0.81901782  0.21197850  0.78850617
   0.61798934  0.32433031  0.54456083
   0.87722158  0.45283318  0.84973235
   0.99436512  0.46598497  0.67271330
   0.72769847  0.42706346  0.69214240
   0.78747232  0.12411694  0.95799568
   0.53866972  0.10158757  0.93449795
   0.56217791  0.57317642  0.07550816
   0.85781462  0.70539125  0.30501083
   0.62049563  0.82607232  0.03824909
   0.86266555  0.97327765  0.34409251
   0.91405325  0.86858687  0.16344440
   0.66407653  0.86631839  0.23134551
   0.80153026  0.59448465  0.45777813
   0.55982324  0.55797228  0.37600010
   0.59171966  0.59954798  0.55974892
   0.82643281  0.69398824  0.79189022
   0.61962413  0.81081451  0.42802057
   0.87798554  0.95871122  0.83151357
   0.93202908  0.85591846  0.66306834
   0.67478038  0.92324697  0.73466102
   0.75903916  0.62969852  0.96621962
   0.51695860  0.66997600  0.89802052
   0.67714546  0.79003366  0.59108904
   0.62260619  0.81624123  0.35686089
   0.84916546  0.24713544  0.08171873
   1.00226026  0.40587799  0.32385442
   0.33567775  0.12111008  0.62622060
   0.26365478  0.82209080  0.80267218
   0.05931626  1.11434455  0.18583173
   0.22562092  1.05751874  0.00029232
   0.63401503  0.39447751  0.85647231
   0.90514188  0.41950637  0.65641506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956515    0.160711   -0.138277
    -0.000000    9.830987   -0.012228
    -0.000000    0.000000   14.002286
   Si   O    H 
    32    64    10
Direct configuration=  1591
   0.17572356  0.17604926 -0.04055212
   0.37996357  0.07753002  0.38022135
   0.14814705  0.39430816  0.11794565
   0.39685815  0.32580825  0.25375694
   0.09435825  0.15310624  0.47477344
   0.42840505  0.15252348  0.85724309
   0.13655901  0.39738239  0.62787163
   0.37175474  0.38320879  0.74830762
   0.13398519  0.67014489  0.01222890
   0.39785985  0.57803955  0.35273798
   0.06801997  0.90496507  0.14511872
   0.34438766  0.83929367  0.25127032
   0.18616615  0.64817236  0.50048910
   0.36160273  0.64286555  0.86054352
   0.06747378  0.90614469  0.60810302
   0.33798661  1.00085355  0.68693868
   0.65123553  0.15683807  1.01011268
   0.85588743  0.13874424  0.34554021
   0.61681582  0.43307495  0.11622923
   0.86646361  0.31791722  0.17468561
   0.63771485  0.16795824  0.49907375
   0.88622968  0.10951022  0.87168065
   0.60285325  0.44801031  0.61423527
   0.76433811  0.36446921  0.79752154
   0.61345186  0.67851102 -0.00701595
   0.91672448  0.59065760  0.38134753
   0.58838833  0.90991881  0.13403492
   0.83210068  0.85746260  0.26275394
   0.64091800  0.64627836  0.45458793
   0.87217512  0.60708516  0.88425007
   0.61511098  0.92085555  0.62488821
   0.83187366  0.84840803  0.75238869
   0.09468182  0.06700747  0.13256451
   0.40558704  0.16439887  0.28157310
   0.13935750  0.31867884  0.01868406
   0.35839306  0.42056378  0.34439838
   0.53563369  0.38391643  0.20306705
   0.28664617  0.37878062  0.17036827
   0.23400024  0.08609383  0.43064268
  -0.00153749  0.19269245  0.38806195
   0.02382638  0.03039069  0.53026891
   0.47669130  0.26421805  0.77820658
   0.10692685  0.28398710  0.54358638
   0.33459666  0.48643919  0.83431448
   0.46184671  0.46688851  0.66997500
   0.23041898  0.33149330  0.70942473
   0.29331865  0.23381947 -0.10355705
   0.03581422  0.14299078  0.90570581
   0.11870856  0.56071190  0.10033951
   0.39139126  0.67872637  0.26287267
   0.10146303  0.81979857  0.05249513
   0.38386655  0.92310868  0.34259459
   0.42856451  0.90452142  0.15589521
   0.18682760  0.84367015  0.22198476
   0.32106259  0.65400781  0.44098920
   0.06397747  0.62519989  0.41652771
   0.19838765  0.52511767  0.57704005
   0.30568778  0.73495007  0.77170251
   0.13702424  0.78068547  0.54904339
   0.38119200  1.02334579  0.79583963
   0.44837115  0.90203710  0.62815667
   0.17954380  0.95605843  0.68989557
   0.27716761  0.67922599 -0.04254745
   0.01618540  0.64600518  0.92854860
   0.63769643  0.06424342  0.10107741
   0.82233399  0.19312743  0.23943703
   0.60917025  0.31455455  0.03137873
   0.91184365  0.43243699  0.34302840
   0.02892029  0.34140235  0.18664906
   0.77098546  0.45490529  0.16596110
   0.72475377  0.17972367  0.40574979
   0.49347712  0.12507781  0.45502096
   0.66258025  0.06152819  0.58517711
   0.82018271  0.21119124  0.78847197
   0.61693471  0.32192634  0.54389287
   0.87863483  0.45200593  0.84913211
   0.99342145  0.46558443  0.67312405
   0.72753208  0.42684987  0.69273209
   0.78737046  0.12366542  0.95704223
   0.53819554  0.10069648  0.93512673
   0.56275549  0.57411403  0.07580583
   0.85661180  0.70532190  0.30525744
   0.62100502  0.82703201  0.03899678
   0.86252042  0.97287470  0.34468827
   0.91361033  0.87022312  0.16386232
   0.66572898  0.86680812  0.23240264
   0.80142493  0.59335798  0.45837894
   0.55975965  0.55618593  0.37588615
   0.59160688  0.60051784  0.56044246
   0.82889620  0.69381061  0.79159987
   0.61948817  0.80981211  0.42866018
   0.88003425  0.95861760  0.83204630
   0.93225871  0.85650591  0.66221328
   0.67537494  0.92123060  0.73512371
   0.75769993  0.63139806  0.96683698
   0.51746635  0.67124244  0.89978898
   0.68057718  0.79521470  0.59456484
   0.62860951  0.82343793  0.35788345
   0.84617474  0.25220432  0.08697762
   1.00349040  0.40521630  0.32412275
   0.33917459  0.12296463  0.62415425
   0.26707006  0.81593448  0.80195554
   0.05773954  1.11242863  0.18486190
   0.22956700  1.05214914  0.00356742
   0.64053621  0.38880984  0.85532577
   0.90688229  0.42674159  0.65503628
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956048    0.158511   -0.136376
    -0.000000    9.831449   -0.016598
    -0.000000    0.000000   14.002929
   Si   O    H 
    32    64    10
Direct configuration=  1592
   0.17669458  0.17725238 -0.03985732
   0.38064762  0.07769272  0.37991757
   0.14923334  0.39479261  0.11791463
   0.39627617  0.32596384  0.25503681
   0.09415068  0.15345145  0.47367422
   0.42711285  0.15253641  0.85791740
   0.13826472  0.39679785  0.62856472
   0.37110552  0.38381267  0.74817163
   0.13404792  0.67010234  0.01180188
   0.39764331  0.57835267  0.35311906
   0.06705168  0.90489162  0.14560359
   0.34386094  0.83954161  0.25082246
   0.18540219  0.64944332  0.50093152
   0.36085127  0.64166050  0.86037266
   0.06769567  0.90695653  0.60809124
   0.33714773  1.00012463  0.68613254
   0.65262957  0.15570485  1.01084220
   0.85514060  0.13872819  0.34549030
   0.61720704  0.43159370  0.11590940
   0.86757303  0.31765370  0.17488135
   0.63652654  0.16785836  0.49852971
   0.88655090  0.10954018  0.87214474
   0.60292969  0.44859171  0.61402467
   0.76297154  0.36303663  0.79722091
   0.61367804  0.67902717 -0.00669252
   0.91757369  0.59195962  0.38201037
   0.58854712  0.91101216  0.13508610
   0.83201667  0.85824824  0.26390492
   0.64179488  0.64684061  0.45498839
   0.87290451  0.60766235  0.88290763
   0.61469069  0.92070063  0.62477302
   0.83111610  0.84922973  0.75310710
   0.09580759  0.06759176  0.13288016
   0.40544613  0.16512038  0.28100165
   0.14046662  0.31751956  0.01917489
   0.35991742  0.42042211  0.34473529
   0.53535522  0.38383054  0.20471542
   0.28673263  0.37735491  0.16971154
   0.23364096  0.08766213  0.43163600
  -0.00175720  0.19341535  0.38727273
   0.02410965  0.02965351  0.53205018
   0.47760456  0.26586447  0.77872784
   0.10638192  0.28526209  0.54549443
   0.33450049  0.48679225  0.83544134
   0.46273262  0.46636824  0.66926422
   0.23091355  0.33427720  0.71012444
   0.29272248  0.23488495 -0.10452988
   0.03475059  0.14255793  0.90520906
   0.11891840  0.56109614  0.10078078
   0.39104998  0.67960196  0.26165678
   0.10041970  0.82080762  0.05186375
   0.38253337  0.92439341  0.34248685
   0.42803569  0.90303478  0.15701372
   0.18594050  0.84646561  0.22120010
   0.32111355  0.65486784  0.44099514
   0.06403369  0.62494938  0.41525101
   0.19924549  0.52570500  0.57721413
   0.30505365  0.73426466  0.77170048
   0.13786551  0.78156829  0.54915897
   0.38154757  1.02371518  0.79661881
   0.44853523  0.90263028  0.62789511
   0.17854377  0.95584703  0.69021093
   0.27582584  0.67933932 -0.04358060
   0.01634907  0.64705129  0.92848669
   0.63839926  0.06550807  0.10162900
   0.82131715  0.19278414  0.23954821
   0.60899473  0.31479653  0.03091629
   0.91155520  0.43255682  0.34322145
   0.02741526  0.34106315  0.18750445
   0.77192722  0.45697570  0.16569663
   0.72580459  0.18033997  0.40640453
   0.49218156  0.12444538  0.45494917
   0.66219765  0.06294956  0.58642810
   0.82077552  0.20949694  0.78819738
   0.61581265  0.31965105  0.54326647
   0.87957047  0.45030390  0.84844958
   0.99312372  0.46505663  0.67307554
   0.72718936  0.42658088  0.69289041
   0.78741690  0.12312917  0.95627781
   0.53708967  0.10049176  0.93558392
   0.56337446  0.57553430  0.07626037
   0.85597072  0.70459713  0.30511752
   0.62118181  0.82759434  0.03919960
   0.86274276  0.97187355  0.34533966
   0.91322231  0.87184768  0.16432481
   0.66811888  0.86713205  0.23344652
   0.80118961  0.59313472  0.45888785
   0.55976071  0.55447241  0.37565326
   0.59144195  0.60058492  0.56089804
   0.83133068  0.69460546  0.79100952
   0.61946283  0.80889246  0.42935849
   0.88143234  0.95773961  0.83241869
   0.93288672  0.85681771  0.66151042
   0.67586798  0.91801286  0.73545913
   0.75744703  0.63349714  0.96744353
   0.51718494  0.67260052  0.90101492
   0.68410145  0.80142140  0.59707913
   0.63270735  0.82895800  0.36428558
   0.84406187  0.25515691  0.08875185
   1.00233358  0.40188646  0.32404077
   0.34081808  0.12654131  0.62490147
   0.26772331  0.81033547  0.80188981
   0.05190585  1.11889276  0.18892293
   0.23526676  1.04683604  0.00517512
   0.64765844  0.38533982  0.85485306
   0.90570178  0.43517588  0.65179285
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955846    0.156788   -0.134686
    -0.000000    9.831735   -0.020431
    -0.000000    0.000000   14.003498
   Si   O    H 
    32    64    10
Direct configuration=  1593
   0.17741424  0.17834819 -0.03959618
   0.38112864  0.07836812  0.37962810
   0.14950059  0.39571210  0.11809687
   0.39663575  0.32633459  0.25619452
   0.09401259  0.15391080  0.47261133
   0.42603635  0.15308634  0.85838994
   0.13858368  0.39635882  0.62904011
   0.37056103  0.38487127  0.74788738
   0.13293501  0.67044429  0.01151724
   0.39785421  0.57920558  0.35350549
   0.06634661  0.90501921  0.14585544
   0.34321224  0.84008035  0.24976239
   0.18486300  0.64972084  0.50134658
   0.36026083  0.64012477  0.86005774
   0.06841124  0.90754541  0.60773517
   0.33600645  0.99911129  0.68545996
   0.65343169  0.15521457  1.01122613
   0.85459634  0.13873589  0.34543936
   0.61807639  0.43007107  0.11586327
   0.86882050  0.31776933  0.17525246
   0.63559005  0.16760193  0.49782466
   0.88747629  0.10960294  0.87226637
   0.60313620  0.44940161  0.61416999
   0.76176028  0.36168799  0.79703068
   0.61360651  0.67888616 -0.00580471
   0.91775827  0.59363942  0.38208128
   0.58773117  0.91243977  0.13609892
   0.83203207  0.85910273  0.26487566
   0.64254878  0.64691794  0.45544063
   0.87263280  0.60768805  0.88217287
   0.61347482  0.92025915  0.62451188
   0.83043378  0.85036268  0.75340786
   0.09564401  0.06763341  0.13336638
   0.40549839  0.16630528  0.28064640
   0.14123630  0.31657496  0.01949298
   0.36088031  0.42068232  0.34491119
   0.53429302  0.38339576  0.20687545
   0.28745929  0.37539084  0.16943282
   0.23295629  0.08890007  0.43261886
  -0.00231404  0.19449516  0.38624691
   0.02455509  0.02822922  0.53397481
   0.47819101  0.26756685  0.78016545
   0.10654254  0.28667468  0.54681315
   0.33420115  0.48726944  0.83690044
   0.46284679  0.46569874  0.66817782
   0.23169660  0.33609063  0.71126673
   0.29264147  0.23552327 -0.10530027
   0.03382724  0.14242599  0.90487937
   0.11893453  0.56132339  0.10068654
   0.38951883  0.68118295  0.26076317
   0.09954204  0.82159952  0.05099866
   0.38162519  0.92473408  0.34254645
   0.42703480  0.90164944  0.15741255
   0.18489998  0.84924441  0.22012060
   0.32162078  0.65585398  0.44075183
   0.06455084  0.62410056  0.41429771
   0.20045637  0.52570074  0.57767909
   0.30528861  0.73302612  0.77159531
   0.13747335  0.78233050  0.54915999
   0.38146500  1.02441478  0.79733916
   0.44865221  0.90286705  0.62746467
   0.17751873  0.95543766  0.68971347
   0.27471972  0.67952402 -0.04452658
   0.01644551  0.64831357  0.92857438
   0.63895473  0.06554858  0.10259767
   0.82016742  0.19193429  0.23916355
   0.60888800  0.31532569  0.03102585
   0.91134264  0.43240634  0.34345784
   0.02703837  0.34131025  0.18808673
   0.77273986  0.45844830  0.16493373
   0.72732709  0.18102493  0.40708498
   0.49194530  0.12376778  0.45473961
   0.66107394  0.06461220  0.58712248
   0.82188376  0.20784475  0.78813907
   0.61532476  0.31741237  0.54293879
   0.87977624  0.44887164  0.84829549
   0.99293136  0.46429727  0.67274577
   0.72716084  0.42668965  0.69306448
   0.78739588  0.12322601  0.95615490
   0.53606513  0.10031491  0.93556846
   0.56376745  0.57732593  0.07639489
   0.85494962  0.70467839  0.30555283
   0.62086138  0.82841982  0.03953376
   0.86349631  0.97076538  0.34595034
   0.91293919  0.87328093  0.16543198
   0.67030900  0.86749847  0.23420104
   0.80061031  0.59302436  0.45954032
   0.55907089  0.55288387  0.37607229
   0.59202805  0.60029350  0.56109691
   0.83324406  0.69549316  0.79006040
   0.61951413  0.80864924  0.43033040
   0.88175649  0.95645945  0.83172340
   0.93364675  0.85686853  0.66061393
   0.67707244  0.91448538  0.73587049
   0.75717219  0.63527576  0.96788158
   0.51672797  0.67371107  0.90234997
   0.68690957  0.80838477  0.59392292
   0.63636424  0.83999512  0.36408811
   0.84471121  0.25212751  0.08501612
   0.99866347  0.40188410  0.32424381
   0.34393369  0.12849744  0.62981217
   0.26232977  0.81385164  0.80538637
   0.04855315  1.12389934  0.18646766
   0.24320380  1.04556560  0.00281837
   0.65495559  0.38561054  0.85673770
   0.90335557  0.44138199  0.65024093
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955654    0.154446   -0.133319
    -0.000000    9.831954   -0.024372
    -0.000000    0.000000   14.003962
   Si   O    H 
    32    64    10
Direct configuration=  1594
   0.17762086  0.17959298 -0.03925386
   0.38109579  0.07880971  0.37959255
   0.14959203  0.39641792  0.11834680
   0.39737794  0.32768162  0.25646064
   0.09447227  0.15514868  0.47192719
   0.42556622  0.15365353  0.85872684
   0.13848599  0.39691679  0.62931430
   0.37049641  0.38600496  0.74787362
   0.13207379  0.67023679  0.01114982
   0.39848192  0.57977889  0.35395316
   0.06609724  0.90469787  0.14572408
   0.34264075  0.84096706  0.24875019
   0.18401515  0.64964001  0.50158624
   0.36064202  0.63866597  0.86006775
   0.06955234  0.90740396  0.60770828
   0.33498338  0.99845078  0.68467916
   0.65469006  0.15510238  1.01162445
   0.85422834  0.13861589  0.34563843
   0.61891234  0.42865064  0.11583389
   0.86928610  0.31771666  0.17537030
   0.63355886  0.16766358  0.49717935
   0.88819156  0.10905108  0.87215992
   0.60337120  0.45079150  0.61449330
   0.76111064  0.35973531  0.79663982
   0.61312974  0.67899642 -0.00488577
   0.91811932  0.59540605  0.38171175
   0.58713953  0.91349894  0.13693853
   0.83169897  0.85974186  0.26588669
   0.64270348  0.64688727  0.45612990
   0.87229971  0.60758091  0.88118907
   0.61172762  0.91982832  0.62423956
   0.82958708  0.85215931  0.75373487
   0.09549776  0.06784958  0.13410809
   0.40490889  0.16789535  0.27993986
   0.14213750  0.31552016  0.01957595
   0.36243706  0.42090270  0.34510239
   0.53294614  0.38358128  0.20932807
   0.28856439  0.37313342  0.16930267
   0.23334424  0.08994848  0.43319318
  -0.00228060  0.19501376  0.38516061
   0.02478810  0.02740206  0.53576316
   0.47873817  0.26956887  0.78165224
   0.10605230  0.28707198  0.54753968
   0.33303061  0.48749905  0.83838120
   0.46238513  0.46503061  0.66712459
   0.23154369  0.33711259  0.71251454
   0.29300760  0.23619419 -0.10653558
   0.03328156  0.14283158  0.90495830
   0.11934683  0.56232134  0.10082254
   0.38813282  0.68215912  0.26016375
   0.09947075  0.82261991  0.05003922
   0.38076928  0.92495097  0.34267974
   0.42559177  0.90054711  0.15713600
   0.18379046  0.85197082  0.21938067
   0.32198080  0.65722765  0.44084451
   0.06618760  0.62367829  0.41363565
   0.20125902  0.52519271  0.57790437
   0.30542168  0.73217702  0.77160781
   0.13598465  0.78334455  0.54972646
   0.38131038  1.02413788  0.79800463
   0.44928560  0.90321882  0.62736655
   0.17719301  0.95478699  0.68939502
   0.27426930  0.67997797 -0.04513074
   0.01752934  0.65009926  0.92865078
   0.63990249  0.06575743  0.10393736
   0.81927567  0.19160180  0.23906215
   0.60851879  0.31555416  0.03111558
   0.91162477  0.43193263  0.34372999
   0.02700887  0.34147606  0.18839960
   0.77287536  0.45969190  0.16380340
   0.72946501  0.18119629  0.40751405
   0.49195357  0.12277156  0.45409163
   0.66171854  0.06598516  0.58732219
   0.82253493  0.20596868  0.78789067
   0.61451927  0.31563838  0.54296517
   0.87920262  0.44836444  0.84866970
   0.99334406  0.46409555  0.67216816
   0.72723488  0.42674492  0.69257298
   0.78861064  0.12371775  0.95583469
   0.53406965  0.10049336  0.93540265
   0.56454093  0.57798399  0.07656166
   0.85446428  0.70525382  0.30614013
   0.62065386  0.82982934  0.03986152
   0.86382523  0.97011205  0.34675975
   0.91260780  0.87476967  0.16702608
   0.67307036  0.86889178  0.23500685
   0.79999657  0.59202174  0.46011781
   0.55908852  0.55260656  0.37640502
   0.59264161  0.59997944  0.56103244
   0.83547735  0.69674930  0.78892253
   0.62051304  0.80835674  0.43128926
   0.88215438  0.95537878  0.83126914
   0.93451144  0.85616314  0.65986988
   0.67827340  0.91196721  0.73555073
   0.75765821  0.63644270  0.96794935
   0.51541930  0.67525122  0.90273945
   0.69039805  0.80981669  0.58809886
   0.63634592  0.84994243  0.36637586
   0.84352976  0.24693697  0.07907843
   1.00071120  0.40090377  0.32347371
   0.34385160  0.12943444  0.63524403
   0.25898999  0.81449426  0.80830373
   0.05197762  1.12299669  0.17878156
   0.24810071  1.04770908 -0.00285424
   0.65556954  0.38433826  0.86410848
   0.90204732  0.44534454  0.65070154
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955441    0.152391   -0.132891
    -0.000000    9.832145   -0.028497
    -0.000000    0.000000   14.004679
   Si   O    H 
    32    64    10
Direct configuration=  1595
   0.17770565  0.18067890 -0.03878094
   0.38077956  0.07910805  0.37950118
   0.14951849  0.39693276  0.11831925
   0.39792216  0.32871285  0.25600405
   0.09421794  0.15625275  0.47147035
   0.42547320  0.15453071  0.85907528
   0.13772401  0.39759991  0.62919392
   0.37116168  0.38763305  0.74796901
   0.13123265  0.67050659  0.01072256
   0.39911379  0.58054943  0.35441369
   0.06643438  0.90470122  0.14565201
   0.34262504  0.84138975  0.24792030
   0.18305523  0.64961582  0.50204173
   0.36111147  0.63766766  0.86001767
   0.07029854  0.90772684  0.60731695
   0.33383488  0.99794392  0.68382085
   0.65534605  0.15451411  1.01187927
   0.85357994  0.13866043  0.34574903
   0.62004914  0.42836302  0.11602435
   0.86887492  0.31735563  0.17509879
   0.63132851  0.16769870  0.49662730
   0.88837192  0.10831077  0.87202936
   0.60330932  0.45161838  0.61432666
   0.76083579  0.35796611  0.79674963
   0.61283493  0.67922850 -0.00453123
   0.91859656  0.59637587  0.38165448
   0.58634280  0.91472535  0.13769170
   0.83085833  0.86003867  0.26662274
   0.64222483  0.64657183  0.45700199
   0.87213845  0.60772619  0.88088979
   0.60994681  0.91976313  0.62417648
   0.82881678  0.85391942  0.75439905
   0.09516655  0.06754527  0.13428488
   0.40571711  0.16991115  0.27941416
   0.14315239  0.31449515  0.01975679
   0.36352184  0.42184022  0.34519927
   0.53242238  0.38272397  0.21081466
   0.29066973  0.37145488  0.16930516
   0.23375248  0.09106511  0.43336999
  -0.00207973  0.19532794  0.38387289
   0.02429735  0.02749638  0.53684890
   0.47925005  0.27147073  0.78330120
   0.10583500  0.28617997  0.54782783
   0.33158670  0.48758892  0.83970777
   0.46076228  0.46442737  0.66585739
   0.23146799  0.33782507  0.71322794
   0.29376557  0.23711015 -0.10748470
   0.03378860  0.14430078  0.90545759
   0.11969668  0.56357233  0.10148473
   0.38691269  0.68231123  0.26016008
   0.09823227  0.82345756  0.04912323
   0.37988165  0.92495202  0.34315540
   0.42471083  0.90009906  0.15645917
   0.18272384  0.85429530  0.21884887
   0.32256778  0.65835370  0.44143961
   0.06893786  0.62385970  0.41301879
   0.20176216  0.52505540  0.57810845
   0.30483512  0.73291426  0.77153167
   0.13478537  0.78460242  0.55029596
   0.38158273  1.02417418  0.79835981
   0.44923410  0.90401111  0.62714950
   0.17794246  0.95431509  0.68888829
   0.27283206  0.68026483 -0.04500138
   0.01854053  0.65159407  0.92830836
   0.64034745  0.06571773  0.10586027
   0.81912916  0.19076631  0.23963108
   0.60858285  0.31521630  0.03108377
   0.91229904  0.43211060  0.34371576
   0.02729190  0.34200582  0.18820986
   0.77248623  0.46076598  0.16275475
   0.73232485  0.18157376  0.40836911
   0.49176389  0.12157684  0.45368525
   0.66270078  0.06762519  0.58767308
   0.82336952  0.20434422  0.78751303
   0.61344898  0.31456248  0.54355518
   0.87916409  0.44794433  0.84894331
   0.99334838  0.46336628  0.67109382
   0.72666060  0.42711086  0.69204246
   0.78931049  0.12417150  0.95610061
   0.53277570  0.10039834  0.93503635
   0.56504211  0.57783307  0.07712243
   0.85310958  0.70693766  0.30675811
   0.61982257  0.83106899  0.03935861
   0.86377209  0.96922341  0.34775140
   0.91278049  0.87681785  0.16896358
   0.67602413  0.87059921  0.23587688
   0.79978386  0.59135556  0.46102115
   0.55943323  0.55240666  0.37628273
   0.59367126  0.59943988  0.56089143
   0.83803857  0.69731099  0.78816521
   0.62189598  0.80757640  0.43224808
   0.88328105  0.95456650  0.83182652
   0.93513773  0.85553404  0.65937051
   0.67905794  0.91002162  0.73534406
   0.75890831  0.63687091  0.96722001
   0.51355272  0.67650822  0.90232132
   0.69732533  0.81036264  0.58055592
   0.63283298  0.85319117  0.37101004
   0.84738325  0.24395456  0.07547954
   1.00098856  0.40219455  0.32179516
   0.34234139  0.13227841  0.63881890
   0.26264555  0.80563582  0.80716037
   0.05240944  1.12664921  0.17444320
   0.24872700  1.05634582 -0.00997022
   0.65485461  0.37879978  0.87181944
   0.90334070  0.44873077  0.65212752
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955627    0.151205   -0.132601
    -0.000000    9.832223   -0.033553
    -0.000000    0.000000   14.005260
   Si   O    H 
    32    64    10
Direct configuration=  1596
   0.17756315  0.18172876 -0.03788253
   0.38072191  0.07944185  0.37879681
   0.14938646  0.39774859  0.11819608
   0.39810247  0.32996497  0.25543779
   0.09383407  0.15703981  0.47130717
   0.42568832  0.15562447  0.85944438
   0.13589138  0.39822643  0.62950116
   0.37245716  0.38859100  0.74811467
   0.13046165  0.67102940  0.01013683
   0.39952020  0.58095124  0.35489158
   0.06685170  0.90529180  0.14568177
   0.34248095  0.84122102  0.24676642
   0.18233637  0.64936153  0.50253038
   0.36127471  0.63783771  0.85980384
   0.07099805  0.90744876  0.60710759
   0.33335445  0.99821539  0.68346103
   0.65511912  0.15352030  1.01208297
   0.85393278  0.13839305  0.34623281
   0.62138240  0.42785838  0.11633147
   0.86857068  0.31726247  0.17498525
   0.63006356  0.16798414  0.49626785
   0.88815353  0.10755480  0.87150154
   0.60353304  0.45249681  0.61397518
   0.76061676  0.35602612  0.79692651
   0.61267304  0.68007231 -0.00398684
   0.91930488  0.59714589  0.38188905
   0.58549820  0.91595673  0.13837457
   0.83034396  0.85955503  0.26720104
   0.64182279  0.64586076  0.45798912
   0.87234431  0.60711758  0.88078306
   0.60818029  0.91990288  0.62389461
   0.82823754  0.85452022  0.75479473
   0.09553583  0.06663012  0.13396486
   0.40582137  0.17100356  0.27919122
   0.14447331  0.31358715  0.02026257
   0.36425518  0.42205229  0.34554896
   0.53226248  0.38308790  0.21195156
   0.29222418  0.37009378  0.16971822
   0.23368786  0.09229049  0.43388914
  -0.00175022  0.19579870  0.38297453
   0.02464901  0.02859208  0.53732137
   0.47969203  0.27366852  0.78417627
   0.10573693  0.28435546  0.54723054
   0.33041282  0.48647831  0.84070999
   0.45939693  0.46339925  0.66455249
   0.23167166  0.33859766  0.71361368
   0.29444735  0.23791418 -0.10833840
   0.03540008  0.14653526  0.90636300
   0.12027233  0.56434989  0.10151053
   0.38620385  0.68253703  0.25960951
   0.09701282  0.82441625  0.04818236
   0.37926871  0.92411023  0.34342160
   0.42335147  0.89931187  0.15586967
   0.18141854  0.85638731  0.21911455
   0.32277543  0.65879164  0.44233805
   0.07135818  0.62371889  0.41256415
   0.20213343  0.52543330  0.57873804
   0.30456514  0.73356051  0.77071047
   0.13438401  0.78599405  0.55145172
   0.38165585  1.02340006  0.79832114
   0.44873983  0.90403132  0.62779406
   0.17864745  0.95450252  0.68846551
   0.27135977  0.68066907 -0.04518423
   0.01911741  0.65265094  0.92788562
   0.64074121  0.06495703  0.10776678
   0.81829335  0.19074586  0.23979375
   0.60905278  0.31401347  0.03159367
   0.91236504  0.43283873  0.34353969
   0.02809533  0.34255850  0.18808833
   0.77262715  0.46065367  0.16234119
   0.73478558  0.18261618  0.40939717
   0.49155433  0.11997924  0.45336967
   0.66399753  0.06955690  0.58800441
   0.82375889  0.20318251  0.78715195
   0.61219805  0.31400835  0.54444992
   0.87873596  0.44765021  0.84948013
   0.99417217  0.46242942  0.67069152
   0.72544088  0.42772475  0.69164456
   0.78941138  0.12421181  0.95638060
   0.53242503  0.10065063  0.93532032
   0.56571193  0.57713387  0.07815603
   0.85122050  0.70794282  0.30712868
   0.61923972  0.83270195  0.03929756
   0.86434998  0.96872201  0.34878518
   0.91250716  0.87887194  0.17052362
   0.67793700  0.87237972  0.23650456
   0.79902141  0.59075429  0.46239438
   0.55991806  0.55199744  0.37601475
   0.59486481  0.59871292  0.56056059
   0.84064540  0.69805206  0.78717150
   0.62247953  0.80712843  0.43239515
   0.88410928  0.95416562  0.83258025
   0.93497613  0.85572629  0.65846263
   0.67982816  0.90765838  0.73532823
   0.76109985  0.63689496  0.96621977
   0.51179091  0.67729934  0.90207747
   0.69838417  0.81295589  0.57396006
   0.62930886  0.85274818  0.37563041
   0.85262975  0.24477901  0.07618738
   0.99763967  0.40177727  0.32187793
   0.33557276  0.13419855  0.64155272
   0.26508620  0.80181947  0.80600276
   0.04428485  1.13818229  0.17665165
   0.24926629  1.05960106 -0.01420058
   0.65319281  0.37133627  0.87530303
   0.90137323  0.44863372  0.65008706
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955680    0.149110   -0.132248
    -0.000000    9.832086   -0.038752
    -0.000000    0.000000   14.005577
   Si   O    H 
    32    64    10
Direct configuration=  1597
   0.17777223  0.18204348 -0.03756522
   0.37992962  0.07964714  0.37802867
   0.15020715  0.39841866  0.11844914
   0.39773799  0.33136642  0.25514294
   0.09384602  0.15815360  0.47131956
   0.42628558  0.15719267  0.85965350
   0.13370852  0.39886673  0.62972921
   0.37365316  0.38930535  0.74841812
   0.12900153  0.67156320  0.00960507
   0.39972797  0.58148348  0.35540550
   0.06745609  0.90633640  0.14518666
   0.34231258  0.84121493  0.24567645
   0.18183825  0.64833849  0.50248819
   0.36170887  0.63873379  0.85949136
   0.07066858  0.90761413  0.60706131
   0.33324970  0.99876049  0.68338901
   0.65435579  0.15286403  1.01235253
   0.85478732  0.13750123  0.34689855
   0.62164466  0.42832556  0.11703465
   0.86748112  0.31718468  0.17516167
   0.62960332  0.16837382  0.49599716
   0.88827615  0.10750798  0.87086855
   0.60388485  0.45350386  0.61317380
   0.76043580  0.35505585  0.79726420
   0.61203549  0.68115960 -0.00326046
   0.91946227  0.59794278  0.38183271
   0.58516347  0.91653256  0.13884467
   0.83043459  0.85885506  0.26764364
   0.64173377  0.64522764  0.45880334
   0.87258365  0.60668424  0.88082191
   0.60639463  0.91965170  0.62379409
   0.82822398  0.85500895  0.75513550
   0.09603764  0.06664384  0.13364740
   0.40655378  0.17167135  0.27969641
   0.14616193  0.31313076  0.02092028
   0.36509493  0.42246822  0.34604116
   0.53308434  0.38325834  0.21237971
   0.29380593  0.36863419  0.17074232
   0.23416871  0.09396226  0.43437638
  -0.00103352  0.19630629  0.38174690
   0.02505600  0.03000779  0.53737800
   0.47951700  0.27596127  0.78524570
   0.10563479  0.28276127  0.54657025
   0.32967225  0.48466240  0.84085994
   0.45886123  0.46322061  0.66387940
   0.23076570  0.33952522  0.71411544
   0.29547314  0.23911163 -0.10893367
   0.03730148  0.14893198  0.90715733
   0.12097550  0.56518542  0.10179353
   0.38570358  0.68303256  0.25907668
   0.09664449  0.82512046  0.04734452
   0.37871865  0.92277984  0.34358828
   0.42245263  0.89844552  0.15489563
   0.18036095  0.85758879  0.21903650
   0.32307954  0.65978717  0.44374805
   0.07367578  0.62361834  0.41245201
   0.20246203  0.52602784  0.57938022
   0.30457768  0.73318389  0.77000087
   0.13382891  0.78666559  0.55238638
   0.38154236  1.02295276  0.79764976
   0.44801316  0.90492476  0.62892535
   0.17930035  0.95482245  0.68773676
   0.26942596  0.68129549 -0.04561502
   0.01837187  0.65397032  0.92751630
   0.64081546  0.06507249  0.11010622
   0.81773215  0.19079309  0.24023029
   0.61019374  0.31233187  0.03208637
   0.91268651  0.43364783  0.34325327
   0.02877654  0.34374980  0.18731835
   0.77270174  0.46062228  0.16156047
   0.73586754  0.18326536  0.41027031
   0.49122602  0.11694138  0.45236473
   0.66448536  0.07203587  0.58822399
   0.82344644  0.20159846  0.78690763
   0.61119745  0.31352262  0.54602883
   0.87820529  0.44818091  0.85021821
   0.99452520  0.46159250  0.67054391
   0.72505047  0.42793699  0.69137414
   0.78982473  0.12501672  0.95678420
   0.53239164  0.10132480  0.93580250
   0.56678661  0.57636479  0.07860461
   0.84864801  0.70914007  0.30761341
   0.61879425  0.83434803  0.03929011
   0.86491347  0.96968176  0.34989995
   0.91234174  0.88033811  0.17223397
   0.67949871  0.87443193  0.23619996
   0.79851148  0.59076777  0.46345618
   0.56070167  0.55198595  0.37654199
   0.59531126  0.59823739  0.56048261
   0.84339063  0.69841720  0.78653674
   0.62257350  0.80609697  0.43291662
   0.88481877  0.95404910  0.83306892
   0.93379884  0.85536322  0.65761875
   0.67983391  0.90512937  0.73502346
   0.76379556  0.63693015  0.96530198
   0.50987293  0.67783464  0.90164643
   0.69172435  0.81919991  0.56875956
   0.62509193  0.85952062  0.37171270
   0.85566846  0.24813628  0.07755239
   0.99956440  0.39859746  0.32259322
   0.33164175  0.13542996  0.64117807
   0.26258779  0.81307112  0.80952632
   0.04113540  1.13725559  0.17162174
   0.24909982  1.05917234 -0.01508926
   0.65358684  0.36301439  0.87387533
   0.90183916  0.44785952  0.64694532
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955733    0.147978   -0.131825
    -0.000000    9.831827   -0.044068
    -0.000000    0.000000   14.005622
   Si   O    H 
    32    64    10
Direct configuration=  1598
   0.17802648  0.18262524 -0.03764949
   0.37825393  0.07950741  0.37711537
   0.15077528  0.39947548  0.11865703
   0.39736195  0.33324903  0.25505878
   0.09372824  0.15891510  0.47144352
   0.42653724  0.15869861  0.85983696
   0.13124525  0.39928856  0.62965247
   0.37465712  0.39052653  0.74918884
   0.12866476  0.67171846  0.00880993
   0.39996598  0.58238451  0.35620480
   0.06840131  0.90708901  0.14496196
   0.34159914  0.84123600  0.24440201
   0.18125499  0.64713531  0.50292682
   0.36146286  0.63976089  0.85941390
   0.06985344  0.90792337  0.60698253
   0.33309885  0.99997667  0.68334910
   0.65286314  0.15203839  1.01247534
   0.85602380  0.13644630  0.34789090
   0.62157467  0.42826493  0.11821603
   0.86618796  0.31718984  0.17481016
   0.62905503  0.16845683  0.49600540
   0.88877512  0.10697313  0.87033312
   0.60401449  0.45444837  0.61257199
   0.76056637  0.35386055  0.79767952
   0.61172475  0.68183793 -0.00283860
   0.91987599  0.59823025  0.38197487
   0.58570361  0.91693768  0.13889729
   0.83074084  0.85809456  0.26826130
   0.64102546  0.64487880  0.45909115
   0.87281748  0.60627375  0.88083767
   0.60487307  0.91957741  0.62396523
   0.82872972  0.85499708  0.75525958
   0.09562003  0.06703454  0.13320268
   0.40695873  0.17213317  0.28030008
   0.14773574  0.31321889  0.02163644
   0.36558569  0.42293427  0.34661186
   0.53459225  0.38357022  0.21283102
   0.29474994  0.36712122  0.17149701
   0.23542594  0.09555590  0.43498015
   0.00022560  0.19659359  0.38050050
   0.02602127  0.03169416  0.53770216
   0.47885320  0.27691265  0.78613043
   0.10607009  0.28127425  0.54636642
   0.32869878  0.48237482  0.84069398
   0.45789084  0.46277458  0.66351255
   0.22948541  0.33978381  0.71451603
   0.29616494  0.24030324 -0.10942634
   0.03878682  0.15116146  0.90804893
   0.12148828  0.56510210  0.10276475
   0.38455879  0.68284801  0.25861074
   0.09692249  0.82561771  0.04638731
   0.37889493  0.92183966  0.34356908
   0.42157526  0.89747944  0.15423823
   0.18035538  0.85794072  0.21881499
   0.32361094  0.66005714  0.44493455
   0.07613757  0.62391810  0.41226706
   0.20349221  0.52577106  0.58015290
   0.30471787  0.73307241  0.76965836
   0.13347038  0.78610669  0.55321120
   0.38126324  1.02199054  0.79630246
   0.44728553  0.90517642  0.62997373
   0.17955292  0.95408048  0.68662298
   0.26752915  0.68197755 -0.04552079
   0.01734065  0.65525883  0.92649011
   0.64112714  0.06547386  0.11160030
   0.81739524  0.19084388  0.24032568
   0.61083090  0.31157597  0.03245769
   0.91318342  0.43417448  0.34326176
   0.02997735  0.34442478  0.18633122
   0.77265328  0.46028147  0.16111119
   0.73539612  0.18397844  0.41132651
   0.49079936  0.11424752  0.45116965
   0.66483461  0.07425864  0.58817449
   0.82377540  0.20117223  0.78672553
   0.61023470  0.31383104  0.54671525
   0.87738836  0.44961643  0.85100917
   0.99383781  0.46012720  0.67027100
   0.72426691  0.42779703  0.69165328
   0.78964437  0.12443235  0.95693037
   0.53228042  0.10204817  0.93611544
   0.56830685  0.57515149  0.07998172
   0.84729016  0.71060442  0.30766876
   0.61849302  0.83535698  0.03902236
   0.86542598  0.97076271  0.35115389
   0.91261284  0.88122879  0.17423589
   0.67950634  0.87586615  0.23536900
   0.79881021  0.59044631  0.46466050
   0.56146065  0.55259255  0.37734506
   0.59558948  0.59781688  0.56058207
   0.84596882  0.69929392  0.78621089
   0.62253810  0.80532112  0.43325328
   0.88601260  0.95376233  0.83365099
   0.93255782  0.85447480  0.65685468
   0.67924149  0.90265654  0.73472172
   0.76685193  0.63716032  0.96478401
   0.50891424  0.67863250  0.90084689
   0.68369124  0.82565731  0.56526391
   0.62224548  0.85827570  0.37274838
   0.85733320  0.25401863  0.08066859
   1.00251888  0.39636494  0.32333966
   0.33063064  0.13564065  0.64171745
   0.26364200  0.81455798  0.80584216
   0.04521311  1.12981376  0.16490162
   0.24885496  1.05683974 -0.01270419
   0.65702158  0.35878996  0.86999656
   0.90456339  0.44946684  0.64387045
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955636    0.147235   -0.131545
    -0.000000    9.831888   -0.049330
    -0.000000    0.000000   14.005435
   Si   O    H 
    32    64    10
Direct configuration=  1599
   0.17860794  0.18344965 -0.03809743
   0.37623216  0.07944905  0.37638238
   0.15076339  0.40046673  0.11897378
   0.39738293  0.33491164  0.25479831
   0.09383532  0.15886706  0.47210385
   0.42669941  0.15996045  0.85985427
   0.12880889  0.39967315  0.62916238
   0.37526304  0.39084277  0.75016273
   0.12895273  0.67141758  0.00864050
   0.40021121  0.58351637  0.35675941
   0.06871281  0.90801737  0.14462069
   0.34131639  0.84108495  0.24363014
   0.18053994  0.64576329  0.50333245
   0.36136593  0.64071552  0.85969522
   0.06911214  0.90865892  0.60727684
   0.33287108  1.00183076  0.68356367
   0.65102255  0.15099547  1.01229635
   0.85695478  0.13519303  0.34885747
   0.62137306  0.42764405  0.11938179
   0.86510572  0.31707518  0.17449113
   0.62833145  0.16823547  0.49597621
   0.88881116  0.10654881  0.86924501
   0.60433296  0.45508958  0.61218828
   0.76096030  0.35367474  0.79809169
   0.61120940  0.68188589 -0.00261692
   0.92002525  0.59827010  0.38239664
   0.58558117  0.91735145  0.13944014
   0.83136813  0.85732751  0.26865641
   0.64121586  0.64483237  0.45926845
   0.87293001  0.60623306  0.88149285
   0.60432447  0.91980306  0.62416009
   0.82984688  0.85459008  0.75509085
   0.09580187  0.06602170  0.13271931
   0.40709428  0.17233460  0.28049900
   0.14878607  0.31359954  0.02288310
   0.36554236  0.42313374  0.34787151
   0.53625973  0.38518615  0.21349235
   0.29454149  0.36613569  0.17134512
   0.23644608  0.09700669  0.43566167
   0.00094811  0.19620876  0.37947906
   0.02719120  0.03394240  0.53774324
   0.47748589  0.27718964  0.78740083
   0.10700459  0.27983678  0.54628151
   0.32784685  0.48083184  0.84086109
   0.45673518  0.46214452  0.66317197
   0.22814649  0.33943338  0.71452866
   0.29664289  0.24057642 -0.10998867
   0.03977454  0.15232772  0.90877856
   0.12199770  0.56434933  0.10310411
   0.38336376  0.68163781  0.25867029
   0.09740052  0.82692965  0.04571846
   0.37849052  0.92096429  0.34292504
   0.42159989  0.89757292  0.15373503
   0.18070037  0.85800457  0.21952078
   0.32428021  0.65965335  0.44611171
   0.07721510  0.62401251  0.41210330
   0.20438945  0.52558699  0.58117271
   0.30418737  0.73298814  0.76961799
   0.13256739  0.78544832  0.55392575
   0.38158938  1.02031759  0.79501070
   0.44646101  0.90611502  0.63056623
   0.17927898  0.95367991  0.68540661
   0.26601192  0.68275266 -0.04575307
   0.01728024  0.65601217  0.92605622
   0.64159148  0.06552108  0.11210388
   0.81763844  0.19022279  0.24096751
   0.61100543  0.31024334  0.03315492
   0.91441655  0.43497950  0.34331353
   0.03123299  0.34471479  0.18545011
   0.77246150  0.45941782  0.16031667
   0.73477184  0.18514867  0.41228485
   0.49135713  0.11190400  0.45030836
   0.66513426  0.07615293  0.58832961
   0.82389406  0.20014929  0.78639478
   0.60893614  0.31370097  0.54783947
   0.87678734  0.45125659  0.85141624
   0.99326594  0.45864656  0.66984779
   0.72287314  0.42727275  0.69243718
   0.78921213  0.12360741  0.95686834
   0.53202680  0.10296923  0.93683619
   0.56853880  0.57456085  0.08148607
   0.84613811  0.71151471  0.30788798
   0.61782334  0.83663137  0.03885173
   0.86647142  0.97138381  0.35220652
   0.91301431  0.88272160  0.17562027
   0.67912082  0.87777581  0.23478043
   0.79870130  0.59098645  0.46590168
   0.56169998  0.55413491  0.37853087
   0.59537713  0.59738254  0.56109689
   0.84837934  0.69998603  0.78591317
   0.62190130  0.80479171  0.43276196
   0.88669679  0.95345009  0.83400204
   0.93202604  0.85247595  0.65577986
   0.67752967  0.90089736  0.73342572
   0.76849948  0.63742914  0.96445368
   0.50829542  0.67942172  0.90073177
   0.67348386  0.83105913  0.56226526
   0.61998898  0.85371230  0.37640096
   0.85920236  0.25779710  0.08298399
   1.00211573  0.39461764  0.32521639
   0.32664346  0.13910274  0.63995337
   0.26802447  0.80916882  0.79938048
   0.03907013  1.13377787  0.16100440
   0.24584495  1.05007458 -0.00999251
   0.65934920  0.35614278  0.86464055
   0.90383134  0.45128118  0.64040378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955216    0.145987   -0.131272
    -0.000000    9.831998   -0.054392
    -0.000000    0.000000   14.005054
   Si   O    H 
    32    64    10
Direct configuration=  1600
   0.17986160  0.18368476 -0.03872283
   0.37391470  0.07947373  0.37535681
   0.15081274  0.40097907  0.11929499
   0.39753035  0.33658302  0.25424567
   0.09430354  0.15844744  0.47275764
   0.42713738  0.16043100  0.85979423
   0.12611579  0.40043107  0.62895865
   0.37581145  0.39125439  0.75076968
   0.12918309  0.67104153  0.00867775
   0.40100010  0.58424743  0.35678278
   0.06858647  0.90887743  0.14430408
   0.34078270  0.84104816  0.24301030
   0.17975961  0.64471655  0.50357773
   0.36081026  0.64195548  0.86020886
   0.06800746  0.90930990  0.60746919
   0.33236499  1.00371804  0.68359579
   0.64957884  0.14975755  1.01233229
   0.85758551  0.13439951  0.34928484
   0.62099269  0.42751792  0.12018551
   0.86323346  0.31747175  0.17486116
   0.62759266  0.16793538  0.49630139
   0.88881659  0.10570154  0.86822305
   0.60439483  0.45523089  0.61219799
   0.76202622  0.35325806  0.79827642
   0.61114359  0.68223691 -0.00265030
   0.91973811  0.59799426  0.38295909
   0.58489027  0.91806225  0.13997950
   0.83141882  0.85664020  0.26900512
   0.64118593  0.64480405  0.45882678
   0.87347224  0.60652901  0.88224882
   0.60432654  0.92010234  0.62404920
   0.83122464  0.85397679  0.75441271
   0.09616789  0.06563223  0.13183545
   0.40733549  0.17226329  0.28054182
   0.14957996  0.31495693  0.02402265
   0.36468886  0.42424773  0.34897823
   0.53847469  0.38724683  0.21382414
   0.29368318  0.36609367  0.17118660
   0.23754760  0.09839157  0.43594597
   0.00177597  0.19542283  0.37886958
   0.02890950  0.03584374  0.53784398
   0.47671648  0.27652428  0.78818202
   0.10765656  0.27845857  0.54598588
   0.32725158  0.48013993  0.84075111
   0.45570978  0.46189840  0.66287187
   0.22728281  0.33929128  0.71397899
   0.29680332  0.24021050 -0.11067716
   0.03985853  0.15410133  0.90924448
   0.12248486  0.56329892  0.10316074
   0.38253027  0.67925669  0.25892872
   0.09950876  0.82887009  0.04510111
   0.37742439  0.92049827  0.34262038
   0.42235631  0.89722564  0.15334750
   0.18081715  0.85773472  0.22051648
   0.32502586  0.65837990  0.44702781
   0.07800919  0.62352932  0.41189904
   0.20557469  0.52612876  0.58152723
   0.30360715  0.73205512  0.76913201
   0.13225105  0.78312951  0.55408207
   0.38220214  1.01914591  0.79392230
   0.44577735  0.90730672  0.63076084
   0.17877517  0.95288924  0.68428151
   0.26498746  0.68390560 -0.04646689
   0.01693284  0.65720808  0.92529439
   0.64201286  0.06664203  0.11215318
   0.81820697  0.18872991  0.24178691
   0.61121131  0.30976022  0.03466375
   0.91545176  0.43662644  0.34352672
   0.03160539  0.34482660  0.18439086
   0.77222199  0.45839816  0.15976504
   0.73379674  0.18637507  0.41295440
   0.49177683  0.10968474  0.44984827
   0.66465717  0.07834012  0.58846821
   0.82405274  0.19951604  0.78606199
   0.60827755  0.31417261  0.54905552
   0.87664639  0.45267274  0.85123652
   0.99265625  0.45765017  0.66871729
   0.72167926  0.42688995  0.69349099
   0.78892313  0.12192499  0.95710532
   0.53107247  0.10334653  0.93759315
   0.56818253  0.57475970  0.08261349
   0.84583604  0.71111241  0.30830160
   0.61730051  0.83841480  0.03914137
   0.86825774  0.97231653  0.35301469
   0.91367584  0.88460784  0.17640271
   0.67730638  0.87928200  0.23358086
   0.79862331  0.59194259  0.46706870
   0.56250489  0.55620531  0.37908535
   0.59545943  0.59672559  0.56167605
   0.85094402  0.70072290  0.78595495
   0.62089193  0.80391410  0.43279565
   0.88739884  0.95317524  0.83428064
   0.93092509  0.85138739  0.65514854
   0.67512327  0.89986204  0.73252592
   0.77011397  0.63818538  0.96452395
   0.50793092  0.67972826  0.90087858
   0.66441894  0.83458542  0.55974712
   0.61543831  0.84987664  0.37493350
   0.86005624  0.25448602  0.08322983
   0.99839011  0.39558757  0.32783244
   0.32375823  0.13941131  0.63785196
   0.26484354  0.81561293  0.79690193
   0.03200063  1.13926060  0.15803379
   0.24008978  1.04536635 -0.00490327
   0.65879488  0.35706373  0.86284714
   0.90634462  0.44988579  0.64003428
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953880    0.144415   -0.130786
    -0.000000    9.832220   -0.059358
    -0.000000    0.000000   14.004891
   Si   O    H 
    32    64    10
Direct configuration=  1601
   0.18074746  0.18393370 -0.03931363
   0.37209940  0.07937132  0.37451563
   0.15064566  0.40104593  0.11996715
   0.39796127  0.33830030  0.25373743
   0.09494152  0.15840335  0.47352291
   0.42723987  0.16037700  0.85907202
   0.12420148  0.40114933  0.62861804
   0.37590665  0.39128867  0.75113944
   0.12926910  0.67063522  0.00887032
   0.40192293  0.58539204  0.35701149
   0.06828638  0.90876860  0.14398587
   0.33969036  0.84062805  0.24252158
   0.17977429  0.64348993  0.50338713
   0.35993131  0.64320592  0.86093919
   0.06639758  0.90932961  0.60751421
   0.33193071  1.00567461  0.68366325
   0.64774796  0.14883189  1.01236009
   0.85870576  0.13355609  0.34950950
   0.62133176  0.42819914  0.12107147
   0.86202618  0.31773198  0.17539138
   0.62716837  0.16804130  0.49688280
   0.88873602  0.10521395  0.86757562
   0.60385285  0.45479128  0.61214186
   0.76232648  0.35259337  0.79839499
   0.61115495  0.68201429 -0.00255929
   0.91880917  0.59807981  0.38400754
   0.58467519  0.91843634  0.14014033
   0.83174263  0.85618888  0.26944496
   0.64189734  0.64439453  0.45799187
   0.87463781  0.60671249  0.88248489
   0.60466493  0.92063865  0.62383910
   0.83194545  0.85371858  0.75332141
   0.09589274  0.06505302  0.13138334
   0.40712376  0.17191673  0.28084678
   0.15020307  0.31660126  0.02562123
   0.36319890  0.42405100  0.35049620
   0.54040221  0.38916484  0.21440242
   0.29250897  0.36672219  0.17113625
   0.23848944  0.09970579  0.43616472
   0.00341723  0.19412361  0.37820452
   0.03119549  0.03715937  0.53765307
   0.47681221  0.27520960  0.78898605
   0.10804935  0.27727650  0.54544723
   0.32706791  0.48038148  0.84139042
   0.45557522  0.46139726  0.66325696
   0.22678736  0.33879914  0.71334677
   0.29704440  0.24124676 -0.11146496
   0.03879475  0.15541015  0.90897513
   0.12378404  0.56264120  0.10299709
   0.38233706  0.67727579  0.25950637
   0.10119075  0.83037236  0.04406560
   0.37636118  0.92031763  0.34154173
   0.42394005  0.89697753  0.15294102
   0.18122627  0.85712082  0.22113067
   0.32652366  0.65725213  0.44754086
   0.07856407  0.62256123  0.41141372
   0.20605244  0.52647994  0.58175451
   0.30327848  0.73136379  0.76831827
   0.13211432  0.78001779  0.55375080
   0.38316380  1.01815012  0.79277067
   0.44489203  0.90870341  0.63030259
   0.17841743  0.95247535  0.68339107
   0.26475691  0.68505161 -0.04784754
   0.01606558  0.65767286  0.92471515
   0.64187686  0.06792316  0.11248945
   0.81911150  0.18783611  0.24311186
   0.61152517  0.30928959  0.03602946
   0.91623002  0.43805310  0.34396508
   0.03158809  0.34437166  0.18323422
   0.77189967  0.45785337  0.15897874
   0.73260648  0.18742918  0.41329475
   0.49255022  0.10808405  0.44894519
   0.66402227  0.08042152  0.58827932
   0.82409383  0.19939130  0.78573268
   0.60736127  0.31471069  0.54987764
   0.87754316  0.45334998  0.85078869
   0.99094919  0.45699054  0.66842796
   0.72120899  0.42619139  0.69455434
   0.78851037  0.12093554  0.95757344
   0.52985111  0.10360304  0.93817536
   0.56798738  0.57524879  0.08354073
   0.84473353  0.70959137  0.30947126
   0.61676697  0.84010544  0.03999313
   0.86987691  0.97184181  0.35351342
   0.91458665  0.88642207  0.17699832
   0.67448952  0.88020573  0.23270285
   0.79949036  0.59237940  0.46808030
   0.56382928  0.55802440  0.37917915
   0.59527473  0.59709933  0.56246678
   0.85294545  0.70144877  0.78627223
   0.61975264  0.80307607  0.43310979
   0.88856195  0.95340083  0.83459163
   0.92899609  0.85037557  0.65472197
   0.67284562  0.89882970  0.73117812
   0.77105995  0.63935893  0.96443970
   0.50846698  0.68007852  0.90072479
   0.65663132  0.83396857  0.55780074
   0.60858841  0.85008990  0.36718619
   0.86158665  0.25136460  0.08026931
   0.99955515  0.39446806  0.32739917
   0.32151096  0.13611550  0.63530084
   0.26476192  0.82059784  0.79497006
   0.03026825  1.13424137  0.15308140
   0.23447162  1.04606381  0.00065614
   0.65340673  0.35919777  0.86557560
   0.90092631  0.45036054  0.63913238
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952754    0.142773   -0.130466
    -0.000000    9.832660   -0.064302
    -0.000000    0.000000   14.004484
   Si   O    H 
    32    64    10
Direct configuration=  1602
   0.18112728  0.18395149 -0.04000789
   0.37056288  0.07921934  0.37411382
   0.15097622  0.40115804  0.12047791
   0.39784313  0.34030878  0.25333854
   0.09637395  0.15840363  0.47409449
   0.42742699  0.16026831  0.85801592
   0.12265886  0.40175447  0.62837037
   0.37588442  0.39124004  0.75140604
   0.12935796  0.67010457  0.00890648
   0.40234877  0.58692531  0.35725356
   0.06803499  0.90878274  0.14343752
   0.33835139  0.84010224  0.24231009
   0.17944922  0.64173084  0.50327183
   0.35900592  0.64466607  0.86115161
   0.06460153  0.90936726  0.60763671
   0.33138775  1.00706458  0.68407393
   0.64588534  0.14812900  1.01236425
   0.85983265  0.13315996  0.34971417
   0.62197352  0.42880326  0.12193150
   0.86067322  0.31783432  0.17592318
   0.62732215  0.16836584  0.49747502
   0.88897180  0.10480211  0.86670383
   0.60252267  0.45363640  0.61223095
   0.76283959  0.35185986  0.79856570
   0.61128441  0.68168946 -0.00278092
   0.91704055  0.59835137  0.38496441
   0.58500065  0.91846366  0.14057169
   0.83137864  0.85625864  0.26985916
   0.64248181  0.64452500  0.45688071
   0.87601215  0.60702900  0.88224156
   0.60543030  0.92223496  0.62328884
   0.83274558  0.85347087  0.75178745
   0.09592376  0.06538195  0.13135292
   0.40617726  0.17168571  0.28141036
   0.15073594  0.31791980  0.02722052
   0.36206382  0.42357877  0.35164983
   0.54252222  0.39093298  0.21482701
   0.29119644  0.36722622  0.17134152
   0.23907282  0.10087640  0.43591306
   0.00515182  0.19284074  0.37822798
   0.03305027  0.03808539  0.53768230
   0.47736028  0.27420711  0.78999166
   0.10871092  0.27620359  0.54553464
   0.32693551  0.48162776  0.84242008
   0.45541920  0.46078732  0.66395633
   0.22574401  0.33890048  0.71329788
   0.29721049  0.24179408 -0.11153937
   0.03766815  0.15634677  0.90879546
   0.12479373  0.56195732  0.10275857
   0.38197402  0.67554561  0.26017567
   0.10222492  0.83236925  0.04325351
   0.37537760  0.92017535  0.34007066
   0.42607799  0.89674009  0.15305196
   0.18125754  0.85681150  0.22190868
   0.32806216  0.65611834  0.44772672
   0.07912908  0.62157601  0.41102186
   0.20643353  0.52716842  0.58191834
   0.30251851  0.73228093  0.76749978
   0.13138501  0.77786155  0.55346697
   0.38430941  1.01763109  0.79211981
   0.44356652  0.91036593  0.63034569
   0.17852067  0.95075592  0.68209243
   0.26548378  0.68615390 -0.04891973
   0.01594267  0.65751751  0.92459287
   0.64141725  0.06864413  0.11235088
   0.82098056  0.18756110  0.24367388
   0.61182972  0.30918558  0.03756096
   0.91728593  0.43980721  0.34427234
   0.03175090  0.34296415  0.18261926
   0.77149302  0.45695769  0.15879256
   0.73230835  0.18835825  0.41372678
   0.49225785  0.10544132  0.44793346
   0.66331632  0.08113712  0.58850878
   0.82378046  0.19885300  0.78530643
   0.60544434  0.31530075  0.55037887
   0.87822144  0.45372020  0.84991547
   0.98895016  0.45626702  0.66830814
   0.72079118  0.42571289  0.69541359
   0.78836455  0.11997228  0.95756713
   0.52820625  0.10466012  0.93862185
   0.56644449  0.57633920  0.08415038
   0.84369662  0.70771531  0.31095679
   0.61639377  0.84147036  0.04113653
   0.87156432  0.97116591  0.35420129
   0.91624410  0.88806840  0.17666388
   0.67237287  0.88093062  0.23230851
   0.80108702  0.59265712  0.46870959
   0.56501318  0.56001324  0.37881991
   0.59528804  0.59850558  0.56339078
   0.85530921  0.70125163  0.78713850
   0.61855810  0.80314166  0.43276172
   0.88950679  0.95330981  0.83480782
   0.92733966  0.85000984  0.65454583
   0.67113461  0.89702315  0.72991418
   0.77126227  0.64166637  0.96419464
   0.50838268  0.68032518  0.90090199
   0.65160950  0.82611312  0.55445292
   0.60358584  0.84587519  0.36688208
   0.86595313  0.24795257  0.07513894
   1.00430907  0.39427569  0.32677400
   0.32157272  0.13056078  0.63304825
   0.26652887  0.82363087  0.79204179
   0.02932811  1.13006843  0.14857323
   0.22696174  1.05419275  0.00210192
   0.64479814  0.36231203  0.86802813
   0.89465036  0.45065657  0.64020254
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951918    0.141453   -0.130296
    -0.000000    9.833323   -0.069202
    -0.000000    0.000000   14.004159
   Si   O    H 
    32    64    10
Direct configuration=  1603
   0.18145248  0.18383347 -0.04038134
   0.36906485  0.07927654  0.37353897
   0.15100956  0.40149089  0.12129346
   0.39792450  0.34226244  0.25320170
   0.09762295  0.15807023  0.47464552
   0.42786344  0.15982126  0.85680160
   0.12231286  0.40208995  0.62760631
   0.37511848  0.39130701  0.75139187
   0.12940237  0.66962627  0.00882285
   0.40200674  0.58794584  0.35729332
   0.06789737  0.90839249  0.14307915
   0.33741514  0.83952731  0.24241077
   0.17973743  0.64058884  0.50313109
   0.35827405  0.64591600  0.86114384
   0.06323216  0.90882801  0.60739028
   0.33094015  1.00815438  0.68455793
   0.64438641  0.14695706  1.01228193
   0.86065227  0.13243919  0.35040090
   0.62263806  0.42959414  0.12215991
   0.85956825  0.31799682  0.17635371
   0.62776951  0.16882183  0.49814652
   0.88870800  0.10468815  0.86633752
   0.60089943  0.45219047  0.61243487
   0.76358299  0.35165812  0.79896047
   0.61174294  0.68065638 -0.00336678
   0.91534389  0.59854677  0.38617298
   0.58594361  0.91870349  0.14058979
   0.83130627  0.85717588  0.27035449
   0.64306570  0.64422218  0.45592585
   0.87716082  0.60766069  0.88192305
   0.60638258  0.92393578  0.62321956
   0.83365700  0.85300767  0.75010713
   0.09601622  0.06600494  0.13122198
   0.40524718  0.17277343  0.28108182
   0.15181960  0.31838283  0.02847413
   0.36145499  0.42296227  0.35246021
   0.54377473  0.39231035  0.21505233
   0.28964640  0.36836753  0.17183581
   0.23909016  0.10208261  0.43597187
   0.00680324  0.19249947  0.37803588
   0.03386305  0.03836805  0.53793057
   0.47843742  0.27357338  0.79062312
   0.11014830  0.27602221  0.54605047
   0.32808263  0.48298689  0.84341301
   0.45507811  0.46012833  0.66457429
   0.22490904  0.33856485  0.71318233
   0.29638932  0.24160047 -0.11074532
   0.03744284  0.15700994  0.90914964
   0.12582159  0.56163309  0.10231469
   0.38185828  0.67414750  0.26054921
   0.10315036  0.83341561  0.04293331
   0.37564631  0.91965890  0.33959808
   0.42826585  0.89602818  0.15299433
   0.18144955  0.85673773  0.22289886
   0.32832323  0.65552943  0.44800432
   0.07919451  0.62107097  0.41073213
   0.20728711  0.52788323  0.58160078
   0.30191379  0.73362764  0.76701581
   0.13079380  0.77598201  0.55285862
   0.38563277  1.01672875  0.79215437
   0.44192573  0.91225812  0.63008680
   0.17885884  0.94954768  0.68131877
   0.26634067  0.68731291 -0.04996458
   0.01618006  0.65681348  0.92465712
   0.64044684  0.06901051  0.11234330
   0.82197101  0.18699194  0.24406999
   0.61283437  0.30892143  0.03914134
   0.91857513  0.44140822  0.34454314
   0.03063360  0.34156078  0.18241985
   0.77205825  0.45608175  0.15862672
   0.73220745  0.18920479  0.41460927
   0.49215187  0.10436743  0.44716851
   0.66260836  0.08055741  0.58906021
   0.82331746  0.19890518  0.78480628
   0.60413143  0.31564288  0.55086833
   0.87867364  0.45358647  0.84939093
   0.98548602  0.45489606  0.66806879
   0.72096040  0.42442648  0.69644766
   0.78874234  0.11874582  0.95771277
   0.52671713  0.10542249  0.93911456
   0.56462373  0.57786937  0.08444006
   0.84307547  0.70627935  0.31242133
   0.61600590  0.84217173  0.04222841
   0.87308235  0.96949132  0.35500069
   0.91767129  0.89073825  0.17647560
   0.67064191  0.88131767  0.23256898
   0.80178169  0.59275647  0.46923650
   0.56550858  0.56121157  0.37772838
   0.59546668  0.59907377  0.56416249
   0.85755819  0.70051165  0.78731072
   0.61738938  0.80379692  0.43209713
   0.89038539  0.95286108  0.83497492
   0.92579770  0.85042632  0.65441397
   0.67003590  0.89567316  0.72888573
   0.77085694  0.64401887  0.96407946
   0.50925412  0.68110623  0.90124428
   0.64727896  0.82036429  0.55138091
   0.59916945  0.83651945  0.37145682
   0.86770363  0.24769175  0.07260102
   1.00417261  0.39584671  0.32504818
   0.32250403  0.13242780  0.62694301
   0.27276721  0.82140330  0.78893363
   0.02355042  1.13244053  0.14845452
   0.21792097  1.05842109  0.00316619
   0.64377435  0.36717137  0.86880980
   0.89198078  0.44959052  0.64373946
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951331    0.140086   -0.130024
    -0.000000    9.833947   -0.073907
    -0.000000    0.000000   14.004176
   Si   O    H 
    32    64    10
Direct configuration=  1604
   0.18138162  0.18368759 -0.04095799
   0.36700607  0.07931701  0.37335866
   0.15128718  0.40198422  0.12184734
   0.39799901  0.34365387  0.25356037
   0.09896993  0.15777801  0.47498635
   0.42821537  0.15876674  0.85588733
   0.12253585  0.40199595  0.62655566
   0.37413381  0.39111485  0.75117201
   0.12947867  0.66937099  0.00873622
   0.40183186  0.58844478  0.35728599
   0.06803883  0.90833709  0.14256604
   0.33625665  0.83855903  0.24277569
   0.18004429  0.63938025  0.50302049
   0.35751740  0.64744583  0.86108574
   0.06144606  0.90860650  0.60687034
   0.33124942  1.00888993  0.68478112
   0.64342161  0.14609189  1.01222412
   0.86126170  0.13125372  0.35157176
   0.62364912  0.43006003  0.12208182
   0.85849414  0.31715040  0.17655576
   0.62802707  0.16975184  0.49840036
   0.88796997  0.10491968  0.86669600
   0.59904049  0.45129527  0.61353388
   0.76426874  0.35212226  0.79942451
   0.61222907  0.67971888 -0.00386576
   0.91397741  0.59876262  0.38718804
   0.58658560  0.91946112  0.14072374
   0.83111773  0.85817184  0.27074647
   0.64330805  0.64463716  0.45529729
   0.87849995  0.60826359  0.88174495
   0.60724411  0.92599042  0.62330648
   0.83501760  0.85235334  0.74867490
   0.09556684  0.06674211  0.13132179
   0.40346164  0.17467159  0.28029699
   0.15249612  0.31782221  0.02912402
   0.36102812  0.42268079  0.35290943
   0.54422206  0.39290811  0.21544816
   0.28919183  0.36910801  0.17239740
   0.23896464  0.10348448  0.43520837
   0.00857152  0.19207138  0.37779811
   0.03437117  0.03855281  0.53816504
   0.47965355  0.27369625  0.79025477
   0.11222779  0.27666853  0.54704314
   0.33027185  0.48501073  0.84476951
   0.45417102  0.46024784  0.66550180
   0.22426477  0.33756344  0.71274386
   0.29506043  0.24232766 -0.10955302
   0.03679882  0.15750568  0.90886582
   0.12586784  0.56148465  0.10235755
   0.38226526  0.67313886  0.26048280
   0.10395380  0.83444725  0.04261465
   0.37651309  0.91926688  0.33896412
   0.42983902  0.89572741  0.15341743
   0.18171229  0.85774293  0.22430224
   0.32837694  0.65551492  0.44842970
   0.07865983  0.62034784  0.41029707
   0.20924516  0.52864548  0.58130441
   0.30206572  0.73402386  0.76699427
   0.12996199  0.77453239  0.55247381
   0.38740862  1.01681967  0.79222889
   0.44063056  0.91380133  0.63007571
   0.17940893  0.94789311  0.68044285
   0.26737092  0.68835711 -0.05009981
   0.01716171  0.65587466  0.92463133
   0.63970338  0.06875284  0.11292760
   0.82309367  0.18697965  0.24409413
   0.61375857  0.30930427  0.04057762
   0.91854026  0.44266238  0.34508683
   0.02874846  0.34020185  0.18235269
   0.77273560  0.45525255  0.15889918
   0.73279815  0.18995712  0.41563969
   0.49266609  0.10393014  0.44648900
   0.66243379  0.08000284  0.58946285
   0.82324813  0.19960266  0.78401572
   0.60280581  0.31568227  0.55151652
   0.87917289  0.45340999  0.84903719
   0.98257598  0.45344003  0.66772980
   0.72091613  0.42367583  0.69769677
   0.78976061  0.11787066  0.95870850
   0.52522778  0.10617302  0.93945956
   0.56328657  0.57866081  0.08454824
   0.84247327  0.70494548  0.31364635
   0.61594251  0.84238618  0.04298438
   0.87484970  0.96716992  0.35552322
   0.91901239  0.89357468  0.17604138
   0.66951052  0.88141155  0.23347661
   0.80327614  0.59310794  0.46990910
   0.56580859  0.56187696  0.37611035
   0.59550366  0.59992630  0.56476777
   0.86016614  0.70024659  0.78760173
   0.61688152  0.80393160  0.43203958
   0.89209177  0.95166847  0.83499442
   0.92399873  0.85113016  0.65445407
   0.66937456  0.89505014  0.72802957
   0.77062040  0.64655541  0.96425962
   0.51039137  0.68084383  0.90089216
   0.64253714  0.82174999  0.55341626
   0.59358150  0.82985493  0.36944777
   0.86682318  0.24990410  0.07296674
   1.00403936  0.40043628  0.32410291
   0.32354197  0.13238874  0.62196644
   0.27884697  0.82181433  0.78858989
   0.02631035  1.13197647  0.14586339
   0.21223585  1.05716918  0.00568776
   0.64785867  0.36839800  0.86648765
   0.89192869  0.44994126  0.64634926
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950607    0.139209   -0.129751
    -0.000000    9.834995   -0.078082
    -0.000000    0.000000   14.004503
   Si   O    H 
    32    64    10
Direct configuration=  1605
   0.18128041  0.18352898 -0.04161885
   0.36587282  0.07937749  0.37328856
   0.15168935  0.40246868  0.12289263
   0.39812072  0.34503345  0.25383593
   0.10050587  0.15753478  0.47482186
   0.42772355  0.15771681  0.85501999
   0.12318308  0.40270856  0.62609547
   0.37395486  0.39083981  0.75094140
   0.12989727  0.66982554  0.00819391
   0.40153570  0.58877209  0.35695505
   0.06821358  0.90819807  0.14240361
   0.33539510  0.83729745  0.24306471
   0.18056906  0.63900327  0.50277226
   0.35702595  0.64891986  0.86096095
   0.05991451  0.90808488  0.60629625
   0.33142074  1.00867653  0.68498470
   0.64204231  0.14561057  1.01200029
   0.86165323  0.13061764  0.35270488
   0.62460214  0.43026442  0.12165398
   0.85762265  0.31644126  0.17696831
   0.62741058  0.17048959  0.49807050
   0.88717727  0.10565952  0.86734273
   0.59738138  0.45062260  0.61502423
   0.76484489  0.35301753  0.80031468
   0.61291660  0.67934416 -0.00434179
   0.91340677  0.59775758  0.38798983
   0.58705169  0.91996857  0.14095336
   0.83117704  0.85907799  0.27084173
   0.64354045  0.64478321  0.45506307
   0.87874304  0.60865289  0.88208863
   0.60775647  0.92724741  0.62324339
   0.83571853  0.85181321  0.74786251
   0.09488537  0.06835127  0.13185185
   0.40175397  0.17694058  0.27884604
   0.15380148  0.31661899  0.02917729
   0.36091241  0.42273549  0.35342922
   0.54332191  0.39336509  0.21605999
   0.28875863  0.37007512  0.17333411
   0.23815797  0.10467406  0.43442771
   0.01003810  0.19175302  0.37836989
   0.03509216  0.03901085  0.53879034
   0.48162875  0.27448226  0.78979297
   0.11433303  0.27750137  0.54907451
   0.33168502  0.48692226  0.84533607
   0.45295070  0.46007237  0.66645336
   0.22388509  0.33714781  0.71201831
   0.29421140  0.24227092 -0.10877439
   0.03531884  0.15656931  0.90789998
   0.12645041  0.56135791  0.10198358
   0.38210404  0.67125301  0.26066129
   0.10595557  0.83453614  0.04233178
   0.37688089  0.91925015  0.33837191
   0.43105405  0.89590121  0.15451942
   0.18187836  0.85869336  0.22556882
   0.32849469  0.65595406  0.44836348
   0.07707909  0.61940775  0.41003086
   0.21039576  0.52912718  0.58135797
   0.30193936  0.73385113  0.76640365
   0.12968391  0.77369043  0.55229889
   0.39025696  1.01778670  0.79308979
   0.43993862  0.91469876  0.62943114
   0.17927073  0.94604189  0.67958809
   0.26732978  0.68887619 -0.04958470
   0.01810966  0.65466877  0.92499761
   0.63902400  0.06863833  0.11361727
   0.82455052  0.18686748  0.24460347
   0.61444229  0.30941393  0.04209046
   0.91802260  0.44330292  0.34567247
   0.02623188  0.33914695  0.18231624
   0.77363528  0.45475640  0.16011586
   0.73425908  0.19080072  0.41659966
   0.49399776  0.10413711  0.44594759
   0.66148910  0.07797827  0.58984875
   0.82292214  0.20044650  0.78268308
   0.60164936  0.31570265  0.55233817
   0.87948812  0.45319152  0.84838519
   0.98000022  0.45127257  0.66781541
   0.72075812  0.42290833  0.69849315
   0.79082191  0.11745912  0.95960727
   0.52410375  0.10617129  0.93997403
   0.56260902  0.57869524  0.08476239
   0.84269901  0.70375048  0.31421930
   0.61606389  0.84149251  0.04265085
   0.87699388  0.96389155  0.35541304
   0.91976693  0.89509981  0.17642124
   0.66928461  0.88065224  0.23473422
   0.80500321  0.59354754  0.47041317
   0.56592449  0.56271225  0.37494569
   0.59563812  0.60061656  0.56464260
   0.86241233  0.70011767  0.78795158
   0.61618795  0.80376669  0.43227251
   0.89354483  0.95079339  0.83467378
   0.92182945  0.85157064  0.65366100
   0.66913867  0.89376268  0.72770835
   0.76931830  0.64830676  0.96467890
   0.51190780  0.67993979  0.90073196
   0.64176690  0.82996808  0.55702518
   0.58977319  0.82524951  0.36338394
   0.86523672  0.25166730  0.07552484
   1.00430561  0.40468861  0.32104768
   0.32472321  0.13394787  0.62097199
   0.28184021  0.83187839  0.79084675
   0.02368527  1.13164342  0.14208195
   0.21058207  1.05709968  0.00636216
   0.65626481  0.36686968  0.86340632
   0.88470518  0.44981677  0.64552449
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949722    0.138746   -0.129827
    -0.000000    9.835946   -0.082214
    -0.000000    0.000000   14.005294
   Si   O    H 
    32    64    10
Direct configuration=  1606
   0.18086812  0.18416497 -0.04259351
   0.36560518  0.07944236  0.37314100
   0.15191301  0.40345140  0.12386681
   0.39804223  0.34569457  0.25427359
   0.10156653  0.15755223  0.47477223
   0.42759714  0.15622824  0.85440064
   0.12396698  0.40379825  0.62544471
   0.37414746  0.39065477  0.75095741
   0.12990487  0.67058818  0.00775171
   0.40229093  0.58874346  0.35688954
   0.06849877  0.90734252  0.14237811
   0.33448289  0.83630236  0.24355612
   0.18139398  0.63923388  0.50240114
   0.35647320  0.65035247  0.86091566
   0.05878744  0.90697308  0.60603806
   0.33143345  1.00836209  0.68543934
   0.64110967  0.14493068  1.01208260
   0.86149827  0.12995525  0.35354939
   0.62506793  0.43012798  0.12104897
   0.85695177  0.31515225  0.17780208
   0.62606962  0.17097350  0.49826293
   0.88719439  0.10693060  0.86789133
   0.59583697  0.44971677  0.61668441
   0.76607967  0.35423500  0.80096305
   0.61329179  0.67924256 -0.00464124
   0.91287168  0.59655249  0.38828697
   0.58734333  0.92099504  0.14159101
   0.83153723  0.85934478  0.27088957
   0.64477136  0.64488483  0.45554898
   0.87937281  0.60867864  0.88267853
   0.60760717  0.92832508  0.62330773
   0.83606160  0.85071653  0.74752393
   0.09442911  0.06934653  0.13222037
   0.40020922  0.17958872  0.27785550
   0.15379892  0.31471991  0.02862665
   0.36051107  0.42354518  0.35371353
   0.54271810  0.39381516  0.21657997
   0.28837340  0.37104359  0.17409531
   0.23712554  0.10623544  0.43379989
   0.01190180  0.19134250  0.37876208
   0.03550533  0.03960986  0.53949403
   0.48358466  0.27498819  0.78868039
   0.11615154  0.27966044  0.55056320
   0.33379697  0.48859496  0.84545297
   0.45195347  0.46026309  0.66717682
   0.22418442  0.33812399  0.71148716
   0.29377316  0.24104663 -0.10733720
   0.03331494  0.15521752  0.90693585
   0.12758019  0.56131282  0.10223789
   0.38195837  0.67038261  0.26034313
   0.10804452  0.83416050  0.04224795
   0.37664292  0.91969537  0.33757750
   0.43059716  0.89638932  0.15597331
   0.18084363  0.85960309  0.22693832
   0.32832213  0.65627533  0.44902249
   0.07573140  0.61787485  0.40949295
   0.21180989  0.52842723  0.58169182
   0.30205864  0.73433261  0.76594910
   0.12917207  0.77350982  0.55214559
   0.39281372  1.01869845  0.79427658
   0.43914555  0.91544023  0.62849371
   0.17827009  0.94415780  0.67902711
   0.26695605  0.68972783 -0.04871405
   0.01973670  0.65272434  0.92554654
   0.63882757  0.06946493  0.11399911
   0.82548145  0.18557156  0.24461034
   0.61463417  0.30949306  0.04336398
   0.91871526  0.44371938  0.34631473
   0.02402297  0.33941368  0.18267689
   0.77463692  0.45510172  0.16093421
   0.73683777  0.19095752  0.41758436
   0.49500672  0.10464305  0.44566165
   0.65975633  0.07682209  0.58999908
   0.82319125  0.20161879  0.78137368
   0.60004385  0.31563465  0.55270774
   0.87998482  0.45290246  0.84828403
   0.97711181  0.44906400  0.66766438
   0.72096249  0.42194215  0.69832875
   0.79060695  0.11644153  0.96056413
   0.52252491  0.10602846  0.94033953
   0.56230237  0.57921241  0.08393274
   0.84321163  0.70373820  0.31390693
   0.61644064  0.83989551  0.04205315
   0.87925477  0.96031227  0.35557124
   0.91976581  0.89584201  0.17691931
   0.66935268  0.88050808  0.23622743
   0.80620535  0.59415125  0.47043753
   0.56646952  0.56332505  0.37370825
   0.59578189  0.60106400  0.56409971
   0.86352154  0.70030226  0.78796367
   0.61453933  0.80424052  0.43190760
   0.89482540  0.94897724  0.83417963
   0.92006697  0.85175473  0.65230414
   0.67000748  0.89243171  0.72787470
   0.76832661  0.64993404  0.96488651
   0.51303966  0.68027629  0.90064039
   0.64606037  0.83427411  0.55834190
   0.58594924  0.81773851  0.36300046
   0.85965519  0.25276497  0.08157974
   1.00138325  0.41159459  0.31988661
   0.32419016  0.13483376  0.62108305
   0.28497948  0.83086294  0.78795126
   0.01690750  1.14018771  0.13944764
   0.21361492  1.05679961  0.00712446
   0.66238612  0.36831509  0.86262665
   0.87983296  0.45002046  0.64672920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948847    0.137682   -0.129587
    -0.000000    9.836722   -0.086148
    -0.000000    0.000000   14.005984
   Si   O    H 
    32    64    10
Direct configuration=  1607
   0.18092037  0.18391459 -0.04327572
   0.36634634  0.07901381  0.37274870
   0.15229640  0.40387848  0.12482974
   0.39834159  0.34567042  0.25435494
   0.10255024  0.15730783  0.47442762
   0.42735352  0.15543097  0.85361303
   0.12487348  0.40464468  0.62494452
   0.37399711  0.39021841  0.75114121
   0.13002495  0.67118903  0.00765917
   0.40304991  0.58888626  0.35711166
   0.06940885  0.90687711  0.14264545
   0.33430818  0.83483222  0.24392900
   0.18294402  0.63949364  0.50197669
   0.35672731  0.65181443  0.86088278
   0.05817813  0.90634053  0.60595277
   0.33074244  1.00883482  0.68547495
   0.64048530  0.14506416  1.01193357
   0.86136272  0.12868497  0.35438302
   0.62563031  0.43011623  0.12046875
   0.85667337  0.31408835  0.17843216
   0.62426090  0.17176072  0.49865626
   0.88742161  0.10803741  0.86819419
   0.59456678  0.44861771  0.61825847
   0.76688597  0.35563030  0.80101112
   0.61297533  0.68026831 -0.00471160
   0.91301765  0.59613391  0.38823113
   0.58806871  0.92186338  0.14189966
   0.83176829  0.85957748  0.27096970
   0.64646931  0.64464697  0.45619298
   0.87988911  0.60898973  0.88325999
   0.60714976  0.92883603  0.62346263
   0.83671901  0.84973593  0.74785191
   0.09320575  0.07068270  0.13259651
   0.39854018  0.18166356  0.27644493
   0.15361000  0.31321942  0.02771171
   0.35966539  0.42358952  0.35430502
   0.54165311  0.39442468  0.21698402
   0.28848296  0.37164568  0.17516086
   0.23570582  0.10773831  0.43314769
   0.01304688  0.19032190  0.37955321
   0.03554151  0.04005704  0.53955156
   0.48466497  0.27544174  0.78776255
   0.11767933  0.28273986  0.55222908
   0.33642028  0.48986060  0.84522196
   0.45087696  0.46017027  0.66780296
   0.22446489  0.33853697  0.71162472
   0.29465589  0.23966363 -0.10630678
   0.03106215  0.15429176  0.90558388
   0.12862801  0.56130590  0.10264602
   0.38123087  0.67012506  0.25972750
   0.10972850  0.83416857  0.04260401
   0.37534056  0.91956136  0.33746044
   0.42980033  0.89574824  0.15751022
   0.17954639  0.85965961  0.22775175
   0.32802224  0.65631469  0.44989012
   0.07488481  0.61691698  0.40891366
   0.21366371  0.52783986  0.58247396
   0.30200142  0.73400610  0.76543872
   0.12838899  0.77366614  0.55152448
   0.39535745  1.01966435  0.79554682
   0.43965182  0.91613359  0.62748253
   0.17765531  0.94301649  0.67893098
   0.26691098  0.69112843 -0.04808976
   0.02190969  0.65092762  0.92613821
   0.63820161  0.06987292  0.11474808
   0.82694032  0.18525255  0.24453421
   0.61473430  0.30907144  0.04436466
   0.91824397  0.44410853  0.34692008
   0.02219270  0.34019247  0.18331914
   0.77561563  0.45555005  0.16169637
   0.73957053  0.19164104  0.41812256
   0.49496585  0.10507403  0.44525669
   0.65852050  0.07590717  0.59025649
   0.82413725  0.20197914  0.77982161
   0.59933427  0.31569701  0.55327674
   0.87970816  0.45266464  0.84848783
   0.97422350  0.44734832  0.66730046
   0.72092773  0.42092759  0.69845735
   0.78974422  0.11610829  0.96197981
   0.52129538  0.10604413  0.94042134
   0.56186935  0.57904661  0.08302558
   0.84381419  0.70384890  0.31344579
   0.61656106  0.83768083  0.04160091
   0.88085549  0.95736042  0.35619685
   0.91924038  0.89634892  0.17713764
   0.66951257  0.88005767  0.23791897
   0.80715334  0.59512246  0.47094515
   0.56695527  0.56418740  0.37302906
   0.59542187  0.60099851  0.56432082
   0.86404309  0.70051091  0.78744871
   0.61199618  0.80525819  0.43158145
   0.89647635  0.94803458  0.83353716
   0.91948820  0.85214240  0.65128752
   0.67104042  0.89152169  0.72822092
   0.76694949  0.65079758  0.96525708
   0.51392048  0.68025736  0.90092781
   0.65124765  0.83709260  0.55803290
   0.58616654  0.81189340  0.36653421
   0.85342479  0.25122817  0.08439505
   1.00130029  0.41769112  0.31892219
   0.32549048  0.13537710  0.62324708
   0.29006256  0.82376099  0.78470817
   0.01666319  1.14323003  0.13699604
   0.21705762  1.05644062  0.00528156
   0.66316490  0.37222213  0.86703843
   0.88369821  0.45095088  0.64763052
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947589    0.137372   -0.129058
    -0.000000    9.837397   -0.090265
    -0.000000    0.000000   14.006933
   Si   O    H 
    32    64    10
Direct configuration=  1608
   0.18077408  0.18403930 -0.04299777
   0.36673140  0.07884968  0.37244782
   0.15246901  0.40421383  0.12536754
   0.39826551  0.34570931  0.25454423
   0.10293017  0.15764067  0.47439998
   0.42750581  0.15487275  0.85272513
   0.12533273  0.40537626  0.62476570
   0.37366350  0.38984961  0.75138298
   0.13109821  0.67176304  0.00813838
   0.40386205  0.58832913  0.35759447
   0.07098301  0.90597446  0.14302449
   0.33385448  0.83337663  0.24413085
   0.18487812  0.63921206  0.50128687
   0.35703803  0.65310970  0.86062097
   0.05777408  0.90588620  0.60597651
   0.33018094  1.00942233  0.68551424
   0.64057075  0.14513602  1.01196153
   0.86120116  0.12709264  0.35505216
   0.62605633  0.43049955  0.11968185
   0.85674953  0.31268051  0.17879929
   0.62273071  0.17262841  0.49884485
   0.88749703  0.10955176  0.86853911
   0.59397171  0.44827968  0.61938805
   0.76760514  0.35704033  0.80116568
   0.61232645  0.68113930 -0.00460445
   0.91319289  0.59618146  0.38828493
   0.58941718  0.92242029  0.14219260
   0.83152475  0.85940725  0.27088479
   0.64823117  0.64380599  0.45719496
   0.88057755  0.60939129  0.88357268
   0.60664592  0.92858997  0.62391153
   0.83747274  0.84914593  0.74800710
   0.09174792  0.07209485  0.13268990
   0.39638353  0.18263558  0.27564390
   0.15315449  0.31192969  0.02629997
   0.35937448  0.42394376  0.35472410
   0.54033771  0.39516509  0.21738985
   0.28868423  0.37220135  0.17554398
   0.23515357  0.10969663  0.43237244
   0.01403076  0.18935995  0.38020838
   0.03468274  0.04083370  0.53947232
   0.48573268  0.27556156  0.78653408
   0.11887455  0.28466195  0.55304524
   0.33912151  0.49135599  0.84454648
   0.44975030  0.46031376  0.66851844
   0.22453796  0.33911577  0.71215194
   0.29578079  0.23899864 -0.10524045
   0.02903875  0.15267956  0.90485959
   0.12879633  0.56109866  0.10309870
   0.38073229  0.67060862  0.25894952
   0.11132265  0.83307244  0.04321408
   0.37449121  0.92000062  0.33753543
   0.42965056  0.89596063  0.15901824
   0.17711330  0.85973135  0.22816900
   0.32851097  0.65623794  0.45141413
   0.07340708  0.61634749  0.40866969
   0.21626068  0.52685700  0.58329826
   0.30178094  0.73187091  0.76506911
   0.12753605  0.77414927  0.55107252
   0.39734068  1.02017663  0.79664145
   0.44050407  0.91608498  0.62628742
   0.17744121  0.94147962  0.67928567
   0.26737052  0.69259907 -0.04719298
   0.02383686  0.64838851  0.92693347
   0.63723240  0.06974334  0.11503481
   0.82851280  0.18415767  0.24434878
   0.61458895  0.30783834  0.04512142
   0.91770814  0.44482556  0.34715848
   0.02115973  0.34090367  0.18441833
   0.77677132  0.45574313  0.16259956
   0.74246582  0.19165372  0.41898854
   0.49493620  0.10660403  0.44502273
   0.65716011  0.07416662  0.59057606
   0.82548962  0.20221895  0.77869142
   0.59803695  0.31550489  0.55317121
   0.87925878  0.45186698  0.84899341
   0.97329646  0.44570868  0.66697840
   0.72011775  0.42063299  0.69855558
   0.78919409  0.11601150  0.96270985
   0.52045440  0.10580017  0.94067820
   0.56203729  0.57825481  0.08174538
   0.84436958  0.70366674  0.31228833
   0.61749460  0.83525260  0.04145070
   0.88171957  0.95481805  0.35698378
   0.91832665  0.89635657  0.17744423
   0.66956564  0.87981080  0.23957399
   0.80705342  0.59642726  0.47205390
   0.56732895  0.56528515  0.37243138
   0.59530856  0.60109609  0.56442717
   0.86421227  0.70047794  0.78688779
   0.60905302  0.80621854  0.43138483
   0.89738670  0.94694832  0.83298302
   0.91952475  0.85318962  0.65015332
   0.67242944  0.89132821  0.72912740
   0.76561210  0.65170853  0.96545336
   0.51488536  0.67984720  0.90134962
   0.65944503  0.83529198  0.55591777
   0.58548013  0.80904225  0.36422308
   0.84639100  0.25054864  0.08446564
   1.00480556  0.42112425  0.31695044
   0.32612501  0.13317212  0.62864986
   0.29095159  0.82357380  0.78420491
   0.02209478  1.13430902  0.13513420
   0.22103896  1.05628729  0.00479728
   0.65978726  0.37853307  0.86973158
   0.87972778  0.45238440  0.64561511
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946312    0.137572   -0.128200
    -0.000000    9.838263   -0.094153
    -0.000000    0.000000   14.007641
   Si   O    H 
    32    64    10
Direct configuration=  1609
   0.18053048  0.18427289 -0.04278821
   0.36752852  0.07836594  0.37192141
   0.15243368  0.40390960  0.12564522
   0.39853634  0.34575873  0.25478399
   0.10283355  0.15782807  0.47465286
   0.42733078  0.15511347  0.85200194
   0.12527590  0.40571474  0.62499220
   0.37302981  0.38932239  0.75193973
   0.13241564  0.67281592  0.00846939
   0.40505973  0.58722136  0.35817405
   0.07287333  0.90570142  0.14330850
   0.33372787  0.83154331  0.24431015
   0.18731219  0.63893316  0.50070695
   0.35772453  0.65427868  0.86034929
   0.05714680  0.90518410  0.60554134
   0.32944691  1.00998044  0.68544857
   0.64142139  0.14542807  1.01214363
   0.86117310  0.12567439  0.35561829
   0.62590714  0.43093821  0.11921171
   0.85702027  0.31177752  0.17913085
   0.62157534  0.17347357  0.49937290
   0.88694074  0.11015963  0.86921596
   0.59397400  0.44769813  0.62058054
   0.76809565  0.35818517  0.80115653
   0.61146859  0.68100881 -0.00451426
   0.91298732  0.59644106  0.38816825
   0.59057366  0.92214286  0.14220833
   0.83187959  0.85857519  0.27110990
   0.65017835  0.64266101  0.45827907
   0.88104130  0.60993453  0.88380759
   0.60602773  0.92831989  0.62460079
   0.83780488  0.84847067  0.74789816
   0.09112078  0.07256492  0.13301640
   0.39404990  0.18330875  0.27556097
   0.15305890  0.31033054  0.02520836
   0.35900361  0.42422593  0.35485655
   0.53958964  0.39610678  0.21737130
   0.28823578  0.37222970  0.17601885
   0.23520876  0.11150208  0.43150485
   0.01396975  0.18809495  0.38078566
   0.03369008  0.04126972  0.53983998
   0.48657760  0.27506816  0.78567126
   0.11935394  0.28554346  0.55310994
   0.34178798  0.49225773  0.84406067
   0.44876194  0.46121991  0.66920610
   0.22477189  0.33927024  0.71256603
   0.29625444  0.23823573 -0.10435685
   0.02809165  0.15173105  0.90388925
   0.12813439  0.56196393  0.10351161
   0.37942237  0.67119652  0.25840554
   0.11247015  0.83180797  0.04393820
   0.37369627  0.92116101  0.33824141
   0.42953255  0.89575439  0.16077637
   0.17441268  0.86087038  0.22830974
   0.32951402  0.65611386  0.45248632
   0.07174258  0.61578975  0.40853346
   0.21845744  0.52574524  0.58339202
   0.30129587  0.73034362  0.76459713
   0.12677696  0.77441982  0.55093107
   0.39847876  1.02073024  0.79713430
   0.44173454  0.91581065  0.62488888
   0.17626588  0.94090313  0.67965266
   0.26804042  0.69429339 -0.04636793
   0.02539654  0.64665718  0.92758762
   0.63639242  0.07044994  0.11519680
   0.82962836  0.18238529  0.24523161
   0.61497127  0.30567013  0.04556634
   0.91742454  0.44443066  0.34718758
   0.02051022  0.34194661  0.18538795
   0.77744342  0.45617235  0.16326260
   0.74552197  0.19177171  0.42006928
   0.49511334  0.10799429  0.44428673
   0.65665037  0.07228396  0.59067243
   0.82738120  0.20308004  0.77741788
   0.59763217  0.31556097  0.55252403
   0.87819109  0.45132880  0.84956352
   0.97328551  0.44360505  0.66618797
   0.71880043  0.42094396  0.69869343
   0.78853137  0.11506873  0.96351472
   0.52029628  0.10476726  0.94066238
   0.56306999  0.57751850  0.08005168
   0.84591925  0.70428030  0.31101484
   0.61824527  0.83317475  0.04123128
   0.88317996  0.95307092  0.35786869
   0.91709268  0.89557482  0.17749348
   0.67032099  0.87976761  0.24048951
   0.80660153  0.59810689  0.47325867
   0.56770850  0.56711387  0.37201318
   0.59557408  0.60165608  0.56444219
   0.86370438  0.69986624  0.78621406
   0.60632038  0.80596869  0.43063243
   0.89832306  0.94544933  0.83217534
   0.92020653  0.85435086  0.64917578
   0.67284592  0.89122019  0.73058314
   0.76477344  0.65173199  0.96547358
   0.51586370  0.67925467  0.90149080
   0.66868308  0.83346511  0.55336732
   0.58648550  0.80716480  0.35933456
   0.84048485  0.24675467  0.08452825
   1.00515265  0.42365299  0.31680461
   0.32589170  0.13439972  0.63599179
   0.28695177  0.82930330  0.78566315
   0.01641536  1.13422510  0.13526762
   0.22613322  1.05527865  0.00227070
   0.65556191  0.38406634  0.87289213
   0.87918851  0.45385831  0.64121301
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945298    0.138168   -0.126959
    -0.000000    9.838879   -0.098110
    -0.000000    0.000000   14.008241
   Si   O    H 
    32    64    10
Direct configuration=  1610
   0.18038163  0.18443596 -0.04229390
   0.36895784  0.07800348  0.37183359
   0.15202929  0.40326033  0.12541997
   0.39920722  0.34591164  0.25470745
   0.10235733  0.15862295  0.47530162
   0.42704088  0.15528013  0.85136970
   0.12527906  0.40629135  0.62549697
   0.37198148  0.38870487  0.75263430
   0.13402743  0.67428001  0.00869287
   0.40607281  0.58629606  0.35895514
   0.07432310  0.90600676  0.14387890
   0.33387117  0.82999421  0.24412767
   0.18909660  0.63921781  0.50031957
   0.35818247  0.65545454  0.86029768
   0.05674753  0.90427736  0.60487384
   0.32848137  1.00990415  0.68508205
   0.64297382  0.14547805  1.01230915
   0.86089228  0.12489422  0.35599406
   0.62585971  0.43094329  0.11902717
   0.85712568  0.31107185  0.17924570
   0.62139116  0.17390292  0.49959202
   0.88597566  0.11000976  0.86946522
   0.59414065  0.44768722  0.62180053
   0.76803250  0.35898379  0.80129351
   0.61061878  0.68117061 -0.00425261
   0.91323789  0.59696690  0.38791166
   0.59075563  0.92146929  0.14183468
   0.83228428  0.85760779  0.27104494
   0.65233641  0.64115925  0.45921252
   0.88211638  0.61123898  0.88372016
   0.60561920  0.92796133  0.62538754
   0.83703335  0.84833882  0.74789454
   0.09104345  0.07264001  0.13411426
   0.39222785  0.18417220  0.27590821
   0.15301691  0.30978777  0.02476413
   0.35855956  0.42460062  0.35522779
   0.53879525  0.39682835  0.21702490
   0.28817853  0.37253010  0.17692878
   0.23659066  0.11222050  0.43105030
   0.01362160  0.18758255  0.38117784
   0.03315930  0.04243283  0.53942193
   0.48735429  0.27442523  0.78517305
   0.11956015  0.28515721  0.55256443
   0.34429680  0.49395871  0.84361479
   0.44780868  0.46330817  0.66951153
   0.22594697  0.34028071  0.71279312
   0.29769841  0.23678718 -0.10402425
   0.02789090  0.15130061  0.90368334
   0.12808230  0.56278575  0.10335596
   0.37857751  0.67143694  0.25842258
   0.11347431  0.83007450  0.04492856
   0.37269887  0.92165605  0.33810675
   0.42998167  0.89593300  0.16220146
   0.17164250  0.86157675  0.22863824
   0.33092690  0.65556147  0.45282454
   0.07103707  0.61575840  0.40879951
   0.22044095  0.52381072  0.58302341
   0.30046550  0.72930915  0.76440189
   0.12532425  0.77502974  0.55107322
   0.39947962  1.02023653  0.79703905
   0.44287131  0.91563514  0.62374945
   0.17628982  0.93999453  0.67997581
   0.26885568  0.69544280 -0.04518169
   0.02624033  0.64436920  0.92792578
   0.63499935  0.07123330  0.11539770
   0.83019226  0.18133053  0.24636285
   0.61560027  0.30310743  0.04620093
   0.91684858  0.44343246  0.34703983
   0.02070291  0.34347744  0.18622727
   0.77763698  0.45607646  0.16311908
   0.74860049  0.19206166  0.42171662
   0.49510084  0.10947484  0.44345124
   0.65594161  0.07171984  0.59070677
   0.82888166  0.20353669  0.77596164
   0.59679768  0.31513488  0.55191255
   0.87774680  0.45095366  0.85029146
   0.97408994  0.44201767  0.66514838
   0.71680825  0.42148164  0.69810788
   0.78781927  0.11454902  0.96424214
   0.52055413  0.10350902  0.94069325
   0.56476889  0.57647163  0.07792184
   0.84700154  0.70446744  0.30957121
   0.61956527  0.83094904  0.04133086
   0.88400019  0.95209107  0.35803663
   0.91580447  0.89474000  0.17743161
   0.67144967  0.87979756  0.24120653
   0.80548514  0.60083489  0.47382137
   0.56823506  0.56874359  0.37208765
   0.59608096  0.60107088  0.56462919
   0.86276549  0.69967556  0.78593293
   0.60369568  0.80551394  0.42980597
   0.89810599  0.94479212  0.83122950
   0.92083164  0.85544450  0.64808618
   0.67369078  0.89171375  0.73164671
   0.76495470  0.65150337  0.96565730
   0.51589848  0.67835152  0.90169733
   0.67494328  0.83826900  0.55554479
   0.58931910  0.80749593  0.35991222
   0.83334187  0.24112556  0.08670239
   1.00364215  0.42586737  0.31896605
   0.32337330  0.14207373  0.64383923
   0.28188342  0.82638065  0.78510165
   0.00620190  1.14062181  0.13587662
   0.23378482  1.05524756 -0.00270586
   0.65491193  0.38428102  0.87575520
   0.88075233  0.45362795  0.63915016
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944140    0.139368   -0.126189
    -0.000000    9.839531   -0.101917
    -0.000000    0.000000   14.009246
   Si   O    H 
    32    64    10
Direct configuration=  1611
   0.17984456  0.18440193 -0.04198061
   0.37065685  0.07806752  0.37146334
   0.15151019  0.40250685  0.12487089
   0.39930054  0.34566943  0.25500226
   0.10142208  0.15951636  0.47553872
   0.42664845  0.15565386  0.85123555
   0.12531576  0.40673220  0.62598117
   0.37096484  0.38812957  0.75340686
   0.13525311  0.67593959  0.00881241
   0.40691286  0.58504043  0.36035355
   0.07576498  0.90631037  0.14406893
   0.33383086  0.82877427  0.24402391
   0.19034275  0.63900705  0.50016524
   0.35800636  0.65640179  0.86067359
   0.05626512  0.90365935  0.60375883
   0.32812552  1.00952668  0.68463324
   0.64514434  0.14556055  1.01250499
   0.86104444  0.12431908  0.35631700
   0.62583087  0.43070307  0.11921086
   0.85810419  0.30999739  0.17920487
   0.62186407  0.17424797  0.49945027
   0.88466878  0.10930102  0.86949664
   0.59477597  0.44836847  0.62298814
   0.76798441  0.35963597  0.80122055
   0.61005263  0.68117264 -0.00352859
   0.91347230  0.59737909  0.38741750
   0.59106226  0.92068236  0.14161915
   0.83283455  0.85653372  0.27059101
   0.65357313  0.64014003  0.46058093
   0.88286385  0.61256415  0.88354890
   0.60518966  0.92720484  0.62627084
   0.83640163  0.84808124  0.74764816
   0.09115947  0.07348377  0.13520705
   0.39066031  0.18506655  0.27698941
   0.15288442  0.31016537  0.02444398
   0.35723711  0.42446509  0.35533608
   0.53800343  0.39738144  0.21662252
   0.28845040  0.37312004  0.17804365
   0.23863040  0.11305896  0.43076537
   0.01216249  0.18742131  0.38159613
   0.03221689  0.04344667  0.53863991
   0.48799128  0.27371907  0.78370900
   0.11929915  0.28384485  0.55114381
   0.34725543  0.49554483  0.84327680
   0.44672188  0.46556156  0.66957116
   0.22700210  0.34111733  0.71211678
   0.29975231  0.23593124 -0.10402514
   0.02872848  0.15038482  0.90350825
   0.12753477  0.56387415  0.10278847
   0.37756885  0.67250226  0.25892433
   0.11373264  0.82915173  0.04564555
   0.37114429  0.92206354  0.33813908
   0.43008509  0.89618357  0.16393514
   0.17029089  0.86117735  0.22977129
   0.33236580  0.65539776  0.45295363
   0.07049686  0.61555421  0.40942349
   0.22226225  0.52158440  0.58242009
   0.29996742  0.72856075  0.76429286
   0.12428056  0.77548723  0.55168040
   0.39920196  1.01906908  0.79724026
   0.44278773  0.91516170  0.62262790
   0.17697888  0.93882613  0.68049044
   0.26971741  0.69688249 -0.04446780
   0.02653452  0.64189681  0.92816154
   0.63330706  0.07152971  0.11577521
   0.82954883  0.18057792  0.24757713
   0.61582078  0.30022958  0.04658631
   0.91592466  0.44170885  0.34623245
   0.02066867  0.34438258  0.18654125
   0.77804981  0.45637302  0.16321377
   0.75068288  0.19275522  0.42340873
   0.49547868  0.11113196  0.44239431
   0.65579225  0.07124893  0.59048922
   0.82979731  0.20323913  0.77540136
   0.59576820  0.31486401  0.55129590
   0.87818409  0.45155247  0.85137905
   0.97498568  0.44153014  0.66423104
   0.71506097  0.42316370  0.69768650
   0.78686438  0.11419940  0.96431525
   0.52096753  0.10226584  0.94124961
   0.56720617  0.57411510  0.07609400
   0.84714087  0.70459633  0.30823705
   0.62048933  0.82963279  0.04138583
   0.88466245  0.95131064  0.35855653
   0.91445082  0.89284201  0.17785113
   0.67218216  0.87941759  0.24217372
   0.80496032  0.60343460  0.47443331
   0.56933178  0.57084059  0.37262727
   0.59648636  0.60041977  0.56465764
   0.86165269  0.69836770  0.78583967
   0.60155085  0.80491627  0.42859528
   0.89812844  0.94456033  0.83016018
   0.92182249  0.85690848  0.64788300
   0.67457285  0.89176194  0.73267469
   0.76441436  0.65126209  0.96537355
   0.51528975  0.67811496  0.90138196
   0.68141648  0.84304123  0.56092890
   0.59621423  0.81166704  0.36111378
   0.83201953  0.23905856  0.09308661
   1.00458511  0.42657411  0.31985791
   0.32177768  0.15046149  0.64898805
   0.27716512  0.81618486  0.78265650
   0.00718417  1.13668351  0.13623630
   0.24146509  1.05649432 -0.00611978
   0.65701516  0.37812108  0.87539008
   0.88415934  0.45435159  0.63914632
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942938    0.140484   -0.125130
    -0.000000    9.840016   -0.105916
    -0.000000    0.000000   14.010207
   Si   O    H 
    32    64    10
Direct configuration=  1612
   0.17911625  0.18434740 -0.04146867
   0.37255652  0.07834278  0.37111890
   0.15063031  0.40163150  0.12371483
   0.39896765  0.34515857  0.25566294
   0.10021994  0.16112214  0.47678682
   0.42659657  0.15563532  0.85156344
   0.12506281  0.40621928  0.62616157
   0.36981457  0.38723409  0.75422992
   0.13596007  0.67692082  0.00954675
   0.40735826  0.58338040  0.36198637
   0.07630599  0.90719050  0.14428270
   0.33372035  0.82845443  0.24405563
   0.19106822  0.63948530  0.50044584
   0.35779604  0.65758871  0.86159115
   0.05624127  0.90327555  0.60266294
   0.32788139  1.00936461  0.68402615
   0.64667629  0.14575592  1.01293622
   0.86122892  0.12402973  0.35657358
   0.62532119  0.43006114  0.11955872
   0.85923612  0.30976413  0.17904229
   0.62201842  0.17445429  0.49923211
   0.88354114  0.10858390  0.86898125
   0.59482301  0.44878279  0.62404370
   0.76762286  0.36006463  0.80085908
   0.60972259  0.68128328 -0.00326936
   0.91411083  0.59805092  0.38704646
   0.59185204  0.92078771  0.14130809
   0.83308683  0.85614385  0.26991969
   0.65428950  0.63932873  0.46160797
   0.88350513  0.61373526  0.88343008
   0.60520284  0.92569263  0.62694532
   0.83572389  0.84826488  0.74788718
   0.09101643  0.07455898  0.13600363
   0.38870351  0.18590915  0.27792003
   0.15245984  0.31178081  0.02424894
   0.35535531  0.42510494  0.35513471
   0.53733330  0.39806044  0.21636669
   0.28932397  0.37326302  0.17911455
   0.24099866  0.11347056  0.43032002
   0.01050442  0.18697542  0.38255578
   0.03147649  0.04491498  0.53808758
   0.48847436  0.27304301  0.78205423
   0.11904227  0.28267216  0.54980931
   0.34990495  0.49647579  0.84255655
   0.44633365  0.46776005  0.66910442
   0.22682598  0.34278504  0.71165497
   0.30171044  0.23548601 -0.10483634
   0.03041018  0.14984378  0.90330880
   0.12788675  0.56516620  0.10192551
   0.37545330  0.67373968  0.25996854
   0.11381296  0.82933307  0.04618818
   0.36843383  0.92161775  0.33826491
   0.43062858  0.89686997  0.16549689
   0.16965451  0.86049815  0.23111289
   0.33350152  0.65545395  0.45232765
   0.06993221  0.61554180  0.41041951
   0.22315833  0.51961308  0.58160358
   0.29925466  0.72721879  0.76415920
   0.12378693  0.77535792  0.55173861
   0.39880399  1.01703347  0.79710014
   0.44222764  0.91489539  0.62174557
   0.17813721  0.93818940  0.68069529
   0.27097650  0.69838616 -0.04452924
   0.02551141  0.64063715  0.92890881
   0.63154121  0.07192346  0.11580864
   0.82888678  0.17950234  0.24906935
   0.61592558  0.29821453  0.04654982
   0.91489474  0.43975646  0.34543589
   0.02102592  0.34514035  0.18676104
   0.77859589  0.45583822  0.16377745
   0.75207418  0.19375403  0.42465211
   0.49519435  0.11180569  0.44184468
   0.65576329  0.07155847  0.59049665
   0.82996981  0.20269816  0.77525866
   0.59470190  0.31573424  0.55053508
   0.87947688  0.45277145  0.85200656
   0.97606373  0.44148285  0.66334608
   0.71322249  0.42481246  0.69752150
   0.78599909  0.11467606  0.96456113
   0.52087141  0.10148459  0.94164597
   0.56866766  0.57081575  0.07483497
   0.84777362  0.70433409  0.30752712
   0.62125626  0.82890521  0.04232764
   0.88486393  0.95202414  0.35903249
   0.91369139  0.89116184  0.17767416
   0.67280299  0.87944834  0.24304379
   0.80587721  0.60629026  0.47463032
   0.57081789  0.57240212  0.37291506
   0.59693024  0.59877175  0.56484576
   0.86077982  0.69718347  0.78586351
   0.60021178  0.80395807  0.42761615
   0.89801192  0.94520524  0.82895225
   0.92196845  0.85792370  0.64720241
   0.67619201  0.89213502  0.73346276
   0.76387850  0.65084508  0.96558134
   0.51465958  0.67867259  0.90138812
   0.68508632  0.84596357  0.56546583
   0.60347166  0.81964862  0.35939050
   0.83107802  0.23579456  0.09787132
   1.00632450  0.42281528  0.32036664
   0.32017877  0.15997499  0.65404990
   0.26836003  0.81904531  0.78040639
   0.02224212  1.12576371  0.13802790
   0.24580517  1.05712108 -0.00980978
   0.65900681  0.37399871  0.87159664
   0.89013062  0.45549327  0.63587666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941751    0.141986   -0.124662
    -0.000000    9.840574   -0.109877
    -0.000000    0.000000   14.011427
   Si   O    H 
    32    64    10
Direct configuration=  1613
   0.17846756  0.18382214 -0.04097993
   0.37393755  0.07904855  0.37125441
   0.14991646  0.40114325  0.12230974
   0.39914905  0.34481838  0.25642623
   0.09879252  0.16246054  0.47792511
   0.42726605  0.15536995  0.85181259
   0.12437066  0.40545683  0.62634530
   0.36842156  0.38707461  0.75484576
   0.13664689  0.67778224  0.01034060
   0.40800242  0.58191826  0.36394639
   0.07674830  0.90889570  0.14427606
   0.33379714  0.82843711  0.24449023
   0.19131271  0.63951716  0.50097701
   0.35816257  0.65871369  0.86271426
   0.05601672  0.90281967  0.60156830
   0.32785085  1.00945177  0.68317430
   0.64801655  0.14641577  1.01375356
   0.86117804  0.12327287  0.35654374
   0.62513438  0.42976715  0.12051262
   0.86003216  0.30981460  0.17929514
   0.62255254  0.17435271  0.49909388
   0.88265736  0.10744879  0.86854569
   0.59411958  0.44990216  0.62445531
   0.76720083  0.36030427  0.80045783
   0.60887500  0.68134686 -0.00362319
   0.91469820  0.59897534  0.38681802
   0.59203460  0.92034374  0.14124081
   0.83367917  0.85615870  0.27022811
   0.65423029  0.63952449  0.46204017
   0.88370088  0.61514044  0.88360981
   0.60523246  0.92453205  0.62720730
   0.83559858  0.84840239  0.74759617
   0.09328266  0.07390314  0.13642629
   0.38720403  0.18563240  0.27821020
   0.15217989  0.31381393  0.02414307
   0.35366260  0.42668198  0.35494437
   0.53718160  0.39922402  0.21575149
   0.28945310  0.37375253  0.17952228
   0.24312004  0.11335688  0.43007307
   0.00850752  0.18665261  0.38369241
   0.03090969  0.04620940  0.53832077
   0.48906961  0.27292380  0.78101781
   0.11949231  0.28186373  0.54845558
   0.35184427  0.49665213  0.84146133
   0.44636637  0.47022180  0.66827760
   0.22572304  0.34381879  0.71191262
   0.30325019  0.23591593 -0.10578534
   0.03245498  0.14903063  0.90307428
   0.12864566  0.56603343  0.10050540
   0.37380302  0.67418380  0.26115111
   0.11319324  0.82975284  0.04698078
   0.36570268  0.92172481  0.33839436
   0.43210762  0.89755273  0.16676126
   0.16900535  0.86023756  0.23252824
   0.33453332  0.65511746  0.45120465
   0.06960717  0.61469563  0.41115190
   0.22334655  0.51817333  0.58029829
   0.29903134  0.72539172  0.76427123
   0.12349322  0.77550870  0.55159338
   0.39878120  1.01491814  0.79682307
   0.44149355  0.91415065  0.62099045
   0.18011754  0.93819953  0.68092180
   0.27160990  0.69984412 -0.04420628
   0.02389030  0.63917331  0.92937234
   0.62946411  0.07235650  0.11580055
   0.82767385  0.17891234  0.25016081
   0.61610249  0.29654896  0.04664706
   0.91438336  0.43879286  0.34510257
   0.02175292  0.34688648  0.18685028
   0.77941228  0.45538270  0.16383490
   0.75316951  0.19362147  0.42588589
   0.49484823  0.11237894  0.44101574
   0.65637203  0.07180322  0.59023166
   0.82995310  0.20217224  0.77549655
   0.59338628  0.31720990  0.54939597
   0.88183172  0.45438557  0.85214448
   0.97701160  0.44118771  0.66241363
   0.71211019  0.42589092  0.69663604
   0.78577248  0.11437088  0.96505622
   0.52097047  0.10068813  0.94196142
   0.56923808  0.56820935  0.07339168
   0.84864053  0.70440442  0.30704670
   0.62177877  0.82890023  0.04320246
   0.88442744  0.95273778  0.35933832
   0.91377917  0.88985294  0.17748769
   0.67326516  0.87983177  0.24366393
   0.80705251  0.60887748  0.47477194
   0.57271808  0.57333618  0.37319359
   0.59769103  0.59643374  0.56580827
   0.86002697  0.69545605  0.78576429
   0.59888764  0.80248742  0.42716337
   0.89818755  0.94652496  0.82725882
   0.92199365  0.85912712  0.64661657
   0.67775165  0.89266297  0.73412062
   0.76385064  0.65021152  0.96563662
   0.51406622  0.68097995  0.90168908
   0.68872728  0.84343313  0.56894420
   0.60836948  0.82626295  0.35872634
   0.82992162  0.23279318  0.09724018
   1.00721784  0.42237760  0.32304722
   0.31959189  0.16386116  0.65897572
   0.25787067  0.82534093  0.77726211
   0.01134138  1.13779491  0.14021516
   0.24884731  1.05638755 -0.00984032
   0.66066495  0.36612097  0.86639920
   0.88944111  0.45404069  0.63096744
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939892    0.142810   -0.124773
    -0.000000    9.841083   -0.113501
    -0.000000    0.000000   14.012447
   Si   O    H 
    32    64    10
Direct configuration=  1614
   0.17753485  0.18345751 -0.04092331
   0.37490296  0.07969335  0.37117925
   0.14861648  0.40069758  0.12089750
   0.39901311  0.34467618  0.25730895
   0.09827527  0.16292689  0.47870546
   0.42757063  0.15489030  0.85199360
   0.12429445  0.40457566  0.62667265
   0.36745291  0.38733115  0.75501204
   0.13675647  0.67830816  0.01154262
   0.40808977  0.58091303  0.36543751
   0.07669524  0.91027716  0.14455408
   0.33382291  0.82818192  0.24525219
   0.19078213  0.63899969  0.50140046
   0.35886891  0.65929875  0.86341141
   0.05571772  0.90283935  0.60050580
   0.32818180  1.00973405  0.68242084
   0.64820890  0.14674088  1.01422415
   0.86153531  0.12282007  0.35691087
   0.62485153  0.42957914  0.12123065
   0.86098551  0.31054826  0.17936383
   0.62255369  0.17353530  0.49892061
   0.88163268  0.10687658  0.86785764
   0.59266534  0.45085323  0.62482080
   0.76738670  0.36009759  0.79953387
   0.60793230  0.68128523 -0.00444541
   0.91522922  0.59967026  0.38701017
   0.59180383  0.91929989  0.14141702
   0.83339560  0.85638802  0.27065326
   0.65360579  0.64014276  0.46200043
   0.88350396  0.61706769  0.88373676
   0.60555278  0.92326340  0.62771569
   0.83516517  0.84904248  0.74681944
   0.09497811  0.07324215  0.13677838
   0.38602805  0.18436594  0.27855296
   0.15147976  0.31665644  0.02497701
   0.35223059  0.42857530  0.35495431
   0.53835532  0.40020181  0.21521613
   0.28971074  0.37438173  0.17940236
   0.24394145  0.11267713  0.42947640
   0.00736177  0.18673503  0.38455318
   0.03006292  0.04762320  0.53857015
   0.48887912  0.27209557  0.78004478
   0.11974103  0.28247935  0.54722684
   0.35409159  0.49681816  0.84012455
   0.44583670  0.47253354  0.66747748
   0.22472572  0.34525229  0.71139205
   0.30472925  0.23660134 -0.10666754
   0.03409445  0.14831892  0.90305631
   0.12949400  0.56621172  0.09886327
   0.37189764  0.67423754  0.26256013
   0.11281364  0.83086457  0.04780404
   0.36301486  0.92180439  0.33857699
   0.43346749  0.89793929  0.16784598
   0.16898634  0.85933252  0.23393598
   0.33539906  0.65548174  0.44997527
   0.07039964  0.61486384  0.41188722
   0.22323407  0.51789460  0.57921479
   0.29891786  0.72453396  0.76450571
   0.12385387  0.77601848  0.55164325
   0.39890313  1.01261697  0.79644524
   0.44050038  0.91375249  0.62075244
   0.18204187  0.93853982  0.68052058
   0.27230758  0.70084139 -0.04395563
   0.02308358  0.63772318  0.92965959
   0.62783696  0.07321183  0.11605095
   0.82635541  0.17922603  0.25150132
   0.61671824  0.29572422  0.04706544
   0.91367992  0.43918567  0.34448851
   0.02280047  0.34819284  0.18692264
   0.77923969  0.45492399  0.16432368
   0.75452519  0.19313872  0.42753450
   0.49563032  0.11317665  0.44087644
   0.65673200  0.07185301  0.58969760
   0.82902295  0.20131559  0.77594953
   0.59202102  0.31939271  0.54863773
   0.88497457  0.45539710  0.85275674
   0.97702758  0.44082134  0.66146574
   0.71235457  0.42751479  0.69627369
   0.78561771  0.11335759  0.96512475
   0.52181723  0.10067345  0.94194288
   0.57034071  0.56525022  0.07195640
   0.84905963  0.70503824  0.30701690
   0.62159234  0.82992278  0.04505585
   0.88433739  0.95424869  0.35962551
   0.91518633  0.88822054  0.17686999
   0.67410512  0.87963095  0.24382702
   0.80848874  0.61142965  0.47485676
   0.57446957  0.57432375  0.37355867
   0.59861881  0.59427102  0.56697431
   0.86002286  0.69365854  0.78610615
   0.59855062  0.80115247  0.42644194
   0.89770984  0.94807553  0.82581237
   0.92221125  0.86055621  0.64674088
   0.67845103  0.89381019  0.73536995
   0.76424460  0.64891888  0.96515420
   0.51360162  0.68285477  0.90229172
   0.69186973  0.83496746  0.57216973
   0.61312528  0.82976106  0.35976954
   0.83178279  0.22880942  0.09259650
   1.00620954  0.41918462  0.32594558
   0.32380361  0.15973188  0.66427601
   0.25409309  0.81912182  0.77265537
   0.01030324  1.14265521  0.14192178
   0.25112451  1.05799591 -0.00747855
   0.65570212  0.36199058  0.86484967
   0.89203275  0.45420477  0.62704441
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938015    0.143742   -0.124499
    -0.000000    9.841143   -0.117229
    -0.000000    0.000000   14.013390
   Si   O    H 
    32    64    10
Direct configuration=  1615
   0.17654757  0.18293632 -0.04103227
   0.37504312  0.08001549  0.37058650
   0.14701516  0.39997283  0.11995456
   0.39889413  0.34411477  0.25837581
   0.09772311  0.16264798  0.47893739
   0.42866740  0.15495350  0.85243341
   0.12471426  0.40387123  0.62685052
   0.36684699  0.38747628  0.75496994
   0.13671596  0.67880098  0.01268121
   0.40863186  0.58029891  0.36636594
   0.07681461  0.91129850  0.14524814
   0.33360813  0.82821351  0.24550019
   0.18968751  0.63887616  0.50202368
   0.35890861  0.66019394  0.86413949
   0.05490906  0.90302860  0.59947059
   0.32881707  1.00987049  0.68203652
   0.64765782  0.14670906  1.01509262
   0.86234630  0.12284380  0.35731359
   0.62445756  0.42889517  0.12235211
   0.86269155  0.31130659  0.17925066
   0.62253631  0.17277669  0.49861487
   0.88096695  0.10642785  0.86742414
   0.59107329  0.45245892  0.62496504
   0.76817164  0.35920933  0.79879070
   0.60745805  0.68139009 -0.00514227
   0.91590275  0.60030156  0.38729488
   0.59151224  0.91815565  0.14146539
   0.83354501  0.85627827  0.27138781
   0.65229374  0.64122594  0.46169388
   0.88233623  0.61826936  0.88377033
   0.60594613  0.92228269  0.62816819
   0.83433589  0.84891435  0.74577124
   0.09567578  0.07365635  0.13646263
   0.38446840  0.18355028  0.27972263
   0.15104112  0.31845615  0.02574067
   0.35149106  0.43080335  0.35495106
   0.53963476  0.40080351  0.21465918
   0.28894099  0.37530960  0.17955393
   0.24437967  0.11259214  0.42927557
   0.00630684  0.18653271  0.38602335
   0.02882154  0.04802058  0.53956035
   0.48834122  0.27070030  0.77927632
   0.12015982  0.28370869  0.54623459
   0.35637578  0.49660838  0.83910550
   0.44555498  0.47453446  0.66612882
   0.22355680  0.34648669  0.71051675
   0.30561546  0.23755796 -0.10747404
   0.03538693  0.14785039  0.90272810
   0.12977155  0.56627840  0.09797158
   0.37031074  0.67385206  0.26474602
   0.11222176  0.83225805  0.04879251
   0.36102918  0.92162994  0.33854622
   0.43382968  0.89938110  0.16931625
   0.16839403  0.85853596  0.23524823
   0.33559137  0.65611165  0.44917032
   0.07134274  0.61559144  0.41257155
   0.22235339  0.51768042  0.57781347
   0.29869961  0.72568211  0.76492677
   0.12532354  0.77652663  0.55163380
   0.39874746  1.00992336  0.79592598
   0.44003055  0.91352963  0.62095248
   0.18402062  0.93851363  0.68017552
   0.27314824  0.70177506 -0.04360544
   0.02349310  0.63669618  0.93049850
   0.62682849  0.07362862  0.11654494
   0.82539112  0.17976608  0.25238214
   0.61709322  0.29597794  0.04755069
   0.91261464  0.44055541  0.34427895
   0.02354158  0.35006466  0.18705243
   0.77836335  0.45421896  0.16465120
   0.75555053  0.19181684  0.42897781
   0.49587080  0.11357454  0.44116201
   0.65771575  0.07090021  0.58950341
   0.82889492  0.20155194  0.77645988
   0.59079926  0.32155912  0.54804629
   0.88755432  0.45562942  0.85323022
   0.97684039  0.44075056  0.66093721
   0.71224070  0.42856361  0.69580494
   0.78650681  0.11247123  0.96444670
   0.52237011  0.10049776  0.94160675
   0.57143335  0.56279430  0.07014132
   0.84884787  0.70531788  0.30771024
   0.62189473  0.83157253  0.04683808
   0.88364511  0.95592370  0.35968841
   0.91611956  0.88660591  0.17638164
   0.67455075  0.87870455  0.24332398
   0.81102882  0.61394002  0.47525634
   0.57552243  0.57474843  0.37383839
   0.59952908  0.59173094  0.56809544
   0.85909547  0.69132267  0.78614443
   0.59808264  0.80007810  0.42626073
   0.89789169  0.95033401  0.82505140
   0.92209416  0.86116986  0.64763398
   0.68027680  0.89440963  0.73652883
   0.76520261  0.64847889  0.96441684
   0.51346099  0.68451179  0.90253140
   0.69420387  0.82516251  0.57604005
   0.62027339  0.83055978  0.36182940
   0.83440399  0.22882535  0.09089119
   1.00555027  0.41348208  0.32930511
   0.32696187  0.15395890  0.67049457
   0.25571103  0.80566962  0.76671837
   0.02088999  1.13828065  0.14384680
   0.25041410  1.05745674 -0.00242575
   0.65295536  0.35972169  0.86353984
   0.89538970  0.45325525  0.62468748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936451    0.145024   -0.124148
    -0.000000    9.841422   -0.120217
    -0.000000    0.000000   14.013755
   Si   O    H 
    32    64    10
Direct configuration=  1616
   0.17609720  0.18247725 -0.04140168
   0.37536794  0.07999273  0.36986960
   0.14608529  0.39922954  0.11943747
   0.39871155  0.34359569  0.25926721
   0.09695652  0.16258328  0.47876374
   0.42965155  0.15485191  0.85266441
   0.12534773  0.40318034  0.62729824
   0.36720879  0.38765155  0.75529505
   0.13605537  0.67886096  0.01358421
   0.40917538  0.58011403  0.36664765
   0.07640083  0.91252941  0.14628180
   0.33279982  0.82845722  0.24613987
   0.18850692  0.63875082  0.50269905
   0.35891312  0.66129008  0.86459266
   0.05456798  0.90441175  0.59848701
   0.32940132  1.00908144  0.68185779
   0.64660760  0.14642834  1.01574674
   0.86297494  0.12344040  0.35713808
   0.62449267  0.42824524  0.12332133
   0.86391903  0.31215291  0.17934601
   0.62273835  0.17209866  0.49775615
   0.88084228  0.10624776  0.86732746
   0.59008358  0.45411368  0.62464699
   0.76904164  0.35941234  0.79807961
   0.60759530  0.68132767 -0.00532731
   0.91652688  0.60111598  0.38746316
   0.59118383  0.91734430  0.14169228
   0.83385763  0.85615110  0.27219675
   0.65095634  0.64226845  0.46099763
   0.88094340  0.61917665  0.88401969
   0.60609782  0.92116701  0.62805337
   0.83314940  0.84855919  0.74510218
   0.09653130  0.07400779  0.13639319
   0.38324652  0.18297361  0.28044290
   0.15067935  0.31965039  0.02658807
   0.35085529  0.43236454  0.35475461
   0.54030671  0.40053893  0.21443314
   0.28747811  0.37694763  0.17882074
   0.24429726  0.11233392  0.42953394
   0.00520582  0.18668161  0.38664644
   0.02765557  0.04781440  0.54055070
   0.48725433  0.26984268  0.77959735
   0.12014241  0.28562039  0.54537550
   0.35867277  0.49595236  0.83864678
   0.44523297  0.47579690  0.66568594
   0.22236133  0.34738644  0.71050648
   0.30602622  0.23913685 -0.10807598
   0.03619655  0.14777395  0.90298095
   0.13011353  0.56717739  0.09737508
   0.36899973  0.67246263  0.26726194
   0.11088749  0.83413655  0.04989257
   0.35949756  0.92148737  0.33859599
   0.43458819  0.90092671  0.17026567
   0.16819510  0.85727792  0.23604499
   0.33546999  0.65635140  0.44877433
   0.07320210  0.61676137  0.41322033
   0.22093801  0.51683537  0.57676883
   0.29963307  0.72520649  0.76591330
   0.12729989  0.77590519  0.55122860
   0.39819577  1.00691569  0.79462999
   0.43950480  0.91323349  0.62086720
   0.18498188  0.93873694  0.67992765
   0.27409225  0.70255252 -0.04306543
   0.02495539  0.63649294  0.93192669
   0.62621194  0.07378644  0.11681118
   0.82457506  0.18071322  0.25243444
   0.61782824  0.29656610  0.04837378
   0.91118835  0.44164475  0.34466512
   0.02380326  0.35211573  0.18751729
   0.77752026  0.45340878  0.16457510
   0.75551477  0.19025129  0.43059513
   0.49606081  0.11416867  0.44127312
   0.65844744  0.07051097  0.58911062
   0.82791306  0.20205724  0.77729146
   0.59054123  0.32308961  0.54741183
   0.88912010  0.45574559  0.85375047
   0.97685163  0.44182889  0.66047410
   0.71231888  0.42844379  0.69503464
   0.78835129  0.11200538  0.96335703
   0.52291184  0.10026098  0.94067582
   0.57211972  0.56149613  0.06843550
   0.84844267  0.70434742  0.30886366
   0.62173097  0.83294762  0.04785965
   0.88288729  0.95751590  0.36000351
   0.91787319  0.88478618  0.17563020
   0.67444223  0.87702672  0.24229258
   0.81354602  0.61652970  0.47594753
   0.57692179  0.57465735  0.37453268
   0.60137463  0.58953312  0.56795066
   0.85759738  0.68916482  0.78531364
   0.59766374  0.79897368  0.42644582
   0.89753784  0.95258256  0.82488769
   0.92261174  0.86083621  0.64821745
   0.68132290  0.89482907  0.73696408
   0.76638262  0.64741290  0.96365507
   0.51304762  0.68578179  0.90306653
   0.69428983  0.81592628  0.57700845
   0.62362794  0.82839957  0.36263433
   0.83877263  0.23009945  0.09232541
   1.00328302  0.40479083  0.33157371
   0.33022544  0.15131278  0.67177953
   0.24664154  0.81288393  0.76049071
   0.03162916  1.13272595  0.14445669
   0.24518489  1.05917128  0.00335412
   0.65520894  0.35576742  0.86270887
   0.89627872  0.45479047  0.62232139
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934676    0.145569   -0.123678
    -0.000000    9.841972   -0.123208
    -0.000000    0.000000   14.014225
   Si   O    H 
    32    64    10
Direct configuration=  1617
   0.17573490  0.18174369 -0.04193148
   0.37498825  0.07978101  0.36876318
   0.14538354  0.39858467  0.11914745
   0.39796918  0.34271239  0.26025853
   0.09647283  0.16191992  0.47857240
   0.43024870  0.15494431  0.85285441
   0.12612236  0.40297041  0.62749252
   0.36778332  0.38811843  0.75541815
   0.13615280  0.67855690  0.01432816
   0.41001198  0.57999427  0.36624323
   0.07559218  0.91413559  0.14690954
   0.33228483  0.82849314  0.24661301
   0.18791082  0.63861095  0.50339654
   0.35922298  0.66202907  0.86498872
   0.05419170  0.90605281  0.59730032
   0.33066584  1.00817468  0.68158958
   0.64539993  0.14591819  1.01607562
   0.86389699  0.12423986  0.35691228
   0.62518169  0.42774872  0.12411305
   0.86431304  0.31263911  0.17954834
   0.62343532  0.17153343  0.49734216
   0.88054584  0.10566900  0.86729009
   0.58892031  0.45467807  0.62433638
   0.77010939  0.35961214  0.79752055
   0.60774011  0.68113695 -0.00518749
   0.91665849  0.60140311  0.38788198
   0.59127671  0.91621536  0.14205466
   0.83451300  0.85637009  0.27258494
   0.64981971  0.64360948  0.46047465
   0.87958215  0.61967847  0.88445625
   0.60663058  0.91990708  0.62797349
   0.83249497  0.84811971  0.74445938
   0.09871098  0.07329211  0.13625142
   0.38212691  0.18207333  0.28091521
   0.14995004  0.32076967  0.02610577
   0.34950576  0.43322760  0.35402795
   0.54084573  0.39973807  0.21483517
   0.28687418  0.37788666  0.17831669
   0.24307483  0.11218708  0.43026859
   0.00510765  0.18734581  0.38726087
   0.02627986  0.04788976  0.54161944
   0.48662295  0.26938544  0.77964398
   0.12070708  0.28716224  0.54438164
   0.36056276  0.49534028  0.83894329
   0.44444125  0.47669902  0.66548912
   0.22137387  0.34752713  0.71068813
   0.30593265  0.24089615 -0.10846231
   0.03642437  0.14749291  0.90321880
   0.13051766  0.56834237  0.09692633
   0.36814214  0.67118721  0.26944387
   0.10970081  0.83603825  0.05104685
   0.35845486  0.92174863  0.33927672
   0.43435629  0.90167612  0.17100081
   0.16815010  0.85653111  0.23665136
   0.33477851  0.65618103  0.44901488
   0.07497396  0.61733378  0.41365877
   0.21902470  0.51604122  0.57488726
   0.30013308  0.72483257  0.76668935
   0.12889844  0.77533871  0.55053172
   0.39702402  1.00382325  0.79367349
   0.43924869  0.91253327  0.62078256
   0.18511240  0.93832048  0.68029849
   0.27457703  0.70284505 -0.04285738
   0.02716428  0.63639453  0.93347898
   0.62542665  0.07330973  0.11689864
   0.82407978  0.18209682  0.25232289
   0.61841277  0.29833928  0.04899663
   0.90958901  0.44297727  0.34541917
   0.02426266  0.35421633  0.18784677
   0.77634342  0.45204649  0.16439901
   0.75573616  0.18868548  0.43260696
   0.49607378  0.11430935  0.44132471
   0.65871129  0.07012007  0.58845846
   0.82619941  0.20130586  0.77813227
   0.59023620  0.32440188  0.54633934
   0.89031279  0.45597462  0.85397264
   0.97716400  0.44281169  0.66016167
   0.71380861  0.42811753  0.69463415
   0.79033570  0.11111095  0.96218506
   0.52408681  0.10041628  0.93989386
   0.57245385  0.56109817  0.06687650
   0.84779073  0.70365229  0.30994973
   0.62206381  0.83425552  0.04856012
   0.88295006  0.95879863  0.36016034
   0.91956884  0.88317976  0.17556087
   0.67390816  0.87542091  0.24106929
   0.81534761  0.61869004  0.47606952
   0.57694499  0.57431405  0.37471699
   0.60310089  0.58839296  0.56744067
   0.85637305  0.68792158  0.78465767
   0.59798514  0.79855680  0.42676734
   0.89710138  0.95480828  0.82488280
   0.92318592  0.86044536  0.64894159
   0.68259817  0.89537368  0.73682655
   0.76770094  0.64670020  0.96293948
   0.51297557  0.68733673  0.90337677
   0.68989291  0.81317532  0.57704811
   0.62406160  0.82431969  0.36382159
   0.84694826  0.23554822  0.09371900
   0.99824030  0.39838740  0.33165641
   0.33135801  0.15679222  0.67033642
   0.23985630  0.81194044  0.75614286
   0.01994888  1.14666758  0.14820234
   0.23977516  1.06351138  0.00755750
   0.65651232  0.35101515  0.86152851
   0.89658406  0.45660991  0.62053101
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932499    0.146388   -0.123100
    -0.000000    9.842590   -0.127033
    -0.000000    0.000000   14.014747
   Si   O    H 
    32    64    10
Direct configuration=  1618
   0.17540752  0.18160684 -0.04239386
   0.37437929  0.07898299  0.36767154
   0.14498499  0.39842449  0.11899949
   0.39703820  0.34230469  0.26115239
   0.09650104  0.16113551  0.47831568
   0.43135903  0.15437357  0.85310577
   0.12701054  0.40239760  0.62741478
   0.36891858  0.38826792  0.75552235
   0.13614127  0.67843209  0.01498982
   0.41116601  0.58037611  0.36585700
   0.07462676  0.91511768  0.14751701
   0.33165337  0.82868666  0.24696065
   0.18742400  0.63861393  0.50390915
   0.35982008  0.66251308  0.86580566
   0.05429945  0.90744930  0.59638438
   0.33175899  1.00799040  0.68146700
   0.64376460  0.14559694  1.01631722
   0.86438444  0.12544473  0.35695118
   0.62632265  0.42716793  0.12444146
   0.86489872  0.31226758  0.17993913
   0.62401339  0.17116163  0.49715987
   0.88009057  0.10505788  0.86761208
   0.58831605  0.45529790  0.62363247
   0.77095570  0.36010797  0.79691371
   0.60824232  0.68142519 -0.00549570
   0.91729653  0.60214864  0.38789990
   0.59083578  0.91503255  0.14256854
   0.83544559  0.85662564  0.27286283
   0.64968633  0.64495775  0.46032253
   0.87874098  0.61983617  0.88523268
   0.60641762  0.91854813  0.62786952
   0.83171535  0.84745291  0.74411293
   0.10050993  0.07340222  0.13611902
   0.38182814  0.18186512  0.28108379
   0.14913757  0.32131706  0.02510832
   0.34798019  0.43355418  0.35291824
   0.54098540  0.39803338  0.21575481
   0.28595865  0.37802872  0.17771123
   0.24140783  0.11141013  0.43085075
   0.00444617  0.18872504  0.38731494
   0.02524410  0.04754162  0.54228207
   0.48606428  0.26879165  0.77988672
   0.12128843  0.28899100  0.54401170
   0.36172398  0.49536406  0.83892060
   0.44238319  0.47689732  0.66551073
   0.22040025  0.34780466  0.71097825
   0.30514927  0.24248813 -0.10899954
   0.03696917  0.14742262  0.90364063
   0.13121184  0.56901930  0.09636963
   0.36752314  0.66983717  0.27140856
   0.10884323  0.83785284  0.05165066
   0.35795183  0.92287790  0.34005536
   0.43461593  0.90196461  0.17219657
   0.16786689  0.85628080  0.23725750
   0.33366147  0.65641330  0.44947607
   0.07673862  0.61774772  0.41458740
   0.21676972  0.51504165  0.57332462
   0.30054449  0.72481853  0.76732773
   0.13046638  0.77533056  0.54983170
   0.39547430  1.00215698  0.79353458
   0.43890877  0.91224210  0.62019311
   0.18475537  0.93795987  0.67991255
   0.27398208  0.70215996 -0.04224594
   0.02990669  0.63638297  0.93456114
   0.62490338  0.07288110  0.11693062
   0.82502441  0.18250246  0.25266248
   0.61821583  0.30067136  0.04904453
   0.90840667  0.44453022  0.34603234
   0.02441574  0.35571874  0.18786429
   0.77543806  0.45065130  0.16476016
   0.75588278  0.18670959  0.43449557
   0.49624290  0.11450943  0.44102189
   0.65821340  0.06952347  0.58783488
   0.82436139  0.20098771  0.77970811
   0.58909170  0.32521544  0.54555246
   0.89067102  0.45606275  0.85393036
   0.97731123  0.44387551  0.65977639
   0.71563658  0.42822867  0.69450729
   0.79167807  0.11066125  0.96110215
   0.52511884  0.10113065  0.93908528
   0.57184735  0.56142620  0.06561770
   0.84658486  0.70228079  0.31081439
   0.62198220  0.83414430  0.04938910
   0.88142670  0.96031704  0.36044579
   0.92056029  0.88169297  0.17578493
   0.67269565  0.87491241  0.23987273
   0.81739369  0.62096213  0.47599778
   0.57658805  0.57380621  0.37479321
   0.60516444  0.58751840  0.56587677
   0.85549450  0.68719453  0.78414789
   0.59845844  0.79804921  0.42742929
   0.89633632  0.95578883  0.82531467
   0.92367224  0.85941472  0.64928216
   0.68236606  0.89579030  0.73668737
   0.76858631  0.64644073  0.96213285
   0.51374105  0.68890912  0.90419227
   0.68212635  0.81149205  0.57886540
   0.62430886  0.81897984  0.36241546
   0.85402151  0.24083007  0.09281527
   0.98915401  0.39712076  0.33221393
   0.33254004  0.16486811  0.66656998
   0.24047153  0.80347945  0.75202432
   0.01828964  1.14850926  0.15098637
   0.23494422  1.06795036  0.00954306
   0.65695335  0.34678971  0.85892347
   0.90201544  0.45823859  0.61825026
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930442    0.146575   -0.122826
    -0.000000    9.842857   -0.130414
    -0.000000    0.000000   14.015601
   Si   O    H 
    32    64    10
Direct configuration=  1619
   0.17541381  0.18159644 -0.04286710
   0.37352054  0.07827333  0.36700673
   0.14451592  0.39885198  0.11935809
   0.39604839  0.34213769  0.26166879
   0.09714344  0.16075275  0.47789731
   0.43222365  0.15343775  0.85288362
   0.12754445  0.40144862  0.62723570
   0.36907814  0.38809215  0.75523770
   0.13664629  0.67810947  0.01531249
   0.41232271  0.58107407  0.36579791
   0.07330088  0.91606527  0.14802500
   0.33068470  0.82904352  0.24737986
   0.18712754  0.63857245  0.50413560
   0.36047283  0.66247755  0.86623921
   0.05532609  0.90857520  0.59562324
   0.33236553  1.00770798  0.68139287
   0.64215220  0.14535608  1.01663548
   0.86488057  0.12633462  0.35676513
   0.62742222  0.42639549  0.12463476
   0.86537059  0.31197571  0.18061736
   0.62436704  0.17070036  0.49756710
   0.88035810  0.10456285  0.86783968
   0.58718448  0.45594345  0.62329466
   0.77208447  0.36082489  0.79626054
   0.60863147  0.68142360 -0.00581485
   0.91792588  0.60326664  0.38754378
   0.59082868  0.91416158  0.14350490
   0.83613732  0.85692946  0.27276925
   0.65064152  0.64625439  0.46046237
   0.87904398  0.61972211  0.88585501
   0.60620410  0.91754316  0.62752175
   0.83172137  0.84677047  0.74392096
   0.10127856  0.07528456  0.13623880
   0.38141803  0.18124044  0.28125636
   0.14747124  0.32136560  0.02375754
   0.34580067  0.43246543  0.35162128
   0.54069306  0.39651330  0.21672656
   0.28574287  0.37771748  0.17639118
   0.23938712  0.11087923  0.43247859
   0.00418024  0.19029295  0.38657796
   0.02423909  0.04825082  0.54337968
   0.48529471  0.26873227  0.78006831
   0.12182147  0.29073554  0.54343593
   0.36324061  0.49527433  0.83924375
   0.43981953  0.47650952  0.66619777
   0.21898127  0.34794152  0.71131380
   0.30465678  0.24366360 -0.10915811
   0.03700493  0.14809324  0.90359264
   0.13165779  0.56888528  0.09630413
   0.36709457  0.66860991  0.27284231
   0.10767234  0.83897471  0.05257130
   0.35746245  0.92345884  0.33963872
   0.43466273  0.90150619  0.17343133
   0.16732392  0.85587266  0.23720116
   0.33250017  0.65685320  0.45048855
   0.07875378  0.61796426  0.41552206
   0.21476333  0.51351347  0.57223053
   0.30104069  0.72486807  0.76738054
   0.13123434  0.77514577  0.54881377
   0.39395355  1.00058518  0.79387283
   0.43833013  0.91172525  0.61920021
   0.18412692  0.93744484  0.67970793
   0.27436137  0.70137054 -0.04155232
   0.03306915  0.63618692  0.93483734
   0.62426055  0.07198169  0.11669602
   0.82582774  0.18341096  0.25233477
   0.61815040  0.30285411  0.04875563
   0.90725010  0.44670765  0.34699405
   0.02454182  0.35632655  0.18758030
   0.77560750  0.44960630  0.16498557
   0.75604144  0.18403714  0.43607005
   0.49571465  0.11457031  0.44027364
   0.65802865  0.06830914  0.58700558
   0.82323360  0.20206153  0.78072223
   0.58749691  0.32575874  0.54450166
   0.89043248  0.45619388  0.85334979
   0.97757140  0.44467838  0.65976785
   0.71737268  0.42797779  0.69458517
   0.79245756  0.11056339  0.96018194
   0.52693047  0.10224308  0.93837561
   0.57172964  0.56159106  0.06452471
   0.84457372  0.70148352  0.31147027
   0.62282145  0.83258164  0.04963414
   0.87961132  0.96247314  0.36078282
   0.92156975  0.88031298  0.17627966
   0.67186742  0.87537984  0.23859970
   0.81923709  0.62290457  0.47575784
   0.57589608  0.57319221  0.37489273
   0.60713959  0.58708340  0.56479806
   0.85417947  0.68675306  0.78302804
   0.59934921  0.79835673  0.42808913
   0.89583279  0.95551953  0.82516926
   0.92375951  0.85789767  0.64929708
   0.68152697  0.89668119  0.73633464
   0.76901096  0.64689052  0.96188932
   0.51390680  0.69054316  0.90490518
   0.67232414  0.81168926  0.57818571
   0.62225162  0.81448716  0.35973094
   0.85926241  0.24355445  0.08949856
   0.98750949  0.39117607  0.33264927
   0.33555179  0.16456799  0.66123307
   0.24180508  0.79569769  0.75080528
   0.02934578  1.13907094  0.15214618
   0.23222458  1.07029560  0.01286078
   0.65840861  0.34419248  0.85700726
   0.90584927  0.45759939  0.61483686
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928217    0.147534   -0.122111
    -0.000000    9.842901   -0.133657
    -0.000000    0.000000   14.016924
   Si   O    H 
    32    64    10
Direct configuration=  1620
   0.17574228  0.18194076 -0.04303673
   0.37211307  0.07735519  0.36610260
   0.14416322  0.39928768  0.11950125
   0.39440024  0.34213870  0.26171697
   0.09838577  0.16049229  0.47768393
   0.43334248  0.15236094  0.85259526
   0.12771488  0.40126743  0.62701898
   0.36897026  0.38804986  0.75479733
   0.13775011  0.67868322  0.01535174
   0.41297193  0.58154288  0.36556835
   0.07207616  0.91688074  0.14858399
   0.33035583  0.82896996  0.24814372
   0.18664519  0.63837601  0.50415503
   0.36164995  0.66196344  0.86694544
   0.05778578  0.90931372  0.59525699
   0.33275172  1.00830095  0.68120375
   0.64134476  0.14543873  1.01665827
   0.86560188  0.12782380  0.35646109
   0.62867493  0.42602705  0.12457250
   0.86575554  0.31144034  0.18117533
   0.62419448  0.17037639  0.49793282
   0.88052590  0.10397346  0.86795948
   0.58687213  0.45644450  0.62291697
   0.77327170  0.36130510  0.79595477
   0.60876723  0.68175481 -0.00604351
   0.91895256  0.60421630  0.38742325
   0.59007217  0.91360781  0.14452808
   0.83673568  0.85704245  0.27262916
   0.65146509  0.64747570  0.46126552
   0.88035925  0.61916428  0.88639642
   0.60570259  0.91701768  0.62720660
   0.83181286  0.84616357  0.74428569
   0.10226418  0.07703899  0.13625869
   0.38115458  0.18107511  0.28084998
   0.14679416  0.32090198  0.02215385
   0.34381411  0.43148675  0.35030492
   0.53997491  0.39441594  0.21805320
   0.28606438  0.37722309  0.17532431
   0.23704317  0.11019600  0.43393297
   0.00379015  0.19268771  0.38577939
   0.02372249  0.04958078  0.54406238
   0.48449411  0.26832705  0.77975803
   0.12230874  0.29245149  0.54287073
   0.36489799  0.49565251  0.83988655
   0.43784942  0.47635425  0.66730479
   0.21761885  0.34832268  0.71194317
   0.30374481  0.24431481 -0.10939778
   0.03725667  0.14797379  0.90358330
   0.13181136  0.56831209  0.09677816
   0.36655832  0.66761383  0.27420568
   0.10653240  0.83945965  0.05338114
   0.35704805  0.92450394  0.33997426
   0.43516943  0.90057887  0.17436038
   0.16647183  0.85517468  0.23713293
   0.33195393  0.65774708  0.45114404
   0.08048048  0.61728061  0.41598588
   0.21306582  0.51218760  0.57169068
   0.30134231  0.72470433  0.76732232
   0.13175508  0.77503359  0.54786272
   0.39231782  1.00014998  0.79470110
   0.43833030  0.91161650  0.61843659
   0.18234720  0.93701639  0.67905616
   0.27355041  0.70042400 -0.04166708
   0.03601517  0.63584043  0.93505299
   0.62411337  0.07104143  0.11735214
   0.82580645  0.18558581  0.25256201
   0.61812373  0.30548805  0.04837506
   0.90565277  0.44890598  0.34819032
   0.02497424  0.35683173  0.18799175
   0.77536005  0.44926234  0.16516685
   0.75610625  0.18040592  0.43720116
   0.49576750  0.11393592  0.43981575
   0.65868261  0.06703392  0.58652624
   0.82278655  0.20351280  0.78122077
   0.58552060  0.32633868  0.54362428
   0.88932879  0.45663392  0.85255890
   0.97832502  0.44546564  0.66026629
   0.71892612  0.42744708  0.69489971
   0.79248550  0.11072827  0.95963361
   0.52880281  0.10322384  0.93820239
   0.57091153  0.56196361  0.06355369
   0.84298983  0.70126915  0.31174192
   0.62344088  0.83061463  0.04972145
   0.87759371  0.96455666  0.36067466
   0.92247488  0.87954230  0.17752098
   0.67071482  0.87510640  0.23817501
   0.82084505  0.62466208  0.47560838
   0.57519699  0.57284310  0.37490062
   0.60779190  0.58802626  0.56343033
   0.85218103  0.68644088  0.78202977
   0.60035070  0.79925416  0.42862578
   0.89557293  0.95460823  0.82470165
   0.92419458  0.85644321  0.64944496
   0.67920609  0.89732460  0.73624004
   0.76858821  0.64777800  0.96174217
   0.51482258  0.69124968  0.90446442
   0.66424822  0.81047300  0.57647870
   0.61805521  0.80897598  0.36104379
   0.86348411  0.24387081  0.08665528
   0.98508351  0.38960181  0.33568085
   0.33802088  0.15669766  0.65506544
   0.23869247  0.79950661  0.75017590
   0.04128109  1.13468473  0.15394123
   0.23387141  1.07299362  0.01722322
   0.66184903  0.34606742  0.85785646
   0.90643654  0.45787246  0.60969659
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925835    0.148600   -0.121153
    -0.000000    9.843267   -0.136297
    -0.000000    0.000000   14.018032
   Si   O    H 
    32    64    10
Direct configuration=  1621
   0.17632863  0.18255546 -0.04336757
   0.37052059  0.07603298  0.36539622
   0.14408484  0.39994382  0.11980903
   0.39289911  0.34205256  0.26189739
   0.09978988  0.16021297  0.47737922
   0.43434380  0.15105146  0.85175345
   0.12790312  0.40036356  0.62676770
   0.36850014  0.38824486  0.75381274
   0.13906781  0.67942087  0.01552831
   0.41311228  0.58164798  0.36529829
   0.07157812  0.91719606  0.14938759
   0.32910153  0.82919236  0.24867124
   0.18628193  0.63797620  0.50424072
   0.36306877  0.66138361  0.86735239
   0.05992285  0.90937938  0.59513357
   0.33321950  1.00838739  0.68117874
   0.64124823  0.14591637  1.01638923
   0.86546085  0.12925049  0.35607118
   0.62979159  0.42641141  0.12415314
   0.86639894  0.31043452  0.18151859
   0.62352530  0.17074794  0.49848311
   0.88105841  0.10350821  0.86743688
   0.58726149  0.45628232  0.62292988
   0.77497569  0.36188759  0.79545102
   0.60914888  0.68190517 -0.00642518
   0.91972521  0.60488509  0.38680822
   0.58951281  0.91298801  0.14519974
   0.83755772  0.85676551  0.27288196
   0.65208435  0.64893446  0.46213203
   0.88182866  0.61856209  0.88699349
   0.60533018  0.91736386  0.62699432
   0.83210455  0.84564752  0.74456378
   0.10432114  0.07623721  0.13570933
   0.38091749  0.18169396  0.28012121
   0.14617788  0.31910925  0.02111471
   0.34286795  0.43111503  0.34924920
   0.53952846  0.39315848  0.21896053
   0.28634409  0.37718930  0.17475210
   0.23539092  0.10870587  0.43458188
   0.00343082  0.19644553  0.38560840
   0.02431335  0.05134531  0.54468998
   0.48365893  0.26779934  0.77926985
   0.12273298  0.29423419  0.54246048
   0.36721541  0.49597790  0.84076598
   0.43606944  0.47533334  0.66864039
   0.21706248  0.34931816  0.71330531
   0.30263348  0.24463380 -0.10898649
   0.03744941  0.14746500  0.90360974
   0.13207722  0.56789737  0.09779372
   0.36670849  0.66714680  0.27474353
   0.10536945  0.83908499  0.05441814
   0.35645522  0.92540347  0.34044501
   0.43544038  0.89913347  0.17516052
   0.16522418  0.85439530  0.23722595
   0.33173562  0.65899599  0.45117280
   0.08149786  0.61694283  0.41587895
   0.21160205  0.51217432  0.57140484
   0.30160340  0.72450609  0.76730687
   0.13270652  0.77585071  0.54708043
   0.38974030  1.00178255  0.79537567
   0.43882473  0.91212630  0.61807656
   0.17952550  0.93748017  0.67856718
   0.27379674  0.69990108 -0.04164642
   0.03756871  0.63522581  0.93486424
   0.62430537  0.07000239  0.11840895
   0.82536549  0.18722624  0.25295520
   0.61785430  0.30722224  0.04797707
   0.90443881  0.45068934  0.34884532
   0.02498693  0.35674592  0.18883993
   0.77544407  0.44861468  0.16591919
   0.75716215  0.17690565  0.43769361
   0.49637900  0.11374275  0.43967585
   0.65934426  0.06625074  0.58648964
   0.82307026  0.20441901  0.78105278
   0.58467974  0.32669789  0.54300584
   0.88864917  0.45728187  0.85186730
   0.97943413  0.44596538  0.66082749
   0.71991285  0.42722223  0.69467076
   0.79160905  0.11164530  0.95953770
   0.53078191  0.10330812  0.93812454
   0.57040550  0.56120355  0.06247741
   0.84133823  0.70164968  0.31197978
   0.62363103  0.82720116  0.04955719
   0.87496567  0.96575480  0.36030611
   0.92265601  0.87943805  0.17865993
   0.67095755  0.87392336  0.23787675
   0.82118696  0.62626619  0.47577317
   0.57483072  0.57246102  0.37476903
   0.60844544  0.58948316  0.56226881
   0.84986960  0.68746299  0.78150349
   0.60188650  0.80127324  0.42926680
   0.89518988  0.95316705  0.82431153
   0.92544911  0.85547953  0.64948669
   0.67664445  0.89816133  0.73604935
   0.76861619  0.64880256  0.96163376
   0.51492171  0.69177720  0.90342583
   0.65749278  0.80242939  0.57422653
   0.61449256  0.80509666  0.36224024
   0.86912682  0.24226324  0.08328281
   0.97863456  0.39062414  0.34196581
   0.33921470  0.14492602  0.64822516
   0.23849280  0.80365233  0.74987803
   0.02822174  1.15225970  0.16086638
   0.23736407  1.07569827  0.01862661
   0.66323673  0.34852873  0.86020849
   0.91346362  0.45632758  0.60631716
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923469    0.149542   -0.120575
    -0.000000    9.844309   -0.139020
    -0.000000    0.000000   14.018787
   Si   O    H 
    32    64    10
Direct configuration=  1622
   0.17691528  0.18311898 -0.04346016
   0.36905445  0.07515551  0.36530628
   0.14472576  0.40085644  0.11997308
   0.39069987  0.34266997  0.26174692
   0.10051026  0.15981570  0.47735430
   0.43496271  0.14923725  0.85119407
   0.12762641  0.40002465  0.62620303
   0.36854743  0.38921426  0.75263214
   0.14020968  0.67975285  0.01501361
   0.41273083  0.58110521  0.36467794
   0.07109800  0.91830469  0.15020954
   0.32786413  0.83014291  0.24953509
   0.18578868  0.63841713  0.50420782
   0.36426199  0.66023148  0.86726076
   0.06219327  0.90924200  0.59519739
   0.33358181  1.00842189  0.68107606
   0.64141059  0.14676322  1.01643690
   0.86461016  0.13037882  0.35586964
   0.63025475  0.42743312  0.12407138
   0.86720885  0.30979185  0.18106767
   0.62251179  0.17085733  0.49895340
   0.88168257  0.10329549  0.86699901
   0.58804071  0.45549946  0.62339205
   0.77690428  0.36180743  0.79516292
   0.61034208  0.68196322 -0.00653982
   0.92097513  0.60499672  0.38570961
   0.58935572  0.91217288  0.14562984
   0.83735280  0.85663269  0.27281773
   0.65265873  0.65067992  0.46289884
   0.88279722  0.61734888  0.88740586
   0.60500041  0.91747767  0.62645522
   0.83261002  0.84549912  0.74444471
   0.10404106  0.07653087  0.13554713
   0.38062655  0.18232373  0.27886295
   0.14622929  0.31672084  0.01940632
   0.34223846  0.43088698  0.34863497
   0.53821413  0.39209749  0.21979342
   0.28683965  0.37748494  0.17426035
   0.23430705  0.10715830  0.43496848
   0.00290336  0.19998811  0.38516563
   0.02454681  0.05383842  0.54531153
   0.48223453  0.26722865  0.77863498
   0.12206242  0.29451492  0.54186346
   0.36978190  0.49601095  0.84154557
   0.43390632  0.47412760  0.66996305
   0.21704171  0.34968914  0.71491068
   0.30162387  0.24492038 -0.10829553
   0.03725163  0.14714913  0.90386954
   0.13225148  0.56722138  0.09901210
   0.36701319  0.66792891  0.27500668
   0.10456253  0.83821814  0.05473120
   0.35589071  0.92565921  0.34091934
   0.43477314  0.89764838  0.17558518
   0.16418079  0.85473349  0.23784015
   0.33188352  0.66081803  0.45055235
   0.08173337  0.61696153  0.41594432
   0.21085096  0.51213788  0.57095112
   0.30166660  0.72425755  0.76714735
   0.13363428  0.77687112  0.54675774
   0.38796531  1.00403512  0.79609671
   0.43915316  0.91217545  0.61776111
   0.17707704  0.93758216  0.67761233
   0.27429991  0.69806288 -0.04181498
   0.03901888  0.63551818  0.93418560
   0.62497112  0.06956114  0.11975636
   0.82461565  0.18969891  0.25312229
   0.61770323  0.30848973  0.04716461
   0.90321313  0.45132029  0.34912675
   0.02401901  0.35694815  0.18983714
   0.77621035  0.44741020  0.16648087
   0.75890189  0.17349496  0.43802292
   0.49615190  0.11323308  0.43941836
   0.66090683  0.06591869  0.58674275
   0.82356801  0.20493915  0.78087014
   0.58342536  0.32706147  0.54262578
   0.88753187  0.45765389  0.85107780
   0.97938832  0.44628274  0.66101717
   0.72142022  0.42742121  0.69456531
   0.79019270  0.11264248  0.95993176
   0.53212636  0.10393951  0.93836831
   0.57009639  0.56022387  0.06180240
   0.84012588  0.70307761  0.31230772
   0.62458908  0.82451990  0.04909625
   0.87347114  0.96606775  0.36009356
   0.92278455  0.88001422  0.17924123
   0.67196500  0.87289652  0.23794189
   0.82037368  0.62778591  0.47631413
   0.57489600  0.57102697  0.37481701
   0.60867161  0.59050076  0.56149655
   0.84876930  0.68858255  0.78114602
   0.60406311  0.80308482  0.43105035
   0.89467644  0.95142488  0.82382767
   0.92664030  0.85488526  0.64978523
   0.67472446  0.89935119  0.73569910
   0.76856447  0.64984516  0.96151664
   0.51544744  0.69220718  0.90132524
   0.65394746  0.79750339  0.57161861
   0.60961852  0.80457527  0.35961781
   0.87434161  0.24008970  0.08031702
   0.97715856  0.38486532  0.34843853
   0.34126729  0.13633864  0.64099893
   0.24305669  0.80227519  0.75306863
   0.03351185  1.15619676  0.16603072
   0.24068653  1.08193543  0.01476567
   0.66447731  0.35297600  0.86348768
   0.92272310  0.45437531  0.60826275
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920504    0.150769   -0.120039
    -0.000000    9.845030   -0.142006
    -0.000000    0.000000   14.019208
   Si   O    H 
    32    64    10
Direct configuration=  1623
   0.17772361  0.18392391 -0.04386890
   0.36774825  0.07523873  0.36596641
   0.14511583  0.40217153  0.12011543
   0.38815539  0.34318357  0.26125652
   0.10120860  0.15922946  0.47762674
   0.43567785  0.14723405  0.85035852
   0.12714916  0.39989246  0.62599061
   0.36915977  0.39011176  0.75167272
   0.14070858  0.68014119  0.01476478
   0.41211464  0.58068261  0.36450177
   0.07106282  0.91893227  0.15060335
   0.32648920  0.83117960  0.25012094
   0.18571635  0.63897013  0.50433592
   0.36527007  0.65840694  0.86723223
   0.06434335  0.90907301  0.59469012
   0.33376777  1.00824768  0.68118387
   0.64124236  0.14780590  1.01652477
   0.86387644  0.13097278  0.35600470
   0.63009619  0.42888169  0.12374864
   0.86810886  0.30898274  0.18080252
   0.62190963  0.17138474  0.49920216
   0.88287534  0.10288246  0.86705097
   0.58876934  0.45493785  0.62380300
   0.77840641  0.36141612  0.79475707
   0.61152210  0.68209364 -0.00653569
   0.92270418  0.60483030  0.38432248
   0.58897521  0.91164158  0.14540718
   0.83701986  0.85674190  0.27318677
   0.65315260  0.65281558  0.46396645
   0.88407815  0.61651029  0.88768373
   0.60423208  0.91751057  0.62562368
   0.83379866  0.84541551  0.74461413
   0.10279955  0.07754762  0.13533830
   0.37993136  0.18224146  0.27728247
   0.14623248  0.31423081  0.01794499
   0.34158725  0.43094547  0.34785142
   0.53652337  0.39078930  0.22031830
   0.28772867  0.37772718  0.17405993
   0.23367327  0.10538155  0.43487117
   0.00331422  0.20345944  0.38483755
   0.02438563  0.05507824  0.54607990
   0.48084686  0.26671962  0.77813749
   0.12203723  0.29377731  0.54126452
   0.37258223  0.49651051  0.84217459
   0.43246473  0.47342540  0.67108088
   0.21699505  0.35031446  0.71647852
   0.30078174  0.24467579 -0.10804468
   0.03622600  0.14682675  0.90385194
   0.13124678  0.56692537  0.10064135
   0.36761217  0.66938835  0.27455438
   0.10410610  0.83700451  0.05463762
   0.35556085  0.92554166  0.34145657
   0.43364359  0.89536017  0.17617569
   0.16319181  0.85541821  0.23838539
   0.33247951  0.66298240  0.45027885
   0.08198727  0.61608931  0.41610791
   0.21007629  0.51200725  0.57066004
   0.30161857  0.72359212  0.76715886
   0.13400943  0.77853820  0.54662628
   0.38597688  1.00598973  0.79647385
   0.44026744  0.91328125  0.61743626
   0.17573436  0.93877501  0.67691185
   0.27550708  0.69700705 -0.04215982
   0.04005755  0.63660232  0.93347317
   0.62688915  0.06892910  0.12046687
   0.82339593  0.19230177  0.25364174
   0.61806906  0.30929478  0.04579127
   0.90237658  0.45191479  0.34962638
   0.02286160  0.35751065  0.19030977
   0.77772126  0.44533711  0.16721452
   0.75962718  0.17083633  0.43858900
   0.49529169  0.11294142  0.43831897
   0.66165647  0.06492547  0.58698150
   0.82444139  0.20424248  0.78094203
   0.58249593  0.32730100  0.54219621
   0.88580835  0.45850007  0.85068322
   0.97900672  0.44608197  0.66181159
   0.72245997  0.42831920  0.69503266
   0.78806323  0.11336456  0.96098755
   0.53312342  0.10367731  0.93841647
   0.56965120  0.55912500  0.06194322
   0.83991669  0.70517123  0.31289048
   0.62562005  0.82287331  0.04874401
   0.87275444  0.96542904  0.35980001
   0.92204780  0.88024868  0.17956713
   0.67301870  0.87140207  0.23805498
   0.81861611  0.62944587  0.47720479
   0.57514544  0.57040426  0.37501802
   0.60849439  0.59182259  0.56071303
   0.84829550  0.69018710  0.78104758
   0.60689931  0.80491979  0.43303000
   0.89520920  0.94980857  0.82318440
   0.92722676  0.85496459  0.65006629
   0.67286485  0.90107947  0.73530722
   0.76795774  0.65052764  0.96197518
   0.51577743  0.69283842  0.89897216
   0.64990256  0.79832292  0.57273916
   0.60464080  0.80910777  0.36039500
   0.87589695  0.23704887  0.07955105
   0.97547036  0.37993111  0.35392763
   0.33938103  0.13479871  0.63232827
   0.24793534  0.80207630  0.76038034
   0.04936003  1.14537222  0.16415062
   0.24586584  1.08300074  0.00989268
   0.66470377  0.36061182  0.86612024
   0.92435549  0.45438809  0.60437860
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917660    0.152059   -0.119945
    -0.000000    9.845386   -0.145169
    -0.000000    0.000000   14.020269
   Si   O    H 
    32    64    10
Direct configuration=  1624
   0.17823134  0.18532575 -0.04455292
   0.36666891  0.07584372  0.36723073
   0.14626449  0.40270822  0.12004264
   0.38640431  0.34315274  0.26065126
   0.10199204  0.15840179  0.47772967
   0.43600365  0.14559668  0.84933829
   0.12689904  0.39971718  0.62616301
   0.36981890  0.39127693  0.75138823
   0.14154143  0.68076859  0.01493466
   0.41073207  0.58052332  0.36444145
   0.07099262  0.91937880  0.15074017
   0.32547784  0.83158048  0.25044016
   0.18664186  0.63907952  0.50411754
   0.36632132  0.65662962  0.86722835
   0.06676480  0.90873141  0.59426111
   0.33453317  1.00750309  0.68092688
   0.64187773  0.14919971  1.01654808
   0.86249384  0.13168623  0.35630426
   0.62957046  0.43054424  0.12376201
   0.86843658  0.30869927  0.18051939
   0.62217198  0.17216675  0.49953377
   0.88386417  0.10229549  0.86741422
   0.58968192  0.45449398  0.62377895
   0.78039051  0.36172985  0.79471653
   0.61186447  0.68210537 -0.00657885
   0.92475978  0.60478041  0.38299863
   0.58802269  0.91060183  0.14503315
   0.83670818  0.85723990  0.27359586
   0.65360293  0.65454256  0.46501812
   0.88525014  0.61563622  0.88787331
   0.60360797  0.91737282  0.62477530
   0.83481036  0.84517324  0.74476154
   0.10121795  0.07852624  0.13519321
   0.38001545  0.18137998  0.27617976
   0.14587679  0.31308067  0.01656232
   0.34140470  0.43093030  0.34770722
   0.53551095  0.38900206  0.22067337
   0.28874788  0.37749207  0.17337165
   0.23367462  0.10419468  0.43406697
   0.00329594  0.20666571  0.38482832
   0.02595121  0.05536011  0.54613353
   0.47912835  0.26573050  0.77715862
   0.12163246  0.29375661  0.54048828
   0.37509696  0.49680630  0.84274636
   0.43237823  0.47285749  0.67197467
   0.21770265  0.35093898  0.71762593
   0.29995708  0.24307591 -0.10820079
   0.03560684  0.14749897  0.90381461
   0.13009745  0.56730480  0.10252796
   0.36753938  0.67131804  0.27378556
   0.10474179  0.83514031  0.05433351
   0.35598379  0.92560287  0.34167536
   0.43255866  0.89278035  0.17668464
   0.16201696  0.85626066  0.23892960
   0.33311564  0.66432885  0.45011610
   0.08196594  0.61499818  0.41620187
   0.20976886  0.51187329  0.57101097
   0.30220642  0.72269163  0.76784615
   0.13448605  0.78005010  0.54621936
   0.38385023  1.00876406  0.79634176
   0.44154682  0.91378020  0.61726585
   0.17526722  0.94006557  0.67696599
   0.27723436  0.69667476 -0.04212729
   0.04039394  0.63686852  0.93247349
   0.62833544  0.06884156  0.12038228
   0.82255711  0.19436939  0.25381712
   0.61853845  0.31036589  0.04465733
   0.90164150  0.45151585  0.34993297
   0.02174292  0.35758832  0.19073253
   0.77918670  0.44343403  0.16822508
   0.76012861  0.16922402  0.43831113
   0.49483437  0.11299358  0.43754581
   0.66156481  0.06428502  0.58730806
   0.82517525  0.20348164  0.78116337
   0.58109969  0.32728058  0.54186359
   0.88441717  0.45963529  0.84979083
   0.97864524  0.44614363  0.66290559
   0.72253114  0.42975706  0.69561190
   0.78734050  0.11393507  0.96225301
   0.53361100  0.10370141  0.93912966
   0.56916213  0.55834654  0.06213601
   0.83996941  0.70691862  0.31296941
   0.62731305  0.82108284  0.04868705
   0.87136000  0.96524800  0.35929958
   0.92111638  0.88015473  0.17989621
   0.67456102  0.86905409  0.23743284
   0.81729389  0.63035278  0.47788468
   0.57550558  0.56945925  0.37561534
   0.60832740  0.59257881  0.56023742
   0.84791716  0.69120052  0.78058056
   0.60928474  0.80616327  0.43484828
   0.89593086  0.94783939  0.82315696
   0.92766736  0.85497138  0.65024251
   0.67070887  0.90279685  0.73512210
   0.76719194  0.65129467  0.96221355
   0.51602096  0.69381429  0.89683998
   0.64617569  0.79996830  0.57409704
   0.60199780  0.81451617  0.36582568
   0.87487403  0.23516306  0.08307873
   0.97071684  0.38109423  0.35738579
   0.33935982  0.13464039  0.62615022
   0.24709926  0.80709511  0.76662525
   0.06162269  1.13951708  0.16766512
   0.25181590  1.07767512  0.00527701
   0.66914479  0.36533917  0.86555361
   0.92187148  0.45653320  0.60038703
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914876    0.153133   -0.120101
    -0.000000    9.845664   -0.148417
    -0.000000    0.000000   14.021478
   Si   O    H 
    32    64    10
Direct configuration=  1625
   0.17874365  0.18663163 -0.04480522
   0.36566017  0.07713049  0.36858555
   0.14770812  0.40267610  0.12019252
   0.38412285  0.34286475  0.26012276
   0.10247013  0.15787399  0.47738793
   0.43615551  0.14450838  0.84843564
   0.12716461  0.39923605  0.62623351
   0.37094363  0.39228346  0.75107589
   0.14161875  0.68123162  0.01530466
   0.40976149  0.58097884  0.36436686
   0.07026832  0.91975749  0.15085900
   0.32425177  0.83156001  0.25085564
   0.18791763  0.63934103  0.50380677
   0.36700955  0.65486353  0.86700747
   0.06885982  0.90823044  0.59429680
   0.33457767  1.00669039  0.68065594
   0.64288575  0.15040440  1.01680583
   0.86114604  0.13251149  0.35707509
   0.62875936  0.43151581  0.12390629
   0.86911287  0.30794249  0.17978471
   0.62279145  0.17285792  0.50012124
   0.88484781  0.10219228  0.86808230
   0.58973824  0.45418631  0.62342892
   0.78215496  0.36216798  0.79491486
   0.61266022  0.68196745 -0.00659387
   0.92603152  0.60457489  0.38199856
   0.58674594  0.91010409  0.14496740
   0.83572091  0.85775636  0.27371540
   0.65446497  0.65624357  0.46606225
   0.88612985  0.61503516  0.88844099
   0.60312965  0.91698844  0.62393465
   0.83544519  0.84516807  0.74447309
   0.10056230  0.07773878  0.13402969
   0.37961951  0.18035314  0.27532110
   0.14567778  0.31318253  0.01635206
   0.34105341  0.43119561  0.34808394
   0.53511333  0.38745475  0.22091347
   0.28955618  0.37742050  0.17195155
   0.23427793  0.10336259  0.43308822
   0.00368649  0.20951941  0.38530592
   0.02695397  0.05491807  0.54597920
   0.47713777  0.26480422  0.77615643
   0.12089617  0.29318254  0.53986580
   0.37722258  0.49660584  0.84388230
   0.43367233  0.47191570  0.67167530
   0.21830480  0.35134885  0.71917393
   0.30005493  0.24084974 -0.10823305
   0.03465650  0.14916750  0.90360251
   0.12873033  0.56731457  0.10415391
   0.36704121  0.67326003  0.27278950
   0.10612196  0.83256262  0.05393257
   0.35585818  0.92428450  0.34206556
   0.43022988  0.89045004  0.17683562
   0.16063634  0.85743786  0.23903713
   0.33356174  0.66540675  0.45027438
   0.08231613  0.61432398  0.41610355
   0.21031408  0.51235262  0.57122283
   0.30329513  0.72251717  0.76884295
   0.13492002  0.78149943  0.54523248
   0.38276548  1.01121098  0.79566289
   0.44296439  0.91444582  0.61704247
   0.17541061  0.94208257  0.67702966
   0.27919103  0.69567070 -0.04167050
   0.03957078  0.63720202  0.93175185
   0.62941662  0.06930404  0.12015786
   0.82163283  0.19586274  0.25371849
   0.61886424  0.31081137  0.04309848
   0.90150846  0.45071966  0.35038781
   0.02108801  0.35812975  0.19080545
   0.78015940  0.44181894  0.16866018
   0.75966810  0.16784374  0.43832633
   0.49467881  0.11292475  0.43707910
   0.66179874  0.06228942  0.58741170
   0.82572151  0.20309499  0.78170970
   0.58059397  0.32731185  0.54191515
   0.88298602  0.46004195  0.84904781
   0.97794592  0.44661037  0.66365206
   0.72211088  0.43080015  0.69639808
   0.78654395  0.11479918  0.96355005
   0.53406933  0.10360228  0.93938637
   0.56854455  0.55847551  0.06303971
   0.83991529  0.70900269  0.31273875
   0.62867709  0.82028507  0.04877938
   0.86988469  0.96431337  0.35864980
   0.92002446  0.87985661  0.18010617
   0.67668281  0.86785804  0.23632427
   0.81647556  0.63126068  0.47834547
   0.57636358  0.56794637  0.37613505
   0.60770737  0.59260868  0.56075361
   0.84767137  0.69221551  0.78046510
   0.61084210  0.80685801  0.43699921
   0.89766912  0.94672847  0.82379541
   0.92918357  0.85528633  0.64960804
   0.66893646  0.90370217  0.73480079
   0.76645679  0.65239273  0.96248832
   0.51655336  0.69506354  0.89542660
   0.64356232  0.80307612  0.57661530
   0.59939257  0.81867081  0.37097161
   0.87342476  0.23522024  0.09055580
   0.96745663  0.38294910  0.36147017
   0.33892604  0.13276750  0.62166202
   0.24437124  0.80734610  0.77205394
   0.05870487  1.16165792  0.18289636
   0.25696254  1.07091222  0.00119189
   0.67730471  0.36988747  0.86484232
   0.92154797  0.45450700  0.60363639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912274    0.154008   -0.120144
    -0.000000    9.845893   -0.151535
    -0.000000    0.000000   14.022508
   Si   O    H 
    32    64    10
Direct configuration=  1626
   0.17906148  0.18749170 -0.04469975
   0.36460714  0.07852431  0.36953288
   0.14871950  0.40267775  0.12003045
   0.38248382  0.34232199  0.25951345
   0.10229309  0.15779600  0.47711794
   0.43564042  0.14373248  0.84767519
   0.12726956  0.39879368  0.62598327
   0.37196081  0.39251722  0.75099239
   0.14167590  0.68113629  0.01582924
   0.40906129  0.58180238  0.36456082
   0.07014610  0.91944896  0.15082460
   0.32305932  0.83115234  0.25137106
   0.18916926  0.63931225  0.50313976
   0.36780479  0.65343316  0.86677588
   0.07031375  0.90719612  0.59466265
   0.33405300  1.00591520  0.68073840
   0.64437953  0.15173470  1.01708237
   0.86028740  0.13302703  0.35798876
   0.62802116  0.43186959  0.12478326
   0.86958755  0.30681213  0.17879661
   0.62317057  0.17313883  0.50025032
   0.88566924  0.10248251  0.86907033
   0.58971395  0.45354856  0.62279230
   0.78398656  0.36286358  0.79510148
   0.61343560  0.68145466 -0.00722397
   0.92688832  0.60404898  0.38127376
   0.58554769  0.91009182  0.14511017
   0.83447005  0.85811000  0.27367285
   0.65516100  0.65741400  0.46652932
   0.88714003  0.61419873  0.88913208
   0.60335183  0.91645672  0.62321693
   0.83567076  0.84525791  0.74396439
   0.09929768  0.07787464  0.13303511
   0.37903655  0.17973392  0.27496690
   0.14560134  0.31473303  0.01692753
   0.34066219  0.43194822  0.34876288
   0.53513972  0.38600152  0.22079559
   0.28962653  0.37612696  0.17011840
   0.23553496  0.10274581  0.43212285
   0.00333272  0.21193416  0.38510935
   0.02800191  0.05381995  0.54567577
   0.47490726  0.26352009  0.77537995
   0.12015137  0.29224826  0.53958676
   0.38004022  0.49555088  0.84452002
   0.43607321  0.47112105  0.67094441
   0.21849974  0.35155450  0.72037309
   0.30067230  0.23901180 -0.10819537
   0.03425894  0.14988646  0.90359855
   0.12795617  0.56728547  0.10581365
   0.36650268  0.67555497  0.27153776
   0.10703869  0.83074356  0.05353955
   0.35609347  0.92307316  0.34240264
   0.42797228  0.88857981  0.17664277
   0.15954549  0.85866136  0.23876134
   0.33396898  0.66647615  0.45056312
   0.08103470  0.61371309  0.41646010
   0.21068369  0.51337062  0.57158793
   0.30470472  0.72276516  0.76974152
   0.13497064  0.78341598  0.54449219
   0.38113092  1.01327097  0.79446478
   0.44388506  0.91526645  0.61685344
   0.17669290  0.94327714  0.67715124
   0.28145890  0.69474879 -0.04089663
   0.03862745  0.63756958  0.93124060
   0.62964881  0.07015221  0.11929518
   0.82138248  0.19768098  0.25348384
   0.61907883  0.31083871  0.04150458
   0.90181637  0.45056710  0.35052573
   0.02117316  0.35914901  0.19066056
   0.78020102  0.44137836  0.16876250
   0.75840811  0.16742200  0.43848714
   0.49489944  0.11242001  0.43688454
   0.66138457  0.06161430  0.58773915
   0.82689778  0.20170338  0.78187844
   0.58027354  0.32780064  0.54210849
   0.88250816  0.46021119  0.84818750
   0.97694675  0.44702590  0.66356914
   0.72165516  0.43172831  0.69737249
   0.78646680  0.11668495  0.96424128
   0.53416153  0.10399951  0.93936950
   0.56801360  0.55859836  0.06355867
   0.84051995  0.71026811  0.31280643
   0.62989151  0.82053380  0.04887788
   0.86869003  0.96432953  0.35881085
   0.91891038  0.88056400  0.18037895
   0.67843005  0.86686178  0.23574411
   0.81594264  0.63160566  0.47872387
   0.57640175  0.56692571  0.37625223
   0.60786356  0.59161371  0.56229044
   0.84732547  0.69293162  0.78079780
   0.61170733  0.80642129  0.43879748
   0.89940413  0.94718441  0.82477761
   0.93170722  0.85567602  0.64911332
   0.66828862  0.90426182  0.73490558
   0.76658837  0.65307562  0.96313162
   0.51726704  0.69641620  0.89494635
   0.64488677  0.80471218  0.57787898
   0.59609093  0.82591860  0.37098906
   0.86914073  0.23249018  0.09630625
   0.96876127  0.38441943  0.36543986
   0.33687812  0.13169654  0.62096879
   0.24538160  0.79893969  0.77797495
   0.06334843  1.17056380  0.18947943
   0.25598801  1.06624368 -0.00363809
   0.68054772  0.37351044  0.86505327
   0.92198246  0.45113688  0.61106937
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909664    0.154885   -0.120385
    -0.000000    9.845539   -0.155155
    -0.000000    0.000000   14.023820
   Si   O    H 
    32    64    10
Direct configuration=  1627
   0.17951709  0.18803367 -0.04447089
   0.36404993  0.07958297  0.37033213
   0.14959848  0.40231096  0.11919370
   0.38079940  0.34195977  0.25884314
   0.10136603  0.15804089  0.47636274
   0.43522951  0.14388830  0.84707102
   0.12708624  0.39843349  0.62595340
   0.37267853  0.39215049  0.75135743
   0.14178387  0.68058595  0.01626107
   0.40852640  0.58276730  0.36492224
   0.06929284  0.91930016  0.15069252
   0.32220821  0.83081435  0.25164496
   0.19108902  0.63974289  0.50232858
   0.36889531  0.65205776  0.86704131
   0.07121802  0.90608282  0.59549370
   0.33315355  1.00468253  0.68091281
   0.64586858  0.15294673  1.01719150
   0.85945739  0.13342082  0.35868421
   0.62666851  0.43162115  0.12541765
   0.87065077  0.30556478  0.17797957
   0.62372286  0.17410575  0.50096737
   0.88619172  0.10266205  0.86955596
   0.58991857  0.45290567  0.62217843
   0.78570062  0.36317240  0.79567048
   0.61392845  0.68108530 -0.00744881
   0.92766469  0.60432019  0.38097281
   0.58414533  0.91076756  0.14468787
   0.83318119  0.85827729  0.27380190
   0.65580867  0.65859970  0.46698345
   0.88787637  0.61356791  0.88964604
   0.60379811  0.91588178  0.62293580
   0.83568955  0.84571972  0.74377094
   0.09785876  0.07879514  0.13295072
   0.37785574  0.17823122  0.27498051
   0.14518287  0.31769485  0.01759740
   0.34056102  0.43263132  0.34988458
   0.53484328  0.38451286  0.22071647
   0.28947144  0.37580417  0.16858981
   0.23630507  0.10296197  0.43119094
   0.00226307  0.21438589  0.38467845
   0.02873847  0.05280823  0.54508938
   0.47295656  0.26298599  0.77442823
   0.11974221  0.29135864  0.53925876
   0.38249954  0.49464685  0.84457705
   0.43948106  0.47077909  0.66923157
   0.21773261  0.35282059  0.72103427
   0.30114740  0.23641966 -0.10791810
   0.03410334  0.15066537  0.90340247
   0.12705024  0.56713333  0.10717710
   0.36634068  0.67664196  0.27026519
   0.10851237  0.82944837  0.05347654
   0.35679608  0.92215521  0.34263913
   0.42620684  0.88723836  0.17614146
   0.15851530  0.86040654  0.23783291
   0.33448017  0.66649254  0.45091063
   0.07988209  0.61271821  0.41633159
   0.21111633  0.51391383  0.57158390
   0.30638319  0.72254450  0.77075171
   0.13586090  0.78474625  0.54361686
   0.37905530  1.01426112  0.79295377
   0.44386965  0.91518708  0.61728844
   0.17852067  0.94445695  0.67765430
   0.28407255  0.69392838 -0.03988258
   0.03643497  0.63866964  0.93088882
   0.62966704  0.07086085  0.11789733
   0.82090297  0.19915840  0.25341198
   0.61947110  0.31129022  0.04031374
   0.90135602  0.44920492  0.35079665
   0.02134082  0.36060194  0.19024750
   0.77938258  0.44026739  0.16847860
   0.75712483  0.16637510  0.43916403
   0.49491741  0.11207676  0.43722159
   0.66117745  0.06135993  0.58798311
   0.82861320  0.20031050  0.78257570
   0.58054731  0.32799104  0.54233862
   0.88260880  0.46024838  0.84770847
   0.97738488  0.44706036  0.66394582
   0.72118695  0.43245686  0.69841594
   0.78764660  0.11835320  0.96455414
   0.53457651  0.10444739  0.93928208
   0.56709587  0.55869223  0.06425069
   0.84181290  0.71088909  0.31331274
   0.63111568  0.82009986  0.04889098
   0.86785902  0.96540139  0.35916622
   0.91848883  0.88058148  0.18039882
   0.67994767  0.86543986  0.23566645
   0.81656780  0.63124152  0.47864522
   0.57696042  0.56562928  0.37587485
   0.60741477  0.59084695  0.56375234
   0.84634385  0.69379321  0.78133938
   0.61177549  0.80612145  0.44068903
   0.90094709  0.94822525  0.82609486
   0.93378927  0.85648246  0.64896786
   0.66809109  0.90372310  0.73490184
   0.76734404  0.65388066  0.96398326
   0.51852421  0.69789354  0.89472028
   0.65134599  0.80098487  0.57851332
   0.59343200  0.83210076  0.36861325
   0.86475867  0.22393617  0.09517511
   0.97183870  0.38251035  0.37029778
   0.33095973  0.12959554  0.62436042
   0.24388603  0.79207850  0.78330825
   0.07162365  1.16146567  0.18793571
   0.25458703  1.06625870 -0.00777834
   0.67828158  0.37496634  0.86681135
   0.91261873  0.45128983  0.61053910
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906838    0.155762   -0.120009
    -0.000000    9.845375   -0.159092
    -0.000000    0.000000   14.025054
   Si   O    H 
    32    64    10
Direct configuration=  1628
   0.18058652  0.18810822 -0.04437624
   0.36434048  0.08068469  0.37114834
   0.15016190  0.40219534  0.11803775
   0.37999991  0.34124709  0.25852095
   0.10043658  0.15905267  0.47574896
   0.43487993  0.14452160  0.84673522
   0.12709255  0.39778856  0.62608595
   0.37310189  0.39165856  0.75192767
   0.14212966  0.67939518  0.01637789
   0.40901048  0.58288298  0.36534264
   0.06909473  0.91936188  0.15038561
   0.32118466  0.83023675  0.25223659
   0.19303066  0.64007269  0.50193561
   0.36965166  0.65121106  0.86692864
   0.07150095  0.90503845  0.59636279
   0.33217772  1.00321044  0.68002116
   0.64759686  0.15366982  1.01729807
   0.85850434  0.13441080  0.35910856
   0.62538811  0.43107954  0.12596542
   0.87188164  0.30437052  0.17745708
   0.62413727  0.17481939  0.50152464
   0.88681447  0.10246118  0.87016258
   0.59045514  0.45175392  0.62164797
   0.78670842  0.36342466  0.79587890
   0.61441252  0.68109210 -0.00743720
   0.92791498  0.60431245  0.38062715
   0.58325220  0.91061584  0.14417599
   0.83247583  0.85857314  0.27428512
   0.65636210  0.65901775  0.46734071
   0.88875602  0.61392252  0.89010844
   0.60422617  0.91577210  0.62243632
   0.83536167  0.84687115  0.74373533
   0.09720622  0.07955316  0.13322682
   0.37689967  0.17785890  0.27472278
   0.14427686  0.32046247  0.01870193
   0.34067715  0.43342401  0.35126952
   0.53512303  0.38357545  0.22047095
   0.28992875  0.37553481  0.16751662
   0.23707110  0.10286442  0.43145679
   0.00104266  0.21695218  0.38472727
   0.02912527  0.05110342  0.54409387
   0.47113100  0.26200415  0.77373631
   0.11872614  0.28993865  0.53962259
   0.38455404  0.49353846  0.84517865
   0.44327538  0.47048300  0.66757610
   0.21737196  0.35400103  0.72138981
   0.30297435  0.23432971 -0.10780563
   0.03362444  0.15185611  0.90383409
   0.12587573  0.56754036  0.10818810
   0.36626096  0.67726954  0.26902783
   0.10989536  0.82909496  0.05346743
   0.35810220  0.92160293  0.34335868
   0.42494659  0.88597755  0.17507326
   0.15862459  0.86210035  0.23631296
   0.33504428  0.66660364  0.45081619
   0.07923172  0.61115103  0.41591829
   0.21193719  0.51426706  0.57125754
   0.30877654  0.72114143  0.77114045
   0.13712837  0.78547688  0.54268201
   0.37688334  1.01429115  0.79088300
   0.44369828  0.91512830  0.61766229
   0.18065097  0.94641514  0.67856455
   0.28599759  0.69335476 -0.03868530
   0.03385945  0.64006030  0.93102358
   0.62895313  0.07077538  0.11689399
   0.82075624  0.20005165  0.25430266
   0.62033636  0.31153651  0.03946586
   0.90066209  0.44738942  0.35112483
   0.02274396  0.36285883  0.19031971
   0.77824711  0.43958964  0.16802274
   0.75565392  0.16588509  0.44007085
   0.49507953  0.11208965  0.43809987
   0.66053951  0.06246258  0.58786906
   0.82972565  0.19905673  0.78383970
   0.58077733  0.32778130  0.54267646
   0.88241315  0.46013324  0.84753183
   0.97912577  0.44683691  0.66451271
   0.72072947  0.43225668  0.69885508
   0.78854392  0.11966749  0.96483577
   0.53455762  0.10492407  0.93853152
   0.56590513  0.55878214  0.06520786
   0.84359719  0.71074678  0.31458930
   0.63152384  0.82005651  0.04927612
   0.86712421  0.96596981  0.35916851
   0.91810878  0.88100495  0.17997799
   0.68045079  0.86407885  0.23568963
   0.81831179  0.63126107  0.47759858
   0.57671664  0.56466488  0.37613068
   0.60661576  0.59041951  0.56502200
   0.84559235  0.69476657  0.78218305
   0.61184298  0.80669583  0.44169676
   0.90196577  0.94951256  0.82742504
   0.93566753  0.85717462  0.64893822
   0.66901064  0.90259152  0.73474903
   0.76868926  0.65481723  0.96502819
   0.51979086  0.69938718  0.89491869
   0.65967517  0.79418111  0.57931281
   0.59053549  0.83450491  0.36981719
   0.86115608  0.21412016  0.09125166
   0.97288892  0.38049594  0.37579682
   0.32597721  0.12913459  0.62920216
   0.23493760  0.79338436  0.78988022
   0.07806086  1.14002674  0.18060207
   0.25035033  1.06508512 -0.01002344
   0.67583622  0.37593786  0.86973586
   0.90688614  0.45259305  0.61220618
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903870    0.156724   -0.119539
    -0.000000    9.845540   -0.161849
    -0.000000    0.000000   14.026411
   Si   O    H 
    32    64    10
Direct configuration=  1629
   0.18200509  0.18781926 -0.04421785
   0.36518144  0.08173709  0.37168498
   0.15061767  0.40273309  0.11697147
   0.37947035  0.34119393  0.25803275
   0.09940851  0.16000419  0.47488592
   0.43447509  0.14508316  0.84698496
   0.12719195  0.39779699  0.62643652
   0.37343863  0.39057701  0.75248697
   0.14234252  0.67844022  0.01642904
   0.40945924  0.58320207  0.36610353
   0.06830095  0.91888403  0.15045324
   0.31966311  0.82951776  0.25269618
   0.19522909  0.64073770  0.50152259
   0.37042372  0.65031853  0.86733393
   0.07098341  0.90435923  0.59714805
   0.33104441  1.00120371  0.67913262
   0.64930871  0.15391845  1.01773546
   0.85763940  0.13564799  0.35932585
   0.62441119  0.43065550  0.12619636
   0.87311535  0.30301685  0.17672037
   0.62374263  0.17564177  0.50220855
   0.88752117  0.10222562  0.87110002
   0.59094496  0.45140278  0.62097544
   0.78761351  0.36352556  0.79598669
   0.61468128  0.68092165 -0.00697269
   0.92744746  0.60334534  0.38041615
   0.58268817  0.91050568  0.14334447
   0.83180122  0.85924632  0.27500740
   0.65724744  0.65911842  0.46750603
   0.88907152  0.61457098  0.89085923
   0.60493519  0.91578735  0.62187562
   0.83495603  0.84806082  0.74392307
   0.09591196  0.07902577  0.13304461
   0.37707556  0.17709040  0.27456782
   0.14384354  0.32319051  0.01945480
   0.33997104  0.43367838  0.35229958
   0.53553894  0.38205854  0.22008745
   0.29069094  0.37469756  0.16654055
   0.23726297  0.10268994  0.43224474
  -0.00015734  0.21894046  0.38504536
   0.02919161  0.04908998  0.54377780
   0.46977238  0.26234287  0.77299372
   0.11730562  0.28911078  0.54042899
   0.38605474  0.49223570  0.84597100
   0.44654160  0.46997453  0.66579203
   0.21700189  0.35553165  0.72186258
   0.30534287  0.23218787 -0.10775987
   0.03399979  0.15393198  0.90458309
   0.12430078  0.56822244  0.10854786
   0.36668373  0.67739806  0.26811952
   0.11138131  0.82957931  0.05367674
   0.35989952  0.92159583  0.34382761
   0.42426050  0.88550099  0.17401528
   0.15886919  0.86407577  0.23513370
   0.33560846  0.66669481  0.45024147
   0.07867006  0.61103212  0.41557994
   0.21307428  0.51546722  0.57063115
   0.30992939  0.71997757  0.77203228
   0.13913352  0.78550960  0.54148719
   0.37448508  1.01451189  0.78922535
   0.44266451  0.91504151  0.61803358
   0.18248749  0.94917181  0.67922928
   0.28799335  0.69195672 -0.03776428
   0.03194373  0.64153421  0.93132973
   0.62833243  0.07011011  0.11587046
   0.82180940  0.20008519  0.25490359
   0.62061276  0.31203293  0.03884005
   0.90084389  0.44565498  0.35137474
   0.02436059  0.36477476  0.18980192
   0.77675587  0.43860314  0.16779581
   0.75367978  0.16620886  0.44050880
   0.49575239  0.11262893  0.43867859
   0.66005701  0.06388905  0.58756367
   0.83049840  0.19875932  0.78508923
   0.58171282  0.32629770  0.54273540
   0.88249247  0.46081957  0.84781610
   0.97999337  0.44612620  0.66407414
   0.71955788  0.43182833  0.69932765
   0.79027601  0.12149601  0.96521908
   0.53357674  0.10581189  0.93736359
   0.56483252  0.55987211  0.06572721
   0.84539951  0.71026266  0.31506999
   0.63152898  0.82002911  0.04989571
   0.86673601  0.96736446  0.35892635
   0.91765286  0.88148550  0.17958192
   0.67983555  0.86270088  0.23625148
   0.82006259  0.63198453  0.47594724
   0.57628444  0.56385737  0.37698001
   0.60551792  0.58925931  0.56600108
   0.84499768  0.69599472  0.78357592
   0.61171156  0.80817299  0.44233638
   0.90360960  0.95142495  0.82889142
   0.93636253  0.85856858  0.64973649
   0.67016606  0.90166351  0.73385259
   0.76986608  0.65606161  0.96557332
   0.52147843  0.69982882  0.89531299
   0.66682076  0.79059710  0.58061129
   0.59251603  0.83140112  0.37832961
   0.86226485  0.20960263  0.08787952
   0.96995397  0.38160972  0.37819058
   0.31972217  0.12991626  0.63209534
   0.23752008  0.78468183  0.79354781
   0.08117867  1.13183436  0.18404491
   0.24486985  1.06111838 -0.01227004
   0.67266624  0.37400820  0.87112889
   0.90826501  0.45478687  0.61654443
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900619    0.157575   -0.119534
    -0.000000    9.845050   -0.164658
    -0.000000    0.000000   14.028039
   Si   O    H 
    32    64    10
Direct configuration=  1630
   0.18301366  0.18752922 -0.04387954
   0.36663212  0.08217153  0.37179096
   0.15102296  0.40308321  0.11593877
   0.37929315  0.34131829  0.25746754
   0.09826140  0.16080395  0.47390807
   0.43390792  0.14549790  0.84698612
   0.12692077  0.39762454  0.62676178
   0.37388192  0.39015567  0.75302473
   0.14202944  0.67757396  0.01623133
   0.40977102  0.58280070  0.36689992
   0.06760627  0.91778699  0.15014972
   0.31908999  0.82940029  0.25281553
   0.19694928  0.64114788  0.50085693
   0.37167345  0.64973399  0.86761411
   0.07046759  0.90425555  0.59805040
   0.33065724  0.99892166  0.67818953
   0.65085036  0.15452308  1.01828029
   0.85709996  0.13711760  0.35883441
   0.62308138  0.43025280  0.12661803
   0.87414971  0.30187496  0.17596374
   0.62406358  0.17571716  0.50305200
   0.88751871  0.10184743  0.87166193
   0.59127393  0.45043212  0.62032944
   0.78763110  0.36345529  0.79604811
   0.61473705  0.68073697 -0.00662784
   0.92591635  0.60263770  0.38029460
   0.58223264  0.91117727  0.14247709
   0.83073427  0.85972030  0.27571487
   0.65808320  0.65870165  0.46790880
   0.88930705  0.61546718  0.89109778
   0.60604372  0.91577038  0.62160482
   0.83452729  0.84916101  0.74416582
   0.09545560  0.07777063  0.13252527
   0.37677716  0.17727769  0.27417805
   0.14378341  0.32528724  0.01995303
   0.33940421  0.43342437  0.35314042
   0.53627043  0.38157188  0.21989564
   0.29114361  0.37370165  0.16609241
   0.23712522  0.10328476  0.43307415
  -0.00060254  0.21953713  0.38586214
   0.02908789  0.04765552  0.54359641
   0.46792531  0.26222063  0.77206469
   0.11643495  0.28768270  0.54144794
   0.38736354  0.48997024  0.84700891
   0.44905766  0.46987457  0.66425933
   0.21587610  0.35724964  0.72207634
   0.30730279  0.23097088 -0.10859213
   0.03539094  0.15528207  0.90530959
   0.12222408  0.56879090  0.10836267
   0.36715347  0.67796734  0.26783783
   0.11312648  0.83035531  0.05371146
   0.36189011  0.92219722  0.34472131
   0.42395031  0.88514495  0.17234456
   0.16013901  0.86555692  0.23383801
   0.33644524  0.66685088  0.44977727
   0.07854786  0.61133243  0.41527043
   0.21387648  0.51652965  0.57038912
   0.30998402  0.72028239  0.77266595
   0.14094185  0.78656241  0.54016590
   0.37272747  1.01463429  0.78783225
   0.44161541  0.91471438  0.61864413
   0.18403859  0.95131464  0.68006642
   0.28949117  0.69075531 -0.03663405
   0.03088048  0.64296340  0.93193493
   0.62722681  0.06970203  0.11502251
   0.82278184  0.19917140  0.25609949
   0.62144376  0.31244797  0.03884859
   0.90114899  0.44413568  0.35155929
   0.02615369  0.36643377  0.18919505
   0.77518211  0.43779204  0.16757322
   0.75208885  0.16634468  0.44052905
   0.49680820  0.11399048  0.43999521
   0.66024216  0.06551506  0.58763172
   0.83170947  0.19955277  0.78654599
   0.58263905  0.32461574  0.54340488
   0.88282026  0.46134569  0.84826386
   0.98072155  0.44566686  0.66376708
   0.71851763  0.43107604  0.69915887
   0.79153460  0.12192939  0.96590683
   0.53272671  0.10635600  0.93686232
   0.56308189  0.56127030  0.06601000
   0.84743940  0.70956830  0.31505689
   0.63200360  0.82087911  0.05044910
   0.86705241  0.96862674  0.35863909
   0.91702665  0.88231704  0.17954829
   0.67856149  0.86132269  0.23635640
   0.82191291  0.63267304  0.47506441
   0.57606317  0.56308196  0.37785588
   0.60410340  0.58794898  0.56635360
   0.84448378  0.69668384  0.78537519
   0.61142222  0.80932365  0.44336418
   0.90526933  0.95228198  0.83016559
   0.93651685  0.85926131  0.65053900
   0.67182443  0.90061281  0.73284756
   0.77096210  0.65715288  0.96612971
   0.52347078  0.70032323  0.89580260
   0.67361620  0.79255952  0.58169753
   0.59403136  0.83107203  0.37734616
   0.86572104  0.21525832  0.08852095
   0.96521152  0.38189350  0.37678244
   0.31666711  0.13188340  0.63309333
   0.23867319  0.77369007  0.79376652
   0.08165825  1.14005132  0.19838066
   0.23787051  1.05534754 -0.01154460
   0.67102322  0.36676936  0.86901374
   0.90648731  0.45873178  0.62082593
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897381    0.158348   -0.119222
    -0.000000    9.844536   -0.167654
    -0.000000    0.000000   14.029466
   Si   O    H 
    32    64    10
Direct configuration=  1631
   0.18365868  0.18634781 -0.04362017
   0.36833256  0.08216321  0.37185492
   0.15090627  0.40380500  0.11532852
   0.37928718  0.34179730  0.25701169
   0.09709890  0.16135299  0.47286932
   0.43297115  0.14594150  0.84713300
   0.12660118  0.39738753  0.62668423
   0.37398113  0.38951857  0.75359622
   0.14187192  0.67681859  0.01556921
   0.41001906  0.58255080  0.36731071
   0.06739129  0.91693257  0.14996416
   0.31859802  0.82886128  0.25306734
   0.19817168  0.64115236  0.50040703
   0.37311162  0.64864823  0.86801384
   0.07021248  0.90515380  0.59881754
   0.33057533  0.99742326  0.67739250
   0.65232337  0.15564707  1.01818218
   0.85687704  0.13820817  0.35825156
   0.62194877  0.42944672  0.12669154
   0.87517828  0.30049331  0.17521600
   0.62424711  0.17502001  0.50357646
   0.88829436  0.10151751  0.87249279
   0.59229345  0.44912425  0.61981591
   0.78636072  0.36275195  0.79642924
   0.61447743  0.67985519 -0.00649252
   0.92442009  0.60193450  0.38072914
   0.58193460  0.91143045  0.14197850
   0.83026570  0.85976719  0.27639652
   0.65920128  0.65799418  0.46781124
   0.88940183  0.61674934  0.89038324
   0.60701487  0.91610580  0.62157778
   0.83397221  0.85060295  0.74480361
   0.09540379  0.07755900  0.13268739
   0.37670506  0.17848693  0.27385749
   0.14417582  0.32694645  0.02043349
   0.33821543  0.43317109  0.35375084
   0.53641636  0.38086004  0.21982763
   0.29086821  0.37278476  0.16604913
   0.23610628  0.10352637  0.43384590
  -0.00108081  0.21960386  0.38694707
   0.03008092  0.04619012  0.54342751
   0.46627342  0.26152342  0.77116408
   0.11629959  0.28608419  0.54247980
   0.38859959  0.48747219  0.84840262
   0.45073531  0.46999305  0.66292243
   0.21533991  0.35812947  0.72246589
   0.30891290  0.22930040 -0.10881550
   0.03719542  0.15687698  0.90526731
   0.12077813  0.56924715  0.10810643
   0.36674812  0.67793562  0.26789003
   0.11515671  0.83201405  0.05351068
   0.36297487  0.92331128  0.34540495
   0.42508522  0.88419688  0.17039594
   0.16249642  0.86691872  0.23312400
   0.33686574  0.66710814  0.44959422
   0.07935982  0.61211131  0.41529850
   0.21436347  0.51680067  0.57077170
   0.31109127  0.71989131  0.77266541
   0.14299983  0.78675054  0.53917328
   0.37151362  1.01529686  0.78668784
   0.44064361  0.91473396  0.61923383
   0.18390193  0.95286256  0.68115259
   0.29041683  0.68873586 -0.03592789
   0.02943158  0.64443907  0.93314683
   0.62540724  0.06932444  0.11414953
   0.82344511  0.19773891  0.25705369
   0.62219891  0.31356936  0.03838136
   0.90168996  0.44334221  0.35161965
   0.02753002  0.36712784  0.18851429
   0.77485638  0.43642384  0.16733041
   0.75082967  0.16606032  0.44036907
   0.49788962  0.11496715  0.44078582
   0.66116183  0.06647234  0.58765277
   0.83275516  0.20079525  0.78759455
   0.58383476  0.32238743  0.54351914
   0.88403218  0.46215218  0.84893804
   0.98163178  0.44448121  0.66306076
   0.71764337  0.43072305  0.69838435
   0.79319358  0.12254678  0.96614636
   0.53153549  0.10733123  0.93612071
   0.56202916  0.56214767  0.06641212
   0.84892069  0.70839045  0.31496006
   0.63142779  0.82231828  0.05082933
   0.86819178  0.96843891  0.35818307
   0.91557672  0.88313636  0.17939953
   0.67743930  0.86064002  0.23640271
   0.82427382  0.63306574  0.47459266
   0.57517940  0.56287992  0.37875018
   0.60268225  0.58779108  0.56692413
   0.84363795  0.69684305  0.78732866
   0.61151832  0.81072454  0.44432560
   0.90664292  0.95239136  0.83063370
   0.93658564  0.85971807  0.65146593
   0.67376175  0.89906651  0.73172445
   0.77239079  0.65752501  0.96661899
   0.52522358  0.70022560  0.89617269
   0.68015215  0.79690754  0.58279399
   0.59524991  0.83471683  0.37469826
   0.87145794  0.21877301  0.08890732
   0.96655403  0.37807113  0.37864270
   0.31737773  0.13350560  0.63236085
   0.22822217  0.77426549  0.79452417
   0.08555566  1.14146776  0.20228518
   0.23175002  1.05166640 -0.00926318
   0.67216648  0.35877662  0.86521045
   0.89863906  0.46449139  0.62380740
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894280    0.158501   -0.119034
    -0.000000    9.843833   -0.170381
    -0.000000    0.000000   14.030809
   Si   O    H 
    32    64    10
Direct configuration=  1632
   0.18426937  0.18566778 -0.04375748
   0.37023124  0.08159911  0.37240719
   0.15031057  0.40462554  0.11569891
   0.37910625  0.34298892  0.25652711
   0.09570208  0.16118136  0.47176788
   0.43214066  0.14593579  0.84701306
   0.12642059  0.39729967  0.62669868
   0.37400529  0.38917458  0.75365288
   0.14148798  0.67637132  0.01503342
   0.41000937  0.58239459  0.36728346
   0.06691523  0.91643366  0.14959510
   0.31839737  0.82833378  0.25316759
   0.19921835  0.64174542  0.50012689
   0.37438344  0.64860737  0.86862394
   0.07011197  0.90651061  0.59966773
   0.33116865  0.99659879  0.67651763
   0.65353997  0.15634186  1.01789411
   0.85654175  0.13870756  0.35843970
   0.62137033  0.42790580  0.12642231
   0.87679042  0.29946400  0.17435305
   0.62441710  0.17436689  0.50434984
   0.88939935  0.10119435  0.87317949
   0.59354458  0.44782447  0.61903014
   0.78453985  0.36165879  0.79642824
   0.61494263  0.67914331 -0.00626658
   0.92283371  0.60103541  0.38090231
   0.58189811  0.91188178  0.14196738
   0.82987069  0.85978524  0.27664189
   0.65981813  0.65741678  0.46801565
   0.88864598  0.61790525  0.88956040
   0.60814603  0.91587591  0.62144403
   0.83374254  0.85188466  0.74530224
   0.09521906  0.07789184  0.13302297
   0.37679740  0.17981846  0.27387891
   0.14459597  0.32777312  0.02007577
   0.33661068  0.43329795  0.35433690
   0.53669206  0.38011810  0.21915251
   0.29130441  0.37227199  0.16618317
   0.23529157  0.10376388  0.43449961
  -0.00175415  0.21953925  0.38792674
   0.03057849  0.04506013  0.54314869
   0.46621195  0.26051206  0.76988352
   0.11575480  0.28544681  0.54342888
   0.38924361  0.48474075  0.84994074
   0.45059082  0.47045991  0.66290641
   0.21472618  0.35939188  0.72238311
   0.30968514  0.22824454 -0.10825344
   0.03919038  0.15858727  0.90508444
   0.11974916  0.57020047  0.10775066
   0.36666951  0.67706814  0.26809605
   0.11783484  0.83288399  0.05345761
   0.36294722  0.92414505  0.34590951
   0.42748641  0.88331865  0.16831194
   0.16531164  0.86795725  0.23292924
   0.33676201  0.66694838  0.44918911
   0.08026636  0.61247022  0.41466986
   0.21500917  0.51704569  0.57084418
   0.31235016  0.72044960  0.77327192
   0.14555375  0.78624962  0.53821432
   0.37174340  1.01594643  0.78654903
   0.44053716  0.91442708  0.62005248
   0.18244441  0.95335115  0.68232125
   0.29097181  0.68592084 -0.03511759
   0.02802009  0.64621127  0.93407738
   0.62332939  0.06915254  0.11360090
   0.82389736  0.19594017  0.25768214
   0.62222894  0.31391217  0.03826839
   0.90201980  0.44333115  0.35168269
   0.02931041  0.36744092  0.18782161
   0.77433868  0.43489917  0.16742349
   0.75007758  0.16587316  0.43986713
   0.49897329  0.11591968  0.44117041
   0.66237131  0.06738276  0.58837885
   0.83450021  0.20266466  0.78830555
   0.58537873  0.32064503  0.54369879
   0.88552678  0.46339494  0.85013750
   0.98181915  0.44350586  0.66314893
   0.71661604  0.43025826  0.69747834
   0.79485184  0.12255346  0.96625371
   0.53093816  0.10790188  0.93555168
   0.56119592  0.56295701  0.06664653
   0.85028105  0.70751251  0.31453080
   0.63112515  0.82416275  0.05092770
   0.86930842  0.96903435  0.35735357
   0.91343808  0.88364083  0.17982063
   0.67600336  0.86021074  0.23608075
   0.82674377  0.63354669  0.47449569
   0.57554183  0.56275255  0.37941184
   0.60111667  0.58897140  0.56755148
   0.84270876  0.69676564  0.78979657
   0.61112394  0.81357800  0.44459452
   0.90785835  0.95210656  0.83090150
   0.93616216  0.86019142  0.65257886
   0.67576758  0.89673633  0.73071173
   0.77400271  0.65797628  0.96731526
   0.52664868  0.69961551  0.89685725
   0.68735793  0.80210299  0.58720799
   0.59492289  0.83776384  0.37407319
   0.87524234  0.22316730  0.09006190
   0.96795031  0.37675125  0.37960127
   0.31759212  0.13690984  0.63238916
   0.22559347  0.76952227  0.79261389
   0.08985890  1.13421626  0.19665156
   0.22502706  1.04862309 -0.00652788
   0.67353851  0.35090251  0.86114409
   0.89557257  0.46870078  0.62754447
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891610    0.158728   -0.119028
    -0.000000    9.842886   -0.173068
    -0.000000    0.000000   14.032332
   Si   O    H 
    32    64    10
Direct configuration=  1633
   0.18426778  0.18512570 -0.04402643
   0.37226737  0.08197201  0.37294959
   0.14960475  0.40575650  0.11627008
   0.37961733  0.34413817  0.25582537
   0.09484254  0.16088478  0.47106144
   0.43132701  0.14585692  0.84681330
   0.12657039  0.39717068  0.62634196
   0.37373313  0.38948007  0.75344960
   0.14170938  0.67667662  0.01484941
   0.40995307  0.58245061  0.36724971
   0.06619567  0.91651828  0.14886384
   0.31861175  0.82757503  0.25264612
   0.19954567  0.64215467  0.50008174
   0.37561732  0.64819486  0.86944698
   0.06967372  0.90833554  0.60029976
   0.33192918  0.99625102  0.67578452
   0.65430504  0.15755042  1.01744636
   0.85650194  0.13877603  0.35903962
   0.62054040  0.42623456  0.12587573
   0.87835269  0.29845158  0.17406666
   0.62377513  0.17425554  0.50511141
   0.89020361  0.10149094  0.87373208
   0.59406577  0.44639754  0.61838544
   0.78332971  0.36094725  0.79635966
   0.61508843  0.67877206 -0.00592347
   0.92138546  0.59999808  0.38119236
   0.58246007  0.91259973  0.14188651
   0.82926166  0.85955292  0.27662519
   0.66027703  0.65711381  0.46828115
   0.88768204  0.61937212  0.88895889
   0.60896477  0.91607574  0.62129436
   0.83403259  0.85356079  0.74560552
   0.09479112  0.07759236  0.13362988
   0.37682780  0.18144739  0.27372630
   0.14473475  0.32736988  0.01962725
   0.33492947  0.43336368  0.35459576
   0.53622934  0.37930219  0.21821330
   0.29090017  0.37153780  0.16652121
   0.23473179  0.10362095  0.43513477
  -0.00188776  0.21939275  0.38872151
   0.03126535  0.04420948  0.54289203
   0.46623989  0.25958293  0.76906142
   0.11539821  0.28462094  0.54411723
   0.38997385  0.48239507  0.85179743
   0.44945926  0.47136169  0.66304318
   0.21388259  0.36051138  0.72258509
   0.31034505  0.22830892 -0.10723841
   0.04088208  0.16025759  0.90504822
   0.11930115  0.57163561  0.10751707
   0.36689186  0.67609796  0.26900416
   0.11993855  0.83387571  0.05407821
   0.36316707  0.92531902  0.34597950
   0.42963612  0.88296528  0.16686638
   0.16777076  0.86919404  0.23286161
   0.33699729  0.66680968  0.44913522
   0.08072461  0.61337787  0.41405908
   0.21555691  0.51766009  0.57103030
   0.31307118  0.72114967  0.77383641
   0.14791048  0.78663066  0.53726088
   0.37193780  1.01664981  0.78664164
   0.44131655  0.91347826  0.62034278
   0.18035628  0.95372100  0.68361497
   0.29047656  0.68307907 -0.03407738
   0.02748644  0.64871926  0.93578256
   0.62118161  0.06913636  0.11252514
   0.82503838  0.19423817  0.25788076
   0.62257822  0.31452226  0.03828938
   0.90219704  0.44378238  0.35228958
   0.03044023  0.36774692  0.18717064
   0.77319599  0.43391619  0.16681073
   0.74959283  0.16590464  0.43896052
   0.49958796  0.11743678  0.44158991
   0.66217648  0.06805121  0.58972778
   0.83619348  0.20495462  0.78897253
   0.58617973  0.31913103  0.54386214
   0.88742750  0.46434169  0.85093915
   0.98170273  0.44210542  0.66389311
   0.71631956  0.42979571  0.69635976
   0.79641612  0.12244752  0.96680723
   0.53003095  0.10890764  0.93466986
   0.56045185  0.56365440  0.06692188
   0.85216692  0.70713779  0.31349744
   0.63071342  0.82584989  0.05086839
   0.87077001  0.97015584  0.35729329
   0.91164185  0.88408014  0.18001126
   0.67432217  0.86048002  0.23607522
   0.82947084  0.63357948  0.47436025
   0.57582043  0.56330300  0.38005622
   0.59983372  0.59037754  0.56778240
   0.84253014  0.69668055  0.79223600
   0.61028194  0.81668471  0.44424234
   0.90939259  0.95262714  0.83110915
   0.93619951  0.86048364  0.65379411
   0.67758797  0.89386786  0.73021887
   0.77576077  0.65882499  0.96812029
   0.52833103  0.69945686  0.89763331
   0.69481138  0.80595401  0.58771615
   0.59730615  0.84125695  0.37534453
   0.87701886  0.22598171  0.08898134
   0.96848339  0.37784196  0.37987341
   0.31852770  0.13673190  0.63060574
   0.22879777  0.75948385  0.78619375
   0.09376993  1.12186245  0.18596626
   0.22008441  1.04864309 -0.00351707
   0.66835131  0.34968545  0.85883785
   0.89992312  0.47003761  0.63391556
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889112    0.157946   -0.119013
    -0.000000    9.842063   -0.175847
    -0.000000    0.000000   14.034253
   Si   O    H 
    32    64    10
Direct configuration=  1634
   0.18397649  0.18479212 -0.04435436
   0.37480564  0.08233451  0.37361396
   0.14857762  0.40728493  0.11693376
   0.37992663  0.34518806  0.25518818
   0.09372415  0.16062732  0.47084523
   0.43075332  0.14576657  0.84632014
   0.12763016  0.39764849  0.62530912
   0.37335109  0.38975528  0.75305379
   0.14169026  0.67635000  0.01474680
   0.41026769  0.58250111  0.36680139
   0.06558103  0.91634926  0.14835004
   0.31964002  0.82748648  0.25198061
   0.19945564  0.64350241  0.50006915
   0.37658462  0.64782275  0.87056175
   0.06990786  0.90968154  0.60082075
   0.33277750  0.99698097  0.67507766
   0.65448988  0.15835540  1.01668741
   0.85740010  0.13885794  0.35983664
   0.62009409  0.42530491  0.12517294
   0.87994136  0.29784536  0.17433434
   0.62288504  0.17376210  0.50612473
   0.89090215  0.10215862  0.87419359
   0.59444008  0.44489256  0.61792601
   0.78238797  0.36027609  0.79657620
   0.61612997  0.67853791 -0.00564752
   0.92068467  0.59843911  0.38186047
   0.58377783  0.91344014  0.14217324
   0.82955998  0.85932690  0.27682990
   0.66054416  0.65645406  0.46826939
   0.88637127  0.62027666  0.88791884
   0.60977688  0.91617015  0.62158212
   0.83504861  0.85552684  0.74601502
   0.09450984  0.07534593  0.13313771
   0.37627252  0.18271882  0.27407780
   0.14526139  0.32642735  0.01898393
   0.33405766  0.43350360  0.35424084
   0.53603558  0.37859836  0.21717599
   0.29080525  0.37230025  0.16714493
   0.23464434  0.10345604  0.43522523
  -0.00184960  0.21880531  0.38896187
   0.03193688  0.04359209  0.54310332
   0.46836182  0.25966381  0.76841209
   0.11462720  0.28463552  0.54529998
   0.39056793  0.48054883  0.85342575
   0.44760225  0.47169691  0.66363022
   0.21236199  0.36156299  0.72285751
   0.31046611  0.22815177 -0.10617434
   0.04252295  0.16194652  0.90504098
   0.11909040  0.57367430  0.10747693
   0.36619160  0.67485671  0.27022111
   0.12121324  0.83514751  0.05462482
   0.36364345  0.92573675  0.34599565
   0.43141449  0.88197822  0.16574280
   0.17009414  0.87132552  0.23381833
   0.33785135  0.66650764  0.44881206
   0.08104283  0.61451462  0.41355071
   0.21608355  0.51838142  0.57147102
   0.31472168  0.72258023  0.77399649
   0.14976654  0.78761402  0.53736828
   0.37208860  1.01736413  0.78695375
   0.44305336  0.91227609  0.62075309
   0.17783088  0.95362027  0.68495587
   0.28973818  0.67954054 -0.03279395
   0.02759850  0.65193513  0.93774533
   0.61885682  0.06840201  0.11172151
   0.82667443  0.19344924  0.25624764
   0.62249879  0.31499381  0.03783643
   0.90167247  0.44376420  0.35259612
   0.03075885  0.36814656  0.18725654
   0.77178012  0.43348421  0.16654185
   0.74915560  0.16668162  0.43789755
   0.49976403  0.11895611  0.44179379
   0.66100055  0.06855039  0.59104526
   0.83810038  0.20631599  0.78959681
   0.58678024  0.31858323  0.54399403
   0.88935078  0.46437407  0.85157821
   0.98115331  0.44122816  0.66452829
   0.71662154  0.42859839  0.69568706
   0.79793207  0.12193825  0.96733326
   0.52962661  0.10973669  0.93353098
   0.55892598  0.56414366  0.06719771
   0.85354008  0.70781869  0.31270979
   0.62969185  0.82725851  0.05105724
   0.87242887  0.97228168  0.35727397
   0.91026499  0.88395273  0.18019822
   0.67167648  0.86033432  0.23599142
   0.83078320  0.63419715  0.47431109
   0.57675540  0.56417125  0.38093759
   0.59875581  0.59221773  0.56702937
   0.84253825  0.69683104  0.79438864
   0.60983515  0.81952180  0.44354972
   0.91078770  0.95352498  0.83106046
   0.93577444  0.86070601  0.65536285
   0.67889865  0.89186534  0.73004435
   0.77701638  0.65908986  0.96866032
   0.53034604  0.69921949  0.89870556
   0.70353603  0.80965313  0.58765274
   0.60025819  0.84312049  0.37749592
   0.87507320  0.22691833  0.08491407
   0.96633656  0.38158087  0.38109433
   0.31884366  0.13554285  0.62741677
   0.22371493  0.75868556  0.77990532
   0.09580024  1.13313743  0.19531804
   0.21674494  1.05182123 -0.00075470
   0.66433598  0.34871124  0.85865422
   0.89942784  0.47401540  0.63674844
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886541    0.156532   -0.118906
    -0.000000    9.841317   -0.178681
    -0.000000    0.000000   14.035839
   Si   O    H 
    32    64    10
Direct configuration=  1635
   0.18360218  0.18427348 -0.04450021
   0.37674282  0.08284299  0.37416321
   0.14741820  0.40815550  0.11743737
   0.38078612  0.34593793  0.25477491
   0.09273470  0.16030934  0.47093317
   0.42989854  0.14523029  0.84586851
   0.12897071  0.39865336  0.62412138
   0.37306897  0.39040293  0.75273938
   0.14127348  0.67646998  0.01486258
   0.41062485  0.58286950  0.36606065
   0.06489206  0.91623970  0.14808574
   0.32161103  0.82735333  0.25150570
   0.19912632  0.64486805  0.49999485
   0.37723556  0.64808936  0.87164487
   0.07080833  0.91068706  0.60125153
   0.33303872  0.99781185  0.67403571
   0.65490961  0.15859868  1.01594692
   0.85809955  0.13829178  0.36089598
   0.62006416  0.42477239  0.12454941
   0.88100853  0.29710945  0.17456970
   0.62205266  0.17345887  0.50741013
   0.89173457  0.10303646  0.87469128
   0.59459697  0.44405066  0.61785032
   0.78107515  0.36000044  0.79643389
   0.61732158  0.67869508 -0.00525686
   0.92000639  0.59707137  0.38292019
   0.58494523  0.91403501  0.14236803
   0.82973917  0.85883539  0.27691082
   0.66052937  0.65597014  0.46855667
   0.88518404  0.62089420  0.88737421
   0.61047661  0.91618106  0.62147089
   0.83651127  0.85779924  0.74696140
   0.09450265  0.07440175  0.13282484
   0.37672560  0.18283096  0.27547533
   0.14532245  0.32493129  0.01830271
   0.33363401  0.43354640  0.35309137
   0.53515837  0.37752426  0.21671835
   0.29004912  0.37271704  0.16748890
   0.23479435  0.10279193  0.43509475
  -0.00214279  0.21697214  0.38905121
   0.03208442  0.04306781  0.54369831
   0.47093338  0.25933570  0.76756379
   0.11389768  0.28445306  0.54660806
   0.39048459  0.47954421  0.85467078
   0.44500245  0.47210651  0.66414337
   0.21057711  0.36237681  0.72289262
   0.30999084  0.22803686 -0.10463931
   0.04366068  0.16298418  0.90470840
   0.11974952  0.57509797  0.10703937
   0.36539261  0.67305191  0.27161057
   0.12161547  0.83678944  0.05529241
   0.36458074  0.92459417  0.34620322
   0.43255462  0.88009609  0.16524982
   0.17162478  0.87322825  0.23403950
   0.33889502  0.66712680  0.44890131
   0.08199313  0.61639784  0.41309791
   0.21565264  0.51907599  0.57208668
   0.31628438  0.72398217  0.77444914
   0.15124893  0.78976063  0.53707717
   0.37179488  1.01818143  0.78749001
   0.44538476  0.91067697  0.62054374
   0.17515617  0.95289359  0.68623742
   0.28894451  0.67567488 -0.03129120
   0.02648743  0.65543706  0.93855975
   0.61723408  0.06735341  0.11061035
   0.82851067  0.19248036  0.25439684
   0.62182361  0.31561792  0.03729287
   0.90092473  0.44385321  0.35240180
   0.03118339  0.36793075  0.18737732
   0.77112942  0.43334776  0.16626225
   0.74902520  0.16750375  0.43683198
   0.50007686  0.11965103  0.44243907
   0.65958070  0.06952745  0.59230940
   0.83937734  0.20785169  0.79009762
   0.58661759  0.31890397  0.54449440
   0.89232931  0.46430019  0.85264309
   0.98130847  0.44045161  0.66498896
   0.71816743  0.42686415  0.69502127
   0.79909662  0.12100862  0.96790022
   0.52938985  0.10998682  0.93201847
   0.55779602  0.56464186  0.06817194
   0.85457632  0.70858314  0.31196255
   0.62879072  0.82809550  0.05114675
   0.87417360  0.97457217  0.35730641
   0.90912553  0.88374120  0.18079942
   0.66933881  0.86024938  0.23565098
   0.83088871  0.63515406  0.47523746
   0.57821320  0.56526236  0.38183151
   0.59729745  0.59464353  0.56590592
   0.84232067  0.69806522  0.79620002
   0.60945366  0.82111951  0.44315435
   0.91119013  0.95413433  0.83113898
   0.93577067  0.85966252  0.65628641
   0.67996003  0.89037896  0.72977069
   0.77700652  0.65953227  0.96964501
   0.53291867  0.69859204  0.89965448
   0.71156520  0.81288757  0.58441494
   0.60014738  0.84185427  0.37836703
   0.87419271  0.22675992  0.08073398
   0.96632571  0.38362461  0.38131221
   0.32029833  0.13214459  0.62473240
   0.21715815  0.75725345  0.77475576
   0.09967968  1.14024783  0.19754782
   0.21692395  1.05631115  0.00000352
   0.65980425  0.35036278  0.85849636
   0.89792660  0.47744177  0.63849043
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884121    0.155511   -0.118550
    -0.000000    9.841065   -0.181455
    -0.000000    0.000000   14.037503
   Si   O    H 
    32    64    10
Direct configuration=  1636
   0.18299133  0.18435273 -0.04452691
   0.37838363  0.08356973  0.37452571
   0.14608508  0.40918383  0.11787696
   0.38159777  0.34603061  0.25486735
   0.09254266  0.15959984  0.47146343
   0.42931159  0.14510640  0.84556443
   0.13008161  0.39943101  0.62329276
   0.37242958  0.39088733  0.75254203
   0.14087727  0.67646762  0.01475828
   0.41083889  0.58276425  0.36529436
   0.06399005  0.91613912  0.14771310
   0.32382172  0.82737588  0.25095588
   0.19844882  0.64598452  0.50010653
   0.37745232  0.64856584  0.87250294
   0.07150026  0.91148392  0.60183354
   0.33284974  0.99871190  0.67311842
   0.65473680  0.15858948  1.01529404
   0.85860159  0.13754323  0.36193066
   0.62060300  0.42519954  0.12413196
   0.88099108  0.29701530  0.17440706
   0.62167095  0.17291001  0.50862019
   0.89340342  0.10423520  0.87502768
   0.59425717  0.44356591  0.61797210
   0.78015253  0.36045675  0.79662030
   0.61839251  0.67939725 -0.00459952
   0.91900500  0.59485157  0.38426281
   0.58582696  0.91375437  0.14247278
   0.82956920  0.85867621  0.27677060
   0.66030272  0.65534619  0.46860196
   0.88396869  0.62129603  0.88711781
   0.61149762  0.91576570  0.62140279
   0.83770126  0.85965952  0.74817113
   0.09478545  0.07390478  0.13356464
   0.37788484  0.18283940  0.27727632
   0.14562479  0.32357548  0.01774066
   0.33286553  0.43338085  0.35201572
   0.53390270  0.37716438  0.21648819
   0.28871474  0.37268614  0.16795672
   0.23555012  0.10227390  0.43400300
  -0.00221822  0.21524474  0.38875487
   0.03104239  0.04272589  0.54406005
   0.47383580  0.26037661  0.76613467
   0.11303306  0.28419396  0.54743606
   0.38932798  0.47928655  0.85564479
   0.44314247  0.47210515  0.66416042
   0.20950803  0.36321692  0.72274879
   0.30897916  0.22773997 -0.10260378
   0.04417088  0.16323869  0.90399022
   0.12098211  0.57684718  0.10658994
   0.36461565  0.67023992  0.27322638
   0.12104353  0.83779657  0.05627987
   0.36597655  0.92297490  0.34636073
   0.43277073  0.87900344  0.16514118
   0.17210584  0.87519502  0.23420693
   0.33984011  0.66741864  0.44938458
   0.08310291  0.61772823  0.41238906
   0.21486768  0.51926622  0.57293859
   0.31728038  0.72496330  0.77461329
   0.15235686  0.79197254  0.53707324
   0.37216048  1.01961656  0.78807611
   0.44844456  0.90858441  0.61967272
   0.17325464  0.95215017  0.68730423
   0.28741817  0.67200776 -0.03048270
   0.02523896  0.65844203  0.93921672
   0.61532392  0.06663918  0.10934147
   0.82999629  0.19093436  0.25333183
   0.62133211  0.31564165  0.03655113
   0.89902646  0.44319442  0.35223400
   0.03217877  0.36719953  0.18789191
   0.77060697  0.43296572  0.16589917
   0.74857138  0.16815271  0.43632856
   0.49964761  0.11907832  0.44336083
   0.65719914  0.07019302  0.59388095
   0.84022961  0.20986894  0.79040589
   0.58659375  0.31916446  0.54507883
   0.89458830  0.46410380  0.85310393
   0.98214481  0.43987107  0.66582070
   0.71953915  0.42515159  0.69471700
   0.80060287  0.11939387  0.96858732
   0.53055782  0.11039465  0.93065473
   0.55655775  0.56502529  0.06876072
   0.85558160  0.70994278  0.31136948
   0.62851624  0.82783800  0.05053138
   0.87558761  0.97651743  0.35748289
   0.90839764  0.88323644  0.18093414
   0.66719375  0.85984711  0.23603739
   0.83073347  0.63628290  0.47626171
   0.57923447  0.56672807  0.38290709
   0.59480267  0.59695030  0.56485518
   0.84229004  0.70069428  0.79740044
   0.60933401  0.82257622  0.44319845
   0.91177321  0.95459125  0.83109703
   0.93551139  0.85854622  0.65701409
   0.68031540  0.88974242  0.72998819
   0.77611004  0.65941280  0.97014959
   0.53466995  0.69753221  0.90037597
   0.71573408  0.81580276  0.57946446
   0.59946832  0.83920781  0.37199422
   0.87542792  0.22842986  0.07792554
   0.96779203  0.38347045  0.38073758
   0.32244033  0.12735306  0.62246610
   0.22089935  0.74994862  0.76884448
   0.10187597  1.13820167  0.18768266
   0.21863416  1.05714973 -0.00182552
   0.65732755  0.35321253  0.85711855
   0.90128443  0.48011422  0.64049478
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881863    0.154853   -0.118070
    -0.000000    9.840659   -0.184005
    -0.000000    0.000000   14.039171
   Si   O    H 
    32    64    10
Direct configuration=  1637
   0.18240146  0.18423533 -0.04403418
   0.38013185  0.08423880  0.37481502
   0.14524143  0.41012939  0.11820340
   0.38175527  0.34594814  0.25524394
   0.09306053  0.15873255  0.47181797
   0.42853281  0.14539067  0.84546061
   0.13140718  0.40022822  0.62222591
   0.37206800  0.39113979  0.75251428
   0.14032785  0.67610798  0.01479243
   0.41115522  0.58162503  0.36481847
   0.06291296  0.91609026  0.14758326
   0.32578150  0.82783389  0.25006647
   0.19716260  0.64646466  0.50025173
   0.37803404  0.64925164  0.87332294
   0.07218731  0.91193203  0.60192087
   0.33278299  0.99965817  0.67246891
   0.65457516  0.15828452  1.01459226
   0.85925969  0.13658357  0.36230765
   0.62048191  0.42518006  0.12353386
   0.88063460  0.29718542  0.17388639
   0.62126300  0.17221387  0.50982479
   0.89520038  0.10503429  0.87504622
   0.59416918  0.44315908  0.61800223
   0.77909139  0.36179581  0.79673192
   0.61896175  0.68005115 -0.00342116
   0.91886372  0.59296771  0.38537628
   0.58705039  0.91389544  0.14245678
   0.82907867  0.85876162  0.27660747
   0.65942013  0.65437379  0.46862247
   0.88292640  0.62158488  0.88739180
   0.61312338  0.91541204  0.62151845
   0.83908251  0.86120404  0.74971720
   0.09564734  0.07442661  0.13436865
   0.37846269  0.18295568  0.27876852
   0.14651292  0.32245380  0.01757540
   0.33234695  0.43376610  0.35106579
   0.53334795  0.37743824  0.21596228
   0.28753122  0.37329485  0.16820959
   0.23637445  0.10123166  0.43291434
  -0.00354965  0.21465307  0.38764831
   0.03062989  0.04268820  0.54389817
   0.47695695  0.26021831  0.76473759
   0.11236976  0.28315179  0.54863006
   0.38802785  0.48009496  0.85606086
   0.44207348  0.47180582  0.66397186
   0.20961511  0.36432877  0.72237375
   0.30787438  0.22769229 -0.10078787
   0.04409163  0.16313022  0.90334279
   0.12237954  0.57757632  0.10579848
   0.36423114  0.66714935  0.27512137
   0.12036483  0.83820152  0.05639693
   0.36731872  0.92097096  0.34673953
   0.43238986  0.87798910  0.16532998
   0.17177583  0.87584306  0.23432093
   0.34070918  0.66794975  0.45007706
   0.08442344  0.61867233  0.41155328
   0.21355167  0.51944128  0.57418594
   0.31767671  0.72600971  0.77509150
   0.15346480  0.79426413  0.53706872
   0.37245257  1.02009985  0.78789442
   0.45147606  0.90578654  0.61905230
   0.17191628  0.95141819  0.68830345
   0.28604842  0.66868962 -0.02972491
   0.02371135  0.66129913  0.93917406
   0.61340023  0.06610920  0.10791044
   0.83099143  0.18982664  0.25218851
   0.62037635  0.31600824  0.03533694
   0.89650623  0.44243668  0.35215453
   0.03239030  0.36640859  0.18965897
   0.76985322  0.43337741  0.16478120
   0.74841818  0.16866826  0.43602660
   0.49974575  0.11880966  0.44420915
   0.65448675  0.07156944  0.59516032
   0.84106088  0.21098256  0.79048631
   0.58635109  0.31997584  0.54604866
   0.89597668  0.46395525  0.85330009
   0.98391735  0.43854937  0.66709242
   0.72113873  0.42361862  0.69423904
   0.80113998  0.11752839  0.96872008
   0.53203555  0.11035507  0.92943217
   0.55583051  0.56514072  0.06904886
   0.85680060  0.71145526  0.31148296
   0.62896789  0.82701604  0.04947366
   0.87670314  0.97809678  0.35719402
   0.90787346  0.88263640  0.18067494
   0.66500378  0.85944376  0.23640487
   0.82913545  0.63759922  0.47678398
   0.58044660  0.56837543  0.38405759
   0.59248838  0.59924952  0.56441393
   0.84205283  0.70330666  0.79830890
   0.61042199  0.82299932  0.44296340
   0.91174444  0.95573952  0.83128232
   0.93534021  0.85729321  0.65731715
   0.68070511  0.88923022  0.73010768
   0.77598529  0.65928765  0.97115328
   0.53659603  0.69745571  0.90082065
   0.71449991  0.82178160  0.57607128
   0.59778090  0.83931175  0.36778731
   0.87743077  0.23404323  0.07952996
   0.97009797  0.37856021  0.38002715
   0.32325369  0.12680917  0.62253643
   0.22651365  0.74312597  0.76259262
   0.10041745  1.13389435  0.17848291
   0.22357691  1.05880528 -0.00122693
   0.65976445  0.35675032  0.85416632
   0.89743652  0.48244584  0.64005747
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879925    0.154721   -0.116909
    -0.000000    9.840315   -0.186652
    -0.000000    0.000000   14.040220
   Si   O    H 
    32    64    10
Direct configuration=  1638
   0.18183009  0.18412204 -0.04386313
   0.38126834  0.08489484  0.37491514
   0.14463712  0.41173913  0.11822735
   0.38222928  0.34571256  0.25584593
   0.09400004  0.15815195  0.47256674
   0.42772672  0.14630799  0.84544415
   0.13265917  0.40180034  0.62175355
   0.37155704  0.39130222  0.75245718
   0.13942107  0.67648017  0.01557002
   0.41127742  0.58027315  0.36451335
   0.06242160  0.91557947  0.14763486
   0.32766259  0.82890242  0.24946077
   0.19541820  0.64686478  0.50036855
   0.37886619  0.64954844  0.87407660
   0.07337120  0.91231475  0.60166670
   0.33207608  1.00004216  0.67180214
   0.65385560  0.15774915  1.01370256
   0.85977133  0.13566408  0.36254549
   0.61986789  0.42546405  0.12304155
   0.88047694  0.29802028  0.17345103
   0.62146465  0.17064176  0.51039719
   0.89746382  0.10626626  0.87505347
   0.59382640  0.44275415  0.61846457
   0.77834092  0.36355121  0.79699582
   0.61966443  0.68044286 -0.00178637
   0.91894995  0.59159959  0.38666961
   0.58772823  0.91339791  0.14184977
   0.82822111  0.85888470  0.27668628
   0.65865242  0.65425220  0.46842027
   0.88241030  0.62201949  0.88768344
   0.61484129  0.91510473  0.62192541
   0.84043630  0.86253814  0.75152653
   0.09613774  0.07314227  0.13407825
   0.38000487  0.18363875  0.28023776
   0.14727059  0.32179984  0.01774323
   0.33232470  0.43398504  0.35004814
   0.53346991  0.37754701  0.21526930
   0.28704752  0.37376851  0.16822018
   0.23663360  0.10135558  0.43190521
  -0.00402178  0.21342906  0.38667179
   0.02982464  0.04283963  0.54313832
   0.47978699  0.25930808  0.76397858
   0.11213556  0.28254928  0.54936911
   0.38602755  0.48133896  0.85713009
   0.44217184  0.47158473  0.66383832
   0.21068788  0.36490292  0.72190215
   0.30709093  0.22702655 -0.09935644
   0.04425518  0.16208991  0.90295233
   0.12461478  0.57854439  0.10515822
   0.36266638  0.66448288  0.27597496
   0.11882547  0.83889536  0.05632153
   0.36906052  0.91981791  0.34694307
   0.43114918  0.87645369  0.16591042
   0.17045852  0.87568340  0.23407051
   0.34081155  0.66846461  0.45133125
   0.08582919  0.61991877  0.41059151
   0.21233571  0.52058239  0.57482229
   0.31865835  0.72722749  0.77619619
   0.15485303  0.79654229  0.53786506
   0.37188865  1.02009427  0.78780090
   0.45287317  0.90272366  0.61883121
   0.17221108  0.95008857  0.68826833
   0.28446431  0.66568929 -0.02858339
   0.02130985  0.66360272  0.93891625
   0.61186488  0.06564891  0.10642540
   0.83248125  0.18919939  0.25097398
   0.61966200  0.31583383  0.03490060
   0.89417880  0.44119549  0.35228770
   0.03242423  0.36534046  0.19096202
   0.76960076  0.43304083  0.16393891
   0.74814450  0.17046480  0.43565836
   0.49921129  0.11865008  0.44550397
   0.65177539  0.07229199  0.59640367
   0.84129313  0.21210540  0.79075037
   0.58608002  0.32080733  0.54711153
   0.89693767  0.46360090  0.85321937
   0.98495794  0.43812017  0.66842341
   0.72253210  0.42271780  0.69332238
   0.80115946  0.11530378  0.96915950
   0.53435690  0.11040018  0.92871187
   0.55568138  0.56437929  0.06999560
   0.85833568  0.71209961  0.31154700
   0.62942132  0.82639804  0.04789024
   0.87788189  0.97812599  0.35622582
   0.90843255  0.88175342  0.18007828
   0.66445350  0.85860056  0.23693829
   0.82718830  0.63952786  0.47733013
   0.58124513  0.57032406  0.38523579
   0.59047958  0.60080645  0.56421120
   0.84173658  0.70678795  0.79900708
   0.61140439  0.82322204  0.44188639
   0.91189294  0.95721923  0.83175425
   0.93518902  0.85615739  0.65704955
   0.68094053  0.88949757  0.72972098
   0.77592394  0.65855547  0.97168985
   0.53774946  0.69663925  0.90066306
   0.71104603  0.83003171  0.57457100
   0.59394478  0.83522723  0.37000422
   0.88261240  0.23800509  0.08197803
   0.97043227  0.37771494  0.37733789
   0.32632046  0.12849705  0.62225766
   0.22409796  0.74081541  0.75742786
   0.10257010  1.15538448  0.18745363
   0.22995657  1.06000328  0.00102557
   0.66022319  0.36393029  0.84872108
   0.90249961  0.47917819  0.64169343
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877994    0.154325   -0.115977
    -0.000000    9.840190   -0.189196
    -0.000000    0.000000   14.041334
   Si   O    H 
    32    64    10
Direct configuration=  1639
   0.18086082  0.18409905 -0.04314272
   0.38173278  0.08588131  0.37481937
   0.14406270  0.41330674  0.11810136
   0.38268884  0.34499443  0.25611044
   0.09536807  0.15800998  0.47366313
   0.42729798  0.14696315  0.84554791
   0.13397567  0.40319777  0.62186901
   0.37135307  0.39141276  0.75239101
   0.13865921  0.67739642  0.01626848
   0.41126223  0.57928084  0.36458256
   0.06212205  0.91558426  0.14773646
   0.32974509  0.83045860  0.24903344
   0.19330605  0.64766367  0.49999067
   0.37890584  0.65048183  0.87435728
   0.07391097  0.91227500  0.60114228
   0.33181515  1.00009321  0.67193989
   0.65348330  0.15639174  1.01273903
   0.85982532  0.13554261  0.36258212
   0.61941565  0.42501363  0.12236787
   0.88068543  0.29826330  0.17369188
   0.62231087  0.16830612  0.51068067
   0.89942260  0.10845085  0.87521423
   0.59280404  0.44263343  0.61919285
   0.77712882  0.36587283  0.79690714
   0.61970980  0.68030939 -0.00037085
   0.91896095  0.59071131  0.38768851
   0.58805894  0.91261486  0.14102794
   0.82706380  0.85955374  0.27656238
   0.65745128  0.65521345  0.46755378
   0.88242255  0.62239718  0.88844070
   0.61620256  0.91507064  0.62171650
   0.84188902  0.86343108  0.75293718
   0.09667724  0.07303136  0.13402934
   0.38105027  0.18461426  0.28196624
   0.14814299  0.32156448  0.01807153
   0.33295881  0.43377339  0.34904380
   0.53443843  0.37764809  0.21447594
   0.28693720  0.37460452  0.16781698
   0.23851481  0.10237163  0.43096875
  -0.00397340  0.21240214  0.38639466
   0.02913692  0.04298081  0.54162708
   0.48207430  0.25818923  0.76300775
   0.11107248  0.28152299  0.54909400
   0.38383901  0.48232029  0.85793357
   0.44205106  0.47201315  0.66360382
   0.21259465  0.36601234  0.72143040
   0.30783437  0.22710241 -0.09858768
   0.04356579  0.16081263  0.90273523
   0.12679739  0.57900995  0.10489878
   0.36138350  0.66272676  0.27630233
   0.11811495  0.83961554  0.05560698
   0.37094533  0.91870024  0.34707545
   0.42996056  0.87575646  0.16647584
   0.16964923  0.87496408  0.23382644
   0.33994665  0.66880928  0.45252967
   0.08675146  0.62075493  0.40956519
   0.21131477  0.52110347  0.57434573
   0.31994305  0.72853154  0.77720277
   0.15545991  0.79948776  0.53860883
   0.37133901  1.01943637  0.78738935
   0.45309385  0.89964440  0.61876991
   0.17284131  0.94966624  0.68896394
   0.28414332  0.66277934 -0.02818398
   0.01975377  0.66534468  0.93841334
   0.61149177  0.06585468  0.10475322
   0.83397027  0.18918154  0.25035025
   0.61978617  0.31602835  0.03520387
   0.89289237  0.43986022  0.35252384
   0.03119769  0.36396420  0.19223086
   0.76944493  0.43218130  0.16319273
   0.74723654  0.17261119  0.43581050
   0.49819376  0.11886573  0.44624327
   0.64838916  0.07245024  0.59758126
   0.84027912  0.21324957  0.79048050
   0.58590240  0.32061042  0.54822841
   0.89799042  0.46323225  0.85264384
   0.98552051  0.43711656  0.66929444
   0.72355789  0.42205715  0.69192584
   0.80078963  0.11338732  0.96962825
   0.53661376  0.11096263  0.92860378
   0.55633919  0.56343683  0.07066660
   0.86051751  0.71126061  0.31233021
   0.63058871  0.82580266  0.04645022
   0.87889353  0.97761129  0.35492259
   0.90949963  0.88097614  0.17968006
   0.66507164  0.85780943  0.23749134
   0.82499282  0.64192188  0.47781028
   0.58172625  0.57207138  0.38678068
   0.58895170  0.60210027  0.56492571
   0.84159714  0.71012879  0.79949802
   0.61206183  0.82327256  0.44102568
   0.91248185  0.95831606  0.83230458
   0.93492952  0.85452976  0.65660912
   0.68031240  0.89036588  0.72839383
   0.77508125  0.65757726  0.97198390
   0.53854465  0.69620738  0.89983132
   0.70851778  0.83119631  0.57206433
   0.58812801  0.82887155  0.37595164
   0.88591701  0.23977493  0.08107331
   0.96469456  0.37875987  0.37418167
   0.32536814  0.13024893  0.62098189
   0.22529869  0.73848154  0.75287117
   0.10362368  1.16131911  0.19001933
   0.23663518  1.05866638  0.00295352
   0.65774853  0.37089105  0.84716102
   0.90772294  0.47357867  0.64123256
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876083    0.153829   -0.115458
    -0.000000    9.839845   -0.191965
    -0.000000    0.000000   14.042572
   Si   O    H 
    32    64    10
Direct configuration=  1640
   0.17998326  0.18447152 -0.04245059
   0.38208577  0.08674214  0.37504127
   0.14327684  0.41527938  0.11762176
   0.38371093  0.34375741  0.25585777
   0.09687928  0.15724375  0.47512014
   0.42708797  0.14705089  0.84590367
   0.13545247  0.40416752  0.62212880
   0.37056751  0.39192708  0.75241992
   0.13775556  0.67837035  0.01740510
   0.41174825  0.57785656  0.36467047
   0.06201740  0.91585140  0.14822138
   0.33162301  0.83180521  0.24885994
   0.19172430  0.64856811  0.49940680
   0.37860077  0.65131850  0.87476422
   0.07394071  0.91247951  0.60088632
   0.33156987  1.00037705  0.67186947
   0.65230589  0.15573600  1.01164168
   0.85982877  0.13557779  0.36234687
   0.61924409  0.42552746  0.12147491
   0.88053129  0.29877162  0.17389977
   0.62280498  0.16630488  0.51078496
   0.90078279  0.11081900  0.87519751
   0.59171205  0.44299313  0.61992979
   0.77670527  0.36838617  0.79701555
   0.61939423  0.67915376  0.00094196
   0.91948857  0.59035631  0.38903022
   0.58869780  0.91291752  0.14024275
   0.82550370  0.86012355  0.27640890
   0.65604392  0.65672313  0.46648933
   0.88213131  0.62216282  0.88955919
   0.61785306  0.91501663  0.62157050
   0.84336743  0.86413315  0.75433248
   0.09734464  0.07397175  0.13434059
   0.38214554  0.18584784  0.28307138
   0.14884117  0.32211962  0.01850537
   0.33270194  0.43442276  0.34824211
   0.53578531  0.37801489  0.21435660
   0.28741362  0.37500569  0.16714079
   0.23990308  0.10399525  0.43093462
  -0.00320962  0.21159701  0.38662334
   0.02792902  0.04345068  0.53972302
   0.48319820  0.25713299  0.76273517
   0.11065945  0.28106445  0.54824095
   0.38183186  0.48327234  0.85871051
   0.44192013  0.47233799  0.66328680
   0.21496657  0.36657829  0.72075017
   0.30866955  0.22621372 -0.09826072
   0.04237199  0.16021347  0.90231637
   0.12920536  0.57869335  0.10455408
   0.35983803  0.66168485  0.27666135
   0.11742001  0.83945082  0.05512097
   0.37265923  0.91827263  0.34712951
   0.42947896  0.87480156  0.16663069
   0.16916541  0.87287570  0.23414040
   0.33919826  0.66915935  0.45331843
   0.08744308  0.62074009  0.40793631
   0.21092164  0.52293768  0.57364260
   0.32169615  0.72937970  0.77821777
   0.15551161  0.80177667  0.53921141
   0.37086430  1.01846615  0.78674488
   0.45397828  0.89719799  0.61910033
   0.17409571  0.94889663  0.68939828
   0.28428194  0.65998855 -0.02801422
   0.01877135  0.66639916  0.93811536
   0.61112366  0.06596732  0.10323942
   0.83606629  0.18881330  0.24981584
   0.62039141  0.31556300  0.03567861
   0.89145820  0.43884693  0.35288475
   0.03021556  0.36283986  0.19385284
   0.76881657  0.43070941  0.16270626
   0.74577091  0.17556158  0.43628513
   0.49741069  0.11970286  0.44675334
   0.64504664  0.07200254  0.59908762
   0.84001442  0.21380822  0.79013824
   0.58563303  0.32021394  0.54943235
   0.89821058  0.46303668  0.85167672
   0.98702867  0.43639497  0.67035160
   0.72454567  0.42231662  0.69053577
   0.80010281  0.11213420  0.97016293
   0.53937158  0.11182263  0.92869378
   0.55793853  0.56210720  0.07129331
   0.86284014  0.70979029  0.31345498
   0.63033212  0.82508287  0.04540880
   0.87908656  0.97560250  0.35326233
   0.91038637  0.87987347  0.17909142
   0.66561714  0.85780615  0.23758810
   0.82278663  0.64396057  0.47799492
   0.58144063  0.57233901  0.38740662
   0.58749897  0.60239352  0.56545245
   0.84167425  0.71301379  0.79955574
   0.61336294  0.82260518  0.44041642
   0.91332717  0.95869187  0.83314243
   0.93533347  0.85399993  0.65594641
   0.68013429  0.89167157  0.72740379
   0.77481657  0.65645342  0.97270658
   0.53898492  0.69537966  0.89888855
   0.70318461  0.82867314  0.56975803
   0.58062748  0.82356701  0.37438805
   0.88873844  0.24014798  0.07358435
   0.96018862  0.37632065  0.37019290
   0.32313224  0.13133045  0.61995246
   0.23331442  0.73566075  0.75132940
   0.10342849  1.15142967  0.18414291
   0.24281808  1.05827130  0.00455434
   0.65065682  0.37696156  0.85218364
   0.90555647  0.46997610  0.63776861
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874234    0.152916   -0.114572
    -0.000000    9.839117   -0.194579
    -0.000000    0.000000   14.043492
   Si   O    H 
    32    64    10
Direct configuration=  1641
   0.17937698  0.18445805 -0.04161449
   0.38223630  0.08672365  0.37501428
   0.14238004  0.41709907  0.11718530
   0.38510036  0.34240836  0.25550503
   0.09808354  0.15649158  0.47643386
   0.42734250  0.14678314  0.84628911
   0.13575060  0.40497798  0.62255604
   0.37027261  0.39242991  0.75272649
   0.13615015  0.67934147  0.01836878
   0.41196215  0.57638048  0.36549040
   0.06189432  0.91599085  0.14891959
   0.33396146  0.83304338  0.24883209
   0.19027170  0.64906312  0.49891533
   0.37851703  0.65224140  0.87530477
   0.07345378  0.91215608  0.60067721
   0.33133660  1.00050838  0.67189853
   0.65127553  0.15496760  1.01008935
   0.85961219  0.13598013  0.36202180
   0.61861676  0.42540675  0.12059554
   0.88027386  0.29937924  0.17406774
   0.62332930  0.16517808  0.51019786
   0.90175549  0.11310631  0.87457796
   0.59003992  0.44356304  0.62054996
   0.77658701  0.37099682  0.79669218
   0.61891184  0.67740320  0.00190395
   0.92045486  0.59063011  0.38975702
   0.58907458  0.91342086  0.13953292
   0.82416661  0.86054488  0.27637683
   0.65487274  0.65812564  0.46583676
   0.88198714  0.62158078  0.89038953
   0.62000508  0.91450132  0.62123362
   0.84445001  0.86417005  0.75534902
   0.09829014  0.07527216  0.13450723
   0.38179370  0.18644080  0.28383653
   0.14886126  0.32331717  0.01911475
   0.33334095  0.43360148  0.34802287
   0.53613607  0.37816709  0.21409247
   0.28783311  0.37654811  0.16664075
   0.24106664  0.10582921  0.43143331
  -0.00215867  0.21035296  0.38682441
   0.02698246  0.04409044  0.53850050
   0.48290042  0.25626326  0.76266244
   0.11060149  0.28112766  0.54732985
   0.38027580  0.48364374  0.85866235
   0.44209540  0.47222881  0.66300762
   0.21743621  0.36730191  0.72076691
   0.30965428  0.22594934 -0.09885887
   0.04097390  0.16051466  0.90171159
   0.13107349  0.57823963  0.10432464
   0.35748318  0.66216840  0.27641082
   0.11606338  0.83857456  0.05422669
   0.37484348  0.91865549  0.34765123
   0.42862325  0.87441322  0.16692006
   0.16906223  0.87108408  0.23461709
   0.33864693  0.66925540  0.45372731
   0.08748493  0.61960158  0.40659932
   0.21003515  0.52460158  0.57273025
   0.32425631  0.72920186  0.77924875
   0.15554692  0.80338489  0.53983316
   0.37037744  1.01784652  0.78635565
   0.45405279  0.89557458  0.61971460
   0.17543237  0.94873837  0.68909757
   0.28491552  0.65787368 -0.02788248
   0.01921137  0.66685475  0.93744318
   0.61136574  0.06625569  0.10185077
   0.83783766  0.18845897  0.25017874
   0.62022533  0.31478366  0.03557820
   0.88963326  0.43710867  0.35341262
   0.03007341  0.36178909  0.19490355
   0.76974916  0.42891317  0.16213795
   0.74533165  0.17860372  0.43631896
   0.49693531  0.12014994  0.44698090
   0.64205055  0.07158542  0.60078748
   0.83974171  0.21416000  0.79004634
   0.58587095  0.32031848  0.55010149
   0.89887389  0.46406720  0.85136362
   0.98812020  0.43591124  0.67156534
   0.72588049  0.42177518  0.68944342
   0.79982399  0.11109633  0.97106692
   0.54252518  0.11291425  0.92833146
   0.55923591  0.56116431  0.07229212
   0.86447517  0.70827308  0.31432769
   0.62991733  0.82442170  0.04434433
   0.87898951  0.97363955  0.35133371
   0.91125745  0.87878841  0.17837008
   0.66706319  0.85772354  0.23785640
   0.82095761  0.64503436  0.47843954
   0.58110575  0.57286708  0.38752429
   0.58631594  0.60204739  0.56622079
   0.84208557  0.71546755  0.79936805
   0.61497834  0.82306208  0.43958421
   0.91419662  0.95913289  0.83437341
   0.93693913  0.85321857  0.65511429
   0.67986826  0.89270018  0.72633939
   0.77382575  0.65552210  0.97307963
   0.53887314  0.69470042  0.89756064
   0.70099678  0.82532282  0.56681530
   0.57257748  0.82044035  0.37279124
   0.89122466  0.23901377  0.06891588
   0.96284434  0.36985351  0.36624147
   0.32129597  0.13246198  0.61955159
   0.23399383  0.73605009  0.74965376
   0.10349304  1.13525846  0.17732682
   0.24605912  1.06134810  0.00429082
   0.64816352  0.38277344  0.85709251
   0.90389791  0.46524850  0.63402954
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872576    0.152405   -0.114160
    -0.000000    9.838834   -0.197067
    -0.000000    0.000000   14.044251
   Si   O    H 
    32    64    10
Direct configuration=  1642
   0.17904658  0.18414797 -0.04059650
   0.38220626  0.08683556  0.37496657
   0.14191628  0.41804552  0.11654916
   0.38623409  0.34124760  0.25474044
   0.09927448  0.15602769  0.47808880
   0.42750418  0.14640836  0.84673286
   0.13552107  0.40519349  0.62305948
   0.37099848  0.39338253  0.75317138
   0.13409064  0.68008918  0.01908475
   0.41204852  0.57547807  0.36663567
   0.06217409  0.91649907  0.14937600
   0.33623411  0.83367619  0.24888720
   0.18977141  0.64932065  0.49833002
   0.37846128  0.65366677  0.87580067
   0.07272464  0.91194111  0.60062709
   0.33124226  1.00045948  0.67171537
   0.65036650  0.15394202  1.00893665
   0.85877529  0.13610933  0.36114827
   0.61789630  0.42538448  0.11981951
   0.88097877  0.30057935  0.17389674
   0.62391528  0.16434092  0.51014456
   0.90178129  0.11526037  0.87352624
   0.58849440  0.44485629  0.62157119
   0.77661595  0.37289679  0.79663977
   0.61824149  0.67611970  0.00266479
   0.92174536  0.59130805  0.39041624
   0.58957111  0.91327317  0.13864590
   0.82289614  0.86083770  0.27613041
   0.65334044  0.65913561  0.46568418
   0.88099691  0.62049058  0.89097087
   0.62185714  0.91457567  0.62097770
   0.84513436  0.86362824  0.75625361
   0.09881372  0.07470634  0.13354841
   0.38156835  0.18617247  0.28424819
   0.14885636  0.32451573  0.01933386
   0.33432082  0.43266033  0.34821724
   0.53661538  0.37864144  0.21446891
   0.28824703  0.37821014  0.16643878
   0.24161762  0.10784523  0.43158409
  -0.00067507  0.20906171  0.38652371
   0.02597135  0.04446180  0.53713145
   0.48205050  0.25641850  0.76254374
   0.11140373  0.28165911  0.54689899
   0.37898001  0.48324190  0.85850468
   0.44203366  0.47205802  0.66281094
   0.21946235  0.36846543  0.72093950
   0.31012405  0.22554832 -0.09924014
   0.03990832  0.16055755  0.90099644
   0.13305736  0.57723376  0.10415460
   0.35518878  0.66360187  0.27535426
   0.11446013  0.83748041  0.05359962
   0.37630380  0.91892335  0.34750833
   0.42820315  0.87499839  0.16681997
   0.16891606  0.87001551  0.23525806
   0.33829141  0.66881341  0.45346649
   0.08727844  0.61843292  0.40548790
   0.20930649  0.52629428  0.57165465
   0.32602156  0.72913086  0.78037600
   0.15639655  0.80397164  0.54006014
   0.36995804  1.01718530  0.78547609
   0.45436161  0.89389309  0.62108245
   0.17655721  0.94811960  0.68837654
   0.28482810  0.65588569 -0.02774926
   0.02008163  0.66671456  0.93658668
   0.61166259  0.06657354  0.10012213
   0.83930901  0.18793651  0.25095989
   0.61963331  0.31399237  0.03566052
   0.88761212  0.43539204  0.35381035
   0.02963987  0.36119863  0.19603395
   0.77129848  0.42742298  0.16208642
   0.74602935  0.18143395  0.43640142
   0.49691848  0.12056412  0.44624247
   0.64021328  0.07220936  0.60234276
   0.83948020  0.21405183  0.79051352
   0.58625595  0.32008852  0.54989821
   0.89991586  0.46499203  0.85083233
   0.98942311  0.43596237  0.67251892
   0.72647898  0.42077549  0.68804679
   0.79893195  0.10981996  0.97152169
   0.54548564  0.11381257  0.92782065
   0.56045613  0.56033706  0.07317201
   0.86562851  0.70663714  0.31497391
   0.62966476  0.82492685  0.04419158
   0.87937642  0.97238586  0.34968248
   0.91201824  0.87811404  0.17754049
   0.66848165  0.85809746  0.23802200
   0.81922677  0.64513353  0.47859059
   0.58044146  0.57350307  0.38689226
   0.58515247  0.60231079  0.56614852
   0.84301238  0.71700869  0.79949090
   0.61616675  0.82241228  0.43906867
   0.91461047  0.95945622  0.83602620
   0.93876518  0.85211636  0.65457102
   0.68144294  0.89315934  0.72614140
   0.77270778  0.65486687  0.97383510
   0.53891275  0.69332883  0.89671114
   0.70119350  0.82006535  0.56305809
   0.56430761  0.81883516  0.37406421
   0.89103516  0.23679195  0.07073137
   0.96423347  0.36544103  0.36081461
   0.31928256  0.13242615  0.61806895
   0.23291896  0.73986807  0.74963646
   0.10434674  1.15233251  0.19269674
   0.24757172  1.06452187  0.00375089
   0.65185156  0.38887743  0.85923910
   0.90462943  0.45891959  0.63228839
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871185    0.151997   -0.113539
    -0.000000    9.838622   -0.199683
    -0.000000    0.000000   14.045329
   Si   O    H 
    32    64    10
Direct configuration=  1643
   0.17864902  0.18388655 -0.03921637
   0.38144127  0.08661139  0.37485473
   0.14178570  0.41812376  0.11585513
   0.38681959  0.34093402  0.25407220
   0.10057820  0.15589566  0.47920863
   0.42808709  0.14633231  0.84664264
   0.13485062  0.40536842  0.62383645
   0.37204524  0.39427077  0.75368425
   0.13214448  0.68089113  0.01960521
   0.41222034  0.57446427  0.36794595
   0.06280858  0.91664159  0.14982471
   0.33841042  0.83364505  0.24912331
   0.18990109  0.64983330  0.49748060
   0.37842649  0.65386365  0.87603571
   0.07180454  0.91280780  0.60088989
   0.33217796  1.00040986  0.67192831
   0.64980769  0.15268679  1.00770712
   0.85779805  0.13593772  0.36014108
   0.61689332  0.42518200  0.11949200
   0.88116982  0.30185377  0.17341396
   0.62461534  0.16398013  0.50958958
   0.90077079  0.11772167  0.87210741
   0.58743333  0.44697645  0.62215445
   0.77660626  0.37401087  0.79664192
   0.61763209  0.67459450  0.00359163
   0.92266303  0.59206855  0.39055528
   0.58975687  0.91279566  0.13796329
   0.82288899  0.86075024  0.27589021
   0.65202522  0.66044679  0.46551356
   0.87992733  0.61927388  0.89123968
   0.62297370  0.91517554  0.62076016
   0.84592758  0.86304788  0.75701568
   0.09871985  0.07496846  0.13352517
   0.38128939  0.18684019  0.28511079
   0.14829770  0.32568074  0.02016065
   0.33538915  0.43155701  0.34875449
   0.53678092  0.37940348  0.21485533
   0.28807336  0.38020186  0.16631118
   0.24200771  0.10971400  0.43164407
   0.00189655  0.20724064  0.38632258
   0.02608085  0.04385290  0.53585137
   0.48098745  0.25620150  0.76264803
   0.11256809  0.28253607  0.54649300
   0.37799876  0.48325258  0.85810959
   0.44163757  0.47149782  0.66315239
   0.22054942  0.37021485  0.72079490
   0.31003335  0.22515290 -0.10049545
   0.03931804  0.16123131  0.90034929
   0.13517985  0.57529513  0.10403914
   0.35305243  0.66491574  0.27385067
   0.11215967  0.83709020  0.05287000
   0.37791452  0.91890886  0.34716776
   0.42839482  0.87619411  0.16631531
   0.16927315  0.86896227  0.23531530
   0.33859250  0.66847229  0.45338415
   0.08681761  0.61773207  0.40465439
   0.20874556  0.52871633  0.57075439
   0.32748625  0.72924167  0.78098945
   0.15654824  0.80380701  0.54002330
   0.36966905  1.01736645  0.78473253
   0.45466339  0.89320952  0.62266582
   0.17784814  0.94822581  0.68691929
   0.28412210  0.65479666 -0.02767776
   0.02113115  0.66662264  0.93616768
   0.61148087  0.06652417  0.09847663
   0.84095561  0.18686507  0.25187664
   0.61908338  0.31309543  0.03571591
   0.88616193  0.43319762  0.35417074
   0.02951302  0.35997701  0.19655531
   0.77225725  0.42658181  0.16169923
   0.74701536  0.18399188  0.43619349
   0.49790436  0.11980862  0.44581742
   0.63840942  0.07304286  0.60366755
   0.83887309  0.21440153  0.79041909
   0.58650365  0.31954961  0.54940533
   0.90039443  0.46598663  0.84991100
   0.99017673  0.43668771  0.67386653
   0.72681215  0.41997317  0.68724882
   0.79897202  0.10882260  0.97158706
   0.54766396  0.11441785  0.92614879
   0.56133860  0.56059960  0.07457835
   0.86662370  0.70564321  0.31537382
   0.62945616  0.82546505  0.04429132
   0.88005488  0.97120646  0.34858500
   0.91294698  0.87809269  0.17697970
   0.66911751  0.85889022  0.23794285
   0.81687599  0.64537533  0.47828583
   0.57790938  0.57372032  0.38551514
   0.58498603  0.60237565  0.56625791
   0.84370283  0.71849874  0.79966419
   0.61651498  0.82182753  0.43860018
   0.91523457  0.95872632  0.83683119
   0.94127671  0.85137168  0.65358092
   0.68298850  0.89456873  0.72632512
   0.77206126  0.65446391  0.97527139
   0.53780725  0.69182579  0.89564982
   0.70085076  0.81823130  0.56003023
   0.56057895  0.81695430  0.38071221
   0.89207911  0.23709681  0.07692391
   0.96438502  0.36571167  0.35414614
   0.31542688  0.12890119  0.61910082
   0.24354950  0.74252221  0.75166516
   0.10367444  1.15564596  0.19882380
   0.24744143  1.06870160  0.00300928
   0.65356617  0.39624740  0.86092019
   0.91546273  0.45243034  0.63319599
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869775    0.151742   -0.112754
    -0.000000    9.838596   -0.201878
    -0.000000    0.000000   14.046726
   Si   O    H 
    32    64    10
Direct configuration=  1644
   0.17849830  0.18348188 -0.03796855
   0.38061477  0.08593672  0.37482788
   0.14142083  0.41760091  0.11566183
   0.38667296  0.34038813  0.25351489
   0.10184781  0.15547314  0.47967465
   0.42882500  0.14617043  0.84667147
   0.13296858  0.40500548  0.62436592
   0.37342802  0.39530241  0.75448882
   0.13082926  0.68254642  0.01984554
   0.41119788  0.57357576  0.36852184
   0.06294185  0.91619297  0.15027395
   0.33972149  0.83303832  0.24982607
   0.19031363  0.65057668  0.49654226
   0.37863986  0.65362843  0.87608112
   0.07077071  0.91379850  0.60122688
   0.33313926  0.99995163  0.67187338
   0.64875545  0.15073794  1.00668930
   0.85670920  0.13583471  0.35937676
   0.61586379  0.42472503  0.11913681
   0.88112754  0.30274427  0.17317725
   0.62570970  0.16410126  0.50908274
   0.89937472  0.11903936  0.87092015
   0.58709339  0.44982898  0.62240385
   0.77686717  0.37464454  0.79677552
   0.61729193  0.67272735  0.00404143
   0.92350159  0.59296142  0.39073914
   0.59020813  0.91231757  0.13735052
   0.82365248  0.85970781  0.27539570
   0.65084394  0.66214605  0.46551278
   0.87800998  0.61820941  0.89120916
   0.62337518  0.91466611  0.62025166
   0.84596132  0.86294990  0.75727814
   0.10004090  0.07597603  0.13347739
   0.38051536  0.18698842  0.28529462
   0.14761616  0.32656110  0.02102613
   0.33690437  0.43026478  0.34877172
   0.53784052  0.38103406  0.21535638
   0.28783192  0.38159955  0.16644551
   0.24233552  0.11175080  0.43181734
   0.00511439  0.20489746  0.38657257
   0.02597385  0.04292239  0.53395030
   0.47937572  0.25607863  0.76231105
   0.11405804  0.28441254  0.54666302
   0.37730120  0.48299325  0.85797224
   0.44097340  0.47048163  0.66384370
   0.22178822  0.37147631  0.72110645
   0.30966457  0.22538132 -0.10201776
   0.03958805  0.16284782  0.89992233
   0.13640542  0.57393657  0.10443816
   0.35181294  0.66674771  0.27234584
   0.10970996  0.83706688  0.05203322
   0.37930608  0.91870148  0.34689454
   0.42892925  0.87770890  0.16531427
   0.17057442  0.86724987  0.23537688
   0.33822541  0.66739802  0.45379653
   0.08673950  0.61666696  0.40395933
   0.20854915  0.52979237  0.56996577
   0.32898319  0.72918018  0.78147744
   0.15685553  0.80292823  0.53983148
   0.36948565  1.01716199  0.78406495
   0.45407932  0.89266996  0.62403020
   0.17931171  0.94875189  0.68547397
   0.28265868  0.65414179 -0.02754681
   0.02169695  0.66676180  0.93539657
   0.61187511  0.06635541  0.09773455
   0.84185584  0.18580623  0.25216448
   0.61808828  0.31156365  0.03568468
   0.88443672  0.43101605  0.35456753
   0.02960680  0.35854771  0.19694072
   0.77331462  0.42599696  0.16182601
   0.74875512  0.18606926  0.43632653
   0.49835570  0.11878782  0.44593634
   0.63781510  0.07475111  0.60417439
   0.83823019  0.21543964  0.79016573
   0.58664700  0.31819140  0.54909090
   0.90030276  0.46665683  0.84973126
   0.99082785  0.43729886  0.67521156
   0.72686975  0.41908866  0.68630638
   0.79977187  0.10820746  0.97171311
   0.54874710  0.11447230  0.92370430
   0.56214440  0.56105955  0.07594293
   0.86765161  0.70435236  0.31573377
   0.62876650  0.82562938  0.04531311
   0.88049388  0.97004031  0.34750479
   0.91307904  0.87741700  0.17586735
   0.66948982  0.85973644  0.23714361
   0.81430425  0.64509167  0.47782069
   0.57515936  0.57388611  0.38379023
   0.58518357  0.60152603  0.56614851
   0.84394661  0.71813933  0.80062104
   0.61651951  0.82092063  0.43816538
   0.91575771  0.95815733  0.83783085
   0.94262879  0.85086542  0.65261955
   0.68528945  0.89639221  0.72709423
   0.77292181  0.65398937  0.97629403
   0.53715022  0.69026574  0.89570299
   0.70125031  0.81855038  0.56149665
   0.55628148  0.81916804  0.38755240
   0.89054412  0.23854031  0.08183083
   0.96309478  0.36862339  0.35025016
   0.31341444  0.12740363  0.61993310
   0.24381066  0.74733694  0.75303268
   0.10390241  1.14577245  0.19455965
   0.24682193  1.06866174  0.00390922
   0.65963396  0.40265413  0.86005311
   0.92251403  0.44662463  0.63352801
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867882    0.150713   -0.111711
    -0.000000    9.838780   -0.204052
    -0.000000    0.000000   14.048234
   Si   O    H 
    32    64    10
Direct configuration=  1645
   0.17869572  0.18343425 -0.03654595
   0.37974012  0.08587330  0.37489433
   0.14098825  0.41660338  0.11610467
   0.38664979  0.33996992  0.25299335
   0.10238896  0.15495214  0.47956955
   0.43000345  0.14599987  0.84676680
   0.13094450  0.40456729  0.62473755
   0.37460774  0.39639437  0.75519869
   0.12989829  0.68424637  0.01992909
   0.40964490  0.57311860  0.36891898
   0.06300102  0.91576883  0.15098119
   0.34026652  0.83300650  0.25060014
   0.19047106  0.65144886  0.49560512
   0.37886238  0.65367382  0.87602331
   0.06973021  0.91477139  0.60169978
   0.33449659  0.99941870  0.67199291
   0.64749964  0.14923885  1.00587453
   0.85624172  0.13538502  0.35845114
   0.61494640  0.42480748  0.11924717
   0.88175355  0.30312078  0.17257813
   0.62633514  0.16430115  0.50870966
   0.89694922  0.11978669  0.86976077
   0.58716307  0.45233263  0.62209471
   0.77763258  0.37520477  0.79694159
   0.61689239  0.67189048  0.00415742
   0.92290039  0.59261690  0.39046949
   0.59025256  0.91194240  0.13691731
   0.82486085  0.85809311  0.27507337
   0.64986786  0.66423797  0.46564963
   0.87611640  0.61741323  0.89133886
   0.62345882  0.91388124  0.61991161
   0.84613565  0.86296809  0.75680840
   0.10071487  0.07799330  0.13350575
   0.37965532  0.18734232  0.28536661
   0.14646487  0.32700308  0.02206982
   0.33857371  0.42797853  0.34939554
   0.53889664  0.38202627  0.21604062
   0.28723254  0.38297941  0.16671713
   0.24234444  0.11345544  0.43175664
   0.00819333  0.20316388  0.38671915
   0.02445733  0.04139428  0.53212806
   0.47699443  0.25701153  0.76207571
   0.11522584  0.28664039  0.54682979
   0.37661974  0.48331911  0.85749048
   0.44095655  0.47079557  0.66466928
   0.22256119  0.37220183  0.72092474
   0.30903201  0.22578047 -0.10333288
   0.04101914  0.16474615  0.89975095
   0.13730235  0.57375605  0.10410642
   0.35118406  0.66872836  0.27108863
   0.10792667  0.83612569  0.05151764
   0.38027034  0.91870649  0.34690367
   0.42932422  0.87948884  0.16410532
   0.17213529  0.86602754  0.23538612
   0.33730315  0.66613623  0.45364773
   0.08619744  0.61629021  0.40349917
   0.20806628  0.53062282  0.56910287
   0.32989678  0.72887426  0.78165025
   0.15688809  0.80152874  0.53920634
   0.36933853  1.01756637  0.78352163
   0.45360661  0.89261592  0.62522149
   0.18097804  0.94894401  0.68423336
   0.28138916  0.65357797 -0.02757280
   0.02168343  0.66614536  0.93481109
   0.61236125  0.06496109  0.09729504
   0.84211097  0.18588655  0.25224911
   0.61704400  0.30940888  0.03587233
   0.88245106  0.42934867  0.35421824
   0.03052775  0.35746621  0.19688054
   0.77342110  0.42626057  0.16135247
   0.75034745  0.18768697  0.43685277
   0.49819703  0.11846423  0.44584760
   0.63684135  0.07686018  0.60492533
   0.83693484  0.21695519  0.78986380
   0.58692328  0.31717030  0.54871949
   0.89957751  0.46693766  0.84932143
   0.99268072  0.43669546  0.67670906
   0.72670452  0.41727840  0.68568313
   0.80004828  0.10819470  0.97209914
   0.54939289  0.11443454  0.92088924
   0.56231222  0.56222290  0.07781509
   0.86828338  0.70470126  0.31595508
   0.62779878  0.82554430  0.04618998
   0.87945498  0.96882186  0.34613792
   0.91287843  0.87667443  0.17492276
   0.67044015  0.86124059  0.23680340
   0.81266292  0.64464364  0.47757370
   0.57220285  0.57362784  0.38216631
   0.58604557  0.60114675  0.56619813
   0.84310601  0.71690009  0.80202366
   0.61655454  0.81966130  0.43847858
   0.91607331  0.95781286  0.83860405
   0.94305061  0.84952114  0.65239886
   0.68742655  0.89808416  0.72806083
   0.77399775  0.65328013  0.97710766
   0.53639036  0.68914204  0.89677660
   0.70276196  0.82052375  0.56539304
   0.54077878  0.82117207  0.38893863
   0.89022717  0.23680460  0.08576180
   0.95891067  0.37622211  0.34690756
   0.31177949  0.12792801  0.61795708
   0.23885513  0.75045104  0.75316425
   0.10219260  1.12935717  0.18103216
   0.24470396  1.06654214  0.00532514
   0.66586942  0.40529355  0.85950392
   0.91323065  0.44332960  0.62728863
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865992    0.149632   -0.110845
    -0.000000    9.839342   -0.205728
    -0.000000    0.000000   14.049661
   Si   O    H 
    32    64    10
Direct configuration=  1646
   0.17911485  0.18419564 -0.03521523
   0.37858242  0.08554095  0.37478640
   0.14087759  0.41579961  0.11685292
   0.38737131  0.33925592  0.25233408
   0.10231425  0.15494110  0.47932999
   0.43125528  0.14539636  0.84624876
   0.12963843  0.40442405  0.62499351
   0.37597632  0.39694346  0.75612598
   0.12987436  0.68542035  0.01989332
   0.40751422  0.57297599  0.36900530
   0.06386058  0.91465467  0.15168645
   0.34102941  0.83294345  0.25144239
   0.19097063  0.65207473  0.49439541
   0.37873017  0.65345584  0.87620239
   0.06857643  0.91526992  0.60196965
   0.33591408  0.99891971  0.67218213
   0.64631337  0.14817205  1.00542643
   0.85576940  0.13482059  0.35773407
   0.61458583  0.42474459  0.11984452
   0.88236134  0.30361024  0.17231009
   0.62661214  0.16484658  0.50915986
   0.89464174  0.11948797  0.86917671
   0.58707795  0.45397130  0.62159443
   0.77759196  0.37508441  0.79700428
   0.61644891  0.67124627  0.00425190
   0.92208776  0.59200450  0.39018000
   0.58952170  0.91217067  0.13717378
   0.82608634  0.85674034  0.27506975
   0.64871041  0.66553944  0.46572954
   0.87466566  0.61734292  0.89174336
   0.62314916  0.91364709  0.61962569
   0.84616001  0.86320353  0.75595174
   0.10000465  0.07788073  0.13212539
   0.37904828  0.18738441  0.28498501
   0.14553200  0.32711317  0.02305360
   0.34058420  0.42540135  0.35004348
   0.53986070  0.38295805  0.21726532
   0.28682607  0.38398378  0.16672393
   0.24293632  0.11503299  0.43172908
   0.01116827  0.20065073  0.38699612
   0.02253911  0.03920680  0.53063491
   0.47516819  0.25774084  0.76176489
   0.11542717  0.28927822  0.54633623
   0.37624756  0.48449763  0.85623576
   0.44141317  0.47150729  0.66548205
   0.22292685  0.37239020  0.72093236
   0.30858001  0.22651260 -0.10424145
   0.04350130  0.16690136  0.89995306
   0.13851695  0.57361259  0.10372070
   0.35055097  0.67061276  0.27040714
   0.10649191  0.83542323  0.05163632
   0.38158823  0.91908920  0.34643060
   0.43056522  0.88094384  0.16278708
   0.17386027  0.86445438  0.23557209
   0.33682282  0.66507148  0.45291579
   0.08465578  0.61600861  0.40384866
   0.20649692  0.53041970  0.56812183
   0.32981359  0.72872189  0.78185799
   0.15692831  0.79999734  0.53846149
   0.36892776  1.01811271  0.78356400
   0.45254599  0.89278914  0.62664488
   0.18257933  0.94950745  0.68305057
   0.28060723  0.65375971 -0.02749663
   0.02060143  0.66440788  0.93443527
   0.61292092  0.06468387  0.09728642
   0.84230248  0.18634296  0.25159155
   0.61654659  0.30738527  0.03554940
   0.88010340  0.42878836  0.35370844
   0.03273702  0.35669044  0.19602941
   0.77369633  0.42667876  0.16109562
   0.75134511  0.18914108  0.43734088
   0.49904077  0.11804901  0.44603026
   0.63624285  0.07992296  0.60493407
   0.83581501  0.21925101  0.78983136
   0.58722271  0.31689493  0.54789541
   0.89888223  0.46650340  0.84881430
   0.99351025  0.43645930  0.67775025
   0.72670725  0.41571728  0.68518019
   0.80069290  0.10746727  0.97210837
   0.55007082  0.11405871  0.91782991
   0.56142780  0.56320285  0.07902689
   0.86809410  0.70463450  0.31585523
   0.62660571  0.82498244  0.04702416
   0.87823259  0.96764951  0.34543616
   0.91228793  0.87568690  0.17415312
   0.67086217  0.86364245  0.23643290
   0.81209845  0.64363062  0.47681021
   0.56987008  0.57355666  0.38128339
   0.58669488  0.60085538  0.56581239
   0.84200184  0.71535474  0.80361230
   0.61646902  0.81876701  0.43854362
   0.91565415  0.95712943  0.83932828
   0.94237017  0.84818980  0.65258756
   0.68867786  0.89929080  0.72909549
   0.77554667  0.65221218  0.97793275
   0.53568829  0.68799861  0.89853223
   0.70602953  0.81974057  0.56887262
   0.53000497  0.82826696  0.38963679
   0.88652760  0.23428774  0.08645630
   0.96537342  0.37549878  0.34410821
   0.31778642  0.12899940  0.61560759
   0.24003288  0.75216371  0.75679829
   0.10310489  1.13761173  0.19305776
   0.23783293  1.06639103  0.00745219
   0.67233339  0.40737910  0.86120693
   0.91129518  0.43866724  0.62657946
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863801    0.149029   -0.109975
    -0.000000    9.840243   -0.206985
    -0.000000    0.000000   14.050771
   Si   O    H 
    32    64    10
Direct configuration=  1647
   0.17940925  0.18555097 -0.03386309
   0.37840251  0.08499688  0.37440477
   0.14073964  0.41505850  0.11752721
   0.38758004  0.33897698  0.25141592
   0.10259752  0.15534315  0.47877981
   0.43222865  0.14542670  0.84520680
   0.12950127  0.40449447  0.62548731
   0.37729067  0.39726073  0.75723287
   0.12959894  0.68590553  0.01962668
   0.40470751  0.57250926  0.36917897
   0.06453662  0.91381696  0.15270848
   0.34123961  0.83238960  0.25180359
   0.19107679  0.65321148  0.49330358
   0.37805548  0.65385438  0.87600691
   0.06792992  0.91548621  0.60247797
   0.33779945  0.99866597  0.67212268
   0.64595116  0.14770164  1.00538947
   0.85520771  0.13472823  0.35703574
   0.61488414  0.42376626  0.12074024
   0.88230320  0.30409287  0.17225618
   0.62684735  0.16486561  0.50910834
   0.89287803  0.11878436  0.86899747
   0.58763707  0.45525123  0.62114535
   0.77747619  0.37497000  0.79711536
   0.61643731  0.67172280  0.00427108
   0.92149671  0.59173435  0.39000607
   0.58851248  0.91316465  0.13756413
   0.82694797  0.85460126  0.27464898
   0.64833029  0.66625798  0.46554593
   0.87354800  0.61729668  0.89198827
   0.62294650  0.91363588  0.61967971
   0.84622272  0.86320177  0.75489781
   0.09967049  0.07757799  0.13205064
   0.37900806  0.18664790  0.28467167
   0.14470804  0.32817864  0.02400834
   0.34220668  0.42295495  0.35062556
   0.54053251  0.38396878  0.21847514
   0.28625630  0.38487605  0.16680828
   0.24286314  0.11656676  0.43151218
   0.01287435  0.19869481  0.38755541
   0.02062011  0.03801344  0.52930030
   0.47315011  0.25755555  0.76126072
   0.11622658  0.29139970  0.54663817
   0.37558718  0.48552942  0.85447498
   0.44299239  0.47228853  0.66610125
   0.22304313  0.37307746  0.72072920
   0.30740270  0.22637709 -0.10461596
   0.04604362  0.16975939  0.89994563
   0.13928368  0.57343597  0.10326755
   0.35078835  0.67211653  0.27032691
   0.10517361  0.83615222  0.05177522
   0.38255329  0.92005703  0.34604124
   0.43150207  0.88247498  0.16119827
   0.17547478  0.86293367  0.23591292
   0.33666229  0.66257888  0.45165099
   0.08292401  0.61533928  0.40397433
   0.20422802  0.53028746  0.56749512
   0.32909568  0.72833638  0.78215043
   0.15709450  0.79921348  0.53828351
   0.36850684  1.01844093  0.78384204
   0.45215309  0.89271742  0.62802720
   0.18298412  0.95032895  0.68207040
   0.27941123  0.65398478 -0.02702856
   0.01957077  0.66317988  0.93438649
   0.61275640  0.06516587  0.09809272
   0.84247094  0.18631587  0.25091240
   0.61505706  0.30544075  0.03562977
   0.87848081  0.42966432  0.35328614
   0.03518834  0.35588084  0.19485495
   0.77395126  0.42708775  0.16088693
   0.75142943  0.18962380  0.43751696
   0.50053450  0.11774659  0.44635426
   0.63638595  0.08335249  0.60442021
   0.83487558  0.22084120  0.78933098
   0.58790645  0.31726230  0.54793687
   0.89726618  0.46526619  0.84753741
   0.99345930  0.43634248  0.67813678
   0.72703500  0.41461905  0.68481121
   0.80177293  0.10792622  0.97201022
   0.55113362  0.11385837  0.91525704
   0.56088290  0.56442268  0.07967492
   0.86713671  0.70535733  0.31542690
   0.62518895  0.82410570  0.04803571
   0.87688290  0.96759232  0.34509018
   0.91216402  0.87431488  0.17383096
   0.67091444  0.86663198  0.23587160
   0.81168623  0.64265125  0.47633580
   0.56832166  0.57321292  0.38041364
   0.58760034  0.60044364  0.56505084
   0.84083845  0.71429384  0.80469306
   0.61571449  0.81945487  0.43857849
   0.91425253  0.95667262  0.83971478
   0.94151484  0.84661660  0.65222247
   0.68980832  0.90001086  0.73042589
   0.77678138  0.65134110  0.97893611
   0.53532566  0.68697890  0.90056738
   0.71006612  0.81438966  0.57118855
   0.52917770  0.83553367  0.39467200
   0.88392273  0.22618368  0.08365175
   0.96819071  0.37479110  0.34364359
   0.32480278  0.12910133  0.61311744
   0.23904520  0.75421400  0.76026631
   0.10414096  1.13978759  0.19751459
   0.23105071  1.06072041  0.00925510
   0.67556868  0.40723667  0.86372240
   0.91814768  0.43212307  0.63139254
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861763    0.148989   -0.108894
    -0.000000    9.841238   -0.207835
    -0.000000    0.000000   14.052016
   Si   O    H 
    32    64    10
Direct configuration=  1648
   0.18036872  0.18768742 -0.03269331
   0.37824609  0.08449526  0.37446118
   0.14043853  0.41436338  0.11814909
   0.38749045  0.33914233  0.25083468
   0.10278080  0.15567060  0.47854504
   0.43308131  0.14542225  0.84399905
   0.12981576  0.40488299  0.62640770
   0.37930011  0.39763458  0.75841024
   0.12941847  0.68613461  0.01917674
   0.40201534  0.57272291  0.36876372
   0.06534711  0.91345056  0.15369793
   0.34108310  0.83171034  0.25156300
   0.19101617  0.65404828  0.49242408
   0.37783973  0.65415031  0.87569805
   0.06736284  0.91557276  0.60309738
   0.33962861  0.99836562  0.67212256
   0.64641721  0.14744169  1.00554083
   0.85504914  0.13461813  0.35674144
   0.61521120  0.42288830  0.12151518
   0.88222479  0.30453674  0.17255896
   0.62669816  0.16588005  0.50901789
   0.89175391  0.11821831  0.86943227
   0.58870725  0.45594553  0.62052513
   0.77789630  0.37495909  0.79736211
   0.61649214  0.67227588  0.00402492
   0.92058963  0.59175057  0.38994836
   0.58787093  0.91394995  0.13828797
   0.82836303  0.85216099  0.27372288
   0.64812292  0.66617225  0.46539716
   0.87300638  0.61724641  0.89217386
   0.62236235  0.91340954  0.61979650
   0.84672428  0.86258819  0.75392540
   0.09960529  0.07812683  0.13304383
   0.37836125  0.18570777  0.28385561
   0.14417598  0.32930245  0.02446963
   0.34384563  0.42033208  0.35146689
   0.54136583  0.38392676  0.21953150
   0.28571207  0.38513163  0.16712501
   0.24257649  0.11832545  0.43112750
   0.01365426  0.19624429  0.38835325
   0.01802922  0.03608251  0.52871795
   0.47244620  0.25706837  0.76059551
   0.11674132  0.29213462  0.54664673
   0.37492198  0.48617115  0.85322888
   0.44388746  0.47300397  0.66722399
   0.22255663  0.37394659  0.72077842
   0.30598322  0.22499293 -0.10425809
   0.04757566  0.17275803  0.90009752
   0.13963069  0.57323384  0.10330264
   0.35102370  0.67324137  0.27020898
   0.10325971  0.83704399  0.05214582
   0.38383814  0.92047819  0.34591578
   0.43242925  0.88410805  0.16062403
   0.17749650  0.86257257  0.23597522
   0.33683495  0.66066387  0.45054024
   0.08125208  0.61512891  0.40391262
   0.20218668  0.52892907  0.56744194
   0.32900312  0.72798416  0.78250390
   0.15666445  0.79915290  0.53794021
   0.36806797  1.01867220  0.78450345
   0.45272293  0.89280161  0.62936072
   0.18331739  0.95162565  0.68139027
   0.27872935  0.65409922 -0.02696639
   0.01913485  0.66246281  0.93471616
   0.61247824  0.06590121  0.09968420
   0.84237393  0.18592281  0.24986486
   0.61316629  0.30432773  0.03588150
   0.87841216  0.43103689  0.35269214
   0.03801308  0.35497943  0.19412845
   0.77331854  0.42781189  0.16078814
   0.75168767  0.18986954  0.43722220
   0.50167450  0.11686421  0.44693227
   0.63681711  0.08583019  0.60408213
   0.83398312  0.22184699  0.78864021
   0.58836165  0.31810770  0.54829135
   0.89502338  0.46453721  0.84692613
   0.99223512  0.43738656  0.67841631
   0.72663878  0.41484571  0.68387278
   0.80238964  0.10843658  0.97193652
   0.55296950  0.11352483  0.91294595
   0.56070644  0.56631064  0.08036587
   0.86619266  0.70601578  0.31456077
   0.62393918  0.82307831  0.04865284
   0.87629015  0.96728437  0.34535635
   0.91246883  0.87292000  0.17335725
   0.67117371  0.86981460  0.23533929
   0.81131984  0.64211652  0.47583140
   0.56722264  0.57398048  0.38005094
   0.58939783  0.59995151  0.56396080
   0.83960645  0.71359975  0.80562504
   0.61433569  0.81995805  0.43810559
   0.91327874  0.95604845  0.83990999
   0.94080648  0.84577361  0.65177230
   0.69026747  0.90079953  0.73152458
   0.77760682  0.65060161  0.98008234
   0.53539382  0.68569424  0.90246838
   0.71054962  0.80787619  0.57246631
   0.53542407  0.84338325  0.40505334
   0.88028239  0.22134192  0.08308171
   0.96651265  0.37698926  0.34677372
   0.33245845  0.12581025  0.61273379
   0.23763182  0.75525668  0.76607222
   0.10675901  1.13708468  0.19103401
   0.22202871  1.05677768  0.01016447
   0.66908647  0.40576219  0.86700616
   0.92197985  0.42923954  0.63863728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860216    0.149109   -0.107241
    -0.000000    9.842781   -0.209249
    -0.000000    0.000000   14.053316
   Si   O    H 
    32    64    10
Direct configuration=  1649
   0.18198555  0.18855290 -0.03144028
   0.37851638  0.08382790  0.37456454
   0.14004114  0.41392583  0.11921487
   0.38761469  0.33900589  0.25044350
   0.10307070  0.15607404  0.47849210
   0.43375404  0.14562372  0.84260957
   0.13070899  0.40567919  0.62741952
   0.38068250  0.39776990  0.75941205
   0.12922801  0.68534641  0.01851308
   0.40025407  0.57272240  0.36812291
   0.06602067  0.91360505  0.15464763
   0.34098442  0.83135934  0.25112295
   0.19018104  0.65542098  0.49226349
   0.37728277  0.65384486  0.87549740
   0.06762964  0.91608684  0.60310707
   0.34147153  0.99804213  0.67188272
   0.64669403  0.14734689  1.00590620
   0.85533660  0.13507219  0.35703926
   0.61589448  0.42221841  0.12210031
   0.88240245  0.30522688  0.17274553
   0.62622605  0.16734428  0.50908196
   0.89127750  0.11703973  0.87021919
   0.58965490  0.45568098  0.61961905
   0.77842064  0.37514537  0.79710358
   0.61713423  0.67227564  0.00359728
   0.91946856  0.59214219  0.38997621
   0.58707075  0.91461520  0.13923925
   0.82950626  0.84979110  0.27260962
   0.64774273  0.66533462  0.46501656
   0.87329671  0.61754746  0.89231628
   0.62154536  0.91382840  0.62056252
   0.84733312  0.86132038  0.75273853
   0.09959542  0.07855469  0.13441279
   0.37740651  0.18444114  0.28275230
   0.14388242  0.32878522  0.02419598
   0.34551281  0.41744755  0.35225902
   0.54178943  0.38391025  0.22018205
   0.28550426  0.38549610  0.16801784
   0.24284014  0.11993117  0.43092983
   0.01411800  0.19420294  0.38866899
   0.01568763  0.03405660  0.52795699
   0.47222285  0.25708923  0.76043765
   0.11728855  0.29193393  0.54621460
   0.37450103  0.48666043  0.85240003
   0.44485791  0.47406499  0.66877379
   0.22255333  0.37422852  0.72101323
   0.30503306  0.22375385 -0.10389472
   0.04852006  0.17505213  0.89970471
   0.13918947  0.57389968  0.10347453
   0.35217858  0.67343271  0.26990119
   0.10129015  0.83754529  0.05247076
   0.38525251  0.92196720  0.34565627
   0.43213200  0.88607275  0.16003991
   0.17887567  0.86211191  0.23490348
   0.33719644  0.65881633  0.44948927
   0.07952613  0.61524543  0.40464459
   0.20085515  0.52828297  0.56729345
   0.32877800  0.72786698  0.78241394
   0.15501148  0.79966482  0.53730741
   0.36796579  1.01939591  0.78555207
   0.45368880  0.89223350  0.63122369
   0.18305917  0.95365593  0.68096402
   0.27816502  0.65573284 -0.02719714
   0.01918540  0.66241126  0.93489252
   0.61058518  0.06702518  0.10111726
   0.84200605  0.18634371  0.24843708
   0.61131876  0.30412924  0.03599766
   0.87819039  0.43237898  0.35250789
   0.04089683  0.35316673  0.19395141
   0.77227251  0.42850698  0.16012086
   0.75153702  0.19009719  0.43688955
   0.50255930  0.11554419  0.44783462
   0.63765518  0.08731575  0.60438472
   0.83270785  0.22226613  0.78789223
   0.58858530  0.31904419  0.54910908
   0.89315552  0.46364354  0.84638526
   0.99063167  0.43922085  0.67942389
   0.72553964  0.41524793  0.68302625
   0.80292854  0.10889742  0.97148127
   0.55472558  0.11325185  0.91100012
   0.55995718  0.56825526  0.08123416
   0.86484462  0.70662770  0.31297537
   0.62311834  0.82176320  0.04924795
   0.87684769  0.96714926  0.34616748
   0.91258520  0.87170861  0.17290118
   0.67208830  0.87286060  0.23478002
   0.81134732  0.64131059  0.47552191
   0.56617618  0.57534662  0.37954089
   0.59121993  0.60019444  0.56254666
   0.83828706  0.71332631  0.80628090
   0.61380770  0.82056092  0.43829025
   0.91244003  0.95538304  0.84004222
   0.93938228  0.84494168  0.65150430
   0.69063289  0.90120989  0.73222015
   0.77838767  0.64998754  0.98117110
   0.53495851  0.68442946  0.90406932
   0.70809872  0.80370685  0.57670990
   0.53188560  0.85478693  0.40956474
   0.87858642  0.21805927  0.08504955
   0.96234541  0.37814145  0.35007069
   0.33667413  0.12047954  0.61470007
   0.23700205  0.75641665  0.77092766
   0.11195299  1.13519170  0.18042071
   0.21756572  1.05638139  0.01024771
   0.65910340  0.40144393  0.86831320
   0.90885352  0.42659220  0.63657646
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858604    0.149294   -0.105896
    -0.000000    9.844287   -0.210594
    -0.000000    0.000000   14.054558
   Si   O    H 
    32    64    10
Direct configuration=  1650
   0.18357916  0.18936204 -0.03062374
   0.37936347  0.08308213  0.37461264
   0.14002034  0.41414613  0.12023324
   0.38833599  0.33890414  0.24999178
   0.10370277  0.15665011  0.47833980
   0.43435726  0.14590171  0.84121262
   0.13137933  0.40714223  0.62861079
   0.38121111  0.39760683  0.76043253
   0.12928035  0.68403587  0.01794744
   0.39890848  0.57285644  0.36700836
   0.06646630  0.91372040  0.15532880
   0.34038260  0.83143695  0.25061614
   0.18925132  0.65654827  0.49228856
   0.37628975  0.65392357  0.87568122
   0.06812322  0.91668520  0.60271767
   0.34307829  0.99768253  0.67192490
   0.64733853  0.14689349  1.00603568
   0.85555807  0.13526005  0.35690089
   0.61622806  0.42193386  0.12271020
   0.88247199  0.30572097  0.17283069
   0.62549030  0.16852959  0.50923617
   0.89131187  0.11670655  0.87125519
   0.59113451  0.45526556  0.61851691
   0.77802812  0.37578159  0.79675059
   0.61819426  0.67233443  0.00312894
   0.91748742  0.59306060  0.38967241
   0.58580874  0.91560091  0.14015762
   0.83019943  0.84852538  0.27162990
   0.64696605  0.66402920  0.46457443
   0.87400580  0.61762813  0.89255120
   0.62087186  0.91424407  0.62153418
   0.84837882  0.85956905  0.75129360
   0.09873384  0.07743723  0.13521228
   0.37601285  0.18298041  0.28165948
   0.14289263  0.32892625  0.02402810
   0.34699352  0.41592543  0.35315714
   0.54234047  0.38460927  0.22090585
   0.28549594  0.38561669  0.16868666
   0.24379435  0.12042238  0.43069379
   0.01303665  0.19170886  0.38800769
   0.01345638  0.03217412  0.52778559
   0.47195760  0.25619844  0.76047721
   0.11768771  0.29131188  0.54583089
   0.37340196  0.48676775  0.85159474
   0.44634741  0.47465013  0.66986426
   0.22202809  0.37452540  0.72136835
   0.30473620  0.22303457 -0.10365742
   0.04880754  0.17697295  0.89901264
   0.13775616  0.57501585  0.10360541
   0.35360730  0.67345273  0.26989740
   0.09854735  0.83785326  0.05273960
   0.38676404  0.92347473  0.34571646
   0.43176050  0.88761532  0.16013151
   0.18122482  0.86098362  0.23357504
   0.33679687  0.65762480  0.44891803
   0.07815048  0.61504295  0.40508370
   0.19887875  0.52762579  0.56748967
   0.32767915  0.72808978  0.78224238
   0.15305643  0.80057702  0.53673898
   0.36820655  1.02011261  0.78716677
   0.45513670  0.89178687  0.63294070
   0.18217782  0.95537390  0.68021275
   0.27782232  0.65717946 -0.02784871
   0.02006665  0.66235338  0.93426194
   0.60910705  0.06850170  0.10259402
   0.84172547  0.18689665  0.24766973
   0.60954775  0.30485232  0.03567324
   0.87847755  0.43388027  0.35333079
   0.04300168  0.35060236  0.19402017
   0.77127866  0.42902178  0.15976189
   0.75138224  0.18981032  0.43631587
   0.50302075  0.11461724  0.44818219
   0.63825984  0.08783098  0.60461445
   0.83112271  0.22149328  0.78657971
   0.58816165  0.32072164  0.55002705
   0.89132891  0.46319107  0.84578764
   0.98864472  0.44090998  0.67955129
   0.72447756  0.41586437  0.68263062
   0.80265222  0.10920471  0.97052556
   0.55603119  0.11337721  0.91003708
   0.55803044  0.56989007  0.08257654
   0.86416577  0.70682165  0.31130901
   0.62239486  0.82072495  0.04972946
   0.87659467  0.96750042  0.34683180
   0.91288124  0.87035298  0.17227949
   0.67271694  0.87571180  0.23459171
   0.81115340  0.64027817  0.47458513
   0.56496713  0.57620099  0.37922992
   0.59271624  0.59997287  0.56126519
   0.83678041  0.71369490  0.80646424
   0.61387988  0.82167448  0.43830279
   0.91149400  0.95491720  0.84002919
   0.93810823  0.84414725  0.65154006
   0.69008120  0.90142007  0.73271177
   0.77883649  0.64955781  0.98230889
   0.53517674  0.68377048  0.90597654
   0.70425119  0.80447005  0.58029536
   0.52579971  0.86556462  0.41276852
   0.87743473  0.22057330  0.08977798
   0.96038687  0.37510836  0.35419518
   0.33983252  0.11473923  0.61641045
   0.23004372  0.75933366  0.77506365
   0.11999858  1.15360630  0.18845849
   0.21712084  1.05595940  0.01091184
   0.65498626  0.39478231  0.86761157
   0.90323802  0.42204560  0.63870723
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856722    0.149416   -0.104595
    -0.000000    9.845540   -0.212411
    -0.000000    0.000000   14.055721
   Si   O    H 
    32    64    10
Direct configuration=  1651
   0.18355240  0.19063624 -0.03009898
   0.38042512  0.08255200  0.37465873
   0.14036530  0.41483483  0.12091766
   0.38931333  0.33910241  0.24972037
   0.10452339  0.15707607  0.47838519
   0.43407281  0.14662878  0.83998511
   0.13185202  0.40887059  0.62956492
   0.38141727  0.39791695  0.76074613
   0.12979142  0.68255780  0.01716251
   0.39835573  0.57266885  0.36545364
   0.06598027  0.91405107  0.15608518
   0.33997809  0.83155639  0.25000570
   0.18792558  0.65679844  0.49235676
   0.37545058  0.65406619  0.87619689
   0.06842393  0.91658718  0.60239993
   0.34462605  0.99729339  0.67186718
   0.64760847  0.14650002  1.00614592
   0.85580729  0.13542876  0.35667379
   0.61692351  0.42192775  0.12308473
   0.88223683  0.30618054  0.17287631
   0.62470777  0.16981352  0.50993058
   0.89216286  0.11650774  0.87250500
   0.59262987  0.45457123  0.61753200
   0.77736860  0.37606429  0.79627369
   0.61892253  0.67318339  0.00283563
   0.91540425  0.59439341  0.38925565
   0.58451888  0.91642392  0.14102585
   0.83082321  0.84770913  0.27051492
   0.64589744  0.66290438  0.46435734
   0.87487562  0.61753560  0.89263332
   0.62030688  0.91504636  0.62285103
   0.84861092  0.85807205  0.75013948
   0.09875481  0.07679281  0.13672445
   0.37456381  0.18092306  0.28044774
   0.14151447  0.32929937  0.02380309
   0.34884127  0.41515822  0.35413887
   0.54254257  0.38495902  0.22183662
   0.28592322  0.38564884  0.16889930
   0.24469541  0.12060911  0.43047375
   0.01159183  0.18888551  0.38725417
   0.01187596  0.03006364  0.52832657
   0.47235632  0.25578735  0.76085144
   0.11801646  0.29017803  0.54514082
   0.37267198  0.48698267  0.85143202
   0.44844604  0.47433781  0.67065002
   0.22131413  0.37517897  0.72193942
   0.30450496  0.22271249 -0.10304403
   0.04962544  0.17833551  0.89858205
   0.13585079  0.57495631  0.10334667
   0.35458270  0.67371249  0.27003231
   0.09598772  0.83948374  0.05340383
   0.38876643  0.92527270  0.34615889
   0.43032477  0.88852865  0.16042260
   0.18283431  0.86016703  0.23244655
   0.33587378  0.65656335  0.44892779
   0.07674453  0.61432322  0.40555637
   0.19696419  0.52698743  0.56735702
   0.32643300  0.72911942  0.78201546
   0.15153991  0.80280925  0.53627763
   0.36825226  1.02166777  0.78806384
   0.45694626  0.89121235  0.63422893
   0.18126852  0.95639595  0.67971817
   0.27826255  0.65798479 -0.02868444
   0.02239456  0.66252286  0.93421951
   0.60739243  0.06980695  0.10396593
   0.84086204  0.18794306  0.24663842
   0.60885633  0.30537439  0.03551613
   0.87839437  0.43532704  0.35380144
   0.04394733  0.34779865  0.19402053
   0.77034864  0.42934139  0.15946047
   0.75108143  0.19047026  0.43585942
   0.50337603  0.11428259  0.44800369
   0.63823686  0.08681909  0.60469701
   0.82969327  0.21902135  0.78567279
   0.58774585  0.32291544  0.55014333
   0.88937356  0.46377796  0.84502500
   0.98608066  0.44285888  0.67982465
   0.72347961  0.41709633  0.68279194
   0.80200814  0.10942413  0.96962125
   0.55728244  0.11274206  0.90952119
   0.55677303  0.57057547  0.08314238
   0.86375495  0.70649412  0.30960574
   0.62123030  0.81974895  0.05007441
   0.87591701  0.96742494  0.34728192
   0.91256727  0.86952766  0.17150611
   0.67255966  0.87821255  0.23482571
   0.81196981  0.63877589  0.47403857
   0.56281918  0.57653039  0.37921169
   0.59452146  0.59902022  0.56055669
   0.83569623  0.71448704  0.80620125
   0.61367687  0.82239780  0.43815949
   0.91000481  0.95434511  0.83948343
   0.93773676  0.84358845  0.65141523
   0.68921551  0.90160732  0.73295281
   0.77937682  0.64913061  0.98363460
   0.53516751  0.68344300  0.90744646
   0.70059891  0.80690211  0.58327905
   0.52549838  0.86781474  0.41750583
   0.87728130  0.22399796  0.09199996
   0.95926364  0.37696031  0.35741751
   0.34227451  0.11610854  0.61564661
   0.23059793  0.76436767  0.77980162
   0.12512811  1.16002270  0.19266526
   0.21409487  1.05738806  0.00967647
   0.65180142  0.38307746  0.86358562
   0.90596632  0.41979523  0.64231911
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854800    0.149584   -0.103927
    -0.000000    9.846580   -0.213804
    -0.000000    0.000000   14.056703
   Si   O    H 
    32    64    10
Direct configuration=  1652
   0.18350851  0.19214166 -0.02986988
   0.38177853  0.08270296  0.37475467
   0.14042701  0.41540157  0.12125546
   0.39029973  0.33977651  0.24985142
   0.10526787  0.15735595  0.47800581
   0.43320212  0.14752208  0.83911258
   0.13137866  0.41024127  0.63032255
   0.38112039  0.39845902  0.76027456
   0.12985519  0.68118328  0.01623785
   0.39828793  0.57271356  0.36367260
   0.06592207  0.91452497  0.15652843
   0.33948981  0.83186618  0.24897499
   0.18693779  0.65675786  0.49207082
   0.37507280  0.65385208  0.87705726
   0.06820688  0.91599877  0.60184077
   0.34558447  0.99667179  0.67207532
   0.64773522  0.14690453  1.00572212
   0.85621069  0.13565608  0.35628013
   0.61724424  0.42220075  0.12336920
   0.88273692  0.30688208  0.17352567
   0.62372787  0.17150585  0.51032952
   0.89312553  0.11640108  0.87363911
   0.59349367  0.45407236  0.61665948
   0.77653697  0.37668495  0.79541397
   0.62048724  0.67367019  0.00279641
   0.91359199  0.59570364  0.38907986
   0.58349163  0.91664160  0.14176765
   0.83147935  0.84809750  0.26962846
   0.64476444  0.66203083  0.46434611
   0.87666460  0.61764983  0.89280831
   0.62003708  0.91614429  0.62420166
   0.84841507  0.85639859  0.74948845
   0.09795496  0.07705189  0.13811800
   0.37352071  0.17881417  0.27957886
   0.14034507  0.32982250  0.02411657
   0.35091820  0.41464393  0.35510318
   0.54209228  0.38572070  0.22276126
   0.28671326  0.38575445  0.16890431
   0.24580465  0.12042689  0.43053581
   0.00973630  0.18672617  0.38600440
   0.01063055  0.02808304  0.52843050
   0.47243991  0.25529372  0.76137489
   0.11812122  0.28885034  0.54482353
   0.37139706  0.48796483  0.85237340
   0.45027632  0.47369568  0.67175866
   0.22077521  0.37501225  0.72222692
   0.30508194  0.22283084 -0.10209309
   0.04981594  0.17871517  0.89812155
   0.13396318  0.57501545  0.10315475
   0.35459335  0.67365443  0.27054763
   0.09365070  0.84160201  0.05358617
   0.39037238  0.92634990  0.34620506
   0.42849188  0.88929360  0.16105845
   0.18446066  0.85924289  0.23195270
   0.33491350  0.65601945  0.44946441
   0.07533780  0.61394191  0.40604017
   0.19562075  0.52704413  0.56672064
   0.32593746  0.73071866  0.78167819
   0.14975469  0.80443714  0.53568654
   0.36744645  1.02322973  0.78799895
   0.45908074  0.89103592  0.63538324
   0.18093625  0.95674807  0.67969141
   0.27911877  0.65880197 -0.02985310
   0.02484613  0.66194257  0.93393914
   0.60603931  0.07106053  0.10478294
   0.83973247  0.18871377  0.24582658
   0.60791480  0.30577656  0.03514927
   0.87881389  0.43726682  0.35379639
   0.04387138  0.34613056  0.19479570
   0.77092359  0.42983268  0.15930762
   0.75041407  0.19006273  0.43584902
   0.50304428  0.11366292  0.44787140
   0.63886318  0.08482448  0.60449645
   0.82831163  0.21710782  0.78568150
   0.58675879  0.32386484  0.54935218
   0.88767435  0.46438963  0.84425557
   0.98381918  0.44492528  0.67912752
   0.72303286  0.41873542  0.68392661
   0.80145706  0.11030891  0.96817043
   0.55911989  0.11250728  0.90910463
   0.55619762  0.57085364  0.08345137
   0.86376420  0.70621198  0.30817969
   0.62038602  0.81911600  0.05031605
   0.87528270  0.96734124  0.34784824
   0.91176512  0.86887169  0.17117413
   0.67255506  0.88078768  0.23483769
   0.81252571  0.63710368  0.47361718
   0.56133548  0.57691874  0.37909285
   0.59608707  0.59869009  0.56008701
   0.83391652  0.71561377  0.80621976
   0.61352890  0.82314619  0.43823991
   0.90844182  0.95401066  0.83792101
   0.93757805  0.84335186  0.65142166
   0.68863579  0.90233479  0.73340433
   0.78004916  0.64860898  0.98500338
   0.53354597  0.68324593  0.90813625
   0.69963379  0.81029699  0.58498098
   0.52949825  0.86510158  0.42236805
   0.87971521  0.22325678  0.08949725
   0.96194238  0.37522524  0.36169070
   0.34549970  0.12065858  0.61469822
   0.23902342  0.76462385  0.78441898
   0.12214800  1.15092382  0.18917390
   0.21247861  1.06306841  0.01021904
   0.65052433  0.37115669  0.85841149
   0.90620123  0.41850483  0.64643489
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852682    0.150281   -0.103093
    -0.000000    9.847790   -0.214557
    -0.000000    0.000000   14.058069
   Si   O    H 
    32    64    10
Direct configuration=  1653
   0.18339354  0.19345066 -0.02977033
   0.38290391  0.08297438  0.37466653
   0.14104365  0.41587068  0.12145177
   0.39145593  0.34010253  0.25017784
   0.10545874  0.15790814  0.47790958
   0.43227356  0.14846114  0.83868705
   0.13057469  0.41180209  0.63084081
   0.38112227  0.39822493  0.75963822
   0.12993839  0.67998920  0.01550463
   0.39822239  0.57280726  0.36136689
   0.06605980  0.91546454  0.15670558
   0.33931217  0.83254118  0.24802037
   0.18647676  0.65662552  0.49209576
   0.37531264  0.65325130  0.87761505
   0.06825358  0.91581740  0.60113910
   0.34640040  0.99637674  0.67273818
   0.64753373  0.14660317  1.00509081
   0.85660359  0.13642383  0.35592074
   0.61764525  0.42302084  0.12359418
   0.88287764  0.30767010  0.17413031
   0.62283968  0.17391165  0.51066181
   0.89506230  0.11648251  0.87417487
   0.59391731  0.45370751  0.61558296
   0.77519427  0.37679161  0.79465592
   0.62244763  0.67411419  0.00304172
   0.91160656  0.59679481  0.38824227
   0.58327819  0.91716768  0.14225923
   0.83193009  0.84862340  0.26841231
   0.64414847  0.66114802  0.46414096
   0.87863572  0.61901481  0.89283866
   0.61960447  0.91670941  0.62552477
   0.84794712  0.85457313  0.74952812
   0.09671347  0.07764719  0.13987062
   0.37298633  0.17719760  0.27876439
   0.13942110  0.33113511  0.02420286
   0.35261411  0.41471202  0.35612041
   0.54062791  0.38568967  0.22311515
   0.28783220  0.38655479  0.16878597
   0.24618667  0.12021802  0.43148609
   0.00762271  0.18561397  0.38469986
   0.00945629  0.02689451  0.52848416
   0.47212978  0.25464988  0.76133139
   0.11778163  0.28832889  0.54455286
   0.36983177  0.48895861  0.85381582
   0.45215036  0.47328316  0.67247434
   0.22033692  0.37473477  0.72238063
   0.30522995  0.22369477 -0.10155207
   0.05032743  0.17975770  0.89771645
   0.13245281  0.57523489  0.10246311
   0.35526455  0.67315353  0.27072114
   0.09285717  0.84331222  0.05369450
   0.39243349  0.92720870  0.34610283
   0.42592284  0.89054823  0.16120789
   0.18583517  0.85850382  0.23117922
   0.33471885  0.65569228  0.45035334
   0.07443947  0.61371241  0.40625932
   0.19349456  0.52785337  0.56673318
   0.32595722  0.73130107  0.78146038
   0.14870528  0.80582092  0.53522075
   0.36639323  1.02503173  0.78804447
   0.46134998  0.89045556  0.63680459
   0.18026787  0.95687100  0.67963771
   0.27956102  0.65968194 -0.03114914
   0.02662725  0.66097210  0.93361239
   0.60517634  0.07184026  0.10543477
   0.83875794  0.18945621  0.24524453
   0.60709131  0.30594837  0.03509507
   0.87958896  0.43957320  0.35415306
   0.04310429  0.34361689  0.19584230
   0.77243324  0.43052495  0.15919410
   0.75043270  0.18944659  0.43583202
   0.50179980  0.11262843  0.44789893
   0.63931584  0.08259638  0.60384287
   0.82717921  0.21467493  0.78563885
   0.58548603  0.32443088  0.54864911
   0.88623181  0.46597281  0.84418675
   0.98240518  0.44716943  0.67867955
   0.72331310  0.42018531  0.68522209
   0.80076440  0.11113632  0.96703732
   0.56117899  0.11198737  0.90855560
   0.55599337  0.57121594  0.08367486
   0.86452927  0.70404684  0.30682190
   0.61947775  0.81831877  0.05024135
   0.87451196  0.96694613  0.34825254
   0.91105170  0.86845044  0.17115640
   0.67262554  0.88325125  0.23499398
   0.81271205  0.63530518  0.47350945
   0.56024326  0.57676067  0.37906981
   0.59754877  0.59800719  0.56020830
   0.83175725  0.71626038  0.80647872
   0.61484003  0.82359879  0.43845226
   0.90674902  0.95366766  0.83666641
   0.93765484  0.84245805  0.65126906
   0.68896803  0.90436698  0.73352008
   0.78059176  0.64798698  0.98590858
   0.53209705  0.68308216  0.90805233
   0.70252963  0.81021884  0.58457408
   0.52715514  0.86635403  0.42485724
   0.88246399  0.22356014  0.08538899
   0.95886890  0.37587417  0.36594592
   0.34742310  0.12526853  0.61390675
   0.23560910  0.77154778  0.78808624
   0.11509369  1.13622315  0.18248343
   0.21083119  1.06552787  0.01262597
   0.65066222  0.36331527  0.84914623
   0.89780097  0.41537848  0.64494525
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850668    0.151292   -0.102128
    -0.000000    9.849425   -0.214955
    -0.000000    0.000000   14.059375
   Si   O    H 
    32    64    10
Direct configuration=  1654
   0.18333353  0.19405396 -0.02988237
   0.38350463  0.08370904  0.37460124
   0.14173682  0.41590339  0.12143803
   0.39155086  0.33985587  0.25060498
   0.10571727  0.15837869  0.47773385
   0.43189998  0.14962301  0.83877035
   0.12929428  0.41330139  0.63130804
   0.38057789  0.39837691  0.75881715
   0.13013703  0.67918915  0.01447583
   0.39807833  0.57315841  0.35938823
   0.06603302  0.91610877  0.15674738
   0.33917297  0.83288911  0.24717924
   0.18602555  0.65674534  0.49211404
   0.37543473  0.65277466  0.87825059
   0.06796489  0.91565233  0.60061775
   0.34674632  0.99716746  0.67357104
   0.64746418  0.14671374  1.00446628
   0.85663730  0.13728851  0.35524099
   0.61802096  0.42380031  0.12392545
   0.88353491  0.30780919  0.17454561
   0.62226836  0.17567703  0.51109226
   0.89656314  0.11667036  0.87461986
   0.59430347  0.45401140  0.61467673
   0.77354956  0.37642156  0.79377469
   0.62472497  0.67425268  0.00293329
   0.90943383  0.59764602  0.38697226
   0.58290769  0.91771210  0.14253392
   0.83248228  0.84912562  0.26722724
   0.64444871  0.66032244  0.46404966
   0.88027990  0.61960629  0.89301456
   0.61945591  0.91768696  0.62675141
   0.84698277  0.85302027  0.74943312
   0.09493031  0.07567476  0.14043370
   0.37264940  0.17586767  0.27822868
   0.13863788  0.33130136  0.02467923
   0.35382347  0.41522157  0.35614023
   0.53954774  0.38523721  0.22285730
   0.28890412  0.38705454  0.16901401
   0.24554201  0.11985999  0.43218564
   0.00692004  0.18491762  0.38343616
   0.00912787  0.02614714  0.52861932
   0.47202176  0.25358974  0.76126315
   0.11749637  0.28829185  0.54484607
   0.36824195  0.48991128  0.85572978
   0.45430545  0.47333179  0.67315051
   0.22028864  0.37483098  0.72227136
   0.30558929  0.22395538 -0.10089041
   0.04985111  0.18017836  0.89742985
   0.13057724  0.57565645  0.10222872
   0.35568506  0.67277446  0.27072015
   0.09280047  0.84455732  0.05354796
   0.39384763  0.92772376  0.34534743
   0.42338971  0.89227173  0.16144655
   0.18682417  0.85703411  0.23061036
   0.33479518  0.65524578  0.45099871
   0.07341864  0.61409771  0.40660697
   0.19121801  0.52986051  0.56749925
   0.32593050  0.73292231  0.78136875
   0.14750991  0.80699020  0.53543307
   0.36503345  1.02562684  0.78813309
   0.46336505  0.88920011  0.63717356
   0.18071356  0.95742377  0.67949503
   0.28031948  0.66105511 -0.03203925
   0.02782061  0.65943626  0.93317171
   0.60417800  0.07267579  0.10608404
   0.83707048  0.19006226  0.24478635
   0.60586154  0.30569878  0.03499817
   0.88147087  0.44137404  0.35440574
   0.04217844  0.34161424  0.19640682
   0.77429782  0.43133638  0.15935687
   0.75007368  0.18835061  0.43598053
   0.50115551  0.11154495  0.44779708
   0.63958565  0.08019332  0.60313260
   0.82640803  0.21186178  0.78617003
   0.58419493  0.32521248  0.54740711
   0.88496257  0.46869606  0.84487427
   0.97991870  0.44975665  0.67760045
   0.72355402  0.42237099  0.68609081
   0.80036615  0.11184549  0.96630090
   0.56281188  0.11162428  0.90822068
   0.55587720  0.57164841  0.08351112
   0.86557708  0.70190949  0.30546667
   0.61900963  0.81755934  0.05035741
   0.87397804  0.96638212  0.34886340
   0.91070064  0.86749650  0.17181394
   0.67209125  0.88575880  0.23489977
   0.81166180  0.63406803  0.47365163
   0.55979821  0.57636090  0.37999827
   0.59891896  0.59627359  0.56037259
   0.82942387  0.71684287  0.80664803
   0.61656546  0.82416779  0.43904423
   0.90532396  0.95425181  0.83528974
   0.93829952  0.84156543  0.65156875
   0.68974942  0.90576108  0.73379263
   0.78156824  0.64634831  0.98654489
   0.53030310  0.68277174  0.90770038
   0.70765664  0.80862124  0.58222886
   0.52255592  0.86434503  0.42768102
   0.88508134  0.22494563  0.08370470
   0.95155898  0.37834529  0.36679692
   0.34821767  0.12845030  0.61292347
   0.23608382  0.77865184  0.79086436
   0.11570191  1.14484403  0.19424051
   0.20983387  1.06809992  0.01390451
   0.64957242  0.35918122  0.84183089
   0.89639815  0.41617111  0.64283537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848963    0.152594   -0.100995
    -0.000000    9.851342   -0.214723
    -0.000000    0.000000   14.060977
   Si   O    H 
    32    64    10
Direct configuration=  1655
   0.18292277  0.19477834 -0.03010696
   0.38342940  0.08514956  0.37464092
   0.14230161  0.41565038  0.12146150
   0.39154855  0.33925706  0.25113764
   0.10547812  0.15822233  0.47747086
   0.43141498  0.15094618  0.83950825
   0.12727350  0.41506321  0.63160773
   0.38026914  0.39860543  0.75749948
   0.13080505  0.67904481  0.01360979
   0.39798268  0.57392671  0.35752518
   0.06621163  0.91634621  0.15687595
   0.33945971  0.83328588  0.24675412
   0.18590848  0.65683864  0.49180606
   0.37546884  0.65229824  0.87893990
   0.06742487  0.91563754  0.60009972
   0.34700551  0.99763303  0.67458635
   0.64770576  0.14674070  1.00349226
   0.85669289  0.13764228  0.35465663
   0.61837257  0.42385812  0.12420299
   0.88386745  0.30767257  0.17450002
   0.62171607  0.17679677  0.51152709
   0.89780928  0.11718030  0.87479506
   0.59409808  0.45528066  0.61387996
   0.77212835  0.37518438  0.79291780
   0.62644746  0.67382508  0.00276119
   0.90777877  0.59758610  0.38562918
   0.58252409  0.91806835  0.14269917
   0.83285023  0.84932446  0.26648846
   0.64441178  0.65999863  0.46402286
   0.88228976  0.62021499  0.89339429
   0.61905448  0.91901826  0.62751046
   0.84575073  0.85248506  0.74931487
   0.09322937  0.07354684  0.14121508
   0.37256853  0.17433266  0.27737525
   0.13803099  0.33113416  0.02479778
   0.35472495  0.41582017  0.35590456
   0.53873710  0.38502089  0.22279491
   0.28958814  0.38783464  0.16894163
   0.24458280  0.11944358  0.43371943
   0.00710030  0.18447201  0.38222015
   0.00861585  0.02643573  0.52866295
   0.47245485  0.25244153  0.76122820
   0.11733137  0.28771434  0.54530083
   0.36701163  0.49079778  0.85755130
   0.45580122  0.47376046  0.67388597
   0.22076306  0.37484838  0.72205489
   0.30690260  0.22389791 -0.10049624
   0.04922121  0.18017281  0.89718221
   0.12943299  0.57540764  0.10223890
   0.35628365  0.67265020  0.27027875
   0.09321091  0.84458352  0.05306403
   0.39486086  0.92741422  0.34405482
   0.42078993  0.89455620  0.16160206
   0.18573840  0.85634111  0.22963031
   0.33432539  0.65550621  0.45150460
   0.07321624  0.61439815  0.40693455
   0.18952797  0.53198740  0.56834197
   0.32604124  0.73409660  0.78141232
   0.14683200  0.80796517  0.53535763
   0.36375214  1.02686916  0.78766189
   0.46454393  0.88800305  0.63785461
   0.18184256  0.95790709  0.67953118
   0.28107425  0.66240547 -0.03226725
   0.02861630  0.65768315  0.93242387
   0.60391186  0.07387475  0.10697992
   0.83477225  0.19104074  0.24423846
   0.60475372  0.30624735  0.03541495
   0.88390788  0.44328888  0.35417116
   0.04111316  0.34044701  0.19699563
   0.77631555  0.43155217  0.15918305
   0.75022595  0.18679918  0.43667951
   0.49999653  0.11087133  0.44737184
   0.64058599  0.07809673  0.60212304
   0.82523931  0.20860299  0.78687870
   0.58250469  0.32563185  0.54638914
   0.88431339  0.47142932  0.84529990
   0.97821070  0.45187217  0.67654194
   0.72396860  0.42495162  0.68683547
   0.80081251  0.11239528  0.96571007
   0.56383757  0.11147231  0.90810875
   0.55610839  0.57196819  0.08341222
   0.86661162  0.69966227  0.30375765
   0.61774679  0.81783932  0.05099451
   0.87310239  0.96642586  0.34914378
   0.91020658  0.86633535  0.17126670
   0.67157052  0.88759096  0.23512593
   0.81054865  0.63303478  0.47287660
   0.55941809  0.57504721  0.38113230
   0.59988166  0.59408780  0.56048413
   0.82712144  0.71668697  0.80679620
   0.61796450  0.82383257  0.43970936
   0.90350373  0.95512865  0.83354069
   0.93889944  0.84150727  0.65265637
   0.69067098  0.90766412  0.73407288
   0.78245812  0.64467334  0.98731625
   0.52913932  0.68237170  0.90695261
   0.71337381  0.81182715  0.57949309
   0.51959743  0.85851954  0.42558423
   0.88777253  0.23130958  0.08399148
   0.95482474  0.37338569  0.36778355
   0.35033579  0.12768417  0.61399652
   0.24010719  0.78308325  0.79053554
   0.11454662  1.14635713  0.20306229
   0.21208599  1.07028393  0.01455558
   0.64234784  0.35682996  0.83702126
   0.89915575  0.42163837  0.64076897
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847322    0.153044   -0.099805
    -0.000000    9.853094   -0.214189
    -0.000000    0.000000   14.062280
   Si   O    H 
    32    64    10
Direct configuration=  1656
   0.18228682  0.19547709 -0.03025551
   0.38371613  0.08650951  0.37471025
   0.14288861  0.41542379  0.12114759
   0.39097760  0.33937163  0.25158068
   0.10436616  0.15791165  0.47713332
   0.43125503  0.15255284  0.84042479
   0.12548148  0.41684855  0.63185968
   0.38006020  0.39843609  0.75621162
   0.13212409  0.67887690  0.01313071
   0.39798843  0.57461520  0.35588586
   0.06616363  0.91643525  0.15710613
   0.34013420  0.83408252  0.24659730
   0.18544538  0.65740554  0.49187053
   0.37566585  0.65192098  0.87935571
   0.06639361  0.91531679  0.59952278
   0.34708563  0.99827282  0.67535780
   0.64784724  0.14669951  1.00298925
   0.85695544  0.13728035  0.35392338
   0.61844488  0.42404238  0.12461057
   0.88413791  0.30757110  0.17436596
   0.62100177  0.17705600  0.51198940
   0.89950288  0.11693113  0.87482767
   0.59316219  0.45615389  0.61339017
   0.77174770  0.37416068  0.79178837
   0.62715621  0.67330528  0.00283080
   0.90621103  0.59790579  0.38457989
   0.58272124  0.91821403  0.14223482
   0.83284462  0.84986583  0.26615120
   0.64379278  0.66035899  0.46405768
   0.88358436  0.62149539  0.89329155
   0.61992212  0.92040432  0.62820290
   0.84479922  0.85253823  0.74889749
   0.09163171  0.07267985  0.14181561
   0.37316809  0.17309345  0.27641902
   0.13788983  0.33039095  0.02523057
   0.35576196  0.41596994  0.35526808
   0.53762493  0.38520010  0.22256468
   0.28959651  0.38795859  0.16926788
   0.24447277  0.11972276  0.43532728
   0.00775281  0.18475449  0.38194002
   0.00866006  0.02752628  0.52839595
   0.47281538  0.25258610  0.76089460
   0.11752493  0.28745670  0.54561197
   0.36561554  0.49067107  0.85868829
   0.45777006  0.47346145  0.67436485
   0.22219711  0.37475027  0.72194937
   0.30839649  0.22336936 -0.10026452
   0.04806222  0.17928316  0.89747191
   0.12873678  0.57474819  0.10246246
   0.35753635  0.67160875  0.26947803
   0.09380814  0.84395595  0.05273454
   0.39542302  0.92632259  0.34320675
   0.41878248  0.89692512  0.16162537
   0.18491711  0.85605110  0.22873014
   0.33429292  0.65640603  0.45159067
   0.07346687  0.61516783  0.40733908
   0.18784556  0.53395173  0.56906170
   0.32623578  0.73577703  0.78171571
   0.14590017  0.80807805  0.53509501
   0.36331871  1.02752219  0.78753302
   0.46528374  0.88734024  0.63886530
   0.18258481  0.95782685  0.67970120
   0.28173719  0.66342734 -0.03214169
   0.02924904  0.65608508  0.93155216
   0.60422786  0.07577372  0.10735616
   0.83216142  0.19149253  0.24414255
   0.60502279  0.30719278  0.03594093
   0.88545254  0.44521949  0.35392340
   0.04084440  0.33901774  0.19725709
   0.77893413  0.43136745  0.15939616
   0.75001256  0.18584028  0.43733382
   0.50055658  0.11049983  0.44646592
   0.64227378  0.07572550  0.60080226
   0.82361158  0.20631780  0.78747028
   0.58022029  0.32605470  0.54538566
   0.88334641  0.47384541  0.84560799
   0.97781438  0.45346096  0.67558796
   0.72416212  0.42782848  0.68763400
   0.80155694  0.11201916  0.96426095
   0.56400768  0.11176645  0.90766195
   0.55665823  0.57270717  0.08317256
   0.86730377  0.69747185  0.30192611
   0.61663758  0.81953954  0.05127569
   0.87281591  0.96650454  0.34943419
   0.91012916  0.86480260  0.17057560
   0.67167890  0.88859614  0.23547981
   0.81036606  0.63184186  0.47206349
   0.55874098  0.57337578  0.38219225
   0.60169757  0.59251530  0.56078109
   0.82509858  0.71606068  0.80762367
   0.61929691  0.82332215  0.44077440
   0.90190109  0.95620689  0.83175530
   0.93977916  0.84103331  0.65392280
   0.69242488  0.91012468  0.73468608
   0.78336815  0.64325274  0.98742102
   0.52882695  0.68202775  0.90676198
   0.71506710  0.81704860  0.57889264
   0.52329398  0.85047718  0.42466128
   0.88912652  0.23759057  0.08309560
   0.95739685  0.37283482  0.36997967
   0.34891890  0.12439378  0.61558930
   0.24527217  0.78549668  0.78919986
   0.11265508  1.13192378  0.20473379
   0.21516964  1.07011371  0.01713477
   0.63582723  0.35667918  0.83527774
   0.89988677  0.42917298  0.63850637
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846323    0.153803   -0.098297
    -0.000000    9.854783   -0.213977
    -0.000000    0.000000   14.063691
   Si   O    H 
    32    64    10
Direct configuration=  1657
   0.18170809  0.19596192 -0.03090808
   0.38313633  0.08771753  0.37484711
   0.14337335  0.41477362  0.12085166
   0.38952947  0.33941632  0.25214817
   0.10300354  0.15714833  0.47714995
   0.43066591  0.15333392  0.84150907
   0.12388836  0.41842366  0.63216782
   0.38019655  0.39849168  0.75510754
   0.13306323  0.67916411  0.01311920
   0.39761574  0.57548396  0.35467314
   0.06590254  0.91634351  0.15736627
   0.34101914  0.83450321  0.24648068
   0.18462236  0.65769094  0.49205158
   0.37633465  0.65195625  0.87972881
   0.06534587  0.91517669  0.59932500
   0.34679887  0.99965588  0.67605788
   0.64832752  0.14617096  1.00265645
   0.85741402  0.13673488  0.35316311
   0.61831742  0.42422636  0.12520211
   0.88402961  0.30755392  0.17395907
   0.62018333  0.17726816  0.51204438
   0.90107559  0.11671265  0.87434723
   0.59168727  0.45656297  0.61305086
   0.77109982  0.37314459  0.79079360
   0.62743609  0.67277208  0.00283954
   0.90510534  0.59846927  0.38370491
   0.58265602  0.91833876  0.14171885
   0.83276715  0.85030772  0.26578489
   0.64297856  0.66104626  0.46405875
   0.88421920  0.62298584  0.89388216
   0.62043043  0.92112286  0.62879684
   0.84445915  0.85261546  0.74870793
   0.09083914  0.07240727  0.14246205
   0.37407144  0.17283579  0.27509517
   0.13713718  0.33035729  0.02496971
   0.35610694  0.41547610  0.35422121
   0.53659145  0.38542282  0.22184979
   0.28895485  0.38760131  0.16972591
   0.24492291  0.11979919  0.43660574
   0.00889811  0.18490014  0.38177801
   0.00819559  0.02870410  0.52828062
   0.47307608  0.25336322  0.76037085
   0.11796429  0.28747762  0.54677762
   0.36469941  0.49028910  0.85908515
   0.45979686  0.47406965  0.67530638
   0.22301582  0.37421711  0.72122379
   0.31038479  0.22350170 -0.10026777
   0.04612686  0.17764835  0.89730025
   0.12845087  0.57433934  0.10256769
   0.35860687  0.67027184  0.26892919
   0.09398853  0.84235297  0.05217281
   0.39616184  0.92539046  0.34253010
   0.41796988  0.89955021  0.16231627
   0.18333008  0.85535198  0.22783319
   0.33484834  0.65670805  0.45165827
   0.07320067  0.61635093  0.40803888
   0.18717389  0.53620579  0.56927470
   0.32698050  0.73685817  0.78206140
   0.14510951  0.80715016  0.53467067
   0.36305235  1.02833631  0.78772185
   0.46533336  0.88725824  0.64003851
   0.18295492  0.95910216  0.67942564
   0.28131900  0.66539336 -0.03147156
   0.02872674  0.65325778  0.93000810
   0.60398720  0.07796646  0.10725520
   0.83062050  0.19146637  0.24404094
   0.60647914  0.30810153  0.03711294
   0.88691377  0.44638017  0.35406801
   0.04140869  0.33755206  0.19789552
   0.78080139  0.43167248  0.15958984
   0.74906018  0.18457220  0.43728407
   0.50204122  0.11092042  0.44610489
   0.64407511  0.07344543  0.59956800
   0.82245823  0.20415065  0.78806679
   0.57877069  0.32670464  0.54390435
   0.88261686  0.47494681  0.84563941
   0.97805291  0.45566560  0.67469472
   0.72364218  0.43011901  0.68831747
   0.80242805  0.11205351  0.96321131
   0.56435493  0.11227391  0.90710275
   0.55735098  0.57262644  0.08314034
   0.86733466  0.69554994  0.29993175
   0.61540843  0.82205572  0.05165075
   0.87217064  0.96646479  0.34963401
   0.91079825  0.86425959  0.16955118
   0.67220210  0.88909127  0.23594327
   0.80967050  0.63124969  0.47165839
   0.55886993  0.57242764  0.38337620
   0.60356373  0.59107939  0.56072257
   0.82401567  0.71624380  0.80763377
   0.62012708  0.82249554  0.44117878
   0.90148809  0.95836817  0.83024385
   0.94096440  0.84062390  0.65472055
   0.69280412  0.91199451  0.73486996
   0.78514573  0.64159107  0.98748489
   0.52968731  0.68116757  0.90688127
   0.71459516  0.82877072  0.57787283
   0.52649268  0.84375561  0.42354949
   0.89277620  0.24540190  0.08189059
   0.95465289  0.37545524  0.37061799
   0.34786653  0.11772452  0.61923341
   0.24313075  0.79216151  0.78817388
   0.10967685  1.11303229  0.19931989
   0.22293091  1.06938677  0.01961724
   0.63290963  0.36250152  0.83573313
   0.89935462  0.43799227  0.63550984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845754    0.154802   -0.097074
    -0.000000    9.856362   -0.214048
    -0.000000    0.000000   14.064739
   Si   O    H 
    32    64    10
Direct configuration=  1658
   0.18090230  0.19605606 -0.03188659
   0.38259360  0.08877989  0.37488777
   0.14369027  0.41357117  0.12081966
   0.38813867  0.33906771  0.25329446
   0.10089361  0.15656892  0.47772234
   0.43084064  0.15414108  0.84287318
   0.12260068  0.41945127  0.63249262
   0.38007700  0.39865269  0.75424905
   0.13414289  0.68031797  0.01320656
   0.39716068  0.57624583  0.35368551
   0.06546458  0.91623523  0.15707282
   0.34191635  0.83480695  0.24682586
   0.18351284  0.65803015  0.49198390
   0.37679974  0.65208910  0.88001442
   0.06410085  0.91477455  0.59952367
   0.34592016  1.00119049  0.67691943
   0.64892659  0.14542613  1.00296297
   0.85758014  0.13617276  0.35281438
   0.61860707  0.42415030  0.12570316
   0.88345460  0.30768208  0.17372733
   0.62001908  0.17727410  0.51202456
   0.90256358  0.11647348  0.87413840
   0.59110849  0.45669337  0.61303028
   0.77092746  0.37223703  0.78967535
   0.62780787  0.67277268  0.00269441
   0.90474045  0.59903885  0.38317447
   0.58313608  0.91821945  0.14124552
   0.83257460  0.85028540  0.26592716
   0.64251499  0.66161483  0.46383184
   0.88410492  0.62470834  0.89448519
   0.62139923  0.92162403  0.62947740
   0.84396086  0.85334662  0.74870764
   0.08939641  0.07253437  0.14286829
   0.37569632  0.17271605  0.27385154
   0.13623728  0.33117896  0.02474183
   0.35693347  0.41553996  0.35340615
   0.53616320  0.38561013  0.22127535
   0.28862623  0.38709094  0.16992614
   0.24545752  0.11967290  0.43780917
   0.01026542  0.18565255  0.38162027
   0.00783000  0.03019773  0.52796079
   0.47385669  0.25469701  0.75968057
   0.11865290  0.28773932  0.54809738
   0.36397841  0.48970952  0.85906595
   0.46136976  0.47470138  0.67602786
   0.22417705  0.37451638  0.72027674
   0.31124280  0.22404601 -0.10069559
   0.04481610  0.17646042  0.89762671
   0.12881797  0.57407161  0.10230511
   0.35921534  0.66924554  0.26761808
   0.09467333  0.84115001  0.05123876
   0.39627153  0.92517865  0.34191183
   0.41715611  0.90129047  0.16272374
   0.18232387  0.85448669  0.22693695
   0.33638240  0.65678865  0.45177467
   0.07232356  0.61718480  0.40887423
   0.18612060  0.53844826  0.56927130
   0.32714310  0.73885779  0.78267087
   0.14465896  0.80540108  0.53435672
   0.36280742  1.02897858  0.78857084
   0.46400895  0.88711091  0.64104599
   0.18353992  0.95977560  0.67908250
   0.27993971  0.66804387 -0.03106760
   0.02851514  0.65079763  0.92841191
   0.60444866  0.07948994  0.10715660
   0.82875186  0.19223305  0.24436757
   0.60822328  0.30864929  0.03824098
   0.88829718  0.44589308  0.35405155
   0.04148593  0.33706106  0.19860592
   0.78190714  0.43228428  0.16016400
   0.74752962  0.18336287  0.43720022
   0.50319841  0.11227767  0.44612537
   0.64616641  0.07226731  0.59805970
   0.82177051  0.20311491  0.78868254
   0.57744337  0.32744225  0.54178536
   0.88073883  0.47537749  0.84531534
   0.97892212  0.45780329  0.67369000
   0.72349336  0.43282096  0.68832832
   0.80343010  0.11243302  0.96293086
   0.56395611  0.11256045  0.90622967
   0.55852055  0.57306253  0.08301590
   0.86716130  0.69399029  0.29811102
   0.61389687  0.82408244  0.05192786
   0.87137677  0.96648632  0.34920100
   0.91136689  0.86386908  0.16832357
   0.67262594  0.88918209  0.23648214
   0.80785821  0.63173658  0.47200861
   0.55939676  0.57141306  0.38404652
   0.60464991  0.58985432  0.56077186
   0.82362540  0.71535824  0.80715819
   0.62093597  0.82119079  0.44196756
   0.90135820  0.96094881  0.82902357
   0.94251489  0.84060520  0.65548051
   0.69342118  0.91445677  0.73505144
   0.78688533  0.63986731  0.98791462
   0.53145231  0.68063465  0.90698286
   0.71285905  0.84059952  0.57688200
   0.52997850  0.83571238  0.42142037
   0.89573320  0.24926337  0.07639672
   0.94866644  0.38200722  0.37034488
   0.34779866  0.11571461  0.61884806
   0.24369959  0.79705308  0.78768814
   0.10815119  1.10606724  0.20519826
   0.23084418  1.07081636  0.01825088
   0.63579427  0.37003117  0.83604162
   0.89690708  0.44675578  0.62921630
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845181    0.156007   -0.095675
    -0.000000    9.858099   -0.213746
    -0.000000    0.000000   14.065552
   Si   O    H 
    32    64    10
Direct configuration=  1659
   0.17938414  0.19566285 -0.03300470
   0.38172006  0.09027828  0.37488429
   0.14415981  0.41280090  0.12154289
   0.38699830  0.33845307  0.25442419
   0.09899910  0.15601309  0.47847228
   0.43102860  0.15520943  0.84455745
   0.12226027  0.42033614  0.63271197
   0.37985545  0.39885454  0.75406270
   0.13508589  0.68126638  0.01321516
   0.39672964  0.57629117  0.35295742
   0.06481698  0.91575470  0.15663684
   0.34293505  0.83540873  0.24745352
   0.18243267  0.65911123  0.49140865
   0.37705159  0.65135433  0.88002490
   0.06290314  0.91416401  0.59949561
   0.34495119  1.00284095  0.67809353
   0.64975417  0.14486056  1.00344326
   0.85758061  0.13531808  0.35262461
   0.61904572  0.42444731  0.12639783
   0.88321522  0.30777348  0.17287384
   0.61995739  0.17752286  0.51143745
   0.90390351  0.11603079  0.87362453
   0.59069181  0.45646020  0.61338783
   0.77078945  0.37086345  0.78913359
   0.62850226  0.67312778  0.00282383
   0.90471723  0.59975861  0.38272553
   0.58342003  0.91849124  0.14072410
   0.83169791  0.85019950  0.26627138
   0.64241848  0.66213146  0.46425278
   0.88370250  0.62635588  0.89496288
   0.62215169  0.92220233  0.63093125
   0.84282629  0.85448077  0.74850609
   0.08787089  0.07307766  0.14300803
   0.37665950  0.17322909  0.27200604
   0.13541427  0.33207722  0.02448086
   0.35743093  0.41585233  0.35289129
   0.53606975  0.38547556  0.22077835
   0.28887098  0.38693012  0.16955918
   0.24577210  0.11924628  0.43872538
   0.01216382  0.18613104  0.38157082
   0.00719516  0.03150103  0.52763936
   0.47373198  0.25601058  0.75903864
   0.11910454  0.28819792  0.54960452
   0.36416265  0.48941853  0.85845047
   0.46203597  0.47598708  0.67698762
   0.22527295  0.37426860  0.71891516
   0.31160049  0.22595554 -0.10096478
   0.04460739  0.17586100  0.89800486
   0.12921610  0.57374386  0.10150500
   0.35933712  0.66862027  0.26665871
   0.09592049  0.83976572  0.05023425
   0.39590017  0.92535431  0.34167321
   0.41681943  0.90261113  0.16249199
   0.18099269  0.85331883  0.22623726
   0.33725218  0.65689952  0.45127612
   0.07075894  0.61785542  0.40936781
   0.18416550  0.54066829  0.56959243
   0.32715090  0.74040196  0.78347735
   0.14393417  0.80435340  0.53401578
   0.36271322  1.02891077  0.78911490
   0.46193662  0.88641698  0.64189728
   0.18403851  0.96038271  0.67834194
   0.27880706  0.67054650 -0.03097109
   0.02888091  0.64902337  0.92686939
   0.60456569  0.08110580  0.10682984
   0.82717618  0.19239350  0.24535443
   0.61046421  0.30905198  0.03903487
   0.88805709  0.44529775  0.35419663
   0.04140072  0.33709388  0.19900254
   0.78302664  0.43277192  0.16051055
   0.74643240  0.18134472  0.43694098
   0.50379335  0.11331563  0.44673382
   0.64803348  0.07134772  0.59642218
   0.82158404  0.20226786  0.78945086
   0.57632612  0.32830103  0.53912119
   0.87901292  0.47432442  0.84482413
   0.97902971  0.45941922  0.67303820
   0.72263922  0.43504929  0.68758117
   0.80414697  0.11253111  0.96397046
   0.56309038  0.11246013  0.90557416
   0.56031541  0.57332084  0.08238931
   0.86641719  0.69352385  0.29628469
   0.61343177  0.82548234  0.05211890
   0.87059283  0.96561858  0.34900487
   0.91104400  0.86377157  0.16726196
   0.67305500  0.88900121  0.23597325
   0.80623530  0.63229192  0.47262479
   0.56067438  0.57116637  0.38507778
   0.60422415  0.58969164  0.56043295
   0.82400163  0.71512822  0.80720648
   0.62175701  0.81994739  0.44303059
   0.90143399  0.96431444  0.82755848
   0.94450894  0.84032840  0.65561327
   0.69377213  0.91745671  0.73482747
   0.78845382  0.63823684  0.98820815
   0.53399353  0.67982115  0.90736337
   0.71626061  0.84439001  0.57363109
   0.52875543  0.83265302  0.41609754
   0.89514256  0.25207006  0.07076339
   0.95842629  0.37285437  0.37201567
   0.35113323  0.12414367  0.61411350
   0.24772711  0.79967750  0.79071916
   0.11158669  1.10503053  0.21546375
   0.23541879  1.07157969  0.01572352
   0.64008982  0.37864870  0.83852528
   0.90068987  0.45543629  0.62626705
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844588    0.157636   -0.094412
    -0.000000    9.859379   -0.214042
    -0.000000    0.000000   14.067162
   Si   O    H 
    32    64    10
Direct configuration=  1660
   0.17755824  0.19489504 -0.03393317
   0.38035399  0.09127451  0.37488540
   0.14441462  0.41219233  0.12273118
   0.38595526  0.33765270  0.25553897
   0.09760036  0.15580509  0.47936823
   0.43126858  0.15630946  0.84573118
   0.12283414  0.42120356  0.63287823
   0.38001783  0.39924580  0.75402177
   0.13545135  0.68253919  0.01364199
   0.39640356  0.57621147  0.35292834
   0.06394581  0.91438234  0.15545383
   0.34374669  0.83517312  0.24818877
   0.18137646  0.66014856  0.49058876
   0.37730520  0.65034299  0.88002780
   0.06160996  0.91324118  0.59930844
   0.34378089  1.00477149  0.67866191
   0.65050491  0.14373713  1.00415741
   0.85765057  0.13405646  0.35231213
   0.61943319  0.42532393  0.12700460
   0.88298475  0.30752940  0.17237743
   0.61997445  0.17740146  0.51069872
   0.90446988  0.11627981  0.87272181
   0.59030657  0.45529285  0.61354819
   0.77076883  0.36916072  0.78862526
   0.62847704  0.67314264  0.00304288
   0.90486532  0.60024972  0.38269702
   0.58340050  0.91852671  0.14047234
   0.83033857  0.85114025  0.26710549
   0.64260886  0.66208909  0.46475240
   0.88289682  0.62775134  0.89555493
   0.62304808  0.92366671  0.63221463
   0.84151081  0.85605542  0.74836612
   0.08656035  0.07424067  0.14346314
   0.37737003  0.17409542  0.26991216
   0.13505295  0.33271564  0.02398526
   0.35798027  0.41676913  0.35244653
   0.53605744  0.38578862  0.22031278
   0.28943275  0.38692826  0.16951319
   0.24609235  0.11836436  0.43977089
   0.01399894  0.18574185  0.38160753
   0.00731692  0.03289984  0.52749228
   0.47367346  0.25718623  0.75895406
   0.11920658  0.28897287  0.55106361
   0.36469260  0.48946606  0.85743369
   0.46278126  0.47749314  0.67769828
   0.22529933  0.37415176  0.71777339
   0.31065725  0.22830256 -0.10134167
   0.04459030  0.17615109  0.89858781
   0.12906869  0.57411349  0.10090608
   0.36002648  0.66832376  0.26529557
   0.09684895  0.83783255  0.04902525
   0.39556555  0.92572994  0.34127720
   0.41695012  0.90405228  0.16236589
   0.17940080  0.85304162  0.22586128
   0.33754767  0.65659926  0.45049802
   0.06949789  0.61804840  0.40970633
   0.18394251  0.54257630  0.56948148
   0.32756856  0.74111248  0.78463082
   0.14433229  0.80423789  0.53385515
   0.36281303  1.02857596  0.79027789
   0.46078807  0.88642799  0.64216174
   0.18446065  0.96099347  0.67729806
   0.27814642  0.67290373 -0.03079188
   0.02976134  0.64753898  0.92603002
   0.60448725  0.08178390  0.10662611
   0.82546443  0.19241228  0.24638202
   0.61291215  0.30911645  0.03914481
   0.88749024  0.44363655  0.35428667
   0.04148266  0.33809821  0.19922916
   0.78291904  0.43321199  0.16081345
   0.74608283  0.17894400  0.43681887
   0.50427163  0.11380003  0.44698875
   0.64962502  0.07101906  0.59471728
   0.82162695  0.20170556  0.79024805
   0.57507415  0.32932368  0.53690159
   0.87665855  0.47290956  0.84434645
   0.97789697  0.46180322  0.67311837
   0.72230294  0.43676676  0.68662553
   0.80513720  0.11266741  0.96453413
   0.56261908  0.11233777  0.90466983
   0.56238368  0.57317357  0.08151619
   0.86561153  0.69322461  0.29466052
   0.61266340  0.82642454  0.05220082
   0.87048026  0.96452437  0.34897821
   0.91158708  0.86395158  0.16657106
   0.67347745  0.88834486  0.23567116
   0.80467370  0.63317564  0.47290890
   0.56179457  0.57167997  0.38597376
   0.60408684  0.59071389  0.56020081
   0.82418188  0.71433152  0.80682579
   0.62226631  0.81961339  0.44439068
   0.90165166  0.96805685  0.82581248
   0.94589867  0.84043683  0.65593185
   0.69423237  0.92018606  0.73432065
   0.79022640  0.63647632  0.98834143
   0.53614444  0.67912236  0.90727999
   0.72098713  0.84356957  0.56990391
   0.52647479  0.83027774  0.41001276
   0.89123540  0.25592494  0.06918861
   0.96259706  0.36986805  0.37153244
   0.35555161  0.12859468  0.60754603
   0.25423514  0.79750803  0.79144385
   0.11035810  1.10174091  0.21716971
   0.24101843  1.07726619  0.01467982
   0.64906633  0.38580081  0.84463879
   0.90361632  0.46510911  0.62533403
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844199    0.158775   -0.092992
    -0.000000    9.860713   -0.213870
    -0.000000    0.000000   14.068872
   Si   O    H 
    32    64    10
Direct configuration=  1661
   0.17575089  0.19424273 -0.03486118
   0.37853147  0.09215485  0.37456626
   0.14395709  0.41121572  0.12386312
   0.38520144  0.33653751  0.25628180
   0.09618381  0.15577987  0.48025062
   0.43191809  0.15704971  0.84685557
   0.12361158  0.42148636  0.63253365
   0.38013817  0.39985700  0.75448266
   0.13497366  0.68402517  0.01451437
   0.39580962  0.57645903  0.35316833
   0.06300784  0.91274037  0.15448524
   0.34425721  0.83454205  0.24909112
   0.18015169  0.66037633  0.49019064
   0.37718537  0.64937285  0.87986981
   0.06109014  0.91355666  0.59907341
   0.34292317  1.00741120  0.67905387
   0.65128655  0.14335568  1.00440202
   0.85758011  0.13298308  0.35216773
   0.61923715  0.42651342  0.12738442
   0.88327315  0.30702579  0.17197583
   0.61995869  0.17703099  0.50958443
   0.90500041  0.11652691  0.87192410
   0.59052760  0.45409449  0.61365565
   0.77088684  0.36762270  0.78871977
   0.62818513  0.67308028  0.00333956
   0.90559850  0.60128063  0.38252038
   0.58335171  0.91878132  0.14016920
   0.82909633  0.85191903  0.26814104
   0.64214347  0.66162731  0.46502298
   0.88169691  0.62834111  0.89574562
   0.62367823  0.92507057  0.63309961
   0.84053298  0.85760831  0.74848129
   0.08546025  0.07589118  0.14486518
   0.37874694  0.17477201  0.26794082
   0.13406643  0.33353116  0.02358355
   0.35872011  0.41775357  0.35161402
   0.53523959  0.38573194  0.21994669
   0.29036605  0.38640246  0.16979741
   0.24614761  0.11717128  0.44017429
   0.01564145  0.18570825  0.38163240
   0.00786306  0.03351032  0.52747190
   0.47397081  0.25797301  0.75929517
   0.11956936  0.28989880  0.55276653
   0.36531059  0.48998217  0.85581385
   0.46286340  0.48002867  0.67830799
   0.22623221  0.37362972  0.71683932
   0.30929752  0.23054765 -0.10128406
   0.04545375  0.17607369  0.89908216
   0.12875774  0.57478389  0.10010330
   0.36044236  0.66924937  0.26406321
   0.09765764  0.83654155  0.04774174
   0.39514939  0.92602632  0.34117821
   0.41814995  0.90511715  0.16233324
   0.17864625  0.85253089  0.22529479
   0.33713587  0.65573582  0.44988063
   0.06776691  0.61846492  0.41037002
   0.18435953  0.54422542  0.56959641
   0.32881524  0.74096085  0.78567076
   0.14388833  0.80357819  0.53371812
   0.36284831  1.02868950  0.79173802
   0.46029215  0.88617640  0.64260911
   0.18401829  0.96169840  0.67578852
   0.27885544  0.67548010 -0.03054547
   0.03096026  0.64650738  0.92566223
   0.60499373  0.08180052  0.10722746
   0.82401669  0.19305760  0.24737340
   0.61474797  0.30851902  0.03877310
   0.88736862  0.44209533  0.35443408
   0.04112634  0.33910173  0.19897724
   0.78173211  0.43398006  0.16012617
   0.74662592  0.17733256  0.43666729
   0.50463099  0.11362661  0.44643473
   0.65107123  0.07132708  0.59284863
   0.82192151  0.20138024  0.79108724
   0.57305820  0.33030019  0.53503499
   0.87451410  0.47202303  0.84408870
   0.97636557  0.46423519  0.67327212
   0.72300020  0.43770550  0.68564513
   0.80607884  0.11313122  0.96489741
   0.56251111  0.11229714  0.90446349
   0.56529633  0.57319729  0.08115822
   0.86466681  0.69380967  0.29330368
   0.61131943  0.82675911  0.05184266
   0.86972959  0.96395499  0.34865150
   0.91253628  0.86446151  0.16577111
   0.67390065  0.88701853  0.23524240
   0.80385798  0.63370683  0.47337570
   0.56249251  0.57257989  0.38639599
   0.60390327  0.59241017  0.56059385
   0.82399427  0.71384952  0.80584712
   0.62227775  0.82047106  0.44579362
   0.90323715  0.97056222  0.82387023
   0.94717108  0.84102371  0.65681003
   0.69402091  0.92284509  0.73412190
   0.79141032  0.63447686  0.98876573
   0.53817885  0.67823843  0.90680426
   0.72596531  0.83893188  0.56832163
   0.53160569  0.82873182  0.40777904
   0.88435349  0.26261147  0.07079170
   0.95811126  0.37628679  0.36802125
   0.36230155  0.12482101  0.60453050
   0.25003133  0.80547953  0.79176321
   0.11041439  1.10023311  0.20892233
   0.24078158  1.08371648  0.01509370
   0.65875416  0.38949796  0.85219664
   0.91095209  0.47334173  0.62560957
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843712    0.160151   -0.091874
    -0.000000    9.861911   -0.213850
    -0.000000    0.000000   14.070639
   Si   O    H 
    32    64    10
Direct configuration=  1662
   0.17399922  0.19355489 -0.03531716
   0.37750646  0.09289439  0.37461994
   0.14379690  0.41048660  0.12491945
   0.38427740  0.33561895  0.25692268
   0.09492134  0.15567069  0.48084313
   0.43244985  0.15755925  0.84793020
   0.12368622  0.42161200  0.63206217
   0.38015483  0.40049292  0.75512440
   0.13414679  0.68579546  0.01529222
   0.39600219  0.57680969  0.35347540
   0.06293813  0.91100954  0.15311643
   0.34461653  0.83459729  0.24989186
   0.17868914  0.66012895  0.48983939
   0.37709460  0.64898177  0.87898250
   0.06099239  0.91382467  0.59895648
   0.34207018  1.00934309  0.67939724
   0.65168479  0.14316990  1.00482777
   0.85773411  0.13200017  0.35237815
   0.61905524  0.42792448  0.12759508
   0.88323878  0.30570888  0.17155573
   0.62060991  0.17690878  0.50851548
   0.90529948  0.11628319  0.87111889
   0.59076686  0.45359867  0.61365692
   0.77101594  0.36631829  0.78893001
   0.62785617  0.67291733  0.00319923
   0.90623296  0.60205238  0.38250954
   0.58287377  0.91879213  0.13994316
   0.82873745  0.85231912  0.26860810
   0.64131115  0.66083110  0.46514471
   0.88055269  0.62865813  0.89568277
   0.62414427  0.92616372  0.63410276
   0.84006449  0.85933259  0.74902302
   0.08407600  0.07703279  0.14592083
   0.38042174  0.17532356  0.26650235
   0.13325100  0.33452441  0.02390902
   0.35817138  0.41943284  0.35122387
   0.53496841  0.38579906  0.21954396
   0.29183699  0.38614896  0.17094515
   0.24628406  0.11627826  0.44070182
   0.01733616  0.18443614  0.38172947
   0.00848867  0.03379022  0.52746345
   0.47372383  0.25837623  0.76008720
   0.11963461  0.29056885  0.55440294
   0.36656772  0.49066018  0.85396251
   0.46263295  0.48300871  0.67905221
   0.22630114  0.37264666  0.71598282
   0.30814622  0.23267532 -0.10095646
   0.04610978  0.17605602  0.89929126
   0.12861954  0.57550239  0.09983112
   0.36110525  0.67061594  0.26291765
   0.09841855  0.83519649  0.04660424
   0.39499573  0.92665193  0.34149703
   0.41921339  0.90631070  0.16221894
   0.17870227  0.85182939  0.22486268
   0.33629071  0.65518509  0.44869965
   0.06549991  0.61830330  0.41132044
   0.18531037  0.54532009  0.57001414
   0.32978130  0.74030895  0.78658679
   0.14432748  0.80401468  0.53352131
   0.36273264  1.02861131  0.79307531
   0.45979420  0.88618244  0.64291994
   0.18406651  0.96253613  0.67460813
   0.27918546  0.67772142 -0.03051254
   0.03318244  0.64579225  0.92552624
   0.60513076  0.08092962  0.10749213
   0.82352589  0.19464491  0.24857260
   0.61650375  0.30801288  0.03866562
   0.88731946  0.44129073  0.35472524
   0.04038192  0.34069468  0.19905657
   0.78040018  0.43537199  0.15932654
   0.74712714  0.17551055  0.43615203
   0.50460783  0.11292890  0.44570535
   0.65311304  0.07213142  0.59114000
   0.82221840  0.20140818  0.79155029
   0.57127283  0.33107361  0.53371653
   0.87265870  0.47112177  0.84396201
   0.97470207  0.46601686  0.67367304
   0.72397827  0.43809361  0.68446716
   0.80768118  0.11378288  0.96476706
   0.56267725  0.11111604  0.90508376
   0.56782378  0.57300230  0.08056273
   0.86352014  0.69350510  0.29197357
   0.61120434  0.82661622  0.05145620
   0.86910873  0.96351949  0.34820532
   0.91311459  0.86476707  0.16600511
   0.67380959  0.88550939  0.23507829
   0.80315780  0.63444885  0.47361686
   0.56373928  0.57262414  0.38698907
   0.60401078  0.59368490  0.56097528
   0.82392916  0.71402065  0.80435271
   0.62165737  0.82178972  0.44702346
   0.90491730  0.97214632  0.82237355
   0.94812967  0.84080733  0.65834827
   0.69363224  0.92476190  0.73424861
   0.79224947  0.63324190  0.98932805
   0.53939898  0.67784156  0.90626590
   0.72695504  0.83810109  0.57015884
   0.54162631  0.83123476  0.40787821
   0.88372380  0.26308194  0.07560923
   0.95313088  0.38136288  0.36283464
   0.36801722  0.11503204  0.60309870
   0.24823023  0.80881135  0.79122557
   0.10893170  1.10549102  0.20321623
   0.24078686  1.08933689  0.01612118
   0.66599683  0.39126159  0.85828392
   0.91171737  0.48151813  0.61943403
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842919    0.161695   -0.090623
    -0.000000    9.862724   -0.213795
    -0.000000    0.000000   14.072638
   Si   O    H 
    32    64    10
Direct configuration=  1663
   0.17239619  0.19289823 -0.03574303
   0.37680571  0.09316858  0.37464150
   0.14377419  0.40972896  0.12607275
   0.38347126  0.33467002  0.25739521
   0.09408488  0.15614872  0.48128276
   0.43302717  0.15800585  0.84855783
   0.12435107  0.42159124  0.63155074
   0.38061652  0.40086835  0.75604924
   0.13298286  0.68708411  0.01567494
   0.39615596  0.57735821  0.35399607
   0.06342338  0.90890927  0.15157613
   0.34456593  0.83515272  0.25106996
   0.17817594  0.65964092  0.48968835
   0.37629135  0.64882537  0.87797901
   0.06107432  0.91435618  0.59897247
   0.34140220  1.01131588  0.67960070
   0.65198989  0.14359388  1.00527877
   0.85750624  0.13096744  0.35328334
   0.61929513  0.42964826  0.12829158
   0.88325611  0.30496205  0.17148070
   0.62125343  0.17672755  0.50766930
   0.90494358  0.11578086  0.87094391
   0.59064822  0.45275334  0.61381717
   0.77075772  0.36574956  0.78968174
   0.62725151  0.67322649  0.00327743
   0.90666561  0.60273400  0.38276383
   0.58275531  0.91956428  0.13970777
   0.82862447  0.85285519  0.26903101
   0.64062710  0.66021046  0.46516851
   0.87890923  0.62915577  0.89571113
   0.62415009  0.92651887  0.63524139
   0.84015643  0.86054044  0.74944819
   0.08178053  0.07726733  0.14631143
   0.38164610  0.17532130  0.26502010
   0.13357710  0.33478461  0.02401626
   0.35695586  0.42027387  0.35124264
   0.53478721  0.38595317  0.21919599
   0.29300993  0.38620984  0.17211302
   0.24657941  0.11570324  0.44105530
   0.01981614  0.18309117  0.38129141
   0.00927050  0.03345176  0.52816008
   0.47388429  0.25895510  0.76095207
   0.11973553  0.29148965  0.55591819
   0.36776626  0.49105157  0.85210322
   0.46288654  0.48594390  0.68016890
   0.22637725  0.37129793  0.71519929
   0.30642393  0.23540615 -0.09992539
   0.04700680  0.17524743  0.89978801
   0.12837998  0.57602730  0.10015233
   0.36162438  0.67151960  0.26183865
   0.09965641  0.83419183  0.04514215
   0.39478890  0.92774242  0.34190392
   0.42077226  0.90797648  0.16226443
   0.17872620  0.85148149  0.22524994
   0.33536093  0.65507231  0.44776102
   0.06299108  0.61789748  0.41214563
   0.18616423  0.54601136  0.57085511
   0.33020641  0.73988262  0.78759569
   0.14549137  0.80527798  0.53355869
   0.36325015  1.02845220  0.79478928
   0.45973215  0.88619393  0.64329595
   0.18294393  0.96310982  0.67332136
   0.27928327  0.67944350 -0.03018881
   0.03501480  0.64538105  0.92573010
   0.60533531  0.08034611  0.10770113
   0.82340693  0.19599508  0.24951910
   0.61807445  0.30734691  0.03850553
   0.88544760  0.44173442  0.35454556
   0.03996417  0.34284920  0.19929468
   0.77953630  0.43658812  0.15885177
   0.74833247  0.17347441  0.43586751
   0.50461253  0.11125651  0.44471505
   0.65528627  0.07282361  0.58894882
   0.82265554  0.20109397  0.79218262
   0.57007169  0.33129264  0.53279114
   0.87094378  0.47051672  0.84413498
   0.97334788  0.46775689  0.67365766
   0.72480244  0.43854884  0.68361642
   0.80909836  0.11369586  0.96507087
   0.56220844  0.10958441  0.90610953
   0.57097381  0.57221443  0.08025915
   0.86307070  0.69357751  0.29109003
   0.61109355  0.82610536  0.05144237
   0.86855504  0.96286296  0.34828758
   0.91372377  0.86530107  0.16673855
   0.67382869  0.88445103  0.23477449
   0.80329117  0.63510946  0.47320580
   0.56434586  0.57255240  0.38724062
   0.60403676  0.59512026  0.56157493
   0.82404266  0.71520888  0.80299405
   0.62090078  0.82338041  0.44793158
   0.90769012  0.97262574  0.82149996
   0.94834048  0.84114656  0.65973835
   0.69269987  0.92686605  0.73444658
   0.79246408  0.63242649  0.99044658
   0.54031308  0.67762359  0.90575717
   0.72310178  0.83637549  0.57748568
   0.54713550  0.83838905  0.40640424
   0.88600931  0.26163499  0.07799602
   0.96693052  0.37254882  0.35721653
   0.37108973  0.10459371  0.60597809
   0.25760277  0.80081638  0.78917230
   0.11322716  1.11772842  0.21425972
   0.24287661  1.09200618  0.01603623
   0.66517105  0.39271968  0.86272334
   0.91313292  0.49013022  0.61524141
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841715    0.163343   -0.089941
    -0.000000    9.863889   -0.213708
    -0.000000    0.000000   14.074073
   Si   O    H 
    32    64    10
Direct configuration=  1664
   0.17146355  0.19273974 -0.03605193
   0.37642498  0.09373833  0.37455768
   0.14408906  0.40960792  0.12708614
   0.38332095  0.33403202  0.25769241
   0.09409489  0.15662002  0.48169703
   0.43348041  0.15855675  0.84884933
   0.12489762  0.42135404  0.63115571
   0.38125028  0.40134016  0.75660350
   0.13217256  0.68779693  0.01596400
   0.39645851  0.57791920  0.35454636
   0.06460761  0.90713289  0.15041081
   0.34421580  0.83575397  0.25181751
   0.17736021  0.65869229  0.48958174
   0.37607753  0.64908265  0.87746304
   0.06185317  0.91437756  0.59895176
   0.34101202  1.01310379  0.67948627
   0.65268286  0.14331619  1.00571630
   0.85700080  0.13022632  0.35382599
   0.61934782  0.43131721  0.12861230
   0.88259686  0.30461480  0.17143130
   0.62225465  0.17712258  0.50692627
   0.90452844  0.11518272  0.87097077
   0.59090028  0.45233651  0.61378009
   0.77059809  0.36523334  0.79037076
   0.62774557  0.67357295  0.00335634
   0.90683232  0.60285848  0.38287201
   0.58231989  0.92020211  0.13936778
   0.82863593  0.85339130  0.26924990
   0.64032372  0.65962732  0.46555394
   0.87720205  0.62918591  0.89558386
   0.62419798  0.92658177  0.63575127
   0.84001535  0.86120987  0.74987236
   0.07935188  0.07731513  0.14715353
   0.38195709  0.17500912  0.26419689
   0.13401074  0.33561735  0.02422061
   0.35574912  0.42087069  0.35155627
   0.53469951  0.38572467  0.21856681
   0.29350522  0.38692086  0.17308545
   0.24544766  0.11475915  0.44124077
   0.02127611  0.18185491  0.38066218
   0.01009457  0.03263886  0.52847347
   0.47334535  0.25961939  0.76219168
   0.11974927  0.29223284  0.55685858
   0.36875043  0.49114621  0.85010930
   0.46253683  0.48897506  0.68136381
   0.22711044  0.36945675  0.71441044
   0.30501719  0.23804623 -0.09903306
   0.04724288  0.17407482  0.89952927
   0.12834099  0.57629422  0.10068919
   0.36202440  0.67241162  0.26076692
   0.10013490  0.83431559  0.04411063
   0.39406237  0.92926599  0.34207391
   0.42249152  0.90876506  0.16263098
   0.17900291  0.85154784  0.22555946
   0.33450392  0.65544673  0.44706106
   0.06149825  0.61818466  0.41268862
   0.18741272  0.54666004  0.57233447
   0.33135714  0.73889117  0.78845286
   0.14710163  0.80650307  0.53348719
   0.36407830  1.02816761  0.79570951
   0.45896594  0.88689323  0.64377525
   0.18258691  0.96292701  0.67195150
   0.27946718  0.67988701 -0.03044950
   0.03755705  0.64489183  0.92620132
   0.60600188  0.07902433  0.10833004
   0.82392012  0.19687717  0.25065261
   0.61916474  0.30747219  0.03833949
   0.88404724  0.44154413  0.35414199
   0.03852333  0.34574385  0.19922393
   0.77874848  0.43822959  0.15869157
   0.75058142  0.17202054  0.43499769
   0.50408572  0.11017025  0.44397911
   0.65737463  0.07300378  0.58733563
   0.82269671  0.20222181  0.79242584
   0.56848977  0.33097639  0.53260248
   0.86966486  0.47054102  0.84455817
   0.97236937  0.47064037  0.67362178
   0.72495517  0.43832135  0.68311619
   0.80990506  0.11358510  0.96524167
   0.56127203  0.10780583  0.90729408
   0.57373511  0.57058958  0.08052651
   0.86207883  0.69348158  0.29040610
   0.61126680  0.82463093  0.05108544
   0.86750142  0.96263458  0.34857453
   0.91429094  0.86470262  0.16752362
   0.67283686  0.88336948  0.23458606
   0.80404002  0.63592750  0.47270811
   0.56491965  0.57286214  0.38637529
   0.60461197  0.59678338  0.56274922
   0.82445495  0.71629874  0.80122990
   0.62075340  0.82440417  0.44875894
   0.91010014  0.97293587  0.82019584
   0.94817739  0.84103098  0.66086865
   0.69101335  0.92856128  0.73512260
   0.79212910  0.63127656  0.99124145
   0.54040954  0.67795621  0.90524790
   0.71557413  0.83456711  0.58379086
   0.54456960  0.84941646  0.39850894
   0.88991734  0.25757837  0.07410402
   0.97090373  0.36787831  0.35211595
   0.37088532  0.09643556  0.60919908
   0.25959646  0.79625000  0.78561558
   0.11190273  1.12915197  0.21655319
   0.24404751  1.08802111  0.01737897
   0.66163402  0.39023374  0.86463064
   0.91978600  0.49813291  0.61789668
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840649    0.164616   -0.088922
    -0.000000    9.865070   -0.213539
    -0.000000    0.000000   14.075573
   Si   O    H 
    32    64    10
Direct configuration=  1665
   0.17116690  0.19242145 -0.03644935
   0.37584323  0.09370284  0.37429194
   0.14443443  0.40941769  0.12791796
   0.38327186  0.33407905  0.25751484
   0.09454684  0.15716349  0.48242661
   0.43357879  0.15970183  0.84920450
   0.12588614  0.42106574  0.63091611
   0.38170053  0.40170830  0.75707690
   0.13146197  0.68758513  0.01561149
   0.39733237  0.57836906  0.35544366
   0.06653076  0.90517414  0.14906551
   0.34366655  0.83633547  0.25239404
   0.17646319  0.65746421  0.48977015
   0.37602728  0.64944934  0.87677262
   0.06317821  0.91445517  0.59872389
   0.34093572  1.01492262  0.67989048
   0.65345880  0.14338361  1.00644727
   0.85684451  0.12937535  0.35407616
   0.61987357  0.43234160  0.12879468
   0.88177684  0.30428396  0.17107713
   0.62388746  0.17740330  0.50642650
   0.90415352  0.11507838  0.87089458
   0.59151489  0.45174978  0.61403340
   0.77041325  0.36493387  0.79142950
   0.62800628  0.67389445  0.00318588
   0.90734188  0.60285190  0.38313265
   0.58253178  0.92056076  0.13933486
   0.82859716  0.85415329  0.26923039
   0.63946102  0.65998289  0.46625086
   0.87606331  0.62857043  0.89462861
   0.62436718  0.92653143  0.63586210
   0.84007821  0.86176132  0.75068660
   0.07822149  0.07749330  0.14833048
   0.38240354  0.17417560  0.26429192
   0.13412387  0.33523502  0.02455265
   0.35396315  0.42218121  0.35206422
   0.53382350  0.38533888  0.21824660
   0.29344980  0.38740569  0.17412579
   0.24411022  0.11383413  0.44130882
   0.02167532  0.18170489  0.38013460
   0.01099548  0.03191844  0.52903839
   0.47312493  0.26071633  0.76374699
   0.11962298  0.29179949  0.55727170
   0.36966911  0.49106877  0.84828852
   0.46173154  0.49271174  0.68211778
   0.22829364  0.36823817  0.71359285
   0.30456073  0.24049833 -0.09913630
   0.04732926  0.17178545  0.89908237
   0.12851541  0.57556507  0.10166507
   0.36316751  0.67351212  0.25976291
   0.10112917  0.83593050  0.04370461
   0.39347877  0.93096365  0.34289099
   0.42373208  0.91013196  0.16334070
   0.17909592  0.85120943  0.22636316
   0.33226261  0.65654627  0.44639376
   0.05986683  0.61843202  0.41351383
   0.18853204  0.54702353  0.57327924
   0.33219283  0.73710348  0.78913378
   0.14802551  0.80821203  0.53326986
   0.36500319  1.02903255  0.79644711
   0.45761473  0.88851322  0.64404839
   0.18236338  0.96250765  0.67079084
   0.28016479  0.68032604 -0.03058842
   0.03970615  0.64471747  0.92692749
   0.60615683  0.07710985  0.10938801
   0.82442201  0.19784525  0.25117346
   0.61938942  0.30718998  0.03792826
   0.88294516  0.44102938  0.35340323
   0.03716221  0.34807323  0.19966900
   0.77829526  0.43943545  0.15865851
   0.75296074  0.17123014  0.43435831
   0.50285760  0.10941704  0.44358327
   0.65907722  0.07313189  0.58618673
   0.82220560  0.20403553  0.79240541
   0.56721092  0.33162928  0.53290606
   0.86941553  0.47096610  0.84504364
   0.97201593  0.47315368  0.67308102
   0.72403908  0.43766080  0.68295058
   0.81035017  0.11347234  0.96569079
   0.56038380  0.10589323  0.90943346
   0.57558157  0.56828141  0.08072349
   0.86101799  0.69364391  0.29014827
   0.61186195  0.82299604  0.05058691
   0.86629951  0.96249625  0.34846093
   0.91436798  0.86410264  0.16805118
   0.67189363  0.88216888  0.23465658
   0.80529921  0.63675763  0.47210252
   0.56519100  0.57425700  0.38446309
   0.60493276  0.59854867  0.56391706
   0.82518715  0.71735642  0.80027258
   0.61952940  0.82492746  0.44946123
   0.91289273  0.97239014  0.81913225
   0.94772344  0.84142758  0.66197463
   0.68919772  0.93114034  0.73671724
   0.79139871  0.63009057  0.99256456
   0.53983186  0.67912149  0.90417840
   0.70723033  0.83120594  0.59009029
   0.54738498  0.86000437  0.39558371
   0.89178201  0.25456650  0.06890441
   0.96176435  0.37727490  0.34707762
   0.37341362  0.09913711  0.60519387
   0.25165478  0.79900311  0.78202348
   0.10898016  1.13204768  0.21022902
   0.24670714  1.08550337  0.02147347
   0.65909308  0.38682507  0.86688049
   0.92395067  0.50585895  0.62199537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839477    0.165903   -0.088112
    -0.000000    9.866154   -0.213071
    -0.000000    0.000000   14.076574
   Si   O    H 
    32    64    10
Direct configuration=  1666
   0.17125864  0.19286249 -0.03693102
   0.37516343  0.09378442  0.37400414
   0.14542365  0.40908716  0.12868743
   0.38314995  0.33533942  0.25750292
   0.09460780  0.15775656  0.48329313
   0.43335359  0.16023591  0.84980735
   0.12668436  0.42046224  0.63071647
   0.38175243  0.40135008  0.75700789
   0.13100319  0.68619029  0.01494459
   0.39792639  0.57876650  0.35635799
   0.06821489  0.90312424  0.14717873
   0.34314331  0.83695795  0.25251279
   0.17574887  0.65633649  0.48989494
   0.37593521  0.64966473  0.87653764
   0.06430771  0.91425781  0.59887476
   0.34100247  1.01612497  0.67998332
   0.65373925  0.14370682  1.00704201
   0.85677659  0.12834001  0.35401043
   0.62061551  0.43225192  0.12846430
   0.88107537  0.30385261  0.17093868
   0.62550261  0.17759327  0.50573394
   0.90341089  0.11536161  0.87063228
   0.59243770  0.45122238  0.61414091
   0.77036710  0.36507827  0.79250287
   0.62808604  0.67429006  0.00304542
   0.90742305  0.60266788  0.38307560
   0.58330010  0.92055609  0.13934643
   0.82851260  0.85430102  0.26890351
   0.63884269  0.66053085  0.46711686
   0.87583176  0.62797477  0.89327592
   0.62413660  0.92612586  0.63548929
   0.84048210  0.86213517  0.75151374
   0.07752321  0.07735673  0.14988852
   0.38243978  0.17357165  0.26542541
   0.13371613  0.33461637  0.02496315
   0.35175558  0.42389149  0.35219662
   0.53318857  0.38481886  0.21790561
   0.29262278  0.38879537  0.17479925
   0.24241521  0.11353332  0.44139876
   0.02218829  0.18199999  0.37988865
   0.01122151  0.03105663  0.52990849
   0.47272229  0.26199600  0.76462582
   0.11947657  0.29133020  0.55694420
   0.36998641  0.49141398  0.84643809
   0.46089436  0.49631369  0.68233242
   0.22976588  0.36653142  0.71343525
   0.30394826  0.24326504 -0.09907290
   0.04665099  0.16990655  0.89824312
   0.12844689  0.57491610  0.10295828
   0.36506962  0.67394119  0.25944006
   0.10178378  0.83783518  0.04386255
   0.39333858  0.93252496  0.34302948
   0.42429516  0.91067372  0.16375017
   0.17873201  0.85098987  0.22674310
   0.33019666  0.65629959  0.44564715
   0.05884557  0.61818278  0.41474591
   0.18932463  0.54728068  0.57435720
   0.33219766  0.73553470  0.78866914
   0.14862660  0.80977264  0.53266220
   0.36612475  1.03007378  0.79675815
   0.45644012  0.89050322  0.64408225
   0.18258753  0.96221142  0.66969700
   0.28168035  0.68099074 -0.03018751
   0.04057206  0.64498341  0.92721544
   0.60663346  0.07577698  0.11032671
   0.82486139  0.19836745  0.25097961
   0.61930505  0.30733731  0.03718092
   0.88267669  0.44056096  0.35261984
   0.03552091  0.34995872  0.20002249
   0.77825543  0.44035027  0.15856219
   0.75462083  0.17075012  0.43350912
   0.50184484  0.10951019  0.44276077
   0.66003024  0.07327852  0.58528419
   0.82193253  0.20610122  0.79163692
   0.56661407  0.33149013  0.53346317
   0.87002525  0.47175303  0.84633778
   0.97266371  0.47482068  0.67287356
   0.72337769  0.43642740  0.68335916
   0.80993042  0.11313597  0.96668848
   0.56019191  0.10393211  0.91147041
   0.57639235  0.56642376  0.08067144
   0.86061593  0.69345201  0.28984787
   0.61228977  0.82152352  0.04976023
   0.86482991  0.96249405  0.34845831
   0.91446841  0.86422151  0.16856998
   0.67157467  0.88089431  0.23435454
   0.80697067  0.63744245  0.47100915
   0.56370168  0.57525732  0.38163462
   0.60471701  0.60045582  0.56542965
   0.82537380  0.71846199  0.80016630
   0.61857302  0.82574208  0.44979405
   0.91570053  0.97167857  0.81834462
   0.94669231  0.84163394  0.66238786
   0.68869132  0.93337035  0.73876142
   0.79029128  0.62980582  0.99342430
   0.53960999  0.67986601  0.90343350
   0.70155817  0.82352470  0.59256373
   0.55739718  0.86534919  0.39820643
   0.89178536  0.25095485  0.06559505
   0.95047595  0.38769969  0.34358906
   0.37327735  0.10784087  0.59739341
   0.24993708  0.79681868  0.78216761
   0.10588466  1.12631175  0.19684875
   0.24257747  1.08575236  0.02406020
   0.65578882  0.38114899  0.86395547
   0.91720151  0.51643990  0.61922323
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838275    0.167324   -0.087032
    -0.000000    9.867041   -0.212734
    -0.000000    0.000000   14.077435
   Si   O    H 
    32    64    10
Direct configuration=  1667
   0.17197855  0.19336388 -0.03729786
   0.37431790  0.09387757  0.37352783
   0.14567772  0.40908436  0.12896761
   0.38380040  0.33668448  0.25738773
   0.09530765  0.15843928  0.48433618
   0.43370591  0.16068933  0.85073640
   0.12772834  0.41987894  0.63057816
   0.38124224  0.40102949  0.75675285
   0.13108679  0.68426082  0.01393655
   0.39800174  0.57938058  0.35742018
   0.06981395  0.90138619  0.14531441
   0.34241247  0.83765379  0.25281154
   0.17566094  0.65581434  0.48978023
   0.37623566  0.65039908  0.87632862
   0.06591915  0.91399796  0.59919180
   0.34147375  1.01658933  0.67981186
   0.65377194  0.14393941  1.00740343
   0.85720442  0.12768442  0.35350357
   0.62129942  0.43111745  0.12779286
   0.88064165  0.30365551  0.17070183
   0.62713526  0.17744053  0.50499437
   0.90215179  0.11580025  0.87012241
   0.59352656  0.45113458  0.61443726
   0.77012336  0.36589325  0.79396169
   0.62723188  0.67435605  0.00265160
   0.90754231  0.60239438  0.38307706
   0.58295712  0.92087409  0.13926454
   0.82816505  0.85339948  0.26833121
   0.63844090  0.66130191  0.46767585
   0.87524443  0.62709126  0.89132420
   0.62392056  0.92621450  0.63503192
   0.84093266  0.86289072  0.75213454
   0.07674050  0.07545607  0.15080995
   0.38176548  0.17285900  0.26724727
   0.13389034  0.33347793  0.02537994
   0.34949612  0.42583221  0.35248474
   0.53314616  0.38460052  0.21737888
   0.29160816  0.38994471  0.17483259
   0.24112696  0.11335200  0.44174931
   0.02199350  0.18155373  0.37980090
   0.01176278  0.03063532  0.53051938
   0.47208596  0.26304139  0.76559121
   0.11938429  0.29087855  0.55622764
   0.36975406  0.49279441  0.84549669
   0.45915827  0.49969767  0.68204815
   0.23166552  0.36500197  0.71366834
   0.30355966  0.24634390 -0.09882871
   0.04601086  0.16873901  0.89712906
   0.12867516  0.57398347  0.10431874
   0.36636150  0.67474478  0.25979074
   0.10167225  0.84011849  0.04425899
   0.39323006  0.93442887  0.34327090
   0.42544867  0.91105843  0.16464172
   0.17912435  0.84991425  0.22693732
   0.32714745  0.65710060  0.44468125
   0.05850977  0.61794572  0.41600079
   0.18987996  0.54765300  0.57563147
   0.33151808  0.73456725  0.78757302
   0.14916147  0.81027050  0.53230506
   0.36760825  1.03064959  0.79670860
   0.45603708  0.89299692  0.64434836
   0.18283947  0.96230059  0.66946917
   0.28304618  0.68124599 -0.02942568
   0.04010807  0.64477993  0.92695760
   0.60707408  0.07405096  0.11039345
   0.82529989  0.19819823  0.25081230
   0.61893757  0.30750438  0.03690672
   0.88070863  0.44228295  0.35204444
   0.03371591  0.35244448  0.20048649
   0.77943721  0.44066874  0.15827573
   0.75623253  0.16952015  0.43300042
   0.50083367  0.11029870  0.44219348
   0.66166102  0.07308245  0.58499425
   0.82133396  0.20873761  0.79098930
   0.56631890  0.33090031  0.53439853
   0.87046321  0.47180993  0.84764634
   0.97371902  0.47573197  0.67198643
   0.72271855  0.43539548  0.68373642
   0.80925714  0.11347140  0.96763443
   0.55959320  0.10225700  0.91375215
   0.57694838  0.56472790  0.08049960
   0.86038898  0.69339824  0.28910714
   0.61187645  0.82012777  0.04895264
   0.86351817  0.96187720  0.34855152
   0.91469654  0.86528375  0.16928321
   0.67179414  0.87943821  0.23387698
   0.80818212  0.63747648  0.46955244
   0.56201468  0.57685016  0.37852495
   0.60450838  0.60140128  0.56685920
   0.82547435  0.71976529  0.80005541
   0.61658251  0.82673934  0.44984154
   0.91883249  0.97074858  0.81784792
   0.94500607  0.84156570  0.66242670
   0.68882939  0.93567610  0.74145691
   0.78868655  0.62941107  0.99343145
   0.53952955  0.68003928  0.90306534
   0.69950793  0.81303882  0.59068686
   0.56693157  0.86547225  0.40484028
   0.89085527  0.24913579  0.06942475
   0.96461887  0.37846759  0.33817663
   0.37050673  0.11470205  0.59478333
   0.25351087  0.78622501  0.78241485
   0.11760438  1.13489459  0.20154985
   0.23838714  1.08487698  0.02250731
   0.65421170  0.37200420  0.85908621
   0.91616117  0.52032098  0.62162369
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837659    0.168638   -0.085711
    -0.000000    9.868241   -0.212515
    -0.000000    0.000000   14.078304
   Si   O    H 
    32    64    10
Direct configuration=  1668
   0.17301591  0.19357312 -0.03764555
   0.37337436  0.09373380  0.37325348
   0.14601961  0.41006140  0.12872875
   0.38412099  0.33791104  0.25740524
   0.09554743  0.15894390  0.48512703
   0.43437760  0.16178480  0.85168056
   0.12894507  0.41951329  0.63071735
   0.37998492  0.40119869  0.75591425
   0.13181070  0.68205403  0.01283879
   0.39843297  0.58013748  0.35807584
   0.07156977  0.90018517  0.14375409
   0.34180789  0.83824464  0.25287942
   0.17520002  0.65550571  0.48965808
   0.37546675  0.65139275  0.87619256
   0.06773583  0.91369767  0.59954158
   0.34233581  1.01697477  0.67971888
   0.65333513  0.14487572  1.00792255
   0.85826574  0.12719817  0.35314022
   0.62122069  0.42941537  0.12720550
   0.87998719  0.30357289  0.17082424
   0.62839842  0.17662246  0.50450984
   0.90050979  0.11631009  0.86939156
   0.59397741  0.45044892  0.61517047
   0.76995076  0.36726593  0.79523390
   0.62636034  0.67452661  0.00244757
   0.90726391  0.60197048  0.38259246
   0.58319898  0.92093294  0.13938275
   0.82745126  0.85225333  0.26756105
   0.63827112  0.66274543  0.46794048
   0.87543939  0.62629555  0.88954369
   0.62293476  0.92664674  0.63493977
   0.84178288  0.86337582  0.75273311
   0.07605281  0.07423175  0.15171552
   0.38054094  0.17227879  0.26911761
   0.13511020  0.33217692  0.02603300
   0.34746007  0.42711735  0.35251189
   0.53307060  0.38432624  0.21665839
   0.29030019  0.39067606  0.17467048
   0.24083531  0.11297899  0.44210420
   0.02088854  0.18090367  0.37959382
   0.01196541  0.03118683  0.53182629
   0.47216169  0.26470582  0.76657256
   0.11912151  0.29025331  0.55502472
   0.36925811  0.49423760  0.84485459
   0.45800835  0.50215632  0.68178317
   0.23355627  0.36369906  0.71398065
   0.30348585  0.24879675 -0.09851847
   0.04470313  0.16777270  0.89594557
   0.12876535  0.57328735  0.10548017
   0.36815974  0.67428653  0.26125282
   0.10198856  0.84270037  0.04447613
   0.39328304  0.93600362  0.34373624
   0.42563291  0.91105650  0.16530150
   0.18011990  0.84891365  0.22717101
   0.32437770  0.65901031  0.44415287
   0.05825185  0.61751273  0.41659290
   0.19083825  0.54777866  0.57630122
   0.33230036  0.73291697  0.78662259
   0.14899347  0.80988044  0.53222404
   0.36881816  1.03160626  0.79637668
   0.45543776  0.89557041  0.64483811
   0.18306796  0.96369865  0.66981963
   0.28417200  0.68117204 -0.02822542
   0.03837369  0.64418094  0.92581826
   0.60783293  0.07299762  0.11039555
   0.82558736  0.19837876  0.25081509
   0.61851617  0.30758627  0.03681253
   0.87915706  0.44426423  0.35166047
   0.03224448  0.35500122  0.20062565
   0.78105212  0.44055073  0.15807138
   0.75733858  0.16865204  0.43253420
   0.49976456  0.11255524  0.44167542
   0.66228705  0.07256117  0.58461118
   0.82032387  0.21106449  0.79047329
   0.56643658  0.32992679  0.53549779
   0.87159022  0.47193450  0.84902691
   0.97513854  0.47653682  0.67022803
   0.72285102  0.43350906  0.68445534
   0.80887644  0.11356383  0.96845843
   0.55877991  0.09930258  0.91652759
   0.57663964  0.56350943  0.08045871
   0.86100904  0.69349803  0.28862646
   0.61201331  0.81921434  0.04825222
   0.86224697  0.96159899  0.34868553
   0.91442876  0.86573131  0.16988358
   0.67139549  0.87707932  0.23296858
   0.80855915  0.63794868  0.46858829
   0.56120359  0.57769947  0.37664706
   0.60410820  0.60176701  0.56799802
   0.82563648  0.72042920  0.80094363
   0.61534725  0.82614833  0.45029986
   0.92150039  0.96993654  0.81772111
   0.94303688  0.84159700  0.66238206
   0.68944899  0.93738578  0.74372099
   0.78644267  0.62945240  0.99312064
   0.53900630  0.67997825  0.90254453
   0.69635763  0.80181776  0.59011451
   0.56464776  0.87075680  0.40189240
   0.88618325  0.24876826  0.07560697
   0.97044358  0.37983686  0.33598744
   0.36704185  0.12179458  0.59734294
   0.24955320  0.78441858  0.78027383
   0.13162596  1.14014690  0.20323494
   0.23191406  1.08463994  0.01698009
   0.65080333  0.36610529  0.85416037
   0.92087446  0.51986808  0.62704458
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836683    0.169939   -0.084194
    -0.000000    9.869604   -0.212644
    -0.000000    0.000000   14.079175
   Si   O    H 
    32    64    10
Direct configuration=  1669
   0.17371205  0.19364572 -0.03787822
   0.37220826  0.09386171  0.37283990
   0.14558573  0.41102059  0.12849736
   0.38467319  0.33895477  0.25774977
   0.09551561  0.15959916  0.48570214
   0.43447512  0.16282649  0.85261405
   0.13004487  0.41955585  0.63092464
   0.37889202  0.40155956  0.75489783
   0.13262971  0.67973541  0.01187032
   0.39927415  0.58082428  0.35876483
   0.07306993  0.89867555  0.14268274
   0.34151176  0.83907806  0.25249940
   0.17497074  0.65551087  0.49005658
   0.37564221  0.65295216  0.87599948
   0.06917088  0.91360714  0.59976312
   0.34348868  1.01735091  0.67948314
   0.65279906  0.14569495  1.00838397
   0.85959658  0.12706624  0.35227099
   0.62153055  0.42732922  0.12664409
   0.87876351  0.30380507  0.17067029
   0.62865530  0.17602187  0.50385369
   0.89828758  0.11686898  0.86857310
   0.59427257  0.44999075  0.61577249
   0.76970012  0.36903867  0.79598954
   0.62628771  0.67413498  0.00208951
   0.90697441  0.60138896  0.38198128
   0.58282741  0.92085818  0.13992625
   0.82681235  0.85113401  0.26651646
   0.63827004  0.66403870  0.46785533
   0.87621159  0.62553544  0.88811535
   0.62191409  0.92711933  0.63504881
   0.84250969  0.86376735  0.75282371
   0.07602808  0.07251519  0.15284123
   0.37914155  0.17199701  0.27132269
   0.13588548  0.33118580  0.02672610
   0.34526619  0.42816592  0.35218059
   0.53354911  0.38410161  0.21617502
   0.28891743  0.39156355  0.17458508
   0.24114323  0.11161750  0.44242203
   0.01998586  0.18085242  0.37936507
   0.01302898  0.03159861  0.53297898
   0.47385394  0.26637767  0.76710464
   0.11882271  0.29041357  0.55440274
   0.36942128  0.49576310  0.84457077
   0.45725337  0.50396797  0.68126964
   0.23485152  0.36233272  0.71368228
   0.30387921  0.25097166 -0.09869420
   0.04310024  0.16672154  0.89455122
   0.12837044  0.57318959  0.10642964
   0.36998208  0.67341471  0.26294915
   0.10189955  0.84508434  0.04383728
   0.39326135  0.93704909  0.34423009
   0.42489993  0.91060589  0.16611480
   0.18114011  0.84815408  0.22759191
   0.32262939  0.66040298  0.44348136
   0.05819222  0.61792504  0.41678140
   0.19075781  0.54851253  0.57673279
   0.33323169  0.73149059  0.78552714
   0.14960340  0.80924815  0.53181797
   0.37042760  1.03326119  0.79602258
   0.45538144  0.89804207  0.64490794
   0.18381748  0.96549171  0.67033600
   0.28518324  0.68127313 -0.02725541
   0.03693816  0.64402275  0.92486781
   0.60855500  0.07285050  0.11015805
   0.82506720  0.19779740  0.25061359
   0.61816582  0.30728840  0.03679964
   0.87788107  0.44463655  0.35098111
   0.03115632  0.35712364  0.20162272
   0.78272316  0.44005160  0.15826067
   0.75808192  0.16910452  0.43288372
   0.49878511  0.11431356  0.44121404
   0.66308845  0.07158782  0.58465233
   0.81845662  0.21353092  0.78991582
   0.56684045  0.32836772  0.53638062
   0.87215409  0.47233541  0.85011330
   0.97720835  0.47559421  0.66866395
   0.72231030  0.43126432  0.68553811
   0.80768093  0.11380640  0.96951329
   0.55778676  0.09651951  0.91891897
   0.57632915  0.56289127  0.08064593
   0.86187366  0.69461552  0.28933292
   0.61237605  0.81917638  0.04811160
   0.86123030  0.96110376  0.34980125
   0.91532234  0.86573830  0.17028405
   0.67098815  0.87445696  0.23214030
   0.80828260  0.63853755  0.46792096
   0.56036763  0.57846455  0.37505967
   0.60326428  0.60159078  0.56959595
   0.82539994  0.71967148  0.80215385
   0.61476781  0.82454009  0.45091932
   0.92395192  0.96952474  0.81791767
   0.94111786  0.84140316  0.66202873
   0.69012887  0.93968617  0.74552924
   0.78411001  0.62879039  0.99287011
   0.53942944  0.68021172  0.90271718
   0.69037331  0.79626845  0.59035234
   0.55953515  0.87506914  0.39861564
   0.88565977  0.24966322  0.08230345
   0.96453173  0.39051978  0.33667910
   0.36086042  0.12472224  0.60320767
   0.24495141  0.78400540  0.77737271
   0.13787012  1.13491667  0.19859645
   0.22446030  1.08121061  0.01156848
   0.64752125  0.35873434  0.85119004
   0.92052702  0.52722011  0.62707645
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835455    0.171620   -0.082377
    -0.000000    9.870945   -0.212441
    -0.000000    0.000000   14.080067
   Si   O    H 
    32    64    10
Direct configuration=  1670
   0.17453778  0.19387280 -0.03845375
   0.37019753  0.09408786  0.37258813
   0.14438145  0.41195230  0.12842663
   0.38504010  0.33950262  0.25760790
   0.09473755  0.16074759  0.48598528
   0.43502579  0.16396317  0.85331865
   0.13087894  0.41962007  0.63142480
   0.37807403  0.40201470  0.75389539
   0.13388700  0.67774151  0.01080575
   0.39935599  0.58141963  0.35958027
   0.07404560  0.89782046  0.14207307
   0.34187574  0.84008876  0.25203117
   0.17502657  0.65575299  0.49057530
   0.37603576  0.65437721  0.87563543
   0.06981347  0.91323367  0.59975300
   0.34555062  1.01706337  0.67934243
   0.65222561  0.14645905  1.00873358
   0.86062219  0.12761281  0.35140874
   0.62222304  0.42459913  0.12587698
   0.87761344  0.30416556  0.17050917
   0.62893984  0.17587015  0.50328752
   0.89594378  0.11797244  0.86754660
   0.59449997  0.44925061  0.61655030
   0.76896884  0.37083467  0.79651095
   0.62597001  0.67304365  0.00213393
   0.90683252  0.60070029  0.38084881
   0.58205816  0.92061681  0.14026495
   0.82572083  0.85031480  0.26534912
   0.63842703  0.66516760  0.46780727
   0.87759441  0.62465412  0.88751969
   0.62117395  0.92701726  0.63507986
   0.84247285  0.86455309  0.75306692
   0.07642015  0.07163996  0.15377239
   0.37831131  0.17192152  0.27323652
   0.13626040  0.32959350  0.02702443
   0.34330875  0.42850444  0.35136773
   0.53497560  0.38372647  0.21609080
   0.28729830  0.39153126  0.17425170
   0.24117323  0.11040361  0.44312688
   0.01863860  0.18128433  0.37950401
   0.01350428  0.03286944  0.53420874
   0.47527304  0.26717092  0.76786855
   0.11857182  0.28930807  0.55402752
   0.37014360  0.49747459  0.84445198
   0.45729669  0.50452109  0.68115028
   0.23570932  0.36048552  0.71334413
   0.30478514  0.25238071 -0.09843946
   0.04092819  0.16607558  0.89312780
   0.12780015  0.57381946  0.10665711
   0.37167030  0.67275568  0.26427220
   0.10236615  0.84554877  0.04246711
   0.39288974  0.93840689  0.34474658
   0.42324359  0.90966303  0.16691615
   0.18202561  0.84837847  0.22798371
   0.32114789  0.66202255  0.44288934
   0.05811756  0.61853470  0.41708674
   0.19092638  0.54899587  0.57704802
   0.33301133  0.73063028  0.78403607
   0.14931037  0.80849846  0.53179192
   0.37148311  1.03461306  0.79543081
   0.45502119  0.90000607  0.64496307
   0.18482460  0.96710105  0.67055184
   0.28709050  0.68069836 -0.02628866
   0.03498080  0.64370844  0.92412797
   0.60867867  0.07384262  0.10977465
   0.82523287  0.19768864  0.25024883
   0.61731578  0.30737519  0.03714967
   0.87720175  0.44414866  0.35001690
   0.03059516  0.35922746  0.20262338
   0.78377052  0.43920003  0.15878322
   0.75788326  0.17053830  0.43357683
   0.49819724  0.11580438  0.44100435
   0.66353970  0.07032719  0.58516450
   0.81715653  0.21605681  0.78934030
   0.56712771  0.32606428  0.53751198
   0.87274798  0.47225919  0.85128394
   0.97987940  0.47456156  0.66714772
   0.72152825  0.42966363  0.68671024
   0.80727929  0.11365363  0.97078176
   0.55694536  0.09441766  0.92073903
   0.57540354  0.56312282  0.08014779
   0.86258175  0.69529537  0.29086338
   0.61271110  0.81966811  0.04792449
   0.86049084  0.96129808  0.35080902
   0.91640179  0.86629250  0.17041858
   0.67077548  0.87269822  0.23126479
   0.80729380  0.63978729  0.46716613
   0.55989821  0.57925773  0.37434803
   0.60243653  0.60218253  0.57105893
   0.82470003  0.71931359  0.80318486
   0.61468067  0.82333160  0.45120249
   0.92533671  0.96998305  0.81851313
   0.93867486  0.84173087  0.66121546
   0.69164553  0.94109568  0.74695136
   0.78307776  0.62839189  0.99182050
   0.53996155  0.68036483  0.90307797
   0.68694939  0.79834130  0.59403374
   0.55774707  0.87206652  0.39788717
   0.88875285  0.24464445  0.08345663
   0.95552841  0.40185099  0.33763248
   0.35743719  0.12473209  0.61273708
   0.24624256  0.77639291  0.77707541
   0.13808169  1.12361659  0.19045878
   0.21442902  1.07463250  0.00853010
   0.64364256  0.35521240  0.84869189
   0.92108429  0.53403577  0.62243347
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834169    0.173637   -0.081069
    -0.000000    9.872370   -0.212273
    -0.000000    0.000000   14.080636
   Si   O    H 
    32    64    10
Direct configuration=  1671
   0.17462065  0.19481474 -0.03871210
   0.36805378  0.09429353  0.37265089
   0.14193581  0.41229836  0.12865939
   0.38533966  0.33972678  0.25682613
   0.09345311  0.16207186  0.48603525
   0.43582008  0.16501571  0.85376895
   0.13122401  0.41946088  0.63207441
   0.37752255  0.40320968  0.75282335
   0.13536948  0.67599821  0.01006016
   0.39962947  0.58229383  0.36020241
   0.07455136  0.89759388  0.14181075
   0.34262156  0.84076889  0.25158467
   0.17488650  0.65623985  0.49121705
   0.37667354  0.65557307  0.87527756
   0.06999741  0.91248091  0.59952678
   0.34750851  1.01679545  0.67943156
   0.65131955  0.14797140  1.00878857
   0.86155803  0.12845302  0.35059601
   0.62335098  0.42166900  0.12552829
   0.87718916  0.30462770  0.17048344
   0.62969886  0.17563319  0.50262626
   0.89364735  0.11915573  0.86678349
   0.59381831  0.44867477  0.61764618
   0.76878034  0.37255066  0.79671893
   0.62562739  0.67215601  0.00243884
   0.90651588  0.59960584  0.37985339
   0.58181350  0.92035560  0.14049265
   0.82442945  0.85062225  0.26439915
   0.63853766  0.66560305  0.46780132
   0.87818437  0.62390248  0.88729958
   0.62062049  0.92792876  0.63477833
   0.84164056  0.86477967  0.75311762
   0.07675433  0.06975026  0.15464528
   0.37747961  0.17208201  0.27523321
   0.13654442  0.32844049  0.02747715
   0.34186604  0.42873020  0.35020123
   0.53640193  0.38322227  0.21595669
   0.28624539  0.39178274  0.17377983
   0.24088528  0.10881107  0.44332336
   0.01805322  0.18205557  0.37980773
   0.01414683  0.03461470  0.53508004
   0.47641969  0.26748660  0.76891879
   0.11863993  0.28837577  0.55358139
   0.36983977  0.49942964  0.84443521
   0.45778959  0.50387600  0.68065948
   0.23669324  0.35915094  0.71285389
   0.30645680  0.25357305 -0.09821100
   0.03965549  0.16598395  0.89249714
   0.12658105  0.57495316  0.10681025
   0.37327951  0.67271167  0.26529096
   0.10391641  0.84480318  0.04056370
   0.39184119  0.93868812  0.34508471
   0.42292711  0.90852906  0.16745825
   0.18297455  0.84830327  0.22849162
   0.31932537  0.66322269  0.44254451
   0.05938245  0.61858716  0.41715215
   0.19139626  0.54932131  0.57740181
   0.33297813  0.73026819  0.78237024
   0.14896060  0.80791723  0.53160701
   0.37246852  1.03581648  0.79501870
   0.45468436  0.90148996  0.64528091
   0.18554929  0.96875405  0.67075409
   0.28865326  0.68038713 -0.02604765
   0.03217113  0.64334116  0.92354125
   0.60830501  0.07426099  0.10957922
   0.82524696  0.19736169  0.24893735
   0.61632856  0.30861895  0.03807486
   0.87571981  0.44390605  0.34991567
   0.02994083  0.36038069  0.20316891
   0.78412125  0.43814278  0.15933678
   0.75740084  0.17214492  0.43456058
   0.49753964  0.11809728  0.44112075
   0.66334796  0.06856437  0.58602956
   0.81643379  0.21771065  0.78917571
   0.56759235  0.32449971  0.53889471
   0.87380587  0.47211294  0.85157697
   0.98241088  0.47319460  0.66633857
   0.72094008  0.42825485  0.68807660
   0.80642721  0.11355880  0.97205859
   0.55573909  0.09268366  0.92253204
   0.57438244  0.56345549  0.07916946
   0.86301345  0.69576336  0.29273330
   0.61352152  0.82078598  0.04767458
   0.85948220  0.96124323  0.35165804
   0.91805813  0.86712774  0.16983678
   0.67102640  0.87064407  0.23004114
   0.80627808  0.64178598  0.46722317
   0.56024020  0.57919925  0.37432848
   0.60237604  0.60240139  0.57253413
   0.82408908  0.71871576  0.80404252
   0.61399033  0.82351894  0.45120683
   0.92688067  0.97056129  0.81948352
   0.93668628  0.84222541  0.65977616
   0.69294432  0.94221996  0.74779354
   0.78400120  0.62829985  0.99042530
   0.54097472  0.68043229  0.90346526
   0.68328519  0.80785964  0.60198348
   0.55626115  0.86276858  0.40234476
   0.89770595  0.23798421  0.08000682
   0.96262424  0.39814871  0.33550615
   0.35331297  0.12952668  0.62031449
   0.24832312  0.76849456  0.77584187
   0.14423005  1.11505414  0.18539276
   0.20456525  1.06747679  0.00487666
   0.63877235  0.35347531  0.84821151
   0.92562296  0.53624914  0.61956493
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832755    0.175548   -0.079781
    -0.000000    9.873588   -0.211931
    -0.000000    0.000000   14.080643
   Si   O    H 
    32    64    10
Direct configuration=  1672
   0.17492611  0.19574729 -0.03878085
   0.36673814  0.09425484  0.37339987
   0.13956087  0.41222754  0.12827004
   0.38630431  0.33992853  0.25606560
   0.09314829  0.16322618  0.48575588
   0.43629098  0.16514448  0.85385462
   0.13161020  0.41970346  0.63283649
   0.37756965  0.40488725  0.75212163
   0.13664553  0.67385980  0.00983771
   0.40059321  0.58337887  0.36058210
   0.07509615  0.89838608  0.14202650
   0.34353999  0.84072409  0.25145403
   0.17505048  0.65725781  0.49210918
   0.37713618  0.65679832  0.87529260
   0.07020111  0.91138856  0.59926406
   0.34926090  1.01711079  0.67968808
   0.65054358  0.14951169  1.00894123
   0.86308314  0.12958003  0.34980849
   0.62392804  0.41927661  0.12544669
   0.87657362  0.30467877  0.17057892
   0.63005391  0.17539454  0.50199308
   0.89120845  0.12008918  0.86593640
   0.59310543  0.44849438  0.61860941
   0.76896976  0.37423590  0.79723255
   0.62515444  0.67096816  0.00268477
   0.90599572  0.59848438  0.37896553
   0.58180029  0.92052025  0.14031968
   0.82359419  0.85080694  0.26326850
   0.63876849  0.66532604  0.46758841
   0.87811847  0.62344179  0.88712366
   0.61991915  0.92888920  0.63492718
   0.84113379  0.86471789  0.75375117
   0.07581653  0.06745248  0.15458575
   0.37671775  0.17275975  0.27679766
   0.13702692  0.32664073  0.02774299
   0.34079196  0.42855952  0.34978624
   0.53732698  0.38261470  0.21571470
   0.28650294  0.39215771  0.17305451
   0.24036768  0.10692923  0.44353766
   0.01751322  0.18268387  0.38035919
   0.01404388  0.03685478  0.53579708
   0.47652516  0.26823910  0.76955795
   0.11843874  0.28746752  0.55356507
   0.36956653  0.50080788  0.84457798
   0.45839874  0.50301400  0.68056534
   0.23571423  0.35885383  0.71322659
   0.30822032  0.25417331 -0.09831280
   0.03872682  0.16627991  0.89232845
   0.12605441  0.57638170  0.10596696
   0.37396131  0.67296784  0.26587168
   0.10641818  0.84335073  0.03852662
   0.39049981  0.93854218  0.34544624
   0.42151634  0.90723055  0.16819035
   0.18327443  0.84793388  0.22871898
   0.31745597  0.66433008  0.44247928
   0.06037145  0.61914097  0.41723616
   0.19140834  0.54988712  0.57781924
   0.33415855  0.73016130  0.78020914
   0.14878412  0.80606394  0.53147062
   0.37346371  1.03678780  0.79478811
   0.45591356  0.90318261  0.64544087
   0.18654054  0.97053154  0.67102837
   0.28972297  0.68046086 -0.02616951
   0.02984557  0.64362664  0.92258648
   0.60818529  0.07491508  0.10898178
   0.82524391  0.19618950  0.24751420
   0.61537719  0.31003343  0.03909574
   0.87447645  0.44346229  0.34972119
   0.02892022  0.36089272  0.20352812
   0.78420066  0.43726199  0.15947873
   0.75790347  0.17337851  0.43571651
   0.49763753  0.11968288  0.44127635
   0.66219637  0.06699207  0.58663426
   0.81589386  0.21887624  0.78951826
   0.56764977  0.32298547  0.54049022
   0.87549875  0.47078316  0.85218239
   0.98411393  0.47175060  0.66585100
   0.72019102  0.42702795  0.68949768
   0.80549758  0.11312869  0.97286064
   0.55387066  0.09236762  0.92418885
   0.57323828  0.56367228  0.07808986
   0.86349297  0.69567278  0.29464888
   0.61381557  0.82212957  0.04696525
   0.85775478  0.96091927  0.35218565
   0.91887719  0.86740110  0.16861171
   0.67082818  0.86915370  0.22950005
   0.80542502  0.64387007  0.46685287
   0.56070287  0.57891874  0.37508996
   0.60270043  0.60340185  0.57341328
   0.82336811  0.71813712  0.80507108
   0.61190095  0.82384036  0.45126257
   0.92789819  0.97189203  0.82095187
   0.93599167  0.84322322  0.65812180
   0.69387732  0.94327269  0.74854498
   0.78589624  0.62837909  0.98887235
   0.54054155  0.68048521  0.90382508
   0.68181800  0.81330922  0.60791502
   0.55467937  0.85464595  0.40570944
   0.90387689  0.22987739  0.07869798
   0.96664876  0.39864514  0.33214693
   0.35101389  0.13836432  0.62738200
   0.23845327  0.76501913  0.77549076
   0.15948150  1.11009159  0.18702005
   0.19924600  1.05889402  0.00249119
   0.63882491  0.35548857  0.84689210
   0.94270337  0.53330833  0.62134381
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831665    0.176734   -0.078285
    -0.000000    9.874530   -0.211933
    -0.000000    0.000000   14.080683
   Si   O    H 
    32    64    10
Direct configuration=  1673
   0.17474321  0.19643612 -0.03874879
   0.36555811  0.09461155  0.37414392
   0.13705231  0.41199730  0.12753409
   0.38791914  0.34025578  0.25520747
   0.09286822  0.16431584  0.48511187
   0.43686577  0.16508670  0.85384393
   0.13221337  0.41953248  0.63333165
   0.37785115  0.40671017  0.75184337
   0.13780909  0.67214331  0.00942880
   0.40129907  0.58412081  0.36108411
   0.07555507  0.89930046  0.14208380
   0.34438912  0.84011763  0.25145050
   0.17563932  0.65797437  0.49308583
   0.37800702  0.65777946  0.87522667
   0.07074749  0.91019690  0.59890294
   0.35050277  1.01759729  0.67992095
   0.64955174  0.15028887  1.00926338
   0.86436813  0.13098647  0.34937888
   0.62438670  0.41729810  0.12532313
   0.87656857  0.30494145  0.17070483
   0.63012356  0.17479973  0.50134693
   0.88915374  0.12077665  0.86539529
   0.59204726  0.44864128  0.61945469
   0.76894966  0.37547008  0.79736715
   0.62574253  0.66993635  0.00239469
   0.90520366  0.59758689  0.37811239
   0.58113803  0.92034752  0.14000996
   0.82333327  0.85107082  0.26241727
   0.63871049  0.66449310  0.46730238
   0.87773211  0.62306029  0.88701880
   0.61890210  0.93048439  0.63532737
   0.84145646  0.86423689  0.75431864
   0.07590470  0.06462654  0.15469461
   0.37615967  0.17396284  0.27779496
   0.13719551  0.32496393  0.02800469
   0.33971972  0.42820831  0.34935038
   0.53900291  0.38193047  0.21531909
   0.28657439  0.39215966  0.17275909
   0.23910403  0.10544245  0.44380772
   0.01707184  0.18375331  0.38080618
   0.01297154  0.03974787  0.53646654
   0.47681105  0.26903964  0.76971287
   0.11819953  0.28767452  0.55361839
   0.36949939  0.50106224  0.84464163
   0.45869735  0.50139953  0.68053975
   0.23451534  0.35886720  0.71325650
   0.30903369  0.25395477 -0.09846619
   0.03913424  0.16724032  0.89229347
   0.12505745  0.57792182  0.10488725
   0.37470152  0.67339303  0.26601155
   0.10840110  0.84048924  0.03634155
   0.38891566  0.93752344  0.34518680
   0.42076617  0.90662112  0.16836418
   0.18322904  0.84851536  0.22869355
   0.31828081  0.66596311  0.44198595
   0.06184493  0.62061307  0.41750457
   0.19144392  0.54996130  0.57795748
   0.33410676  0.73055591  0.77762981
   0.14887086  0.80417058  0.53142439
   0.37432028  1.03762436  0.79481208
   0.45787952  0.90495529  0.64546666
   0.18770697  0.97176292  0.67155071
   0.29086035  0.68061779 -0.02661310
   0.02803753  0.64487573  0.92234211
   0.60866568  0.07526050  0.10820159
   0.82516126  0.19559758  0.24694793
   0.61482545  0.31072461  0.03984829
   0.87377545  0.44308436  0.34944331
   0.02778379  0.36116934  0.20437458
   0.78467895  0.43692169  0.15983917
   0.75812870  0.17406287  0.43630301
   0.49866386  0.12178550  0.44166631
   0.66102162  0.06596567  0.58754012
   0.81575143  0.21954257  0.78966981
   0.56770889  0.32170006  0.54199873
   0.87807648  0.46974537  0.85237489
   0.98572761  0.47046558  0.66584064
   0.72043572  0.42478342  0.69066458
   0.80427910  0.11267772  0.97314166
   0.55235324  0.09292967  0.92568553
   0.57231142  0.56366754  0.07769209
   0.86327857  0.69646850  0.29578439
   0.61438567  0.82339804  0.04586803
   0.85602668  0.96041724  0.35228066
   0.91832691  0.86695406  0.16747040
   0.67101404  0.86747613  0.22963395
   0.80439001  0.64646752  0.46634121
   0.56180499  0.57841879  0.37676635
   0.60307517  0.60416832  0.57432904
   0.82350127  0.71814631  0.80598699
   0.61016536  0.82342338  0.45187710
   0.92802124  0.97245222  0.82272226
   0.93604949  0.84409921  0.65632630
   0.69415727  0.94448692  0.74856886
   0.78762841  0.62838678  0.98688882
   0.53927202  0.67986726  0.90427057
   0.68418388  0.81034067  0.61346051
   0.53684670  0.85588342  0.40033798
   0.90778576  0.22317134  0.07878073
   0.96786964  0.40098304  0.33291469
   0.34869917  0.14722516  0.63451444
   0.23087540  0.76220654  0.77830614
   0.16352347  1.10010990  0.18477450
   0.19658043  1.05052975  0.00107380
   0.64435004  0.36175488  0.84680373
   0.95826576  0.53245778  0.62358409
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830437    0.178373   -0.076814
    -0.000000    9.875153   -0.211964
    -0.000000    0.000000   14.081003
   Si   O    H 
    32    64    10
Direct configuration=  1674
   0.17433368  0.19690961 -0.03864939
   0.36423682  0.09486750  0.37489517
   0.13503349  0.41219878  0.12693440
   0.38885548  0.34063795  0.25436745
   0.09272264  0.16438510  0.48440055
   0.43730859  0.16522503  0.85409029
   0.13310571  0.41926062  0.63395559
   0.37873861  0.40810946  0.75143304
   0.13841462  0.67104995  0.00913397
   0.40160358  0.58485941  0.36155742
   0.07533173  0.90021337  0.14238755
   0.34456135  0.83969188  0.25209152
   0.17574494  0.65852735  0.49432102
   0.37909967  0.65889480  0.87489354
   0.07131718  0.90914207  0.59895759
   0.35157826  1.01829309  0.68060811
   0.64864177  0.15073535  1.00926204
   0.86507712  0.13242288  0.34933849
   0.62498308  0.41601752  0.12496815
   0.87646365  0.30512609  0.17108850
   0.63033434  0.17445124  0.50122636
   0.88700505  0.12128202  0.86537022
   0.59062527  0.44876055  0.62026646
   0.76799584  0.37627425  0.79716287
   0.62643441  0.66910081  0.00201729
   0.90497511  0.59698045  0.37774640
   0.58049260  0.92004110  0.13949473
   0.82340940  0.85091479  0.26202023
   0.63912670  0.66290609  0.46665021
   0.87743759  0.62210459  0.88688453
   0.61723091  0.93190686  0.63632176
   0.84208605  0.86397049  0.75527978
   0.07676991  0.06195907  0.15525770
   0.37605943  0.17583221  0.27763131
   0.13651230  0.32298134  0.02879198
   0.33914047  0.42732318  0.34869998
   0.54005857  0.38069697  0.21517030
   0.28667319  0.39164837  0.17258745
   0.23777325  0.10414048  0.44444939
   0.01628844  0.18420689  0.38204441
   0.01195507  0.04238652  0.53735602
   0.47700244  0.27019469  0.77002566
   0.11794260  0.28826779  0.55345581
   0.36938167  0.50097562  0.84508660
   0.45912801  0.49958523  0.68070347
   0.23329153  0.35921231  0.71344933
   0.30945461  0.25449259 -0.09882012
   0.03978394  0.16857581  0.89310925
   0.12335076  0.57919066  0.10359323
   0.37485035  0.67403459  0.26588606
   0.11029091  0.83757278  0.03456203
   0.38704774  0.93632156  0.34505552
   0.42023829  0.90644472  0.16770333
   0.18366502  0.84912931  0.22858384
   0.31909131  0.66721877  0.44204739
   0.06265970  0.62154537  0.41796564
   0.19064542  0.55008464  0.57847453
   0.33413771  0.73078341  0.77492140
   0.14870987  0.80279544  0.53149310
   0.37453460  1.03835156  0.79481799
   0.45967119  0.90618999  0.64524238
   0.18859040  0.97271862  0.67254701
   0.29230968  0.68213007 -0.02743201
   0.02758616  0.64599562  0.92223943
   0.60887941  0.07527289  0.10767864
   0.82579014  0.19471131  0.24651811
   0.61454379  0.31137572  0.04001891
   0.87297345  0.44229384  0.34959575
   0.02652648  0.36074024  0.20542505
   0.78512020  0.43631936  0.16019663
   0.75852645  0.17432427  0.43681464
   0.49945511  0.12388835  0.44202689
   0.66040290  0.06469154  0.58773661
   0.81641917  0.21915824  0.78996450
   0.56745021  0.32069081  0.54320908
   0.88025488  0.46875698  0.85210593
   0.98731211  0.46873985  0.66618107
   0.72120583  0.42207789  0.69191662
   0.80264920  0.11204229  0.97338005
   0.55107215  0.09308243  0.92674195
   0.57169259  0.56368136  0.07700888
   0.86240940  0.69770591  0.29636554
   0.61486983  0.82500571  0.04534927
   0.85389982  0.95984325  0.35179060
   0.91752074  0.86691212  0.16635656
   0.67056309  0.86655309  0.22977009
   0.80327753  0.64816351  0.46584615
   0.56243964  0.57818572  0.37861016
   0.60274036  0.60381253  0.57459661
   0.82312955  0.71873095  0.80703051
   0.60780210  0.82403679  0.45221523
   0.92820381  0.97273555  0.82451072
   0.93672485  0.84512413  0.65514753
   0.69415301  0.94535599  0.74784735
   0.78878961  0.62821192  0.98516160
   0.53840876  0.67952417  0.90467139
   0.69352590  0.79822844  0.61551292
   0.52484856  0.85362394  0.40191417
   0.90642274  0.22267128  0.08418394
   0.95940030  0.40380479  0.33164412
   0.34707736  0.15561290  0.63676660
   0.23673544  0.75616392  0.77979209
   0.16025101  1.08951470  0.18240812
   0.19674298  1.04860427 -0.00149580
   0.64768787  0.36879160  0.84820355
   0.96496305  0.54357022  0.62157149
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829336    0.180129   -0.075055
    -0.000000    9.875585   -0.211978
    -0.000000    0.000000   14.081189
   Si   O    H 
    32    64    10
Direct configuration=  1675
   0.17368029  0.19689579 -0.03867164
   0.36311392  0.09578292  0.37582999
   0.13270634  0.41259411  0.12653499
   0.38932427  0.34057175  0.25319855
   0.09289731  0.16391635  0.48387441
   0.43707577  0.16562075  0.85433748
   0.13418688  0.41922604  0.63433190
   0.37936868  0.40891952  0.75127733
   0.13918774  0.67052527  0.00873811
   0.40141061  0.58519540  0.36159984
   0.07525255  0.90075577  0.14267688
   0.34491334  0.83856821  0.25328261
   0.17592264  0.65834316  0.49548825
   0.38029624  0.65966327  0.87446653
   0.07139775  0.90886159  0.59935089
   0.35186651  1.01877628  0.68152218
   0.64769062  0.15143642  1.00907352
   0.86586931  0.13356280  0.34908327
   0.62512796  0.41535239  0.12482627
   0.87693804  0.30522346  0.17177530
   0.63067157  0.17427040  0.50150680
   0.88531625  0.12179113  0.86550524
   0.58956879  0.44908582  0.62102553
   0.76685805  0.37668901  0.79684600
   0.62758385  0.66802436  0.00117912
   0.90436103  0.59712278  0.37787262
   0.57979643  0.91949023  0.13880504
   0.82360822  0.85030412  0.26191416
   0.63932512  0.66155403  0.46615029
   0.87801728  0.62132212  0.88708164
   0.61594554  0.93238823  0.63766087
   0.84297040  0.86397222  0.75600760
   0.07775384  0.05981168  0.15612674
   0.37615503  0.17786394  0.27797585
   0.13521600  0.32173968  0.03014243
   0.33865001  0.42665042  0.34812941
   0.54138326  0.37891119  0.21518834
   0.28636309  0.39100741  0.17232349
   0.23672923  0.10299928  0.44479861
   0.01642193  0.18408156  0.38331358
   0.01180693  0.04479384  0.53835835
   0.47689422  0.27146999  0.76987388
   0.11754419  0.28941974  0.55314261
   0.36918617  0.50114532  0.84565203
   0.45969609  0.49723296  0.68042556
   0.23218272  0.35935340  0.71337626
   0.30979303  0.25499784 -0.09924309
   0.04049835  0.16949997  0.89387497
   0.12129910  0.57987700  0.10240994
   0.37595963  0.67406871  0.26574698
   0.11251407  0.83445687  0.03310029
   0.38479511  0.93474997  0.34477860
   0.42000698  0.90629622  0.16679212
   0.18440108  0.84943452  0.22770229
   0.31978284  0.66794586  0.44185178
   0.06404353  0.62217794  0.41795715
   0.19027065  0.55029572  0.57844895
   0.33437429  0.73159035  0.77301297
   0.14755966  0.80235366  0.53170342
   0.37434448  1.03936929  0.79486380
   0.46145627  0.90706013  0.64465645
   0.18935074  0.97302728  0.67287546
   0.29359027  0.68281353 -0.02836279
   0.02771473  0.64700940  0.92223549
   0.60914619  0.07520122  0.10748758
   0.82559941  0.19408105  0.24632911
   0.61398750  0.31125318  0.03963333
   0.87258286  0.44136475  0.35015464
   0.02543708  0.36028511  0.20583771
   0.78517250  0.43578537  0.16008371
   0.75954751  0.17542883  0.43748402
   0.50068465  0.12510809  0.44113239
   0.66043885  0.06363294  0.58724758
   0.81742653  0.21851949  0.79016656
   0.56680505  0.31925605  0.54437781
   0.88259501  0.46756479  0.85199270
   0.98880955  0.46734734  0.66641242
   0.72151476  0.41991427  0.69317337
   0.80033423  0.11190701  0.97296630
   0.55012418  0.09333753  0.92763664
   0.57132927  0.56277539  0.07649327
   0.86152800  0.69956347  0.29656015
   0.61510009  0.82658100  0.04493823
   0.85200936  0.95967365  0.35089652
   0.91521260  0.86680331  0.16517595
   0.66914057  0.86622238  0.23079161
   0.80251341  0.64995890  0.46547455
   0.56353628  0.57858398  0.38056153
   0.60258529  0.60355813  0.57475519
   0.82231335  0.72017739  0.80751972
   0.60496258  0.82461598  0.45219323
   0.92779677  0.97192007  0.82587479
   0.93797922  0.84611362  0.65422590
   0.69370784  0.94652033  0.74675013
   0.78967777  0.62868121  0.98310361
   0.53769231  0.67952167  0.90487775
   0.69718568  0.79027581  0.61578626
   0.52454870  0.84625139  0.40838690
   0.90292836  0.22814551  0.09104889
   0.95612844  0.40059477  0.32721777
   0.34916198  0.15934913  0.63939404
   0.24189109  0.74999101  0.78113160
   0.16353953  1.08317946  0.18336539
   0.20212898  1.05480344 -0.00493549
   0.65005249  0.37510280  0.85312328
   0.96953559  0.55088137  0.62257188
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828307    0.181973   -0.073209
    -0.000000    9.876333   -0.211738
    -0.000000    0.000000   14.081426
   Si   O    H 
    32    64    10
Direct configuration=  1676
   0.17308393  0.19672968 -0.03907783
   0.36279760  0.09661795  0.37653408
   0.13046631  0.41332371  0.12586917
   0.38929781  0.34041788  0.25233452
   0.09362291  0.16292811  0.48323712
   0.43710207  0.16594882  0.85432883
   0.13527193  0.41904272  0.63437571
   0.37997977  0.40930069  0.75150465
   0.14072427  0.67056753  0.00815859
   0.40141651  0.58585390  0.36115160
   0.07520111  0.90118530  0.14325187
   0.34475830  0.83728470  0.25424094
   0.17582039  0.65740795  0.49631951
   0.38166853  0.65985134  0.87373884
   0.07124970  0.90947275  0.59991966
   0.35194085  1.01902307  0.68185464
   0.64720487  0.15246155  1.00909968
   0.86632400  0.13422702  0.34881535
   0.62541067  0.41531135  0.12536201
   0.87720520  0.30502137  0.17256775
   0.63052967  0.17352127  0.50194747
   0.88411561  0.12176750  0.86544993
   0.58911825  0.44913000  0.62151596
   0.76580159  0.37709335  0.79699910
   0.62855708  0.66728231  0.00053742
   0.90413610  0.59754900  0.37791850
   0.57983002  0.91865795  0.13807346
   0.82368663  0.85037553  0.26201503
   0.63913472  0.66068844  0.46570126
   0.87821549  0.62007298  0.88719823
   0.61620395  0.93196724  0.63878047
   0.84420925  0.86406291  0.75658600
   0.07930689  0.05859004  0.15661469
   0.37602921  0.18072783  0.27834317
   0.13336529  0.32121427  0.03117531
   0.33927421  0.42638251  0.34804152
   0.54243873  0.37725845  0.21513593
   0.28633448  0.39028220  0.17197701
   0.23547151  0.10211018  0.44547489
   0.01690041  0.18390364  0.38447783
   0.01205645  0.04649024  0.53933004
   0.47649276  0.27336781  0.76947162
   0.11719748  0.29107146  0.55327227
   0.36827854  0.50092906  0.84631560
   0.46126825  0.49568157  0.68014121
   0.23249666  0.35970543  0.71364645
   0.30922267  0.25528980 -0.09902024
   0.04087781  0.17061920  0.89465616
   0.11918029  0.58025517  0.10134209
   0.37791655  0.67493091  0.26593132
   0.11472419  0.83268230  0.03183315
   0.38309651  0.93336125  0.34481467
   0.41967248  0.90616806  0.16569957
   0.18531815  0.84990261  0.22683057
   0.32008598  0.66883407  0.44182295
   0.06428158  0.62299526  0.41709932
   0.18995821  0.55022994  0.57862362
   0.33476686  0.73214205  0.77136120
   0.14658515  0.80260786  0.53195186
   0.37356659  1.03971295  0.79467860
   0.46306327  0.90813255  0.64366697
   0.19061187  0.97275464  0.67320352
   0.29528690  0.68335607 -0.02918709
   0.02845842  0.64788462  0.92269381
   0.60985362  0.07450551  0.10779693
   0.82595266  0.19333567  0.24609759
   0.61405630  0.31037479  0.03890761
   0.87256376  0.44060714  0.35101683
   0.02471510  0.35959661  0.20582877
   0.78454454  0.43473478  0.16001314
   0.76047314  0.17642119  0.43750862
   0.50198708  0.12638467  0.44014132
   0.66060915  0.06351788  0.58593881
   0.81776374  0.21863434  0.78997007
   0.56645496  0.31793386  0.54612149
   0.88357236  0.46684800  0.85203668
   0.99020676  0.46599285  0.66628046
   0.72241196  0.41797087  0.69483293
   0.79727402  0.11147639  0.97190204
   0.54950377  0.09408119  0.92895749
   0.57092576  0.56273819  0.07647468
   0.86041168  0.70199302  0.29672071
   0.61553553  0.82783188  0.04434953
   0.85017022  0.96017877  0.34994257
   0.91282437  0.86730333  0.16419339
   0.66770936  0.86701413  0.23186312
   0.80287326  0.65055040  0.46580246
   0.56500608  0.57802271  0.38142441
   0.60278787  0.60294040  0.57443231
   0.82204632  0.72160568  0.80787077
   0.60216035  0.82566394  0.45275658
   0.92777817  0.97039023  0.82657210
   0.93935388  0.84664856  0.65461869
   0.69240397  0.94736158  0.74566292
   0.79101776  0.62920409  0.98130637
   0.53719298  0.68032420  0.90480192
   0.70062876  0.79032321  0.61628435
   0.52811964  0.83906627  0.41566351
   0.89866286  0.22951181  0.09158079
   0.95666431  0.39217595  0.32347347
   0.35543470  0.15812801  0.64095918
   0.23720417  0.74919602  0.78347490
   0.16675747  1.07962060  0.18556755
   0.21131968  1.06569416 -0.00811493
   0.64858896  0.38019689  0.85960488
   0.97495582  0.54767452  0.62878317
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827518    0.184936   -0.071591
    -0.000000    9.877025   -0.210957
    -0.000000    0.000000   14.082062
   Si   O    H 
    32    64    10
Direct configuration=  1677
   0.17297118  0.19664378 -0.03958418
   0.36290199  0.09748028  0.37750446
   0.12820442  0.41402820  0.12533621
   0.38927589  0.34032173  0.25168791
   0.09375449  0.16210103  0.48308042
   0.43749851  0.16594823  0.85382453
   0.13687694  0.41915050  0.63423714
   0.38079827  0.40935547  0.75167813
   0.14177467  0.67035822  0.00740809
   0.40149565  0.58569309  0.36072776
   0.07504945  0.90106555  0.14376376
   0.34451090  0.83544899  0.25545826
   0.17562239  0.65633015  0.49740925
   0.38248140  0.65987010  0.87267751
   0.07144004  0.91011747  0.60051185
   0.35157077  1.01906502  0.68214130
   0.64687169  0.15270795  1.00922467
   0.86588958  0.13491128  0.34830581
   0.62619743  0.41565907  0.12550178
   0.87695143  0.30478255  0.17312975
   0.63010885  0.17314076  0.50223655
   0.88344039  0.12122928  0.86555472
   0.58911269  0.44893271  0.62212306
   0.76554059  0.37654741  0.79751351
   0.62890266  0.66719741 -0.00008956
   0.90382826  0.59781091  0.37819195
   0.57975866  0.91779213  0.13743452
   0.82305127  0.85095285  0.26226180
   0.63863559  0.66012311  0.46531313
   0.87800664  0.61957824  0.88711642
   0.61774443  0.93161200  0.63982369
   0.84544983  0.86441844  0.75648055
   0.08143725  0.05797242  0.15673574
   0.37566796  0.18338809  0.27816139
   0.13184368  0.32156571  0.03210355
   0.33968224  0.42648231  0.34815664
   0.54336755  0.37525373  0.21531219
   0.28610346  0.39011366  0.17159932
   0.23432907  0.10153527  0.44580363
   0.01739652  0.18322427  0.38464194
   0.01241623  0.04739064  0.53989401
   0.47699685  0.27541440  0.76920768
   0.11700322  0.29246442  0.55356487
   0.36762131  0.50083145  0.84702130
   0.46240443  0.49469122  0.67962938
   0.23299025  0.36008467  0.71442276
   0.30939734  0.25496599 -0.09847987
   0.04091020  0.17202439  0.89525789
   0.11719425  0.58056134  0.10036407
   0.37929000  0.67576961  0.26624806
   0.11628557  0.83139154  0.03083951
   0.38084416  0.93266721  0.34532961
   0.41950937  0.90648592  0.16480929
   0.18654322  0.85068583  0.22565727
   0.31968046  0.66932707  0.44180408
   0.06382083  0.62344296  0.41661075
   0.18880846  0.55036400  0.57901478
   0.33571941  0.73290976  0.77022280
   0.14523416  0.80353561  0.53241292
   0.37227741  1.03935429  0.79402395
   0.46475175  0.90979391  0.64288255
   0.19149567  0.97094477  0.67300922
   0.29631980  0.68404104 -0.03090256
   0.02927256  0.64902024  0.92294975
   0.60983848  0.07388927  0.10831398
   0.82645074  0.19246374  0.24598153
   0.61385775  0.30918309  0.03798167
   0.87277659  0.43957922  0.35163322
   0.02434068  0.35931112  0.20619370
   0.78446587  0.43365276  0.16005905
   0.76163862  0.17809661  0.43721746
   0.50215469  0.12779734  0.43885832
   0.66024910  0.06402969  0.58508584
   0.81814394  0.21853502  0.78972541
   0.56686927  0.31670279  0.54801996
   0.88328788  0.46612412  0.85184179
   0.99090936  0.46595937  0.66601406
   0.72323752  0.41605125  0.69596713
   0.79546961  0.11106799  0.97066059
   0.54932524  0.09534547  0.92933144
   0.57089751  0.56215118  0.07667819
   0.85963047  0.70393345  0.29630821
   0.61559948  0.82878272  0.04361900
   0.84962745  0.96083851  0.34887870
   0.91098647  0.86826666  0.16284368
   0.66595744  0.86738450  0.23291191
   0.80399219  0.65070264  0.46663863
   0.56617845  0.57742352  0.38279431
   0.60393470  0.60145448  0.57361668
   0.82208685  0.72349726  0.80812376
   0.59993697  0.82573864  0.45430846
   0.92807048  0.96833973  0.82691104
   0.94174344  0.84706786  0.65497695
   0.69158402  0.94792354  0.74431690
   0.79122097  0.63093320  0.97998951
   0.53660748  0.68109283  0.90516671
   0.69892894  0.79982775  0.61601150
   0.51414799  0.83546439  0.41534079
   0.89428597  0.22968244  0.08870852
   0.95685180  0.38533258  0.32249746
   0.36252607  0.15509620  0.64251782
   0.23146099  0.75071387  0.78517290
   0.16604331  1.08194354  0.18668916
   0.22277329  1.07289263 -0.00654658
   0.64803963  0.38451603  0.86714281
   0.97611068  0.54233674  0.63715452
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827244    0.187822   -0.070166
    -0.000000    9.877690   -0.210430
    -0.000000    0.000000   14.082849
   Si   O    H 
    32    64    10
Direct configuration=  1678
   0.17293920  0.19727484 -0.04036079
   0.36336549  0.09802883  0.37789164
   0.12671908  0.41479077  0.12466899
   0.38887525  0.34034016  0.25104238
   0.09372111  0.16147674  0.48369734
   0.43817725  0.16648222  0.85330967
   0.13847223  0.41934409  0.63403318
   0.38128715  0.40921700  0.75270514
   0.14275104  0.66958577  0.00648776
   0.40186711  0.58511679  0.36022473
   0.07471497  0.90076117  0.14405994
   0.34394326  0.83337434  0.25638953
   0.17501272  0.65537104  0.49840072
   0.38345716  0.66002293  0.87159228
   0.07139617  0.91109035  0.60119929
   0.35112793  1.01925747  0.68256815
   0.64623910  0.15327338  1.00977155
   0.86520548  0.13559935  0.34813369
   0.62724466  0.41573283  0.12579115
   0.87753394  0.30469435  0.17368724
   0.62964455  0.17314963  0.50273372
   0.88339653  0.12055534  0.86525279
   0.58956457  0.44912199  0.62262859
   0.76517203  0.37568992  0.79783573
   0.62950379  0.66715908 -0.00038604
   0.90289282  0.59710123  0.37853081
   0.57956231  0.91689422  0.13685095
   0.82244906  0.85123061  0.26225763
   0.63885150  0.65929720  0.46514427
   0.87807111  0.61985272  0.88690848
   0.61943683  0.93071202  0.64038436
   0.84672663  0.86573696  0.75606439
   0.08331136  0.05768159  0.15658882
   0.37582075  0.18629684  0.27825691
   0.13083323  0.32183359  0.03289333
   0.33954958  0.42630385  0.34798481
   0.54420392  0.37249017  0.21561117
   0.28548277  0.39047329  0.17102884
   0.23428076  0.10104313  0.44574065
   0.01818769  0.18311488  0.38471992
   0.01256612  0.04824182  0.54029777
   0.47778824  0.27644509  0.76923291
   0.11721163  0.29315807  0.55401446
   0.36675029  0.50008150  0.84782494
   0.46273981  0.49388402  0.67889492
   0.23336382  0.36020256  0.71542753
   0.30933362  0.25511372 -0.09767420
   0.04083352  0.17381242  0.89594948
   0.11516085  0.57975051  0.09955121
   0.38081106  0.67655715  0.26611627
   0.11637097  0.83018253  0.03058531
   0.37872440  0.93154552  0.34591796
   0.41896211  0.90668765  0.16414171
   0.18688420  0.85160034  0.22496346
   0.32001072  0.66932431  0.44231264
   0.06315258  0.62349046  0.41628371
   0.18853242  0.55029613  0.57957321
   0.33632503  0.73342772  0.76963825
   0.14418051  0.80525875  0.53304164
   0.37114708  1.03898034  0.79336190
   0.46568373  0.91178960  0.64215792
   0.19282616  0.96891081  0.67222777
   0.29772703  0.68474798 -0.03264675
   0.02985847  0.65107248  0.92297057
   0.61005722  0.07403102  0.10862747
   0.82681067  0.19120600  0.24634920
   0.61400766  0.30800989  0.03696352
   0.87422447  0.43794002  0.35172052
   0.02423482  0.36086300  0.20673984
   0.78423330  0.43264526  0.15974136
   0.76299042  0.17948280  0.43697349
   0.50186019  0.12870619  0.43747830
   0.66054321  0.06558109  0.58439120
   0.81858231  0.21837843  0.78928481
   0.56723836  0.31647758  0.54957094
   0.88268488  0.46587852  0.85110227
   0.99159628  0.46438932  0.66639063
   0.72347736  0.41464284  0.69626266
   0.79467659  0.11113021  0.96920921
   0.54840931  0.09752169  0.92958906
   0.57049794  0.56075961  0.07647438
   0.85915863  0.70534432  0.29541848
   0.61580084  0.82979532  0.04251759
   0.84963163  0.96157328  0.34798056
   0.90890614  0.86957912  0.16204905
   0.66371825  0.86721124  0.23400305
   0.80528508  0.65027913  0.46776828
   0.56741835  0.57694298  0.38356620
   0.60460461  0.59915807  0.57280784
   0.82290938  0.72441354  0.80833009
   0.59793415  0.82556644  0.45612522
   0.92789533  0.96645884  0.82703822
   0.94358364  0.84744019  0.65624577
   0.69200723  0.94808443  0.74274591
   0.79062955  0.63154325  0.97917808
   0.53607650  0.68173683  0.90536416
   0.69512321  0.81036707  0.61547612
   0.50611688  0.83384030  0.41654538
   0.89200092  0.22937493  0.08152133
   0.95473868  0.38217637  0.32342533
   0.36627271  0.15019724  0.64509765
   0.23166849  0.75067632  0.78460576
   0.16642093  1.08992298  0.18821599
   0.23715158  1.07414601 -0.00205505
   0.65012240  0.38938915  0.87299226
   0.96841853  0.55612427  0.63577686
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827096    0.191275   -0.068607
    -0.000000    9.878131   -0.210177
    -0.000000    0.000000   14.083411
   Si   O    H 
    32    64    10
Direct configuration=  1679
   0.17341699  0.19821440 -0.04121041
   0.36447412  0.09879422  0.37780724
   0.12565736  0.41551258  0.12453166
   0.38838790  0.34039723  0.25059601
   0.09329142  0.16119374  0.48489791
   0.43901416  0.16670545  0.85278922
   0.14015744  0.41915733  0.63373771
   0.38202234  0.40953169  0.75375487
   0.14398028  0.66877335  0.00572819
   0.40206590  0.58455945  0.35964786
   0.07397715  0.90054217  0.14418861
   0.34395731  0.83230163  0.25692730
   0.17451130  0.65465388  0.49885249
   0.38452851  0.66008973  0.87076161
   0.07142578  0.91224421  0.60190875
   0.35049398  1.01888194  0.68275638
   0.64571291  0.15364810  1.01033867
   0.86482119  0.13557942  0.34823109
   0.62800964  0.41607789  0.12565661
   0.87850717  0.30460511  0.17401204
   0.62879564  0.17319751  0.50335346
   0.88395977  0.11980979  0.86575623
   0.59023686  0.44987762  0.62272969
   0.76451205  0.37531749  0.79871442
   0.63021902  0.66696828 -0.00059000
   0.90188824  0.59606969  0.37893124
   0.57909768  0.91613075  0.13617194
   0.82148544  0.85180697  0.26232386
   0.63886988  0.65886038  0.46561286
   0.87847776  0.62012582  0.88665707
   0.62164437  0.92998058  0.64092990
   0.84841377  0.86709564  0.75559449
   0.08526170  0.05907185  0.15677535
   0.37494655  0.18890708  0.27833620
   0.12933421  0.32137558  0.03247281
   0.34031566  0.42617048  0.34796355
   0.54493620  0.36959894  0.21723900
   0.28417444  0.39030266  0.17075964
   0.23443061  0.10033373  0.44537510
   0.01857750  0.18259810  0.38409481
   0.01266635  0.04833500  0.54083487
   0.47867498  0.27692841  0.76927432
   0.11736890  0.29333037  0.55453112
   0.36596949  0.49932361  0.84822390
   0.46279789  0.49335894  0.67826592
   0.23265974  0.36076879  0.71636512
   0.30912812  0.25450846 -0.09627863
   0.04080546  0.17540629  0.89611920
   0.11361307  0.57930162  0.09831485
   0.38178000  0.67710682  0.26584738
   0.11605900  0.82988144  0.03089167
   0.37675363  0.93109480  0.34584263
   0.41805679  0.90645875  0.16351944
   0.18793365  0.85213860  0.22395061
   0.31955084  0.67019485  0.44257332
   0.06209124  0.62318568  0.41623794
   0.18847691  0.54885657  0.58027728
   0.33673027  0.73332211  0.76923823
   0.14271598  0.80615220  0.53347182
   0.36989096  1.03864448  0.79332185
   0.46570811  0.91298902  0.64168591
   0.19377561  0.96635335  0.67198998
   0.29958882  0.68460229 -0.03413834
   0.03157251  0.65281960  0.92254679
   0.60983259  0.07447205  0.10828147
   0.82665394  0.19013124  0.24669410
   0.61486258  0.30627446  0.03612014
   0.87607077  0.43664507  0.35151171
   0.02393766  0.36262872  0.20692926
   0.78345430  0.43226703  0.15985043
   0.76427604  0.18065504  0.43645367
   0.50159441  0.12968137  0.43594453
   0.66107135  0.06762143  0.58345430
   0.81959376  0.21823336  0.78913517
   0.56806340  0.31655744  0.55105658
   0.88183285  0.46497474  0.85028186
   0.99140695  0.46359928  0.66683146
   0.72307703  0.41315065  0.69606196
   0.79494652  0.11108562  0.96794435
   0.54674355  0.09947710  0.92973843
   0.56998671  0.55990438  0.07690522
   0.85931438  0.70616259  0.29509015
   0.61563118  0.82990234  0.04162491
   0.84951045  0.96204593  0.34671890
   0.90788120  0.87091486  0.16159138
   0.66064559  0.86656596  0.23451905
   0.80727621  0.65006509  0.46877912
   0.56868735  0.57613531  0.38444242
   0.60511040  0.59679319  0.57180462
   0.82382770  0.72466538  0.80825990
   0.59525237  0.82525261  0.45732299
   0.92738278  0.96479923  0.82752108
   0.94554553  0.84727391  0.65753823
   0.69278593  0.94845281  0.74173780
   0.78936361  0.63158011  0.97947138
   0.53577587  0.68188180  0.90548831
   0.69252014  0.81543103  0.61266311
   0.50542495  0.83496416  0.42044744
   0.88927841  0.23048864  0.07596573
   0.95083024  0.38697808  0.32519483
   0.36974540  0.15000979  0.64321036
   0.23972166  0.74665623  0.77984061
   0.16740697  1.09687605  0.18651797
   0.24800925  1.07505780  0.00498069
   0.65543614  0.39356601  0.87620273
   0.96241118  0.56120458  0.63633305
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827278    0.193989   -0.066523
    -0.000000    9.878740   -0.209795
    -0.000000    0.000000   14.084158
   Si   O    H 
    32    64    10
Direct configuration=  1680
   0.17410711  0.19865930 -0.04180260
   0.36558587  0.09933085  0.37766952
   0.12528058  0.41655749  0.12444534
   0.38800908  0.34151408  0.25013116
   0.09238106  0.16112919  0.48554538
   0.43908690  0.16659154  0.85262187
   0.14126089  0.41882675  0.63381185
   0.38248322  0.40985494  0.75484850
   0.14539555  0.66863947  0.00486044
   0.40248968  0.58417009  0.35940045
   0.07340896  0.89986907  0.14443602
   0.34477947  0.83172303  0.25693739
   0.17463987  0.65410041  0.49888989
   0.38525887  0.65995696  0.87030123
   0.07171997  0.91331321  0.60265046
   0.34975365  1.01848878  0.68315279
   0.64514243  0.15366280  1.01133510
   0.86343233  0.13475000  0.34895068
   0.62804667  0.41630058  0.12547972
   0.87943365  0.30354963  0.17394458
   0.62783421  0.17357936  0.50364279
   0.88462758  0.11881855  0.86601439
   0.59095359  0.44984456  0.62320491
   0.76449792  0.37489420  0.79951211
   0.63141421  0.66699459 -0.00093992
   0.90129164  0.59510959  0.37947438
   0.57866123  0.91544526  0.13548895
   0.81983552  0.85292223  0.26249958
   0.63932370  0.65892843  0.46657774
   0.87924699  0.62029803  0.88639030
   0.62351775  0.92950598  0.64156715
   0.84952413  0.86832252  0.75498417
   0.08637872  0.06038644  0.15616866
   0.37461117  0.19087955  0.27862699
   0.12712277  0.32221232  0.03226388
   0.34041192  0.42695116  0.34787873
   0.54501232  0.36744586  0.21850979
   0.28215958  0.39031543  0.17047578
   0.23508266  0.09960794  0.44557381
   0.01826171  0.18280742  0.38298667
   0.01296571  0.04772139  0.54147951
   0.48037959  0.27738311  0.76995670
   0.11689944  0.29348448  0.55517301
   0.36528011  0.49858785  0.84848445
   0.46258112  0.49214439  0.67784199
   0.23235408  0.36095334  0.71807202
   0.30939220  0.25472371 -0.09567614
   0.04013938  0.17731885  0.89627595
   0.11172715  0.57893396  0.09725369
   0.38362054  0.67711213  0.26608007
   0.11540422  0.83066088  0.03157909
   0.37479799  0.93066290  0.34569913
   0.41720209  0.90639942  0.16358767
   0.18827360  0.85219229  0.22271085
   0.31974815  0.67047655  0.44252014
   0.06111592  0.62228642  0.41648539
   0.18878230  0.54807554  0.58042659
   0.33636470  0.73308470  0.76937803
   0.14144002  0.80745345  0.53382014
   0.36974483  1.03884673  0.79366833
   0.46407139  0.91449944  0.64097698
   0.19429475  0.96479025  0.67215814
   0.30104585  0.68458652 -0.03538585
   0.03279272  0.65404576  0.92261632
   0.60909389  0.07509481  0.10742167
   0.82623977  0.18920489  0.24684999
   0.61580924  0.30551118  0.03579824
   0.87806243  0.43646496  0.35170475
   0.02426120  0.36526812  0.20711614
   0.78261636  0.43208408  0.16001455
   0.76490571  0.18188238  0.43619292
   0.50106180  0.13009049  0.43441293
   0.66221347  0.06975057  0.58212328
   0.82103543  0.21828524  0.78866127
   0.56932022  0.31565627  0.55323574
   0.88014557  0.46430726  0.85014806
   0.99079918  0.46418393  0.66743831
   0.72269054  0.41208007  0.69474502
   0.79519723  0.11171395  0.96677193
   0.54421189  0.10110320  0.92941497
   0.57007971  0.55822375  0.07663853
   0.85860048  0.70642338  0.29503099
   0.61527055  0.82914620  0.04047473
   0.84947518  0.96222632  0.34543542
   0.90774877  0.87226242  0.16112554
   0.65748191  0.86573158  0.23511554
   0.80905915  0.65032528  0.46930753
   0.56984790  0.57472644  0.38502205
   0.60590478  0.59483003  0.57111341
   0.82488845  0.72412664  0.80824296
   0.59222546  0.82460591  0.45849416
   0.92592889  0.96364602  0.82794043
   0.94694492  0.84670748  0.65889380
   0.69379882  0.94821439  0.74156894
   0.78815943  0.63222662  0.98006206
   0.53502391  0.68234646  0.90562864
   0.69356317  0.80931078  0.60939738
   0.50943805  0.83921929  0.42543485
   0.89004135  0.23516034  0.07373942
   0.95496888  0.39324280  0.32531227
   0.37717232  0.15248113  0.63900989
   0.24625680  0.74774991  0.77339244
   0.16536405  1.10546488  0.18347686
   0.25323357  1.07865406  0.00995916
   0.66098224  0.39598868  0.87709518
   0.96288284  0.54918051  0.64132024
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827335    0.197366   -0.064354
    -0.000000    9.878949   -0.209116
    -0.000000    0.000000   14.084964
   Si   O    H 
    32    64    10
Direct configuration=  1681
   0.17473161  0.19905018 -0.04189860
   0.36704785  0.09942578  0.37785278
   0.12582277  0.41769858  0.12403077
   0.38754373  0.34327959  0.25006102
   0.09198198  0.16106411  0.48650445
   0.43985883  0.16576201  0.85230545
   0.14205737  0.41886982  0.63352225
   0.38223855  0.40988408  0.75611655
   0.14620527  0.66841311  0.00321997
   0.40268684  0.58393625  0.35902916
   0.07289637  0.89816373  0.14406823
   0.34514663  0.83171563  0.25705156
   0.17418397  0.65391966  0.49863070
   0.38621226  0.65960155  0.86951702
   0.07258582  0.91417611  0.60319368
   0.34913672  1.01801462  0.68320012
   0.64480631  0.15308420  1.01220684
   0.86197823  0.13389553  0.34999765
   0.62836682  0.41702135  0.12481778
   0.88067379  0.30294958  0.17334422
   0.62731151  0.17366950  0.50334723
   0.88582266  0.11794278  0.86716171
   0.59229294  0.44997504  0.62364373
   0.76463920  0.37524858  0.80056503
   0.63194149  0.66706617 -0.00109927
   0.90142423  0.59547933  0.37986597
   0.57865927  0.91485328  0.13505853
   0.81802036  0.85387888  0.26257065
   0.63982176  0.65960785  0.46763804
   0.88010422  0.61990237  0.88644638
   0.62514799  0.92886280  0.64178798
   0.84980229  0.86918072  0.75457298
   0.08714619  0.06187053  0.15581432
   0.37394359  0.19160280  0.27973288
   0.12456431  0.32307196  0.03207642
   0.34113588  0.42811085  0.34747508
   0.54500742  0.36528280  0.21991200
   0.28098240  0.39071277  0.17000963
   0.23692626  0.09942585  0.44568400
   0.01735526  0.18338270  0.38172541
   0.01348226  0.04690785  0.54216802
   0.48230813  0.27719003  0.77073984
   0.11752514  0.29364436  0.55566888
   0.36453889  0.49872588  0.84858655
   0.46137589  0.49125154  0.67777909
   0.23225276  0.36170172  0.72025599
   0.30955059  0.25459033 -0.09469047
   0.03873561  0.17801770  0.89647713
   0.11063684  0.57809113  0.09591585
   0.38633123  0.67687614  0.26609313
   0.11471412  0.83215026  0.03272751
   0.37275657  0.93038819  0.34611108
   0.41763987  0.90607100  0.16362336
   0.18814402  0.85212924  0.22153744
   0.32060502  0.67061800  0.44255737
   0.06012254  0.62141489  0.41639851
   0.18817666  0.54790128  0.58009730
   0.33683404  0.73219247  0.76949366
   0.14021932  0.80835976  0.53409450
   0.37011558  1.03941274  0.79428395
   0.46266964  0.91532896  0.64032569
   0.19448898  0.96382959  0.67227719
   0.30230086  0.68419803 -0.03625742
   0.03374561  0.65455869  0.92272197
   0.60773341  0.07492488  0.10651148
   0.82609599  0.18848222  0.24659325
   0.61654622  0.30516321  0.03557596
   0.87998756  0.43662741  0.35238407
   0.02507797  0.36762034  0.20845327
   0.78129063  0.43203337  0.16029997
   0.76530953  0.18293863  0.43592334
   0.50063572  0.13030392  0.43316396
   0.66352815  0.07098054  0.58109203
   0.82282319  0.21774549  0.78818135
   0.57085846  0.31525408  0.55481464
   0.87926260  0.46455727  0.85033638
   0.99077939  0.46479491  0.66812149
   0.72116971  0.41185008  0.69321016
   0.79561793  0.11320143  0.96558391
   0.54162819  0.10246112  0.92877440
   0.57050625  0.55646451  0.07595111
   0.85834806  0.70649667  0.29505863
   0.61553353  0.82755974  0.03950662
   0.85011789  0.96303643  0.34419348
   0.90795171  0.87441243  0.16036427
   0.65450643  0.86481737  0.23551731
   0.81050491  0.64992201  0.46955845
   0.57038619  0.57290725  0.38564013
   0.60680619  0.59304934  0.56980125
   0.82586611  0.72290727  0.80771142
   0.58975527  0.82306369  0.45980218
   0.92564353  0.96323927  0.82839740
   0.94753772  0.84602991  0.66043773
   0.69520391  0.94837028  0.74163634
   0.78778386  0.63273519  0.98098296
   0.53524524  0.68171710  0.90556157
   0.69872097  0.79616261  0.60417070
   0.50551570  0.84561127  0.42884758
   0.89412981  0.23940443  0.07889030
   0.97144100  0.39939012  0.32389006
   0.38208837  0.15326701  0.63392961
   0.23588702  0.75295448  0.76713321
   0.16047016  1.11257795  0.18268886
   0.24942093  1.08345534  0.01421886
   0.66789329  0.39823662  0.87593377
   0.96254793  0.54162268  0.64592374
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827406    0.200272   -0.062567
    -0.000000    9.878590   -0.208116
    -0.000000    0.000000   14.085690
   Si   O    H 
    32    64    10
Direct configuration=  1682
   0.17543967  0.19951374 -0.04175087
   0.36803849  0.09963644  0.37775650
   0.12700126  0.41904986  0.12366799
   0.38711960  0.34523810  0.25022381
   0.09195015  0.16138037  0.48707366
   0.44050526  0.16539078  0.85249743
   0.14256472  0.41870747  0.63328801
   0.38196011  0.40997893  0.75729249
   0.14768317  0.66882745  0.00170317
   0.40295813  0.58342538  0.35880129
   0.07287693  0.89643731  0.14342598
   0.34566496  0.83218148  0.25683710
   0.17343015  0.65452970  0.49840831
   0.38698329  0.65898461  0.86861778
   0.07347984  0.91479327  0.60363449
   0.34844228  1.01808899  0.68348879
   0.64467566  0.15223607  1.01276778
   0.86069693  0.13318122  0.35140001
   0.62849940  0.41737902  0.12358441
   0.88207601  0.30264547  0.17283054
   0.62660756  0.17423544  0.50271614
   0.88727608  0.11714559  0.86831728
   0.59385148  0.44992352  0.62391088
   0.76540202  0.37481586  0.80120346
   0.63213765  0.66672772 -0.00092467
   0.90157783  0.59590070  0.38054508
   0.57794234  0.91420492  0.13511107
   0.81593448  0.85445121  0.26207847
   0.63985473  0.66024776  0.46851435
   0.88073771  0.61927331  0.88690076
   0.62683805  0.92774537  0.64148971
   0.84948807  0.86985748  0.75399386
   0.08789436  0.06394688  0.15557314
   0.37290481  0.19151456  0.28100633
   0.12195802  0.32442319  0.03209681
   0.34244433  0.43029394  0.34759617
   0.54483589  0.36414378  0.22065328
   0.27887826  0.39047773  0.16995837
   0.23824823  0.09842061  0.44598661
   0.01727119  0.18370757  0.38105207
   0.01365220  0.04619185  0.54306186
   0.48484826  0.27619646  0.77175365
   0.11878200  0.29309485  0.55609196
   0.36337619  0.49880765  0.84889273
   0.45916613  0.49003647  0.67788806
   0.23214366  0.36295527  0.72201871
   0.31014967  0.25471803 -0.09470321
   0.03773247  0.17813722  0.89643208
   0.10945585  0.57711146  0.09479517
   0.38957686  0.67666614  0.26588649
   0.11309151  0.83370015  0.03447522
   0.37153793  0.93073465  0.34673502
   0.41851745  0.90593642  0.16357623
   0.18762655  0.85223733  0.22053673
   0.32168593  0.67003470  0.44215228
   0.05963300  0.61996331  0.41713309
   0.18797463  0.54857309  0.57971405
   0.33645105  0.73129418  0.76889304
   0.13923918  0.80860081  0.53339459
   0.37037644  1.04039411  0.79513672
   0.46116346  0.91525975  0.63973117
   0.19383818  0.96219546  0.67267956
   0.30337945  0.68357743 -0.03747720
   0.03379695  0.65541157  0.92213639
   0.60697919  0.07352749  0.10630120
   0.82592527  0.18856566  0.24662504
   0.61750032  0.30600678  0.03520285
   0.88245599  0.43705072  0.35268231
   0.02590788  0.36959759  0.20943438
   0.78063705  0.43160431  0.16016356
   0.76523623  0.18468661  0.43654814
   0.50062956  0.12975663  0.43182970
   0.66442558  0.07154212  0.58050222
   0.82379193  0.21636965  0.78761917
   0.57233097  0.31458418  0.55598575
   0.87905600  0.46532304  0.85034107
   0.99138468  0.46374816  0.66890307
   0.72063692  0.41175795  0.69116939
   0.79575932  0.11441680  0.96421976
   0.53956692  0.10331445  0.92839844
   0.57117088  0.55463918  0.07525454
   0.85845879  0.70525917  0.29561966
   0.61531223  0.82562477  0.03860854
   0.84981916  0.96407929  0.34329181
   0.90755259  0.87666180  0.15980930
   0.65213603  0.86404314  0.23561370
   0.81169619  0.64944511  0.46971055
   0.57116009  0.57178638  0.38563270
   0.60774064  0.59152821  0.56882396
   0.82726402  0.72204459  0.80646666
   0.58764978  0.82179583  0.46096240
   0.92555129  0.96287273  0.82902405
   0.94839136  0.84516441  0.66166447
   0.69682793  0.94846226  0.74190191
   0.78789419  0.63380634  0.98164127
   0.53616842  0.68074423  0.90508856
   0.70158022  0.79084034  0.60195752
   0.49686096  0.85234100  0.43083067
   0.89777083  0.24580508  0.08333381
   0.98375510  0.40399086  0.32644902
   0.38164940  0.14824758  0.63025880
   0.23349467  0.75854028  0.76107836
   0.16091389  1.11774327  0.18368853
   0.23929634  1.08871801  0.01672240
   0.66892715  0.39803259  0.87585968
   0.95312236  0.56011651  0.64148095
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827343    0.202624   -0.060330
    -0.000000    9.878218   -0.207427
    -0.000000    0.000000   14.086413
   Si   O    H 
    32    64    10
Direct configuration=  1683
   0.17575363  0.19940377 -0.04159188
   0.36846567  0.09967647  0.37720837
   0.12823102  0.42035337  0.12305388
   0.38679300  0.34643236  0.25043140
   0.09239294  0.16179537  0.48724756
   0.44092076  0.16535773  0.85254415
   0.14294706  0.41840260  0.63335476
   0.38066939  0.41013619  0.75818537
   0.14920388  0.66981403  0.00045136
   0.40362727  0.58261054  0.35892311
   0.07349942  0.89469697  0.14262848
   0.34583876  0.83226430  0.25629343
   0.17294405  0.65476721  0.49800092
   0.38880176  0.65806140  0.86743401
   0.07421570  0.91534820  0.60354183
   0.34778707  1.01876311  0.68368000
   0.64502413  0.15095852  1.01278506
   0.85938502  0.13181814  0.35253253
   0.62862570  0.41714323  0.12223341
   0.88392781  0.30158101  0.17200107
   0.62544773  0.17461080  0.50222427
   0.88928006  0.11709392  0.86962227
   0.59560105  0.45044965  0.62363012
   0.76594341  0.37432367  0.80168098
   0.63141137  0.66641666 -0.00048622
   0.90189079  0.59658188  0.38140389
   0.57823543  0.91415554  0.13474105
   0.81439223  0.85411402  0.26139282
   0.63977783  0.66124036  0.46911925
   0.88138361  0.61910964  0.88782262
   0.62815693  0.92651117  0.64071774
   0.84870529  0.86988561  0.75358213
   0.08842711  0.06628393  0.15446182
   0.37123519  0.19009509  0.28245977
   0.12039248  0.32587410  0.03181702
   0.34335398  0.43297302  0.34801859
   0.54534556  0.36406466  0.22092515
   0.27683394  0.39073946  0.16916109
   0.23991166  0.09857080  0.44660906
   0.01696099  0.18341027  0.38050379
   0.01418811  0.04507398  0.54328571
   0.48730631  0.27629791  0.77289391
   0.11895704  0.29231296  0.55635437
   0.36247542  0.49878083  0.84905450
   0.45668047  0.48883198  0.67817589
   0.23169958  0.36413929  0.72362665
   0.31054807  0.25518337 -0.09440424
   0.03735829  0.17743975  0.89639942
   0.10813149  0.57703966  0.09385559
   0.39266233  0.67651195  0.26559183
   0.11154463  0.83506712  0.03651640
   0.36962595  0.93187376  0.34707269
   0.41856930  0.90618722  0.16282564
   0.18649753  0.85179601  0.22007652
   0.32285976  0.66885553  0.44246539
   0.05899199  0.61816434  0.41769514
   0.18799226  0.54956769  0.57974910
   0.33527072  0.73111526  0.76876179
   0.13845163  0.80912820  0.53213904
   0.37134366  1.04087929  0.79627723
   0.45925904  0.91509984  0.63974063
   0.19244651  0.96084464  0.67358648
   0.30365028  0.68301902 -0.03771366
   0.03350876  0.65603579  0.92074147
   0.60668513  0.07171630  0.10672571
   0.82544573  0.18958293  0.24611749
   0.61875083  0.30728103  0.03394981
   0.88514891  0.43719659  0.35325119
   0.02725677  0.37140216  0.21048669
   0.78006942  0.43159619  0.15996129
   0.76425503  0.18681355  0.43684156
   0.50047271  0.12917503  0.43086224
   0.66563275  0.07156488  0.58006552
   0.82336794  0.21584365  0.78716908
   0.57349293  0.31425817  0.55680022
   0.87983676  0.46607933  0.85009799
   0.99194488  0.46351858  0.66990805
   0.71992361  0.41222774  0.69025778
   0.79626495  0.11673265  0.96242495
   0.53687148  0.10365466  0.92776081
   0.57117915  0.55284232  0.07426884
   0.85800229  0.70387772  0.29607749
   0.61522890  0.82411726  0.03822080
   0.85003393  0.96592548  0.34290754
   0.90715807  0.87830986  0.16016355
   0.64952375  0.86338581  0.23555712
   0.81301552  0.64945050  0.46968092
   0.57203249  0.57119217  0.38606877
   0.60837325  0.58979386  0.56782539
   0.82851112  0.72142168  0.80538068
   0.58579635  0.82042785  0.46196720
   0.92592146  0.96384269  0.82992070
   0.94895627  0.84469374  0.66265333
   0.69878128  0.94830104  0.74215725
   0.78814708  0.63532848  0.98229968
   0.53634572  0.67983807  0.90478179
   0.70144811  0.79312831  0.60141148
   0.50126769  0.85493082  0.43383587
   0.90507568  0.24996162  0.08428299
   0.98400209  0.41065550  0.33078000
   0.37756177  0.14127664  0.62813413
   0.24127774  0.76098044  0.75604544
   0.15829026  1.12065644  0.18378240
   0.22548319  1.09398951  0.01799966
   0.66671497  0.39434950  0.87322763
   0.94737918  0.55934325  0.63938687
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827153    0.204155   -0.058674
    -0.000000    9.878035   -0.206377
    -0.000000    0.000000   14.086550
   Si   O    H 
    32    64    10
Direct configuration=  1684
   0.17581099  0.19978660 -0.04139864
   0.36906526  0.09881136  0.37667469
   0.12971437  0.42134770  0.12237618
   0.38654597  0.34776548  0.25072455
   0.09346793  0.16176813  0.48668437
   0.44026586  0.16557819  0.85240903
   0.14335619  0.41854192  0.63360861
   0.37933337  0.41003020  0.75878110
   0.15002732  0.67118309 -0.00064825
   0.40528326  0.58181630  0.35907852
   0.07380699  0.89353863  0.14207738
   0.34562999  0.83240448  0.25575966
   0.17225552  0.65478364  0.49754720
   0.39019308  0.65721752  0.86629679
   0.07427622  0.91660619  0.60381809
   0.34798653  1.01961872  0.68345576
   0.64583940  0.15025175  1.01261908
   0.85861073  0.13027055  0.35331336
   0.62860656  0.41729865  0.12087738
   0.88612403  0.30045681  0.17161392
   0.62458940  0.17553122  0.50130890
   0.89126031  0.11730050  0.87066821
   0.59713756  0.45106451  0.62352183
   0.76632872  0.37358856  0.80153906
   0.63054900  0.66597801  0.00014117
   0.90185341  0.59747584  0.38229778
   0.57782352  0.91466145  0.13398052
   0.81365557  0.85359212  0.26081624
   0.63986014  0.66226233  0.46975026
   0.88176659  0.61889685  0.88857994
   0.62939575  0.92542463  0.63964906
   0.84884491  0.86947348  0.75371968
   0.08799001  0.06802587  0.15339078
   0.36890487  0.18992928  0.28394105
   0.11866438  0.32690486  0.03149949
   0.34491594  0.43569181  0.34834439
   0.54517805  0.36457999  0.22136427
   0.27579695  0.39097817  0.16802156
   0.24137920  0.09889721  0.44665629
   0.01731741  0.18281110  0.38010029
   0.01514806  0.04497679  0.54320131
   0.48940512  0.27626824  0.77408831
   0.11879807  0.29141158  0.55711911
   0.36116784  0.49946588  0.84945081
   0.45448787  0.48807411  0.67839012
   0.23154946  0.36470682  0.72511299
   0.31064231  0.25596573 -0.09408634
   0.03659538  0.17703413  0.89683029
   0.10688016  0.57760808  0.09252552
   0.39513159  0.67612769  0.26531175
   0.11024190  0.83647999  0.03817663
   0.36748616  0.93243235  0.34728861
   0.41840384  0.90588372  0.16264082
   0.18566275  0.85109630  0.21975948
   0.32350983  0.66769913  0.44292991
   0.05835654  0.61648991  0.41835859
   0.18887071  0.55074429  0.57954731
   0.33461537  0.73120466  0.76866228
   0.13783537  0.80848296  0.53115459
   0.37181306  1.03993077  0.79717487
   0.45830117  0.91551892  0.63975818
   0.19074875  0.95990885  0.67509586
   0.30350142  0.68276999 -0.03747426
   0.03352621  0.65638366  0.91928130
   0.60681442  0.07028784  0.10730522
   0.82456597  0.19031836  0.24536999
   0.61964192  0.30941512  0.03315968
   0.88781578  0.43721994  0.35432416
   0.02858918  0.37301433  0.21109941
   0.77986499  0.43243839  0.15936815
   0.76255216  0.18914593  0.43729346
   0.50200878  0.12892232  0.42991360
   0.66674426  0.07144461  0.58002614
   0.82184152  0.21555148  0.78698455
   0.57418373  0.31473218  0.55775617
   0.88018048  0.46727637  0.84968831
   0.99183314  0.46340632  0.67029572
   0.71971092  0.41303383  0.69013113
   0.79683392  0.11911853  0.96067761
   0.53525595  0.10417085  0.92783933
   0.57136548  0.55194865  0.07329610
   0.85774831  0.70245252  0.29679748
   0.61469019  0.82293177  0.03817206
   0.85074071  0.96741702  0.34311274
   0.90753561  0.87988624  0.16036378
   0.64746606  0.86288648  0.23536521
   0.81371335  0.64929185  0.46982543
   0.57165425  0.57057596  0.38608086
   0.60888313  0.58908152  0.56677166
   0.82870547  0.72122495  0.80429975
   0.58366224  0.81936018  0.46269312
   0.92676654  0.96552036  0.83132672
   0.95039450  0.84422331  0.66392547
   0.70057215  0.94793606  0.74279530
   0.78823797  0.63641967  0.98255570
   0.53650098  0.67939201  0.90428563
   0.69802505  0.80154321  0.60253161
   0.50361061  0.85635067  0.43615020
   0.91077472  0.24855983  0.08119885
   0.97566777  0.41602286  0.33447429
   0.36833579  0.14008053  0.62879355
   0.25205914  0.76344810  0.75064708
   0.15944691  1.12095868  0.18330296
   0.21442054  1.09688251  0.02078436
   0.66025665  0.39535392  0.87207375
   0.94962210  0.54090048  0.64426521
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826894    0.205732   -0.057526
    -0.000000    9.877689   -0.205058
    -0.000000    0.000000   14.086600
   Si   O    H 
    32    64    10
Direct configuration=  1685
   0.17516650  0.20049756 -0.04079995
   0.36976167  0.09747221  0.37620733
   0.13146539  0.42160411  0.12205908
   0.38606408  0.34859757  0.25123988
   0.09444441  0.16213175  0.48637267
   0.43888296  0.16596090  0.85199132
   0.14343439  0.41784668  0.63398260
   0.37886910  0.40926863  0.75916921
   0.15114668  0.67208635 -0.00186299
   0.40737408  0.58113453  0.35914493
   0.07313816  0.89308642  0.14143426
   0.34523502  0.83262214  0.25512029
   0.17194738  0.65489469  0.49664327
   0.39114462  0.65642697  0.86563097
   0.07384004  0.91810834  0.60410199
   0.34786495  1.02045018  0.68336191
   0.64622663  0.15020002  1.01209030
   0.85813113  0.12876721  0.35434772
   0.62821912  0.41747328  0.12006863
   0.88800291  0.29927041  0.17139926
   0.62431381  0.17676552  0.49997387
   0.89342459  0.11787877  0.87142678
   0.59850892  0.45083318  0.62336460
   0.76692056  0.37301665  0.80143368
   0.62950731  0.66562986  0.00073431
   0.90164406  0.59905677  0.38329107
   0.57772328  0.91542830  0.13316288
   0.81303108  0.85307807  0.26023931
   0.64020548  0.66362478  0.47055119
   0.88168191  0.61911233  0.88895164
   0.63055355  0.92548359  0.63859379
   0.84903868  0.86903175  0.75457558
   0.08792543  0.06976256  0.15185183
   0.36659445  0.19006835  0.28544892
   0.11708192  0.32834747  0.03098918
   0.34585366  0.43766660  0.34838228
   0.54560546  0.36476562  0.22143244
   0.27504823  0.39134154  0.16662668
   0.24277135  0.09862378  0.44692449
   0.01775109  0.18203547  0.37979029
   0.01619833  0.04399171  0.54319709
   0.49043737  0.27594899  0.77534229
   0.11904358  0.29088740  0.55762075
   0.36074162  0.49978290  0.85004063
   0.45278954  0.48766548  0.67829867
   0.23139585  0.36568150  0.72611777
   0.31110480  0.25620839 -0.09422589
   0.03653150  0.17672347  0.89724842
   0.10562684  0.57819473  0.09103720
   0.39776393  0.67530110  0.26532968
   0.10908352  0.83784082  0.03944849
   0.36591019  0.93334291  0.34723989
   0.41771788  0.90545673  0.16261101
   0.18458624  0.84996790  0.22036659
   0.32382846  0.66621794  0.44341965
   0.05743067  0.61500226  0.41862585
   0.18991394  0.55219968  0.57911422
   0.33534572  0.73122196  0.76907406
   0.13729573  0.80799760  0.53034050
   0.37255010  1.03887877  0.79803514
   0.45833896  0.91558779  0.63962437
   0.19007361  0.95871786  0.67672515
   0.30270847  0.68329018 -0.03755609
   0.03280658  0.65678655  0.91776802
   0.60683713  0.06870713  0.10772402
   0.82431221  0.19063621  0.24445294
   0.62045119  0.31140106  0.03257660
   0.88936755  0.43794313  0.35550406
   0.03023563  0.37424848  0.21162689
   0.77965605  0.43239178  0.15914044
   0.76062137  0.19137525  0.43745335
   0.50366369  0.12923603  0.42944755
   0.66729985  0.06974196  0.58000812
   0.82136622  0.21455440  0.78679960
   0.57494584  0.31518292  0.55848043
   0.88120582  0.46844682  0.84908913
   0.99198558  0.46322136  0.67067187
   0.72042146  0.41458187  0.69084411
   0.79671593  0.12122231  0.95938899
   0.53448278  0.10400493  0.92856613
   0.57128665  0.55075916  0.07269181
   0.85709112  0.70096845  0.29717184
   0.61400038  0.82217344  0.03837650
   0.85200650  0.96798876  0.34270325
   0.90912968  0.88058191  0.16060804
   0.64653506  0.86298660  0.23535142
   0.81393249  0.65009308  0.46955399
   0.57102771  0.57023869  0.38628723
   0.60908621  0.58860787  0.56603929
   0.82898683  0.72055046  0.80327429
   0.58264687  0.81796643  0.46353334
   0.92718111  0.96755474  0.83252364
   0.95095726  0.84332230  0.66457085
   0.70260241  0.94745310  0.74290006
   0.78898965  0.63774186  0.98249226
   0.53592289  0.67899029  0.90396227
   0.69507264  0.81447983  0.60485332
   0.50114249  0.85974495  0.43504771
   0.91407703  0.24254555  0.07434961
   0.98171622  0.41522519  0.33511127
   0.35619062  0.14406433  0.63008216
   0.24701560  0.77095445  0.74296323
   0.15914691  1.11712614  0.18454025
   0.20670030  1.09397840  0.02311943
   0.65097409  0.39606602  0.87172255
   0.94926781  0.53055362  0.64689384
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826758    0.207623   -0.056512
    -0.000000    9.877409   -0.203229
    -0.000000    0.000000   14.086185
   Si   O    H 
    32    64    10
Direct configuration=  1686
   0.17460849  0.20145450 -0.04020995
   0.37024620  0.09564730  0.37595158
   0.13270507  0.42131693  0.12204523
   0.38528219  0.34930956  0.25209546
   0.09483745  0.16212453  0.48619446
   0.43707325  0.16604369  0.85152825
   0.14314199  0.41771420  0.63423858
   0.37897989  0.40880290  0.75980140
   0.15195007  0.67341614 -0.00287798
   0.40959970  0.58111870  0.35947481
   0.07292031  0.89317188  0.14115852
   0.34472600  0.83297102  0.25415066
   0.17203431  0.65523583  0.49574068
   0.39219169  0.65645315  0.86458387
   0.07352200  0.91881219  0.60452112
   0.34827574  1.02129385  0.68403739
   0.64639618  0.15014797  1.01163685
   0.85810031  0.12793183  0.35500666
   0.62802347  0.41723343  0.11908820
   0.88947779  0.29856817  0.17091604
   0.62419554  0.17773060  0.49855925
   0.89506869  0.11823452  0.87175126
   0.59900514  0.45072219  0.62308663
   0.76784587  0.37242768  0.80145582
   0.62919883  0.66535661  0.00121389
   0.90194857  0.59995052  0.38426351
   0.57729491  0.91569697  0.13245973
   0.81194410  0.85231106  0.25921917
   0.64045213  0.66498420  0.47134424
   0.88196357  0.61861226  0.88918556
   0.63100842  0.92669435  0.63798614
   0.84936465  0.86784702  0.75532169
   0.08817846  0.07100542  0.14988821
   0.36505364  0.19066949  0.28627578
   0.11551643  0.32984753  0.03014863
   0.34624327  0.44015038  0.34828148
   0.54624759  0.36444871  0.22137081
   0.27601677  0.39178949  0.16627963
   0.24369375  0.09853823  0.44769835
   0.01739352  0.18210778  0.37998169
   0.01801580  0.04358308  0.54313904
   0.49027371  0.27626628  0.77707740
   0.11974847  0.29051636  0.55806527
   0.36037936  0.50054100  0.85005276
   0.45183150  0.48691828  0.67854932
   0.23030893  0.36592087  0.72664863
   0.31110367  0.25543083 -0.09410760
   0.03719633  0.17646696  0.89762109
   0.10428806  0.57751235  0.08935889
   0.40071083  0.67441535  0.26568155
   0.10755343  0.83847989  0.04018131
   0.36439273  0.93401775  0.34723109
   0.41623000  0.90495615  0.16233099
   0.18337859  0.84873066  0.22158557
   0.32349651  0.66539935  0.44347807
   0.05651573  0.61353661  0.41844350
   0.19087481  0.55299384  0.57866989
   0.33670499  0.73166087  0.76943416
   0.13609143  0.80716983  0.52952190
   0.37278142  1.03768180  0.79858086
   0.45828169  0.91613594  0.63912112
   0.18998300  0.95807450  0.67843810
   0.30240446  0.68296898 -0.03725069
   0.03317520  0.65735138  0.91634003
   0.60711762  0.06754189  0.10790409
   0.82365531  0.19136354  0.24348213
   0.62112847  0.31348560  0.03211616
   0.89049576  0.43871940  0.35662869
   0.03171292  0.37568015  0.21184373
   0.77980951  0.43243027  0.15911883
   0.75856050  0.19402333  0.43758436
   0.50488190  0.13003550  0.42961318
   0.66712854  0.06756210  0.58009507
   0.82069403  0.21339025  0.78732971
   0.57573049  0.31571144  0.55819131
   0.88196743  0.46890503  0.84862908
   0.99352483  0.46187816  0.67161679
   0.72185385  0.41527157  0.69164707
   0.79584649  0.12294553  0.95847340
   0.53505089  0.10351094  0.92994218
   0.57098970  0.55127411  0.07199048
   0.85637194  0.69963650  0.29752284
   0.61376196  0.82215963  0.03853078
   0.85388679  0.96808831  0.34212241
   0.91000588  0.88148812  0.16121459
   0.64636510  0.86345965  0.23458924
   0.81264687  0.65120607  0.46983756
   0.57079845  0.57002349  0.38626929
   0.60884340  0.58875376  0.56613255
   0.82964813  0.71952210  0.80197508
   0.58139119  0.81719237  0.46424230
   0.92772291  0.96993467  0.83326350
   0.95126058  0.84309543  0.66504397
   0.70469763  0.94614558  0.74286160
   0.78969983  0.63846205  0.98241257
   0.53611385  0.67865350  0.90381475
   0.70250031  0.81378859  0.60436906
   0.49576883  0.86257338  0.43471128
   0.91500807  0.23815291  0.07129510
   0.98806321  0.41292324  0.33383185
   0.34123560  0.15106353  0.63157092
   0.24816130  0.77792620  0.74108645
   0.16236914  1.11496086  0.19056361
   0.20299412  1.08521338  0.02282769
   0.64626881  0.39518842  0.86836811
   0.93262066  0.54187090  0.64189033
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826389    0.210313   -0.055302
    -0.000000    9.877391   -0.201519
    -0.000000    0.000000   14.085665
   Si   O    H 
    32    64    10
Direct configuration=  1687
   0.17392054  0.20273046 -0.03935720
   0.37068507  0.09400148  0.37622067
   0.13375402  0.42125309  0.12206242
   0.38407547  0.35052400  0.25274339
   0.09545495  0.16234175  0.48622622
   0.43518092  0.16597994  0.85112967
   0.14219825  0.41800392  0.63376436
   0.37952243  0.40867300  0.76046710
   0.15203525  0.67505147 -0.00401530
   0.41123389  0.58203189  0.36019109
   0.07232996  0.89347376  0.14136189
   0.34418494  0.83334064  0.25297297
   0.17199761  0.65570143  0.49481786
   0.39263300  0.65645782  0.86342370
   0.07313806  0.91908346  0.60530839
   0.34802384  1.02260423  0.68457603
   0.64687661  0.15032280  1.01151512
   0.85827129  0.12746176  0.35522840
   0.62771643  0.41712605  0.11881734
   0.89042229  0.29835801  0.17030194
   0.62440117  0.17899057  0.49745271
   0.89595230  0.11839933  0.87178096
   0.59908312  0.45090092  0.62271270
   0.76868703  0.37220878  0.80125799
   0.62833414  0.66519685  0.00126687
   0.90239272  0.60088153  0.38465761
   0.57633626  0.91520612  0.13188191
   0.81149733  0.85089972  0.25837617
   0.64089207  0.66538493  0.47192565
   0.88176344  0.61886674  0.88921270
   0.63150163  0.92784987  0.63771083
   0.85042658  0.86648703  0.75576372
   0.08896133  0.07133636  0.14837853
   0.36390874  0.19156034  0.28714002
   0.11444098  0.33043892  0.02852442
   0.34584553  0.44188828  0.34861161
   0.54677647  0.36450613  0.22107852
   0.27750028  0.39253404  0.16550615
   0.24350194  0.09779310  0.44857640
   0.01770246  0.18249838  0.38005301
   0.02001560  0.04358136  0.54302587
   0.48944934  0.27650745  0.77868265
   0.11991436  0.29077535  0.55789151
   0.36051661  0.50126116  0.84972789
   0.45061710  0.48548923  0.67890745
   0.22948481  0.36563293  0.72660293
   0.31084036  0.25452641 -0.09416849
   0.03868334  0.17553228  0.89738076
   0.10409682  0.57619418  0.08825059
   0.40381814  0.67399589  0.26562291
   0.10691941  0.83793171  0.03979508
   0.36323634  0.93444289  0.34671874
   0.41458336  0.90515283  0.16204649
   0.18142573  0.84814537  0.22338872
   0.32249193  0.66416775  0.44304606
   0.05593069  0.61198380  0.41795039
   0.19265042  0.55257369  0.57860141
   0.33789551  0.73310974  0.76903745
   0.13475709  0.80672903  0.52849816
   0.37304891  1.03562846  0.79867457
   0.45913278  0.91601436  0.63877282
   0.19039160  0.95752263  0.68052578
   0.30185401  0.68288242 -0.03648543
   0.03472208  0.65774845  0.91516151
   0.60664037  0.06648626  0.10764736
   0.82324166  0.19243318  0.24290781
   0.62195766  0.31460486  0.03191425
   0.89277628  0.43850383  0.35742691
   0.03265506  0.37761820  0.21140377
   0.78048972  0.43159159  0.15885629
   0.75723799  0.19704929  0.43765588
   0.50727042  0.13001923  0.43024077
   0.66689783  0.06518168  0.58042595
   0.82015169  0.21301548  0.78795277
   0.57681302  0.31592460  0.55754455
   0.88310223  0.46914710  0.84819404
   0.99488800  0.46149684  0.67222502
   0.72321164  0.41644387  0.69215302
   0.79391629  0.12395511  0.95798759
   0.53615213  0.10261358  0.93149317
   0.57048637  0.55269420  0.07171279
   0.85557576  0.69888350  0.29764942
   0.61326960  0.82092046  0.03902150
   0.85564439  0.96746819  0.34113869
   0.91114237  0.88274830  0.16290797
   0.64642715  0.86487379  0.23408823
   0.81108646  0.65170588  0.47069410
   0.57124598  0.57046213  0.38639879
   0.60910449  0.58917448  0.56579907
   0.83023954  0.71866011  0.80067696
   0.57968141  0.81667962  0.46486352
   0.92750028  0.97083511  0.83388198
   0.95161683  0.84311718  0.66546053
   0.70566446  0.94533624  0.74284615
   0.79013304  0.63862346  0.98230219
   0.53720328  0.67905614  0.90349671
   0.70963701  0.80862720  0.60027360
   0.49687200  0.86040957  0.43436831
   0.91385609  0.23454932  0.06991454
   0.98918618  0.40814353  0.33092007
   0.32526803  0.15666838  0.63336170
   0.26030374  0.77884809  0.74528098
   0.15982204  1.11010395  0.19412670
   0.20191411  1.07667569  0.02005292
   0.64548093  0.39388713  0.86379615
   0.92549382  0.54188564  0.64059683
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825615    0.212674   -0.053815
    -0.000000    9.877220   -0.200143
    -0.000000    0.000000   14.084937
   Si   O    H 
    32    64    10
Direct configuration=  1688
   0.17343076  0.20404326 -0.03859918
   0.37072206  0.09249512  0.37713991
   0.13427715  0.42097225  0.12208611
   0.38301234  0.35146937  0.25341600
   0.09574377  0.16274046  0.48585283
   0.43351782  0.16620374  0.85109515
   0.14154030  0.41827971  0.63336238
   0.38063692  0.40802405  0.76089600
   0.15125703  0.67623961 -0.00481868
   0.41286357  0.58355103  0.36026968
   0.07154146  0.89401732  0.14202783
   0.34405824  0.83345689  0.25171058
   0.17189641  0.65587587  0.49316219
   0.39307254  0.65719239  0.86260327
   0.07258172  0.91971993  0.60609737
   0.34764990  1.02415090  0.68466572
   0.64762535  0.14975733  1.01126158
   0.85916293  0.12701656  0.35522977
   0.62679481  0.41744002  0.11872402
   0.89134192  0.29813632  0.16951487
   0.62439822  0.18002636  0.49693115
   0.89639863  0.11789930  0.87179500
   0.59936456  0.45117761  0.62270849
   0.76878085  0.37166186  0.80084133
   0.62709918  0.66495224  0.00186822
   0.90272890  0.60214468  0.38463462
   0.57568563  0.91433297  0.13104352
   0.81136441  0.84923428  0.25804309
   0.64138125  0.66565978  0.47223074
   0.88219490  0.61897874  0.88942360
   0.63229315  0.92940788  0.63720634
   0.85151968  0.86482751  0.75657462
   0.08980873  0.07074610  0.14748952
   0.36255157  0.19236174  0.28713094
   0.11402609  0.33067728  0.02712474
   0.34568484  0.44253831  0.34889175
   0.54651919  0.36432133  0.22008913
   0.27954255  0.39318012  0.16484346
   0.24280751  0.09803194  0.44933456
   0.01813025  0.18282287  0.38026398
   0.02201373  0.04304263  0.54268448
   0.48772486  0.27595552  0.78024785
   0.12048828  0.29166734  0.55784021
   0.36084484  0.50126679  0.85006256
   0.45035658  0.48411169  0.67936929
   0.22850875  0.36574487  0.72629407
   0.31059017  0.25354172 -0.09371115
   0.04002693  0.17473747  0.89730995
   0.10488467  0.57527318  0.08747265
   0.40478953  0.67406475  0.26516633
   0.10602184  0.83704929  0.03885121
   0.36248244  0.93456179  0.34517684
   0.41377977  0.90414933  0.16096277
   0.18026891  0.84768792  0.22514696
   0.32141150  0.66300667  0.44276765
   0.05533520  0.61030455  0.41788747
   0.19416035  0.55259435  0.57831031
   0.33991216  0.73356438  0.76839423
   0.13247438  0.80707390  0.52730889
   0.37362565  1.03355514  0.79889765
   0.46048134  0.91626398  0.63814951
   0.19138511  0.95660606  0.68224817
   0.30149316  0.68217083 -0.03579316
   0.03647815  0.65809658  0.91414965
   0.60704299  0.06532287  0.10794997
   0.82169841  0.19345872  0.24270452
   0.62307761  0.31525042  0.03158973
   0.89498973  0.43828604  0.35807441
   0.03365967  0.37965983  0.21034351
   0.78136423  0.42999234  0.15887583
   0.75643284  0.19949249  0.43737670
   0.50865876  0.13032476  0.43105377
   0.66618718  0.06352820  0.58029562
   0.81914693  0.21269499  0.78911962
   0.57701988  0.31569407  0.55685213
   0.88397276  0.46886797  0.84758284
   0.99587825  0.46132377  0.67260039
   0.72469104  0.41724002  0.69279529
   0.79202200  0.12591051  0.95753988
   0.53702322  0.10266015  0.93319311
   0.56941434  0.55382681  0.07105732
   0.85433943  0.69812996  0.29710961
   0.61275427  0.81894636  0.03960087
   0.85738625  0.96596951  0.34009250
   0.91237648  0.88335932  0.16483099
   0.64727091  0.86565880  0.23339918
   0.80870238  0.65199028  0.47179536
   0.57172482  0.57060265  0.38675809
   0.60981594  0.58892494  0.56609270
   0.83120964  0.71814124  0.79980305
   0.57839148  0.81725132  0.46517410
   0.92755710  0.97103034  0.83414796
   0.95240871  0.84410174  0.66617214
   0.70638233  0.94414937  0.74239686
   0.79051163  0.63844463  0.98212077
   0.53820266  0.67934990  0.90271150
   0.71522334  0.80144037  0.59938632
   0.49881467  0.85236099  0.43559907
   0.90776903  0.23083246  0.07163252
   0.98235566  0.40171515  0.33252732
   0.31477293  0.15533619  0.63822342
   0.26473441  0.78354629  0.74903621
   0.15445082  1.10194534  0.19398379
   0.20395211  1.07015119  0.01525200
   0.64727021  0.39257601  0.85946185
   0.92951008  0.53102676  0.64448237
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825081    0.215513   -0.052365
    -0.000000    9.876916   -0.199314
    -0.000000    0.000000   14.084499
   Si   O    H 
    32    64    10
Direct configuration=  1689
   0.17286462  0.20512518 -0.03763579
   0.37111846  0.09176118  0.37830708
   0.13526173  0.42051621  0.12248054
   0.38205716  0.35216418  0.25375654
   0.09641980  0.16292782  0.48528277
   0.43124875  0.16651179  0.85128531
   0.14044553  0.41867427  0.63253732
   0.38144557  0.40701026  0.76088094
   0.14985633  0.67778549 -0.00527535
   0.41425804  0.58549025  0.36083808
   0.07121799  0.89517536  0.14297097
   0.34436977  0.83338689  0.25055053
   0.17256225  0.65624338  0.49148943
   0.39377563  0.65754764  0.86201815
   0.07194284  0.92070012  0.60676092
   0.34723907  1.02509231  0.68493683
   0.64755535  0.14911145  1.01147761
   0.85962385  0.12698081  0.35548306
   0.62577113  0.41790086  0.11873270
   0.89203552  0.29810012  0.16850901
   0.62475434  0.18102504  0.49700915
   0.89670160  0.11749909  0.87125729
   0.59929814  0.45159097  0.62299991
   0.76890005  0.37050377  0.80043990
   0.62592960  0.66566859  0.00253791
   0.90268710  0.60267813  0.38478551
   0.57536325  0.91258240  0.13059504
   0.81163186  0.84758173  0.25756465
   0.64159567  0.66629357  0.47243305
   0.88206932  0.61830063  0.88926246
   0.63333885  0.93088683  0.63664205
   0.85289541  0.86393029  0.75792453
   0.08994188  0.06944076  0.14680864
   0.36189164  0.19232931  0.28641487
   0.11301362  0.33055411  0.02588689
   0.34562347  0.44261363  0.34976117
   0.54659357  0.36372966  0.21952006
   0.28274244  0.39342163  0.16443312
   0.24186277  0.09831468  0.45030224
   0.01762074  0.18253833  0.38101521
   0.02424891  0.04281326  0.54282828
   0.48624693  0.27595509  0.78173959
   0.12094791  0.29198486  0.55827458
   0.36181678  0.50148525  0.85034531
   0.45184144  0.48268863  0.67933017
   0.22733135  0.36571581  0.72548770
   0.31050165  0.25164977 -0.09390761
   0.04123058  0.17450573  0.89714116
   0.10481062  0.57457701  0.08662177
   0.40567190  0.67416902  0.26352761
   0.10560611  0.83552576  0.03785364
   0.36176948  0.93408182  0.34381567
   0.41332734  0.90289982  0.15983275
   0.17867862  0.84795233  0.22681943
   0.31968445  0.66163160  0.44249802
   0.05483010  0.60808782  0.41780356
   0.19590539  0.55285404  0.57836960
   0.34217034  0.73447625  0.76769735
   0.13029459  0.80776929  0.52645553
   0.37485876  1.03163173  0.79940257
   0.46184183  0.91674160  0.63810339
   0.19247489  0.95631748  0.68367886
   0.30126253  0.68171641 -0.03554533
   0.03869943  0.65802835  0.91293158
   0.60829569  0.06518224  0.10840619
   0.82047355  0.19445907  0.24329029
   0.62421276  0.31499273  0.03126508
   0.89657342  0.43740273  0.35805262
   0.03418108  0.38086453  0.20914845
   0.78112994  0.42871764  0.15900037
   0.75708438  0.20146571  0.43671170
   0.50957349  0.13067718  0.43166859
   0.66512299  0.06182762  0.58028825
   0.81886388  0.21301082  0.79042235
   0.57615538  0.31651047  0.55586588
   0.88450578  0.46858324  0.84714768
   0.99612167  0.46145668  0.67284370
   0.72640480  0.41921925  0.69376028
   0.79097063  0.12715227  0.95758153
   0.53701687  0.10277046  0.93433988
   0.56900128  0.55466616  0.07035983
   0.85351419  0.69716603  0.29659721
   0.61216737  0.81716801  0.04113709
   0.85926333  0.96450037  0.33850903
   0.91352890  0.88387260  0.16622907
   0.64832287  0.86609780  0.23201922
   0.80611783  0.65226274  0.47253630
   0.57260955  0.57126059  0.38712429
   0.61021148  0.58840181  0.56704641
   0.83292444  0.71676400  0.79873506
   0.57705406  0.81739650  0.46607793
   0.92673622  0.97079493  0.83402777
   0.95334209  0.84466870  0.66608984
   0.70693502  0.94313350  0.74169064
   0.79078800  0.63791045  0.98222685
   0.54031490  0.67879295  0.90186470
   0.71679742  0.79878016  0.60137570
   0.49562530  0.84571233  0.43366346
   0.90041416  0.23000282  0.07579796
   0.97505782  0.39770051  0.33417288
   0.30798293  0.15517518  0.64392134
   0.26100396  0.79280746  0.74998002
   0.15073733  1.09773788  0.19400115
   0.20937272  1.06822315  0.00980710
   0.65071353  0.39280876  0.85643067
   0.94039941  0.51713695  0.64850871
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824581    0.218177   -0.050770
    -0.000000    9.877012   -0.198041
    -0.000000    0.000000   14.084044
   Si   O    H 
    32    64    10
Direct configuration=  1690
   0.17219201  0.20623384 -0.03669839
   0.37191612  0.09072060  0.37923277
   0.13623956  0.42002674  0.12245770
   0.38158491  0.35252054  0.25372295
   0.09760223  0.16376610  0.48474521
   0.42964190  0.16582807  0.85200239
   0.13932978  0.41914576  0.63172708
   0.38174867  0.40568422  0.76075463
   0.14812092  0.67986999 -0.00557408
   0.41563196  0.58687552  0.36166475
   0.07133575  0.89656721  0.14427792
   0.34424335  0.83337932  0.24943012
   0.17373851  0.65641500  0.49014319
   0.39394568  0.65795706  0.86167218
   0.07134165  0.92105824  0.60687401
   0.34641507  1.02527989  0.68533674
   0.64729244  0.14845318  1.01187808
   0.85955798  0.12664727  0.35549704
   0.62483290  0.41817283  0.11868642
   0.89235751  0.29811743  0.16802888
   0.62491572  0.18197111  0.49705651
   0.89765860  0.11727982  0.87043787
   0.59928410  0.45181703  0.62315086
   0.76787449  0.36966774  0.80046726
   0.62453962  0.66620070  0.00297656
   0.90232978  0.60322191  0.38484680
   0.57514176  0.91091744  0.13041380
   0.81226275  0.84655230  0.25746170
   0.64141562  0.66642818  0.47266630
   0.88142889  0.61883888  0.88909710
   0.63416647  0.93217895  0.63596171
   0.85446171  0.86364055  0.75949971
   0.08912429  0.06753527  0.14608441
   0.36053469  0.19295546  0.28570816
   0.11170882  0.33059805  0.02469489
   0.34625401  0.44320604  0.35027580
   0.54671841  0.36372607  0.21831513
   0.28676178  0.39384997  0.16398908
   0.24077027  0.09873760  0.45113218
   0.01678546  0.18170783  0.38166530
   0.02635681  0.04211032  0.54265683
   0.48519590  0.27666974  0.78209882
   0.12110540  0.29208652  0.55837240
   0.36259139  0.50233950  0.85090260
   0.45399796  0.48166155  0.67869687
   0.22665696  0.36526849  0.72462284
   0.31023768  0.25134134 -0.09381007
   0.04299606  0.17387115  0.89718992
   0.10465345  0.57418303  0.08543109
   0.40610889  0.67440276  0.26174626
   0.10588601  0.83440826  0.03643788
   0.36186197  0.93400780  0.34307239
   0.41319612  0.90174809  0.15900897
   0.17790810  0.84791295  0.22856862
   0.31873967  0.66006227  0.44194637
   0.05504644  0.60681471  0.41817892
   0.19675901  0.55221365  0.57802125
   0.34343175  0.73490269  0.76646695
   0.12855688  0.80920775  0.52591549
   0.37554372  1.02867687  0.79988009
   0.46347864  0.91706873  0.63824526
   0.19274314  0.95644072  0.68505321
   0.30216992  0.68142450 -0.03527858
   0.04012069  0.65813560  0.91193775
   0.60937720  0.06526893  0.10841885
   0.81930390  0.19519794  0.24344077
   0.62482385  0.31428522  0.03101400
   0.89703746  0.43784458  0.35845521
   0.03444021  0.38212271  0.20781555
   0.78133979  0.42702575  0.15925175
   0.75730986  0.20319679  0.43560156
   0.51038147  0.13143728  0.43177916
   0.66492027  0.06058340  0.58005363
   0.81832751  0.21343241  0.79201416
   0.57591837  0.31654210  0.55456668
   0.88573754  0.46843706  0.84701152
   0.99653376  0.45987653  0.67408491
   0.72836661  0.42107305  0.69435476
   0.78975584  0.12756197  0.95778836
   0.53708454  0.10360344  0.93531028
   0.56789339  0.55558966  0.06980732
   0.85245428  0.69633865  0.29612574
   0.61178766  0.81550240  0.04322008
   0.86157007  0.96295604  0.33695164
   0.91374626  0.88409097  0.16802134
   0.64949248  0.86683030  0.23062391
   0.80399143  0.65165602  0.47264911
   0.57315798  0.57247044  0.38764925
   0.61006882  0.58759807  0.56820043
   0.83428090  0.71568113  0.79789625
   0.57604083  0.81739256  0.46692806
   0.92659588  0.96928559  0.83342924
   0.95458567  0.84447141  0.66530575
   0.70756453  0.94183552  0.74098379
   0.79061268  0.63729366  0.98237114
   0.54355460  0.67868048  0.90100012
   0.71306145  0.80550425  0.60422673
   0.49436249  0.83859793  0.43172027
   0.89797772  0.23043448  0.08006645
   0.97879017  0.39346374  0.33274866
   0.30475308  0.15500814  0.64992787
   0.26342989  0.79365640  0.75294350
   0.14923174  1.10279905  0.19984195
   0.21513524  1.07340937  0.00502959
   0.65375155  0.39559675  0.85615034
   0.92933455  0.52711474  0.64200256
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823933    0.220559   -0.048395
    -0.000000    9.877454   -0.196484
    -0.000000    0.000000   14.083044
   Si   O    H 
    32    64    10
Direct configuration=  1691
   0.17177294  0.20649622 -0.03621316
   0.37233167  0.09011226  0.38011392
   0.13703066  0.41973374  0.12261632
   0.38114247  0.35321566  0.25365927
   0.09896377  0.16428988  0.48403082
   0.42742083  0.16534561  0.85316862
   0.13839129  0.41952640  0.63114210
   0.38220863  0.40512840  0.76082829
   0.14597357  0.68153056 -0.00577011
   0.41645106  0.58763552  0.36237713
   0.07133172  0.89782176  0.14517049
   0.34403756  0.83391996  0.24817069
   0.17442220  0.65676685  0.48892465
   0.39423155  0.65851730  0.86146120
   0.07131799  0.92040575  0.60690636
   0.34582900  1.02472569  0.68551618
   0.64621112  0.14744793  1.01217541
   0.85982681  0.12652942  0.35561647
   0.62429285  0.41815523  0.11879742
   0.89230232  0.29791876  0.16798165
   0.62549073  0.18336268  0.49776450
   0.89812595  0.11776397  0.86941262
   0.59980067  0.45153294  0.62338311
   0.76679055  0.36922337  0.79995539
   0.62291647  0.66655094  0.00283103
   0.90213280  0.60383099  0.38451716
   0.57489368  0.90952088  0.13059162
   0.81309646  0.84546882  0.25771586
   0.64140857  0.66665762  0.47265048
   0.88110661  0.61994305  0.88848803
   0.63512092  0.93296506  0.63533979
   0.85658067  0.86341286  0.76139579
   0.08852641  0.06558602  0.14582759
   0.35848306  0.19362369  0.28529333
   0.11069502  0.33051145  0.02426448
   0.34738394  0.44335212  0.35104274
   0.54653061  0.36442788  0.21660701
   0.29111965  0.39368561  0.16374035
   0.24026530  0.09891975  0.45106733
   0.01555079  0.18083609  0.38248788
   0.02804196  0.04142222  0.54266722
   0.48450006  0.27750446  0.78230377
   0.12167592  0.29170650  0.55821034
   0.36386717  0.50344105  0.85152751
   0.45612242  0.48054800  0.67795847
   0.22638701  0.36502513  0.72402354
   0.30986377  0.25135563 -0.09419978
   0.04515000  0.17359631  0.89716249
   0.10512099  0.57402789  0.08463048
   0.40629045  0.67421710  0.26019038
   0.10619922  0.83245482  0.03563784
   0.36209703  0.93324711  0.34174477
   0.41364057  0.90122174  0.15842622
   0.17748419  0.84676483  0.22995609
   0.31786261  0.65834303  0.44168133
   0.05542231  0.60590328  0.41840888
   0.19781930  0.55137222  0.57746019
   0.34451679  0.73586461  0.76540250
   0.12748265  0.81051999  0.52588866
   0.37612549  1.02666472  0.79995209
   0.46544165  0.91733176  0.63825874
   0.19255488  0.95674952  0.68564837
   0.30359776  0.68107635 -0.03543304
   0.04096576  0.65854601  0.91118602
   0.60974028  0.06619549  0.10829384
   0.81927473  0.19589825  0.24455126
   0.62514519  0.31291079  0.03062294
   0.89735586  0.43818496  0.35895043
   0.03403950  0.38308681  0.20537498
   0.78100917  0.42597224  0.15938919
   0.75725446  0.20458133  0.43434973
   0.51094235  0.13223972  0.43195616
   0.66465371  0.06113716  0.57915792
   0.81760035  0.21290279  0.79383225
   0.57571897  0.31672457  0.55349425
   0.88619447  0.46755408  0.84632443
   0.99644966  0.45816237  0.67568685
   0.72980012  0.42251039  0.69445573
   0.78900436  0.12753569  0.95834477
   0.53670132  0.10446634  0.93587341
   0.56680328  0.55621325  0.06961928
   0.85167432  0.69614733  0.29564970
   0.61141333  0.81360328  0.04475604
   0.86382374  0.96187260  0.33546565
   0.91344862  0.88349135  0.17050957
   0.65178171  0.86814616  0.22945541
   0.80228778  0.65221325  0.47265293
   0.57424448  0.57326259  0.38859942
   0.60981096  0.58710152  0.56945140
   0.83590282  0.71450022  0.79767268
   0.57507881  0.81744801  0.46787098
   0.92698905  0.96793576  0.83329059
   0.95551294  0.84523236  0.66412297
   0.70843039  0.94066636  0.74025858
   0.79026832  0.63649226  0.98267895
   0.54559999  0.67946092  0.89987621
   0.70775662  0.81565226  0.60585464
   0.49100738  0.83068505  0.42917546
   0.89733390  0.23003680  0.08128636
   0.98533876  0.39001484  0.33327109
   0.30415809  0.15892686  0.65195819
   0.26755101  0.79204290  0.75765928
   0.14265207  1.10636643  0.20031443
   0.22183582  1.08026032  0.00299572
   0.65285526  0.40009923  0.85985145
   0.92315739  0.52886511  0.63634881
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823000    0.222504   -0.046142
    -0.000000    9.878461   -0.194773
    -0.000000    0.000000   14.082364
   Si   O    H 
    32    64    10
Direct configuration=  1692
   0.17186360  0.20705005 -0.03583134
   0.37243374  0.08977306  0.38024442
   0.13751749  0.41979918  0.12270547
   0.38095674  0.35377738  0.25348555
   0.09991831  0.16526942  0.48330860
   0.42534753  0.16480616  0.85433816
   0.13749026  0.41973463  0.63114666
   0.38249565  0.40441925  0.76059764
   0.14413061  0.68286592 -0.00587373
   0.41697637  0.58804567  0.36330059
   0.07282816  0.90018305  0.14559666
   0.34360440  0.83408703  0.24712303
   0.17493465  0.65705102  0.48794195
   0.39432429  0.65915774  0.86123552
   0.07180800  0.91960731  0.60732807
   0.34492235  1.02395246  0.68560451
   0.64552750  0.14693706  1.01263005
   0.85984517  0.12669701  0.35583088
   0.62393683  0.41847128  0.11911218
   0.89191505  0.29742721  0.16848783
   0.62594429  0.18423396  0.49872872
   0.89868818  0.11857764  0.86886058
   0.60083370  0.45143241  0.62330984
   0.76594441  0.36882333  0.79939653
   0.62156190  0.66655936  0.00265857
   0.90165570  0.60413347  0.38399710
   0.57518115  0.90846676  0.13125947
   0.81343723  0.84453952  0.25750267
   0.64152205  0.66640454  0.47316030
   0.88143625  0.62058335  0.88778091
   0.63640093  0.93344185  0.63531721
   0.85833529  0.86367200  0.76296953
   0.08843818  0.06316332  0.14558624
   0.35621522  0.19398429  0.28495960
   0.10934769  0.33100390  0.02412203
   0.34825870  0.44270255  0.35155154
   0.54560177  0.36502651  0.21500432
   0.29477052  0.39372003  0.16322472
   0.24076224  0.09970299  0.45094508
   0.01434749  0.17913498  0.38333088
   0.02946402  0.04109485  0.54243335
   0.48411266  0.27766658  0.78285710
   0.12181718  0.29175609  0.55766951
   0.36536743  0.50413579  0.85203050
   0.45868563  0.48024779  0.67704157
   0.22715502  0.36509317  0.72314924
   0.30972206  0.25146434 -0.09436970
   0.04673452  0.17345706  0.89670668
   0.10581733  0.57369104  0.08377647
   0.40656996  0.67413032  0.25926253
   0.10672208  0.83109386  0.03561636
   0.36283132  0.93253089  0.34159274
   0.41433083  0.90016368  0.15762878
   0.17777836  0.84623088  0.23058516
   0.31719363  0.65710939  0.44152513
   0.05562888  0.60478050  0.41849393
   0.19940554  0.55019975  0.57770482
   0.34588626  0.73579527  0.76491384
   0.12586581  0.81085709  0.52629649
   0.37745583  1.02504076  0.79986583
   0.46765961  0.91804243  0.63807784
   0.19245950  0.95684262  0.68617771
   0.30466353  0.68085432 -0.03552784
   0.04140597  0.65887007  0.91046776
   0.60931828  0.06748011  0.10798782
   0.81927499  0.19672400  0.24523681
   0.62589429  0.31093231  0.03045176
   0.89838460  0.43805618  0.35959427
   0.03447679  0.38368320  0.20343111
   0.78039641  0.42547676  0.15902388
   0.75772931  0.20619548  0.43273080
   0.51032944  0.13220844  0.43117636
   0.66351621  0.06256222  0.57771630
   0.81739093  0.21178174  0.79517148
   0.57559908  0.31679557  0.55248070
   0.88626819  0.46602677  0.84578351
   0.99550766  0.45702211  0.67697815
   0.73072760  0.42429930  0.69516543
   0.78874598  0.12715789  0.95861513
   0.53600168  0.10511586  0.93575371
   0.56589994  0.55608853  0.06995342
   0.85133147  0.69640476  0.29517237
   0.61076908  0.81180009  0.04629764
   0.86498182  0.96154420  0.33421208
   0.91328517  0.88170528  0.17302674
   0.65460400  0.86854134  0.22813604
   0.80172818  0.65287089  0.47236719
   0.57532448  0.57531562  0.38926677
   0.61012162  0.58849618  0.57118187
   0.83706981  0.71350912  0.79763049
   0.57393065  0.81752555  0.46862801
   0.92808861  0.96660239  0.83316097
   0.95571475  0.84577494  0.66338386
   0.70981748  0.93926572  0.73976368
   0.79006708  0.63556267  0.98325637
   0.54721416  0.68038474  0.89882061
   0.70445474  0.81809651  0.60565951
   0.49270606  0.82472011  0.42825198
   0.89512718  0.22531471  0.07871912
   0.98280366  0.38965219  0.33505164
   0.30845603  0.16292487  0.65303302
   0.26410197  0.79433039  0.76304577
   0.13160961  1.10767065  0.19903535
   0.22656719  1.08473798  0.00105495
   0.64986427  0.40364841  0.86388146
   0.93106671  0.51622581  0.63658914
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822014    0.224876   -0.044300
    -0.000000    9.879319   -0.192699
    -0.000000    0.000000   14.081881
   Si   O    H 
    32    64    10
Direct configuration=  1693
   0.17203673  0.20786297 -0.03551233
   0.37241324  0.08988964  0.37999543
   0.13835064  0.42015520  0.12269960
   0.38052721  0.35376217  0.25350721
   0.10050186  0.16625726  0.48270442
   0.42395201  0.16448848  0.85614136
   0.13713637  0.42031822  0.63123574
   0.38292301  0.40388070  0.76071666
   0.14308319  0.68375897 -0.00566730
   0.41684655  0.58796179  0.36400452
   0.07480040  0.90185978  0.14582750
   0.34336190  0.83324442  0.24586275
   0.17502025  0.65769544  0.48767968
   0.39405552  0.66022299  0.86118633
   0.07238264  0.91843626  0.60733574
   0.34426134  1.02291947  0.68581341
   0.64448885  0.14706825  1.01285007
   0.85961454  0.12770861  0.35555609
   0.62355617  0.41809774  0.11935993
   0.89106111  0.29705207  0.16916157
   0.62609709  0.18483313  0.49907078
   0.89996214  0.11921950  0.86841891
   0.60185052  0.45068348  0.62362040
   0.76585767  0.36810349  0.79915457
   0.62093445  0.66623609  0.00229920
   0.90126426  0.60412509  0.38356173
   0.57463660  0.90769821  0.13204488
   0.81364390  0.84295572  0.25715197
   0.64136023  0.66624654  0.47396013
   0.88167948  0.62071843  0.88723312
   0.63692946  0.93431023  0.63561328
   0.86002048  0.86442550  0.76404365
   0.08900520  0.06058040  0.14535968
   0.35426046  0.19364989  0.28419090
   0.10818674  0.33138835  0.02409716
   0.34871629  0.44193832  0.35153995
   0.54456750  0.36553496  0.21393187
   0.29812943  0.39380871  0.16238788
   0.24089793  0.10005292  0.45053235
   0.01318767  0.17757176  0.38429003
   0.03031078  0.04185629  0.54265171
   0.48363770  0.27681695  0.78288241
   0.12209689  0.29123729  0.55701519
   0.36671501  0.50476006  0.85213214
   0.46122918  0.47995007  0.67612518
   0.22841727  0.36526945  0.72254233
   0.30934459  0.25189227 -0.09443153
   0.04797961  0.17286941  0.89660084
   0.10726205  0.57336132  0.08310443
   0.40727247  0.67509466  0.25837546
   0.10743847  0.83074938  0.03607910
   0.36331370  0.93155346  0.34113069
   0.41468619  0.89936340  0.15669055
   0.17780695  0.84554383  0.23075448
   0.31669948  0.65653872  0.44161680
   0.05586601  0.60364148  0.41837922
   0.20100198  0.54869649  0.57812125
   0.34696366  0.73552177  0.76417414
   0.12433722  0.81072022  0.52646197
   0.37888758  1.02310035  0.80025406
   0.46929990  0.91878453  0.63817901
   0.19218595  0.95646130  0.68623803
   0.30543168  0.68084490 -0.03570060
   0.04160805  0.65910657  0.90946170
   0.60870896  0.06849901  0.10734689
   0.81984463  0.19789853  0.24660448
   0.62608031  0.30919956  0.02970571
   0.89931509  0.43808269  0.36029010
   0.03409155  0.38402743  0.20191483
   0.78034526  0.42485255  0.15789847
   0.75839198  0.20829432  0.43138361
   0.50883082  0.13166698  0.43002005
   0.66320845  0.06457385  0.57584853
   0.81730891  0.21080685  0.79643396
   0.57556466  0.31706147  0.55212506
   0.88564098  0.46464162  0.84572138
   0.99325977  0.45635156  0.67776978
   0.73042575  0.42637819  0.69562799
   0.78884518  0.12654104  0.95879134
   0.53428983  0.10612147  0.93502698
   0.56496554  0.55541346  0.07063009
   0.85102542  0.69618051  0.29484568
   0.60950407  0.81119443  0.04801756
   0.86564360  0.96201718  0.33382869
   0.91395045  0.87955339  0.17522610
   0.65747789  0.86880760  0.22725334
   0.80214785  0.65351530  0.47183346
   0.57576887  0.57692195  0.38974725
   0.61067567  0.58953008  0.57262856
   0.83736456  0.71324982  0.79803301
   0.57246874  0.81758224  0.46877530
   0.93000239  0.96479618  0.83317516
   0.95611560  0.84665960  0.66219753
   0.71115929  0.93827517  0.73892220
   0.79018438  0.63459271  0.98399969
   0.54833380  0.68134723  0.89816346
   0.70507986  0.81406832  0.60304346
   0.49437595  0.82224164  0.42836201
   0.89465646  0.22250858  0.07429020
   0.97552584  0.39147381  0.33926231
   0.31382240  0.16484218  0.65278742
   0.26536562  0.79499162  0.76879023
   0.12327165  1.10974147  0.19919392
   0.22733508  1.08550264  0.00213235
   0.64723427  0.40436509  0.86586586
   0.93957692  0.50171354  0.64050633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820860    0.227367   -0.042179
    -0.000000    9.879972   -0.190629
    -0.000000    0.000000   14.081544
   Si   O    H 
    32    64    10
Direct configuration=  1694
   0.17221893  0.20814833 -0.03510810
   0.37163683  0.09015823  0.37963247
   0.13961613  0.42091934  0.12257396
   0.38037335  0.35352767  0.25340050
   0.10069988  0.16691299  0.48240204
   0.42297294  0.16390886  0.85792680
   0.13709718  0.42106409  0.63139197
   0.38277052  0.40332489  0.76078449
   0.14225592  0.68394509 -0.00526985
   0.41620423  0.58791372  0.36443349
   0.07609889  0.90344891  0.14549427
   0.34268424  0.83250092  0.24447471
   0.17512199  0.65812348  0.48782969
   0.39392426  0.66084745  0.86136753
   0.07356899  0.91706249  0.60730833
   0.34399590  1.02275309  0.68610313
   0.64347588  0.14749116  1.01305705
   0.85994484  0.12887903  0.35519287
   0.62340102  0.41754296  0.11937310
   0.89027490  0.29651015  0.16991092
   0.62666487  0.18530940  0.49908231
   0.90080211  0.11991399  0.86829149
   0.60230770  0.44963072  0.62328450
   0.76610571  0.36696333  0.79902029
   0.62042882  0.66570577  0.00196496
   0.90099622  0.60410310  0.38314251
   0.57351557  0.90693225  0.13279222
   0.81422252  0.84196467  0.25696048
   0.64000572  0.66585152  0.47479709
   0.88284669  0.62060419  0.88700475
   0.63713661  0.93521460  0.63579184
   0.86105120  0.86429591  0.76505730
   0.08950133  0.05869020  0.14551816
   0.35241434  0.19360938  0.28384119
   0.10720454  0.33223154  0.02449308
   0.34923153  0.44127414  0.35144221
   0.54308392  0.36644060  0.21366225
   0.30077165  0.39556176  0.16131143
   0.24107741  0.09996023  0.45029577
   0.01196044  0.17613350  0.38509795
   0.03059895  0.04295460  0.54210531
   0.48236872  0.27599242  0.78311223
   0.12258914  0.29117547  0.55632050
   0.36838740  0.50450466  0.85160416
   0.46372574  0.47941475  0.67549349
   0.22965618  0.36592786  0.72141544
   0.30896304  0.25303822 -0.09442303
   0.04877369  0.17231387  0.89573441
   0.10896026  0.57289828  0.08268037
   0.40822682  0.67665391  0.25790432
   0.10785723  0.83175785  0.03716518
   0.36398764  0.93055167  0.34077944
   0.41549468  0.89822463  0.15563886
   0.17807802  0.84582382  0.23051109
   0.31627085  0.65710199  0.44139816
   0.05663563  0.60294255  0.41856872
   0.20243279  0.54759572  0.57829754
   0.34853034  0.73522276  0.76414579
   0.12354133  0.81013845  0.52613880
   0.38025419  1.02138652  0.80063788
   0.47034725  0.91956049  0.63835690
   0.19151326  0.95591903  0.68652791
   0.30596828  0.68092470 -0.03545620
   0.04150424  0.65851237  0.90844967
   0.60888548  0.06934806  0.10696842
   0.82060224  0.19949728  0.24758786
   0.62569497  0.30797630  0.02908630
   0.89947994  0.43941246  0.36103076
   0.03354805  0.38404759  0.20068546
   0.78060697  0.42464896  0.15731605
   0.75934553  0.21015009  0.42995594
   0.50762429  0.13096812  0.42960857
   0.66312169  0.06709425  0.57386026
   0.81788452  0.21085964  0.79727787
   0.57532554  0.31727754  0.55249573
   0.88438114  0.46308330  0.84603601
   0.99106370  0.45433152  0.67924892
   0.72920735  0.42805658  0.69588996
   0.78914465  0.12696887  0.95947105
   0.53220471  0.10711024  0.93443914
   0.56445505  0.55403578  0.07168721
   0.85155428  0.69598328  0.29504197
   0.60874713  0.81046407  0.04925268
   0.86506946  0.96225162  0.33352925
   0.91515339  0.87759747  0.17697866
   0.66050710  0.86936149  0.22681515
   0.80273437  0.65418578  0.47145292
   0.57525021  0.57824474  0.38986936
   0.61134785  0.59074488  0.57386861
   0.83722932  0.71321519  0.79823128
   0.57199434  0.81744636  0.46830580
   0.93223217  0.96342044  0.83277472
   0.95593510  0.84693833  0.66162893
   0.71202406  0.93715928  0.73814230
   0.78994986  0.63421309  0.98464754
   0.54998108  0.68219687  0.89727870
   0.70626884  0.80704886  0.59957342
   0.49195287  0.82473549  0.42584041
   0.89471135  0.22095752  0.07200389
   0.98479207  0.38722309  0.33907471
   0.32037447  0.16622742  0.65362085
   0.26960367  0.79601656  0.77333298
   0.11731388  1.11420822  0.19888667
   0.22727799  1.08387994  0.00465243
   0.64675013  0.40414455  0.86667828
   0.92753968  0.50380621  0.63242361
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819750    0.229591   -0.040110
    -0.000000    9.880635   -0.188227
    -0.000000    0.000000   14.081009
   Si   O    H 
    32    64    10
Direct configuration=  1695
   0.17289925  0.20828184 -0.03445415
   0.37034827  0.09100557  0.37910821
   0.14086637  0.42147415  0.12240246
   0.38100466  0.35340934  0.25303186
   0.10029380  0.16722277  0.48215297
   0.42238156  0.16263474  0.85951839
   0.13717895  0.42163175  0.63203679
   0.38231265  0.40315285  0.76059695
   0.14129245  0.68386110 -0.00475216
   0.41538835  0.58783678  0.36486552
   0.07693773  0.90416969  0.14542239
   0.34227176  0.83203152  0.24366367
   0.17451825  0.65855159  0.48856437
   0.39385383  0.66072985  0.86170574
   0.07443126  0.91570106  0.60731198
   0.34421086  1.02359147  0.68599068
   0.64261009  0.14821406  1.01327259
   0.86037723  0.12932220  0.35438408
   0.62347515  0.41669234  0.11946577
   0.88969136  0.29581844  0.17012939
   0.62800639  0.18576623  0.49878002
   0.90072135  0.12076084  0.86834282
   0.60290324  0.44858255  0.62310322
   0.76598540  0.36603539  0.79907168
   0.61968447  0.66459800  0.00165045
   0.90063267  0.60366202  0.38256218
   0.57341062  0.90640570  0.13348723
   0.81507501  0.84088613  0.25745035
   0.63861430  0.66544560  0.47600509
   0.88318475  0.61990185  0.88718369
   0.63722380  0.93567237  0.63577492
   0.86200921  0.86338533  0.76530585
   0.09066741  0.05782557  0.14487102
   0.35052608  0.19294752  0.28366028
   0.10568006  0.33378355  0.02496499
   0.35039222  0.43983811  0.35111465
   0.54161779  0.36743083  0.21358301
   0.30282248  0.39687412  0.16022136
   0.24159925  0.10007848  0.44992139
   0.01104229  0.17528054  0.38541023
   0.03095266  0.04387094  0.54202834
   0.48175354  0.27493886  0.78418553
   0.12363721  0.29134096  0.55545771
   0.37029006  0.50415148  0.85109850
   0.46514163  0.47883078  0.67553474
   0.23109178  0.36647788  0.72000176
   0.30751369  0.25460091 -0.09440677
   0.04962561  0.17256904  0.89523330
   0.11141992  0.57236979  0.08226270
   0.40855409  0.67895354  0.25732481
   0.10803116  0.83397538  0.03835698
   0.36537706  0.92997340  0.34089412
   0.41558699  0.89680727  0.15441118
   0.17786145  0.84628543  0.23031653
   0.31637153  0.65822649  0.44077300
   0.05833334  0.60320822  0.41938612
   0.20353450  0.54698652  0.57874246
   0.34937973  0.73477535  0.76419724
   0.12275633  0.80861210  0.52516500
   0.38098466  1.02029146  0.80107036
   0.47046744  0.92155824  0.63824434
   0.19108809  0.95607067  0.68639465
   0.30660952  0.67988393 -0.03539989
   0.04109149  0.65694662  0.90714995
   0.60907879  0.07023086  0.10738270
   0.82117711  0.20051259  0.24910734
   0.62482913  0.30713085  0.02825403
   0.89922212  0.44051820  0.36217426
   0.03252523  0.38343804  0.20007678
   0.78091533  0.42450459  0.15719211
   0.76015439  0.21103038  0.42852468
   0.50673298  0.13041628  0.42920647
   0.66326588  0.06916680  0.57161133
   0.81838033  0.21045164  0.79739506
   0.57551906  0.31832753  0.55305356
   0.88320633  0.46164679  0.84645829
   0.98922733  0.45303421  0.68028548
   0.72857580  0.42926042  0.69583005
   0.78975168  0.12682581  0.95998228
   0.53005055  0.10819273  0.93385362
   0.56453830  0.55271173  0.07297060
   0.85253090  0.69542061  0.29507434
   0.60910920  0.81039085  0.05000258
   0.86373325  0.96284750  0.33362181
   0.91765339  0.87603130  0.17800908
   0.66309693  0.86907116  0.22702969
   0.80305964  0.65538912  0.47165859
   0.57563160  0.57854274  0.38979688
   0.61282992  0.59233680  0.57438635
   0.83723264  0.71255880  0.79749559
   0.57048481  0.81768216  0.46773337
   0.93427233  0.96195516  0.83304368
   0.95500192  0.84752659  0.66154893
   0.71368677  0.93623385  0.73802546
   0.78999021  0.63406432  0.98562673
   0.55184903  0.68241778  0.89610876
   0.70881201  0.80360013  0.59410281
   0.49271200  0.83217100  0.42281943
   0.89671156  0.21910271  0.07411201
   0.98856155  0.39033291  0.34076313
   0.32988656  0.16328815  0.65082932
   0.27655981  0.79912873  0.77729730
   0.11574947  1.11923611  0.19986611
   0.22640674  1.08131900  0.00713981
   0.65105036  0.39724522  0.86312951
   0.92253148  0.50254145  0.62787397
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818975    0.231875   -0.038231
    -0.000000    9.881021   -0.185661
    -0.000000    0.000000   14.080283
   Si   O    H 
    32    64    10
Direct configuration=  1696
   0.17358707  0.20836304 -0.03370273
   0.36927477  0.09178695  0.37826419
   0.14236715  0.42219334  0.12174180
   0.38166410  0.35248526  0.25252604
   0.09992545  0.16722639  0.48190819
   0.42191828  0.16121829  0.86095248
   0.13715406  0.42158370  0.63251339
   0.38216124  0.40371876  0.76035549
   0.14086285  0.68362038 -0.00403655
   0.41471928  0.58757237  0.36497172
   0.07757368  0.90415964  0.14553401
   0.34168541  0.83147066  0.24319087
   0.17435146  0.65953147  0.48976635
   0.39461824  0.66065406  0.86198946
   0.07489169  0.91503944  0.60739363
   0.34425907  1.02374337  0.68595012
   0.64149352  0.14882682  1.01346180
   0.86048847  0.12977942  0.35363049
   0.62341874  0.41480238  0.11949169
   0.88856803  0.29583214  0.17035244
   0.62929995  0.18564588  0.49868905
   0.90098212  0.12125954  0.86901197
   0.60381974  0.44738453  0.62244229
   0.76580559  0.36543879  0.79886158
   0.61922056  0.66397433  0.00120608
   0.90033438  0.60256172  0.38225395
   0.57378624  0.90655397  0.13375370
   0.81543741  0.84018404  0.25799541
   0.63719592  0.66502198  0.47736602
   0.88337482  0.61862824  0.88762404
   0.63641988  0.93571917  0.63574329
   0.86206516  0.86190225  0.76514311
   0.09116909  0.05894552  0.14410712
   0.34879942  0.19212499  0.28352718
   0.10513467  0.33515828  0.02527326
   0.35021989  0.43864077  0.35098454
   0.54060464  0.36912855  0.21399573
   0.30355943  0.39860079  0.15902150
   0.24281882  0.10045407  0.44931309
   0.01064426  0.17475579  0.38514920
   0.03187201  0.04441430  0.54227838
   0.47933488  0.27372369  0.78563231
   0.12514533  0.29129799  0.55457878
   0.37106034  0.50329204  0.85066267
   0.46577411  0.47795387  0.67662209
   0.23199636  0.36611542  0.71855817
   0.30647481  0.25592144 -0.09467573
   0.05002064  0.17223162  0.89440437
   0.11429359  0.57258587  0.08170891
   0.40889375  0.68093428  0.25704796
   0.10823202  0.83679485  0.04022793
   0.36653205  0.92930999  0.34104502
   0.41524736  0.89519954  0.15355382
   0.17780367  0.84630330  0.22961230
   0.31694817  0.65904848  0.44057564
   0.06011094  0.60383559  0.41957128
   0.20416139  0.54655073  0.57827121
   0.35011635  0.73385423  0.76429558
   0.12214144  0.80728341  0.52423236
   0.38292789  1.02003959  0.80152165
   0.46976580  0.92417505  0.63850071
   0.19035325  0.95593359  0.68610097
   0.30684861  0.67994487 -0.03543936
   0.04049451  0.65551082  0.90560230
   0.60940419  0.07042997  0.10725529
   0.82277517  0.20153390  0.25029244
   0.62425454  0.30670560  0.02770772
   0.89868446  0.44083050  0.36278445
   0.03103137  0.38269584  0.20031830
   0.78062140  0.42407429  0.15690549
   0.76050367  0.21133647  0.42754718
   0.50666210  0.12992688  0.42880275
   0.66361910  0.07111292  0.57018586
   0.81862636  0.21038187  0.79627633
   0.57578716  0.32011865  0.55374467
   0.88284253  0.46071054  0.84653940
   0.98690788  0.45260068  0.68067776
   0.72785368  0.43012728  0.69562056
   0.79095577  0.12618726  0.96076031
   0.52857455  0.10973775  0.93400793
   0.56479809  0.55197699  0.07378791
   0.85312763  0.69391309  0.29529869
   0.60914469  0.81086168  0.05079999
   0.86211259  0.96445737  0.33416582
   0.92116666  0.87437793  0.17871854
   0.66499613  0.86926732  0.22709338
   0.80290230  0.65712807  0.47171979
   0.57624103  0.57962979  0.38981792
   0.61401832  0.59302663  0.57479795
   0.83739012  0.71249090  0.79713883
   0.56925380  0.81854210  0.46727508
   0.93595978  0.96108732  0.83376407
   0.95356795  0.84870226  0.66196084
   0.71455746  0.93528581  0.73819780
   0.78930280  0.63344126  0.98640310
   0.55336910  0.68197871  0.89496522
   0.70856830  0.80798527  0.59275513
   0.49809944  0.83726960  0.42522614
   0.90257897  0.21622168  0.07915690
   0.98416682  0.39945743  0.34445476
   0.33904932  0.15984192  0.64737955
   0.27772393  0.80160788  0.77806274
   0.11499849  1.11845134  0.19842029
   0.22577502  1.07857843  0.01170737
   0.65740312  0.39096459  0.86050522
   0.92693186  0.49427064  0.63243449
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818178    0.233921   -0.036218
    -0.000000    9.881674   -0.183322
    -0.000000    0.000000   14.079518
   Si   O    H 
    32    64    10
Direct configuration=  1697
   0.17448594  0.20820926 -0.03313381
   0.36789952  0.09237457  0.37701564
   0.14325554  0.42292263  0.12090600
   0.38223626  0.35171936  0.25174234
   0.09904710  0.16724791  0.48264859
   0.42179534  0.16010719  0.86155370
   0.13709706  0.42159959  0.63270628
   0.38208638  0.40447156  0.76002675
   0.14075901  0.68321891 -0.00304108
   0.41421320  0.58785885  0.36445647
   0.07801344  0.90297679  0.14606728
   0.34063153  0.83098128  0.24310533
   0.17362779  0.66046274  0.49093137
   0.39533426  0.66057296  0.86314668
   0.07540643  0.91456960  0.60750685
   0.34471474  1.02429997  0.68586707
   0.64070535  0.14931079  1.01317121
   0.86090951  0.12998276  0.35300366
   0.62434206  0.41314253  0.11962305
   0.88750913  0.29608438  0.17096428
   0.63030955  0.18594708  0.49828889
   0.90148779  0.12096017  0.87018362
   0.60578392  0.44680793  0.62184588
   0.76634903  0.36520462  0.79870413
   0.61891197  0.66343879  0.00065202
   0.90004521  0.60141088  0.38229047
   0.57433334  0.90741520  0.13445560
   0.81617380  0.83977056  0.25866942
   0.63582159  0.66460240  0.47837377
   0.88347031  0.61750956  0.88792364
   0.63579576  0.93556708  0.63524461
   0.86146243  0.86065799  0.76425673
   0.09122664  0.05976138  0.14278417
   0.34730978  0.19231327  0.28344701
   0.10541533  0.33603470  0.02576634
   0.35024161  0.43792195  0.35120853
   0.53945507  0.37065927  0.21457209
   0.30326418  0.40043230  0.15760156
   0.24368324  0.10068614  0.44890244
   0.01084340  0.17486836  0.38445727
   0.03198486  0.04509810  0.54231104
   0.47704498  0.27250624  0.78681158
   0.12608377  0.29175618  0.55396877
   0.37149260  0.50213298  0.85058868
   0.46611178  0.47629635  0.67824112
   0.23238909  0.36545685  0.71733967
   0.30461431  0.25718103 -0.09471639
   0.05024665  0.17178904  0.89363686
   0.11688858  0.57309088  0.08026864
   0.40962518  0.68261441  0.25665128
   0.10826232  0.83921487  0.04213222
   0.36779223  0.92894932  0.34133014
   0.41485918  0.89396821  0.15265421
   0.17725261  0.84600432  0.22905240
   0.31763193  0.66010096  0.43983148
   0.06131870  0.60480328  0.42008330
   0.20418125  0.54572481  0.57780990
   0.35048264  0.73329354  0.76479580
   0.12180284  0.80661721  0.52388009
   0.38489544  1.01973436  0.80178887
   0.46885267  0.92637818  0.63929391
   0.19047675  0.95550034  0.68656716
   0.30712179  0.67938678 -0.03582551
   0.04004482  0.65468937  0.90472903
   0.60955713  0.07011067  0.10678661
   0.82507324  0.20215478  0.25168859
   0.62375042  0.30653881  0.02737704
   0.89701536  0.44065657  0.36340200
   0.02923961  0.38172789  0.20055482
   0.77973718  0.42347413  0.15724315
   0.76058721  0.21181515  0.42665918
   0.50645051  0.12980972  0.42880451
   0.66346612  0.07298507  0.56876206
   0.81877332  0.21027089  0.79455163
   0.57561736  0.32061865  0.55444840
   0.88197675  0.45962846  0.84670713
   0.98471506  0.45281709  0.68106520
   0.72740093  0.43097046  0.69490197
   0.79233980  0.12549249  0.96195330
   0.52640784  0.11100077  0.93434630
   0.56536997  0.55159969  0.07433072
   0.85453010  0.69161187  0.29549529
   0.60902015  0.81083479  0.05086861
   0.86119758  0.96547963  0.33567301
   0.92501142  0.87284058  0.17895606
   0.66667109  0.87004425  0.22675926
   0.80354222  0.65888562  0.47206994
   0.57722254  0.58005793  0.38964755
   0.61498110  0.59359184  0.57552150
   0.83770842  0.71278110  0.79751077
   0.56879162  0.81890218  0.46697448
   0.93705145  0.96126270  0.83495477
   0.95227706  0.84923640  0.66319013
   0.71558666  0.93357192  0.73850473
   0.78877658  0.63338230  0.98647106
   0.55409283  0.68095741  0.89323972
   0.70783138  0.81915250  0.59488507
   0.49445860  0.84348938  0.42149412
   0.90975729  0.21635524  0.08819275
   0.98609895  0.40700652  0.34624671
   0.34699091  0.15661383  0.64247302
   0.27851405  0.80275452  0.77603197
   0.11049789  1.11472451  0.19739705
   0.22739270  1.07938776  0.01406695
   0.66175319  0.38699377  0.86162090
   0.92936110  0.48753515  0.64153611
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817618    0.236132   -0.034581
    -0.000000    9.882809   -0.180376
    -0.000000    0.000000   14.078728
   Si   O    H 
    32    64    10
Direct configuration=  1698
   0.17593189  0.20814732 -0.03264248
   0.36715706  0.09289085  0.37579879
   0.14458961  0.42335951  0.12049600
   0.38306649  0.35055546  0.25095826
   0.09846507  0.16712158  0.48353729
   0.42139965  0.15841679  0.86197479
   0.13655984  0.42158395  0.63290620
   0.38266579  0.40500726  0.75905780
   0.14102472  0.68280313 -0.00248889
   0.41328499  0.58880316  0.36382378
   0.07840913  0.90167054  0.14631397
   0.33941548  0.83058677  0.24338687
   0.17335012  0.66083454  0.49241452
   0.39588102  0.66063134  0.86465018
   0.07587642  0.91426325  0.60776850
   0.34572126  1.02449542  0.68603805
   0.63992543  0.14964872  1.01278695
   0.86141976  0.12979804  0.35204184
   0.62528610  0.41199148  0.11999310
   0.88634361  0.29649230  0.17144934
   0.63126471  0.18683386  0.49742744
   0.90180301  0.12023113  0.87112645
   0.60781068  0.44648392  0.62130549
   0.76702897  0.36463132  0.79866033
   0.61905712  0.66286179  0.00001576
   0.89990315  0.60052881  0.38275736
   0.57485333  0.90848418  0.13486305
   0.81720685  0.84001157  0.25961306
   0.63503254  0.66457158  0.47907830
   0.88297526  0.61627064  0.88821136
   0.63594705  0.93544070  0.63495955
   0.86090032  0.85949667  0.76351216
   0.09166363  0.06048643  0.14156048
   0.34597133  0.19226827  0.28329380
   0.10590645  0.33677468  0.02630316
   0.35043741  0.43685899  0.35076920
   0.53806841  0.37191752  0.21443692
   0.30305068  0.40307187  0.15591599
   0.24514953  0.10071866  0.44854456
   0.01213924  0.17486646  0.38390977
   0.03191043  0.04528728  0.54268471
   0.47511984  0.27075081  0.78736255
   0.12644513  0.29238036  0.55346702
   0.37266177  0.50108365  0.85001004
   0.46641336  0.47493050  0.67953683
   0.23352037  0.36470606  0.71661465
   0.30302075  0.25846515 -0.09449327
   0.05007761  0.17120172  0.89291565
   0.11940334  0.57326309  0.07899821
   0.41087010  0.68332459  0.25662764
   0.10810142  0.84122234  0.04388084
   0.36931409  0.92869835  0.34146154
   0.41453154  0.89253590  0.15190233
   0.17609384  0.84574728  0.22897465
   0.31861474  0.66118960  0.43941674
   0.06195813  0.60548124  0.42020606
   0.20406501  0.54541865  0.57750422
   0.35136502  0.73310660  0.76584916
   0.12157749  0.80565825  0.52379239
   0.38610976  1.01972591  0.80196922
   0.46766510  0.92847832  0.63969179
   0.19038304  0.95541702  0.68726213
   0.30685759  0.67821054 -0.03615526
   0.03921673  0.65368527  0.90432512
   0.61048988  0.06912913  0.10611521
   0.82715172  0.20384024  0.25313176
   0.62349245  0.30676682  0.02783132
   0.89519606  0.44028324  0.36359603
   0.02787504  0.38147849  0.20072143
   0.77898883  0.42248483  0.15760744
   0.76049749  0.21250482  0.42611958
   0.50550671  0.13016691  0.42882673
   0.66333605  0.07299517  0.56797436
   0.81869567  0.21007172  0.79315881
   0.57453323  0.32077659  0.55460774
   0.88038963  0.45936156  0.84683382
   0.98446325  0.45178511  0.68221838
   0.72817439  0.43162110  0.69448473
   0.79373479  0.12476510  0.96253183
   0.52388459  0.11239249  0.93469533
   0.56608485  0.55083404  0.07497612
   0.85562709  0.68957654  0.29509494
   0.60836532  0.81042113  0.05084459
   0.86055860  0.96549976  0.33726241
   0.92804580  0.87095964  0.17905018
   0.66794111  0.87119314  0.22665877
   0.80432860  0.66099669  0.47218296
   0.57767512  0.58005474  0.38973470
   0.61621012  0.59418525  0.57678761
   0.83758181  0.71229685  0.79779739
   0.56844234  0.81960865  0.46666160
   0.93728632  0.96095111  0.83611148
   0.95122892  0.84925312  0.66418154
   0.71684677  0.93287114  0.73856516
   0.78870931  0.63355246  0.98654332
   0.55410893  0.67961189  0.89188189
   0.70669646  0.83229255  0.59453184
   0.49525256  0.84707263  0.41939427
   0.91587903  0.21569862  0.09602724
   0.99190962  0.41007507  0.34486857
   0.35409931  0.15144329  0.63978339
   0.28087759  0.80221898  0.77090739
   0.10734121  1.11283897  0.20080083
   0.22634318  1.08316082  0.01402305
   0.65682996  0.38206906  0.86725034
   0.90832410  0.49468926  0.63472271
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816958    0.238286   -0.032698
    -0.000000    9.883440   -0.177522
    -0.000000    0.000000   14.077936
   Si   O    H 
    32    64    10
Direct configuration=  1699
   0.17711182  0.20891051 -0.03232776
   0.36624870  0.09372386  0.37477350
   0.14508818  0.42380739  0.12022618
   0.38400715  0.34904569  0.25031901
   0.09782567  0.16663942  0.48427886
   0.42060003  0.15699235  0.86242406
   0.13610591  0.42116189  0.63327478
   0.38315240  0.40533848  0.75837991
   0.14254378  0.68234556 -0.00191586
   0.41240958  0.58968801  0.36308327
   0.07839492  0.90088484  0.14647909
   0.33786376  0.83021428  0.24340536
   0.17299206  0.66080018  0.49411406
   0.39605742  0.66064333  0.86626207
   0.07576497  0.91419421  0.60778450
   0.34668059  1.02435274  0.68629268
   0.63934622  0.14984622  1.01184431
   0.86124630  0.12980665  0.35098708
   0.62608588  0.41104111  0.12024483
   0.88498541  0.29723089  0.17187086
   0.63230520  0.18771742  0.49639027
   0.90240167  0.11947934  0.87223046
   0.60886089  0.44653384  0.62103441
   0.76730091  0.36399596  0.79836810
   0.62039665  0.66284347 -0.00060882
   0.89944017  0.60008210  0.38388159
   0.57536853  0.90957722  0.13486110
   0.81833435  0.83999057  0.26082446
   0.63492298  0.66477826  0.47940554
   0.88201604  0.61484875  0.88853328
   0.63561352  0.93526258  0.63465634
   0.86089929  0.85860349  0.76307389
   0.09272176  0.06140377  0.14030225
   0.34480333  0.19150639  0.28316760
   0.10627656  0.33732593  0.02671191
   0.35102885  0.43587313  0.35054147
   0.53711559  0.37220259  0.21414051
   0.30166484  0.40445749  0.15397584
   0.24595216  0.10079822  0.44789995
   0.01282000  0.17438908  0.38364711
   0.03195538  0.04505560  0.54342294
   0.47341857  0.26867556  0.78818225
   0.12626702  0.29264485  0.55341505
   0.37402756  0.50012258  0.84968929
   0.46648914  0.47438679  0.68040647
   0.23451447  0.36403532  0.71585615
   0.30225639  0.25953705 -0.09419929
   0.05058215  0.17171690  0.89269586
   0.12090535  0.57332061  0.07723863
   0.41140747  0.68364822  0.25722971
   0.10777921  0.84323793  0.04471396
   0.37118642  0.92895449  0.34144989
   0.41409887  0.89107338  0.15150155
   0.17546193  0.84499249  0.22942097
   0.31920402  0.66335285  0.43932665
   0.06226977  0.60532861  0.41964196
   0.20432364  0.54598085  0.57705537
   0.35225787  0.73316983  0.76659161
   0.12063938  0.80442083  0.52422577
   0.38613595  1.02013701  0.80245146
   0.46694150  0.93065420  0.64009679
   0.19163898  0.95548110  0.68782523
   0.30623495  0.67803270 -0.03600847
   0.03887265  0.65286705  0.90397641
   0.61182765  0.06890943  0.10603917
   0.82876232  0.20471348  0.25444756
   0.62395271  0.30666062  0.02821117
   0.89361414  0.43972938  0.36394126
   0.02751326  0.38118612  0.20087435
   0.77831927  0.42207179  0.15778456
   0.76015733  0.21278346  0.42561255
   0.50534503  0.13048552  0.42873465
   0.66305516  0.07217244  0.56814690
   0.81920833  0.20940174  0.79166200
   0.57324905  0.32075657  0.55500861
   0.87981684  0.45960392  0.84689013
   0.98359040  0.45105962  0.68262566
   0.72845692  0.43184883  0.69406092
   0.79442521  0.12336727  0.96262567
   0.52302731  0.11312963  0.93519977
   0.56693537  0.54987762  0.07599707
   0.85630273  0.68827538  0.29494332
   0.60811216  0.81016965  0.05007765
   0.85952832  0.96491352  0.33889189
   0.93046476  0.86925319  0.17898186
   0.66820931  0.87262803  0.22709903
   0.80477949  0.66220822  0.47262816
   0.57790013  0.57873059  0.38966251
   0.61726962  0.59507703  0.57797132
   0.83779007  0.71166169  0.79849603
   0.56814948  0.81977394  0.46625140
   0.93711999  0.96024479  0.83695290
   0.95107620  0.84952767  0.66569003
   0.71837544  0.93234003  0.73865586
   0.78871975  0.63447806  0.98676158
   0.55470688  0.67864096  0.89073001
   0.70934753  0.83663776  0.58991804
   0.50113800  0.84710853  0.41951537
   0.92605835  0.21012066  0.09726271
   0.99133940  0.40944780  0.34347947
   0.35835836  0.14937695  0.63551646
   0.28071152  0.80362535  0.76850735
   0.10579209  1.11310870  0.20092291
   0.22812336  1.08840640  0.01641507
   0.65018147  0.37563713  0.87037713
   0.89762920  0.49756634  0.63322983
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816386    0.241174   -0.030736
    -0.000000    9.884255   -0.174377
    -0.000000    0.000000   14.077210
   Si   O    H 
    32    64    10
Direct configuration=  1700
   0.17783685  0.20922105 -0.03235006
   0.36501307  0.09481998  0.37362214
   0.14607575  0.42447064  0.12002214
   0.38437668  0.34800646  0.24978028
   0.09746871  0.16565237  0.48503216
   0.41971086  0.15552659  0.86285976
   0.13527659  0.42026773  0.63370691
   0.38407360  0.40548928  0.75782786
   0.14351728  0.68176806 -0.00152528
   0.41212549  0.59035801  0.36235502
   0.07796885  0.90018019  0.14685207
   0.33653080  0.83022871  0.24351722
   0.17247278  0.66038114  0.49596985
   0.39629074  0.66104294  0.86778552
   0.07573309  0.91375124  0.60752986
   0.34817586  1.02370543  0.68647112
   0.63879644  0.14974621  1.01136994
   0.86084653  0.12929051  0.35027417
   0.62634909  0.40994683  0.12008379
   0.88360386  0.29830447  0.17248524
   0.63329135  0.18834985  0.49493210
   0.90218577  0.11826154  0.87306825
   0.60922237  0.44629801  0.62085389
   0.76803376  0.36351529  0.79837570
   0.62166223  0.66284063 -0.00100118
   0.89953033  0.59979269  0.38493353
   0.57572103  0.91147333  0.13484168
   0.81922340  0.84053488  0.26204641
   0.63512414  0.66512992  0.47997842
   0.88133557  0.61410613  0.88881205
   0.63494916  0.93574742  0.63408042
   0.86104731  0.85866292  0.76210502
   0.09369147  0.06237777  0.13936198
   0.34312061  0.19152736  0.28291968
   0.10656232  0.33780214  0.02667702
   0.35129227  0.43577892  0.34981169
   0.53606079  0.37282866  0.21432586
   0.30110574  0.40643190  0.15298553
   0.24629750  0.10171144  0.44706160
   0.01383054  0.17381317  0.38337005
   0.03238861  0.04371906  0.54376238
   0.47153744  0.26722116  0.78863391
   0.12607186  0.29267107  0.55313067
   0.37473292  0.49989919  0.84987074
   0.46653430  0.47420233  0.68101564
   0.23511055  0.36272643  0.71505669
   0.30067163  0.26013577 -0.09424852
   0.05156167  0.17241540  0.89287113
   0.12246566  0.57308478  0.07554743
   0.41209887  0.68341047  0.25859819
   0.10740535  0.84356320  0.04499462
   0.37139677  0.92864079  0.34146885
   0.41390600  0.88922913  0.15026761
   0.17581766  0.84378733  0.22996274
   0.31984245  0.66558234  0.44005186
   0.06194024  0.60513384  0.41922423
   0.20369672  0.54586846  0.57703561
   0.35295981  0.73360334  0.76714299
   0.11922522  0.80411969  0.52521697
   0.38571999  1.02056590  0.80221668
   0.46636549  0.93213163  0.64065063
   0.19264905  0.95536696  0.68808119
   0.30588282  0.67797207 -0.03606948
   0.03838148  0.65229098  0.90398016
   0.61314916  0.06940805  0.10625030
   0.83075856  0.20577896  0.25502581
   0.62541471  0.30694205  0.02823290
   0.89255875  0.43992528  0.36417011
   0.02734735  0.38086879  0.20081477
   0.77709251  0.42132711  0.15798871
   0.75975820  0.21270496  0.42491169
   0.50490435  0.13113436  0.42863154
   0.66219332  0.07125493  0.56897041
   0.81982942  0.20797889  0.79005715
   0.57253656  0.32037524  0.55458551
   0.88002367  0.45927377  0.84726236
   0.98334742  0.45154570  0.68253168
   0.72876304  0.43189168  0.69356391
   0.79501644  0.12191727  0.96273001
   0.52332540  0.11320174  0.93655273
   0.56792167  0.54943680  0.07688883
   0.85739076  0.68723744  0.29427597
   0.60801071  0.81019198  0.04934564
   0.85874221  0.96354099  0.34094141
   0.93196848  0.86754843  0.17832764
   0.66786789  0.87396393  0.22765476
   0.80487065  0.66335613  0.47270996
   0.57665684  0.57839538  0.38942702
   0.61843598  0.59581204  0.57866419
   0.83850796  0.71098290  0.79944453
   0.56849913  0.81913665  0.46579141
   0.93728335  0.95967578  0.83780638
   0.95170914  0.85044981  0.66672739
   0.71968737  0.93194261  0.73830226
   0.78801553  0.63609978  0.98666185
   0.55631237  0.67817905  0.88988266
   0.71411306  0.83341227  0.58347205
   0.50520283  0.84736026  0.41701857
   0.93658628  0.20351911  0.09581092
   0.98313878  0.41050067  0.34244463
   0.35870921  0.15013521  0.63379146
   0.27989328  0.80448847  0.76587626
   0.10516304  1.11083323  0.19975308
   0.22827110  1.08981805  0.01797881
   0.64522168  0.37170183  0.87071439
   0.89863748  0.49057066  0.63990912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815808    0.243993   -0.028869
    -0.000000    9.885220   -0.170960
    -0.000000    0.000000   14.076762
   Si   O    H 
    32    64    10
Direct configuration=  1701
   0.17752331  0.20866281 -0.03245248
   0.36403492  0.09585135  0.37263853
   0.14654554  0.42443286  0.12021678
   0.38447611  0.34692514  0.24903971
   0.09750989  0.16448815  0.48554739
   0.41763861  0.15493664  0.86277119
   0.13426675  0.41921912  0.63421628
   0.38438692  0.40492548  0.75791721
   0.14520418  0.68180762 -0.00099003
   0.41186998  0.59122551  0.36196171
   0.07774672  0.89975501  0.14652022
   0.33539009  0.83088570  0.24382698
   0.17218551  0.65903419  0.49738478
   0.39609135  0.66108880  0.86864611
   0.07487707  0.91326599  0.60689368
   0.34912120  1.02315786  0.68651458
   0.63843740  0.15029882  1.01101008
   0.86096293  0.12900981  0.34996425
   0.62613857  0.40878470  0.11948766
   0.88248200  0.29888294  0.17268410
   0.63417009  0.18849202  0.49371641
   0.90175503  0.11684412  0.87386529
   0.60895537  0.44614129  0.62058071
   0.76809388  0.36371473  0.79844819
   0.62279263  0.66251084 -0.00137564
   0.89912383  0.59972403  0.38613853
   0.57680020  0.91295070  0.13500593
   0.82023445  0.84125045  0.26331257
   0.63566941  0.66547047  0.48051645
   0.88159795  0.61345813  0.88886058
   0.63434182  0.93610369  0.63352174
   0.86126334  0.85963901  0.76172740
   0.09434888  0.06275964  0.13823526
   0.34155319  0.19159396  0.28208888
   0.10710320  0.33769073  0.02628357
   0.35176193  0.43600790  0.34936260
   0.53562628  0.37207408  0.21427360
   0.30062392  0.40821214  0.15268525
   0.24621987  0.10273976  0.44668109
   0.01416938  0.17368828  0.38336142
   0.03239468  0.04172669  0.54370398
   0.46994271  0.26589405  0.78897921
   0.12523208  0.29282200  0.55257385
   0.37544979  0.49999052  0.84998841
   0.46638798  0.47415049  0.68180046
   0.23522368  0.36163658  0.71475109
   0.29892509  0.26009674 -0.09476301
   0.05184810  0.17331002  0.89291075
   0.12442400  0.57214296  0.07406987
   0.41133591  0.68357668  0.25993665
   0.10735806  0.84236635  0.04508908
   0.37191766  0.92806382  0.34135892
   0.41397200  0.88782423  0.14988981
   0.17693821  0.84264801  0.23054520
   0.32045984  0.66793792  0.44074789
   0.06231460  0.60503804  0.41908862
   0.20364539  0.54570819  0.57727640
   0.35349603  0.73402200  0.76769522
   0.11747780  0.80383827  0.52647158
   0.38493649  1.01994670  0.80179996
   0.46608941  0.93226652  0.64104237
   0.19416649  0.95546478  0.68801282
   0.30518654  0.67805717 -0.03629255
   0.03855872  0.65240351  0.90411783
   0.61360753  0.06895021  0.10629247
   0.83260510  0.20571660  0.25459728
   0.62672501  0.30780896  0.02834785
   0.89131608  0.44014848  0.36433766
   0.02845161  0.38109035  0.20081403
   0.77620945  0.42042040  0.15854664
   0.75951929  0.21275325  0.42435554
   0.50479273  0.13160375  0.42879736
   0.66313553  0.06993965  0.56977793
   0.82066667  0.20665137  0.78845120
   0.57237833  0.31956522  0.55421913
   0.87979866  0.46005675  0.84711980
   0.98308382  0.45217985  0.68180857
   0.72890592  0.43196294  0.69331394
   0.79500697  0.12087927  0.96273331
   0.52483508  0.11300199  0.93797404
   0.56989725  0.54909788  0.07732535
   0.85822330  0.68651861  0.29370251
   0.60792898  0.81068540  0.04806559
   0.85796456  0.96211527  0.34250305
   0.93161355  0.86510539  0.17785144
   0.66718344  0.87568774  0.22866068
   0.80479375  0.66481091  0.47283999
   0.57526927  0.57743927  0.38919142
   0.61854164  0.59554916  0.57959638
   0.83887396  0.71015810  0.80050938
   0.56943871  0.81875458  0.46525813
   0.93692005  0.95846963  0.83849266
   0.95132243  0.85090683  0.66776981
   0.72075020  0.93168554  0.73780527
   0.78698696  0.63740485  0.98595589
   0.55811829  0.67778962  0.88953184
   0.71913502  0.82907672  0.57989123
   0.50571234  0.84697173  0.41307783
   0.94139046  0.19854034  0.09658473
   0.97426733  0.41056935  0.34206011
   0.35834218  0.15118161  0.63538181
   0.28310309  0.80291082  0.76412119
   0.10767103  1.10939598  0.19840561
   0.23135992  1.09226699  0.01892025
   0.64827079  0.37155354  0.86847280
   0.90922787  0.47982641  0.65029823
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815186    0.246292   -0.026705
    -0.000000    9.886266   -0.167830
    -0.000000    0.000000   14.076412
   Si   O    H 
    32    64    10
Direct configuration=  1702
   0.17720147  0.20774732 -0.03264127
   0.36292715  0.09684234  0.37185677
   0.14653934  0.42459441  0.12030361
   0.38454464  0.34629765  0.24815606
   0.09724856  0.16344850  0.48618503
   0.41567606  0.15539992  0.86251401
   0.13279638  0.41825255  0.63436714
   0.38493008  0.40408148  0.75824267
   0.14639417  0.68237543 -0.00057845
   0.41186324  0.59170136  0.36192567
   0.07795939  0.89876755  0.14653909
   0.33429080  0.83190320  0.24370241
   0.17233694  0.65759879  0.49876611
   0.39600222  0.66122205  0.86954507
   0.07426402  0.91228024  0.60654612
   0.35033473  1.02287035  0.68664670
   0.63878842  0.15058055  1.01091765
   0.86157291  0.12930266  0.34976796
   0.62577324  0.40789140  0.11895340
   0.88156763  0.29916308  0.17286809
   0.63407033  0.18850090  0.49238712
   0.90118015  0.11591461  0.87443013
   0.60812878  0.44613978  0.62044781
   0.76741131  0.36405224  0.79829599
   0.62425368  0.66291341 -0.00158144
   0.89937473  0.60008062  0.38751317
   0.57797627  0.91437663  0.13569457
   0.82131550  0.84203683  0.26439015
   0.63668758  0.66639284  0.48065552
   0.88156812  0.61309361  0.88927672
   0.63379179  0.93662231  0.63293395
   0.86166023  0.86029623  0.76146763
   0.09497030  0.06249727  0.13749398
   0.34026207  0.19317596  0.28071995
   0.10782518  0.33682609  0.02549314
   0.35240134  0.43574415  0.34882770
   0.53550370  0.37070906  0.21402249
   0.30061076  0.41026510  0.15276853
   0.24571616  0.10399775  0.44578596
   0.01439973  0.17418453  0.38319398
   0.03301339  0.03955260  0.54370755
   0.46859988  0.26433967  0.78930194
   0.12490464  0.29249896  0.55213069
   0.37659495  0.50067678  0.85049521
   0.46691130  0.47475753  0.68208524
   0.23584090  0.36117689  0.71447540
   0.29802424  0.26006392 -0.09558785
   0.05230444  0.17499872  0.89287693
   0.12534448  0.57137682  0.07320233
   0.40982046  0.68337067  0.26100571
   0.10784892  0.84056243  0.04412022
   0.37236805  0.92753592  0.34107772
   0.41331103  0.88718974  0.14958338
   0.17752591  0.84085372  0.23070278
   0.32060345  0.67112262  0.44153532
   0.06279190  0.60608011  0.41908199
   0.20365442  0.54479053  0.57816584
   0.35359005  0.73397621  0.76903396
   0.11519120  0.80331932  0.52751121
   0.38394455  1.01946179  0.80102091
   0.46693631  0.93208860  0.64063841
   0.19580270  0.95520099  0.68798978
   0.30380630  0.67752193 -0.03597171
   0.03930411  0.65238650  0.90457203
   0.61402781  0.06855659  0.10601602
   0.83404320  0.20589046  0.25419371
   0.62718134  0.30842660  0.02914759
   0.88906552  0.44085152  0.36521028
   0.02929288  0.38060361  0.20094012
   0.77545765  0.42026782  0.15893525
   0.75877509  0.21182210  0.42397657
   0.50520586  0.13163797  0.42854340
   0.66502909  0.06853874  0.57060265
   0.82223110  0.20527563  0.78764384
   0.57273841  0.31849332  0.55341197
   0.87982415  0.46004351  0.84799940
   0.98417276  0.45234897  0.68122062
   0.72925369  0.43090017  0.69325122
   0.79521704  0.11978947  0.96217511
   0.52660669  0.11251574  0.93886868
   0.57092730  0.54890128  0.07763327
   0.85912043  0.68686154  0.29296754
   0.60771150  0.81056244  0.04673989
   0.85685508  0.96033717  0.34417732
   0.93032247  0.86270967  0.17716301
   0.66598080  0.87709366  0.22974113
   0.80515818  0.66602011  0.47326077
   0.57345361  0.57625155  0.38897077
   0.61794768  0.59505999  0.58024944
   0.83860218  0.71050539  0.80172546
   0.57020551  0.81909326  0.46530969
   0.93640302  0.95792743  0.83988087
   0.95066875  0.85125783  0.66811188
   0.72134998  0.93156589  0.73722160
   0.78643661  0.63918141  0.98542690
   0.55947103  0.67681275  0.89026883
   0.71936737  0.82722220  0.57976104
   0.50947175  0.84437205  0.41039621
   0.94100384  0.19727230  0.09921565
   0.98040624  0.40582604  0.33956658
   0.35637113  0.15369757  0.63707937
   0.28542733  0.80464196  0.76163478
   0.10913059  1.10840063  0.19947472
   0.23565267  1.09761939  0.01976231
   0.65372445  0.37196259  0.86429198
   0.90336484  0.47646232  0.65094499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814270    0.248962   -0.024574
    -0.000000    9.887647   -0.164584
    -0.000000    0.000000   14.076235
   Si   O    H 
    32    64    10
Direct configuration=  1703
   0.17659920  0.20699228 -0.03263067
   0.36224037  0.09763702  0.37143408
   0.14632606  0.42473867  0.12050275
   0.38537319  0.34569789  0.24769917
   0.09702808  0.16274883  0.48662017
   0.41365206  0.15673418  0.86206809
   0.13128861  0.41662132  0.63423256
   0.38526933  0.40335077  0.75862352
   0.14682605  0.68277782 -0.00031307
   0.41237377  0.59223934  0.36157529
   0.07861924  0.89744284  0.14699083
   0.33411868  0.83323862  0.24395574
   0.17217838  0.65621575  0.49933324
   0.39586895  0.66135345  0.87028408
   0.07345888  0.91172344  0.60657924
   0.35189004  1.02297987  0.68668095
   0.63997434  0.15068910  1.01098278
   0.86220980  0.12910154  0.34943550
   0.62566486  0.40726301  0.11848771
   0.88078428  0.29978607  0.17271006
   0.63319436  0.18834269  0.49130690
   0.90063186  0.11464465  0.87517054
   0.60651414  0.44632734  0.62076287
   0.76657836  0.36483406  0.79819511
   0.62550357  0.66327078 -0.00182650
   0.89919792  0.60006743  0.38867466
   0.57935090  0.91526094  0.13605510
   0.82180133  0.84302568  0.26532401
   0.63778220  0.66675692  0.48035390
   0.88191280  0.61305473  0.88996359
   0.63393587  0.93691524  0.63256323
   0.86191657  0.86065956  0.76133865
   0.09508889  0.06228022  0.13673967
   0.33923068  0.19494648  0.27969607
   0.10900872  0.33566686  0.02427654
   0.35284336  0.43559445  0.34784982
   0.53609751  0.36957773  0.21382903
   0.30097007  0.41182757  0.15298933
   0.24558999  0.10549043  0.44514907
   0.01495830  0.17355699  0.38281426
   0.03276075  0.03866642  0.54360628
   0.46793410  0.26286944  0.78904837
   0.12530234  0.29209101  0.55171744
   0.37745771  0.50156657  0.85140957
   0.46769967  0.47536577  0.68167454
   0.23652453  0.36113627  0.71401853
   0.29759388  0.25978539 -0.09587884
   0.05296260  0.17585770  0.89266351
   0.12556084  0.57095663  0.07305230
   0.40878567  0.68266126  0.26235645
   0.10882338  0.83842538  0.04277365
   0.37284320  0.92688924  0.34042720
   0.41294707  0.88690823  0.14940656
   0.17764117  0.83869348  0.23080508
   0.31987857  0.67471498  0.44221144
   0.06277515  0.60669852  0.41884518
   0.20312973  0.54378614  0.57901398
   0.35356669  0.73363483  0.77068848
   0.11276563  0.80208706  0.52845718
   0.38258714  1.01903497  0.80056547
   0.46838662  0.93088681  0.64047106
   0.19720742  0.95525487  0.68680034
   0.30289844  0.67749523 -0.03608810
   0.04029170  0.65188332  0.90568951
   0.61383911  0.06707089  0.10632600
   0.83570689  0.20518880  0.25357582
   0.62725036  0.30873600  0.02987981
   0.88705159  0.44214383  0.36581052
   0.03022227  0.38008351  0.20057436
   0.77432961  0.42006686  0.15893572
   0.75853696  0.21066729  0.42373830
   0.50530841  0.13233912  0.42839372
   0.66729342  0.06719117  0.57092996
   0.82348658  0.20376979  0.78695039
   0.57348754  0.31761276  0.55302258
   0.88050441  0.45968739  0.84909519
   0.98636260  0.45165934  0.68015133
   0.73074636  0.42961925  0.69330155
   0.79526033  0.11847853  0.96182968
   0.52729084  0.11068807  0.93897370
   0.57162773  0.54949518  0.07749959
   0.86094647  0.68765634  0.29212154
   0.60837329  0.81079328  0.04556069
   0.85625183  0.95948094  0.34555039
   0.92866880  0.86040922  0.17729017
   0.66511246  0.87806222  0.23038375
   0.80597419  0.66720121  0.47334490
   0.57181183  0.57531389  0.38927330
   0.61720855  0.59478979  0.58028605
   0.83795861  0.70986267  0.80262282
   0.57053702  0.81949566  0.46528876
   0.93571758  0.95716408  0.84132775
   0.95004036  0.85220515  0.66848233
   0.72162251  0.93171231  0.73644662
   0.78639941  0.64116580  0.98416537
   0.56007873  0.67585634  0.89123877
   0.71622997  0.82630508  0.58365611
   0.51411255  0.84221126  0.40956443
   0.93432044  0.20003920  0.10316542
   0.98076171  0.40577412  0.33789888
   0.35272357  0.15915241  0.64101143
   0.28363558  0.80509433  0.76049269
   0.11360448  1.11245679  0.19901717
   0.23890144  1.10053895  0.02043374
   0.65909537  0.37323240  0.86228212
   0.88865924  0.47826862  0.64769614
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812918    0.251445   -0.022571
    -0.000000    9.888980   -0.161113
    -0.000000    0.000000   14.075718
   Si   O    H 
    32    64    10
Direct configuration=  1704
   0.17582737  0.20642416 -0.03258173
   0.36226428  0.09775199  0.37087731
   0.14489573  0.42501568  0.12026884
   0.38561460  0.34506523  0.24728532
   0.09734069  0.16212966  0.48700270
   0.41168653  0.15799511  0.86135906
   0.13009367  0.41506988  0.63420433
   0.38468757  0.40228434  0.75908570
   0.14681580  0.68324387 -0.00112158
   0.41271282  0.59271076  0.36102772
   0.07878654  0.89656590  0.14724816
   0.33543500  0.83465464  0.24440491
   0.17175010  0.65498910  0.49996463
   0.39537930  0.66146192  0.87077680
   0.07286369  0.91130016  0.60725793
   0.35308896  1.02321530  0.68655369
   0.64155830  0.15139699  1.01059724
   0.86336489  0.12907336  0.34960301
   0.62548429  0.40755032  0.11809346
   0.88094177  0.30051996  0.17288852
   0.63248631  0.18840617  0.49044976
   0.89946649  0.11345356  0.87582790
   0.60430714  0.44680384  0.62135193
   0.76504452  0.36565313  0.79809414
   0.62674090  0.66325647 -0.00189707
   0.89917867  0.59966765  0.38965221
   0.58074085  0.91631451  0.13600748
   0.82267430  0.84381172  0.26641075
   0.63901616  0.66717822  0.47951423
   0.88214940  0.61304314  0.88995777
   0.63403708  0.93761059  0.63275095
   0.86310266  0.86061680  0.76147130
   0.09562486  0.06294636  0.13662712
   0.33839702  0.19651389  0.27887497
   0.11050984  0.33470895  0.02317274
   0.35351806  0.43582338  0.34624881
   0.53715506  0.36856030  0.21320293
   0.30125358  0.41274334  0.15334740
   0.24487333  0.10708770  0.44513259
   0.01539288  0.17332158  0.38289034
   0.03242716  0.03828686  0.54335939
   0.46750531  0.26165439  0.78894258
   0.12537900  0.29152418  0.55153776
   0.37857806  0.50207665  0.85193094
   0.46923429  0.47631069  0.68119459
   0.23704129  0.36109682  0.71357397
   0.29692732  0.25950433 -0.09536091
   0.05260661  0.17527255  0.89237113
   0.12648437  0.57040946  0.07364222
   0.40734614  0.68230265  0.26358506
   0.11085182  0.83674738  0.04166261
   0.37337642  0.92665374  0.33915570
   0.41241747  0.88660088  0.15032165
   0.17705770  0.83642431  0.23050958
   0.31961779  0.67791008  0.44328719
   0.06267220  0.60728812  0.41864314
   0.20306020  0.54219658  0.57998876
   0.35368285  0.73368832  0.77222972
   0.11114085  0.80061905  0.52900884
   0.38074445  1.01870266  0.80024704
   0.46905440  0.92933900  0.64052988
   0.19900696  0.95510589  0.68483666
   0.30155196  0.67813736 -0.03578972
   0.04142613  0.65192323  0.90684669
   0.61434338  0.06584118  0.10657271
   0.83713290  0.20405811  0.25288993
   0.62698602  0.30912131  0.03069225
   0.88584462  0.44376356  0.36601489
   0.03171163  0.37952214  0.20000395
   0.77303365  0.42027035  0.15852273
   0.75816115  0.21029077  0.42337217
   0.50548722  0.13321226  0.42808272
   0.66976230  0.06595571  0.57137715
   0.82476239  0.20172217  0.78619140
   0.57403084  0.31752467  0.55228536
   0.88150175  0.45946321  0.84944900
   0.98718718  0.45099168  0.67863847
   0.73236509  0.42775782  0.69409520
   0.79516915  0.11717629  0.96143478
   0.52722892  0.10944720  0.93808739
   0.57140119  0.55140946  0.07682000
   0.86362807  0.68766333  0.29211192
   0.60914818  0.81096995  0.04452681
   0.85557087  0.95890628  0.34678003
   0.92611329  0.85884539  0.17725857
   0.66364446  0.87887732  0.23072077
   0.80546429  0.66815260  0.47328336
   0.57048945  0.57424728  0.38990721
   0.61725173  0.59448329  0.58032071
   0.83693261  0.70867266  0.80314866
   0.57045102  0.81933364  0.46515954
   0.93548738  0.95655557  0.84314229
   0.95056924  0.85230458  0.66829513
   0.72072447  0.93171719  0.73550983
   0.78698146  0.64289404  0.98259397
   0.56021312  0.67509049  0.89221146
   0.70751157  0.82876767  0.58670302
   0.52120221  0.83951838  0.40879755
   0.92543616  0.20374719  0.10688378
   0.97381930  0.40766524  0.33826092
   0.35118262  0.15888450  0.64342579
   0.28455505  0.80251332  0.76216880
   0.11714005  1.11520375  0.19455946
   0.24281599  1.10194836  0.02193689
   0.65787788  0.37321998  0.86179145
   0.88550280  0.47517049  0.64631921
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811648    0.253635   -0.021122
    -0.000000    9.890230   -0.157083
    -0.000000    0.000000   14.075455
   Si   O    H 
    32    64    10
Direct configuration=  1705
   0.17462997  0.20585513 -0.03303691
   0.36212455  0.09768424  0.37022486
   0.14386525  0.42484752  0.11984259
   0.38581148  0.34477686  0.24654118
   0.09771300  0.16117771  0.48719773
   0.41001602  0.15864619  0.86107087
   0.12943528  0.41307093  0.63359606
   0.38387468  0.40165891  0.75965038
   0.14716924  0.68323710 -0.00192865
   0.41248840  0.59326052  0.36006879
   0.07954761  0.89602780  0.14716866
   0.33710106  0.83590152  0.24443590
   0.17180334  0.65364801  0.50036655
   0.39543343  0.66164608  0.87127501
   0.07204893  0.91191504  0.60795055
   0.35437567  1.02271073  0.68607079
   0.64318639  0.15156786  1.01032155
   0.86400369  0.12930344  0.34952077
   0.62545722  0.40831877  0.11805861
   0.88141575  0.30108541  0.17335316
   0.63153755  0.18858748  0.48993362
   0.89909760  0.11272754  0.87627815
   0.60233004  0.44774911  0.62173860
   0.76433622  0.36680660  0.79788692
   0.62746389  0.66319547 -0.00211024
   0.89914167  0.59945267  0.39047136
   0.58131256  0.91694701  0.13609087
   0.82344236  0.84462072  0.26719622
   0.64012059  0.66776441  0.47882631
   0.88267636  0.61303597  0.89017366
   0.63484503  0.93835507  0.63259468
   0.86404963  0.86034840  0.76190495
   0.09608935  0.06311313  0.13678045
   0.33657913  0.19850187  0.27829671
   0.11171722  0.33461086  0.02224864
   0.35481029  0.43618761  0.34440065
   0.53896758  0.36725890  0.21237447
   0.30148760  0.41307532  0.15381136
   0.24425552  0.10821734  0.44487526
   0.01618595  0.17261977  0.38279001
   0.03129785  0.03865460  0.54329539
   0.46739598  0.26152979  0.78907469
   0.12442147  0.29104604  0.55175200
   0.37986157  0.50168386  0.85218396
   0.47136775  0.47724759  0.68070183
   0.23741596  0.36136732  0.71354886
   0.29656304  0.25914293 -0.09489975
   0.05271643  0.17474301  0.89217964
   0.12700671  0.56982767  0.07473636
   0.40573279  0.68211618  0.26452997
   0.11258475  0.83523574  0.04119135
   0.37439338  0.92665488  0.33759914
   0.41192485  0.88685629  0.15129021
   0.17522483  0.83504923  0.22986752
   0.31944757  0.68115958  0.44416850
   0.06157783  0.60783763  0.41821184
   0.20275161  0.54091898  0.58086283
   0.35435151  0.73296428  0.77368254
   0.10919264  0.79918794  0.52981714
   0.37913689  1.01999368  0.80022978
   0.46980253  0.92719373  0.64071912
   0.20064668  0.95416159  0.68273328
   0.29979524  0.67918938 -0.03589527
   0.04302199  0.65168665  0.90768579
   0.61449561  0.06525131  0.10664048
   0.83801471  0.20339891  0.25242913
   0.62683753  0.30892034  0.03105301
   0.88508616  0.44455121  0.36649270
   0.03308570  0.37784882  0.19929439
   0.77099049  0.42114006  0.15849753
   0.75851320  0.21031469  0.42326383
   0.50580613  0.13330070  0.42695574
   0.67143259  0.06498668  0.57158533
   0.82707525  0.20008376  0.78569918
   0.57519893  0.31750777  0.55145905
   0.88261702  0.45857222  0.84932296
   0.98748851  0.45088228  0.67733522
   0.73331814  0.42623441  0.69460394
   0.79496643  0.11575051  0.96168472
   0.52548877  0.10781555  0.93668374
   0.57211880  0.55269880  0.07598359
   0.86590175  0.68761021  0.29238419
   0.61025881  0.81188412  0.04383693
   0.85478571  0.95852278  0.34823683
   0.92385851  0.85782619  0.17702134
   0.66212255  0.87988955  0.23068451
   0.80680093  0.66886828  0.47304225
   0.56874901  0.57316907  0.39046777
   0.61862458  0.59446714  0.57987902
   0.83547225  0.70749016  0.80367674
   0.57076120  0.81820311  0.46553314
   0.93455978  0.95591039  0.84530246
   0.95234689  0.85310074  0.66766394
   0.71975428  0.93220606  0.73467138
   0.78770047  0.64421521  0.98137972
   0.55990810  0.67442822  0.89331877
   0.69887126  0.82832438  0.59039034
   0.52295148  0.83909691  0.40391275
   0.91754631  0.20694925  0.10309172
   0.96497249  0.40779707  0.33878010
   0.35147377  0.15789319  0.64428869
   0.28381927  0.80056985  0.75919837
   0.11807941  1.12212882  0.19186284
   0.24552491  1.10192871  0.02185752
   0.65103006  0.37556145  0.86426036
   0.89708553  0.46738755  0.64558392
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810264    0.255489   -0.019874
    -0.000000    9.891527   -0.153157
    -0.000000    0.000000   14.075233
   Si   O    H 
    32    64    10
Direct configuration=  1706
   0.17446664  0.20540350 -0.03285817
   0.36275137  0.09729954  0.36962113
   0.14353253  0.42460518  0.11969043
   0.38534807  0.34472876  0.24562074
   0.09813428  0.15965408  0.48723607
   0.40889548  0.15903203  0.86072494
   0.12895438  0.41198994  0.63316654
   0.38280506  0.40141980  0.76011606
   0.14768988  0.68276512 -0.00276800
   0.41183352  0.59390571  0.35892091
   0.07967880  0.89596845  0.14707336
   0.33825762  0.83756893  0.24464969
   0.17140839  0.65264397  0.50082458
   0.39565001  0.66121634  0.87129503
   0.07146832  0.91260369  0.60865999
   0.35474278  1.02232414  0.68583137
   0.64474555  0.15138174  1.00992310
   0.86382580  0.12911265  0.34942292
   0.62525695  0.40948008  0.11849399
   0.88238253  0.30215662  0.17367669
   0.63076750  0.18779719  0.48937243
   0.89882294  0.11200783  0.87650407
   0.60035952  0.44880259  0.62221477
   0.76450208  0.36765009  0.79806033
   0.62801061  0.66330290 -0.00173876
   0.89923293  0.59932671  0.39127220
   0.58132712  0.91712699  0.13568275
   0.82452119  0.84537184  0.26728517
   0.64098920  0.66835071  0.47763325
   0.88316089  0.61342457  0.88982522
   0.63533850  0.93838920  0.63277639
   0.86513186  0.85939507  0.76292470
   0.09718130  0.06263192  0.13729494
   0.33505713  0.20014067  0.27836010
   0.11295449  0.33446443  0.02153446
   0.35545632  0.43724293  0.34245906
   0.54123418  0.36646335  0.21163861
   0.30141426  0.41337134  0.15399255
   0.24379231  0.10907007  0.44481886
   0.01777216  0.17213231  0.38324816
   0.03009380  0.04016582  0.54315691
   0.46748336  0.26216909  0.78844199
   0.12368781  0.29048282  0.55128150
   0.38052573  0.50084425  0.85213247
   0.47215276  0.47858628  0.68070280
   0.23778171  0.36140603  0.71349462
   0.29672334  0.25882550 -0.09458415
   0.05288069  0.17334297  0.89174869
   0.12804225  0.56898942  0.07588758
   0.40322993  0.68214466  0.26586816
   0.11346219  0.83460587  0.04049713
   0.37642940  0.92840102  0.33605330
   0.41228928  0.88707241  0.15223845
   0.17307515  0.83341576  0.22889990
   0.31913009  0.68409614  0.44482141
   0.06047571  0.60808796  0.41805287
   0.20161680  0.53967676  0.58179492
   0.35460039  0.73266769  0.77494012
   0.10656795  0.79764413  0.53034733
   0.37751193  1.02139199  0.80029860
   0.47083899  0.92601198  0.64081793
   0.20238465  0.95380821  0.68045088
   0.29872274  0.68059061 -0.03615986
   0.04459971  0.65127228  0.90834470
   0.61457182  0.06485767  0.10608275
   0.83812167  0.20138056  0.25249980
   0.62662653  0.30848186  0.03118333
   0.88342072  0.44475455  0.36698985
   0.03408621  0.37696561  0.19861312
   0.77053813  0.42119039  0.15855239
   0.75866906  0.21068613  0.42347026
   0.50569833  0.13409728  0.42563124
   0.67339664  0.06468827  0.57151678
   0.82962913  0.19849273  0.78558379
   0.57608755  0.31776746  0.55096799
   0.88375322  0.45799995  0.84960954
   0.98728916  0.45096733  0.67602185
   0.73368399  0.42545032  0.69473644
   0.79416110  0.11418066  0.96242435
   0.52391925  0.10659836  0.93596149
   0.57359555  0.55451785  0.07538705
   0.86793213  0.68697821  0.29311156
   0.61146020  0.81295624  0.04341387
   0.85388164  0.95788508  0.34946183
   0.92094861  0.85742318  0.17669333
   0.66115622  0.88004188  0.23052185
   0.80794272  0.66954804  0.47222342
   0.56743324  0.57218327  0.39132263
   0.61992814  0.59416112  0.57924353
   0.83417858  0.70667975  0.80390497
   0.57058688  0.81732293  0.46563080
   0.93355737  0.95520978  0.84680529
   0.95394770  0.85464818  0.66714532
   0.71939112  0.93238219  0.73360027
   0.78815539  0.64490811  0.98042614
   0.55945716  0.67329523  0.89410334
   0.69343191  0.82135530  0.59190355
   0.52548320  0.83719966  0.40236742
   0.90990010  0.20899748  0.09619493
   0.96126964  0.40567451  0.33485977
   0.35074339  0.15817814  0.64348848
   0.28626217  0.80085376  0.75871129
   0.11651157  1.12689926  0.18963818
   0.24608870  1.10298955  0.02024561
   0.64083240  0.37600168  0.86659040
   0.91160410  0.45969422  0.64723173
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809012    0.257037   -0.019022
    -0.000000    9.892665   -0.148910
    -0.000000    0.000000   14.074931
   Si   O    H 
    32    64    10
Direct configuration=  1707
   0.17464379  0.20497967 -0.03283935
   0.36289168  0.09672039  0.36960419
   0.14314727  0.42501376  0.11932292
   0.38502766  0.34510694  0.24507391
   0.09850953  0.15825647  0.48749681
   0.40774556  0.15888013  0.86042008
   0.12917230  0.41131322  0.63257169
   0.38232996  0.40125197  0.76000981
   0.14764755  0.68222001 -0.00346751
   0.41080651  0.59423722  0.35802159
   0.07924868  0.89608526  0.14678891
   0.33921932  0.83830296  0.24512309
   0.17085938  0.65181977  0.50076627
   0.39556166  0.66104693  0.87137677
   0.07146288  0.91282598  0.60884910
   0.35460039  1.02186480  0.68562756
   0.64557166  0.15036602  1.00973516
   0.86350081  0.12859070  0.34991970
   0.62534017  0.41112951  0.11928082
   0.88394077  0.30321111  0.17338592
   0.62969877  0.18641678  0.48988330
   0.89875804  0.11157216  0.87653186
   0.59899978  0.44943651  0.62299820
   0.76439912  0.36823302  0.79886352
   0.62790969  0.66404139 -0.00088977
   0.89948862  0.59915666  0.39199842
   0.58058748  0.91734738  0.13525421
   0.82473069  0.84611551  0.26693342
   0.64196537  0.66840609  0.47666875
   0.88351707  0.61398154  0.88944067
   0.63593786  0.93831955  0.63294212
   0.86593569  0.85806206  0.76429532
   0.09770634  0.06238571  0.13810261
   0.33373876  0.20187850  0.27848815
   0.11471007  0.33475086  0.02138411
   0.35525823  0.43799482  0.34078368
   0.54273644  0.36559442  0.21090132
   0.30135882  0.41370595  0.15454597
   0.24430801  0.10999461  0.44472379
   0.01921073  0.17226520  0.38339644
   0.02898829  0.04129150  0.54288403
   0.46818489  0.26299378  0.78727580
   0.12284208  0.29073636  0.55069576
   0.38104353  0.49938031  0.85191311
   0.47202402  0.47957038  0.68102997
   0.23786837  0.36037797  0.71314360
   0.29652763  0.25914735 -0.09471885
   0.05246940  0.17279013  0.89144203
   0.12810432  0.56740570  0.07756385
   0.40114493  0.68227477  0.26742147
   0.11468003  0.83422572  0.03977490
   0.37781009  0.93039553  0.33535897
   0.41301602  0.88733864  0.15228921
   0.17175291  0.83283564  0.22808081
   0.31847856  0.68703371  0.44556306
   0.06048688  0.60769274  0.41774918
   0.20000126  0.53932244  0.58321055
   0.35466094  0.73259585  0.77577884
   0.10471377  0.79609083  0.52995749
   0.37559622  1.02250325  0.80018473
   0.47206920  0.92470079  0.64104930
   0.20401069  0.95296438  0.67778103
   0.29790724  0.68270241 -0.03610562
   0.04659032  0.65118919  0.90935290
   0.61462567  0.06338603  0.10503745
   0.83763872  0.19926578  0.25221865
   0.62624367  0.30750680  0.03115550
   0.88163502  0.44450578  0.36741630
   0.03425141  0.37637586  0.19802578
   0.77099142  0.42092780  0.15904527
   0.75926413  0.21094523  0.42367522
   0.50519875  0.13434507  0.42435398
   0.67467841  0.06552416  0.57046093
   0.83159613  0.19790996  0.78568761
   0.57692021  0.31855955  0.55005603
   0.88412632  0.45679595  0.85034125
   0.98933717  0.45030102  0.67557252
   0.73401312  0.42490269  0.69521405
   0.79255159  0.11277867  0.96349221
   0.52334985  0.10571026  0.93555490
   0.57526145  0.55647625  0.07451736
   0.86937038  0.68654265  0.29321187
   0.61157754  0.81405558  0.04323710
   0.85392815  0.95782818  0.35080730
   0.91936747  0.85730514  0.17641296
   0.66107010  0.88023940  0.23019411
   0.80846099  0.66994406  0.47167203
   0.56584777  0.57170584  0.39274942
   0.62082991  0.59404712  0.57818271
   0.83325120  0.70652493  0.80373734
   0.57084663  0.81678851  0.46515706
   0.93265623  0.95403165  0.84759451
   0.95514824  0.85638807  0.66703355
   0.71944945  0.93298491  0.73237464
   0.78891809  0.64602431  0.97919564
   0.55984498  0.67241935  0.89468512
   0.68785379  0.81370286  0.59279939
   0.52888130  0.83467050  0.40439940
   0.90455397  0.20998869  0.08614690
   0.96218077  0.40241628  0.33025083
   0.34970119  0.16050625  0.64149983
   0.28870915  0.80174365  0.76010654
   0.11502105  1.12862114  0.18834730
   0.24565236  1.10083676  0.01770291
   0.63732452  0.37378970  0.86630737
   0.89870367  0.45836752  0.64010008
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807595    0.258346   -0.018084
    -0.000000    9.893715   -0.144800
    -0.000000    0.000000   14.074596
   Si   O    H 
    32    64    10
Direct configuration=  1708
   0.17449351  0.20554764 -0.03296727
   0.36309215  0.09614173  0.36995456
   0.14326752  0.42480607  0.11868106
   0.38495379  0.34576058  0.24468167
   0.09917393  0.15778215  0.48721483
   0.40734257  0.15880360  0.85976459
   0.12981417  0.41054979  0.63164130
   0.38192929  0.40043736  0.75956286
   0.14675407  0.68186767 -0.00403623
   0.40978590  0.59471942  0.35737422
   0.07881125  0.89639364  0.14645273
   0.34008493  0.83879095  0.24621012
   0.17004890  0.65080638  0.50043928
   0.39573018  0.66068006  0.87111307
   0.07155561  0.91358390  0.60853646
   0.35456340  1.02210982  0.68511595
   0.64665544  0.14891308  1.00873998
   0.86265297  0.12835096  0.35065856
   0.62480165  0.41310044  0.12006562
   0.88507868  0.30442866  0.17297598
   0.62881533  0.18478051  0.49026615
   0.89875700  0.11151542  0.87631984
   0.59817459  0.44977115  0.62350806
   0.76431531  0.36832987  0.80001981
   0.62787875  0.66441322  0.00009693
   0.89993355  0.59903754  0.39252083
   0.57958264  0.91658573  0.13501009
   0.82456338  0.84647304  0.26700226
   0.64220812  0.66832038  0.47573657
   0.88381612  0.61396924  0.88916602
   0.63645828  0.93858754  0.63339483
   0.86674601  0.85711400  0.76556035
   0.09771220  0.06200438  0.13883419
   0.33264097  0.20320701  0.27817068
   0.11581216  0.33518440  0.02161248
   0.35535377  0.43965512  0.33956651
   0.54380086  0.36480021  0.21013431
   0.30134689  0.41359731  0.15560568
   0.24560842  0.11114888  0.44435311
   0.02049637  0.17210704  0.38364359
   0.02748136  0.04191255  0.54342559
   0.46996046  0.26430508  0.78587424
   0.12241696  0.29158372  0.55010676
   0.38144189  0.49758388  0.85184483
   0.47146002  0.47979556  0.68176804
   0.23784175  0.35866149  0.71256247
   0.29603838  0.25958265 -0.09492101
   0.05183129  0.17196741  0.89169493
   0.12821635  0.56691813  0.07898093
   0.39926440  0.68379687  0.26848223
   0.11574459  0.83402140  0.03961882
   0.37898360  0.93325321  0.33457972
   0.41378568  0.88735240  0.15204067
   0.17050302  0.83191786  0.22755994
   0.31763530  0.68866432  0.44610479
   0.06036658  0.60782928  0.41723623
   0.19868146  0.53852312  0.58475981
   0.35443722  0.73213495  0.77649355
   0.10295914  0.79527637  0.52944515
   0.37290136  1.02377233  0.80020932
   0.47183513  0.92427365  0.64122053
   0.20483656  0.95242817  0.67523825
   0.29807503  0.68504081 -0.03622502
   0.04768294  0.65095237  0.91001385
   0.61508120  0.06301364  0.10324452
   0.83744868  0.19685451  0.25110663
   0.62657587  0.30725197  0.03114469
   0.87962109  0.44319245  0.36778245
   0.03385520  0.37548097  0.19754521
   0.77131356  0.42029518  0.15930263
   0.75973702  0.21029623  0.42350285
   0.50417099  0.13390968  0.42335384
   0.67611923  0.06660330  0.56901060
   0.83301983  0.19762566  0.78589920
   0.57818001  0.31938566  0.54923214
   0.88407899  0.45522270  0.85057391
   0.99045202  0.44967214  0.67509566
   0.73353851  0.42487706  0.69523206
   0.79227328  0.11100315  0.96501114
   0.52320717  0.10577048  0.93603261
   0.57696593  0.55756937  0.07295073
   0.87089367  0.68685644  0.29360077
   0.61140739  0.81399073  0.04354076
   0.85486553  0.95784278  0.35214698
   0.91803472  0.85763313  0.17619477
   0.66139640  0.87940388  0.23048455
   0.80889002  0.67048656  0.47073825
   0.56502211  0.57126266  0.39411253
   0.62178522  0.59378418  0.57678587
   0.83252791  0.70708306  0.80362207
   0.57062294  0.81611583  0.46416885
   0.93191016  0.95256224  0.84800447
   0.95570517  0.85803198  0.66762554
   0.71983784  0.93402180  0.73131728
   0.78978719  0.64711289  0.97878004
   0.55899050  0.67229971  0.89519229
   0.68555059  0.80684343  0.59347009
   0.52959337  0.83612966  0.40331710
   0.89701686  0.21292698  0.08177896
   0.95793726  0.40530229  0.32742942
   0.35163895  0.16084825  0.64060758
   0.29051219  0.80358345  0.76053789
   0.11381187  1.13164897  0.18720258
   0.24611467  1.09597527  0.01627928
   0.63954312  0.37158618  0.86577968
   0.89333392  0.45738690  0.63619145
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806420    0.259627   -0.017854
    -0.000000    9.894980   -0.140651
    -0.000000    0.000000   14.074509
   Si   O    H 
    32    64    10
Direct configuration=  1709
   0.17461994  0.20510787 -0.03352032
   0.36318310  0.09532345  0.37057379
   0.14363721  0.42481095  0.11824187
   0.38492662  0.34694543  0.24411025
   0.09982894  0.15761003  0.48668373
   0.40708561  0.15845114  0.85935160
   0.13056814  0.40990617  0.63092315
   0.38161130  0.40036929  0.75931327
   0.14562504  0.68152625 -0.00435338
   0.40852163  0.59497718  0.35752925
   0.07828835  0.89697717  0.14623974
   0.34015620  0.83883151  0.24759649
   0.16901210  0.64996738  0.49972254
   0.39594725  0.65979900  0.87081532
   0.07192280  0.91435582  0.60777484
   0.35378234  1.02262030  0.68508187
   0.64683791  0.14667443  1.00759093
   0.86222563  0.12870763  0.35121209
   0.62396272  0.41536658  0.12069408
   0.88633607  0.30546813  0.17229561
   0.62791302  0.18281071  0.49051319
   0.89899687  0.11134585  0.87591826
   0.59820409  0.45022741  0.62384967
   0.76420113  0.36742881  0.80086088
   0.62786200  0.66519021  0.00067380
   0.90049233  0.59849504  0.39251469
   0.57892437  0.91553651  0.13424682
   0.82477751  0.84664572  0.26706373
   0.64217051  0.66779101  0.47490566
   0.88441425  0.61392905  0.88902094
   0.63680341  0.93840636  0.63393042
   0.86736365  0.85650752  0.76666605
   0.09813527  0.06131248  0.13955137
   0.33214083  0.20324532  0.27809577
   0.11667408  0.33558667  0.02190468
   0.35545599  0.44147422  0.33843604
   0.54491866  0.36395947  0.20931738
   0.30126209  0.41264995  0.15634363
   0.24623665  0.11203039  0.44443006
   0.02174755  0.17081457  0.38394936
   0.02569020  0.04186170  0.54386651
   0.47230557  0.26519500  0.78513268
   0.12166859  0.29258147  0.55027544
   0.38155159  0.49553283  0.85246816
   0.46984794  0.47941995  0.68254610
   0.23842018  0.35803047  0.71213127
   0.29550318  0.25975432 -0.09513335
   0.05122193  0.17172808  0.89220508
   0.12786212  0.56726014  0.08004626
   0.39750872  0.68546348  0.26900322
   0.11617205  0.83409832  0.03985241
   0.37998681  0.93598605  0.33373812
   0.41580819  0.88802546  0.15226244
   0.16974301  0.83150917  0.22704292
   0.31680274  0.68873528  0.44645380
   0.06088470  0.60803230  0.41678603
   0.19718027  0.53844836  0.58561653
   0.35494082  0.73273269  0.77717752
   0.10137453  0.79449079  0.52984796
   0.37087983  1.02471832  0.80072388
   0.47211383  0.92367040  0.64147003
   0.20537741  0.95300212  0.67311742
   0.29930446  0.68747874 -0.03630475
   0.04839047  0.65103474  0.91029153
   0.61502008  0.06362916  0.10100047
   0.83802281  0.19491751  0.24986425
   0.62657550  0.30627392  0.03054744
   0.87778989  0.44225534  0.36791037
   0.03367679  0.37416138  0.19724585
   0.77135790  0.42026321  0.15992754
   0.76077483  0.20980091  0.42328924
   0.50345278  0.13295494  0.42231289
   0.67779405  0.06840822  0.56749305
   0.83414467  0.19842376  0.78637852
   0.57912022  0.32062709  0.54861963
   0.88377244  0.45450483  0.85060760
   0.99102225  0.44926091  0.67432690
   0.73240999  0.42443191  0.69486082
   0.79198488  0.10950183  0.96641932
   0.52269690  0.10643549  0.93709475
   0.57826388  0.55802202  0.07184045
   0.87170032  0.68738233  0.29479287
   0.61194495  0.81407455  0.04429147
   0.85562209  0.95715259  0.35334089
   0.91812103  0.85758217  0.17556480
   0.66197827  0.87777426  0.23089662
   0.80864264  0.67118236  0.47035270
   0.56484279  0.57106582  0.39597748
   0.62316615  0.59268509  0.57476925
   0.83143765  0.70697689  0.80337924
   0.57095667  0.81626581  0.46358763
   0.93119930  0.95115688  0.84769630
   0.95614454  0.85880091  0.66879976
   0.72089235  0.93531308  0.73085462
   0.79081014  0.64729061  0.97821524
   0.55872804  0.67218145  0.89547181
   0.68360652  0.80315136  0.59427743
   0.52815138  0.83954591  0.40299467
   0.89224551  0.21865930  0.08029029
   0.95186684  0.41019092  0.32911213
   0.35298852  0.15820962  0.63924265
   0.29126979  0.80688355  0.76250200
   0.11444301  1.13359481  0.18564683
   0.24619288  1.09335557  0.01459038
   0.64465155  0.36947068  0.86366893
   0.90023108  0.45452277  0.63857206
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805851    0.260482   -0.017375
    -0.000000    9.896566   -0.136871
    -0.000000    0.000000   14.074453
   Si   O    H 
    32    64    10
Direct configuration=  1710
   0.17507097  0.20457794 -0.03398054
   0.36323193  0.09468774  0.37082385
   0.14384317  0.42425963  0.11807328
   0.38487784  0.34808692  0.24378378
   0.10098230  0.15750137  0.48562976
   0.40731881  0.15778971  0.85930419
   0.13160279  0.40897448  0.63022683
   0.38130886  0.40025665  0.75881915
   0.14459328  0.68101038 -0.00443888
   0.40731763  0.59491282  0.35787956
   0.07758407  0.89806167  0.14585716
   0.34036346  0.83833848  0.24812690
   0.16801543  0.64974982  0.49854804
   0.39604842  0.65911103  0.87069233
   0.07284089  0.91492870  0.60711596
   0.35308004  1.02315917  0.68492518
   0.64687633  0.14452798  1.00628571
   0.86150932  0.12892236  0.35174188
   0.62301329  0.41823972  0.12098132
   0.88707000  0.30661010  0.17131101
   0.62669545  0.18109759  0.49055925
   0.89924641  0.11145099  0.87550788
   0.59832388  0.45038926  0.62394095
   0.76435305  0.36619827  0.80145748
   0.62809977  0.66585763  0.00120043
   0.90130705  0.59809733  0.39225819
   0.57849165  0.91459048  0.13315027
   0.82407026  0.84682335  0.26741201
   0.64237550  0.66777936  0.47452870
   0.88527026  0.61370352  0.88842784
   0.63770467  0.93782710  0.63443025
   0.86736093  0.85710806  0.76739362
   0.09768247  0.06019305  0.14006411
   0.33210941  0.20143988  0.27826592
   0.11746690  0.33627503  0.02221632
   0.35521164  0.44335132  0.33742529
   0.54529772  0.36274625  0.20880869
   0.30048622  0.41164398  0.15763040
   0.24700852  0.11312925  0.44470291
   0.02277475  0.16971051  0.38356155
   0.02316870  0.04151242  0.54421775
   0.47384352  0.26589807  0.78513830
   0.12030190  0.29267629  0.55014447
   0.38202587  0.49423845  0.85347299
   0.46802684  0.47915013  0.68379187
   0.23890547  0.35707166  0.71191867
   0.29534477  0.25940291 -0.09537705
   0.05065269  0.17129023  0.89248051
   0.12811354  0.56996644  0.08098042
   0.39593458  0.68789750  0.26930408
   0.11648115  0.83390610  0.04052725
   0.38109334  0.93940185  0.33309184
   0.41838659  0.88895289  0.15267987
   0.16986140  0.83185665  0.22699824
   0.31575608  0.68837182  0.44676140
   0.06119561  0.60837134  0.41693943
   0.19589683  0.53884497  0.58615792
   0.35592777  0.73310970  0.77766974
   0.10055473  0.79417669  0.52964957
   0.36846253  1.02561346  0.80115736
   0.47322139  0.92341063  0.64213149
   0.20538243  0.95383822  0.67141959
   0.30077026  0.68940856 -0.03607331
   0.04874023  0.65122984  0.91013966
   0.61445372  0.06389259  0.09952740
   0.83859501  0.19351697  0.24833842
   0.62710927  0.30504814  0.03011579
   0.87609654  0.44154020  0.36796034
   0.03340169  0.37269391  0.19682657
   0.77244284  0.41994447  0.16068995
   0.76127772  0.20967175  0.42370241
   0.50293045  0.13211519  0.42103270
   0.67857140  0.07060808  0.56545940
   0.83550122  0.19926104  0.78700314
   0.57962669  0.32261658  0.54816473
   0.88323591  0.45413478  0.85059330
   0.99004896  0.44869299  0.67368873
   0.73078217  0.42388873  0.69459329
   0.79300630  0.10710066  0.96757589
   0.52241835  0.10737164  0.93815018
   0.58002881  0.55762674  0.07090327
   0.87223290  0.68769299  0.29577292
   0.61325255  0.81398044  0.04447548
   0.85655579  0.95686810  0.35423500
   0.91925148  0.85748194  0.17510665
   0.66251001  0.87602215  0.23160703
   0.80924083  0.67225137  0.47023082
   0.56444751  0.57135808  0.39763898
   0.62430554  0.59134289  0.57278256
   0.83085641  0.70715220  0.80298109
   0.57095421  0.81692412  0.46329151
   0.93082882  0.95005442  0.84736308
   0.95586414  0.85865927  0.67042451
   0.72185649  0.93619428  0.73095300
   0.79200865  0.64711948  0.97777500
   0.55800994  0.67231926  0.89548381
   0.68108857  0.80031728  0.59686505
   0.52672929  0.84363932  0.40193360
   0.89171553  0.23150592  0.08262622
   0.95653142  0.40979661  0.32698034
   0.35275788  0.15441420  0.63695028
   0.28962035  0.80945827  0.76695454
   0.11403942  1.13349883  0.18539104
   0.24396893  1.08904269  0.01309446
   0.65192470  0.36811149  0.86025854
   0.91065327  0.44992196  0.64287242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805451    0.260878   -0.017184
    -0.000000    9.897858   -0.133358
    -0.000000    0.000000   14.074215
   Si   O    H 
    32    64    10
Direct configuration=  1711
   0.17587044  0.20383651 -0.03451547
   0.36341584  0.09427627  0.37082018
   0.14419467  0.42343771  0.11767336
   0.38494968  0.34876978  0.24378938
   0.10285347  0.15765758  0.48462673
   0.40755007  0.15742564  0.85930710
   0.13321923  0.40769296  0.62976980
   0.38059954  0.40019033  0.75820191
   0.14391806  0.68061243 -0.00413791
   0.40642920  0.59483484  0.35886800
   0.07672655  0.89865021  0.14539456
   0.34080798  0.83824013  0.24802670
   0.16729904  0.65016114  0.49758645
   0.39675869  0.65885286  0.87028478
   0.07370108  0.91532228  0.60653874
   0.35221586  1.02344148  0.68507798
   0.64641735  0.14277473  1.00506447
   0.86078249  0.12872067  0.35244693
   0.62224694  0.42080577  0.12091253
   0.88766676  0.30691237  0.17024909
   0.62618132  0.17909323  0.49069110
   0.89994106  0.11074624  0.87474768
   0.59885301  0.45087312  0.62403179
   0.76480180  0.36454580  0.80165796
   0.62889818  0.66652476  0.00159298
   0.90202369  0.59740818  0.39234618
   0.57893822  0.91358194  0.13268972
   0.82313201  0.84639925  0.26787106
   0.64221291  0.66732302  0.47420131
   0.88676075  0.61284971  0.88748608
   0.63852112  0.93742912  0.63453161
   0.86706941  0.85803997  0.76791304
   0.09684014  0.05941372  0.14050033
   0.33281908  0.19956058  0.27783603
   0.11858714  0.33684244  0.02254357
   0.35504586  0.44582566  0.33632962
   0.54527243  0.36049876  0.20845235
   0.29921002  0.41101175  0.15848799
   0.24796211  0.11346421  0.44502615
   0.02359932  0.16905626  0.38287076
   0.02144194  0.04030209  0.54476512
   0.47512280  0.26634741  0.78490303
   0.11913367  0.29347548  0.54975436
   0.38224258  0.49303278  0.85539599
   0.46610894  0.48014530  0.68492615
   0.23819203  0.35602828  0.71153483
   0.29597601  0.25909990 -0.09620877
   0.05012126  0.17039442  0.89283079
   0.12749536  0.57318653  0.08211422
   0.39501131  0.69034016  0.26911951
   0.11646905  0.83403629  0.04108861
   0.38232463  0.94270271  0.33288690
   0.41953909  0.88969791  0.15290534
   0.17016082  0.83259078  0.22760780
   0.31541853  0.68781905  0.44628439
   0.06222763  0.60853761  0.41684389
   0.19400857  0.53970019  0.58603584
   0.35611176  0.73403152  0.77745472
   0.09924969  0.79393576  0.53023959
   0.36667759  1.02612663  0.80117323
   0.47374534  0.92291000  0.64267220
   0.20480720  0.95352546  0.66942106
   0.30218041  0.69144707 -0.03557752
   0.04800032  0.65084562  0.91001891
   0.61274693  0.06448339  0.09880588
   0.83889494  0.19053335  0.24625837
   0.62816169  0.30464405  0.02993872
   0.87565765  0.44027313  0.36752608
   0.03316439  0.37035876  0.19634691
   0.77418651  0.41985161  0.16216475
   0.76020591  0.20910316  0.42393202
   0.50266979  0.13136850  0.42003676
   0.67963510  0.07212584  0.56375334
   0.83588537  0.19961123  0.78706224
   0.57981338  0.32495635  0.54805018
   0.88262601  0.45457088  0.85069485
   0.99068587  0.44764922  0.67375795
   0.72883936  0.42385524  0.69446697
   0.79441652  0.10439158  0.96759068
   0.52156971  0.10872450  0.93860069
   0.58096105  0.55673120  0.07015235
   0.87209121  0.68805195  0.29708804
   0.61493911  0.81418823  0.04476661
   0.85737792  0.95719101  0.35495139
   0.92126381  0.85683171  0.17493581
   0.66338399  0.87450079  0.23200476
   0.80927569  0.67366795  0.47056744
   0.56394844  0.57184182  0.39880605
   0.62517737  0.58952716  0.57130817
   0.83050290  0.70714027  0.80263838
   0.57132237  0.81783674  0.46262561
   0.92995032  0.94932939  0.84705560
   0.95525797  0.85742007  0.67246339
   0.72256113  0.93695740  0.73112432
   0.79335655  0.64677023  0.97732583
   0.55696634  0.67297627  0.89545841
   0.67989814  0.80127182  0.59942178
   0.52661030  0.85100612  0.40351360
   0.89468952  0.24360773  0.08359075
   0.95494198  0.41221554  0.32635309
   0.35203826  0.15202287  0.63605071
   0.29199595  0.80606197  0.77267552
   0.11389756  1.13192585  0.18380693
   0.24287132  1.08556735  0.01032952
   0.65609084  0.36617777  0.85974262
   0.90097137  0.44533172  0.64038742
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805246    0.260286   -0.017605
    -0.000000    9.899163   -0.130391
    -0.000000    0.000000   14.074101
   Si   O    H 
    32    64    10
Direct configuration=  1712
   0.17583474  0.20359242 -0.03466698
   0.36326953  0.09351259  0.37089654
   0.14437030  0.42190678  0.11739360
   0.38554746  0.34957598  0.24389938
   0.10437727  0.15737785  0.48334027
   0.40866405  0.15697981  0.85938974
   0.13465230  0.40660127  0.62935672
   0.37996991  0.39931911  0.75813162
   0.14372141  0.68030818 -0.00399449
   0.40572420  0.59484223  0.35976568
   0.07564935  0.89824974  0.14495532
   0.34112475  0.83785198  0.24799526
   0.16740311  0.65052560  0.49680334
   0.39689040  0.65851898  0.87065866
   0.07452918  0.91518423  0.60587075
   0.35168892  1.02318286  0.68548584
   0.64598361  0.14122623  1.00402346
   0.86051262  0.12870105  0.35266303
   0.62198593  0.42279849  0.12066709
   0.88826144  0.30692651  0.16935143
   0.62555859  0.17758087  0.49112829
   0.89979803  0.10977005  0.87388613
   0.59943306  0.45114031  0.62362219
   0.76573075  0.36335651  0.80128432
   0.62991243  0.66697422  0.00177474
   0.90279130  0.59731952  0.39239529
   0.57990721  0.91240540  0.13253946
   0.82230492  0.84534119  0.26774512
   0.64188202  0.66681086  0.47402288
   0.88814706  0.61176878  0.88670783
   0.63953589  0.93656860  0.63414885
   0.86677775  0.85858490  0.76831164
   0.09609223  0.05935337  0.14083250
   0.33383507  0.19760740  0.27726399
   0.11984162  0.33735043  0.02304928
   0.35540890  0.44831788  0.33586043
   0.54436199  0.35867425  0.20873480
   0.29829742  0.41064465  0.15971631
   0.24941029  0.11347755  0.44542490
   0.02320034  0.16902578  0.38213465
   0.02033151  0.03945596  0.54453338
   0.47707521  0.26579734  0.78396779
   0.11847622  0.29469321  0.54919527
   0.38270730  0.49073232  0.85693183
   0.46469719  0.47988213  0.68598900
   0.23784022  0.35449691  0.71159883
   0.29683221  0.25803708 -0.09656478
   0.04813366  0.16976480  0.89392635
   0.12686425  0.57558225  0.08344557
   0.39361684  0.69240026  0.26926862
   0.11635881  0.83472254  0.04157578
   0.38291966  0.94506452  0.33242320
   0.42053337  0.88974423  0.15235399
   0.17135312  0.83297995  0.22819082
   0.31570660  0.68628792  0.44599316
   0.06285501  0.60784063  0.41639585
   0.19153545  0.54075385  0.58525130
   0.35701463  0.73414700  0.77736068
   0.09839255  0.79285862  0.53101668
   0.36504517  1.02654914  0.80172129
   0.47413038  0.92291523  0.64268240
   0.20363652  0.95389867  0.66693129
   0.30387292  0.69378453 -0.03549763
   0.04635831  0.65169699  0.90970552
   0.61115156  0.06391399  0.09825352
   0.83936875  0.18772091  0.24454821
   0.62873805  0.30499022  0.03010015
   0.87484856  0.43916477  0.36748352
   0.03207206  0.36897572  0.19626394
   0.77623413  0.42015566  0.16291385
   0.75890289  0.20855843  0.42427544
   0.50337570  0.13088515  0.41963141
   0.68116056  0.07274733  0.56242869
   0.83642545  0.20019326  0.78762784
   0.58004000  0.32632556  0.54780847
   0.88174310  0.45537458  0.85135686
   0.99020581  0.44729365  0.67371973
   0.72708885  0.42289015  0.69439950
   0.79644435  0.10275753  0.96714958
   0.52050321  0.10884548  0.93898557
   0.58184165  0.55608500  0.06945002
   0.87176919  0.68862884  0.29863357
   0.61629388  0.81496844  0.04541341
   0.85851681  0.95773485  0.35547151
   0.92270597  0.85646449  0.17483241
   0.66490873  0.87282667  0.23271008
   0.81013958  0.67492589  0.47049044
   0.56317051  0.57248446  0.39952462
   0.62641351  0.58819661  0.57054137
   0.83025346  0.70678151  0.80211636
   0.57180487  0.81942015  0.46147364
   0.92847136  0.94883134  0.84668100
   0.95506449  0.85629528  0.67425034
   0.72407116  0.93801211  0.73145887
   0.79486921  0.64601995  0.97687393
   0.55514826  0.67348179  0.89525656
   0.68465653  0.80489870  0.60165044
   0.52530663  0.85552298  0.40786273
   0.90241113  0.25091563  0.07931710
   0.95385735  0.41378884  0.32744075
   0.34868055  0.15066126  0.63472803
   0.28863964  0.80551551  0.77847590
   0.11586492  1.13423388  0.18497579
   0.24400278  1.08190244  0.00780669
   0.65302121  0.36405598  0.86518794
   0.89286855  0.44089794  0.63908375
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805054    0.260840   -0.017855
    -0.000000    9.900368   -0.126722
    -0.000000    0.000000   14.073893
   Si   O    H 
    32    64    10
Direct configuration=  1713
   0.17602137  0.20333856 -0.03481330
   0.36348426  0.09320113  0.37096266
   0.14462727  0.42033816  0.11729045
   0.38665643  0.35060498  0.24403375
   0.10583140  0.15756510  0.48228775
   0.40958334  0.15655463  0.85914567
   0.13611770  0.40584805  0.62896655
   0.37949444  0.39844063  0.75842038
   0.14309360  0.68076318 -0.00381934
   0.40494063  0.59542316  0.36068723
   0.07543808  0.89754542  0.14483883
   0.34081077  0.83830287  0.24794766
   0.16770803  0.65076683  0.49616043
   0.39698479  0.65816532  0.87124976
   0.07488366  0.91495037  0.60501743
   0.35157779  1.02288318  0.68500017
   0.64535470  0.14021638  1.00281644
   0.86053350  0.12907914  0.35305467
   0.62232597  0.42396933  0.12006548
   0.88855664  0.30623690  0.16893613
   0.62489631  0.17631119  0.49142735
   0.89968250  0.10904368  0.87343714
   0.59966190  0.45158352  0.62322874
   0.76706893  0.36175886  0.80073174
   0.63113448  0.66791453  0.00136796
   0.90339898  0.59627472  0.39241521
   0.58039600  0.91141937  0.13240525
   0.82145013  0.84381422  0.26784471
   0.64104540  0.66624833  0.47397431
   0.88915771  0.61090483  0.88609467
   0.64040331  0.93570877  0.63374004
   0.86604349  0.85822152  0.76858851
   0.09499166  0.06005331  0.14151686
   0.33574052  0.19576941  0.27694155
   0.12179031  0.33803276  0.02368027
   0.35677499  0.44973307  0.33549678
   0.54319578  0.35781826  0.20911286
   0.29705504  0.41043085  0.16045292
   0.25112226  0.11407124  0.44619558
   0.02275653  0.16961040  0.38167606
   0.01960318  0.03990751  0.54419353
   0.47909583  0.26520498  0.78369056
   0.11805748  0.29541279  0.54847459
   0.38285090  0.48889859  0.85848562
   0.46285496  0.47979956  0.68617891
   0.23706598  0.35331243  0.71115536
   0.29743013  0.25742491 -0.09699493
   0.04587295  0.16875006  0.89486442
   0.12542242  0.57814009  0.08520987
   0.39245628  0.69382588  0.26927479
   0.11562728  0.83451691  0.04206308
   0.38348311  0.94737126  0.33221958
   0.42107525  0.88965002  0.15146450
   0.17287060  0.83288586  0.22858010
   0.31597381  0.68429859  0.44614073
   0.06266461  0.60681670  0.41636897
   0.18997919  0.54293781  0.58460642
   0.35765784  0.73431528  0.77664982
   0.09695635  0.79222350  0.53163877
   0.36396016  1.02687529  0.80187441
   0.47407332  0.92275328  0.64285880
   0.20265141  0.95437572  0.66523506
   0.30588397  0.69604961 -0.03553457
   0.04413620  0.65251406  0.90937151
   0.60871873  0.06365206  0.09885488
   0.83943009  0.18566265  0.24264910
   0.62992817  0.30534067  0.03018197
   0.87379676  0.43753931  0.36725749
   0.03127820  0.36865912  0.19642539
   0.77807936  0.42140677  0.16379800
   0.75760900  0.20824065  0.42435062
   0.50358471  0.13026781  0.41899430
   0.68276430  0.07273905  0.56147018
   0.83641580  0.20263333  0.78874281
   0.58023549  0.32645003  0.54761287
   0.88147957  0.45641913  0.85205481
   0.98884018  0.44772321  0.67315197
   0.72542769  0.42153411  0.69446489
   0.79917999  0.10190768  0.96647752
   0.51966076  0.10921462  0.93918903
   0.58247797  0.55518418  0.06923265
   0.87033205  0.68974155  0.30008305
   0.61655195  0.81544563  0.04545261
   0.86001537  0.95809822  0.35565353
   0.92354316  0.85649246  0.17549726
   0.66587157  0.87179960  0.23340863
   0.81021655  0.67560845  0.47065727
   0.56239017  0.57236349  0.39995718
   0.62738686  0.58611900  0.56961063
   0.83005644  0.70671910  0.80133593
   0.57272688  0.82080185  0.46075229
   0.92855373  0.94859221  0.84662070
   0.95459490  0.85565768  0.67544157
   0.72528366  0.93930967  0.73230244
   0.79611250  0.64498662  0.97670423
   0.55369291  0.67369569  0.89583394
   0.68914292  0.80585859  0.60268425
   0.52034992  0.85978622  0.40677805
   0.90806456  0.25545854  0.07309229
   0.95420785  0.41507536  0.33121417
   0.34360840  0.15368859  0.63381042
   0.28372316  0.80446483  0.78283738
   0.11825372  1.13540547  0.18662567
   0.24344557  1.07948781  0.00595911
   0.64760734  0.36503262  0.86998337
   0.89748594  0.43436793  0.64098380
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805460    0.261547   -0.018078
    -0.000000    9.901479   -0.122949
    -0.000000    0.000000   14.074022
   Si   O    H 
    32    64    10
Direct configuration=  1714
   0.17590622  0.20324261 -0.03491714
   0.36389200  0.09309144  0.37064204
   0.14489887  0.41878442  0.11776440
   0.38800822  0.35180777  0.24451912
   0.10668241  0.15779114  0.48149583
   0.41089171  0.15630443  0.85887717
   0.13737524  0.40559783  0.62859714
   0.37871257  0.39739314  0.75961643
   0.14246063  0.68113009 -0.00344461
   0.40467295  0.59616586  0.36183509
   0.07529295  0.89627527  0.14475082
   0.33978703  0.83954475  0.24801278
   0.16770534  0.65101280  0.49556262
   0.39602467  0.65730910  0.87185594
   0.07456025  0.91372432  0.60439578
   0.35147158  1.02254182  0.68439492
   0.64517382  0.13941620  1.00200170
   0.86094526  0.12957303  0.35327241
   0.62337817  0.42413103  0.11949212
   0.88929551  0.30526681  0.16837163
   0.62412474  0.17488268  0.49154172
   0.90010306  0.10832184  0.87310780
   0.59964277  0.45190921  0.62271552
   0.76811752  0.36015511  0.80038099
   0.63298942  0.66900265  0.00080903
   0.90370938  0.59517182  0.39205325
   0.58126224  0.91046456  0.13257049
   0.82081131  0.84253245  0.26809441
   0.63990423  0.66599646  0.47391091
   0.89022107  0.61002591  0.88547975
   0.64152646  0.93517854  0.63299785
   0.86473534  0.85807439  0.76863583
   0.09329698  0.06088677  0.14240851
   0.33736852  0.19417220  0.27633101
   0.12395583  0.33809746  0.02420925
   0.35734764  0.45081918  0.33531945
   0.54164069  0.35705145  0.20938488
   0.29539695  0.40953593  0.16092895
   0.25294051  0.11401622  0.44678806
   0.02223434  0.17082061  0.38126372
   0.01949287  0.04115125  0.54389171
   0.47974293  0.26482179  0.78296581
   0.11810210  0.29545788  0.54722349
   0.38280954  0.48678353  0.85946084
   0.46128461  0.47967366  0.68571477
   0.23620820  0.35281313  0.71045141
   0.29855991  0.25682948 -0.09738225
   0.04400646  0.16790641  0.89576722
   0.12380722  0.58088144  0.08724560
   0.39128962  0.69464595  0.26932867
   0.11482459  0.83444872  0.04321058
   0.38390322  0.94862952  0.33269688
   0.42128596  0.88947263  0.15118351
   0.17462026  0.83258896  0.22836406
   0.31705179  0.68208497  0.44672878
   0.06303948  0.60466703  0.41632913
   0.18857933  0.54579912  0.58350981
   0.35791168  0.73529104  0.77577695
   0.09511452  0.79110663  0.53210651
   0.36185692  1.02758026  0.80190231
   0.47410964  0.92324456  0.64363673
   0.20194743  0.95477082  0.66399350
   0.30748835  0.69823754 -0.03609967
   0.04165490  0.65320573  0.90939171
   0.60613489  0.06318405  0.09934749
   0.83918398  0.18332085  0.24093364
   0.63072292  0.30593689  0.03072363
   0.87251116  0.43596474  0.36682278
   0.03105137  0.36920919  0.19659735
   0.77889753  0.42283225  0.16457832
   0.75638900  0.20804911  0.42462729
   0.50463909  0.12966343  0.41816493
   0.68344811  0.07224141  0.56150607
   0.83659492  0.20537879  0.78933454
   0.57987589  0.32679295  0.54684593
   0.88120457  0.45708337  0.85291881
   0.98681970  0.44749141  0.67290649
   0.72416860  0.42013561  0.69495818
   0.80116114  0.10111448  0.96519045
   0.51805094  0.10950054  0.93886255
   0.58357850  0.55511367  0.06921518
   0.86886516  0.69006632  0.30112076
   0.61748342  0.81544924  0.04544906
   0.86146195  0.95838886  0.35606274
   0.92419996  0.85623294  0.17584683
   0.66625982  0.87078367  0.23402091
   0.81070673  0.67588302  0.47092063
   0.56132864  0.57188361  0.39987319
   0.62813577  0.58487598  0.56902475
   0.82986066  0.70670515  0.80071442
   0.57391330  0.82203160  0.45970219
   0.92894938  0.94899996  0.84660933
   0.95452866  0.85497387  0.67656550
   0.72635864  0.94022985  0.73251923
   0.79788465  0.64481210  0.97654929
   0.55280699  0.67285486  0.89678716
   0.69440945  0.80580486  0.60007153
   0.51887348  0.86152198  0.40452966
   0.91437009  0.26013405  0.06744870
   0.95795921  0.41204727  0.33371852
   0.34382116  0.15439177  0.63610203
   0.28396071  0.80290290  0.78653946
   0.12046721  1.13259544  0.18817514
   0.24397283  1.07620853  0.00319323
   0.64456967  0.36333127  0.87326573
   0.90757806  0.43087812  0.64652356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806005    0.262368   -0.018152
    -0.000000    9.902693   -0.119035
    -0.000000    0.000000   14.073783
   Si   O    H 
    32    64    10
Direct configuration=  1715
   0.17502418  0.20304648 -0.03480857
   0.36468776  0.09356780  0.37032244
   0.14463550  0.41783535  0.11870174
   0.38907192  0.35255322  0.24478584
   0.10734105  0.15773903  0.48114465
   0.41252567  0.15649530  0.85895188
   0.13826046  0.40589105  0.62853382
   0.37828104  0.39623072  0.76112348
   0.14177337  0.68114165 -0.00311960
   0.40446072  0.59711953  0.36288183
   0.07461340  0.89507514  0.14475512
   0.33918957  0.84037962  0.24763363
   0.16752113  0.65111880  0.49509551
   0.39528016  0.65606850  0.87224603
   0.07380276  0.91253138  0.60399064
   0.35055742  1.02223566  0.68366714
   0.64478205  0.13890234  1.00167464
   0.86127487  0.13015532  0.35346548
   0.62480742  0.42366393  0.11926345
   0.89012584  0.30375807  0.16780139
   0.62345692  0.17464067  0.49122483
   0.90034128  0.10774800  0.87311061
   0.59893218  0.45155329  0.62246973
   0.77004373  0.35842220  0.80019770
   0.63490537  0.67001286 -0.00038409
   0.90431864  0.59401540  0.39181161
   0.58265542  0.90977278  0.13265778
   0.82093757  0.84170670  0.26865251
   0.63884265  0.66598879  0.47397753
   0.89145079  0.60929925  0.88505702
   0.64237462  0.93520179  0.63209991
   0.86268053  0.85765933  0.76837340
   0.09184410  0.06169625  0.14293317
   0.33916075  0.19265214  0.27555288
   0.12621677  0.33802932  0.02406731
   0.35778171  0.45089409  0.33530370
   0.54055504  0.35636852  0.20954678
   0.29415704  0.40737841  0.16075822
   0.25461798  0.11370886  0.44797640
   0.02166133  0.17244113  0.38059978
   0.01860583  0.04314224  0.54357501
   0.47994588  0.26460167  0.78279918
   0.11829234  0.29469694  0.54568829
   0.38245208  0.48505650  0.85977934
   0.46040216  0.47986204  0.68491786
   0.23494965  0.35205736  0.71000610
   0.29902140  0.25704489 -0.09761278
   0.04292321  0.16736883  0.89651367
   0.12219065  0.58312360  0.08899029
   0.39074481  0.69464408  0.26960035
   0.11430296  0.83415171  0.04377642
   0.38444344  0.94839746  0.33320967
   0.42142038  0.89007514  0.15101768
   0.17601877  0.83231612  0.22801744
   0.31765243  0.67980530  0.44734214
   0.06337860  0.60248202  0.41618197
   0.18809230  0.54934990  0.58241283
   0.35796856  0.73501221  0.77515219
   0.09413266  0.79035178  0.53240710
   0.35980349  1.02902362  0.80135030
   0.47397101  0.92373001  0.64420035
   0.20155473  0.95555711  0.66283071
   0.30883791  0.69977988 -0.03646334
   0.03991232  0.65407498  0.90919336
   0.60411169  0.06301754  0.10039731
   0.83925449  0.18119395  0.23921899
   0.63116229  0.30638222  0.03133030
   0.87206221  0.43447075  0.36648731
   0.03160894  0.37132767  0.19745793
   0.77908990  0.42468653  0.16509522
   0.75548919  0.20771020  0.42535988
   0.50592710  0.12905009  0.41790793
   0.68346100  0.07119304  0.56242533
   0.83651281  0.20823254  0.78944436
   0.57908390  0.32640830  0.54592601
   0.88043426  0.45802052  0.85368168
   0.98636094  0.44817137  0.67291344
   0.72355911  0.41957139  0.69493187
   0.80172910  0.09989801  0.96366611
   0.51631101  0.10946933  0.93810291
   0.58477035  0.55577703  0.06920836
   0.86717719  0.69000617  0.30202741
   0.61924800  0.81484222  0.04554286
   0.86282852  0.95843111  0.35609947
   0.92482710  0.85619099  0.17633042
   0.66738117  0.87066019  0.23413881
   0.81057146  0.67594952  0.47162764
   0.56061367  0.57105193  0.40000558
   0.62871397  0.58381845  0.56858551
   0.82968976  0.70644801  0.80040651
   0.57525464  0.82298579  0.45828782
   0.92978495  0.95031728  0.84665872
   0.95484586  0.85410047  0.67683115
   0.72680245  0.94108393  0.73314721
   0.79986650  0.64483876  0.97662551
   0.55256668  0.67250844  0.89788769
   0.69968040  0.80514744  0.59605942
   0.51765836  0.86132981  0.40583000
   0.92087144  0.26049321  0.06387504
   0.96056359  0.40616723  0.33678506
   0.34700666  0.15516522  0.63730583
   0.28768584  0.79958613  0.78897561
   0.12547460  1.12430240  0.19026038
   0.24238155  1.07863928  0.00205333
   0.65007476  0.36513961  0.87394118
   0.89819660  0.42426298  0.64305374
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806605    0.263407   -0.018546
    -0.000000    9.904045   -0.115075
    -0.000000    0.000000   14.073526
   Si   O    H 
    32    64    10
Direct configuration=  1716
   0.17362389  0.20317874 -0.03468239
   0.36554596  0.09463532  0.36992727
   0.14476020  0.41748863  0.12002953
   0.38988105  0.35273436  0.24516191
   0.10730072  0.15717159  0.48095812
   0.41402622  0.15672612  0.85901215
   0.13861370  0.40732382  0.62796642
   0.37804001  0.39610897  0.76243638
   0.14120618  0.68131873 -0.00294997
   0.40399538  0.59881687  0.36360589
   0.07410539  0.89444358  0.14499284
   0.33909860  0.84151634  0.24746358
   0.16769466  0.65187602  0.49513022
   0.39448631  0.65400564  0.87276341
   0.07227313  0.91133313  0.60400583
   0.35027784  1.02315375  0.68289953
   0.64466704  0.13959541  1.00161930
   0.86130413  0.13079093  0.35373170
   0.62682449  0.42257896  0.11900535
   0.89075250  0.30191442  0.16710495
   0.62357818  0.17539638  0.49077673
   0.90042799  0.10709266  0.87325782
   0.59812586  0.45117426  0.62234292
   0.77178235  0.35758214  0.80032461
   0.63680701  0.67066632 -0.00182189
   0.90452553  0.59285767  0.39221758
   0.58397086  0.90922005  0.13270291
   0.82160364  0.84107538  0.26933049
   0.63780263  0.66637505  0.47384356
   0.89231630  0.60885975  0.88446433
   0.64285283  0.93520158  0.63144441
   0.86075934  0.85662075  0.76797453
   0.09026481  0.06193303  0.14329459
   0.34083145  0.19181866  0.27457938
   0.12821767  0.33790459  0.02329702
   0.35838388  0.45039684  0.33514328
   0.53974859  0.35561380  0.20904065
   0.29338697  0.40515844  0.16041661
   0.25580406  0.11345506  0.44884655
   0.02077624  0.17487256  0.38036516
   0.01780810  0.04524914  0.54284578
   0.47939976  0.26373976  0.78238649
   0.11896924  0.29417069  0.54372151
   0.38239226  0.48329290  0.85999964
   0.46006209  0.48054573  0.68402914
   0.23378538  0.35150421  0.71022395
   0.29806307  0.25702701 -0.09757853
   0.04180511  0.16678853  0.89764211
   0.12122253  0.58368006  0.09122757
   0.39108152  0.69309573  0.27007284
   0.11381454  0.83419532  0.04436665
   0.38493454  0.94722507  0.33374559
   0.42131069  0.89013757  0.15096063
   0.17820314  0.83182566  0.22787127
   0.31821873  0.67790624  0.44776157
   0.06297148  0.59982309  0.41544732
   0.18788013  0.55200793  0.58197347
   0.35785554  0.73322782  0.77484752
   0.09326035  0.78940434  0.53228945
   0.35801743  1.03031577  0.80061775
   0.47415987  0.92430440  0.64477531
   0.20241655  0.95624911  0.66160996
   0.30940414  0.70116052 -0.03668578
   0.03872432  0.65519553  0.90874297
   0.60221118  0.06272894  0.10173868
   0.83963881  0.17858193  0.23792602
   0.63110309  0.30682176  0.03149339
   0.87172053  0.43261498  0.36680994
   0.03241170  0.37353314  0.19793239
   0.77928012  0.42682816  0.16529189
   0.75516426  0.20702631  0.42564833
   0.50729147  0.12863011  0.41786781
   0.68236612  0.06868331  0.56350398
   0.83597389  0.21069122  0.79003764
   0.57853314  0.32513968  0.54496426
   0.88017073  0.45713415  0.85398787
   0.98594053  0.44783114  0.67256171
   0.72314839  0.41837151  0.69504825
   0.80119323  0.09968807  0.96254599
   0.51477061  0.10818875  0.93794079
   0.58555889  0.55672506  0.06884535
   0.86499945  0.69002742  0.30214764
   0.62133141  0.81340860  0.04623933
   0.86439100  0.95855887  0.35570524
   0.92448808  0.85618329  0.17688280
   0.66782756  0.86986569  0.23396115
   0.81002117  0.67578011  0.47223227
   0.55932427  0.56978880  0.39999368
   0.62860892  0.58263406  0.56869996
   0.83057943  0.70650448  0.80015161
   0.57659260  0.82371169  0.45654723
   0.93050807  0.95178303  0.84685124
   0.95527098  0.85360152  0.67672654
   0.72658516  0.94221990  0.73357629
   0.80124952  0.64524826  0.97702203
   0.55350269  0.67192146  0.89912718
   0.70263379  0.80652454  0.59057796
   0.51536775  0.85953466  0.40694553
   0.92248868  0.26073146  0.06652771
   0.96360735  0.39757956  0.33804127
   0.34852482  0.15554760  0.64016293
   0.28438085  0.79960999  0.79248341
   0.13263612  1.11757982  0.19444505
   0.23910395  1.08064299  0.00434033
   0.66140308  0.36326238  0.87369182
   0.89375576  0.41779849  0.64290288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807597    0.264043   -0.018891
    -0.000000    9.905215   -0.110601
    -0.000000    0.000000   14.073070
   Si   O    H 
    32    64    10
Direct configuration=  1717
   0.17147642  0.20291782 -0.03494004
   0.36679378  0.09590088  0.36977263
   0.14462552  0.41697679  0.12066121
   0.39058069  0.35289327  0.24564507
   0.10670569  0.15688383  0.48109040
   0.41549180  0.15667328  0.85918998
   0.13903580  0.40849985  0.62756440
   0.37839125  0.39584748  0.76395850
   0.14131884  0.68160530 -0.00251822
   0.40322795  0.60039088  0.36443683
   0.07345509  0.89452449  0.14515502
   0.33931898  0.84304124  0.24736255
   0.16749408  0.65276157  0.49521599
   0.39339466  0.65168767  0.87303249
   0.07093405  0.91044156  0.60370373
   0.34976571  1.02435756  0.68287675
   0.64447096  0.14049616  1.00190124
   0.86200817  0.13193438  0.35373585
   0.62822253  0.42074048  0.11915988
   0.89082607  0.30014447  0.16670327
   0.62443613  0.17612403  0.49031556
   0.90105994  0.10653674  0.87273174
   0.59739739  0.45019141  0.62213536
   0.77283912  0.35646554  0.80068120
   0.63841492  0.67131920 -0.00255918
   0.90460973  0.59155534  0.39297060
   0.58507216  0.90909448  0.13293901
   0.82271801  0.84027035  0.27034365
   0.63735817  0.66681596  0.47401800
   0.89298535  0.60921854  0.88365875
   0.64306244  0.93451706  0.63057893
   0.85929728  0.85547769  0.76721015
   0.08936027  0.06248894  0.14412439
   0.34244303  0.19142968  0.27398648
   0.13086646  0.33783090  0.02291536
   0.35946476  0.45002109  0.33492499
   0.53956424  0.35513860  0.20773584
   0.29236780  0.40306747  0.15968556
   0.25643610  0.11293701  0.45007566
   0.01950802  0.17690425  0.37973156
   0.01735460  0.04735541  0.54237910
   0.47811247  0.26286089  0.78186550
   0.11941655  0.29365264  0.54244276
   0.38252731  0.48215249  0.86042423
   0.46019892  0.48114316  0.68243011
   0.23368917  0.35066198  0.71155993
   0.29635806  0.25705761 -0.09768794
   0.04083814  0.16663123  0.89820810
   0.12045824  0.58390583  0.09330027
   0.39163911  0.69143734  0.27028457
   0.11313871  0.83453448  0.04426561
   0.38519326  0.94551485  0.33409301
   0.42110415  0.89048974  0.15141917
   0.17984834  0.83147714  0.22843794
   0.31900380  0.67577972  0.44769886
   0.06254925  0.59828099  0.41466260
   0.18831652  0.55483843  0.58168182
   0.35759631  0.73116869  0.77455135
   0.09272956  0.78836969  0.53209356
   0.35644865  1.03080171  0.80016039
   0.47492495  0.92503353  0.64577529
   0.20444779  0.95580937  0.66048963
   0.30894626  0.70257067 -0.03649799
   0.03943512  0.65633920  0.90838505
   0.60082508  0.06222707  0.10301833
   0.83922428  0.17577451  0.23675932
   0.63075317  0.30676224  0.03218413
   0.87211477  0.43119554  0.36723602
   0.03320994  0.37576684  0.19820903
   0.77940086  0.42842510  0.16565551
   0.75486512  0.20637595  0.42598067
   0.50904486  0.12775682  0.41782430
   0.68155475  0.06534490  0.56489879
   0.83518392  0.21253649  0.79086916
   0.57818406  0.32335344  0.54407619
   0.87975298  0.45588900  0.85405009
   0.98485145  0.44805780  0.67216135
   0.72263885  0.41710629  0.69579044
   0.79944526  0.09908191  0.96176126
   0.51403389  0.10656784  0.93803875
   0.58649869  0.55721614  0.06811430
   0.86272034  0.69069490  0.30181073
   0.62338317  0.81244912  0.04645770
   0.86523000  0.95915210  0.35477603
   0.92379672  0.85688730  0.17789033
   0.66758048  0.86890314  0.23318010
   0.80973249  0.67433514  0.47321030
   0.55887426  0.56861459  0.39983158
   0.62867503  0.58216905  0.56856260
   0.83151538  0.70677118  0.80077245
   0.57829415  0.82355973  0.45477170
   0.93084184  0.95273448  0.84663746
   0.95616261  0.85296532  0.67613752
   0.72573071  0.94326451  0.73365276
   0.80200508  0.64565666  0.97726585
   0.55469480  0.67110356  0.90033901
   0.70494328  0.81350500  0.58780056
   0.51475195  0.85351008  0.40843971
   0.91948275  0.26210329  0.07116116
   0.96120137  0.39162922  0.34052831
   0.35106214  0.15863547  0.64209030
   0.28491339  0.79844117  0.79241585
   0.13650710  1.10641228  0.19641243
   0.23577162  1.08342161  0.00703901
   0.66749513  0.35850757  0.87102880
   0.89891331  0.41377578  0.64645571
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809002    0.264380   -0.019689
    -0.000000    9.906604   -0.105847
    -0.000000    0.000000   14.072599
   Si   O    H 
    32    64    10
Direct configuration=  1718
   0.17013480  0.20277957 -0.03537868
   0.36790865  0.09720573  0.36938557
   0.14431887  0.41697758  0.12101849
   0.39047124  0.35261631  0.24615651
   0.10552144  0.15650770  0.48126003
   0.41662400  0.15698558  0.85942051
   0.13919038  0.40970428  0.62739998
   0.37899265  0.39606986  0.76493539
   0.14147471  0.68187433 -0.00187721
   0.40236810  0.60158653  0.36503908
   0.07356729  0.89465989  0.14575967
   0.33922334  0.84491370  0.24740957
   0.16732047  0.65319595  0.49549235
   0.39252372  0.64991133  0.87320701
   0.06952347  0.90959217  0.60358156
   0.34919691  1.02535448  0.68290337
   0.64461957  0.14158410  1.00245839
   0.86235467  0.13280563  0.35303781
   0.62948515  0.41836319  0.11911249
   0.89115542  0.29856124  0.16623330
   0.62512542  0.17657266  0.49005529
   0.90166106  0.10609951  0.87162886
   0.59639971  0.44937493  0.62210550
   0.77321246  0.35652151  0.80102481
   0.64019707  0.67218409 -0.00300883
   0.90443291  0.59081808  0.39380226
   0.58600267  0.90880220  0.13332902
   0.82417813  0.83938221  0.27101104
   0.63819428  0.66707193  0.47443374
   0.89338200  0.60938884  0.88297153
   0.64353671  0.93421246  0.62982772
   0.85879986  0.85486670  0.76664399
   0.08807437  0.06283943  0.14498156
   0.34379291  0.19080080  0.27438858
   0.13347753  0.33842307  0.02270651
   0.35996064  0.44967135  0.33468255
   0.53993393  0.35501919  0.20652497
   0.29199931  0.40106716  0.15891825
   0.25781723  0.11142803  0.45066190
   0.01756619  0.17843447  0.37879890
   0.01698812  0.04945562  0.54221214
   0.47764922  0.26215073  0.78184283
   0.11994492  0.29429204  0.54191727
   0.38379230  0.48254805  0.86123134
   0.46032324  0.48139849  0.68102653
   0.23384499  0.35147944  0.71278546
   0.29430421  0.25692504 -0.09841280
   0.04029713  0.16698943  0.89884670
   0.11944465  0.58403953  0.09505865
   0.39190027  0.68968725  0.27123040
   0.11309217  0.83508190  0.04377395
   0.38577670  0.94366947  0.33404819
   0.42115066  0.89002619  0.15234663
   0.18069390  0.83166324  0.22836335
   0.31986511  0.67377433  0.44761271
   0.06277577  0.59712046  0.41415495
   0.18877321  0.55745887  0.58208694
   0.35707631  0.73022301  0.77455297
   0.09277016  0.78699328  0.53160775
   0.35470923  1.03075387  0.79905791
   0.47559359  0.92559317  0.64713542
   0.20628941  0.95450082  0.65880825
   0.30833005  0.70380391 -0.03610804
   0.04109645  0.65757497  0.90844555
   0.60009195  0.06234416  0.10363456
   0.83914819  0.17367062  0.23601590
   0.63031754  0.30678878  0.03268983
   0.87249827  0.43087733  0.36812850
   0.03371457  0.37816166  0.19918524
   0.77995845  0.42985378  0.16643812
   0.75442826  0.20614443  0.42617448
   0.51133745  0.12669466  0.41786875
   0.68123518  0.06168718  0.56638321
   0.83474954  0.21317945  0.79151874
   0.57815874  0.32160968  0.54324634
   0.87969857  0.45493928  0.85435434
   0.98472291  0.44868156  0.67199652
   0.72226106  0.41714267  0.69630767
   0.79673517  0.09770246  0.96069836
   0.51340864  0.10472383  0.93812219
   0.58789426  0.55726811  0.06823912
   0.86051622  0.69045011  0.30178101
   0.62506369  0.81208642  0.04645188
   0.86571291  0.96025741  0.35400985
   0.92214058  0.85825419  0.17874200
   0.66758577  0.86771561  0.23242292
   0.80926181  0.67266105  0.47369576
   0.55858251  0.56750506  0.39932658
   0.62854139  0.58214603  0.56838673
   0.83240028  0.70613477  0.80117664
   0.57998604  0.82277214  0.45361209
   0.93163168  0.95308787  0.84626933
   0.95766057  0.85235279  0.67553165
   0.72442877  0.94439326  0.73369264
   0.80279563  0.64574201  0.97762846
   0.55558356  0.67004200  0.90109127
   0.70199892  0.82337796  0.58627813
   0.50876948  0.85028990  0.40912002
   0.91470048  0.26018990  0.07242023
   0.95524847  0.38580768  0.34368137
   0.35337781  0.16010182  0.64314995
   0.28678744  0.79574651  0.79087213
   0.13830282  1.09819806  0.19658977
   0.23225660  1.08654509  0.00972871
   0.66987834  0.35340964  0.86716879
   0.90511226  0.40832086  0.64865389
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810085    0.264838   -0.019988
    -0.000000    9.907635   -0.100831
    -0.000000    0.000000   14.072428
   Si   O    H 
    32    64    10
Direct configuration=  1719
   0.16908216  0.20252788 -0.03598875
   0.36913455  0.09878966  0.36929888
   0.14399360  0.41714189  0.12132550
   0.38993055  0.35259626  0.24597744
   0.10404225  0.15583977  0.48186413
   0.41760588  0.15760743  0.85954558
   0.13900437  0.41131651  0.62733360
   0.37945291  0.39646177  0.76556980
   0.14216500  0.68172932 -0.00123083
   0.40188521  0.60280156  0.36540602
   0.07358851  0.89515856  0.14634718
   0.33870201  0.84660098  0.24728444
   0.16732148  0.65362204  0.49573666
   0.39217005  0.64810103  0.87333702
   0.06901024  0.90896661  0.60326261
   0.34862054  1.02656340  0.68258260
   0.64440586  0.14295730  1.00283229
   0.86282170  0.13337491  0.35236208
   0.63065109  0.41613613  0.11905343
   0.89127720  0.29780509  0.16637085
   0.62578400  0.17715805  0.48993112
   0.90230383  0.10574218  0.87030610
   0.59576203  0.44827695  0.62188720
   0.77362949  0.35708158  0.80117863
   0.64148834  0.67292253 -0.00343901
   0.90405576  0.59016369  0.39402970
   0.58716876  0.90885287  0.13343158
   0.82533140  0.83892647  0.27170975
   0.63856783  0.66804364  0.47448761
   0.89380261  0.60941903  0.88221125
   0.64448207  0.93376373  0.62907229
   0.85828955  0.85531154  0.76575492
   0.08687930  0.06152816  0.14546710
   0.34477818  0.19006093  0.27452583
   0.13663180  0.33888932  0.02258077
   0.36113594  0.44920421  0.33455547
   0.54062092  0.35582559  0.20562380
   0.29257576  0.39914987  0.15884119
   0.25859671  0.10995805  0.45068371
   0.01577013  0.18114595  0.37815648
   0.01749564  0.05133709  0.54232130
   0.47706025  0.26118322  0.78184971
   0.12100959  0.29545231  0.54183576
   0.38506920  0.48326189  0.86148107
   0.46008336  0.48125387  0.68035575
   0.23392674  0.35209999  0.71395451
   0.29305297  0.25638880 -0.09902778
   0.04039562  0.16642595  0.89945807
   0.11856899  0.58353187  0.09627441
   0.39242797  0.68735052  0.27161407
   0.11330795  0.83497927  0.04298695
   0.38634386  0.94104629  0.33395721
   0.42109959  0.88961917  0.15294525
   0.18133129  0.83154528  0.22859729
   0.32083136  0.67158447  0.44788900
   0.06292365  0.59622852  0.41401066
   0.18895972  0.55858675  0.58282384
   0.35648534  0.72913009  0.77524890
   0.09223496  0.78559646  0.53131852
   0.35269378  1.02984781  0.79825040
   0.47727211  0.92666770  0.64755253
   0.20730255  0.95256842  0.65682822
   0.30707470  0.70474969 -0.03514701
   0.04267620  0.65821308  0.90903488
   0.59990090  0.06307751  0.10365969
   0.83872399  0.17239563  0.23513661
   0.62966625  0.30650559  0.03330519
   0.87285623  0.43073890  0.36893979
   0.03415196  0.38022630  0.20065335
   0.78061583  0.43124011  0.16759919
   0.75386325  0.20561484  0.42631922
   0.51277425  0.12580658  0.41828724
   0.68074624  0.05853648  0.56769939
   0.83410962  0.21291993  0.79186548
   0.57879341  0.32071443  0.54217147
   0.88028277  0.45356551  0.85453152
   0.98582833  0.44963600  0.67252559
   0.72205186  0.41787662  0.69678146
   0.79301041  0.09630959  0.95972335
   0.51363664  0.10354945  0.93898987
   0.58935509  0.55745143  0.06859294
   0.85873724  0.68988329  0.30158144
   0.62741332  0.81191882  0.04673286
   0.86641042  0.96154896  0.35277960
   0.92059531  0.85986772  0.17887587
   0.66800532  0.86642860  0.23140294
   0.80794846  0.67073905  0.47400430
   0.55855603  0.56772317  0.39911310
   0.62875427  0.58217734  0.56857589
   0.83307294  0.70581147  0.80182067
   0.58054485  0.82183968  0.45299510
   0.93146728  0.95211102  0.84611621
   0.95928355  0.85204117  0.67470515
   0.72267013  0.94560368  0.73369743
   0.80280687  0.64532551  0.97771819
   0.55548586  0.66947940  0.90149230
   0.70461865  0.82353322  0.58467695
   0.50388144  0.85178569  0.40827008
   0.91114511  0.25427242  0.07144580
   0.95139236  0.38007942  0.34751743
   0.35655834  0.15950911  0.64131691
   0.28686030  0.79306104  0.78829053
   0.14373019  1.09505912  0.20194915
   0.23119735  1.09096167  0.01332426
   0.66407420  0.34995343  0.86409327
   0.90655558  0.40090425  0.64810447
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811547    0.265202   -0.020315
    -0.000000    9.908414   -0.095697
    -0.000000    0.000000   14.072133
   Si   O    H 
    32    64    10
Direct configuration=  1720
   0.16847328  0.20235442 -0.03646846
   0.37093185  0.10018498  0.36885471
   0.14340813  0.41822929  0.12152406
   0.38915868  0.35266239  0.24615443
   0.10262088  0.15520620  0.48235185
   0.41746134  0.15803084  0.85937463
   0.13825188  0.41318575  0.62763681
   0.38021620  0.39657664  0.76552303
   0.14308275  0.68202014 -0.00066198
   0.40113407  0.60336641  0.36563293
   0.07370474  0.89522936  0.14636892
   0.33872236  0.84853775  0.24663113
   0.16793660  0.65400690  0.49549861
   0.39224243  0.64680716  0.87336067
   0.06851562  0.90870949  0.60318768
   0.34808190  1.02711792  0.68260485
   0.64397889  0.14477249  1.00323345
   0.86344820  0.13371473  0.35142447
   0.63155767  0.41465747  0.11930356
   0.89100382  0.29753556  0.16684301
   0.62587090  0.17736930  0.49010988
   0.90216901  0.10552330  0.86877692
   0.59456520  0.44708712  0.62228761
   0.77335921  0.35832609  0.80162523
   0.64287860  0.67367404 -0.00390707
   0.90385710  0.58942375  0.39371364
   0.58778767  0.90905111  0.13361350
   0.82642271  0.83878006  0.27267853
   0.63877511  0.66901795  0.47428570
   0.89383974  0.60973727  0.88146989
   0.64514740  0.93338828  0.62792009
   0.85757230  0.85581555  0.76496133
   0.08584919  0.05979145  0.14654094
   0.34590927  0.19043869  0.27495443
   0.13887230  0.33947803  0.02233198
   0.36196386  0.44892701  0.33489259
   0.54206691  0.35683608  0.20458478
   0.29394637  0.39731857  0.15881754
   0.25852515  0.10811472  0.45074037
   0.01376749  0.18371623  0.37781797
   0.01823772  0.05228579  0.54250211
   0.47683140  0.25954813  0.78164338
   0.12152937  0.29698706  0.54190021
   0.38625830  0.48468273  0.86143807
   0.45970542  0.48042279  0.67960530
   0.23365419  0.35282786  0.71519810
   0.29304610  0.25619002 -0.09931261
   0.04047645  0.16625743  0.90020169
   0.11862171  0.58326751  0.09696637
   0.39190483  0.68575418  0.27200948
   0.11347850  0.83480496  0.04183273
   0.38656753  0.93969175  0.33400916
   0.42120429  0.88835896  0.15382251
   0.18176389  0.83233549  0.22833720
   0.32177819  0.67010597  0.44840440
   0.06360354  0.59530545  0.41361022
   0.18886474  0.55861183  0.58326811
   0.35662112  0.72771954  0.77612925
   0.09260256  0.78454725  0.53081398
   0.35080282  1.02913586  0.79818129
   0.47856330  0.92775206  0.64747392
   0.20849085  0.95110337  0.65473603
   0.30524348  0.70492529 -0.03435636
   0.04490494  0.65894482  0.90940519
   0.60013702  0.06434205  0.10335631
   0.83905771  0.17192126  0.23433676
   0.62871488  0.30605859  0.03413935
   0.87216516  0.43032710  0.36963014
   0.03475796  0.38080569  0.20173559
   0.78169400  0.43226816  0.16875012
   0.75374798  0.20572195  0.42649824
   0.51414723  0.12572758  0.41813293
   0.68002277  0.05676934  0.56817837
   0.83431802  0.21201444  0.79206338
   0.57919277  0.31938980  0.54133559
   0.88119468  0.45255512  0.85451223
   0.98716787  0.44945818  0.67214593
   0.72259279  0.41767013  0.69725205
   0.78902091  0.09554361  0.95925949
   0.51440524  0.10254212  0.93964491
   0.59061011  0.55708694  0.06891331
   0.85781206  0.68791627  0.30206833
   0.63050549  0.81329221  0.04756265
   0.86614491  0.96321621  0.35162591
   0.91947532  0.86217269  0.17871716
   0.66856725  0.86506651  0.23047830
   0.80696449  0.66794494  0.47366833
   0.55839052  0.56842221  0.39890848
   0.62902490  0.58237843  0.56879271
   0.83266589  0.70571889  0.80176962
   0.58091465  0.82082227  0.45207716
   0.93064503  0.95046121  0.84610013
   0.95991857  0.85255835  0.67424190
   0.72198306  0.94653528  0.73405989
   0.80332841  0.64475767  0.97807647
   0.55548520  0.66868189  0.90176997
   0.70960019  0.81516620  0.58513793
   0.50498427  0.84813041  0.41001295
   0.90782146  0.24744657  0.06748854
   0.95607661  0.37192426  0.35058378
   0.36277744  0.16277324  0.64037322
   0.28503270  0.79586732  0.78506380
   0.14409235  1.09285638  0.20029600
   0.22902010  1.09331681  0.01826057
   0.65704373  0.34771397  0.86317477
   0.90982501  0.39270119  0.64859920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812518    0.265370   -0.020368
    -0.000000    9.909549   -0.090566
    -0.000000    0.000000   14.071984
   Si   O    H 
    32    64    10
Direct configuration=  1721
   0.16784797  0.20220947 -0.03689898
   0.37296815  0.10083561  0.36843656
   0.14277371  0.41958960  0.12152748
   0.38835821  0.35289425  0.24614073
   0.10096929  0.15551554  0.48288437
   0.41650098  0.15832845  0.85909884
   0.13768005  0.41548455  0.62764066
   0.38080221  0.39660765  0.76560524
   0.14393478  0.68292464  0.00001533
   0.40095866  0.60355029  0.36655631
   0.07348286  0.89513596  0.14627588
   0.33850544  0.85002595  0.24614152
   0.16848223  0.65430878  0.49494038
   0.39204458  0.64618107  0.87295432
   0.06812073  0.90862181  0.60281211
   0.34701545  1.02755215  0.68210791
   0.64342380  0.14609208  1.00377398
   0.86355960  0.13363304  0.35044317
   0.63333583  0.41367717  0.11921664
   0.89064051  0.29739916  0.16746191
   0.62561023  0.17680158  0.48994117
   0.90130581  0.10584603  0.86737641
   0.59368215  0.44603777  0.62289975
   0.77269389  0.35990733  0.80203884
   0.64442294  0.67395110 -0.00436698
   0.90352433  0.58850686  0.39328754
   0.58776067  0.90891950  0.13421773
   0.82812030  0.83897860  0.27344229
   0.63910020  0.66985469  0.47400451
   0.89391529  0.60977115  0.88062859
   0.64599309  0.93252466  0.62686535
   0.85707437  0.85638275  0.76407084
   0.08528354  0.05768510  0.14781298
   0.34659749  0.19131371  0.27503988
   0.14063482  0.33975086  0.02268009
   0.36155064  0.44945661  0.33557356
   0.54263728  0.35748153  0.20344635
   0.29603346  0.39470111  0.15956047
   0.25806156  0.10673364  0.45033030
   0.01258279  0.18604430  0.37817769
   0.01888009  0.05219005  0.54300015
   0.47616493  0.25789403  0.78150808
   0.12203057  0.29778742  0.54193705
   0.38662706  0.48633529  0.86125478
   0.45888651  0.47945284  0.67869024
   0.23365940  0.35449607  0.71613331
   0.29317725  0.25499368 -0.09961078
   0.04062657  0.16608783  0.90086233
   0.11802542  0.58229377  0.09648213
   0.39059758  0.68478063  0.27179527
   0.11275495  0.83478113  0.04062472
   0.38689411  0.93853593  0.33417067
   0.42135377  0.88663278  0.15483034
   0.18239782  0.83185300  0.22778575
   0.32246802  0.66972163  0.44908727
   0.06451153  0.59516918  0.41296585
   0.18869837  0.55764491  0.58374866
   0.35687602  0.72737142  0.77753778
   0.09267766  0.78382206  0.53052801
   0.34880016  1.02931632  0.79865186
   0.48027313  0.92907971  0.64707277
   0.20907196  0.94943767  0.65264637
   0.30270182  0.70370191 -0.03336604
   0.04707546  0.65855193  0.90988340
   0.60115299  0.06483319  0.10313080
   0.83993137  0.17232654  0.23371779
   0.62790533  0.30426687  0.03427756
   0.87279436  0.42922440  0.36976263
   0.03463064  0.38079025  0.20303984
   0.78275352  0.43353367  0.16970374
   0.75372461  0.20515714  0.42647022
   0.51600608  0.12548197  0.41743642
   0.67948539  0.05602039  0.56817525
   0.83535835  0.20993592  0.79205147
   0.57888933  0.31814360  0.54073812
   0.88231202  0.45208593  0.85422496
   0.98822061  0.44993149  0.67145079
   0.72267531  0.41696690  0.69784652
   0.78532073  0.09403731  0.95757159
   0.51571360  0.10119605  0.94001364
   0.59195289  0.55626149  0.06878912
   0.85769431  0.68581963  0.30298105
   0.63356535  0.81526791  0.04866026
   0.86616672  0.96531163  0.35087603
   0.91846356  0.86431636  0.17789422
   0.66878704  0.86344730  0.22969556
   0.80658317  0.66501921  0.47336694
   0.55722413  0.56912606  0.39871566
   0.62920032  0.58285884  0.56889506
   0.83245049  0.70579233  0.80118156
   0.58079110  0.82113376  0.45057528
   0.92949111  0.94849922  0.84656298
   0.96071731  0.85319510  0.67360771
   0.72156479  0.94722472  0.73380909
   0.80333361  0.64445633  0.97862585
   0.55514661  0.66731885  0.90145703
   0.71744223  0.80785055  0.58737786
   0.50566849  0.84560505  0.41152098
   0.90573247  0.24458060  0.06371222
   0.95478741  0.36906014  0.35467713
   0.36817553  0.16353353  0.64068739
   0.28420724  0.80009032  0.77925872
   0.14178463  1.08793225  0.19512589
   0.22948573  1.09441748  0.02277313
   0.65027953  0.34718321  0.86480479
   0.91697527  0.38963979  0.65290313
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813444    0.265530   -0.020131
    -0.000000    9.910632   -0.085514
    -0.000000    0.000000   14.072091
   Si   O    H 
    32    64    10
Direct configuration=  1722
   0.16754475  0.20215689 -0.03663895
   0.37474267  0.10120824  0.36762094
   0.14284653  0.42133208  0.12198155
   0.38736046  0.35272016  0.24605892
   0.10012764  0.15583421  0.48324352
   0.41560141  0.15827711  0.85865057
   0.13746976  0.41709068  0.62752139
   0.38145657  0.39719616  0.76526972
   0.14558084  0.68391716  0.00093836
   0.40130369  0.60385836  0.36673510
   0.07365800  0.89451737  0.14636198
   0.33846181  0.85102327  0.24559221
   0.16818952  0.65406631  0.49419307
   0.39147322  0.64530028  0.87261600
   0.06789247  0.90841158  0.60197914
   0.34700333  1.02793156  0.68161921
   0.64286126  0.14760168  1.00439120
   0.86352705  0.13377149  0.34939091
   0.63509533  0.41296462  0.11884507
   0.89079417  0.29726306  0.16818292
   0.62573784  0.17621424  0.48974891
   0.90019903  0.10615317  0.86604311
   0.59307415  0.44478282  0.62311498
   0.77190224  0.36208371  0.80235835
   0.64583562  0.67338818 -0.00459351
   0.90282296  0.58795268  0.39272878
   0.58856033  0.90899924  0.13451624
   0.82955274  0.84028474  0.27452255
   0.63887676  0.67045340  0.47358231
   0.89425467  0.60975920  0.87997127
   0.64655906  0.93187621  0.62621285
   0.85628062  0.85716738  0.76312563
   0.08460677  0.05445763  0.14903698
   0.34736026  0.19246943  0.27457278
   0.14312277  0.33957178  0.02294054
   0.36146660  0.44926660  0.33617956
   0.54193105  0.35769345  0.20303524
   0.29723060  0.39239302  0.16002244
   0.25696097  0.10531795  0.44998727
   0.01151589  0.18801629  0.37851749
   0.01966130  0.05130270  0.54427756
   0.47560803  0.25564101  0.78100506
   0.12284971  0.29829975  0.54226256
   0.38687312  0.48731659  0.86095698
   0.45759780  0.47947451  0.67820010
   0.23333709  0.35598859  0.71744079
   0.29274537  0.25374118 -0.09961418
   0.04062201  0.16560783  0.90198185
   0.11753002  0.58114837  0.09497341
   0.38931252  0.68462795  0.27154007
   0.11249878  0.83512006  0.03971453
   0.38812436  0.93783372  0.33414488
   0.42112328  0.88557762  0.15612434
   0.18210704  0.83201073  0.22681843
   0.32302316  0.66918164  0.44999912
   0.06645582  0.59568934  0.41275846
   0.18819860  0.55712304  0.58433537
   0.35709240  0.72684057  0.77867461
   0.09223363  0.78399359  0.53028235
   0.34639289  1.02958165  0.79905941
   0.48064138  0.93021218  0.64690530
   0.20834901  0.94814666  0.65126771
   0.30022901  0.70271982 -0.03251047
   0.04856850  0.65799046  0.91004423
   0.60179380  0.06466353  0.10336144
   0.84067322  0.17303034  0.23314915
   0.62753978  0.30298973  0.03413748
   0.87387055  0.42850626  0.37039617
   0.03453168  0.38038877  0.20479082
   0.78377156  0.43439459  0.17034418
   0.75400981  0.20458290  0.42612104
   0.51712972  0.12487074  0.41641582
   0.67842850  0.05593978  0.56741925
   0.83643707  0.20779522  0.79185660
   0.57806395  0.31743703  0.54032266
   0.88321839  0.45153270  0.85440530
   0.98965745  0.45027378  0.67094227
   0.72338604  0.41637438  0.69804020
   0.78282257  0.09283211  0.95577934
   0.51675293  0.10007634  0.94036342
   0.59233947  0.55606923  0.06854188
   0.85782877  0.68395000  0.30432225
   0.63618433  0.81708126  0.04926706
   0.86610309  0.96733390  0.34961144
   0.91838036  0.86588170  0.17741750
   0.66854928  0.86189151  0.22945439
   0.80643361  0.66196823  0.47287234
   0.55571835  0.57071888  0.39803965
   0.62870490  0.58357671  0.56959310
   0.83161806  0.70619791  0.80028265
   0.58043538  0.82144626  0.44914630
   0.92884199  0.94656210  0.84675706
   0.96179218  0.85247218  0.67265023
   0.72180573  0.94718236  0.73360836
   0.80328609  0.64430111  0.97879155
   0.55373183  0.66661066  0.90089397
   0.72565885  0.80291904  0.58998187
   0.50392207  0.84465145  0.41026531
   0.90237565  0.24465271  0.06225416
   0.95016903  0.37082995  0.35921884
   0.36899273  0.16191540  0.64100629
   0.28693445  0.80023021  0.77285069
   0.14493612  1.08950979  0.19578652
   0.22655962  1.09467870  0.02543729
   0.64609617  0.34802417  0.86791201
   0.92124474  0.38918360  0.65638588
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814544    0.265469   -0.020285
    -0.000000    9.912113   -0.080464
    -0.000000    0.000000   14.072236
   Si   O    H 
    32    64    10
Direct configuration=  1723
   0.16739735  0.20232116 -0.03606466
   0.37578737  0.10121617  0.36691569
   0.14310798  0.42344151  0.12201406
   0.38648405  0.35285355  0.24635363
   0.09930101  0.15630613  0.48311426
   0.41429622  0.15832298  0.85771650
   0.13701723  0.41857776  0.62700653
   0.38229483  0.39787269  0.76465231
   0.14738382  0.68444613  0.00189170
   0.40191270  0.60371479  0.36655472
   0.07420503  0.89322656  0.14651066
   0.33867032  0.85125518  0.24507412
   0.16801542  0.65341610  0.49334945
   0.39112486  0.64496710  0.87232633
   0.06762661  0.90827443  0.60099942
   0.34697824  1.02826583  0.68086294
   0.64209039  0.14896987  1.00461569
   0.86265868  0.13404026  0.34835885
   0.63688495  0.41204654  0.11854265
   0.89101649  0.29671995  0.16910102
   0.62541340  0.17553546  0.48976278
   0.89918987  0.10663554  0.86492581
   0.59302919  0.44407863  0.62324541
   0.77022053  0.36371256  0.80257477
   0.64663450  0.67362923 -0.00421681
   0.90193275  0.58691977  0.39194546
   0.58871823  0.90904124  0.13466909
   0.83081921  0.84139670  0.27539549
   0.63826333  0.67022043  0.47268991
   0.89426941  0.61001313  0.87958266
   0.64677358  0.93116513  0.62578762
   0.85536840  0.85717302  0.76208528
   0.08427563  0.05209264  0.14964225
   0.34847882  0.19411912  0.27464372
   0.14524730  0.33948979  0.02358681
   0.36147875  0.44966884  0.33646331
   0.54054184  0.35795315  0.20295541
   0.29807483  0.39108143  0.16017301
   0.25536792  0.10412785  0.44993047
   0.01190634  0.18964595  0.37907844
   0.02027384  0.05030468  0.54621365
   0.47441650  0.25390555  0.78027851
   0.12318934  0.29909162  0.54224496
   0.38631327  0.48838556  0.86050821
   0.45608871  0.47881771  0.67775479
   0.23143249  0.35777735  0.71880493
   0.29251825  0.25197586 -0.10006058
   0.04078487  0.16443606  0.90292202
   0.11704434  0.58044674  0.09289738
   0.38757802  0.68541176  0.27134556
   0.11223104  0.83549671  0.03909179
   0.38873606  0.93768687  0.33429330
   0.42228712  0.88476458  0.15677775
   0.18118029  0.83226417  0.22611629
   0.32259724  0.66922567  0.45086263
   0.06775849  0.59607628  0.41261142
   0.18845558  0.55733572  0.58545332
   0.35748505  0.72588409  0.78004509
   0.09216868  0.78464661  0.53028633
   0.34461517  1.02882357  0.80001511
   0.48034492  0.93144747  0.64657091
   0.20857015  0.94708401  0.65049896
   0.29772224  0.70256882 -0.03240327
   0.04990024  0.65709091  0.90961583
   0.60226590  0.06544380  0.10374952
   0.84063454  0.17298721  0.23246000
   0.62648161  0.30202171  0.03407990
   0.87449715  0.42805258  0.37094463
   0.03388204  0.37935557  0.20666426
   0.78486688  0.43498503  0.17087738
   0.75450963  0.20389604  0.42587039
   0.51773744  0.12483857  0.41532783
   0.67706754  0.05664490  0.56614034
   0.83747661  0.20644556  0.79139721
   0.57718401  0.31764356  0.53982383
   0.88446193  0.45157008  0.85475151
   0.99067229  0.45008832  0.67119782
   0.72322655  0.41516179  0.69814312
   0.78120933  0.09258848  0.95408483
   0.51846911  0.09921101  0.93982835
   0.59308194  0.55571021  0.06822304
   0.85842665  0.68296413  0.30547432
   0.63881133  0.81834240  0.04937291
   0.86598666  0.96862468  0.34828896
   0.91862561  0.86768344  0.17708699
   0.66873884  0.86047699  0.22944627
   0.80668298  0.65899474  0.47218129
   0.55461156  0.57256148  0.39782504
   0.62769292  0.58488193  0.57006390
   0.83111386  0.70603775  0.79941806
   0.58010005  0.82183796  0.44805587
   0.92735480  0.94453697  0.84660990
   0.96229856  0.85142574  0.67188702
   0.72249466  0.94643014  0.73335919
   0.80426165  0.64382149  0.97822262
   0.55196434  0.66516823  0.90017719
   0.72816205  0.80350265  0.59335473
   0.49970347  0.84560345  0.40902550
   0.89791340  0.24862606  0.06539599
   0.95082798  0.37200535  0.36183488
   0.36706711  0.16314066  0.64175669
   0.29260188  0.79889495  0.76817038
   0.15201848  1.09369746  0.19860754
   0.22004133  1.09264240  0.02524621
   0.65333330  0.35117849  0.86847896
   0.91872920  0.38047578  0.66046155
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815823    0.264688   -0.020219
    -0.000000    9.913376   -0.075094
    -0.000000    0.000000   14.072760
   Si   O    H 
    32    64    10
Direct configuration=  1724
   0.16744771  0.20264169 -0.03497953
   0.37669063  0.10091683  0.36626544
   0.14307936  0.42535542  0.12194805
   0.38574518  0.35291758  0.24699153
   0.09897947  0.15776124  0.48279859
   0.41268970  0.15806592  0.85700875
   0.13722768  0.41926356  0.62627486
   0.38324266  0.39962166  0.76387246
   0.14881000  0.68523934  0.00256431
   0.40244054  0.60372997  0.36628699
   0.07497435  0.89159693  0.14667156
   0.33855655  0.85065034  0.24439292
   0.16838885  0.65312928  0.49271337
   0.39046890  0.64512053  0.87230842
   0.06789359  0.90770678  0.59998462
   0.34765636  1.02777876  0.68011203
   0.64143900  0.14938314  1.00456360
   0.86156308  0.13386627  0.34754300
   0.63818086  0.41171774  0.11826514
   0.89135970  0.29605622  0.16957836
   0.62560026  0.17478989  0.49000809
   0.89838032  0.10652714  0.86419329
   0.59331199  0.44305901  0.62323561
   0.76806117  0.36477645  0.80276505
   0.64718966  0.67367105 -0.00359280
   0.90099658  0.58557469  0.39122959
   0.58916408  0.90931296  0.13488868
   0.83158009  0.84243476  0.27576979
   0.63817214  0.66942429  0.47222332
   0.89384286  0.61010536  0.87932813
   0.64743466  0.92979908  0.62568838
   0.85435417  0.85737618  0.76079622
   0.08418631  0.05095784  0.15036929
   0.35026628  0.19554632  0.27466422
   0.14698244  0.33973062  0.02439016
   0.36130427  0.44925744  0.33664274
   0.53945869  0.35817298  0.20294790
   0.29815153  0.38953916  0.15997247
   0.25356429  0.10327343  0.44980488
   0.01268319  0.19105547  0.38018327
   0.02104735  0.04899640  0.54806101
   0.47335738  0.25276829  0.77886872
   0.12419402  0.29975184  0.54206266
   0.38563426  0.48896091  0.86038485
   0.45463440  0.47846412  0.67724513
   0.22995865  0.35892430  0.72004972
   0.29246739  0.25074988 -0.10111357
   0.04082061  0.16302230  0.90329121
   0.11628061  0.58090597  0.09124833
   0.38573657  0.68628142  0.27091654
   0.11143384  0.83594454  0.03839350
   0.38916810  0.93838575  0.33449335
   0.42298565  0.88378641  0.15668827
   0.18010712  0.83340393  0.22572062
   0.32166598  0.67016536  0.45179418
   0.06853765  0.59701634  0.41173135
   0.18855311  0.55731488  0.58633720
   0.35753525  0.72558714  0.78120301
   0.09207919  0.78612395  0.53006148
   0.34341400  1.02783366  0.80046695
   0.48027459  0.93219855  0.64636047
   0.20928009  0.94667337  0.64987302
   0.29510055  0.70145849 -0.03289508
   0.05152453  0.65593348  0.90959584
   0.60346999  0.06689283  0.10457649
   0.84026870  0.17274454  0.23300603
   0.62628584  0.30217316  0.03425235
   0.87554366  0.42872332  0.37143189
   0.03297286  0.37775261  0.20790053
   0.78575270  0.43485927  0.17131487
   0.75525386  0.20295980  0.42536830
   0.51719125  0.12475659  0.41450610
   0.67549663  0.05763290  0.56431238
   0.83818597  0.20479678  0.79096966
   0.57583372  0.31779528  0.54003668
   0.88501826  0.45157561  0.85568907
   0.99160979  0.44886158  0.67190203
   0.72377253  0.41331600  0.69836676
   0.77959330  0.09249551  0.95207381
   0.51968347  0.09927504  0.93936887
   0.59458067  0.55499120  0.06755317
   0.85928216  0.68375228  0.30574106
   0.64175004  0.81966651  0.04977583
   0.86530967  0.96960646  0.34721267
   0.91942448  0.86915998  0.17702101
   0.66885699  0.85961923  0.23035404
   0.80641714  0.65543558  0.47160125
   0.55437865  0.57415532  0.39734682
   0.62680533  0.58616374  0.57054992
   0.83068640  0.70521930  0.79850045
   0.58073266  0.82183163  0.44720102
   0.92630887  0.94338933  0.84614678
   0.96186513  0.85008536  0.67196976
   0.72238842  0.94574560  0.73305403
   0.80501703  0.64319700  0.97727603
   0.55045022  0.66421863  0.89948587
   0.72440084  0.80726237  0.59814346
   0.49960763  0.84690452  0.40914972
   0.89235097  0.25518712  0.06902699
   0.95999394  0.36918284  0.36362804
   0.36712096  0.16229684  0.64356416
   0.30052217  0.79999322  0.76236475
   0.14922263  1.09587018  0.19202377
   0.21707839  1.08994950  0.02545392
   0.66399308  0.35722379  0.86970980
   0.92322137  0.37751926  0.66474401
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817432    0.263545   -0.019811
    -0.000000    9.914606   -0.070032
    -0.000000    0.000000   14.073269
   Si   O    H 
    32    64    10
Direct configuration=  1725
   0.16766686  0.20260131 -0.03374982
   0.37706695  0.10007718  0.36570945
   0.14329200  0.42700134  0.12220213
   0.38597641  0.35232436  0.24797548
   0.09927230  0.15938989  0.48271479
   0.41083726  0.15744096  0.85660909
   0.13771791  0.42027856  0.62571624
   0.38335640  0.40054197  0.76306549
   0.14924421  0.68629563  0.00341546
   0.40264754  0.60379892  0.36595116
   0.07555759  0.89016947  0.14665755
   0.33847071  0.84932313  0.24373099
   0.16844350  0.65261383  0.49210848
   0.38998235  0.64569080  0.87270148
   0.06814172  0.90702672  0.59945369
   0.34838499  1.02731949  0.67900541
   0.64149530  0.14868341  1.00464064
   0.86001631  0.13373285  0.34699730
   0.63923533  0.41176747  0.11812859
   0.89157538  0.29553478  0.17004431
   0.62573667  0.17435883  0.49037148
   0.89769873  0.10513056  0.86425783
   0.59404944  0.44156353  0.62338858
   0.76580207  0.36543393  0.80316490
   0.64756197  0.67351030 -0.00324023
   0.90040801  0.58435145  0.39069019
   0.58939697  0.91015923  0.13534054
   0.83143677  0.84339747  0.27533909
   0.63853089  0.66841231  0.47186161
   0.89363764  0.61060758  0.87932179
   0.64812512  0.92863932  0.62637610
   0.85407436  0.85753022  0.75954776
   0.08369509  0.05026722  0.15070003
   0.35178682  0.19634097  0.27474023
   0.14800023  0.34072140  0.02523016
   0.36108850  0.44839485  0.33703797
   0.53849440  0.35903847  0.20305217
   0.29764058  0.38833986  0.15998094
   0.25132153  0.10231804  0.44946284
   0.01249651  0.19236796  0.38078043
   0.02159413  0.04825529  0.54945495
   0.47237757  0.25308750  0.77731799
   0.12490338  0.30011460  0.54213051
   0.38475117  0.48864566  0.85960346
   0.45307565  0.47749008  0.67701952
   0.22877591  0.36053819  0.72170235
   0.29145327  0.24962154 -0.10259883
   0.04031569  0.16223584  0.90329737
   0.11622185  0.58157180  0.08977449
   0.38414321  0.68759537  0.27047647
   0.11040321  0.83668832  0.03810186
   0.38928806  0.93842826  0.33528863
   0.42506541  0.88414112  0.15607749
   0.17875580  0.83494164  0.22513915
   0.32078983  0.67093764  0.45303109
   0.06861138  0.59764137  0.41093879
   0.18915131  0.55773863  0.58669938
   0.35753864  0.72556189  0.78219953
   0.09193830  0.78720867  0.52961292
   0.34287544  1.02694798  0.80020613
   0.48035151  0.93309218  0.64549566
   0.21100998  0.94594130  0.64918994
   0.29399918  0.70001208 -0.03344219
   0.05302517  0.65402704  0.90889948
   0.60479324  0.06878501  0.10561361
   0.84082293  0.17254584  0.23378097
   0.62677624  0.30238545  0.03435274
   0.87715671  0.42968395  0.37231522
   0.03237882  0.37663233  0.20844103
   0.78693203  0.43472229  0.17179346
   0.75651165  0.20239779  0.42503332
   0.51687618  0.12533213  0.41361198
   0.67475114  0.05854604  0.56257494
   0.83909874  0.20345048  0.78962922
   0.57504679  0.31786310  0.54059798
   0.88507937  0.45100679  0.85672430
   0.99200306  0.44756234  0.67254317
   0.72290128  0.41197401  0.69849500
   0.77770314  0.09365638  0.94998710
   0.51997554  0.09932712  0.93836397
   0.59531896  0.55424191  0.06690770
   0.86059704  0.68506155  0.30616122
   0.64504453  0.82073128  0.04973132
   0.86434065  0.96920272  0.34591516
   0.91988058  0.86910459  0.17731277
   0.66970091  0.85849686  0.23138613
   0.80535278  0.65195766  0.47111300
   0.55450964  0.57576200  0.39752100
   0.62690477  0.58740881  0.57122390
   0.82989170  0.70441476  0.79729586
   0.58130998  0.82129925  0.44666577
   0.92569154  0.94267193  0.84587034
   0.96106361  0.84878850  0.67250195
   0.72243580  0.94431015  0.73273948
   0.80575548  0.64296990  0.97600706
   0.54962983  0.66351430  0.89860140
   0.72054777  0.80847396  0.60185069
   0.50311453  0.84818860  0.41206059
   0.88875110  0.25840675  0.07082132
   0.96521441  0.36860404  0.36733131
   0.37094550  0.16106055  0.64389288
   0.30792760  0.80375630  0.75641430
   0.14652391  1.10000048  0.18515500
   0.21401808  1.09063639  0.02425601
   0.66819387  0.36417059  0.87014560
   0.92619709  0.37935895  0.66405078
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818971    0.262598   -0.019205
    -0.000000    9.916063   -0.064667
    -0.000000    0.000000   14.073630
   Si   O    H 
    32    64    10
Direct configuration=  1726
   0.16839569  0.20334521 -0.03283876
   0.37687575  0.09911038  0.36547449
   0.14250670  0.42840458  0.12235257
   0.38705900  0.35157281  0.24874974
   0.09960852  0.16109380  0.48271676
   0.40932257  0.15622207  0.85629627
   0.13792735  0.42113964  0.62537748
   0.38357348  0.40099531  0.76238396
   0.14952010  0.68740244  0.00381700
   0.40259904  0.60320700  0.36551726
   0.07574751  0.88927738  0.14666250
   0.33857658  0.84733168  0.24343392
   0.16876102  0.65279703  0.49189595
   0.38927811  0.64709615  0.87283975
   0.06903041  0.90650742  0.59908493
   0.34876741  1.02657837  0.67812467
   0.64189700  0.14791042  1.00500804
   0.85888831  0.13365030  0.34621155
   0.63975031  0.41229237  0.11844671
   0.89229671  0.29494258  0.17061396
   0.62656536  0.17426970  0.49016160
   0.89690820  0.10368890  0.86499336
   0.59501333  0.44019683  0.62341340
   0.76453840  0.36582381  0.80329749
   0.64795430  0.67364045 -0.00290584
   0.90048686  0.58310621  0.39062028
   0.58943435  0.91079177  0.13555554
   0.83140541  0.84461571  0.27474983
   0.63880812  0.66752114  0.47154737
   0.89335852  0.61061250  0.87967572
   0.64873554  0.92747295  0.62708758
   0.85317872  0.85744149  0.75848506
   0.08282171  0.04952919  0.15129602
   0.35426614  0.19680249  0.27484654
   0.14854162  0.34136048  0.02637339
   0.36024144  0.44869718  0.33757667
   0.53758245  0.35951475  0.20344580
   0.29735720  0.38764695  0.15995237
   0.24941895  0.10157842  0.44913926
   0.01165567  0.19364491  0.38175314
   0.02171286  0.04770979  0.55072865
   0.47215913  0.25545767  0.77560490
   0.12643496  0.30097613  0.54234079
   0.38370627  0.48825753  0.85872227
   0.45160533  0.47709044  0.67682660
   0.22786036  0.36189969  0.72294622
   0.29128843  0.24785059 -0.10337447
   0.03945814  0.16137664  0.90316215
   0.11585969  0.58240673  0.08862156
   0.38191536  0.68895765  0.26979346
   0.10888748  0.83871818  0.03767946
   0.38897438  0.93899627  0.33630919
   0.42760956  0.88545022  0.15488934
   0.17817338  0.83623732  0.22470269
   0.32089713  0.67191770  0.45402145
   0.06860166  0.59778581  0.41061929
   0.19055164  0.55851019  0.58619932
   0.35707339  0.72578035  0.78255662
   0.09192416  0.78734868  0.52896085
   0.34250733  1.02577237  0.79998072
   0.48038700  0.93342973  0.64498099
   0.21209386  0.94538571  0.64854353
   0.29466392  0.69887526 -0.03453005
   0.05365424  0.65118872  0.90815355
   0.60624947  0.07029975  0.10613660
   0.84147514  0.17253747  0.23449586
   0.62742110  0.30261226  0.03446382
   0.87845630  0.42983109  0.37366684
   0.03168717  0.37569526  0.20869036
   0.78852041  0.43345931  0.17241771
   0.75923053  0.20149896  0.42439151
   0.51676095  0.12557154  0.41261659
   0.67511285  0.06030414  0.56145500
   0.83904345  0.20376537  0.78792275
   0.57408587  0.31911263  0.54163717
   0.88550582  0.45061397  0.85795953
   0.99164499  0.44672980  0.67351295
   0.72195120  0.41077363  0.69811216
   0.77653041  0.09592948  0.94835491
   0.51891053  0.09955146  0.93689021
   0.59528238  0.55307585  0.06563049
   0.86240842  0.68706342  0.30604786
   0.64737205  0.82133688  0.04972627
   0.86287113  0.96814390  0.34480355
   0.91975538  0.86843768  0.17751655
   0.67098911  0.85685792  0.23261887
   0.80433812  0.64900107  0.47108620
   0.55509676  0.57599514  0.39758935
   0.62684342  0.58914713  0.57218273
   0.82926009  0.70370779  0.79588307
   0.58237740  0.82005845  0.44642681
   0.92527015  0.94161193  0.84567019
   0.96049766  0.84768578  0.67295042
   0.72174872  0.94392267  0.73230990
   0.80722864  0.64194263  0.97448825
   0.54954009  0.66309061  0.89810550
   0.71614300  0.80289077  0.60103997
   0.49919385  0.85274669  0.41288750
   0.88588435  0.25967448  0.07063233
   0.96079590  0.37399218  0.37032337
   0.37352202  0.16066717  0.64265692
   0.31308849  0.80600028  0.75290502
   0.15310127  1.10651607  0.18328991
   0.21089927  1.08983917  0.02315121
   0.66345469  0.37283408  0.87368586
   0.92423230  0.37895428  0.66387633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820594    0.261276   -0.018398
    -0.000000    9.917002   -0.059217
    -0.000000    0.000000   14.073585
   Si   O    H 
    32    64    10
Direct configuration=  1727
   0.16885194  0.20415229 -0.03212250
   0.37661817  0.09770146  0.36596101
   0.14191360  0.42928742  0.12264313
   0.38814578  0.35095962  0.24967808
   0.09969816  0.16245521  0.48282744
   0.40747448  0.15416810  0.85590646
   0.13817426  0.42161112  0.62546880
   0.38350546  0.40096876  0.76168685
   0.14954585  0.68831783  0.00439075
   0.40268851  0.60188120  0.36508789
   0.07629951  0.88829333  0.14636361
   0.33848401  0.84496721  0.24368773
   0.16925505  0.65330950  0.49214648
   0.38913094  0.64806488  0.87331080
   0.07022178  0.90627352  0.59930184
   0.34946603  1.02597893  0.67711528
   0.64210390  0.14686864  1.00519065
   0.85790251  0.13328629  0.34540634
   0.63988660  0.41271209  0.11852588
   0.89314557  0.29465835  0.17129235
   0.62729921  0.17483779  0.49000723
   0.89592216  0.10223590  0.86575137
   0.59580523  0.43902773  0.62336800
   0.76352572  0.36520749  0.80378907
   0.64826501  0.67379386 -0.00269250
   0.90105178  0.58207373  0.39068252
   0.58918853  0.91175395  0.13595205
   0.83091230  0.84491884  0.27382278
   0.63854848  0.66605778  0.47090573
   0.89310969  0.61067111  0.88038105
   0.64909486  0.92622910  0.62774791
   0.85289738  0.85768056  0.75795914
   0.08244592  0.04944713  0.15160015
   0.35617871  0.19686787  0.27498722
   0.14891747  0.34258416  0.02773844
   0.35919381  0.44898337  0.33820420
   0.53652851  0.36007887  0.20366707
   0.29645974  0.38752881  0.16002128
   0.24739700  0.10110112  0.44865959
   0.01028011  0.19446882  0.38281135
   0.02196728  0.04730987  0.55191778
   0.47256806  0.25785558  0.77417584
   0.12730746  0.30156441  0.54252118
   0.38243694  0.48756127  0.85875465
   0.45129991  0.47647332  0.67671563
   0.22728866  0.36286039  0.72371902
   0.29049503  0.24615390 -0.10348959
   0.03884386  0.15983800  0.90350218
   0.11531447  0.58310003  0.08725994
   0.37893922  0.68993037  0.26920055
   0.10699389  0.83998204  0.03756869
   0.38835140  0.93967326  0.33731214
   0.42998470  0.88766056  0.15338233
   0.17790315  0.83710671  0.22426539
   0.32168917  0.67269158  0.45496921
   0.06754447  0.59825839  0.41057061
   0.19234759  0.55970614  0.58590517
   0.35685614  0.72606146  0.78203091
   0.09212104  0.78732222  0.52828193
   0.34186344  1.02547757  0.79969347
   0.48013789  0.93311900  0.64413117
   0.21348527  0.94492548  0.64824618
   0.29600186  0.69695244 -0.03593896
   0.05323053  0.64848964  0.90742951
   0.60748286  0.07141941  0.10676047
   0.84208296  0.17321399  0.23514852
   0.62857686  0.30221458  0.03455419
   0.87813766  0.42967612  0.37404579
   0.03077176  0.37476824  0.20867906
   0.78971961  0.43197075  0.17247316
   0.76118184  0.20080545  0.42382142
   0.51648954  0.12546485  0.41220519
   0.67515274  0.06182688  0.56048505
   0.83885239  0.20492784  0.78603424
   0.57356263  0.32043962  0.54268204
   0.88639982  0.44947197  0.85878771
   0.99173274  0.44627262  0.67402050
   0.71987899  0.41031196  0.69786766
   0.77468698  0.09825055  0.94692536
   0.51730760  0.09945637  0.93526486
   0.59601644  0.55164118  0.06474087
   0.86451900  0.68904044  0.30612877
   0.64959408  0.82129918  0.04907514
   0.86042059  0.96723464  0.34383978
   0.91972111  0.86803675  0.17747112
   0.67162360  0.85593338  0.23396207
   0.80412985  0.64699581  0.47091898
   0.55600832  0.57615702  0.39674578
   0.62662421  0.59051308  0.57355407
   0.82885349  0.70352929  0.79444350
   0.58348706  0.81816075  0.44591200
   0.92521251  0.94033701  0.84505131
   0.96055299  0.84794565  0.67320077
   0.72037657  0.94361849  0.73193924
   0.80843871  0.64184894  0.97312367
   0.54991475  0.66284135  0.89814037
   0.71343590  0.79369509  0.59647302
   0.49664561  0.85448802  0.41392879
   0.88564745  0.25572247  0.06979931
   0.95735508  0.37901255  0.37273310
   0.37419736  0.15819665  0.64101624
   0.32220019  0.80232532  0.75394053
   0.15261543  1.10824172  0.18091150
   0.20951036  1.08913509  0.02172884
   0.65375209  0.37757652  0.87977131
   0.92325680  0.37911191  0.66189984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821584    0.259869   -0.016820
    -0.000000    9.918343   -0.053137
    -0.000000    0.000000   14.073405
   Si   O    H 
    32    64    10
Direct configuration=  1728
   0.16887766  0.20501790 -0.03218364
   0.37552073  0.09639758  0.36669159
   0.14205205  0.43024758  0.12300605
   0.38878756  0.35148729  0.25005571
   0.09918635  0.16364927  0.48273031
   0.40601447  0.15276113  0.85506930
   0.13747578  0.42125712  0.62572835
   0.38302072  0.40100301  0.76106487
   0.14960317  0.68900624  0.00450248
   0.40344254  0.60046207  0.36488281
   0.07640434  0.88752179  0.14614904
   0.33850492  0.84280462  0.24364921
   0.16979650  0.65384552  0.49236804
   0.38953571  0.64898377  0.87363536
   0.07124766  0.90645856  0.59914089
   0.35035944  1.02492331  0.67588635
   0.64215384  0.14580039  1.00543656
   0.85752461  0.13319737  0.34459196
   0.63991662  0.41326077  0.11901384
   0.89411269  0.29477707  0.17222890
   0.62766479  0.17584419  0.49003854
   0.89517978  0.10090281  0.86642663
   0.59674832  0.43884634  0.62300632
   0.76300551  0.36396308  0.80434381
   0.64863219  0.67362433 -0.00239913
   0.90173617  0.58113094  0.39055321
   0.58924190  0.91290253  0.13638167
   0.83097561  0.84514773  0.27282609
   0.63860292  0.66490912  0.47038723
   0.89364302  0.61104723  0.88082388
   0.64955526  0.92470024  0.62856428
   0.85297595  0.85783400  0.75748280
   0.08199835  0.04988115  0.15190452
   0.35797066  0.19668006  0.27491659
   0.14870306  0.34405171  0.02868796
   0.35817828  0.44876353  0.33886603
   0.53549904  0.36027138  0.20332426
   0.29557416  0.38705752  0.15980056
   0.24604901  0.10138769  0.44858115
   0.00885676  0.19556202  0.38409091
   0.02274317  0.04715887  0.55238889
   0.47318214  0.25980423  0.77335775
   0.12741387  0.30203477  0.54295608
   0.38109300  0.48653812  0.85859965
   0.45089958  0.47560869  0.67657628
   0.22703154  0.36436961  0.72399248
   0.28986011  0.24588197 -0.10407410
   0.03720272  0.15905412  0.90403528
   0.11421332  0.58259614  0.08601025
   0.37597892  0.69073649  0.26857445
   0.10481174  0.84154413  0.03732426
   0.38688881  0.94007777  0.33742710
   0.43065025  0.89077897  0.15203403
   0.17824579  0.83763489  0.22460489
   0.32238111  0.67307032  0.45554698
   0.06632882  0.59856187  0.41013411
   0.19443880  0.56151818  0.58550987
   0.35749196  0.72585902  0.78162072
   0.09161880  0.78752102  0.52767271
   0.34120890  1.02532357  0.79902816
   0.48036947  0.93271661  0.64338396
   0.21495709  0.94481536  0.64852513
   0.29767115  0.69526481 -0.03735772
   0.05271871  0.64651828  0.90674785
   0.60799571  0.07255572  0.10728238
   0.84267809  0.17407773  0.23608034
   0.62970056  0.30135155  0.03443196
   0.87676897  0.42939290  0.37411422
   0.03055484  0.37346222  0.20792267
   0.79033114  0.42998834  0.17206302
   0.76223292  0.19965185  0.42313040
   0.51621683  0.12537661  0.41215622
   0.67619710  0.06291990  0.55980724
   0.83929250  0.20657206  0.78412029
   0.57410641  0.32077005  0.54339653
   0.88626923  0.44884116  0.85902337
   0.99157177  0.44563208  0.67526838
   0.71762460  0.40894104  0.69729800
   0.77333163  0.10066657  0.94597695
   0.51530640  0.09966443  0.93367696
   0.59677062  0.55029503  0.06382666
   0.86654824  0.69144448  0.30604096
   0.65208193  0.82197899  0.04776321
   0.85907887  0.96582947  0.34310759
   0.91994498  0.86803206  0.17747182
   0.67145059  0.85550374  0.23491847
   0.80372643  0.64484402  0.47085766
   0.55683054  0.57645830  0.39589001
   0.62616958  0.59194430  0.57468535
   0.82846016  0.70328733  0.79325905
   0.58517408  0.81760730  0.44506685
   0.92550615  0.93867449  0.84445907
   0.96054586  0.84767403  0.67349645
   0.71815349  0.94349577  0.73107125
   0.80890336  0.64192719  0.97150167
   0.55142342  0.66316194  0.89824266
   0.71011860  0.78919212  0.59005622
   0.49852863  0.85393525  0.41732918
   0.89207084  0.25018959  0.07005897
   0.96228392  0.37500121  0.37437857
   0.37174273  0.15515669  0.63858607
   0.32596587  0.80348931  0.75128650
   0.14926664  1.10656895  0.17959664
   0.20987975  1.08501020  0.02170783
   0.64790296  0.37986268  0.88262848
   0.91982887  0.37896871  0.65824154
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822541    0.257908   -0.015081
    -0.000000    9.919547   -0.047144
    -0.000000    0.000000   14.073541
   Si   O    H 
    32    64    10
Direct configuration=  1729
   0.16849159  0.20565518 -0.03231181
   0.37466106  0.09576258  0.36776393
   0.14227155  0.43122753  0.12375396
   0.38937295  0.35253999  0.24973986
   0.09861800  0.16491297  0.48251126
   0.40478734  0.15199473  0.85391677
   0.13661588  0.42046699  0.62572969
   0.38221503  0.40075013  0.76055765
   0.14922214  0.69016687  0.00390543
   0.40367680  0.59911209  0.36498730
   0.07623392  0.88689707  0.14562789
   0.33896353  0.84032134  0.24372073
   0.17037957  0.65425252  0.49251932
   0.39048801  0.65015805  0.87405659
   0.07253647  0.90654813  0.59916618
   0.35046248  1.02423576  0.67518551
   0.64212508  0.14513352  1.00531672
   0.85742561  0.13250412  0.34390238
   0.63935646  0.41403376  0.11980466
   0.89467486  0.29508277  0.17298710
   0.62846971  0.17663599  0.49005820
   0.89437234  0.09959018  0.86731646
   0.59707133  0.43922534  0.62214636
   0.76239039  0.36261143  0.80469664
   0.64922435  0.67348049 -0.00238792
   0.90233023  0.58057390  0.39031871
   0.58902942  0.91457395  0.13721731
   0.83088436  0.84491066  0.27180921
   0.63932503  0.66343187  0.46954800
   0.89455537  0.61179790  0.88079822
   0.64849991  0.92319294  0.62906393
   0.85293884  0.85749160  0.75707504
   0.08131486  0.05077860  0.15180062
   0.35929779  0.19623154  0.27518867
   0.14790790  0.34513865  0.02937631
   0.35748429  0.44854054  0.33995890
   0.53457621  0.36048077  0.20290317
   0.29446081  0.38631566  0.16030055
   0.24456052  0.10177609  0.44811085
   0.00792534  0.19642442  0.38489554
   0.02310734  0.04857711  0.55252024
   0.47390029  0.26181659  0.77293781
   0.12773417  0.30234993  0.54298771
   0.37923197  0.48596308  0.85846776
   0.45032180  0.47449735  0.67611592
   0.22671088  0.36597302  0.72414605
   0.28921035  0.24517640 -0.10440960
   0.03530260  0.15844597  0.90424584
   0.11258945  0.58208162  0.08533258
   0.37267135  0.69190919  0.26871354
   0.10336760  0.84262788  0.03670142
   0.38568312  0.93945307  0.33756179
   0.43106282  0.89329764  0.15071338
   0.17867296  0.83813805  0.22537419
   0.32312896  0.67288118  0.45579345
   0.06485609  0.59949404  0.40938759
   0.19575990  0.56323887  0.58559594
   0.35740555  0.72609690  0.78072042
   0.09191961  0.78837263  0.52691666
   0.34057593  1.02550639  0.79790296
   0.48137442  0.93278528  0.64243549
   0.21599651  0.94487699  0.64902667
   0.29922444  0.69367895 -0.03852352
   0.05238135  0.64551229  0.90644910
   0.60864761  0.07352779  0.10773896
   0.84311131  0.17493536  0.23717472
   0.63137617  0.30089419  0.03452597
   0.87504703  0.42871776  0.37402881
   0.03124264  0.37255945  0.20667689
   0.78985805  0.42831582  0.17160115
   0.76324408  0.19870185  0.42164334
   0.51665719  0.12463329  0.41238041
   0.67753782  0.06310371  0.55994020
   0.83939370  0.20827839  0.78252507
   0.57488839  0.31958966  0.54450287
   0.88606832  0.44796057  0.85993684
   0.99129486  0.44611676  0.67640257
   0.71635320  0.40720427  0.69679276
   0.77279991  0.10254311  0.94526161
   0.51362876  0.09935130  0.93257297
   0.59653598  0.54926671  0.06301952
   0.86799747  0.69405043  0.30555723
   0.65429758  0.82194555  0.04626108
   0.85741108  0.96486937  0.34287228
   0.91964802  0.86814307  0.17740440
   0.66997551  0.85482226  0.23563452
   0.80332837  0.64268705  0.47050877
   0.55737390  0.57667531  0.39512533
   0.62586517  0.59190543  0.57554363
   0.82806788  0.70311755  0.79192385
   0.58732259  0.81776609  0.44443927
   0.92575317  0.93801316  0.84412788
   0.96054408  0.84748398  0.67345123
   0.71641710  0.94397436  0.73074341
   0.80874626  0.64183454  0.97024323
   0.55317301  0.66315700  0.89817995
   0.70527543  0.79450481  0.58560668
   0.49942251  0.85221482  0.42141379
   0.90214658  0.24330328  0.06948007
   0.96651385  0.36972662  0.37526049
   0.36847168  0.15583943  0.63586432
   0.32506651  0.81182787  0.74607022
   0.15264058  1.10507057  0.17971332
   0.21176066  1.08070401  0.02160516
   0.65007696  0.37762778  0.87948327
   0.91978742  0.38079404  0.65629541
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823970    0.255711   -0.013795
    -0.000000    9.920677   -0.041051
    -0.000000    0.000000   14.073713
   Si   O    H 
    32    64    10
Direct configuration=  1730
   0.16818732  0.20586984 -0.03221872
   0.37309330  0.09579269  0.36864272
   0.14263494  0.43136863  0.12439938
   0.38981812  0.35339322  0.25002051
   0.09859462  0.16624499  0.48220068
   0.40382631  0.15089581  0.85281152
   0.13579592  0.41972795  0.62578566
   0.38093341  0.40083390  0.76014882
   0.14802813  0.69084923  0.00311329
   0.40495851  0.59775617  0.36505480
   0.07584375  0.88697815  0.14513404
   0.33929149  0.83880944  0.24362834
   0.17058015  0.65481477  0.49275477
   0.39191304  0.65108431  0.87410057
   0.07352488  0.90634704  0.59961001
   0.35067921  1.02406755  0.67477425
   0.64216344  0.14397973  1.00503688
   0.85761515  0.13199430  0.34334975
   0.63853276  0.41438518  0.12025846
   0.89554072  0.29516308  0.17363348
   0.62893609  0.17744561  0.48977977
   0.89401067  0.09808999  0.86843419
   0.59709533  0.44098387  0.62128748
   0.76252383  0.36095696  0.80497538
   0.64958825  0.67315734 -0.00265041
   0.90314167  0.57980133  0.39010146
   0.58884648  0.91616898  0.13808558
   0.83039057  0.84484738  0.27045539
   0.63988289  0.66186441  0.46938139
   0.89561444  0.61263947  0.88080700
   0.64735203  0.92131367  0.62911525
   0.85294308  0.85737973  0.75647195
   0.08149493  0.05163910  0.15207943
   0.36023531  0.19593321  0.27580702
   0.14750033  0.34496663  0.02960406
   0.35714340  0.44835135  0.34130246
   0.53430454  0.36075553  0.20179736
   0.29330318  0.38533676  0.16135307
   0.24281095  0.10213784  0.44774762
   0.00634218  0.19719973  0.38575416
   0.02389896  0.04984595  0.55213171
   0.47391884  0.26309210  0.77267607
   0.12750176  0.30283417  0.54315486
   0.37769381  0.48584949  0.85873346
   0.45091690  0.47379207  0.67511022
   0.22559157  0.36734003  0.72379584
   0.28812242  0.24394683 -0.10459316
   0.03350866  0.15752582  0.90474188
   0.11099153  0.58215985  0.08458138
   0.36994527  0.69242674  0.26912519
   0.10256304  0.84374738  0.03620169
   0.38367577  0.93925465  0.33745184
   0.43082889  0.89511973  0.15013580
   0.17937594  0.83909972  0.22607164
   0.32304845  0.67291259  0.45518682
   0.06347718  0.60042358  0.40859950
   0.19704688  0.56423460  0.58534564
   0.35732969  0.72716979  0.77943404
   0.09232925  0.78846197  0.52553305
   0.34076053  1.02517059  0.79671430
   0.48177757  0.93251944  0.64169142
   0.21730501  0.94438326  0.64931874
   0.30111577  0.69234679 -0.03974575
   0.05247192  0.64430449  0.90636966
   0.60975506  0.07394522  0.10800944
   0.84424290  0.17633920  0.23830223
   0.63293925  0.30075303  0.03469958
   0.87427296  0.42748719  0.37391141
   0.03262631  0.37117635  0.20544641
   0.78878735  0.42660262  0.17131825
   0.76302361  0.19857315  0.42088962
   0.51799322  0.12365721  0.41304688
   0.67809398  0.06226824  0.56061221
   0.83892316  0.21054830  0.78141730
   0.57583983  0.31793901  0.54526167
   0.88507063  0.44722056  0.86007192
   0.98984046  0.44609767  0.67716982
   0.71602265  0.40590550  0.69709409
   0.77188648  0.10406975  0.94529690
   0.51199309  0.09896968  0.93169191
   0.59680525  0.54950882  0.06255638
   0.86933755  0.69554553  0.30545109
   0.65611784  0.82182189  0.04481258
   0.85580368  0.96404066  0.34288316
   0.91894445  0.86770743  0.17702334
   0.66772936  0.85468368  0.23557647
   0.80303470  0.64038548  0.47012669
   0.55799040  0.57686000  0.39414040
   0.62565781  0.59137341  0.57581785
   0.82782022  0.70300438  0.79126951
   0.58933384  0.81735978  0.44421153
   0.92622137  0.93739340  0.84363781
   0.96166506  0.84680132  0.67299469
   0.71465580  0.94376485  0.73089075
   0.80848942  0.64276828  0.96958950
   0.55476926  0.66324161  0.89877645
   0.70234211  0.80390575  0.58476788
   0.50055475  0.85180545  0.42230353
   0.91332477  0.23857763  0.06988750
   0.95953606  0.36897748  0.37483218
   0.36164243  0.15842469  0.63643027
   0.32471327  0.80962517  0.74428025
   0.15542345  1.10503073  0.18168651
   0.21499208  1.07632160  0.02054188
   0.65392187  0.37333483  0.87362368
   0.92097981  0.38544910  0.65508414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825255    0.253214   -0.012464
    -0.000000    9.921333   -0.035209
    -0.000000    0.000000   14.073726
   Si   O    H 
    32    64    10
Direct configuration=  1731
   0.16700790  0.20674627 -0.03188756
   0.37120417  0.09570884  0.36988666
   0.14290873  0.43125122  0.12490654
   0.38941683  0.35344956  0.25010499
   0.09831663  0.16661040  0.48180049
   0.40326327  0.15023235  0.85185548
   0.13540643  0.41923396  0.62584568
   0.37961492  0.40062753  0.76012100
   0.14665775  0.69143822  0.00220579
   0.40572365  0.59679153  0.36512819
   0.07557182  0.88800882  0.14476703
   0.33940909  0.83801626  0.24344994
   0.17067593  0.65579697  0.49316900
   0.39429522  0.65135240  0.87360183
   0.07516443  0.90639976  0.59999339
   0.35153816  1.02375037  0.67430151
   0.64231942  0.14285689  1.00479035
   0.85813091  0.13129693  0.34295280
   0.63781121  0.41425780  0.12062987
   0.89635919  0.29504968  0.17377931
   0.62952043  0.17841130  0.48964824
   0.89328433  0.09676751  0.86954399
   0.59636278  0.44259230  0.62043848
   0.76287350  0.35889293  0.80527049
   0.64955822  0.67340275 -0.00290407
   0.90432294  0.57925413  0.39002571
   0.58896516  0.91770637  0.13837802
   0.82921041  0.84467347  0.26924832
   0.64030277  0.66097933  0.46940298
   0.89680071  0.61316770  0.88031880
   0.64590818  0.91929555  0.62875843
   0.85310385  0.85767268  0.75605514
   0.08197416  0.05307583  0.15236519
   0.36076949  0.19553338  0.27600868
   0.14695510  0.34379967  0.02970886
   0.35754658  0.44780596  0.34306069
   0.53416140  0.36120718  0.19997624
   0.29331320  0.38426698  0.16192111
   0.24094646  0.10280875  0.44734247
   0.00497620  0.19796968  0.38597933
   0.02411000  0.05205485  0.55154806
   0.47425440  0.26375771  0.77281097
   0.12753090  0.30359033  0.54311806
   0.37665672  0.48627843  0.85920753
   0.45164699  0.47328032  0.67386794
   0.22390689  0.36802086  0.72339010
   0.28615476  0.24373129 -0.10414225
   0.03286460  0.15736908  0.90519773
   0.11029861  0.58336738  0.08363973
   0.36896269  0.69101150  0.26987629
   0.10141124  0.84453187  0.03588054
   0.38215180  0.93841400  0.33756722
   0.42955392  0.89691640  0.14970001
   0.18052488  0.84010234  0.22635711
   0.32326125  0.67335176  0.45410154
   0.06318074  0.60117993  0.40862818
   0.19866254  0.56467673  0.58523296
   0.35747590  0.72862368  0.77792702
   0.09259673  0.78887673  0.52428276
   0.34131711  1.02555436  0.79574972
   0.48205299  0.93262353  0.64145453
   0.21745420  0.94333496  0.65039063
   0.30244039  0.69144249 -0.04041272
   0.05370731  0.64304778  0.90620816
   0.61059779  0.07394345  0.10810423
   0.84473475  0.17796041  0.23923171
   0.63458192  0.30160464  0.03497445
   0.87359757  0.42637203  0.37356983
   0.03407955  0.37014440  0.20431625
   0.78828046  0.42383305  0.17102320
   0.76223965  0.19847497  0.42033704
   0.51845777  0.12407233  0.41393166
   0.67827423  0.05985388  0.56089267
   0.83790342  0.21244588  0.78069308
   0.57678831  0.31597769  0.54651656
   0.88449530  0.44723828  0.85957678
   0.98879184  0.44555150  0.67786809
   0.71557273  0.40441098  0.69721197
   0.77185852  0.10540950  0.94585337
   0.51063339  0.09853586  0.93075274
   0.59737276  0.55051756  0.06255397
   0.87114917  0.69625184  0.30609071
   0.65718499  0.82218464  0.04375630
   0.85371901  0.96301395  0.34352902
   0.91801954  0.86737816  0.17664511
   0.66557114  0.85447098  0.23556619
   0.80278169  0.63829783  0.47029811
   0.55924428  0.57597578  0.39285364
   0.62471464  0.59105007  0.57614262
   0.82844264  0.70288460  0.79091617
   0.59142780  0.81639092  0.44430731
   0.92662019  0.93592910  0.84328425
   0.96285571  0.84527818  0.67263902
   0.71329428  0.94405891  0.73091524
   0.80877878  0.64456917  0.97025550
   0.55636746  0.66313825  0.89991064
   0.70197588  0.80875273  0.58338447
   0.50372547  0.85054764  0.42344697
   0.92182951  0.23644891  0.07330227
   0.95043248  0.37258635  0.37510956
   0.35522637  0.16243213  0.63726504
   0.32819893  0.79942192  0.74744454
   0.15689139  1.09861677  0.18342456
   0.21815114  1.07722932  0.01786131
   0.65599945  0.36587855  0.86988848
   0.91641552  0.38887939  0.65252115
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826438    0.250780   -0.011006
    -0.000000    9.922321   -0.029560
    -0.000000    0.000000   14.074114
   Si   O    H 
    32    64    10
Direct configuration=  1732
   0.16567533  0.20737119 -0.03147838
   0.37028254  0.09581990  0.37110863
   0.14296768  0.43142599  0.12549009
   0.38946873  0.35310558  0.25037344
   0.09757652  0.16651315  0.48222349
   0.40324433  0.14996102  0.85087651
   0.13530309  0.41841216  0.62647833
   0.37870480  0.40048824  0.75993666
   0.14568750  0.69194899  0.00107240
   0.40621157  0.59638653  0.36512342
   0.07483155  0.88962919  0.14497649
   0.34115855  0.83781679  0.24346002
   0.17035874  0.65610359  0.49361969
   0.39753080  0.65111062  0.87288496
   0.07662985  0.90626840  0.60093378
   0.35233000  1.02385457  0.67396427
   0.64208126  0.14198862  1.00440946
   0.85910600  0.13014586  0.34325870
   0.63675427  0.41358660  0.12082417
   0.89717608  0.29484517  0.17331340
   0.63031982  0.17968780  0.48950395
   0.89247760  0.09565466  0.87030514
   0.59506536  0.44394111  0.61947733
   0.76285822  0.35679986  0.80531364
   0.64929788  0.67379419 -0.00369342
   0.90521785  0.57894117  0.38953020
   0.58905280  0.91833768  0.13857527
   0.82810499  0.84448618  0.26826292
   0.64107576  0.66056744  0.46968287
   0.89741422  0.61338140  0.87985482
   0.64350408  0.91765388  0.62837229
   0.85345713  0.85752725  0.75558895
   0.08263684  0.05469856  0.15226152
   0.36068045  0.19395233  0.27620391
   0.14574505  0.34301633  0.02924645
   0.35777385  0.44703110  0.34457219
   0.53410248  0.36228204  0.19810106
   0.29312193  0.38393122  0.16264295
   0.23981427  0.10361451  0.44668464
   0.00419666  0.19834365  0.38586209
   0.02487393  0.05341204  0.55080597
   0.47327665  0.26414643  0.77342174
   0.12692856  0.30452005  0.54287060
   0.37573011  0.48676474  0.85960842
   0.45234661  0.47257021  0.67276725
   0.22288887  0.36883008  0.72288749
   0.28442019  0.24275232 -0.10339651
   0.03225342  0.15725985  0.90586787
   0.10926753  0.58495785  0.08268808
   0.36978337  0.68836409  0.27080523
   0.10038074  0.84471541  0.03562112
   0.38044884  0.93778365  0.33748091
   0.42798952  0.89844004  0.14915018
   0.18218907  0.84134734  0.22601862
   0.32381055  0.67338604  0.45272435
   0.06398864  0.60164856  0.40924726
   0.19921395  0.56374329  0.58495883
   0.35784029  0.72818421  0.77736196
   0.09293408  0.78920059  0.52264481
   0.34216198  1.02665494  0.79462725
   0.48278639  0.93288846  0.64097803
   0.21683926  0.94167022  0.65153917
   0.30309576  0.69109640 -0.04063556
   0.05482430  0.64206132  0.90645366
   0.61122505  0.07423431  0.10799360
   0.84526982  0.17927295  0.23985546
   0.63630827  0.30231906  0.03484634
   0.87178208  0.42586479  0.37368525
   0.03611206  0.36959593  0.20344028
   0.78781718  0.42095300  0.17019845
   0.76154365  0.19784570  0.41989359
   0.51894983  0.12445366  0.41470303
   0.67794222  0.05738516  0.56133982
   0.83752823  0.21405742  0.78011682
   0.57691888  0.31469545  0.54793117
   0.88488667  0.44679013  0.85927804
   0.98733417  0.44506603  0.67871757
   0.71475754  0.40325682  0.69743567
   0.77247958  0.10602658  0.94640350
   0.50944692  0.09774678  0.92978450
   0.59767139  0.55193625  0.06262040
   0.87304836  0.69762940  0.30615571
   0.65820315  0.82292357  0.04302909
   0.85173923  0.96236127  0.34412725
   0.91752576  0.86680419  0.17636414
   0.66427680  0.85441212  0.23489893
   0.80273062  0.63697455  0.46985541
   0.56078504  0.57540668  0.39082538
   0.62336766  0.59117070  0.57582868
   0.82992525  0.70289631  0.79064856
   0.59353169  0.81605814  0.44479142
   0.92715118  0.93434481  0.84310837
   0.96423615  0.84412835  0.67192963
   0.71249208  0.94447611  0.73127352
   0.80898098  0.64615673  0.97112972
   0.55813512  0.66398049  0.90124823
   0.70414939  0.80717987  0.58231512
   0.50530039  0.85056214  0.42397500
   0.92390442  0.23888616  0.07960748
   0.95450949  0.36621920  0.37517198
   0.34921250  0.16885906  0.64065252
   0.32079430  0.81312173  0.74015602
   0.15696635  1.09296081  0.18576462
   0.21882415  1.08359767  0.01556338
   0.65373298  0.35830773  0.87057028
   0.91493130  0.39590199  0.65299358
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827829    0.248327   -0.009905
    -0.000000    9.923293   -0.023885
    -0.000000    0.000000   14.074488
   Si   O    H 
    32    64    10
Direct configuration=  1733
   0.16455396  0.20706043 -0.03091986
   0.36936122  0.09626067  0.37230283
   0.14243824  0.43152748  0.12565163
   0.38975562  0.35234645  0.25096846
   0.09704649  0.16753720  0.48248942
   0.40424905  0.15009998  0.85006065
   0.13538095  0.41777705  0.62715191
   0.37798189  0.39974868  0.76017677
   0.14524248  0.69284699 -0.00073346
   0.40626150  0.59630928  0.36510810
   0.07419781  0.89068963  0.14532884
   0.34292540  0.83875449  0.24367847
   0.16914181  0.65632902  0.49359980
   0.40043456  0.65072646  0.87235513
   0.07784439  0.90658751  0.60140996
   0.35320315  1.02464248  0.67354687
   0.64109082  0.14143770  1.00421049
   0.86037786  0.12901919  0.34393980
   0.63567242  0.41343282  0.12082913
   0.89804875  0.29493773  0.17249823
   0.63106200  0.18063652  0.48948533
   0.89220657  0.09531396  0.87051541
   0.59402355  0.44550590  0.61870864
   0.76288795  0.35519058  0.80516283
   0.64950987  0.67388285 -0.00466291
   0.90608888  0.57869999  0.38900237
   0.58931604  0.91803287  0.13837035
   0.82685320  0.84405643  0.26740727
   0.64216175  0.66031387  0.47025446
   0.89762028  0.61375249  0.87956650
   0.64088986  0.91666742  0.62795403
   0.85425030  0.85648565  0.75501350
   0.08380292  0.05640526  0.15225119
   0.36082629  0.19253801  0.27628136
   0.14517766  0.34249094  0.02891062
   0.35724593  0.44613903  0.34587930
   0.53384996  0.36365701  0.19700621
   0.29299169  0.38362241  0.16299869
   0.23926447  0.10475446  0.44572490
   0.00399961  0.19840219  0.38625620
   0.02571853  0.05450923  0.54966486
   0.47255825  0.26444556  0.77424919
   0.12659086  0.30568268  0.54283093
   0.37462359  0.48739533  0.86014414
   0.45247190  0.47221894  0.67223948
   0.22261485  0.37032945  0.72202432
   0.28228689  0.24276457 -0.10184613
   0.03170397  0.15740658  0.90676097
   0.10822561  0.58621268  0.08217051
   0.37077028  0.68508228  0.27173041
   0.09950264  0.84502974  0.03569507
   0.37883707  0.93738776  0.33799721
   0.42654017  0.89982925  0.14877771
   0.18333063  0.84187804  0.22549655
   0.32384107  0.67334376  0.45098733
   0.06509150  0.60244219  0.41079392
   0.19929679  0.56250152  0.58526888
   0.35867041  0.72764771  0.77657950
   0.09288463  0.79038219  0.52144863
   0.34231327  1.02812409  0.79345719
   0.48320288  0.93144537  0.64039809
   0.21650606  0.93951682  0.65244503
   0.30331852  0.69176955 -0.04071783
   0.05621812  0.64157737  0.90692121
   0.61125076  0.07477619  0.10767560
   0.84549316  0.18056211  0.23996619
   0.63781485  0.30290328  0.03459066
   0.87016734  0.42533322  0.37383072
   0.03893304  0.36965297  0.20227895
   0.78764121  0.41858539  0.16961659
   0.76075173  0.19723931  0.41920055
   0.51928343  0.12499969  0.41568920
   0.67718819  0.05533097  0.56145647
   0.83768871  0.21442108  0.78047056
   0.57785658  0.31426726  0.54874668
   0.88469697  0.44705565  0.85884236
   0.98729377  0.44528559  0.68013731
   0.71420638  0.40308906  0.69804413
   0.77350200  0.10626391  0.94596119
   0.50930259  0.09753924  0.92906507
   0.59752631  0.55365584  0.06290175
   0.87422243  0.69904527  0.30619048
   0.65828145  0.82452643  0.04217932
   0.85065877  0.96223747  0.34552913
   0.91843266  0.86631595  0.17560802
   0.66285994  0.85411135  0.23407813
   0.80216335  0.63588497  0.46973441
   0.56333149  0.57482660  0.38883837
   0.62182470  0.59091128  0.57548088
   0.83062673  0.70302607  0.79055100
   0.59570651  0.81625974  0.44472254
   0.92759235  0.93337084  0.84289700
   0.96499010  0.84302605  0.67085907
   0.71207991  0.94473171  0.73189497
   0.80889784  0.64815111  0.97217027
   0.55938787  0.66419044  0.90241101
   0.70767394  0.80480212  0.57949017
   0.50525114  0.85152276  0.42288706
   0.92465696  0.24099512  0.08358937
   0.95544033  0.36020921  0.37452216
   0.34550563  0.16876510  0.64187700
   0.31856941  0.81466322  0.73963332
   0.16009107  1.08985054  0.18814890
   0.22359038  1.08903456  0.01470392
   0.64704780  0.35236058  0.87105544
   0.90532694  0.39861587  0.65119862
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829426    0.245426   -0.009189
    -0.000000    9.923994   -0.018237
    -0.000000    0.000000   14.074230
   Si   O    H 
    32    64    10
Direct configuration=  1734
   0.16329381  0.20650347 -0.02996760
   0.36903300  0.09614210  0.37325655
   0.14182222  0.43193151  0.12519294
   0.38933858  0.35174481  0.25171464
   0.09680114  0.16836870  0.48274744
   0.40566326  0.15014689  0.84939563
   0.13554596  0.41734114  0.62803331
   0.37704442  0.39903368  0.76005586
   0.14521208  0.69331066 -0.00254358
   0.40594304  0.59613530  0.36486177
   0.07386319  0.89184589  0.14566737
   0.34439682  0.83965596  0.24381179
   0.16823702  0.65601665  0.49334393
   0.40232623  0.65031489  0.87154781
   0.07882104  0.90700495  0.60189763
   0.35387844  1.02529817  0.67361741
   0.63932628  0.14138273  1.00436658
   0.86185477  0.12776531  0.34482616
   0.63540546  0.41344730  0.12106016
   0.89892290  0.29538469  0.17187192
   0.63156273  0.18126860  0.48899403
   0.89216991  0.09547012  0.87010945
   0.59408465  0.44666624  0.61816082
   0.76269622  0.35500459  0.80539856
   0.65017648  0.67351087 -0.00511486
   0.90693696  0.57876039  0.38850194
   0.58968052  0.91677004  0.13790389
   0.82539464  0.84386220  0.26689890
   0.64374244  0.66010459  0.47083900
   0.89763800  0.61342650  0.87959597
   0.63865683  0.91661375  0.62680544
   0.85441424  0.85564497  0.75440566
   0.08535056  0.05755457  0.15261290
   0.36129348  0.19117231  0.27645899
   0.14506042  0.34286715  0.02905124
   0.35716836  0.44482508  0.34694093
   0.53343698  0.36346759  0.19613900
   0.29285381  0.38300831  0.16321344
   0.23823422  0.10588729  0.44497084
   0.00405661  0.19869091  0.38665680
   0.02703419  0.05539028  0.54833558
   0.47219212  0.26441108  0.77495025
   0.12670873  0.30604122  0.54242367
   0.37304291  0.48801304  0.86087998
   0.45213225  0.47213729  0.67184654
   0.22264982  0.37228080  0.72108851
   0.28072645  0.24323121 -0.10120186
   0.03112642  0.15796833  0.90750514
   0.10778960  0.58759570  0.08155872
   0.37180689  0.68205248  0.27242758
   0.09872105  0.84497952  0.03557043
   0.37765910  0.93732537  0.33844024
   0.42536862  0.90172068  0.14894134
   0.18406796  0.84179895  0.22530134
   0.32401818  0.67408467  0.44914272
   0.06641166  0.60392665  0.41186639
   0.19895001  0.56119210  0.58558644
   0.35858343  0.72750248  0.77560699
   0.09269970  0.79179897  0.52051676
   0.34248051  1.02897865  0.79217774
   0.48242076  0.92962142  0.63985615
   0.21643735  0.93750763  0.65370391
   0.30279973  0.69208707 -0.04068305
   0.05693011  0.64044509  0.90731078
   0.61213818  0.07415932  0.10755847
   0.84487347  0.18174276  0.24024077
   0.63945509  0.30319289  0.03394086
   0.86929969  0.42437698  0.37358920
   0.04116190  0.36985531  0.20101975
   0.78681548  0.41611403  0.16894760
   0.75920861  0.19803872  0.41915105
   0.51870472  0.12611528  0.41697915
   0.67670937  0.05368737  0.56154600
   0.83790522  0.21431527  0.78039187
   0.57817580  0.31368767  0.54962730
   0.88422028  0.44739660  0.85823955
   0.98718586  0.44491992  0.68099892
   0.71383566  0.40386904  0.69854170
   0.77427531  0.10620860  0.94597984
   0.50864992  0.09764168  0.92855506
   0.59803707  0.55572516  0.06350760
   0.87521164  0.70042249  0.30680787
   0.65811668  0.82577739  0.04176893
   0.84949565  0.96237058  0.34672184
   0.91974564  0.86603184  0.17480826
   0.66162917  0.85412068  0.23345569
   0.80154014  0.63445390  0.46973758
   0.56610654  0.57365371  0.38680769
   0.62038814  0.59172401  0.57447639
   0.83106071  0.70302009  0.79082495
   0.59646880  0.81685415  0.44503766
   0.92856007  0.93312467  0.84259368
   0.96582799  0.84233170  0.66994729
   0.71188002  0.94409167  0.73326371
   0.80993739  0.65048363  0.97368614
   0.56001357  0.66519939  0.90278885
   0.71176215  0.80286465  0.58070468
   0.50995779  0.85333926  0.42125581
   0.92922389  0.23930365  0.08209589
   0.94927926  0.36085247  0.37368061
   0.34176918  0.16316988  0.64409619
   0.32344521  0.80240182  0.74744448
   0.16282695  1.08573447  0.18991620
   0.23015592  1.09395097  0.01482038
   0.64048272  0.34738140  0.86813037
   0.90082537  0.40553289  0.65171728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831258    0.242607   -0.008705
    -0.000000    9.924036   -0.012644
    -0.000000    0.000000   14.073708
   Si   O    H 
    32    64    10
Direct configuration=  1735
   0.16173116  0.20597871 -0.02910913
   0.36872006  0.09560193  0.37443630
   0.14176258  0.43273809  0.12470470
   0.38834797  0.35123883  0.25252232
   0.09661126  0.16899650  0.48290963
   0.40677348  0.15065029  0.84880122
   0.13569865  0.41662261  0.62928680
   0.37600430  0.39834041  0.76004636
   0.14486063  0.69391705 -0.00472026
   0.40585420  0.59550817  0.36487221
   0.07338019  0.89235787  0.14563632
   0.34603372  0.84065814  0.24368959
   0.16737008  0.65593946  0.49303164
   0.40359312  0.64939507  0.87115110
   0.07941726  0.90717529  0.60177484
   0.35418122  1.02553134  0.67428384
   0.63763012  0.14229372  1.00452110
   0.86297838  0.12627401  0.34598887
   0.63540185  0.41344471  0.12087058
   0.89973717  0.29584842  0.17100845
   0.63199051  0.18164651  0.48793795
   0.89152856  0.09552721  0.86990762
   0.59426301  0.44757246  0.61774028
   0.76242936  0.35523126  0.80576901
   0.65186505  0.67346024 -0.00512909
   0.90726263  0.57911933  0.38835826
   0.59041893  0.91563355  0.13739477
   0.82289719  0.84385869  0.26625412
   0.64409835  0.65988065  0.47194960
   0.89729028  0.61346606  0.87938145
   0.63694228  0.91692613  0.62572124
   0.85466882  0.85525233  0.75410217
   0.08727730  0.05910020  0.15291601
   0.36204525  0.19032070  0.27642052
   0.14514721  0.34419189  0.02894909
   0.35624025  0.44333580  0.34720325
   0.53269510  0.36305759  0.19532085
   0.29133778  0.38202037  0.16388999
   0.23744920  0.10693995  0.44386025
   0.00456183  0.19869330  0.38709641
   0.02920127  0.05509376  0.54750645
   0.47096900  0.26453164  0.77527004
   0.12621582  0.30652167  0.54238714
   0.37200189  0.48938281  0.86141619
   0.45192313  0.47219666  0.67171213
   0.22300211  0.37457225  0.72066508
   0.28022064  0.24360505 -0.10080793
   0.03048145  0.15913996  0.90825817
   0.10776227  0.58871472  0.08163529
   0.37359151  0.67919474  0.27212819
   0.09825095  0.84454673  0.03521216
   0.37640751  0.93715712  0.33873618
   0.42402393  0.90271620  0.14971359
   0.18421148  0.84215556  0.22551221
   0.32424979  0.67514007  0.44761341
   0.06743380  0.60567719  0.41227704
   0.19867720  0.55904941  0.58618262
   0.35963145  0.72603389  0.77507232
   0.09267658  0.79427917  0.51984220
   0.34240713  1.02925532  0.79053529
   0.48159561  0.92797747  0.63889443
   0.21681072  0.93425098  0.65534723
   0.30185719  0.69306158 -0.04005005
   0.05735081  0.63976753  0.90796703
   0.61323315  0.07344377  0.10759266
   0.84408362  0.18265656  0.24053613
   0.64038523  0.30312831  0.03327997
   0.86913886  0.42385020  0.37302936
   0.04322699  0.36963135  0.20009876
   0.78572871  0.41470649  0.16804702
   0.75772745  0.19915532  0.41936358
   0.51702278  0.12736115  0.41868152
   0.67601887  0.05236611  0.56160931
   0.83841067  0.21283787  0.78034249
   0.57850894  0.31384843  0.55001877
   0.88383814  0.44764400  0.85768902
   0.98673143  0.44398262  0.68109021
   0.71468870  0.40475030  0.69897775
   0.77499462  0.10559447  0.94622470
   0.50913413  0.09765477  0.92782755
   0.59838258  0.55766956  0.06472891
   0.87594902  0.70108334  0.30682880
   0.65746355  0.82757415  0.04144507
   0.84925017  0.96231068  0.34858977
   0.92033061  0.86589228  0.17394788
   0.66045047  0.85446466  0.23321196
   0.80174875  0.63286974  0.46957854
   0.56876891  0.57341500  0.38537967
   0.61821405  0.59175346  0.57337274
   0.83084190  0.70277491  0.79113200
   0.59749881  0.81818957  0.44519342
   0.92884658  0.93350958  0.84234043
   0.96655635  0.84207117  0.66877475
   0.71194257  0.94372405  0.73445678
   0.81136982  0.65238831  0.97498153
   0.55929134  0.66582639  0.90307702
   0.71347498  0.79821203  0.58444200
   0.52036050  0.85643023  0.41974217
   0.92957787  0.23548227  0.07721085
   0.94348153  0.36173609  0.37237058
   0.34162445  0.16069320  0.64693042
   0.32203573  0.80154219  0.75169744
   0.16556008  1.08676986  0.19120651
   0.23498964  1.09593414  0.01641304
   0.63345472  0.34371934  0.86653116
   0.89785480  0.41461182  0.65353250
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832938    0.239729   -0.008539
    -0.000000    9.924292   -0.007224
    -0.000000    0.000000   14.073549
   Si   O    H 
    32    64    10
Direct configuration=  1736
   0.15989064  0.20475843 -0.02858744
   0.36897889  0.09442209  0.37514655
   0.14208571  0.43426553  0.12368371
   0.38736035  0.35004871  0.25302210
   0.09620278  0.16965028  0.48245657
   0.40741243  0.15199416  0.84869407
   0.13527231  0.41594675  0.63055725
   0.37526986  0.39723130  0.75997233
   0.14470097  0.69485261 -0.00666296
   0.40582957  0.59448750  0.36517548
   0.07300093  0.89293970  0.14593642
   0.34776950  0.84152752  0.24374278
   0.16683535  0.65570025  0.49308040
   0.40435609  0.64831520  0.87076394
   0.07967239  0.90719221  0.60110874
   0.35480373  1.02540017  0.67474030
   0.63596203  0.14331219  1.00426982
   0.86352608  0.12505430  0.34723376
   0.63542683  0.41341595  0.12016658
   0.90065319  0.29579358  0.17034396
   0.63212244  0.18114983  0.48731308
   0.89113131  0.09584385  0.86960283
   0.59437604  0.44717627  0.61766759
   0.76315362  0.35526316  0.80599828
   0.65352352  0.67382337 -0.00490344
   0.90779411  0.57931315  0.38797980
   0.59166983  0.91443265  0.13673599
   0.82038897  0.84321413  0.26587528
   0.64437175  0.66003501  0.47253187
   0.89696247  0.61306050  0.87968396
   0.63548041  0.91736715  0.62470872
   0.85512305  0.85485174  0.75421537
   0.08873687  0.06045424  0.15361418
   0.36321453  0.18985147  0.27668194
   0.14481340  0.34552484  0.02839000
   0.35549353  0.44216802  0.34794078
   0.53175317  0.36203962  0.19477578
   0.28905421  0.38209632  0.16548675
   0.23670633  0.10868873  0.44266757
   0.00450046  0.19878677  0.38738645
   0.03153760  0.05469378  0.54728958
   0.46977564  0.26469625  0.77527910
   0.12504309  0.30711501  0.54239666
   0.37144517  0.49033267  0.86139120
   0.45119711  0.47271476  0.67220769
   0.22286851  0.37653189  0.72067498
   0.28079774  0.24402380 -0.10081209
   0.02999423  0.15955951  0.90940468
   0.10840778  0.58970113  0.08178625
   0.37627206  0.67642481  0.27170240
   0.09714351  0.84319288  0.03464871
   0.37547893  0.93680541  0.33893653
   0.42326257  0.90407653  0.15044526
   0.18272608  0.84279826  0.22603656
   0.32349488  0.67579920  0.44676053
   0.06832647  0.60698553  0.41250990
   0.19860858  0.55759404  0.58668862
   0.36084464  0.72378472  0.77553330
   0.09299757  0.79653164  0.51921312
   0.34202617  1.02955256  0.78894930
   0.47984255  0.92682114  0.63814540
   0.21758502  0.93069430  0.65689392
   0.30109223  0.69405520 -0.03892012
   0.05687227  0.63851308  0.90801068
   0.61533551  0.07306964  0.10713525
   0.84367039  0.18326328  0.24114983
   0.64112133  0.30201167  0.03299536
   0.86793324  0.42310530  0.37195097
   0.04437722  0.36883565  0.19972564
   0.78411181  0.41337900  0.16687501
   0.75733412  0.20060000  0.41927713
   0.51432775  0.12830028  0.42084894
   0.67564968  0.05207456  0.56155879
   0.83924632  0.20996812  0.78047398
   0.57827339  0.31400088  0.55052041
   0.88358649  0.44834260  0.85746954
   0.98657543  0.44405708  0.68059478
   0.71559898  0.40573941  0.69854139
   0.77554819  0.10466810  0.94708345
   0.50974569  0.09782483  0.92747938
   0.59891495  0.55912780  0.06613755
   0.87618021  0.70148541  0.30703514
   0.65686089  0.82965948  0.04124480
   0.84894678  0.96202411  0.35022539
   0.92044757  0.86521346  0.17307447
   0.65973599  0.85483802  0.23228724
   0.80266574  0.63169379  0.46920267
   0.57142488  0.57255137  0.38412581
   0.61728320  0.59201428  0.57284645
   0.83005233  0.70150131  0.79182265
   0.59925581  0.81822593  0.44570214
   0.92934474  0.93428686  0.84228953
   0.96711513  0.84158968  0.66740778
   0.71285543  0.94253662  0.73506646
   0.81361674  0.65416426  0.97590272
   0.55793491  0.66542701  0.90338844
   0.71255702  0.79744583  0.58771123
   0.51834774  0.86669051  0.41322355
   0.92933734  0.23210585  0.07170150
   0.94198027  0.35698797  0.37269053
   0.33913527  0.16043092  0.64754247
   0.31341920  0.81860421  0.75019659
   0.16310365  1.08878323  0.18953070
   0.23769928  1.09626487  0.01887787
   0.63141933  0.34343680  0.86435135
   0.90154416  0.42068320  0.65611837
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834433    0.237397   -0.007977
    -0.000000    9.924010   -0.002548
    -0.000000    0.000000   14.072997
   Si   O    H 
    32    64    10
Direct configuration=  1737
   0.15873415  0.20367487 -0.02783576
   0.36907427  0.09328423  0.37566334
   0.14236253  0.43611456  0.12257924
   0.38709995  0.34910921  0.25291795
   0.09539663  0.16979546  0.48204040
   0.40719618  0.15335389  0.84857998
   0.13471217  0.41528846  0.63176920
   0.37446325  0.39725634  0.76006553
   0.14433480  0.69551189 -0.00818429
   0.40637748  0.59302249  0.36556640
   0.07323199  0.89393834  0.14584681
   0.34940180  0.84169759  0.24391915
   0.16743591  0.65555664  0.49317277
   0.40453725  0.64758882  0.87040371
   0.07934372  0.90733756  0.60012481
   0.35571976  1.02532136  0.67501425
   0.63372600  0.14402805  1.00434929
   0.86420372  0.12336920  0.34820811
   0.63595532  0.41326853  0.11920074
   0.90131045  0.29573412  0.16945590
   0.63193064  0.18102437  0.48707890
   0.89073011  0.09616272  0.86903179
   0.59536509  0.44615604  0.61805758
   0.76400356  0.35523578  0.80656411
   0.65487830  0.67386251 -0.00477570
   0.90823399  0.57945221  0.38751990
   0.59353250  0.91338373  0.13591744
   0.81803964  0.84292405  0.26544256
   0.64430870  0.66022064  0.47304805
   0.89691087  0.61228569  0.87986020
   0.63489893  0.91734836  0.62385364
   0.85511776  0.85438754  0.75422742
   0.08879589  0.06123883  0.15391059
   0.36393655  0.18984529  0.27698641
   0.14535400  0.34624683  0.02754175
   0.35512837  0.44013559  0.34812054
   0.53069196  0.36111069  0.19551859
   0.28726844  0.38228402  0.16728241
   0.23641942  0.11029846  0.44168494
   0.00397438  0.19904255  0.38806880
   0.03342243  0.05409576  0.54688051
   0.46923566  0.26380824  0.77570709
   0.12296974  0.30693159  0.54217594
   0.37101405  0.49119971  0.86178096
   0.45061820  0.47297593  0.67294267
   0.22325951  0.37794448  0.72101938
   0.28205052  0.24489032 -0.10144339
   0.02995934  0.16032068  0.91076262
   0.10872429  0.59042249  0.08185828
   0.37849833  0.67411930  0.27090675
   0.09720879  0.84231357  0.03453536
   0.37498090  0.93611484  0.33891397
   0.42348926  0.90505169  0.15083545
   0.18239274  0.84273391  0.22584498
   0.32284457  0.67588491  0.44634574
   0.06863538  0.60826615  0.41276396
   0.19946293  0.55588890  0.58701909
   0.36208162  0.72277185  0.77568935
   0.09335784  0.79893675  0.51836662
   0.34196996  1.03029201  0.78766903
   0.47725675  0.92596702  0.63740366
   0.21904557  0.92774528  0.65795390
   0.30048101  0.69476029 -0.03768894
   0.05595545  0.63785394  0.90684033
   0.61727980  0.07227154  0.10668187
   0.84308632  0.18349961  0.24192704
   0.64113141  0.30067736  0.03291297
   0.86643012  0.42269247  0.37136939
   0.04496970  0.36707554  0.19975970
   0.78220968  0.41224849  0.16615827
   0.75701797  0.20160689  0.41874778
   0.51092931  0.12930367  0.42298330
   0.67569353  0.05249515  0.56156078
   0.84001493  0.20663559  0.78091327
   0.57796963  0.31337141  0.55042096
   0.88253353  0.44950226  0.85709928
   0.98677745  0.44413837  0.67978842
   0.71587432  0.40685810  0.69730734
   0.77582525  0.10437541  0.94838467
   0.51079358  0.09756448  0.92793194
   0.59914078  0.55928199  0.06762372
   0.87656874  0.70123521  0.30750262
   0.65639434  0.83087597  0.04131779
   0.84926792  0.96166136  0.35097433
   0.91981165  0.86436603  0.17274828
   0.65838819  0.85505675  0.23086707
   0.80318611  0.63042496  0.46905261
   0.57430648  0.57183575  0.38322781
   0.61763419  0.59248732  0.57225230
   0.82953830  0.70037190  0.79289467
   0.60093134  0.81847148  0.44675350
   0.92969875  0.93583236  0.84243172
   0.96768786  0.84186401  0.66633047
   0.71372748  0.94049584  0.73529377
   0.81603564  0.65492350  0.97696458
   0.55705554  0.66538805  0.90354364
   0.71323552  0.79899721  0.59395142
   0.52330412  0.87649360  0.41050189
   0.92793301  0.23090107  0.06822792
   0.94462491  0.35106806  0.37359360
   0.33492102  0.16325351  0.64577578
   0.30876648  0.82134093  0.75381053
   0.16661783  1.09246340  0.19150481
   0.23889670  1.09721042  0.02257519
   0.63291543  0.34446858  0.86160729
   0.89801029  0.42563193  0.65668429
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835928    0.235000   -0.007483
    -0.000000    9.923681    0.002590
    -0.000000    0.000000   14.072562
   Si   O    H 
    32    64    10
Direct configuration=  1738
   0.15833143  0.20218419 -0.02678120
   0.36930541  0.09257067  0.37644568
   0.14318985  0.43789650  0.12168658
   0.38672543  0.34803706  0.25252658
   0.09531151  0.16995823  0.48194715
   0.40689991  0.15484067  0.84899364
   0.13393873  0.41475724  0.63268538
   0.37381368  0.39805025  0.76008678
   0.14388988  0.69599197 -0.00940306
   0.40702459  0.59178153  0.36616138
   0.07340441  0.89502252  0.14602195
   0.35144505  0.84200397  0.24427581
   0.16769267  0.65494217  0.49287667
   0.40451530  0.64726663  0.87023786
   0.07944841  0.90748189  0.59934208
   0.35556769  1.02498972  0.67496536
   0.63245055  0.14457446  1.00402629
   0.86472518  0.12243270  0.34900377
   0.63686756  0.41269371  0.11812717
   0.90200701  0.29517313  0.16821537
   0.63125533  0.18097184  0.48702034
   0.89115006  0.09640605  0.86885405
   0.59646281  0.44532553  0.61870486
   0.76470650  0.35469672  0.80661657
   0.65685090  0.67304756 -0.00430012
   0.90860985  0.57878778  0.38683212
   0.59520358  0.91209505  0.13491019
   0.81580159  0.84268896  0.26474252
   0.64428888  0.66048651  0.47332373
   0.89739266  0.61148556  0.87972232
   0.63512903  0.91746046  0.62305140
   0.85486387  0.85381475  0.75463405
   0.08974489  0.06111699  0.15399916
   0.36490034  0.18970339  0.27719542
   0.14515544  0.34678419  0.02661813
   0.35542336  0.43814933  0.34784936
   0.52976709  0.36070898  0.19668194
   0.28574460  0.38417643  0.16881443
   0.23668719  0.11211313  0.44092251
   0.00313149  0.19976410  0.38833624
   0.03486939  0.05276490  0.54719049
   0.46886764  0.26266772  0.77632404
   0.12158294  0.30672451  0.54198449
   0.37063776  0.49155619  0.86209065
   0.45002229  0.47350221  0.67368956
   0.22404185  0.37837723  0.72106082
   0.28379338  0.24484328 -0.10154021
   0.03009491  0.16007598  0.91247280
   0.10971175  0.59038323  0.08194408
   0.38092075  0.67309522  0.26985273
   0.09731767  0.84161275  0.03439258
   0.37427102  0.93515083  0.33861812
   0.42400277  0.90640078  0.15186665
   0.18208332  0.84210497  0.22547943
   0.32167656  0.67639685  0.44632127
   0.06916678  0.60959376  0.41239157
   0.19937591  0.55447479  0.58728740
   0.36265576  0.72270285  0.77506367
   0.09362505  0.80168328  0.51717023
   0.34283092  1.03060200  0.78713232
   0.47429705  0.92520116  0.63639030
   0.22024868  0.92570557  0.65884376
   0.30069835  0.69490312 -0.03675703
   0.05459155  0.63689871  0.90579574
   0.61987390  0.07206881  0.10642988
   0.84322564  0.18399464  0.24257487
   0.64162962  0.30056002  0.03253558
   0.86608119  0.42327811  0.37089777
   0.04445708  0.36566915  0.20000387
   0.78076885  0.41149282  0.16590562
   0.75773128  0.20167781  0.41894161
   0.50666254  0.12966153  0.42473136
   0.67533659  0.05255276  0.56147305
   0.84038033  0.20383104  0.78120770
   0.57790582  0.31320060  0.55002978
   0.88134588  0.45136969  0.85660072
   0.98664319  0.44522286  0.67881390
   0.71603020  0.40834587  0.69682907
   0.77600480  0.10389924  0.95005799
   0.51191890  0.09748783  0.92881697
   0.59967156  0.55808922  0.06929308
   0.87697708  0.70124224  0.30820185
   0.65550673  0.83120817  0.04157115
   0.85002049  0.96053480  0.35138910
   0.91950434  0.86266126  0.17241582
   0.65731327  0.85552623  0.22938283
   0.80441258  0.63000959  0.46877101
   0.57564013  0.57109139  0.38281072
   0.61826209  0.59306337  0.57179817
   0.82846904  0.69923572  0.79356375
   0.60200539  0.81892365  0.44764878
   0.93024024  0.93721217  0.84225129
   0.96651751  0.84254822  0.66547662
   0.71454228  0.93900008  0.73498801
   0.81770939  0.65578058  0.97753219
   0.55709230  0.66559326  0.90370755
   0.71553187  0.80044786  0.59941813
   0.53184506  0.87492946  0.41307057
   0.92334811  0.23481258  0.06864922
   0.94193050  0.34812044  0.37587043
   0.33422632  0.16613246  0.64322989
   0.30930366  0.80925986  0.76473899
   0.16716410  1.09554529  0.19379575
   0.23780126  1.09807568  0.02720767
   0.63932343  0.34219528  0.85881113
   0.89311212  0.42943722  0.65694737
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837458    0.232493   -0.007252
    -0.000000    9.923340    0.007920
    -0.000000    0.000000   14.072541
   Si   O    H 
    32    64    10
Direct configuration=  1739
   0.15799905  0.20162483 -0.02604408
   0.36950163  0.09160203  0.37695853
   0.14464613  0.43964575  0.12081956
   0.38672007  0.34707440  0.25259803
   0.09507606  0.17009051  0.48222011
   0.40665837  0.15639574  0.84945191
   0.13296051  0.41463390  0.63349635
   0.37319935  0.39939336  0.75994570
   0.14328584  0.69608518 -0.01024374
   0.40706831  0.59074325  0.36648888
   0.07329421  0.89640720  0.14578950
   0.35302546  0.84193076  0.24408919
   0.16818849  0.65488235  0.49300929
   0.40421032  0.64716171  0.87030951
   0.07998041  0.90825201  0.59870870
   0.35505505  1.02455835  0.67452334
   0.63158095  0.14481347  1.00396137
   0.86500031  0.12149132  0.34955449
   0.63745004  0.41215566  0.11682544
   0.90238804  0.29452207  0.16715546
   0.63059226  0.18058476  0.48778544
   0.89192448  0.09727120  0.86837417
   0.59700985  0.44507762  0.61890871
   0.76539256  0.35398466  0.80623468
   0.65900105  0.67267488 -0.00410042
   0.90926908  0.57871044  0.38658296
   0.59636144  0.91175773  0.13385656
   0.81420562  0.84243130  0.26428116
   0.64473716  0.66067335  0.47325483
   0.89829314  0.60998937  0.87966610
   0.63611130  0.91781642  0.62245875
   0.85449518  0.85344604  0.75552246
   0.09004556  0.06058923  0.15392330
   0.36574551  0.18904558  0.27779419
   0.14492253  0.34710789  0.02573889
   0.35685778  0.43621199  0.34760878
   0.52908790  0.36047693  0.19738179
   0.28497201  0.38685067  0.16926384
   0.23685039  0.11379720  0.43998277
   0.00137069  0.20017936  0.38815634
   0.03642044  0.05152721  0.54761093
   0.46884807  0.26172715  0.77746690
   0.11989148  0.30656359  0.54197665
   0.37080010  0.49167027  0.86201621
   0.44998471  0.47436226  0.67364797
   0.22523513  0.37763432  0.72137035
   0.28540010  0.24511639 -0.10161381
   0.02919913  0.15994611  0.91450394
   0.11021930  0.59050143  0.08221639
   0.38275127  0.67358427  0.26821254
   0.09662025  0.84187801  0.03444829
   0.37361402  0.93457371  0.33851626
   0.42502247  0.90832496  0.15260133
   0.18309758  0.84115188  0.22501131
   0.31972881  0.67692087  0.44645859
   0.06940025  0.60926307  0.41170755
   0.19904542  0.55333430  0.58739568
   0.36317969  0.72279173  0.77441098
   0.09451169  0.80410347  0.51598820
   0.34395392  1.03141310  0.78736505
   0.47199319  0.92433780  0.63527848
   0.22089769  0.92383014  0.65921886
   0.30090403  0.69540976 -0.03613350
   0.05197970  0.63626148  0.90487936
   0.62263008  0.07137043  0.10640373
   0.84274288  0.18387415  0.24335212
   0.64150636  0.30009341  0.03261058
   0.86664533  0.42435472  0.37068600
   0.04352768  0.36510406  0.20016077
   0.78013000  0.41060436  0.16584779
   0.75861565  0.20046465  0.41908668
   0.50341722  0.12989347  0.42678272
   0.67549127  0.05292635  0.56158720
   0.84025454  0.20120608  0.78226081
   0.57722130  0.31228666  0.54894740
   0.88081820  0.45297991  0.85593699
   0.98607781  0.44727275  0.67767670
   0.71655384  0.40973453  0.69676957
   0.77601520  0.10335650  0.95132341
   0.51311040  0.09720854  0.92979872
   0.60110072  0.55667361  0.07118442
   0.87754888  0.70056191  0.30828242
   0.65377501  0.83074424  0.04218981
   0.85144994  0.95898769  0.35231646
   0.91922769  0.86065158  0.17246215
   0.65679047  0.85555524  0.22884885
   0.80508270  0.62996549  0.46895877
   0.57670294  0.57067805  0.38299066
   0.61872025  0.59341285  0.57178419
   0.82774316  0.69781629  0.79419962
   0.60309908  0.81977342  0.44839932
   0.93078350  0.93866820  0.84213436
   0.96567631  0.84365894  0.66443817
   0.71557490  0.93768756  0.73443026
   0.81871051  0.65654171  0.97735080
   0.55792961  0.66630320  0.90387538
   0.72150084  0.79914155  0.60085562
   0.54309342  0.87102409  0.41708053
   0.91718746  0.23731524  0.07058581
   0.93835173  0.34954872  0.37747957
   0.33406675  0.16420643  0.63626117
   0.31556394  0.79393928  0.77599313
   0.16383221  1.09531290  0.19308337
   0.23665740  1.10262527  0.03164566
   0.64627735  0.34245887  0.85672638
   0.89019716  0.43385245  0.65726504
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839146    0.230015   -0.007369
    -0.000000    9.922623    0.013101
    -0.000000    0.000000   14.072720
   Si   O    H 
    32    64    10
Direct configuration=  1740
   0.15861014  0.20126480 -0.02532122
   0.36946104  0.09048379  0.37712061
   0.14612792  0.44067991  0.12014971
   0.38676519  0.34609711  0.25281864
   0.09508987  0.17010470  0.48269082
   0.40688756  0.15721355  0.85004832
   0.13220257  0.41428051  0.63388961
   0.37292180  0.40113257  0.76011698
   0.14321932  0.69639612 -0.01112997
   0.40760401  0.59010973  0.36674485
   0.07334528  0.89768076  0.14547353
   0.35381959  0.84176559  0.24431489
   0.16884864  0.65532877  0.49321536
   0.40327084  0.64684169  0.87066741
   0.08079131  0.90917960  0.59770762
   0.35445210  1.02358690  0.67427688
   0.63046744  0.14512956  1.00398251
   0.86473651  0.12042829  0.35014390
   0.63714217  0.41174239  0.11569161
   0.90272674  0.29347641  0.16619584
   0.63057897  0.17977923  0.48864610
   0.89222193  0.09841789  0.86800648
   0.59795851  0.44417234  0.61901323
   0.76648714  0.35312220  0.80591170
   0.66087478  0.67195429 -0.00362773
   0.90918009  0.57852285  0.38633901
   0.59661876  0.91204811  0.13267522
   0.81327403  0.84248895  0.26384816
   0.64511672  0.66091113  0.47264201
   0.89894881  0.60841283  0.87936004
   0.63712190  0.91836499  0.62198338
   0.85434634  0.85308487  0.75632002
   0.09070418  0.05970287  0.15389293
   0.36597491  0.18863622  0.27885241
   0.14383671  0.34792209  0.02485652
   0.35839610  0.43469950  0.34785063
   0.52882040  0.35932126  0.19799070
   0.28402010  0.38905108  0.16965420
   0.23667226  0.11511479  0.43912578
  -0.00034363  0.20065612  0.38767006
   0.03741168  0.05004531  0.54859152
   0.46853997  0.26071827  0.77830386
   0.11896072  0.30675874  0.54181081
   0.37111569  0.49107658  0.86160966
   0.45028768  0.47511262  0.67353476
   0.22659384  0.37578637  0.72149866
   0.28646954  0.24500249 -0.10176250
   0.02771228  0.16030062  0.91634598
   0.11124085  0.59019564  0.08279093
   0.38451827  0.67486960  0.26680736
   0.09602224  0.84272293  0.03417612
   0.37352554  0.93473189  0.33853602
   0.42594580  0.90963084  0.15312039
   0.18396534  0.83972965  0.22447271
   0.31885586  0.67672538  0.44654117
   0.06939519  0.60852887  0.41133964
   0.19845672  0.55265907  0.58740862
   0.36467652  0.72047329  0.77388192
   0.09611379  0.80519006  0.51461018
   0.34546550  1.03157687  0.78747037
   0.46996429  0.92371850  0.63429803
   0.22200678  0.92170392  0.65977982
   0.30175996  0.69611184 -0.03565149
   0.04879503  0.63544584  0.90480956
   0.62477349  0.07005761  0.10641662
   0.84280198  0.18342833  0.24452752
   0.64046834  0.29955287  0.03220135
   0.86808838  0.42546540  0.37013226
   0.04293367  0.36549070  0.20071665
   0.78052297  0.41138054  0.16615803
   0.75957761  0.19867732  0.41948206
   0.50086885  0.12973893  0.42867453
   0.67463214  0.05425788  0.56229084
   0.83936555  0.19842091  0.78407640
   0.57703568  0.31080122  0.54842711
   0.87962850  0.45390459  0.85496867
   0.98495646  0.44943984  0.67705685
   0.71746404  0.41091760  0.69647428
   0.77568680  0.10283415  0.95242869
   0.51411867  0.09724252  0.93044771
   0.60198533  0.55590526  0.07303510
   0.87733673  0.70008828  0.30792560
   0.65146650  0.83016872  0.04295300
   0.85245283  0.95753806  0.35286842
   0.91853822  0.85858375  0.17303678
   0.65728444  0.85599617  0.22863909
   0.80578864  0.63022632  0.46935468
   0.57833709  0.56974258  0.38356181
   0.61848009  0.59307846  0.57170245
   0.82816315  0.69660438  0.79475762
   0.60475609  0.81966211  0.44916010
   0.93184966  0.94023162  0.84191416
   0.96457152  0.84470906  0.66408106
   0.71589708  0.93672860  0.73349425
   0.82017472  0.65638218  0.97705389
   0.55906883  0.66644491  0.90392023
   0.72476974  0.79696850  0.60235191
   0.53867335  0.87554583  0.41520130
   0.91143308  0.24070881  0.07549172
   0.93310046  0.35540535  0.37734445
   0.33541096  0.15928152  0.62778831
   0.30547146  0.81156613  0.78552108
   0.15829546  1.09566300  0.18952033
   0.23406870  1.10708710  0.03536512
   0.64482461  0.34748242  0.85742029
   0.88920491  0.43689664  0.65577827
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840740    0.227402   -0.007601
    -0.000000    9.921504    0.018138
    -0.000000    0.000000   14.072886
   Si   O    H 
    32    64    10
Direct configuration=  1741
   0.15877662  0.20147981 -0.02499479
   0.36888023  0.08958615  0.37709380
   0.14745581  0.44100731  0.11986784
   0.38703547  0.34515858  0.25248012
   0.09531479  0.17133569  0.48289487
   0.40719831  0.15738944  0.85065111
   0.13101218  0.41459171  0.63393724
   0.37232460  0.40267482  0.76058500
   0.14253987  0.69708782 -0.01209203
   0.40816096  0.58949101  0.36658664
   0.07315218  0.89850360  0.14487264
   0.35401016  0.84202376  0.24404555
   0.17031605  0.65577787  0.49321723
   0.40213527  0.64676238  0.87135490
   0.08147993  0.91004213  0.59682364
   0.35384040  1.02271389  0.67462923
   0.62997622  0.14550569  1.00416745
   0.86498112  0.11986527  0.35085117
   0.63657469  0.41112896  0.11487374
   0.90251894  0.29317513  0.16563660
   0.63140559  0.17912569  0.48977580
   0.89241369  0.09932101  0.86763107
   0.59872301  0.44331493  0.61886352
   0.76857082  0.35203886  0.80585861
   0.66254121  0.67168794 -0.00286927
   0.90865633  0.57914181  0.38623026
   0.59604439  0.91224038  0.13166591
   0.81270413  0.84186667  0.26352655
   0.64558474  0.66064958  0.47195585
   0.89897863  0.60730856  0.87891871
   0.63766969  0.91883101  0.62165147
   0.85421885  0.85315462  0.75716281
   0.09094501  0.05819765  0.15342992
   0.36654023  0.18843731  0.28045065
   0.14255675  0.34899653  0.02391178
   0.36003085  0.43336236  0.34848170
   0.52919097  0.35810845  0.19821984
   0.28315016  0.39119328  0.16960650
   0.23708403  0.11637799  0.43841014
  -0.00247209  0.20054101  0.38755944
   0.03805080  0.04876290  0.54946099
   0.46890591  0.26050113  0.77936841
   0.11876105  0.30683516  0.54191751
   0.37083027  0.49055646  0.86087682
   0.45098479  0.47553721  0.67272828
   0.22732652  0.37384366  0.72173403
   0.28814862  0.24431011 -0.10180137
   0.02685968  0.16027964  0.91786956
   0.11252669  0.59009864  0.08302542
   0.38667292  0.67595574  0.26563117
   0.09565063  0.84361803  0.03375867
   0.37408061  0.93494587  0.33827010
   0.42661718  0.91069482  0.15333730
   0.18433168  0.83847273  0.22396140
   0.31766729  0.67634609  0.44647292
   0.06942237  0.60727081  0.41132677
   0.19811831  0.55294632  0.58772741
   0.36584631  0.72026053  0.77321211
   0.09659898  0.80508454  0.51312733
   0.34717276  1.03194574  0.78800703
   0.46862282  0.92277821  0.63322798
   0.22262361  0.91961350  0.65975243
   0.30207637  0.69657505 -0.03507505
   0.04622531  0.63519522  0.90448626
   0.62627061  0.06817851  0.10658318
   0.84276899  0.18277402  0.24558470
   0.63855597  0.29881238  0.03179780
   0.86877266  0.42717166  0.36957649
   0.04280816  0.36624020  0.20133858
   0.78068677  0.41138279  0.16639693
   0.75977664  0.19668831  0.42002744
   0.49898875  0.12888083  0.43018497
   0.67350745  0.05605634  0.56239680
   0.83783981  0.19572148  0.78590738
   0.57666631  0.31062925  0.54760089
   0.87884777  0.45361328  0.85386212
   0.98466952  0.45047811  0.67610567
   0.71842146  0.41146777  0.69651327
   0.77582176  0.10129733  0.95368145
   0.51437758  0.09686308  0.93049068
   0.60223979  0.55603587  0.07537644
   0.87635170  0.69947592  0.30754358
   0.64942807  0.82867713  0.04381009
   0.85363819  0.95730272  0.35302426
   0.91722890  0.85592534  0.17348522
   0.65881793  0.85675056  0.22850557
   0.80681377  0.63051179  0.46972728
   0.57925934  0.56917787  0.38441160
   0.61792104  0.59309915  0.57182476
   0.82875508  0.69583803  0.79470782
   0.60709174  0.81934436  0.45018764
   0.93217488  0.94178146  0.84208497
   0.96395691  0.84642455  0.66397755
   0.71589486  0.93592289  0.73239861
   0.82148871  0.65615416  0.97648205
   0.56005145  0.66734652  0.90379749
   0.72330329  0.79674989  0.60261471
   0.53291115  0.87768773  0.41708214
   0.90551715  0.23916200  0.07668494
   0.93621663  0.35360828  0.37941157
   0.33696376  0.15659314  0.61987033
   0.30269034  0.81975754  0.79147901
   0.16385069  1.09950241  0.19217707
   0.23386563  1.11108654  0.03793092
   0.64177406  0.35401940  0.86154180
   0.89254178  0.44052281  0.65477610
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842012    0.225672   -0.008021
    -0.000000    9.920463    0.023641
    -0.000000    0.000000   14.072764
   Si   O    H 
    32    64    10
Direct configuration=  1742
   0.15923233  0.20203327 -0.02441702
   0.36843541  0.08905443  0.37662105
   0.14806439  0.44102522  0.11948864
   0.38729156  0.34373386  0.25181282
   0.09526092  0.17224471  0.48291883
   0.40763590  0.15744047  0.85163102
   0.13011703  0.41507660  0.63355288
   0.37220548  0.40382457  0.76123627
   0.14214494  0.69814907 -0.01274138
   0.40925120  0.58857189  0.36667000
   0.07309805  0.89844930  0.14417903
   0.35390380  0.84164320  0.24380577
   0.17133807  0.65652693  0.49395088
   0.40110645  0.64675543  0.87248277
   0.08201290  0.91142365  0.59600291
   0.35346600  1.02203862  0.67460852
   0.62912224  0.14515575  1.00384836
   0.86449918  0.11948412  0.35154459
   0.63615782  0.41055284  0.11428121
   0.90233987  0.29343046  0.16505086
   0.63206855  0.17839504  0.49028621
   0.89250152  0.10033036  0.86777137
   0.59936054  0.44253025  0.61875856
   0.77046860  0.35062188  0.80567416
   0.66431009  0.67144738 -0.00215909
   0.90825080  0.57980237  0.38643974
   0.59550815  0.91220376  0.13058299
   0.81263485  0.84069054  0.26390297
   0.64605132  0.66052616  0.47102413
   0.89805343  0.60663094  0.87877691
   0.63818948  0.91977684  0.62123224
   0.85437494  0.85278130  0.75817524
   0.09059464  0.05706881  0.15311654
   0.36699062  0.18798679  0.28188429
   0.14189484  0.35049076  0.02341007
   0.36175425  0.43186444  0.34963147
   0.53048731  0.35732300  0.19858270
   0.28227662  0.39312170  0.16949726
   0.23769276  0.11774476  0.43778531
  -0.00346145  0.20050543  0.38790532
   0.03826268  0.04803848  0.55082542
   0.46930882  0.26058040  0.78002192
   0.11885238  0.30704902  0.54288159
   0.37118246  0.48870518  0.85961351
   0.45173640  0.47493015  0.67120715
   0.22759110  0.37230970  0.72228943
   0.29011028  0.24333041 -0.10187506
   0.02694493  0.15956812  0.91886703
   0.11385800  0.59033592  0.08295222
   0.38935001  0.67779928  0.26454569
   0.09440215  0.84398155  0.03376782
   0.37438652  0.93499893  0.33805057
   0.42762606  0.91146809  0.15380653
   0.18473299  0.83613573  0.22372624
   0.31680487  0.67596443  0.44583147
   0.07014319  0.60575903  0.41130462
   0.19786335  0.55321360  0.58802643
   0.36576035  0.72009507  0.77308527
   0.09761369  0.80430320  0.51141218
   0.34951359  1.03292393  0.78862728
   0.46801530  0.92151250  0.63208316
   0.22295306  0.91873423  0.65913266
   0.30287697  0.69650008 -0.03510436
   0.04471704  0.63442080  0.90467617
   0.62648447  0.06567412  0.10681233
   0.84370746  0.18236614  0.24626200
   0.63696661  0.29793833  0.03090522
   0.87008958  0.42867680  0.36914363
   0.04278696  0.36759688  0.20129507
   0.78156148  0.41124385  0.16686339
   0.75829818  0.19457625  0.42055153
   0.49812692  0.12783711  0.43204303
   0.67231431  0.05798913  0.56214817
   0.83597206  0.19385297  0.78712527
   0.57691155  0.31056816  0.54705191
   0.87779491  0.45241326  0.85306526
   0.98416105  0.45146513  0.67527747
   0.71938682  0.41112337  0.69685681
   0.77486603  0.10005580  0.95448591
   0.51467393  0.09652625  0.93013912
   0.60310177  0.55664199  0.07746320
   0.87496884  0.69949053  0.30719118
   0.64867912  0.82650482  0.04370310
   0.85482634  0.95708634  0.35319097
   0.91571353  0.85368625  0.17359825
   0.66010083  0.85771222  0.22908764
   0.80763329  0.63030863  0.47003340
   0.57976676  0.56846609  0.38540263
   0.61706333  0.59173839  0.57208620
   0.82944250  0.69583955  0.79393784
   0.60941387  0.82015875  0.45029137
   0.93206282  0.94248372  0.84220903
   0.96320657  0.84847906  0.66450291
   0.71508703  0.93579961  0.73099373
   0.82177069  0.65597241  0.97584720
   0.56100106  0.66736774  0.90354770
   0.71545156  0.79660531  0.60329558
   0.53207830  0.86931197  0.42323126
   0.89732822  0.23416751  0.07122003
   0.93687290  0.35395631  0.38307923
   0.33904143  0.14657395  0.61593441
   0.30678242  0.80937335  0.79392774
   0.16761676  1.10077352  0.19183423
   0.23382879  1.11224145  0.03931327
   0.64152711  0.36121094  0.86789756
   0.89174800  0.44300141  0.65197959
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843534    0.223496   -0.008450
    -0.000000    9.919230    0.029072
    -0.000000    0.000000   14.072665
   Si   O    H 
    32    64    10
Direct configuration=  1743
   0.15936215  0.20232195 -0.02381267
   0.36784086  0.08852995  0.37592282
   0.14811470  0.44087147  0.11910445
   0.38784180  0.34268058  0.25087261
   0.09503510  0.17275979  0.48284698
   0.40836631  0.15738397  0.85284982
   0.12921020  0.41554398  0.63324029
   0.37191989  0.40497308  0.76201922
   0.14193907  0.69866319 -0.01246096
   0.40985754  0.58754178  0.36656144
   0.07360754  0.89844502  0.14378927
   0.35388115  0.84122818  0.24336415
   0.17230823  0.65733018  0.49455871
   0.40059678  0.64709086  0.87358719
   0.08291813  0.91222550  0.59576779
   0.35312112  1.02151794  0.67454274
   0.62898406  0.14409984  1.00334880
   0.86324454  0.11888961  0.35250063
   0.63556821  0.40960654  0.11391998
   0.90207285  0.29334171  0.16455677
   0.63206640  0.17773626  0.49097576
   0.89239517  0.10135150  0.86815881
   0.59978477  0.44165671  0.61865288
   0.77208185  0.34913703  0.80511390
   0.66560353  0.67134121 -0.00096238
   0.90809754  0.58086724  0.38649124
   0.59464420  0.91234542  0.12929965
   0.81265326  0.83943782  0.26405106
   0.64598368  0.66063741  0.46982237
   0.89643747  0.60596185  0.87833856
   0.63853085  0.92079685  0.62051965
   0.85447971  0.85297954  0.75889934
   0.09011027  0.05640497  0.15300665
   0.36739478  0.18781414  0.28264772
   0.14159330  0.35237077  0.02302928
   0.36273861  0.43130187  0.35031911
   0.53208364  0.35595105  0.19886817
   0.28203232  0.39442793  0.16995609
   0.23765674  0.11928442  0.43713619
  -0.00364420  0.20062868  0.38818291
   0.03791770  0.04853996  0.55182073
   0.46974205  0.26069110  0.78089662
   0.11901160  0.30750057  0.54439723
   0.37178550  0.48725848  0.85821148
   0.45237531  0.47337594  0.66983469
   0.22777266  0.37119218  0.72339265
   0.29183902  0.24228586 -0.10155001
   0.02713366  0.15926048  0.91975820
   0.11545727  0.59015051  0.08341334
   0.39165373  0.67930266  0.26388183
   0.09395474  0.84493792  0.03370705
   0.37508169  0.93495724  0.33716723
   0.42867627  0.91203784  0.15389063
   0.18530914  0.83434712  0.22321526
   0.31685331  0.67524653  0.44501744
   0.07051109  0.60404808  0.41075283
   0.19759270  0.55400379  0.58818989
   0.36518078  0.72080686  0.77269692
   0.09884663  0.80345800  0.50970124
   0.35207382  1.03322869  0.78863782
   0.46772559  0.92017791  0.63145864
   0.22336791  0.91842669  0.65866821
   0.30435711  0.69687837 -0.03560668
   0.04387730  0.63264648  0.90526904
   0.62644440  0.06242607  0.10709017
   0.84478458  0.18196644  0.24679087
   0.63554371  0.29753219  0.03048630
   0.87100451  0.42902560  0.36887210
   0.04223127  0.36912206  0.20065873
   0.78225135  0.41148691  0.16668234
   0.75677631  0.19289398  0.42159123
   0.49851704  0.12738054  0.43436755
   0.67144815  0.05941700  0.56235343
   0.83366456  0.19254106  0.78838117
   0.57809056  0.31025642  0.54674336
   0.87676946  0.45133069  0.85246527
   0.98326160  0.45215794  0.67470948
   0.71943320  0.41092963  0.69710908
   0.77392415  0.09931491  0.95501574
   0.51496921  0.09640859  0.92974482
   0.60446096  0.55713011  0.07892622
   0.87364254  0.69904834  0.30727149
   0.64752126  0.82419741  0.04372782
   0.85504540  0.95591645  0.35354119
   0.91394648  0.85205610  0.17369618
   0.66163267  0.85897608  0.22997831
   0.80835227  0.63115596  0.47052095
   0.57901386  0.56811703  0.38646266
   0.61547789  0.59039409  0.57277626
   0.83042084  0.69617801  0.79335126
   0.61103614  0.82165610  0.45019346
   0.93138613  0.94331735  0.84219642
   0.96216493  0.85046784  0.66536457
   0.71451247  0.93655090  0.72939739
   0.82263413  0.65570138  0.97553600
   0.56185115  0.66713142  0.90353789
   0.70782525  0.79434982  0.60354484
   0.52874465  0.85939030  0.43003826
   0.89148722  0.22975086  0.06681263
   0.93365120  0.35519729  0.38474706
   0.34008279  0.13777885  0.61463575
   0.31918314  0.79248966  0.79237861
   0.16300286  1.09537578  0.18738371
   0.23483599  1.11051927  0.03948571
   0.64533892  0.36483920  0.87281628
   0.89167335  0.44676335  0.64882937
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844877    0.221112   -0.008935
    -0.000000    9.918385    0.034213
    -0.000000    0.000000   14.072218
   Si   O    H 
    32    64    10
Direct configuration=  1744
   0.15984887  0.20293968 -0.02348450
   0.36779391  0.08813222  0.37482765
   0.14812270  0.44036270  0.11843073
   0.38853901  0.34219023  0.25002165
   0.09448788  0.17324023  0.48292826
   0.40898341  0.15661105  0.85391946
   0.12860180  0.41645421  0.63290503
   0.37204147  0.40530554  0.76294905
   0.14228466  0.69888659 -0.01214024
   0.41049383  0.58656957  0.36638360
   0.07347372  0.89770725  0.14383607
   0.35420533  0.84061527  0.24299459
   0.17324430  0.65817540  0.49535193
   0.40033301  0.64688525  0.87500616
   0.08384381  0.91182527  0.59577488
   0.35230495  1.02062029  0.67484047
   0.62948369  0.14246892  1.00269000
   0.86196158  0.11848108  0.35348128
   0.63505374  0.40794539  0.11379345
   0.90126694  0.29293679  0.16414719
   0.63161993  0.17668568  0.49167458
   0.89219648  0.10231229  0.86913931
   0.60034598  0.44158344  0.61877952
   0.77322184  0.34798279  0.80454053
   0.66652812  0.67209693  0.00034097
   0.90775028  0.58257332  0.38642414
   0.59365670  0.91222263  0.12841086
   0.81358223  0.83767786  0.26408259
   0.64585288  0.66106475  0.46894895
   0.89537662  0.60485517  0.87764046
   0.63865233  0.92227146  0.62020639
   0.85487883  0.85416842  0.75936942
   0.08866894  0.05596703  0.15259430
   0.36728205  0.18746418  0.28353766
   0.14122905  0.35291964  0.02248176
   0.36308624  0.43041990  0.35070437
   0.53391359  0.35450937  0.19918717
   0.28197548  0.39576711  0.17033270
   0.23831210  0.12043056  0.43675045
  -0.00310810  0.20015789  0.38819715
   0.03732747  0.05056802  0.55243854
   0.46933185  0.26144174  0.78103941
   0.11894139  0.30780668  0.54547814
   0.37212942  0.48643535  0.85725550
   0.45360700  0.47191131  0.66912699
   0.22665687  0.37000336  0.72429939
   0.29295733  0.24062614 -0.10117363
   0.02731257  0.15926291  0.91987774
   0.11612397  0.58990392  0.08368518
   0.39386355  0.68027053  0.26338702
   0.09330082  0.84505926  0.03324137
   0.37594098  0.93482054  0.33715710
   0.42955064  0.91240163  0.15382451
   0.18635737  0.83228580  0.22247713
   0.31736594  0.67356372  0.44436108
   0.07021904  0.60166766  0.41021270
   0.19658239  0.55552763  0.58793400
   0.36629817  0.72103700  0.77183324
   0.10040567  0.80293146  0.50864751
   0.35358117  1.03330195  0.78849567
   0.46761699  0.91847869  0.63110524
   0.22353846  0.91807864  0.65772907
   0.30590358  0.69617357 -0.03591760
   0.04437372  0.63192379  0.90579231
   0.62667335  0.06005905  0.10675572
   0.84617571  0.18123386  0.24713782
   0.63386979  0.29785711  0.02969024
   0.87118664  0.42936334  0.36859184
   0.04094812  0.37034969  0.19976369
   0.78313789  0.41153516  0.16643467
   0.75535914  0.19091860  0.42277575
   0.49946433  0.12665332  0.43648857
   0.67124703  0.06134520  0.56345553
   0.83137797  0.19137371  0.78909385
   0.57937876  0.31003648  0.54655794
   0.87544056  0.45115717  0.85232998
   0.98238024  0.45197926  0.67487055
   0.71904645  0.41089316  0.69745973
   0.77366811  0.09877465  0.95580156
   0.51574931  0.09544482  0.92927352
   0.60650806  0.55768988  0.07993610
   0.87257189  0.69790156  0.30657510
   0.64662680  0.82205245  0.04342014
   0.85553042  0.95479389  0.35318271
   0.91198433  0.85121353  0.17395537
   0.66221231  0.85967778  0.23029954
   0.80993298  0.63245251  0.47123426
   0.57792259  0.56752440  0.38759547
   0.61422200  0.58982481  0.57319716
   0.83179297  0.69753056  0.79271774
   0.61308760  0.82307538  0.44989656
   0.93053013  0.94361308  0.84241492
   0.96097092  0.85333308  0.66613397
   0.71367658  0.93702786  0.72776132
   0.82346969  0.65404396  0.97520880
   0.56253194  0.66700461  0.90319487
   0.70159700  0.78655575  0.60197877
   0.51807373  0.85619660  0.43243799
   0.88615409  0.22479168  0.06544410
   0.92674374  0.35895867  0.38708705
   0.33949849  0.13403372  0.61301103
   0.31894374  0.80183252  0.79529735
   0.15869933  1.08936312  0.18294702
   0.23495187  1.10908209  0.03794458
   0.65458995  0.36487679  0.87562582
   0.89369539  0.44941198  0.64471362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845989    0.218757   -0.008896
    -0.000000    9.917546    0.039317
    -0.000000    0.000000   14.071732
   Si   O    H 
    32    64    10
Direct configuration=  1745
   0.15990706  0.20270564 -0.02369772
   0.36788809  0.08763864  0.37397663
   0.14817248  0.43951284  0.11781991
   0.38916299  0.34128058  0.24908169
   0.09455229  0.17359350  0.48337294
   0.40985295  0.15548316  0.85442005
   0.12838558  0.41803223  0.63255218
   0.37306922  0.40482990  0.76381960
   0.14316788  0.69949141 -0.01176104
   0.41139366  0.58618999  0.36621807
   0.07299538  0.89733001  0.14419614
   0.35420856  0.83944449  0.24332113
   0.17385590  0.65843451  0.49586883
   0.39972089  0.64704124  0.87662423
   0.08518456  0.91057358  0.59596127
   0.35137278  1.02034641  0.67514906
   0.62973541  0.14096163  1.00207872
   0.86092270  0.11862698  0.35423350
   0.63492718  0.40651883  0.11378490
   0.90050270  0.29275772  0.16376814
   0.63178209  0.17548019  0.49254971
   0.89235798  0.10229045  0.87027767
   0.59987918  0.44146241  0.61918239
   0.77435961  0.34749136  0.80401446
   0.66675405  0.67249638  0.00112854
   0.90762526  0.58449784  0.38650231
   0.59299294  0.91186879  0.12801540
   0.81464136  0.83600377  0.26410862
   0.64629616  0.66137534  0.46796163
   0.89436058  0.60467474  0.87698381
   0.63882008  0.92354240  0.62002239
   0.85550051  0.85511972  0.75979937
   0.08695155  0.05495224  0.15148190
   0.36748662  0.18719247  0.28397520
   0.14072574  0.35350787  0.02223135
   0.36375218  0.42935828  0.35098892
   0.53590983  0.35332184  0.19965614
   0.28208345  0.39727568  0.17145598
   0.23929994  0.12122510  0.43695206
  -0.00328243  0.19933132  0.38882928
   0.03654614  0.05294658  0.55260664
   0.46884920  0.26355194  0.78082355
   0.11974905  0.30837826  0.54656216
   0.37236498  0.48537598  0.85663978
   0.45417353  0.47131108  0.66943272
   0.22453168  0.36915785  0.72507247
   0.29270920  0.23955902 -0.10078645
   0.02842835  0.15831565  0.92000364
   0.11714305  0.59068220  0.08359243
   0.39631041  0.68103927  0.26295694
   0.09367178  0.84571036  0.03260392
   0.37686050  0.93499698  0.33729503
   0.43013653  0.91251507  0.15406351
   0.18734599  0.83048993  0.22143939
   0.31882922  0.67114483  0.44407109
   0.06990972  0.59849058  0.40947292
   0.19643543  0.55790288  0.58722936
   0.36693225  0.72073264  0.77124371
   0.10183872  0.80398753  0.50799144
   0.35505019  1.03336576  0.78830288
   0.46778278  0.91731843  0.63102025
   0.22258523  0.91778522  0.65692418
   0.30744573  0.69486741 -0.03619607
   0.04614690  0.63235789  0.90630084
   0.62683931  0.05877896  0.10583128
   0.84742900  0.18048913  0.24690534
   0.63191559  0.29767656  0.02891360
   0.87163761  0.43081602  0.36824381
   0.03946528  0.37204599  0.19830793
   0.78366939  0.41166953  0.16618247
   0.75328658  0.18957609  0.42440809
   0.49961914  0.12576528  0.43868523
   0.67135102  0.06304465  0.56453078
   0.82858118  0.19086865  0.78969444
   0.58137302  0.31025156  0.54633645
   0.87420142  0.45077307  0.85197027
   0.98204136  0.45208465  0.67482350
   0.71803495  0.41022150  0.69812768
   0.77453988  0.09850795  0.95616631
   0.51592969  0.09507732  0.92921434
   0.60878236  0.55929304  0.07977105
   0.87151319  0.69711310  0.30524566
   0.64634516  0.82045651  0.04366555
   0.85581186  0.95347740  0.35277684
   0.91062145  0.85004103  0.17326620
   0.66290913  0.86041019  0.23055400
   0.81179964  0.63436303  0.47212996
   0.57686265  0.56762275  0.38828009
   0.61337926  0.58951588  0.57330648
   0.83245059  0.69955551  0.79218904
   0.61443475  0.82463974  0.45012457
   0.92971821  0.94458077  0.84280849
   0.95975666  0.85545969  0.66662546
   0.71252254  0.93754895  0.72643804
   0.82408430  0.65247493  0.97512930
   0.56347031  0.66717879  0.90374387
   0.69759129  0.78255744  0.60092865
   0.51377713  0.84947649  0.43457912
   0.88554463  0.22238445  0.06543581
   0.93033285  0.35498123  0.39054649
   0.34042086  0.13625090  0.60936047
   0.31573269  0.80989623  0.79657216
   0.16904342  1.09428217  0.18791813
   0.23270940  1.10574791  0.03451818
   0.66923807  0.36615431  0.87372394
   0.89657634  0.45269606  0.64026232
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846922    0.216146   -0.009041
    -0.000000    9.916927    0.044519
    -0.000000    0.000000   14.070993
   Si   O    H 
    32    64    10
Direct configuration=  1746
   0.16043563  0.20313113 -0.02447376
   0.36829569  0.08783332  0.37342638
   0.14821169  0.43920766  0.11746062
   0.38964148  0.34099708  0.24834982
   0.09466195  0.17422328  0.48375497
   0.41041853  0.15456971  0.85466335
   0.12913757  0.41957525  0.63214103
   0.37424441  0.40378927  0.76438398
   0.14381750  0.69978348 -0.01088142
   0.41241692  0.58525389  0.36590897
   0.07183361  0.89603370  0.14480263
   0.35421881  0.83798964  0.24374950
   0.17398132  0.65832675  0.49590774
   0.39965442  0.64698609  0.87770512
   0.08689199  0.90911048  0.59608956
   0.35022998  1.02003869  0.67513808
   0.63040504  0.14012149  1.00161367
   0.85971931  0.11883532  0.35506342
   0.63457249  0.40558863  0.11365291
   0.89976180  0.29234581  0.16364443
   0.63123206  0.17469282  0.49300898
   0.89308675  0.10233854  0.87186257
   0.59886486  0.44125251  0.61994359
   0.77534105  0.34783772  0.80338292
   0.66666631  0.67261896  0.00149615
   0.90784806  0.58629995  0.38698896
   0.59254457  0.91131448  0.12814719
   0.81618886  0.83511600  0.26430153
   0.64703897  0.66133556  0.46692175
   0.89289653  0.60477503  0.87597883
   0.63873701  0.92541898  0.62024454
   0.85502370  0.85651180  0.76010852
   0.08607979  0.05535103  0.15147211
   0.36823430  0.18662763  0.28373737
   0.13992018  0.35389476  0.02171854
   0.36402440  0.42847123  0.35111203
   0.53753834  0.35310981  0.20006993
   0.28257911  0.39884165  0.17231128
   0.23919072  0.12209928  0.43766485
  -0.00285759  0.19824929  0.38990085
   0.03559229  0.05637579  0.55254668
   0.46893256  0.26570888  0.78030569
   0.12080344  0.30863746  0.54752733
   0.37220705  0.48482734  0.85658602
   0.45417542  0.46975359  0.66985672
   0.22303035  0.36736745  0.72570424
   0.29251491  0.23801931 -0.09995725
   0.02903225  0.15814891  0.92026412
   0.11844430  0.59080339  0.08303912
   0.39848275  0.68197715  0.26286876
   0.09460470  0.84567208  0.03188203
   0.37756748  0.93500352  0.33713617
   0.43080897  0.91252035  0.15467626
   0.18869662  0.82786613  0.22014139
   0.32046070  0.66860934  0.44307443
   0.06925470  0.59485254  0.40894744
   0.19559023  0.56068369  0.58649483
   0.36733636  0.72149095  0.77140982
   0.10260916  0.80575109  0.50742353
   0.35721260  1.03414555  0.78829321
   0.46838733  0.91654247  0.63082840
   0.22086937  0.91823962  0.65623592
   0.30859802  0.69368240 -0.03562775
   0.04882252  0.63337273  0.90666251
   0.62744600  0.05933074  0.10500794
   0.84899207  0.18005842  0.24595561
   0.62935789  0.29768773  0.02798464
   0.87168805  0.43179913  0.36824997
   0.03830352  0.37404685  0.19677890
   0.78377638  0.41128916  0.16545836
   0.75126631  0.18852851  0.42601928
   0.49956883  0.12444905  0.44107390
   0.67139045  0.06358488  0.56620501
   0.82668419  0.19150143  0.78921101
   0.58370298  0.31129877  0.54709471
   0.87441931  0.45177158  0.85156726
   0.98244924  0.45243639  0.67446120
   0.71719106  0.40926144  0.69923292
   0.77494414  0.09780863  0.95644110
   0.51660431  0.09463687  0.92869220
   0.61061417  0.56172883  0.07985045
   0.87108275  0.69576680  0.30407556
   0.64577486  0.81918594  0.04357139
   0.85627053  0.95193074  0.35147151
   0.91063505  0.84948297  0.17261184
   0.66258466  0.86120328  0.23038389
   0.81276505  0.63627349  0.47303703
   0.57562228  0.56795214  0.38936784
   0.61283106  0.58924270  0.57339621
   0.83264698  0.70140573  0.79132097
   0.61548877  0.82592994  0.45023733
   0.92874606  0.94535096  0.84274545
   0.95838977  0.85759018  0.66719351
   0.71095260  0.93818621  0.72551010
   0.82373888  0.65112304  0.97543928
   0.56455064  0.66641673  0.90510762
   0.69572949  0.78453968  0.60021787
   0.51827791  0.84152766  0.43629252
   0.89081530  0.22371367  0.07136616
   0.93349756  0.35249787  0.39646052
   0.34228476  0.13954256  0.60897656
   0.32045846  0.80759327  0.79036601
   0.17030730  1.09390218  0.18867844
   0.23203907  1.10490116  0.03291452
   0.67870181  0.36428696  0.87244356
   0.89943595  0.45790861  0.63606896
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847814    0.213641   -0.009503
    -0.000000    9.916252    0.049571
    -0.000000    0.000000   14.070093
   Si   O    H 
    32    64    10
Direct configuration=  1747
   0.16196083  0.20296378 -0.02512997
   0.36894900  0.08846224  0.37315351
   0.14789843  0.43889963  0.11746579
   0.38979082  0.34116556  0.24791462
   0.09489901  0.17450150  0.48414687
   0.41115601  0.15371626  0.85487435
   0.13018742  0.42073468  0.63167620
   0.37555646  0.40259358  0.76478033
   0.14433474  0.69958993 -0.01015459
   0.41307541  0.58435037  0.36565136
   0.07050702  0.89446554  0.14549318
   0.35436607  0.83641223  0.24466104
   0.17410891  0.65808526  0.49567937
   0.40033121  0.64659067  0.87834139
   0.08764856  0.90731120  0.59630577
   0.34911635  1.02002586  0.67491951
   0.63151148  0.13921104  1.00076350
   0.85922836  0.11969837  0.35527897
   0.63433942  0.40499717  0.11378831
   0.89910042  0.29240019  0.16328446
   0.63108460  0.17359040  0.49339036
   0.89342566  0.10176253  0.87342368
   0.59725502  0.44063905  0.62087194
   0.77566269  0.34881006  0.80279385
   0.66623819  0.67262447  0.00163525
   0.90773842  0.58799233  0.38722095
   0.59123319  0.91086311  0.12811348
   0.81790617  0.83465535  0.26428834
   0.64751727  0.66190318  0.46617625
   0.89164377  0.60443672  0.87527769
   0.63886578  0.92700218  0.62101118
   0.85442286  0.85724003  0.75980542
   0.08593692  0.05611225  0.15134614
   0.36940822  0.18580999  0.28361304
   0.13888931  0.35355276  0.02129957
   0.36403887  0.42814421  0.35099655
   0.53953623  0.35260919  0.20076283
   0.28411391  0.40078256  0.17326508
   0.23871356  0.12200840  0.43781403
  -0.00241393  0.19710268  0.39100353
   0.03537562  0.05875673  0.55236059
   0.46890944  0.26795266  0.77979997
   0.12216922  0.30903714  0.54837006
   0.37229795  0.48470912  0.85672116
   0.45375707  0.46837799  0.67078074
   0.22202018  0.36534719  0.72620662
   0.29121913  0.23788204 -0.09877248
   0.02881114  0.15811835  0.92030075
   0.11980863  0.59103533  0.08254430
   0.40073387  0.68250489  0.26286106
   0.09494780  0.84481950  0.03170428
   0.37839659  0.93482435  0.33703168
   0.43109492  0.91220477  0.15513568
   0.19050592  0.82538228  0.21935004
   0.32211595  0.66683257  0.44222325
   0.06896887  0.59183596  0.40866206
   0.19460210  0.56342798  0.58606499
   0.36737036  0.72224553  0.77212169
   0.10335016  0.80715224  0.50697974
   0.35863339  1.03486359  0.78804941
   0.47044151  0.91604345  0.63081020
   0.22008474  0.91871417  0.65565939
   0.30975848  0.69266506 -0.03525225
   0.05061921  0.63468758  0.90690560
   0.62808381  0.05908068  0.10464878
   0.85110162  0.18119358  0.24520099
   0.62707627  0.29637728  0.02707614
   0.87241018  0.43124785  0.36847944
   0.03788363  0.37596923  0.19491314
   0.78348171  0.41162906  0.16462771
   0.74992185  0.18756110  0.42793738
   0.49878279  0.12404305  0.44225562
   0.67136683  0.06350301  0.56801059
   0.82530478  0.19198409  0.78924425
   0.58561459  0.31365948  0.54770223
   0.87538320  0.45273042  0.85130623
   0.98237224  0.45268584  0.67396878
   0.71660759  0.40807599  0.70018343
   0.77567348  0.09758430  0.95693382
   0.51719728  0.09341754  0.92818522
   0.61227490  0.56433445  0.07967218
   0.87042549  0.69357132  0.30315495
   0.64551657  0.81823984  0.04325208
   0.85707144  0.95027000  0.34993382
   0.91141162  0.84969204  0.17218568
   0.66204079  0.86184531  0.22983593
   0.81288147  0.63732174  0.47422616
   0.57337463  0.56856949  0.38999292
   0.61184097  0.58823777  0.57302376
   0.83215769  0.70319806  0.79022372
   0.61632308  0.82700892  0.45051533
   0.92818961  0.94662754  0.84268109
   0.95742772  0.85971784  0.66742360
   0.71028010  0.93823018  0.72549358
   0.82313118  0.65000828  0.97660738
   0.56565221  0.66551657  0.90724291
   0.69518277  0.78748286  0.60202745
   0.52096413  0.83475701  0.43811490
   0.89916679  0.22317652  0.07576856
   0.92982285  0.35916277  0.39929474
   0.34581852  0.14320334  0.61194679
   0.32771066  0.80160564  0.78240902
   0.15704808  1.08809018  0.18586626
   0.23220939  1.10217307  0.03117299
   0.67929283  0.36275598  0.87430839
   0.90080244  0.46458540  0.63320349
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848518    0.210605   -0.010369
    -0.000000    9.915618    0.054292
    -0.000000    0.000000   14.069258
   Si   O    H 
    32    64    10
Direct configuration=  1748
   0.16388387  0.20270630 -0.02584672
   0.36899636  0.08900010  0.37293662
   0.14777379  0.43847625  0.11814093
   0.39003425  0.34101875  0.24808434
   0.09542970  0.17480951  0.48424363
   0.41227196  0.15256135  0.85483608
   0.13142477  0.42196215  0.63114504
   0.37679786  0.40129808  0.76498249
   0.14450334  0.69942993 -0.00972012
   0.41315338  0.58332228  0.36505625
   0.06886801  0.89294552  0.14604363
   0.35417074  0.83512998  0.24558592
   0.17383504  0.65810300  0.49493778
   0.40144358  0.64636040  0.87865092
   0.08799252  0.90557471  0.59634667
   0.34868420  1.02051229  0.67437213
   0.63255517  0.13849709  1.00008445
   0.85835946  0.12060871  0.35582824
   0.63444778  0.40450206  0.11386650
   0.89884824  0.29258426  0.16353444
   0.62996768  0.17285541  0.49436918
   0.89293795  0.10094722  0.87457277
   0.59587279  0.44124745  0.62174110
   0.77523357  0.34916947  0.80167677
   0.66603543  0.67253176  0.00216893
   0.90786409  0.58912519  0.38779153
   0.59013687  0.91039783  0.12827274
   0.81939720  0.83469472  0.26440362
   0.64754889  0.66219925  0.46566479
   0.89019399  0.60486711  0.87487917
   0.63935172  0.92798405  0.62220429
   0.85332144  0.85721687  0.75907615
   0.08530362  0.05726429  0.15073904
   0.37003660  0.18477524  0.28390100
   0.13782314  0.35353905  0.02077802
   0.36389505  0.42872195  0.35030056
   0.54076672  0.35110391  0.20172523
   0.28576336  0.40246214  0.17396051
   0.23790139  0.12202195  0.43820794
  -0.00143663  0.19567910  0.39175053
   0.03545487  0.06080965  0.55236397
   0.46908427  0.26931467  0.77944335
   0.12416845  0.30905006  0.54928056
   0.37220175  0.48485584  0.85786022
   0.45284887  0.46699819  0.67212775
   0.22172119  0.36392194  0.72634137
   0.28934250  0.23748554 -0.09788666
   0.02807373  0.15763592  0.92045909
   0.12140651  0.59150662  0.08167045
   0.40292159  0.68221929  0.26280041
   0.09550491  0.84427211  0.03125151
   0.37920687  0.93369990  0.33659405
   0.43159004  0.91210798  0.15522407
   0.19168880  0.82328502  0.21877634
   0.32453416  0.66487719  0.44155113
   0.06874042  0.58953929  0.40878937
   0.19268336  0.56577787  0.58567430
   0.36849494  0.72201188  0.77316186
   0.10442971  0.80878800  0.50652789
   0.36070902  1.03538604  0.78784967
   0.47203016  0.91615399  0.63078281
   0.21915305  0.91990737  0.65512870
   0.31085503  0.69235256 -0.03521749
   0.05226817  0.63600022  0.90717131
   0.62900569  0.05991529  0.10437026
   0.85331438  0.18188479  0.24439801
   0.62524754  0.29529569  0.02650348
   0.87342280  0.43092781  0.36891422
   0.03751837  0.37760015  0.19321010
   0.78316240  0.41103055  0.16390028
   0.74955648  0.18697597  0.42876266
   0.49709398  0.12305000  0.44379516
   0.67161711  0.06227549  0.56996876
   0.82531115  0.19314673  0.78954600
   0.58735038  0.31597814  0.54833051
   0.87632115  0.45283851  0.85114001
   0.98142442  0.45261911  0.67368123
   0.71653384  0.40676812  0.70088669
   0.77699297  0.09762496  0.95710491
   0.51809862  0.09184774  0.92758083
   0.61329999  0.56623084  0.07919561
   0.86960948  0.69095173  0.30228925
   0.64486096  0.81770763  0.04290054
   0.85795582  0.94878987  0.34913889
   0.91244270  0.84978523  0.17132038
   0.66036519  0.86255019  0.22986106
   0.81351370  0.63795584  0.47557615
   0.57153304  0.56881591  0.38997162
   0.61095818  0.58788643  0.57203041
   0.83170373  0.70490184  0.78943416
   0.61647844  0.82789092  0.45084549
   0.92759512  0.94819261  0.84238727
   0.95701146  0.86135210  0.66713809
   0.70959587  0.93788990  0.72543928
   0.82280131  0.64935424  0.97782301
   0.56571263  0.66381903  0.90922156
   0.69750242  0.79175913  0.60094180
   0.51923233  0.83390248  0.43896295
   0.91072108  0.22207798  0.07521432
   0.92296942  0.36978681  0.40072032
   0.34705618  0.14935006  0.61629997
   0.32328697  0.81597751  0.77540355
   0.15415124  1.08853062  0.18881784
   0.22851079  1.10092239  0.02890142
   0.67299466  0.36221865  0.87494866
   0.90405184  0.47221932  0.63056091
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.849271    0.207435   -0.010988
    -0.000000    9.914556    0.059306
    -0.000000    0.000000   14.068934
   Si   O    H 
    32    64    10
Direct configuration=  1749
   0.16581394  0.20290861 -0.02699045
   0.36930596  0.08914352  0.37329981
   0.14762899  0.43799673  0.11876692
   0.38975857  0.34093537  0.24857156
   0.09636827  0.17558687  0.48418471
   0.41379723  0.15239269  0.85445223
   0.13349059  0.42306567  0.63057401
   0.37766897  0.40015898  0.76484936
   0.14473193  0.69946770 -0.00911442
   0.41299010  0.58330462  0.36402499
   0.06802187  0.89134982  0.14625047
   0.35347303  0.83363986  0.24670958
   0.17364782  0.65822634  0.49390416
   0.40255585  0.64510838  0.87856234
   0.08721604  0.90418787  0.59652656
   0.34886510  1.02037085  0.67347502
   0.63364909  0.13797001  0.99991245
   0.85715901  0.12165039  0.35594804
   0.63429335  0.40423271  0.11407563
   0.89904718  0.29193096  0.16379908
   0.62870191  0.17280858  0.49550062
   0.89249708  0.09985172  0.87535941
   0.59478833  0.44250095  0.62268642
   0.77455284  0.34978099  0.80078758
   0.66623366  0.67226362  0.00244408
   0.90809581  0.59065807  0.38856216
   0.58843388  0.90960470  0.12872602
   0.82108321  0.83526690  0.26421988
   0.64815805  0.66224739  0.46554093
   0.88934470  0.60567644  0.87479955
   0.64000497  0.92831892  0.62325164
   0.85194652  0.85780011  0.75813004
   0.08480770  0.05883046  0.15069748
   0.37090929  0.18408281  0.28372695
   0.13645107  0.35310221  0.02012641
   0.36444234  0.42833477  0.34951040
   0.54248331  0.34971377  0.20241017
   0.28767297  0.40476875  0.17392193
   0.23707977  0.12168624  0.43834052
  -0.00116769  0.19451775  0.39273463
   0.03614979  0.06270517  0.55265341
   0.47059871  0.27023568  0.77953330
   0.12639475  0.30896653  0.55027322
   0.37254695  0.48564609  0.85852844
   0.45186472  0.46578757  0.67388523
   0.22161361  0.36236159  0.72648006
   0.28666483  0.23694215 -0.09714811
   0.02711038  0.15698557  0.92022543
   0.12217384  0.59212196  0.08096835
   0.40424197  0.68178247  0.26230081
   0.09579091  0.84418521  0.03147806
   0.38036479  0.93280608  0.33587446
   0.43232162  0.91091089  0.15538161
   0.19316691  0.82162458  0.21827990
   0.32624276  0.66289860  0.44104587
   0.06965181  0.58793143  0.40915674
   0.19109950  0.56736414  0.58524277
   0.36874130  0.72179194  0.77425571
   0.10463098  0.80943369  0.50571420
   0.36360249  1.03514697  0.78750574
   0.47343818  0.91674170  0.63111073
   0.21942469  0.92126283  0.65419673
   0.31180566  0.69235900 -0.03538094
   0.05375437  0.63750624  0.90704063
   0.62997338  0.06130258  0.10438345
   0.85462914  0.18267150  0.24405352
   0.62311011  0.29533879  0.02558623
   0.87379548  0.43032269  0.36948645
   0.03708213  0.37942160  0.19156584
   0.78262764  0.40945825  0.16351002
   0.74964726  0.18622340  0.42934661
   0.49485266  0.12263454  0.44474719
   0.67286661  0.06107920  0.57207012
   0.82541302  0.19503466  0.79002613
   0.58848562  0.31864554  0.54874272
   0.87735452  0.45319820  0.85201492
   0.98082509  0.45177361  0.67361654
   0.71631494  0.40485053  0.70148541
   0.77911200  0.09727599  0.95671493
   0.51880516  0.08999165  0.92702779
   0.61379945  0.56750510  0.07939719
   0.86859316  0.68894522  0.30101231
   0.64431857  0.81769423  0.04264729
   0.85836147  0.94804322  0.34871792
   0.91350436  0.85040888  0.17037929
   0.66006189  0.86401646  0.23007018
   0.81437197  0.63888439  0.47650450
   0.57026899  0.56978006  0.39056762
   0.61029975  0.58718453  0.57098122
   0.83144325  0.70605201  0.78934698
   0.61656489  0.82836482  0.45069018
   0.92747040  0.94955044  0.84233605
   0.95717058  0.86281571  0.66720977
   0.70958094  0.93728516  0.72604345
   0.82355555  0.64903316  0.97890746
   0.56557493  0.66161605  0.91088851
   0.70132894  0.79816906  0.59963334
   0.51500199  0.83690472  0.43893077
   0.92071429  0.21898048  0.07332437
   0.93122561  0.36903650  0.41160122
   0.34780062  0.15115449  0.62244016
   0.32435019  0.82039709  0.76991392
   0.15927769  1.09540433  0.19466422
   0.22762281  1.09755474  0.02947065
   0.66449423  0.35879077  0.87585251
   0.90715482  0.47611923  0.63229741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.849737    0.203907   -0.011747
    -0.000000    9.913572    0.064565
    -0.000000    0.000000   14.068539
   Si   O    H 
    32    64    10
Direct configuration=  1750
   0.16771738  0.20403945 -0.02809221
   0.36963249  0.08858770  0.37413043
   0.14770725  0.43759097  0.11904411
   0.38981905  0.34126843  0.24876382
   0.09699931  0.17598944  0.48419336
   0.41485469  0.15245109  0.85425955
   0.13589732  0.42390892  0.63019839
   0.37783282  0.39910676  0.76483779
   0.14563664  0.69977977 -0.00851583
   0.41257555  0.58327871  0.36249613
   0.06740722  0.89004230  0.14630247
   0.35256471  0.83270489  0.24799051
   0.17397344  0.65815724  0.49259441
   0.40377514  0.64389759  0.87839346
   0.08593660  0.90331852  0.59653487
   0.34943337  1.02039052  0.67248712
   0.63437194  0.13742165  0.99991483
   0.85624929  0.12226543  0.35583947
   0.63364602  0.40420146  0.11449007
   0.89935206  0.29126542  0.16358040
   0.62753279  0.17245785  0.49700039
   0.89166384  0.09945740  0.87606712
   0.59375836  0.44325675  0.62376077
   0.77340803  0.35020190  0.80029395
   0.66626063  0.67208197  0.00254933
   0.90878624  0.59161432  0.38925923
   0.58680284  0.90896397  0.12902633
   0.82299705  0.83640559  0.26403307
   0.64894633  0.66197117  0.46562715
   0.88878029  0.60666730  0.87495981
   0.64007356  0.92763855  0.62377713
   0.85071871  0.85817719  0.75739239
   0.08450021  0.06090347  0.15047899
   0.37088155  0.18362155  0.28300269
   0.13520797  0.35347040  0.02021288
   0.36515452  0.42824406  0.34837673
   0.54464089  0.34783927  0.20312308
   0.28958454  0.40699259  0.17326846
   0.23614942  0.12128488  0.43875342
  -0.00160233  0.19303950  0.39350124
   0.03784200  0.06355912  0.55336884
   0.47249987  0.26997298  0.77970383
   0.12800214  0.30903187  0.55097323
   0.37320364  0.48739418  0.85932874
   0.45131632  0.46534146  0.67607766
   0.22206466  0.36157796  0.72621957
   0.28453624  0.23670324 -0.09674651
   0.02634610  0.15615203  0.91954727
   0.12326762  0.59214926  0.08073480
   0.40563754  0.68132555  0.26177241
   0.09598268  0.84461103  0.03192324
   0.38043767  0.93127360  0.33560879
   0.43245223  0.91012722  0.15608168
   0.19462327  0.82045729  0.21772177
   0.32781674  0.66127873  0.44069202
   0.07139274  0.58705504  0.40895292
   0.18959443  0.56896812  0.58549785
   0.36873958  0.72144940  0.77518609
   0.10557108  0.80940114  0.50526011
   0.36588387  1.03523088  0.78689144
   0.47408854  0.91721141  0.63088761
   0.22086683  0.92233277  0.65375241
   0.31216350  0.69314563 -0.03544504
   0.05399431  0.63846318  0.90678145
   0.63097706  0.06254490  0.10401476
   0.85527425  0.18237613  0.24419171
   0.62041918  0.29626911  0.02448945
   0.87465440  0.43078832  0.37046707
   0.03643628  0.38068221  0.18950689
   0.78146069  0.40778909  0.16300827
   0.75050822  0.18504599  0.42970612
   0.49210548  0.12207916  0.44564619
   0.67466206  0.06104317  0.57391245
   0.82547096  0.19676033  0.79043720
   0.58958021  0.32102488  0.54882305
   0.87807300  0.45365686  0.85282061
   0.98068807  0.45088807  0.67428288
   0.71617328  0.40337795  0.70214294
   0.78118984  0.09725190  0.95648796
   0.51940145  0.08867062  0.92644114
   0.61342320  0.56762879  0.07926180
   0.86809847  0.68666018  0.29957067
   0.64382780  0.81866474  0.04297040
   0.85982834  0.94849307  0.34818748
   0.91526809  0.85054486  0.16911471
   0.66059439  0.86459776  0.22982552
   0.81556760  0.64000546  0.47725347
   0.56901266  0.57025410  0.39191517
   0.60854785  0.58702253  0.56976487
   0.83136410  0.70661544  0.78970719
   0.61547959  0.82787082  0.45028292
   0.92823454  0.95166075  0.84205628
   0.95764375  0.86333983  0.66662927
   0.71030223  0.93631481  0.72727330
   0.82402738  0.64937122  0.97835000
   0.56533306  0.65900538  0.91218549
   0.70576947  0.80069209  0.59756007
   0.52010896  0.84070716  0.44003342
   0.92751280  0.21198832  0.07315166
   0.93599470  0.37464026  0.41913076
   0.35028488  0.15114391  0.62973846
   0.33160105  0.80952726  0.76565690
   0.15816385  1.09783381  0.19609693
   0.22591588  1.09365006  0.02995750
   0.65871893  0.35473740  0.87413068
   0.90478242  0.47808535  0.63154499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850502    0.200743   -0.012249
    -0.000000    9.912667    0.069796
    -0.000000    0.000000   14.068096
   Si   O    H 
    32    64    10
Direct configuration=  1751
   0.16841555  0.20490455 -0.02870350
   0.36975168  0.08774806  0.37499202
   0.14763882  0.43784045  0.11949115
   0.38984619  0.34134931  0.24874888
   0.09793227  0.17648085  0.48429352
   0.41536497  0.15273343  0.85396666
   0.13833946  0.42503420  0.63012285
   0.37699675  0.39761904  0.76446894
   0.14660727  0.69989622 -0.00782083
   0.41213868  0.58332060  0.36061603
   0.06779656  0.88888034  0.14649785
   0.35125891  0.83204462  0.24897268
   0.17448428  0.65803240  0.49155768
   0.40542037  0.64279163  0.87826571
   0.08395107  0.90276720  0.59636441
   0.35038237  1.02030080  0.67199499
   0.63566938  0.13654383  1.00000056
   0.85531127  0.12308035  0.35558967
   0.63287744  0.40425884  0.11477634
   0.89977685  0.29066185  0.16332220
   0.62581939  0.17230526  0.49836510
   0.89041207  0.09916951  0.87660294
   0.59295822  0.44377432  0.62475224
   0.77191181  0.35065875  0.79972457
   0.66578949  0.67169479  0.00289640
   0.90928250  0.59303399  0.38957095
   0.58537274  0.90842378  0.12950827
   0.82450493  0.83728403  0.26372339
   0.64952939  0.66187429  0.46624722
   0.88808558  0.60765066  0.87522427
   0.64035327  0.92650621  0.62440069
   0.84997912  0.85904347  0.75653570
   0.08484282  0.06310254  0.15028501
   0.37039193  0.18280020  0.28168365
   0.13476570  0.35262975  0.02070867
   0.36587534  0.42717770  0.34686175
   0.54569177  0.34644946  0.20417079
   0.29142867  0.41008385  0.17203618
   0.23623405  0.12066162  0.43960288
  -0.00225733  0.19101155  0.39413553
   0.03865691  0.06336386  0.55463153
   0.47414978  0.26928461  0.77983017
   0.12976935  0.31005534  0.55124458
   0.37385496  0.48923558  0.85986552
   0.45107323  0.46583836  0.67896030
   0.22223013  0.36151286  0.72536332
   0.28340433  0.23613856 -0.09672988
   0.02586907  0.15571816  0.91855815
   0.12392950  0.59185840  0.07986872
   0.40675440  0.68057508  0.26137937
   0.09695144  0.84528154  0.03264015
   0.38021602  0.93021530  0.33528330
   0.43144949  0.90971699  0.15680502
   0.19536734  0.81953074  0.21709553
   0.32834376  0.66102215  0.44058351
   0.07293820  0.58605076  0.40852168
   0.18832879  0.57005057  0.58583252
   0.36973139  0.72061108  0.77629754
   0.10679839  0.80843125  0.50449109
   0.36794217  1.03507042  0.78662643
   0.47419970  0.91688846  0.63054015
   0.22171997  0.92379032  0.65329767
   0.31069962  0.69402203 -0.03531907
   0.05407056  0.63936020  0.90591527
   0.63198666  0.06442581  0.10325221
   0.85483444  0.18233714  0.24386985
   0.61801487  0.29785996  0.02340917
   0.87571486  0.43203869  0.37225268
   0.03581261  0.38080712  0.18772015
   0.78091198  0.40627875  0.16297410
   0.75041191  0.18346519  0.42940371
   0.48947782  0.12153794  0.44662293
   0.67683806  0.06179019  0.57523994
   0.82550953  0.19747043  0.79107341
   0.59124072  0.32324645  0.54858338
   0.87853479  0.45354445  0.85325494
   0.98063227  0.44966833  0.67562650
   0.71516295  0.40175280  0.70235250
   0.78295776  0.09717008  0.95620782
   0.52025046  0.08742692  0.92620974
   0.61302828  0.56740819  0.07928457
   0.86776659  0.68502000  0.29846209
   0.64335256  0.81896320  0.04359955
   0.86113005  0.94903576  0.34742568
   0.91729476  0.85104016  0.16854492
   0.66110907  0.86471569  0.22948871
   0.81672699  0.64079863  0.47722421
   0.56872914  0.57076561  0.39311103
   0.60716833  0.58766580  0.56807483
   0.83106588  0.70714660  0.79039659
   0.61488067  0.82619282  0.45046508
   0.92911294  0.95247705  0.84111487
   0.95882342  0.86366307  0.66573924
   0.71047461  0.93534723  0.72790235
   0.82443985  0.64951800  0.97750316
   0.56432973  0.65687238  0.91386444
   0.70862486  0.80130007  0.59380648
   0.52323983  0.84820822  0.44101838
   0.92935849  0.20742041  0.07463506
   0.93254657  0.38544540  0.41954138
   0.34995225  0.15371515  0.63766014
   0.33757165  0.80585841  0.76161740
   0.14891129  1.09656836  0.19416260
   0.22280188  1.09060297  0.02893977
   0.65949919  0.34912859  0.87114056
   0.90506172  0.47966012  0.63262640
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851019    0.197675   -0.012828
    -0.000000    9.911135    0.075194
    -0.000000    0.000000   14.067269
   Si   O    H 
    32    64    10
Direct configuration=  1752
   0.16849538  0.20551342 -0.02932168
   0.36997492  0.08684827  0.37564947
   0.14779011  0.43864761  0.11963299
   0.39020000  0.34230977  0.24862232
   0.09880244  0.17728038  0.48417081
   0.41547890  0.15353756  0.85345279
   0.14081726  0.42610383  0.63020851
   0.37596274  0.39646305  0.76427197
   0.14785347  0.69928787 -0.00714883
   0.41160271  0.58371941  0.35831893
   0.06873612  0.88809404  0.14677436
   0.34943578  0.83177888  0.24967533
   0.17483191  0.65870686  0.49025804
   0.40794094  0.64186118  0.87808325
   0.08130754  0.90246525  0.59637419
   0.35188871  1.02000080  0.67199737
   0.63662006  0.13622209  1.00053119
   0.85475955  0.12362991  0.35503711
   0.63226704  0.40453565  0.11481878
   0.90011431  0.29010775  0.16307638
   0.62483034  0.17281482  0.49984689
   0.88957539  0.09897618  0.87667101
   0.59243293  0.44325023  0.62563945
   0.76991489  0.35128917  0.79973908
   0.66530191  0.67176454  0.00298893
   0.90980457  0.59405749  0.39007977
   0.58421881  0.90801015  0.13010142
   0.82543798  0.83817331  0.26297205
   0.65011268  0.66181840  0.46673669
   0.88789658  0.60886939  0.87544147
   0.64049112  0.92458297  0.62522230
   0.84982063  0.86087078  0.75571058
   0.08483395  0.06441216  0.15015959
   0.37009192  0.18174845  0.28015811
   0.13486175  0.35077586  0.02179555
   0.36608576  0.42645535  0.34571025
   0.54576789  0.34481163  0.20512254
   0.29287380  0.41290901  0.17077304
   0.23680430  0.11977371  0.44009567
  -0.00326434  0.18909090  0.39487829
   0.03964850  0.06287302  0.55536627
   0.47608710  0.26803531  0.78047379
   0.13149242  0.31024214  0.55114582
   0.37457175  0.48998704  0.86103438
   0.45120230  0.46681896  0.68131082
   0.22204106  0.36166827  0.72439351
   0.28318338  0.23657913 -0.09720232
   0.02533005  0.15636077  0.91793267
   0.12464785  0.59118087  0.07920197
   0.40701384  0.67915050  0.26117482
   0.09769598  0.84571561  0.03415242
   0.38043747  0.92862647  0.33564950
   0.42988689  0.90892313  0.15756207
   0.19445746  0.81925165  0.21638365
   0.32699772  0.66117175  0.44070628
   0.07480817  0.58492068  0.40878580
   0.18730290  0.57036146  0.58628015
   0.37040406  0.71954308  0.77715613
   0.10713014  0.80716593  0.50385609
   0.36967926  1.03520479  0.78663971
   0.47426864  0.91722865  0.63069904
   0.22258666  0.92586006  0.65339378
   0.30912642  0.69472769 -0.03523570
   0.05434120  0.64058082  0.90451602
   0.63284635  0.06580447  0.10324375
   0.85368365  0.18308423  0.24374731
   0.61579605  0.29878693  0.02189096
   0.87584767  0.43341220  0.37418626
   0.03493272  0.38083880  0.18642423
   0.78020066  0.40499341  0.16275121
   0.75042239  0.18187878  0.42893140
   0.48782694  0.12098442  0.44792899
   0.67819579  0.06310237  0.57674786
   0.82578924  0.19789122  0.79145145
   0.59289225  0.32435236  0.54781109
   0.87882260  0.45314599  0.85352176
   0.98144956  0.44856785  0.67665266
   0.71330259  0.40033761  0.70280613
   0.78370216  0.09778418  0.95609362
   0.52081523  0.08645325  0.92639619
   0.61329954  0.56559979  0.07936921
   0.86824709  0.68355251  0.29743829
   0.64212259  0.81848148  0.04411385
   0.86266187  0.94831749  0.34698118
   0.91869879  0.85155950  0.16810147
   0.66210468  0.86473536  0.22902128
   0.81760898  0.64142799  0.47769562
   0.56927134  0.57104710  0.39384578
   0.60575523  0.58830315  0.56647624
   0.83130328  0.70796556  0.79084700
   0.61466351  0.82419881  0.45050304
   0.93043032  0.95236799  0.83988900
   0.95929002  0.86383427  0.66502850
   0.71128003  0.93516225  0.72856484
   0.82451018  0.64964681  0.97710658
   0.56299922  0.65445145  0.91484357
   0.71040396  0.79784836  0.59194807
   0.51665956  0.85764267  0.43806884
   0.92968465  0.20687001  0.07775334
   0.93162604  0.39100291  0.41903040
   0.34850431  0.15834532  0.64405903
   0.33510778  0.81264573  0.75768876
   0.14486786  1.09563204  0.19443745
   0.21905007  1.08943071  0.02874381
   0.65937438  0.34314373  0.86690660
   0.90648978  0.48106173  0.63793032
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851353    0.195335   -0.013541
    -0.000000    9.908784    0.080330
    -0.000000    0.000000   14.066518
   Si   O    H 
    32    64    10
Direct configuration=  1753
   0.16777580  0.20592186 -0.02966240
   0.36990454  0.08587637  0.37621104
   0.14872990  0.43905548  0.11951703
   0.39064131  0.34308617  0.24829723
   0.09986584  0.17789230  0.48424622
   0.41559156  0.15578731  0.85312910
   0.14295589  0.42742432  0.63044071
   0.37409406  0.39524805  0.76435394
   0.14940973  0.69847670 -0.00619910
   0.41129729  0.58399314  0.35641271
   0.07063486  0.88737908  0.14718500
   0.34794632  0.83137671  0.25011521
   0.17583724  0.65883624  0.48848538
   0.40987392  0.64099777  0.87778367
   0.07911795  0.90306766  0.59623976
   0.35328062  1.01924947  0.67151408
   0.63791992  0.13599881  1.00118866
   0.85455267  0.12348316  0.35421018
   0.63169735  0.40458087  0.11465662
   0.90076471  0.28968756  0.16319763
   0.62323018  0.17376978  0.50136761
   0.88946251  0.09905529  0.87620349
   0.59158454  0.44283083  0.62640088
   0.76817459  0.35171134  0.79986535
   0.66444948  0.67136683  0.00272952
   0.91020413  0.59481370  0.39010182
   0.58385206  0.90783537  0.13114528
   0.82592973  0.83907501  0.26252278
   0.65104830  0.66154042  0.46771811
   0.88796294  0.60979787  0.87578524
   0.64078206  0.92223755  0.62596824
   0.85029395  0.86303576  0.75456323
   0.08387369  0.06452914  0.14974676
   0.36941665  0.18088739  0.27823428
   0.13485345  0.34957076  0.02333413
   0.36707364  0.42706430  0.34525324
   0.54577338  0.34310950  0.20566286
   0.29469990  0.41561402  0.16965757
   0.23786079  0.11875745  0.44019158
  -0.00538163  0.18833385  0.39616687
   0.04107617  0.06182926  0.55696732
   0.47797088  0.26630996  0.78146538
   0.13263166  0.31111205  0.55108339
   0.37546028  0.48938665  0.86135598
   0.45148470  0.46792450  0.68362933
   0.22205727  0.36161096  0.72364744
   0.28406555  0.23707925 -0.09793509
   0.02542924  0.15757270  0.91693683
   0.12601963  0.59042622  0.07762163
   0.40813946  0.67758488  0.26097549
   0.09790504  0.84658744  0.03602374
   0.38096504  0.92721278  0.33671301
   0.42759987  0.90831652  0.15884779
   0.19347607  0.82033178  0.21595663
   0.32579102  0.66173083  0.44175224
   0.07663085  0.58382197  0.40917853
   0.18597013  0.57016602  0.58685930
   0.37026228  0.71891456  0.77800477
   0.10781976  0.80573709  0.50324809
   0.37144427  1.03583029  0.78619470
   0.47563406  0.91734740  0.63085141
   0.22332630  0.92753620  0.65346634
   0.30739843  0.69559673 -0.03525124
   0.05436798  0.64103897  0.90338085
   0.63313935  0.06670680  0.10322463
   0.85211699  0.18269542  0.24418890
   0.61288407  0.29974311  0.02076202
   0.87496057  0.43479353  0.37565515
   0.03357823  0.38049901  0.18562600
   0.77899782  0.40429349  0.16266874
   0.75047224  0.18071287  0.42868200
   0.48687795  0.12027180  0.44920507
   0.67968853  0.06463093  0.57813532
   0.82617198  0.19899892  0.79150958
   0.59406678  0.32502709  0.54643179
   0.87935486  0.45170611  0.85359372
   0.98272250  0.44723293  0.67720188
   0.71152491  0.39879786  0.70254704
   0.78277099  0.09949761  0.95625463
   0.52096062  0.08519841  0.92673355
   0.61361244  0.56307303  0.07972826
   0.86865562  0.68303790  0.29709454
   0.64154365  0.81814808  0.04541969
   0.86311288  0.94810629  0.34678775
   0.91994933  0.85234163  0.16754205
   0.66340001  0.86418264  0.22879021
   0.81761633  0.64202719  0.47746361
   0.56966992  0.57147762  0.39371967
   0.60537176  0.58887760  0.56562866
   0.83176909  0.70922743  0.79168090
   0.61373928  0.82237338  0.45008318
   0.93067386  0.95079774  0.83856107
   0.95962247  0.86254943  0.66497494
   0.71255649  0.93491479  0.72975093
   0.82448221  0.64907365  0.97711070
   0.56186396  0.65268155  0.91570065
   0.71434852  0.80361141  0.59220766
   0.52077098  0.86411460  0.43559928
   0.92940844  0.20969467  0.08032078
   0.93421393  0.38695378  0.42208504
   0.34357681  0.16666379  0.64929915
   0.33601979  0.80796130  0.75882953
   0.14843572  1.09701291  0.19968002
   0.21388918  1.08622328  0.02988229
   0.65794210  0.33940283  0.86320051
   0.90604887  0.48285917  0.64227682
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851949    0.192970   -0.013884
    -0.000000    9.906119    0.085603
    -0.000000    0.000000   14.066411
   Si   O    H 
    32    64    10
Direct configuration=  1754
   0.16684971  0.20640736 -0.03005787
   0.36978114  0.08528397  0.37666076
   0.14964689  0.43976571  0.11930589
   0.39149219  0.34359441  0.24794462
   0.10098995  0.17813195  0.48418345
   0.41565100  0.15791242  0.85303555
   0.14430124  0.42839282  0.63028660
   0.37180403  0.39393848  0.76440633
   0.15022309  0.69752778 -0.00564374
   0.41203751  0.58443152  0.35480222
   0.07291682  0.88750142  0.14768256
   0.34635221  0.83113490  0.25056962
   0.17659281  0.65843010  0.48675196
   0.41102656  0.64092881  0.87731712
   0.07706883  0.90368595  0.59611086
   0.35438244  1.01915268  0.67146215
   0.63889559  0.13561317  1.00155559
   0.85518950  0.12339527  0.35323254
   0.63165104  0.40496960  0.11477869
   0.90101993  0.28954939  0.16326382
   0.62123733  0.17468931  0.50248672
   0.88958936  0.09901984  0.87555253
   0.59087996  0.44259635  0.62664892
   0.76685812  0.35230896  0.80018522
   0.66400614  0.67075739  0.00231736
   0.91071125  0.59517368  0.39012648
   0.58338326  0.90796604  0.13238630
   0.82670107  0.83980457  0.26229026
   0.65219878  0.66091103  0.46841019
   0.88846115  0.61074726  0.87638821
   0.64077904  0.92077866  0.62677453
   0.85161605  0.86497250  0.75355112
   0.08352148  0.06417911  0.14931009
   0.36882695  0.18007158  0.27644033
   0.13391403  0.34849208  0.02481457
   0.36784080  0.42788375  0.34500968
   0.54623150  0.34180430  0.20576007
   0.29618150  0.41831245  0.16897643
   0.23791830  0.11717998  0.44067970
  -0.00631808  0.18802616  0.39742625
   0.04226353  0.06091018  0.55815360
   0.47910495  0.26394987  0.78266373
   0.13388484  0.31089978  0.55043696
   0.37696378  0.48817910  0.86115364
   0.45203200  0.46917271  0.68462751
   0.22289779  0.36233172  0.72314714
   0.28566360  0.23766560 -0.09915966
   0.02633088  0.15875681  0.91553348
   0.12796134  0.58967847  0.07587365
   0.40859728  0.67595521  0.26085369
   0.09851010  0.84745058  0.03721864
   0.38062541  0.92640167  0.33810924
   0.42472272  0.90678444  0.16006731
   0.19228532  0.82155051  0.21532785
   0.32494200  0.66197879  0.44264215
   0.07764265  0.58289947  0.40955903
   0.18489104  0.56950740  0.58755548
   0.37045125  0.71754293  0.77869885
   0.10840753  0.80462039  0.50283941
   0.37327919  1.03673818  0.78573414
   0.47637699  0.91750887  0.63134483
   0.22382715  0.92903849  0.65330175
   0.30594206  0.69615879 -0.03548907
   0.05507193  0.64172042  0.90200574
   0.63272344  0.06623906  0.10360284
   0.85005160  0.18213300  0.24453534
   0.61021901  0.30036036  0.02005181
   0.87465398  0.43616547  0.37665273
   0.03199708  0.38086172  0.18541220
   0.77833817  0.40388864  0.16243277
   0.75034504  0.18096708  0.42844980
   0.48673982  0.12006317  0.45047953
   0.68060074  0.06720672  0.57929749
   0.82689138  0.20017446  0.79141221
   0.59503895  0.32550465  0.54459939
   0.87882765  0.45012783  0.85312069
   0.98358794  0.44583535  0.67801389
   0.70931518  0.39741741  0.70193193
   0.78152273  0.10163870  0.95749360
   0.52051336  0.08376746  0.92709492
   0.61306031  0.56122968  0.08050766
   0.86967362  0.68222328  0.29655462
   0.64067441  0.81837078  0.04643872
   0.86298381  0.94867689  0.34655477
   0.92107317  0.85260439  0.16683366
   0.66440500  0.86353886  0.22893733
   0.81694961  0.64263543  0.47736260
   0.56991407  0.57273344  0.39394605
   0.60519472  0.58892509  0.56540271
   0.83223148  0.70915024  0.79247402
   0.61205079  0.82084907  0.44963535
   0.93137551  0.94881193  0.83674037
   0.95978708  0.86204897  0.66460235
   0.71373006  0.93566536  0.73123953
   0.82428896  0.64922578  0.97726831
   0.56124893  0.65069746  0.91659356
   0.72220891  0.81199512  0.59132907
   0.52926436  0.86468148  0.43506366
   0.92800631  0.21121746  0.08203513
   0.93394125  0.38368651  0.42385115
   0.33859992  0.17277821  0.64982365
   0.33519774  0.80282963  0.76036831
   0.14792620  1.09503900  0.19925160
   0.21154267  1.08359333  0.03043680
   0.65709811  0.33676463  0.86082923
   0.90473509  0.48405912  0.64434583
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852588    0.190449   -0.014185
    -0.000000    9.903318    0.091282
    -0.000000    0.000000   14.066231
   Si   O    H 
    32    64    10
Direct configuration=  1755
   0.16546149  0.20682650 -0.02992651
   0.36971176  0.08424376  0.37674376
   0.15082900  0.44053971  0.11867776
   0.39265716  0.34345304  0.24763247
   0.10196743  0.17802108  0.48395326
   0.41558864  0.15984731  0.85337468
   0.14527907  0.42846588  0.63029708
   0.36996791  0.39309283  0.76427416
   0.15067496  0.69664081 -0.00561941
   0.41305047  0.58410757  0.35363275
   0.07557209  0.88765523  0.14795558
   0.34496766  0.83056584  0.25071404
   0.17682844  0.65807868  0.48543810
   0.41154256  0.64076586  0.87693304
   0.07517416  0.90497839  0.59610018
   0.35494559  1.01938863  0.67166295
   0.63892076  0.13541096  1.00176960
   0.85638152  0.12271783  0.35238425
   0.63143422  0.40584367  0.11485235
   0.90098777  0.28978447  0.16324690
   0.61917697  0.17533195  0.50338971
   0.88976526  0.09867812  0.87480375
   0.59051548  0.44278522  0.62677506
   0.76590316  0.35262257  0.80072485
   0.66366903  0.67007656  0.00216335
   0.91064207  0.59455649  0.38982003
   0.58328338  0.90894539  0.13405786
   0.82770213  0.84098522  0.26212631
   0.65299919  0.66051228  0.46925102
   0.88925681  0.61185455  0.87686707
   0.64095852  0.91938068  0.62735453
   0.85338047  0.86708209  0.75257963
   0.08344106  0.06380045  0.14900983
   0.36835723  0.17872108  0.27485001
   0.13379043  0.34668782  0.02597413
   0.36859683  0.42852034  0.34529043
   0.54596033  0.34111942  0.20561361
   0.29720148  0.42132378  0.16845401
   0.23883185  0.11584536  0.44117563
  -0.00689766  0.18851184  0.39917373
   0.04307722  0.05897974  0.55954956
   0.48033274  0.26149961  0.78377922
   0.13565825  0.31100266  0.54954362
   0.37859053  0.48621372  0.86120254
   0.45210157  0.47066034  0.68506940
   0.22404412  0.36380555  0.72281249
   0.28740325  0.23750301 -0.10066420
   0.02840657  0.15994454  0.91461727
   0.12941918  0.58937972  0.07407650
   0.40883413  0.67464640  0.26110786
   0.09966353  0.84791536  0.03832533
   0.37995064  0.92582957  0.33963325
   0.42197264  0.90545237  0.16096426
   0.19100725  0.82380459  0.21476007
   0.32528564  0.66239844  0.44385949
   0.07843672  0.58177839  0.41017402
   0.18446954  0.56955635  0.58824350
   0.37085005  0.71630585  0.77926057
   0.10829613  0.80417694  0.50291549
   0.37453037  1.03690114  0.78528868
   0.47719916  0.91789833  0.63199131
   0.22476625  0.93032507  0.65336458
   0.30499030  0.69695971 -0.03644311
   0.05559446  0.64278373  0.90083089
   0.63219610  0.06584907  0.10428467
   0.84796444  0.18209684  0.24483503
   0.60747321  0.30113422  0.01954208
   0.87515019  0.43813310  0.37802402
   0.03121178  0.38152951  0.18484137
   0.77819912  0.40275216  0.16141798
   0.74960730  0.18155792  0.42788822
   0.48681234  0.12040348  0.45180783
   0.68240306  0.06949442  0.58046045
   0.82798666  0.20051053  0.79133240
   0.59623421  0.32636887  0.54323113
   0.87872989  0.44872136  0.85290776
   0.98443544  0.44477465  0.67892297
   0.70693666  0.39612816  0.70108270
   0.78048911  0.10386541  0.95794544
   0.52084058  0.08246346  0.92745557
   0.61297602  0.55957467  0.08176462
   0.87065538  0.68300408  0.29599565
   0.64002425  0.81849183  0.04758353
   0.86228935  0.94915621  0.34694051
   0.92265359  0.85248664  0.16637282
   0.66563117  0.86316914  0.22932643
   0.81610162  0.64489333  0.47771678
   0.56937975  0.57300591  0.39436781
   0.60538300  0.58941081  0.56547776
   0.83281560  0.70901359  0.79278675
   0.61154482  0.81893796  0.44874188
   0.93204934  0.94730366  0.83503818
   0.95900759  0.86124027  0.66362781
   0.71339162  0.93675513  0.73221623
   0.82394971  0.64973516  0.97751316
   0.56053642  0.64868574  0.91702897
   0.73030933  0.81804464  0.58900773
   0.52871005  0.86608892  0.42963427
   0.92290770  0.21257403  0.08141494
   0.92966562  0.38027803  0.42226964
   0.33439070  0.17182992  0.64882108
   0.33124047  0.80444946  0.76256961
   0.14327219  1.09296604  0.19813836
   0.21134073  1.08436784  0.03097813
   0.65434862  0.33399665  0.86142569
   0.90352775  0.48100046  0.64438770
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852930    0.188236   -0.014260
    -0.000000    9.900016    0.096945
    -0.000000    0.000000   14.066617
   Si   O    H 
    32    64    10
Direct configuration=  1756
   0.16396762  0.20640435 -0.02949838
   0.36999760  0.08278876  0.37716115
   0.15176270  0.44103363  0.11808066
   0.39337058  0.34333793  0.24696854
   0.10311671  0.17803598  0.48365208
   0.41520333  0.16097001  0.85395781
   0.14585823  0.42834953  0.63079733
   0.36847670  0.39226578  0.76401474
   0.15121865  0.69598629 -0.00565800
   0.41407387  0.58385649  0.35283461
   0.07789282  0.88798165  0.14823992
   0.34352933  0.83015472  0.25044265
   0.17693902  0.65694281  0.48444860
   0.41132059  0.64096284  0.87706046
   0.07418311  0.90630380  0.59592614
   0.35570097  1.01965286  0.67163926
   0.63896479  0.13530846  1.00217148
   0.85709996  0.12215458  0.35146025
   0.63164809  0.40595483  0.11488331
   0.90082257  0.29035980  0.16379027
   0.61795950  0.17600509  0.50423279
   0.89025108  0.09847249  0.87388982
   0.58965570  0.44336909  0.62627323
   0.76613311  0.35277881  0.80148194
   0.66281657  0.66937216  0.00210558
   0.91069222  0.59396098  0.38953485
   0.58342807  0.91073741  0.13552252
   0.82904168  0.84158256  0.26217489
   0.65349372  0.66064096  0.47000337
   0.89053630  0.61289546  0.87761711
   0.64098393  0.91869291  0.62766007
   0.85554087  0.86855776  0.75153941
   0.08327691  0.06293810  0.14849304
   0.36773463  0.17806494  0.27369008
   0.13380981  0.34489934  0.02761417
   0.36936336  0.42885255  0.34581820
   0.54526595  0.34106334  0.20550980
   0.29835346  0.42405925  0.16818830
   0.23991407  0.11450358  0.44117971
  -0.00764395  0.18839287  0.40080167
   0.04302787  0.05811688  0.56075299
   0.48108721  0.25987784  0.78424679
   0.13706260  0.31088498  0.54845613
   0.37893317  0.48471408  0.86074922
   0.45290256  0.47249284  0.68492073
   0.22451856  0.36468562  0.72248734
   0.28901164  0.23751399 -0.10158836
   0.03023088  0.16102320  0.91381573
   0.13056895  0.58864939  0.07323343
   0.40890614  0.67300326  0.26049323
   0.10048383  0.84796378  0.03870525
   0.37941102  0.92535617  0.34134367
   0.41969555  0.90397379  0.16156536
   0.18990581  0.82602198  0.21491545
   0.32507069  0.66248260  0.44466085
   0.07894163  0.58117827  0.41107098
   0.18428829  0.56976334  0.58878563
   0.37166740  0.71471301  0.77931519
   0.10766242  0.80406881  0.50314561
   0.37557182  1.03691535  0.78512291
   0.47709309  0.91801667  0.63281820
   0.22531811  0.93084349  0.65269174
   0.30462540  0.69772873 -0.03794824
   0.05590896  0.64432529  0.89949109
   0.63151340  0.06514796  0.10481801
   0.84688841  0.18197045  0.24442943
   0.60494850  0.30204191  0.01901988
   0.87597308  0.44031050  0.37877745
   0.03076582  0.38216474  0.18428895
   0.77877545  0.40170508  0.15965943
   0.74844685  0.18209503  0.42676770
   0.48717475  0.12037351  0.45257050
   0.68336309  0.07073101  0.58169166
   0.82878712  0.20080156  0.79142358
   0.59852523  0.32685436  0.54155234
   0.87856387  0.44803207  0.85284278
   0.98524948  0.44368931  0.67929817
   0.70533434  0.39452598  0.69968446
   0.77942776  0.10529208  0.95833035
   0.52112239  0.08192127  0.92733396
   0.61324973  0.55733501  0.08338642
   0.87123379  0.68421812  0.29584816
   0.63933493  0.81813393  0.04812596
   0.86129143  0.94983985  0.34675528
   0.92357673  0.85207667  0.16610404
   0.66721985  0.86283254  0.22976963
   0.81607399  0.64714256  0.47806482
   0.56863437  0.57394560  0.39389640
   0.60479132  0.58955406  0.56618293
   0.83332727  0.70867389  0.79227168
   0.61095016  0.81658390  0.44759535
   0.93255757  0.94582066  0.83358935
   0.95813065  0.86088500  0.66244880
   0.71253556  0.93752182  0.73347034
   0.82318649  0.64962317  0.97790137
   0.56049155  0.64654334  0.91730765
   0.73609331  0.82465415  0.58882745
   0.52565736  0.86612331  0.42580845
   0.91736551  0.21093192  0.08019920
   0.92194380  0.37907436  0.41705159
   0.33018345  0.16419144  0.64605495
   0.32613824  0.80219294  0.76336154
   0.14107116  1.09273546  0.19920215
   0.21187219  1.08875899  0.03183103
   0.64806710  0.33075775  0.86400540
   0.90703162  0.47389010  0.64472359
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853163    0.185726   -0.014469
    -0.000000    9.896662    0.101924
    -0.000000    0.000000   14.067208
   Si   O    H 
    32    64    10
Direct configuration=  1757
   0.16216350  0.20612937 -0.02907123
   0.37067702  0.08208823  0.37771865
   0.15279877  0.44083829  0.11670442
   0.39426257  0.34312346  0.24631920
   0.10400851  0.17765594  0.48378209
   0.41485416  0.16122283  0.85442576
   0.14628302  0.42831621  0.63162955
   0.36828817  0.39132968  0.76411117
   0.15165480  0.69557213 -0.00595597
   0.41548813  0.58358364  0.35238301
   0.07957985  0.88952453  0.14847776
   0.34205215  0.82935161  0.25056599
   0.17716346  0.65569286  0.48361944
   0.41085271  0.64144848  0.87706209
   0.07438503  0.90733027  0.59562006
   0.35647108  1.02028212  0.67159273
   0.63789689  0.13569646  1.00273429
   0.85763994  0.12154593  0.35071774
   0.63203193  0.40596666  0.11486566
   0.89995656  0.29109326  0.16421154
   0.61733713  0.17676361  0.50485351
   0.89167398  0.09739056  0.87308566
   0.58923052  0.44377324  0.62551343
   0.76644761  0.35290433  0.80224099
   0.66151825  0.66904803  0.00203149
   0.91046738  0.59326414  0.38939079
   0.58360480  0.91266860  0.13685624
   0.83018890  0.84184288  0.26167784
   0.65403742  0.66046146  0.47087313
   0.89227911  0.61391623  0.87785424
   0.64118847  0.91870256  0.62773621
   0.85696417  0.86905357  0.75050025
   0.08269240  0.06175560  0.14795360
   0.36703167  0.17715901  0.27308397
   0.13445207  0.34332544  0.02874751
   0.36976991  0.42946369  0.34614720
   0.54471674  0.34187124  0.20545783
   0.29979236  0.42653664  0.16747484
   0.24119869  0.11427425  0.44114567
  -0.00788764  0.18839119  0.40263253
   0.04307535  0.05770096  0.56125913
   0.48165169  0.25915884  0.78426614
   0.13851257  0.31008913  0.54703890
   0.37931577  0.48268530  0.86003764
   0.45287737  0.47384956  0.68455342
   0.22465966  0.36591138  0.72205491
   0.29018276  0.23810917 -0.10237305
   0.03230358  0.16244277  0.91315330
   0.13154084  0.58745656  0.07324951
   0.40852143  0.67223868  0.25967285
   0.10162524  0.84777435  0.03878509
   0.37885592  0.92532795  0.34332761
   0.41864435  0.90243236  0.16258981
   0.18951958  0.82782094  0.21569169
   0.32561616  0.66066753  0.44486603
   0.07942779  0.58010367  0.41162007
   0.18445602  0.57032792  0.58927109
   0.37259856  0.71278544  0.77961970
   0.10752290  0.80414302  0.50322610
   0.37568493  1.03659261  0.78486820
   0.47744532  0.91832033  0.63348292
   0.22514159  0.93102703  0.65253247
   0.30538897  0.69806645 -0.03919990
   0.05566869  0.64571941  0.89828156
   0.62984974  0.06407726  0.10640211
   0.84637153  0.18149343  0.24402647
   0.60248166  0.30276760  0.01816866
   0.87700007  0.44353162  0.37883305
   0.03007357  0.38286019  0.18396576
   0.77899221  0.40081369  0.15780886
   0.74755667  0.18291100  0.42545479
   0.48651512  0.12053075  0.45308074
   0.68409762  0.07231496  0.58275350
   0.83022903  0.20035202  0.79133097
   0.59990885  0.32871059  0.54014652
   0.87872892  0.44819535  0.85318031
   0.98585368  0.44207888  0.67988147
   0.70443689  0.39239066  0.69856767
   0.77836794  0.10622483  0.95867609
   0.52148927  0.08154347  0.92724587
   0.61351138  0.55516708  0.08489216
   0.87111172  0.68615501  0.29562182
   0.63908653  0.81742825  0.04844979
   0.86013498  0.95100186  0.34724532
   0.92386383  0.85196137  0.16628927
   0.66915058  0.86333508  0.23033454
   0.81628810  0.64885200  0.47783131
   0.56778260  0.57513434  0.39311194
   0.60344364  0.59052068  0.56712409
   0.83417568  0.70862016  0.79179613
   0.61062153  0.81385092  0.44701996
   0.93311436  0.94464024  0.83214346
   0.95648838  0.86042959  0.66107295
   0.71103866  0.93853144  0.73398587
   0.82185326  0.64966639  0.97834183
   0.56111238  0.64546779  0.91698133
   0.74043776  0.82150107  0.58727144
   0.52624283  0.86137214  0.42426475
   0.91189297  0.20801474  0.07824259
   0.92227433  0.36489064  0.41610397
   0.33126246  0.15951682  0.64075894
   0.32461671  0.79551600  0.76368952
   0.14198461  1.09343318  0.20273365
   0.21695531  1.09442570  0.03183241
   0.64360595  0.33279576  0.86773195
   0.90778147  0.46581880  0.64386455
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853907    0.183696   -0.014356
    -0.000000    9.893044    0.106622
    -0.000000    0.000000   14.067727
   Si   O    H 
    32    64    10
Direct configuration=  1758
   0.16061416  0.20583410 -0.02906088
   0.37203199  0.08132370  0.37803882
   0.15312512  0.44006411  0.11564155
   0.39512722  0.34239330  0.24570193
   0.10477934  0.17667042  0.48424358
   0.41472220  0.16040696  0.85475606
   0.14610581  0.42822889  0.63231478
   0.36876789  0.39076046  0.76429553
   0.15179601  0.69598804 -0.00661251
   0.41642993  0.58329225  0.35253256
   0.08070944  0.89168273  0.14833830
   0.34086626  0.82855490  0.25076498
   0.17759091  0.65510372  0.48306121
   0.40932491  0.64194225  0.87691065
   0.07522500  0.90884351  0.59556466
   0.35645684  1.02021345  0.67167371
   0.63620650  0.13616352  1.00296836
   0.85762450  0.12129474  0.35020219
   0.63134488  0.40611426  0.11500201
   0.89920708  0.29155854  0.16490872
   0.61774221  0.17740838  0.50481094
   0.89325690  0.09601886  0.87224999
   0.58885591  0.44449934  0.62477606
   0.76655557  0.35251743  0.80334648
   0.66077165  0.66868524  0.00253276
   0.91109168  0.59285641  0.38906840
   0.58405153  0.91504902  0.13790579
   0.83161437  0.84148102  0.26129583
   0.65415267  0.66040432  0.47167669
   0.89341690  0.61473257  0.87815058
   0.64167001  0.91968540  0.62747004
   0.85830548  0.86929619  0.74994270
   0.08241884  0.06129456  0.14767091
   0.36676182  0.17569544  0.27303054
   0.13532190  0.34226269  0.02881736
   0.36968941  0.42951567  0.34648172
   0.54510686  0.34351858  0.20545335
   0.30049913  0.42902451  0.16713439
   0.24186288  0.11391147  0.44054290
  -0.00810990  0.18895750  0.40452532
   0.04323317  0.05777926  0.56149798
   0.48142086  0.25920959  0.78398183
   0.13970683  0.30869966  0.54578343
   0.37912176  0.48089680  0.85932596
   0.45355762  0.47517406  0.68394348
   0.22426263  0.36684344  0.72191917
   0.28979274  0.23835055 -0.10285492
   0.03389733  0.16319592  0.91240714
   0.13271114  0.58612324  0.07363669
   0.40728798  0.67236833  0.25871728
   0.10344710  0.84763757  0.03870097
   0.37825133  0.92516219  0.34501986
   0.41875753  0.90163988  0.16343141
   0.18992871  0.82924311  0.21649486
   0.32659359  0.65898650  0.44445776
   0.08063180  0.57965205  0.41251175
   0.18510795  0.57114185  0.58959470
   0.37395712  0.71148629  0.78024716
   0.10744717  0.80425505  0.50369843
   0.37609896  1.03605100  0.78418307
   0.47821463  0.91912867  0.63432133
   0.22393449  0.93109627  0.65292577
   0.30579540  0.69724245 -0.04034207
   0.05479404  0.64749111  0.89757466
   0.62791560  0.06291255  0.10787859
   0.84586978  0.18022180  0.24391884
   0.60033887  0.30418175  0.01755423
   0.87754940  0.44519925  0.37897647
   0.02891643  0.38411248  0.18357455
   0.77953319  0.40054027  0.15624594
   0.74586077  0.18396393  0.42454146
   0.48536228  0.12108658  0.45352591
   0.68391151  0.07302851  0.58434144
   0.83349441  0.19936008  0.79122234
   0.60002401  0.33077225  0.53903144
   0.87869025  0.44861446  0.85343685
   0.98827268  0.44052687  0.68019209
   0.70384089  0.39043429  0.69734466
   0.77898942  0.10682426  0.95903735
   0.52119851  0.08102416  0.92822246
   0.61273455  0.55391753  0.08582559
   0.87094822  0.68714601  0.29574621
   0.63826229  0.81697320  0.04921024
   0.85883697  0.95254277  0.34727379
   0.92397677  0.85223119  0.16647862
   0.67134963  0.86478054  0.23087876
   0.81671216  0.65049854  0.47724259
   0.56750633  0.57676229  0.39228691
   0.60191785  0.59138757  0.56831048
   0.83400181  0.70825722  0.79084232
   0.61040315  0.81266855  0.44664850
   0.93494238  0.94439425  0.83161156
   0.95548001  0.85956512  0.66045691
   0.70903511  0.93933299  0.73434994
   0.82052926  0.64960960  0.97842080
   0.56046120  0.64389277  0.91638041
   0.74300243  0.81790086  0.58884671
   0.52980693  0.85418767  0.42317870
   0.90732052  0.20619940  0.07810086
   0.91260397  0.35993125  0.41226742
   0.33410241  0.15720579  0.63386854
   0.32135830  0.79542498  0.76310203
   0.13775758  1.09499714  0.19993529
   0.22330161  1.10065390  0.03106722
   0.64674440  0.33801458  0.87044526
   0.90281900  0.46051429  0.63964689
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854993    0.181327   -0.014161
    -0.000000    9.888974    0.111242
    -0.000000    0.000000   14.067524
   Si   O    H 
    32    64    10
Direct configuration=  1759
   0.16021069  0.20533746 -0.02931768
   0.37356879  0.08097937  0.37783317
   0.15402341  0.43900904  0.11473823
   0.39553421  0.34122910  0.24525829
   0.10508202  0.17583093  0.48480184
   0.41454920  0.15871714  0.85539963
   0.14508774  0.42828854  0.63274497
   0.36973986  0.38995901  0.76465216
   0.15201678  0.69652067 -0.00723403
   0.41731650  0.58245848  0.35259077
   0.08114400  0.89367437  0.14790177
   0.33986383  0.82775531  0.25126906
   0.17751251  0.65450982  0.48266734
   0.40737967  0.64171781  0.87693115
   0.07610377  0.91054678  0.59498307
   0.35641508  1.01985749  0.67152814
   0.63461662  0.13690793  1.00348870
   0.85741472  0.12092936  0.34999814
   0.63011565  0.40537650  0.11484826
   0.89832625  0.29225143  0.16537709
   0.61877065  0.17777423  0.50473029
   0.89469639  0.09485211  0.87173345
   0.58857954  0.44505456  0.62392861
   0.76680902  0.35189268  0.80450112
   0.66009582  0.66859798  0.00311873
   0.91183003  0.59293693  0.38902664
   0.58419216  0.91620225  0.13870296
   0.83293063  0.84080090  0.26091446
   0.65409430  0.66073150  0.47224625
   0.89470437  0.61576898  0.87842383
   0.64189490  0.92053933  0.62731649
   0.85967872  0.86925680  0.74950430
   0.08200269  0.06081340  0.14803626
   0.36687521  0.17493752  0.27362387
   0.13542439  0.34000010  0.02878061
   0.36893180  0.42902734  0.34657752
   0.54584911  0.34572868  0.20540075
   0.30068038  0.43177626  0.16650776
   0.24242321  0.11319978  0.44018972
  -0.00851501  0.18927282  0.40565138
   0.04355143  0.05846450  0.56155778
   0.48073418  0.26038563  0.78373189
   0.14091414  0.30706215  0.54480828
   0.37953147  0.47910261  0.85941193
   0.45368422  0.47612816  0.68297787
   0.22370929  0.36748867  0.72184472
   0.28860160  0.23802139 -0.10264312
   0.03461563  0.16310271  0.91220301
   0.13398562  0.58533991  0.07322879
   0.40552316  0.67217082  0.25759842
   0.10538755  0.84658611  0.03828190
   0.37793593  0.92512794  0.34683143
   0.41955871  0.90056009  0.16388292
   0.19025160  0.82998393  0.21761853
   0.32745056  0.65728299  0.44395464
   0.08207741  0.57865915  0.41314517
   0.18665884  0.57266479  0.58929821
   0.37531077  0.71109343  0.78032147
   0.10720378  0.80393791  0.50431602
   0.37529381  1.03552257  0.78363793
   0.47832220  0.91986173  0.63491076
   0.22268776  0.93126245  0.65343112
   0.30704628  0.69634994 -0.04108630
   0.05402031  0.64880600  0.89725145
   0.62653371  0.06186041  0.10849180
   0.84588547  0.17928390  0.24379933
   0.59814745  0.30584713  0.01733125
   0.87681380  0.44568700  0.37900699
   0.02890713  0.38564574  0.18322780
   0.78082796  0.40021173  0.15447093
   0.74378787  0.18466612  0.42380807
   0.48314197  0.12203386  0.45399583
   0.68256529  0.07358142  0.58589292
   0.83627608  0.19773356  0.79091974
   0.59982073  0.33207140  0.53819452
   0.87820254  0.44942323  0.85389694
   0.99039786  0.43917085  0.67938663
   0.70363941  0.38845293  0.69634746
   0.78058254  0.10710400  0.95913341
   0.52040109  0.08064806  0.92905424
   0.61058945  0.55313036  0.08639064
   0.87120155  0.68708074  0.29605707
   0.63739479  0.81670800  0.05019404
   0.85780593  0.95455608  0.34713713
   0.92423982  0.85270545  0.16723574
   0.67290480  0.86687836  0.23159478
   0.81683807  0.65265862  0.47679505
   0.56695476  0.57853497  0.39101298
   0.60068212  0.59112287  0.56979150
   0.83387000  0.70795773  0.79021944
   0.61038332  0.81229593  0.44658815
   0.93660241  0.94458209  0.83187151
   0.95388555  0.85888581  0.65971653
   0.70813518  0.93879559  0.73523535
   0.81972203  0.64970249  0.97859860
   0.55956921  0.64198111  0.91549325
   0.74230897  0.81477096  0.59041350
   0.52808865  0.84747386  0.42201595
   0.90762889  0.20830372  0.07946002
   0.90381590  0.36379490  0.40742931
   0.33932686  0.15738011  0.62730685
   0.32179462  0.79399021  0.76242874
   0.13666749  1.09437084  0.19629756
   0.23015065  1.10592159  0.03152219
   0.65173627  0.34104280  0.87130271
   0.90851171  0.44731021  0.63998216
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855739    0.179321   -0.014284
    -0.000000    9.885040    0.115720
    -0.000000    0.000000   14.067451
   Si   O    H 
    32    64    10
Direct configuration=  1760
   0.16062891  0.20506500 -0.02916335
   0.37490553  0.08073256  0.37747023
   0.15463744  0.43786016  0.11393355
   0.39583566  0.34039711  0.24521844
   0.10512761  0.17495271  0.48556277
   0.41442233  0.15705009  0.85562068
   0.14413815  0.42805138  0.63301875
   0.37054494  0.38984013  0.76469755
   0.15194908  0.69727233 -0.00860356
   0.41846625  0.58124427  0.35293290
   0.08123727  0.89566388  0.14732139
   0.33937336  0.82696671  0.25197529
   0.17752606  0.65401625  0.48286852
   0.40591278  0.64114411  0.87709507
   0.07765063  0.91194580  0.59487779
   0.35622841  1.01925876  0.67175120
   0.63296807  0.13765524  1.00384756
   0.85669898  0.12115842  0.34975294
   0.62911645  0.40461856  0.11472287
   0.89733879  0.29238029  0.16578318
   0.61993913  0.17791046  0.50446846
   0.89612028  0.09411410  0.87133754
   0.58880077  0.44569223  0.62326461
   0.76676389  0.35110556  0.80533712
   0.65981341  0.66886208  0.00409040
   0.91291888  0.59341203  0.38938601
   0.58434028  0.91751078  0.13961220
   0.83413759  0.84035480  0.26095041
   0.65355842  0.66146761  0.47290261
   0.89635953  0.61642197  0.87905588
   0.64231168  0.92170789  0.62731073
   0.86010394  0.86906851  0.74927679
   0.08175187  0.06026925  0.14827698
   0.36659464  0.17388459  0.27473325
   0.13534535  0.33777627  0.02897305
   0.36813782  0.42835833  0.34663925
   0.54692287  0.34829751  0.20567360
   0.30106036  0.43412435  0.16570459
   0.24243053  0.11287107  0.43972530
  -0.00887621  0.19016655  0.40662195
   0.04369452  0.05978945  0.56199273
   0.47995207  0.26103960  0.78293112
   0.14171069  0.30664962  0.54394992
   0.37971197  0.47761282  0.85957621
   0.45419434  0.47679078  0.68234305
   0.22247768  0.36737928  0.72175145
   0.28665840  0.23728399 -0.10293695
   0.03498762  0.16245628  0.91196495
   0.13508244  0.58543846  0.07305136
   0.40391745  0.67319234  0.25646476
   0.10652865  0.84565101  0.03754989
   0.37711773  0.92480510  0.34800155
   0.42065446  0.89973339  0.16448620
   0.19100416  0.83038642  0.21911036
   0.32895144  0.65539920  0.44313523
   0.08167359  0.57814969  0.41346172
   0.18902262  0.57446018  0.58916877
   0.37615001  0.71122385  0.78001616
   0.10679474  0.80348107  0.50515763
   0.37450915  1.03500824  0.78351564
   0.47827922  0.92077323  0.63535582
   0.22096233  0.93039037  0.65388929
   0.30829158  0.69589864 -0.04145580
   0.05392750  0.65084966  0.89680517
   0.62527608  0.06124182  0.10897124
   0.84637553  0.17829053  0.24353299
   0.59607776  0.30643748  0.01750614
   0.87603176  0.44630996  0.37837817
   0.02927400  0.38615584  0.18289168
   0.78102773  0.40022379  0.15320985
   0.74177772  0.18536524  0.42311859
   0.48061235  0.12322490  0.45397910
   0.68151133  0.07437333  0.58702640
   0.83833709  0.19646304  0.79089569
   0.59888579  0.33415323  0.53807365
   0.87674196  0.45117197  0.85438711
   0.99249763  0.43883838  0.67849777
   0.70354724  0.38717763  0.69520858
   0.78238178  0.10720204  0.95984165
   0.51954389  0.08003843  0.93020250
   0.60827433  0.55340173  0.08615918
   0.87131628  0.68745134  0.29675108
   0.63582112  0.81625703  0.05096934
   0.85745652  0.95525620  0.34694887
   0.92495699  0.85385477  0.16799207
   0.67443091  0.86850547  0.23239646
   0.81666038  0.65467041  0.47644599
   0.56730365  0.58023872  0.38972298
   0.59941615  0.59065485  0.57121928
   0.83347018  0.70731823  0.79001791
   0.61085274  0.81263712  0.44709553
   0.93870651  0.94509130  0.83277644
   0.95257044  0.85799655  0.65882289
   0.70661668  0.93821145  0.73654448
   0.81842706  0.65048542  0.97837646
   0.55948820  0.64112657  0.91493206
   0.73479978  0.80984776  0.59205123
   0.52228131  0.84387090  0.41821242
   0.90995684  0.20991242  0.08025941
   0.89910201  0.35829457  0.40523349
   0.34390826  0.15429411  0.62056942
   0.32497525  0.78746092  0.76474060
   0.14318026  1.09715137  0.19693347
   0.23397773  1.11179883  0.03128819
   0.65850443  0.34374105  0.86884582
   0.91826427  0.43059823  0.64140689
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856530    0.177189   -0.015040
    -0.000000    9.880917    0.119913
    -0.000000    0.000000   14.067248
   Si   O    H 
    32    64    10
Direct configuration=  1761
   0.16054529  0.20480852 -0.02883261
   0.37622955  0.08073535  0.37713903
   0.15466343  0.43704437  0.11353598
   0.39625469  0.34004378  0.24525425
   0.10517425  0.17444299  0.48643403
   0.41476140  0.15545203  0.85581517
   0.14349365  0.42766270  0.63291821
   0.37134689  0.38999322  0.76445758
   0.15230528  0.69786496 -0.00984489
   0.41972443  0.57990443  0.35398037
   0.08093345  0.89693959  0.14664915
   0.33956386  0.82678830  0.25311166
   0.17727353  0.65342923  0.48304733
   0.40415331  0.63924688  0.87705376
   0.07924443  0.91268256  0.59474335
   0.35576123  1.01856632  0.67178660
   0.63203605  0.13796022  1.00390147
   0.85612954  0.12168130  0.34991401
   0.62894289  0.40358181  0.11440244
   0.89676547  0.29200767  0.16604657
   0.62100315  0.17785677  0.50449981
   0.89716062  0.09424449  0.87096722
   0.58918752  0.44572063  0.62252488
   0.76727584  0.35047459  0.80555496
   0.66039792  0.66866083  0.00476173
   0.91424413  0.59427739  0.38959952
   0.58432647  0.91748831  0.14019663
   0.83491528  0.83953768  0.26146299
   0.65288662  0.66122474  0.47297775
   0.89762156  0.61702709  0.87967035
   0.64209287  0.92305870  0.62743959
   0.86002513  0.86769493  0.74946352
   0.08224322  0.06012637  0.14884382
   0.36592022  0.17439240  0.27506468
   0.13520575  0.33577139  0.02888989
   0.36721105  0.42732852  0.34651679
   0.54805164  0.35042486  0.20589377
   0.30204132  0.43555260  0.16503877
   0.24237452  0.11202282  0.43955762
  -0.00929546  0.19022906  0.40719504
   0.04350578  0.06111009  0.56198931
   0.47931239  0.26180991  0.78244572
   0.14239954  0.30659265  0.54374320
   0.37922303  0.47605983  0.86031285
   0.45456636  0.47717703  0.68128600
   0.22156170  0.36747721  0.72152533
   0.28449843  0.23676958 -0.10313396
   0.03474558  0.16149097  0.91160518
   0.13639083  0.58596833  0.07335314
   0.40256791  0.67426212  0.25572837
   0.10691310  0.84494918  0.03709724
   0.37668929  0.92340987  0.34938256
   0.42227494  0.89842331  0.16507245
   0.19076642  0.83068632  0.22057453
   0.33016505  0.65440567  0.44238197
   0.08006342  0.57735439  0.41370221
   0.19102528  0.57597420  0.58905711
   0.37744602  0.71160695  0.77972690
   0.10631310  0.80340518  0.50640786
   0.37396075  1.03473642  0.78334321
   0.47795881  0.92120726  0.63547443
   0.21926760  0.92977370  0.65447025
   0.30905741  0.69563765 -0.04151520
   0.05511612  0.65263625  0.89646328
   0.62479706  0.06142126  0.10881104
   0.84651851  0.17708820  0.24360708
   0.59389888  0.30671269  0.01832190
   0.87521075  0.44609556  0.37763315
   0.03056845  0.38671667  0.18297405
   0.78203893  0.39998429  0.15162242
   0.74030970  0.18511571  0.42237168
   0.47975295  0.12502351  0.45373553
   0.68074341  0.07483257  0.58776411
   0.84003853  0.19596763  0.79036302
   0.59860618  0.33643605  0.53807740
   0.87537636  0.45248990  0.85511071
   0.99522154  0.43909688  0.67850253
   0.70396905  0.38642569  0.69474995
   0.78435796  0.10737895  0.96092307
   0.51900035  0.07911024  0.93100522
   0.60678782  0.55500350  0.08547715
   0.87093181  0.68771203  0.29746377
   0.63403128  0.81644812  0.05133002
   0.85710293  0.95510323  0.34687147
   0.92524287  0.85413352  0.16854870
   0.67571433  0.86989120  0.23362751
   0.81706659  0.65603463  0.47574229
   0.56847422  0.58135752  0.38829078
   0.59893192  0.59032627  0.57252322
   0.83212867  0.70683725  0.78974764
   0.61090453  0.81429496  0.44797219
   0.94100171  0.94608593  0.83417059
   0.95228593  0.85810689  0.65766094
   0.70580722  0.93703509  0.73764403
   0.81694131  0.65147507  0.97810388
   0.55934108  0.64036600  0.91433217
   0.72481951  0.80726524  0.59333419
   0.51869985  0.84162861  0.41608290
   0.91270101  0.21329900  0.08184270
   0.89213943  0.35373379  0.40508814
   0.34652447  0.14720744  0.61670406
   0.32453751  0.79162007  0.76716385
   0.14696165  1.09817203  0.19608988
   0.23624774  1.11811793  0.03251644
   0.65489311  0.34481319  0.87045062
   0.91298736  0.41552230  0.63443626
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857542    0.175325   -0.016017
    -0.000000    9.876776    0.124123
    -0.000000    0.000000   14.067154
   Si   O    H 
    32    64    10
Direct configuration=  1762
   0.16089976  0.20426714 -0.02896714
   0.37712797  0.08127962  0.37659372
   0.15460047  0.43619584  0.11352967
   0.39581088  0.33988325  0.24598282
   0.10453389  0.17377294  0.48691194
   0.41527448  0.15347359  0.85601198
   0.14197135  0.42693178  0.63256408
   0.37254104  0.39046467  0.76364046
   0.15188866  0.69830635 -0.01092123
   0.42071864  0.57856628  0.35494346
   0.07985747  0.89801757  0.14628977
   0.34083036  0.82706024  0.25413348
   0.17763238  0.65307771  0.48363708
   0.40231171  0.63761698  0.87688386
   0.08088380  0.91297135  0.59430000
   0.35533752  1.01780321  0.67172099
   0.63107444  0.13823668  1.00379089
   0.85623587  0.12186663  0.35022912
   0.62874206  0.40207100  0.11376457
   0.89633324  0.29158482  0.16647285
   0.62220233  0.17736414  0.50445427
   0.89864772  0.09426849  0.87078184
   0.58913937  0.44555384  0.62212059
   0.76729754  0.34978756  0.80573189
   0.66054284  0.66837741  0.00551508
   0.91579898  0.59537889  0.38960021
   0.58423147  0.91674623  0.14086034
   0.83519362  0.83911862  0.26221080
   0.65246703  0.66045155  0.47320375
   0.89878550  0.61717460  0.88008014
   0.64180011  0.92479888  0.62791372
   0.85993267  0.86643197  0.74962392
   0.08316080  0.06110460  0.14917760
   0.36554835  0.17580599  0.27527371
   0.13517744  0.33503348  0.02922998
   0.36596007  0.42643175  0.34661001
   0.54928542  0.35201916  0.20634792
   0.30319048  0.43646771  0.16530018
   0.24258041  0.11151648  0.43897575
  -0.00985959  0.19036820  0.40743582
   0.04245742  0.06248565  0.56186327
   0.47826377  0.26259694  0.78205154
   0.14357002  0.30763743  0.54395957
   0.37846187  0.47444279  0.86117752
   0.45544455  0.47784002  0.68074440
   0.22082937  0.36696211  0.72117019
   0.28263651  0.23589848 -0.10368181
   0.03434994  0.15979114  0.91099188
   0.13751375  0.58645563  0.07370712
   0.40128920  0.67482607  0.25586377
   0.10791629  0.84392299  0.03650630
   0.37556770  0.92108842  0.35012031
   0.42462503  0.89753674  0.16556097
   0.19008401  0.83123833  0.22176089
   0.33105017  0.65344181  0.44101061
   0.07800479  0.57657711  0.41363900
   0.19273479  0.57756898  0.58876113
   0.37865232  0.71212267  0.77889035
   0.10580005  0.80453203  0.50773995
   0.37313945  1.03456183  0.78336524
   0.47863895  0.92204163  0.63517435
   0.21772164  0.92948534  0.65504219
   0.30882615  0.69540285 -0.04126679
   0.05668081  0.65409710  0.89641758
   0.62482623  0.06226700  0.10810327
   0.84733002  0.17574798  0.24387851
   0.59175324  0.30759821  0.01936646
   0.87331441  0.44525879  0.37716162
   0.03163337  0.38805846  0.18308987
   0.78379257  0.40001098  0.14961730
   0.73873306  0.18489321  0.42168726
   0.47988107  0.12646152  0.45377410
   0.67908149  0.07561949  0.58819806
   0.84149540  0.19596291  0.78998879
   0.59805477  0.33792750  0.53760866
   0.87376788  0.45469345  0.85552281
   0.99738249  0.43914004  0.67810091
   0.70472038  0.38570748  0.69497075
   0.78531674  0.10764483  0.96179166
   0.51842019  0.07908240  0.93142653
   0.60530248  0.55783105  0.08518546
   0.87069852  0.68828668  0.29825388
   0.63122062  0.81619663  0.05162858
   0.85653412  0.95483780  0.34690411
   0.92591830  0.85458298  0.16927344
   0.67659403  0.87116640  0.23511920
   0.81723270  0.65751493  0.47509187
   0.57009116  0.58268932  0.38691442
   0.59875485  0.59017756  0.57354892
   0.82996167  0.70659846  0.78872382
   0.60992758  0.81665547  0.44864581
   0.94267500  0.94688855  0.83523032
   0.95255051  0.85830332  0.65685889
   0.70504341  0.93503360  0.73823645
   0.81584834  0.65139796  0.97775332
   0.55978346  0.64003451  0.91360902
   0.71459729  0.80736203  0.59403269
   0.52316248  0.83520215  0.41676133
   0.91404359  0.21706570  0.08261209
   0.88674083  0.35828340  0.40489759
   0.34630626  0.13903986  0.61068471
   0.32309060  0.79582967  0.76892223
   0.14989132  1.09816143  0.19187909
   0.23897829  1.11900445  0.03551608
   0.65021789  0.34594315  0.87432921
   0.91630357  0.40078948  0.63335643
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858637    0.172911   -0.017627
    -0.000000    9.872972    0.128357
    -0.000000    0.000000   14.066884
   Si   O    H 
    32    64    10
Direct configuration=  1763
   0.16079087  0.20397519 -0.02901312
   0.37761194  0.08196681  0.37578369
   0.15505929  0.43535300  0.11413644
   0.39473711  0.34027492  0.24645702
   0.10375058  0.17297921  0.48768643
   0.41526670  0.15136222  0.85569482
   0.14078110  0.42640638  0.63221756
   0.37374571  0.39114905  0.76300075
   0.15127334  0.69897024 -0.01155485
   0.42118483  0.57802702  0.35596370
   0.07870497  0.89912371  0.14565882
   0.34202183  0.82770820  0.25512520
   0.17786558  0.65313345  0.48449429
   0.40068669  0.63598336  0.87661924
   0.08276283  0.91290856  0.59437210
   0.35450953  1.01684636  0.67155336
   0.63034799  0.13858398  1.00352560
   0.85648599  0.12189990  0.35053543
   0.62851853  0.40071234  0.11342433
   0.89636053  0.29118354  0.16714163
   0.62325386  0.17642414  0.50417399
   0.90000632  0.09423975  0.87074818
   0.58924080  0.44557753  0.62141076
   0.76719243  0.34853989  0.80514547
   0.66053130  0.66811413  0.00607626
   0.91693951  0.59658615  0.38970457
   0.58474327  0.91605440  0.14165767
   0.83512993  0.83917310  0.26278809
   0.65213265  0.65923564  0.47297256
   0.89951773  0.61737640  0.88042148
   0.64196892  0.92616058  0.62867769
   0.85949598  0.86462475  0.74947119
   0.08403708  0.06309807  0.14988617
   0.36468871  0.17732567  0.27538047
   0.13517104  0.33472545  0.02975382
   0.36498509  0.42494115  0.34625000
   0.54997432  0.35399058  0.20661520
   0.30495128  0.43637302  0.16596669
   0.24196919  0.11104930  0.43870348
  -0.01126352  0.19116309  0.40758977
   0.04202478  0.06371098  0.56120728
   0.47764847  0.26331495  0.78150531
   0.14503665  0.30917612  0.54442529
   0.37728990  0.47336826  0.86251285
   0.45541374  0.47870606  0.68010561
   0.22039696  0.36709840  0.72106301
   0.28099021  0.23543999 -0.10374909
   0.03421837  0.15847090  0.91076200
   0.13873220  0.58691139  0.07340694
   0.40072534  0.67448070  0.25674155
   0.10896719  0.84360775  0.03628544
   0.37421980  0.91933624  0.35098416
   0.42688402  0.89699211  0.16603661
   0.18982654  0.83216723  0.22323720
   0.33219886  0.65189893  0.43976636
   0.07637334  0.57640330  0.41387668
   0.19520015  0.57766951  0.58873378
   0.37915504  0.71350241  0.77761202
   0.10543453  0.80581472  0.50886820
   0.37187865  1.03392071  0.78393918
   0.47890853  0.92286112  0.63504221
   0.21677837  0.92912115  0.65590848
   0.30829790  0.69460431 -0.04138860
   0.05849891  0.65557863  0.89563416
   0.62424048  0.06453202  0.10721497
   0.84819472  0.17512986  0.24434845
   0.58919567  0.30826371  0.02052014
   0.87153862  0.44428940  0.37675570
   0.03242160  0.38887165  0.18364621
   0.78521970  0.40066305  0.14802991
   0.73754456  0.18467800  0.42104751
   0.48109936  0.12779646  0.45413421
   0.67714641  0.07629112  0.58852744
   0.84261021  0.19756781  0.79000602
   0.59715354  0.33916967  0.53682035
   0.87181355  0.45643662  0.85640754
   0.99761760  0.43873561  0.67764437
   0.70567229  0.38516229  0.69541811
   0.78632524  0.10818252  0.96280801
   0.51791459  0.07979506  0.93133681
   0.60408277  0.56121540  0.08502989
   0.87057009  0.68828357  0.29883451
   0.62744845  0.81677548  0.05267239
   0.85485596  0.95518222  0.34753443
   0.92622000  0.85568989  0.16956409
   0.67692882  0.87235918  0.23616111
   0.81771467  0.65867409  0.47413898
   0.57212562  0.58411950  0.38583197
   0.59937249  0.59064370  0.57407574
   0.82805485  0.70710896  0.78772659
   0.60837201  0.81901751  0.44916864
   0.94305242  0.94688527  0.83599798
   0.95279058  0.85858861  0.65547189
   0.70621974  0.93332159  0.73860080
   0.81516472  0.65172695  0.97699350
   0.56091947  0.64088017  0.91291331
   0.70715475  0.80639725  0.59627596
   0.52400323  0.82877306  0.41756632
   0.91053665  0.21690588  0.07793853
   0.88773643  0.35811371  0.40799199
   0.34501188  0.13057631  0.60676823
   0.32218990  0.80037649  0.76928009
   0.15414985  1.10151622  0.18967938
   0.23988784  1.11849834  0.03794280
   0.65263097  0.34918317  0.87309186
   0.92733690  0.39015173  0.63800501
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859533    0.170889   -0.019223
    -0.000000    9.869289    0.132760
    -0.000000    0.000000   14.066576
   Si   O    H 
    32    64    10
Direct configuration=  1764
   0.16075578  0.20350835 -0.02879562
   0.37838623  0.08234280  0.37523891
   0.15580614  0.43446617  0.11471938
   0.39372235  0.34084769  0.24698226
   0.10357317  0.17222771  0.48808702
   0.41505217  0.14926645  0.85515467
   0.13976278  0.42663870  0.63153595
   0.37478290  0.39223602  0.76208330
   0.15006899  0.69957069 -0.01177610
   0.42106201  0.57778278  0.35677758
   0.07806736  0.90001477  0.14533611
   0.34345437  0.82825334  0.25611081
   0.17791584  0.65262715  0.48549026
   0.39922548  0.63381357  0.87629636
   0.08419954  0.91257922  0.59410290
   0.35410288  1.01664871  0.67112944
   0.63002707  0.13941441  1.00313096
   0.85654689  0.12158481  0.35076108
   0.62798429  0.39951465  0.11268598
   0.89582071  0.29041148  0.16801409
   0.62449032  0.17566304  0.50373377
   0.90080115  0.09438004  0.87088158
   0.58965572  0.44514973  0.62097173
   0.76774214  0.34730646  0.80456564
   0.65993496  0.66831906  0.00683550
   0.91793313  0.59774488  0.38957835
   0.58530341  0.91478087  0.14211221
   0.83495749  0.83920893  0.26362179
   0.65106518  0.65813296  0.47272849
   0.89957212  0.61750680  0.88041266
   0.64218624  0.92825585  0.62939797
   0.85926374  0.86262272  0.74953062
   0.08431694  0.06497402  0.15111891
   0.36376430  0.17886996  0.27524550
   0.13556598  0.33542097  0.03018856
   0.36376884  0.42299609  0.34569292
   0.54954125  0.35623146  0.20732715
   0.30592071  0.43626062  0.16705016
   0.24128113  0.11079615  0.43923549
  -0.01305315  0.19209385  0.40731054
   0.04217828  0.06508300  0.56000833
   0.47722902  0.26369013  0.78080839
   0.14674908  0.31072739  0.54451984
   0.37579031  0.47279698  0.86384176
   0.45521680  0.47928450  0.67947510
   0.22103123  0.36708442  0.72142694
   0.27990385  0.23552916 -0.10390580
   0.03471027  0.15665929  0.90982220
   0.13992800  0.58774822  0.07342337
   0.39937126  0.67356947  0.25832032
   0.11030189  0.84223256  0.03715428
   0.37319380  0.91861268  0.35168918
   0.42832990  0.89635544  0.16642533
   0.18913541  0.83389630  0.22389823
   0.33301098  0.65121915  0.43893995
   0.07446347  0.57642191  0.41381274
   0.19655763  0.57754082  0.58890216
   0.37912041  0.71556994  0.77560426
   0.10465683  0.80757873  0.51005131
   0.37037044  1.03331874  0.78502013
   0.47912870  0.92331570  0.63484436
   0.21574981  0.92929586  0.65624922
   0.30761393  0.69489633 -0.04141191
   0.05953834  0.65657486  0.89567919
   0.62378049  0.06647664  0.10642564
   0.84853914  0.17411609  0.24509345
   0.58737025  0.30851332  0.02162382
   0.87007167  0.44415403  0.37647250
   0.03333548  0.38986219  0.18495420
   0.78672447  0.40146094  0.14726951
   0.73710642  0.18355184  0.42079806
   0.48225409  0.12890931  0.45454642
   0.67492647  0.07701034  0.58911398
   0.84304358  0.19919892  0.78927072
   0.59657605  0.33931119  0.53642635
   0.87130813  0.45812940  0.85713286
   0.99731652  0.43764295  0.67647503
   0.70717680  0.38534189  0.69586819
   0.78711155  0.10888929  0.96325025
   0.51809109  0.08077512  0.93223210
   0.60319019  0.56454388  0.08532025
   0.87119221  0.68883720  0.29976523
   0.62476792  0.81732551  0.05338471
   0.85338225  0.95568333  0.34838538
   0.92610913  0.85711311  0.16883481
   0.67712046  0.87277842  0.23701107
   0.81789825  0.66049796  0.47366381
   0.57509796  0.58506348  0.38525153
   0.60118654  0.59152716  0.57400167
   0.82739556  0.70757324  0.78696754
   0.60797008  0.82066508  0.44942937
   0.94263658  0.94719958  0.83670320
   0.95299474  0.85834150  0.65415808
   0.70726599  0.93174438  0.73866789
   0.81513077  0.65263740  0.97653336
   0.56229580  0.64257562  0.91246710
   0.69964058  0.80264067  0.59611879
   0.51656026  0.82752387  0.41394414
   0.90989662  0.21274841  0.07210104
   0.88886026  0.35495608  0.41233067
   0.34588447  0.12686789  0.60382495
   0.32860520  0.79770794  0.77019346
   0.15606299  1.10252422  0.18624946
   0.24098224  1.11614957  0.03996559
   0.65905978  0.35136798  0.87103710
   0.93975921  0.38376678  0.64354628
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860615    0.169459   -0.020776
    -0.000000    9.865864    0.137294
    -0.000000    0.000000   14.066357
   Si   O    H 
    32    64    10
Direct configuration=  1765
   0.16177966  0.20281333 -0.02859834
   0.37878763  0.08306427  0.37456710
   0.15619884  0.43350154  0.11547433
   0.39256820  0.34209724  0.24797746
   0.10336864  0.17217272  0.48822626
   0.41420330  0.14771527  0.85453894
   0.13945819  0.42667743  0.63030285
   0.37511072  0.39388125  0.76101991
   0.14936139  0.69935015 -0.01176664
   0.42063051  0.57785004  0.35756724
   0.07719374  0.90083497  0.14515292
   0.34475483  0.82900873  0.25737271
   0.17834429  0.65270130  0.48622423
   0.39862816  0.63139289  0.87545933
   0.08604217  0.91247479  0.59390530
   0.35364510  1.01604615  0.67106787
   0.62936648  0.14043255  1.00242618
   0.85680159  0.12110528  0.35104445
   0.62771404  0.39836875  0.11211899
   0.89607430  0.28942228  0.16886491
   0.62556943  0.17515827  0.50319229
   0.90094652  0.09476778  0.87134237
   0.58984419  0.44513060  0.62095649
   0.76792595  0.34604314  0.80367696
   0.65927788  0.66859703  0.00791080
   0.91854919  0.59811360  0.38944389
   0.58610618  0.91352033  0.14250768
   0.83479262  0.83899928  0.26459531
   0.64964662  0.65721589  0.47244405
   0.89909214  0.61730040  0.88080295
   0.64219789  0.93063119  0.62979621
   0.85869312  0.86051312  0.75022974
   0.08424956  0.06577840  0.15234708
   0.36282291  0.18043334  0.27527024
   0.13505566  0.33659629  0.03050640
   0.36238863  0.42065704  0.34465287
   0.54941636  0.35817107  0.20844716
   0.30745564  0.43608158  0.16869924
   0.24033112  0.11073219  0.43947138
  -0.01565697  0.19275650  0.40711479
   0.04151300  0.06577164  0.55933838
   0.47684712  0.26452016  0.78080624
   0.14780166  0.31225474  0.54490606
   0.37468155  0.47193659  0.86428271
   0.45498676  0.47885825  0.67888246
   0.22259440  0.36723789  0.72236170
   0.27867395  0.23504722 -0.10426513
   0.03562110  0.15573796  0.90934123
   0.14147222  0.58879247  0.07392087
   0.39789631  0.67288563  0.26002325
   0.11073913  0.84128456  0.03845154
   0.37203009  0.91788960  0.35185027
   0.42900994  0.89616690  0.16663171
   0.18769445  0.83518694  0.22487336
   0.33296178  0.65112992  0.43812875
   0.07324667  0.57677149  0.41332138
   0.19835378  0.57697000  0.58919634
   0.37860979  0.71745457  0.77411436
   0.10467991  0.80857266  0.51076640
   0.36867870  1.03253691  0.78563531
   0.47942715  0.92395839  0.63443074
   0.21476713  0.92974611  0.65657730
   0.30646544  0.69545627 -0.04150618
   0.06024443  0.65732479  0.89539681
   0.62393706  0.06872715  0.10579367
   0.84901140  0.17346106  0.24566181
   0.58533051  0.30780268  0.02215745
   0.86995019  0.44273946  0.37677668
   0.03336308  0.39094893  0.18675022
   0.78795655  0.40236701  0.14622596
   0.73575576  0.18244258  0.42054582
   0.48395175  0.12921435  0.45508205
   0.67382455  0.07852662  0.58929448
   0.84333606  0.20203385  0.78804802
   0.59671995  0.33856784  0.53624733
   0.87075835  0.45951069  0.85770718
   0.99716531  0.43763013  0.67534152
   0.70846174  0.38599164  0.69652852
   0.78793220  0.10991161  0.96326409
   0.51850167  0.08231245  0.93295507
   0.60233103  0.56657623  0.08538880
   0.87200055  0.68918985  0.30107831
   0.62335349  0.81657882  0.05343387
   0.85192364  0.95491718  0.34878105
   0.92554357  0.85876260  0.16775418
   0.67753139  0.87326341  0.23773460
   0.81826015  0.66255259  0.47353646
   0.57827992  0.58661919  0.38504565
   0.60412236  0.59301515  0.57327587
   0.82790775  0.70841916  0.78655615
   0.60664398  0.82157512  0.44937157
   0.94225222  0.94696500  0.83722447
   0.95265705  0.85841046  0.65279958
   0.70901917  0.93088498  0.73869470
   0.81487737  0.65345940  0.97570781
   0.56311628  0.64437049  0.91220970
   0.69227317  0.79916101  0.59339954
   0.51708916  0.82620242  0.41254277
   0.90873168  0.20958807  0.07303557
   0.89222880  0.35948583  0.41216389
   0.34615197  0.12821857  0.60031682
   0.33528474  0.80121755  0.77064266
   0.16416930  1.10270085  0.18769446
   0.23854162  1.11150725  0.03966702
   0.66287041  0.35112231  0.87034282
   0.93717127  0.36822095  0.64088610
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861574    0.168530   -0.022414
    -0.000000    9.862436    0.141991
    -0.000000    0.000000   14.065962
   Si   O    H 
    32    64    10
Direct configuration=  1766
   0.16347766  0.20257200 -0.02851396
   0.37888308  0.08377081  0.37389909
   0.15707887  0.43345027  0.11637852
   0.39106762  0.34318068  0.24893978
   0.10341924  0.17228148  0.48860841
   0.41366603  0.14721719  0.85432010
   0.13963014  0.42655178  0.62859301
   0.37584400  0.39526238  0.76035192
   0.14883800  0.69867688 -0.01217572
   0.41962684  0.57785844  0.35818266
   0.07671259  0.90117090  0.14491996
   0.34595738  0.82961006  0.25848672
   0.17857007  0.65278219  0.48716927
   0.39843666  0.62925659  0.87505274
   0.08694157  0.91247424  0.59392308
   0.35271140  1.01529404  0.67102226
   0.62919447  0.14105365  1.00169545
   0.85725164  0.12047010  0.35162527
   0.62805327  0.39754424  0.11159879
   0.89661101  0.28820681  0.16960997
   0.62622954  0.17513700  0.50272450
   0.90038112  0.09532472  0.87195585
   0.59041893  0.44470895  0.62063098
   0.76891253  0.34569499  0.80292957
   0.65838698  0.66848318  0.00901566
   0.91867007  0.59805458  0.38984411
   0.58727726  0.91185505  0.14247944
   0.83477209  0.83897687  0.26582593
   0.64851113  0.65716665  0.47237822
   0.89876331  0.61701252  0.88091926
   0.64194901  0.93260166  0.63004227
   0.85805833  0.85838306  0.75058698
   0.08436926  0.06680928  0.15387507
   0.36157088  0.18096268  0.27487823
   0.13438616  0.33694512  0.03119271
   0.36172782  0.41955470  0.34366842
   0.54941730  0.35967516  0.20977263
   0.30935801  0.43560331  0.16948908
   0.23913234  0.11139432  0.43939099
  -0.01731322  0.19383411  0.40677988
   0.04168966  0.06605197  0.55840784
   0.47662433  0.26530079  0.78116740
   0.14850759  0.31415672  0.54471296
   0.37394086  0.47102272  0.86407051
   0.45498463  0.47722759  0.67884232
   0.22457185  0.36726452  0.72321506
   0.27780313  0.23412032 -0.10516579
   0.03790900  0.15497745  0.90921469
   0.14316031  0.58982301  0.07453174
   0.39672897  0.67216951  0.26089337
   0.11037830  0.84144081  0.03897623
   0.37027685  0.91764047  0.35201756
   0.42911656  0.89665206  0.16732586
   0.18636426  0.83637944  0.22540283
   0.33273144  0.65164799  0.43721409
   0.07244776  0.57821816  0.41305522
   0.19948138  0.57596932  0.58938836
   0.37812917  0.71820070  0.77287199
   0.10419126  0.80872181  0.51065075
   0.36659339  1.03185316  0.78605865
   0.47941719  0.92387880  0.63391224
   0.21380829  0.93009053  0.65749151
   0.30574041  0.69550989 -0.04194090
   0.06137939  0.65840296  0.89537732
   0.62427327  0.07058637  0.10591845
   0.85011383  0.17276022  0.24597224
   0.58396576  0.30641429  0.02280832
   0.87000191  0.44067404  0.37694462
   0.03303508  0.39177624  0.18847939
   0.78819736  0.40303379  0.14492705
   0.73469706  0.18145372  0.41996168
   0.48620917  0.12886264  0.45578924
   0.67308329  0.07977657  0.58968275
   0.84458969  0.20463219  0.78716232
   0.59754377  0.33718141  0.53639646
   0.86975455  0.46092500  0.85776968
   0.99694583  0.43705240  0.67408655
   0.70929964  0.38758368  0.69636187
   0.78874313  0.11210664  0.96309205
   0.51872035  0.08427970  0.93352979
   0.60143139  0.56755132  0.08560033
   0.87240102  0.69022797  0.30171781
   0.62230408  0.81573254  0.05323835
   0.85093210  0.95410715  0.34873246
   0.92440549  0.86067303  0.16740445
   0.67811352  0.87390699  0.23839742
   0.81759838  0.66408152  0.47359602
   0.58149106  0.58798117  0.38514365
   0.60619200  0.59367564  0.57261183
   0.82958040  0.70953779  0.78628359
   0.60559842  0.82231833  0.44883584
   0.94175036  0.94687609  0.83763701
   0.95260967  0.85794448  0.65236194
   0.70986149  0.93043036  0.73874824
   0.81480484  0.65431206  0.97470119
   0.56376839  0.64666333  0.91196872
   0.68549618  0.79884264  0.59149241
   0.51941685  0.82278893  0.41172223
   0.90409539  0.20665104  0.07621325
   0.89870052  0.36361354  0.41205889
   0.34642138  0.13302701  0.60088150
   0.33804755  0.81539580  0.77284134
   0.16453776  1.09832738  0.18738208
   0.23668289  1.11020367  0.03577200
   0.66337544  0.35013106  0.87202494
   0.93829147  0.36138746  0.63976483
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862437    0.167435   -0.024023
    -0.000000    9.859158    0.147059
    -0.000000    0.000000   14.065498
   Si   O    H 
    32    64    10
Direct configuration=  1767
   0.16546156  0.20229098 -0.02780634
   0.37908221  0.08448949  0.37344461
   0.15819218  0.43352209  0.11747307
   0.38978788  0.34358038  0.24965157
   0.10337376  0.17261888  0.48860299
   0.41289826  0.14736220  0.85401697
   0.14032596  0.42587498  0.62678853
   0.37563043  0.39619657  0.75977806
   0.14904493  0.69797976 -0.01234313
   0.41840920  0.57823884  0.35888123
   0.07697592  0.90170302  0.14437968
   0.34690278  0.83034189  0.25952529
   0.17866802  0.65380993  0.48786918
   0.39851802  0.62824834  0.87473187
   0.08694188  0.91252180  0.59423564
   0.35225737  1.01506838  0.67070712
   0.62972575  0.14147356  1.00067352
   0.85836752  0.12029535  0.35223864
   0.62915713  0.39737888  0.11130276
   0.89755543  0.28756060  0.16968830
   0.62630364  0.17526540  0.50241449
   0.89972767  0.09590734  0.87254931
   0.59125290  0.44382248  0.62053209
   0.77033020  0.34563309  0.80230186
   0.65728604  0.66884585  0.00953942
   0.91791979  0.59726880  0.39096579
   0.58817003  0.91058509  0.14251634
   0.83500575  0.83938764  0.26680318
   0.64797635  0.65777217  0.47239216
   0.89840478  0.61714043  0.88046738
   0.64204075  0.93441273  0.63050396
   0.85841294  0.85700281  0.75081980
   0.08429410  0.06747743  0.15488528
   0.35982614  0.18130346  0.27456053
   0.13282867  0.33731703  0.03113236
   0.36197512  0.41925396  0.34292048
   0.54967472  0.36160484  0.21193321
   0.31044909  0.43493165  0.17091033
   0.23770448  0.11140711  0.43875936
  -0.01822124  0.19459486  0.40719822
   0.04114483  0.06619959  0.55766813
   0.47597009  0.26580220  0.78199766
   0.14882689  0.31580951  0.54407246
   0.37236877  0.47060144  0.86388469
   0.45385373  0.47553005  0.67839577
   0.22670701  0.36831461  0.72367369
   0.27746839  0.23310604 -0.10678805
   0.03994370  0.15380460  0.90926139
   0.14463031  0.59064522  0.07543524
   0.39558733  0.67104919  0.26152970
   0.11098156  0.84079220  0.03947075
   0.36858870  0.91776150  0.35234727
   0.42931219  0.89734524  0.16744601
   0.18511865  0.83820011  0.22563984
   0.33252070  0.65225965  0.43749250
   0.07274136  0.57992047  0.41354830
   0.20069802  0.57506987  0.58900607
   0.37763902  0.71834511  0.77201170
   0.10391231  0.80765153  0.50983066
   0.36539359  1.03107064  0.78568755
   0.47922808  0.92407165  0.63335499
   0.21340365  0.93033573  0.65852226
   0.30543543  0.69652937 -0.04220560
   0.06188996  0.65987066  0.89535543
   0.62407698  0.07161139  0.10625607
   0.85169317  0.17190542  0.24589861
   0.58253458  0.30481521  0.02378705
   0.86985534  0.43874254  0.37717757
   0.03294421  0.39165358  0.19041336
   0.78760431  0.40359139  0.14345526
   0.73385599  0.18033412  0.41920532
   0.48803615  0.12848213  0.45641071
   0.67213524  0.08174283  0.58948280
   0.84507771  0.20670800  0.78656632
   0.59843473  0.33579884  0.53662541
   0.86956110  0.46187945  0.85766345
   0.99515698  0.43560117  0.67353076
   0.71039094  0.38933133  0.69654347
   0.79005713  0.11452103  0.96275864
   0.51887402  0.08534560  0.93390968
   0.60133106  0.56759751  0.08594779
   0.87346760  0.69198093  0.30208315
   0.62121275  0.81473180  0.05333305
   0.84998403  0.95332567  0.34883751
   0.92333676  0.86212647  0.16714285
   0.67865462  0.87428566  0.23881431
   0.81732500  0.66533270  0.47349053
   0.58391374  0.58870554  0.38504983
   0.60848390  0.59425294  0.57145687
   0.83197676  0.71012641  0.78635346
   0.60463063  0.82316316  0.44859373
   0.94136356  0.94622184  0.83829858
   0.95199745  0.85775808  0.65222165
   0.71034990  0.92998072  0.73761577
   0.81461850  0.65542343  0.97418733
   0.56403758  0.64897449  0.91101943
   0.67842433  0.80261328  0.59252480
   0.52478628  0.81897456  0.41302589
   0.89972594  0.20808670  0.08040407
   0.90554429  0.36186375  0.41364347
   0.34540933  0.13640512  0.60724859
   0.34021600  0.82022921  0.77389194
   0.16479929  1.09007498  0.18951609
   0.23458108  1.10956432  0.03298343
   0.66190114  0.35089970  0.87415390
   0.94716070  0.36578246  0.64427440
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863058    0.166009   -0.025969
    -0.000000    9.856118    0.151984
    -0.000000    0.000000   14.065491
   Si   O    H 
    32    64    10
Direct configuration=  1768
   0.16764314  0.20199038 -0.02778364
   0.37902864  0.08539513  0.37364590
   0.15905828  0.43375510  0.11822988
   0.38867177  0.34424250  0.25001845
   0.10353546  0.17279694  0.48831707
   0.41188763  0.14725505  0.85406725
   0.14050424  0.42570124  0.62497252
   0.37593807  0.39688346  0.75938920
   0.14906366  0.69759455 -0.01255498
   0.41771519  0.57783805  0.35963687
   0.07675381  0.90185283  0.14397786
   0.34752850  0.83041763  0.25937112
   0.17857658  0.65509461  0.48787807
   0.39903788  0.62723682  0.87444774
   0.08640911  0.91327594  0.59416510
   0.35192233  1.01475567  0.67024649
   0.63034909  0.14216411  0.99955321
   0.85885681  0.12022299  0.35276102
   0.63046300  0.39726430  0.11098256
   0.89889616  0.28723316  0.16924209
   0.62605978  0.17517380  0.50237309
   0.89828086  0.09735701  0.87325521
   0.59222206  0.44346243  0.62034406
   0.77092758  0.34536774  0.80185468
   0.65571096  0.66986292  0.01012003
   0.91630312  0.59650803  0.39234123
   0.58910337  0.90973047  0.14264385
   0.83504185  0.84049785  0.26738086
   0.64755822  0.65869313  0.47290049
   0.89773265  0.61744188  0.87980575
   0.64168694  0.93616737  0.63114577
   0.85908405  0.85653805  0.75085172
   0.08426062  0.06813639  0.15579642
   0.35741342  0.18122459  0.27432177
   0.13090179  0.33726142  0.03144125
   0.36256992  0.42019421  0.34306952
   0.55072589  0.36360065  0.21326312
   0.31172110  0.43397803  0.17179223
   0.23683554  0.11052220  0.43778833
  -0.01827509  0.19467696  0.40742978
   0.04021115  0.06651689  0.55717220
   0.47584086  0.26586431  0.78273619
   0.14894028  0.31678130  0.54355555
   0.37013681  0.47047359  0.86310595
   0.45276960  0.47373159  0.67806891
   0.22911610  0.36967444  0.72321446
   0.27741894  0.23159337 -0.10871986
   0.04163410  0.15275067  0.90988257
   0.14581831  0.59150822  0.07645512
   0.39453896  0.67019346  0.26213049
   0.11147244  0.84076642  0.03942763
   0.36760407  0.91875776  0.35248888
   0.42886770  0.89721368  0.16740916
   0.18371730  0.84022637  0.22588833
   0.33128110  0.65344994  0.43833083
   0.07347032  0.58186251  0.41452285
   0.20083295  0.57416191  0.58922352
   0.37643249  0.71929156  0.77094660
   0.10407219  0.80699042  0.50915036
   0.36397675  1.02996879  0.78504115
   0.47784510  0.92427815  0.63296712
   0.21324615  0.93068146  0.65985033
   0.30574007  0.69656455 -0.04248265
   0.06120235  0.66070227  0.89450365
   0.62368494  0.07317971  0.10627968
   0.85302220  0.17058451  0.24570375
   0.58177853  0.30445456  0.02457292
   0.86891663  0.43709698  0.37740848
   0.03335786  0.39140062  0.19238565
   0.78629180  0.40407096  0.14230179
   0.73399008  0.17968238  0.41848727
   0.48945481  0.12774439  0.45653296
   0.67173097  0.08305358  0.58978676
   0.84498450  0.20763306  0.78695540
   0.59899490  0.33450536  0.53678056
   0.86944810  0.46239423  0.85677789
   0.99261777  0.43452412  0.67372161
   0.71080402  0.39118115  0.69637655
   0.79028077  0.11591775  0.96227121
   0.51800526  0.08634028  0.93429136
   0.60060497  0.56645342  0.08638398
   0.87419765  0.69315609  0.30216234
   0.62026262  0.81440105  0.05344235
   0.85026514  0.95267183  0.34939800
   0.92243078  0.86320295  0.16683284
   0.67862026  0.87514553  0.23883825
   0.81737028  0.66587671  0.47302226
   0.58627426  0.58890149  0.38411602
   0.60996642  0.59449421  0.57080465
   0.83426499  0.70959262  0.78657427
   0.60426239  0.82416842  0.44846663
   0.94068616  0.94531649  0.83890048
   0.95135508  0.85830154  0.65223214
   0.71100884  0.93011954  0.73657804
   0.81481057  0.65746948  0.97387326
   0.56373805  0.65148139  0.90992612
   0.67498341  0.80804340  0.58927580
   0.52060348  0.81541852  0.41089348
   0.89997297  0.20855580  0.08561131
   0.91234622  0.35739511  0.41687709
   0.34553287  0.14189941  0.61549004
   0.34732329  0.81089461  0.77671451
   0.16814329  1.08348419  0.19444071
   0.23392827  1.10430582  0.02984845
   0.66191151  0.34975160  0.87547818
   0.94733530  0.36772491  0.64439204
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863785    0.164278   -0.027444
    -0.000000    9.852575    0.156993
    -0.000000    0.000000   14.065092
   Si   O    H 
    32    64    10
Direct configuration=  1769
   0.17006798  0.20188498 -0.02786089
   0.37885157  0.08628901  0.37440266
   0.15946764  0.43456985  0.11928667
   0.38810707  0.34439313  0.25024675
   0.10293827  0.17329667  0.48739057
   0.41106660  0.14705125  0.85441457
   0.14094981  0.42505257  0.62320664
   0.37652384  0.39761470  0.75923324
   0.14909050  0.69711281 -0.01265674
   0.41832695  0.57691739  0.36049061
   0.07670359  0.90202639  0.14393655
   0.34807446  0.83062994  0.25905518
   0.17872466  0.65565567  0.48741111
   0.39944411  0.62730661  0.87466630
   0.08514797  0.91418341  0.59455943
   0.35095830  1.01400796  0.66957665
   0.63020756  0.14240020  0.99872617
   0.85961104  0.12029097  0.35334582
   0.63179719  0.39744187  0.11130793
   0.90017568  0.28713790  0.16893160
   0.62578103  0.17561930  0.50241277
   0.89776140  0.09889229  0.87384759
   0.59348804  0.44333197  0.62003042
   0.77173585  0.34663062  0.80133351
   0.65397251  0.67109623  0.01044089
   0.91437312  0.59553442  0.39414352
   0.58946311  0.90887255  0.14287862
   0.83553449  0.84096458  0.26787070
   0.64710192  0.65973531  0.47338345
   0.89760872  0.61782052  0.87888927
   0.64121213  0.93704433  0.63171768
   0.85964399  0.85622205  0.75068642
   0.08546358  0.06772271  0.15714401
   0.35584689  0.18117711  0.27416345
   0.12844704  0.33755980  0.03179876
   0.36297076  0.42235255  0.34435585
   0.55106122  0.36545047  0.21455345
   0.31236308  0.43330155  0.17195447
   0.23557962  0.10975372  0.43723996
  -0.01779683  0.19545852  0.40834546
   0.03921047  0.06622906  0.55710759
   0.47642429  0.26457569  0.78334333
   0.14865810  0.31743645  0.54292711
   0.36760936  0.47008466  0.86256127
   0.45237223  0.47271924  0.67729468
   0.23009557  0.37129316  0.72273812
   0.27816800  0.23011918 -0.11091622
   0.04333481  0.15162088  0.91042565
   0.14661329  0.59115201  0.07732091
   0.39363617  0.66980939  0.26242299
   0.11100300  0.84109571  0.03856638
   0.36652427  0.91998950  0.35331348
   0.42798272  0.89631336  0.16747631
   0.18272176  0.84214822  0.22622827
   0.32900778  0.65507548  0.43970733
   0.07436081  0.58364689  0.41584588
   0.20018621  0.57238755  0.58945265
   0.37541096  0.71903464  0.77030924
   0.10432079  0.80633858  0.50866781
   0.36324207  1.02868678  0.78407854
   0.47684590  0.92308195  0.63271600
   0.21371636  0.93021295  0.66178088
   0.30568384  0.69607108 -0.04292548
   0.05946879  0.66206078  0.89391581
   0.62327960  0.07384713  0.10614631
   0.85397018  0.16936741  0.24568556
   0.58071647  0.30352214  0.02545874
   0.86875892  0.43547753  0.37785124
   0.03293401  0.39044138  0.19376179
   0.78516977  0.40415608  0.14109875
   0.73402009  0.17885381  0.41802821
   0.49033961  0.12624509  0.45626619
   0.67155080  0.08416521  0.58948352
   0.84591967  0.20738194  0.78766032
   0.59969562  0.33236363  0.53766814
   0.86940782  0.46296368  0.85595895
   0.99087534  0.43425181  0.67418563
   0.71161106  0.39336047  0.69637781
   0.78950492  0.11689093  0.96196352
   0.51671207  0.08651232  0.93445173
   0.60047912  0.56499464  0.08669573
   0.87462732  0.69386230  0.30212600
   0.61892426  0.81436630  0.05382329
   0.85091728  0.95221843  0.35029679
   0.92137183  0.86460573  0.16652185
   0.67820839  0.87448030  0.23860598
   0.81692446  0.66672802  0.47275083
   0.58782555  0.58761987  0.38266704
   0.61059306  0.59317538  0.57066007
   0.83633365  0.70844669  0.78677833
   0.60415230  0.82518136  0.44841856
   0.93975936  0.94492820  0.83945447
   0.95083810  0.85828057  0.65248077
   0.71165357  0.93022255  0.73574184
   0.81456465  0.65911027  0.97386152
   0.56350999  0.65415246  0.90928819
   0.67464017  0.81287061  0.58502297
   0.51821637  0.82030535  0.41035868
   0.89989670  0.21001726  0.08719199
   0.91326751  0.36435282  0.41595022
   0.34487512  0.14682312  0.62276888
   0.35231451  0.80872127  0.78060359
   0.16813104  1.07851267  0.19854907
   0.23402813  1.09917337  0.02736406
   0.66364779  0.34905165  0.87389467
   0.93534416  0.35863022  0.63741727
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865007    0.162963   -0.028963
    -0.000000    9.848803    0.161392
    -0.000000    0.000000   14.064369
   Si   O    H 
    32    64    10
Direct configuration=  1770
   0.17265031  0.20165898 -0.02748729
   0.37860947  0.08715033  0.37496743
   0.15943913  0.43540591  0.12048995
   0.38809636  0.34398670  0.25022852
   0.10298295  0.17443933  0.48666926
   0.40991462  0.14661481  0.85417275
   0.14183463  0.42470577  0.62195841
   0.37736134  0.39777562  0.75928053
   0.14906713  0.69669762 -0.01212872
   0.41859437  0.57647014  0.36065200
   0.07648655  0.90189185  0.14395849
   0.34775574  0.83030947  0.25891094
   0.17851154  0.65599238  0.48672483
   0.40002627  0.62794205  0.87491006
   0.08401950  0.91500250  0.59531994
   0.34932155  1.01342653  0.66869804
   0.63112320  0.14252859  0.99831456
   0.86067789  0.12059214  0.35405569
   0.63252107  0.39792933  0.11205757
   0.90164321  0.28723009  0.16869480
   0.62598674  0.17619194  0.50273504
   0.89736619  0.10018993  0.87434683
   0.59443880  0.44330893  0.61949498
   0.77233605  0.34881367  0.80081920
   0.65238735  0.67231254  0.00993059
   0.91226429  0.59431338  0.39543363
   0.58927573  0.90845318  0.14284588
   0.83558435  0.84177770  0.26814765
   0.64646084  0.66127346  0.47345920
   0.89761421  0.61831584  0.87770948
   0.64134719  0.93732964  0.63246320
   0.86055222  0.85599383  0.75041145
   0.08721595  0.06735730  0.15865167
   0.35384504  0.18026470  0.27384111
   0.12608062  0.33760321  0.03280408
   0.36371216  0.42486021  0.34581866
   0.55182318  0.36693023  0.21528835
   0.31239341  0.43322211  0.17189702
   0.23468111  0.10832141  0.43702508
  -0.01713856  0.19611634  0.40899711
   0.03829962  0.06581736  0.55667981
   0.47591659  0.26209617  0.78401530
   0.14872677  0.31652231  0.54180968
   0.36566992  0.46888871  0.86239970
   0.45283910  0.47220730  0.67658342
   0.23023650  0.37140229  0.72097626
   0.27885517  0.22891403 -0.11282747
   0.04438087  0.15038450  0.91056838
   0.14788466  0.59160219  0.07833562
   0.39307976  0.66974650  0.26287630
   0.11036563  0.84245030  0.03760337
   0.36545398  0.92136196  0.35369737
   0.42745449  0.89546620  0.16772887
   0.18235219  0.84343229  0.22660642
   0.32628202  0.65627353  0.44155423
   0.07537994  0.58395799  0.41672472
   0.19997872  0.56976606  0.58932093
   0.37434608  0.71739794  0.76993406
   0.10531901  0.80543482  0.50816052
   0.36254515  1.02885198  0.78360498
   0.47579136  0.92165875  0.63262542
   0.21379633  0.92981747  0.66313559
   0.30567453  0.69595827 -0.04372690
   0.05656872  0.66245741  0.89321802
   0.62324911  0.07361790  0.10632884
   0.85544102  0.16874648  0.24589594
   0.58027267  0.30194078  0.02632991
   0.86858131  0.43370010  0.37807013
   0.03234327  0.38961104  0.19429285
   0.78351614  0.40383733  0.14047574
   0.73463631  0.17845396  0.41770055
   0.49188139  0.12430504  0.45535277
   0.67190516  0.08537876  0.58970357
   0.84697983  0.20689462  0.78870656
   0.60064867  0.33011903  0.53842123
   0.86883168  0.46363354  0.85474096
   0.98904520  0.43369191  0.67382820
   0.71158737  0.39653640  0.69613487
   0.78838646  0.11793164  0.96123964
   0.51380224  0.08655158  0.93453860
   0.60080203  0.56273893  0.08720747
   0.87548871  0.69349151  0.30276060
   0.61779201  0.81442470  0.05402085
   0.85147550  0.95225747  0.35124196
   0.92072274  0.86626896  0.16633886
   0.67764195  0.87330863  0.23836204
   0.81606073  0.66706059  0.47296898
   0.58875232  0.58610183  0.38153199
   0.61066485  0.59228862  0.57159161
   0.83835890  0.70723176  0.78691241
   0.60328392  0.82553203  0.44764043
   0.93783072  0.94458971  0.83986145
   0.95003522  0.85829415  0.65277595
   0.71222268  0.92986809  0.73508983
   0.81403710  0.66099455  0.97455713
   0.56259068  0.65646680  0.90857258
   0.67740416  0.81660007  0.58141976
   0.52201335  0.82848433  0.41169552
   0.90564182  0.20902022  0.08387882
   0.91249030  0.37162418  0.41299288
   0.34725678  0.15258334  0.62853620
   0.35201220  0.81984984  0.78613723
   0.16463695  1.07380401  0.20089044
   0.23379337  1.09177798  0.02464083
   0.66716652  0.34560312  0.87078714
   0.92813944  0.36304312  0.63495982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866259    0.161466   -0.030867
    -0.000000    9.844990    0.165777
    -0.000000    0.000000   14.063626
   Si   O    H 
    32    64    10
Direct configuration=  1771
   0.17447748  0.20149710 -0.02721389
   0.37812657  0.08794162  0.37592253
   0.15884283  0.43561273  0.12119007
   0.38927645  0.34337163  0.25015088
   0.10340745  0.17551950  0.48573602
   0.40884456  0.14618520  0.85412141
   0.14250488  0.42476808  0.62141208
   0.37893111  0.39788006  0.75926979
   0.14918306  0.69627417 -0.01156111
   0.41852168  0.57615068  0.36091048
   0.07696910  0.90093025  0.14405537
   0.34713991  0.82990978  0.25830805
   0.17817798  0.65614940  0.48607400
   0.40061877  0.62912186  0.87470611
   0.08269501  0.91604124  0.59587298
   0.34828147  1.01297032  0.66776158
   0.63258054  0.14243942  0.99827185
   0.86141743  0.12078773  0.35494617
   0.63185659  0.39790662  0.11298993
   0.90293555  0.28775071  0.16838121
   0.62571368  0.17733075  0.50266617
   0.89753362  0.10098416  0.87477416
   0.59559601  0.44349441  0.61893466
   0.77297987  0.35074463  0.80031941
   0.65094579  0.67284729  0.00876315
   0.91094831  0.59381322  0.39594685
   0.58947282  0.90886777  0.14315427
   0.83628167  0.84249789  0.26867995
   0.64598035  0.66324439  0.47331622
   0.89801246  0.61912145  0.87631414
   0.64166504  0.93746783  0.63293774
   0.86191041  0.85596029  0.75031128
   0.08920814  0.06710540  0.15970608
   0.35215649  0.17978897  0.27364279
   0.12383645  0.33797667  0.03365353
   0.36426416  0.42741604  0.34689722
   0.55278522  0.36859436  0.21528660
   0.30997503  0.43274492  0.17070106
   0.23367649  0.10755354  0.43637371
  -0.01628288  0.19703801  0.40940391
   0.03756525  0.06585994  0.55688755
   0.47585510  0.25915175  0.78467717
   0.14879535  0.31446557  0.53995207
   0.36455063  0.46855893  0.86246634
   0.45273182  0.47130265  0.67563669
   0.22913535  0.37188376  0.71929383
   0.27927229  0.22849618 -0.11444448
   0.04600024  0.14935447  0.91078231
   0.14853695  0.59225852  0.07881581
   0.39293125  0.66909160  0.26367963
   0.11015537  0.84451570  0.03671758
   0.36496253  0.92320096  0.35418836
   0.42657803  0.89593462  0.16787193
   0.18262770  0.84408209  0.22762058
   0.32427550  0.65675517  0.44328740
   0.07576260  0.58492808  0.41719704
   0.19964276  0.56769823  0.58916802
   0.37269066  0.71657151  0.77016944
   0.10609651  0.80458945  0.50812833
   0.36124344  1.02879437  0.78293469
   0.47421490  0.92069846  0.63226929
   0.21392816  0.92872836  0.66456783
   0.30568563  0.69610312 -0.04448477
   0.05447748  0.66333905  0.89256963
   0.62354013  0.07279371  0.10640095
   0.85727435  0.16881095  0.24628043
   0.58043140  0.30111902  0.02629143
   0.86838132  0.43385703  0.37839110
   0.03125854  0.38897935  0.19514542
   0.78262268  0.40277290  0.14008367
   0.73483217  0.17819709  0.41769942
   0.49273517  0.12226201  0.45445962
   0.67248975  0.08624128  0.59029827
   0.84776500  0.20604757  0.78916289
   0.60248523  0.32768601  0.53939744
   0.86866123  0.46466866  0.85318517
   0.98756286  0.43155030  0.67273715
   0.71129889  0.39976004  0.69599014
   0.78688772  0.11904874  0.96083413
   0.51098941  0.08559017  0.93439074
   0.60108618  0.56043877  0.08714932
   0.87620824  0.69319544  0.30340541
   0.61595068  0.81438430  0.05416991
   0.85253781  0.95277056  0.35251306
   0.91894862  0.86765570  0.16611620
   0.67679812  0.87145528  0.23848538
   0.81499543  0.66762590  0.47325480
   0.58891211  0.58432933  0.38005115
   0.61056497  0.59073353  0.57258659
   0.84001241  0.70569461  0.78744932
   0.60250375  0.82510849  0.44682139
   0.93556086  0.94395165  0.84019033
   0.95056492  0.85837900  0.65273759
   0.71274763  0.93032166  0.73491941
   0.81249285  0.66310895  0.97484601
   0.56068747  0.65825333  0.90786503
   0.68329239  0.81672218  0.57988830
   0.51805163  0.83652674  0.41011189
   0.91490424  0.20985803  0.07636872
   0.92381272  0.36254872  0.41843249
   0.35048999  0.15597037  0.63032571
   0.35762455  0.81550624  0.79018721
   0.16467575  1.07076347  0.20047680
   0.23617288  1.08151242  0.02482082
   0.66714640  0.34129522  0.86647454
   0.92600455  0.37863569  0.63847273
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867974    0.159899   -0.032567
    -0.000000    9.841677    0.169692
    -0.000000    0.000000   14.063204
   Si   O    H 
    32    64    10
Direct configuration=  1772
   0.17621261  0.20122823 -0.02729889
   0.37767099  0.08841439  0.37650581
   0.15816586  0.43572535  0.12191748
   0.39066947  0.34305962  0.24969688
   0.10449847  0.17686442  0.48516937
   0.40791556  0.14596307  0.85396596
   0.14273411  0.42416842  0.62155867
   0.38029589  0.39724218  0.75885146
   0.14873306  0.69556927 -0.01101535
   0.41856341  0.57701082  0.36080436
   0.07783737  0.90014044  0.14387868
   0.34660942  0.82988214  0.25699751
   0.17749014  0.65615051  0.48553310
   0.40084871  0.63028982  0.87445708
   0.08231846  0.91614676  0.59639659
   0.34760762  1.01262730  0.66687717
   0.63387112  0.14238831  0.99812032
   0.86232696  0.12073822  0.35572805
   0.63057006  0.39807451  0.11393021
   0.90403916  0.28855547  0.16803756
   0.62603983  0.17840784  0.50277095
   0.89803869  0.10180916  0.87533469
   0.59652048  0.44376201  0.61852502
   0.77359117  0.35340662  0.79995292
   0.65021542  0.67339590  0.00764284
   0.90991413  0.59327281  0.39647441
   0.58953063  0.90983631  0.14366952
   0.83727159  0.84295366  0.26926435
   0.64560524  0.66528157  0.47295369
   0.89804690  0.61980449  0.87529061
   0.64121551  0.93763829  0.63339102
   0.86313485  0.85644655  0.75053441
   0.09044289  0.06615739  0.16028790
   0.35121772  0.17999015  0.27344196
   0.12275199  0.33811240  0.03426025
   0.36449062  0.42999407  0.34737821
   0.55289366  0.36983508  0.21543628
   0.30761595  0.43188706  0.16948596
   0.23317056  0.10707847  0.43575048
  -0.01536440  0.19777097  0.40998115
   0.03704730  0.06547388  0.55740910
   0.47561967  0.25655572  0.78548417
   0.14866600  0.31204163  0.53775359
   0.36391046  0.46828890  0.86287865
   0.45284803  0.47111241  0.67406375
   0.22707549  0.37204110  0.71743636
   0.27941728  0.22787902 -0.11590045
   0.04730899  0.14801166  0.91111384
   0.14857191  0.59342337  0.07872795
   0.39276147  0.66924415  0.26438628
   0.11035076  0.84602993  0.03536270
   0.36453959  0.92412961  0.35483450
   0.42576027  0.89652445  0.16835358
   0.18298212  0.84346746  0.22885855
   0.32294393  0.65724577  0.44440028
   0.07588815  0.58486800  0.41741850
   0.19946912  0.56601571  0.58879919
   0.37162616  0.71660130  0.77070116
   0.10784335  0.80408963  0.50812450
   0.36026255  1.02836018  0.78220163
   0.47271041  0.91963025  0.63201719
   0.21430066  0.92773249  0.66565908
   0.30582834  0.69689311 -0.04544136
   0.05255703  0.66339369  0.89203001
   0.62423453  0.07119515  0.10701720
   0.85922094  0.16939494  0.24666159
   0.58021775  0.30001947  0.02614940
   0.86805173  0.43478463  0.37902169
   0.03096701  0.38801977  0.19581809
   0.78208986  0.40150776  0.14010354
   0.73450581  0.17815681  0.41753382
   0.49222496  0.12091212  0.45383311
   0.67263561  0.08697389  0.59084630
   0.84860436  0.20403250  0.79002088
   0.60484986  0.32494541  0.54067234
   0.86796534  0.46565429  0.85164145
   0.98619789  0.42957851  0.67179052
   0.71107093  0.40216013  0.69567944
   0.78601534  0.12031284  0.95997091
   0.50912334  0.08488016  0.93441800
   0.60046164  0.55766686  0.08642672
   0.87721538  0.69264034  0.30402309
   0.61373215  0.81455552  0.05399599
   0.85446042  0.95288870  0.35400509
   0.91773491  0.86916839  0.16601467
   0.67578444  0.87062171  0.23852274
   0.81421922  0.66759266  0.47328748
   0.58847497  0.58264539  0.37873153
   0.61109367  0.58867188  0.57327990
   0.84211337  0.70507379  0.78767762
   0.60151896  0.82470281  0.44583549
   0.93317084  0.94298246  0.83978173
   0.95118997  0.85789095  0.65274258
   0.71279114  0.93098149  0.73497154
   0.81127114  0.66469460  0.97522176
   0.55930683  0.65952355  0.90669699
   0.69395308  0.81954398  0.58088103
   0.51609593  0.84357068  0.40742109
   0.92455736  0.21250587  0.07178689
   0.93355336  0.36120827  0.41968508
   0.35601534  0.15777188  0.62691025
   0.36393149  0.80487366  0.79478638
   0.17220963  1.07072765  0.20254941
   0.23742890  1.07905638  0.02359511
   0.66289670  0.33949316  0.86285865
   0.91696144  0.39193886  0.64283856
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869759    0.158274   -0.033973
    -0.000000    9.838096    0.173742
    -0.000000    0.000000   14.062802
   Si   O    H 
    32    64    10
Direct configuration=  1773
   0.17775845  0.20136707 -0.02715637
   0.37682512  0.08843994  0.37751913
   0.15828308  0.43615690  0.12281456
   0.39219764  0.34245927  0.24928787
   0.10534845  0.17799965  0.48473957
   0.40672878  0.14497473  0.85350969
   0.14273262  0.42375727  0.62210104
   0.38119149  0.39656477  0.75861021
   0.14793537  0.69515325 -0.01053947
   0.41895330  0.57833918  0.36076709
   0.07821311  0.89887410  0.14386055
   0.34560682  0.82983953  0.25574681
   0.17657267  0.65598007  0.48501392
   0.40180848  0.63187135  0.87401723
   0.08134624  0.91576909  0.59669392
   0.34689873  1.01194636  0.66615614
   0.63478910  0.14220949  0.99810988
   0.86238292  0.12040499  0.35683390
   0.62941500  0.39842472  0.11483224
   0.90485000  0.28927735  0.16747752
   0.62636306  0.17898711  0.50281038
   0.89834427  0.10267104  0.87597583
   0.59797891  0.44338093  0.61800985
   0.77481533  0.35549714  0.79948006
   0.64965126  0.67323886  0.00656565
   0.90920703  0.59285273  0.39688294
   0.58886452  0.91102244  0.14429087
   0.83812965  0.84373013  0.26960426
   0.64483817  0.66744262  0.47281080
   0.89793674  0.61979378  0.87521755
   0.64131765  0.93818117  0.63337721
   0.86417554  0.85737407  0.75097098
   0.09215174  0.06548760  0.16060528
   0.35032971  0.18035280  0.27346241
   0.12258248  0.33719101  0.03441392
   0.36432230  0.43275408  0.34788766
   0.55213666  0.37021542  0.21564567
   0.30596062  0.43123899  0.16885126
   0.23283592  0.10596540  0.43501539
  -0.01450021  0.19849522  0.41036290
   0.03618516  0.06476638  0.55842439
   0.47539146  0.25380805  0.78635483
   0.14864944  0.31020072  0.53557712
   0.36344051  0.46824971  0.86271244
   0.45315715  0.47127167  0.67220908
   0.22445185  0.37253768  0.71521679
   0.27883467  0.22794916 -0.11735550
   0.04877367  0.14626414  0.91173818
   0.14895434  0.59355895  0.07857845
   0.39261710  0.66877822  0.26535382
   0.11062864  0.84702920  0.03442097
   0.36517901  0.92495263  0.35557076
   0.42516266  0.89667095  0.16912690
   0.18318871  0.84235500  0.22940778
   0.32201063  0.65787434  0.44527177
   0.07507071  0.58490846  0.41682267
   0.19977560  0.56529721  0.58833892
   0.37039258  0.71554426  0.77131725
   0.11009357  0.80406413  0.50816014
   0.35979734  1.02805326  0.78173144
   0.47235606  0.91865344  0.63200208
   0.21380763  0.92721938  0.66639028
   0.30588408  0.69779732 -0.04547833
   0.05147137  0.66386728  0.89168872
   0.62437180  0.06980565  0.10781909
   0.86093150  0.17013641  0.24690865
   0.58086480  0.29907590  0.02544078
   0.86855969  0.43555722  0.37978280
   0.03064556  0.38810487  0.19610794
   0.78300373  0.40000990  0.14101914
   0.73415401  0.17818324  0.41713924
   0.49201815  0.11987436  0.45270090
   0.67333769  0.08725299  0.59103996
   0.84993008  0.20289657  0.79040957
   0.60617963  0.32230146  0.54199854
   0.86739626  0.46634459  0.84997087
   0.98698345  0.42868350  0.67135184
   0.71009651  0.40424657  0.69505644
   0.78534644  0.12215816  0.95971488
   0.50760586  0.08345097  0.93433631
   0.59928459  0.55502075  0.08542638
   0.87845289  0.69216815  0.30427916
   0.61270124  0.81466387  0.05461621
   0.85725060  0.95351428  0.35540290
   0.91621369  0.87109787  0.16573008
   0.67513579  0.86910520  0.23867150
   0.81401292  0.66762812  0.47282597
   0.58819208  0.58068000  0.37781140
   0.61109151  0.58721866  0.57350839
   0.84301833  0.70478110  0.78719314
   0.60037669  0.82392365  0.44467686
   0.93047848  0.94222305  0.83927577
   0.95190210  0.85822825  0.65268047
   0.71280183  0.93154647  0.73486781
   0.81025153  0.66680269  0.97519704
   0.55757328  0.66014073  0.90546984
   0.70189402  0.82399788  0.58316110
   0.51993051  0.84860790  0.40489811
   0.92974849  0.21940826  0.07158778
   0.93337109  0.37066025  0.41428555
   0.35851221  0.15589194  0.62196267
   0.36994821  0.80467931  0.79757607
   0.17252269  1.07404528  0.20176441
   0.23685640  1.08087515  0.02349825
   0.65740663  0.33528170  0.85995148
   0.89198592  0.39746067  0.63794939
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871866    0.156984   -0.035135
    -0.000000    9.834696    0.177776
    -0.000000    0.000000   14.062297
   Si   O    H 
    32    64    10
Direct configuration=  1774
   0.17903559  0.20183926 -0.02691404
   0.37570343  0.08867537  0.37855560
   0.15851361  0.43672021  0.12369645
   0.39380149  0.34185914  0.24927160
   0.10609405  0.17881355  0.48462257
   0.40526503  0.14420882  0.85307880
   0.14251169  0.42315267  0.62247136
   0.38153295  0.39574067  0.75866123
   0.14736550  0.69515008 -0.01044873
   0.42004027  0.58011424  0.36105990
   0.07830608  0.89809661  0.14399824
   0.34377789  0.82936057  0.25486934
   0.17621935  0.65625868  0.48542574
   0.40277729  0.63281078  0.87407661
   0.08009115  0.91571159  0.59737956
   0.34668123  1.01173481  0.66546597
   0.63522045  0.14245956  0.99777474
   0.86242115  0.12035926  0.35765382
   0.62851486  0.39938466  0.11585815
   0.90640432  0.28977706  0.16673019
   0.62633883  0.17980246  0.50235454
   0.89907251  0.10344842  0.87632859
   0.59902602  0.44277126  0.61752520
   0.77552360  0.35715157  0.79920645
   0.64887574  0.67267562  0.00525368
   0.90837635  0.59233385  0.39747801
   0.58841758  0.91223808  0.14459215
   0.83830992  0.84466875  0.26955878
   0.64446940  0.66940970  0.47255797
   0.89815279  0.61932097  0.87521154
   0.64173887  0.93853370  0.63347267
   0.86495241  0.85857458  0.75155765
   0.09403923  0.06405704  0.16107436
   0.35030438  0.18024139  0.27267272
   0.12314024  0.33625885  0.03392163
   0.36363801  0.43375924  0.34904081
   0.55181517  0.37029064  0.21592440
   0.30488497  0.43009628  0.16837208
   0.23203727  0.10451562  0.43433464
  -0.01376775  0.20017479  0.41023727
   0.03578132  0.06364475  0.55941902
   0.47510223  0.25171628  0.78688118
   0.14888339  0.30881186  0.53352787
   0.36309342  0.46816574  0.86236222
   0.45360462  0.47135091  0.67105320
   0.22208262  0.37275450  0.71345097
   0.27787554  0.22802611 -0.11854446
   0.04965017  0.14448441  0.91227128
   0.14905138  0.59406005  0.07866278
   0.39195999  0.66863875  0.26594873
   0.10994367  0.84747002  0.03342123
   0.36528695  0.92492176  0.35589482
   0.42499643  0.89702628  0.16947101
   0.18300313  0.84163969  0.22909970
   0.32300767  0.65806164  0.44624006
   0.07392608  0.58481339  0.41632834
   0.20000195  0.56537658  0.58755042
   0.36929808  0.71456926  0.77249296
   0.11272092  0.80428348  0.50810162
   0.35980329  1.02749661  0.78171325
   0.47255616  0.91809769  0.63215831
   0.21268768  0.92644245  0.66669902
   0.30600475  0.69904985 -0.04529138
   0.05109775  0.66362474  0.89196452
   0.62363988  0.06738323  0.10882509
   0.86215074  0.17040642  0.24707922
   0.58208026  0.29769809  0.02436168
   0.86897193  0.43621332  0.38043037
   0.03131143  0.38865257  0.19613626
   0.78505324  0.39906708  0.14187877
   0.73425711  0.17783092  0.41672757
   0.49163291  0.11946684  0.45122153
   0.67377104  0.08832277  0.59162004
   0.85072662  0.20203709  0.79081178
   0.60715061  0.32043565  0.54236911
   0.86672938  0.46683174  0.84827140
   0.98677993  0.42713836  0.67040958
   0.70973756  0.40599985  0.69462761
   0.78511080  0.12348119  0.95942926
   0.50598567  0.08252152  0.93434205
   0.59830825  0.55269240  0.08454350
   0.88004176  0.69158395  0.30451235
   0.61182423  0.81505392  0.05510844
   0.86052749  0.95451646  0.35638815
   0.91453869  0.87292033  0.16533094
   0.67494768  0.86800198  0.23853767
   0.81399637  0.66752907  0.47208739
   0.58844797  0.57830481  0.37756785
   0.61134364  0.58647850  0.57351650
   0.84422431  0.70477397  0.78659389
   0.59890845  0.82303117  0.44364867
   0.92816001  0.94167508  0.83814310
   0.95229772  0.85813583  0.65261453
   0.71252994  0.93268698  0.73543670
   0.80997161  0.66810628  0.97586445
   0.55597626  0.66130757  0.90430613
   0.71113405  0.82565968  0.58464437
   0.52461478  0.84703674  0.40575850
   0.93442725  0.22691981  0.07451088
   0.93311051  0.38126742  0.40664905
   0.35922219  0.15003417  0.61761084
   0.37582557  0.80869753  0.80159092
   0.17137535  1.07697657  0.19628504
   0.23652881  1.08834991  0.02434147
   0.64931450  0.33099721  0.85909554
   0.88219893  0.40533959  0.63610850
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873789    0.155426   -0.036396
    -0.000000    9.830997    0.181374
    -0.000000    0.000000   14.061635
   Si   O    H 
    32    64    10
Direct configuration=  1775
   0.17966612  0.20202115 -0.02703908
   0.37362936  0.08912381  0.37954974
   0.15857124  0.43695723  0.12428779
   0.39546819  0.34161376  0.24965119
   0.10606171  0.17915219  0.48484832
   0.40379219  0.14328106  0.85269441
   0.14256439  0.42258313  0.62279366
   0.38215512  0.39445899  0.75849258
   0.14684897  0.69514014 -0.01107668
   0.42107979  0.58198988  0.36130324
   0.07805204  0.89683876  0.14420074
   0.34146278  0.82884683  0.25458388
   0.17541451  0.65618288  0.48613983
   0.40308176  0.63368848  0.87419377
   0.07866526  0.91588860  0.59809243
   0.34640795  1.01176455  0.66553380
   0.63507282  0.14213894  0.99816093
   0.86265836  0.12083696  0.35865143
   0.62782300  0.40039603  0.11711597
   0.90823859  0.29013568  0.16635243
   0.62586835  0.17975998  0.50177006
   0.90032047  0.10422915  0.87673440
   0.59937857  0.44243458  0.61704934
   0.77542214  0.35808470  0.79887572
   0.64787270  0.67196843  0.00427580
   0.90731155  0.59206267  0.39796813
   0.58876310  0.91334072  0.14474287
   0.83833277  0.84633395  0.26993341
   0.64392160  0.67029556  0.47207320
   0.89782646  0.61907740  0.87505649
   0.64189739  0.93879206  0.63372687
   0.86568878  0.85929217  0.75219815
   0.09499395  0.06286030  0.16108167
   0.35047421  0.17960326  0.27214385
   0.12408012  0.33482145  0.03275811
   0.36303703  0.43377746  0.34959981
   0.55151795  0.36972237  0.21691958
   0.30371784  0.42865284  0.16842776
   0.23221732  0.10325290  0.43355980
  -0.01270294  0.20227001  0.40896981
   0.03550342  0.06236908  0.56006207
   0.47516157  0.25077255  0.78646690
   0.14864121  0.30864958  0.53233273
   0.36341568  0.46960773  0.86178274
   0.45357275  0.47052275  0.67046072
   0.22096208  0.37242771  0.71262591
   0.27657324  0.22857936 -0.11930566
   0.05027091  0.14282409  0.91265905
   0.14942927  0.59442205  0.07906953
   0.39157800  0.66874920  0.26646261
   0.10875082  0.84807783  0.03262256
   0.36588801  0.92443880  0.35601077
   0.42501766  0.89787520  0.16900788
   0.18294555  0.84076424  0.22917469
   0.32477560  0.65788809  0.44711281
   0.07377509  0.58378638  0.41628307
   0.19979344  0.56659889  0.58605194
   0.36881340  0.71375298  0.77357920
   0.11590836  0.80524262  0.50815787
   0.35956370  1.02683907  0.78163489
   0.47174162  0.91769187  0.63226941
   0.21216195  0.92519160  0.66672594
   0.30632767  0.70000879 -0.04549501
   0.05093698  0.66250492  0.89312622
   0.62261856  0.06574688  0.10936430
   0.86325110  0.17050075  0.24733333
   0.58336982  0.29672203  0.02404817
   0.86872893  0.43807531  0.38068885
   0.03191617  0.38910469  0.19637335
   0.78738587  0.39801386  0.14292708
   0.73355284  0.17650314  0.41588934
   0.49114512  0.11878669  0.45031902
   0.67447068  0.08881475  0.59208325
   0.85100299  0.20109430  0.79115087
   0.60808763  0.31988519  0.54264684
   0.86694741  0.46688151  0.84746123
   0.98546414  0.42542830  0.66982772
   0.71063892  0.40776887  0.69389746
   0.78464865  0.12503839  0.95903288
   0.50559001  0.08142653  0.93419991
   0.59779632  0.55044462  0.08279754
   0.88157397  0.69133202  0.30509347
   0.61063726  0.81498786  0.05580550
   0.86509259  0.95532270  0.35718571
   0.91310501  0.87439096  0.16495198
   0.67516778  0.86752467  0.23803261
   0.81352268  0.66791665  0.47184697
   0.58931858  0.57592926  0.37770186
   0.61113016  0.58674943  0.57294632
   0.84476575  0.70653777  0.78539018
   0.59747875  0.82227850  0.44248050
   0.92600895  0.94227530  0.83682981
   0.95205118  0.85776515  0.65288554
   0.71283705  0.93343615  0.73654040
   0.80878038  0.66842246  0.97633625
   0.55581299  0.66182613  0.90308006
   0.71798323  0.82886834  0.58475710
   0.52153791  0.84555643  0.40397501
   0.93621651  0.23290099  0.07686138
   0.94772688  0.37265629  0.40383067
   0.35640730  0.14108777  0.61667652
   0.37766826  0.80463411  0.79801365
   0.18037748  1.08111312  0.19526897
   0.24103057  1.09388400  0.02865356
   0.64295458  0.32913989  0.85847449
   0.88983018  0.41505529  0.64015342
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875847    0.153994   -0.037671
    -0.000000    9.827081    0.184214
    -0.000000    0.000000   14.060968
   Si   O    H 
    32    64    10
Direct configuration=  1776
   0.18017228  0.20200808 -0.02755882
   0.37140531  0.08892435  0.38010815
   0.15761591  0.43692611  0.12431744
   0.39665436  0.34201863  0.24991594
   0.10557599  0.17901524  0.48498152
   0.40295137  0.14196304  0.85265272
   0.14196422  0.42196570  0.62263028
   0.38253375  0.39258502  0.75809285
   0.14621221  0.69506268 -0.01168040
   0.42181321  0.58371121  0.36159625
   0.07755421  0.89623280  0.14449273
   0.33912463  0.82888224  0.25433541
   0.17475565  0.65602684  0.48687251
   0.40314610  0.63458427  0.87437534
   0.07737919  0.91589625  0.59859541
   0.34599908  1.01138244  0.66569676
   0.63467646  0.14214254  0.99873119
   0.86317035  0.12116860  0.36009045
   0.62700668  0.40126037  0.11814792
   0.91000941  0.29085263  0.16599055
   0.62571209  0.17940104  0.50130955
   0.90158543  0.10431536  0.87772409
   0.59911910  0.44187142  0.61665472
   0.77487105  0.35865627  0.79831743
   0.64663662  0.67118664  0.00374771
   0.90591344  0.59201991  0.39833251
   0.58890432  0.91433862  0.14531791
   0.83829197  0.84728839  0.27051583
   0.64389307  0.67048230  0.47156693
   0.89725920  0.61932084  0.87492982
   0.64207000  0.93916179  0.63402347
   0.86612376  0.86013109  0.75299706
   0.09583933  0.06174328  0.16114036
   0.35100003  0.17881376  0.27189657
   0.12565082  0.33377121  0.03160935
   0.36227116  0.43240192  0.34987493
   0.54998632  0.36828678  0.21778141
   0.30374783  0.42701817  0.16895989
   0.23237938  0.10222390  0.43269583
  -0.01249361  0.20373629  0.40776946
   0.03555739  0.06157709  0.56046223
   0.47481965  0.25049848  0.78577952
   0.14831539  0.30987878  0.53164674
   0.36407842  0.47129703  0.86124035
   0.45339595  0.46902643  0.66930754
   0.22042226  0.37182808  0.71220032
   0.27608000  0.22948662 -0.11937460
   0.05051692  0.14151182  0.91274448
   0.14910465  0.59340119  0.07969692
   0.39109784  0.66900624  0.26698045
   0.10802198  0.84777766  0.03203210
   0.36730950  0.92388637  0.35591455
   0.42557229  0.89791740  0.16882851
   0.18216460  0.83972804  0.22866729
   0.32693993  0.65778861  0.44815842
   0.07286174  0.58316763  0.41599699
   0.19975696  0.56806457  0.58478928
   0.36873991  0.71294959  0.77481574
   0.11805612  0.80711249  0.50848495
   0.35918127  1.02569260  0.78203624
   0.47188401  0.91739046  0.63286781
   0.21096056  0.92342795  0.66704733
   0.30630809  0.70117706 -0.04553860
   0.05148930  0.66150014  0.89419801
   0.62146225  0.06480748  0.10884127
   0.86306067  0.17023934  0.24752711
   0.58481455  0.29708050  0.02352342
   0.86875225  0.43874482  0.38130247
   0.03246082  0.39041458  0.19617536
   0.78902383  0.39735662  0.14352700
   0.73238502  0.17506338  0.41495392
   0.49079977  0.11830163  0.44923010
   0.67549997  0.08976642  0.59167811
   0.85066592  0.20104938  0.79106331
   0.60960575  0.32041215  0.54297867
   0.86755298  0.46679509  0.84645028
   0.98367679  0.42413964  0.66923990
   0.71155855  0.40930135  0.69379175
   0.78523931  0.12640501  0.95870411
   0.50509699  0.08137191  0.93437598
   0.59699637  0.54926067  0.08063400
   0.88353921  0.69073745  0.30502023
   0.60988999  0.81517152  0.05672671
   0.86914289  0.95631345  0.35807309
   0.91274390  0.87582680  0.16407556
   0.67563887  0.86692342  0.23778311
   0.81389349  0.66779162  0.47245476
   0.58973545  0.57464984  0.37813986
   0.61151513  0.58770566  0.57212730
   0.84491422  0.70835464  0.78385724
   0.59600294  0.82147455  0.44195325
   0.92391487  0.94377638  0.83611771
   0.95243582  0.85724532  0.65357786
   0.71407174  0.93452983  0.73790208
   0.80774158  0.66818597  0.97633838
   0.55630063  0.66165999  0.90234247
   0.72526391  0.83307570  0.58676582
   0.51409320  0.84456389  0.40124067
   0.93708512  0.23436475  0.07715128
   0.95444185  0.37091381  0.39850907
   0.35652108  0.13433904  0.61652145
   0.37684367  0.80311224  0.79153555
   0.18499266  1.08503494  0.19225737
   0.24558463  1.09780351  0.03065108
   0.64391686  0.32825686  0.85808590
   0.90755233  0.42510460  0.64483158
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878207    0.152726   -0.038715
    -0.000000    9.823288    0.186775
    -0.000000    0.000000   14.060606
   Si   O    H 
    32    64    10
Direct configuration=  1777
   0.18017006  0.20172250 -0.02847548
   0.36862016  0.08920714  0.38062838
   0.15658033  0.43738588  0.12414719
   0.39804647  0.34261619  0.25041805
   0.10510271  0.17782653  0.48520364
   0.40267752  0.14054929  0.85252369
   0.14071883  0.42144533  0.62268442
   0.38199734  0.39073273  0.75724354
   0.14570097  0.69476226 -0.01219497
   0.42233231  0.58481489  0.36192104
   0.07684086  0.89625494  0.14474179
   0.33724091  0.82900436  0.25437629
   0.17517441  0.65649438  0.48781628
   0.40231919  0.63489906  0.87480700
   0.07625693  0.91576896  0.59848616
   0.34667248  1.01078253  0.66600133
   0.63410398  0.14267465  0.99950273
   0.86431059  0.12116436  0.36132803
   0.62629700  0.40171440  0.11910188
   0.91157075  0.29097147  0.16596963
   0.62513084  0.17930766  0.50066165
   0.90270881  0.10421242  0.87787947
   0.59843691  0.44178524  0.61624546
   0.77381000  0.35872032  0.79796587
   0.64507572  0.67019502  0.00323774
   0.90491218  0.59168238  0.39865389
   0.58854290  0.91487091  0.14599118
   0.83841297  0.84772843  0.27105131
   0.64377660  0.67004694  0.47131000
   0.89660046  0.61958735  0.87494582
   0.64116091  0.93933250  0.63443765
   0.86615570  0.86094759  0.75350451
   0.09682931  0.06130167  0.16066579
   0.35128918  0.17899344  0.27254975
   0.12712131  0.33289286  0.03029017
   0.36162934  0.43057381  0.34936312
   0.54882039  0.36739538  0.21899518
   0.30483576  0.42546940  0.16935548
   0.23262537  0.10181056  0.43171432
  -0.01156213  0.20449041  0.40656237
   0.03568002  0.06180006  0.56017597
   0.47449681  0.25140705  0.78475242
   0.14883649  0.31228571  0.53156200
   0.36565139  0.47205743  0.86036332
   0.45316333  0.46772302  0.66847915
   0.22118010  0.37063791  0.71201645
   0.27604000  0.23072943 -0.11946055
   0.05105700  0.14038569  0.91352661
   0.14848472  0.59221070  0.08049092
   0.39086350  0.66964326  0.26736204
   0.10738480  0.84785349  0.03133312
   0.36840787  0.92246334  0.35599460
   0.42639667  0.89776164  0.16814352
   0.18076870  0.83826306  0.22797668
   0.32951310  0.65669252  0.44880455
   0.07136089  0.58196076  0.41639200
   0.19983991  0.56913229  0.58319949
   0.36881187  0.71145238  0.77584435
   0.12042784  0.80869047  0.50878683
   0.35846717  1.02375684  0.78228902
   0.47237008  0.91677489  0.63356628
   0.21041276  0.92210729  0.66676536
   0.30670738  0.70241064 -0.04529770
   0.05197485  0.66075055  0.89562278
   0.62036773  0.06420860  0.10820433
   0.86247714  0.17017487  0.24727395
   0.58607208  0.29798599  0.02354153
   0.86965306  0.43822929  0.38268546
   0.03288108  0.39141504  0.19572177
   0.79069938  0.39687177  0.14445408
   0.73080483  0.17411016  0.41409026
   0.49125207  0.11856495  0.44801211
   0.67720786  0.09051851  0.59155452
   0.85036011  0.20162487  0.79123674
   0.61012105  0.32251088  0.54324227
   0.86826424  0.46737107  0.84531857
   0.98448927  0.42239457  0.66926983
   0.71264424  0.41031934  0.69403444
   0.78596543  0.12761695  0.95838071
   0.50486562  0.08020478  0.93428845
   0.59615839  0.55009525  0.07825704
   0.88543732  0.69032241  0.30481184
   0.60973757  0.81481450  0.05682282
   0.87199921  0.95673394  0.35756958
   0.91301091  0.87662649  0.16369647
   0.67662258  0.86573182  0.23758510
   0.81411474  0.66765311  0.47316913
   0.59072431  0.57350147  0.37925286
   0.61247591  0.58875003  0.57115664
   0.84399688  0.70962163  0.78255226
   0.59416112  0.82104774  0.44121595
   0.92250575  0.94561006  0.83576402
   0.95206439  0.85667632  0.65405672
   0.71521402  0.93513209  0.73867130
   0.80684328  0.66776444  0.97589081
   0.55762462  0.66123968  0.90189471
   0.73103236  0.83224788  0.58681086
   0.51019182  0.84353692  0.40139671
   0.93793611  0.23152226  0.07416651
   0.95247201  0.37422378  0.39148420
   0.35268099  0.13783639  0.61389500
   0.37692159  0.81315448  0.78526324
   0.17781849  1.08602546  0.18930729
   0.24999904  1.10110565  0.03037166
   0.65110578  0.32585983  0.85313997
   0.88922375  0.43197105  0.63544534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880467    0.151804   -0.040296
    -0.000000    9.819602    0.189312
    -0.000000    0.000000   14.060304
   Si   O    H 
    32    64    10
Direct configuration=  1778
   0.17956188  0.20202307 -0.02907405
   0.36634069  0.08948393  0.38071721
   0.15556041  0.43735861  0.12345967
   0.39946107  0.34333732  0.25141044
   0.10465884  0.17566087  0.48560825
   0.40278263  0.13970752  0.85272666
   0.13916038  0.42152227  0.62249631
   0.38117045  0.38901791  0.75621320
   0.14534251  0.69451616 -0.01273840
   0.42296347  0.58542568  0.36240600
   0.07652430  0.89644955  0.14474082
   0.33613660  0.82914093  0.25457403
   0.17542263  0.65755269  0.48890561
   0.40089811  0.63535286  0.87528133
   0.07552883  0.91521983  0.59805809
   0.34792544  1.01020167  0.66610428
   0.63306698  0.14312570  1.00022064
   0.86504886  0.12089502  0.36227708
   0.62574459  0.40206725  0.11946092
   0.91267770  0.29126886  0.16603857
   0.62455511  0.17898921  0.49964038
   0.90429365  0.10342444  0.87806970
   0.59757425  0.44216967  0.61580428
   0.77279309  0.35777663  0.79745758
   0.64349628  0.66936575  0.00258529
   0.90492367  0.59081453  0.39856390
   0.58822145  0.91565396  0.14611573
   0.83852615  0.84798056  0.27117612
   0.64350455  0.66943558  0.47079890
   0.89570674  0.62005882  0.87546265
   0.64012434  0.93973454  0.63439560
   0.86592338  0.86169962  0.75350639
   0.09691742  0.06154246  0.16030904
   0.35078640  0.17953458  0.27332705
   0.12834179  0.33225802  0.02864696
   0.36107129  0.42856723  0.34854323
   0.54807002  0.36704866  0.21996725
   0.30555781  0.42408288  0.16992992
   0.23198860  0.10144689  0.43137236
  -0.01085185  0.20598586  0.40484005
   0.03562390  0.06246693  0.55941701
   0.47377332  0.25210869  0.78306882
   0.14947489  0.31494102  0.53181105
   0.36693566  0.47256431  0.85964153
   0.45226217  0.46678568  0.66732924
   0.22251505  0.36946138  0.71226404
   0.27543698  0.23186830 -0.11883044
   0.05085081  0.13904940  0.91419979
   0.14741648  0.59104234  0.08116476
   0.39036346  0.67054810  0.26738589
   0.10762690  0.84824566  0.03077607
   0.36967171  0.92014655  0.35600427
   0.42670689  0.89737578  0.16749250
   0.17949717  0.83661220  0.22729604
   0.33216783  0.65596403  0.44932079
   0.06986258  0.58084948  0.41642523
   0.19916664  0.56879181  0.58238938
   0.36857179  0.71023621  0.77718741
   0.12215129  0.81036195  0.50871403
   0.35746290  1.02115796  0.78233320
   0.47282533  0.91612498  0.63394912
   0.20926719  0.92006367  0.66630552
   0.30641700  0.70251747 -0.04471392
   0.05222341  0.65955711  0.89689996
   0.61960647  0.06380435  0.10715669
   0.86189632  0.17125337  0.24655761
   0.58684157  0.29919535  0.02443262
   0.87120968  0.43683807  0.38411962
   0.03370473  0.39267274  0.19561894
   0.79169330  0.39662200  0.14562090
   0.72915970  0.17338289  0.41311147
   0.49186832  0.11929004  0.44699262
   0.67923190  0.09099612  0.59117343
   0.85041877  0.20264786  0.79126976
   0.61029473  0.32441813  0.54338995
   0.87002042  0.46745477  0.84375544
   0.98466260  0.42008392  0.66900936
   0.71320416  0.41066633  0.69411940
   0.78713614  0.12832261  0.95809639
   0.50531114  0.07876834  0.93469650
   0.59475820  0.55129836  0.07547927
   0.88767151  0.69063839  0.30456319
   0.60927991  0.81476823  0.05672743
   0.87472986  0.95591461  0.35700482
   0.91335254  0.87648541  0.16402434
   0.67872589  0.86524329  0.23749922
   0.81394684  0.66900880  0.47362103
   0.59170679  0.57282463  0.38075748
   0.61322047  0.58961698  0.57011432
   0.84306806  0.71041006  0.78138387
   0.59261851  0.82021171  0.44038973
   0.92132931  0.94870401  0.83518672
   0.95214321  0.85592187  0.65464223
   0.71573569  0.93460000  0.74002626
   0.80703661  0.66737309  0.97478130
   0.55947834  0.66091828  0.90170871
   0.73453538  0.83202502  0.58689227
   0.50801548  0.84191859  0.40573784
   0.93701290  0.22940412  0.07171299
   0.94229923  0.38104180  0.38456700
   0.35011118  0.14160444  0.60902626
   0.37779783  0.81505355  0.77590818
   0.17933033  1.08867511  0.18760884
   0.25607608  1.10680154  0.03165727
   0.65815471  0.32252072  0.84899766
   0.88302943  0.43909777  0.63068173
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882122    0.150964   -0.041545
    -0.000000    9.815665    0.191466
    -0.000000    0.000000   14.059739
   Si   O    H 
    32    64    10
Direct configuration=  1779
   0.17913260  0.20191369 -0.02965089
   0.36517498  0.08953041  0.38035314
   0.15436679  0.43689257  0.12234811
   0.39932341  0.34356382  0.25218336
   0.10347609  0.17333915  0.48592340
   0.40257620  0.13839347  0.85341339
   0.13754133  0.42168626  0.62201746
   0.38000003  0.38777162  0.75551623
   0.14551311  0.69459010 -0.01286818
   0.42332546  0.58529912  0.36299871
   0.07615058  0.89658654  0.14448741
   0.33548082  0.82993124  0.25476575
   0.17567509  0.65909351  0.49019131
   0.39937736  0.63653005  0.87522364
   0.07505347  0.91430814  0.59741394
   0.34890913  1.00931700  0.66611234
   0.63230841  0.14402199  1.00121015
   0.86582319  0.12128225  0.36294386
   0.62552766  0.40236498  0.11947052
   0.91365290  0.29119442  0.16619376
   0.62388212  0.17832224  0.49860868
   0.90505311  0.10292536  0.87768548
   0.59622980  0.44305945  0.61531437
   0.77165091  0.35637995  0.79689989
   0.64188752  0.66895013  0.00168576
   0.90470072  0.58984367  0.39804523
   0.58827062  0.91612974  0.14600652
   0.83940930  0.84817935  0.27155600
   0.64368958  0.66858324  0.47027861
   0.89439410  0.62058829  0.87585406
   0.63936628  0.94011948  0.63447126
   0.86514648  0.86244830  0.75340944
   0.09643965  0.06117231  0.16012265
   0.35133721  0.17967975  0.27446870
   0.12943016  0.33261004  0.02753005
   0.36114131  0.42592586  0.34841637
   0.54845677  0.36722195  0.22114056
   0.30635300  0.42230778  0.16955063
   0.23049114  0.10126380  0.43152235
  -0.00947787  0.20735318  0.40325361
   0.03605948  0.06290949  0.55878925
   0.47321149  0.25238350  0.78125375
   0.14982971  0.31712289  0.53302141
   0.36728618  0.47407841  0.85861772
   0.45174722  0.46610102  0.66663218
   0.22521042  0.36797857  0.71297807
   0.27519267  0.23212810 -0.11807594
   0.05085177  0.13835479  0.91475363
   0.14594034  0.58898236  0.08181858
   0.39036387  0.67217743  0.26742223
   0.10811539  0.84881714  0.03027623
   0.37127187  0.91788529  0.35572454
   0.42688442  0.89737352  0.16807363
   0.17839467  0.83494663  0.22657600
   0.33514647  0.65585651  0.44940321
   0.06831719  0.57977778  0.41631909
   0.19847225  0.56773528  0.58249815
   0.36889052  0.70946398  0.77855988
   0.12410607  0.81230750  0.50885762
   0.35637501  1.01875053  0.78233391
   0.47322904  0.91485205  0.63381406
   0.20795544  0.91833023  0.66592850
   0.30580410  0.70170273 -0.04450599
   0.05236473  0.65771911  0.89839332
   0.61922316  0.06299859  0.10637128
   0.86245695  0.17292408  0.24613999
   0.58738405  0.29975990  0.02538493
   0.87079078  0.43475709  0.38550974
   0.03534802  0.39426954  0.19506185
   0.79279002  0.39743110  0.14652179
   0.72745604  0.17198860  0.41257343
   0.49223052  0.11933750  0.44600223
   0.68118096  0.09150035  0.59080658
   0.84994021  0.20395666  0.79170065
   0.61049775  0.32682321  0.54318579
   0.87198928  0.46772035  0.84320127
   0.98465982  0.41838257  0.66827021
   0.71380157  0.41044430  0.69444137
   0.78732211  0.12947052  0.95724646
   0.50631680  0.07800179  0.93520715
   0.59324290  0.55187106  0.07316649
   0.88978512  0.69206654  0.30380769
   0.61003431  0.81437589  0.05634798
   0.87667479  0.95503689  0.35705030
   0.91438718  0.87608406  0.16389213
   0.68040925  0.86511786  0.23761028
   0.81386011  0.67027503  0.47409658
   0.59175202  0.57263251  0.38200518
   0.61333835  0.59085502  0.56938315
   0.84208175  0.70973716  0.78063156
   0.59170030  0.81897670  0.43953950
   0.92098414  0.95172580  0.83435799
   0.95130746  0.85564460  0.65533440
   0.71551286  0.93360237  0.74063225
   0.80706722  0.66631164  0.97360795
   0.56119653  0.66042964  0.90131199
   0.73205478  0.83419402  0.58682875
   0.50692590  0.84053593  0.41047281
   0.93765959  0.22678063  0.07211105
   0.95033897  0.37147480  0.37669527
   0.34594720  0.14280511  0.60634297
   0.37787101  0.80774006  0.76605857
   0.18686905  1.09330444  0.18622130
   0.25961471  1.11010448  0.02968448
   0.65859476  0.32029212  0.84969830
   0.89019519  0.44214888  0.63138655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883622    0.149392   -0.042999
    -0.000000    9.811649    0.193231
    -0.000000    0.000000   14.058867
   Si   O    H 
    32    64    10
Direct configuration=  1780
   0.17828392  0.20180418 -0.02938735
   0.36446960  0.08932054  0.37941428
   0.15328119  0.43667205  0.12145581
   0.39944009  0.34384760  0.25284835
   0.10255072  0.17157196  0.48645514
   0.40208818  0.13733646  0.85386979
   0.13561432  0.42235393  0.62148840
   0.37879780  0.38700656  0.75506106
   0.14638798  0.69463905 -0.01252214
   0.42385302  0.58521960  0.36362131
   0.07577636  0.89704213  0.14425390
   0.33437136  0.83117370  0.25540044
   0.17645858  0.65999430  0.49122504
   0.39785835  0.63806355  0.87558748
   0.07494525  0.91322855  0.59701481
   0.34912952  1.00920975  0.66600775
   0.63130633  0.14528925  1.00213488
   0.86659233  0.12173922  0.36334954
   0.62556988  0.40262400  0.11929693
   0.91465473  0.29031664  0.16625506
   0.62352172  0.17727376  0.49784628
   0.90537872  0.10260341  0.87770081
   0.59505835  0.44381150  0.61505493
   0.77073981  0.35492794  0.79636402
   0.64102185  0.66841540  0.00106214
   0.90439605  0.58916891  0.39720869
   0.58797515  0.91650537  0.14594608
   0.84042970  0.84774923  0.27191259
   0.64435484  0.66762858  0.47005469
   0.89371942  0.62108685  0.87671640
   0.63914659  0.94007127  0.63453928
   0.86448230  0.86317374  0.75344597
   0.09596627  0.06107866  0.15987680
   0.35180326  0.18032932  0.27543963
   0.13085274  0.33330260  0.02617671
   0.36118811  0.42356304  0.34821774
   0.54940030  0.36672948  0.22177764
   0.30624200  0.42074394  0.16919750
   0.22893785  0.10212688  0.43167282
  -0.00834582  0.20889805  0.40181982
   0.03613923  0.06370304  0.55827045
   0.47221892  0.25205171  0.77931971
   0.14966588  0.31842694  0.53428300
   0.36748445  0.47571755  0.85761828
   0.45075523  0.46567616  0.66625328
   0.22809790  0.36665153  0.71368084
   0.27525745  0.23234885 -0.11733036
   0.05213418  0.13749053  0.91487376
   0.14528967  0.58754212  0.08233254
   0.39026909  0.67473859  0.26720380
   0.10835957  0.84994033  0.02962898
   0.37274880  0.91550022  0.35547046
   0.42746866  0.89752728  0.16869007
   0.17777856  0.83312519  0.22626242
   0.33779306  0.65612835  0.44940884
   0.06742981  0.57965688  0.41620370
   0.19683323  0.56645280  0.58305051
   0.36898746  0.70901701  0.77954294
   0.12569555  0.81384070  0.50947875
   0.35478915  1.01647394  0.78238807
   0.47455153  0.91379754  0.63384584
   0.20717756  0.91694515  0.66573909
   0.30423548  0.70072554 -0.04461454
   0.05270531  0.65535462  0.89938672
   0.61868456  0.06323909  0.10576080
   0.86344932  0.17449314  0.24559958
   0.58800371  0.30054906  0.02728515
   0.86982948  0.43254486  0.38673185
   0.03705498  0.39581362  0.19540908
   0.79239046  0.39834662  0.14693856
   0.72612112  0.17036281  0.41202916
   0.49226818  0.11946381  0.44477877
   0.68276478  0.09242321  0.59042214
   0.85013185  0.20498594  0.79136703
   0.61079166  0.32828489  0.54224228
   0.87397384  0.46801045  0.84248954
   0.98412070  0.41741587  0.66715385
   0.71499595  0.41038619  0.69458363
   0.78643004  0.12979472  0.95671997
   0.50723649  0.07742897  0.93547658
   0.59167781  0.55233056  0.07129067
   0.89138842  0.69342211  0.30247486
   0.61052197  0.81370325  0.05563629
   0.87879611  0.95415097  0.35701075
   0.91465610  0.87630519  0.16444855
   0.68167105  0.86441867  0.23844756
   0.81313226  0.67169725  0.47441463
   0.59161441  0.57197043  0.38268744
   0.61315418  0.59227564  0.56868052
   0.84128696  0.70861287  0.78004293
   0.59170874  0.81814928  0.43900721
   0.92107239  0.95437599  0.83427932
   0.95013961  0.85510052  0.65594246
   0.71506505  0.93264975  0.74068099
   0.80711659  0.66525610  0.97239424
   0.56183821  0.65978483  0.90119438
   0.72089567  0.83589798  0.58695732
   0.49970679  0.84122826  0.41287093
   0.93893902  0.22335744  0.07572162
   0.94924255  0.36852814  0.36817039
   0.34002031  0.14055124  0.60413181
   0.37834970  0.79815035  0.75673069
   0.18876168  1.09576126  0.18210355
   0.26475236  1.11276169  0.02762625
   0.65596759  0.31758646  0.85423497
   0.91080075  0.44075336  0.63658430
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885257    0.147987   -0.044554
    -0.000000    9.807587    0.194474
    -0.000000    0.000000   14.058346
   Si   O    H 
    32    64    10
Direct configuration=  1781
   0.17748292  0.20050442 -0.02959756
   0.36438517  0.08910778  0.37829007
   0.15283196  0.43632905  0.12013017
   0.39868020  0.34380888  0.25395658
   0.10228956  0.17011868  0.48706072
   0.40108669  0.13557795  0.85436626
   0.13457698  0.42267810  0.62101072
   0.37766111  0.38634612  0.75503142
   0.14754405  0.69522734 -0.01245215
   0.42358490  0.58477344  0.36443391
   0.07540475  0.89711722  0.14420103
   0.33389116  0.83244619  0.25632795
   0.17730101  0.66063289  0.49187661
   0.39691485  0.63923850  0.87553927
   0.07469829  0.91206665  0.59705334
   0.34903519  1.00854051  0.66587494
   0.63128566  0.14601703  1.00324863
   0.86656100  0.12208763  0.36340701
   0.62641737  0.40297716  0.11897835
   0.91540177  0.28959161  0.16611802
   0.62295045  0.17635278  0.49738644
   0.90556364  0.10250683  0.87725312
   0.59419305  0.44501615  0.61514272
   0.77069231  0.35343721  0.79562841
   0.63976273  0.66835149  0.00050822
   0.90499780  0.58930628  0.39593994
   0.58782185  0.91664417  0.14527154
   0.84058010  0.84692190  0.27214264
   0.64477312  0.66684861  0.46948377
   0.89242192  0.62136067  0.87742810
   0.63876224  0.94050432  0.63452383
   0.86392405  0.86328617  0.75320055
   0.09644353  0.06075463  0.15955360
   0.35193467  0.18098096  0.27618424
   0.13302864  0.33460708  0.02493009
   0.36143209  0.42221662  0.34849774
   0.55109065  0.36609899  0.22191448
   0.30653560  0.41923011  0.16898538
   0.22677289  0.10219374  0.43208990
  -0.00725082  0.21007597  0.40046861
   0.03618653  0.06457577  0.55809861
   0.47097478  0.25137960  0.77755530
   0.14897894  0.31941607  0.53447181
   0.36739348  0.47728349  0.85661976
   0.45032556  0.46534180  0.66522935
   0.23069984  0.36541244  0.71421859
   0.27532421  0.23275449 -0.11713740
   0.05265802  0.13667640  0.91543026
   0.14461339  0.58769522  0.08259095
   0.38946444  0.67612635  0.26712314
   0.10941443  0.85142298  0.02984681
   0.37366717  0.91320412  0.35536779
   0.42733562  0.89792211  0.16947913
   0.17691326  0.83120881  0.22605666
   0.33972190  0.65594200  0.44934141
   0.06679943  0.57933942  0.41672748
   0.19606958  0.56543175  0.58335544
   0.36883957  0.70842783  0.77955679
   0.12721302  0.81554932  0.50997384
   0.35372538  1.01435926  0.78298736
   0.47611424  0.91211047  0.63360305
   0.20671445  0.91510744  0.66537443
   0.30269568  0.69977959 -0.04459388
   0.05330003  0.65298469  0.89981031
   0.61866279  0.06426352  0.10491715
   0.86440457  0.17640154  0.24564984
   0.58832633  0.30159270  0.02910944
   0.86858313  0.42974292  0.38720699
   0.03815505  0.39677412  0.19599626
   0.79172792  0.39856224  0.14682430
   0.72491092  0.16883264  0.41141932
   0.49159471  0.11942903  0.44403482
   0.68431943  0.09297682  0.59011823
   0.84968406  0.20568048  0.79187806
   0.61085075  0.33043446  0.54088770
   0.87593505  0.46822585  0.84157620
   0.98477566  0.41663372  0.66675110
   0.71561067  0.41051124  0.69411993
   0.78496281  0.12903192  0.95651428
   0.50873340  0.07674866  0.93619838
   0.58954475  0.55229299  0.07015130
   0.89278110  0.69461669  0.30181703
   0.61097426  0.81327989  0.05516603
   0.88060702  0.95330069  0.35718833
   0.91500626  0.87647843  0.16517925
   0.68368103  0.86376948  0.23969679
   0.81221871  0.67306978  0.47448399
   0.59060204  0.57082347  0.38321868
   0.61298824  0.59396789  0.56802221
   0.84043008  0.70698027  0.78001633
   0.59178035  0.81757436  0.43848503
   0.92161012  0.95636342  0.83423989
   0.94939616  0.85436111  0.65651668
   0.71431904  0.93225814  0.74029716
   0.80734129  0.66422210  0.97131947
   0.56161347  0.65923856  0.90107640
   0.70790255  0.83552999  0.58626707
   0.49693372  0.83893879  0.41746490
   0.93963725  0.21862014  0.07986779
   0.94461950  0.37338436  0.36062892
   0.33504085  0.13713297  0.60448184
   0.37857425  0.79938341  0.74528193
   0.18173098  1.09347209  0.17686473
   0.26773062  1.11152193  0.02896054
   0.65165348  0.32060019  0.86166331
   0.91016265  0.44743156  0.63260196
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886783    0.146859   -0.045737
    -0.000000    9.803114    0.195504
    -0.000000    0.000000   14.057875
   Si   O    H 
    32    64    10
Direct configuration=  1782
   0.17674996  0.19980768 -0.02993875
   0.36459924  0.08885206  0.37684389
   0.15300664  0.43572040  0.11862052
   0.39783711  0.34411166  0.25472071
   0.10237067  0.16941330  0.48756243
   0.40095050  0.13416110  0.85475059
   0.13391657  0.42263241  0.62063756
   0.37683805  0.38705487  0.75536830
   0.14884845  0.69570396 -0.01269027
   0.42393041  0.58375573  0.36463099
   0.07446480  0.89719506  0.14403487
   0.33351967  0.83369717  0.25731833
   0.17850708  0.66140597  0.49206618
   0.39647055  0.64017263  0.87508826
   0.07469710  0.91069608  0.59719069
   0.34892795  1.00749990  0.66598748
   0.63149440  0.14603532  1.00438840
   0.86640697  0.12292132  0.36257330
   0.62806575  0.40371103  0.11852629
   0.91585792  0.28866840  0.16635317
   0.62243945  0.17527281  0.49704592
   0.90524061  0.10197136  0.87678177
   0.59355937  0.44640104  0.61541740
   0.77064778  0.35203428  0.79511421
   0.63890039  0.66827420 -0.00010875
   0.90547649  0.58909796  0.39523363
   0.58777584  0.91697609  0.14491967
   0.84085146  0.84643068  0.27197645
   0.64441488  0.66613692  0.46880213
   0.89101738  0.62175247  0.87815460
   0.63858201  0.94145285  0.63426748
   0.86313191  0.86388415  0.75291259
   0.09694059  0.05969220  0.15855227
   0.35220101  0.18165641  0.27706470
   0.13581749  0.33552148  0.02395110
   0.36193768  0.42157127  0.34873470
   0.55296264  0.36516033  0.22144097
   0.30642355  0.41725289  0.16900953
   0.22477388  0.10243929  0.43251954
  -0.00597255  0.21158286  0.39957888
   0.03567257  0.06553754  0.55788155
   0.46969172  0.25002164  0.77591594
   0.14880667  0.31988371  0.53400194
   0.36767852  0.47890201  0.85599040
   0.44930376  0.46512706  0.66508383
   0.23177463  0.36419104  0.71431458
   0.27605600  0.23325577 -0.11724870
   0.05371674  0.13527370  0.91559045
   0.14415914  0.58951059  0.08255552
   0.38824233  0.67729551  0.26733119
   0.11001839  0.85209171  0.03021306
   0.37375185  0.91187840  0.35495664
   0.42857969  0.89828923  0.17075220
   0.17592327  0.82894784  0.22537325
   0.34040645  0.65661642  0.44898181
   0.06663465  0.57920696  0.41724632
   0.19449818  0.56464997  0.58401641
   0.36835830  0.70907377  0.77891406
   0.12882303  0.81658413  0.51062971
   0.35312376  1.01285729  0.78400520
   0.47819630  0.91110994  0.63309598
   0.20633699  0.91404695  0.66509757
   0.30086092  0.69938006 -0.04442241
   0.05399329  0.65093990  0.89986124
   0.61864331  0.06548472  0.10405145
   0.86454542  0.17747488  0.24582733
   0.58827800  0.30254146  0.03017613
   0.86753383  0.42769562  0.38771178
   0.03972664  0.39677597  0.19613535
   0.79078105  0.39870715  0.14618606
   0.72373283  0.16643469  0.41097078
   0.49084869  0.12006063  0.44387362
   0.68568277  0.09280212  0.58971050
   0.84889003  0.20607203  0.79143650
   0.61095517  0.33080482  0.53931261
   0.87741664  0.46799294  0.84099560
   0.98597785  0.41674260  0.66621448
   0.71579900  0.41096401  0.69306679
   0.78356783  0.12832694  0.95669069
   0.50995954  0.07632005  0.93646726
   0.58814422  0.55284226  0.06908449
   0.89477031  0.69596200  0.30123196
   0.61124363  0.81288494  0.05459963
   0.88255124  0.95325839  0.35674167
   0.91450263  0.87677516  0.16599110
   0.68489909  0.86288168  0.24048897
   0.81132990  0.67432844  0.47423674
   0.58914299  0.56977434  0.38361035
   0.61299468  0.59613867  0.56765867
   0.83989473  0.70513510  0.78017126
   0.59212480  0.81689077  0.43861451
   0.92310070  0.95733884  0.83497099
   0.94962728  0.85434762  0.65680088
   0.71322869  0.93208981  0.73974901
   0.80669672  0.66242661  0.97028865
   0.56144628  0.65809543  0.90082650
   0.69839646  0.83157734  0.58587143
   0.49684879  0.84051281  0.42286742
   0.93763686  0.21315439  0.08262101
   0.93613715  0.37892882  0.35498998
   0.33173130  0.13023817  0.60649726
   0.37827458  0.79244164  0.73866379
   0.18279220  1.09364621  0.17325237
   0.26870585  1.10864820  0.02984504
   0.65188597  0.32793176  0.86793784
   0.89872469  0.45614432  0.62378392
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888323    0.144941   -0.047613
    -0.000000    9.798599    0.196226
    -0.000000    0.000000   14.057514
   Si   O    H 
    32    64    10
Direct configuration=  1783
   0.17671078  0.19910170 -0.03014271
   0.36470167  0.08829834  0.37555305
   0.15329846  0.43471095  0.11712158
   0.39705735  0.34426195  0.25602733
   0.10223081  0.16929271  0.48795587
   0.40062077  0.13349063  0.85524464
   0.13323926  0.42236486  0.62075142
   0.37652158  0.38800737  0.75582905
   0.14938922  0.69710037 -0.01274474
   0.42411598  0.58319891  0.36459940
   0.07390204  0.89746117  0.14369212
   0.33317851  0.83444215  0.25814568
   0.17974490  0.66185136  0.49188427
   0.39621114  0.64062090  0.87498331
   0.07471429  0.90967125  0.59770643
   0.34812450  1.00663182  0.66640368
   0.63186106  0.14615692  1.00555574
   0.86668201  0.12400899  0.36099988
   0.62936717  0.40459473  0.11792936
   0.91655120  0.28783818  0.16705469
   0.62177033  0.17442480  0.49703492
   0.90460200  0.10208691  0.87641482
   0.59300246  0.44836047  0.61551335
   0.77046262  0.35071538  0.79510925
   0.63847730  0.66830275 -0.00030012
   0.90600430  0.58965880  0.39452848
   0.58805561  0.91685546  0.14464979
   0.84131443  0.84588594  0.27179910
   0.64443930  0.66620904  0.46804132
   0.88985417  0.62137834  0.87909917
   0.63843660  0.94201883  0.63378857
   0.86172435  0.86416257  0.75251711
   0.09776454  0.05846255  0.15716460
   0.35270151  0.18199708  0.27779933
   0.13860171  0.33685123  0.02365194
   0.36218046  0.42180651  0.34904779
   0.55504242  0.36485762  0.22041605
   0.30601755  0.41494353  0.16876077
   0.22363239  0.10210198  0.43296323
  -0.00426737  0.21210708  0.39910775
   0.03511485  0.06622912  0.55811543
   0.46776775  0.24829080  0.77399324
   0.14861311  0.32029930  0.53283681
   0.36787900  0.48025004  0.85518015
   0.44854693  0.46519399  0.66481748
   0.23200774  0.36304162  0.71446109
   0.27682747  0.23402553 -0.11727763
   0.05430174  0.13378799  0.91605962
   0.14417336  0.59158752  0.08282255
   0.38772052  0.67794861  0.26788728
   0.11079850  0.85243887  0.03029478
   0.37429952  0.91175498  0.35442598
   0.43072612  0.89924284  0.17191782
   0.17444086  0.82597283  0.22517935
   0.34051964  0.65785974  0.44863370
   0.06724268  0.58010944  0.41808261
   0.19407517  0.56451198  0.58435909
   0.36827447  0.70951161  0.77770579
   0.12939585  0.81713205  0.51098877
   0.35231772  1.01175025  0.78458967
   0.47983824  0.91082021  0.63261719
   0.20691457  0.91350738  0.66434945
   0.29954552  0.69893653 -0.04430844
   0.05417007  0.64867513  0.90000878
   0.61899349  0.06582667  0.10361724
   0.86462588  0.17908232  0.24700149
   0.58826307  0.30309341  0.03151369
   0.86570308  0.42645464  0.38835885
   0.04156035  0.39669162  0.19585068
   0.78999854  0.39921126  0.14574378
   0.72341495  0.16432410  0.41078815
   0.48999473  0.12041802  0.44338049
   0.68682452  0.09183302  0.58948387
   0.84838206  0.20625034  0.79054108
   0.61017179  0.33011578  0.53717451
   0.87820411  0.46790597  0.84042762
   0.98604840  0.41656770  0.66530552
   0.71586560  0.41139775  0.69241548
   0.78223335  0.12716138  0.95666209
   0.51086904  0.07610090  0.93712490
   0.58551135  0.55262003  0.06818885
   0.89553001  0.69709363  0.30110584
   0.61211319  0.81311270  0.05404059
   0.88437766  0.95304183  0.35667410
   0.91435409  0.87692240  0.16711356
   0.68616319  0.86266898  0.24134470
   0.81027160  0.67458781  0.47382227
   0.58823272  0.56837305  0.38385912
   0.61325933  0.59780333  0.56757521
   0.83905641  0.70264435  0.78040913
   0.59189417  0.81623860  0.43829627
   0.92482746  0.95888378  0.83588866
   0.95055499  0.85401014  0.65683815
   0.71273549  0.93234359  0.73983752
   0.80517222  0.66037295  0.96985380
   0.56019050  0.65654635  0.90041907
   0.68936989  0.82348939  0.58270956
   0.49880930  0.84125998  0.42578152
   0.94016098  0.20551658  0.08428610
   0.93774691  0.38128298  0.34975289
   0.32646203  0.12514299  0.60989694
   0.37817719  0.78029806  0.73375594
   0.19142697  1.09890138  0.17166731
   0.26736575  1.10742482  0.02978719
   0.65683303  0.33911353  0.87079998
   0.89745596  0.45722308  0.62335275
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889905    0.143607   -0.049807
    -0.000000    9.794161    0.196935
    -0.000000    0.000000   14.057343
   Si   O    H 
    32    64    10
Direct configuration=  1784
   0.17709451  0.19806579 -0.03004441
   0.36441817  0.08719470  0.37456124
   0.15399715  0.43337392  0.11607855
   0.39633396  0.34405049  0.25687447
   0.10168769  0.17022233  0.48785247
   0.40070803  0.13291705  0.85556774
   0.13362134  0.42216005  0.62111594
   0.37681585  0.38909522  0.75618160
   0.15001749  0.69876231 -0.01261886
   0.42341710  0.58235790  0.36379676
   0.07323978  0.89779239  0.14335450
   0.33242832  0.83482276  0.25862658
   0.18091628  0.66267622  0.49171088
   0.39566135  0.64025707  0.87480442
   0.07504491  0.90900509  0.59791069
   0.34728613  1.00542199  0.66700419
   0.63215547  0.14594560  1.00634941
   0.86686360  0.12486927  0.35984857
   0.63077549  0.40523867  0.11729495
   0.91683317  0.28744834  0.16826199
   0.62106008  0.17407289  0.49747429
   0.90428300  0.10238766  0.87634672
   0.59243151  0.44958332  0.61577275
   0.77029855  0.34931892  0.79564353
   0.63805238  0.66876549 -0.00085815
   0.90659889  0.58989785  0.39408007
   0.58856510  0.91640015  0.14484511
   0.84128816  0.84609326  0.27164792
   0.64423192  0.66616389  0.46730136
   0.88928484  0.61993598  0.87998047
   0.63853347  0.94227929  0.63354000
   0.86024032  0.86362112  0.75199165
   0.09787756  0.05780948  0.15634109
   0.35292071  0.18238034  0.27863786
   0.14142986  0.33851072  0.02338942
   0.36167494  0.42268307  0.34950321
   0.55701504  0.36444281  0.21965107
   0.30544260  0.41162838  0.16889416
   0.22294906  0.10118076  0.43313128
  -0.00330434  0.21217319  0.39824408
   0.03499682  0.06602102  0.55809765
   0.46524279  0.24581597  0.77260912
   0.14894784  0.32013310  0.53097647
   0.36839223  0.48157878  0.85435110
   0.44856090  0.46521951  0.66451577
   0.23107114  0.36255904  0.71486377
   0.27821379  0.23439206 -0.11789211
   0.05413376  0.13202761  0.91580066
   0.14454310  0.59297606  0.08343980
   0.38730330  0.67843572  0.26864543
   0.11126904  0.85259153  0.03056112
   0.37447224  0.91229854  0.35376484
   0.43223352  0.90029376  0.17303332
   0.17251491  0.82292174  0.22508001
   0.34026117  0.65968809  0.44908217
   0.06803265  0.58106316  0.41916064
   0.19307263  0.56526069  0.58449743
   0.36821443  0.71025158  0.77641337
   0.12971107  0.81779339  0.51067721
   0.35270968  1.01081799  0.78536349
   0.48055090  0.91018888  0.63206925
   0.20701831  0.91351432  0.66360245
   0.29984651  0.69854967 -0.04395143
   0.05383165  0.64666040  0.89984342
   0.61947822  0.06578268  0.10315624
   0.86473347  0.18109546  0.24838081
   0.58777704  0.30297305  0.03314875
   0.86318519  0.42565573  0.38889257
   0.04298690  0.39582241  0.19488481
   0.78884146  0.39919619  0.14483028
   0.72424007  0.16263698  0.41001365
   0.48815475  0.12186599  0.44339096
   0.68721565  0.09008838  0.58945496
   0.84845340  0.20639821  0.78981041
   0.60901962  0.32895504  0.53578104
   0.87862322  0.46743222  0.84029257
   0.98481202  0.41652673  0.66408351
   0.71613728  0.41229516  0.69164529
   0.78034737  0.12584418  0.95616263
   0.51206501  0.07607443  0.93772587
   0.58333607  0.55162443  0.06796860
   0.89647267  0.69777678  0.30098751
   0.61248701  0.81300617  0.05374776
   0.88632703  0.95259900  0.35712459
   0.91469271  0.87582671  0.16837734
   0.68744505  0.86258507  0.24173898
   0.80881526  0.67575983  0.47343746
   0.58719911  0.56670323  0.38414090
   0.61399305  0.59893405  0.56730605
   0.83896332  0.70054514  0.78054945
   0.59149144  0.81545807  0.43860963
   0.92643045  0.95912154  0.83619109
   0.95126336  0.85430644  0.65620459
   0.71249775  0.93330916  0.74025038
   0.80457959  0.65825420  0.96985736
   0.55836022  0.65503152  0.89977910
   0.68264401  0.81564876  0.58028314
   0.49835544  0.83891897  0.42785408
   0.94180412  0.19945396  0.08519916
   0.93807436  0.38339862  0.34685446
   0.32419210  0.12233203  0.61190809
   0.37869136  0.77782984  0.72479107
   0.18735136  1.09955615  0.16748818
   0.26198323  1.10764991  0.02809494
   0.66314862  0.34815346  0.87089276
   0.90797422  0.45137275  0.62982438
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891344    0.142433   -0.051969
    -0.000000    9.789925    0.197177
    -0.000000    0.000000   14.056496
   Si   O    H 
    32    64    10
Direct configuration=  1785
   0.17746737  0.19693812 -0.02987479
   0.36334447  0.08551439  0.37304592
   0.15473792  0.43294944  0.11516505
   0.39561539  0.34402682  0.25744972
   0.10077950  0.17138815  0.48790784
   0.40128218  0.13269099  0.85543795
   0.13445780  0.42155938  0.62153449
   0.37739641  0.39008619  0.75654121
   0.15033788  0.69974370 -0.01236669
   0.42276472  0.58233442  0.36275013
   0.07205154  0.89844148  0.14302907
   0.33144425  0.83472087  0.25884272
   0.18239141  0.66360225  0.49177245
   0.39426061  0.63978129  0.87456560
   0.07571237  0.90821181  0.59796289
   0.34653512  1.00419704  0.66783606
   0.63256279  0.14603577  1.00721890
   0.86692984  0.12559965  0.35871091
   0.63114311  0.40610573  0.11693846
   0.91694044  0.28726231  0.16933872
   0.62038471  0.17430432  0.49787874
   0.90397441  0.10276730  0.87641908
   0.59186920  0.45100126  0.61561239
   0.77064782  0.34836684  0.79591685
   0.63727366  0.66950535 -0.00157738
   0.90661364  0.59047779  0.39361320
   0.59002560  0.91626444  0.14505449
   0.84167137  0.84624250  0.27151557
   0.64384320  0.66603875  0.46656900
   0.88870173  0.61836335  0.88028207
   0.63890514  0.94234050  0.63308913
   0.85925406  0.86314709  0.75155813
   0.09777189  0.05826441  0.15556081
   0.35281900  0.18324196  0.27902323
   0.14437754  0.33968051  0.02297983
   0.36121034  0.42443678  0.35022880
   0.55905861  0.36423781  0.21936552
   0.30483753  0.40864673  0.16932570
   0.22266744  0.09990629  0.43357123
  -0.00185425  0.21240799  0.39768033
   0.03453397  0.06581937  0.55842390
   0.46318224  0.24323047  0.77104363
   0.15043847  0.31977505  0.52883000
   0.36896495  0.48237188  0.85327561
   0.44781447  0.46543179  0.66400720
   0.22957016  0.36232312  0.71469561
   0.27896284  0.23381411 -0.11810895
   0.05315916  0.13041488  0.91636381
   0.14505629  0.59381693  0.08375626
   0.38642907  0.67883709  0.26968992
   0.11105204  0.85247095  0.03113102
   0.37444258  0.91422144  0.35307134
   0.43323168  0.90167802  0.17483916
   0.17039349  0.81990673  0.22542843
   0.33986736  0.66094146  0.44948711
   0.06939574  0.58187666  0.42039963
   0.19227603  0.56553528  0.58437420
   0.36754636  0.71142808  0.77455489
   0.12976927  0.81815158  0.51061901
   0.35333628  1.00994042  0.78643991
   0.48052778  0.91093596  0.63163722
   0.20761522  0.91335963  0.66297239
   0.30088093  0.69829851 -0.04338562
   0.05304232  0.64522819  0.89980893
   0.61936796  0.06579740  0.10335181
   0.86537792  0.18247904  0.24993042
   0.58793689  0.30229143  0.03479922
   0.86225099  0.42553297  0.38890412
   0.04375498  0.39467379  0.19417259
   0.78788238  0.39948749  0.14388652
   0.72571042  0.16044257  0.40896883
   0.48674554  0.12426028  0.44316888
   0.68698218  0.08809464  0.58917091
   0.84904604  0.20688744  0.78957257
   0.60785128  0.32814475  0.53430797
   0.87868715  0.46743512  0.84120886
   0.98362016  0.41563847  0.66330286
   0.71569129  0.41310650  0.69087439
   0.77862755  0.12480820  0.95579436
   0.51305449  0.07665187  0.93803165
   0.58138769  0.55088783  0.06813861
   0.89746656  0.69787800  0.30081421
   0.61324749  0.81307192  0.05358714
   0.88761232  0.95254301  0.35735053
   0.91526205  0.87498600  0.16948496
   0.68741618  0.86199861  0.24115688
   0.80712442  0.67626896  0.47280407
   0.58545721  0.56527621  0.38450945
   0.61444279  0.59963841  0.56704531
   0.83856079  0.69934992  0.78079119
   0.59240503  0.81530309  0.43859841
   0.92822259  0.95781761  0.83598647
   0.95200218  0.85484948  0.65599233
   0.71203273  0.93328614  0.74050683
   0.80386979  0.65655056  0.97058101
   0.55563928  0.65352089  0.89915825
   0.68000821  0.81357563  0.57857201
   0.49368575  0.83464813  0.42677288
   0.94228144  0.19849065  0.08540835
   0.93492280  0.38659991  0.35108587
   0.32095159  0.13180369  0.61014490
   0.38019649  0.77567276  0.71627842
   0.17893787  1.09516232  0.16610609
   0.26024344  1.10724460  0.02591477
   0.66979940  0.35632653  0.86870892
   0.91465799  0.44704252  0.63556083
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892623    0.141172   -0.054154
    -0.000000    9.785384    0.197018
    -0.000000    0.000000   14.055780
   Si   O    H 
    32    64    10
Direct configuration=  1786
   0.17772743  0.19676817 -0.03006555
   0.36193316  0.08445432  0.37169724
   0.15581936  0.43285749  0.11452698
   0.39533596  0.34396750  0.25768427
   0.09991364  0.17316216  0.48749005
   0.40188330  0.13202652  0.85545099
   0.13544004  0.42054830  0.62210216
   0.37809292  0.39128990  0.75668713
   0.15022948  0.70107382 -0.01207853
   0.42264578  0.58219121  0.36185435
   0.07093103  0.89931628  0.14242425
   0.33080089  0.83487240  0.25836589
   0.18336480  0.66460892  0.49190045
   0.39393654  0.63958208  0.87425240
   0.07597103  0.90766796  0.59812303
   0.34575674  1.00282927  0.66912778
   0.63319182  0.14649064  1.00750561
   0.86654108  0.12578806  0.35792451
   0.63178609  0.40711686  0.11675856
   0.91650833  0.28664354  0.17033513
   0.62048065  0.17481936  0.49884365
   0.90330190  0.10392756  0.87649926
   0.59088211  0.45202087  0.61542946
   0.77088987  0.34850071  0.79625962
   0.63639898  0.67015397 -0.00230251
   0.90681600  0.59099647  0.39321844
   0.59054550  0.91521824  0.14573665
   0.84214662  0.84643752  0.27157298
   0.64414595  0.66610353  0.46579846
   0.88816279  0.61647193  0.88054773
   0.63940209  0.94200275  0.63231896
   0.85889058  0.86265037  0.75126534
   0.09593247  0.05872966  0.15493623
   0.35360935  0.18372542  0.27900709
   0.14792669  0.34017053  0.02254284
   0.36080470  0.42673603  0.35129802
   0.56072019  0.36309806  0.21974492
   0.30441939  0.40605947  0.16955000
   0.22332617  0.09829147  0.43339531
  -0.00134872  0.21200081  0.39750378
   0.03402929  0.06505370  0.55904804
   0.46126098  0.24070827  0.76945529
   0.15190916  0.31940991  0.52673132
   0.36954780  0.48260014  0.85202707
   0.44775256  0.46500462  0.66359307
   0.22808097  0.36345394  0.71417106
   0.27974605  0.23350696 -0.11849364
   0.05207756  0.12799746  0.91711774
   0.14542350  0.59485394  0.08464512
   0.38632434  0.67877904  0.27101612
   0.11114363  0.85194815  0.03163056
   0.37390613  0.91543057  0.35259816
   0.43322442  0.90133881  0.17730304
   0.16907714  0.81626917  0.22595117
   0.34022301  0.66211663  0.44933753
   0.07109809  0.58266454  0.42219633
   0.19109239  0.56624620  0.58494656
   0.36708261  0.71372383  0.77218768
   0.12983961  0.81882821  0.51047289
   0.35442572  1.00965392  0.78763620
   0.47994329  0.91184042  0.63138230
   0.20841381  0.91426464  0.66228736
   0.30279663  0.69820405 -0.04281852
   0.05205553  0.64335160  0.89993445
   0.61837810  0.06592789  0.10386951
   0.86504763  0.18327418  0.25116830
   0.58845128  0.30124865  0.03644647
   0.86144363  0.42601577  0.38895014
   0.04412978  0.39364066  0.19418132
   0.78815292  0.39985009  0.14317877
   0.72737179  0.15871843  0.40816572
   0.48587180  0.12631999  0.44247839
   0.68550073  0.08685799  0.58903556
   0.84968676  0.20720446  0.78970227
   0.60580740  0.32755155  0.53308228
   0.87926207  0.46686964  0.84209799
   0.98429743  0.41367134  0.66334852
   0.71474261  0.41397747  0.69029892
   0.77818311  0.12359350  0.95591846
   0.51392270  0.07691783  0.93868403
   0.57998751  0.55074813  0.06846854
   0.89784815  0.69754457  0.30023716
   0.61401154  0.81347340  0.05345004
   0.88970111  0.95220436  0.35696665
   0.91552895  0.87379505  0.17051615
   0.68654510  0.86165100  0.24056897
   0.80624569  0.67584989  0.47168163
   0.58279871  0.56355746  0.38474960
   0.61383902  0.60087626  0.56728767
   0.83880173  0.69937236  0.78158032
   0.59236016  0.81465968  0.43893106
   0.93002255  0.95498526  0.83575701
   0.95304775  0.85475928  0.65604508
   0.71053081  0.93382133  0.74062269
   0.80247195  0.65462977  0.97185480
   0.55386391  0.65296999  0.89885053
   0.68357178  0.81688126  0.57912537
   0.49348774  0.82896355  0.42623896
   0.94122646  0.19682315  0.08705934
   0.93181500  0.38316812  0.35309378
   0.32046805  0.13882394  0.60852764
   0.38398927  0.76465742  0.71552253
   0.18693599  1.09824636  0.16703829
   0.25895375  1.10402476  0.02340501
   0.67107933  0.36116351  0.86608652
   0.89476678  0.45578489  0.63295983
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894019    0.139288   -0.055949
    -0.000000    9.780965    0.196378
    -0.000000    0.000000   14.054962
   Si   O    H 
    32    64    10
Direct configuration=  1787
   0.17787479  0.19635814 -0.03008232
   0.36086055  0.08405844  0.37089019
   0.15660603  0.43331712  0.11382379
   0.39464325  0.34356220  0.25726996
   0.09906870  0.17475621  0.48674664
   0.40296181  0.13092168  0.85520385
   0.13636930  0.41925467  0.62281064
   0.37853343  0.39147654  0.75666767
   0.15021081  0.70227424 -0.01209362
   0.42320234  0.58179557  0.36101343
   0.06949718  0.90017643  0.14144777
   0.32956014  0.83455468  0.25776317
   0.18391055  0.66481462  0.49217640
   0.39410114  0.63976612  0.87329032
   0.07671749  0.90716788  0.59798092
   0.34585291  1.00143543  0.67054840
   0.63349621  0.14672448  1.00750129
   0.86603138  0.12589327  0.35715630
   0.63199437  0.40858534  0.11683707
   0.91589245  0.28633526  0.17097089
   0.62100424  0.17507055  0.49935687
   0.90306016  0.10541348  0.87670752
   0.59047987  0.45189950  0.61517848
   0.77134247  0.34915973  0.79651385
   0.63567084  0.67159577 -0.00274015
   0.90653147  0.59140361  0.39298392
   0.59126275  0.91414773  0.14681356
   0.84209207  0.84627205  0.27150453
   0.64417881  0.66606963  0.46522756
   0.88834898  0.61600329  0.88084082
   0.64019591  0.94136502  0.63149642
   0.85921743  0.86190401  0.75137267
   0.09368246  0.05943042  0.15459638
   0.35465507  0.18395013  0.27869840
   0.15174453  0.34061770  0.02209314
   0.35964106  0.42803714  0.35204303
   0.56142839  0.36224068  0.22057889
   0.30455996  0.40391213  0.16931234
   0.22409645  0.09681943  0.43318740
  -0.00132024  0.21070038  0.39676627
   0.03293731  0.06393704  0.55965268
   0.45963052  0.23953198  0.76801289
   0.15296218  0.31942121  0.52489695
   0.36942940  0.48296658  0.85092641
   0.44830768  0.46493634  0.66346097
   0.22685662  0.36489464  0.71391907
   0.28054024  0.23322801 -0.11815712
   0.05139688  0.12630857  0.91792560
   0.14526662  0.59637916  0.08557860
   0.38566983  0.67901402  0.27213369
   0.11103663  0.85150506  0.03205806
   0.37234049  0.91683607  0.35330109
   0.43279193  0.90012833  0.17963270
   0.16849926  0.81300236  0.22678991
   0.34029432  0.66311776  0.44970702
   0.07310044  0.58364293  0.42300938
   0.19064318  0.56707459  0.58576127
   0.36729875  0.71511808  0.77003163
   0.13062079  0.81941933  0.51040377
   0.35518768  1.00955291  0.78844338
   0.47836074  0.91214693  0.63132558
   0.20968878  0.91523264  0.66132419
   0.30473771  0.69833651 -0.04261552
   0.05079945  0.64138549  0.90060034
   0.61728153  0.06565085  0.10495706
   0.86496498  0.18437239  0.25219752
   0.59001843  0.30049580  0.03851914
   0.86067096  0.42720339  0.38922555
   0.04337151  0.39222916  0.19457136
   0.78890603  0.40006036  0.14251605
   0.72857484  0.15697812  0.40807877
   0.48534741  0.12757401  0.44163951
   0.68259434  0.08571313  0.58909590
   0.85005939  0.20740629  0.78956682
   0.60379745  0.32769157  0.53237454
   0.88049746  0.46494955  0.84268847
   0.98381383  0.41275296  0.66345210
   0.71322893  0.41486016  0.68948378
   0.77719638  0.12228532  0.95588974
   0.51394112  0.07757020  0.93887322
   0.57906964  0.55013127  0.06901178
   0.89807819  0.69709888  0.29919375
   0.61536730  0.81344538  0.05287449
   0.89148091  0.95215366  0.35655577
   0.91620386  0.87276555  0.17121513
   0.68522739  0.86131414  0.24031150
   0.80546973  0.67450718  0.46990709
   0.58030634  0.56252050  0.38486784
   0.61287884  0.60228605  0.56753358
   0.83883850  0.70009527  0.78291414
   0.59201258  0.81372326  0.43888515
   0.93042342  0.95235259  0.83530692
   0.95369761  0.85414752  0.65644526
   0.70963726  0.93435170  0.74066674
   0.80014122  0.65310977  0.97261980
   0.55288543  0.65199077  0.89857467
   0.69093904  0.82532238  0.57821943
   0.49902258  0.82535632  0.42423008
   0.93945732  0.19595207  0.09113761
   0.93420406  0.37642969  0.35627094
   0.32005828  0.14022603  0.60882960
   0.39007190  0.75695668  0.71463513
   0.18830834  1.09707114  0.16833135
   0.26255278  1.09574244  0.02308916
   0.66238714  0.36256330  0.86685345
   0.88672555  0.45712034  0.63394074
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895512    0.137365   -0.057864
    -0.000000    9.776918    0.195245
    -0.000000    0.000000   14.054173
   Si   O    H 
    32    64    10
Direct configuration=  1788
   0.17837293  0.19585876 -0.03037417
   0.36004025  0.08345067  0.36983043
   0.15684428  0.43396279  0.11354347
   0.39397034  0.34338241  0.25684545
   0.09810384  0.17595057  0.48631745
   0.40384663  0.12942846  0.85460360
   0.13716850  0.41906735  0.62394029
   0.37875018  0.39177742  0.75633021
   0.15017803  0.70317918 -0.01230794
   0.42365717  0.58082781  0.36012015
   0.06815695  0.90050230  0.14047960
   0.32810834  0.83363557  0.25707736
   0.18472703  0.66443098  0.49238130
   0.39494498  0.63988844  0.87239170
   0.07753960  0.90728697  0.59773958
   0.34604778  1.00024771  0.67205393
   0.63361759  0.14683977  1.00735483
   0.86626786  0.12587910  0.35664738
   0.63180507  0.40956446  0.11723296
   0.91528384  0.28652219  0.17184676
   0.62082312  0.17489730  0.49990482
   0.90243598  0.10706217  0.87695247
   0.59001504  0.45172260  0.61454050
   0.77200738  0.35000310  0.79626737
   0.63446693  0.67292069 -0.00334794
   0.90614558  0.59202301  0.39315568
   0.59211082  0.91242576  0.14765082
   0.84234164  0.84572431  0.27148865
   0.64447246  0.66556901  0.46489658
   0.88856487  0.61598737  0.88041684
   0.64013669  0.94061511  0.63122564
   0.86015274  0.86124100  0.75139897
   0.09216199  0.06152504  0.15423443
   0.35482882  0.18447015  0.27771073
   0.15543308  0.34153010  0.02166412
   0.35901113  0.42958648  0.35290737
   0.56162097  0.36214171  0.22106173
   0.30508886  0.40188226  0.16964192
   0.22478297  0.09555536  0.43334874
  -0.00151064  0.20995084  0.39622339
   0.03251081  0.06277230  0.56036169
   0.45830899  0.23836572  0.76728688
   0.15370073  0.31934128  0.52350354
   0.36905441  0.48375265  0.84979577
   0.44813150  0.46526430  0.66379349
   0.22588878  0.36625592  0.71385600
   0.28125976  0.23290957 -0.11788375
   0.05105659  0.12514824  0.91821116
   0.14550845  0.59729178  0.08612902
   0.38487011  0.67917502  0.27319244
   0.11125091  0.85093812  0.03215592
   0.37124569  0.91792053  0.35408046
   0.43120328  0.89965009  0.18122688
   0.16834131  0.81056688  0.22772945
   0.33901965  0.66440127  0.45020604
   0.07551290  0.58530727  0.42338194
   0.18958539  0.56801833  0.58652508
   0.36677667  0.71490510  0.76845223
   0.13107662  0.81882679  0.51041045
   0.35666605  1.00844664  0.78910911
   0.47573154  0.91295667  0.63099008
   0.21194029  0.91665924  0.66017632
   0.30713131  0.69724163 -0.04255816
   0.04917726  0.63999454  0.90181372
   0.61708456  0.06579406  0.10613155
   0.86484460  0.18543882  0.25210647
   0.59150096  0.29962481  0.04063615
   0.86045238  0.42868319  0.38927979
   0.04296940  0.39071891  0.19496303
   0.78981921  0.40090353  0.14235240
   0.72976836  0.15544142  0.40854385
   0.48552634  0.12858903  0.44102346
   0.67965484  0.08515512  0.58848346
   0.85065247  0.20673720  0.79017443
   0.60293706  0.32796794  0.53208574
   0.88139381  0.46282112  0.84272731
   0.98306280  0.41143115  0.66380077
   0.71274559  0.41622542  0.68924867
   0.77692269  0.12015166  0.95600215
   0.51350775  0.07879249  0.93858663
   0.57863119  0.55049021  0.06957551
   0.89791073  0.69535858  0.29842964
   0.61691674  0.81333403  0.05214967
   0.89323495  0.95212150  0.35588777
   0.91644292  0.87244437  0.17162464
   0.68449680  0.86136063  0.24005738
   0.80592648  0.67302361  0.46897599
   0.57809417  0.56194371  0.38547319
   0.61112029  0.60408606  0.56781909
   0.83934973  0.70110073  0.78411951
   0.59224129  0.81394893  0.43856510
   0.93075032  0.94937347  0.83461125
   0.95394573  0.85431040  0.65719215
   0.70881942  0.93541420  0.74051616
   0.79740768  0.65083845  0.97354057
   0.55218123  0.65179815  0.89845615
   0.70034207  0.83464523  0.57745113
   0.49342492  0.82269847  0.42345240
   0.93778655  0.19704409  0.09440332
   0.93634488  0.37182579  0.35999651
   0.32454841  0.13558373  0.61028840
   0.40646758  0.75883114  0.70357616
   0.17975418  1.09005098  0.16961269
   0.26541655  1.09029147  0.02100368
   0.65494360  0.36415316  0.86569630
   0.89442123  0.45239948  0.63662068
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896409    0.135806   -0.059754
    -0.000000    9.773117    0.194397
    -0.000000    0.000000   14.053400
   Si   O    H 
    32    64    10
Direct configuration=  1789
   0.17883985  0.19545160 -0.03085344
   0.35981640  0.08307734  0.36934909
   0.15743252  0.43481507  0.11331843
   0.39312875  0.34388051  0.25652949
   0.09754188  0.17650243  0.48614786
   0.40422992  0.12811692  0.85407785
   0.13756819  0.41883374  0.62505309
   0.37867137  0.39229052  0.75600058
   0.15055330  0.70369100 -0.01232118
   0.42422608  0.57989512  0.35964991
   0.06767989  0.89993026  0.13974863
   0.32665159  0.83318700  0.25682782
   0.18573879  0.66393939  0.49234745
   0.39576218  0.64082738  0.87147464
   0.07842633  0.90783914  0.59767723
   0.34639547  0.99980050  0.67326275
   0.63348410  0.14664877  1.00715710
   0.86604064  0.12607006  0.35639397
   0.63154431  0.41021553  0.11805867
   0.91463858  0.28675225  0.17234080
   0.62045826  0.17479336  0.49965817
   0.90113938  0.10851606  0.87707466
   0.59027101  0.45212928  0.61392847
   0.77172165  0.35193220  0.79607013
   0.63298397  0.67371466 -0.00394226
   0.90643287  0.59247674  0.39316770
   0.59228723  0.91047431  0.14839314
   0.84260661  0.84496802  0.27127661
   0.64527090  0.66508423  0.46430665
   0.88878041  0.61563893  0.87993534
   0.64013597  0.93999931  0.63050352
   0.86042489  0.86088367  0.75138186
   0.09088120  0.06406332  0.15402436
   0.35502483  0.18515174  0.27664183
   0.15890398  0.34244806  0.02111132
   0.35848769  0.43069411  0.35366159
   0.56103156  0.36244803  0.22185808
   0.30597900  0.40020505  0.16969105
   0.22540446  0.09477353  0.43360106
  -0.00140374  0.20935399  0.39571454
   0.03317621  0.06198321  0.56093446
   0.45669945  0.23767328  0.76716384
   0.15502736  0.31938025  0.52221661
   0.36791041  0.48389316  0.84838154
   0.44798517  0.46482884  0.66399636
   0.22493062  0.36768215  0.71377959
   0.28128633  0.23178288 -0.11751269
   0.05100802  0.12347767  0.91874592
   0.14635385  0.59794669  0.08602706
   0.38375830  0.67922132  0.27415695
   0.11125143  0.85069527  0.03265290
   0.36955274  0.91863495  0.35492832
   0.42999583  0.89838405  0.18267946
   0.16851033  0.80860993  0.22802898
   0.33779698  0.66548973  0.45034148
   0.07732153  0.58714584  0.42357189
   0.18840192  0.56942010  0.58773837
   0.36652060  0.71471256  0.76671386
   0.13213075  0.81921926  0.51016527
   0.35791070  1.00680689  0.78976654
   0.47402582  0.91307005  0.63040836
   0.21363515  0.91800466  0.65919342
   0.30906583  0.69657647 -0.04244463
   0.04766001  0.63915573  0.90307199
   0.61709160  0.06577901  0.10769771
   0.86522092  0.18670936  0.25179858
   0.59269108  0.29871912  0.04231197
   0.86114469  0.43017763  0.38925693
   0.04325578  0.38951996  0.19484643
   0.79072696  0.40141458  0.14237685
   0.73075473  0.15459155  0.40937252
   0.48615927  0.12962441  0.44032922
   0.67758341  0.08519815  0.58796879
   0.85064981  0.20605081  0.79073944
   0.60232519  0.32827016  0.53122571
   0.88193178  0.45999274  0.84315607
   0.98167931  0.41043749  0.66371525
   0.71304552  0.41770525  0.68879039
   0.77686423  0.11809405  0.95642639
   0.51297925  0.07996718  0.93847504
   0.57906461  0.55061614  0.07036725
   0.89737531  0.69370581  0.29780103
   0.61854432  0.81404441  0.05165309
   0.89461181  0.95226191  0.35532226
   0.91624069  0.87249393  0.17195609
   0.68350231  0.86170318  0.24001372
   0.80691150  0.67093850  0.46816318
   0.57639066  0.56134027  0.38624070
   0.60925626  0.60535914  0.56842947
   0.83975600  0.70154681  0.78502637
   0.59211101  0.81473127  0.43816483
   0.93133439  0.94625260  0.83408931
   0.95435587  0.85496237  0.65789315
   0.70763919  0.93645986  0.74008051
   0.79539993  0.64853931  0.97449775
   0.55167733  0.65122429  0.89872972
   0.71136673  0.84490844  0.57585552
   0.49682326  0.82237601  0.42459161
   0.93745269  0.19877332  0.09616579
   0.93947564  0.37003099  0.36296819
   0.33161514  0.12842640  0.61397204
   0.41768798  0.75522380  0.70196960
   0.17960679  1.08320427  0.17121849
   0.26253624  1.08726881  0.01974417
   0.64946295  0.36460259  0.86139721
   0.90687522  0.44618845  0.64233979
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897673    0.134240   -0.061909
    -0.000000    9.769435    0.193461
    -0.000000    0.000000   14.052540
   Si   O    H 
    32    64    10
Direct configuration=  1790
   0.17951845  0.19447389 -0.03175357
   0.35955690  0.08313313  0.36912120
   0.15866274  0.43565730  0.11342827
   0.39244204  0.34457920  0.25611409
   0.09752227  0.17706687  0.48572418
   0.40446032  0.12719498  0.85342028
   0.13732191  0.41875318  0.62564768
   0.37894081  0.39232987  0.75524431
   0.15070600  0.70465419 -0.01189455
   0.42433901  0.57920809  0.35969235
   0.06815542  0.89975730  0.13905725
   0.32527563  0.83242797  0.25652742
   0.18646389  0.66364578  0.49176743
   0.39553924  0.64191579  0.87032953
   0.07890823  0.90806500  0.59753274
   0.34684280  0.99987476  0.67456692
   0.63285573  0.14657283  1.00698061
   0.86558692  0.12534222  0.35640568
   0.63130932  0.41087773  0.11888808
   0.91424944  0.28692586  0.17229273
   0.62052157  0.17415181  0.49880929
   0.89983052  0.10901066  0.87677477
   0.59125275  0.45250240  0.61326891
   0.77188519  0.35383814  0.79559847
   0.63130585  0.67445657 -0.00434336
   0.90707926  0.59304901  0.39306129
   0.59209195  0.90814341  0.14907829
   0.84337734  0.84395535  0.27117105
   0.64562746  0.66469975  0.46337359
   0.88873200  0.61435753  0.87979917
   0.63978059  0.93956365  0.63014628
   0.86055944  0.86072685  0.75186952
   0.08890038  0.06656061  0.15313426
   0.35613535  0.18517967  0.27553994
   0.16217916  0.34324597  0.02068850
   0.35826361  0.43161242  0.35433324
   0.55957750  0.36229711  0.22216774
   0.30654611  0.39816276  0.16960137
   0.22522858  0.09343272  0.43409811
  -0.00143761  0.20824430  0.39514000
   0.03414179  0.06104606  0.56150011
   0.45603854  0.23705165  0.76711139
   0.15622809  0.32007254  0.52204496
   0.36687488  0.48357629  0.84749743
   0.44775052  0.46507466  0.66393954
   0.22484875  0.36855796  0.71358430
   0.28123106  0.23070179 -0.11774970
   0.05010027  0.12143890  0.91962928
   0.14727492  0.59915493  0.08614277
   0.38220094  0.67957365  0.27504190
   0.11085475  0.85101214  0.03353391
   0.36726114  0.91935207  0.35549579
   0.42988331  0.89637138  0.18380519
   0.16764127  0.80785027  0.22816047
   0.33759513  0.66612313  0.45003705
   0.07799300  0.58905313  0.42336788
   0.18652352  0.57123578  0.58894395
   0.36619685  0.71518431  0.76470765
   0.13198500  0.81961149  0.50982148
   0.35846529  1.00525818  0.79033587
   0.47226588  0.91331599  0.62958558
   0.21435603  0.91908099  0.65859848
   0.31054189  0.69589825 -0.04183728
   0.04597340  0.63805689  0.90478611
   0.61715286  0.06583843  0.10890647
   0.86644606  0.18693672  0.25123506
   0.59338904  0.29681351  0.04336674
   0.86183608  0.43206734  0.38905652
   0.04307513  0.38724295  0.19464240
   0.79123461  0.40195577  0.14264624
   0.73116090  0.15403531  0.41081928
   0.48695877  0.13042384  0.43866781
   0.67578831  0.08548634  0.58704260
   0.85045103  0.20519161  0.79096359
   0.60148717  0.32928984  0.53082192
   0.88196869  0.45717025  0.84327478
   0.98196130  0.40863919  0.66372839
   0.71342361  0.41856566  0.68928715
   0.77720586  0.11566378  0.95631231
   0.51282209  0.08166775  0.93857036
   0.57928214  0.55058525  0.07157504
   0.89738629  0.69246899  0.29707004
   0.61952170  0.81540123  0.05175911
   0.89618218  0.95187885  0.35429808
   0.91630917  0.87213644  0.17214710
   0.68245379  0.86098403  0.23966028
   0.80727304  0.66853191  0.46666379
   0.57525201  0.56120373  0.38694336
   0.60761145  0.60728691  0.56889759
   0.83993463  0.70169600  0.78558739
   0.59209558  0.81584773  0.43767154
   0.93094050  0.94388568  0.83434826
   0.95459267  0.85571441  0.65815971
   0.70644690  0.93644777  0.73923833
   0.79384053  0.64733755  0.97534836
   0.55112996  0.65083779  0.89849196
   0.72341528  0.85058891  0.57221546
   0.49451234  0.82651569  0.42457251
   0.93678627  0.19901460  0.09320537
   0.93824788  0.37079820  0.36842143
   0.33626210  0.11949730  0.61751838
   0.42574993  0.74601838  0.70895601
   0.18445633  1.07642518  0.17458732
   0.26055251  1.08943679  0.01697395
   0.64507081  0.36147947  0.85437439
   0.89905945  0.44774545  0.63872817
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898804    0.132609   -0.063786
    -0.000000    9.765999    0.192244
    -0.000000    0.000000   14.051156
   Si   O    H 
    32    64    10
Direct configuration=  1791
   0.18008902  0.19402020 -0.03290214
   0.35903321  0.08342590  0.36895878
   0.15971021  0.43686713  0.11416978
   0.39192854  0.34514433  0.25561056
   0.09685432  0.17764636  0.48523515
   0.40494433  0.12626431  0.85286332
   0.13642891  0.41884086  0.62578531
   0.37879599  0.39218135  0.75435716
   0.15124694  0.70552960 -0.01122564
   0.42308594  0.57884029  0.35964378
   0.06878054  0.89914345  0.13840790
   0.32417944  0.83186755  0.25635618
   0.18694861  0.66286116  0.49133688
   0.39572799  0.64326761  0.86900272
   0.07866399  0.90794229  0.59741147
   0.34810240  1.00005406  0.67583739
   0.63175520  0.14598863  1.00695112
   0.86604939  0.12448685  0.35638154
   0.63050702  0.41110918  0.12002646
   0.91398358  0.28786243  0.17199704
   0.62065969  0.17289497  0.49747632
   0.89866631  0.10907245  0.87638096
   0.59245944  0.45295116  0.61253861
   0.77163159  0.35586894  0.79473256
   0.62984108  0.67538513 -0.00510609
   0.90772993  0.59339739  0.39281188
   0.59147567  0.90616179  0.14944210
   0.84377535  0.84363862  0.27122224
   0.64569787  0.66420432  0.46254123
   0.88773880  0.61218012  0.87964091
   0.63920090  0.93937510  0.62993147
   0.86048939  0.86070212  0.75263516
   0.08788985  0.06890511  0.15311674
   0.35753878  0.18587281  0.27501745
   0.16487285  0.34432993  0.01999359
   0.35762924  0.43196084  0.35476764
   0.55840060  0.36135713  0.22207222
   0.30637478  0.39635061  0.16920097
   0.22459971  0.09221359  0.43440379
  -0.00189511  0.20682178  0.39452277
   0.03483714  0.05986003  0.56197462
   0.45448306  0.23709997  0.76684054
   0.15650358  0.32116271  0.52190787
   0.36562498  0.48264536  0.84659602
   0.44787591  0.46553436  0.66388491
   0.22497556  0.36881117  0.71395955
   0.28091981  0.22933407 -0.11773135
   0.04899050  0.12022403  0.92081932
   0.14786908  0.60006968  0.08579582
   0.38119182  0.68032210  0.27532839
   0.11010049  0.85150907  0.03462361
   0.36536131  0.91978704  0.35598261
   0.43053735  0.89462823  0.18431266
   0.16679220  0.80809684  0.22788490
   0.33754916  0.66798370  0.44955758
   0.07886116  0.59159716  0.42265420
   0.18493204  0.57275828  0.59044275
   0.36613405  0.71510691  0.76299166
   0.13101093  0.82022073  0.50980149
   0.35888121  1.00341460  0.79043127
   0.47020953  0.91337157  0.62857805
   0.21489572  0.91926367  0.65790219
   0.31157958  0.69537154 -0.04120987
   0.04493079  0.63732789  0.90628723
   0.61702927  0.06527667  0.11059890
   0.86693938  0.18717508  0.25150295
   0.59418668  0.29431212  0.04378624
   0.86344587  0.43439793  0.38955583
   0.04388036  0.38515199  0.19471000
   0.79195235  0.40247859  0.14245240
   0.73126741  0.15335369  0.41215672
   0.48790046  0.13117206  0.43702191
   0.67477865  0.08551566  0.58651729
   0.85027562  0.20428176  0.79110406
   0.60121155  0.33057085  0.53087139
   0.88186279  0.45498046  0.84346098
   0.98256826  0.40702048  0.66393206
   0.71368396  0.41949718  0.69037853
   0.77779434  0.11383665  0.95593965
   0.51304806  0.08369494  0.93875003
   0.57944680  0.55190032  0.07293616
   0.89714147  0.69113424  0.29652560
   0.62042269  0.81656223  0.05134263
   0.89767824  0.95187820  0.35315183
   0.91654903  0.87136902  0.17134669
   0.68176706  0.85964657  0.23925238
   0.80790172  0.66676886  0.46496058
   0.57468364  0.56150718  0.38755863
   0.60583032  0.60914467  0.56961998
   0.84113798  0.70114700  0.78675167
   0.59126361  0.81670967  0.43663772
   0.93032578  0.94204927  0.83486553
   0.95444565  0.85599825  0.65772313
   0.70515020  0.93671323  0.73818147
   0.79230391  0.64603919  0.97593810
   0.55074863  0.65053142  0.89816616
   0.73054514  0.85432166  0.57025575
   0.49294931  0.83221220  0.42569947
   0.93827312  0.20103849  0.08936525
   0.93553619  0.37361017  0.37583897
   0.33839089  0.11985485  0.61690032
   0.42976104  0.73659809  0.72040551
   0.18290845  1.07250117  0.17748682
   0.25809837  1.09139220  0.01681417
   0.64571170  0.35642604  0.85019489
   0.89136640  0.44940681  0.63530177
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900194    0.130993   -0.065733
    -0.000000    9.762800    0.191444
    -0.000000    0.000000   14.049920
   Si   O    H 
    32    64    10
Direct configuration=  1792
   0.18024238  0.19393518 -0.03400324
   0.35925673  0.08353826  0.36882830
   0.16042909  0.43746860  0.11547578
   0.39179880  0.34577596  0.25518118
   0.09680267  0.17839088  0.48472032
   0.40554221  0.12542962  0.85215856
   0.13569634  0.41903056  0.62561254
   0.37828810  0.39126899  0.75360238
   0.15176529  0.70580347 -0.01027882
   0.42102275  0.57849943  0.35997698
   0.06962760  0.89917308  0.13841921
   0.32340114  0.83119435  0.25631045
   0.18721662  0.66194367  0.49117825
   0.39614442  0.64410344  0.86739310
   0.07847905  0.90754844  0.59736909
   0.34852962  1.00022869  0.67713845
   0.63050327  0.14526699  1.00733768
   0.86698165  0.12367049  0.35610912
   0.62987307  0.41065962  0.12091870
   0.91371636  0.28874733  0.17132213
   0.62048985  0.17231950  0.49616879
   0.89767342  0.10810315  0.87631925
   0.59347593  0.45315257  0.61187955
   0.77104268  0.35767336  0.79387470
   0.62855247  0.67640393 -0.00532775
   0.90852959  0.59358932  0.39194417
   0.59005840  0.90472648  0.14937728
   0.84405266  0.84351132  0.27123563
   0.64558849  0.66323519  0.46201045
   0.88632477  0.61088439  0.87947060
   0.63797366  0.93918732  0.62932765
   0.85997607  0.86083879  0.75303390
   0.08764183  0.07076238  0.15327459
   0.35937745  0.18577430  0.27548609
   0.16640473  0.34471675  0.01935914
   0.35579052  0.43222228  0.35463897
   0.55759415  0.36105827  0.22253346
   0.30571449  0.39577244  0.16849735
   0.22393491  0.09178548  0.43445812
  -0.00342563  0.20515195  0.39384228
   0.03581541  0.05901803  0.56278619
   0.45250886  0.23809623  0.76592242
   0.15629262  0.32246875  0.52125404
   0.36464337  0.48192871  0.84658187
   0.44831611  0.46509235  0.66388076
   0.22496184  0.36893441  0.71442878
   0.28008640  0.22843486 -0.11787009
   0.04852790  0.11869773  0.92195927
   0.14813523  0.60184160  0.08532661
   0.38039646  0.68063719  0.27486597
   0.11016074  0.85220449  0.03575028
   0.36466211  0.91991480  0.35609985
   0.43173499  0.89404473  0.18450742
   0.16575442  0.80835438  0.22710158
   0.33755602  0.67055865  0.44908598
   0.07981779  0.59376767  0.42214820
   0.18297802  0.57422185  0.59227630
   0.36349509  0.71505440  0.76164558
   0.13049684  0.81971299  0.50947428
   0.35928698  1.00104507  0.79082208
   0.46844119  0.91368758  0.62756614
   0.21441086  0.91845552  0.65732979
   0.31238824  0.69412259 -0.04042244
   0.04457161  0.63714476  0.90810744
   0.61735106  0.06507805  0.11214977
   0.86623071  0.18766805  0.25193209
   0.59447103  0.29215724  0.04392111
   0.86480269  0.43732559  0.38973389
   0.04506752  0.38315252  0.19398443
   0.79253198  0.40241510  0.14238294
   0.73096032  0.15316911  0.41304308
   0.48780274  0.13206739  0.43532649
   0.67442504  0.08613104  0.58596836
   0.84991616  0.20351150  0.79151122
   0.60106522  0.33174459  0.53112650
   0.88167077  0.45290629  0.84347677
   0.98237311  0.40660968  0.66332197
   0.71438635  0.41995188  0.69185745
   0.77666038  0.11273008  0.95576682
   0.51278942  0.08619529  0.93894924
   0.57932614  0.55301155  0.07385777
   0.89733741  0.68941181  0.29563530
   0.62046446  0.81716781  0.05096102
   0.89862040  0.95201146  0.35185298
   0.91664797  0.87103073  0.17083548
   0.68104446  0.85893526  0.23920413
   0.80838114  0.66624921  0.46377420
   0.57596502  0.56244816  0.38837455
   0.60358096  0.60975557  0.57090538
   0.84232698  0.70139945  0.78849753
   0.59042572  0.81749310  0.43575468
   0.93030290  0.94165337  0.83597370
   0.95432006  0.85623049  0.65756863
   0.70481029  0.93731338  0.73679648
   0.79088961  0.64367933  0.97720088
   0.55064115  0.65100608  0.89740272
   0.73475482  0.85393672  0.57040691
   0.49373869  0.83895376  0.42750212
   0.93608559  0.20734422  0.08401529
   0.93777918  0.37025589  0.38256583
   0.33993966  0.12405991  0.61527309
   0.44438618  0.73492128  0.72356097
   0.18089204  1.07340618  0.18031909
   0.25521006  1.08862417  0.02038577
   0.64776477  0.34774447  0.84752312
   0.89723461  0.44668329  0.63519044
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901473    0.129803   -0.067819
    -0.000000    9.759944    0.190297
    -0.000000    0.000000   14.048113
   Si   O    H 
    32    64    10
Direct configuration=  1793
   0.18047859  0.19381200 -0.03487303
   0.35923101  0.08318974  0.36905683
   0.16076195  0.43780707  0.11654202
   0.39166718  0.34625268  0.25493016
   0.09736970  0.17826324  0.48463433
   0.40605980  0.12487492  0.85140559
   0.13521753  0.41923590  0.62519391
   0.37740566  0.38965224  0.75285874
   0.15219395  0.70621883 -0.00926501
   0.41916248  0.57832564  0.36061802
   0.07004869  0.89918775  0.13854569
   0.32206356  0.83047860  0.25661090
   0.18710681  0.66173934  0.49084410
   0.39598979  0.64476250  0.86603621
   0.07856726  0.90677990  0.59747485
   0.34856012  1.00085367  0.67839147
   0.62919083  0.14497182  1.00799361
   0.86718515  0.12299488  0.35552471
   0.62913299  0.40954883  0.12160868
   0.91375189  0.29009130  0.17065579
   0.62099321  0.17187433  0.49498641
   0.89731932  0.10659135  0.87658535
   0.59431578  0.45356902  0.61156844
   0.77062477  0.35923602  0.79283087
   0.62785179  0.67679532 -0.00479153
   0.90996101  0.59473949  0.39095322
   0.58891889  0.90319741  0.14890402
   0.84392982  0.84394932  0.27167583
   0.64529259  0.66165798  0.46153297
   0.88491518  0.60942387  0.87978524
   0.63641280  0.93890720  0.62870703
   0.85976332  0.86023503  0.75370586
   0.08790305  0.07157073  0.15334841
   0.36055090  0.18640564  0.27641675
   0.16796876  0.34362362  0.01882641
   0.35376366  0.43269422  0.35451453
   0.55673560  0.36078000  0.22303820
   0.30421915  0.39623138  0.16759374
   0.22353145  0.09137331  0.43470045
  -0.00431839  0.20415401  0.39324580
   0.03688890  0.05922274  0.56300035
   0.45058491  0.23830955  0.76509342
   0.15662021  0.32357803  0.52076723
   0.36355347  0.48143860  0.84701183
   0.44862860  0.46356008  0.66369484
   0.22455827  0.36887934  0.71497942
   0.27994504  0.22716449 -0.11822321
   0.04866743  0.11861155  0.92359717
   0.14774338  0.60272416  0.08541224
   0.37953808  0.68030467  0.27461204
   0.11048010  0.85255092  0.03693621
   0.36384209  0.92004375  0.35572465
   0.43313178  0.89336488  0.18484646
   0.16480569  0.80960734  0.22576687
   0.33803700  0.67267214  0.44844075
   0.07995541  0.59557068  0.42151604
   0.18182185  0.57557874  0.59381482
   0.36082225  0.71451617  0.76066365
   0.13008046  0.81870690  0.50844933
   0.36025096  0.99931636  0.79176208
   0.46763817  0.91349606  0.62725903
   0.21376556  0.91764898  0.65720471
   0.31231760  0.69314802 -0.03974739
   0.04440098  0.63687206  0.91076301
   0.61721035  0.06458089  0.11365876
   0.86496740  0.18829619  0.25210981
   0.59464329  0.29079923  0.04434725
   0.86551732  0.43979125  0.38960829
   0.04503115  0.38164279  0.19283286
   0.79298605  0.40241527  0.14178097
   0.73097549  0.15326531  0.41318546
   0.48844048  0.13258141  0.43424863
   0.67484278  0.08632650  0.58578110
   0.84923111  0.20339799  0.79177253
   0.60043540  0.33306356  0.53138397
   0.88125901  0.45177098  0.84400470
   0.98168197  0.40654643  0.66284030
   0.71479506  0.42138847  0.69347015
   0.77606436  0.11226733  0.95581030
   0.51251474  0.08904911  0.93861076
   0.57912685  0.55396603  0.07441875
   0.89726720  0.68758492  0.29426417
   0.62063302  0.81918221  0.05071952
   0.89930412  0.95280875  0.35076305
   0.91724067  0.87063817  0.17061281
   0.68057106  0.85802556  0.23911201
   0.80815366  0.66527880  0.46204137
   0.57694657  0.56285480  0.38890659
   0.60205062  0.61034318  0.57220414
   0.84331225  0.70146575  0.78979747
   0.59113614  0.81829512  0.43533421
   0.93099307  0.94225103  0.83703519
   0.95352876  0.85573260  0.65782399
   0.70434673  0.93763131  0.73502200
   0.78997348  0.64147273  0.97792483
   0.55105736  0.65138173  0.89724903
   0.73523209  0.85517342  0.57187229
   0.49627543  0.84358424  0.42794510
   0.93026668  0.21286159  0.08234364
   0.94026183  0.36624414  0.38738711
   0.33904168  0.13239638  0.61529670
   0.45529453  0.73753915  0.72729502
   0.17413611  1.07862130  0.17828010
   0.25643549  1.08467463  0.02465485
   0.65045763  0.33904980  0.84523157
   0.90866021  0.43939391  0.63735091
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902382    0.128433   -0.069942
    -0.000000    9.757040    0.189681
    -0.000000    0.000000   14.046031
   Si   O    H 
    32    64    10
Direct configuration=  1794
   0.18093651  0.19398937 -0.03484394
   0.35904721  0.08351725  0.36942613
   0.16201221  0.43746685  0.11735316
   0.39174011  0.34737627  0.25487007
   0.09795398  0.17758729  0.48471098
   0.40734311  0.12487573  0.85132164
   0.13534330  0.41959399  0.62447674
   0.37620848  0.38779774  0.75192934
   0.15227264  0.70615390 -0.00807446
   0.41713333  0.57848889  0.36146393
   0.07059072  0.89888857  0.13902528
   0.32058050  0.82971783  0.25692810
   0.18696891  0.66228020  0.49049759
   0.39574960  0.64447179  0.86469294
   0.07826649  0.90604483  0.59710569
   0.34840166  1.00175785  0.67910962
   0.62754932  0.14413382  1.00876804
   0.86665161  0.12099092  0.35472592
   0.62920637  0.40805356  0.12204891
   0.91413083  0.29161160  0.16940806
   0.62097709  0.17168392  0.49433530
   0.89742773  0.10553495  0.87666978
   0.59435254  0.45410983  0.61104594
   0.77000542  0.36046330  0.79194348
   0.62707353  0.67703835 -0.00361538
   0.91218212  0.59547010  0.38995953
   0.58775235  0.90246055  0.14834440
   0.84320831  0.84479331  0.27232715
   0.64513263  0.66105419  0.46137954
   0.88406949  0.60791128  0.88057771
   0.63501646  0.93849989  0.62799639
   0.85915564  0.86013257  0.75406143
   0.08793084  0.07202076  0.15341996
   0.36099524  0.18757942  0.27719660
   0.16963801  0.34253341  0.01887998
   0.35152896  0.43251273  0.35373536
   0.55603357  0.36079765  0.22333546
   0.30333782  0.39674960  0.16618664
   0.22261515  0.09110337  0.43520759
  -0.00467236  0.20425088  0.39309021
   0.03741973  0.05970698  0.56330676
   0.44819775  0.23873187  0.76424881
   0.15688864  0.32538024  0.52045800
   0.36293649  0.48117550  0.84742686
   0.44864353  0.46227171  0.66341688
   0.22363942  0.36936677  0.71521282
   0.28047144  0.22562832 -0.11905218
   0.04925123  0.11760254  0.92504523
   0.14786791  0.60182118  0.08565658
   0.37843098  0.67878043  0.27431933
   0.11064642  0.85273663  0.03804413
   0.36250155  0.92036912  0.35489942
   0.43436526  0.89292347  0.18464626
   0.16457334  0.81138179  0.22395678
   0.33944129  0.67431472  0.44746536
   0.07934926  0.59679205  0.42067693
   0.18010724  0.57628067  0.59485794
   0.35896015  0.71362414  0.75988415
   0.12935693  0.81784546  0.50720463
   0.36084096  0.99698769  0.79269718
   0.46788209  0.91355540  0.62673302
   0.21277481  0.91680269  0.65780857
   0.31246842  0.69334875 -0.03936246
   0.04450760  0.63722582  0.91278217
   0.61590677  0.06370511  0.11484171
   0.86381975  0.18961724  0.25262958
   0.59550260  0.29027387  0.04427685
   0.86665893  0.44148740  0.38926762
   0.04509459  0.38079292  0.19228078
   0.79346216  0.40280573  0.14124669
   0.73162474  0.15451796  0.41294166
   0.48921518  0.13243501  0.43331088
   0.67551586  0.08757740  0.58575134
   0.84816947  0.20438963  0.79214612
   0.60006294  0.33426352  0.53191414
   0.88048702  0.45126179  0.84460530
   0.98237714  0.40623863  0.66243584
   0.71521752  0.42256933  0.69526736
   0.77451775  0.11176926  0.95605765
   0.51190826  0.09135315  0.93802462
   0.57820435  0.55470526  0.07503671
   0.89634791  0.68558983  0.29304351
   0.62037727  0.82137832  0.05035837
   0.89981127  0.95422095  0.34994140
   0.91806414  0.87054449  0.16996286
   0.68065536  0.85666772  0.23942656
   0.80764188  0.66459646  0.46081671
   0.57784371  0.56302592  0.38909854
   0.60131762  0.61053046  0.57297874
   0.84419488  0.70208465  0.79118887
   0.59219062  0.81894119  0.43459881
   0.93178422  0.94311417  0.83814378
   0.95263335  0.85578782  0.65778473
   0.70359963  0.93739069  0.73343459
   0.79010593  0.63957341  0.97856702
   0.55157429  0.65212352  0.89661987
   0.73345629  0.85467847  0.57156996
   0.49987504  0.84687544  0.42726157
   0.92632646  0.21486833  0.08047855
   0.94065251  0.36421700  0.39437165
   0.33342970  0.13592609  0.61752773
   0.45352728  0.74067270  0.73150373
   0.17800827  1.08960272  0.17888682
   0.25719683  1.08564477  0.02850797
   0.64923734  0.33276522  0.84632679
   0.89533369  0.44568397  0.63009936
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903124    0.127117   -0.071803
    -0.000000    9.754006    0.189043
    -0.000000    0.000000   14.043745
   Si   O    H 
    32    64    10
Direct configuration=  1795
   0.18101778  0.19426588 -0.03460279
   0.35888536  0.08374701  0.37028930
   0.16259012  0.43693131  0.11800475
   0.39199504  0.34874146  0.25449392
   0.09811962  0.17742240  0.48481371
   0.40899108  0.12568376  0.85108569
   0.13632673  0.41994169  0.62363669
   0.37509125  0.38666263  0.75110670
   0.15147442  0.70588478 -0.00734318
   0.41524822  0.57884922  0.36270368
   0.07060578  0.89902537  0.14050077
   0.31940671  0.82898114  0.25731036
   0.18712056  0.66298765  0.49017535
   0.39487752  0.64370117  0.86348071
   0.07850161  0.90596684  0.59629165
   0.34858732  1.00226116  0.67969222
   0.62698048  0.14270811  1.00927274
   0.86667314  0.11872713  0.35402767
   0.62930452  0.40664518  0.12218521
   0.91418670  0.29321592  0.16860059
   0.62111739  0.17207824  0.49394017
   0.89740304  0.10386074  0.87718952
   0.59471055  0.45459603  0.61078176
   0.76974799  0.36162700  0.79130713
   0.62683714  0.67682829 -0.00238228
   0.91423960  0.59608576  0.38923317
   0.58668071  0.90162889  0.14760087
   0.84289399  0.84614408  0.27246305
   0.64516266  0.66081033  0.46159309
   0.88380403  0.60669650  0.88137374
   0.63427736  0.93826002  0.62741870
   0.85719221  0.85966720  0.75452029
   0.08837660  0.07213916  0.15357394
   0.36135136  0.18777373  0.27776511
   0.17050199  0.34034203  0.01891545
   0.34976937  0.43189369  0.35248489
   0.55505149  0.36116393  0.22342526
   0.30251001  0.39736520  0.16548907
   0.22147691  0.09116474  0.43540455
  -0.00447169  0.20457136  0.39381705
   0.03814185  0.06059302  0.56320796
   0.44678237  0.23869209  0.76380720
   0.15601584  0.32646229  0.52114913
   0.36226133  0.48114936  0.84804345
   0.44810171  0.46111655  0.66309722
   0.22200566  0.36974173  0.71530831
   0.28158288  0.22340830 -0.12026066
   0.04947929  0.11656222  0.92657362
   0.14753218  0.60023477  0.08607214
   0.37695498  0.67694029  0.27374990
   0.11136293  0.85215286  0.03892114
   0.36174170  0.92052158  0.35407176
   0.43562026  0.89207027  0.18367006
   0.16442807  0.81311467  0.22267630
   0.34084625  0.67476602  0.44597568
   0.07808224  0.59817083  0.41986005
   0.17768909  0.57728477  0.59574752
   0.35778024  0.71340739  0.75875746
   0.12821723  0.81705783  0.50609623
   0.36151742  0.99433717  0.79406226
   0.46914925  0.91276123  0.62626908
   0.21246950  0.91514002  0.65859279
   0.31201651  0.69345912 -0.03949080
   0.04516410  0.63713614  0.91394329
   0.61537617  0.06235212  0.11555950
   0.86183487  0.19137676  0.25292901
   0.59616667  0.29063068  0.04440182
   0.86790924  0.44278146  0.38898171
   0.04505137  0.37978133  0.19126779
   0.79375279  0.40332137  0.14074619
   0.73263072  0.15572324  0.41282788
   0.48869601  0.13249081  0.43268856
   0.67543707  0.08929921  0.58585906
   0.84664690  0.20617204  0.79218543
   0.59974226  0.33458774  0.53245714
   0.87959221  0.45032929  0.84528909
   0.98226304  0.40627417  0.66142562
   0.71532833  0.42381047  0.69616732
   0.77278255  0.11075034  0.95662925
   0.51178419  0.09296556  0.93724827
   0.57781171  0.55546363  0.07527893
   0.89546657  0.68382626  0.29221505
   0.61972752  0.82331710  0.04979512
   0.89938754  0.95512290  0.34920984
   0.91841552  0.86994657  0.16895984
   0.68052768  0.85588493  0.23953043
   0.80725861  0.66469034  0.46007197
   0.57786719  0.56311811  0.38907161
   0.60085793  0.61107546  0.57268321
   0.84457431  0.70340630  0.79228955
   0.59384282  0.81907682  0.43376735
   0.93261735  0.94407620  0.83925543
   0.95191831  0.85697807  0.65763749
   0.70373840  0.93742830  0.73224867
   0.79022442  0.63735482  0.97880158
   0.55250703  0.65366335  0.89551525
   0.72994777  0.84910638  0.57403097
   0.49982328  0.85019856  0.42422245
   0.92581470  0.21513184  0.07820285
   0.93592858  0.36665278  0.39866772
   0.33175574  0.13543785  0.62341103
   0.44271391  0.74332574  0.73779262
   0.18022541  1.10416926  0.18135613
   0.25567913  1.09075593  0.03329100
   0.64583284  0.32813507  0.85021673
   0.89242172  0.44983123  0.62526264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904131    0.125764   -0.073380
    -0.000000    9.751534    0.188679
    -0.000000    0.000000   14.041507
   Si   O    H 
    32    64    10
Direct configuration=  1796
   0.18084193  0.19464192 -0.03418718
   0.35867746  0.08369026  0.37126809
   0.16294536  0.43651795  0.11846073
   0.39285432  0.34977463  0.25422577
   0.09880284  0.17785318  0.48517079
   0.40966712  0.12671095  0.85063846
   0.13733688  0.42024505  0.62298818
   0.37338987  0.38554125  0.75095952
   0.15088930  0.70552762 -0.00666661
   0.41356254  0.57952393  0.36405994
   0.07065716  0.89942969  0.14219777
   0.31904243  0.82835673  0.25698826
   0.18675085  0.66345444  0.48992103
   0.39385116  0.64258590  0.86227453
   0.07813267  0.90597422  0.59557500
   0.34816302  1.00201591  0.68032562
   0.62659971  0.14134744  1.00986098
   0.86583652  0.11717339  0.35364564
   0.62973477  0.40593305  0.12201917
   0.91398575  0.29456592  0.16713148
   0.62141188  0.17292621  0.49372316
   0.89678106  0.10241660  0.87818588
   0.59474788  0.45550048  0.61066406
   0.76964509  0.36200435  0.79147741
   0.62673333  0.67613364 -0.00118468
   0.91628387  0.59696091  0.38889433
   0.58596028  0.90138390  0.14657225
   0.84279630  0.84639842  0.27257526
   0.64499728  0.66106331  0.46214850
   0.88379972  0.60597987  0.88246416
   0.63425752  0.93795624  0.62653802
   0.85546045  0.85973774  0.75499212
   0.08945992  0.07203938  0.15366751
   0.36215682  0.18694984  0.27841067
   0.17111223  0.33813405  0.01915610
   0.34860441  0.43152562  0.35083807
   0.55301699  0.36112422  0.22345029
   0.30107285  0.39784554  0.16485948
   0.22130816  0.09070015  0.43543980
  -0.00395306  0.20446201  0.39523159
   0.03848755  0.06192972  0.56304514
   0.44559216  0.23836217  0.76334359
   0.15536749  0.32709149  0.52243824
   0.36109194  0.48071887  0.84874323
   0.44723045  0.46006954  0.66216974
   0.22038439  0.36972005  0.71527058
   0.28303388  0.22101714 -0.12140603
   0.05010061  0.11612969  0.92757291
   0.14705995  0.59838513  0.08676120
   0.37677123  0.67562521  0.27294894
   0.11211169  0.85151778  0.03924378
   0.36054031  0.91993340  0.35297435
   0.43555524  0.89049037  0.18287683
   0.16498304  0.81423549  0.22206300
   0.34263512  0.67533697  0.44449676
   0.07719508  0.59968805  0.41872435
   0.17501659  0.57865747  0.59605016
   0.35656286  0.71353431  0.75828127
   0.12708422  0.81659633  0.50481344
   0.36167400  0.99198845  0.79537707
   0.47015932  0.91160533  0.62598599
   0.21218231  0.91341723  0.65939583
   0.31177905  0.69424075 -0.03999197
   0.04559687  0.63715119  0.91571941
   0.61585402  0.06047868  0.11572177
   0.85985088  0.19363125  0.25280390
   0.59674198  0.29128433  0.04443294
   0.86884795  0.44433054  0.38879294
   0.04605285  0.37803801  0.19015919
   0.79435634  0.40436647  0.13999203
   0.73412536  0.15607658  0.41302739
   0.48708590  0.13236771  0.43200287
   0.67517174  0.09086842  0.58570216
   0.84544915  0.20797953  0.79182638
   0.59907578  0.33404131  0.53245217
   0.87899226  0.45034139  0.84621374
   0.98021124  0.40697460  0.66025160
   0.71527027  0.42502549  0.69627548
   0.77202690  0.10965410  0.95653846
   0.51190306  0.09509498  0.93630121
   0.57720085  0.55586193  0.07528034
   0.89461158  0.68335457  0.29136137
   0.61902022  0.82410897  0.04901895
   0.89948641  0.95587972  0.34868821
   0.91879798  0.86977603  0.16842534
   0.68124911  0.85504674  0.23984720
   0.80764310  0.66479733  0.45950475
   0.57849713  0.56255578  0.38900726
   0.60130072  0.61200972  0.57236782
   0.84490751  0.70445503  0.79281205
   0.59621839  0.81920953  0.43375596
   0.93404416  0.94448005  0.84095656
   0.95102248  0.85786286  0.65805991
   0.70459931  0.93655244  0.73148747
   0.79010287  0.63538395  0.97906365
   0.55373117  0.65605564  0.89450866
   0.72045462  0.84347271  0.57675925
   0.49990258  0.84984705  0.41890859
   0.92459206  0.21660686  0.07747562
   0.93065331  0.36768917  0.40225717
   0.32656727  0.13255507  0.62993595
   0.43516142  0.75172859  0.74044160
   0.17428673  1.11647386  0.17935816
   0.25128233  1.09798960  0.03719568
   0.64527374  0.32551899  0.85261141
   0.90323742  0.44807494  0.62763440
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905001    0.125113   -0.075106
    -0.000000    9.749398    0.188560
    -0.000000    0.000000   14.039236
   Si   O    H 
    32    64    10
Direct configuration=  1797
   0.18048222  0.19504223 -0.03367628
   0.35866331  0.08364879  0.37200076
   0.16242140  0.43640045  0.11860337
   0.39395842  0.35039037  0.25401855
   0.09939934  0.17820080  0.48609629
   0.40989270  0.12790847  0.85021144
   0.13795908  0.42088551  0.62249087
   0.37202967  0.38473569  0.75098904
   0.14989814  0.70451389 -0.00595450
   0.41195227  0.58061419  0.36510430
   0.07112909  0.90075972  0.14379608
   0.31933649  0.82754844  0.25668242
   0.18623778  0.66319207  0.48996059
   0.39285092  0.64153097  0.86123741
   0.07770900  0.90578131  0.59525043
   0.34716431  1.00189666  0.68086323
   0.62691496  0.14027829  1.01039195
   0.86496544  0.11580988  0.35339370
   0.63028919  0.40555402  0.12194014
   0.91331739  0.29556709  0.16583276
   0.62215265  0.17395289  0.49364135
   0.89622271  0.10066933  0.87922937
   0.59466618  0.45599972  0.61015866
   0.76970518  0.36206462  0.79160374
   0.62688942  0.67470559 -0.00036944
   0.91878300  0.59769303  0.38880267
   0.58579482  0.90135770  0.14564230
   0.84247401  0.84666435  0.27232352
   0.64501480  0.66207949  0.46283460
   0.88378132  0.60535485  0.88352392
   0.63446075  0.93714013  0.62522897
   0.85390542  0.85988184  0.75515172
   0.09130107  0.07214520  0.15374653
   0.36290701  0.18694862  0.27872491
   0.17093121  0.33601683  0.01967210
   0.34767510  0.43099723  0.34906209
   0.55116781  0.36065129  0.22303152
   0.30072234  0.39753088  0.16481352
   0.22124324  0.09043166  0.43534902
  -0.00358602  0.20381748  0.39681553
   0.03853827  0.06337297  0.56291145
   0.44559910  0.23821404  0.76305088
   0.15396186  0.32751799  0.52414934
   0.35997231  0.48044000  0.84928398
   0.44624242  0.45943907  0.66164764
   0.21948428  0.36991792  0.71530763
   0.28441670  0.21980135 -0.12231761
   0.05009998  0.11529563  0.92875416
   0.14707261  0.59614531  0.08688187
   0.37692835  0.67500124  0.27212179
   0.11198074  0.85034625  0.03963731
   0.35946508  0.91960382  0.35202162
   0.43494689  0.88875028  0.18234986
   0.16524155  0.81529831  0.22159283
   0.34353646  0.67538283  0.44342822
   0.07542527  0.60060294  0.41795456
   0.17244142  0.58076673  0.59614962
   0.35469028  0.71402196  0.75871830
   0.12556224  0.81662472  0.50364124
   0.36188440  0.98974587  0.79696641
   0.47176251  0.91127968  0.62515598
   0.21172318  0.91251262  0.66051516
   0.31209861  0.69568524 -0.03985644
   0.04560574  0.63784653  0.91713440
   0.61656424  0.05852554  0.11572676
   0.85765500  0.19651294  0.25309731
   0.59685559  0.29271400  0.04485591
   0.86903360  0.44528723  0.38867284
   0.04736663  0.37630893  0.18946168
   0.79397241  0.40566954  0.13952693
   0.73591070  0.15693292  0.41270345
   0.48578200  0.13142058  0.43177406
   0.67463057  0.09206490  0.58619083
   0.84446347  0.20967743  0.79178421
   0.59801254  0.33368553  0.53253962
   0.87825141  0.45017503  0.84721741
   0.97781542  0.40822550  0.65951843
   0.71482952  0.42631986  0.69593318
   0.77043932  0.10878106  0.95657096
   0.51259276  0.09610444  0.93585923
   0.57688106  0.55641342  0.07552091
   0.89355506  0.68327710  0.29030221
   0.61803068  0.82359973  0.04850774
   0.89918250  0.95653732  0.34842247
   0.91906794  0.86949846  0.16793431
   0.68191527  0.85450045  0.24005240
   0.80742385  0.66453078  0.45947775
   0.57902125  0.56154649  0.38920083
   0.60245121  0.61236848  0.57149205
   0.84528046  0.70537445  0.79285873
   0.59899493  0.81979631  0.43325993
   0.93492251  0.94564595  0.84269985
   0.94880987  0.85801195  0.65883536
   0.70501881  0.93538571  0.73081925
   0.78981482  0.63410520  0.97895396
   0.55404198  0.65948558  0.89376640
   0.70745314  0.83778357  0.57891131
   0.50478461  0.84886976  0.41343591
   0.92559024  0.22053890  0.07667252
   0.92632455  0.36774021  0.40643226
   0.32428123  0.13025424  0.63669219
   0.43987032  0.76922063  0.73792851
   0.16224955  1.12386040  0.17627459
   0.24361509  1.10554664  0.03625338
   0.64956841  0.32404826  0.85372486
   0.91322271  0.44786616  0.63045959
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906138    0.124388   -0.077067
    -0.000000    9.747196    0.188493
    -0.000000    0.000000   14.037195
   Si   O    H 
    32    64    10
Direct configuration=  1798
   0.18022505  0.19511868 -0.03343151
   0.35818595  0.08385855  0.37282597
   0.16188804  0.43639893  0.11857992
   0.39525135  0.35055417  0.25404428
   0.10032371  0.17871579  0.48741672
   0.41030961  0.12899792  0.84972638
   0.13870565  0.42130578  0.62171315
   0.37059440  0.38449418  0.75095829
   0.14931370  0.70376388 -0.00574807
   0.41126198  0.58142666  0.36613467
   0.07181323  0.90257117  0.14587033
   0.31987831  0.82699684  0.25629668
   0.18575695  0.66376221  0.48994976
   0.39159399  0.64018038  0.86014822
   0.07732144  0.90572284  0.59462546
   0.34681885  1.00140828  0.68128026
   0.62669597  0.13940515  1.01063758
   0.86451542  0.11487599  0.35333990
   0.63150447  0.40524616  0.12168659
   0.91250404  0.29616057  0.16419458
   0.62237640  0.17529139  0.49316153
   0.89598638  0.09932325  0.88014142
   0.59439504  0.45617677  0.60985344
   0.76967815  0.36182453  0.79223063
   0.62780731  0.67334923  0.00060583
   0.92091130  0.59870286  0.38850907
   0.58557090  0.90155600  0.14442093
   0.84222117  0.84662324  0.27172062
   0.64434391  0.66348885  0.46372695
   0.88410129  0.60502559  0.88470752
   0.63476626  0.93618422  0.62385965
   0.85257775  0.86075139  0.75506495
   0.09240526  0.07181460  0.15359134
   0.36339031  0.18671377  0.27812132
   0.17063813  0.33426511  0.02020371
   0.34752150  0.43110186  0.34758187
   0.54967232  0.36061564  0.22257691
   0.30142959  0.39747536  0.16449408
   0.22120009  0.09106983  0.43546098
  -0.00289549  0.20346960  0.39838599
   0.03888239  0.06448623  0.56250954
   0.44646389  0.23867039  0.76284816
   0.15293081  0.32773367  0.52596622
   0.35829972  0.48071028  0.84978078
   0.44563030  0.45914016  0.66112424
   0.21880494  0.36993162  0.71520334
   0.28507360  0.21920041 -0.12337962
   0.04924800  0.11536876  0.92985269
   0.14715691  0.59414299  0.08630901
   0.37685390  0.67451087  0.27171495
   0.11202977  0.85026532  0.03982583
   0.35845482  0.91918857  0.35122554
   0.43419899  0.88734690  0.18224121
   0.16538351  0.81742656  0.22109994
   0.34387079  0.67562374  0.44306270
   0.07388842  0.60117019  0.41724755
   0.17067108  0.58259314  0.59596698
   0.35482105  0.71494628  0.75925301
   0.12387768  0.81661328  0.50245849
   0.36190063  0.98770292  0.79821778
   0.47237741  0.91165064  0.62426143
   0.21090988  0.91209272  0.66152177
   0.31281341  0.69734254 -0.03998791
   0.04541149  0.63853358  0.91833251
   0.61726216  0.05683421  0.11578580
   0.85638837  0.19839267  0.25293835
   0.59694912  0.29488057  0.04510643
   0.86885930  0.44592376  0.38765219
   0.04805547  0.37489570  0.18939206
   0.79341517  0.40835260  0.13940739
   0.73688813  0.15809400  0.41305212
   0.48461333  0.12952607  0.43144352
   0.67351518  0.09270118  0.58626241
   0.84436926  0.21077492  0.79220582
   0.59802080  0.33295782  0.53244275
   0.87762922  0.45078685  0.84830856
   0.97768662  0.40825565  0.65939491
   0.71380903  0.42760123  0.69466735
   0.76934821  0.10850183  0.95646474
   0.51302709  0.09689478  0.93540825
   0.57636168  0.55698454  0.07561538
   0.89158821  0.68485942  0.28945720
   0.61710448  0.82307107  0.04804724
   0.89881655  0.95691711  0.34787481
   0.91963953  0.86963766  0.16779869
   0.68209072  0.85390408  0.24080107
   0.80683934  0.66427527  0.45877932
   0.57890809  0.56105336  0.38873228
   0.60309661  0.61301990  0.56996207
   0.84556064  0.70613704  0.79271844
   0.60043549  0.82004572  0.43312198
   0.93505936  0.94647187  0.84346174
   0.94721574  0.85833788  0.66027684
   0.70565610  0.93355407  0.72975705
   0.78912238  0.63300507  0.97890350
   0.55422534  0.66270691  0.89313147
   0.69731962  0.83114005  0.57921324
   0.51426073  0.84761331  0.40798081
   0.92535704  0.22209274  0.07754955
   0.92139492  0.36494483  0.41097445
   0.32763375  0.13285219  0.64272113
   0.43664666  0.78018881  0.73760323
   0.15875782  1.13225231  0.17440408
   0.24255137  1.11078430  0.03675380
   0.65561743  0.32612617  0.85259278
   0.89634634  0.45925621  0.61842792
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907010    0.123491   -0.079191
    -0.000000    9.745310    0.188901
    -0.000000    0.000000   14.034906
   Si   O    H 
    32    64    10
Direct configuration=  1799
   0.17935006  0.19477354 -0.03323149
   0.35764674  0.08386871  0.37371761
   0.16211271  0.43617331  0.11829482
   0.39558949  0.35009085  0.25403111
   0.10140094  0.17936158  0.48886297
   0.40988666  0.12974712  0.84921509
   0.13843372  0.42147956  0.62137090
   0.36918292  0.38402045  0.75122933
   0.14896675  0.70324275 -0.00559455
   0.41094075  0.58238140  0.36686183
   0.07250974  0.90501094  0.14759612
   0.32060044  0.82634373  0.25570502
   0.18509924  0.66472151  0.49008615
   0.39019115  0.63945898  0.85973507
   0.07721084  0.90634186  0.59403076
   0.34597833  1.00000020  0.68138935
   0.62668757  0.13859357  1.01109513
   0.86415031  0.11476184  0.35328586
   0.63229644  0.40524378  0.12169779
   0.91153837  0.29667121  0.16256415
   0.62260287  0.17693459  0.49264767
   0.89558686  0.09856780  0.88074547
   0.59307933  0.45604764  0.60996019
   0.76918165  0.36140802  0.79276555
   0.62854476  0.67202463  0.00152585
   0.92276300  0.59975131  0.38783930
   0.58628367  0.90148871  0.14398755
   0.84143153  0.84687998  0.27070668
   0.64358725  0.66460845  0.46459787
   0.88454186  0.60546585  0.88596501
   0.63515451  0.93611552  0.62276942
   0.85233320  0.86187283  0.75493036
   0.09335578  0.07124356  0.15338857
   0.36289807  0.18683179  0.27730832
   0.16966382  0.33344753  0.02054937
   0.34751140  0.43162496  0.34663462
   0.54838066  0.35929772  0.22209240
   0.30267166  0.39799390  0.16432346
   0.22087516  0.09248244  0.43594624
  -0.00264471  0.20343417  0.39913971
   0.03911597  0.06514414  0.56213469
   0.44798060  0.23883233  0.76241368
   0.15227990  0.32782017  0.52832006
   0.35632589  0.48107372  0.85052431
   0.44664056  0.45868445  0.65993333
   0.21803087  0.37001769  0.71426891
   0.28575822  0.21829157 -0.12353307
   0.04827142  0.11613697  0.93052953
   0.14601284  0.59228736  0.08596435
   0.37598874  0.67393224  0.27120749
   0.11138807  0.85011105  0.03989965
   0.35736211  0.91869617  0.35098174
   0.43334131  0.88673764  0.18180714
   0.16616697  0.81982400  0.22126523
   0.34321721  0.67537337  0.44353224
   0.07330843  0.60122846  0.41671915
   0.16871626  0.58449096  0.59598722
   0.35534485  0.71556563  0.75951192
   0.12262816  0.81736859  0.50159797
   0.36162734  0.98602513  0.79911476
   0.47283884  0.91214277  0.62339390
   0.20954896  0.91163308  0.66247318
   0.31278493  0.69764901 -0.03988091
   0.04436590  0.63939695  0.91927296
   0.61738076  0.05539522  0.11573540
   0.85535683  0.20038519  0.25242779
   0.59632405  0.29687771  0.04502621
   0.86844370  0.44595178  0.38744671
   0.04917563  0.37285536  0.19003188
   0.79304081  0.41198051  0.13918450
   0.73722049  0.15893332  0.41330940
   0.48370600  0.12792657  0.43108391
   0.67258053  0.09296714  0.58631229
   0.84445581  0.21141814  0.79258710
   0.59818115  0.33274043  0.53207909
   0.87767716  0.45166068  0.85008237
   0.97730796  0.40911787  0.65891923
   0.71176941  0.42867710  0.69282396
   0.76889890  0.10809419  0.95604567
   0.51378148  0.09680585  0.93520502
   0.57634711  0.55716201  0.07533308
   0.88967987  0.68775551  0.28897004
   0.61606814  0.82165267  0.04762895
   0.89799997  0.95674222  0.34742575
   0.92121082  0.86964548  0.16782591
   0.68162752  0.85427647  0.24182300
   0.80635690  0.66387078  0.45877027
   0.57896978  0.56065587  0.38832856
   0.60407289  0.61286755  0.56910693
   0.84573009  0.70609648  0.79305002
   0.60162014  0.81959015  0.43264134
   0.93483347  0.94663745  0.84391480
   0.94596801  0.85837377  0.66159871
   0.70660641  0.93205298  0.72867193
   0.78838585  0.63141637  0.97876892
   0.55405162  0.66620620  0.89236691
   0.69185767  0.82044669  0.57698046
   0.52066455  0.84867951  0.40074481
   0.92304215  0.22411853  0.07623223
   0.91914322  0.36262730  0.41470376
   0.32891827  0.14325562  0.64431711
   0.42261166  0.78535321  0.73876724
   0.16157467  1.14224537  0.17449597
   0.24566130  1.10991043  0.03888166
   0.66200886  0.33354742  0.85317689
   0.89347438  0.46239732  0.61417225
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907565    0.122159   -0.081331
    -0.000000    9.743564    0.189602
    -0.000000    0.000000   14.032532
   Si   O    H 
    32    64    10
Direct configuration=  1800
   0.17887286  0.19453880 -0.03317548
   0.35730681  0.08414315  0.37402649
   0.16227709  0.43542739  0.11728632
   0.39574958  0.34925319  0.25364533
   0.10156163  0.18000080  0.48974192
   0.40930936  0.12982051  0.84874743
   0.13797157  0.42182893  0.62124215
   0.36816075  0.38286603  0.75166632
   0.14898922  0.70272957 -0.00552572
   0.41118543  0.58333722  0.36728108
   0.07330576  0.90674553  0.14924058
   0.32182229  0.82595343  0.25523204
   0.18509149  0.66594956  0.49080921
   0.38877780  0.63881724  0.85954498
   0.07686435  0.90709200  0.59351708
   0.34554827  0.99884098  0.68157416
   0.62690617  0.13749551  1.01205627
   0.86429345  0.11489370  0.35289639
   0.63285132  0.40566230  0.12171792
   0.90994744  0.29648757  0.16127676
   0.62280919  0.17867465  0.49202794
   0.89536769  0.09787986  0.88131673
   0.59258124  0.45589278  0.60993868
   0.76835889  0.36037487  0.79321740
   0.62940035  0.67103875  0.00181964
   0.92362837  0.60052405  0.38731912
   0.58702331  0.90088857  0.14332500
   0.84090742  0.84722496  0.26930561
   0.64284456  0.66579837  0.46509057
   0.88474481  0.60581653  0.88678456
   0.63496194  0.93579985  0.62181183
   0.85240518  0.86354431  0.75488735
   0.09450683  0.07091934  0.15365295
   0.36218882  0.18678780  0.27688716
   0.16851900  0.33279574  0.02094315
   0.34745062  0.43278659  0.34624044
   0.54848970  0.35766713  0.22138911
   0.30392772  0.39779635  0.16396785
   0.22090406  0.09440369  0.43606308
  -0.00250534  0.20249910  0.39976612
   0.03949211  0.06615491  0.56144948
   0.44939146  0.23942529  0.76261819
   0.15134573  0.32728550  0.53050919
   0.35468428  0.48131025  0.85074352
   0.44656331  0.45865557  0.65813626
   0.21810090  0.37034032  0.71288730
   0.28568268  0.21778489 -0.12356541
   0.04690033  0.11671281  0.93062194
   0.14544233  0.59054293  0.08567863
   0.37539296  0.67366841  0.27063192
   0.11094885  0.85010280  0.04002126
   0.35615586  0.91817407  0.35021454
   0.43207494  0.88706420  0.18138561
   0.16681280  0.82125116  0.22196089
   0.34193164  0.67563984  0.44454907
   0.07351265  0.60173676  0.41638180
   0.16666057  0.58613168  0.59631331
   0.35559948  0.71668842  0.76005504
   0.12214685  0.81870602  0.50110007
   0.36192611  0.98531872  0.80006013
   0.47324895  0.91310875  0.62311376
   0.20804149  0.91149538  0.66309231
   0.31168338  0.69749478 -0.03969577
   0.04272974  0.64017721  0.91990380
   0.61694738  0.05490620  0.11556780
   0.85477999  0.20233861  0.25096608
   0.59586860  0.29773414  0.04456688
   0.86841547  0.44516551  0.38726356
   0.05046811  0.37073605  0.19129742
   0.79256831  0.41568328  0.13917853
   0.73738640  0.16012592  0.41352247
   0.48357230  0.12663636  0.43108316
   0.67175853  0.09275506  0.58652246
   0.84421561  0.21165074  0.79230543
   0.59886528  0.33239747  0.53184310
   0.87883339  0.45259405  0.85164790
   0.97682795  0.41057729  0.65821606
   0.70978891  0.43014640  0.69103623
   0.76948809  0.10718175  0.95626219
   0.51421641  0.09691557  0.93459846
   0.57601605  0.55675356  0.07512905
   0.88834153  0.69072813  0.28881383
   0.61567875  0.82023436  0.04713543
   0.89793604  0.95564894  0.34720004
   0.92236057  0.86914346  0.16796423
   0.68071660  0.85402558  0.24276218
   0.80629435  0.66432315  0.45931975
   0.57802084  0.55987554  0.38738161
   0.60442179  0.61326888  0.56871437
   0.84591057  0.70499668  0.79328911
   0.60233247  0.81871752  0.43208179
   0.93477570  0.94648340  0.84410140
   0.94533841  0.85850026  0.66226130
   0.70807212  0.93013225  0.72728547
   0.78762753  0.63032306  0.97873746
   0.55297424  0.66984417  0.89164081
   0.69065612  0.81088188  0.57330656
   0.52097124  0.84984438  0.39524041
   0.92023383  0.22316329  0.07489028
   0.91451851  0.36453822  0.41530936
   0.33144238  0.14713917  0.64727013
   0.40738235  0.78446276  0.73707919
   0.16162796  1.14463520  0.17473537
   0.24967477  1.10430390  0.04093056
   0.65668272  0.34116638  0.85609023
   0.90066454  0.45640322  0.61699056
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907683    0.119806   -0.083153
    -0.000000    9.741919    0.190394
    -0.000000    0.000000   14.029934
   Si   O    H 
    32    64    10
Direct configuration=  1801
   0.17784012  0.19410835 -0.03291432
   0.35704121  0.08386775  0.37412265
   0.16238633  0.43440307  0.11644566
   0.39550789  0.34820593  0.25336037
   0.10209141  0.18090535  0.48997406
   0.40876792  0.12938233  0.84853364
   0.13738906  0.42244787  0.62098030
   0.36710025  0.38191210  0.75206746
   0.14953139  0.70254205 -0.00489876
   0.41142776  0.58410976  0.36766107
   0.07437589  0.90808564  0.15056783
   0.32308704  0.82539934  0.25512130
   0.18438020  0.66726119  0.49208076
   0.38777636  0.63807126  0.85978854
   0.07650866  0.90795716  0.59317957
   0.34514903  0.99785688  0.68106851
   0.62697585  0.13631564  1.01272841
   0.86472797  0.11524944  0.35276187
   0.63293868  0.40643464  0.12171670
   0.90849050  0.29674077  0.15983136
   0.62299061  0.17983153  0.49139938
   0.89494955  0.09767004  0.88180721
   0.59200242  0.45512779  0.60959392
   0.76748484  0.35941588  0.79357032
   0.62992112  0.67050260  0.00168224
   0.92372415  0.60089288  0.38724749
   0.58789656  0.90083756  0.14271411
   0.84018668  0.84715200  0.26783177
   0.64249147  0.66748396  0.46563719
   0.88589753  0.60656511  0.88761810
   0.63511368  0.93557780  0.62093330
   0.85270271  0.86438278  0.75489658
   0.09574892  0.07088017  0.15408418
   0.36183579  0.18656210  0.27647487
   0.16697489  0.33361313  0.02115662
   0.34695561  0.43409849  0.34642384
   0.55002381  0.35673314  0.22063602
   0.30568285  0.39769327  0.16410529
   0.22149447  0.09674531  0.43616289
  -0.00249002  0.20126773  0.39987294
   0.03926593  0.06777423  0.56106293
   0.45102860  0.23975591  0.76255772
   0.15060255  0.32621975  0.53261831
   0.35292231  0.48041062  0.85057182
   0.44670713  0.45884590  0.65647853
   0.21825941  0.37029960  0.71247224
   0.28446341  0.21651889 -0.12292190
   0.04497086  0.11683416  0.93056848
   0.14384657  0.58897804  0.08598629
   0.37492618  0.67327962  0.27035782
   0.10991656  0.84918904  0.03989698
   0.35464375  0.91697511  0.34936863
   0.43071130  0.88739251  0.18087621
   0.16656447  0.82277485  0.22228632
   0.33903977  0.67651885  0.44653986
   0.07486733  0.60184635  0.41606436
   0.16552572  0.58760940  0.59638934
   0.35513615  0.71564928  0.76103019
   0.12131540  0.81988275  0.50095877
   0.36202520  0.98446258  0.80057214
   0.47370275  0.91458313  0.62248105
   0.20712689  0.91180494  0.66292445
   0.30995176  0.69776847 -0.03979426
   0.04023683  0.64134014  0.91983572
   0.61640659  0.05535953  0.11489691
   0.85499498  0.20371235  0.24981339
   0.59531763  0.29788655  0.04337036
   0.86905655  0.44474194  0.38661659
   0.05170349  0.36880916  0.19228085
   0.79241654  0.41919517  0.13908196
   0.73778852  0.16075410  0.41447620
   0.48416812  0.12602307  0.43151696
   0.67073294  0.09252521  0.58672091
   0.84460248  0.21095021  0.79180274
   0.59923374  0.33329916  0.53198691
   0.87954655  0.45307770  0.85345569
   0.97717105  0.41228906  0.65738688
   0.70745846  0.43134120  0.68929378
   0.77002476  0.10666717  0.95637956
   0.51403766  0.09687385  0.93375669
   0.57609741  0.55633299  0.07492198
   0.88633191  0.69252248  0.28926380
   0.61561958  0.81836635  0.04639021
   0.89678309  0.95504475  0.34722203
   0.92260531  0.86912968  0.16785440
   0.67909091  0.85272318  0.24345326
   0.80595619  0.66444801  0.45883701
   0.57615649  0.55973975  0.38632894
   0.60446320  0.61359457  0.56837092
   0.84636296  0.70371096  0.79441766
   0.60223564  0.81840169  0.43130587
   0.93430003  0.94602054  0.84429482
   0.94577698  0.85810194  0.66258820
   0.70978696  0.92949146  0.72694430
   0.78690079  0.62931574  0.97914741
   0.55146673  0.67381994  0.89156381
   0.68990243  0.80768606  0.57079902
   0.52035822  0.84747639  0.39208231
   0.92054586  0.22090397  0.07246314
   0.91423000  0.36354002  0.41675120
   0.33120535  0.14667093  0.64727223
   0.40203305  0.79721636  0.73126580
   0.15659993  1.13392370  0.17344588
   0.25178702  1.09905777  0.03981057
   0.65064857  0.34986031  0.85997370
   0.91643309  0.44537216  0.62247656
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907324    0.117293   -0.085360
    -0.000000    9.740925    0.191432
    -0.000000    0.000000   14.027742
   Si   O    H 
    32    64    10
Direct configuration=  1802
   0.17718659  0.19351087 -0.03304715
   0.35656886  0.08384113  0.37407495
   0.16256352  0.43279291  0.11544312
   0.39554871  0.34742606  0.25310501
   0.10196319  0.18170610  0.48970769
   0.40901205  0.12891566  0.84826174
   0.13675945  0.42353607  0.62087975
   0.36682904  0.38177801  0.75220736
   0.14994834  0.70182558 -0.00392217
   0.41154281  0.58475938  0.36798492
   0.07541604  0.90916944  0.15167211
   0.32486848  0.82486480  0.25509831
   0.18385689  0.66841228  0.49340197
   0.38784882  0.63810300  0.86020869
   0.07549107  0.90841986  0.59324501
   0.34413264  0.99728858  0.68035655
   0.62698873  0.13556428  1.01379774
   0.86586075  0.11589545  0.35248475
   0.63279507  0.40672410  0.12170098
   0.90728303  0.29679669  0.15865694
   0.62287440  0.18056751  0.49109482
   0.89425559  0.09811024  0.88189164
   0.59130455  0.45423443  0.60946099
   0.76683807  0.35878537  0.79406677
   0.63013055  0.66948834  0.00124440
   0.92331115  0.60094132  0.38670697
   0.58881123  0.90058823  0.14217438
   0.83967161  0.84727012  0.26656539
   0.64312908  0.66877707  0.46640931
   0.88681957  0.60781249  0.88825596
   0.63533443  0.93544194  0.62014491
   0.85378937  0.86523731  0.75514235
   0.09501720  0.06990000  0.15428073
   0.36159486  0.18648811  0.27668936
   0.16512887  0.33529433  0.02126454
   0.34664507  0.43555729  0.34616894
   0.55193953  0.35583676  0.21964536
   0.30664254  0.39795098  0.16392123
   0.22188596  0.09897957  0.43611715
  -0.00295912  0.19973394  0.39971815
   0.03888945  0.06992684  0.56132496
   0.45256946  0.24077813  0.76270417
   0.15013221  0.32514982  0.53411772
   0.35180901  0.47948002  0.85014946
   0.44705644  0.45950255  0.65564945
   0.21838549  0.36942315  0.71211463
   0.28201756  0.21505038 -0.12181741
   0.04232871  0.11831036  0.93056431
   0.14282006  0.58727179  0.08575398
   0.37434054  0.67219803  0.27062264
   0.10994316  0.84793195  0.04061184
   0.35364919  0.91595072  0.34823760
   0.42990547  0.88750459  0.18013508
   0.16666080  0.82348158  0.22317541
   0.33697756  0.67761144  0.44914028
   0.07723492  0.60185812  0.41596825
   0.16461353  0.58914214  0.59626670
   0.35483440  0.71547518  0.76173569
   0.12059936  0.82024527  0.50179842
   0.36232576  0.98381972  0.80110971
   0.47398229  0.91582013  0.62243247
   0.20575001  0.91186121  0.66283619
   0.30900235  0.69838870 -0.04064061
   0.03754169  0.64264697  0.91920783
   0.61648409  0.05637463  0.11379941
   0.85506075  0.20469876  0.24865591
   0.59402815  0.29839025  0.04190293
   0.86979063  0.44469601  0.38581937
   0.05340570  0.36696851  0.19289360
   0.79213955  0.42249371  0.13872006
   0.73848648  0.16130810  0.41588623
   0.48468347  0.12674536  0.43252559
   0.67050875  0.09197196  0.58666505
   0.84544253  0.21049551  0.79170508
   0.59972707  0.33358592  0.53189476
   0.87914233  0.45353340  0.85455152
   0.98010489  0.41220715  0.65726995
   0.70562750  0.43204641  0.68818387
   0.77095326  0.10577580  0.95625531
   0.51355069  0.09708574  0.93283874
   0.57665364  0.55558781  0.07506766
   0.88483966  0.69385554  0.29062856
   0.61580448  0.81734441  0.04525778
   0.89534668  0.95409570  0.34684178
   0.92268544  0.86927479  0.16764852
   0.67795184  0.85170461  0.24374158
   0.80520342  0.66478614  0.45879587
   0.57423893  0.55972916  0.38551410
   0.60425336  0.61363719  0.56877446
   0.84682522  0.70163175  0.79612193
   0.60125125  0.81847742  0.43062517
   0.93367484  0.94517816  0.84436498
   0.94667599  0.85774417  0.66275921
   0.71041824  0.92896114  0.72711801
   0.78623986  0.62854571  0.97968689
   0.54979266  0.67709222  0.89214203
   0.69223909  0.81160700  0.57265340
   0.52658181  0.84329374  0.39367333
   0.92051397  0.21734955  0.07060216
   0.91313453  0.36565969  0.41736761
   0.33294209  0.14213474  0.64524818
   0.39286594  0.80056628  0.73001964
   0.16168805  1.13244573  0.17597894
   0.25246720  1.09614481  0.03502688
   0.64534595  0.35874980  0.86182875
   0.90201967  0.45459114  0.60946787
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907193    0.115225   -0.087422
    -0.000000    9.740336    0.192881
    -0.000000    0.000000   14.024782
   Si   O    H 
    32    64    10
Direct configuration=  1803
   0.17752333  0.19320590 -0.03314172
   0.35648119  0.08397328  0.37416834
   0.16247601  0.43109665  0.11463978
   0.39542834  0.34613493  0.25294955
   0.10145698  0.18255220  0.48937150
   0.40924783  0.12901518  0.84805332
   0.13558639  0.42437511  0.62134210
   0.36638446  0.38228587  0.75252776
   0.15094215  0.70049525 -0.00284472
   0.41143900  0.58535223  0.36790815
   0.07698028  0.91021328  0.15239856
   0.32672489  0.82400564  0.25490363
   0.18350302  0.67012131  0.49479527
   0.38830203  0.63876407  0.86087092
   0.07463872  0.90919057  0.59347748
   0.34347893  0.99672881  0.67975781
   0.62682171  0.13496534  1.01472823
   0.86683310  0.11668437  0.35237785
   0.63258630  0.40760356  0.12175526
   0.90613848  0.29695969  0.15766642
   0.62173295  0.18078034  0.49071581
   0.89326959  0.09866488  0.88194236
   0.59084110  0.45378688  0.60967789
   0.76605894  0.35838912  0.79461457
   0.63000288  0.66827550  0.00058004
   0.92216029  0.60092924  0.38610537
   0.58907847  0.90058310  0.14180480
   0.83934930  0.84765038  0.26588669
   0.64384977  0.66930531  0.46658901
   0.88712522  0.60911533  0.88875827
   0.63573765  0.93576118  0.61924227
   0.85530952  0.86593936  0.75546550
   0.09487932  0.06917424  0.15371378
   0.36149484  0.18503194  0.27663375
   0.16269192  0.33760373  0.02158319
   0.34621522  0.43658731  0.34587233
   0.55390797  0.35505698  0.21854319
   0.30779599  0.39808494  0.16387452
   0.22258562  0.10203231  0.43561816
  -0.00425862  0.19906849  0.39959978
   0.03846213  0.07238386  0.56175294
   0.45504067  0.24168058  0.76317715
   0.14966633  0.32400919  0.53452055
   0.35083662  0.47889491  0.84987468
   0.44716009  0.46073880  0.65505745
   0.21775354  0.36821923  0.71171224
   0.27928542  0.21421932 -0.12014951
   0.03961811  0.12023729  0.93064647
   0.14176064  0.58695531  0.08561266
   0.37399877  0.67108838  0.27108376
   0.10977703  0.84705713  0.04162001
   0.35316150  0.91525239  0.34708360
   0.42970113  0.88785053  0.17930700
   0.16698283  0.82338510  0.22451476
   0.33586789  0.67872017  0.45184567
   0.08029179  0.60213631  0.41579709
   0.16406420  0.59104371  0.59616851
   0.35528232  0.71526097  0.76216709
   0.12058969  0.82136902  0.50282262
   0.36247645  0.98406592  0.80161615
   0.47386107  0.91802058  0.62229550
   0.20370046  0.91208013  0.66270625
   0.30786672  0.69945548 -0.04168971
   0.03571064  0.64378325  0.91872851
   0.61628966  0.05719925  0.11298533
   0.85493658  0.20525888  0.24785735
   0.59268259  0.29840907  0.04071818
   0.87006185  0.44409667  0.38476152
   0.05471537  0.36498436  0.19302319
   0.79227424  0.42545914  0.13869023
   0.73915203  0.16158264  0.41696249
   0.48532928  0.12707908  0.43329483
   0.67036203  0.09091928  0.58715388
   0.84625224  0.20973717  0.79204538
   0.60017816  0.33342915  0.53182221
   0.87826790  0.45336478  0.85527807
   0.98190903  0.41197247  0.65684024
   0.70446570  0.43282945  0.68733037
   0.77136188  0.10499691  0.95647470
   0.51286387  0.09824191  0.93229939
   0.57663239  0.55465174  0.07556489
   0.88375564  0.69525234  0.29224111
   0.61617314  0.81665563  0.04445934
   0.89400701  0.95245779  0.34667944
   0.92152758  0.86989548  0.16732650
   0.67654004  0.85120224  0.24348977
   0.80482162  0.66447850  0.45848632
   0.57185407  0.56051807  0.38473259
   0.60390658  0.61283149  0.56942598
   0.84793493  0.69976062  0.79740367
   0.60053567  0.81874908  0.43069881
   0.93284473  0.94419337  0.84388306
   0.94803786  0.85715322  0.66233257
   0.71053937  0.92897819  0.72664565
   0.78559341  0.62786075  0.98041671
   0.54822610  0.67962901  0.89258779
   0.69608878  0.82164518  0.57624513
   0.52707028  0.84169254  0.39245652
   0.91934037  0.21262530  0.06908319
   0.91300457  0.36972545  0.41754806
   0.33942560  0.13479071  0.64246845
   0.38721826  0.79545812  0.73283086
   0.17039951  1.12908051  0.17652721
   0.25494916  1.09534088  0.02982394
   0.64246092  0.36639559  0.85757347
   0.90017333  0.45503352  0.60320110
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907656    0.112431   -0.088707
    -0.000000    9.739853    0.193661
    -0.000000    0.000000   14.021772
   Si   O    H 
    32    64    10
Direct configuration=  1804
   0.17738275  0.19260866 -0.03297336
   0.35653348  0.08409331  0.37421907
   0.16286824  0.42942315  0.11396818
   0.39547637  0.34475516  0.25297950
   0.10113651  0.18287150  0.48868040
   0.40953861  0.12996290  0.84748378
   0.13438304  0.42562813  0.62175645
   0.36653812  0.38294183  0.75262021
   0.15162958  0.69907093 -0.00179063
   0.41032268  0.58610837  0.36789191
   0.07839755  0.91040750  0.15294335
   0.32784434  0.82393519  0.25446930
   0.18334508  0.67193470  0.49584695
   0.38839448  0.63923524  0.86150821
   0.07286870  0.90970748  0.59331880
   0.34267102  0.99593860  0.67952226
   0.62623790  0.13439461  1.01525017
   0.86826728  0.11718652  0.35258122
   0.63293655  0.40833571  0.12143871
   0.90537567  0.29780857  0.15645368
   0.62038416  0.18087156  0.49039011
   0.89311129  0.09942915  0.88183897
   0.59029883  0.45390892  0.60936675
   0.76539514  0.35865880  0.79471504
   0.62883938  0.66761122 -0.00028053
   0.92109308  0.60111288  0.38538527
   0.58992191  0.90114335  0.14171672
   0.83920231  0.84806785  0.26495864
   0.64466427  0.67000533  0.46624643
   0.88700395  0.61051844  0.88869338
   0.63646765  0.93607679  0.61862707
   0.85723097  0.86596154  0.75585489
   0.09466492  0.06851555  0.15305307
   0.36071505  0.18296518  0.27655375
   0.16057744  0.33882680  0.02179795
   0.34582745  0.43677083  0.34625525
   0.55540929  0.35363450  0.21812374
   0.30800952  0.39780047  0.16348439
   0.22318975  0.10477067  0.43532786
  -0.00596698  0.19863220  0.39970750
   0.03753425  0.07384047  0.56224640
   0.45747215  0.24196134  0.76319191
   0.15005256  0.32244472  0.53417454
   0.34952043  0.47821398  0.84952350
   0.44704601  0.46132621  0.65569870
   0.21682849  0.36800468  0.71169407
   0.27647571  0.21359558 -0.11844214
   0.03645438  0.12217418  0.93048911
   0.14058678  0.58692803  0.08566596
   0.37402153  0.66962385  0.27111831
   0.10861069  0.84576450  0.04281210
   0.35347895  0.91506550  0.34621093
   0.42991887  0.88787049  0.17877794
   0.16745359  0.82264798  0.22589287
   0.33452509  0.67951140  0.45431897
   0.08224623  0.60304324  0.41603812
   0.16317980  0.59244067  0.59644117
   0.35481618  0.71365248  0.76331504
   0.12020064  0.82246741  0.50381653
   0.36257051  0.98452549  0.80199932
   0.47318229  0.92046846  0.62204353
   0.20196468  0.91286321  0.66212416
   0.30611643  0.69929889 -0.04327895
   0.03533469  0.64478465  0.91821894
   0.61637718  0.05701871  0.11182048
   0.85479279  0.20500633  0.24711482
   0.59159263  0.29825256  0.03948866
   0.86900897  0.44371777  0.38333638
   0.05593402  0.36417270  0.19312172
   0.79319589  0.42743139  0.13902564
   0.74025370  0.16204384  0.41776230
   0.48695286  0.12690761  0.43393031
   0.66936591  0.08965133  0.58738183
   0.84593430  0.20844086  0.79255510
   0.59980919  0.33259299  0.53135366
   0.87647519  0.45270747  0.85601769
   0.98259189  0.41154332  0.65646933
   0.70421909  0.43341938  0.68667409
   0.77183364  0.10403929  0.95708860
   0.51296818  0.09889161  0.93159476
   0.57701884  0.55293660  0.07588610
   0.88442276  0.69640961  0.29380751
   0.61630942  0.81656881  0.04416926
   0.89336632  0.95146803  0.34676397
   0.92017479  0.86991170  0.16719191
   0.67545697  0.85081806  0.24272126
   0.80492928  0.66384677  0.45852359
   0.56990893  0.56084230  0.38432001
   0.60362530  0.61143500  0.57004095
   0.84839475  0.69914924  0.79873782
   0.60049679  0.81840827  0.43095945
   0.93198698  0.94323483  0.84304164
   0.94948388  0.85674806  0.66115461
   0.71044970  0.92922639  0.72618465
   0.78507006  0.62776866  0.98093585
   0.54724125  0.68145160  0.89346684
   0.70131572  0.82948378  0.57880028
   0.52102423  0.83959331  0.38989855
   0.91620504  0.21170195  0.07179718
   0.91783491  0.36889402  0.41724715
   0.34238350  0.13065878  0.63998094
   0.38491995  0.79423344  0.73570543
   0.17517912  1.12544966  0.17592767
   0.25655695  1.09420669  0.02727986
   0.64052530  0.36954757  0.85296426
   0.90840317  0.44826649  0.60392691
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907791    0.109455   -0.090058
    -0.000000    9.739315    0.194347
    -0.000000    0.000000   14.018919
   Si   O    H 
    32    64    10
Direct configuration=  1805
   0.17685859  0.19190641 -0.03262467
   0.35608574  0.08390052  0.37413034
   0.16302330  0.42770885  0.11349316
   0.39638489  0.34311466  0.25279154
   0.10119333  0.18313602  0.48812066
   0.40949578  0.13122554  0.84722815
   0.13301141  0.42688065  0.62177788
   0.36753230  0.38333511  0.75233881
   0.15225363  0.69696178 -0.00078913
   0.40962139  0.58755172  0.36798979
   0.07879743  0.90966281  0.15315045
   0.32943759  0.82415977  0.25418560
   0.18284988  0.67286227  0.49653505
   0.38915701  0.64004157  0.86202300
   0.07064901  0.91037379  0.59333271
   0.34183491  0.99519939  0.67914639
   0.62508796  0.13468051  1.01534499
   0.86951750  0.11808251  0.35247240
   0.63304371  0.40842997  0.12140477
   0.90454681  0.29908628  0.15526806
   0.61885603  0.18044191  0.49045814
   0.89253342  0.10032005  0.88204865
   0.58954615  0.45385380  0.60914380
   0.76478033  0.35892249  0.79452112
   0.62826605  0.66622005 -0.00141450
   0.92028386  0.60084487  0.38497705
   0.59030495  0.90175332  0.14196219
   0.83878252  0.84865271  0.26387517
   0.64558462  0.67040311  0.46581741
   0.88718000  0.61146148  0.88875083
   0.63679583  0.93680734  0.61843573
   0.85866196  0.86571927  0.75622944
   0.09492528  0.06896456  0.15249282
   0.35959892  0.18057175  0.27631858
   0.15826917  0.33889811  0.02252017
   0.34530203  0.43680126  0.34631320
   0.55646285  0.35171363  0.21787663
   0.30900267  0.39862017  0.16342114
   0.22332581  0.10774525  0.43551450
  -0.00716772  0.19825270  0.39957317
   0.03633840  0.07498535  0.56309599
   0.46054581  0.24174064  0.76370117
   0.14974383  0.32063257  0.53357295
   0.34813797  0.47793763  0.84886134
   0.44622420  0.46169990  0.65683273
   0.21561714  0.36754740  0.71209214
   0.27426004  0.21307732 -0.11724634
   0.03439530  0.12480185  0.93030851
   0.13950277  0.58714279  0.08524333
   0.37431655  0.66770968  0.27108481
   0.10767345  0.84496727  0.04396233
   0.35390548  0.91485253  0.34526631
   0.42994416  0.88873904  0.17813090
   0.16759475  0.82055889  0.22723145
   0.33355866  0.67973922  0.45577595
   0.08322117  0.60344575  0.41602541
   0.16245750  0.59280046  0.59644933
   0.35352442  0.71203964  0.76436087
   0.11968354  0.82300657  0.50473107
   0.36281701  0.98516019  0.80165603
   0.47236577  0.92233627  0.62227099
   0.20130129  0.91430162  0.66161797
   0.30437846  0.69851890 -0.04457939
   0.03585168  0.64526916  0.91805541
   0.61702548  0.05688391  0.11156806
   0.85484845  0.20410785  0.24645143
   0.59148863  0.29739232  0.03829304
   0.86766500  0.44314229  0.38222786
   0.05588767  0.36380637  0.19246828
   0.79410460  0.42839677  0.13891109
   0.74175742  0.16273816  0.41805056
   0.48750816  0.12752356  0.43472663
   0.66902188  0.08899369  0.58775038
   0.84671424  0.20745855  0.79348783
   0.59979643  0.33216121  0.53101676
   0.87410597  0.45230353  0.85596543
   0.98240756  0.41166097  0.65526303
   0.70485727  0.43315582  0.68665134
   0.77163443  0.10277307  0.95793732
   0.51359406  0.09991620  0.93138763
   0.57752349  0.55148596  0.07600154
   0.88599646  0.69745255  0.29544714
   0.61680999  0.81582159  0.04427191
   0.89313691  0.95100846  0.34704497
   0.91921050  0.87024461  0.16617373
   0.67460764  0.85092804  0.24174417
   0.80592708  0.66320981  0.45896019
   0.56804138  0.56114475  0.38417577
   0.60371620  0.61020926  0.57072197
   0.84812213  0.69912203  0.79955925
   0.59963003  0.81918642  0.43190201
   0.93079937  0.94269904  0.84241851
   0.95096806  0.85657634  0.66034651
   0.71007742  0.92881915  0.72556182
   0.78466048  0.62769472  0.98116129
   0.54631648  0.68272049  0.89468606
   0.70651887  0.82868238  0.57765764
   0.51673831  0.83881149  0.38495523
   0.91236315  0.21191423  0.07424304
   0.92391981  0.37332098  0.41478972
   0.34477124  0.13005487  0.63538299
   0.38857812  0.79766225  0.73728713
   0.16861931  1.11643790  0.17406750
   0.25787381  1.09301011  0.02712922
   0.64104091  0.37195753  0.85015751
   0.92508728  0.43564435  0.61163115
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907859    0.106471   -0.091414
    -0.000000    9.738947    0.194296
    -0.000000    0.000000   14.016252
   Si   O    H 
    32    64    10
Direct configuration=  1806
   0.17642344  0.19125255 -0.03166667
   0.35597025  0.08327928  0.37432937
   0.16314253  0.42671285  0.11363003
   0.39672042  0.34170354  0.25267844
   0.10153352  0.18404697  0.48745922
   0.41014878  0.13285736  0.84669722
   0.13216537  0.42860940  0.62173892
   0.36876631  0.38396753  0.75172149
   0.15248971  0.69523109 -0.00009746
   0.40881680  0.58825729  0.36824080
   0.07887356  0.90845511  0.15243052
   0.33099824  0.82480048  0.25394281
   0.18204925  0.67360696  0.49667129
   0.39015489  0.64085785  0.86284383
   0.06822835  0.91195765  0.59305003
   0.34124773  0.99438605  0.67889687
   0.62416958  0.13520357  1.01511173
   0.87071192  0.11917155  0.35259397
   0.63351090  0.40802573  0.12170606
   0.90355988  0.30029470  0.15436868
   0.61782850  0.17983629  0.49061657
   0.89205295  0.10100390  0.88186440
   0.58875253  0.45329870  0.60904845
   0.76500922  0.35919324  0.79453307
   0.62802259  0.66504325 -0.00234388
   0.91950208  0.60053082  0.38480336
   0.59007882  0.90077856  0.14236712
   0.83836882  0.84879822  0.26271908
   0.64643288  0.67070887  0.46526193
   0.88681510  0.61217375  0.88878696
   0.63720479  0.93702190  0.61840108
   0.85968803  0.86540516  0.75650716
   0.09393478  0.06959911  0.15175475
   0.35829891  0.17793810  0.27567148
   0.15630206  0.33832309  0.02259659
   0.34482497  0.43581601  0.34646257
   0.55737496  0.35005700  0.21795695
   0.31029721  0.39901238  0.16301948
   0.22321185  0.10887469  0.43597427
  -0.00820585  0.19862225  0.39978881
   0.03452870  0.07540845  0.56324440
   0.46361863  0.24244240  0.76486011
   0.15018496  0.32015942  0.53340014
   0.34641351  0.47719142  0.84822868
   0.44469492  0.46221591  0.65829976
   0.21424843  0.36709485  0.71228648
   0.27218198  0.21285993 -0.11630719
   0.03301337  0.12766404  0.92982162
   0.13855398  0.58679329  0.08539853
   0.37408260  0.66525624  0.27052273
   0.10701542  0.84410668  0.04604456
   0.35436927  0.91490437  0.34472759
   0.43049245  0.89044625  0.17753248
   0.16835712  0.81868286  0.22882891
   0.33363823  0.67992972  0.45758216
   0.08372222  0.60465172  0.41582712
   0.16195401  0.59344057  0.59646891
   0.35269943  0.71035606  0.76489524
   0.11900050  0.82394655  0.50531405
   0.36297527  0.98567331  0.80108380
   0.47165871  0.92438330  0.62225231
   0.20110815  0.91599659  0.66094430
   0.30249803  0.69702370 -0.04580896
   0.03735808  0.64590205  0.91786501
   0.61796154  0.05637836  0.11183922
   0.85510894  0.20341802  0.24627525
   0.59213658  0.29543933  0.03777393
   0.86609707  0.44244597  0.38077728
   0.05567341  0.36273488  0.19195585
   0.79578285  0.42846716  0.13912881
   0.74288671  0.16284799  0.41855768
   0.48715101  0.12728452  0.43503598
   0.66844064  0.08932062  0.58755126
   0.84698301  0.20674759  0.79438699
   0.59990704  0.33167962  0.53021501
   0.87141698  0.45095743  0.85571217
   0.98392309  0.41148782  0.65516608
   0.70552152  0.43303971  0.68697997
   0.77145881  0.10130233  0.95885559
   0.51464046  0.10090160  0.93124236
   0.57739536  0.54971598  0.07577556
   0.88742855  0.69803694  0.29659459
   0.61743842  0.81480617  0.04418800
   0.89213923  0.95084763  0.34692329
   0.91788003  0.87162716  0.16564761
   0.67350629  0.85140416  0.24063441
   0.80740058  0.66267258  0.45918847
   0.56666324  0.56179703  0.38445919
   0.60368522  0.60991589  0.57091176
   0.84777996  0.69926206  0.79909496
   0.59720882  0.82014609  0.43229434
   0.92916642  0.94272936  0.84224475
   0.95133493  0.85683681  0.65945798
   0.70897142  0.92748862  0.72465024
   0.78430440  0.62754934  0.98088663
   0.54558690  0.68370738  0.89600542
   0.71060809  0.82298244  0.57522784
   0.52151166  0.83757153  0.38368175
   0.91064096  0.21149396  0.07828278
   0.93287152  0.37524662  0.41054216
   0.34417730  0.13119431  0.63062405
   0.39395393  0.80000885  0.73906187
   0.17454345  1.11607092  0.17379395
   0.25565162  1.09278539  0.02610244
   0.64299306  0.37316656  0.84606576
   0.91957101  0.43505037  0.60296929
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908378    0.103528   -0.092678
    -0.000000    9.738394    0.194232
    -0.000000    0.000000   14.013599
   Si   O    H 
    32    64    10
Direct configuration=  1807
   0.17581991  0.18978911 -0.03056493
   0.35678719  0.08282799  0.37420619
   0.16269939  0.42567392  0.11387289
   0.39715389  0.34071535  0.25276708
   0.10118638  0.18440568  0.48711158
   0.41055287  0.13516128  0.84591981
   0.13153103  0.42998109  0.62222681
   0.37007200  0.38518073  0.75083644
   0.15262204  0.69382997  0.00050667
   0.40868263  0.58896678  0.36861456
   0.07918611  0.90749748  0.15111354
   0.33206354  0.82512248  0.25367266
   0.18160039  0.67372772  0.49683040
   0.39092992  0.64128661  0.86337488
   0.06568287  0.91389753  0.59283882
   0.34098605  0.99337159  0.67807080
   0.62333989  0.13652416  1.01465623
   0.87091189  0.12108002  0.35267653
   0.63316269  0.40784841  0.12167308
   0.90280694  0.30128121  0.15391542
   0.61692214  0.17900789  0.49029487
   0.89077222  0.10183064  0.88126824
   0.58745372  0.45279318  0.60919223
   0.76580091  0.35951407  0.79450176
   0.62762720  0.66397693 -0.00334810
   0.91805814  0.59954048  0.38508088
   0.59011630  0.89960075  0.14309936
   0.83745463  0.84879111  0.26130956
   0.64709391  0.67108712  0.46438655
   0.88655000  0.61221206  0.88919234
   0.63738211  0.93745988  0.61869165
   0.86080126  0.86504292  0.75632343
   0.09257612  0.07088467  0.15160851
   0.35725994  0.17569099  0.27480456
   0.15404199  0.33689813  0.02263483
   0.34435664  0.43531745  0.34665056
   0.55808427  0.34779850  0.21862985
   0.31107531  0.39953219  0.16266090
   0.22347233  0.10969718  0.43609197
  -0.00913188  0.19883822  0.40018620
   0.03341158  0.07576496  0.56362110
   0.46620639  0.24312329  0.76591661
   0.15031907  0.32016455  0.53350656
   0.34576858  0.47692061  0.84772672
   0.44238952  0.46308523  0.66002084
   0.21399541  0.36681749  0.71278554
   0.27064218  0.21289962 -0.11581082
   0.03175728  0.13069089  0.92935848
   0.13771859  0.58625447  0.08619279
   0.37385310  0.66379096  0.26955938
   0.10707239  0.84354465  0.04808451
   0.35435000  0.91589742  0.34408693
   0.43036708  0.89241569  0.17648971
   0.16953175  0.81737191  0.22993288
   0.33337428  0.67976629  0.45864657
   0.08368307  0.60504412  0.41560439
   0.16197761  0.59408200  0.59639853
   0.35145444  0.70957620  0.76404122
   0.11836053  0.82485813  0.50624684
   0.36253814  0.98598469  0.80046081
   0.47083304  0.92615947  0.62176402
   0.20043047  0.91797988  0.66026307
   0.30061847  0.69486084 -0.04707553
   0.03936886  0.64691074  0.91807603
   0.61948720  0.05679312  0.11177921
   0.85571196  0.20192463  0.24646062
   0.59314283  0.29420740  0.03753936
   0.86348395  0.44188457  0.37952166
   0.05576400  0.36270627  0.19119428
   0.79803914  0.42734109  0.13951757
   0.74400613  0.16287794  0.41831551
   0.48643366  0.12699671  0.43547060
   0.66743890  0.09018849  0.58732132
   0.84761395  0.20611695  0.79529515
   0.59923168  0.33178008  0.52991241
   0.86839022  0.45105830  0.85533837
   0.98540476  0.41081444  0.65512080
   0.70698813  0.43282123  0.68735936
   0.77086175  0.10025147  0.95912221
   0.51530820  0.10057521  0.93065717
   0.57645212  0.54848995  0.07535217
   0.88854610  0.69911912  0.29713966
   0.61716125  0.81442139  0.04473985
   0.89134515  0.95040555  0.34701336
   0.91708038  0.87331892  0.16514388
   0.67268178  0.85189352  0.23953586
   0.80953617  0.66198245  0.46018245
   0.56622863  0.56249963  0.38456971
   0.60410822  0.60988558  0.57099870
   0.84721168  0.70064948  0.79796406
   0.59481001  0.82228821  0.43327502
   0.92729691  0.94258178  0.84191186
   0.95217901  0.85676789  0.65848933
   0.70813077  0.92621171  0.72373529
   0.78507506  0.62764710  0.98067835
   0.54493605  0.68415861  0.89735411
   0.71334064  0.82097987  0.56974656
   0.53043719  0.83505699  0.38506037
   0.90914643  0.20905168  0.07747734
   0.93430294  0.37834440  0.40709174
   0.33978830  0.13021953  0.62892350
   0.39781022  0.79359201  0.74377903
   0.17758634  1.11558182  0.17438238
   0.25361683  1.08949830  0.02698111
   0.64107644  0.37090284  0.84448621
   0.91539940  0.43419176  0.59683899
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908617    0.099898   -0.093777
    -0.000000    9.737804    0.193791
    -0.000000    0.000000   14.010299
   Si   O    H 
    32    64    10
Direct configuration=  1808
   0.17461642  0.18826746 -0.02970827
   0.35704150  0.08247909  0.37434638
   0.16256190  0.42438058  0.11417672
   0.39757702  0.33942840  0.25281056
   0.09998935  0.18432917  0.48697765
   0.41115979  0.13681531  0.84538896
   0.13187897  0.43079415  0.62273449
   0.37119012  0.38669263  0.75051586
   0.15211304  0.69237287  0.00111523
   0.40785136  0.58882133  0.36887908
   0.07979924  0.90650807  0.14958380
   0.33259185  0.82557879  0.25342108
   0.18082073  0.67385718  0.49683585
   0.39172801  0.64116519  0.86421440
   0.06395604  0.91629935  0.59308426
   0.34081423  0.99295795  0.67703387
   0.62266303  0.13801047  1.01401130
   0.87077680  0.12285828  0.35227170
   0.63296578  0.40736909  0.12196864
   0.90187478  0.30168381  0.15364343
   0.61623150  0.17827840  0.48972315
   0.88961912  0.10241690  0.88073941
   0.58646663  0.45264243  0.60910334
   0.76627212  0.36006440  0.79420905
   0.62722730  0.66345220 -0.00403423
   0.91728361  0.59952344  0.38548817
   0.58964696  0.89830669  0.14376472
   0.83653907  0.84852518  0.25999704
   0.64752248  0.67091354  0.46344841
   0.88598695  0.61185277  0.88970982
   0.63759906  0.93805365  0.61909120
   0.86124422  0.86370108  0.75591716
   0.09101132  0.07266963  0.15155833
   0.35595577  0.17291002  0.27385927
   0.15232294  0.33522240  0.02237153
   0.34404187  0.43452099  0.34658922
   0.55891789  0.34628637  0.21920642
   0.31113430  0.39947409  0.16243144
   0.22309396  0.11054306  0.43579601
  -0.00894127  0.19909485  0.40105533
   0.03238883  0.07592905  0.56413168
   0.46767811  0.24406433  0.76681664
   0.15031589  0.32089157  0.53358290
   0.34526597  0.47691206  0.84699458
   0.43986383  0.46419479  0.66194521
   0.21350442  0.36673896  0.71293086
   0.26970404  0.21301984 -0.11580351
   0.03150150  0.13323743  0.92944939
   0.13773783  0.58586497  0.08716437
   0.37393492  0.66295366  0.26897647
   0.10706931  0.84320985  0.04953085
   0.35484548  0.91657829  0.34403428
   0.42981057  0.89326867  0.17546165
   0.17138055  0.81546652  0.23090824
   0.33344276  0.67918386  0.45997490
   0.08268374  0.60532498  0.41512653
   0.16257599  0.59393529  0.59599897
   0.35073163  0.71003681  0.76319861
   0.11794610  0.82662822  0.50641299
   0.36228736  0.98691225  0.80003041
   0.47016114  0.92720538  0.62075510
   0.19906790  0.92011714  0.65978493
   0.29845282  0.69242297 -0.04838261
   0.04072914  0.64802386  0.91815511
   0.62043508  0.05583682  0.11158678
   0.85611241  0.20076723  0.24659084
   0.59483927  0.29309399  0.03727406
   0.86192644  0.44221262  0.37877283
   0.05465756  0.36261986  0.19043095
   0.80072236  0.42658342  0.13934623
   0.74523790  0.16237108  0.41782859
   0.48581438  0.12688065  0.43558837
   0.66691548  0.09102475  0.58655618
   0.84782322  0.20593127  0.79612348
   0.59849512  0.33143303  0.52991218
   0.86629476  0.45059872  0.85566059
   0.98471842  0.40961035  0.65445107
   0.70850499  0.43178949  0.68790453
   0.77001348  0.09958963  0.95900453
   0.51542030  0.10082818  0.92959360
   0.57492615  0.54764895  0.07514085
   0.88958935  0.70006736  0.29722722
   0.61637104  0.81474257  0.04496981
   0.89056842  0.94936369  0.34741008
   0.91651295  0.87524030  0.16434101
   0.67141434  0.85306612  0.23845880
   0.81233681  0.66175443  0.46106303
   0.56659094  0.56381268  0.38444053
   0.60357827  0.60966535  0.57119695
   0.84682198  0.70296602  0.79668617
   0.59322877  0.82402411  0.43444988
   0.92568767  0.94336768  0.84179449
   0.95214180  0.85672054  0.65731608
   0.70673452  0.92424612  0.72334442
   0.78579009  0.62787953  0.98089105
   0.54408599  0.68450529  0.89886052
   0.71404157  0.82252825  0.56779344
   0.53376258  0.83640103  0.38262504
   0.90854252  0.20571825  0.07460345
   0.93402547  0.37908973  0.40196734
   0.33289041  0.12705932  0.62843862
   0.40219649  0.78471691  0.74835634
   0.17617751  1.11176032  0.17583745
   0.24931369  1.08611244  0.02736874
   0.63573414  0.36762648  0.84764734
   0.91821458  0.42910456  0.60019085
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909150    0.096280   -0.094565
    -0.000000    9.737440    0.193118
    -0.000000    0.000000   14.007356
   Si   O    H 
    32    64    10
Direct configuration=  1809
   0.17258893  0.18678044 -0.02917161
   0.35734788  0.08220685  0.37407585
   0.16223535  0.42344842  0.11437576
   0.39757629  0.33867507  0.25270453
   0.09906851  0.18355362  0.48687853
   0.41117346  0.13828664  0.84455755
   0.13191023  0.43152359  0.62311811
   0.37213924  0.38821105  0.75017679
   0.15178765  0.69105475  0.00126886
   0.40744802  0.58853216  0.36917205
   0.08072747  0.90573452  0.14816822
   0.33309215  0.82579472  0.25307158
   0.17978600  0.67374143  0.49688609
   0.39184488  0.64112242  0.86495228
   0.06287036  0.91876011  0.59319806
   0.34099368  0.99238612  0.67621399
   0.62228532  0.13917722  1.01299728
   0.87092293  0.12510634  0.35191509
   0.63276439  0.40693186  0.12237509
   0.90086652  0.30169078  0.15361081
   0.61569633  0.17799251  0.48942268
   0.88800861  0.10296065  0.88025978
   0.58609088  0.45211862  0.60847146
   0.76629679  0.36066642  0.79393426
   0.62683498  0.66325490 -0.00438314
   0.91662802  0.59919051  0.38584250
   0.58869492  0.89705553  0.14420552
   0.83576643  0.84826173  0.25909222
   0.64783912  0.67076963  0.46293260
   0.88564880  0.61211294  0.89017610
   0.63794984  0.93859074  0.61951436
   0.86164796  0.86216379  0.75520629
   0.08957322  0.07465179  0.15231410
   0.35534927  0.17029765  0.27353542
   0.15054490  0.33350257  0.02196424
   0.34441603  0.43460246  0.34613493
   0.55874687  0.34536765  0.21975480
   0.31135744  0.39923383  0.16210382
   0.22235229  0.11133264  0.43466577
  -0.00785634  0.20028719  0.40211413
   0.03215952  0.07651422  0.56505891
   0.46945875  0.24556492  0.76755430
   0.14947300  0.32245664  0.53353103
   0.34476190  0.47695225  0.84626403
   0.43759281  0.46549570  0.66332702
   0.21406073  0.36672566  0.71313752
   0.26886715  0.21452838 -0.11621786
   0.03180944  0.13557681  0.93018081
   0.13862366  0.58505907  0.08810416
   0.37363748  0.66190379  0.26774830
   0.10800945  0.84222692  0.05058751
   0.35591864  0.91840335  0.34495435
   0.42895628  0.89337764  0.17423051
   0.17307538  0.81414305  0.23189968
   0.33373496  0.67861393  0.46086887
   0.08236724  0.60512524  0.41543661
   0.16347916  0.59381101  0.59504604
   0.34964929  0.70997116  0.76234438
   0.11796079  0.82826388  0.50693511
   0.36124687  0.98804343  0.79916690
   0.46910775  0.92855070  0.61952165
   0.19800682  0.92231520  0.65925199
   0.29637229  0.68938343 -0.04916727
   0.04189964  0.64852928  0.91848676
   0.62178110  0.05494937  0.11105648
   0.85570630  0.19999699  0.24675535
   0.59622586  0.29231346  0.03720078
   0.86070314  0.44258226  0.37823581
   0.05334081  0.36216373  0.18941111
   0.80307843  0.42531549  0.13945680
   0.74644083  0.16195923  0.41773641
   0.48493497  0.12616949  0.43638791
   0.66695909  0.09205235  0.58555563
   0.84745837  0.20636622  0.79670144
   0.59775611  0.33050968  0.53010650
   0.86554491  0.45058054  0.85597112
   0.98353840  0.40910664  0.65353146
   0.71005566  0.43004519  0.68887076
   0.76874254  0.09944448  0.95876226
   0.51547090  0.10093487  0.92902852
   0.57318474  0.54737781  0.07514231
   0.89062836  0.70087358  0.29726233
   0.61526839  0.81496337  0.04572624
   0.88971062  0.94836823  0.34733972
   0.91681520  0.87727478  0.16341002
   0.67151062  0.85366143  0.23800802
   0.81422552  0.66180113  0.46257758
   0.56694420  0.56515596  0.38409599
   0.60385346  0.60936990  0.57120818
   0.84631981  0.70507544  0.79537939
   0.59143967  0.82557005  0.43613007
   0.92366599  0.94394046  0.84216038
   0.95270719  0.85606544  0.65654143
   0.70558242  0.92234101  0.72224071
   0.78610081  0.62818675  0.98061051
   0.54294299  0.68466890  0.89990041
   0.71350020  0.83054033  0.56811219
   0.52959779  0.83852665  0.37612023
   0.91156781  0.20184799  0.07405374
   0.93283730  0.37649380  0.39707860
   0.32839112  0.12654577  0.62866180
   0.41297002  0.79238689  0.74981233
   0.17492692  1.10985819  0.17736663
   0.24615370  1.08089352  0.02934253
   0.63320420  0.36204495  0.84804214
   0.92538920  0.42259588  0.60564169
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909700    0.093109   -0.095319
    -0.000000    9.737018    0.192241
    -0.000000    0.000000   14.004656
   Si   O    H 
    32    64    10
Direct configuration=  1810
   0.17080050  0.18531703 -0.02860341
   0.35713846  0.08230399  0.37444427
   0.16241007  0.42211839  0.11438512
   0.39834105  0.33790959  0.25226013
   0.09853409  0.18254012  0.48689599
   0.41018482  0.13947662  0.84375051
   0.13261920  0.43130169  0.62345396
   0.37285902  0.38920388  0.74977582
   0.15084701  0.68997222  0.00143269
   0.40675461  0.58818278  0.36925985
   0.08135736  0.90514202  0.14679866
   0.33293947  0.82577489  0.25305916
   0.17893979  0.67348564  0.49723296
   0.39210884  0.64118299  0.86533139
   0.06215357  0.92067209  0.59320914
   0.34094636  0.99308890  0.67536837
   0.62194280  0.14059391  1.01150010
   0.87123608  0.12682095  0.35147179
   0.63262025  0.40584828  0.12287143
   0.90055989  0.30073508  0.15367070
   0.61541361  0.17819072  0.48943327
   0.88681003  0.10354639  0.87969489
   0.58614734  0.45090076  0.60807403
   0.76650878  0.36104287  0.79353464
   0.62664876  0.66360077 -0.00410252
   0.91660241  0.59864784  0.38623286
   0.58708562  0.89580886  0.14449267
   0.83512948  0.84793327  0.25827314
   0.64846937  0.67033955  0.46252162
   0.88485278  0.61193757  0.89071282
   0.63813438  0.93934927  0.62012291
   0.86148325  0.86094060  0.75440265
   0.08838191  0.07671647  0.15304008
   0.35524895  0.16924451  0.27300859
   0.14905552  0.33234624  0.02164795
   0.34458564  0.43425114  0.34573688
   0.55876897  0.34518474  0.22016682
   0.31173228  0.39777389  0.16208493
   0.22129285  0.11141705  0.43299467
  -0.00716308  0.20136382  0.40321947
   0.03081774  0.07743440  0.56553710
   0.47120616  0.24748055  0.76767617
   0.14898924  0.32392636  0.53332190
   0.34521454  0.47786322  0.84574726
   0.43621678  0.46692674  0.66412400
   0.21393303  0.36646790  0.71322986
   0.26937667  0.21546499 -0.11740303
   0.03092926  0.13688978  0.93037718
   0.13930156  0.58388794  0.08910945
   0.37293550  0.66119621  0.26678370
   0.10931993  0.84068314  0.05099308
   0.35684455  0.91975741  0.34594925
   0.42883314  0.89309473  0.17293602
   0.17416009  0.81310348  0.23268333
   0.33434751  0.67819022  0.46052007
   0.08143556  0.60493060  0.41543797
   0.16476341  0.59309226  0.59454906
   0.34891885  0.70995298  0.76150546
   0.11847190  0.83000059  0.50726664
   0.36011252  0.98984856  0.79730153
   0.46801276  0.92895678  0.61902453
   0.19749258  0.92397370  0.65843349
   0.29385051  0.68590214 -0.04975250
   0.04184776  0.64914281  0.91916318
   0.62340324  0.05408375  0.11059521
   0.85538656  0.19949907  0.24665352
   0.59784054  0.29244874  0.03763102
   0.85983753  0.44329544  0.37767516
   0.05281834  0.36169045  0.18836822
   0.80426215  0.42384203  0.13975468
   0.74639721  0.16154920  0.41761047
   0.48448834  0.12530066  0.43712830
   0.66699229  0.09312933  0.58476046
   0.84654553  0.20736166  0.79713538
   0.59714220  0.33095495  0.53020936
   0.86449719  0.45068470  0.85650732
   0.98297079  0.40840183  0.65332061
   0.71076794  0.42769598  0.68965569
   0.76777833  0.09912041  0.95866609
   0.51511523  0.10072792  0.92868680
   0.57147361  0.54727791  0.07480521
   0.89166382  0.70150094  0.29667408
   0.61461657  0.81454786  0.04613203
   0.88809528  0.94854159  0.34731388
   0.91780618  0.87906407  0.16234774
   0.67248980  0.85440504  0.23755786
   0.81550232  0.66287485  0.46399624
   0.56840410  0.56647885  0.38457425
   0.60496459  0.60860764  0.57016863
   0.84538254  0.70690968  0.79403989
   0.58930091  0.82706090  0.43798328
   0.92174254  0.94440552  0.84215202
   0.95246892  0.85559779  0.65586285
   0.70556039  0.91990777  0.72235760
   0.78676164  0.62878994  0.97990227
   0.54217308  0.68418808  0.90065883
   0.71233512  0.83972546  0.56958595
   0.52919188  0.84138454  0.37466000
   0.91084894  0.19873550  0.07443190
   0.93133836  0.37430510  0.39275981
   0.32537261  0.12762552  0.62972816
   0.41635749  0.79286639  0.75186207
   0.17099986  1.11069180  0.17688338
   0.24303024  1.07945233  0.03108287
   0.63509425  0.35704860  0.84917671
   0.91647458  0.41738697  0.60163895
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910064    0.090300   -0.095698
    -0.000000    9.736886    0.191743
    -0.000000    0.000000   14.002115
   Si   O    H 
    32    64    10
Direct configuration=  1811
   0.16907647  0.18419095 -0.02822274
   0.35655272  0.08293395  0.37454600
   0.16262377  0.42128702  0.11439527
   0.39842747  0.33701691  0.25187696
   0.09854737  0.18142175  0.48671765
   0.40972001  0.14015945  0.84291992
   0.13371979  0.43122636  0.62340383
   0.37350621  0.39001181  0.74971957
   0.14996374  0.68963420  0.00106050
   0.40606181  0.58760529  0.36915907
   0.08143166  0.90514159  0.14596388
   0.33244722  0.82630346  0.25296928
   0.17825208  0.67369748  0.49757763
   0.39188872  0.64088815  0.86541292
   0.06184936  0.92236025  0.59286441
   0.34049822  0.99405910  0.67482454
   0.62242159  0.14209074  1.00955389
   0.87097534  0.12783675  0.35074821
   0.63343100  0.40473252  0.12318109
   0.90055963  0.29871716  0.15381187
   0.61639013  0.17838962  0.48960657
   0.88616364  0.10383578  0.87942832
   0.58644722  0.45032257  0.60807867
   0.76673743  0.36122311  0.79340237
   0.62609787  0.66391581 -0.00362074
   0.91676404  0.59829192  0.38634252
   0.58559822  0.89383375  0.14452140
   0.83432194  0.84788755  0.25764958
   0.64864141  0.67034196  0.46197514
   0.88413371  0.61179275  0.89130363
   0.63872378  0.94020898  0.62032632
   0.86115274  0.85961281  0.75396397
   0.08752087  0.07799966  0.15363493
   0.35446785  0.16960669  0.27222881
   0.14756357  0.33093911  0.02136278
   0.34444614  0.43292180  0.34500820
   0.55880864  0.34494067  0.21988214
   0.31165143  0.39663483  0.16230025
   0.21990180  0.11189181  0.43136913
  -0.00697968  0.20352433  0.40415152
   0.02840534  0.07911879  0.56493165
   0.47278588  0.24902769  0.76755161
   0.14949321  0.32497251  0.53349760
   0.34670262  0.47910951  0.84543825
   0.43495389  0.46841569  0.66443345
   0.21376747  0.36640095  0.71329391
   0.26947759  0.21581019 -0.11872009
   0.02941807  0.13832645  0.93076504
   0.14000828  0.58274968  0.08992828
   0.37199285  0.66040329  0.26570996
   0.11055273  0.83827580  0.05059880
   0.35768429  0.92064570  0.34741596
   0.42899060  0.89295082  0.17160339
   0.17534715  0.81302865  0.23360629
   0.33518342  0.67614556  0.45976945
   0.08052447  0.60453192  0.41501636
   0.16562820  0.59189412  0.59430476
   0.34907275  0.71004531  0.76064714
   0.12052532  0.83076257  0.50729040
   0.35914787  0.99221846  0.79531026
   0.46751597  0.92948598  0.61848534
   0.19707546  0.92492059  0.65760770
   0.29179147  0.68331361 -0.05020890
   0.04060910  0.65049603  0.91940370
   0.62523096  0.05360209  0.10991221
   0.85515298  0.19842825  0.24599520
   0.59959455  0.29358439  0.03762531
   0.85867329  0.44364539  0.37776754
   0.05185682  0.36187441  0.18709178
   0.80458985  0.42331830  0.13962489
   0.74581405  0.16093959  0.41811701
   0.48438465  0.12398575  0.43804297
   0.66662212  0.09454207  0.58413485
   0.84565392  0.20882414  0.79693399
   0.59647377  0.33119182  0.53042963
   0.86382769  0.45128996  0.85760250
   0.98168486  0.40739920  0.65342680
   0.71041596  0.42513923  0.69096322
   0.76730850  0.09859315  0.95842400
   0.51478414  0.10020774  0.92841906
   0.57020423  0.54787037  0.07461180
   0.89246581  0.70223006  0.29595452
   0.61400288  0.81360609  0.04667540
   0.88667155  0.94902796  0.34721806
   0.91930737  0.88072571  0.16094463
   0.67398063  0.85517042  0.23784920
   0.81579159  0.66432534  0.46498447
   0.56938851  0.56785336  0.38531606
   0.60492510  0.60748053  0.56964471
   0.84495777  0.70850685  0.79290881
   0.58818612  0.82845888  0.43946920
   0.91989975  0.94507886  0.84186248
   0.95288870  0.85449044  0.65539526
   0.70594327  0.91768812  0.72258322
   0.78658600  0.62983082  0.97891128
   0.54163969  0.68324235  0.90157631
   0.71315636  0.84694142  0.56670255
   0.53429083  0.84147355  0.38103319
   0.90676213  0.20000247  0.07512111
   0.92743938  0.36708195  0.38751952
   0.31987468  0.13344675  0.62926530
   0.41318495  0.78465936  0.75717478
   0.17716406  1.11438001  0.17689418
   0.23634118  1.07877547  0.03228471
   0.63900835  0.35061103  0.85002585
   0.90851133  0.41320195  0.60085745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910335    0.087425   -0.096213
    -0.000000    9.736859    0.191126
    -0.000000    0.000000   13.999340
   Si   O    H 
    32    64    10
Direct configuration=  1812
   0.16750800  0.18299438 -0.02789771
   0.35586734  0.08369509  0.37485866
   0.16289637  0.41971561  0.11488528
   0.39912587  0.33611296  0.25175455
   0.09991078  0.18049660  0.48704284
   0.40900022  0.14078053  0.84202767
   0.13502479  0.43115156  0.62323099
   0.37376915  0.39027837  0.75001694
   0.14964489  0.68987874  0.00113972
   0.40517018  0.58665791  0.36911030
   0.08080565  0.90584210  0.14556477
   0.33175335  0.82689598  0.25312642
   0.17783234  0.67403381  0.49746345
   0.39149299  0.64066670  0.86515766
   0.06180966  0.92367631  0.59278520
   0.33977743  0.99544234  0.67456077
   0.62308162  0.14325232  1.00734926
   0.87011894  0.12813191  0.34938493
   0.63411086  0.40330745  0.12364729
   0.90186161  0.29582229  0.15430635
   0.61724433  0.17905005  0.48961510
   0.88593770  0.10327253  0.87950114
   0.58659968  0.45022143  0.60860787
   0.76710240  0.36112376  0.79327032
   0.62574710  0.66443500 -0.00331316
   0.91683371  0.59764851  0.38641357
   0.58408060  0.89299372  0.14450575
   0.83414505  0.84788954  0.25709796
   0.64942268  0.66979532  0.46159412
   0.88355790  0.61185970  0.89161891
   0.63876294  0.94144395  0.62055437
   0.86061348  0.85862427  0.75358477
   0.08742630  0.07877518  0.15444223
   0.35371404  0.17034356  0.27110798
   0.14578126  0.32961896  0.02162816
   0.34443476  0.43203302  0.34490461
   0.55862538  0.34453254  0.21905597
   0.31141291  0.39589384  0.16223471
   0.21869489  0.11228212  0.42967905
  -0.00662875  0.20549957  0.40478199
   0.02594445  0.08144056  0.56473221
   0.47426079  0.25074118  0.76778314
   0.15027964  0.32541136  0.53351647
   0.34848320  0.48037636  0.84514585
   0.43416763  0.46913193  0.66412640
   0.21516164  0.36651970  0.71389188
   0.26993488  0.21609345 -0.11995592
   0.02821851  0.14008424  0.93068762
   0.14138369  0.58188694  0.09078249
   0.37081393  0.66014762  0.26423169
   0.11319097  0.83588690  0.04891563
   0.35835038  0.92173589  0.34892607
   0.42850577  0.89197854  0.17043156
   0.17552975  0.81361786  0.23379955
   0.33587854  0.67388364  0.45913297
   0.07972234  0.60418896  0.41497298
   0.16596134  0.58964154  0.59442086
   0.34918811  0.70987478  0.76005431
   0.12238257  0.83161246  0.50720015
   0.35830539  0.99455581  0.79347628
   0.46658493  0.92947304  0.61818932
   0.19694819  0.92594045  0.65673254
   0.28975524  0.68103437 -0.05007132
   0.03923233  0.65189215  0.91994646
   0.62740283  0.05299933  0.10894434
   0.85445885  0.19711097  0.24455098
   0.60199144  0.29554673  0.03831033
   0.85797155  0.44407480  0.37835889
   0.05037239  0.36174857  0.18659069
   0.80393793  0.42351729  0.13955982
   0.74496655  0.16147623  0.41880426
   0.48367644  0.12228346  0.43906422
   0.66622029  0.09585298  0.58342562
   0.84432028  0.21027068  0.79678412
   0.59527511  0.33136073  0.53050522
   0.86282298  0.45265045  0.85892033
   0.97987681  0.40697850  0.65369927
   0.70904275  0.42244243  0.69272669
   0.76750257  0.09857498  0.95813785
   0.51424093  0.09994056  0.92820627
   0.56934783  0.54885211  0.07420887
   0.89268584  0.70205850  0.29505836
   0.61393017  0.81299226  0.04736061
   0.88467005  0.94963224  0.34669683
   0.91984253  0.88190751  0.15915072
   0.67547551  0.85599068  0.23787254
   0.81483867  0.66558356  0.46546129
   0.57014017  0.56957853  0.38580626
   0.60544727  0.60609246  0.56887105
   0.84449867  0.70918176  0.79215671
   0.58733489  0.82886623  0.44087634
   0.91869852  0.94596470  0.84195212
   0.95230717  0.85371074  0.65518217
   0.70683300  0.91613453  0.72267147
   0.78466628  0.63121177  0.97777583
   0.54123784  0.68212038  0.90223518
   0.71491591  0.84925249  0.56094315
   0.54076377  0.84106807  0.38885128
   0.90130000  0.20053124  0.07398321
   0.91965204  0.36087648  0.38154664
   0.31194090  0.13903989  0.62870989
   0.41212798  0.78093269  0.76225451
   0.17608534  1.11264312  0.17461132
   0.22853127  1.07939328  0.03362565
   0.64675884  0.34452079  0.84999417
   0.91099322  0.40861953  0.60624712
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910761    0.085123   -0.096830
    -0.000000    9.737220    0.190378
    -0.000000    0.000000   13.996542
   Si   O    H 
    32    64    10
Direct configuration=  1813
   0.16598861  0.18205726 -0.02754779
   0.35468426  0.08447792  0.37492564
   0.16321146  0.41834447  0.11522924
   0.39963281  0.33564136  0.25197730
   0.10123793  0.17989229  0.48756253
   0.40800348  0.14141176  0.84132879
   0.13593564  0.43129827  0.62304205
   0.37353148  0.39063076  0.75049442
   0.14978097  0.69046998  0.00114420
   0.40400276  0.58587569  0.36892480
   0.08042315  0.90696342  0.14558664
   0.33154955  0.82729709  0.25389101
   0.17686001  0.67491455  0.49731866
   0.39078915  0.63996900  0.86467479
   0.06146500  0.92471490  0.59271995
   0.33960506  0.99621092  0.67430778
   0.62311792  0.14384070  1.00567853
   0.86953836  0.12823022  0.34858146
   0.63427726  0.40267270  0.12379816
   0.90309720  0.29210086  0.15450373
   0.61868253  0.17903505  0.48934171
   0.88617392  0.10283103  0.87971508
   0.58645421  0.44980252  0.60901791
   0.76642531  0.36089769  0.79304464
   0.62534219  0.66487937 -0.00305045
   0.91757424  0.59813585  0.38667288
   0.58299442  0.89240640  0.14405578
   0.83443645  0.84801892  0.25679150
   0.65046496  0.66920609  0.46181125
   0.88361088  0.61183548  0.89168403
   0.63887326  0.94338752  0.62072438
   0.86037492  0.85716239  0.75297893
   0.08788274  0.07939003  0.15489092
   0.35344115  0.17110290  0.26986588
   0.14405549  0.32818933  0.02197716
   0.34561760  0.43067697  0.34490350
   0.56001327  0.34394425  0.21837939
   0.31169317  0.39491175  0.16255690
   0.21802065  0.11257324  0.42810198
  -0.00735175  0.20687562  0.40451207
   0.02369585  0.08297244  0.56543431
   0.47569910  0.25254900  0.76778766
   0.15151667  0.32555469  0.53383237
   0.35103721  0.48148736  0.84477803
   0.43430770  0.46984370  0.66367025
   0.21665322  0.36592415  0.71445512
   0.27048172  0.21621660 -0.12103973
   0.02658640  0.14196915  0.93029855
   0.14193072  0.58080730  0.09099552
   0.36976504  0.66051844  0.26308283
   0.11570679  0.83356016  0.04715617
   0.35898110  0.92272706  0.35035290
   0.42804464  0.89084559  0.16962994
   0.17449089  0.81467782  0.23311333
   0.33594902  0.67167277  0.45814900
   0.07843937  0.60412321  0.41485779
   0.16629526  0.58793662  0.59469187
   0.34912733  0.70910576  0.76036720
   0.12355531  0.83280362  0.50681390
   0.35779705  0.99781886  0.79162009
   0.46586351  0.92892743  0.61779746
   0.19769800  0.92678088  0.65585214
   0.28810360  0.67890827 -0.04981326
   0.03801233  0.65287590  0.92031352
   0.62918743  0.05256013  0.10778837
   0.85329279  0.19555357  0.24375701
   0.60417156  0.29651930  0.03951824
   0.85749522  0.44432180  0.37955520
   0.04919955  0.36189259  0.18627067
   0.80201518  0.42396419  0.13973013
   0.74398354  0.16191733  0.41873673
   0.48253323  0.12080544  0.43996945
   0.66716011  0.09684776  0.58253794
   0.84282447  0.21184140  0.79670147
   0.59352607  0.33131665  0.53031854
   0.86299189  0.45372698  0.85978966
   0.97792172  0.40683301  0.65455582
   0.70784625  0.42101932  0.69345506
   0.76729469  0.09768413  0.95747149
   0.51480290  0.09939522  0.92789238
   0.56831530  0.54941420  0.07377250
   0.89277875  0.70085467  0.29415266
   0.61317128  0.81205090  0.04818029
   0.88265597  0.95162372  0.34652473
   0.92068652  0.88348138  0.15762830
   0.67683124  0.85560059  0.23801473
   0.81383215  0.66686155  0.46644039
   0.57064923  0.57125203  0.38607719
   0.60564652  0.60526738  0.56814946
   0.84418106  0.70880831  0.79201043
   0.58754713  0.82893492  0.44335575
   0.91750962  0.94640998  0.84246410
   0.95113201  0.85277472  0.65516173
   0.70815465  0.91440112  0.72340846
   0.78335012  0.63354398  0.97684881
   0.54082173  0.68076088  0.90208553
   0.71614781  0.85025616  0.55588344
   0.53633865  0.84474996  0.38259418
   0.89847361  0.20056494  0.07061485
   0.90959426  0.35723106  0.37778302
   0.30773511  0.14284468  0.62770624
   0.41747564  0.78664990  0.76334826
   0.17353758  1.11056564  0.17537338
   0.22125287  1.07761744  0.03434527
   0.65212171  0.33442603  0.85222983
   0.91199688  0.40539910  0.60856988
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910810    0.082705   -0.097858
    -0.000000    9.737339    0.189222
    -0.000000    0.000000   13.993388
   Si   O    H 
    32    64    10
Direct configuration=  1814
   0.16500808  0.18088957 -0.02719512
   0.35377234  0.08537629  0.37519014
   0.16347403  0.41722559  0.11533545
   0.39990008  0.33498192  0.25255094
   0.10224276  0.17996970  0.48765906
   0.40724711  0.14151169  0.84064621
   0.13659993  0.43166418  0.62260659
   0.37250491  0.39115950  0.75098155
   0.14948283  0.69032778  0.00176979
   0.40345677  0.58499928  0.36889113
   0.08042687  0.90829923  0.14567000
   0.33159878  0.82752473  0.25408645
   0.17647489  0.67586042  0.49654987
   0.38982640  0.63870045  0.86430350
   0.06138797  0.92546804  0.59266939
   0.33908402  0.99704394  0.67387592
   0.62293047  0.14380489  1.00391908
   0.86903063  0.12853003  0.34760498
   0.63432089  0.40205612  0.12396349
   0.90435354  0.28903329  0.15437774
   0.62010616  0.17970868  0.48908542
   0.88616301  0.10199611  0.88011142
   0.58647965  0.44898069  0.60984326
   0.76534261  0.36027324  0.79273781
   0.62473669  0.66543702 -0.00278074
   0.91802671  0.59816931  0.38705617
   0.58196289  0.89209478  0.14358650
   0.83520596  0.84818358  0.25651467
   0.65154934  0.66914612  0.46236794
   0.88352848  0.61151596  0.89107032
   0.63853424  0.94505792  0.62050511
   0.86020213  0.85549049  0.75236917
   0.08818796  0.07838607  0.15489955
   0.35339252  0.17187485  0.26868718
   0.14213069  0.32688088  0.02173625
   0.34706634  0.43019052  0.34443475
   0.55981988  0.34296178  0.21768613
   0.31201956  0.39372594  0.16288130
   0.21767296  0.11239090  0.42742329
  -0.00810302  0.20804520  0.40397719
   0.02136851  0.08459725  0.56606991
   0.47691672  0.25417955  0.76779157
   0.15249305  0.32584238  0.53448904
   0.35324144  0.48223437  0.84470872
   0.43526415  0.47001126  0.66315671
   0.21743263  0.36627310  0.71496843
   0.27078372  0.21619938 -0.12178722
   0.02388586  0.14397042  0.92910933
   0.14256502  0.57962632  0.09104129
   0.36912792  0.66191271  0.26223143
   0.11801097  0.83066495  0.04576256
   0.35920257  0.92360894  0.35114154
   0.42751818  0.89058063  0.16911851
   0.17303181  0.81569527  0.23194216
   0.33527521  0.66938277  0.45719556
   0.07749863  0.60427389  0.41506648
   0.16703183  0.58748013  0.59546192
   0.34933523  0.70841320  0.76106207
   0.12453060  0.83338020  0.50700201
   0.35772528  1.00125441  0.78966177
   0.46532730  0.92809198  0.61765962
   0.19784239  0.92707083  0.65620058
   0.28651129  0.67686371 -0.04925945
   0.03586046  0.65349862  0.92054215
   0.63042699  0.05199706  0.10705117
   0.85248888  0.19363373  0.24287820
   0.60565965  0.29712544  0.04042967
   0.85687889  0.44435979  0.38042337
   0.04789220  0.36254317  0.18577712
   0.79959686  0.42402099  0.13979045
   0.74226843  0.16355473  0.41821427
   0.48076496  0.11971643  0.44093379
   0.66758564  0.09816084  0.58174785
   0.84218362  0.21297222  0.79621103
   0.59157708  0.33151587  0.53021694
   0.86306415  0.45511821  0.86053549
   0.97682096  0.40720388  0.65594911
   0.70602399  0.41993232  0.69353202
   0.76641447  0.09707156  0.95671120
   0.51464899  0.09898227  0.92724352
   0.56722858  0.54984288  0.07304405
   0.89227034  0.69866536  0.29291242
   0.61310566  0.81053335  0.04929463
   0.88135881  0.95464047  0.34656706
   0.92147808  0.88465603  0.15636995
   0.67782646  0.85474665  0.23833075
   0.81352832  0.66804786  0.46687553
   0.57146985  0.57190691  0.38627650
   0.60578736  0.60450255  0.56698991
   0.84341678  0.70770187  0.79236971
   0.58789404  0.82883898  0.44542287
   0.91658800  0.94694289  0.84251029
   0.94945980  0.85197142  0.65458559
   0.70951477  0.91279572  0.72362578
   0.78183442  0.63568008  0.97628513
   0.53945395  0.67926747  0.90156947
   0.71515743  0.85621689  0.55293414
   0.52978363  0.84928522  0.37913534
   0.89708801  0.20343244  0.06814834
   0.90350052  0.35668541  0.37595967
   0.30789739  0.14283830  0.62655897
   0.41594401  0.78989521  0.76238834
   0.17632133  1.11028192  0.17719418
   0.21430902  1.07703052  0.03270284
   0.65148742  0.32918810  0.85434959
   0.90232830  0.40194017  0.60616005
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910834    0.080461   -0.098630
    -0.000000    9.737001    0.188184
    -0.000000    0.000000   13.990286
   Si   O    H 
    32    64    10
Direct configuration=  1815
   0.16436299  0.18001841 -0.02734326
   0.35274887  0.08622027  0.37520557
   0.16413538  0.41646562  0.11579346
   0.40069852  0.33439537  0.25331138
   0.10301647  0.18018774  0.48766309
   0.40624468  0.14085016  0.84016902
   0.13722205  0.43165590  0.62255216
   0.37192650  0.39175959  0.75126775
   0.14897828  0.69023798  0.00221286
   0.40348865  0.58431860  0.36874430
   0.08017136  0.90991027  0.14593295
   0.33203678  0.82763696  0.25415455
   0.17625035  0.67631120  0.49547308
   0.38859255  0.63784903  0.86427750
   0.06086307  0.92538298  0.59296318
   0.33802248  0.99797864  0.67329011
   0.62261921  0.14336920  1.00287889
   0.86863097  0.12818192  0.34695718
   0.63407584  0.40206521  0.12380521
   0.90600312  0.28578141  0.15415418
   0.62160453  0.18057888  0.48877585
   0.88648862  0.10151968  0.88036865
   0.58618962  0.44829305  0.61086762
   0.76403013  0.35924727  0.79288459
   0.62441889  0.66628698 -0.00246800
   0.91871513  0.59807343  0.38803874
   0.58133713  0.89195705  0.14331575
   0.83677730  0.84758050  0.25622903
   0.65254841  0.66907710  0.46285782
   0.88388170  0.61120506  0.89047742
   0.63776510  0.94626231  0.62006212
   0.86012675  0.85450721  0.75188419
   0.08897782  0.07718250  0.15502633
   0.35278619  0.17256553  0.26762802
   0.14067316  0.32523266  0.02205190
   0.34875996  0.42960359  0.34366712
   0.55883681  0.34238999  0.21715652
   0.31112183  0.39215147  0.16346596
   0.21849122  0.11253600  0.42671508
  -0.00957837  0.20879676  0.40305884
   0.01892190  0.08586192  0.56718714
   0.47837657  0.25582345  0.76809820
   0.15296571  0.32550592  0.53502210
   0.35414465  0.48273005  0.84410854
   0.43641243  0.47001222  0.66261602
   0.21842412  0.36702261  0.71562106
   0.27097768  0.21664030 -0.12244227
   0.02089480  0.14626022  0.92805487
   0.14308186  0.57794591  0.09164565
   0.36935169  0.66357705  0.26203836
   0.12075326  0.82926314  0.04435193
   0.35981309  0.92480211  0.35111613
   0.42659776  0.89034802  0.16872289
   0.17179595  0.81788507  0.23046217
   0.33472418  0.66645380  0.45579212
   0.07656743  0.60400537  0.41579900
   0.16821585  0.58681998  0.59611098
   0.35035150  0.70913590  0.76199097
   0.12470629  0.83434073  0.50675591
   0.35774526  1.00389808  0.78770274
   0.46557674  0.92675317  0.61743957
   0.19807043  0.92775961  0.65692751
   0.28598147  0.67586891 -0.04887724
   0.03462492  0.65340361  0.92039320
   0.63090127  0.05069107  0.10632807
   0.85191847  0.19125836  0.24191548
   0.60672692  0.29740780  0.04071488
   0.85643013  0.44445490  0.38155167
   0.04763862  0.36365059  0.18525714
   0.79709229  0.42341078  0.13975473
   0.74157060  0.16547960  0.41767098
   0.47942816  0.11907053  0.44196781
   0.66725365  0.09931241  0.58132369
   0.84163042  0.21396769  0.79573473
   0.58919029  0.33167790  0.53023427
   0.86421590  0.45600113  0.86134631
   0.97614712  0.40791800  0.65685259
   0.70463118  0.41844792  0.69337335
   0.76570304  0.09721606  0.95586196
   0.51420683  0.09917437  0.92654818
   0.56645370  0.54976606  0.07296132
   0.89205049  0.69663419  0.29141698
   0.61282017  0.80901995  0.05006564
   0.88014144  0.95805617  0.34645030
   0.92293456  0.88612661  0.15543499
   0.67732853  0.85360985  0.23882356
   0.81382045  0.66921511  0.46754464
   0.57109498  0.57222016  0.38635166
   0.60590861  0.60381581  0.56631173
   0.84280617  0.70582919  0.79270881
   0.58814256  0.82940646  0.44624780
   0.91521329  0.94668791  0.84214920
   0.94829971  0.85104897  0.65456349
   0.70991557  0.91246032  0.72384889
   0.78032733  0.63739076  0.97598457
   0.53831174  0.67836362  0.90139977
   0.71264229  0.86003607  0.55400390
   0.52610107  0.85088458  0.38222084
   0.89938678  0.21063804  0.06795277
   0.89903865  0.36013444  0.37282985
   0.31086360  0.14225371  0.62996699
   0.40939060  0.78765031  0.75754416
   0.17714943  1.11447854  0.17786001
   0.21056253  1.06998078  0.03264759
   0.64759968  0.32560636  0.85744422
   0.89837703  0.40237678  0.60827082
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910651    0.078300   -0.099339
    -0.000000    9.736832    0.187407
    -0.000000    0.000000   13.987192
   Si   O    H 
    32    64    10
Direct configuration=  1816
   0.16397117  0.17897427 -0.02746679
   0.35235587  0.08747831  0.37520886
   0.16479207  0.41577362  0.11667548
   0.40157327  0.33406022  0.25372959
   0.10345347  0.18061502  0.48764751
   0.40534434  0.14025607  0.83986774
   0.13748451  0.43039843  0.62284114
   0.37114177  0.39194261  0.75123537
   0.14800854  0.68928265  0.00276085
   0.40380075  0.58392807  0.36923335
   0.07987650  0.91175546  0.14633810
   0.33243738  0.82765255  0.25412236
   0.17647505  0.67784095  0.49385795
   0.38678382  0.63725394  0.86409691
   0.06050454  0.92511150  0.59339202
   0.33689113  0.99967592  0.67232218
   0.62254807  0.14276605  1.00201443
   0.86740239  0.12746679  0.34613912
   0.63388916  0.40140308  0.12372774
   0.90691902  0.28301980  0.15427527
   0.62149513  0.18141045  0.48859310
   0.88602749  0.10096217  0.88066821
   0.58591943  0.44771470  0.61164383
   0.76251444  0.35919602  0.79349836
   0.62392480  0.66730395 -0.00200831
   0.91891876  0.59839670  0.38864570
   0.58103052  0.89238650  0.14313347
   0.83837108  0.84641202  0.25635195
   0.65276398  0.66942411  0.46341022
   0.88416190  0.61118445  0.88974716
   0.63635253  0.94696344  0.61963568
   0.86005590  0.85370238  0.75100029
   0.09013248  0.07558382  0.15447343
   0.35235409  0.17329273  0.26677218
   0.13942555  0.32352074  0.02216107
   0.35111280  0.42865963  0.34374698
   0.55754936  0.34223609  0.21703598
   0.31022718  0.39081328  0.16399922
   0.21851526  0.11279191  0.42604629
  -0.01148521  0.20974328  0.40292198
   0.01797246  0.08783717  0.56780682
   0.47947721  0.25711949  0.76846704
   0.15299152  0.32515666  0.53516038
   0.35521179  0.48334527  0.84324548
   0.43769744  0.47038927  0.66241046
   0.21878692  0.36875576  0.71641049
   0.27132207  0.21688473 -0.12259480
   0.01676606  0.14867177  0.92735916
   0.14387364  0.57609974  0.09242497
   0.36993253  0.66500845  0.26225008
   0.12364937  0.82968084  0.04405645
   0.35976218  0.92521345  0.35042878
   0.42565231  0.88954525  0.16843154
   0.17110512  0.82005029  0.22886908
   0.33316633  0.66408720  0.45443485
   0.07627352  0.60427275  0.41699683
   0.16905118  0.58599335  0.59669900
   0.35177906  0.70964920  0.76244057
   0.12525711  0.83558853  0.50603533
   0.35873701  1.00571077  0.78605290
   0.46496912  0.92505314  0.61738989
   0.19850322  0.92746823  0.65815873
   0.28634681  0.67515763 -0.04876969
   0.03425701  0.65263973  0.91984858
   0.63104725  0.04898200  0.10529570
   0.85104046  0.18937918  0.24120232
   0.60753959  0.29646693  0.04090441
   0.85526920  0.44563957  0.38242607
   0.04668901  0.36486105  0.18429189
   0.79472656  0.42185727  0.13940044
   0.74094139  0.16730215  0.41716507
   0.47908591  0.11850410  0.44327516
   0.66690022  0.10024866  0.58130378
   0.84067562  0.21497981  0.79560148
   0.58759369  0.33234821  0.52987413
   0.86543672  0.45622164  0.86177593
   0.97490594  0.40868364  0.65769396
   0.70291185  0.41729291  0.69325403
   0.76462137  0.09781060  0.95518024
   0.51353049  0.09939628  0.92542848
   0.56561617  0.54890979  0.07340962
   0.89108982  0.69476972  0.28965512
   0.61234466  0.80838668  0.05127137
   0.87950303  0.96093715  0.34544862
   0.92340657  0.88759244  0.15442151
   0.67604461  0.85182836  0.23951713
   0.81463454  0.66951264  0.46797173
   0.57096301  0.57265617  0.38619081
   0.60558756  0.60310243  0.56571013
   0.84148515  0.70368780  0.79329264
   0.58867672  0.82923804  0.44658064
   0.91369882  0.94612976  0.84177015
   0.94719183  0.84945488  0.65432680
   0.70980462  0.91174297  0.72398848
   0.77984692  0.63863072  0.97598401
   0.53877627  0.67797871  0.90087743
   0.71053665  0.86174775  0.55624350
   0.52927320  0.85058403  0.39499275
   0.90044032  0.21497849  0.06621730
   0.90530926  0.35732225  0.36856959
   0.31546355  0.14039518  0.63086444
   0.40122280  0.78615229  0.75141754
   0.17409663  1.11635828  0.18166385
   0.20943845  1.06092377  0.03194966
   0.64410042  0.32635979  0.86017822
   0.90419243  0.40376226  0.61378404
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910680    0.076231   -0.100570
    -0.000000    9.736708    0.186409
    -0.000000    0.000000   13.984062
   Si   O    H 
    32    64    10
Direct configuration=  1817
   0.16402197  0.17749240 -0.02779323
   0.35254628  0.08887117  0.37463928
   0.16518812  0.41546559  0.11777220
   0.40280866  0.33395034  0.25434048
   0.10361089  0.18100414  0.48801729
   0.40534736  0.13951774  0.83955851
   0.13717389  0.42868007  0.62328317
   0.37067968  0.39178567  0.75112427
   0.14682218  0.68834357  0.00270796
   0.40428871  0.58318927  0.36988820
   0.07893955  0.91248418  0.14704638
   0.33197270  0.82792826  0.25410933
   0.17678037  0.67914611  0.49243418
   0.38481934  0.63667972  0.86411810
   0.06064551  0.92519352  0.59400021
   0.33629844  1.00149187  0.67180174
   0.62275997  0.14183292  1.00092101
   0.86609868  0.12714912  0.34511618
   0.63324219  0.40191217  0.12340891
   0.90744217  0.28147177  0.15434310
   0.62091853  0.18196001  0.48829782
   0.88531636  0.10048992  0.88077840
   0.58536902  0.44739273  0.61213476
   0.76132164  0.35978423  0.79453524
   0.62352425  0.66791759 -0.00183681
   0.91939249  0.59892613  0.38955434
   0.58156482  0.89355604  0.14296831
   0.84019268  0.84563527  0.25682595
   0.65305797  0.67011571  0.46373818
   0.88460673  0.61038801  0.88873542
   0.63495872  0.94807331  0.61983889
   0.85941286  0.85335325  0.74983164
   0.09184835  0.07540873  0.15454085
   0.35220492  0.17349612  0.26642359
   0.13820161  0.32123134  0.02289079
   0.35298319  0.42749433  0.34428750
   0.55545980  0.34189083  0.21718635
   0.30991698  0.38904804  0.16451030
   0.21790204  0.11252969  0.42577411
  -0.01302940  0.21038288  0.40303836
   0.01741308  0.08878398  0.56822861
   0.48033595  0.25715600  0.76854316
   0.15269052  0.32495270  0.53476987
   0.35640899  0.48363386  0.84238767
   0.43987596  0.46998631  0.66196352
   0.21922152  0.37058869  0.71700051
   0.27053188  0.21676546 -0.12268944
   0.01348222  0.15111414  0.92752280
   0.14452914  0.57479495  0.09357306
   0.37116380  0.66633686  0.26301405
   0.12592833  0.83131073  0.04399406
   0.35988444  0.92483631  0.34985051
   0.42410822  0.88875088  0.16814414
   0.16993110  0.82315882  0.22729941
   0.33122392  0.66254721  0.45305367
   0.07604682  0.60464601  0.41844687
   0.16999401  0.58563175  0.59661295
   0.35330610  0.70910615  0.76313589
   0.12511972  0.83711563  0.50485103
   0.35897697  1.00661034  0.78419981
   0.46577381  0.92264847  0.61784674
   0.19751325  0.92646176  0.65903294
   0.28698376  0.67529099 -0.04836113
   0.03380842  0.65214624  0.91961809
   0.62990619  0.04717685  0.10416965
   0.85004347  0.18853916  0.24100721
   0.60909883  0.29555408  0.04085028
   0.85397908  0.44608165  0.38296384
   0.04545601  0.36623661  0.18339177
   0.79263663  0.41958929  0.13910025
   0.74059552  0.16988645  0.41686356
   0.47814368  0.11793255  0.44371241
   0.66678683  0.10054831  0.58110026
   0.83930420  0.21567801  0.79450364
   0.58582163  0.33389404  0.52965427
   0.86706800  0.45546262  0.86196769
   0.97424400  0.40902934  0.65831115
   0.70087549  0.41582337  0.69214559
   0.76371603  0.09844991  0.95485574
   0.51191699  0.09949376  0.92492865
   0.56525733  0.54801520  0.07403302
   0.89024987  0.69386429  0.28881177
   0.61141110  0.80761279  0.05215992
   0.87964342  0.96361701  0.34426687
   0.92311250  0.88925475  0.15357389
   0.67399805  0.85072273  0.23998198
   0.81578805  0.66982476  0.46789104
   0.57070654  0.57341123  0.38608732
   0.60498192  0.60303973  0.56551088
   0.84100493  0.70083658  0.79350870
   0.58934311  0.82989075  0.44752341
   0.91289724  0.94612188  0.84102148
   0.94644450  0.84767905  0.65396399
   0.70973375  0.91085738  0.72437001
   0.77964388  0.63924131  0.97597942
   0.53888972  0.67809435  0.90001964
   0.70813686  0.86495434  0.55566265
   0.52705708  0.85187380  0.40540907
   0.90217783  0.21590316  0.06147105
   0.91384531  0.35703760  0.36581930
   0.32291507  0.13988091  0.62984084
   0.39992560  0.79939639  0.74102530
   0.17274124  1.11553486  0.18253018
   0.20946290  1.05328882  0.03097044
   0.64300367  0.32812439  0.86086304
   0.90052080  0.40154893  0.61597246
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910681    0.074285   -0.102359
    -0.000000    9.736625    0.185543
    -0.000000    0.000000   13.981828
   Si   O    H 
    32    64    10
Direct configuration=  1818
   0.16437508  0.17613065 -0.02885221
   0.35276639  0.08952002  0.37423210
   0.16541390  0.41508215  0.11907848
   0.40381577  0.33422088  0.25495809
   0.10368823  0.18198989  0.48780480
   0.40578080  0.13914876  0.83936187
   0.13628043  0.42612445  0.62387034
   0.37038631  0.39162861  0.75072131
   0.14550340  0.68744270  0.00259597
   0.40460176  0.58199964  0.37046099
   0.07845316  0.91234610  0.14749008
   0.33149405  0.82825900  0.25446003
   0.17706285  0.67936120  0.49157106
   0.38331853  0.63622735  0.86462376
   0.06140238  0.92591748  0.59457400
   0.33518948  1.00330208  0.67128419
   0.62262975  0.14071820  1.00026052
   0.86522184  0.12723137  0.34453403
   0.63260490  0.40329981  0.12324486
   0.90739934  0.28013822  0.15413624
   0.62047334  0.18256216  0.48801501
   0.88438809  0.10080639  0.88063504
   0.58441757  0.44668044  0.61238349
   0.76062746  0.36048575  0.79559407
   0.62323884  0.66803895 -0.00208508
   0.92054916  0.59900220  0.39029995
   0.58236192  0.89523413  0.14274432
   0.84196179  0.84459592  0.25735343
   0.65349087  0.67109641  0.46451349
   0.88452078  0.61039531  0.88789173
   0.63396954  0.94912348  0.62011861
   0.85842041  0.85254319  0.74931786
   0.09263188  0.07571112  0.15421639
   0.35197018  0.17389366  0.26599800
   0.13781688  0.31947310  0.02381167
   0.35490418  0.42575129  0.34482810
   0.55333830  0.34187395  0.21685765
   0.30981607  0.38743727  0.16520195
   0.21742190  0.11302527  0.42567137
  -0.01462917  0.21154528  0.40306129
   0.01659481  0.08908682  0.56766512
   0.47971947  0.25745832  0.76869038
   0.15243930  0.32431946  0.53388823
   0.35753059  0.48391698  0.84178916
   0.44251247  0.47010235  0.66175093
   0.21994801  0.37312502  0.71795227
   0.26966945  0.21673889 -0.12221979
   0.01159829  0.15343634  0.92822955
   0.14589925  0.57346733  0.09437555
   0.37306761  0.66716443  0.26404106
   0.12821039  0.83439606  0.04383771
   0.35996729  0.92501818  0.34906102
   0.42212186  0.88794438  0.16817751
   0.16820983  0.82578293  0.22626912
   0.32957774  0.66212700  0.45201878
   0.07638076  0.60585523  0.41912325
   0.17105411  0.58470516  0.59704379
   0.35548639  0.70927039  0.76338047
   0.12468699  0.83918092  0.50366357
   0.35876265  1.00718473  0.78237064
   0.46634985  0.92071223  0.61872779
   0.19704672  0.92581565  0.65971361
   0.28855954  0.67501679 -0.04840546
   0.03327263  0.65143285  0.91949772
   0.62812614  0.04561052  0.10319306
   0.84900242  0.18828971  0.24054898
   0.61041102  0.29408393  0.04021720
   0.85355132  0.44521255  0.38329121
   0.04388467  0.36749630  0.18287048
   0.79057859  0.41747292  0.13920350
   0.74025183  0.17215854  0.41621173
   0.47784533  0.11799580  0.44397390
   0.66785277  0.10109550  0.58130094
   0.83933818  0.21580456  0.79331390
   0.58386493  0.33488935  0.52924616
   0.86885102  0.45395716  0.86203934
   0.97415599  0.40998018  0.65861688
   0.70023874  0.41416490  0.69110875
   0.76308333  0.09944655  0.95503438
   0.51027771  0.09920400  0.92424726
   0.56468474  0.54673648  0.07527435
   0.88908170  0.69237783  0.28841349
   0.61074966  0.80755229  0.05278819
   0.87918366  0.96570818  0.34290594
   0.92205754  0.88987766  0.15385279
   0.67301486  0.85002479  0.24005451
   0.81786751  0.66961424  0.46770666
   0.57050104  0.57395216  0.38606043
   0.60432268  0.60299158  0.56506060
   0.84038326  0.69852773  0.79309719
   0.59170596  0.82972108  0.44897179
   0.91163728  0.94625035  0.83997895
   0.94531858  0.84636999  0.65354265
   0.70929836  0.91023109  0.72513630
   0.77964141  0.63911118  0.97619052
   0.53884404  0.67793561  0.89920094
   0.70426975  0.86379350  0.55760525
   0.50853317  0.85764730  0.40253842
   0.90482063  0.21613492  0.05793151
   0.92160719  0.36654173  0.36475260
   0.32790861  0.14167113  0.62786682
   0.39446512  0.80284852  0.73542628
   0.17223722  1.11546293  0.18172598
   0.21170765  1.05049325  0.02812250
   0.64439348  0.33541313  0.85817225
   0.89237355  0.40132215  0.61626626
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910526    0.072599   -0.103721
    -0.000000    9.736403    0.184492
    -0.000000    0.000000   13.979646
   Si   O    H 
    32    64    10
Direct configuration=  1819
   0.16425040  0.17448625 -0.02999293
   0.35320633  0.08998907  0.37332111
   0.16538936  0.41527212  0.11977988
   0.40417968  0.33403180  0.25559900
   0.10336998  0.18330777  0.48780229
   0.40567524  0.13932461  0.83958144
   0.13485621  0.42427897  0.62431188
   0.37035177  0.39115716  0.75016145
   0.14383534  0.68625630  0.00205509
   0.40458098  0.58075478  0.37064110
   0.07875623  0.91236070  0.14733325
   0.33040226  0.82889920  0.25446364
   0.17669782  0.67908813  0.49093774
   0.38235926  0.63700276  0.86515339
   0.06189000  0.92589163  0.59528690
   0.33446666  1.00503548  0.67050233
   0.62288270  0.13931149  1.00008661
   0.86382662  0.12752584  0.34455279
   0.63149586  0.40405869  0.12336544
   0.90690209  0.27913920  0.15407182
   0.61931667  0.18262470  0.48764317
   0.88345731  0.10153754  0.88034902
   0.58328195  0.44656436  0.61191620
   0.75984235  0.36138109  0.79635784
   0.62279311  0.66820266 -0.00198563
   0.92126388  0.59968488  0.39055897
   0.58271453  0.89691601  0.14289208
   0.84393020  0.84423567  0.25782414
   0.65397767  0.67256015  0.46514767
   0.88443834  0.61076709  0.88686134
   0.63270856  0.94950679  0.62049877
   0.85708893  0.85178442  0.74895616
   0.09388861  0.07633531  0.15397738
   0.35172207  0.17405461  0.26546225
   0.13730133  0.31798266  0.02458517
   0.35525286  0.42456349  0.34494491
   0.55244859  0.34224345  0.21615872
   0.30978525  0.38663741  0.16575998
   0.21653501  0.11282423  0.42551811
  -0.01580844  0.21269124  0.40257547
   0.01646645  0.08880327  0.56664425
   0.47733769  0.25759780  0.76818594
   0.15216266  0.32337280  0.53295144
   0.35862490  0.48274891  0.84149167
   0.44469623  0.47017441  0.66196127
   0.21991600  0.37561629  0.71834940
   0.26980799  0.21634265 -0.12195185
   0.01097644  0.15541840  0.92953072
   0.14641831  0.57300981  0.09469620
   0.37569937  0.66779140  0.26512088
   0.13049441  0.83824580  0.04345484
   0.36025740  0.92494186  0.34766180
   0.42052468  0.88796440  0.16811424
   0.16759835  0.82874871  0.22516347
   0.32727745  0.66100389  0.45070314
   0.07644915  0.60635743  0.41957438
   0.17202356  0.58370496  0.59727697
   0.35773215  0.71009441  0.76294639
   0.12429679  0.84162650  0.50237083
   0.35877116  1.00693075  0.78096794
   0.46679347  0.91833471  0.62002928
   0.19606059  0.92524287  0.66061524
   0.28988785  0.67494461 -0.04803338
   0.03327393  0.65123883  0.91992489
   0.62596034  0.04498859  0.10129940
   0.84850364  0.18778475  0.23993532
   0.61099789  0.29271743  0.03866972
   0.85353236  0.44441604  0.38317362
   0.04199854  0.36943925  0.18212592
   0.78904781  0.41527544  0.13949948
   0.74054624  0.17340131  0.41566691
   0.47746287  0.11809076  0.44393374
   0.66873423  0.10234258  0.58155146
   0.83970055  0.21495313  0.79217097
   0.58157367  0.33544747  0.52881142
   0.87039984  0.45187977  0.86154267
   0.97391474  0.40978072  0.65824851
   0.69997742  0.41296098  0.69056920
   0.76184463  0.10070070  0.95421337
   0.50913315  0.09905402  0.92412327
   0.56461559  0.54561949  0.07662620
   0.88729062  0.69128308  0.28849504
   0.60995019  0.80747774  0.05300254
   0.87930105  0.96645134  0.34120062
   0.92132367  0.89028831  0.15459755
   0.67161717  0.84933646  0.23997189
   0.82031753  0.66884189  0.46745585
   0.56976127  0.57582072  0.38646990
   0.60366639  0.60250108  0.56485587
   0.83903812  0.69630202  0.79297231
   0.59374630  0.82960592  0.44994346
   0.91021047  0.94604984  0.83895017
   0.94406392  0.84553519  0.65304412
   0.70873720  0.91012005  0.72560289
   0.77960473  0.63964329  0.97617908
   0.53862928  0.67749270  0.89846284
   0.70126405  0.86282295  0.55833049
   0.49544036  0.85430977  0.40636562
   0.90495772  0.22027272  0.05857638
   0.92115839  0.38337743  0.36836535
   0.32844764  0.14041777  0.62576752
   0.38432917  0.79301840  0.73321595
   0.17492652  1.11713605  0.17907197
   0.21342978  1.04971851  0.02361912
   0.64811668  0.34423918  0.85376035
   0.89073961  0.40106617  0.61763337
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910443    0.070325   -0.104899
    -0.000000    9.736006    0.182992
    -0.000000    0.000000   13.977253
   Si   O    H 
    32    64    10
Direct configuration=  1820
   0.16380638  0.17321600 -0.03111282
   0.35414928  0.09058533  0.37248030
   0.16553602  0.41505175  0.11986138
   0.40427024  0.33384844  0.25644241
   0.10203659  0.18465222  0.48774599
   0.40496878  0.14015641  0.84003305
   0.13343326  0.42275606  0.62441896
   0.36970084  0.39067716  0.74956710
   0.14297744  0.68547229  0.00137859
   0.40507776  0.57931378  0.37058035
   0.07930752  0.91223259  0.14714440
   0.32912733  0.82903028  0.25434575
   0.17654341  0.67921356  0.49134634
   0.38172104  0.63833203  0.86552561
   0.06235815  0.92560594  0.59596911
   0.33378915  1.00642239  0.66954579
   0.62283739  0.13791305  1.00044786
   0.86189907  0.12783171  0.34500064
   0.63001307  0.40494389  0.12323886
   0.90651004  0.27876145  0.15376943
   0.61796833  0.18302318  0.48743745
   0.88146504  0.10186066  0.88002544
   0.58251170  0.44662299  0.61113903
   0.75903377  0.36211776  0.79713158
   0.62201689  0.66817467 -0.00148500
   0.92150345  0.60058286  0.39082274
   0.58297209  0.89876099  0.14297012
   0.84581234  0.84408620  0.25783623
   0.65404623  0.67388064  0.46608665
   0.88406014  0.61149371  0.88596394
   0.63187071  0.94957686  0.62108578
   0.85564554  0.85031814  0.74885714
   0.09460464  0.07703507  0.15312916
   0.35155080  0.17476012  0.26533450
   0.13762202  0.31758650  0.02517425
   0.35629809  0.42346904  0.34573498
   0.55197991  0.34323930  0.21513128
   0.31001892  0.38603803  0.16556373
   0.21561566  0.11275728  0.42579624
  -0.01680540  0.21367086  0.40175249
   0.01704668  0.08804855  0.56568876
   0.47399778  0.25714217  0.76729377
   0.15161681  0.32192927  0.53194076
   0.35950696  0.48211361  0.84134874
   0.44621078  0.47052638  0.66188746
   0.21978608  0.37705062  0.71824932
   0.27043975  0.21591144 -0.12181318
   0.00978464  0.15815161  0.93087537
   0.14672348  0.57409311  0.09461113
   0.37845835  0.66867736  0.26630647
   0.13271800  0.84174809  0.04372768
   0.36037894  0.92541576  0.34666088
   0.41916068  0.88744685  0.16804639
   0.16841662  0.83171966  0.22424730
   0.32471676  0.66008745  0.44979883
   0.07621954  0.60761173  0.41989862
   0.17325218  0.58242123  0.59766053
   0.35927013  0.71023711  0.76244947
   0.12303307  0.84380867  0.50092784
   0.35878303  1.00752896  0.77983949
   0.46755107  0.91625433  0.62144933
   0.19516651  0.92418681  0.66149577
   0.29100325  0.67450988 -0.04754732
   0.03330520  0.65181051  0.92043676
   0.62462889  0.04465933  0.09960628
   0.84735201  0.18819277  0.23947439
   0.61113561  0.29185947  0.03673730
   0.85308739  0.44444581  0.38310690
   0.03965979  0.37155752  0.18199026
   0.78710985  0.41249847  0.14004714
   0.74085702  0.17468744  0.41499708
   0.47762143  0.11896512  0.44429815
   0.66853043  0.10307181  0.58211837
   0.83975735  0.21272623  0.79119064
   0.57901513  0.33682524  0.52816264
   0.87158214  0.44984086  0.86098031
   0.97299194  0.40898593  0.65800808
   0.70009871  0.41202191  0.69031681
   0.76121935  0.10149175  0.95364567
   0.50809324  0.09838874  0.92424383
   0.56466717  0.54511146  0.07798883
   0.88583367  0.69059920  0.28795233
   0.60907808  0.80707620  0.05397117
   0.87874460  0.96616473  0.33910076
   0.92034361  0.88942434  0.15567123
   0.67038588  0.84906548  0.23981514
   0.82313127  0.66875798  0.46744657
   0.56929539  0.57759263  0.38689516
   0.60291635  0.60173850  0.56445212
   0.83813268  0.69419962  0.79261740
   0.59456003  0.82910198  0.44976973
   0.90911655  0.94603774  0.83849862
   0.94350738  0.84526236  0.65241982
   0.70764274  0.90965509  0.72578987
   0.78057044  0.63932568  0.97640507
   0.53874814  0.67629793  0.89820031
   0.70265561  0.86116675  0.55880020
   0.49734276  0.84761517  0.41580948
   0.90299297  0.22650647  0.06053679
   0.92838136  0.39112448  0.36918540
   0.32929303  0.13886929  0.62348596
   0.37875355  0.78691202  0.72927210
   0.17929436  1.12162964  0.17704786
   0.21903798  1.05196059  0.01795157
   0.64606954  0.35106419  0.85434096
   0.89303350  0.40204094  0.62021294
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910552    0.068616   -0.106202
    -0.000000    9.735612    0.181364
    -0.000000    0.000000   13.975011
   Si   O    H 
    32    64    10
Direct configuration=  1821
   0.16347889  0.17237916 -0.03238135
   0.35564074  0.08984270  0.37169879
   0.16595557  0.41440841  0.11951180
   0.40323158  0.33360747  0.25725186
   0.10040858  0.18568870  0.48748184
   0.40435615  0.14148814  0.84111051
   0.13133450  0.42107556  0.62419110
   0.36899178  0.39021550  0.74895155
   0.14234402  0.68443523  0.00106010
   0.40582885  0.57825629  0.37029239
   0.08010328  0.91135774  0.14665121
   0.32692238  0.82922323  0.25434046
   0.17614096  0.67967180  0.49243443
   0.38115144  0.64005707  0.86614880
   0.06286197  0.92535439  0.59676483
   0.33326179  1.00763045  0.66835857
   0.62259080  0.13694299  1.00106648
   0.86072398  0.12774574  0.34565486
   0.62794431  0.40543763  0.12293707
   0.90575896  0.27907411  0.15392447
   0.61644079  0.18341695  0.48785843
   0.87963417  0.10177706  0.87881890
   0.58230283  0.44707706  0.61061668
   0.75869836  0.36272094  0.79808730
   0.62149955  0.66745197 -0.00027103
   0.92162800  0.60140057  0.39088247
   0.58252425  0.90008260  0.14294906
   0.84691003  0.84440087  0.25809141
   0.65427711  0.67511413  0.46691391
   0.88399623  0.61202257  0.88544852
   0.63247594  0.94900136  0.62177245
   0.85394833  0.84979476  0.74887240
   0.09503161  0.07799738  0.15235863
   0.35160641  0.17519522  0.26564152
   0.13788846  0.31718440  0.02561682
   0.35730313  0.42252603  0.34668838
   0.55174893  0.34392089  0.21421338
   0.30955875  0.38546376  0.16513623
   0.21492682  0.11292044  0.42628650
  -0.01758592  0.21488219  0.40079131
   0.01820069  0.08647672  0.56430331
   0.47133969  0.25712832  0.76641767
   0.15115947  0.32145192  0.53144698
   0.36019786  0.48090935  0.84128817
   0.44785875  0.47036250  0.66180247
   0.21938064  0.37795898  0.71737745
   0.27074001  0.21542645 -0.12118271
   0.00958528  0.16048324  0.93233005
   0.14735599  0.57524913  0.09427525
   0.38087585  0.66961293  0.26752385
   0.13515535  0.84455373  0.04351135
   0.36149344  0.92615848  0.34652220
   0.41809439  0.88766448  0.16769383
   0.16891249  0.83411482  0.22346167
   0.32123766  0.65903343  0.44951762
   0.07598729  0.60791262  0.41972932
   0.17490570  0.58192152  0.59719514
   0.36037745  0.70943847  0.76226037
   0.12151246  0.84542018  0.49977525
   0.35842500  1.00874944  0.77998871
   0.46802997  0.91506380  0.62302417
   0.19510548  0.92400161  0.66171533
   0.29052848  0.67433552 -0.04676278
   0.03377786  0.65233970  0.92130668
   0.62292279  0.04469013  0.09755584
   0.84596814  0.18823584  0.23875172
   0.61083757  0.29098420  0.03527322
   0.85210849  0.44475391  0.38354437
   0.03728232  0.37278121  0.18223586
   0.78709312  0.41015407  0.14107658
   0.74080711  0.17551582  0.41434034
   0.47791521  0.11997141  0.44472153
   0.66840126  0.10478711  0.58288758
   0.83924794  0.21000479  0.79050486
   0.57732448  0.33791904  0.52690747
   0.87224562  0.44800496  0.86096533
   0.97300359  0.40841609  0.65765218
   0.70013450  0.41026117  0.69024688
   0.76089437  0.10291603  0.95268500
   0.50709278  0.09762484  0.92445557
   0.56446400  0.54484577  0.07916077
   0.88507161  0.69001880  0.28736219
   0.60838774  0.80726065  0.05475534
   0.87883403  0.96536816  0.33709834
   0.91970258  0.88790126  0.15693968
   0.67017672  0.84910698  0.23917575
   0.82571050  0.66860447  0.46753130
   0.56860929  0.57928053  0.38721849
   0.60252252  0.60056298  0.56405399
   0.83773164  0.69294152  0.79213903
   0.59465184  0.82891577  0.44965881
   0.90802820  0.94662144  0.83742964
   0.94238829  0.84510834  0.65183124
   0.70674387  0.90934863  0.72591093
   0.78058190  0.63889683  0.97689882
   0.53921863  0.67557058  0.89812453
   0.71015153  0.85680437  0.56143802
   0.50854450  0.83939364  0.42505769
   0.90174382  0.23117474  0.06148700
   0.94351804  0.38402398  0.36596625
   0.33102028  0.14061534  0.61772552
   0.38183952  0.79449836  0.71942592
   0.17960678  1.12252300  0.17516539
   0.22349064  1.05359251  0.01494667
   0.64379359  0.35805028  0.85671069
   0.89332194  0.40544682  0.61736356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910271    0.066518   -0.106941
    -0.000000    9.735326    0.180555
    -0.000000    0.000000   13.972555
   Si   O    H 
    32    64    10
Direct configuration=  1822
   0.16356135  0.17162410 -0.03353969
   0.35689904  0.08946552  0.37066083
   0.16651875  0.41357361  0.11891955
   0.40185053  0.33343752  0.25742991
   0.09796734  0.18658929  0.48743317
   0.40384591  0.14282074  0.84166849
   0.12905455  0.41996770  0.62393247
   0.36855413  0.39023744  0.74833986
   0.14190152  0.68386851  0.00128955
   0.40643992  0.57714113  0.36989474
   0.08095459  0.91063213  0.14558829
   0.32531092  0.82906919  0.25414024
   0.17598898  0.68044273  0.49350819
   0.38078809  0.64147684  0.86685391
   0.06323586  0.92524436  0.59730088
   0.33298129  1.00894590  0.66710056
   0.62278235  0.13684723  1.00189974
   0.85985121  0.12840123  0.34653045
   0.62618450  0.40516677  0.12217676
   0.90508555  0.27947011  0.15354120
   0.61577187  0.18356175  0.48808693
   0.87825408  0.10232083  0.87739565
   0.58293740  0.44757489  0.61040954
   0.75906010  0.36245064  0.79891136
   0.62129050  0.66656115  0.00133637
   0.92181347  0.60183860  0.39047254
   0.58235244  0.90093028  0.14333405
   0.84771875  0.84485416  0.25815300
   0.65460396  0.67612433  0.46766900
   0.88405580  0.61239049  0.88495343
   0.63300003  0.94776627  0.62250909
   0.85221786  0.84908799  0.74913734
   0.09586837  0.07888607  0.15128507
   0.35180389  0.17457734  0.26652732
   0.13850605  0.31711060  0.02647002
   0.35876826  0.42157561  0.34750932
   0.55169673  0.34409772  0.21341866
   0.30974091  0.38562276  0.16494501
   0.21479538  0.11218401  0.42659568
  -0.01839785  0.21529558  0.39974286
   0.01964516  0.08426290  0.56290578
   0.46889422  0.25665759  0.76567031
   0.15047053  0.32098223  0.53133988
   0.36140044  0.48058653  0.84160089
   0.44900927  0.46904313  0.66232752
   0.21869690  0.37785013  0.71642577
   0.27050507  0.21547524 -0.12020800
   0.01010437  0.16278140  0.93346453
   0.14798338  0.57745522  0.09392080
   0.38338882  0.67086830  0.26866304
   0.13684460  0.84729898  0.04350719
   0.36211592  0.92648457  0.34650802
   0.41761047  0.88785087  0.16748312
   0.16951126  0.83476757  0.22352461
   0.31843409  0.65875500  0.44926125
   0.07595924  0.60847544  0.41902341
   0.17674255  0.58242830  0.59625492
   0.36136713  0.70860519  0.76185699
   0.11934773  0.84670850  0.49951762
   0.35847995  1.00923008  0.78040094
   0.46883373  0.91442911  0.62473795
   0.19592980  0.92466447  0.66213496
   0.28956912  0.67457924 -0.04592701
   0.03410535  0.65249383  0.92193466
   0.62166159  0.04467466  0.09611253
   0.84455171  0.18824850  0.23764080
   0.61109064  0.29069027  0.03385825
   0.85226694  0.44560098  0.38351959
   0.03530082  0.37372229  0.18256842
   0.78663441  0.40728080  0.14236240
   0.74060560  0.17637578  0.41351448
   0.47864696  0.12020705  0.44512908
   0.66823992  0.10630630  0.58404711
   0.83882145  0.20774329  0.79008942
   0.57619749  0.33842858  0.52565126
   0.87335988  0.44684929  0.86138327
   0.97269128  0.40710068  0.65720471
   0.70085050  0.40893019  0.69017558
   0.76144031  0.10425939  0.95148150
   0.50536582  0.09725634  0.92490255
   0.56420714  0.54560984  0.07995123
   0.88340396  0.68945922  0.28676758
   0.60799182  0.80740188  0.05577033
   0.87915317  0.96431505  0.33559079
   0.91948109  0.88686833  0.15858263
   0.66999486  0.84922071  0.23845836
   0.82808748  0.66945116  0.46822000
   0.56845170  0.58063410  0.38793025
   0.60183975  0.59980828  0.56378432
   0.83712836  0.69255203  0.79158514
   0.59521417  0.82921765  0.44942853
   0.90698802  0.94639667  0.83659225
   0.94078343  0.84456246  0.65122652
   0.70576090  0.90919734  0.72609917
   0.78068477  0.63905237  0.97749581
   0.53933050  0.67418379  0.89801245
   0.71296947  0.85097652  0.56588745
   0.50666498  0.83459380  0.42955152
   0.90195689  0.23454104  0.05814322
   0.95070598  0.38583430  0.36591228
   0.33024936  0.14461071  0.61489878
   0.38727253  0.78984404  0.71560960
   0.17944870  1.11812889  0.17099862
   0.23155362  1.05464175  0.01135341
   0.63731433  0.36422475  0.86168945
   0.89342440  0.40990282  0.61414097
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909963    0.065035   -0.107109
    -0.000000    9.735334    0.180351
    -0.000000    0.000000   13.970480
   Si   O    H 
    32    64    10
Direct configuration=  1823
   0.16360017  0.17156166 -0.03458237
   0.35781691  0.08930735  0.37020128
   0.16647980  0.41300724  0.11823317
   0.40101173  0.33368867  0.25696786
   0.09562546  0.18782338  0.48718078
   0.40363337  0.14381758  0.84218810
   0.12768093  0.41890459  0.62360733
   0.36780141  0.38982371  0.74762411
   0.14158691  0.68387942  0.00206893
   0.40700193  0.57634740  0.36966994
   0.08153427  0.90995769  0.14420219
   0.32402495  0.82936404  0.25379338
   0.17557008  0.68156064  0.49449157
   0.38025052  0.64288588  0.86737957
   0.06338788  0.92532939  0.59831525
   0.33274018  1.01016936  0.66598807
   0.62243805  0.13697649  1.00239349
   0.86003771  0.12915931  0.34751811
   0.62509831  0.40429972  0.12133344
   0.90399890  0.28002972  0.15330117
   0.61452683  0.18348645  0.48848600
   0.87699678  0.10298319  0.87569325
   0.58386475  0.44743035  0.60994341
   0.75942948  0.36215886  0.79968240
   0.62081252  0.66596902  0.00251650
   0.92205791  0.60291020  0.38967590
   0.58273360  0.90155883  0.14403908
   0.84722943  0.84501036  0.25789643
   0.65573588  0.67686843  0.46870456
   0.88392679  0.61288051  0.88495894
   0.63331943  0.94691528  0.62340963
   0.85097308  0.84828917  0.74940747
   0.09600684  0.07999813  0.15057510
   0.35301732  0.17408155  0.26799334
   0.13893107  0.31629689  0.02664125
   0.35975949  0.42117500  0.34792759
   0.55180235  0.34423944  0.21312606
   0.30993602  0.38593820  0.16438377
   0.21479671  0.11130790  0.42731199
  -0.01994728  0.21535452  0.39906940
   0.02098602  0.08255648  0.56207158
   0.46589211  0.25612504  0.76506666
   0.14963943  0.32092013  0.53180074
   0.36253124  0.47911169  0.84276394
   0.44834452  0.46836580  0.66244935
   0.21692881  0.37682118  0.71506853
   0.27005407  0.21612105 -0.11913445
   0.00949732  0.16440934  0.93428481
   0.14770743  0.57918168  0.09350518
   0.38526066  0.67295872  0.27015021
   0.13753119  0.85012670  0.04290340
   0.36225120  0.92652816  0.34615303
   0.41830677  0.88768108  0.16696147
   0.17012666  0.83485056  0.22436334
   0.31560607  0.65906035  0.44897361
   0.07614548  0.60903247  0.41849953
   0.17798304  0.58311780  0.59507112
   0.36171883  0.70798932  0.76138129
   0.11773881  0.84718838  0.49915834
   0.35888296  1.01000521  0.78119627
   0.46884123  0.91421165  0.62636879
   0.19571486  0.92516893  0.66275928
   0.28789684  0.67444323 -0.04557472
   0.03491428  0.65309796  0.92291739
   0.62014865  0.04489787  0.09550087
   0.84319520  0.18808585  0.23627794
   0.61147968  0.29136154  0.03255596
   0.85315116  0.44596439  0.38330095
   0.03391303  0.37455823  0.18310813
   0.78633325  0.40467366  0.14362246
   0.73972536  0.17690686  0.41272756
   0.47914015  0.12010142  0.44516587
   0.66830757  0.10750711  0.58498359
   0.83887269  0.20552113  0.79015484
   0.57535432  0.33814048  0.52456071
   0.87404514  0.44610777  0.86090764
   0.97203859  0.40596828  0.65642966
   0.70218362  0.40783551  0.69069662
   0.76065115  0.10489657  0.95030096
   0.50427882  0.09735741  0.92492222
   0.56396878  0.54689343  0.08027167
   0.88211760  0.68805563  0.28667291
   0.60737775  0.80707408  0.05605518
   0.87934230  0.96337522  0.33448879
   0.91955930  0.88556590  0.16032237
   0.67009809  0.84860970  0.23766113
   0.82957574  0.66961074  0.46923217
   0.56849907  0.58167029  0.38848284
   0.60053497  0.59949721  0.56377421
   0.83564382  0.69279413  0.79115229
   0.59665876  0.82987942  0.44896861
   0.90566016  0.94609728  0.83537472
   0.93954560  0.84402335  0.65128794
   0.70481497  0.90938565  0.72647670
   0.78102864  0.63962390  0.97752254
   0.53994697  0.67330340  0.89802079
   0.71308565  0.84779926  0.57143699
   0.49326845  0.83309532  0.43114551
   0.90428024  0.23017732  0.05221162
   0.94267560  0.38933907  0.36799983
   0.33005380  0.14788535  0.61131208
   0.38792767  0.77459429  0.72128790
   0.18595763  1.11626749  0.16755267
   0.24142239  1.06032190  0.00614032
   0.63206257  0.36781671  0.86412756
   0.89980326  0.41399671  0.61272952
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909106    0.063469   -0.107465
    -0.000000    9.735367    0.179935
    -0.000000    0.000000   13.968635
   Si   O    H 
    32    64    10
Direct configuration=  1824
   0.16333568  0.17199735 -0.03556111
   0.35851795  0.08874545  0.36972218
   0.16550588  0.41222188  0.11761015
   0.40000191  0.33403813  0.25617617
   0.09358655  0.18841349  0.48658466
   0.40310889  0.14491706  0.84245110
   0.12694464  0.41780766  0.62319322
   0.36737336  0.38958573  0.74691377
   0.14207163  0.68390988  0.00327534
   0.40765782  0.57640537  0.36901798
   0.08183206  0.90975057  0.14298144
   0.32396585  0.82973514  0.25334355
   0.17397851  0.68272635  0.49525917
   0.38050504  0.64505968  0.86724376
   0.06306041  0.92556557  0.59897740
   0.33223858  1.01106108  0.66458780
   0.62151927  0.13767738  1.00245000
   0.86013372  0.13034040  0.34849130
   0.62473187  0.40305069  0.12023446
   0.90306305  0.28087752  0.15304762
   0.61390462  0.18347320  0.48863610
   0.87655654  0.10395002  0.87439448
   0.58524513  0.44727597  0.60962062
   0.75972611  0.36238384  0.80022344
   0.62027465  0.66494483  0.00364087
   0.92187371  0.60480725  0.38871007
   0.58271200  0.90260555  0.14470029
   0.84607388  0.84507138  0.25793439
   0.65700134  0.67712638  0.46938318
   0.88412513  0.61283083  0.88524054
   0.63380457  0.94657059  0.62456965
   0.85028274  0.84725674  0.74980781
   0.09652262  0.08096705  0.14995171
   0.35370074  0.17458617  0.26929409
   0.13885347  0.31516407  0.02665922
   0.36185258  0.42007749  0.34811460
   0.55124251  0.34452545  0.21321649
   0.31018573  0.38640805  0.16373453
   0.21536517  0.11037722  0.42768359
  -0.02130820  0.21658070  0.39892227
   0.02216626  0.08068354  0.56130393
   0.46325570  0.25591015  0.76466835
   0.14901679  0.32116762  0.53205783
   0.36423747  0.47875719  0.84386422
   0.44689061  0.46750259  0.66233609
   0.21495587  0.37460492  0.71388686
   0.26941349  0.21627537 -0.11789858
   0.00829235  0.16555133  0.93502219
   0.14734513  0.58019290  0.09364057
   0.38518143  0.67529001  0.27196550
   0.13823055  0.85340796  0.04247981
   0.36240679  0.92729642  0.34579503
   0.41858561  0.88785581  0.16634366
   0.17041102  0.83454864  0.22570352
   0.31333055  0.65885772  0.44922951
   0.07600615  0.60896359  0.41838463
   0.17964354  0.58345166  0.59330294
   0.36110317  0.70696911  0.76136470
   0.11712675  0.84692640  0.49974758
   0.35975083  1.01058864  0.78194180
   0.46906423  0.91456003  0.62793312
   0.19535907  0.92580210  0.66355561
   0.28665028  0.67399508 -0.04543251
   0.03555907  0.65362176  0.92392688
   0.61876428  0.04484437  0.09486258
   0.84187829  0.18750755  0.23544704
   0.61183484  0.29235053  0.03202012
   0.85493474  0.44579518  0.38311150
   0.03268081  0.37470043  0.18339921
   0.78650061  0.40357644  0.14469022
   0.73875959  0.17787996  0.41203424
   0.47987859  0.12014878  0.44463297
   0.66818797  0.10803815  0.58600108
   0.83838221  0.20474379  0.78995691
   0.57490320  0.33731586  0.52315147
   0.87451497  0.44548065  0.86111108
   0.97245409  0.40524678  0.65583408
   0.70402937  0.40677903  0.69077319
   0.76040423  0.10479828  0.94956318
   0.50330706  0.09723310  0.92466105
   0.56406670  0.54853696  0.08050696
   0.88077751  0.68697265  0.28685572
   0.60713823  0.80666663  0.05641947
   0.87997236  0.96266115  0.33331397
   0.92039873  0.88437056  0.16160629
   0.67097629  0.84752449  0.23648688
   0.82990176  0.66969768  0.47039721
   0.56864571  0.58203041  0.38839369
   0.59986240  0.59804821  0.56366560
   0.83458302  0.69329472  0.79114946
   0.59683158  0.83077367  0.44919731
   0.90356686  0.94591168  0.83457251
   0.93863657  0.84406513  0.65158586
   0.70372906  0.90897393  0.72676083
   0.78147474  0.64033414  0.97677186
   0.54044601  0.67360793  0.89820690
   0.71235830  0.84226829  0.57596636
   0.49022730  0.82959584  0.43194920
   0.90478645  0.22396824  0.04840229
   0.92680012  0.39079565  0.37100914
   0.32828947  0.14767977  0.61210549
   0.39696291  0.77898847  0.72162181
   0.19207003  1.11287595  0.16794352
   0.24947347  1.06132018  0.00477779
   0.63218556  0.37490904  0.86095256
   0.90019595  0.41953367  0.60948557
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908405    0.062152   -0.108468
    -0.000000    9.735724    0.179729
    -0.000000    0.000000   13.966572
   Si   O    H 
    32    64    10
Direct configuration=  1825
   0.16330084  0.17296248 -0.03637530
   0.35835900  0.08816453  0.36896909
   0.16487183  0.41134464  0.11693775
   0.39943919  0.33437481  0.25521830
   0.09176163  0.18908433  0.48575472
   0.40270653  0.14609651  0.84235871
   0.12655708  0.41751893  0.62289698
   0.36758597  0.38925006  0.74617132
   0.14313162  0.68443187  0.00497005
   0.40837851  0.57687744  0.36845219
   0.08255581  0.90948190  0.14163973
   0.32450426  0.82947552  0.25326964
   0.17271375  0.68345997  0.49589833
   0.38179564  0.64700318  0.86653118
   0.06291483  0.92612829  0.59903687
   0.33234632  1.01185357  0.66360661
   0.62101601  0.13835456  1.00190694
   0.85982848  0.13160400  0.34875090
   0.62576744  0.40174641  0.11867574
   0.90189779  0.28207733  0.15248903
   0.61345521  0.18359631  0.48898003
   0.87695544  0.10460826  0.87358616
   0.58691153  0.44627418  0.60978362
   0.75969496  0.36239486  0.80078327
   0.61986627  0.66361678  0.00432751
   0.92080393  0.60663019  0.38766620
   0.58242614  0.90336994  0.14525664
   0.84443582  0.84461806  0.25827109
   0.65814411  0.67646455  0.46982420
   0.88436278  0.61184149  0.88606562
   0.63425148  0.94620239  0.62544849
   0.84965487  0.84673993  0.75029587
   0.09804804  0.08212817  0.14915233
   0.35445290  0.17534511  0.27105676
   0.13965821  0.31303717  0.02678434
   0.36332489  0.41936904  0.34804888
   0.55016221  0.34423944  0.21405698
   0.31090419  0.38761456  0.16367544
   0.21584422  0.10974950  0.42790701
  -0.02139124  0.21767790  0.39838502
   0.02408332  0.07857345  0.56123473
   0.46031120  0.25546498  0.76423601
   0.14848023  0.32192710  0.53179163
   0.36604385  0.47869340  0.84502101
   0.44536084  0.46588967  0.66224642
   0.21278882  0.37210906  0.71274720
   0.26845188  0.21711254 -0.11704015
   0.00743148  0.16657271  0.93515479
   0.14619954  0.58125963  0.09393768
   0.38431189  0.67785052  0.27349809
   0.13825340  0.85558833  0.04202579
   0.36250077  0.92754946  0.34529707
   0.41862476  0.88837279  0.16522664
   0.17019256  0.83433191  0.22701843
   0.31166690  0.65862601  0.44931334
   0.07560473  0.60909326  0.41797959
   0.18033993  0.58374368  0.59150786
   0.36069458  0.70590601  0.76151390
   0.11670632  0.84663654  0.50021336
   0.36017791  1.01103681  0.78324713
   0.46829142  0.91563377  0.63012697
   0.19489974  0.92642132  0.66425167
   0.28554991  0.67275325 -0.04499426
   0.03503813  0.65376015  0.92441806
   0.61665812  0.04479597  0.09441798
   0.84121737  0.18683331  0.23487814
   0.61155716  0.29277166  0.03131426
   0.85571735  0.44682676  0.38264756
   0.03153470  0.37498543  0.18444675
   0.78719412  0.40329285  0.14592443
   0.73703124  0.17853225  0.41184992
   0.48004602  0.12007655  0.44422680
   0.66836951  0.10812271  0.58729495
   0.83756787  0.20465463  0.78922677
   0.57430643  0.33682363  0.52250074
   0.87569131  0.44530794  0.86113754
   0.97308847  0.40427125  0.65543316
   0.70490201  0.40604268  0.69102842
   0.75985036  0.10486784  0.94901877
   0.50215251  0.09675321  0.92487544
   0.56420794  0.55008794  0.08068865
   0.87945963  0.68615155  0.28731946
   0.60754637  0.80651813  0.05720457
   0.88173800  0.96259097  0.33264890
   0.92131806  0.88301588  0.16196981
   0.67233620  0.84658224  0.23553114
   0.82962079  0.67046442  0.47123153
   0.56905799  0.58182875  0.38801566
   0.59985887  0.59707300  0.56411902
   0.83293237  0.69411595  0.79090952
   0.59659756  0.83129482  0.44957328
   0.90199637  0.94628189  0.83384685
   0.93846219  0.84451871  0.65164701
   0.70230105  0.90907051  0.72687604
   0.78226097  0.64105032  0.97600427
   0.53930210  0.67377160  0.89858413
   0.71204771  0.83700496  0.57671679
   0.49985824  0.82757962  0.43186641
   0.90889872  0.22143432  0.04929287
   0.92252007  0.38264416  0.37148215
   0.32704569  0.14416368  0.61505797
   0.40742841  0.78813647  0.72119552
   0.19496992  1.10640821  0.17021329
   0.25559149  1.06259403  0.00434605
   0.63628640  0.38503173  0.85526349
   0.90224118  0.42309547  0.60747343
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907327    0.061356   -0.109370
    -0.000000    9.736017    0.178917
    -0.000000    0.000000   13.964449
   Si   O    H 
    32    64    10
Direct configuration=  1826
   0.16356030  0.17301595 -0.03754312
   0.35766200  0.08750270  0.36817558
   0.16425352  0.41083206  0.11645844
   0.39888349  0.33489237  0.25399855
   0.09032786  0.18879427  0.48466976
   0.40235101  0.14708631  0.84251210
   0.12635292  0.41830089  0.62283548
   0.36771665  0.38925368  0.74551164
   0.14390206  0.68495278  0.00650762
   0.40885336  0.57773949  0.36819096
   0.08304674  0.90863858  0.14057020
   0.32510091  0.82929086  0.25369367
   0.17138210  0.68432982  0.49663771
   0.38255264  0.64862234  0.86590817
   0.06254317  0.92644180  0.59881525
   0.33328940  1.01261672  0.66258966
   0.62014012  0.13923358  1.00081668
   0.85969314  0.13316923  0.34889775
   0.62716463  0.39997596  0.11736063
   0.90077443  0.28329734  0.15140087
   0.61302536  0.18376527  0.48912263
   0.87765963  0.10531668  0.87277504
   0.58901626  0.44542062  0.61032117
   0.75983211  0.36237552  0.80097033
   0.61916144  0.66249468  0.00497689
   0.91928230  0.60798497  0.38678236
   0.58238222  0.90367192  0.14554721
   0.84226242  0.84361818  0.25875247
   0.65887904  0.67584904  0.47027444
   0.88474867  0.61090659  0.88627066
   0.63461943  0.94603571  0.62620110
   0.84957632  0.84695101  0.75082469
   0.09977421  0.08290073  0.14796068
   0.35523217  0.17597436  0.27279386
   0.14080263  0.31107402  0.02676027
   0.36471103  0.41858576  0.34815029
   0.54971148  0.34441086  0.21521709
   0.31131040  0.38824759  0.16347858
   0.21630637  0.10990508  0.42787899
  -0.02109367  0.21922184  0.39840130
   0.02626662  0.07677814  0.56115006
   0.45747755  0.25448009  0.76388493
   0.14778675  0.32284985  0.53168255
   0.36693842  0.47911003  0.84652747
   0.44396366  0.46434028  0.66215761
   0.21103228  0.36919937  0.71178739
   0.26851030  0.21737438 -0.11605369
   0.00687434  0.16742180  0.93507558
   0.14451922  0.58299000  0.09404155
   0.38351468  0.67988387  0.27508558
   0.13785011  0.85686054  0.04148122
   0.36213959  0.92714570  0.34518909
   0.41896802  0.88883793  0.16452044
   0.16978088  0.83362528  0.22858827
   0.31167573  0.65791321  0.44907670
   0.07512297  0.60852707  0.41689033
   0.18126966  0.58327071  0.58876892
   0.36050242  0.70558711  0.76026911
   0.11707666  0.84621534  0.50085635
   0.36014208  1.01110614  0.78428756
   0.46702723  0.91719413  0.63213081
   0.19445597  0.92710251  0.66440786
   0.28483586  0.67228284 -0.04437601
   0.03466963  0.65288411  0.92532501
   0.61478613  0.04603373  0.09422143
   0.84083850  0.18544627  0.23537974
   0.61091205  0.29451765  0.03040510
   0.85500425  0.44922124  0.38265944
   0.03061202  0.37514550  0.18529824
   0.78701756  0.40322209  0.14658806
   0.73532885  0.17953751  0.41191852
   0.48041613  0.11904791  0.44399105
   0.66849051  0.10757596  0.58833624
   0.83531290  0.20464535  0.78863679
   0.57349438  0.33639613  0.52176608
   0.87773911  0.44482312  0.86125449
   0.97397837  0.40376481  0.65475895
   0.70614120  0.40537613  0.69160776
   0.75988451  0.10492273  0.94825419
   0.50130129  0.09628673  0.92547456
   0.56434491  0.55080615  0.08097095
   0.87852572  0.68606965  0.28829065
   0.60814087  0.80718651  0.05747671
   0.88263594  0.96342266  0.33199498
   0.92270069  0.88179812  0.16180553
   0.67407404  0.84485633  0.23472523
   0.82922840  0.67108092  0.47240453
   0.56941811  0.58252441  0.38735389
   0.60023166  0.59557825  0.56454585
   0.83113128  0.69486794  0.79042078
   0.59647295  0.83186897  0.44996657
   0.90075148  0.94687265  0.83300914
   0.93818749  0.84461276  0.65180210
   0.70066024  0.90827084  0.72767614
   0.78252379  0.64128168  0.97524402
   0.53847773  0.67390141  0.89980537
   0.71486921  0.83329161  0.57609884
   0.50994919  0.82582676  0.43105704
   0.91516622  0.22495830  0.05520992
   0.92555881  0.36674790  0.36888093
   0.32465872  0.14240028  0.61824006
   0.41191775  0.78792157  0.72615362
   0.19096445  1.09938160  0.17356723
   0.25691571  1.06739512  0.00397023
   0.64158010  0.38966824  0.85051086
   0.90272831  0.42544424  0.60391775
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906240    0.060466   -0.109778
    -0.000000    9.736651    0.178358
    -0.000000    0.000000   13.962248
   Si   O    H 
    32    64    10
Direct configuration=  1827
   0.16438431  0.17314626 -0.03869562
   0.35706269  0.08680088  0.36803017
   0.16313616  0.40994947  0.11629290
   0.39778292  0.33564264  0.25307117
   0.08918908  0.18832187  0.48359939
   0.40203035  0.14731215  0.84275743
   0.12688391  0.41889678  0.62294386
   0.36740441  0.38936011  0.74489131
   0.14414774  0.68577004  0.00773136
   0.40907306  0.57880413  0.36838104
   0.08361411  0.90804229  0.13947570
   0.32649016  0.82891794  0.25404484
   0.16939814  0.68532855  0.49739366
   0.38291806  0.64950781  0.86544924
   0.06260971  0.92604632  0.59892443
   0.33520041  1.01360382  0.66195930
   0.61877972  0.14073869  0.99958026
   0.85959265  0.13414393  0.34899788
   0.62859882  0.39907988  0.11603215
   0.90046978  0.28498005  0.15009285
   0.61337947  0.18417962  0.48939232
   0.87867762  0.10592511  0.87254931
   0.59076872  0.44473379  0.61082476
   0.76049059  0.36192376  0.80150857
   0.61884044  0.66216053  0.00532043
   0.91767527  0.60842769  0.38650807
   0.58229881  0.90362170  0.14597219
   0.83986427  0.84306105  0.25890058
   0.65911444  0.67482878  0.47066068
   0.88512559  0.61014585  0.88680847
   0.63525826  0.94556587  0.62660662
   0.84958233  0.84735662  0.75085924
   0.10126536  0.08221323  0.14690169
   0.35644346  0.17731254  0.27442845
   0.14169177  0.30979251  0.02714452
   0.36614459  0.41863268  0.34791352
   0.54865358  0.34463731  0.21593939
   0.31194201  0.38862347  0.16356447
   0.21633039  0.11029569  0.42749913
  -0.02061552  0.22049864  0.39873417
   0.02841122  0.07470793  0.56117995
   0.45479469  0.25431071  0.76388682
   0.14783484  0.32417990  0.53135593
   0.36679533  0.47951482  0.84767071
   0.44303511  0.46312875  0.66184305
   0.20853798  0.36551872  0.71113523
   0.26848762  0.21691546 -0.11612052
   0.00564310  0.16780514  0.93544320
   0.14334256  0.58310111  0.09440614
   0.38280088  0.68126338  0.27583480
   0.13775738  0.85734249  0.04074676
   0.36245570  0.92620480  0.34497587
   0.41994588  0.88976675  0.16392904
   0.16920632  0.83334786  0.22944158
   0.31265108  0.65703638  0.44903457
   0.07495359  0.60764948  0.41679328
   0.18002743  0.58201604  0.58640267
   0.36018544  0.70620664  0.75868793
   0.11812738  0.84491035  0.50120523
   0.35982677  1.01130649  0.78540323
   0.46586878  0.91849232  0.63433157
   0.19461220  0.92744171  0.66419235
   0.28461102  0.67233814 -0.04411142
   0.03397907  0.65214520  0.92607014
   0.61262289  0.04676862  0.09440021
   0.84156498  0.18427134  0.23593024
   0.60959679  0.29646772  0.02901480
   0.85528697  0.45119270  0.38232259
   0.02982751  0.37561458  0.18588718
   0.78652061  0.40279290  0.14692113
   0.73435574  0.18034162  0.41236363
   0.48024767  0.11745270  0.44356953
   0.66826777  0.10675403  0.58936155
   0.83308659  0.20590044  0.78823411
   0.57317581  0.33597113  0.52075238
   0.87969206  0.44459679  0.86138730
   0.97457035  0.40380808  0.65387616
   0.70663786  0.40423626  0.69200330
   0.76030920  0.10425633  0.94787607
   0.50112534  0.09599529  0.92592799
   0.56442422  0.55060197  0.08122564
   0.87805947  0.68629039  0.28990537
   0.60920665  0.80754907  0.05685463
   0.88305062  0.96440777  0.33215217
   0.92452385  0.88053418  0.16131814
   0.67652705  0.84361615  0.23379945
   0.82821203  0.67172865  0.47350146
   0.56958882  0.58312576  0.38724455
   0.59969120  0.59467821  0.56450065
   0.82930918  0.69491491  0.79037115
   0.59740466  0.83264815  0.45059862
   0.90024187  0.94774520  0.83244568
   0.93840383  0.84417432  0.65192428
   0.69839073  0.90813461  0.72870711
   0.78238935  0.64139950  0.97434423
   0.53739875  0.67368031  0.90156046
   0.71500038  0.83242719  0.57706231
   0.49983400  0.82225309  0.42639491
   0.92024155  0.22745067  0.06282525
   0.92344619  0.36476192  0.36641715
   0.32173656  0.14337062  0.61951156
   0.41308167  0.77944909  0.73521420
   0.18448016  1.09406113  0.17590749
   0.25275835  1.07303812  0.00583308
   0.64133164  0.39090964  0.84972514
   0.90899730  0.42768138  0.60499014
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905034    0.059359   -0.110047
    -0.000000    9.737182    0.177809
    -0.000000    0.000000   13.959971
   Si   O    H 
    32    64    10
Direct configuration=  1828
   0.16524049  0.17339436 -0.03948818
   0.35651156  0.08589951  0.36871291
   0.16243659  0.40969416  0.11608321
   0.39679903  0.33586331  0.25212212
   0.08750678  0.18791091  0.48292308
   0.40164845  0.14718769  0.84276796
   0.12730148  0.42003969  0.62284824
   0.36687328  0.39006149  0.74466544
   0.14472820  0.68704182  0.00900553
   0.40972356  0.58002206  0.36894468
   0.08353518  0.90739462  0.13857540
   0.32837790  0.82903795  0.25457275
   0.16789851  0.68570294  0.49759481
   0.38316624  0.65024737  0.86501869
   0.06314657  0.92544832  0.59915044
   0.33660847  1.01403298  0.66161144
   0.61795311  0.14132087  0.99806217
   0.85936011  0.13423646  0.34845535
   0.63024189  0.39845122  0.11452197
   0.90031326  0.28635571  0.14944082
   0.61348266  0.18502240  0.48946092
   0.88030378  0.10640499  0.87229474
   0.59164493  0.44359453  0.61153246
   0.76118334  0.36117914  0.80190233
   0.61919495  0.66218363  0.00577933
   0.91622961  0.60829192  0.38620578
   0.58241031  0.90318395  0.14679654
   0.83779819  0.84245933  0.25918467
   0.65917093  0.67394424  0.47107325
   0.88557757  0.60926887  0.88727522
   0.63539554  0.94527263  0.62698251
   0.84878901  0.84745074  0.75120534
   0.10212922  0.08160802  0.14500555
   0.35698280  0.17837656  0.27550178
   0.14301219  0.30894698  0.02794801
   0.36803920  0.41905771  0.34850437
   0.54761378  0.34434575  0.21626996
   0.31174323  0.38859553  0.16340232
   0.21553490  0.11151870  0.42719957
  -0.02094048  0.22068361  0.39897708
   0.02992258  0.07374615  0.56136238
   0.45295286  0.25417674  0.76402652
   0.14801239  0.32583976  0.53082321
   0.36616464  0.47953829  0.84852248
   0.44184702  0.46153693  0.66179265
   0.20680135  0.36273218  0.71048725
   0.26807538  0.21662487 -0.11610569
   0.00368955  0.16907925  0.93505668
   0.14312494  0.58152562  0.09512042
   0.38235888  0.68141347  0.27607696
   0.13829188  0.85659688  0.03962503
   0.36272592  0.92568548  0.34520220
   0.41996526  0.89029394  0.16368473
   0.16886033  0.83370067  0.23030245
   0.31392988  0.65617489  0.44821628
   0.07461092  0.60666441  0.41684967
   0.17826941  0.58043820  0.58507439
   0.35961959  0.70650861  0.75758932
   0.11853570  0.84307033  0.50162403
   0.35892621  1.01153068  0.78645309
   0.46542278  0.92003855  0.63556970
   0.19601815  0.92770404  0.66425711
   0.28526715  0.67206209 -0.04456795
   0.03326274  0.65151799  0.92696074
   0.61027641  0.04714423  0.09459887
   0.84280136  0.18306519  0.23606810
   0.60805090  0.29838918  0.02809098
   0.85554200  0.45302662  0.38216967
   0.02997576  0.37651791  0.18642712
   0.78529178  0.40246160  0.14729463
   0.73189860  0.18031405  0.41278358
   0.47986285  0.11626718  0.44287539
   0.66777881  0.10554362  0.58979995
   0.83057159  0.20767845  0.78775522
   0.57361583  0.33627880  0.51972747
   0.88220844  0.44529080  0.86091614
   0.97495330  0.40363316  0.65327321
   0.70741941  0.40374228  0.69203726
   0.75982881  0.10317584  0.94833907
   0.50113892  0.09557005  0.92608732
   0.56392008  0.54970284  0.08173195
   0.87785630  0.68666818  0.29113747
   0.61027789  0.80811651  0.05625622
   0.88369467  0.96526286  0.33263664
   0.92604363  0.87985048  0.16014401
   0.67903456  0.84265185  0.23369513
   0.82739294  0.67230093  0.47479709
   0.57004348  0.58429087  0.38701993
   0.59982157  0.59469631  0.56428695
   0.82831334  0.69486972  0.79058167
   0.59867921  0.83280384  0.45102617
   0.89965083  0.94944892  0.83154059
   0.93892244  0.84383902  0.65161050
   0.69614325  0.90868909  0.72971435
   0.78162105  0.64099397  0.97410727
   0.53616481  0.67300245  0.90361411
   0.71294427  0.83515125  0.57727895
   0.49531143  0.81916019  0.42484798
   0.92605664  0.22469748  0.06436912
   0.91902201  0.37277904  0.36670682
   0.31629140  0.15049198  0.61952001
   0.41765972  0.77884549  0.74310624
   0.19338875  1.09343399  0.18191317
   0.24721887  1.07284076  0.00992046
   0.63520319  0.39069409  0.85213271
   0.91241821  0.42969775  0.60376671
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903642    0.057350   -0.109759
    -0.000000    9.738136    0.176888
    -0.000000    0.000000   13.957683
   Si   O    H 
    32    64    10
Direct configuration=  1829
   0.16509806  0.17374212 -0.03963331
   0.35547751  0.08503564  0.36970835
   0.16118690  0.40903443  0.11589170
   0.39602010  0.33613939  0.25161515
   0.08581337  0.18737964  0.48185352
   0.40127656  0.14709107  0.84229412
   0.12851978  0.42158589  0.62243480
   0.36640806  0.39063956  0.74458545
   0.14494617  0.68825026  0.00997018
   0.40965672  0.58089464  0.36971257
   0.08333226  0.90731606  0.13756028
   0.33022830  0.82866358  0.25522633
   0.16737158  0.68593374  0.49792989
   0.38345392  0.65083053  0.86485191
   0.06395947  0.92453971  0.59898349
   0.33783656  1.01401772  0.66148090
   0.61700333  0.14202659  0.99651915
   0.85896727  0.13418080  0.34731516
   0.63119024  0.39822198  0.11331741
   0.89979864  0.28742467  0.14939184
   0.61347280  0.18600871  0.48944787
   0.88148551  0.10684087  0.87197825
   0.59229186  0.44236110  0.61183264
   0.76184290  0.36074914  0.80214727
   0.62027252  0.66244258  0.00635057
   0.91514543  0.60782865  0.38602441
   0.58229539  0.90272024  0.14768103
   0.83642085  0.84222726  0.25917732
   0.65886136  0.67304746  0.47100697
   0.88590711  0.60823643  0.88780399
   0.63565344  0.94445980  0.62739119
   0.84799224  0.84794427  0.75091377
   0.10343098  0.08045140  0.14344263
   0.35700202  0.17866721  0.27607339
   0.14404023  0.30828431  0.02889804
   0.36995836  0.41978206  0.34940987
   0.54729313  0.34310140  0.21631503
   0.31100853  0.38933639  0.16292765
   0.21462518  0.11298262  0.42735551
  -0.02078667  0.22219420  0.39901390
   0.03179388  0.07357708  0.56136458
   0.45246464  0.25290965  0.76402384
   0.14922868  0.32666571  0.52988117
   0.36599077  0.47972545  0.84921127
   0.44074910  0.46096327  0.66157521
   0.20529152  0.35933199  0.71043434
   0.26763027  0.21713590 -0.11637560
   0.00135024  0.17030716  0.93473640
   0.14298203  0.57983872  0.09637272
   0.38231687  0.68118753  0.27683557
   0.13865962  0.85563078  0.03847697
   0.36310519  0.92530233  0.34582986
   0.42006135  0.88931178  0.16373339
   0.16806616  0.83457816  0.23042723
   0.31612914  0.65529885  0.44699535
   0.07373351  0.60648809  0.41666739
   0.17645104  0.57872811  0.58459476
   0.35852011  0.70670465  0.75683010
   0.11804275  0.84211898  0.50222650
   0.35786636  1.01185323  0.78727577
   0.46552300  0.92094104  0.63658121
   0.19704344  0.92807500  0.66387771
   0.28597526  0.67230483 -0.04507593
   0.03246742  0.65059876  0.92758119
   0.60783319  0.04818587  0.09452573
   0.84385490  0.18162546  0.23650458
   0.60625224  0.30107101  0.02732574
   0.85579726  0.45383697  0.38174871
   0.03079532  0.37719640  0.18677913
   0.78334442  0.40305339  0.14769315
   0.72990980  0.17997094  0.41313537
   0.47898300  0.11515864  0.44250451
   0.66815093  0.10343043  0.59013632
   0.82754144  0.20989880  0.78721566
   0.57413326  0.33690524  0.51900424
   0.88449009  0.44641378  0.85969086
   0.97529408  0.40369699  0.65324279
   0.70777966  0.40349835  0.69150130
   0.75963644  0.10207864  0.94931323
   0.50062633  0.09572755  0.92654130
   0.56334428  0.54814581  0.08238265
   0.87781017  0.68738767  0.29115558
   0.61114161  0.80907544  0.05563403
   0.88394338  0.96672581  0.33358407
   0.92677581  0.87899506  0.15980861
   0.68094440  0.84173893  0.23354511
   0.82655157  0.67288537  0.47615165
   0.57047683  0.58528975  0.38719100
   0.59999659  0.59543037  0.56404913
   0.82764006  0.69441306  0.79091993
   0.59884105  0.83154998  0.45118989
   0.89830367  0.95131018  0.83092401
   0.93934700  0.84274489  0.65164091
   0.69457669  0.90925945  0.73114088
   0.78055557  0.63993390  0.97461450
   0.53576420  0.67148670  0.90619047
   0.70828684  0.83725876  0.57596847
   0.50089175  0.81727716  0.42635138
   0.92996975  0.21774211  0.06164396
   0.91141481  0.38621768  0.36876799
   0.31320221  0.15692025  0.61931959
   0.42689653  0.78699130  0.74920103
   0.19540246  1.09519410  0.18187171
   0.24113397  1.06977032  0.01314632
   0.63047852  0.38993062  0.85793792
   0.91317844  0.43066411  0.59942053
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902491    0.055450   -0.109413
    -0.000000    9.739622    0.175431
    -0.000000    0.000000   13.955228
   Si   O    H 
    32    64    10
Direct configuration=  1830
   0.16419725  0.17424936 -0.03910211
   0.35387059  0.08409403  0.37134868
   0.15919202  0.40927121  0.11575861
   0.39505369  0.33634701  0.25121189
   0.08473209  0.18705095  0.48096913
   0.40084188  0.14673595  0.84165160
   0.13013972  0.42379164  0.62207829
   0.36516512  0.39136674  0.74510282
   0.14527071  0.68925748  0.01062812
   0.40889194  0.58092615  0.37031108
   0.08338312  0.90711293  0.13699640
   0.33139612  0.82933247  0.25573454
   0.16690576  0.68556910  0.49790493
   0.38365257  0.65165026  0.86437087
   0.06446508  0.92355778  0.59889473
   0.33907546  1.01429965  0.66156372
   0.61658030  0.14207145  0.99531484
   0.85854266  0.13406464  0.34623567
   0.63151634  0.39858883  0.11242050
   0.89839191  0.28839174  0.14928648
   0.61363140  0.18670909  0.48939660
   0.88225399  0.10791825  0.87153371
   0.59314852  0.44199789  0.61214646
   0.76241094  0.36057520  0.80294946
   0.62204402  0.66253888  0.00705850
   0.91434078  0.60700681  0.38653117
   0.58244635  0.90164284  0.14832274
   0.83541457  0.84208848  0.25923664
   0.65915131  0.67248018  0.47052189
   0.88666988  0.60749897  0.88809176
   0.63559822  0.94380088  0.62741048
   0.84723724  0.84924751  0.75029167
   0.10566627  0.07941857  0.14213066
   0.35720438  0.17948265  0.27591676
   0.14526041  0.30774898  0.02996419
   0.37170090  0.42142563  0.34988270
   0.54757859  0.34148850  0.21660186
   0.30907754  0.39082606  0.16229110
   0.21373105  0.11494897  0.42763864
  -0.02042099  0.22339254  0.39932432
   0.03334996  0.07465552  0.56160922
   0.45266994  0.25213343  0.76362736
   0.14887315  0.32788704  0.52876085
   0.36667725  0.47987886  0.84939052
   0.43987980  0.46105777  0.66103505
   0.20383998  0.35600113  0.71074816
   0.26771882  0.21796731 -0.11717041
   0.00010150  0.17022352  0.93460830
   0.14186925  0.57732733  0.09725803
   0.38210703  0.67992699  0.27705004
   0.13898880  0.85425501  0.03736097
   0.36269393  0.92514986  0.34687144
   0.42005860  0.88718634  0.16369340
   0.16697532  0.83513208  0.23037246
   0.31849448  0.65399959  0.44625581
   0.07150870  0.60698030  0.41664033
   0.17427160  0.57670658  0.58452612
   0.35743177  0.70733391  0.75619094
   0.11775173  0.84064169  0.50294540
   0.35651731  1.01167141  0.78796671
   0.46667624  0.92197982  0.63707586
   0.19775732  0.92861627  0.66377778
   0.28637815  0.67304550 -0.04605754
   0.03215355  0.64974463  0.92815864
   0.60675146  0.04859572  0.09460154
   0.84434292  0.18119795  0.23701619
   0.60493080  0.30290299  0.02641397
   0.85479417  0.45533938  0.38135825
   0.03229284  0.37762437  0.18713002
   0.78190893  0.40433723  0.14840680
   0.72847630  0.17945071  0.41362975
   0.47867312  0.11413567  0.44214035
   0.66820235  0.10191550  0.58972694
   0.82531637  0.21123276  0.78688419
   0.57425703  0.33899190  0.51862903
   0.88646391  0.44724391  0.85876458
   0.97562585  0.40341885  0.65350804
   0.70799641  0.40317496  0.69091967
   0.75886801  0.10100141  0.94974728
   0.49963545  0.09548833  0.92731268
   0.56242359  0.54614888  0.08266998
   0.87700493  0.68881650  0.29138169
   0.61239772  0.81003370  0.05563666
   0.88432251  0.96799227  0.33519924
   0.92758550  0.87797412  0.15924591
   0.68239197  0.84185203  0.23331405
   0.82517082  0.67346114  0.47720108
   0.57100499  0.58635567  0.38719074
   0.60011385  0.59522218  0.56431703
   0.82728324  0.69302371  0.79228253
   0.59869486  0.82956533  0.45207409
   0.89701026  0.95300033  0.83058239
   0.93951595  0.84164771  0.65174175
   0.69325591  0.90981073  0.73308700
   0.77927035  0.63899759  0.97525622
   0.53561185  0.67026066  0.90813580
   0.70162766  0.83901579  0.57462394
   0.51174201  0.82094942  0.42968615
   0.93280383  0.20941924  0.05926908
   0.91926577  0.38256278  0.36582367
   0.31199488  0.15832031  0.61885908
   0.42814583  0.78822642  0.75551880
   0.19081222  1.10010560  0.18082412
   0.23330698  1.06322083  0.01668362
   0.63059640  0.38778237  0.86112139
   0.91304651  0.42854808  0.59937525
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901290    0.052875   -0.108408
    -0.000000    9.741393    0.174109
    -0.000000    0.000000   13.952878
   Si   O    H 
    32    64    10
Direct configuration=  1831
   0.16290637  0.17435921 -0.03796407
   0.35301053  0.08378744  0.37313259
   0.15721238  0.40923853  0.11554368
   0.39383528  0.33684639  0.25095251
   0.08436495  0.18632082  0.48036574
   0.40109526  0.14630332  0.84140826
   0.13217477  0.42602321  0.62128066
   0.36312322  0.39229081  0.74601402
   0.14624867  0.69100149  0.01112896
   0.40830728  0.58092047  0.37099279
   0.08374145  0.90652917  0.13660052
   0.33230580  0.83036093  0.25585357
   0.16696200  0.68432943  0.49768355
   0.38374516  0.65234841  0.86385448
   0.06537027  0.92195779  0.59872461
   0.33995407  1.01499521  0.66201136
   0.61622040  0.14192048  0.99525135
   0.85821293  0.13303050  0.34532454
   0.63179584  0.39893387  0.11257081
   0.89708414  0.28857836  0.14937853
   0.61366142  0.18717542  0.48947126
   0.88267044  0.10839372  0.87100983
   0.59332879  0.44180136  0.61212740
   0.76246484  0.36010826  0.80341310
   0.62414260  0.66276802  0.00785180
   0.91318126  0.60610601  0.38729429
   0.58211693  0.90037778  0.14857568
   0.83481879  0.84238560  0.25917362
   0.65885360  0.67131065  0.46966563
   0.88697161  0.60686049  0.88827585
   0.63556259  0.94300923  0.62738820
   0.84623818  0.85073930  0.74976868
   0.10822213  0.07832482  0.14113217
   0.35665910  0.18025375  0.27559949
   0.14572366  0.30805868  0.03086938
   0.37383318  0.42332371  0.34992356
   0.54839576  0.34086436  0.21715825
   0.30688699  0.39211358  0.16114273
   0.21317581  0.11622290  0.42797656
  -0.02050784  0.22449130  0.39898941
   0.03450793  0.07619993  0.56145999
   0.45301436  0.25070469  0.76319174
   0.14852321  0.32819935  0.52820854
   0.36686964  0.48074649  0.84899022
   0.43992865  0.46151198  0.65960068
   0.20298956  0.35259781  0.71152802
   0.26767789  0.21917995 -0.11802545
  -0.00119738  0.16967875  0.93439700
   0.14025212  0.57414853  0.09841147
   0.38213431  0.67835574  0.27715042
   0.13970072  0.85245698  0.03633532
   0.36214973  0.92525281  0.34815581
   0.41993345  0.88489289  0.16343358
   0.16638246  0.83502598  0.22998444
   0.32115771  0.65197791  0.44615277
   0.06977650  0.60751950  0.41675331
   0.17229448  0.57626995  0.58523626
   0.35730879  0.70911291  0.75584019
   0.11593923  0.83920954  0.50375875
   0.35550241  1.01114102  0.78790403
   0.46818891  0.92306650  0.63742683
   0.19863781  0.92964116  0.66323445
   0.28635270  0.67396134 -0.04705483
   0.03099781  0.64905186  0.92897254
   0.60569293  0.04935229  0.09470907
   0.84453237  0.18163794  0.23768813
   0.60337744  0.30353575  0.02564277
   0.85415385  0.45736825  0.38110632
   0.03328897  0.37856233  0.18705859
   0.78090695  0.40572943  0.14893430
   0.72823296  0.17874630  0.41346796
   0.47834168  0.11391533  0.44201379
   0.66811181  0.10058935  0.58939229
   0.82468834  0.21260820  0.78708594
   0.57530667  0.34106682  0.51870611
   0.88799969  0.44841262  0.85725023
   0.97500923  0.40360519  0.65427669
   0.70866408  0.40304520  0.69080375
   0.75837080  0.09985193  0.95003835
   0.49784046  0.09593089  0.92772969
   0.56169739  0.54500708  0.08281443
   0.87539741  0.69072630  0.29150087
   0.61414931  0.81004427  0.05568484
   0.88420676  0.96809150  0.33666495
   0.92769332  0.87726270  0.15878784
   0.68271685  0.84223262  0.23263116
   0.82432294  0.67479260  0.47853635
   0.57235285  0.58783963  0.38742283
   0.59981781  0.59596303  0.56480263
   0.82732254  0.69139429  0.79365825
   0.60045790  0.82790307  0.45227147
   0.89644952  0.95534153  0.82960084
   0.93997561  0.84018291  0.65244585
   0.69325526  0.91030949  0.73510177
   0.77715633  0.63805402  0.97575715
   0.53562028  0.66879322  0.91004401
   0.69647765  0.83726968  0.57306632
   0.50963033  0.82142717  0.42863646
   0.93199375  0.20211687  0.05937687
   0.92673714  0.37670316  0.36594313
   0.31408267  0.15642986  0.61797635
   0.42027105  0.78502659  0.75726557
   0.18120545  1.10656952  0.17658307
   0.22731126  1.05827085  0.01740983
   0.63411094  0.38306032  0.86417120
   0.91547803  0.42335023  0.60311373
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900615    0.050192   -0.107700
    -0.000000    9.743341    0.172438
    -0.000000    0.000000   13.950833
   Si   O    H 
    32    64    10
Direct configuration=  1832
   0.16180310  0.17435130 -0.03711997
   0.35259696  0.08367424  0.37495210
   0.15534742  0.40974042  0.11562035
   0.39313713  0.33733954  0.25102826
   0.08518133  0.18567759  0.47989133
   0.40074376  0.14600900  0.84143329
   0.13315059  0.42809407  0.62047702
   0.36052181  0.39335246  0.74732512
   0.14753381  0.69220154  0.01123729
   0.40821000  0.58115601  0.37188585
   0.08415838  0.90596932  0.13644997
   0.33254239  0.83094711  0.25601071
   0.16733284  0.68253172  0.49724281
   0.38397342  0.65309194  0.86388478
   0.06544843  0.92059467  0.59843051
   0.33989915  1.01609821  0.66310817
   0.61670508  0.14131075  0.99562629
   0.85732661  0.13191071  0.34486868
   0.63129173  0.39921808  0.11313632
   0.89670576  0.28863998  0.15030420
   0.61360456  0.18695802  0.48963826
   0.88259988  0.10920222  0.87077885
   0.59364250  0.44211997  0.61165033
   0.76239919  0.36071327  0.80406291
   0.62562709  0.66264207  0.00884818
   0.91214952  0.60466269  0.38799214
   0.58132036  0.89877426  0.14860582
   0.83550541  0.84283234  0.25920475
   0.65928810  0.66972880  0.46864898
   0.88721523  0.60598227  0.88892399
   0.63525622  0.94189760  0.62727464
   0.84532955  0.85186782  0.74877665
   0.11045544  0.07662820  0.13994992
   0.35642179  0.18024996  0.27521425
   0.14621508  0.30815382  0.03075030
   0.37516093  0.42561391  0.34987853
   0.54874229  0.33972501  0.21715327
   0.30467648  0.39296467  0.16016088
   0.21294345  0.11716185  0.42840137
  -0.02053387  0.22526193  0.39836575
   0.03486283  0.07754156  0.56087791
   0.45302591  0.24973191  0.76283299
   0.14814124  0.32843469  0.52733327
   0.36777320  0.48125199  0.84824048
   0.43973800  0.46306429  0.65812228
   0.20266958  0.35118110  0.71209986
   0.26761545  0.22087302 -0.11816832
  -0.00164365  0.16933759  0.93422176
   0.13887637  0.57157787  0.09918071
   0.38215092  0.67693403  0.27660737
   0.13989368  0.85118892  0.03569159
   0.36213726  0.92637628  0.34924142
   0.42013364  0.88316441  0.16270904
   0.16609560  0.83479219  0.23001653
   0.32232589  0.65090369  0.44711984
   0.06840487  0.60787087  0.41707068
   0.17127941  0.57660965  0.58580234
   0.35729667  0.71122485  0.75521050
   0.11427163  0.83791882  0.50375860
   0.35540978  1.01054088  0.78722275
   0.47022992  0.92373785  0.63826655
   0.19983856  0.93010298  0.66319663
   0.28575746  0.67527304 -0.04821216
   0.02956773  0.64911610  0.93009071
   0.60494884  0.04981498  0.09507047
   0.84564441  0.18231872  0.23822473
   0.60122691  0.30318205  0.02473223
   0.85441712  0.45823522  0.38078863
   0.03420013  0.37883494  0.18674525
   0.78038169  0.40700353  0.14945406
   0.72739422  0.17765782  0.41313757
   0.47879234  0.11319580  0.44184157
   0.66765458  0.09911086  0.58934249
   0.82501772  0.21342779  0.78757348
   0.57540628  0.34292262  0.51885713
   0.88944633  0.44848643  0.85575749
   0.97489210  0.40528639  0.65450613
   0.70960651  0.40314921  0.69080685
   0.75795859  0.09899482  0.95070109
   0.49526376  0.09571631  0.92770962
   0.56188668  0.54410069  0.08268564
   0.87400755  0.69234386  0.29135810
   0.61539330  0.80998902  0.05448876
   0.88431262  0.96790151  0.33748507
   0.92793528  0.87630768  0.15860824
   0.68217542  0.84385146  0.23241998
   0.82427054  0.67632631  0.47967718
   0.57346623  0.58900306  0.38770791
   0.59965063  0.59723890  0.56537194
   0.82737572  0.69029101  0.79500484
   0.60264955  0.82738267  0.45277473
   0.89535505  0.95749382  0.82871473
   0.94048797  0.83925051  0.65306264
   0.69230651  0.91113694  0.73688128
   0.77596632  0.63718299  0.97647648
   0.53483905  0.66743371  0.91188214
   0.69447975  0.83588708  0.57305678
   0.50225497  0.82573781  0.42597432
   0.92695318  0.20126559  0.06500326
   0.92473626  0.37792650  0.36657455
   0.31979232  0.15253271  0.61678961
   0.41514971  0.78704609  0.75610405
   0.18179145  1.11847388  0.17639638
   0.21917243  1.05490617  0.01472547
   0.63827973  0.37789249  0.86463493
   0.91363598  0.42034598  0.60377357
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900072    0.048193   -0.106401
    -0.000000    9.745195    0.170834
    -0.000000    0.000000   13.948453
   Si   O    H 
    32    64    10
Direct configuration=  1833
   0.16045854  0.17452235 -0.03629832
   0.35163367  0.08430857  0.37637103
   0.15289612  0.40991898  0.11624037
   0.39296312  0.33779684  0.25091073
   0.08656309  0.18543066  0.48018321
   0.39986693  0.14504177  0.84169078
   0.13383329  0.42968654  0.61967292
   0.35823462  0.39424316  0.74842127
   0.14947199  0.69293546  0.01099434
   0.40843219  0.58127929  0.37210663
   0.08448493  0.90623089  0.13682863
   0.33288061  0.83143785  0.25584157
   0.16804459  0.68045267  0.49627158
   0.38381248  0.65315340  0.86437319
   0.06538588  0.91957461  0.59817252
   0.33974466  1.01628172  0.66456766
   0.61678717  0.14036820  0.99598714
   0.85617981  0.13112058  0.34499044
   0.63014487  0.39934399  0.11413627
   0.89717805  0.28867819  0.15136732
   0.61342484  0.18601374  0.48961107
   0.88230347  0.11017064  0.87067147
   0.59354384  0.44275788  0.61130692
   0.76223516  0.36202462  0.80479255
   0.62697919  0.66246893  0.00973339
   0.91190766  0.60270395  0.38907307
   0.58117617  0.89785239  0.14797342
   0.83687715  0.84375110  0.25940533
   0.65970332  0.66860397  0.46772469
   0.88721078  0.60518879  0.88974571
   0.63593206  0.94053303  0.62698980
   0.84422193  0.85291196  0.74798028
   0.11229866  0.07397195  0.13900761
   0.35627253  0.18033336  0.27538684
   0.14645176  0.30815962  0.03057855
   0.37621171  0.42766129  0.34952701
   0.54998507  0.33895362  0.21616302
   0.30301049  0.39330552  0.15941132
   0.21262254  0.11774694  0.42864601
  -0.02103502  0.22643905  0.39830695
   0.03530650  0.07786769  0.56089840
   0.45217377  0.24909321  0.76192637
   0.14713542  0.32869969  0.52626510
   0.36916417  0.48211369  0.84733676
   0.44030170  0.46448104  0.65731264
   0.20357442  0.35040945  0.71263730
   0.26766886  0.22250023 -0.11797512
  -0.00128512  0.16825358  0.93430722
   0.13855172  0.56985956  0.09972473
   0.38207415  0.67627023  0.27612875
   0.14024013  0.85029528  0.03575066
   0.36184235  0.92652871  0.35014252
   0.42028661  0.88222066  0.16184283
   0.16625704  0.83509798  0.23017045
   0.32216536  0.65111656  0.44898707
   0.06727042  0.60882056  0.41740564
   0.17014278  0.57764503  0.58625662
   0.35699647  0.71322831  0.75456175
   0.11273937  0.83649981  0.50311447
   0.35557234  1.00982577  0.78651684
   0.47172463  0.92468065  0.63884138
   0.20029591  0.93023782  0.66297477
   0.28517248  0.67691476 -0.04908729
   0.02860980  0.64903613  0.93128641
   0.60434453  0.05101900  0.09587430
   0.84723526  0.18296182  0.23762003
   0.59892380  0.30284417  0.02364016
   0.85501725  0.45716190  0.38037333
   0.03459957  0.37904393  0.18726247
   0.77986877  0.40790636  0.14978959
   0.72647448  0.17676836  0.41305984
   0.47969588  0.11160603  0.44180688
   0.66658420  0.09809484  0.59002053
   0.82570374  0.21401461  0.78813528
   0.57618838  0.34471313  0.51881255
   0.88958961  0.44805635  0.85413953
   0.97540665  0.40765501  0.65474696
   0.71010711  0.40310287  0.69093207
   0.75815914  0.09855576  0.95095019
   0.49291988  0.09543903  0.92775688
   0.56232808  0.54364181  0.08228103
   0.87327899  0.69368555  0.29180990
   0.61698619  0.81020533  0.05372821
   0.88483474  0.96743987  0.33766321
   0.92750494  0.87569124  0.15853238
   0.68064183  0.84503945  0.23284283
   0.82448315  0.67707424  0.48032414
   0.57445415  0.58958016  0.38795202
   0.59993907  0.59899873  0.56516939
   0.82702708  0.69060623  0.79552580
   0.60422408  0.82717071  0.45303098
   0.89517355  0.95914454  0.82843691
   0.94134981  0.83790073  0.65361883
   0.69065438  0.91289835  0.73868212
   0.77549730  0.63590081  0.97711227
   0.53404504  0.66584999  0.91330654
   0.69671642  0.83601322  0.57402297
   0.50483563  0.83334927  0.42612898
   0.92256817  0.20392958  0.07052626
   0.91993272  0.38751699  0.36877852
   0.32680287  0.14938851  0.61757603
   0.41503209  0.79968828  0.75268568
   0.18138710  1.13101268  0.17559426
   0.21410301  1.05474440  0.01227193
   0.64285388  0.37305882  0.86327088
   0.90800837  0.41990723  0.60040242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899223    0.046187   -0.105133
    -0.000000    9.746852    0.169093
    -0.000000    0.000000   13.946009
   Si   O    H 
    32    64    10
Direct configuration=  1834
   0.15962510  0.17497660 -0.03589007
   0.35062440  0.08536959  0.37770833
   0.15101396  0.40950858  0.11653106
   0.39350041  0.33795469  0.25058534
   0.08793851  0.18512046  0.48039822
   0.39863988  0.14428629  0.84168730
   0.13409460  0.43083694  0.61910052
   0.35665535  0.39495663  0.74982901
   0.15090565  0.69246245  0.01046716
   0.40926468  0.58095550  0.37218669
   0.08443326  0.90655664  0.13735945
   0.33308769  0.83178574  0.25557086
   0.16917158  0.67855560  0.49521526
   0.38351635  0.65300972  0.86467790
   0.06510111  0.91904801  0.59820236
   0.33996673  1.01631515  0.66561042
   0.61667495  0.13972668  0.99668314
   0.85581600  0.13006714  0.34494079
   0.62884135  0.39912413  0.11519949
   0.89826961  0.28917333  0.15240113
   0.61258423  0.18490007  0.48973235
   0.88237357  0.11098486  0.87101563
   0.59306679  0.44335522  0.61092424
   0.76206634  0.36407646  0.80518125
   0.62785285  0.66238912  0.01024737
   0.91220331  0.60123661  0.38990179
   0.58099604  0.89724962  0.14681656
   0.83897513  0.84445426  0.25991218
   0.65980440  0.66737691  0.46688261
   0.88686677  0.60505805  0.89091432
   0.63640935  0.93907924  0.62628037
   0.84320809  0.85369522  0.74700932
   0.11399461  0.07165037  0.13797924
   0.35572670  0.17976173  0.27554089
   0.14714998  0.30815138  0.03055613
   0.37700950  0.42935353  0.34862994
   0.54999194  0.33795848  0.21483837
   0.30124839  0.39332188  0.15949681
   0.21292666  0.11769307  0.42927048
  -0.02172950  0.22777304  0.39802201
   0.03526301  0.07836958  0.56090381
   0.45214580  0.24935508  0.76099062
   0.14562615  0.32863890  0.52558002
   0.37045607  0.48303169  0.84629314
   0.44112020  0.46596481  0.65715492
   0.20492661  0.35023930  0.71361113
   0.26760732  0.22423938 -0.11775086
  -0.00128183  0.16749400  0.93463058
   0.13902449  0.56970629  0.09979304
   0.38259430  0.67629972  0.27580278
   0.14085807  0.85011406  0.03563400
   0.36143564  0.92609310  0.35067138
   0.42096632  0.88112679  0.16116147
   0.16671009  0.83528112  0.22996646
   0.32194670  0.65139807  0.45190728
   0.06666913  0.60974708  0.41767499
   0.16905175  0.57858512  0.58671515
   0.35717508  0.71586223  0.75428666
   0.11106768  0.83439168  0.50275106
   0.35554950  1.00921503  0.78551494
   0.47257487  0.92579224  0.63952742
   0.19946369  0.93044008  0.66250575
   0.28437891  0.67769732 -0.05014908
   0.02744035  0.64894341  0.93202408
   0.60396410  0.05161188  0.09707730
   0.84874460  0.18354263  0.23660217
   0.59676316  0.30198748  0.02297419
   0.85524672  0.45549096  0.38003666
   0.03327221  0.37903659  0.18818133
   0.78037597  0.40911865  0.15049084
   0.72625168  0.17571657  0.41240393
   0.48010874  0.11004941  0.44169585
   0.66429819  0.09658828  0.58990446
   0.82692841  0.21449620  0.78819495
   0.57732336  0.34558194  0.51853096
   0.88898812  0.44733714  0.85297213
   0.97536615  0.41008782  0.65447746
   0.70963727  0.40311383  0.69069031
   0.75853444  0.09778257  0.95116846
   0.49117146  0.09520947  0.92775480
   0.56379639  0.54380301  0.08198306
   0.87278256  0.69389438  0.29237975
   0.61843326  0.81059929  0.05380171
   0.88620295  0.96804748  0.33757944
   0.92664812  0.87453310  0.15858709
   0.67816711  0.84556186  0.23347470
   0.82519910  0.67699935  0.48025928
   0.57539410  0.59000139  0.38877711
   0.60036421  0.60061661  0.56521055
   0.82758854  0.69189504  0.79586026
   0.60410519  0.82734565  0.45280702
   0.89518898  0.95993622  0.82759319
   0.94185796  0.83653293  0.65422935
   0.68881741  0.91413084  0.73990970
   0.77655369  0.63400595  0.97740047
   0.53340344  0.66514745  0.91410534
   0.70098097  0.83511165  0.57718150
   0.51366769  0.84011387  0.42876681
   0.91742936  0.20474854  0.07438094
   0.92120733  0.38956748  0.37115961
   0.33262079  0.14681193  0.61868214
   0.41256798  0.80706402  0.74867320
   0.17727196  1.13758302  0.17235945
   0.21025406  1.05654501  0.00873178
   0.64374034  0.36695659  0.86315527
   0.90952260  0.41589349  0.60061696
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898694    0.044222   -0.103801
    -0.000000    9.748405    0.167065
    -0.000000    0.000000   13.943476
   Si   O    H 
    32    64    10
Direct configuration=  1835
   0.15880437  0.17609339 -0.03565068
   0.35010629  0.08591108  0.37899200
   0.14949955  0.40885811  0.11712340
   0.39406441  0.33846579  0.25043548
   0.08955221  0.18530447  0.48031303
   0.39755658  0.14288371  0.84140031
   0.13405713  0.43091494  0.61873884
   0.35570361  0.39557489  0.75132983
   0.15193461  0.69163723  0.00975194
   0.41018063  0.58091181  0.37207285
   0.08418199  0.90682965  0.13757612
   0.33243026  0.83180839  0.25504750
   0.16931083  0.67736030  0.49372143
   0.38301499  0.65236806  0.86426467
   0.06491762  0.91786905  0.59809214
   0.34011395  1.01597397  0.66662638
   0.61666637  0.13944975  0.99776615
   0.85548329  0.12957837  0.34534791
   0.62786537  0.39796506  0.11630051
   0.89957744  0.28978643  0.15399458
   0.61190167  0.18300782  0.49024956
   0.88199711  0.11236080  0.87150614
   0.59244032  0.44412198  0.61061248
   0.76162727  0.36558757  0.80554667
   0.62804478  0.66213826  0.01061331
   0.91213926  0.60022593  0.39072894
   0.58081267  0.89754350  0.14572375
   0.84049539  0.84514852  0.26088145
   0.65993598  0.66736454  0.46600537
   0.88650643  0.60552518  0.89220326
   0.63685879  0.93785963  0.62570812
   0.84187380  0.85406522  0.74648775
   0.11515995  0.06970565  0.13747571
   0.35503365  0.17820870  0.27508816
   0.14829322  0.30793897  0.03031255
   0.37738682  0.43004346  0.34746685
   0.54989391  0.33698261  0.21352701
   0.29988642  0.39328260  0.15991022
   0.21303648  0.11709731  0.42981073
  -0.02221757  0.22865412  0.39724196
   0.03440044  0.07894299  0.56102947
   0.45251746  0.24959325  0.75975420
   0.14492715  0.32872037  0.52476558
   0.37171869  0.48426630  0.84537015
   0.44162552  0.46704347  0.65835598
   0.20625547  0.35109291  0.71387284
   0.26744063  0.22632595 -0.11727120
  -0.00124326  0.16667231  0.93470965
   0.13886333  0.57034026  0.09902344
   0.38278645  0.67568488  0.27544479
   0.14155116  0.85024187  0.03573312
   0.36105155  0.92544198  0.35076243
   0.42125591  0.87998528  0.16081467
   0.16654020  0.83629071  0.22944052
   0.32189733  0.65211765  0.45527046
   0.06635537  0.61134454  0.41723325
   0.16845603  0.57977799  0.58803882
   0.35761141  0.71953350  0.75457484
   0.10982463  0.83191797  0.50251480
   0.35439142  1.00884766  0.78487085
   0.47353192  0.92591170  0.63997202
   0.19867764  0.93055725  0.66221303
   0.28291195  0.67794308 -0.05073332
   0.02600633  0.64871192  0.93324395
   0.60338062  0.05241616  0.09822774
   0.85070863  0.18452760  0.23477267
   0.59456411  0.30150232  0.02248045
   0.85452963  0.45385772  0.37937781
   0.03202828  0.37908731  0.18915808
   0.78059855  0.41017929  0.15151984
   0.72731243  0.17522181  0.41142634
   0.48011449  0.10838194  0.44160652
   0.66196663  0.09594695  0.58958791
   0.82781812  0.21456236  0.78842042
   0.57834569  0.34531677  0.51817662
   0.88830414  0.44616502  0.85271975
   0.97491983  0.41245240  0.65438222
   0.70885676  0.40292671  0.69046403
   0.75814886  0.09685445  0.95086970
   0.48972921  0.09579258  0.92767034
   0.56528201  0.54521979  0.08187232
   0.87250229  0.69357823  0.29361624
   0.61985069  0.81064337  0.05370178
   0.88802976  0.96799778  0.33751351
   0.92634441  0.87291314  0.15909540
   0.67616441  0.84665868  0.23430128
   0.82672550  0.67595812  0.47968960
   0.57635119  0.58964670  0.38939514
   0.60078282  0.60188493  0.56536512
   0.82857930  0.69441975  0.79596233
   0.60432573  0.82761757  0.45270841
   0.89619387  0.96102331  0.82671819
   0.94168746  0.83586758  0.65425371
   0.68745091  0.91473090  0.74021526
   0.77757737  0.63215450  0.97717269
   0.53289974  0.66454053  0.91466598
   0.71140152  0.82994365  0.57885353
   0.51986314  0.84694287  0.43035590
   0.91335909  0.20189512  0.07494508
   0.93218668  0.38029956  0.37135068
   0.34043148  0.15183124  0.61609953
   0.40433586  0.80455900  0.74806948
   0.16919950  1.13897981  0.16507170
   0.21382160  1.05314593  0.00517750
   0.64054340  0.35951746  0.86321732
   0.91366685  0.40985354  0.60136075
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898066    0.042213   -0.102867
    -0.000000    9.750187    0.165839
    -0.000000    0.000000   13.941151
   Si   O    H 
    32    64    10
Direct configuration=  1836
   0.15821557  0.17701965 -0.03581267
   0.34974517  0.08615243  0.38000419
   0.14795804  0.40821372  0.11816021
   0.39380040  0.33941421  0.25010042
   0.09136121  0.18488281  0.48034730
   0.39630364  0.14168966  0.84150153
   0.13308207  0.43064758  0.61846592
   0.35557181  0.39514502  0.75224706
   0.15237845  0.69003538  0.00971146
   0.41120617  0.58170227  0.37201317
   0.08398336  0.90671070  0.13786738
   0.33183620  0.83183691  0.25464710
   0.16961345  0.67595501  0.49182650
   0.38309169  0.65185118  0.86388383
   0.06443545  0.91753847  0.59807649
   0.34060647  1.01528464  0.66822786
   0.61646231  0.13889740  0.99872490
   0.85519781  0.12911253  0.34491925
   0.62673272  0.39708542  0.11731142
   0.90034398  0.29069359  0.15552508
   0.61060057  0.18134136  0.49117499
   0.88123863  0.11335457  0.87170088
   0.59166693  0.44498644  0.61025670
   0.76135671  0.36676017  0.80579459
   0.62772303  0.66287408  0.01071261
   0.91134266  0.59990375  0.39166662
   0.58047560  0.89761404  0.14461989
   0.84215143  0.84666276  0.26143083
   0.65985975  0.66801984  0.46540911
   0.88623876  0.60563328  0.89351829
   0.63720025  0.93654654  0.62520841
   0.83996450  0.85405517  0.74639897
   0.11635118  0.06731603  0.13700290
   0.35399501  0.17659981  0.27548826
   0.14881440  0.30733573  0.02989791
   0.37816336  0.43030299  0.34626448
   0.54944330  0.33658366  0.21146370
   0.29819268  0.39363818  0.16073744
   0.21351725  0.11653073  0.43044311
  -0.02272078  0.22907871  0.39618749
   0.03241434  0.07896447  0.56146607
   0.45247077  0.25033461  0.75912104
   0.14473537  0.32787706  0.52430397
   0.37330450  0.48560601  0.84448708
   0.44278795  0.46835568  0.65975480
   0.20769915  0.35296799  0.71488948
   0.26628269  0.22754118 -0.11697755
  -0.00000958  0.16589791  0.93528255
   0.13870122  0.57147594  0.09809504
   0.38376442  0.67603947  0.27507340
   0.14164654  0.85091350  0.03613126
   0.36068512  0.92473858  0.35024924
   0.42075740  0.87928645  0.16087258
   0.16624264  0.83703364  0.22892044
   0.32076354  0.65285163  0.45834308
   0.06655086  0.61254936  0.41630933
   0.16822051  0.58157474  0.58941464
   0.35723410  0.72250597  0.75582559
   0.10880226  0.83004192  0.50205290
   0.35398985  1.00786140  0.78460366
   0.47457111  0.92606297  0.63985647
   0.19823386  0.93004032  0.66207812
   0.28130484  0.67868583 -0.05093296
   0.02511674  0.64838813  0.93506432
   0.60302034  0.05340769  0.09909185
   0.85217599  0.18532176  0.23411710
   0.59268075  0.30070492  0.02228844
   0.85341818  0.45158699  0.37880397
   0.03050271  0.37898217  0.19023077
   0.78094497  0.41066002  0.15239285
   0.72773607  0.17464934  0.41047126
   0.48061294  0.10737142  0.44189731
   0.65920156  0.09604314  0.58869610
   0.82863391  0.21571653  0.78832532
   0.57862274  0.34504441  0.51796733
   0.88812220  0.44537540  0.85309875
   0.97441461  0.41425819  0.65448263
   0.70776995  0.40279025  0.69063222
   0.75812860  0.09629642  0.95034325
   0.48850634  0.09686265  0.92731068
   0.56705750  0.54723249  0.08204690
   0.87213248  0.69327889  0.29473975
   0.62177440  0.81095321  0.05288761
   0.88972096  0.96830699  0.33760864
   0.92612198  0.87139695  0.15905769
   0.67510241  0.84785904  0.23439000
   0.82728457  0.67463975  0.47895326
   0.57710871  0.58810778  0.38965776
   0.60196557  0.60370474  0.56549717
   0.82833830  0.69692176  0.79572291
   0.60573654  0.82745196  0.45306646
   0.89776884  0.96182946  0.82625211
   0.94072233  0.83544293  0.65393768
   0.68642508  0.91555770  0.74032333
   0.77929876  0.63039501  0.97677453
   0.53260513  0.66385795  0.91477523
   0.72167201  0.82552845  0.58232306
   0.51018974  0.85296382  0.42753122
   0.90656285  0.20093881  0.07632934
   0.93510209  0.37624079  0.37097045
   0.34727599  0.15482494  0.61492388
   0.40064675  0.80835847  0.74694660
   0.16759544  1.13960836  0.16141567
   0.21983385  1.04649087  0.00179559
   0.63766192  0.35318021  0.86343678
   0.91256526  0.40782132  0.59905787
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897298    0.040429   -0.101782
    -0.000000    9.752293    0.164893
    -0.000000    0.000000   13.938849
   Si   O    H 
    32    64    10
Direct configuration=  1837
   0.15720610  0.17730317 -0.03594734
   0.34954460  0.08652117  0.38057983
   0.14727299  0.40861759  0.11847469
   0.39408424  0.34068519  0.24963976
   0.09269937  0.18470045  0.48055883
   0.39502293  0.14106145  0.84172413
   0.13188787  0.43012424  0.61798540
   0.35556924  0.39509927  0.75287421
   0.15162644  0.68803739  0.01003434
   0.41245070  0.58267386  0.37183049
   0.08382471  0.90587428  0.13814079
   0.33133450  0.83118400  0.25424111
   0.17009908  0.67451621  0.49007454
   0.38320787  0.65130913  0.86338267
   0.06424929  0.91731861  0.59817876
   0.34131498  1.01507527  0.66932817
   0.61644198  0.13816539  0.99935787
   0.85451493  0.12944206  0.34497345
   0.62491229  0.39586680  0.11814863
   0.90048554  0.29211424  0.15723473
   0.60903531  0.18008976  0.49187680
   0.88023434  0.11338892  0.87172688
   0.59072509  0.44603165  0.60971309
   0.76069866  0.36770945  0.80590160
   0.62705623  0.66337786  0.01108210
   0.91008028  0.60004946  0.39272760
   0.58052551  0.89846312  0.14320505
   0.84353630  0.84813647  0.26151952
   0.66015027  0.66897457  0.46515554
   0.88588264  0.60607022  0.89425763
   0.63717511  0.93459129  0.62509281
   0.83797961  0.85357352  0.74665626
   0.11683211  0.06527628  0.13657779
   0.35234113  0.17527030  0.27635835
   0.15024657  0.30722106  0.02942674
   0.37830507  0.43102419  0.34501278
   0.54904294  0.33479227  0.20966322
   0.29757275  0.39362486  0.16177062
   0.21484032  0.11499902  0.43090258
  -0.02300245  0.22864520  0.39490717
   0.03116208  0.07803889  0.56189311
   0.45217305  0.25117929  0.75849906
   0.14395553  0.32736242  0.52385773
   0.37471158  0.48718768  0.84405751
   0.44410996  0.46880888  0.66125394
   0.20802000  0.35525251  0.71532040
   0.26429564  0.22882303 -0.11672929
   0.00130827  0.16608249  0.93617880
   0.13844171  0.57331939  0.09730550
   0.38495488  0.67632141  0.27449503
   0.14104630  0.85102993  0.03675878
   0.36040244  0.92399279  0.34938807
   0.42030069  0.87889287  0.16170752
   0.16664051  0.83733533  0.22815287
   0.32053400  0.65331800  0.46097896
   0.06670185  0.61384841  0.41539031
   0.16898564  0.58375883  0.59111551
   0.35631310  0.72506348  0.75807346
   0.10691124  0.82962185  0.50176288
   0.35366582  1.00727735  0.78411565
   0.47499053  0.92621304  0.63942875
   0.19750886  0.92991740  0.66241673
   0.28046674  0.67879261 -0.05123532
   0.02495098  0.64892019  0.93626040
   0.60250058  0.05397226  0.10013180
   0.85317124  0.18632881  0.23414751
   0.59079236  0.29920397  0.02290463
   0.85287622  0.44896153  0.37805843
   0.02823531  0.37835561  0.19163515
   0.78213614  0.41090646  0.15314589
   0.72814438  0.17351988  0.40915337
   0.48125207  0.10611088  0.44232950
   0.65653537  0.09644678  0.58785651
   0.82972834  0.21654426  0.78795758
   0.57932457  0.34499522  0.51714578
   0.88850055  0.44462450  0.85365398
   0.97450061  0.41617078  0.65462533
   0.70653458  0.40339457  0.69025600
   0.75789484  0.09550816  0.95058435
   0.48719936  0.09753236  0.92778429
   0.56907652  0.54975439  0.08179723
   0.87177973  0.69387155  0.29591873
   0.62395883  0.81139567  0.05225089
   0.89096487  0.96819097  0.33758877
   0.92526764  0.87052642  0.15892472
   0.67475937  0.84827620  0.23444108
   0.82772051  0.67238504  0.47826725
   0.57669130  0.58637556  0.38974601
   0.60358664  0.60572784  0.56504537
   0.82920088  0.69942273  0.79597942
   0.60634443  0.82679541  0.45306908
   0.89916232  0.96158432  0.82571456
   0.94048921  0.83626840  0.65376420
   0.68525900  0.91695830  0.73999953
   0.78096807  0.62852430  0.97733380
   0.53281931  0.66377340  0.91414945
   0.72970353  0.82501213  0.58437223
   0.50844136  0.85342889  0.42677001
   0.90086173  0.19922577  0.07550168
   0.93183183  0.37670234  0.37027819
   0.35309383  0.15382819  0.61558447
   0.40159572  0.81849932  0.74439258
   0.17062051  1.14307717  0.16003349
   0.22436799  1.04352931 -0.00539576
   0.63687043  0.35072890  0.86416582
   0.91380665  0.40503340  0.59871977
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896152    0.038787   -0.100600
    -0.000000    9.754728    0.164385
    -0.000000    0.000000   13.936750
   Si   O    H 
    32    64    10
Direct configuration=  1838
   0.15646113  0.17737297 -0.03601382
   0.34960775  0.08634661  0.38073920
   0.14671936  0.40909432  0.11863971
   0.39408269  0.34118957  0.24914892
   0.09333061  0.18504588  0.48077287
   0.39415524  0.14063835  0.84224461
   0.13081475  0.42991946  0.61748800
   0.35592122  0.39423533  0.75326316
   0.15025003  0.68589829  0.01043700
   0.41356714  0.58403377  0.37171808
   0.08392330  0.90515253  0.13852270
   0.33088826  0.83092327  0.25391941
   0.16997380  0.67323806  0.48887865
   0.38401698  0.65009240  0.86289827
   0.06422113  0.91777395  0.59843157
   0.34210702  1.01397512  0.67023950
   0.61656514  0.13758702  1.00017711
   0.85422746  0.12961063  0.34525176
   0.62371433  0.39504822  0.11874522
   0.90037199  0.29365162  0.15871832
   0.60840326  0.17928103  0.49232990
   0.87934213  0.11282784  0.87162383
   0.58905197  0.44727125  0.60919290
   0.75969774  0.36875979  0.80587415
   0.62635100  0.66401156  0.01115983
   0.90909593  0.60062063  0.39333058
   0.58084420  0.89927885  0.14196674
   0.84452260  0.84975891  0.26130756
   0.66047560  0.66993681  0.46503877
   0.88518051  0.60608387  0.89463482
   0.63799902  0.93276782  0.62552486
   0.83632597  0.85346690  0.74705117
   0.11781545  0.06294291  0.13653598
   0.35087842  0.17461643  0.27723047
   0.15125149  0.30686960  0.02934017
   0.37868517  0.43013584  0.34336083
   0.54881448  0.33366426  0.20809798
   0.29719673  0.39305271  0.16291826
   0.21634063  0.11364943  0.43090319
  -0.02242925  0.22687189  0.39441002
   0.02967200  0.07734872  0.56176021
   0.45139630  0.25241020  0.75863733
   0.14325786  0.32650450  0.52299059
   0.37562625  0.48871811  0.84441680
   0.44543762  0.46832656  0.66315180
   0.20797358  0.35780929  0.71552386
   0.26314472  0.22963287 -0.11645874
   0.00389376  0.16629713  0.93713952
   0.13782058  0.57545421  0.09652276
   0.38571194  0.67618535  0.27429857
   0.13988932  0.85087133  0.03728963
   0.36061514  0.92314452  0.34847483
   0.42054254  0.87806088  0.16267829
   0.16757004  0.83760801  0.22799387
   0.32122935  0.65398996  0.46303213
   0.06709987  0.61415001  0.41425438
   0.17014487  0.58535731  0.59283186
   0.35583289  0.72733108  0.75983087
   0.10514706  0.82924345  0.50207863
   0.35297363  1.00640586  0.78405361
   0.47468088  0.92608665  0.63878445
   0.19705526  0.93000791  0.66317131
   0.28026800  0.67956322 -0.05175643
   0.02529167  0.64895507  0.93707933
   0.60232840  0.05467199  0.10149713
   0.85367185  0.18803279  0.23432929
   0.59047774  0.29859130  0.02321996
   0.85290255  0.44656168  0.37749384
   0.02645577  0.37787108  0.19319609
   0.78318944  0.41098092  0.15349327
   0.72883831  0.17129777  0.40852025
   0.48188077  0.10533979  0.44285646
   0.65444718  0.09636243  0.58693279
   0.83078567  0.21669253  0.78753477
   0.57993923  0.34528977  0.51653219
   0.88880327  0.44480280  0.85462043
   0.97512196  0.41831583  0.65438709
   0.70538519  0.40439862  0.69003519
   0.75798795  0.09527486  0.95041249
   0.48586596  0.09711413  0.92860675
   0.57069721  0.55116598  0.08194946
   0.87145413  0.69431551  0.29681344
   0.62622699  0.81238478  0.05158130
   0.89166930  0.96801331  0.33771992
   0.92481159  0.86963492  0.15927319
   0.67490303  0.84936371  0.23463871
   0.82732005  0.66981833  0.47692305
   0.57523217  0.58403714  0.38919861
   0.60473776  0.60711251  0.56481237
   0.82988012  0.70160415  0.79609580
   0.60630213  0.82675700  0.45236110
   0.90122777  0.96157340  0.82512216
   0.93990880  0.83771200  0.65308633
   0.68456302  0.91722211  0.73928488
   0.78225984  0.62698670  0.97789864
   0.53329787  0.66364786  0.91339773
   0.73083891  0.83072952  0.58843198
   0.51295382  0.85379877  0.42978863
   0.89815531  0.19940972  0.07126195
   0.92011594  0.38532016  0.37382492
   0.35422409  0.15062386  0.61595875
   0.39934257  0.81829925  0.74058548
   0.17206665  1.14401315  0.16079288
   0.22398042  1.04301751 -0.01163942
   0.63887453  0.34865707  0.86477256
   0.91708103  0.40155469  0.59894903
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895363    0.037282   -0.099772
    -0.000000    9.757345    0.163735
    -0.000000    0.000000   13.934851
   Si   O    H 
    32    64    10
Direct configuration=  1839
   0.15591475  0.17715797 -0.03634398
   0.34953747  0.08614043  0.38052580
   0.14625892  0.40925990  0.11870985
   0.39332342  0.34150492  0.24859976
   0.09324667  0.18512823  0.48057002
   0.39394079  0.13972343  0.84265915
   0.12974361  0.42899283  0.61722678
   0.35675527  0.39344036  0.75308174
   0.14911077  0.68469684  0.01051527
   0.41478471  0.58490697  0.37142746
   0.08418553  0.90397442  0.13831898
   0.33068599  0.83030457  0.25337376
   0.16924600  0.67228132  0.48802056
   0.38465169  0.64856675  0.86223442
   0.06362771  0.91842973  0.59866939
   0.34245242  1.01323866  0.67094548
   0.61661984  0.13667890  1.00085749
   0.85426612  0.12955521  0.34540841
   0.62290066  0.39466598  0.11889254
   0.89958478  0.29508339  0.16001740
   0.60781513  0.17820300  0.49266493
   0.87859647  0.11273730  0.87197665
   0.58795987  0.44931971  0.60871326
   0.75858288  0.36970046  0.80563686
   0.62593553  0.66453451  0.01088896
   0.90792862  0.60151101  0.39369110
   0.58112808  0.90009957  0.14035299
   0.84508203  0.85090867  0.26107688
   0.66089007  0.67128171  0.46484948
   0.88397386  0.60678181  0.89492450
   0.63866936  0.93150829  0.62619592
   0.83512769  0.85312430  0.74778527
   0.11896281  0.06150891  0.13622939
   0.34923653  0.17420239  0.27802845
   0.15144520  0.30692942  0.02941040
   0.37857950  0.42997834  0.34176056
   0.54776199  0.33213810  0.20691068
   0.29657084  0.39188817  0.16401685
   0.21719179  0.11260458  0.43096558
  -0.02143078  0.22433747  0.39394374
   0.02790662  0.07642721  0.56218596
   0.45001730  0.25273393  0.75927700
   0.14281999  0.32640707  0.52297187
   0.37573616  0.49005833  0.84473296
   0.44647961  0.46778353  0.66467323
   0.20792363  0.36132095  0.71528999
   0.26134903  0.22980496 -0.11653496
   0.00576943  0.16637107  0.93741198
   0.13726731  0.57796202  0.09531696
   0.38509102  0.67587394  0.27392666
   0.13934031  0.85048088  0.03777102
   0.36091504  0.92207914  0.34766743
   0.42033113  0.87833577  0.16368175
   0.16817227  0.83672088  0.22765467
   0.32275565  0.65405158  0.46401319
   0.06809966  0.61422447  0.41305566
   0.17145198  0.58669256  0.59393774
   0.35496076  0.72912587  0.76175313
   0.10339786  0.82840895  0.50288576
   0.35179401  1.00495802  0.78453948
   0.47354703  0.92606845  0.63799148
   0.19740630  0.93011586  0.66336365
   0.28047688  0.67954887 -0.05236030
   0.02669558  0.64893010  0.93803345
   0.60257434  0.05512616  0.10331286
   0.85432303  0.18946457  0.23539840
   0.58970110  0.29829791  0.02355427
   0.85211424  0.44590901  0.37709262
   0.02617677  0.37789489  0.19487765
   0.78405765  0.41100193  0.15368367
   0.72935671  0.16830231  0.40864158
   0.48250409  0.10532675  0.44321673
   0.65329663  0.09510422  0.58633945
   0.83173294  0.21713826  0.78724177
   0.58009114  0.34472765  0.51639645
   0.88940969  0.44490890  0.85496569
   0.97485681  0.42034805  0.65421934
   0.70429955  0.40413234  0.68988151
   0.75783045  0.09459820  0.94978714
   0.48501294  0.09632642  0.92995194
   0.57193743  0.55279883  0.08238578
   0.87124957  0.69452394  0.29756862
   0.62799240  0.81354669  0.05101856
   0.89245786  0.96773339  0.33777097
   0.92422548  0.86900631  0.15923944
   0.67477831  0.84981543  0.23532172
   0.82684260  0.66770099  0.47572924
   0.57378382  0.58231196  0.38911971
   0.60560935  0.60819935  0.56517465
   0.82989625  0.70295488  0.79647493
   0.60597865  0.82701378  0.45146046
   0.90264952  0.96186721  0.82457502
   0.93915585  0.83963428  0.65199084
   0.68393890  0.91849549  0.73900057
   0.78233134  0.62515531  0.97838342
   0.53363489  0.66396193  0.91264944
   0.73282282  0.83674984  0.58953518
   0.52059987  0.85452533  0.43102254
   0.89575076  0.20187028  0.07064699
   0.92293156  0.37750554  0.37492096
   0.35691231  0.14699425  0.61636757
   0.39418340  0.81266294  0.74080628
   0.16950716  1.13244161  0.16110380
   0.21980481  1.04494523 -0.01744948
   0.64036297  0.34961183  0.86469544
   0.91975365  0.39913314  0.59939226
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894833    0.035622   -0.098830
    -0.000000    9.760161    0.163647
    -0.000000    0.000000   13.932835
   Si   O    H 
    32    64    10
Direct configuration=  1840
   0.15602515  0.17670972 -0.03653684
   0.35023792  0.08568235  0.37973838
   0.14665778  0.40964096  0.11888329
   0.39302749  0.34142524  0.24776888
   0.09307856  0.18500411  0.48016766
   0.39407759  0.13907530  0.84279065
   0.12957989  0.42765406  0.61717928
   0.35818630  0.39299978  0.75252171
   0.14756371  0.68374420  0.01052941
   0.41579264  0.58587840  0.37079248
   0.08457263  0.90329498  0.13860262
   0.32991165  0.83001347  0.25287922
   0.16774032  0.67144381  0.48804528
   0.38557780  0.64751689  0.86212291
   0.06359679  0.91879360  0.59833036
   0.34312022  1.01284143  0.67102338
   0.61685143  0.13562758  1.00167904
   0.85486523  0.12941280  0.34520997
   0.62186442  0.39431054  0.11885076
   0.89856041  0.29614550  0.16108505
   0.60739861  0.17760581  0.49326449
   0.87782939  0.11235385  0.87213521
   0.58629275  0.45120523  0.60811929
   0.75728031  0.37031888  0.80530190
   0.62621162  0.66477893  0.01028492
   0.90696269  0.60242199  0.39364390
   0.58069841  0.90046286  0.13934103
   0.84518450  0.85139775  0.26046278
   0.66076570  0.67238687  0.46550410
   0.88310817  0.60747963  0.89469056
   0.63885801  0.93074592  0.62699442
   0.83450725  0.85357156  0.74830341
   0.11980694  0.06092187  0.13593424
   0.34790974  0.17439443  0.27846544
   0.15146144  0.30705865  0.02965011
   0.37847341  0.43019484  0.34062382
   0.54722427  0.33056695  0.20661048
   0.29597378  0.39106409  0.16542135
   0.21785437  0.11134742  0.43141694
  -0.02066436  0.22223087  0.39351002
   0.02664795  0.07578862  0.56259243
   0.44905391  0.25292835  0.76023780
   0.14264668  0.32671605  0.52317205
   0.37500376  0.49032623  0.84472668
   0.44683127  0.46656479  0.66657141
   0.20681319  0.36483399  0.71473437
   0.25993384  0.22951180 -0.11698969
   0.00615284  0.16542140  0.93719326
   0.13746519  0.57918834  0.09423291
   0.38334955  0.67508188  0.27349691
   0.13812381  0.84919101  0.03754225
   0.36120627  0.92115973  0.34688259
   0.42062636  0.87845977  0.16419883
   0.16856595  0.83556247  0.22771418
   0.32582045  0.65386360  0.46440993
   0.06862611  0.61379193  0.41126639
   0.17292926  0.58816626  0.59541316
   0.35399907  0.73082632  0.76361330
   0.10171268  0.82699603  0.50363864
   0.35162375  1.00386570  0.78523626
   0.47223249  0.92574068  0.63667470
   0.19812441  0.93051257  0.66297981
   0.28050818  0.67917783 -0.05330196
   0.02857120  0.64791171  0.93829244
   0.60279422  0.05572710  0.10494358
   0.85554858  0.19001427  0.23700734
   0.58919157  0.29847655  0.02370902
   0.85198294  0.44524597  0.37712871
   0.02615764  0.37719054  0.19658385
   0.78474131  0.41152579  0.15420426
   0.72942979  0.16544503  0.40878377
   0.48279585  0.10578179  0.44320737
   0.65296065  0.09322815  0.58562434
   0.83257271  0.21768437  0.78726077
   0.58073336  0.34378507  0.51642347
   0.88908985  0.44465413  0.85527597
   0.97463110  0.42266975  0.65419987
   0.70299882  0.40345607  0.68955849
   0.75776748  0.09395509  0.94854490
   0.48519695  0.09601111  0.93071314
   0.57284960  0.55295679  0.08292711
   0.87114755  0.69498027  0.29834386
   0.62949281  0.81457171  0.05087331
   0.89319422  0.96748059  0.33831000
   0.92405860  0.86819228  0.15949772
   0.67486110  0.85016899  0.23579321
   0.82532234  0.66594706  0.47463061
   0.57217810  0.58109747  0.38866917
   0.60651111  0.60804296  0.56544557
   0.83019473  0.70364442  0.79697174
   0.60777813  0.82799631  0.45035349
   0.90392004  0.96221338  0.82427060
   0.93782126  0.84143258  0.65142600
   0.68389218  0.91875283  0.73829265
   0.78184437  0.62309771  0.97936661
   0.53338221  0.66451086  0.91230344
   0.73621039  0.83818260  0.58662774
   0.51695409  0.85747431  0.42928849
   0.89386567  0.21028620  0.07233719
   0.92591061  0.36599748  0.37569296
   0.35825037  0.13827835  0.61925743
   0.39276471  0.81017192  0.73928059
   0.17666538  1.12831121  0.16723871
   0.21708498  1.04663964 -0.02137907
   0.63793725  0.35437641  0.86664849
   0.91797484  0.39490013  0.59884032
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894892    0.034611   -0.098197
    -0.000000    9.762735    0.163664
    -0.000000    0.000000   13.930577
   Si   O    H 
    32    64    10
Direct configuration=  1841
   0.15689954  0.17574951 -0.03684133
   0.35111250  0.08477303  0.37884106
   0.14659366  0.40981833  0.11888137
   0.39296180  0.34112879  0.24667116
   0.09260939  0.18447032  0.47971532
   0.39372586  0.13833350  0.84253530
   0.12901590  0.42624515  0.61701392
   0.35969730  0.39305556  0.75216147
   0.14680022  0.68337665  0.01004434
   0.41700605  0.58702157  0.37009419
   0.08405549  0.90253949  0.13856736
   0.32868540  0.82934762  0.25271899
   0.16604169  0.67033512  0.48820662
   0.38648370  0.64698837  0.86223132
   0.06361004  0.91910053  0.59763861
   0.34395572  1.01222604  0.67086083
   0.61696159  0.13455442  1.00228420
   0.85558875  0.12953432  0.34454233
   0.62113219  0.39488022  0.11873912
   0.89723746  0.29673244  0.16163439
   0.60722086  0.17782071  0.49341826
   0.87710150  0.11211568  0.87227569
   0.58451310  0.45302558  0.60755507
   0.75600821  0.37037144  0.80461189
   0.62651211  0.66430627  0.00932793
   0.90585124  0.60290492  0.39299786
   0.58025075  0.90020423  0.13880554
   0.84509435  0.85235675  0.25966488
   0.66037453  0.67332861  0.46588835
   0.88238900  0.60827744  0.89468630
   0.63876303  0.93034011  0.62759724
   0.83424906  0.85293604  0.74898763
   0.12103861  0.05990671  0.13629206
   0.34753469  0.17431782  0.27946085
   0.15202118  0.30778464  0.03077354
   0.37864042  0.43094816  0.34018564
   0.54643447  0.32861278  0.20699497
   0.29436272  0.39039569  0.16619709
   0.21748261  0.11069961  0.43268068
  -0.02012439  0.22021239  0.39367077
   0.02518200  0.07539407  0.56254606
   0.44749112  0.25300798  0.76130310
   0.14252166  0.32674108  0.52362789
   0.37368584  0.49001604  0.84501926
   0.44678581  0.46541239  0.66810986
   0.20573015  0.36738133  0.71421736
   0.25939733  0.22898907 -0.11851133
   0.00567274  0.16401293  0.93662732
   0.13781799  0.57969366  0.09348431
   0.38134331  0.67495352  0.27337378
   0.13701333  0.84783636  0.03753325
   0.36066408  0.92055063  0.34625886
   0.42089732  0.87886499  0.16466952
   0.16853215  0.83449833  0.22746419
   0.32869524  0.65331162  0.46356456
   0.06843267  0.61252094  0.40917367
   0.17447568  0.58971396  0.59645361
   0.35269301  0.73193457  0.76579092
   0.10105430  0.82445292  0.50455857
   0.35162120  1.00311737  0.78563881
   0.47120447  0.92524442  0.63494240
   0.19779823  0.93143848  0.66280105
   0.27998320  0.67864763 -0.05388830
   0.02956909  0.64684683  0.93761844
   0.60396242  0.05653102  0.10651506
   0.85553507  0.19054345  0.23997094
   0.58927926  0.29961179  0.02392581
   0.85326812  0.44409979  0.37724715
   0.02704256  0.37563046  0.19813933
   0.78351295  0.41248728  0.15415766
   0.72851397  0.16238316  0.40872180
   0.48309955  0.10595844  0.44305406
   0.65242083  0.09035926  0.58513874
   0.83331680  0.21788060  0.78716272
   0.58171694  0.34246140  0.51673451
   0.88910551  0.44569763  0.85553536
   0.97396487  0.42486934  0.65333408
   0.70183782  0.40258172  0.68937057
   0.75747564  0.09406185  0.94809741
   0.48642684  0.09592126  0.93219033
   0.57424518  0.55287463  0.08370024
   0.87179650  0.69615986  0.29898390
   0.63064983  0.81507166  0.05069273
   0.89298474  0.96706477  0.33826315
   0.92439156  0.86791819  0.15903842
   0.67440455  0.85095841  0.23656241
   0.82368638  0.66452252  0.47390069
   0.57132719  0.58050782  0.38870839
   0.60772891  0.60765355  0.56554313
   0.83132815  0.70449418  0.79705514
   0.60990545  0.82870134  0.44893722
   0.90568448  0.96267317  0.82419819
   0.93640923  0.84246729  0.65091477
   0.68450126  0.91888915  0.73777384
   0.78091385  0.62105463  0.98088494
   0.53315797  0.66506199  0.91171001
   0.73901924  0.83838852  0.58181630
   0.51369490  0.85640915  0.42673368
   0.89155305  0.22155607  0.07507662
   0.92448221  0.36144186  0.37444722
   0.35993852  0.13392821  0.62098484
   0.39502793  0.81505446  0.73825641
   0.18190578  1.12444874  0.17616378
   0.21751238  1.04270520 -0.02342837
   0.63610034  0.36208270  0.86825151
   0.91699994  0.39140515  0.59927288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894811    0.033583   -0.098033
    -0.000000    9.765543    0.163563
    -0.000000    0.000000   13.928548
   Si   O    H 
    32    64    10
Direct configuration=  1842
   0.15767002  0.17496152 -0.03697886
   0.35214003  0.08345552  0.37797217
   0.14611347  0.41022604  0.11830293
   0.39253963  0.34045852  0.24551204
   0.09221088  0.18419178  0.47958102
   0.39313510  0.13820884  0.84253194
   0.12777666  0.42528120  0.61707133
   0.36116888  0.39299118  0.75130183
   0.14577195  0.68319629  0.00924524
   0.41779326  0.58760330  0.36975504
   0.08356219  0.90160639  0.13845876
   0.32735612  0.82949794  0.25224339
   0.16440892  0.66976255  0.48858814
   0.38778267  0.64668377  0.86173949
   0.06341522  0.91933443  0.59721352
   0.34431732  1.01132984  0.67063678
   0.61813214  0.13345058  1.00314411
   0.85598576  0.12951610  0.34415123
   0.62044102  0.39553885  0.11854854
   0.89583052  0.29720658  0.16234244
   0.60701686  0.17776978  0.49309011
   0.87588761  0.11075567  0.87243149
   0.58295445  0.45497537  0.60681116
   0.75510784  0.37062750  0.80338353
   0.62713152  0.66396063  0.00780966
   0.90469206  0.60350800  0.39165877
   0.58041093  0.90032267  0.13871776
   0.84456715  0.85335309  0.25887781
   0.65937467  0.67498912  0.46623203
   0.88166068  0.60871831  0.89406551
   0.63838911  0.93054198  0.62765087
   0.83404805  0.85266060  0.74987333
   0.12260702  0.06004714  0.13671407
   0.34767721  0.17479821  0.28024567
   0.15298648  0.30898909  0.03147950
   0.37787652  0.43145921  0.34032939
   0.54551328  0.32648989  0.20725456
   0.29275550  0.38970104  0.16678000
   0.21710116  0.10959261  0.43418394
  -0.01966074  0.21776136  0.39368297
   0.02373690  0.07582840  0.56293392
   0.44550148  0.25264394  0.76248674
   0.14286253  0.32720058  0.52443345
   0.37206450  0.48860263  0.84475683
   0.44712673  0.46477440  0.66895669
   0.20518486  0.36983154  0.71361118
   0.25875356  0.22806113 -0.11999748
   0.00420382  0.16258058  0.93599668
   0.13725995  0.57974606  0.09298346
   0.37997793  0.67474598  0.27325136
   0.13581199  0.84634580  0.03763202
   0.35976170  0.92001753  0.34598368
   0.42178486  0.87936020  0.16504891
   0.16783259  0.83330835  0.22780748
   0.33132516  0.65278664  0.46243551
   0.06752159  0.61129493  0.40765432
   0.17507382  0.59018875  0.59716208
   0.35069774  0.73260814  0.76830991
   0.10102497  0.82254466  0.50546377
   0.35136774  1.00274627  0.78676638
   0.47047647  0.92489197  0.63253937
   0.19774364  0.93160626  0.66268028
   0.27931094  0.67836338 -0.05416437
   0.02952806  0.64663514  0.93733102
   0.60573367  0.05687966  0.10770749
   0.85501153  0.19063205  0.24289869
   0.58849411  0.29974348  0.02366175
   0.85564758  0.44331771  0.37795051
   0.02826607  0.37463588  0.19908552
   0.78203940  0.41382966  0.15368264
   0.72698664  0.15923867  0.40898952
   0.48262023  0.10631766  0.44258969
   0.65223739  0.08736618  0.58457716
   0.83347348  0.21807072  0.78678243
   0.58294398  0.34096511  0.51759112
   0.88854816  0.44714765  0.85642415
   0.97295965  0.42569318  0.65250323
   0.69999535  0.40231342  0.68984652
   0.75721466  0.09369273  0.94829614
   0.48803336  0.09540264  0.93349427
   0.57604456  0.55291783  0.08452458
   0.87241286  0.69762357  0.29899679
   0.63212537  0.81555457  0.05009649
   0.89309653  0.96662260  0.33783013
   0.92516499  0.86758796  0.15884838
   0.67379238  0.85259819  0.23734866
   0.82240203  0.66369544  0.47411523
   0.57165582  0.57991393  0.38953078
   0.60814836  0.60709787  0.56536931
   0.83213860  0.70494734  0.79712019
   0.61057371  0.82986505  0.44844208
   0.90835082  0.96289547  0.82436849
   0.93382703  0.84355725  0.65085899
   0.68481198  0.91885167  0.73761964
   0.77981405  0.61885874  0.98251525
   0.53339445  0.66510849  0.91083704
   0.74009022  0.84181808  0.58009782
   0.51688325  0.85278696  0.42506903
   0.89233575  0.23111444  0.07346500
   0.91958141  0.36523278  0.37533440
   0.35711544  0.13868216  0.61869358
   0.39336966  0.81867151  0.73847114
   0.17992152  1.11349101  0.18198892
   0.22142052  1.03668891 -0.02166970
   0.63922135  0.36896311  0.86988999
   0.91706179  0.38778420  0.60473103
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894850    0.032758   -0.097757
    -0.000000    9.768540    0.163754
    -0.000000    0.000000   13.926756
   Si   O    H 
    32    64    10
Direct configuration=  1843
   0.15835411  0.17434249 -0.03764176
   0.35292986  0.08310276  0.37704593
   0.14611086  0.41097133  0.11772019
   0.39212435  0.33986352  0.24481380
   0.09120952  0.18398100  0.48002455
   0.39284731  0.13781071  0.84277883
   0.12665329  0.42447253  0.61752124
   0.36243342  0.39281296  0.75091455
   0.14512227  0.68354295  0.00798836
   0.41821544  0.58836434  0.36904426
   0.08348713  0.90073838  0.13844660
   0.32602925  0.82950328  0.25207761
   0.16294369  0.66996576  0.48896029
   0.38839076  0.64630601  0.86172729
   0.06302175  0.91922736  0.59677662
   0.34384275  1.01055609  0.66998396
   0.61911434  0.13196946  1.00403137
   0.85683027  0.12958004  0.34403174
   0.62032412  0.39618800  0.11841973
   0.89414485  0.29784379  0.16256308
   0.60673328  0.17830223  0.49279620
   0.87486214  0.10956343  0.87256158
   0.58274344  0.45704119  0.60634539
   0.75437185  0.37049812  0.80163597
   0.62790159  0.66322376  0.00623418
   0.90352628  0.60398992  0.38994020
   0.58072163  0.90003233  0.13901692
   0.84450027  0.85450160  0.25822616
   0.65820260  0.67622985  0.46640234
   0.88095218  0.60962997  0.89325269
   0.63775952  0.93128149  0.62721264
   0.83435737  0.85337613  0.75079665
   0.12367274  0.06106970  0.13748057
   0.34875111  0.17431816  0.28098716
   0.15389555  0.31002234  0.03190562
   0.37751219  0.43186709  0.34081931
   0.54489382  0.32491656  0.20744125
   0.29146735  0.38885791  0.16757173
   0.21752899  0.10841144  0.43498617
  -0.01944946  0.21617697  0.39420326
   0.02273991  0.07632050  0.56264627
   0.44402314  0.25225760  0.76353707
   0.14299344  0.32704563  0.52513190
   0.37023973  0.48699742  0.84420952
   0.44707615  0.46482266  0.66947815
   0.20481791  0.37084326  0.71312774
   0.25803597  0.22743154 -0.12194649
   0.00181562  0.16146962  0.93515477
   0.13639391  0.57840923  0.09309344
   0.37896495  0.67455035  0.27310367
   0.13429447  0.84491748  0.03756245
   0.35932732  0.91988305  0.34610077
   0.42232942  0.88037556  0.16491988
   0.16783212  0.83216482  0.22794271
   0.33359279  0.65233005  0.46120597
   0.06625873  0.60961801  0.40595266
   0.17422673  0.59028358  0.59761231
   0.35053084  0.73437164  0.77083210
   0.10082099  0.82095485  0.50641512
   0.35166438  1.00262786  0.78768247
   0.46972835  0.92460097  0.63007411
   0.19753606  0.93210665  0.66244502
   0.27900015  0.67837418 -0.05389770
   0.02913722  0.64665357  0.93666069
   0.60731039  0.05729370  0.10850793
   0.85360943  0.19060370  0.24463965
   0.58796715  0.29964854  0.02352550
   0.85789086  0.44276735  0.37877927
   0.02958097  0.37469330  0.19964357
   0.78103947  0.41586890  0.15294625
   0.72599257  0.15566081  0.40925002
   0.48244516  0.10624112  0.44178785
   0.65154922  0.08466481  0.58382847
   0.83298811  0.21898965  0.78676622
   0.58423978  0.33949758  0.51839902
   0.88778607  0.44920672  0.85701269
   0.97218842  0.42657755  0.65180050
   0.69775185  0.40190793  0.68971933
   0.75714371  0.09358139  0.94893716
   0.48893420  0.09500007  0.93459329
   0.57746463  0.55320981  0.08553135
   0.87277114  0.69956262  0.29911893
   0.63437904  0.81583076  0.04934971
   0.89251316  0.96587943  0.33819744
   0.92612476  0.86800941  0.15910155
   0.67343049  0.85437607  0.23769227
   0.82100178  0.66325492  0.47501388
   0.57290350  0.57897236  0.39041103
   0.60894918  0.60720219  0.56539549
   0.83155821  0.70451201  0.79763588
   0.61139258  0.83098488  0.44754433
   0.91102425  0.96311849  0.82448764
   0.93118386  0.84459412  0.65108105
   0.68463977  0.91793556  0.73738103
   0.77932163  0.61668854  0.98350576
   0.53423265  0.66501265  0.91070893
   0.74052890  0.84714820  0.57916268
   0.52258921  0.85103848  0.42673446
   0.88972787  0.24020416  0.06859878
   0.91736952  0.37006185  0.37522657
   0.34926698  0.14486672  0.61474376
   0.38717182  0.80933703  0.74136703
   0.17683714  1.09944962  0.18654133
   0.22848019  1.03323923 -0.01893982
   0.64301613  0.37419218  0.87175678
   0.91340127  0.37956553  0.60540710
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894699    0.031676   -0.097479
    -0.000000    9.771350    0.163787
    -0.000000    0.000000   13.925366
   Si   O    H 
    32    64    10
Direct configuration=  1844
   0.15957959  0.17371588 -0.03799686
   0.35265160  0.08221018  0.37627145
   0.14601199  0.41172178  0.11726651
   0.39171147  0.33801818  0.24484549
   0.09010289  0.18399662  0.48070060
   0.39236980  0.13812384  0.84314302
   0.12561399  0.42387813  0.61785198
   0.36351204  0.39261993  0.75053944
   0.14433868  0.68450648  0.00672503
   0.41846870  0.58889330  0.36840197
   0.08344325  0.89948386  0.13864070
   0.32488824  0.82962206  0.25208607
   0.16176859  0.67026048  0.48968034
   0.38866089  0.64573858  0.86212075
   0.06248567  0.91879556  0.59666226
   0.34318754  1.00872194  0.66947287
   0.61986840  0.13120114  1.00425822
   0.85724824  0.12923139  0.34447644
   0.62068815  0.39744648  0.11788331
   0.89230963  0.29819335  0.16281809
   0.60709772  0.17911386  0.49218592
   0.87456615  0.10787789  0.87217508
   0.58295170  0.45894837  0.60569117
   0.75411991  0.37026394  0.79963701
   0.62869526  0.66220840  0.00485218
   0.90320531  0.60396919  0.38866922
   0.58138808  0.90037362  0.13959360
   0.84406924  0.85463275  0.25762144
   0.65725680  0.67801825  0.46681615
   0.88130282  0.61058469  0.89199875
   0.63683609  0.93137431  0.62666353
   0.83510606  0.85434634  0.75188996
   0.12437482  0.06218770  0.13810102
   0.34994774  0.17521215  0.28178218
   0.15447411  0.31042107  0.03221813
   0.37694705  0.43261103  0.34099002
   0.54421884  0.32423196  0.20754937
   0.29036912  0.38906664  0.16816735
   0.21901415  0.10707407  0.43550524
  -0.01901349  0.21341570  0.39483885
   0.02201812  0.07690744  0.56212247
   0.44360105  0.25226224  0.76482580
   0.14257012  0.32682188  0.52591565
   0.36833462  0.48568732  0.84293525
   0.44687512  0.46497389  0.66952990
   0.20486644  0.37257323  0.71243259
   0.25809905  0.22629563 -0.12382009
  -0.00090167  0.16021375  0.93375804
   0.13516534  0.57605524  0.09322992
   0.37739788  0.67414999  0.27288452
   0.13276674  0.84310636  0.03749796
   0.35918127  0.92003750  0.34611967
   0.42306552  0.88161568  0.16502405
   0.16717129  0.83095142  0.22808833
   0.33506011  0.65276303  0.45990464
   0.06456362  0.60822802  0.40458131
   0.17401177  0.58974476  0.59784109
   0.35039408  0.73488411  0.77323066
   0.10121118  0.81868353  0.50706728
   0.35199619  1.00265855  0.78900733
   0.46920574  0.92350513  0.62802472
   0.19755660  0.93209190  0.66208214
   0.27890349  0.67821164 -0.05341511
   0.02817465  0.64684426  0.93554281
   0.60884480  0.05831991  0.10905471
   0.85246201  0.19068164  0.24502982
   0.58840263  0.29891824  0.02391472
   0.85937970  0.44269822  0.37990229
   0.03148372  0.37432687  0.20024724
   0.78002844  0.41770960  0.15226419
   0.72538433  0.15355061  0.40975397
   0.48164144  0.10640497  0.44105285
   0.65120855  0.08258372  0.58303829
   0.83238312  0.21995710  0.78670345
   0.58524713  0.33804874  0.51947438
   0.88592849  0.45205881  0.85795833
   0.97161417  0.42655148  0.65098738
   0.69504808  0.40110478  0.68946120
   0.75750188  0.09357920  0.95020393
   0.48998165  0.09458466  0.93531919
   0.57888905  0.55308582  0.08675577
   0.87292893  0.70196813  0.29891232
   0.63528654  0.81558557  0.04817996
   0.89207720  0.96423168  0.33817234
   0.92748451  0.86882377  0.15934271
   0.67246354  0.85584398  0.23787902
   0.81975847  0.66361134  0.47627160
   0.57473587  0.57802776  0.39099678
   0.61070743  0.60756438  0.56551763
   0.83050935  0.70372483  0.79825552
   0.61261180  0.83271115  0.44626560
   0.91315704  0.96370825  0.82442545
   0.92794129  0.84586302  0.65163014
   0.68459296  0.91740912  0.73665931
   0.77920193  0.61521102  0.98467630
   0.53513703  0.66550837  0.91072274
   0.73563824  0.85170569  0.57918172
   0.52164403  0.85417041  0.42720647
   0.88893375  0.24875688  0.06380626
   0.92456682  0.36643630  0.37589214
   0.33842385  0.14649449  0.61387029
   0.39011366  0.80740372  0.74413455
   0.17904167  1.09250476  0.19394410
   0.23463436  1.03729601 -0.01567788
   0.64713339  0.38252762  0.87181963
   0.90979618  0.37214638  0.60715495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894501    0.030458   -0.097361
    -0.000000    9.773822    0.163653
    -0.000000    0.000000   13.924502
   Si   O    H 
    32    64    10
Direct configuration=  1845
   0.16084602  0.17409286 -0.03824258
   0.35255191  0.08154719  0.37541386
   0.14563225  0.41225974  0.11718512
   0.39175059  0.33605667  0.24525242
   0.08859114  0.18382650  0.48168868
   0.39185633  0.13805598  0.84394918
   0.12479084  0.42364423  0.61818230
   0.36440587  0.39263741  0.75045885
   0.14394737  0.68471524  0.00571836
   0.41887333  0.58917076  0.36795580
   0.08333751  0.89831192  0.13892645
   0.32454174  0.82999157  0.25206061
   0.16136955  0.67012969  0.48997280
   0.38875844  0.64480223  0.86254770
   0.06167488  0.91801755  0.59638957
   0.34265685  1.00660744  0.66887770
   0.62061620  0.13112571  1.00411620
   0.85746891  0.12881774  0.34532470
   0.62004885  0.39902711  0.11767600
   0.88997955  0.29897943  0.16288591
   0.60806285  0.17953635  0.49140851
   0.87497975  0.10634903  0.87184853
   0.58321690  0.45978469  0.60547878
   0.75417276  0.37016056  0.79795262
   0.62889736  0.66171658  0.00400449
   0.90288725  0.60365178  0.38716519
   0.58184562  0.90015778  0.13995183
   0.84338213  0.85454236  0.25712056
   0.65663613  0.67943108  0.46709295
   0.88170796  0.61121787  0.89116396
   0.63555478  0.93167735  0.62613208
   0.83668965  0.85580221  0.75256620
   0.12514724  0.06355978  0.13862034
   0.35078481  0.17654518  0.28211928
   0.15506695  0.31006566  0.03163047
   0.37520261  0.43284347  0.34127472
   0.54416975  0.32364242  0.20775142
   0.28964943  0.38989004  0.16845997
   0.21972254  0.10541761  0.43628212
  -0.01839995  0.21128770  0.39574554
   0.02122030  0.07779180  0.56199614
   0.44385959  0.25183764  0.76689273
   0.14363075  0.32638684  0.52650409
   0.36728775  0.48434006  0.84223149
   0.44667948  0.46450549  0.66912539
   0.20569206  0.37391603  0.71215161
   0.25882101  0.22472511 -0.12493467
  -0.00339368  0.15990732  0.93264534
   0.13400654  0.57292447  0.09390948
   0.37602015  0.67322294  0.27304460
   0.13232754  0.84145591  0.03794286
   0.35918300  0.92048599  0.34624229
   0.42383170  0.88236159  0.16497642
   0.16642175  0.82932929  0.22813928
   0.33680170  0.65401117  0.45886306
   0.06405498  0.60692571  0.40347007
   0.17362878  0.58889846  0.59776461
   0.34953230  0.73488016  0.77529507
   0.10125955  0.81709976  0.50774718
   0.35216857  1.00207148  0.78993384
   0.46852759  0.92254796  0.62626057
   0.19761364  0.93096594  0.66226361
   0.28005691  0.67709633 -0.05246123
   0.02745428  0.64740516  0.93467849
   0.61046798  0.05935330  0.10914148
   0.85136252  0.19092671  0.24432972
   0.58865484  0.29752131  0.02439896
   0.86140315  0.44343156  0.38079260
   0.03340340  0.37433596  0.20011238
   0.77804822  0.41945481  0.15170109
   0.72461972  0.15100707  0.41078926
   0.48145881  0.10701357  0.44052411
   0.65083135  0.08035105  0.58203911
   0.83173480  0.22052372  0.78695586
   0.58522259  0.33731311  0.52055664
   0.88348761  0.45360643  0.85860711
   0.97100958  0.42619756  0.64987098
   0.69225568  0.40142952  0.68916033
   0.75790963  0.09380223  0.95158854
   0.49188501  0.09471964  0.93609086
   0.58061525  0.55279405  0.08804870
   0.87299888  0.70498048  0.29803540
   0.63584067  0.81601094  0.04728078
   0.89239379  0.96221795  0.33805389
   0.92864267  0.86983478  0.15948115
   0.67322075  0.85678610  0.23734764
   0.81831775  0.66363516  0.47733298
   0.57613978  0.57737360  0.39139961
   0.61314169  0.60792811  0.56608179
   0.82911498  0.70281846  0.79840329
   0.61317201  0.83446729  0.44537241
   0.91481326  0.96381183  0.82391462
   0.92513073  0.84701076  0.65221659
   0.68422710  0.91617104  0.73605059
   0.77862876  0.61435106  0.98537233
   0.53646689  0.66657702  0.91071884
   0.72773801  0.84870474  0.57862702
   0.51647666  0.85666089  0.42775678
   0.89248746  0.25588681  0.06052591
   0.93141558  0.36689856  0.37860548
   0.32424805  0.14606117  0.61477322
   0.39862034  0.81990711  0.74155604
   0.18002287  1.08672508  0.19947826
   0.23502516  1.04497664 -0.01150613
   0.65203593  0.38505663  0.87036569
   0.90940873  0.37249913  0.61279771
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894294    0.028923   -0.097110
    -0.000000    9.776677    0.163827
    -0.000000    0.000000   13.924196
   Si   O    H 
    32    64    10
Direct configuration=  1846
   0.16194204  0.17444214 -0.03812572
   0.35216556  0.08036087  0.37509235
   0.14501813  0.41266801  0.11766161
   0.39116172  0.33340825  0.24626358
   0.08774617  0.18304591  0.48284607
   0.39152578  0.13759775  0.84525690
   0.12419656  0.42378953  0.61867432
   0.36485556  0.39211318  0.75035009
   0.14332827  0.68527892  0.00479027
   0.41953275  0.58921630  0.36745563
   0.08322229  0.89736814  0.13891940
   0.32493016  0.83071665  0.25143312
   0.16082698  0.66948387  0.49054676
   0.38814929  0.64357901  0.86286382
   0.06060043  0.91730913  0.59635866
   0.34195882  1.00522495  0.66825106
   0.62098625  0.13119587  1.00388158
   0.85778687  0.12786966  0.34693554
   0.62018057  0.40003693  0.11764613
   0.88788585  0.30002572  0.16279207
   0.60818221  0.17952343  0.49051021
   0.87548924  0.10459861  0.87201542
   0.58405687  0.46093692  0.60558949
   0.75472923  0.37046245  0.79601626
   0.62866597  0.66148417  0.00295771
   0.90281207  0.60339546  0.38592075
   0.58287266  0.90028778  0.13982199
   0.84265801  0.85422721  0.25633198
   0.65597235  0.68072029  0.46698450
   0.88257008  0.61193750  0.89051266
   0.63331566  0.93193977  0.62571709
   0.83846109  0.85751477  0.75371632
   0.12605278  0.06407972  0.13946658
   0.35178168  0.17778782  0.28225040
   0.15577777  0.30917885  0.03096247
   0.37357198  0.43167521  0.34128022
   0.54410469  0.32316446  0.20805678
   0.28867443  0.39086387  0.16888276
   0.21958602  0.10390190  0.43714980
  -0.01704911  0.20937690  0.39664134
   0.01961780  0.07840238  0.56140784
   0.44462912  0.24994808  0.76843705
   0.14463755  0.32550266  0.52660864
   0.36596220  0.48333350  0.84158312
   0.44602154  0.46506055  0.66864416
   0.20684688  0.37534542  0.71226997
   0.26040560  0.22393214 -0.12633512
  -0.00421021  0.15846622  0.93178802
   0.13143445  0.56991074  0.09404059
   0.37490614  0.67201378  0.27301175
   0.13065492  0.84002130  0.03807985
   0.35920737  0.92058757  0.34652457
   0.42374851  0.88276902  0.16485860
   0.16524831  0.82732832  0.22804484
   0.33749890  0.65503426  0.45779719
   0.06378106  0.60561120  0.40337447
   0.17350893  0.58769084  0.59682409
   0.34916155  0.73573747  0.77652679
   0.10165471  0.81586303  0.50810648
   0.35245593  1.00148336  0.79038724
   0.46745893  0.92154010  0.62439046
   0.19768989  0.93083255  0.66236938
   0.28118430  0.67604576 -0.05189005
   0.02565792  0.64759544  0.93304454
   0.61262934  0.06090359  0.10930954
   0.85032824  0.19139373  0.24288961
   0.58946505  0.29567825  0.02495786
   0.86320404  0.44462138  0.38139653
   0.03553780  0.37306548  0.19996984
   0.77505095  0.42028183  0.15064761
   0.72393258  0.14909090  0.41167445
   0.48181602  0.10768903  0.44045031
   0.65067966  0.07924332  0.58066696
   0.83162197  0.22106281  0.78768748
   0.58547265  0.33655707  0.52164286
   0.88070608  0.45423198  0.85865263
   0.96986528  0.42606956  0.64951728
   0.68965307  0.40194573  0.68928715
   0.75836377  0.09432904  0.95266581
   0.49329104  0.09472514  0.93679336
   0.58108987  0.55258340  0.08882766
   0.87384574  0.70688087  0.29621613
   0.63599408  0.81605927  0.04655479
   0.89279565  0.96092061  0.33808087
   0.92990965  0.87087952  0.15919793
   0.67366041  0.85777114  0.23685603
   0.81675782  0.66303787  0.47855040
   0.57794020  0.57759355  0.39136880
   0.61510033  0.60848972  0.56678107
   0.82749171  0.70166563  0.79854641
   0.61305658  0.83593452  0.44432413
   0.91570335  0.96405474  0.82341582
   0.92377089  0.84851794  0.65240561
   0.68368260  0.91440515  0.73542032
   0.77773881  0.61365003  0.98566938
   0.53809089  0.66676700  0.91069059
   0.72264884  0.84354935  0.57547577
   0.51410971  0.85425608  0.42711929
   0.89696206  0.26167422  0.05927654
   0.93517213  0.37358437  0.37902449
   0.31197401  0.14001013  0.61671744
   0.40207037  0.81952383  0.74564400
   0.18145229  1.07875653  0.19953182
   0.23166849  1.05421450 -0.00721204
   0.65549440  0.38851846  0.86528527
   0.90510733  0.37058876  0.61501215
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894613    0.027439   -0.096242
    -0.000000    9.779981    0.163655
    -0.000000    0.000000   13.924027
   Si   O    H 
    32    64    10
Direct configuration=  1847
   0.16267434  0.17510179 -0.03803123
   0.35251397  0.07943185  0.37513869
   0.14494787  0.41271502  0.11800607
   0.39073891  0.33120205  0.24801788
   0.08765862  0.18208028  0.48418957
   0.39169622  0.13767089  0.84620207
   0.12367916  0.42455158  0.61940137
   0.36577427  0.39201439  0.75029391
   0.14264058  0.68510245  0.00404347
   0.41977917  0.58877248  0.36714089
   0.08297213  0.89772972  0.13837774
   0.32485757  0.83124202  0.25085182
   0.16054144  0.66882284  0.49087644
   0.38748584  0.64195749  0.86324336
   0.05915244  0.91709823  0.59675965
   0.34143163  1.00422309  0.66784325
   0.62095335  0.13184831  1.00391763
   0.85808613  0.12636911  0.34863019
   0.62078772  0.40099982  0.11728974
   0.88550636  0.30131693  0.16266818
   0.60858129  0.17960014  0.48988148
   0.87581523  0.10364658  0.87242405
   0.58532813  0.46137656  0.60596862
   0.75623451  0.37084009  0.79401229
   0.62832817  0.66074935  0.00227690
   0.90235858  0.60271980  0.38425838
   0.58383253  0.90092760  0.13921619
   0.84181777  0.85450816  0.25579401
   0.65570662  0.68100040  0.46742120
   0.88320430  0.61232266  0.89007648
   0.63081509  0.93244740  0.62528802
   0.84019231  0.85989360  0.75479208
   0.12619749  0.06517723  0.14100189
   0.35306680  0.17845264  0.28243114
   0.15613928  0.30837595  0.02983226
   0.37217056  0.43074594  0.34205017
   0.54338739  0.32286594  0.20839409
   0.28830757  0.39069082  0.16960248
   0.21957759  0.10284833  0.43805437
  -0.01512750  0.20726200  0.39740366
   0.01780119  0.07892842  0.56063141
   0.44685021  0.24745773  0.76987755
   0.14549010  0.32506756  0.52609734
   0.36477449  0.48276886  0.84189921
   0.44612120  0.46587365  0.66745801
   0.20760710  0.37622834  0.71248718
   0.26204019  0.22256451 -0.12729785
  -0.00385297  0.15738740  0.93101331
   0.12901076  0.56683878  0.09382155
   0.37340330  0.67122051  0.27279120
   0.12948944  0.83908301  0.03876484
   0.35951766  0.92082614  0.34622003
   0.42336968  0.88245688  0.16505969
   0.16441471  0.82504935  0.22814238
   0.33737416  0.65626287  0.45703190
   0.06361819  0.60421697  0.40300677
   0.17365296  0.58608391  0.59577161
   0.35016036  0.73710420  0.77697123
   0.10252034  0.81553819  0.50847885
   0.35334159  1.00068172  0.79061399
   0.46597519  0.92067969  0.62309190
   0.19778663  0.93141410  0.66237065
   0.28200861  0.67507971 -0.05187460
   0.02361494  0.64750671  0.93136857
   0.61438977  0.06225151  0.10884443
   0.84903060  0.19089786  0.24214306
   0.59045940  0.29510415  0.02550599
   0.86451287  0.44537634  0.38180199
   0.03683234  0.37109813  0.19937456
   0.77247156  0.42063443  0.14966099
   0.72337754  0.14669618  0.41205418
   0.48244473  0.10802751  0.44042568
   0.65094619  0.07844748  0.57899108
   0.83094237  0.22195871  0.78885962
   0.58636350  0.33590310  0.52263275
   0.87796235  0.45434209  0.85892286
   0.96813223  0.42516778  0.64941258
   0.68745930  0.40180281  0.68962645
   0.75855911  0.09441039  0.95315218
   0.49404005  0.09454898  0.93729999
   0.58078401  0.55277197  0.08900752
   0.87488092  0.70927539  0.29434489
   0.63569570  0.81635587  0.04520723
   0.89371630  0.96019722  0.33813876
   0.93072538  0.87188510  0.15905022
   0.67478715  0.85887745  0.23630508
   0.81552808  0.66316282  0.47905447
   0.57927786  0.57828644  0.39155162
   0.61605977  0.60899896  0.56788364
   0.82538258  0.70063605  0.79940314
   0.61231554  0.83799229  0.44262937
   0.91760147  0.96393515  0.82309786
   0.92361452  0.85017082  0.65210253
   0.68294892  0.91410043  0.73451667
   0.77782454  0.61331118  0.98539526
   0.53947964  0.66668648  0.91035758
   0.72024472  0.83680696  0.57281219
   0.51546932  0.85109020  0.42879665
   0.90021345  0.26224755  0.05726380
   0.93764311  0.38465490  0.38001583
   0.30449019  0.12836584  0.61971245
   0.39638915  0.80980809  0.75587110
   0.18044360  1.07273147  0.19859160
   0.22828546  1.05902025 -0.00115582
   0.65280159  0.38924677  0.85970583
   0.89748686  0.37279508  0.61853536
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895032    0.025259   -0.095181
    -0.000000    9.782900    0.162920
    -0.000000    0.000000   13.924111
   Si   O    H 
    32    64    10
Direct configuration=  1848
   0.16269412  0.17595672 -0.03783690
   0.35316434  0.07866131  0.37533193
   0.14419591  0.41247579  0.11801733
   0.39023650  0.32935327  0.24971799
   0.08790305  0.18165797  0.48570143
   0.39218031  0.13726137  0.84688484
   0.12391860  0.42595209  0.62011997
   0.36636591  0.39161860  0.75007660
   0.14178862  0.68544598  0.00336776
   0.41975449  0.58778399  0.36697690
   0.08337008  0.89833745  0.13770118
   0.32521493  0.83107096  0.25024244
   0.16096470  0.66758552  0.49118381
   0.38639570  0.64013601  0.86380885
   0.05764854  0.91694658  0.59724179
   0.34059359  1.00363526  0.66752994
   0.62094631  0.13206181  1.00358480
   0.85861982  0.12459967  0.35022536
   0.62063414  0.40138073  0.11676297
   0.88354873  0.30292166  0.16276776
   0.60932485  0.17933778  0.48943311
   0.87512565  0.10306946  0.87276014
   0.58606855  0.46111019  0.60670204
   0.75786546  0.37092486  0.79203838
   0.62825917  0.66033331  0.00211029
   0.90234922  0.60208349  0.38299779
   0.58421522  0.90121089  0.13904649
   0.84109511  0.85479550  0.25539139
   0.65501690  0.68160735  0.46792673
   0.88266949  0.61214177  0.88949042
   0.62845545  0.93266575  0.62478440
   0.84131898  0.86249495  0.75540714
   0.12628710  0.06567301  0.14292986
   0.35313283  0.17803226  0.28178921
   0.15639961  0.30807646  0.02889435
   0.37055054  0.42985310  0.34337824
   0.54258277  0.32328937  0.20857075
   0.28891786  0.39042700  0.17050176
   0.21895083  0.10172007  0.43938589
  -0.01340848  0.20596203  0.39864370
   0.01640563  0.07857406  0.55949284
   0.45005710  0.24515062  0.77096747
   0.14591057  0.32402016  0.52527411
   0.36359197  0.48214378  0.84252281
   0.44628652  0.46723125  0.66661204
   0.20908542  0.37642191  0.71250190
   0.26301392  0.22229174 -0.12847831
  -0.00172924  0.15631029  0.93023037
   0.12724035  0.56445334  0.09332733
   0.37243985  0.67057641  0.27205933
   0.12879581  0.83784781  0.03923847
   0.35964880  0.92089538  0.34622216
   0.42305734  0.88229635  0.16493226
   0.16378471  0.82217831  0.22827903
   0.33587518  0.65763831  0.45623184
   0.06393180  0.60246494  0.40293509
   0.17347908  0.58411505  0.59450846
   0.35048374  0.73802265  0.77726830
   0.10276938  0.81508362  0.50874292
   0.35438936  0.99917135  0.79044462
   0.46426254  0.91887273  0.62209169
   0.19642612  0.93177028  0.66243300
   0.28172877  0.67442479 -0.05158293
   0.02176068  0.64789660  0.92991885
   0.61544941  0.06259923  0.10855279
   0.84820966  0.19018257  0.24119782
   0.59145778  0.29513413  0.02618826
   0.86462562  0.44570981  0.38185399
   0.03759797  0.36991088  0.19883011
   0.77065218  0.42102453  0.14961782
   0.72253584  0.14533878  0.41219278
   0.48228916  0.10936315  0.44041055
   0.65137582  0.07860442  0.57775292
   0.83008960  0.22242861  0.79059888
   0.58642437  0.33583356  0.52311530
   0.87522573  0.45425254  0.85823064
   0.96573792  0.42419966  0.64962110
   0.68545185  0.40141710  0.69031283
   0.75910379  0.09441831  0.95276466
   0.49481167  0.09463018  0.93723108
   0.57925475  0.55297239  0.08938782
   0.87595259  0.71060348  0.29247483
   0.63509538  0.81715757  0.04355021
   0.89435014  0.95924141  0.33835829
   0.93094314  0.87289898  0.15877450
   0.67544329  0.86044947  0.23563204
   0.81474854  0.66348056  0.47943676
   0.57965493  0.57822589  0.39145894
   0.61711657  0.60991707  0.56959151
   0.82372464  0.69983130  0.80027867
   0.61149609  0.83946113  0.44134475
   0.92000108  0.96392756  0.82267149
   0.92395429  0.85246869  0.65184933
   0.68220233  0.91372397  0.73409990
   0.77766345  0.61399764  0.98418453
   0.54115128  0.66627375  0.91000048
   0.71621829  0.83149573  0.57310385
   0.51818323  0.84687701  0.43076550
   0.90373694  0.26004249  0.05756800
   0.94377374  0.38871521  0.38005410
   0.29758135  0.11940203  0.62166670
   0.39886035  0.81467886  0.76248714
   0.17789262  1.06839514  0.19975256
   0.22581509  1.05632534  0.00610478
   0.64513104  0.38811735  0.85764298
   0.89076511  0.37519671  0.62195456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895878    0.023093   -0.093683
    -0.000000    9.786275    0.162179
    -0.000000    0.000000   13.924288
   Si   O    H 
    32    64    10
Direct configuration=  1849
   0.16233224  0.17716705 -0.03799231
   0.35319413  0.07831705  0.37535590
   0.14306430  0.41158241  0.11796575
   0.38954104  0.32869278  0.25153200
   0.08838403  0.18104414  0.48745599
   0.39273678  0.13676820  0.84757870
   0.12440534  0.42741699  0.62050626
   0.36712698  0.39052684  0.75005699
   0.14070244  0.68484796  0.00285692
   0.41997144  0.58695518  0.36693937
   0.08433293  0.89894936  0.13704277
   0.32585829  0.83048947  0.25005397
   0.16141529  0.66611108  0.49171270
   0.38536844  0.63786131  0.86469861
   0.05672878  0.91722279  0.59746659
   0.33898051  1.00306963  0.66776729
   0.62091860  0.13286343  1.00353690
   0.85869442  0.12295752  0.35176150
   0.62009258  0.40148631  0.11660536
   0.88175884  0.30507312  0.16283557
   0.61017119  0.17831845  0.48912993
   0.87349385  0.10251569  0.87309530
   0.58643489  0.46056644  0.60713802
   0.75933313  0.37098312  0.79107982
   0.62885862  0.66014514  0.00244872
   0.90277237  0.60181794  0.38149681
   0.58449788  0.90102995  0.13838296
   0.84046202  0.85589821  0.25453774
   0.65440665  0.68165754  0.46835872
   0.88108290  0.61185799  0.88918397
   0.62668873  0.93279818  0.62400182
   0.84151602  0.86383419  0.75555341
   0.12558549  0.06686565  0.14435698
   0.35289056  0.17751502  0.28123643
   0.15691984  0.30815542  0.02805328
   0.36959930  0.42878436  0.34423591
   0.54185234  0.32381542  0.20881047
   0.28924750  0.38960938  0.17132406
   0.21898893  0.09998166  0.44095374
  -0.01140169  0.20451331  0.39951211
   0.01493992  0.07792552  0.55893674
   0.45273350  0.24414486  0.77127051
   0.14643921  0.32306140  0.52483529
   0.36225358  0.48132786  0.84337048
   0.44690164  0.46768829  0.66596863
   0.20984090  0.37699767  0.71262293
   0.26232092  0.22119658 -0.12947809
   0.00112363  0.15585226  0.92953808
   0.12657324  0.56271141  0.09276763
   0.37169449  0.66942333  0.27137145
   0.12722402  0.83666085  0.04010083
   0.36008526  0.92106377  0.34635458
   0.42291849  0.88138813  0.16486697
   0.16274378  0.81932762  0.22883297
   0.33417285  0.65933091  0.45568399
   0.06451083  0.60059509  0.40277225
   0.17246108  0.58192689  0.59362482
   0.34951390  0.73824522  0.77672776
   0.10287420  0.81531919  0.50936942
   0.35480010  0.99844557  0.79033959
   0.46265022  0.91763803  0.62130540
   0.19403639  0.93158929  0.66245173
   0.28184948  0.67389648 -0.05161936
   0.02076598  0.65028204  0.92871437
   0.61640364  0.06190079  0.10884294
   0.84735836  0.18966273  0.24085214
   0.59341341  0.29522488  0.02647181
   0.86446286  0.44605888  0.38193013
   0.03675087  0.36868746  0.19832440
   0.76985249  0.42166055  0.14978156
   0.72212547  0.14457065  0.41218206
   0.48197550  0.10974063  0.44003169
   0.65124820  0.07905823  0.57628356
   0.82981335  0.22188062  0.79237311
   0.58594403  0.33586980  0.52339990
   0.87304739  0.45381711  0.85769758
   0.96379804  0.42364402  0.64965014
   0.68445496  0.40095242  0.69071355
   0.75888975  0.09386005  0.95243131
   0.49432894  0.09469531  0.93678599
   0.57756072  0.55320969  0.08916462
   0.87815218  0.71090073  0.29137515
   0.63387346  0.81701506  0.04207542
   0.89455600  0.95874724  0.33846010
   0.93064677  0.87356267  0.15838922
   0.67539710  0.86216043  0.23481637
   0.81497069  0.66349940  0.47893410
   0.57972398  0.57725759  0.39163057
   0.61790747  0.61151469  0.57083636
   0.82205334  0.69901390  0.80118938
   0.61100023  0.83998330  0.43961149
   0.92174153  0.96393489  0.82263944
   0.92417494  0.85506601  0.65167421
   0.68252024  0.91274410  0.73452487
   0.77870223  0.61441255  0.98324538
   0.54197358  0.66566223  0.91008877
   0.71341576  0.82917333  0.57298630
   0.51327701  0.84523218  0.43100458
   0.90477361  0.25845251  0.06179624
   0.95273026  0.38846750  0.38031124
   0.29675368  0.12316220  0.62053523
   0.40879524  0.82815791  0.76781769
   0.18183914  1.06458459  0.20500994
   0.22733397  1.04907385  0.01302803
   0.63804537  0.38709990  0.85564654
   0.88554249  0.38085093  0.62547957
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896649    0.020747   -0.091866
    -0.000000    9.789455    0.160845
    -0.000000    0.000000   13.924419
   Si   O    H 
    32    64    10
Direct configuration=  1850
   0.16227516  0.17724859 -0.03844436
   0.35376882  0.07793918  0.37565517
   0.14283808  0.41056416  0.11766416
   0.38893192  0.32902524  0.25323513
   0.09002546  0.18001547  0.48877401
   0.39388081  0.13607404  0.84828281
   0.12493268  0.42900308  0.62078272
   0.36860506  0.38954379  0.74969648
   0.13974848  0.68408688  0.00188871
   0.42058862  0.58624953  0.36691501
   0.08546153  0.90011591  0.13693483
   0.32625993  0.82922030  0.25019208
   0.16180735  0.66419104  0.49253530
   0.38483773  0.63601633  0.86597680
   0.05587819  0.91785003  0.59724299
   0.33749238  1.00223181  0.66872374
   0.62058052  0.13378071  1.00402835
   0.85825465  0.12187156  0.35266028
   0.61925532  0.40123473  0.11708075
   0.88084593  0.30692058  0.16260262
   0.61096331  0.17778838  0.48845043
   0.87148372  0.10248850  0.87320828
   0.58654261  0.46020669  0.60752741
   0.76073638  0.37133390  0.79015665
   0.62950932  0.66013235  0.00301159
   0.90328289  0.60248767  0.38034082
   0.58523039  0.90014679  0.13781200
   0.83997622  0.85741266  0.25345092
   0.65390060  0.68176691  0.46900598
   0.87969756  0.61133056  0.88959390
   0.62515547  0.93270981  0.62329201
   0.84182874  0.86461120  0.75558706
   0.12484465  0.06790160  0.14621749
   0.35171898  0.17703773  0.28084943
   0.15724955  0.30936087  0.02690583
   0.36941027  0.42849421  0.34509613
   0.54135384  0.32466520  0.20865249
   0.28888644  0.38892598  0.17251476
   0.21818645  0.09842361  0.44245564
  -0.01009112  0.20376361  0.39973446
   0.01346670  0.07698070  0.55858837
   0.45547712  0.24361807  0.77085784
   0.14689602  0.32319669  0.52491798
   0.36151822  0.48062993  0.84433800
   0.44843021  0.46774228  0.66531718
   0.21135365  0.37817476  0.71241269
   0.26085989  0.21944442 -0.12979616
   0.00498472  0.15498668  0.92882976
   0.12617643  0.56165752  0.09165605
   0.37130370  0.66841162  0.27016165
   0.12642915  0.83511468  0.04064176
   0.36022265  0.92100366  0.34580936
   0.42297990  0.88037424  0.16488985
   0.16174786  0.81744599  0.22958235
   0.33305838  0.66110671  0.45462385
   0.06539772  0.59854994  0.40281248
   0.17128025  0.58060392  0.59268938
   0.34875574  0.73836414  0.77573875
   0.10248616  0.81635199  0.50943884
   0.35571310  0.99783019  0.79035218
   0.46175095  0.91631091  0.62083160
   0.19151604  0.93077415  0.66226430
   0.28251998  0.67225995 -0.05150923
   0.02020731  0.65279046  0.92738241
   0.61790102  0.06111807  0.10885310
   0.84627380  0.18872417  0.24077938
   0.59532625  0.29561990  0.02723399
   0.86464953  0.44516229  0.38210729
   0.03454524  0.36770797  0.19791968
   0.76921055  0.42315930  0.15034377
   0.72236239  0.14382391  0.41106288
   0.48129086  0.10940131  0.44009905
   0.65109159  0.07949529  0.57565614
   0.83040757  0.22048084  0.79372883
   0.58530770  0.33562278  0.52334334
   0.87075706  0.45301684  0.85665549
   0.96301582  0.42289798  0.64971532
   0.68349594  0.40006190  0.69094801
   0.75750441  0.09287703  0.95186765
   0.49329850  0.09524795  0.93617939
   0.57650717  0.55393756  0.08851144
   0.87980016  0.71032508  0.28994348
   0.63336160  0.81701979  0.04101331
   0.89423918  0.95823116  0.33855516
   0.92996448  0.87576572  0.15832316
   0.67565411  0.86436849  0.23366881
   0.81511984  0.66387017  0.47770633
   0.57905956  0.57548493  0.39141648
   0.61782034  0.61347085  0.57199952
   0.82034102  0.69983974  0.80165715
   0.61039414  0.84045736  0.43751359
   0.92286500  0.96355470  0.82242136
   0.92424405  0.85624642  0.65242301
   0.68240493  0.91331578  0.73564577
   0.78047579  0.61401109  0.98176387
   0.54217373  0.66539487  0.90943789
   0.70904097  0.82976143  0.57885527
   0.50682704  0.84429445  0.43082444
   0.90148100  0.25558979  0.06568672
   0.94795272  0.38886069  0.37853154
   0.29680202  0.13049126  0.61818939
   0.40981130  0.82621253  0.77502862
   0.18610568  1.06274510  0.20628678
   0.22210834  1.05011372  0.01719451
   0.63149055  0.38515611  0.85297657
   0.87711441  0.38073892  0.62503157
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897649    0.018469   -0.090199
    -0.000000    9.792497    0.159508
    -0.000000    0.000000   13.924484
   Si   O    H 
    32    64    10
Direct configuration=  1851
   0.16256749  0.17683525 -0.03856256
   0.35358237  0.07723949  0.37588370
   0.14342174  0.40947364  0.11794145
   0.38861374  0.32965615  0.25494818
   0.09183488  0.17905994  0.48991102
   0.39547301  0.13525670  0.84909328
   0.12520637  0.42947382  0.62089152
   0.37009950  0.38851796  0.74921391
   0.13889280  0.68207927  0.00102053
   0.42046330  0.58588031  0.36652699
   0.08595052  0.90188600  0.13717478
   0.32664525  0.82715051  0.25042744
   0.16251728  0.66248826  0.49310113
   0.38473018  0.63477783  0.86681901
   0.05506960  0.91905526  0.59707419
   0.33606427  1.00184728  0.66933430
   0.62088425  0.13497496  1.00502543
   0.85780687  0.12064332  0.35324751
   0.61759318  0.40120526  0.11685384
   0.88073586  0.30811161  0.16250173
   0.61141082  0.17675428  0.48753015
   0.86966585  0.10303742  0.87300506
   0.58615073  0.45886675  0.60807777
   0.76171475  0.37182043  0.78987030
   0.63027034  0.65953933  0.00344589
   0.90331683  0.60325324  0.37894243
   0.58542716  0.89927786  0.13728461
   0.83908552  0.85857642  0.25275097
   0.65344891  0.68239717  0.46928089
   0.87838605  0.61070021  0.88955407
   0.62375227  0.93294709  0.62219341
   0.84208040  0.86457386  0.75540733
   0.12405824  0.06829916  0.14821350
   0.35040137  0.17612749  0.28053271
   0.15736700  0.31114893  0.02654335
   0.37014430  0.42785295  0.34626685
   0.54026543  0.32541573  0.20794570
   0.28891595  0.38887483  0.17332449
   0.21844930  0.09785724  0.44336601
  -0.00970396  0.20416274  0.39997862
   0.01218588  0.07562250  0.55885063
   0.45767220  0.24258884  0.77049572
   0.14714384  0.32348608  0.52558511
   0.36046742  0.47928172  0.84477504
   0.44967103  0.46676717  0.66495075
   0.21308743  0.37927237  0.71207533
   0.25892330  0.21804273 -0.12956898
   0.00892179  0.15452879  0.92869243
   0.12542898  0.56270368  0.09016710
   0.37091226  0.66905700  0.26913097
   0.12657578  0.83331618  0.04064538
   0.36015950  0.92025894  0.34538523
   0.42349660  0.87929758  0.16478129
   0.16130693  0.81587443  0.23031432
   0.33123987  0.66212226  0.45322201
   0.06578895  0.59743521  0.40302185
   0.16968582  0.57869133  0.59133461
   0.34830630  0.73896783  0.77466268
   0.10167852  0.81700549  0.50951736
   0.35799712  0.99730984  0.78993310
   0.46183574  0.91510870  0.62000540
   0.18873051  0.92986503  0.66213349
   0.28279738  0.67037497 -0.05129791
   0.02006718  0.65561028  0.92597847
   0.61886353  0.06117142  0.10898082
   0.84481779  0.18785888  0.24092231
   0.59803464  0.29624922  0.02803547
   0.86457621  0.44322616  0.38240853
   0.03173553  0.36664802  0.19755534
   0.76864373  0.42447155  0.15126813
   0.72274586  0.14378633  0.40999042
   0.48083387  0.10835374  0.44049749
   0.65105460  0.07983973  0.57538607
   0.83003829  0.21882777  0.79476658
   0.58460016  0.33583032  0.52315074
   0.86909929  0.45278388  0.85547308
   0.96203342  0.42197270  0.64977370
   0.68303574  0.40021349  0.69105596
   0.75592139  0.09227696  0.95195614
   0.49215086  0.09606412  0.93531472
   0.57388248  0.55378582  0.08765600
   0.88055752  0.70969551  0.28934891
   0.63228590  0.81638543  0.04043199
   0.89380305  0.95820747  0.33811084
   0.92902174  0.87800951  0.15755025
   0.67616905  0.86695909  0.23285725
   0.81536167  0.66403059  0.47655661
   0.57776803  0.57518855  0.39165922
   0.61761653  0.61483358  0.57345987
   0.81902171  0.70153451  0.80093289
   0.60880444  0.83995256  0.43575555
   0.92481461  0.96295054  0.82246907
   0.92495737  0.85718844  0.65359874
   0.68240130  0.91433393  0.73662321
   0.78231992  0.61373854  0.98023102
   0.54128779  0.66448812  0.90814940
   0.70465758  0.82794567  0.58630635
   0.50886026  0.84418697  0.43050438
   0.89908165  0.25246298  0.06971383
   0.94075373  0.38799624  0.37556243
   0.29838363  0.13583694  0.61789921
   0.40219967  0.81803816  0.78320112
   0.18582661  1.06526377  0.20343533
   0.21533489  1.05772135  0.01620947
   0.63025866  0.38385919  0.85127949
   0.87335381  0.38397512  0.62310240
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898552    0.015777   -0.088255
    -0.000000    9.795441    0.157795
    -0.000000    0.000000   13.924859
   Si   O    H 
    32    64    10
Direct configuration=  1852
   0.16263559  0.17646273 -0.03826249
   0.35384188  0.07663895  0.37635690
   0.14382283  0.40839815  0.11812434
   0.38837330  0.33010617  0.25626660
   0.09365641  0.17776079  0.49089416
   0.39642734  0.13464524  0.84979335
   0.12422790  0.42957608  0.62108422
   0.37168746  0.38725952  0.74938877
   0.13839939  0.67935441  0.00023055
   0.42029964  0.58569479  0.36598838
   0.08618894  0.90339725  0.13735658
   0.32695175  0.82517854  0.25054644
   0.16305199  0.66086366  0.49321078
   0.38466575  0.63394109  0.86769677
   0.05440805  0.92009190  0.59690116
   0.33457188  1.00083709  0.67012202
   0.62048885  0.13639649  1.00587083
   0.85783940  0.11990564  0.35379818
   0.61554101  0.40037183  0.11677374
   0.88018008  0.30933088  0.16294159
   0.61205694  0.17531159  0.48711773
   0.86798129  0.10361399  0.87304170
   0.58576743  0.45782672  0.60839885
   0.76281114  0.37261901  0.78995803
   0.63013105  0.65912580  0.00357636
   0.90323906  0.60403697  0.37769922
   0.58529322  0.89869532  0.13669143
   0.83843455  0.85959967  0.25241633
   0.65306074  0.68294456  0.46974101
   0.87668899  0.61015830  0.88947187
   0.62272561  0.93296194  0.62113649
   0.84193367  0.86421074  0.75498214
   0.12292118  0.06782158  0.15001430
   0.34940188  0.17472718  0.28033366
   0.15738322  0.31411116  0.02608718
   0.37094220  0.42824415  0.34706120
   0.53863070  0.32637695  0.20715020
   0.28848690  0.38870527  0.17472412
   0.21968486  0.09690888  0.44420471
  -0.01033993  0.20433334  0.40064034
   0.01128244  0.07343339  0.55960465
   0.45984105  0.24179093  0.76955620
   0.14696063  0.32299603  0.52623117
   0.35982918  0.47737372  0.84523719
   0.45010082  0.46486809  0.66503255
   0.21518785  0.38059986  0.71153599
   0.25703176  0.21669090 -0.12962808
   0.01209708  0.15432703  0.92840408
   0.12485265  0.56439910  0.08842032
   0.37019785  0.66909980  0.26835885
   0.12631247  0.83220198  0.04025082
   0.36001711  0.91916479  0.34477256
   0.42448776  0.87955066  0.16477194
   0.16062799  0.81470577  0.23052225
   0.32974652  0.66288688  0.45170829
   0.06661290  0.59690575  0.40315226
   0.16869541  0.57712292  0.59013454
   0.34681497  0.73857460  0.77360304
   0.10118466  0.81641381  0.50953582
   0.36035296  0.99641829  0.78915545
   0.46186842  0.91334883  0.61887984
   0.18581639  0.92793717  0.66257859
   0.28322617  0.66844076 -0.05068759
   0.02073963  0.65726664  0.92467723
   0.62022025  0.06113736  0.10926830
   0.84375939  0.18678745  0.24116973
   0.60080052  0.29640362  0.02897361
   0.86429769  0.44162709  0.38246884
   0.02909177  0.36504464  0.19710595
   0.76812034  0.42604401  0.15233857
   0.72289671  0.14388500  0.40921773
   0.47956182  0.10722718  0.44116645
   0.65170527  0.07989132  0.57499787
   0.82891553  0.21777409  0.79558241
   0.58461686  0.33616734  0.52211100
   0.86802950  0.45274839  0.85407164
   0.96041282  0.42171152  0.64960369
   0.68319739  0.40025133  0.69135866
   0.75521738  0.09157797  0.95191073
   0.49154357  0.09658222  0.93384064
   0.57139713  0.55470837  0.08729710
   0.88102008  0.70752169  0.28950891
   0.63100368  0.81693083  0.04026047
   0.89329316  0.95919811  0.33783552
   0.92762279  0.88007781  0.15669526
   0.67662925  0.86896027  0.23199715
   0.81534612  0.66413518  0.47433672
   0.57587946  0.57572940  0.39140671
   0.61725998  0.61537741  0.57509567
   0.81745767  0.70394970  0.80022055
   0.60713643  0.83987308  0.43449236
   0.92694397  0.96257743  0.82232160
   0.92490396  0.85856221  0.65484934
   0.68262693  0.91607353  0.73697895
   0.78360714  0.61339385  0.97861145
   0.54058769  0.66390102  0.90684559
   0.70163823  0.82216000  0.58921548
   0.51096009  0.84533793  0.43069340
   0.89887757  0.24462936  0.07023158
   0.93658250  0.38128795  0.37234017
   0.30299737  0.14176195  0.62212863
   0.39528844  0.81452409  0.78927844
   0.18588516  1.07278379  0.20207530
   0.21048202  1.06689499  0.01404565
   0.63338072  0.38065657  0.84895860
   0.88011173  0.38990173  0.62018678
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899449    0.013371   -0.086287
    -0.000000    9.797666    0.155977
    -0.000000    0.000000   13.925575
   Si   O    H 
    32    64    10
Direct configuration=  1853
   0.16240348  0.17642185 -0.03820557
   0.35296439  0.07607778  0.37666678
   0.14436398  0.40728819  0.11823226
   0.38797454  0.33052379  0.25749106
   0.09485210  0.17599515  0.49231834
   0.39776860  0.13347452  0.85016050
   0.12335183  0.42963530  0.62107851
   0.37318459  0.38631026  0.74954194
   0.13782603  0.67641267 -0.00050141
   0.42034118  0.58550587  0.36578115
   0.08594814  0.90424379  0.13764725
   0.32649347  0.82330910  0.25081603
   0.16338166  0.65933470  0.49296429
   0.38457008  0.63300548  0.86875170
   0.05382180  0.92043063  0.59631231
   0.33343746  0.99956997  0.67070646
   0.61964687  0.13796995  1.00634336
   0.85804817  0.11935435  0.35450012
   0.61322105  0.39881465  0.11659642
   0.88016831  0.31022193  0.16377484
   0.61227080  0.17426505  0.48669128
   0.86712824  0.10354011  0.87336232
   0.58562464  0.45723525  0.60848768
   0.76321793  0.37353494  0.79029403
   0.63027139  0.65877564  0.00422251
   0.90317154  0.60442025  0.37682481
   0.58586954  0.89909913  0.13595574
   0.83791621  0.86091713  0.25172981
   0.65301353  0.68290410  0.46968103
   0.87528850  0.60950973  0.88886668
   0.62124917  0.93254405  0.62038720
   0.84143714  0.86370783  0.75433863
   0.12226970  0.06666230  0.15129911
   0.34923084  0.17290531  0.28002778
   0.15746881  0.31674522  0.02548695
   0.37309498  0.42895144  0.34782039
   0.53706921  0.32778374  0.20645935
   0.28745661  0.38832591  0.17586863
   0.22145749  0.09619104  0.44514360
  -0.01115314  0.20450926  0.40097241
   0.00984860  0.07129816  0.56021157
   0.46238500  0.24072604  0.76897065
   0.14667941  0.32360965  0.52665385
   0.35919226  0.47531327  0.84549132
   0.45041788  0.46360799  0.66524556
   0.21652381  0.38186554  0.71099505
   0.25474996  0.21567486 -0.12978877
   0.01513780  0.15461174  0.92781009
   0.12413062  0.56532246  0.08671911
   0.36945813  0.66917203  0.26790376
   0.12652463  0.83113775  0.03934224
   0.35952948  0.91789812  0.34447342
   0.42537869  0.87975700  0.16499229
   0.16006482  0.81505224  0.23095687
   0.32720901  0.66374999  0.45011788
   0.06789434  0.59652795  0.40389376
   0.16769445  0.57599483  0.58946361
   0.34475429  0.73718144  0.77263353
   0.10048969  0.81541052  0.50955383
   0.36297640  0.99585864  0.78859677
   0.46136318  0.91214686  0.61803633
   0.18443586  0.92605273  0.66310485
   0.28373474  0.66786242 -0.05059367
   0.02162079  0.65925181  0.92386140
   0.62112089  0.06145247  0.10943107
   0.84267234  0.18577143  0.24169214
   0.60341952  0.29663238  0.02917766
   0.86359150  0.43993123  0.38244006
   0.02690597  0.36417668  0.19641944
   0.76841148  0.42725349  0.15369522
   0.72378837  0.14472384  0.40858765
   0.47824490  0.10525054  0.44227461
   0.65288389  0.07972449  0.57485648
   0.82798175  0.21638394  0.79704537
   0.58528964  0.33642561  0.52136953
   0.86742751  0.45360585  0.85296669
   0.95963313  0.42277744  0.65009041
   0.68390736  0.40033254  0.69131809
   0.75414010  0.09140114  0.95256492
   0.49168516  0.09727361  0.93293406
   0.56947971  0.55573269  0.08637940
   0.88091861  0.70600791  0.28990758
   0.62908823  0.81643581  0.04010969
   0.89384117  0.95992078  0.33765076
   0.92655278  0.88210899  0.15633155
   0.67735908  0.87071584  0.23143217
   0.81610978  0.66376461  0.47251162
   0.57516451  0.57671752  0.39189926
   0.61666451  0.61545665  0.57637967
   0.81663671  0.70624935  0.79910374
   0.60603760  0.83949030  0.43353770
   0.92833449  0.96301683  0.82291125
   0.92470550  0.85976112  0.65568780
   0.68289046  0.91757677  0.73756409
   0.78422856  0.61297700  0.97788982
   0.53907747  0.66270218  0.90517798
   0.70063391  0.81485671  0.58963884
   0.50743925  0.84847029  0.42978951
   0.89866027  0.23809105  0.06913418
   0.93901700  0.37163994  0.36910377
   0.30965593  0.14298586  0.62817086
   0.39353315  0.82843497  0.79543806
   0.18821525  1.08420603  0.20515099
   0.21124466  1.06549847  0.01640427
   0.64285658  0.37531415  0.84721277
   0.88262611  0.39022232  0.61392617
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900358    0.011657   -0.084478
    -0.000000    9.800272    0.154329
    -0.000000    0.000000   13.925927
   Si   O    H 
    32    64    10
Direct configuration=  1854
   0.16264827  0.17622769 -0.03786754
   0.35246935  0.07526147  0.37702864
   0.14512174  0.40613678  0.11850402
   0.38782989  0.33151631  0.25843185
   0.09555493  0.17456711  0.49322077
   0.39836623  0.13265037  0.85035436
   0.12222120  0.42871453  0.62113563
   0.37481910  0.38483947  0.74991907
   0.13698520  0.67402965 -0.00166064
   0.41981842  0.58579610  0.36531299
   0.08541284  0.90511395  0.13783026
   0.32652146  0.82101651  0.25103273
   0.16417499  0.65791110  0.49287043
   0.38523163  0.63278936  0.86950264
   0.05341201  0.92005138  0.59604295
   0.33245960  0.99839921  0.67146869
   0.61868088  0.13921846  1.00624985
   0.85831044  0.11921786  0.35499009
   0.61084239  0.39785689  0.11623945
   0.87984222  0.31061663  0.16467351
   0.61200829  0.17348165  0.48648202
   0.86652299  0.10327483  0.87332804
   0.58599049  0.45627603  0.60824090
   0.76251624  0.37388913  0.79087695
   0.63013814  0.65890994  0.00432581
   0.90365923  0.60455362  0.37648836
   0.58621486  0.89981962  0.13561354
   0.83810102  0.86176434  0.25139677
   0.65303605  0.68253822  0.46921626
   0.87411716  0.60890538  0.88781186
   0.62022704  0.93207320  0.61990977
   0.84067776  0.86332386  0.75389628
   0.12184780  0.06579609  0.15319800
   0.34911427  0.17162922  0.27977636
   0.15793139  0.31915849  0.02417036
   0.37516725  0.42898980  0.34828735
   0.53537594  0.32881355  0.20614608
   0.28732599  0.38822617  0.17693401
   0.22340052  0.09546561  0.44586844
  -0.01236905  0.20379252  0.40143675
   0.00882395  0.06925405  0.56035528
   0.46476608  0.24032170  0.76857590
   0.14611103  0.32410204  0.52752294
   0.35893152  0.47355575  0.84604175
   0.45001417  0.46255057  0.66567789
   0.21766555  0.38257962  0.71069195
   0.25306524  0.21519237 -0.12975601
   0.01738821  0.15473517  0.92731717
   0.12416201  0.56652394  0.08529151
   0.36889917  0.66890361  0.26741655
   0.12688715  0.83019669  0.03826754
   0.35881383  0.91588024  0.34398442
   0.42653981  0.87977372  0.16542952
   0.15973688  0.81535715  0.23146510
   0.32479400  0.66473656  0.44866927
   0.06901235  0.59623590  0.40431454
   0.16648056  0.57475004  0.58855576
   0.34400651  0.73611268  0.77265633
   0.09958382  0.81489898  0.51043887
   0.36513957  0.99512765  0.78779924
   0.46030856  0.91102298  0.61740111
   0.18403774  0.92454667  0.66322058
   0.28403745  0.66764405 -0.04993685
   0.02270179  0.66074880  0.92322106
   0.62089754  0.06181811  0.10922341
   0.84137300  0.18539783  0.24257295
   0.60625901  0.29666426  0.02924124
   0.86264442  0.43834764  0.38219239
   0.02504186  0.36371560  0.19593510
   0.76826549  0.42944683  0.15477776
   0.72493060  0.14494574  0.40794907
   0.47627888  0.10395109  0.44351841
   0.65446773  0.07896890  0.57495717
   0.82677666  0.21542848  0.79827993
   0.58526243  0.33715951  0.52097936
   0.86776885  0.45460959  0.85215900
   0.95968076  0.42303894  0.65051861
   0.68515700  0.40058323  0.69101696
   0.75291976  0.09130429  0.95300621
   0.49229245  0.09715406  0.93293366
   0.56763534  0.55636750  0.08522800
   0.87982291  0.70483936  0.29041190
   0.62760919  0.81575397  0.04054319
   0.89380302  0.95980043  0.33711767
   0.92589914  0.88415382  0.15618676
   0.67810687  0.87214674  0.23062036
   0.81664719  0.66312526  0.47142531
   0.57541938  0.57718253  0.39248145
   0.61618778  0.61548807  0.57708592
   0.81606239  0.70899507  0.79820472
   0.60483106  0.83892915  0.43280356
   0.92916897  0.96325114  0.82375187
   0.92471090  0.86128442  0.65637855
   0.68343614  0.91964600  0.73784929
   0.78443257  0.61185464  0.97755191
   0.53882174  0.66158634  0.90352657
   0.70187284  0.81004871  0.58966541
   0.50435498  0.84866657  0.42965472
   0.90007934  0.23158119  0.06983909
   0.93507436  0.36693537  0.36637773
   0.31629266  0.14079818  0.63502542
   0.38501134  0.82968274  0.79575524
   0.18844041  1.09441629  0.20636097
   0.21230981  1.05875179  0.01824738
   0.65085799  0.37090332  0.84748035
   0.88541275  0.39177857  0.60592741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901410    0.009841   -0.082898
    -0.000000    9.802791    0.152548
    -0.000000    0.000000   13.926275
   Si   O    H 
    32    64    10
Direct configuration=  1855
   0.16351507  0.17664345 -0.03758066
   0.35199907  0.07460197  0.37714652
   0.14551396  0.40527472  0.11817530
   0.38787532  0.33248143  0.25939567
   0.09607469  0.17342640  0.49392808
   0.39833745  0.13249216  0.85013623
   0.12114104  0.42751338  0.62051806
   0.37613694  0.38314068  0.75055160
   0.13633594  0.67174016 -0.00255914
   0.41871382  0.58619426  0.36451888
   0.08483461  0.90538763  0.13818026
   0.32653496  0.81960798  0.25133502
   0.16450792  0.65729880  0.49231353
   0.38591578  0.63256263  0.86969464
   0.05279182  0.91944398  0.59587854
   0.33117827  0.99665977  0.67175804
   0.61822445  0.14103636  1.00578490
   0.85904650  0.11967067  0.35504286
   0.60861837  0.39755112  0.11636427
   0.88011282  0.31054725  0.16503176
   0.61134455  0.17338017  0.48609258
   0.86598978  0.10317730  0.87315048
   0.58684270  0.45527874  0.60781385
   0.76135704  0.37387542  0.79149974
   0.63008348  0.65880760  0.00456782
   0.90378419  0.60467307  0.37622248
   0.58668905  0.90073071  0.13525736
   0.83926107  0.86273068  0.25090263
   0.65258277  0.68205971  0.46864679
   0.87379794  0.60880489  0.88663646
   0.61928934  0.93110620  0.61981149
   0.84020803  0.86304539  0.75382461
   0.12187749  0.06507731  0.15475958
   0.34875760  0.17032884  0.27933907
   0.15778093  0.32161528  0.02320674
   0.37648315  0.42838183  0.34877968
   0.53363186  0.32956933  0.20598517
   0.28787421  0.38858128  0.17754804
   0.22407590  0.09509437  0.44672334
  -0.01416586  0.20238215  0.40175460
   0.00747046  0.06775158  0.56002246
   0.46652112  0.24029168  0.76876479
   0.14471911  0.32488874  0.52780669
   0.35886391  0.47253343  0.84698052
   0.44977777  0.46252245  0.66582225
   0.21842210  0.38244743  0.71070211
   0.25119806  0.21428081 -0.12994550
   0.01753643  0.15435510  0.92723901
   0.12458453  0.56690449  0.08351427
   0.36893393  0.66813604  0.26638609
   0.12642289  0.82938959  0.03756363
   0.35769347  0.91391429  0.34335872
   0.42763007  0.87991487  0.16632476
   0.15934930  0.81658516  0.23180404
   0.32318056  0.66500258  0.44724641
   0.06904090  0.59604842  0.40412292
   0.16610041  0.57397558  0.58769181
   0.34370491  0.73488294  0.77348368
   0.09888164  0.81443250  0.51153210
   0.36700895  0.99458542  0.78649410
   0.45794562  0.91103542  0.61738604
   0.18476102  0.92337774  0.66393909
   0.28388566  0.66752058 -0.04936550
   0.02382381  0.66253082  0.92226201
   0.62017680  0.06222616  0.10869763
   0.84114794  0.18496423  0.24316023
   0.60879508  0.29639015  0.02948823
   0.86189574  0.43598401  0.38200708
   0.02408576  0.36299645  0.19521830
   0.76792876  0.43145689  0.15579913
   0.72557039  0.14488993  0.40741930
   0.47489939  0.10319630  0.44459403
   0.65612366  0.07847356  0.57511761
   0.82503263  0.21516422  0.79867247
   0.58509547  0.33801235  0.52039883
   0.86762332  0.45561876  0.85123303
   0.95935217  0.42370576  0.65096640
   0.68662215  0.40097019  0.69102346
   0.75166874  0.09133053  0.95341731
   0.49432816  0.09701404  0.93373695
   0.56626960  0.55747425  0.08388430
   0.87903637  0.70455780  0.29060302
   0.62601334  0.81466103  0.04127984
   0.89285361  0.95927219  0.33683214
   0.92602500  0.88624677  0.15670620
   0.67876407  0.87303524  0.22907241
   0.81705687  0.66294018  0.47016103
   0.57711031  0.57755272  0.39331752
   0.61634927  0.61542248  0.57839235
   0.81498949  0.71144371  0.79801686
   0.60401215  0.83876683  0.43245075
   0.92919700  0.96406367  0.82447226
   0.92511759  0.86186912  0.65695460
   0.68335579  0.92258686  0.73779189
   0.78454071  0.61140233  0.97785924
   0.53875110  0.66083843  0.90175832
   0.70210725  0.81158295  0.59070762
   0.50437417  0.84954632  0.43109363
   0.89772691  0.22919498  0.07130204
   0.92515937  0.36986770  0.36515166
   0.32480282  0.13951199  0.64289496
   0.37265697  0.82448180  0.79024524
   0.18479470  1.10344652  0.20347739
   0.21823463  1.05468448  0.01950491
   0.65161409  0.36437612  0.85180583
   0.88966176  0.39575677  0.60159655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902627    0.008853   -0.081904
    -0.000000    9.804837    0.150409
    -0.000000    0.000000   13.926614
   Si   O    H 
    32    64    10
Direct configuration=  1856
   0.16492713  0.17734013 -0.03730633
   0.35146601  0.07333402  0.37721436
   0.14543581  0.40401045  0.11822673
   0.38796305  0.33365690  0.26029643
   0.09691073  0.17215927  0.49423044
   0.39802603  0.13252413  0.84933823
   0.11981551  0.42577398  0.62012307
   0.37719379  0.38169469  0.75102172
   0.13593568  0.66925507 -0.00326030
   0.41769200  0.58660084  0.36383639
   0.08477040  0.90505670  0.13864390
   0.32659735  0.81869674  0.25148437
   0.16474787  0.65675985  0.49119905
   0.38670414  0.63232051  0.86999092
   0.05251914  0.91894034  0.59617828
   0.33022592  0.99489521  0.67220163
   0.61805061  0.14215185  1.00552982
   0.86000752  0.12017776  0.35396043
   0.60617322  0.39779200  0.11667044
   0.88039134  0.31022955  0.16541906
   0.61046489  0.17352655  0.48569765
   0.86562793  0.10330477  0.87279331
   0.58753058  0.45447164  0.60806663
   0.75971054  0.37349525  0.79208623
   0.62961879  0.65847875  0.00434384
   0.90452987  0.60377346  0.37634793
   0.58647679  0.90159071  0.13451323
   0.84073573  0.86369487  0.25067906
   0.65271454  0.68126101  0.46832581
   0.87340521  0.60869437  0.88545669
   0.61850857  0.92990680  0.61968994
   0.83989728  0.86282377  0.75392709
   0.12181450  0.06465379  0.15603904
   0.34834681  0.16905611  0.27912012
   0.15799858  0.32345298  0.02166541
   0.37796922  0.42804799  0.34972606
   0.53248527  0.32971169  0.20591270
   0.28870375  0.38809555  0.17820342
   0.22446237  0.09496326  0.44862559
  -0.01585813  0.20144013  0.40225341
   0.00581119  0.06708056  0.55930279
   0.46860728  0.24036996  0.76939852
   0.14248233  0.32633382  0.52832831
   0.35927139  0.47182199  0.84829537
   0.44983317  0.46354308  0.66575002
   0.21944269  0.38184933  0.71129810
   0.24998464  0.21265162 -0.13027053
   0.01606874  0.15452926  0.92717967
   0.12497545  0.56739655  0.08272018
   0.36951092  0.66706913  0.26582584
   0.12606744  0.82935504  0.03681144
   0.35606348  0.91246203  0.34309785
   0.42913087  0.87992433  0.16667510
   0.15949311  0.81838547  0.23171758
   0.32208281  0.66553490  0.44596597
   0.06899779  0.59535601  0.40398777
   0.16543054  0.57295969  0.58756991
   0.34379931  0.73227165  0.77452224
   0.09802385  0.81390573  0.51264476
   0.36953593  0.99501638  0.78584784
   0.45498247  0.91090710  0.61721876
   0.18572537  0.92284392  0.66523855
   0.28353317  0.66730776 -0.04891274
   0.02365681  0.66412136  0.92124374
   0.61924489  0.06171495  0.10801162
   0.84121152  0.18408914  0.24382561
   0.61079756  0.29682113  0.02929648
   0.86104568  0.43504117  0.38160917
   0.02333173  0.36240595  0.19418230
   0.76771375  0.43298673  0.15693328
   0.72505375  0.14406535  0.40722029
   0.47471379  0.10274443  0.44558187
   0.65734475  0.07800435  0.57552043
   0.82430042  0.21504008  0.79820892
   0.58442010  0.33818270  0.51966165
   0.86817970  0.45662242  0.85022013
   0.95879050  0.42479682  0.65123930
   0.68832283  0.40170165  0.69081435
   0.75063846  0.09146962  0.95336821
   0.49641051  0.09752189  0.93512465
   0.56504600  0.55877780  0.08259585
   0.87802607  0.70502011  0.29053196
   0.62432594  0.81340403  0.04185208
   0.89230792  0.95787358  0.33686751
   0.92647839  0.88789717  0.15755342
   0.67966406  0.87396036  0.22761440
   0.81763462  0.66332573  0.46846353
   0.57941040  0.57786203  0.39468561
   0.61616343  0.61585893  0.57951671
   0.81438199  0.71317872  0.79848124
   0.60330926  0.83823738  0.43274861
   0.92961248  0.96489221  0.82517495
   0.92597178  0.86265807  0.65780908
   0.68301613  0.92497229  0.73725730
   0.78500230  0.61066535  0.97882919
   0.53940802  0.66053104  0.90043955
   0.69839417  0.81845945  0.59157957
   0.50645604  0.84654750  0.43168593
   0.89233244  0.22967603  0.07287173
   0.92327856  0.36453192  0.36269352
   0.32966199  0.13634913  0.64708574
   0.36120544  0.82282080  0.78509301
   0.18079708  1.11232397  0.19952243
   0.22401325  1.05300510  0.01783818
   0.64652872  0.35963760  0.85901971
   0.89810992  0.39783225  0.60112791
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903910    0.007952   -0.080532
    -0.000000    9.806505    0.148183
    -0.000000    0.000000   13.927042
   Si   O    H 
    32    64    10
Direct configuration=  1857
   0.16603357  0.17779132 -0.03657611
   0.35072098  0.07226009  0.37725946
   0.14524280  0.40301983  0.11859245
   0.38758879  0.33467797  0.26070889
   0.09785475  0.17144091  0.49444740
   0.39721322  0.13275378  0.84834961
   0.11876802  0.42371662  0.62008822
   0.37864489  0.38057454  0.75093036
   0.13545864  0.66752771 -0.00395734
   0.41657151  0.58723431  0.36330001
   0.08480794  0.90489145  0.13950237
   0.32684215  0.81758263  0.25141999
   0.16470106  0.65630855  0.48949552
   0.38692919  0.63246735  0.87016124
   0.05224332  0.91798142  0.59644266
   0.32911026  0.99290451  0.67240465
   0.61832057  0.14323246  1.00507298
   0.86097496  0.12077572  0.35279869
   0.60484999  0.39875673  0.11682142
   0.88027042  0.30968640  0.16567437
   0.60968604  0.17382204  0.48506807
   0.86585879  0.10306082  0.87266138
   0.58796017  0.45345780  0.60823136
   0.75784828  0.37270984  0.79252040
   0.62931823  0.65840320  0.00362399
   0.90543753  0.60263272  0.37732543
   0.58650961  0.90257437  0.13389674
   0.84162808  0.86422557  0.25051537
   0.65263843  0.68035894  0.46794949
   0.87297523  0.60897196  0.88437935
   0.61819203  0.92866293  0.62006242
   0.83912233  0.86273456  0.75426292
   0.12179762  0.06407546  0.15707766
   0.34786681  0.16813147  0.27923827
   0.15834515  0.32470673  0.02004638
   0.38047553  0.42781875  0.35121377
   0.53180061  0.33010352  0.20638668
   0.28874104  0.38737632  0.17816309
   0.22533683  0.09510104  0.45067256
  -0.01648536  0.20105226  0.40279518
   0.00453537  0.06700671  0.55829807
   0.47038076  0.24005210  0.77008505
   0.14091184  0.32700791  0.52904489
   0.35983247  0.47105852  0.84972900
   0.44967675  0.46476260  0.66643530
   0.22073297  0.38077709  0.71124954
   0.24988448  0.21064823 -0.13113806
   0.01314603  0.15420020  0.92634185
   0.12492291  0.56748386  0.08220338
   0.37123452  0.66532820  0.26476962
   0.12638823  0.82965324  0.03649375
   0.35533565  0.91173626  0.34304543
   0.43138233  0.87994190  0.16670964
   0.15991770  0.81988881  0.23123896
   0.32075399  0.66607564  0.44459283
   0.06920112  0.59464746  0.40338797
   0.16560247  0.57200552  0.58743981
   0.34310583  0.72894729  0.77611129
   0.09782699  0.81336021  0.51419434
   0.37177867  0.99524655  0.78533942
   0.45218040  0.91033363  0.61709243
   0.18688946  0.92247442  0.66643457
   0.28326026  0.66691485 -0.04847077
   0.02339892  0.66539974  0.91967762
   0.61814809  0.06079974  0.10660982
   0.84107065  0.18364504  0.24426105
   0.61292841  0.29779288  0.02862523
   0.86013246  0.43414149  0.38122053
   0.02305582  0.36179901  0.19288924
   0.76777579  0.43440788  0.15857481
   0.72429557  0.14441757  0.40714172
   0.47531410  0.10248168  0.44631829
   0.65945679  0.07766686  0.57522758
   0.82394665  0.21495241  0.79698105
   0.58478514  0.33833187  0.51865600
   0.86923902  0.45751963  0.84950384
   0.95871626  0.42575858  0.65155416
   0.69032600  0.40219827  0.69069180
   0.74938827  0.09152011  0.95307594
   0.49831727  0.09786767  0.93672780
   0.56382622  0.55965950  0.08172551
   0.87687770  0.70553219  0.29047320
   0.62193434  0.81287602  0.04209361
   0.89137355  0.95720565  0.33693601
   0.92705444  0.88898962  0.15814745
   0.68043592  0.87475887  0.22650318
   0.81779098  0.66396119  0.46620396
   0.58161440  0.57784630  0.39549264
   0.61612573  0.61661701  0.57991236
   0.81422323  0.71455218  0.79896398
   0.60350168  0.83692986  0.43328309
   0.92969348  0.96513404  0.82572413
   0.92657638  0.86338770  0.65838045
   0.68257249  0.92714389  0.73695812
   0.78464439  0.61108704  0.97977646
   0.54080803  0.66028144  0.89970862
   0.69811381  0.82260251  0.59195968
   0.50507827  0.84492427  0.43167153
   0.88623771  0.23528110  0.07524390
   0.92309450  0.36255590  0.36024044
   0.33368491  0.13800868  0.64895145
   0.35724679  0.83308701  0.78137552
   0.18057976  1.12033651  0.19978378
   0.23030419  1.05243217  0.01284139
   0.64417721  0.35685252  0.86701963
   0.90114089  0.39648627  0.59859661
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905486    0.007020   -0.078684
    -0.000000    9.808169    0.146373
    -0.000000    0.000000   13.927521
   Si   O    H 
    32    64    10
Direct configuration=  1858
   0.16728742  0.17833821 -0.03599388
   0.35053402  0.07145890  0.37758418
   0.14552599  0.40231949  0.11918673
   0.38664160  0.33497639  0.26120573
   0.09852600  0.17090559  0.49426893
   0.39624515  0.13326445  0.84723908
   0.11861120  0.42091623  0.61988906
   0.37947676  0.37977240  0.75095436
   0.13568710  0.66630369 -0.00466278
   0.41522378  0.58763222  0.36308757
   0.08481979  0.90444331  0.14000888
   0.32608063  0.81665607  0.25061831
   0.16448297  0.65578856  0.48770186
   0.38694101  0.63315426  0.86988086
   0.05213865  0.91690399  0.59647128
   0.32827359  0.99127410  0.67281533
   0.61876691  0.14398450  1.00420531
   0.86197702  0.12111710  0.35176578
   0.60434256  0.40060718  0.11725424
   0.87931575  0.30871720  0.16604738
   0.60965732  0.17413051  0.48479114
   0.86677697  0.10305378  0.87293317
   0.58798146  0.45254492  0.60827075
   0.75600065  0.37161372  0.79323712
   0.62893615  0.65779710  0.00277337
   0.90649403  0.60158018  0.37771446
   0.58690344  0.90400150  0.13298181
   0.84306907  0.86415912  0.25058502
   0.65295776  0.67956431  0.46806605
   0.87297583  0.60971137  0.88332002
   0.61746214  0.92808601  0.62053578
   0.83853236  0.86312405  0.75440520
   0.12167665  0.06374746  0.15772991
   0.34744696  0.16757599  0.27908314
   0.15858987  0.32505563  0.01843555
   0.38223512  0.42709487  0.35228194
   0.53108622  0.33009451  0.20731348
   0.28851758  0.38610362  0.17807663
   0.22647858  0.09590828  0.45238406
  -0.01624337  0.20008164  0.40383206
   0.00264424  0.06630774  0.55813135
   0.47145747  0.23999494  0.77076662
   0.13910684  0.32736792  0.52943775
   0.36002344  0.47003031  0.85092152
   0.44990551  0.46531329  0.66661905
   0.22059762  0.37980293  0.71093737
   0.25064574  0.20875474 -0.13246876
   0.00983013  0.15326498  0.92577786
   0.12371197  0.56650121  0.08231695
   0.37336562  0.66328106  0.26410386
   0.12598883  0.83031054  0.03638424
   0.35432498  0.91144028  0.34328762
   0.43337078  0.87942050  0.16731072
   0.16188454  0.82172613  0.23053715
   0.31856412  0.66685229  0.44392484
   0.06999285  0.59446884  0.40218761
   0.16472198  0.57116798  0.58807482
   0.34250402  0.72630880  0.77770759
   0.09875793  0.81220759  0.51550751
   0.37323793  0.99538876  0.78536648
   0.44944070  0.90963089  0.61762318
   0.18788843  0.92296704  0.66706050
   0.28296785  0.66730282 -0.04817080
   0.02232582  0.66600429  0.91782637
   0.61590822  0.05974142  0.10505209
   0.84047206  0.18394629  0.24467690
   0.61474928  0.29902111  0.02756499
   0.85964548  0.43399889  0.38059714
   0.02303368  0.36175254  0.19149895
   0.76717843  0.43548873  0.15944923
   0.72291314  0.14501637  0.40730514
   0.47716090  0.10261804  0.44726423
   0.66145223  0.07774332  0.57486568
   0.82391142  0.21521275  0.79560496
   0.58498794  0.33763855  0.51753478
   0.87033535  0.45776149  0.84888227
   0.95921233  0.42689114  0.65191044
   0.69196572  0.40339972  0.69039415
   0.74797038  0.09119870  0.95281936
   0.50031656  0.09780949  0.93813045
   0.56292310  0.56028408  0.08072982
   0.87622709  0.70538189  0.29041590
   0.62065681  0.81165911  0.04196123
   0.89031078  0.95705559  0.33772915
   0.92752547  0.89056068  0.15801904
   0.68159138  0.87439308  0.22580059
   0.81664914  0.66368843  0.46349738
   0.58297443  0.57832907  0.39610258
   0.61631462  0.61756126  0.57994151
   0.81389466  0.71541403  0.79907454
   0.60386198  0.83505579  0.43419989
   0.92872427  0.96490716  0.82556578
   0.92707609  0.86379847  0.65888470
   0.68255835  0.92893934  0.73604748
   0.78342238  0.61170384  0.98083752
   0.54226787  0.66074195  0.89982206
   0.69908645  0.82302838  0.58984128
   0.50280884  0.84818371  0.43088547
   0.88016760  0.24343362  0.07767027
   0.92459309  0.36250856  0.35881967
   0.33578610  0.13883620  0.64936156
   0.35660896  0.83618763  0.78066139
   0.17831877  1.12288458  0.19806479
   0.23929710  1.05546194  0.00523235
   0.64316120  0.35450821  0.87067911
   0.90048268  0.39762558  0.59703703
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907234    0.006436   -0.076911
    -0.000000    9.809414    0.144288
    -0.000000    0.000000   13.927869
   Si   O    H 
    32    64    10
Direct configuration=  1859
   0.16853955  0.17981511 -0.03574149
   0.35099159  0.07043442  0.37800019
   0.14608299  0.40139475  0.11928599
   0.38629022  0.33449693  0.26118031
   0.09824710  0.17087803  0.49335509
   0.39557807  0.13408005  0.84631714
   0.11846233  0.41865886  0.61970392
   0.37960108  0.37911494  0.75134436
   0.13644955  0.66551249 -0.00477462
   0.41406832  0.58779846  0.36293279
   0.08500511  0.90414272  0.14037079
   0.32529199  0.81646860  0.25017880
   0.16416262  0.65602764  0.48651001
   0.38719734  0.63393426  0.86908769
   0.05227221  0.91538391  0.59639927
   0.32792313  0.98914068  0.67341915
   0.61880728  0.14432219  1.00349612
   0.86247823  0.12170232  0.35059091
   0.60421086  0.40241777  0.11788125
   0.87828289  0.30736227  0.16652026
   0.61003272  0.17449219  0.48449480
   0.86822596  0.10301144  0.87337164
   0.58794023  0.45177851  0.60798017
   0.75403218  0.37003164  0.79406264
   0.62890044  0.65734506  0.00188142
   0.90710259  0.60033227  0.37838136
   0.58795079  0.90534267  0.13206107
   0.84410881  0.86379227  0.25058955
   0.65301844  0.67875841  0.46869644
   0.87358970  0.61038252  0.88266595
   0.61701840  0.92772797  0.62095751
   0.83767792  0.86314491  0.75464177
   0.12146976  0.06373042  0.15774746
   0.34755620  0.16782439  0.27869118
   0.15876210  0.32492055  0.01736613
   0.38368430  0.42574433  0.35381681
   0.53127487  0.33045770  0.20865064
   0.28763812  0.38484029  0.17747797
   0.22690044  0.09715916  0.45431516
  -0.01577793  0.19909950  0.40452215
   0.00105044  0.06589479  0.55803795
   0.47192595  0.23948788  0.77138889
   0.13762901  0.32747310  0.52990675
   0.36086236  0.46815101  0.85183461
   0.44997387  0.46630598  0.66661891
   0.22059924  0.37877960  0.71045278
   0.25110800  0.20677506 -0.13395090
   0.00720086  0.15329145  0.92508492
   0.12194284  0.56496564  0.08292338
   0.37540464  0.66105417  0.26390916
   0.12488281  0.83174758  0.03680920
   0.35381062  0.91182510  0.34439418
   0.43453506  0.87879781  0.16820050
   0.16400713  0.82376348  0.23025385
   0.31643067  0.66655420  0.44324183
   0.07057092  0.59400924  0.40099517
   0.16408004  0.57084620  0.58843920
   0.34215001  0.72369666  0.77892718
   0.09976793  0.81086489  0.51608800
   0.37426815  0.99554109  0.78544611
   0.44704311  0.90875754  0.61869613
   0.18780416  0.92302429  0.66816298
   0.28239149  0.66751561 -0.04808394
   0.02047963  0.66614058  0.91585128
   0.61372726  0.05844466  0.10346730
   0.84010957  0.18427502  0.24538476
   0.61697790  0.30013379  0.02647655
   0.85881432  0.43400761  0.37991664
   0.02285005  0.36229165  0.19098314
   0.76692417  0.43567954  0.15978736
   0.72154643  0.14560264  0.40753790
   0.47862778  0.10266784  0.44799800
   0.66308196  0.07815016  0.57470224
   0.82341856  0.21528268  0.79473924
   0.58562376  0.33695112  0.51642359
   0.87063153  0.45677566  0.84843080
   0.96011759  0.42788446  0.65245267
   0.69279597  0.40445533  0.69016537
   0.74798638  0.09042962  0.95240374
   0.50104210  0.09748040  0.93942734
   0.56207316  0.56045928  0.08007212
   0.87597357  0.70555174  0.28992612
   0.61881853  0.80975995  0.04187516
   0.88894718  0.95688583  0.33872999
   0.92711241  0.89243202  0.15725648
   0.68252433  0.87401868  0.22554577
   0.81579835  0.66386803  0.46145224
   0.58353308  0.57816433  0.39629764
   0.61599689  0.61908031  0.58035282
   0.81352271  0.71595128  0.79894332
   0.60465202  0.83274168  0.43494137
   0.92747973  0.96408909  0.82601407
   0.92783275  0.86431606  0.65859070
   0.68236399  0.93016143  0.73464854
   0.78135316  0.61222486  0.98213022
   0.54322918  0.66167235  0.90062957
   0.70118014  0.81993539  0.58762707
   0.50682536  0.84761611  0.43080713
   0.87509817  0.25084180  0.07787959
   0.92648208  0.36595132  0.35912372
   0.33944303  0.14013426  0.65121457
   0.35879985  0.82414200  0.78271705
   0.17290744  1.12155507  0.19549340
   0.24583889  1.06127737  0.00172945
   0.64221083  0.35549831  0.87033368
   0.89910288  0.39676902  0.59901281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908420    0.005828   -0.075257
    -0.000000    9.810712    0.142205
    -0.000000    0.000000   13.928093
   Si   O    H 
    32    64    10
Direct configuration=  1860
   0.16912522  0.18046487 -0.03589751
   0.35149999  0.06971461  0.37811667
   0.14677017  0.40109713  0.11918438
   0.38635879  0.33348426  0.26083065
   0.09728631  0.17046511  0.49253941
   0.39515178  0.13485774  0.84579526
   0.11782849  0.41731541  0.61990302
   0.37955238  0.37882792  0.75183192
   0.13708331  0.66563491 -0.00483741
   0.41341577  0.58830805  0.36261825
   0.08520490  0.90383988  0.14032287
   0.32533206  0.81634052  0.24934489
   0.16346244  0.65624741  0.48570463
   0.38762431  0.63459746  0.86856472
   0.05209898  0.91354770  0.59622913
   0.32741678  0.98790403  0.67414665
   0.61944341  0.14473972  1.00279172
   0.86282042  0.12205502  0.34960797
   0.60483016  0.40448287  0.11852143
   0.87748531  0.30624296  0.16745519
   0.61065066  0.17498081  0.48381846
   0.86965695  0.10384776  0.87413075
   0.58787718  0.45081280  0.60708703
   0.75152336  0.36819443  0.79476202
   0.62876750  0.65696470  0.00124727
   0.90698327  0.59902928  0.37863446
   0.58905340  0.90611210  0.13137655
   0.84499572  0.86242774  0.25080645
   0.65259288  0.67810527  0.46944958
   0.87410859  0.61189696  0.88274734
   0.61689161  0.92819979  0.62164826
   0.83740602  0.86329440  0.75523674
   0.11983322  0.06389024  0.15742404
   0.34781768  0.16788870  0.27861334
   0.15906474  0.32413725  0.01607958
   0.38396424  0.42460343  0.35551567
   0.53119941  0.33049049  0.21008180
   0.28629089  0.38378020  0.17719999
   0.22756622  0.09803580  0.45662983
  -0.01466460  0.19837455  0.40445017
  -0.00108381  0.06565950  0.55813838
   0.47286152  0.23885100  0.77224662
   0.13560558  0.32666356  0.53002481
   0.36122118  0.46636371  0.85240576
   0.44915058  0.46659088  0.66669689
   0.22008355  0.37774300  0.71063789
   0.25274443  0.20578832 -0.13557951
   0.00539696  0.15347400  0.92502209
   0.12148170  0.56271609  0.08310197
   0.37779753  0.65857773  0.26349233
   0.12333281  0.83390753  0.03707415
   0.35289051  0.91177297  0.34554948
   0.43545533  0.87848310  0.16917554
   0.16564815  0.82525872  0.22992468
   0.31530780  0.66645589  0.44216761
   0.07147788  0.59291669  0.39956755
   0.16386170  0.57063506  0.58780495
   0.34199598  0.72137296  0.77915975
   0.10100908  0.80830191  0.51674696
   0.37488529  0.99605559  0.78511668
   0.44519162  0.90793433  0.61951884
   0.18740788  0.92368818  0.66938573
   0.28173304  0.66736654 -0.04717104
   0.01838433  0.66637168  0.91374713
   0.61189090  0.05738045  0.10177194
   0.84068222  0.18445110  0.24549300
   0.61858026  0.30141205  0.02551013
   0.85773886  0.43450659  0.37936537
   0.02397648  0.36236256  0.18999193
   0.76605885  0.43531903  0.15970374
   0.72084869  0.14629356  0.40749965
   0.47971762  0.10284186  0.44831942
   0.66370289  0.07784935  0.57432347
   0.82316046  0.21498124  0.79442736
   0.58605364  0.33640006  0.51535393
   0.87143539  0.45547340  0.84761998
   0.96080677  0.42851445  0.65253945
   0.69417402  0.40529123  0.68944559
   0.74840383  0.08884704  0.95131181
   0.50058221  0.09706201  0.93992197
   0.56115993  0.55946635  0.08017417
   0.87575937  0.70616198  0.28954759
   0.61757463  0.80869155  0.04156013
   0.88778008  0.95764927  0.33968709
   0.92629736  0.89425133  0.15657766
   0.68332889  0.87338619  0.22567018
   0.81528468  0.66349592  0.45941499
   0.58285848  0.57746867  0.39621296
   0.61597711  0.61997837  0.58020713
   0.81324191  0.71609400  0.79947297
   0.60507922  0.83105007  0.43532218
   0.92536809  0.96308358  0.82579374
   0.92831507  0.86488386  0.65869870
   0.68236452  0.93127035  0.73320455
   0.77958844  0.61214372  0.98317847
   0.54348290  0.66194730  0.90158789
   0.70224872  0.81694688  0.58496833
   0.51216609  0.84556934  0.43111608
   0.87061270  0.25232004  0.07306461
   0.92640273  0.37092810  0.35948460
   0.34190678  0.13748887  0.65001656
   0.36068430  0.80964772  0.78595848
   0.17512540  1.12630517  0.19900402
   0.25070935  1.06940848 -0.00052845
   0.64115138  0.35957958  0.86522166
   0.90143133  0.39780059  0.60351597
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909452    0.005046   -0.074234
    -0.000000    9.812245    0.140489
    -0.000000    0.000000   13.928509
   Si   O    H 
    32    64    10
Direct configuration=  1861
   0.16891312  0.18172415 -0.03611154
   0.35182191  0.06943149  0.37839111
   0.14751154  0.40093142  0.11914536
   0.38663651  0.33165008  0.26030560
   0.09610507  0.17007428  0.49193829
   0.39499254  0.13558537  0.84504644
   0.11735130  0.41599875  0.62013263
   0.37926576  0.37856902  0.75211059
   0.13713438  0.66597646 -0.00478328
   0.41296331  0.58843965  0.36274272
   0.08558488  0.90399661  0.14001425
   0.32584434  0.81651231  0.24875609
   0.16214197  0.65650343  0.48534918
   0.38829730  0.63477968  0.86851202
   0.05218598  0.91165610  0.59578763
   0.32653307  0.98762617  0.67457905
   0.61955745  0.14507409  1.00259751
   0.86324174  0.12226144  0.34915663
   0.60591795  0.40626470  0.11993476
   0.87567390  0.30577905  0.16787609
   0.61151504  0.17519898  0.48325711
   0.87135012  0.10502784  0.87495769
   0.58712790  0.44998684  0.60642155
   0.74943069  0.36567466  0.79558258
   0.62831410  0.65611689  0.00065950
   0.90703497  0.59734988  0.37894262
   0.58956978  0.90641454  0.13067107
   0.84585141  0.86123415  0.25066955
   0.65252372  0.67737217  0.47021084
   0.87503304  0.61303309  0.88314469
   0.61641473  0.92939007  0.62235548
   0.83717342  0.86358323  0.75570420
   0.11793572  0.06431587  0.15672037
   0.34761821  0.16846952  0.27901548
   0.16022319  0.32462069  0.01496506
   0.38374046  0.42340468  0.35715640
   0.53219219  0.33083322  0.21104651
   0.28474283  0.38232567  0.17649827
   0.22870413  0.09877906  0.45876779
  -0.01282466  0.19768574  0.40446673
  -0.00314400  0.06573758  0.55811453
   0.47349017  0.23910251  0.77286171
   0.13391037  0.32506340  0.53018382
   0.36257855  0.46520359  0.85292515
   0.44819422  0.46719848  0.66722714
   0.21878133  0.37622366  0.71059348
   0.25424421  0.20517506 -0.13685748
   0.00467398  0.15399247  0.92522906
   0.12124007  0.56028243  0.08287012
   0.38000664  0.65632526  0.26296437
   0.12226630  0.83583558  0.03788256
   0.35167018  0.91266108  0.34724224
   0.43523497  0.87859263  0.16970917
   0.16673675  0.82712172  0.22938102
   0.31525231  0.66636774  0.44053020
   0.07271490  0.59180160  0.39840497
   0.16384307  0.56997827  0.58669508
   0.34193950  0.71708077  0.77872730
   0.10192813  0.80549705  0.51658179
   0.37518317  0.99569640  0.78499390
   0.44400320  0.90680866  0.61972295
   0.18666226  0.92325510  0.67029368
   0.28124488  0.66763874 -0.04628982
   0.01613908  0.66689708  0.91133112
   0.60948808  0.05709242  0.10049630
   0.84205880  0.18469591  0.24527438
   0.61993043  0.30374323  0.02496279
   0.85669656  0.43573688  0.37942516
   0.02587534  0.36262435  0.18932357
   0.76514961  0.43364234  0.15994446
   0.72066259  0.14627192  0.40724497
   0.47930919  0.10351797  0.44850505
   0.66441024  0.07777700  0.57425571
   0.82338513  0.21469931  0.79371671
   0.58693117  0.33652008  0.51417354
   0.87250642  0.45544513  0.84635492
   0.96164595  0.42941336  0.65281598
   0.69575119  0.40636422  0.68861775
   0.74915763  0.08842426  0.95006887
   0.49882433  0.09638193  0.93947597
   0.56016000  0.55809556  0.08020081
   0.87502761  0.70718588  0.28895636
   0.61701325  0.80783999  0.04135272
   0.88686653  0.95749992  0.34038790
   0.92508692  0.89585695  0.15505105
   0.68399027  0.87288113  0.22636315
   0.81476107  0.66330305  0.45781975
   0.58161384  0.57670845  0.39589172
   0.61643947  0.62064072  0.57938219
   0.81305868  0.71505916  0.79976563
   0.60627991  0.82995907  0.43586329
   0.92331331  0.96162978  0.82540791
   0.92833826  0.86460595  0.65853959
   0.68308505  0.93122149  0.73164567
   0.77766234  0.61190402  0.98382415
   0.54387479  0.66171364  0.90239380
   0.70178371  0.81581619  0.58489705
   0.51001355  0.84818210  0.43305593
   0.86934473  0.24858871  0.06799520
   0.92627421  0.37312946  0.36137547
   0.34523100  0.13400003  0.64962024
   0.36381937  0.81366979  0.79175309
   0.17629632  1.12811095  0.19835908
   0.25318878  1.07677712 -0.00112632
   0.63812208  0.36409155  0.86091894
   0.89760800  0.39916933  0.60415098
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910677    0.004741   -0.073593
    -0.000000    9.813615    0.138338
    -0.000000    0.000000   13.928882
   Si   O    H 
    32    64    10
Direct configuration=  1862
   0.16806154  0.18321776 -0.03662903
   0.35201922  0.06973079  0.37840552
   0.14804357  0.40044887  0.11872862
   0.38668755  0.33017111  0.25958297
   0.09481876  0.17010476  0.49128151
   0.39524838  0.13619626  0.84455089
   0.11686294  0.41475139  0.62086724
   0.37874310  0.37830366  0.75209902
   0.13672976  0.66627653 -0.00417684
   0.41247066  0.58857585  0.36290416
   0.08604549  0.90429528  0.13958163
   0.32657668  0.81664887  0.24810324
   0.16074690  0.65699931  0.48517955
   0.38837754  0.63443018  0.86830718
   0.05266765  0.90960492  0.59555397
   0.32626658  0.98783677  0.67499447
   0.61975257  0.14489946  1.00230414
   0.86378768  0.12266712  0.34937551
   0.60708642  0.40831365  0.12108923
   0.87314752  0.30616054  0.16799872
   0.61206067  0.17561244  0.48314282
   0.87265514  0.10533629  0.87548549
   0.58642369  0.44945333  0.60607314
   0.74776182  0.36328552  0.79614124
   0.62748130  0.65555470  0.00023144
   0.90725430  0.59577129  0.37914941
   0.58994720  0.90631978  0.13031436
   0.84636821  0.85986157  0.25065575
   0.65340375  0.67725918  0.47083920
   0.87574451  0.61336827  0.88361972
   0.61581520  0.93042145  0.62280459
   0.83714208  0.86496266  0.75563916
   0.11663274  0.06503318  0.15585011
   0.34771090  0.16841540  0.27967438
   0.16072764  0.32535074  0.01365828
   0.38320109  0.42176133  0.35844534
   0.53314492  0.33197499  0.21148630
   0.28308830  0.38099594  0.17642756
   0.23024293  0.09912729  0.46010018
  -0.01129770  0.19658113  0.40400049
  -0.00423824  0.06535477  0.55759995
   0.47491410  0.23946506  0.77373219
   0.13271259  0.32253997  0.52980350
   0.36341593  0.46483619  0.85320918
   0.44750817  0.46745103  0.66721656
   0.21777569  0.37461687  0.71074417
   0.25547730  0.20554220 -0.13789592
   0.00527756  0.15427130  0.92610139
   0.12126660  0.55798198  0.08181386
   0.38217513  0.65501452  0.26236084
   0.12195718  0.83722864  0.03844522
   0.34998416  0.91316311  0.34859543
   0.43482049  0.87844551  0.16963741
   0.16810721  0.82915788  0.22882848
   0.31473776  0.66625822  0.43854643
   0.07436924  0.59141763  0.39690888
   0.16373452  0.56991007  0.58601884
   0.34232573  0.71351522  0.77805561
   0.10296968  0.80242000  0.51663764
   0.37523585  0.99403882  0.78542587
   0.44298593  0.90567893  0.61958728
   0.18457944  0.92342985  0.67073494
   0.28116925  0.66815637 -0.04546160
   0.01477764  0.66755648  0.90966859
   0.60690048  0.05817499  0.09973360
   0.84313824  0.18521317  0.24471084
   0.62031563  0.30648826  0.02448255
   0.85514930  0.43651840  0.37944613
   0.02842320  0.36252609  0.18901299
   0.76422766  0.43106282  0.15987252
   0.72168610  0.14678238  0.40666804
   0.47805371  0.10406120  0.44839676
   0.66511959  0.07776370  0.57409345
   0.82233718  0.21499837  0.79273192
   0.58776445  0.33727401  0.51332667
   0.87356207  0.45548531  0.84465807
   0.96280158  0.42983454  0.65245155
   0.69761303  0.40756816  0.68821371
   0.74972855  0.08673496  0.94887981
   0.49686112  0.09564448  0.93829235
   0.55986396  0.55652222  0.07978145
   0.87454354  0.70821025  0.28835018
   0.61696637  0.80735512  0.04140850
   0.88626765  0.95755425  0.34074054
   0.92335113  0.89664228  0.15349516
   0.68474287  0.87352472  0.22705061
   0.81406754  0.66351787  0.45651706
   0.57933626  0.57610079  0.39558611
   0.61643608  0.62093003  0.57874632
   0.81256849  0.71336795  0.79989671
   0.60739804  0.82881974  0.43636137
   0.92090920  0.95948491  0.82484315
   0.92860553  0.86405461  0.65885269
   0.68436837  0.93121917  0.73032095
   0.77631019  0.61149165  0.98457543
   0.54415555  0.66103918  0.90284567
   0.69804601  0.81752279  0.58631202
   0.50741464  0.84904403  0.43562241
   0.86817662  0.24713093  0.06458342
   0.92618396  0.37669014  0.36451859
   0.34437404  0.13012577  0.64913554
   0.36846469  0.81856358  0.79422643
   0.17395565  1.12501008  0.19374435
   0.25492615  1.07596939  0.00065655
   0.63255463  0.36902470  0.85729291
   0.89263949  0.40246551  0.60476623
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912089    0.004256   -0.073281
    -0.000000    9.814714    0.135796
    -0.000000    0.000000   13.929140
   Si   O    H 
    32    64    10
Direct configuration=  1863
   0.16636462  0.18479555 -0.03721251
   0.35259576  0.07018418  0.37855955
   0.14790204  0.39996463  0.11821226
   0.38671019  0.32843474  0.25893793
   0.09302514  0.17017903  0.49055530
   0.39640885  0.13654723  0.84433757
   0.11625327  0.41456083  0.62182284
   0.37783144  0.37777159  0.75202852
   0.13647565  0.66625485 -0.00355318
   0.41248192  0.58875532  0.36317261
   0.08585894  0.90478074  0.13924887
   0.32819591  0.81733652  0.24794540
   0.15944645  0.65741980  0.48494383
   0.38834968  0.63335220  0.86829015
   0.05296771  0.90742416  0.59511165
   0.32637701  0.98799530  0.67547852
   0.61988518  0.14484319  1.00194233
   0.86429133  0.12230018  0.34970628
   0.60805873  0.41041188  0.12170248
   0.87128131  0.30702643  0.16789083
   0.61256751  0.17613861  0.48328563
   0.87363767  0.10580487  0.87572322
   0.58596247  0.44928994  0.60573459
   0.74682306  0.36057595  0.79670819
   0.62641002  0.65490620 -0.00009169
   0.90735986  0.59409910  0.37884700
   0.58965126  0.90595780  0.12997578
   0.84680135  0.85936244  0.25085782
   0.65375267  0.67721363  0.47141223
   0.87560419  0.61309553  0.88381082
   0.61523869  0.93162945  0.62345640
   0.83637500  0.86564814  0.75566827
   0.11570360  0.06609559  0.15481323
   0.34642590  0.16875472  0.28088762
   0.16171926  0.32619820  0.01315192
   0.38224089  0.41997872  0.35950744
   0.53400953  0.33311529  0.21144845
   0.28302971  0.38014505  0.17705112
   0.23150337  0.09895942  0.46084364
  -0.01065103  0.19601646  0.40307886
  -0.00462679  0.06496141  0.55701880
   0.47588958  0.24006004  0.77444407
   0.13187767  0.32010994  0.52930062
   0.36401924  0.46435575  0.85347461
   0.44595233  0.46746052  0.66734141
   0.21715717  0.37284367  0.71152046
   0.25560639  0.20597857 -0.13902193
   0.00677394  0.15501458  0.92744997
   0.12148500  0.55616070  0.08054108
   0.38408606  0.65538427  0.26093584
   0.12158646  0.83764928  0.03887833
   0.34882181  0.91276267  0.34989899
   0.43397552  0.87865449  0.16964157
   0.16974919  0.83133614  0.22880824
   0.31426379  0.66608053  0.43719069
   0.07577903  0.59072476  0.39529559
   0.16364784  0.56953234  0.58498344
   0.34256215  0.71101283  0.77719346
   0.10359556  0.79930323  0.51713421
   0.37577905  0.99199548  0.78666214
   0.44201164  0.90457555  0.61932834
   0.18169714  0.92381834  0.67073874
   0.28216070  0.66837499 -0.04522563
   0.01450456  0.66776627  0.90888020
   0.60486383  0.05955062  0.09952426
   0.84403032  0.18554893  0.24339152
   0.62112752  0.30981335  0.02406813
   0.85320474  0.43780227  0.38011075
   0.03079302  0.36159667  0.18893320
   0.76258192  0.42849701  0.15978716
   0.72338831  0.14802054  0.40601765
   0.47726991  0.10497585  0.44850799
   0.66531399  0.07740243  0.57399664
   0.82115706  0.21486486  0.79210785
   0.58877148  0.33838785  0.51278148
   0.87441312  0.45621836  0.84354380
   0.96296978  0.43087506  0.65197105
   0.69963182  0.40813283  0.68763980
   0.75049390  0.08505180  0.94769120
   0.49366183  0.09504074  0.93651975
   0.55905439  0.55351592  0.07970252
   0.87443548  0.70865661  0.28798031
   0.61640192  0.80688029  0.04151853
   0.88571600  0.95743462  0.34106291
   0.92208575  0.89709603  0.15179231
   0.68533051  0.87417866  0.22704253
   0.81417053  0.66406021  0.45555291
   0.57665869  0.57567260  0.39506384
   0.61679158  0.62024323  0.57824720
   0.81147338  0.71177152  0.79980242
   0.60766778  0.82734677  0.43651475
   0.91887030  0.95811591  0.82517311
   0.92805920  0.86322198  0.65904333
   0.68555728  0.93147232  0.72921681
   0.77557566  0.61107708  0.98515733
   0.54371772  0.65972317  0.90270050
   0.69619824  0.82187315  0.58550544
   0.51401941  0.85039537  0.43724285
   0.87008232  0.24600664  0.06730573
   0.92949489  0.37500228  0.36590610
   0.33889881  0.13294567  0.64531639
   0.36939267  0.81761805  0.79055326
   0.17047774  1.11932937  0.19033242
   0.25186476  1.07005952  0.00506924
   0.62878938  0.37498454  0.85603703
   0.89154259  0.40606561  0.60581929
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913680    0.003767   -0.072923
    -0.000000    9.816007    0.133202
    -0.000000    0.000000   13.929560
   Si   O    H 
    32    64    10
Direct configuration=  1864
   0.16478204  0.18533536 -0.03801150
   0.35295217  0.07056256  0.37825072
   0.14825296  0.39956680  0.11774007
   0.38697580  0.32759868  0.25813271
   0.09164421  0.16994935  0.49005527
   0.39807585  0.13660521  0.84464386
   0.11647542  0.41462928  0.62300462
   0.37757700  0.37748402  0.75206328
   0.13590831  0.66667771 -0.00352275
   0.41305434  0.58873083  0.36362070
   0.08559588  0.90494065  0.13896461
   0.32994394  0.81789265  0.24776386
   0.15852007  0.65746656  0.48433775
   0.38744717  0.63238507  0.86856079
   0.05359605  0.90547145  0.59456453
   0.32658574  0.98822931  0.67600645
   0.61965533  0.14454224  1.00196217
   0.86455132  0.12211238  0.35012551
   0.60917287  0.41185095  0.12200124
   0.86888782  0.30793486  0.16763464
   0.61322599  0.17701284  0.48371021
   0.87505678  0.10642799  0.87603925
   0.58566620  0.44949735  0.60549536
   0.74640140  0.35840904  0.79734654
   0.62541250  0.65458984 -0.00034589
   0.90803847  0.59282179  0.37801386
   0.58952043  0.90480301  0.12980474
   0.84757045  0.85904698  0.25158797
   0.65402130  0.67697397  0.47194966
   0.87460494  0.61250067  0.88383607
   0.61477764  0.93337694  0.62390814
   0.83530140  0.86608373  0.75561691
   0.11497712  0.06648013  0.15357309
   0.34510983  0.16900847  0.28189528
   0.16229947  0.32718299  0.01282602
   0.38172381  0.41820561  0.35971799
   0.53504257  0.33397435  0.21128762
   0.28331634  0.37850348  0.17795325
   0.23293134  0.09852089  0.46139646
  -0.00938908  0.19656514  0.40233861
  -0.00423256  0.06400074  0.55675756
   0.47644838  0.24061299  0.77489424
   0.13129852  0.31722289  0.52898798
   0.36475660  0.46336300  0.85370563
   0.44514290  0.46714602  0.66686032
   0.21712414  0.37182237  0.71179135
   0.25524783  0.20589168 -0.14031212
   0.00873256  0.15607729  0.92921598
   0.12104805  0.55486787  0.07969564
   0.38595536  0.65538478  0.25921350
   0.12122796  0.83742286  0.03937257
   0.34734545  0.91135036  0.35131195
   0.43373959  0.87882035  0.16915633
   0.17077550  0.83301906  0.22888275
   0.31360350  0.66551018  0.43590329
   0.07648572  0.58993449  0.39461104
   0.16395457  0.56869644  0.58405228
   0.34299601  0.70976287  0.77586971
   0.10394428  0.79687655  0.51760410
   0.37648847  0.99080502  0.78779131
   0.44216473  0.90268143  0.61906471
   0.17974468  0.92370497  0.67081599
   0.28294982  0.66834465 -0.04555244
   0.01523567  0.66793093  0.90874258
   0.60287253  0.06044710  0.09949481
   0.84546557  0.18584816  0.24189798
   0.62156576  0.31291965  0.02402123
   0.85215066  0.43876501  0.38070918
   0.03268717  0.36045752  0.18888721
   0.76191002  0.42682515  0.16039037
   0.72528902  0.14934564  0.40560982
   0.47654029  0.10604402  0.44842147
   0.66487156  0.07666333  0.57459679
   0.82008889  0.21503164  0.79215662
   0.58931620  0.33979143  0.51307449
   0.87479227  0.45714886  0.84223538
   0.96277583  0.43247669  0.65238336
   0.70148666  0.40882995  0.68702571
   0.75122847  0.08362165  0.94641997
   0.49013839  0.09539750  0.93537466
   0.55755660  0.55103849  0.07911498
   0.87348674  0.70882210  0.28855689
   0.61588256  0.80545682  0.04161429
   0.88573121  0.95712339  0.34114879
   0.92071766  0.89769630  0.15015960
   0.68637476  0.87498223  0.22732450
   0.81417150  0.66448082  0.45444614
   0.57451898  0.57542853  0.39403255
   0.61711436  0.61806126  0.57796833
   0.81084146  0.70918937  0.80028082
   0.60817474  0.82709742  0.43744967
   0.91734950  0.95791313  0.82610283
   0.92764311  0.86205629  0.65932909
   0.68608964  0.93149942  0.72814302
   0.77516498  0.61036742  0.98530243
   0.54338735  0.65876882  0.90236512
   0.69426065  0.82589445  0.58463684
   0.51508034  0.85676564  0.43958606
   0.87321435  0.24350307  0.07203582
   0.93208148  0.37484250  0.36941720
   0.33130962  0.13422130  0.64080296
   0.36917768  0.80683232  0.78582104
   0.18315872  1.11532803  0.19402897
   0.24406690  1.06502021  0.00779834
   0.62769186  0.38289937  0.85567938
   0.89252708  0.41058136  0.60790580
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915170    0.003485   -0.072659
    -0.000000    9.817220    0.130597
    -0.000000    0.000000   13.929444
   Si   O    H 
    32    64    10
Direct configuration=  1865
   0.16286153  0.18544444 -0.03910853
   0.35327539  0.07112848  0.37810530
   0.14859377  0.39957232  0.11765313
   0.38736144  0.32697058  0.25757345
   0.09068811  0.16935826  0.49001853
   0.39982723  0.13559611  0.84497339
   0.11673661  0.41492490  0.62416401
   0.37697717  0.37725827  0.75220422
   0.13467603  0.66711786 -0.00385099
   0.41354127  0.58787489  0.36424102
   0.08539396  0.90489615  0.13853871
   0.33204783  0.81864063  0.24735765
   0.15827717  0.65687766  0.48354631
   0.38667005  0.63096222  0.86866159
   0.05353143  0.90420237  0.59430317
   0.32636198  0.98820852  0.67682165
   0.61965964  0.14412668  1.00215032
   0.86475670  0.12213853  0.35048890
   0.61065764  0.41305395  0.12216071
   0.86729380  0.30839560  0.16772308
   0.61419068  0.17747264  0.48392982
   0.87644966  0.10656025  0.87597690
   0.58574285  0.44986320  0.60545911
   0.74636383  0.35717397  0.79786262
   0.62443620  0.65465723 -0.00073511
   0.90902564  0.59124606  0.37720342
   0.58949406  0.90323342  0.12973041
   0.84806720  0.85848282  0.25214549
   0.65409697  0.67611348  0.47271122
   0.87351609  0.61109590  0.88365002
   0.61392549  0.93457839  0.62430936
   0.83445699  0.86642764  0.75562968
   0.11496022  0.06767967  0.15223525
   0.34426302  0.16874036  0.28246073
   0.16331927  0.32818984  0.01240223
   0.38128127  0.41622771  0.35903323
   0.53605863  0.33556466  0.21103399
   0.28329312  0.37734125  0.17893385
   0.23463866  0.09825612  0.46142045
  -0.00915244  0.19745216  0.40134706
  -0.00336631  0.06223659  0.55664876
   0.47590375  0.24163683  0.77575071
   0.13052058  0.31474377  0.52847620
   0.36525201  0.46209157  0.85414195
   0.44466881  0.46686450  0.66647266
   0.21693091  0.37014701  0.71263905
   0.25417113  0.20609109 -0.14138610
   0.01038367  0.15754397  0.93081195
   0.12065981  0.55381290  0.07873842
   0.38791257  0.65540591  0.25722988
   0.12066930  0.83584387  0.03958822
   0.34526191  0.91001542  0.35221255
   0.43430419  0.87853305  0.16845267
   0.17147966  0.83441084  0.22927366
   0.31214364  0.66470182  0.43494454
   0.07637310  0.58978839  0.39412663
   0.16488865  0.56829255  0.58308870
   0.34423907  0.70993444  0.77429698
   0.10293267  0.79468903  0.51794753
   0.37753537  0.98945718  0.78949637
   0.44302775  0.90197373  0.61850203
   0.17797303  0.92354571  0.67071896
   0.28465285  0.66773686 -0.04609492
   0.01675828  0.66827136  0.90855319
   0.60087658  0.06159918  0.09922108
   0.84595203  0.18635485  0.24108326
   0.62229355  0.31614275  0.02368370
   0.85093927  0.44000691  0.38080661
   0.03353921  0.35802998  0.18935689
   0.76075273  0.42603806  0.16098283
   0.72755607  0.15074486  0.40549189
   0.47526105  0.10687671  0.44790937
   0.66394669  0.07592545  0.57553896
   0.81973987  0.21553314  0.79204251
   0.59026941  0.34134867  0.51372123
   0.87467668  0.45791738  0.84163156
   0.96339119  0.43353660  0.65268628
   0.70304536  0.41036570  0.68636604
   0.75164801  0.08254604  0.94545568
   0.48695163  0.09614802  0.93452980
   0.55530861  0.54908086  0.07815144
   0.87358482  0.70804654  0.28952960
   0.61666104  0.80413870  0.04154755
   0.88552507  0.95716013  0.34133579
   0.91871349  0.89851274  0.14896389
   0.68669923  0.87613647  0.22708776
   0.81491473  0.66477102  0.45290095
   0.57219519  0.57497317  0.39340995
   0.61748986  0.61497025  0.57747294
   0.81036337  0.70772440  0.80040023
   0.60814885  0.82780935  0.43810607
   0.91662915  0.95843151  0.82703349
   0.92759864  0.86024893  0.65891614
   0.68688292  0.93135900  0.72745361
   0.77571521  0.60960116  0.98562262
   0.54194957  0.65798113  0.90143126
   0.68916679  0.83070236  0.58503558
   0.51635277  0.86610195  0.44064082
   0.87332271  0.24366994  0.07616203
   0.92811508  0.37875902  0.37297208
   0.32326255  0.13313001  0.63430852
   0.36831272  0.80005645  0.78046909
   0.19470018  1.10918964  0.19549581
   0.23321820  1.06434145  0.01196917
   0.62701628  0.38879102  0.85688686
   0.88782637  0.41725377  0.60928993
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916741    0.002037   -0.072855
    -0.000000    9.818873    0.128069
    -0.000000    0.000000   13.929712
   Si   O    H 
    32    64    10
Direct configuration=  1866
   0.16157441  0.18515161 -0.04064597
   0.35242700  0.07220962  0.37776347
   0.14898786  0.39966346  0.11749163
   0.38783352  0.32659671  0.25721571
   0.09069016  0.16861782  0.48986861
   0.40154030  0.13392274  0.84461731
   0.11744806  0.41564839  0.62543363
   0.37659060  0.37685521  0.75222829
   0.13331413  0.66763637 -0.00403896
   0.41386217  0.58707020  0.36476781
   0.08458695  0.90520299  0.13861147
   0.33419938  0.81971584  0.24708016
   0.15839637  0.65639104  0.48253463
   0.38609744  0.62921888  0.86880850
   0.05286102  0.90312567  0.59421196
   0.32609876  0.98838075  0.67731108
   0.61926025  0.14356981  1.00210391
   0.86466368  0.12211836  0.35066839
   0.61224892  0.41376471  0.12265413
   0.86637866  0.30894004  0.16802015
   0.61489024  0.17757374  0.48429365
   0.87734635  0.10661167  0.87576722
   0.58699337  0.45058726  0.60566054
   0.74626470  0.35660092  0.79863444
   0.62338388  0.65429480 -0.00144803
   0.90958235  0.59017909  0.37660028
   0.58914404  0.90110223  0.12977439
   0.84808271  0.85768409  0.25244172
   0.65371918  0.67546872  0.47329435
   0.87299075  0.60998978  0.88344612
   0.61318629  0.93547249  0.62457931
   0.83249554  0.86629675  0.75559678
   0.11598985  0.06914545  0.15068695
   0.34357296  0.16844321  0.28306012
   0.16406480  0.32917682  0.01253563
   0.37983329  0.41470243  0.35815924
   0.53611338  0.33656823  0.21102057
   0.28273272  0.37649565  0.17992974
   0.23695377  0.09819675  0.46092232
  -0.00992983  0.19874128  0.40020869
  -0.00219978  0.05990200  0.55661266
   0.47559701  0.24287356  0.77630035
   0.12962114  0.31279203  0.52852787
   0.36559067  0.46101944  0.85468403
   0.44431980  0.46601532  0.66609141
   0.21668744  0.36790562  0.71355802
   0.25287292  0.20632101 -0.14200690
   0.01002003  0.15885458  0.93133118
   0.12009729  0.55337503  0.07803845
   0.38894108  0.65550539  0.25556946
   0.11897275  0.83383956  0.03960152
   0.34332554  0.90943804  0.35245282
   0.43475088  0.87800983  0.16709825
   0.17185621  0.83550383  0.22929415
   0.31125453  0.66423970  0.43434162
   0.07541614  0.59006048  0.39375372
   0.16505211  0.56682515  0.58226453
   0.34471182  0.70973033  0.77228726
   0.10212680  0.79334905  0.51852476
   0.37831734  0.98817580  0.79170392
   0.44427144  0.90030599  0.61843220
   0.17621242  0.92391650  0.67051219
   0.28558051  0.66754122 -0.04632170
   0.01977431  0.66879525  0.90869285
   0.59846577  0.06225774  0.09924994
   0.84621581  0.18551619  0.24006690
   0.62250738  0.31842127  0.02288028
   0.85034902  0.44058616  0.38054722
   0.03399211  0.35638367  0.19034036
   0.75981926  0.42655814  0.16145327
   0.72989933  0.15232655  0.40515372
   0.47409120  0.10809347  0.44734360
   0.66265774  0.07567470  0.57619770
   0.81974089  0.21597033  0.79225093
   0.59137496  0.34252975  0.51438218
   0.87436024  0.45852952  0.84076354
   0.96322566  0.43419283  0.65296286
   0.70497654  0.41178428  0.68544038
   0.75066551  0.08232393  0.94407013
   0.48504730  0.09671750  0.93420312
   0.55249628  0.54791850  0.07791323
   0.87469365  0.70707654  0.29003137
   0.61770285  0.80291331  0.04208215
   0.88480383  0.95704507  0.34181653
   0.91780794  0.89886819  0.14806473
   0.68671346  0.87697888  0.22636819
   0.81546124  0.66521953  0.45194465
   0.57057436  0.57425976  0.39307811
   0.61763113  0.61116564  0.57665196
   0.80985411  0.70560678  0.80065978
   0.60791441  0.82797998  0.43827637
   0.91647932  0.95972895  0.82851979
   0.92666787  0.85876933  0.65855606
   0.68880535  0.93147148  0.72706476
   0.77688719  0.60938666  0.98552963
   0.54025799  0.65672129  0.90097147
   0.68723341  0.83245837  0.58742506
   0.52061025  0.87162788  0.44132270
   0.87407451  0.24244023  0.07664371
   0.92324645  0.38016391  0.37415239
   0.31227919  0.13164975  0.62958614
   0.37237807  0.80524725  0.77434048
   0.19526696  1.09862555  0.19306634
   0.21901880  1.06908774  0.01430417
   0.62656076  0.39313028  0.85656680
   0.88418110  0.42259047  0.61135875
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918184    0.001021   -0.072803
    -0.000000    9.820585    0.125166
    -0.000000    0.000000   13.930170
   Si   O    H 
    32    64    10
Direct configuration=  1867
   0.16021635  0.18430368 -0.04233974
   0.35100409  0.07300517  0.37770476
   0.14975651  0.39951583  0.11688942
   0.38835664  0.32684659  0.25699505
   0.09072240  0.16750735  0.48964364
   0.40283007  0.13243586  0.84382589
   0.11799480  0.41634622  0.62579550
   0.37581341  0.37647571  0.75202019
   0.13231898  0.66818371 -0.00388232
   0.41378428  0.58612564  0.36507438
   0.08401579  0.90530541  0.13847537
   0.33675107  0.82086958  0.24694760
   0.15914289  0.65588255  0.48156604
   0.38551922  0.62712474  0.86944201
   0.05151137  0.90211107  0.59421535
   0.32634767  0.98860891  0.67736661
   0.61896051  0.14384575  1.00220183
   0.86426262  0.12165701  0.35100862
   0.61346455  0.41331903  0.12337255
   0.86612074  0.30899209  0.16794328
   0.61578463  0.17822561  0.48449147
   0.87876593  0.10618059  0.87537714
   0.58811605  0.45166761  0.60606673
   0.74616676  0.35696522  0.79896258
   0.62226558  0.65366968 -0.00196271
   0.91026957  0.59033774  0.37583379
   0.58878114  0.89897012  0.12963241
   0.84730485  0.85704436  0.25295908
   0.65308370  0.67483408  0.47383334
   0.87261310  0.60891080  0.88347744
   0.61243097  0.93620408  0.62495219
   0.83127969  0.86570188  0.75521804
   0.11740110  0.07055558  0.14967666
   0.34301369  0.16835317  0.28301112
   0.16449478  0.33050222  0.01280312
   0.37843101  0.41279090  0.35688244
   0.53635566  0.33689958  0.21075567
   0.28184331  0.37560113  0.18092858
   0.23829395  0.09784473  0.46081721
  -0.01089659  0.19937528  0.39974500
   0.00049861  0.05665096  0.55646192
   0.47474164  0.24352369  0.77717723
   0.12929499  0.31120842  0.52948400
   0.36617514  0.45920005  0.85466702
   0.44402442  0.46532383  0.66548457
   0.21709421  0.36563069  0.71432969
   0.25306863  0.20630889 -0.14286708
   0.00947342  0.15893239  0.93138586
   0.11916005  0.55248695  0.07755247
   0.38853664  0.65607845  0.25395685
   0.11755159  0.83158653  0.03878015
   0.34095159  0.90823216  0.35253909
   0.43460566  0.87722978  0.16533385
   0.17314586  0.83639557  0.22882743
   0.31043787  0.66422273  0.43434107
   0.07442021  0.59044375  0.39367258
   0.16534113  0.56477818  0.58133796
   0.34567346  0.70868737  0.77055266
   0.10152562  0.79220153  0.51914923
   0.37912435  0.98653727  0.79314977
   0.44568059  0.89941679  0.61859467
   0.17379011  0.92281369  0.67039283
   0.28585553  0.66703341 -0.04662706
   0.02335720  0.66922557  0.90881737
   0.59581030  0.06259761  0.09974402
   0.84646223  0.18450506  0.23901128
   0.62266706  0.32032813  0.02218698
   0.85064380  0.44095795  0.38016277
   0.03362695  0.35439455  0.19110318
   0.75973045  0.42724864  0.16217548
   0.73178024  0.15433674  0.40512150
   0.47327881  0.10867931  0.44684672
   0.66082052  0.07640614  0.57637869
   0.82075873  0.21616063  0.79249022
   0.59275204  0.34364192  0.51540647
   0.87335600  0.45846798  0.83997916
   0.96232888  0.43519771  0.65342599
   0.70641175  0.41244927  0.68441656
   0.74989256  0.08312802  0.94313185
   0.48398218  0.09731318  0.93455020
   0.54935261  0.54711893  0.07691757
   0.87655536  0.70542839  0.28995726
   0.61894302  0.80234788  0.04228564
   0.88393103  0.95714137  0.34248275
   0.91755758  0.89854013  0.14772899
   0.68642643  0.87733934  0.22555613
   0.81597137  0.66599344  0.45152498
   0.56870426  0.57398988  0.39316321
   0.61636015  0.60755410  0.57615378
   0.80882631  0.70374088  0.80122432
   0.60782799  0.82831052  0.43840327
   0.91606873  0.96063343  0.83044865
   0.92493222  0.85763979  0.65804714
   0.69004464  0.93208423  0.72684010
   0.77870848  0.60950128  0.98508891
   0.53880336  0.65569999  0.90034344
   0.68472688  0.82681714  0.58852383
   0.52232911  0.87813602  0.44170711
   0.87478568  0.24118603  0.07531927
   0.92377347  0.37318966  0.37552733
   0.30234311  0.12624766  0.62726675
   0.37613527  0.80669561  0.77085735
   0.19138667  1.09016245  0.18819038
   0.20742598  1.07454657  0.01544516
   0.63097204  0.39103820  0.85756047
   0.88195674  0.42652057  0.61434491
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920089   -0.000495   -0.072999
    -0.000000    9.822223    0.122232
    -0.000000    0.000000   13.930227
   Si   O    H 
    32    64    10
Direct configuration=  1868
   0.15938211  0.18379277 -0.04372854
   0.34926463  0.07361314  0.37760394
   0.14987535  0.39944289  0.11648769
   0.38964859  0.32688806  0.25708222
   0.09110584  0.16619415  0.49008757
   0.40310890  0.13066802  0.84286076
   0.11911758  0.41730018  0.62619826
   0.37524989  0.37699586  0.75175647
   0.13083528  0.66902564 -0.00372531
   0.41382406  0.58507751  0.36546553
   0.08379495  0.90546232  0.13840451
   0.33945608  0.82170536  0.24674784
   0.15966208  0.65522536  0.48052965
   0.38474516  0.62493782  0.86965128
   0.05051424  0.90185586  0.59445583
   0.32645870  0.98833020  0.67721047
   0.61874187  0.14413585  1.00219328
   0.86413540  0.12124714  0.35068160
   0.61436766  0.41270026  0.12369187
   0.86653702  0.30869810  0.16736404
   0.61695770  0.17796381  0.48451192
   0.88001298  0.10549829  0.87494684
   0.58883343  0.45275298  0.60713788
   0.74647881  0.35781062  0.79914506
   0.62199197  0.65293478 -0.00232120
   0.91071993  0.59067261  0.37519981
   0.58800994  0.89767253  0.13005704
   0.84616303  0.85604829  0.25345936
   0.65264060  0.67559984  0.47389171
   0.87211458  0.60823944  0.88398974
   0.61197055  0.93691209  0.62529995
   0.83098786  0.86435421  0.75506230
   0.11781241  0.07252437  0.14803062
   0.34194526  0.16872647  0.28335441
   0.16533622  0.33095400  0.01287484
   0.37737613  0.41109326  0.35567415
   0.53575897  0.33760695  0.21058169
   0.28097364  0.37553926  0.18102969
   0.23875407  0.09778110  0.46114770
  -0.01146017  0.20082426  0.39902140
   0.00331076  0.05336077  0.55608555
   0.47407316  0.24438527  0.77703394
   0.12848108  0.31017325  0.53085718
   0.36665411  0.45852235  0.85500844
   0.44398670  0.46400900  0.66481913
   0.21768814  0.36345609  0.71487894
   0.25330085  0.20565599 -0.14357041
   0.00791421  0.15872502  0.93118981
   0.11820405  0.55257196  0.07701558
   0.38815110  0.65689806  0.25269036
   0.11545174  0.82945272  0.03746888
   0.33896215  0.90748559  0.35303109
   0.43459909  0.87657611  0.16423052
   0.17418450  0.83705872  0.22818953
   0.30917637  0.66440580  0.43441508
   0.07362624  0.59032916  0.39312749
   0.16695912  0.56242786  0.58078690
   0.34694779  0.70820794  0.76933329
   0.10039925  0.79210582  0.51911444
   0.37938566  0.98461685  0.79390274
   0.44670689  0.89910360  0.61940359
   0.17215086  0.92157582  0.67026049
   0.28582101  0.66709583 -0.04697287
   0.02600478  0.66910439  0.90849727
   0.59402386  0.06256730  0.09990455
   0.84709288  0.18348496  0.23864334
   0.62221270  0.32120856  0.02164282
   0.85179725  0.44112638  0.37943610
   0.03226225  0.35334206  0.19170022
   0.76032098  0.42870452  0.16317876
   0.73277656  0.15631013  0.40584290
   0.47322617  0.10928534  0.44671149
   0.65896055  0.07795633  0.57673019
   0.82158547  0.21591654  0.79277275
   0.59404427  0.34418855  0.51624164
   0.87223492  0.45760365  0.83962075
   0.96141615  0.43529147  0.65400006
   0.70757315  0.41326917  0.68335302
   0.74868436  0.08398071  0.94294497
   0.48359050  0.09711796  0.93576883
   0.54647006  0.54710942  0.07554762
   0.87859596  0.70405687  0.28917382
   0.61920608  0.80204029  0.04251219
   0.88327376  0.95795641  0.34306099
   0.91801349  0.89775541  0.14782316
   0.68614835  0.87718401  0.22504657
   0.81709075  0.66778360  0.45124019
   0.56682203  0.57334674  0.39329619
   0.61580439  0.60525377  0.57541990
   0.80750014  0.70243989  0.80158611
   0.60739322  0.82826712  0.43797448
   0.91506934  0.96161908  0.83255794
   0.92314425  0.85687404  0.65753577
   0.69101745  0.93272834  0.72718709
   0.78033978  0.60957893  0.98474838
   0.53850461  0.65428049  0.89961661
   0.67924254  0.81646474  0.58762141
   0.52549881  0.88277377  0.44104634
   0.87328815  0.23960693  0.07230470
   0.92430606  0.36593352  0.37510835
   0.29933370  0.11732066  0.62782243
   0.37660788  0.80171368  0.76837816
   0.19841931  1.08458738  0.18795393
   0.20395833  1.07440892  0.01547565
   0.63580649  0.38824671  0.85809258
   0.87950179  0.43017258  0.61678766
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921992   -0.002128   -0.073060
    -0.000000    9.823680    0.119191
    -0.000000    0.000000   13.930334
   Si   O    H 
    32    64    10
Direct configuration=  1869
   0.15855849  0.18302214 -0.04512438
   0.34742767  0.07401010  0.37741316
   0.14961037  0.39943412  0.11661419
   0.39091121  0.32692557  0.25711618
   0.09109706  0.16475083  0.49033993
   0.40292718  0.12886471  0.84177476
   0.11989291  0.41829210  0.62668461
   0.37472000  0.37772107  0.75109200
   0.13017451  0.67025484 -0.00327071
   0.41319299  0.58388651  0.36561042
   0.08351960  0.90557687  0.13851750
   0.34138626  0.82207865  0.24685494
   0.16045961  0.65436535  0.47987911
   0.38410752  0.62253993  0.87002647
   0.04900471  0.90162023  0.59486533
   0.32641639  0.98775598  0.67672341
   0.61875083  0.14413143  1.00182209
   0.86384607  0.12098522  0.35020006
   0.61508735  0.41207252  0.12334656
   0.86742679  0.30802890  0.16698279
   0.61810505  0.17746138  0.48445066
   0.88082711  0.10548583  0.87443619
   0.58937138  0.45291894  0.60784825
   0.74752032  0.35897901  0.79919591
   0.62166990  0.65254821 -0.00267219
   0.91083429  0.59139694  0.37450796
   0.58720594  0.89711779  0.13063434
   0.84508085  0.85547953  0.25411873
   0.65288512  0.67660314  0.47343397
   0.87110374  0.60661324  0.88454452
   0.61210298  0.93733160  0.62529357
   0.83105727  0.86293833  0.75490728
   0.11842742  0.07391802  0.14646604
   0.34150160  0.16915739  0.28357832
   0.16546746  0.33049438  0.01262344
   0.37610797  0.41108696  0.35491039
   0.53429076  0.33805712  0.21047475
   0.28064959  0.37665038  0.18086892
   0.23850383  0.09717404  0.46143305
  -0.01201363  0.20208543  0.39759962
   0.00654383  0.05082340  0.55585521
   0.47353293  0.24485185  0.77636120
   0.12742234  0.30989949  0.53276748
   0.36726912  0.45830997  0.85565508
   0.44364372  0.46279506  0.66356221
   0.21810211  0.36059465  0.71528277
   0.25350370  0.20424161 -0.14454464
   0.00609511  0.15867624  0.93082202
   0.11746109  0.55279673  0.07618977
   0.38754648  0.65810355  0.25158625
   0.11353371  0.82753095  0.03598143
   0.33720918  0.90719001  0.35352409
   0.43463251  0.87590610  0.16322394
   0.17515060  0.83744537  0.22701082
   0.30887906  0.66427482  0.43428577
   0.07369737  0.58986692  0.39303326
   0.16881111  0.56046859  0.57985995
   0.34820349  0.70819820  0.76808403
   0.09977694  0.79246856  0.51934537
   0.37904978  0.98205067  0.79427715
   0.44794435  0.89821879  0.62051719
   0.17121554  0.91976514  0.66988926
   0.28525213  0.66637703 -0.04678615
   0.02755463  0.66770168  0.90827895
   0.59358374  0.06267046  0.10006955
   0.84724863  0.18236677  0.23885171
   0.62125778  0.32061884  0.02075367
   0.85337851  0.44055505  0.37822580
   0.03063758  0.35199357  0.19144379
   0.76210833  0.43052162  0.16428392
   0.73342882  0.15829283  0.40636759
   0.47311337  0.10993551  0.44701917
   0.65697154  0.07970970  0.57726159
   0.82149237  0.21483634  0.79297154
   0.59564781  0.34531580  0.51689707
   0.87139042  0.45595172  0.83940447
   0.96048166  0.43502785  0.65485683
   0.70832486  0.41332169  0.68324840
   0.74742246  0.08539523  0.94266067
   0.48382827  0.09636272  0.93767649
   0.54399112  0.54716703  0.07416183
   0.88021247  0.70321355  0.28852673
   0.61937601  0.80197953  0.04273425
   0.88255198  0.95903063  0.34285254
   0.91766215  0.89643214  0.14802632
   0.68587873  0.87726534  0.22472945
   0.81754761  0.66990692  0.45165856
   0.56593127  0.57345144  0.39291892
   0.61508284  0.60344924  0.57505084
   0.80661059  0.70244444  0.80160476
   0.60697722  0.82795256  0.43809175
   0.91374649  0.96185522  0.83384021
   0.92125687  0.85544814  0.65663774
   0.69109917  0.93302229  0.72772539
   0.78270437  0.60975241  0.98427902
   0.53816281  0.65301013  0.89873254
   0.67592957  0.80934117  0.58854591
   0.52540395  0.88414014  0.44191240
   0.87234155  0.24297514  0.07017331
   0.91816893  0.36558249  0.37432626
   0.30045758  0.11047631  0.62967863
   0.37786829  0.79590716  0.76939636
   0.20235482  1.08074071  0.18597058
   0.20679969  1.07308254  0.01564697
   0.63882631  0.38450865  0.86204848
   0.87781963  0.43413148  0.61853541
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923619   -0.003669   -0.072580
    -0.000000    9.825020    0.115965
    -0.000000    0.000000   13.930375
   Si   O    H 
    32    64    10
Direct configuration=  1870
   0.15796756  0.18300597 -0.04700725
   0.34561397  0.07383892  0.37778580
   0.14967907  0.39927727  0.11680544
   0.39254071  0.32699211  0.25715306
   0.09125226  0.16319913  0.49083766
   0.40292998  0.12723444  0.84075476
   0.12071445  0.41853769  0.62742886
   0.37364363  0.37832176  0.75078111
   0.12987487  0.67186567 -0.00295706
   0.41234428  0.58260899  0.36533512
   0.08342919  0.90583202  0.13864788
   0.34285351  0.82196460  0.24724933
   0.16088278  0.65372844  0.47949717
   0.38335800  0.62068263  0.87038717
   0.04764635  0.90083262  0.59483038
   0.32600954  0.98733641  0.67685909
   0.61913480  0.14462306  1.00150622
   0.86304080  0.12100379  0.34949636
   0.61535777  0.41134547  0.12283604
   0.86863785  0.30802030  0.16676236
   0.61940527  0.17735950  0.48446536
   0.88135445  0.10550573  0.87409654
   0.59020087  0.45266478  0.60859805
   0.74837145  0.36007662  0.79878245
   0.62170156  0.65187445 -0.00312606
   0.91097283  0.59194108  0.37370947
   0.58688658  0.89634019  0.13106567
   0.84409381  0.85480088  0.25460554
   0.65356921  0.67705319  0.47337944
   0.87026038  0.60511284  0.88494763
   0.61251115  0.93761838  0.62556291
   0.83130586  0.86126577  0.75525974
   0.11968635  0.07472656  0.14479092
   0.34043605  0.16986457  0.28384913
   0.16554924  0.33051146  0.01203439
   0.37534297  0.41061928  0.35463181
   0.53314066  0.33831685  0.21022237
   0.28087878  0.37774566  0.18063124
   0.23737278  0.09603136  0.46147690
  -0.01208832  0.20268711  0.39652600
   0.00907126  0.04899044  0.55572412
   0.47300477  0.24551763  0.77506219
   0.12701070  0.30936971  0.53478179
   0.36793165  0.45836270  0.85589479
   0.44370181  0.46069998  0.66215200
   0.21791122  0.35767403  0.71575773
   0.25350033  0.20245318 -0.14569826
   0.00445876  0.15890499  0.92979872
   0.11663140  0.55227161  0.07552372
   0.38641167  0.65944427  0.25108559
   0.11112315  0.82547407  0.03470108
   0.33559061  0.90712495  0.35398545
   0.43454110  0.87550202  0.16185097
   0.17567860  0.83801146  0.22594087
   0.30888921  0.66393959  0.43413053
   0.07290425  0.58910765  0.39305690
   0.16999563  0.55897901  0.57900877
   0.34836921  0.70804724  0.76657631
   0.09860510  0.79267881  0.51935990
   0.37794408  0.97887185  0.79394923
   0.44945077  0.89834080  0.62140525
   0.17074759  0.91744917  0.66957740
   0.28520068  0.66544936 -0.04609274
   0.02847143  0.66589743  0.90775691
   0.59337700  0.06193667  0.09965756
   0.84667613  0.18152330  0.23906812
   0.62007912  0.31907254  0.02018480
   0.85453023  0.44015896  0.37667438
   0.02817839  0.35153576  0.19138753
   0.76423225  0.43233772  0.16541445
   0.73419483  0.16060796  0.40679287
   0.47368449  0.11151985  0.44791813
   0.65554540  0.08123023  0.57829259
   0.82080916  0.21293983  0.79326785
   0.59704244  0.34631043  0.51820938
   0.87111430  0.45444166  0.83905744
   0.96062991  0.43549757  0.65549836
   0.70858869  0.41296193  0.68376164
   0.74648684  0.08695871  0.94229408
   0.48394822  0.09544125  0.93937583
   0.54215786  0.54730019  0.07317678
   0.88136315  0.70249610  0.28775310
   0.61984752  0.80257987  0.04299838
   0.88209476  0.95980365  0.34273116
   0.91729933  0.89592198  0.14850725
   0.68562377  0.87693744  0.22424418
   0.81786144  0.67127943  0.45267368
   0.56497355  0.57358230  0.39359188
   0.61452137  0.60310214  0.57499590
   0.80544125  0.70346857  0.80131599
   0.60651855  0.82854698  0.43820519
   0.91242587  0.96105392  0.83471708
   0.92027356  0.85361419  0.65582174
   0.69091293  0.93310303  0.72830846
   0.78417353  0.60905780  0.98359413
   0.53754321  0.65206077  0.89748899
   0.67356164  0.80688112  0.59104729
   0.52560631  0.88454343  0.44254637
   0.87064041  0.24831376  0.07000802
   0.91074160  0.36853757  0.37524409
   0.30153380  0.10762245  0.63004314
   0.38475770  0.80411868  0.77056051
   0.20330741  1.08147192  0.18355178
   0.21115819  1.07118451  0.01257306
   0.64160731  0.37783226  0.86739432
   0.87512544  0.43708324  0.62077340
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924763   -0.005787   -0.072744
    -0.000000    9.826219    0.112847
    -0.000000    0.000000   13.930738
   Si   O    H 
    32    64    10
Direct configuration=  1871
   0.15807626  0.18380371 -0.04844009
   0.34430376  0.07341896  0.37865866
   0.14940306  0.39954203  0.11674284
   0.39331589  0.32715457  0.25695957
   0.09074329  0.16184069  0.49128647
   0.40286870  0.12566513  0.83999343
   0.12131184  0.41833194  0.62830640
   0.37203781  0.37870359  0.75039809
   0.13009588  0.67320628 -0.00286062
   0.41149540  0.58144043  0.36486064
   0.08377162  0.90616167  0.13860705
   0.34377240  0.82210032  0.24765540
   0.16193377  0.65358123  0.47910294
   0.38182535  0.61960894  0.87078990
   0.04619553  0.90023499  0.59464471
   0.32520943  0.98669505  0.67701288
   0.61944818  0.14503828  1.00129343
   0.86212235  0.12096259  0.34870358
   0.61504240  0.41092015  0.12169693
   0.86990587  0.30806697  0.16661105
   0.61970616  0.17725189  0.48468326
   0.88165111  0.10632005  0.87378103
   0.59051042  0.45252924  0.60929435
   0.74936242  0.36070524  0.79839372
   0.62149433  0.65120782 -0.00335249
   0.91095322  0.59336093  0.37298539
   0.58701173  0.89585116  0.13132748
   0.84321376  0.85517209  0.25481345
   0.65435792  0.67641883  0.47322165
   0.86952363  0.60407450  0.88546992
   0.61349361  0.93791494  0.62576315
   0.83150782  0.85936530  0.75546277
   0.12107356  0.07503352  0.14330506
   0.33967340  0.17065951  0.28398496
   0.16574898  0.32980394  0.01087325
   0.37434621  0.41089776  0.35479923
   0.53309524  0.33858268  0.20929792
   0.28149329  0.37910144  0.17962752
   0.23562040  0.09457268  0.46118718
  -0.01137679  0.20324821  0.39613439
   0.01146666  0.04825862  0.55544226
   0.47299991  0.24635778  0.77393490
   0.12542333  0.30823237  0.53657741
   0.36845014  0.45836636  0.85511023
   0.44423286  0.45813589  0.66071915
   0.21722504  0.35451337  0.71555828
   0.25391947  0.20034337 -0.14615936
   0.00324084  0.15878400  0.92913704
   0.11647027  0.55172636  0.07463335
   0.38546955  0.66112565  0.25078058
   0.10950944  0.82353918  0.03351031
   0.33364894  0.90739748  0.35430374
   0.43413690  0.87569306  0.16033207
   0.17690982  0.83790770  0.22451433
   0.30987528  0.66378515  0.43380809
   0.07215570  0.58734771  0.39341154
   0.17163076  0.55872906  0.57784739
   0.34894168  0.70693665  0.76611183
   0.09711073  0.79324869  0.51852428
   0.37752694  0.97492875  0.79377975
   0.45030026  0.89929907  0.62220734
   0.17087063  0.91556101  0.66931217
   0.28525040  0.66396476 -0.04545213
   0.02904315  0.66429729  0.90698855
   0.59276693  0.05992574  0.09911730
   0.84627440  0.18108788  0.23952233
   0.61918520  0.31622409  0.01989445
   0.85480628  0.44056626  0.37464502
   0.02579570  0.35142378  0.19184829
   0.76707091  0.43372331  0.16698871
   0.73482925  0.16262580  0.40686872
   0.47433858  0.11310039  0.44837563
   0.65452384  0.08249896  0.57897596
   0.82120235  0.21196090  0.79252243
   0.59862467  0.34656616  0.51962367
   0.87109378  0.45267152  0.83853711
   0.96110951  0.43611404  0.65593673
   0.70985856  0.41180735  0.68440836
   0.74545420  0.08874499  0.94173435
   0.48450902  0.09531222  0.94144567
   0.54076941  0.54700874  0.07276001
   0.88274326  0.70232648  0.28666761
   0.61958413  0.80332945  0.04275344
   0.88194049  0.96003946  0.34250849
   0.91726894  0.89499207  0.14929112
   0.68476481  0.87506876  0.22431255
   0.81894410  0.67154234  0.45364374
   0.56478894  0.57446108  0.39385696
   0.61373110  0.60316653  0.57459005
   0.80475581  0.70396048  0.80106497
   0.60602754  0.82859688  0.43876120
   0.91139003  0.95938336  0.83547970
   0.91932626  0.85141848  0.65556451
   0.69088636  0.93315765  0.72866843
   0.78604589  0.60845024  0.98317849
   0.53680962  0.65117334  0.89622362
   0.67569161  0.80825786  0.59266246
   0.52359724  0.88190398  0.44602218
   0.87136659  0.25450244  0.07017838
   0.91288895  0.35698738  0.37523135
   0.30254425  0.11309362  0.63059417
   0.38939863  0.80772149  0.77123603
   0.20169521  1.08422889  0.18299072
   0.21604092  1.06699798  0.00854028
   0.64716103  0.36839399  0.87218676
   0.87284232  0.44047518  0.62243647
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926157   -0.007273   -0.073360
    -0.000000    9.827730    0.110201
    -0.000000    0.000000   13.931396
   Si   O    H 
    32    64    10
Direct configuration=  1872
   0.15783740  0.18456731 -0.04950480
   0.34317739  0.07278396  0.37977232
   0.14887121  0.39950944  0.11669028
   0.39345331  0.32725973  0.25654893
   0.09009540  0.16101520  0.49169323
   0.40291586  0.12454671  0.83944740
   0.12181147  0.41779847  0.62892935
   0.37090178  0.37917919  0.75031308
   0.13063554  0.67471102 -0.00302498
   0.41070242  0.58020998  0.36435984
   0.08394777  0.90651754  0.13840126
   0.34383947  0.82179549  0.24849597
   0.16241616  0.65340351  0.47894196
   0.38086496  0.61919844  0.87093739
   0.04474728  0.90038793  0.59483881
   0.32404518  0.98580027  0.67703991
   0.61974511  0.14523908  1.00156910
   0.86160186  0.12009101  0.34788545
   0.61439677  0.41031989  0.12049952
   0.87176467  0.30762152  0.16629503
   0.61911001  0.17744794  0.48560530
   0.88176550  0.10642167  0.87316679
   0.59074153  0.45262120  0.61035637
   0.75036865  0.36243276  0.79737283
   0.62171712  0.65036724 -0.00318145
   0.91140723  0.59445737  0.37254832
   0.58770796  0.89578153  0.13170142
   0.84251183  0.85553063  0.25480475
   0.65580476  0.67586917  0.47289189
   0.86942622  0.60365514  0.88548531
   0.61412718  0.93764377  0.62582398
   0.83124011  0.85780116  0.75564300
   0.12246860  0.07507116  0.14188737
   0.33947965  0.17185078  0.28384724
   0.16562860  0.32818552  0.01011909
   0.37333142  0.41196788  0.35513432
   0.53325340  0.33871501  0.20766107
   0.28266363  0.38046378  0.17891884
   0.23327947  0.09327415  0.46105969
  -0.01032210  0.20354955  0.39600248
   0.01314170  0.04800551  0.55474427
   0.47272676  0.24688064  0.77271991
   0.12390174  0.30580640  0.53809062
   0.36899474  0.45808292  0.85400879
   0.44430636  0.45615531  0.65936938
   0.21642596  0.35212742  0.71504147
   0.25438673  0.19820943 -0.14673530
   0.00233897  0.15923467  0.92840707
   0.11615336  0.55155755  0.07419008
   0.38516994  0.66218902  0.25073917
   0.10760928  0.82236538  0.03269678
   0.33205549  0.90762035  0.35417788
   0.43343762  0.87575067  0.15908704
   0.17785442  0.83784751  0.22330858
   0.31073895  0.66346824  0.43285984
   0.07137805  0.58571976  0.39415682
   0.17335195  0.55857579  0.57665751
   0.35030985  0.70601997  0.76619406
   0.09489861  0.79351520  0.51741757
   0.37685677  0.97256113  0.79282395
   0.44976105  0.90091691  0.62311874
   0.17177743  0.91455672  0.66926109
   0.28486877  0.66352200 -0.04489645
   0.02864031  0.66238453  0.90623149
   0.59307711  0.05697630  0.09910814
   0.84519800  0.18052440  0.23964465
   0.61859914  0.31321763  0.02009032
   0.85505662  0.44187242  0.37261411
   0.02375150  0.35255716  0.19178103
   0.76864744  0.43561018  0.16846018
   0.73506292  0.16416780  0.40659904
   0.47509788  0.11406665  0.44875411
   0.65365858  0.08385163  0.57990731
   0.82172377  0.21150480  0.79205301
   0.60023248  0.34602259  0.52073624
   0.87216042  0.45210897  0.83849448
   0.96090895  0.43637633  0.65661816
   0.71148117  0.41080761  0.68529972
   0.74476453  0.09022318  0.94106678
   0.48500456  0.09530821  0.94278665
   0.53999706  0.54763827  0.07250109
   0.88478788  0.70217616  0.28526504
   0.61869687  0.80399992  0.04298240
   0.88097383  0.96024931  0.34214518
   0.91763828  0.89254615  0.15002224
   0.68365960  0.87328854  0.22505971
   0.81981172  0.67154985  0.45453971
   0.56521820  0.57464650  0.39452350
   0.61302876  0.60368778  0.57439041
   0.80333226  0.70400520  0.80073774
   0.60536929  0.82819175  0.43870204
   0.90935730  0.95719027  0.83613363
   0.91872180  0.84836074  0.65581764
   0.69054916  0.93353067  0.72917885
   0.78722753  0.60814181  0.98230684
   0.53698511  0.65088073  0.89516374
   0.67752721  0.80939671  0.59535345
   0.52384639  0.88206208  0.45029466
   0.87057884  0.25847269  0.06678697
   0.91674218  0.35116282  0.37578276
   0.30695390  0.12593070  0.63036142
   0.38845194  0.79869960  0.77147851
   0.20098971  1.08993077  0.18322411
   0.22237380  1.06548764  0.00010501
   0.65100114  0.35958955  0.87349510
   0.87663974  0.44168105  0.62592534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927451   -0.009347   -0.074097
    -0.000000    9.829122    0.107648
    -0.000000    0.000000   13.931635
   Si   O    H 
    32    64    10
Direct configuration=  1873
   0.15806246  0.18527305 -0.05044044
   0.34293317  0.07202641  0.38088702
   0.14839342  0.39986865  0.11640954
   0.39341088  0.32679964  0.25637879
   0.08958487  0.16058874  0.49203172
   0.40328503  0.12349058  0.83915591
   0.12202215  0.41715297  0.62950449
   0.36986242  0.37961764  0.75026619
   0.13199827  0.67602678 -0.00282782
   0.40965141  0.57799011  0.36386841
   0.08402341  0.90708497  0.13805797
   0.34342570  0.82135428  0.24906943
   0.16277980  0.65325830  0.47900524
   0.37980421  0.61853585  0.87092094
   0.04390089  0.90035110  0.59526493
   0.32287926  0.98496388  0.67685096
   0.61969403  0.14567273  1.00173553
   0.86192357  0.11999175  0.34726379
   0.61334391  0.40987017  0.11892228
   0.87357775  0.30721760  0.16571468
   0.61783587  0.17799785  0.48667884
   0.88123454  0.10637518  0.87247104
   0.59039046  0.45250004  0.61124565
   0.75129178  0.36383027  0.79625504
   0.62149124  0.64976120 -0.00288747
   0.91156190  0.59581686  0.37255822
   0.58838634  0.89640892  0.13197627
   0.84188288  0.85576869  0.25498673
   0.65796344  0.67535547  0.47257836
   0.86972635  0.60376323  0.88535787
   0.61430088  0.93687214  0.62576850
   0.83098676  0.85676317  0.75561342
   0.12258153  0.07505741  0.14086573
   0.33884852  0.17240941  0.28372375
   0.16513816  0.32675707  0.00977752
   0.37197785  0.41399076  0.35643854
   0.53387799  0.33844375  0.20597015
   0.28319932  0.38147086  0.17805394
   0.23106561  0.09233740  0.46158969
  -0.00922135  0.20384104  0.39616236
   0.01394850  0.04834115  0.55360072
   0.47218036  0.24710853  0.77148144
   0.12164423  0.30366095  0.54065670
   0.36926571  0.45769155  0.85313363
   0.44435067  0.45470813  0.65793355
   0.21617015  0.35016944  0.71481051
   0.25481682  0.19524511 -0.14719953
   0.00235312  0.15991931  0.92779101
   0.11689752  0.55184923  0.07411906
   0.38523625  0.66264380  0.25088768
   0.10566797  0.82196229  0.03278013
   0.33037035  0.90799343  0.35313221
   0.43301692  0.87594963  0.15816969
   0.17885722  0.83731305  0.22241529
   0.31138080  0.66376581  0.43148003
   0.07031077  0.58402357  0.39504668
   0.17535341  0.55878815  0.57585632
   0.35124269  0.70481098  0.76605952
   0.09264690  0.79343739  0.51638849
   0.37694622  0.97152698  0.79214392
   0.44889401  0.90166809  0.62372435
   0.17369242  0.91454179  0.66962481
   0.28476459  0.66280006 -0.04445401
   0.02847008  0.66006190  0.90530961
   0.59424478  0.05405954  0.09960624
   0.84320270  0.18072193  0.23989986
   0.61830792  0.31030783  0.02097555
   0.85504890  0.44344724  0.37042379
   0.02246528  0.35360454  0.19111365
   0.76997001  0.43791985  0.16941973
   0.73448846  0.16529054  0.40655879
   0.47717842  0.11413462  0.44946445
   0.65208271  0.08511187  0.58120872
   0.82232670  0.21158585  0.79128885
   0.60173263  0.34441496  0.52191279
   0.87340998  0.45128947  0.83876104
   0.96208060  0.43620590  0.65749652
   0.71362733  0.40943266  0.68627408
   0.74438951  0.09070967  0.94034540
   0.48578970  0.09522507  0.94343709
   0.54002389  0.54769966  0.07210315
   0.88695119  0.70319640  0.28428369
   0.61773811  0.80405744  0.04330738
   0.88037338  0.95976937  0.34233852
   0.91817257  0.88997811  0.15171123
   0.68338218  0.87061185  0.22480372
   0.81982044  0.67210487  0.45538370
   0.56654652  0.57432925  0.39542441
   0.61313141  0.60458964  0.57388881
   0.80249035  0.70475050  0.80077331
   0.60480539  0.82802290  0.43857432
   0.90659326  0.95393112  0.83599950
   0.91869039  0.84523452  0.65638266
   0.69014395  0.93353164  0.72942660
   0.78786810  0.60781499  0.98158236
   0.53711175  0.65035714  0.89417677
   0.68156096  0.81361130  0.59674325
   0.52657883  0.88132869  0.45474788
   0.87295094  0.25899759  0.06406350
   0.91355061  0.35805254  0.37532193
   0.31284320  0.13362713  0.63016352
   0.38856797  0.78527974  0.76981736
   0.20067872  1.09423410  0.18467703
   0.22976452  1.06477854 -0.00914403
   0.65267587  0.35669526  0.87078959
   0.87247236  0.44276614  0.62549982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928202   -0.012146   -0.074413
    -0.000000    9.830038    0.104611
    -0.000000    0.000000   13.931909
   Si   O    H 
    32    64    10
Direct configuration=  1874
   0.15856458  0.18563174 -0.05136850
   0.34300644  0.07114449  0.38156076
   0.14764715  0.40008514  0.11607772
   0.39254883  0.32699026  0.25641086
   0.08846836  0.16019311  0.49194522
   0.40423086  0.12323914  0.83922437
   0.12256565  0.41606865  0.63012162
   0.36871222  0.38076990  0.75003309
   0.13293477  0.67677196 -0.00331593
   0.40888321  0.57608310  0.36361591
   0.08393829  0.90770134  0.13750089
   0.34272277  0.82119237  0.24967373
   0.16305138  0.65315534  0.47870702
   0.37830795  0.61863655  0.87023181
   0.04354832  0.89979365  0.59591792
   0.32186603  0.98443561  0.67657215
   0.61939204  0.14587255  1.00160807
   0.86243337  0.12053565  0.34680471
   0.61268288  0.40958659  0.11776370
   0.87530856  0.30660357  0.16505645
   0.61668357  0.17932973  0.48774989
   0.87966134  0.10606979  0.87215343
   0.59007964  0.45265367  0.61177740
   0.75259815  0.36443977  0.79515768
   0.62135863  0.64979577 -0.00296906
   0.91181466  0.59706831  0.37254728
   0.58884328  0.89759577  0.13228705
   0.84112221  0.85543744  0.25528722
   0.65953006  0.67539578  0.47238755
   0.87105653  0.60427902  0.88460036
   0.61479932  0.93596727  0.62608745
   0.83114719  0.85589316  0.75563556
   0.12290083  0.07467524  0.13964066
   0.33830061  0.17271435  0.28403419
   0.16445731  0.32510084  0.00939615
   0.37212293  0.41559730  0.35805734
   0.53431946  0.33784399  0.20478228
   0.28400717  0.38284750  0.17713013
   0.22894674  0.09119834  0.46210205
  -0.00769432  0.20376402  0.39659613
   0.01365393  0.04929807  0.55313544
   0.47144951  0.24738286  0.77102670
   0.11950643  0.30187382  0.54325050
   0.36885564  0.45670752  0.85195379
   0.44335742  0.45353807  0.65636589
   0.21547382  0.34820751  0.71460604
   0.25505201  0.19265294 -0.14720577
   0.00250833  0.16076907  0.92757621
   0.11757521  0.55248519  0.07429765
   0.38550120  0.66250590  0.25137162
   0.10372518  0.82303922  0.03369266
   0.32855716  0.90823440  0.35198286
   0.43235853  0.87666608  0.15760247
   0.18044265  0.83606870  0.22079777
   0.31199734  0.66406289  0.42977620
   0.07079633  0.58306771  0.39651651
   0.17753882  0.55892215  0.57518073
   0.35193237  0.70247826  0.76632610
   0.09038689  0.79414476  0.51557327
   0.37790695  0.97117915  0.79107139
   0.44805652  0.90215469  0.62432581
   0.17537842  0.91492451  0.67038910
   0.28395986  0.66203142 -0.04358541
   0.02787898  0.65735169  0.90453495
   0.59547804  0.05164533  0.10122139
   0.84143545  0.18071342  0.24035525
   0.61814002  0.30746562  0.02249398
   0.85511589  0.44541398  0.36811903
   0.02220181  0.35473563  0.19018064
   0.77154008  0.43954201  0.16995232
   0.73430064  0.16651069  0.40628800
   0.47908663  0.11413095  0.44956078
   0.65038323  0.08540144  0.58238293
   0.82382723  0.21209490  0.79040636
   0.60312810  0.34288761  0.52274888
   0.87441091  0.45095457  0.83986908
   0.96397361  0.43512347  0.65867666
   0.71451432  0.40868556  0.68697393
   0.74435590  0.09140017  0.93997261
   0.48642187  0.09604411  0.94390190
   0.54053834  0.54759311  0.07255940
   0.88861605  0.70355569  0.28353723
   0.61704438  0.80378292  0.04316720
   0.88039031  0.95913968  0.34248022
   0.91904666  0.88860182  0.15364965
   0.68345016  0.86819234  0.22527936
   0.82061408  0.67221050  0.45611709
   0.56810117  0.57422081  0.39579270
   0.61322116  0.60666172  0.57341211
   0.80182502  0.70599680  0.80066798
   0.60442490  0.82751352  0.43882073
   0.90431097  0.95078192  0.83480471
   0.91837077  0.84195820  0.65698676
   0.69028974  0.93333777  0.72978594
   0.78741476  0.60688630  0.98131889
   0.53663211  0.64996330  0.89307889
   0.68235109  0.82023072  0.59573362
   0.53006469  0.88209483  0.45924150
   0.87258046  0.25784289  0.06245502
   0.90859078  0.37282068  0.37390638
   0.31836692  0.13350628  0.63300901
   0.40102838  0.79449010  0.76879844
   0.19894338  1.10072756  0.18657389
   0.23406174  1.06499059 -0.01562338
   0.65047249  0.35519272  0.87002925
   0.87646361  0.44421770  0.62669066
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928883   -0.014682   -0.074706
    -0.000000    9.830583    0.101480
    -0.000000    0.000000   13.932029
   Si   O    H 
    32    64    10
Direct configuration=  1875
   0.15899584  0.18496269 -0.05218039
   0.34381855  0.07038711  0.38219914
   0.14683052  0.40028052  0.11631636
   0.39168390  0.32705998  0.25603296
   0.08788066  0.15986395  0.49194646
   0.40536261  0.12274621  0.83950067
   0.12251676  0.41532567  0.63061735
   0.36824401  0.38220088  0.74950657
   0.13372980  0.67690894 -0.00423717
   0.40791099  0.57419029  0.36335527
   0.08329516  0.90845398  0.13675168
   0.34156545  0.82052981  0.25061023
   0.16325946  0.65305866  0.47868498
   0.37660828  0.61882340  0.86945515
   0.04329563  0.90006851  0.59634754
   0.32116540  0.98395192  0.67632096
   0.61901975  0.14585665  1.00121016
   0.86337707  0.12168913  0.34655848
   0.61196626  0.40959058  0.11655326
   0.87635919  0.30649848  0.16418804
   0.61547632  0.18039915  0.48892959
   0.87789720  0.10592654  0.87187922
   0.59049706  0.45227808  0.61164724
   0.75388843  0.36514619  0.79429020
   0.62169295  0.65000085 -0.00255184
   0.91239469  0.59850405  0.37276058
   0.58949428  0.89816006  0.13269841
   0.84081534  0.85491187  0.25592805
   0.66083599  0.67570896  0.47228945
   0.87259041  0.60504299  0.88331842
   0.61516860  0.93526346  0.62662103
   0.83155568  0.85577063  0.75527252
   0.12256942  0.07426458  0.13908888
   0.33756958  0.17374445  0.28440146
   0.16434745  0.32340336  0.00887021
   0.37184141  0.41742193  0.35946184
   0.53514488  0.33704319  0.20404936
   0.28521939  0.38349010  0.17622912
   0.22673254  0.08997134  0.46229711
  -0.00634875  0.20369443  0.39743163
   0.01281423  0.05074997  0.55318825
   0.47159592  0.24671622  0.77048663
   0.11841824  0.29984075  0.54605043
   0.36826509  0.45616763  0.85086779
   0.44234523  0.45250014  0.65480963
   0.21470073  0.34695526  0.71410402
   0.25474812  0.19047241 -0.14757603
   0.00391417  0.16177912  0.92765159
   0.11839076  0.55215633  0.07478568
   0.38604189  0.66177029  0.25224010
   0.10182046  0.82406369  0.03453663
   0.32711565  0.90907292  0.35053866
   0.43136326  0.87785724  0.15757669
   0.18157035  0.83511125  0.21940288
   0.31331729  0.66441371  0.42895946
   0.07095890  0.58272361  0.39773626
   0.18046246  0.55878343  0.57524081
   0.35252710  0.70078601  0.76704393
   0.08839640  0.79467839  0.51456405
   0.37894727  0.97151435  0.78948960
   0.44802345  0.90268223  0.62512072
   0.17667029  0.91543939  0.67105352
   0.28234033  0.66109530 -0.04274024
   0.02735948  0.65467994  0.90373028
   0.59723173  0.05048958  0.10205779
   0.83946552  0.18103940  0.24044070
   0.61734903  0.30500126  0.02467290
   0.85418434  0.44786722  0.36577837
   0.02226956  0.35523165  0.18851718
   0.77277595  0.44098075  0.17003745
   0.73284770  0.16771338  0.40598912
   0.48011257  0.11422296  0.44950795
   0.64890128  0.08544582  0.58378193
   0.82506865  0.21308016  0.78950285
   0.60450033  0.34161674  0.52339542
   0.87579277  0.45065698  0.84127861
   0.96645233  0.43318680  0.65963158
   0.71532957  0.40824653  0.68766066
   0.74459778  0.09195571  0.93974725
   0.48635737  0.09666462  0.94378525
   0.54131737  0.54732439  0.07289096
   0.89077760  0.70394785  0.28318076
   0.61640310  0.80287191  0.04251494
   0.88091900  0.95843923  0.34238175
   0.92049144  0.88702761  0.15551424
   0.68297766  0.86632615  0.22593823
   0.82087257  0.67293392  0.45650336
   0.56976188  0.57432023  0.39638782
   0.61280097  0.60827111  0.57295310
   0.80167243  0.70759864  0.80034457
   0.60456398  0.82724841  0.43929465
   0.90279773  0.94815788  0.83349492
   0.91839655  0.83846789  0.65750739
   0.69051287  0.93303121  0.73044041
   0.78636117  0.60620828  0.98127605
   0.53676194  0.65001816  0.89211411
   0.68424568  0.81918859  0.59184600
   0.53373909  0.88055647  0.46293537
   0.87274279  0.25698127  0.06157977
   0.91632170  0.37419778  0.37469644
   0.32525172  0.13153094  0.63754657
   0.40759448  0.79615407  0.76838800
   0.19501374  1.10824676  0.18294077
   0.23661647  1.06526873 -0.01716186
   0.64627380  0.35973513  0.86536613
   0.88292969  0.44271957  0.62755273
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929640   -0.016709   -0.075134
    -0.000000    9.831338    0.099271
    -0.000000    0.000000   13.932119
   Si   O    H 
    32    64    10
Direct configuration=  1876
   0.16008642  0.18425226 -0.05312352
   0.34422045  0.06990605  0.38281087
   0.14676306  0.40027558  0.11690836
   0.39094309  0.32727082  0.25575188
   0.08698551  0.15977900  0.49169254
   0.40606638  0.12266553  0.83948943
   0.12267314  0.41526010  0.63098164
   0.36744348  0.38281705  0.74929433
   0.13420972  0.67648814 -0.00485489
   0.40734264  0.57224185  0.36297706
   0.08272395  0.90951961  0.13575179
   0.34010782  0.82052878  0.25123439
   0.16362226  0.65337093  0.47841396
   0.37594184  0.61971521  0.86863218
   0.04311045  0.90065570  0.59653778
   0.32088367  0.98347696  0.67680500
   0.61889267  0.14546833  1.00094549
   0.86414839  0.12349024  0.34647428
   0.61212260  0.40982290  0.11524899
   0.87705173  0.30616502  0.16351279
   0.61425553  0.18167085  0.48963779
   0.87563993  0.10618088  0.87151309
   0.59092175  0.45152205  0.61177539
   0.75437542  0.36532329  0.79350632
   0.62244980  0.64999600 -0.00212785
   0.91294896  0.59983351  0.37253647
   0.58980613  0.89824976  0.13371101
   0.84065992  0.85428087  0.25687460
   0.66192266  0.67570047  0.47199634
   0.87426094  0.60613476  0.88228016
   0.61500538  0.93471971  0.62691586
   0.83199147  0.85503145  0.75454524
   0.12202159  0.07418699  0.13846648
   0.33716582  0.17434118  0.28475632
   0.16491735  0.32172699  0.00847385
   0.37170637  0.41843022  0.36038339
   0.53565119  0.33651475  0.20385007
   0.28609641  0.38427048  0.17561646
   0.22535174  0.08904182  0.46228922
  -0.00591605  0.20315340  0.39847058
   0.01194588  0.05200289  0.55303107
   0.47170994  0.24554901  0.77030803
   0.11746148  0.29844430  0.54846246
   0.36697192  0.45577320  0.85019174
   0.44092289  0.45179224  0.65383912
   0.21423513  0.34615939  0.71412240
   0.25395133  0.18861158 -0.14791498
   0.00504337  0.16237130  0.92793944
   0.11930043  0.55189975  0.07511788
   0.38697168  0.66032348  0.25368771
   0.10060925  0.82503029  0.03560077
   0.32624131  0.90982842  0.34907400
   0.43039439  0.87927654  0.15795852
   0.18229892  0.83470454  0.21857467
   0.31435993  0.66485724  0.42852114
   0.07048000  0.58248818  0.39926168
   0.18310018  0.55816392  0.57590091
   0.35314320  0.70051592  0.76818227
   0.08719689  0.79462594  0.51349201
   0.37974936  0.97244867  0.78759045
   0.44768243  0.90393098  0.62538446
   0.17675475  0.91536506  0.67164109
   0.28158139  0.66004004 -0.04255102
   0.02754646  0.65248847  0.90398046
   0.59979862  0.04931725  0.10232195
   0.83753081  0.18203209  0.24026860
   0.61720925  0.30272209  0.02751741
   0.85362179  0.45039949  0.36341289
   0.02289827  0.35629642  0.18700288
   0.77339491  0.44139375  0.17016016
   0.73095960  0.16893223  0.40567633
   0.48029126  0.11417496  0.44881082
   0.64699973  0.08566956  0.58442591
   0.82652481  0.21448585  0.78901454
   0.60587577  0.34117733  0.52411852
   0.87668033  0.45111231  0.84284317
   0.96871390  0.43152552  0.66085950
   0.71604652  0.40784622  0.68777210
   0.74440955  0.09250855  0.94005007
   0.48615254  0.09772839  0.94285316
   0.54247509  0.54712931  0.07298630
   0.89243546  0.70363051  0.28246611
   0.61571597  0.80211574  0.04170662
   0.88205466  0.95849442  0.34234753
   0.92204569  0.88481748  0.15721031
   0.68294478  0.86483208  0.22572795
   0.82037021  0.67400650  0.45644095
   0.57170835  0.57364990  0.39650751
   0.61170381  0.60961212  0.57308383
   0.80151242  0.70938174  0.80073893
   0.60468024  0.82651146  0.43937714
   0.90112829  0.94556164  0.83275965
   0.91908210  0.83553145  0.65822482
   0.69125969  0.93209206  0.73111637
   0.78399805  0.60587496  0.98144606
   0.53773029  0.64965978  0.89168892
   0.68615334  0.82010557  0.58671166
   0.53195047  0.87842346  0.46537081
   0.86983011  0.25600017  0.06360404
   0.92580337  0.37301422  0.37965132
   0.33050020  0.12293328  0.64392696
   0.40883557  0.78735288  0.76665984
   0.19153570  1.11325218  0.17982105
   0.23715596  1.06829436 -0.01716184
   0.63943820  0.36788851  0.85877283
   0.88741012  0.44207661  0.62519909
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930364   -0.018298   -0.075346
    -0.000000    9.832124    0.096743
    -0.000000    0.000000   13.932079
   Si   O    H 
    32    64    10
Direct configuration=  1877
   0.16086817  0.18378633 -0.05382315
   0.34456963  0.06923963  0.38330800
   0.14670630  0.40048930  0.11713299
   0.39019595  0.32750290  0.25535156
   0.08553921  0.16068995  0.49124328
   0.40665635  0.12261181  0.83949269
   0.12327610  0.41507560  0.63086662
   0.36740831  0.38279885  0.74905245
   0.13458991  0.67574464 -0.00550874
   0.40705204  0.57064425  0.36226010
   0.08249854  0.91038759  0.13453836
   0.33939710  0.82038345  0.25144701
   0.16466424  0.65371828  0.47812804
   0.37561871  0.62142132  0.86805179
   0.04328427  0.90078797  0.59667492
   0.32126437  0.98325417  0.67753268
   0.61872634  0.14502243  1.00058048
   0.86507197  0.12558783  0.34663510
   0.61316342  0.41010934  0.11420618
   0.87750324  0.30550801  0.16294788
   0.61318667  0.18231313  0.49019485
   0.87319912  0.10597406  0.87135141
   0.59192448  0.45106309  0.61162048
   0.75481184  0.36468122  0.79292709
   0.62327816  0.65016128 -0.00151714
   0.91362234  0.60126338  0.37306411
   0.58985303  0.89768209  0.13439203
   0.84070768  0.85404550  0.25739683
   0.66312467  0.67534364  0.47127941
   0.87547288  0.60778527  0.88124088
   0.61469753  0.93371239  0.62766345
   0.83205384  0.85401135  0.75324357
   0.12171499  0.07420438  0.13785066
   0.33729288  0.17457123  0.28545520
   0.16452763  0.32105568  0.00819538
   0.37211140  0.41827754  0.36150469
   0.53580672  0.33648938  0.20381605
   0.28707746  0.38441227  0.17496260
   0.22423000  0.08834084  0.46245760
  -0.00657270  0.20195551  0.40001505
   0.01041433  0.05317420  0.55347785
   0.47187990  0.24508306  0.77035495
   0.11745763  0.29727197  0.55033824
   0.36575054  0.45564441  0.84988374
   0.43845216  0.45107727  0.65329706
   0.21342137  0.34654504  0.71380227
   0.25359092  0.18669160 -0.14868344
   0.00595942  0.16288719  0.92843948
   0.11959557  0.55156150  0.07580400
   0.38789568  0.65898096  0.25554862
   0.09946134  0.82700220  0.03669058
   0.32596667  0.91070916  0.34786291
   0.42909042  0.88024705  0.15903745
   0.18219970  0.83476654  0.21789606
   0.31468727  0.66620006  0.42892604
   0.06965243  0.58166148  0.40078683
   0.18501750  0.55715729  0.57662365
   0.35502780  0.69982902  0.76871912
   0.08568336  0.79484442  0.51154645
   0.38045691  0.97380782  0.78675711
   0.44779766  0.90513413  0.62524846
   0.17627371  0.91429217  0.67181397
   0.28086226  0.65886550 -0.04205825
   0.02829698  0.65048896  0.90479942
   0.60246983  0.04964590  0.10170599
   0.83587264  0.18349019  0.23967038
   0.61671650  0.29960583  0.03048406
   0.85324915  0.45196423  0.36151998
   0.02474301  0.35771341  0.18587756
   0.77431611  0.44114909  0.16991088
   0.72994659  0.16975227  0.40606737
   0.47910887  0.11381325  0.44794975
   0.64480557  0.08558079  0.58471485
   0.82750591  0.21552315  0.78866201
   0.60661328  0.34009898  0.52431952
   0.87832891  0.45165529  0.84452893
   0.97151188  0.42945900  0.66219166
   0.71643376  0.40783071  0.68695725
   0.74491887  0.09301144  0.94080190
   0.48635758  0.09862180  0.94139234
   0.54348458  0.54714459  0.07305449
   0.89355078  0.70266786  0.28158481
   0.61547552  0.80067656  0.04111040
   0.88214958  0.95875345  0.34247493
   0.92353249  0.88366870  0.15972343
   0.68311551  0.86292632  0.22503861
   0.81959227  0.67593315  0.45640221
   0.57300197  0.57282541  0.39664232
   0.61010470  0.61077610  0.57273088
   0.80172240  0.71000437  0.80134748
   0.60447370  0.82592868  0.43950239
   0.89961903  0.94399921  0.83232610
   0.91953678  0.83266153  0.65861649
   0.69189467  0.93263269  0.73198494
   0.78147056  0.60592249  0.98120720
   0.53855303  0.64920774  0.89158636
   0.68783802  0.82178209  0.58166381
   0.52854026  0.87176121  0.46672611
   0.86943108  0.25219444  0.06696739
   0.92982682  0.37741319  0.38143440
   0.33444732  0.11639554  0.64866356
   0.40644552  0.77656228  0.76695292
   0.18814383  1.11789283  0.17355192
   0.23579343  1.06441336 -0.01285155
   0.63424218  0.37214826  0.85096122
   0.88704376  0.44141026  0.62160329
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930925   -0.019303   -0.075493
    -0.000000    9.833023    0.093457
    -0.000000    0.000000   13.932535
   Si   O    H 
    32    64    10
Direct configuration=  1878
   0.16165602  0.18269635 -0.05442798
   0.34517064  0.06848478  0.38357995
   0.14733151  0.40100844  0.11715819
   0.38914513  0.32801230  0.25508048
   0.08429198  0.16190651  0.49095202
   0.40728566  0.12259419  0.83985924
   0.12377047  0.41497471  0.63026780
   0.36670347  0.38245286  0.74866236
   0.13478353  0.67469278 -0.00591335
   0.40735204  0.57036917  0.36166552
   0.08229385  0.91088112  0.13385842
   0.33867650  0.82016978  0.25148608
   0.16637201  0.65332723  0.47829633
   0.37488456  0.62300951  0.86713714
   0.04321613  0.90107615  0.59685237
   0.32174808  0.98290537  0.67785046
   0.61889755  0.14391300  1.00002659
   0.86558860  0.12767155  0.34719487
   0.61402923  0.41046795  0.11373042
   0.87675616  0.30504381  0.16247589
   0.61249812  0.18227250  0.49081745
   0.87096841  0.10528709  0.87097579
   0.59244492  0.45034965  0.61130462
   0.75523251  0.36383047  0.79229432
   0.62367646  0.65031711 -0.00156910
   0.91393019  0.60308729  0.37362190
   0.58921043  0.89627562  0.13500525
   0.84112091  0.85407932  0.25777166
   0.66299204  0.67505845  0.47042903
   0.87683192  0.60913755  0.88060181
   0.61497120  0.93297808  0.62837104
   0.83177054  0.85305478  0.75198846
   0.12011225  0.07420316  0.13659446
   0.33702994  0.17430310  0.28582880
   0.16426884  0.32086952  0.00823320
   0.37295309  0.41704854  0.36210580
   0.53592430  0.33681750  0.20412460
   0.28789820  0.38413388  0.17442902
   0.22394902  0.08873541  0.46228221
  -0.00697737  0.20065008  0.40082587
   0.00850640  0.05415092  0.55393967
   0.47191129  0.24534590  0.77026588
   0.11734987  0.29579689  0.55178319
   0.36441336  0.45621263  0.84960596
   0.43656710  0.45038326  0.65307897
   0.21323609  0.34808486  0.71418938
   0.25287274  0.18521386 -0.14970383
   0.00564308  0.16328459  0.92908683
   0.12047114  0.55111685  0.07623967
   0.38863150  0.65733697  0.25796223
   0.09752514  0.82859555  0.03720218
   0.32605328  0.91161684  0.34662995
   0.42753416  0.88111336  0.16034705
   0.18164697  0.83507615  0.21672259
   0.31507901  0.66737232  0.42973735
   0.06846485  0.58032334  0.40248411
   0.18616640  0.55648014  0.57691447
   0.35651627  0.69829080  0.76890241
   0.08496508  0.79521561  0.50995147
   0.38068868  0.97555893  0.78647322
   0.44807566  0.90512696  0.62488456
   0.17598943  0.91338819  0.67269769
   0.28093974  0.65783821 -0.04203184
   0.02832112  0.64912850  0.90515241
   0.60449054  0.05104772  0.10068019
   0.83406628  0.18506930  0.23866944
   0.61607078  0.29653407  0.03305350
   0.85420801  0.45241263  0.35970327
   0.02714709  0.35914424  0.18467653
   0.77577561  0.44088539  0.16939569
   0.72964286  0.17011567  0.40663383
   0.47769880  0.11382969  0.44674113
   0.64276482  0.08568855  0.58499762
   0.82884822  0.21600996  0.78852708
   0.60682086  0.33908089  0.52474977
   0.87866658  0.45214869  0.84608629
   0.97405964  0.42782712  0.66323990
   0.71711541  0.40816267  0.68641881
   0.74610381  0.09373860  0.94127867
   0.48614099  0.09895707  0.93976100
   0.54432627  0.54780546  0.07337748
   0.89433906  0.70260963  0.28113442
   0.61521380  0.79936566  0.04037653
   0.88174555  0.95932774  0.34263740
   0.92480074  0.88253005  0.16180804
   0.68286159  0.86151367  0.22445121
   0.81902787  0.67782636  0.45605257
   0.57406626  0.57188626  0.39710975
   0.60817811  0.61214749  0.57192797
   0.80196830  0.71047165  0.80161751
   0.60523949  0.82611820  0.43905827
   0.89915607  0.94303913  0.83230058
   0.92031709  0.83065790  0.65856236
   0.69249456  0.93331165  0.73273169
   0.77907638  0.60650459  0.98116821
   0.53990637  0.64914624  0.89162528
   0.68778545  0.82488767  0.57964379
   0.52227736  0.86436612  0.46743831
   0.87096240  0.24695561  0.06916222
   0.92476038  0.39223666  0.37767222
   0.33579053  0.11545081  0.65050049
   0.41387946  0.77895573  0.76333869
   0.19135769  1.12513785  0.17196009
   0.23373229  1.06340783 -0.00841821
   0.63085830  0.37800522  0.84489771
   0.89582930  0.43940333  0.62043317
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931653   -0.020512   -0.075668
    -0.000000    9.833986    0.090204
    -0.000000    0.000000   13.933141
   Si   O    H 
    32    64    10
Direct configuration=  1879
   0.16333243  0.18201084 -0.05472434
   0.34573059  0.06790666  0.38351267
   0.14799945  0.40139166  0.11699130
   0.38827488  0.32893709  0.25487979
   0.08301242  0.16321198  0.49099451
   0.40759388  0.12238381  0.84028659
   0.12455074  0.41556040  0.62922124
   0.36629673  0.38171055  0.74818520
   0.13468999  0.67363732 -0.00609459
   0.40772317  0.57057821  0.36134450
   0.08213232  0.91086398  0.13363998
   0.33774875  0.82017043  0.25146375
   0.16785586  0.65301240  0.47863076
   0.37419598  0.62437984  0.86654719
   0.04274345  0.90194268  0.59693316
   0.32233415  0.98249091  0.67879603
   0.61842876  0.14350211  0.99970123
   0.86581799  0.12890641  0.34784029
   0.61534373  0.41117625  0.11364120
   0.87616888  0.30500797  0.16217269
   0.61153290  0.18136193  0.49163857
   0.86935401  0.10435331  0.87051640
   0.59335188  0.44956323  0.61086619
   0.75549767  0.36296716  0.79194908
   0.62391131  0.65027739 -0.00197059
   0.91386773  0.60517088  0.37455392
   0.58788642  0.89542716  0.13552620
   0.84199686  0.85362760  0.25830797
   0.66227550  0.67511250  0.46975218
   0.87826007  0.61092333  0.88029351
   0.61495446  0.93215936  0.62909583
   0.83180446  0.85186896  0.75030815
   0.11853673  0.07399892  0.13534934
   0.33647683  0.17401122  0.28633194
   0.16392395  0.32145668  0.00864973
   0.37404427  0.41497762  0.36194899
   0.53588758  0.33699426  0.20510364
   0.28887030  0.38392071  0.17427338
   0.22436267  0.08917107  0.46202693
  -0.00763541  0.19934258  0.40176945
   0.00695926  0.05384885  0.55435433
   0.47182388  0.24536206  0.77039345
   0.11715764  0.29474964  0.55306105
   0.36354550  0.45719960  0.84946121
   0.43464094  0.45065321  0.65293305
   0.21300245  0.35011851  0.71454770
   0.25247751  0.18400985 -0.15068024
   0.00503276  0.16338648  0.92973393
   0.12126112  0.55174169  0.07665175
   0.38945866  0.65582326  0.25971925
   0.09589700  0.82940606  0.03703119
   0.32653371  0.91282293  0.34608413
   0.42644059  0.88209376  0.16162354
   0.18031197  0.83468005  0.21563384
   0.31533254  0.66855601  0.43091921
   0.06662799  0.57906272  0.40378314
   0.18695808  0.55529664  0.57742561
   0.35744168  0.69671154  0.76892875
   0.08425958  0.79598440  0.50876873
   0.38057898  0.97722978  0.78639622
   0.44889058  0.90565940  0.62495713
   0.17489445  0.91217151  0.67365007
   0.28142075  0.65664131 -0.04214242
   0.02905520  0.64854928  0.90561596
   0.60653342  0.05243793  0.10036117
   0.83317776  0.18696514  0.23754515
   0.61569392  0.29387887  0.03528263
   0.85526252  0.45285237  0.35756481
   0.02958148  0.35968335  0.18323446
   0.77560403  0.44019407  0.16829753
   0.72890789  0.17063027  0.40837996
   0.47634292  0.11409994  0.44559792
   0.64009055  0.08574013  0.58541529
   0.83052793  0.21638087  0.78868400
   0.60694646  0.33806004  0.52553414
   0.87763953  0.45304839  0.84737185
   0.97571022  0.42636512  0.66440277
   0.71722848  0.40947262  0.68533365
   0.74699097  0.09493217  0.94137687
   0.48608575  0.09964034  0.93812593
   0.54486380  0.54879564  0.07347430
   0.89521769  0.70223419  0.28080349
   0.61453218  0.79865748  0.03976149
   0.88187654  0.95962618  0.34291489
   0.92614070  0.88177094  0.16329708
   0.68290908  0.86033827  0.22370244
   0.81875224  0.67915103  0.45594353
   0.57399729  0.57128247  0.39718460
   0.60708285  0.61385665  0.57148241
   0.80161683  0.71036241  0.80204422
   0.60609160  0.82597454  0.43874951
   0.89928481  0.94307860  0.83289324
   0.92147668  0.82909431  0.65847665
   0.69175477  0.93398098  0.73341030
   0.77702996  0.60702251  0.98082268
   0.54158602  0.64974387  0.89173365
   0.68984865  0.83159265  0.57950767
   0.52167380  0.85468107  0.46459809
   0.86896167  0.23937989  0.06925618
   0.92678256  0.39854805  0.37451950
   0.33346448  0.12360364  0.65069406
   0.42136794  0.78065182  0.75943129
   0.19343304  1.12802858  0.16997583
   0.23216977  1.06504528 -0.00490198
   0.62793961  0.38605898  0.84061337
   0.90616916  0.43754318  0.62039933
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932291   -0.021290   -0.075270
    -0.000000    9.834963    0.087039
    -0.000000    0.000000   13.934023
   Si   O    H 
    32    64    10
Direct configuration=  1880
   0.16495361  0.18167835 -0.05495578
   0.34629060  0.06775930  0.38292133
   0.14933549  0.40201347  0.11650193
   0.38727452  0.33029139  0.25534425
   0.08219969  0.16531697  0.49085734
   0.40762361  0.12258216  0.84033363
   0.12584155  0.41656714  0.62837040
   0.36599119  0.38113243  0.74764523
   0.13443298  0.67346010 -0.00616054
   0.40859606  0.57120648  0.36089332
   0.08217229  0.91041300  0.13353368
   0.33604812  0.81988134  0.25163627
   0.16907562  0.65265652  0.47924254
   0.37375886  0.62527877  0.86634503
   0.04226678  0.90280792  0.59750167
   0.32323876  0.98168171  0.67924242
   0.61817252  0.14290726  0.99979258
   0.86595660  0.12964181  0.34864001
   0.61718420  0.41218965  0.11398297
   0.87493883  0.30471570  0.16200733
   0.61087098  0.18069680  0.49198785
   0.86861696  0.10333373  0.87020762
   0.59426012  0.44886191  0.61012089
   0.75553376  0.36243687  0.79161083
   0.62386500  0.65078841 -0.00218060
   0.91332614  0.60691840  0.37535002
   0.58662712  0.89504914  0.13581542
   0.84295007  0.85251392  0.25921793
   0.66085307  0.67511073  0.46879344
   0.87953451  0.61205637  0.88016867
   0.61490273  0.93139575  0.63008424
   0.83096171  0.85115415  0.74880775
   0.11745907  0.07328523  0.13438967
   0.33592072  0.17451797  0.28670334
   0.16324868  0.32183559  0.00934763
   0.37559569  0.41232072  0.36163358
   0.53535250  0.33698515  0.20594630
   0.29002377  0.38395309  0.17451165
   0.22499986  0.08924663  0.46164009
  -0.00888408  0.19809358  0.40256639
   0.00469230  0.05315902  0.55458317
   0.47083150  0.24424613  0.77016244
   0.11673170  0.29338217  0.55395055
   0.36257529  0.45921779  0.84942909
   0.43431757  0.45017219  0.65275089
   0.21309691  0.35275229  0.71501589
   0.25182392  0.18296471 -0.15126107
   0.00337558  0.16286836  0.93015159
   0.12187622  0.55230294  0.07704529
   0.39034772  0.65491040  0.26125734
   0.09490648  0.83003563  0.03652364
   0.32775591  0.91378738  0.34589016
   0.42534847  0.88319229  0.16286345
   0.17904201  0.83396106  0.21474179
   0.31552603  0.66954916  0.43274280
   0.06570319  0.57758732  0.40526454
   0.18778078  0.55509392  0.57741584
   0.35766395  0.69579500  0.76838598
   0.08310836  0.79682902  0.50789392
   0.38070470  0.97839622  0.78638796
   0.44981466  0.90534050  0.62539638
   0.17296999  0.91077610  0.67444970
   0.28249223  0.65652879 -0.04240200
   0.02888766  0.64845644  0.90579572
   0.60807223  0.05393909  0.09984122
   0.83210330  0.18827512  0.23667541
   0.61553934  0.29187018  0.03726676
   0.85636490  0.45311332  0.35573644
   0.03036938  0.36029175  0.18184061
   0.77465214  0.43966747  0.16670180
   0.72769621  0.17064998  0.40982679
   0.47588530  0.11409918  0.44475051
   0.63747932  0.08679186  0.58606283
   0.83305635  0.21685201  0.78826240
   0.60646120  0.33780728  0.52561456
   0.87602048  0.45370616  0.84836114
   0.97692172  0.42451387  0.66536156
   0.71665716  0.41127018  0.68458740
   0.74706483  0.09651150  0.94184097
   0.48727779  0.09998989  0.93654045
   0.54538855  0.54947644  0.07325265
   0.89629069  0.70173581  0.28125357
   0.61427476  0.79894230  0.03992503
   0.88265691  0.96015883  0.34213101
   0.92725720  0.88125506  0.16464348
   0.68320802  0.85941272  0.22253116
   0.81971167  0.67996999  0.45565377
   0.57310561  0.57044224  0.39690362
   0.60685787  0.61495047  0.57145075
   0.80152380  0.71066755  0.80256085
   0.60709333  0.82558799  0.43876644
   0.89981534  0.94431678  0.83396159
   0.92234458  0.82807472  0.65814310
   0.69155935  0.93439580  0.73417798
   0.77598508  0.60773648  0.98120528
   0.54326707  0.65090924  0.89222851
   0.69291481  0.83522906  0.57940281
   0.52035883  0.84784145  0.46490014
   0.86522154  0.22905595  0.07053411
   0.93730900  0.39543442  0.37052420
   0.32968811  0.12878912  0.65115301
   0.42047170  0.77601309  0.75445690
   0.18963909  1.12305521  0.16643061
   0.22738506  1.06686240 -0.00235528
   0.62523041  0.39230657  0.83837381
   0.90696889  0.43525911  0.61654539
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932999   -0.021988   -0.074356
    -0.000000    9.836214    0.084259
    -0.000000    0.000000   13.935392
   Si   O    H 
    32    64    10
Direct configuration=  1881
   0.16619400  0.18175371 -0.05568248
   0.34689557  0.06774533  0.38276937
   0.15095565  0.40382138  0.11582483
   0.38650278  0.33119926  0.25595717
   0.08183210  0.16718344  0.49103549
   0.40697880  0.12284330  0.84046087
   0.12742513  0.41745098  0.62767258
   0.36610995  0.38025450  0.74738749
   0.13427329  0.67356241 -0.00642195
   0.41008581  0.57178203  0.36100168
   0.08176713  0.91011709  0.13350642
   0.33514388  0.81971362  0.25164914
   0.17021490  0.65266908  0.47997958
   0.37352332  0.62642378  0.86668618
   0.04246619  0.90333023  0.59841759
   0.32395386  0.98072026  0.67931600
   0.61801590  0.14195636  0.99977838
   0.86587877  0.13021295  0.34908816
   0.61922596  0.41301627  0.11440462
   0.87375613  0.30463705  0.16191331
   0.61070783  0.17953437  0.49240492
   0.86869544  0.10221989  0.86955474
   0.59398475  0.44905345  0.60933246
   0.75574092  0.36237809  0.79150760
   0.62408118  0.65132809 -0.00256175
   0.91303519  0.60801383  0.37600805
   0.58559716  0.89502062  0.13594282
   0.84375956  0.85105883  0.26022488
   0.65979650  0.67512530  0.46790760
   0.88076042  0.61279572  0.87999869
   0.61484168  0.93066885  0.63111022
   0.83030278  0.85089008  0.74783288
   0.11565232  0.07225324  0.13332861
   0.33534165  0.17451640  0.28715678
   0.16298096  0.32262159  0.01004753
   0.37682599  0.40959583  0.36136356
   0.53442039  0.33720819  0.20647889
   0.29039103  0.38388525  0.17426704
   0.22587762  0.08966569  0.46157437
  -0.01019881  0.19658335  0.40267420
   0.00185579  0.05245316  0.55522986
   0.46958295  0.24339499  0.76968883
   0.11656698  0.29160750  0.55506675
   0.36151940  0.46130986  0.84913747
   0.43460325  0.44986732  0.65234378
   0.21323331  0.35478641  0.71606921
   0.25159826  0.18190888 -0.15147993
   0.00183768  0.16255412  0.92961119
   0.12175978  0.55363225  0.07778089
   0.39087935  0.65528389  0.26283097
   0.09389226  0.82986835  0.03551290
   0.32925522  0.91508344  0.34576123
   0.42525821  0.88356433  0.16387455
   0.17733280  0.83262615  0.21349507
   0.31693724  0.66996219  0.43499647
   0.06491914  0.57602072  0.40669329
   0.18852594  0.55439985  0.57699136
   0.35826228  0.69663859  0.76775980
   0.08175526  0.79738701  0.50681773
   0.38116228  0.97943077  0.78637627
   0.45144414  0.90470258  0.62630981
   0.17114522  0.90936503  0.67483853
   0.28398722  0.65692268 -0.04297753
   0.02867828  0.64816385  0.90609533
   0.60955023  0.05556699  0.09946800
   0.83109359  0.18889853  0.23615006
   0.61567248  0.29085754  0.03852070
   0.85813043  0.45306557  0.35430337
   0.03040050  0.35989088  0.18049719
   0.77353045  0.43916138  0.16464440
   0.72667942  0.17043814  0.41158071
   0.47529100  0.11366555  0.44372822
   0.63517872  0.08806144  0.58705058
   0.83628407  0.21675951  0.78737061
   0.60569747  0.33689324  0.52603902
   0.87431559  0.45403742  0.84905539
   0.97738134  0.42306057  0.66628457
   0.71555919  0.41325207  0.68312166
   0.74696740  0.09766470  0.94221639
   0.48906161  0.10013311  0.93514306
   0.54538659  0.55014622  0.07328168
   0.89755284  0.70108679  0.28218890
   0.61371727  0.79977872  0.04059014
   0.88308612  0.96151478  0.34142950
   0.92854395  0.88154627  0.16518232
   0.68334010  0.85807172  0.22183964
   0.82171459  0.68077203  0.45538532
   0.57210581  0.56922213  0.39642308
   0.60761609  0.61567814  0.57213535
   0.80116674  0.71018656  0.80360628
   0.60815862  0.82501964  0.43895034
   0.90016935  0.94620524  0.83507654
   0.92317954  0.82768409  0.65727043
   0.69125166  0.93518608  0.73487131
   0.77528276  0.60814088  0.98154433
   0.54420321  0.65218147  0.89283710
   0.69740125  0.83774833  0.58003590
   0.51595105  0.84534477  0.46550223
   0.86426498  0.21736911  0.07268478
   0.93912725  0.39203041  0.36511788
   0.32703331  0.12975495  0.65127557
   0.41629094  0.76841751  0.75335276
   0.18562245  1.11716274  0.16556418
   0.22005288  1.07030471 -0.00006537
   0.62511770  0.39833567  0.83936101
   0.90700252  0.43458934  0.61389442
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933376   -0.022708   -0.073332
    -0.000000    9.837689    0.081803
    -0.000000    0.000000   13.936689
   Si   O    H 
    32    64    10
Direct configuration=  1882
   0.16718035  0.18237363 -0.05617630
   0.34728440  0.06816743  0.38218469
   0.15230301  0.40586883  0.11491274
   0.38626385  0.33230679  0.25637805
   0.08172407  0.16925685  0.49158384
   0.40666360  0.12345558  0.84064093
   0.12909149  0.41831365  0.62702522
   0.36661101  0.37961374  0.74692353
   0.13384449  0.67328367 -0.00655377
   0.41112913  0.57258704  0.36088128
   0.08181377  0.90984966  0.13310512
   0.33406524  0.81971992  0.25118184
   0.17032567  0.65268281  0.48110083
   0.37443822  0.62722822  0.86722698
   0.04317533  0.90354286  0.59893681
   0.32422295  0.97987394  0.67963962
   0.61784300  0.14017647  1.00003976
   0.86477434  0.13056530  0.34926067
   0.62144902  0.41371543  0.11491867
   0.87264938  0.30470203  0.16157609
   0.61082178  0.17833685  0.49270801
   0.86879843  0.10141058  0.86881419
   0.59322443  0.44956634  0.60853201
   0.75580482  0.36267689  0.79155666
   0.62403276  0.65170829 -0.00302046
   0.91222106  0.60902242  0.37701718
   0.58420101  0.89582639  0.13610017
   0.84403573  0.85054285  0.26110109
   0.65856604  0.67498862  0.46675690
   0.88102340  0.61344198  0.88000425
   0.61447967  0.93049264  0.63164849
   0.82965777  0.85021313  0.74766715
   0.11376257  0.07179395  0.13174990
   0.33433707  0.17499490  0.28788850
   0.16210469  0.32314006  0.01054100
   0.37775397  0.40731393  0.36080663
   0.53358876  0.33740337  0.20678253
   0.29074126  0.38390189  0.17335133
   0.22631805  0.08947544  0.46183255
  -0.01137704  0.19552528  0.40300418
  -0.00063153  0.05176984  0.55574573
   0.46842160  0.24217893  0.76998660
   0.11607427  0.29033972  0.55496751
   0.35997801  0.46360627  0.84907022
   0.43542071  0.44860152  0.65252711
   0.21385352  0.35730193  0.71669746
   0.25101825  0.18077977 -0.15195904
   0.00042279  0.16133458  0.92853970
   0.12093970  0.55589853  0.07790401
   0.39141929  0.65663056  0.26401310
   0.09321486  0.82971022  0.03448047
   0.33071819  0.91645082  0.34595737
   0.42517788  0.88398658  0.16491466
   0.17628410  0.83067167  0.21177864
   0.31810347  0.67018048  0.43751970
   0.06420405  0.57472477  0.40858681
   0.18996098  0.55386670  0.57689567
   0.35875602  0.69696302  0.76635195
   0.08052624  0.79707500  0.50578224
   0.38171167  0.98041569  0.78645065
   0.45380292  0.90398897  0.62701667
   0.16970039  0.90865074  0.67526473
   0.28429253  0.65800918 -0.04345453
   0.02869583  0.64815783  0.90655473
   0.61055691  0.05616570  0.09973529
   0.83049492  0.18860883  0.23628397
   0.61601784  0.29060576  0.03872629
   0.86064811  0.45301689  0.35378504
   0.03020062  0.35922006  0.17920026
   0.77183433  0.43824977  0.16237602
   0.72606727  0.17051394  0.41329532
   0.47571728  0.11320135  0.44276111
   0.63229020  0.08864442  0.58847736
   0.83860322  0.21633471  0.78640068
   0.60374166  0.33599948  0.52619771
   0.87298628  0.45440255  0.84970746
   0.97721763  0.42213554  0.66693182
   0.71537491  0.41502589  0.68243399
   0.74643549  0.09817726  0.94216033
   0.49013952  0.10064717  0.93347779
   0.54630475  0.55037690  0.07368907
   0.89890474  0.69976619  0.28279650
   0.61311586  0.80071776  0.04140713
   0.88309695  0.96249447  0.34105236
   0.92992786  0.88141798  0.16570880
   0.68427490  0.85665290  0.22221519
   0.82315844  0.68138408  0.45607634
   0.57142128  0.56842462  0.39572407
   0.60865516  0.61624491  0.57263548
   0.80070210  0.70982326  0.80422344
   0.60906490  0.82462376  0.43922060
   0.90028628  0.94715035  0.83611819
   0.92447302  0.82714452  0.65633939
   0.69039090  0.93637381  0.73556109
   0.77530087  0.60808717  0.98208847
   0.54444213  0.65325025  0.89354609
   0.70056902  0.83807078  0.58080641
   0.51641448  0.84193098  0.46353154
   0.86490715  0.21039445  0.07272690
   0.93393689  0.39285075  0.35791766
   0.31919749  0.12477872  0.65063027
   0.41685371  0.76903435  0.75106391
   0.19048859  1.11663263  0.16735074
   0.21383571  1.06970276  0.00276594
   0.62554092  0.39958989  0.84166325
   0.90711311  0.43535597  0.61616471
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933621   -0.023167   -0.072007
    -0.000000    9.839253    0.079536
    -0.000000    0.000000   13.938161
   Si   O    H 
    32    64    10
Direct configuration=  1883
   0.16739848  0.18255970 -0.05614129
   0.34677539  0.06894396  0.38155741
   0.15368664  0.40761801  0.11382780
   0.38604168  0.33282576  0.25698750
   0.08209158  0.17068176  0.49195753
   0.40582930  0.12419883  0.84033806
   0.13046485  0.41903388  0.62624638
   0.36708758  0.37896575  0.74656326
   0.13278248  0.67287001 -0.00660727
   0.41223654  0.57360468  0.36096339
   0.08089279  0.90969462  0.13265974
   0.33251002  0.81962643  0.25130644
   0.16996899  0.65291954  0.48233976
   0.37581695  0.62748233  0.86743070
   0.04407587  0.90357085  0.59992655
   0.32447276  0.97943085  0.68052368
   0.61766108  0.13821973  1.00076214
   0.86255903  0.13112943  0.34958309
   0.62383010  0.41446958  0.11574741
   0.87137237  0.30482604  0.16083907
   0.61072280  0.17726384  0.49327590
   0.86920724  0.10035073  0.86856290
   0.59216464  0.45029251  0.60754282
   0.75608413  0.36339686  0.79196696
   0.62327126  0.65229363 -0.00359697
   0.91104525  0.60954252  0.37825422
   0.58286140  0.89663721  0.13650419
   0.84408766  0.85002079  0.26171642
   0.65769644  0.67443792  0.46602608
   0.88007593  0.61367476  0.88021760
   0.61312581  0.93057563  0.63180332
   0.82946844  0.84969390  0.74813144
   0.11284564  0.07140825  0.13040947
   0.33317071  0.17573990  0.28827221
   0.16144440  0.32324837  0.01134981
   0.37827648  0.40506341  0.35998060
   0.53282114  0.33716561  0.20732022
   0.29201217  0.38401368  0.17241204
   0.22677324  0.08865876  0.46229462
  -0.01246307  0.19524238  0.40285398
  -0.00265277  0.05113160  0.55668106
   0.46715079  0.24116912  0.77017906
   0.11523643  0.28893176  0.55447692
   0.35816080  0.46537371  0.84838971
   0.43664038  0.44819310  0.65234230
   0.21422546  0.35945148  0.71756974
   0.25078961  0.17982913 -0.15242054
  -0.00000311  0.16021567  0.92755588
   0.12033750  0.55893463  0.07783196
   0.39289101  0.65845408  0.26451375
   0.09314202  0.82866708  0.03370058
   0.33205991  0.91806665  0.34621771
   0.42518175  0.88433991  0.16571202
   0.17444045  0.82815985  0.21019626
   0.31961311  0.66933931  0.43922212
   0.06344242  0.57311672  0.41073365
   0.19068147  0.55312348  0.57737166
   0.35810439  0.69701211  0.76452026
   0.08010418  0.79651344  0.50473458
   0.38212868  0.98099675  0.78707897
   0.45568113  0.90344099  0.62686495
   0.16847607  0.90829586  0.67515967
   0.28496595  0.65900679 -0.04441978
   0.02816645  0.64878240  0.90701856
   0.61137864  0.05670468  0.10107706
   0.82983997  0.18875410  0.23742402
   0.61727015  0.29100012  0.03888088
   0.86304797  0.45395766  0.35292950
   0.02993606  0.35785225  0.17819089
   0.77131433  0.43690158  0.15967476
   0.72583033  0.17007888  0.41449264
   0.47653277  0.11324233  0.44226743
   0.62993454  0.08939706  0.58997461
   0.84036120  0.21594513  0.78514730
   0.60224470  0.33494415  0.52625814
   0.87186946  0.45478579  0.85009833
   0.97617622  0.42160112  0.66737087
   0.71528412  0.41617693  0.68219518
   0.74643526  0.09846073  0.94180781
   0.49042909  0.10120013  0.93200124
   0.54715232  0.55025851  0.07405589
   0.90041874  0.69924073  0.28384667
   0.61188768  0.80144563  0.04256474
   0.88306058  0.96329042  0.34078049
   0.93145213  0.88188823  0.16596920
   0.68601655  0.85516231  0.22256795
   0.82453277  0.68182168  0.45694792
   0.56981910  0.56785915  0.39527804
   0.60977115  0.61599334  0.57242106
   0.80087352  0.70971726  0.80464252
   0.60991107  0.82442927  0.43927683
   0.90103188  0.94858393  0.83629796
   0.92540971  0.82687800  0.65567128
   0.68999149  0.93750558  0.73617806
   0.77612476  0.60810497  0.98265950
   0.54397244  0.65463577  0.89406497
   0.70527538  0.84257460  0.58378689
   0.51651341  0.83893684  0.45799085
   0.86464547  0.20872421  0.07262925
   0.93079362  0.38939794  0.35209760
   0.31078136  0.11668104  0.65195092
   0.42059351  0.77638080  0.74652804
   0.18895784  1.11174254  0.16827067
   0.21062009  1.06899506  0.00299218
   0.63134854  0.39682205  0.84453320
   0.90892000  0.43149836  0.62074136
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933229   -0.023435   -0.070818
    -0.000000    9.840875    0.077694
    -0.000000    0.000000   13.939832
   Si   O    H 
    32    64    10
Direct configuration=  1884
   0.16716809  0.18335097 -0.05569267
   0.34604660  0.07015787  0.38086283
   0.15512867  0.40838924  0.11231380
   0.38561201  0.33270382  0.25732517
   0.08257702  0.17104544  0.49230811
   0.40472637  0.12468261  0.83960550
   0.13068275  0.41965883  0.62556357
   0.36832012  0.37819492  0.74634256
   0.13220037  0.67246536 -0.00637343
   0.41340740  0.57439557  0.36115352
   0.08035444  0.90917624  0.13261406
   0.33141754  0.81982438  0.25122594
   0.16969798  0.65336719  0.48321887
   0.37747565  0.62748041  0.86743085
   0.04472563  0.90341523  0.60060635
   0.32432658  0.97856558  0.68104210
   0.61703837  0.13657741  1.00161647
   0.86001405  0.13127476  0.35016289
   0.62632365  0.41475329  0.11681923
   0.87098168  0.30482925  0.15985305
   0.61042086  0.17608526  0.49367012
   0.86965171  0.09954922  0.86834181
   0.59125122  0.45143586  0.60712851
   0.75629031  0.36419462  0.79166222
   0.62184166  0.65282769 -0.00409835
   0.91014813  0.60990477  0.37923744
   0.58192734  0.89770673  0.13693341
   0.84365433  0.84971071  0.26206329
   0.65731861  0.67347568  0.46528318
   0.87910990  0.61342878  0.88037191
   0.61162789  0.93149575  0.63144338
   0.82974527  0.84971892  0.74897150
   0.11239572  0.07108448  0.12931298
   0.33157457  0.17693403  0.28786709
   0.16072605  0.32291515  0.01215293
   0.37893168  0.40361845  0.35932072
   0.53234590  0.33763503  0.20728292
   0.29366623  0.38430107  0.17161889
   0.22692608  0.08757056  0.46334626
  -0.01360112  0.19595722  0.40163509
  -0.00489020  0.05116620  0.55724140
   0.46623673  0.23992804  0.77025836
   0.11484672  0.28821981  0.55418465
   0.35706790  0.46718794  0.84803969
   0.43837245  0.44751041  0.65243500
   0.21458131  0.36079906  0.71811305
   0.25121108  0.17944746 -0.15328680
  -0.00066894  0.15830654  0.92635097
   0.11938866  0.56190472  0.07781744
   0.39430353  0.66054607  0.26441477
   0.09384166  0.82762799  0.03259824
   0.33374454  0.91894128  0.34610912
   0.42532547  0.88522219  0.16638692
   0.17370223  0.82507292  0.20888494
   0.32099404  0.66869532  0.44115976
   0.06397057  0.57179743  0.41293234
   0.19131268  0.55228066  0.57807991
   0.35788896  0.69761114  0.76226613
   0.08033085  0.79682731  0.50454988
   0.38297768  0.98218994  0.78774926
   0.45708041  0.90205095  0.62665278
   0.16732934  0.90815585  0.67545998
   0.28576178  0.65995360 -0.04498656
   0.02818768  0.64858247  0.90760088
   0.61181077  0.05825022  0.10217879
   0.82911818  0.18878499  0.23903157
   0.61904238  0.29187058  0.03834837
   0.86494855  0.45467896  0.35240076
   0.02979178  0.35698948  0.17801083
   0.77126386  0.43530502  0.15755204
   0.72544742  0.16994345  0.41564219
   0.47743501  0.11295379  0.44149626
   0.62773450  0.08967356  0.59148741
   0.84191608  0.21593674  0.78446490
   0.60152813  0.33433362  0.52676046
   0.87022409  0.45597224  0.85092629
   0.97610115  0.42153768  0.66811992
   0.71547462  0.41682869  0.68198467
   0.74679760  0.09791399  0.94181151
   0.49141002  0.10181542  0.93144931
   0.54781402  0.54981795  0.07438834
   0.90191407  0.69863907  0.28415296
   0.61095309  0.80258420  0.04391617
   0.88294662  0.96442777  0.34060363
   0.93226112  0.88240742  0.16637938
   0.68836537  0.85410461  0.22260448
   0.82604021  0.68257317  0.45849869
   0.56810369  0.56768134  0.39467968
   0.61076131  0.61535892  0.57141052
   0.80087699  0.70915517  0.80533146
   0.61023571  0.82485666  0.43915806
   0.90173267  0.94987441  0.83676283
   0.92603510  0.82712564  0.65542383
   0.68903193  0.93829626  0.73679551
   0.77736356  0.60839969  0.98276939
   0.54358083  0.65582639  0.89428737
   0.70770901  0.84917348  0.58711858
   0.51314700  0.83830383  0.45305673
   0.86605093  0.21014709  0.07419155
   0.94013758  0.38183500  0.34687791
   0.30317745  0.11399936  0.65092095
   0.41733734  0.77565358  0.74408295
   0.18377209  1.11069471  0.16589782
   0.21021718  1.06965380  0.00237743
   0.63813053  0.39055316  0.84593885
   0.90358861  0.42896272  0.62189007
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932517   -0.023902   -0.069726
    -0.000000    9.842362    0.076147
    -0.000000    0.000000   13.941587
   Si   O    H 
    32    64    10
Direct configuration=  1885
   0.16601820  0.18371310 -0.05504235
   0.34534906  0.07188166  0.38008940
   0.15589413  0.40904042  0.11126330
   0.38544921  0.33196907  0.25767593
   0.08252839  0.17060826  0.49241410
   0.40295919  0.12495115  0.83836871
   0.13110532  0.41882667  0.62492650
   0.36975534  0.37741613  0.74596710
   0.13179518  0.67247932 -0.00607785
   0.41436611  0.57476897  0.36137661
   0.07936047  0.90866710  0.13206018
   0.32991984  0.81991424  0.25112398
   0.16908844  0.65379957  0.48403825
   0.37994176  0.62815364  0.86718644
   0.04471011  0.90348002  0.60099215
   0.32373825  0.97755674  0.68139787
   0.61633610  0.13466275  1.00235559
   0.85713682  0.13164669  0.35054407
   0.62790672  0.41454113  0.11790994
   0.87050258  0.30419706  0.15873870
   0.60968234  0.17484399  0.49402306
   0.87015929  0.09940598  0.86760754
   0.59011250  0.45241786  0.60665237
   0.75631649  0.36423260  0.79132016
   0.61986557  0.65260042 -0.00517936
   0.90979997  0.60970031  0.38002927
   0.58103093  0.89882130  0.13744970
   0.84326659  0.84941511  0.26233758
   0.65734796  0.67180310  0.46439776
   0.87821107  0.61316669  0.88064202
   0.61155133  0.93224218  0.63079362
   0.82936938  0.85045062  0.75032865
   0.11220076  0.07053248  0.12832144
   0.32997836  0.17703261  0.28757981
   0.15980944  0.32140815  0.01276449
   0.37939279  0.40310699  0.35852814
   0.53132707  0.33815823  0.20698706
   0.29440484  0.38496705  0.17054078
   0.22670474  0.08642682  0.46443318
  -0.01421253  0.19642091  0.40011759
  -0.00679797  0.05181119  0.55830946
   0.46490481  0.23887215  0.76968521
   0.11520959  0.28946707  0.55395639
   0.35613153  0.46882255  0.84775875
   0.43973576  0.44728377  0.65243543
   0.21453630  0.36225242  0.71888392
   0.25188850  0.17955593 -0.15374696
  -0.00132294  0.15628043  0.92472549
   0.11862743  0.56429907  0.07824794
   0.39576632  0.66254406  0.26398012
   0.09424077  0.82675809  0.03139404
   0.33565147  0.91931931  0.34612739
   0.42552210  0.88659695  0.16696659
   0.17362141  0.82233577  0.20767174
   0.32167961  0.66850824  0.44289254
   0.06535717  0.57024999  0.41471240
   0.19178582  0.55163449  0.57867073
   0.35698231  0.69804939  0.75993559
   0.08139479  0.79748838  0.50465641
   0.38402721  0.98301567  0.78823375
   0.45756482  0.90068215  0.62637379
   0.16694792  0.90872412  0.67520435
   0.28584327  0.66090151 -0.04512211
   0.02870304  0.64882185  0.90819555
   0.61252501  0.05914516  0.10359976
   0.82840935  0.18879336  0.24094631
   0.62095238  0.29233999  0.03750417
   0.86664091  0.45501662  0.35183894
   0.02984268  0.35646812  0.17793025
   0.77183322  0.43325218  0.15554049
   0.72625901  0.16905139  0.41621951
   0.47800690  0.11256759  0.44047875
   0.62567950  0.09021787  0.59289651
   0.84315978  0.21620758  0.78411588
   0.60109739  0.33474646  0.52724001
   0.86858941  0.45634705  0.85175225
   0.97669085  0.42274387  0.66839115
   0.71520210  0.41756412  0.68190619
   0.74680446  0.09760206  0.94230022
   0.49222112  0.10194073  0.93138075
   0.54855891  0.54963180  0.07488198
   0.90367525  0.69822521  0.28435550
   0.61024253  0.80244825  0.04484666
   0.88294240  0.96515367  0.34137933
   0.93266671  0.88235933  0.16680251
   0.69032200  0.85378485  0.22337237
   0.82636368  0.68380750  0.46008313
   0.56695463  0.56771657  0.39477204
   0.61177726  0.61469556  0.57107491
   0.80101808  0.70831738  0.80608693
   0.61035405  0.82485214  0.43909042
   0.90367963  0.95082458  0.83654922
   0.92609776  0.82771191  0.65575865
   0.68787018  0.93857999  0.73711237
   0.77930685  0.60868733  0.98270455
   0.54298155  0.65614528  0.89418932
   0.70892869  0.85411742  0.58603056
   0.51790143  0.83665078  0.44684752
   0.86496971  0.21737515  0.07607178
   0.94575100  0.38553942  0.34328602
   0.29662308  0.11335215  0.64862514
   0.41509782  0.76890473  0.74103399
   0.18341525  1.11103072  0.16639196
   0.21030303  1.06989522  0.00163928
   0.63966773  0.38620330  0.85040444
   0.90093618  0.42518897  0.62119152
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931654   -0.024294   -0.068955
    -0.000000    9.844167    0.074412
    -0.000000    0.000000   13.943575
   Si   O    H 
    32    64    10
Direct configuration=  1886
   0.16454041  0.18356146 -0.05415832
   0.34453959  0.07379011  0.38004965
   0.15669112  0.40983151  0.10984421
   0.38511136  0.33098863  0.25778036
   0.08226138  0.16964480  0.49253766
   0.40132104  0.12559858  0.83734903
   0.13152912  0.41766118  0.62486639
   0.37140865  0.37682665  0.74626698
   0.13177374  0.67278766 -0.00563349
   0.41448829  0.57465569  0.36144304
   0.07791965  0.90794514  0.13216313
   0.32827426  0.81937575  0.25082956
   0.16849122  0.65490166  0.48450710
   0.38295344  0.62890971  0.86662346
   0.04476018  0.90352590  0.60130216
   0.32353519  0.97666161  0.68190819
   0.61605173  0.13282120  1.00273248
   0.85414822  0.13158457  0.35073222
   0.62864382  0.41446431  0.11878761
   0.87101299  0.30346069  0.15770890
   0.60878960  0.17365292  0.49408090
   0.87058393  0.09958902  0.86683788
   0.58933810  0.45397050  0.60642534
   0.75632262  0.36373195  0.79085152
   0.61831251  0.65243276 -0.00581648
   0.90999310  0.60931928  0.38039774
   0.57998174  0.89900516  0.13782923
   0.84341729  0.84894199  0.26298789
   0.65730828  0.66969978  0.46375201
   0.87722465  0.61245600  0.88112007
   0.61161003  0.93346542  0.62987892
   0.82961273  0.85126251  0.75140145
   0.11179398  0.06925214  0.12720511
   0.32806718  0.17648041  0.28688010
   0.15965160  0.32034036  0.01401960
   0.38005144  0.40363876  0.35802340
   0.53037898  0.33896671  0.20619250
   0.29482468  0.38568818  0.16955977
   0.22644763  0.08531780  0.46468086
  -0.01427902  0.19676765  0.39913528
  -0.00822204  0.05201739  0.55949263
   0.46349126  0.23843045  0.76939592
   0.11543991  0.29102498  0.55428808
   0.35541517  0.46932462  0.84650925
   0.44106233  0.44777591  0.65228770
   0.21420619  0.36351454  0.71942993
   0.25204902  0.17953912 -0.15372398
  -0.00160901  0.15416531  0.92355902
   0.11830030  0.56581486  0.07879146
   0.39669723  0.66540938  0.26376996
   0.09521233  0.82658425  0.02968126
   0.33741590  0.91942218  0.34615741
   0.42584391  0.88746668  0.16721390
   0.17328627  0.81992498  0.20695033
   0.32269403  0.66776252  0.44399414
   0.06633154  0.56899482  0.41635523
   0.19203770  0.55107736  0.57867336
   0.35537109  0.69773504  0.75773958
   0.08343651  0.79832351  0.50504925
   0.38505537  0.98332122  0.78856953
   0.45696188  0.89921625  0.62576834
   0.16695948  0.91051157  0.67482700
   0.28686679  0.66223669 -0.04550030
   0.02956462  0.64938157  0.90802191
   0.61234367  0.05882004  0.10485193
   0.82754930  0.18808084  0.24296344
   0.62275797  0.29310586  0.03709438
   0.86856752  0.45508379  0.35088815
   0.03000160  0.35570221  0.17754240
   0.77366729  0.43092482  0.15393664
   0.72653279  0.16774438  0.41644196
   0.47839899  0.11208225  0.43978635
   0.62493445  0.09115424  0.59391116
   0.84380270  0.21608023  0.78373188
   0.60155875  0.33532840  0.52771141
   0.86657586  0.45701939  0.85163127
   0.97688387  0.42493602  0.66827768
   0.71427362  0.41815671  0.68167938
   0.74695596  0.09623825  0.94266411
   0.49253074  0.10140045  0.93162258
   0.54977709  0.54958185  0.07562901
   0.90472214  0.69803797  0.28470963
   0.60947896  0.80177713  0.04589663
   0.88207221  0.96635081  0.34242208
   0.93308561  0.88251068  0.16801942
   0.69165504  0.85322215  0.22401771
   0.82764300  0.68454059  0.46204273
   0.56632311  0.56812930  0.39465020
   0.61232671  0.61414368  0.57090823
   0.80126608  0.70810328  0.80654923
   0.61060407  0.82561742  0.43913669
   0.90466181  0.95171832  0.83594898
   0.92568520  0.82734129  0.65635936
   0.68720953  0.93887083  0.73737087
   0.78127334  0.60907635  0.98254732
   0.54238677  0.65583513  0.89386553
   0.71355455  0.85144592  0.58257516
   0.51275551  0.83988402  0.44260093
   0.86259093  0.22382411  0.07154636
   0.94013798  0.39998665  0.34001714
   0.29266155  0.11263200  0.64493554
   0.42024140  0.77007978  0.73777067
   0.18605928  1.11340876  0.16752245
   0.21194760  1.06765445  0.00032905
   0.64206238  0.37601263  0.85516012
   0.90116567  0.41960743  0.62337356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930539   -0.024514   -0.068013
    -0.000000    9.845929    0.073061
    -0.000000    0.000000   13.945358
   Si   O    H 
    32    64    10
Direct configuration=  1887
   0.16291259  0.18298276 -0.05365546
   0.34376364  0.07516862  0.38006522
   0.15731140  0.41117754  0.10859353
   0.38543484  0.32923967  0.25760089
   0.08263041  0.16759691  0.49239074
   0.39974460  0.12630337  0.83655010
   0.13171046  0.41654568  0.62519619
   0.37293221  0.37647568  0.74653824
   0.13246209  0.67290634 -0.00505150
   0.41452585  0.57440668  0.36142234
   0.07685983  0.90715311  0.13231195
   0.32715433  0.81980405  0.25100975
   0.16769998  0.65612898  0.48482290
   0.38583578  0.62991442  0.86576980
   0.04495990  0.90317790  0.60148632
   0.32245606  0.97591896  0.68264029
   0.61623560  0.13168798  1.00289851
   0.85147511  0.13139134  0.35118989
   0.62837058  0.41408736  0.11929607
   0.87183914  0.30183672  0.15671735
   0.60838694  0.17214223  0.49441720
   0.87122303  0.09936358  0.86626890
   0.58875072  0.45531761  0.60625261
   0.75676184  0.36275729  0.79061405
   0.61722264  0.65246304 -0.00595976
   0.91073369  0.60917825  0.38068080
   0.57873549  0.89902553  0.13820187
   0.84355038  0.84835554  0.26333453
   0.65740166  0.66746879  0.46320693
   0.87638319  0.61098993  0.88229758
   0.61245322  0.93466364  0.62902563
   0.83032883  0.85239048  0.75269246
   0.11134909  0.06810372  0.12627033
   0.32543379  0.17589551  0.28563147
   0.15971972  0.31960031  0.01534363
   0.38045488  0.40451261  0.35739881
   0.52938046  0.34002064  0.20515486
   0.29505910  0.38661223  0.16869572
   0.22553203  0.08482813  0.46479617
  -0.01351308  0.19735482  0.39860535
  -0.00939866  0.05215948  0.56021273
   0.46183513  0.23835747  0.76921351
   0.11544755  0.29283914  0.55431018
   0.35493872  0.46947712  0.84499905
   0.44329122  0.44759475  0.65236915
   0.21346608  0.36428389  0.71949948
   0.25101632  0.18045627 -0.15321321
  -0.00162891  0.15238822  0.92287065
   0.11811162  0.56711878  0.07975426
   0.39707495  0.66813117  0.26365016
   0.09680150  0.82693230  0.02813482
   0.33901557  0.91905179  0.34610596
   0.42504044  0.88811277  0.16760328
   0.17364456  0.81726916  0.20666792
   0.32385884  0.66642262  0.44475133
   0.06779651  0.56788361  0.41747550
   0.19261402  0.55088208  0.57874879
   0.35326619  0.69781214  0.75599757
   0.08506029  0.79847442  0.50497736
   0.38561621  0.98294641  0.78860611
   0.45544770  0.89852784  0.62608045
   0.16721598  0.91111361  0.67434452
   0.28764017  0.66345064 -0.04600490
   0.03087862  0.65017414  0.90703486
   0.61178843  0.05823312  0.10659915
   0.82739984  0.18718002  0.24471693
   0.62529003  0.29450209  0.03707724
   0.86944892  0.45571689  0.35007108
   0.03056142  0.35509727  0.17700820
   0.77674609  0.42861342  0.15228875
   0.72629056  0.16659867  0.41617938
   0.47956974  0.11153508  0.43870503
   0.62465123  0.09180943  0.59510275
   0.84360810  0.21653112  0.78379655
   0.60166795  0.33529701  0.52797626
   0.86493724  0.45683425  0.85228241
   0.97741193  0.42701266  0.66817863
   0.71308648  0.41854233  0.68222682
   0.74696760  0.09566989  0.94265826
   0.49292790  0.10030420  0.93214486
   0.55160135  0.54962197  0.07649771
   0.90507264  0.69852958  0.28515898
   0.60897232  0.80136895  0.04647911
   0.88090081  0.96739492  0.34352191
   0.93261718  0.88319882  0.16947188
   0.69183634  0.85311819  0.22446100
   0.82778057  0.68509384  0.46438518
   0.56639718  0.56929460  0.39505393
   0.61299540  0.61266496  0.57096647
   0.80165596  0.70846408  0.80683702
   0.61088254  0.82610876  0.43895349
   0.90546374  0.95177397  0.83487566
   0.92428471  0.82613844  0.65677731
   0.68673715  0.93900966  0.73733385
   0.78299633  0.61012864  0.98288717
   0.54226746  0.65524448  0.89344559
   0.71595368  0.84619959  0.57984387
   0.50938518  0.84605448  0.43806112
   0.85991101  0.22657141  0.06793466
   0.94682566  0.40463272  0.33419556
   0.29145673  0.11024698  0.64185732
   0.42120881  0.77332361  0.73539183
   0.17976865  1.11268485  0.16423923
   0.21707375  1.06603426 -0.00204595
   0.64208661  0.36240475  0.86039085
   0.90109030  0.41378962  0.62711069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929380   -0.024744   -0.067126
    -0.000000    9.847674    0.071685
    -0.000000    0.000000   13.947135
   Si   O    H 
    32    64    10
Direct configuration=  1888
   0.16147284  0.18293459 -0.05295701
   0.34275922  0.07710707  0.38026475
   0.15770834  0.41201416  0.10731780
   0.38546771  0.32742516  0.25694626
   0.08325198  0.16433471  0.49213553
   0.39877990  0.12695565  0.83598236
   0.13199150  0.41621544  0.62584679
   0.37388968  0.37550539  0.74659898
   0.13322498  0.67376139 -0.00496429
   0.41438934  0.57463168  0.36176020
   0.07605476  0.90628504  0.13242883
   0.32612185  0.82066315  0.25116170
   0.16706801  0.65708437  0.48498186
   0.38797688  0.63132252  0.86477298
   0.04461363  0.90308106  0.60178105
   0.32160192  0.97495637  0.68326279
   0.61652408  0.13141901  1.00328265
   0.84945612  0.13138407  0.35170198
   0.62764356  0.41335499  0.11976180
   0.87282716  0.29884733  0.15655191
   0.60795866  0.17085662  0.49438435
   0.87180113  0.09965633  0.86587298
   0.58836135  0.45574740  0.60648243
   0.75692009  0.36200438  0.79009381
   0.61603518  0.65169935 -0.00618732
   0.91190141  0.60842956  0.38031554
   0.57791096  0.89958569  0.13857874
   0.84332029  0.84782990  0.26355224
   0.65757522  0.66571559  0.46326383
   0.87574365  0.60968309  0.88344712
   0.61365289  0.93547326  0.62801231
   0.83166208  0.85349313  0.75420295
   0.11104051  0.06727396  0.12607961
   0.32305562  0.17597760  0.28416308
   0.15997404  0.31907416  0.01633430
   0.38135452  0.40597661  0.35754720
   0.52889584  0.34119860  0.20486641
   0.29444041  0.38663346  0.16806342
   0.22400256  0.08491211  0.46504118
  -0.01240234  0.19839404  0.39819548
  -0.01026315  0.05244887  0.56020027
   0.46126263  0.23949190  0.76816430
   0.11583302  0.29483439  0.55432194
   0.35555979  0.46872181  0.84352226
   0.44576254  0.44730063  0.65256538
   0.21267555  0.36582354  0.71940647
   0.24966148  0.18202480 -0.15233412
  -0.00117215  0.15171061  0.92308184
   0.11869185  0.56713300  0.08093368
   0.39675616  0.67073237  0.26343850
   0.09858405  0.82859321  0.02677453
   0.34003704  0.91905183  0.34601205
   0.42408034  0.88958357  0.16876059
   0.17420832  0.81490768  0.20680021
   0.32592728  0.66533159  0.44480086
   0.06841939  0.56713031  0.41821017
   0.19294904  0.55146189  0.57874266
   0.35166537  0.69804018  0.75483852
   0.08651377  0.79837147  0.50553763
   0.38664720  0.98251993  0.78916971
   0.45329802  0.89735495  0.62671934
   0.16850855  0.91110245  0.67426943
   0.28908351  0.66512467 -0.04642812
   0.03212211  0.65080362  0.90591199
   0.61071419  0.05727512  0.10764567
   0.82683773  0.18699018  0.24576027
   0.62766515  0.29570332  0.03689002
   0.86966293  0.45698271  0.34955506
   0.03035071  0.35450580  0.17611603
   0.77923024  0.42712939  0.15068389
   0.72500134  0.16579932  0.41632544
   0.48075440  0.11159220  0.43830008
   0.62439504  0.09223320  0.59626113
   0.84318460  0.21699424  0.78392015
   0.60261216  0.33536310  0.52892221
   0.86364850  0.45621843  0.85264666
   0.97810392  0.42974342  0.66834903
   0.71152951  0.41889553  0.68293611
   0.74763717  0.09527943  0.94273211
   0.49305107  0.09915573  0.93230723
   0.55304740  0.54941886  0.07705930
   0.90531507  0.69871503  0.28578851
   0.60814794  0.80086284  0.04712088
   0.87882407  0.96740926  0.34484627
   0.93221060  0.88422043  0.17086039
   0.69096773  0.85323566  0.22497720
   0.82674821  0.68591062  0.46618661
   0.56718481  0.57055512  0.39509146
   0.61302603  0.61089664  0.57092891
   0.80212999  0.70876994  0.80734616
   0.61109424  0.82671378  0.43854304
   0.90660449  0.95084089  0.83258540
   0.92295126  0.82510670  0.65703877
   0.68671689  0.93961356  0.73735100
   0.78461036  0.61146043  0.98366759
   0.54282971  0.65376064  0.89336569
   0.71653813  0.84465534  0.57756094
   0.51583636  0.84889664  0.43105096
   0.85995997  0.22648586  0.06459973
   0.96089986  0.40364891  0.32984912
   0.29240554  0.10701983  0.63895130
   0.41627076  0.77072703  0.73535677
   0.17048867  1.11211781  0.16208678
   0.22357889  1.06545744 -0.00374709
   0.64528311  0.34922487  0.86185119
   0.89781419  0.40704528  0.62862474
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928088   -0.025037   -0.066001
    -0.000000    9.849134    0.070533
    -0.000000    0.000000   13.948946
   Si   O    H 
    32    64    10
Direct configuration=  1889
   0.15965341  0.18315856 -0.05251768
   0.34133783  0.07872887  0.38046777
   0.15802675  0.41272352  0.10612682
   0.38557716  0.32577987  0.25580046
   0.08365477  0.16089078  0.49174984
   0.39798526  0.12657453  0.83583329
   0.13178672  0.41631985  0.62704277
   0.37446776  0.37487399  0.74664963
   0.13419782  0.67575720 -0.00502294
   0.41377555  0.57534374  0.36213831
   0.07494745  0.90509448  0.13276676
   0.32487440  0.82091756  0.25097943
   0.16614878  0.65775812  0.48517463
   0.38942766  0.63265789  0.86369765
   0.04394535  0.90301096  0.60188110
   0.32088206  0.97389790  0.68342720
   0.61650878  0.13109677  1.00377164
   0.84773543  0.13146853  0.35209672
   0.62603915  0.41234657  0.12002108
   0.87384756  0.29615887  0.15674282
   0.60762029  0.16991820  0.49432747
   0.87212611  0.09995761  0.86622596
   0.58758720  0.45578946  0.60646168
   0.75718804  0.36197498  0.78952194
   0.61491360  0.65163973 -0.00601890
   0.91332888  0.60714168  0.37986723
   0.57788917  0.89990976  0.13897677
   0.84327308  0.84769349  0.26375494
   0.65770585  0.66402086  0.46399070
   0.87528160  0.60913650  0.88438373
   0.61455226  0.93590556  0.62744701
   0.83256072  0.85463765  0.75563367
   0.10991356  0.06501471  0.12563197
   0.32103266  0.17656987  0.28292882
   0.16022730  0.31856744  0.01696366
   0.38114905  0.40756560  0.35763390
   0.53001570  0.34247456  0.20425686
   0.29449567  0.38641936  0.16725304
   0.22274698  0.08522698  0.46527307
  -0.01175344  0.19978645  0.39825093
  -0.01145563  0.05248148  0.56006552
   0.46140390  0.24081692  0.76686137
   0.11591253  0.29700244  0.55378105
   0.35662477  0.46754604  0.84201246
   0.44751957  0.44698856  0.65321706
   0.21197338  0.36746844  0.71874669
   0.24853042  0.18397656 -0.15143872
   0.00087645  0.15169120  0.92347282
   0.11962039  0.56685922  0.08185508
   0.39609910  0.67348363  0.26344844
   0.10042661  0.82972747  0.02580940
   0.34065102  0.91858301  0.34634457
   0.42307093  0.89119318  0.16991419
   0.17551092  0.81266279  0.20743586
   0.32789183  0.66415745  0.44522658
   0.06979388  0.56694506  0.41866100
   0.19341936  0.55227650  0.57856527
   0.35073178  0.69855776  0.75380274
   0.08774350  0.79849197  0.50613298
   0.38766439  0.98207987  0.78993631
   0.45094051  0.89640269  0.62674776
   0.16960310  0.91019526  0.67390415
   0.29058918  0.66663125 -0.04689926
   0.03271039  0.65121469  0.90453891
   0.60855421  0.05606215  0.10839446
   0.82681689  0.18672506  0.24629516
   0.62925908  0.29676512  0.03643795
   0.87061838  0.45618177  0.34888374
   0.02988585  0.35357450  0.17577561
   0.78194804  0.42631483  0.14968970
   0.72295403  0.16549338  0.41566856
   0.48165005  0.11155008  0.43764262
   0.62484878  0.09302838  0.59719366
   0.84288609  0.21753502  0.78331670
   0.60261035  0.33503015  0.52964206
   0.86293187  0.45524421  0.85260723
   0.97852190  0.43226635  0.66830251
   0.71020974  0.41975977  0.68321195
   0.74835613  0.09531375  0.94255584
   0.49306956  0.09862489  0.93261994
   0.55425129  0.54935997  0.07760427
   0.90507761  0.69923497  0.28645914
   0.60767982  0.80014007  0.04769239
   0.87690084  0.96679033  0.34620204
   0.93122568  0.88565195  0.17199719
   0.68984020  0.85300056  0.22479335
   0.82482553  0.68534535  0.46806167
   0.56852440  0.57234480  0.39491224
   0.61344803  0.61046561  0.57115560
   0.80263401  0.70905357  0.80725065
   0.61126567  0.82633300  0.43837996
   0.90840067  0.94937299  0.83042242
   0.92186383  0.82474592  0.65779903
   0.68693084  0.93972583  0.73803797
   0.78553930  0.61262299  0.98392132
   0.54384772  0.65205219  0.89307117
   0.71230015  0.84495012  0.57736950
   0.52502730  0.85086472  0.42487074
   0.85841531  0.22578983  0.06260954
   0.96106120  0.40895592  0.32739238
   0.29377939  0.10430463  0.63587068
   0.41001136  0.76615811  0.73520126
   0.17488634  1.12199331  0.16815296
   0.22802013  1.06686646 -0.00803414
   0.64702081  0.34031082  0.86104659
   0.89566017  0.39965306  0.63104003
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926864   -0.023780   -0.065425
    -0.000000    9.850481    0.069197
    -0.000000    0.000000   13.950450
   Si   O    H 
    32    64    10
Direct configuration=  1890
   0.15853160  0.18387833 -0.05174761
   0.33987598  0.08036752  0.38028903
   0.15811533  0.41301554  0.10526528
   0.38509668  0.32427943  0.25478176
   0.08373245  0.15782911  0.49098318
   0.39735271  0.12617933  0.83528844
   0.13103960  0.41590849  0.62844610
   0.37459981  0.37517850  0.74644371
   0.13418329  0.67819818 -0.00525422
   0.41308952  0.57669994  0.36287577
   0.07420400  0.90362974  0.13263267
   0.32380616  0.82129940  0.25084324
   0.16635235  0.65803959  0.48551178
   0.39019989  0.63352828  0.86229859
   0.04300459  0.90235934  0.60172454
   0.31978542  0.97313212  0.68329816
   0.61667385  0.13138264  1.00484324
   0.84660513  0.13057033  0.35265326
   0.62448302  0.41139062  0.12007933
   0.87556186  0.29324044  0.15695604
   0.60745934  0.16938495  0.49462799
   0.87229204  0.10028124  0.86632759
   0.58695286  0.45599291  0.60590197
   0.75692157  0.36166634  0.78918242
   0.61471026  0.65114213 -0.00561294
   0.91444720  0.60573849  0.37984021
   0.57861539  0.89908439  0.13932016
   0.84274315  0.84704322  0.26427951
   0.65775425  0.66285154  0.46518899
   0.87511642  0.60847021  0.88536826
   0.61519542  0.93647196  0.62685246
   0.83304095  0.85529942  0.75706081
   0.10907518  0.06298868  0.12595564
   0.31910690  0.17779497  0.28134950
   0.15966889  0.31728314  0.01683742
   0.38045595  0.40905059  0.35795601
   0.53240857  0.34453518  0.20408511
   0.29359292  0.38618285  0.16664242
   0.22246463  0.08573080  0.46516746
  -0.01061029  0.20226244  0.39864903
  -0.01168850  0.05330825  0.56021177
   0.46234893  0.24139880  0.76594560
   0.11626137  0.29833831  0.55340446
   0.35837528  0.46650625  0.84019566
   0.44863594  0.44650295  0.65389797
   0.21165226  0.36903594  0.71776064
   0.24844902  0.18544710 -0.15018013
   0.00300042  0.15166425  0.92391144
   0.11998580  0.56714950  0.08227884
   0.39566994  0.67609488  0.26356097
   0.10204126  0.83092213  0.02495675
   0.34125138  0.91883863  0.34681055
   0.42223960  0.89276334  0.17123449
   0.17705905  0.81091666  0.20770400
   0.32875459  0.66323514  0.44551662
   0.07071459  0.56718666  0.41900929
   0.19340140  0.55293566  0.57849075
   0.34990084  0.69827726  0.75333724
   0.08900453  0.79902094  0.50739894
   0.38888210  0.98057211  0.79030125
   0.44827572  0.89564232  0.62622126
   0.17177103  0.90991067  0.67410242
   0.29125366  0.66848854 -0.04755110
   0.03417338  0.65231741  0.90356970
   0.60723135  0.05477030  0.10933960
   0.82611111  0.18650682  0.24637127
   0.63142623  0.29753482  0.03618687
   0.87246690  0.45452606  0.34801533
   0.02897876  0.35258376  0.17510574
   0.78391015  0.42630846  0.14856686
   0.72053770  0.16517571  0.41526762
   0.48090851  0.11113627  0.43680090
   0.62486813  0.09485095  0.59732312
   0.84236745  0.21809734  0.78277961
   0.60355183  0.33411277  0.53042610
   0.86162883  0.45405033  0.85251929
   0.97825271  0.43433933  0.66830026
   0.70998976  0.42030687  0.68319167
   0.74988515  0.09543566  0.94236972
   0.49239755  0.09835482  0.93218541
   0.55580279  0.54980140  0.07794975
   0.90454056  0.70029416  0.28685992
   0.60827562  0.79992616  0.04839558
   0.87545817  0.96625460  0.34694297
   0.92977328  0.88773522  0.17331021
   0.68817509  0.85198459  0.22435519
   0.82232808  0.68459609  0.46960465
   0.56976998  0.57224713  0.39452894
   0.61317045  0.61071873  0.57100523
   0.80401952  0.70904502  0.80686477
   0.61248382  0.82516372  0.43886690
   0.91006842  0.94858712  0.82893443
   0.92106093  0.82433134  0.65837851
   0.68576345  0.93942772  0.73859208
   0.78556085  0.61404782  0.98425331
   0.54480611  0.65005081  0.89284562
   0.70522652  0.84713640  0.57811083
   0.52089258  0.85904942  0.41718994
   0.85944784  0.22424229  0.06189037
   0.95124362  0.42070007  0.32499725
   0.29604342  0.10650433  0.63446375
   0.41539978  0.76732550  0.73302445
   0.17527832  1.12297886  0.16919861
   0.22807841  1.06966127 -0.01140221
   0.65017549  0.33431199  0.85718838
   0.90124413  0.39540563  0.63858412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925445   -0.023018   -0.065053
    -0.000000    9.852033    0.067518
    -0.000000    0.000000   13.951995
   Si   O    H 
    32    64    10
Direct configuration=  1891
   0.15760705  0.18423994 -0.05093797
   0.33761741  0.08234985  0.37946217
   0.15812959  0.41333739  0.10479801
   0.38468344  0.32366848  0.25370002
   0.08378428  0.15527108  0.49030793
   0.39728308  0.12547788  0.83498949
   0.13011589  0.41559055  0.62972998
   0.37455444  0.37534392  0.74653839
   0.13483966  0.68030555 -0.00500213
   0.41311780  0.57795916  0.36372110
   0.07396537  0.90151574  0.13208945
   0.32300240  0.82122993  0.25087597
   0.16643955  0.65853585  0.48611756
   0.39099299  0.63390510  0.86076232
   0.04238148  0.90100358  0.60160268
   0.31855356  0.97285374  0.68327890
   0.61750689  0.13198854  1.00565802
   0.84626639  0.12962391  0.35329574
   0.62259607  0.41029803  0.11996133
   0.87695756  0.29056157  0.15719187
   0.60733917  0.16967336  0.49508258
   0.87293414  0.10083160  0.86662914
   0.58679329  0.45598176  0.60522768
   0.75673736  0.36187714  0.78882297
   0.61423990  0.65108918 -0.00524252
   0.91524556  0.60498110  0.38041031
   0.57961155  0.89775888  0.13943107
   0.84221239  0.84667050  0.26445669
   0.65803276  0.66190490  0.46613487
   0.87571602  0.60755802  0.88623960
   0.61573570  0.93665563  0.62655776
   0.83361054  0.85511639  0.75783072
   0.10964415  0.06170143  0.12658125
   0.31726271  0.17808268  0.28026408
   0.15925742  0.31516655  0.01622738
   0.37967260  0.41164826  0.35860110
   0.53482001  0.34675254  0.20478068
   0.29122739  0.38618337  0.16582016
   0.22206831  0.08619691  0.46473307
  -0.00987822  0.20367625  0.39874349
  -0.01171359  0.05414927  0.56056232
   0.46352129  0.24233834  0.76515476
   0.11659648  0.29868489  0.55281536
   0.36030664  0.46646347  0.83864056
   0.44869440  0.44597254  0.65495211
   0.21213978  0.36970003  0.71741360
   0.24802443  0.18629485 -0.14889178
   0.00508752  0.15139314  0.92399299
   0.12030600  0.56730154  0.08244313
   0.39416035  0.67698200  0.26416204
   0.10323113  0.83281013  0.02436604
   0.34146138  0.91924187  0.34694550
   0.42086389  0.89459316  0.17209003
   0.17877791  0.80971836  0.20843269
   0.32891826  0.66291967  0.44636843
   0.07123444  0.56720116  0.41892649
   0.19270674  0.55376181  0.57849859
   0.34919286  0.69861256  0.75326156
   0.09054946  0.79917403  0.50917791
   0.39007154  0.97858171  0.79029531
   0.44576050  0.89490472  0.62593834
   0.17341424  0.90910964  0.67457305
   0.29194980  0.67044478 -0.04837445
   0.03472945  0.65285771  0.90296725
   0.60645032  0.05445084  0.10995245
   0.82543081  0.18661930  0.24612390
   0.63299957  0.29756096  0.03596459
   0.87388668  0.45399078  0.34712557
   0.02911514  0.35213271  0.17392484
   0.78560555  0.42623832  0.14777154
   0.71881543  0.16568334  0.41484044
   0.48031385  0.10973921  0.43584959
   0.62489526  0.09686736  0.59765055
   0.84213522  0.21845902  0.78200183
   0.60444920  0.33283888  0.52998214
   0.86109715  0.45279235  0.85229106
   0.97831115  0.43659013  0.66857498
   0.71005755  0.42066112  0.68352636
   0.75104470  0.09573750  0.94290883
   0.49176351  0.09841587  0.93179708
   0.55774082  0.55034986  0.07774666
   0.90383679  0.70097537  0.28762469
   0.60920971  0.79923679  0.04890696
   0.87300887  0.96510083  0.34789957
   0.92824984  0.88873587  0.17401519
   0.68792948  0.85126724  0.22381082
   0.82093456  0.68327642  0.47064806
   0.57014674  0.57230933  0.39395739
   0.61306482  0.61150240  0.57159974
   0.80492444  0.70904670  0.80675500
   0.61311013  0.82394760  0.43898753
   0.91193034  0.94830629  0.82787990
   0.92031754  0.82403122  0.65900486
   0.68534005  0.93900221  0.73933191
   0.78537117  0.61538288  0.98461393
   0.54475172  0.64817196  0.89248861
   0.69829912  0.85044383  0.57779462
   0.52219326  0.86440391  0.41102727
   0.86068343  0.22195145  0.06409015
   0.95305214  0.42539093  0.31762117
   0.30260852  0.10808941  0.63551870
   0.42285185  0.76593508  0.72964138
   0.16650849  1.11623696  0.16538607
   0.22867848  1.06929761 -0.01403887
   0.64561894  0.33289765  0.85449231
   0.90292182  0.39130844  0.64418242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923821   -0.022331   -0.064544
    -0.000000    9.853627    0.065864
    -0.000000    0.000000   13.953407
   Si   O    H 
    32    64    10
Direct configuration=  1892
   0.15682700  0.18548018 -0.05038975
   0.33615104  0.08464991  0.37857259
   0.15806448  0.41279441  0.10435367
   0.38416954  0.32350286  0.25284935
   0.08363790  0.15348928  0.48995068
   0.39729850  0.12493591  0.83498509
   0.12883806  0.41529887  0.63023612
   0.37399569  0.37547380  0.74703812
   0.13595316  0.68241178 -0.00464658
   0.41339534  0.57850493  0.36448818
   0.07406648  0.89949502  0.13172767
   0.32240098  0.82136985  0.25094350
   0.16654113  0.65785384  0.48712356
   0.39100017  0.63397794  0.85908958
   0.04220020  0.89984114  0.60136540
   0.31764491  0.97268311  0.68293897
   0.61828004  0.13267269  1.00654924
   0.84639528  0.12866967  0.35389704
   0.62140214  0.40949564  0.12032277
   0.87775332  0.28783912  0.15776274
   0.60715436  0.17011663  0.49565148
   0.87407103  0.10129989  0.86657203
   0.58717712  0.45556816  0.60505457
   0.75667265  0.36201315  0.78903131
   0.61401427  0.65089473 -0.00468495
   0.91602733  0.60384536  0.38092232
   0.58051571  0.89619732  0.13908564
   0.84142140  0.84660829  0.26475535
   0.65811048  0.66190522  0.46676740
   0.87651784  0.60605656  0.88676654
   0.61566200  0.93625391  0.62621866
   0.83348967  0.85465114  0.75792922
   0.10968811  0.06067564  0.12699019
   0.31555191  0.17847088  0.27902515
   0.15903537  0.31390768  0.01531617
   0.37867169  0.41325334  0.35861451
   0.53644611  0.34892566  0.20585583
   0.28879648  0.38699540  0.16529896
   0.22224794  0.08694708  0.46344266
  -0.00919251  0.20540112  0.39868071
  -0.01090701  0.05489920  0.56033226
   0.46412601  0.24247877  0.76430408
   0.11782185  0.29769052  0.55212313
   0.36158932  0.46704099  0.83805838
   0.44830590  0.44603599  0.65577220
   0.21286912  0.36990367  0.71733717
   0.24709873  0.18671153 -0.14788996
   0.00611607  0.15109425  0.92413904
   0.12043757  0.56806407  0.08216387
   0.39346969  0.67755242  0.26484074
   0.10374271  0.83433853  0.02471936
   0.34092811  0.91963788  0.34674026
   0.41951525  0.89657043  0.17240386
   0.17952044  0.80810195  0.20863616
   0.32889854  0.66230068  0.44706014
   0.07185500  0.56813731  0.41863129
   0.19185414  0.55402206  0.57814656
   0.34881755  0.69958411  0.75307599
   0.09208887  0.79877963  0.51124402
   0.39109872  0.97663970  0.79060586
   0.44359083  0.89412044  0.62597034
   0.17445135  0.90838504  0.67521884
   0.29171754  0.67226646 -0.04898155
   0.03517683  0.65330373  0.90285587
   0.60702001  0.05501026  0.11023938
   0.82531718  0.18716109  0.24555154
   0.63445361  0.29753989  0.03585683
   0.87467386  0.45343655  0.34629559
   0.02937707  0.35223997  0.17273138
   0.78655402  0.42597398  0.14716002
   0.71768077  0.16564612  0.41434622
   0.47906212  0.10832503  0.43482330
   0.62528685  0.09854335  0.59746799
   0.84124305  0.21842251  0.78142763
   0.60493694  0.33065490  0.52981883
   0.86070485  0.45126825  0.85248983
   0.97875202  0.43973945  0.66907344
   0.70962634  0.42045428  0.68383231
   0.75190383  0.09590822  0.94347944
   0.49107632  0.09801907  0.93238336
   0.56006062  0.54983439  0.07812819
   0.90357245  0.70199786  0.28898497
   0.60980792  0.79900552  0.04914513
   0.86997695  0.96449460  0.34890215
   0.92736128  0.88981080  0.17425057
   0.68812371  0.85132358  0.22392236
   0.82029264  0.68166290  0.47053389
   0.57065315  0.57187844  0.39331890
   0.61262369  0.61209009  0.57199308
   0.80540167  0.70898043  0.80666224
   0.61347231  0.82325753  0.43915018
   0.91422688  0.94883340  0.82688230
   0.92011223  0.82419141  0.65990526
   0.68524817  0.93825183  0.73973896
   0.78596695  0.61681785  0.98406017
   0.54598904  0.64539747  0.89176004
   0.69419566  0.85013363  0.57730389
   0.53285254  0.86539513  0.40849062
   0.86680728  0.21720860  0.06646464
   0.96449731  0.42471755  0.31102018
   0.30943262  0.11250075  0.63733807
   0.42313797  0.75648659  0.72840243
   0.15987223  1.11036944  0.16292986
   0.23257474  1.06686708 -0.01339421
   0.64329326  0.33364943  0.85455672
   0.90066543  0.38194281  0.64483819
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921738   -0.020937   -0.064122
    -0.000000    9.855266    0.064896
    -0.000000    0.000000   13.954286
   Si   O    H 
    32    64    10
Direct configuration=  1893
   0.15599189  0.18580274 -0.04965714
   0.33517722  0.08664776  0.37769880
   0.15739496  0.41203400  0.10379981
   0.38343836  0.32386425  0.25221064
   0.08349272  0.15241445  0.48943176
   0.39763200  0.12493665  0.83493389
   0.12748696  0.41460469  0.63003577
   0.37318493  0.37546364  0.74727765
   0.13749273  0.68428656 -0.00425726
   0.41290458  0.58009303  0.36511475
   0.07453854  0.89737042  0.13146043
   0.32189405  0.82159811  0.25067770
   0.16766876  0.65683044  0.48824430
   0.39107913  0.63428812  0.85746722
   0.04186675  0.89889677  0.60121205
   0.31707657  0.97282653  0.68232399
   0.61876591  0.13333497  1.00740794
   0.84668793  0.12873018  0.35415162
   0.62052993  0.40941652  0.12020222
   0.87814875  0.28533746  0.15840669
   0.60701382  0.17096932  0.49627406
   0.87528819  0.10227847  0.86594437
   0.58802215  0.45509415  0.60468874
   0.75583888  0.36207184  0.78882411
   0.61439332  0.65091359 -0.00374929
   0.91672961  0.60226290  0.38171840
   0.58098838  0.89470928  0.13918123
   0.84026134  0.84679301  0.26543009
   0.65801107  0.66230405  0.46736112
   0.87739206  0.60432715  0.88753086
   0.61485135  0.93629010  0.62645670
   0.83264781  0.85455025  0.75765563
   0.10880885  0.05755194  0.12654750
   0.31350884  0.17832107  0.27797755
   0.15866961  0.31300750  0.01412629
   0.37838196  0.41497874  0.35754553
   0.53737706  0.35010745  0.20674132
   0.28735774  0.38747417  0.16522430
   0.22208968  0.08672255  0.46199332
  -0.00955386  0.20632819  0.39851970
  -0.00984128  0.05570381  0.55939122
   0.46443337  0.24272318  0.76348953
   0.11873418  0.29512056  0.55171987
   0.36300569  0.46789226  0.83785363
   0.44727656  0.44590158  0.65645284
   0.21346867  0.36970020  0.71766358
   0.24603289  0.18685873 -0.14677436
   0.00736394  0.15045221  0.92381678
   0.12007311  0.56864316  0.08174586
   0.39263961  0.67761084  0.26568727
   0.10371529  0.83544665  0.02481054
   0.33969954  0.92056924  0.34714609
   0.41816630  0.89892600  0.17236435
   0.17971448  0.80678347  0.20833616
   0.32854460  0.66148634  0.44717660
   0.07250731  0.56899480  0.41831305
   0.19101324  0.55471115  0.57798725
   0.34824169  0.70104675  0.75305660
   0.09384992  0.79886207  0.51342414
   0.39199793  0.97527220  0.79117828
   0.44288911  0.89397908  0.62636578
   0.17530461  0.90800215  0.67553840
   0.29134496  0.67377903 -0.04914600
   0.03574612  0.65357177  0.90266991
   0.60793326  0.05589996  0.11051416
   0.82591283  0.18722852  0.24482757
   0.63556399  0.29683897  0.03548000
   0.87517066  0.45295759  0.34505512
   0.03026892  0.35113111  0.17162273
   0.78689055  0.42496681  0.14668587
   0.71706999  0.16569005  0.41464156
   0.47736706  0.10701272  0.43433126
   0.62702692  0.09899209  0.59730966
   0.84073127  0.21788750  0.78119735
   0.60551765  0.32898479  0.52965057
   0.86059085  0.44995670  0.85265022
   0.97850508  0.44159584  0.66982466
   0.70965209  0.42029973  0.68361318
   0.75223103  0.09626059  0.94383836
   0.49031423  0.09779738  0.93326725
   0.56171053  0.54950218  0.07847703
   0.90276692  0.70310633  0.28995294
   0.60966946  0.79918931  0.04941239
   0.86713835  0.96327808  0.34971374
   0.92638128  0.89103525  0.17410572
   0.68852339  0.85108832  0.22413196
   0.82050439  0.68021574  0.46996226
   0.57138311  0.57114763  0.39290298
   0.61233540  0.61201023  0.57188181
   0.80678283  0.70882159  0.80603356
   0.61473586  0.82272659  0.43921155
   0.91650333  0.94926286  0.82616929
   0.92030829  0.82507294  0.66066069
   0.68562152  0.93725413  0.73960062
   0.78500550  0.61862943  0.98443031
   0.54731966  0.64310812  0.89089679
   0.69562823  0.84467636  0.57382560
   0.54364357  0.86278532  0.40737010
   0.87466650  0.21386613  0.06888068
   0.96669698  0.42615893  0.30712600
   0.31487386  0.11163163  0.63968895
   0.42056057  0.74468006  0.72730406
   0.17244734  1.12212287  0.17200098
   0.23459428  1.06594535 -0.01170664
   0.63971159  0.33643289  0.85456515
   0.90469828  0.37998346  0.64474893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919858   -0.019530   -0.063918
    -0.000000    9.856993    0.063999
    -0.000000    0.000000   13.955033
   Si   O    H 
    32    64    10
Direct configuration=  1894
   0.15586033  0.18510953 -0.04931647
   0.33444295  0.08806849  0.37680254
   0.15586477  0.41160595  0.10317972
   0.38319376  0.32465242  0.25170357
   0.08284984  0.15215463  0.48877798
   0.39812153  0.12488976  0.83492995
   0.12663251  0.41421338  0.62938927
   0.37216292  0.37594690  0.74759870
   0.13854094  0.68604271 -0.00381951
   0.41227330  0.58148834  0.36546843
   0.07529048  0.89551291  0.13096489
   0.32154891  0.82229660  0.25078228
   0.16886468  0.65563401  0.48910649
   0.39074659  0.63429760  0.85560994
   0.04124678  0.89819048  0.60095267
   0.31684198  0.97316171  0.68174553
   0.61956855  0.13430143  1.00792557
   0.84681370  0.12902212  0.35399386
   0.61999793  0.40919884  0.11976968
   0.87892447  0.28335841  0.15891224
   0.60654630  0.17246860  0.49664828
   0.87566370  0.10386877  0.86503452
   0.58893134  0.45425209  0.60452475
   0.75511483  0.36231002  0.78913933
   0.61542231  0.65131341 -0.00280274
   0.91711740  0.60110993  0.38250791
   0.58147367  0.89372568  0.13907989
   0.83998751  0.84673406  0.26573123
   0.65774271  0.66317834  0.46802738
   0.87834469  0.60270895  0.88833004
   0.61375818  0.93659444  0.62706932
   0.83215704  0.85422750  0.75728717
   0.10804657  0.05541862  0.12655778
   0.31198986  0.17874672  0.27671006
   0.15853715  0.31276384  0.01325239
   0.37890882  0.41674025  0.35676751
   0.53700187  0.35078512  0.20786434
   0.28679747  0.38809179  0.16511796
   0.22151654  0.08662845  0.45996073
  -0.01055700  0.20681212  0.39872164
  -0.00886815  0.05584341  0.55838372
   0.46556737  0.24241857  0.76234652
   0.11965153  0.29295650  0.55117698
   0.36536066  0.46945527  0.83828575
   0.44673624  0.44620743  0.65713404
   0.21519941  0.36981123  0.71783125
   0.24557511  0.18659778 -0.14565288
   0.00750147  0.15045034  0.92384140
   0.11975075  0.56974615  0.08106970
   0.39124555  0.67729221  0.26657022
   0.10463707  0.83746150  0.02552268
   0.33808450  0.92177627  0.34807640
   0.41824384  0.90020724  0.17250780
   0.17966933  0.80548051  0.20800825
   0.32774787  0.66118561  0.44684202
   0.07266962  0.57014179  0.41820385
   0.19005074  0.55513884  0.57810178
   0.34660093  0.70136214  0.75441289
   0.09519591  0.79932806  0.51529199
   0.39288731  0.97324227  0.79149819
   0.44236177  0.89405286  0.62640280
   0.17534990  0.90733144  0.67572931
   0.29166430  0.67533707 -0.04929789
   0.03513897  0.65270638  0.90250807
   0.60827111  0.05596959  0.11067787
   0.82669465  0.18731259  0.24475927
   0.63564640  0.29628674  0.03494751
   0.87579264  0.45274462  0.34343171
   0.03138275  0.35092542  0.17070820
   0.78701769  0.42494561  0.14612748
   0.71730849  0.16541012  0.41555407
   0.47563230  0.10580739  0.43369139
   0.62864460  0.09873612  0.59715908
   0.84028817  0.21672664  0.78091873
   0.60632806  0.32728987  0.52946923
   0.86118079  0.45016001  0.85273439
   0.97770116  0.44307482  0.66997807
   0.70989112  0.41999199  0.68407434
   0.75294254  0.09641615  0.94439130
   0.48942121  0.09813752  0.93406313
   0.56293608  0.54936277  0.07849213
   0.90155811  0.70315721  0.29092915
   0.60897532  0.79957995  0.04930107
   0.86450395  0.96224457  0.35054977
   0.92567275  0.89202181  0.17346827
   0.68910446  0.85111456  0.22416142
   0.82121960  0.67815452  0.46904015
   0.57182685  0.57110353  0.39276816
   0.61296285  0.61150799  0.57230001
   0.80695741  0.70869089  0.80568385
   0.61656361  0.82185093  0.44023993
   0.91850481  0.95115656  0.82559308
   0.92066124  0.82559901  0.66150798
   0.68550370  0.93589918  0.73861173
   0.78318797  0.62119628  0.98410396
   0.54842957  0.64182021  0.89033165
   0.69686014  0.84164955  0.57097358
   0.54399801  0.86162627  0.40389023
   0.88399411  0.21013766  0.07225011
   0.95797402  0.42533283  0.30589835
   0.31649980  0.10877298  0.64020284
   0.42809996  0.74461273  0.71991037
   0.17289412  1.11944935  0.17566355
   0.23524769  1.06516866 -0.01024630
   0.63826862  0.34126688  0.85133279
   0.91332896  0.38406642  0.64695226
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918187   -0.018277   -0.063486
    -0.000000    9.858485    0.062391
    -0.000000    0.000000   13.955816
   Si   O    H 
    32    64    10
Direct configuration=  1895
   0.15629273  0.18377067 -0.04885739
   0.33418992  0.08908339  0.37575781
   0.15401463  0.41114431  0.10271483
   0.38281864  0.32540904  0.25128175
   0.08202647  0.15253117  0.48803944
   0.39920036  0.12548463  0.83484515
   0.12636280  0.41455942  0.62889231
   0.37125819  0.37618251  0.74750310
   0.13944654  0.68730103 -0.00317630
   0.41189230  0.58260712  0.36587949
   0.07643899  0.89377290  0.13066644
   0.32231495  0.82294703  0.25085315
   0.17032391  0.65486128  0.48996381
   0.39032920  0.63411341  0.85391726
   0.04064867  0.89750071  0.60053294
   0.31710362  0.97405220  0.68100278
   0.62024286  0.13508617  1.00803063
   0.84716759  0.12933970  0.35377485
   0.61966528  0.40853611  0.11886011
   0.87952980  0.28182983  0.15976863
   0.60555112  0.17388411  0.49702167
   0.87623701  0.10540183  0.86407813
   0.59031207  0.45333416  0.60459501
   0.75437739  0.36209948  0.78967220
   0.61600173  0.65193758 -0.00195911
   0.91730332  0.60000747  0.38318176
   0.58203435  0.89290587  0.13915781
   0.83970313  0.84672590  0.26631204
   0.65681021  0.66453458  0.46871421
   0.87923758  0.60074896  0.88907188
   0.61240945  0.93653779  0.62798777
   0.83157635  0.85405247  0.75712622
   0.10832549  0.05476004  0.12702415
   0.31028904  0.17959415  0.27602974
   0.15928075  0.31339283  0.01252365
   0.37994843  0.41895061  0.35588946
   0.53666982  0.35118057  0.20911702
   0.28680399  0.38856999  0.16555195
   0.22044491  0.08642278  0.45745449
  -0.01169009  0.20716404  0.39890597
  -0.00754315  0.05543740  0.55820149
   0.46730008  0.24116287  0.76127810
   0.11948229  0.29070061  0.55029963
   0.36699101  0.47106629  0.83912584
   0.44538066  0.44653077  0.65799278
   0.21664251  0.37088375  0.71757432
   0.24566156  0.18666205 -0.14526212
   0.00703899  0.15032562  0.92420942
   0.11909016  0.57009005  0.08025441
   0.39089268  0.67638792  0.26703405
   0.10482665  0.83915866  0.02636066
   0.33688207  0.92318036  0.34886572
   0.41881675  0.90100252  0.17270611
   0.17871205  0.80409516  0.20675888
   0.32728067  0.66075128  0.44559000
   0.07317373  0.57170510  0.41753926
   0.18802391  0.55523037  0.57832519
   0.34589628  0.70183128  0.75593627
   0.09623770  0.79995962  0.51659232
   0.39236278  0.97150129  0.79196170
   0.44245060  0.89371726  0.62617342
   0.17515180  0.90570547  0.67589370
   0.29262677  0.67728254 -0.04917219
   0.03454384  0.65191680  0.90247976
   0.60884723  0.05541538  0.11060596
   0.82705968  0.18648702  0.24529835
   0.63537115  0.29518640  0.03469341
   0.87595429  0.45221598  0.34220622
   0.03214110  0.35070440  0.17026191
   0.78737718  0.42504753  0.14516819
   0.71764281  0.16544264  0.41543064
   0.47432662  0.10434048  0.43327090
   0.63069272  0.09783118  0.59710633
   0.84060677  0.21564606  0.78045220
   0.60721972  0.32689547  0.52965689
   0.86169191  0.45046514  0.85254514
   0.97757099  0.44513539  0.67034677
   0.71041638  0.41980097  0.68396145
   0.75326385  0.09631508  0.94472131
   0.48848817  0.09873090  0.93414773
   0.56333398  0.54859554  0.07814473
   0.90074392  0.70267935  0.29253528
   0.60807097  0.80030629  0.04896565
   0.86192760  0.96166370  0.35044635
   0.92524234  0.89293226  0.17320249
   0.68949767  0.85151374  0.22421694
   0.82222627  0.67670689  0.46786368
   0.57212283  0.57121381  0.39257701
   0.61397392  0.61113406  0.57263452
   0.80674866  0.70836091  0.80569771
   0.61829123  0.82088475  0.44113047
   0.92026697  0.95363523  0.82457062
   0.92086756  0.82649963  0.66177578
   0.68499803  0.93452956  0.73731884
   0.78150075  0.62348323  0.98342123
   0.54994131  0.64121264  0.88935359
   0.70020633  0.84412467  0.57007950
   0.53920684  0.85912211  0.39969431
   0.89349202  0.20398418  0.07598834
   0.94349479  0.42431070  0.30423998
   0.31853330  0.10890116  0.64222796
   0.42740384  0.74235823  0.71658723
   0.16448445  1.11119230  0.17236117
   0.23640178  1.06609355 -0.00700789
   0.63852833  0.34661170  0.84919302
   0.91249460  0.38125210  0.64689690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916291   -0.016414   -0.062896
    -0.000000    9.859866    0.060806
    -0.000000    0.000000   13.956733
   Si   O    H 
    32    64    10
Direct configuration=  1896
   0.15695381  0.18245727 -0.04861099
   0.33372230  0.08924365  0.37522016
   0.15233680  0.40984489  0.10219333
   0.38196476  0.32601182  0.25077346
   0.08087362  0.15355827  0.48759795
   0.40002657  0.12596923  0.83461525
   0.12540818  0.41485195  0.62854035
   0.36990626  0.37629148  0.74718621
   0.14006015  0.68802466 -0.00288100
   0.41145111  0.58342354  0.36566135
   0.07747219  0.89262381  0.13031868
   0.32313110  0.82333895  0.25108467
   0.17188235  0.65461455  0.49062557
   0.38993677  0.63377685  0.85256794
   0.04014813  0.89755032  0.60052375
   0.31837909  0.97453001  0.68043653
   0.62078698  0.13536008  1.00799684
   0.84750635  0.12950645  0.35332261
   0.62027963  0.40785558  0.11849178
   0.88072675  0.28091037  0.16002955
   0.60451291  0.17483834  0.49710049
   0.87750917  0.10659308  0.86335409
   0.59168613  0.45235226  0.60433112
   0.75350150  0.36216359  0.79023834
   0.61688549  0.65240300 -0.00094929
   0.91778989  0.59969653  0.38418031
   0.58259292  0.89344631  0.13956221
   0.83983645  0.84678271  0.26672953
   0.65595406  0.66576649  0.46909876
   0.88024485  0.59912241  0.88969586
   0.61139412  0.93648070  0.62961633
   0.83079604  0.85402258  0.75661543
   0.10872799  0.05442842  0.12747118
   0.30852645  0.17955259  0.27636415
   0.16014252  0.31460671  0.01235461
   0.38070231  0.42038433  0.35464880
   0.53538769  0.35142828  0.21020295
   0.28716654  0.38815611  0.16642673
   0.22015234  0.08673088  0.45532892
  -0.01264586  0.20720932  0.39921103
  -0.00551587  0.05363733  0.55788676
   0.46848769  0.23958162  0.75988327
   0.11879501  0.28904634  0.54897731
   0.36857808  0.47345711  0.84096237
   0.44305098  0.44729881  0.65853200
   0.21747270  0.37196439  0.71776932
   0.24636618  0.18651960 -0.14501250
   0.00566676  0.14902402  0.92413109
   0.11911394  0.57013440  0.07940267
   0.39120414  0.67493872  0.26752064
   0.10475332  0.84061858  0.02702435
   0.33635527  0.92427456  0.34940143
   0.42029411  0.90107194  0.17153270
   0.17680122  0.80376373  0.20581555
   0.32743255  0.66016534  0.44463636
   0.07282061  0.57343582  0.41667708
   0.18615419  0.55452506  0.57885529
   0.34576813  0.70365493  0.75661957
   0.09769141  0.79985683  0.51741951
   0.39231373  0.97076616  0.79225811
   0.44362711  0.89310245  0.62653769
   0.17414553  0.90427199  0.67536037
   0.29407706  0.67858598 -0.04944521
   0.03440942  0.65100186  0.90285975
   0.60933144  0.05521650  0.11079891
   0.82735814  0.18611657  0.24625222
   0.63488207  0.29421240  0.03433610
   0.87496415  0.45225145  0.34177953
   0.03284006  0.35023723  0.16977779
   0.78645413  0.42484254  0.14481120
   0.71860177  0.16479194  0.41511130
   0.47336122  0.10333104  0.43330802
   0.63244170  0.09628050  0.59772161
   0.84028787  0.21443286  0.77989348
   0.60755992  0.32744295  0.53008312
   0.86232106  0.44983796  0.85182568
   0.97791627  0.44793404  0.67053026
   0.71032545  0.42006687  0.68403769
   0.75295090  0.09592017  0.94458302
   0.48823367  0.09908521  0.93388112
   0.56328940  0.54703727  0.07735060
   0.89988712  0.70207410  0.29456874
   0.60692431  0.80051749  0.04799770
   0.85981139  0.96178317  0.35066284
   0.92515978  0.89307298  0.17306397
   0.68892407  0.85223560  0.22439137
   0.82338522  0.67557006  0.46710033
   0.57258925  0.57145776  0.39217274
   0.61455685  0.61139184  0.57325871
   0.80681870  0.70763533  0.80571117
   0.61885384  0.82079665  0.44159431
   0.92204776  0.95683153  0.82406933
   0.92078971  0.82736394  0.66220269
   0.68446392  0.93301607  0.73574008
   0.78010454  0.62544499  0.98275280
   0.55185972  0.64071523  0.88892315
   0.70246348  0.85400499  0.56991982
   0.54451733  0.85080624  0.40101264
   0.90244210  0.19726600  0.07686412
   0.94427998  0.41914008  0.29645666
   0.32155818  0.11192771  0.64410895
   0.41840642  0.73567955  0.71667353
   0.15247367  1.10294848  0.16505639
   0.23446015  1.07031931 -0.00517377
   0.63845132  0.35086228  0.84646617
   0.91195642  0.37904455  0.64226910
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914098   -0.013627   -0.062676
    -0.000000    9.860757    0.059351
    -0.000000    0.000000   13.957866
   Si   O    H 
    32    64    10
Direct configuration=  1897
   0.15799737  0.18093522 -0.04823748
   0.33372939  0.08958484  0.37497961
   0.15041952  0.40835734  0.10188726
   0.38120491  0.32650397  0.25022555
   0.07983724  0.15429655  0.48799534
   0.40091471  0.12660043  0.83431336
   0.12440609  0.41544957  0.62807324
   0.36896319  0.37685221  0.74675398
   0.14053237  0.68798124 -0.00254615
   0.41110367  0.58454705  0.36525355
   0.07817779  0.89189570  0.13100665
   0.32399865  0.82423559  0.25134955
   0.17326400  0.65432983  0.49089950
   0.38967511  0.63291412  0.85171345
   0.04002031  0.89794729  0.60001426
   0.32052738  0.97492760  0.68017661
   0.62151495  0.13614312  1.00761704
   0.84749856  0.13002164  0.35247635
   0.62119419  0.40746040  0.11770212
   0.88180071  0.28045126  0.15996310
   0.60392894  0.17555783  0.49696121
   0.87827522  0.10737665  0.86240931
   0.59241004  0.45184933  0.60417129
   0.75280020  0.36197710  0.79050586
   0.61809060  0.65350404 -0.00044342
   0.91810170  0.59971915  0.38520416
   0.58214042  0.89394056  0.14019217
   0.84057105  0.84688837  0.26712845
   0.65526425  0.66681351  0.46915380
   0.88091928  0.59743277  0.88970084
   0.61024102  0.93648574  0.63122879
   0.82997896  0.85420497  0.75593472
   0.10818596  0.05309159  0.12701106
   0.30719744  0.17923961  0.27644323
   0.16085542  0.31642955  0.01161735
   0.38090973  0.42172569  0.35293067
   0.53378312  0.35186027  0.21109167
   0.28764356  0.38774538  0.16801948
   0.21990525  0.08696829  0.45295999
  -0.01297571  0.20768360  0.39951069
  -0.00426539  0.05223778  0.55700450
   0.46946344  0.23767272  0.75840383
   0.11874186  0.28782009  0.54814749
   0.37000675  0.47461440  0.84222676
   0.44084137  0.44883512  0.65815407
   0.21741728  0.37274849  0.71793351
   0.24694970  0.18533582 -0.14538788
   0.00484452  0.14765144  0.92400507
   0.11925317  0.57018808  0.07937085
   0.39140726  0.67281200  0.26798259
   0.10466035  0.84156632  0.02749863
   0.33557577  0.92488724  0.34976836
   0.42216140  0.90057550  0.17086104
   0.17447778  0.80303063  0.20490678
   0.32640589  0.66029091  0.44406598
   0.07217718  0.57506396  0.41520422
   0.18413295  0.55290421  0.57927521
   0.34601404  0.70617865  0.75750717
   0.09904580  0.79951108  0.51785073
   0.39119676  0.97052589  0.79296990
   0.44536638  0.89181504  0.62685940
   0.17350353  0.90274033  0.67444567
   0.29488530  0.68032383 -0.04938274
   0.03439174  0.64991437  0.90389530
   0.60854037  0.05393993  0.11115301
   0.82890261  0.18569309  0.24755743
   0.63394825  0.29345639  0.03482617
   0.87343779  0.45216153  0.34185095
   0.03321649  0.34983469  0.16950413
   0.78542809  0.42330861  0.14515710
   0.71923763  0.16407932  0.41530767
   0.47274490  0.10300527  0.43298464
   0.63346213  0.09515802  0.59786438
   0.83962324  0.21308530  0.77925508
   0.60783791  0.32844592  0.53043865
   0.86215123  0.44963340  0.85102011
   0.97840168  0.44954283  0.67074483
   0.71015001  0.42044567  0.68368128
   0.75269001  0.09679392  0.94375484
   0.48821870  0.10043266  0.93465952
   0.56305568  0.54584347  0.07653084
   0.89901284  0.70122236  0.29650604
   0.60507209  0.80123512  0.04710636
   0.85838133  0.96207044  0.35038406
   0.92533671  0.89313569  0.17243151
   0.68713882  0.85241997  0.22449813
   0.82462402  0.67423492  0.46604954
   0.57219980  0.57164326  0.39155938
   0.61505444  0.61097141  0.57393833
   0.80812552  0.70672155  0.80643445
   0.61907594  0.82024509  0.44202783
   0.92279383  0.96055004  0.82356452
   0.92067510  0.82831296  0.66236067
   0.68415016  0.93127412  0.73459475
   0.77984369  0.62682420  0.98237077
   0.55393860  0.63943221  0.88888878
   0.70232248  0.86145467  0.57088889
   0.55141850  0.84373044  0.40505527
   0.90999773  0.18899546  0.07645942
   0.94714929  0.41379195  0.28859371
   0.32479830  0.11584730  0.64528161
   0.40933083  0.73056560  0.71464187
   0.16158913  1.12041256  0.17407416
   0.23227786  1.07274639 -0.00150611
   0.63343384  0.35355334  0.84507219
   0.91524797  0.38459839  0.64134220
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911335   -0.009762   -0.062162
    -0.000000    9.861320    0.057291
    -0.000000    0.000000   13.958991
   Si   O    H 
    32    64    10
Direct configuration=  1898
   0.15924069  0.17964214 -0.04808148
   0.33306336  0.08932673  0.37440700
   0.14874757  0.40784413  0.10172912
   0.38095042  0.32681971  0.24956151
   0.07891100  0.15493483  0.48829229
   0.40194847  0.12720921  0.83396289
   0.12327485  0.41638087  0.62736702
   0.36866603  0.37717292  0.74677728
   0.14121761  0.68700314 -0.00242834
   0.41120123  0.58518899  0.36483532
   0.07846608  0.89107090  0.13198105
   0.32505976  0.82508651  0.25165215
   0.17362504  0.65444807  0.49111313
   0.38984364  0.63176906  0.85162856
   0.04017532  0.89852575  0.59962147
   0.32249724  0.97495341  0.67998878
   0.62162368  0.13650000  1.00746638
   0.84749515  0.13039858  0.35208999
   0.62263718  0.40681777  0.11721978
   0.88318218  0.28013422  0.15954771
   0.60321721  0.17550046  0.49691660
   0.87885547  0.10818074  0.86194169
   0.59252824  0.45099807  0.60408966
   0.75225083  0.36165958  0.79063126
   0.61889887  0.65429859 -0.00053752
   0.91776946  0.59962592  0.38641716
   0.58184554  0.89444751  0.14071214
   0.84103669  0.84661597  0.26746337
   0.65421751  0.66783305  0.46912598
   0.88105699  0.59658662  0.88951533
   0.60949573  0.93719553  0.63202019
   0.82922155  0.85367854  0.75527079
   0.10825924  0.05201881  0.12734366
   0.30568212  0.17836062  0.27674356
   0.16160497  0.31816403  0.01054786
   0.38170020  0.42307635  0.35166821
   0.53286714  0.35223171  0.21208701
   0.28718080  0.38678535  0.16897698
   0.21818837  0.08744716  0.45135729
  -0.01406722  0.20743004  0.39984748
  -0.00384252  0.05017762  0.55672925
   0.47040856  0.23571427  0.75754018
   0.11803399  0.28732626  0.54816286
   0.37104046  0.47445731  0.84386805
   0.43905509  0.45038976  0.65774551
   0.21641113  0.37347719  0.71823772
   0.24837034  0.18436414 -0.14561031
   0.00543049  0.14703283  0.92357605
   0.11964035  0.57041673  0.07936776
   0.39082984  0.67069921  0.26846039
   0.10499203  0.84194411  0.02772236
   0.33535795  0.92527088  0.34977832
   0.42399416  0.89978771  0.17028461
   0.17228304  0.80246080  0.20351153
   0.32524558  0.65952537  0.44394306
   0.07169679  0.57682742  0.41422763
   0.18219293  0.55213932  0.57954834
   0.34500199  0.70782359  0.75921418
   0.10004731  0.79842477  0.51891526
   0.39000775  0.97130648  0.79369326
   0.44672394  0.89114467  0.62714189
   0.17301914  0.90252435  0.67329401
   0.29531691  0.68124337 -0.04954902
   0.03523189  0.64839610  0.90526989
   0.60701984  0.05319779  0.11108568
   0.82935092  0.18587992  0.24830777
   0.63336020  0.29228506  0.03601467
   0.87293747  0.45141389  0.34163567
   0.03334769  0.34857089  0.16977257
   0.78419851  0.42054407  0.14565477
   0.71872444  0.16309383  0.41532478
   0.47329069  0.10325777  0.43251970
   0.63389665  0.09430463  0.59778658
   0.83952405  0.21171476  0.77880224
   0.60778846  0.33038211  0.53096536
   0.86128595  0.44880755  0.84982495
   0.97827987  0.45120187  0.67084860
   0.71102776  0.42062687  0.68281693
   0.75248035  0.09776472  0.94238232
   0.48823267  0.10223671  0.93594411
   0.56310910  0.54477893  0.07544874
   0.89841041  0.70058786  0.29772337
   0.60350611  0.80148416  0.04614150
   0.85748728  0.96241029  0.35045904
   0.92496934  0.89368603  0.17176438
   0.68522846  0.85210377  0.22445858
   0.82606496  0.67254082  0.46491178
   0.57205888  0.57203036  0.39105156
   0.61591628  0.61094610  0.57462472
   0.80875645  0.70515937  0.80721320
   0.62073488  0.82033327  0.44293508
   0.92355649  0.96394732  0.82283526
   0.92082577  0.82961819  0.66273630
   0.68389349  0.92982008  0.73368502
   0.77998042  0.62874431  0.98214824
   0.55550403  0.63896604  0.88920761
   0.70216408  0.86671952  0.57103428
   0.54070657  0.84890235  0.39822713
   0.91055515  0.18293072  0.07783335
   0.94216676  0.42071247  0.29062009
   0.32494694  0.11432620  0.64481471
   0.41124877  0.73290927  0.70341425
   0.16207566  1.13055461  0.17778563
   0.23279802  1.07753099  0.00325579
   0.62819876  0.35661872  0.84440594
   0.91942878  0.39077218  0.64048495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908135   -0.005699   -0.062032
    -0.000000    9.861245    0.055240
    -0.000000    0.000000   13.959696
   Si   O    H 
    32    64    10
Direct configuration=  1899
   0.16047863  0.17825178 -0.04814846
   0.33274048  0.08910678  0.37395263
   0.14747795  0.40744416  0.10214936
   0.38102463  0.32723402  0.24920819
   0.07860236  0.15570399  0.48881127
   0.40306308  0.12792720  0.83401599
   0.12199944  0.41765368  0.62653982
   0.36840248  0.37726483  0.74635615
   0.14207280  0.68591954 -0.00274492
   0.41212522  0.58519489  0.36477058
   0.07911622  0.89099794  0.13308087
   0.32685235  0.82552682  0.25150891
   0.17354031  0.65459277  0.49119245
   0.38982079  0.63058197  0.85186839
   0.04101579  0.89884081  0.59917389
   0.32442838  0.97419117  0.67985003
   0.62196834  0.13701795  1.00734027
   0.84751810  0.13052099  0.35224746
   0.62352760  0.40677385  0.11717314
   0.88416434  0.27924098  0.15898053
   0.60289138  0.17532213  0.49627458
   0.87950358  0.10883745  0.86206287
   0.59223683  0.45020665  0.60379102
   0.75219752  0.36119919  0.79076210
   0.61975856  0.65584431 -0.00048576
   0.91714667  0.59921776  0.38732096
   0.58176332  0.89500045  0.14186146
   0.84150757  0.84654265  0.26767934
   0.65328717  0.66841190  0.46917502
   0.88163528  0.59677268  0.88920173
   0.60931781  0.93765945  0.63234002
   0.82888533  0.85334797  0.75449951
   0.10864899  0.05158359  0.12782343
   0.30450239  0.17675792  0.27729172
   0.16194597  0.31838315  0.00922956
   0.38183387  0.42368712  0.35034327
   0.53262735  0.35279148  0.21308248
   0.28629725  0.38587286  0.16937535
   0.21531806  0.08803860  0.45067698
  -0.01557710  0.20706459  0.39991319
  -0.00410408  0.04817012  0.55650083
   0.47107562  0.23369427  0.75694324
   0.11814099  0.28726530  0.54808342
   0.37141752  0.47293906  0.84606766
   0.43878617  0.45157101  0.65665476
   0.21472655  0.37427701  0.71846531
   0.24953458  0.18420680 -0.14710483
   0.00655339  0.14664505  0.92327943
   0.11993102  0.57060037  0.07931654
   0.38991772  0.66974745  0.26844197
   0.10446523  0.84183295  0.02751392
   0.33470894  0.92503278  0.34904368
   0.42524439  0.89831219  0.16974389
   0.17034783  0.80253096  0.20196051
   0.32358868  0.65905723  0.44422164
   0.07167387  0.57778163  0.41337746
   0.18097562  0.55152644  0.58050081
   0.34375157  0.70977283  0.76070119
   0.10004726  0.79714526  0.51958427
   0.38870845  0.97157520  0.79448913
   0.44945504  0.89049563  0.62693854
   0.17289793  0.90156737  0.67240971
   0.29631532  0.68254406 -0.04942285
   0.03662921  0.64711816  0.90654427
   0.60571311  0.05172125  0.11037859
   0.82940985  0.18717693  0.24877165
   0.63226395  0.29123633  0.03684977
   0.87265367  0.45036772  0.34129791
   0.03370857  0.34716510  0.17004498
   0.78352613  0.41808346  0.14606475
   0.71839477  0.16177116  0.41547604
   0.47342768  0.10404167  0.43202445
   0.63445512  0.09399092  0.59714607
   0.83874924  0.21109692  0.77795976
   0.60711378  0.33169327  0.53087849
   0.86151032  0.44772280  0.84877583
   0.97801495  0.45312297  0.67113483
   0.71230772  0.42017354  0.68205253
   0.75221717  0.09862765  0.94132178
   0.48798869  0.10363266  0.93682607
   0.56200893  0.54333960  0.07387590
   0.89798169  0.70012801  0.29824989
   0.60204619  0.80135040  0.04576775
   0.85662166  0.96300812  0.35018220
   0.92548074  0.89397864  0.17123969
   0.68303471  0.85148438  0.22461398
   0.82603837  0.67044253  0.46408248
   0.57282110  0.57136552  0.39073534
   0.61594333  0.60987720  0.57560344
   0.80936536  0.70333512  0.80779305
   0.62127282  0.82082410  0.44348731
   0.92342731  0.96661045  0.82212003
   0.92104617  0.83098872  0.66323756
   0.68510334  0.92813920  0.73358382
   0.78005264  0.63034203  0.98158973
   0.55754699  0.63866659  0.88987260
   0.70324491  0.87130794  0.57361481
   0.53575021  0.85135177  0.39676422
   0.90569977  0.17905270  0.08124745
   0.93336217  0.43461906  0.30046841
   0.32163277  0.11081290  0.64556418
   0.40860594  0.73201074  0.69811966
   0.15618503  1.12323628  0.17710068
   0.23369903  1.07963236  0.00995693
   0.62118835  0.35629548  0.84366251
   0.91456889  0.39043524  0.63817353
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904798   -0.000868   -0.062202
    -0.000000    9.861299    0.053631
    -0.000000    0.000000   13.960379
   Si   O    H 
    32    64    10
Direct configuration=  1900
   0.16105029  0.17635702 -0.04816863
   0.33250303  0.08863467  0.37355038
   0.14628875  0.40747018  0.10254510
   0.38106318  0.32771115  0.24907135
   0.07792469  0.15665956  0.48901422
   0.40371694  0.12853026  0.83451077
   0.12112347  0.41850389  0.62585730
   0.36835226  0.37726700  0.74566572
   0.14275236  0.68565255 -0.00348930
   0.41361236  0.58500251  0.36529161
   0.07941599  0.89055197  0.13412697
   0.32820252  0.82591524  0.25103946
   0.17289032  0.65442386  0.49108620
   0.39070284  0.62988018  0.85225631
   0.04083384  0.89870585  0.59877804
   0.32558825  0.97331239  0.67984178
   0.62212791  0.13757140  1.00758334
   0.84754541  0.13107420  0.35276689
   0.62385457  0.40653401  0.11711441
   0.88469772  0.27781936  0.15809643
   0.60258422  0.17457108  0.49583517
   0.87993911  0.10935941  0.86247170
   0.59145144  0.44974430  0.60397238
   0.75204893  0.36142993  0.79081143
   0.62114406  0.65713899 -0.00011554
   0.91652758  0.59868328  0.38826082
   0.58177148  0.89584556  0.14298266
   0.84197848  0.84689548  0.26780216
   0.65250011  0.66857561  0.46929836
   0.88180652  0.59718881  0.88870138
   0.60917784  0.93863330  0.63273733
   0.82878811  0.85340825  0.75442947
   0.10913007  0.05240194  0.12938072
   0.30393957  0.17485998  0.27758552
   0.16212813  0.31858798  0.00837774
   0.38111590  0.42397062  0.34906312
   0.53303674  0.35378322  0.21381751
   0.28457700  0.38557040  0.16957069
   0.21254754  0.08797818  0.44989889
  -0.01660733  0.20581323  0.39975170
  -0.00522549  0.04616887  0.55631113
   0.47078592  0.23236141  0.75657392
   0.11799731  0.28758338  0.54809324
   0.37247131  0.47024217  0.84811934
   0.44003432  0.45206967  0.65512947
   0.21214156  0.37500182  0.71842678
   0.25001716  0.18443406 -0.14859261
   0.00756945  0.14727363  0.92299969
   0.12030431  0.57080036  0.07948239
   0.38944440  0.66934812  0.26866586
   0.10332095  0.84096046  0.02708383
   0.33400318  0.92494399  0.34821968
   0.42601490  0.89618350  0.16994101
   0.16934821  0.80305072  0.20148456
   0.32171480  0.65907652  0.44421120
   0.07198349  0.57750583  0.41211536
   0.17912135  0.55069647  0.58195303
   0.34293091  0.71129547  0.76121407
   0.10021459  0.79566887  0.51997705
   0.38712751  0.97219211  0.79494565
   0.45143117  0.89033434  0.62647865
   0.17325542  0.90194790  0.67171923
   0.29756156  0.68391216 -0.04943675
   0.03785811  0.64645694  0.90736771
   0.60512142  0.04964325  0.10950001
   0.83026401  0.18822229  0.24906258
   0.63044772  0.29075080  0.03693010
   0.87181374  0.44959162  0.34222007
   0.03374772  0.34624159  0.17076454
   0.78348881  0.41630371  0.14628132
   0.71798898  0.16041697  0.41570294
   0.47375028  0.10545963  0.43197055
   0.63527015  0.09397333  0.59651573
   0.83853803  0.21184480  0.77739000
   0.60674629  0.33278692  0.53008298
   0.86160554  0.44587090  0.84842748
   0.97815525  0.45456967  0.67097447
   0.71298813  0.41967128  0.68153043
   0.75187244  0.09929346  0.93981241
   0.48745651  0.10479346  0.93738629
   0.56107942  0.54275773  0.07280457
   0.89758818  0.69945540  0.29829059
   0.60057724  0.80168016  0.04656552
   0.85546115  0.96352677  0.34986456
   0.92614152  0.89395942  0.17089547
   0.68164928  0.85022226  0.22526889
   0.82545083  0.66819665  0.46377793
   0.57375213  0.57115824  0.39090994
   0.61571510  0.60902220  0.57665459
   0.80989718  0.70174452  0.80836406
   0.61934140  0.82219760  0.44367688
   0.92271118  0.96714388  0.82090442
   0.92089859  0.83246712  0.66356234
   0.68574031  0.92643900  0.73397106
   0.78107149  0.63162693  0.98106902
   0.55897214  0.63808248  0.89026067
   0.70338277  0.87107909  0.57496733
   0.54383889  0.85509750  0.40340114
   0.89904491  0.17626027  0.08695804
   0.94785091  0.43943427  0.29268733
   0.31815697  0.11446456  0.64377270
   0.39928755  0.72637719  0.70137000
   0.14411592  1.10928387  0.16981985
   0.23130577  1.08357377  0.01626496
   0.61660150  0.35607025  0.84404079
   0.91188459  0.39028896  0.63789476
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901335    0.004200   -0.062006
    -0.000000    9.861982    0.052287
    -0.000000    0.000000   13.961077
   Si   O    H 
    32    64    10
Direct configuration=  1901
   0.16119618  0.17493904 -0.04838507
   0.33275295  0.08789164  0.37382348
   0.14582583  0.40692925  0.10293154
   0.38043678  0.32825130  0.24944297
   0.07744322  0.15780979  0.48926336
   0.40432716  0.12902011  0.83476708
   0.12028166  0.41896101  0.62537820
   0.36853874  0.37758197  0.74517985
   0.14329724  0.68531058 -0.00466158
   0.41438042  0.58492129  0.36566391
   0.07947559  0.89057901  0.13565464
   0.32957521  0.82589781  0.25030639
   0.17239417  0.65413948  0.49105542
   0.39161762  0.62922528  0.85306665
   0.04085891  0.89864114  0.59850394
   0.32614595  0.97283240  0.67995359
   0.62189831  0.13786409  1.00782810
   0.84760055  0.13179500  0.35316331
   0.62425810  0.40641413  0.11696934
   0.88473231  0.27630615  0.15721052
   0.60279149  0.17384017  0.49566857
   0.87958994  0.10971176  0.86289140
   0.59056899  0.44948307  0.60462304
   0.75194774  0.36235690  0.79047343
   0.62219798  0.65797794  0.00053363
   0.91518705  0.59834189  0.38903160
   0.58257920  0.89653528  0.14349703
   0.84144762  0.84727099  0.26765899
   0.65233644  0.66872264  0.46928543
   0.88175553  0.59816773  0.88852911
   0.60848313  0.93932771  0.63360109
   0.82885067  0.85370874  0.75464761
   0.10901984  0.05216786  0.13025347
   0.30402882  0.17421157  0.27765473
   0.16251005  0.31867089  0.00718896
   0.37998591  0.42384063  0.34759180
   0.53308590  0.35512560  0.21399259
   0.28302516  0.38579947  0.16893311
   0.21019909  0.08801945  0.44904874
  -0.01809259  0.20429293  0.39908312
  -0.00625684  0.04338131  0.55585308
   0.47102664  0.23162809  0.75605932
   0.11741568  0.28873353  0.54846099
   0.37384042  0.46710781  0.84986954
   0.44121164  0.45282473  0.65389045
   0.20951722  0.37576605  0.71782827
   0.25013938  0.18448942 -0.14987722
   0.00839760  0.14794060  0.92314323
   0.12108203  0.57137963  0.08009533
   0.38890657  0.66890498  0.26877046
   0.10275290  0.84005077  0.02680227
   0.33348258  0.92372849  0.34645686
   0.42567792  0.89434704  0.17042553
   0.16938740  0.80363583  0.20207610
   0.32054455  0.65870111  0.44455649
   0.07260524  0.57737377  0.41130887
   0.17800648  0.54987273  0.58375473
   0.34294146  0.71284263  0.76118975
   0.10027467  0.79414197  0.51985884
   0.38488332  0.97315435  0.79538725
   0.45337855  0.88991528  0.62578911
   0.17456281  0.90297504  0.67082565
   0.29883521  0.68497667 -0.04982993
   0.03815823  0.64476482  0.90765199
   0.60450156  0.04757954  0.10830074
   0.83108759  0.18873803  0.24869886
   0.62868127  0.28962248  0.03646306
   0.87127859  0.44857490  0.34298220
   0.03289778  0.34499802  0.17119644
   0.78388243  0.41506976  0.14632137
   0.71757716  0.15820868  0.41585604
   0.47482283  0.10790021  0.43178423
   0.63572334  0.09392755  0.59580955
   0.83798890  0.21237639  0.77674746
   0.60556055  0.33340622  0.52881621
   0.86259542  0.44447353  0.84794880
   0.97823245  0.45510332  0.67102732
   0.71302111  0.41890008  0.68144594
   0.75203984  0.09938529  0.93854171
   0.48710098  0.10606129  0.93808185
   0.55969136  0.54306410  0.07150628
   0.89740094  0.69866847  0.29887488
   0.59867078  0.80145941  0.04732286
   0.85438305  0.96462856  0.34935067
   0.92691973  0.89294940  0.17060914
   0.68005175  0.84875383  0.22587759
   0.82422437  0.66595527  0.46404355
   0.57479738  0.57043966  0.39145008
   0.61503900  0.60833146  0.57772990
   0.81087125  0.69938414  0.80840901
   0.61747512  0.82395094  0.44390757
   0.92223419  0.96714128  0.81949821
   0.92134354  0.83388626  0.66346329
   0.68638842  0.92435593  0.73437379
   0.78221808  0.63317060  0.98089471
   0.55992881  0.63792595  0.89061780
   0.70402725  0.86471184  0.57455355
   0.55095973  0.85799989  0.41305527
   0.89234048  0.17382046  0.08972134
   0.95352767  0.44480456  0.28500198
   0.31559211  0.11604857  0.64405015
   0.38556006  0.71966985  0.70677765
   0.14077715  1.11262442  0.17359784
   0.23023949  1.08659908  0.01975404
   0.61773542  0.35505009  0.84315286
   0.91083048  0.39451019  0.64392887
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897911    0.009814   -0.061731
    -0.000000    9.862406    0.050984
    -0.000000    0.000000   13.962139
   Si   O    H 
    32    64    10
Direct configuration=  1902
   0.16165327  0.17419399 -0.04844083
   0.33299074  0.08761672  0.37477957
   0.14558674  0.40664183  0.10344532
   0.37962182  0.32896787  0.25017535
   0.07683563  0.15881290  0.48944796
   0.40522523  0.12945106  0.83548267
   0.11927556  0.41887047  0.62449819
   0.36873502  0.37775935  0.74473970
   0.14368893  0.68483032 -0.00608723
   0.41483340  0.58469191  0.36596816
   0.08004128  0.89059957  0.13676188
   0.33022801  0.82525572  0.24958806
   0.17226661  0.65388422  0.49137451
   0.39204685  0.62823365  0.85439226
   0.04118464  0.89857808  0.59826059
   0.32652678  0.97219336  0.68054161
   0.62150619  0.13766610  1.00807389
   0.84758075  0.13238467  0.35391632
   0.62433025  0.40574977  0.11697862
   0.88448380  0.27563470  0.15659355
   0.60341074  0.17357642  0.49555000
   0.87865463  0.10949183  0.86323911
   0.58996322  0.44988982  0.60562143
   0.75186667  0.36277182  0.78996088
   0.62337314  0.65872882  0.00072324
   0.91400895  0.59797251  0.38916855
   0.58267691  0.89650877  0.14334038
   0.84141132  0.84744299  0.26743544
   0.65258996  0.66892655  0.46971348
   0.88136447  0.59957866  0.88837829
   0.60784508  0.94000679  0.63428423
   0.82934862  0.85442337  0.75534664
   0.10866366  0.05135335  0.13101033
   0.30389365  0.17467088  0.27828591
   0.16231844  0.31814409  0.00638325
   0.37920096  0.42292805  0.34647752
   0.53367745  0.35671471  0.21387498
   0.28119173  0.38661353  0.16776346
   0.20828661  0.08775802  0.44819479
  -0.01951725  0.20296670  0.39887649
  -0.00710326  0.04129406  0.55560020
   0.47117394  0.23183798  0.75575943
   0.11681429  0.29088191  0.54940802
   0.37567207  0.46304914  0.85180498
   0.44285928  0.45282477  0.65317079
   0.20709143  0.37736666  0.71693276
   0.24989434  0.18421466 -0.15124444
   0.00847603  0.14875387  0.92355778
   0.12166544  0.57189372  0.07980718
   0.38835139  0.66961683  0.26861252
   0.10190886  0.83894655  0.02652655
   0.33314280  0.92282473  0.34476780
   0.42533129  0.89264467  0.17097761
   0.17054079  0.80372776  0.20294894
   0.31998197  0.65803992  0.44460304
   0.07368593  0.57686049  0.41090034
   0.17609906  0.55048024  0.58447445
   0.34189085  0.71407416  0.76177426
   0.10002791  0.79278723  0.51990590
   0.38320738  0.97429991  0.79521949
   0.45379810  0.88923836  0.62516752
   0.17565323  0.90376634  0.66975351
   0.30005264  0.68592105 -0.05043114
   0.03792188  0.64306264  0.90757466
   0.60425205  0.04574374  0.10741156
   0.83116884  0.18946901  0.24771433
   0.62639060  0.28899599  0.03588480
   0.87036058  0.44756454  0.34370940
   0.03225676  0.34451324  0.17198240
   0.78374875  0.41352961  0.14625772
   0.71661454  0.15651198  0.41583183
   0.47479929  0.11069453  0.43196629
   0.63611330  0.09442853  0.59546038
   0.83688608  0.21307318  0.77636783
   0.60515467  0.33413371  0.52736208
   0.86327151  0.44321401  0.84726844
   0.97816573  0.45675927  0.67130444
   0.71315050  0.41793967  0.68114176
   0.75201809  0.09923068  0.93758911
   0.48675237  0.10846773  0.93866272
   0.55904127  0.54334020  0.07077851
   0.89715172  0.69822237  0.29868852
   0.59613464  0.80278568  0.04855485
   0.85436043  0.96484494  0.34889480
   0.92718883  0.89173025  0.17121524
   0.67946279  0.84722715  0.22700324
   0.82224609  0.66443573  0.46512840
   0.57575965  0.56902279  0.39299071
   0.61463806  0.60770031  0.57864973
   0.81127799  0.69745946  0.80849804
   0.61684829  0.82566571  0.44431413
   0.92136546  0.96563650  0.81789159
   0.92234752  0.83522258  0.66335519
   0.68713804  0.92305293  0.73519901
   0.78332284  0.63450352  0.98049064
   0.55918389  0.63818739  0.89108903
   0.70326226  0.85768640  0.57635771
   0.53047778  0.87438539  0.40898714
   0.88728923  0.16908768  0.08747622
   0.94482092  0.44903485  0.28935746
   0.31194983  0.11686484  0.64342732
   0.38444311  0.71690759  0.69514633
   0.14476747  1.12188899  0.18465551
   0.22889784  1.08937147  0.02230753
   0.62567797  0.35453181  0.84342493
   0.90492578  0.40020974  0.65114875
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894502    0.015388   -0.061572
    -0.000000    9.862709    0.049260
    -0.000000    0.000000   13.963211
   Si   O    H 
    32    64    10
Direct configuration=  1903
   0.16210803  0.17316144 -0.04829450
   0.33341195  0.08724127  0.37571270
   0.14520008  0.40717850  0.10368021
   0.37866382  0.32974452  0.25101995
   0.07586968  0.15958311  0.48998424
   0.40691639  0.12901656  0.83622732
   0.11791422  0.41856655  0.62357389
   0.36871934  0.37782063  0.74427335
   0.14414381  0.68451568 -0.00696465
   0.41532326  0.58348023  0.36617746
   0.08007052  0.89088997  0.13806609
   0.33096247  0.82444253  0.24920205
   0.17164280  0.65338102  0.49106109
   0.39271032  0.62745800  0.85644931
   0.04140512  0.89887404  0.59822284
   0.32681376  0.97202380  0.68097012
   0.62188912  0.13674314  1.00829793
   0.84722913  0.13316205  0.35448021
   0.62435724  0.40481399  0.11706361
   0.88405605  0.27511496  0.15628943
   0.60369511  0.17365922  0.49497633
   0.87747854  0.10957887  0.86342416
   0.58946484  0.44986258  0.60669137
   0.75211871  0.36307164  0.78950924
   0.62484289  0.65965116  0.00037464
   0.91284590  0.59711495  0.38901269
   0.58251776  0.89641008  0.14336840
   0.84066924  0.84753389  0.26702017
   0.65295985  0.66926019  0.47044452
   0.88080533  0.60070934  0.88831726
   0.60747328  0.94034013  0.63473965
   0.83005673  0.85478647  0.75606658
   0.10938565  0.05135715  0.13253812
   0.30399984  0.17561608  0.27926784
   0.16206177  0.31739484  0.00558664
   0.37865545  0.42280038  0.34571170
   0.53566358  0.35829606  0.21354984
   0.27983931  0.38675319  0.16649012
   0.20686882  0.08793246  0.44708360
  -0.02012820  0.20183676  0.39919141
  -0.00807867  0.03941823  0.55543798
   0.47055254  0.23359329  0.75622951
   0.11660980  0.29318682  0.55056047
   0.37775403  0.45978575  0.85290498
   0.44466286  0.45363044  0.65282719
   0.20497922  0.37872885  0.71593279
   0.24984553  0.18434693 -0.15284641
   0.00702290  0.14940722  0.92369824
   0.12255554  0.57191226  0.07962169
   0.38736892  0.66989176  0.26799169
   0.10122679  0.83811971  0.02603383
   0.33294334  0.92157203  0.34304878
   0.42484890  0.89065114  0.17101110
   0.17290097  0.80433773  0.20452539
   0.31952156  0.65738260  0.44440166
   0.07479665  0.57667059  0.41158464
   0.17444042  0.55167971  0.58484752
   0.34097342  0.71475105  0.76116193
   0.10001280  0.79218910  0.51988850
   0.38260870  0.97468269  0.79521447
   0.45345399  0.88754069  0.62506711
   0.17617743  0.90371251  0.66884066
   0.30168285  0.68719193 -0.05106687
   0.03824916  0.64096676  0.90704058
   0.60425948  0.04537794  0.10641982
   0.83083783  0.18979021  0.24638561
   0.62495620  0.28853518  0.03600118
   0.87004319  0.44737944  0.34363052
   0.03190335  0.34374028  0.17312224
   0.78368729  0.41161789  0.14655886
   0.71575992  0.15473174  0.41598870
   0.47561380  0.11289924  0.43184996
   0.63539741  0.09405949  0.59539455
   0.83503394  0.21435002  0.77609141
   0.60377971  0.33451332  0.52613314
   0.86402923  0.44272105  0.84697809
   0.97785854  0.45821359  0.67176927
   0.71281450  0.41706438  0.68094922
   0.75239045  0.09884582  0.93689672
   0.48628149  0.11033470  0.93918169
   0.55874048  0.54321419  0.07029616
   0.89738915  0.69847569  0.29873289
   0.59491914  0.80488520  0.04922530
   0.85444866  0.96469405  0.34861806
   0.92629180  0.89035911  0.17198147
   0.67980713  0.84593071  0.22829321
   0.82003644  0.66276540  0.46655813
   0.57647175  0.56865143  0.39426975
   0.61481303  0.60781405  0.57939941
   0.81177879  0.69646640  0.80878867
   0.61626110  0.82723577  0.44393518
   0.92066012  0.96300887  0.81656434
   0.92274337  0.83672604  0.66386062
   0.68736039  0.92213786  0.73598188
   0.78433073  0.63576450  0.97998578
   0.55757104  0.63850653  0.89173803
   0.69943508  0.85162017  0.57974371
   0.52178470  0.88416473  0.41203038
   0.88339291  0.16330058  0.08153634
   0.92979607  0.44912639  0.29869973
   0.30596992  0.11324076  0.64339086
   0.37941971  0.71417964  0.69246038
   0.14543167  1.12109500  0.18669992
   0.22793135  1.08782445  0.02441857
   0.63285024  0.35390439  0.84440223
   0.89803323  0.40348608  0.65653485
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891201    0.021181   -0.060874
    -0.000000    9.863163    0.047210
    -0.000000    0.000000   13.963938
   Si   O    H 
    32    64    10
Direct configuration=  1904
   0.16263642  0.17243238 -0.04860634
   0.33418139  0.08674587  0.37639223
   0.14552102  0.40804700  0.10383695
   0.37757280  0.33021906  0.25125326
   0.07466392  0.16044633  0.49091195
   0.40844711  0.12796722  0.83706746
   0.11602759  0.41836561  0.62273105
   0.36810851  0.37849832  0.74405093
   0.14502441  0.68345573 -0.00761879
   0.41627805  0.58193255  0.36642888
   0.07982243  0.89137497  0.13888263
   0.33196198  0.82345669  0.24878636
   0.17033832  0.65310141  0.49041920
   0.39340594  0.62743750  0.85854164
   0.04177686  0.89950008  0.59849825
   0.32694074  0.97175466  0.68175532
   0.62232220  0.13505760  1.00817030
   0.84678297  0.13374335  0.35495108
   0.62443766  0.40367781  0.11732620
   0.88358163  0.27493460  0.15621470
   0.60417790  0.17399970  0.49488516
   0.87591169  0.10949310  0.86360302
   0.58934762  0.45006358  0.60783633
   0.75270637  0.36285100  0.78875314
   0.62573673  0.66068037 -0.00034055
   0.91181338  0.59612355  0.38869559
   0.58265492  0.89610918  0.14352628
   0.83974723  0.84752559  0.26688755
   0.65337478  0.66902299  0.47158589
   0.88011407  0.60188714  0.88785700
   0.60757682  0.94100624  0.63494682
   0.83070593  0.85406456  0.75659392
   0.10985833  0.05255440  0.13358382
   0.30451761  0.17694876  0.27999594
   0.16209536  0.31736335  0.00559157
   0.37805186  0.42234606  0.34491716
   0.53803747  0.36041436  0.21305486
   0.27956016  0.38731257  0.16563578
   0.20608353  0.08857597  0.44565434
  -0.01957549  0.20089435  0.39916507
  -0.00886271  0.03824936  0.55550271
   0.46943162  0.23525710  0.75676551
   0.11654766  0.29565675  0.55143339
   0.37871481  0.45713127  0.85380271
   0.44736877  0.45421945  0.65304892
   0.20397913  0.37972391  0.71479417
   0.25032750  0.18515618 -0.15359429
   0.00506499  0.14971784  0.92366870
   0.12463408  0.57147584  0.07986977
   0.38620778  0.67024725  0.26737784
   0.10071640  0.83763794  0.02601187
   0.33203703  0.92187574  0.34128287
   0.42431906  0.88879432  0.17075003
   0.17579993  0.80484621  0.20641316
   0.31927685  0.65578374  0.44376825
   0.07525972  0.57671373  0.41225856
   0.17328893  0.55435887  0.58425316
   0.34088505  0.71447264  0.76060305
   0.10045053  0.79186932  0.51926329
   0.38277852  0.97478879  0.79487921
   0.45306100  0.88567028  0.62511195
   0.17778027  0.90363635  0.66773876
   0.30290470  0.68845244 -0.05152821
   0.03852725  0.63897518  0.90688938
   0.60427373  0.04512982  0.10574366
   0.83032858  0.19042595  0.24511383
   0.62311092  0.28804717  0.03551523
   0.86793853  0.44740331  0.34427969
   0.03124103  0.34272798  0.17467673
   0.78390008  0.40996463  0.14676070
   0.71545259  0.15258460  0.41640483
   0.47558258  0.11499503  0.43235307
   0.63492582  0.09338234  0.59525966
   0.83315461  0.21592533  0.77580200
   0.60161382  0.33460910  0.52480040
   0.86462421  0.44320788  0.84712813
   0.97723209  0.45908340  0.67189448
   0.71298551  0.41751182  0.68126484
   0.75194683  0.09864762  0.93623786
   0.48621895  0.11205423  0.93964891
   0.55882050  0.54315973  0.06993162
   0.89681152  0.69947512  0.29818364
   0.59438415  0.80645783  0.04949078
   0.85489095  0.96447357  0.34874592
   0.92570101  0.88899206  0.17336560
   0.67994756  0.84495810  0.22957994
   0.81872958  0.66047650  0.46870672
   0.57647593  0.56801450  0.39601907
   0.61525268  0.60809204  0.57966851
   0.81329332  0.69567371  0.80894127
   0.61480954  0.82999894  0.44330384
   0.91958510  0.96204081  0.81563241
   0.92327743  0.83846983  0.66386742
   0.68670796  0.92100892  0.73670600
   0.78529112  0.63614066  0.97914504
   0.55570499  0.63960858  0.89191667
   0.69693864  0.84430621  0.58445774
   0.52523177  0.88201594  0.41739793
   0.87891050  0.16221553  0.07783616
   0.93019442  0.44658351  0.29007503
   0.30105452  0.10416602  0.64219613
   0.37380166  0.70867364  0.69872189
   0.14176094  1.11101697  0.18070796
   0.22768474  1.08558429  0.02506972
   0.63817282  0.35621492  0.84510972
   0.89307034  0.40588713  0.66135270
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888421    0.026996   -0.060147
    -0.000000    9.863911    0.044583
    -0.000000    0.000000   13.964118
   Si   O    H 
    32    64    10
Direct configuration=  1905
   0.16358091  0.17207222 -0.04900781
   0.33431659  0.08648568  0.37715980
   0.14639313  0.40885336  0.10375506
   0.37697919  0.33016294  0.25136785
   0.07328810  0.16039350  0.49233225
   0.41035152  0.12702766  0.83794733
   0.11415265  0.41803318  0.62212458
   0.36771499  0.37886041  0.74365720
   0.14567689  0.68306120 -0.00851158
   0.41693038  0.58020377  0.36649786
   0.07871759  0.89241798  0.13931742
   0.33237723  0.82242895  0.24821833
   0.16921553  0.65231557  0.48976182
   0.39347077  0.62838344  0.86027181
   0.04239403  0.89958738  0.59838140
   0.32689669  0.97158162  0.68265611
   0.62244001  0.13339736  1.00794882
   0.84555511  0.13415271  0.35473898
   0.62443751  0.40330337  0.11744931
   0.88323448  0.27460901  0.15611464
   0.60468747  0.17446542  0.49485647
   0.87558113  0.10878997  0.86338007
   0.58995175  0.45005589  0.60876563
   0.75364123  0.36216301  0.78813484
   0.62675375  0.66144120 -0.00102197
   0.91124240  0.59467848  0.38801917
   0.58305555  0.89617716  0.14386141
   0.83804415  0.84774811  0.26696845
   0.65330817  0.66928742  0.47271486
   0.88025624  0.60282629  0.88759347
   0.60820105  0.94174002  0.63548095
   0.83096380  0.85292693  0.75721919
   0.11026673  0.05410698  0.13458319
   0.30460222  0.17793932  0.27996517
   0.16161659  0.31719340  0.00586096
   0.37694903  0.42248610  0.34491342
   0.53968625  0.36267686  0.21246515
   0.27948471  0.38783878  0.16506498
   0.20554167  0.08894732  0.44493452
  -0.01909469  0.20041557  0.39899024
  -0.00959878  0.03757193  0.55559922
   0.46762151  0.23656393  0.75730674
   0.11666481  0.29751085  0.55184310
   0.37944197  0.45457207  0.85383327
   0.44804327  0.45493392  0.65388708
   0.20488848  0.38007562  0.71402117
   0.25102912  0.18543517 -0.15390186
   0.00415040  0.15064492  0.92359242
   0.12694631  0.57093803  0.07995483
   0.38526410  0.66990711  0.26720660
   0.10053978  0.83700709  0.02611584
   0.33136593  0.92267398  0.33951809
   0.42419236  0.88675765  0.17081499
   0.17873939  0.80564636  0.20857892
   0.31896781  0.65444826  0.44322508
   0.07479783  0.57704620  0.41295461
   0.17221371  0.55689309  0.58317124
   0.33963800  0.71414363  0.76075673
   0.10180381  0.79210035  0.51946461
   0.38381474  0.97498912  0.79434621
   0.45311963  0.88304922  0.62515596
   0.17956153  0.90462835  0.66657340
   0.30363868  0.68884454 -0.05188105
   0.03931717  0.63691873  0.90656310
   0.60438727  0.04572947  0.10532231
   0.83011784  0.19124667  0.24422037
   0.62152652  0.28863086  0.03472761
   0.86573810  0.44744919  0.34507576
   0.03102135  0.34205031  0.17612592
   0.78409841  0.40842280  0.14702917
   0.71492304  0.14991191  0.41677102
   0.47536889  0.11738369  0.43320500
   0.63358964  0.09332132  0.59478480
   0.83169450  0.21765275  0.77579649
   0.59891359  0.33442640  0.52387605
   0.86506129  0.44341879  0.84702132
   0.97544979  0.45952914  0.67175989
   0.71312448  0.41806192  0.68151352
   0.75117576  0.09848292  0.93565611
   0.48666650  0.11391108  0.93949217
   0.55940246  0.54326870  0.06970719
   0.89681768  0.70117121  0.29773095
   0.59363485  0.80690686  0.04943741
   0.85572783  0.96523042  0.34820309
   0.92493278  0.88635080  0.17470933
   0.67986531  0.84459270  0.23100537
   0.81706127  0.65903730  0.47086000
   0.57663832  0.56731897  0.39757646
   0.61574947  0.60875184  0.58001873
   0.81446814  0.69590219  0.80781457
   0.61235087  0.83240501  0.44290115
   0.91932276  0.96074887  0.81498029
   0.92380878  0.83998482  0.66374992
   0.68602223  0.92006103  0.73763659
   0.78671850  0.63659917  0.97838787
   0.55369246  0.64045645  0.89172603
   0.69707303  0.84430250  0.59128314
   0.53653834  0.87298955  0.42428487
   0.87568386  0.16678663  0.07682942
   0.93108636  0.43938848  0.28101320
   0.29924269  0.09838866  0.63817519
   0.37193187  0.70007315  0.69854904
   0.14354805  1.10574207  0.17730425
   0.22923400  1.08448957  0.01978122
   0.63492780  0.35442862  0.84692593
   0.88723827  0.41104441  0.66708690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885884    0.032468   -0.059439
    -0.000000    9.864758    0.042204
    -0.000000    0.000000   13.963667
   Si   O    H 
    32    64    10
Direct configuration=  1906
   0.16433280  0.17121900 -0.04932197
   0.33460953  0.08625742  0.37708166
   0.14692931  0.40946614  0.10337318
   0.37543956  0.33061553  0.25140825
   0.07116460  0.16034544  0.49359280
   0.41201676  0.12596617  0.83889408
   0.11229503  0.41739372  0.62176465
   0.36645218  0.37898480  0.74336228
   0.14676273  0.68274306 -0.00931545
   0.41785066  0.57852682  0.36638576
   0.07805145  0.89387128  0.13941089
   0.33306976  0.82104467  0.24762642
   0.16853366  0.65144892  0.48919316
   0.39344930  0.62908999  0.86156146
   0.04291811  0.89956673  0.59874824
   0.32758279  0.97130915  0.68336237
   0.62290488  0.13162022  1.00746858
   0.84437749  0.13444169  0.35446247
   0.62436373  0.40290945  0.11750005
   0.88308286  0.27369089  0.15593081
   0.60521327  0.17443924  0.49475396
   0.87558757  0.10834779  0.86294816
   0.59115891  0.44990443  0.60937211
   0.75381039  0.36145933  0.78793054
   0.62778279  0.66186105 -0.00148295
   0.91113071  0.59356192  0.38728167
   0.58368750  0.89633440  0.14419999
   0.83690051  0.84779569  0.26678424
   0.65295775  0.66930547  0.47370528
   0.88068438  0.60359874  0.88725495
   0.60845896  0.94206945  0.63564678
   0.83114751  0.85094515  0.75797242
   0.11030428  0.05482921  0.13458188
   0.30519983  0.17995225  0.27941902
   0.16165287  0.31726391  0.00632865
   0.37543404  0.42212680  0.34496615
   0.54066179  0.36523013  0.21210606
   0.28046404  0.38827135  0.16410650
   0.20473917  0.08918863  0.44499830
  -0.01898309  0.20002002  0.39953067
  -0.01024949  0.03775171  0.55511727
   0.46556061  0.23880090  0.75769758
   0.11653766  0.29824977  0.55147286
   0.38005408  0.45279412  0.85318438
   0.44795404  0.45628672  0.65468961
   0.20603082  0.37976744  0.71291351
   0.25192631  0.18657556 -0.15378475
   0.00340694  0.15259978  0.92399366
   0.12982517  0.57069810  0.08044903
   0.38459909  0.66971077  0.26686163
   0.10132552  0.83619093  0.02614555
   0.33108451  0.92407597  0.33794034
   0.42423357  0.88500552  0.17073303
   0.18144557  0.80668931  0.21092339
   0.31884334  0.65250480  0.44339025
   0.07390467  0.57769121  0.41320510
   0.17183554  0.55951792  0.58232161
   0.33841022  0.71381840  0.76133667
   0.10350434  0.79284726  0.51860695
   0.38533696  0.97533758  0.79358874
   0.45273778  0.88179692  0.62473249
   0.18145072  0.90570299  0.66578566
   0.30413273  0.68922397 -0.05177187
   0.03998079  0.63503708  0.90616115
   0.60513246  0.04631899  0.10456464
   0.82995302  0.19218964  0.24364376
   0.62024419  0.28880912  0.03369166
   0.86397881  0.44766802  0.34502475
   0.03128190  0.34148597  0.17748188
   0.78454644  0.40724739  0.14727480
   0.71373516  0.14778782  0.41729517
   0.47445386  0.11932407  0.43388788
   0.63166300  0.09316139  0.59434251
   0.83002392  0.21854596  0.77612528
   0.59584071  0.33408402  0.52334414
   0.86599513  0.44408782  0.84715858
   0.97311430  0.46075372  0.67166927
   0.71400905  0.41957269  0.68179991
   0.75052374  0.09824310  0.93537928
   0.48809371  0.11459548  0.93950929
   0.56067950  0.54418398  0.06983839
   0.89701927  0.70321312  0.29713910
   0.59297256  0.80663550  0.04867878
   0.85692627  0.96576695  0.34757409
   0.92461433  0.88367348  0.17549507
   0.67912838  0.84341631  0.23223971
   0.81594527  0.65769111  0.47243032
   0.57694293  0.56722024  0.39944702
   0.61670347  0.60978519  0.57998156
   0.81619686  0.69727957  0.80645170
   0.61020898  0.83345342  0.44244414
   0.91983009  0.95970016  0.81461238
   0.92401007  0.84083561  0.66379507
   0.68480283  0.91850038  0.73886962
   0.78801995  0.63631905  0.97805916
   0.55140185  0.64120085  0.89219052
   0.69765880  0.84645360  0.59697319
   0.52777739  0.87375208  0.42678177
   0.87231988  0.17256361  0.07640577
   0.92262604  0.43122155  0.27945499
   0.29648613  0.09496962  0.63546200
   0.37152324  0.69116352  0.69312997
   0.15442654  1.12287920  0.18829825
   0.23256296  1.08157992  0.01495604
   0.63044819  0.35175314  0.85107302
   0.88479785  0.41998685  0.67140384
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883814    0.038404   -0.059235
    -0.000000    9.865259    0.040366
    -0.000000    0.000000   13.963375
   Si   O    H 
    32    64    10
Direct configuration=  1907
   0.16457404  0.17094823 -0.04995050
   0.33520779  0.08611881  0.37720525
   0.14662438  0.41075786  0.10266446
   0.37343587  0.33055186  0.25108520
   0.06922573  0.16011067  0.49447700
   0.41394847  0.12487080  0.83973378
   0.11003574  0.41734709  0.62171365
   0.36524353  0.37865459  0.74321265
   0.14774938  0.68195792 -0.00998444
   0.41838639  0.57707011  0.36605706
   0.07781547  0.89541853  0.13937946
   0.33350259  0.81978526  0.24777881
   0.16815845  0.65129123  0.48911975
   0.39334725  0.62966871  0.86215197
   0.04350977  0.89875412  0.59884823
   0.32771518  0.97091882  0.68370551
   0.62366910  0.13012337  1.00690317
   0.84319627  0.13415247  0.35388042
   0.62424646  0.40245708  0.11773355
   0.88286326  0.27285963  0.15552608
   0.60554839  0.17438821  0.49457200
   0.87573132  0.10871207  0.86250217
   0.59205768  0.44932638  0.61011654
   0.75384482  0.36141315  0.78787524
   0.62886044  0.66206519 -0.00224146
   0.91123410  0.59306641  0.38692896
   0.58428972  0.89586467  0.14437385
   0.83610832  0.84856171  0.26701738
   0.65275522  0.66962959  0.47469554
   0.88131572  0.60421301  0.88733923
   0.60907356  0.94243087  0.63595624
   0.83119349  0.84866147  0.75861574
   0.11131607  0.05653194  0.13479905
   0.30554536  0.18215057  0.27832360
   0.16196968  0.31746599  0.00628158
   0.37329196  0.42208628  0.34563824
   0.54119047  0.36672067  0.21235321
   0.28177593  0.38817660  0.16281426
   0.20447713  0.08936567  0.44525962
  -0.01945806  0.19983041  0.40048317
  -0.01153318  0.03833758  0.55431174
   0.46383014  0.23996917  0.75827016
   0.11633786  0.29867908  0.55092369
   0.37991166  0.45167720  0.85257588
   0.44735670  0.45764285  0.65565333
   0.20814300  0.37914752  0.71240665
   0.25306022  0.18754966 -0.15375408
   0.00226143  0.15447194  0.92454327
   0.13283445  0.57037909  0.08145657
   0.38431120  0.66895874  0.26695612
   0.10245654  0.83535313  0.02607921
   0.33105851  0.92601958  0.33674721
   0.42430789  0.88340886  0.17089569
   0.18386519  0.80776600  0.21264957
   0.31864214  0.65016774  0.44377870
   0.07300440  0.57798241  0.41384673
   0.17222399  0.56083291  0.58151962
   0.33759300  0.71234077  0.76158288
   0.10473901  0.79407554  0.51777903
   0.38705944  0.97546796  0.79337081
   0.45211443  0.88087323  0.62430705
   0.18258454  0.90662768  0.66452806
   0.30362234  0.68952802 -0.05135583
   0.04115768  0.63261230  0.90645517
   0.60547829  0.04693827  0.10413812
   0.83005644  0.19244281  0.24388703
   0.61957836  0.28958211  0.03219807
   0.86265226  0.44800508  0.34444457
   0.03122413  0.34059742  0.17825467
   0.78395910  0.40639738  0.14739628
   0.71343530  0.14681399  0.41764140
   0.47367146  0.12102579  0.43472012
   0.62968602  0.09315550  0.59427701
   0.82844401  0.21907533  0.77637868
   0.59249325  0.33328179  0.52331322
   0.86677435  0.44508553  0.84795657
   0.97095365  0.46216283  0.67110937
   0.71481725  0.42107760  0.68198970
   0.74903156  0.09851051  0.93484560
   0.48910541  0.11463285  0.93925970
   0.56186929  0.54464584  0.07050055
   0.89741356  0.70475868  0.29701137
   0.59175933  0.80657793  0.04747036
   0.85833520  0.96660687  0.34728277
   0.92370378  0.88249739  0.17598184
   0.67807784  0.84156350  0.23317267
   0.81530959  0.65609250  0.47416800
   0.57762293  0.56735562  0.40147015
   0.61721813  0.61046680  0.57947962
   0.81796248  0.69988426  0.80485034
   0.60861819  0.83338317  0.44192321
   0.92062517  0.95869328  0.81446537
   0.92422626  0.84221260  0.66323735
   0.68325107  0.91662872  0.73976766
   0.78838530  0.63542639  0.97793650
   0.54918583  0.64322211  0.89299793
   0.70098028  0.84399074  0.59754868
   0.50951230  0.87578056  0.43081109
   0.87275182  0.17952277  0.07633151
   0.91106436  0.42731374  0.28762819
   0.29519120  0.09879323  0.63146911
   0.36660951  0.68793965  0.69687942
   0.16309175  1.12766185  0.19180111
   0.23770849  1.07756721  0.00829362
   0.62763362  0.35042437  0.85164913
   0.88177064  0.42671209  0.67352607
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881787    0.043999   -0.059142
    -0.000000    9.865941    0.038557
    -0.000000    0.000000   13.963460
   Si   O    H 
    32    64    10
Direct configuration=  1908
   0.16511518  0.17102089 -0.05072930
   0.33610722  0.08560260  0.37735360
   0.14660308  0.41235125  0.10239843
   0.37166274  0.32995336  0.25059126
   0.06765325  0.15967418  0.49543680
   0.41614736  0.12432652  0.84037736
   0.10816510  0.41821202  0.62231433
   0.36376459  0.37894478  0.74326697
   0.14789058  0.68083504 -0.01056002
   0.41832570  0.57587554  0.36597455
   0.07758890  0.89685178  0.13944534
   0.33346706  0.81852550  0.24811461
   0.16791213  0.65117715  0.48862221
   0.39295830  0.63010372  0.86233590
   0.04430860  0.89784748  0.59923125
   0.32782581  0.97022835  0.68408033
   0.62469634  0.12929066  1.00603862
   0.84238721  0.13354721  0.35345803
   0.62436540  0.40219795  0.11780617
   0.88237930  0.27255874  0.15515224
   0.60554347  0.17360174  0.49417769
   0.87598946  0.10897604  0.86206746
   0.59288657  0.44912932  0.61035046
   0.75306991  0.36133390  0.78802628
   0.62950414  0.66287128 -0.00305880
   0.91102638  0.59286352  0.38690567
   0.58446001  0.89479918  0.14445206
   0.83531725  0.84874712  0.26717828
   0.65235489  0.67034933  0.47552239
   0.88185306  0.60460848  0.88686080
   0.60992477  0.94156750  0.63603457
   0.83064258  0.84662264  0.75930302
   0.11306208  0.05862331  0.13560198
   0.30627688  0.18404360  0.27699326
   0.16218679  0.31795541  0.00675331
   0.37053562  0.42264640  0.34614869
   0.54060472  0.36746286  0.21279861
   0.28345803  0.38765318  0.16176241
   0.20461171  0.09011186  0.44521717
  -0.01998908  0.19930294  0.40099258
  -0.01249111  0.03858796  0.55408759
   0.46184705  0.24205631  0.75853671
   0.11603597  0.29824999  0.55026506
   0.38058094  0.45104796  0.85132908
   0.44663781  0.45790444  0.65706878
   0.20998931  0.37791278  0.71211317
   0.25500629  0.18807583 -0.15310994
   0.00163916  0.15761206  0.92479866
   0.13594896  0.56965071  0.08225112
   0.38409495  0.66783315  0.26708562
   0.10352506  0.83418970  0.02621433
   0.33067077  0.92779418  0.33584841
   0.42400569  0.88336258  0.17075370
   0.18542181  0.80803413  0.21403932
   0.31875235  0.64857989  0.44381060
   0.07136447  0.57871741  0.41449988
   0.17292012  0.56134084  0.58139796
   0.33793744  0.71049939  0.76226879
   0.10532427  0.79544241  0.51718551
   0.38883468  0.97536399  0.79343292
   0.45200175  0.88059809  0.62418634
   0.18274418  0.90790790  0.66278545
   0.30206433  0.68949324 -0.05093764
   0.04255599  0.63010884  0.90666582
   0.60548705  0.04799463  0.10394808
   0.82967167  0.19170424  0.24452823
   0.61860430  0.29100022  0.03114793
   0.86147861  0.44812795  0.34473377
   0.03177924  0.33965758  0.17881514
   0.78329605  0.40613671  0.14810730
   0.71255706  0.14640344  0.41783310
   0.47308046  0.12323399  0.43582957
   0.62707994  0.09319431  0.59411602
   0.82698825  0.21895471  0.77694589
   0.58996085  0.33245613  0.52332124
   0.86805192  0.44618756  0.84874338
   0.96923606  0.46313688  0.67100239
   0.71619727  0.42237279  0.68201842
   0.74746199  0.09919912  0.93431953
   0.48999437  0.11474331  0.93933244
   0.56405483  0.54535843  0.07041635
   0.89796695  0.70601054  0.29714743
   0.59134903  0.80608794  0.04650857
   0.86016636  0.96686916  0.34673333
   0.92266074  0.88088948  0.17645162
   0.67748813  0.83996719  0.23374890
   0.81492352  0.65412489  0.47461844
   0.57711807  0.56755609  0.40299435
   0.61733365  0.61042963  0.57873556
   0.81917507  0.70321192  0.80289367
   0.60649019  0.83277439  0.44115165
   0.92051573  0.95839142  0.81418572
   0.92408632  0.84408033  0.66265707
   0.68182005  0.91516363  0.74096730
   0.78836945  0.63465424  0.97750104
   0.54695935  0.64499033  0.89352177
   0.70448199  0.83987900  0.59364062
   0.50505731  0.87076447  0.43550627
   0.87561738  0.18506509  0.07298087
   0.90608893  0.42361012  0.29278112
   0.29582848  0.10646766  0.62787383
   0.36388125  0.68163145  0.70135675
   0.16731439  1.11931211  0.18884623
   0.24617999  1.07288475  0.00053083
   0.62427408  0.35021552  0.85152867
   0.87697931  0.43098960  0.67319918
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879770    0.050003   -0.058905
    -0.000000    9.866238    0.035981
    -0.000000    0.000000   13.963605
   Si   O    H 
    32    64    10
Direct configuration=  1909
   0.16585288  0.17100115 -0.05141170
   0.33645785  0.08583638  0.37716367
   0.14625763  0.41344889  0.10215799
   0.37072241  0.33008898  0.24992902
   0.06635825  0.15850898  0.49588373
   0.41820410  0.12472358  0.84066280
   0.10618335  0.41948929  0.62269973
   0.36240822  0.37951620  0.74349846
   0.14820375  0.67932126 -0.01077554
   0.41793560  0.57461687  0.36574475
   0.07788589  0.89736245  0.13932663
   0.33274118  0.81774901  0.24858933
   0.16755094  0.65135239  0.48821730
   0.39220899  0.63038739  0.86229470
   0.04568645  0.89689766  0.59958845
   0.32826488  0.97001846  0.68404508
   0.62538613  0.12926714  1.00516518
   0.84180769  0.13280296  0.35273251
   0.62453955  0.40190254  0.11789458
   0.88203080  0.27248011  0.15526814
   0.60559266  0.17292960  0.49375809
   0.87657888  0.10894820  0.86189033
   0.59355315  0.44847993  0.61033794
   0.75196141  0.36118736  0.78836023
   0.62975828  0.66368072 -0.00378408
   0.91069583  0.59266780  0.38620254
   0.58407563  0.89332313  0.14461997
   0.83495660  0.84918587  0.26760737
   0.65122520  0.67095137  0.47632541
   0.88182396  0.60483126  0.88576508
   0.61051144  0.94064751  0.63577118
   0.82977275  0.84468580  0.75972285
   0.11505291  0.06162454  0.13708633
   0.30704268  0.18554209  0.27539193
   0.16276737  0.31747625  0.00784225
   0.36840505  0.42221496  0.34687177
   0.53918024  0.36817776  0.21299551
   0.28572992  0.38690084  0.16156785
   0.20422934  0.09104624  0.44551842
  -0.02032160  0.19880365  0.40156715
  -0.01362106  0.03962937  0.55387322
   0.45993529  0.24358847  0.75870811
   0.11574833  0.29726448  0.54973556
   0.38123724  0.45144229  0.85044718
   0.44674032  0.45817141  0.65885442
   0.21138370  0.37757138  0.71129381
   0.25723318  0.18920934 -0.15260866
   0.00162983  0.16022429  0.92532399
   0.13771949  0.56926969  0.08273273
   0.38388306  0.66603821  0.26750340
   0.10476256  0.83312379  0.02705586
   0.33073843  0.92980364  0.33462442
   0.42518108  0.88435503  0.17038548
   0.18551949  0.80821542  0.21492616
   0.31900612  0.64716690  0.44390142
   0.06936655  0.57832746  0.41546745
   0.17358612  0.56138509  0.58182544
   0.33795944  0.70943271  0.76369290
   0.10523084  0.79693117  0.51716486
   0.39013352  0.97550475  0.79305241
   0.45175149  0.88128604  0.62446991
   0.18256042  0.90900367  0.66129244
   0.30104646  0.68957073 -0.05058546
   0.04383596  0.62707599  0.90690367
   0.60535803  0.04854914  0.10337939
   0.82898983  0.19121789  0.24535579
   0.61727113  0.29236629  0.03010153
   0.85964321  0.44805312  0.34600262
   0.03208332  0.33827452  0.17920396
   0.78272188  0.40648560  0.14875734
   0.71199786  0.14602684  0.41702864
   0.47247152  0.12517998  0.43685623
   0.62456706  0.09348286  0.59437079
   0.82599396  0.21842318  0.77743506
   0.58740222  0.33210342  0.52401258
   0.86924016  0.44670192  0.84981898
   0.96876962  0.46385036  0.67095342
   0.71695274  0.42405218  0.68277180
   0.74603823  0.09963105  0.93410302
   0.49019853  0.11485742  0.94009110
   0.56553067  0.54585951  0.06998148
   0.89866699  0.70739145  0.29731585
   0.59164386  0.80515890  0.04539384
   0.86148074  0.96628418  0.34641943
   0.92239890  0.87934718  0.17642266
   0.67636600  0.83861495  0.23391234
   0.81473172  0.65181845  0.47442246
   0.57638251  0.56777905  0.40375778
   0.61619348  0.61014509  0.57824258
   0.81942643  0.70516099  0.80138493
   0.60458404  0.83140392  0.44078017
   0.92049380  0.95857025  0.81489237
   0.92427149  0.84535399  0.66202589
   0.68091072  0.91395947  0.74214714
   0.78889793  0.63448247  0.97696911
   0.54471288  0.64693860  0.89365667
   0.70856590  0.83511496  0.59123549
   0.51395370  0.85594812  0.44061072
   0.87966834  0.18848087  0.06873829
   0.91482545  0.41537326  0.28620369
   0.30150444  0.10991605  0.62768354
   0.36667530  0.67410955  0.69936778
   0.16334714  1.10295058  0.17928697
   0.25410534  1.06825004 -0.00585066
   0.62723883  0.34857313  0.84928562
   0.87099887  0.43528929  0.66819281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877842    0.056031   -0.058889
    -0.000000    9.866550    0.033313
    -0.000000    0.000000   13.963529
   Si   O    H 
    32    64    10
Direct configuration=  1910
   0.16674479  0.17123490 -0.05228637
   0.33623398  0.08630526  0.37716419
   0.14603173  0.41362497  0.10255148
   0.37004632  0.33025718  0.24892608
   0.06553752  0.15747498  0.49611320
   0.42032994  0.12511656  0.84112214
   0.10458208  0.42067334  0.62345179
   0.36094491  0.38030887  0.74385384
   0.14849764  0.67787216 -0.01078346
   0.41738977  0.57359462  0.36564777
   0.07869914  0.89799889  0.13896484
   0.33180256  0.81710090  0.24913704
   0.16689854  0.65124204  0.48814646
   0.39078046  0.63045312  0.86198042
   0.04729409  0.89598956  0.60009183
   0.32940044  0.96956489  0.68383963
   0.62610212  0.13002071  1.00437013
   0.84142406  0.13199845  0.35216257
   0.62451345  0.40112236  0.11800285
   0.88190389  0.27254103  0.15492663
   0.60533477  0.17251273  0.49395486
   0.87736554  0.10788622  0.86135206
   0.59411130  0.44751092  0.61048214
   0.75076056  0.36136635  0.78906220
   0.62974839  0.66441854 -0.00417253
   0.91018719  0.59231903  0.38519369
   0.58413522  0.89194692  0.14461502
   0.83508021  0.84970792  0.26800281
   0.64998039  0.67134282  0.47721775
   0.88138432  0.60432136  0.88457841
   0.61077566  0.93945482  0.63544433
   0.82903581  0.84416731  0.75962744
   0.11584026  0.06339633  0.13753975
   0.30802762  0.18622159  0.27362409
   0.16291198  0.31593823  0.00862870
   0.36645687  0.42187442  0.34726343
   0.53732740  0.36802123  0.21306628
   0.28831614  0.38609761  0.16150868
   0.20360035  0.09307188  0.44616194
  -0.02071402  0.19852316  0.40156354
  -0.01379285  0.04095340  0.55423870
   0.45868242  0.24421903  0.75848705
   0.11503637  0.29594625  0.54826893
   0.38154240  0.45240822  0.84957224
   0.44768086  0.45868404  0.66049499
   0.21197980  0.37759731  0.71005808
   0.25930167  0.19000824 -0.15220750
   0.00206103  0.16196628  0.92578581
   0.13888715  0.56980869  0.08294636
   0.38428151  0.66409248  0.26777637
   0.10598628  0.83216081  0.02823514
   0.32971690  0.93172776  0.33427384
   0.42642600  0.88527235  0.16943579
   0.18452392  0.80855977  0.21489164
   0.31907808  0.64588239  0.44362955
   0.06790644  0.57741080  0.41617492
   0.17486093  0.56126660  0.58241989
   0.33761080  0.70849141  0.76546676
   0.10524553  0.79854374  0.51667089
   0.39140350  0.97616163  0.79310443
   0.45134230  0.88179415  0.62423029
   0.18252931  0.91090520  0.66042720
   0.29977356  0.69036346 -0.04984780
   0.04496514  0.62448539  0.90675235
   0.60636274  0.04825280  0.10302376
   0.82922614  0.19072001  0.24617658
   0.61539031  0.29343795  0.02926135
   0.85736350  0.44737647  0.34732466
   0.03333688  0.33748592  0.17963657
   0.78216472  0.40683209  0.14936326
   0.71214373  0.14648890  0.41664438
   0.47073933  0.12623637  0.43764286
   0.62176844  0.09404153  0.59488232
   0.82585585  0.21699007  0.77819288
   0.58524393  0.33276033  0.52514345
   0.87038247  0.44779061  0.85062449
   0.96842527  0.46375719  0.67101024
   0.71825009  0.42482308  0.68389547
   0.74486349  0.09934415  0.93440601
   0.49075286  0.11547022  0.94108147
   0.56699915  0.54603866  0.06919137
   0.90018674  0.70858219  0.29749886
   0.59265896  0.80360562  0.04435107
   0.86234357  0.96515971  0.34595854
   0.92177253  0.87733763  0.17613259
   0.67595075  0.83746567  0.23448516
   0.81500235  0.64905562  0.47440531
   0.57482169  0.56797317  0.40430134
   0.61508237  0.60948661  0.57809808
   0.81960518  0.70624194  0.80044451
   0.60342898  0.82998936  0.44062910
   0.91958133  0.95955048  0.81631320
   0.92346857  0.84617427  0.66188107
   0.67991371  0.91336021  0.74278753
   0.78971711  0.63465585  0.97701888
   0.54303319  0.64954177  0.89336713
   0.70797336  0.83524625  0.58926211
   0.51080727  0.84968673  0.44319877
   0.88477589  0.19084888  0.06684355
   0.92229346  0.41536291  0.28706175
   0.30755678  0.10852160  0.63149945
   0.36388395  0.66837071  0.70227997
   0.17688607  1.10511156  0.18198174
   0.26284128  1.06401104 -0.01021004
   0.63218776  0.35184463  0.84522732
   0.86900798  0.43999104  0.66366278
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875835    0.061828   -0.058846
    -0.000000    9.866811    0.030395
    -0.000000    0.000000   13.963528
   Si   O    H 
    32    64    10
Direct configuration=  1911
   0.16794367  0.17163079 -0.05300728
   0.33598658  0.08594349  0.37695835
   0.14644944  0.41284699  0.10302067
   0.36935608  0.33051809  0.24771640
   0.06522687  0.15639572  0.49642294
   0.42121823  0.12597533  0.84109902
   0.10411491  0.42195651  0.62448051
   0.35965218  0.38119115  0.74445384
   0.14803965  0.67727296 -0.01059898
   0.41638645  0.57265963  0.36519897
   0.07960732  0.89853484  0.13865346
   0.33099191  0.81664062  0.25018697
   0.16670186  0.65172273  0.48856829
   0.38943225  0.63022456  0.86199095
   0.04912076  0.89571598  0.60083642
   0.33033674  0.96975204  0.68323086
   0.62682692  0.13053405  1.00361433
   0.84160232  0.13125100  0.35182312
   0.62419334  0.40016436  0.11772299
   0.88188127  0.27263422  0.15452596
   0.60467379  0.17287112  0.49414461
   0.87865717  0.10777883  0.86025028
   0.59419604  0.44661500  0.61052518
   0.75054916  0.36173484  0.78994698
   0.62905970  0.66460214 -0.00445996
   0.90914356  0.59243909  0.38443266
   0.58438187  0.89085628  0.14472557
   0.83545720  0.84974798  0.26834647
   0.64930941  0.67243782  0.47789198
   0.88144305  0.60336975  0.88371584
   0.61090839  0.93751725  0.63528329
   0.82858423  0.84401981  0.75928970
   0.11604832  0.06500608  0.13719845
   0.30945378  0.18642555  0.27208198
   0.16251317  0.31557727  0.00964499
   0.36483936  0.42161639  0.34773936
   0.53543338  0.36781846  0.21374225
   0.29002883  0.38445243  0.16178459
   0.20270146  0.09517323  0.44645250
  -0.02183732  0.19814077  0.40150422
  -0.01437814  0.04253997  0.55447135
   0.45831629  0.24452656  0.75872510
   0.11411029  0.29477508  0.54676731
   0.38245540  0.45426313  0.84818278
   0.44880105  0.45865530  0.66236700
   0.21143696  0.37709842  0.70919591
   0.26059074  0.19082088 -0.15158305
   0.00283688  0.16238635  0.92649446
   0.13943598  0.57099912  0.08292404
   0.38588330  0.66196673  0.26841812
   0.10752367  0.83147449  0.02941680
   0.32893766  0.93364830  0.33395528
   0.42697135  0.88604227  0.16898231
   0.18282556  0.80856314  0.21474122
   0.31901040  0.64438451  0.44404671
   0.06605906  0.57710696  0.41653726
   0.17583387  0.56130676  0.58341425
   0.33771644  0.70725371  0.76699292
   0.10509464  0.79989705  0.51554584
   0.39336457  0.97707022  0.79301793
   0.45128637  0.88263642  0.62427728
   0.18257011  0.91214124  0.65962804
   0.29919363  0.69035229 -0.04957351
   0.04583208  0.62226284  0.90659061
   0.60778454  0.04819212  0.10291390
   0.83015964  0.19046920  0.24691605
   0.61374982  0.29439214  0.02864545
   0.85669320  0.44671969  0.34809049
   0.03424947  0.33812703  0.18009018
   0.78229528  0.40729183  0.15016764
   0.71267748  0.14641390  0.41628447
   0.46931092  0.12749076  0.43867453
   0.61972563  0.09437736  0.59579688
   0.82579305  0.21527719  0.77928063
   0.58364461  0.33412144  0.52684120
   0.87060133  0.44885742  0.85100565
   0.96757451  0.46426083  0.67068750
   0.71996184  0.42504883  0.68481228
   0.74463977  0.09859141  0.93366508
   0.49033001  0.11576571  0.94219021
   0.56812121  0.54709833  0.06863367
   0.90154747  0.70938814  0.29788235
   0.59403627  0.80249984  0.04404273
   0.86242034  0.96518065  0.34565056
   0.92208589  0.87562807  0.17558552
   0.67582431  0.83650988  0.23461582
   0.81524463  0.64669899  0.47431137
   0.57237234  0.56809142  0.40437239
   0.61417542  0.60914939  0.57853500
   0.82044054  0.70550686  0.80053529
   0.60365139  0.82864825  0.44097252
   0.91827190  0.95975926  0.81798512
   0.92192118  0.84686888  0.66184417
   0.67859273  0.91241895  0.74301859
   0.79004170  0.63549759  0.97733293
   0.54272055  0.65231130  0.89374284
   0.70503358  0.84088980  0.58878520
   0.49729661  0.84599822  0.44634403
   0.88850594  0.19379555  0.06535417
   0.92498872  0.41952483  0.29413251
   0.31389066  0.10335953  0.63763204
   0.36255445  0.66283846  0.70731276
   0.19453075  1.10671921  0.18701740
   0.26826053  1.06417733 -0.01353782
   0.63348004  0.35292290  0.84159370
   0.87118194  0.44567548  0.65923400
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873652    0.067913   -0.058661
    -0.000000    9.866928    0.026855
    -0.000000    0.000000   13.963651
   Si   O    H 
    32    64    10
Direct configuration=  1912
   0.16952344  0.17228393 -0.05356444
   0.33529865  0.08637839  0.37632361
   0.14740275  0.41213951  0.10333904
   0.36883981  0.33083993  0.24659841
   0.06496734  0.15520462  0.49692910
   0.42153229  0.12718569  0.84094214
   0.10448777  0.42282716  0.62519290
   0.35891527  0.38210116  0.74490867
   0.14767811  0.67677689 -0.01000344
   0.41543592  0.57199581  0.36473037
   0.08074734  0.89903654  0.13853440
   0.33045826  0.81582140  0.25110013
   0.16628980  0.65190135  0.48900476
   0.38801636  0.62922499  0.86216784
   0.05096284  0.89581828  0.60142103
   0.33169700  0.96945371  0.68264808
   0.62721937  0.13187076  1.00298185
   0.84181334  0.13032466  0.35134196
   0.62360718  0.39973430  0.11743054
   0.88198545  0.27326274  0.15413835
   0.60393772  0.17347134  0.49355633
   0.87974171  0.10786646  0.85938724
   0.59383410  0.44610612  0.61051932
   0.75062899  0.36150774  0.79084661
   0.62794709  0.66444534 -0.00486732
   0.90851661  0.59282269  0.38354515
   0.58422142  0.89066359  0.14472964
   0.83592931  0.84980865  0.26882875
   0.64878079  0.67310245  0.47909477
   0.88134436  0.60179189  0.88254016
   0.61111069  0.93491288  0.63527345
   0.82844860  0.84491923  0.75885769
   0.11779323  0.06692241  0.13745664
   0.31107070  0.18551582  0.27050742
   0.16177533  0.31493407  0.01044203
   0.36370702  0.42093227  0.34818268
   0.53363024  0.36667523  0.21433404
   0.29111217  0.38274835  0.16145251
   0.20255869  0.09689664  0.44636033
  -0.02345142  0.19806700  0.40099873
  -0.01411480  0.04454527  0.55586267
   0.45842688  0.24465565  0.75888028
   0.11364450  0.29434581  0.54488878
   0.38218731  0.45666308  0.84695478
   0.44972822  0.45775794  0.66412733
   0.21115727  0.37612940  0.70817145
   0.26131115  0.19157945 -0.15061809
   0.00280246  0.16261083  0.92661189
   0.14012196  0.57231690  0.08320743
   0.38735264  0.66000661  0.26896188
   0.10842467  0.83081407  0.03077187
   0.32904398  0.93567534  0.33401761
   0.42735167  0.88708936  0.16873942
   0.18079520  0.80933802  0.21449597
   0.31925178  0.64296744  0.44470356
   0.06371933  0.57608370  0.41718614
   0.17666438  0.56119240  0.58436778
   0.33786021  0.70604072  0.76879418
   0.10502113  0.80079262  0.51513377
   0.39500865  0.97822036  0.79300609
   0.45149086  0.88239466  0.62469309
   0.18188210  0.91235370  0.65942539
   0.29879794  0.68999034 -0.04893783
   0.04651906  0.62042561  0.90556396
   0.60797099  0.04736214  0.10272172
   0.83155496  0.19007412  0.24735586
   0.61266404  0.29471791  0.02866511
   0.85592715  0.44594160  0.34863448
   0.03475002  0.33818458  0.18035990
   0.78251318  0.40840930  0.15038873
   0.71330588  0.14711190  0.41540206
   0.46816133  0.12834529  0.43985498
   0.61850020  0.09422238  0.59672398
   0.82587586  0.21302776  0.77965712
   0.58229713  0.33535423  0.52836029
   0.86986550  0.44959205  0.85120010
   0.96611149  0.46528944  0.67072230
   0.72084109  0.42558162  0.68602789
   0.74488722  0.09799922  0.93259045
   0.48961684  0.11569320  0.94296479
   0.56966470  0.54829176  0.06863210
   0.90256368  0.70909056  0.29858825
   0.59487073  0.80269156  0.04376627
   0.86220863  0.96669928  0.34582322
   0.92284434  0.87404579  0.17399581
   0.67446741  0.83530407  0.23530280
   0.81532046  0.64401004  0.47358984
   0.56982812  0.56848183  0.40438321
   0.61259602  0.60810274  0.57965626
   0.82169478  0.70334858  0.80080456
   0.60220418  0.82795108  0.44163051
   0.91716852  0.95972221  0.82003288
   0.92076458  0.84722370  0.66163219
   0.67753313  0.91138918  0.74313770
   0.78995521  0.63676918  0.97794159
   0.54156973  0.65467140  0.89464892
   0.70073947  0.84686938  0.59076856
   0.49480961  0.84022413  0.44875575
   0.89055984  0.19443420  0.06445778
   0.92276296  0.42271589  0.30490508
   0.32407943  0.10122778  0.64195411
   0.35699315  0.65781039  0.71230069
   0.20301643  1.09975733  0.18680279
   0.26947307  1.06852910 -0.01559481
   0.62680701  0.35348813  0.83920374
   0.87502223  0.45052467  0.65411416
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871795    0.073807   -0.058262
    -0.000000    9.866990    0.023710
    -0.000000    0.000000   13.963167
   Si   O    H 
    32    64    10
Direct configuration=  1913
   0.17103289  0.17398079 -0.05368761
   0.33425366  0.08705808  0.37609798
   0.14753898  0.41105206  0.10358922
   0.36911003  0.33161601  0.24633798
   0.06455580  0.15408531  0.49648839
   0.42155694  0.12804281  0.84077984
   0.10509365  0.42361880  0.62583504
   0.35886829  0.38276365  0.74549721
   0.14678304  0.67570565 -0.00905299
   0.41462802  0.57154459  0.36471808
   0.08125475  0.89924725  0.13811667
   0.32964993  0.81549572  0.25201423
   0.16627495  0.65258105  0.48952805
   0.38679445  0.62841572  0.86221812
   0.05219375  0.89522584  0.60169002
   0.33314231  0.96881064  0.68239444
   0.62764162  0.13327149  1.00255264
   0.84272112  0.12974700  0.35118029
   0.62313467  0.39860567  0.11752446
   0.88231534  0.27389344  0.15374450
   0.60301573  0.17357738  0.49329178
   0.88071483  0.10869617  0.85885318
   0.59361618  0.44611515  0.61091417
   0.75076589  0.36100194  0.79191857
   0.62708914  0.66375126 -0.00457065
   0.90779874  0.59311866  0.38275662
   0.58425618  0.89043531  0.14459175
   0.83637746  0.84972463  0.26923275
   0.64824099  0.67323828  0.48041548
   0.88180283  0.60089382  0.88154219
   0.61093263  0.93248951  0.63584123
   0.82811778  0.84589622  0.75828316
   0.11930314  0.06730370  0.13857108
   0.31236495  0.18470717  0.26939374
   0.16146302  0.31467734  0.01101924
   0.36177752  0.41998582  0.34813222
   0.53224925  0.36500331  0.21524255
   0.29110567  0.38217870  0.16078343
   0.20350535  0.09855301  0.44662333
  -0.02522606  0.19844406  0.40057809
  -0.01409569  0.04612813  0.55695411
   0.45901563  0.24427104  0.75913615
   0.11360227  0.29417395  0.54351119
   0.38270586  0.45955414  0.84564539
   0.45076035  0.45665731  0.66552165
   0.21061212  0.37506684  0.70672412
   0.26262793  0.19285314 -0.14940581
   0.00292487  0.16230978  0.92665108
   0.14016363  0.57363547  0.08366293
   0.38831899  0.65908888  0.26954939
   0.10952980  0.82943778  0.03175999
   0.32930629  0.93631760  0.33427124
   0.42769450  0.88854534  0.16788662
   0.17854482  0.81002347  0.21397997
   0.31975649  0.64224649  0.44645082
   0.06232463  0.57538040  0.41779015
   0.17704910  0.56123175  0.58558037
   0.33834188  0.70572607  0.77075285
   0.10533676  0.80208196  0.51431045
   0.39597612  0.97863417  0.79242679
   0.45160684  0.88253069  0.62446581
   0.18116963  0.91212465  0.65999934
   0.29937258  0.68959257 -0.04839371
   0.04669022  0.61958900  0.90475940
   0.60831359  0.04655531  0.10279364
   0.83333364  0.19093954  0.24714079
   0.61222536  0.29502258  0.02854173
   0.85429042  0.44551566  0.34966707
   0.03507572  0.33866093  0.18006121
   0.78254401  0.40914304  0.15066620
   0.71329041  0.14785004  0.41440492
   0.46685712  0.12936053  0.44067497
   0.61790019  0.09380044  0.59777191
   0.82598999  0.21151409  0.77933562
   0.58099600  0.33557674  0.52910451
   0.86851719  0.44944824  0.85158889
   0.96605711  0.46623281  0.67102038
   0.72216197  0.42558556  0.68750498
   0.74579140  0.09704254  0.93147621
   0.48859816  0.11537530  0.94352987
   0.57046160  0.54928499  0.06884417
   0.90328679  0.70829981  0.29944397
   0.59572611  0.80327960  0.04352202
   0.86290207  0.96844387  0.34620011
   0.92338366  0.87324800  0.17221803
   0.67338245  0.83507618  0.23564762
   0.81533663  0.64204617  0.47313705
   0.56768113  0.56880870  0.40483131
   0.61128147  0.60729260  0.58050817
   0.82219089  0.70066647  0.80114352
   0.60097876  0.82687148  0.44289965
   0.91580574  0.95909527  0.82158528
   0.91895366  0.84742328  0.66172603
   0.67632884  0.90969437  0.74310549
   0.78997470  0.63827838  0.97804295
   0.54115024  0.65668811  0.89504345
   0.70160365  0.84818539  0.59086862
   0.50528039  0.83528960  0.45094516
   0.89227370  0.19663906  0.06559191
   0.93282442  0.42286360  0.31099424
   0.33581669  0.10202459  0.64613767
   0.35051197  0.65225317  0.70933795
   0.20065013  1.08829568  0.17850537
   0.26612476  1.07104132 -0.01501032
   0.61560439  0.35335517  0.84188817
   0.87256653  0.45585233  0.64697093
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869758    0.079263   -0.057507
    -0.000000    9.866711    0.020483
    -0.000000    0.000000   13.962837
   Si   O    H 
    32    64    10
Direct configuration=  1914
   0.17170061  0.17582716 -0.05342544
   0.33393958  0.08796741  0.37601908
   0.14753066  0.40959611  0.10396966
   0.36966810  0.33192912  0.24683543
   0.06439800  0.15331533  0.49601100
   0.42119605  0.12869927  0.84058204
   0.10531146  0.42472122  0.62635408
   0.35901113  0.38295091  0.74628270
   0.14592051  0.67474825 -0.00802209
   0.41408379  0.57077712  0.36482158
   0.08068965  0.89926973  0.13737234
   0.32862915  0.81509887  0.25264336
   0.16664447  0.65347209  0.48926959
   0.38621950  0.62756865  0.86279231
   0.05290958  0.89517657  0.60136858
   0.33416821  0.96861005  0.68206565
   0.62801775  0.13434623  1.00227275
   0.84369882  0.12952629  0.35089529
   0.62285032  0.39839023  0.11769225
   0.88195705  0.27443478  0.15368363
   0.60228428  0.17375507  0.49372921
   0.88109940  0.10943906  0.85870558
   0.59323055  0.44691314  0.61160747
   0.75067354  0.36097850  0.79278923
   0.62688677  0.66320187 -0.00453249
   0.90661733  0.59309137  0.38147945
   0.58408886  0.89018617  0.14370192
   0.83653738  0.84986046  0.26942856
   0.64790638  0.67358585  0.48152970
   0.88219548  0.60005708  0.88125705
   0.61019384  0.93111510  0.63656042
   0.82753441  0.84724659  0.75800323
   0.12058158  0.06679538  0.13923090
   0.31329170  0.18347800  0.26907139
   0.16131727  0.31381430  0.01082532
   0.36028352  0.41933707  0.34759518
   0.53102705  0.36313585  0.21601960
   0.29033340  0.38166366  0.15945366
   0.20432311  0.10064210  0.44705951
  -0.02720927  0.19805425  0.40087577
  -0.01401911  0.04691138  0.55832475
   0.45949371  0.24290594  0.75974501
   0.11313263  0.29378927  0.54286336
   0.38236071  0.46324140  0.84493639
   0.45114382  0.45536472  0.66655544
   0.21034645  0.37449906  0.70539850
   0.26298873  0.19403895 -0.14811955
   0.00350709  0.16149541  0.92673045
   0.14034223  0.57458453  0.08399000
   0.38880632  0.65826152  0.26938663
   0.11096715  0.82806386  0.03262254
   0.32880818  0.93698932  0.33471274
   0.42833335  0.88925190  0.16689756
   0.17667206  0.81145187  0.21346042
   0.31966275  0.64203208  0.44826208
   0.06103963  0.57487448  0.41859320
   0.17781134  0.56091730  0.58706212
   0.33818101  0.70494572  0.77190422
   0.10602502  0.80305642  0.51308629
   0.39669990  0.97975429  0.79241150
   0.45218155  0.88354586  0.62410034
   0.18179540  0.91240621  0.66068738
   0.29979117  0.68859194 -0.04772294
   0.04554877  0.61861187  0.90409678
   0.60820052  0.04572467  0.10294914
   0.83415818  0.19191469  0.24657867
   0.61235029  0.29554167  0.02864645
   0.85276842  0.44575758  0.35089420
   0.03476398  0.33935519  0.17932450
   0.78195509  0.40947450  0.15124152
   0.71329915  0.14843220  0.41388527
   0.46509681  0.13064840  0.44095685
   0.61740426  0.09254635  0.59898518
   0.82587546  0.21066103  0.77868093
   0.57996621  0.33511651  0.52998769
   0.86729163  0.44905471  0.85191722
   0.96626597  0.46706766  0.67072010
   0.72310361  0.42576819  0.68905104
   0.74722633  0.09664170  0.92965098
   0.48760996  0.11503267  0.94415208
   0.57157216  0.54997914  0.06890983
   0.90474990  0.70705385  0.30062153
   0.59635477  0.80484759  0.04343725
   0.86361996  0.96980640  0.34653252
   0.92433211  0.87233644  0.17050958
   0.67233103  0.83501023  0.23600909
   0.81553979  0.64122487  0.47311081
   0.56553026  0.56915434  0.40491353
   0.60958186  0.60614147  0.58111204
   0.82240627  0.69808122  0.80135205
   0.59977403  0.82564535  0.44402855
   0.91448471  0.95790486  0.82260850
   0.91726452  0.84732837  0.66182519
   0.67588716  0.90767652  0.74327018
   0.79012860  0.64003682  0.97818927
   0.54136644  0.65801780  0.89535670
   0.70369405  0.84495027  0.58897294
   0.50970733  0.83178296  0.45204058
   0.89149766  0.19794751  0.06534231
   0.94399845  0.42091629  0.31276590
   0.34559452  0.10751300  0.64772337
   0.34313466  0.65539769  0.71067658
   0.19516014  1.07571128  0.16788358
   0.26027678  1.07365385 -0.01374643
   0.61227780  0.35594009  0.84383098
   0.86548659  0.46202830  0.64340186
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867974    0.085113   -0.055823
    -0.000000    9.866385    0.017473
    -0.000000    0.000000   13.962277
   Si   O    H 
    32    64    10
Direct configuration=  1915
   0.17169521  0.17713847 -0.05311922
   0.33303206  0.08935493  0.37592767
   0.14785948  0.40749917  0.10457439
   0.37042433  0.33227609  0.24749347
   0.06414724  0.15328666  0.49550364
   0.41977815  0.12857165  0.84000321
   0.10611840  0.42528634  0.62720666
   0.35976511  0.38335814  0.74718941
   0.14558373  0.67384073 -0.00685796
   0.41359087  0.57026625  0.36500798
   0.08018740  0.90024007  0.13683285
   0.32821146  0.81497125  0.25324433
   0.16649215  0.65392981  0.48895244
   0.38614857  0.62630674  0.86323402
   0.05246574  0.89581249  0.60131137
   0.33545456  0.96823468  0.68176218
   0.62767208  0.13471098  1.00254478
   0.84451257  0.12943576  0.35057536
   0.62232570  0.39850511  0.11817529
   0.88194995  0.27564447  0.15356640
   0.60233196  0.17425063  0.49437847
   0.88162825  0.11040442  0.85893633
   0.59336394  0.44810578  0.61243704
   0.75063539  0.36083815  0.79376509
   0.62655326  0.66265301 -0.00440216
   0.90638054  0.59333155  0.38041900
   0.58433444  0.88936187  0.14284184
   0.83628008  0.84996819  0.26962608
   0.64856509  0.67377766  0.48208406
   0.88288439  0.59941877  0.88121713
   0.60961667  0.92929977  0.63740472
   0.82763814  0.84907023  0.75788033
   0.11962204  0.06608833  0.13932183
   0.31404358  0.18138603  0.26852679
   0.16077829  0.31351573  0.01009541
   0.35813241  0.41808153  0.34684912
   0.53017134  0.36146817  0.21609995
   0.28921448  0.38185257  0.15723356
   0.20524047  0.10218825  0.44772489
  -0.03002457  0.19738426  0.40129580
  -0.01397899  0.04639855  0.55950412
   0.46023445  0.24186815  0.76018826
   0.11299374  0.29476027  0.54245319
   0.38185826  0.46660049  0.84466047
   0.45117653  0.45398454  0.66800332
   0.21007848  0.37426324  0.70448398
   0.26374025  0.19500158 -0.14704386
   0.00413539  0.16045596  0.92691554
   0.13992461  0.57503772  0.08396005
   0.38901749  0.65791288  0.26951813
   0.11287365  0.82683057  0.03294477
   0.32856902  0.93807888  0.33543222
   0.42825900  0.88991972  0.16643405
   0.17498604  0.81312255  0.21317568
   0.32031553  0.64221002  0.45011237
   0.05941575  0.57529338  0.41917258
   0.17786777  0.56109876  0.58848515
   0.33835463  0.70475696  0.77201673
   0.10691049  0.80442387  0.51197689
   0.39795190  0.98107572  0.79160192
   0.45244376  0.88391818  0.62439248
   0.18244609  0.91311435  0.66179730
   0.30009437  0.68766067 -0.04743315
   0.04483736  0.61732162  0.90408796
   0.60870904  0.04522987  0.10324187
   0.83533480  0.19249287  0.24663777
   0.61287567  0.29600758  0.02880227
   0.85226116  0.44663421  0.35180247
   0.03461826  0.34053218  0.17830788
   0.78145415  0.40948108  0.15139692
   0.71327138  0.14931763  0.41413010
   0.46325769  0.13204098  0.44073241
   0.61707552  0.09190498  0.59977324
   0.82670281  0.20986936  0.77826526
   0.57979749  0.33481294  0.53038565
   0.86602560  0.44733737  0.85181180
   0.96572631  0.46778335  0.67040106
   0.72359372  0.42628269  0.69049364
   0.74827939  0.09646227  0.92837320
   0.48603021  0.11465404  0.94460364
   0.57266589  0.55010539  0.06866187
   0.90493375  0.70673619  0.30215174
   0.59692580  0.80709285  0.04327598
   0.86519593  0.97101075  0.34666723
   0.92507808  0.87217136  0.16903356
   0.67225794  0.83452890  0.23641709
   0.81517845  0.63935114  0.47283342
   0.56291186  0.56952515  0.40534822
   0.60796986  0.60515039  0.58130088
   0.82251046  0.69592328  0.80158758
   0.60024467  0.82456472  0.44526965
   0.91251980  0.95638379  0.82316207
   0.91616263  0.84677042  0.66227393
   0.67649554  0.90584150  0.74355519
   0.78981238  0.64172179  0.97756544
   0.54149737  0.65980290  0.89575407
   0.70736945  0.84369921  0.58634377
   0.49244077  0.83335328  0.45431333
   0.88857825  0.19423059  0.06539941
   0.94246709  0.41557313  0.31589327
   0.35076986  0.11321425  0.64946403
   0.33249964  0.66072578  0.71099531
   0.21891549  1.07158950  0.17013102
   0.25191592  1.07275147 -0.01167997
   0.61568785  0.35961375  0.84419404
   0.86976460  0.46711448  0.64184741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865927    0.090310   -0.053359
    -0.000000    9.865958    0.014705
    -0.000000    0.000000   13.961720
   Si   O    H 
    32    64    10
Direct configuration=  1916
   0.17125611  0.17821631 -0.05283131
   0.33225100  0.09009375  0.37557414
   0.14747295  0.40502396  0.10484683
   0.37176472  0.33264692  0.24813452
   0.06390685  0.15409749  0.49489974
   0.41782318  0.12793673  0.83948860
   0.10726029  0.42578698  0.62754172
   0.36069338  0.38296578  0.74794577
   0.14521138  0.67228241 -0.00601684
   0.41344799  0.56952397  0.36545402
   0.07914776  0.90097748  0.13608336
   0.32819821  0.81492535  0.25387878
   0.16664505  0.65409054  0.48868577
   0.38736003  0.62589185  0.86394960
   0.05085010  0.89579585  0.60089254
   0.33653794  0.96855993  0.68150972
   0.62689941  0.13517707  1.00271564
   0.84526524  0.12952286  0.35051992
   0.62185936  0.39832416  0.11858038
   0.88182460  0.27712256  0.15349160
   0.60177795  0.17425263  0.49514036
   0.88232317  0.11128130  0.85932511
   0.59345952  0.44893729  0.61321834
   0.75008433  0.36007283  0.79509069
   0.62643816  0.66232876 -0.00396483
   0.90539368  0.59357652  0.37959158
   0.58471978  0.88882556  0.14194494
   0.83616068  0.85001943  0.26966163
   0.64939976  0.67404409  0.48260384
   0.88368601  0.59937772  0.88156632
   0.60906061  0.92802503  0.63835061
   0.82838356  0.85010024  0.75807016
   0.11891636  0.06481331  0.13983563
   0.31460423  0.17874364  0.26847182
   0.15979028  0.31357519  0.00948108
   0.35560374  0.41687922  0.34611954
   0.52982228  0.35957210  0.21563044
   0.28852400  0.38224568  0.15465645
   0.20551330  0.10417475  0.44815596
  -0.03200630  0.19610233  0.40201844
  -0.01360956  0.04578538  0.56081352
   0.46064917  0.24071470  0.76072507
   0.11191832  0.29603124  0.54295530
   0.38069177  0.46967821  0.84480464
   0.45154749  0.45169155  0.66909507
   0.20953235  0.37386427  0.70382810
   0.26404961  0.19634629 -0.14644471
   0.00430269  0.15966447  0.92687793
   0.13859649  0.57473809  0.08406632
   0.38904272  0.65897567  0.26944745
   0.11448962  0.82689727  0.03392926
   0.32915953  0.93865959  0.33571566
   0.42702569  0.89010480  0.16600284
   0.17355884  0.81527534  0.21338014
   0.32221250  0.64241101  0.45182505
   0.05849566  0.57539674  0.41964728
   0.17835497  0.56207574  0.59009488
   0.33845918  0.70395474  0.77219599
   0.10816164  0.80521120  0.51024408
   0.39863404  0.98248011  0.79044334
   0.45298743  0.88452589  0.62430686
   0.18447346  0.91334763  0.66290956
   0.30061492  0.68740166 -0.04714306
   0.04515370  0.61609685  0.90415286
   0.60951509  0.04502102  0.10350006
   0.83729295  0.19234369  0.24668923
   0.61364129  0.29709487  0.02881804
   0.85324099  0.44727178  0.35268661
   0.03439798  0.34173157  0.17680792
   0.78061588  0.40909413  0.15142043
   0.71326447  0.15037365  0.41409724
   0.46102417  0.13307941  0.43995034
   0.61713292  0.09117655  0.60024601
   0.82818413  0.20996522  0.77767859
   0.58031475  0.33343373  0.53027574
   0.86471855  0.44562601  0.85181786
   0.96536065  0.46799042  0.66983801
   0.72395478  0.42654860  0.69179251
   0.74881137  0.09623375  0.92729343
   0.48470102  0.11362136  0.94511465
   0.57335122  0.55027473  0.06869109
   0.90426766  0.70680260  0.30347338
   0.59688891  0.80925575  0.04309492
   0.86680801  0.97174467  0.34570493
   0.92551237  0.87210805  0.16823148
   0.67318492  0.83304376  0.23620870
   0.81495261  0.63800917  0.47214531
   0.56038347  0.57052698  0.40667640
   0.60647889  0.60393370  0.58117491
   0.82217724  0.69421681  0.80118945
   0.59947943  0.82293295  0.44672174
   0.91022148  0.95488937  0.82339676
   0.91596899  0.84535344  0.66242699
   0.67672721  0.90446368  0.74408628
   0.78986529  0.64288153  0.97643096
   0.54205634  0.66216191  0.89616640
   0.71082413  0.84442767  0.58161134
   0.49109847  0.83685205  0.45240802
   0.88445565  0.18950639  0.06900035
   0.93191151  0.40809457  0.31988744
   0.34895747  0.11453756  0.65046701
   0.32089127  0.66587776  0.70584438
   0.22893531  1.07269698  0.17085009
   0.24439906  1.06859849 -0.00712568
   0.62617409  0.36564384  0.84348354
   0.87929670  0.46712882  0.64308332
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.864231    0.095405   -0.050688
    -0.000000    9.865956    0.012072
    -0.000000    0.000000   13.961001
   Si   O    H 
    32    64    10
Direct configuration=  1917
   0.17069534  0.17807185 -0.05232614
   0.33161227  0.09124091  0.37481340
   0.14736112  0.40318482  0.10465325
   0.37320741  0.33281628  0.24826294
   0.06346782  0.15520377  0.49418279
   0.41579549  0.12737797  0.83955581
   0.10843709  0.42591623  0.62759994
   0.36162605  0.38237922  0.74842659
   0.14516563  0.67107660 -0.00572496
   0.41293755  0.56814137  0.36603916
   0.07860568  0.90159294  0.13565929
   0.32916340  0.81477119  0.25410828
   0.16602858  0.65422244  0.48835486
   0.38871660  0.62526051  0.86463891
   0.04968863  0.89596192  0.60054447
   0.33761661  0.96908488  0.68112875
   0.62615732  0.13547369  1.00299163
   0.84567324  0.12997597  0.35072375
   0.62101238  0.39857304  0.11905982
   0.88131290  0.27825366  0.15341868
   0.60066961  0.17463246  0.49604524
   0.88328765  0.11139015  0.85949918
   0.59354903  0.45003232  0.61400868
   0.74960171  0.35887092  0.79682508
   0.62645983  0.66236570 -0.00332812
   0.90436137  0.59366898  0.37852812
   0.58591740  0.88846762  0.14132892
   0.83660168  0.85036660  0.26968780
   0.65002301  0.67408425  0.48284347
   0.88431519  0.59929451  0.88223421
   0.60865291  0.92730458  0.63898263
   0.82862125  0.85127049  0.75853197
   0.11850471  0.06333004  0.13998360
   0.31603860  0.17563671  0.26859363
   0.15915165  0.31450897  0.00882577
   0.35340151  0.41556925  0.34551709
   0.52994393  0.35763255  0.21560626
   0.28872950  0.38250743  0.15182638
   0.20576916  0.10615393  0.44868699
  -0.03316878  0.19441524  0.40255275
  -0.01333599  0.04386451  0.56175562
   0.46100990  0.23909493  0.76103544
   0.11051343  0.29785599  0.54321799
   0.38028085  0.47210788  0.84464313
   0.45227410  0.45080190  0.66926073
   0.20831046  0.37336363  0.70335813
   0.26444956  0.19679443 -0.14581873
   0.00506449  0.15847020  0.92616455
   0.13661907  0.57333911  0.08400732
   0.38906152  0.66055307  0.26993093
   0.11659300  0.82770286  0.03455027
   0.32993581  0.93811067  0.33604095
   0.42440473  0.89036928  0.16621354
   0.17299598  0.81673885  0.21350169
   0.32364081  0.64245304  0.45292070
   0.05807551  0.57554203  0.42008193
   0.17914605  0.56295606  0.59055024
   0.33871379  0.70356319  0.77175660
   0.10897435  0.80617980  0.50853957
   0.39871281  0.98363218  0.78947294
   0.45324503  0.88478529  0.62396383
   0.18600579  0.91342900  0.66446248
   0.30094081  0.68758572 -0.04675808
   0.04505015  0.61532686  0.90471578
   0.61125215  0.04492123  0.10301676
   0.83914418  0.19174493  0.24649652
   0.61398899  0.29779591  0.02843311
   0.85357823  0.44800098  0.35356490
   0.03432464  0.34309087  0.17525913
   0.77944300  0.40955462  0.15103576
   0.71312679  0.15124955  0.41453740
   0.45883220  0.13403815  0.43920028
   0.61661475  0.09007387  0.60004357
   0.82979858  0.21099310  0.77708856
   0.58183025  0.33119685  0.52975080
   0.86415657  0.44351063  0.85112397
   0.96572407  0.46834299  0.66996652
   0.72362717  0.42716606  0.69260986
   0.74805570  0.09523069  0.92667740
   0.48384851  0.11292927  0.94553805
   0.57413310  0.55031726  0.06946284
   0.90309143  0.70727881  0.30439206
   0.59749596  0.80989752  0.04260069
   0.86855130  0.97207629  0.34414378
   0.92516145  0.87273614  0.16717166
   0.67416948  0.83165187  0.23575928
   0.81527006  0.63796503  0.47176263
   0.55827923  0.57132401  0.40781289
   0.60493111  0.60205981  0.58118402
   0.82157026  0.69289075  0.80018451
   0.59806130  0.82157083  0.44742133
   0.90888126  0.95402523  0.82353670
   0.91687392  0.84393565  0.66169124
   0.67609873  0.90353497  0.74495328
   0.78950423  0.64382589  0.97559708
   0.54213657  0.66446668  0.89698111
   0.71163637  0.84816928  0.57919515
   0.50345502  0.83799479  0.44724074
   0.88067792  0.18610309  0.07432855
   0.92092081  0.39652244  0.32374768
   0.34337772  0.11360417  0.65076272
   0.31091453  0.67177732  0.70497277
   0.22213809  1.07849877  0.16793823
   0.23602673  1.06014905 -0.00560242
   0.63142665  0.37078728  0.84564749
   0.87640449  0.46944720  0.64227395
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862689    0.100727   -0.047707
    -0.000000    9.866042    0.009712
    -0.000000    0.000000   13.960503
   Si   O    H 
    32    64    10
Direct configuration=  1918
   0.16968810  0.17804681 -0.05165915
   0.33040716  0.09302459  0.37395268
   0.14662600  0.40126400  0.10417905
   0.37435450  0.33324176  0.24838798
   0.06235063  0.15652481  0.49367759
   0.41367151  0.12639974  0.83994799
   0.10938539  0.42613314  0.62757860
   0.36247533  0.38125176  0.74882318
   0.14470625  0.67018034 -0.00536231
   0.41197676  0.56640054  0.36638613
   0.07876603  0.90235161  0.13508256
   0.33059656  0.81472559  0.25390281
   0.16541406  0.65382173  0.48811844
   0.38965217  0.62514212  0.86498569
   0.04851879  0.89652137  0.60029884
   0.33856756  0.97059827  0.68067140
   0.62490228  0.13613932  1.00340804
   0.84554824  0.13078191  0.35065886
   0.62057827  0.39871933  0.11936605
   0.88096632  0.27956868  0.15343865
   0.59922695  0.17478549  0.49700069
   0.88419517  0.11149520  0.85989723
   0.59338418  0.45065825  0.61465151
   0.74955257  0.35812585  0.79830506
   0.62673849  0.66268385 -0.00291594
   0.90457398  0.59387724  0.37741356
   0.58715939  0.88796984  0.14061699
   0.83715645  0.85041934  0.26944283
   0.65054456  0.67408804  0.48310294
   0.88473741  0.59932484  0.88296388
   0.60854117  0.92648534  0.63932472
   0.82943784  0.85181394  0.75909567
   0.11884125  0.06313214  0.14064890
   0.31696116  0.17305300  0.26953098
   0.15886225  0.31542119  0.00833369
   0.35134787  0.41492406  0.34465600
   0.53165743  0.35612446  0.21532283
   0.28993951  0.38293162  0.14913034
   0.20658068  0.10792557  0.44912129
  -0.03457315  0.19308094  0.40333838
  -0.01325467  0.04292010  0.56277499
   0.46146408  0.23706504  0.76136157
   0.10857430  0.29996121  0.54330546
   0.38040472  0.47217002  0.84478473
   0.45263908  0.45054996  0.66959933
   0.20729383  0.37274213  0.70434975
   0.26419644  0.19739201 -0.14524352
   0.00591739  0.15725289  0.92507501
   0.13441788  0.57092712  0.08400369
   0.39020305  0.66191766  0.26989058
   0.11933057  0.82927179  0.03467534
   0.32972833  0.93741383  0.33601353
   0.42177688  0.89026709  0.16657712
   0.17310430  0.81774193  0.21383060
   0.32522221  0.64260260  0.45383610
   0.05763471  0.57684277  0.42050537
   0.18010275  0.56435427  0.59083000
   0.33840956  0.70327204  0.77176476
   0.10916611  0.80707520  0.50702051
   0.39883445  0.98421644  0.78861004
   0.45346839  0.88472913  0.62389335
   0.18730285  0.91378849  0.66650129
   0.30040895  0.68870253 -0.04677873
   0.04663664  0.61468543  0.90595208
   0.61285843  0.04524234  0.10232731
   0.84109727  0.19151917  0.24636382
   0.61423031  0.29935902  0.02740880
   0.85288005  0.44957104  0.35454404
   0.03413964  0.34386475  0.17353474
   0.77835262  0.41070614  0.15066663
   0.71283008  0.15212867  0.41490488
   0.45708973  0.13484071  0.43912821
   0.61598433  0.08920252  0.59910750
   0.83085661  0.21124847  0.77615225
   0.58356578  0.32947452  0.52934497
   0.86331698  0.44205629  0.85077714
   0.96643156  0.46859877  0.66965698
   0.72326287  0.42812535  0.69315140
   0.74692212  0.09367395  0.92616075
   0.48334460  0.11147601  0.94610096
   0.57468783  0.55002761  0.07091471
   0.90207302  0.70843270  0.30431118
   0.59805859  0.81052255  0.04190133
   0.86977171  0.97142752  0.34293564
   0.92449963  0.87361703  0.16663099
   0.67448128  0.83029129  0.23494025
   0.81500170  0.63812756  0.47165576
   0.55735665  0.57206855  0.40905937
   0.60347340  0.60030743  0.58069145
   0.82153713  0.69210124  0.79870627
   0.59794919  0.82015645  0.44801932
   0.90778554  0.95409880  0.82308697
   0.91814703  0.84262121  0.66073086
   0.67533381  0.90234540  0.74582980
   0.78913968  0.64508971  0.97526531
   0.54221134  0.66689006  0.89745460
   0.70997378  0.85178972  0.57846441
   0.50894651  0.83991156  0.44269705
   0.87901436  0.18309646  0.07502986
   0.91966666  0.38336294  0.32440093
   0.33842344  0.11333290  0.65045855
   0.30287709  0.67549894  0.70789037
   0.20219132  1.08479585  0.16339249
   0.22618877  1.05338525 -0.00312726
   0.62714140  0.37118144  0.85283523
   0.87265379  0.47169089  0.64086869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861451    0.106192   -0.044483
    -0.000000    9.866284    0.007401
    -0.000000    0.000000   13.960449
   Si   O    H 
    32    64    10
Direct configuration=  1919
   0.16850712  0.17742385 -0.05101516
   0.32963213  0.09440133  0.37325878
   0.14624250  0.39972290  0.10333582
   0.37533754  0.33340716  0.24848171
   0.06122287  0.15845395  0.49329642
   0.41148239  0.12557183  0.84026072
   0.10990753  0.42650362  0.62734835
   0.36304639  0.37958601  0.74921050
   0.14471303  0.67008053 -0.00484969
   0.41089779  0.56476515  0.36682670
   0.07954481  0.90293268  0.13515664
   0.33189860  0.81510928  0.25377345
   0.16484949  0.65324359  0.48816135
   0.39097995  0.62528737  0.86574654
   0.04788878  0.89716030  0.59979506
   0.33918076  0.97263516  0.68071765
   0.62383299  0.13635973  1.00379229
   0.84574541  0.13044698  0.35098268
   0.61955298  0.39863922  0.11960775
   0.88043090  0.28057999  0.15340169
   0.59718816  0.17494161  0.49794142
   0.88443472  0.11094337  0.86036905
   0.59344564  0.45063956  0.61542490
   0.74971767  0.35710151  0.79929086
   0.62684720  0.66271385 -0.00273164
   0.90492813  0.59417910  0.37690421
   0.58761804  0.88791485  0.13949983
   0.83731981  0.85090171  0.26896769
   0.65058643  0.67377403  0.48298930
   0.88474958  0.59945615  0.88416578
   0.60934828  0.92626136  0.63912395
   0.82962678  0.85167836  0.75893193
   0.11789014  0.06238594  0.14107580
   0.31769716  0.17081491  0.27054573
   0.15811322  0.31677078  0.00823341
   0.34973238  0.41466909  0.34382125
   0.53177041  0.35465056  0.21523221
   0.29218545  0.38308417  0.14751547
   0.20754746  0.10949208  0.44927435
  -0.03553558  0.19247543  0.40468696
  -0.01331889  0.04266081  0.56369772
   0.46222599  0.23504196  0.76190751
   0.10644645  0.30249375  0.54330702
   0.38150318  0.47125540  0.84465684
   0.45418651  0.45095029  0.66968728
   0.20805993  0.37239981  0.70558500
   0.26294206  0.19823797 -0.14460363
   0.00675369  0.15653819  0.92403568
   0.13271703  0.56883605  0.08425562
   0.39130932  0.66395819  0.26995133
   0.12161011  0.82980927  0.03399725
   0.32934795  0.93662317  0.33625065
   0.41939173  0.89001696  0.16718711
   0.17310307  0.81871799  0.21409889
   0.32705350  0.64272005  0.45430036
   0.05751865  0.57842391  0.42036516
   0.18050874  0.56656916  0.59113872
   0.33756964  0.70269423  0.77111158
   0.10901977  0.80781110  0.50604633
   0.39868306  0.98433693  0.78785715
   0.45286471  0.88387882  0.62442776
   0.18876669  0.91403731  0.66844016
   0.29966242  0.69058770 -0.04724561
   0.04788848  0.61470000  0.90691941
   0.61475781  0.04555704  0.10168998
   0.84324916  0.19154074  0.24615887
   0.61506986  0.30086949  0.02682255
   0.85187400  0.45043157  0.35435992
   0.03331816  0.34376640  0.17218130
   0.77792384  0.41130985  0.15054183
   0.71300069  0.15259562  0.41572920
   0.45556134  0.13516384  0.43850449
   0.61597057  0.08796149  0.59799219
   0.83099717  0.21161034  0.77506536
   0.58546794  0.32892521  0.52975543
   0.86219539  0.44135292  0.85040438
   0.96763558  0.46901663  0.67020149
   0.72243914  0.42883671  0.69334258
   0.74566150  0.09208445  0.92608954
   0.48285481  0.11025250  0.94644079
   0.57470806  0.54892118  0.07217808
   0.90107581  0.70995588  0.30322759
   0.59804065  0.81108269  0.04178984
   0.87170958  0.97075882  0.34219866
   0.92331115  0.87450607  0.16644542
   0.67542478  0.82994156  0.23377201
   0.81384204  0.63779130  0.47169565
   0.55686337  0.57239738  0.40997610
   0.60202791  0.59939726  0.57993838
   0.82187771  0.69146869  0.79696924
   0.59901501  0.81766396  0.44872113
   0.90742952  0.95489397  0.82311171
   0.91987260  0.84161313  0.65991898
   0.67467980  0.90102231  0.74666586
   0.78968397  0.64598122  0.97528029
   0.54179762  0.66807419  0.89796484
   0.70790300  0.85522315  0.57930271
   0.49740704  0.84668798  0.43666670
   0.87665797  0.17944247  0.07445424
   0.91587791  0.37848179  0.33010051
   0.33317683  0.11478620  0.64973431
   0.29783770  0.67802233  0.71533850
   0.20196101  1.09091258  0.16414331
   0.21436258  1.05065731 -0.00354871
   0.61940952  0.37135196  0.85976407
   0.87420301  0.47557478  0.64116797
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860150    0.112027   -0.041319
    -0.000000    9.866907    0.005251
    -0.000000    0.000000   13.960600
   Si   O    H 
    32    64    10
Direct configuration=  1920
   0.16772037  0.17665713 -0.05054491
   0.32897522  0.09539128  0.37282710
   0.14608033  0.39932283  0.10285283
   0.37577267  0.33391580  0.24822874
   0.06054023  0.16005087  0.49296834
   0.40997786  0.12452279  0.84092086
   0.11019803  0.42667023  0.62697849
   0.36313613  0.37787668  0.74960462
   0.14575721  0.67026084 -0.00454154
   0.40966813  0.56368952  0.36728170
   0.08014098  0.90273071  0.13524831
   0.33349391  0.81601140  0.25388853
   0.16469686  0.65352564  0.48784219
   0.39197807  0.62632738  0.86657349
   0.04693471  0.89735248  0.59959735
   0.34027192  0.97500534  0.68084152
   0.62263719  0.13664248  1.00380028
   0.84500388  0.13001249  0.35097656
   0.61844431  0.39870866  0.11987345
   0.87964107  0.28147249  0.15331375
   0.59573212  0.17484305  0.49853339
   0.88479848  0.11036146  0.86082265
   0.59348517  0.44995400  0.61644322
   0.74972731  0.35668219  0.80019989
   0.62676064  0.66274748 -0.00255232
   0.90516068  0.59442507  0.37657988
   0.58773821  0.88776438  0.13847418
   0.83823806  0.85185249  0.26815105
   0.65048832  0.67338007  0.48285775
   0.88474443  0.59958034  0.88515536
   0.61025828  0.92647965  0.63890013
   0.83041123  0.85120100  0.75851181
   0.11661108  0.06155371  0.14162488
   0.31823631  0.17001921  0.27133446
   0.15700883  0.31732472  0.00778910
   0.34822439  0.41526536  0.34401113
   0.53191172  0.35363687  0.21484081
   0.29444650  0.38267805  0.14684109
   0.20865396  0.11107273  0.44922954
  -0.03582660  0.19160002  0.40662916
  -0.01266918  0.04291148  0.56406583
   0.46236728  0.23335388  0.76270172
   0.10491591  0.30458387  0.54328850
   0.38289986  0.46940976  0.84482682
   0.45528755  0.45234199  0.66955279
   0.20844071  0.37238993  0.70696216
   0.26303625  0.19959104 -0.14359796
   0.00814489  0.15579874  0.92289033
   0.13087788  0.56697972  0.08429991
   0.39265683  0.66523285  0.26997240
   0.12380222  0.83031875  0.03315651
   0.32859938  0.93627440  0.33710686
   0.41785498  0.88994659  0.16785193
   0.17317661  0.81847716  0.21438997
   0.32760864  0.64276896  0.45436721
   0.05766298  0.58000497  0.41970975
   0.18117505  0.56705492  0.59109930
   0.33742324  0.70261913  0.77086301
   0.10849254  0.80828094  0.50560322
   0.39829154  0.98374285  0.78709170
   0.45274111  0.88276680  0.62497354
   0.18943239  0.91440010  0.67019522
   0.29878890  0.69178367 -0.04745279
   0.04914624  0.61419329  0.90757384
   0.61641709  0.04600822  0.10156919
   0.84462377  0.19167855  0.24608189
   0.61628336  0.30092110  0.02713438
   0.85109013  0.45170377  0.35408081
   0.03329576  0.34391219  0.17166911
   0.77772630  0.41212607  0.14971783
   0.71273064  0.15340999  0.41692133
   0.45476975  0.13484181  0.43844768
   0.61684643  0.08695997  0.59657756
   0.83165536  0.21198855  0.77352222
   0.58764129  0.32833742  0.53047218
   0.86138647  0.44050480  0.85012521
   0.96811853  0.47042429  0.67038414
   0.72126107  0.42961449  0.69339867
   0.74440136  0.09054700  0.92617441
   0.48260766  0.10906228  0.94703266
   0.57434619  0.54795273  0.07329177
   0.90045189  0.71194435  0.30171677
   0.59760464  0.81070437  0.04168552
   0.87418819  0.96992396  0.34131134
   0.92155619  0.87575286  0.16600708
   0.67683581  0.82987949  0.23282884
   0.81308712  0.63796011  0.47262265
   0.55720605  0.57272526  0.41033695
   0.60088119  0.59942409  0.57883928
   0.82178995  0.69146183  0.79547334
   0.59959337  0.81595036  0.44893160
   0.90785727  0.95653902  0.82287721
   0.92162932  0.84081957  0.65869473
   0.67439950  0.89980836  0.74661698
   0.79007955  0.64688021  0.97541434
   0.54160587  0.66902654  0.89819346
   0.70636726  0.85766337  0.57887556
   0.50368414  0.84825414  0.43304244
   0.87273278  0.17723236  0.07280435
   0.91273592  0.37774163  0.33526198
   0.32777081  0.11653178  0.64883642
   0.28519525  0.67603989  0.71391550
   0.20853238  1.09565939  0.16647211
   0.20401213  1.05234447 -0.00454593
   0.61730534  0.37024283  0.86266525
   0.87906618  0.47695450  0.64277161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859032    0.117935   -0.038018
    -0.000000    9.867942    0.003276
    -0.000000    0.000000   13.960874
   Si   O    H 
    32    64    10
Direct configuration=  1921
   0.16712635  0.17587365 -0.05007569
   0.32843602  0.09626735  0.37278185
   0.14552183  0.39928221  0.10243699
   0.37550375  0.33462851  0.24833973
   0.06028971  0.16199327  0.49277738
   0.40825785  0.12391508  0.84155319
   0.11019162  0.42635143  0.62670761
   0.36379940  0.37534979  0.74998967
   0.14680355  0.67077712 -0.00417622
   0.40870584  0.56333767  0.36777781
   0.08043276  0.90238684  0.13563186
   0.33486321  0.81746186  0.25397446
   0.16491422  0.65392198  0.48725340
   0.39221935  0.62811029  0.86711798
   0.04635692  0.89774435  0.59920984
   0.34148586  0.97746365  0.68117276
   0.62128041  0.13646355  1.00409281
   0.84403496  0.12966793  0.35121867
   0.61750321  0.39903539  0.11981022
   0.87919468  0.28201210  0.15313232
   0.59498554  0.17448943  0.49875231
   0.88522613  0.10935640  0.86110618
   0.59322219  0.44896639  0.61699783
   0.74965850  0.35611260  0.80097079
   0.62738403  0.66298557 -0.00198603
   0.90520325  0.59495266  0.37616709
   0.58733596  0.88843324  0.13772909
   0.83932720  0.85241979  0.26721661
   0.64994824  0.67277816  0.48254607
   0.88366420  0.59928190  0.88607684
   0.61125772  0.92673962  0.63895216
   0.83141168  0.85038470  0.75807966
   0.11538332  0.06077936  0.14228433
   0.31889319  0.17105942  0.27147272
   0.15566675  0.31889213  0.00717306
   0.34627385  0.41614232  0.34367313
   0.53237414  0.35198387  0.21425455
   0.29713869  0.38139383  0.14663239
   0.20937172  0.11282976  0.44946995
  -0.03592672  0.19013623  0.40844257
  -0.01161320  0.04435883  0.56375120
   0.46168187  0.23207959  0.76367384
   0.10299354  0.30557310  0.54362287
   0.38439461  0.46720217  0.84549851
   0.45634913  0.45443092  0.66979156
   0.20844701  0.37258800  0.70828624
   0.26253743  0.20102849 -0.14268232
   0.00953065  0.15494995  0.92198594
   0.12991139  0.56470413  0.08442637
   0.39300932  0.66645418  0.27038010
   0.12574121  0.83035781  0.03188977
   0.32809163  0.93525549  0.33763625
   0.41667440  0.88985369  0.16777302
   0.17279669  0.81776170  0.21502158
   0.32880107  0.64300745  0.45421587
   0.05804202  0.58091007  0.41840297
   0.18117693  0.56692146  0.59070552
   0.33717524  0.70250686  0.77027307
   0.10754645  0.80892175  0.50545921
   0.39884593  0.98355522  0.78658614
   0.45344250  0.88172745  0.62535873
   0.18900979  0.91462562  0.67211386
   0.29736803  0.69175402 -0.04729917
   0.05043404  0.61334234  0.90839392
   0.61799961  0.04600232  0.10188674
   0.84657939  0.19236868  0.24607691
   0.61729884  0.30037396  0.02709927
   0.85091282  0.45239332  0.35338204
   0.03305459  0.34290551  0.17169131
   0.77760181  0.41271051  0.14937464
   0.71142650  0.15451336  0.41845643
   0.45431057  0.13470787  0.43820564
   0.61752387  0.08583180  0.59560102
   0.83235215  0.21222169  0.77286665
   0.59063639  0.32735207  0.53110639
   0.86089966  0.44090422  0.85011259
   0.96913990  0.47143956  0.67098162
   0.71972535  0.42993305  0.69305729
   0.74291446  0.08905860  0.92657634
   0.48239713  0.10738768  0.94756984
   0.57317956  0.54621588  0.07378921
   0.90015013  0.71350168  0.29968957
   0.59789350  0.80972596  0.04155905
   0.87667449  0.96951300  0.34072162
   0.92089042  0.87729839  0.16573513
   0.67795015  0.82966590  0.23128278
   0.81186526  0.63879322  0.47382628
   0.55746021  0.57220108  0.41005360
   0.59980152  0.59998090  0.57847601
   0.82191028  0.69114667  0.79452385
   0.59956995  0.81508440  0.44862792
   0.90918328  0.95780775  0.82282378
   0.92253170  0.84032995  0.65793423
   0.67364306  0.89946274  0.74605992
   0.78992465  0.64717878  0.97515384
   0.54200994  0.66987648  0.89827050
   0.70520496  0.85764971  0.57656500
   0.51753512  0.84512296  0.43027904
   0.87069255  0.18041981  0.07318548
   0.90812511  0.37878307  0.34130249
   0.32066155  0.11527091  0.64594076
   0.27511182  0.67488577  0.71383673
   0.20723610  1.09492128  0.16654441
   0.19763038  1.05347111 -0.00413144
   0.62129506  0.36652285  0.86354723
   0.87892745  0.47839851  0.64513508
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857715    0.123841   -0.034666
    -0.000000    9.868953    0.001269
    -0.000000    0.000000   13.960966
   Si   O    H 
    32    64    10
Direct configuration=  1922
   0.16738801  0.17551757 -0.04987250
   0.32772887  0.09710254  0.37274933
   0.14477630  0.39989114  0.10210902
   0.37532821  0.33513468  0.24823057
   0.06028935  0.16378025  0.49303155
   0.40765580  0.12402493  0.84217467
   0.10994959  0.42672438  0.62621310
   0.36449169  0.37301135  0.75048563
   0.14775956  0.67116657 -0.00377828
   0.40796748  0.56303763  0.36820278
   0.08086862  0.90176615  0.13656620
   0.33603287  0.81901031  0.25402140
   0.16484295  0.65448393  0.48718837
   0.39165324  0.62966570  0.86778414
   0.04617768  0.89805257  0.59914278
   0.34172633  0.97971692  0.68124124
   0.62065061  0.13646545  1.00439126
   0.84278467  0.12909100  0.35116027
   0.61625439  0.39928611  0.12021527
   0.87917962  0.28215396  0.15288003
   0.59440406  0.17389858  0.49833291
   0.88520643  0.10787344  0.86105497
   0.59303788  0.44726018  0.61756152
   0.74879342  0.35533025  0.80143375
   0.62767246  0.66323894 -0.00136578
   0.90555626  0.59539674  0.37595113
   0.58669846  0.88903790  0.13710840
   0.84113740  0.85354169  0.26636869
   0.64937508  0.67141381  0.48185262
   0.88235435  0.59840101  0.88667766
   0.61268989  0.92650959  0.63855406
   0.83214783  0.84940239  0.75808774
   0.11450937  0.06071876  0.14288824
   0.31988417  0.17294566  0.27203615
   0.15439781  0.32019877  0.00611038
   0.34467402  0.41690106  0.34384057
   0.53281655  0.35113393  0.21391457
   0.29975369  0.38014474  0.14665858
   0.20896171  0.11543051  0.44949056
  -0.03620410  0.18987236  0.40990285
  -0.00928993  0.04575876  0.56273768
   0.46079149  0.23089662  0.76373214
   0.10208297  0.30627937  0.54428774
   0.38545000  0.46469664  0.84682644
   0.45634403  0.45677602  0.66999599
   0.20842545  0.37270032  0.70982738
   0.26182772  0.20242127 -0.14202608
   0.01079494  0.15377292  0.92138387
   0.12946691  0.56276291  0.08454336
   0.39196687  0.66754413  0.27080534
   0.12726419  0.82929115  0.03099810
   0.32765236  0.93422821  0.33830806
   0.41611474  0.88889984  0.16697080
   0.17359255  0.81763982  0.21576446
   0.32979834  0.64346897  0.45427260
   0.05814684  0.58117152  0.41760317
   0.18124490  0.56722573  0.59046161
   0.33678056  0.70293016  0.76939814
   0.10741568  0.80982124  0.50519112
   0.39917651  0.98378656  0.78665955
   0.45419915  0.88072775  0.62550628
   0.18776330  0.91473114  0.67362184
   0.29609258  0.69109789 -0.04733290
   0.05148453  0.61237895  0.90984773
   0.61851833  0.04523081  0.10270538
   0.84755308  0.19294986  0.24665202
   0.61819182  0.29933043  0.02627391
   0.84987065  0.45361176  0.35243627
   0.03203508  0.34223657  0.17188273
   0.77702981  0.41408129  0.14927841
   0.71090221  0.15540318  0.41973116
   0.45395818  0.13447382  0.43788955
   0.61846090  0.08557349  0.59460052
   0.83288835  0.21249238  0.77284256
   0.59400283  0.32759874  0.53187235
   0.86054461  0.44174452  0.85055393
   0.96983711  0.47251150  0.67124431
   0.71757651  0.42958832  0.69278600
   0.74108519  0.08771438  0.92687169
   0.48201793  0.10534214  0.94771581
   0.57235433  0.54421595  0.07426288
   0.89957597  0.71480689  0.29771618
   0.59891027  0.80877039  0.04136226
   0.87928752  0.97004646  0.34059427
   0.92041985  0.87931591  0.16514867
   0.67852178  0.82981669  0.22942831
   0.81090912  0.64038503  0.47404782
   0.55927358  0.57139107  0.40932116
   0.60056457  0.60094807  0.57804860
   0.82141738  0.69144143  0.79324120
   0.59992661  0.81455307  0.44838632
   0.91051802  0.95898814  0.82272407
   0.92388429  0.83950619  0.65760105
   0.67320478  0.89941173  0.74564704
   0.79067344  0.64753396  0.97555380
   0.54263115  0.67067849  0.89919373
   0.70727230  0.85363399  0.57423053
   0.51547496  0.84496508  0.42315282
   0.87210193  0.18580898  0.07474832
   0.90957105  0.37462919  0.34711877
   0.31363493  0.11740165  0.64557219
   0.26991600  0.67580564  0.71868720
   0.19922965  1.09126260  0.16490269
   0.19629546  1.05406432 -0.00078862
   0.62950950  0.36463788  0.86259292
   0.87698355  0.48027829  0.64589805
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856091    0.129529   -0.030718
    -0.000000    9.870003   -0.000410
    -0.000000    0.000000   13.960951
   Si   O    H 
    32    64    10
Direct configuration=  1923
   0.16702447  0.17526428 -0.04965502
   0.32707671  0.09742480  0.37264499
   0.14396055  0.40064676  0.10177655
   0.37498469  0.33519350  0.24801817
   0.06072442  0.16487798  0.49362232
   0.40689779  0.12396844  0.84265508
   0.11005482  0.42667296  0.62552188
   0.36493742  0.37055688  0.75067070
   0.14817437  0.67162906 -0.00318238
   0.40693225  0.56338414  0.36885895
   0.08105713  0.90075354  0.13719374
   0.33647541  0.82180894  0.25379237
   0.16428051  0.65458507  0.48722050
   0.39073728  0.63128623  0.86810226
   0.04658957  0.89859257  0.59889590
   0.34216537  0.98164633  0.68119357
   0.62012875  0.13664306  1.00471110
   0.84157523  0.12852736  0.35123981
   0.61555846  0.39941793  0.12079644
   0.87915485  0.28259730  0.15268662
   0.59479859  0.17348108  0.49782829
   0.88499404  0.10626088  0.86121660
   0.59284358  0.44552330  0.61701285
   0.74762190  0.35440683  0.80153040
   0.62832462  0.66387074 -0.00088840
   0.90605338  0.59593064  0.37611265
   0.58616486  0.89028104  0.13721129
   0.84254558  0.85496062  0.26574720
   0.64904250  0.66966736  0.48155367
   0.88156756  0.59799662  0.88722782
   0.61419006  0.92576356  0.63811351
   0.83221799  0.84835421  0.75818036
   0.11397807  0.06086013  0.14358499
   0.32148431  0.17445438  0.27222074
   0.15212957  0.32154433  0.00463248
   0.34296115  0.41801605  0.34403346
   0.53348851  0.35050183  0.21407054
   0.30251072  0.37877051  0.14767258
   0.20862531  0.11738819  0.44944538
  -0.03663508  0.19047483  0.41078773
  -0.00607810  0.04712227  0.56156169
   0.46002992  0.22987582  0.76361669
   0.10171440  0.30682514  0.54447287
   0.38623377  0.46243069  0.84773433
   0.45560642  0.45895671  0.67074336
   0.20905353  0.37172749  0.71189566
   0.26145168  0.20266348 -0.14142069
   0.01217061  0.15247194  0.92155882
   0.12906760  0.56160585  0.08474450
   0.39084163  0.66845109  0.27150227
   0.12818525  0.82881047  0.03053069
   0.32756092  0.93267926  0.33909187
   0.41630218  0.88793708  0.16626713
   0.17390894  0.81760833  0.21609819
   0.33046676  0.64425314  0.45470245
   0.05770155  0.58247008  0.41667437
   0.18113182  0.56864156  0.59055961
   0.33650702  0.70323527  0.76876841
   0.10805918  0.81063004  0.50466681
   0.39943971  0.98291838  0.78702746
   0.45432513  0.87997833  0.62623633
   0.18653579  0.91462145  0.67478113
   0.29505685  0.69094667 -0.04764176
   0.05245411  0.61162263  0.91075174
   0.61944141  0.04429247  0.10365145
   0.84905933  0.19317825  0.24760004
   0.61831384  0.29743763  0.02546490
   0.84922825  0.45475310  0.35137036
   0.03099016  0.34186781  0.17193911
   0.77644474  0.41517071  0.14937324
   0.71028217  0.15672204  0.42090892
   0.45433116  0.13405460  0.43717077
   0.61866923  0.08494606  0.59367890
   0.83347435  0.21309135  0.77311273
   0.59716037  0.32716095  0.53284927
   0.86075605  0.44289667  0.85120769
   0.97062852  0.47323949  0.67147519
   0.71569265  0.42869682  0.69265370
   0.73994105  0.08724568  0.92727271
   0.48153576  0.10367804  0.94756405
   0.57192629  0.54310600  0.07470621
   0.89955693  0.71535696  0.29635648
   0.60026951  0.80842261  0.04100217
   0.88146213  0.96945855  0.33997876
   0.92011201  0.88117441  0.16430919
   0.67836365  0.83042644  0.22735031
   0.81033248  0.64196012  0.47376513
   0.56193931  0.57044184  0.40810886
   0.60128925  0.60192637  0.57765702
   0.82195339  0.69206783  0.79212093
   0.60026406  0.81399965  0.44776558
   0.91187234  0.95930531  0.82270913
   0.92415588  0.83842971  0.65694228
   0.67319022  0.89954349  0.74517629
   0.79109576  0.64721865  0.97587858
   0.54338920  0.67111804  0.89995760
   0.70858507  0.84720855  0.57446202
   0.50849438  0.84571119  0.41499114
   0.87419196  0.18984001  0.07552938
   0.91463340  0.37143882  0.35178284
   0.30950645  0.11780392  0.64458895
   0.26846091  0.67970906  0.72482740
   0.20038257  1.09125419  0.16407771
   0.20163578  1.05364087  0.00486961
   0.63585433  0.36271110  0.86103078
   0.87761922  0.47590573  0.64701904
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854612    0.134991   -0.026898
    -0.000000    9.871425   -0.001553
    -0.000000    0.000000   13.961119
   Si   O    H 
    32    64    10
Direct configuration=  1924
   0.16648268  0.17475758 -0.04927348
   0.32691745  0.09714875  0.37305783
   0.14382130  0.40162710  0.10133360
   0.37475840  0.33513102  0.24795254
   0.06165065  0.16592065  0.49447091
   0.40695603  0.12361343  0.84312552
   0.11095592  0.42614499  0.62509117
   0.36528561  0.36847724  0.75114124
   0.14792462  0.67246863 -0.00244686
   0.40688096  0.56419118  0.36963584
   0.08138167  0.89960659  0.13746101
   0.33642644  0.82423123  0.25334346
   0.16357323  0.65513910  0.48756955
   0.38980033  0.63280292  0.86812991
   0.04659792  0.89945684  0.59867564
   0.34157595  0.98270664  0.68093724
   0.62013326  0.13670492  1.00506791
   0.84094629  0.12807166  0.35133372
   0.61524962  0.40009358  0.12115021
   0.87905783  0.28319320  0.15244373
   0.59480127  0.17303845  0.49727218
   0.88425627  0.10487879  0.86117375
   0.59255539  0.44347018  0.61680756
   0.74630979  0.35342319  0.80147589
   0.62889808  0.66458338 -0.00050984
   0.90694981  0.59661650  0.37659152
   0.58555833  0.89036659  0.13771209
   0.84406913  0.85617442  0.26447791
   0.64888374  0.66792203  0.48089506
   0.88087406  0.59701582  0.88817797
   0.61510568  0.92533039  0.63718965
   0.83217402  0.84742632  0.75812312
   0.11259159  0.06069075  0.14403666
   0.32390921  0.17695542  0.27179555
   0.15002543  0.32237260  0.00301307
   0.34069048  0.41955221  0.34438607
   0.53404137  0.35023041  0.21426388
   0.30492427  0.37765984  0.14895717
   0.20767527  0.11927038  0.44969435
  -0.03688742  0.19056542  0.41071699
  -0.00252203  0.04922334  0.56050178
   0.45903381  0.22935145  0.76310297
   0.10104116  0.30702982  0.54525012
   0.38754938  0.46131519  0.84858801
   0.45426690  0.46068175  0.67153599
   0.20961460  0.36954863  0.71353950
   0.26135114  0.20269773 -0.14090075
   0.01295518  0.15131501  0.92149111
   0.12874031  0.55980242  0.08505387
   0.38972480  0.66905646  0.27271799
   0.12805752  0.82885046  0.03050879
   0.32871878  0.93203919  0.34024635
   0.41775919  0.88716332  0.16506479
   0.17445825  0.81769600  0.21647043
   0.33015692  0.64498026  0.45479604
   0.05793898  0.58340188  0.41619198
   0.18118929  0.56987699  0.59072128
   0.33606077  0.70451033  0.76867281
   0.10926528  0.81119782  0.50484266
   0.40033251  0.98176289  0.78749885
   0.45460025  0.88012564  0.62726095
   0.18548595  0.91487604  0.67617141
   0.29430428  0.69004545 -0.04763615
   0.05264551  0.61072239  0.91166655
   0.62021628  0.04459008  0.10455463
   0.85047088  0.19356449  0.24857821
   0.61792463  0.29575234  0.02495977
   0.84863259  0.45494640  0.35007124
   0.03033543  0.34174252  0.17212467
   0.77546885  0.41627679  0.14954729
   0.70991951  0.15768774  0.42130544
   0.45496046  0.13352527  0.43657197
   0.61852175  0.08431854  0.59335344
   0.83327807  0.21404952  0.77388750
   0.59986092  0.32744778  0.53398277
   0.86120108  0.44421422  0.85256268
   0.97122948  0.47402776  0.67158213
   0.71375175  0.42723694  0.69330357
   0.73911295  0.08762666  0.92752300
   0.48070786  0.10261520  0.94744229
   0.57165931  0.54212492  0.07506792
   0.89907804  0.71540073  0.29536038
   0.60180559  0.80896070  0.04047417
   0.88309127  0.96876730  0.33955898
   0.91999550  0.88278148  0.16306814
   0.67808240  0.83055354  0.22595675
   0.80945728  0.64291245  0.47279558
   0.56451319  0.56924466  0.40737399
   0.60131793  0.60284320  0.57802148
   0.82196032  0.69194163  0.79125141
   0.59903317  0.81367284  0.44641067
   0.91305413  0.95866670  0.82274103
   0.92485243  0.83765005  0.65607891
   0.67271442  0.90063559  0.74397379
   0.79166065  0.64679017  0.97665642
   0.54361928  0.67111787  0.90059742
   0.70960091  0.84056691  0.57685487
   0.51197764  0.84153892  0.41382226
   0.87358098  0.19199035  0.07534590
   0.91366384  0.37752930  0.35581121
   0.30827984  0.12100599  0.64276695
   0.26479026  0.67923913  0.72868913
   0.20762740  1.08830352  0.16349181
   0.20882830  1.05081976  0.00714327
   0.63502595  0.35872406  0.86192677
   0.88217294  0.47039825  0.64847770
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853314    0.140937   -0.023192
    -0.000000    9.872544   -0.002359
    -0.000000    0.000000   13.961243
   Si   O    H 
    32    64    10
Direct configuration=  1925
   0.16579547  0.17429217 -0.04902594
   0.32639998  0.09645806  0.37365852
   0.14414366  0.40265085  0.10155405
   0.37491184  0.33499171  0.24729008
   0.06267992  0.16681646  0.49548663
   0.40687156  0.12331926  0.84384301
   0.11194316  0.42581686  0.62480630
   0.36648294  0.36692774  0.75165247
   0.14750853  0.67274103 -0.00175888
   0.40736754  0.56581196  0.37062222
   0.08132525  0.89828426  0.13728598
   0.33624272  0.82674644  0.25329974
   0.16317217  0.65556154  0.48756166
   0.38864757  0.63418048  0.86779133
   0.04689438  0.90043398  0.59900828
   0.34042624  0.98314797  0.68039020
   0.62040145  0.13609996  1.00518321
   0.84093398  0.12784425  0.35166102
   0.61534516  0.40017320  0.12127877
   0.87879747  0.28380120  0.15213234
   0.59447112  0.17263457  0.49670176
   0.88360669  0.10409885  0.86134646
   0.59263438  0.44152854  0.61672190
   0.74548357  0.35194020  0.80112155
   0.62944457  0.66557763 -0.00008585
   0.90725265  0.59761648  0.37752931
   0.58572387  0.89079525  0.13856948
   0.84510317  0.85732405  0.26300524
   0.64833355  0.66643334  0.48013276
   0.88063687  0.59618421  0.88857644
   0.61630160  0.92525061  0.63597716
   0.83178544  0.84686760  0.75762868
   0.11138092  0.06075761  0.14443396
   0.32662102  0.17938868  0.27138398
   0.14713510  0.32351371  0.00169580
   0.33889153  0.42075853  0.34459470
   0.53406605  0.34981280  0.21450704
   0.30650776  0.37688401  0.15034309
   0.20655390  0.12141856  0.44945388
  -0.03673149  0.19126404  0.41064100
   0.00038936  0.05183813  0.55985353
   0.45746257  0.22850241  0.76202483
   0.10020834  0.30706968  0.54615925
   0.38838119  0.46027951  0.84972422
   0.45203296  0.46159316  0.67270131
   0.21032140  0.36669564  0.71546184
   0.26159295  0.20340088 -0.14083586
   0.01331961  0.15028784  0.92177170
   0.12833483  0.55868935  0.08531653
   0.38911043  0.67029541  0.27376813
   0.12833975  0.82876975  0.03060319
   0.32954386  0.93163015  0.34174034
   0.41876689  0.88675997  0.16337517
   0.17432537  0.81771820  0.21681110
   0.32993087  0.64535225  0.45494722
   0.05867259  0.58358646  0.41577100
   0.18081377  0.57080204  0.59110640
   0.33619641  0.70570617  0.76852376
   0.11015344  0.81238541  0.50549273
   0.40074274  0.98051660  0.78830908
   0.45513535  0.88092793  0.62798191
   0.18381800  0.91466662  0.67708577
   0.29405778  0.68895563 -0.04812693
   0.05182984  0.61033810  0.91260656
   0.62053763  0.04532101  0.10548566
   0.85140607  0.19432279  0.24858236
   0.61741632  0.29444465  0.02522868
   0.84756052  0.45433936  0.34891209
   0.02983777  0.34061732  0.17245598
   0.77449937  0.41691406  0.14898244
   0.71059522  0.15765901  0.42193364
   0.45637024  0.13242062  0.43633801
   0.61805285  0.08345061  0.59275888
   0.83322954  0.21409042  0.77478789
   0.60195526  0.32799788  0.53506063
   0.86113753  0.44578914  0.85373506
   0.97224942  0.47558102  0.67178130
   0.71211323  0.42610165  0.69481410
   0.73884064  0.08843054  0.92851253
   0.47976970  0.10118020  0.94694002
   0.57108582  0.54265300  0.07549338
   0.89888280  0.71523683  0.29533415
   0.60322386  0.80964704  0.04070099
   0.88383457  0.96843691  0.33872294
   0.91996379  0.88493379  0.16189314
   0.67848777  0.82993623  0.22457710
   0.80881924  0.64519561  0.47176174
   0.56647056  0.56779200  0.40619704
   0.60203376  0.60313400  0.57806208
   0.82264609  0.69123846  0.79093192
   0.59794633  0.81390615  0.44523657
   0.91392307  0.95823894  0.82248432
   0.92498304  0.83793335  0.65567918
   0.67305726  0.90108569  0.74323534
   0.79255014  0.64765616  0.97711065
   0.54421900  0.67058243  0.90110376
   0.70931063  0.83273292  0.58009298
   0.52213138  0.83621692  0.41689822
   0.87263777  0.19282694  0.07213270
   0.91290275  0.38695119  0.35989255
   0.30952835  0.12066394  0.64109534
   0.25906559  0.67175890  0.72760549
   0.20581145  1.08333920  0.16547071
   0.21231199  1.05337306  0.00728025
   0.62795466  0.35447424  0.86424745
   0.87812025  0.46443766  0.64780927
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852543    0.146752   -0.019757
    -0.000000    9.874039   -0.003020
    -0.000000    0.000000   13.961505
   Si   O    H 
    32    64    10
Direct configuration=  1926
   0.16594446  0.17489334 -0.04827419
   0.32570133  0.09584131  0.37387621
   0.14486279  0.40304427  0.10126020
   0.37550999  0.33553483  0.24695381
   0.06411914  0.16751183  0.49663751
   0.40672076  0.12266928  0.84466781
   0.11273972  0.42564670  0.62501161
   0.36708739  0.36587830  0.75191821
   0.14711196  0.67291133 -0.00128457
   0.40752161  0.56795149  0.37174209
   0.08134750  0.89689328  0.13757215
   0.33543529  0.82913179  0.25336977
   0.16355430  0.65625133  0.48758752
   0.38822195  0.63493740  0.86748981
   0.04840512  0.90136779  0.59975227
   0.33921338  0.98253719  0.67938641
   0.62115952  0.13484483  1.00524577
   0.84125374  0.12741659  0.35213140
   0.61540497  0.39989449  0.12083671
   0.87871658  0.28464126  0.15173308
   0.59408656  0.17156218  0.49630593
   0.88246066  0.10366688  0.86144986
   0.59280579  0.44053658  0.61676674
   0.74464029  0.35084980  0.80057406
   0.62918803  0.66632774  0.00023755
   0.90688272  0.59893578  0.37842265
   0.58594465  0.89084754  0.13940004
   0.84570902  0.85875284  0.26151649
   0.64773286  0.66546952  0.47923524
   0.88014865  0.59538504  0.88846923
   0.61747392  0.92557589  0.63473161
   0.83138144  0.84582488  0.75732157
   0.11075178  0.06139013  0.14489810
   0.32865814  0.18127767  0.27116148
   0.14435739  0.32430115  0.00109867
   0.33772943  0.42197212  0.34429448
   0.53371016  0.34940183  0.21481759
   0.30732692  0.37647577  0.15123319
   0.20593592  0.12284461  0.44880075
  -0.03714660  0.19177495  0.41048832
   0.00377663  0.05431997  0.55938651
   0.45689450  0.22817515  0.76065121
   0.09975197  0.30764583  0.54704541
   0.38908890  0.45929322  0.85097247
   0.44915303  0.46192608  0.67409601
   0.21082049  0.36420430  0.71678413
   0.26210212  0.20464937 -0.14129478
   0.01367799  0.14900330  0.92213024
   0.12783562  0.55851324  0.08524825
   0.38875552  0.67142838  0.27531598
   0.12832925  0.82872364  0.03088730
   0.33016584  0.93035446  0.34272660
   0.42002696  0.88571059  0.16194829
   0.17435361  0.81819336  0.21718315
   0.32929794  0.64644969  0.45496850
   0.05957465  0.58364810  0.41550750
   0.18004137  0.57145980  0.59128186
   0.33582428  0.70680041  0.76876073
   0.11050943  0.81331659  0.50617438
   0.40211412  0.97927299  0.78946046
   0.45568058  0.88151173  0.62846164
   0.18247527  0.91466030  0.67767700
   0.29450036  0.68714566 -0.04841901
   0.05005450  0.60998172  0.91349229
   0.62121750  0.04589201  0.10685191
   0.85141785  0.19447834  0.24880459
   0.61666071  0.29392508  0.02617217
   0.84675153  0.45379618  0.34821573
   0.02947513  0.34007435  0.17269535
   0.77409767  0.41725939  0.14919988
   0.71153571  0.15813165  0.42215321
   0.45760608  0.13209633  0.43638318
   0.61785358  0.08288945  0.59284946
   0.83322481  0.21464327  0.77573219
   0.60356241  0.32912973  0.53580803
   0.86150778  0.44741882  0.85529822
   0.97273673  0.47717592  0.67157067
   0.71111933  0.42505489  0.69599685
   0.73884573  0.08949046  0.92987915
   0.47867497  0.09964656  0.94686767
   0.57053082  0.54323257  0.07589898
   0.89932908  0.71443251  0.29582788
   0.60477424  0.81041792  0.04106447
   0.88450396  0.96895753  0.33797329
   0.92031692  0.88737897  0.16086784
   0.68008408  0.82953946  0.22298180
   0.80783638  0.64741403  0.47019169
   0.56727292  0.56542470  0.40534189
   0.60241214  0.60212277  0.57841386
   0.82300046  0.69000596  0.79094723
   0.59803528  0.81394152  0.44535418
   0.91492102  0.95748481  0.82244866
   0.92445618  0.83856631  0.65552449
   0.67348788  0.90230051  0.74283334
   0.79213891  0.64852603  0.97751102
   0.54402448  0.66957413  0.90130500
   0.70647235  0.83004108  0.58485697
   0.50971339  0.83495381  0.41187441
   0.87360250  0.19748646  0.06895280
   0.91909316  0.38940662  0.36434110
   0.31227252  0.11609982  0.63954445
   0.25739558  0.66648525  0.72889853
   0.19922207  1.07851697  0.16555255
   0.21344524  1.06031263  0.00305950
   0.61853587  0.34946184  0.86569683
   0.87743993  0.45792926  0.64979271
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851243    0.153121   -0.016504
    -0.000000    9.875028   -0.003757
    -0.000000    0.000000   13.961579
   Si   O    H 
    32    64    10
Direct configuration=  1927
   0.16603434  0.17546780 -0.04764453
   0.32523152  0.09560930  0.37396218
   0.14603866  0.40327369  0.10078606
   0.37665069  0.33670267  0.24699503
   0.06562590  0.16847510  0.49749080
   0.40675961  0.12245957  0.84573844
   0.11385904  0.42533610  0.62545836
   0.36736650  0.36605060  0.75192258
   0.14703993  0.67350119 -0.00106062
   0.40760451  0.56980285  0.37272084
   0.08133322  0.89559352  0.13779250
   0.33489026  0.83119770  0.25326058
   0.16425035  0.65635393  0.48818614
   0.38858312  0.63461871  0.86713396
   0.05082738  0.90253255  0.60027458
   0.33764975  0.98179464  0.67827113
   0.62183956  0.13338489  1.00517884
   0.84182355  0.12723677  0.35278052
   0.61573483  0.39975948  0.12041424
   0.87892626  0.28535906  0.15171848
   0.59372685  0.17077957  0.49611483
   0.88103646  0.10402679  0.86142979
   0.59323261  0.44066141  0.61683230
   0.74422758  0.34981791  0.80030348
   0.62888625  0.66603487  0.00046761
   0.90651726  0.59986499  0.37905079
   0.58592705  0.89087344  0.14001141
   0.84655089  0.85957737  0.26068998
   0.64705056  0.66444223  0.47821854
   0.87990610  0.59459300  0.88832963
   0.61834288  0.92549165  0.63365056
   0.83044975  0.84477201  0.75688783
   0.10932816  0.06140717  0.14549713
   0.32994125  0.18278838  0.27118154
   0.14203040  0.32539818  0.00069867
   0.33621072  0.42292044  0.34425710
   0.53315361  0.34866154  0.21542273
   0.30704841  0.37667766  0.15191678
   0.20536797  0.12402421  0.44814303
  -0.03747456  0.19300863  0.41065324
   0.00666085  0.05608507  0.55932456
   0.45686547  0.22757662  0.75960346
   0.09949509  0.30830640  0.54789402
   0.38957969  0.45827796  0.85171818
   0.44642302  0.46176738  0.67520803
   0.21094369  0.36272167  0.71784697
   0.26245116  0.20556517 -0.14211508
   0.01303348  0.14776281  0.92200362
   0.12731339  0.55910445  0.08462597
   0.38826169  0.67271481  0.27608482
   0.12841202  0.82874556  0.03194669
   0.33067755  0.92994650  0.34431039
   0.42146949  0.88457428  0.16040547
   0.17413712  0.81776333  0.21786680
   0.32733722  0.64782270  0.45532838
   0.06024627  0.58254518  0.41504141
   0.17904879  0.57137041  0.59112480
   0.33482972  0.70777054  0.76848701
   0.11064303  0.81461797  0.50723429
   0.40228376  0.97827438  0.79065026
   0.45646615  0.88218811  0.62846947
   0.18071982  0.91448407  0.67777951
   0.29478458  0.68604481 -0.04830811
   0.04798406  0.61022676  0.91449955
   0.62144666  0.04645971  0.10850056
   0.85009030  0.19406481  0.24917868
   0.61621398  0.29327745  0.02764402
   0.84644832  0.45299171  0.34765129
   0.03042157  0.33974505  0.17344791
   0.77421371  0.41821656  0.14949361
   0.71274662  0.15808216  0.42189817
   0.45848387  0.13143544  0.43631914
   0.61709561  0.08225070  0.59266361
   0.83396634  0.21535102  0.77661151
   0.60509769  0.32976436  0.53638451
   0.86192533  0.44751662  0.85656142
   0.97260950  0.47805505  0.67118248
   0.71124741  0.42330790  0.69742367
   0.73896090  0.09090957  0.93099878
   0.47802411  0.09808724  0.94700806
   0.56960349  0.54433135  0.07624223
   0.90037856  0.71349802  0.29649858
   0.60634973  0.81100837  0.04097075
   0.88495933  0.96922160  0.33756977
   0.92072019  0.88998408  0.15994181
   0.68159603  0.82949349  0.22153795
   0.80667177  0.64894970  0.46871028
   0.56775233  0.56326967  0.40396868
   0.60315527  0.60108080  0.57910961
   0.82344261  0.68851133  0.79116467
   0.59749365  0.81416987  0.44579666
   0.91443422  0.95647827  0.82262681
   0.92327917  0.83924193  0.65529958
   0.67419713  0.90358633  0.74276047
   0.79248762  0.64940948  0.97707736
   0.54455781  0.66814109  0.90152646
   0.70420408  0.83368734  0.58797602
   0.50300156  0.83080056  0.41050125
   0.87281328  0.19897258  0.06530844
   0.92589016  0.38863600  0.36738500
   0.31545432  0.11307349  0.63763668
   0.26244028  0.66071406  0.73278918
   0.20377494  1.07981819  0.16820238
   0.21695757  1.06391701  0.00084797
   0.61367464  0.34507714  0.86399852
   0.88316671  0.45255984  0.65400042
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850381    0.159751   -0.013753
    -0.000000    9.875498   -0.004243
    -0.000000    0.000000   13.961574
   Si   O    H 
    32    64    10
Direct configuration=  1928
   0.16564777  0.17609701 -0.04723534
   0.32523835  0.09494344  0.37368347
   0.14787332  0.40325050  0.10050362
   0.37753962  0.33651383  0.24765114
   0.06702678  0.16970763  0.49832334
   0.40655640  0.12194331  0.84679560
   0.11533068  0.42516015  0.62600461
   0.36773096  0.36656183  0.75194122
   0.14674817  0.67420219 -0.00109628
   0.40749849  0.57134914  0.37378792
   0.08132001  0.89401178  0.13812916
   0.33406384  0.83204736  0.25299785
   0.16546844  0.65679994  0.48890250
   0.38981898  0.63451063  0.86657020
   0.05307475  0.90369722  0.60083158
   0.33629236  0.98113615  0.67741140
   0.62260173  0.13214747  1.00500466
   0.84224116  0.12629467  0.35346087
   0.61698307  0.40013887  0.11991384
   0.87902414  0.28602290  0.15158137
   0.59291076  0.17072768  0.49577410
   0.88007343  0.10457435  0.86172120
   0.59318746  0.44120593  0.61697546
   0.74357258  0.34887563  0.80056023
   0.62872732  0.66495843  0.00058770
   0.90539318  0.60026617  0.37937238
   0.58566624  0.89148645  0.13983747
   0.84738106  0.85974622  0.25960363
   0.64612842  0.66315624  0.47755105
   0.88016400  0.59396086  0.88839070
   0.61875515  0.92532367  0.63274251
   0.82971145  0.84285945  0.75644921
   0.10823233  0.06171468  0.14670226
   0.33164300  0.18427023  0.27144950
   0.14019712  0.32626228  0.00033479
   0.33527136  0.42447531  0.34420563
   0.53313692  0.34756109  0.21537055
   0.30500754  0.37684962  0.15196576
   0.20457343  0.12565919  0.44712162
  -0.03717911  0.19507536  0.41099924
   0.00806572  0.05685812  0.55959903
   0.45775857  0.22725124  0.75870512
   0.09992712  0.30863805  0.54858553
   0.38881243  0.45741743  0.85251789
   0.44390548  0.46147868  0.67604915
   0.21083808  0.36113821  0.71878205
   0.26278583  0.20579228 -0.14261375
   0.01289082  0.14658075  0.92233046
   0.12692812  0.56052708  0.08417610
   0.38785669  0.67467771  0.27680964
   0.12821183  0.82880540  0.03262710
   0.33099765  0.92996783  0.34627483
   0.42292500  0.88308359  0.15924258
   0.17438598  0.81697613  0.21874716
   0.32447833  0.64970089  0.45520834
   0.06038101  0.58196561  0.41481758
   0.17880679  0.57102324  0.59075726
   0.33381521  0.70809782  0.76831782
   0.11034433  0.81504080  0.50848044
   0.40231759  0.97745641  0.79202932
   0.45758449  0.88338673  0.62837533
   0.17862257  0.91401734  0.67749477
   0.29519812  0.68527649 -0.04754491
   0.04580660  0.61029365  0.91564414
   0.62159125  0.04728561  0.10954513
   0.84961473  0.19379732  0.24997193
   0.61654848  0.29280129  0.02907464
   0.84631239  0.45098180  0.34677385
   0.03169546  0.34004449  0.17400920
   0.77412157  0.41889328  0.14982341
   0.71452463  0.15833118  0.42131343
   0.45956403  0.13144735  0.43705950
   0.61646570  0.08186052  0.59253431
   0.83537543  0.21665643  0.77748134
   0.60683996  0.33038435  0.53674634
   0.86153799  0.44643700  0.85753215
   0.97230435  0.47917722  0.67096514
   0.71069727  0.42142649  0.69841627
   0.73968405  0.09276753  0.93249793
   0.47792906  0.09691226  0.94737008
   0.56904138  0.54631263  0.07663891
   0.90112761  0.71278593  0.29702074
   0.60775708  0.81284152  0.04076768
   0.88490910  0.96892225  0.33768153
   0.92107576  0.89251204  0.15880365
   0.68314951  0.82953920  0.22012037
   0.80655805  0.65045271  0.46749996
   0.56795597  0.56151475  0.40257791
   0.60357054  0.59990876  0.58006948
   0.82410817  0.68695754  0.79190481
   0.59651114  0.81505153  0.44555386
   0.91434168  0.95482960  0.82217859
   0.92154369  0.83974362  0.65534002
   0.67442287  0.90505203  0.74306651
   0.79273745  0.64939527  0.97709085
   0.54603398  0.66610060  0.90176770
   0.70757523  0.83462004  0.58835845
   0.51020278  0.82578788  0.41329562
   0.87168983  0.20345747  0.06272206
   0.92506882  0.39288902  0.36769937
   0.31764035  0.11219215  0.63534227
   0.27181772  0.65692546  0.73627562
   0.20630534  1.08454679  0.16983380
   0.22693673  1.06432255 -0.00041582
   0.61529964  0.34048877  0.85842600
   0.88465135  0.44637297  0.66076235
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.849165    0.166812   -0.011286
    -0.000000    9.876067   -0.004686
    -0.000000    0.000000   13.961230
   Si   O    H 
    32    64    10
Direct configuration=  1929
   0.16557287  0.17667653 -0.04725053
   0.32517520  0.09381188  0.37360036
   0.14997141  0.40301115  0.10070417
   0.37857939  0.33621752  0.24836274
   0.06814583  0.17122307  0.49873501
   0.40659816  0.12132160  0.84732848
   0.11689470  0.42513131  0.62655134
   0.36854481  0.36754953  0.75221082
   0.14699952  0.67479797 -0.00127572
   0.40681966  0.57270701  0.37494259
   0.08158672  0.89303568  0.13843377
   0.33320141  0.83231907  0.25273217
   0.16652669  0.65752152  0.48981081
   0.39132775  0.63428332  0.86623415
   0.05511626  0.90483004  0.60129609
   0.33502574  0.97998939  0.67668131
   0.62264257  0.13098225  1.00443535
   0.84261780  0.12648089  0.35379542
   0.61836593  0.40047809  0.11941037
   0.87907887  0.28693518  0.15144594
   0.59221743  0.17046218  0.49550091
   0.87920092  0.10504376  0.86158868
   0.59273077  0.44177662  0.61736508
   0.74314290  0.34793636  0.80108631
   0.62813219  0.66412751  0.00079833
   0.90410830  0.60118240  0.37970962
   0.58508142  0.89290585  0.13944616
   0.84829253  0.85963368  0.25876977
   0.64444875  0.66177538  0.47716098
   0.88079485  0.59390425  0.88848042
   0.61906121  0.92503974  0.63179953
   0.82934596  0.84040689  0.75625411
   0.10838697  0.06198065  0.14804928
   0.33249350  0.18493029  0.27236023
   0.13813234  0.32721396  0.00068300
   0.33423676  0.42538087  0.34431894
   0.53372010  0.34756976  0.21553989
   0.30262169  0.37708441  0.15148310
   0.20489162  0.12618808  0.44618125
  -0.03751172  0.19760473  0.41145532
   0.00986316  0.05592465  0.56036687
   0.45861895  0.22719384  0.75793308
   0.10044913  0.30829826  0.54941400
   0.38833307  0.45824440  0.85373749
   0.44148028  0.46092963  0.67638396
   0.21021917  0.36038652  0.71905422
   0.26296749  0.20524191 -0.14308770
   0.01227077  0.14589368  0.92209585
   0.12654795  0.56204164  0.08334442
   0.38769196  0.67716370  0.27758157
   0.12687828  0.82930895  0.03393623
   0.33127833  0.92982966  0.34772700
   0.42425370  0.88091036  0.15839819
   0.17492484  0.81596501  0.21912383
   0.32194816  0.65094765  0.45530245
   0.06192896  0.58090880  0.41463041
   0.17867345  0.57093334  0.58987178
   0.33271909  0.70813798  0.76849017
   0.10985005  0.81553470  0.50968049
   0.40245814  0.97668116  0.79263400
   0.45934656  0.88439985  0.62815273
   0.17629719  0.91357680  0.67737093
   0.29526309  0.68449367 -0.04720333
   0.04315141  0.61142443  0.91707763
   0.62233767  0.04749362  0.11000934
   0.84904230  0.19319059  0.25046345
   0.61660045  0.29295385  0.03087138
   0.84651361  0.44920120  0.34540448
   0.03308751  0.34065100  0.17396534
   0.77373000  0.41941328  0.14952605
   0.71659389  0.15749002  0.42109761
   0.46070318  0.13138530  0.43757064
   0.61604349  0.08111345  0.59211837
   0.83596483  0.21687694  0.77841454
   0.60910356  0.32981447  0.53639514
   0.86069890  0.44525961  0.85791196
   0.97323947  0.48007952  0.67089206
   0.70921947  0.42027825  0.69903749
   0.74068200  0.09411838  0.93393543
   0.47846640  0.09628677  0.94797781
   0.56892826  0.54897511  0.07682945
   0.90210033  0.71230454  0.29707078
   0.60871330  0.81436348  0.04036713
   0.88522367  0.96814907  0.33805215
   0.92089107  0.89479977  0.15747771
   0.68479308  0.82951380  0.21933988
   0.80685981  0.65250585  0.46619248
   0.56889041  0.55908925  0.40118225
   0.60375771  0.59915099  0.58131984
   0.82450781  0.68503008  0.79330160
   0.59649030  0.81581693  0.44571035
   0.91465205  0.95246410  0.82199807
   0.92029857  0.84053264  0.65495131
   0.67496526  0.90640335  0.74342909
   0.79338824  0.64891425  0.97765129
   0.54636320  0.66371997  0.90185996
   0.71369455  0.83337451  0.58564251
   0.51416675  0.82040948  0.41615367
   0.87131493  0.20799719  0.06061912
   0.92180454  0.39776890  0.36832363
   0.31972619  0.11621874  0.63232474
   0.27140746  0.64629877  0.73366500
   0.19652926  1.08315692  0.16989919
   0.23816614  1.06248407 -0.00125535
   0.62037196  0.34025796  0.85152421
   0.88171516  0.43685766  0.66533191
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848374    0.172731   -0.008814
    -0.000000    9.876549   -0.005470
    -0.000000    0.000000   13.960446
   Si   O    H 
    32    64    10
Direct configuration=  1930
   0.16492571  0.17657081 -0.04766920
   0.32558832  0.09277065  0.37362379
   0.15251752  0.40301062  0.10104172
   0.37922805  0.33581858  0.24907198
   0.06893142  0.17246523  0.49870501
   0.40692002  0.12110251  0.84710037
   0.11862743  0.42528107  0.62752071
   0.36926331  0.36850131  0.75252966
   0.14705792  0.67561630 -0.00129044
   0.40609454  0.57338974  0.37584076
   0.08183522  0.89253749  0.13866824
   0.33212459  0.83222578  0.25262002
   0.16752375  0.65807510  0.49077081
   0.39364047  0.63381729  0.86582840
   0.05701139  0.90542483  0.60157389
   0.33310201  0.97851974  0.67629716
   0.62190703  0.13040686  1.00377815
   0.84284653  0.12629274  0.35392204
   0.61891981  0.40152002  0.11882420
   0.87905764  0.28816469  0.15114321
   0.59188698  0.17081750  0.49496721
   0.87846135  0.10509181  0.86129088
   0.59204197  0.44200516  0.61745257
   0.74235931  0.34694125  0.80152452
   0.62750458  0.66313028  0.00103242
   0.90243674  0.60226988  0.37994570
   0.58466780  0.89480603  0.13923895
   0.84862875  0.85954122  0.25771567
   0.64308184  0.66021424  0.47661293
   0.88182521  0.59397168  0.88849307
   0.61892890  0.92496259  0.63046503
   0.82890728  0.83859986  0.75631022
   0.10720801  0.06212467  0.14929942
   0.33307070  0.18489865  0.27406817
   0.13627822  0.32826419  0.00063682
   0.33354089  0.42754531  0.34428887
   0.53431071  0.34802384  0.21544595
   0.29991417  0.37755377  0.15131025
   0.20569448  0.12690245  0.44503404
  -0.03761868  0.20061358  0.41175260
   0.01201144  0.05418333  0.56163993
   0.45921651  0.22729027  0.75738905
   0.10006866  0.30796196  0.54953547
   0.38778325  0.45865257  0.85460378
   0.44018092  0.46018021  0.67659179
   0.20889096  0.35937392  0.71817143
   0.26291259  0.20382202 -0.14260433
   0.01094740  0.14506573  0.92177520
   0.12567570  0.56346207  0.08238781
   0.38741226  0.67853570  0.27935353
   0.12522284  0.82889227  0.03543283
   0.33200595  0.93100082  0.34918802
   0.42535146  0.87862295  0.15820867
   0.17557934  0.81500377  0.21918842
   0.31892894  0.65233779  0.45586267
   0.06332404  0.57977629  0.41460449
   0.17875706  0.57063433  0.58836599
   0.33104428  0.70729941  0.76844273
   0.10934006  0.81440030  0.51089968
   0.40195002  0.97594566  0.79278760
   0.46039647  0.88620440  0.62843505
   0.17484236  0.91326615  0.67711659
   0.29563612  0.68373050 -0.04689820
   0.04049151  0.61331056  0.91790445
   0.62322751  0.04809300  0.11018331
   0.84792729  0.19252806  0.25050526
   0.61677037  0.29257675  0.03271968
   0.84653974  0.44745863  0.34284843
   0.03383868  0.34147013  0.17415490
   0.77340710  0.41943945  0.14940871
   0.71850508  0.15674297  0.42098295
   0.46150652  0.13145872  0.43825676
   0.61473288  0.08014054  0.59178601
   0.83707457  0.21633617  0.77964650
   0.61120952  0.32863107  0.53555204
   0.85886729  0.44277289  0.85834700
   0.97428345  0.47996063  0.67085573
   0.70739005  0.41881064  0.69959392
   0.74244486  0.09533633  0.93468521
   0.47921787  0.09563405  0.94876763
   0.56964315  0.55088022  0.07669851
   0.90299241  0.71226864  0.29782668
   0.61025963  0.81534903  0.03985855
   0.88540487  0.96688397  0.33841205
   0.92074504  0.89702558  0.15645857
   0.68619094  0.82985496  0.21912011
   0.80710542  0.65377737  0.46476073
   0.56932630  0.55643353  0.39969463
   0.60353536  0.59753303  0.58239643
   0.82507736  0.68389926  0.79455067
   0.59750011  0.81653813  0.44581609
   0.91448986  0.95039343  0.82135572
   0.91945793  0.84146129  0.65481735
   0.67616951  0.90764605  0.74328276
   0.79412215  0.64878450  0.97773300
   0.54612381  0.66180943  0.90153440
   0.72264816  0.83234723  0.58465065
   0.50145348  0.81835249  0.41179442
   0.87206533  0.21506242  0.05883713
   0.92425731  0.39465490  0.37049113
   0.31831504  0.11501282  0.62864836
   0.27592577  0.63942422  0.72994878
   0.19412058  1.08540317  0.17220080
   0.24601192  1.06528735 -0.00403537
   0.62060647  0.33995300  0.84989985
   0.88362309  0.43008959  0.66945078
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847788    0.178165   -0.006664
    -0.000000    9.877367   -0.006594
    -0.000000    0.000000   13.960069
   Si   O    H 
    32    64    10
Direct configuration=  1931
   0.16465447  0.17624076 -0.04785083
   0.32621216  0.09161079  0.37335146
   0.15408572  0.40320561  0.10182924
   0.38023878  0.33597146  0.24990890
   0.06854871  0.17372541  0.49824048
   0.40745962  0.12115748  0.84694775
   0.12005053  0.42534120  0.62863377
   0.36970878  0.36886380  0.75273013
   0.14676015  0.67630713 -0.00188675
   0.40611327  0.57406694  0.37647142
   0.08231013  0.89236134  0.13879591
   0.33128367  0.83185595  0.25275869
   0.16848806  0.65901573  0.49167420
   0.39616245  0.63262487  0.86513514
   0.05828429  0.90546426  0.60194890
   0.33163841  0.97732066  0.67616199
   0.62069666  0.13062235  1.00353345
   0.84377705  0.12579835  0.35393709
   0.61986582  0.40271115  0.11852244
   0.87882991  0.28892811  0.15071698
   0.59154848  0.17111683  0.49408010
   0.87811450  0.10484497  0.86131942
   0.59081506  0.44208874  0.61766672
   0.74211813  0.34642892  0.80158223
   0.62752741  0.66175270  0.00112968
   0.90113363  0.60367454  0.38007695
   0.58450772  0.89637759  0.13883334
   0.84777715  0.85952585  0.25674631
   0.64237626  0.65878909  0.47583290
   0.88284185  0.59425391  0.88832493
   0.61902688  0.92465253  0.62930432
   0.82908217  0.83700441  0.75650677
   0.10555797  0.06175617  0.15067783
   0.33307362  0.18427454  0.27596986
   0.13506072  0.32865992  0.00081737
   0.33310251  0.42908218  0.34421866
   0.53459408  0.34893311  0.21511337
   0.29772633  0.37744989  0.15140690
   0.20633062  0.12739476  0.44360278
  -0.03754882  0.20362264  0.41215493
   0.01329152  0.05206307  0.56261414
   0.45991040  0.22730935  0.75680178
   0.10020060  0.30892057  0.54976753
   0.38798678  0.45885869  0.85574237
   0.43914951  0.45963114  0.67619255
   0.20720510  0.35897788  0.71758347
   0.26271543  0.20216936 -0.14207694
   0.00925970  0.14433423  0.92117866
   0.12432371  0.56559156  0.08176510
   0.38768695  0.68026526  0.28114250
   0.12452490  0.82915637  0.03756682
   0.33292012  0.93189125  0.35042575
   0.42624721  0.87632093  0.15805326
   0.17603092  0.81338444  0.21867235
   0.31691139  0.65468015  0.45571714
   0.06361548  0.57951785  0.41460356
   0.17889257  0.57022203  0.58658311
   0.32963530  0.70621025  0.76836594
   0.10922194  0.81250825  0.51179751
   0.40062144  0.97613993  0.79254070
   0.46139335  0.88752758  0.62852198
   0.17490300  0.91350420  0.67726954
   0.29662629  0.68287244 -0.04653407
   0.03900054  0.61468497  0.91807903
   0.62478105  0.04924465  0.11004409
   0.84710059  0.19117518  0.25043778
   0.61753689  0.29160442  0.03408779
   0.84630606  0.44640778  0.34070144
   0.03437423  0.34238879  0.17391415
   0.77308902  0.41992157  0.14929317
   0.72109980  0.15632795  0.42060859
   0.46199069  0.13092304  0.43880561
   0.61404863  0.07968922  0.59188754
   0.83814051  0.21567911  0.78031993
   0.61233270  0.32739036  0.53468426
   0.85659458  0.44063341  0.85910050
   0.97468745  0.47916863  0.67076784
   0.70587811  0.41736675  0.70019825
   0.74488610  0.09651553  0.93545480
   0.47980992  0.09449512  0.94917864
   0.56982214  0.55272807  0.07690316
   0.90384543  0.71209298  0.29815117
   0.61210481  0.81713857  0.03887994
   0.88506410  0.96573617  0.33951076
   0.92069040  0.89921587  0.15564874
   0.68760531  0.82982287  0.21920414
   0.80685010  0.65471806  0.46310188
   0.56968487  0.55391599  0.39843906
   0.60392457  0.59664513  0.58285415
   0.82527537  0.68395936  0.79577858
   0.59740302  0.81750552  0.44530720
   0.91387514  0.94818875  0.82054751
   0.91912089  0.84235344  0.65427909
   0.67707453  0.90908667  0.74277306
   0.79380204  0.64951974  0.97773287
   0.54615353  0.65891608  0.90132551
   0.72583203  0.83184194  0.58226183
   0.50387467  0.81763768  0.41006305
   0.87282038  0.21842578  0.05934001
   0.92359775  0.38884847  0.37058621
   0.31486709  0.11024175  0.62781616
   0.28313501  0.64116730  0.72677782
   0.19296661  1.09221740  0.17457436
   0.25278729  1.06818551 -0.00586983
   0.61486244  0.33938268  0.85024488
   0.89176863  0.42742668  0.67206732
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847277    0.183737   -0.004675
    -0.000000    9.878000   -0.007041
    -0.000000    0.000000   13.960024
   Si   O    H 
    32    64    10
Direct configuration=  1932
   0.16464539  0.17588255 -0.04801923
   0.32697462  0.09052056  0.37306866
   0.15523545  0.40371821  0.10245012
   0.38020444  0.33634239  0.25048631
   0.06786779  0.17430280  0.49787722
   0.40779737  0.12134561  0.84676421
   0.12086469  0.42531267  0.62976929
   0.36964257  0.36880975  0.75314232
   0.14667467  0.67690064 -0.00252979
   0.40608449  0.57491762  0.37653533
   0.08257943  0.89262141  0.13939563
   0.33068207  0.83106420  0.25267284
   0.16852907  0.66034639  0.49289488
   0.39807538  0.63114964  0.86423678
   0.05906243  0.90488845  0.60256139
   0.33053851  0.97685435  0.67589711
   0.61885734  0.13116165  1.00336956
   0.84523762  0.12561491  0.35440521
   0.62091710  0.40373320  0.11823225
   0.87907700  0.28975890  0.15038508
   0.59200677  0.17142281  0.49303872
   0.87784017  0.10464025  0.86140909
   0.58973506  0.44195181  0.61785398
   0.74189582  0.34611151  0.80184413
   0.62678812  0.66062253  0.00094979
   0.89999672  0.60435046  0.37990067
   0.58478218  0.89764114  0.13845747
   0.84637771  0.85917559  0.25566857
   0.64243874  0.65733488  0.47491060
   0.88355282  0.59468467  0.88842858
   0.61892402  0.92368215  0.62815392
   0.82912176  0.83585431  0.75707217
   0.10462860  0.06160556  0.15166865
   0.33211830  0.18297411  0.27781888
   0.13414234  0.32930281  0.00109615
   0.33222138  0.43105806  0.34474845
   0.53555569  0.35034844  0.21441073
   0.29629853  0.37770921  0.15179216
   0.20655715  0.12797204  0.44280169
  -0.03708797  0.20555215  0.41249905
   0.01378105  0.05173123  0.56392836
   0.46120486  0.22678457  0.75637303
   0.10024917  0.31019209  0.55014594
   0.38820582  0.45959255  0.85619709
   0.43830840  0.45994559  0.67508763
   0.20563700  0.35881429  0.71663051
   0.26212559  0.20050769 -0.14217652
   0.00818057  0.14317087  0.92073614
   0.12215448  0.56766758  0.08177368
   0.38750522  0.68165477  0.28239513
   0.12435811  0.82986857  0.03954899
   0.33384249  0.93266339  0.35067598
   0.42591971  0.87454111  0.15856673
   0.17695816  0.81213987  0.21790462
   0.31593363  0.65662249  0.45559062
   0.06349040  0.57986657  0.41450591
   0.17906633  0.56964882  0.58549920
   0.32825469  0.70528082  0.76858327
   0.10937242  0.81040806  0.51284309
   0.39850208  0.97574620  0.79224869
   0.46179461  0.88935702  0.62837354
   0.17578994  0.91432576  0.67776345
   0.29728845  0.68226476 -0.04651167
   0.03872333  0.61640341  0.91795948
   0.62624754  0.05149781  0.10906439
   0.84630357  0.18940970  0.24964325
   0.61757304  0.29092110  0.03468688
   0.84625529  0.44535055  0.33865698
   0.03482714  0.34372908  0.17329037
   0.77407300  0.42118341  0.14949726
   0.72342420  0.15618264  0.41999483
   0.46150822  0.12984397  0.43908860
   0.61364558  0.07974572  0.59118013
   0.83902028  0.21392700  0.78066261
   0.61369851  0.32619086  0.53320802
   0.85384443  0.43919610  0.86018075
   0.97494692  0.47831297  0.67021143
   0.70433076  0.41552409  0.70123284
   0.74723154  0.09756107  0.93620241
   0.47992078  0.09422036  0.94922510
   0.56964385  0.55459572  0.07711754
   0.90446551  0.71264092  0.29851853
   0.61373688  0.81805883  0.03812957
   0.88484793  0.96433234  0.34058300
   0.92033450  0.90143189  0.15482783
   0.68943366  0.83049320  0.22004922
   0.80726878  0.65614632  0.46200074
   0.57054730  0.55134243  0.39693553
   0.60397352  0.59652019  0.58273777
   0.82627152  0.68386461  0.79715372
   0.59737585  0.81859783  0.44446712
   0.91262273  0.94640130  0.82020853
   0.91922442  0.84326856  0.65322954
   0.67784929  0.91028254  0.74196740
   0.79326750  0.65075322  0.97809311
   0.54624344  0.65663726  0.90110038
   0.72310485  0.83224811  0.57970230
   0.51489494  0.82134479  0.41184629
   0.87595434  0.22165101  0.06021865
   0.91697780  0.38424469  0.36530498
   0.31147444  0.10223884  0.62865710
   0.29065441  0.64665696  0.72283019
   0.19620464  1.09770969  0.17790643
   0.25374270  1.07259169 -0.00486927
   0.60945319  0.34033280  0.85265807
   0.90127549  0.42408975  0.67469735
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846915    0.189266   -0.002671
    -0.000000    9.878304   -0.006994
    -0.000000    0.000000   13.959565
   Si   O    H 
    32    64    10
Direct configuration=  1933
   0.16429803  0.17526703 -0.04866173
   0.32739105  0.09003836  0.37275036
   0.15630553  0.40477453  0.10303779
   0.38050998  0.33670897  0.25109578
   0.06709321  0.17555132  0.49711744
   0.40818222  0.12123696  0.84631390
   0.12130433  0.42469857  0.63112610
   0.37005207  0.36899983  0.75343816
   0.14604473  0.67763121 -0.00342415
   0.40566436  0.57594743  0.37655722
   0.08312298  0.89348452  0.13996437
   0.33019019  0.83052512  0.25275525
   0.16831000  0.66132156  0.49398200
   0.39906030  0.62981992  0.86366693
   0.05929649  0.90414840  0.60290019
   0.32958466  0.97648890  0.67611525
   0.61775938  0.13176361  1.00360899
   0.84677617  0.12539647  0.35463353
   0.62219822  0.40464375  0.11809205
   0.88007600  0.29062498  0.15046692
   0.59266342  0.17148059  0.49220429
   0.87751619  0.10388729  0.86128953
   0.58894276  0.44196670  0.61840184
   0.74109998  0.34593749  0.80206392
   0.62673358  0.65972796  0.00054025
   0.89968391  0.60448548  0.37961641
   0.58501216  0.89928487  0.13830048
   0.84542676  0.85814031  0.25476397
   0.64256547  0.65561457  0.47373131
   0.88397951  0.59548301  0.88866311
   0.61856051  0.92316194  0.62756906
   0.82930668  0.83496588  0.75743314
   0.10473335  0.06067698  0.15279076
   0.33042231  0.18104920  0.27951801
   0.13387471  0.32970743  0.00133183
   0.33214404  0.43222272  0.34529097
   0.53585566  0.35180077  0.21398263
   0.29515814  0.37770510  0.15252067
   0.20654503  0.12900797  0.44229998
  -0.03660599  0.20791283  0.41271737
   0.01428014  0.05134432  0.56550112
   0.46238099  0.22630682  0.75669925
   0.09966203  0.31154695  0.55044562
   0.38870003  0.46039539  0.85604069
   0.43898264  0.45962170  0.67391535
   0.20398598  0.35839492  0.71604265
   0.26156452  0.19917292 -0.14227224
   0.00690420  0.14152742  0.91988900
   0.12024604  0.56978744  0.08187025
   0.38879394  0.68273936  0.28365575
   0.12427338  0.83072278  0.04061365
   0.33523749  0.93283600  0.35100306
   0.42524563  0.87372052  0.15962974
   0.17665220  0.81116396  0.21754608
   0.31487458  0.65823527  0.45468364
   0.06278005  0.58042444  0.41447052
   0.17926127  0.56822946  0.58507745
   0.32771365  0.70535515  0.76919519
   0.10954154  0.80855317  0.51409399
   0.39669954  0.97541773  0.79197984
   0.46104179  0.88992998  0.62796743
   0.17765708  0.91580172  0.67920945
   0.29926331  0.68182473 -0.04582385
   0.03830570  0.61780772  0.91788636
   0.62719457  0.05463946  0.10770883
   0.84554732  0.18761143  0.24890311
   0.61687311  0.29047562  0.03493220
   0.84713860  0.44529268  0.33706667
   0.03537532  0.34519156  0.17295811
   0.77503005  0.42216759  0.15000384
   0.72423867  0.15579896  0.41941916
   0.46022275  0.12874476  0.43909727
   0.61383009  0.07937469  0.59042747
   0.83924899  0.21277385  0.78120275
   0.61512246  0.32504883  0.53221838
   0.85137279  0.43723941  0.86075535
   0.97571426  0.47785512  0.66964069
   0.70345404  0.41409102  0.70121258
   0.74909273  0.09829968  0.93744050
   0.47968918  0.09374343  0.94919707
   0.56857164  0.55562929  0.07721326
   0.90429678  0.71314125  0.29821781
   0.61505523  0.81817734  0.03732701
   0.88501313  0.96267231  0.34132179
   0.91947268  0.90266671  0.15475641
   0.69119968  0.83086549  0.22047692
   0.80660202  0.65764129  0.46147591
   0.57085259  0.54889997  0.39541772
   0.60515726  0.59749050  0.58262558
   0.82772234  0.68333940  0.79858024
   0.59767316  0.81985218  0.44388387
   0.91197625  0.94448398  0.82050827
   0.91937097  0.84409645  0.65244890
   0.67865679  0.91114696  0.74114428
   0.79214790  0.65127347  0.97861406
   0.54632129  0.65482278  0.90044066
   0.71575110  0.83091818  0.57662810
   0.51429175  0.82656628  0.40895174
   0.87744870  0.22053250  0.05968747
   0.91172805  0.37989852  0.36139804
   0.30565611  0.09999034  0.62717413
   0.29720396  0.64536390  0.71672760
   0.18516921  1.09578730  0.17959406
   0.25143783  1.07551297 -0.00027578
   0.61381133  0.34122208  0.85293430
   0.89933959  0.41333330  0.67730820
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846207    0.194968   -0.000728
    -0.000000    9.878617   -0.006591
    -0.000000    0.000000   13.959143
   Si   O    H 
    32    64    10
Direct configuration=  1934
   0.16355391  0.17489772 -0.04956051
   0.32798542  0.09001171  0.37256192
   0.15727236  0.40651466  0.10326484
   0.38039574  0.33725319  0.25138417
   0.06655792  0.17617220  0.49644728
   0.40875584  0.12098411  0.84550041
   0.12189986  0.42344045  0.63217188
   0.37012725  0.36937329  0.75395640
   0.14554873  0.67848448 -0.00403300
   0.40527462  0.57697624  0.37677043
   0.08414665  0.89533313  0.14004590
   0.33026031  0.82987010  0.25348385
   0.16763470  0.66200355  0.49480921
   0.39887229  0.62900614  0.86341906
   0.05954055  0.90318742  0.60309026
   0.32896520  0.97564361  0.67648329
   0.61720529  0.13302919  1.00395314
   0.84875979  0.12510199  0.35469045
   0.62317897  0.40614184  0.11821568
   0.88122496  0.29222497  0.15117815
   0.59356285  0.17167256  0.49131452
   0.87667161  0.10295951  0.86116425
   0.58867438  0.44183989  0.61895272
   0.74006690  0.34609491  0.80270353
   0.62721566  0.65893862  0.00016126
   0.89972621  0.60475935  0.37921503
   0.58570269  0.90038045  0.13785115
   0.84478939  0.85691645  0.25375727
   0.64220119  0.65426787  0.47288453
   0.88431228  0.59632053  0.88837239
   0.61801943  0.92290857  0.62721555
   0.82964433  0.83398797  0.75738459
   0.10410379  0.05946983  0.15352467
   0.32954855  0.18044039  0.28041304
   0.13472986  0.33060970  0.00144566
   0.33214715  0.43358320  0.34565165
   0.53634989  0.35357957  0.21389454
   0.29476856  0.37746840  0.15340778
   0.20639141  0.13051472  0.44202146
  -0.03616870  0.20994703  0.41283647
   0.01458547  0.05114978  0.56707765
   0.46282976  0.22508892  0.75756148
   0.09846604  0.31304768  0.55073513
   0.38875521  0.46147883  0.85622793
   0.43989174  0.45896305  0.67228372
   0.20368510  0.35817690  0.71482578
   0.26096925  0.19824890 -0.14246140
   0.00689450  0.14018660  0.91893578
   0.11815430  0.57118534  0.08229069
   0.38954581  0.68372814  0.28548344
   0.12379094  0.83122848  0.04129373
   0.33679918  0.93289986  0.35103179
   0.42503289  0.87329715  0.16049707
   0.17534363  0.81111688  0.21738729
   0.31456003  0.65927871  0.45363895
   0.06194523  0.58183835  0.41484061
   0.18005421  0.56742858  0.58458876
   0.32761131  0.70469468  0.76961344
   0.10939901  0.80790768  0.51498812
   0.39479423  0.97541306  0.79150332
   0.46003135  0.88965876  0.62748772
   0.17957510  0.91716340  0.68099300
   0.30077681  0.68097797 -0.04550181
   0.03711650  0.61926735  0.91789463
   0.62839863  0.05691938  0.10615175
   0.84373917  0.18634953  0.24758085
   0.61525349  0.29076640  0.03521775
   0.84813099  0.44530788  0.33590383
   0.03561438  0.34555534  0.17248814
   0.77609437  0.42314902  0.15015992
   0.72419352  0.15562695  0.41897834
   0.45842485  0.12765396  0.43911546
   0.61340495  0.07862622  0.58998395
   0.83911912  0.21203547  0.78166878
   0.61681360  0.32431258  0.53189213
   0.84914174  0.43539635  0.86200129
   0.97621758  0.47676293  0.66930229
   0.70204577  0.41297375  0.70166439
   0.75074461  0.09870448  0.93793399
   0.47963431  0.09381275  0.94916907
   0.56818125  0.55591761  0.07795967
   0.90410960  0.71329411  0.29741046
   0.61694793  0.81724442  0.03684410
   0.88505667  0.96024405  0.34230764
   0.91931205  0.90310543  0.15484594
   0.69204172  0.83172684  0.22082984
   0.80521550  0.65988717  0.46122722
   0.57037255  0.54667352  0.39409391
   0.60639738  0.59861960  0.58249820
   0.82847383  0.68282787  0.79966194
   0.59814878  0.82058408  0.44400339
   0.91064065  0.94309228  0.82059889
   0.91914377  0.84468373  0.65160033
   0.67913352  0.91189452  0.74052853
   0.79080542  0.65123163  0.97929998
   0.54740710  0.65255929  0.90020100
   0.70666544  0.83204087  0.57652686
   0.50714220  0.83193699  0.40328402
   0.87956571  0.21646217  0.05975761
   0.90969083  0.37168590  0.35851897
   0.29952437  0.09947184  0.62322340
   0.30344570  0.64444501  0.71321470
   0.18000155  1.09622874  0.18187512
   0.24535987  1.07589376  0.00513017
   0.61839720  0.33815403  0.85467170
   0.90143769  0.40734911  0.67940040
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845897    0.200303    0.001044
    -0.000000    9.878305   -0.006310
    -0.000000    0.000000   13.958817
   Si   O    H 
    32    64    10
Direct configuration=  1935
   0.16303220  0.17517037 -0.05031444
   0.32862268  0.09034940  0.37256781
   0.15754737  0.40812379  0.10307690
   0.37972990  0.33716056  0.25127947
   0.06591475  0.17683038  0.49597771
   0.40896967  0.12072301  0.84431150
   0.12267055  0.42213631  0.63288395
   0.37089712  0.36966025  0.75448462
   0.14519060  0.67886249 -0.00438412
   0.40555258  0.57781792  0.37682668
   0.08516504  0.89725225  0.13989756
   0.33000950  0.82895878  0.25404207
   0.16631096  0.66278905  0.49515896
   0.39791795  0.62822824  0.86338323
   0.05998297  0.90148572  0.60334334
   0.32889214  0.97493822  0.67720624
   0.61696064  0.13439382  1.00423241
   0.85013373  0.12451333  0.35485666
   0.62394784  0.40775345  0.11807707
   0.88210540  0.29453906  0.15222715
   0.59501380  0.17177103  0.49106731
   0.87632201  0.10095511  0.86089859
   0.58859339  0.44139504  0.61900216
   0.73910621  0.34616603  0.80367720
   0.62817471  0.65864158 -0.00048206
   0.90009511  0.60491606  0.37891080
   0.58674946  0.90138460  0.13733203
   0.84406374  0.85635975  0.25306247
   0.64145416  0.65356670  0.47225378
   0.88470181  0.59661271  0.88809877
   0.61795282  0.92271895  0.62710987
   0.83034334  0.83304799  0.75707685
   0.10382779  0.05842098  0.15408515
   0.32888258  0.17999591  0.28046750
   0.13638116  0.33114803  0.00089914
   0.33221293  0.43418113  0.34581419
   0.53694605  0.35550085  0.21354014
   0.29452312  0.37753359  0.15498810
   0.20618343  0.13188662  0.44162704
  -0.03542324  0.21180430  0.41297181
   0.01523997  0.05227590  0.56898858
   0.46359988  0.22428154  0.75893556
   0.09722313  0.31445022  0.55064947
   0.38873090  0.46262209  0.85678176
   0.44121296  0.45824771  0.67097802
   0.20495943  0.35726241  0.71426754
   0.26004221  0.19785410 -0.14294788
   0.00837091  0.13826324  0.91850283
   0.11692967  0.57180186  0.08246293
   0.39101251  0.68534303  0.28696614
   0.12355859  0.83154003  0.04182377
   0.33848112  0.93245343  0.35062251
   0.42483620  0.87235124  0.16128546
   0.17422255  0.81070635  0.21741761
   0.31458634  0.66049820  0.45236357
   0.06108033  0.58441006  0.41542364
   0.18093970  0.56605995  0.58465261
   0.32684185  0.70331555  0.77071543
   0.10926579  0.80816611  0.51584249
   0.39329796  0.97582653  0.79116786
   0.45874139  0.88905150  0.62726363
   0.18135783  0.91784305  0.68296813
   0.30210982  0.68024929 -0.04519304
   0.03546133  0.62046350  0.91775925
   0.62840606  0.05907087  0.10501675
   0.84265784  0.18551033  0.24581139
   0.61378312  0.29146211  0.03515163
   0.84934415  0.44644437  0.33554693
   0.03522435  0.34645859  0.17234155
   0.77698444  0.42442544  0.14997123
   0.72291395  0.15486029  0.41921663
   0.45642942  0.12761321  0.43895695
   0.61395071  0.07784737  0.58928499
   0.83844843  0.21121242  0.78236950
   0.61865349  0.32401365  0.53168568
   0.84771869  0.43389931  0.86264202
   0.97548814  0.47603238  0.66920351
   0.70012862  0.41174147  0.70186265
   0.75312018  0.09880259  0.93795164
   0.48019689  0.09413993  0.94902349
   0.56737681  0.55552223  0.07873702
   0.90395657  0.71400285  0.29652360
   0.61807868  0.81623947  0.03635235
   0.88496128  0.95875116  0.34270106
   0.91884656  0.90356419  0.15461288
   0.69274732  0.83257882  0.22038179
   0.80342323  0.66264128  0.46151281
   0.56990197  0.54596709  0.39259038
   0.60734733  0.59916082  0.58247402
   0.82829546  0.68326398  0.80000310
   0.59820109  0.81999598  0.44347954
   0.90857018  0.94205992  0.82102417
   0.91922684  0.84457718  0.65111478
   0.67890097  0.91190455  0.73962392
   0.78948791  0.65120868  0.98048600
   0.54849135  0.65106110  0.89975500
   0.69768312  0.83677451  0.57850694
   0.50975607  0.83350328  0.40176427
   0.88071122  0.20943972  0.06073596
   0.90687331  0.36777388  0.35315407
   0.29184391  0.10170759  0.61902325
   0.31043102  0.64648802  0.71218819
   0.18123738  1.09775469  0.18827973
   0.23398542  1.07713360  0.01201589
   0.62250310  0.33230519  0.86140214
   0.90877180  0.40583865  0.67844223
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845888    0.205084    0.003037
    -0.000000    9.877806   -0.006660
    -0.000000    0.000000   13.958749
   Si   O    H 
    32    64    10
Direct configuration=  1936
   0.16213477  0.17616383 -0.05102638
   0.32962375  0.09106539  0.37279914
   0.15689073  0.40926109  0.10295962
   0.37912111  0.33698661  0.25144444
   0.06589554  0.17730007  0.49551430
   0.40863948  0.12043971  0.84305832
   0.12303515  0.42110972  0.63353515
   0.37083060  0.36982294  0.75500931
   0.14439172  0.67977221 -0.00495941
   0.40594605  0.57853136  0.37696721
   0.08535621  0.89893576  0.14019309
   0.32989257  0.82811632  0.25443309
   0.16538112  0.66308923  0.49499323
   0.39685691  0.62766399  0.86305402
   0.06069673  0.89998817  0.60360176
   0.32936598  0.97505455  0.67800201
   0.61707879  0.13530800  1.00473330
   0.85135325  0.12364822  0.35528057
   0.62474013  0.40913510  0.11787969
   0.88321366  0.29661800  0.15313704
   0.59611596  0.17143781  0.49124096
   0.87582724  0.09807385  0.86050843
   0.58911620  0.44120039  0.61911098
   0.73816685  0.34604778  0.80443424
   0.62919789  0.65862807 -0.00153133
   0.90102279  0.60422380  0.37852173
   0.58771181  0.90243635  0.13639566
   0.84346187  0.85609033  0.25258022
   0.64084139  0.65283335  0.47184678
   0.88499113  0.59668891  0.88822268
   0.61768605  0.92279784  0.62722216
   0.83070478  0.83213186  0.75595464
   0.10329726  0.05695672  0.15532962
   0.32845063  0.17980970  0.27972881
   0.13897492  0.33161106  0.00012855
   0.33215899  0.43407017  0.34583515
   0.53680934  0.35669072  0.21345380
   0.29363008  0.37708624  0.15598402
   0.20652084  0.13262492  0.44147813
  -0.03527757  0.21357820  0.41241000
   0.01607354  0.05257524  0.57102566
   0.46398712  0.22388710  0.76042357
   0.09612304  0.31481796  0.55037190
   0.38831097  0.46301308  0.85696405
   0.44259510  0.45827617  0.66913077
   0.20679594  0.35643478  0.71396042
   0.25936257  0.19676553 -0.14315694
   0.01077589  0.13724600  0.91852943
   0.11606089  0.57257960  0.08296294
   0.39287544  0.68702251  0.28860087
   0.12363321  0.83096907  0.04165996
   0.33962470  0.93233742  0.34995288
   0.42459736  0.87137624  0.16217208
   0.17392830  0.81088631  0.21822909
   0.31514715  0.66102895  0.45156248
   0.06039940  0.58668839  0.41563498
   0.18179967  0.56395730  0.58581981
   0.32557512  0.70138115  0.77101647
   0.10898707  0.80804333  0.51673472
   0.39091485  0.97613879  0.79083963
   0.45789286  0.88915695  0.62757563
   0.18308826  0.91811371  0.68466708
   0.30275063  0.67964711 -0.04484668
   0.03437500  0.62272023  0.91745870
   0.62815538  0.06037988  0.10450906
   0.84133274  0.18537911  0.24404239
   0.61206039  0.29189090  0.03559446
   0.85087653  0.44781613  0.33488030
   0.03531370  0.34822998  0.17218647
   0.77809490  0.42608047  0.15011468
   0.72122511  0.15418837  0.41911775
   0.45490937  0.12774661  0.43929557
   0.61491933  0.07647079  0.58904265
   0.83781606  0.20979023  0.78306058
   0.62044194  0.32440145  0.53154295
   0.84665759  0.43260388  0.86336502
   0.97493708  0.47473350  0.66917703
   0.69874559  0.41109043  0.70156652
   0.75495554  0.09904318  0.93836958
   0.48093476  0.09368620  0.94902466
   0.56661289  0.55507945  0.07892923
   0.90361697  0.71508769  0.29564723
   0.61967195  0.81506599  0.03624956
   0.88483749  0.95778805  0.34346592
   0.91869139  0.90355118  0.15466737
   0.69256948  0.83307988  0.21940218
   0.80147945  0.66441747  0.46165914
   0.56941634  0.54549568  0.39184164
   0.60873724  0.59850633  0.58212899
   0.82755843  0.68325129  0.80003686
   0.59804902  0.81918100  0.44329456
   0.90647626  0.94252308  0.82141522
   0.91964860  0.84422107  0.65065860
   0.67919782  0.91124175  0.73907429
   0.78900019  0.65090261  0.98169983
   0.55004636  0.64931967  0.89977901
   0.69937462  0.83777389  0.57670251
   0.52140617  0.83392879  0.40279551
   0.88042148  0.20753839  0.06417702
   0.90228034  0.36599159  0.34985308
   0.28777963  0.09845957  0.61436339
   0.31619568  0.65059853  0.71497393
   0.18217034  1.09941232  0.19210495
   0.22456187  1.08002446  0.01667528
   0.62402609  0.32644492  0.87016770
   0.91611784  0.40456388  0.67629200
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845759    0.210174    0.005303
    -0.000000    9.877223   -0.006884
    -0.000000    0.000000   13.958735
   Si   O    H 
    32    64    10
Direct configuration=  1937
   0.16134466  0.17709095 -0.05172283
   0.33009854  0.09154343  0.37296831
   0.15614489  0.41041037  0.10254005
   0.37860865  0.33699706  0.25133308
   0.06630370  0.17745277  0.49526641
   0.40871843  0.12000513  0.84199312
   0.12304918  0.42078176  0.63340438
   0.37096629  0.37027215  0.75549706
   0.14380106  0.68054522 -0.00588951
   0.40593476  0.57953295  0.37670532
   0.08542055  0.90018610  0.14052011
   0.33008017  0.82740818  0.25444733
   0.16423790  0.66252141  0.49500887
   0.39645651  0.62717948  0.86309681
   0.06114294  0.89821756  0.60411146
   0.32996807  0.97477083  0.67886647
   0.61759158  0.13603753  1.00503357
   0.85265772  0.12269679  0.35548159
   0.62540447  0.41029242  0.11758814
   0.88460397  0.29855693  0.15360340
   0.59781430  0.17079204  0.49138213
   0.87525228  0.09587359  0.86025202
   0.58972187  0.44051195  0.61859385
   0.73786682  0.34519969  0.80478061
   0.63013792  0.65860262 -0.00193893
   0.90207002  0.60306260  0.37811145
   0.58827310  0.90346907  0.13547749
   0.84303150  0.85612968  0.25223575
   0.64021536  0.65244305  0.47186997
   0.88415403  0.59678280  0.88863940
   0.61774384  0.92279251  0.62771909
   0.83074528  0.83211006  0.75473058
   0.10352738  0.05533948  0.15652502
   0.32894349  0.17964501  0.27899355
   0.14133134  0.33101331 -0.00032394
   0.33316350  0.43469900  0.34549887
   0.53676901  0.35784958  0.21366617
   0.29250292  0.37666856  0.15711734
   0.20715267  0.13317329  0.44181940
  -0.03533338  0.21526243  0.41161135
   0.01590278  0.05287766  0.57220687
   0.46373764  0.22395572  0.76197499
   0.09568324  0.31463942  0.55053184
   0.38701634  0.46292097  0.85681540
   0.44355750  0.45781399  0.66791337
   0.20907978  0.35658425  0.71410557
   0.25912855  0.19513758 -0.14321625
   0.01308691  0.13623320  0.91852980
   0.11557966  0.57339506  0.08372468
   0.39450917  0.68920332  0.29033893
   0.12386438  0.82977824  0.04179090
   0.34114769  0.93050974  0.34889516
   0.42428357  0.87158513  0.16300265
   0.17336243  0.81178350  0.21948259
   0.31652535  0.66145962  0.45092156
   0.06002431  0.58919788  0.41606968
   0.18331970  0.56209064  0.58696805
   0.32382653  0.69988958  0.77136956
   0.10854384  0.80817420  0.51728881
   0.38849741  0.97674737  0.79072741
   0.45652007  0.88970328  0.62754370
   0.18345818  0.91837844  0.68612178
   0.30298007  0.67990086 -0.04464986
   0.03364806  0.62478469  0.91736904
   0.62745263  0.06135335  0.10445724
   0.83963738  0.18518928  0.24249625
   0.61062141  0.29359863  0.03621781
   0.85208804  0.45036092  0.33400348
   0.03600102  0.34915989  0.17204397
   0.77882323  0.42778750  0.15028378
   0.71971236  0.15299968  0.41878613
   0.45382903  0.12831790  0.43992360
   0.61602312  0.07603286  0.58832046
   0.83722767  0.20814032  0.78367470
   0.62039486  0.32510731  0.53112040
   0.84625226  0.43203207  0.86462867
   0.97432793  0.47420237  0.66916091
   0.69796449  0.40894642  0.70164191
   0.75656653  0.09902936  0.93915744
   0.48031663  0.09367368  0.94834931
   0.56653370  0.55460040  0.07939102
   0.90377183  0.71613412  0.29438888
   0.62061381  0.81379266  0.03653927
   0.88462086  0.95684321  0.34396146
   0.91854343  0.90255720  0.15467553
   0.69162849  0.83390482  0.21855956
   0.79940990  0.66667249  0.46183390
   0.56951461  0.54573923  0.39083762
   0.61030331  0.59781041  0.58215522
   0.82638614  0.68303831  0.79946455
   0.59794412  0.81853457  0.44375769
   0.90423159  0.94313457  0.82211925
   0.92008290  0.84432647  0.65058613
   0.68002558  0.91071559  0.73818135
   0.78888828  0.65044513  0.98209011
   0.55075952  0.64746456  0.89964389
   0.70738760  0.83250728  0.57423828
   0.52596029  0.83473685  0.40057560
   0.87866366  0.20857321  0.07065899
   0.89955179  0.36328474  0.34724152
   0.28845550  0.09281733  0.61049176
   0.32268194  0.65003568  0.71279267
   0.17992076  1.10063201  0.18960789
   0.21785152  1.08384631  0.02239994
   0.62464625  0.32188057  0.87631872
   0.91413305  0.39223703  0.67541783
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845510    0.214750    0.007552
    -0.000000    9.876640   -0.007513
    -0.000000    0.000000   13.959182
   Si   O    H 
    32    64    10
Direct configuration=  1938
   0.16027493  0.17814312 -0.05248089
   0.33065889  0.09187479  0.37291812
   0.15460118  0.41132466  0.10187530
   0.37889062  0.33694217  0.25117553
   0.06688684  0.17681707  0.49496965
   0.40853470  0.11888203  0.84143497
   0.12287317  0.42093203  0.63279800
   0.37112917  0.37091777  0.75589365
   0.14409242  0.68119133 -0.00681543
   0.40554132  0.58049298  0.37620476
   0.08541046  0.90098987  0.14100136
   0.33008452  0.82733503  0.25397822
   0.16327065  0.66141286  0.49471133
   0.39589179  0.62693241  0.86333225
   0.06138988  0.89683422  0.60482723
   0.33108739  0.97428902  0.67953915
   0.61811941  0.13685715  1.00503331
   0.85410087  0.12221996  0.35517867
   0.62619758  0.41149911  0.11714153
   0.88568358  0.29971419  0.15421497
   0.59914147  0.17073643  0.49126540
   0.87470924  0.09473735  0.86068593
   0.59063876  0.43982652  0.61764218
   0.73771949  0.34426676  0.80537579
   0.63061571  0.65847859 -0.00216786
   0.90343288  0.60162307  0.37779007
   0.58880310  0.90418218  0.13452703
   0.84267930  0.85582648  0.25157974
   0.63936191  0.65225146  0.47182986
   0.88223086  0.59629597  0.88952471
   0.61775128  0.92245551  0.62790978
   0.83049551  0.83239965  0.75344890
   0.10499531  0.05438545  0.15720603
   0.33012528  0.18014225  0.27802234
   0.14379018  0.32975444 -0.00107249
   0.33602272  0.43480633  0.34499721
   0.53574852  0.35918239  0.21346298
   0.29224638  0.37629077  0.15841350
   0.20726317  0.13404832  0.44161584
  -0.03575582  0.21603292  0.41058942
   0.01574310  0.05354234  0.57296225
   0.46403661  0.22435822  0.76350532
   0.09572053  0.31474833  0.55026127
   0.38582701  0.46295586  0.85639251
   0.44335615  0.45719330  0.66713637
   0.21187804  0.35648412  0.71499120
   0.25870260  0.19429362 -0.14350644
   0.01435136  0.13527116  0.91840864
   0.11553215  0.57384325  0.08456309
   0.39574689  0.69095920  0.29183977
   0.12408797  0.82907556  0.04109056
   0.34190529  0.92868854  0.34775540
   0.42402595  0.87159003  0.16428267
   0.17343911  0.81195853  0.22038313
   0.31674036  0.66180074  0.45051494
   0.06048571  0.59068233  0.41664756
   0.18434505  0.56070687  0.58798866
   0.32252247  0.69871001  0.77171776
   0.10762496  0.80899574  0.51751047
   0.38648219  0.97791271  0.79039161
   0.45374613  0.88936860  0.62732248
   0.18305272  0.91852447  0.68742688
   0.30309859  0.68046092 -0.04443565
   0.03440593  0.62660864  0.91759472
   0.62684515  0.06145434  0.10502676
   0.83776093  0.18534460  0.24162078
   0.60875896  0.29524126  0.03698132
   0.85316964  0.45309937  0.33335058
   0.03689019  0.34995211  0.17131338
   0.77924159  0.42900797  0.15045245
   0.71819886  0.15252339  0.41849065
   0.45283252  0.12919032  0.44137431
   0.61699167  0.07607115  0.58785036
   0.83598098  0.20627775  0.78437752
   0.61989302  0.32640982  0.53056264
   0.84666289  0.43239821  0.86642250
   0.97399819  0.47295115  0.66976724
   0.69723263  0.40765673  0.70212740
   0.75740185  0.09891752  0.94008201
   0.47978960  0.09394771  0.94779440
   0.56674401  0.55455148  0.07989958
   0.90392288  0.71679577  0.29307409
   0.62098865  0.81359057  0.03737893
   0.88514648  0.95731831  0.34458207
   0.91873183  0.90157600  0.15465415
   0.68999447  0.83514753  0.21777751
   0.79774497  0.66848458  0.46177940
   0.57025427  0.54595175  0.38999148
   0.61256480  0.59649278  0.58168126
   0.82517283  0.68312745  0.79866234
   0.59854494  0.81744711  0.44423441
   0.90260372  0.94382813  0.82302888
   0.92026552  0.84449848  0.65055602
   0.68067696  0.91011079  0.73733105
   0.78851306  0.65029221  0.98173250
   0.55099175  0.64581439  0.89915709
   0.71462271  0.82750597  0.57140941
   0.52605534  0.84222174  0.39696489
   0.87573990  0.21230313  0.07565863
   0.89882002  0.35781863  0.34740552
   0.29350979  0.08943181  0.60827394
   0.32764611  0.64487319  0.70635045
   0.17135164  1.09901172  0.18691669
   0.21424954  1.08760721  0.02561305
   0.62436861  0.31965043  0.87876958
   0.91501603  0.38931461  0.67320700
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845604    0.218683    0.009790
    -0.000000    9.875916   -0.008214
    -0.000000    0.000000   13.959612
   Si   O    H 
    32    64    10
Direct configuration=  1939
   0.15911162  0.17885905 -0.05297612
   0.33076613  0.09180156  0.37271313
   0.15310210  0.41234318  0.10076053
   0.37969947  0.33675135  0.25081535
   0.06769462  0.17639619  0.49477736
   0.40828431  0.11733557  0.84094986
   0.12212418  0.42114910  0.63218594
   0.37136199  0.37108531  0.75589849
   0.14467959  0.68136466 -0.00696255
   0.40517609  0.58154464  0.37543309
   0.08554912  0.90178314  0.14154476
   0.32974357  0.82702502  0.25351349
   0.16278346  0.66011493  0.49449684
   0.39568101  0.62683935  0.86359345
   0.06153265  0.89674660  0.60544783
   0.33187651  0.97395900  0.68035536
   0.61910898  0.13778501  1.00455161
   0.85541302  0.12182563  0.35500633
   0.62690915  0.41236008  0.11705228
   0.88705829  0.30090809  0.15511039
   0.59967584  0.17085954  0.49126855
   0.87414043  0.09358607  0.86128483
   0.59119856  0.43873644  0.61648227
   0.73783672  0.34277393  0.80618303
   0.63073259  0.65882700 -0.00228805
   0.90431867  0.59954317  0.37738811
   0.58924905  0.90464150  0.13364835
   0.84218710  0.85585450  0.25087339
   0.63875402  0.65231263  0.47155136
   0.88012179  0.59634368  0.89074829
   0.61762272  0.92212178  0.62751343
   0.83035248  0.83339320  0.75233850
   0.10627417  0.05308950  0.15716414
   0.33066112  0.18123569  0.27642341
   0.14613801  0.32834098 -0.00106640
   0.33901209  0.43385571  0.34468559
   0.53499063  0.35991388  0.21314583
   0.29212511  0.37693060  0.15927888
   0.20720225  0.13557912  0.44145712
  -0.03663328  0.21599936  0.40954049
   0.01561511  0.05469536  0.57344722
   0.46343645  0.22507465  0.76526712
   0.09601999  0.31450461  0.54986861
   0.38420895  0.46245091  0.85548604
   0.44261093  0.45568095  0.66623475
   0.21425658  0.35601356  0.71650923
   0.25797434  0.19420909 -0.14374224
   0.01486415  0.13392058  0.91841120
   0.11472703  0.57405900  0.08497875
   0.39636705  0.69213932  0.29303333
   0.12333567  0.82831468  0.04059955
   0.34253953  0.92750213  0.34658331
   0.42411035  0.87198860  0.16572285
   0.17345407  0.81249805  0.22108089
   0.31649175  0.66164094  0.45070102
   0.06010313  0.59177287  0.41716096
   0.18619715  0.55893587  0.58865949
   0.32090167  0.69766283  0.77118164
   0.10673822  0.80942344  0.51721482
   0.38473665  0.97848168  0.79018190
   0.45137093  0.88842639  0.62675628
   0.18134121  0.91866132  0.68888682
   0.30300263  0.68129013 -0.04416626
   0.03516170  0.62786835  0.91780670
   0.62636907  0.06081093  0.10548479
   0.83637842  0.18549301  0.24114173
   0.60707751  0.29679513  0.03730935
   0.85426744  0.45436639  0.33290745
   0.03797165  0.35124871  0.17089559
   0.77952149  0.43010619  0.15078652
   0.71685786  0.15092974  0.41783447
   0.45269455  0.13070719  0.44329076
   0.61812837  0.07620423  0.58727992
   0.83507254  0.20456967  0.78437849
   0.61932084  0.32748430  0.53074770
   0.84758343  0.43248851  0.86839389
   0.97322242  0.47107570  0.67078332
   0.69636578  0.40636195  0.70248886
   0.75689468  0.09928818  0.94077672
   0.47946507  0.09414467  0.94698857
   0.56704925  0.55451456  0.08099823
   0.90383027  0.71664887  0.29143654
   0.62072343  0.81423095  0.03843651
   0.88515640  0.95847453  0.34484673
   0.91925211  0.90102050  0.15404946
   0.68839678  0.83643727  0.21713629
   0.79703338  0.66959378  0.46198555
   0.57116634  0.54639775  0.38939703
   0.61415347  0.59520343  0.58075353
   0.82439398  0.68383849  0.79799209
   0.59901115  0.81596032  0.44463316
   0.90153220  0.94459325  0.82409829
   0.92008953  0.84368752  0.65013627
   0.68126655  0.90907958  0.73624419
   0.78831666  0.64879683  0.98126846
   0.55094782  0.64439503  0.89839194
   0.71626556  0.82636971  0.57271784
   0.52898822  0.84533300  0.39707486
   0.87335474  0.21620366  0.07543086
   0.89955966  0.36386950  0.34827529
   0.30371428  0.08747853  0.60819363
   0.33138266  0.64467050  0.70902740
   0.17733238  1.10885208  0.18994462
   0.20850833  1.09043832  0.02558913
   0.62534180  0.31928893  0.87897197
   0.91905292  0.39167214  0.67257687
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846072    0.222435    0.011569
    -0.000000    9.875201   -0.008624
    -0.000000    0.000000   13.959829
   Si   O    H 
    32    64    10
Direct configuration=  1940
   0.15813729  0.17989159 -0.05340789
   0.33074129  0.09153300  0.37277949
   0.15176032  0.41258732  0.09973722
   0.38041517  0.33650152  0.25039711
   0.06823933  0.17535704  0.49471669
   0.40763152  0.11609031  0.84094195
   0.12133742  0.42212502  0.63221582
   0.37152127  0.37112438  0.75609935
   0.14541318  0.68094241 -0.00690781
   0.40498643  0.58263007  0.37409315
   0.08541989  0.90215465  0.14181012
   0.32914217  0.82674391  0.25291343
   0.16277906  0.65844362  0.49444850
   0.39537894  0.62642414  0.86391871
   0.06131395  0.89714969  0.60608742
   0.33269677  0.97363900  0.68101034
   0.61946614  0.13901616  1.00458252
   0.85716566  0.12147576  0.35462253
   0.62717306  0.41253098  0.11716526
   0.88810243  0.30234132  0.15637769
   0.59968375  0.17133791  0.49128469
   0.87419218  0.09228008  0.86212934
   0.59218879  0.43759107  0.61538448
   0.73794751  0.34150577  0.80700080
   0.63084978  0.65919759 -0.00205991
   0.90546203  0.59761810  0.37677044
   0.59031438  0.90489675  0.13291844
   0.84257158  0.85618178  0.25032550
   0.63795466  0.65249772  0.47116602
   0.87840972  0.59609441  0.89193968
   0.61777520  0.92133529  0.62697100
   0.83075163  0.83450292  0.75089120
   0.10772976  0.05341994  0.15753723
   0.33103276  0.18213799  0.27502975
   0.14787616  0.32742489 -0.00143272
   0.34147093  0.43362901  0.34400154
   0.53365294  0.36043417  0.21279547
   0.29303553  0.37777588  0.16031998
   0.20739287  0.13622512  0.44129830
  -0.03746227  0.21625185  0.40894415
   0.01524889  0.05611193  0.57361444
   0.46358986  0.22621965  0.76613186
   0.09615614  0.31473420  0.54935481
   0.38170094  0.46088850  0.85438236
   0.44216412  0.45450091  0.66490579
   0.21622823  0.35535063  0.71769275
   0.25866340  0.19357428 -0.14446983
   0.01464863  0.13136219  0.91782381
   0.11457375  0.57427857  0.08546125
   0.39714228  0.69472401  0.29424917
   0.12286225  0.82808233  0.04053212
   0.34304928  0.92845319  0.34575580
   0.42458768  0.87354073  0.16681683
   0.17434269  0.81247027  0.22204679
   0.31529849  0.66190811  0.45110120
   0.05978584  0.59282159  0.41741753
   0.18823184  0.55726013  0.58920396
   0.31939474  0.69711292  0.77031989
   0.10672024  0.80903578  0.51719126
   0.38376574  0.97859302  0.78955913
   0.45030564  0.88855163  0.62633547
   0.17921575  0.91892279  0.68994535
   0.30245661  0.68256630 -0.04376291
   0.03582434  0.62853424  0.91807561
   0.62567436  0.05973712  0.10633626
   0.83504284  0.18624667  0.24058994
   0.60575497  0.29792896  0.03743917
   0.85544307  0.45646355  0.33280843
   0.03837905  0.35252794  0.17009792
   0.78058396  0.43056061  0.15104190
   0.71650386  0.14938529  0.41731682
   0.45310431  0.13138231  0.44491088
   0.61929247  0.07606701  0.58673249
   0.83313250  0.20336383  0.78386351
   0.61792417  0.32801270  0.53113639
   0.84783095  0.43214160  0.86998353
   0.97208023  0.46973444  0.67204396
   0.69559375  0.40505096  0.70303935
   0.75571359  0.09963644  0.94095769
   0.47851650  0.09461219  0.94602569
   0.56748104  0.55412353  0.08162883
   0.90444110  0.71598753  0.28986784
   0.62022893  0.81487727  0.03911781
   0.88525630  0.95925541  0.34488996
   0.91942750  0.90038764  0.15317297
   0.68656437  0.83860698  0.21654015
   0.79731958  0.67026424  0.46220058
   0.57180634  0.54713138  0.38900967
   0.61570586  0.59365659  0.57938145
   0.82331315  0.68510044  0.79706803
   0.59944290  0.81551503  0.44488944
   0.90027434  0.94463329  0.82463299
   0.91996615  0.84342263  0.65003504
   0.68085642  0.90760895  0.73557448
   0.78899053  0.64735486  0.98092247
   0.55096545  0.64360933  0.89768032
   0.71479682  0.82827350  0.57547008
   0.53098836  0.84768459  0.40081854
   0.87135615  0.21894265  0.07343548
   0.90113944  0.37894624  0.34864311
   0.31323691  0.08466119  0.61128146
   0.33222510  0.64829649  0.71526419
   0.18060601  1.11470911  0.18802054
   0.20924136  1.09222545  0.02401377
   0.63239033  0.32080253  0.87761950
   0.91558134  0.39479157  0.67353659
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846594    0.226037    0.013338
    -0.000000    9.873771   -0.008980
    -0.000000    0.000000   13.960002
   Si   O    H 
    32    64    10
Direct configuration=  1941
   0.15703636  0.18128099 -0.05393702
   0.33117248  0.09136806  0.37277050
   0.15015810  0.41319291  0.09859981
   0.38169966  0.33652332  0.25015956
   0.06898679  0.17448112  0.49503099
   0.40664723  0.11485949  0.84147874
   0.12065649  0.42270940  0.63230050
   0.37148067  0.37117712  0.75616072
   0.14585442  0.68082987 -0.00651268
   0.40537144  0.58258107  0.37278322
   0.08527069  0.90175755  0.14218122
   0.32886307  0.82704677  0.25219535
   0.16186141  0.65718024  0.49427010
   0.39483346  0.62666262  0.86423162
   0.06035483  0.89828245  0.60713113
   0.33285670  0.97346573  0.68164587
   0.61972251  0.14044263  1.00448603
   0.85883884  0.12119862  0.35332197
   0.62716852  0.41288937  0.11722946
   0.88903945  0.30275279  0.15780263
   0.59939243  0.17176370  0.49103952
   0.87434179  0.09123253  0.86292427
   0.59284272  0.43642049  0.61432325
   0.73851542  0.34052756  0.80793772
   0.63038397  0.65997011 -0.00143503
   0.90626313  0.59608006  0.37681265
   0.59078351  0.90487353  0.13250536
   0.84282964  0.85675233  0.25014648
   0.63695122  0.65321427  0.47059040
   0.87676033  0.59612649  0.89256485
   0.61821479  0.92092417  0.62599411
   0.83142376  0.83518161  0.74964346
   0.10983349  0.05488277  0.15790580
   0.33180790  0.18287041  0.27372916
   0.15006685  0.32625733 -0.00178323
   0.34422076  0.43378201  0.34339843
   0.53362036  0.36081019  0.21202827
   0.29299361  0.37960960  0.16173672
   0.20742900  0.13650869  0.44097421
  -0.03802048  0.21630560  0.40787889
   0.01529357  0.05836584  0.57381617
   0.46431758  0.22730221  0.76699194
   0.09583800  0.31499593  0.54900644
   0.37851886  0.45955007  0.85336204
   0.44129290  0.45226581  0.66367308
   0.21825394  0.35538544  0.71845238
   0.25880249  0.19257937 -0.14473411
   0.01381427  0.12832013  0.91688441
   0.11446413  0.57502947  0.08575623
   0.39861777  0.69705021  0.29439873
   0.12210390  0.82797491  0.04082577
   0.34356783  0.93031859  0.34474849
   0.42494399  0.87522707  0.16700241
   0.17420797  0.81352413  0.22300728
   0.31484141  0.66221952  0.45167608
   0.06098880  0.59353257  0.41794345
   0.18966364  0.55608370  0.58963431
   0.31761364  0.69585761  0.77026000
   0.10741544  0.80853890  0.51664763
   0.38290475  0.97854487  0.78849492
   0.44943124  0.88827470  0.62556903
   0.17691917  0.91909637  0.69041441
   0.30155546  0.68359493 -0.04353453
   0.03584789  0.62889521  0.91789386
   0.62442964  0.05871219  0.10722658
   0.83473513  0.18638305  0.24042493
   0.60425514  0.29997663  0.03695418
   0.85577278  0.45956981  0.33220531
   0.03876891  0.35352060  0.17029345
   0.78119964  0.43020533  0.15151254
   0.71662545  0.14833377  0.41623059
   0.45316541  0.13186559  0.44642280
   0.62106427  0.07670111  0.58582061
   0.83149835  0.20286009  0.78337835
   0.61615067  0.32811344  0.53163599
   0.84804170  0.43338783  0.87157105
   0.97028907  0.46856731  0.67293592
   0.69448537  0.40399395  0.70329276
   0.75355768  0.09970066  0.94150670
   0.47845444  0.09596815  0.94557450
   0.56791271  0.55455199  0.08184705
   0.90562205  0.71531259  0.28922457
   0.62017976  0.81562416  0.03965168
   0.88601920  0.96014554  0.34493908
   0.92019338  0.89921524  0.15237876
   0.68565696  0.84007847  0.21624390
   0.79802812  0.67057083  0.46162618
   0.57168053  0.54772781  0.38889355
   0.61648285  0.59199071  0.57820568
   0.82283933  0.68654970  0.79618290
   0.60003167  0.81460328  0.44538165
   0.89882860  0.94320468  0.82540799
   0.91989688  0.84310376  0.64981385
   0.68076331  0.90584205  0.73488975
   0.78955600  0.64612609  0.98079545
   0.55140506  0.64314535  0.89683189
   0.71250886  0.83205032  0.57846620
   0.52932894  0.85279004  0.40244120
   0.87115888  0.22078180  0.06843999
   0.91097572  0.37811205  0.35199699
   0.32317429  0.08278667  0.61786395
   0.33307831  0.64659069  0.70831644
   0.17901615  1.10917582  0.18054952
   0.21160290  1.09581635  0.02195589
   0.63779351  0.32242945  0.87595372
   0.90701353  0.38682150  0.67762084
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847588    0.229981    0.015042
    -0.000000    9.871912   -0.009007
    -0.000000    0.000000   13.960108
   Si   O    H 
    32    64    10
Direct configuration=  1942
   0.15643393  0.18272598 -0.05451768
   0.33125158  0.09128315  0.37217015
   0.14898309  0.41324199  0.09799621
   0.38296770  0.33612509  0.25077236
   0.06981312  0.17357306  0.49509217
   0.40549542  0.11405384  0.84251935
   0.12022451  0.42348191  0.63251728
   0.37155182  0.37131492  0.75593527
   0.14598994  0.68051146 -0.00587858
   0.40580978  0.58225790  0.37166567
   0.08544142  0.90028251  0.14216630
   0.32829326  0.82740057  0.25179776
   0.16117741  0.65585927  0.49343293
   0.39441778  0.62639855  0.86430012
   0.05937235  0.89989517  0.60837861
   0.33258533  0.97269803  0.68174188
   0.61962623  0.14171875  1.00383816
   0.86002034  0.12055347  0.35224539
   0.62646446  0.41287761  0.11748575
   0.88952438  0.30222591  0.15918894
   0.59899056  0.17134007  0.49112456
   0.87466197  0.09051300  0.86354512
   0.59382296  0.43536685  0.61346456
   0.73966901  0.33941596  0.80870860
   0.62958253  0.66036205 -0.00058233
   0.90751700  0.59550434  0.37709249
   0.59063011  0.90466344  0.13214803
   0.84373530  0.85737523  0.25010425
   0.63565434  0.65425361  0.46995955
   0.87536092  0.59619237  0.89272984
   0.61863667  0.92048207  0.62456883
   0.83187092  0.83639179  0.74840100
   0.11153726  0.05757094  0.15796782
   0.33217628  0.18301495  0.27249644
   0.15194835  0.32608553 -0.00284912
   0.34643439  0.43368452  0.34357726
   0.53450104  0.36131941  0.21093901
   0.29176304  0.38108734  0.16279147
   0.20770738  0.13634693  0.44061433
  -0.03853915  0.21583836  0.40746732
   0.01589861  0.06069570  0.57418131
   0.46451783  0.22885630  0.76727937
   0.09490823  0.31441298  0.54880854
   0.37597789  0.45881666  0.85270728
   0.44074238  0.44949571  0.66288255
   0.22008387  0.35484445  0.71925284
   0.25806066  0.19222937 -0.14525162
   0.01334532  0.12584325  0.91578060
   0.11468216  0.57571171  0.08599663
   0.39997979  0.69858382  0.29472681
   0.12113143  0.82856333  0.03991291
   0.34456448  0.93249614  0.34411582
   0.42592917  0.87651440  0.16681940
   0.17390244  0.81386204  0.22386656
   0.31422098  0.66204982  0.45191029
   0.06285688  0.59384365  0.41858409
   0.19064559  0.55472769  0.58931971
   0.31610388  0.69379595  0.76915699
   0.10792284  0.80784398  0.51658111
   0.38244040  0.97887353  0.78835215
   0.44984264  0.88763932  0.62486740
   0.17441286  0.91993233  0.69107236
   0.30094192  0.68456632 -0.04334625
   0.03433395  0.62976887  0.91764522
   0.62393002  0.05791689  0.10763860
   0.83487151  0.18635553  0.24026282
   0.60353994  0.30157371  0.03642846
   0.85649078  0.46198472  0.33228774
   0.03964369  0.35507936  0.17072099
   0.78086279  0.43038062  0.15183957
   0.71749096  0.14691050  0.41517700
   0.45331090  0.13238296  0.44743594
   0.62273110  0.07690337  0.58511382
   0.83052103  0.20273319  0.78253134
   0.61452414  0.32759427  0.53195516
   0.84884247  0.43541020  0.87255200
   0.96794227  0.46690399  0.67381563
   0.69351288  0.40333549  0.70315394
   0.75201970  0.09989957  0.94237150
   0.47828366  0.09673130  0.94554979
   0.56830272  0.55566740  0.08193761
   0.90621781  0.71445950  0.28867367
   0.61966948  0.81617378  0.04030313
   0.88664054  0.96009481  0.34437305
   0.92180544  0.89812056  0.15175013
   0.68429360  0.84206721  0.21612068
   0.79919552  0.67041684  0.46079304
   0.57185384  0.54806342  0.38962840
   0.61669776  0.59074768  0.57697897
   0.82318304  0.68657094  0.79500064
   0.60084507  0.81355628  0.44570726
   0.89842169  0.94158822  0.82573057
   0.91973681  0.84242784  0.65010874
   0.68028613  0.90512900  0.73466318
   0.78953167  0.64465689  0.98022651
   0.55262600  0.64317406  0.89606662
   0.70625021  0.83405148  0.58162933
   0.53343208  0.85448262  0.40573668
   0.87360359  0.22358368  0.06366704
   0.92011665  0.37879679  0.35419690
   0.33111334  0.08567668  0.62251239
   0.33241678  0.64797411  0.70240072
   0.18511889  1.10917802  0.17404673
   0.21433971  1.09833300  0.01897788
   0.63637956  0.32391904  0.87664054
   0.90820793  0.38742013  0.67993780
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848407    0.233887    0.016779
    -0.000000    9.869894   -0.009236
    -0.000000    0.000000   13.960334
   Si   O    H 
    32    64    10
Direct configuration=  1943
   0.15578289  0.18400053 -0.05507582
   0.33176536  0.09116472  0.37182603
   0.14865485  0.41316145  0.09737265
   0.38426761  0.33564714  0.25100491
   0.07041101  0.17276937  0.49541216
   0.40451670  0.11371797  0.84363114
   0.11997015  0.42413149  0.63294013
   0.37175545  0.37170194  0.75554338
   0.14560127  0.68054639 -0.00514382
   0.40648325  0.58216370  0.37067548
   0.08565114  0.89867707  0.14204952
   0.32769112  0.82795000  0.25190787
   0.16122079  0.65458321  0.49237791
   0.39415913  0.62598743  0.86424128
   0.05825576  0.90214823  0.60924092
   0.33244622  0.97156014  0.68209222
   0.61975516  0.14259995  1.00372824
   0.86044937  0.11979123  0.35116852
   0.62543792  0.41274543  0.11770575
   0.88880228  0.30159944  0.16034169
   0.59899189  0.17131779  0.49106724
   0.87476900  0.08980655  0.86399735
   0.59478552  0.43517115  0.61311738
   0.74056588  0.33884924  0.80954621
   0.62891454  0.66085561  0.00050445
   0.90872421  0.59563761  0.37733806
   0.59091004  0.90473170  0.13176626
   0.84451904  0.85792891  0.24980997
   0.63462578  0.65517498  0.46963088
   0.87389039  0.59642742  0.89285137
   0.61821748  0.91987280  0.62347950
   0.83225794  0.83745319  0.74743758
   0.11231539  0.05976340  0.15812230
   0.33360479  0.18255852  0.27111094
   0.15362783  0.32696377 -0.00371929
   0.34951124  0.43332402  0.34401781
   0.53535784  0.36187543  0.20981049
   0.28942705  0.38268390  0.16345994
   0.20836373  0.13652421  0.44063156
  -0.03942600  0.21583957  0.40743158
   0.01738427  0.06278624  0.57440010
   0.46498338  0.22996845  0.76752119
   0.09260135  0.31325934  0.54883633
   0.37363229  0.45801514  0.85249882
   0.43995413  0.44615213  0.66234836
   0.22076211  0.35411560  0.71940092
   0.25705559  0.19156143 -0.14589382
   0.01320950  0.12341854  0.91475533
   0.11510634  0.57569404  0.08644324
   0.40119557  0.69933087  0.29494985
   0.12062981  0.82940524  0.03946795
   0.34541015  0.93479402  0.34345325
   0.42753574  0.87838353  0.16625908
   0.17317775  0.81336290  0.22435971
   0.31445013  0.66198947  0.45197766
   0.06411592  0.59374527  0.41864238
   0.19115698  0.55445865  0.58831446
   0.31573871  0.69093036  0.76807069
   0.10813298  0.80744185  0.51704557
   0.38228556  0.97847912  0.78851388
   0.45051642  0.88690320  0.62442008
   0.17239588  0.92109558  0.69146826
   0.30063199  0.68388122 -0.04387588
   0.03290616  0.63172844  0.91772250
   0.62317746  0.05746170  0.10763157
   0.83551549  0.18663549  0.23982860
   0.60266187  0.30242351  0.03648329
   0.85700937  0.46349287  0.33320658
   0.04086449  0.35665807  0.17111235
   0.78068084  0.43043137  0.15154861
   0.71856955  0.14493938  0.41437959
   0.45303874  0.13272713  0.44848063
   0.62374753  0.07782965  0.58514768
   0.82908597  0.20282442  0.78130409
   0.61355519  0.32623090  0.53144059
   0.84924785  0.43663809  0.87379056
   0.96489787  0.46525635  0.67433650
   0.69251792  0.40265259  0.70332635
   0.75017457  0.10038166  0.94316413
   0.47856873  0.09761364  0.94571298
   0.56876161  0.55683651  0.08154521
   0.90741628  0.71343730  0.28825164
   0.61901977  0.81624717  0.04036973
   0.88631226  0.96040892  0.34352525
   0.92406453  0.89725299  0.15144202
   0.68333458  0.84358499  0.21682036
   0.80088626  0.66958757  0.45942122
   0.57152872  0.54893811  0.39112271
   0.61630367  0.58972495  0.57624537
   0.82303897  0.68650471  0.79405476
   0.60139082  0.81309235  0.44507622
   0.89763349  0.93969979  0.82582625
   0.91907455  0.84104877  0.65034124
   0.67961161  0.90484196  0.73405691
   0.78876940  0.64259222  0.98013515
   0.55356887  0.64388123  0.89590353
   0.70699262  0.82989838  0.58112499
   0.53429722  0.85698285  0.40790022
   0.88117659  0.22663209  0.06107860
   0.92380129  0.39081311  0.35679270
   0.33365560  0.09733781  0.62672609
   0.32958582  0.65113922  0.70490788
   0.19831227  1.11671660  0.17040610
   0.22304658  1.09942777  0.01497981
   0.62872211  0.32198733  0.88097509
   0.91230427  0.38925016  0.68353989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.849287    0.237742    0.018525
    -0.000000    9.867728   -0.009027
    -0.000000    0.000000   13.960747
   Si   O    H 
    32    64    10
Direct configuration=  1944
   0.15606971  0.18441085 -0.05538070
   0.33170439  0.09074822  0.37200857
   0.14790090  0.41358507  0.09682211
   0.38592710  0.33521135  0.25128276
   0.07075568  0.17210337  0.49548400
   0.40347525  0.11430464  0.84424845
   0.11973909  0.42446729  0.63340313
   0.37185398  0.37183156  0.75550248
   0.14491736  0.68039952 -0.00493474
   0.40734767  0.58212717  0.36979501
   0.08599849  0.89749404  0.14183750
   0.32739585  0.82936295  0.25240235
   0.16153024  0.65372375  0.49217566
   0.39332526  0.62560949  0.86393991
   0.05761623  0.90402945  0.60940685
   0.33248703  0.97050252  0.68233370
   0.61996454  0.14319246  1.00350531
   0.86039176  0.11996054  0.35003153
   0.62443185  0.41240560  0.11786931
   0.88835353  0.30107832  0.16148349
   0.59890389  0.17150620  0.49091544
   0.87473046  0.08966663  0.86413089
   0.59551372  0.43459632  0.61304675
   0.74193501  0.33886905  0.81029435
   0.62780137  0.66167706  0.00160321
   0.90945060  0.59661664  0.37762146
   0.59095923  0.90528364  0.13136549
   0.84551622  0.85857172  0.24884902
   0.63393163  0.65585821  0.46902522
   0.87273922  0.59665727  0.89279708
   0.61806281  0.91964543  0.62205871
   0.83240271  0.83850540  0.74672360
   0.11352450  0.06222554  0.15838704
   0.33533339  0.18210275  0.27045041
   0.15471554  0.32836914 -0.00444934
   0.35266092  0.43285275  0.34426813
   0.53563287  0.36235501  0.20827955
   0.28626219  0.38411999  0.16370561
   0.20901924  0.13601259  0.44076739
  -0.03966493  0.21492241  0.40710313
   0.01944926  0.06403514  0.57438478
   0.46564912  0.23071838  0.76844292
   0.09012827  0.31294270  0.54898729
   0.37148733  0.45792175  0.85236666
   0.43942185  0.44350903  0.66160242
   0.22074539  0.35425799  0.71909933
   0.25594934  0.19082438 -0.14663306
   0.01318451  0.12150779  0.91380466
   0.11555788  0.57653427  0.08633009
   0.40311324  0.69973064  0.29471372
   0.12140071  0.83064431  0.03922444
   0.34657430  0.93735145  0.34226143
   0.42835853  0.88013864  0.16526383
   0.17236792  0.81289167  0.22519513
   0.31547220  0.66260836  0.45176007
   0.06402938  0.59352834  0.41892372
   0.19154998  0.55414532  0.58765819
   0.31617494  0.68924989  0.76736653
   0.10796029  0.80671603  0.51837300
   0.38208709  0.97817662  0.78979752
   0.45140857  0.88657446  0.62440307
   0.17152810  0.92198861  0.69198289
   0.30028745  0.68292767 -0.04513590
   0.03119695  0.63329920  0.91824324
   0.62257915  0.05688126  0.10734344
   0.83650205  0.18656459  0.24006091
   0.60190872  0.30290162  0.03655743
   0.85682752  0.46304515  0.33411897
   0.04147756  0.35745714  0.17169682
   0.78095838  0.42998524  0.15190879
   0.71986441  0.14339527  0.41353557
   0.45402850  0.13269691  0.44945344
   0.62458851  0.07769097  0.58585874
   0.82768567  0.20218065  0.78037270
   0.61328872  0.32508107  0.53073983
   0.84958136  0.43692562  0.87462780
   0.96292818  0.46444596  0.67474545
   0.69193353  0.40198953  0.70378964
   0.74841814  0.10150207  0.94375531
   0.47849938  0.09880228  0.94635684
   0.56971906  0.55907130  0.08186522
   0.90867805  0.71330568  0.28797924
   0.61775756  0.81583747  0.04026645
   0.88553634  0.95947336  0.34280899
   0.92576529  0.89643636  0.15127058
   0.68253392  0.84398555  0.21766180
   0.80334374  0.66798830  0.45807416
   0.57146181  0.54970748  0.39210257
   0.61605654  0.58913733  0.57594838
   0.82312145  0.68652547  0.79378413
   0.60234665  0.81235215  0.44470325
   0.89696157  0.93823940  0.82556558
   0.91936118  0.83973274  0.64997260
   0.67976047  0.90451608  0.73332809
   0.78775637  0.64081461  0.98044913
   0.55387503  0.64423601  0.89616348
   0.71140212  0.82463296  0.57751442
   0.52546651  0.85998828  0.40644952
   0.88898580  0.23382298  0.06063098
   0.92332082  0.40132622  0.35594621
   0.33636688  0.11171362  0.62885330
   0.32868954  0.65610023  0.70757988
   0.20186033  1.11282201  0.16424284
   0.23043543  1.09620359  0.00964593
   0.62673974  0.31745821  0.87995392
   0.90651981  0.38472000  0.68931407
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850289    0.241566    0.019363
    -0.000000    9.865414   -0.008611
    -0.000000    0.000000   13.960916
   Si   O    H 
    32    64    10
Direct configuration=  1945
   0.15708578  0.18417027 -0.05593495
   0.33258031  0.09042467  0.37258950
   0.14721690  0.41348833  0.09675308
   0.38758441  0.33502586  0.25111247
   0.07119350  0.17198389  0.49569991
   0.40291672  0.11539766  0.84506525
   0.11956592  0.42502904  0.63392384
   0.37199419  0.37246497  0.75497473
   0.14489134  0.68023874 -0.00480978
   0.40825627  0.58236309  0.36942041
   0.08661205  0.89723600  0.14154102
   0.32698353  0.83024085  0.25331290
   0.16193726  0.65284509  0.49290335
   0.39226214  0.62567276  0.86394434
   0.05716674  0.90618217  0.60953384
   0.33163972  0.96938550  0.68234140
   0.61997364  0.14378601  1.00363907
   0.85980681  0.12014943  0.34919863
   0.62388114  0.41180139  0.11838738
   0.88830242  0.30014655  0.16266172
   0.59865034  0.17178929  0.49080545
   0.87388598  0.08987697  0.86431137
   0.59542177  0.43423614  0.61330793
   0.74324802  0.33896553  0.81082232
   0.62586897  0.66313576  0.00271137
   0.90987972  0.59814772  0.37785211
   0.59062083  0.90554473  0.13141605
   0.84670328  0.85907596  0.24779354
   0.63411025  0.65622200  0.46819353
   0.87177234  0.59634025  0.89220131
   0.61816276  0.91886210  0.62054031
   0.83237163  0.83939555  0.74601364
   0.11387551  0.06432972  0.15887088
   0.33698666  0.18144635  0.27028148
   0.15722841  0.32987538 -0.00512657
   0.35548209  0.43236299  0.34478660
   0.53565094  0.36275204  0.20667697
   0.28330369  0.38611190  0.16367708
   0.20973848  0.13506945  0.44047904
  -0.03965853  0.21406389  0.40701049
   0.02162106  0.06431884  0.57395571
   0.46638801  0.23098524  0.76940764
   0.08753746  0.31292955  0.54973239
   0.37000735  0.45876818  0.85244894
   0.43997558  0.44116785  0.66094363
   0.22024611  0.35462802  0.71872812
   0.25473322  0.19048228 -0.14686509
   0.01212671  0.11964619  0.91309874
   0.11578526  0.57804529  0.08568105
   0.40482355  0.70080152  0.29345228
   0.12194729  0.83189724  0.03877976
   0.34666923  0.93965161  0.34052223
   0.42948558  0.88114067  0.16460523
   0.17200769  0.81202678  0.22580152
   0.31625435  0.66335072  0.45146086
   0.06369128  0.59304588  0.41878337
   0.19170785  0.55428872  0.58626378
   0.31678858  0.68762599  0.76801113
   0.10805584  0.80587055  0.52009037
   0.38232769  0.97711979  0.79078999
   0.45175520  0.88619593  0.62502439
   0.17073618  0.92251490  0.69203339
   0.30070554  0.68211589 -0.04593646
   0.02971648  0.63526410  0.91915922
   0.62184294  0.05713583  0.10698586
   0.83790226  0.18640889  0.24021795
   0.60149976  0.30316668  0.03572567
   0.85611738  0.46272520  0.33479073
   0.04147756  0.35814191  0.17280951
   0.78083605  0.43060817  0.15329962
   0.72082081  0.14320537  0.41246954
   0.45552849  0.13268567  0.44984554
   0.62536997  0.07743482  0.58678528
   0.82698891  0.20121210  0.77944274
   0.61308042  0.32378354  0.52987626
   0.84947751  0.43677398  0.87512963
   0.96088747  0.46292396  0.67431877
   0.69232540  0.40059009  0.70457301
   0.74711261  0.10288766  0.94360547
   0.47883055  0.10068448  0.94685464
   0.57077395  0.56172922  0.08230198
   0.91053114  0.71317505  0.28847766
   0.61694518  0.81562274  0.03967481
   0.88515815  0.95783551  0.34214056
   0.92623905  0.89593733  0.15175981
   0.68298748  0.84487326  0.21867099
   0.80577027  0.66581459  0.45684902
   0.57138917  0.55109458  0.39274184
   0.61583421  0.58896830  0.57582920
   0.82411478  0.68644661  0.79323578
   0.60243388  0.81284958  0.44416127
   0.89629661  0.93690244  0.82549212
   0.92026700  0.83901638  0.64997332
   0.68038149  0.90542034  0.73238866
   0.78645847  0.63887395  0.98105528
   0.55392991  0.64425612  0.89670414
   0.71784479  0.81949514  0.57363829
   0.52813259  0.86201683  0.40756838
   0.89559605  0.24358015  0.06105648
   0.92917878  0.39880206  0.35795346
   0.33627054  0.11750359  0.63184324
   0.33053904  0.65445994  0.69678066
   0.19681796  1.10252328  0.15762747
   0.23837826  1.09078316  0.00474720
   0.62770675  0.31243367  0.87524681
   0.90374087  0.38710871  0.69314318
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851257    0.245291    0.019969
    -0.000000    9.863298   -0.008328
    -0.000000    0.000000   13.961304
   Si   O    H 
    32    64    10
Direct configuration=  1946
   0.15820176  0.18362118 -0.05633682
   0.33320048  0.09024608  0.37306567
   0.14703757  0.41336799  0.09673129
   0.38858659  0.33521780  0.25099759
   0.07168736  0.17243051  0.49592312
   0.40238231  0.11659720  0.84570981
   0.11960314  0.42585442  0.63449799
   0.37188010  0.37297638  0.75470271
   0.14490614  0.67921971 -0.00486777
   0.40934225  0.58272836  0.36941184
   0.08755571  0.89759699  0.14150947
   0.32743533  0.83101237  0.25450704
   0.16188907  0.65275928  0.49349470
   0.39062521  0.62508168  0.86375427
   0.05698020  0.90808366  0.60951681
   0.33106076  0.96823861  0.68223683
   0.61991115  0.14433028  1.00360756
   0.85890502  0.12110117  0.34850282
   0.62398254  0.41131858  0.11909711
   0.88806500  0.29902221  0.16361892
   0.59880809  0.17233849  0.49094033
   0.87262759  0.09003514  0.86462606
   0.59472981  0.43386809  0.61340182
   0.74431066  0.33946369  0.81148833
   0.62421726  0.66440371  0.00393551
   0.91033889  0.59966864  0.37812385
   0.59024613  0.90617603  0.13181459
   0.84756468  0.85876072  0.24721985
   0.63424284  0.65628814  0.46765480
   0.87094899  0.59683583  0.89131692
   0.61836460  0.91776140  0.61935986
   0.83204681  0.83991251  0.74556770
   0.11364144  0.06564814  0.15981030
   0.33800765  0.18058756  0.27019058
   0.15930886  0.33198004 -0.00576485
   0.35759044  0.43186412  0.34506045
   0.53627527  0.36234708  0.20558829
   0.28083896  0.38761337  0.16384047
   0.20957477  0.13391300  0.44014681
  -0.03883680  0.21315954  0.40699318
   0.02334620  0.06401350  0.57331312
   0.46780346  0.23187194  0.77014167
   0.08527620  0.31250033  0.55051991
   0.36800796  0.46025545  0.85284296
   0.44024913  0.43864864  0.65993339
   0.21957978  0.35471390  0.71792379
   0.25346825  0.19015309 -0.14758480
   0.01168573  0.11835816  0.91265664
   0.11656313  0.57932588  0.08587300
   0.40682892  0.70163750  0.29190949
   0.12219357  0.83255748  0.03799211
   0.34732849  0.94097034  0.33905801
   0.43078115  0.88133404  0.16412252
   0.17118131  0.81057594  0.22632029
   0.31840263  0.66389182  0.45093644
   0.06235355  0.59316497  0.41796545
   0.19174580  0.55413297  0.58584288
   0.31780114  0.68616279  0.76832113
   0.10818907  0.80618401  0.52184825
   0.38210266  0.97503186  0.79200643
   0.45199639  0.88656603  0.62568484
   0.17052069  0.92234177  0.69180864
   0.30079710  0.68153868 -0.04640079
   0.02802048  0.63744406  0.92003174
   0.62184877  0.05823067  0.10620422
   0.83942094  0.18587093  0.24064000
   0.60104495  0.30334650  0.03480770
   0.85607999  0.46142793  0.33539188
   0.04088609  0.35863611  0.17408185
   0.78006303  0.43049373  0.15488247
   0.72163591  0.14226921  0.41112285
   0.45638916  0.13295220  0.44964596
   0.62631507  0.07781633  0.58762676
   0.82732677  0.20081957  0.77866894
   0.61257932  0.32268706  0.52858447
   0.84898267  0.43590386  0.87529587
   0.95976285  0.46209172  0.67362083
   0.69283705  0.39941458  0.70588770
   0.74688002  0.10319748  0.94262658
   0.47960253  0.10276840  0.94728478
   0.57202336  0.56453568  0.08290870
   0.91216357  0.71307529  0.28891231
   0.61536704  0.81603453  0.03898396
   0.88493900  0.95587254  0.34153737
   0.92671898  0.89555163  0.15214122
   0.68340883  0.84572701  0.22009306
   0.80784820  0.66324010  0.45612108
   0.57078042  0.55309006  0.39357378
   0.61567069  0.58933186  0.57561679
   0.82564562  0.68574639  0.79185904
   0.60135476  0.81439418  0.44399974
   0.89641853  0.93533450  0.82559525
   0.92143284  0.83700446  0.65022521
   0.68156433  0.90643068  0.73182006
   0.78509094  0.63805373  0.98214133
   0.55274438  0.64514661  0.89637415
   0.71933320  0.81964719  0.57280609
   0.53323997  0.85896703  0.41273450
   0.89721150  0.25174872  0.06218556
   0.93153980  0.39726409  0.35856547
   0.33229464  0.11463151  0.63601833
   0.33304114  0.65676188  0.69429594
   0.20609889  1.09546894  0.15258379
   0.24651788  1.08374148  0.00054917
   0.62794434  0.31369234  0.86834720
   0.89890039  0.39120976  0.69560880
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852096    0.248315    0.020241
    -0.000000    9.860838   -0.008238
    -0.000000    0.000000   13.961517
   Si   O    H 
    32    64    10
Direct configuration=  1947
   0.15906926  0.18296533 -0.05654120
   0.33349378  0.09003839  0.37351367
   0.14684524  0.41359424  0.09682296
   0.38965388  0.33564431  0.25070159
   0.07181563  0.17377396  0.49595216
   0.40206468  0.11793667  0.84633433
   0.11944448  0.42649334  0.63509722
   0.37158031  0.37281384  0.75429008
   0.14456844  0.67737181 -0.00470980
   0.41053421  0.58277197  0.36918524
   0.08880841  0.89855567  0.14163749
   0.32798166  0.83143202  0.25558895
   0.16208609  0.65249006  0.49392477
   0.38921942  0.62487577  0.86337758
   0.05577396  0.90962468  0.60947837
   0.33087282  0.96721285  0.68166817
   0.61984533  0.14428252  1.00377917
   0.85709719  0.12207586  0.34744274
   0.62465814  0.41200495  0.11978252
   0.88749777  0.29791752  0.16413361
   0.60016146  0.17236686  0.49156617
   0.87123936  0.09024585  0.86480658
   0.59445623  0.43380167  0.61303069
   0.74525731  0.34040700  0.81174219
   0.62312656  0.66547241  0.00450891
   0.91061115  0.60169339  0.37781504
   0.58928011  0.90624942  0.13265367
   0.84856600  0.85810536  0.24628534
   0.63489433  0.65678254  0.46726809
   0.86992545  0.59755944  0.89018925
   0.61786695  0.91586695  0.61844253
   0.83214654  0.83988109  0.74535207
   0.11352081  0.06565150  0.16073340
   0.33965050  0.17992975  0.27046524
   0.16049895  0.33370380 -0.00624931
   0.35909550  0.43113405  0.34540962
   0.53665877  0.36262738  0.20476636
   0.27890572  0.38961206  0.16362240
   0.20842613  0.13255517  0.43971823
  -0.03819111  0.21130298  0.40749180
   0.02534422  0.06386307  0.57293391
   0.46830875  0.23210774  0.77109109
   0.08334216  0.31299235  0.55156590
   0.36616635  0.46147677  0.85302079
   0.44070639  0.43669604  0.65921884
   0.21872386  0.35447486  0.71679192
   0.25266024  0.19030812 -0.14817201
   0.01226470  0.11745628  0.91208820
   0.11693203  0.58054258  0.08601580
   0.40841498  0.70178030  0.28963656
   0.12194819  0.83284146  0.03726295
   0.34762992  0.94281623  0.33799068
   0.43070214  0.88175725  0.16383211
   0.17065737  0.80917492  0.22630355
   0.32037694  0.66433318  0.44980892
   0.06111853  0.59243539  0.41671288
   0.19233342  0.55414039  0.58502309
   0.31855803  0.68444882  0.76849487
   0.10887730  0.80640766  0.52346724
   0.38172743  0.97336968  0.79349761
   0.45296372  0.88699010  0.62622517
   0.17069620  0.92185177  0.69170987
   0.29984316  0.68015081 -0.04638798
   0.02612984  0.63867997  0.92091961
   0.62239158  0.05967984  0.10547422
   0.84014408  0.18567927  0.24142062
   0.60049944  0.30391928  0.03411047
   0.85645141  0.45979112  0.33604321
   0.04016790  0.35877682  0.17519341
   0.77919921  0.43026649  0.15605972
   0.72204251  0.14163086  0.40985491
   0.45581351  0.13266208  0.44923877
   0.62643452  0.07807118  0.58800260
   0.82823991  0.20058374  0.77782070
   0.61220381  0.32182537  0.52770442
   0.84735383  0.43537323  0.87490269
   0.95979221  0.46206454  0.67321537
   0.69357075  0.39887882  0.70662858
   0.74724074  0.10296111  0.94149943
   0.47995144  0.10508604  0.94791953
   0.57226788  0.56631594  0.08360377
   0.91379289  0.71304117  0.28917693
   0.61477192  0.81677520  0.03797168
   0.88507381  0.95410718  0.34130939
   0.92647918  0.89518205  0.15223101
   0.68394545  0.84585157  0.22129897
   0.80837532  0.66100353  0.45581151
   0.56950743  0.55542143  0.39421482
   0.61490426  0.59024563  0.57555420
   0.82755918  0.68383098  0.79058966
   0.60046949  0.81514263  0.44331528
   0.89754641  0.93428642  0.82598298
   0.92245979  0.83598332  0.65033181
   0.68244825  0.90740021  0.73093961
   0.78403173  0.63756785  0.98327013
   0.55130784  0.64532150  0.89573259
   0.71758137  0.82032753  0.57590741
   0.52711470  0.85806691  0.41298021
   0.89448061  0.26014567  0.06350314
   0.92879444  0.39590286  0.35760975
   0.32717758  0.10648092  0.64131319
   0.33425980  0.66577198  0.70167806
   0.21372622  1.09040092  0.14850109
   0.24882008  1.07930224 -0.00373054
   0.62716151  0.31773456  0.86358146
   0.89639506  0.39279556  0.69652564
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853043    0.250978    0.020288
    -0.000000    9.858854   -0.008327
    -0.000000    0.000000   13.961876
   Si   O    H 
    32    64    10
Direct configuration=  1948
   0.15913043  0.18225951 -0.05636654
   0.33451142  0.09003535  0.37411147
   0.14689007  0.41334100  0.09723544
   0.39051214  0.33581695  0.24989191
   0.07247843  0.17523341  0.49623083
   0.40186156  0.11926682  0.84688893
   0.11968838  0.42718641  0.63586303
   0.37130094  0.37170182  0.75420504
   0.14447027  0.67593990 -0.00502675
   0.41156619  0.58303401  0.36887129
   0.09004814  0.89948337  0.14215711
   0.32894686  0.83176666  0.25617587
   0.16241623  0.65168666  0.49415402
   0.38759394  0.62498805  0.86281675
   0.05445475  0.91178930  0.60939005
   0.33098392  0.96611494  0.68142083
   0.61952084  0.14389603  1.00411140
   0.85534874  0.12358873  0.34690662
   0.62653197  0.41289961  0.12050245
   0.88707792  0.29731575  0.16443356
   0.60173167  0.17224570  0.49206061
   0.86930695  0.09019824  0.86424089
   0.59421120  0.43366334  0.61265230
   0.74691573  0.34146457  0.81197727
   0.62241637  0.66648726  0.00484975
   0.91074266  0.60360882  0.37734323
   0.58857153  0.90602564  0.13347869
   0.84932131  0.85666680  0.24517872
   0.63610929  0.65748544  0.46673130
   0.86878602  0.59829600  0.88876464
   0.61752832  0.91486626  0.61820064
   0.83268178  0.83927682  0.74594510
   0.11323963  0.06539346  0.16134934
   0.34172368  0.17973294  0.27055491
   0.16137907  0.33508997 -0.00626916
   0.36040985  0.42981490  0.34590309
   0.53652147  0.36249832  0.20518335
   0.27727267  0.39131501  0.16343378
   0.20728620  0.13061720  0.43921756
  -0.03759924  0.20954216  0.40766189
   0.02802453  0.06337845  0.57283207
   0.46878905  0.23214045  0.77172057
   0.08170822  0.31261716  0.55269674
   0.36434122  0.46178669  0.85296076
   0.44092562  0.43500869  0.65891721
   0.21787755  0.35427337  0.71533078
   0.25173144  0.19048443 -0.14858751
   0.01359982  0.11682621  0.91144572
   0.11666154  0.58127786  0.08578182
   0.41106997  0.70056685  0.28778484
   0.12194270  0.83309373  0.03713800
   0.34873949  0.94474684  0.33691600
   0.42995196  0.88303578  0.16313605
   0.17026079  0.80848929  0.22614648
   0.32145329  0.66470487  0.44897222
   0.06048047  0.59084723  0.41601492
   0.19307999  0.55408071  0.58455663
   0.31833076  0.68350886  0.76863620
   0.11007285  0.80700898  0.52538565
   0.38164996  0.97297056  0.79479877
   0.45395836  0.88678408  0.62714085
   0.17135047  0.92144904  0.69127666
   0.29911162  0.67909741 -0.04626549
   0.02437943  0.64048072  0.92123965
   0.62274948  0.06151366  0.10406135
   0.84060513  0.18501908  0.24203836
   0.59937340  0.30430157  0.03345567
   0.85631732  0.45838788  0.33686807
   0.03969577  0.35896626  0.17621516
   0.77844050  0.42971166  0.15784605
   0.72194719  0.14057885  0.40831139
   0.45566643  0.13271330  0.44814092
   0.62645844  0.07759836  0.58843891
   0.82965897  0.20047249  0.77705850
   0.61201511  0.32179909  0.52735491
   0.84630319  0.43534110  0.87416803
   0.96096134  0.46237279  0.67271579
   0.69414593  0.39901124  0.70769996
   0.74854569  0.10229268  0.94051308
   0.48040133  0.10701860  0.94767685
   0.57259955  0.56667900  0.08440660
   0.91504264  0.71303609  0.28956341
   0.61367966  0.81789596  0.03682418
   0.88457980  0.95315256  0.34085966
   0.92611600  0.89447857  0.15161336
   0.68468415  0.84558163  0.22208727
   0.80838859  0.65838903  0.45540649
   0.56824840  0.55738623  0.39456861
   0.61432151  0.59160448  0.57539341
   0.82901647  0.68246154  0.78863031
   0.59934967  0.81643029  0.44350582
   0.89860402  0.93396602  0.82675974
   0.92326376  0.83465549  0.65007237
   0.68300471  0.90830875  0.72989490
   0.78219567  0.63706189  0.98456386
   0.54849765  0.64646367  0.89518090
   0.71215327  0.81948013  0.58037734
   0.51773958  0.86094068  0.41197749
   0.89029621  0.26514976  0.06410729
   0.92720925  0.39277018  0.35605003
   0.32364266  0.09790204  0.64625671
   0.33275285  0.67425918  0.70780716
   0.20971214  1.08565707  0.14803806
   0.24480508  1.07610588 -0.00620681
   0.62215932  0.32451218  0.86033504
   0.90020105  0.39417703  0.69446669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854541    0.253317    0.020479
    -0.000000    9.857232   -0.008876
    -0.000000    0.000000   13.962329
   Si   O    H 
    32    64    10
Direct configuration=  1949
   0.15855292  0.18123820 -0.05597269
   0.33602440  0.09016682  0.37479456
   0.14728140  0.41364884  0.09772013
   0.39069794  0.33673549  0.24914823
   0.07334503  0.17694681  0.49645251
   0.40275360  0.12054548  0.84766546
   0.12009284  0.42780893  0.63635307
   0.37103406  0.37095500  0.75449543
   0.14429847  0.67500824 -0.00532748
   0.41270844  0.58306854  0.36849890
   0.09145261  0.90008211  0.14227903
   0.32929687  0.83200534  0.25661620
   0.16272092  0.65131280  0.49434309
   0.38657972  0.62535328  0.86271970
   0.05277216  0.91276345  0.60906692
   0.33084541  0.96471850  0.68169773
   0.61890552  0.14357005  1.00429624
   0.85391352  0.12475376  0.34622775
   0.62847041  0.41307929  0.12086828
   0.88644064  0.29705729  0.16469304
   0.60354903  0.17252508  0.49252179
   0.86796746  0.08987092  0.86425774
   0.59406244  0.43379481  0.61232510
   0.74802380  0.34228205  0.81219805
   0.62182134  0.66734147  0.00475832
   0.91063687  0.60570360  0.37698939
   0.58820610  0.90547229  0.13427737
   0.84945433  0.85503977  0.24428615
   0.63832629  0.65830673  0.46670100
   0.86747827  0.59922980  0.88767741
   0.61649952  0.91425812  0.61778895
   0.83329287  0.83829680  0.74663331
   0.11266346  0.06589597  0.16207673
   0.34355620  0.17956936  0.27108349
   0.16198828  0.33609966 -0.00576406
   0.36127483  0.42881386  0.34627495
   0.53671752  0.36144845  0.20558727
   0.27681105  0.39240645  0.16351478
   0.20551903  0.12828440  0.44004566
  -0.03667458  0.20892066  0.40809636
   0.03017880  0.06253982  0.57283377
   0.46872642  0.23195851  0.77287065
   0.07979589  0.31316040  0.55451827
   0.36275071  0.46146659  0.85294687
   0.44206263  0.43434996  0.65849570
   0.21753563  0.35479395  0.71361495
   0.25153244  0.19102523 -0.14944506
   0.01489794  0.11718393  0.91110416
   0.11678512  0.58120025  0.08559500
   0.41311835  0.69938629  0.28612863
   0.12198096  0.83383324  0.03702024
   0.35030183  0.94623668  0.33596749
   0.42904028  0.88349299  0.16294905
   0.16966924  0.80765076  0.22548175
   0.32150649  0.66517657  0.44849492
   0.05972192  0.58970602  0.41555445
   0.19354491  0.55359379  0.58433743
   0.31727735  0.68283070  0.77017850
   0.11072526  0.80651111  0.52723900
   0.38221267  0.97212486  0.79656902
   0.45486506  0.88677156  0.62760924
   0.17185074  0.92070212  0.69102648
   0.29811024  0.67715260 -0.04655496
   0.02253713  0.64220366  0.92142001
   0.62381201  0.06272790  0.10225961
   0.84082886  0.18458698  0.24236068
   0.59831573  0.30465660  0.03266903
   0.85706012  0.45768524  0.33750101
   0.03965065  0.35935898  0.17692452
   0.77825990  0.42956907  0.15985598
   0.72057800  0.13987476  0.40749210
   0.45528571  0.13307984  0.44663445
   0.62683190  0.07677053  0.58884763
   0.83130873  0.20025132  0.77623039
   0.61134466  0.32207159  0.52680864
   0.84612006  0.43537354  0.87336075
   0.96252905  0.46303620  0.67276793
   0.69504847  0.39835902  0.70904081
   0.75012717  0.10047912  0.93914283
   0.48144833  0.10920548  0.94779287
   0.57201570  0.56606371  0.08537692
   0.91562545  0.71314414  0.29016826
   0.61261616  0.81979682  0.03650057
   0.88403842  0.95249130  0.33963665
   0.92637777  0.89352286  0.15048293
   0.68516633  0.84569931  0.22278446
   0.80857297  0.65490373  0.45493118
   0.56683574  0.55880568  0.39509301
   0.61405475  0.59252261  0.57484932
   0.83075125  0.68104127  0.78655776
   0.59768385  0.81737150  0.44349405
   0.89964874  0.93353601  0.82758296
   0.92515144  0.83359605  0.64972566
   0.68311466  0.90967850  0.72885763
   0.78064902  0.63666233  0.98570482
   0.54544573  0.64728791  0.89420672
   0.70659073  0.81620006  0.58268567
   0.51544008  0.86286478  0.41258639
   0.88481576  0.26482092  0.06217709
   0.92586768  0.38859717  0.35323270
   0.31926631  0.09299754  0.64932866
   0.33890653  0.67881290  0.69654183
   0.20186338  1.08491967  0.15188741
   0.23650859  1.07369701 -0.00755559
   0.61282162  0.33153857  0.85827918
   0.90444233  0.39368465  0.69176316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855817    0.255791    0.020056
    -0.000000    9.855508   -0.009259
    -0.000000    0.000000   13.962401
   Si   O    H 
    32    64    10
Direct configuration=  1950
   0.15865946  0.18001609 -0.05563813
   0.33705150  0.09108512  0.37561658
   0.14754608  0.41395559  0.09777121
   0.39012016  0.33790475  0.24874452
   0.07365702  0.17830513  0.49682589
   0.40402150  0.12124509  0.84837432
   0.11993057  0.42807672  0.63626923
   0.37050267  0.37050338  0.75452252
   0.14422245  0.67421564 -0.00579702
   0.41365606  0.58362879  0.36755052
   0.09219907  0.90052878  0.14219601
   0.32981226  0.83243124  0.25715266
   0.16354441  0.65096688  0.49436696
   0.38599328  0.62516305  0.86308747
   0.05146368  0.91360915  0.60914764
   0.33074673  0.96312385  0.68190384
   0.61886796  0.14368358  1.00455814
   0.85332224  0.12523991  0.34536069
   0.62981732  0.41329184  0.12067695
   0.88593042  0.29729425  0.16488488
   0.60553272  0.17177838  0.49265172
   0.86674667  0.09009199  0.86379856
   0.59370795  0.43466701  0.61168621
   0.74840985  0.34238189  0.81219336
   0.62129625  0.66818784  0.00473386
   0.91034680  0.60725204  0.37642286
   0.58771725  0.90488374  0.13503839
   0.84965054  0.85368518  0.24359809
   0.64029925  0.65919131  0.46705454
   0.86634840  0.60086997  0.88697357
   0.61560712  0.91405710  0.61738704
   0.83337255  0.83712364  0.74688065
   0.11179191  0.06506700  0.16249199
   0.34560430  0.17950591  0.27241884
   0.16216073  0.33625475 -0.00496119
   0.36214833  0.42828089  0.34681663
   0.53665701  0.36056561  0.20646608
   0.27769842  0.39261055  0.16332572
   0.20404946  0.12506343  0.44077994
  -0.03500698  0.20822180  0.40861013
   0.03230841  0.06187862  0.57272954
   0.46857272  0.23198588  0.77397329
   0.07782743  0.31322036  0.55599903
   0.36203291  0.46114079  0.85275582
   0.44323654  0.43388981  0.65793522
   0.21661860  0.35567036  0.71194484
   0.25112080  0.19213953 -0.15039088
   0.01594407  0.11877881  0.91110187
   0.11762070  0.58127817  0.08530936
   0.41534141  0.69842499  0.28462254
   0.12125498  0.83371290  0.03633087
   0.35071776  0.94688082  0.33527408
   0.42799609  0.88453712  0.16325114
   0.16915100  0.80706119  0.22506634
   0.32090648  0.66593124  0.44820733
   0.05953995  0.58800610  0.41560898
   0.19399972  0.55307863  0.58376210
   0.31610182  0.68356222  0.77076562
   0.11190852  0.80602790  0.52895200
   0.38276263  0.97196850  0.79865079
   0.45553919  0.88584230  0.62769252
   0.17217055  0.92028138  0.69091518
   0.29768274  0.67521955 -0.04637511
   0.02041204  0.64417336  0.92201061
   0.62385901  0.06342863  0.10114277
   0.84144957  0.18483327  0.24277204
   0.59824767  0.30477828  0.03119294
   0.85778230  0.45750072  0.33822334
   0.03891940  0.35934001  0.17741975
   0.77772275  0.43007617  0.16210134
   0.71945800  0.13883690  0.40675432
   0.45486238  0.13299464  0.44541819
   0.62727542  0.07557182  0.58915136
   0.83270627  0.19959596  0.77600060
   0.61071209  0.32358989  0.52646176
   0.84584132  0.43569203  0.87279343
   0.96445519  0.46412118  0.67297213
   0.69537409  0.39748257  0.70944273
   0.75085193  0.09855293  0.93769139
   0.48337949  0.11205421  0.94751127
   0.56989511  0.56576458  0.08673151
   0.91481216  0.71357999  0.29091357
   0.61164160  0.82138426  0.03620727
   0.88309693  0.95205647  0.33833153
   0.92697664  0.89305932  0.14886246
   0.68578211  0.84531831  0.22309624
   0.80827838  0.65230408  0.45439619
   0.56613463  0.55971402  0.39562242
   0.61419272  0.59384461  0.57397183
   0.83161288  0.67920685  0.78524677
   0.59600270  0.81805539  0.44310902
   0.90008038  0.93307348  0.82793348
   0.92765106  0.83299092  0.64938633
   0.68353133  0.91025598  0.72821795
   0.77895027  0.63641505  0.98641865
   0.54272990  0.64749566  0.89358810
   0.70611052  0.81056973  0.57840179
   0.51790258  0.86052760  0.41404261
   0.87803629  0.25974271  0.06135008
   0.92268188  0.37995851  0.35251121
   0.31630192  0.09886599  0.64778852
   0.34084569  0.68227686  0.69296300
   0.20860388  1.08840882  0.15077365
   0.22749079  1.07401601 -0.00589351
   0.60664009  0.33702045  0.85745721
   0.90363411  0.38680818  0.68857473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857137    0.257454    0.019635
    -0.000000    9.853583   -0.010101
    -0.000000    0.000000   13.961862
   Si   O    H 
    32    64    10
Direct configuration=  1951
   0.15859807  0.17870847 -0.05518300
   0.33827816  0.09231724  0.37621208
   0.14791775  0.41478484  0.09775614
   0.38909890  0.33884045  0.24837606
   0.07352872  0.17969428  0.49739798
   0.40540892  0.12213081  0.84910483
   0.11937982  0.42852817  0.63634380
   0.36995607  0.36989610  0.75460157
   0.14388551  0.67382745 -0.00590824
   0.41425835  0.58452551  0.36651112
   0.09251402  0.90092973  0.14142240
   0.33111215  0.83314930  0.25738400
   0.16430139  0.65133433  0.49471472
   0.38548213  0.62466564  0.86332048
   0.05018899  0.91436072  0.60890403
   0.33051352  0.96220636  0.68251508
   0.61949267  0.14383746  1.00454572
   0.85302949  0.12571554  0.34454307
   0.63007809  0.41340007  0.12027921
   0.88603991  0.29712879  0.16529561
   0.60744813  0.17053620  0.49297026
   0.86594335  0.09026927  0.86334894
   0.59372516  0.43512842  0.61115049
   0.74869544  0.34198662  0.81247775
   0.62054199  0.66869137  0.00429145
   0.91011542  0.60872245  0.37558610
   0.58711826  0.90431025  0.13566136
   0.84979529  0.85165902  0.24339748
   0.64191783  0.66061652  0.46774485
   0.86600898  0.60192394  0.88602207
   0.61497869  0.91409957  0.61746519
   0.83362835  0.83595582  0.74717148
   0.11118733  0.06374630  0.16278246
   0.34652522  0.17971460  0.27324922
   0.16125047  0.33619511 -0.00463576
   0.36292304  0.42899981  0.34757866
   0.53759208  0.36021967  0.20713952
   0.27943076  0.39318755  0.16347021
   0.20284452  0.12241616  0.44084141
  -0.03324408  0.20755155  0.40896779
   0.03407091  0.06187694  0.57250843
   0.46882381  0.23252840  0.77443237
   0.07593400  0.31348094  0.55709269
   0.36141772  0.45986850  0.85307302
   0.44552188  0.43350002  0.65766688
   0.21547901  0.35750006  0.71041692
   0.25079369  0.19256796 -0.15126958
   0.01661466  0.11972705  0.91141467
   0.11838801  0.58094002  0.08538002
   0.41782464  0.69777040  0.28318898
   0.11976697  0.83317280  0.03584042
   0.35119414  0.94744556  0.33502136
   0.42665622  0.88523085  0.16381999
   0.16944685  0.80648420  0.22480825
   0.32042125  0.66607695  0.44831347
   0.05941381  0.58638447  0.41595103
   0.19421115  0.55215516  0.58361512
   0.31515066  0.68543287  0.77055104
   0.11228005  0.80537010  0.53011725
   0.38321155  0.97208077  0.80094387
   0.45620842  0.88457389  0.62762778
   0.17317327  0.91981430  0.69075427
   0.29712529  0.67388887 -0.04647844
   0.01803096  0.64597589  0.92180333
   0.62300908  0.06298396  0.10089876
   0.84217730  0.18582890  0.24261202
   0.59983654  0.30546713  0.03029627
   0.85882259  0.45790506  0.33931035
   0.03751738  0.35854725  0.17820148
   0.77745812  0.43106442  0.16403428
   0.71790944  0.13809066  0.40632169
   0.45497197  0.13257504  0.44458771
   0.62676341  0.07385233  0.58889547
   0.83398898  0.19901171  0.77570381
   0.61032373  0.32463279  0.52663701
   0.84602550  0.43633988  0.87216959
   0.96522422  0.46556264  0.67350685
   0.69511602  0.39659721  0.71015462
   0.75018237  0.09725610  0.93701434
   0.48575357  0.11439577  0.94706459
   0.56749008  0.56612379  0.08816860
   0.91374474  0.71387166  0.29141951
   0.60982671  0.82318271  0.03652602
   0.88206850  0.95237170  0.33732442
   0.92728060  0.89175692  0.14715398
   0.68599436  0.84533807  0.22323536
   0.80759215  0.65097663  0.45413535
   0.56521149  0.56081146  0.39528266
   0.61524291  0.59514119  0.57305640
   0.83285285  0.67840905  0.78471794
   0.59519851  0.81874320  0.44298893
   0.90018930  0.93288868  0.82810046
   0.92970006  0.83268053  0.64986165
   0.68492009  0.91067613  0.72820411
   0.77868899  0.63650266  0.98672933
   0.54079414  0.64793413  0.89314913
   0.70671266  0.80523507  0.57545693
   0.51957028  0.85639426  0.41750065
   0.86991973  0.25179158  0.06212605
   0.91757425  0.37665131  0.35256197
   0.31605116  0.10576677  0.64565711
   0.34006230  0.68347356  0.69909308
   0.20880352  1.09159290  0.15203751
   0.21600683  1.07204021 -0.00034911
   0.60741782  0.34431071  0.85698058
   0.90634457  0.38157277  0.68101371
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858462    0.258970    0.020020
    -0.000000    9.851465   -0.010845
    -0.000000    0.000000   13.961078
   Si   O    H 
    32    64    10
Direct configuration=  1952
   0.15843405  0.17820231 -0.05492724
   0.33965915  0.09335660  0.37680537
   0.14846595  0.41533495  0.09819127
   0.38748245  0.33946821  0.24785824
   0.07337054  0.18080462  0.49797882
   0.40633295  0.12340942  0.84987497
   0.11832391  0.42942754  0.63626654
   0.37013864  0.36945792  0.75481492
   0.14372410  0.67434393 -0.00604397
   0.41463788  0.58557910  0.36603820
   0.09262598  0.90189764  0.14093233
   0.33276673  0.83374765  0.25743037
   0.16574089  0.65148513  0.49503108
   0.38467041  0.62418536  0.86354720
   0.04939075  0.91440826  0.60839759
   0.33022714  0.96121199  0.68362197
   0.62053948  0.14391001  1.00472621
   0.85266528  0.12579692  0.34426709
   0.62993820  0.41326666  0.12015704
   0.88662613  0.29753126  0.16547888
   0.60862683  0.16879032  0.49250918
   0.86575801  0.08981084  0.86254952
   0.59365779  0.43603050  0.61096981
   0.74852499  0.34149291  0.81237049
   0.61934123  0.66874179  0.00388331
   0.91026306  0.60962564  0.37479752
   0.58640662  0.90362477  0.13604829
   0.84946877  0.85002051  0.24335114
   0.64401420  0.66206287  0.46835997
   0.86552049  0.60312108  0.88542534
   0.61445746  0.91363666  0.61782773
   0.83411227  0.83484770  0.74711740
   0.11118693  0.06289311  0.16301754
   0.34814391  0.17964304  0.27421780
   0.16113766  0.33577495 -0.00484314
   0.36349775  0.43035546  0.34855797
   0.53822907  0.35968017  0.20757015
   0.28224011  0.39211240  0.16395631
   0.20134299  0.11986278  0.44071459
  -0.03191758  0.20693293  0.40876138
   0.03536169  0.06154980  0.57207873
   0.46836350  0.23247831  0.77468471
   0.07461398  0.31417262  0.55808682
   0.36107841  0.45876665  0.85368698
   0.44763563  0.43295646  0.65744705
   0.21512337  0.35879376  0.70913289
   0.25093253  0.19289965 -0.15212527
   0.01650812  0.12089597  0.91190939
   0.11910823  0.58005862  0.08513205
   0.42017217  0.69661646  0.28217246
   0.11882446  0.83203048  0.03571920
   0.35122485  0.94742551  0.33482247
   0.42550598  0.88590851  0.16457969
   0.17016555  0.80648792  0.22473651
   0.32103349  0.66600101  0.44851802
   0.05958763  0.58392470  0.41706079
   0.19438510  0.55203196  0.58337673
   0.31365893  0.68830262  0.76962817
   0.11274171  0.80428681  0.53097740
   0.38309028  0.97193328  0.80331171
   0.45627992  0.88279568  0.62764691
   0.17409411  0.91850288  0.69013205
   0.29571228  0.67243468 -0.04626962
   0.01594965  0.64735861  0.92203209
   0.62261191  0.06161195  0.10118316
   0.84311351  0.18690692  0.24269350
   0.60167919  0.30554918  0.02977364
   0.86045182  0.45938189  0.34060735
   0.03652732  0.35780280  0.17868229
   0.77753746  0.43233862  0.16575724
   0.71657763  0.13736661  0.40661952
   0.45573778  0.13276130  0.44458595
   0.62676549  0.07228036  0.58789908
   0.83550154  0.19877872  0.77593608
   0.60974624  0.32620305  0.52677416
   0.84674861  0.43702742  0.87167026
   0.96611568  0.46682361  0.67463697
   0.69415602  0.39675402  0.71045652
   0.74891511  0.09649541  0.93735571
   0.48776685  0.11612870  0.94672917
   0.56589879  0.56588744  0.08975659
   0.91312335  0.71453898  0.29107708
   0.60829636  0.82468672  0.03697304
   0.88127328  0.95371895  0.33644722
   0.92766390  0.88989358  0.14606959
   0.68622050  0.84517741  0.22296291
   0.80653164  0.65031662  0.45406144
   0.56463086  0.56205665  0.39454874
   0.61597032  0.59587570  0.57237141
   0.83425530  0.67793067  0.78449512
   0.59526318  0.81948704  0.44237374
   0.90067246  0.93289818  0.82840757
   0.93120780  0.83174527  0.65060218
   0.68581289  0.91134981  0.72790347
   0.77859515  0.63665638  0.98731673
   0.53967566  0.64901980  0.89311460
   0.70643967  0.80330111  0.57489820
   0.50790521  0.85833728  0.41724759
   0.86333757  0.24161465  0.06321460
   0.91188713  0.38053756  0.35249254
   0.31912597  0.11144486  0.64173938
   0.33979142  0.68727804  0.71219672
   0.20162759  1.09433086  0.15435895
   0.20672050  1.06573375  0.00656391
   0.61521003  0.35161296  0.85888965
   0.91399398  0.38448671  0.67505284
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859698    0.260774    0.020572
    -0.000000    9.849286   -0.011630
    -0.000000    0.000000   13.960264
   Si   O    H 
    32    64    10
Direct configuration=  1953
   0.15788750  0.17710718 -0.05441961
   0.34075506  0.09449030  0.37687935
   0.14873731  0.41594091  0.09859259
   0.38596596  0.34010047  0.24749167
   0.07367708  0.18220530  0.49859376
   0.40692872  0.12436150  0.85011375
   0.11688686  0.43008498  0.63614548
   0.37030197  0.36892189  0.75471217
   0.14327191  0.67530809 -0.00608468
   0.41523569  0.58591933  0.36616592
   0.09331464  0.90246335  0.14046548
   0.33445447  0.83472907  0.25782635
   0.16764667  0.65147949  0.49512976
   0.38471563  0.62370955  0.86383997
   0.04913554  0.91430007  0.60786874
   0.32971277  0.96094464  0.68473877
   0.62255854  0.14385377  1.00473316
   0.85273768  0.12592565  0.34417843
   0.62969397  0.41325708  0.11987019
   0.88713445  0.29828800  0.16552158
   0.60975185  0.16741677  0.49158893
   0.86604390  0.08977461  0.86189182
   0.59360660  0.43682670  0.61145270
   0.74821158  0.34111825  0.81203944
   0.61786740  0.66877971  0.00369007
   0.91018588  0.60954202  0.37380476
   0.58511095  0.90332825  0.13684389
   0.84902268  0.84873014  0.24329864
   0.64501621  0.66301962  0.46920915
   0.86545683  0.60449070  0.88541461
   0.61492623  0.91339748  0.61788222
   0.83379767  0.83359753  0.74733656
   0.11102106  0.06217063  0.16312655
   0.35012618  0.17938526  0.27481730
   0.16125186  0.33551832 -0.00489419
   0.36439151  0.43228272  0.34914314
   0.53879532  0.35921755  0.20839524
   0.28491408  0.39098730  0.16413777
   0.20080394  0.11748785  0.44016160
  -0.03082267  0.20748377  0.40874456
   0.03641100  0.06186530  0.57154598
   0.46738069  0.23236929  0.77486142
   0.07370313  0.31457666  0.55890666
   0.36198985  0.45778537  0.85451631
   0.44914657  0.43227552  0.65746085
   0.21480265  0.36045587  0.70883363
   0.25175466  0.19330878 -0.15286490
   0.01632486  0.12176124  0.91269501
   0.12032383  0.57854404  0.08570531
   0.42164894  0.69613302  0.28176115
   0.11904266  0.83123414  0.03536518
   0.35197312  0.94687775  0.33441580
   0.42494586  0.88633880  0.16553926
   0.17074432  0.80675877  0.22490083
   0.32220817  0.66637910  0.44878627
   0.06025446  0.58183764  0.41843678
   0.19505774  0.55192495  0.58399854
   0.31254759  0.69133803  0.77046427
   0.11277039  0.80246920  0.53192664
   0.38267300  0.97208889  0.80515322
   0.45622366  0.88039496  0.62760486
   0.17519574  0.91675081  0.68933905
   0.29494330  0.67030415 -0.04581995
   0.01459460  0.64826440  0.92259895
   0.62171104  0.06026918  0.10188845
   0.84332529  0.18807575  0.24217712
   0.60356251  0.30550799  0.02948004
   0.86173640  0.46133602  0.34132794
   0.03574440  0.35707861  0.17876540
   0.77759592  0.43308720  0.16740288
   0.71512669  0.13664153  0.40689883
   0.45781538  0.13236475  0.44444682
   0.62619075  0.07039533  0.58665091
   0.83637579  0.19862201  0.77611669
   0.60908361  0.32765494  0.52716190
   0.84742535  0.43760902  0.87093187
   0.96696095  0.46724763  0.67595979
   0.69282383  0.39705840  0.70944966
   0.74671928  0.09590690  0.93794173
   0.48878222  0.11804099  0.94677784
   0.56450260  0.56597569  0.09123415
   0.91227091  0.71476166  0.29046336
   0.60699962  0.82585983  0.03713604
   0.88037737  0.95568299  0.33580537
   0.92758360  0.88815457  0.14496553
   0.68683343  0.84514402  0.22227427
   0.80498351  0.64995853  0.45389168
   0.56426651  0.56304092  0.39448277
   0.61749466  0.59540432  0.57208447
   0.83528215  0.67722878  0.78382025
   0.59511866  0.82033841  0.44150624
   0.90117476  0.93218499  0.82835181
   0.93185152  0.83019951  0.65135554
   0.68713764  0.91171220  0.72741551
   0.77880732  0.63626507  0.98733280
   0.53866768  0.65038439  0.89331535
   0.70415500  0.80608397  0.57460077
   0.50205559  0.85705641  0.41871724
   0.85525103  0.23374719  0.06548725
   0.91202922  0.37857313  0.35555570
   0.32137751  0.10945751  0.63788475
   0.35333701  0.69111044  0.69971000
   0.19796517  1.09854780  0.15986044
   0.19992850  1.05858329  0.00852432
   0.62463508  0.35597360  0.86280940
   0.91922384  0.38961051  0.67128646
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860714    0.262747    0.020566
    -0.000000    9.847211   -0.012470
    -0.000000    0.000000   13.959527
   Si   O    H 
    32    64    10
Direct configuration=  1954
   0.15794308  0.17580232 -0.05403201
   0.34164664  0.09582719  0.37625277
   0.14922111  0.41674716  0.09886807
   0.38449052  0.34076673  0.24712175
   0.07408930  0.18404198  0.49897342
   0.40716603  0.12547959  0.85011466
   0.11562523  0.42988560  0.63586006
   0.37006589  0.36815850  0.75419157
   0.14287567  0.67618635 -0.00625795
   0.41540708  0.58575124  0.36688999
   0.09348714  0.90256378  0.13978938
   0.33609884  0.83608744  0.25763575
   0.16988861  0.65185333  0.49502276
   0.38473666  0.62311185  0.86392516
   0.04968170  0.91362935  0.60730712
   0.32994238  0.96128962  0.68627009
   0.62450141  0.14449378  1.00480439
   0.85279613  0.12523501  0.34467444
   0.62958323  0.41302284  0.11951665
   0.88752604  0.29913271  0.16537985
   0.61065022  0.16635660  0.49089801
   0.86670993  0.08863509  0.86155967
   0.59368167  0.43770017  0.61147417
   0.74792314  0.34054954  0.81177384
   0.61657616  0.66814112  0.00331434
   0.90997140  0.60880459  0.37293210
   0.58399646  0.90328423  0.13758958
   0.84834479  0.84709396  0.24314179
   0.64592950  0.66419561  0.46993051
   0.86531602  0.60550133  0.88554809
   0.61533306  0.91330366  0.61793928
   0.83352830  0.83318618  0.74752316
   0.11097637  0.06160586  0.16311428
   0.35125839  0.18002533  0.27548817
   0.16117965  0.33532141 -0.00560604
   0.36550780  0.43359531  0.34973510
   0.53924989  0.35907725  0.21000237
   0.28748310  0.39082386  0.16447594
   0.20087253  0.11601483  0.43993368
  -0.03022547  0.20759324  0.40832437
   0.03707979  0.06203351  0.57101898
   0.46669768  0.23129996  0.77524864
   0.07318634  0.31538991  0.55946718
   0.36303628  0.45685489  0.85527774
   0.45055214  0.43120198  0.65793616
   0.21408558  0.36172343  0.70893987
   0.25216772  0.19368078 -0.15349961
   0.01525428  0.12254936  0.91389390
   0.12160551  0.57788938  0.08672233
   0.42206022  0.69608577  0.28140589
   0.11866017  0.83081111  0.03448959
   0.35203604  0.94533780  0.33431603
   0.42464387  0.88724576  0.16619854
   0.17185961  0.80722490  0.22491787
   0.32319758  0.66665851  0.44936826
   0.06101807  0.58117587  0.41938076
   0.19522960  0.55200792  0.58479322
   0.31208305  0.69452035  0.77061467
   0.11301516  0.80087098  0.53268170
   0.38257137  0.97239394  0.80650694
   0.45572043  0.87790090  0.62787426
   0.17598871  0.91591440  0.68876926
   0.29506169  0.66825994 -0.04522173
   0.01376591  0.64985977  0.92314513
   0.62032278  0.05832099  0.10311262
   0.84396957  0.18997737  0.24115713
   0.60576367  0.30573753  0.02937834
   0.86309288  0.46334759  0.34147767
   0.03634256  0.35681625  0.17911746
   0.77761397  0.43358698  0.16861054
   0.71379612  0.13587485  0.40750186
   0.46049416  0.13233933  0.44405825
   0.62642026  0.06889077  0.58490122
   0.83773779  0.19830204  0.77652898
   0.60900560  0.32858334  0.52794359
   0.84868058  0.43836327  0.87068302
   0.96813833  0.46825574  0.67737061
   0.69189767  0.39706943  0.70781696
   0.74448730  0.09472091  0.93811860
   0.48911824  0.11980795  0.94754004
   0.56274722  0.56509460  0.09219833
   0.91165171  0.71533896  0.28973118
   0.60519246  0.82611412  0.03648935
   0.88011357  0.95729844  0.33524654
   0.92696298  0.88689702  0.14381325
   0.68724536  0.84481760  0.22151299
   0.80333506  0.64911514  0.45465673
   0.56504681  0.56341498  0.39480521
   0.61967200  0.59398062  0.57180812
   0.83616172  0.67709217  0.78303043
   0.59418843  0.82079600  0.44053790
   0.90095730  0.93172234  0.82851203
   0.93152909  0.82881067  0.65269596
   0.68873985  0.91197078  0.72726729
   0.77911639  0.63626527  0.98699816
   0.53804405  0.65140639  0.89367391
   0.69967563  0.81299673  0.57542832
   0.50428147  0.85125634  0.42312916
   0.85142531  0.22731472  0.06949134
   0.91432941  0.37493007  0.35924925
   0.32543957  0.10088567  0.63639959
   0.36384451  0.69106646  0.69870387
   0.20201511  1.10703285  0.16596982
   0.19501371  1.05862551  0.00765195
   0.63122450  0.35399076  0.87020886
   0.91558707  0.37837130  0.66682261
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862084    0.264307    0.020274
    -0.000000    9.845394   -0.013449
    -0.000000    0.000000   13.958881
   Si   O    H 
    32    64    10
Direct configuration=  1955
   0.15780077  0.17461363 -0.05390451
   0.34197817  0.09701426  0.37551582
   0.14928760  0.41742864  0.09927341
   0.38318269  0.34139977  0.24691595
   0.07488755  0.18546971  0.49852441
   0.40730427  0.12631369  0.84995887
   0.11471136  0.42959014  0.63578828
   0.36996059  0.36775079  0.75409428
   0.14195022  0.67683580 -0.00680199
   0.41547083  0.58574020  0.36767509
   0.09376788  0.90191135  0.13934400
   0.33751919  0.83706836  0.25736926
   0.17203607  0.65211835  0.49452949
   0.38441326  0.62252365  0.86404999
   0.05119737  0.91265009  0.60726309
   0.33011365  0.96260875  0.68794461
   0.62651548  0.14557791  1.00502278
   0.85304057  0.12392120  0.34516077
   0.62971570  0.41359068  0.11910080
   0.88805253  0.30026372  0.16519226
   0.61095370  0.16541841  0.48999653
   0.86774840  0.08729702  0.86149316
   0.59437906  0.43802077  0.61184543
   0.74734403  0.34006137  0.81097165
   0.61508646  0.66745868  0.00294351
   0.90947031  0.60842711  0.37175429
   0.58272014  0.90368897  0.13834334
   0.84747875  0.84609661  0.24276372
   0.64623420  0.66478206  0.47054327
   0.86471583  0.60617270  0.88607073
   0.61540249  0.91363578  0.61862611
   0.83289065  0.83356158  0.74764282
   0.11125398  0.06235747  0.16325254
   0.35267528  0.18025778  0.27598588
   0.16109852  0.33460757 -0.00610520
   0.36529325  0.43493067  0.34984247
   0.53994322  0.35889499  0.21233147
   0.28972037  0.39128840  0.16482052
   0.20155285  0.11498461  0.43997277
  -0.02978387  0.20677266  0.40715015
   0.03694149  0.06228136  0.57077302
   0.46533813  0.23064993  0.77579132
   0.07285226  0.31630543  0.55992604
   0.36417085  0.45576723  0.85550052
   0.45182884  0.43110576  0.65800663
   0.21406741  0.36333551  0.70913601
   0.25214285  0.19350349 -0.15353810
   0.01322967  0.12328101  0.91418620
   0.12306558  0.57672817  0.08792438
   0.42166734  0.69633335  0.28112255
   0.11822406  0.83049325  0.03320414
   0.35232909  0.94420026  0.33454197
   0.42418855  0.88793402  0.16662789
   0.17301551  0.80730476  0.22498056
   0.32457747  0.66605222  0.44980713
   0.06221945  0.58117505  0.42021439
   0.19582883  0.55227039  0.58537629
   0.31318299  0.69754783  0.76998003
   0.11365675  0.79940643  0.53265317
   0.38254155  0.97190747  0.80725809
   0.45500923  0.87609148  0.62834888
   0.17657125  0.91437386  0.68788749
   0.29537270  0.66638925 -0.04504527
   0.01359045  0.65119254  0.92364567
   0.61891124  0.05656459  0.10441789
   0.84518679  0.19120188  0.24021635
   0.60731086  0.30636103  0.02923976
   0.86456730  0.46434675  0.34102036
   0.03791722  0.35665259  0.17924682
   0.77723752  0.43297302  0.16956410
   0.71330770  0.13622125  0.40830662
   0.46342518  0.13251335  0.44415356
   0.62645931  0.06694945  0.58309185
   0.83809485  0.19853197  0.77717928
   0.60896037  0.32931593  0.52857389
   0.85007462  0.43943591  0.87029338
   0.96839381  0.46892068  0.67921730
   0.69205243  0.39720236  0.70608043
   0.74276585  0.09343198  0.93834208
   0.48922746  0.12192207  0.94831991
   0.56174037  0.56421923  0.09227776
   0.91162022  0.71589309  0.28884372
   0.60449419  0.82641301  0.03566483
   0.88005627  0.95887230  0.33534664
   0.92656633  0.88670745  0.14332102
   0.68700299  0.84476371  0.22144926
   0.80272719  0.64814644  0.45498621
   0.56633394  0.56402908  0.39461469
   0.62150267  0.59185276  0.57151440
   0.83601579  0.67672092  0.78221520
   0.59372504  0.82122957  0.43950808
   0.90011825  0.93099244  0.82852266
   0.93053441  0.82729898  0.65331498
   0.68995491  0.91263334  0.72695067
   0.77904728  0.63657527  0.98627983
   0.53792881  0.65366384  0.89453645
   0.69612049  0.81770693  0.57588378
   0.50612770  0.84543240  0.42719948
   0.85126712  0.22659751  0.07559452
   0.91362750  0.37889502  0.35968206
   0.33151551  0.08890299  0.63581883
   0.36660885  0.69110824  0.70546884
   0.20003664  1.10850673  0.17203556
   0.19741523  1.05991166  0.00554824
   0.63379802  0.34835782  0.87923722
   0.91664396  0.38207127  0.66473902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863297    0.265684    0.018917
    -0.000000    9.843375   -0.013742
    -0.000000    0.000000   13.957881
   Si   O    H 
    32    64    10
Direct configuration=  1956
   0.15698042  0.17336206 -0.05415565
   0.34218709  0.09824473  0.37488824
   0.14954901  0.41806747  0.09981885
   0.38200745  0.34166498  0.24716423
   0.07569750  0.18609458  0.49759415
   0.40638380  0.12710254  0.84964828
   0.11415099  0.42914069  0.63532467
   0.36958366  0.36762147  0.75366974
   0.14091737  0.67764146 -0.00690760
   0.41459386  0.58565731  0.36806768
   0.09394345  0.90110924  0.13895165
   0.33818361  0.83813749  0.25689430
   0.17443406  0.65254446  0.49442472
   0.38406819  0.62237457  0.86413497
   0.05279713  0.91147840  0.60734600
   0.33081279  0.96379518  0.68960687
   0.62796664  0.14608883  1.00538174
   0.85350306  0.12228910  0.34577318
   0.62980405  0.41381924  0.11894322
   0.88849078  0.30184030  0.16497966
   0.61045485  0.16459145  0.48928358
   0.86913290  0.08614972  0.86146068
   0.59530817  0.43855793  0.61258140
   0.74691692  0.34017390  0.80997034
   0.61392894  0.66665713  0.00202034
   0.90918499  0.60815265  0.37100349
   0.58178504  0.90375781  0.13874820
   0.84611226  0.84619555  0.24289824
   0.64658814  0.66581762  0.47030793
   0.86437963  0.60661242  0.88700108
   0.61513405  0.91413606  0.61907585
   0.83276652  0.83386268  0.74765129
   0.11096741  0.06301767  0.16337328
   0.35428053  0.18115276  0.27605622
   0.16074116  0.33417341 -0.00604643
   0.36467735  0.43569438  0.34940781
   0.53979709  0.35839507  0.21426359
   0.29108828  0.39179708  0.16478323
   0.20359170  0.11369701  0.43953066
  -0.02967794  0.20606235  0.40622340
   0.03638443  0.06259922  0.56997260
   0.46399926  0.22973869  0.77579979
   0.07252779  0.31743835  0.56007692
   0.36543600  0.45553157  0.85515675
   0.45258536  0.43120191  0.65870404
   0.21472285  0.36424852  0.70961414
   0.25183022  0.19276687 -0.15392023
   0.01050688  0.12335994  0.91417968
   0.12503525  0.57562193  0.08853404
   0.42042385  0.69711858  0.28058233
   0.11874963  0.82985089  0.03185784
   0.35314221  0.94290167  0.33518121
   0.42403955  0.88854332  0.16694692
   0.17504809  0.80754873  0.22496925
   0.32587603  0.66504875  0.45043697
   0.06364809  0.58136080  0.42078119
   0.19637654  0.55232041  0.58545725
   0.31477762  0.70117191  0.76919344
   0.11328742  0.79823255  0.53252726
   0.38226285  0.97147636  0.80762132
   0.45387274  0.87479393  0.62948937
   0.17681690  0.91253868  0.68664419
   0.29529460  0.66537985 -0.04484597
   0.01287142  0.65193327  0.92361073
   0.61790208  0.05444265  0.10532031
   0.84495451  0.19230104  0.23950670
   0.60777847  0.30721177  0.02904802
   0.86596159  0.46344194  0.34020457
   0.03937847  0.35613123  0.17894714
   0.77700581  0.43205807  0.17041041
   0.71321530  0.13682673  0.40878222
   0.46654295  0.13224646  0.44466368
   0.62702117  0.06425533  0.58142057
   0.83885774  0.19921735  0.77800648
   0.60799387  0.32964452  0.52854484
   0.85098208  0.44043852  0.86948420
   0.96823717  0.46904285  0.68073978
   0.69227727  0.39737902  0.70512640
   0.74210106  0.09244235  0.93807074
   0.48906384  0.12352418  0.94877122
   0.56129023  0.56317926  0.09160036
   0.91089408  0.71612466  0.28822601
   0.60360459  0.82569613  0.03513933
   0.87972961  0.95962932  0.33511058
   0.92571041  0.88689365  0.14358304
   0.68618487  0.84456679  0.22073786
   0.80210765  0.64693360  0.45581685
   0.56827689  0.56469594  0.39464606
   0.62242237  0.58878096  0.57158613
   0.83603468  0.67679020  0.78149939
   0.59362275  0.82223791  0.43982872
   0.89887593  0.92965833  0.82875974
   0.92989216  0.82647784  0.65380070
   0.69119206  0.91265359  0.72683496
   0.77827877  0.63650641  0.98536704
   0.53718189  0.65534405  0.89554107
   0.70074491  0.81379289  0.57238529
   0.49215050  0.84355246  0.42871445
   0.85408842  0.22883655  0.07839704
   0.91809426  0.38632339  0.35873959
   0.33947137  0.08072704  0.63561166
   0.36410746  0.69286653  0.71833856
   0.19336553  1.10400266  0.17885983
   0.20436473  1.06338073  0.00278639
   0.63547928  0.33916574  0.88288835
   0.91931881  0.39321115  0.66633500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.864695    0.266735    0.017368
    -0.000000    9.841324   -0.013292
    -0.000000    0.000000   13.956689
   Si   O    H 
    32    64    10
Direct configuration=  1957
   0.15580484  0.17237332 -0.05444148
   0.34245846  0.09914184  0.37377549
   0.14970635  0.41813010  0.10047207
   0.38123299  0.34178794  0.24758424
   0.07686628  0.18666137  0.49633606
   0.40581228  0.12675957  0.84939894
   0.11408783  0.42873426  0.63529371
   0.36938713  0.36824080  0.75299366
   0.14044258  0.67823132 -0.00739989
   0.41382357  0.58595798  0.36859441
   0.09398708  0.90021587  0.13870327
   0.33864124  0.83823240  0.25543718
   0.17575549  0.65292154  0.49446075
   0.38306229  0.62171401  0.86429514
   0.05403194  0.91000901  0.60745059
   0.33191221  0.96504976  0.69120120
   0.62838800  0.14639289  1.00574632
   0.85415256  0.12087056  0.34603960
   0.62932103  0.41405221  0.11919021
   0.88870178  0.30376135  0.16488524
   0.61030091  0.16375183  0.48889624
   0.87062989  0.08453574  0.86133034
   0.59638946  0.43863209  0.61311610
   0.74643617  0.33982800  0.80909421
   0.61311186  0.66581606  0.00110246
   0.90879649  0.60829070  0.37043556
   0.58150767  0.90296620  0.13891576
   0.84544712  0.84668599  0.24318873
   0.64640986  0.66622582  0.46952295
   0.86426326  0.60676458  0.88784288
   0.61494961  0.91461601  0.62014885
   0.83307109  0.83446020  0.74772659
   0.11072144  0.06309994  0.16340610
   0.35584083  0.18229208  0.27657277
   0.16010213  0.33412721 -0.00574333
   0.36330536  0.43624644  0.34839740
   0.53906841  0.35812523  0.21595733
   0.29272037  0.39281142  0.16420704
   0.20510468  0.11319381  0.43863225
  -0.02948708  0.20476879  0.40520369
   0.03557610  0.06255617  0.56955833
   0.46318260  0.22954920  0.77507093
   0.07230624  0.31756979  0.56007046
   0.36681909  0.45515585  0.85502573
   0.45306319  0.43156878  0.65961434
   0.21579941  0.36495334  0.71092556
   0.25243779  0.19225276 -0.15420333
   0.00783268  0.12373754  0.91409082
   0.12690084  0.57379530  0.08895991
   0.41914035  0.69720723  0.28021538
   0.11870640  0.83035888  0.03073186
   0.35420669  0.94286573  0.33607823
   0.42467052  0.88900351  0.16682312
   0.17739774  0.80774792  0.22499197
   0.32726428  0.66408161  0.45122394
   0.06490610  0.58255824  0.42128120
   0.19661341  0.55251013  0.58646748
   0.31511255  0.70373861  0.76948555
   0.11334214  0.79725359  0.53264754
   0.38214637  0.97176086  0.80781937
   0.45336681  0.87299649  0.63022587
   0.17685752  0.91038932  0.68561746
   0.29454363  0.66478820 -0.04462699
   0.01240617  0.65272835  0.92340241
   0.61774491  0.05317818  0.10589717
   0.84470971  0.19273422  0.23845582
   0.60803426  0.30805151  0.02871403
   0.86635827  0.46192657  0.33876251
   0.04089161  0.35534339  0.17858718
   0.77620829  0.43034477  0.17059693
   0.71438053  0.13663275  0.40872114
   0.46955690  0.13190795  0.44513641
   0.62830358  0.06200102  0.57937304
   0.83908873  0.19916415  0.77897856
   0.60711797  0.32871930  0.52808613
   0.85231686  0.44154131  0.86875227
   0.96862695  0.47014290  0.68225740
   0.69289713  0.39678749  0.70490273
   0.74162319  0.09161567  0.93791137
   0.48897322  0.12465871  0.94957786
   0.56162175  0.56243593  0.08986814
   0.91083512  0.71602558  0.28796244
   0.60227526  0.82440990  0.03526034
   0.87978302  0.96022159  0.33455320
   0.92542946  0.88768093  0.14463754
   0.68597440  0.84462828  0.22002862
   0.80187374  0.64647144  0.45623905
   0.56957050  0.56581133  0.39458221
   0.62316830  0.58563756  0.57204561
   0.83523742  0.67670432  0.78037133
   0.59300388  0.82356855  0.44041176
   0.89709555  0.92915417  0.82876695
   0.92960196  0.82798994  0.65416876
   0.69166475  0.91273565  0.72681129
   0.77726798  0.63629514  0.98474171
   0.53729239  0.65755121  0.89630356
   0.70513325  0.81027493  0.56848140
   0.48684055  0.83950334  0.42853863
   0.85907690  0.23082775  0.07851596
   0.92561185  0.38901961  0.36005993
   0.34518596  0.08066387  0.63196152
   0.37770056  0.68997116  0.71281379
   0.19272688  1.09905503  0.18571324
   0.21615770  1.06485680  0.00110124
   0.64025730  0.33255715  0.88390534
   0.91097936  0.39028997  0.66889469
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866330    0.267774    0.015566
    -0.000000    9.839393   -0.013295
    -0.000000    0.000000   13.955603
   Si   O    H 
    32    64    10
Direct configuration=  1958
   0.15474329  0.17131805 -0.05477684
   0.34282578  0.09982406  0.37264131
   0.15004059  0.41741386  0.10095225
   0.38065795  0.34166947  0.24816605
   0.07804415  0.18714203  0.49557370
   0.40556983  0.12605040  0.84932189
   0.11461021  0.42904797  0.63524443
   0.36887361  0.36875385  0.75204225
   0.13931560  0.67876861 -0.00802008
   0.41256957  0.58620641  0.36885127
   0.09416948  0.89917874  0.13793993
   0.33851305  0.83761210  0.25385328
   0.17621759  0.65325304  0.49484408
   0.38235673  0.62100280  0.86447099
   0.05466594  0.90939894  0.60756798
   0.33373850  0.96582124  0.69255191
   0.62898221  0.14693500  1.00649383
   0.85511210  0.11953356  0.34653301
   0.62806589  0.41367261  0.11936845
   0.88883116  0.30533816  0.16507284
   0.60924667  0.16342284  0.48900166
   0.87173349  0.08353991  0.86144208
   0.59789429  0.43806775  0.61406426
   0.74588173  0.33958438  0.80850691
   0.61307535  0.66513379  0.00004932
   0.90832837  0.60876052  0.36985853
   0.58160521  0.90265283  0.13891226
   0.84471493  0.84734254  0.24328869
   0.64547238  0.66650670  0.46843949
   0.86415024  0.60731269  0.88883999
   0.61534571  0.91434606  0.62116143
   0.83377275  0.83459466  0.74745200
   0.11027996  0.06362846  0.16392921
   0.35721422  0.18398638  0.27697636
   0.15913393  0.33411732 -0.00556230
   0.36200112  0.43676007  0.34766895
   0.53888554  0.35752492  0.21660015
   0.29356687  0.39430856  0.16336601
   0.20753089  0.11332936  0.43778218
  -0.03002358  0.20423147  0.40492105
   0.03432216  0.06194857  0.56835081
   0.46317019  0.22925615  0.77382292
   0.07178737  0.31755362  0.55993652
   0.36763800  0.45480397  0.85473474
   0.45290828  0.43149932  0.66069251
   0.21698141  0.36561794  0.71260866
   0.25292656  0.19204376 -0.15326405
   0.00581360  0.12389704  0.91416992
   0.12896661  0.57221128  0.08944718
   0.41753703  0.69754491  0.28000196
   0.11874200  0.83133568  0.03045118
   0.35487498  0.94347285  0.33727133
   0.42539373  0.88941458  0.16671512
   0.17928411  0.80761026  0.22499055
   0.32877143  0.66247952  0.45221506
   0.06586921  0.58391109  0.42162708
   0.19714166  0.55298741  0.58729724
   0.31622305  0.70631654  0.76972332
   0.11330034  0.79655834  0.53228905
   0.38181333  0.97245534  0.80767131
   0.45220744  0.87129454  0.63069501
   0.17787973  0.90852422  0.68544428
   0.29325213  0.66434700 -0.04445780
   0.01225716  0.65323313  0.92302936
   0.61784799  0.05207656  0.10635410
   0.84480980  0.19234981  0.23836720
   0.60872475  0.31008559  0.02823463
   0.86670531  0.46035095  0.33715213
   0.04240395  0.35479896  0.17833559
   0.77626689  0.42826020  0.17053034
   0.71584675  0.13561487  0.40881123
   0.47096972  0.13097689  0.44510534
   0.62979049  0.06080825  0.57717502
   0.83930397  0.19912884  0.77965078
   0.60648758  0.32685998  0.52749099
   0.85359451  0.44223465  0.86746262
   0.96840603  0.47073174  0.68339991
   0.69344509  0.39580168  0.70538476
   0.74202370  0.09097751  0.93746908
   0.48765786  0.12580643  0.94916738
   0.56244423  0.56143940  0.08763003
   0.91117771  0.71567290  0.28695044
   0.60068932  0.82310051  0.03528114
   0.87924955  0.96047389  0.33345892
   0.92500536  0.88821829  0.14587195
   0.68509441  0.84406011  0.21977885
   0.80308290  0.64669810  0.45624664
   0.57100718  0.56663900  0.39433438
   0.62398311  0.58391067  0.57219381
   0.83462877  0.67644632  0.78038111
   0.59248071  0.82492426  0.44117595
   0.89512939  0.92909641  0.82844131
   0.92845613  0.82912684  0.65419100
   0.69037284  0.91295335  0.72688234
   0.77663752  0.63657565  0.98493057
   0.53766311  0.65957123  0.89681846
   0.71283567  0.80889728  0.56629576
   0.49667087  0.83237240  0.43052281
   0.86390578  0.22933539  0.07424047
   0.93387600  0.38887735  0.36156863
   0.34731160  0.08937317  0.62950713
   0.38499057  0.68966755  0.70787614
   0.19779787  1.09459930  0.19414566
   0.22757217  1.06653984 -0.00087352
   0.64625797  0.32833494  0.88244607
   0.90529244  0.39124022  0.67086110
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.868354    0.269206    0.013618
    -0.000000    9.837824   -0.013021
    -0.000000    0.000000   13.954007
   Si   O    H 
    32    64    10
Direct configuration=  1959
   0.15363339  0.17110720 -0.05537383
   0.34337409  0.10044511  0.37185974
   0.15075515  0.41648543  0.10116554
   0.37990850  0.34206267  0.24883711
   0.07892224  0.18711558  0.49495645
   0.40491693  0.12545326  0.84937571
   0.11511897  0.42955001  0.63536529
   0.36872372  0.36940327  0.75101752
   0.13777749  0.67930568 -0.00827920
   0.41111801  0.58688039  0.36902252
   0.09435981  0.89854385  0.13729596
   0.33832663  0.83664891  0.25241664
   0.17698176  0.65312025  0.49534373
   0.38167174  0.62030190  0.86448493
   0.05539766  0.90910716  0.60778800
   0.33520822  0.96684877  0.69377262
   0.62997276  0.14785177  1.00685896
   0.85607005  0.11819770  0.34723714
   0.62665394  0.41306448  0.11977306
   0.88860156  0.30684539  0.16525028
   0.60797224  0.16338358  0.48895642
   0.87281515  0.08277474  0.86133382
   0.59935444  0.43766287  0.61464148
   0.74571888  0.33911973  0.80793729
   0.61340574  0.66405012 -0.00044885
   0.90814047  0.60920063  0.36946674
   0.58181947  0.90137278  0.13918854
   0.84484248  0.84820460  0.24369198
   0.64478927  0.66656092  0.46734023
   0.86411480  0.60813077  0.88962492
   0.61612672  0.91420577  0.62210998
   0.83422505  0.83441942  0.74713954
   0.10962636  0.06334458  0.16370648
   0.35820851  0.18618462  0.27799756
   0.15697674  0.33386541 -0.00503331
   0.36071001  0.43730366  0.34710457
   0.53830354  0.35697069  0.21666923
   0.29289950  0.39618491  0.16204373
   0.21040958  0.11350155  0.43689128
  -0.02973787  0.20344993  0.40432052
   0.03368182  0.06130576  0.56741457
   0.46273787  0.22959003  0.77246197
   0.07080467  0.31782275  0.55981588
   0.36843940  0.45488294  0.85418718
   0.45286500  0.43195342  0.66207518
   0.21718815  0.36586963  0.71435868
   0.25284081  0.19094261 -0.15161601
   0.00391450  0.12483378  0.91427822
   0.13092153  0.57168525  0.08921207
   0.41511116  0.69753432  0.27992919
   0.11872481  0.83220884  0.03066811
   0.35565185  0.94414175  0.33829862
   0.42674358  0.88958419  0.16620367
   0.18066960  0.80740502  0.22488876
   0.33013387  0.66150706  0.45263121
   0.06648536  0.58543344  0.42185435
   0.19773440  0.55376116  0.58811075
   0.31765202  0.70826183  0.77010314
   0.11403865  0.79608513  0.53196755
   0.38137845  0.97300427  0.80690080
   0.45055183  0.86938450  0.63148960
   0.17863645  0.90707696  0.68548317
   0.29187719  0.66370500 -0.04401612
   0.01239323  0.65375817  0.92234168
   0.61777544  0.05128568  0.10656901
   0.84478650  0.19173208  0.23880522
   0.61010130  0.31273355  0.02818049
   0.86763165  0.45786623  0.33634544
   0.04350190  0.35452426  0.17845549
   0.77578632  0.42673790  0.17015202
   0.71744694  0.13507745  0.40842338
   0.47242375  0.13092444  0.44478942
   0.63169383  0.05990857  0.57530855
   0.83919086  0.19867533  0.78104801
   0.60690585  0.32412916  0.52619329
   0.85485088  0.44204939  0.86610853
   0.96819059  0.47089467  0.68399270
   0.69360391  0.39477049  0.70585941
   0.74312347  0.09028000  0.93702395
   0.48546695  0.12715725  0.94905627
   0.56291672  0.56074942  0.08486380
   0.91158251  0.71490829  0.28595702
   0.59956701  0.82123881  0.03547733
   0.87851772  0.95970401  0.33209150
   0.92459572  0.88948604  0.14714273
   0.68400963  0.84392941  0.21960727
   0.80444317  0.64752366  0.45613896
   0.57273577  0.56712067  0.39363437
   0.62459552  0.58385134  0.57215572
   0.83342079  0.67672786  0.78079427
   0.59149337  0.82600531  0.44205516
   0.89418944  0.92936527  0.82782628
   0.92654712  0.83037057  0.65432132
   0.68794239  0.91398111  0.72727400
   0.77591605  0.63688947  0.98509639
   0.53727864  0.66176630  0.89670066
   0.71367533  0.81454494  0.56773696
   0.50071982  0.82703961  0.42971244
   0.87260402  0.23026161  0.06950453
   0.93667603  0.39191808  0.35938394
   0.34775603  0.09507632  0.62844635
   0.38544504  0.69282158  0.70990570
   0.19586360  1.08723424  0.20014121
   0.23906557  1.07117604 -0.00131226
   0.64873264  0.32608280  0.87961625
   0.90221682  0.40301227  0.67556985
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870460    0.270309    0.011733
    -0.000000    9.836289   -0.012575
    -0.000000    0.000000   13.952411
   Si   O    H 
    32    64    10
Direct configuration=  1960
   0.15251163  0.17089393 -0.05601325
   0.34448388  0.10145478  0.37151582
   0.15119823  0.41540130  0.10079233
   0.37966194  0.34257952  0.24991659
   0.07929011  0.18694766  0.49386816
   0.40376348  0.12463105  0.84952419
   0.11524932  0.43009894  0.63550766
   0.36860108  0.37008460  0.75043690
   0.13580348  0.67954311 -0.00841714
   0.40992378  0.58743165  0.36921358
   0.09499372  0.89789819  0.13687047
   0.33784260  0.83557229  0.25096363
   0.17668225  0.65301010  0.49592655
   0.38068230  0.62003436  0.86440963
   0.05623355  0.90827066  0.60778900
   0.33602189  0.96821875  0.69478913
   0.63021906  0.14843762  1.00716290
   0.85743655  0.11733598  0.34780873
   0.62510553  0.41236729  0.12066585
   0.88897720  0.30751466  0.16493851
   0.60711346  0.16324200  0.48868997
   0.87367198  0.08196937  0.86085159
   0.60080630  0.43685012  0.61491903
   0.74596094  0.33853270  0.80698755
   0.61425262  0.66383658 -0.00078106
   0.90775879  0.60930603  0.36989923
   0.58223055  0.89966998  0.13886887
   0.84528632  0.84926979  0.24425646
   0.64447845  0.66650839  0.46656116
   0.86380636  0.60905575  0.89030723
   0.61653803  0.91453072  0.62280342
   0.83470388  0.83415177  0.74704099
   0.10952087  0.06301507  0.16344318
   0.35977000  0.18829230  0.27864711
   0.15416580  0.33345922 -0.00428184
   0.35888197  0.43740507  0.34729266
   0.53824885  0.35559344  0.21671448
   0.29255089  0.39759201  0.16029631
   0.21293373  0.11365228  0.43627803
  -0.02854478  0.20237347  0.40388590
   0.03246479  0.06082993  0.56614275
   0.46225781  0.23043804  0.77149888
   0.07003423  0.31844641  0.55953565
   0.37062967  0.45507681  0.85388348
   0.45257842  0.43244812  0.66270029
   0.21757541  0.36636446  0.71583018
   0.25200710  0.18950868 -0.15026383
   0.00244184  0.12593625  0.91519142
   0.13269520  0.57165617  0.08862412
   0.41227010  0.69712641  0.28029780
   0.11897816  0.83308991  0.03129200
   0.35581758  0.94452600  0.34005044
   0.42753835  0.89048812  0.16551491
   0.18241845  0.80785840  0.22480820
   0.33092783  0.66082631  0.45280457
   0.06742535  0.58681752  0.42180759
   0.19851537  0.55382016  0.58884237
   0.31918942  0.70949392  0.77020125
   0.11476601  0.79559642  0.53137458
   0.38053943  0.97392616  0.80622860
   0.44975265  0.86800481  0.63234530
   0.17961183  0.90627562  0.68523092
   0.29129245  0.66341751 -0.04354382
   0.01275286  0.65361085  0.92146435
   0.61825363  0.05177911  0.10652326
   0.84428748  0.19100659  0.23969530
   0.61189647  0.31562479  0.02800034
   0.86904155  0.45568679  0.33556394
   0.04417499  0.35373262  0.17831705
   0.77499304  0.42576059  0.16955052
   0.71950372  0.13529742  0.40785210
   0.47297212  0.13048582  0.44428253
   0.63383783  0.05923381  0.57428072
   0.83840376  0.19796211  0.78248529
   0.60731102  0.32189469  0.52509544
   0.85627682  0.44205144  0.86533303
   0.96769030  0.47128436  0.68496454
   0.69345630  0.39437225  0.70601204
   0.74431224  0.09035135  0.93722509
   0.48374622  0.12844556  0.94925887
   0.56400940  0.56038952  0.08266462
   0.91224315  0.71299066  0.28443252
   0.59848928  0.81943356  0.03551857
   0.87777604  0.95905213  0.33118843
   0.92387407  0.89096721  0.14843241
   0.68334795  0.84375460  0.21948443
   0.80560148  0.64904723  0.45564118
   0.57368162  0.56753109  0.39279566
   0.62492735  0.58408322  0.57214416
   0.83169669  0.67744185  0.78129437
   0.59182831  0.82619037  0.44237920
   0.89352209  0.92927584  0.82749586
   0.92522577  0.83197718  0.65397820
   0.68510764  0.91545440  0.72808043
   0.77565364  0.63694115  0.98566689
   0.53727350  0.66234117  0.89710864
   0.70961359  0.82012552  0.57379330
   0.49089573  0.82285074  0.42654886
   0.88343808  0.23311601  0.06730404
   0.93880108  0.39538319  0.35876956
   0.34917127  0.09961920  0.63145568
   0.37651611  0.69725532  0.71797284
   0.18927353  1.08362649  0.20302669
   0.24653890  1.07696811 -0.00094673
   0.64729520  0.32368131  0.87760467
   0.89565775  0.40865669  0.67890008
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873272    0.272000    0.010219
    -0.000000    9.835053   -0.011761
    -0.000000    0.000000   13.950718
   Si   O    H 
    32    64    10
Direct configuration=  1961
   0.15252346  0.17053161 -0.05617914
   0.34574517  0.10296721  0.37158306
   0.15127601  0.41440780  0.10046114
   0.38058261  0.34326566  0.25118466
   0.07916032  0.18661112  0.49256502
   0.40266081  0.12413801  0.84958864
   0.11536347  0.43024136  0.63596831
   0.36852050  0.37064766  0.75039512
   0.13416003  0.67980982 -0.00822372
   0.40923096  0.58840469  0.36904564
   0.09493018  0.89692013  0.13637354
   0.33679923  0.83514886  0.24964923
   0.17655784  0.65238803  0.49669491
   0.37982981  0.62007829  0.86444857
   0.05746355  0.90744299  0.60778906
   0.33667834  0.96977589  0.69542400
   0.63027575  0.14778012  1.00743731
   0.85822345  0.11708720  0.34804117
   0.62304413  0.41233230  0.12143602
   0.88925791  0.30784683  0.16483421
   0.60737038  0.16338548  0.48851956
   0.87368535  0.08113477  0.86071156
   0.60254852  0.43636375  0.61540611
   0.74654421  0.33759052  0.80576191
   0.61471987  0.66313453 -0.00100416
   0.90779529  0.60909516  0.37017856
   0.58301794  0.89775431  0.13874318
   0.84563529  0.85019839  0.24494446
   0.64364092  0.66681725  0.46586590
   0.86321101  0.61010378  0.89086873
   0.61705788  0.91477224  0.62308309
   0.83520939  0.83377996  0.74738548
   0.10892027  0.06325764  0.16311654
   0.36095189  0.19076681  0.27856579
   0.15127119  0.33291917 -0.00361902
   0.35736865  0.43700259  0.34722457
   0.53766625  0.35464790  0.21678719
   0.29293048  0.39848706  0.15855432
   0.21451345  0.11464053  0.43559501
  -0.02780162  0.20121707  0.40372341
   0.03135614  0.06048609  0.56487290
   0.46154250  0.23098592  0.77040559
   0.06884449  0.31907607  0.55915838
   0.37303187  0.45539281  0.85345811
   0.45176368  0.43320326  0.66283482
   0.21733135  0.36719748  0.71652429
   0.25111093  0.18789686 -0.14894452
   0.00206775  0.12721482  0.91634072
   0.13402988  0.57212146  0.08720494
   0.41062248  0.69595667  0.28047417
   0.11990370  0.83461478  0.03169044
   0.35588209  0.94511646  0.34142967
   0.42752433  0.89132350  0.16466020
   0.18377212  0.80860174  0.22461856
   0.33118830  0.66036352  0.45368926
   0.06890722  0.58881430  0.42167994
   0.19893142  0.55461228  0.58992966
   0.31998296  0.71043202  0.77107058
   0.11547623  0.79608767  0.53077482
   0.37992928  0.97427840  0.80558620
   0.45031619  0.86677782  0.63326328
   0.18160608  0.90576779  0.68477644
   0.29117277  0.66329281 -0.04356437
   0.01394995  0.65364309  0.92081175
   0.61927965  0.05276548  0.10650690
   0.84305265  0.19009507  0.24068082
   0.61273746  0.31814665  0.02779574
   0.87059048  0.45432061  0.33474326
   0.04532025  0.35309683  0.17795202
   0.77418233  0.42491983  0.16909780
   0.72185291  0.13582569  0.40729778
   0.47237588  0.12910706  0.44311339
   0.63586609  0.05930845  0.57398849
   0.83756464  0.19687880  0.78348116
   0.60829634  0.32035879  0.52425686
   0.85710199  0.44123319  0.86478508
   0.96747287  0.47201018  0.68558256
   0.69329684  0.39366273  0.70604625
   0.74568570  0.09008924  0.93745262
   0.48226851  0.12887379  0.94921787
   0.56475442  0.55948600  0.08061678
   0.91341026  0.71143007  0.28332932
   0.59765565  0.81709659  0.03573743
   0.87684436  0.95801490  0.33043345
   0.92398738  0.89193163  0.15000349
   0.68367318  0.84380353  0.21969687
   0.80667827  0.65070076  0.45417512
   0.57442132  0.56815143  0.39239715
   0.62583418  0.58483437  0.57162631
   0.83057038  0.67745098  0.78238648
   0.59167363  0.82614498  0.44285261
   0.89229051  0.92885247  0.82743572
   0.92485116  0.83450275  0.65310399
   0.68210635  0.91686903  0.72825220
   0.77507278  0.63726364  0.98591578
   0.53683787  0.66157367  0.89710581
   0.70664103  0.82814820  0.58206306
   0.48454206  0.82260395  0.42320912
   0.89413459  0.23668349  0.06707746
   0.94231401  0.39267638  0.35710616
   0.34936904  0.10125251  0.63694669
   0.37295340  0.70280515  0.71796138
   0.18087747  1.08407299  0.20101165
   0.25347877  1.07952883  0.00119119
   0.64343046  0.31843055  0.88042148
   0.88793386  0.40576232  0.68045947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875569    0.273045    0.008502
    -0.000000    9.833420   -0.010961
    -0.000000    0.000000   13.948821
   Si   O    H 
    32    64    10
Direct configuration=  1962
   0.15232866  0.17070784 -0.05587767
   0.34770026  0.10425116  0.37136270
   0.15156733  0.41253328  0.09961678
   0.38229080  0.34438033  0.25237005
   0.07884999  0.18554834  0.49095840
   0.40210652  0.12366771  0.84980022
   0.11517985  0.43029394  0.63658283
   0.36885660  0.37114167  0.75018873
   0.13259195  0.67954328 -0.00761035
   0.40987926  0.58908693  0.36866107
   0.09458251  0.89600458  0.13577124
   0.33608955  0.83477365  0.24841502
   0.17593882  0.65242932  0.49714827
   0.37879068  0.61982432  0.86472324
   0.05892758  0.90612373  0.60708158
   0.33708998  0.97101777  0.69566411
   0.63020417  0.14745192  1.00791799
   0.85847425  0.11686753  0.34788595
   0.62056902  0.41224409  0.12291988
   0.88948512  0.30865141  0.16474639
   0.60812017  0.16361506  0.48859748
   0.87337953  0.08147472  0.86070277
   0.60439977  0.43543791  0.61561933
   0.74793661  0.33725249  0.80509258
   0.61499824  0.66233550 -0.00152196
   0.90827967  0.60851719  0.37040983
   0.58405027  0.89603012  0.13809891
   0.84525463  0.85056172  0.24530185
   0.64313661  0.66724363  0.46555519
   0.86292332  0.61042421  0.89098626
   0.61772522  0.91446951  0.62306146
   0.83560442  0.83334745  0.74779808
   0.10786683  0.06295250  0.16256130
   0.36213313  0.19244457  0.27827256
   0.14886620  0.33268674 -0.00276882
   0.35505898  0.43671364  0.34724457
   0.53677280  0.35402920  0.21681242
   0.29346762  0.39963234  0.15699631
   0.21584151  0.11698847  0.43484380
  -0.02708655  0.19980837  0.40381132
   0.03063832  0.05945183  0.56406623
   0.46031676  0.23131572  0.76910218
   0.06839075  0.31957848  0.55875052
   0.37585306  0.45568908  0.85267551
   0.45134925  0.43433999  0.66238448
   0.21596265  0.36856121  0.71697532
   0.24943768  0.18713080 -0.14778355
   0.00196864  0.12872833  0.91762736
   0.13503738  0.57304889  0.08571184
   0.40947841  0.69449591  0.28043116
   0.11966189  0.83611185  0.03209760
   0.35559719  0.94592932  0.34239197
   0.42662898  0.89282484  0.16320309
   0.18426323  0.80967011  0.22377456
   0.33103146  0.66025735  0.45427681
   0.07020950  0.59011952  0.42139936
   0.19931260  0.55503970  0.59097520
   0.32012527  0.71089705  0.77325958
   0.11617341  0.79658085  0.53056331
   0.37941412  0.97421025  0.80538498
   0.45124885  0.86528863  0.63433378
   0.18318344  0.90518439  0.68392974
   0.29107534  0.66323354 -0.04409038
   0.01471508  0.65354424  0.91992202
   0.62035533  0.05415404  0.10629804
   0.84179640  0.18977481  0.24130838
   0.61363919  0.32053164  0.02745787
   0.87255215  0.45394704  0.33416103
   0.04608958  0.35308052  0.17850101
   0.77288104  0.42496129  0.16858652
   0.72320445  0.13599908  0.40667863
   0.47036640  0.12784973  0.44188640
   0.63803409  0.05917339  0.57389579
   0.83684393  0.19651236  0.78471553
   0.60973744  0.31861618  0.52378789
   0.85746404  0.43948373  0.86427654
   0.96651803  0.47213281  0.68627427
   0.69435151  0.39396474  0.70626715
   0.74664169  0.08895757  0.93802915
   0.48094263  0.12976533  0.94929396
   0.56549310  0.55858369  0.07876302
   0.91533956  0.70859864  0.28263944
   0.59666926  0.81583736  0.03611806
   0.87614727  0.95738832  0.33056216
   0.92494929  0.89223659  0.15098291
   0.68417736  0.84336093  0.21955747
   0.80730570  0.65274546  0.45308238
   0.57516319  0.56818704  0.39154171
   0.62684937  0.58613332  0.57088289
   0.82915643  0.67765739  0.78386560
   0.59011843  0.82565881  0.44335423
   0.89144919  0.92887201  0.82802349
   0.92489289  0.83678829  0.65183181
   0.67960640  0.91767590  0.72910058
   0.77455125  0.63781861  0.98584300
   0.53583170  0.66109280  0.89697749
   0.71089297  0.82778851  0.58556818
   0.49323862  0.82482203  0.42233624
   0.90626462  0.24388044  0.06893250
   0.94533215  0.39111578  0.35506918
   0.34841026  0.09856549  0.64442715
   0.37855927  0.70534768  0.70818485
   0.18492694  1.09012520  0.20159714
   0.25107310  1.08386784  0.00161747
   0.64031147  0.31434088  0.88035284
   0.88868448  0.40989594  0.68306489
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877881    0.274402    0.006755
    -0.000000    9.831995   -0.010637
    -0.000000    0.000000   13.946823
   Si   O    H 
    32    64    10
Direct configuration=  1963
   0.15299262  0.17119077 -0.05531096
   0.34951251  0.10477216  0.37118860
   0.15195634  0.41082271  0.09918889
   0.38425664  0.34559783  0.25320073
   0.07860176  0.18372263  0.48923531
   0.40125378  0.12360575  0.84959204
   0.11494657  0.43067399  0.63690919
   0.36891869  0.37208387  0.74982178
   0.13113494  0.67939939 -0.00716098
   0.41098481  0.58953270  0.36794665
   0.09443450  0.89594324  0.13536702
   0.33581426  0.83441658  0.24773224
   0.17544866  0.65219662  0.49713195
   0.37747738  0.61968460  0.86482268
   0.06076334  0.90475090  0.60665300
   0.33739450  0.97211481  0.69546433
   0.62996726  0.14711799  1.00839744
   0.85853111  0.11710562  0.34779395
   0.61854133  0.41224230  0.12423618
   0.88937473  0.30932162  0.16484288
   0.60941822  0.16398538  0.48810822
   0.87264956  0.08156821  0.86077359
   0.60583775  0.43487062  0.61590597
   0.74981383  0.33711359  0.80487438
   0.61480391  0.66212581 -0.00236203
   0.90969437  0.60791756  0.37066076
   0.58495397  0.89491755  0.13674048
   0.84496664  0.85168727  0.24581136
   0.64259689  0.66792639  0.46541527
   0.86270238  0.60960910  0.89049862
   0.61801275  0.91446077  0.62309571
   0.83545010  0.83314254  0.74819645
   0.10643580  0.06197943  0.16242571
   0.36297489  0.19304648  0.27750492
   0.14698370  0.33153108 -0.00267294
   0.35295022  0.43633934  0.34786263
   0.53607858  0.35286006  0.21679292
   0.29405287  0.40111247  0.15584346
   0.21576127  0.11987549  0.43474305
  -0.02644899  0.19954992  0.40379281
   0.02978802  0.05816407  0.56311749
   0.45927375  0.23167078  0.76790933
   0.06898254  0.32006727  0.55858577
   0.37873930  0.45566954  0.85214586
   0.45192537  0.43545363  0.66189280
   0.21448450  0.37034990  0.71802607
   0.24753646  0.18668826 -0.14711886
   0.00208910  0.13021935  0.91868254
   0.13487950  0.57449221  0.08470950
   0.40887295  0.69265984  0.28007982
   0.11938094  0.83775444  0.03268864
   0.35549067  0.94648788  0.34322792
   0.42492258  0.89410845  0.16196101
   0.18327850  0.81115153  0.22275489
   0.32999684  0.66019035  0.45455380
   0.07120722  0.59088393  0.42135263
   0.19952127  0.55528601  0.59210126
   0.32012981  0.71059215  0.77542750
   0.11701447  0.79715534  0.53027925
   0.38006705  0.97486242  0.80561353
   0.45196584  0.86434415  0.63521853
   0.18459589  0.90477342  0.68353635
   0.28973807  0.66351612 -0.04464547
   0.01596081  0.65329005  0.91880175
   0.62139913  0.05631336  0.10555628
   0.83985783  0.18947684  0.24185443
   0.61479615  0.32139276  0.02757230
   0.87413503  0.45294139  0.33351308
   0.04610465  0.35303942  0.17908864
   0.77145386  0.42562351  0.16811080
   0.72382974  0.13622510  0.40640001
   0.46737650  0.12690803  0.44001571
   0.63923231  0.05851668  0.57406877
   0.83703429  0.19631737  0.78520570
   0.61198136  0.31734101  0.52330415
   0.85708402  0.43817708  0.86376032
   0.96574223  0.47171553  0.68675096
   0.69534006  0.39464295  0.70707466
   0.74683246  0.08730838  0.93890709
   0.48006257  0.13033651  0.94947386
   0.56614563  0.55770610  0.07732022
   0.91793522  0.70557987  0.28176264
   0.59489152  0.81522196  0.03638187
   0.87587391  0.95557381  0.33072965
   0.92640433  0.89205666  0.15202150
   0.68506837  0.84263636  0.21992422
   0.80776107  0.65465965  0.45214279
   0.57480659  0.56786275  0.39030531
   0.62799914  0.58769373  0.57022544
   0.82847364  0.67734113  0.78521453
   0.58860627  0.82519508  0.44337488
   0.89075064  0.92941342  0.82849316
   0.92496120  0.83788248  0.65038096
   0.67748298  0.91835698  0.73061804
   0.77352283  0.63859376  0.98584833
   0.53493097  0.66079916  0.89679566
   0.71698339  0.82074333  0.58675019
   0.50523029  0.82845701  0.42023924
   0.91348286  0.25099561  0.07122854
   0.94508435  0.38920170  0.35229701
   0.34578462  0.09791001  0.65155913
   0.37829077  0.70626277  0.70525761
   0.18661492  1.09441276  0.19886640
   0.24624300  1.08509994  0.00242961
   0.63800135  0.30984527  0.87456295
   0.89289889  0.41562875  0.68389425
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880058    0.275908    0.004595
    -0.000000    9.831025   -0.010347
    -0.000000    0.000000   13.945135
   Si   O    H 
    32    64    10
Direct configuration=  1964
   0.15381786  0.17166119 -0.05534698
   0.35136107  0.10483897  0.37127123
   0.15241827  0.40930694  0.09879864
   0.38581168  0.34730909  0.25381081
   0.07889301  0.18202441  0.48786075
   0.40022389  0.12356848  0.84941832
   0.11496963  0.43033266  0.63759266
   0.36982801  0.37242217  0.74974570
   0.12971072  0.68006533 -0.00647193
   0.41220778  0.58941847  0.36720224
   0.09349300  0.89598696  0.13549289
   0.33598600  0.83361254  0.24763258
   0.17531156  0.65185470  0.49754849
   0.37685228  0.61921958  0.86477825
   0.06230994  0.90360461  0.60596729
   0.33774270  0.97225532  0.69533610
   0.62894254  0.14707804  1.00836564
   0.85829915  0.11741130  0.34718810
   0.61658655  0.41252528  0.12508762
   0.88926708  0.30981787  0.16506456
   0.61065402  0.16425934  0.48720227
   0.87227319  0.08157549  0.86103652
   0.60727300  0.43415149  0.61566791
   0.75207086  0.33666526  0.80527175
   0.61460568  0.66154427 -0.00316295
   0.91084160  0.60675618  0.37081954
   0.58555388  0.89422321  0.13512973
   0.84449680  0.85237333  0.24626707
   0.64214698  0.66860530  0.46505826
   0.86258373  0.60793461  0.89006602
   0.61793287  0.91480274  0.62297844
   0.83501746  0.83267934  0.74827407
   0.10518367  0.06141972  0.16208875
   0.36312056  0.19357051  0.27726786
   0.14510010  0.33094717 -0.00222395
   0.35127075  0.43639193  0.34938214
   0.53603491  0.35186409  0.21598481
   0.29585895  0.40180356  0.15511276
   0.21453532  0.12244640  0.43497637
  -0.02652018  0.19900301  0.40420176
   0.02890285  0.05665320  0.56258718
   0.45847192  0.23150910  0.76693060
   0.06989384  0.31982733  0.55869773
   0.38133543  0.45619326  0.85150907
   0.45244808  0.43621660  0.66156309
   0.21356871  0.37179661  0.71925655
   0.24600713  0.18694017 -0.14598245
   0.00203554  0.13122979  0.91946474
   0.13454443  0.57568257  0.08338390
   0.40806870  0.69147412  0.27972383
   0.11943155  0.83915987  0.03330033
   0.35513786  0.94693271  0.34348417
   0.42284762  0.89519319  0.16059794
   0.18158228  0.81304220  0.22202579
   0.32960397  0.65967426  0.45561642
   0.07172679  0.59169960  0.42119511
   0.19902218  0.55602481  0.59309982
   0.32142687  0.70974628  0.77667353
   0.11752188  0.79696914  0.52949268
   0.38053657  0.97532948  0.80571219
   0.45278210  0.86399109  0.63586380
   0.18617323  0.90443681  0.68332420
   0.28753745  0.66445723 -0.04524035
   0.01721545  0.65307875  0.91679489
   0.62217703  0.05773385  0.10444889
   0.83792539  0.18975159  0.24259540
   0.61648542  0.32104152  0.02784245
   0.87555148  0.45230463  0.33334213
   0.04636978  0.35229849  0.17971353
   0.77000922  0.42610712  0.16755578
   0.72363534  0.13613978  0.40628308
   0.46575740  0.12655166  0.43852430
   0.64022089  0.05893651  0.57426969
   0.83785514  0.19606178  0.78575834
   0.61321326  0.31682275  0.52326656
   0.85658717  0.43712793  0.86292031
   0.96558359  0.47201883  0.68714645
   0.69667315  0.39558766  0.70765271
   0.74728472  0.08486030  0.93966278
   0.47963271  0.13008426  0.94987191
   0.56617927  0.55708305  0.07597745
   0.92003067  0.70288353  0.27970984
   0.59256701  0.81528310  0.03683021
   0.87546537  0.95450517  0.33049375
   0.92807010  0.89140366  0.15282478
   0.68577571  0.84200992  0.22028375
   0.80834113  0.65611929  0.45127527
   0.57357415  0.56724369  0.38888925
   0.62873415  0.58899589  0.56981054
   0.82749395  0.67704767  0.78633540
   0.58913977  0.82426190  0.44399325
   0.89087718  0.92921902  0.82874941
   0.92549558  0.83798122  0.64903450
   0.67640492  0.91807334  0.73226479
   0.77276172  0.63929173  0.98576557
   0.53340769  0.66016875  0.89676029
   0.72293124  0.81121417  0.58512233
   0.49627534  0.83670367  0.41202366
   0.91711960  0.25591237  0.07363910
   0.94506152  0.38880495  0.35035201
   0.34146101  0.10009459  0.65617297
   0.36859338  0.70845993  0.71093636
   0.18205011  1.09399214  0.19313819
   0.23579532  1.08465487  0.00645641
   0.63581966  0.30860137  0.86562820
   0.89008145  0.41259678  0.68368099
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882074    0.276885    0.002222
    -0.000000    9.830105   -0.009987
    -0.000000    0.000000   13.943162
   Si   O    H 
    32    64    10
Direct configuration=  1965
   0.15447988  0.17228743 -0.05509167
   0.35309858  0.10430228  0.37125441
   0.15315751  0.40744251  0.09856161
   0.38703255  0.34958242  0.25440005
   0.07945570  0.17981401  0.48742230
   0.39995403  0.12303043  0.84947803
   0.11443106  0.42953858  0.63792348
   0.37069958  0.37280301  0.75011334
   0.12910309  0.68060421 -0.00541247
   0.41263838  0.58920838  0.36682107
   0.09223060  0.89626223  0.13607763
   0.33623189  0.83311396  0.24775573
   0.17527358  0.65172720  0.49781615
   0.37553886  0.61890537  0.86481108
   0.06341508  0.90319135  0.60548339
   0.33791359  0.97148479  0.69480085
   0.62805451  0.14688502  1.00837476
   0.85779268  0.11782407  0.34703572
   0.61481250  0.41291531  0.12574306
   0.88916267  0.30946851  0.16561223
   0.61183485  0.16414086  0.48650236
   0.87168298  0.08134257  0.86169771
   0.60831299  0.43311673  0.61563525
   0.75454720  0.33655903  0.80583364
   0.61434469  0.66109310 -0.00386752
   0.91255420  0.60553758  0.37098897
   0.58590756  0.89379024  0.13374484
   0.84409482  0.85326709  0.24653767
   0.64205787  0.66952821  0.46460456
   0.86266583  0.60622437  0.88973643
   0.61793303  0.91482056  0.62312936
   0.83380344  0.83230321  0.74827635
   0.10369131  0.06104084  0.16200168
   0.36369803  0.19338654  0.27675783
   0.14334484  0.33008439 -0.00220380
   0.35023614  0.43648967  0.35020553
   0.53654663  0.35174110  0.21568037
   0.29780032  0.40160867  0.15478178
   0.21339468  0.12492844  0.43523298
  -0.02598818  0.19868881  0.40442522
   0.02827766  0.05541027  0.56168149
   0.45763586  0.23172446  0.76612772
   0.07138750  0.31903548  0.55891475
   0.38307370  0.45623132  0.85044471
   0.45311993  0.43648723  0.66116848
   0.21332410  0.37301350  0.72059187
   0.24477959  0.18728105 -0.14544644
   0.00216222  0.13260678  0.92036019
   0.13419271  0.57670528  0.08251378
   0.40732499  0.69065022  0.27930950
   0.11994853  0.84045509  0.03358197
   0.35525356  0.94641188  0.34373419
   0.42060835  0.89592470  0.15922512
   0.17976791  0.81524219  0.22133698
   0.32912225  0.65947792  0.45690838
   0.07201015  0.59267795  0.42098213
   0.19752222  0.55636864  0.59379344
   0.32208197  0.70930384  0.77748456
   0.11799810  0.79648465  0.52819424
   0.38064181  0.97538598  0.80624455
   0.45292050  0.86444104  0.63631496
   0.18813335  0.90380707  0.68383138
   0.28486814  0.66534434 -0.04627179
   0.01819536  0.65336088  0.91480153
   0.62340856  0.05804795  0.10385113
   0.83623298  0.19041792  0.24332860
   0.61811838  0.31947769  0.02815624
   0.87615328  0.45234711  0.33357820
   0.04662482  0.35260990  0.18028976
   0.76870935  0.42694676  0.16648837
   0.72307610  0.13668673  0.40578506
   0.46549759  0.12741049  0.43782073
   0.64130377  0.05974430  0.57415453
   0.83908678  0.19579560  0.78568015
   0.61396195  0.31642679  0.52341920
   0.85530247  0.43765881  0.86255394
   0.96620572  0.47231578  0.68788045
   0.69820568  0.39622272  0.70782070
   0.74785036  0.08266281  0.93990740
   0.47979093  0.12931187  0.94983010
   0.56534048  0.55661526  0.07489928
   0.92153462  0.70096915  0.27759423
   0.59103084  0.81549397  0.03732246
   0.87512130  0.95436050  0.32990966
   0.92970792  0.89109281  0.15339425
   0.68682333  0.84120183  0.22044475
   0.80836899  0.65814475  0.45063261
   0.57294470  0.56570443  0.38768242
   0.62943107  0.58947812  0.56940382
   0.82655889  0.67759342  0.78738920
   0.58927006  0.82359866  0.44441933
   0.89024118  0.92932458  0.82921821
   0.92605365  0.83881402  0.64737894
   0.67620655  0.91728964  0.73391223
   0.77279581  0.63966526  0.98566918
   0.53163278  0.65979285  0.89658402
   0.72452511  0.79998348  0.58341590
   0.49459969  0.84574676  0.40590851
   0.91534898  0.26111762  0.07238335
   0.94965379  0.38257683  0.35165412
   0.33598284  0.10737559  0.65455660
   0.35501772  0.70831245  0.72340575
   0.18242360  1.09948129  0.18977561
   0.22349964  1.08308997  0.01228826
   0.63698291  0.30690498  0.85749360
   0.88967073  0.40962510  0.68047212
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883776    0.277445   -0.000223
    -0.000000    9.829729   -0.009102
    -0.000000    0.000000   13.941731
   Si   O    H 
    32    64    10
Direct configuration=  1966
   0.15515532  0.17283271 -0.05464323
   0.35398523  0.10373407  0.37087638
   0.15344706  0.40642723  0.09844783
   0.38828702  0.35206831  0.25426521
   0.07896460  0.17814302  0.48741914
   0.39999835  0.12290059  0.84966926
   0.11391993  0.42881504  0.63849525
   0.37158517  0.37354078  0.75022800
   0.12842225  0.68076179 -0.00453797
   0.41290071  0.58918920  0.36647490
   0.09052655  0.89721470  0.13660442
   0.33612159  0.83289648  0.24833738
   0.17590390  0.65174791  0.49792704
   0.37459268  0.61885963  0.86486665
   0.06443266  0.90266298  0.60507089
   0.33775652  0.97058513  0.69365614
   0.62676081  0.14643656  1.00813653
   0.85744665  0.11829731  0.34671216
   0.61350594  0.41364897  0.12601003
   0.88879931  0.30835850  0.16619780
   0.61238157  0.16386082  0.48595061
   0.87155391  0.08044641  0.86239972
   0.60884672  0.43257808  0.61531621
   0.75742495  0.33671432  0.80671359
   0.61373877  0.66105020 -0.00448360
   0.91480973  0.60355412  0.37156152
   0.58602779  0.89324061  0.13231867
   0.84453612  0.85327959  0.24673153
   0.64280168  0.66972633  0.46377702
   0.86344030  0.60438094  0.88956157
   0.61773952  0.91456868  0.62328932
   0.83225172  0.83247825  0.74789285
   0.10193679  0.06025795  0.16189578
   0.36381931  0.19265731  0.27632716
   0.14081811  0.32838946 -0.00189826
   0.34891704  0.43691602  0.35060806
   0.53727398  0.35135721  0.21562025
   0.29930727  0.40090229  0.15435188
   0.21249951  0.12710927  0.43534816
  -0.02508718  0.19895781  0.40470105
   0.02805747  0.05315868  0.56033464
   0.45837565  0.23160518  0.76526530
   0.07337042  0.31800350  0.55838624
   0.38460096  0.45619242  0.84901423
   0.45339537  0.43800804  0.66050830
   0.21273834  0.37387902  0.72181487
   0.24480506  0.18814254 -0.14511937
   0.00212851  0.13365672  0.92128418
   0.13389274  0.57629171  0.08152746
   0.40724564  0.68960317  0.27864253
   0.12035148  0.84139035  0.03354204
   0.35580708  0.94534133  0.34411675
   0.41867700  0.89612383  0.15779132
   0.17851259  0.81764382  0.22004551
   0.32896068  0.65860530  0.45812413
   0.07203382  0.59293477  0.42046880
   0.19656472  0.55682494  0.59431004
   0.32128393  0.70844525  0.77915311
   0.11812802  0.79653413  0.52730567
   0.38102756  0.97535128  0.80651684
   0.45404380  0.86516222  0.63686873
   0.19026292  0.90425704  0.68423351
   0.28195825  0.66590144 -0.04732283
   0.01842907  0.65404502  0.91283316
   0.62392902  0.05784367  0.10322000
   0.83520059  0.19061511  0.24440275
   0.61962166  0.31738746  0.02838292
   0.87657283  0.45196984  0.33393785
   0.04628507  0.35274503  0.18064868
   0.76723153  0.42760742  0.16482657
   0.72291831  0.13786394  0.40573124
   0.46644578  0.12866227  0.43813666
   0.64198566  0.06066246  0.57442128
   0.84040507  0.19670189  0.78527256
   0.61485908  0.31654622  0.52372089
   0.85486347  0.43810904  0.86240333
   0.96740700  0.47227394  0.68869369
   0.70020084  0.39689093  0.70770251
   0.74772808  0.08123542  0.94086716
   0.47958967  0.12774976  0.94954615
   0.56371152  0.55611981  0.07480987
   0.92162954  0.69907539  0.27560259
   0.59083370  0.81564709  0.03741272
   0.87591487  0.95374746  0.33029914
   0.93122375  0.89162158  0.15327479
   0.68838518  0.84050141  0.22012822
   0.80838466  0.65919722  0.45007890
   0.57249178  0.56465341  0.38618844
   0.62990329  0.58966403  0.56882897
   0.82563390  0.67876238  0.78828872
   0.58857538  0.82345654  0.44539247
   0.88996480  0.92883553  0.83002483
   0.92618961  0.83965550  0.64676212
   0.67597055  0.91692079  0.73588067
   0.77366243  0.64028357  0.98539652
   0.52987076  0.65904932  0.89638338
   0.72148967  0.79778734  0.58488496
   0.50390449  0.85343013  0.40420865
   0.91140802  0.26388111  0.06777227
   0.94621267  0.38037858  0.35239591
   0.33265327  0.11281615  0.65115234
   0.35896926  0.70492625  0.70734193
   0.18310154  1.10121780  0.18605289
   0.21576671  1.07995066  0.01852623
   0.63622888  0.30409078  0.85176783
   0.89670186  0.40980550  0.67727981
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885541    0.277832   -0.002370
    -0.000000    9.829065   -0.008754
    -0.000000    0.000000   13.940336
   Si   O    H 
    32    64    10
Direct configuration=  1967
   0.15497525  0.17378492 -0.05359396
   0.35285820  0.10340196  0.37080666
   0.15395874  0.40571915  0.09862618
   0.38920121  0.35468137  0.25390353
   0.07887203  0.17681911  0.48806174
   0.39987286  0.12331441  0.84998189
   0.11340637  0.42771610  0.63912072
   0.37262673  0.37362323  0.74994098
   0.12835675  0.68060250 -0.00357277
   0.41360296  0.58908307  0.36640909
   0.08903225  0.89795947  0.13712720
   0.33633972  0.83288349  0.24906897
   0.17611991  0.65212468  0.49798672
   0.37394726  0.61848236  0.86499067
   0.06572166  0.90182825  0.60461010
   0.33812091  0.96983228  0.69248048
   0.62589895  0.14576892  1.00743843
   0.85755831  0.11823011  0.34665143
   0.61204363  0.41455859  0.12568431
   0.88812614  0.30749569  0.16670786
   0.61282309  0.16294730  0.48544300
   0.87188899  0.07896267  0.86343996
   0.60940318  0.43177157  0.61487907
   0.76028201  0.33665229  0.80810031
   0.61331507  0.66116547 -0.00482438
   0.91687742  0.60178473  0.37221872
   0.58602811  0.89284524  0.13146435
   0.84530657  0.85342430  0.24717561
   0.64306774  0.66869013  0.46310584
   0.86486436  0.60302551  0.88943482
   0.61746834  0.91381945  0.62337807
   0.83115947  0.83279563  0.74737978
   0.09974604  0.05948693  0.16141752
   0.36380425  0.19229910  0.27520945
   0.13840350  0.32627364 -0.00136628
   0.34803137  0.43750996  0.35107661
   0.53801851  0.35102645  0.21556142
   0.30133535  0.40012406  0.15425107
   0.21298045  0.12870874  0.43530620
  -0.02544133  0.19915924  0.40447831
   0.02834695  0.05155560  0.55909337
   0.45852248  0.23126525  0.76456055
   0.07571283  0.31688426  0.55731666
   0.38571986  0.45550540  0.84776327
   0.45360463  0.43930855  0.65964966
   0.21271866  0.37405388  0.72259225
   0.24478214  0.18881083 -0.14532036
   0.00211166  0.13384089  0.92252200
   0.13266108  0.57564565  0.08082491
   0.40690770  0.68973782  0.27806057
   0.12025464  0.84196326  0.03325256
   0.35593652  0.94356751  0.34438089
   0.41663888  0.89619091  0.15690024
   0.17760193  0.81880373  0.21909605
   0.32954568  0.65717686  0.45947728
   0.07201876  0.59324221  0.41960452
   0.19537388  0.55675657  0.59480676
   0.32126559  0.70843067  0.77966576
   0.11745750  0.79712754  0.52594477
   0.38144503  0.97574578  0.80659953
   0.45581582  0.86640851  0.63731016
   0.19207114  0.90460857  0.68416356
   0.27950420  0.66651792 -0.04824177
   0.01860861  0.65364367  0.91048424
   0.62441625  0.05766580  0.10311830
   0.83374570  0.19117897  0.24572210
   0.62073535  0.31500758  0.02878939
   0.87727545  0.45099774  0.33411830
   0.04581363  0.35319593  0.18057152
   0.76575624  0.42740017  0.16350701
   0.72294806  0.13986931  0.40559253
   0.46847102  0.13058196  0.43915321
   0.64321462  0.06079870  0.57505028
   0.84145618  0.19749584  0.78473409
   0.61555237  0.31658141  0.52357447
   0.85311533  0.43830956  0.86227795
   0.96853269  0.47258608  0.68927392
   0.70188734  0.39661201  0.70749160
   0.74800651  0.08044310  0.94169753
   0.47950267  0.12640118  0.94954350
   0.56224747  0.55634138  0.07432109
   0.92148532  0.69743581  0.27429896
   0.59089524  0.81505515  0.03679538
   0.87732750  0.95398567  0.33063905
   0.93269738  0.89247146  0.15291011
   0.68936150  0.83976636  0.22006391
   0.80781721  0.66082053  0.45039058
   0.57232223  0.56413190  0.38423583
   0.63033403  0.58955243  0.56855827
   0.82391897  0.67982878  0.78948327
   0.58755905  0.82366206  0.44623518
   0.88930042  0.92808839  0.83112129
   0.92584041  0.84129613  0.64635850
   0.67698153  0.91599908  0.73776054
   0.77531444  0.64039942  0.98492131
   0.52833729  0.65780544  0.89638951
   0.71381018  0.80246899  0.58500795
   0.51585348  0.86072028  0.40364023
   0.90399237  0.26444142  0.06254793
   0.93966348  0.38090765  0.35164188
   0.32911018  0.11328247  0.64827241
   0.35923680  0.70190947  0.70357400
   0.18471390  1.09838894  0.18172375
   0.21373615  1.07913034  0.02404759
   0.63275919  0.30040569  0.85030675
   0.89897921  0.41015149  0.67210957
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887480    0.277672   -0.004360
    -0.000000    9.828885   -0.008573
    -0.000000    0.000000   13.939025
   Si   O    H 
    32    64    10
Direct configuration=  1968
   0.15411806  0.17431058 -0.05230822
   0.35164815  0.10276497  0.37044175
   0.15480134  0.40524974  0.09881715
   0.38980399  0.35663202  0.25355557
   0.07782887  0.17621893  0.48906173
   0.40017607  0.12421321  0.85030622
   0.11261248  0.42678031  0.63962897
   0.37378260  0.37401017  0.74940871
   0.12796864  0.68025247 -0.00313960
   0.41397671  0.58855753  0.36663495
   0.08703591  0.89898828  0.13798771
   0.33657440  0.83310278  0.24922876
   0.17609439  0.65218362  0.49777342
   0.37378807  0.61824865  0.86527589
   0.06708885  0.90109837  0.60464124
   0.33848254  0.96953048  0.69121181
   0.62527716  0.14535662  1.00720787
   0.85767284  0.11797027  0.34680389
   0.61125179  0.41458297  0.12536758
   0.88698251  0.30738964  0.16677825
   0.61321472  0.16226230  0.48501721
   0.87195867  0.07832982  0.86501903
   0.60943703  0.43164225  0.61418075
   0.76285508  0.33624231  0.80949770
   0.61275844  0.66096156 -0.00516090
   0.91906347  0.60030960  0.37285066
   0.58582298  0.89316365  0.13105608
   0.84654427  0.85343104  0.24791359
   0.64360075  0.66649626  0.46245094
   0.86583716  0.60156841  0.88912252
   0.61766593  0.91326373  0.62344796
   0.83049799  0.83267417  0.74642976
   0.09822800  0.05943072  0.16125791
   0.36267656  0.19190551  0.27411965
   0.13641224  0.32441718 -0.00075767
   0.34640880  0.43875735  0.35141226
   0.53948622  0.35046434  0.21521827
   0.30330927  0.39914669  0.15426388
   0.21371791  0.13012782  0.43481339
  -0.02607183  0.20025082  0.40435370
   0.02847950  0.04965860  0.55796119
   0.45878680  0.23091000  0.76427643
   0.07711797  0.31579002  0.55646417
   0.38596257  0.45581068  0.84686341
   0.45318333  0.44065846  0.65906599
   0.21297857  0.37389994  0.72336573
   0.24490709  0.18957050 -0.14582468
   0.00178334  0.13354070  0.92400090
   0.13051140  0.57434867  0.08116735
   0.40672074  0.69085664  0.27764180
   0.11964057  0.84215640  0.03257967
   0.35541216  0.94115976  0.34422808
   0.41485958  0.89661097  0.15553976
   0.17626282  0.81953080  0.21839691
   0.33127761  0.65628718  0.46116509
   0.07115636  0.59311413  0.41912595
   0.19427592  0.55705979  0.59515239
   0.32102661  0.70869044  0.77835420
   0.11700646  0.79707935  0.52449399
   0.38212790  0.97594233  0.80726014
   0.45763346  0.86812305  0.63773902
   0.19338832  0.90543934  0.68404769
   0.27723386  0.66773318 -0.04888469
   0.01828963  0.65313402  0.90826963
   0.62482269  0.05752405  0.10343178
   0.83281850  0.19213448  0.24654008
   0.62194899  0.31184037  0.02940285
   0.87727676  0.45044819  0.33454486
   0.04467958  0.35371951  0.18079616
   0.76451867  0.42666584  0.16243588
   0.72311433  0.14137523  0.40537498
   0.47130312  0.13218767  0.44060305
   0.64370661  0.06056073  0.57556165
   0.84224273  0.19849082  0.78378694
   0.61624824  0.31734470  0.52349968
   0.85167480  0.43845164  0.86245809
   0.96981251  0.47337153  0.68994336
   0.70309835  0.39641206  0.70619193
   0.74853022  0.07946667  0.94243049
   0.48000177  0.12605345  0.94948509
   0.56035103  0.55660834  0.07351805
   0.92104955  0.69637841  0.27283807
   0.59108967  0.81474095  0.03590324
   0.87842641  0.95471938  0.33160224
   0.93368576  0.89282528  0.15235555
   0.68985789  0.83929687  0.21990188
   0.80697256  0.66218354  0.45041626
   0.57196714  0.56299155  0.38217734
   0.63084443  0.58871526  0.56802878
   0.82197625  0.68125730  0.79037942
   0.58679425  0.82430886  0.44682837
   0.88843863  0.92641490  0.83225313
   0.92503451  0.84346870  0.64667131
   0.67820116  0.91419611  0.73933155
   0.77683361  0.64089371  0.98439602
   0.52698177  0.65717409  0.89669950
   0.70322502  0.80659238  0.58631816
   0.52905040  0.86829632  0.40690574
   0.89751830  0.26306660  0.06024905
   0.93688624  0.37401796  0.35242850
   0.32723664  0.11059018  0.64582577
   0.35219344  0.70192986  0.71101593
   0.18426456  1.09539970  0.17786897
   0.21447644  1.08210560  0.02563292
   0.63199516  0.29700801  0.85236832
   0.90066749  0.40847108  0.66637745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889736    0.277627   -0.006050
    -0.000000    9.828540   -0.007972
    -0.000000    0.000000   13.937729
   Si   O    H 
    32    64    10
Direct configuration=  1969
   0.15229782  0.17476033 -0.05144409
   0.35063568  0.10215774  0.37002895
   0.15571956  0.40478102  0.09925244
   0.38986419  0.35768721  0.25311134
   0.07670292  0.17569887  0.49051746
   0.40087999  0.12510085  0.85059009
   0.11195565  0.42589693  0.64022749
   0.37484691  0.37385692  0.74901855
   0.12745412  0.68001376 -0.00260234
   0.41383331  0.58833550  0.36685880
   0.08584503  0.89971883  0.13839356
   0.33681600  0.83395938  0.24946818
   0.17666569  0.65167420  0.49785439
   0.37391729  0.61834138  0.86587348
   0.06857044  0.90043562  0.60463772
   0.33987471  0.96960425  0.69014833
   0.62430333  0.14498016  1.00668121
   0.85796017  0.11836416  0.34759934
   0.61089321  0.41422300  0.12507907
   0.88602334  0.30648389  0.16739583
   0.61359266  0.16253696  0.48438772
   0.87142110  0.07847116  0.86688164
   0.60948233  0.43217707  0.61334653
   0.76402421  0.33584908  0.81072399
   0.61269701  0.66089779 -0.00574193
   0.92045965  0.59900988  0.37310880
   0.58609930  0.89353177  0.13082584
   0.84788607  0.85259260  0.24846590
   0.64444587  0.66423694  0.46196811
   0.86709723  0.60025616  0.88877908
   0.61794604  0.91241043  0.62331658
   0.82984672  0.83257564  0.74552802
   0.09695099  0.05953164  0.16095661
   0.36139293  0.19192160  0.27253561
   0.13483442  0.32333361 -0.00091664
   0.34457630  0.43948954  0.35194227
   0.54173459  0.34953280  0.21487338
   0.30444272  0.39844123  0.15433669
   0.21453139  0.13105218  0.43449949
  -0.02762193  0.20079909  0.40332743
   0.02833352  0.04802211  0.55681640
   0.45872864  0.23113416  0.76443490
   0.07863876  0.31538765  0.55544319
   0.38614659  0.45583444  0.84682552
   0.45328313  0.44191235  0.65875081
   0.21248862  0.37255878  0.72380260
   0.24432943  0.18987005 -0.14619069
   0.00056135  0.13338221  0.92494602
   0.12824662  0.57292446  0.08200482
   0.40654218  0.69160899  0.27735701
   0.11882054  0.84180064  0.03275275
   0.35471460  0.93862100  0.34352410
   0.41465100  0.89653642  0.15452295
   0.17505765  0.82030586  0.21811906
   0.33309439  0.65584257  0.46270297
   0.07079905  0.59409157  0.41868874
   0.19259110  0.55701690  0.59472661
   0.32133221  0.70977173  0.77698164
   0.11729711  0.79694165  0.52327014
   0.38250575  0.97595219  0.80765543
   0.45964716  0.86980763  0.63832366
   0.19443343  0.90657239  0.68317813
   0.27512758  0.66815623 -0.04915944
   0.01855027  0.65249605  0.90607137
   0.62573765  0.05707346  0.10414769
   0.83278811  0.19342519  0.24664478
   0.62283404  0.30933696  0.02987761
   0.87742828  0.45027804  0.33486271
   0.04367532  0.35416371  0.18114005
   0.76438480  0.42611614  0.16163175
   0.72320334  0.14291309  0.40501925
   0.47444281  0.13396563  0.44213418
   0.64368649  0.06001767  0.57607423
   0.84331413  0.19946941  0.78312195
   0.61643389  0.31798048  0.52365919
   0.85129001  0.43964562  0.86283510
   0.97181651  0.47368844  0.69009764
   0.70362934  0.39604315  0.70549533
   0.74907696  0.07893341  0.94337684
   0.48005141  0.12580118  0.94934575
   0.55858217  0.55748044  0.07292738
   0.91993741  0.69626132  0.27155107
   0.59195251  0.81390612  0.03458616
   0.87958724  0.95592168  0.33302571
   0.93245341  0.89266046  0.15204982
   0.68916819  0.83776175  0.21944885
   0.80683964  0.66304573  0.45019515
   0.57256644  0.56259638  0.38101635
   0.63056534  0.58718524  0.56756898
   0.82060630  0.68315121  0.79114954
   0.58702170  0.82399922  0.44764122
   0.88890976  0.92510405  0.83352044
   0.92444439  0.84568842  0.64698393
   0.67948514  0.91211259  0.74026079
   0.77838980  0.64178610  0.98391513
   0.52543347  0.65661557  0.89669336
   0.69351546  0.81169801  0.58529511
   0.53241246  0.88156231  0.40395610
   0.88788633  0.26255158  0.05954533
   0.93576448  0.36880570  0.35134304
   0.32549465  0.10622483  0.64306617
   0.34414364  0.70213570  0.71888695
   0.18887839  1.09461590  0.17468836
   0.21839180  1.08661212  0.02606969
   0.63727126  0.29376296  0.85671718
   0.90455950  0.40800051  0.66264861
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892103    0.276974   -0.007834
    -0.000000    9.828025   -0.007188
    -0.000000    0.000000   13.936522
   Si   O    H 
    32    64    10
Direct configuration=  1970
   0.15060975  0.17538616 -0.05052879
   0.34984587  0.10110153  0.36994393
   0.15657332  0.40411698  0.09931794
   0.38989037  0.35770064  0.25271512
   0.07564194  0.17478739  0.49186821
   0.40151476  0.12574777  0.85060184
   0.11165950  0.42547039  0.64048331
   0.37523583  0.37359027  0.74864422
   0.12674876  0.68010425 -0.00249761
   0.41381883  0.58738009  0.36738119
   0.08526076  0.90025956  0.13902913
   0.33641204  0.83465750  0.24956309
   0.17748852  0.65087652  0.49825832
   0.37366951  0.61889808  0.86679026
   0.06934138  0.89963318  0.60460806
   0.34102793  0.96965715  0.68923947
   0.62370701  0.14461567  1.00620839
   0.85836231  0.11836397  0.34819319
   0.61027732  0.41444867  0.12419811
   0.88525710  0.30531276  0.16793806
   0.61443137  0.16265720  0.48440884
   0.87072533  0.07894898  0.86870050
   0.60930174  0.43251193  0.61276064
   0.76469521  0.33524157  0.81155371
   0.61238040  0.66034267 -0.00576865
   0.92192487  0.59767939  0.37347092
   0.58552451  0.89355093  0.13086821
   0.84901028  0.85130890  0.24865337
   0.64557768  0.66202596  0.46147430
   0.86818072  0.59890405  0.88834134
   0.61766631  0.91157984  0.62325918
   0.82927001  0.83276347  0.74467461
   0.09576173  0.06053831  0.16075602
   0.36012760  0.19258724  0.27097188
   0.13328985  0.32266949 -0.00131639
   0.34253825  0.44035189  0.35230249
   0.54370849  0.34861197  0.21464413
   0.30526788  0.39725177  0.15453158
   0.21604129  0.13258466  0.43384994
  -0.02917862  0.20129590  0.40268363
   0.02905090  0.04705198  0.55580408
   0.45882796  0.23197044  0.76541085
   0.07909672  0.31488578  0.55389717
   0.38600602  0.45577604  0.84699633
   0.45370316  0.44307617  0.65843486
   0.21312206  0.37175249  0.72429661
   0.24297935  0.18922074 -0.14580333
  -0.00093802  0.13304623  0.92531446
   0.12551718  0.57096877  0.08297184
   0.40578011  0.69234927  0.27730384
   0.11847043  0.84097646  0.03304518
   0.35505398  0.93709062  0.34292176
   0.41441555  0.89583407  0.15381599
   0.17471142  0.82120389  0.21769436
   0.33453800  0.65534972  0.46378077
   0.07026776  0.59422197  0.41930008
   0.19065094  0.55690200  0.59336147
   0.32115337  0.71089112  0.77743754
   0.11790804  0.79604851  0.52232234
   0.38293151  0.97565970  0.80777075
   0.46027515  0.87215813  0.63844292
   0.19450271  0.90745926  0.68200725
   0.27286176  0.66869100 -0.04936119
   0.01888025  0.65202841  0.90425031
   0.62606198  0.05694451  0.10503651
   0.83300375  0.19483299  0.24672047
   0.62449656  0.30617758  0.03000175
   0.87790562  0.45010281  0.33519579
   0.04229456  0.35480627  0.18119747
   0.76522002  0.42589705  0.16102152
   0.72288117  0.14393795  0.40467939
   0.47711506  0.13545647  0.44309295
   0.64391408  0.05987771  0.57578697
   0.84425199  0.19966976  0.78288805
   0.61641329  0.31876316  0.52346318
   0.85053503  0.44230310  0.86313176
   0.97334726  0.47384369  0.69016805
   0.70504012  0.39548289  0.70483792
   0.74955961  0.07888624  0.94470021
   0.48042253  0.12591945  0.94913499
   0.55678898  0.55728602  0.07249002
   0.91927556  0.69576317  0.27126085
   0.59376750  0.81337012  0.03251580
   0.88188501  0.95772814  0.33525854
   0.92941784  0.89310260  0.15148402
   0.68832162  0.83592220  0.21905659
   0.80652422  0.66380012  0.45002256
   0.57342610  0.56143044  0.38017295
   0.63074293  0.58596462  0.56711957
   0.81941762  0.68444861  0.79228762
   0.58803924  0.82349672  0.44778366
   0.88922301  0.92337800  0.83452759
   0.92386931  0.84716717  0.64738683
   0.68080861  0.90966708  0.74090326
   0.78039813  0.64266964  0.98300960
   0.52423071  0.65588065  0.89665522
   0.69033268  0.80714701  0.57870512
   0.53601373  0.89033234  0.40010011
   0.88033509  0.25967717  0.06208049
   0.93398952  0.36704006  0.35082836
   0.32703766  0.09537983  0.64183550
   0.34637645  0.69986705  0.70260708
   0.18739769  1.09310194  0.17075364
   0.21956311  1.08821195  0.02212062
   0.64006966  0.29090973  0.85996073
   0.91022550  0.41088088  0.66034352
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894514    0.276398   -0.009269
    -0.000000    9.827246   -0.005619
    -0.000000    0.000000   13.935604
   Si   O    H 
    32    64    10
Direct configuration=  1971
   0.14856287  0.17531774 -0.04958330
   0.34895049  0.10046133  0.36981992
   0.15728681  0.40295627  0.09958372
   0.38971728  0.35739023  0.25191180
   0.07515512  0.17422094  0.49332324
   0.40262827  0.12640858  0.85077592
   0.11162439  0.42454766  0.64046170
   0.37579751  0.37335683  0.74815242
   0.12630444  0.68026936 -0.00230440
   0.41425125  0.58685076  0.36826433
   0.08446248  0.90088112  0.13965456
   0.33565185  0.83539397  0.24910923
   0.17871229  0.64963573  0.49846539
   0.37337476  0.62011714  0.86782398
   0.06963427  0.89885778  0.60463470
   0.34152778  0.96926685  0.68865491
   0.62353276  0.14439408  1.00569505
   0.85859100  0.11867201  0.34845077
   0.61057435  0.41474012  0.12282420
   0.88355049  0.30408915  0.16770331
   0.61548879  0.16257900  0.48437943
   0.87036306  0.07966211  0.87025492
   0.60851988  0.43193064  0.61245221
   0.76438746  0.33450169  0.81200902
   0.61132318  0.66004534 -0.00580131
   0.92311720  0.59680481  0.37322734
   0.58492965  0.89330303  0.13124423
   0.84961980  0.85028697  0.24894729
   0.64624633  0.66006166  0.46073036
   0.86925660  0.59856480  0.88838214
   0.61775214  0.91077542  0.62310113
   0.82896715  0.83251279  0.74408221
   0.09500650  0.06183474  0.16040179
   0.35973665  0.19423453  0.27026934
   0.13188705  0.32176113 -0.00132247
   0.34067181  0.44084857  0.35244995
   0.54540380  0.34778305  0.21438604
   0.30633982  0.39608021  0.15451022
   0.21754668  0.13357048  0.43321198
  -0.02998142  0.20139616  0.40209229
   0.02867649  0.04579171  0.55503796
   0.45862421  0.23209950  0.76676033
   0.07951724  0.31404432  0.55322013
   0.38549294  0.45630118  0.84695259
   0.45411326  0.44419659  0.65849548
   0.21338817  0.37129468  0.72457021
   0.24116435  0.18848770 -0.14550919
  -0.00191368  0.13307327  0.92502883
   0.12278235  0.56921597  0.08378439
   0.40498918  0.69254543  0.27778685
   0.11778484  0.83986167  0.03407502
   0.35509657  0.93636423  0.34185799
   0.41472950  0.89611375  0.15365314
   0.17460321  0.82230860  0.21743011
   0.33580423  0.65488010  0.46483524
   0.07016091  0.59371568  0.42028575
   0.18895717  0.55712877  0.59214729
   0.32102949  0.71199991  0.77726785
   0.11781904  0.79549522  0.52151403
   0.38355203  0.97566117  0.80777359
   0.46015977  0.87459378  0.63873374
   0.19375853  0.90779178  0.68065807
   0.27176847  0.66865654 -0.04976372
   0.01919510  0.65286567  0.90331989
   0.62624611  0.05715000  0.10585810
   0.83350598  0.19656821  0.24681832
   0.62576457  0.30350015  0.03022481
   0.87876159  0.45000831  0.33588696
   0.04141676  0.35522076  0.18121524
   0.76608954  0.42609038  0.16017747
   0.72273192  0.14468733  0.40447511
   0.47830728  0.13725158  0.44412633
   0.64384366  0.05952494  0.57528090
   0.84580150  0.19944118  0.78297348
   0.61640386  0.31853153  0.52325431
   0.85033057  0.44528400  0.86395180
   0.97426084  0.47376126  0.68962037
   0.70706053  0.39579770  0.70388540
   0.75013093  0.07963230  0.94592194
   0.48078811  0.12628371  0.94913693
   0.55519878  0.55620368  0.07267707
   0.91848702  0.69533725  0.27133244
   0.59588452  0.81259120  0.03064976
   0.88404382  0.95912611  0.33758532
   0.92702146  0.89316923  0.15080877
   0.68661209  0.83454960  0.21880522
   0.80623427  0.66453172  0.45000623
   0.57422084  0.55983357  0.37963878
   0.63161142  0.58451114  0.56666020
   0.81845727  0.68519366  0.79313734
   0.58930285  0.82270206  0.44763796
   0.88975536  0.92214170  0.83540562
   0.92335363  0.84795367  0.64777129
   0.68235271  0.90794814  0.74127692
   0.78212991  0.64330526  0.98159798
   0.52424975  0.65525460  0.89722636
   0.69400179  0.79843723  0.57169080
   0.54654290  0.89006165  0.40151123
   0.87549917  0.25481534  0.06890924
   0.93133688  0.37379179  0.35231529
   0.32746666  0.09190382  0.63760256
   0.34294079  0.69924836  0.69845459
   0.18679465  1.09034910  0.16694086
   0.22256570  1.08943661  0.01731953
   0.64308064  0.29576432  0.86353913
   0.90942775  0.41539120  0.65949580
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897002    0.276499   -0.010739
    -0.000000    9.826513   -0.004073
    -0.000000    0.000000   13.934774
   Si   O    H 
    32    64    10
Direct configuration=  1972
   0.14657698  0.17614774 -0.04909691
   0.34760738  0.10021776  0.36994859
   0.15757396  0.40203223  0.09986037
   0.38917523  0.35683208  0.25131064
   0.07508621  0.17372645  0.49439178
   0.40373380  0.12699996  0.85054727
   0.11234507  0.42407860  0.64031114
   0.37644236  0.37370598  0.74767835
   0.12572297  0.68109305 -0.00224182
   0.41489519  0.58672175  0.36913888
   0.08353109  0.90187004  0.13981697
   0.33474274  0.83649004  0.24824486
   0.17958185  0.64795193  0.49884653
   0.37307844  0.62145974  0.86863659
   0.07022700  0.89831738  0.60486403
   0.34165164  0.96908378  0.68793307
   0.62318743  0.14414261  1.00517277
   0.85856397  0.11910710  0.34856903
   0.61057549  0.41442332  0.12152487
   0.88183006  0.30261112  0.16712175
   0.61700587  0.16255487  0.48488372
   0.86982772  0.07998597  0.87151801
   0.60732682  0.43155995  0.61207235
   0.76415180  0.33398301  0.81231001
   0.61091334  0.65979480 -0.00550433
   0.92353494  0.59627054  0.37333032
   0.58433036  0.89265404  0.13169380
   0.85021162  0.84923180  0.24986301
   0.64670656  0.65802010  0.45973747
   0.87103490  0.59878365  0.88841467
   0.61767143  0.91008145  0.62262765
   0.82874568  0.83298249  0.74324141
   0.09409581  0.06371810  0.15967836
   0.35852955  0.19579498  0.27022039
   0.13121005  0.32180229 -0.00078831
   0.33877326  0.44078890  0.35198942
   0.54713134  0.34672980  0.21442936
   0.30698225  0.39541546  0.15410748
   0.21921381  0.13470901  0.43294825
  -0.02934900  0.20250091  0.40235936
   0.02813729  0.04551086  0.55441962
   0.45829263  0.23205922  0.76800664
   0.07959840  0.31399390  0.55327243
   0.38438965  0.45682360  0.84768788
   0.45443847  0.44462912  0.65851863
   0.21351659  0.37144336  0.72487988
   0.24030939  0.18844576 -0.14491361
  -0.00156370  0.13260756  0.92509341
   0.12049795  0.56781279  0.08439113
   0.40450605  0.69283783  0.27875015
   0.11722998  0.83869916  0.03485014
   0.35518511  0.93539695  0.34060310
   0.41556591  0.89704483  0.15374521
   0.17388955  0.82247385  0.21760183
   0.33766291  0.65380420  0.46476694
   0.06960325  0.59223561  0.42146788
   0.18710039  0.55691977  0.59098948
   0.32069589  0.71355993  0.77705748
   0.11738096  0.79556536  0.52119115
   0.38368977  0.97616399  0.80736268
   0.46046626  0.87660265  0.63880958
   0.19278917  0.90818084  0.67908861
   0.27033346  0.66894024 -0.04980706
   0.01999495  0.65316161  0.90288510
   0.62635591  0.05672713  0.10720950
   0.83400350  0.19737931  0.24713365
   0.62691701  0.30076853  0.03027484
   0.87896209  0.45047599  0.33591484
   0.04082943  0.35591246  0.18103669
   0.76736510  0.42638892  0.15942692
   0.72191137  0.14461756  0.40431157
   0.47841442  0.13940344  0.44448982
   0.64367858  0.05922712  0.57489045
   0.84817562  0.19956461  0.78294450
   0.61618068  0.31866696  0.52365661
   0.85081130  0.44838392  0.86430078
   0.97469336  0.47393733  0.68924279
   0.70887956  0.39568849  0.70272148
   0.75065768  0.08029001  0.94750410
   0.48094421  0.12677880  0.94924560
   0.55368709  0.55459658  0.07359464
   0.91659926  0.69449249  0.27190891
   0.59913035  0.81164988  0.02911699
   0.88641769  0.95940561  0.33926960
   0.92400360  0.89287022  0.15030140
   0.68516359  0.83315596  0.21821655
   0.80699445  0.66500667  0.44954288
   0.57529542  0.55887042  0.37949354
   0.63187825  0.58332401  0.56622049
   0.81750339  0.68528742  0.79384559
   0.59085277  0.82215368  0.44678952
   0.89071068  0.92097351  0.83630487
   0.92297381  0.84818062  0.64848519
   0.68302420  0.90624527  0.74115068
   0.78292407  0.64293120  0.98075106
   0.52365122  0.65497938  0.89782184
   0.69321937  0.79011549  0.57090052
   0.55728593  0.88686598  0.40524124
   0.87162770  0.24852821  0.07585046
   0.93602693  0.37254855  0.35346966
   0.33108684  0.09048034  0.62765534
   0.33828969  0.69787943  0.70654296
   0.18832225  1.09139255  0.16402467
   0.22849061  1.08885115  0.01360328
   0.64693163  0.30165661  0.86789629
   0.90256028  0.42089538  0.65603495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899598    0.276193   -0.012487
    -0.000000    9.825873   -0.002438
    -0.000000    0.000000   13.934587
   Si   O    H 
    32    64    10
Direct configuration=  1973
   0.14531549  0.17628795 -0.04896079
   0.34734501  0.09984055  0.36982307
   0.15737185  0.40184978  0.10044387
   0.38817613  0.35554772  0.25090619
   0.07511181  0.17336449  0.49523723
   0.40437399  0.12729018  0.85076021
   0.11304517  0.42312515  0.64051673
   0.37716704  0.37388183  0.74703591
   0.12531156  0.68186037 -0.00277581
   0.41585184  0.58684215  0.36990883
   0.08287574  0.90214612  0.13953621
   0.33445861  0.83756693  0.24756206
   0.18037552  0.64634441  0.49901031
   0.37271616  0.62274465  0.86946745
   0.07104784  0.89826119  0.60488798
   0.34145201  0.96949740  0.68714635
   0.62303878  0.14313126  1.00468316
   0.85819702  0.11961242  0.34852210
   0.61034095  0.41373904  0.12058480
   0.88046066  0.30159483  0.16659618
   0.61834308  0.16202072  0.48552745
   0.86958153  0.07983895  0.87262181
   0.60541198  0.43208512  0.61195540
   0.76361927  0.33398116  0.81253527
   0.61100450  0.65899593 -0.00546373
   0.92450299  0.59635830  0.37330228
   0.58397895  0.89292995  0.13139404
   0.85096153  0.84763482  0.25084741
   0.64689725  0.65605600  0.45941586
   0.87235265  0.60011924  0.88860811
   0.61776319  0.90937290  0.62219521
   0.82847114  0.83345968  0.74309285
   0.09373104  0.06589730  0.15879486
   0.35759327  0.19678624  0.27021626
   0.13124215  0.32196604 -0.00030557
   0.33731549  0.44150521  0.35004007
   0.54862405  0.34556285  0.21497043
   0.30804424  0.39444150  0.15371284
   0.21966404  0.13570174  0.43316539
  -0.02828089  0.20381120  0.40285920
   0.02797980  0.04551388  0.55403118
   0.45803015  0.23166888  0.76969249
   0.07963230  0.31382375  0.55357697
   0.38370026  0.45771533  0.84888804
   0.45561243  0.44381321  0.65850286
   0.21402758  0.37133424  0.72567781
   0.23917567  0.18903959 -0.14452612
  -0.00114119  0.13173393  0.92460543
   0.11909283  0.56578131  0.08520434
   0.40495440  0.69318193  0.27983224
   0.11715023  0.83756891  0.03533492
   0.35516767  0.93508853  0.33950255
   0.41649586  0.89777678  0.15404383
   0.17415504  0.82199105  0.21786339
   0.33991177  0.65373598  0.46431257
   0.06916682  0.59123359  0.42261149
   0.18509404  0.55596922  0.59057816
   0.31993863  0.71487780  0.77660986
   0.11606649  0.79603231  0.52024533
   0.38384275  0.97721038  0.80631679
   0.46107063  0.87845173  0.63865553
   0.19187355  0.90907330  0.67767649
   0.26930127  0.67038604 -0.04979609
   0.02098154  0.65313235  0.90309589
   0.62658345  0.05607055  0.10856838
   0.83388634  0.19815723  0.24787677
   0.62758164  0.29835883  0.03042557
   0.87938231  0.45100541  0.33581754
   0.04009323  0.35607628  0.18063777
   0.76879557  0.42720417  0.15910582
   0.72132945  0.14426699  0.40336791
   0.47699899  0.14044243  0.44473925
   0.64355909  0.05815301  0.57416387
   0.85066574  0.19996126  0.78317620
   0.61672506  0.31886562  0.52457174
   0.85115478  0.44983313  0.86395580
   0.97469766  0.47395099  0.68910575
   0.71073566  0.39562529  0.70146235
   0.75037923  0.08060484  0.94923177
   0.48074076  0.12762755  0.94938009
   0.55194360  0.55281460  0.07543707
   0.91437012  0.69331140  0.27253315
   0.60289959  0.80963759  0.02818144
   0.88823992  0.95982345  0.34045698
   0.92140680  0.89255653  0.15014962
   0.68319879  0.83291111  0.21718237
   0.80897267  0.66496163  0.44876641
   0.57574825  0.55757277  0.37981634
   0.63191701  0.58193500  0.56565997
   0.81720148  0.68504937  0.79469836
   0.59372909  0.82082048  0.44657910
   0.89313763  0.92050106  0.83700434
   0.92252033  0.84838726  0.64974329
   0.68339778  0.90525318  0.74063344
   0.78288925  0.64275545  0.97977452
   0.52402282  0.65456051  0.89824450
   0.69321531  0.78868169  0.57649705
   0.55859215  0.88835789  0.40148424
   0.86621010  0.23683695  0.07841657
   0.93769993  0.37126256  0.35268092
   0.33555209  0.09024755  0.61622775
   0.33363607  0.69922184  0.71867830
   0.18785728  1.09314196  0.16189253
   0.23335569  1.08576587  0.00944232
   0.65186052  0.31042140  0.87038163
   0.89921934  0.43085809  0.65544301
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902120    0.275309   -0.014092
    -0.000000    9.825146   -0.000830
    -0.000000    0.000000   13.934895
   Si   O    H 
    32    64    10
Direct configuration=  1974
   0.14442682  0.17641569 -0.04881809
   0.34679496  0.09975914  0.36942314
   0.15722196  0.40184233  0.10098612
   0.38724232  0.35400732  0.25005383
   0.07536695  0.17342115  0.49544706
   0.40404332  0.12707644  0.85090115
   0.11441019  0.42247361  0.64071259
   0.37780596  0.37398749  0.74665970
   0.12483408  0.68294651 -0.00343833
   0.41609200  0.58699413  0.37048151
   0.08178181  0.90222941  0.13928392
   0.33397525  0.83838331  0.24696326
   0.18126842  0.64496753  0.49911738
   0.37232363  0.62362381  0.87004300
   0.07135264  0.89798041  0.60462557
   0.34160713  0.97002295  0.68644557
   0.62242216  0.14233178  1.00458447
   0.85748606  0.11993577  0.34844071
   0.61031798  0.41284379  0.11987420
   0.87889223  0.30145692  0.16613398
   0.61952245  0.16126975  0.48654400
   0.86949148  0.07961915  0.87343853
   0.60398033  0.43253673  0.61174277
   0.76343015  0.33455780  0.81273136
   0.61148466  0.65830663 -0.00555308
   0.92512282  0.59627988  0.37343104
   0.58428665  0.89335234  0.13078492
   0.85116669  0.84660555  0.25163883
   0.64699406  0.65419250  0.45872996
   0.87353362  0.60156333  0.88849186
   0.61780951  0.90834870  0.62133940
   0.82845510  0.83344315  0.74317680
   0.09346785  0.06827101  0.15794803
   0.35680521  0.19684775  0.27075841
   0.13165753  0.32256611  0.00084020
   0.33530279  0.44250838  0.34860076
   0.54951498  0.34485356  0.21504053
   0.30975726  0.39341216  0.15336866
   0.22021647  0.13616979  0.43396285
  -0.02714338  0.20487096  0.40374847
   0.02665982  0.04580735  0.55374531
   0.45795497  0.23079731  0.77088769
   0.07955592  0.31394550  0.55338339
   0.38279936  0.45864018  0.84988437
   0.45649768  0.44327146  0.65866245
   0.21523213  0.37166732  0.72596596
   0.23847432  0.18911793 -0.14328050
  -0.00017652  0.13119216  0.92393681
   0.11830165  0.56335080  0.08549782
   0.40538526  0.69230391  0.28027756
   0.11686566  0.83656551  0.03531706
   0.35502251  0.93491589  0.33913819
   0.41742501  0.89826088  0.15436632
   0.17483863  0.82115826  0.21867027
   0.34155153  0.65340236  0.46409073
   0.06814111  0.59039312  0.42394592
   0.18267985  0.55487488  0.59091959
   0.31923806  0.71519539  0.77712919
   0.11577332  0.79604088  0.51956973
   0.38475154  0.97804138  0.80485834
   0.46062196  0.87982160  0.63748016
   0.19162954  0.90983007  0.67632931
   0.26789343  0.67212914 -0.04972163
   0.02249231  0.65279903  0.90362187
   0.62642315  0.05555517  0.10990684
   0.83368269  0.19946428  0.24803404
   0.62886947  0.29679406  0.03109964
   0.87975201  0.45084626  0.33529864
   0.03967645  0.35606443  0.18001014
   0.77036525  0.42808684  0.15895501
   0.72126059  0.14386127  0.40258811
   0.47414156  0.14134138  0.44471032
   0.64316763  0.05735802  0.57362342
   0.85283146  0.20039496  0.78351319
   0.61692013  0.31852024  0.52611516
   0.85181987  0.45043144  0.86380435
   0.97471168  0.47394344  0.68921896
   0.71246732  0.39554150  0.70036187
   0.75003014  0.08050414  0.95054661
   0.48162659  0.12879197  0.94998426
   0.55048137  0.55237169  0.07785682
   0.91219237  0.69249589  0.27317173
   0.60576753  0.80878235  0.02783765
   0.88965408  0.96015006  0.34080611
   0.91853842  0.89161396  0.14993729
   0.68184488  0.83226609  0.21608409
   0.81076189  0.66432784  0.44821571
   0.57645617  0.55659743  0.38037046
   0.63133893  0.58047563  0.56543105
   0.81696922  0.68509507  0.79539906
   0.59652755  0.82014628  0.44568048
   0.89520460  0.92061162  0.83752208
   0.92131568  0.84914586  0.65091833
   0.68324070  0.90389879  0.73926591
   0.78221529  0.64265983  0.97968955
   0.52402682  0.65515226  0.89873262
   0.69371413  0.79074953  0.58405695
   0.55754863  0.88761191  0.39778152
   0.86426039  0.22717669  0.07649869
   0.93825464  0.37323843  0.35187974
   0.33808487  0.09286680  0.60892145
   0.33552464  0.69361110  0.70523642
   0.18595482  1.09611402  0.15948505
   0.23596972  1.07938916  0.00503941
   0.65439574  0.32006008  0.87427892
   0.89855109  0.44165895  0.65819423
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904780    0.274087   -0.015761
    -0.000000    9.824547    0.001140
    -0.000000    0.000000   13.935075
   Si   O    H 
    32    64    10
Direct configuration=  1975
   0.14364751  0.17711788 -0.04853630
   0.34708305  0.09982213  0.36945648
   0.15715889  0.40146171  0.10144542
   0.38664420  0.35266068  0.24932023
   0.07553921  0.17378925  0.49558669
   0.40359558  0.12673730  0.85069379
   0.11547435  0.42259653  0.64050194
   0.37813437  0.37397503  0.74609566
   0.12424904  0.68436946 -0.00433285
   0.41626536  0.58705440  0.37076117
   0.08031885  0.90242616  0.13953425
   0.33328983  0.83920304  0.24652283
   0.18186849  0.64393414  0.49890720
   0.37150735  0.62413420  0.87048734
   0.07107183  0.89764958  0.60420758
   0.34170479  0.97086261  0.68603898
   0.62213197  0.14148453  1.00445674
   0.85710956  0.11994310  0.34782417
   0.61111960  0.41165529  0.11950453
   0.87770710  0.30192874  0.16563354
   0.62020209  0.16086108  0.48717345
   0.86949454  0.07916914  0.87426543
   0.60312851  0.43274326  0.61182923
   0.76331571  0.33524351  0.81245663
   0.61243904  0.65746175 -0.00549326
   0.92555980  0.59613227  0.37361458
   0.58457371  0.89342393  0.13026652
   0.85049734  0.84585221  0.25202652
   0.64671030  0.65274480  0.45843323
   0.87424325  0.60324531  0.88813921
   0.61878409  0.90735913  0.62074704
   0.82873793  0.83294450  0.74365395
   0.09413486  0.07013684  0.15687275
   0.35601647  0.19628610  0.27094454
   0.13209475  0.32308714  0.00254691
   0.33436413  0.44373116  0.34701496
   0.54969980  0.34459952  0.21524177
   0.31091556  0.39224669  0.15237989
   0.22020567  0.13613522  0.43548585
  -0.02581088  0.20565607  0.40410975
   0.02587669  0.04586054  0.55346817
   0.45803424  0.23014904  0.77207583
   0.08036424  0.31435286  0.55318563
   0.38167222  0.45956475  0.85005787
   0.45685527  0.44249045  0.65891846
   0.21649316  0.37216832  0.72594870
   0.23842307  0.18972709 -0.14173259
   0.00062168  0.13103350  0.92361163
   0.11759468  0.56210510  0.08576581
   0.40657973  0.69150472  0.28067852
   0.11597432  0.83486702  0.03556552
   0.35581011  0.93443902  0.33932651
   0.41830658  0.89944568  0.15440423
   0.17491100  0.81970329  0.21936492
   0.34293862  0.65324592  0.46386871
   0.06740124  0.58966798  0.42502660
   0.18054528  0.55321949  0.59136126
   0.31881207  0.71390580  0.77743845
   0.11552209  0.79584118  0.51848310
   0.38530524  0.97800412  0.80351239
   0.45980699  0.88046730  0.63691999
   0.19172934  0.91138802  0.67566439
   0.26699561  0.67337479 -0.04976491
   0.02569005  0.65280289  0.90415548
   0.62577117  0.05431890  0.11087252
   0.83314776  0.20003116  0.24838630
   0.63008231  0.29618414  0.03162070
   0.87996102  0.45029806  0.33511391
   0.03953894  0.35568868  0.17951571
   0.77144938  0.42948396  0.15914417
   0.72112313  0.14362980  0.40207973
   0.47037511  0.14161294  0.44469910
   0.64259327  0.05672297  0.57363562
   0.85469620  0.20050754  0.78428975
   0.61711641  0.31858047  0.52732930
   0.85268909  0.44996079  0.86366327
   0.97572618  0.47402050  0.69011246
   0.71355220  0.39500959  0.69978755
   0.74974844  0.08063191  0.95111577
   0.48225388  0.12921473  0.95063180
   0.54912589  0.55226392  0.07992043
   0.91086320  0.69217214  0.27411436
   0.60883245  0.80800300  0.02733563
   0.89089256  0.96077050  0.34122493
   0.91674973  0.89024143  0.14989273
   0.68115343  0.83171899  0.21537305
   0.81286371  0.66283959  0.44785713
   0.57723471  0.55551785  0.38040378
   0.63061862  0.57910506  0.56548598
   0.81678771  0.68537238  0.79550515
   0.59886904  0.81972407  0.44504686
   0.89741501  0.92117984  0.83784678
   0.92029419  0.84981915  0.65249298
   0.68273845  0.90340255  0.73741597
   0.78196668  0.64260361  0.98032817
   0.52373724  0.65537472  0.89973170
   0.69341441  0.79507999  0.59084858
   0.55575392  0.88255732  0.39777121
   0.86575195  0.21598066  0.07624777
   0.94087906  0.37600367  0.35327326
   0.33744746  0.09303875  0.60795114
   0.33611521  0.69106801  0.70154649
   0.18683283  1.09947199  0.15841301
   0.23555056  1.07254518  0.00184906
   0.64897332  0.32788444  0.87978529
   0.88524409  0.44967134  0.65710625
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907432    0.272876   -0.017854
    -0.000000    9.823609    0.002907
    -0.000000    0.000000   13.935047
   Si   O    H 
    32    64    10
Direct configuration=  1976
   0.14367989  0.17735589 -0.04818626
   0.34764478  0.10052452  0.36966146
   0.15660227  0.40140376  0.10189531
   0.38637780  0.35164696  0.24902701
   0.07610456  0.17434435  0.49513053
   0.40273755  0.12595002  0.85123325
   0.11567193  0.42216873  0.64000223
   0.37854973  0.37426874  0.74570760
   0.12356289  0.68539572 -0.00494666
   0.41604159  0.58665732  0.37104938
   0.07937876  0.90292711  0.13941959
   0.33273526  0.83988044  0.24622661
   0.18225760  0.64311904  0.49866519
   0.37113377  0.62507542  0.87065402
   0.06998417  0.89782658  0.60374291
   0.34207467  0.97160393  0.68564095
   0.62231731  0.14071160  1.00470203
   0.85646795  0.12015640  0.34719842
   0.61203600  0.41072627  0.11908962
   0.87693677  0.30281543  0.16517607
   0.62090083  0.15980996  0.48765953
   0.86916470  0.07852427  0.87459514
   0.60291954  0.43328985  0.61183339
   0.76324600  0.33573969  0.81194706
   0.61391420  0.65644021 -0.00500491
   0.92575733  0.59631525  0.37364097
   0.58484764  0.89364771  0.13037782
   0.84963392  0.84489977  0.25223124
   0.64651431  0.65182031  0.45823444
   0.87424262  0.60568943  0.88767486
   0.61985164  0.90640551  0.62044861
   0.82877625  0.83248994  0.74468891
   0.09439246  0.07126435  0.15564515
   0.35555809  0.19461450  0.27190337
   0.13212295  0.32344917  0.00393756
   0.33469402  0.44463793  0.34560847
   0.54930070  0.34491781  0.21562067
   0.31163237  0.39076801  0.15163756
   0.21964429  0.13665847  0.43704590
  -0.02424833  0.20596869  0.40479577
   0.02451650  0.04586092  0.55335503
   0.45823562  0.22952686  0.77272588
   0.08179126  0.31442265  0.55360482
   0.38072435  0.46056549  0.84956949
   0.45666390  0.44166045  0.65904238
   0.21729010  0.37213319  0.72556215
   0.23876169  0.19015226 -0.14095327
   0.00078156  0.13040848  0.92354851
   0.11799820  0.56172447  0.08524070
   0.40790814  0.69085267  0.28141387
   0.11521456  0.83476895  0.03603292
   0.35685124  0.93457552  0.33907671
   0.41963170  0.90036071  0.15494633
   0.17515515  0.81815194  0.21984549
   0.34416387  0.65308996  0.46424267
   0.06751277  0.58857376  0.42585621
   0.17884643  0.55145477  0.59173960
   0.31892843  0.71285871  0.77735843
   0.11560977  0.79569281  0.51709055
   0.38502055  0.97759540  0.80276407
   0.45887351  0.88078304  0.63651773
   0.19180042  0.91176432  0.67509664
   0.26659121  0.67563228 -0.04997377
   0.02850793  0.65256940  0.90475581
   0.62510960  0.05305410  0.11254315
   0.83335178  0.20039983  0.24851265
   0.63119684  0.29707041  0.03211322
   0.87932371  0.44899902  0.33501524
   0.03932128  0.35583055  0.17889628
   0.77256044  0.43050515  0.15878481
   0.72060646  0.14411476  0.40138488
   0.46633163  0.14181364  0.44452394
   0.64300263  0.05605926  0.57393893
   0.85589652  0.20108813  0.78499023
   0.61737325  0.31813981  0.52839473
   0.85320066  0.44833149  0.86302177
   0.97481609  0.47413279  0.69088281
   0.71469344  0.39529041  0.69959582
   0.74993190  0.08110146  0.95163130
   0.48194293  0.12973144  0.95173086
   0.54826262  0.55178882  0.08184031
   0.91021218  0.69210112  0.27584106
   0.61092605  0.80868771  0.02771762
   0.89212361  0.96085950  0.34140780
   0.91543893  0.88867023  0.15013898
   0.68046901  0.83092001  0.21521949
   0.81469740  0.66122339  0.44732105
   0.57772051  0.55432593  0.38120926
   0.63071627  0.57953790  0.56491835
   0.81698171  0.68556497  0.79505110
   0.60195600  0.81834602  0.44455440
   0.89949355  0.92202320  0.83844338
   0.91996169  0.84979077  0.65357099
   0.68182777  0.90341955  0.73563299
   0.78174044  0.64136176  0.98114773
   0.52297165  0.65478159  0.90025548
   0.69676568  0.79699047  0.59643915
   0.55549500  0.87012716  0.39855204
   0.86641854  0.20943115  0.07722813
   0.94338922  0.37576674  0.35358972
   0.33950338  0.09000371  0.61009287
   0.33397515  0.69137387  0.70745356
   0.18984492  1.10215742  0.15981159
   0.23069957  1.07310106 -0.00176207
   0.64419020  0.33115202  0.88277770
   0.88261847  0.45742021  0.66130677
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909731    0.271204   -0.019811
    -0.000000    9.822548    0.004524
    -0.000000    0.000000   13.935330
   Si   O    H 
    32    64    10
Direct configuration=  1977
   0.14423711  0.17749467 -0.04796833
   0.34817215  0.10080053  0.36965277
   0.15557453  0.40180345  0.10270492
   0.38637976  0.35066808  0.24917099
   0.07698870  0.17473919  0.49482651
   0.40172848  0.12472164  0.85179819
   0.11536720  0.42156365  0.63967270
   0.37849892  0.37521444  0.74561967
   0.12291751  0.68612510 -0.00548188
   0.41573706  0.58562293  0.37136180
   0.07808802  0.90341609  0.13911521
   0.33198023  0.84085847  0.24563000
   0.18287264  0.64296540  0.49857339
   0.37096924  0.62600754  0.87100580
   0.06832507  0.89803662  0.60331101
   0.34298436  0.97252954  0.68495149
   0.62270108  0.14024698  1.00552004
   0.85630929  0.12109236  0.34632441
   0.61357294  0.40951156  0.11841748
   0.87646078  0.30294332  0.16513295
   0.62100000  0.15955774  0.48827828
   0.86945106  0.07804919  0.87471839
   0.60253148  0.43389447  0.61210193
   0.76263620  0.33567964  0.81131758
   0.61527369  0.65499462 -0.00400859
   0.92560042  0.59658971  0.37342747
   0.58443266  0.89378211  0.13001323
   0.84881301  0.84432357  0.25221751
   0.64687535  0.65156528  0.45801585
   0.87416660  0.60731095  0.88701149
   0.61964199  0.90521076  0.62023028
   0.82873380  0.83231199  0.74601898
   0.09535096  0.07196521  0.15456830
   0.35454174  0.19225918  0.27281149
   0.13305101  0.32320980  0.00546662
   0.33522974  0.44445192  0.34417970
   0.54820627  0.34590252  0.21623283
   0.31225694  0.38923681  0.15049278
   0.21894261  0.13633686  0.43835326
  -0.02296403  0.20640849  0.40507915
   0.02367671  0.04550397  0.55406256
   0.45877891  0.22858737  0.77293589
   0.08307843  0.31456290  0.55417606
   0.37964876  0.46120367  0.84884676
   0.45649145  0.44084360  0.65936802
   0.21874872  0.37122464  0.72449544
   0.23932213  0.19025575 -0.14054021
  -0.00011130  0.12958401  0.92358942
   0.11848881  0.56283315  0.08482633
   0.40927649  0.69146099  0.28208626
   0.11470175  0.83480063  0.03704403
   0.35830186  0.93644074  0.33893553
   0.42049653  0.90034752  0.15532904
   0.17543875  0.81668162  0.22041020
   0.34424570  0.65338210  0.46509216
   0.06931096  0.58836266  0.42680282
   0.17769321  0.54952207  0.59180131
   0.31920874  0.71175532  0.77722467
   0.11570244  0.79575303  0.51566872
   0.38412956  0.97693649  0.80193774
   0.45874293  0.88030182  0.63636485
   0.19188011  0.91300070  0.67483165
   0.26563972  0.67761170 -0.04974787
   0.03053970  0.65295659  0.90566775
   0.62497392  0.05298061  0.11308658
   0.83318597  0.19988219  0.24837204
   0.63221146  0.29762098  0.03265166
   0.87835268  0.44846764  0.33519320
   0.03877698  0.35631936  0.17803789
   0.77261067  0.43140614  0.15818740
   0.71996664  0.14476730  0.40055128
   0.46240878  0.14139930  0.44454271
   0.64398750  0.05508367  0.57454779
   0.85636178  0.20214507  0.78591712
   0.61754845  0.31811583  0.53015961
   0.85434418  0.44658475  0.86265702
   0.97367990  0.47446432  0.69118760
   0.71504939  0.39616844  0.69975384
   0.74967949  0.08092516  0.95200219
   0.48106731  0.13041097  0.95221810
   0.54818461  0.55269672  0.08355665
   0.90966108  0.69225246  0.27775054
   0.61265237  0.80973257  0.02893826
   0.89404041  0.96118205  0.34117860
   0.91457168  0.88764224  0.15028960
   0.68113209  0.82944021  0.21608680
   0.81546286  0.66004719  0.44664354
   0.57694738  0.55267238  0.38195012
   0.63036687  0.58157047  0.56482280
   0.81714687  0.68561925  0.79377448
   0.60458270  0.81693605  0.44457000
   0.90146295  0.92327554  0.83841120
   0.91944360  0.84979138  0.65483481
   0.68118992  0.90369091  0.73376855
   0.78145378  0.63935626  0.98168311
   0.52277446  0.65393413  0.90052094
   0.70241642  0.79043080  0.59799931
   0.55252070  0.86140453  0.39515292
   0.86680458  0.20575927  0.08019923
   0.94082626  0.37691768  0.35161509
   0.34058566  0.08631196  0.61647922
   0.32800067  0.69276775  0.71783625
   0.18938130  1.10316726  0.16105971
   0.22373692  1.07113309 -0.00611616
   0.64298360  0.33490105  0.88072856
   0.88907147  0.46565872  0.66614712
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912320    0.269701   -0.021956
    -0.000000    9.821017    0.006155
    -0.000000    0.000000   13.935997
   Si   O    H 
    32    64    10
Direct configuration=  1978
   0.14551348  0.17707557 -0.04782644
   0.34855282  0.10058775  0.36912710
   0.15461567  0.40254182  0.10373163
   0.38685520  0.34961378  0.24981867
   0.07824564  0.17509309  0.49474393
   0.40031694  0.12392548  0.85240732
   0.11429180  0.42089774  0.63957729
   0.37763943  0.37615689  0.74591261
   0.12190243  0.68580558 -0.00617441
   0.41517521  0.58491146  0.37103659
   0.07703122  0.90387871  0.13926422
   0.33184044  0.84139935  0.24533799
   0.18372402  0.64290904  0.49837157
   0.37035932  0.62648541  0.87072347
   0.06670321  0.89832138  0.60266646
   0.34363759  0.97400512  0.68421199
   0.62269775  0.14012229  1.00689551
   0.85619003  0.12144403  0.34510564
   0.61507498  0.40778693  0.11764019
   0.87582349  0.30247321  0.16468349
   0.62028981  0.15946254  0.48855260
   0.86937515  0.07762818  0.87461509
   0.60285873  0.43444709  0.61222308
   0.76190994  0.33557968  0.81061987
   0.61611406  0.65347635 -0.00298583
   0.92528431  0.59664409  0.37362449
   0.58419058  0.89387062  0.12992262
   0.84804453  0.84441971  0.25247894
   0.64778241  0.65140081  0.45804912
   0.87394921  0.60831203  0.88653949
   0.61945720  0.90472611  0.61995036
   0.82901030  0.83249531  0.74741437
   0.09663201  0.07285765  0.15339051
   0.35357968  0.19032709  0.27370178
   0.13392190  0.32303100  0.00664118
   0.33518882  0.44385281  0.34278028
   0.54795334  0.34679052  0.21669783
   0.31163804  0.38846761  0.14931233
   0.21810999  0.13623218  0.44018572
  -0.02348668  0.20628632  0.40518062
   0.02411444  0.04524089  0.55499705
   0.45933578  0.22820020  0.77370004
   0.08423422  0.31509346  0.55445657
   0.37923153  0.46255731  0.84766171
   0.45622037  0.43983067  0.65947063
   0.22067426  0.37096313  0.72290143
   0.23993213  0.19061662 -0.14032506
  -0.00050934  0.12920052  0.92376568
   0.11955777  0.56459385  0.08402910
   0.40969178  0.69168850  0.28316260
   0.11310537  0.83526457  0.03799358
   0.35891072  0.93754982  0.33880474
   0.42164675  0.90003898  0.15600476
   0.17539920  0.81524581  0.22080024
   0.34471517  0.65311648  0.46606367
   0.07096856  0.58741228  0.42711282
   0.17661844  0.54805385  0.59122846
   0.31901541  0.71091525  0.77846321
   0.11585566  0.79565578  0.51490629
   0.38316927  0.97777162  0.80065735
   0.45886829  0.87966118  0.63635394
   0.19235340  0.91414208  0.67485422
   0.26594507  0.67932236 -0.05002493
   0.03294724  0.65346334  0.90642524
   0.62451387  0.05220567  0.11364884
   0.83282396  0.19922255  0.24778655
   0.63182507  0.29812100  0.03337873
   0.87787487  0.44812465  0.33578005
   0.03763648  0.35657632  0.17738689
   0.77298839  0.43171200  0.15746840
   0.71914724  0.14525443  0.40008704
   0.46013797  0.14163281  0.44397744
   0.64517647  0.05404090  0.57510723
   0.85650863  0.20244641  0.78676729
   0.61770042  0.31836301  0.53159649
   0.85528999  0.44473862  0.86329102
   0.97324711  0.47463224  0.69120718
   0.71498507  0.39716747  0.69994324
   0.74935242  0.07997182  0.95164547
   0.47955790  0.13095974  0.95228300
   0.54880702  0.55336300  0.08492306
   0.90853644  0.69217009  0.27973116
   0.61406976  0.81088396  0.03018346
   0.89528457  0.96107806  0.34090122
   0.91357631  0.88679915  0.15058959
   0.68212620  0.82862486  0.21751757
   0.81563028  0.65936435  0.44580841
   0.57654656  0.55078609  0.38289923
   0.63015242  0.58374265  0.56462585
   0.81672105  0.68497873  0.79230749
   0.60630351  0.81560087  0.44516376
   0.90263977  0.92502607  0.83816510
   0.92008055  0.85010919  0.65563492
   0.68010011  0.90380407  0.73172414
   0.78071936  0.63743922  0.98212528
   0.52261924  0.65217167  0.90047113
   0.70730527  0.78368734  0.59640128
   0.54672542  0.85388398  0.39072602
   0.87001465  0.20535700  0.08444255
   0.94193548  0.37017205  0.35087090
   0.34011077  0.08766024  0.62500467
   0.32484700  0.68538823  0.70611802
   0.18436019  1.09949078  0.16066790
   0.21910813  1.06588299 -0.00714006
   0.64185031  0.33906834  0.87814653
   0.88343325  0.46977669  0.66629553
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915138    0.268276   -0.024235
    -0.000000    9.819082    0.007286
    -0.000000    0.000000   13.936531
   Si   O    H 
    32    64    10
Direct configuration=  1979
   0.14662540  0.17661688 -0.04792025
   0.34840650  0.10006798  0.36882007
   0.15345076  0.40388024  0.10495566
   0.38759203  0.34914633  0.25067843
   0.07996757  0.17578700  0.49438761
   0.39896848  0.12337315  0.85244358
   0.11279237  0.42022403  0.63917716
   0.37639496  0.37689860  0.74675565
   0.12101299  0.68539389 -0.00635436
   0.41441770  0.58431642  0.37096909
   0.07631005  0.90351634  0.13917420
   0.33143179  0.84187273  0.24498216
   0.18469781  0.64231668  0.49773499
   0.36954124  0.62701471  0.86986914
   0.06537724  0.89867032  0.60236622
   0.34487321  0.97551493  0.68362487
   0.62287563  0.13926429  1.00812757
   0.85662976  0.12247892  0.34402738
   0.61641317  0.40590141  0.11704777
   0.87524680  0.30232407  0.16417724
   0.61923760  0.15930918  0.48846847
   0.86973226  0.07752674  0.87454565
   0.60377061  0.43527943  0.61228387
   0.76100101  0.33546721  0.80950951
   0.61623020  0.65274035 -0.00208875
   0.92463734  0.59725823  0.37369541
   0.58407028  0.89389237  0.12959759
   0.84679867  0.84413933  0.25250213
   0.64864724  0.65121823  0.45793383
   0.87357065  0.60898535  0.88600581
   0.61939689  0.90382998  0.61965987
   0.82890960  0.83303430  0.74901819
   0.09788075  0.07267839  0.15240800
   0.35238174  0.18845581  0.27461005
   0.13426343  0.32304115  0.00694721
   0.33534480  0.44345324  0.34114864
   0.54813609  0.34720060  0.21674459
   0.31099749  0.38784639  0.14820559
   0.21666769  0.13563802  0.44207111
  -0.02456930  0.20587782  0.40473497
   0.02410567  0.04523604  0.55558645
   0.45956540  0.22894506  0.77383893
   0.08594286  0.31489542  0.55433691
   0.37771239  0.46394090  0.84668099
   0.45586538  0.43969170  0.65998518
   0.22168859  0.37075971  0.72146666
   0.24030887  0.19089058 -0.14031017
  -0.00082702  0.12893597  0.92427806
   0.11980041  0.56724084  0.08265257
   0.41002093  0.69232577  0.28334763
   0.11167294  0.83607294  0.03949003
   0.35879181  0.93843011  0.33850643
   0.42234372  0.89928437  0.15627230
   0.17501145  0.81435465  0.22105673
   0.34496676  0.65282910  0.46702143
   0.07230019  0.58644821  0.42649964
   0.17615834  0.54710951  0.59047623
   0.31931652  0.70969725  0.77908499
   0.11537068  0.79555750  0.51445074
   0.38197856  0.97933261  0.79910579
   0.45893558  0.87894556  0.63575371
   0.19156467  0.91595088  0.67458281
   0.26752089  0.68039362 -0.04943266
   0.03496134  0.65431693  0.90699710
   0.62353412  0.05198471  0.11371495
   0.83269370  0.19931565  0.24685523
   0.63125138  0.29787826  0.03375724
   0.87806708  0.44788059  0.33665685
   0.03653694  0.35629924  0.17720367
   0.77289677  0.43232881  0.15689041
   0.71882928  0.14488231  0.40004611
   0.45925623  0.14200788  0.44356557
   0.64660987  0.05367842  0.57597718
   0.85615563  0.20293164  0.78815851
   0.61720923  0.31884209  0.53224990
   0.85644867  0.44392822  0.86421494
   0.97368704  0.47481833  0.69078940
   0.71375113  0.39837246  0.70000176
   0.74887020  0.07900424  0.95081568
   0.47789118  0.13118423  0.95264041
   0.54963053  0.55320003  0.08593395
   0.90768891  0.69249503  0.28143650
   0.61517334  0.81211677  0.03248705
   0.89622709  0.96072967  0.34002434
   0.91279603  0.88639411  0.15110553
   0.68356978  0.82901619  0.21935159
   0.81459289  0.65772536  0.44538394
   0.57585832  0.54921273  0.38373546
   0.62971665  0.58562029  0.56466961
   0.81683288  0.68401699  0.79100066
   0.60676684  0.81503074  0.44526792
   0.90411819  0.92614993  0.83770684
   0.92176710  0.85165175  0.65555207
   0.67930675  0.90315042  0.73071254
   0.78018838  0.63653099  0.98249348
   0.52313580  0.64970266  0.89985344
   0.70902984  0.77827042  0.59399399
   0.54377126  0.84238568  0.38979615
   0.87328647  0.20568138  0.08683889
   0.93987529  0.36363137  0.34928198
   0.34200090  0.09723497  0.63380736
   0.31870831  0.68077677  0.70364788
   0.19131374  1.09831154  0.16223365
   0.21861812  1.05910650 -0.00585394
   0.64637089  0.33881847  0.87126037
   0.88007347  0.47314680  0.66303832
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917903    0.266706   -0.026518
    -0.000000    9.817500    0.008557
    -0.000000    0.000000   13.936913
   Si   O    H 
    32    64    10
Direct configuration=  1980
   0.14769904  0.17513284 -0.04784230
   0.34789206  0.10010441  0.36862058
   0.15239208  0.40490174  0.10581213
   0.38815980  0.34849103  0.25146696
   0.08112829  0.17610134  0.49423834
   0.39753241  0.12341874  0.85232075
   0.11141409  0.41928104  0.63867662
   0.37536453  0.37702773  0.74819500
   0.12031417  0.68466462 -0.00573215
   0.41381363  0.58335853  0.37059995
   0.07493092  0.90295447  0.13896169
   0.33193993  0.84197514  0.24460817
   0.18530494  0.64157715  0.49759799
   0.36855617  0.62668132  0.86909979
   0.06440403  0.89880232  0.60220896
   0.34608327  0.97610392  0.68320038
   0.62254726  0.13794193  1.00931399
   0.85706929  0.12385830  0.34323290
   0.61777635  0.40447957  0.11665783
   0.87472160  0.30239920  0.16357743
   0.61781088  0.15959396  0.48869067
   0.86991000  0.07724199  0.87429850
   0.60453209  0.43627140  0.61300198
   0.76061630  0.33601960  0.80813587
   0.61655221  0.65184041 -0.00145643
   0.92365949  0.59765707  0.37445793
   0.58481556  0.89374855  0.12976739
   0.84576986  0.84395244  0.25242195
   0.64962275  0.65086431  0.45737056
   0.87342197  0.60919750  0.88596383
   0.61945590  0.90308896  0.61937276
   0.82861538  0.83386471  0.75098686
   0.09957237  0.07156186  0.15138505
   0.35114784  0.18614247  0.27524751
   0.13422702  0.32368160  0.00745602
   0.33596332  0.44385816  0.33986931
   0.54832912  0.34783969  0.21649343
   0.31028721  0.38668884  0.14728464
   0.21563787  0.13487677  0.44347889
  -0.02547063  0.20532931  0.40447022
   0.02407067  0.04465694  0.55640521
   0.45956439  0.23063616  0.77400403
   0.08706029  0.31437744  0.55417598
   0.37594359  0.46470118  0.84565164
   0.45584534  0.43955436  0.66052480
   0.22099002  0.36984305  0.71979043
   0.24194413  0.19133939 -0.14024253
  -0.00091212  0.12913914  0.92513965
   0.12023495  0.56991181  0.08130680
   0.41033151  0.69408445  0.28339809
   0.11027798  0.83694920  0.04096897
   0.35903467  0.93812726  0.33819640
   0.42267385  0.89805352  0.15660473
   0.17446393  0.81456684  0.22091119
   0.34534169  0.65243772  0.46777245
   0.07304516  0.58550106  0.42554215
   0.17646017  0.54625828  0.58992456
   0.31898321  0.70844159  0.77890387
   0.11461784  0.79536116  0.51435930
   0.38134709  0.98131623  0.79745196
   0.45872164  0.87770949  0.63534526
   0.19097222  0.91733212  0.67386593
   0.26889867  0.68105927 -0.04895884
   0.03521406  0.65394380  0.90726551
   0.62304441  0.05170683  0.11324669
   0.83313978  0.20011471  0.24609713
   0.63042954  0.29859704  0.03361285
   0.87870929  0.44723264  0.33775703
   0.03492284  0.35534439  0.17646341
   0.77202827  0.43349460  0.15560466
   0.71870188  0.14375454  0.40036867
   0.45972910  0.14295447  0.44337234
   0.64750096  0.05356706  0.57696913
   0.85551486  0.20300775  0.78961673
   0.61701147  0.31931459  0.53258213
   0.85822557  0.44320120  0.86548282
   0.97414523  0.47479163  0.69034453
   0.71260294  0.39846381  0.70001262
   0.74880672  0.07751187  0.95040717
   0.47676484  0.13068704  0.95322322
   0.55003179  0.55289008  0.08679678
   0.90705978  0.69217486  0.28315434
   0.61600885  0.81281611  0.03432127
   0.89702375  0.96062145  0.33832495
   0.91214666  0.88608009  0.15123535
   0.68457819  0.83011520  0.22041558
   0.81345846  0.65655795  0.44572047
   0.57546828  0.54755703  0.38452292
   0.62947325  0.58660749  0.56541131
   0.81745683  0.68285733  0.79004600
   0.60617841  0.81419443  0.44523498
   0.90558282  0.92622709  0.83744855
   0.92357041  0.85280194  0.65557494
   0.67822713  0.90321950  0.73012977
   0.77947796  0.63584771  0.98188145
   0.52388749  0.64752687  0.89883237
   0.70354299  0.77995294  0.59051246
   0.54468854  0.82879557  0.39403964
   0.87894920  0.20685567  0.08456203
   0.93262235  0.36828057  0.34773401
   0.34091236  0.11122187  0.64087030
   0.31366573  0.68248162  0.71050775
   0.19311371  1.09897614  0.16585292
   0.21603896  1.05450472 -0.00204377
   0.64709919  0.33988695  0.86602073
   0.87947646  0.46862713  0.66437195
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921015    0.265172   -0.029139
    -0.000000    9.815601    0.010616
    -0.000000    0.000000   13.937758
   Si   O    H 
    32    64    10
Direct configuration=  1981
   0.14867031  0.17429154 -0.04766348
   0.34702502  0.09982657  0.36894504
   0.15216876  0.40580463  0.10647850
   0.38919468  0.34718818  0.25196745
   0.08202980  0.17633602  0.49422978
   0.39614384  0.12365400  0.85193921
   0.11017736  0.41798551  0.63804512
   0.37435927  0.37689834  0.74975685
   0.12037661  0.68383461 -0.00492719
   0.41335980  0.58243894  0.37053058
   0.07409581  0.90209852  0.13945060
   0.33324594  0.84166885  0.24428351
   0.18597639  0.64106230  0.49738910
   0.36712905  0.62553386  0.86860232
   0.06354303  0.89849085  0.60145896
   0.34699905  0.97665626  0.68297494
   0.62244207  0.13643005  1.01054637
   0.85720062  0.12516221  0.34317842
   0.61894987  0.40343001  0.11677361
   0.87453109  0.30314150  0.16364105
   0.61618959  0.16046666  0.48861621
   0.86990745  0.07699636  0.87412565
   0.60512046  0.43805257  0.61345601
   0.76015187  0.33640599  0.80651963
   0.61649643  0.65123682 -0.00081547
   0.92270948  0.59797135  0.37553347
   0.58525083  0.89352108  0.12988783
   0.84514265  0.84392201  0.25209803
   0.65117577  0.65110011  0.45725821
   0.87344851  0.60849981  0.88626328
   0.61893952  0.90212688  0.61877817
   0.82811329  0.83457734  0.75257458
   0.10086459  0.07014068  0.15077492
   0.34927232  0.18458081  0.27452231
   0.13399973  0.32360142  0.00804436
   0.33782780  0.44407559  0.33919014
   0.54826320  0.34885745  0.21667533
   0.30962169  0.38542121  0.14640538
   0.21597863  0.13342755  0.44473563
  -0.02638934  0.20437434  0.40389668
   0.02380842  0.04399611  0.55659615
   0.45989614  0.23246512  0.77424712
   0.08877988  0.31352640  0.55384461
   0.37415400  0.46564816  0.84440347
   0.45645714  0.43938734  0.66117628
   0.21917433  0.36876937  0.71770846
   0.24357723  0.19207811 -0.14034986
  -0.00136573  0.12974502  0.92650933
   0.12186325  0.57215875  0.07944490
   0.40975845  0.69556885  0.28413914
   0.10900307  0.83704684  0.04170677
   0.35905464  0.93687537  0.33751495
   0.42386449  0.89688480  0.15786035
   0.17368241  0.81520757  0.22025426
   0.34467954  0.65149298  0.46820212
   0.07410795  0.58419978  0.42450031
   0.17658414  0.54701047  0.58940231
   0.31820326  0.70773988  0.77826560
   0.11361645  0.79501358  0.51490048
   0.38058426  0.98202171  0.79656970
   0.45838562  0.87696055  0.63500316
   0.19017645  0.91870306  0.67349249
   0.27025735  0.68259159 -0.04862206
   0.03395237  0.65338461  0.90714190
   0.62296864  0.05188506  0.11266077
   0.83281809  0.20066785  0.24573867
   0.62923509  0.29955330  0.03315280
   0.87920106  0.44579589  0.33891036
   0.03318472  0.35472561  0.17587140
   0.77052369  0.43497902  0.15440072
   0.71827388  0.14266781  0.40103025
   0.46187151  0.14303372  0.44300830
   0.64774727  0.05465419  0.57687302
   0.85464991  0.20257243  0.79089647
   0.61655448  0.31978274  0.53282823
   0.86015957  0.44180445  0.86672148
   0.97511423  0.47615254  0.69002996
   0.71147455  0.39944485  0.69964786
   0.74907462  0.07532714  0.94989136
   0.47609807  0.12965411  0.95379152
   0.55072336  0.55360507  0.08729253
   0.90721465  0.69217607  0.28445646
   0.61582424  0.81323466  0.03600128
   0.89738236  0.96036977  0.33672721
   0.91198605  0.88571092  0.15093416
   0.68552168  0.83218353  0.22105951
   0.81177413  0.65595963  0.44649660
   0.57562292  0.54704411  0.38452128
   0.62991395  0.58781243  0.56619242
   0.81774144  0.68143179  0.78945800
   0.60607785  0.81347443  0.44518596
   0.90689136  0.92580167  0.83690743
   0.92538478  0.85335092  0.65601575
   0.67804687  0.90338544  0.72980316
   0.77829888  0.63482391  0.98141020
   0.52505978  0.64588246  0.89788588
   0.69704220  0.78538064  0.58683474
   0.53983168  0.81714288  0.39405288
   0.88254465  0.20620131  0.08230701
   0.92905617  0.36846730  0.34656723
   0.34186205  0.12319821  0.64700156
   0.30663043  0.68422280  0.72018227
   0.18991389  1.09955606  0.16838552
   0.21683237  1.05415638  0.00095279
   0.64382304  0.33975007  0.86470745
   0.88335477  0.46319342  0.66783561
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923390    0.263966   -0.031163
    -0.000000    9.813740    0.012741
    -0.000000    0.000000   13.938296
   Si   O    H 
    32    64    10
Direct configuration=  1982
   0.14965085  0.17337578 -0.04797817
   0.34577346  0.09919340  0.36996218
   0.15222077  0.40697400  0.10709293
   0.39013918  0.34583789  0.25232742
   0.08268869  0.17622509  0.49428303
   0.39516601  0.12440262  0.85147271
   0.10902441  0.41670310  0.63786660
   0.37301853  0.37664661  0.75104820
   0.12155332  0.68287765 -0.00369684
   0.41260000  0.58249137  0.37061347
   0.07336824  0.90159984  0.14020177
   0.33476187  0.84145564  0.24427396
   0.18603099  0.64071140  0.49750064
   0.36588687  0.62468388  0.86792381
   0.06260398  0.89786027  0.60054931
   0.34793465  0.97760685  0.68309106
   0.62234936  0.13464114  1.01151558
   0.85777463  0.12641645  0.34297042
   0.61984161  0.40272099  0.11675532
   0.87484258  0.30349056  0.16353392
   0.61460435  0.16133458  0.48861977
   0.87004208  0.07701863  0.87392489
   0.60584887  0.43936184  0.61400463
   0.75962070  0.33713779  0.80480457
   0.61631599  0.65055842 -0.00015293
   0.92189088  0.59827416  0.37657474
   0.58537520  0.89322350  0.13064687
   0.84457631  0.84332135  0.25168855
   0.65282082  0.65089785  0.45735332
   0.87376376  0.60704255  0.88648410
   0.61886043  0.90183993  0.61849493
   0.82813259  0.83574352  0.75377455
   0.10158252  0.06910800  0.15009293
   0.34753833  0.18434859  0.27325541
   0.13350612  0.32318118  0.00795371
   0.33934016  0.44412618  0.33893029
   0.54795659  0.35023822  0.21670711
   0.30897753  0.38496394  0.14575413
   0.21698591  0.13112696  0.44516957
  -0.02812999  0.20294187  0.40345872
   0.02393296  0.04350669  0.55627325
   0.46009495  0.23451014  0.77481263
   0.09083336  0.31265913  0.55271781
   0.37192868  0.46551660  0.84365481
   0.45675691  0.43973445  0.66099443
   0.21772570  0.36769812  0.71572895
   0.24562020  0.19277444 -0.14049246
  -0.00180889  0.13016355  0.92811185
   0.12357265  0.57321364  0.07828197
   0.40891829  0.69740842  0.28516720
   0.10714841  0.83688180  0.04183641
   0.35931717  0.93615013  0.33734520
   0.42507331  0.89562842  0.15940102
   0.17251720  0.81688499  0.21949060
   0.34456246  0.65027679  0.46868435
   0.07490716  0.58258134  0.42350324
   0.17624437  0.54720411  0.58894001
   0.31723282  0.70722861  0.77776441
   0.11252805  0.79398683  0.51550962
   0.38032995  0.98314842  0.79702226
   0.45844150  0.87698912  0.63484066
   0.18944002  0.91940538  0.67312330
   0.27102559  0.68419426 -0.04807634
   0.03182135  0.65278116  0.90670440
   0.62301937  0.05245826  0.11231722
   0.83254180  0.20081639  0.24638488
   0.62759503  0.30051400  0.03239188
   0.87918445  0.44510007  0.33960983
   0.03159569  0.35449768  0.17535442
   0.76910680  0.43682548  0.15362209
   0.71764303  0.14183936  0.40200704
   0.46404154  0.14289983  0.44307974
   0.64741008  0.05660734  0.57624955
   0.85424217  0.20132935  0.79176913
   0.61560799  0.32031433  0.53337767
   0.86172289  0.44112307  0.86741807
   0.97558993  0.47717939  0.69010338
   0.71038585  0.40019393  0.69896491
   0.74879440  0.07347336  0.94942076
   0.47588788  0.12864438  0.95481010
   0.55224256  0.55411927  0.08691580
   0.90773098  0.69281149  0.28564692
   0.61563018  0.81303561  0.03726156
   0.89740167  0.96008128  0.33468364
   0.91130532  0.88633192  0.15050529
   0.68582129  0.83431898  0.22203407
   0.81027999  0.65567283  0.44780945
   0.57548338  0.54717646  0.38518448
   0.63093833  0.58938167  0.56708569
   0.81823302  0.68041333  0.78924310
   0.60538817  0.81293777  0.44540448
   0.90779883  0.92451145  0.83627230
   0.92742018  0.85354699  0.65679557
   0.67771152  0.90249348  0.73043264
   0.77807996  0.63370972  0.98145451
   0.52692194  0.64449530  0.89745274
   0.69215095  0.78976611  0.57990670
   0.53343300  0.80978483  0.39196132
   0.88682497  0.20531293  0.07740422
   0.93627408  0.35434037  0.34929239
   0.34152333  0.12325225  0.65388930
   0.29341811  0.67851858  0.71085533
   0.18693892  1.09552950  0.17450654
   0.21690952  1.05883092  0.00201555
   0.63519433  0.33540575  0.86464462
   0.88812231  0.46056033  0.67070584
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925507    0.262741   -0.033279
    -0.000000    9.812234    0.015379
    -0.000000    0.000000   13.938826
   Si   O    H 
    32    64    10
Direct configuration=  1983
   0.15045105  0.17258491 -0.04820336
   0.34472029  0.09847736  0.37076953
   0.15218369  0.40777876  0.10736160
   0.39001129  0.34455153  0.25316913
   0.08305037  0.17610489  0.49445569
   0.39372906  0.12531723  0.85110662
   0.10777887  0.41549418  0.63786178
   0.37193939  0.37593538  0.75171941
   0.12268270  0.68234457 -0.00264198
   0.41190281  0.58258597  0.37078450
   0.07325090  0.90118354  0.14062250
   0.33554650  0.84088907  0.24455060
   0.18577866  0.64125813  0.49728306
   0.36537492  0.62385346  0.86755728
   0.06173253  0.89766235  0.60027323
   0.34819970  0.97860378  0.68346823
   0.62198506  0.13303915  1.01221202
   0.85813596  0.12717910  0.34314477
   0.61998971  0.40289068  0.11714603
   0.87569855  0.30362640  0.16322238
   0.61280368  0.16227183  0.48858689
   0.87041569  0.07723007  0.87379039
   0.60643550  0.44022346  0.61482449
   0.75947670  0.33809071  0.80337796
   0.61623439  0.65067554  0.00023663
   0.92096080  0.59894905  0.37773032
   0.58558552  0.89268807  0.13168270
   0.84366344  0.84260218  0.25150706
   0.65457839  0.65083081  0.45755799
   0.87416570  0.60593584  0.88670090
   0.61903111  0.90131176  0.61812238
   0.82891155  0.83739531  0.75555010
   0.10207168  0.06646224  0.14926293
   0.34579314  0.18406789  0.27204427
   0.13312167  0.32253619  0.00790124
   0.34073110  0.44395250  0.33896937
   0.54690131  0.35105425  0.21626462
   0.30813050  0.38468159  0.14610328
   0.21937457  0.12951040  0.44533102
  -0.02901869  0.20158596  0.40265402
   0.02316367  0.04340564  0.55581887
   0.45994948  0.23697009  0.77574940
   0.09233878  0.31155209  0.55109622
   0.37000081  0.46587034  0.84325794
   0.45671755  0.44017498  0.66100602
   0.21625416  0.36710855  0.71378788
   0.24772514  0.19349034 -0.14060476
  -0.00217929  0.13051490  0.92960017
   0.12545089  0.57360214  0.07698337
   0.40817087  0.69909861  0.28564521
   0.10484096  0.83751623  0.04108151
   0.35990517  0.93529875  0.33770399
   0.42572877  0.89583938  0.16038234
   0.17206200  0.81891677  0.21860888
   0.34428195  0.64957301  0.46857068
   0.07537128  0.58143681  0.42210114
   0.17602845  0.54797715  0.58898345
   0.31637104  0.70742487  0.77711977
   0.11214320  0.79315568  0.51602324
   0.38014000  0.98434692  0.79775177
   0.45859623  0.87748878  0.63425857
   0.18921370  0.92007916  0.67257104
   0.27147873  0.68460694 -0.04777998
   0.02860295  0.65230394  0.90542992
   0.62205610  0.05271006  0.11257495
   0.83212977  0.20210201  0.24685720
   0.62555793  0.30048512  0.03143458
   0.87983440  0.44425940  0.34021690
   0.03000473  0.35482776  0.17464651
   0.76832358  0.43720541  0.15240490
   0.71684196  0.14055591  0.40301856
   0.46672527  0.14231301  0.44322682
   0.64668093  0.05846052  0.57558393
   0.85365410  0.19945684  0.79234211
   0.61524936  0.32080532  0.53329049
   0.86326594  0.44100740  0.86822716
   0.97576184  0.47779405  0.69076280
   0.71048120  0.40119150  0.69869060
   0.74806757  0.07179233  0.94840248
   0.47506652  0.12715614  0.95510651
   0.55409302  0.55477124  0.08657876
   0.90810010  0.69416912  0.28638666
   0.61508580  0.81191839  0.03795220
   0.89688019  0.95961852  0.33289573
   0.91081152  0.88650969  0.15051961
   0.68572610  0.83627327  0.22322878
   0.80949014  0.65531024  0.44930327
   0.57588439  0.54744852  0.38641417
   0.63146420  0.59070998  0.56817111
   0.81881042  0.67961069  0.78895529
   0.60367887  0.81197236  0.44518035
   0.90839530  0.92277909  0.83592241
   0.92829584  0.85371786  0.65733416
   0.67711875  0.90182302  0.73162677
   0.77799157  0.63297135  0.98151090
   0.52858226  0.64313616  0.89750247
   0.68983762  0.79407916  0.57414621
   0.53808013  0.80444868  0.39449325
   0.88767125  0.20500400  0.07348604
   0.93605781  0.35038203  0.35329137
   0.34212373  0.11734489  0.65820171
   0.28173361  0.67677043  0.70645286
   0.18621810  1.09203265  0.18186846
   0.21627841  1.06201672  0.00146084
   0.63115139  0.32931683  0.86192980
   0.88150100  0.45971892  0.67077881
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927768    0.261396   -0.035773
    -0.000000    9.810964    0.018013
    -0.000000    0.000000   13.939562
   Si   O    H 
    32    64    10
Direct configuration=  1984
   0.15087279  0.17206805 -0.04833230
   0.34397927  0.09755281  0.37178356
   0.15220542  0.40889051  0.10751533
   0.38940510  0.34319443  0.25343043
   0.08274769  0.17539210  0.49466080
   0.39293939  0.12662275  0.85035937
   0.10682672  0.41493824  0.63796920
   0.37060667  0.37486901  0.75228015
   0.12360860  0.68201594 -0.00192147
   0.41185333  0.58260155  0.37139483
   0.07317229  0.90076729  0.14110699
   0.33615814  0.84035034  0.24475790
   0.18507077  0.64248040  0.49708623
   0.36488163  0.62380556  0.86711655
   0.06032098  0.89724061  0.60045057
   0.34816467  0.97949382  0.68352610
   0.62159257  0.13177752  1.01256713
   0.85824928  0.12796474  0.34308390
   0.61980408  0.40374360  0.11753114
   0.87678517  0.30359320  0.16257063
   0.61157242  0.16274572  0.48864104
   0.87027322  0.07736071  0.87348410
   0.60661041  0.44041534  0.61585551
   0.75979247  0.33918742  0.80236599
   0.61589620  0.65107725  0.00067863
   0.92021645  0.59912450  0.37857044
   0.58579964  0.89247525  0.13313111
   0.84254471  0.84153725  0.25135149
   0.65545868  0.65033751  0.45814708
   0.87444525  0.60470287  0.88685104
   0.61924168  0.90153888  0.61794967
   0.82998841  0.83826855  0.75693143
   0.10193431  0.06333995  0.14882871
   0.34389818  0.18405404  0.27117983
   0.13284897  0.32219061  0.00791203
   0.34230481  0.44375564  0.33918067
   0.54545276  0.35101925  0.21553178
   0.30637281  0.38390095  0.14697577
   0.22208476  0.12826899  0.44564544
  -0.02941807  0.20052108  0.40197296
   0.02218971  0.04429319  0.55531385
   0.45950315  0.23915580  0.77658694
   0.09442624  0.30987128  0.54938156
   0.36746989  0.46580541  0.84258757
   0.45666677  0.44138353  0.66105912
   0.21586769  0.36669472  0.71213766
   0.24923468  0.19513454 -0.14085087
  -0.00223692  0.13055008  0.93117747
   0.12755145  0.57397514  0.07655508
   0.40846033  0.70011792  0.28621018
   0.10272311  0.83778834  0.03989813
   0.36017437  0.93513122  0.33846721
   0.42662074  0.89606144  0.16123463
   0.17163700  0.82122690  0.21849415
   0.34388534  0.64834959  0.46812421
   0.07513762  0.58011027  0.42059653
   0.17668318  0.54819132  0.58856622
   0.31544847  0.70762862  0.77575497
   0.11171030  0.79258626  0.51714722
   0.38000933  0.98611944  0.79864191
   0.45846555  0.87767856  0.63292285
   0.18910831  0.92059182  0.67199196
   0.27135487  0.68520072 -0.04766842
   0.02564765  0.65296891  0.90399825
   0.62192070  0.05324898  0.11232626
   0.83175995  0.20370901  0.24666056
   0.62319312  0.30120142  0.03086608
   0.88091567  0.44312597  0.34025251
   0.02831941  0.35630483  0.17460002
   0.76931129  0.43746795  0.15123498
   0.71668914  0.13964933  0.40392167
   0.46802903  0.14215045  0.44313432
   0.64628384  0.05936333  0.57517297
   0.85207004  0.19828479  0.79280493
   0.61564022  0.32055996  0.53265089
   0.86435179  0.44064485  0.86913409
   0.97549577  0.47729516  0.69154883
   0.71122644  0.40171409  0.69890260
   0.74681723  0.06917869  0.94737331
   0.47411003  0.12566363  0.95474615
   0.55611867  0.55509930  0.08567961
   0.90842326  0.69525726  0.28672811
   0.61458969  0.81046537  0.03810390
   0.89563110  0.95983331  0.33177844
   0.90993190  0.88706172  0.15112915
   0.68544474  0.83826047  0.22420342
   0.80974424  0.65407355  0.45076663
   0.57618103  0.54806146  0.38808030
   0.63128587  0.59174185  0.56913076
   0.81864534  0.67898751  0.78856801
   0.60219118  0.81139827  0.44508729
   0.90959514  0.92185285  0.83545831
   0.92898537  0.85269761  0.65830429
   0.67696509  0.90068695  0.73261592
   0.77754844  0.63146786  0.98102693
   0.52921794  0.64199312  0.89744306
   0.69226087  0.80207735  0.56995326
   0.54047668  0.80312637  0.39549514
   0.88403677  0.21025353  0.07632046
   0.93199472  0.35551725  0.35979219
   0.34290316  0.11955580  0.65884676
   0.27697514  0.67538710  0.71274392
   0.18175734  1.08972423  0.18607346
   0.21795163  1.06219492  0.00215604
   0.62884937  0.32158497  0.85824792
   0.87652590  0.46185329  0.67261328
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929878    0.260348   -0.037977
    -0.000000    9.809967    0.020874
    -0.000000    0.000000   13.940349
   Si   O    H 
    32    64    10
Direct configuration=  1985
   0.15143586  0.17175912 -0.04781275
   0.34340211  0.09670063  0.37269842
   0.15188874  0.41012013  0.10781572
   0.38890204  0.34170058  0.25341692
   0.08182177  0.17382163  0.49473178
   0.39237414  0.12865993  0.84967608
   0.10630759  0.41430794  0.63796744
   0.36885066  0.37354731  0.75216776
   0.12476885  0.68198272 -0.00093936
   0.41217387  0.58307744  0.37188143
   0.07261228  0.90041394  0.14198878
   0.33594838  0.83961272  0.24534434
   0.18368898  0.64400944  0.49707548
   0.36544773  0.62381309  0.86631176
   0.05923488  0.89720711  0.60111893
   0.34784663  0.98085612  0.68347737
   0.62176867  0.13094079  1.01272064
   0.85773260  0.12808069  0.34351070
   0.61991860  0.40517458  0.11805678
   0.87760293  0.30359470  0.16160854
   0.61034016  0.16386775  0.48905654
   0.87008092  0.07744368  0.87317761
   0.60676454  0.44093616  0.61687892
   0.75989606  0.33995640  0.80170394
   0.61546529  0.65073449  0.00056660
   0.91931165  0.59839938  0.37916824
   0.58610252  0.89236334  0.13477745
   0.84161980  0.84074720  0.25166660
   0.65580737  0.64980586  0.45856948
   0.87377063  0.60270955  0.88676449
   0.61959531  0.90204946  0.61790818
   0.83072191  0.83893795  0.75792659
   0.10239612  0.06093576  0.14854805
   0.34265291  0.18420630  0.27006893
   0.13314868  0.32196878  0.00765919
   0.34302304  0.44355519  0.33934526
   0.54475536  0.35040881  0.21522381
   0.30514013  0.38226281  0.14828518
   0.22412819  0.12764488  0.44611701
  -0.03030296  0.20003621  0.40171585
   0.02107128  0.04574073  0.55497943
   0.45880561  0.24085579  0.77738168
   0.09661719  0.30924071  0.54807526
   0.36498588  0.46556610  0.84224574
   0.45665499  0.44226805  0.66148249
   0.21525989  0.36622269  0.71085553
   0.24992580  0.19752615 -0.14079486
  -0.00276650  0.12993458  0.93233287
   0.12911388  0.57286645  0.07604291
   0.40771198  0.69968041  0.28724054
   0.10034860  0.83816678  0.03899384
   0.36045544  0.93551283  0.33924554
   0.42738608  0.89608722  0.16195309
   0.17145184  0.82327464  0.21863640
   0.34347604  0.64693201  0.46796548
   0.07547283  0.57927642  0.41943165
   0.17663552  0.54835792  0.58836132
   0.31384244  0.70791366  0.77411064
   0.11170047  0.79213989  0.51853183
   0.38000186  0.98738484  0.79920302
   0.45825470  0.87743754  0.63193012
   0.18934482  0.92105783  0.67171379
   0.27072142  0.68533171 -0.04804627
   0.02306544  0.65389376  0.90323012
   0.62232888  0.05310646  0.11204881
   0.83167087  0.20549214  0.24640575
   0.62062115  0.30133744  0.03066524
   0.88187152  0.44209990  0.34124041
   0.02713283  0.35775816  0.17450936
   0.77030228  0.43667456  0.15031294
   0.71698726  0.13966603  0.40462113
   0.46857032  0.14236395  0.44302523
   0.64584455  0.06033846  0.57518013
   0.85010925  0.19754285  0.79310750
   0.61655260  0.31956652  0.53164026
   0.86471795  0.44013190  0.86989321
   0.97559142  0.47726749  0.69196881
   0.71072416  0.40272917  0.69834145
   0.74540587  0.06702771  0.94711306
   0.47405389  0.12374099  0.95447720
   0.55827468  0.55401139  0.08502696
   0.90767428  0.69653573  0.28671402
   0.61472394  0.80858991  0.03798783
   0.89450731  0.96003285  0.33074417
   0.90961242  0.88705364  0.15225650
   0.68518570  0.83963297  0.22525121
   0.81037347  0.65314948  0.45220517
   0.57642225  0.54947172  0.39021063
   0.63053966  0.59314259  0.56973770
   0.81809006  0.67883025  0.78793445
   0.60095561  0.80986749  0.44528359
   0.91090859  0.92180591  0.83551455
   0.92926114  0.85138944  0.65958832
   0.67755734  0.89883750  0.73307379
   0.77723479  0.63064339  0.98046921
   0.52962086  0.64000483  0.89730355
   0.69652153  0.80425813  0.56621925
   0.53231787  0.80840470  0.38907326
   0.87917593  0.21817747  0.07863627
   0.92521703  0.36711367  0.36657711
   0.33958972  0.12257055  0.65673036
   0.27376030  0.67547073  0.72349598
   0.17668495  1.08904799  0.18885966
   0.22309176  1.05516924  0.00290307
   0.63121604  0.31571250  0.85084805
   0.88331056  0.46640164  0.67697569
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931888    0.259401   -0.040485
    -0.000000    9.809067    0.023041
    -0.000000    0.000000   13.941057
   Si   O    H 
    32    64    10
Direct configuration=  1986
   0.15208842  0.17157681 -0.04718237
   0.34263865  0.09647233  0.37353530
   0.15158789  0.41147138  0.10794304
   0.38828897  0.34072707  0.25296956
   0.08072231  0.17186714  0.49431524
   0.39211156  0.13103288  0.84902464
   0.10606039  0.41418877  0.63806879
   0.36685858  0.37208916  0.75185269
   0.12537213  0.68183671 -0.00027827
   0.41211485  0.58350300  0.37207316
   0.07187592  0.90021389  0.14306391
   0.33490220  0.83909583  0.24600270
   0.18188906  0.64608984  0.49716114
   0.36622268  0.62477088  0.86574214
   0.05837087  0.89704537  0.60197627
   0.34739731  0.98176984  0.68340233
   0.62158918  0.13073398  1.01264098
   0.85570818  0.12780325  0.34392748
   0.61954940  0.40690921  0.11843768
   0.87813206  0.30362512  0.16044762
   0.60942247  0.16444247  0.48970700
   0.87002671  0.07727127  0.87306191
   0.60691524  0.44105906  0.61750594
   0.76025257  0.34082435  0.80161430
   0.61529845  0.65064079  0.00002030
   0.91905086  0.59725654  0.37915005
   0.58684064  0.89182077  0.13656651
   0.84139116  0.84062795  0.25197178
   0.65613453  0.64905727  0.45959063
   0.87264968  0.60107308  0.88666648
   0.61978920  0.90306098  0.61817075
   0.83155424  0.83929294  0.75876528
   0.10182960  0.05851217  0.14804975
   0.34223251  0.18412669  0.26913414
   0.13310610  0.32120967  0.00805880
   0.34342083  0.44330330  0.33949681
   0.54427890  0.35032219  0.21505923
   0.30363551  0.38096623  0.15039394
   0.22590910  0.12552720  0.44640666
  -0.03057141  0.20019208  0.40130539
   0.02110105  0.04745606  0.55439921
   0.45880908  0.24286190  0.77798028
   0.09904515  0.30887934  0.54683168
   0.36239246  0.46560644  0.84267659
   0.45643789  0.44415032  0.66267846
   0.21597663  0.36460867  0.70973803
   0.25001310  0.20026032 -0.14095887
  -0.00354752  0.12929073  0.93328165
   0.13073672  0.57098335  0.07600694
   0.40700037  0.69914036  0.28848006
   0.09898598  0.83799198  0.03750632
   0.36091396  0.93685030  0.34021173
   0.42830995  0.89627658  0.16159760
   0.17205190  0.82515408  0.21918465
   0.34238147  0.64633787  0.46806050
   0.07551530  0.57780085  0.41834415
   0.17691555  0.54781250  0.58795822
   0.31426873  0.70844532  0.77286726
   0.11101011  0.79211150  0.51964877
   0.38015518  0.98793623  0.79936909
   0.45807334  0.87778515  0.63087301
   0.19002282  0.92195413  0.67120062
   0.27043267  0.68529901 -0.04896497
   0.01992582  0.65554708  0.90271258
   0.62232644  0.05265070  0.11175842
   0.83133762  0.20712368  0.24616231
   0.61807607  0.30067738  0.03062345
   0.88184887  0.44172872  0.34218057
   0.02650584  0.35968725  0.17501394
   0.77222977  0.43474814  0.14961494
   0.71673449  0.13967837  0.40546177
   0.46898243  0.14122519  0.44289346
   0.64526252  0.06045523  0.57560873
   0.84850304  0.19644025  0.79270946
   0.61739344  0.31875972  0.53119633
   0.86445444  0.43859949  0.87014913
   0.97643737  0.47667406  0.69212252
   0.71064827  0.40450508  0.69779882
   0.74355438  0.06568049  0.94658928
   0.47397512  0.12175033  0.95428092
   0.55947403  0.55404031  0.08452452
   0.90671810  0.69688523  0.28613264
   0.61542533  0.80693423  0.03792307
   0.89318099  0.96085430  0.32978802
   0.90933228  0.88702838  0.15280183
   0.68482103  0.84130793  0.22576683
   0.81131669  0.65244977  0.45334558
   0.57656767  0.55030196  0.39208202
   0.62952880  0.59459182  0.57037558
   0.81682124  0.67996543  0.78742562
   0.59967871  0.80846999  0.44496325
   0.91159943  0.92254470  0.83559987
   0.92931566  0.85064679  0.66122807
   0.67829182  0.89736386  0.73358783
   0.77714656  0.62992851  0.97970735
   0.52936343  0.63816922  0.89787859
   0.70388552  0.80548815  0.56175841
   0.53346692  0.81804324  0.38568155
   0.87337916  0.22293615  0.07925503
   0.92213178  0.36624902  0.37908761
   0.33920463  0.12887494  0.65020831
   0.26050708  0.67103670  0.72089093
   0.17627887  1.08884126  0.19174740
   0.22750096  1.04981755  0.00055622
   0.63353833  0.31086297  0.84258952
   0.88517569  0.47334645  0.68177804
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934070    0.258099   -0.043351
    -0.000000    9.808155    0.025078
    -0.000000    0.000000   13.941509
   Si   O    H 
    32    64    10
Direct configuration=  1987
   0.15255929  0.17139279 -0.04639220
   0.34187758  0.09582010  0.37454313
   0.15157227  0.41259052  0.10790109
   0.38735547  0.33983429  0.25212885
   0.07995844  0.17035194  0.49380147
   0.39340973  0.13343772  0.84876315
   0.10595548  0.41386254  0.63792919
   0.36463071  0.37118697  0.75094561
   0.12519933  0.68226286  0.00023296
   0.41209651  0.58399596  0.37213973
   0.07103432  0.89927529  0.14381569
   0.33373811  0.83856388  0.24640113
   0.17976158  0.64729031  0.49770874
   0.36737641  0.62559757  0.86572953
   0.05760391  0.89704041  0.60259122
   0.34641344  0.98236291  0.68338175
   0.62218833  0.13046539  1.01276682
   0.85373381  0.12688094  0.34481574
   0.61935472  0.40872365  0.11850246
   0.87848415  0.30400974  0.15991583
   0.60907151  0.16451089  0.48993265
   0.87023765  0.07751935  0.87293362
   0.60615432  0.44083625  0.61779263
   0.76102851  0.34176441  0.80188216
   0.61530047  0.65089303 -0.00044856
   0.91953392  0.59595943  0.37877800
   0.58830255  0.89140909  0.13792428
   0.84149097  0.84031751  0.25274390
   0.65633911  0.64857924  0.46082875
   0.87108823  0.59988439  0.88665906
   0.61980433  0.90425146  0.61863753
   0.83175374  0.83977561  0.75954117
   0.10148494  0.05628521  0.14789980
   0.34206535  0.18351345  0.26909452
   0.13286873  0.32085615  0.00851226
   0.34407083  0.44341669  0.33947054
   0.54320163  0.35008197  0.21570697
   0.30179825  0.38025915  0.15273335
   0.22657702  0.12414896  0.44657716
  -0.02971099  0.20125252  0.40111707
   0.02224998  0.04875176  0.55353267
   0.46000429  0.24407724  0.77879967
   0.10101461  0.30871515  0.54550563
   0.35981622  0.46591913  0.84345916
   0.45556190  0.44610286  0.66354544
   0.21682286  0.36277648  0.70869180
   0.24997785  0.20170998 -0.14094297
  -0.00474008  0.12875435  0.93411716
   0.13209604  0.56876638  0.07661874
   0.40668944  0.69881995  0.28901004
   0.09905896  0.83735957  0.03606372
   0.36105878  0.93799351  0.34086567
   0.42874116  0.89724993  0.16070261
   0.17398919  0.82652238  0.21967083
   0.34141295  0.64586476  0.46747124
   0.07649551  0.57647261  0.41765657
   0.17684148  0.54743199  0.58764279
   0.31453023  0.70836926  0.77215558
   0.10997368  0.79194434  0.52038247
   0.38010682  0.98767166  0.79951612
   0.45757719  0.87856079  0.62929562
   0.19050880  0.92322260  0.67098344
   0.27088912  0.68504078 -0.05008094
   0.01705757  0.65800735  0.90254181
   0.62264021  0.05231542  0.11179203
   0.83084579  0.20780903  0.24583251
   0.61647236  0.29980315  0.03049140
   0.88113443  0.44208566  0.34303334
   0.02622009  0.36175636  0.17538621
   0.77376593  0.43328973  0.14942799
   0.71622459  0.13883962  0.40616060
   0.46914297  0.13946670  0.44244678
   0.64484439  0.06063099  0.57580604
   0.84769598  0.19550679  0.79290059
   0.61777303  0.31902222  0.53050963
   0.86391996  0.43739280  0.87020252
   0.97826995  0.47635675  0.69198272
   0.71084226  0.40601870  0.69803097
   0.74230679  0.06459523  0.94613782
   0.47370298  0.12006017  0.95400828
   0.56045928  0.55411578  0.08428454
   0.90524726  0.69705020  0.28588948
   0.61632976  0.80681442  0.03805664
   0.89197813  0.96257225  0.32924015
   0.90929012  0.88711625  0.15307648
   0.68475831  0.84259284  0.22571601
   0.81245410  0.65193858  0.45497736
   0.57665323  0.55115272  0.39328609
   0.62926242  0.59652458  0.57116813
   0.81545025  0.68122594  0.78668255
   0.59858328  0.80784574  0.44498328
   0.91195777  0.92387742  0.83582770
   0.92956857  0.84987605  0.66311408
   0.67979254  0.89669067  0.73362222
   0.77726404  0.63061245  0.97906602
   0.52879022  0.63760114  0.89905575
   0.71324981  0.80684534  0.55989520
   0.54295650  0.82372123  0.38933567
   0.87122517  0.22584820  0.07544906
   0.92057995  0.36109672  0.39299372
   0.33826820  0.13205639  0.64427007
   0.25053975  0.66982656  0.71921848
   0.17303697  1.08587341  0.19142297
   0.23335413  1.05004211 -0.00080808
   0.63499117  0.30692495  0.83699752
   0.87434745  0.47616430  0.68380353
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935596    0.256691   -0.046269
    -0.000000    9.807211    0.026953
    -0.000000    0.000000   13.941773
   Si   O    H 
    32    64    10
Direct configuration=  1988
   0.15255722  0.17135775 -0.04557856
   0.34172184  0.09509610  0.37514258
   0.15076171  0.41334338  0.10711199
   0.38677427  0.33875012  0.25153489
   0.07937136  0.16952873  0.49323240
   0.39527387  0.13543270  0.84849725
   0.10591581  0.41440175  0.63795128
   0.36190388  0.37141185  0.74992303
   0.12511688  0.68245282 -0.00015565
   0.41316835  0.58490534  0.37234816
   0.07038691  0.89842551  0.14399159
   0.33343481  0.83809863  0.24637698
   0.17795640  0.64850889  0.49810638
   0.36842317  0.62617664  0.86586029
   0.05732111  0.89678492  0.60326105
   0.34490096  0.98337364  0.68328764
   0.62207077  0.13063160  1.01276867
   0.85145836  0.12610609  0.34537555
   0.61915248  0.41027461  0.11842504
   0.87913018  0.30419097  0.15946656
   0.60889906  0.16503602  0.48982951
   0.87062401  0.07784312  0.87274733
   0.60502602  0.44025519  0.61754508
   0.76176710  0.34221057  0.80197633
   0.61560471  0.65139866 -0.00136567
   0.92052791  0.59391654  0.37816706
   0.58923890  0.89164851  0.13923361
   0.84172445  0.84001234  0.25342651
   0.65603987  0.64797303  0.46224018
   0.87009154  0.59903842  0.88660424
   0.61948212  0.90514835  0.61906444
   0.83188451  0.83995312  0.75947950
   0.10145689  0.05497658  0.14756752
   0.34190662  0.18354207  0.26920344
   0.13345118  0.32001908  0.00891841
   0.34432544  0.44334589  0.33931472
   0.54190704  0.35012684  0.21598439
   0.29948794  0.37944125  0.15518491
   0.22667590  0.12309070  0.44616491
  -0.02886480  0.20218151  0.40119644
   0.02283094  0.04990787  0.55260956
   0.46149689  0.24488264  0.77937314
   0.10212056  0.30899764  0.54431568
   0.35731641  0.46612160  0.84432655
   0.45537721  0.44776903  0.66476971
   0.21662615  0.36024073  0.70754413
   0.24955683  0.20313798 -0.14087772
  -0.00459724  0.12904666  0.93519373
   0.13363311  0.56587275  0.07692993
   0.40704358  0.69880101  0.29013523
   0.09899987  0.83670443  0.03482679
   0.36165368  0.93938646  0.34140379
   0.42905578  0.89759186  0.15966869
   0.17536490  0.82853227  0.21966090
   0.34065581  0.64624651  0.46672428
   0.07765888  0.57586968  0.41710434
   0.17698548  0.54741619  0.58733048
   0.31496272  0.70827364  0.77086371
   0.10843693  0.79236683  0.52116043
   0.38019763  0.98752585  0.79923371
   0.45757016  0.87888680  0.62756329
   0.19086069  0.92505279  0.67061611
   0.27131964  0.68467253 -0.05089683
   0.01545255  0.66052507  0.90290857
   0.62229095  0.05181470  0.11198136
   0.83057154  0.20754575  0.24560358
   0.61465504  0.29795812  0.02976342
   0.88106702  0.44169109  0.34404970
   0.02656833  0.36395302  0.17593607
   0.77489733  0.43172179  0.14920718
   0.71649606  0.13771697  0.40710513
   0.46888173  0.13764780  0.44104660
   0.64491316  0.06060838  0.57636731
   0.84661864  0.19427023  0.79298668
   0.61870529  0.31944273  0.53038511
   0.86298443  0.43611257  0.87012869
   0.97928185  0.47610986  0.69152619
   0.71220958  0.40771511  0.69841239
   0.74136117  0.06356362  0.94511614
   0.47394818  0.11862681  0.95357239
   0.56118963  0.55438451  0.08400625
   0.90434203  0.69697513  0.28609009
   0.61669567  0.80659886  0.03892139
   0.89073419  0.96459106  0.32824444
   0.90969275  0.88734363  0.15283871
   0.68396464  0.84414471  0.22561632
   0.81358807  0.65217854  0.45653731
   0.57516980  0.55202244  0.39408043
   0.62837720  0.59765480  0.57162585
   0.81463131  0.68220139  0.78701836
   0.59825470  0.80666501  0.44493457
   0.91238334  0.92603493  0.83629721
   0.92961371  0.84915961  0.66468351
   0.68161152  0.89570573  0.73353569
   0.77814363  0.63163572  0.97858664
   0.52770146  0.63696997  0.89966106
   0.72147781  0.81309417  0.56395129
   0.54938254  0.82834679  0.39084851
   0.86868042  0.22724751  0.06836749
   0.91691369  0.36593689  0.39933757
   0.33608375  0.12771627  0.63928074
   0.24834592  0.67234341  0.72374690
   0.17050083  1.08223832  0.19061927
   0.23652376  1.05682507 -0.00368202
   0.63286214  0.30405532  0.83458501
   0.87283722  0.47875068  0.68603249
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936458    0.255292   -0.049741
    -0.000000    9.806796    0.029434
    -0.000000    0.000000   13.941917
   Si   O    H 
    32    64    10
Direct configuration=  1989
   0.15278983  0.17172307 -0.04486765
   0.34244414  0.09431229  0.37570598
   0.14947939  0.41368949  0.10617311
   0.38644755  0.33779360  0.25075286
   0.07944411  0.16910895  0.49235730
   0.39753964  0.13688608  0.84857644
   0.10605137  0.41453613  0.63777108
   0.35952535  0.37203249  0.74913676
   0.12513668  0.68270875 -0.00105276
   0.41367770  0.58553486  0.37289730
   0.07001349  0.89692769  0.14374424
   0.33303881  0.83802802  0.24626213
   0.17595977  0.65003049  0.49873997
   0.36895700  0.62624915  0.86620636
   0.05678727  0.89700303  0.60377286
   0.34356334  0.98489154  0.68318199
   0.62162388  0.13093450  1.01243242
   0.84940502  0.12498513  0.34555650
   0.61908437  0.41111521  0.11851848
   0.87909044  0.30384814  0.15915976
   0.60876479  0.16586363  0.49034182
   0.87115808  0.07743743  0.87278257
   0.60377939  0.43971003  0.61735119
   0.76247528  0.34228668  0.80243835
   0.61608541  0.65241389 -0.00228632
   0.92156565  0.59189372  0.37742936
   0.59001139  0.89230928  0.14054695
   0.84169181  0.84071847  0.25395744
   0.65542608  0.64766983  0.46370351
   0.86910169  0.59819867  0.88606953
   0.61960199  0.90600647  0.61944591
   0.83145023  0.83951903  0.75917852
   0.10132084  0.05405056  0.14771712
   0.34073179  0.18378976  0.27017820
   0.13423912  0.31998599  0.00941340
   0.34483181  0.44371645  0.33974547
   0.54137574  0.35023707  0.21616046
   0.29677596  0.37881757  0.15728357
   0.22611518  0.12287784  0.44577973
  -0.02719709  0.20304611  0.40193011
   0.02328994  0.05063183  0.55176984
   0.46286495  0.24518457  0.77939852
   0.10301082  0.30891214  0.54355806
   0.35556431  0.46556971  0.84504323
   0.45420132  0.44859347  0.66604933
   0.21612474  0.35778111  0.70606110
   0.24875099  0.20475071 -0.14024916
  -0.00392250  0.12923676  0.93588282
   0.13545478  0.56343515  0.07708166
   0.40616578  0.69890079  0.29110234
   0.09916052  0.83515603  0.03416419
   0.36188967  0.93999540  0.34196231
   0.42907966  0.89748856  0.15895057
   0.17650200  0.83060901  0.21977483
   0.33897262  0.64740175  0.46639335
   0.07900152  0.57687406  0.41687190
   0.17813921  0.54735453  0.58748178
   0.31469536  0.70805699  0.76988946
   0.10689745  0.79269201  0.52190006
   0.37952124  0.98689558  0.79855615
   0.45693713  0.87964708  0.62598912
   0.19162883  0.92673864  0.67032395
   0.27156473  0.68369535 -0.05161448
   0.01419163  0.66334298  0.90455902
   0.62204703  0.05112408  0.11266341
   0.83002201  0.20718752  0.24496273
   0.61299169  0.29624218  0.02874644
   0.88137761  0.44085832  0.34519307
   0.02723867  0.36667428  0.17624922
   0.77513017  0.43022742  0.14909213
   0.71684470  0.13664869  0.40787148
   0.46810696  0.13632024  0.43974826
   0.64477297  0.05984387  0.57722506
   0.84531497  0.19325193  0.79286901
   0.61969533  0.32024746  0.52982465
   0.86188797  0.43480076  0.87004670
   0.97988315  0.47582212  0.69109710
   0.71436562  0.40966023  0.69844103
   0.73937419  0.06226106  0.94456620
   0.47439149  0.11750037  0.95334768
   0.56191693  0.55486163  0.08346784
   0.90261822  0.69619718  0.28609148
   0.61659346  0.80569558  0.04011700
   0.88936684  0.96682684  0.32747846
   0.90975266  0.88751516  0.15254293
   0.68280569  0.84503291  0.22574739
   0.81534991  0.65313765  0.45777506
   0.57365202  0.55216017  0.39462593
   0.62789666  0.59834940  0.57235210
   0.81455880  0.68327251  0.78757417
   0.59719301  0.80554151  0.44514886
   0.91330923  0.92694382  0.83668602
   0.92969012  0.84844742  0.66642263
   0.68232013  0.89527658  0.73322724
   0.77889062  0.63278271  0.97863612
   0.52620841  0.63692458  0.89925720
   0.72551330  0.82144175  0.57199979
   0.54662617  0.83709237  0.38609542
   0.86624843  0.23106133  0.06059724
   0.90973100  0.37712947  0.39914399
   0.33253943  0.11589815  0.63476746
   0.25114725  0.67780188  0.72912311
   0.17196925  1.08020878  0.19036127
   0.23297100  1.06596106 -0.00509948
   0.63040700  0.30271584  0.83620275
   0.88504211  0.47830568  0.68772219
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937778    0.254372   -0.053037
    -0.000000    9.806100    0.032109
    -0.000000    0.000000   13.942186
   Si   O    H 
    32    64    10
Direct configuration=  1990
   0.15283329  0.17233229 -0.04447034
   0.34285512  0.09371695  0.37596308
   0.14801051  0.41341615  0.10494966
   0.38547506  0.33699469  0.24988458
   0.07965388  0.16924358  0.49157424
   0.39995053  0.13810693  0.84838414
   0.10613420  0.41477528  0.63673750
   0.35767074  0.37319406  0.74843998
   0.12511504  0.68302343 -0.00207524
   0.41405975  0.58604237  0.37325576
   0.06949256  0.89574108  0.14325305
   0.33327913  0.83806712  0.24690290
   0.17438923  0.65167342  0.49864462
   0.36974227  0.62618719  0.86713099
   0.05673259  0.89737409  0.60445294
   0.34259215  0.98527362  0.68287564
   0.62092456  0.13167059  1.01215928
   0.84780474  0.12361151  0.34576838
   0.61917529  0.41184167  0.11833514
   0.87937360  0.30353087  0.15890185
   0.60870057  0.16663316  0.49119057
   0.87121828  0.07725737  0.87332784
   0.60248223  0.43960013  0.61713791
   0.76311406  0.34204974  0.80302019
   0.61617279  0.65354722 -0.00331866
   0.92285000  0.58959439  0.37692078
   0.58996991  0.89289758  0.14155723
   0.84119237  0.84189994  0.25442186
   0.65521288  0.64693503  0.46523127
   0.86795067  0.59740024  0.88542146
   0.61995454  0.90674641  0.61978355
   0.83127643  0.83966021  0.75857709
   0.10151403  0.05349805  0.14757932
   0.33910653  0.18367714  0.27131058
   0.13493580  0.32002017  0.01022243
   0.34542112  0.44337256  0.33951485
   0.54058595  0.34995942  0.21607761
   0.29352666  0.37895630  0.15906508
   0.22463738  0.12309376  0.44590570
  -0.02519780  0.20355758  0.40202856
   0.02456040  0.05019760  0.55103283
   0.46458028  0.24551209  0.77928676
   0.10332829  0.30990187  0.54357442
   0.35416685  0.46521478  0.84575339
   0.45276172  0.44927992  0.66794016
   0.21568124  0.35496582  0.70475131
   0.24808507  0.20619557 -0.13949265
  -0.00328476  0.12997545  0.93692726
   0.13651728  0.56207435  0.07744699
   0.40570905  0.69904106  0.29186598
   0.09897697  0.83345252  0.03415990
   0.36189147  0.94037594  0.34219705
   0.42846327  0.89783220  0.15854954
   0.17755789  0.83253878  0.21945724
   0.33690101  0.64833141  0.46633391
   0.08003826  0.57795728  0.41649751
   0.17959451  0.54620628  0.58791489
   0.31522468  0.70906178  0.76934720
   0.10499523  0.79275415  0.52265948
   0.37959086  0.98574208  0.79808629
   0.45713683  0.88135696  0.62489042
   0.19195683  0.92815870  0.67056678
   0.27209082  0.68283777 -0.05201411
   0.01348949  0.66513731  0.90625059
   0.62259070  0.05071598  0.11338043
   0.82934375  0.20678229  0.24490801
   0.61201662  0.29478285  0.02835978
   0.88218657  0.43952937  0.34577360
   0.02705146  0.36925657  0.17650602
   0.77582050  0.42839265  0.14935380
   0.71761612  0.13645883  0.40850320
   0.46734666  0.13589202  0.43893659
   0.64512644  0.05918440  0.57779992
   0.84448171  0.19280085  0.79230467
   0.62055240  0.32183697  0.52949000
   0.86021955  0.43264653  0.87013240
   0.98018576  0.47518457  0.69140824
   0.71719367  0.41102913  0.69903353
   0.73786147  0.06236629  0.94414648
   0.47488794  0.11703966  0.95250546
   0.56226377  0.55586962  0.08308787
   0.90053811  0.69497320  0.28580852
   0.61617060  0.80489590  0.04125400
   0.88768118  0.96805566  0.32686926
   0.90980994  0.88725896  0.15214739
   0.68199106  0.84533802  0.22629137
   0.81771432  0.65346789  0.45883804
   0.57234501  0.55177846  0.39457630
   0.62747989  0.59879520  0.57285261
   0.81607121  0.68440583  0.78824448
   0.59574953  0.80503210  0.44531220
   0.91440175  0.92752154  0.83707370
   0.93003293  0.84742967  0.66790315
   0.68316596  0.89447080  0.73321669
   0.77941415  0.63329633  0.97911146
   0.52503884  0.63719115  0.89912962
   0.72604632  0.82984480  0.58211133
   0.54260036  0.84177749  0.38579819
   0.86729573  0.23809706  0.05625685
   0.90157910  0.38919136  0.39766238
   0.33199802  0.10285030  0.63157736
   0.24055081  0.67964745  0.72916794
   0.17858457  1.08126515  0.19193809
   0.23473871  1.06888941 -0.00287935
   0.63050426  0.30129871  0.84103337
   0.88969980  0.47780659  0.68660132
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939185    0.253493   -0.055979
    -0.000000    9.805493    0.034438
    -0.000000    0.000000   13.942600
   Si   O    H 
    32    64    10
Direct configuration=  1991
   0.15270501  0.17266030 -0.04466811
   0.34394009  0.09350214  0.37571923
   0.14668339  0.41281308  0.10445268
   0.38419650  0.33670920  0.24893026
   0.08028018  0.16979551  0.49075092
   0.40224551  0.13891240  0.84865690
   0.10672906  0.41524229  0.63564730
   0.35586657  0.37430694  0.74711975
   0.12439977  0.68348647 -0.00328652
   0.41406572  0.58657942  0.37398230
   0.06891329  0.89516173  0.14227695
   0.33349873  0.83878347  0.24732196
   0.17255873  0.65290422  0.49802869
   0.37021175  0.62584194  0.86817303
   0.05749952  0.89769293  0.60505175
   0.34183472  0.98512375  0.68238252
   0.61981662  0.13207411  1.01181871
   0.84632949  0.12270554  0.34579019
   0.61938503  0.41216922  0.11818517
   0.88026962  0.30302285  0.15854484
   0.60879993  0.16703638  0.49175103
   0.87135783  0.07716986  0.87390644
   0.60026634  0.43997449  0.61680748
   0.76393545  0.34260413  0.80362286
   0.61698307  0.65413507 -0.00460419
   0.92402799  0.58770762  0.37657950
   0.58981287  0.89378435  0.14188361
   0.84103466  0.84229918  0.25483113
   0.65577084  0.64618736  0.46685772
   0.86710466  0.59692209  0.88447276
   0.62023326  0.90765671  0.62024764
   0.83169800  0.84021742  0.75781663
   0.10167454  0.05313399  0.14816001
   0.33773174  0.18350704  0.27268550
   0.13572648  0.31987276  0.01025378
   0.34707814  0.44277823  0.33936514
   0.53939270  0.34998916  0.21607738
   0.28973413  0.37896319  0.16038871
   0.22205985  0.12352144  0.44615039
  -0.02375275  0.20404177  0.40281997
   0.02537338  0.04890469  0.55056695
   0.46611565  0.24581135  0.77906038
   0.10318364  0.31018862  0.54355664
   0.35302686  0.46530890  0.84615869
   0.45146686  0.44903518  0.66959543
   0.21561545  0.35276293  0.70400230
   0.24801666  0.20741968 -0.13897571
  -0.00267675  0.13073571  0.93789145
   0.13758386  0.56135311  0.07708332
   0.40446089  0.69997462  0.29189183
   0.09881707  0.83231083  0.03470522
   0.36138776  0.94019262  0.34196047
   0.42752674  0.89803248  0.15836609
   0.17891170  0.83306956  0.21922888
   0.33431927  0.64962151  0.46633637
   0.08080781  0.57841325  0.41610323
   0.18077964  0.54527156  0.58769506
   0.31655409  0.71030109  0.76938090
   0.10372691  0.79292214  0.52271133
   0.38118278  0.98447970  0.79798695
   0.45674482  0.88237795  0.62396461
   0.19185207  0.92954960  0.67069505
   0.27232569  0.68222424 -0.05245086
   0.01369767  0.66603239  0.90744936
   0.62286297  0.05054403  0.11376680
   0.82913419  0.20707127  0.24525049
   0.61149699  0.29407739  0.02804840
   0.88191499  0.43931940  0.34509892
   0.02698627  0.37146110  0.17664766
   0.77588115  0.42694375  0.14919581
   0.71758201  0.13656141  0.40911390
   0.46770817  0.13585050  0.43843816
   0.64508519  0.05851240  0.57836292
   0.84351034  0.19284435  0.79138376
   0.62167672  0.32420493  0.52899959
   0.85827621  0.43129361  0.86972342
   0.98125642  0.47422965  0.69228058
   0.71929943  0.41371412  0.69975383
   0.73636756  0.06241283  0.94351904
   0.47493561  0.11722763  0.95132133
   0.56269145  0.55625517  0.08227572
   0.89891547  0.69397696  0.28591968
   0.61645244  0.80470821  0.04267607
   0.88580776  0.96896809  0.32593558
   0.90872235  0.88654809  0.15132463
   0.68147571  0.84484383  0.22711092
   0.82022869  0.65373663  0.46014828
   0.57096088  0.55172808  0.39402354
   0.62607410  0.59878507  0.57320989
   0.81712567  0.68468775  0.78880770
   0.59391768  0.80482998  0.44509265
   0.91537258  0.92781768  0.83793368
   0.93074815  0.84617050  0.66923726
   0.68302939  0.89411801  0.73282170
   0.77952887  0.63320518  0.97962978
   0.52420952  0.63652585  0.89943765
   0.72583781  0.83229243  0.58779910
   0.54550791  0.84054252  0.39065695
   0.86929847  0.24735435  0.05575240
   0.89900879  0.38570245  0.40846570
   0.33200687  0.10220353  0.62585599
   0.23393030  0.68303936  0.73024906
   0.18106750  1.08257564  0.19069955
   0.23697659  1.06399930 -0.00120801
   0.63676270  0.30564296  0.84544181
   0.87586399  0.47731776  0.68184111
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940647    0.252370   -0.059050
    -0.000000    9.804486    0.036338
    -0.000000    0.000000   13.943241
   Si   O    H 
    32    64    10
Direct configuration=  1992
   0.15318893  0.17282432 -0.04484760
   0.34503139  0.09327667  0.37546318
   0.14601848  0.41144904  0.10425516
   0.38262875  0.33703421  0.24803318
   0.08087827  0.16991127  0.48944124
   0.40354518  0.13892074  0.84902567
   0.10853020  0.41552736  0.63431948
   0.35461081  0.37582317  0.74565638
   0.12380231  0.68343232 -0.00464060
   0.41344918  0.58674105  0.37457567
   0.06878027  0.89516506  0.14119295
   0.33405711  0.83924554  0.24778895
   0.17109438  0.65367235  0.49710590
   0.37101719  0.62544285  0.86910903
   0.05819774  0.89879263  0.60569544
   0.34142112  0.98431820  0.68265917
   0.61869207  0.13212075  1.01109923
   0.84520514  0.12197766  0.34639808
   0.61953215  0.41219812  0.11827751
   0.88086186  0.30228632  0.15779618
   0.60903536  0.16651062  0.49221722
   0.87212723  0.07771626  0.87445427
   0.59811712  0.44001352  0.61650937
   0.76440368  0.34271983  0.80416475
   0.61760280  0.65507379 -0.00552390
   0.92477877  0.58651237  0.37663416
   0.58939185  0.89388605  0.14179876
   0.84078453  0.84293854  0.25503087
   0.65684102  0.64519313  0.46805338
   0.86676951  0.59671371  0.88367659
   0.62011945  0.90897244  0.62093820
   0.83196208  0.84115299  0.75743498
   0.10256150  0.05277564  0.14895996
   0.33633944  0.18277391  0.27439711
   0.13623360  0.31962914  0.01020488
   0.34828134  0.44152239  0.33872507
   0.53828164  0.35065013  0.21584050
   0.28618881  0.37932843  0.16133339
   0.21929143  0.12311845  0.44551973
  -0.02224945  0.20470641  0.40357264
   0.02514499  0.04571253  0.55159810
   0.46809006  0.24680713  0.77866489
   0.10282914  0.31145295  0.54370675
   0.35237610  0.46531732  0.84617495
   0.44986828  0.44944657  0.67051781
   0.21592805  0.35045922  0.70367124
   0.24772842  0.20847734 -0.13884148
  -0.00261317  0.13083185  0.93844160
   0.13900884  0.56205604  0.07686563
   0.40332761  0.70100502  0.29159476
   0.09976020  0.83154570  0.03558259
   0.36136223  0.93909033  0.34163417
   0.42610380  0.89776559  0.15839637
   0.18007274  0.83349616  0.21874025
   0.33198142  0.65035002  0.46631343
   0.08171853  0.57859096  0.41544762
   0.18250898  0.54448445  0.58754025
   0.31756291  0.71163039  0.76891021
   0.10203228  0.79372927  0.52265371
   0.38286623  0.98323118  0.79754040
   0.45717380  0.88398264  0.62273146
   0.19107909  0.93080718  0.67107040
   0.27221065  0.68216723 -0.05242573
   0.01340364  0.66688481  0.90952405
   0.62353716  0.05065983  0.11422563
   0.82889169  0.20704801  0.24568367
   0.61185714  0.29460312  0.02844814
   0.88190000  0.43960644  0.34569461
   0.02723296  0.37309986  0.17709295
   0.77513827  0.42614710  0.14851263
   0.71744274  0.13690684  0.41011506
   0.46858567  0.13630448  0.43831041
   0.64459251  0.05815268  0.57859417
   0.84310576  0.19253699  0.79066711
   0.62243460  0.32628422  0.52858744
   0.85709970  0.42993632  0.86948487
   0.98031021  0.47317085  0.69278323
   0.72163034  0.41573196  0.70089036
   0.73534986  0.06304413  0.94263824
   0.47469092  0.11711319  0.95009596
   0.56253885  0.55646114  0.08073360
   0.89775796  0.69320192  0.28604784
   0.61690534  0.80507674  0.04424639
   0.88394773  0.96940713  0.32514914
   0.90785456  0.88484673  0.15113303
   0.68145888  0.84430369  0.22828955
   0.82295104  0.65440083  0.46115602
   0.56979769  0.55149666  0.39387885
   0.62420358  0.59870619  0.57383561
   0.81832134  0.68441739  0.79005398
   0.59150065  0.80445004  0.44515206
   0.91610536  0.92757859  0.83918351
   0.93228909  0.84538341  0.66972335
   0.68191547  0.89436738  0.73222714
   0.77926565  0.63341003  0.97945095
   0.52369394  0.63665117  0.89978799
   0.73345055  0.82738506  0.58777821
   0.54394769  0.83818291  0.39311013
   0.87194969  0.25294823  0.06027639
   0.89480702  0.38437393  0.41218431
   0.33352230  0.10698737  0.62042592
   0.23772725  0.69062193  0.73678598
   0.17959307  1.08035597  0.18392147
   0.23377689  1.05848250 -0.00023497
   0.64702435  0.31412641  0.85288766
   0.87463540  0.47501186  0.67715214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942163    0.251543   -0.061417
    -0.000000    9.803836    0.037941
    -0.000000    0.000000   13.943992
   Si   O    H 
    32    64    10
Direct configuration=  1993
   0.15389014  0.17266434 -0.04515412
   0.34613583  0.09374602  0.37526719
   0.14533520  0.41036420  0.10420995
   0.38150192  0.33771256  0.24730390
   0.08132041  0.17003703  0.48840097
   0.40436673  0.13890012  0.84924346
   0.10969152  0.41607182  0.63323689
   0.35419468  0.37748201  0.74507088
   0.12361955  0.68256858 -0.00656001
   0.41202825  0.58680754  0.37508268
   0.06828378  0.89498371  0.14053832
   0.33507413  0.83972286  0.24793724
   0.17052390  0.65323306  0.49608345
   0.37130175  0.62564334  0.86928429
   0.05877297  0.90001382  0.60618067
   0.34153707  0.98341336  0.68260602
   0.61679760  0.13233074  1.01038483
   0.84449896  0.12185680  0.34685372
   0.61968782  0.41110985  0.11799456
   0.88064637  0.30223644  0.15738410
   0.60915927  0.16632489  0.49271921
   0.87285914  0.07787099  0.87518074
   0.59627260  0.44036263  0.61606838
   0.76466192  0.34214821  0.80446849
   0.61822528  0.65674144 -0.00634856
   0.92537642  0.58579054  0.37662563
   0.58876095  0.89408570  0.14160547
   0.84093378  0.84417862  0.25516368
   0.65780204  0.64460524  0.46883959
   0.86636882  0.59625983  0.88250891
   0.61951331  0.91053211  0.62120542
   0.83186474  0.84205847  0.75720692
   0.10356764  0.05275774  0.14865049
   0.33585654  0.18217289  0.27604287
   0.13635565  0.31871598  0.01005633
   0.35013078  0.44014039  0.33779195
   0.53760822  0.35098490  0.21531278
   0.28314621  0.38020466  0.16195502
   0.21689688  0.12262263  0.44485673
  -0.02203718  0.20516930  0.40362205
   0.02454490  0.04287647  0.55264676
   0.47022967  0.24729909  0.77798972
   0.10194163  0.31288430  0.54357481
   0.35139157  0.46486142  0.84613422
   0.44914499  0.45050019  0.67139021
   0.21572429  0.34711367  0.70305379
   0.24804638  0.20970853 -0.13823328
  -0.00238741  0.13073360  0.93825288
   0.13975505  0.56353136  0.07649798
   0.40189025  0.70167110  0.29141699
   0.10082307  0.83155195  0.03641293
   0.36166348  0.93743414  0.34123755
   0.42507378  0.89736060  0.15893460
   0.18111036  0.83429772  0.21859292
   0.32969415  0.65178289  0.46650218
   0.08215971  0.57908064  0.41432026
   0.18411492  0.54430460  0.58760050
   0.31924249  0.71277404  0.76860131
   0.10032449  0.79478084  0.52265977
   0.38423353  0.98196703  0.79715662
   0.45769897  0.88598585  0.62196710
   0.18974497  0.93175192  0.67219698
   0.27168971  0.68211668 -0.05231475
   0.01332503  0.66769927  0.91152058
   0.62374464  0.05091172  0.11453251
   0.82910569  0.20711615  0.24609819
   0.61287092  0.29618393  0.02849120
   0.88138156  0.43907829  0.34650066
   0.02667003  0.37402848  0.17759125
   0.77471995  0.42558879  0.14795898
   0.71765097  0.13725300  0.41035261
   0.46964483  0.13698236  0.43831073
   0.64428907  0.05820726  0.57880349
   0.84257563  0.19156588  0.78992501
   0.62343022  0.32773612  0.52879444
   0.85676428  0.42859643  0.86948637
   0.97899868  0.47149596  0.69323976
   0.72402579  0.41844494  0.70209083
   0.73495876  0.06471251  0.94157845
   0.47545026  0.11647628  0.94978364
   0.56227466  0.55761956  0.07955872
   0.89628231  0.69268085  0.28587006
   0.61727121  0.80510647  0.04588124
   0.88233100  0.96832221  0.32438620
   0.90668310  0.88294014  0.15129431
   0.68115629  0.84362298  0.22902161
   0.82520827  0.65473213  0.46193241
   0.56947841  0.55040243  0.39367165
   0.62305114  0.59803828  0.57455295
   0.82061110  0.68380400  0.79148333
   0.58962940  0.80420812  0.44553493
   0.91633671  0.92723104  0.84037888
   0.93378517  0.84435618  0.66961764
   0.68050064  0.89492504  0.73203717
   0.77952429  0.63363217  0.97916205
   0.52308990  0.63668831  0.89981022
   0.73723597  0.82040090  0.58262619
   0.53832772  0.84062188  0.38869956
   0.87758833  0.25553756  0.06549682
   0.89087878  0.38582786  0.40768901
   0.33904530  0.11456253  0.61923931
   0.23604176  0.69361444  0.74011465
   0.18237563  1.08040171  0.17845068
   0.22976448  1.05485611 -0.00048000
   0.64981873  0.32036078  0.86125272
   0.88825532  0.47300792  0.67389987
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943076    0.250251   -0.063922
    -0.000000    9.802833    0.039523
    -0.000000    0.000000   13.944499
   Si   O    H 
    32    64    10
Direct configuration=  1994
   0.15439483  0.17188869 -0.04510415
   0.34692277  0.09422772  0.37496367
   0.14541949  0.40952473  0.10465764
   0.38062389  0.33795626  0.24652620
   0.08145700  0.16980278  0.48761356
   0.40428146  0.13886333  0.84920039
   0.11093254  0.41684162  0.63196193
   0.35404472  0.37913763  0.74478620
   0.12366977  0.68188093 -0.00841118
   0.41068362  0.58694487  0.37577536
   0.06758341  0.89446580  0.14011067
   0.33620121  0.84030440  0.24804120
   0.17013544  0.65259652  0.49488245
   0.37123062  0.62602836  0.86920248
   0.05861294  0.90158590  0.60672748
   0.34212387  0.98263369  0.68262174
   0.61508821  0.13217820  1.00990676
   0.84448671  0.12261222  0.34704108
   0.61938249  0.40977087  0.11787751
   0.88063958  0.30227077  0.15722435
   0.60904799  0.16625027  0.49288470
   0.87363242  0.07828745  0.87540641
   0.59466234  0.44041735  0.61586300
   0.76489592  0.34084322  0.80437184
   0.61910628  0.65812078 -0.00673688
   0.92653204  0.58556089  0.37688053
   0.58813480  0.89370988  0.14142966
   0.84151013  0.84526655  0.25506136
   0.65927955  0.64437629  0.46969517
   0.86559108  0.59639372  0.88149597
   0.61867276  0.91209989  0.62125376
   0.83173081  0.84230428  0.75713798
   0.10355971  0.05328832  0.14868026
   0.33533896  0.18187118  0.27734357
   0.13722094  0.31760912  0.01003981
   0.35183905  0.43967640  0.33702987
   0.53792302  0.35141488  0.21508480
   0.28052147  0.38070348  0.16188460
   0.21522128  0.12212157  0.44431402
  -0.02240578  0.20538002  0.40387392
   0.02373796  0.04037537  0.55353686
   0.47219835  0.24808468  0.77728043
   0.10090441  0.31460716  0.54381735
   0.35063368  0.46459407  0.84570676
   0.44852591  0.45120741  0.67118967
   0.21594991  0.34378951  0.70237463
   0.24866761  0.21024206 -0.13786737
  -0.00238745  0.13025150  0.93850369
   0.14038127  0.56565154  0.07578317
   0.40051737  0.70230672  0.29118806
   0.10121392  0.83174207  0.03697380
   0.36206178  0.93633004  0.34071299
   0.42434766  0.89620582  0.15893461
   0.18133572  0.83454137  0.21933343
   0.32645054  0.65308456  0.46665731
   0.08259569  0.57933810  0.41246518
   0.18587916  0.54401905  0.58752289
   0.32196749  0.71357600  0.76838090
   0.09867551  0.79591813  0.52299429
   0.38601298  0.98145599  0.79633826
   0.45815770  0.88763450  0.62139712
   0.18903067  0.93223305  0.67358512
   0.27017232  0.68259553 -0.05161140
   0.01257720  0.66768340  0.91317106
   0.62383970  0.05179968  0.11482806
   0.82915397  0.20768555  0.24726374
   0.61395757  0.29745966  0.02835689
   0.88133424  0.43823686  0.34759574
   0.02573776  0.37485085  0.17804606
   0.77413790  0.42539664  0.14779066
   0.71845472  0.13659397  0.41127464
   0.47209043  0.13812226  0.43808623
   0.64453839  0.05835164  0.57865151
   0.84185895  0.19087993  0.78920034
   0.62356462  0.32894960  0.52928088
   0.85649361  0.42799523  0.86984755
   0.97769048  0.47037698  0.69401437
   0.72573669  0.42004771  0.70270409
   0.73466365  0.06676540  0.94089393
   0.47576648  0.11586403  0.94969367
   0.56213200  0.55830228  0.07853290
   0.89406072  0.69257334  0.28610415
   0.61713536  0.80454053  0.04726038
   0.88126258  0.96748847  0.32364776
   0.90547138  0.88258770  0.15138782
   0.68117155  0.84273661  0.23018792
   0.82622055  0.65538106  0.46168495
   0.56957454  0.55035941  0.39352990
   0.62243914  0.59623353  0.57541273
   0.82241191  0.68338512  0.79294895
   0.58871928  0.80427326  0.44623331
   0.91579346  0.92698807  0.84144488
   0.93583398  0.84364976  0.66882456
   0.67908803  0.89611606  0.73133767
   0.77994627  0.63392707  0.97907137
   0.52337429  0.63673414  0.89999192
   0.73296498  0.81770697  0.57731621
   0.53530043  0.84333622  0.38738320
   0.88081498  0.24946720  0.06627574
   0.89058433  0.38535335  0.40214789
   0.34539645  0.11754071  0.62090596
   0.23090979  0.69671500  0.74290663
   0.19196139  1.08482620  0.17599768
   0.22636508  1.05735928  0.00145618
   0.64638630  0.32952549  0.87165572
   0.89454094  0.46857832  0.66802388
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944186    0.248805   -0.066417
    -0.000000    9.801821    0.040928
    -0.000000    0.000000   13.944895
   Si   O    H 
    32    64    10
Direct configuration=  1995
   0.15522917  0.17151266 -0.04509805
   0.34739742  0.09478413  0.37437836
   0.14533998  0.40868743  0.10491547
   0.37983491  0.33745182  0.24575604
   0.08106585  0.16978084  0.48737294
   0.40425984  0.13892115  0.84908276
   0.11195261  0.41797120  0.63074572
   0.35412079  0.38023991  0.74455136
   0.12420717  0.68104898 -0.01014904
   0.40912685  0.58745703  0.37659438
   0.06699872  0.89392238  0.13951045
   0.33707599  0.84090971  0.24846262
   0.16992769  0.65171507  0.49377425
   0.37074452  0.62590949  0.86857892
   0.05906250  0.90295750  0.60721679
   0.34287228  0.98211165  0.68216155
   0.61399534  0.13153694  1.00969253
   0.84533259  0.12414119  0.34689180
   0.61908987  0.40837361  0.11755705
   0.88082373  0.30216508  0.15703725
   0.60802787  0.16630030  0.49306981
   0.87477912  0.07843041  0.87605352
   0.59329093  0.44021033  0.61639606
   0.76479123  0.33993365  0.80419474
   0.61994071  0.65885220 -0.00664863
   0.92753644  0.58678547  0.37733688
   0.58785677  0.89308583  0.14156302
   0.84184546  0.84645076  0.25516784
   0.66014670  0.64421695  0.46988872
   0.86588337  0.59595272  0.88069157
   0.61834008  0.91260027  0.62153655
   0.83102389  0.84246584  0.75712066
   0.10378132  0.05398096  0.14855014
   0.33529613  0.18186830  0.27880833
   0.13711792  0.31684840  0.00961106
   0.35379692  0.43999056  0.33646812
   0.53886783  0.35135188  0.21430961
   0.27874835  0.38139466  0.16142855
   0.21409956  0.12181840  0.44351082
  -0.02380607  0.20580755  0.40342729
   0.02209046  0.03766573  0.55376494
   0.47381801  0.24918444  0.77636133
   0.09924348  0.31524008  0.54400808
   0.35132862  0.46389063  0.84509197
   0.44875458  0.45191865  0.67068840
   0.21583616  0.33980930  0.70189747
   0.24965955  0.21032186 -0.13688385
  -0.00237061  0.12975485  0.93857056
   0.14053747  0.56869483  0.07474674
   0.39921241  0.70241156  0.29104001
   0.10111086  0.83171567  0.03741031
   0.36242429  0.93524710  0.34050709
   0.42382897  0.89564379  0.15836033
   0.18084178  0.83431375  0.21962627
   0.32452452  0.65381349  0.46701450
   0.08338400  0.58067779  0.41100616
   0.18784867  0.54401545  0.58788253
   0.32401491  0.71373348  0.76855033
   0.09828924  0.79687838  0.52371105
   0.38755363  0.98099070  0.79608043
   0.45885310  0.88885751  0.62163577
   0.18696746  0.93252777  0.67499255
   0.26928571  0.68331709 -0.05083862
   0.01061577  0.66717809  0.91473614
   0.62517330  0.05320930  0.11484695
   0.82913926  0.20836730  0.24830457
   0.61504263  0.29856268  0.02818572
   0.88104323  0.43776047  0.34831962
   0.02432512  0.37525698  0.17875869
   0.77300734  0.42605499  0.14812275
   0.71893461  0.13557244  0.41191815
   0.47378627  0.13951230  0.43776907
   0.64481277  0.05846235  0.57844490
   0.84141270  0.18943266  0.78853794
   0.62379363  0.33003200  0.52980966
   0.85692016  0.42904623  0.87055520
   0.97748897  0.46899416  0.69462218
   0.72710220  0.42156712  0.70329953
   0.73443580  0.06843725  0.94101846
   0.47655839  0.11458825  0.94941393
   0.56208346  0.55918000  0.07794417
   0.89243343  0.69279979  0.28609274
   0.61699305  0.80379024  0.04894969
   0.88047914  0.96705867  0.32322099
   0.90415759  0.88265106  0.15194773
   0.68092079  0.84185934  0.23161446
   0.82753878  0.65556335  0.46147179
   0.57001585  0.55027863  0.39338625
   0.62247287  0.59438261  0.57646024
   0.82368287  0.68322634  0.79379573
   0.58743501  0.80418012  0.44669092
   0.91408250  0.92631939  0.84184793
   0.93747616  0.84387292  0.66797664
   0.67879055  0.89690273  0.73089973
   0.77996266  0.63393109  0.97854489
   0.52440836  0.63655401  0.89919956
   0.72500652  0.81641443  0.57250660
   0.53372556  0.84074517  0.39037739
   0.88351254  0.23834436  0.06351888
   0.89298615  0.37251732  0.40232482
   0.35184483  0.11676602  0.62636208
   0.22901210  0.70314124  0.74553290
   0.19456224  1.08850725  0.17029239
   0.22453923  1.06039556  0.00275726
   0.64386896  0.33787392  0.87941488
   0.88163252  0.46385243  0.65823715
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945199    0.247481   -0.068727
    -0.000000    9.800645    0.042427
    -0.000000    0.000000   13.944933
   Si   O    H 
    32    64    10
Direct configuration=  1996
   0.15531934  0.17119560 -0.04500646
   0.34749019  0.09577319  0.37445626
   0.14488182  0.40803185  0.10498135
   0.37943306  0.33682505  0.24499698
   0.08034998  0.16960721  0.48781186
   0.40407511  0.13920886  0.84892390
   0.11239976  0.41899254  0.62962044
   0.35449894  0.38121683  0.74503054
   0.12529112  0.68070112 -0.01150951
   0.40863001  0.58759939  0.37735488
   0.06674977  0.89393777  0.13926896
   0.33727955  0.84157398  0.24850185
   0.16882134  0.65130798  0.49306592
   0.37019488  0.62511003  0.86818002
   0.05949920  0.90376141  0.60759242
   0.34361236  0.98245041  0.68171521
   0.61293622  0.13106060  1.00954890
   0.84640375  0.12546561  0.34656978
   0.61872879  0.40698726  0.11734194
   0.88073030  0.30184233  0.15751399
   0.60786117  0.16616536  0.49288272
   0.87568124  0.07855492  0.87684000
   0.59262311  0.44022323  0.61684724
   0.76416918  0.33923310  0.80415245
   0.62152712  0.65971447 -0.00679856
   0.92810483  0.58794422  0.37725797
   0.58713855  0.89259820  0.14203915
   0.84174692  0.84674909  0.25507716
   0.66129720  0.64476707  0.46970507
   0.86713629  0.59563944  0.88025054
   0.61876133  0.91242188  0.62159750
   0.83001041  0.84236262  0.75699040
   0.10432263  0.05461096  0.14849968
   0.33549418  0.18293598  0.27958458
   0.13668538  0.31731084  0.00924877
   0.35519429  0.44001034  0.33620121
   0.53945437  0.35249586  0.21359386
   0.27770593  0.38206138  0.16097795
   0.21413646  0.12070827  0.44254002
  -0.02587011  0.20693041  0.40287533
   0.01983704  0.03669285  0.55358119
   0.47523844  0.25014365  0.77617700
   0.09714567  0.31486695  0.54333599
   0.35245749  0.46400775  0.84438899
   0.44968302  0.45301016  0.66936844
   0.21583183  0.33680500  0.70175433
   0.25035036  0.20970030 -0.13518072
  -0.00187858  0.12989017  0.93859592
   0.14085888  0.57126541  0.07302075
   0.39798720  0.70226619  0.29137076
   0.10068155  0.83221121  0.03771164
   0.36281645  0.93449310  0.34070114
   0.42366333  0.89613732  0.15771691
   0.17957746  0.83362891  0.21978000
   0.32250172  0.65434937  0.46708465
   0.08366460  0.58132087  0.40934500
   0.18935685  0.54446344  0.58774685
   0.32590794  0.71311745  0.76845061
   0.09902522  0.79745626  0.52503201
   0.38935939  0.98154086  0.79601651
   0.45930496  0.88986793  0.62171582
   0.18634987  0.93188333  0.67666855
   0.26853214  0.68388887 -0.05066626
   0.00882854  0.66609586  0.91579619
   0.62651532  0.05451335  0.11480974
   0.82838318  0.20895728  0.24888502
   0.61615941  0.29910292  0.02830464
   0.88062333  0.43716443  0.34926283
   0.02306852  0.37577723  0.17953140
   0.77181088  0.42758116  0.14859012
   0.71880759  0.13477024  0.41256832
   0.47448189  0.14147772  0.43766953
   0.64586503  0.05807268  0.57772994
   0.84076259  0.18706239  0.78791679
   0.62445614  0.33120039  0.53018043
   0.85779494  0.43068043  0.87139693
   0.97671894  0.46797990  0.69459220
   0.72768869  0.42317833  0.70367664
   0.73464989  0.06964620  0.94125939
   0.47740784  0.11274749  0.94975700
   0.56095696  0.55990044  0.07805461
   0.89059650  0.69293559  0.28610926
   0.61667701  0.80315222  0.05022828
   0.87916554  0.96746073  0.32329879
   0.90390027  0.88330139  0.15213156
   0.68063150  0.84090085  0.23287408
   0.82806152  0.65638092  0.46123188
   0.57053310  0.55038338  0.39335621
   0.62266255  0.59215545  0.57738741
   0.82468049  0.68307143  0.79382909
   0.58721626  0.80426068  0.44726957
   0.91270526  0.92591492  0.84189585
   0.93772736  0.84403252  0.66692474
   0.67834791  0.89705964  0.73068835
   0.78042002  0.63393844  0.97853529
   0.52476987  0.63565970  0.89871120
   0.71276929  0.81744640  0.57082999
   0.53395137  0.83418112  0.39682318
   0.88710740  0.22623627  0.05932121
   0.89498074  0.35897478  0.40033464
   0.35555828  0.11502450  0.63536186
   0.23363024  0.71513353  0.74775550
   0.19199972  1.09057461  0.16357809
   0.22346630  1.06201594  0.00657661
   0.64444836  0.34105303  0.87945052
   0.87740457  0.46156296  0.65198853
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946329    0.246028   -0.070362
    -0.000000    9.799306    0.043961
    -0.000000    0.000000   13.944913
   Si   O    H 
    32    64    10
Direct configuration=  1997
   0.15527138  0.17112703 -0.04480939
   0.34722757  0.09627857  0.37486474
   0.14449320  0.40775473  0.10527583
   0.37908820  0.33662297  0.24420133
   0.07972202  0.16911088  0.48842921
   0.40373347  0.13855941  0.84899051
   0.11248209  0.41968478  0.62902075
   0.35468820  0.38117234  0.74514109
   0.12614243  0.68063934 -0.01252026
   0.40755199  0.58737613  0.37821002
   0.06637696  0.89405396  0.13931326
   0.33740222  0.84229792  0.24851350
   0.16771910  0.65181942  0.49294342
   0.36955200  0.62441400  0.86739831
   0.05973240  0.90529442  0.60831395
   0.34485312  0.98233362  0.68143076
   0.61242769  0.13094412  1.00957880
   0.84811433  0.12664010  0.34660970
   0.61789908  0.40571858  0.11687572
   0.88142595  0.30108193  0.15821985
   0.60830960  0.16710413  0.49285147
   0.87626614  0.07889362  0.87789156
   0.59260294  0.43971788  0.61714647
   0.76284849  0.33853954  0.80430650
   0.62266161  0.65991029 -0.00659688
   0.92830578  0.58907549  0.37721336
   0.58679314  0.89229926  0.14225862
   0.84168973  0.84644155  0.25490094
   0.66239536  0.64632439  0.46926117
   0.86814168  0.59568175  0.88001934
   0.61945467  0.91214273  0.62115416
   0.82944656  0.84231365  0.75632224
   0.10536811  0.05590663  0.14923515
   0.33574269  0.18465922  0.28032747
   0.13672120  0.31752750  0.00895578
   0.35593890  0.44068441  0.33606369
   0.53963748  0.35316967  0.21335470
   0.27767312  0.38171951  0.16051009
   0.21497308  0.11980627  0.44112147
  -0.02759163  0.20755207  0.40222847
   0.01794106  0.03719977  0.55383736
   0.47685398  0.25046105  0.77564647
   0.09505121  0.31413285  0.54244512
   0.35381151  0.46349100  0.84379338
   0.45070038  0.45449579  0.66760598
   0.21615376  0.33413421  0.70144732
   0.25155818  0.20892524 -0.13377281
  -0.00120418  0.12953702  0.93913713
   0.14068885  0.57193287  0.07142783
   0.39605655  0.70166763  0.29154594
   0.09980297  0.83216871  0.03753234
   0.36237186  0.93414741  0.34098639
   0.42384034  0.89679215  0.15713933
   0.17816492  0.83324097  0.22021516
   0.32026680  0.65423328  0.46676706
   0.08312136  0.58168101  0.40735937
   0.19033451  0.54540783  0.58784314
   0.32860146  0.71290812  0.76885422
   0.09942948  0.79739863  0.52605938
   0.39063406  0.98261754  0.79647827
   0.45936270  0.89034036  0.62169755
   0.18600310  0.93112130  0.67890472
   0.26878816  0.68412297 -0.05122697
   0.00698569  0.66503861  0.91626915
   0.62779849  0.05517098  0.11496559
   0.82723908  0.21019333  0.24916152
   0.61738496  0.30026020  0.02887094
   0.87993930  0.43696309  0.35009719
   0.02223095  0.37472812  0.18099676
   0.77077559  0.42861605  0.14831239
   0.71851575  0.13353220  0.41382417
   0.47500020  0.14346058  0.43748548
   0.64670413  0.05784014  0.57689285
   0.83952158  0.18555167  0.78673656
   0.62474930  0.33087350  0.53042014
   0.85892085  0.43300794  0.87241158
   0.97506856  0.46727326  0.69444294
   0.72779485  0.42434274  0.70309584
   0.73459980  0.07111800  0.94142510
   0.47801263  0.11116925  0.95061131
   0.56051609  0.55998799  0.07793099
   0.88821485  0.69391878  0.28654402
   0.61689120  0.80266956  0.05126334
   0.87757491  0.96760221  0.32399597
   0.90432216  0.88377718  0.15219469
   0.67955320  0.83922358  0.23423918
   0.82884682  0.65767821  0.46172387
   0.57014253  0.54976951  0.39363233
   0.62223971  0.58992473  0.57792843
   0.82473027  0.68361137  0.79367535
   0.58693056  0.80435130  0.44792594
   0.91165214  0.92643023  0.84171465
   0.93692311  0.84345301  0.66600079
   0.67761631  0.89745204  0.73111041
   0.78104634  0.63331996  0.97827480
   0.52510530  0.63475464  0.89854513
   0.69925365  0.81638824  0.56859187
   0.52616151  0.83213163  0.39548542
   0.89099001  0.21869952  0.05949498
   0.89641323  0.34902169  0.39144617
   0.35751274  0.11209535  0.64355508
   0.23895509  0.72691516  0.74888379
   0.19065458  1.09334183  0.16238001
   0.22446060  1.06045425  0.00859557
   0.64584131  0.34463349  0.87518720
   0.88385524  0.46207813  0.65139139
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947556    0.245322   -0.072096
    -0.000000    9.798185    0.045506
    -0.000000    0.000000   13.944759
   Si   O    H 
    32    64    10
Direct configuration=  1998
   0.15472603  0.17067640 -0.04407051
   0.34608461  0.09651147  0.37565208
   0.14378756  0.40738565  0.10570205
   0.37863594  0.33670811  0.24294335
   0.07895312  0.16810585  0.48908323
   0.40338517  0.13824004  0.84828732
   0.11248806  0.41981508  0.62886559
   0.35529976  0.38022984  0.74511721
   0.12626449  0.68075456 -0.01338289
   0.40653912  0.58740632  0.37856633
   0.06657355  0.89437898  0.13946042
   0.33784391  0.84304225  0.24847257
   0.16649088  0.65206123  0.49333883
   0.36940295  0.62357290  0.86648445
   0.06075833  0.90638601  0.60940855
   0.34606208  0.98171229  0.68123974
   0.61278379  0.13118069  1.00947787
   0.84909958  0.12736395  0.34644314
   0.61749831  0.40478588  0.11697242
   0.88261970  0.30062365  0.15850641
   0.60852282  0.16825460  0.49280276
   0.87637083  0.07931445  0.87861147
   0.59238180  0.43897586  0.61735901
   0.76204948  0.33765087  0.80437236
   0.62315787  0.65940609 -0.00621847
   0.92767715  0.58949647  0.37704918
   0.58663745  0.89189864  0.14225349
   0.84161980  0.84596448  0.25454703
   0.66361942  0.64814750  0.46909741
   0.86870094  0.59531783  0.88043703
   0.61997198  0.91128715  0.62056557
   0.82928922  0.84237221  0.75565310
   0.10641131  0.05739653  0.15024997
   0.33641032  0.18563286  0.28098988
   0.13647380  0.31724377  0.00839495
   0.35710011  0.44141510  0.33609741
   0.53921578  0.35465886  0.21291456
   0.27856164  0.38082249  0.16004004
   0.21578117  0.11827248  0.43945797
  -0.02998102  0.20802647  0.40173773
   0.01642122  0.03969748  0.55314446
   0.47831024  0.25003433  0.77514801
   0.09300901  0.31331031  0.54154731
   0.35521706  0.46306823  0.84319420
   0.45140101  0.45501739  0.66567478
   0.21571524  0.33190482  0.70081615
   0.25256709  0.20808600 -0.13346976
   0.00001749  0.12852502  0.93919487
   0.14009174  0.57170760  0.07045261
   0.39419133  0.69994372  0.29187173
   0.09934338  0.83102289  0.03676423
   0.36251865  0.93464425  0.34129903
   0.42419567  0.89753127  0.15641027
   0.17663768  0.83267762  0.22006164
   0.31830545  0.65348942  0.46683523
   0.08233383  0.58204986  0.40555249
   0.19128598  0.54646904  0.58750913
   0.33145116  0.71206796  0.76931000
   0.10058641  0.79646918  0.52664792
   0.39159620  0.98409787  0.79728213
   0.45861296  0.89127164  0.62095334
   0.18548689  0.93091596  0.68140803
   0.27018964  0.68421434 -0.05223042
   0.00483862  0.66430510  0.91686754
   0.62937881  0.05509467  0.11487043
   0.82600920  0.21082810  0.24894428
   0.61843229  0.30105263  0.02960880
   0.87959967  0.43628924  0.35141302
   0.02133007  0.37407984  0.18244548
   0.77028503  0.42951102  0.14792555
   0.71863088  0.13266203  0.41531473
   0.47513441  0.14500839  0.43769316
   0.64822241  0.05802200  0.57599648
   0.83818589  0.18450111  0.78611430
   0.62446270  0.33083372  0.53073137
   0.85977429  0.43387713  0.87367534
   0.97272126  0.46718792  0.69293576
   0.72777403  0.42444965  0.70247793
   0.73392901  0.07292235  0.94104125
   0.47889266  0.11073726  0.95090864
   0.56054028  0.56024167  0.07806626
   0.88626750  0.69508831  0.28652993
   0.61720993  0.80240609  0.05126673
   0.87602379  0.96734342  0.32468410
   0.90547453  0.88392306  0.15275487
   0.67857677  0.83825780  0.23517152
   0.83017998  0.65871173  0.46251138
   0.56937664  0.54924069  0.39395923
   0.62175504  0.58825039  0.57843398
   0.82384132  0.68426986  0.79296062
   0.58716839  0.80375451  0.44845524
   0.91025266  0.92707741  0.84128040
   0.93567404  0.84361929  0.66528851
   0.67690696  0.89724642  0.73137618
   0.78089115  0.63283009  0.97820958
   0.52541115  0.63372660  0.89780316
   0.68592658  0.81200391  0.56856502
   0.51705365  0.82921542  0.39554928
   0.89571299  0.21569069  0.06382659
   0.90237523  0.34666201  0.38007470
   0.36051389  0.11553772  0.64671872
   0.23882573  0.74116301  0.74923445
   0.19379969  1.09218596  0.16519539
   0.22693211  1.05818204  0.00926796
   0.64748937  0.34624866  0.86793770
   0.89575235  0.46438143  0.65587748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948567    0.244857   -0.073457
    -0.000000    9.797473    0.047404
    -0.000000    0.000000   13.944640
   Si   O    H 
    32    64    10
Direct configuration=  1999
   0.15413921  0.16981959 -0.04348534
   0.34555947  0.09650879  0.37619816
   0.14229666  0.40671009  0.10602070
   0.37825273  0.33637439  0.24225992
   0.07777029  0.16702361  0.48995783
   0.40316519  0.13765231  0.84734633
   0.11233966  0.41970301  0.62912961
   0.35659748  0.37922774  0.74528769
   0.12613669  0.68096542 -0.01424441
   0.40630725  0.58697797  0.37860177
   0.06714255  0.89500367  0.13965444
   0.33816066  0.84346983  0.24861719
   0.16522509  0.65267293  0.49400882
   0.36943092  0.62307536  0.86585112
   0.06199727  0.90739028  0.60979211
   0.34674264  0.98081255  0.68138087
   0.61289999  0.13166803  1.00942405
   0.85014618  0.12864954  0.34609386
   0.61661827  0.40470366  0.11691221
   0.88356593  0.30023336  0.15860174
   0.60916204  0.16981589  0.49306242
   0.87627975  0.08013384  0.87924955
   0.59249625  0.43834489  0.61781254
   0.76074997  0.33665071  0.80410189
   0.62348758  0.65884577 -0.00558198
   0.92697602  0.59001622  0.37716039
   0.58707849  0.89191215  0.14280931
   0.84151999  0.84570921  0.25397027
   0.66460608  0.64989476  0.46904786
   0.86966400  0.59523748  0.88113622
   0.62047286  0.91064319  0.61966958
   0.82946367  0.84262763  0.75527999
   0.10658540  0.05874219  0.15076778
   0.33727885  0.18700507  0.28158577
   0.13678729  0.31663369  0.00829869
   0.35756502  0.44231109  0.33623261
   0.53811960  0.35669688  0.21226091
   0.28017728  0.37915424  0.16007724
   0.21645690  0.11705477  0.43752746
  -0.03217796  0.20788902  0.40183257
   0.01458937  0.04283537  0.55255434
   0.47886917  0.25005516  0.77445675
   0.09024905  0.31209178  0.54121563
   0.35666762  0.46305551  0.84251724
   0.45189672  0.45589038  0.66368370
   0.21489891  0.32887882  0.70008796
   0.25383935  0.20808836 -0.13307458
   0.00147930  0.12741847  0.93899431
   0.13904168  0.57099051  0.07002377
   0.39189563  0.69798863  0.29226320
   0.09876159  0.82946452  0.03591959
   0.36277362  0.93454834  0.34127750
   0.42424230  0.89744558  0.15531513
   0.17618804  0.83219634  0.22008073
   0.31664761  0.65276493  0.46628057
   0.08181684  0.58274911  0.40379336
   0.19175203  0.54750739  0.58750495
   0.33386122  0.71185503  0.76938043
   0.10130783  0.79653301  0.52761513
   0.39299400  0.98520982  0.79715752
   0.45791083  0.89146908  0.62002543
   0.18550784  0.93045525  0.68386972
   0.27233637  0.68408294 -0.05285540
   0.00368617  0.66346297  0.91725400
   0.63100880  0.05446351  0.11531749
   0.82483573  0.21023260  0.24881215
   0.61890641  0.30149136  0.02999690
   0.87986233  0.43618774  0.35285189
   0.02030558  0.37443383  0.18399910
   0.76982146  0.42970389  0.14789915
   0.71900228  0.13213456  0.41718112
   0.47485465  0.14593770  0.43804335
   0.64982612  0.05769003  0.57565807
   0.83668917  0.18387286  0.78574087
   0.62384902  0.33067687  0.53097848
   0.86077005  0.43463436  0.87510150
   0.97228018  0.46740802  0.69186174
   0.72806806  0.42426819  0.70196526
   0.73396165  0.07543835  0.94051957
   0.47938181  0.11031642  0.95131973
   0.56097023  0.56012996  0.07835354
   0.88489536  0.69562754  0.28708597
   0.61796834  0.80138986  0.05060498
   0.87486880  0.96704094  0.32573938
   0.90651001  0.88372177  0.15313146
   0.67729881  0.83778145  0.23623902
   0.83101775  0.65970719  0.46350008
   0.56861589  0.54911003  0.39446088
   0.62152067  0.58725149  0.57873184
   0.82278898  0.68557045  0.79224748
   0.58825142  0.80348753  0.44848421
   0.90930637  0.92796335  0.84116625
   0.93455080  0.84407126  0.66470719
   0.67739441  0.89629901  0.73128372
   0.77953982  0.63272821  0.97795846
   0.52582348  0.63252087  0.89674155
   0.67981984  0.80199364  0.56823089
   0.51226797  0.82388471  0.39886443
   0.89876515  0.21269946  0.07095746
   0.90791284  0.34708928  0.37167735
   0.36450256  0.12506951  0.64967344
   0.24593088  0.75113709  0.75254682
   0.19742925  1.08943042  0.17026246
   0.22685392  1.05743355  0.01081931
   0.65003607  0.34639334  0.85922895
   0.89124185  0.47050184  0.65596281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949514    0.244375   -0.074972
    -0.000000    9.796911    0.049403
    -0.000000    0.000000   13.944466
   Si   O    H 
    32    64    10
Direct configuration=  2000
   0.15358173  0.16845636 -0.04285963
   0.34543581  0.09708834  0.37639247
   0.14064541  0.40626866  0.10596615
   0.37835389  0.33613186  0.24199328
   0.07678187  0.16567096  0.49070849
   0.40260681  0.13700405  0.84627000
   0.11188834  0.41924902  0.62992085
   0.35837574  0.37798469  0.74531649
   0.12628964  0.68206829 -0.01438040
   0.40628953  0.58673761  0.37850086
   0.06815558  0.89600952  0.13987148
   0.33848642  0.84309697  0.24846680
   0.16423365  0.65290059  0.49469170
   0.36923661  0.62288433  0.86506657
   0.06238987  0.90774845  0.61008691
   0.34789590  0.98041891  0.68148890
   0.61416493  0.13164179  1.00943177
   0.85003136  0.12922864  0.34555568
   0.61514742  0.40534825  0.11677120
   0.88403258  0.29919309  0.15883109
   0.61023472  0.17177088  0.49325690
   0.87539352  0.08073439  0.87983581
   0.59383355  0.43775326  0.61832487
   0.75968901  0.33659457  0.80392683
   0.62420497  0.65866508 -0.00505952
   0.92582850  0.59082539  0.37716445
   0.58729885  0.89201867  0.14356567
   0.84064158  0.84587061  0.25332880
   0.66491482  0.65151202  0.46881849
   0.87046188  0.59475402  0.88182627
   0.62133778  0.91049210  0.61894719
   0.83000042  0.84249315  0.75516758
   0.10710206  0.05968909  0.15158909
   0.33863025  0.18894212  0.28161457
   0.13781611  0.31532014  0.00875761
   0.35819477  0.44213065  0.33633033
   0.53651702  0.35867350  0.21149089
   0.28171011  0.37751251  0.16026959
   0.21635941  0.11529309  0.43642817
  -0.03425387  0.20776743  0.40209577
   0.01304321  0.04666101  0.55184559
   0.47824422  0.25051736  0.77343812
   0.08745762  0.31075545  0.54074300
   0.35817881  0.46378823  0.84188664
   0.45138611  0.45635478  0.66222763
   0.21414638  0.32673897  0.69971430
   0.25546203  0.20751151 -0.13245521
   0.00234469  0.12616180  0.93884365
   0.13757466  0.56978023  0.07002816
   0.38948634  0.69581264  0.29257216
   0.09807052  0.82928577  0.03495634
   0.36322173  0.93580537  0.34206788
   0.42268055  0.89745398  0.15441593
   0.17508198  0.83092564  0.22038956
   0.31612700  0.65239967  0.46573074
   0.08166315  0.58296413  0.40280742
   0.19237655  0.54890383  0.58747820
   0.33616653  0.71203544  0.76976219
   0.10243615  0.79645531  0.52797851
   0.39369973  0.98658657  0.79666423
   0.45705951  0.89166003  0.61910694
   0.18650005  0.93015990  0.68552463
   0.27532357  0.68352003 -0.05341755
   0.00280907  0.66210071  0.91727530
   0.63208502  0.05338604  0.11638379
   0.82401793  0.20936976  0.24858531
   0.61877886  0.30133467  0.03040883
   0.87986913  0.43674641  0.35380350
   0.01986763  0.37514432  0.18506678
   0.77032549  0.42955146  0.14784314
   0.72004556  0.13121107  0.41826269
   0.47503330  0.14705958  0.43748377
   0.65070150  0.05611179  0.57517665
   0.83615665  0.18345032  0.78555775
   0.62333702  0.32917015  0.53123604
   0.86128079  0.43503703  0.87655459
   0.97253436  0.46715022  0.69050106
   0.72726126  0.42286313  0.70163001
   0.73423394  0.07883596  0.94011555
   0.47927837  0.11082762  0.95249951
   0.56066253  0.55952905  0.07841489
   0.88308535  0.69619143  0.28733949
   0.61857065  0.80072845  0.05008978
   0.87489548  0.96719362  0.32709294
   0.90806440  0.88255845  0.15344027
   0.67626589  0.83669062  0.23729382
   0.83107140  0.66061233  0.46443700
   0.56854268  0.54949804  0.39509629
   0.62104952  0.58745292  0.57870726
   0.82187369  0.68664766  0.79115789
   0.58870295  0.80348257  0.44838779
   0.90840322  0.92883967  0.84066239
   0.93364862  0.84339388  0.66426610
   0.67745157  0.89529162  0.73080152
   0.77821245  0.63210443  0.97764169
   0.52641145  0.63145083  0.89589700
   0.67633527  0.79212720  0.56877637
   0.51588240  0.81892190  0.40686020
   0.89831635  0.21158104  0.07815279
   0.91535184  0.34326907  0.36662865
   0.36684765  0.13276365  0.65421522
   0.24965210  0.76188768  0.75737617
   0.19744322  1.07890906  0.17399973
   0.22847310  1.05857194  0.00890403
   0.64350106  0.34782354  0.85633566
   0.88038334  0.47583327  0.65458989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950525    0.243883   -0.076419
    -0.000000    9.796407    0.052039
    -0.000000    0.000000   13.944408
   Si   O    H 
    32    64    10
Direct configuration=  2001
   0.15355374  0.16780265 -0.04227058
   0.34603495  0.09708497  0.37668267
   0.13892061  0.40577055  0.10561431
   0.37850130  0.33651420  0.24202768
   0.07545359  0.16533176  0.49084782
   0.40269632  0.13644637  0.84494425
   0.11161226  0.41943608  0.63064009
   0.36042625  0.37656802  0.74510166
   0.12605167  0.68288761 -0.01443406
   0.40644835  0.58703315  0.37878701
   0.06960915  0.89737469  0.13971421
   0.33855627  0.84234369  0.24813147
   0.16330145  0.65237053  0.49529846
   0.36948238  0.62276101  0.86459126
   0.06319810  0.90821275  0.61011278
   0.34886699  0.97979407  0.68128850
   0.61551738  0.13167955  1.01009530
   0.84990908  0.12938576  0.34540242
   0.61368241  0.40589076  0.11694935
   0.88391486  0.29800257  0.15933324
   0.61204331  0.17314609  0.49384006
   0.87394449  0.08107888  0.88003366
   0.59513611  0.43696594  0.61902955
   0.75930065  0.33546637  0.80399085
   0.62467693  0.65823847 -0.00510991
   0.92431953  0.59164031  0.37720717
   0.58771516  0.89227825  0.14447174
   0.84029568  0.84636852  0.25294306
   0.66438781  0.65258331  0.46822729
   0.87117102  0.59385274  0.88243088
   0.62150073  0.91088243  0.61843934
   0.83066250  0.84236544  0.75538221
   0.10770570  0.06100239  0.15227990
   0.34010852  0.19068730  0.28189536
   0.13840129  0.31410945  0.00910053
   0.35901730  0.44118476  0.33693334
   0.53497053  0.36031381  0.21120551
   0.28302273  0.37659940  0.16005798
   0.21575214  0.11249119  0.43560107
  -0.03479828  0.20768255  0.40269818
   0.01217063  0.04895473  0.55135505
   0.47736103  0.25035634  0.77276057
   0.08483859  0.30957297  0.54022092
   0.35911363  0.46431027  0.84122982
   0.45002465  0.45627385  0.66150457
   0.21394080  0.32453621  0.69938448
   0.25750009  0.20781084 -0.13177153
   0.00315227  0.12451246  0.93902093
   0.13585382  0.56876924  0.07031338
   0.38682651  0.69291204  0.29266802
   0.09736097  0.82946302  0.03450981
   0.36365498  0.93739805  0.34297437
   0.42006805  0.89744297  0.15413509
   0.17495560  0.83026674  0.22100156
   0.31592743  0.65226228  0.46461286
   0.08101693  0.58465079  0.40205799
   0.19267033  0.54993784  0.58762802
   0.33774270  0.71277317  0.76919725
   0.10442419  0.79605361  0.52858824
   0.39489901  0.98815179  0.79598290
   0.45599933  0.89148310  0.61817619
   0.18765622  0.93009485  0.68711216
   0.27848482  0.68248805 -0.05375541
   0.00243896  0.66128837  0.91685867
   0.63218042  0.05252562  0.11758829
   0.82402733  0.20864087  0.24831693
   0.61804892  0.30187844  0.03055396
   0.87973719  0.43819682  0.35501781
   0.01987360  0.37587200  0.18519623
   0.77123316  0.42946303  0.14756603
   0.72091737  0.13056806  0.41832045
   0.47444331  0.14871743  0.43688463
   0.65085671  0.05523039  0.57521644
   0.83591785  0.18332019  0.78552435
   0.62246458  0.32725463  0.53175396
   0.86262874  0.43489514  0.87795303
   0.97255081  0.46724699  0.68916946
   0.72652372  0.42131223  0.70053982
   0.73394296  0.08203209  0.94019485
   0.47819396  0.11210902  0.95340671
   0.56012666  0.55875462  0.07790506
   0.88191317  0.69620034  0.28763711
   0.61847366  0.80071941  0.04936089
   0.87586166  0.96812020  0.32852903
   0.91044523  0.88087231  0.15327897
   0.67486313  0.83552880  0.23768979
   0.83093889  0.66053862  0.46526217
   0.56822050  0.55023795  0.39559789
   0.62076879  0.58744251  0.57837236
   0.82072559  0.68717182  0.79042439
   0.58951185  0.80350922  0.44873611
   0.90814609  0.92934016  0.84032869
   0.93289028  0.84334362  0.66352483
   0.67736923  0.89460250  0.73040388
   0.77764521  0.63128884  0.97698194
   0.52710365  0.62994247  0.89545323
   0.67800665  0.78885582  0.57180496
   0.51532421  0.81643726  0.40799506
   0.89542071  0.21046597  0.08242312
   0.92569323  0.34421618  0.36374275
   0.36471054  0.13806387  0.66071983
   0.25747273  0.76602547  0.76295558
   0.19677763  1.07161135  0.17811182
   0.22730011  1.06065547  0.00650249
   0.63183993  0.34890498  0.85603655
   0.87739304  0.47896420  0.65691357
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950878    0.244079   -0.077644
    -0.000000    9.795674    0.054283
    -0.000000    0.000000   13.944029
   Si   O    H 
    32    64    10
Direct configuration=  2002
   0.15374183  0.16749577 -0.04184066
   0.34680515  0.09691798  0.37679582
   0.13773617  0.40611903  0.10528544
   0.37873389  0.33711654  0.24226742
   0.07394836  0.16479891  0.49074645
   0.40314725  0.13626126  0.84338444
   0.11148124  0.41850169  0.63115130
   0.36243070  0.37502235  0.74500416
   0.12613467  0.68323544 -0.01396492
   0.40637478  0.58728003  0.37909303
   0.07160048  0.89825134  0.13923776
   0.33869757  0.84163742  0.24786793
   0.16299630  0.65196384  0.49550409
   0.36996130  0.62284209  0.86411112
   0.06460861  0.90804973  0.61010933
   0.34967769  0.97969411  0.68117276
   0.61734081  0.13213901  1.01103702
   0.84957398  0.12982759  0.34541256
   0.61222002  0.40723603  0.11716206
   0.88344481  0.29791957  0.16012616
   0.61332003  0.17376539  0.49407240
   0.87259266  0.08096097  0.88006659
   0.59686987  0.43614886  0.62011410
   0.75852161  0.33506465  0.80396984
   0.62445658  0.65745219 -0.00550105
   0.92311296  0.59208138  0.37736081
   0.58850047  0.89205115  0.14577676
   0.83987705  0.84687842  0.25242240
   0.66403572  0.65344133  0.46782854
   0.87094036  0.59342842  0.88329950
   0.62163247  0.91144723  0.61830209
   0.83157769  0.84200790  0.75559263
   0.10755502  0.06279039  0.15279418
   0.34149687  0.19266035  0.28178788
   0.13953767  0.31354232  0.00934098
   0.35953658  0.43946074  0.33729126
   0.53338811  0.36157433  0.21104142
   0.28338464  0.37642540  0.15912844
   0.21456008  0.10971366  0.43515283
  -0.03495163  0.20670487  0.40358981
   0.01142972  0.05070214  0.55083448
   0.47576250  0.24915996  0.77212033
   0.08148842  0.30872251  0.54038954
   0.35993666  0.46447470  0.84053620
   0.44804955  0.45572219  0.66124176
   0.21470773  0.32254812  0.69928797
   0.25922820  0.20705175 -0.13071392
   0.00437441  0.12292837  0.93870664
   0.13445644  0.56654693  0.07183059
   0.38322318  0.69070642  0.29239331
   0.09673854  0.82971076  0.03451987
   0.36458700  0.93954084  0.34384366
   0.41796902  0.89795176  0.15398105
   0.17502560  0.82945726  0.22159367
   0.31572857  0.65250467  0.46331834
   0.08054754  0.58613194  0.40144166
   0.19177217  0.54986980  0.58806865
   0.33919123  0.71333798  0.76869976
   0.10569164  0.79618906  0.52999676
   0.39547745  0.98950063  0.79591488
   0.45457862  0.89136171  0.61706540
   0.18837710  0.93028353  0.68829492
   0.28124064  0.68092520 -0.05382768
   0.00316011  0.66080346  0.91626791
   0.63217669  0.05174363  0.11917571
   0.82376167  0.20817675  0.24780056
   0.61779091  0.30115866  0.03059792
   0.87922775  0.44048827  0.35569077
   0.02043689  0.37642535  0.18468014
   0.77206088  0.42880683  0.14764169
   0.72261312  0.13016218  0.41806212
   0.47389188  0.14991062  0.43630358
   0.65068027  0.05535120  0.57539354
   0.83568775  0.18312132  0.78626423
   0.62220885  0.32564503  0.53234968
   0.86398956  0.43533336  0.87869680
   0.97166935  0.46718051  0.68746920
   0.72508191  0.41949542  0.69958922
   0.73444623  0.08514027  0.94049527
   0.47664106  0.11220989  0.95388775
   0.55976644  0.55753755  0.07719858
   0.88135426  0.69564727  0.28796467
   0.61855543  0.80051084  0.04828755
   0.87653203  0.96895708  0.32937756
   0.91223203  0.87912096  0.15297037
   0.67328651  0.83432549  0.23814620
   0.83088574  0.66080138  0.46602587
   0.56848586  0.55065589  0.39614438
   0.62083127  0.58709564  0.57815166
   0.81985474  0.68750610  0.78990357
   0.59085048  0.80297711  0.44912503
   0.90775418  0.92944149  0.83992099
   0.93308711  0.84342038  0.66309989
   0.67743610  0.89339120  0.72998929
   0.77668332  0.62978585  0.97585970
   0.52833659  0.62814922  0.89536181
   0.67938928  0.79208785  0.57904359
   0.50912258  0.81561570  0.40342299
   0.89238503  0.20820817  0.08183201
   0.93364115  0.34871845  0.36210678
   0.36180630  0.13072004  0.66415839
   0.26047364  0.76999379  0.76868477
   0.19869703  1.06557094  0.18176541
   0.22544153  1.06193332  0.00417145
   0.61894190  0.34842431  0.85483510
   0.88297841  0.48163093  0.66040647
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951077    0.244163   -0.078641
    -0.000000    9.795091    0.056253
    -0.000000    0.000000   13.943394
   Si   O    H 
    32    64    10
Direct configuration=  2003
   0.15419255  0.16718740 -0.04152924
   0.34767487  0.09718518  0.37703802
   0.13684588  0.40674628  0.10497723
   0.37913071  0.33831647  0.24251718
   0.07277071  0.16489606  0.48989568
   0.40358860  0.13598172  0.84215187
   0.11181605  0.41734994  0.63112612
   0.36430548  0.37387312  0.74512160
   0.12596906  0.68326897 -0.01293845
   0.40606108  0.58747828  0.37956892
   0.07372368  0.89934041  0.13918377
   0.33920857  0.84091155  0.24808264
   0.16216067  0.65119791  0.49542831
   0.37128548  0.62294268  0.86357239
   0.06531084  0.90805810  0.60999322
   0.35045394  0.98016851  0.68130357
   0.61824984  0.13331039  1.01214736
   0.84889484  0.13083771  0.34500607
   0.61185442  0.40890204  0.11727249
   0.88252208  0.29799422  0.16088097
   0.61456326  0.17436876  0.49467026
   0.87180901  0.08076014  0.87947633
   0.59813781  0.43524389  0.62111274
   0.75799846  0.33409790  0.80421736
   0.62363011  0.65637480 -0.00579692
   0.92205497  0.59267857  0.37726994
   0.58882847  0.89156454  0.14685484
   0.83945155  0.84722362  0.25236822
   0.66361812  0.65415721  0.46783537
   0.87023930  0.59308754  0.88457984
   0.62184381  0.91201694  0.61851515
   0.83225199  0.84213050  0.75549312
   0.10732060  0.06384583  0.15300320
   0.34287571  0.19373240  0.28150017
   0.14045933  0.31338913  0.00962399
   0.35959005  0.43876934  0.33805755
   0.53176431  0.36188857  0.21119296
   0.28393872  0.37656031  0.15776414
   0.21249662  0.10762464  0.43487529
  -0.03539270  0.20652575  0.40463810
   0.01069984  0.05198194  0.55074807
   0.47380937  0.24767932  0.77215267
   0.07884543  0.30798242  0.54081366
   0.36019541  0.46442051  0.84003014
   0.44664307  0.45516778  0.66096274
   0.21540531  0.32165162  0.69923047
   0.26049569  0.20582705 -0.12968200
   0.00455228  0.12190524  0.93837875
   0.13357534  0.56416138  0.07311925
   0.37987266  0.68928973  0.29163903
   0.09586813  0.83015583  0.03464608
   0.36539669  0.94121172  0.34397694
   0.41694583  0.89883673  0.15397748
   0.17585245  0.82901567  0.22216424
   0.31634201  0.65337747  0.46236722
   0.08150653  0.58790303  0.40105797
   0.19089104  0.54935198  0.58845961
   0.34146385  0.71408040  0.76825041
   0.10609470  0.79675091  0.53071762
   0.39605667  0.99119043  0.79574225
   0.45323738  0.89069813  0.61589872
   0.18895026  0.93122227  0.68876327
   0.28352768  0.67915689 -0.05366914
   0.00505030  0.65883542  0.91538221
   0.63212125  0.05137253  0.12027082
   0.82355662  0.20727765  0.24729358
   0.61734677  0.29998396  0.03048125
   0.87852924  0.44171964  0.35675376
   0.02072228  0.37767364  0.18428503
   0.77323359  0.42673091  0.14772440
   0.72416617  0.13079659  0.41760473
   0.47309377  0.15090237  0.43607778
   0.64993532  0.05524525  0.57517810
   0.83543887  0.18305747  0.78702037
   0.62249266  0.32465977  0.53336144
   0.86479339  0.43516396  0.87904164
   0.97184321  0.46670162  0.68614570
   0.72414867  0.41772663  0.69894511
   0.73504620  0.08782841  0.94065978
   0.47434491  0.11247543  0.95377859
   0.55937008  0.55640206  0.07618145
   0.88095283  0.69475253  0.28779887
   0.61801123  0.80062676  0.04704326
   0.87699180  0.96914528  0.33012066
   0.91499095  0.87770936  0.15254220
   0.67228160  0.83287805  0.23861721
   0.83064954  0.66121172  0.46678632
   0.56947707  0.55122349  0.39662176
   0.62076796  0.58626873  0.57777256
   0.81883816  0.68733636  0.78955797
   0.59149621  0.80268483  0.44928138
   0.90748724  0.93045003  0.83940501
   0.93370978  0.84461537  0.66257323
   0.67766307  0.89304877  0.72902873
   0.77618779  0.62890699  0.97505532
   0.52974547  0.62697769  0.89534230
   0.68444864  0.79564303  0.58418504
   0.51098094  0.81751137  0.40514879
   0.89080641  0.20301599  0.07899844
   0.94197162  0.35936793  0.36469527
   0.35860189  0.12268393  0.66590503
   0.25979055  0.77708520  0.77249746
   0.19775175  1.06201395  0.18363667
   0.22926787  1.06039955  0.00248363
   0.61209492  0.34889926  0.85272381
   0.89140329  0.48416634  0.66398725
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951071    0.244145   -0.079966
    -0.000000    9.794886    0.058189
    -0.000000    0.000000   13.943289
   Si   O    H 
    32    64    10
Direct configuration=  2004
   0.15461948  0.16760119 -0.04131321
   0.34842194  0.09748958  0.37752394
   0.13651975  0.40729784  0.10464298
   0.37970076  0.34041451  0.24286097
   0.07109086  0.16500154  0.48903321
   0.40459052  0.13515480  0.84156564
   0.11263156  0.41615541  0.63081742
   0.36625626  0.37246311  0.74523505
   0.12563011  0.68243232 -0.01138767
   0.40599443  0.58731135  0.38020213
   0.07582739  0.90038559  0.13912629
   0.33944788  0.83973092  0.24840398
   0.16092237  0.64993897  0.49549017
   0.37271325  0.62312122  0.86357046
   0.06528173  0.90822034  0.60993622
   0.35060204  0.98100001  0.68172932
   0.61841489  0.13417302  1.01340444
   0.84868763  0.13128783  0.34474308
   0.61187935  0.41057177  0.11721797
   0.88153000  0.29723344  0.16161920
   0.61554611  0.17506281  0.49522489
   0.87141682  0.08048761  0.87918250
   0.59937812  0.43498141  0.62173154
   0.75757671  0.33410707  0.80441973
   0.62178139  0.65525516 -0.00591159
   0.91996495  0.59366190  0.37714688
   0.58937096  0.89189525  0.14711208
   0.83911138  0.84683562  0.25223636
   0.66308929  0.65450231  0.46795742
   0.86955079  0.59280699  0.88591467
   0.62136266  0.91238788  0.61881485
   0.83288967  0.84249711  0.75464947
   0.10813330  0.06490202  0.15311253
   0.34422860  0.19508524  0.28106877
   0.14091474  0.31335408  0.00999826
   0.36020006  0.43868368  0.33841945
   0.53111796  0.36222846  0.21119091
   0.28382137  0.37638621  0.15635849
   0.21149580  0.10553238  0.43589500
  -0.03555750  0.20600562  0.40561572
   0.00998450  0.05305448  0.55120187
   0.47156420  0.24660300  0.77199389
   0.07610130  0.30718400  0.54187323
   0.35959817  0.46436109  0.83959764
   0.44455861  0.45440451  0.66062191
   0.21587183  0.32199813  0.69944569
   0.26102306  0.20478924 -0.12839630
   0.00350866  0.12099195  0.93762365
   0.13281597  0.56176321  0.07385955
   0.37729454  0.68817593  0.29091853
   0.09526832  0.83016748  0.03547245
   0.36673445  0.94239284  0.34354158
   0.41656580  0.89959865  0.15426718
   0.17707540  0.82885793  0.22202241
   0.31687730  0.65412103  0.46139865
   0.08201896  0.58931286  0.40114591
   0.19029133  0.54889129  0.58914242
   0.34311441  0.71490646  0.76759707
   0.10624967  0.79775089  0.53124782
   0.39727845  0.99214521  0.79494431
   0.45178697  0.89048881  0.61467497
   0.18984754  0.93256713  0.68932663
   0.28455675  0.67748425 -0.05330584
   0.00722615  0.65734162  0.91430281
   0.63213882  0.05058712  0.12141584
   0.82356092  0.20614790  0.24664043
   0.61662558  0.29880428  0.03013494
   0.87862464  0.44284340  0.35730435
   0.02055314  0.37876913  0.18348798
   0.77418759  0.42445965  0.14731021
   0.72568457  0.13193440  0.41650494
   0.47242028  0.15172608  0.43624107
   0.65032166  0.05561925  0.57466010
   0.83558647  0.18365858  0.78806070
   0.62274910  0.32397884  0.53488625
   0.86514937  0.43416422  0.87836363
   0.97423290  0.46533279  0.68500050
   0.72347703  0.41503182  0.69867979
   0.73664718  0.08969272  0.94018833
   0.47271703  0.11231201  0.95387859
   0.55869288  0.55552478  0.07521015
   0.88065642  0.69386211  0.28776571
   0.61731856  0.80123371  0.04708516
   0.87722779  0.96883927  0.33022100
   0.91779578  0.87647292  0.15220618
   0.67129555  0.83248912  0.23938617
   0.83103121  0.66225815  0.46757540
   0.56976221  0.55190435  0.39742137
   0.62155432  0.58639714  0.57747858
   0.81811964  0.68626595  0.78973320
   0.59131805  0.80289760  0.44934789
   0.90738770  0.93148529  0.83896200
   0.93494618  0.84626484  0.66242757
   0.67809754  0.89268725  0.72788208
   0.77642228  0.62778089  0.97450032
   0.53165192  0.62651895  0.89514093
   0.69019245  0.79635893  0.58581606
   0.51863538  0.81704561  0.40954766
   0.88815349  0.20055146  0.07498276
   0.94476573  0.37039537  0.36631934
   0.35539762  0.11634997  0.66115362
   0.26235617  0.77696350  0.77403337
   0.18985266  1.06118139  0.18342607
   0.23551740  1.05460987  0.00289680
   0.61484467  0.34952112  0.84816287
   0.87411745  0.49211217  0.65993142
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950922    0.243673   -0.081310
    -0.000000    9.794088    0.059896
    -0.000000    0.000000   13.943215
   Si   O    H 
    32    64    10
Direct configuration=  2005
   0.15532400  0.16763273 -0.04146437
   0.34949203  0.09785639  0.37794491
   0.13623045  0.40740465  0.10430732
   0.38056915  0.34256897  0.24334216
   0.06985982  0.16505311  0.48825332
   0.40563180  0.13450962  0.84153267
   0.11294656  0.41498605  0.63055520
   0.36752812  0.37066396  0.74521659
   0.12560074  0.68148016 -0.00995634
   0.40655891  0.58675496  0.38008851
   0.07739220  0.90164046  0.13909163
   0.33949484  0.83828501  0.24841883
   0.16052376  0.64851707  0.49593271
   0.37484009  0.62419834  0.86342479
   0.06499360  0.90832488  0.60980996
   0.35021753  0.98148030  0.68281478
   0.61842463  0.13462747  1.01440393
   0.84873433  0.13181764  0.34452344
   0.61215062  0.41160031  0.11755361
   0.88076423  0.29601289  0.16203824
   0.61602982  0.17557836  0.49587711
   0.87160670  0.08054130  0.87909687
   0.60026798  0.43431649  0.62217181
   0.75728678  0.33459308  0.80529392
   0.61983100  0.65407158 -0.00589513
   0.91804272  0.59414343  0.37712153
   0.59002029  0.89167859  0.14685351
   0.83834083  0.84678387  0.25208007
   0.66265012  0.65504309  0.46863617
   0.86876558  0.59324535  0.88684009
   0.62046941  0.91299149  0.61916911
   0.83325969  0.84284940  0.75413922
   0.10900975  0.06586583  0.15234583
   0.34549864  0.19563383  0.28080692
   0.14095645  0.31388980  0.01023374
   0.36104469  0.43881607  0.33810802
   0.53053679  0.36255990  0.21167754
   0.28407298  0.37649536  0.15507105
   0.20951149  0.10335954  0.43690687
  -0.03596367  0.20509335  0.40651505
   0.00958349  0.05283275  0.55139924
   0.46897331  0.24526685  0.77179927
   0.07377226  0.30765677  0.54281240
   0.35829255  0.46398833  0.83934818
   0.44268234  0.45357869  0.66031618
   0.21626022  0.32259682  0.69974323
   0.26141650  0.20440510 -0.12770932
   0.00315222  0.11974454  0.93714653
   0.13106442  0.56003119  0.07431124
   0.37529579  0.68825018  0.28945825
   0.09470368  0.82943659  0.03632016
   0.36794500  0.94237975  0.34307043
   0.41608146  0.90022392  0.15489974
   0.17843851  0.82923890  0.22156912
   0.31746187  0.65388367  0.46018237
   0.08194771  0.59074778  0.40115558
   0.18923275  0.54834513  0.59030102
   0.34454391  0.71589497  0.76691988
   0.10637089  0.79796335  0.53117193
   0.39864923  0.99266236  0.79530582
   0.45124282  0.89039518  0.61253368
   0.19094003  0.93392051  0.68966341
   0.28495143  0.67598002 -0.05238541
   0.00950759  0.65557699  0.91318071
   0.63262964  0.04969886  0.12194877
   0.82332144  0.20503856  0.24585063
   0.61624188  0.29776004  0.02930266
   0.87854949  0.44420424  0.35756389
   0.02102682  0.37994275  0.18247118
   0.77441669  0.42196535  0.14701840
   0.72596386  0.13388701  0.41554576
   0.47142051  0.15188731  0.43648820
   0.65051973  0.05618209  0.57411659
   0.83563978  0.18471539  0.78887891
   0.62359461  0.32337515  0.53590374
   0.86520260  0.43261818  0.87735150
   0.97605819  0.46448568  0.68370656
   0.72350709  0.41259813  0.69908623
   0.73700146  0.09111228  0.93974756
   0.47159253  0.11241685  0.95459560
   0.55860669  0.55409426  0.07468548
   0.88148592  0.69340791  0.28759127
   0.61648251  0.80147314  0.04710404
   0.87729810  0.96812409  0.33027135
   0.92005035  0.87584042  0.15233405
   0.67154460  0.83189389  0.24042696
   0.83149744  0.66282968  0.46852631
   0.57001758  0.55235160  0.39812451
   0.62255811  0.58648721  0.57707861
   0.81710284  0.68548048  0.78960115
   0.59099691  0.80310307  0.44969142
   0.90711669  0.93137257  0.83802682
   0.93678256  0.84768399  0.66268471
   0.67876439  0.89237958  0.72693687
   0.77678001  0.62752257  0.97421507
   0.53353651  0.62630175  0.89571424
   0.69838435  0.79344544  0.58454218
   0.51671520  0.81651321  0.40550159
   0.88768330  0.20066345  0.07399938
   0.94942104  0.37273420  0.37223908
   0.35100685  0.11923190  0.65308019
   0.27047292  0.77446633  0.77409777
   0.19562120  1.06596585  0.18811144
   0.24184786  1.05269973  0.00402684
   0.62652510  0.34954424  0.84647014
   0.87200074  0.49573176  0.65783748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950695    0.243617   -0.082337
    -0.000000    9.793331    0.061235
    -0.000000    0.000000   13.943051
   Si   O    H 
    32    64    10
Direct configuration=  2006
   0.15664355  0.16726929 -0.04152060
   0.34981706  0.09842719  0.37809287
   0.13618436  0.40718105  0.10390284
   0.38115360  0.34471756  0.24448203
   0.06954818  0.16510241  0.48753611
   0.40624475  0.13401805  0.84243209
   0.11291129  0.41330800  0.63061379
   0.36880484  0.36934825  0.74521819
   0.12627890  0.68023623 -0.00863204
   0.40685654  0.58593962  0.37980799
   0.07892994  0.90256165  0.13932239
   0.33904212  0.83708775  0.24864399
   0.16027397  0.64684820  0.49641995
   0.37677655  0.62431371  0.86320940
   0.06465630  0.90844801  0.60993746
   0.34957975  0.98194634  0.68351229
   0.61828858  0.13522182  1.01486200
   0.84910507  0.13174760  0.34445667
   0.61281545  0.41248032  0.11764204
   0.88007179  0.29512790  0.16203397
   0.61655485  0.17615732  0.49625198
   0.87207199  0.08055098  0.87881054
   0.60080870  0.43381179  0.62251368
   0.75709235  0.33525898  0.80596788
   0.61824369  0.65304186 -0.00591169
   0.91611135  0.59419208  0.37689778
   0.59029042  0.89138415  0.14616220
   0.83811097  0.84694413  0.25230026
   0.66175481  0.65500395  0.46909953
   0.86792988  0.59441245  0.88731735
   0.61950104  0.91272863  0.61964569
   0.83363403  0.84249246  0.75343207
   0.10981157  0.06666713  0.15147576
   0.34664816  0.19552200  0.28087189
   0.14084516  0.31420956  0.01074205
   0.36173836  0.43858028  0.33777497
   0.53033980  0.36341133  0.21180482
   0.28418799  0.37566843  0.15389314
   0.20684681  0.10177308  0.43821101
  -0.03573393  0.20559507  0.40716226
   0.00911528  0.05157834  0.55203580
   0.46735711  0.24350530  0.77138107
   0.07233367  0.30839329  0.54410180
   0.35645425  0.46326678  0.83941484
   0.44188676  0.45346676  0.65962879
   0.21578754  0.32368364  0.70046405
   0.26151533  0.20400774 -0.12758474
   0.00320879  0.11822693  0.93674839
   0.12965356  0.55918578  0.07411407
   0.37429832  0.68809185  0.28823878
   0.09530681  0.82945252  0.03686892
   0.36873524  0.94225402  0.34238624
   0.41583902  0.90066558  0.15570655
   0.17932405  0.82977936  0.22106746
   0.31777823  0.65376510  0.45974412
   0.08142760  0.59173979  0.40140635
   0.18750797  0.54870626  0.59137509
   0.34610143  0.71605871  0.76630829
   0.10679899  0.79779498  0.53088717
   0.39957717  0.99244085  0.79520528
   0.45111108  0.89095434  0.61046691
   0.19127711  0.93515532  0.68926418
   0.28467900  0.67523594 -0.05193915
   0.01175140  0.65339438  0.91150402
   0.63375177  0.04808120  0.12261467
   0.82336433  0.20346678  0.24549404
   0.61582561  0.29709995  0.02893346
   0.87845912  0.44536939  0.35804849
   0.02070879  0.38027837  0.18167360
   0.77464612  0.41976667  0.14641806
   0.72562110  0.13624492  0.41421223
   0.47151022  0.15145745  0.43751543
   0.65031085  0.05819861  0.57426250
   0.83561913  0.18612256  0.78941748
   0.62384859  0.32365380  0.53721714
   0.86495222  0.43046193  0.87588702
   0.97774149  0.46407437  0.68239716
   0.72334359  0.40975341  0.69954092
   0.73673756  0.09270502  0.93948041
   0.47072576  0.11287036  0.95528326
   0.55764622  0.55231387  0.07457089
   0.88266355  0.69258368  0.28760749
   0.61566871  0.80235869  0.04752853
   0.87851713  0.96710892  0.33054001
   0.92054931  0.87565623  0.15240330
   0.67175927  0.83084277  0.24146693
   0.83104449  0.66321110  0.46949552
   0.57062996  0.55255787  0.39849090
   0.62385417  0.58691369  0.57614885
   0.81647616  0.68478276  0.78974315
   0.59072078  0.80354539  0.44967892
   0.90681767  0.93159265  0.83677792
   0.93804598  0.84907165  0.66325636
   0.67867347  0.89209511  0.72643764
   0.77645203  0.62712354  0.97423754
   0.53582761  0.62608515  0.89619723
   0.70519830  0.79367287  0.58203169
   0.51344192  0.81566529  0.40132563
   0.88962903  0.20297751  0.07681463
   0.94950522  0.37441639  0.37916703
   0.34820200  0.12507196  0.63904105
   0.27026335  0.77808118  0.77348893
   0.19521443  1.07243773  0.18784786
   0.24584512  1.05282198  0.00610210
   0.63692597  0.34899520  0.84758456
   0.88699704  0.49231415  0.65663289
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950204    0.243934   -0.083762
    -0.000000    9.792405    0.062305
    -0.000000    0.000000   13.942969
   Si   O    H 
    32    64    10
Direct configuration=  2007
   0.15880207  0.16662532 -0.04171145
   0.34985975  0.09879700  0.37845569
   0.13667010  0.40679463  0.10377669
   0.38137748  0.34636926  0.24531688
   0.06905915  0.16583064  0.48674214
   0.40724360  0.13344011  0.84377516
   0.11345941  0.41155570  0.63065836
   0.36980109  0.36865201  0.74480959
   0.12722781  0.67972990 -0.00711231
   0.40733110  0.58552988  0.37941169
   0.08021448  0.90368356  0.13945586
   0.33860476  0.83619690  0.24886213
   0.16058517  0.64624686  0.49745659
   0.37820152  0.62448467  0.86295620
   0.06438850  0.90849616  0.61006624
   0.34863159  0.98159402  0.68420535
   0.61785757  0.13548909  1.01508366
   0.84984163  0.13128898  0.34484501
   0.61367563  0.41342390  0.11831735
   0.87930958  0.29455468  0.16173180
   0.61709875  0.17621282  0.49585787
   0.87194188  0.07982660  0.87844824
   0.60072682  0.43370837  0.62299909
   0.75771295  0.33600062  0.80618629
   0.61717626  0.65221457 -0.00582501
   0.91479845  0.59489677  0.37635346
   0.59033169  0.89155736  0.14524763
   0.83792400  0.84732308  0.25295437
   0.66108309  0.65503020  0.46987902
   0.86824333  0.59531861  0.88718696
   0.61839323  0.91238392  0.61981810
   0.83435239  0.84178496  0.75273944
   0.11150531  0.06742369  0.15044271
   0.34767751  0.19433622  0.28074902
   0.14034565  0.31415212  0.01100484
   0.36206096  0.43873794  0.33823638
   0.53034038  0.36390293  0.21235605
   0.28503222  0.37487036  0.15274466
   0.20456272  0.10120591  0.43941946
  -0.03532904  0.20595328  0.40776934
   0.00846238  0.04902569  0.55303739
   0.46622672  0.24241181  0.77088744
   0.07102558  0.30913972  0.54524843
   0.35452550  0.46276846  0.83953749
   0.44133776  0.45254367  0.65875651
   0.21594741  0.32500146  0.70118256
   0.26071665  0.20372994 -0.12703135
   0.00462137  0.11637379  0.93623110
   0.12795005  0.55988956  0.07344115
   0.37378548  0.68837170  0.28713252
   0.09612072  0.82886976  0.03710390
   0.36958194  0.94164093  0.34154484
   0.41556676  0.90112612  0.15682927
   0.17973871  0.83016304  0.22059684
   0.31797027  0.65416323  0.45904561
   0.08090774  0.59225377  0.40214577
   0.18563991  0.54859520  0.59228747
   0.34739559  0.71676251  0.76608930
   0.10725153  0.79721918  0.53047055
   0.40069552  0.99082387  0.79420209
   0.44991381  0.89156656  0.60872422
   0.19135298  0.93498678  0.68860089
   0.28382405  0.67472599 -0.05171037
   0.01334919  0.65206600  0.91007148
   0.63393458  0.04678977  0.12326015
   0.82309431  0.20194867  0.24503879
   0.61443066  0.29602419  0.02923426
   0.87820710  0.44542400  0.35839517
   0.02028789  0.37990135  0.18077592
   0.77542380  0.41798070  0.14575231
   0.72571765  0.13877812  0.41232434
   0.47215098  0.15093727  0.43848899
   0.64981876  0.05856004  0.57524078
   0.83526290  0.18679834  0.78989745
   0.62402401  0.32416395  0.53800805
   0.86426357  0.42785253  0.87421408
   0.97883974  0.46400148  0.68095756
   0.72363091  0.40642206  0.69934376
   0.73690412  0.09371483  0.93948422
   0.47066797  0.11294105  0.95579883
   0.55647679  0.55126981  0.07500840
   0.88397451  0.69245923  0.28783712
   0.61573611  0.80364777  0.04808888
   0.87970482  0.96643245  0.33061755
   0.92040512  0.87645240  0.15275900
   0.67241485  0.83089592  0.24244709
   0.82980484  0.66308028  0.46988249
   0.57146588  0.55235543  0.39939092
   0.62618806  0.58745794  0.57540939
   0.81573301  0.68440884  0.79016343
   0.59003587  0.80450451  0.44923931
   0.90642469  0.93132472  0.83516513
   0.93918793  0.84970228  0.66417731
   0.67855754  0.89246241  0.72621875
   0.77551105  0.62687839  0.97403013
   0.53799935  0.62625153  0.89715157
   0.71324695  0.79586067  0.57913907
   0.51779404  0.81318256  0.40218252
   0.88882249  0.20847327  0.07949513
   0.94454092  0.37843836  0.38557716
   0.34565097  0.12553099  0.62612292
   0.26424095  0.78623210  0.77159345
   0.19037951  1.07847860  0.18679772
   0.24550843  1.05686521  0.00893851
   0.63573412  0.34914903  0.85410044
   0.90760843  0.48810724  0.65629702
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949500    0.243770   -0.085110
    -0.000000    9.791533    0.063806
    -0.000000    0.000000   13.942732
   Si   O    H 
    32    64    10
Direct configuration=  2008
   0.16091205  0.16562235 -0.04162646
   0.34964810  0.09990879  0.37834447
   0.13752391  0.40604627  0.10387905
   0.38135997  0.34743515  0.24629183
   0.06948234  0.16616784  0.48619979
   0.40807834  0.13293419  0.84526796
   0.11397629  0.40992180  0.63110252
   0.37056694  0.36813777  0.74428897
   0.12793140  0.67933765 -0.00530701
   0.40762997  0.58446666  0.37876132
   0.08169925  0.90434712  0.13957968
   0.33836621  0.83573321  0.24909580
   0.16102215  0.64602641  0.49858675
   0.37936854  0.62484312  0.86264064
   0.06406075  0.90920897  0.61034002
   0.34819210  0.98142126  0.68442235
   0.61764937  0.13618479  1.01521341
   0.85061646  0.13121077  0.34565204
   0.61441525  0.41392043  0.11915104
   0.87842777  0.29405257  0.16147620
   0.61728437  0.17596284  0.49517065
   0.87192388  0.07970441  0.87791966
   0.60052086  0.43366201  0.62306302
   0.75785811  0.33777934  0.80627482
   0.61677029  0.65181187 -0.00533123
   0.91404997  0.59543534  0.37600503
   0.59004191  0.89133171  0.14464126
   0.83814508  0.84769354  0.25353414
   0.65999693  0.65506295  0.47051401
   0.86852868  0.59649003  0.88692557
   0.61701760  0.91189735  0.62006464
   0.83490083  0.84123369  0.75257274
   0.11220996  0.06784978  0.14888979
   0.34813235  0.19288538  0.28033430
   0.14021155  0.31293282  0.01136069
   0.36255877  0.43895867  0.33896538
   0.53136065  0.36403286  0.21274307
   0.28592009  0.37434111  0.15178304
   0.20300148  0.10091489  0.44008155
  -0.03536443  0.20663468  0.40829720
   0.00763699  0.04633263  0.55369538
   0.46556071  0.24084976  0.77108399
   0.07051214  0.30978450  0.54600631
   0.35237722  0.46185016  0.83954480
   0.44163438  0.45185113  0.65874210
   0.21625724  0.32663830  0.70193349
   0.25915907  0.20272584 -0.12695141
   0.00609201  0.11454958  0.93571218
   0.12566888  0.56139890  0.07272401
   0.37326851  0.68771730  0.28601731
   0.09726690  0.82811975  0.03685293
   0.37038881  0.94158261  0.34054945
   0.41583605  0.90136528  0.15824802
   0.18033473  0.83086322  0.22038316
   0.31811140  0.65538217  0.45887597
   0.08053510  0.59243823  0.40306151
   0.18326134  0.54880529  0.59275371
   0.34752116  0.71770939  0.76644526
   0.10793963  0.79635374  0.52979914
   0.40052769  0.98931060  0.79325305
   0.44814662  0.89321917  0.60767979
   0.19100258  0.93430562  0.68763264
   0.28274950  0.67441328 -0.05129206
   0.01496720  0.65088793  0.90869935
   0.63452418  0.04649475  0.12336002
   0.82231524  0.20034022  0.24427176
   0.61294326  0.29552563  0.02949128
   0.87884064  0.44433717  0.35868120
   0.01970442  0.37886464  0.17992228
   0.77646982  0.41658210  0.14497346
   0.72539966  0.14072641  0.41113926
   0.47192482  0.15074245  0.44023130
   0.64961041  0.05828286  0.57561121
   0.83541036  0.18813448  0.79090141
   0.62451318  0.32460448  0.53825629
   0.86412926  0.42628539  0.87257304
   0.98187361  0.46281641  0.68047690
   0.72382912  0.40344137  0.69923779
   0.73733522  0.09511199  0.93911851
   0.47071934  0.11285395  0.95616855
   0.55560054  0.55020026  0.07504666
   0.88506304  0.69306282  0.28788401
   0.61594576  0.80501522  0.04853980
   0.88130925  0.96614761  0.33024739
   0.92081632  0.87630380  0.15338700
   0.67285710  0.83198926  0.24255752
   0.82917110  0.66310153  0.46999383
   0.57220810  0.55252327  0.40094300
   0.62914482  0.58722581  0.57525578
   0.81526916  0.68446577  0.79035746
   0.59039730  0.80487770  0.44879232
   0.90620768  0.93127335  0.83320669
   0.94027034  0.85090440  0.66542807
   0.67871993  0.89354348  0.72600926
   0.77395669  0.62731287  0.97423335
   0.53965469  0.62647809  0.89813035
   0.71561470  0.80512023  0.57541085
   0.51975623  0.81259594  0.40332303
   0.89009135  0.21252607  0.08059112
   0.93679222  0.38028442  0.38993341
   0.34301344  0.12011675  0.61865282
   0.26766222  0.78524320  0.76865462
   0.19103409  1.08575611  0.18781020
   0.24114994  1.06260680  0.01200927
   0.63110479  0.34694842  0.86418833
   0.88819047  0.49507359  0.64371321
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948977    0.243415   -0.086881
    -0.000000    9.790327    0.065133
    -0.000000    0.000000   13.942965
   Si   O    H 
    32    64    10
Direct configuration=  2009
   0.16266913  0.16449398 -0.04153529
   0.34882701  0.10074996  0.37829897
   0.13886982  0.40518906  0.10385055
   0.38129265  0.34825122  0.24727716
   0.07009572  0.16598468  0.48615292
   0.40919795  0.13205517  0.84714571
   0.11480601  0.40804071  0.63125232
   0.37060234  0.36805891  0.74363833
   0.12880170  0.67951703 -0.00397885
   0.40780048  0.58324168  0.37823602
   0.08362771  0.90514679  0.13974261
   0.33780936  0.83623200  0.24937678
   0.16139898  0.64586240  0.50002957
   0.38041750  0.62548870  0.86208476
   0.06389243  0.91016749  0.61031466
   0.34767706  0.98142429  0.68438084
   0.61755092  0.13637142  1.01498734
   0.85132904  0.13191332  0.34657715
   0.61532711  0.41341653  0.12030959
   0.87767004  0.29373995  0.16145039
   0.61742020  0.17606218  0.49434134
   0.87173441  0.07971765  0.87726651
   0.60035782  0.43383203  0.62309696
   0.75746416  0.33960680  0.80653902
   0.61599488  0.65183850 -0.00459624
   0.91304389  0.59637672  0.37576636
   0.58937351  0.89131168  0.14352637
   0.83855338  0.84780352  0.25449491
   0.65910332  0.65490910  0.47107167
   0.86875668  0.59792611  0.88686519
   0.61542122  0.91122598  0.61990850
   0.83573245  0.84102906  0.75213469
   0.11281351  0.06891333  0.14775072
   0.34848608  0.19164874  0.27987997
   0.14019502  0.31252514  0.01188366
   0.36272246  0.43916091  0.33992202
   0.53326990  0.36337439  0.21316541
   0.28714536  0.37381674  0.15066136
   0.20178763  0.10124856  0.44035078
  -0.03576295  0.20672446  0.40860352
   0.00741246  0.04380849  0.55396253
   0.46411730  0.23979680  0.77119699
   0.07009340  0.31078366  0.54722196
   0.35142823  0.46155570  0.83958960
   0.44197020  0.45131469  0.65889635
   0.21662003  0.32821907  0.70324200
   0.25824565  0.20192192 -0.12753618
   0.00761948  0.11330892  0.93567780
   0.12226262  0.56291111  0.07208392
   0.37274145  0.68673504  0.28530076
   0.09885176  0.82703902  0.03650889
   0.37115490  0.94193557  0.33943382
   0.41624229  0.90158185  0.15923396
   0.18036610  0.83183834  0.21934708
   0.31832779  0.65635677  0.45831383
   0.08057048  0.59336947  0.40363991
   0.18129821  0.54931028  0.59241977
   0.34797633  0.71873074  0.76725642
   0.10859022  0.79594647  0.52964962
   0.40065042  0.98723945  0.79252799
   0.44657818  0.89433755  0.60684524
   0.19040936  0.93349050  0.68668934
   0.28157438  0.67429749 -0.05089303
   0.01753716  0.64998145  0.90787602
   0.63515305  0.04708247  0.12300899
   0.82171957  0.19844938  0.24394292
   0.61175826  0.29484245  0.02967327
   0.87967130  0.44372481  0.35881121
   0.01835381  0.37721527  0.17844075
   0.77686607  0.41594153  0.14392970
   0.72458037  0.14236743  0.41006899
   0.47169093  0.15079769  0.44222200
   0.64897443  0.05850523  0.57517610
   0.83453876  0.18888305  0.79162469
   0.62417580  0.32532508  0.53793651
   0.86457816  0.42535897  0.87056568
   0.98279285  0.46271945  0.68015867
   0.72392983  0.40036651  0.69894529
   0.73724284  0.09673537  0.93916118
   0.47107934  0.11263601  0.95661298
   0.55494068  0.54909752  0.07507410
   0.88611834  0.69348899  0.28832976
   0.61614908  0.80694056  0.04899889
   0.88342402  0.96522825  0.32978244
   0.92082744  0.87634328  0.15453969
   0.67326380  0.83305265  0.24286936
   0.82812960  0.66352024  0.47006479
   0.57255151  0.55250524  0.40274080
   0.63155535  0.58621993  0.57547150
   0.81493071  0.68453601  0.79161066
   0.59171596  0.80506553  0.44851463
   0.90507228  0.93215052  0.83220351
   0.94082248  0.85159563  0.66642428
   0.67975313  0.89532713  0.72642084
   0.77220014  0.62782311  0.97466391
   0.54085698  0.62584353  0.89780027
   0.71221613  0.82049357  0.57509401
   0.51717850  0.81605973  0.40132431
   0.89281574  0.21362629  0.07935011
   0.93347471  0.37544136  0.39398555
   0.33905858  0.10840002  0.61461007
   0.27318900  0.77743891  0.76550661
   0.19807315  1.09285999  0.18979641
   0.23671501  1.06719755  0.01267990
   0.62747865  0.34626544  0.87561009
   0.88409770  0.49568827  0.63882687
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947971    0.243313   -0.088587
    -0.000000    9.789593    0.066912
    -0.000000    0.000000   13.943127
   Si   O    H 
    32    64    10
Direct configuration=  2010
   0.16415214  0.16378173 -0.04154077
   0.34805546  0.10079581  0.37856424
   0.14022912  0.40387812  0.10362351
   0.38178329  0.34863814  0.24795574
   0.07063350  0.16609687  0.48671133
   0.40932265  0.13170434  0.84981257
   0.11572102  0.40635830  0.63141858
   0.36997967  0.36822091  0.74330092
   0.12942707  0.68028949 -0.00268516
   0.40806479  0.58256471  0.37787997
   0.08476144  0.90527470  0.13972474
   0.33687843  0.83717210  0.24989738
   0.16159822  0.64549179  0.50091736
   0.38156570  0.62568507  0.86155225
   0.06397223  0.91046987  0.61036730
   0.34738402  0.98061326  0.68409676
   0.61746028  0.13671649  1.01458289
   0.85207169  0.13156203  0.34755590
   0.61666742  0.41269534  0.12119009
   0.87769982  0.29334072  0.16125296
   0.61734100  0.17627850  0.49346677
   0.87151443  0.08011592  0.87715480
   0.60013680  0.43410671  0.62280205
   0.75651712  0.34121279  0.80718701
   0.61551248  0.65207671 -0.00378460
   0.91290513  0.59731930  0.37534839
   0.58889807  0.89175342  0.14348971
   0.83837556  0.84740614  0.25530632
   0.65836243  0.65506876  0.47148797
   0.86906711  0.59906223  0.88664614
   0.61407831  0.91007852  0.61954286
   0.83580550  0.84100432  0.75191682
   0.11347149  0.07023540  0.14743385
   0.34857513  0.18991428  0.27993987
   0.13931797  0.31158850  0.01260708
   0.36223935  0.43887608  0.34056629
   0.53501166  0.36242986  0.21324869
   0.28797201  0.37301253  0.14984213
   0.20088010  0.10154011  0.44008586
  -0.03637915  0.20657631  0.40845997
   0.00733658  0.04154503  0.55465281
   0.46309160  0.23808109  0.77114163
   0.06981469  0.31205896  0.54748969
   0.35002527  0.46172353  0.83963864
   0.44329969  0.45052200  0.65889794
   0.21722775  0.32912917  0.70459012
   0.25770716  0.20055082 -0.12810704
   0.00934446  0.11206197  0.93598948
   0.11865909  0.56448087  0.07182051
   0.37228320  0.68546286  0.28430718
   0.10020336  0.82709423  0.03620469
   0.37124263  0.94200024  0.33801995
   0.41749405  0.90177763  0.15992560
   0.18105390  0.83173268  0.21815256
   0.31748066  0.65649389  0.45858549
   0.08068807  0.59352247  0.40436457
   0.17978976  0.54937947  0.59192895
   0.34856656  0.71865444  0.76863213
   0.10933954  0.79593100  0.52995368
   0.40121334  0.98514212  0.79205866
   0.44540247  0.89468559  0.60656460
   0.18914244  0.93336474  0.68608254
   0.27979694  0.67429206 -0.05059766
   0.02105354  0.64948740  0.90759476
   0.63503407  0.04798249  0.12204473
   0.82128412  0.19670775  0.24351845
   0.61105340  0.29508074  0.03048560
   0.88043875  0.44277889  0.35873383
   0.01694854  0.37529251  0.17760238
   0.77663038  0.41629868  0.14291252
   0.72272600  0.14350306  0.40927960
   0.47145726  0.15139301  0.44480532
   0.64752424  0.05941063  0.57455521
   0.83411027  0.18962271  0.79256314
   0.62374911  0.32600306  0.53784220
   0.86430829  0.42639204  0.86915558
   0.98301419  0.46299068  0.67999173
   0.72299157  0.39750807  0.69902158
   0.73753972  0.09777244  0.94002740
   0.47104976  0.11220018  0.95675599
   0.55471978  0.54780465  0.07555673
   0.88671952  0.69422118  0.28829836
   0.61576086  0.80808332  0.04887377
   0.88410740  0.96468601  0.32929340
   0.92062466  0.87619254  0.15573832
   0.67280007  0.83418525  0.24257075
   0.82694767  0.66460779  0.46939774
   0.57247902  0.55199277  0.40372450
   0.63346264  0.58454954  0.57531424
   0.81536484  0.68487309  0.79235019
   0.59319306  0.80558183  0.44810960
   0.90386661  0.93334106  0.83138212
   0.94024352  0.85260609  0.66748398
   0.68031496  0.89672873  0.72706937
   0.77069837  0.62872513  0.97547684
   0.54153426  0.62599340  0.89708286
   0.71195039  0.83213216  0.57275678
   0.51489037  0.81952416  0.39899152
   0.89736050  0.21234812  0.07651290
   0.93272517  0.36952726  0.39925138
   0.33602988  0.09546183  0.61722346
   0.26647988  0.77727647  0.76459407
   0.19461759  1.09876738  0.18755064
   0.23123925  1.06757937  0.01557833
   0.63032777  0.34700987  0.88143971
   0.89466439  0.49233887  0.64047748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947247    0.243403   -0.090695
    -0.000000    9.789310    0.068577
    -0.000000    0.000000   13.943573
   Si   O    H 
    32    64    10
Direct configuration=  2011
   0.16476428  0.16340122 -0.04125099
   0.34774406  0.10095576  0.37879465
   0.14122679  0.40301226  0.10351939
   0.38202544  0.34887262  0.24811233
   0.07096675  0.16542297  0.48730034
   0.40932560  0.13135486  0.85258389
   0.11684892  0.40545783  0.63150020
   0.36865720  0.36857495  0.74347037
   0.13042329  0.68108665 -0.00199369
   0.40833083  0.58199985  0.37768462
   0.08546040  0.90586824  0.13994351
   0.33628883  0.83843419  0.25036990
   0.16225806  0.64560639  0.50121918
   0.38259108  0.62572638  0.86091751
   0.06425003  0.91051907  0.61009678
   0.34689402  0.97992547  0.68316209
   0.61784489  0.13675626  1.01401728
   0.85247525  0.13063565  0.34878786
   0.61743755  0.41168756  0.12148145
   0.87868687  0.29352857  0.16060172
   0.61715310  0.17601751  0.49238296
   0.87147414  0.08075392  0.87697762
   0.59991780  0.43482453  0.62277634
   0.75523953  0.34300508  0.80790839
   0.61470513  0.65244022 -0.00237213
   0.91315474  0.59814602  0.37541510
   0.58853744  0.89218563  0.14397814
   0.83834615  0.84673260  0.25603648
   0.65766045  0.65467106  0.47226795
   0.86966889  0.59989747  0.88657467
   0.61255764  0.90903153  0.61887434
   0.83604149  0.84103039  0.75126104
   0.11395984  0.07133296  0.14746531
   0.34908883  0.18910409  0.27994844
   0.13806812  0.31007773  0.01342006
   0.36125665  0.43869377  0.34141064
   0.53709934  0.36108162  0.21349804
   0.28829701  0.37317398  0.14987622
   0.20036659  0.10321849  0.43972005
  -0.03726900  0.20724876  0.40820140
   0.00675644  0.03992586  0.55521072
   0.46145356  0.23750089  0.77039424
   0.07056874  0.31166374  0.54740704
   0.34877568  0.46243214  0.83930601
   0.44427531  0.45023007  0.65866586
   0.21874666  0.32999909  0.70656677
   0.25719237  0.19828197 -0.12875315
   0.01071589  0.11075022  0.93640755
   0.11565865  0.56457100  0.07219143
   0.37222420  0.68403144  0.28301852
   0.10155247  0.82769205  0.03555731
   0.37149291  0.94301458  0.33634352
   0.41882595  0.90161713  0.15973650
   0.18203318  0.83158076  0.21747674
   0.31675739  0.65573538  0.45880097
   0.08045262  0.59408921  0.40507371
   0.17834157  0.54936552  0.59171701
   0.34973005  0.71812981  0.76958078
   0.11029109  0.79540239  0.53040369
   0.40126241  0.98320884  0.79219065
   0.44450268  0.89434048  0.60595449
   0.18764884  0.93359942  0.68563605
   0.27820741  0.67474006 -0.05001735
   0.02392604  0.64929851  0.90741617
   0.63440790  0.04951069  0.12054673
   0.82067277  0.19559864  0.24292401
   0.61095777  0.29590969  0.03214344
   0.88122127  0.44115445  0.35858548
   0.01588287  0.37350433  0.17673979
   0.77610728  0.41713971  0.14200901
   0.71980081  0.14437763  0.40826782
   0.47053777  0.15132328  0.44730773
   0.64635298  0.05992833  0.57433571
   0.83365125  0.19081029  0.79370332
   0.62262581  0.32684180  0.53764070
   0.86488738  0.42726396  0.86716981
   0.98198221  0.46397630  0.67911566
   0.72228159  0.39445062  0.69858308
   0.73815509  0.09792876  0.94132749
   0.47114484  0.11200819  0.95688379
   0.55430020  0.54706979  0.07599676
   0.88725230  0.69560660  0.28847256
   0.61528313  0.80817694  0.04843651
   0.88496402  0.96423074  0.32947199
   0.92076235  0.87673200  0.15687524
   0.67176434  0.83538077  0.24243306
   0.82587540  0.66495500  0.46864023
   0.57191235  0.55176357  0.40454345
   0.63430445  0.58343363  0.57582226
   0.81591760  0.68518066  0.79318711
   0.59397057  0.80647207  0.44748973
   0.90231098  0.93437473  0.83069983
   0.93917504  0.85281726  0.66792748
   0.68106850  0.89790643  0.72787580
   0.76966674  0.62969182  0.97594211
   0.54144182  0.62649722  0.89588552
   0.71247856  0.83595756  0.56953999
   0.51889720  0.81938085  0.40364629
   0.90015828  0.20982863  0.07191113
   0.93283918  0.36726095  0.40319744
   0.33389685  0.08924663  0.62343616
   0.26349374  0.77726920  0.76533450
   0.18413780  1.09971626  0.18317282
   0.22940059  1.06102851  0.02273780
   0.63675767  0.34836199  0.88158181
   0.91660825  0.48667300  0.64666035
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946330    0.243010   -0.092537
    -0.000000    9.789098    0.070023
    -0.000000    0.000000   13.944225
   Si   O    H 
    32    64    10
Direct configuration=  2012
   0.16492238  0.16309388 -0.04038707
   0.34760232  0.10128916  0.37910373
   0.14163131  0.40191595  0.10348043
   0.38203845  0.34887733  0.24798732
   0.07110826  0.16413351  0.48858806
   0.40993229  0.13140871  0.85504592
   0.11799588  0.40503189  0.63165822
   0.36756804  0.36926187  0.74406781
   0.13146168  0.68150297 -0.00197073
   0.40922685  0.58153299  0.37752688
   0.08640041  0.90671664  0.14014546
   0.33591731  0.83985634  0.25104762
   0.16261191  0.64605562  0.50105124
   0.38322103  0.62533300  0.86064226
   0.06423815  0.91048491  0.60961590
   0.34634967  0.97877853  0.68203441
   0.61765965  0.13585123  1.01318228
   0.85266205  0.12968180  0.34952921
   0.61802599  0.41058749  0.12150647
   0.87933557  0.29341790  0.15979455
   0.61732194  0.17661845  0.49149668
   0.87206732  0.08126786  0.87655129
   0.59979463  0.43587526  0.62291777
   0.75472900  0.34446836  0.80908175
   0.61374846  0.65340665 -0.00068098
   0.91361763  0.59841957  0.37563495
   0.58842021  0.89272385  0.14502353
   0.83834315  0.84542230  0.25660890
   0.65725764  0.65432328  0.47323192
   0.87062519  0.60043237  0.88635980
   0.61139141  0.90812018  0.61811272
   0.83596719  0.84097000  0.75119369
   0.11349631  0.07213825  0.14661711
   0.34930443  0.18804341  0.27969893
   0.13631541  0.30810340  0.01388602
   0.36034259  0.43797298  0.34216314
   0.53904553  0.35971479  0.21428059
   0.28893143  0.37321422  0.15017019
   0.20130707  0.10451533  0.43893064
  -0.03662735  0.20694681  0.40772691
   0.00675729  0.03911126  0.55557747
   0.46011340  0.23610702  0.76984410
   0.07180042  0.31078048  0.54691355
   0.34853769  0.46306712  0.83803295
   0.44506663  0.45015752  0.65831181
   0.22037958  0.33080342  0.70801545
   0.25680955  0.19651794 -0.13015779
   0.01231563  0.10947339  0.93690114
   0.11251367  0.56436587  0.07234890
   0.37240062  0.68282956  0.28217137
   0.10190519  0.82941926  0.03550332
   0.37126222  0.94310354  0.33448168
   0.42006053  0.90177673  0.15951443
   0.18247281  0.83134337  0.21668062
   0.31616171  0.65499568  0.45910606
   0.08070967  0.59526025  0.40540699
   0.17746842  0.54873565  0.59147183
   0.35034204  0.71803962  0.76980235
   0.11222408  0.79505617  0.53117572
   0.40171897  0.98196995  0.79272722
   0.44349380  0.89392590  0.60605511
   0.18751938  0.93347103  0.68543653
   0.27775617  0.67559137 -0.04966136
   0.02611085  0.64944906  0.90699795
   0.63408833  0.05124689  0.11959841
   0.81898815  0.19413437  0.24237589
   0.61061105  0.29659005  0.03371702
   0.88192069  0.43863872  0.35891964
   0.01507040  0.37227382  0.17609883
   0.77532669  0.41828589  0.14148023
   0.71667142  0.14479811  0.40700363
   0.46925386  0.15207916  0.44926531
   0.64631585  0.06089297  0.57451257
   0.83362396  0.19209096  0.79540710
   0.62154776  0.32728229  0.53754719
   0.86533871  0.42831707  0.86580491
   0.98359213  0.46489457  0.67907315
   0.72135069  0.39208474  0.69777324
   0.73764656  0.09782082  0.94279017
   0.47096306  0.11170121  0.95763415
   0.55382203  0.54658004  0.07701575
   0.88730422  0.69651211  0.28821326
   0.61512028  0.80883869  0.04828335
   0.88521822  0.96385318  0.32955976
   0.92116771  0.87692216  0.15816645
   0.67088752  0.83751581  0.24200078
   0.82454783  0.66593967  0.46772536
   0.57102494  0.55168290  0.40545652
   0.63480354  0.58183889  0.57748546
   0.81628165  0.68539039  0.79345295
   0.59498636  0.80717944  0.44720533
   0.90162067  0.93537212  0.83069669
   0.93800948  0.85176712  0.66787566
   0.68178047  0.89900827  0.72857753
   0.76866046  0.62996362  0.97685913
   0.54141472  0.62747412  0.89476311
   0.71345224  0.83436778  0.56360665
   0.52258446  0.82069975  0.40699020
   0.90185527  0.20992449  0.07088476
   0.93122584  0.36905212  0.40142122
   0.33245337  0.09372120  0.62562027
   0.26905582  0.77074896  0.76848292
   0.18998935  1.10491158  0.18389323
   0.22906303  1.05614137  0.02613415
   0.64444028  0.34911229  0.87595581
   0.90030655  0.49456340  0.63485529
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945450    0.242783   -0.094670
    -0.000000    9.788972    0.071553
    -0.000000    0.000000   13.944768
   Si   O    H 
    32    64    10
Direct configuration=  2013
   0.16508604  0.16287246 -0.03923770
   0.34742687  0.10172522  0.37932996
   0.14205396  0.40168133  0.10344880
   0.38260604  0.34876080  0.24776783
   0.07131200  0.16321548  0.48984288
   0.41020493  0.13164784  0.85712152
   0.11882858  0.40462535  0.63203600
   0.36668317  0.37047945  0.74471822
   0.13196269  0.68236526 -0.00244098
   0.40961153  0.58106276  0.37743429
   0.08709815  0.90764549  0.14036144
   0.33563511  0.84164887  0.25201412
   0.16301101  0.64686796  0.50044935
   0.38319611  0.62503076  0.86084263
   0.06440629  0.91019298  0.60932324
   0.34612653  0.97740682  0.68075119
   0.61753219  0.13491382  1.01281866
   0.85254761  0.12865782  0.34978333
   0.61866376  0.40892388  0.12174714
   0.87958731  0.29338313  0.15889581
   0.61718192  0.17684016  0.49070483
   0.87334504  0.08219560  0.87624004
   0.60004165  0.43662957  0.62321817
   0.75475664  0.34490864  0.80969925
   0.61218406  0.65425743  0.00095121
   0.91462994  0.59800595  0.37617027
   0.58816476  0.89269919  0.14603190
   0.83869098  0.84445884  0.25692063
   0.65680100  0.65375973  0.47441476
   0.87222445  0.60081931  0.88626584
   0.61074937  0.90674829  0.61699169
   0.83530998  0.84102021  0.75113413
   0.11225953  0.07272608  0.14603094
   0.34892520  0.18754125  0.28003760
   0.13446711  0.30631549  0.01398256
   0.35874083  0.43657807  0.34244587
   0.54063749  0.35774990  0.21528703
   0.29018134  0.37346854  0.15001481
   0.20193255  0.10641215  0.43791706
  -0.03551758  0.20610304  0.40717082
   0.00717493  0.04013603  0.55539051
   0.45944884  0.23486082  0.76933796
   0.07348073  0.31010656  0.54634049
   0.34851966  0.46372250  0.83690995
   0.44559314  0.44975098  0.65800550
   0.22149123  0.33224737  0.70921638
   0.25680497  0.19541302 -0.13185076
   0.01343980  0.10869404  0.93760084
   0.10971545  0.56311266  0.07265486
   0.37269729  0.68174686  0.28190862
   0.10205766  0.83204377  0.03613014
   0.37100348  0.94361023  0.33385840
   0.42207674  0.90249252  0.15990476
   0.18214764  0.83123052  0.21573572
   0.31627668  0.65422053  0.45909523
   0.08080880  0.59614175  0.40545842
   0.17581513  0.54735792  0.59115782
   0.35003104  0.71823099  0.76977415
   0.11379444  0.79385922  0.53217013
   0.40275096  0.98145538  0.79287775
   0.44363494  0.89350771  0.60632756
   0.18835542  0.93243679  0.68490767
   0.27810195  0.67710153 -0.04979991
   0.02707840  0.64918498  0.90696499
   0.63381950  0.05318584  0.11848991
   0.81702091  0.19304250  0.24241903
   0.61073553  0.29701017  0.03534917
   0.88292282  0.43628008  0.35887927
   0.01472231  0.37174949  0.17514365
   0.77501498  0.41992963  0.14129196
   0.71357858  0.14544600  0.40591051
   0.46802538  0.15317427  0.45047992
   0.64563439  0.06151347  0.57474965
   0.83371922  0.19437954  0.79694224
   0.62054109  0.32747251  0.53703107
   0.86552536  0.43048866  0.86437529
   0.98489644  0.46535492  0.67857333
   0.72039928  0.39052892  0.69759377
   0.73850349  0.09794433  0.94433944
   0.47113636  0.11119400  0.95836153
   0.55351567  0.54705219  0.07759005
   0.88684032  0.69725139  0.28771854
   0.61493374  0.80957471  0.04843542
   0.88614122  0.96423252  0.32988592
   0.92169462  0.87603006  0.15943164
   0.66952902  0.84024659  0.24074812
   0.82363914  0.66682142  0.46696064
   0.56975928  0.55199412  0.40650597
   0.63555370  0.58042862  0.57823189
   0.81715607  0.68517662  0.79344639
   0.59649753  0.80780542  0.44710999
   0.90149112  0.93624636  0.83051127
   0.93772082  0.85059697  0.66783351
   0.68222827  0.90072367  0.72968200
   0.76845972  0.62969928  0.97746134
   0.54162823  0.62958700  0.89334258
   0.71594176  0.83015646  0.56131176
   0.51379986  0.82724817  0.40447317
   0.90106407  0.20769471  0.06868672
   0.92751437  0.37264434  0.39923535
   0.33115396  0.10605901  0.62659118
   0.26726942  0.76909863  0.77019257
   0.19547516  1.10848934  0.18622459
   0.22665053  1.05140617  0.02383198
   0.64893736  0.34630739  0.86893616
   0.89707221  0.49757347  0.62855998
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944351    0.242574   -0.096557
    -0.000000    9.788695    0.072763
    -0.000000    0.000000   13.945147
   Si   O    H 
    32    64    10
Direct configuration=  2014
   0.16527220  0.16288718 -0.03824142
   0.34703350  0.10228182  0.37979696
   0.14223640  0.40220780  0.10380835
   0.38339629  0.34853436  0.24738815
   0.07116944  0.16233803  0.49093823
   0.41024421  0.13150892  0.85852667
   0.11948472  0.40421982  0.63229028
   0.36630170  0.37180863  0.74516637
   0.13241035  0.68310053 -0.00309601
   0.41019489  0.58036903  0.37771866
   0.08714796  0.90897278  0.14057678
   0.33531315  0.84308036  0.25246908
   0.16238360  0.64731966  0.49989549
   0.38307483  0.62447082  0.86120785
   0.06471762  0.91003788  0.60868719
   0.34581680  0.97704564  0.67968218
   0.61756874  0.13385900  1.01285325
   0.85216274  0.12729307  0.34976290
   0.61903019  0.40709731  0.12138882
   0.87997435  0.29276692  0.15809234
   0.61698171  0.17717625  0.48994933
   0.87499856  0.08214558  0.87640726
   0.60021272  0.43646927  0.62338547
   0.75510214  0.34514943  0.80973188
   0.61059588  0.65506808  0.00209211
   0.91615408  0.59683413  0.37669977
   0.58818664  0.89271548  0.14690859
   0.83883696  0.84359681  0.25705590
   0.65637181  0.65280187  0.47548084
   0.87384555  0.60141685  0.88622588
   0.61071960  0.90518811  0.61587259
   0.83411173  0.84150375  0.75138733
   0.11150829  0.07310800  0.14617960
   0.34970945  0.18779177  0.28005848
   0.13230973  0.30525731  0.01383080
   0.35689417  0.43465227  0.34234266
   0.54255591  0.35669827  0.21588870
   0.29194848  0.37433679  0.15049310
   0.20361035  0.10825285  0.43696507
  -0.03414078  0.20567012  0.40667569
   0.00855712  0.04132153  0.55493067
   0.45947765  0.23374115  0.76924249
   0.07543446  0.30913068  0.54587854
   0.34893287  0.46430891  0.83673588
   0.44565009  0.45005312  0.65764141
   0.22352808  0.33310607  0.70995946
   0.25720301  0.19395361 -0.13319121
   0.01450047  0.10812335  0.93843802
   0.10770493  0.56159029  0.07409882
   0.37330069  0.68087847  0.28187627
   0.10149338  0.83413417  0.03693414
   0.37070097  0.94494549  0.33391725
   0.42412363  0.90264219  0.15975702
   0.18152825  0.83146438  0.21488123
   0.31664091  0.65343162  0.45989013
   0.08018853  0.59652095  0.40609763
   0.17465018  0.54624805  0.59145892
   0.34956055  0.71794665  0.76990203
   0.11507581  0.79342150  0.53287822
   0.40333564  0.98115737  0.79315937
   0.44451540  0.89234809  0.60696068
   0.18848648  0.93116889  0.68420608
   0.27975898  0.67880478 -0.05043874
   0.02805687  0.64873825  0.90644966
   0.63403439  0.05534107  0.11629782
   0.81493582  0.19223916  0.24201799
   0.61088334  0.29733354  0.03748451
   0.88259161  0.43516265  0.35846461
   0.01429336  0.37056543  0.17425551
   0.77524233  0.42216029  0.14111691
   0.71171724  0.14519868  0.40438662
   0.46671220  0.15460715  0.45076769
   0.64480914  0.06107314  0.57555873
   0.83414715  0.19595404  0.79783471
   0.61964402  0.32742643  0.53604456
   0.86563373  0.43330648  0.86315004
   0.98465359  0.46572205  0.67728734
   0.71817813  0.38953153  0.69782268
   0.73925868  0.09775507  0.94564134
   0.47054101  0.11021433  0.95951192
   0.55310559  0.54767770  0.07825321
   0.88594845  0.69799535  0.28732213
   0.61468504  0.81050021  0.04865775
   0.88696254  0.96445560  0.33078564
   0.92196287  0.87598159  0.16035233
   0.66810807  0.84240492  0.23972326
   0.82284621  0.66686286  0.46625460
   0.56873127  0.55183156  0.40718186
   0.63578364  0.57990404  0.57893327
   0.81817436  0.68518849  0.79370780
   0.59743777  0.80835484  0.44643571
   0.90098177  0.93706915  0.83159540
   0.93831549  0.84945069  0.66690340
   0.68329767  0.90143764  0.73056829
   0.76898222  0.62921243  0.97787639
   0.54182586  0.63158953  0.89212513
   0.71767579  0.82858740  0.56226380
   0.51160357  0.83003004  0.40392088
   0.89790398  0.20848402  0.06896283
   0.92876405  0.37195361  0.40210806
   0.33353064  0.11816672  0.62606840
   0.26188002  0.76922348  0.77192304
   0.19343496  1.10742881  0.18637633
   0.22627810  1.05335054  0.01872197
   0.64368370  0.34387992  0.86659918
   0.90479262  0.49404635  0.63040947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943323    0.242186   -0.098310
    -0.000000    9.788205    0.074306
    -0.000000    0.000000   13.945915
   Si   O    H 
    32    64    10
Direct configuration=  2015
   0.16531170  0.16292656 -0.03714037
   0.34689258  0.10280167  0.38049522
   0.14185490  0.40265459  0.10433197
   0.38374969  0.34781397  0.24705169
   0.07107269  0.16186087  0.49197181
   0.40996956  0.13112425  0.85946393
   0.12029865  0.40410160  0.63222650
   0.36640909  0.37274114  0.74541787
   0.13268861  0.68361717 -0.00332162
   0.41106157  0.57940206  0.37838234
   0.08715215  0.90990895  0.14075459
   0.33542781  0.84413137  0.25278904
   0.16218957  0.64753277  0.49943514
   0.38244484  0.62305452  0.86175573
   0.06511585  0.90984676  0.60812827
   0.34599768  0.97725254  0.67887477
   0.61744641  0.13299993  1.01279631
   0.85128910  0.12554721  0.34937068
   0.61938629  0.40562176  0.12064734
   0.88076639  0.29126581  0.15755572
   0.61647661  0.17775982  0.48945713
   0.87679740  0.08223048  0.87642554
   0.60077219  0.43635885  0.62345672
   0.75492823  0.34593866  0.80961969
   0.60953176  0.65582297  0.00297894
   0.91705735  0.59515171  0.37730195
   0.58843684  0.89339320  0.14715541
   0.83881673  0.84287329  0.25675485
   0.65635740  0.65199490  0.47639247
   0.87507793  0.60189808  0.88632319
   0.61033202  0.90353557  0.61484167
   0.83280355  0.84217718  0.75153025
   0.11174040  0.07293395  0.14719021
   0.35017785  0.18778885  0.28061276
   0.13067488  0.30497093  0.01352530
   0.35544390  0.43260410  0.34246625
   0.54418758  0.35626224  0.21628507
   0.29383987  0.37545627  0.15111898
   0.20550214  0.10953206  0.43608521
  -0.03268883  0.20543622  0.40666702
   0.01001573  0.04229607  0.55396763
   0.45999055  0.23290350  0.76927764
   0.07695278  0.30788508  0.54457062
   0.35055821  0.46551004  0.83686478
   0.44625424  0.44996145  0.65756214
   0.22555072  0.33368192  0.71019914
   0.25693489  0.19289017 -0.13465880
   0.01455378  0.10797167  0.93907020
   0.10566111  0.56059011  0.07536187
   0.37466847  0.68019956  0.28193211
   0.10115225  0.83668334  0.03754290
   0.37069605  0.94549650  0.33394292
   0.42553832  0.90312517  0.15938539
   0.18124949  0.83155149  0.21457151
   0.31603227  0.65232528  0.46027952
   0.07992317  0.59622195  0.40651211
   0.17371789  0.54487592  0.59163085
   0.34847303  0.71710704  0.77022864
   0.11621678  0.79360637  0.53345054
   0.40449949  0.98162758  0.79355054
   0.44583296  0.89060659  0.60717222
   0.18905189  0.93001171  0.68383812
   0.28152435  0.68010021 -0.05113634
   0.02914997  0.64839314  0.90605656
   0.63399172  0.05664487  0.11398142
   0.81355697  0.19142219  0.24186048
   0.61077693  0.29678393  0.03923620
   0.88299122  0.43402895  0.35816668
   0.01489122  0.36940376  0.17379853
   0.77495262  0.42430962  0.14104864
   0.71096967  0.14493113  0.40314674
   0.46527271  0.15629971  0.45105023
   0.64452810  0.06143334  0.57616045
   0.83404013  0.19736863  0.79817912
   0.61879396  0.32745954  0.53455736
   0.86534720  0.43656806  0.86196604
   0.98328953  0.46696477  0.67645945
   0.71628050  0.38868766  0.69847630
   0.74038254  0.09793215  0.94644516
   0.47065312  0.10873011  0.96068864
   0.55197791  0.54867766  0.07834611
   0.88520915  0.69686991  0.28748164
   0.61426252  0.81110744  0.04903179
   0.88784922  0.96505921  0.33176721
   0.92222200  0.87638462  0.16105979
   0.66787329  0.84484883  0.23916394
   0.82199404  0.66647766  0.46546771
   0.56796848  0.55197776  0.40854828
   0.63635993  0.57929786  0.57951555
   0.81992353  0.68533892  0.79339517
   0.59828882  0.80858165  0.44509266
   0.90003191  0.93796893  0.83227071
   0.93869970  0.84836913  0.66543773
   0.68410536  0.90337144  0.73076130
   0.76937020  0.62827242  0.97791939
   0.54236963  0.63334409  0.89098509
   0.71958879  0.82965429  0.56475277
   0.51767641  0.83266940  0.40706904
   0.89331191  0.20914356  0.07193973
   0.93158599  0.37132410  0.40583376
   0.33564010  0.12448377  0.62920744
   0.26208544  0.76382801  0.77322596
   0.18639905  1.10437490  0.18215208
   0.22566105  1.05883736  0.01328357
   0.63438034  0.34316517  0.86704252
   0.91914692  0.48745302  0.63784383
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942434    0.242022   -0.100298
    -0.000000    9.787649    0.075783
    -0.000000    0.000000   13.946860
   Si   O    H 
    32    64    10
Direct configuration=  2016
   0.16573916  0.16306765 -0.03631471
   0.34662450  0.10320460  0.38129774
   0.14114132  0.40348068  0.10496853
   0.38462312  0.34680845  0.24717740
   0.07082283  0.16185732  0.49267370
   0.40923167  0.13092157  0.85981349
   0.12094050  0.40480146  0.63208857
   0.36705530  0.37355838  0.74541703
   0.13326637  0.68343624 -0.00395797
   0.41163141  0.57820425  0.37900209
   0.08669316  0.91065993  0.14097484
   0.33514168  0.84513735  0.25273393
   0.16315399  0.64784236  0.49929188
   0.38117237  0.62148549  0.86229822
   0.06536166  0.90914611  0.60778771
   0.34615865  0.97777310  0.67836043
   0.61731416  0.13215171  1.01286338
   0.85065780  0.12425973  0.34836250
   0.61965242  0.40462187  0.12010069
   0.88120136  0.28938692  0.15721626
   0.61580689  0.17825298  0.48920580
   0.87875964  0.08233175  0.87682556
   0.60121995  0.43554311  0.62321105
   0.75454742  0.34685133  0.80922872
   0.60884355  0.65677278  0.00334131
   0.91825511  0.59312563  0.37783810
   0.58870647  0.89433816  0.14674327
   0.83921829  0.84290898  0.25601381
   0.65690212  0.65137593  0.47751071
   0.87633994  0.60162851  0.88644619
   0.61031182  0.90235530  0.61409732
   0.83156470  0.84315349  0.75183791
   0.11214997  0.07293719  0.14821917
   0.35054764  0.18845235  0.28147806
   0.12930550  0.30445727  0.01325451
   0.35518837  0.43043908  0.34251899
   0.54569614  0.35612651  0.21673678
   0.29487654  0.37790956  0.15165747
   0.20829230  0.11018205  0.43484697
  -0.03204677  0.20575386  0.40635069
   0.01088798  0.04349661  0.55278356
   0.46083258  0.23204254  0.76905916
   0.07830453  0.30734088  0.54296155
   0.35140865  0.46696540  0.83719224
   0.44670091  0.44987581  0.65774597
   0.22662524  0.33345916  0.71018563
   0.25713208  0.19245877 -0.13521870
   0.01426843  0.10818885  0.93970496
   0.10393373  0.56039310  0.07687329
   0.37647733  0.68033638  0.28209256
   0.10109439  0.83961285  0.03789144
   0.37023752  0.94573440  0.33381263
   0.42628116  0.90322004  0.15882907
   0.18124937  0.83108212  0.21457499
   0.31541290  0.65087979  0.46099357
   0.07934015  0.59554907  0.40606562
   0.17277769  0.54361612  0.59158130
   0.34776358  0.71646039  0.76989093
   0.11737218  0.79351596  0.53432666
   0.40582421  0.98211534  0.79392225
   0.44721209  0.88854197  0.60717834
   0.18923542  0.92834642  0.68365046
   0.28470123  0.68102723 -0.05143840
   0.03021438  0.64796824  0.90546787
   0.63367200  0.05849743  0.11206735
   0.81239570  0.19104467  0.24203354
   0.61048046  0.29514247  0.04069305
   0.88344491  0.43332618  0.35854252
   0.01640259  0.36801169  0.17362401
   0.77488025  0.42617236  0.14138072
   0.71098910  0.14509752  0.40181761
   0.46276790  0.15800608  0.45048962
   0.64380360  0.06156489  0.57656602
   0.83358594  0.19840910  0.79858358
   0.61799012  0.32736522  0.53346382
   0.86501523  0.44032217  0.86081652
   0.98312830  0.46743917  0.67725728
   0.71448482  0.38799541  0.69932617
   0.74261695  0.09825426  0.94691578
   0.47098470  0.10650367  0.96151043
   0.55142194  0.54936784  0.07870650
   0.88506860  0.69510242  0.28773843
   0.61446402  0.81080223  0.04886164
   0.88893771  0.96554986  0.33207066
   0.92269176  0.87608096  0.16210619
   0.66885865  0.84748286  0.23912669
   0.82152319  0.66599344  0.46463324
   0.56672634  0.55259810  0.40957521
   0.63684635  0.57883493  0.58032472
   0.82154416  0.68572353  0.79239072
   0.59857387  0.80872035  0.44442956
   0.89936528  0.93725700  0.83256371
   0.93853426  0.84579934  0.66393560
   0.68470943  0.90518362  0.73077330
   0.77042083  0.62822960  0.97762215
   0.54262281  0.63508330  0.88973742
   0.71947507  0.82570134  0.56583947
   0.52518392  0.83142174  0.40847671
   0.89001413  0.20981398  0.07381462
   0.93429314  0.37338702  0.40831020
   0.33820800  0.12412046  0.63329689
   0.25834987  0.76107745  0.77241383
   0.18489683  1.10123493  0.18108269
   0.22909168  1.05768681  0.01087759
   0.62358789  0.33981376  0.86566172
   0.90823544  0.48846229  0.63024942
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941862    0.242326   -0.102639
    -0.000000    9.787636    0.077062
    -0.000000    0.000000   13.948086
   Si   O    H 
    32    64    10
Direct configuration=  2017
   0.16638847  0.16339785 -0.03565122
   0.34644082  0.10414064  0.38231483
   0.14042392  0.40400342  0.10608617
   0.38538234  0.34596666  0.24664459
   0.07115949  0.16257845  0.49349891
   0.40831033  0.13042080  0.86005559
   0.12091727  0.40515411  0.63213226
   0.36811985  0.37365354  0.74561825
   0.13398893  0.68365086 -0.00421308
   0.41085000  0.57709983  0.37993124
   0.08622917  0.91174916  0.14114298
   0.33499170  0.84544788  0.25283660
   0.16372301  0.64849841  0.49864929
   0.38027540  0.62111597  0.86294287
   0.06568684  0.90836956  0.60767005
   0.34560391  0.97905474  0.67837444
   0.61727550  0.13160190  1.01255579
   0.85020087  0.12353180  0.34733611
   0.62006509  0.40402765  0.11996191
   0.88179291  0.28793863  0.15696586
   0.61486641  0.17817751  0.48922699
   0.87996357  0.08318945  0.87687917
   0.60119302  0.43474150  0.62273417
   0.75436111  0.34774671  0.80871943
   0.60797769  0.65779570  0.00324112
   0.91917529  0.59094733  0.37825201
   0.58862798  0.89509200  0.14587202
   0.83969440  0.84317183  0.25535914
   0.65686545  0.65085789  0.47862000
   0.87738072  0.60178767  0.88684764
   0.61100876  0.90173452  0.61386375
   0.83010558  0.84366029  0.75241025
   0.11143958  0.07280059  0.14905588
   0.35077716  0.18937217  0.28173204
   0.12872351  0.30469288  0.01277090
   0.35552089  0.42891778  0.34290436
   0.54627833  0.35602114  0.21789692
   0.29462279  0.38070758  0.15219132
   0.21042650  0.11083489  0.43362987
  -0.03092247  0.20648230  0.40588755
   0.01182458  0.04431205  0.55176501
   0.46082202  0.23086738  0.76916172
   0.07867420  0.30626462  0.54187927
   0.35180704  0.46774907  0.83772011
   0.44793220  0.45012158  0.65810628
   0.22645627  0.33296932  0.70918089
   0.25724864  0.19237296 -0.13555277
   0.01350374  0.10858107  0.94021596
   0.10223246  0.56006660  0.07862354
   0.37831550  0.68096509  0.28264816
   0.10215414  0.84049767  0.03770651
   0.36967401  0.94676804  0.33404706
   0.42635659  0.90359013  0.15837601
   0.18160238  0.83048238  0.21474450
   0.31554293  0.64916763  0.46190043
   0.07912417  0.59508412  0.40508296
   0.17307372  0.54356701  0.59088729
   0.34712160  0.71549471  0.76949964
   0.11873469  0.79423325  0.53548575
   0.40701281  0.98314699  0.79395312
   0.44804922  0.88641933  0.60751440
   0.19023197  0.92586478  0.68357406
   0.28705996  0.68143222 -0.05156804
   0.03141773  0.64768497  0.90519478
   0.63393922  0.05909840  0.11054409
   0.81112520  0.19110392  0.24256890
   0.60947278  0.29359283  0.04123066
   0.88352885  0.43353930  0.35947537
   0.01787392  0.36707968  0.17334611
   0.77504001  0.42751707  0.14178469
   0.71051447  0.14500414  0.40083793
   0.46049110  0.15957519  0.45042404
   0.64245726  0.06183070  0.57676543
   0.83294400  0.19943115  0.79933393
   0.61755141  0.32712040  0.53217436
   0.86425088  0.44405368  0.86000151
   0.98295544  0.46795876  0.67760751
   0.71244249  0.38658052  0.70001447
   0.74482540  0.09907886  0.94696150
   0.47141326  0.10500851  0.96220612
   0.55076254  0.54948037  0.07875699
   0.88496558  0.69235943  0.28756801
   0.61558874  0.81128437  0.04862585
   0.88997579  0.96571671  0.33273483
   0.92371201  0.87578200  0.16318873
   0.67005528  0.84896561  0.23863264
   0.82130193  0.66418800  0.46303811
   0.56537217  0.55342545  0.41073832
   0.63790311  0.57811466  0.58115218
   0.82277995  0.68643459  0.79163312
   0.59933430  0.80819025  0.44454226
   0.89885136  0.93671842  0.83317784
   0.93865240  0.84325697  0.66237030
   0.68446583  0.90716932  0.73033327
   0.77233917  0.62785746  0.97734642
   0.54277575  0.63633216  0.88850168
   0.71747256  0.82234858  0.56975361
   0.51537329  0.83580598  0.40442981
   0.88834378  0.20629083  0.07137085
   0.93513803  0.37530084  0.40424601
   0.34217053  0.11901125  0.63844183
   0.26067302  0.75836444  0.77323874
   0.19670875  1.10273849  0.18903238
   0.23836645  1.05025015  0.01131560
   0.61826008  0.33671989  0.86249095
   0.90206200  0.48713291  0.62525294
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941005    0.242379   -0.104728
    -0.000000    9.787438    0.078363
    -0.000000    0.000000   13.949176
   Si   O    H 
    32    64    10
Direct configuration=  2018
   0.16682439  0.16320220 -0.03541789
   0.34603271  0.10497347  0.38309776
   0.14010634  0.40421343  0.10678981
   0.38620607  0.34408587  0.24608413
   0.07180929  0.16305656  0.49391689
   0.40687868  0.13017779  0.85981367
   0.12099549  0.40571426  0.63209183
   0.37012564  0.37376939  0.74582925
   0.13414616  0.68406166 -0.00496092
   0.40984002  0.57656524  0.38062659
   0.08527637  0.91259057  0.14091909
   0.33519153  0.84556960  0.25309219
   0.16388571  0.64895793  0.49810569
   0.37979910  0.62153694  0.86336883
   0.06583539  0.90723542  0.60754979
   0.34580454  0.98001889  0.67821706
   0.61743221  0.13090329  1.01183587
   0.84968585  0.12326727  0.34633501
   0.61989304  0.40436317  0.11958867
   0.88200611  0.28706014  0.15684581
   0.61353714  0.17778603  0.48936797
   0.88121851  0.08337247  0.87717577
   0.60144823  0.43428721  0.62224779
   0.75396207  0.34775805  0.80872593
   0.60755949  0.65922532  0.00246046
   0.91970447  0.58929794  0.37858507
   0.58838328  0.89623808  0.14488397
   0.83985593  0.84382042  0.25514653
   0.65752357  0.65056313  0.47966957
   0.87852696  0.60192844  0.88700914
   0.61219518  0.90164422  0.61415952
   0.82898850  0.84367735  0.75277608
   0.11146993  0.07272993  0.15047111
   0.35060207  0.19056722  0.28226047
   0.12772302  0.30559535  0.01282856
   0.35568459  0.42746207  0.34303226
   0.54644701  0.35611356  0.21952200
   0.29472736  0.38281611  0.15257917
   0.21142694  0.11091931  0.43292640
  -0.02943474  0.20680595  0.40546280
   0.01221629  0.04467031  0.55085898
   0.46201446  0.23045453  0.76906038
   0.07887030  0.30617939  0.54186035
   0.35200209  0.46807817  0.83827832
   0.44939428  0.44925262  0.65823291
   0.22540648  0.33194585  0.70766908
   0.25676832  0.19290106 -0.13521325
   0.01323377  0.10854682  0.94073020
   0.10041812  0.56003874  0.07977216
   0.38045618  0.68225511  0.28285779
   0.10290954  0.84101792  0.03720899
   0.36888949  0.94815126  0.33453591
   0.42610069  0.90421505  0.15783570
   0.18250841  0.83022510  0.21561731
   0.31632547  0.64757280  0.46292191
   0.07857747  0.59433105  0.40439974
   0.17386045  0.54375052  0.58980517
   0.34679966  0.71433867  0.76853875
   0.11977782  0.79540265  0.53635697
   0.40784414  0.98438572  0.79414589
   0.44811098  0.88508375  0.60805374
   0.19126586  0.92298269  0.68341458
   0.28912573  0.68251273 -0.05115097
   0.03239382  0.64747983  0.90526934
   0.63380860  0.05769581  0.10968205
   0.81003684  0.19118546  0.24378722
   0.60758247  0.29097821  0.04173723
   0.88274781  0.43395053  0.36025321
   0.01981815  0.36621860  0.17378608
   0.77539918  0.42851140  0.14167556
   0.71111023  0.14432457  0.40012946
   0.45812868  0.16052115  0.45069690
   0.64105303  0.06238673  0.57642128
   0.83190227  0.20087137  0.80001782
   0.61742174  0.32714722  0.53090794
   0.86351708  0.44696593  0.85924085
   0.98206725  0.46832338  0.67764296
   0.71094886  0.38509980  0.69992116
   0.74716211  0.09970155  0.94704844
   0.47252596  0.10394159  0.96335083
   0.55005579  0.54958342  0.07860209
   0.88526654  0.68960030  0.28714945
   0.61639417  0.81126311  0.04835404
   0.89050954  0.96449706  0.33327698
   0.92508829  0.87523277  0.16407694
   0.67180240  0.84985954  0.23849496
   0.82131365  0.66259653  0.46128873
   0.56348620  0.55382793  0.41143064
   0.63890713  0.57728186  0.58209434
   0.82425834  0.68691369  0.79103988
   0.59920766  0.80783559  0.44409155
   0.89801139  0.93576870  0.83380308
   0.93874239  0.84090583  0.66082844
   0.68340537  0.90946790  0.72926172
   0.77338459  0.62784959  0.97759776
   0.54251813  0.63817459  0.88818675
   0.71433558  0.81756411  0.57258399
   0.51114570  0.83467775  0.40150264
   0.88569495  0.20180075  0.06696284
   0.93652406  0.37410797  0.40346693
   0.34677297  0.11472486  0.64050222
   0.25766420  0.75781533  0.77298590
   0.19973890  1.10196770  0.19246862
   0.24971626  1.04488698  0.01274102
   0.61951946  0.33677349  0.85776983
   0.90585651  0.48297837  0.62974760
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940717    0.242387   -0.106866
    -0.000000    9.786875    0.079396
    -0.000000    0.000000   13.950205
   Si   O    H 
    32    64    10
Direct configuration=  2019
   0.16712429  0.16299631 -0.03530166
   0.34570562  0.10567797  0.38317943
   0.13950075  0.40438086  0.10715475
   0.38744228  0.34227101  0.24611006
   0.07316774  0.16338800  0.49364685
   0.40555516  0.12991475  0.85912818
   0.12124820  0.40590415  0.63225306
   0.37297154  0.37388400  0.74600634
   0.13403467  0.68450535 -0.00558527
   0.40834439  0.57652476  0.38139630
   0.08405248  0.91234830  0.14101344
   0.33539200  0.84523713  0.25323554
   0.16380433  0.64987373  0.49772651
   0.37990374  0.62181500  0.86370771
   0.06616887  0.90609322  0.60751251
   0.34645655  0.98138355  0.67824453
   0.61791994  0.13116432  1.01077152
   0.84919291  0.12339653  0.34479870
   0.61902996  0.40508360  0.11957794
   0.88178526  0.28595732  0.15691599
   0.61241982  0.17692686  0.48968467
   0.88212549  0.08400441  0.87791471
   0.60063149  0.43337224  0.62159505
   0.75337308  0.34761365  0.80884971
   0.60742026  0.66034284  0.00140283
   0.92085774  0.58843948  0.37830503
   0.58796648  0.89737603  0.14388783
   0.83965157  0.84459985  0.25470556
   0.65839405  0.65008542  0.48008779
   0.87946926  0.60220471  0.88706785
   0.61380337  0.90205912  0.61446738
   0.82799757  0.84411674  0.75345077
   0.11236708  0.07347469  0.15207318
   0.35068030  0.19132487  0.28226914
   0.12596542  0.30621529  0.01261087
   0.35549780  0.42720288  0.34273889
   0.54585678  0.35626682  0.22114426
   0.29469607  0.38440852  0.15248448
   0.21120171  0.11087080  0.43316552
  -0.02837615  0.20672483  0.40515859
   0.01291591  0.04421543  0.55091945
   0.46351210  0.23049986  0.76916321
   0.07933741  0.30571571  0.54200944
   0.35204328  0.46799994  0.83877363
   0.45036916  0.44824087  0.65800853
   0.22461712  0.33230322  0.70597769
   0.25523929  0.19383525 -0.13415164
   0.01364755  0.10901070  0.94077375
   0.09996003  0.56060500  0.08015145
   0.38228415  0.68365947  0.28263003
   0.10378976  0.84121801  0.03660595
   0.36778230  0.94892509  0.33503484
   0.42492197  0.90507376  0.15799530
   0.18365550  0.83009626  0.21665967
   0.31797943  0.64610138  0.46354884
   0.07821122  0.59420314  0.40393472
   0.17461311  0.54386052  0.58859324
   0.34689709  0.71301748  0.76745773
   0.12071649  0.79704145  0.53688753
   0.40892965  0.98511703  0.79421770
   0.44783993  0.88358495  0.60885783
   0.19198574  0.91989588  0.68306678
   0.29089593  0.68347160 -0.04985098
   0.03361634  0.64798300  0.90487083
   0.63378883  0.05590585  0.10900945
   0.80910228  0.19208549  0.24454061
   0.60612743  0.28791020  0.04230456
   0.88213671  0.43410806  0.36093931
   0.02265054  0.36600880  0.17481504
   0.77608077  0.42901659  0.14072285
   0.71090606  0.14456725  0.39964415
   0.45648433  0.16182314  0.45167756
   0.63986306  0.06245589  0.57632244
   0.83085021  0.20166392  0.80068839
   0.61791430  0.32759552  0.53060218
   0.86207640  0.44936887  0.85850985
   0.98194217  0.46844625  0.67723454
   0.70985958  0.38413971  0.69997389
   0.74944631  0.09934053  0.94694506
   0.47335793  0.10331438  0.96444214
   0.55048686  0.54971197  0.07893967
   0.88522162  0.68705471  0.28646913
   0.61689481  0.81032425  0.04829586
   0.89117852  0.96293406  0.33419973
   0.92637217  0.87525128  0.16457287
   0.67347879  0.85162665  0.23770262
   0.82004070  0.66149176  0.45977198
   0.56206190  0.55428863  0.41181576
   0.63974345  0.57746220  0.58281898
   0.82474603  0.68709064  0.79052837
   0.59883329  0.80766069  0.44367229
   0.89786786  0.93492911  0.83447305
   0.93874783  0.83896617  0.65932851
   0.68142538  0.91207837  0.72819521
   0.77453733  0.62851022  0.97807650
   0.54266691  0.64077809  0.88810531
   0.71170972  0.81247711  0.57499574
   0.51723225  0.83256706  0.40448530
   0.88300970  0.19685026  0.06659483
   0.93954291  0.37184580  0.39948606
   0.34951389  0.11246179  0.63959144
   0.25763990  0.76044337  0.76872692
   0.19208503  1.10134210  0.18974177
   0.25820201  1.04820779  0.01173392
   0.62689471  0.33649631  0.85435973
   0.91432789  0.47793673  0.64050926
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940439    0.242813   -0.109258
    -0.000000    9.786787    0.080411
    -0.000000    0.000000   13.951598
   Si   O    H 
    32    64    10
Direct configuration=  2020
   0.16738096  0.16271711 -0.03510646
   0.34600936  0.10629026  0.38286158
   0.13922328  0.40512372  0.10755247
   0.38850129  0.34065311  0.24624671
   0.07499882  0.16347487  0.49315741
   0.40441579  0.12912841  0.85833939
   0.12110090  0.40613922  0.63192905
   0.37559448  0.37384012  0.74653541
   0.13361696  0.68503586 -0.00602772
   0.40712049  0.57610309  0.38192761
   0.08227786  0.91243651  0.14119094
   0.33608671  0.84462031  0.25362753
   0.16404911  0.65029384  0.49689515
   0.38087595  0.62221942  0.86352048
   0.06656748  0.90523963  0.60768632
   0.34773159  0.98244477  0.67863284
   0.61876299  0.13132069  1.00934423
   0.84848998  0.12431492  0.34344714
   0.61835988  0.40585403  0.11944323
   0.88139576  0.28551944  0.15710429
   0.61126363  0.17589454  0.48956118
   0.88240026  0.08502572  0.87888465
   0.59964593  0.43274605  0.62114611
   0.75301772  0.34774872  0.80952185
   0.60786375  0.66181705  0.00013742
   0.92157279  0.58718751  0.37800915
   0.58777881  0.89830703  0.14281050
   0.83982867  0.84545433  0.25432856
   0.65883315  0.64935542  0.48005800
   0.88016415  0.60179135  0.88679774
   0.61523166  0.90239433  0.61471246
   0.82741946  0.84455841  0.75400100
   0.11299533  0.07486052  0.15324406
   0.35075480  0.19213932  0.28225150
   0.12476265  0.30688699  0.01289534
   0.35555523  0.42709528  0.34278527
   0.54454637  0.35656530  0.22218407
   0.29404647  0.38626723  0.15228399
   0.21005520  0.11135399  0.43451841
  -0.02742967  0.20569219  0.40447610
   0.01362161  0.04318113  0.55126330
   0.46548734  0.23108872  0.77008246
   0.07985154  0.30501873  0.54230156
   0.35222180  0.46671131  0.83897757
   0.45056247  0.44780366  0.65804144
   0.22278781  0.33226512  0.70455391
   0.25355112  0.19532582 -0.13285753
   0.01367873  0.10944649  0.94099085
   0.09918272  0.56169672  0.08032314
   0.38344898  0.68531198  0.28257670
   0.10525652  0.84178042  0.03587413
   0.36696100  0.94931558  0.33594367
   0.42414025  0.90587048  0.15794084
   0.18388333  0.82917016  0.21725082
   0.31985678  0.64461283  0.46414263
   0.07747779  0.59471221  0.40357036
   0.17556820  0.54459796  0.58696446
   0.34693180  0.71230502  0.76614285
   0.12084322  0.79761482  0.53668515
   0.40978893  0.98564368  0.79438877
   0.44754855  0.88177955  0.60945545
   0.19243913  0.91721776  0.68253877
   0.29205296  0.68502335 -0.04807795
   0.03401755  0.64820072  0.90454212
   0.63306781  0.05366613  0.10913121
   0.80894965  0.19308462  0.24457322
   0.60500511  0.28526787  0.04275731
   0.88094482  0.43426888  0.36169550
   0.02482944  0.36626298  0.17594953
   0.77675273  0.42931988  0.13952961
   0.71036907  0.14506193  0.39947311
   0.45546617  0.16318755  0.45309009
   0.63928758  0.06307697  0.57642772
   0.83019460  0.20220922  0.80088143
   0.61850054  0.32883429  0.53082947
   0.86099400  0.45095091  0.85800015
   0.98317596  0.46781484  0.67788763
   0.70855326  0.38361752  0.69985510
   0.75180138  0.09933266  0.94658022
   0.47406711  0.10315306  0.96529311
   0.55182285  0.55038888  0.07916152
   0.88545492  0.68453636  0.28641869
   0.61693053  0.80845390  0.04808401
   0.89181343  0.96174134  0.33514485
   0.92730302  0.87551112  0.16504496
   0.67532632  0.85271153  0.23732838
   0.81760873  0.66014664  0.45822616
   0.56121402  0.55552325  0.41241067
   0.64041169  0.57772090  0.58388324
   0.82493945  0.68743070  0.79026689
   0.59814943  0.80748540  0.44377986
   0.89782673  0.93420511  0.83565120
   0.93770680  0.83757992  0.65843573
   0.67916047  0.91438368  0.72711299
   0.77561340  0.62878655  0.97861586
   0.54207964  0.64349219  0.88800022
   0.71356721  0.80135163  0.57659851
   0.52494559  0.82822577  0.40617506
   0.88269545  0.19447764  0.06934623
   0.94434761  0.36766425  0.39571966
   0.35602957  0.11769993  0.63956706
   0.26114160  0.76201703  0.76417901
   0.18833622  1.09849871  0.18655046
   0.26477986  1.05657820  0.00910921
   0.63288563  0.33894463  0.85150184
   0.89371898  0.47722437  0.63647130
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940012    0.243647   -0.112412
    -0.000000    9.786600    0.080641
    -0.000000    0.000000   13.953146
   Si   O    H 
    32    64    10
Direct configuration=  2021
   0.16728246  0.16310707 -0.03550726
   0.34654379  0.10766319  0.38189744
   0.13917874  0.40571528  0.10719671
   0.38972008  0.33951956  0.24616344
   0.07686427  0.16448790  0.49246880
   0.40342930  0.12804470  0.85745479
   0.12076867  0.40646564  0.63141763
   0.37760767  0.37323960  0.74716757
   0.13270239  0.68572360 -0.00661335
   0.40572228  0.57521492  0.38158937
   0.08024132  0.91254567  0.14173714
   0.33688224  0.84491134  0.25417784
   0.16456511  0.65006641  0.49577851
   0.38140037  0.62278610  0.86355980
   0.06703056  0.90452241  0.60838596
   0.34975341  0.98277860  0.67911208
   0.61974466  0.13111885  1.00779503
   0.84844680  0.12513248  0.34234976
   0.61713304  0.40590545  0.11970920
   0.88105922  0.28544554  0.15691969
   0.60987663  0.17482771  0.48982466
   0.88268516  0.08596773  0.87959757
   0.59914125  0.43132774  0.62072666
   0.75345034  0.34789847  0.80997672
   0.60810533  0.66308656 -0.00106206
   0.92145876  0.58594494  0.37767954
   0.58750134  0.89890631  0.14179987
   0.83949033  0.84592184  0.25376228
   0.65930914  0.64963620  0.48035572
   0.88053736  0.60202276  0.88645622
   0.61594022  0.90283250  0.61475361
   0.82670120  0.84475425  0.75433364
   0.11306650  0.07548750  0.15417027
   0.35086996  0.19283498  0.28173063
   0.12407427  0.30705159  0.01277745
   0.35625471  0.42784327  0.34305452
   0.54297452  0.35710326  0.22364695
   0.29289876  0.38772683  0.15219959
   0.20879053  0.11216515  0.43601192
  -0.02658746  0.20492889  0.40336850
   0.01475211  0.04216739  0.55183700
   0.46718057  0.23283558  0.77083404
   0.08016962  0.30493207  0.54280801
   0.35219121  0.46448322  0.83977175
   0.45034155  0.44836639  0.65826389
   0.22148992  0.33251593  0.70310074
   0.25303058  0.19684402 -0.13114263
   0.01350216  0.10964577  0.94093501
   0.09865208  0.56286056  0.08019541
   0.38518615  0.68669657  0.28237998
   0.10667517  0.84112248  0.03474887
   0.36541245  0.95059235  0.33689486
   0.42356573  0.90572405  0.15826894
   0.18358126  0.82756894  0.21808000
   0.32103907  0.64349667  0.46433606
   0.07665716  0.59504220  0.40318196
   0.17633600  0.54577747  0.58577847
   0.34678673  0.71263181  0.76480117
   0.12046200  0.79664243  0.53606024
   0.41035047  0.98553628  0.79413240
   0.44732166  0.87988829  0.60970799
   0.19355761  0.91567495  0.68176917
   0.29283111  0.68661998 -0.04597554
   0.03415975  0.64737697  0.90417601
   0.63292130  0.05123435  0.10933326
   0.80928737  0.19447113  0.24440671
   0.60400093  0.28332830  0.04250611
   0.88029285  0.43388790  0.36228094
   0.02639266  0.36665076  0.17746209
   0.77768100  0.42862477  0.13878793
   0.71000180  0.14511028  0.39923085
   0.45512342  0.16421838  0.45358408
   0.63903313  0.06361109  0.57596437
   0.83006488  0.20218256  0.80080427
   0.61883286  0.32993090  0.53097048
   0.86077035  0.45191308  0.85777034
   0.98326459  0.46644268  0.67820716
   0.70707649  0.38334590  0.69963738
   0.75309529  0.09869263  0.94696128
   0.47377158  0.10297826  0.96563003
   0.55299940  0.55247215  0.07963320
   0.88491301  0.68280918  0.28684118
   0.61677003  0.80739986  0.04726402
   0.89218907  0.96009305  0.33599861
   0.92848396  0.87587739  0.16450918
   0.67618587  0.85367718  0.23656387
   0.81495112  0.65911848  0.45726665
   0.56156235  0.55666819  0.41259123
   0.64169191  0.57881427  0.58483073
   0.82561689  0.68728954  0.79022275
   0.59805053  0.80645416  0.44427482
   0.89744645  0.93324009  0.83668326
   0.93709365  0.83587937  0.65789698
   0.67745320  0.91700070  0.72616872
   0.77666533  0.62897961  0.97934534
   0.54106165  0.64594744  0.88820100
   0.71506370  0.79753036  0.57708831
   0.52177750  0.82562479  0.40227652
   0.88202215  0.19468137  0.07388799
   0.94552599  0.36589089  0.39187793
   0.36279566  0.12161804  0.63928291
   0.26464659  0.76451235  0.76008452
   0.19943053  1.10373751  0.18883185
   0.26547972  1.06815167  0.00780681
   0.62627691  0.34356520  0.85314308
   0.88473641  0.47240773  0.63662548
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939459    0.245074   -0.115266
    -0.000000    9.787364    0.080645
    -0.000000    0.000000   13.954723
   Si   O    H 
    32    64    10
Direct configuration=  2022
   0.16662650  0.16348170 -0.03598684
   0.34738417  0.10940275  0.38119640
   0.13920809  0.40579753  0.10665963
   0.39105146  0.33896643  0.24605396
   0.07977493  0.16487005  0.49124722
   0.40231828  0.12767835  0.85662655
   0.12072636  0.40701449  0.63118903
   0.37890815  0.37285802  0.74737363
   0.13211100  0.68601933 -0.00704405
   0.40484695  0.57431291  0.38037688
   0.07821171  0.91250917  0.14223206
   0.33784494  0.84463317  0.25465485
   0.16477217  0.64969357  0.49445127
   0.38125978  0.62341005  0.86310206
   0.06697327  0.90349604  0.60882149
   0.35099331  0.98262004  0.67948060
   0.62075993  0.13090077  1.00657660
   0.84920078  0.12613709  0.34167963
   0.61598430  0.40565742  0.12008652
   0.88087494  0.28580019  0.15720423
   0.60897474  0.17388564  0.49017582
   0.88401772  0.08639097  0.88000756
   0.59928656  0.43027025  0.62010010
   0.75454606  0.34777381  0.81001013
   0.60828785  0.66367791 -0.00239337
   0.92082478  0.58448826  0.37732776
   0.58752734  0.89922545  0.14101330
   0.83955795  0.84640141  0.25359043
   0.65911823  0.65002400  0.48057722
   0.88098331  0.60264437  0.88638875
   0.61620394  0.90289227  0.61434430
   0.82656449  0.84496337  0.75447560
   0.11358925  0.07656329  0.15507716
   0.35082434  0.19243747  0.28151858
   0.12340289  0.30714582  0.01331070
   0.35671690  0.42884151  0.34350124
   0.54181026  0.35772810  0.22450059
   0.29138503  0.38938964  0.15207384
   0.20745131  0.11307539  0.43707322
  -0.02611167  0.20421058  0.40296367
   0.01545321  0.04123332  0.55268097
   0.46846513  0.23411369  0.77096529
   0.08075736  0.30619676  0.54358427
   0.35231233  0.46214357  0.84099735
   0.45047555  0.44852009  0.65892096
   0.22119093  0.33192671  0.70271285
   0.25240128  0.19780461 -0.12989981
   0.01435268  0.11006409  0.94164917
   0.09938959  0.56472628  0.07933133
   0.38657868  0.68769658  0.28247912
   0.10767694  0.84060083  0.03389472
   0.36386457  0.95120331  0.33818272
   0.42292864  0.90455454  0.15829049
   0.18328211  0.82620897  0.21891651
   0.32214956  0.64269827  0.46445261
   0.07623811  0.59519444  0.40324694
   0.17658195  0.54702549  0.58463203
   0.34686535  0.71276068  0.76394962
   0.11969493  0.79568408  0.53485975
   0.41064599  0.98631692  0.79418214
   0.44710380  0.87866312  0.61069052
   0.19556462  0.91522615  0.68110449
   0.29346856  0.68720107 -0.04368519
   0.03474867  0.64619950  0.90374627
   0.63287417  0.04854698  0.10895538
   0.81036168  0.19462749  0.24380894
   0.60288801  0.28311973  0.04240514
   0.88003585  0.43327267  0.36271903
   0.02692484  0.36664286  0.17886641
   0.77827489  0.42812835  0.13863953
   0.70976562  0.14495074  0.39924305
   0.45524722  0.16544496  0.45364938
   0.63783059  0.06345443  0.57526847
   0.83030374  0.20144207  0.80039909
   0.61931131  0.33085469  0.53105646
   0.85995020  0.45251772  0.85695920
   0.98189099  0.46531217  0.67826693
   0.70635285  0.38304292  0.69930802
   0.75436822  0.09769434  0.94737462
   0.47390340  0.10265489  0.96531250
   0.55442775  0.55374066  0.07995937
   0.88446739  0.68247975  0.28709299
   0.61658506  0.80684481  0.04658653
   0.89199848  0.95810492  0.33692478
   0.92917190  0.87722869  0.16354471
   0.67751366  0.85538261  0.23620315
   0.81319810  0.65780274  0.45603482
   0.56210784  0.55758225  0.41244305
   0.64282142  0.58090756  0.58530117
   0.82625057  0.68697319  0.79021950
   0.59752406  0.80593214  0.44501791
   0.89715393  0.93243065  0.83768867
   0.93625752  0.83354671  0.65741334
   0.67600204  0.91947110  0.72556777
   0.77696967  0.62936897  0.98021251
   0.53977345  0.64891243  0.88841016
   0.71477234  0.79910664  0.58042420
   0.52052773  0.82050183  0.39656753
   0.88687234  0.19037554  0.07972266
   0.94422411  0.36378795  0.38737301
   0.36798887  0.12406643  0.64140816
   0.26450359  0.76940627  0.75488230
   0.20199974  1.10753001  0.18636411
   0.26360073  1.08301509  0.00748693
   0.61544457  0.34654661  0.85848705
   0.89188566  0.46256689  0.64533631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938803    0.247379   -0.117729
    -0.000000    9.788371    0.081020
    -0.000000    0.000000   13.956362
   Si   O    H 
    32    64    10
Direct configuration=  2023
   0.16603399  0.16372035 -0.03635388
   0.34826764  0.11033338  0.38060933
   0.13944254  0.40635923  0.10638969
   0.39199262  0.33871688  0.24575205
   0.08234170  0.16476594  0.49012843
   0.40126872  0.12720773  0.85556140
   0.12057081  0.40736920  0.63056720
   0.37983105  0.37224141  0.74755708
   0.13187139  0.68610054 -0.00699917
   0.40357617  0.57377497  0.37906998
   0.07731724  0.91181753  0.14282690
   0.33887650  0.84410675  0.25482529
   0.16426069  0.64922282  0.49378208
   0.38119038  0.62463685  0.86273722
   0.06670363  0.90216762  0.60937890
   0.35229614  0.98245157  0.67948795
   0.62218163  0.12973950  1.00605213
   0.85005378  0.12760159  0.34154847
   0.61437034  0.40550872  0.12038009
   0.88088586  0.28682546  0.15776734
   0.60824025  0.17261281  0.49089494
   0.88463145  0.08684610  0.88065433
   0.59898390  0.42942929  0.61977859
   0.75499072  0.34729238  0.80999397
   0.60893032  0.66430581 -0.00396409
   0.91969876  0.58365909  0.37724505
   0.58744535  0.89925261  0.14007747
   0.83984342  0.84634572  0.25364110
   0.65887443  0.65008178  0.48067731
   0.88109325  0.60306938  0.88639979
   0.61720372  0.90333058  0.61438274
   0.82656591  0.84484408  0.75433240
   0.11400155  0.07765238  0.15582867
   0.35046732  0.19178079  0.28091000
   0.12163535  0.30716910  0.01358221
   0.35637155  0.42960662  0.34342118
   0.54111547  0.35832699  0.22478632
   0.28984272  0.39103002  0.15283882
   0.20674959  0.11373723  0.43780425
  -0.02669247  0.20379621  0.40217951
   0.01632235  0.04019313  0.55346335
   0.46950516  0.23491618  0.77119420
   0.08182574  0.30784627  0.54434245
   0.35212986  0.46046530  0.84208715
   0.44998985  0.44944926  0.65980122
   0.22148345  0.33056594  0.70307920
   0.25171668  0.19905372 -0.12882362
   0.01546095  0.11089482  0.94202633
   0.10025072  0.56689344  0.07828610
   0.38774951  0.68871208  0.28235750
   0.10771682  0.84027062  0.03354791
   0.36228762  0.95201748  0.33920963
   0.42241070  0.90325007  0.15809312
   0.18261000  0.82537808  0.21977429
   0.32360631  0.64237146  0.46458644
   0.07688186  0.59544416  0.40380557
   0.17630389  0.54770977  0.58372374
   0.34710535  0.71249660  0.76339744
   0.11962257  0.79426648  0.53337261
   0.41056252  0.98650869  0.79409632
   0.44748934  0.87850823  0.61162851
   0.19806229  0.91502527  0.68078388
   0.29393295  0.68782443 -0.04189369
   0.03617632  0.64551965  0.90418626
   0.63269765  0.04638124  0.10833416
   0.81197477  0.19463416  0.24294108
   0.60238835  0.28379737  0.04230586
   0.87920013  0.43209874  0.36319331
   0.02692702  0.36545582  0.18027372
   0.77920576  0.42735698  0.13905039
   0.70954121  0.14516606  0.39971455
   0.45564799  0.16638446  0.45361233
   0.63704105  0.06328246  0.57458777
   0.83071119  0.20180891  0.79974426
   0.61931020  0.33086235  0.53170010
   0.85960592  0.45272194  0.85625653
   0.97989319  0.46400742  0.67797057
   0.70598478  0.38285485  0.69890661
   0.75521433  0.09670598  0.94806173
   0.47450384  0.10295134  0.96489457
   0.55649616  0.55528909  0.08010162
   0.88362591  0.68236221  0.28700802
   0.61630273  0.80710880  0.04621362
   0.89132774  0.95629505  0.33780550
   0.92955482  0.87800368  0.16290257
   0.67913074  0.85775391  0.23592891
   0.81177852  0.65713505  0.45417480
   0.56233719  0.55802464  0.41253651
   0.64391141  0.58301867  0.58611495
   0.82622136  0.68674930  0.79059468
   0.59728803  0.80577815  0.44554345
   0.89674479  0.93188335  0.83866443
   0.93512923  0.83202839  0.65705541
   0.67461385  0.92200576  0.72524417
   0.77751326  0.62975841  0.98087810
   0.53820271  0.65193928  0.88895443
   0.71250293  0.80403802  0.58299460
   0.52373243  0.81640956  0.39701391
   0.89068902  0.18915282  0.08366508
   0.94773935  0.36094240  0.38422717
   0.37318927  0.12470867  0.64182837
   0.26660209  0.77317586  0.75087419
   0.19665684  1.10795653  0.18152187
   0.26439433  1.08813688  0.01132686
   0.61184724  0.34864094  0.86309380
   0.90452050  0.45413947  0.65307401
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937945    0.249364   -0.120073
    -0.000000    9.789128    0.080890
    -0.000000    0.000000   13.957471
   Si   O    H 
    32    64    10
Direct configuration=  2024
   0.16516090  0.16392531 -0.03676288
   0.34975896  0.11103194  0.37969875
   0.13930529  0.40687607  0.10624675
   0.39217748  0.33881773  0.24548749
   0.08403940  0.16482342  0.48919702
   0.39970890  0.12674512  0.85456480
   0.11960918  0.40767902  0.63003301
   0.38057833  0.37184238  0.74754934
   0.13168349  0.68604195 -0.00670618
   0.40291192  0.57426125  0.37780170
   0.07678135  0.91064593  0.14367304
   0.33954433  0.84398594  0.25482852
   0.16428566  0.64872267  0.49348228
   0.38089754  0.62592136  0.86181185
   0.06633411  0.90117493  0.61017242
   0.35408067  0.98135987  0.67907059
   0.62347443  0.12795172  1.00575733
   0.85096267  0.12878358  0.34182009
   0.61300195  0.40560710  0.12056123
   0.88090492  0.28769755  0.15810948
   0.60796837  0.17191612  0.49144451
   0.88473259  0.08749333  0.88077581
   0.59879673  0.42912476  0.61921591
   0.75512065  0.34659854  0.81000008
   0.60971508  0.66446589 -0.00496419
   0.91786236  0.58363054  0.37690070
   0.58716288  0.89856797  0.13892412
   0.84031633  0.84560390  0.25378315
   0.65876465  0.65029554  0.48103840
   0.88154572  0.60347429  0.88661955
   0.61815960  0.90377094  0.61505810
   0.82618765  0.84492529  0.75372166
   0.11387326  0.07740238  0.15636321
   0.34973360  0.19162892  0.27985601
   0.11960084  0.30830230  0.01414148
   0.35549424  0.42978158  0.34309768
   0.54187673  0.35876929  0.22475587
   0.28872840  0.39336089  0.15445965
   0.20673593  0.11402656  0.43771804
  -0.02739347  0.20359693  0.40121597
   0.01704526  0.03963016  0.55438259
   0.47070591  0.23539080  0.77182409
   0.08336603  0.30899119  0.54534885
   0.35175085  0.45971547  0.84338308
   0.44969936  0.45040837  0.66041742
   0.22206316  0.32988310  0.70284602
   0.25136905  0.20067212 -0.12822197
   0.01718837  0.11154129  0.94223329
   0.10110717  0.56898666  0.07692403
   0.38917141  0.68987680  0.28275647
   0.10789905  0.83978409  0.03324338
   0.36132024  0.95196046  0.34034869
   0.42199818  0.90185263  0.15799452
   0.18229274  0.82452924  0.22058074
   0.32547005  0.64164807  0.46470749
   0.07709744  0.59587062  0.40467061
   0.17653638  0.54891014  0.58318704
   0.34691668  0.71284461  0.76372552
   0.11894891  0.79361909  0.53166628
   0.41096387  0.98700258  0.79428590
   0.44869811  0.87856785  0.61346668
   0.20000795  0.91618253  0.68035922
   0.29391158  0.68738900 -0.03994580
   0.03728760  0.64495977  0.90419584
   0.63302882  0.04441658  0.10818518
   0.81273955  0.19492171  0.24185367
   0.60217991  0.28528527  0.04266554
   0.87883208  0.43108197  0.36310066
   0.02615906  0.36414969  0.18198282
   0.77934842  0.42561137  0.13934719
   0.70892024  0.14572294  0.39984485
   0.45598136  0.16652366  0.45374040
   0.63557928  0.06362676  0.57391426
   0.83168029  0.20232644  0.79903207
   0.61982583  0.33096189  0.53221208
   0.85917296  0.45231136  0.85514137
   0.98040075  0.46255661  0.67862002
   0.70631857  0.38318569  0.69912686
   0.75533063  0.09569216  0.94921966
   0.47464087  0.10382802  0.96379921
   0.55895179  0.55597779  0.08039322
   0.88275537  0.68350004  0.28686684
   0.61623728  0.80753644  0.04622207
   0.89055802  0.95511614  0.33835713
   0.92927392  0.87854555  0.16225861
   0.68020210  0.86073114  0.23573712
   0.81113538  0.65659556  0.45279578
   0.56208476  0.55835098  0.41223289
   0.64475613  0.58507453  0.58646274
   0.82583633  0.68645261  0.79111252
   0.59763472  0.80548109  0.44627777
   0.89672281  0.93204093  0.83931784
   0.93463616  0.83068634  0.65704554
   0.67401817  0.92476544  0.72501490
   0.77834197  0.63045971  0.98148533
   0.53631392  0.65339670  0.88949566
   0.71036603  0.80264369  0.58462873
   0.52787112  0.81225193  0.39980295
   0.89439739  0.18845056  0.08349993
   0.95055978  0.35869441  0.38294470
   0.37382784  0.12216480  0.64136013
   0.27196973  0.77811286  0.74752086
   0.19312349  1.10946506  0.17821788
   0.26584551  1.08748662  0.01826171
   0.61781757  0.34895684  0.86765943
   0.87914338  0.43967409  0.64893553
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937044    0.251117   -0.122178
    -0.000000    9.790127    0.080406
    -0.000000    0.000000   13.958563
   Si   O    H 
    32    64    10
Direct configuration=  2025
   0.16423705  0.16452243 -0.03716449
   0.35124118  0.11107622  0.37888615
   0.13966836  0.40668506  0.10594118
   0.39134456  0.33893577  0.24489660
   0.08425096  0.16529462  0.48829233
   0.39902352  0.12623470  0.85360452
   0.11838662  0.40831975  0.62900131
   0.38093241  0.37149813  0.74767196
   0.13165757  0.68598110 -0.00681780
   0.40318287  0.57453339  0.37650127
   0.07697120  0.90915449  0.14465312
   0.33999446  0.84407547  0.25519558
   0.16471418  0.64818996  0.49339530
   0.37990347  0.62677381  0.86095210
   0.06582317  0.90027639  0.61080080
   0.35524074  0.98036591  0.67831282
   0.62449215  0.12620734  1.00555256
   0.85180047  0.12974832  0.34203436
   0.61158550  0.40584699  0.12097529
   0.88105677  0.28853759  0.15835686
   0.60816714  0.17160295  0.49212907
   0.88448132  0.08749992  0.88090900
   0.59903845  0.42938767  0.61841207
   0.75467680  0.34581550  0.80994118
   0.61096172  0.66401052 -0.00598469
   0.91599171  0.58358822  0.37664370
   0.58698699  0.89800565  0.13806482
   0.84095130  0.84420735  0.25448108
   0.65867392  0.65100390  0.48133505
   0.88197160  0.60443776  0.88702347
   0.61876513  0.90401352  0.61518525
   0.82562536  0.84538190  0.75316299
   0.11218268  0.07588178  0.15671997
   0.34973571  0.19147673  0.27837336
   0.11875349  0.30976373  0.01466074
   0.35518089  0.43038271  0.34340505
   0.54285615  0.35954190  0.22417511
   0.28785868  0.39561938  0.15664890
   0.20732569  0.11448991  0.43710535
  -0.02856829  0.20355119  0.40066224
   0.01841274  0.03892917  0.55473847
   0.47156207  0.23543643  0.77265522
   0.08582239  0.30960677  0.54630253
   0.35221854  0.45900614  0.84415826
   0.44912908  0.45074126  0.66068088
   0.22310365  0.32939754  0.70360367
   0.25066876  0.20216468 -0.12772768
   0.01893571  0.11215371  0.94232904
   0.10177782  0.57047923  0.07529345
   0.38978791  0.69086463  0.28342195
   0.10765283  0.83944016  0.03351000
   0.36043694  0.95227304  0.34105927
   0.42191259  0.90001644  0.15857775
   0.18231860  0.82318984  0.22131067
   0.32686056  0.64093887  0.46512318
   0.07713912  0.59559794  0.40549578
   0.17697288  0.54994299  0.58253277
   0.34628805  0.71367466  0.76388982
   0.11917780  0.79304171  0.52966649
   0.41064169  0.98788578  0.79393774
   0.45017014  0.87842330  0.61553906
   0.20154642  0.91860046  0.67950716
   0.29402787  0.68641183 -0.03763188
   0.03859578  0.64338506  0.90409727
   0.63297527  0.04318754  0.10794397
   0.81409695  0.19494274  0.24089551
   0.60158933  0.28746507  0.04303253
   0.87885520  0.43010477  0.36404775
   0.02514629  0.36183208  0.18389641
   0.77940604  0.42438647  0.13940067
   0.70730872  0.14643195  0.39951213
   0.45643900  0.16633288  0.45472087
   0.63419463  0.06403442  0.57350898
   0.83250358  0.20305334  0.79811278
   0.62044747  0.33022915  0.53299910
   0.85866368  0.45100593  0.85365003
   0.98018663  0.46172458  0.67876219
   0.70652312  0.38366750  0.69964216
   0.75500928  0.09430088  0.95016886
   0.47527632  0.10359498  0.96215037
   0.56118922  0.55567561  0.08063640
   0.88155150  0.68522367  0.28625997
   0.61584330  0.80720581  0.04630514
   0.88953052  0.95442537  0.33813040
   0.92834960  0.87878550  0.16143170
   0.68073948  0.86290540  0.23543587
   0.81077502  0.65709728  0.45123884
   0.56156036  0.55893981  0.41184487
   0.64571090  0.58679334  0.58686705
   0.82524488  0.68684840  0.79172446
   0.59827066  0.80520981  0.44745970
   0.89671658  0.93287337  0.83969803
   0.93426764  0.82981877  0.65767332
   0.67383266  0.92727910  0.72513439
   0.77879835  0.63098354  0.98180627
   0.53483808  0.65402473  0.88970937
   0.70994765  0.79733745  0.58429563
   0.52382729  0.80950896  0.39689411
   0.89779228  0.18545846  0.07913057
   0.95194076  0.35614669  0.38034929
   0.37428579  0.11421421  0.64237294
   0.28173350  0.78064596  0.74606478
   0.20323432  1.11735486  0.17942770
   0.26310242  1.08238542  0.02647334
   0.63003992  0.34776540  0.87105257
   0.87130445  0.42939384  0.64792501
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936133    0.252408   -0.124379
    -0.000000    9.791387    0.079682
    -0.000000    0.000000   13.959849
   Si   O    H 
    32    64    10
Direct configuration=  2026
   0.16379380  0.16486724 -0.03703831
   0.35198806  0.11174269  0.37875721
   0.14044140  0.40690514  0.10532624
   0.39021526  0.33959348  0.24421330
   0.08383264  0.16567919  0.48746204
   0.39852353  0.12669370  0.85313342
   0.11699728  0.40949905  0.62809143
   0.38084580  0.37150541  0.74749504
   0.13146083  0.68640947 -0.00694310
   0.40271228  0.57481094  0.37523270
   0.07832110  0.90730601  0.14567813
   0.34080893  0.84342855  0.25531949
   0.16564337  0.64761110  0.49348577
   0.37871933  0.62775002  0.86053309
   0.06560125  0.89948972  0.61149491
   0.35626249  0.97961764  0.67772256
   0.62482570  0.12487615  1.00500598
   0.85195381  0.12986676  0.34224852
   0.61107954  0.40669267  0.12119133
   0.88107079  0.28975268  0.15860396
   0.60891521  0.17161194  0.49252720
   0.88444123  0.08761952  0.88099755
   0.59996664  0.43013386  0.61768759
   0.75501456  0.34516382  0.80936535
   0.61202982  0.66337024 -0.00690053
   0.91436488  0.58399888  0.37641914
   0.58624240  0.89753241  0.13742749
   0.84163854  0.84227933  0.25513091
   0.65923783  0.65172232  0.48152127
   0.88180090  0.60501289  0.88738125
   0.61914013  0.90438474  0.61530073
   0.82541197  0.84647224  0.75231023
   0.11111509  0.07428207  0.15789965
   0.34937299  0.19159331  0.27713962
   0.11831244  0.31176505  0.01515104
   0.35468732  0.43022249  0.34341865
   0.54511227  0.35987370  0.22326381
   0.28694176  0.39711390  0.15850602
   0.20759286  0.11469717  0.43609518
  -0.02963588  0.20266608  0.40095648
   0.01981368  0.03851314  0.55492968
   0.47227235  0.23518374  0.77367970
   0.08819772  0.30881182  0.54638953
   0.35250303  0.45890377  0.84536048
   0.44886712  0.45146566  0.66121553
   0.22480491  0.32946501  0.70443551
   0.25057255  0.20379443 -0.12813142
   0.02075541  0.11195502  0.94236144
   0.10351607  0.57184068  0.07396477
   0.39084625  0.69130218  0.28510240
   0.10695347  0.83902864  0.03386580
   0.35939377  0.95283102  0.34177595
   0.42231097  0.89767327  0.15895405
   0.18309550  0.82292042  0.22216292
   0.32751568  0.64047470  0.46530540
   0.07777133  0.59455306  0.40619921
   0.17699335  0.54918760  0.58192349
   0.34496670  0.71434462  0.76381270
   0.12022497  0.79226312  0.52803113
   0.41012821  0.98929840  0.79353762
   0.45213428  0.87830147  0.61777130
   0.20251328  0.92023104  0.67833217
   0.29498209  0.68507056 -0.03601143
   0.03924299  0.64185293  0.90414749
   0.63205768  0.04245160  0.10783678
   0.81594447  0.19590873  0.23970497
   0.60181277  0.28937425  0.04322125
   0.87843390  0.42949282  0.36449379
   0.02364027  0.35971945  0.18579087
   0.77938509  0.42291626  0.13947971
   0.70616320  0.14661994  0.39928082
   0.45700084  0.16575035  0.45590115
   0.63272268  0.06395245  0.57329893
   0.83352122  0.20392228  0.79740315
   0.62023462  0.32936060  0.53367394
   0.85777097  0.44994231  0.85261518
   0.97916000  0.45938582  0.67825463
   0.70687640  0.38392472  0.70022705
   0.75494792  0.09222969  0.95101576
   0.47515533  0.10245984  0.96041639
   0.56373274  0.55532064  0.08068440
   0.88064185  0.68732810  0.28514314
   0.61504816  0.80612270  0.04612678
   0.88853432  0.95418272  0.33792789
   0.92659512  0.87867316  0.16018074
   0.68066107  0.86540650  0.23487046
   0.81081737  0.65740065  0.44953624
   0.56064904  0.55945187  0.41164222
   0.64669043  0.58679397  0.58668729
   0.82472324  0.68775981  0.79214947
   0.59880614  0.80497143  0.44854240
   0.89712492  0.93352271  0.84003908
   0.93394701  0.82896173  0.65845678
   0.67419468  0.92923644  0.72502877
   0.77792906  0.63124677  0.98189751
   0.53274150  0.65546759  0.89002446
   0.71089049  0.78882193  0.58347277
   0.52665174  0.80594143  0.39542227
   0.90008155  0.18358057  0.07672283
   0.94751902  0.35719354  0.37752982
   0.37720114  0.10979946  0.64239602
   0.28474782  0.78592069  0.74568131
   0.19934179  1.11779135  0.17943731
   0.25460730  1.07905048  0.03156259
   0.64453725  0.34748750  0.87398873
   0.88102698  0.42481047  0.64956629
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935166    0.253652   -0.126472
    -0.000000    9.792608    0.079667
    -0.000000    0.000000   13.961619
   Si   O    H 
    32    64    10
Direct configuration=  2027
   0.16367985  0.16523674 -0.03681890
   0.35235919  0.11256349  0.37887321
   0.14109268  0.40717530  0.10499245
   0.38849505  0.34064746  0.24380925
   0.08208385  0.16633337  0.48714786
   0.39773277  0.12738227  0.85276148
   0.11592308  0.41114842  0.62766539
   0.37994223  0.37169004  0.74729501
   0.13171840  0.68771304 -0.00739782
   0.40190067  0.57527196  0.37427750
   0.08076079  0.90551069  0.14641743
   0.34053528  0.84319401  0.25512188
   0.16665788  0.64650141  0.49384067
   0.37747380  0.62821660  0.86067724
   0.06507180  0.89802237  0.61176875
   0.35724471  0.97865624  0.67740469
   0.62477294  0.12353985  1.00487839
   0.85109875  0.13011369  0.34209179
   0.61050775  0.40682784  0.12163235
   0.88106713  0.29125196  0.15842022
   0.61071463  0.17198130  0.49296050
   0.88393430  0.08737422  0.88085241
   0.60079201  0.43140917  0.61739639
   0.75557679  0.34497481  0.80833867
   0.61334620  0.66280172 -0.00791212
   0.91319363  0.58425541  0.37607720
   0.58580096  0.89674819  0.13702576
   0.84268310  0.84082490  0.25589597
   0.65943540  0.65215025  0.48139942
   0.88132469  0.60545646  0.88769119
   0.61963725  0.90444864  0.61529932
   0.82548798  0.84770863  0.75199178
   0.11074131  0.07162376  0.15960351
   0.34823167  0.19178718  0.27587436
   0.11761866  0.31383816  0.01569258
   0.35467316  0.43066360  0.34314120
   0.54688472  0.36047265  0.22259731
   0.28603828  0.39812664  0.15962966
   0.20880653  0.11431885  0.43518278
  -0.03135093  0.20164477  0.40085921
   0.02114449  0.03887143  0.55481291
   0.47215735  0.23460778  0.77461685
   0.09101995  0.30804787  0.54596851
   0.35338688  0.45900244  0.84589066
   0.44952184  0.45219903  0.66134607
   0.22607193  0.32976908  0.70492547
   0.25156442  0.20594920 -0.12854393
   0.02197713  0.11146749  0.94223492
   0.10582412  0.57234872  0.07286569
   0.39173389  0.69218549  0.28700158
   0.10645731  0.83868099  0.03426703
   0.35875902  0.95315879  0.34262399
   0.42373774  0.89567738  0.15945805
   0.18366263  0.82255156  0.22219665
   0.32815471  0.63913883  0.46516037
   0.07719775  0.59337084  0.40656107
   0.17653147  0.54837585  0.58182937
   0.34447695  0.71448304  0.76412212
   0.12029142  0.79230518  0.52620437
   0.40932516  0.98975857  0.79306632
   0.45461667  0.87850977  0.61886693
   0.20258540  0.92172579  0.67767683
   0.29570668  0.68362167 -0.03497976
   0.04021180  0.64059418  0.90353855
   0.63100868  0.04317833  0.10714994
   0.81708680  0.19659190  0.23883656
   0.60237581  0.29031372  0.04330041
   0.87797773  0.42860041  0.36512734
   0.02290365  0.35722857  0.18743282
   0.77828780  0.42087774  0.13980266
   0.70480112  0.14702409  0.39987421
   0.45729088  0.16508036  0.45732004
   0.63182173  0.06287069  0.57336996
   0.83500631  0.20390312  0.79677812
   0.61881223  0.32864337  0.53385031
   0.85753471  0.44957049  0.85190507
   0.97674704  0.45644471  0.67813528
   0.70701117  0.38364875  0.70136868
   0.75599039  0.09052197  0.95163732
   0.47512022  0.10159659  0.95850395
   0.56549800  0.55446108  0.08017545
   0.88038071  0.68956046  0.28447025
   0.61461152  0.80496470  0.04585876
   0.88676232  0.95427760  0.33810532
   0.92428376  0.87829723  0.15935959
   0.68105063  0.86736537  0.23477091
   0.81058665  0.65792315  0.44802592
   0.55946864  0.55992955  0.41120350
   0.64765480  0.58658795  0.58679872
   0.82395957  0.68923807  0.79253378
   0.59916840  0.80451450  0.45014772
   0.89754808  0.93391431  0.84041415
   0.93339840  0.82840522  0.65967947
   0.67529056  0.93110344  0.72490602
   0.77732621  0.63181259  0.98180968
   0.53101824  0.65688671  0.89047382
   0.71167754  0.78712467  0.58425137
   0.53607539  0.80336910  0.39678256
   0.89969403  0.18778543  0.07762787
   0.94647791  0.36055843  0.37310642
   0.38056549  0.10929144  0.64273784
   0.28532784  0.79468730  0.74638721
   0.19137805  1.11063419  0.17736862
   0.24294388  1.08039293  0.03129369
   0.65355157  0.34516269  0.87927455
   0.90280958  0.42138964  0.65550692
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933977    0.254552   -0.128395
    -0.000000    9.793690    0.079933
    -0.000000    0.000000   13.963546
   Si   O    H 
    32    64    10
Direct configuration=  2028
   0.16403425  0.16577549 -0.03657642
   0.35280375  0.11323033  0.37893152
   0.14137768  0.40742917  0.10480799
   0.38701496  0.34139314  0.24356868
   0.08055320  0.16676157  0.48726205
   0.39705675  0.12819125  0.85261043
   0.11480877  0.41264604  0.62773480
   0.37858858  0.37167941  0.74745209
   0.13223610  0.68949842 -0.00781368
   0.40141662  0.57635354  0.37356250
   0.08307893  0.90416888  0.14724574
   0.34041970  0.84321061  0.25495919
   0.16751262  0.64494066  0.49403201
   0.37614692  0.62912884  0.86104849
   0.06537466  0.89687830  0.61183193
   0.35850975  0.97742869  0.67697877
   0.62469392  0.12284580  1.00502188
   0.84986132  0.13007502  0.34192694
   0.61092377  0.40669956  0.12226901
   0.88119684  0.29337677  0.15818976
   0.61199583  0.17258196  0.49345106
   0.88360365  0.08719505  0.88098665
   0.60153565  0.43301115  0.61806493
   0.75585840  0.34545524  0.80738510
   0.61507139  0.66252369 -0.00855680
   0.91171332  0.58415805  0.37586668
   0.58563006  0.89607734  0.13723776
   0.84353929  0.83993532  0.25653605
   0.65946141  0.65240260  0.48108887
   0.88104735  0.60582677  0.88768689
   0.62030528  0.90448042  0.61563808
   0.82550586  0.84905959  0.75172551
   0.11027729  0.06959386  0.16171121
   0.34749824  0.19199249  0.27428122
   0.11666495  0.31621131  0.01639988
   0.35430914  0.43061821  0.34291154
   0.54795926  0.36054514  0.22101809
   0.28551989  0.39900506  0.16073048
   0.21128802  0.11462132  0.43402090
  -0.03293633  0.20068632  0.40070183
   0.02233972  0.03979382  0.55501336
   0.47151264  0.23439031  0.77516995
   0.09406405  0.30745226  0.54489777
   0.35475969  0.45908912  0.84632654
   0.45052185  0.45267994  0.66130700
   0.22759548  0.33123048  0.70526873
   0.25306282  0.20749964 -0.12934580
   0.02169300  0.11009176  0.94231895
   0.10793067  0.57194264  0.07204565
   0.39354027  0.69309012  0.28868985
   0.10574154  0.83772907  0.03444360
   0.35880488  0.95279205  0.34320434
   0.42484249  0.89373617  0.15995244
   0.18436969  0.82175234  0.22225065
   0.32878564  0.63843608  0.46529662
   0.07631083  0.59322741  0.40676518
   0.17616353  0.54852114  0.58195943
   0.34380848  0.71438566  0.76416233
   0.12041195  0.79242934  0.52523960
   0.40717015  0.99017088  0.79231587
   0.45744088  0.87783819  0.61981369
   0.20279972  0.92263419  0.67716915
   0.29661100  0.68190363 -0.03441026
   0.04051463  0.63933948  0.90314705
   0.63006324  0.04466525  0.10649150
   0.81803306  0.19670065  0.23825880
   0.60337428  0.29015317  0.04362827
   0.87675521  0.42794941  0.36548094
   0.02355257  0.35511371  0.18876006
   0.77657080  0.41921177  0.13985626
   0.70467479  0.14786044  0.40067494
   0.45792994  0.16434100  0.45896377
   0.63116250  0.06171511  0.57341456
   0.83680659  0.20395160  0.79635583
   0.61742450  0.32636381  0.53375422
   0.85858253  0.44986173  0.85192867
   0.97543860  0.45490900  0.67753851
   0.70653680  0.38349301  0.70205304
   0.75741752  0.08869912  0.95188155
   0.47492393  0.10042151  0.95676200
   0.56679188  0.55432236  0.07916549
   0.88064774  0.69014415  0.28370374
   0.61458806  0.80480299  0.04521376
   0.88501164  0.95467306  0.33813607
   0.92295611  0.87851934  0.15860287
   0.68142417  0.86899811  0.23447648
   0.81015567  0.65823452  0.44714966
   0.55942176  0.55968258  0.41054979
   0.64835439  0.58662079  0.58740738
   0.82255356  0.69170138  0.79235562
   0.59911412  0.80466625  0.45149422
   0.89762610  0.93420339  0.83993690
   0.93257590  0.82852297  0.66149660
   0.67671762  0.93183126  0.72519277
   0.77617113  0.63212127  0.98142227
   0.52933776  0.65850420  0.89139121
   0.71091977  0.78933552  0.58402216
   0.54414644  0.80198371  0.39791054
   0.89748224  0.19473688  0.08007807
   0.95008054  0.35796824  0.37125419
   0.38654525  0.11503993  0.64226711
   0.28546083  0.79681843  0.74507338
   0.19401037  1.10338986  0.17679617
   0.23108547  1.08384484  0.02608256
   0.65766025  0.34125260  0.88388692
   0.89939258  0.40340550  0.65371862
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932763    0.255205   -0.130278
    -0.000000    9.794989    0.080043
    -0.000000    0.000000   13.964895
   Si   O    H 
    32    64    10
Direct configuration=  2029
   0.16407445  0.16679939 -0.03626248
   0.35341604  0.11353525  0.37891133
   0.14170829  0.40842388  0.10497186
   0.38590404  0.34184679  0.24350716
   0.07856468  0.16743506  0.48762448
   0.39662689  0.12913976  0.85227837
   0.11441550  0.41349179  0.62784750
   0.37721400  0.37105422  0.74777514
   0.13361114  0.69085018 -0.00796733
   0.40145816  0.57779284  0.37296245
   0.08524494  0.90309471  0.14776771
   0.34038939  0.84304016  0.25493432
   0.16875830  0.64277493  0.49393861
   0.37489120  0.63026665  0.86112027
   0.06544848  0.89570458  0.61191155
   0.36008114  0.97684080  0.67661245
   0.62445963  0.12257333  1.00527016
   0.84823834  0.12913065  0.34132448
   0.61195519  0.40584989  0.12274365
   0.88158768  0.29529802  0.15799115
   0.61381235  0.17366268  0.49379534
   0.88347610  0.08753196  0.88126559
   0.60226200  0.43488915  0.61885387
   0.75575556  0.34621891  0.80654072
   0.61683077  0.66186471 -0.00905386
   0.91050762  0.58455326  0.37530240
   0.58567687  0.89558060  0.13795852
   0.84438619  0.83925619  0.25689957
   0.65917154  0.65249651  0.48051353
   0.88054677  0.60664974  0.88789527
   0.62051977  0.90375478  0.61613491
   0.82569302  0.84987327  0.75157543
   0.10933608  0.06730067  0.16398571
   0.34749817  0.19236731  0.27254686
   0.11617974  0.31778007  0.01642160
   0.35400661  0.43012625  0.34202238
   0.54901637  0.36103475  0.21928936
   0.28543490  0.39951377  0.16118518
   0.21363765  0.11614848  0.43299178
  -0.03380750  0.19931985  0.40057051
   0.02370535  0.04071002  0.55516177
   0.47024822  0.23548249  0.77530869
   0.09714711  0.30561805  0.54386264
   0.35663465  0.45951989  0.84678618
   0.45157190  0.45280600  0.66095545
   0.22874212  0.33353762  0.70557553
   0.25432677  0.20869316 -0.12987932
   0.02084511  0.10741298  0.94225843
   0.11006171  0.57161674  0.07122179
   0.39573119  0.69404100  0.28934821
   0.10558503  0.83764667  0.03489663
   0.35877462  0.95249281  0.34416672
   0.42525488  0.89249036  0.16054094
   0.18492276  0.82131484  0.22189426
   0.32850628  0.63771774  0.46559624
   0.07521888  0.59231483  0.40719853
   0.17525355  0.54875550  0.58245833
   0.34293425  0.71380237  0.76440079
   0.11975690  0.79240291  0.52454383
   0.40468511  0.99081773  0.79146576
   0.46026621  0.87669720  0.61994825
   0.20230122  0.92392423  0.67668503
   0.29771979  0.67997676 -0.03355066
   0.04001168  0.63828152  0.90254275
   0.62907738  0.04604278  0.10627210
   0.81838553  0.19725966  0.23776613
   0.60325156  0.28868156  0.04349677
   0.87592525  0.42801213  0.36588704
   0.02464612  0.35352120  0.19020518
   0.77399599  0.41736448  0.13968901
   0.70381303  0.14907425  0.40117433
   0.45795947  0.16415407  0.46014319
   0.63041112  0.06097886  0.57434607
   0.83932656  0.20344783  0.79617984
   0.61533099  0.32488610  0.53420799
   0.85928428  0.45055145  0.85254560
   0.97377680  0.45388590  0.67675073
   0.70644631  0.38361104  0.70323601
   0.75835290  0.08671506  0.95244892
   0.47537723  0.09976938  0.95494103
   0.56830660  0.55456427  0.07885344
   0.88198224  0.68923058  0.28273223
   0.61477505  0.80447733  0.04450416
   0.88287717  0.95583237  0.33796298
   0.92127695  0.87835725  0.15775417
   0.68163582  0.87100975  0.23400808
   0.80991437  0.65887258  0.44699911
   0.55941006  0.55955473  0.40992475
   0.64881843  0.58781135  0.58816456
   0.82055948  0.69304916  0.79171197
   0.59889759  0.80493743  0.45309800
   0.89706582  0.93512101  0.83897031
   0.93158985  0.82889345  0.66317814
   0.67826488  0.93159202  0.72607841
   0.77633198  0.63151477  0.98092572
   0.52856886  0.66008235  0.89210422
   0.70843095  0.79754704  0.58514782
   0.54623138  0.80439800  0.39101660
   0.89638893  0.19835668  0.08206393
   0.95347112  0.35309666  0.37114903
   0.38776314  0.12182450  0.64010039
   0.29080630  0.79380862  0.74739428
   0.20248409  1.10049748  0.17747396
   0.22803566  1.08032849  0.02344083
   0.65941282  0.33639886  0.88665924
   0.89134196  0.38512214  0.65242076
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931036    0.255830   -0.132671
    -0.000000    9.796743    0.080478
    -0.000000    0.000000   13.966276
   Si   O    H 
    32    64    10
Direct configuration=  2030
   0.16382152  0.16823473 -0.03603233
   0.35401832  0.11339161  0.37873540
   0.14108467  0.40953682  0.10535269
   0.38527457  0.34258378  0.24322933
   0.07611517  0.16773437  0.48804530
   0.39697041  0.13022004  0.85254609
   0.11416397  0.41414778  0.62817738
   0.37530143  0.37035968  0.74805111
   0.13546234  0.69211851 -0.00816430
   0.40164961  0.57855093  0.37263059
   0.08668268  0.90114117  0.14812390
   0.34039509  0.84254329  0.25505986
   0.16994264  0.64137929  0.49369630
   0.37373462  0.63063423  0.86143607
   0.06576706  0.89398505  0.61199319
   0.36169813  0.97651833  0.67631060
   0.62385166  0.12320379  1.00529650
   0.84689691  0.12775129  0.34053969
   0.61287589  0.40558516  0.12309312
   0.88166960  0.29720689  0.15812544
   0.61489188  0.17432112  0.49371061
   0.88335822  0.08764646  0.88167288
   0.60315456  0.43637239  0.61947120
   0.75611610  0.34633156  0.80634950
   0.61885663  0.66056915 -0.00946915
   0.90929482  0.58517077  0.37499582
   0.58585947  0.89497472  0.13887151
   0.84485493  0.83943874  0.25731375
   0.65831994  0.65227230  0.48034954
   0.88015942  0.60783911  0.88827399
   0.62070645  0.90378619  0.61658565
   0.82610483  0.85079805  0.75168319
   0.10841151  0.06509157  0.16559561
   0.34764275  0.19266306  0.27123823
   0.11600165  0.31861417  0.01547130
   0.35377178  0.42924118  0.34097632
   0.54877887  0.36168398  0.21748346
   0.28507772  0.40030645  0.16130680
   0.21640449  0.11803316  0.43240521
  -0.03404530  0.19777340  0.40083508
   0.02471265  0.04147731  0.55499549
   0.46894590  0.23653191  0.77625105
   0.10011680  0.30369672  0.54256075
   0.35833868  0.46032621  0.84721229
   0.45256208  0.45245818  0.66062507
   0.22909020  0.33651572  0.70558821
   0.25482205  0.20980888 -0.12984538
   0.01905605  0.10542063  0.94151262
   0.11270340  0.57057952  0.07059753
   0.39751087  0.69399995  0.28949298
   0.10502054  0.83786671  0.03565555
   0.35867990  0.95205780  0.34504855
   0.42639060  0.89137373  0.16131119
   0.18572145  0.82044023  0.22122621
   0.32813261  0.63699004  0.46592420
   0.07457462  0.59164030  0.40778960
   0.17458324  0.54880333  0.58314196
   0.34100509  0.71328946  0.76398923
   0.11870624  0.79237982  0.52438763
   0.40202641  0.99153847  0.79061370
   0.46243507  0.87454041  0.62011658
   0.20220911  0.92451344  0.67630843
   0.29864790  0.67838951 -0.03258371
   0.03916868  0.63714838  0.90211386
   0.62856192  0.04697379  0.10562222
   0.81768589  0.19683967  0.23783003
   0.60365856  0.28653218  0.04305917
   0.87523398  0.42748393  0.36622082
   0.02620045  0.35292250  0.19074977
   0.77120244  0.41580515  0.13885532
   0.70419655  0.15004550  0.40186371
   0.45722693  0.16362442  0.46066096
   0.62974017  0.06016380  0.57528348
   0.84160341  0.20278517  0.79563867
   0.61356635  0.32400124  0.53428773
   0.86080647  0.45182744  0.85287520
   0.97124077  0.45304286  0.67539684
   0.70629076  0.38411192  0.70470609
   0.75905028  0.08540941  0.95261055
   0.47534936  0.09874576  0.95270330
   0.56925484  0.55530804  0.07865400
   0.88299634  0.68850294  0.28260048
   0.61540450  0.80420820  0.04386292
   0.88093250  0.95740710  0.33795843
   0.91968938  0.87821773  0.15619547
   0.68181928  0.87223246  0.23319052
   0.80987534  0.65943962  0.44716254
   0.55832389  0.55929253  0.40935446
   0.64984712  0.58881257  0.58821453
   0.81953431  0.69391270  0.79159983
   0.59805676  0.80614778  0.45426910
   0.89650301  0.93619348  0.83720249
   0.93118938  0.83011276  0.66548108
   0.67994873  0.93097422  0.72723774
   0.77698119  0.63122908  0.98026557
   0.52837787  0.66108467  0.89298992
   0.70953799  0.80099198  0.58476176
   0.54944401  0.80708391  0.38628255
   0.89581423  0.19939538  0.08245556
   0.95321803  0.35413191  0.37258523
   0.38374945  0.12480781  0.63754979
   0.29323503  0.79250654  0.75023526
   0.20495879  1.09611981  0.17764901
   0.23097207  1.07085617  0.02609317
   0.66186247  0.33323920  0.88657143
   0.89608414  0.37919265  0.65336423
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929513    0.256234   -0.134849
    -0.000000    9.798599    0.080433
    -0.000000    0.000000   13.967393
   Si   O    H 
    32    64    10
Direct configuration=  2031
   0.16304448  0.17006141 -0.03552745
   0.35437684  0.11280226  0.37860607
   0.14022685  0.41113922  0.10581328
   0.38509417  0.34386703  0.24263975
   0.07370476  0.16810895  0.48856520
   0.39751132  0.13145407  0.85280259
   0.11381675  0.41462805  0.62864016
   0.37340689  0.37018350  0.74864588
   0.13719448  0.69330113 -0.00896567
   0.40145802  0.57879739  0.37256105
   0.08774278  0.89918011  0.14752002
   0.34112709  0.84234153  0.25494509
   0.17055823  0.63990268  0.49350887
   0.37269308  0.63111819  0.86187157
   0.06596000  0.89221920  0.61204672
   0.36350380  0.97651615  0.67624142
   0.62335500  0.12370609  1.00470310
   0.84517525  0.12668892  0.33980560
   0.61383208  0.40547604  0.12232014
   0.88178704  0.29943563  0.15800477
   0.61578445  0.17474124  0.49360397
   0.88305835  0.08816381  0.88180072
   0.60364543  0.43771474  0.61970651
   0.75649336  0.34586193  0.80644676
   0.62002167  0.65910437 -0.00970033
   0.90814222  0.58548210  0.37499659
   0.58602548  0.89551560  0.13933331
   0.84535806  0.84051585  0.25747203
   0.65672506  0.65234751  0.48005272
   0.87962932  0.60861235  0.88905979
   0.62078229  0.90391816  0.61726573
   0.82654871  0.85217781  0.75171965
   0.10754651  0.06362658  0.16711537
   0.34806133  0.19186502  0.26997039
   0.11640983  0.31941049  0.01438460
   0.35287464  0.42846162  0.33999468
   0.54723861  0.36174073  0.21628158
   0.28466833  0.40062283  0.16139101
   0.21892626  0.11920240  0.43194977
  -0.03387747  0.19617846  0.40146816
   0.02562769  0.04225683  0.55533257
   0.46730823  0.23653777  0.77769378
   0.10291967  0.30152157  0.54110755
   0.36013301  0.46200388  0.84839731
   0.45292429  0.45249381  0.66042402
   0.22892594  0.33957418  0.70541649
   0.25465004  0.21017155 -0.13040699
   0.01780601  0.10422927  0.94117964
   0.11462974  0.56939568  0.07019030
   0.39957736  0.69410768  0.28946138
   0.10440940  0.83861995  0.03653810
   0.35863835  0.95061070  0.34566534
   0.42739287  0.88967563  0.16169407
   0.18766285  0.81920252  0.22077843
   0.32742957  0.63603898  0.46642620
   0.07395134  0.59113321  0.40785604
   0.17518207  0.54770542  0.58393757
   0.33938837  0.71130678  0.76370131
   0.11780040  0.79247217  0.52458420
   0.39853376  0.99315746  0.78959135
   0.46384323  0.87235207  0.62033518
   0.20231573  0.92469479  0.67653428
   0.29889394  0.67727737 -0.03240999
   0.03799073  0.63594042  0.90218503
   0.62845140  0.04672532  0.10577401
   0.81728204  0.19650486  0.23830943
   0.60448055  0.28361057  0.04235883
   0.87496655  0.42765239  0.36605767
   0.02842090  0.35316898  0.19091107
   0.76870278  0.41396155  0.13784366
   0.70445943  0.15178308  0.40260127
   0.45686917  0.16315625  0.46067284
   0.62888327  0.05869165  0.57601312
   0.84368241  0.20166180  0.79518164
   0.61234687  0.32354383  0.53478835
   0.86153916  0.45253342  0.85343327
   0.96748736  0.45219683  0.67417041
   0.70596106  0.38492947  0.70561868
   0.75948015  0.08399308  0.95290575
   0.47555701  0.09814085  0.95020547
   0.56955902  0.55620465  0.07890175
   0.88438518  0.68758109  0.28279223
   0.61527059  0.80365731  0.04383732
   0.87923147  0.95876764  0.33770423
   0.91909425  0.87815332  0.15488820
   0.68225066  0.87276694  0.23231247
   0.80955718  0.66079736  0.44758974
   0.55739539  0.55887063  0.40911658
   0.65021015  0.58878411  0.58802764
   0.81955067  0.69482016  0.79197707
   0.59638541  0.80752641  0.45494955
   0.89595778  0.93712941  0.83589762
   0.93024844  0.83209796  0.66729156
   0.68212895  0.93041247  0.72837958
   0.77764102  0.63049968  0.97992357
   0.52874717  0.66087768  0.89391721
   0.71388436  0.80323855  0.58259807
   0.55521476  0.80964391  0.38974204
   0.89266343  0.20196783  0.07891346
   0.94595651  0.35837754  0.37442005
   0.37940749  0.12108814  0.63661115
   0.29026348  0.79945727  0.75352508
   0.20004207  1.08824930  0.17646897
   0.23295052  1.06084663  0.02792050
   0.66367851  0.33396829  0.88380571
   0.91409454  0.38438732  0.65827834
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927748    0.255919   -0.136594
    -0.000000    9.800193    0.079942
    -0.000000    0.000000   13.968910
   Si   O    H 
    32    64    10
Direct configuration=  2032
   0.16221384  0.17178435 -0.03540896
   0.35502107  0.11205987  0.37856736
   0.13894626  0.41304350  0.10641908
   0.38534793  0.34526636  0.24263158
   0.07160899  0.16783801  0.48860231
   0.39850846  0.13211464  0.85286022
   0.11391987  0.41531608  0.62961575
   0.37211284  0.37015572  0.74927606
   0.13848771  0.69419132 -0.00942532
   0.40100524  0.57943356  0.37300319
   0.08786859  0.89715985  0.14668837
   0.34192634  0.84222567  0.25518980
   0.17100571  0.63890188  0.49338893
   0.37235294  0.63169605  0.86270111
   0.06682146  0.89044126  0.61248149
   0.36476292  0.97761529  0.67586495
   0.62302485  0.12422791  1.00407500
   0.84308936  0.12611894  0.33885007
   0.61491156  0.40499438  0.12124295
   0.88216899  0.30065152  0.15807168
   0.61619638  0.17534043  0.49369037
   0.88213299  0.08865064  0.88178258
   0.60435556  0.43890181  0.61997262
   0.75697583  0.34552280  0.80686668
   0.62082400  0.65754928 -0.00918996
   0.90696994  0.58642271  0.37520721
   0.58692687  0.89576073  0.13987349
   0.84606453  0.84191583  0.25739075
   0.65566862  0.65271953  0.47993470
   0.87852956  0.60992664  0.88936846
   0.62051412  0.90439474  0.61796248
   0.82637690  0.85440669  0.75176554
   0.10649034  0.06280374  0.16816664
   0.34806380  0.19096213  0.26920391
   0.11687444  0.31956713  0.01273932
   0.35210505  0.42797604  0.33908844
   0.54574269  0.36149954  0.21593113
   0.28427251  0.40066368  0.16135876
   0.22016091  0.12096653  0.43209918
  -0.03329006  0.19402488  0.40232152
   0.02611370  0.04279253  0.55564764
   0.46641531  0.23689737  0.77884595
   0.10559074  0.29992645  0.54048683
   0.36158469  0.46451594  0.84928138
   0.45338840  0.45254674  0.66021725
   0.22813387  0.34239828  0.70493120
   0.25394305  0.21029417 -0.13093169
   0.01739407  0.10374630  0.94119178
   0.11667656  0.56809794  0.06988670
   0.40106713  0.69408591  0.28866471
   0.10375582  0.83935434  0.03798334
   0.35865508  0.94896692  0.34631643
   0.42886647  0.88802054  0.16233161
   0.18884814  0.81772309  0.22064724
   0.32606478  0.63580648  0.46645016
   0.07313513  0.59053703  0.40777964
   0.17560005  0.54660695  0.58538773
   0.33727327  0.70863565  0.76333938
   0.11705849  0.79211002  0.52483203
   0.39478711  0.99459296  0.78881457
   0.46459142  0.87040981  0.62087881
   0.20180812  0.92505885  0.67615886
   0.29971842  0.67596063 -0.03252779
   0.03649525  0.63488449  0.90231492
   0.62896997  0.04639548  0.10571155
   0.81650297  0.19634342  0.23830064
   0.60635322  0.28123548  0.04207303
   0.87421589  0.42778139  0.36563617
   0.03072661  0.35333525  0.19060699
   0.76847473  0.41306460  0.13734879
   0.70539886  0.15398951  0.40349515
   0.45639617  0.16276483  0.46017437
   0.62846856  0.05752818  0.57686889
   0.84587291  0.20034692  0.79499856
   0.61118023  0.32266133  0.53529682
   0.86147484  0.45275161  0.85482370
   0.96464750  0.45246267  0.67371417
   0.70514103  0.38616491  0.70600353
   0.75913035  0.08274893  0.95352200
   0.47628197  0.09827006  0.94839637
   0.56921112  0.55719650  0.07895591
   0.88538878  0.68688553  0.28285179
   0.61475648  0.80408223  0.04380553
   0.87759848  0.95981127  0.33752851
   0.91879889  0.87755384  0.15421824
   0.68273724  0.87361142  0.23150169
   0.80987997  0.66208765  0.44800721
   0.55779279  0.55833639  0.40903118
   0.65099701  0.58889070  0.58787198
   0.81934919  0.69578365  0.79256219
   0.59338729  0.81053804  0.45591794
   0.89505001  0.93872761  0.83404853
   0.92986622  0.83317947  0.66930778
   0.68376271  0.92993027  0.72880618
   0.77901348  0.63020436  0.97990450
   0.52912763  0.66018149  0.89477190
   0.71990801  0.80382293  0.58028933
   0.56096857  0.81175713  0.39319026
   0.89092183  0.20370214  0.07405773
   0.94119011  0.36129953  0.37705171
   0.37619282  0.11783785  0.63485788
   0.28768943  0.80301248  0.75572897
   0.19663633  1.08506880  0.17672376
   0.23273282  1.05744939  0.02428902
   0.66149117  0.33589980  0.88256507
   0.91546119  0.37575296  0.65756717
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926139    0.255774   -0.137983
    -0.000000    9.801946    0.079282
    -0.000000    0.000000   13.970274
   Si   O    H 
    32    64    10
Direct configuration=  2033
   0.16144220  0.17344258 -0.03533489
   0.35540417  0.11134345  0.37841372
   0.13776740  0.41475283  0.10731629
   0.38552235  0.34713003  0.24313754
   0.06975546  0.16681271  0.48882959
   0.39922844  0.13274719  0.85242604
   0.11381874  0.41536601  0.62989705
   0.37082222  0.36989526  0.74975200
   0.13974778  0.69467536 -0.00971337
   0.40044082  0.57976976  0.37316431
   0.08811328  0.89473395  0.14589364
   0.34283630  0.84231346  0.25558521
   0.17117440  0.63855552  0.49303010
   0.37184755  0.63218785  0.86345842
   0.06711946  0.88975544  0.61312927
   0.36507471  0.97869131  0.67540635
   0.62237861  0.12533326  1.00332816
   0.84068601  0.12554635  0.33814907
   0.61541813  0.40440368  0.11996615
   0.88259423  0.30068625  0.15843538
   0.61647021  0.17622062  0.49406331
   0.88145100  0.08891668  0.88203553
   0.60523324  0.43942763  0.61971300
   0.75801348  0.34453419  0.80756281
   0.62132069  0.65597387 -0.00883694
   0.90670364  0.58680267  0.37479349
   0.58782265  0.89631400  0.14012258
   0.84706566  0.84306213  0.25732161
   0.65482406  0.65323453  0.47916859
   0.87704563  0.61140009  0.88953888
   0.62009098  0.90527260  0.61858201
   0.82578027  0.85656783  0.75225992
   0.10524712  0.06164739  0.16879552
   0.34758513  0.19014006  0.26877327
   0.11775936  0.31943875  0.01097378
   0.35143181  0.42772243  0.33784329
   0.54306591  0.36182224  0.21590038
   0.28337504  0.40154980  0.16118543
   0.22012810  0.12341678  0.43262606
  -0.03337353  0.19151965  0.40324411
   0.02662668  0.04143561  0.55629862
   0.46607749  0.23713690  0.78019750
   0.10759862  0.29926072  0.54023802
   0.36230869  0.46698317  0.85072317
   0.45446402  0.45259072  0.66020552
   0.22667235  0.34511260  0.70321398
   0.25313916  0.20913180 -0.13077830
   0.01765914  0.10388519  0.94066293
   0.11829332  0.56746966  0.06981355
   0.40148505  0.69341435  0.28762558
   0.10332906  0.84023098  0.03901588
   0.35874101  0.94719283  0.34675833
   0.42919656  0.88674354  0.16382340
   0.18936773  0.81600763  0.22132977
   0.32463992  0.63596885  0.46662534
   0.07301721  0.58916649  0.40781179
   0.17652706  0.54499740  0.58679534
   0.33513899  0.70631493  0.76258594
   0.11642859  0.79214998  0.52517065
   0.39153951  0.99608076  0.78854241
   0.46459038  0.86855144  0.62134213
   0.20141166  0.92586610  0.67591056
   0.30020845  0.67500344 -0.03291973
   0.03496554  0.63409644  0.90306397
   0.62986925  0.04656787  0.10598359
   0.81589237  0.19580856  0.23807178
   0.60802693  0.27891572  0.04139577
   0.87235078  0.42848785  0.36492880
   0.03278055  0.35254631  0.18998572
   0.76973024  0.41243471  0.13737564
   0.70696392  0.15599048  0.40376021
   0.45617569  0.16178955  0.45941747
   0.62826336  0.05727725  0.57818374
   0.84748974  0.19987514  0.79488925
   0.61095986  0.32236746  0.53617498
   0.86191506  0.45253265  0.85634463
   0.96288398  0.45303888  0.67346059
   0.70533701  0.38681426  0.70610776
   0.75802811  0.08258636  0.95376574
   0.47751304  0.09736045  0.94685658
   0.56894934  0.55818007  0.07893922
   0.88679613  0.68594412  0.28330411
   0.61439826  0.80421479  0.04391200
   0.87651634  0.96082890  0.33797636
   0.91808166  0.87609780  0.15391247
   0.68307416  0.87420261  0.23107278
   0.80990100  0.66350849  0.44852519
   0.55905816  0.55837701  0.40876364
   0.65152001  0.58798671  0.58830769
   0.81915840  0.69731324  0.79284059
   0.59057872  0.81290191  0.45689124
   0.89454555  0.94055149  0.83219684
   0.93081500  0.83483091  0.67066296
   0.68554836  0.92971582  0.72852263
   0.78003604  0.62984323  0.97937647
   0.52960745  0.65897794  0.89516758
   0.72526082  0.80674242  0.57811410
   0.55966070  0.81437672  0.38802091
   0.89002291  0.20801305  0.07239460
   0.94798466  0.35777217  0.37620428
   0.37619114  0.11055902  0.63404491
   0.28694962  0.79617735  0.75674585
   0.20048513  1.08646613  0.17775392
   0.23192101  1.05679636  0.02007989
   0.65685709  0.33592520  0.88121972
   0.90738171  0.36218953  0.65517242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924928    0.255852   -0.138923
    -0.000000    9.803933    0.078525
    -0.000000    0.000000   13.971992
   Si   O    H 
    32    64    10
Direct configuration=  2034
   0.16088947  0.17495809 -0.03516671
   0.35570478  0.11032747  0.37815429
   0.13664886  0.41608265  0.10818847
   0.38558530  0.34798558  0.24391066
   0.06834353  0.16631101  0.48883913
   0.39961269  0.13297773  0.85186327
   0.11286636  0.41496717  0.63041474
   0.36939633  0.36972661  0.75051741
   0.14086215  0.69464178 -0.00973754
   0.40029369  0.57996368  0.37342644
   0.08762346  0.89269529  0.14550931
   0.34349512  0.84351047  0.25655943
   0.17101203  0.63879372  0.49268388
   0.37127742  0.63261962  0.86415455
   0.06742967  0.89003975  0.61358012
   0.36385330  0.97998928  0.67490148
   0.62137124  0.12598312  1.00301818
   0.83797407  0.12482167  0.33733377
   0.61558584  0.40456365  0.11884429
   0.88325369  0.30041772  0.15859448
   0.61682897  0.17672608  0.49463214
   0.88055710  0.08901599  0.88243398
   0.60567323  0.43993560  0.61940525
   0.75943317  0.34361840  0.80816818
   0.62162542  0.65424204 -0.00842525
   0.90672581  0.58710165  0.37471447
   0.58834826  0.89681702  0.14015923
   0.84728455  0.84501266  0.25686252
   0.65366843  0.65393680  0.47825645
   0.87576989  0.61242599  0.88966591
   0.62007461  0.90599672  0.61898610
   0.82484618  0.85849049  0.75308293
   0.10401778  0.05981696  0.16951967
   0.34678227  0.18890312  0.26902589
   0.11860444  0.31909458  0.01018153
   0.35145668  0.42774064  0.33703903
   0.54041537  0.36195368  0.21583027
   0.28263578  0.40165568  0.16058451
   0.21905684  0.12570615  0.43343705
  -0.03354479  0.18866317  0.40366031
   0.02659996  0.03960139  0.55672751
   0.46555109  0.23733583  0.78107101
   0.10942888  0.29908584  0.54080561
   0.36314922  0.46986151  0.85117181
   0.45535988  0.45251519  0.65977772
   0.22520242  0.34785372  0.70131623
   0.25247301  0.20779368 -0.13036111
   0.01804475  0.10380797  0.93992315
   0.11953397  0.56754031  0.06983605
   0.40172159  0.69165652  0.28679997
   0.10304937  0.84149688  0.04007082
   0.35912607  0.94554104  0.34667023
   0.43009800  0.88645902  0.16566067
   0.18942410  0.81473689  0.22158860
   0.32358818  0.63629804  0.46633633
   0.07286318  0.58838697  0.40757478
   0.17746673  0.54388311  0.58798450
   0.33304317  0.70363148  0.76208092
   0.11539539  0.79180834  0.52597259
   0.38872846  0.99716476  0.78857033
   0.46445262  0.86671864  0.62237917
   0.20209061  0.92619097  0.67535011
   0.30007420  0.67488835 -0.03353135
   0.03376109  0.63396531  0.90395300
   0.63022389  0.04693316  0.10643713
   0.81503898  0.19485797  0.23744670
   0.60928686  0.27746661  0.04097161
   0.87057663  0.42919673  0.36420042
   0.03395303  0.35164178  0.18935183
   0.77120404  0.41190492  0.13818645
   0.70841956  0.15794599  0.40371900
   0.45605436  0.16098716  0.45837635
   0.62856637  0.05671754  0.57918256
   0.84805176  0.19932977  0.79509700
   0.61069447  0.32167284  0.53740483
   0.86328054  0.45213300  0.85760503
   0.96080091  0.45252509  0.67301969
   0.70560297  0.38756542  0.70545115
   0.75708665  0.08273125  0.95411319
   0.47935170  0.09623828  0.94609109
   0.56834196  0.55854277  0.07925211
   0.88882563  0.68523190  0.28318513
   0.61377475  0.80437072  0.04445796
   0.87656531  0.96174453  0.33850792
   0.91778634  0.87493127  0.15406998
   0.68334765  0.87389646  0.23074628
   0.81035356  0.66454716  0.44912945
   0.55922034  0.55909521  0.40814469
   0.65230537  0.58791738  0.58840547
   0.81920375  0.69935713  0.79284347
   0.58936164  0.81486242  0.45728707
   0.89432882  0.94179277  0.83071198
   0.93270499  0.83651741  0.67138941
   0.68644811  0.92951027  0.72784657
   0.78130372  0.63051956  0.97826266
   0.53007035  0.65758427  0.89550882
   0.72656551  0.81050664  0.57839672
   0.56045602  0.81962712  0.38591512
   0.89236453  0.21706088  0.07081093
   0.94971872  0.35859937  0.37554396
   0.37701580  0.10860080  0.63200998
   0.28731895  0.78679230  0.75652964
   0.19843824  1.09151482  0.18103245
   0.23436054  1.05913737  0.01442991
   0.64909989  0.33476435  0.87933553
   0.90730931  0.36162743  0.65625350
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923622    0.256178   -0.139249
    -0.000000    9.805956    0.077422
    -0.000000    0.000000   13.973130
   Si   O    H 
    32    64    10
Direct configuration=  2035
   0.16010595  0.17591370 -0.03506231
   0.35585083  0.10874812  0.37784660
   0.13541485  0.41721206  0.10904151
   0.38507720  0.34828279  0.24458730
   0.06750168  0.16554467  0.48861144
   0.39976203  0.13241928  0.85145578
   0.11238413  0.41410148  0.63083609
   0.36827296  0.36910519  0.75113032
   0.14120647  0.69461237 -0.00970417
   0.40055994  0.58029602  0.37359872
   0.08631022  0.89092406  0.14577217
   0.34444052  0.84432036  0.25736839
   0.16994037  0.63928197  0.49291666
   0.37123852  0.63230580  0.86498736
   0.06770175  0.89042791  0.61409216
   0.36255231  0.98036821  0.67400941
   0.62059504  0.12658498  1.00279435
   0.83536256  0.12423005  0.33690923
   0.61563779  0.40430349  0.11764014
   0.88427923  0.29980405  0.15884725
   0.61614900  0.17722315  0.49512829
   0.87985556  0.08850963  0.88255775
   0.60594214  0.44007877  0.61906396
   0.76093622  0.34306470  0.80900240
   0.62115202  0.65295575 -0.00779697
   0.90712722  0.58749654  0.37463111
   0.58873485  0.89719278  0.14005298
   0.84695068  0.84665751  0.25591273
   0.65234817  0.65467565  0.47736709
   0.87431292  0.61314556  0.88989665
   0.62092356  0.90610883  0.61970506
   0.82407176  0.85988021  0.75449367
   0.10305391  0.05817785  0.17028194
   0.34622682  0.18732073  0.26970213
   0.11981708  0.31977592  0.00911358
   0.35089446  0.42761728  0.33743539
   0.53753508  0.36247238  0.21567773
   0.28283510  0.40089664  0.15980991
   0.21727855  0.12816477  0.43475707
  -0.03428603  0.18605576  0.40343186
   0.02626362  0.03780196  0.55711149
   0.46497742  0.23763438  0.78136774
   0.11112845  0.29903566  0.54161153
   0.36437587  0.47268731  0.85151753
   0.45558727  0.45188434  0.66034614
   0.22395514  0.35088189  0.69966668
   0.25141366  0.20769585 -0.12968730
   0.01885786  0.10376895  0.93957870
   0.12034432  0.56829254  0.07017506
   0.40169449  0.69020823  0.28573290
   0.10276085  0.84232222  0.04089620
   0.35944415  0.94409045  0.34643993
   0.43121675  0.88676725  0.16729296
   0.18963793  0.81360550  0.22220280
   0.32312451  0.63622337  0.46603874
   0.07235095  0.58711397  0.40746873
   0.17792619  0.54290609  0.58881156
   0.33215278  0.70085988  0.76145464
   0.11358825  0.79184515  0.52631425
   0.38753635  0.99813417  0.78856453
   0.46394610  0.86443763  0.62346411
   0.20341632  0.92575094  0.67456770
   0.30007337  0.67509069 -0.03379245
   0.03344506  0.63391976  0.90549468
   0.63034768  0.04684871  0.10690042
   0.81443181  0.19486174  0.23675427
   0.61011744  0.27765527  0.04056813
   0.86877528  0.42997611  0.36315393
   0.03446431  0.35096594  0.18889288
   0.77271651  0.41137175  0.13887479
   0.70986366  0.16002082  0.40397806
   0.45597072  0.16021899  0.45774450
   0.62872075  0.05602964  0.57944953
   0.84798134  0.19857535  0.79504014
   0.61047248  0.32239661  0.53870745
   0.86415441  0.45122167  0.85835608
   0.95957705  0.45003064  0.67256075
   0.70551147  0.38824638  0.70471183
   0.75590762  0.08288906  0.95426193
   0.48209211  0.09450625  0.94524518
   0.56832385  0.55907798  0.07926263
   0.89077716  0.68497832  0.28258037
   0.61350198  0.80315057  0.04463468
   0.87646357  0.96217356  0.33827843
   0.91749305  0.87407245  0.15406892
   0.68401535  0.87372396  0.23129956
   0.81036802  0.66523980  0.44930814
   0.55928592  0.55951907  0.40777701
   0.65425314  0.58847311  0.58832009
   0.81917775  0.70091555  0.79220393
   0.58831226  0.81595839  0.45758269
   0.89474219  0.94333518  0.82986531
   0.93551419  0.83811188  0.67208905
   0.68715202  0.93013309  0.72734300
   0.78313701  0.63036644  0.97769305
   0.53087457  0.65786533  0.89664931
   0.72174522  0.81246182  0.58021534
   0.56103085  0.82518682  0.38935387
   0.89550524  0.22723464  0.06903378
   0.94370812  0.36629893  0.37354922
   0.37692738  0.11180084  0.62591391
   0.28189824  0.78606179  0.75595465
   0.19413778  1.09220098  0.18425225
   0.23772419  1.06526296  0.01030466
   0.64014225  0.33290931  0.87750931
   0.91142771  0.37430966  0.65895214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922578    0.256061   -0.139711
    -0.000000    9.807927    0.076521
    -0.000000    0.000000   13.974082
   Si   O    H 
    32    64    10
Direct configuration=  2036
   0.15922471  0.17599173 -0.03517764
   0.35542221  0.10723709  0.37770106
   0.13450994  0.41797936  0.10958253
   0.38428136  0.34829471  0.24471558
   0.06746398  0.16419379  0.48850919
   0.39974995  0.13197773  0.85056784
   0.11184909  0.41320863  0.63108732
   0.36708306  0.36881981  0.75167153
   0.14109679  0.69422840 -0.00973946
   0.40078218  0.58023065  0.37378588
   0.08497420  0.88912722  0.14613829
   0.34494476  0.84419686  0.25779634
   0.16878423  0.63968196  0.49366792
   0.37191084  0.63166793  0.86599227
   0.06812670  0.89068537  0.61424243
   0.36127131  0.98094738  0.67347410
   0.61987637  0.12746412  1.00301110
   0.83317258  0.12321501  0.33709734
   0.61561584  0.40421323  0.11655428
   0.88547262  0.29918255  0.15916946
   0.61488347  0.17717954  0.49552712
   0.87919592  0.08824932  0.88249518
   0.60628829  0.44040124  0.61896897
   0.76264840  0.34294507  0.80997681
   0.62091092  0.65164842 -0.00712739
   0.90815223  0.58778785  0.37446357
   0.58868446  0.89781662  0.13940261
   0.84643853  0.84808493  0.25493053
   0.65079345  0.65541863  0.47706137
   0.87350554  0.61390642  0.88976041
   0.62127741  0.90538417  0.62036915
   0.82293690  0.86050162  0.75598937
   0.10220839  0.05680289  0.17044462
   0.34615638  0.18589970  0.27064828
   0.12100322  0.32127329  0.00828163
   0.35079520  0.42789908  0.33838981
   0.53514462  0.36293015  0.21546610
   0.28323011  0.40043487  0.15932131
   0.21630059  0.13063729  0.43551066
  -0.03577796  0.18337542  0.40222006
   0.02578161  0.03570490  0.55735780
   0.46421141  0.23879662  0.78122997
   0.11354212  0.29901305  0.54306796
   0.36579659  0.47401690  0.85116350
   0.45567438  0.45134901  0.66164463
   0.22374451  0.35318149  0.69816555
   0.25098570  0.20697832 -0.12913492
   0.01950377  0.10370863  0.93893785
   0.12070626  0.56981066  0.07047840
   0.40167181  0.68882778  0.28490522
   0.10279201  0.84202760  0.04146912
   0.35961555  0.94266660  0.34624828
   0.43244855  0.88770820  0.16879582
   0.18966096  0.81316531  0.22267572
   0.32304544  0.63685189  0.46508230
   0.07184064  0.58595903  0.40754069
   0.17850553  0.54226099  0.58959753
   0.33086839  0.69870245  0.76111372
   0.11180528  0.79111072  0.52646068
   0.38655386  0.99839584  0.78838308
   0.46242528  0.86361947  0.62458572
   0.20444485  0.92540517  0.67369937
   0.29938857  0.67565496 -0.03457713
   0.03456409  0.63301868  0.90739003
   0.63019225  0.04703813  0.10737452
   0.81446313  0.19467674  0.23572917
   0.61104463  0.27955301  0.04024761
   0.86775166  0.43090542  0.36197712
   0.03522052  0.35070744  0.18828023
   0.77347848  0.41144735  0.13969640
   0.70993639  0.16170675  0.40477693
   0.45717506  0.15903675  0.45682647
   0.62872243  0.05619451  0.57903298
   0.84767546  0.19773232  0.79534218
   0.61132376  0.32327496  0.53983475
   0.86441761  0.45064371  0.85932324
   0.95975730  0.44873438  0.67252035
   0.70561855  0.38964773  0.70424124
   0.75476963  0.08220095  0.95411806
   0.48495975  0.09270990  0.94478817
   0.56821427  0.55973049  0.07934565
   0.89298481  0.68503338  0.28186974
   0.61311959  0.80235807  0.04513998
   0.87639006  0.96191586  0.33812769
   0.91774788  0.87312552  0.15421867
   0.68457424  0.87324022  0.23170643
   0.81071359  0.66625201  0.44989230
   0.55952513  0.55975802  0.40695331
   0.65606667  0.58909409  0.58843880
   0.81991947  0.70292161  0.79179332
   0.58826058  0.81652613  0.45755698
   0.89538882  0.94495359  0.82938863
   0.93915609  0.83929236  0.67235484
   0.68709029  0.93080742  0.72721579
   0.78401846  0.62986194  0.97682636
   0.53210038  0.65814827  0.89748045
   0.71856238  0.81575259  0.58228661
   0.55927760  0.82820705  0.39464478
   0.89831583  0.23967109  0.06807677
   0.94075556  0.37047789  0.37557955
   0.37507617  0.11470745  0.61934882
   0.27322375  0.78422825  0.75359967
   0.18785703  1.08910676  0.18786484
   0.24030632  1.07339861  0.00834421
   0.63624322  0.33080958  0.87403790
   0.90870839  0.37225863  0.65964732
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921401    0.255809   -0.139742
    -0.000000    9.810080    0.076197
    -0.000000    0.000000   13.975188
   Si   O    H 
    32    64    10
Direct configuration=  2037
   0.15831136  0.17573722 -0.03512760
   0.35525601  0.10584098  0.37783755
   0.13365796  0.41851661  0.10961567
   0.38308727  0.34748649  0.24427892
   0.06841188  0.16206614  0.48827527
   0.39905476  0.13177482  0.85014475
   0.11065717  0.41225851  0.63091512
   0.36618714  0.36954275  0.75218633
   0.14079668  0.69327564 -0.00964506
   0.40083529  0.57953513  0.37435074
   0.08415701  0.88751118  0.14666891
   0.34562812  0.84380297  0.25842012
   0.16740016  0.64048896  0.49476490
   0.37228355  0.63151102  0.86673715
   0.06863062  0.89113672  0.61429092
   0.36043371  0.98060236  0.67268054
   0.61896667  0.12920077  1.00309966
   0.83147179  0.12237299  0.33711017
   0.61552209  0.40440401  0.11543377
   0.88668822  0.29829420  0.15977434
   0.61329247  0.17640539  0.49610176
   0.87870229  0.08803465  0.88194046
   0.60698651  0.44068953  0.61913392
   0.76460330  0.34376872  0.81087101
   0.62124088  0.65127332 -0.00636381
   0.90932329  0.58825336  0.37463669
   0.58770350  0.89852949  0.13852220
   0.84624925  0.84910360  0.25410925
   0.65014896  0.65646595  0.47677335
   0.87223844  0.61494216  0.88916184
   0.62164857  0.90505879  0.62050255
   0.82253026  0.86072894  0.75713069
   0.10094067  0.05498795  0.16993418
   0.34641135  0.18348447  0.27130868
   0.12218458  0.32346161  0.00812242
   0.35122029  0.42951510  0.33990294
   0.53412394  0.36417739  0.21461847
   0.28378539  0.40062507  0.15920676
   0.21512345  0.13224275  0.43607924
  -0.03686776  0.18130151  0.40048094
   0.02463181  0.03417807  0.55796966
   0.46412830  0.24035410  0.78035587
   0.11540997  0.30020742  0.54435983
   0.36648631  0.47410568  0.85032272
   0.45519278  0.45098989  0.66301001
   0.22507348  0.35450932  0.69695183
   0.25047424  0.20608391 -0.12899692
   0.01963026  0.10322958  0.93837997
   0.12114330  0.57179772  0.07064613
   0.40162435  0.68861732  0.28435995
   0.10300526  0.84154852  0.04122606
   0.36078725  0.94287639  0.34604004
   0.43365182  0.88861282  0.16942530
   0.18892674  0.81261400  0.22365870
   0.32246477  0.63743967  0.46420257
   0.07134179  0.58446018  0.40748697
   0.17786459  0.54208768  0.59065171
   0.32988350  0.69693102  0.76086442
   0.11025569  0.79127052  0.52687309
   0.38633101  0.99784477  0.78780793
   0.46091138  0.86334570  0.62561396
   0.20525228  0.92484106  0.67313744
   0.29879970  0.67697700 -0.03507193
   0.03520064  0.63201564  0.91025182
   0.62903886  0.04840241  0.10749890
   0.81436846  0.19523297  0.23432657
   0.61180177  0.28256526  0.04010091
   0.86625071  0.43240061  0.36064416
   0.03596395  0.35149669  0.18813484
   0.77380133  0.41201266  0.14076197
   0.70969781  0.16349083  0.40606296
   0.45949381  0.15824046  0.45565958
   0.62828828  0.05717292  0.57823795
   0.84810239  0.19692640  0.79569482
   0.61174776  0.32480340  0.54008908
   0.86464859  0.45054882  0.85973708
   0.96097026  0.44779968  0.67258188
   0.70537560  0.39061444  0.70350636
   0.75424248  0.08144337  0.95449980
   0.48747031  0.09144895  0.94432625
   0.56798960  0.55928876  0.07970740
   0.89454160  0.68524939  0.28084552
   0.61220510  0.80102122  0.04572084
   0.87569011  0.96209674  0.33746807
   0.91848586  0.87243165  0.15483407
   0.68490368  0.87235455  0.23249391
   0.81111258  0.66811844  0.45061312
   0.56015437  0.56014596  0.40650262
   0.65741466  0.58958177  0.58832996
   0.81994114  0.70541104  0.79196679
   0.58845024  0.81744954  0.45785587
   0.89717518  0.94751706  0.82965926
   0.94228511  0.84053179  0.67205759
   0.68655357  0.93085576  0.72714686
   0.78442767  0.62979801  0.97704015
   0.53282846  0.65817231  0.89761181
   0.71807473  0.81584482  0.58266777
   0.55516830  0.83458212  0.39069238
   0.90104079  0.24871249  0.06612265
   0.94096631  0.36459552  0.37690860
   0.37330572  0.11597351  0.61494917
   0.26564571  0.77765930  0.75235011
   0.18585914  1.08480504  0.19355483
   0.24716424  1.07840719  0.01091827
   0.63855786  0.32896524  0.86873815
   0.89908395  0.36478268  0.65894354
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920396    0.254664   -0.140201
    -0.000000    9.811848    0.075797
    -0.000000    0.000000   13.975892
   Si   O    H 
    32    64    10
Direct configuration=  2038
   0.15817615  0.17589950 -0.03549166
   0.35508945  0.10461678  0.37760255
   0.13294160  0.41927297  0.10956260
   0.38211556  0.34641496  0.24419387
   0.06941235  0.16029428  0.48780898
   0.39775220  0.13156251  0.84998918
   0.10941701  0.41113486  0.63051553
   0.36533693  0.37073856  0.75256754
   0.14003425  0.69200500 -0.00902460
   0.40062342  0.57811349  0.37472291
   0.08318250  0.88618547  0.14781663
   0.34619539  0.84319310  0.25910513
   0.16592976  0.64097110  0.49589507
   0.37348255  0.63149508  0.86747263
   0.06974171  0.89185767  0.61453526
   0.35936647  0.97997489  0.67166481
   0.61800139  0.13053362  1.00325476
   0.83045433  0.12156770  0.33723441
   0.61548529  0.40420426  0.11451154
   0.88762427  0.29626196  0.16063241
   0.61116137  0.17519364  0.49620869
   0.87845683  0.08818499  0.88196387
   0.60678829  0.44092769  0.61975431
   0.76645991  0.34461479  0.81188100
   0.62180646  0.65158024 -0.00575875
   0.91002036  0.58857407  0.37498628
   0.58651623  0.89933106  0.13818845
   0.84564829  0.85004516  0.25360587
   0.64955884  0.65772957  0.47618297
   0.87136663  0.61571860  0.88821593
   0.62189355  0.90432209  0.62078454
   0.82243814  0.86118819  0.75786178
   0.09961888  0.05291580  0.16878062
   0.34614230  0.18146416  0.27182636
   0.12367963  0.32549828  0.00811173
   0.35210666  0.43115860  0.34098398
   0.53298531  0.36578351  0.21403216
   0.28463796  0.40130300  0.15922244
   0.21440885  0.13368045  0.43631009
  -0.03752913  0.17974603  0.39858596
   0.02318514  0.03345154  0.55846679
   0.46411620  0.24177181  0.77943179
   0.11648463  0.30118587  0.54551299
   0.36709200  0.47339488  0.84923538
   0.45472573  0.45096550  0.66432681
   0.22598625  0.35539688  0.69682294
   0.25048005  0.20548163 -0.12880260
   0.01911921  0.10330982  0.93751877
   0.12167019  0.57336410  0.07102440
   0.40090716  0.68918713  0.28404303
   0.10360979  0.84045001  0.04054751
   0.36073746  0.94382444  0.34677134
   0.43533629  0.88871014  0.16940093
   0.18890751  0.81152655  0.22443284
   0.32120184  0.63800328  0.46312097
   0.07095141  0.58328374  0.40740159
   0.17783700  0.54241629  0.59055585
   0.32850924  0.69523590  0.76073227
   0.10955080  0.79095435  0.52686587
   0.38566352  0.99719099  0.78743795
   0.45931231  0.86282937  0.62612041
   0.20650280  0.92409934  0.67292314
   0.29847568  0.67837022 -0.03582271
   0.03467861  0.63153783  0.91281787
   0.62760622  0.05017632  0.10706100
   0.81454362  0.19559103  0.23322001
   0.61269690  0.28587425  0.03980451
   0.86578887  0.43324787  0.35901896
   0.03580588  0.35205613  0.18841315
   0.77415823  0.41318626  0.14154508
   0.70972699  0.16518077  0.40687996
   0.46242153  0.15723312  0.45449272
   0.62781081  0.05871824  0.57686165
   0.84920269  0.19655046  0.79599942
   0.61273517  0.32512524  0.54016053
   0.86442444  0.45085774  0.85978208
   0.96197050  0.44602260  0.67281809
   0.70555271  0.38983114  0.70279373
   0.75359060  0.08057240  0.95459505
   0.48944492  0.08981926  0.94445599
   0.56777765  0.55734859  0.07995133
   0.89553879  0.68544869  0.27956207
   0.61109890  0.79952331  0.04628256
   0.87431279  0.96237756  0.33631447
   0.92007496  0.87249616  0.15512545
   0.68472638  0.87129476  0.23343810
   0.81144772  0.66914981  0.45109164
   0.56141950  0.56004342  0.40576475
   0.65869474  0.58984442  0.58807790
   0.82012429  0.70706617  0.79297861
   0.58926636  0.81787534  0.45870805
   0.89897315  0.94963671  0.82993131
   0.94484371  0.84215119  0.67185547
   0.68536477  0.93144556  0.72687200
   0.78411841  0.63077496  0.97735873
   0.53423085  0.65785784  0.89790515
   0.72084946  0.80826371  0.58119276
   0.55204942  0.83992475  0.38784449
   0.90478300  0.24984833  0.06553641
   0.93581693  0.36017386  0.37622034
   0.37085353  0.11134667  0.61255478
   0.26519903  0.76679383  0.75260557
   0.18937845  1.08442820  0.19962416
   0.25296074  1.08208133  0.01648391
   0.63902875  0.32657847  0.86268858
   0.89546153  0.36836522  0.65770506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919370    0.253639   -0.141330
    -0.000000    9.813414    0.075812
    -0.000000    0.000000   13.976655
   Si   O    H 
    32    64    10
Direct configuration=  2039
   0.15867597  0.17547566 -0.03592556
   0.35500136  0.10373555  0.37725561
   0.13274301  0.41987574  0.10915910
   0.38123424  0.34553946  0.24459128
   0.07034511  0.15827951  0.48742261
   0.39643248  0.13116454  0.85006493
   0.10778474  0.40971830  0.62984908
   0.36554549  0.37188130  0.75268499
   0.13910993  0.69015535 -0.00844393
   0.40032872  0.57662609  0.37499394
   0.08243838  0.88452249  0.14895407
   0.34696999  0.84208442  0.25950325
   0.16484762  0.64150474  0.49700671
   0.37462254  0.63161771  0.86782318
   0.07114950  0.89253786  0.61454964
   0.35834165  0.97962751  0.67062606
   0.61721319  0.13164884  1.00353054
   0.82959334  0.12044602  0.33721370
   0.61525042  0.40500261  0.11420289
   0.88872070  0.29439057  0.16102235
   0.60931315  0.17442037  0.49612352
   0.87850275  0.08838383  0.88186345
   0.60618454  0.44107897  0.62039684
   0.76767997  0.34542324  0.81254276
   0.62228478  0.65221884 -0.00527860
   0.91098688  0.58950228  0.37522542
   0.58553694  0.90066009  0.13789253
   0.84544916  0.85071340  0.25357792
   0.64969776  0.65948692  0.47558910
   0.87058668  0.61630380  0.88645923
   0.62247531  0.90419467  0.62076796
   0.82350829  0.86130305  0.75848524
   0.09920117  0.05149026  0.16772805
   0.34629509  0.17975538  0.27185041
   0.12466700  0.32749653  0.00863125
   0.35320166  0.43236533  0.34193202
   0.53223218  0.36748171  0.21350304
   0.28574578  0.40146020  0.15957805
   0.21373537  0.13528177  0.43691992
  -0.03854353  0.17824964  0.39671495
   0.02195370  0.03407921  0.55876402
   0.46375106  0.24382571  0.77879510
   0.11680284  0.30168137  0.54664107
   0.36770072  0.47307862  0.84854392
   0.45404109  0.45045324  0.66538708
   0.22658616  0.35666400  0.69675270
   0.25113607  0.20393476 -0.12867917
   0.01902233  0.10341549  0.93679123
   0.12256493  0.57500672  0.07204121
   0.40009825  0.68975208  0.28369841
   0.10462828  0.83844087  0.03955929
   0.36066242  0.94470537  0.34733142
   0.43580723  0.88888289  0.16960027
   0.18886860  0.81118622  0.22517889
   0.31983080  0.63836338  0.46183860
   0.07052430  0.58201254  0.40715807
   0.17881584  0.54324948  0.58994984
   0.32745058  0.69321379  0.76062381
   0.10911036  0.79072920  0.52659230
   0.38440097  0.99634650  0.78697862
   0.45750723  0.86310942  0.62655546
   0.20812197  0.92312995  0.67280027
   0.29799903  0.67976643 -0.03621613
   0.03279543  0.63226401  0.91462736
   0.62680282  0.05125729  0.10695529
   0.81505440  0.19547432  0.23240105
   0.61297454  0.28925487  0.03948753
   0.86484696  0.43381440  0.35759945
   0.03549739  0.35320257  0.18884000
   0.77431248  0.41402044  0.14308824
   0.70890039  0.16626788  0.40715987
   0.46450358  0.15577346  0.45358515
   0.62777724  0.05958529  0.57511194
   0.85000391  0.19653514  0.79626099
   0.61331218  0.32521046  0.53969276
   0.86389252  0.45135583  0.86036205
   0.96231650  0.44449336  0.67284164
   0.70606844  0.38891162  0.70252589
   0.75342695  0.07933311  0.95467485
   0.49149046  0.08853746  0.94463908
   0.56793140  0.55535814  0.08011397
   0.89595534  0.68720125  0.27860534
   0.61025980  0.79849251  0.04639030
   0.87294514  0.96245963  0.33486825
   0.92065701  0.87236939  0.15500755
   0.68352241  0.86986408  0.23490844
   0.81200146  0.67000073  0.45162818
   0.56287073  0.55999906  0.40499313
   0.65978543  0.59022952  0.58707640
   0.82079012  0.70737183  0.79374319
   0.58906678  0.81764712  0.45910106
   0.90148176  0.95185752  0.83031825
   0.94559241  0.84336671  0.67217517
   0.68324558  0.93207059  0.72619487
   0.78316002  0.63194620  0.97774727
   0.53639997  0.65731595  0.89796021
   0.72126628  0.80219015  0.57865544
   0.55301730  0.84133046  0.39178104
   0.91148241  0.24816528  0.06203403
   0.92561893  0.36028269  0.37496558
   0.36921865  0.10259050  0.61096497
   0.25703601  0.76634101  0.75160879
   0.18617410  1.08410124  0.20121364
   0.25684010  1.08761309  0.02234427
   0.64485986  0.32568655  0.85794822
   0.89981951  0.38181752  0.66150249
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918415    0.253314   -0.142341
    -0.000000    9.814634    0.075629
    -0.000000    0.000000   13.977294
   Si   O    H 
    32    64    10
Direct configuration=  2040
   0.15917746  0.17526177 -0.03635676
   0.35529882  0.10237448  0.37673421
   0.13317137  0.42079818  0.10894082
   0.38042765  0.34435773  0.24557428
   0.07084450  0.15661109  0.48710806
   0.39489943  0.13070849  0.85048015
   0.10666366  0.40908697  0.62882754
   0.36582367  0.37332888  0.75279517
   0.13818013  0.68846097 -0.00784794
   0.40026669  0.57549920  0.37557814
   0.08202631  0.88366807  0.15005283
   0.34761549  0.84028966  0.25963671
   0.16443526  0.64131786  0.49773642
   0.37559572  0.63114170  0.86773580
   0.07260341  0.89279047  0.61424337
   0.35703269  0.97957463  0.66980691
   0.61678348  0.13312292  1.00411425
   0.82872649  0.12054862  0.33747960
   0.61515200  0.40653531  0.11414705
   0.88978763  0.29300730  0.16091604
   0.60744660  0.17354486  0.49582501
   0.87835690  0.08829684  0.88188929
   0.60527043  0.44132283  0.62094567
   0.76860159  0.34587931  0.81269917
   0.62321600  0.65316984 -0.00458298
   0.91210550  0.59038994  0.37586804
   0.58511326  0.90197214  0.13776763
   0.84543502  0.85064963  0.25382732
   0.64977858  0.66060160  0.47490437
   0.87072610  0.61653794  0.88470086
   0.62241929  0.90437945  0.62095846
   0.82540685  0.86100034  0.75876583
   0.09930186  0.04996538  0.16702229
   0.34680654  0.17882579  0.27173343
   0.12630617  0.32982139  0.00931500
   0.35451658  0.43374998  0.34293238
   0.53186380  0.37018082  0.21238553
   0.28698095  0.40148125  0.15992415
   0.21329201  0.13640689  0.43760434
  -0.03934160  0.17613336  0.39473452
   0.02165015  0.03492198  0.55851787
   0.46386606  0.24572773  0.77845189
   0.11645466  0.30236548  0.54734417
   0.36803303  0.47225826  0.84793591
   0.45413271  0.45003873  0.66599288
   0.22690700  0.35748621  0.69664122
   0.25239988  0.20230093 -0.12881552
   0.02047097  0.10337120  0.93636047
   0.12446106  0.57620664  0.07337702
   0.39951165  0.68986642  0.28431794
   0.10615307  0.83578039  0.03808016
   0.36116285  0.94514744  0.34776995
   0.43505479  0.88980229  0.17011807
   0.18806044  0.81121885  0.22561467
   0.31796643  0.63966036  0.46064647
   0.06993363  0.58182619  0.40706609
   0.17971184  0.54510689  0.58977277
   0.32647428  0.69131461  0.76058257
   0.10874513  0.79082706  0.52645719
   0.38281385  0.99591337  0.78629611
   0.45633745  0.86335200  0.62672838
   0.20948342  0.92220895  0.67242884
   0.29716236  0.68141267 -0.03692763
   0.03128373  0.63320796  0.91604489
   0.62492709  0.05182413  0.10611940
   0.81508420  0.19503455  0.23240010
   0.61238950  0.29266518  0.03843957
   0.86355090  0.43518399  0.35646704
   0.03452448  0.35443608  0.18953465
   0.77425150  0.41519835  0.14456983
   0.70860886  0.16625538  0.40762673
   0.46563005  0.15462575  0.45327205
   0.62837059  0.06067783  0.57379582
   0.85086454  0.19657565  0.79689269
   0.61522539  0.32532558  0.53920804
   0.86333855  0.45260736  0.86077359
   0.96318022  0.44404587  0.67269487
   0.70689715  0.38814539  0.70241370
   0.75388070  0.07879881  0.95478002
   0.49310357  0.08792404  0.94432345
   0.56827685  0.55367559  0.08007735
   0.89611275  0.68931659  0.27788517
   0.60940327  0.79750641  0.04649925
   0.87182976  0.96196066  0.33434175
   0.92101635  0.87169703  0.15479956
   0.68194369  0.86842593  0.23631938
   0.81323847  0.67084903  0.45218224
   0.56464168  0.56053053  0.40390961
   0.66010703  0.59054229  0.58593052
   0.82144613  0.70684813  0.79470299
   0.58870514  0.81838977  0.45918302
   0.90363822  0.95226048  0.83030011
   0.94578114  0.84422220  0.67236977
   0.68131830  0.93212852  0.72611480
   0.78252089  0.63226837  0.97798501
   0.53719635  0.65621292  0.89809136
   0.72032747  0.79903234  0.57794470
   0.55767526  0.84218184  0.40002817
   0.91608420  0.24288545  0.05963642
   0.91947973  0.35435526  0.37543204
   0.36728799  0.09338301  0.61041712
   0.25241060  0.76196388  0.75383479
   0.17596476  1.07927387  0.19985400
   0.25430677  1.09674544  0.02715009
   0.64663759  0.32565391  0.85521389
   0.88842301  0.38179699  0.66208426
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917713    0.252767   -0.143112
    -0.000000    9.816263    0.075386
    -0.000000    0.000000   13.977877
   Si   O    H 
    32    64    10
Direct configuration=  2041
   0.16018641  0.17443668 -0.03652357
   0.35516512  0.10150065  0.37621705
   0.13375696  0.42141780  0.10906523
   0.38042331  0.34302296  0.24669985
   0.07136179  0.15483796  0.48700792
   0.39380490  0.13012989  0.85093646
   0.10574672  0.40893690  0.62758823
   0.36599385  0.37514785  0.75291987
   0.13756526  0.68681689 -0.00733314
   0.40026336  0.57518205  0.37613415
   0.08215518  0.88279812  0.15074378
   0.34763568  0.83860960  0.25973237
   0.16326518  0.64151185  0.49834885
   0.37634855  0.63106234  0.86807485
   0.07427501  0.89323453  0.61415150
   0.35559173  0.97866248  0.66904483
   0.61677150  0.13405071  1.00500300
   0.82813721  0.12033756  0.33769531
   0.61490358  0.40813131  0.11459175
   0.89021155  0.29227090  0.16079539
   0.60576857  0.17245452  0.49563162
   0.87819005  0.08856647  0.88223955
   0.60422705  0.44179125  0.62167205
   0.76982802  0.34596463  0.81243799
   0.62444023  0.65478974 -0.00348051
   0.91321712  0.59163062  0.37612076
   0.58541566  0.90229164  0.13761010
   0.84514399  0.85035538  0.25449732
   0.65009286  0.66202544  0.47419292
   0.87047125  0.61664347  0.88336828
   0.62246477  0.90482768  0.62061634
   0.82742162  0.86084986  0.75894688
   0.09926178  0.04796366  0.16646490
   0.34719999  0.17893552  0.27205858
   0.12819915  0.33150717  0.00978204
   0.35574525  0.43407618  0.34309648
   0.53170654  0.37203333  0.21193887
   0.28782174  0.40195584  0.16003122
   0.21348051  0.13704112  0.43830637
  -0.03874631  0.17414285  0.39327830
   0.02095450  0.03714365  0.55805142
   0.46304709  0.24596953  0.77821074
   0.11607479  0.30173787  0.54730673
   0.36758635  0.47174686  0.84686384
   0.45450710  0.44956541  0.66651630
   0.22821856  0.35783662  0.69716427
   0.25310102  0.20049935 -0.12857652
   0.02248651  0.10228292  0.93620981
   0.12647719  0.57681721  0.07510498
   0.39929609  0.68933823  0.28492375
   0.10743091  0.83438544  0.03676513
   0.36180495  0.94624701  0.34825076
   0.43450041  0.89159480  0.16977129
   0.18746057  0.81116732  0.22631517
   0.31612679  0.64121730  0.45920475
   0.06923383  0.58095156  0.40719966
   0.18049611  0.54697081  0.58945246
   0.32611751  0.68962248  0.76025008
   0.10827954  0.79098632  0.52582139
   0.38160343  0.99588552  0.78518036
   0.45477985  0.86346129  0.62701919
   0.21045386  0.92168676  0.67192332
   0.29573094  0.68327317 -0.03759719
   0.02931221  0.63336631  0.91663327
   0.62224313  0.05226454  0.10492057
   0.81586977  0.19354217  0.23225963
   0.61205276  0.29448533  0.03711511
   0.86208075  0.43720280  0.35583633
   0.03360585  0.35569172  0.18985949
   0.77484318  0.41577483  0.14618152
   0.70821816  0.16588062  0.40783869
   0.46566004  0.15328210  0.45252571
   0.62921908  0.06162302  0.57304030
   0.85211913  0.19682692  0.79753820
   0.61706690  0.32568697  0.53878984
   0.86317476  0.45495780  0.86147026
   0.96343626  0.44389367  0.67269204
   0.70877335  0.38735970  0.70259207
   0.75396165  0.07892642  0.95435053
   0.49463150  0.08824929  0.94357144
   0.56916335  0.55222699  0.07987398
   0.89672371  0.69201708  0.27729460
   0.60876363  0.79747406  0.04686420
   0.87057008  0.96054432  0.33359740
   0.92070413  0.86988737  0.15438929
   0.68068502  0.86676392  0.23741184
   0.81386792  0.67085971  0.45309935
   0.56647969  0.56079062  0.40212559
   0.66007022  0.59125101  0.58461307
   0.82133466  0.70631418  0.79528108
   0.58848022  0.81828213  0.46027776
   0.90555416  0.95265285  0.82966155
   0.94554405  0.84437485  0.67278000
   0.67980525  0.93263443  0.72674687
   0.78146689  0.63268924  0.97826149
   0.53808570  0.65527382  0.89754518
   0.71575775  0.80109328  0.57917245
   0.55455604  0.84744612  0.39624937
   0.91545247  0.23392592  0.06064208
   0.91028012  0.34870093  0.37638928
   0.36460272  0.09063953  0.60790874
   0.25477924  0.75660474  0.75565629
   0.17527266  1.07975014  0.19988736
   0.24878164  1.10782366  0.02991487
   0.64107394  0.32494746  0.85803233
   0.87821641  0.38712284  0.66392180
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917195    0.252489   -0.143536
    -0.000000    9.818313    0.075760
    -0.000000    0.000000   13.978553
   Si   O    H 
    32    64    10
Direct configuration=  2042
   0.16080268  0.17328828 -0.03639217
   0.35479137  0.10027009  0.37639291
   0.13408640  0.42179488  0.10907025
   0.38011950  0.34167496  0.24793233
   0.07164915  0.15302667  0.48706731
   0.39299834  0.12915408  0.85140236
   0.10501392  0.40911069  0.62661924
   0.36623480  0.37701817  0.75305557
   0.13709896  0.68520787 -0.00660505
   0.40045376  0.57530328  0.37645974
   0.08256861  0.88242463  0.15101695
   0.34746724  0.83677883  0.25964245
   0.16242483  0.64177130  0.49836225
   0.37712784  0.63071808  0.86811068
   0.07573060  0.89409240  0.61395128
   0.35452528  0.97809377  0.66852331
   0.61722987  0.13521643  1.00555893
   0.82766957  0.12059659  0.33783423
   0.61486310  0.40976840  0.11525625
   0.89046486  0.29190333  0.16060623
   0.60512983  0.17164743  0.49510862
   0.87737933  0.08872359  0.88281980
   0.60379419  0.44256228  0.62171754
   0.77044197  0.34605475  0.81206726
   0.62534145  0.65579193 -0.00228332
   0.91397728  0.59312214  0.37570959
   0.58610764  0.90272856  0.13773001
   0.84462633  0.84862841  0.25559598
   0.65011172  0.66328042  0.47359986
   0.87079713  0.61659084  0.88220061
   0.62261871  0.90527273  0.62064664
   0.82893843  0.86108927  0.75902747
   0.09848203  0.04584876  0.16527154
   0.34872186  0.17914655  0.27258898
   0.13026221  0.33318630  0.01056530
   0.35681993  0.43388360  0.34336826
   0.53197310  0.37419186  0.21180635
   0.28774797  0.40167194  0.15986683
   0.21470091  0.13707262  0.43834946
  -0.03841341  0.17238933  0.39195309
   0.02098268  0.03901531  0.55801141
   0.46242370  0.24601204  0.77830065
   0.11520313  0.29973166  0.54705251
   0.36675728  0.46998378  0.84531535
   0.45470005  0.44816284  0.66697273
   0.22895213  0.35875841  0.69775440
   0.25319585  0.19833408 -0.12816350
   0.02369602  0.10203239  0.93555171
   0.12845165  0.57771839  0.07774177
   0.39927515  0.68760232  0.28620355
   0.10781073  0.83420987  0.03604349
   0.36251341  0.94652391  0.34864799
   0.43407589  0.89312450  0.16873555
   0.18774071  0.81153705  0.22810313
   0.31461278  0.64198623  0.45808247
   0.06870123  0.58117955  0.40777407
   0.18138862  0.54832353  0.58876332
   0.32592779  0.68818743  0.76039246
   0.10850173  0.79221647  0.52534982
   0.38053415  0.99552249  0.78409298
   0.45329346  0.86441419  0.62740951
   0.21109818  0.92084351  0.67135993
   0.29448499  0.68463198 -0.03809644
   0.02741827  0.63410534  0.91669462
   0.61954125  0.05238179  0.10423934
   0.81702153  0.19137261  0.23258751
   0.61221001  0.29524754  0.03541645
   0.86061725  0.43980458  0.35509807
   0.03370646  0.35775443  0.19050506
   0.77557921  0.41631926  0.14797095
   0.70790076  0.16545036  0.40778617
   0.46516079  0.15181787  0.45123107
   0.62994582  0.06176849  0.57227186
   0.85241230  0.19808458  0.79753811
   0.61925610  0.32586637  0.53866729
   0.86257392  0.45743308  0.86161353
   0.96338751  0.44230931  0.67278294
   0.71209061  0.38639000  0.70341983
   0.75422838  0.07903179  0.95440829
   0.49544309  0.08851377  0.94241479
   0.56936293  0.55098429  0.07916093
   0.89743132  0.69559739  0.27727887
   0.60758134  0.79844163  0.04703416
   0.86924409  0.95915737  0.33300631
   0.92042322  0.86793162  0.15447101
   0.67907341  0.86563950  0.23824270
   0.81420295  0.67008615  0.45389242
   0.56763661  0.56108539  0.40115708
   0.65929758  0.59194253  0.58352536
   0.82174799  0.70664073  0.79592193
   0.58895428  0.81846840  0.46110012
   0.90698026  0.95208912  0.82901851
   0.94512501  0.84500922  0.67339478
   0.67931510  0.93286912  0.72772776
   0.78172288  0.63298437  0.97863749
   0.53850072  0.65390410  0.89743919
   0.71308947  0.80665074  0.58448123
   0.55058245  0.85487240  0.39425836
   0.91158652  0.22837338  0.06356188
   0.90168831  0.34982900  0.37579379
   0.36542397  0.09150684  0.60692263
   0.25790927  0.75387028  0.75810139
   0.18101392  1.08271809  0.20289831
   0.24691901  1.10963351  0.03280601
   0.63840325  0.32594012  0.86140659
   0.87428238  0.39537727  0.66682532
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916709    0.252299   -0.143909
    -0.000000    9.820700    0.076293
    -0.000000    0.000000   13.979224
   Si   O    H 
    32    64    10
Direct configuration=  2043
   0.16100478  0.17258310 -0.03610899
   0.35442778  0.09898873  0.37680907
   0.13434759  0.42148945  0.10912294
   0.37985852  0.34003655  0.24872309
   0.07258995  0.15228583  0.48707214
   0.39308772  0.12857926  0.85182242
   0.10537581  0.40924420  0.62559986
   0.36638827  0.37867866  0.75314987
   0.13583422  0.68384213 -0.00568144
   0.40087889  0.57616732  0.37663645
   0.08295128  0.88210459  0.15100360
   0.34754205  0.83470846  0.25958956
   0.16232318  0.64223014  0.49843609
   0.37779831  0.63032608  0.86811181
   0.07704325  0.89500338  0.61359032
   0.35372928  0.97744159  0.66823413
   0.61754441  0.13642040  1.00611777
   0.82755338  0.12154695  0.33811739
   0.61436242  0.41106632  0.11554416
   0.89061848  0.29193148  0.16003956
   0.60466905  0.17061736  0.49458391
   0.87669484  0.08892516  0.88380791
   0.60362838  0.44373891  0.62192210
   0.77083253  0.34658326  0.81181546
   0.62596429  0.65651600 -0.00099893
   0.91449771  0.59468573  0.37482767
   0.58696606  0.90252164  0.13785518
   0.84330454  0.84701922  0.25642572
   0.65034733  0.66425246  0.47284467
   0.87147037  0.61670340  0.88154729
   0.62195410  0.90537842  0.62114391
   0.83054732  0.86129838  0.75857304
   0.09823240  0.04482072  0.16411824
   0.34954584  0.18007489  0.27312830
   0.13231346  0.33436423  0.01089928
   0.35769941  0.43339246  0.34331678
   0.53202619  0.37534645  0.21234523
   0.28740062  0.40148717  0.15993591
   0.21600734  0.13700123  0.43748907
  -0.03664624  0.17154851  0.39100513
   0.02091142  0.03914204  0.55835438
   0.46260877  0.24594106  0.77889639
   0.11387515  0.29762754  0.54624964
   0.36556186  0.46866988  0.84483716
   0.45448276  0.44752690  0.66718013
   0.22824033  0.35967624  0.69845718
   0.25241548  0.19639946 -0.12819176
   0.02510944  0.10175499  0.93510084
   0.13022124  0.57934837  0.08062090
   0.39918012  0.68615521  0.28730158
   0.10877860  0.83458019  0.03578105
   0.36231840  0.94527495  0.34882107
   0.43281415  0.89385479  0.16802198
   0.18802743  0.81322549  0.23064788
   0.31354487  0.64227297  0.45719786
   0.06925493  0.58169886  0.40864281
   0.18229588  0.54889346  0.58837196
   0.32537629  0.68677131  0.76061912
   0.10882381  0.79276703  0.52429976
   0.37892868  0.99536069  0.78260464
   0.45262166  0.86571538  0.62775723
   0.21107778  0.92026022  0.67101664
   0.29333619  0.68604820 -0.03849475
   0.02555838  0.63502611  0.91610268
   0.61665139  0.05230638  0.10389157
   0.81750355  0.18858214  0.23279049
   0.61186113  0.29520624  0.03347803
   0.85970873  0.44244360  0.35417825
   0.03404829  0.36041717  0.19118099
   0.77656258  0.41647217  0.14923523
   0.70749087  0.16470998  0.40723163
   0.46409990  0.15012339  0.44997252
   0.63093600  0.06069551  0.57241973
   0.85310608  0.19987427  0.79758765
   0.62095109  0.32539666  0.53887907
   0.86172969  0.45900861  0.86194272
   0.96259185  0.44164129  0.67298856
   0.71533983  0.38559100  0.70475893
   0.75427272  0.07962504  0.95467619
   0.49551422  0.08826689  0.94149353
   0.56966275  0.55072146  0.07774062
   0.89790054  0.69823848  0.27734833
   0.60615646  0.80029620  0.04717483
   0.86790566  0.95820367  0.33253855
   0.92033892  0.86692288  0.15482725
   0.67751376  0.86432842  0.23866427
   0.81450021  0.66947183  0.45469452
   0.56770607  0.56066374  0.39987986
   0.65829007  0.59241060  0.58246781
   0.82142947  0.70694175  0.79625259
   0.58814685  0.81866379  0.46058894
   0.90898518  0.95064389  0.82800517
   0.94520381  0.84549661  0.67360631
   0.67935877  0.93316492  0.72836435
   0.78225960  0.63359476  0.97918070
   0.53805506  0.65243995  0.89717170
   0.71265132  0.81284090  0.58989245
   0.54888293  0.86045368  0.39748192
   0.90819440  0.22195115  0.06730414
   0.89156821  0.35626201  0.37636889
   0.36491916  0.09709319  0.60426787
   0.25229273  0.76054642  0.75999642
   0.17905554  1.08295793  0.20410969
   0.24600106  1.10992962  0.03918467
   0.64040638  0.32746758  0.86557491
   0.87283700  0.40725384  0.66890894
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916008    0.251949   -0.144189
    -0.000000    9.823217    0.076625
    -0.000000    0.000000   13.979899
   Si   O    H 
    32    64    10
Direct configuration=  2044
   0.16090106  0.17274947 -0.03570655
   0.35341166  0.09799601  0.37759393
   0.13498452  0.42154220  0.10933137
   0.37975059  0.33856456  0.24901565
   0.07371596  0.15223132  0.48682194
   0.39388657  0.12751364  0.85177786
   0.10608061  0.40972603  0.62531666
   0.36688538  0.38018924  0.75298002
   0.13537362  0.68241846 -0.00525027
   0.40204455  0.57599504  0.37683407
   0.08374426  0.88171108  0.15060602
   0.34763002  0.83275126  0.25914645
   0.16249368  0.64285166  0.49842915
   0.37787145  0.63010413  0.86790358
   0.07760182  0.89587506  0.61294919
   0.35340038  0.97780076  0.66805996
   0.61832329  0.13852804  1.00659822
   0.82793496  0.12259152  0.33851009
   0.61396903  0.41204749  0.11588472
   0.89079811  0.29215210  0.15941255
   0.60439056  0.17032509  0.49404825
   0.87577603  0.08904813  0.88441721
   0.60379078  0.44381260  0.62211412
   0.77081365  0.34675082  0.81155720
   0.62625314  0.65714791  0.00029826
   0.91481909  0.59549854  0.37385953
   0.58789310  0.90208965  0.13801209
   0.84251933  0.84556917  0.25717155
   0.65089458  0.66511041  0.47219066
   0.87129784  0.61667180  0.88077943
   0.62087828  0.90608474  0.62145432
   0.83158455  0.86155126  0.75786214
   0.09888045  0.04424819  0.16308838
   0.34994616  0.18144035  0.27367041
   0.13392778  0.33530088  0.01084658
   0.35861048  0.43252730  0.34283494
   0.53140819  0.37605170  0.21268821
   0.28661513  0.40121274  0.16069945
   0.21689884  0.13696612  0.43591807
  -0.03445133  0.17096853  0.39049793
   0.02102238  0.03875630  0.55877513
   0.46293745  0.24515121  0.77960386
   0.11199498  0.29490602  0.54553011
   0.36503966  0.46789471  0.84470730
   0.45428731  0.44837153  0.66722067
   0.22738163  0.35993301  0.69928933
   0.25184624  0.19535601 -0.12756806
   0.02670882  0.10190313  0.93445370
   0.13177416  0.58101996  0.08320600
   0.39934884  0.68381473  0.28863179
   0.10986787  0.83460686  0.03640991
   0.36205151  0.94367947  0.34921400
   0.43082511  0.89403531  0.16764191
   0.18809349  0.81458204  0.23281601
   0.31264604  0.64336237  0.45635467
   0.06968369  0.58237756  0.40992909
   0.18266015  0.54897504  0.58824380
   0.32480003  0.68568794  0.76148611
   0.10932140  0.79281610  0.52353225
   0.37737990  0.99621853  0.78165481
   0.45320658  0.86745364  0.62853311
   0.20969698  0.91871534  0.67088935
   0.29248198  0.68765193 -0.03913631
   0.02420111  0.63610602  0.91551280
   0.61332061  0.05171196  0.10377300
   0.81790571  0.18527546  0.23354822
   0.61108902  0.29453611  0.03182888
   0.85797647  0.44529858  0.35296010
   0.03391591  0.36365109  0.19226454
   0.77722256  0.41703102  0.15024734
   0.70713717  0.16392163  0.40643753
   0.46230738  0.14798517  0.44889990
   0.63157924  0.05931522  0.57270049
   0.85392140  0.20235997  0.79742837
   0.62317698  0.32489243  0.53895012
   0.86156132  0.46022369  0.86169736
   0.96252878  0.43985265  0.67314586
   0.71814903  0.38451090  0.70527673
   0.75413306  0.07979120  0.95505706
   0.49555245  0.08802614  0.94078258
   0.56997208  0.55242656  0.07631455
   0.89859452  0.69955618  0.27812403
   0.60511916  0.80256150  0.04709415
   0.86681022  0.95767269  0.33217029
   0.91984191  0.86658576  0.15499614
   0.67580194  0.86319872  0.23861186
   0.81509134  0.66890748  0.45564697
   0.56757627  0.56011744  0.39887001
   0.65768582  0.59244050  0.58168852
   0.82109810  0.70764922  0.79617016
   0.58732290  0.81930967  0.45936350
   0.91054881  0.94983165  0.82760066
   0.94519492  0.84593534  0.67335730
   0.67916074  0.93309806  0.72860100
   0.78326529  0.63453963  0.98007307
   0.53761138  0.65145623  0.89738082
   0.71864109  0.81552943  0.58981137
   0.54688835  0.85821165  0.40376144
   0.90237583  0.21305993  0.07208497
   0.88653765  0.35682109  0.38243046
   0.36643353  0.10070906  0.60268840
   0.25183755  0.76438904  0.75958214
   0.17046367  1.07767168  0.20166165
   0.24870000  1.11153558  0.04409885
   0.64636429  0.32862956  0.86711574
   0.86586261  0.41649362  0.66995060
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915246    0.251475   -0.144713
    -0.000000    9.826277    0.076925
    -0.000000    0.000000   13.980777
   Si   O    H 
    32    64    10
Direct configuration=  2045
   0.16081178  0.17340291 -0.03505422
   0.35161959  0.09715923  0.37789997
   0.13512974  0.42134249  0.10937590
   0.38016302  0.33705815  0.24919185
   0.07422249  0.15239061  0.48657042
   0.39433012  0.12657864  0.85161620
   0.10692796  0.41050595  0.62516667
   0.36758032  0.38130205  0.75279043
   0.13554295  0.68127585 -0.00505077
   0.40349268  0.57607874  0.37706257
   0.08472066  0.88143345  0.15036539
   0.34743575  0.83108089  0.25892660
   0.16234953  0.64274948  0.49857859
   0.37841369  0.63007534  0.86791776
   0.07734715  0.89597300  0.61187217
   0.35328715  0.97836892  0.66808585
   0.61866191  0.14079339  1.00682948
   0.82848837  0.12341956  0.33852215
   0.61413726  0.41210444  0.11642727
   0.89080585  0.29255806  0.15895893
   0.60432388  0.17014662  0.49388230
   0.87463957  0.08931731  0.88508830
   0.60420618  0.44351217  0.62255863
   0.77102956  0.34717513  0.81088562
   0.62676097  0.65758229  0.00135798
   0.91507249  0.59635571  0.37280825
   0.58914676  0.90159955  0.13831694
   0.84186757  0.84405925  0.25710877
   0.65234173  0.66612966  0.47172718
   0.87178207  0.61708340  0.88026650
   0.61936254  0.90657755  0.62156788
   0.83121710  0.86161107  0.75697139
   0.09935768  0.04338913  0.16200298
   0.35005388  0.18360510  0.27427668
   0.13517911  0.33621498  0.01134988
   0.35981080  0.43042614  0.34231368
   0.53087272  0.37590272  0.21255859
   0.28622577  0.40117051  0.16116046
   0.21724771  0.13665466  0.43451830
  -0.03204247  0.17132633  0.39037874
   0.02055646  0.03876903  0.55902911
   0.46272827  0.24413772  0.78085830
   0.10943290  0.29188401  0.54434076
   0.36540572  0.46806405  0.84486028
   0.45452930  0.44977026  0.66661802
   0.22673948  0.35976616  0.69978074
   0.25125440  0.19437738 -0.12675412
   0.02838767  0.10235780  0.93376214
   0.13400694  0.58241626  0.08577225
   0.39889479  0.68156327  0.29038691
   0.11029612  0.83480687  0.03691166
   0.36109593  0.94193219  0.34993878
   0.42890801  0.89394096  0.16764711
   0.18734435  0.81652929  0.23434293
   0.31162946  0.64431696  0.45575750
   0.07013136  0.58277753  0.41151246
   0.18314682  0.54894832  0.58805942
   0.32342597  0.68551543  0.76177162
   0.10963358  0.79341801  0.52262918
   0.37586258  0.99820375  0.78137677
   0.45511326  0.86899167  0.62942539
   0.20871255  0.91663816  0.67034243
   0.29220965  0.68912070 -0.04024025
   0.02348499  0.63763519  0.91561556
   0.61005277  0.05125793  0.10317399
   0.81793330  0.18295154  0.23384220
   0.61008471  0.29463924  0.03062996
   0.85592146  0.44791977  0.35187075
   0.03367478  0.36643153  0.19283618
   0.77729274  0.41689045  0.15112546
   0.70623709  0.16334084  0.40538661
   0.45969895  0.14547901  0.44844190
   0.63163073  0.05752381  0.57320560
   0.85462955  0.20437109  0.79747884
   0.62483093  0.32460256  0.53887275
   0.86130741  0.46075005  0.86130053
   0.96247851  0.43812128  0.67308135
   0.72058019  0.38425682  0.70501034
   0.75359078  0.07981423  0.95530092
   0.49550775  0.08802454  0.93963329
   0.57112934  0.55397132  0.07465919
   0.89940171  0.69987610  0.27929701
   0.60472364  0.80552454  0.04620052
   0.86514490  0.95779040  0.33199677
   0.91975582  0.86665087  0.15544830
   0.67426990  0.86267246  0.23783249
   0.81574558  0.66834135  0.45612587
   0.56756188  0.55965468  0.39801884
   0.65672489  0.59215382  0.58101677
   0.82027200  0.70814972  0.79652841
   0.58673630  0.81907017  0.45809110
   0.91269863  0.94999280  0.82810279
   0.94530443  0.84620476  0.67321292
   0.67958293  0.93245032  0.72857609
   0.78358068  0.63525115  0.98052848
   0.53698469  0.65067151  0.89749220
   0.72546956  0.81646151  0.58602988
   0.54333781  0.85638506  0.40643894
   0.90163734  0.20345985  0.07517864
   0.87915684  0.35978417  0.38592258
   0.36511076  0.10038231  0.60476256
   0.26317787  0.76103307  0.75938285
   0.16855214  1.07464165  0.20276725
   0.24739864  1.10960370  0.04686108
   0.65277864  0.33060198  0.86890309
   0.85902801  0.42541729  0.66945660
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914428    0.251664   -0.144902
    -0.000000    9.830332    0.077507
    -0.000000    0.000000   13.982203
   Si   O    H 
    32    64    10
Direct configuration=  2046
   0.16052162  0.17392427 -0.03398388
   0.34965693  0.09658778  0.37811980
   0.13538272  0.42104445  0.10910469
   0.38027281  0.33644346  0.24930229
   0.07484522  0.15298499  0.48623771
   0.39496497  0.12515240  0.85113030
   0.10733378  0.41091368  0.62529455
   0.36851338  0.38246895  0.75293996
   0.13551391  0.68012738 -0.00482242
   0.40509436  0.57599468  0.37715675
   0.08606428  0.88107210  0.14999745
   0.34673005  0.82955527  0.25878385
   0.16246584  0.64301708  0.49833515
   0.37881754  0.62990681  0.86801253
   0.07698197  0.89579195  0.61090504
   0.35273087  0.97916005  0.66819188
   0.61943892  0.14295558  1.00677422
   0.82924772  0.12382959  0.33902150
   0.61433082  0.41166635  0.11694647
   0.89125126  0.29233077  0.15882819
   0.60429993  0.17029014  0.49387378
   0.87395619  0.08898787  0.88567608
   0.60452258  0.44350219  0.62309345
   0.77103390  0.34743900  0.81060911
   0.62751160  0.65811454  0.00231551
   0.91542035  0.59687385  0.37185247
   0.59055230  0.90090349  0.13824322
   0.84066883  0.84266759  0.25656421
   0.65432920  0.66670848  0.47141943
   0.87225236  0.61731066  0.88028308
   0.61799581  0.90722972  0.62168050
   0.83077416  0.86120705  0.75570912
   0.10002719  0.04202868  0.16119110
   0.35000403  0.18519419  0.27430789
   0.13726006  0.33687054  0.01117026
   0.36059476  0.42890324  0.34196457
   0.53036770  0.37535355  0.21242241
   0.28587056  0.40086078  0.16125261
   0.21787270  0.13647672  0.43277207
  -0.02977113  0.17218774  0.39113745
   0.02067502  0.03868017  0.55955470
   0.46249327  0.24337823  0.78234097
   0.10704228  0.28955295  0.54327249
   0.36625615  0.46887009  0.84586227
   0.45493601  0.45124721  0.66644186
   0.22608724  0.35956825  0.70052089
   0.25068832  0.19353027 -0.12576636
   0.02943492  0.10276512  0.93273548
   0.13596657  0.58407991  0.08803819
   0.39903146  0.67983161  0.29141360
   0.11051557  0.83491123  0.03762292
   0.36043510  0.94035121  0.35059527
   0.42702026  0.89371318  0.16813105
   0.18685119  0.81851990  0.23605094
   0.31059034  0.64465629  0.45572768
   0.07089691  0.58386339  0.41298267
   0.18315095  0.54899729  0.58764075
   0.32191316  0.68524138  0.76206772
   0.11068608  0.79420638  0.52176910
   0.37433076  0.99936613  0.78170573
   0.45729942  0.86993548  0.63053761
   0.20795699  0.91507048  0.66960866
   0.29172817  0.69088625 -0.04084225
   0.02320573  0.63907110  0.91544615
   0.60733164  0.05119019  0.10234014
   0.81682945  0.18175418  0.23338601
   0.60897714  0.29468039  0.02950181
   0.85361781  0.45001591  0.35104041
   0.03323025  0.36863598  0.19308098
   0.77698610  0.41677519  0.15149605
   0.70469327  0.16361440  0.40434942
   0.45748945  0.14369809  0.44809218
   0.63183367  0.05574690  0.57400443
   0.85501235  0.20614512  0.79737671
   0.62576875  0.32426614  0.53891663
   0.86144896  0.46013356  0.86095989
   0.96364174  0.43705928  0.67268152
   0.72225039  0.38424600  0.70454202
   0.75362885  0.08054717  0.95537466
   0.49489201  0.08837603  0.93919027
   0.57202813  0.55494783  0.07387193
   0.90022995  0.69929330  0.28048706
   0.60423822  0.80880213  0.04558273
   0.86419081  0.95799069  0.33231308
   0.91961241  0.86735494  0.15557621
   0.67252183  0.86221550  0.23682953
   0.81621863  0.66781434  0.45627180
   0.56834400  0.55913913  0.39800829
   0.65558408  0.59182314  0.58025229
   0.81885152  0.70931420  0.79654219
   0.58715250  0.81832263  0.45804400
   0.91478219  0.95068887  0.82891533
   0.94567532  0.84716645  0.67326007
   0.68022376  0.93260962  0.72841974
   0.78396903  0.63657506  0.98151099
   0.53689998  0.65055278  0.89790296
   0.73386715  0.81593925  0.58136921
   0.53312169  0.85925474  0.39839383
   0.89832632  0.19323285  0.07745399
   0.87282451  0.36750604  0.38785568
   0.36129437  0.09586159  0.60944942
   0.26689823  0.76494161  0.75731539
   0.17016803  1.07293027  0.20754137
   0.24011120  1.10761844  0.04671814
   0.65571460  0.33268573  0.86949977
   0.86039596  0.43464598  0.66991761
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913290    0.252478   -0.145174
    -0.000000    9.834219    0.077631
    -0.000000    0.000000   13.982961
   Si   O    H 
    32    64    10
Direct configuration=  2047
   0.16083816  0.17387812 -0.03279917
   0.34778185  0.09636139  0.37773661
   0.13543020  0.42096289  0.10846104
   0.38069814  0.33614908  0.24891854
   0.07516379  0.15326264  0.48615225
   0.39612134  0.12517707  0.85062608
   0.10844218  0.41117119  0.62548030
   0.36967669  0.38357079  0.75290951
   0.13569061  0.67893752 -0.00472414
   0.40701575  0.57656737  0.37723644
   0.08737116  0.88064354  0.14946087
   0.34639766  0.82797114  0.25830823
   0.16230442  0.64296248  0.49800448
   0.37899553  0.62980625  0.86758724
   0.07588565  0.89577666  0.60990373
   0.35216050  0.97978774  0.66849248
   0.61989544  0.14385827  1.00647601
   0.83038346  0.12356160  0.33958831
   0.61471264  0.41095372  0.11728484
   0.89164473  0.29193077  0.15870484
   0.60453397  0.17010699  0.49370349
   0.87361957  0.08890527  0.88608012
   0.60529809  0.44342186  0.62358948
   0.77112305  0.34744237  0.81019475
   0.62801488  0.65836615  0.00290779
   0.91560236  0.59792528  0.37125080
   0.59116483  0.89974479  0.13851606
   0.83929247  0.84161328  0.25612183
   0.65638021  0.66682009  0.47154996
   0.87288780  0.61732128  0.88010573
   0.61661407  0.90786715  0.62137586
   0.82981502  0.86131238  0.75455720
   0.10069019  0.04082540  0.16113217
   0.34934582  0.18674204  0.27426134
   0.13829184  0.33625016  0.01114026
   0.36100681  0.42727345  0.34180601
   0.53037094  0.37500150  0.21238593
   0.28537437  0.40067977  0.16097296
   0.21765142  0.13540353  0.43161352
  -0.02671109  0.17318794  0.39229413
   0.02103890  0.03857225  0.55990516
   0.46235838  0.24270290  0.78406709
   0.10494400  0.28844309  0.54269135
   0.36628426  0.46906764  0.84732419
   0.45516515  0.45206383  0.66651233
   0.22486237  0.35872353  0.70171633
   0.24969602  0.19301451 -0.12484623
   0.02880008  0.10355315  0.93216112
   0.13769222  0.58552550  0.08985525
   0.39827323  0.67926039  0.29197300
   0.11122625  0.83499052  0.03827191
   0.36104817  0.93827611  0.35112967
   0.42405144  0.89293786  0.16856052
   0.18584833  0.81992645  0.23744115
   0.30947034  0.64549412  0.45587985
   0.07132498  0.58505908  0.41393783
   0.18243829  0.54820767  0.58748675
   0.32103137  0.68514130  0.76273954
   0.11176294  0.79479202  0.52088035
   0.37331728  1.00123615  0.78204480
   0.45942958  0.87114146  0.63119889
   0.20742279  0.91354971  0.66995556
   0.29157849  0.69248822 -0.04124247
   0.02368964  0.64147650  0.91534743
   0.60555225  0.05136363  0.10145409
   0.81649929  0.18127467  0.23263573
   0.60792921  0.29631022  0.02841509
   0.85164797  0.45150791  0.35048304
   0.03240005  0.37067741  0.19355841
   0.77658069  0.41585262  0.15224239
   0.70366321  0.16429122  0.40360326
   0.45578957  0.14307774  0.44777427
   0.63189385  0.05396888  0.57416612
   0.85604420  0.20768061  0.79774349
   0.62694746  0.32388354  0.53856634
   0.86184818  0.45961850  0.86056929
   0.96537341  0.43544715  0.67187136
   0.72353982  0.38575232  0.70383216
   0.75337930  0.08189358  0.95561881
   0.49400975  0.08844118  0.93880596
   0.57288523  0.55537600  0.07376619
   0.90078717  0.69822632  0.28154142
   0.60442133  0.81122453  0.04534536
   0.86369864  0.95901862  0.33297080
   0.91913414  0.86667213  0.15652185
   0.67047491  0.86183809  0.23545181
   0.81687609  0.66664209  0.45662130
   0.56931977  0.55869448  0.39845740
   0.65389284  0.59134020  0.58010886
   0.81809320  0.71017170  0.79655129
   0.58689440  0.81804146  0.45792318
   0.91712695  0.95137666  0.82986131
   0.94675143  0.84834701  0.67336509
   0.68068826  0.93286673  0.72845881
   0.78403324  0.63884216  0.98175236
   0.53627163  0.65061219  0.89796850
   0.73707988  0.81862432  0.58011896
   0.52775526  0.85292165  0.39626536
   0.89655106  0.18728379  0.07933691
   0.87037540  0.37438650  0.39128821
   0.35750013  0.09583121  0.61007749
   0.27052005  0.77390248  0.75546943
   0.16866877  1.06811509  0.20777536
   0.23022884  1.10675497  0.04570793
   0.65727440  0.33344445  0.86971413
   0.87028431  0.44186935  0.67057048
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912251    0.252893   -0.145293
    -0.000000    9.837528    0.077972
    -0.000000    0.000000   13.983667
   Si   O    H 
    32    64    10
Direct configuration=  2048
   0.16111141  0.17315699 -0.03222815
   0.34657691  0.09613419  0.37760642
   0.13526047  0.42084511  0.10821128
   0.38082080  0.33676915  0.24844297
   0.07572682  0.15406201  0.48581679
   0.39730346  0.12535368  0.84980448
   0.11010921  0.41079670  0.62566470
   0.37004334  0.38443035  0.75344395
   0.13591181  0.67813585 -0.00498941
   0.40866776  0.57628621  0.37786108
   0.08825905  0.87915201  0.14914684
   0.34636613  0.82707250  0.25793853
   0.16207217  0.64337151  0.49782576
   0.37945732  0.63010890  0.86757741
   0.07475568  0.89624919  0.60875054
   0.35120968  0.98024072  0.66893275
   0.62066894  0.14362103  1.00581751
   0.83172528  0.12313160  0.34052026
   0.61512965  0.40995343  0.11782579
   0.89160697  0.29129347  0.15807916
   0.60513296  0.17027614  0.49361946
   0.87453077  0.08939764  0.88608762
   0.60643875  0.44328508  0.62375225
   0.77088291  0.34732292  0.80955016
   0.62789623  0.65866871  0.00306776
   0.91586108  0.59865623  0.37119894
   0.59114816  0.89877150  0.13871902
   0.83828959  0.84048995  0.25571490
   0.65797054  0.66629048  0.47198225
   0.87407058  0.61739593  0.88051776
   0.61523754  0.90837768  0.62136396
   0.82938108  0.86165702  0.75326561
   0.10040695  0.03930798  0.16147250
   0.34970453  0.18783341  0.27468051
   0.13921603  0.33575854  0.01042151
   0.36134242  0.42554053  0.34271104
   0.53085374  0.37496487  0.21267668
   0.28477045  0.40015281  0.16105065
   0.21787312  0.13453259  0.43028229
  -0.02415698  0.17354267  0.39343774
   0.02189213  0.03836508  0.56032726
   0.46204132  0.24181038  0.78513326
   0.10322347  0.28788587  0.54280117
   0.36609191  0.46915261  0.84859525
   0.45531310  0.45237517  0.66743172
   0.22469210  0.35835751  0.70305272
   0.24880670  0.19262257 -0.12367372
   0.02743334  0.10437654  0.93200658
   0.13877003  0.58706380  0.09206451
   0.39765568  0.67940362  0.29182831
   0.11191949  0.83585745  0.03928787
   0.36241197  0.93629401  0.35181082
   0.42194555  0.89220651  0.16829802
   0.18471574  0.82211530  0.23844713
   0.30889442  0.64607846  0.45552677
   0.07239420  0.58543962  0.41427475
   0.18194886  0.54711748  0.58705116
   0.31966399  0.68517905  0.76300480
   0.11315988  0.79625561  0.52005996
   0.37276827  1.00282292  0.78213950
   0.46120357  0.87225800  0.63197223
   0.20658650  0.91227306  0.67054795
   0.29096712  0.69399126 -0.04144571
   0.02502449  0.64350393  0.91478359
   0.60393083  0.05179581  0.10124744
   0.81618458  0.18167952  0.23147839
   0.60648813  0.29799534  0.02734496
   0.84929645  0.45280758  0.35003487
   0.03177516  0.37234124  0.19424576
   0.77623199  0.41523720  0.15293967
   0.70347160  0.16513092  0.40294449
   0.45526930  0.14237648  0.44766846
   0.63241256  0.05286955  0.57431785
   0.85729437  0.20890512  0.79836827
   0.62817247  0.32333426  0.53770089
   0.86214743  0.45850582  0.86049229
   0.96721564  0.43409130  0.67082722
   0.72394092  0.38760904  0.70224401
   0.75324777  0.08306346  0.95654331
   0.49301645  0.08815301  0.93903348
   0.57331609  0.55578228  0.07446717
   0.90206816  0.69644108  0.28270120
   0.60430610  0.81350570  0.04495648
   0.86262866  0.96093838  0.33390508
   0.91838324  0.86621213  0.15735527
   0.66946735  0.86126631  0.23443567
   0.81729982  0.66600888  0.45669237
   0.56967091  0.55852552  0.39914869
   0.65238062  0.59170121  0.58032583
   0.81716032  0.71184098  0.79640194
   0.58653868  0.81844784  0.45820096
   0.91842949  0.95114401  0.83066594
   0.94727852  0.84886764  0.67329783
   0.68085647  0.93372227  0.72810448
   0.78504661  0.64093083  0.98234903
   0.53597795  0.65122569  0.89820206
   0.73719712  0.82164127  0.58252102
   0.52910599  0.84171093  0.40579238
   0.89576632  0.18785514  0.08488476
   0.86896633  0.37759050  0.39553451
   0.35446305  0.10114688  0.60764940
   0.27777910  0.78018682  0.75474226
   0.16589575  1.06865184  0.20737616
   0.22304424  1.10521993  0.04425707
   0.65529482  0.33400322  0.87131978
   0.87199795  0.44876207  0.66928924
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911187    0.253354   -0.145015
    -0.000000    9.840854    0.078318
    -0.000000    0.000000   13.985059
   Si   O    H 
    32    64    10
Direct configuration=  2049
   0.16136605  0.17199014 -0.03141666
   0.34610723  0.09634257  0.37728063
   0.13509457  0.42076911  0.10823029
   0.38110799  0.33801244  0.24817691
   0.07593645  0.15447347  0.48555276
   0.39865124  0.12582150  0.84928097
   0.11132713  0.41011503  0.62623233
   0.37047010  0.38525913  0.75383954
   0.13604513  0.67780615 -0.00507108
   0.41034935  0.57615336  0.37860413
   0.08853214  0.87760793  0.14889500
   0.34689106  0.82615844  0.25728239
   0.16194585  0.64366251  0.49774436
   0.38063110  0.63045817  0.86778732
   0.07251276  0.89660777  0.60744436
   0.35048549  0.98126096  0.66889219
   0.62119478  0.14265141  1.00506010
   0.83337648  0.12250956  0.34163378
   0.61659864  0.40885406  0.11836832
   0.89146783  0.29147089  0.15720341
   0.60546439  0.17026899  0.49347166
   0.87604859  0.09001607  0.88634678
   0.60788521  0.44312477  0.62388650
   0.77056676  0.34685934  0.80889195
   0.62735608  0.65916140  0.00320561
   0.91603896  0.59953091  0.37092290
   0.59040433  0.89756978  0.13880952
   0.83760715  0.84003671  0.25531001
   0.65948673  0.66551744  0.47254275
   0.87515100  0.61758060  0.88132141
   0.61469420  0.90922984  0.62133568
   0.82926888  0.86192777  0.75210614
   0.09932723  0.03889779  0.16161510
   0.34909506  0.18873683  0.27544627
   0.13920605  0.33499385  0.00991568
   0.36191178  0.42484015  0.34386139
   0.53048412  0.37535191  0.21296923
   0.28350918  0.39947665  0.16151102
   0.21716084  0.13390010  0.42903001
  -0.02196876  0.17502963  0.39388002
   0.02230711  0.03905132  0.56058103
   0.46199207  0.24155852  0.78524975
   0.10107270  0.28837604  0.54313591
   0.36554683  0.46893073  0.84981779
   0.45551117  0.45338513  0.66821334
   0.22464719  0.35795619  0.70408332
   0.24885495  0.19308879 -0.12279455
   0.02559514  0.10519479  0.93224091
   0.13970190  0.58725377  0.09399936
   0.39702108  0.67955830  0.29093080
   0.11318236  0.83589708  0.04020233
   0.36396489  0.93445631  0.35201892
   0.42113971  0.89170922  0.16831245
   0.18499072  0.82411576  0.23938729
   0.30871669  0.64660224  0.45536965
   0.07228506  0.58569629  0.41384343
   0.18188202  0.54576764  0.58689085
   0.31889595  0.68589281  0.76364405
   0.11374359  0.79641008  0.51999055
   0.37251385  1.00361298  0.78195566
   0.46284563  0.87176357  0.63249001
   0.20656053  0.91149404  0.67167251
   0.29001582  0.69497083 -0.04207293
   0.02715711  0.64498862  0.91434770
   0.60268059  0.05408880  0.10086119
   0.81496212  0.18219376  0.23136249
   0.60540069  0.30017944  0.02709617
   0.84681203  0.45371585  0.34940544
   0.03118553  0.37388617  0.19479051
   0.77500480  0.41396836  0.15279131
   0.70320704  0.16596636  0.40199021
   0.45624411  0.14237687  0.44774036
   0.63230391  0.05241469  0.57390715
   0.85861430  0.20938085  0.79886482
   0.62869640  0.32391407  0.53706344
   0.86312701  0.45752372  0.85980231
   0.96999309  0.43396856  0.66933909
   0.72439055  0.39000909  0.70021654
   0.75333796  0.08384553  0.95687642
   0.49132709  0.08782131  0.93948913
   0.57283235  0.55638557  0.07480686
   0.90226936  0.69436421  0.28370367
   0.60394395  0.81579052  0.04418629
   0.86185812  0.96241212  0.33465565
   0.91892410  0.86536888  0.15801073
   0.66909899  0.86113860  0.23394649
   0.81737217  0.66574376  0.45635357
   0.57014036  0.55848535  0.40041722
   0.65027125  0.59186431  0.58116243
   0.81578625  0.71380802  0.79563256
   0.58674133  0.81867975  0.45851916
   0.91890674  0.95093746  0.83137122
   0.94742102  0.84826988  0.67372407
   0.68209485  0.93474296  0.72790856
   0.78644379  0.64315413  0.98202582
   0.53652112  0.65214537  0.89868266
   0.73192751  0.82612841  0.58606096
   0.52564487  0.83396476  0.41157108
   0.89743407  0.19143817  0.08746129
   0.86921382  0.38382312  0.39987809
   0.35060863  0.10585549  0.60648819
   0.28686755  0.78224925  0.75471790
   0.16729632  1.07049201  0.20947816
   0.21981798  1.09899096  0.04450734
   0.65273676  0.33461234  0.87021992
   0.87055373  0.45409558  0.66749598
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910067    0.253399   -0.144556
    -0.000000    9.844487    0.079033
    -0.000000    0.000000   13.986815
   Si   O    H 
    32    64    10
Direct configuration=  2050
   0.16151936  0.17128380 -0.03059136
   0.34575096  0.09593147  0.37693530
   0.13577586  0.42046699  0.10822298
   0.38138594  0.33870856  0.24796551
   0.07619092  0.15478841  0.48464544
   0.39984818  0.12688306  0.84928061
   0.11297278  0.40950552  0.62691088
   0.37089980  0.38588783  0.75456910
   0.13653301  0.67789782 -0.00520783
   0.41199042  0.57531969  0.37952913
   0.08838769  0.87627377  0.14842674
   0.34670551  0.82563548  0.25650566
   0.16208139  0.64333356  0.49752252
   0.38164282  0.63088032  0.86820344
   0.07067798  0.89732652  0.60592948
   0.34939020  0.98220240  0.66869904
   0.62137402  0.14132082  1.00434059
   0.83543163  0.12192131  0.34245085
   0.61816907  0.40811307  0.11880347
   0.89153281  0.29120643  0.15679701
   0.60565905  0.17008513  0.49297764
   0.87718923  0.09127857  0.88628052
   0.60891287  0.44295440  0.62373822
   0.77033989  0.34622421  0.80826986
   0.62674955  0.66067445  0.00314482
   0.91621689  0.59974837  0.37120298
   0.58900281  0.89661783  0.13877744
   0.83671896  0.83977535  0.25447887
   0.66021096  0.66471334  0.47287521
   0.87651578  0.61826573  0.88200536
   0.61485925  0.90969463  0.62155289
   0.82972943  0.86251924  0.75111827
   0.09879103  0.03851898  0.16155264
   0.34874674  0.18900482  0.27679528
   0.13902717  0.33429477  0.00956743
   0.36300534  0.42381836  0.34487989
   0.53086984  0.37561228  0.21299361
   0.28255353  0.39825894  0.16200618
   0.21561022  0.13316665  0.42744054
  -0.02029909  0.17630269  0.39409604
   0.02287399  0.03982763  0.56050526
   0.46192495  0.24193052  0.78458816
   0.09897505  0.28904185  0.54438509
   0.36433093  0.46916113  0.85125253
   0.45619360  0.45493561  0.66888360
   0.22504168  0.35710273  0.70508421
   0.24879989  0.19326350 -0.12200853
   0.02343989  0.10713943  0.93285587
   0.14018220  0.58629715  0.09522971
   0.39680272  0.68010023  0.29001234
   0.11479919  0.83572861  0.04062103
   0.36548455  0.93293601  0.35238510
   0.42171385  0.89063336  0.16860433
   0.18451784  0.82562163  0.24006154
   0.30960901  0.64664537  0.45559469
   0.07145589  0.58590818  0.41297929
   0.18212233  0.54432501  0.58669375
   0.31802049  0.68640172  0.76417867
   0.11410344  0.79616984  0.52017148
   0.37270805  1.00454588  0.78219052
   0.46384567  0.87123000  0.63292964
   0.20562960  0.91122909  0.67288648
   0.28986945  0.69506268 -0.04271393
   0.02900595  0.64612880  0.91390247
   0.60223535  0.05674888  0.10130008
   0.81433535  0.18288206  0.23125156
   0.60474153  0.30245138  0.02704390
   0.84507680  0.45399746  0.34917672
   0.03044925  0.37461541  0.19478320
   0.77442709  0.41235690  0.15253869
   0.70290868  0.16684438  0.40177783
   0.45893817  0.14225938  0.44861597
   0.63195977  0.05326570  0.57304811
   0.86034662  0.21003728  0.79942274
   0.62875214  0.32439557  0.53685569
   0.86438769  0.45652535  0.85936276
   0.97170658  0.43402940  0.66847245
   0.72404176  0.39335524  0.69805604
   0.75290669  0.08490666  0.95653769
   0.49015371  0.08698557  0.94057676
   0.57242417  0.55671369  0.07545740
   0.90292015  0.69226962  0.28435537
   0.60432782  0.81672731  0.04286824
   0.86102316  0.96354679  0.33518029
   0.91908179  0.86540068  0.15839373
   0.66939369  0.86150299  0.23343876
   0.81793107  0.66603920  0.45578367
   0.57063398  0.55835860  0.40178841
   0.64805786  0.59168007  0.58175229
   0.81370632  0.71501906  0.79536845
   0.58802477  0.81798087  0.45933707
   0.91871886  0.94952050  0.83206462
   0.94724397  0.84792378  0.67437430
   0.68438143  0.93554729  0.72844748
   0.78727833  0.64542161  0.98165756
   0.53812435  0.65412981  0.89888042
   0.72560082  0.83157736  0.59127958
   0.50932672  0.82802055  0.40642875
   0.90323330  0.19530077  0.08362244
   0.87180870  0.39008231  0.40258761
   0.34907225  0.10720418  0.60764087
   0.29320575  0.78176500  0.75603098
   0.16810232  1.07162538  0.20925610
   0.22532905  1.09036705  0.04539427
   0.65001029  0.33323197  0.86738574
   0.87324943  0.45773755  0.66583071
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908546    0.254001   -0.143802
    -0.000000    9.848358    0.079698
    -0.000000    0.000000   13.988263
   Si   O    H 
    32    64    10
Direct configuration=  2051
   0.16176769  0.17055550 -0.02953933
   0.34566430  0.09566206  0.37648911
   0.13631093  0.41969086  0.10891002
   0.38168633  0.33918410  0.24786833
   0.07627181  0.15529616  0.48360888
   0.40050811  0.12826926  0.84955335
   0.11436302  0.40837232  0.62695889
   0.37086477  0.38575829  0.75532154
   0.13689514  0.67858713 -0.00487838
   0.41358106  0.57502591  0.38026342
   0.08848392  0.87521725  0.14802688
   0.34632529  0.82556524  0.25510208
   0.16212117  0.64264192  0.49739165
   0.38244495  0.63197372  0.86849731
   0.06927946  0.89750597  0.60452436
   0.34818206  0.98325796  0.66861113
   0.62120426  0.13976689  1.00377857
   0.83753115  0.12167579  0.34337907
   0.61894685  0.40788275  0.11891871
   0.89126200  0.29120889  0.15663134
   0.60590953  0.16981616  0.49272363
   0.87871040  0.09221240  0.88608157
   0.60917899  0.44261486  0.62316987
   0.76990697  0.34595391  0.80789728
   0.62629833  0.66241535  0.00273106
   0.91668431  0.59967420  0.37182748
   0.58668710  0.89649586  0.13826762
   0.83615009  0.83994099  0.25378915
   0.65977569  0.66358269  0.47335963
   0.87737233  0.61855485  0.88238223
   0.61514155  0.91016704  0.62182291
   0.83070257  0.86275847  0.75047327
   0.09867593  0.03811044  0.16195049
   0.34884329  0.18913736  0.27813426
   0.13846578  0.33376918  0.00877879
   0.36391451  0.42329922  0.34573969
   0.53132599  0.37505855  0.21273031
   0.28202037  0.39642847  0.16261920
   0.21374932  0.13240408  0.42653847
  -0.01899870  0.17718662  0.39383085
   0.02409212  0.04041310  0.56059773
   0.46255233  0.24269337  0.78427654
   0.09619956  0.28984340  0.54576581
   0.36266029  0.46953360  0.85220183
   0.45632476  0.45641572  0.66937238
   0.22498438  0.35631313  0.70554449
   0.24971203  0.19344075 -0.12106590
   0.02179236  0.10884157  0.93282714
   0.14088766  0.58523777  0.09645341
   0.39665962  0.68165814  0.28929968
   0.11689616  0.83522182  0.04036105
   0.36686566  0.93104625  0.35211034
   0.42298057  0.89019241  0.16891518
   0.18296894  0.82660485  0.24079721
   0.31073439  0.64633608  0.45586565
   0.07031760  0.58655843  0.41236911
   0.18230089  0.54308102  0.58650401
   0.31758169  0.68671429  0.76514355
   0.11429589  0.79612751  0.52050775
   0.37291148  1.00573923  0.78205153
   0.46458364  0.87121526  0.63321900
   0.20471573  0.91075083  0.67375068
   0.28988971  0.69498859 -0.04360673
   0.03070492  0.64784990  0.91382468
   0.60250905  0.05884541  0.10188792
   0.81407962  0.18412965  0.23154919
   0.60418819  0.30447039  0.02741278
   0.84366232  0.45429314  0.34939143
   0.02944515  0.37488871  0.19473926
   0.77411557  0.41025961  0.15209690
   0.70264223  0.16705197  0.40136038
   0.46214223  0.14242301  0.44960418
   0.63249447  0.05461500  0.57180510
   0.86190494  0.20975524  0.80005869
   0.62845585  0.32536848  0.53641461
   0.86596906  0.45579479  0.85894333
   0.97301470  0.43397969  0.66741000
   0.72365357  0.39640933  0.69584486
   0.75266222  0.08581085  0.95641445
   0.48819210  0.08619790  0.94153435
   0.57148093  0.55669993  0.07600434
   0.90357952  0.69120316  0.28474942
   0.60488865  0.81664442  0.04168690
   0.86057316  0.96305879  0.33575052
   0.91883995  0.86668588  0.15853336
   0.67043095  0.86130366  0.23346366
   0.81882385  0.66704909  0.45514245
   0.57102243  0.55819295  0.40312251
   0.64602763  0.59110293  0.58225533
   0.81163731  0.71530200  0.79508144
   0.58863222  0.81701170  0.45994954
   0.91767796  0.94791104  0.83257932
   0.94726998  0.84859814  0.67503766
   0.68681097  0.93638732  0.72929882
   0.78830066  0.64723912  0.98127930
   0.53922403  0.65513948  0.89864568
   0.72000147  0.82870259  0.59283493
   0.49799206  0.82031963  0.40900197
   0.91321386  0.19885312  0.07763551
   0.86894191  0.39787653  0.40462959
   0.34961488  0.10768266  0.61026389
   0.30287862  0.77947350  0.75763383
   0.16369871  1.06984578  0.20651815
   0.23332845  1.08454762  0.04616238
   0.64699923  0.33313971  0.86449184
   0.87854825  0.45776459  0.66069679
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907778    0.255072   -0.143044
    -0.000000    9.852190    0.080595
    -0.000000    0.000000   13.989671
   Si   O    H 
    32    64    10
Direct configuration=  2052
   0.16198956  0.16976892 -0.02846983
   0.34610601  0.09551767  0.37587262
   0.13743337  0.41934294  0.10940613
   0.38187722  0.34010495  0.24717938
   0.07643199  0.15574282  0.48308525
   0.40074326  0.13018944  0.84969900
   0.11555742  0.40762878  0.62671851
   0.37087181  0.38535233  0.75559760
   0.13672956  0.67884881 -0.00464246
   0.41429781  0.57445607  0.38040737
   0.08818038  0.87442742  0.14794934
   0.34619436  0.82584821  0.25406629
   0.16232249  0.64189278  0.49683734
   0.38316215  0.63306726  0.86829720
   0.06837308  0.89777919  0.60327349
   0.34696705  0.98459497  0.66880627
   0.61988049  0.13918708  1.00356169
   0.83952857  0.12204537  0.34402694
   0.61944727  0.40763100  0.11946978
   0.89097923  0.29150324  0.15682984
   0.60625233  0.16962359  0.49255333
   0.88073004  0.09322243  0.88538719
   0.60942703  0.44248799  0.62267238
   0.76957087  0.34541876  0.80738491
   0.62588570  0.66451211  0.00225755
   0.91649261  0.59962464  0.37300303
   0.58490262  0.89688627  0.13765171
   0.83569681  0.84076978  0.25307840
   0.65902257  0.66256567  0.47444464
   0.87789238  0.61846945  0.88279998
   0.61572355  0.91105719  0.62187145
   0.83169483  0.86315597  0.75044282
   0.09827055  0.03916880  0.16221178
   0.34866534  0.18757467  0.27934453
   0.13823017  0.33281521  0.00845939
   0.36414916  0.42267208  0.34636199
   0.53168223  0.37487787  0.21234189
   0.28226406  0.39354318  0.16268121
   0.21154172  0.13169731  0.42601981
  -0.01905583  0.17780548  0.39382958
   0.02549046  0.04192099  0.56006330
   0.46302185  0.24467620  0.78333496
   0.09405092  0.29065733  0.54666390
   0.36020500  0.46945925  0.85310090
   0.45669736  0.45754479  0.67018600
   0.22518975  0.35602986  0.70600033
   0.25120471  0.19327627 -0.12035260
   0.02128383  0.11005634  0.93341144
   0.14172068  0.58409782  0.09687667
   0.39673423  0.68280714  0.28851581
   0.11899448  0.83523076  0.03963298
   0.36813205  0.92926155  0.35167665
   0.42369678  0.88870583  0.16920319
   0.18197446  0.82651801  0.24142902
   0.31234718  0.64543327  0.45614025
   0.06936018  0.58750529  0.41167154
   0.18169123  0.54156651  0.58562896
   0.31866075  0.68649568  0.76664823
   0.11423784  0.79585159  0.52109842
   0.37306530  1.00618759  0.78182215
   0.46518429  0.87093862  0.63340477
   0.20393658  0.90938214  0.67461621
   0.28882767  0.69452131 -0.04486080
   0.03155482  0.64851582  0.91369369
   0.60244796  0.06014610  0.10273234
   0.81355395  0.18558783  0.23181043
   0.60331262  0.30546343  0.02782220
   0.84238133  0.45499441  0.34996721
   0.02830415  0.37480846  0.19482008
   0.77379992  0.40881116  0.15125140
   0.70218554  0.16719058  0.40154638
   0.46448446  0.14199784  0.45081133
   0.63238454  0.05570350  0.57013235
   0.86263951  0.20889739  0.80161843
   0.62732841  0.32652116  0.53650018
   0.86885910  0.45561039  0.85840516
   0.97422638  0.43478220  0.66688490
   0.72309054  0.39824844  0.69449460
   0.75353333  0.08571297  0.95619864
   0.48661446  0.08524870  0.94248078
   0.57069592  0.55625154  0.07677495
   0.90416180  0.69084733  0.28480356
   0.60571525  0.81633914  0.04018337
   0.86053125  0.96150039  0.33551304
   0.91866552  0.86829443  0.15758884
   0.67096211  0.86194541  0.23328766
   0.82006922  0.66645730  0.45515839
   0.57133980  0.55788928  0.40460775
   0.64440585  0.59064611  0.58272906
   0.80994128  0.71511791  0.79550067
   0.58874118  0.81644073  0.46015179
   0.91563542  0.94646698  0.83309617
   0.94779537  0.84859397  0.67490645
   0.68897565  0.93748612  0.73044830
   0.78983946  0.64828988  0.98072502
   0.54029192  0.65658651  0.89881832
   0.71682259  0.82334412  0.59107796
   0.49760581  0.81640664  0.41913525
   0.92551506  0.20346511  0.07012037
   0.86607703  0.39890594  0.40489050
   0.35177938  0.11322776  0.61151844
   0.30749738  0.78920492  0.75954752
   0.16613929  1.06930464  0.20444694
   0.23998049  1.08531123  0.04474688
   0.64345817  0.33458997  0.86284331
   0.88258734  0.45410409  0.65407707
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906724    0.255457   -0.141798
    -0.000000    9.856264    0.081301
    -0.000000    0.000000   13.991293
   Si   O    H 
    32    64    10
Direct configuration=  2053
   0.16217674  0.16874997 -0.02739998
   0.34701003  0.09544616  0.37500571
   0.13788543  0.41916445  0.10974114
   0.38183051  0.34069804  0.24651415
   0.07649602  0.15613966  0.48324543
   0.40097109  0.13178864  0.85013684
   0.11688200  0.40665728  0.62653716
   0.37057206  0.38510845  0.75549829
   0.13698559  0.67898146 -0.00397728
   0.41486729  0.57387078  0.38053294
   0.08760649  0.87332651  0.14822649
   0.34614696  0.82582807  0.25360792
   0.16292979  0.64140682  0.49648490
   0.38347737  0.63402550  0.86868531
   0.06784390  0.89732466  0.60250044
   0.34584138  0.98608442  0.66914918
   0.61830927  0.13912005  1.00355178
   0.84118947  0.12213070  0.34466423
   0.61889441  0.40737399  0.11993547
   0.89125812  0.29189005  0.15711633
   0.60746661  0.16980121  0.49226567
   0.88254112  0.09324499  0.88418471
   0.61000014  0.44226429  0.62214400
   0.76928111  0.34523146  0.80720089
   0.62528361  0.66646391  0.00151000
   0.91672548  0.59898507  0.37399555
   0.58338143  0.89773404  0.13684259
   0.83558539  0.84120126  0.25209859
   0.65795094  0.66165138  0.47509089
   0.87767519  0.61796880  0.88290780
   0.61661577  0.91212694  0.62185505
   0.83254757  0.86395166  0.75055325
   0.09691500  0.03979343  0.16210953
   0.34820412  0.18647138  0.28022545
   0.13847074  0.33173568  0.00809545
   0.36463955  0.42148942  0.34744983
   0.53202774  0.37438429  0.21209697
   0.28324809  0.38968990  0.16269009
   0.20894706  0.13087103  0.42617627
  -0.02026487  0.17781110  0.39450142
   0.02694124  0.04389730  0.55907334
   0.46354438  0.24735725  0.78281387
   0.09322413  0.29065336  0.54758156
   0.35823597  0.46918496  0.85435125
   0.45736857  0.45795978  0.67088993
   0.22579127  0.35600962  0.70618218
   0.25343991  0.19365344 -0.12038349
   0.02089980  0.11183948  0.93393819
   0.14153371  0.58322823  0.09641632
   0.39703902  0.68347887  0.28869727
   0.12112909  0.83446000  0.03865873
   0.36906384  0.92796736  0.35108659
   0.42440568  0.88792362  0.16859210
   0.18144605  0.82596879  0.24151914
   0.31413075  0.64428447  0.45605310
   0.06834375  0.58809220  0.41117013
   0.18083689  0.54035020  0.58427290
   0.31953206  0.68611787  0.76809992
   0.11387560  0.79606271  0.52086423
   0.37442424  1.00558105  0.78179951
   0.46500434  0.87121838  0.63403006
   0.20288166  0.90859760  0.67540657
   0.28863416  0.69381205 -0.04562735
   0.03264875  0.64962602  0.91373293
   0.60317720  0.06089711  0.10321580
   0.81311707  0.18642252  0.23220847
   0.60347688  0.30640898  0.02809443
   0.84149647  0.45600102  0.35052213
   0.02746389  0.37478632  0.19425639
   0.77352263  0.40721522  0.15060684
   0.70226911  0.16750923  0.40206640
   0.46631429  0.14149852  0.45133575
   0.63342683  0.05618546  0.56852832
   0.86340296  0.20812525  0.80280028
   0.62593584  0.32807615  0.53650918
   0.87129541  0.45504720  0.85849997
   0.97593438  0.43608037  0.66690316
   0.72329793  0.39979987  0.69325383
   0.75526348  0.08568636  0.95633555
   0.48567605  0.08377445  0.94312215
   0.57032919  0.55585077  0.07757346
   0.90506504  0.69132395  0.28408421
   0.60612019  0.81553584  0.03880084
   0.86096256  0.95879818  0.33535208
   0.91870885  0.86987278  0.15664162
   0.67156403  0.86236547  0.23264822
   0.82071228  0.66662121  0.45557586
   0.57183834  0.55774383  0.40650444
   0.64343154  0.59005843  0.58315998
   0.80789770  0.71476611  0.79594632
   0.58858486  0.81522889  0.46024079
   0.91279342  0.94578808  0.83344540
   0.94843453  0.84931571  0.67451103
   0.69048621  0.93814078  0.73130394
   0.79072663  0.64875361  0.98025411
   0.54149714  0.65742160  0.89934722
   0.71872098  0.81258942  0.59007370
   0.50340038  0.81409181  0.43175641
   0.93381057  0.21086527  0.06275581
   0.86670818  0.39503023  0.40702232
   0.35386254  0.11495132  0.61176386
   0.30922507  0.79213937  0.76335992
   0.17172765  1.07252628  0.20525362
   0.24526058  1.08767801  0.04105766
   0.63926453  0.33675955  0.85730233
   0.87989538  0.44939286  0.64459256
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906053    0.255936   -0.140913
    -0.000000    9.860803    0.081589
    -0.000000    0.000000   13.993617
   Si   O    H 
    32    64    10
Direct configuration=  2054
   0.16197861  0.16761953 -0.02629915
   0.34796078  0.09535661  0.37458536
   0.13808822  0.41812013  0.10994020
   0.38153430  0.34143953  0.24640464
   0.07701822  0.15651840  0.48351845
   0.40141417  0.13297991  0.85100629
   0.11904414  0.40527809  0.62623867
   0.36991677  0.38494881  0.75566766
   0.13776880  0.67923853 -0.00285128
   0.41496439  0.57395455  0.38044325
   0.08661306  0.87179393  0.14836608
   0.34604944  0.82612398  0.25398047
   0.16296560  0.64036701  0.49618528
   0.38439627  0.63422199  0.86874488
   0.06710577  0.89673724  0.60179499
   0.34558795  0.98735401  0.66920627
   0.61640339  0.13898287  1.00380900
   0.84231456  0.12222466  0.34509613
   0.61802855  0.40685993  0.12062440
   0.89152034  0.29179962  0.15829428
   0.60833468  0.17017223  0.49189604
   0.88448017  0.09303957  0.88277604
   0.60980102  0.44162412  0.62129155
   0.76883025  0.34539908  0.80698945
   0.62548606  0.66707095  0.00066828
   0.91685117  0.59863822  0.37503453
   0.58168251  0.89888961  0.13587733
   0.83557232  0.84130690  0.25107142
   0.65712588  0.66063384  0.47585309
   0.87745308  0.61692830  0.88287952
   0.61834348  0.91312912  0.62241302
   0.83390797  0.86503712  0.75080183
   0.09564099  0.04149815  0.16159721
   0.34812334  0.18537051  0.28077071
   0.13783691  0.33063901  0.00801341
   0.36514073  0.42109215  0.34854648
   0.53178816  0.37354763  0.21184038
   0.28472080  0.38616021  0.16250636
   0.20743961  0.12965744  0.42599944
  -0.02292374  0.17832967  0.39508765
   0.02781453  0.04562008  0.55785127
   0.46467144  0.24964121  0.78206678
   0.09251385  0.29038521  0.54748913
   0.35669014  0.46864270  0.85567348
   0.45885123  0.45790646  0.67178124
   0.22569558  0.35633801  0.70639732
   0.25533035  0.19344853 -0.12067555
   0.02143225  0.11394311  0.93394984
   0.14130559  0.58253684  0.09559723
   0.39698966  0.68376213  0.28896073
   0.12263371  0.83292459  0.03809375
   0.37009311  0.92768940  0.35069872
   0.42547406  0.88768409  0.16800708
   0.17990915  0.82542050  0.24140643
   0.31730132  0.64246374  0.45623566
   0.06656883  0.58935076  0.41108402
   0.18021337  0.53892334  0.58198151
   0.31983975  0.68647031  0.76964994
   0.11442470  0.79492756  0.52023169
   0.37462660  1.00528551  0.78222834
   0.46454022  0.87181280  0.63449904
   0.20150826  0.90754336  0.67551589
   0.28922546  0.69291636 -0.04639351
   0.03335034  0.65096608  0.91347182
   0.60435355  0.06157886  0.10384535
   0.81309957  0.18784854  0.23288740
   0.60362225  0.30661233  0.02792345
   0.84054780  0.45690117  0.35163184
   0.02675478  0.37586129  0.19297702
   0.77374694  0.40680752  0.14994513
   0.70325349  0.16699058  0.40226578
   0.46701428  0.14061768  0.45149140
   0.63451872  0.05594077  0.56742287
   0.86436605  0.20755249  0.80364898
   0.62377174  0.32966054  0.53710600
   0.87235315  0.45424831  0.85870866
   0.97708385  0.43694915  0.66736053
   0.72466789  0.39961080  0.69296430
   0.75686145  0.08633340  0.95643700
   0.48493017  0.08281682  0.94371121
   0.57042734  0.55574410  0.07876604
   0.90607457  0.69230691  0.28349166
   0.60541876  0.81576195  0.03768128
   0.86115589  0.95592810  0.33544179
   0.91964769  0.87093192  0.15570535
   0.67294368  0.86244019  0.23306607
   0.82112293  0.66654100  0.45637366
   0.57329269  0.55794776  0.40864354
   0.64187312  0.59009893  0.58311388
   0.80720934  0.71389787  0.79663657
   0.58816590  0.81441475  0.45980670
   0.91046551  0.94578901  0.83394758
   0.94958313  0.85003632  0.67414993
   0.69224840  0.93879429  0.73249379
   0.79150186  0.64962431  0.98023773
   0.54247813  0.65708223  0.89953882
   0.72026236  0.80790038  0.58933172
   0.50112396  0.81671912  0.44226774
   0.93678336  0.22283556  0.05963266
   0.86575810  0.39260534  0.40445902
   0.36010516  0.11513699  0.61193309
   0.31324371  0.77995917  0.76614441
   0.17374779  1.07314824  0.20199908
   0.25274951  1.09169151  0.04000173
   0.63599700  0.33930360  0.85163776
   0.88557558  0.44523774  0.63786730
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905590    0.256255   -0.140071
    -0.000000    9.865425    0.081733
    -0.000000    0.000000   13.996079
   Si   O    H 
    32    64    10
Direct configuration=  2055
   0.16184373  0.16710997 -0.02536392
   0.34902018  0.09526300  0.37460147
   0.13819142  0.41729289  0.11001314
   0.38163177  0.34218860  0.24645081
   0.07792058  0.15717327  0.48347281
   0.40132469  0.13387319  0.85142131
   0.12093477  0.40395867  0.62636755
   0.36940936  0.38578611  0.75607454
   0.13820365  0.67974668 -0.00149143
   0.41428562  0.57383848  0.37982404
   0.08584748  0.87063425  0.14881056
   0.34530718  0.82673729  0.25470769
   0.16332579  0.63914229  0.49608673
   0.38484326  0.63406058  0.86914797
   0.06653494  0.89601247  0.60101530
   0.34473330  0.98833224  0.66924991
   0.61469143  0.13775250  1.00412521
   0.84331080  0.12278864  0.34505912
   0.61692264  0.40591356  0.12101226
   0.89122566  0.29158479  0.15919521
   0.60931297  0.17099504  0.49153737
   0.88631124  0.09284558  0.88148651
   0.60993626  0.44130652  0.62052389
   0.76857107  0.34536156  0.80610723
   0.62583875  0.66738436 -0.00018299
   0.91623163  0.59812897  0.37597715
   0.58073413  0.90041552  0.13477213
   0.83580809  0.84138658  0.24999082
   0.65697409  0.65935810  0.47673241
   0.87681535  0.61632143  0.88334454
   0.62040215  0.91363775  0.62295444
   0.83532658  0.86525263  0.75133243
   0.09590804  0.04269470  0.16091423
   0.34808706  0.18503584  0.28085396
   0.13671838  0.33003540  0.00822302
   0.36631749  0.42151599  0.34985327
   0.53151325  0.37262784  0.21143088
   0.28468696  0.38313297  0.16228768
   0.20656163  0.12821604  0.42576949
  -0.02573516  0.17856979  0.39535824
   0.02796196  0.04668866  0.55691473
   0.46594370  0.25100388  0.78154365
   0.09281349  0.29114249  0.54731039
   0.35530728  0.46819908  0.85650279
   0.46016197  0.45788112  0.67232900
   0.22557398  0.35691063  0.70621532
   0.25665957  0.19250053 -0.12064615
   0.02211605  0.11626939  0.93433809
   0.14036310  0.58168214  0.09451509
   0.39628148  0.68336291  0.28939512
   0.12417155  0.83185587  0.03760412
   0.37101737  0.92803733  0.34988211
   0.42668937  0.88745796  0.16750703
   0.17915475  0.82418474  0.24112791
   0.32127296  0.64118106  0.45678039
   0.06442978  0.59010463  0.41139549
   0.17972971  0.53830428  0.57930303
   0.31955460  0.68572813  0.77094868
   0.11517441  0.79321135  0.51932932
   0.37441044  1.00449002  0.78252997
   0.46405664  0.87228360  0.63518037
   0.20062896  0.90617543  0.67580567
   0.29035240  0.69170279 -0.04723149
   0.03375577  0.65101844  0.91278709
   0.60671695  0.06182069  0.10506474
   0.81369422  0.18890300  0.23430942
   0.60316250  0.30680847  0.02719331
   0.84041825  0.45637584  0.35297704
   0.02570833  0.37620196  0.19129517
   0.77388883  0.40681751  0.14923960
   0.70512458  0.16628984  0.40239255
   0.46664184  0.13952957  0.45118185
   0.63536841  0.05580203  0.56696004
   0.86504472  0.20711114  0.80453901
   0.62071539  0.33015861  0.53783724
   0.87250646  0.45387287  0.85809923
   0.97739209  0.43866135  0.66840934
   0.72591276  0.39852510  0.69350057
   0.75890907  0.08666675  0.95712960
   0.48374441  0.08209573  0.94381968
   0.57037024  0.55570429  0.07950632
   0.90738668  0.69352670  0.28283483
   0.60445684  0.81646209  0.03766676
   0.86071113  0.95284396  0.33572966
   0.91981631  0.87170364  0.15522272
   0.67413267  0.86251399  0.23339764
   0.82105394  0.66597234  0.45700742
   0.57473188  0.55834774  0.41015233
   0.64101320  0.58949824  0.58272357
   0.80620282  0.71311973  0.79725537
   0.58842275  0.81261049  0.45970837
   0.90888007  0.94643304  0.83479332
   0.95089023  0.85067428  0.67305028
   0.69267636  0.93940365  0.73349961
   0.79224527  0.65043593  0.98000019
   0.54350136  0.65655241  0.89955216
   0.72159667  0.80344660  0.59297772
   0.47914945  0.82053298  0.44609258
   0.93479983  0.23515775  0.06190265
   0.86291799  0.39337559  0.40018420
   0.36269513  0.11451941  0.61309222
   0.31571732  0.78071753  0.76870509
   0.16939643  1.07316967  0.19593935
   0.25479920  1.09368914  0.03793236
   0.63645566  0.34059577  0.84629199
   0.89666919  0.44173965  0.63424362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905092    0.256707   -0.139439
    -0.000000    9.870481    0.081431
    -0.000000    0.000000   13.998455
   Si   O    H 
    32    64    10
Direct configuration=  2056
   0.16204416  0.16651798 -0.02455505
   0.34958466  0.09491159  0.37503187
   0.13823289  0.41620768  0.11018433
   0.38197322  0.34273484  0.24708816
   0.07813521  0.15809620  0.48348890
   0.40139054  0.13494872  0.85161145
   0.12226142  0.40233197  0.62654079
   0.36894643  0.38655096  0.75656942
   0.13898553  0.68029159 -0.00083528
   0.41297326  0.57364893  0.37959350
   0.08529669  0.87000758  0.14913572
   0.34460786  0.82747475  0.25533738
   0.16375530  0.63819362  0.49524587
   0.38488096  0.63349757  0.86919511
   0.06572808  0.89543904  0.60097558
   0.34388380  0.98859920  0.66928547
   0.61343424  0.13640752  1.00451425
   0.84399389  0.12341995  0.34471071
   0.61573481  0.40463059  0.12086094
   0.89059860  0.29107099  0.15980640
   0.61014393  0.17200980  0.49125148
   0.88730889  0.09262702  0.88037715
   0.60985007  0.44076604  0.62012469
   0.76859853  0.34586099  0.80509545
   0.62638491  0.66792145 -0.00107153
   0.91572708  0.59687705  0.37673121
   0.58062525  0.90255789  0.13407729
   0.83671765  0.84122849  0.24938704
   0.65736103  0.65861906  0.47773040
   0.87642138  0.61581301  0.88381272
   0.62220882  0.91396229  0.62349205
   0.83665714  0.86493476  0.75198181
   0.09563349  0.04301177  0.15953966
   0.34888927  0.18516422  0.28057551
   0.13590912  0.32916231  0.00890258
   0.36714414  0.42247874  0.35057348
   0.53125511  0.37213016  0.21164742
   0.28370398  0.38034088  0.16156894
   0.20615734  0.12610265  0.42568939
  -0.02800928  0.17877088  0.39584271
   0.02864763  0.04735850  0.55628674
   0.46680282  0.25250346  0.78107055
   0.09395732  0.29154646  0.54686186
   0.35467653  0.46814224  0.85720660
   0.46154257  0.45732955  0.67299628
   0.22624204  0.35772105  0.70582861
   0.25743201  0.19175878 -0.11981559
   0.02277779  0.11832993  0.93445747
   0.13886054  0.58051856  0.09326341
   0.39673438  0.68292622  0.29001271
   0.12592912  0.83086888  0.03729624
   0.37115813  0.92835845  0.34964742
   0.42772134  0.88743288  0.16607731
   0.17858906  0.82357985  0.24136601
   0.32414695  0.63979622  0.45806111
   0.06312051  0.59125752  0.41197518
   0.17972340  0.53765382  0.57709255
   0.31892365  0.68481901  0.77186849
   0.11511848  0.79143610  0.51803075
   0.37418579  1.00369433  0.78332264
   0.46345518  0.87299789  0.63555919
   0.19995107  0.90533324  0.67545379
   0.29138291  0.69060889 -0.04781631
   0.03386931  0.65140385  0.91165156
   0.60937173  0.06220627  0.10596141
   0.81367367  0.18972859  0.23588781
   0.60336758  0.30666157  0.02617064
   0.84043906  0.45634115  0.35438247
   0.02499488  0.37630240  0.18968597
   0.77409608  0.40702781  0.14884597
   0.70712617  0.16512309  0.40208315
   0.46608946  0.13814042  0.45127647
   0.63658410  0.05634404  0.56696835
   0.86463908  0.20757420  0.80470663
   0.61838398  0.33009477  0.53815680
   0.87131225  0.45388887  0.85778674
   0.97769387  0.44029211  0.66999434
   0.72690395  0.39705688  0.69427090
   0.76020983  0.08770704  0.95760398
   0.48317741  0.08197944  0.94394661
   0.57062678  0.55604837  0.07954851
   0.90788660  0.69487336  0.28159949
   0.60303459  0.81683404  0.03723074
   0.85995081  0.95064773  0.33634187
   0.91970012  0.87193964  0.15499738
   0.67436364  0.86280875  0.23349433
   0.82120709  0.66515492  0.45777636
   0.57544117  0.55953832  0.41115826
   0.63998316  0.58926363  0.58233513
   0.80458597  0.71174567  0.79774064
   0.58768084  0.81125047  0.45907608
   0.90703102  0.94738527  0.83554888
   0.95150833  0.85140750  0.67182565
   0.69295692  0.94022659  0.73409000
   0.79294472  0.65103438  0.98016035
   0.54387928  0.65603673  0.89929327
   0.71784104  0.80466782  0.59565999
   0.47489058  0.82475149  0.45141075
   0.92866651  0.24608268  0.06589058
   0.86460252  0.38433895  0.40066855
   0.36311073  0.11455345  0.61573609
   0.31604077  0.78560041  0.77002525
   0.17187922  1.07575773  0.19478939
   0.25737797  1.09263956  0.03654628
   0.63510386  0.34520313  0.84434790
   0.89770797  0.43721731  0.62853316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904815    0.257470   -0.138576
    -0.000000    9.875052    0.080801
    -0.000000    0.000000   14.001330
   Si   O    H 
    32    64    10
Direct configuration=  2057
   0.16232585  0.16651023 -0.02382888
   0.34987774  0.09475365  0.37583382
   0.13887144  0.41567235  0.11008050
   0.38249626  0.34277390  0.24810180
   0.07811872  0.15839752  0.48351965
   0.40129729  0.13563509  0.85176242
   0.12306856  0.40095421  0.62691698
   0.36833447  0.38752615  0.75671544
   0.13990132  0.68163921 -0.00108038
   0.41227005  0.57327677  0.37936380
   0.08472271  0.87028097  0.15000107
   0.34389573  0.82837625  0.25568318
   0.16428478  0.63807674  0.49397553
   0.38480154  0.63303320  0.86941555
   0.06478886  0.89470097  0.60056712
   0.34300267  0.98794673  0.66914662
   0.61249677  0.13535477  1.00435933
   0.84367155  0.12445851  0.34408160
   0.61433472  0.40412401  0.12058178
   0.89031420  0.29092297  0.16067818
   0.61086441  0.17387277  0.49106955
   0.88719042  0.09234566  0.87976516
   0.60958035  0.44034484  0.61999296
   0.76850918  0.34629759  0.80421362
   0.62710972  0.66902996 -0.00205500
   0.91484179  0.59537669  0.37745667
   0.58064236  0.90414493  0.13331642
   0.83759366  0.84071890  0.24915450
   0.65799985  0.65814130  0.47874123
   0.87609214  0.61529565  0.88424972
   0.62406976  0.91419754  0.62389866
   0.83793948  0.86479057  0.75281580
   0.09614850  0.04342220  0.15832326
   0.35001525  0.18501537  0.28006984
   0.13484343  0.32851643  0.00974396
   0.36788925  0.42409101  0.35104102
   0.53069378  0.37232482  0.21209572
   0.28373410  0.37820701  0.16095391
   0.20626837  0.12480792  0.42567817
  -0.02960544  0.17859380  0.39574389
   0.02968862  0.04736455  0.55641542
   0.46717093  0.25353254  0.78054465
   0.09440717  0.29196077  0.54655200
   0.35443513  0.46830481  0.85725128
   0.46259913  0.45749159  0.67322120
   0.22721340  0.35819840  0.70526997
   0.25795034  0.19072877 -0.11880640
   0.02366672  0.12043883  0.93450496
   0.13726800  0.57936127  0.09151014
   0.39788821  0.68191051  0.29030496
   0.12677617  0.83036869  0.03737638
   0.37100872  0.92878487  0.34920882
   0.42861014  0.88683427  0.16490825
   0.17893856  0.82298740  0.24158835
   0.32651649  0.63857920  0.45948407
   0.06219287  0.59184776  0.41296334
   0.18073396  0.53608305  0.57631382
   0.31794484  0.68577681  0.77266878
   0.11493337  0.78978328  0.51668575
   0.37401678  1.00328203  0.78418740
   0.46277073  0.87334506  0.63607015
   0.19895885  0.90531294  0.67500611
   0.29217006  0.69021387 -0.04864922
   0.03343481  0.65235521  0.91096772
   0.61145445  0.06219904  0.10760659
   0.81413255  0.18981706  0.23785652
   0.60340063  0.30583948  0.02517130
   0.84094099  0.45640389  0.35557371
   0.02507750  0.37674457  0.18830399
   0.77395760  0.40744083  0.14812070
   0.70902773  0.16491728  0.40170896
   0.46540523  0.13651441  0.45081850
   0.63730696  0.05579904  0.56689756
   0.86375034  0.20918874  0.80448741
   0.61641896  0.32977248  0.53786845
   0.86993365  0.45454816  0.85757082
   0.97834728  0.44306322  0.67159482
   0.72829362  0.39593149  0.69553903
   0.76110437  0.08840166  0.95761698
   0.48307733  0.08154655  0.94388504
   0.57152365  0.55602256  0.07954717
   0.90759720  0.69592693  0.27981072
   0.60223000  0.81693273  0.03769883
   0.85925493  0.94765743  0.33671897
   0.92109504  0.87275014  0.15468823
   0.67433601  0.86269670  0.23383985
   0.82029988  0.66437891  0.45874729
   0.57549764  0.55964320  0.41141385
   0.63926799  0.58964149  0.58237213
   0.80367002  0.71135908  0.79834337
   0.58619092  0.81072319  0.45852577
   0.90606259  0.94798464  0.83639193
   0.95098072  0.85181512  0.67073057
   0.69268878  0.94015778  0.73437032
   0.79274428  0.65223153  0.98153538
   0.54396773  0.65542848  0.89905140
   0.71420696  0.80721368  0.59911834
   0.48555373  0.82774665  0.45781820
   0.92067336  0.25330112  0.06950872
   0.86769520  0.37703448  0.40083286
   0.36285397  0.11452225  0.61904953
   0.31317646  0.78196867  0.76858181
   0.17361081  1.07752243  0.19358977
   0.25952639  1.09339478  0.03732423
   0.63474460  0.34516625  0.84434335
   0.89761354  0.43192797  0.62403770
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905192    0.258295   -0.138300
    -0.000000    9.879396    0.080165
    -0.000000    0.000000   14.004011
   Si   O    H 
    32    64    10
Direct configuration=  2058
   0.16320202  0.16676239 -0.02353778
   0.35005695  0.09522787  0.37597589
   0.13953964  0.41539482  0.10966313
   0.38272537  0.34267349  0.24912726
   0.07771384  0.15810843  0.48364039
   0.40135153  0.13619973  0.85172227
   0.12367861  0.40017971  0.62716229
   0.36781411  0.38852579  0.75669237
   0.14084951  0.68251944 -0.00161675
   0.41172228  0.57312582  0.37875496
   0.08387954  0.87170500  0.15068464
   0.34288902  0.82963608  0.25607932
   0.16491411  0.63779153  0.49335781
   0.38458838  0.63236472  0.86966219
   0.06447649  0.89349943  0.60052786
   0.34139976  0.98768622  0.66881930
   0.61211380  0.13443399  1.00421688
   0.84327197  0.12390431  0.34341529
   0.61347837  0.40402135  0.11988768
   0.89110836  0.29034586  0.16194714
   0.61169030  0.17534405  0.49132680
   0.88678068  0.09183183  0.87968861
   0.60854611  0.43936972  0.62025465
   0.76885293  0.34696237  0.80313545
   0.62756304  0.66956939 -0.00273220
   0.91301221  0.59489124  0.37838203
   0.58059659  0.90573430  0.13261952
   0.83788306  0.84090802  0.24899037
   0.65874758  0.65721988  0.47987481
   0.87530430  0.61481084  0.88472237
   0.62581554  0.91423699  0.62430387
   0.83878399  0.86465275  0.75353596
   0.09667318  0.04423577  0.15793253
   0.35056310  0.18534710  0.27936421
   0.13404711  0.32822686  0.01043942
   0.36816091  0.42532764  0.35118362
   0.53037959  0.37176953  0.21324781
   0.28371768  0.37654471  0.15988704
   0.20753137  0.12303757  0.42586986
  -0.03098962  0.17907311  0.39602792
   0.02986605  0.04663297  0.55692062
   0.46761450  0.25424073  0.77976769
   0.09545804  0.29229274  0.54612356
   0.35478702  0.46891196  0.85739993
   0.46425382  0.45797224  0.67352140
   0.22819479  0.35830190  0.70530604
   0.25892664  0.18990031 -0.11811454
   0.02514323  0.12252889  0.93468746
   0.13509313  0.57839961  0.09033513
   0.39923249  0.67981805  0.29010810
   0.12681913  0.82951118  0.03800125
   0.37082931  0.92909602  0.34878409
   0.42887955  0.88645394  0.16397768
   0.18087812  0.82250833  0.24194204
   0.32781673  0.63655239  0.46150112
   0.06115310  0.59197557  0.41385579
   0.18155843  0.53445270  0.57599073
   0.31660352  0.68661045  0.77279509
   0.11476437  0.78839768  0.51615485
   0.37344253  1.00263353  0.78471038
   0.46281606  0.87410399  0.63627867
   0.19788013  0.90570776  0.67417388
   0.29247482  0.68934136 -0.04926243
   0.03422142  0.65338579  0.91010615
   0.61284787  0.06211538  0.10944250
   0.81444247  0.18864542  0.23949456
   0.60353788  0.30498942  0.02419536
   0.84199280  0.45650568  0.35661018
   0.02544718  0.37721911  0.18728382
   0.77333918  0.40743396  0.14762385
   0.71055716  0.16518623  0.40043321
   0.46506604  0.13463537  0.45034739
   0.63831618  0.05523599  0.56677719
   0.86249545  0.21110809  0.80461663
   0.61439770  0.32957606  0.53751423
   0.86808103  0.45510958  0.85754168
   0.97793078  0.44525238  0.67267341
   0.72956767  0.39535323  0.69684281
   0.76173045  0.08953212  0.95758015
   0.48383669  0.08033641  0.94363372
   0.57228200  0.55503255  0.07884924
   0.90805384  0.69636464  0.27790772
   0.60103616  0.81717756  0.03790025
   0.85954639  0.94472882  0.33687421
   0.92209287  0.87348977  0.15387775
   0.67420154  0.86306180  0.23312540
   0.81861649  0.66313220  0.46050209
   0.57559819  0.55939709  0.41111021
   0.63812945  0.58948222  0.58267032
   0.80302371  0.71195950  0.79905092
   0.58399101  0.81086068  0.45791835
   0.90539242  0.94838766  0.83763113
   0.95084529  0.85197987  0.66947322
   0.69309484  0.94024554  0.73445088
   0.79208371  0.65334147  0.98301266
   0.54404767  0.65490136  0.89897501
   0.71334037  0.80956548  0.60373843
   0.49952866  0.82952152  0.46537986
   0.91660627  0.25132214  0.06715616
   0.87069304  0.37817065  0.39676464
   0.35917862  0.11300526  0.62068106
   0.30909897  0.78714230  0.76577930
   0.17293551  1.08055485  0.19340871
   0.25969788  1.09358973  0.03892713
   0.63450609  0.34180206  0.84525077
   0.90741570  0.42932387  0.62379245
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906075    0.259229   -0.137700
    -0.000000    9.883398    0.079569
    -0.000000    0.000000   14.007315
   Si   O    H 
    32    64    10
Direct configuration=  2059
   0.16455843  0.16722731 -0.02310038
   0.35101708  0.09570115  0.37612422
   0.14070087  0.41430091  0.10942043
   0.38269239  0.34243163  0.25073525
   0.07718880  0.15767663  0.48338136
   0.40142718  0.13666251  0.85131000
   0.12419416  0.40010315  0.62723126
   0.36713049  0.38950677  0.75676557
   0.14146904  0.68334081 -0.00240389
   0.41118522  0.57363338  0.37780360
   0.08320550  0.87323098  0.15088110
   0.34222524  0.83083562  0.25679761
   0.16553342  0.63750767  0.49278834
   0.38456361  0.63215100  0.86967817
   0.06500933  0.89218159  0.60057276
   0.33874279  0.98714745  0.66893556
   0.61237499  0.13296392  1.00415775
   0.84290931  0.12289009  0.34282969
   0.61252625  0.40386400  0.11932624
   0.89119967  0.29006923  0.16290878
   0.61239070  0.17677515  0.49173647
   0.88668579  0.09108523  0.87993257
   0.60746196  0.43869162  0.62055408
   0.76938415  0.34818376  0.80240213
   0.62812006  0.66935601 -0.00341289
   0.91130756  0.59540959  0.37900476
   0.58001200  0.90723458  0.13259275
   0.83812627  0.84067257  0.24919929
   0.65919155  0.65609584  0.48104685
   0.87493209  0.61386928  0.88501728
   0.62704039  0.91426511  0.62480469
   0.83916464  0.86408898  0.75474287
   0.09733934  0.04506322  0.15753985
   0.35136134  0.18534398  0.27933088
   0.13338383  0.32760710  0.01125726
   0.36828536  0.42557262  0.35091566
   0.53066880  0.37130823  0.21374481
   0.28364544  0.37492693  0.15851452
   0.20913757  0.12027955  0.42612072
  -0.03138798  0.18000412  0.39627557
   0.03015841  0.04627699  0.55711070
   0.46864338  0.25464794  0.77877876
   0.09564128  0.29246919  0.54568421
   0.35569629  0.46955283  0.85756453
   0.46486535  0.45839006  0.67365760
   0.22936756  0.35823241  0.70569608
   0.26037119  0.18990901 -0.11766336
   0.02743965  0.12325003  0.93480236
   0.13299146  0.57711093  0.08931676
   0.40094102  0.67737653  0.28964038
   0.12699954  0.82938140  0.03888293
   0.37024128  0.92957159  0.34831368
   0.42766098  0.88632641  0.16321549
   0.18274159  0.82151445  0.24166875
   0.32809661  0.63440838  0.46323148
   0.06075476  0.59276335  0.41524620
   0.18187143  0.53261241  0.57580261
   0.31555871  0.68734917  0.77280017
   0.11501653  0.78772487  0.51679868
   0.37325405  1.00145431  0.78524105
   0.46344236  0.87374641  0.63654802
   0.19806700  0.90594813  0.67359938
   0.29203065  0.68888081 -0.04918866
   0.03430559  0.65312149  0.90943716
   0.61416052  0.06314398  0.11059464
   0.81602534  0.18722717  0.24055109
   0.60393593  0.30439263  0.02351565
   0.84363358  0.45568967  0.35707926
   0.02560219  0.37756239  0.18721887
   0.77273328  0.40767198  0.14726757
   0.71168719  0.16603373  0.39921397
   0.46521976  0.13347438  0.44964739
   0.63969988  0.05454756  0.56669906
   0.86158083  0.21363835  0.80470110
   0.61243317  0.32856314  0.53694152
   0.86584674  0.45532726  0.85778892
   0.97754330  0.44678482  0.67314495
   0.73010797  0.39549644  0.69763402
   0.76201574  0.09113395  0.95765147
   0.48411909  0.07929679  0.94419843
   0.57394910  0.55450624  0.07864622
   0.90814096  0.69660317  0.27657409
   0.59932140  0.81750323  0.03794628
   0.85926177  0.94356973  0.33717044
   0.92236106  0.87398160  0.15278256
   0.67489383  0.86345818  0.23230523
   0.81666821  0.66327010  0.46136874
   0.57592767  0.55888528  0.41072368
   0.63684860  0.58915351  0.58330743
   0.80316684  0.71224423  0.80012960
   0.58388627  0.81052118  0.45697142
   0.90506307  0.94789579  0.83862627
   0.94980191  0.85165871  0.66847511
   0.69363188  0.93970122  0.73484274
   0.79141851  0.65402401  0.98483575
   0.54300465  0.65431029  0.89845526
   0.71712722  0.80847387  0.60642974
   0.48373047  0.83859786  0.47272338
   0.91372094  0.24224698  0.06139883
   0.87256385  0.38031886  0.39275540
   0.35721447  0.11531336  0.62202288
   0.30874685  0.78803325  0.76394330
   0.17151698  1.08422398  0.18904851
   0.25648546  1.09120655  0.04020304
   0.63641535  0.33651757  0.84733997
   0.91647237  0.42973912  0.62521564
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907148    0.260891   -0.137355
    -0.000000    9.887624    0.078920
    -0.000000    0.000000   14.010491
   Si   O    H 
    32    64    10
Direct configuration=  2060
   0.16637115  0.16764135 -0.02283606
   0.35204131  0.09613587  0.37611654
   0.14188925  0.41344016  0.10888514
   0.38262419  0.34242397  0.25207615
   0.07705755  0.15736578  0.48285546
   0.40166768  0.13715228  0.85068488
   0.12421318  0.40009590  0.62710061
   0.36666883  0.39063185  0.75653647
   0.14219793  0.68348126 -0.00317421
   0.41154008  0.57331255  0.37688467
   0.08288376  0.87490916  0.15048589
   0.34172338  0.83154350  0.25735554
   0.16613878  0.63741563  0.49188734
   0.38456330  0.63224273  0.86924998
   0.06583665  0.89216364  0.60043736
   0.33668144  0.98628024  0.66881721
   0.61302100  0.13218954  1.00383376
   0.84247588  0.12153981  0.34195761
   0.61142407  0.40442618  0.11821753
   0.89110093  0.29030900  0.16357663
   0.61319292  0.17803606  0.49171195
   0.88606398  0.09063146  0.88028020
   0.60649393  0.43800622  0.62069501
   0.76965115  0.34929075  0.80188299
   0.62877810  0.66878693 -0.00383930
   0.91007739  0.59631674  0.37922135
   0.58029418  0.90846120  0.13253741
   0.83791691  0.84099279  0.24925403
   0.65984068  0.65549176  0.48199023
   0.87501858  0.61315428  0.88537695
   0.62794007  0.91440133  0.62557883
   0.83950990  0.86289754  0.75565344
   0.09788035  0.04570976  0.15687794
   0.35157259  0.18531601  0.27887577
   0.13238534  0.32672289  0.01212662
   0.36762166  0.42598339  0.34990072
   0.53129528  0.37101235  0.21370918
   0.28385428  0.37360362  0.15725445
   0.21052501  0.11722967  0.42591596
  -0.03186896  0.18014760  0.39708899
   0.03089091  0.04477949  0.55720040
   0.46870326  0.25433898  0.77769349
   0.09590379  0.29301399  0.54535328
   0.35658364  0.47029998  0.85792580
   0.46503294  0.45798087  0.67448984
   0.23000809  0.35781349  0.70575649
   0.26086447  0.18994428 -0.11727683
   0.02886428  0.12359372  0.93516492
   0.13076470  0.57556504  0.08802480
   0.40218850  0.67635169  0.28882038
   0.12800829  0.82935295  0.04042867
   0.36890826  0.93078113  0.34788373
   0.42632760  0.88677739  0.16253564
   0.18390139  0.81990402  0.24127867
   0.32863719  0.63221555  0.46496510
   0.06109316  0.59340067  0.41616304
   0.18148613  0.53046548  0.57562150
   0.31482464  0.68771615  0.77216446
   0.11511141  0.78765065  0.51733710
   0.37281404  1.00049802  0.78593882
   0.46382492  0.87438553  0.63700235
   0.19777264  0.90654076  0.67315687
   0.29090837  0.68943939 -0.04750052
   0.03434245  0.65242921  0.90830087
   0.61594095  0.06516556  0.11125987
   0.81765913  0.18597221  0.24140629
   0.60407841  0.30338732  0.02220267
   0.84517683  0.45468751  0.35684698
   0.02564870  0.37763695  0.18753654
   0.77198298  0.40792039  0.14725356
   0.71269125  0.16610961  0.39827687
   0.46537217  0.13272743  0.44936056
   0.64139428  0.05363060  0.56687675
   0.86093522  0.21595755  0.80456465
   0.61000464  0.32768213  0.53654815
   0.86427250  0.45627469  0.85765255
   0.97816608  0.44785559  0.67341051
   0.73070285  0.39588992  0.69813111
   0.76251479  0.09240008  0.95771476
   0.48466799  0.07852094  0.94511293
   0.57519050  0.55407688  0.07802151
   0.90865897  0.69572277  0.27581257
   0.59772273  0.81735788  0.03804650
   0.85915780  0.94293891  0.33765210
   0.92284349  0.87437116  0.15169508
   0.67572349  0.86390091  0.23161574
   0.81550118  0.66358218  0.46229928
   0.57582549  0.55805622  0.41024251
   0.63629105  0.58831523  0.58459062
   0.80290317  0.71315117  0.80109169
   0.58374041  0.81036110  0.45581533
   0.90479892  0.94717279  0.83951084
   0.94884461  0.85117308  0.66827071
   0.69389744  0.93986541  0.73485957
   0.79133591  0.65375092  0.98655061
   0.54185715  0.65440836  0.89806058
   0.72266558  0.80077202  0.60599013
   0.48313785  0.84309719  0.47603963
   0.90755793  0.23371634  0.05973730
   0.87821930  0.37044444  0.39504057
   0.35105564  0.11717566  0.62237138
   0.31090899  0.78562347  0.76280051
   0.17450416  1.09326334  0.18541626
   0.25263004  1.08623761  0.04043399
   0.64248244  0.33182786  0.84926050
   0.91479381  0.42874104  0.62046692
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908267    0.262609   -0.136696
    -0.000000    9.891565    0.077869
    -0.000000    0.000000   14.013621
   Si   O    H 
    32    64    10
Direct configuration=  2061
   0.16833120  0.16849719 -0.02267160
   0.35389551  0.09634285  0.37583918
   0.14314482  0.41238912  0.10840913
   0.38234515  0.34228266  0.25287794
   0.07733650  0.15760661  0.48234496
   0.40132856  0.13723311  0.84992605
   0.12400258  0.39944806  0.62716292
   0.36651791  0.39151696  0.75631939
   0.14264816  0.68349207 -0.00380123
   0.41261631  0.57288351  0.37612883
   0.08312166  0.87691263  0.15004476
   0.34156226  0.83179552  0.25713147
   0.16723297  0.63682182  0.49118054
   0.38382454  0.63170224  0.86915763
   0.06623201  0.89262315  0.59968570
   0.33463840  0.98478763  0.66879234
   0.61381333  0.13169759  1.00330261
   0.84310509  0.12020075  0.34092505
   0.61066169  0.40435357  0.11708534
   0.89087474  0.29055766  0.16431165
   0.61423435  0.17900802  0.49147274
   0.88552448  0.09058693  0.88061908
   0.60572374  0.43726469  0.62095791
   0.76966923  0.35052188  0.80170400
   0.62860987  0.66837862 -0.00404513
   0.90914362  0.59744166  0.37921678
   0.58025193  0.90911540  0.13272758
   0.83847187  0.84143837  0.24921890
   0.65995810  0.65545495  0.48236518
   0.87538916  0.61227858  0.88612183
   0.62913149  0.91440715  0.62597851
   0.83912544  0.86130337  0.75624451
   0.09778657  0.04618117  0.15652951
   0.35204597  0.18558546  0.27862353
   0.13132445  0.32634723  0.01318540
   0.36661437  0.42555530  0.34844143
   0.53034695  0.37099533  0.21388926
   0.28489661  0.37257605  0.15687237
   0.21146859  0.11377811  0.42572774
  -0.03277126  0.18021793  0.39784874
   0.03153512  0.04290252  0.55812861
   0.46868447  0.25491823  0.77650543
   0.09626207  0.29319827  0.54546885
   0.35739278  0.47119996  0.85844697
   0.46471599  0.45730716  0.67566900
   0.23055562  0.35673040  0.70632399
   0.26042193  0.19030826 -0.11732315
   0.02918877  0.12418952  0.93560002
   0.12859247  0.57441861  0.08721534
   0.40313869  0.67648547  0.28766083
   0.12920355  0.82875990  0.04265715
   0.36699548  0.93238815  0.34692448
   0.42432539  0.88699842  0.16222744
   0.18394607  0.81791667  0.24070829
   0.32806419  0.62996567  0.46576300
   0.06082104  0.59344282  0.41609630
   0.18072037  0.52787928  0.57540153
   0.31446124  0.68854292  0.77142091
   0.11494121  0.78803748  0.51764319
   0.37261322  0.99966230  0.78628976
   0.46475128  0.87443522  0.63712366
   0.19684009  0.90727970  0.67311016
   0.28990193  0.69059122 -0.04665672
   0.03404900  0.65159868  0.90736601
   0.61782465  0.06621325  0.11146477
   0.81982326  0.18493095  0.24113320
   0.60465975  0.30204062  0.02168005
   0.84688328  0.45357492  0.35695357
   0.02471207  0.37841559  0.18810106
   0.77057078  0.40718960  0.14696666
   0.71315702  0.16714359  0.39768180
   0.46589732  0.13233496  0.44947673
   0.64344678  0.05337345  0.56663645
   0.86052893  0.21722024  0.80458351
   0.60837822  0.32636654  0.53672028
   0.86328470  0.45750374  0.85794807
   0.97862318  0.44929939  0.67420714
   0.73173072  0.39655228  0.69768277
   0.76271791  0.09374344  0.95752179
   0.48438233  0.07776908  0.94611774
   0.57571546  0.55349708  0.07762342
   0.90922353  0.69419076  0.27539064
   0.59691143  0.81727535  0.03790941
   0.85950759  0.94373554  0.33802143
   0.92380827  0.87537921  0.15097331
   0.67580441  0.86430885  0.23094617
   0.81501551  0.66454912  0.46330355
   0.57619616  0.55712800  0.40978523
   0.63622069  0.58768635  0.58627739
   0.80297438  0.71371049  0.80210315
   0.58314371  0.81103605  0.45493606
   0.90583411  0.94581662  0.84011289
   0.94798089  0.85061838  0.66799342
   0.69452049  0.94035214  0.73470340
   0.78993158  0.65339033  0.98779409
   0.54075281  0.65408133  0.89779068
   0.72551519  0.79847094  0.60406834
   0.49593502  0.84242436  0.47644715
   0.90288217  0.22488552  0.06343690
   0.87904703  0.36696421  0.39407637
   0.34737439  0.11624758  0.62351931
   0.31206451  0.78125639  0.76180019
   0.17562921  1.09582406  0.17932334
   0.24940991  1.08467770  0.04170984
   0.64707785  0.33033954  0.85142262
   0.91267282  0.42422056  0.61782786
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909350    0.263911   -0.136545
    -0.000000    9.895382    0.076732
    -0.000000    0.000000   14.016563
   Si   O    H 
    32    64    10
Direct configuration=  2062
   0.17035653  0.16957578 -0.02292436
   0.35545055  0.09611841  0.37539988
   0.14402688  0.41143241  0.10841293
   0.38175647  0.34250665  0.25321146
   0.07705837  0.15757015  0.48165349
   0.40098219  0.13668475  0.84898733
   0.12362868  0.39883404  0.62736471
   0.36623559  0.39238003  0.75598142
   0.14246117  0.68324858 -0.00466144
   0.41373430  0.57255412  0.37558655
   0.08363887  0.87907782  0.14962025
   0.34201648  0.83156624  0.25734002
   0.16805427  0.63603775  0.49045806
   0.38365526  0.63108784  0.86902913
   0.06698868  0.89287269  0.59849952
   0.33342185  0.98331191  0.66911116
   0.61463151  0.13207776  1.00290941
   0.84362692  0.11881022  0.34001660
   0.61000877  0.40371258  0.11576213
   0.89010641  0.29046486  0.16477160
   0.61570975  0.17933914  0.49150703
   0.88544543  0.09133624  0.88084350
   0.60557481  0.43649068  0.62175804
   0.76902611  0.35134790  0.80180280
   0.62889419  0.66835136 -0.00339143
   0.90844821  0.59892371  0.37909225
   0.58065752  0.90939125  0.13295232
   0.83891996  0.84179138  0.24899498
   0.65982591  0.65492447  0.48250776
   0.87556026  0.61173753  0.88675134
   0.62980095  0.91352398  0.62635964
   0.83813845  0.86018345  0.75650318
   0.09769573  0.04619879  0.15662858
   0.35287622  0.18623983  0.27846610
   0.13033994  0.32591156  0.01400795
   0.36558436  0.42532951  0.34714758
   0.52887601  0.37103949  0.21419215
   0.28655663  0.37172010  0.15685418
   0.21184648  0.11114710  0.42536333
  -0.03341960  0.18118162  0.39764060
   0.03211805  0.04155489  0.55885104
   0.46931191  0.25439600  0.77609153
   0.09670861  0.29277578  0.54553885
   0.35899190  0.47276273  0.85882150
   0.46396771  0.45789617  0.67651532
   0.23040902  0.35600413  0.70669550
   0.25885671  0.19068703 -0.11733965
   0.02946879  0.12394651  0.93660713
   0.12601557  0.57298657  0.08629678
   0.40371712  0.67715307  0.28691062
   0.12988178  0.82905254  0.04455070
   0.36476737  0.93373760  0.34599175
   0.42270645  0.88765814  0.16149249
   0.18297458  0.81737256  0.23932748
   0.32830251  0.62806891  0.46643897
   0.06087286  0.59380806  0.41600431
   0.18014723  0.52499762  0.57521805
   0.31396486  0.68851497  0.77036340
   0.11424867  0.78870860  0.51751112
   0.37249183  0.99900605  0.78646251
   0.46647725  0.87511163  0.63768533
   0.19695554  0.90825167  0.67301716
   0.28874970  0.69174759 -0.04593914
   0.03394241  0.65033763  0.90698128
   0.61916717  0.06700514  0.11146920
   0.82149528  0.18546442  0.23972129
   0.60523145  0.30053897  0.02178970
   0.84860615  0.45204992  0.35795815
   0.02390243  0.37829122  0.18881104
   0.76902888  0.40640102  0.14721171
   0.71277717  0.16826250  0.39722301
   0.46713942  0.13230349  0.44972516
   0.64485496  0.05341274  0.56610678
   0.86032965  0.21841744  0.80432543
   0.60628062  0.32469761  0.53659005
   0.86193629  0.45812442  0.85773753
   0.97859079  0.45061097  0.67440136
   0.73161709  0.39699331  0.69657905
   0.76188576  0.09458652  0.95759851
   0.48461408  0.07742960  0.94688555
   0.57674297  0.55411756  0.07683009
   0.90947843  0.69315997  0.27529407
   0.59662628  0.81788846  0.03785891
   0.85925473  0.94550698  0.33851402
   0.92405298  0.87637281  0.14987600
   0.67522222  0.86423453  0.23027678
   0.81435879  0.66590454  0.46396231
   0.57646284  0.55598294  0.40965620
   0.63627257  0.58746565  0.58821000
   0.80296696  0.71387929  0.80253626
   0.58326293  0.81116065  0.45394505
   0.90764460  0.94475053  0.84084112
   0.94642151  0.85013293  0.66715300
   0.69494520  0.94100115  0.73468830
   0.78979139  0.65353879  0.98832270
   0.53971054  0.65338806  0.89695233
   0.72589930  0.79765209  0.60044018
   0.50317336  0.83924746  0.47869927
   0.89883272  0.21739381  0.07124113
   0.87708611  0.36985553  0.39191575
   0.34117741  0.11590255  0.62250381
   0.31404706  0.78596007  0.76135698
   0.17384307  1.09550814  0.17646323
   0.25157854  1.08328469  0.04079848
   0.64983649  0.33081579  0.85321228
   0.91752361  0.42537700  0.62434898
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910540    0.265875   -0.136418
    -0.000000    9.898879    0.076172
    -0.000000    0.000000   14.018969
   Si   O    H 
    32    64    10
Direct configuration=  2063
   0.17219546  0.17051681 -0.02297734
   0.35685941  0.09548092  0.37479091
   0.14435118  0.41025479  0.10863176
   0.38089130  0.34260452  0.25322348
   0.07718589  0.15763006  0.48120306
   0.40125964  0.13589913  0.84830357
   0.12278465  0.39870013  0.62773921
   0.36622959  0.39354318  0.75574586
   0.14228162  0.68302655 -0.00551811
   0.41563109  0.57243818  0.37491811
   0.08487101  0.88181189  0.14924227
   0.34287456  0.83142656  0.25783980
   0.16934731  0.63487469  0.48999069
   0.38326581  0.63015395  0.86912435
   0.06812905  0.89311350  0.59789135
   0.33321565  0.98179933  0.66996530
   0.61590204  0.13323944  1.00296857
   0.84460848  0.11708996  0.33898260
   0.60963948  0.40279950  0.11481288
   0.88980120  0.29034691  0.16549731
   0.61709038  0.17937243  0.49153412
   0.88503609  0.09263368  0.88171374
   0.60566762  0.43573431  0.62278451
   0.76828735  0.35181257  0.80179226
   0.62936320  0.66879466 -0.00282063
   0.90784450  0.60024928  0.37876808
   0.58080382  0.91008405  0.13318372
   0.83888856  0.84228258  0.24884229
   0.65880281  0.65505835  0.48294335
   0.87556353  0.61153241  0.88688844
   0.63035208  0.91260992  0.62701129
   0.83740791  0.85949888  0.75689239
   0.09734505  0.04582162  0.15626418
   0.35236447  0.18686221  0.27858828
   0.12970863  0.32564496  0.01453955
   0.36529374  0.42563291  0.34584780
   0.52789916  0.37018068  0.21445637
   0.28868725  0.37131021  0.15742397
   0.21126820  0.10874368  0.42551621
  -0.03410046  0.18267341  0.39753255
   0.03309192  0.04084712  0.55942358
   0.46962290  0.25300350  0.77522622
   0.09798467  0.29178598  0.54561058
   0.36023153  0.47409039  0.85856811
   0.46325189  0.45796927  0.67715472
   0.22963244  0.35511303  0.70648606
   0.25733338  0.19114684 -0.11713433
   0.02906193  0.12342377  0.93749575
   0.12229618  0.57202707  0.08497063
   0.40428181  0.67751720  0.28545039
   0.13018784  0.82946264  0.04646432
   0.36331154  0.93580149  0.34489614
   0.42137311  0.88803972  0.16123708
   0.18133069  0.81733892  0.23762232
   0.32851500  0.62612688  0.46698235
   0.06027838  0.59404637  0.41615863
   0.17974884  0.52272975  0.57474832
   0.31317391  0.68893803  0.76937507
   0.11372097  0.78910740  0.51775443
   0.37254768  0.99919573  0.78632294
   0.46790587  0.87684855  0.63825829
   0.19619549  0.90859208  0.67333011
   0.28879813  0.69289372 -0.04570705
   0.03425057  0.64960013  0.90665441
   0.61954895  0.06748893  0.11191799
   0.82265336  0.18591768  0.23908122
   0.60585835  0.29828417  0.02161840
   0.84962969  0.45050584  0.35847160
   0.02394621  0.37730309  0.18913655
   0.76801400  0.40638763  0.14766808
   0.71306191  0.16893024  0.39744785
   0.46894976  0.13259749  0.44989172
   0.64572894  0.05443640  0.56576294
   0.86096363  0.21919457  0.80461347
   0.60440955  0.32426359  0.53653812
   0.86021715  0.45905901  0.85727861
   0.97915941  0.45162675  0.67470529
   0.73059452  0.39746882  0.69504142
   0.76154216  0.09612844  0.95738987
   0.48517311  0.07768783  0.94772854
   0.57797859  0.55462070  0.07563320
   0.90875076  0.69194554  0.27579702
   0.59673874  0.81852592  0.03756941
   0.85997127  0.94698221  0.33889766
   0.92378875  0.87719260  0.14869124
   0.67530103  0.86375007  0.22845997
   0.81435945  0.66719178  0.46406024
   0.57653178  0.55564776  0.40968504
   0.63680622  0.58756903  0.58999453
   0.80284003  0.71416578  0.80304312
   0.58450880  0.81064558  0.45293626
   0.91001577  0.94318537  0.84084793
   0.94462061  0.84909951  0.66698194
   0.69436026  0.94071682  0.73448374
   0.78964166  0.65328015  0.98853714
   0.53907163  0.65305882  0.89669090
   0.72020040  0.80175085  0.59758513
   0.49567296  0.84298047  0.48347591
   0.89561828  0.21148658  0.07992964
   0.87856712  0.37203207  0.38727183
   0.33402317  0.11267164  0.62193249
   0.31708498  0.78789534  0.76263452
   0.17542756  1.09525557  0.17700552
   0.25227317  1.08262051  0.03804292
   0.64508966  0.32924311  0.85630107
   0.91443674  0.42481872  0.62861338
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911625    0.267862   -0.135775
    -0.000000    9.902554    0.074802
    -0.000000    0.000000   14.020831
   Si   O    H 
    32    64    10
Direct configuration=  2064
   0.17301577  0.17232074 -0.02341747
   0.35802768  0.09491528  0.37396441
   0.14508519  0.40936412  0.10921769
   0.38027052  0.34255395  0.25270646
   0.07745366  0.15718955  0.48092880
   0.40178743  0.13585664  0.84770821
   0.12197513  0.39907844  0.62815654
   0.36657668  0.39456700  0.75569921
   0.14255660  0.68286178 -0.00622319
   0.41767647  0.57231703  0.37443263
   0.08560213  0.88409848  0.14877214
   0.34348244  0.83138712  0.25840974
   0.17074678  0.63406085  0.48972417
   0.38303629  0.62999114  0.86944203
   0.06906577  0.89365123  0.59787212
   0.33353374  0.98008355  0.67031283
   0.61729643  0.13460590  1.00312655
   0.84485710  0.11534511  0.33836868
   0.60973565  0.40179650  0.11433780
   0.88976585  0.29104064  0.16631825
   0.61800383  0.17891579  0.49111157
   0.88524062  0.09438728  0.88269704
   0.60542849  0.43520957  0.62395284
   0.76810676  0.35163022  0.80142570
   0.62971259  0.66937946 -0.00243130
   0.90766444  0.60144395  0.37864943
   0.58082136  0.91051394  0.13364377
   0.83939938  0.84230855  0.24858605
   0.65759828  0.65504085  0.48348988
   0.87547258  0.61204196  0.88669366
   0.63114634  0.91243326  0.62766910
   0.83657333  0.85919167  0.75667805
   0.09678022  0.04529058  0.15600113
   0.35238994  0.18701027  0.27859845
   0.12913928  0.32479775  0.01489324
   0.36494665  0.42613663  0.34504556
   0.52694348  0.36904129  0.21446690
   0.29085066  0.37137314  0.15717318
   0.21138802  0.10600813  0.42606854
  -0.03533233  0.18373667  0.39761315
   0.03392176  0.04105451  0.55972069
   0.46872883  0.25139003  0.77487539
   0.09796373  0.29088995  0.54536705
   0.36074722  0.47416550  0.85806859
   0.46318281  0.45788247  0.67766693
   0.22908730  0.35351623  0.70618059
   0.25561546  0.19235285 -0.11752285
   0.02851191  0.12286436  0.93810272
   0.11893223  0.57169167  0.08364390
   0.40462550  0.67804599  0.28373511
   0.12993497  0.82989940  0.04755118
   0.36213490  0.93810058  0.34371591
   0.41972944  0.88863044  0.16131908
   0.17920216  0.81747487  0.23614848
   0.32887342  0.62458907  0.46679334
   0.05965334  0.59425988  0.41605179
   0.17969910  0.52097262  0.57459418
   0.31361476  0.68962815  0.76838560
   0.11377116  0.78852771  0.51747593
   0.37223438  1.00020642  0.78613464
   0.46898179  0.87931590  0.63859286
   0.19597574  0.90930672  0.67333440
   0.28872403  0.69333990 -0.04569736
   0.03423299  0.64871461  0.90681519
   0.62004866  0.06773057  0.11276262
   0.82323424  0.18533526  0.23872443
   0.60607279  0.29627022  0.02116021
   0.85044205  0.44999740  0.35902694
   0.02527735  0.37598273  0.18974096
   0.76761804  0.40576635  0.14828054
   0.71296877  0.16961407  0.39757992
   0.47030829  0.13299643  0.44970377
   0.64674752  0.05546293  0.56522645
   0.86197497  0.21920444  0.80495045
   0.60250553  0.32488613  0.53691345
   0.85881725  0.45981452  0.85722245
   0.98015054  0.45289777  0.67494956
   0.72904172  0.39753283  0.69297518
   0.76145925  0.09715474  0.95683128
   0.48581071  0.07765952  0.94758808
   0.57979451  0.55535737  0.07493100
   0.90848347  0.69115938  0.27648746
   0.59706255  0.81983325  0.03750713
   0.86025354  0.94857137  0.33926914
   0.92298044  0.87707369  0.14809604
   0.67497370  0.86247138  0.22646208
   0.81562634  0.66790066  0.46381573
   0.57656292  0.55474294  0.40942987
   0.63647647  0.58828420  0.59140110
   0.80268125  0.71348174  0.80359016
   0.58500383  0.80928298  0.45255078
   0.91226840  0.94157022  0.84060144
   0.94256702  0.84814485  0.66649561
   0.69430459  0.94042487  0.73389518
   0.78957155  0.65338754  0.98811277
   0.53922498  0.65301242  0.89602432
   0.71400658  0.80954226  0.59760827
   0.49653827  0.84468673  0.48614342
   0.89470094  0.20563015  0.08549552
   0.88541417  0.36398607  0.38745835
   0.32607030  0.11141255  0.62137555
   0.31705288  0.78684683  0.76424493
   0.17455723  1.09127245  0.18108234
   0.25410416  1.08469469  0.03722993
   0.64250782  0.32789904  0.85999880
   0.90466572  0.42526176  0.63336170
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912794    0.269705   -0.134952
    -0.000000    9.905538    0.072881
    -0.000000    0.000000   14.022280
   Si   O    H 
    32    64    10
Direct configuration=  2065
   0.17326512  0.17356823 -0.02364695
   0.35882971  0.09494129  0.37341673
   0.14556229  0.40933957  0.10975413
   0.37981766  0.34263719  0.25195687
   0.07789978  0.15639319  0.48076294
   0.40221207  0.13491010  0.84697954
   0.12112835  0.39990531  0.62857088
   0.36735241  0.39446022  0.75551722
   0.14201318  0.68320457 -0.00699966
   0.41905677  0.57252173  0.37438606
   0.08651566  0.88551963  0.14840521
   0.34369927  0.83090495  0.25844210
   0.17209587  0.63375085  0.48957964
   0.38243195  0.63016913  0.86922196
   0.07046694  0.89413488  0.59859972
   0.33451993  0.97857079  0.67053364
   0.61872166  0.13540094  1.00371683
   0.84421370  0.11396940  0.33785960
   0.61054188  0.40019435  0.11418177
   0.89006741  0.29212259  0.16703932
   0.61915311  0.17799016  0.49013199
   0.88539139  0.09614698  0.88344415
   0.60520555  0.43421096  0.62486914
   0.76819358  0.35251537  0.80141974
   0.62957905  0.66951477 -0.00229355
   0.90752136  0.60309692  0.37806343
   0.58125278  0.91101756  0.13437921
   0.83933365  0.84226855  0.24792366
   0.65626439  0.65431438  0.48403773
   0.87552370  0.61291098  0.88671965
   0.63192569  0.91257997  0.62836412
   0.83663055  0.85913181  0.75636562
   0.09606114  0.04663688  0.15560487
   0.35268984  0.18728173  0.27830292
   0.12910831  0.32386233  0.01503145
   0.36431514  0.42687341  0.34470516
   0.52671191  0.36756578  0.21460634
   0.29282340  0.37156073  0.15683535
   0.21219064  0.10470180  0.42645785
  -0.03623920  0.18564423  0.39835355
   0.03446769  0.04076696  0.55975385
   0.46771291  0.24954836  0.77456675
   0.09839021  0.29012288  0.54489410
   0.36097895  0.47370548  0.85731995
   0.46331852  0.45832798  0.67770167
   0.22841093  0.35181199  0.70618436
   0.25482366  0.19386010 -0.11825760
   0.02746372  0.12278175  0.93881152
   0.11628504  0.57182492  0.08208672
   0.40475019  0.67729411  0.28245026
   0.12976105  0.83054202  0.04847238
   0.36057288  0.94062879  0.34302008
   0.41736025  0.88887980  0.16189577
   0.17709282  0.81712437  0.23428630
   0.32926460  0.62290031  0.46573983
   0.05988708  0.59398378  0.41568874
   0.18025235  0.51985966  0.57440688
   0.31483704  0.68981861  0.76723167
   0.11457256  0.78764626  0.51703520
   0.37193383  1.00160294  0.78598724
   0.47005118  0.88128803  0.63849662
   0.19533810  0.91054153  0.67337294
   0.29008517  0.69373729 -0.04625249
   0.03427985  0.64806198  0.90706913
   0.62043032  0.06771681  0.11315740
   0.82342884  0.18464939  0.23818007
   0.60586980  0.29528666  0.02103765
   0.85156179  0.44954695  0.35934802
   0.02632622  0.37538938  0.19004488
   0.76692464  0.40482432  0.14849732
   0.71336248  0.17018934  0.39792416
   0.47091819  0.13370371  0.44944097
   0.64754031  0.05691119  0.56511164
   0.86345419  0.21751345  0.80516857
   0.60127995  0.32582532  0.53677788
   0.85685525  0.46057225  0.85799997
   0.98146114  0.45382178  0.67515252
   0.72748367  0.39709145  0.69165430
   0.76113629  0.09874559  0.95634586
   0.48618873  0.07752354  0.94743841
   0.58082898  0.55640983  0.07394829
   0.90788846  0.69029222  0.27753734
   0.59668249  0.82071991  0.03822005
   0.86026020  0.94998631  0.33994810
   0.92111377  0.87682409  0.14802535
   0.67506250  0.86098987  0.22429523
   0.81721626  0.66880980  0.46304850
   0.57606229  0.55511168  0.40898878
   0.63632611  0.58874334  0.59258892
   0.80158221  0.71354930  0.80401284
   0.58466290  0.80863567  0.45266397
   0.91424136  0.94052891  0.84044234
   0.94079017  0.84738936  0.66625343
   0.69309116  0.94056283  0.73353621
   0.79062515  0.65245772  0.98708179
   0.53977399  0.65383870  0.89617368
   0.71109498  0.81241619  0.59586398
   0.50468638  0.83940994  0.48643067
   0.89974557  0.20010490  0.08697479
   0.89125216  0.35994373  0.38708742
   0.32214965  0.10585731  0.61825205
   0.31698017  0.78984859  0.76602618
   0.17385808  1.08936428  0.18361861
   0.25727498  1.08799941  0.03685090
   0.64370617  0.33132937  0.86100745
   0.89796014  0.42186519  0.63943384
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914051    0.271185   -0.134148
    -0.000000    9.908135    0.071253
    -0.000000    0.000000   14.023707
   Si   O    H 
    32    64    10
Direct configuration=  2066
   0.17298750  0.17463982 -0.02341621
   0.35888837  0.09497526  0.37277917
   0.14497658  0.41020191  0.11043704
   0.38020825  0.34257195  0.25153673
   0.07852634  0.15530770  0.48047189
   0.40225813  0.13444959  0.84630257
   0.12004244  0.40048555  0.62868858
   0.36797400  0.39328833  0.75506401
   0.14095119  0.68332290 -0.00755709
   0.42060163  0.57274749  0.37459690
   0.08727116  0.88646762  0.14810356
   0.34461800  0.83092364  0.25838398
   0.17294196  0.63353983  0.48938296
   0.38148511  0.63012986  0.86915663
   0.07116987  0.89410220  0.59905932
   0.33530014  0.97788426  0.67096038
   0.62023131  0.13656773  1.00451871
   0.84382748  0.11240611  0.33751166
   0.61027049  0.39868302  0.11407526
   0.89035488  0.29338684  0.16776110
   0.61997200  0.17687434  0.48876327
   0.88583660  0.09686047  0.88415543
   0.60477797  0.43325060  0.62615076
   0.76813627  0.35355656  0.80147559
   0.62966269  0.67053943 -0.00192606
   0.90833753  0.60481580  0.37727859
   0.58102128  0.91127938  0.13553787
   0.83941638  0.84200643  0.24715664
   0.65498305  0.65372726  0.48448453
   0.87520088  0.61422161  0.88676478
   0.63254250  0.91283642  0.62923307
   0.83681150  0.85843890  0.75642905
   0.09510174  0.04848298  0.15542749
   0.35291888  0.18820150  0.27780532
   0.12897000  0.32260879  0.01536913
   0.36333575  0.42765891  0.34522527
   0.52657188  0.36580901  0.21442826
   0.29437014  0.37284712  0.15674292
   0.21297283  0.10342018  0.42660238
  -0.03685833  0.18662540  0.39943865
   0.03516607  0.04066181  0.55984704
   0.46609235  0.24738398  0.77434688
   0.09866054  0.28870191  0.54462843
   0.36126295  0.47235823  0.85649925
   0.46389562  0.45945299  0.67807222
   0.22758437  0.35050725  0.70589767
   0.25458771  0.19526326 -0.11964691
   0.02739817  0.12188457  0.93925081
   0.11431755  0.57165770  0.08080149
   0.40484582  0.67556549  0.28177164
   0.12865186  0.83106507  0.04897034
   0.35984741  0.94203240  0.34242353
   0.41600234  0.88872522  0.16302840
   0.17490680  0.81680325  0.23214665
   0.32972347  0.62243035  0.46450823
   0.06009549  0.59355102  0.41558682
   0.18067294  0.51922128  0.57422921
   0.31636658  0.68967705  0.76589483
   0.11547010  0.78647408  0.51714082
   0.37166320  1.00221782  0.78536293
   0.47078268  0.88249920  0.63851849
   0.19438836  0.91134038  0.67345408
   0.29221847  0.69299074 -0.04662090
   0.03536841  0.64809078  0.90687490
   0.61948619  0.06762157  0.11362546
   0.82477726  0.18360337  0.23757582
   0.60617553  0.29446648  0.02107956
   0.85304780  0.44891122  0.35974755
   0.02686123  0.37450737  0.19030759
   0.76599051  0.40399622  0.14880064
   0.71387122  0.17022732  0.39872852
   0.47121337  0.13372098  0.44945353
   0.64839959  0.05795474  0.56524582
   0.86458624  0.21555504  0.80581768
   0.60056724  0.32606280  0.53731656
   0.85506066  0.46111647  0.85778451
   0.98088378  0.45543728  0.67569010
   0.72681456  0.39662362  0.69044114
   0.76054185  0.09963209  0.95611106
   0.48712012  0.07681512  0.94655162
   0.58104790  0.55725867  0.07306725
   0.90818809  0.69020748  0.27881045
   0.59684808  0.82142146  0.03909320
   0.86064493  0.95069054  0.33995706
   0.92017551  0.87660120  0.14822942
   0.67575128  0.85879225  0.22293400
   0.81815722  0.66977227  0.46266473
   0.57498780  0.55502839  0.40878742
   0.63623305  0.58894895  0.59288321
   0.80064488  0.71246729  0.80405771
   0.58448501  0.80786041  0.45283118
   0.91552757  0.94026422  0.83996354
   0.93836120  0.84722534  0.66594363
   0.69193896  0.94070325  0.73345297
   0.79206701  0.65058714  0.98614757
   0.54085473  0.65415824  0.89610269
   0.71517023  0.81004815  0.59334280
   0.50819132  0.83358762  0.48824115
   0.90693430  0.19756255  0.08603018
   0.89746640  0.36569485  0.38398037
   0.31904563  0.10066783  0.61684354
   0.31497621  0.78949035  0.76842436
   0.17108096  1.08704140  0.18444108
   0.25833196  1.08832106  0.03623833
   0.64827564  0.33538152  0.85706805
   0.89476257  0.42442272  0.64922782
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915355    0.273274   -0.133637
    -0.000000    9.910682    0.070072
    -0.000000    0.000000   14.025051
   Si   O    H 
    32    64    10
Direct configuration=  2067
   0.17233435  0.17570045 -0.02288934
   0.35904211  0.09511395  0.37227009
   0.14440922  0.41095506  0.11135747
   0.38052241  0.34271461  0.25112728
   0.07938878  0.15376012  0.48028598
   0.40195992  0.13397675  0.84591012
   0.11857815  0.40115832  0.62850404
   0.36880911  0.39160707  0.75469489
   0.13987039  0.68249283 -0.00780440
   0.42250583  0.57230556  0.37482325
   0.08760500  0.88768617  0.14762222
   0.34531128  0.83038204  0.25846131
   0.17401983  0.63267822  0.48928889
   0.38055275  0.63001531  0.86880384
   0.07179829  0.89412597  0.59962831
   0.33660832  0.97715243  0.67165573
   0.62172713  0.13723325  1.00517387
   0.84355702  0.11162729  0.33741238
   0.61060264  0.39802679  0.11401379
   0.88991663  0.29536706  0.16798730
   0.62058554  0.17558051  0.48774858
   0.88704414  0.09780266  0.88433739
   0.60449721  0.43247793  0.62716383
   0.76810957  0.35377218  0.80133933
   0.62953341  0.67120928 -0.00150450
   0.90835787  0.60644679  0.37638233
   0.58053111  0.91185578  0.13660517
   0.84006669  0.84187513  0.24635912
   0.65442471  0.65360154  0.48501658
   0.87465936  0.61529631  0.88649840
   0.63330876  0.91384236  0.62999743
   0.83677424  0.85853805  0.75637999
   0.09343763  0.05007220  0.15561210
   0.35360531  0.18929429  0.27757242
   0.12974924  0.32130602  0.01597135
   0.36302580  0.42783502  0.34607492
   0.52701439  0.36394772  0.21412750
   0.29526553  0.37418532  0.15711994
   0.21307243  0.10305182  0.42680241
  -0.03724051  0.18719608  0.39985385
   0.03565541  0.04030421  0.55944457
   0.46417857  0.24551154  0.77419312
   0.09822227  0.28788162  0.54445121
   0.36115644  0.47047618  0.85538347
   0.46419801  0.46031725  0.67896619
   0.22693437  0.34824680  0.70531734
   0.25487655  0.19632590 -0.12116005
   0.02819955  0.12151561  0.94070842
   0.11293635  0.57125209  0.07961545
   0.40471419  0.67387694  0.28041196
   0.12788370  0.83076743  0.04868613
   0.35970505  0.94240015  0.34234032
   0.41555184  0.88859707  0.16381260
   0.17441392  0.81653463  0.23065850
   0.33069145  0.62173880  0.46348286
   0.05976745  0.59358842  0.41562679
   0.18088750  0.51915231  0.57408221
   0.31819843  0.68942699  0.76515113
   0.11633605  0.78536154  0.51745538
   0.37192816  1.00151047  0.78485145
   0.47166461  0.88287028  0.63826963
   0.19322206  0.91228122  0.67407813
   0.29381498  0.69243142 -0.04698987
   0.03606904  0.64803660  0.90619425
   0.61894702  0.06762885  0.11359837
   0.82657044  0.18310781  0.23774546
   0.60600283  0.29434916  0.02149368
   0.85452479  0.44877319  0.35982914
   0.02669870  0.37424722  0.19103223
   0.76497499  0.40242598  0.14950363
   0.71509978  0.16952969  0.39939419
   0.47207183  0.13452219  0.44964926
   0.64940722  0.05882707  0.56558133
   0.86609999  0.21396255  0.80645321
   0.59969582  0.32663127  0.53711471
   0.85336765  0.46183780  0.85709161
   0.98043444  0.45647665  0.67593085
   0.72718601  0.39590980  0.68990987
   0.76014865  0.10044848  0.95582868
   0.48862084  0.07642572  0.94536985
   0.58089541  0.55792171  0.07232520
   0.90844007  0.69095001  0.27970969
   0.59670599  0.82249770  0.03993694
   0.86043901  0.95070432  0.33954712
   0.91951744  0.87667791  0.14915609
   0.67628178  0.85647715  0.22150583
   0.81954030  0.67042161  0.46254133
   0.57451423  0.55525968  0.40814896
   0.63641036  0.58887927  0.59392689
   0.79958709  0.71165281  0.80473431
   0.58547606  0.80696755  0.45262131
   0.91660580  0.94074448  0.83917300
   0.93590031  0.84741249  0.66510910
   0.69094291  0.94103269  0.73304987
   0.79285621  0.64890818  0.98457368
   0.54171388  0.65446906  0.89633876
   0.72248007  0.80534049  0.58999482
   0.50468312  0.82658388  0.49027534
   0.91302055  0.20340649  0.08643356
   0.90362285  0.37557536  0.38243841
   0.31663036  0.09651036  0.61199889
   0.31258971  0.78622006  0.77218075
   0.17273130  1.08528645  0.18671236
   0.25795116  1.08944759  0.03651235
   0.65131177  0.33833622  0.85231696
   0.89617999  0.42620723  0.65897763
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916190    0.275189   -0.133238
    -0.000000    9.913065    0.068773
    -0.000000    0.000000   14.025813
   Si   O    H 
    32    64    10
Direct configuration=  2068
   0.17181473  0.17686044 -0.02289787
   0.35938408  0.09465910  0.37148875
   0.14403269  0.41207418  0.11203948
   0.38164814  0.34257174  0.25071410
   0.08063445  0.15208233  0.48046471
   0.40136614  0.13284821  0.84532529
   0.11687374  0.40159130  0.62834868
   0.36978783  0.39000105  0.75423943
   0.13899145  0.68142443 -0.00778280
   0.42460668  0.57202211  0.37453341
   0.08814356  0.88866068  0.14682627
   0.34645182  0.82996462  0.25815505
   0.17536437  0.63231564  0.48967338
   0.37988348  0.62926104  0.86807063
   0.07227409  0.89411555  0.60003426
   0.33790961  0.97707036  0.67213591
   0.62227521  0.13784089  1.00567497
   0.84335590  0.11123038  0.33749686
   0.61063687  0.39768567  0.11410541
   0.88962071  0.29703997  0.16767393
   0.62112967  0.17476076  0.48695808
   0.88837131  0.09837092  0.88441329
   0.60419532  0.43201619  0.62776919
   0.76876293  0.35371709  0.80120750
   0.62941767  0.67261616 -0.00075220
   0.90862383  0.60723138  0.37545377
   0.57966271  0.91243004  0.13727032
   0.83993179  0.84134273  0.24553829
   0.65406597  0.65431734  0.48542098
   0.87408469  0.61613789  0.88659754
   0.63389335  0.91497951  0.63048820
   0.83620806  0.85839672  0.75656192
   0.09152575  0.05134020  0.15648409
   0.35460325  0.18999390  0.27802938
   0.13060216  0.32092991  0.01687710
   0.36319397  0.42829068  0.34656283
   0.52718052  0.36210646  0.21336210
   0.29581452  0.37523049  0.15706576
   0.21310026  0.10312689  0.42701420
  -0.03719516  0.18776399  0.39997781
   0.03585085  0.03925159  0.55901604
   0.46245069  0.24421813  0.77422092
   0.09765181  0.28702018  0.54449401
   0.36135426  0.46790953  0.85450151
   0.46416329  0.46100943  0.68020499
   0.22599229  0.34636464  0.70559362
   0.25487715  0.19797115 -0.12279792
   0.02883925  0.12102931  0.94177122
   0.11199352  0.57012700  0.07839874
   0.40452507  0.67275680  0.27930657
   0.12677303  0.83010310  0.04820002
   0.36025025  0.94252467  0.34227511
   0.41475529  0.88903507  0.16475379
   0.17578435  0.81643214  0.22978146
   0.33192640  0.62077432  0.46268960
   0.05995293  0.59354841  0.41554447
   0.18077751  0.52025373  0.57468583
   0.32003711  0.68893300  0.76472056
   0.11824422  0.78478604  0.51759603
   0.37167086  1.00106148  0.78413735
   0.47261148  0.88367122  0.63824907
   0.19109478  0.91259737  0.67469868
   0.29481928  0.69245813 -0.04679293
   0.03572496  0.64850256  0.90543740
   0.61890087  0.06739403  0.11398569
   0.82786660  0.18310713  0.23777349
   0.60581374  0.29452535  0.02186230
   0.85529574  0.44899758  0.35957578
   0.02723258  0.37448474  0.19146149
   0.76424995  0.40074240  0.15018094
   0.71599661  0.16860779  0.39978123
   0.47253445  0.13542887  0.44942600
   0.65022160  0.06003471  0.56629724
   0.86723833  0.21297778  0.80679624
   0.59934096  0.32735733  0.53650261
   0.85196960  0.46294409  0.85658377
   0.98061838  0.45817365  0.67627718
   0.72846123  0.39459974  0.69036551
   0.76092216  0.10131712  0.95557229
   0.49016476  0.07575077  0.94408687
   0.58095916  0.55807369  0.07182062
   0.90821266  0.69195081  0.28009666
   0.59775949  0.82343234  0.04111327
   0.86037983  0.94952230  0.33880043
   0.91936855  0.87664882  0.15056966
   0.67681448  0.85476564  0.22079894
   0.82031309  0.67091206  0.46249735
   0.57414318  0.55567429  0.40806659
   0.63705173  0.58860065  0.59483194
   0.79916254  0.71059996  0.80519701
   0.58620036  0.80609831  0.45244599
   0.91742735  0.94167115  0.83808895
   0.93462941  0.84728691  0.66372048
   0.69040501  0.94059520  0.73284570
   0.79350451  0.64818704  0.98362546
   0.54285936  0.65470618  0.89673421
   0.72488507  0.80503888  0.58800471
   0.50260077  0.82162578  0.49091736
   0.91737059  0.21140374  0.08856287
   0.91768264  0.37366988  0.38922035
   0.31537720  0.09682495  0.60608944
   0.30702989  0.78666841  0.77300798
   0.17443536  1.08144735  0.19176914
   0.25842915  1.09290077  0.03699008
   0.64680666  0.34234998  0.84939960
   0.88770688  0.42713464  0.66333978
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916992    0.276799   -0.132855
    -0.000000    9.915137    0.067654
    -0.000000    0.000000   14.026341
   Si   O    H 
    32    64    10
Direct configuration=  2069
   0.17090480  0.17857214 -0.02295322
   0.35907773  0.09499641  0.37068662
   0.14346889  0.41356455  0.11262021
   0.38283099  0.34280277  0.25042459
   0.08179362  0.15025816  0.48071327
   0.40110656  0.13246374  0.84494172
   0.11550645  0.40192196  0.62784335
   0.37020446  0.38788251  0.75407110
   0.13817556  0.68086768 -0.00809133
   0.42593278  0.57244128  0.37354341
   0.08863645  0.88898041  0.14599340
   0.34741136  0.82941476  0.25760335
   0.17656472  0.63230876  0.49029150
   0.37981951  0.62824957  0.86720570
   0.07247813  0.89405015  0.60082110
   0.33954667  0.97713705  0.67258788
   0.62268505  0.13824909  1.00558339
   0.84334118  0.11135652  0.33772402
   0.61060678  0.39791116  0.11400849
   0.88951745  0.29849238  0.16752107
   0.62153962  0.17433170  0.48665244
   0.88955752  0.09826617  0.88457551
   0.60355072  0.43200679  0.62803577
   0.76935595  0.35371727  0.80108992
   0.62911463  0.67352374 -0.00005753
   0.90874165  0.60730704  0.37411923
   0.57813879  0.91224731  0.13837059
   0.83960125  0.84074386  0.24482814
   0.65390551  0.65496914  0.48577913
   0.87435882  0.61670878  0.88627804
   0.63485315  0.91594282  0.63047004
   0.83588086  0.85818164  0.75733506
   0.09087490  0.05367470  0.15777898
   0.35553404  0.19043466  0.27880034
   0.13073308  0.32131303  0.01756655
   0.36319060  0.42878731  0.34711600
   0.52811822  0.36158453  0.21257198
   0.29551423  0.37628456  0.15671397
   0.21288328  0.10352771  0.42746101
  -0.03665730  0.18728724  0.40019044
   0.03588740  0.03765706  0.55877119
   0.46091387  0.24317828  0.77453700
   0.09664191  0.28635823  0.54422422
   0.36107073  0.46503945  0.85339581
   0.46449686  0.46115829  0.68081608
   0.22562718  0.34552226  0.70647453
   0.25488709  0.19928172 -0.12418430
   0.02908158  0.12044471  0.94245401
   0.11164165  0.56927908  0.07728441
   0.40493126  0.67129178  0.27837719
   0.12480807  0.82953121  0.04706434
   0.36066868  0.94171439  0.34215902
   0.41466501  0.88988886  0.16591732
   0.17704101  0.81692057  0.22909366
   0.33399423  0.62007037  0.46215129
   0.05951103  0.59353758  0.41581399
   0.18109750  0.52245839  0.57490179
   0.32181629  0.68832684  0.76435533
   0.11983539  0.78340898  0.51828000
   0.37186408  1.00160697  0.78356971
   0.47309155  0.88453345  0.63836088
   0.18900652  0.91258327  0.67527952
   0.29568367  0.69202108 -0.04653197
   0.03493810  0.64918837  0.90449099
   0.61900890  0.06720000  0.11464734
   0.82934775  0.18403038  0.23734530
   0.60469381  0.29452936  0.02204769
   0.85507992  0.44925799  0.35966700
   0.02876920  0.37450629  0.19089619
   0.76452770  0.39893495  0.15081484
   0.71743762  0.16787020  0.40017855
   0.47347448  0.13579348  0.44899193
   0.65086493  0.06128726  0.56754915
   0.86836895  0.21168397  0.80644190
   0.59932490  0.32694822  0.53615136
   0.85015832  0.46496828  0.85652760
   0.98019918  0.46045785  0.67611431
   0.73013099  0.39328559  0.69109265
   0.76162523  0.10216437  0.95498819
   0.49177266  0.07684184  0.94334619
   0.58089377  0.55802006  0.07171216
   0.90737685  0.69234617  0.28050479
   0.59906574  0.82415055  0.04206897
   0.85979909  0.94802545  0.33803523
   0.91895760  0.87739820  0.15228571
   0.67747677  0.85268166  0.22009727
   0.81980804  0.67123816  0.46242435
   0.57418777  0.55568763  0.40780643
   0.63837950  0.58808025  0.59517811
   0.79899090  0.70942994  0.80532811
   0.58656862  0.80577789  0.45251520
   0.91817020  0.94320782  0.83690048
   0.93368746  0.84771408  0.66262848
   0.69070179  0.93971095  0.73278123
   0.79416204  0.64838904  0.98270749
   0.54406832  0.65525298  0.89713816
   0.72672854  0.80971967  0.58769407
   0.50131438  0.81505458  0.48904292
   0.91981749  0.21807443  0.08999313
   0.92609472  0.37463835  0.39343718
   0.31912257  0.09469533  0.60217030
   0.29627042  0.78465486  0.77298517
   0.17361646  1.07472052  0.19202193
   0.25587557  1.09512881  0.03673210
   0.63977260  0.34115862  0.84656811
   0.88330279  0.42925521  0.66566468
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917799    0.278118   -0.132038
    -0.000000    9.916802    0.066201
    -0.000000    0.000000   14.026761
   Si   O    H 
    32    64    10
Direct configuration=  2070
   0.17008149  0.18013857 -0.02320789
   0.35885701  0.09563400  0.37029799
   0.14362116  0.41475512  0.11308426
   0.38344357  0.34321488  0.25011202
   0.08163003  0.14905546  0.48120922
   0.40090414  0.13296174  0.84443743
   0.11332234  0.40213932  0.62714968
   0.37013776  0.38563461  0.75370188
   0.13716345  0.68079793 -0.00804301
   0.42674659  0.57296490  0.37275460
   0.08917650  0.88907626  0.14507465
   0.34780193  0.82816006  0.25719430
   0.17827047  0.63193157  0.49101674
   0.38061050  0.62710839  0.86620254
   0.07186109  0.89329765  0.60114402
   0.34113684  0.97780906  0.67238452
   0.62337709  0.13789071  1.00564343
   0.84315577  0.11156800  0.33841798
   0.61041288  0.39787295  0.11405822
   0.88911612  0.29990568  0.16750415
   0.62079934  0.17345811  0.48605017
   0.89136891  0.09761410  0.88486312
   0.60253044  0.43233278  0.62811526
   0.76963769  0.35378794  0.80135183
   0.62902291  0.67456019  0.00042418
   0.90908144  0.60715682  0.37345313
   0.57573465  0.91198672  0.13900123
   0.83927902  0.83945875  0.24408775
   0.65412604  0.65570313  0.48604270
   0.87474402  0.61787688  0.88542986
   0.63581455  0.91605704  0.63031963
   0.83565140  0.85770309  0.75801085
   0.09057694  0.05591674  0.15964745
   0.35599863  0.19059168  0.27928094
   0.13056546  0.32219996  0.01903962
   0.36182589  0.42948903  0.34726088
   0.52921776  0.36112029  0.21141394
   0.29461864  0.37815122  0.15611490
   0.21278944  0.10411262  0.42725742
  -0.03670752  0.18620447  0.40055166
   0.03584067  0.03716009  0.55844938
   0.46044764  0.24230051  0.77526092
   0.09502689  0.28596527  0.54378390
   0.36088335  0.46261981  0.85212534
   0.46540486  0.46218744  0.68162938
   0.22472677  0.34500180  0.70731649
   0.25436305  0.20049491 -0.12537969
   0.02946448  0.11984953  0.94322912
   0.11150465  0.56812130  0.07576607
   0.40490183  0.67014120  0.27752345
   0.12292299  0.82925295  0.04534986
   0.36137239  0.93987471  0.34209320
   0.41478383  0.89104663  0.16743786
   0.17935373  0.81705993  0.22859467
   0.33640912  0.61962475  0.46165563
   0.05948428  0.59367803  0.41594139
   0.18214550  0.52500548  0.57566618
   0.32338140  0.68756449  0.76453852
   0.12165191  0.78266662  0.51955835
   0.37173044  1.00278979  0.78303912
   0.47326136  0.88550446  0.63820846
   0.18778898  0.91321303  0.67622071
   0.29632365  0.69153745 -0.04591948
   0.03311755  0.64996887  0.90344821
   0.61930678  0.06701698  0.11500339
   0.83087335  0.18473815  0.23701349
   0.60314046  0.29588558  0.02303820
   0.85506034  0.44976598  0.36056440
   0.03115595  0.37349997  0.19065925
   0.76483363  0.39729832  0.15150233
   0.71837345  0.16775121  0.40025176
   0.47383478  0.13648583  0.44814436
   0.65182926  0.06197792  0.56901269
   0.86909847  0.21158418  0.80612907
   0.59953905  0.32609668  0.53577095
   0.84878392  0.46747771  0.85685365
   0.97932433  0.46230950  0.67636351
   0.73173889  0.39181682  0.69219299
   0.76221920  0.10258019  0.95412071
   0.49338405  0.07806565  0.94224122
   0.58085025  0.55702930  0.07174140
   0.90600581  0.69289243  0.28018691
   0.60002791  0.82430870  0.04363034
   0.85983829  0.94640969  0.33720382
   0.91897547  0.87787276  0.15392426
   0.67803773  0.84985496  0.21943864
   0.81891221  0.67179899  0.46233249
   0.57467754  0.55572947  0.40798393
   0.63893201  0.58775936  0.59538770
   0.79856227  0.70894021  0.80554846
   0.58696557  0.80563459  0.45298075
   0.91851362  0.94457098  0.83579792
   0.93235820  0.84836426  0.66139492
   0.69187454  0.93817795  0.73298699
   0.79468999  0.64829756  0.98153946
   0.54489912  0.65533276  0.89744584
   0.72784237  0.81377097  0.58891388
   0.50113781  0.80884099  0.48468261
   0.92408631  0.22259616  0.08676012
   0.92475858  0.38338625  0.39371754
   0.32474027  0.08944418  0.60245532
   0.28517452  0.77764661  0.77267042
   0.17576896  1.07193588  0.19012614
   0.25708286  1.09579318  0.03991750
   0.63282349  0.34117842  0.84370415
   0.88747031  0.43431686  0.66898472
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918883    0.279005   -0.131256
    -0.000000    9.918147    0.064716
    -0.000000    0.000000   14.027355
   Si   O    H 
    32    64    10
Direct configuration=  2071
   0.16935933  0.18131164 -0.02364924
   0.35842555  0.09595263  0.37014230
   0.14363191  0.41619802  0.11324417
   0.38405671  0.34369458  0.24991066
   0.08079102  0.14821772  0.48161296
   0.40102262  0.13341098  0.84427683
   0.11115037  0.40264561  0.62665141
   0.37025532  0.38238405  0.75335466
   0.13646935  0.68062749 -0.00797982
   0.42766459  0.57324076  0.37170997
   0.08957264  0.88936476  0.14459496
   0.34817767  0.82628306  0.25640300
   0.17968756  0.63124091  0.49207411
   0.38226532  0.62558661  0.86580480
   0.07088692  0.89234031  0.60150766
   0.34279542  0.97790428  0.67164873
   0.62461392  0.13805214  1.00557461
   0.84386028  0.11262861  0.33901301
   0.61081890  0.39815465  0.11419246
   0.88824524  0.30054082  0.16701623
   0.62041592  0.17252677  0.48597982
   0.89351122  0.09732678  0.88510083
   0.60158333  0.43271479  0.62780587
   0.76997245  0.35282257  0.80178882
   0.62926298  0.67579765  0.00065214
   0.90944879  0.60695515  0.37335132
   0.57353188  0.91194180  0.13953549
   0.83861826  0.83818609  0.24399317
   0.65483906  0.65617633  0.48611671
   0.87533161  0.61915094  0.88470360
   0.63662332  0.91630978  0.62999268
   0.83592181  0.85719677  0.75865591
   0.08999143  0.05796165  0.16122585
   0.35642891  0.18936801  0.28013661
   0.13013271  0.32407430  0.02024867
   0.36022320  0.43066489  0.34761100
   0.52993949  0.36056578  0.21000360
   0.29278919  0.38041859  0.15602530
   0.21261639  0.10442002  0.42706783
  -0.03614164  0.18565352  0.40041566
   0.03563123  0.03720707  0.55763415
   0.46138140  0.24218906  0.77597099
   0.09389415  0.28494260  0.54305011
   0.36080975  0.46114041  0.85149724
   0.46657287  0.46311052  0.68264579
   0.22468718  0.34445230  0.70801201
   0.25326649  0.20101949 -0.12656863
   0.02963205  0.11961781  0.94411051
   0.10996280  0.56725982  0.07412075
   0.40502374  0.67022305  0.27692592
   0.12069875  0.82926668  0.04371548
   0.36158317  0.93684454  0.34191149
   0.41469302  0.89210095  0.16826559
   0.18214061  0.81658019  0.22854398
   0.33791131  0.62029166  0.46128063
   0.05945609  0.59339822  0.41581488
   0.18256055  0.52708148  0.57645487
   0.32565031  0.68665605  0.76411837
   0.12381565  0.78194821  0.52052129
   0.37171049  1.00384881  0.78268187
   0.47348522  0.88639328  0.63763221
   0.18806862  0.91374969  0.67689610
   0.29567015  0.69065119 -0.04501930
   0.03218860  0.65080191  0.90277487
   0.61935406  0.06815858  0.11532981
   0.83216100  0.18490814  0.23657978
   0.60092540  0.29785692  0.02420047
   0.85481317  0.45041450  0.36091271
   0.03295855  0.37323946  0.19002775
   0.76420638  0.39651178  0.15161901
   0.71917973  0.16770925  0.40015554
   0.47428696  0.13591328  0.44755702
   0.65331164  0.06202659  0.57039521
   0.86924062  0.21216600  0.80532027
   0.59980924  0.32458206  0.53535292
   0.84802379  0.46886892  0.85731706
   0.97886596  0.46392432  0.67646454
   0.73340152  0.39010438  0.69310126
   0.76340613  0.10222117  0.95360504
   0.49536265  0.07889248  0.94058930
   0.58118766  0.55538713  0.07208598
   0.90417088  0.69463634  0.27989590
   0.60139954  0.82473430  0.04492671
   0.85950006  0.94536823  0.33614951
   0.91904174  0.87799217  0.15533022
   0.67863924  0.84780563  0.21922808
   0.81703644  0.67279274  0.46193185
   0.57582865  0.55639714  0.40860232
   0.63898399  0.58746164  0.59481132
   0.79881438  0.70893505  0.80552439
   0.58753365  0.80555937  0.45370527
   0.91880194  0.94614295  0.83492963
   0.93099113  0.84868612  0.66007490
   0.69294297  0.93742730  0.73419692
   0.79499320  0.64792823  0.98088740
   0.54555484  0.65515891  0.89729321
   0.72431667  0.81869789  0.58761267
   0.49670968  0.80476185  0.48131582
   0.92546604  0.22504968  0.08124900
   0.91542762  0.39620447  0.39175609
   0.33130399  0.08442981  0.60322857
   0.27195667  0.77449352  0.76904753
   0.18401653  1.06805174  0.18930876
   0.25922058  1.09628751  0.04078473
   0.63262421  0.34287933  0.84148289
   0.88698329  0.43682930  0.67114156
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920046    0.280780   -0.130389
    -0.000000    9.919644    0.063634
    -0.000000    0.000000   14.027624
   Si   O    H 
    32    64    10
Direct configuration=  2072
   0.16894375  0.18252671 -0.02425068
   0.35841017  0.09589889  0.37038900
   0.14300930  0.41723474  0.11342443
   0.38462669  0.34373740  0.24977010
   0.08060638  0.14766845  0.48156888
   0.40092244  0.13363191  0.84485408
   0.10924799  0.40232112  0.62617319
   0.37053142  0.37865888  0.75296667
   0.13646222  0.68091735 -0.00743096
   0.42846008  0.57303970  0.37073972
   0.09007143  0.88921919  0.14404127
   0.34871788  0.82450903  0.25549100
   0.18052830  0.63106162  0.49270555
   0.38366616  0.62430725  0.86557123
   0.06980566  0.89165826  0.60164903
   0.34406633  0.97722344  0.67113746
   0.62556099  0.13907080  1.00561000
   0.84446946  0.11389054  0.33962085
   0.61148766  0.39888583  0.11389072
   0.88798325  0.30093706  0.16659574
   0.62034063  0.17152316  0.48600368
   0.89535635  0.09719158  0.88533898
   0.60105642  0.43329392  0.62702915
   0.77077964  0.35145603  0.80244132
   0.62986189  0.67660492  0.00063470
   0.90933031  0.60649502  0.37362718
   0.57147931  0.91208721  0.13995452
   0.83775644  0.83705532  0.24440517
   0.65599820  0.65646658  0.48617085
   0.87576931  0.62045592  0.88398044
   0.63750160  0.91720748  0.62963100
   0.83597485  0.85649360  0.75920035
   0.09019538  0.05934988  0.16285539
   0.35686606  0.18891317  0.28105535
   0.12999882  0.32575948  0.02170562
   0.35909009  0.43206711  0.34759888
   0.53058235  0.36016360  0.20868444
   0.29115400  0.38307072  0.15543816
   0.21373166  0.10417874  0.42695058
  -0.03549310  0.18445405  0.40049168
   0.03548927  0.03748728  0.55676174
   0.46238826  0.24184514  0.77718290
   0.09282975  0.28481938  0.54279400
   0.36059678  0.46110495  0.85112922
   0.46790035  0.46422778  0.68319331
   0.22470502  0.34329225  0.70886921
   0.25297258  0.20118126 -0.12748364
   0.02913687  0.11941518  0.94526112
   0.10835016  0.56672381  0.07260271
   0.40503952  0.67084067  0.27636847
   0.11833575  0.82962871  0.04202449
   0.36151372  0.93356377  0.34204117
   0.41544825  0.89365565  0.16816648
   0.18538853  0.81648150  0.22894705
   0.33879991  0.62193376  0.46092715
   0.05969461  0.59322294  0.41573909
   0.18308741  0.52892364  0.57781154
   0.32696703  0.68602047  0.76378898
   0.12475231  0.78178108  0.52132906
   0.37173184  1.00403540  0.78176535
   0.47313770  0.88709103  0.63674826
   0.18846198  0.91387543  0.67748167
   0.29484603  0.68973092 -0.04447207
   0.03269891  0.65136656  0.90191371
   0.61868589  0.06894440  0.11524281
   0.83348361  0.18564375  0.23574897
   0.59857089  0.29997940  0.02546450
   0.85395987  0.45140021  0.36033055
   0.03419135  0.37350341  0.18931070
   0.76387948  0.39665504  0.15129776
   0.71972640  0.16782941  0.39986443
   0.47472534  0.13502116  0.44679826
   0.65480422  0.06231949  0.57195186
   0.86897105  0.21265505  0.80444627
   0.59986461  0.32372033  0.53510740
   0.84738717  0.46993091  0.85799157
   0.97885558  0.46611466  0.67677451
   0.73532062  0.38932970  0.69382524
   0.76483583  0.10129641  0.95319794
   0.49643164  0.08090099  0.93925053
   0.58064128  0.55436224  0.07233600
   0.90146006  0.69623917  0.27980205
   0.60361778  0.82514851  0.04585674
   0.85938612  0.94455428  0.33508075
   0.91986372  0.87806712  0.15635428
   0.67881270  0.84629664  0.21842322
   0.81452042  0.67300025  0.46086649
   0.57710423  0.55731030  0.40950579
   0.63928413  0.58728055  0.59442630
   0.79947806  0.70883811  0.80546015
   0.58766836  0.80684377  0.45426963
   0.91888675  0.94809579  0.83456469
   0.93023697  0.84850106  0.65884859
   0.69415489  0.93694186  0.73559388
   0.79423717  0.64747577  0.98043936
   0.54613488  0.65492334  0.89676779
   0.72186767  0.82226296  0.58503560
   0.48914937  0.80048386  0.47844951
   0.92504096  0.23106143  0.07587889
   0.91731315  0.39373403  0.39666013
   0.33926683  0.08300986  0.60378751
   0.26461136  0.76781796  0.76272798
   0.18150044  1.06410651  0.18446812
   0.25845249  1.10017742  0.04017322
   0.63609478  0.34430372  0.83802114
   0.88075715  0.43692714  0.67176169
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920846    0.282482   -0.129305
    -0.000000    9.920948    0.062449
    -0.000000    0.000000   14.028383
   Si   O    H 
    32    64    10
Direct configuration=  2073
   0.16875292  0.18388956 -0.02474543
   0.35886375  0.09643419  0.37060918
   0.14226217  0.41816321  0.11364026
   0.38500397  0.34373653  0.24946608
   0.08024352  0.14798865  0.48190492
   0.40087150  0.13349653  0.84568663
   0.10756568  0.40230388  0.62592211
   0.37094495  0.37543619  0.75216145
   0.13667654  0.68158233 -0.00733183
   0.42908414  0.57251929  0.36978330
   0.08999015  0.88955129  0.14333718
   0.34865771  0.82322131  0.25514860
   0.18112478  0.63069001  0.49323630
   0.38460390  0.62359056  0.86537865
   0.06921073  0.89101089  0.60158719
   0.34580312  0.97632846  0.67084763
   0.62582080  0.13974945  1.00580754
   0.84503015  0.11485589  0.33970523
   0.61205684  0.39942285  0.11373454
   0.88779675  0.30130980  0.16600034
   0.61990894  0.17005058  0.48631747
   0.89690491  0.09728152  0.88545116
   0.60056090  0.43377733  0.62602203
   0.77086875  0.35017107  0.80309053
   0.63035510  0.67718078  0.00027008
   0.90909133  0.60569016  0.37394294
   0.56981722  0.91222235  0.14032817
   0.83699690  0.83608398  0.24466348
   0.65733514  0.65658466  0.48625688
   0.87655126  0.62207537  0.88387612
   0.63752722  0.91855464  0.62938980
   0.83645685  0.85533059  0.75959683
   0.09032722  0.06051725  0.16433045
   0.35713859  0.18913841  0.28153985
   0.12989942  0.32760091  0.02244697
   0.35822135  0.43342117  0.34737963
   0.53150946  0.35973396  0.20784264
   0.28953966  0.38541286  0.15449397
   0.21382994  0.10398264  0.42682641
  -0.03433778  0.18388270  0.40076206
   0.03523069  0.03799070  0.55568311
   0.46348996  0.24169885  0.77806149
   0.09244551  0.28557219  0.54281796
   0.36060647  0.46046886  0.85089059
   0.46856785  0.46544232  0.68360493
   0.22470852  0.34390313  0.70956585
   0.25262460  0.20127490 -0.12853504
   0.02959379  0.11853918  0.94607283
   0.10803041  0.56624339  0.07167205
   0.40471756  0.67226106  0.27606377
   0.11604094  0.83039841  0.04041263
   0.36175871  0.93022988  0.34179630
   0.41646858  0.89600586  0.16732104
   0.18873436  0.81661161  0.22929559
   0.33968908  0.62324957  0.46026631
   0.06002696  0.59283333  0.41548716
   0.18316003  0.53013930  0.57883778
   0.32811903  0.68523891  0.76325603
   0.12568467  0.78247408  0.52190626
   0.37136840  1.00346216  0.78111817
   0.47346416  0.88705215  0.63574497
   0.18940529  0.91407271  0.67792656
   0.29443445  0.68887957 -0.04381250
   0.03354205  0.65249566  0.90154363
   0.61677916  0.07000016  0.11459946
   0.83542300  0.18549460  0.23508647
   0.59520119  0.30173813  0.02719168
   0.85303826  0.45260572  0.35994055
   0.03517749  0.37408947  0.18828415
   0.76251216  0.39750807  0.15066069
   0.72026943  0.16792169  0.39916049
   0.47481106  0.13406992  0.44617236
   0.65574424  0.06237514  0.57317232
   0.86893729  0.21340941  0.80334160
   0.60056618  0.32334024  0.53502745
   0.84681850  0.46985390  0.85854149
   0.97845072  0.46781446  0.67666918
   0.73779072  0.38881373  0.69381679
   0.76546584  0.10019305  0.95294750
   0.49693429  0.08330277  0.93777178
   0.58037829  0.55312530  0.07211375
   0.89867069  0.69779279  0.27945097
   0.60535567  0.82516969  0.04623984
   0.85904207  0.94428932  0.33465087
   0.92164506  0.87815045  0.15674425
   0.67847993  0.84508227  0.21818153
   0.81300958  0.67331170  0.45987389
   0.57844420  0.55691660  0.41080999
   0.64005152  0.58646800  0.59441120
   0.80031819  0.70989041  0.80517949
   0.58635773  0.80822280  0.45446339
   0.91879787  0.95005622  0.83494955
   0.92959484  0.84886449  0.65820645
   0.69587959  0.93592747  0.73695357
   0.79304700  0.64707877  0.98001259
   0.54614357  0.65461609  0.89619549
   0.72256679  0.82371500  0.58013047
   0.48916187  0.80261287  0.47188349
   0.92098228  0.23449043  0.07162428
   0.91744890  0.39265602  0.40076412
   0.34392187  0.08539294  0.60118034
   0.26740415  0.75772994  0.75924596
   0.18418343  1.06128924  0.18298523
   0.25512572  1.10287140  0.03829123
   0.64099606  0.33991700  0.83613414
   0.87966054  0.43576436  0.67259982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921735    0.284225   -0.128373
    -0.000000    9.922652    0.061164
    -0.000000    0.000000   14.029188
   Si   O    H 
    32    64    10
Direct configuration=  2074
   0.16864568  0.18492032 -0.02521044
   0.35944668  0.09613093  0.37111390
   0.14160051  0.41956143  0.11392478
   0.38475997  0.34375837  0.24875382
   0.08005486  0.14899709  0.48193219
   0.40112813  0.13277460  0.84674390
   0.10616415  0.40159634  0.62578648
   0.37129363  0.37236212  0.75143376
   0.13695834  0.68246042 -0.00718760
   0.42976261  0.57217186  0.36923772
   0.08948428  0.88988558  0.14322990
   0.34850097  0.82131507  0.25485641
   0.18175592  0.63089994  0.49316634
   0.38534779  0.62276058  0.86538639
   0.06855106  0.89117063  0.60164445
   0.34703683  0.97597773  0.67035046
   0.62604265  0.14022788  1.00557897
   0.84584062  0.11566505  0.33960943
   0.61252547  0.39981477  0.11367918
   0.88834781  0.30143964  0.16535213
   0.61878817  0.16889317  0.48693281
   0.89827613  0.09723180  0.88539022
   0.60043094  0.43393534  0.62524426
   0.77092822  0.34926038  0.80415783
   0.63077195  0.67764993 -0.00016362
   0.90925623  0.60485738  0.37417892
   0.56917387  0.91231301  0.14039799
   0.83616877  0.83529258  0.24500989
   0.65853888  0.65695599  0.48642755
   0.87689456  0.62301780  0.88348866
   0.63752201  0.91949399  0.62914549
   0.83645186  0.85435142  0.76009745
   0.09095197  0.06109708  0.16590942
   0.35720079  0.18935551  0.28109970
   0.13024412  0.32770184  0.02242380
   0.35781297  0.43384895  0.34637835
   0.53260058  0.35958882  0.20710733
   0.28874408  0.38790616  0.15400740
   0.21417793  0.10387622  0.42690390
  -0.03319485  0.18354174  0.40106736
   0.03574769  0.03872941  0.55466788
   0.46517942  0.24190773  0.77891531
   0.09272859  0.28731625  0.54364448
   0.36085729  0.46051826  0.85157145
   0.46941205  0.46587248  0.68374822
   0.22443198  0.34458868  0.70969058
   0.25242527  0.20079516 -0.12919703
   0.02949276  0.11804715  0.94643612
   0.10774854  0.56679918  0.07028188
   0.40400516  0.67344574  0.27595737
   0.11420817  0.83066658  0.03904793
   0.36213755  0.92755852  0.34212610
   0.41707246  0.89808504  0.16652353
   0.19153650  0.81638517  0.22907749
   0.33971384  0.62472461  0.45927821
   0.06045235  0.59316982  0.41510387
   0.18272426  0.53076991  0.57989989
   0.32985546  0.68332042  0.76280034
   0.12613239  0.78299339  0.52319095
   0.37064770  1.00260958  0.78114213
   0.47416880  0.88546858  0.63456491
   0.18976652  0.91489571  0.67831205
   0.29376709  0.68867074 -0.04367334
   0.03438521  0.65399820  0.90128010
   0.61472247  0.07111771  0.11394305
   0.83752403  0.18500647  0.23480619
   0.59287147  0.30243961  0.02838222
   0.85326721  0.45275469  0.36030608
   0.03566833  0.37446495  0.18774288
   0.76111697  0.39853712  0.14977817
   0.72066184  0.16730665  0.39824706
   0.47569728  0.13333317  0.44546176
   0.65578659  0.06185001  0.57450744
   0.86848280  0.21455177  0.80240274
   0.60109588  0.32287750  0.53520542
   0.84704191  0.46986622  0.85858952
   0.97774930  0.46857694  0.67616951
   0.73936046  0.38855243  0.69371141
   0.76540509  0.09935727  0.95274049
   0.49761109  0.08594148  0.93697109
   0.58068033  0.55229443  0.07183665
   0.89513421  0.69970689  0.27941394
   0.60674505  0.82531937  0.04658485
   0.85976676  0.94419633  0.33431299
   0.92427778  0.87786192  0.15647532
   0.67791559  0.84416092  0.21796030
   0.81167620  0.67364215  0.45915357
   0.58042958  0.55639966  0.41199420
   0.64007086  0.58643489  0.59349570
   0.80163820  0.71075450  0.80506508
   0.58477738  0.80899344  0.45450920
   0.91839873  0.95227281  0.83565525
   0.92869926  0.84975466  0.65801021
   0.69722625  0.93471047  0.73798429
   0.79223155  0.64616110  0.98001218
   0.54630927  0.65480411  0.89606536
   0.72218372  0.82228713  0.57756124
   0.48683691  0.80515517  0.46350881
   0.91329365  0.23685346  0.06931923
   0.91280020  0.39332578  0.40127305
   0.34712142  0.08652972  0.60008972
   0.26386096  0.75826303  0.75707722
   0.18944556  1.06020531  0.18291694
   0.25265236  1.10483743  0.03712913
   0.64076486  0.33160177  0.83760051
   0.88522126  0.43730963  0.67314023
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922237    0.286403   -0.128196
    -0.000000    9.924083    0.060851
    -0.000000    0.000000   14.029561
   Si   O    H 
    32    64    10
Direct configuration=  2075
   0.16881445  0.18614157 -0.02622675
   0.36009580  0.09547303  0.37193252
   0.14089013  0.42125557  0.11394402
   0.38471611  0.34367274  0.24776480
   0.08002278  0.14949792  0.48214713
   0.40135636  0.13189332  0.84771190
   0.10561165  0.40036644  0.62601740
   0.37178198  0.36941181  0.75117796
   0.13692683  0.68298816 -0.00737839
   0.43068238  0.57263280  0.36865174
   0.08850435  0.89036455  0.14337452
   0.34839653  0.81975742  0.25438095
   0.18194514  0.63116564  0.49273942
   0.38611665  0.62113180  0.86505563
   0.06886063  0.89122766  0.60183226
   0.34842804  0.97574751  0.66972508
   0.62618971  0.14006860  1.00546603
   0.84660154  0.11681906  0.33946755
   0.61294112  0.40043301  0.11342808
   0.88912231  0.30129722  0.16439902
   0.61697823  0.16790535  0.48742990
   0.89930952  0.09714099  0.88511397
   0.60094728  0.43342423  0.62421518
   0.77135301  0.34830070  0.80524058
   0.63116557  0.67750361 -0.00106715
   0.90920079  0.60507131  0.37468085
   0.56929000  0.91200136  0.14044649
   0.83521313  0.83510654  0.24527850
   0.65949194  0.65767853  0.48653488
   0.87702080  0.62430495  0.88354998
   0.63715122  0.92043066  0.62882616
   0.83665198  0.85389941  0.76018396
   0.09123169  0.06098846  0.16781907
   0.35751983  0.18968320  0.28044923
   0.13040455  0.32840264  0.02199571
   0.35773773  0.43400459  0.34492577
   0.53338633  0.36015286  0.20660911
   0.28836302  0.39023442  0.15372067
   0.21505114  0.10365311  0.42713640
  -0.03115958  0.18385909  0.40063677
   0.03606202  0.03895427  0.55443890
   0.46651173  0.24126267  0.77933775
   0.09309635  0.28832315  0.54385609
   0.36111416  0.46001687  0.85288248
   0.46909658  0.46653165  0.68315053
   0.22355906  0.34549341  0.70906164
   0.25208927  0.19985478 -0.12896466
   0.02954541  0.11774602  0.94712490
   0.10769213  0.56813783  0.06917228
   0.40391948  0.67363299  0.27570665
   0.11337032  0.83038574  0.03836777
   0.36284631  0.92597668  0.34250054
   0.41740744  0.89961759  0.16565383
   0.19382416  0.81626321  0.22817955
   0.33947208  0.62672480  0.45815685
   0.06178847  0.59388033  0.41511083
   0.18204127  0.53127782  0.58052402
   0.33122083  0.68110770  0.76324498
   0.12636587  0.78319073  0.52473950
   0.37003327  1.00176372  0.78141408
   0.47486683  0.88354745  0.63359953
   0.19039381  0.91593006  0.67885891
   0.29297110  0.68932478 -0.04402923
   0.03553435  0.65608542  0.90124792
   0.61292404  0.07193149  0.11321892
   0.83948327  0.18418256  0.23466138
   0.58997127  0.30275610  0.02922557
   0.85365565  0.45403415  0.36088497
   0.03488967  0.37429991  0.18800823
   0.76034810  0.39940837  0.14923910
   0.72104955  0.16617460  0.39743784
   0.47624977  0.13268006  0.44448189
   0.65501240  0.06143501  0.57572829
   0.86866456  0.21551667  0.80179673
   0.60189347  0.32260868  0.53543395
   0.84784100  0.46914527  0.85879342
   0.97743480  0.46924164  0.67609668
   0.74024548  0.38809451  0.69379369
   0.76574321  0.09847844  0.95258398
   0.49822297  0.08883187  0.93644043
   0.58052154  0.55172204  0.07180212
   0.89251613  0.70094270  0.27961450
   0.60861957  0.82529656  0.04666143
   0.85983983  0.94454789  0.33386257
   0.92697556  0.87757838  0.15561400
   0.67717172  0.84340842  0.21761378
   0.81066257  0.67396399  0.45823090
   0.58190696  0.55591194  0.41257449
   0.63941230  0.58687184  0.59246944
   0.80339634  0.71258266  0.80482343
   0.58353798  0.80891195  0.45480678
   0.91822043  0.95438061  0.83647095
   0.92794713  0.85033352  0.65829133
   0.69797206  0.93369491  0.73874425
   0.79091779  0.64556512  0.97963461
   0.54620227  0.65550041  0.89583795
   0.72172395  0.82254291  0.57371922
   0.48411980  0.81065083  0.45298481
   0.90397769  0.24291278  0.06950852
   0.90897918  0.39701515  0.39827070
   0.34590789  0.08385303  0.59880817
   0.26306203  0.76154499  0.75513160
   0.18731934  1.06311149  0.18404300
   0.25380464  1.10402615  0.03768663
   0.63727864  0.32344735  0.84206270
   0.89164267  0.43809956  0.67454979
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922788    0.289065   -0.127982
    -0.000000    9.925504    0.060660
    -0.000000    0.000000   14.029931
   Si   O    H 
    32    64    10
Direct configuration=  2076
   0.16965853  0.18721402 -0.02760671
   0.36079902  0.09413016  0.37254233
   0.14033065  0.42216969  0.11398546
   0.38443176  0.34400813  0.24687250
   0.07949929  0.14967150  0.48263610
   0.40232016  0.13060885  0.84866814
   0.10592618  0.39922827  0.62641846
   0.37237045  0.36766299  0.75077330
   0.13687203  0.68406501 -0.00787739
   0.43131468  0.57282400  0.36802596
   0.08813365  0.89046574  0.14387115
   0.34856152  0.81869411  0.25374814
   0.18231290  0.63151158  0.49228281
   0.38639171  0.62012496  0.86526853
   0.06871817  0.89169132  0.60199598
   0.34957317  0.97604323  0.66929755
   0.62641009  0.13964910  1.00521340
   0.84722464  0.11744388  0.33941055
   0.61319902  0.40125307  0.11323365
   0.88995168  0.30045831  0.16354421
   0.61622158  0.16738065  0.48763969
   0.90016309  0.09769100  0.88508822
   0.60170706  0.43274202  0.62275821
   0.77141142  0.34699099  0.80659302
   0.63130780  0.67697680 -0.00180321
   0.90873601  0.60549810  0.37544016
   0.56980662  0.91170886  0.14039241
   0.83396497  0.83536468  0.24568959
   0.65989284  0.65849208  0.48665785
   0.87731637  0.62508363  0.88367980
   0.63632115  0.92160683  0.62833342
   0.83712928  0.85421112  0.76019978
   0.09277298  0.06070683  0.16938171
   0.35812018  0.19042775  0.28000258
   0.13048802  0.32883301  0.02114432
   0.35770444  0.43367976  0.34309308
   0.53386755  0.36032254  0.20610631
   0.28836761  0.39235027  0.15368199
   0.21579179  0.10451013  0.42684138
  -0.02786070  0.18480976  0.40051000
   0.03562608  0.03838367  0.55419144
   0.46795327  0.24089354  0.77960428
   0.09342469  0.28989899  0.54395560
   0.36110106  0.45883466  0.85359350
   0.46912745  0.46691050  0.68241890
   0.22249245  0.34622498  0.70869288
   0.25197872  0.19942271 -0.12874128
   0.02949977  0.11741786  0.94778626
   0.10793742  0.56934988  0.06758562
   0.40353552  0.67316324  0.27603930
   0.11239909  0.83016905  0.03762299
   0.36302018  0.92486591  0.34262132
   0.41726922  0.90118797  0.16465279
   0.19491109  0.81651077  0.22659636
   0.33919243  0.62864103  0.45675245
   0.06260638  0.59445452  0.41539549
   0.18157355  0.53114467  0.58165716
   0.33106016  0.67880115  0.76381460
   0.12571602  0.78374131  0.52597840
   0.36901892  1.00089751  0.78183446
   0.47635474  0.88173568  0.63282351
   0.19243306  0.91646822  0.67991325
   0.29189515  0.68973745 -0.04452440
   0.03669228  0.65865119  0.90093791
   0.61097489  0.07324707  0.11277649
   0.84117707  0.18314557  0.23434961
   0.58724693  0.30219139  0.02919277
   0.85393370  0.45467945  0.36129363
   0.03416823  0.37460382  0.18917630
   0.75989217  0.39899447  0.14883124
   0.72084839  0.16471206  0.39750762
   0.47728336  0.13150395  0.44265728
   0.65486004  0.06069587  0.57617485
   0.86895805  0.21634339  0.80188625
   0.60285069  0.32191031  0.53577828
   0.84871625  0.46859123  0.85894775
   0.97811300  0.47018715  0.67536940
   0.74048314  0.38781399  0.69340772
   0.76594916  0.09799520  0.95207984
   0.49928441  0.09151908  0.93591018
   0.58073044  0.55211425  0.07168434
   0.89051923  0.70154286  0.28058389
   0.61071392  0.82525066  0.04627734
   0.86010821  0.94543241  0.33370728
   0.92910359  0.87734507  0.15501051
   0.67681675  0.84252594  0.21742865
   0.81032036  0.67422778  0.45720671
   0.58302808  0.55624986  0.41286082
   0.63915233  0.58687245  0.59115031
   0.80477823  0.71456902  0.80451372
   0.58246154  0.80849024  0.45573257
   0.91774194  0.95523449  0.83636358
   0.92715149  0.85068576  0.65863982
   0.69806550  0.93264629  0.73914613
   0.79023255  0.64507808  0.97961785
   0.54634589  0.65635603  0.89604778
   0.71811192  0.82337854  0.57100557
   0.48322690  0.81769578  0.44537836
   0.89727185  0.24836311  0.06830821
   0.91093640  0.39171121  0.40037099
   0.34472623  0.08206956  0.59874587
   0.27149681  0.75611603  0.75534441
   0.18319110  1.07203225  0.18521652
   0.25391983  1.10328235  0.03890533
   0.63374027  0.31444176  0.84847249
   0.88221667  0.43855961  0.67359885
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923200    0.292688   -0.128335
    -0.000000    9.927181    0.060100
    -0.000000    0.000000   14.029724
   Si   O    H 
    32    64    10
Direct configuration=  2077
   0.17045165  0.18759461 -0.02830226
   0.36136157  0.09279297  0.37305554
   0.13884398  0.42348042  0.11404119
   0.38403357  0.34447368  0.24567427
   0.07932124  0.14950565  0.48330697
   0.40322327  0.12901282  0.84915248
   0.10647092  0.39852919  0.62713250
   0.37298247  0.36693198  0.75070199
   0.13635761  0.68507176 -0.00848707
   0.43166486  0.57274839  0.36750998
   0.08841121  0.89079502  0.14419306
   0.34914345  0.81887244  0.25353616
   0.18274843  0.63223258  0.49197992
   0.38633913  0.61934474  0.86537619
   0.06879903  0.89228744  0.60234557
   0.35116277  0.97644945  0.66880910
   0.62576265  0.13925870  1.00506826
   0.84829506  0.11758738  0.33883625
   0.61321063  0.40243834  0.11315286
   0.89058611  0.29969246  0.16246834
   0.61597488  0.16637510  0.48782736
   0.90147893  0.09806699  0.88452627
   0.60315078  0.43225884  0.62131972
   0.77100570  0.34582765  0.80794562
   0.63171720  0.67563172 -0.00250224
   0.90855478  0.60627060  0.37643201
   0.57058593  0.91192792  0.14000755
   0.83255150  0.83611178  0.24611079
   0.65981557  0.65883557  0.48691097
   0.87752470  0.62567983  0.88428009
   0.63576882  0.92226687  0.62779925
   0.83788452  0.85546217  0.76053222
   0.09359133  0.05948904  0.17024872
   0.35911063  0.19085948  0.27910150
   0.13032806  0.32854945  0.01993994
   0.35740545  0.43321848  0.34108746
   0.53451828  0.36009337  0.20589613
   0.28885290  0.39376036  0.15344880
   0.21704025  0.10537253  0.42658900
  -0.02526941  0.18434283  0.40020608
   0.03495666  0.03707846  0.55365558
   0.46910076  0.23962373  0.77989393
   0.09336114  0.29096214  0.54412719
   0.36127603  0.45757147  0.85389274
   0.46937218  0.46663863  0.68169982
   0.22060424  0.34649567  0.70788373
   0.25181045  0.19892030 -0.12842547
   0.03047827  0.11712110  0.94833692
   0.10807920  0.57046901  0.06601091
   0.40396391  0.67198095  0.27712408
   0.11155918  0.83002291  0.03676243
   0.36307053  0.92443435  0.34269839
   0.41698525  0.90238297  0.16331202
   0.19560977  0.81709610  0.22512626
   0.33848642  0.63012439  0.45541248
   0.06358922  0.59500496  0.41582895
   0.18165764  0.53150355  0.58235820
   0.33032577  0.67683180  0.76425473
   0.12513907  0.78488134  0.52711499
   0.36779060  0.99964465  0.78200590
   0.47800811  0.87993759  0.63215929
   0.19399830  0.91715370  0.68014387
   0.29071923  0.68965119 -0.04533747
   0.03718533  0.66040793  0.90023660
   0.60941598  0.07376668  0.11292004
   0.84226130  0.18176583  0.23388806
   0.58519872  0.30044352  0.02854360
   0.85487280  0.45498299  0.36207507
   0.03340899  0.37595919  0.19070898
   0.76000445  0.39916202  0.14876491
   0.72080115  0.16313862  0.39828934
   0.47761828  0.12993484  0.44124906
   0.65496912  0.06178454  0.57573408
   0.86997633  0.21649619  0.80220466
   0.60357589  0.32075511  0.53570410
   0.84992855  0.46775734  0.85929152
   0.97751406  0.47135120  0.67452203
   0.74082887  0.38774747  0.69351042
   0.76590311  0.09757143  0.95171226
   0.50005833  0.09406952  0.93644231
   0.58077486  0.55264280  0.07138098
   0.88940087  0.70064863  0.28125886
   0.61260155  0.82515434  0.04614447
   0.86017707  0.94732383  0.33370129
   0.93079324  0.87623775  0.15480990
   0.67535027  0.84179038  0.21720244
   0.80975728  0.67440587  0.45627329
   0.58374357  0.55669528  0.41263203
   0.63887052  0.58696604  0.59028706
   0.80610201  0.71702867  0.80449908
   0.58141369  0.80799936  0.45746657
   0.91735136  0.95412721  0.83670752
   0.92708063  0.85036048  0.65875892
   0.69760407  0.93120185  0.73943945
   0.78925598  0.64485618  0.98003008
   0.54665774  0.65723355  0.89641831
   0.71580999  0.82494152  0.57309401
   0.48493591  0.82075285  0.43820544
   0.89244081  0.25156154  0.06551793
   0.91159579  0.38445453  0.40299874
   0.34252916  0.08221755  0.59915428
   0.27859049  0.75107026  0.75504792
   0.18633315  1.08100164  0.18901508
   0.25340756  1.10117877  0.04107605
   0.63803969  0.30690460  0.85524698
   0.87865135  0.43940229  0.67175116
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923791    0.296455   -0.128774
    -0.000000    9.928983    0.059501
    -0.000000    0.000000   14.029113
   Si   O    H 
    32    64    10
Direct configuration=  2078
   0.17123475  0.18773159 -0.02889981
   0.36123231  0.09161734  0.37342547
   0.13787362  0.42452146  0.11386358
   0.38292187  0.34569547  0.24426802
   0.07934897  0.15000895  0.48372359
   0.40305312  0.12783925  0.85030326
   0.10731808  0.39840929  0.62814335
   0.37339442  0.36695767  0.75056933
   0.13670712  0.68642757 -0.00895004
   0.43153228  0.57273107  0.36750018
   0.08876546  0.89113824  0.14432202
   0.34945718  0.81918306  0.25332918
   0.18250274  0.63363727  0.49136110
   0.38659855  0.61848776  0.86531246
   0.06922112  0.89228063  0.60269421
   0.35237096  0.97651925  0.66807975
   0.62564001  0.13889249  1.00529258
   0.84928403  0.11724456  0.33806552
   0.61287940  0.40357503  0.11304243
   0.89074787  0.29873759  0.16194092
   0.61657901  0.16526951  0.48774696
   0.90222335  0.09864594  0.88404140
   0.60483088  0.43166967  0.61996081
   0.77094904  0.34495552  0.80902849
   0.63183494  0.67440250 -0.00287191
   0.90825524  0.60660820  0.37719680
   0.57180817  0.91268588  0.13957914
   0.83097867  0.83745144  0.24642939
   0.65916524  0.65936924  0.48710132
   0.87788851  0.62612121  0.88489175
   0.63559966  0.92276828  0.62717815
   0.83889195  0.85729534  0.76067211
   0.09358135  0.05811200  0.17065134
   0.35973965  0.19139660  0.27806121
   0.13026086  0.32773188  0.01854309
   0.35787447  0.43299691  0.33990645
   0.53483794  0.35995512  0.20589658
   0.28992681  0.39505544  0.15359325
   0.21810770  0.10566306  0.42592582
  -0.02289085  0.18412233  0.39920036
   0.03432796  0.03479571  0.55333238
   0.47074154  0.23804102  0.78003993
   0.09269762  0.29185876  0.54467312
   0.36115152  0.45698543  0.85353505
   0.46934594  0.46576704  0.68096138
   0.22080640  0.34734722  0.70697391
   0.25202016  0.19848168 -0.12821134
   0.03146090  0.11710414  0.94913729
   0.10786358  0.57138977  0.06480868
   0.40487979  0.67124544  0.27781484
   0.11094118  0.83060587  0.03650424
   0.36351472  0.92387810  0.34280812
   0.41703621  0.90412495  0.16236580
   0.19541529  0.81686229  0.22312472
   0.33721684  0.63180948  0.45423628
   0.06389998  0.59482112  0.41620960
   0.18101449  0.53104839  0.58226836
   0.32992754  0.67403955  0.76500311
   0.12424275  0.78597318  0.52761418
   0.36660191  0.99931799  0.78280359
   0.47964389  0.87777277  0.63145612
   0.19475900  0.91740283  0.68027426
   0.29049795  0.68931928 -0.04600355
   0.03677556  0.66284001  0.89928488
   0.60822310  0.07448758  0.11291451
   0.84285710  0.18092324  0.23390599
   0.58383977  0.29833539  0.02822864
   0.85639114  0.45521906  0.36320684
   0.03266654  0.37817710  0.19195611
   0.76009432  0.39945306  0.14906291
   0.71953701  0.16234845  0.39915488
   0.47700661  0.12821358  0.44076277
   0.65585650  0.06326905  0.57523482
   0.87069390  0.21620560  0.80311045
   0.60414408  0.31861317  0.53588000
   0.85123203  0.46802283  0.85955829
   0.97731959  0.47200229  0.67392074
   0.74081392  0.38781331  0.69386118
   0.76459853  0.09815752  0.95098998
   0.50033885  0.09612900  0.93688821
   0.58007214  0.55394249  0.07076909
   0.88796673  0.69821742  0.28234083
   0.61409911  0.82546396  0.04598999
   0.85995026  0.95030420  0.33331005
   0.93150366  0.87535054  0.15462690
   0.67423543  0.84231267  0.21717366
   0.80983171  0.67492107  0.45543196
   0.58492507  0.55714804  0.41190744
   0.63815582  0.58763309  0.58949306
   0.80713774  0.71825924  0.80418777
   0.58063041  0.80715314  0.45920072
   0.91737855  0.95225987  0.83689935
   0.92810096  0.84986784  0.65915430
   0.69638625  0.93015137  0.73954462
   0.78886702  0.64463906  0.98073077
   0.54698559  0.65780912  0.89684947
   0.71482972  0.82309702  0.57858908
   0.48714151  0.82379999  0.43271720
   0.89097069  0.25089464  0.06308563
   0.90718684  0.38130320  0.39960817
   0.34229985  0.08431122  0.59750141
   0.27665750  0.76440051  0.75150436
   0.18873249  1.08981321  0.19274898
   0.25401696  1.10264442  0.04201164
   0.64830098  0.30483642  0.85825378
   0.88349981  0.44316842  0.67076457
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923779    0.299732   -0.129004
    -0.000000    9.930539    0.059035
    -0.000000    0.000000   14.028511
   Si   O    H 
    32    64    10
Direct configuration=  2079
   0.17150945  0.18759194 -0.02962482
   0.36011390  0.09049742  0.37355711
   0.13786632  0.42545785  0.11324861
   0.38145312  0.34711176  0.24333048
   0.07960360  0.15073234  0.48409137
   0.40288740  0.12679666  0.85110570
   0.10863380  0.39800071  0.62905263
   0.37349630  0.36710525  0.75014862
   0.13673240  0.68769882 -0.01014130
   0.43162789  0.57217252  0.36793995
   0.08869279  0.89180861  0.14454747
   0.34972710  0.81971182  0.25315025
   0.18238152  0.63485929  0.49052006
   0.38679737  0.61745356  0.86516314
   0.06990372  0.89215551  0.60312042
   0.35306510  0.97612617  0.66701766
   0.62596050  0.13787907  1.00577630
   0.85006910  0.11742037  0.33750044
   0.61213087  0.40424724  0.11296826
   0.89065216  0.29815537  0.16166533
   0.61696993  0.16417538  0.48765266
   0.90259883  0.09892758  0.88358480
   0.60574822  0.43111522  0.61896581
   0.77063632  0.34408256  0.80993384
   0.63247361  0.67306815 -0.00294437
   0.90809767  0.60747261  0.37770528
   0.57278821  0.91360109  0.13958927
   0.82958169  0.83910700  0.24705778
   0.65849060  0.65942533  0.48679706
   0.87799596  0.62620740  0.88556991
   0.63537037  0.92304061  0.62694016
   0.84009277  0.85943640  0.76067252
   0.09484564  0.05761609  0.17155796
   0.35986061  0.19223561  0.27729785
   0.13109632  0.32714563  0.01752859
   0.35856965  0.43344549  0.33905162
   0.53501556  0.36036328  0.20569741
   0.29085160  0.39670206  0.15378504
   0.21791129  0.10614410  0.42502088
  -0.02191038  0.18481061  0.39797804
   0.03392335  0.03247343  0.55349627
   0.47271567  0.23667843  0.78045510
   0.09155894  0.29261481  0.54526577
   0.36062498  0.45713736  0.85248314
   0.46880525  0.46450152  0.68012514
   0.22031376  0.34818897  0.70571391
   0.25182086  0.19872961 -0.12822795
   0.03215903  0.11614684  0.94988536
   0.10801763  0.57137585  0.06380495
   0.40525980  0.67112117  0.27832469
   0.11052772  0.83164569  0.03629721
   0.36472820  0.92480422  0.34343876
   0.41724434  0.90529797  0.16170987
   0.19477590  0.81642996  0.22108419
   0.33585870  0.63407483  0.45238320
   0.06388295  0.59392713  0.41666313
   0.18094226  0.53141928  0.58224615
   0.32901437  0.67217097  0.76536431
   0.12374532  0.78638586  0.52744327
   0.36525441  0.99949170  0.78397895
   0.48022397  0.87644731  0.63141144
   0.19510561  0.91676456  0.68039736
   0.29071587  0.68851126 -0.04637926
   0.03587391  0.66435778  0.89865302
   0.60695273  0.07431328  0.11285368
   0.84253705  0.18074610  0.23368845
   0.58328832  0.29626319  0.02798538
   0.85830124  0.45502821  0.36414453
   0.03180046  0.37941668  0.19350851
   0.76149488  0.39924154  0.14988282
   0.71867017  0.16147809  0.40013051
   0.47572577  0.12628788  0.44050315
   0.65630127  0.06495434  0.57450861
   0.87219720  0.21458353  0.80453092
   0.60426729  0.31681910  0.53700711
   0.85210231  0.46803308  0.85935972
   0.97730517  0.47192287  0.67279302
   0.74037463  0.38774308  0.69373573
   0.76416313  0.09910087  0.95066851
   0.50129877  0.09797419  0.93743414
   0.57945679  0.55576480  0.07021842
   0.88733879  0.69534026  0.28345145
   0.61515297  0.82644093  0.04550280
   0.85915745  0.95313650  0.33269225
   0.93138372  0.87367255  0.15506293
   0.67276443  0.84299071  0.21739595
   0.81008596  0.67562951  0.45507181
   0.58640111  0.55769005  0.41190542
   0.63725938  0.58807639  0.58869744
   0.80891402  0.71896551  0.80400652
   0.57963392  0.80609080  0.46114349
   0.91735316  0.95076932  0.83735103
   0.92882764  0.84857390  0.65975546
   0.69486293  0.92949699  0.73935227
   0.78814909  0.64583635  0.98198495
   0.54674727  0.65824825  0.89693107
   0.71571470  0.82064543  0.58497624
   0.49005775  0.82753683  0.42953631
   0.89394186  0.24911049  0.06042294
   0.90193822  0.38136901  0.39610792
   0.34276988  0.08532209  0.59624915
   0.27939415  0.76724634  0.74988800
   0.18213329  1.09671600  0.19387211
   0.25295844  1.10454750  0.03885632
   0.65690851  0.30136984  0.85919608
   0.88947956  0.44607803  0.67030111
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923836    0.302580   -0.129122
    -0.000000    9.932214    0.058246
    -0.000000    0.000000   14.028047
   Si   O    H 
    32    64    10
Direct configuration=  2080
   0.17175521  0.18694829 -0.03032765
   0.35839672  0.08921557  0.37349003
   0.13828456  0.42572120  0.11268142
   0.38068206  0.34791256  0.24304134
   0.08020021  0.15251058  0.48461919
   0.40254963  0.12619524  0.85193404
   0.11047000  0.39793477  0.62987882
   0.37316498  0.36773271  0.74999476
   0.13701417  0.68917126 -0.01153742
   0.43156619  0.57189570  0.36830972
   0.08937107  0.89208039  0.14467479
   0.34960343  0.82040615  0.25249224
   0.18305052  0.63630289  0.48954501
   0.38725215  0.61598914  0.86525174
   0.07009443  0.89142984  0.60363363
   0.35377316  0.97609535  0.66642438
   0.62631721  0.13686598  1.00612658
   0.85097033  0.11761573  0.33706668
   0.61061347  0.40517861  0.11269114
   0.89093875  0.29774382  0.16106461
   0.61706142  0.16330068  0.48741557
   0.90294959  0.09876560  0.88322439
   0.60641316  0.43038103  0.61863818
   0.77040363  0.34403428  0.81061802
   0.63329157  0.67194953 -0.00334562
   0.90819268  0.60776322  0.37828583
   0.57385282  0.91438729  0.13926815
   0.82877377  0.84086146  0.24771657
   0.65790992  0.65967208  0.48657763
   0.87842445  0.62599621  0.88619814
   0.63565532  0.92331189  0.62680723
   0.84137052  0.86133505  0.76078524
   0.09655060  0.05706707  0.17254454
   0.35951043  0.19306206  0.27674341
   0.13174997  0.32660826  0.01646229
   0.35883819  0.43474516  0.33881852
   0.53523171  0.36053634  0.20564601
   0.29100999  0.39864075  0.15412192
   0.21720480  0.10764321  0.42383449
  -0.02117041  0.18526540  0.39655076
   0.03419029  0.03107828  0.55349515
   0.47475415  0.23657617  0.78052868
   0.09000685  0.29301452  0.54532024
   0.36005238  0.45642651  0.85130579
   0.46848870  0.46247376  0.67932390
   0.21992580  0.34885761  0.70473616
   0.25257095  0.19961502 -0.12872351
   0.03253411  0.11583423  0.95065223
   0.10772340  0.57073742  0.06269706
   0.40556163  0.67049195  0.27893766
   0.11115939  0.83183428  0.03674157
   0.36561014  0.92539591  0.34429746
   0.41739085  0.90588780  0.16174485
   0.19386039  0.81545491  0.21922505
   0.33465354  0.63614769  0.45089109
   0.06402184  0.59328536  0.41667894
   0.18107902  0.53193671  0.58195395
   0.32867046  0.67041453  0.76530423
   0.12298564  0.78592789  0.52692572
   0.36350144  0.99943278  0.78514085
   0.48002825  0.87555944  0.63115190
   0.19586864  0.91508774  0.68023176
   0.29051693  0.68775067 -0.04709156
   0.03415846  0.66542400  0.89805660
   0.60614270  0.07372477  0.11316030
   0.84257096  0.17994905  0.23323310
   0.58320786  0.29479006  0.02842440
   0.85978384  0.45560321  0.36447311
   0.03086233  0.38122354  0.19481399
   0.76373895  0.39866062  0.15075459
   0.71795445  0.15990370  0.40039566
   0.47509348  0.12521652  0.44052775
   0.65716521  0.06632247  0.57398710
   0.87371826  0.21296723  0.80544107
   0.60439573  0.31597191  0.53834483
   0.85249228  0.46833702  0.85838659
   0.97814708  0.47193277  0.67183718
   0.73911100  0.38763832  0.69391146
   0.76426987  0.09947674  0.95067758
   0.50240329  0.09905395  0.93804624
   0.57804496  0.55760795  0.06949424
   0.88747475  0.69261433  0.28403822
   0.61556280  0.82735512  0.04510484
   0.85851381  0.95578390  0.33198108
   0.93082747  0.87215813  0.15557159
   0.67233605  0.84384934  0.21716423
   0.81096072  0.67543249  0.45540265
   0.58760675  0.55778128  0.41123112
   0.63693915  0.58811968  0.58786966
   0.81068440  0.72025339  0.80408454
   0.57919714  0.80485078  0.46317642
   0.91683242  0.94933160  0.83855658
   0.92915307  0.84761091  0.66035151
   0.69343413  0.92942951  0.73890014
   0.78780812  0.64622986  0.98355078
   0.54573297  0.65827955  0.89731275
   0.72152402  0.81710990  0.59320590
   0.49662019  0.82795279  0.42858806
   0.90104664  0.24819584  0.05978658
   0.90209898  0.37810835  0.39464490
   0.34499531  0.09030372  0.59468883
   0.28692639  0.75736483  0.75014710
   0.17115974  1.10231211  0.19356405
   0.25066173  1.10490216  0.03492845
   0.65939385  0.29993005  0.86389316
   0.88096514  0.44297171  0.67030816
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924006    0.304805   -0.129330
    -0.000000    9.934022    0.057480
    -0.000000    0.000000   14.027509
   Si   O    H 
    32    64    10
Direct configuration=  2081
   0.17187708  0.18621222 -0.03117412
   0.35681038  0.08794205  0.37323930
   0.13824471  0.42601779  0.11222210
   0.37972593  0.34864804  0.24253818
   0.08027149  0.15455683  0.48509736
   0.40219574  0.12603861  0.85261371
   0.11172482  0.39830852  0.63032025
   0.37282803  0.36795541  0.75032601
   0.13766190  0.69011737 -0.01270339
   0.43180083  0.57165269  0.36845396
   0.09044436  0.89204456  0.14483407
   0.34985086  0.82070565  0.25202650
   0.18380567  0.63763921  0.48884299
   0.38753931  0.61483617  0.86555454
   0.06994260  0.89077163  0.60390981
   0.35430815  0.97635667  0.66562811
   0.62671396  0.13620446  1.00675063
   0.85194258  0.11786835  0.33679285
   0.60951960  0.40604746  0.11201560
   0.89118330  0.29725670  0.16044619
   0.61671299  0.16290730  0.48757341
   0.90278834  0.09840712  0.88313813
   0.60676303  0.42974544  0.61835807
   0.77075739  0.34403794  0.81081998
   0.63381047  0.67112936 -0.00366953
   0.90853415  0.60839545  0.37867744
   0.57470783  0.91551085  0.13913943
   0.82810514  0.84288597  0.24777455
   0.65756034  0.65993796  0.48636974
   0.87819662  0.62569034  0.88640155
   0.63578732  0.92315421  0.62674619
   0.84307916  0.86304800  0.76044870
   0.09695061  0.05578156  0.17298973
   0.35930602  0.19407418  0.27610494
   0.13125760  0.32636065  0.01570521
   0.35845834  0.43528847  0.33860328
   0.53575964  0.36145538  0.20564446
   0.29092124  0.40035785  0.15457491
   0.21654095  0.10946946  0.42328145
  -0.02095153  0.18552714  0.39469610
   0.03378322  0.02947158  0.55301370
   0.47652611  0.23627411  0.78129447
   0.08827589  0.29263670  0.54509756
   0.35972716  0.45632527  0.85000708
   0.46824958  0.45965210  0.67840891
   0.22009600  0.34996414  0.70389333
   0.25387317  0.20075668 -0.12895366
   0.03359868  0.11527023  0.95081585
   0.10722888  0.56932224  0.06192626
   0.40608751  0.67056299  0.27957381
   0.11196240  0.83309667  0.03635579
   0.36598904  0.92558059  0.34462199
   0.41757135  0.90593744  0.16206644
   0.19297278  0.81478997  0.21838232
   0.33373481  0.63783337  0.44977918
   0.06388172  0.59324618  0.41649645
   0.18122536  0.53256816  0.58144104
   0.32792421  0.66918683  0.76568715
   0.12292576  0.78507581  0.52624315
   0.36281563  0.99967918  0.78619641
   0.47812606  0.87539940  0.63121949
   0.19654869  0.91323757  0.67976880
   0.28971217  0.68656521 -0.04730076
   0.03309898  0.66593541  0.89808644
   0.60608460  0.07351023  0.11385214
   0.84207207  0.17905229  0.23245878
   0.58287431  0.29309060  0.02897680
   0.86122018  0.45580413  0.36455187
   0.02973059  0.38276484  0.19587733
   0.76567326  0.39767453  0.15208797
   0.71694792  0.15873686  0.40004138
   0.47503978  0.12358317  0.44068244
   0.65723087  0.06745570  0.57388591
   0.87603411  0.21138665  0.80562274
   0.60477103  0.31540181  0.53960721
   0.85287637  0.46786147  0.85717707
   0.97879715  0.47202786  0.67060637
   0.73715515  0.38685268  0.69407795
   0.76450831  0.09986409  0.95079972
   0.50290050  0.10001930  0.93826787
   0.57624315  0.55913807  0.06907342
   0.88804646  0.69001079  0.28434494
   0.61636617  0.82777344  0.04474286
   0.85768817  0.95757134  0.33201131
   0.92966085  0.87031201  0.15622182
   0.67149790  0.84470360  0.21695112
   0.81190194  0.67615783  0.45608308
   0.58825640  0.55818743  0.40992921
   0.63671132  0.58766925  0.58739266
   0.81193317  0.72068949  0.80411449
   0.57893523  0.80428894  0.46405902
   0.91587191  0.94801207  0.83990215
   0.92940338  0.84635038  0.66112562
   0.69121338  0.92999761  0.73849941
   0.78812856  0.64622669  0.98445812
   0.54467032  0.65758900  0.89839779
   0.72964898  0.81531969  0.59945038
   0.49595397  0.83214981  0.42662288
   0.91058338  0.24236077  0.06206772
   0.90606947  0.37185249  0.39461403
   0.34897069  0.09168290  0.59540272
   0.29482683  0.75059206  0.75282879
   0.17471820  1.10853852  0.19586718
   0.25247472  1.10613590  0.03141262
   0.65874305  0.29839024  0.86813599
   0.87712833  0.44102455  0.66997662
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923854    0.306688   -0.129255
    -0.000000    9.935887    0.056671
    -0.000000    0.000000   14.026507
   Si   O    H 
    32    64    10
Direct configuration=  2082
   0.17215264  0.18537593 -0.03170149
   0.35478892  0.08683459  0.37273557
   0.13836686  0.42587955  0.11161331
   0.37884819  0.34926053  0.24174234
   0.08018410  0.15613882  0.48549553
   0.40175380  0.12554598  0.85280262
   0.11330845  0.39837387  0.63062244
   0.37248099  0.36844804  0.75074198
   0.13870751  0.69085765 -0.01406124
   0.43188480  0.57180331  0.36866555
   0.09113191  0.89234555  0.14511528
   0.34975821  0.82144416  0.25157822
   0.18420470  0.63896296  0.48793405
   0.38727489  0.61401680  0.86610144
   0.06884480  0.89017910  0.60416253
   0.35458626  0.97709683  0.66540085
   0.62690548  0.13528535  1.00744172
   0.85233122  0.11816441  0.33658076
   0.60912832  0.40715861  0.11119588
   0.89194164  0.29727623  0.15986338
   0.61611522  0.16315501  0.48805305
   0.90274819  0.09742886  0.88323049
   0.60702806  0.42935095  0.61823583
   0.77108907  0.34440763  0.81074284
   0.63321714  0.67044657 -0.00317194
   0.90918507  0.60837007  0.37900631
   0.57580593  0.91666213  0.13837098
   0.82792377  0.84503287  0.24821346
   0.65750014  0.66020902  0.48615390
   0.87744238  0.62500507  0.88641718
   0.63617430  0.92281603  0.62604107
   0.84414007  0.86485633  0.75985191
   0.09704654  0.05398980  0.17340782
   0.35901082  0.19522698  0.27596797
   0.13148126  0.32717538  0.01462907
   0.35789727  0.43562334  0.33877267
   0.53564275  0.36168809  0.20570578
   0.29064253  0.40139435  0.15509787
   0.21487492  0.11120383  0.42283671
  -0.02112146  0.18514962  0.39297670
   0.03310852  0.02962395  0.55253956
   0.47824847  0.23668261  0.78182966
   0.08704348  0.29212562  0.54489624
   0.36021653  0.45522272  0.84886428
   0.46869229  0.45696980  0.67717820
   0.22088107  0.35165596  0.70316170
   0.25557622  0.20189112 -0.12922921
   0.03490248  0.11485455  0.95132491
   0.10633216  0.56786605  0.06121440
   0.40686050  0.67221923  0.27968209
   0.11311550  0.83489375  0.03575669
   0.36675972  0.92643170  0.34553781
   0.41765715  0.90591206  0.16239453
   0.19271107  0.81375798  0.21730086
   0.33316574  0.63901102  0.44873081
   0.06413990  0.59302174  0.41649176
   0.18116170  0.53367999  0.58126016
   0.32799423  0.66700368  0.76606070
   0.12296880  0.78340422  0.52559798
   0.36229877  1.00002143  0.78687362
   0.47657153  0.87556204  0.63095042
   0.19805876  0.91191642  0.67967695
   0.28926414  0.68489798 -0.04808434
   0.03209303  0.66540689  0.89789432
   0.60589373  0.07403522  0.11431582
   0.84134012  0.17835401  0.23129889
   0.58382661  0.29135480  0.02978330
   0.86210548  0.45489810  0.36483703
   0.02942876  0.38432351  0.19678948
   0.76665619  0.39743237  0.15355201
   0.71583969  0.15803732  0.39926681
   0.47529167  0.12255024  0.44072556
   0.65668090  0.06849062  0.57427023
   0.87814567  0.21069546  0.80594567
   0.60566636  0.31501023  0.54042932
   0.85311417  0.46706286  0.85652620
   0.97867800  0.47141702  0.66911996
   0.73475646  0.38680830  0.69417576
   0.76480727  0.10017637  0.95076421
   0.50277274  0.10082655  0.93827751
   0.57460145  0.56106707  0.06880029
   0.88815338  0.68792722  0.28444819
   0.61695339  0.82688181  0.04472127
   0.85777477  0.95821394  0.33222641
   0.92837845  0.86884930  0.15672825
   0.67051161  0.84568760  0.21712588
   0.81364816  0.67680276  0.45679638
   0.58904367  0.55862598  0.40865806
   0.63666435  0.58690841  0.58713209
   0.81276779  0.72071945  0.80416519
   0.57841910  0.80401906  0.46468535
   0.91520337  0.94654195  0.84173969
   0.93076140  0.84448066  0.66136291
   0.69015116  0.93026324  0.73850715
   0.78885517  0.64616779  0.98469024
   0.54255186  0.65613785  0.89865435
   0.73496502  0.81460769  0.60251656
   0.50006316  0.83385169  0.42704554
   0.91935450  0.23560441  0.06507089
   0.91126213  0.37364111  0.39181283
   0.35731862  0.09205618  0.59777525
   0.29270538  0.76535502  0.75226771
   0.17410558  1.11162846  0.19597310
   0.26064924  1.10206994  0.03033397
   0.65580347  0.29992196  0.87164000
   0.88413330  0.44209569  0.66781728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923705    0.308831   -0.129010
    -0.000000    9.937526    0.055901
    -0.000000    0.000000   14.025580
   Si   O    H 
    32    64    10
Direct configuration=  2083
   0.17267505  0.18418858 -0.03234598
   0.35286365  0.08600060  0.37180399
   0.13864863  0.42633119  0.11147958
   0.37865111  0.35018450  0.24079394
   0.08002687  0.15694880  0.48542504
   0.40135104  0.12513986  0.85288159
   0.11397641  0.39928504  0.63060414
   0.37322462  0.36892639  0.75136674
   0.13983698  0.69197794 -0.01567019
   0.43196146  0.57241484  0.36886034
   0.09126412  0.89285920  0.14551813
   0.35018020  0.82195340  0.25132013
   0.18427106  0.63999692  0.48745411
   0.38627276  0.61341324  0.86663704
   0.06816033  0.88957724  0.60472785
   0.35443459  0.97779854  0.66524790
   0.62708194  0.13471797  1.00786465
   0.85260072  0.11888433  0.33617850
   0.60911233  0.40885967  0.11100619
   0.89298210  0.29695552  0.15959597
   0.61559153  0.16379020  0.48856903
   0.90275941  0.09701747  0.88345850
   0.60703356  0.42913926  0.61785967
   0.77164587  0.34441148  0.81014644
   0.63314892  0.67036437 -0.00261212
   0.91004812  0.60749122  0.37903672
   0.57735475  0.91757147  0.13764505
   0.82850518  0.84583264  0.24891271
   0.65717600  0.66029057  0.48573394
   0.87642123  0.62433543  0.88653036
   0.63628331  0.92212988  0.62528473
   0.84520871  0.86650715  0.75881893
   0.09776618  0.05268398  0.17363474
   0.35859639  0.19662776  0.27618362
   0.13157776  0.32832521  0.01351901
   0.35761150  0.43591177  0.33850891
   0.53470873  0.36170718  0.20588320
   0.29078828  0.40275894  0.15535451
   0.21317080  0.11283119  0.42300162
  -0.02232787  0.18461771  0.39155200
   0.03197874  0.03023635  0.55136786
   0.47906199  0.23671591  0.78201985
   0.08624514  0.29098832  0.54488412
   0.36109039  0.45473669  0.84828057
   0.46967100  0.45378152  0.67610239
   0.22206479  0.35285754  0.70289557
   0.25784247  0.20344175 -0.12877094
   0.03498905  0.11400384  0.95156449
   0.10592608  0.56659970  0.06000877
   0.40746622  0.67347671  0.27925144
   0.11527138  0.83712073  0.03559852
   0.36703615  0.92801572  0.34610758
   0.41866355  0.90501625  0.16263460
   0.19222091  0.81263619  0.21632979
   0.33295466  0.64056914  0.44822339
   0.06432035  0.59258021  0.41686424
   0.18055539  0.53555106  0.58080301
   0.32797627  0.66565299  0.76584327
   0.12282708  0.78194505  0.52492539
   0.36155004  0.99989709  0.78683285
   0.47543762  0.87658637  0.63058636
   0.19947695  0.91057961  0.67944936
   0.28955505  0.68326481 -0.04838816
   0.03128452  0.66481831  0.89784261
   0.60649807  0.07417978  0.11483976
   0.84050016  0.17811312  0.23005178
   0.58470603  0.28984131  0.03087804
   0.86322911  0.45396720  0.36514310
   0.02874781  0.38545746  0.19731190
   0.76713515  0.39734624  0.15425460
   0.71533072  0.15775176  0.39833454
   0.47561978  0.12199869  0.44092219
   0.65518099  0.06964740  0.57502167
   0.88008151  0.21111835  0.80574597
   0.60581106  0.31448913  0.54075668
   0.85351672  0.46761702  0.85618144
   0.97856261  0.47020985  0.66766739
   0.73270409  0.38643900  0.69498499
   0.76455451  0.10105870  0.95057381
   0.50296789  0.10030961  0.93819261
   0.57263256  0.56186753  0.06922017
   0.88841185  0.68691605  0.28349853
   0.61731139  0.82563019  0.04508411
   0.85772688  0.95831245  0.33270392
   0.92787971  0.86750351  0.15748722
   0.66993464  0.84656745  0.21761290
   0.81460281  0.67705652  0.45805931
   0.58911834  0.55859667  0.40715287
   0.63669642  0.58529302  0.58766176
   0.81354647  0.72092957  0.80392759
   0.57888973  0.80354957  0.46532588
   0.91494008  0.94543814  0.84357913
   0.93229469  0.84304543  0.66142130
   0.68947958  0.93058235  0.73887911
   0.79038511  0.64630329  0.98430592
   0.54027654  0.65494439  0.89853563
   0.73783964  0.81616781  0.60062112
   0.50491769  0.83253025  0.42596605
   0.92676804  0.23222057  0.06876400
   0.91556000  0.37943557  0.38603073
   0.36520537  0.09157770  0.59876389
   0.29347189  0.76471177  0.75289610
   0.16747017  1.10772433  0.19416183
   0.27064230  1.10003937  0.02919141
   0.65494383  0.30300649  0.87271834
   0.89058772  0.44545847  0.66543255
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923449    0.310945   -0.128512
    -0.000000    9.939020    0.055281
    -0.000000    0.000000   14.024617
   Si   O    H 
    32    64    10
Direct configuration=  2084
   0.17294507  0.18263349 -0.03237104
   0.35123255  0.08474043  0.37076613
   0.13875610  0.42617769  0.11113228
   0.37904786  0.35110774  0.24001207
   0.07993831  0.15769382  0.48518591
   0.40106798  0.12468284  0.85274721
   0.11388219  0.40081926  0.63002695
   0.37360500  0.36962959  0.75175754
   0.14048604  0.69277301 -0.01658690
   0.43195777  0.57270849  0.36911111
   0.09156195  0.89407780  0.14587124
   0.35045453  0.82265524  0.25093982
   0.18434576  0.64064975  0.48735144
   0.38526693  0.61325047  0.86697203
   0.06755875  0.88882108  0.60518812
   0.35379967  0.97829984  0.66494965
   0.62707588  0.13402420  1.00771046
   0.85240091  0.11957265  0.33658203
   0.60943418  0.40972946  0.11086009
   0.89387544  0.29686401  0.15936696
   0.61548837  0.16457653  0.48854166
   0.90238867  0.09620727  0.88396571
   0.60713053  0.42871635  0.61781905
   0.77180381  0.34406790  0.80934015
   0.63224653  0.67007673 -0.00167799
   0.91119309  0.60612305  0.37924395
   0.57813668  0.91817847  0.13714035
   0.82942167  0.84551782  0.24957658
   0.65639012  0.66008839  0.48503131
   0.87555165  0.62356969  0.88662854
   0.63597569  0.92141834  0.62462770
   0.84553162  0.86817233  0.75766037
   0.09837108  0.05112500  0.17360521
   0.35785237  0.19772404  0.27647453
   0.13128683  0.32852099  0.01273404
   0.35688192  0.43625465  0.33850804
   0.53381497  0.36169347  0.20580119
   0.29095346  0.40430927  0.15573336
   0.21135135  0.11477880  0.42365524
  -0.02290355  0.18328858  0.39099734
   0.03033122  0.03173497  0.55035649
   0.47928879  0.23674868  0.78220876
   0.08564839  0.29010654  0.54503148
   0.36240807  0.45556706  0.84864515
   0.46985888  0.45062812  0.67555268
   0.22396225  0.35450177  0.70277691
   0.25912528  0.20474339 -0.12895303
   0.03429940  0.11247489  0.95160338
   0.10529422  0.56622909  0.05919954
   0.40755909  0.67549536  0.27856306
   0.11617446  0.83871442  0.03568487
   0.36618075  0.92871302  0.34601400
   0.41912988  0.90441408  0.16289492
   0.19243554  0.81136225  0.21579310
   0.33269735  0.64231910  0.44813949
   0.06497497  0.59164262  0.41717102
   0.17955838  0.53751894  0.57982842
   0.32853142  0.66526596  0.76568470
   0.12257406  0.78163586  0.52437759
   0.36045374  0.99935089  0.78645857
   0.47468738  0.87747680  0.62988968
   0.20125267  0.90938240  0.67910073
   0.29103119  0.68199313 -0.04859872
   0.03102831  0.66388753  0.89768076
   0.60788127  0.07422060  0.11538530
   0.83983221  0.17749135  0.22916000
   0.58613846  0.28854652  0.03178372
   0.86376315  0.45311089  0.36490562
   0.02874839  0.38652978  0.19740695
   0.76680553  0.39730454  0.15501015
   0.71535060  0.15699547  0.39763859
   0.47529604  0.12098726  0.44072460
   0.65330914  0.06983937  0.57607910
   0.88179812  0.21208491  0.80542756
   0.60552734  0.31424088  0.54081922
   0.85422986  0.46790188  0.85507600
   0.97936382  0.46941591  0.66604852
   0.73175674  0.38546527  0.69581630
   0.76486178  0.10101954  0.95081949
   0.50215238  0.09940268  0.93865096
   0.57037844  0.56137209  0.06991048
   0.88751402  0.68649523  0.28219663
   0.61785296  0.82383872  0.04533655
   0.85776987  0.95754496  0.33298291
   0.92696078  0.86643029  0.15875733
   0.66968118  0.84734813  0.21848016
   0.81554454  0.67744556  0.45883216
   0.58904430  0.55887794  0.40597972
   0.63673053  0.58372315  0.58820807
   0.81441837  0.72128266  0.80451329
   0.57991434  0.80396442  0.46627848
   0.91523389  0.94551166  0.84512907
   0.93463835  0.84127056  0.66157951
   0.68926394  0.93093765  0.73936476
   0.79154400  0.64714250  0.98342756
   0.53879539  0.65391280  0.89860020
   0.73838523  0.81724620  0.59970278
   0.50468596  0.83077011  0.42486761
   0.93431812  0.23123396  0.07221322
   0.92410342  0.38051621  0.38238225
   0.36766753  0.09481077  0.59994764
   0.29554749  0.75751941  0.75772219
   0.16849412  1.10880688  0.19319419
   0.27835511  1.09735697  0.02804441
   0.65816549  0.31133017  0.86877345
   0.88369872  0.44180919  0.66396899
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923422    0.313153   -0.128031
    -0.000000    9.940731    0.054633
    -0.000000    0.000000   14.023602
   Si   O    H 
    32    64    10
Direct configuration=  2085
   0.17342710  0.18083168 -0.03218078
   0.34960528  0.08369612  0.36952116
   0.13913501  0.42558754  0.11087061
   0.37969398  0.35167699  0.23952858
   0.07982406  0.15906360  0.48487390
   0.40066531  0.12470980  0.85231246
   0.11383308  0.40257091  0.62893128
   0.37435911  0.37039263  0.75188938
   0.14091589  0.69359546 -0.01720942
   0.43193130  0.57358447  0.36939352
   0.09181841  0.89492999  0.14652716
   0.35004073  0.82356240  0.25072517
   0.18389791  0.64140212  0.48751844
   0.38405968  0.61323274  0.86715382
   0.06715502  0.88856263  0.60551352
   0.35306586  0.97907092  0.66510969
   0.62678171  0.13352593  1.00723093
   0.85219530  0.12069016  0.33685816
   0.60972247  0.41018741  0.11116516
   0.89510220  0.29707008  0.15960102
   0.61578470  0.16628886  0.48821166
   0.90174442  0.09482670  0.88460039
   0.60817936  0.42850300  0.61776861
   0.77206404  0.34398450  0.80843465
   0.63157799  0.66979130 -0.00058361
   0.91209175  0.60484601  0.37956425
   0.57842518  0.91790921  0.13623465
   0.83016237  0.84557040  0.25018492
   0.65546170  0.65940011  0.48433824
   0.87458826  0.62217129  0.88665446
   0.63532355  0.92038924  0.62432106
   0.84547242  0.87007279  0.75701738
   0.09871916  0.05051971  0.17252236
   0.35721594  0.19810702  0.27683314
   0.13155462  0.32934141  0.01207812
   0.35590430  0.43633810  0.33873961
   0.53295811  0.36188036  0.20632847
   0.29041306  0.40669286  0.15586737
   0.20969233  0.11648128  0.42472531
  -0.02268775  0.18189225  0.39049978
   0.02835304  0.03342274  0.54964631
   0.47903572  0.23707263  0.78141885
   0.08488679  0.28999808  0.54504099
   0.36290349  0.45697909  0.84900581
   0.46948454  0.44721503  0.67553926
   0.22649593  0.35471255  0.70268762
   0.26013918  0.20572426 -0.12890134
   0.03347640  0.11107226  0.95144664
   0.10511905  0.56658772  0.05851039
   0.40745721  0.67737600  0.27750917
   0.11694866  0.84002059  0.03596553
   0.36495570  0.92785540  0.34522425
   0.42040218  0.90290780  0.16362093
   0.19315285  0.80993602  0.21597133
   0.33281753  0.64400776  0.44788034
   0.06518800  0.59138921  0.41762690
   0.17802343  0.53888026  0.57907139
   0.32898428  0.66590898  0.76560758
   0.12195469  0.78140371  0.52376679
   0.35960598  0.99875032  0.78600895
   0.47427397  0.87857098  0.62897676
   0.20178296  0.90976967  0.67830583
   0.29236775  0.68040480 -0.04908463
   0.03069844  0.66371571  0.89782360
   0.61034189  0.07365780  0.11554675
   0.83982676  0.17694861  0.22806836
   0.58782785  0.28819425  0.03301327
   0.86367896  0.45173616  0.36461196
   0.02842553  0.38825454  0.19740820
   0.76576424  0.39792027  0.15580187
   0.71510225  0.15668649  0.39691617
   0.47448420  0.12007083  0.44007296
   0.65194482  0.06875809  0.57683138
   0.88288635  0.21360708  0.80528089
   0.60556402  0.31412261  0.54112899
   0.85507332  0.46795155  0.85333427
   0.97967314  0.46881241  0.66488314
   0.73083978  0.38493588  0.69632584
   0.76551911  0.10105220  0.95091976
   0.50145534  0.09824659  0.93930753
   0.56758345  0.56011322  0.07084006
   0.88718650  0.68712923  0.28052815
   0.61792201  0.82311830  0.04497023
   0.85760936  0.95703163  0.33328729
   0.92575720  0.86573645  0.15914835
   0.66920778  0.84799945  0.21917212
   0.81623244  0.67725006  0.45955060
   0.58847699  0.55978251  0.40441557
   0.63668048  0.58287742  0.58892635
   0.81546956  0.72132402  0.80471945
   0.58132014  0.80491347  0.46739501
   0.91567862  0.94534312  0.84632380
   0.93742500  0.83939380  0.66213344
   0.68947055  0.93133390  0.73976253
   0.79311064  0.64802035  0.98331258
   0.53775426  0.65293200  0.89856028
   0.73799141  0.82109740  0.59852463
   0.50469922  0.82690253  0.42458493
   0.94010935  0.22994397  0.07206614
   0.93595977  0.38315797  0.37969241
   0.36667137  0.09668358  0.60396687
   0.29757180  0.75031626  0.76065702
   0.16897363  1.10987453  0.19379861
   0.28039715  1.09789395  0.02563852
   0.65667745  0.31918018  0.86581228
   0.87809403  0.44030038  0.66428222
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923851    0.315712   -0.127532
    -0.000000    9.942257    0.053991
    -0.000000    0.000000   14.022611
   Si   O    H 
    32    64    10
Direct configuration=  2086
   0.17424059  0.17910703 -0.03185029
   0.34837379  0.08306141  0.36844352
   0.13942645  0.42535593  0.11082920
   0.38058479  0.35171210  0.23937544
   0.07922205  0.16098604  0.48461130
   0.39987007  0.12478695  0.85153857
   0.11393935  0.40445239  0.62772746
   0.37520189  0.37128758  0.75172895
   0.14132463  0.69441409 -0.01746881
   0.43203458  0.57449386  0.36937681
   0.09094448  0.89569252  0.14689231
   0.34960835  0.82442832  0.25070330
   0.18281886  0.64199129  0.48825599
   0.38305086  0.61347887  0.86748038
   0.06691098  0.88841661  0.60572267
   0.35231313  0.97965955  0.66528598
   0.62661149  0.13256231  1.00647754
   0.85166193  0.12164691  0.33701162
   0.61039757  0.41028752  0.11172548
   0.89600820  0.29710490  0.15976457
   0.61606634  0.16780811  0.48794187
   0.90125804  0.09388966  0.88544631
   0.60949701  0.42812513  0.61829207
   0.77315608  0.34452665  0.80709210
   0.63091503  0.66939870  0.00006730
   0.91265974  0.60374517  0.37999327
   0.57919730  0.91710990  0.13606375
   0.83127630  0.84556031  0.25047834
   0.65450195  0.65837016  0.48359073
   0.87338799  0.62083913  0.88662806
   0.63496284  0.91856537  0.62425718
   0.84551540  0.87159165  0.75639803
   0.09882085  0.05062913  0.17170106
   0.35662416  0.19846109  0.27696512
   0.13096618  0.33046185  0.01164643
   0.35497958  0.43592341  0.33914111
   0.53262979  0.36155003  0.20697409
   0.28849137  0.40870029  0.15604451
   0.20879474  0.11751944  0.42581421
  -0.02223836  0.18115701  0.39010509
   0.02753226  0.03387160  0.54906154
   0.47786874  0.23731043  0.78035255
   0.08374611  0.29041083  0.54529370
   0.36325459  0.45732265  0.84957042
   0.46847467  0.44362950  0.67616692
   0.22870715  0.35526396  0.70372123
   0.26080091  0.20658151 -0.12895906
   0.03244247  0.10939354  0.95104022
   0.10437068  0.56646156  0.05839079
   0.40705795  0.67893268  0.27705989
   0.11778126  0.84120910  0.03634147
   0.36432299  0.92681604  0.34365210
   0.42141484  0.90207656  0.16412827
   0.19325308  0.80840694  0.21636926
   0.33355859  0.64502465  0.44676661
   0.06557948  0.59145845  0.41794679
   0.17706933  0.53929758  0.57817733
   0.33049900  0.66534808  0.76515212
   0.12034195  0.78198745  0.52309597
   0.35868245  0.99736061  0.78512449
   0.47367310  0.87934521  0.62856620
   0.20248742  0.90967634  0.67726480
   0.29299303  0.67914378 -0.04975508
   0.02942016  0.66355156  0.89756110
   0.61277577  0.07279450  0.11481238
   0.84007440  0.17585484  0.22711547
   0.58956292  0.28850876  0.03399715
   0.86402791  0.45073508  0.36445275
   0.02779060  0.38886512  0.19672164
   0.76495428  0.39903692  0.15673512
   0.71533268  0.15573670  0.39614389
   0.47372381  0.11939031  0.43950209
   0.65098513  0.06745167  0.57748895
   0.88412434  0.21600190  0.80454930
   0.60595080  0.31349598  0.54127617
   0.85586850  0.46691365  0.85141628
   0.97868253  0.46863661  0.66371815
   0.73034841  0.38435428  0.69701506
   0.76511985  0.10105751  0.95079369
   0.50088687  0.09795018  0.94007717
   0.56576577  0.55852108  0.07203308
   0.88660879  0.68750001  0.27883661
   0.61765181  0.82240621  0.04387044
   0.85733112  0.95730130  0.33333580
   0.92559891  0.86556670  0.15968306
   0.67000010  0.84884361  0.22000526
   0.81633188  0.67695608  0.46012037
   0.58719388  0.56112079  0.40258207
   0.63672339  0.58176628  0.58891088
   0.81612654  0.72118455  0.80475155
   0.58275615  0.80614660  0.46819090
   0.91741855  0.94556682  0.84698402
   0.93921732  0.83781032  0.66278859
   0.68941703  0.93178703  0.73932342
   0.79405800  0.64882978  0.98340625
   0.53739142  0.65274057  0.89911021
   0.73568422  0.82315066  0.59740309
   0.50500665  0.82419557  0.42480129
   0.94551924  0.22727546  0.07287414
   0.94532526  0.38363775  0.37740127
   0.36028798  0.09831301  0.60504875
   0.29266704  0.76639270  0.76265788
   0.16604696  1.10500742  0.19347219
   0.28097438  1.09719605  0.02351470
   0.65651505  0.32901166  0.86310791
   0.88538329  0.43969945  0.66607992
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923920    0.318963   -0.126893
    -0.000000    9.943507    0.053116
    -0.000000    0.000000   14.021951
   Si   O    H 
    32    64    10
Direct configuration=  2087
   0.17536833  0.17719706 -0.03115272
   0.34766036  0.08348675  0.36731194
   0.13904207  0.42482799  0.11057218
   0.38103061  0.35167489  0.23989929
   0.07858808  0.16237769  0.48404287
   0.39907338  0.12488604  0.85068501
   0.11438347  0.40637482  0.62629688
   0.37676300  0.37206458  0.75166694
   0.14124446  0.69515274 -0.01748272
   0.43187264  0.57522323  0.36929347
   0.08982667  0.89617541  0.14709856
   0.34913066  0.82532158  0.25081949
   0.18217726  0.64209816  0.48906222
   0.38253803  0.61373233  0.86774503
   0.06699087  0.88869699  0.60569836
   0.35157354  0.98021007  0.66570675
   0.62595089  0.13140127  1.00566419
   0.85163303  0.12186628  0.33709217
   0.61128150  0.40972849  0.11227847
   0.89749467  0.29756914  0.16017721
   0.61618679  0.16899931  0.48776261
   0.90105732  0.09266470  0.88605242
   0.61029904  0.42754810  0.61897874
   0.77491449  0.34486237  0.80582033
   0.63017428  0.66851582  0.00069409
   0.91262827  0.60350278  0.38013338
   0.57950962  0.91674770  0.13592062
   0.83297101  0.84522940  0.25040090
   0.65435295  0.65716142  0.48273726
   0.87272471  0.61973540  0.88648688
   0.63504174  0.91677535  0.62493226
   0.84481383  0.87250541  0.75598245
   0.09809612  0.05043266  0.17086456
   0.35580039  0.19787830  0.27642673
   0.13020356  0.33081489  0.01126700
   0.35384624  0.43525245  0.33971641
   0.53321064  0.36194960  0.20676378
   0.28676719  0.41049528  0.15611905
   0.20823419  0.11743399  0.42668323
  -0.02090165  0.18142808  0.38965353
   0.02762709  0.03479919  0.54832630
   0.47647781  0.23745911  0.77911772
   0.08256996  0.29118431  0.54543117
   0.36351845  0.45757360  0.84981544
   0.46787240  0.44006851  0.67650063
   0.23094787  0.35473147  0.70454801
   0.26139064  0.20788306 -0.12879860
   0.03192558  0.10720335  0.95080017
   0.10489482  0.56703576  0.05864817
   0.40717729  0.68014952  0.27696903
   0.11781221  0.84289176  0.03626845
   0.36324640  0.92566856  0.34261841
   0.42359807  0.90149256  0.16438691
   0.19341095  0.80724708  0.21694228
   0.33379348  0.64704276  0.44593780
   0.06670449  0.59139926  0.41829646
   0.17673541  0.53911228  0.57757894
   0.33183197  0.66552485  0.76454533
   0.11911762  0.78308480  0.52283690
   0.35830903  0.99538167  0.78436550
   0.47323193  0.87958318  0.62830114
   0.20286113  0.90915596  0.67625189
   0.29368862  0.67823138 -0.05024747
   0.02897648  0.66346203  0.89745810
   0.61364507  0.07127412  0.11379997
   0.84061426  0.17443463  0.22597008
   0.59141757  0.29006998  0.03461693
   0.86498152  0.44910405  0.36426463
   0.02691644  0.38837981  0.19595181
   0.76422014  0.40057248  0.15669139
   0.71544942  0.15446576  0.39561704
   0.47345982  0.11954152  0.43918619
   0.65077737  0.06561086  0.57810017
   0.88504786  0.21826812  0.80329343
   0.60638926  0.31195646  0.54174783
   0.85696113  0.46575064  0.84980627
   0.97688438  0.46868141  0.66278278
   0.73100879  0.38408652  0.69764880
   0.76502299  0.10106555  0.95073014
   0.50038768  0.09720703  0.94097884
   0.56498320  0.55725672  0.07284129
   0.88634007  0.68869188  0.27770353
   0.61738965  0.82119369  0.04273668
   0.85710511  0.95683268  0.33312489
   0.92553435  0.86520269  0.16016149
   0.67070817  0.85012217  0.22127473
   0.81558717  0.67637644  0.46120263
   0.58709129  0.56260684  0.40087184
   0.63655803  0.58111371  0.58856994
   0.81668911  0.72168682  0.80454264
   0.58311493  0.80704677  0.46938986
   0.91917769  0.94525079  0.84693869
   0.94157145  0.83651016  0.66362946
   0.68839647  0.93249810  0.73858024
   0.79467149  0.64989799  0.98364044
   0.53778400  0.65250707  0.89932218
   0.73314182  0.82271532  0.59380216
   0.50573016  0.81825088  0.42633785
   0.94727886  0.22633334  0.07399551
   0.94650880  0.38797789  0.37156814
   0.35037977  0.09521257  0.60701453
   0.29023086  0.76864536  0.76215633
   0.16885937  1.10493184  0.19426372
   0.27652858  1.09808249  0.02088412
   0.65627337  0.33848190  0.86393561
   0.89526115  0.43952499  0.66693637
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923810    0.322121   -0.126469
    -0.000000    9.944843    0.052130
    -0.000000    0.000000   14.020902
   Si   O    H 
    32    64    10
Direct configuration=  2088
   0.17683788  0.17588134 -0.03031532
   0.34737852  0.08362552  0.36671496
   0.13805531  0.42438621  0.10991728
   0.38119161  0.35143559  0.24091713
   0.07742005  0.16309261  0.48374198
   0.39860686  0.12504822  0.84974842
   0.11507339  0.40835335  0.62518998
   0.37833255  0.37230933  0.75131827
   0.14041919  0.69561949 -0.01742147
   0.43077995  0.57606369  0.36901392
   0.08833121  0.89644672  0.14734438
   0.34776824  0.82597239  0.25110145
   0.18081051  0.64197848  0.49004998
   0.38246397  0.61376231  0.86766769
   0.06723734  0.88824791  0.60535289
   0.35075637  0.98026718  0.66616587
   0.62539676  0.13024903  1.00503453
   0.85108559  0.12190830  0.33749244
   0.61225461  0.40844773  0.11273095
   0.89847215  0.29821430  0.16083308
   0.61635687  0.17000785  0.48760861
   0.90108302  0.09195604  0.88684161
   0.61151358  0.42743427  0.61956380
   0.77696056  0.34489791  0.80415931
   0.62932165  0.66790315  0.00076766
   0.91208471  0.60337210  0.38051613
   0.58004066  0.91624140  0.13614770
   0.83414310  0.84452709  0.24999045
   0.65433694  0.65662113  0.48206312
   0.87139710  0.61897102  0.88625104
   0.63499349  0.91577441  0.62556389
   0.84397386  0.87265746  0.75547733
   0.09759635  0.05108203  0.17022734
   0.35457289  0.19703689  0.27555172
   0.13015337  0.33012599  0.01118955
   0.35327601  0.43524887  0.34017440
   0.53360005  0.36257403  0.20693410
   0.28411906  0.41252279  0.15643165
   0.20715993  0.11680403  0.42725305
  -0.01915242  0.18250566  0.38910202
   0.02809425  0.03510879  0.54726849
   0.47379454  0.23773528  0.77718927
   0.08149627  0.29197355  0.54502388
   0.36390667  0.45733168  0.85047724
   0.46788560  0.43664899  0.67670753
   0.23290634  0.35494718  0.70525022
   0.26165599  0.20954001 -0.12833233
   0.03169655  0.10544605  0.95088941
   0.10611922  0.56863339  0.05941600
   0.40717023  0.68059428  0.27759005
   0.11786327  0.84446993  0.03601405
   0.36264304  0.92484575  0.34208963
   0.42463980  0.90097866  0.16447059
   0.19373036  0.80682081  0.21744790
   0.33396856  0.64900018  0.44510292
   0.06900311  0.59110372  0.41822813
   0.17734119  0.53887974  0.57723004
   0.33277995  0.66657405  0.76429754
   0.11741425  0.78516710  0.52271375
   0.35850134  0.99446546  0.78339120
   0.47260667  0.88001913  0.62833844
   0.20242992  0.90940067  0.67513457
   0.29409672  0.67713137 -0.04988454
   0.02972017  0.66421781  0.89734652
   0.61458720  0.07029579  0.11296382
   0.84111231  0.17435296  0.22518596
   0.59264537  0.29121835  0.03423996
   0.86555625  0.44707313  0.36416071
   0.02615152  0.38794174  0.19499250
   0.76349702  0.40194731  0.15605214
   0.71572038  0.15278147  0.39608395
   0.47259275  0.11962512  0.43847280
   0.65055851  0.06456436  0.57876598
   0.88576463  0.21950329  0.80230060
   0.60681456  0.31072828  0.54150764
   0.85825230  0.46483246  0.84853380
   0.97667514  0.46890042  0.66201028
   0.73199347  0.38366821  0.69857821
   0.76541192  0.10045810  0.95072763
   0.49877163  0.09672388  0.94159651
   0.56447855  0.55610751  0.07290212
   0.88545454  0.68971137  0.27659374
   0.61690964  0.81976647  0.04122132
   0.85690592  0.95624116  0.33331226
   0.92647302  0.86449704  0.16076540
   0.67217354  0.85070451  0.22240400
   0.81439203  0.67583739  0.46220042
   0.58756332  0.56362519  0.39937595
   0.63625670  0.58120342  0.58826130
   0.81721610  0.72285120  0.80371143
   0.58406352  0.80771490  0.47068583
   0.92146898  0.94470103  0.84659072
   0.94448530  0.83501234  0.66426504
   0.68836712  0.93316626  0.73804968
   0.79417493  0.65112575  0.98393808
   0.53786658  0.65151702  0.90016278
   0.73584512  0.81690086  0.59040348
   0.50716189  0.81412187  0.42910490
   0.95027158  0.22349672  0.07529274
   0.94422517  0.39379253  0.36882397
   0.34017200  0.09657204  0.60540070
   0.29201028  0.75697896  0.76313319
   0.17372562  1.10604365  0.19811342
   0.27107581  1.09674067  0.02086024
   0.65386566  0.34525430  0.86649269
   0.88190992  0.42779881  0.66939126
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923528    0.325561   -0.125957
    -0.000000    9.945489    0.051225
    -0.000000    0.000000   14.019685
   Si   O    H 
    32    64    10
Direct configuration=  2089
   0.17781791  0.17551597 -0.02955831
   0.34707887  0.08362504  0.36588161
   0.13695902  0.42426103  0.10925027
   0.38105920  0.35004285  0.24179950
   0.07640285  0.16304004  0.48390281
   0.39860851  0.12602663  0.84878287
   0.11579961  0.40987843  0.62385776
   0.38000360  0.37233096  0.75160648
   0.13857799  0.69588860 -0.01732660
   0.42979250  0.57676632  0.36848732
   0.08702947  0.89581146  0.14760638
   0.34615762  0.82673701  0.25124304
   0.17969782  0.64170610  0.49088493
   0.38266451  0.61390978  0.86736852
   0.06795751  0.88755633  0.60455322
   0.35000127  0.97983256  0.66663134
   0.62483945  0.12992396  1.00480596
   0.84987112  0.12138195  0.33775878
   0.61326196  0.40676621  0.11345627
   0.89879729  0.29856932  0.16129556
   0.61658072  0.17042387  0.48755093
   0.90143594  0.09194322  0.88727027
   0.61229595  0.42719024  0.62004062
   0.77900151  0.34475286  0.80300545
   0.62818832  0.66694019  0.00011102
   0.91129505  0.60281360  0.38033509
   0.58086497  0.91485447  0.13636969
   0.83538593  0.84348990  0.24994540
   0.65476100  0.65646759  0.48171251
   0.86994710  0.61799804  0.88598624
   0.63461899  0.91494203  0.62590674
   0.84333156  0.87175824  0.75512140
   0.09789958  0.05222298  0.16947713
   0.35258987  0.19633683  0.27458880
   0.12993845  0.32957624  0.01061323
   0.35270906  0.43505814  0.34062447
   0.53417675  0.36372221  0.20681403
   0.28269791  0.41474881  0.15679898
   0.20704764  0.11603305  0.42732320
  -0.01744079  0.18341966  0.38911140
   0.02905780  0.03518854  0.54630276
   0.47166017  0.23767355  0.77607022
   0.08219712  0.29304800  0.54471427
   0.36469440  0.45698921  0.85079335
   0.46816781  0.43396689  0.67634432
   0.23407508  0.35575815  0.70526343
   0.26153964  0.21117532 -0.12749743
   0.03242648  0.10383848  0.95077384
   0.10728144  0.56992675  0.06008905
   0.40766826  0.68139548  0.27815692
   0.11793673  0.84466901  0.03560488
   0.36134697  0.92384284  0.34106454
   0.42558374  0.90068430  0.16453704
   0.19458038  0.80713305  0.21836022
   0.33402526  0.65098405  0.44439525
   0.07102419  0.59137370  0.41819378
   0.17799460  0.53876072  0.57647626
   0.33416170  0.66782769  0.76373947
   0.11545650  0.78762307  0.52254927
   0.35910909  0.99369581  0.78239660
   0.47242342  0.88116459  0.62789197
   0.20205591  0.90936451  0.67439673
   0.29405373  0.67680101 -0.04937584
   0.03068303  0.66488425  0.89756436
   0.61598300  0.06912654  0.11198478
   0.84179558  0.17377237  0.22457840
   0.59430254  0.29195899  0.03379486
   0.86512068  0.44527626  0.36349248
   0.02611573  0.38760464  0.19384305
   0.76378437  0.40245525  0.15526544
   0.71581501  0.15208608  0.39685070
   0.47137377  0.11950645  0.43792273
   0.65089740  0.06378675  0.57940426
   0.88619868  0.22014666  0.80111291
   0.60751265  0.30895483  0.54173003
   0.85973795  0.46514506  0.84813373
   0.97650774  0.46878358  0.66193887
   0.73273938  0.38336692  0.69937978
   0.76607016  0.10007578  0.95166458
   0.49683592  0.09540831  0.94141614
   0.56374097  0.55446818  0.07282706
   0.88480941  0.69081354  0.27634453
   0.61637400  0.81883745  0.03952503
   0.85736432  0.95510409  0.33368540
   0.92730115  0.86378165  0.16136387
   0.67321088  0.85047275  0.22344891
   0.81398127  0.67503486  0.46345916
   0.58756809  0.56436755  0.39822969
   0.63600594  0.58145112  0.58677367
   0.81810444  0.72409661  0.80304870
   0.58526900  0.80806886  0.47208202
   0.92367779  0.94365205  0.84682376
   0.94722296  0.83429346  0.66508174
   0.68915043  0.93351383  0.73730458
   0.79375204  0.65254217  0.98403106
   0.53801466  0.65130916  0.90051949
   0.73637318  0.81412572  0.58798939
   0.50751569  0.81101729  0.42935389
   0.94922126  0.22073600  0.07634882
   0.94726460  0.38626275  0.36769286
   0.33114940  0.09839848  0.60512396
   0.29390303  0.74931851  0.76122550
   0.17170165  1.10163276  0.19968253
   0.26885129  1.09392004  0.02554619
   0.65450580  0.35008278  0.86361649
   0.87546950  0.42055455  0.67252527
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923350    0.329395   -0.125397
    -0.000000    9.945853    0.050131
    -0.000000    0.000000   14.018337
   Si   O    H 
    32    64    10
Direct configuration=  2090
   0.17850380  0.17557516 -0.02946370
   0.34708793  0.08392939  0.36514925
   0.13564034  0.42398217  0.10841101
   0.38073670  0.34961182  0.24285016
   0.07495227  0.16278184  0.48434480
   0.39884138  0.12613864  0.84769137
   0.11622290  0.41137604  0.62270809
   0.38106660  0.37272132  0.75177927
   0.13685738  0.69588607 -0.01669948
   0.42879917  0.57768830  0.36773543
   0.08595651  0.89514204  0.14758084
   0.34473444  0.82708628  0.25156918
   0.17874901  0.64171338  0.49176807
   0.38313225  0.61410329  0.86708034
   0.06848246  0.88698733  0.60356149
   0.34912478  0.97978846  0.66705203
   0.62389386  0.12968389  1.00445494
   0.84855782  0.12032068  0.33790203
   0.61462692  0.40494248  0.11459164
   0.89890690  0.29907245  0.16196901
   0.61640533  0.17008597  0.48775974
   0.90149756  0.09192497  0.88721236
   0.61331734  0.42688032  0.62006591
   0.78159194  0.34474435  0.80246669
   0.62723415  0.66586591 -0.00029315
   0.91038564  0.60232353  0.37957768
   0.58157329  0.91370494  0.13642023
   0.83607213  0.84233145  0.24966973
   0.65538483  0.65594542  0.48121493
   0.86950678  0.61767627  0.88594249
   0.63416227  0.91421517  0.62566354
   0.84282159  0.87097384  0.75500176
   0.09803818  0.05327245  0.16914052
   0.34995223  0.19553976  0.27398957
   0.13025050  0.32801632  0.01027002
   0.35273593  0.43512808  0.34101175
   0.53441463  0.36450963  0.20693774
   0.28249677  0.41684938  0.15726438
   0.20682789  0.11544038  0.42647173
  -0.01657715  0.18367312  0.38845891
   0.02962576  0.03517165  0.54576133
   0.46917121  0.23707113  0.77539672
   0.08332564  0.29462661  0.54427797
   0.36538150  0.45635466  0.85131161
   0.46909887  0.43144667  0.67499818
   0.23478343  0.35647543  0.70558739
   0.26152997  0.21253600 -0.12677678
   0.03352196  0.10292668  0.95028544
   0.10772285  0.57126320  0.06110014
   0.40884311  0.68234713  0.27876328
   0.11808414  0.84407626  0.03515371
   0.35973999  0.92349219  0.34072006
   0.42620066  0.90069410  0.16452324
   0.19519865  0.80700976  0.21895321
   0.33444574  0.65303191  0.44376433
   0.07211321  0.59081578  0.41734506
   0.17813690  0.53917825  0.57653691
   0.33602725  0.66799473  0.76316411
   0.11438830  0.79003729  0.52207811
   0.36026715  0.99415886  0.78225295
   0.47214369  0.88138959  0.62842367
   0.20096278  0.91009540  0.67342492
   0.29408962  0.67730913 -0.04822893
   0.03121085  0.66585193  0.89814556
   0.61618726  0.06833928  0.11115524
   0.84245512  0.17322657  0.22402562
   0.59564269  0.29192225  0.03369703
   0.86430833  0.44314778  0.36277183
   0.02670399  0.38791273  0.19299240
   0.76445583  0.40288229  0.15373686
   0.71508822  0.15202910  0.39819458
   0.47103591  0.11968975  0.43703636
   0.65081510  0.06281113  0.57940766
   0.88663269  0.21947628  0.80010169
   0.60782446  0.30792514  0.54154307
   0.86172531  0.46593239  0.84780875
   0.97556398  0.46786099  0.66236417
   0.73333914  0.38325889  0.69921814
   0.76544458  0.09985946  0.95157114
   0.49448193  0.09384893  0.94025144
   0.56442765  0.55316143  0.07279312
   0.88436297  0.69153186  0.27670026
   0.61595777  0.81830995  0.03882310
   0.85890095  0.95386788  0.33369404
   0.92883924  0.86416143  0.16144255
   0.67440184  0.85065921  0.22392618
   0.81424002  0.67378236  0.46434669
   0.58764254  0.56432596  0.39748809
   0.63532068  0.58213729  0.58495451
   0.81877101  0.72555894  0.80256144
   0.58597149  0.80736406  0.47325699
   0.92480381  0.94339089  0.84657078
   0.94908325  0.83424248  0.66526692
   0.68956463  0.93308487  0.73586530
   0.79267332  0.65408688  0.98384623
   0.53795850  0.65196944  0.90095475
   0.73453160  0.81019235  0.58729987
   0.50273314  0.81107620  0.42892317
   0.94503774  0.21976850  0.07831892
   0.94596986  0.37867166  0.36640512
   0.32416110  0.10475885  0.60476280
   0.28476522  0.76562985  0.75578565
   0.16558975  1.09434806  0.20143861
   0.26652066  1.09085566  0.03106883
   0.65463689  0.35242673  0.85948603
   0.88292846  0.41897959  0.67142773
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923180    0.333397   -0.125004
    -0.000000    9.946096    0.049821
    -0.000000    0.000000   14.017192
   Si   O    H 
    32    64    10
Direct configuration=  2091
   0.17919406  0.17575475 -0.02991023
   0.34696922  0.08399025  0.36454448
   0.13468814  0.42419081  0.10749949
   0.38072076  0.34926603  0.24380825
   0.07385212  0.16214272  0.48444521
   0.39919415  0.12650372  0.84608847
   0.11683443  0.41206261  0.62183291
   0.38198189  0.37265655  0.75203863
   0.13546063  0.69503573 -0.01561221
   0.42814474  0.57899508  0.36717711
   0.08528266  0.89406292  0.14754555
   0.34322605  0.82801455  0.25194931
   0.17816048  0.64217456  0.49243251
   0.38373981  0.61436583  0.86660995
   0.06934761  0.88689545  0.60297667
   0.34851162  0.97933007  0.66761636
   0.62351823  0.13033155  1.00401617
   0.84731887  0.11893136  0.33833682
   0.61583573  0.40279603  0.11544261
   0.89843865  0.29974008  0.16267179
   0.61547027  0.16950176  0.48782597
   0.90145139  0.09198412  0.88747805
   0.61492800  0.42678147  0.62059263
   0.78372446  0.34515056  0.80233731
   0.62669460  0.66493823 -0.00063229
   0.90995486  0.60204760  0.37910634
   0.58228662  0.91269609  0.13656732
   0.83656170  0.84191590  0.24956479
   0.65601844  0.65568844  0.48049543
   0.86940189  0.61811447  0.88568912
   0.63333029  0.91283010  0.62536818
   0.84318038  0.87008309  0.75507374
   0.09757204  0.05513241  0.16894208
   0.34664772  0.19437819  0.27311218
   0.13027911  0.32596273  0.01027506
   0.35325808  0.43520599  0.34126155
   0.53510145  0.36598637  0.20709593
   0.28218594  0.41852649  0.15830737
   0.20793349  0.11470680  0.42555062
  -0.01625819  0.18366466  0.38735942
   0.03028319  0.03518454  0.54599979
   0.46668298  0.23673381  0.77537163
   0.08419328  0.29665787  0.54355303
   0.36606576  0.45579377  0.85184133
   0.47034514  0.42944803  0.67335132
   0.23441669  0.35670764  0.70541046
   0.26163941  0.21442625 -0.12550070
   0.03496802  0.10241121  0.94927092
   0.10774613  0.57328653  0.06217972
   0.41026828  0.68313804  0.27968086
   0.11761027  0.84330014  0.03496747
   0.35830359  0.92359878  0.34096967
   0.42649436  0.90080757  0.16481900
   0.19529654  0.80670015  0.21909742
   0.33445304  0.65451158  0.44362304
   0.07201654  0.59028744  0.41605934
   0.17870217  0.54000931  0.57682127
   0.33849491  0.66952401  0.76247957
   0.11431571  0.79199449  0.52136453
   0.36185627  0.99505264  0.78255046
   0.47097843  0.88180312  0.62912836
   0.19918237  0.91061055  0.67222734
   0.29384332  0.67786827 -0.04733897
   0.03203915  0.66684889  0.89870100
   0.61564984  0.06654725  0.11067710
   0.84237147  0.17285576  0.22426391
   0.59665700  0.29187843  0.03383400
   0.86405189  0.44165148  0.36211029
   0.02725273  0.38898282  0.19166692
   0.76488324  0.40355525  0.15295923
   0.71426172  0.15140796  0.39928349
   0.47089671  0.11923590  0.43628086
   0.65123433  0.06256062  0.57884464
   0.88701608  0.21852714  0.79899787
   0.60783284  0.30700253  0.54164134
   0.86395770  0.46704605  0.84855932
   0.97428432  0.46651907  0.66390251
   0.73345671  0.38293164  0.69882640
   0.76496079  0.09975478  0.95163166
   0.49176939  0.09285009  0.93889743
   0.56507046  0.55202403  0.07293076
   0.88351941  0.69166082  0.27747147
   0.61611867  0.81740737  0.03844864
   0.86086016  0.95218700  0.33358924
   0.93037193  0.86487577  0.16091263
   0.67492149  0.85056498  0.22374304
   0.81502063  0.67218560  0.46472059
   0.58736141  0.56435712  0.39684258
   0.63464114  0.58319016  0.58362119
   0.81912950  0.72547153  0.80307756
   0.58606595  0.80681958  0.47391288
   0.92549909  0.94241792  0.84567197
   0.95063808  0.83438675  0.66581941
   0.68977622  0.93258107  0.73475605
   0.79157075  0.65544780  0.98417871
   0.53823297  0.65282044  0.90085383
   0.72728373  0.80648866  0.58918740
   0.50331879  0.81379724  0.43177811
   0.93855825  0.21900510  0.07888454
   0.94223304  0.37347775  0.36480006
   0.31954865  0.11447100  0.60461299
   0.28411426  0.76816702  0.75052769
   0.17290316  1.09119265  0.20756001
   0.26475809  1.08325990  0.03806712
   0.65682480  0.35232117  0.85463879
   0.90135232  0.42205938  0.66819420
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923194    0.338169   -0.125209
    -0.000000    9.946489    0.049370
    -0.000000    0.000000   14.015696
   Si   O    H 
    32    64    10
Direct configuration=  2092
   0.18010518  0.17596894 -0.02988088
   0.34731888  0.08483778  0.36429672
   0.13302561  0.42424231  0.10630850
   0.38081776  0.34861271  0.24454454
   0.07327335  0.16181789  0.48411033
   0.39918532  0.12668549  0.84453556
   0.11770470  0.41267259  0.62121490
   0.38291549  0.37244882  0.75247718
   0.13374521  0.69405676 -0.01474943
   0.42742509  0.58028508  0.36667221
   0.08449732  0.89303648  0.14710452
   0.34231673  0.82852190  0.25196587
   0.17799515  0.64314436  0.49316118
   0.38470804  0.61488468  0.86664524
   0.06989731  0.88760898  0.60257943
   0.34746263  0.97875924  0.66831443
   0.62373463  0.13160807  1.00345575
   0.84664495  0.11828717  0.33899674
   0.61671738  0.40136845  0.11582187
   0.89796805  0.30054198  0.16333145
   0.61453317  0.16855290  0.48778182
   0.90106391  0.09220385  0.88775524
   0.61620469  0.42703398  0.62090041
   0.78536838  0.34495277  0.80243305
   0.62656711  0.66373517 -0.00105939
   0.90940813  0.60164424  0.37863114
   0.58285505  0.91137016  0.13669381
   0.83714180  0.84185118  0.24930689
   0.65647686  0.65568535  0.48006709
   0.86978353  0.61899587  0.88558034
   0.63285065  0.91232266  0.62480547
   0.84335719  0.86897643  0.75511824
   0.09680865  0.05766913  0.16845764
   0.34378743  0.19357593  0.27217013
   0.13074753  0.32410715  0.01068010
   0.35411045  0.43541938  0.34167296
   0.53423148  0.36783867  0.20781078
   0.28296904  0.42003631  0.15924081
   0.20942380  0.11413120  0.42473389
  -0.01601914  0.18285873  0.38608978
   0.03021158  0.03512342  0.54592247
   0.46479448  0.23637724  0.77566890
   0.08509029  0.29787161  0.54312152
   0.36708294  0.45507744  0.85249959
   0.47230412  0.42750962  0.67091911
   0.23426935  0.35743096  0.70518265
   0.26250109  0.21546276 -0.12428019
   0.03690468  0.10249785  0.94811578
   0.10775471  0.57516855  0.06337653
   0.41165240  0.68379261  0.28051059
   0.11704997  0.84237833  0.03479527
   0.35697414  0.92463282  0.34171411
   0.42727050  0.90068130  0.16577437
   0.19527331  0.80677121  0.21908077
   0.33434748  0.65590771  0.44387676
   0.07214206  0.58885604  0.41466025
   0.17923748  0.54081340  0.57760720
   0.34052724  0.67167122  0.76206127
   0.11389610  0.79314277  0.52052496
   0.36268402  0.99605546  0.78305605
   0.46934489  0.88181838  0.62966426
   0.19760772  0.91143303  0.67164471
   0.29301868  0.67845312 -0.04656698
   0.03211538  0.66715818  0.89839856
   0.61469762  0.06506564  0.11027656
   0.84321896  0.17211050  0.22449944
   0.59815220  0.29207611  0.03344692
   0.86466691  0.44032174  0.36143263
   0.02764055  0.38949697  0.19044836
   0.76726509  0.40522038  0.15203578
   0.71480167  0.15040925  0.40038682
   0.47047572  0.11840351  0.43593185
   0.65167003  0.06249249  0.57786041
   0.88759513  0.21729260  0.79864158
   0.60831448  0.30661584  0.54100831
   0.86540395  0.46865450  0.84940708
   0.97485707  0.46649860  0.66539760
   0.73313841  0.38335556  0.69804190
   0.76505209  0.09890927  0.95154375
   0.49021632  0.09179866  0.93730702
   0.56552000  0.55089368  0.07278361
   0.88363418  0.69209727  0.27886410
   0.61680798  0.81649640  0.03873129
   0.86273900  0.95117659  0.33342264
   0.93206163  0.86492699  0.16028412
   0.67557704  0.85036845  0.22409340
   0.81638358  0.67110892  0.46494894
   0.58751393  0.56466382  0.39581170
   0.63391424  0.58370528  0.58247051
   0.81952533  0.72586384  0.80332269
   0.58662919  0.80618568  0.47359599
   0.92507075  0.94167021  0.84452885
   0.95153547  0.83416333  0.66678100
   0.69040288  0.93215730  0.73375611
   0.79028195  0.65681603  0.98419079
   0.53916898  0.65354205  0.90029701
   0.71860909  0.80195973  0.59336580
   0.50478060  0.81960759  0.43625846
   0.93187265  0.22231071  0.07943782
   0.93490678  0.36874853  0.36466281
   0.31711840  0.11889707  0.60808130
   0.28979487  0.75773911  0.74899774
   0.17605512  1.08293627  0.21050610
   0.26019777  1.08141204  0.04206631
   0.66016684  0.35520222  0.85048437
   0.89407380  0.40881456  0.66679567
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923089    0.342654   -0.125788
    -0.000000    9.947121    0.048839
    -0.000000    0.000000   14.013741
   Si   O    H 
    32    64    10
Direct configuration=  2093
   0.18124297  0.17578867 -0.03000632
   0.34781270  0.08576290  0.36430780
   0.13181022  0.42451267  0.10529289
   0.38022742  0.34817083  0.24492464
   0.07317271  0.16067060  0.48363286
   0.39853701  0.12724089  0.84308454
   0.11872971  0.41319462  0.62111496
   0.38369674  0.37190358  0.75272339
   0.13267627  0.69346597 -0.01362551
   0.42650850  0.58181938  0.36598304
   0.08401265  0.89222198  0.14634791
   0.34216095  0.82882752  0.25214550
   0.17750259  0.64473631  0.49364728
   0.38521961  0.61534387  0.86692526
   0.07023150  0.88856829  0.60181117
   0.34584751  0.97781354  0.66882147
   0.62360012  0.13296143  1.00316771
   0.84601810  0.11757939  0.33919635
   0.61724663  0.40024999  0.11613420
   0.89768267  0.30126977  0.16394848
   0.61318290  0.16752910  0.48801021
   0.90026252  0.09226164  0.88792223
   0.61714359  0.42720745  0.62112815
   0.78716842  0.34436863  0.80287206
   0.62656869  0.66280278 -0.00122783
   0.90914562  0.60084286  0.37829803
   0.58336186  0.91008850  0.13670517
   0.83667006  0.84196424  0.24950636
   0.65733149  0.65551861  0.48008568
   0.87030267  0.61995125  0.88532966
   0.63246991  0.91211929  0.62412700
   0.84393568  0.86816321  0.75492136
   0.09635489  0.05990134  0.16763747
   0.34097087  0.19222500  0.27146722
   0.13073985  0.32321628  0.01094944
   0.35507285  0.43587538  0.34226560
   0.53288383  0.36887718  0.20908691
   0.28378111  0.42145728  0.16007350
   0.21095165  0.11386499  0.42351741
  -0.01628808  0.18216400  0.38514025
   0.02995232  0.03450796  0.54620627
   0.46346531  0.23601734  0.77568408
   0.08609466  0.29956802  0.54246779
   0.36807587  0.45519802  0.85289806
   0.47537953  0.42657143  0.66837161
   0.23346026  0.35846398  0.70504849
   0.26243178  0.21609807 -0.12276594
   0.03885633  0.10259733  0.94762569
   0.10877774  0.57725012  0.06470816
   0.41302690  0.68486160  0.28115713
   0.11665068  0.84186442  0.03456791
   0.35505627  0.92631834  0.34265047
   0.42786301  0.90062439  0.16593025
   0.19456769  0.80709281  0.21932535
   0.33381688  0.65691884  0.44494583
   0.07262385  0.58697387  0.41321305
   0.17967038  0.54119602  0.57873594
   0.34114798  0.67482178  0.76153242
   0.11327887  0.79392008  0.51952983
   0.36306673  0.99674466  0.78315732
   0.46763739  0.88132112  0.63036959
   0.19672890  0.91272424  0.67141567
   0.29087841  0.67954144 -0.04573091
   0.03171486  0.66675289  0.89777106
   0.61393875  0.06357605  0.11031018
   0.84454433  0.17033225  0.22493392
   0.59865561  0.29174581  0.03291781
   0.86525625  0.43920851  0.36084541
   0.02778795  0.38987429  0.18947788
   0.76966254  0.40632449  0.15130540
   0.71537717  0.14904357  0.40070258
   0.47030511  0.11751091  0.43603817
   0.65189553  0.06322881  0.57688985
   0.88864548  0.21486152  0.79810018
   0.60826463  0.30584133  0.54070727
   0.86695205  0.46934157  0.85025771
   0.97597393  0.46638423  0.66722257
   0.73263670  0.38340882  0.69706315
   0.76440306  0.09795141  0.95182831
   0.48917673  0.09012613  0.93539055
   0.56668825  0.54935921  0.07251053
   0.88362552  0.69153545  0.28085836
   0.61714589  0.81661202  0.03888060
   0.86407381  0.95112845  0.33345847
   0.93310384  0.86491094  0.15992500
   0.67649711  0.84956151  0.22358197
   0.81774774  0.67007662  0.46505413
   0.58700067  0.56538021  0.39490373
   0.63297859  0.58358667  0.58176992
   0.81912413  0.72518937  0.80359107
   0.58743357  0.80671926  0.47306686
   0.92440897  0.94052695  0.84400583
   0.95185424  0.83363380  0.66792104
   0.69114301  0.93162866  0.73280904
   0.78907090  0.65697562  0.98428008
   0.53960858  0.65467146  0.90010458
   0.71107559  0.79796942  0.59790675
   0.49929135  0.82558896  0.43956383
   0.92452427  0.22791389  0.07582916
   0.92893259  0.36373344  0.36487807
   0.32071448  0.11532764  0.61515012
   0.29850002  0.74494887  0.74861764
   0.17464855  1.07443362  0.20915527
   0.25234396  1.08642024  0.04194451
   0.65954407  0.35539408  0.84905973
   0.89135010  0.40030087  0.66508085
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923382    0.347116   -0.126602
    -0.000000    9.947785    0.048441
    -0.000000    0.000000   14.011545
   Si   O    H 
    32    64    10
Direct configuration=  2094
   0.18196514  0.17569832 -0.02993542
   0.34761233  0.08659632  0.36404482
   0.13146676  0.42482774  0.10418018
   0.37944204  0.34789619  0.24572680
   0.07377471  0.15927032  0.48317067
   0.39775544  0.12751630  0.84182598
   0.11934304  0.41348905  0.62118538
   0.38370321  0.37181391  0.75309773
   0.13193603  0.69244191 -0.01263114
   0.42678008  0.58275570  0.36542179
   0.08390010  0.89163350  0.14568110
   0.34237991  0.82935111  0.25215598
   0.17718008  0.64616674  0.49371457
   0.38541922  0.61588420  0.86743316
   0.07078271  0.88969620  0.60093774
   0.34449150  0.97731530  0.66934904
   0.62345397  0.13439023  1.00309613
   0.84562327  0.11689905  0.33920703
   0.61774671  0.39940776  0.11651022
   0.89756539  0.30164598  0.16446018
   0.61220249  0.16628100  0.48816501
   0.90061258  0.09254328  0.88802999
   0.61783676  0.42788128  0.62152894
   0.78976501  0.34427828  0.80321496
   0.62633204  0.66192580 -0.00126909
   0.90916980  0.59942433  0.37792255
   0.58337444  0.90854497  0.13623244
   0.83620273  0.84240907  0.24996771
   0.65875575  0.65544954  0.48002927
   0.87021631  0.62085405  0.88474730
   0.63187596  0.91197191  0.62345417
   0.84439078  0.86739651  0.75487255
   0.09582684  0.06192307  0.16682647
   0.33944166  0.19084908  0.27104061
   0.13103979  0.32240126  0.01217221
   0.35616585  0.43611513  0.34355345
   0.53175270  0.36968656  0.21010662
   0.28425929  0.42246647  0.16098989
   0.21145507  0.11321153  0.42289816
  -0.01712404  0.18091968  0.38434689
   0.02904857  0.03388473  0.54693935
   0.46294375  0.23526084  0.77540978
   0.08720835  0.30079139  0.54156687
   0.36939451  0.45539601  0.85287035
   0.47780687  0.42659942  0.66651242
   0.23233526  0.35896890  0.70479700
   0.26286311  0.21632244 -0.12172115
   0.04049968  0.10283133  0.94788204
   0.11000188  0.57857431  0.06618799
   0.41411400  0.68590473  0.28092186
   0.11577044  0.84111715  0.03449518
   0.35365097  0.92814356  0.34410968
   0.42861914  0.90057325  0.16670343
   0.19211471  0.80796392  0.21924712
   0.33407265  0.65797546  0.44646599
   0.07207943  0.58523151  0.41164284
   0.18036782  0.54200575  0.57954604
   0.34282365  0.67439338  0.76182922
   0.11332669  0.79456046  0.51838562
   0.36312337  0.99705129  0.78316784
   0.46664830  0.87993881  0.63107845
   0.19563592  0.91432665  0.67109470
   0.28882006  0.67975085 -0.04575917
   0.03153814  0.66722497  0.89725329
   0.61335210  0.06247115  0.11008909
   0.84610988  0.16825925  0.22595690
   0.59950074  0.29101808  0.03215304
   0.86591802  0.43920280  0.35976007
   0.02811724  0.39037272  0.18855354
   0.77329880  0.40779812  0.15058770
   0.71630708  0.14690307  0.40156135
   0.47069613  0.11629284  0.43622831
   0.65268898  0.06421160  0.57627169
   0.88912406  0.21260459  0.79846807
   0.60793928  0.30549291  0.54053385
   0.86835348  0.46900865  0.85082041
   0.97619724  0.46495466  0.66872984
   0.73229142  0.38327960  0.69574542
   0.76420802  0.09725399  0.95180884
   0.48869118  0.08781304  0.93364194
   0.56839719  0.54752995  0.07216662
   0.88319255  0.69025567  0.28328344
   0.61666754  0.81757107  0.03871675
   0.86577869  0.95115007  0.33287720
   0.93260212  0.86444550  0.15964387
   0.67786379  0.84940094  0.22304158
   0.81985975  0.66925439  0.46530442
   0.58682154  0.56624208  0.39447960
   0.63209260  0.58496277  0.58108349
   0.81779283  0.72427034  0.80406739
   0.58794627  0.80754432  0.47210310
   0.92348880  0.94037926  0.84403816
   0.95186731  0.83359797  0.66851880
   0.69276915  0.93102687  0.73189581
   0.78846659  0.65687009  0.98375907
   0.53975988  0.65555142  0.90045578
   0.70844238  0.79024080  0.60209568
   0.49669451  0.83038037  0.44452783
   0.91845418  0.23469234  0.07340941
   0.92581156  0.35963710  0.36660594
   0.33090554  0.10650973  0.62407751
   0.28004295  0.77625568  0.74228956
   0.17534230  1.06853811  0.20772903
   0.24344695  1.09111929  0.03997685
   0.65498838  0.35378265  0.84905012
   0.89558491  0.40031114  0.66476753
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923922    0.351458   -0.127709
    -0.000000    9.948448    0.048137
    -0.000000    0.000000   14.009442
   Si   O    H 
    32    64    10
Direct configuration=  2095
   0.18288743  0.17555088 -0.03010855
   0.34715779  0.08749033  0.36359443
   0.13087409  0.42523914  0.10330030
   0.37875975  0.34772865  0.24647844
   0.07494461  0.15813448  0.48282055
   0.39683780  0.12755473  0.84084422
   0.11979995  0.41341041  0.62142601
   0.38308645  0.37237143  0.75345262
   0.13170775  0.69136357 -0.01137745
   0.42713600  0.58298527  0.36475000
   0.08393233  0.89076530  0.14505421
   0.34293656  0.83015248  0.25255813
   0.17669384  0.64765007  0.49385924
   0.38597062  0.61644568  0.86763391
   0.07174097  0.89098240  0.60057409
   0.34330301  0.97632227  0.67015356
   0.62305339  0.13582584  1.00324454
   0.84528231  0.11508693  0.33925553
   0.61839768  0.39874278  0.11714699
   0.89795023  0.30162415  0.16503195
   0.61074589  0.16461088  0.48831191
   0.90126180  0.09364871  0.88813894
   0.61861714  0.42825940  0.62120343
   0.79238865  0.34466622  0.80347341
   0.62632342  0.66122177 -0.00126795
   0.90991020  0.59838456  0.37756134
   0.58329872  0.90718831  0.13578380
   0.83568593  0.84292951  0.25008119
   0.65969061  0.65487162  0.47978843
   0.87046715  0.62287518  0.88419045
   0.63135382  0.91203711  0.62270416
   0.84513860  0.86674982  0.75518823
   0.09630496  0.06310823  0.16604351
   0.33883154  0.18983483  0.27071026
   0.13162367  0.32098372  0.01347987
   0.35670446  0.43633127  0.34457236
   0.53128513  0.36984866  0.21103354
   0.28476008  0.42222042  0.16163527
   0.21172928  0.11309189  0.42238208
  -0.01798938  0.18000769  0.38403112
   0.02847290  0.03316046  0.54777602
   0.46254593  0.23427763  0.77486571
   0.08806309  0.30109186  0.54116421
   0.37036056  0.45635772  0.85306343
   0.47982014  0.42645775  0.66546849
   0.23117955  0.35872732  0.70460315
   0.26337017  0.21742260 -0.12120866
   0.04253612  0.10273595  0.94791172
   0.11144437  0.57939569  0.06795470
   0.41480360  0.68747923  0.28036845
   0.11474478  0.84042817  0.03472965
   0.35224827  0.92921241  0.34566234
   0.42915643  0.90029364  0.16810159
   0.18962885  0.80895264  0.21946446
   0.33399695  0.65899439  0.44822179
   0.07086344  0.58386812  0.41040327
   0.18036890  0.54354010  0.58036482
   0.34427530  0.67463903  0.76166127
   0.11346591  0.79472279  0.51668058
   0.36324662  0.99801716  0.78349029
   0.46590755  0.87981961  0.63131351
   0.19522275  0.91584591  0.67107834
   0.28660786  0.68052247 -0.04617042
   0.03093452  0.66697307  0.89742150
   0.61281319  0.06143982  0.10963888
   0.84795860  0.16619729  0.22698938
   0.60100077  0.29028975  0.03087934
   0.86667908  0.43952036  0.35791254
   0.02871191  0.39108393  0.18804377
   0.77583871  0.40848186  0.15004524
   0.71642751  0.14545808  0.40224909
   0.47199433  0.11543717  0.43667683
   0.65328034  0.06487943  0.57607672
   0.88997049  0.20955952  0.79818987
   0.60775723  0.30538595  0.54028834
   0.86899816  0.46802472  0.85062028
   0.97574279  0.46337429  0.67038632
   0.73201200  0.38280881  0.69455218
   0.76363454  0.09670615  0.95151611
   0.48891026  0.08539826  0.93183580
   0.56985759  0.54569930  0.07228552
   0.88268717  0.68863915  0.28571219
   0.61666167  0.81849096  0.03820427
   0.86753882  0.95152832  0.33264226
   0.93168115  0.86394217  0.15897609
   0.67886587  0.84975859  0.22264432
   0.82203973  0.66781169  0.46492657
   0.58671362  0.56745507  0.39425440
   0.63169027  0.58618833  0.58044811
   0.81604983  0.72317477  0.80468429
   0.58850333  0.80841391  0.47111484
   0.92182410  0.94022790  0.84408179
   0.95195610  0.83381405  0.66915962
   0.69481069  0.93006802  0.73117005
   0.78793019  0.65549855  0.98302369
   0.54029209  0.65697646  0.90061978
   0.70990781  0.78290517  0.60488875
   0.49807543  0.83373268  0.44841903
   0.91072116  0.24164196  0.07107597
   0.92257292  0.35561911  0.37219702
   0.34055828  0.10259353  0.63104633
   0.27136670  0.78914390  0.73968079
   0.17833681  1.06457371  0.20593917
   0.23797872  1.09416475  0.03811546
   0.65253506  0.34544074  0.85057500
   0.90540823  0.40871683  0.66095248
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924359    0.355000   -0.128435
    -0.000000    9.948651    0.047630
    -0.000000    0.000000   14.007519
   Si   O    H 
    32    64    10
Direct configuration=  2096
   0.18322452  0.17541611 -0.02986488
   0.34635538  0.08874576  0.36288001
   0.13103324  0.42522461  0.10239471
   0.37819079  0.34847902  0.24706120
   0.07614080  0.15750723  0.48230470
   0.39606640  0.12772494  0.83990992
   0.11998644  0.41334168  0.62195304
   0.38274364  0.37294194  0.75355693
   0.13175394  0.69081974 -0.01053243
   0.42711546  0.58311046  0.36458542
   0.08456594  0.88998698  0.14415151
   0.34409994  0.83098714  0.25284908
   0.17650647  0.64994268  0.49353814
   0.38646830  0.61698469  0.86765500
   0.07211934  0.89222799  0.60003206
   0.34246119  0.97547474  0.67093687
   0.62226578  0.13659028  1.00336105
   0.84542430  0.11352348  0.33945702
   0.61910671  0.39769634  0.11749825
   0.89828270  0.30109175  0.16570255
   0.60951154  0.16298439  0.48835447
   0.90173999  0.09549211  0.88816548
   0.61980336  0.42833852  0.62060982
   0.79367905  0.34544733  0.80374815
   0.62657701  0.66090859 -0.00084294
   0.91030274  0.59735352  0.37736013
   0.58267284  0.90565473  0.13520722
   0.83533811  0.84288185  0.24989403
   0.66018944  0.65431896  0.47983551
   0.87081664  0.62497116  0.88374200
   0.63117642  0.91230791  0.62202069
   0.84551403  0.86653720  0.75561183
   0.09683159  0.06380087  0.16578763
   0.33776296  0.18974462  0.27063804
   0.13199752  0.31929032  0.01437411
   0.35755566  0.43681321  0.34512288
   0.53028253  0.36976231  0.21172312
   0.28481731  0.42243388  0.16255387
   0.21246647  0.11412771  0.42178410
  -0.01874799  0.17887507  0.38362618
   0.02802757  0.03194978  0.54884977
   0.46282753  0.23310943  0.77483506
   0.08800378  0.30172226  0.54045759
   0.37226697  0.45663687  0.85270266
   0.48005400  0.42617262  0.66457266
   0.23111756  0.35833443  0.70434254
   0.26338597  0.21850072 -0.12100334
   0.04473896  0.10280789  0.94762293
   0.11273678  0.58014191  0.07045761
   0.41461800  0.68917671  0.27914137
   0.11424824  0.83943648  0.03496084
   0.35131937  0.92968140  0.34641279
   0.42930822  0.89980198  0.16885873
   0.18692575  0.81055215  0.21961282
   0.33341170  0.65920228  0.44999907
   0.06962323  0.58261723  0.40973612
   0.18108069  0.54497389  0.58074367
   0.34509351  0.67602395  0.76126283
   0.11389613  0.79420447  0.51466376
   0.36306470  0.99877129  0.78403243
   0.46552217  0.87968721  0.63195263
   0.19530608  0.91710384  0.67090057
   0.28498533  0.68109130 -0.04606743
   0.02915493  0.66718442  0.89722261
   0.61263125  0.06079901  0.10832149
   0.84950578  0.16438025  0.22794929
   0.60085233  0.29048776  0.02913500
   0.86821691  0.44049018  0.35607355
   0.02913463  0.39091900  0.18743266
   0.77775147  0.40839747  0.14963091
   0.71670039  0.14443906  0.40302672
   0.47327697  0.11510680  0.43714929
   0.65386592  0.06520953  0.57582858
   0.89141913  0.20641995  0.79876240
   0.60676679  0.30593295  0.54039649
   0.86976859  0.46663437  0.85025615
   0.97567835  0.46288462  0.67153074
   0.73173860  0.38208337  0.69346409
   0.76296583  0.09633557  0.95151725
   0.48955875  0.08354815  0.93060755
   0.57201204  0.54447270  0.07252089
   0.88221410  0.68783377  0.28799249
   0.61651395  0.81976910  0.03809314
   0.86871338  0.95213085  0.33241916
   0.93013627  0.86470712  0.15872562
   0.67951445  0.84954120  0.22258157
   0.82418012  0.66643971  0.46516600
   0.58682736  0.56859257  0.39384234
   0.63133054  0.58669698  0.58045771
   0.81385104  0.72154382  0.80504132
   0.58971971  0.80867038  0.47037549
   0.92021620  0.94058705  0.84383756
   0.95239690  0.83282105  0.66921872
   0.69674717  0.92879492  0.72996154
   0.78736802  0.65443366  0.98198559
   0.54048937  0.65823777  0.90046951
   0.71210038  0.78314421  0.61000464
   0.49756596  0.83712668  0.44977817
   0.90400649  0.24695839  0.06959193
   0.92292407  0.35566295  0.37802416
   0.35236329  0.10497598  0.63352217
   0.26839144  0.78699130  0.73885470
   0.17952398  1.06205489  0.20454173
   0.24088116  1.08881340  0.04043452
   0.65441692  0.33578843  0.85466075
   0.90314062  0.41076109  0.65608252
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924559    0.359358   -0.129494
    -0.000000    9.948694    0.046529
    -0.000000    0.000000   14.005381
   Si   O    H 
    32    64    10
Direct configuration=  2097
   0.18314693  0.17581872 -0.02954943
   0.34549714  0.08953259  0.36246765
   0.13189651  0.42539543  0.10128675
   0.37801641  0.34911043  0.24759346
   0.07681793  0.15782409  0.48153197
   0.39560138  0.12863234  0.83911065
   0.11997893  0.41319239  0.62279215
   0.38224196  0.37368642  0.75327639
   0.13155898  0.69011271 -0.00972083
   0.42644229  0.58302777  0.36464153
   0.08528972  0.88967472  0.14329000
   0.34530177  0.83124023  0.25317943
   0.17688700  0.65158336  0.49316823
   0.38736956  0.61810291  0.86773535
   0.07157385  0.89382043  0.59924883
   0.34173688  0.97426352  0.67188205
   0.62141001  0.13751699  1.00299445
   0.84588843  0.11177964  0.33943709
   0.61969519  0.39688082  0.11741338
   0.89844286  0.29964739  0.16601272
   0.60842429  0.16112479  0.48782981
   0.90205858  0.09637903  0.88846577
   0.62085690  0.42834255  0.61952240
   0.79429143  0.34589774  0.80405708
   0.62698650  0.66105137 -0.00060909
   0.91093679  0.59564383  0.37794065
   0.58205446  0.90436150  0.13491919
   0.83491317  0.84284465  0.25023980
   0.66089261  0.65387049  0.47958243
   0.87102679  0.62615875  0.88310978
   0.63118083  0.91239706  0.62162312
   0.84613742  0.86693915  0.75641325
   0.09750790  0.06415814  0.16568848
   0.33814079  0.18947165  0.27041223
   0.13242620  0.31758624  0.01518063
   0.35852373  0.43722839  0.34592494
   0.52964541  0.36931195  0.21253850
   0.28402672  0.42206015  0.16306877
   0.21320048  0.11492999  0.42126127
  -0.01910059  0.17793925  0.38380347
   0.02804816  0.03119237  0.55029084
   0.46330627  0.23222555  0.77465256
   0.08759828  0.30106546  0.53948977
   0.37470083  0.45609911  0.85250937
   0.47955285  0.42601262  0.66420111
   0.23184281  0.35807106  0.70367296
   0.26323225  0.21897484 -0.12082862
   0.04595633  0.10305610  0.94727482
   0.11394934  0.58051649  0.07268951
   0.41433403  0.69027030  0.27711558
   0.11384569  0.83853395  0.03547659
   0.35041190  0.92982927  0.34662210
   0.42924578  0.89966729  0.16983062
   0.18466107  0.81275407  0.21944985
   0.33277209  0.65962239  0.45154136
   0.06883833  0.58203803  0.40979801
   0.18200024  0.54674617  0.58096819
   0.34479478  0.67808124  0.76119177
   0.11414353  0.79300657  0.51313407
   0.36344290  0.99896002  0.78477322
   0.46451907  0.87996662  0.63296710
   0.19497161  0.91895050  0.67054650
   0.28336292  0.68069145 -0.04609492
   0.02824472  0.66778766  0.89689706
   0.61252568  0.05990169  0.10677682
   0.85030231  0.16285745  0.22914055
   0.60078806  0.29140419  0.02816228
   0.86952348  0.44024729  0.35454253
   0.02894046  0.39092950  0.18736555
   0.77849198  0.40832936  0.14893525
   0.71766746  0.14322917  0.40391604
   0.47442962  0.11469640  0.43785942
   0.65567216  0.06525541  0.57586319
   0.89299819  0.20369924  0.79905368
   0.60606651  0.30776175  0.54068530
   0.87000126  0.46604347  0.85023148
   0.97701445  0.46296905  0.67315829
   0.73228783  0.38189409  0.69286372
   0.76278044  0.09635476  0.95142889
   0.49125987  0.08247375  0.92926400
   0.57345677  0.54351776  0.07278407
   0.88148909  0.68786224  0.29028092
   0.61532063  0.82077678  0.03832824
   0.87033851  0.95182847  0.33190892
   0.92803618  0.86487286  0.15875931
   0.68047939  0.84984204  0.22266369
   0.82542228  0.66538696  0.46550459
   0.58723419  0.56984889  0.39354348
   0.63071748  0.58717562  0.58091986
   0.81121431  0.72050811  0.80534415
   0.59075984  0.80918958  0.46992120
   0.91861428  0.94212240  0.84378980
   0.95245655  0.83166329  0.66952171
   0.69816839  0.92854496  0.72877563
   0.78706258  0.65203571  0.98064703
   0.54081226  0.65813075  0.90043329
   0.71312150  0.78743003  0.61594045
   0.49700203  0.83767224  0.45050936
   0.90121036  0.25148017  0.06637846
   0.91753389  0.36324211  0.37978157
   0.36057902  0.11493324  0.63334894
   0.26817064  0.77465305  0.74106776
   0.18211325  1.06183456  0.20526318
   0.24698960  1.08286589  0.04655018
   0.66027725  0.32550596  0.85555197
   0.88802822  0.40653906  0.65058433
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924929    0.363486   -0.130332
    -0.000000    9.948528    0.045313
    -0.000000    0.000000   14.003100
   Si   O    H 
    32    64    10
Direct configuration=  2098
   0.18316937  0.17653629 -0.02918589
   0.34527598  0.09008941  0.36275786
   0.13265977  0.42629229  0.10037077
   0.37742420  0.34997477  0.24807329
   0.07800360  0.15819466  0.48088140
   0.39524186  0.12949060  0.83876194
   0.12011144  0.41298749  0.62424280
   0.38145676  0.37446047  0.75230564
   0.13137482  0.68925647 -0.00922119
   0.42595528  0.58304937  0.36507448
   0.08590529  0.88972735  0.14225249
   0.34626593  0.83191499  0.25325989
   0.17752822  0.65194555  0.49251539
   0.38824552  0.61953878  0.86798611
   0.07102941  0.89504648  0.59825287
   0.34154927  0.97336293  0.67254573
   0.62038019  0.13809133  1.00253212
   0.84646854  0.11073940  0.33939526
   0.62085631  0.39667965  0.11754668
   0.89895868  0.29775418  0.16620056
   0.60818730  0.15981959  0.48732215
   0.90258469  0.09715300  0.88871270
   0.62193583  0.42838325  0.61776500
   0.79411483  0.34648266  0.80428484
   0.62758249  0.66086092 -0.00047511
   0.91173011  0.59378325  0.37853652
   0.58133789  0.90274241  0.13445641
   0.83492963  0.84259827  0.25006981
   0.66164665  0.65353936  0.47936636
   0.87143922  0.62669095  0.88248205
   0.63124695  0.91249074  0.62109835
   0.84671609  0.86674137  0.75687721
   0.09877855  0.06349935  0.16599774
   0.33895373  0.18912118  0.27081961
   0.13381405  0.31657130  0.01653204
   0.35870425  0.43725322  0.34715124
   0.53000436  0.36863899  0.21313545
   0.28321264  0.42187360  0.16354199
   0.21331985  0.11555852  0.42089512
  -0.01927330  0.17713868  0.38401000
   0.02759724  0.03159059  0.55141432
   0.46374820  0.23183737  0.77415445
   0.08693825  0.29990303  0.53869917
   0.37697814  0.45509167  0.85264831
   0.47826747  0.42618303  0.66448034
   0.23283178  0.35777026  0.70292485
   0.26341679  0.21955854 -0.12144417
   0.04733981  0.10257765  0.94689093
   0.11532542  0.58056019  0.07469659
   0.41380085  0.69074070  0.27517542
   0.11386561  0.83738342  0.03598766
   0.34930397  0.93041725  0.34628011
   0.42884768  0.90006185  0.17044039
   0.18326753  0.81474319  0.21912735
   0.33316001  0.65956696  0.45259101
   0.06862624  0.58136138  0.41024849
   0.18278364  0.54827532  0.58079233
   0.34414017  0.68118772  0.76069923
   0.11437966  0.79193903  0.51222321
   0.36386106  0.99852215  0.78569707
   0.46396344  0.88038775  0.63410539
   0.19402376  0.92036326  0.67043884
   0.28206314  0.67989550 -0.04654213
   0.02733689  0.66787177  0.89672428
   0.61240081  0.05888611  0.10499155
   0.85125517  0.16202718  0.22957014
   0.60070569  0.29292547  0.02727362
   0.87171993  0.44071026  0.35376737
   0.02804178  0.39015120  0.18756323
   0.77862039  0.40840058  0.14825600
   0.71847848  0.14168822  0.40448073
   0.47544766  0.11391468  0.43814085
   0.65664665  0.06541393  0.57604275
   0.89428002  0.20233411  0.79908979
   0.60538551  0.30946206  0.54087124
   0.87088405  0.46582955  0.85048520
   0.97797584  0.46324457  0.67382922
   0.73332436  0.38126797  0.69269818
   0.76276079  0.09653102  0.95111437
   0.49287765  0.08246692  0.92814846
   0.57557115  0.54335440  0.07224082
   0.88021739  0.68903054  0.29190881
   0.61469653  0.82035135  0.03810966
   0.87202736  0.95136142  0.33196393
   0.92577621  0.86501969  0.15873888
   0.68191712  0.84967387  0.22298791
   0.82619222  0.66409932  0.46575034
   0.58795371  0.57109788  0.39331914
   0.63175396  0.58704166  0.58135575
   0.80834416  0.72040552  0.80450406
   0.59099995  0.80936977  0.46918550
   0.91650304  0.94439610  0.84461200
   0.95192873  0.83119837  0.66977761
   0.69909122  0.92860213  0.72784796
   0.78681498  0.65038657  0.97942730
   0.54092474  0.65817194  0.90018537
   0.71746799  0.79308110  0.61695497
   0.49867215  0.83530282  0.45263649
   0.90352231  0.25385927  0.06335268
   0.92067818  0.36787230  0.38278658
   0.36632549  0.12121665  0.63271092
   0.27340064  0.75157464  0.74733103
   0.17918941  1.06839071  0.20533722
   0.25324634  1.07606622  0.04677892
   0.66797695  0.31623647  0.85570748
   0.88594603  0.40953857  0.65051277
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925096    0.367835   -0.130577
    -0.000000    9.948004    0.044168
    -0.000000    0.000000   14.000930
   Si   O    H 
    32    64    10
Direct configuration=  2099
   0.18312007  0.17660401 -0.02880645
   0.34501967  0.09111292  0.36304118
   0.13380951  0.42705392  0.09995927
   0.37665672  0.35067668  0.24842602
   0.07912957  0.15860654  0.48001918
   0.39524366  0.13058168  0.83878610
   0.11978206  0.41272249  0.62536047
   0.38089487  0.37553967  0.75108679
   0.13133304  0.68879537 -0.00920281
   0.42515333  0.58296117  0.36555728
   0.08653109  0.88976371  0.14152830
   0.34745174  0.83247134  0.25318337
   0.17791082  0.65166296  0.49163527
   0.38872276  0.62089595  0.86797221
   0.07026639  0.89625910  0.59740557
   0.34142024  0.97318912  0.67335130
   0.61940822  0.13791476  1.00244897
   0.84776036  0.10990533  0.33942033
   0.62204671  0.39580816  0.11813979
   0.90013544  0.29588419  0.16631307
   0.60773433  0.15847377  0.48671488
   0.90327691  0.09769509  0.88891088
   0.62230146  0.42840376  0.61604339
   0.79286219  0.34745470  0.80399381
   0.62814048  0.66175140  0.00008762
   0.91230288  0.59219855  0.37932803
   0.58082043  0.90119871  0.13375872
   0.83547029  0.84275283  0.24967560
   0.66244710  0.65363985  0.47968904
   0.87233990  0.62732957  0.88242588
   0.63084116  0.91284111  0.62061854
   0.84747106  0.86590144  0.75716024
   0.09921731  0.06260084  0.16616731
   0.33994049  0.18942441  0.27133344
   0.13526404  0.31598838  0.01763781
   0.35903762  0.43695357  0.34829547
   0.53028203  0.36859981  0.21376701
   0.28298140  0.42174230  0.16371628
   0.21258295  0.11619096  0.42069107
  -0.01892290  0.17673158  0.38510442
   0.02702226  0.03300780  0.55201611
   0.46316807  0.23189398  0.77389577
   0.08620920  0.29923907  0.53823978
   0.37899929  0.45504257  0.85375534
   0.47680348  0.42609283  0.66493308
   0.23376885  0.35703697  0.70196257
   0.26428904  0.22031529 -0.12257531
   0.04804034  0.10251258  0.94686376
   0.11568972  0.58108946  0.07660092
   0.41318009  0.69073370  0.27364000
   0.11463587  0.83578943  0.03641999
   0.34810559  0.93134806  0.34567285
   0.42825158  0.90062391  0.17059886
   0.18265510  0.81676406  0.21900644
   0.33352580  0.65933770  0.45372027
   0.06901827  0.58115550  0.41120972
   0.18441091  0.54895871  0.58047675
   0.34417077  0.68455767  0.76053587
   0.11369558  0.79176509  0.51105964
   0.36383069  0.99764914  0.78693801
   0.46396179  0.88115280  0.63487045
   0.19308155  0.92126917  0.67044385
   0.28192828  0.67925281 -0.04760938
   0.02744795  0.66790920  0.89700676
   0.61217320  0.05785539  0.10347498
   0.85184714  0.16259540  0.22972525
   0.59986408  0.29425050  0.02663886
   0.87258256  0.44112882  0.35301615
   0.02745360  0.38843485  0.18850298
   0.77808227  0.40866222  0.14861327
   0.71883038  0.14101439  0.40479622
   0.47555638  0.11303210  0.43747640
   0.65774771  0.06518624  0.57686078
   0.89595322  0.20232830  0.79856118
   0.60489144  0.31066674  0.54007046
   0.87063529  0.46669831  0.85049715
   0.97840113  0.46224167  0.67378089
   0.73423329  0.38075383  0.69338018
   0.76305449  0.09683493  0.95120777
   0.49540107  0.08309120  0.92764967
   0.57791430  0.54460803  0.07128342
   0.87831731  0.69038301  0.29291447
   0.61429687  0.81979408  0.03777673
   0.87280752  0.95097976  0.33168874
   0.92398943  0.86548663  0.15847364
   0.68313072  0.84976052  0.22329414
   0.82636674  0.66295637  0.46572636
   0.58809880  0.57172618  0.39325695
   0.63331107  0.58703853  0.58151666
   0.80492125  0.72091285  0.80315835
   0.59156445  0.80964554  0.46840039
   0.91467319  0.94774092  0.84498747
   0.95209979  0.83115941  0.66966564
   0.69978896  0.92919836  0.72714676
   0.78678807  0.64885297  0.97800879
   0.54100346  0.65771587  0.89963897
   0.72435936  0.79552045  0.61352915
   0.49926928  0.83400155  0.45528963
   0.90812562  0.25461781  0.06059837
   0.93168289  0.36435918  0.38738335
   0.36888109  0.12212355  0.63225739
   0.27877767  0.73131785  0.75560883
   0.17635872  1.07715252  0.20510189
   0.26060423  1.07461788  0.04062272
   0.67838171  0.30896735  0.85633972
   0.89337390  0.41931836  0.65601759
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925371    0.372145   -0.130925
    -0.000000    9.947188    0.043120
    -0.000000    0.000000   13.998973
   Si   O    H 
    32    64    10
Direct configuration=  2100
   0.18286679  0.17678892 -0.02819073
   0.34494362  0.09206401  0.36332615
   0.13465675  0.42748683  0.10022405
   0.37540225  0.35145665  0.24865528
   0.08101608  0.15832450  0.47945213
   0.39540194  0.13130378  0.83890377
   0.11938201  0.41244311  0.62678483
   0.38030024  0.37607785  0.74966855
   0.13160341  0.68884773 -0.00956499
   0.42495203  0.58342756  0.36569218
   0.08686121  0.88956988  0.14096371
   0.34849162  0.83243799  0.25316144
   0.17805765  0.65080868  0.49064159
   0.38876860  0.62304974  0.86823352
   0.07017739  0.89685477  0.59679175
   0.34186298  0.97324518  0.67373732
   0.61877033  0.13768098  1.00286844
   0.84925037  0.10959494  0.33897651
   0.62322849  0.39535001  0.11856716
   0.90105811  0.29397470  0.16652787
   0.60728674  0.15726498  0.48595530
   0.90382602  0.09789380  0.88897094
   0.62187869  0.42822398  0.61440834
   0.79216789  0.34839824  0.80357700
   0.62870327  0.66273203  0.00084315
   0.91276735  0.59059689  0.38003782
   0.58099506  0.90008574  0.13287964
   0.83687503  0.84231989  0.24975433
   0.66349616  0.65422889  0.48042686
   0.87327821  0.62765230  0.88220320
   0.63052749  0.91321577  0.61972230
   0.84862457  0.86481530  0.75755046
   0.09914822  0.06122388  0.16643272
   0.34169827  0.19048212  0.27154339
   0.13668954  0.31608385  0.01870191
   0.35979649  0.43652672  0.34890949
   0.53019495  0.36827475  0.21492475
   0.28280426  0.42129483  0.16359372
   0.21236898  0.11707552  0.42120728
  -0.01962946  0.17712981  0.38576597
   0.02647616  0.03505392  0.55187321
   0.46198255  0.23287725  0.77311649
   0.08537140  0.29840681  0.53770388
   0.38015136  0.45514398  0.85539656
   0.47525599  0.42669079  0.66645863
   0.23491105  0.35674431  0.70089619
   0.26421990  0.22070592 -0.12369087
   0.04802243  0.10199280  0.94694562
   0.11588075  0.58210453  0.07810270
   0.41300867  0.68955623  0.27229532
   0.11595684  0.83408959  0.03704538
   0.34699582  0.93310408  0.34527545
   0.42779704  0.90144741  0.17041043
   0.18307113  0.81890716  0.21874961
   0.33337514  0.65890212  0.45499273
   0.06916711  0.58220071  0.41226822
   0.18539795  0.55002034  0.58037413
   0.34840391  0.68592305  0.76085866
   0.11324790  0.79309312  0.51099260
   0.36408169  0.99610914  0.78829730
   0.46494532  0.88205405  0.63525707
   0.19287580  0.92194080  0.67105975
   0.28228658  0.67807496 -0.04884654
   0.02807802  0.66750161  0.89731919
   0.61216189  0.05710133  0.10268241
   0.85189066  0.16339512  0.22990747
   0.59899701  0.29557240  0.02650725
   0.87303330  0.44111584  0.35256867
   0.02783698  0.38667037  0.18907547
   0.77744634  0.40965832  0.14892482
   0.71914260  0.14086681  0.40477692
   0.47552360  0.11260023  0.43631459
   0.65801242  0.06481971  0.57780917
   0.89748682  0.20222961  0.79829635
   0.60474534  0.31196372  0.53880626
   0.86982876  0.46784670  0.85091809
   0.97844023  0.46144179  0.67386327
   0.73568587  0.37995557  0.69372395
   0.76286485  0.09719683  0.95081514
   0.49816492  0.08333543  0.92786563
   0.57989869  0.54596088  0.07003977
   0.87724234  0.69198319  0.29297385
   0.61349528  0.81823662  0.03726270
   0.87324024  0.95067414  0.33129678
   0.92365974  0.86609234  0.15851267
   0.68373257  0.84960551  0.22393050
   0.82633954  0.66203073  0.46552876
   0.58812093  0.57116040  0.39312982
   0.63454868  0.58725798  0.58142669
   0.80178664  0.72164309  0.80231245
   0.59193270  0.81063330  0.46761049
   0.91361028  0.95039562  0.84502460
   0.95199979  0.83160184  0.66871572
   0.70065660  0.93043395  0.72654475
   0.78673341  0.64718612  0.97659928
   0.54105035  0.65779458  0.89879068
   0.72944535  0.79842212  0.60756756
   0.49505585  0.82859162  0.45759545
   0.90972119  0.25149808  0.06009110
   0.93578014  0.36948704  0.38644498
   0.36464815  0.11481282  0.63074931
   0.23523966  0.74177610  0.76083868
   0.17805600  1.08781174  0.20628204
   0.26510468  1.07722426  0.03299422
   0.68081151  0.30201353  0.85710596
   0.90658624  0.42661561  0.66246172
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925664    0.376243   -0.130548
    -0.000000    9.946291    0.042153
    -0.000000    0.000000   13.997287
   Si   O    H 
    32    64    10
Direct configuration=  2101
   0.18312493  0.17708457 -0.02752549
   0.34556288  0.09302912  0.36349191
   0.13564200  0.42739640  0.10073678
   0.37431241  0.35194442  0.24862723
   0.08233432  0.15787550  0.47881809
   0.39498189  0.13162971  0.83903038
   0.11916686  0.41238977  0.62783056
   0.37964347  0.37638708  0.74899247
   0.13237399  0.68906758 -0.01026169
   0.42482112  0.58420540  0.36616327
   0.08649407  0.89026493  0.14057941
   0.34911539  0.83223215  0.25317699
   0.17800911  0.64936541  0.48955562
   0.38882350  0.62527471  0.86803257
   0.06984430  0.89687775  0.59685496
   0.34324376  0.97389926  0.67364048
   0.61838993  0.13685096  1.00273330
   0.85080608  0.11012327  0.33834915
   0.62398222  0.39487616  0.11905231
   0.90193659  0.29215598  0.16653079
   0.60751470  0.15676649  0.48493215
   0.90425858  0.09836493  0.88893935
   0.62130000  0.42765830  0.61298730
   0.79119570  0.34921148  0.80341147
   0.62908281  0.66357383  0.00145559
   0.91360738  0.58869034  0.38080208
   0.58191044  0.89922014  0.13188782
   0.83847786  0.84166498  0.25021544
   0.66396504  0.65504663  0.48056875
   0.87434857  0.62804974  0.88162840
   0.63052762  0.91353696  0.61917004
   0.84884861  0.86447634  0.75784329
   0.09874432  0.05876083  0.16636626
   0.34310973  0.19160942  0.27143066
   0.13716431  0.31667747  0.01948850
   0.35993434  0.43637002  0.34967617
   0.53016998  0.36772834  0.21573655
   0.28267971  0.42050375  0.16433892
   0.21274972  0.11803502  0.42201107
  -0.02054129  0.17758843  0.38647901
   0.02600898  0.03735783  0.55116076
   0.46068818  0.23492997  0.77226994
   0.08509265  0.29823148  0.53722527
   0.38141839  0.45613810  0.85650375
   0.47412063  0.42734663  0.66833437
   0.23598996  0.35695603  0.69925735
   0.26413623  0.22034566 -0.12444365
   0.04814986  0.10166818  0.94655010
   0.11614557  0.58215713  0.07903185
   0.41277320  0.68812758  0.27124724
   0.11664779  0.83203567  0.03700250
   0.34576748  0.93363538  0.34429898
   0.42750740  0.90238334  0.16995397
   0.18452109  0.82104334  0.21910495
   0.33290107  0.65879677  0.45544823
   0.06944814  0.58358905  0.41329725
   0.18657083  0.54980258  0.57991881
   0.35115748  0.68686905  0.76088169
   0.11308477  0.79488030  0.51160087
   0.36413327  0.99490406  0.78937586
   0.46645150  0.88235824  0.63581624
   0.19342822  0.92222988  0.67146389
   0.28261505  0.67656810 -0.05017808
   0.02885401  0.66775862  0.89816427
   0.61154653  0.05682898  0.10182951
   0.85212398  0.16462050  0.22989113
   0.59823563  0.29627049  0.02655074
   0.87340708  0.44052708  0.35191418
   0.02846776  0.38573749  0.18900762
   0.77704256  0.40972523  0.14943726
   0.71943541  0.14142651  0.40504602
   0.47540221  0.11166738  0.43460423
   0.65774871  0.06395664  0.57876595
   0.89863559  0.20291197  0.79833219
   0.60461508  0.31253592  0.53720528
   0.86922124  0.46875629  0.85138252
   0.98117808  0.46160245  0.67393665
   0.73784916  0.37954195  0.69426678
   0.76295325  0.09785805  0.95080445
   0.50079626  0.08334851  0.92821793
   0.58146691  0.54758947  0.06916730
   0.87610992  0.69379893  0.29312641
   0.61248952  0.81560712  0.03662530
   0.87415540  0.94979347  0.33106088
   0.92442401  0.86609057  0.15831190
   0.68270187  0.84941801  0.22385418
   0.82589848  0.66113701  0.46463635
   0.58810940  0.56995624  0.39304743
   0.63588547  0.58775918  0.58213328
   0.79946155  0.72255585  0.80186904
   0.59187107  0.81192613  0.46664730
   0.91328338  0.95270630  0.84521172
   0.95164492  0.83214185  0.66754423
   0.70085375  0.93162019  0.72627676
   0.78611838  0.64525483  0.97602552
   0.54106260  0.65780014  0.89799686
   0.73359729  0.80042190  0.60028033
   0.48905784  0.82274242  0.45984415
   0.90900413  0.24830034  0.06109844
   0.93408105  0.37654903  0.38278674
   0.36250634  0.10249577  0.62940882
   0.20993770  0.74491516  0.76648694
   0.17694429  1.09507774  0.20598727
   0.26539415  1.08438224  0.02403536
   0.68380527  0.29529289  0.85560474
   0.88297925  0.41579769  0.66199001
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925783    0.380203   -0.130362
    -0.000000    9.944890    0.041372
    -0.000000    0.000000   13.996021
   Si   O    H 
    32    64    10
Direct configuration=  2102
   0.18388342  0.17737170 -0.02715654
   0.34651926  0.09403835  0.36358277
   0.13770762  0.42696743  0.10192753
   0.37317856  0.35242717  0.24814566
   0.08321240  0.15799361  0.47838959
   0.39476566  0.13163358  0.83929369
   0.11905765  0.41217454  0.62842986
   0.37934785  0.37666803  0.74822780
   0.13352345  0.68914845 -0.01096921
   0.42497487  0.58486526  0.36637185
   0.08540802  0.89029041  0.14052759
   0.34915966  0.83171010  0.25342630
   0.17763617  0.64797214  0.48882778
   0.38868092  0.62663712  0.86754020
   0.06978123  0.89739432  0.59736896
   0.34443158  0.97516039  0.67352825
   0.61866665  0.13597700  1.00218068
   0.85230584  0.11108464  0.33739887
   0.62415140  0.39510156  0.11926665
   0.90278625  0.29140520  0.16629011
   0.60789185  0.15657193  0.48423710
   0.90457211  0.09852098  0.88938787
   0.62026574  0.42700186  0.61196526
   0.79031744  0.35014192  0.80335709
   0.62943743  0.66406898  0.00158443
   0.91427931  0.58704570  0.38127918
   0.58276684  0.89843666  0.13122203
   0.84080013  0.84043228  0.25070457
   0.66410854  0.65568690  0.48050344
   0.87495079  0.62840663  0.88131623
   0.63065879  0.91361168  0.61882056
   0.84840765  0.86411261  0.75829710
   0.09788654  0.05576157  0.16625105
   0.34451843  0.19244013  0.27131059
   0.13724440  0.31738154  0.01977172
   0.35995206  0.43628388  0.35009184
   0.52987293  0.36702173  0.21644389
   0.28220864  0.41966819  0.16397257
   0.21386375  0.11890852  0.42310652
  -0.02146357  0.17856393  0.38754236
   0.02471495  0.03970719  0.55002650
   0.46113240  0.23680685  0.77127755
   0.08517533  0.29851952  0.53699909
   0.38280979  0.45686862  0.85690487
   0.47281964  0.42817197  0.67056849
   0.23661768  0.35684059  0.69782631
   0.26381672  0.21903202 -0.12537906
   0.04868962  0.10145299  0.94594916
   0.11620681  0.58228330  0.07939429
   0.41197720  0.68658500  0.27077034
   0.11686011  0.82981696  0.03668722
   0.34531524  0.93508736  0.34301545
   0.42780141  0.90228177  0.16892076
   0.18597182  0.82225616  0.22018130
   0.33243851  0.65831502  0.45642025
   0.07060456  0.58436573  0.41405457
   0.18709425  0.55005931  0.57920009
   0.35219803  0.68758473  0.76109928
   0.11277388  0.79746090  0.51226166
   0.36478578  0.99501990  0.79025998
   0.46776496  0.88143467  0.63516997
   0.19354444  0.92215954  0.67183206
   0.28249778  0.67493284 -0.05187712
   0.03056469  0.66774331  0.89917814
   0.61109913  0.05568884  0.10137435
   0.85208972  0.16635068  0.23006734
   0.59663979  0.29687688  0.02716289
   0.87322324  0.43952076  0.35138692
   0.02842090  0.38361877  0.18919436
   0.77611067  0.40936079  0.15040469
   0.71943299  0.14202324  0.40500089
   0.47487723  0.11109725  0.43267484
   0.65728493  0.06352717  0.57895492
   0.89942896  0.20534931  0.79869549
   0.60403869  0.31315931  0.53521007
   0.86916537  0.46984242  0.85188571
   0.98256460  0.46132883  0.67407765
   0.74039881  0.37932559  0.69525612
   0.76319928  0.09802500  0.95052835
   0.50271326  0.08401176  0.92819665
   0.58351208  0.54881880  0.06847386
   0.87426506  0.69529004  0.29335085
   0.61070590  0.81304059  0.03643085
   0.87505984  0.94900069  0.33097390
   0.92495184  0.86567195  0.15810218
   0.68064140  0.84910475  0.22365117
   0.82547094  0.66073894  0.46401248
   0.58827287  0.56895967  0.39274344
   0.63667335  0.58750938  0.58298824
   0.79774748  0.72274951  0.80166071
   0.59074807  0.81246078  0.46554058
   0.91292649  0.95467813  0.84447511
   0.95154501  0.83336377  0.66607188
   0.70045646  0.93268838  0.72643922
   0.78568181  0.64336174  0.97547807
   0.54144635  0.65786631  0.89726426
   0.73523460  0.80290619  0.59278869
   0.49086421  0.81464653  0.46147778
   0.90733296  0.24442871  0.06640736
   0.93454136  0.37611272  0.38188053
   0.35936059  0.09310125  0.62995906
   0.19120121  0.74372114  0.77105347
   0.17606334  1.10064614  0.20182261
   0.26493710  1.08890997  0.01952765
   0.68452256  0.29060398  0.85398763
   0.87545941  0.41149782  0.66132855
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926446    0.384303   -0.130703
    -0.000000    9.943809    0.040520
    -0.000000    0.000000   13.994839
   Si   O    H 
    32    64    10
Direct configuration=  2103
   0.18375475  0.17826843 -0.02675112
   0.34717278  0.09482940  0.36371708
   0.13973045  0.42655386  0.10298558
   0.37198707  0.35340208  0.24798917
   0.08430084  0.15785928  0.47795449
   0.39449202  0.13137681  0.83951964
   0.11917300  0.41252018  0.62834055
   0.37962251  0.37669743  0.74805376
   0.13479757  0.68917171 -0.01149272
   0.42532491  0.58502103  0.36682849
   0.08442369  0.89012456  0.14036398
   0.34924041  0.83063650  0.25332364
   0.17753097  0.64695136  0.48807992
   0.38904644  0.62744321  0.86665882
   0.06980159  0.89766436  0.59823117
   0.34574079  0.97603831  0.67414089
   0.61889455  0.13536736  1.00204075
   0.85386974  0.11209799  0.33608351
   0.62408877  0.39604297  0.11894599
   0.90342897  0.29067366  0.16587903
   0.60805661  0.15668337  0.48372205
   0.90461731  0.09870713  0.88988691
   0.61831675  0.42640879  0.61102001
   0.79044428  0.35059612  0.80335629
   0.62956515  0.66424773  0.00177266
   0.91547468  0.58595509  0.38129656
   0.58373774  0.89764337  0.13091457
   0.84245405  0.83921527  0.25138325
   0.66430491  0.65645746  0.48023962
   0.87537704  0.62890159  0.88086772
   0.63037557  0.91289942  0.61857502
   0.84714486  0.86445192  0.75862554
   0.09605781  0.05347200  0.16599221
   0.34610401  0.19309466  0.27126575
   0.13747994  0.31903686  0.01937480
   0.36006267  0.43659097  0.34994290
   0.52998399  0.36635414  0.21699930
   0.28112111  0.41833252  0.16351994
   0.21487431  0.11981666  0.42423822
  -0.02233703  0.17912559  0.38891274
   0.02281176  0.04188742  0.54891220
   0.46158109  0.23783442  0.77080004
   0.08530434  0.29911709  0.53667875
   0.38351709  0.45773639  0.85731819
   0.47187318  0.42967202  0.67197174
   0.23687036  0.35651711  0.69657972
   0.26255946  0.21759087 -0.12614110
   0.04848212  0.10138375  0.94543289
   0.11659327  0.58253364  0.07952066
   0.41059481  0.68505580  0.27050311
   0.11668219  0.82859976  0.03672518
   0.34442837  0.93537796  0.34230006
   0.42863891  0.90253171  0.16877085
   0.18711452  0.82364981  0.22131184
   0.33265240  0.65783592  0.45695889
   0.07199445  0.58448916  0.41518583
   0.18708715  0.54906349  0.57881502
   0.35350385  0.68904557  0.76165417
   0.11248365  0.79974619  0.51266753
   0.36584159  0.99506744  0.79113920
   0.46912188  0.88042011  0.63461932
   0.19387317  0.92190344  0.67238172
   0.28163530  0.67331624 -0.05306314
   0.03230901  0.66758042  0.90008532
   0.61012208  0.05484439  0.10125005
   0.85144480  0.16856812  0.23029648
   0.59622627  0.29728127  0.02767779
   0.87300167  0.43814300  0.35070701
   0.02814733  0.38199836  0.18920448
   0.77524775  0.40864111  0.15157445
   0.72009574  0.14226980  0.40464514
   0.47377307  0.11060163  0.43115631
   0.65759495  0.06243649  0.57890812
   0.89949839  0.20794284  0.79937432
   0.60369239  0.31280292  0.53258399
   0.86929393  0.46990690  0.85187819
   0.98312698  0.46063543  0.67400506
   0.74201972  0.37912649  0.69576613
   0.76361822  0.09918251  0.95001177
   0.50511317  0.08444509  0.92779716
   0.58498087  0.54931342  0.06727992
   0.87305804  0.69611594  0.29345668
   0.60883434  0.81121472  0.03665584
   0.87627402  0.94851650  0.33067730
   0.92601358  0.86570519  0.15789905
   0.67877856  0.84929514  0.22266683
   0.82447525  0.66010870  0.46426756
   0.58894503  0.56815055  0.39244878
   0.63750512  0.58579008  0.58410752
   0.79598663  0.72278686  0.80173950
   0.58970911  0.81309852  0.46481017
   0.91287772  0.95579974  0.84345575
   0.95108072  0.83563417  0.66497220
   0.69979068  0.93347213  0.72698798
   0.78507777  0.64129433  0.97535050
   0.54215372  0.65829378  0.89678179
   0.73748350  0.80724593  0.58529163
   0.49672390  0.80633488  0.46211945
   0.90552421  0.23817192  0.07266664
   0.93742617  0.37115358  0.38228564
   0.35729499  0.09811006  0.62544493
   0.17882530  0.74012539  0.77488862
   0.17439809  1.09881492  0.19609432
   0.27105637  1.08508933  0.02195232
   0.68050337  0.28687712  0.85654773
   0.87881398  0.40725219  0.66351360
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926706    0.388131   -0.131145
    -0.000000    9.942667    0.039773
    -0.000000    0.000000   13.993891
   Si   O    H 
    32    64    10
Direct configuration=  2104
   0.18386206  0.17874929 -0.02678396
   0.34753662  0.09574080  0.36383350
   0.14167539  0.42581705  0.10413886
   0.37121006  0.35421173  0.24770020
   0.08490814  0.15806772  0.47765983
   0.39428644  0.13165944  0.83998937
   0.11946289  0.41258143  0.62812430
   0.38060934  0.37722575  0.74841377
   0.13601259  0.68920908 -0.01229908
   0.42507141  0.58511256  0.36702139
   0.08336726  0.88995028  0.14032257
   0.34871303  0.83003648  0.25326528
   0.17737564  0.64610601  0.48744211
   0.38923668  0.62778436  0.86601608
   0.07006104  0.89758978  0.59844815
   0.34688760  0.97657151  0.67476949
   0.61891772  0.13511209  1.00160576
   0.85436151  0.11323818  0.33561068
   0.62463297  0.39796430  0.11831997
   0.90385458  0.29016470  0.16569962
   0.60896628  0.15669591  0.48365098
   0.90439867  0.09971438  0.89022601
   0.61599918  0.42578820  0.61077357
   0.79094959  0.34974999  0.80396091
   0.63037063  0.66433200  0.00142133
   0.91573649  0.58551523  0.38131170
   0.58436084  0.89755968  0.13094335
   0.84366050  0.83883329  0.25183198
   0.66447539  0.65750655  0.47983652
   0.87617601  0.62962096  0.88024915
   0.63025458  0.91206036  0.61856332
   0.84613832  0.86440054  0.75877495
   0.09389203  0.05127016  0.16487492
   0.34682698  0.19439080  0.27077429
   0.13771870  0.32108908  0.01879231
   0.36017926  0.43686258  0.34949941
   0.52999349  0.36629030  0.21742337
   0.27959927  0.41720882  0.16337926
   0.21673601  0.12121913  0.42485196
  -0.02366667  0.17966849  0.38995815
   0.02094131  0.04375516  0.54757195
   0.46243352  0.23831067  0.77067035
   0.08543090  0.29977627  0.53634573
   0.38418372  0.45877781  0.85774471
   0.47254526  0.43161529  0.67237722
   0.23695692  0.35521916  0.69550446
   0.26049544  0.21624260 -0.12674579
   0.04836911  0.10243150  0.94454114
   0.11704210  0.58303901  0.07958112
   0.40969401  0.68273323  0.27041198
   0.11733722  0.82839089  0.03672310
   0.34418685  0.93554988  0.34125494
   0.42932975  0.90262337  0.16894052
   0.18874143  0.82548753  0.22226432
   0.33401570  0.65733689  0.45728135
   0.07284358  0.58464419  0.41591637
   0.18730694  0.54744002  0.57809472
   0.35404152  0.69047309  0.76212194
   0.11190326  0.80195536  0.51228288
   0.36591941  0.99489572  0.79181845
   0.47039223  0.87939651  0.63416922
   0.19342970  0.92149306  0.67266345
   0.28114098  0.67146474 -0.05438384
   0.03312110  0.66713587  0.90063067
   0.60936775  0.05385911  0.10045032
   0.85016462  0.17126999  0.23054118
   0.59588360  0.29688995  0.02846871
   0.87313901  0.43667672  0.34995188
   0.02828211  0.38091293  0.18925311
   0.77475861  0.40773556  0.15286516
   0.72032914  0.14205118  0.40362822
   0.47243316  0.11060550  0.43042451
   0.65691388  0.06175921  0.57884391
   0.89879975  0.21087149  0.79996745
   0.60388785  0.31315171  0.53001902
   0.86969181  0.46906560  0.85167399
   0.98259612  0.46035057  0.67413770
   0.74337751  0.37834854  0.69636072
   0.76398646  0.09996161  0.94923251
   0.50648854  0.08552532  0.92740037
   0.58590848  0.54803245  0.06657763
   0.87094170  0.69675327  0.29409385
   0.60724734  0.80968264  0.03714582
   0.87678691  0.94817713  0.33099816
   0.92678519  0.86589166  0.15808426
   0.67708286  0.84953706  0.22146226
   0.82377276  0.65907487  0.46450203
   0.58940794  0.56714531  0.39221269
   0.63780411  0.58414266  0.58543301
   0.79433537  0.72174448  0.80152586
   0.58963237  0.81380872  0.46409878
   0.91317344  0.95628424  0.84262799
   0.95105818  0.83868742  0.66403398
   0.69909483  0.93389477  0.72751399
   0.78478980  0.63884851  0.97567495
   0.54347299  0.65869105  0.89652809
   0.73614604  0.81092170  0.58184178
   0.48898801  0.80003955  0.46317534
   0.90349765  0.22832995  0.07497063
   0.93825922  0.36566968  0.38230621
   0.35250288  0.10625055  0.61850476
   0.17575059  0.73524117  0.77631826
   0.17179073  1.08902141  0.19002600
   0.28058228  1.08248381  0.02710677
   0.67647769  0.28866733  0.85899098
   0.89490820  0.41141288  0.66537298
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927400    0.392160   -0.131916
    -0.000000    9.941120    0.039367
    -0.000000    0.000000   13.992873
   Si   O    H 
    32    64    10
Direct configuration=  2105
   0.18415399  0.17903930 -0.02725095
   0.34821293  0.09619372  0.36373621
   0.14287269  0.42515732  0.10545816
   0.36991384  0.35502513  0.24747325
   0.08497714  0.15863597  0.47786295
   0.39404507  0.13217788  0.84044079
   0.11992775  0.41248190  0.62718803
   0.38173242  0.37769088  0.74929938
   0.13717602  0.68901383 -0.01339235
   0.42536656  0.58511681  0.36668809
   0.08228684  0.89040638  0.14054771
   0.34771384  0.82965385  0.25283243
   0.17812741  0.64604843  0.48730219
   0.38892431  0.62807515  0.86514263
   0.07033840  0.89807754  0.59881930
   0.34802001  0.97704420  0.67540398
   0.61963276  0.13449934  1.00139196
   0.85473431  0.11383293  0.33526794
   0.62440031  0.39944987  0.11757491
   0.90382532  0.28928701  0.16573021
   0.61019610  0.15713331  0.48353815
   0.90440500  0.10085269  0.89047703
   0.61363298  0.42485880  0.61115763
   0.79124261  0.34908812  0.80468836
   0.63179346  0.66419957  0.00114892
   0.91573824  0.58513375  0.38153522
   0.58480082  0.89728206  0.13131134
   0.84426122  0.83834166  0.25247732
   0.66505139  0.65838709  0.47881836
   0.87682243  0.62957733  0.87963671
   0.63045652  0.91107797  0.61799371
   0.84534837  0.86432730  0.75882101
   0.09226148  0.04981042  0.16410829
   0.34694535  0.19525826  0.27018266
   0.13802358  0.32243049  0.01871556
   0.35962348  0.43686422  0.34909377
   0.53044808  0.36641200  0.21750454
   0.27863042  0.41613698  0.16324573
   0.21880520  0.12194002  0.42517646
  -0.02424892  0.18033715  0.39085709
   0.01945926  0.04488946  0.54670563
   0.46388498  0.23865676  0.77049750
   0.08574176  0.30018103  0.53594399
   0.38332404  0.46054027  0.85795386
   0.47352558  0.43447304  0.67158164
   0.23645372  0.35475399  0.69475306
   0.25820951  0.21471994 -0.12735325
   0.04786705  0.10318643  0.94393873
   0.11697405  0.58379261  0.07930294
   0.40840915  0.68018814  0.27111987
   0.11690416  0.82844940  0.03723241
   0.34464195  0.93484432  0.34021905
   0.42971948  0.90208136  0.16923501
   0.19002434  0.82591328  0.22239173
   0.33561930  0.65721175  0.45750243
   0.07334567  0.58469855  0.41611014
   0.18673274  0.54643752  0.57821613
   0.35356975  0.69229489  0.76218846
   0.11220361  0.80287191  0.51218872
   0.36623578  0.99403608  0.79241990
   0.47090269  0.87809788  0.63339641
   0.19294175  0.92095617  0.67294001
   0.28098282  0.66907109 -0.05543693
   0.03403812  0.66627940  0.90056124
   0.60801636  0.05268915  0.09971651
   0.84885246  0.17340890  0.23147597
   0.59646749  0.29586349  0.02904878
   0.87370074  0.43521940  0.34950138
   0.02842946  0.38002181  0.18923623
   0.77450688  0.40587190  0.15425406
   0.72104972  0.14176922  0.40285947
   0.47184224  0.11068158  0.43026022
   0.65617183  0.06096762  0.57869739
   0.89902446  0.21319491  0.80091579
   0.60529340  0.31305937  0.52752473
   0.86964616  0.46885437  0.85163000
   0.98277908  0.45918600  0.67406186
   0.74398772  0.37769652  0.69656933
   0.76492816  0.10129158  0.94858175
   0.50650380  0.08704458  0.92693118
   0.58637321  0.54551868  0.06624076
   0.86895300  0.69629595  0.29503813
   0.60521557  0.80920581  0.03785531
   0.87762665  0.94847724  0.33190501
   0.92737084  0.86537009  0.15819044
   0.67664822  0.84964814  0.22075409
   0.82341965  0.65874924  0.46526673
   0.58916043  0.56705010  0.39200495
   0.63825249  0.58244450  0.58674781
   0.79292537  0.72012294  0.80093228
   0.58966009  0.81461874  0.46389460
   0.91359313  0.95647889  0.84147370
   0.95107453  0.84124763  0.66346822
   0.69906020  0.93366019  0.72813212
   0.78586359  0.63711164  0.97591738
   0.54447421  0.65901592  0.89715557
   0.73739042  0.81140864  0.57877094
   0.48277778  0.79708786  0.46633886
   0.90710776  0.21971693  0.07266918
   0.93187575  0.36669268  0.37822099
   0.34351622  0.10818398  0.61490644
   0.18053857  0.72848592  0.77465753
   0.17527016  1.08226072  0.18615768
   0.28595269  1.08091271  0.03252049
   0.67734035  0.29308794  0.85955871
   0.91259808  0.41745328  0.66540215
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928171    0.396254   -0.133175
    -0.000000    9.939724    0.038899
    -0.000000    0.000000   13.991987
   Si   O    H 
    32    64    10
Direct configuration=  2106
   0.18453440  0.17930782 -0.02784566
   0.34890759  0.09636273  0.36361648
   0.14397011  0.42414775  0.10671434
   0.36909799  0.35557423  0.24740892
   0.08532202  0.15884913  0.47781983
   0.39436331  0.13242226  0.84095999
   0.12078875  0.41289947  0.62589666
   0.38265932  0.37829198  0.75044770
   0.13787825  0.68777288 -0.01396913
   0.42526289  0.58533260  0.36690135
   0.08163827  0.89063998  0.14082574
   0.34673905  0.82973339  0.25225101
   0.17936789  0.64604857  0.48727965
   0.38905357  0.62885243  0.86451711
   0.07049463  0.89895111  0.59947963
   0.34884278  0.97747850  0.67539695
   0.62054529  0.13332061  1.00145893
   0.85452990  0.11442454  0.33519132
   0.62483144  0.40065646  0.11679822
   0.90295144  0.28893136  0.16535673
   0.61156267  0.15763833  0.48375601
   0.90434481  0.10187555  0.89085938
   0.61157349  0.42410083  0.61147858
   0.79129344  0.34843776  0.80513962
   0.63319759  0.66352146  0.00055955
   0.91554249  0.58536968  0.38168578
   0.58523285  0.89724543  0.13147315
   0.84431513  0.83788482  0.25338205
   0.66460241  0.65954620  0.47801850
   0.87753462  0.62886260  0.87892949
   0.63077444  0.91060803  0.61750288
   0.84453029  0.86404369  0.75877306
   0.09060044  0.04891687  0.16268743
   0.34670707  0.19609372  0.26947439
   0.13867356  0.32388286  0.01861940
   0.35891975  0.43759043  0.34891587
   0.53091659  0.36647502  0.21744694
   0.27743673  0.41459417  0.16333986
   0.22071209  0.12258410  0.42588613
  -0.02450575  0.18152036  0.39216865
   0.01854676  0.04512234  0.54548495
   0.46538719  0.23861980  0.77066606
   0.08748389  0.30046709  0.53558324
   0.38238668  0.46154409  0.85750144
   0.47510545  0.43717201  0.67013696
   0.23571073  0.35432386  0.69429491
   0.25578289  0.21201802 -0.12838887
   0.04664309  0.10331793  0.94451428
   0.11691544  0.58390965  0.07868273
   0.40810220  0.67783838  0.27179993
   0.11574525  0.82905736  0.03786087
   0.34527262  0.93459224  0.33949793
   0.43086428  0.90134640  0.16932750
   0.19149780  0.82654073  0.22241627
   0.33785515  0.65720041  0.45725607
   0.07374074  0.58462218  0.41570820
   0.18622912  0.54504652  0.57817477
   0.35283324  0.69419654  0.76261833
   0.11212289  0.80269385  0.51202161
   0.36633583  0.99329211  0.79267843
   0.47108480  0.87763610  0.63267409
   0.19360288  0.92087637  0.67344851
   0.28113346  0.66780586 -0.05587970
   0.03449767  0.66476925  0.90029587
   0.60616797  0.05154627  0.09889955
   0.84731034  0.17497103  0.23304139
   0.59700987  0.29399923  0.02942214
   0.87451755  0.43471678  0.34897453
   0.02892651  0.37870855  0.18922565
   0.77447593  0.40447335  0.15501551
   0.72143814  0.14080147  0.40254499
   0.47141936  0.11037678  0.43025325
   0.65568133  0.06031374  0.57836642
   0.89898759  0.21625423  0.80147689
   0.60601146  0.31239253  0.52549969
   0.86954147  0.46951110  0.85147133
   0.98431491  0.45906628  0.67391329
   0.74505527  0.37691942  0.69689194
   0.76661596  0.10226850  0.94858966
   0.50637073  0.08776522  0.92626568
   0.58682509  0.54330380  0.06591288
   0.86738449  0.69491617  0.29549793
   0.60309672  0.80911983  0.03895913
   0.87767277  0.94941802  0.33330941
   0.92826865  0.86493950  0.15861125
   0.67686635  0.84989347  0.22047397
   0.82321468  0.65781080  0.46604548
   0.58948396  0.56716112  0.39245146
   0.63849106  0.58058766  0.58737359
   0.79155973  0.71865725  0.80088485
   0.58853450  0.81506766  0.46312692
   0.91412478  0.95671825  0.84007592
   0.95005099  0.84361094  0.66289120
   0.69880855  0.93323753  0.72841998
   0.78681196  0.63625055  0.97616705
   0.54534500  0.65943201  0.89816556
   0.73316005  0.81437925  0.57871389
   0.48890111  0.79917464  0.46774816
   0.91411309  0.21399541  0.07244012
   0.92883793  0.36192121  0.37619649
   0.33506973  0.10889489  0.61378416
   0.18747295  0.72211277  0.76937353
   0.18624412  1.07873966  0.18262912
   0.28623062  1.08282789  0.03540845
   0.67881029  0.29700410  0.85906642
   0.89691665  0.40371401  0.66244902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929081    0.399866   -0.134780
    -0.000000    9.938474    0.038294
    -0.000000    0.000000   13.990914
   Si   O    H 
    32    64    10
Direct configuration=  2107
   0.18431582  0.17884739 -0.02831066
   0.34918599  0.09584380  0.36347578
   0.14454336  0.42355841  0.10811354
   0.36843392  0.35520965  0.24777380
   0.08588847  0.15902094  0.47801553
   0.39485246  0.13259897  0.84180773
   0.12139095  0.41312662  0.62450537
   0.38319658  0.37844134  0.75195977
   0.13858867  0.68604520 -0.01386315
   0.42493631  0.58536139  0.36708636
   0.08159346  0.89101469  0.14143959
   0.34623563  0.83008933  0.25198496
   0.17985075  0.64604265  0.48729651
   0.38920020  0.62930378  0.86406507
   0.06994256  0.89940959  0.60015581
   0.34982465  0.97769908  0.67566368
   0.62110868  0.13210378  1.00137552
   0.85366058  0.11457800  0.33543621
   0.62495482  0.40165101  0.11679196
   0.90196479  0.28888277  0.16471524
   0.61179845  0.15779820  0.48407432
   0.90472939  0.10270118  0.89132889
   0.61013497  0.42365174  0.61176329
   0.79147759  0.34725297  0.80555413
   0.63443855  0.66259970  0.00006129
   0.91542655  0.58603584  0.38183878
   0.58564972  0.89715923  0.13182899
   0.84347574  0.83846535  0.25441898
   0.66396469  0.66070012  0.47729291
   0.87793032  0.62814721  0.87787562
   0.63187468  0.91047021  0.61704251
   0.84367452  0.86415168  0.75847824
   0.08940369  0.04883211  0.16085127
   0.34751061  0.19633978  0.26897044
   0.13868678  0.32512027  0.01841033
   0.35858036  0.43806478  0.34880237
   0.53110686  0.36692378  0.21719504
   0.27754567  0.41323099  0.16326869
   0.22242598  0.12250373  0.42627228
  -0.02475011  0.18259595  0.39295682
   0.01729730  0.04499588  0.54507770
   0.46659333  0.23844144  0.77060016
   0.08971984  0.30120210  0.53591212
   0.38185192  0.46197681  0.85698626
   0.47657345  0.44039319  0.66900950
   0.23591971  0.35356244  0.69366864
   0.25387057  0.20940153 -0.12948623
   0.04573469  0.10353269  0.94445136
   0.11620341  0.58256322  0.07808040
   0.40751035  0.67519966  0.27233409
   0.11448599  0.82976640  0.03885584
   0.34669800  0.93497112  0.33897012
   0.43248252  0.90107076  0.16955283
   0.19264117  0.82723259  0.22236128
   0.34035989  0.65641434  0.45691797
   0.07377485  0.58431223  0.41483216
   0.18623155  0.54457299  0.57839517
   0.35086675  0.69667971  0.76288763
   0.11328120  0.80155521  0.51170021
   0.36699781  0.99208749  0.79192827
   0.47092763  0.87800276  0.63195752
   0.19445822  0.92086688  0.67357643
   0.28145798  0.66708366 -0.05559455
   0.03409471  0.66372347  0.90010771
   0.60498710  0.05041405  0.09813969
   0.84524507  0.17611057  0.23403147
   0.59843843  0.29169971  0.02948641
   0.87591523  0.43469213  0.34829710
   0.02994278  0.37761697  0.18842514
   0.77563021  0.40303228  0.15559358
   0.72172809  0.14033942  0.40175473
   0.47166815  0.10974208  0.43053171
   0.65412793  0.05978539  0.57804355
   0.89871419  0.21828441  0.80229732
   0.60605898  0.31146306  0.52326922
   0.86952066  0.47062375  0.85121966
   0.98484921  0.45930700  0.67376566
   0.74629734  0.37601279  0.69713084
   0.76834777  0.10346416  0.94851470
   0.50604067  0.08947602  0.92618834
   0.58678852  0.54152527  0.06580421
   0.86591438  0.69380572  0.29574819
   0.60066657  0.80847496  0.03964351
   0.87810446  0.95107712  0.33403761
   0.92865030  0.86424446  0.15891174
   0.67697583  0.84914441  0.22083178
   0.82353877  0.65742242  0.46623805
   0.58916715  0.56756555  0.39279059
   0.63871444  0.57936006  0.58751746
   0.79046279  0.71737860  0.80085382
   0.58731141  0.81578722  0.46275078
   0.91501252  0.95593017  0.83856247
   0.94881413  0.84578785  0.66192117
   0.69911737  0.93325352  0.72844877
   0.78873461  0.63532219  0.97676920
   0.54622104  0.66077660  0.89877350
   0.72801563  0.82107259  0.57794251
   0.49904394  0.80380723  0.46762658
   0.92248699  0.20738190  0.07392410
   0.92964843  0.35644292  0.37469131
   0.33141815  0.10579542  0.61447991
   0.20344133  0.71560493  0.76287092
   0.18639968  1.07154376  0.17546332
   0.27920879  1.09026563  0.03351703
   0.67908971  0.30555162  0.85795858
   0.89007479  0.39617358  0.66226030
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929988    0.403567   -0.135979
    -0.000000    9.937354    0.038187
    -0.000000    0.000000   13.989702
   Si   O    H 
    32    64    10
Direct configuration=  2108
   0.18473432  0.17824546 -0.02836349
   0.34910004  0.09526531  0.36344982
   0.14407965  0.42335217  0.10918151
   0.36841108  0.35532042  0.24773026
   0.08644744  0.15924337  0.47838677
   0.39514923  0.13284290  0.84270571
   0.12254431  0.41339701  0.62296422
   0.38338486  0.37884880  0.75289863
   0.13952648  0.68412147 -0.01363228
   0.42419423  0.58439231  0.36707557
   0.08163231  0.89113042  0.14201135
   0.34555474  0.83028020  0.25157480
   0.18011177  0.64631679  0.48804434
   0.38961812  0.62997225  0.86383359
   0.06985820  0.89974741  0.60049165
   0.35133063  0.97745161  0.67565966
   0.62186719  0.13036473  1.00111426
   0.85236182  0.11458736  0.33597321
   0.62451828  0.40192799  0.11680610
   0.90031726  0.28896802  0.16416731
   0.61171792  0.15810792  0.48434387
   0.90574526  0.10342097  0.89146892
   0.60916373  0.42259958  0.61208157
   0.79192141  0.34640543  0.80621066
   0.63519123  0.66183544 -0.00068983
   0.91543526  0.58612867  0.38210666
   0.58591797  0.89716768  0.13202750
   0.84232018  0.83932281  0.25576793
   0.66366547  0.66186367  0.47727753
   0.87813095  0.62797322  0.87663863
   0.63299613  0.91065374  0.61690643
   0.84265526  0.86410554  0.75774070
   0.08875851  0.04941991  0.15922710
   0.34850920  0.19629920  0.26857769
   0.13813786  0.32600577  0.01810682
   0.35829584  0.43919392  0.34910087
   0.53140181  0.36713466  0.21640403
   0.27838435  0.41197371  0.16292700
   0.22346517  0.12319102  0.42654186
  -0.02451399  0.18380182  0.39387623
   0.01625399  0.04478338  0.54451120
   0.46786974  0.23785557  0.77117442
   0.09237738  0.30102604  0.53627441
   0.38160714  0.46258760  0.85575694
   0.47691649  0.44393872  0.66861712
   0.23569515  0.35301488  0.69347118
   0.25126520  0.20685363 -0.13048516
   0.04506010  0.10375138  0.94503341
   0.11597827  0.58053207  0.07813198
   0.40615041  0.67305292  0.27265996
   0.11341471  0.83034855  0.03975277
   0.34794571  0.93545953  0.33877113
   0.43303963  0.90172461  0.16962785
   0.19330661  0.82785220  0.22215077
   0.34332879  0.65564635  0.45698286
   0.07305575  0.58444128  0.41367817
   0.18592914  0.54424538  0.57845230
   0.34922957  0.69905666  0.76274385
   0.11527566  0.79976056  0.51154563
   0.36743378  0.99029220  0.79122700
   0.47116494  0.87787406  0.63114269
   0.19505068  0.92012732  0.67393738
   0.28235949  0.66608960 -0.05540322
   0.03408733  0.66326485  0.89951027
   0.60442549  0.04969400  0.09794763
   0.84402341  0.17649397  0.23450622
   0.59943291  0.29023627  0.02969645
   0.87782714  0.43507847  0.34742585
   0.03093388  0.37673962  0.18765960
   0.77642459  0.40119030  0.15591117
   0.72244853  0.14008399  0.40077366
   0.47228866  0.10953302  0.43095608
   0.65260035  0.05999863  0.57793823
   0.89938763  0.22004442  0.80331200
   0.60548819  0.31183146  0.52160394
   0.87020499  0.47133680  0.85106854
   0.98440929  0.45963255  0.67345306
   0.74649243  0.37557559  0.69619057
   0.77004539  0.10437250  0.94882743
   0.50559175  0.09083910  0.92555367
   0.58652872  0.54056885  0.06560940
   0.86433224  0.69242628  0.29613468
   0.59905656  0.80732958  0.04027223
   0.87795583  0.95251610  0.33459783
   0.92941088  0.86264441  0.15928973
   0.67756659  0.84856005  0.22096449
   0.82455198  0.65654352  0.46707330
   0.58844549  0.56885095  0.39295870
   0.63879105  0.57857908  0.58731904
   0.79036956  0.71691770  0.80072781
   0.58695564  0.81652376  0.46284879
   0.91584990  0.95562948  0.83679527
   0.94707404  0.84771969  0.66132431
   0.69887069  0.93299035  0.72807671
   0.79071904  0.63515619  0.97684567
   0.54705088  0.66171830  0.89915896
   0.72639837  0.82053139  0.57819353
   0.48632837  0.80742469  0.46774491
   0.92751807  0.20743633  0.07462308
   0.92894558  0.35393627  0.37453587
   0.32888990  0.10199792  0.61767384
   0.22324309  0.71165514  0.75588548
   0.17908267  1.06933578  0.16832948
   0.27050220  1.09889631  0.03291610
   0.67211830  0.31202948  0.85847193
   0.89259939  0.39740983  0.66343371
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930528    0.407593   -0.137078
    -0.000000    9.936239    0.037897
    -0.000000    0.000000   13.988359
   Si   O    H 
    32    64    10
Direct configuration=  2109
   0.18459572  0.17744590 -0.02845731
   0.34911890  0.09485882  0.36320339
   0.14287475  0.42296128  0.10989279
   0.36864265  0.35564844  0.24766604
   0.08658226  0.15988225  0.47859965
   0.39587539  0.13309193  0.84372770
   0.12375191  0.41374838  0.62113139
   0.38322303  0.37970156  0.75387308
   0.14043430  0.68271078 -0.01374514
   0.42373745  0.58296001  0.36717277
   0.08152368  0.89069881  0.14235463
   0.34505183  0.83001570  0.25085942
   0.18073976  0.64671502  0.48887828
   0.38986712  0.63072430  0.86333448
   0.06965653  0.90003648  0.60065285
   0.35190944  0.97717061  0.67576475
   0.62231049  0.12905667  1.00068641
   0.85112509  0.11489497  0.33660582
   0.62408355  0.40203572  0.11719773
   0.89880572  0.28885302  0.16352149
   0.61134015  0.15862110  0.48434404
   0.90662264  0.10390365  0.89090358
   0.60856585  0.42131147  0.61228115
   0.79210471  0.34552705  0.80737059
   0.63584543  0.66117143 -0.00157489
   0.91472899  0.58681572  0.38209511
   0.58530993  0.89721976  0.13233227
   0.84047537  0.84025751  0.25697790
   0.66358171  0.66228634  0.47723601
   0.87785331  0.62792165  0.87586634
   0.63382975  0.91137526  0.61718155
   0.84168883  0.86408021  0.75682331
   0.08845803  0.04974168  0.15773069
   0.34951069  0.19685725  0.26799850
   0.13823774  0.32629693  0.01768359
   0.35786670  0.43993741  0.34992104
   0.53220882  0.36747470  0.21498696
   0.28010622  0.41023534  0.16233663
   0.22404089  0.12319570  0.42681914
  -0.02407315  0.18502615  0.39433764
   0.01593789  0.04406291  0.54447347
   0.46903888  0.23796580  0.77203692
   0.09479105  0.30169753  0.53666741
   0.38109932  0.46335324  0.85458442
   0.47605906  0.44714780  0.66823865
   0.23564310  0.35181151  0.69322810
   0.24967723  0.20463852 -0.13168931
   0.04554677  0.10312844  0.94635976
   0.11574262  0.57844686  0.07794750
   0.40564998  0.67140853  0.27240692
   0.11256627  0.83073006  0.04033140
   0.34971237  0.93531057  0.33846823
   0.43346303  0.90278673  0.16901911
   0.19380952  0.82751813  0.22232291
   0.34516718  0.65553001  0.45676741
   0.07363532  0.58407984  0.41315604
   0.18567693  0.54427227  0.57821019
   0.34741782  0.70110513  0.76194042
   0.11716515  0.79806699  0.51151912
   0.36777934  0.98872797  0.79070506
   0.47163057  0.87764075  0.63063056
   0.19546019  0.91977730  0.67420513
   0.28336793  0.66552601 -0.05506263
   0.03374705  0.66259759  0.89874432
   0.60433995  0.04907408  0.09796922
   0.84302590  0.17733753  0.23407056
   0.60026494  0.28898530  0.03032205
   0.87927760  0.43557999  0.34726071
   0.03188126  0.37630036  0.18744158
   0.77702895  0.39978384  0.15646889
   0.72273826  0.13979088  0.39937863
   0.47272169  0.10992507  0.43161050
   0.65115417  0.06038681  0.57750341
   0.90047758  0.22115424  0.80404694
   0.60430199  0.31201203  0.52055125
   0.87007753  0.47195107  0.85126958
   0.98379660  0.46001140  0.67322452
   0.74666376  0.37432332  0.69524224
   0.77062647  0.10510956  0.94955017
   0.50543565  0.09220353  0.92495384
   0.58539508  0.54050835  0.06536851
   0.86307358  0.69095512  0.29695465
   0.59775468  0.80654216  0.04063602
   0.87774306  0.95387054  0.33508707
   0.92996370  0.85996821  0.16003075
   0.67804423  0.84864705  0.22094770
   0.82581845  0.65495470  0.46757514
   0.58754702  0.56993376  0.39319739
   0.63863254  0.57765465  0.58633880
   0.79037241  0.71720257  0.80030571
   0.58531666  0.81672173  0.46308922
   0.91709422  0.95528172  0.83554828
   0.94497910  0.84931517  0.66142111
   0.69809698  0.93263803  0.72767481
   0.79336189  0.63499092  0.97659406
   0.54774682  0.66237394  0.89936226
   0.73212523  0.81653162  0.57897194
   0.47849790  0.81033446  0.46575674
   0.93110115  0.20938186  0.07701631
   0.92835907  0.35505358  0.37315653
   0.32903267  0.09797579  0.61967847
   0.25325875  0.70634287  0.74929558
   0.18365443  1.07109672  0.16441997
   0.26654075  1.10388978  0.03330564
   0.66287596  0.31608171  0.86080105
   0.90020516  0.40429949  0.66472769
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931340    0.411705   -0.139249
    -0.000000    9.935500    0.036999
    -0.000000    0.000000   13.986881
   Si   O    H 
    32    64    10
Direct configuration=  2110
   0.18441833  0.17678445 -0.02862333
   0.34975674  0.09486628  0.36268267
   0.14178185  0.42242565  0.11059556
   0.36939605  0.35606200  0.24791692
   0.08630058  0.16025580  0.47908650
   0.39712361  0.13276559  0.84484622
   0.12504238  0.41355512  0.61971715
   0.38316806  0.38041990  0.75462121
   0.14104205  0.68124790 -0.01377777
   0.42355761  0.58188058  0.36755120
   0.08178361  0.89043606  0.14263647
   0.34423663  0.82972031  0.25027577
   0.18129761  0.64650593  0.48944345
   0.39044793  0.63115472  0.86301656
   0.06949539  0.90125890  0.60047120
   0.35285159  0.97638084  0.67575738
   0.62297945  0.12772750  1.00044473
   0.85013024  0.11549981  0.33758337
   0.62393717  0.40114024  0.11752449
   0.89720549  0.28915512  0.16295383
   0.61114731  0.15901796  0.48449204
   0.90705786  0.10465332  0.89037850
   0.60813755  0.42020082  0.61217818
   0.79240626  0.34406492  0.80869011
   0.63667230  0.65987050 -0.00279175
   0.91439796  0.58743838  0.38194504
   0.58486111  0.89785959  0.13280669
   0.83866250  0.84100936  0.25756973
   0.66352957  0.66273161  0.47720255
   0.87676132  0.62782324  0.87557290
   0.63455206  0.91230069  0.61716592
   0.84092262  0.86391420  0.75578913
   0.08855622  0.04940155  0.15638533
   0.35032563  0.19716029  0.26795756
   0.13922699  0.32674727  0.01737186
   0.35752369  0.44076106  0.35010897
   0.53241715  0.36661149  0.21392009
   0.28214506  0.40882224  0.16159653
   0.22353560  0.12389324  0.42719046
  -0.02471050  0.18595162  0.39418408
   0.01583824  0.04310312  0.54409490
   0.47100338  0.23787985  0.77306471
   0.09689468  0.30273716  0.53722073
   0.38084648  0.46397016  0.85339700
   0.47423622  0.44932401  0.66850003
   0.23636586  0.35142783  0.69340088
   0.24883320  0.20355916 -0.13304667
   0.04651485  0.10221814  0.94741166
   0.11548976  0.57559214  0.07769244
   0.40450429  0.67003027  0.27211721
   0.11257932  0.82994371  0.03987608
   0.35145596  0.93440550  0.33786559
   0.43333751  0.90293626  0.16797394
   0.19355963  0.82655086  0.22172306
   0.34682122  0.65583335  0.45579902
   0.07483504  0.58382905  0.41249685
   0.18539100  0.54503083  0.57777353
   0.34691181  0.70189515  0.76223469
   0.11877752  0.79625857  0.51161695
   0.36843737  0.98712018  0.79087434
   0.47164569  0.87791311  0.63043417
   0.19576640  0.91947798  0.67430636
   0.28524343  0.66416458 -0.05483574
   0.03355201  0.66245170  0.89762294
   0.60417535  0.04850841  0.09779354
   0.84299315  0.17870809  0.23346073
   0.60035295  0.28719583  0.03070557
   0.88049992  0.43573224  0.34743334
   0.03243232  0.37669552  0.18703954
   0.77733676  0.39823017  0.15639534
   0.72293184  0.13964303  0.39863435
   0.47378846  0.11030625  0.43245064
   0.65028477  0.06100444  0.57712908
   0.90093838  0.22270013  0.80543668
   0.60242866  0.31326394  0.51968959
   0.86955292  0.47210369  0.85130748
   0.98295214  0.45928808  0.67226188
   0.74564894  0.37300322  0.69403201
   0.77024066  0.10554641  0.95090660
   0.50573373  0.09400125  0.92435680
   0.58351950  0.54156909  0.06518603
   0.86274575  0.68957560  0.29762896
   0.59696244  0.80543365  0.04115956
   0.87733962  0.95507554  0.33549451
   0.93133768  0.85749468  0.16075867
   0.67904199  0.84858154  0.22115673
   0.82655737  0.65389551  0.46810259
   0.58594083  0.57094462  0.39337690
   0.63926774  0.57688871  0.58540337
   0.79114041  0.71870759  0.79955615
   0.58324922  0.81631935  0.46351481
   0.91845287  0.95543080  0.83437922
   0.94297709  0.85003372  0.66076921
   0.69764083  0.93194516  0.72707335
   0.79463409  0.63460316  0.97612473
   0.54763220  0.66237828  0.89885787
   0.74040681  0.80908386  0.57917176
   0.48410068  0.81454311  0.46140605
   0.93296565  0.21544746  0.07871083
   0.92837207  0.35706384  0.37191202
   0.33022282  0.10153955  0.62128636
   0.27537781  0.70113340  0.74005038
   0.18529687  1.07344808  0.16401428
   0.27091932  1.10480711  0.03566180
   0.65930327  0.32019625  0.85967763
   0.90743026  0.41555418  0.66530848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932760    0.415987   -0.141063
    -0.000000    9.934920    0.036086
    -0.000000    0.000000   13.985747
   Si   O    H 
    32    64    10
Direct configuration=  2111
   0.18343394  0.17702819 -0.02873337
   0.35082905  0.09510874  0.36228734
   0.14041517  0.42187696  0.11118734
   0.37123225  0.35592334  0.24865513
   0.08604584  0.16047527  0.47959946
   0.39821658  0.13228001  0.84617167
   0.12581644  0.41304344  0.61868991
   0.38294392  0.38126621  0.75452946
   0.14144134  0.67948678 -0.01372274
   0.42360991  0.58096291  0.36789678
   0.08227445  0.88971426  0.14280629
   0.34396410  0.82949939  0.24957533
   0.18163656  0.64572899  0.48955733
   0.39127132  0.63172311  0.86251618
   0.06955562  0.90204958  0.59998826
   0.35347019  0.97545774  0.67543752
   0.62360539  0.12629557  1.00003106
   0.84916690  0.11618268  0.33878550
   0.62319102  0.39991981  0.11776908
   0.89579492  0.28937420  0.16217555
   0.61119713  0.15938964  0.48422312
   0.90775794  0.10499801  0.88983624
   0.60770919  0.41941251  0.61222985
   0.79171401  0.34250413  0.80958033
   0.63670153  0.65846259 -0.00357137
   0.91401324  0.58696771  0.38179903
   0.58451134  0.89787346  0.13350546
   0.83635325  0.84125159  0.25793151
   0.66323959  0.66341017  0.47742504
   0.87551890  0.62768000  0.87540774
   0.63589921  0.91221126  0.61739672
   0.84057498  0.86434004  0.75508581
   0.08958443  0.04895581  0.15555838
   0.35079199  0.19721938  0.26795778
   0.14033043  0.32644228  0.01674096
   0.35665520  0.44144618  0.35057777
   0.53315155  0.36657807  0.21269969
   0.28513897  0.40733710  0.16077459
   0.22272432  0.12505756  0.42773950
  -0.02495415  0.18633893  0.39355783
   0.01702577  0.04170493  0.54305248
   0.47210509  0.23828156  0.77405667
   0.09885943  0.30340189  0.53758338
   0.38127805  0.46480119  0.85291137
   0.47246992  0.45135982  0.66869886
   0.23681026  0.35073394  0.69420202
   0.24767365  0.20216334 -0.13404920
   0.04672970  0.10179472  0.94807470
   0.11556771  0.57362903  0.07721191
   0.40372579  0.66934936  0.27193100
   0.11387841  0.82860453  0.03885063
   0.35387053  0.93363840  0.33750365
   0.43210488  0.90296820  0.16692032
   0.19261061  0.82497917  0.22054630
   0.34811390  0.65646727  0.45551687
   0.07597973  0.58381550  0.41232743
   0.18489904  0.54658813  0.57691679
   0.34932669  0.70339727  0.76329348
   0.12003544  0.79496071  0.51140521
   0.36921676  0.98626405  0.79142224
   0.47257070  0.87755671  0.63060100
   0.19630866  0.91923667  0.67410250
   0.28756261  0.66294543 -0.05428701
   0.03302009  0.66236063  0.89608660
   0.60403569  0.04776921  0.09789628
   0.84251737  0.17955314  0.23310106
   0.60014487  0.28523386  0.03094576
   0.88132409  0.43564293  0.34784352
   0.03318559  0.37658839  0.18661323
   0.77874984  0.39654732  0.15617326
   0.72299948  0.13968394  0.39853392
   0.47535722  0.11039966  0.43364362
   0.64946343  0.06181252  0.57666126
   0.90228665  0.22367326  0.80667936
   0.60137496  0.31421129  0.51952176
   0.86827133  0.47220630  0.85158938
   0.98343207  0.45962780  0.67096805
   0.74418846  0.37188284  0.69288271
   0.77014051  0.10628664  0.95243025
   0.50603058  0.09497322  0.92418986
   0.58208778  0.54282550  0.06484751
   0.86349910  0.68875847  0.29785060
   0.59649799  0.80447808  0.04142708
   0.87702264  0.95655260  0.33570309
   0.93180476  0.85528301  0.16167292
   0.68075404  0.84876261  0.22121888
   0.82742555  0.65269025  0.46832292
   0.58388294  0.57127648  0.39370503
   0.63947585  0.57571211  0.58376108
   0.79127054  0.71988759  0.79869374
   0.58147037  0.81590677  0.46388289
   0.91971005  0.95560536  0.83290710
   0.94171030  0.85043382  0.66038781
   0.69676459  0.93196981  0.72657387
   0.79598155  0.63421210  0.97612618
   0.54759585  0.66235116  0.89869068
   0.74424983  0.80631579  0.58045862
   0.49012444  0.81572337  0.45671964
   0.92980213  0.21963309  0.08020847
   0.93016987  0.35442787  0.37051982
   0.33253447  0.10605920  0.62108781
   0.24510110  0.69735865  0.71533574
   0.17876682  1.07474971  0.16362391
   0.28425517  1.10217571  0.04141470
   0.65566496  0.32558124  0.85691772
   0.89138243  0.41113812  0.66488726
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934233    0.420131   -0.142859
    -0.000000    9.934556    0.034927
    -0.000000    0.000000   13.984779
   Si   O    H 
    32    64    10
Direct configuration=  2112
   0.18267846  0.17726182 -0.02854081
   0.35212911  0.09594940  0.36195890
   0.13918969  0.42140114  0.11159920
   0.37347612  0.35587100  0.24927610
   0.08596045  0.16090139  0.48048729
   0.39871855  0.13121975  0.84700163
   0.12689328  0.41233642  0.61800784
   0.38259627  0.38172213  0.75397421
   0.14169699  0.67781529 -0.01321815
   0.42378736  0.58058253  0.36798033
   0.08322872  0.88918799  0.14249630
   0.34386228  0.82900600  0.24891567
   0.18185269  0.64494583  0.48918503
   0.39262821  0.63168424  0.86144419
   0.07037274  0.90251145  0.59932339
   0.35424598  0.97441947  0.67513549
   0.62438270  0.12553036  0.99951475
   0.84780077  0.11673221  0.33963119
   0.62256523  0.39866180  0.11797115
   0.89533707  0.29000184  0.16158366
   0.61067117  0.15878044  0.48428181
   0.90835434  0.10560993  0.88914345
   0.60848007  0.41823030  0.61257125
   0.79054057  0.34191871  0.80989268
   0.63662487  0.65773814 -0.00418158
   0.91375315  0.58653827  0.38146327
   0.58463019  0.89811900  0.13398636
   0.83434105  0.84132666  0.25857175
   0.66254561  0.66382206  0.47739592
   0.87462206  0.62763961  0.87538894
   0.63658028  0.91223312  0.61754214
   0.84062860  0.86471542  0.75417313
   0.08977822  0.04868334  0.15461193
   0.35101080  0.19702422  0.26790352
   0.14117862  0.32520182  0.01600531
   0.35549935  0.44098952  0.35067194
   0.53352577  0.36600695  0.21114205
   0.28751024  0.40598687  0.15970148
   0.22241261  0.12679555  0.42870125
  -0.02629063  0.18620884  0.39317053
   0.01811228  0.03984238  0.54259026
   0.47199143  0.23885393  0.77554301
   0.10108713  0.30369807  0.53752236
   0.38086163  0.46631048  0.85237058
   0.47037952  0.45245558  0.66941082
   0.23738137  0.34998694  0.69469359
   0.24684126  0.20111761 -0.13447934
   0.04662986  0.10187771  0.94842814
   0.11598327  0.57268484  0.07613591
   0.40228712  0.66971274  0.27111595
   0.11561652  0.82718667  0.03812091
   0.35606481  0.93400950  0.33705865
   0.43005840  0.90267720  0.16545828
   0.19170126  0.82371923  0.21950021
   0.34900542  0.65728062  0.45547836
   0.07719921  0.58465839  0.41218729
   0.18493934  0.54727572  0.57591747
   0.35098776  0.70466340  0.76433242
   0.12112018  0.79438545  0.51120135
   0.37073187  0.98592200  0.79277712
   0.47313846  0.87742300  0.63025072
   0.19752230  0.91830201  0.67248120
   0.28950378  0.66209466 -0.05299673
   0.03190124  0.66188478  0.89427073
   0.60436169  0.04756429  0.09807814
   0.84219837  0.18044383  0.23294923
   0.60032247  0.28349402  0.03167236
   0.88210965  0.43677085  0.34832108
   0.03352796  0.37628020  0.18669816
   0.77906798  0.39587223  0.15571431
   0.72235471  0.13931756  0.39890554
   0.47665983  0.11039292  0.43473692
   0.64853498  0.06269593  0.57624644
   0.90391052  0.22335212  0.80759924
   0.60086390  0.31520169  0.51995451
   0.86729587  0.47127023  0.85168910
   0.98312801  0.45867517  0.66976940
   0.74247449  0.37176603  0.69165758
   0.77009705  0.10667590  0.95365765
   0.50657341  0.09567071  0.92465174
   0.58187633  0.54284474  0.06520846
   0.86421816  0.68876757  0.29723945
   0.59592834  0.80315264  0.04188888
   0.87685752  0.95764879  0.33495943
   0.93183853  0.85287427  0.16195899
   0.68210483  0.84902171  0.22142010
   0.82839554  0.65158289  0.46886827
   0.58173829  0.57117538  0.39396700
   0.64014762  0.57541077  0.58237247
   0.79082036  0.72160854  0.79744807
   0.58148665  0.81546671  0.46434301
   0.92061139  0.95579048  0.83097807
   0.94070294  0.85074264  0.66001658
   0.69575854  0.93162850  0.72674878
   0.79770064  0.63393358  0.97577968
   0.54667847  0.66230789  0.89824323
   0.74370629  0.80651890  0.58289409
   0.48272022  0.81514753  0.45206638
   0.92826955  0.21853127  0.07677106
   0.93516986  0.34747329  0.37176776
   0.33921956  0.10548420  0.62047321
   0.22264824  0.69710277  0.69883795
   0.18143842  1.07753089  0.16594515
   0.29250868  1.10397783  0.04181361
   0.65595298  0.33112063  0.85520726
   0.88613160  0.41234683  0.66532091
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935243    0.423480   -0.145088
    -0.000000    9.934324    0.033765
    -0.000000    0.000000   13.983665
   Si   O    H 
    32    64    10
Direct configuration=  2113
   0.18224157  0.17777845 -0.02795880
   0.35394285  0.09613166  0.36178244
   0.13814733  0.42059535  0.11196522
   0.37617011  0.35620011  0.24988464
   0.08546807  0.16114945  0.48135278
   0.39888814  0.13003676  0.84752246
   0.12801050  0.41130101  0.61738188
   0.38221277  0.38185774  0.75330047
   0.14176255  0.67611578 -0.01302611
   0.42344871  0.58114490  0.36821748
   0.08359747  0.88879596  0.14216938
   0.34424563  0.82865961  0.24872537
   0.18276292  0.64362430  0.48848114
   0.39377632  0.63184169  0.86042910
   0.07115459  0.90276709  0.59887891
   0.35495216  0.97381863  0.67540378
   0.62433122  0.12517715  0.99862899
   0.84626448  0.11690522  0.34018584
   0.62182461  0.39781298  0.11818858
   0.89537117  0.29031468  0.16070228
   0.61022334  0.15852109  0.48425410
   0.90920583  0.10588320  0.88878316
   0.60863866  0.41749079  0.61270723
   0.78995692  0.34175162  0.81044904
   0.63684554  0.65752813 -0.00473905
   0.91434130  0.58582959  0.38113586
   0.58444783  0.89843513  0.13423877
   0.83302539  0.84049018  0.25863139
   0.66164101  0.66374149  0.47714196
   0.87356419  0.62820510  0.87523542
   0.63739531  0.91214308  0.61782135
   0.84077387  0.86542437  0.75329845
   0.09051936  0.04917324  0.15329799
   0.34988833  0.19651730  0.26862346
   0.14258321  0.32295727  0.01588289
   0.35381186  0.44046064  0.35055644
   0.53383686  0.36526629  0.21035594
   0.28936137  0.40457648  0.15877300
   0.22266966  0.12889720  0.42912966
  -0.02780037  0.18648952  0.39311714
   0.01926069  0.03871583  0.54212534
   0.47197537  0.23985610  0.77706353
   0.10232381  0.30360611  0.53754104
   0.38059956  0.46737374  0.85163916
   0.46842482  0.45344988  0.67000222
   0.23859705  0.35042200  0.69562840
   0.24616276  0.20007345 -0.13488520
   0.04682695  0.10225299  0.94913259
   0.11559719  0.57135006  0.07489762
   0.40068560  0.67037083  0.27055539
   0.11703451  0.82583949  0.03687422
   0.35849012  0.93460442  0.33701055
   0.42743523  0.90170562  0.16426530
   0.19149496  0.82221090  0.21835156
   0.34890019  0.65797455  0.45618810
   0.07825480  0.58489885  0.41183721
   0.18397757  0.54808991  0.57562812
   0.35220179  0.70593731  0.76524346
   0.12211083  0.79433361  0.51149320
   0.37164659  0.98516863  0.79374827
   0.47440797  0.87750139  0.62998147
   0.19857268  0.91866081  0.67122359
   0.29115190  0.66153967 -0.05168788
   0.03107493  0.66116650  0.89276003
   0.60535820  0.04761971  0.09864051
   0.84227115  0.18166444  0.23370614
   0.60020847  0.28188307  0.03268466
   0.88374145  0.43682421  0.34855041
   0.03406716  0.37511130  0.18662226
   0.77869216  0.39569341  0.15605568
   0.72128429  0.13963342  0.40046408
   0.47740065  0.11087878  0.43551636
   0.64799916  0.06355458  0.57566221
   0.90617070  0.22270313  0.80827791
   0.60004571  0.31713528  0.52015272
   0.86592114  0.47026132  0.85146318
   0.98221838  0.45698279  0.66887169
   0.74117856  0.37204913  0.69023381
   0.77036644  0.10624033  0.95473518
   0.50657617  0.09602538  0.92568671
   0.58106540  0.54286121  0.06574004
   0.86532733  0.68896213  0.29651555
   0.59517677  0.80141431  0.04233262
   0.87614695  0.95773509  0.33450649
   0.93127628  0.85114333  0.16228892
   0.68246829  0.85047946  0.22100360
   0.82870990  0.65047542  0.46919898
   0.57997876  0.57132624  0.39439397
   0.64134962  0.57471573  0.58033517
   0.79008834  0.72230265  0.79654101
   0.58163114  0.81429566  0.46504568
   0.92115657  0.95587912  0.82918744
   0.93975660  0.85115974  0.65982421
   0.69548677  0.93036954  0.72683178
   0.79855254  0.63389552  0.97561165
   0.54684629  0.66227338  0.89821670
   0.73844867  0.80884498  0.58607361
   0.47654177  0.81341502  0.44948767
   0.92828304  0.21807762  0.07143499
   0.93773005  0.34821714  0.37044838
   0.34477335  0.10241204  0.62461486
   0.20871750  0.69498574  0.68687118
   0.18343556  1.08226538  0.16750828
   0.29631728  1.10709193  0.03968684
   0.65943110  0.33504292  0.85554862
   0.89043676  0.41773220  0.66633205
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936092    0.427307   -0.147777
    -0.000000    9.934680    0.032393
    -0.000000    0.000000   13.982665
   Si   O    H 
    32    64    10
Direct configuration=  2114
   0.18242903  0.17824080 -0.02719625
   0.35490256  0.09577701  0.36165181
   0.13711225  0.41977236  0.11162124
   0.37828048  0.35618711  0.24985379
   0.08441672  0.16171945  0.48216618
   0.39852858  0.12862325  0.84795616
   0.12869900  0.41078843  0.61715859
   0.38226131  0.38169710  0.75245417
   0.14211341  0.67487068 -0.01303051
   0.42324334  0.58125855  0.36826286
   0.08466665  0.88889561  0.14185561
   0.34514170  0.82825734  0.24837870
   0.18347247  0.64252293  0.48782357
   0.39504913  0.63175482  0.85989815
   0.07180183  0.90192679  0.59850842
   0.35552185  0.97309023  0.67572854
   0.62470381  0.12476101  0.99818814
   0.84484103  0.11677592  0.34053912
   0.62116311  0.39726389  0.11795537
   0.89621160  0.29002729  0.15998890
   0.60969734  0.15799615  0.48400515
   0.90983018  0.10546990  0.88853874
   0.60879277  0.41682231  0.61285221
   0.78937248  0.34229497  0.81097033
   0.63639961  0.65781461 -0.00545980
   0.91471003  0.58568791  0.38095195
   0.58460300  0.89845502  0.13456044
   0.83199822  0.83968786  0.25878731
   0.66080260  0.66367329  0.47729418
   0.87272814  0.62797750  0.87524695
   0.63777884  0.91201018  0.61825393
   0.84139453  0.86625607  0.75273587
   0.09165702  0.04991847  0.15222583
   0.34868909  0.19541908  0.26894781
   0.14397633  0.32181919  0.01577377
   0.35196531  0.43930272  0.35004294
   0.53400802  0.36377293  0.20999707
   0.29038069  0.40400484  0.15807533
   0.22336530  0.13055187  0.42958987
  -0.02899815  0.18713627  0.39319224
   0.02048210  0.03785823  0.54130703
   0.47166507  0.23996453  0.77869865
   0.10326229  0.30402058  0.53729101
   0.38003800  0.46772766  0.85085623
   0.46684973  0.45422801  0.67096752
   0.23927684  0.35057097  0.69666021
   0.24617629  0.19981398 -0.13457427
   0.04715698  0.10353033  0.94955535
   0.11507818  0.56985927  0.07409525
   0.39970193  0.67103477  0.26974579
   0.11815224  0.82507264  0.03575394
   0.36116720  0.93530826  0.33718146
   0.42437911  0.90050319  0.16277649
   0.19093943  0.82063413  0.21801400
   0.34782863  0.65815735  0.45700834
   0.07941628  0.58498109  0.41193621
   0.18363260  0.54882219  0.57558578
   0.35276232  0.70722146  0.76529051
   0.12300662  0.79515655  0.51183568
   0.37236081  0.98483863  0.79448842
   0.47540454  0.87785848  0.62990698
   0.19993386  0.91823647  0.67017436
   0.29181709  0.66155776 -0.05027452
   0.03044253  0.66023295  0.89171313
   0.60677863  0.04716677  0.09898338
   0.84169127  0.18276125  0.23482646
   0.60087549  0.28131312  0.03390057
   0.88438205  0.43661556  0.34868576
   0.03408632  0.37403065  0.18658798
   0.77760182  0.39612719  0.15574813
   0.71976741  0.14049964  0.40220489
   0.47816687  0.11117173  0.43677401
   0.64719987  0.06464875  0.57562125
   0.90737204  0.22137588  0.80887999
   0.60002256  0.31872630  0.52039585
   0.86479942  0.46945650  0.85126328
   0.98193603  0.45511366  0.66769994
   0.73959115  0.37184976  0.68902640
   0.77211318  0.10693945  0.95624652
   0.50617888  0.09606934  0.92712208
   0.58011835  0.54239457  0.06649829
   0.86578832  0.68880416  0.29635204
   0.59499164  0.79981118  0.04245327
   0.87555311  0.95799164  0.33407101
   0.93006794  0.85024986  0.16261053
   0.68269875  0.85197226  0.22047065
   0.82870937  0.64945543  0.46927008
   0.57859739  0.57170783  0.39487250
   0.64285201  0.57469211  0.57843609
   0.78991527  0.72306590  0.79598051
   0.58086946  0.81269615  0.46614950
   0.92124940  0.95596655  0.82761300
   0.93880792  0.85134882  0.65895539
   0.69507711  0.92891241  0.72648158
   0.79874067  0.63556651  0.97585700
   0.54744056  0.66241382  0.89820161
   0.72948642  0.80959811  0.58919805
   0.47793581  0.81292238  0.44899916
   0.92691887  0.21725803  0.06617796
   0.93459414  0.35687555  0.37042329
   0.35130914  0.10247814  0.63116222
   0.20660218  0.69112120  0.68220179
   0.18361052  1.08350262  0.16760764
   0.29829484  1.11200873  0.03592754
   0.66323031  0.33421822  0.85886808
   0.89615200  0.42231842  0.66724500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937055    0.432117   -0.150293
    -0.000000    9.934938    0.031065
    -0.000000    0.000000   13.981460
   Si   O    H 
    32    64    10
Direct configuration=  2115
   0.18290467  0.17909587 -0.02623859
   0.35529143  0.09528720  0.36231816
   0.13629579  0.41828576  0.11134842
   0.38040010  0.35642855  0.24951197
   0.08367118  0.16257331  0.48235016
   0.39816469  0.12699991  0.84785999
   0.12963779  0.41006259  0.61750206
   0.38178406  0.38152456  0.75162647
   0.14228657  0.67432738 -0.01340718
   0.42305491  0.58207662  0.36867800
   0.08575208  0.88881047  0.14163216
   0.34521629  0.82778797  0.24809161
   0.18433005  0.64233613  0.48704288
   0.39689896  0.63230388  0.86006099
   0.07261053  0.90072321  0.59813570
   0.35620371  0.97206178  0.67594171
   0.62453032  0.12449636  0.99762663
   0.84407915  0.11698417  0.34052603
   0.62093235  0.39671062  0.11796071
   0.89749708  0.28938065  0.15876788
   0.60941463  0.15694031  0.48373031
   0.91030037  0.10451970  0.88852059
   0.60805632  0.41683044  0.61288921
   0.78886288  0.34261967  0.81164742
   0.63577296  0.65812203 -0.00610968
   0.91615704  0.58546459  0.38043166
   0.58426593  0.89885915  0.13454496
   0.83132734  0.83870623  0.25871538
   0.66003770  0.66347403  0.47737280
   0.87209317  0.62790185  0.87499680
   0.63777465  0.91148909  0.61836472
   0.84186090  0.86764427  0.75188976
   0.09313181  0.05128094  0.15065671
   0.34804449  0.19466983  0.26841646
   0.14511796  0.32082973  0.01629287
   0.35060802  0.43739660  0.34988628
   0.53336536  0.36282256  0.20997415
   0.29104721  0.40415192  0.15774427
   0.22355332  0.13214957  0.43021512
  -0.02998442  0.18788764  0.39375671
   0.02246748  0.03758276  0.54077444
   0.47051118  0.24040731  0.77996425
   0.10379933  0.30491210  0.53663303
   0.37991187  0.46760053  0.84971238
   0.46613263  0.45553689  0.67207106
   0.24078797  0.35062674  0.69752069
   0.24710675  0.19840141 -0.13445552
   0.04820535  0.10480245  0.94952251
   0.11444326  0.56833631  0.07326921
   0.39835599  0.67223362  0.26920218
   0.11893566  0.82434168  0.03483819
   0.36421867  0.93550601  0.33708755
   0.42140794  0.89960496  0.16080121
   0.19025478  0.81958515  0.21765138
   0.34638602  0.65854897  0.45739318
   0.07971874  0.58389344  0.41163749
   0.18352787  0.54876150  0.57538081
   0.35350574  0.70862237  0.76515063
   0.12380521  0.79566422  0.51196334
   0.37251859  0.98535353  0.79498147
   0.47655964  0.87753433  0.63002458
   0.20188535  0.91780984  0.66866333
   0.29217513  0.66204482 -0.04865107
   0.03080805  0.65846657  0.89095646
   0.60848304  0.04666094  0.09946910
   0.84121760  0.18467468  0.23577388
   0.60157397  0.28058494  0.03534888
   0.88380584  0.43668693  0.34935538
   0.03456384  0.37294749  0.18629464
   0.77614129  0.39788791  0.15487714
   0.71841306  0.14120230  0.40409186
   0.47794056  0.11146972  0.43757982
   0.64558421  0.06550751  0.57514628
   0.90883179  0.22039946  0.80917775
   0.60042645  0.31992190  0.52117592
   0.86354002  0.46855125  0.85120979
   0.98303394  0.45409853  0.66617769
   0.73800797  0.37174161  0.68831709
   0.77407400  0.10717405  0.95698105
   0.50527940  0.09568088  0.92895773
   0.57883851  0.54070196  0.06682543
   0.86569401  0.68894299  0.29638790
   0.59528638  0.79905080  0.04257256
   0.87480413  0.95841326  0.33361800
   0.92913448  0.84947459  0.16230547
   0.68282691  0.85290118  0.21988028
   0.82777723  0.64885057  0.46888434
   0.57796934  0.57240332  0.39556347
   0.64453557  0.57468921  0.57678413
   0.79021050  0.72445810  0.79551816
   0.58015565  0.81125072  0.46637359
   0.92112176  0.95724919  0.82697993
   0.93814434  0.85211078  0.65830495
   0.69423717  0.92773056  0.72616089
   0.79844449  0.63665689  0.97616050
   0.54762483  0.66152386  0.89807504
   0.72392299  0.80748271  0.59187836
   0.48843960  0.80838805  0.45084246
   0.92518481  0.21815554  0.06190984
   0.93297582  0.36355969  0.37287569
   0.35893707  0.10228280  0.63542327
   0.20901195  0.68761076  0.68301324
   0.18120880  1.08513464  0.16817971
   0.29643388  1.11643105  0.03020424
   0.66381421  0.33347969  0.86513541
   0.88952863  0.42247504  0.66575863
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937573    0.436987   -0.152518
    -0.000000    9.935845    0.029882
    -0.000000    0.000000   13.980677
   Si   O    H 
    32    64    10
Direct configuration=  2116
   0.18361745  0.17980849 -0.02551233
   0.35492689  0.09486050  0.36303972
   0.13597781  0.41776805  0.11078086
   0.38272319  0.35620299  0.24932236
   0.08225996  0.16302595  0.48225286
   0.39762382  0.12567514  0.84778412
   0.13056642  0.40908685  0.61824318
   0.38055018  0.38153608  0.75024031
   0.14265567  0.67415789 -0.01390685
   0.42233250  0.58286792  0.36887065
   0.08638452  0.88835303  0.14082478
   0.34495764  0.82703699  0.24835953
   0.18513517  0.64258134  0.48629998
   0.39865744  0.63278416  0.86011225
   0.07331834  0.89958230  0.59806211
   0.35669082  0.97100584  0.67623564
   0.62471759  0.12472886  0.99695409
   0.84364426  0.11775480  0.34059113
   0.62049797  0.39534723  0.11800710
   0.89943614  0.28821542  0.15749044
   0.60942719  0.15635298  0.48368005
   0.91039316  0.10327111  0.88895573
   0.60750527  0.41756478  0.61317630
   0.78795738  0.34250174  0.81223048
   0.63557861  0.65786553 -0.00659109
   0.91770349  0.58563545  0.37991643
   0.58320527  0.89922384  0.13430682
   0.83085969  0.83781561  0.25884099
   0.65848059  0.66260220  0.47725276
   0.87156587  0.62765833  0.87522205
   0.63793538  0.91159423  0.61874908
   0.84239555  0.86939136  0.75096346
   0.09488897  0.05283198  0.14968881
   0.34730067  0.19398666  0.26768002
   0.14600317  0.32025705  0.01694769
   0.34991264  0.43591545  0.34978317
   0.53297564  0.36234699  0.21071870
   0.29028870  0.40441422  0.15767853
   0.22433384  0.13253533  0.43069223
  -0.03096190  0.18930515  0.39463681
   0.02423058  0.03745416  0.53982201
   0.46958919  0.24054579  0.78130961
   0.10362970  0.30493198  0.53609987
   0.37859637  0.46725852  0.84837460
   0.46636384  0.45604768  0.67239808
   0.24135445  0.34985275  0.69817586
   0.24738315  0.19721927 -0.13426002
   0.04855576  0.10674359  0.94911604
   0.11396923  0.56723363  0.07267697
   0.39726804  0.67281321  0.26913458
   0.11939941  0.82325809  0.03347876
   0.36686790  0.93573583  0.33691192
   0.41921259  0.89931254  0.15902350
   0.18923353  0.81879434  0.21671401
   0.34494555  0.65912658  0.45753542
   0.07937963  0.58265195  0.41130778
   0.18364930  0.54830016  0.57537708
   0.35367932  0.70919916  0.76488799
   0.12530008  0.79556979  0.51195568
   0.37249408  0.98577415  0.79506328
   0.47717800  0.87676403  0.63021295
   0.20437267  0.91722752  0.66705726
   0.29324631  0.66245858 -0.04746173
   0.03125008  0.65623707  0.88989164
   0.61011072  0.04649551  0.09972631
   0.84042294  0.18605199  0.23689076
   0.60210774  0.28020223  0.03725457
   0.88232899  0.43830646  0.34996103
   0.03387725  0.37146949  0.18698618
   0.77496394  0.39988292  0.15417364
   0.71717840  0.14188288  0.40634064
   0.47705592  0.11184701  0.43799826
   0.64394283  0.06655579  0.57481477
   0.90933968  0.22045359  0.80927661
   0.59994179  0.32099566  0.52187497
   0.86231497  0.46809427  0.85132660
   0.98509491  0.45311907  0.66459150
   0.73718004  0.37181783  0.68795052
   0.77612852  0.10709742  0.95750590
   0.50354295  0.09535594  0.93076276
   0.57801761  0.53899782  0.06704014
   0.86556398  0.68930951  0.29617207
   0.59557018  0.79865059  0.04286324
   0.87448057  0.95791177  0.33273035
   0.92839800  0.84903243  0.16252243
   0.68243811  0.85403918  0.21943887
   0.82674450  0.64838467  0.46773689
   0.57832710  0.57272159  0.39619091
   0.64577506  0.57424883  0.57576318
   0.79113981  0.72621588  0.79551165
   0.58058944  0.80973377  0.46660530
   0.92102214  0.95890118  0.82688842
   0.93817786  0.85303162  0.65803814
   0.69426010  0.92702775  0.72541765
   0.79754430  0.63787523  0.97638097
   0.54847350  0.66051196  0.89757277
   0.72590150  0.80011489  0.59088111
   0.49102044  0.80525860  0.45074321
   0.91932109  0.22492633  0.06235987
   0.93697321  0.35531686  0.37731443
   0.36844897  0.10423682  0.63537520
   0.21607159  0.68241321  0.68459826
   0.17658866  1.08689380  0.16765219
   0.29116453  1.11966539  0.02630736
   0.66312133  0.33294025  0.87032386
   0.88459100  0.42256246  0.66237223
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938160    0.441819   -0.154140
    -0.000000    9.937116    0.028523
    -0.000000    0.000000   13.980360
   Si   O    H 
    32    64    10
Direct configuration=  2117
   0.18384874  0.18062678 -0.02501755
   0.35502263  0.09432390  0.36389952
   0.13618590  0.41718785  0.11007234
   0.38417955  0.35605720  0.24898129
   0.08092679  0.16352293  0.48219360
   0.39660249  0.12455155  0.84747928
   0.13191044  0.40869634  0.61939526
   0.37957515  0.38118473  0.74923253
   0.14292206  0.67398922 -0.01479793
   0.42123996  0.58326275  0.36906975
   0.08651962  0.88744122  0.14014696
   0.34502280  0.82613357  0.24864364
   0.18589122  0.64297490  0.48543514
   0.40001797  0.63331095  0.86041203
   0.07368579  0.89813866  0.59788206
   0.35735091  0.97038715  0.67707081
   0.62469121  0.12546782  0.99618952
   0.84324702  0.11863904  0.34073821
   0.62050321  0.39428369  0.11781635
   0.90133589  0.28684540  0.15586537
   0.60942493  0.15577184  0.48402166
   0.91035340  0.10170979  0.88931291
   0.60708235  0.41855325  0.61329758
   0.78664010  0.34256421  0.81298236
   0.63524056  0.65741947 -0.00704025
   0.91918981  0.58575000  0.37948133
   0.58166966  0.89925207  0.13392374
   0.83088771  0.83791490  0.25871895
   0.65765696  0.66125396  0.47716757
   0.87098209  0.62733101  0.87574364
   0.63848699  0.91174069  0.61882588
   0.84219710  0.87106652  0.75070208
   0.09648467  0.05329302  0.14862526
   0.34720109  0.19421982  0.26741083
   0.14645290  0.32033503  0.01773047
   0.34950134  0.43462375  0.34974732
   0.53218182  0.36177313  0.21205316
   0.28942483  0.40492738  0.15726293
   0.22494132  0.13228163  0.43113419
  -0.03189012  0.19094741  0.39564146
   0.02560422  0.03692084  0.53887089
   0.46815994  0.24131715  0.78281233
   0.10283325  0.30518552  0.53522458
   0.37705070  0.46735598  0.84693014
   0.46761365  0.45658310  0.67248615
   0.24166409  0.34827240  0.69845668
   0.24769673  0.19554678 -0.13357720
   0.04773719  0.10884085  0.94903864
   0.11309661  0.56588860  0.07190393
   0.39640562  0.67411133  0.26904754
   0.12051071  0.82191100  0.03309660
   0.36962680  0.93508298  0.33658579
   0.41762793  0.89856536  0.15708515
   0.18788977  0.81778970  0.21596376
   0.34349118  0.65984124  0.45765913
   0.07885481  0.58154549  0.41054401
   0.18289926  0.54806854  0.57532522
   0.35361847  0.70997414  0.76493072
   0.12785160  0.79471610  0.51176232
   0.37242871  0.98670158  0.79473906
   0.47698806  0.87611756  0.63063501
   0.20646824  0.91627060  0.66516045
   0.29405047  0.66333774 -0.04678074
   0.03276993  0.65407660  0.88921444
   0.61171805  0.04571325  0.09980926
   0.84017492  0.18691018  0.23731030
   0.60273861  0.27980634  0.03955581
   0.88125289  0.43968543  0.35053615
   0.03273361  0.37002928  0.18788559
   0.77364268  0.40222100  0.15368076
   0.71678420  0.14232460  0.40799582
   0.47533827  0.11309616  0.43743824
   0.64302370  0.06653878  0.57460177
   0.90869396  0.22027977  0.80928440
   0.59958825  0.32131497  0.52318816
   0.86228613  0.46855675  0.85118190
   0.98648057  0.45224335  0.66324614
   0.73738751  0.37235782  0.68774058
   0.77789922  0.10704318  0.95815033
   0.50241981  0.09561491  0.93189540
   0.57741963  0.53779794  0.06665872
   0.86500409  0.68940839  0.29603912
   0.59617074  0.79923364  0.04282441
   0.87371523  0.95743411  0.33221600
   0.92748295  0.84892414  0.16237695
   0.68225426  0.85470087  0.21961682
   0.82466100  0.64775453  0.46641096
   0.57903705  0.57288133  0.39693805
   0.64639043  0.57426765  0.57494861
   0.79340738  0.72807968  0.79640223
   0.58181351  0.80822926  0.46691187
   0.92175492  0.96020218  0.82693812
   0.93834413  0.85499918  0.65725629
   0.69402904  0.92629702  0.72531448
   0.79566423  0.63890379  0.97647903
   0.54959836  0.65917434  0.89703725
   0.72940147  0.79678543  0.58754082
   0.48152480  0.80378789  0.45071213
   0.91519574  0.23710687  0.06438448
   0.93634664  0.35494380  0.38076739
   0.37510944  0.10606072  0.63268160
   0.22780671  0.67434612  0.68924929
   0.18261312  1.09319772  0.16962421
   0.29043834  1.12010541  0.02503631
   0.66569995  0.33226897  0.87202980
   0.88710332  0.42425174  0.65817940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938967    0.446755   -0.155470
    -0.000000    9.938224    0.027362
    -0.000000    0.000000   13.980210
   Si   O    H 
    32    64    10
Direct configuration=  2118
   0.18437772  0.18044366 -0.02503001
   0.35510834  0.09332083  0.36458086
   0.13734849  0.41719177  0.10982870
   0.38538843  0.35570949  0.24843108
   0.07952048  0.16446130  0.48255867
   0.39542288  0.12379771  0.84712540
   0.13249617  0.40850599  0.62029322
   0.37877144  0.38132773  0.74782311
   0.14304757  0.67371940 -0.01570562
   0.42012469  0.58379807  0.36890297
   0.08686465  0.88651944  0.13968509
   0.34510945  0.82622555  0.24836916
   0.18615657  0.64378296  0.48471231
   0.40097045  0.63306577  0.86103234
   0.07365234  0.89686890  0.59729015
   0.35803601  0.96952434  0.67763699
   0.62523238  0.12651792  0.99595587
   0.84313304  0.11919549  0.34084723
   0.62035797  0.39304237  0.11762435
   0.90271267  0.28552836  0.15493610
   0.60956699  0.15613798  0.48480312
   0.91089588  0.10037119  0.89018294
   0.60690404  0.42017208  0.61370977
   0.78512378  0.34272599  0.81349318
   0.63478416  0.65623710 -0.00727283
   0.92002197  0.58609052  0.37884229
   0.58021820  0.89886525  0.13372705
   0.83152229  0.83775796  0.25863992
   0.65713402  0.65989917  0.47709690
   0.87047816  0.62667284  0.87633721
   0.63868839  0.91181557  0.61832597
   0.84247908  0.87215108  0.75048116
   0.09831086  0.05367043  0.14773849
   0.34678476  0.19451600  0.26749987
   0.14662363  0.32072062  0.01818845
   0.34930127  0.43335257  0.34944110
   0.53236292  0.36137750  0.21336671
   0.28823563  0.40474853  0.15667581
   0.22610409  0.13200573  0.43169331
  -0.03287463  0.19148340  0.39674877
   0.02673714  0.03599232  0.53819693
   0.46694031  0.24255460  0.78399824
   0.10137038  0.30493768  0.53456511
   0.37620386  0.46789189  0.84583892
   0.46858525  0.45755538  0.67239944
   0.24153588  0.34698171  0.69834404
   0.24794051  0.19325168 -0.13277944
   0.04633055  0.11065325  0.94907113
   0.11245457  0.56464248  0.07115070
   0.39511322  0.67578644  0.26884415
   0.12148744  0.82087527  0.03313732
   0.37227673  0.93424968  0.33685829
   0.41595417  0.89824474  0.15539939
   0.18626109  0.81602261  0.21557170
   0.34197107  0.66065792  0.45710457
   0.07762114  0.58017751  0.40982680
   0.18125691  0.54750900  0.57539193
   0.35384981  0.71046948  0.76479864
   0.13091872  0.79418807  0.51201438
   0.37282856  0.98679027  0.79456468
   0.47661774  0.87491403  0.63094764
   0.20796686  0.91554125  0.66335434
   0.29408459  0.66383779 -0.04652149
   0.03447944  0.65250758  0.88921075
   0.61297715  0.04468429  0.09963695
   0.84000076  0.18742584  0.23760616
   0.60386736  0.27879991  0.04174569
   0.88095711  0.44021417  0.35122130
   0.03152624  0.36908740  0.18805928
   0.77292716  0.40374948  0.15296606
   0.71762415  0.14257530  0.40904161
   0.47259159  0.11360762  0.43608755
   0.64342557  0.06565454  0.57457071
   0.90842409  0.22021543  0.80933915
   0.59961766  0.32098360  0.52385163
   0.86173844  0.46979151  0.85057693
   0.98765796  0.45181454  0.66256333
   0.73696988  0.37315267  0.68738588
   0.77923228  0.10689281  0.95865639
   0.50165982  0.09588612  0.93277545
   0.57635902  0.53743111  0.06610864
   0.86397122  0.68927665  0.29629981
   0.59761543  0.79983429  0.04253526
   0.87354329  0.95718363  0.33250053
   0.92661665  0.84933003  0.16225976
   0.68173861  0.85444435  0.21966455
   0.82210710  0.64710788  0.46547755
   0.57996655  0.57309015  0.39772616
   0.64686143  0.57391398  0.57453529
   0.79602830  0.72951570  0.79726486
   0.58229184  0.80654060  0.46701323
   0.92174945  0.96158015  0.82751737
   0.93796509  0.85669489  0.65726746
   0.69423180  0.92599570  0.72563390
   0.79486351  0.63960258  0.97691997
   0.55181952  0.65791963  0.89690511
   0.73114879  0.79542825  0.58464695
   0.47624926  0.80300333  0.45250712
   0.91135856  0.24375033  0.06145518
   0.93084192  0.36324675  0.38214009
   0.37809566  0.10590984  0.63285401
   0.24664310  0.66816676  0.69759224
   0.18510925  1.09605834  0.16927308
   0.29643880  1.11793177  0.02821228
   0.66714375  0.33199034  0.87405843
   0.89601842  0.42744028  0.65348171
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940018    0.451495   -0.156602
    -0.000000    9.939318    0.026217
    -0.000000    0.000000   13.980256
   Si   O    H 
    32    64    10
Direct configuration=  2119
   0.18471850  0.18039054 -0.02565431
   0.35494495  0.09313722  0.36455436
   0.13842822  0.41758936  0.10946525
   0.38625482  0.35468701  0.24792003
   0.07781991  0.16524497  0.48325363
   0.39444505  0.12386308  0.84679060
   0.13301535  0.40862076  0.62073105
   0.37818469  0.38149721  0.74661862
   0.14312103  0.67334062 -0.01645722
   0.41879205  0.58466791  0.36840165
   0.08758900  0.88579854  0.13911947
   0.34552281  0.82654839  0.24805800
   0.18635568  0.64442264  0.48370304
   0.40227244  0.63255779  0.86182275
   0.07359109  0.89548242  0.59703673
   0.35881512  0.96908950  0.67837664
   0.62622505  0.12801023  0.99614172
   0.84322138  0.12016245  0.34098450
   0.61978982  0.39192805  0.11773968
   0.90387410  0.28484099  0.15431068
   0.60956325  0.15702964  0.48543384
   0.91098341  0.09942891  0.89076339
   0.60715689  0.42184261  0.61440015
   0.78309276  0.34321081  0.81366575
   0.63419939  0.65406460 -0.00737126
   0.92082850  0.58688972  0.37850353
   0.57874037  0.89868485  0.13371987
   0.83263668  0.83754399  0.25849517
   0.65666680  0.65826412  0.47710531
   0.86985488  0.62615919  0.87655789
   0.63827536  0.91219069  0.61827736
   0.84281185  0.87312671  0.75059883
   0.10105180  0.05422748  0.14701584
   0.34573798  0.19434387  0.26779891
   0.14710801  0.32171601  0.01855109
   0.34867332  0.43233837  0.34889767
   0.53356906  0.36106273  0.21450967
   0.28767579  0.40374295  0.15635145
   0.22721902  0.13192981  0.43238536
  -0.03348086  0.19203890  0.39741239
   0.02820553  0.03555938  0.53706762
   0.46593637  0.24327802  0.78480102
   0.09953263  0.30490871  0.53417323
   0.37502148  0.46873289  0.84525928
   0.46984653  0.45795936  0.67159330
   0.24017250  0.34544513  0.69775878
   0.24776752  0.19134659 -0.13170757
   0.04468343  0.11180213  0.94946177
   0.11210920  0.56391318  0.06980842
   0.39392348  0.67722203  0.26863778
   0.12210557  0.82088729  0.03359485
   0.37487293  0.93279728  0.33679112
   0.41426661  0.89835786  0.15444113
   0.18446915  0.81383709  0.21530725
   0.34049175  0.66167447  0.45666614
   0.07668064  0.57979080  0.40888939
   0.18012599  0.54705770  0.57550420
   0.35477665  0.71092030  0.76390274
   0.13434188  0.79401497  0.51169924
   0.37299904  0.98661316  0.79466028
   0.47538217  0.87316086  0.63104785
   0.20862430  0.91505575  0.66125223
   0.29496446  0.66432009 -0.04762408
   0.03664116  0.65107544  0.88933670
   0.61388788  0.04288639  0.09913266
   0.83901145  0.18830010  0.23792014
   0.60443062  0.27654389  0.04305358
   0.88080007  0.44036317  0.35169879
   0.03040373  0.36849359  0.18799027
   0.77276675  0.40474822  0.15227339
   0.71893311  0.14310964  0.40972325
   0.47053437  0.11446406  0.43572180
   0.64488515  0.06441934  0.57452248
   0.90761629  0.21959479  0.80997579
   0.59944427  0.31976373  0.52399727
   0.86176326  0.46989901  0.85013337
   0.98956517  0.45108841  0.66211894
   0.73703312  0.37307327  0.68728310
   0.78020301  0.10666261  0.95943661
   0.49989936  0.09487215  0.93326840
   0.57523725  0.53650388  0.06542210
   0.86428723  0.68890375  0.29657573
   0.59965876  0.80020829  0.04193653
   0.87348952  0.95626347  0.33221711
   0.92565511  0.85058100  0.16216105
   0.67976288  0.85446193  0.21991870
   0.82001482  0.64634374  0.46397642
   0.58105929  0.57311220  0.39865035
   0.64616800  0.57391031  0.57402683
   0.79944059  0.73054529  0.79812258
   0.58190928  0.80563618  0.46710536
   0.92141122  0.96361667  0.82848055
   0.93834837  0.85805958  0.65770522
   0.69501294  0.92603910  0.72643305
   0.79353686  0.64032223  0.97759932
   0.55377030  0.65709647  0.89596479
   0.73166738  0.79963319  0.58069171
   0.48274771  0.80234512  0.45758357
   0.90808344  0.24396246  0.05492399
   0.92586038  0.37010037  0.38195006
   0.37901906  0.10019113  0.63128398
   0.27054784  0.66206349  0.70983678
   0.18239528  1.09433396  0.16762832
   0.30157627  1.11659551  0.03216363
   0.66809787  0.33032604  0.87397182
   0.90187813  0.42752940  0.64937886
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941455    0.456488   -0.156796
    -0.000000    9.940389    0.024520
    -0.000000    0.000000   13.980813
   Si   O    H 
    32    64    10
Direct configuration=  2120
   0.18477842  0.18063868 -0.02628521
   0.35354638  0.09300800  0.36439284
   0.13929328  0.41762364  0.10921022
   0.38643305  0.35314883  0.24738700
   0.07609877  0.16598344  0.48357522
   0.39401321  0.12405349  0.84595757
   0.13362192  0.40906619  0.62136316
   0.37814703  0.38114567  0.74585437
   0.14318147  0.67363419 -0.01716920
   0.41765628  0.58625200  0.36777530
   0.08711717  0.88502600  0.13827055
   0.34590999  0.82683650  0.24738342
   0.18563866  0.64531511  0.48274235
   0.40272466  0.63181568  0.86254002
   0.07316881  0.89442890  0.59671654
   0.35940902  0.96941911  0.67909881
   0.62778000  0.12904152  0.99671773
   0.84326604  0.12109311  0.34123726
   0.61980984  0.39158432  0.11814646
   0.90507190  0.28422945  0.15354404
   0.60911548  0.15862759  0.48651832
   0.91106072  0.09914243  0.89140351
   0.60735526  0.42363259  0.61472800
   0.78091053  0.34390241  0.81302623
   0.63387491  0.65218143 -0.00741442
   0.92155571  0.58771213  0.37823718
   0.57678681  0.89830777  0.13339444
   0.83416723  0.83752945  0.25805958
   0.65675899  0.65693625  0.47691738
   0.86923831  0.62547002  0.87665176
   0.63794413  0.91299489  0.61808520
   0.84290123  0.87365240  0.75023186
   0.10343390  0.05355107  0.14601271
   0.34474465  0.19479345  0.26786916
   0.14751953  0.32270703  0.01872654
   0.34798756  0.43158937  0.34808219
   0.53426034  0.36017871  0.21551135
   0.28734203  0.40322041  0.15605437
   0.22783997  0.13129497  0.43317553
  -0.03402619  0.19249420  0.39836425
   0.02954931  0.03422838  0.53623643
   0.46532472  0.24417709  0.78496299
   0.09739040  0.30562718  0.53371103
   0.37440715  0.47025915  0.84468912
   0.47094608  0.45723826  0.67030365
   0.23844921  0.34493833  0.69737047
   0.24718452  0.18911790 -0.13112911
   0.04310681  0.11241875  0.94957671
   0.11236419  0.56425990  0.06829687
   0.39308753  0.67840484  0.26872227
   0.12212634  0.82186281  0.03383672
   0.37728545  0.93045917  0.33639124
   0.41249572  0.89834826  0.15362824
   0.18326953  0.81069146  0.21548742
   0.33960251  0.66260096  0.45628599
   0.07582708  0.57954321  0.40794752
   0.17924838  0.54634292  0.57622948
   0.35568362  0.71067019  0.76282851
   0.13819657  0.79504993  0.51231293
   0.37344875  0.98653417  0.79455452
   0.47459311  0.87213753  0.63076613
   0.20775996  0.91498566  0.65929623
   0.29629825  0.66466010 -0.04855695
   0.03878950  0.65052195  0.88976842
   0.61502091  0.04232529  0.09855906
   0.83863166  0.18882772  0.23839998
   0.60463950  0.27413704  0.04340177
   0.87932443  0.44071560  0.35185135
   0.03000149  0.36796145  0.18777328
   0.77304871  0.40566463  0.15188917
   0.72068797  0.14384534  0.41046322
   0.47041933  0.11567059  0.43591685
   0.64641724  0.06262958  0.57450892
   0.90671823  0.21963840  0.81060843
   0.59845442  0.31821319  0.52363850
   0.86217976  0.47002616  0.84968912
   0.99161555  0.45103508  0.66224397
   0.73729525  0.37336446  0.68733438
   0.78065503  0.10663808  0.96043804
   0.49824435  0.09384102  0.93393083
   0.57430159  0.53635197  0.06476226
   0.86531960  0.68930509  0.29657800
   0.60173173  0.79991171  0.04177329
   0.87346627  0.95575264  0.33210486
   0.92536211  0.85241398  0.16219982
   0.67861129  0.85408074  0.22011066
   0.81767243  0.64620632  0.46216959
   0.58155309  0.57362020  0.39876269
   0.64508897  0.57380040  0.57374886
   0.80198240  0.73168193  0.79890154
   0.58148133  0.80419439  0.46667009
   0.92062829  0.96452771  0.82916178
   0.94047894  0.85958937  0.65808012
   0.69579024  0.92637623  0.72735540
   0.79219315  0.64087886  0.97802994
   0.55543354  0.65669898  0.89483744
   0.73178268  0.80998170  0.58043435
   0.49167904  0.80196521  0.46448796
   0.90644642  0.24705618  0.05001203
   0.92771073  0.36184891  0.38454992
   0.37645414  0.09645890  0.63115846
   0.30089410  0.65766768  0.72879953
   0.18169562  1.09666921  0.16931441
   0.30533150  1.11510826  0.03695275
   0.66842192  0.33169620  0.87607838
   0.89740139  0.42112420  0.64616935
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943024    0.462188   -0.156391
    -0.000000    9.941521    0.022723
    -0.000000    0.000000   13.981267
   Si   O    H 
    32    64    10
Direct configuration=  2121
   0.18511775  0.18086865 -0.02699005
   0.35191158  0.09310296  0.36405236
   0.14035586  0.41761350  0.10922317
   0.38689968  0.35170940  0.24718503
   0.07524443  0.16664273  0.48394902
   0.39367821  0.12424929  0.84547289
   0.13403343  0.40943511  0.62188192
   0.37844719  0.38082418  0.74534677
   0.14329273  0.67407051 -0.01747047
   0.41709115  0.58803615  0.36685122
   0.08637290  0.88425595  0.13714661
   0.34571541  0.82741536  0.24676929
   0.18513063  0.64571178  0.48242220
   0.40252015  0.63110779  0.86301406
   0.07224839  0.89360877  0.59666440
   0.35939410  0.96897376  0.67977965
   0.62846433  0.13013507  0.99741249
   0.84344613  0.12150838  0.34143364
   0.61989221  0.39126848  0.11827536
   0.90541623  0.28334660  0.15285127
   0.60807138  0.16034088  0.48737591
   0.91114567  0.09872526  0.89123167
   0.60801983  0.42581810  0.61483589
   0.77926095  0.34494955  0.81199712
   0.63352854  0.65083264 -0.00714658
   0.92146639  0.58842733  0.37828568
   0.57567942  0.89724080  0.13285278
   0.83540921  0.83757305  0.25789809
   0.65696926  0.65625075  0.47712167
   0.86844806  0.62489930  0.87693625
   0.63733243  0.91347709  0.61766019
   0.84276332  0.87389084  0.75018763
   0.10505738  0.05237312  0.14513890
   0.34453668  0.19449413  0.26788369
   0.14887835  0.32397373  0.01866556
   0.34883690  0.43100396  0.34691498
   0.53538150  0.35948234  0.21635351
   0.28731717  0.40254656  0.15603093
   0.22801579  0.13086688  0.43426546
  -0.03468236  0.19355461  0.39947047
   0.03121239  0.03295536  0.53591856
   0.46434250  0.24430588  0.78500781
   0.09533671  0.30652426  0.53312334
   0.37369723  0.47090683  0.84442591
   0.47202409  0.45677968  0.66920011
   0.23667771  0.34449378  0.69679817
   0.24647363  0.18679247 -0.13039034
   0.04232400  0.11288677  0.95022334
   0.11240467  0.56491311  0.06627005
   0.39253928  0.67905399  0.26946103
   0.12249487  0.82288483  0.03407335
   0.37892054  0.92934501  0.33541984
   0.41119367  0.89844297  0.15293762
   0.18253664  0.80791016  0.21603122
   0.33938289  0.66305985  0.45580138
   0.07595084  0.58015414  0.40712954
   0.17903296  0.54656185  0.57670398
   0.35741614  0.71093741  0.76202459
   0.14175578  0.79531210  0.51265066
   0.37447779  0.98658752  0.79480978
   0.47420945  0.87080026  0.63093622
   0.20745058  0.91456239  0.65710232
   0.29821889  0.66447018 -0.05004476
   0.04092614  0.65024869  0.89065797
   0.61706603  0.04258296  0.09851402
   0.83841261  0.18912355  0.23860366
   0.60454900  0.27277262  0.04359951
   0.87735864  0.44064071  0.35215824
   0.03062447  0.36745662  0.18748897
   0.77368350  0.40623289  0.15175714
   0.72202501  0.14462245  0.41063048
   0.47082503  0.11629970  0.43686305
   0.64806536  0.06170304  0.57454232
   0.90557287  0.22078319  0.81101762
   0.59714337  0.31675570  0.52363439
   0.86284155  0.47060853  0.84903686
   0.99252239  0.45163987  0.66250320
   0.73818297  0.37332897  0.68798733
   0.78081105  0.10620587  0.96115666
   0.49651591  0.09216393  0.93399336
   0.57391132  0.53546276  0.06375704
   0.86578821  0.69013863  0.29653332
   0.60415868  0.79957390  0.04134127
   0.87272834  0.95582582  0.33216406
   0.92548322  0.85464000  0.16204716
   0.67627601  0.85359617  0.22043378
   0.81605126  0.64625961  0.46100386
   0.58076052  0.57299735  0.39862500
   0.64395459  0.57342442  0.57390913
   0.80559210  0.73215716  0.79929249
   0.58238717  0.80303256  0.46614022
   0.92086161  0.96513936  0.82972107
   0.94321566  0.86073005  0.65780803
   0.69526026  0.92775288  0.72789790
   0.79086752  0.64078699  0.97873456
   0.55704069  0.65619990  0.89320384
   0.73189481  0.82069281  0.58227022
   0.47860531  0.80483051  0.46919818
   0.90315814  0.24822640  0.05040949
   0.92611262  0.35618479  0.38433292
   0.37172315  0.09277548  0.62995623
   0.31563905  0.64790403  0.73729376
   0.18267418  1.09650255  0.17262212
   0.30349442  1.11662560  0.04030456
   0.66514246  0.33110424  0.87698111
   0.89801243  0.41282993  0.64357886
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944236    0.467560   -0.156197
    -0.000000    9.942284    0.020917
    -0.000000    0.000000   13.981966
   Si   O    H 
    32    64    10
Direct configuration=  2122
   0.18577116  0.18114510 -0.02726072
   0.35044259  0.09298151  0.36378312
   0.14130079  0.41790305  0.10900606
   0.38706134  0.35060243  0.24674812
   0.07494660  0.16666712  0.48390794
   0.39318473  0.12478007  0.84489855
   0.13398770  0.40981949  0.62208321
   0.37930353  0.38000440  0.74504307
   0.14347737  0.67432994 -0.01778998
   0.41714106  0.58889858  0.36576259
   0.08572861  0.88294224  0.13655372
   0.34542809  0.82823186  0.24593986
   0.18481706  0.64610337  0.48242060
   0.40192616  0.63011708  0.86371265
   0.07114370  0.89284526  0.59619421
   0.35936427  0.96799066  0.68065034
   0.62917293  0.13057252  0.99870677
   0.84428980  0.12153057  0.34143626
   0.61981605  0.39170011  0.11845161
   0.90504742  0.28294710  0.15231711
   0.60772379  0.16106788  0.48821290
   0.91108700  0.09867670  0.89069038
   0.60872656  0.42653733  0.61503364
   0.77765291  0.34577657  0.81101564
   0.63308930  0.64962746 -0.00622174
   0.92118014  0.58881475  0.37868792
   0.57502106  0.89588785  0.13223827
   0.83605333  0.83785365  0.25732149
   0.65753718  0.65508624  0.47757157
   0.86876476  0.62448407  0.87727599
   0.63599544  0.91403203  0.61721022
   0.84320884  0.87365931  0.75039920
   0.10657551  0.05073120  0.14448304
   0.34468216  0.19378638  0.26754964
   0.14944640  0.32446401  0.01815791
   0.35035872  0.43130675  0.34595616
   0.53592168  0.35877428  0.21723969
   0.28741880  0.40144675  0.15637387
   0.22714370  0.13015978  0.43488551
  -0.03481980  0.19470611  0.40018362
   0.03228215  0.03187424  0.53566250
   0.46311469  0.24502034  0.78493819
   0.09353733  0.30757482  0.53285565
   0.37277101  0.47204341  0.84355168
   0.47270695  0.45594443  0.66792182
   0.23506892  0.34473513  0.69656718
   0.24495261  0.18409535 -0.12953106
   0.04191749  0.11301426  0.95081826
   0.11238141  0.56538725  0.06438996
   0.39249291  0.67969491  0.27028122
   0.12314445  0.82281093  0.03372776
   0.38011561  0.92780006  0.33416079
   0.41027170  0.89823281  0.15245848
   0.18214472  0.80614126  0.21661810
   0.33926249  0.66403919  0.45558367
   0.07801926  0.58052076  0.40675204
   0.17860862  0.54736781  0.57709855
   0.35933877  0.71265880  0.76230105
   0.14524860  0.79520550  0.51312486
   0.37597682  0.98610578  0.79504636
   0.47468925  0.86975648  0.63047356
   0.20773716  0.91471561  0.65529609
   0.29972666  0.66412403 -0.05120134
   0.04211692  0.65026431  0.89091150
   0.61871703  0.04259953  0.09839470
   0.83763516  0.18947611  0.23902432
   0.60374238  0.27194033  0.04411751
   0.87641566  0.43996731  0.35294976
   0.03160217  0.36700706  0.18739523
   0.77486219  0.40646093  0.15170716
   0.72222680  0.14627017  0.41131093
   0.47124993  0.11669212  0.43812541
   0.64987999  0.06085607  0.57520167
   0.90395873  0.22234024  0.81106902
   0.59547666  0.31546682  0.52385453
   0.86364524  0.47108540  0.84872724
   0.99235683  0.45232570  0.66273679
   0.73890766  0.37351539  0.68868552
   0.78099356  0.10579094  0.96208777
   0.49539128  0.09106383  0.93421481
   0.57362478  0.53496052  0.06309997
   0.86636103  0.69052901  0.29661043
   0.60609307  0.79902131  0.04138963
   0.87167589  0.95660408  0.33237505
   0.92588127  0.85688420  0.16196346
   0.67424477  0.85376144  0.22110400
   0.81514994  0.64614858  0.46016236
   0.57934109  0.57234482  0.39773568
   0.64303484  0.57282321  0.57423314
   0.80891039  0.73236745  0.79955740
   0.58279581  0.80194545  0.46603045
   0.92064590  0.96560769  0.82991319
   0.94530551  0.86125826  0.65718053
   0.69430739  0.92873027  0.72807468
   0.79063516  0.64068329  0.97878059
   0.55852767  0.65571702  0.89169993
   0.73510243  0.82936695  0.58322087
   0.47207619  0.80860945  0.47100268
   0.90247792  0.24901573  0.05192683
   0.91965159  0.35632768  0.38337849
   0.37009310  0.09413015  0.62785327
   0.30960744  0.61471565  0.72985681
   0.18672341  1.09389779  0.17471560
   0.29635665  1.11994223  0.04164667
   0.66197773  0.32853212  0.87514975
   0.90999604  0.40912144  0.64375312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945440    0.473187   -0.155957
    -0.000000    9.942848    0.019017
    -0.000000    0.000000   13.982420
   Si   O    H 
    32    64    10
Direct configuration=  2123
   0.18636125  0.18158494 -0.02753232
   0.34899208  0.09262110  0.36340109
   0.14189004  0.41801612  0.10890105
   0.38711633  0.34960533  0.24646104
   0.07544806  0.16631025  0.48377076
   0.39273532  0.12554487  0.84486619
   0.13346553  0.40923601  0.62193716
   0.37933759  0.37921042  0.74444393
   0.14439368  0.67465769 -0.01795556
   0.41728990  0.58908820  0.36494461
   0.08517600  0.88190007  0.13567350
   0.34453913  0.82927253  0.24496182
   0.18397884  0.64594935  0.48221102
   0.40188995  0.62936795  0.86453800
   0.07047107  0.89262378  0.59565040
   0.35926406  0.96683800  0.68167638
   0.62979234  0.13058601  0.99968081
   0.84476826  0.12169325  0.34155981
   0.62007058  0.39299575  0.11840213
   0.90409101  0.28311423  0.15154878
   0.60782796  0.16169165  0.48924453
   0.91122162  0.09871770  0.89021259
   0.60975745  0.42675503  0.61495870
   0.77666238  0.34670968  0.80998150
   0.63227528  0.64888691 -0.00545024
   0.92053958  0.58952925  0.37905798
   0.57482023  0.89408141  0.13181194
   0.83659708  0.83846866  0.25641972
   0.65813914  0.65368121  0.47799328
   0.86953970  0.62373924  0.87734637
   0.63418747  0.91463731  0.61628118
   0.84389011  0.87363401  0.75057182
   0.10796681  0.04933351  0.14360878
   0.34501307  0.19204556  0.26737145
   0.14914378  0.32473979  0.01800183
   0.35329522  0.43210316  0.34466829
   0.53635296  0.35834535  0.21763674
   0.28802253  0.40050288  0.15719936
   0.22563384  0.12919343  0.43482343
  -0.03524493  0.19531908  0.40100086
   0.03343393  0.03056226  0.53584966
   0.46188261  0.24558095  0.78479865
   0.09201431  0.30823589  0.53349021
   0.37259265  0.47217276  0.84250294
   0.47233833  0.45512025  0.66729573
   0.23460004  0.34395774  0.69614232
   0.24328525  0.18163159 -0.12914363
   0.04176899  0.11211729  0.95174647
   0.11246948  0.56621390  0.06265042
   0.39421972  0.68015436  0.27083278
   0.12368728  0.82210258  0.03289368
   0.38030856  0.92722975  0.33324922
   0.40980349  0.89789221  0.15253541
   0.18230020  0.80517904  0.21660500
   0.33873433  0.66521819  0.45488992
   0.08005311  0.58053726  0.40709723
   0.17817049  0.54840985  0.57693563
   0.36065355  0.71369651  0.76298093
   0.14775935  0.79552881  0.51300701
   0.37769841  0.98502270  0.79452465
   0.47529048  0.86995526  0.63019201
   0.20867180  0.91491717  0.65412768
   0.30054291  0.66339185 -0.05186235
   0.04345363  0.65035914  0.89097940
   0.62014670  0.04320047  0.09813405
   0.83721194  0.18923545  0.23872278
   0.60300015  0.27132427  0.04369703
   0.87520694  0.43932193  0.35387791
   0.03281316  0.36571533  0.18684668
   0.77570598  0.40651645  0.15151327
   0.72248690  0.14901989  0.41195753
   0.47122445  0.11695276  0.43984254
   0.65081884  0.06119388  0.57609866
   0.90153028  0.22424410  0.81106353
   0.59400565  0.31440809  0.52400329
   0.86341341  0.47262847  0.84817956
   0.99240061  0.45279081  0.66311042
   0.73854277  0.37386646  0.68933567
   0.78089378  0.10577374  0.96264560
   0.49501848  0.09051238  0.93384143
   0.57415310  0.53398970  0.06293420
   0.86746299  0.69070492  0.29655460
   0.60805878  0.79878714  0.04141709
   0.87048539  0.95743041  0.33262957
   0.92730208  0.85915895  0.16156632
   0.67252374  0.85406956  0.22272565
   0.81472583  0.64654197  0.45908815
   0.57670802  0.57132898  0.39695919
   0.64128827  0.57236701  0.57426973
   0.81262799  0.73210189  0.80002913
   0.58291098  0.80099809  0.46585169
   0.92047114  0.96647441  0.83014170
   0.94710344  0.86090164  0.65696315
   0.69277757  0.92978533  0.72842651
   0.79096798  0.64100944  0.97852919
   0.55944517  0.65573755  0.88996476
   0.74564641  0.83134697  0.58174180
   0.48334763  0.80997765  0.47513153
   0.90535118  0.25269350  0.05342049
   0.91296497  0.35951546  0.38234495
   0.36777894  0.09702339  0.62830346
   0.31043665  0.60090023  0.72454021
   0.18528462  1.08946772  0.17346052
   0.28559753  1.12422728  0.04244884
   0.66096242  0.32320667  0.87227968
   0.92320757  0.40480291  0.64181246
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946326    0.478710   -0.156554
    -0.000000    9.943529    0.017056
    -0.000000    0.000000   13.982730
   Si   O    H 
    32    64    10
Direct configuration=  2124
   0.18699835  0.18111719 -0.02717631
   0.34757464  0.09239971  0.36298107
   0.14330959  0.41855309  0.10866594
   0.38651365  0.34876931  0.24613898
   0.07597737  0.16558846  0.48332539
   0.39288363  0.12589624  0.84487926
   0.13247467  0.40918097  0.62130158
   0.37972412  0.37845534  0.74417122
   0.14535168  0.67485381 -0.01789162
   0.41762303  0.58828002  0.36462579
   0.08451690  0.88108057  0.13513796
   0.34330097  0.83028718  0.24363890
   0.18293181  0.64540190  0.48265877
   0.40249432  0.62868818  0.86571127
   0.07034862  0.89257135  0.59478911
   0.35894250  0.96548599  0.68227908
   0.63017206  0.13047384  1.00055780
   0.84588321  0.12170758  0.34100485
   0.62005872  0.39365364  0.11849613
   0.90324700  0.28353146  0.15146383
   0.60826847  0.16196400  0.49011662
   0.91114928  0.09878852  0.88993568
   0.61114889  0.42662801  0.61430926
   0.77652126  0.34671589  0.80915033
   0.63130888  0.64852549 -0.00471295
   0.92044316  0.59025733  0.37957406
   0.57446318  0.89281639  0.13135928
   0.83673048  0.83961999  0.25564651
   0.65839655  0.65205114  0.47842630
   0.87074694  0.62311630  0.87800679
   0.63191485  0.91477341  0.61562749
   0.84435230  0.87394427  0.75063118
   0.10877900  0.04784047  0.14271314
   0.34540197  0.19043597  0.26749500
   0.14815387  0.32430502  0.01755768
   0.35637682  0.43319788  0.34336188
   0.53710824  0.35828822  0.21728158
   0.28902284  0.39966782  0.15785512
   0.22507341  0.12927705  0.43477391
  -0.03584031  0.19503858  0.40162798
   0.03390815  0.02941281  0.53681906
   0.46025289  0.24618553  0.78431898
   0.09070396  0.30949906  0.53448818
   0.37291230  0.47134603  0.84150862
   0.47119398  0.45477304  0.66694334
   0.23490235  0.34300616  0.69567486
   0.24142182  0.17930546 -0.12906321
   0.04147075  0.11129012  0.95301022
   0.11356875  0.56706748  0.06159432
   0.39634250  0.68071728  0.27130129
   0.12392941  0.82076899  0.03177232
   0.38031301  0.92812535  0.33280549
   0.40959846  0.89786201  0.15234809
   0.18311696  0.80403717  0.21724813
   0.33815436  0.66655271  0.45398194
   0.08196651  0.58056385  0.40691216
   0.17743846  0.54899160  0.57665586
   0.36116497  0.71330768  0.76338119
   0.14961505  0.79641699  0.51324153
   0.37828690  0.98458946  0.79431589
   0.47522674  0.87009400  0.63000363
   0.20990747  0.91558469  0.65319015
   0.30144195  0.66230722 -0.05250992
   0.04397843  0.65066242  0.89146297
   0.62125278  0.04415174  0.09836522
   0.83694587  0.18842369  0.23796897
   0.60199144  0.27076106  0.04314160
   0.87396493  0.44032816  0.35485945
   0.03436092  0.36370193  0.18634256
   0.77713787  0.40671157  0.15093863
   0.72267946  0.15200941  0.41223432
   0.47150809  0.11603505  0.44130124
   0.65155516  0.06208150  0.57694653
   0.89892025  0.22590978  0.81107531
   0.59249051  0.31398740  0.52515503
   0.86210636  0.47425274  0.84735671
   0.99235577  0.45277250  0.66383789
   0.73866035  0.37388861  0.68979834
   0.78071716  0.10546834  0.96317975
   0.49430174  0.09063326  0.93331899
   0.57412657  0.53314183  0.06261867
   0.86939199  0.69067844  0.29592507
   0.60934996  0.79869677  0.04134101
   0.86878575  0.95775745  0.33338874
   0.92906738  0.86158974  0.16121211
   0.67022636  0.85332312  0.22447332
   0.81420400  0.64775036  0.45822589
   0.57448491  0.57007198  0.39602157
   0.63985936  0.57192295  0.57451846
   0.81561998  0.73130153  0.80053522
   0.58238267  0.80057097  0.46549943
   0.91979712  0.96606108  0.83042745
   0.94825320  0.86049481  0.65635214
   0.69184598  0.93128729  0.72918744
   0.79189215  0.64149522  0.97848082
   0.56073104  0.65471734  0.88888695
   0.75766635  0.83066388  0.57905817
   0.49951976  0.80922504  0.47831677
   0.91317716  0.25296175  0.05177005
   0.90691470  0.35623187  0.38342304
   0.36305445  0.10129431  0.62787601
   0.31746919  0.60552358  0.72395252
   0.18177186  1.08428589  0.17087119
   0.27835251  1.12773779  0.04344425
   0.66541148  0.31888454  0.86702276
   0.92474314  0.39612716  0.63768206
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947504    0.484168   -0.157573
    -0.000000    9.944234    0.014994
    -0.000000    0.000000   13.982995
   Si   O    H 
    32    64    10
Direct configuration=  2125
   0.18688320  0.18071569 -0.02628863
   0.34584557  0.09204041  0.36293519
   0.14426185  0.41830740  0.10864826
   0.38574988  0.34783102  0.24587215
   0.07688696  0.16516942  0.48296976
   0.39379945  0.12607798  0.84497940
   0.13149471  0.40969882  0.62044561
   0.38028661  0.37762662  0.74342438
   0.14607088  0.67471975 -0.01780599
   0.41834364  0.58690622  0.36483651
   0.08395099  0.87992345  0.13488173
   0.34164525  0.83055990  0.24244370
   0.18180662  0.64569450  0.48311962
   0.40268286  0.62826811  0.86666258
   0.07140470  0.89168420  0.59387949
   0.35844168  0.96437762  0.68309480
   0.63043210  0.13029582  1.00119146
   0.84673270  0.12146051  0.34070298
   0.61978901  0.39379489  0.11862681
   0.90204326  0.28436485  0.15121087
   0.60879877  0.16207273  0.49051965
   0.91124012  0.09919547  0.88958357
   0.61250275  0.42608773  0.61313897
   0.77658138  0.34696304  0.80822105
   0.63070356  0.64838947 -0.00392434
   0.91974609  0.59071417  0.37935902
   0.57336543  0.89220791  0.13087779
   0.83679839  0.84067871  0.25506408
   0.65847590  0.65100368  0.47896634
   0.87216198  0.62305048  0.87871531
   0.63020697  0.91498033  0.61514014
   0.84459863  0.87421444  0.75058071
   0.10833193  0.04558540  0.14140963
   0.34557909  0.18885271  0.26810815
   0.14722633  0.32313590  0.01719656
   0.35936486  0.43382392  0.34260221
   0.53846740  0.35905318  0.21665428
   0.29022130  0.39892096  0.15859802
   0.22431351  0.12896910  0.43474361
  -0.03576581  0.19451464  0.40202247
   0.03467928  0.02864473  0.53754199
   0.45877315  0.24693478  0.78376230
   0.08878298  0.31029190  0.53521692
   0.37306454  0.46998585  0.84010594
   0.46888848  0.45418027  0.66685528
   0.23512638  0.34145206  0.69549413
   0.24034675  0.17786148 -0.13007220
   0.04241904  0.11047181  0.95402912
   0.11445102  0.56810712  0.06109169
   0.39880298  0.68119208  0.27212760
   0.12437203  0.81968041  0.03106576
   0.37965009  0.92891315  0.33302925
   0.40931950  0.89798349  0.15224681
   0.18457039  0.80360873  0.21790735
   0.33823829  0.66652562  0.45266195
   0.08301658  0.58063023  0.40679696
   0.17726952  0.55036147  0.57594499
   0.36156521  0.71152098  0.76341575
   0.15050320  0.79705319  0.51367482
   0.37868465  0.98415331  0.79436104
   0.47587282  0.87017243  0.62981446
   0.21043759  0.91569114  0.65239665
   0.30288274  0.66168502 -0.05290083
   0.04400006  0.65228437  0.89160972
   0.62202890  0.04433284  0.09897061
   0.83702766  0.18749669  0.23722658
   0.60192631  0.27166527  0.04288901
   0.87244733  0.44167059  0.35556573
   0.03645128  0.36154868  0.18567726
   0.77825506  0.40617573  0.15018784
   0.72276251  0.15483509  0.41263727
   0.47174989  0.11537367  0.44253981
   0.65191134  0.06357189  0.57784830
   0.89666257  0.22806016  0.81047923
   0.59077501  0.31420460  0.52714726
   0.86029581  0.47560705  0.84615742
   0.99220919  0.45246467  0.66466682
   0.73834979  0.37372901  0.69062642
   0.78033602  0.10473416  0.96304002
   0.49405193  0.09050364  0.93265908
   0.57415004  0.53192170  0.06215257
   0.87189662  0.68998004  0.29502913
   0.61014870  0.79843397  0.04135132
   0.86733301  0.95823797  0.33419083
   0.93035964  0.86371320  0.16052006
   0.66867073  0.85111723  0.22614620
   0.81403044  0.64920071  0.45748259
   0.57288083  0.56903351  0.39541358
   0.63884119  0.57157865  0.57495267
   0.81876440  0.73127113  0.80044114
   0.58441039  0.79982687  0.46484890
   0.91934633  0.96466946  0.83068392
   0.94839049  0.86053756  0.65608329
   0.69041362  0.93290569  0.73038145
   0.79307305  0.64180316  0.97827448
   0.56158507  0.65372242  0.88728939
   0.76332602  0.82815499  0.57676306
   0.47788010  0.81344910  0.48423277
   0.92170166  0.25042730  0.04955088
   0.90282941  0.35180978  0.38571407
   0.35803865  0.10262285  0.62769528
   0.32861770  0.62407552  0.72676396
   0.18653548  1.08331706  0.17152838
   0.27741202  1.12716893  0.04593779
   0.66672116  0.31553770  0.86221855
   0.92462986  0.39167795  0.63261751
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948558    0.489431   -0.158741
    -0.000000    9.944425    0.012586
    -0.000000    0.000000   13.982992
   Si   O    H 
    32    64    10
Direct configuration=  2126
   0.18722670  0.17994846 -0.02481006
   0.34442463  0.09126460  0.36298485
   0.14510532  0.41861245  0.10871281
   0.38449398  0.34719363  0.24546268
   0.07748255  0.16484589  0.48261584
   0.39452269  0.12582264  0.84488814
   0.13056538  0.40988345  0.61957052
   0.38043024  0.37789344  0.74292239
   0.14730597  0.67397909 -0.01824609
   0.41964821  0.58499204  0.36477891
   0.08305526  0.87818387  0.13424342
   0.34002434  0.83086436  0.24122258
   0.18112622  0.64591614  0.48347836
   0.40339887  0.62708853  0.86795524
   0.07304150  0.89084530  0.59300989
   0.35782318  0.96296257  0.68324155
   0.63049396  0.12974162  1.00159122
   0.84708064  0.12146028  0.34065889
   0.61946138  0.39365531  0.11886235
   0.90064088  0.28531277  0.15074760
   0.60950208  0.16261251  0.49055589
   0.91106469  0.09973806  0.88919164
   0.61311277  0.42571499  0.61193752
   0.77697221  0.34708399  0.80699357
   0.63030586  0.64798514 -0.00357770
   0.91848575  0.59096232  0.37952493
   0.57234893  0.89213850  0.13049851
   0.83668324  0.84167396  0.25446564
   0.65822462  0.65008192  0.47936680
   0.87347696  0.62346037  0.87895475
   0.62956182  0.91487195  0.61488936
   0.84460591  0.87430995  0.75043563
   0.10783676  0.04266868  0.13970170
   0.34564939  0.18658549  0.26889907
   0.14555435  0.32217719  0.01658417
   0.36126505  0.43481760  0.34298313
   0.54026327  0.35980630  0.21604450
   0.29129103  0.39852206  0.15920995
   0.22331217  0.12962499  0.43438936
  -0.03569371  0.19361756  0.40227742
   0.03540806  0.02828524  0.53784244
   0.45818036  0.24686456  0.78302829
   0.08615427  0.31084236  0.53550118
   0.37311644  0.46931230  0.83892779
   0.46667674  0.45413709  0.66641018
   0.23585582  0.33997934  0.69548286
   0.23997621  0.17650434 -0.13173357
   0.04340872  0.10952760  0.95534346
   0.11459080  0.56885762  0.06087091
   0.40108150  0.68195899  0.27220922
   0.12395584  0.81993612  0.03031160
   0.37883741  0.92972998  0.33305372
   0.40952109  0.89881283  0.15218178
   0.18544428  0.80282676  0.21833660
   0.33897281  0.66578229  0.45125329
   0.08370975  0.58099906  0.40648470
   0.17789103  0.55167063  0.57527049
   0.36219043  0.70876717  0.76342316
   0.15079397  0.79783810  0.51390693
   0.37909078  0.98355613  0.79408847
   0.47616481  0.87072534  0.62987023
   0.21178620  0.91572438  0.65184714
   0.30345490  0.66073983 -0.05282029
   0.04376583  0.65322061  0.89209361
   0.62230541  0.04303230  0.09979836
   0.83754868  0.18636524  0.23651257
   0.60151654  0.27356754  0.04259259
   0.87084044  0.44310345  0.35656153
   0.03776764  0.35994025  0.18494820
   0.77908535  0.40557639  0.14928530
   0.72238998  0.15822132  0.41225047
   0.47150641  0.11418915  0.44256376
   0.65156403  0.06515257  0.57935823
   0.89486744  0.22910536  0.81025639
   0.58949708  0.31463246  0.52901155
   0.85947399  0.47598147  0.84550310
   0.99124649  0.45145874  0.66512847
   0.73740704  0.37417877  0.69141030
   0.77985534  0.10415566  0.96270044
   0.49463624  0.08943143  0.93192993
   0.57462606  0.52971333  0.06184068
   0.87485522  0.69011907  0.29377601
   0.61176290  0.79774710  0.04090403
   0.86603099  0.95789634  0.33521928
   0.93145636  0.86615629  0.16049441
   0.66737902  0.84955550  0.22757029
   0.81383524  0.65040320  0.45776654
   0.57168610  0.56840661  0.39445603
   0.63752352  0.57144317  0.57571615
   0.82110019  0.73054877  0.80078849
   0.58537767  0.79990722  0.46481922
   0.91960095  0.96319366  0.83089828
   0.94785402  0.86017717  0.65650643
   0.68995520  0.93484917  0.73096507
   0.79344693  0.64253754  0.97784626
   0.56283916  0.65228032  0.88623490
   0.75815173  0.82979745  0.57491201
   0.47207453  0.81443259  0.48605979
   0.92794623  0.24776625  0.04825353
   0.89987281  0.35154097  0.38854107
   0.35432606  0.10316429  0.62850859
   0.34144345  0.65090456  0.72949435
   0.18865032  1.08425630  0.17416376
   0.27987452  1.12714943  0.04764370
   0.66100557  0.31255163  0.85938678
   0.92764778  0.39432706  0.63072460
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949434    0.494291   -0.159666
    -0.000000    9.945343    0.009997
    -0.000000    0.000000   13.982480
   Si   O    H 
    32    64    10
Direct configuration=  2127
   0.18707150  0.17848318 -0.02341810
   0.34362247  0.09062724  0.36320067
   0.14548291  0.41872346  0.10867922
   0.38357554  0.34566690  0.24491217
   0.07877551  0.16446199  0.48204306
   0.39474473  0.12543248  0.84441924
   0.12910853  0.41045550  0.61906225
   0.38076116  0.37839138  0.74257870
   0.14823475  0.67363468 -0.01895817
   0.42084846  0.58342266  0.36498476
   0.08201178  0.87687934  0.13361818
   0.33842174  0.83070028  0.24016367
   0.18109002  0.64602202  0.48350272
   0.40518581  0.62645443  0.86857717
   0.07528834  0.89009181  0.59252157
   0.35677030  0.96179756  0.68260530
   0.63018374  0.12918701  1.00228068
   0.84756459  0.12108556  0.34111576
   0.61914820  0.39373390  0.11920215
   0.89959459  0.28606309  0.15066625
   0.60991139  0.16315480  0.49023472
   0.91081920  0.10108916  0.88876917
   0.61328864  0.42485402  0.61140444
   0.77748866  0.34723817  0.80543295
   0.63048104  0.64752020 -0.00350787
   0.91746652  0.59108628  0.37953214
   0.57095236  0.89232552  0.13016609
   0.83651335  0.84231527  0.25398061
   0.65811366  0.64891621  0.47928773
   0.87509668  0.62404789  0.87885140
   0.62914772  0.91497145  0.61462967
   0.84538951  0.87464012  0.75051271
   0.10784505  0.03920891  0.13828517
   0.34638009  0.18453621  0.26963003
   0.14396455  0.32151469  0.01574724
   0.36230968  0.43516572  0.34360937
   0.54211398  0.35965516  0.21522583
   0.29210745  0.39834228  0.15940002
   0.22221824  0.13102262  0.43415353
  -0.03605572  0.19278759  0.40261463
   0.03633209  0.02905764  0.53771878
   0.45820998  0.24632921  0.78237222
   0.08369896  0.31110947  0.53538476
   0.37253435  0.46914713  0.83820456
   0.46502984  0.45403060  0.66552955
   0.23707309  0.33813259  0.69507816
   0.24096355  0.17558666 -0.13353579
   0.04397001  0.10857590  0.95618478
   0.11459293  0.56990435  0.06092403
   0.40294326  0.68356868  0.27205816
   0.12392340  0.82019847  0.02933503
   0.37821357  0.93092896  0.33353263
   0.40901700  0.89956043  0.15240968
   0.18628473  0.80224362  0.21797850
   0.33954152  0.66470565  0.45044849
   0.08442777  0.58163522  0.40634063
   0.17825544  0.55178785  0.57445991
   0.36469403  0.70865869  0.76538616
   0.15119397  0.79910655  0.51424728
   0.37935976  0.98300944  0.79416302
   0.47602949  0.87169554  0.62976446
   0.21338567  0.91594403  0.65192881
   0.30316378  0.65994331 -0.05259973
   0.04348675  0.65395939  0.89237502
   0.62300797  0.04098340  0.10114600
   0.83852927  0.18515084  0.23598235
   0.60077807  0.27608429  0.04236595
   0.86887603  0.44361426  0.35737125
   0.03900302  0.35922435  0.18371126
   0.78015855  0.40497064  0.14799136
   0.72184885  0.16104527  0.41160468
   0.47047148  0.11247946  0.44238717
   0.65128834  0.06668298  0.58068894
   0.89385969  0.22975086  0.80991497
   0.58750326  0.31552902  0.53044380
   0.85844150  0.47546627  0.84497773
   0.98977019  0.45139854  0.66591025
   0.73571384  0.37503747  0.69260496
   0.77938512  0.10358228  0.96225833
   0.49565953  0.08851313  0.93178813
   0.57556800  0.52815545  0.06207035
   0.87752843  0.69104470  0.29190635
   0.61286330  0.79696177  0.04075469
   0.86532479  0.95740345  0.33608393
   0.93242220  0.86833541  0.16036000
   0.66664621  0.84743133  0.22851168
   0.81386246  0.65167997  0.45797861
   0.57092305  0.56687102  0.39369635
   0.63514971  0.57206779  0.57611838
   0.82343109  0.72940716  0.80090379
   0.58609432  0.80066595  0.46566036
   0.92084252  0.96144051  0.83133176
   0.94827063  0.85957737  0.65747211
   0.68879620  0.93678516  0.73119104
   0.79315676  0.64371827  0.97752086
   0.56449034  0.65170780  0.88518618
   0.74794273  0.83258189  0.57442655
   0.48142411  0.80988267  0.48301844
   0.93412197  0.24301261  0.04984974
   0.89813455  0.35765330  0.39070722
   0.35177873  0.10020799  0.63231842
   0.33540383  0.63774617  0.70460355
   0.17944721  1.08013831  0.17352018
   0.28270985  1.12326834  0.04927151
   0.65421718  0.31169921  0.85747506
   0.93270599  0.39967417  0.63080958
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950078    0.498396   -0.160670
    -0.000000    9.946470    0.007750
    -0.000000    0.000000   13.981569
   Si   O    H 
    32    64    10
Direct configuration=  2128
   0.18669656  0.17703053 -0.02194292
   0.34326039  0.09004612  0.36330853
   0.14588907  0.41935635  0.10875285
   0.38357949  0.34477222  0.24469397
   0.08002161  0.16390436  0.48135670
   0.39535641  0.12489166  0.84389486
   0.12776225  0.41117649  0.61900208
   0.38054456  0.37874817  0.74274781
   0.14886022  0.67400401 -0.01963829
   0.42138831  0.58195720  0.36486857
   0.08122563  0.87582761  0.13294261
   0.33734684  0.83022856  0.23933711
   0.18107536  0.64595884  0.48357467
   0.40668995  0.62542696  0.86866389
   0.07646687  0.88979880  0.59199863
   0.35610829  0.96072590  0.68186866
   0.62991248  0.12931479  1.00249640
   0.84801408  0.12036852  0.34156406
   0.61913935  0.39338772  0.11973393
   0.89816959  0.28705596  0.15070043
   0.61041095  0.16322226  0.48984791
   0.91047122  0.10299030  0.88855105
   0.61371494  0.42338441  0.61137186
   0.77693987  0.34734081  0.80372102
   0.63120346  0.64671008 -0.00350451
   0.91691580  0.59109322  0.37925803
   0.57044238  0.89229688  0.13001694
   0.83569505  0.84263909  0.25347736
   0.65832233  0.64798358  0.47945339
   0.87675061  0.62458834  0.87897419
   0.62887223  0.91534937  0.61487249
   0.84588896  0.87484886  0.75097874
   0.10762612  0.03548703  0.13726231
   0.34644409  0.18259973  0.26967947
   0.14164766  0.32219845  0.01472092
   0.36278206  0.43532953  0.34389490
   0.54373969  0.35970953  0.21500011
   0.29181145  0.39772019  0.15912384
   0.22059773  0.13141178  0.43399999
  -0.03632464  0.19214726  0.40327423
   0.03678036  0.03032424  0.53797291
   0.45808451  0.24550944  0.78172685
   0.08053161  0.31045370  0.53522574
   0.37200581  0.46950323  0.83771800
   0.46396130  0.45362083  0.66494596
   0.23819706  0.33584008  0.69412328
   0.24157113  0.17520227 -0.13442175
   0.04439628  0.10795051  0.95719482
   0.11456992  0.56980321  0.06127006
   0.40488787  0.68505426  0.27189166
   0.12378579  0.82045909  0.02855025
   0.37736417  0.93160667  0.33386579
   0.40941622  0.90024770  0.15265379
   0.18656112  0.80195765  0.21794346
   0.33986220  0.66323732  0.44978192
   0.08457110  0.58155170  0.40581981
   0.17821731  0.55131357  0.57415666
   0.36688243  0.70792550  0.76710491
   0.15140448  0.80005289  0.51404783
   0.38077737  0.98234958  0.79405193
   0.47634386  0.87265542  0.62975016
   0.21516777  0.91513018  0.65168171
   0.30304035  0.66000490 -0.05184729
   0.04268911  0.65440359  0.89198915
   0.62347087  0.03870990  0.10204039
   0.84021213  0.18455556  0.23548804
   0.59944535  0.27808502  0.04257594
   0.86808897  0.44380355  0.35851667
   0.04046806  0.35901171  0.18226031
   0.78121792  0.40352899  0.14699268
   0.72235158  0.16401615  0.41064029
   0.46831290  0.11167184  0.44200535
   0.65090512  0.06866778  0.58146471
   0.89281460  0.22947925  0.80976547
   0.58557694  0.31624937  0.53180854
   0.85709734  0.47443339  0.84441799
   0.98863035  0.45154718  0.66654238
   0.73454490  0.37573100  0.69389419
   0.77908297  0.10257796  0.96138144
   0.49725607  0.08793464  0.93167245
   0.57717954  0.52797790  0.06180453
   0.87942350  0.69235332  0.29075514
   0.61323673  0.79613147  0.04061845
   0.86422918  0.95735159  0.33675911
   0.93261133  0.86979576  0.16060410
   0.66562710  0.84506209  0.22920393
   0.81410740  0.65352821  0.45885172
   0.57132169  0.56548089  0.39300841
   0.63356358  0.57320737  0.57631816
   0.82471677  0.72868048  0.80105496
   0.58608774  0.80105939  0.46625916
   0.92145185  0.95985649  0.83164120
   0.94803422  0.85926672  0.65816272
   0.68860700  0.93856331  0.73115135
   0.79247547  0.64516027  0.97756879
   0.56561212  0.65155495  0.88389089
   0.73491325  0.83813128  0.57622493
   0.50073599  0.80353245  0.47766779
   0.93493054  0.23937048  0.05420649
   0.89933887  0.36523613  0.39010144
   0.35255850  0.09727713  0.63443589
   0.33406615  0.63517222  0.69179574
   0.16828712  1.07634055  0.17433190
   0.28479101  1.12181944  0.05050118
   0.64643934  0.31308227  0.85481478
   0.92699470  0.40001599  0.62599760
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950553    0.501948   -0.162225
    -0.000000    9.947564    0.006053
    -0.000000    0.000000   13.980170
   Si   O    H 
    32    64    10
Direct configuration=  2129
   0.18593055  0.17552022 -0.02049775
   0.34320890  0.08941145  0.36329495
   0.14599976  0.41948710  0.10877051
   0.38374453  0.34367867  0.24485103
   0.08042693  0.16359931  0.48123273
   0.39625299  0.12477481  0.84387905
   0.12593381  0.41173105  0.61868989
   0.37982178  0.37887298  0.74273539
   0.14940920  0.67449879 -0.02055296
   0.42156918  0.58066135  0.36463113
   0.08079817  0.87426967  0.13240995
   0.33669406  0.83019863  0.23904072
   0.18171799  0.64690073  0.48329394
   0.40790447  0.62451623  0.86813461
   0.07754913  0.88941418  0.59187967
   0.35538128  0.95931245  0.68136291
   0.62968981  0.12904193  1.00245946
   0.84914421  0.11964115  0.34178342
   0.61956049  0.39279023  0.12011873
   0.89720324  0.28790846  0.15083661
   0.61148167  0.16289308  0.48962743
   0.91021335  0.10427831  0.88816553
   0.61402619  0.42243565  0.61177231
   0.77611475  0.34806693  0.80178867
   0.63216205  0.64595309 -0.00376745
   0.91600300  0.59074236  0.37900836
   0.56983212  0.89266130  0.12954287
   0.83485315  0.84291087  0.25244550
   0.65748228  0.64754302  0.47919338
   0.87842988  0.62499992  0.87898192
   0.62879907  0.91626474  0.61529769
   0.84639646  0.87546306  0.75151215
   0.10662458  0.03183430  0.13606069
   0.34714569  0.18102407  0.26938988
   0.14037348  0.32310763  0.01334369
   0.36273196  0.43541831  0.34409878
   0.54505087  0.35967746  0.21483568
   0.29153526  0.39755912  0.15853188
   0.21886509  0.13179913  0.43387138
  -0.03642308  0.19131976  0.40422303
   0.03747118  0.03179061  0.53815067
   0.45739614  0.24398244  0.78163316
   0.07769081  0.30925999  0.53498115
   0.37154910  0.46936301  0.83760489
   0.46376700  0.45288791  0.66405124
   0.23853507  0.33385568  0.69307602
   0.24271762  0.17474373 -0.13464237
   0.04375378  0.10710250  0.95800216
   0.11510940  0.56869260  0.06218313
   0.40701734  0.68592089  0.27186210
   0.12387990  0.82042535  0.02770448
   0.37547056  0.93273959  0.33377715
   0.40964243  0.89983492  0.15253090
   0.18632210  0.80132168  0.21777222
   0.34008815  0.66235455  0.44960518
   0.08370833  0.58165718  0.40463565
   0.17768307  0.55004441  0.57444584
   0.36904980  0.70632627  0.76856100
   0.15230313  0.80062313  0.51353430
   0.38190895  0.98143046  0.79348742
   0.47680821  0.87309707  0.63003380
   0.21605653  0.91470547  0.65154009
   0.30225456  0.66069429 -0.05054960
   0.04230120  0.65444602  0.89144145
   0.62371873  0.03690935  0.10230496
   0.84200107  0.18353868  0.23488270
   0.59830777  0.28054220  0.04260043
   0.86658143  0.44431222  0.35976187
   0.04117807  0.35810900  0.18108250
   0.78114324  0.40269539  0.14496770
   0.72343924  0.16684727  0.40995348
   0.46669583  0.11077642  0.44199851
   0.65031584  0.07018053  0.58205475
   0.89248819  0.22867926  0.80965762
   0.58380588  0.31711280  0.53287413
   0.85612236  0.47410220  0.84368331
   0.98756688  0.45127165  0.66720512
   0.73417283  0.37654818  0.69411540
   0.77866032  0.10261215  0.96020175
   0.49865550  0.08779103  0.93191495
   0.57878248  0.52791109  0.06216776
   0.88151070  0.69480064  0.28965455
   0.61353841  0.79540711  0.03997600
   0.86259753  0.95657108  0.33738552
   0.93140313  0.87148962  0.16063402
   0.66473736  0.84303504  0.22949153
   0.81535516  0.65532254  0.45982075
   0.57225214  0.56447960  0.39230327
   0.63179368  0.57458292  0.57583832
   0.82486362  0.72712770  0.80077396
   0.58883039  0.80079908  0.46704334
   0.92231590  0.95848205  0.83182848
   0.94764640  0.85827208  0.65904936
   0.68910559  0.93986796  0.73113930
   0.79269251  0.64636554  0.97756188
   0.56693585  0.65174982  0.88312180
   0.72635458  0.83803512  0.57826728
   0.48905216  0.79998315  0.47466214
   0.93606468  0.23467149  0.05624887
   0.90375238  0.36135911  0.39350996
   0.35268345  0.09128271  0.63655010
   0.33004724  0.64124336  0.68760117
   0.16954282  1.08040230  0.17875260
   0.28756512  1.11958167  0.05070246
   0.64183811  0.31806794  0.85123835
   0.91900343  0.40153707  0.62679804
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950427    0.505023   -0.164144
    -0.000000    9.948959    0.004550
    -0.000000    0.000000   13.978990
   Si   O    H 
    32    64    10
Direct configuration=  2130
   0.18528687  0.17377070 -0.01939843
   0.34302654  0.08872998  0.36344835
   0.14587922  0.41948314  0.10846810
   0.38466354  0.34294623  0.24553219
   0.08069397  0.16322582  0.48147019
   0.39754955  0.12522357  0.84413064
   0.12454649  0.41206239  0.61834553
   0.37897359  0.37903981  0.74236273
   0.14876272  0.67538482 -0.02124836
   0.42112693  0.57959528  0.36406695
   0.08222823  0.87208433  0.13198662
   0.33633016  0.82994677  0.23888126
   0.18234054  0.64778372  0.48286622
   0.40859038  0.62367832  0.86757279
   0.07908445  0.88920106  0.59180595
   0.35497402  0.95802476  0.68068432
   0.62922274  0.12868667  1.00229356
   0.85002433  0.11882875  0.34195197
   0.62038803  0.39221209  0.12054391
   0.89570848  0.28825522  0.15053703
   0.61223956  0.16215665  0.48967419
   0.90907178  0.10528986  0.88809564
   0.61312685  0.42164601  0.61268389
   0.77556161  0.34842398  0.79990137
   0.63264905  0.64535067 -0.00413997
   0.91570496  0.59047379  0.37848683
   0.56971488  0.89282555  0.12869346
   0.83349212  0.84307313  0.25156768
   0.65671550  0.64716786  0.47835717
   0.88009742  0.62491589  0.87936897
   0.62910503  0.91725084  0.61571771
   0.84581723  0.87598328  0.75204093
   0.10627111  0.02925802  0.13497728
   0.34831905  0.18015968  0.26870215
   0.13893487  0.32320440  0.01172799
   0.36196138  0.43545270  0.34403997
   0.54560485  0.35953635  0.21553681
   0.29148217  0.39861154  0.15740358
   0.21775340  0.13262694  0.43301280
  -0.03740191  0.19078940  0.40511524
   0.03837270  0.03363052  0.53813492
   0.45653821  0.24222738  0.78141108
   0.07494311  0.30790477  0.53463157
   0.37106545  0.46942954  0.83797876
   0.46340554  0.45280850  0.66327320
   0.23818046  0.33263603  0.69121734
   0.24297589  0.17482991 -0.13475016
   0.04264571  0.10623752  0.95875189
   0.11571058  0.56750554  0.06335459
   0.40802276  0.68617670  0.27207999
   0.12398380  0.82084395  0.02700587
   0.37389272  0.93340827  0.33386800
   0.41012316  0.89985384  0.15300666
   0.18555679  0.80127894  0.21694204
   0.33979296  0.66041447  0.44928437
   0.08310062  0.58130486  0.40389369
   0.17725878  0.54818094  0.57490407
   0.37017380  0.70443575  0.77032642
   0.15259797  0.80045550  0.51239274
   0.38242887  0.98143488  0.79303252
   0.47683030  0.87401498  0.63067238
   0.21636601  0.91356689  0.65204684
   0.30231536  0.66170607 -0.04878480
   0.04178784  0.65441630  0.89080198
   0.62447344  0.03521221  0.10218956
   0.84413411  0.18257668  0.23406419
   0.59683625  0.28191846  0.04245923
   0.86447950  0.44440835  0.36122176
   0.04216597  0.35709474  0.18062694
   0.77989480  0.40275182  0.14336285
   0.72439498  0.16938317  0.40852290
   0.46567057  0.11067257  0.44181846
   0.64928639  0.07158262  0.58195945
   0.89317036  0.22680072  0.81010566
   0.58203249  0.31801913  0.53390047
   0.85490214  0.47348521  0.84345812
   0.98579115  0.45157320  0.66802301
   0.73311695  0.37747400  0.69428937
   0.77872344  0.10303615  0.95909876
   0.50081626  0.08760326  0.93220765
   0.58025231  0.52853766  0.06223349
   0.88360347  0.69681228  0.28935625
   0.61326845  0.79513272  0.04009357
   0.86082546  0.95592415  0.33811978
   0.93028240  0.87328383  0.16102712
   0.66433203  0.84176818  0.22948493
   0.81624657  0.65780275  0.46084090
   0.57414867  0.56348476  0.39218543
   0.63003017  0.57562057  0.57519762
   0.82442959  0.72717048  0.80036400
   0.59079740  0.80100033  0.46793341
   0.92338616  0.95734045  0.83198456
   0.94728869  0.85719395  0.65933203
   0.69000585  0.93978316  0.73080712
   0.79380006  0.64703927  0.97773573
   0.56791715  0.65137486  0.88302320
   0.72873673  0.82884071  0.57636039
   0.48598011  0.79710866  0.47049436
   0.93556562  0.23006171  0.05873806
   0.90813616  0.35806050  0.39426070
   0.35284175  0.08586853  0.64009523
   0.33042453  0.64841958  0.68959229
   0.16956933  1.08233150  0.18100718
   0.28811303  1.12000077  0.04809992
   0.64383967  0.32556297  0.84761157
   0.91696140  0.40774174  0.63201211
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950502    0.507721   -0.165474
    -0.000000    9.950504    0.003518
    -0.000000    0.000000   13.977877
   Si   O    H 
    32    64    10
Direct configuration=  2131
   0.18404721  0.17245732 -0.01865193
   0.34325037  0.08809760  0.36419960
   0.14561946  0.41939263  0.10820841
   0.38524353  0.34241681  0.24676103
   0.08108066  0.16257646  0.48146693
   0.39780618  0.12577131  0.84437987
   0.12340774  0.41251063  0.61806222
   0.37906502  0.37863002  0.74202818
   0.14784969  0.67564138 -0.02197728
   0.42009902  0.57888910  0.36365920
   0.08360589  0.86968989  0.13207850
   0.33660157  0.83013445  0.23862892
   0.18296681  0.64946829  0.48228856
   0.40942391  0.62309164  0.86706635
   0.08026262  0.88955851  0.59194409
   0.35457775  0.95786310  0.68011806
   0.62900146  0.12773389  1.00217925
   0.85113510  0.11817801  0.34210390
   0.62120530  0.39168801  0.12061310
   0.89460542  0.28825775  0.15053946
   0.61350327  0.16149606  0.48931278
   0.90845263  0.10586776  0.88786119
   0.61282185  0.42155625  0.61379273
   0.77440453  0.34926363  0.79807652
   0.63325946  0.64477914 -0.00472523
   0.91596190  0.59075982  0.37809606
   0.56988979  0.89230878  0.12790594
   0.83206632  0.84361936  0.25065894
   0.65629358  0.64659804  0.47710974
   0.88118928  0.62433852  0.87940833
   0.62913475  0.91868335  0.61605905
   0.84591511  0.87602030  0.75252337
   0.10620341  0.02755573  0.13456447
   0.34950293  0.17961207  0.26835685
   0.13751827  0.32292705  0.01004153
   0.36180843  0.43575057  0.34406807
   0.54506127  0.35981449  0.21645597
   0.29234755  0.39969512  0.15689175
   0.21753470  0.13274161  0.43173041
  -0.03860934  0.19030774  0.40555882
   0.03865211  0.03503851  0.53800310
   0.45562096  0.24111445  0.78153826
   0.07313902  0.30639099  0.53390706
   0.37005534  0.46922950  0.83855055
   0.46361881  0.45295635  0.66275616
   0.23744101  0.33162594  0.68936767
   0.24236864  0.17518614 -0.13444370
   0.04138703  0.10541411  0.95944843
   0.11598628  0.56649422  0.06521667
   0.40933401  0.68594864  0.27190853
   0.12346696  0.82118587  0.02656825
   0.37278529  0.93442602  0.33358054
   0.41128872  0.90002763  0.15326256
   0.18383599  0.79973272  0.21562268
   0.33942725  0.65890551  0.44879341
   0.08261593  0.58091508  0.40296915
   0.17712162  0.54644477  0.57530422
   0.37082411  0.70235769  0.77109101
   0.15259243  0.79986075  0.51098291
   0.38293751  0.98142977  0.79192321
   0.47790471  0.87505287  0.63131497
   0.21608384  0.91185448  0.65260802
   0.30216987  0.66211653 -0.04766592
   0.04126537  0.65455815  0.89103348
   0.62569665  0.03384225  0.10228698
   0.84621359  0.18190321  0.23347357
   0.59492027  0.28307293  0.04236476
   0.86378645  0.44465785  0.36290053
   0.04258392  0.35664522  0.18019570
   0.77835700  0.40328067  0.14196535
   0.72402933  0.17165079  0.40719919
   0.46529003  0.11121905  0.44103238
   0.64857603  0.07280082  0.58163499
   0.89365395  0.22438468  0.81045339
   0.58028693  0.31856464  0.53421978
   0.85321345  0.47369427  0.84350518
   0.98437253  0.45225376  0.66856686
   0.73225159  0.37882758  0.69386311
   0.77900297  0.10341519  0.95814929
   0.50319543  0.08684904  0.93248097
   0.58076076  0.53004752  0.06274363
   0.88522685  0.69814623  0.28856718
   0.61285245  0.79471127  0.04007839
   0.85992499  0.95480249  0.33815228
   0.92902154  0.87450374  0.16123506
   0.66399638  0.84092546  0.22982542
   0.81784473  0.66004218  0.46115202
   0.57717825  0.56275903  0.39192338
   0.62965329  0.57661821  0.57497918
   0.82355688  0.72792745  0.79983200
   0.59159087  0.80088105  0.46787657
   0.92304529  0.95728398  0.83266939
   0.94758644  0.85600286  0.65912942
   0.69055684  0.93925683  0.73111303
   0.79536371  0.64744970  0.97765495
   0.56854102  0.65125146  0.88295439
   0.73984802  0.81657927  0.57553876
   0.49173182  0.79154941  0.46442221
   0.92948754  0.22287508  0.05962383
   0.91124227  0.36226595  0.39225880
   0.35327163  0.09022410  0.64256084
   0.33139871  0.65858324  0.70031758
   0.16231223  1.07511759  0.17625381
   0.29084286  1.12156693  0.04370679
   0.64903249  0.33683287  0.84225557
   0.91255286  0.41258081  0.63537213
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950206    0.510045   -0.166749
    -0.000000    9.951812    0.002364
    -0.000000    0.000000   13.976473
   Si   O    H 
    32    64    10
Direct configuration=  2132
   0.18265957  0.17074871 -0.01808002
   0.34443205  0.08713617  0.36502060
   0.14540860  0.41917563  0.10762317
   0.38552514  0.34250263  0.24835454
   0.08101475  0.16257294  0.48131392
   0.39767523  0.12611038  0.84428532
   0.12252264  0.41195134  0.61758261
   0.37951399  0.37796654  0.74207491
   0.14666711  0.67609954 -0.02227060
   0.42005379  0.57822723  0.36309608
   0.08523124  0.86792930  0.13212701
   0.33774475  0.83008462  0.23864069
   0.18363027  0.65013999  0.48194398
   0.41026584  0.62271644  0.86677112
   0.08107426  0.89060119  0.59268260
   0.35503066  0.95823974  0.67996199
   0.62858947  0.12698651  1.00230054
   0.85178193  0.11798800  0.34221960
   0.62211878  0.39192024  0.12032961
   0.89344201  0.28811200  0.15085043
   0.61378537  0.16079436  0.48914122
   0.90796892  0.10640390  0.88793670
   0.61262939  0.42125100  0.61454309
   0.77417756  0.34976372  0.79647455
   0.63439139  0.64435903 -0.00485270
   0.91640012  0.59150400  0.37723341
   0.57040531  0.89183919  0.12756567
   0.83037715  0.84399282  0.24971793
   0.65528193  0.64619040  0.47564542
   0.88194806  0.62381955  0.87935996
   0.62987400  0.91946355  0.61641279
   0.84528813  0.87587890  0.75278781
   0.10636558  0.02613545  0.13436852
   0.35162131  0.17927364  0.26841585
   0.13599664  0.32249896  0.00902307
   0.36135855  0.43532380  0.34391259
   0.54485369  0.35949636  0.21748091
   0.29344198  0.40034867  0.15647918
   0.21796578  0.13203238  0.43020433
  -0.04015110  0.19033240  0.40553425
   0.03906287  0.03560734  0.53860822
   0.45506718  0.24022268  0.78149283
   0.07110313  0.30442161  0.53348872
   0.36895916  0.46884253  0.83856366
   0.46401406  0.45348141  0.66267358
   0.23605516  0.33060001  0.68752998
   0.24216541  0.17496971 -0.13411650
   0.03908856  0.10513837  0.96030005
   0.11595226  0.56469915  0.06678825
   0.41089942  0.68567955  0.27136843
   0.12292674  0.82189418  0.02630514
   0.37169099  0.93458649  0.33347804
   0.41298196  0.89983508  0.15294994
   0.18309225  0.79853057  0.21448584
   0.33859150  0.65708396  0.44835659
   0.08260021  0.58066387  0.40192566
   0.17751759  0.54552506  0.57569921
   0.37127438  0.70072646  0.77091186
   0.15196928  0.79819457  0.51002889
   0.38418217  0.98160318  0.79048730
   0.48012116  0.87470470  0.63152419
   0.21502656  0.91024274  0.65309386
   0.30273030  0.66256031 -0.04696584
   0.03991881  0.65470738  0.89105320
   0.62735531  0.03284619  0.10226198
   0.84826565  0.18101960  0.23268605
   0.59246250  0.28335471  0.04208087
   0.86310181  0.44507337  0.36410566
   0.04231632  0.35640111  0.18033177
   0.77725393  0.40359230  0.14075554
   0.72405025  0.17386488  0.40581322
   0.46538800  0.11160205  0.44018925
   0.64750950  0.07366951  0.58131859
   0.89447845  0.22240560  0.81073953
   0.57925228  0.31846660  0.53393346
   0.85186873  0.47385882  0.84330833
   0.98375410  0.45313287  0.66893757
   0.73133194  0.37994582  0.69261000
   0.77857978  0.10459328  0.95714529
   0.50545275  0.08608055  0.93241372
   0.58220509  0.53126535  0.06280781
   0.88744870  0.69910369  0.28783163
   0.61151583  0.79422156  0.04016327
   0.85947682  0.95401393  0.33769758
   0.92673619  0.87499485  0.16130854
   0.66340127  0.84032395  0.22939675
   0.81954818  0.66260361  0.46125432
   0.58028169  0.56258707  0.39172790
   0.63060743  0.57691084  0.57523828
   0.82294938  0.72880034  0.79908363
   0.59196642  0.80015844  0.46779183
   0.92280480  0.95797276  0.83351921
   0.94822606  0.85565034  0.65889065
   0.69254779  0.93895080  0.73078595
   0.79716266  0.64816351  0.97785084
   0.56877874  0.65153479  0.88337381
   0.74854837  0.81063621  0.57879476
   0.49859433  0.78977313  0.45714842
   0.92092770  0.21779691  0.06078392
   0.91051932  0.36596763  0.38845996
   0.35536292  0.09537005  0.64430782
   0.33603365  0.67295284  0.72128228
   0.16095341  1.07048970  0.17247824
   0.29626926  1.12192260  0.04378704
   0.64718645  0.34533917  0.84121803
   0.90432476  0.41606805  0.63769837
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950268    0.512494   -0.167878
    -0.000000    9.953043    0.000999
    -0.000000    0.000000   13.975324
   Si   O    H 
    32    64    10
Direct configuration=  2133
   0.18129836  0.16882707 -0.01761500
   0.34570787  0.08664150  0.36557246
   0.14598983  0.41849282  0.10701541
   0.38519191  0.34196847  0.24962957
   0.08054294  0.16264670  0.48114472
   0.39777344  0.12615179  0.84419225
   0.12216411  0.41126686  0.61711628
   0.37984739  0.37715994  0.74200280
   0.14504219  0.67695906 -0.02212172
   0.41996559  0.57811666  0.36262780
   0.08641008  0.86679807  0.13246868
   0.33848203  0.82919462  0.23928032
   0.18408248  0.64997404  0.48186312
   0.41018121  0.62201538  0.86665361
   0.08196097  0.89177322  0.59340743
   0.35583800  0.95888285  0.67989054
   0.62818335  0.12641966  1.00228432
   0.85221259  0.11792220  0.34202301
   0.62311991  0.39159850  0.12017466
   0.89290889  0.28789868  0.15104327
   0.61419283  0.16068320  0.48888848
   0.90805662  0.10648409  0.88834625
   0.61216062  0.42084705  0.61532457
   0.77424203  0.34999871  0.79591530
   0.63613740  0.64422785 -0.00533099
   0.91670631  0.59215458  0.37624467
   0.57097879  0.89151645  0.12768234
   0.82837154  0.84396836  0.24878227
   0.65466715  0.64534923  0.47456289
   0.88257930  0.62344338  0.87915255
   0.63078667  0.91942719  0.61666462
   0.84536076  0.87586204  0.75314343
   0.10523984  0.02480762  0.13339991
   0.35349455  0.17949440  0.26876537
   0.13482667  0.32268650  0.00819224
   0.36035082  0.43465971  0.34371498
   0.54450580  0.35911597  0.21809862
   0.29475247  0.40060559  0.15637966
   0.21962305  0.13167984  0.42849916
  -0.04096051  0.18984139  0.40536244
   0.03925365  0.03546636  0.53895283
   0.45499828  0.23940866  0.78188311
   0.06907667  0.30341454  0.53316122
   0.36856183  0.46943941  0.83861251
   0.46432993  0.45405252  0.66284360
   0.23438054  0.33012041  0.68536790
   0.24227239  0.17504581 -0.13335838
   0.03717910  0.10384211  0.96077466
   0.11550445  0.56336029  0.06815734
   0.41196822  0.68588092  0.27143979
   0.12285489  0.82194529  0.02625089
   0.36981292  0.93390992  0.33289466
   0.41497783  0.89879898  0.15255325
   0.18279982  0.79750916  0.21308626
   0.33843855  0.65512781  0.44760719
   0.08224498  0.57997368  0.40141393
   0.17826339  0.54584264  0.57592006
   0.37229117  0.70057801  0.77213801
   0.15077102  0.79738481  0.50938425
   0.38623005  0.98211487  0.79050441
   0.48256152  0.87442852  0.63193342
   0.21389382  0.90846565  0.65335372
   0.30361442  0.66212747 -0.04675180
   0.03943370  0.65503897  0.89108483
   0.62844752  0.03254586  0.10204106
   0.85001537  0.18025938  0.23213801
   0.59027102  0.28380911  0.04110499
   0.86265374  0.44572120  0.36530232
   0.04156651  0.35580779  0.18031010
   0.77621934  0.40466478  0.13938545
   0.72416167  0.17550261  0.40475978
   0.46595091  0.11285124  0.43935134
   0.64689049  0.07462420  0.58136556
   0.89444000  0.22069795  0.81030373
   0.57888773  0.31778033  0.53362642
   0.85105716  0.47456233  0.84327044
   0.98310068  0.45409787  0.66851752
   0.73061224  0.38115093  0.69064288
   0.77767702  0.10629002  0.95633225
   0.50763476  0.08581121  0.93272276
   0.58286885  0.53195476  0.06225235
   0.88992161  0.69946467  0.28761262
   0.61008553  0.79401169  0.04008439
   0.85866125  0.95222661  0.33741635
   0.92451614  0.87483371  0.16093997
   0.66326402  0.84018269  0.22894063
   0.82124310  0.66455822  0.46151881
   0.58249673  0.56220344  0.39171662
   0.63189480  0.57643647  0.57597204
   0.82228857  0.72891938  0.79869194
   0.59325591  0.79977619  0.46764422
   0.92303560  0.95952828  0.83438479
   0.94806151  0.85467288  0.65835337
   0.69419510  0.93863711  0.73044290
   0.79873390  0.64946432  0.97788173
   0.56943168  0.65170176  0.88407546
   0.75170451  0.81004864  0.58551831
   0.49813519  0.79156899  0.44760721
   0.91192016  0.21434906  0.06259326
   0.91143330  0.36132507  0.38730956
   0.35677867  0.09970603  0.64347241
   0.32315745  0.67092144  0.71615141
   0.17429741  1.07714106  0.17766462
   0.30002253  1.12265664  0.04312901
   0.64825362  0.35095549  0.84102205
   0.89346948  0.42261937  0.64085779
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950903    0.514988   -0.169133
    -0.000000    9.954524   -0.000407
    -0.000000    0.000000   13.973781
   Si   O    H 
    32    64    10
Direct configuration=  2134
   0.18035150  0.16726953 -0.01755935
   0.34773926  0.08645682  0.36615677
   0.14634812  0.41759909  0.10636211
   0.38508913  0.34075462  0.25064954
   0.08042112  0.16253945  0.48068027
   0.39739473  0.12569762  0.84449623
   0.12174677  0.41088403  0.61638239
   0.38006665  0.37643429  0.74190663
   0.14361788  0.67766685 -0.02209717
   0.41982242  0.57815865  0.36211541
   0.08763304  0.86610799  0.13269595
   0.33916749  0.82774546  0.23990871
   0.18478134  0.64919337  0.48186767
   0.40981886  0.62104086  0.86662942
   0.08295217  0.89282188  0.59401181
   0.35658359  0.95995827  0.68024023
   0.62820902  0.12524299  1.00212125
   0.85252681  0.11773117  0.34166229
   0.62387630  0.39102527  0.11994927
   0.89288829  0.28759640  0.15157415
   0.61430860  0.16079402  0.48829069
   0.90790361  0.10669048  0.88891071
   0.61154132  0.42120273  0.61595022
   0.77470371  0.35058674  0.79542987
   0.63763409  0.64354558 -0.00601670
   0.91731058  0.59292929  0.37551831
   0.57118220  0.89189424  0.12812589
   0.82610690  0.84359393  0.24802114
   0.65505630  0.64479435  0.47343054
   0.88283159  0.62316951  0.87932951
   0.63216527  0.91919332  0.61733246
   0.84490266  0.87569478  0.75324191
   0.10469747  0.02472194  0.13339291
   0.35441986  0.18043915  0.26929915
   0.13348439  0.32338299  0.00751843
   0.35980093  0.43356546  0.34334363
   0.54352614  0.35915984  0.21935947
   0.29626538  0.40068253  0.15657488
   0.22032935  0.13157465  0.42690123
  -0.04180090  0.18970699  0.40525942
   0.03947829  0.03461571  0.54011557
   0.45460674  0.23926978  0.78200131
   0.06738991  0.30338588  0.53329504
   0.36868832  0.46907094  0.83844159
   0.46436044  0.45490505  0.66358110
   0.23395850  0.33033901  0.68394500
   0.24288872  0.17501643 -0.13203269
   0.03528256  0.10185842  0.96074222
   0.11466051  0.56305954  0.06894305
   0.41256004  0.68529402  0.27160124
   0.12239371  0.82197330  0.02590275
   0.36842461  0.93250219  0.33232035
   0.41624605  0.89750076  0.15099745
   0.18275519  0.79591428  0.21188055
   0.33936585  0.65294980  0.44711542
   0.08187662  0.57939654  0.40020320
   0.17970001  0.54569425  0.57571333
   0.37246017  0.70098259  0.77302276
   0.14841786  0.79709898  0.50888836
   0.38850893  0.98252503  0.79056891
   0.48436067  0.87442938  0.63186126
   0.21301891  0.90716894  0.65493016
   0.30485449  0.66201727 -0.04728102
   0.03965259  0.65423154  0.89143978
   0.62958984  0.03333645  0.10168552
   0.85203808  0.17968729  0.23191088
   0.58844413  0.28345747  0.03968329
   0.86217599  0.44548539  0.36697358
   0.04063942  0.35430355  0.18005895
   0.77606265  0.40592053  0.13809855
   0.72401200  0.17663361  0.40452188
   0.46641521  0.11412394  0.43869650
   0.64656660  0.07553493  0.58098129
   0.89375763  0.22013789  0.80978775
   0.57841963  0.31654753  0.53288475
   0.85070237  0.47489919  0.84282565
   0.98192311  0.45477037  0.66834524
   0.73026062  0.38271336  0.68834165
   0.77627199  0.10855114  0.95572130
   0.50910990  0.08549429  0.93331163
   0.58361367  0.53240579  0.06188718
   0.89240400  0.69975963  0.28722145
   0.60844835  0.79333712  0.04025287
   0.85704273  0.95114075  0.33735633
   0.92233471  0.87483985  0.15977317
   0.66248896  0.84075731  0.22842176
   0.82241431  0.66583825  0.46194310
   0.58393307  0.56190511  0.39129452
   0.63351694  0.57567755  0.57695117
   0.82225138  0.72935414  0.79827684
   0.59424286  0.79928941  0.46773714
   0.92339891  0.96175736  0.83499077
   0.94793084  0.85406476  0.65829227
   0.69534579  0.93834191  0.72999963
   0.79973599  0.65059034  0.97817997
   0.57020497  0.65151138  0.88590756
   0.74444027  0.81611949  0.59290585
   0.49844197  0.79450335  0.43878626
   0.90901872  0.20975239  0.06151885
   0.91085847  0.36180480  0.38378992
   0.35751988  0.10046823  0.64139442
   0.31097785  0.66591513  0.71149760
   0.18077682  1.07471318  0.17665414
   0.30011284  1.11903533  0.04053776
   0.64812692  0.35345024  0.84244537
   0.89289514  0.43099638  0.64651409
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951568    0.517762   -0.171093
    -0.000000    9.956378   -0.002169
    -0.000000    0.000000   13.972087
   Si   O    H 
    32    64    10
Direct configuration=  2135
   0.17931605  0.16541272 -0.01799588
   0.34937773  0.08622925  0.36671889
   0.14639677  0.41574460  0.10611634
   0.38503781  0.33929256  0.25124978
   0.08079787  0.16254892  0.48029228
   0.39710139  0.12453871  0.84458686
   0.12105306  0.41011690  0.61574250
   0.38013042  0.37534915  0.74195444
   0.14297901  0.67780530 -0.02219021
   0.42011584  0.57809715  0.36158858
   0.08851387  0.86594364  0.13308293
   0.33963769  0.82656730  0.24044560
   0.18534407  0.64868514  0.48138019
   0.40958844  0.62028604  0.86677171
   0.08361959  0.89458861  0.59493721
   0.35782394  0.96146634  0.68062027
   0.62854390  0.12470521  1.00237873
   0.85290224  0.11721543  0.34122597
   0.62359559  0.39081270  0.11936315
   0.89338411  0.28751246  0.15222796
   0.61432258  0.16115211  0.48736109
   0.90842847  0.10627023  0.88939805
   0.61055824  0.42170177  0.61640842
   0.77492366  0.35084956  0.79544319
   0.63967638  0.64336448 -0.00703566
   0.91806076  0.59361239  0.37518048
   0.57196414  0.89192720  0.12894698
   0.82426223  0.84400298  0.24729158
   0.65577595  0.64443017  0.47243971
   0.88207749  0.62296671  0.87949496
   0.63372011  0.91891039  0.61813720
   0.84491852  0.87529326  0.75355001
   0.10470097  0.02611617  0.13338196
   0.35571865  0.18142085  0.26949451
   0.13275092  0.32366361  0.00726238
   0.35804267  0.43320118  0.34276698
   0.54189305  0.35942769  0.22031663
   0.29763693  0.40045811  0.15659932
   0.22039969  0.13185955  0.42541732
  -0.04250293  0.18940222  0.40506865
   0.04024880  0.03362338  0.54105926
   0.45425133  0.23915608  0.78215635
   0.06608351  0.30375722  0.53420607
   0.36750485  0.46864602  0.83821532
   0.46480035  0.45565834  0.66490270
   0.23356379  0.33024896  0.68326463
   0.24374875  0.17484317 -0.13041601
   0.03353552  0.09903675  0.96053298
   0.11396959  0.56357709  0.06943254
   0.41330348  0.68486776  0.27171832
   0.12210858  0.82216994  0.02613332
   0.36488933  0.93004328  0.33148336
   0.41737241  0.89580554  0.14979902
   0.18363325  0.79436332  0.21096130
   0.34058141  0.65072963  0.44683262
   0.08207047  0.57908591  0.39916697
   0.18247562  0.54600611  0.57527863
   0.37268479  0.70109162  0.77244911
   0.14606702  0.79709159  0.50907726
   0.39020724  0.98343031  0.79024450
   0.48553956  0.87442424  0.63194593
   0.21194194  0.90615234  0.65657295
   0.30583677  0.66206751 -0.04722738
   0.04042710  0.65348768  0.89161559
   0.63081679  0.03472619  0.10092956
   0.85303365  0.17916123  0.23205461
   0.58666279  0.28260933  0.03792683
   0.86095825  0.44537380  0.36802732
   0.03935526  0.35329900  0.17926570
   0.77611537  0.40716174  0.13714009
   0.72279063  0.17798311  0.40384339
   0.46712566  0.11496282  0.43830340
   0.64688697  0.07638888  0.58099934
   0.89278606  0.22048536  0.80850863
   0.57903035  0.31572352  0.53175760
   0.85156322  0.47519693  0.84269015
   0.98022064  0.45539214  0.66837753
   0.73015791  0.38440078  0.68653558
   0.77408738  0.11063784  0.95524348
   0.50971338  0.08551718  0.93385611
   0.58482606  0.53257894  0.06223684
   0.89446583  0.69979096  0.28687818
   0.60696902  0.79269356  0.04047370
   0.85589476  0.94989187  0.33698957
   0.92138876  0.87471347  0.15848084
   0.66113831  0.84092537  0.22738951
   0.82362156  0.66634015  0.46188912
   0.58499226  0.56194438  0.39051277
   0.63454465  0.57530563  0.57737459
   0.82231673  0.72869941  0.79815136
   0.59493337  0.79876673  0.46685968
   0.92373998  0.96462352  0.83540153
   0.94772313  0.85393630  0.65820450
   0.69608435  0.93819740  0.73011915
   0.80017079  0.65128554  0.97855358
   0.57078599  0.65125232  0.88765596
   0.73750759  0.82270742  0.59786241
   0.50699798  0.80349787  0.43330480
   0.90469312  0.20997269  0.06040391
   0.91251495  0.36223793  0.38206967
   0.35681548  0.09698272  0.63949595
   0.30618380  0.66613198  0.71751831
   0.17557979  1.06704790  0.17137022
   0.29762616  1.11524448  0.03813593
   0.64446060  0.35526421  0.84214916
   0.89249391  0.43872335  0.65100178
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952389    0.520612   -0.173501
    -0.000000    9.957873   -0.003558
    -0.000000    0.000000   13.970270
   Si   O    H 
    32    64    10
Direct configuration=  2136
   0.17841226  0.16397856 -0.01852988
   0.35045841  0.08615389  0.36697030
   0.14631160  0.41358853  0.10554914
   0.38503266  0.33796804  0.25161569
   0.08148710  0.16232522  0.47970911
   0.39765665  0.12353220  0.84449482
   0.12030968  0.40983877  0.61507760
   0.37978366  0.37391233  0.74222098
   0.14281591  0.67794601 -0.02254015
   0.42053941  0.57816588  0.36073308
   0.08930988  0.86607077  0.13365396
   0.33979295  0.82570440  0.24095708
   0.18509390  0.64789732  0.48077646
   0.40939132  0.61979216  0.86678803
   0.08395660  0.89552001  0.59536717
   0.35944976  0.96340324  0.68084470
   0.62844959  0.12448939  1.00251054
   0.85291028  0.11632011  0.34022093
   0.62321291  0.39053337  0.11873818
   0.89416679  0.28762218  0.15300860
   0.61383793  0.16214368  0.48615729
   0.90874346  0.10610180  0.88971394
   0.60915065  0.42251968  0.61684461
   0.77535035  0.35105082  0.79579196
   0.64191693  0.64334803 -0.00844578
   0.91832923  0.59412900  0.37501490
   0.57286406  0.89154797  0.12947745
   0.82273387  0.84439175  0.24692725
   0.65649535  0.64363109  0.47166862
   0.88159410  0.62250957  0.87958898
   0.63537778  0.91831447  0.61890009
   0.84522636  0.87514780  0.75442111
   0.10510100  0.02813662  0.13431337
   0.35766642  0.18253733  0.26961446
   0.13297119  0.32375901  0.00770912
   0.35755219  0.43344327  0.34255006
   0.54033927  0.35990450  0.22098333
   0.29973128  0.40062390  0.15680299
   0.22052161  0.13163503  0.42429183
  -0.04152471  0.18934666  0.40490978
   0.04106725  0.03132131  0.54174203
   0.45381114  0.23917049  0.78220448
   0.06526287  0.30406127  0.53499989
   0.36542579  0.46714094  0.83752481
   0.46540837  0.45689444  0.66619186
   0.23373050  0.33027307  0.68192607
   0.24382819  0.17461730 -0.12864149
   0.03317898  0.09630988  0.96067407
   0.11304844  0.56502326  0.06956317
   0.41405722  0.68395693  0.27182695
   0.12200614  0.82233156  0.02633871
   0.36093229  0.92726234  0.33020305
   0.41734473  0.89471530  0.14862737
   0.18497702  0.79251956  0.20992095
   0.34168282  0.64870925  0.44705019
   0.08228169  0.57856917  0.39791912
   0.18444317  0.54615014  0.57451287
   0.37190211  0.70071492  0.77128595
   0.14383204  0.79833556  0.50930288
   0.39160731  0.98476911  0.79015432
   0.48593194  0.87367191  0.63268556
   0.21169572  0.90502436  0.65794399
   0.30724111  0.66254724 -0.04733421
   0.04162056  0.65267458  0.89207966
   0.63185921  0.03609042  0.10024193
   0.85347806  0.17896160  0.23209586
   0.58570051  0.28203461  0.03598361
   0.85987867  0.44514163  0.36878388
   0.03748259  0.35198497  0.17812967
   0.77757814  0.40842212  0.13667511
   0.72132139  0.17954521  0.40298576
   0.46812875  0.11567603  0.43804281
   0.64692013  0.07696669  0.58095779
   0.89084970  0.22135151  0.80705220
   0.57956383  0.31478724  0.53107718
   0.85257681  0.47532157  0.84286467
   0.97961356  0.45501232  0.66877782
   0.73080141  0.38555386  0.68476702
   0.77202711  0.11349986  0.95408222
   0.50952631  0.08614756  0.93412021
   0.58515505  0.53253809  0.06263573
   0.89664569  0.69973028  0.28671409
   0.60529095  0.79186907  0.04073580
   0.85482773  0.94859859  0.33691255
   0.92017743  0.87500730  0.15680802
   0.65902845  0.84198917  0.22635304
   0.82429814  0.66709459  0.46227843
   0.58498843  0.56200923  0.39003459
   0.63667044  0.57487725  0.57760573
   0.82215901  0.72843533  0.79810670
   0.59556353  0.79880354  0.46572177
   0.92403056  0.96711299  0.83524294
   0.94782457  0.85402603  0.65766365
   0.69654892  0.93927129  0.73042101
   0.80086229  0.65174644  0.97871928
   0.57049158  0.65174120  0.88894553
   0.73301758  0.82413511  0.59893075
   0.51300497  0.81382381  0.42842516
   0.90021832  0.21085858  0.06049304
   0.91476800  0.35921992  0.38124976
   0.35559825  0.09530146  0.63773805
   0.30927029  0.66922502  0.72894169
   0.16825504  1.05877152  0.16825128
   0.29603888  1.11427757  0.03784314
   0.64484428  0.35453749  0.84228597
   0.88259217  0.44290812  0.65116017
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952869    0.523609   -0.175164
    -0.000000    9.959481   -0.004993
    -0.000000    0.000000   13.968606
   Si   O    H 
    32    64    10
Direct configuration=  2137
   0.17763504  0.16244318 -0.01896496
   0.35159080  0.08612720  0.36729694
   0.14656913  0.41189028  0.10517025
   0.38536098  0.33676466  0.25189337
   0.08265149  0.16172505  0.47955915
   0.39839904  0.12216993  0.84480361
   0.11932234  0.40909615  0.61438979
   0.37915512  0.37254746  0.74248144
   0.14312587  0.67776026 -0.02250982
   0.42111591  0.57837872  0.36004476
   0.08972223  0.86561494  0.13431887
   0.33996489  0.82495194  0.24142562
   0.18463086  0.64701570  0.48051760
   0.40918914  0.61881577  0.86712534
   0.08405709  0.89617380  0.59580199
   0.36082515  0.96438918  0.68118050
   0.62857216  0.12432299  1.00271464
   0.85202510  0.11540441  0.33934844
   0.62230970  0.39057027  0.11816564
   0.89475464  0.28841981  0.15299239
   0.61249979  0.16287953  0.48494631
   0.90880079  0.10627705  0.89000700
   0.60795915  0.42324742  0.61675087
   0.77567149  0.35082298  0.79651628
   0.64405422  0.64310157 -0.00931825
   0.91846876  0.59444209  0.37518098
   0.57382422  0.89146382  0.12965570
   0.82150549  0.84458870  0.24712093
   0.65808020  0.64306817  0.47100128
   0.88062600  0.62230633  0.87968349
   0.63662989  0.91753507  0.62005985
   0.84604777  0.87532829  0.75542314
   0.10406923  0.03031509  0.13391208
   0.35924268  0.18282365  0.27001005
   0.13342423  0.32348409  0.00744202
   0.35737950  0.43394769  0.34287610
   0.53884627  0.36002517  0.22113595
   0.30140232  0.40122562  0.15704083
   0.22099437  0.13069542  0.42373326
  -0.04013744  0.18918321  0.40460011
   0.04204416  0.02911350  0.54163785
   0.45325297  0.23962478  0.78228659
   0.06491535  0.30412642  0.53571364
   0.36372377  0.46493170  0.83667019
   0.46582369  0.45701284  0.66726755
   0.23412246  0.33016062  0.68094278
   0.24444089  0.17376386 -0.12709584
   0.03299479  0.09465191  0.96124472
   0.11195199  0.56633667  0.06947935
   0.41498708  0.68307284  0.27152527
   0.12153580  0.82213324  0.02714084
   0.35694737  0.92616789  0.32947661
   0.41660191  0.89350784  0.14770686
   0.18555786  0.79028753  0.20930143
   0.34232057  0.64731092  0.44796316
   0.08222760  0.57761971  0.39732735
   0.18627007  0.54644591  0.57430318
   0.37101309  0.70190646  0.77036248
   0.14157952  0.79931154  0.50987972
   0.39234488  0.98584356  0.79059055
   0.48571295  0.87330753  0.63368233
   0.21166262  0.90421158  0.65954211
   0.30872986  0.66337545 -0.04718770
   0.04370847  0.65221351  0.89311451
   0.63306537  0.03723186  0.09986664
   0.85400910  0.17875256  0.23246970
   0.58490527  0.28112811  0.03371340
   0.85902094  0.44438495  0.36957641
   0.03508932  0.35081452  0.17722763
   0.78070858  0.40957127  0.13656439
   0.71974244  0.17993097  0.40209857
   0.46968489  0.11655488  0.43745058
   0.64653170  0.07833732  0.58143919
   0.88978830  0.22218669  0.80567256
   0.58026777  0.31419124  0.53101820
   0.85398981  0.47524741  0.84258195
   0.97844463  0.45425088  0.66951571
   0.73179356  0.38654909  0.68330319
   0.76966823  0.11712465  0.95338399
   0.50799198  0.08621426  0.93395259
   0.58497103  0.53286610  0.06255996
   0.89815762  0.69969702  0.28674034
   0.60420927  0.79135335  0.04127251
   0.85384725  0.94720461  0.33674252
   0.91947034  0.87564942  0.15508740
   0.65842750  0.84324365  0.22563856
   0.82464362  0.66822504  0.46248646
   0.58526849  0.56156789  0.38868409
   0.63773658  0.57487722  0.57753025
   0.82128257  0.72821257  0.79800803
   0.59626785  0.79919328  0.46471195
   0.92406219  0.96950539  0.83398538
   0.94830443  0.85416745  0.65716095
   0.69648056  0.94086907  0.73041007
   0.80071260  0.65135807  0.97874192
   0.56958881  0.65143520  0.88966136
   0.73657947  0.81784365  0.59550316
   0.51759084  0.82460936  0.42459507
   0.89520178  0.21716299  0.06182436
   0.91883287  0.36221919  0.37874756
   0.35478274  0.09312735  0.63275157
   0.30555045  0.67121663  0.73090337
   0.18311467  1.06414864  0.17568502
   0.29490263  1.11302292  0.03958961
   0.64540820  0.34910153  0.84296704
   0.88310587  0.44587351  0.65034632
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953317    0.526753   -0.176624
    -0.000000    9.960577   -0.006421
    -0.000000    0.000000   13.967013
   Si   O    H 
    32    64    10
Direct configuration=  2138
   0.17721569  0.16174044 -0.01951419
   0.35200455  0.08541409  0.36748140
   0.14672870  0.41050665  0.10482707
   0.38540439  0.33587414  0.25189836
   0.08381235  0.16101466  0.47971976
   0.39893311  0.12138053  0.84556226
   0.11827024  0.40872933  0.61384275
   0.37830660  0.37153950  0.74246235
   0.14354081  0.67805179 -0.02200356
   0.42148166  0.57856532  0.35922668
   0.08943450  0.86585867  0.13514599
   0.34094935  0.82414734  0.24156877
   0.18387516  0.64585917  0.48079102
   0.40967952  0.61801631  0.86707204
   0.08339554  0.89672827  0.59575331
   0.36238050  0.96440389  0.68140452
   0.62807100  0.12412026  1.00270907
   0.85093276  0.11486629  0.33825326
   0.62124286  0.38990833  0.11756583
   0.89454975  0.28908967  0.15291328
   0.61105039  0.16305843  0.48347487
   0.90803208  0.10634981  0.88998259
   0.60631407  0.42448845  0.61663405
   0.77629934  0.35038719  0.79695116
   0.64570685  0.64312620 -0.00973384
   0.91872731  0.59460495  0.37521347
   0.57483580  0.89162394  0.12952115
   0.82101009  0.84502242  0.24700475
   0.66029314  0.64240693  0.47062432
   0.87986857  0.62210586  0.87968631
   0.63800017  0.91800663  0.62069996
   0.84681144  0.87442723  0.75604915
   0.10338666  0.03243015  0.13402940
   0.36070191  0.18320198  0.27087076
   0.13412000  0.32326871  0.00671976
   0.35728557  0.43446361  0.34303759
   0.53805677  0.35966415  0.22060539
   0.30320536  0.40164870  0.15741026
   0.22169544  0.12957299  0.42331393
  -0.03890463  0.18878028  0.40418541
   0.04333411  0.02747807  0.54146510
   0.45309351  0.23952962  0.78150923
   0.06462668  0.30427545  0.53572859
   0.36186432  0.46356166  0.83641561
   0.46545259  0.45729535  0.66817058
   0.23500768  0.32995330  0.67959186
   0.24561948  0.17285090 -0.12573147
   0.03285341  0.09292086  0.96164076
   0.11167683  0.56785745  0.06913709
   0.41651118  0.68263861  0.27115201
   0.12058948  0.82204454  0.02776013
   0.35345266  0.92546201  0.32919034
   0.41516367  0.89314333  0.14673885
   0.18622275  0.78809022  0.20903560
   0.34231936  0.64613987  0.44891707
   0.08238851  0.57758020  0.39676571
   0.18823103  0.54661565  0.57424194
   0.37124577  0.70315078  0.76962949
   0.13951623  0.80029819  0.51069325
   0.39327682  0.98676086  0.79160084
   0.48585500  0.87289726  0.63446164
   0.21227321  0.90363806  0.66156862
   0.30960462  0.66415376 -0.04718554
   0.04572703  0.65160595  0.89378353
   0.63419574  0.03761856  0.09921156
   0.85459275  0.17820049  0.23272664
   0.58388115  0.28009490  0.03235110
   0.85876174  0.44400589  0.37035525
   0.03257160  0.34934770  0.17587129
   0.78379994  0.41029218  0.13636638
   0.71825857  0.17982308  0.40086859
   0.47166701  0.11703433  0.43704876
   0.64693243  0.07947105  0.58177397
   0.88847189  0.22328270  0.80445843
   0.58054318  0.31376216  0.53031155
   0.85433889  0.47523323  0.84224275
   0.97800627  0.45411095  0.66977510
   0.73255054  0.38708465  0.68224570
   0.76813113  0.12015573  0.95301348
   0.50641004  0.08706581  0.93401761
   0.58531063  0.53208333  0.06169872
   0.89962459  0.70062400  0.28603290
   0.60302688  0.79061756  0.04157682
   0.85360261  0.94655347  0.33650416
   0.91891380  0.87558823  0.15411106
   0.65802248  0.84387811  0.22461013
   0.82477227  0.66899903  0.46287571
   0.58505221  0.56141568  0.38687886
   0.63874440  0.57568291  0.57724009
   0.82048388  0.72819713  0.79766421
   0.59649890  0.80012309  0.46408701
   0.92365352  0.97102734  0.83239182
   0.94866455  0.85437530  0.65684209
   0.69669141  0.94338666  0.73032987
   0.80069837  0.65071083  0.97882493
   0.56766021  0.65063151  0.89072831
   0.74150010  0.80792020  0.59132906
   0.52280946  0.83116865  0.42275762
   0.89169623  0.22092638  0.06279432
   0.92033364  0.36744757  0.37721808
   0.35101163  0.09446785  0.62771786
   0.29063994  0.66703434  0.72775156
   0.18588544  1.06426160  0.17668068
   0.29453821  1.11344707  0.04069542
   0.64626978  0.34262418  0.84556035
   0.88909900  0.44618807  0.64874831
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953453    0.530223   -0.178064
    -0.000000    9.961712   -0.007873
    -0.000000    0.000000   13.965638
   Si   O    H 
    32    64    10
Direct configuration=  2139
   0.17592304  0.16144761 -0.01967680
   0.35235570  0.08491653  0.36780462
   0.14700085  0.40983534  0.10430825
   0.38528201  0.33526556  0.25208273
   0.08506848  0.16017556  0.48009753
   0.39938332  0.12151349  0.84646771
   0.11738245  0.40800174  0.61364957
   0.37683215  0.37136609  0.74238065
   0.14424091  0.67893338 -0.02120934
   0.42237606  0.57821858  0.35842437
   0.08889687  0.86708980  0.13525646
   0.34126228  0.82326578  0.24158247
   0.18367096  0.64416908  0.48107067
   0.41015985  0.61767777  0.86707118
   0.08252640  0.89716025  0.59593358
   0.36289309  0.96432836  0.68181392
   0.62812503  0.12383516  1.00264040
   0.84944191  0.11425840  0.33703353
   0.62005875  0.38972677  0.11697604
   0.89352656  0.28872286  0.15311205
   0.60982839  0.16320656  0.48244855
   0.90742713  0.10654934  0.88994700
   0.60501852  0.42623206  0.61648453
   0.77729616  0.35007396  0.79728667
   0.64713298  0.64351523 -0.00994381
   0.91914419  0.59434321  0.37521355
   0.57572008  0.89157291  0.12904775
   0.82123666  0.84535706  0.24765729
   0.66291831  0.64162995  0.47005880
   0.87934784  0.62285400  0.87971198
   0.63930234  0.91893588  0.62141657
   0.84736781  0.87429940  0.75663580
   0.10389972  0.03507977  0.13461931
   0.36251446  0.18285435  0.27147669
   0.13416864  0.32237738  0.00609155
   0.35693149  0.43530593  0.34336921
   0.53750475  0.35920613  0.21971072
   0.30390774  0.40226716  0.15746762
   0.22185455  0.12799871  0.42323563
  -0.03709928  0.18875314  0.40365321
   0.04443327  0.02686769  0.54088706
   0.45315672  0.23903313  0.78111245
   0.06452262  0.30402036  0.53548705
   0.35990355  0.46244497  0.83669101
   0.46599758  0.45798298  0.66860658
   0.23656737  0.32980887  0.67964180
   0.24635703  0.17195627 -0.12449457
   0.03274895  0.09101513  0.96213855
   0.11185080  0.56860943  0.06913104
   0.41814546  0.68175912  0.27061606
   0.11991916  0.82188079  0.02839521
   0.35059462  0.92578546  0.32929620
   0.41379077  0.89297034  0.14624454
   0.18633255  0.78671760  0.20965361
   0.34143303  0.64461066  0.44915220
   0.08342143  0.57802201  0.39594509
   0.18954365  0.54764097  0.57420486
   0.37049564  0.70477943  0.76904324
   0.13774773  0.80085202  0.51086243
   0.39454337  0.98695712  0.79253701
   0.48526575  0.87308931  0.63541020
   0.21312268  0.90349529  0.66330616
   0.30946367  0.66528504 -0.04699243
   0.04675149  0.65159971  0.89444247
   0.63526447  0.03830079  0.09860900
   0.85471873  0.17816119  0.23279347
   0.58325448  0.27997179  0.03143343
   0.85888992  0.44355085  0.37061670
   0.03063036  0.34796959  0.17481058
   0.78660744  0.41018511  0.13640498
   0.71592175  0.17966288  0.39991454
   0.47428766  0.11686260  0.43582054
   0.64754367  0.08003983  0.58189954
   0.88687831  0.22373881  0.80378689
   0.58098726  0.31354737  0.52959658
   0.85402059  0.47503657  0.84217154
   0.97827364  0.45428643  0.67013072
   0.73242863  0.38648939  0.68194284
   0.76633386  0.12279305  0.95236898
   0.50538913  0.08813735  0.93390183
   0.58547296  0.53166094  0.06032930
   0.90056880  0.70178804  0.28504858
   0.60192788  0.79042176  0.04132809
   0.85363940  0.94672723  0.33702345
   0.91924521  0.87490916  0.15384018
   0.65776945  0.84362378  0.22444385
   0.82444436  0.66919240  0.46322612
   0.58460519  0.56056403  0.38503951
   0.63943407  0.57594224  0.57653690
   0.81996669  0.72762837  0.79707711
   0.59702243  0.80108901  0.46347870
   0.92215984  0.97214154  0.83088629
   0.94952697  0.85423681  0.65688040
   0.69699542  0.94549895  0.73020880
   0.80142748  0.64971553  0.97853818
   0.56539642  0.64945605  0.89138399
   0.73971586  0.80099114  0.58657935
   0.52694970  0.83129157  0.41890881
   0.88732740  0.22302056  0.06145633
   0.92333905  0.37041543  0.37731147
   0.34930005  0.09025541  0.62447310
   0.28599809  0.66637584  0.72885141
   0.17938690  1.06039700  0.17008985
   0.28983627  1.11395179  0.04465535
   0.64418080  0.33717795  0.84980877
   0.88650037  0.44144126  0.64498725
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953168    0.532944   -0.179756
    -0.000000    9.962628   -0.009365
    -0.000000    0.000000   13.964088
   Si   O    H 
    32    64    10
Direct configuration=  2140
   0.17513500  0.16155753 -0.01942527
   0.35250583  0.08411090  0.36772483
   0.14768324  0.40989135  0.10368867
   0.38535663  0.33480099  0.25221305
   0.08540326  0.15972198  0.48017652
   0.39946922  0.12102766  0.84747951
   0.11617876  0.40802872  0.61335374
   0.37484271  0.37081925  0.74213773
   0.14548117  0.67933085 -0.01999346
   0.42319322  0.57852288  0.35770791
   0.08759702  0.86832539  0.13564690
   0.34095645  0.82213616  0.24124841
   0.18364579  0.64231843  0.48127050
   0.40981839  0.61724301  0.86664158
   0.08185403  0.89747468  0.59622858
   0.36346527  0.96398443  0.68223477
   0.62830517  0.12429609  1.00242158
   0.84814696  0.11341686  0.33599447
   0.61850752  0.38994550  0.11630536
   0.89203921  0.28763703  0.15321461
   0.60893443  0.16316044  0.48176390
   0.90690865  0.10696116  0.89018874
   0.60424410  0.42780437  0.61557590
   0.77806754  0.34967000  0.79785866
   0.64789910  0.64424875 -0.00981276
   0.91948962  0.59437092  0.37495664
   0.57611493  0.89207276  0.12789546
   0.82263372  0.84598328  0.24816722
   0.66478118  0.64080705  0.46969835
   0.87940137  0.62360004  0.87967253
   0.64037299  0.91976881  0.62175376
   0.84800805  0.87378068  0.75681965
   0.10474246  0.03680673  0.13538211
   0.36377323  0.18233933  0.27207784
   0.13478494  0.32187996  0.00530297
   0.35652177  0.43556894  0.34368922
   0.53833420  0.35862541  0.21840902
   0.30432044  0.40229573  0.15772513
   0.22162908  0.12680379  0.42324034
  -0.03552234  0.18823603  0.40337312
   0.04529830  0.02641683  0.54004812
   0.45227212  0.23822421  0.78121123
   0.06455761  0.30338250  0.53560154
   0.35775321  0.46175202  0.83725923
   0.46710060  0.45902041  0.66944495
   0.23700154  0.32940498  0.68021575
   0.24702915  0.17088362 -0.12303008
   0.03208891  0.08976735  0.96250434
   0.11160423  0.56914323  0.06912978
   0.41940318  0.68123052  0.27030075
   0.11957968  0.82256742  0.02826705
   0.34811042  0.92688790  0.32965362
   0.41304012  0.89283813  0.14602115
   0.18612109  0.78572068  0.20998984
   0.34085149  0.64283678  0.44930449
   0.08483324  0.57835809  0.39543431
   0.19065925  0.54803667  0.57479595
   0.36952132  0.70675276  0.76858972
   0.13610198  0.80007747  0.51096802
   0.39516753  0.98714449  0.79319631
   0.48477825  0.87339985  0.63654941
   0.21383887  0.90390086  0.66518535
   0.30911169  0.66589122 -0.04713487
   0.04710420  0.65148116  0.89483063
   0.63627679  0.03831843  0.09925396
   0.85455552  0.17822831  0.23305932
   0.58247114  0.28088626  0.03059423
   0.85851426  0.44308343  0.37143425
   0.02923619  0.34730002  0.17388338
   0.78920032  0.41014864  0.13599974
   0.71350837  0.17870391  0.39892449
   0.47653726  0.11625309  0.43451172
   0.64720816  0.08134803  0.58233996
   0.88568496  0.22392446  0.80360041
   0.58075266  0.31389839  0.52926706
   0.85381944  0.47456510  0.84196368
   0.97893542  0.45448139  0.67120808
   0.73316455  0.38507901  0.68194642
   0.76485098  0.12441762  0.95137387
   0.50483710  0.08937984  0.93375580
   0.58523315  0.53173536  0.05929887
   0.90027824  0.70213495  0.28391913
   0.60073073  0.79005350  0.04105351
   0.85424945  0.94695694  0.33733261
   0.91955379  0.87409729  0.15367577
   0.65806121  0.84373726  0.22460709
   0.82385559  0.66943932  0.46356659
   0.58323343  0.55970370  0.38338363
   0.64023586  0.57590765  0.57644189
   0.81939377  0.72709063  0.79706050
   0.59772449  0.80220994  0.46288946
   0.92033571  0.97253034  0.82991461
   0.95032206  0.85408480  0.65717480
   0.69872110  0.94723124  0.73073107
   0.80287395  0.64805278  0.97902898
   0.56286991  0.64827179  0.89192359
   0.73264561  0.80211360  0.58444873
   0.52854470  0.83099061  0.41466878
   0.88416998  0.22095229  0.05931955
   0.92934314  0.36794475  0.37950118
   0.34931484  0.08643448  0.62311230
   0.29369279  0.67144164  0.73707027
   0.17747137  1.06102861  0.16685223
   0.28497235  1.11320811  0.04809531
   0.64647163  0.33352864  0.85332644
   0.88513721  0.43487443  0.63926989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952781    0.535357   -0.181566
    -0.000000    9.963101   -0.010884
    -0.000000    0.000000   13.962334
   Si   O    H 
    32    64    10
Direct configuration=  2141
   0.17448535  0.16179293 -0.01938118
   0.35274226  0.08338388  0.36784484
   0.14837219  0.40995505  0.10321251
   0.38560172  0.33408979  0.25211793
   0.08561631  0.15957914  0.48058130
   0.39879933  0.12035764  0.84844868
   0.11569926  0.40793608  0.61320965
   0.37273064  0.37068386  0.74146953
   0.14769784  0.67907180 -0.01830312
   0.42352486  0.57859681  0.35749113
   0.08613776  0.87013693  0.13548671
   0.34113382  0.82119751  0.24077882
   0.18381822  0.64095123  0.48124926
   0.40910475  0.61670720  0.86628947
   0.08169350  0.89768077  0.59698306
   0.36358839  0.96305895  0.68216823
   0.62759564  0.12491303  1.00209032
   0.84632249  0.11299471  0.33525581
   0.61723883  0.39001720  0.11533616
   0.89024406  0.28603984  0.15327172
   0.60749525  0.16265113  0.48135510
   0.90618264  0.10727229  0.89050096
   0.60346058  0.42844989  0.61502618
   0.77876110  0.34982087  0.79841294
   0.64862769  0.64530333 -0.00968441
   0.91987880  0.59461626  0.37422205
   0.57635253  0.89247322  0.12659515
   0.82425203  0.84633250  0.24923567
   0.66630215  0.64032029  0.46930609
   0.87960963  0.62481467  0.87941763
   0.64105761  0.92107289  0.62167864
   0.84855924  0.87317287  0.75689025
   0.10480793  0.03760566  0.13573733
   0.36352477  0.18275559  0.27259901
   0.13573126  0.32190929  0.00463557
   0.35606996  0.43558512  0.34376965
   0.53914970  0.35813864  0.21703500
   0.30397173  0.40180718  0.15779620
   0.22086172  0.12512794  0.42324244
  -0.03473826  0.18790098  0.40353811
   0.04598884  0.02697611  0.53904421
   0.45156236  0.23693028  0.78062611
   0.06567687  0.30140797  0.53552043
   0.35555994  0.46187256  0.83791853
   0.46859177  0.45999419  0.67058142
   0.23730387  0.32880034  0.68111162
   0.24816580  0.16943199 -0.12176621
   0.03206854  0.08879865  0.96284689
   0.11161107  0.56907042  0.06876670
   0.41938755  0.68033693  0.26953379
   0.11922730  0.82266408  0.02752113
   0.34596862  0.92791118  0.32976653
   0.41235766  0.89285050  0.14646046
   0.18577113  0.78397408  0.21108048
   0.34087878  0.64104374  0.44923385
   0.08619610  0.57914457  0.39455682
   0.19161464  0.54765201  0.57566010
   0.36910393  0.70872413  0.76856290
   0.13350518  0.79900220  0.51075755
   0.39573133  0.98688049  0.79362082
   0.48440267  0.87404315  0.63693211
   0.21407020  0.90402435  0.66772426
   0.30845630  0.66683738 -0.04707153
   0.04711549  0.65164425  0.89519491
   0.63692251  0.03784553  0.10017618
   0.85359885  0.17870699  0.23341231
   0.58184974  0.28131460  0.03021828
   0.85843742  0.44247448  0.37213147
   0.02935121  0.34700708  0.17354160
   0.79059657  0.40997691  0.13628741
   0.71170323  0.17796062  0.39765922
   0.47877425  0.11532231  0.43313444
   0.64681209  0.08151256  0.58223013
   0.88376469  0.22389582  0.80316033
   0.58101850  0.31575555  0.52943344
   0.85393609  0.47425376  0.84187699
   0.97951128  0.45403772  0.67187292
   0.73387325  0.38350020  0.68282427
   0.76433498  0.12537082  0.95004345
   0.50401815  0.09040150  0.93420297
   0.58530115  0.53169861  0.05820512
   0.90015459  0.70270223  0.28251779
   0.60026200  0.79008030  0.04037970
   0.85559477  0.94794860  0.33796892
   0.91995309  0.87262192  0.15356139
   0.65842115  0.84447664  0.22489711
   0.82321954  0.66923055  0.46386124
   0.58203934  0.55906359  0.38223867
   0.64084088  0.57617751  0.57588508
   0.81899742  0.72663544  0.79680749
   0.59896907  0.80323904  0.46245435
   0.91966252  0.97211532  0.82927443
   0.95062892  0.85410658  0.65747675
   0.69981865  0.94842520  0.73171978
   0.80399895  0.64694152  0.97943348
   0.56083872  0.64690761  0.89232112
   0.72404603  0.80918396  0.58717352
   0.53149445  0.82822602  0.41032580
   0.88310390  0.21852781  0.05990321
   0.93108597  0.36537283  0.38292909
   0.35012174  0.08472457  0.62163908
   0.29982821  0.67622066  0.74128593
   0.19077792  1.06696091  0.17085755
   0.28259423  1.11327669  0.04977101
   0.65407130  0.32836148  0.85327281
   0.89870412  0.42940399  0.63665722
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952301    0.537352   -0.184160
    -0.000000    9.963364   -0.012269
    -0.000000    0.000000   13.960727
   Si   O    H 
    32    64    10
Direct configuration=  2142
   0.17364252  0.16186752 -0.01950906
   0.35359307  0.08198168  0.36780671
   0.14864425  0.41059210  0.10276487
   0.38573167  0.33425086  0.25187515
   0.08559029  0.15906605  0.48056559
   0.39796782  0.12016592  0.84971052
   0.11472826  0.40853349  0.61295796
   0.37087588  0.37038903  0.74086389
   0.14973243  0.67857312 -0.01679322
   0.42367141  0.57919622  0.35688162
   0.08504236  0.87136125  0.13486783
   0.34142937  0.82044624  0.24068641
   0.18416653  0.64007475  0.48153098
   0.40819284  0.61543917  0.86552582
   0.08186000  0.89727704  0.59792078
   0.36320280  0.96263081  0.68211539
   0.62715304  0.12584568  1.00157734
   0.84452312  0.11250718  0.33521287
   0.61672778  0.38996940  0.11453298
   0.88866494  0.28395428  0.15327480
   0.60639096  0.16225699  0.48112898
   0.90547627  0.10746336  0.89081242
   0.60267459  0.42918853  0.61415112
   0.77910682  0.35003326  0.79873255
   0.64918672  0.64620058 -0.00954350
   0.91990721  0.59485173  0.37412809
   0.57688627  0.89265042  0.12535964
   0.82560244  0.84711430  0.25029381
   0.66738983  0.63977781  0.46909237
   0.88055392  0.62625596  0.87907262
   0.64166919  0.92194608  0.62167151
   0.84937989  0.87238509  0.75701133
   0.10498583  0.03844970  0.13604441
   0.36311337  0.18254202  0.27330105
   0.13663436  0.32190176  0.00382504
   0.35503375  0.43536024  0.34333568
   0.54058877  0.35850460  0.21568620
   0.30371850  0.40081903  0.15750310
   0.22051594  0.12386555  0.42278253
  -0.03361351  0.18723940  0.40267934
   0.04651980  0.02794891  0.53786285
   0.45097366  0.23536806  0.77990930
   0.06715760  0.30014678  0.53545866
   0.35413000  0.46158268  0.83843663
   0.46881993  0.46103976  0.67106320
   0.23813154  0.32815873  0.68194786
   0.24960535  0.16861105 -0.12068161
   0.03252216  0.08762787  0.96327712
   0.11184061  0.56871968  0.06869848
   0.41828966  0.68007819  0.26832051
   0.11945185  0.82258965  0.02634293
   0.34394570  0.92905461  0.33006175
   0.41129399  0.89269817  0.14771420
   0.18491742  0.78285108  0.21236617
   0.34004119  0.63850128  0.44917287
   0.08772817  0.58000556  0.39375947
   0.19276338  0.54682468  0.57730374
   0.37081820  0.71045106  0.76953112
   0.13193739  0.79716911  0.51013771
   0.39625113  0.98619102  0.79359625
   0.48525467  0.87464064  0.63714851
   0.21413593  0.90337312  0.66956837
   0.30735869  0.66763555 -0.04679825
   0.04637393  0.65181679  0.89520526
   0.63683956  0.03735788  0.10109337
   0.85294148  0.17929483  0.23354659
   0.58028930  0.28266363  0.03024279
   0.85857338  0.44256727  0.37286735
   0.02999155  0.34734206  0.17276660
   0.78987419  0.41029971  0.13667142
   0.70988485  0.17673813  0.39627628
   0.48070934  0.11464823  0.43214965
   0.64697371  0.08137641  0.58233207
   0.88206652  0.22333050  0.80338489
   0.58149262  0.31730723  0.52992645
   0.85460432  0.47385425  0.84205777
   0.98046533  0.45374535  0.67270452
   0.73457501  0.38165435  0.68338441
   0.76460421  0.12582724  0.94835677
   0.50397803  0.09195958  0.93476141
   0.58519498  0.53154801  0.05695564
   0.90058032  0.70217278  0.28097393
   0.60040704  0.79016991  0.03930809
   0.85651824  0.94870545  0.33866272
   0.92008794  0.87185098  0.15352051
   0.65947472  0.84553429  0.22558583
   0.82283081  0.66799828  0.46377330
   0.58217969  0.55802976  0.38185786
   0.64126820  0.57640994  0.57510242
   0.81872715  0.72600747  0.79660912
   0.59928715  0.80441321  0.46159905
   0.91862086  0.97080360  0.82847661
   0.95056038  0.85427485  0.65814604
   0.70098375  0.95003341  0.73231529
   0.80605821  0.64544023  0.98026117
   0.55999614  0.64540664  0.89251477
   0.72099648  0.82032308  0.59166729
   0.53484030  0.82440992  0.40829459
   0.88738794  0.21628047  0.06118298
   0.92814320  0.36966793  0.38686783
   0.34740148  0.08758938  0.62193898
   0.27789753  0.67099529  0.73394926
   0.19501022  1.06932608  0.17165344
   0.27909242  1.11329632  0.04843252
   0.66134065  0.32514898  0.85323052
   0.91212819  0.42311079  0.63260799
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951923    0.538932   -0.186747
    -0.000000    9.963004   -0.013662
    -0.000000    0.000000   13.959113
   Si   O    H 
    32    64    10
Direct configuration=  2143
   0.17228796  0.16180698 -0.01946125
   0.35452942  0.08076349  0.36774592
   0.14832380  0.41153189  0.10238820
   0.38568038  0.33520844  0.25155743
   0.08511039  0.15918925  0.48048118
   0.39692325  0.12071189  0.85068065
   0.11389794  0.40890259  0.61301403
   0.36911053  0.37055553  0.74014362
   0.15175301  0.67798027 -0.01558023
   0.42342534  0.57940669  0.35690463
   0.08419903  0.87219746  0.13452430
   0.34159811  0.81947493  0.24021946
   0.18431748  0.63938478  0.48182162
   0.40680593  0.61426363  0.86464548
   0.08218402  0.89605121  0.59921662
   0.36290037  0.96283681  0.68213543
   0.62706714  0.12720332  1.00111865
   0.84225776  0.11269536  0.33567110
   0.61611850  0.39003361  0.11356856
   0.88751600  0.28205529  0.15301792
   0.60571884  0.16211374  0.48113888
   0.90478153  0.10730108  0.89082479
   0.60220332  0.42953229  0.61327495
   0.77864271  0.35011338  0.79860723
   0.64944656  0.64663039 -0.00944067
   0.92035094  0.59445116  0.37411657
   0.57725509  0.89236720  0.12462399
   0.82773326  0.84747477  0.25094666
   0.66782721  0.63903473  0.46839200
   0.88147047  0.62752460  0.87888464
   0.64176297  0.92348156  0.62216824
   0.84962402  0.87218606  0.75674742
   0.10612826  0.03960043  0.13706324
   0.36175999  0.18191897  0.27380452
   0.13765177  0.32201197  0.00344034
   0.35498585  0.43544446  0.34299784
   0.54129832  0.35834151  0.21469520
   0.30341202  0.39972223  0.15745020
   0.22106156  0.12278658  0.42326355
  -0.03322464  0.18629202  0.40173050
   0.04662009  0.02950692  0.53709380
   0.45105225  0.23431162  0.77878491
   0.06944623  0.29862540  0.53535912
   0.35271070  0.46147232  0.83924670
   0.46843520  0.46110063  0.67216316
   0.23881517  0.32760286  0.68227316
   0.25028298  0.16790533 -0.12011188
   0.03253991  0.08733484  0.96356767
   0.11214557  0.56808715  0.06842270
   0.41690371  0.67976010  0.26731184
   0.11918624  0.82315697  0.02520366
   0.34161352  0.92976826  0.33008611
   0.40993242  0.89224659  0.14876187
   0.18409683  0.78205546  0.21350162
   0.33988146  0.63646046  0.44949109
   0.08779571  0.58153960  0.39360377
   0.19404695  0.54544792  0.57892042
   0.37109382  0.71093868  0.77014826
   0.13018677  0.79520248  0.50975149
   0.39603280  0.98392755  0.79379942
   0.48644190  0.87499925  0.63746354
   0.21445309  0.90214007  0.67135214
   0.30724007  0.66766339 -0.04696907
   0.04583666  0.65166537  0.89485516
   0.63716846  0.03725221  0.10206827
   0.85264741  0.17969758  0.23415556
   0.57970485  0.28329866  0.03092584
   0.85901197  0.44299951  0.37332321
   0.03135865  0.34836394  0.17189142
   0.78782165  0.41037890  0.13755096
   0.70872506  0.17491752  0.39446921
   0.48182131  0.11269195  0.43103825
   0.64700653  0.08028482  0.58215271
   0.88111245  0.22242711  0.80373021
   0.58170375  0.31808928  0.53015128
   0.85533105  0.47376566  0.84278046
   0.98177071  0.45271495  0.67344507
   0.73503785  0.38007394  0.68364388
   0.76476951  0.12631698  0.94661373
   0.50389312  0.09305386  0.93636950
   0.58465347  0.53119387  0.05689649
   0.90133193  0.70185603  0.27979506
   0.60155719  0.79059713  0.03778417
   0.85738011  0.94966655  0.33888487
   0.91984298  0.87097335  0.15339163
   0.66163956  0.84678139  0.22542684
   0.82210241  0.66656005  0.46330392
   0.58270112  0.55674517  0.38142184
   0.64127897  0.57667930  0.57385675
   0.81955149  0.72515254  0.79652476
   0.60010165  0.80496601  0.46041982
   0.91769359  0.97052526  0.82809735
   0.95104851  0.85457722  0.65878669
   0.70224569  0.95120432  0.73322834
   0.80906341  0.64360077  0.98099044
   0.55833516  0.64348667  0.89251537
   0.72572714  0.82200989  0.59393339
   0.54051837  0.82242536  0.40601249
   0.89173398  0.21065327  0.06293247
   0.92397397  0.37453760  0.39171496
   0.34602954  0.09129113  0.62260880
   0.26929645  0.67105764  0.73082698
   0.18796856  1.06799064  0.16940667
   0.27825009  1.11344924  0.04632235
   0.66584500  0.32379369  0.85409684
   0.91618683  0.41595325  0.62609841
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951765    0.540421   -0.189042
    -0.000000    9.962425   -0.015220
    -0.000000    0.000000   13.957528
   Si   O    H 
    32    64    10
Direct configuration=  2144
   0.17103211  0.16142040 -0.01924670
   0.35560481  0.07964300  0.36817782
   0.14762641  0.41308857  0.10270253
   0.38533698  0.33620477  0.25133691
   0.08424072  0.15915693  0.48020509
   0.39588707  0.12067574  0.85143413
   0.11394794  0.40930610  0.61310412
   0.36819005  0.37077090  0.73966093
   0.15345947  0.67671812 -0.01421653
   0.42239217  0.57919455  0.35684803
   0.08380946  0.87336152  0.13408508
   0.34110541  0.81856652  0.23985777
   0.18480201  0.63906835  0.48206667
   0.40538999  0.61321068  0.86366015
   0.08260035  0.89449572  0.60024847
   0.36311637  0.96308938  0.68191138
   0.62705886  0.12904078  1.00075747
   0.84010508  0.11360753  0.33617567
   0.61618181  0.38991316  0.11273042
   0.88711560  0.28029151  0.15291638
   0.60487770  0.16280226  0.48131210
   0.90422001  0.10685750  0.89056494
   0.60227549  0.42962678  0.61254255
   0.77832530  0.35030465  0.79863006
   0.65030352  0.64639168 -0.00882880
   0.92030850  0.59419642  0.37393916
   0.57693564  0.89269530  0.12412085
   0.82976260  0.84799045  0.25158476
   0.66829828  0.63863707  0.46774240
   0.88276464  0.62790266  0.87873234
   0.64141350  0.92482227  0.62302412
   0.84996977  0.87232626  0.75612512
   0.10720469  0.04072430  0.13844878
   0.36032023  0.18059412  0.27371634
   0.13818445  0.32179721  0.00314343
   0.35547355  0.43511192  0.34299168
   0.54156645  0.35822368  0.21315053
   0.30322812  0.39917603  0.15738913
   0.22264744  0.12272167  0.42343052
  -0.03309883  0.18545652  0.40088802
   0.04769167  0.03072891  0.53700541
   0.45110853  0.23337273  0.77807761
   0.07137627  0.29711317  0.53512273
   0.35055243  0.46175490  0.84001200
   0.46743030  0.46115754  0.67353266
   0.23883995  0.32727198  0.68240683
   0.25143500  0.16718908 -0.11957043
   0.03252975  0.08710248  0.96336950
   0.11242981  0.56729978  0.06814657
   0.41430296  0.68056285  0.26635366
   0.11840085  0.82427728  0.02402185
   0.33920573  0.93021244  0.33052947
   0.40887338  0.89263178  0.15032284
   0.18367289  0.78165098  0.21385440
   0.33918825  0.63497433  0.44930740
   0.08793394  0.58285646  0.39352931
   0.19412372  0.54391532  0.58000149
   0.37058087  0.71030529  0.77047111
   0.12883660  0.79260425  0.50964636
   0.39495161  0.98166352  0.79366950
   0.48746185  0.87584377  0.63814138
   0.21424837  0.90227398  0.67306148
   0.30740082  0.66808691 -0.04681302
   0.04476149  0.65186039  0.89435900
   0.63795289  0.03785820  0.10271927
   0.85142524  0.18025014  0.23490417
   0.57985346  0.28344273  0.03234682
   0.85844258  0.44454186  0.37303834
   0.03302980  0.34974904  0.17148496
   0.78485306  0.41054921  0.13883798
   0.70831188  0.17414728  0.39265910
   0.48265416  0.11037875  0.42988250
   0.64699588  0.07967683  0.58175329
   0.88064535  0.22112263  0.80432010
   0.58216179  0.31859180  0.53040088
   0.85696563  0.47411742  0.84366106
   0.98279921  0.45224005  0.67379097
   0.73596030  0.37843357  0.68323628
   0.76421940  0.12755373  0.94516591
   0.50284135  0.09439892  0.93768062
   0.58391818  0.53100561  0.05777507
   0.90125981  0.70094656  0.27917075
   0.60286729  0.79126344  0.03603543
   0.85834142  0.95180977  0.33924830
   0.92060096  0.86977571  0.15385548
   0.66308245  0.84787406  0.22563493
   0.82223835  0.66571774  0.46241439
   0.58344194  0.55548721  0.38144546
   0.64144703  0.57697615  0.57235416
   0.82060968  0.72411181  0.79666887
   0.60143038  0.80535342  0.45840657
   0.91703291  0.97012561  0.82793176
   0.95127261  0.85544064  0.65874864
   0.70342250  0.95206831  0.73382901
   0.81228375  0.64138312  0.98153427
   0.55696240  0.64233318  0.89216365
   0.73738651  0.81653276  0.59136204
   0.54278652  0.82114107  0.40342944
   0.89200112  0.20527193  0.06260731
   0.92465375  0.37365313  0.39738940
   0.34736568  0.09254898  0.62211340
   0.27882726  0.67788469  0.73501303
   0.18412347  1.06674335  0.16652102
   0.27542024  1.11485006  0.04314677
   0.66560409  0.32024638  0.85614887
   0.91843091  0.41392186  0.62711988
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951211    0.540870   -0.191119
    -0.000000    9.961992   -0.017056
    -0.000000    0.000000   13.955425
   Si   O    H 
    32    64    10
Direct configuration=  2145
   0.17015421  0.16201630 -0.01872252
   0.35620373  0.07878057  0.36811476
   0.14684476  0.41437057  0.10263277
   0.38534468  0.33651005  0.25091421
   0.08351687  0.15923229  0.47994177
   0.39488327  0.12032747  0.85217478
   0.11452709  0.40999411  0.61347480
   0.36811266  0.37095602  0.73953156
   0.15407225  0.67493690 -0.01324868
   0.42120240  0.57951936  0.35658419
   0.08380143  0.87482184  0.13344981
   0.34052863  0.81820344  0.23915314
   0.18495456  0.63896393  0.48230488
   0.40413832  0.61241796  0.86252872
   0.08264217  0.89286331  0.60120744
   0.36295230  0.96361968  0.68234645
   0.62689164  0.13163019  1.00080174
   0.83839436  0.11505221  0.33709993
   0.61626187  0.38992451  0.11183833
   0.88691647  0.27876413  0.15288406
   0.60415477  0.16363220  0.48205269
   0.90381644  0.10677918  0.89015653
   0.60271628  0.42955915  0.61182887
   0.77782471  0.35022354  0.79888437
   0.65040619  0.64577507 -0.00806721
   0.92033299  0.59378261  0.37382043
   0.57676724  0.89261383  0.12367070
   0.83059016  0.84884417  0.25170902
   0.66862114  0.63831013  0.46667694
   0.88430889  0.62818490  0.87858017
   0.64135521  0.92564928  0.62388634
   0.84989893  0.87192922  0.75534958
   0.10739228  0.04102346  0.13946425
   0.35936756  0.17913439  0.27331054
   0.13842914  0.32180578  0.00227834
   0.35625685  0.43484826  0.34274396
   0.54180894  0.35875520  0.21155376
   0.30231289  0.39922742  0.15774144
   0.22283869  0.12320518  0.42380215
  -0.03295664  0.18485623  0.39946965
   0.04896486  0.03170667  0.53741338
   0.45052234  0.23298727  0.77675886
   0.07412360  0.29553011  0.53493318
   0.34872029  0.46186178  0.84090233
   0.46589226  0.46108422  0.67493729
   0.23876435  0.32675515  0.68183816
   0.25199124  0.16704765 -0.11912938
   0.03193778  0.08699312  0.96305252
   0.11300996  0.56651205  0.06795334
   0.41198315  0.68099940  0.26520754
   0.11816391  0.82643614  0.02377064
   0.33682952  0.93012111  0.33036760
   0.40889741  0.89367734  0.15175500
   0.18365035  0.78171563  0.21440466
   0.33867490  0.63461260  0.44887798
   0.08784217  0.58403146  0.39401703
   0.19482682  0.54185813  0.57997006
   0.36922017  0.70984867  0.77058444
   0.12768640  0.78987189  0.50942552
   0.39505035  0.97958610  0.79355900
   0.48831907  0.87716025  0.63847688
   0.21417389  0.90283058  0.67411657
   0.30760445  0.66882879 -0.04663555
   0.04402497  0.65197158  0.89321707
   0.63796303  0.03790200  0.10289540
   0.85037684  0.18157949  0.23614603
   0.58053494  0.28391239  0.03389404
   0.85694065  0.44596060  0.37241980
   0.03465988  0.35112442  0.17190113
   0.78058455  0.40970495  0.14011402
   0.70859514  0.17332120  0.39085179
   0.48270102  0.10803256  0.42894715
   0.64643517  0.07936790  0.58091032
   0.88100565  0.21993340  0.80446101
   0.58183661  0.31849390  0.53059382
   0.85980317  0.47345435  0.84468746
   0.98406034  0.45155001  0.67394679
   0.73726365  0.37693326  0.68261812
   0.76281740  0.12881516  0.94387395
   0.50113100  0.09489115  0.93881500
   0.58465008  0.53093508  0.05894713
   0.90077875  0.69914653  0.27945442
   0.60377411  0.79117687  0.03416340
   0.85879501  0.95378678  0.34029450
   0.92144616  0.86936020  0.15433813
   0.66438398  0.84928072  0.22588478
   0.82246962  0.66409221  0.46106301
   0.58428055  0.55433776  0.38147767
   0.64184682  0.57794521  0.57130887
   0.82108569  0.72437527  0.79649041
   0.60261297  0.80538576  0.45736265
   0.91681151  0.96932886  0.82895612
   0.95121870  0.85605163  0.65934955
   0.70473066  0.95283882  0.73427786
   0.81542191  0.63926062  0.98164101
   0.55644219  0.64129604  0.89187985
   0.74925792  0.81315480  0.58876352
   0.54182901  0.81977904  0.40080632
   0.88967876  0.20250272  0.06229896
   0.92274152  0.37212705  0.39939886
   0.34798635  0.09119175  0.62094928
   0.29976047  0.68911145  0.74270725
   0.19325255  1.06833504  0.16938877
   0.27464888  1.11159131  0.04232035
   0.66095914  0.31733914  0.85928772
   0.91300113  0.41544162  0.63204760
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950465    0.541569   -0.193521
    -0.000000    9.961755   -0.019007
    -0.000000    0.000000   13.953366
   Si   O    H 
    32    64    10
Direct configuration=  2146
   0.16924598  0.16235842 -0.01832023
   0.35654490  0.07852634  0.36760892
   0.14594532  0.41543135  0.10217141
   0.38559622  0.33700071  0.25049157
   0.08290460  0.15907607  0.47989481
   0.39367267  0.11984269  0.85299573
   0.11487181  0.41026664  0.61380779
   0.36739646  0.37171582  0.73963782
   0.15514262  0.67368437 -0.01273551
   0.42002947  0.58012682  0.35639227
   0.08391366  0.87645908  0.13337896
   0.33986507  0.81887642  0.23876315
   0.18460436  0.63931989  0.48272601
   0.40274644  0.61181375  0.86142789
   0.08317724  0.89145657  0.60190204
   0.36296656  0.96438382  0.68268471
   0.62676132  0.13410835  1.00076385
   0.83683339  0.11644265  0.33802115
   0.61660506  0.39097311  0.11059922
   0.88743148  0.27779650  0.15294288
   0.60430666  0.16495883  0.48264918
   0.90285921  0.10736639  0.88964331
   0.60369707  0.42880938  0.61132028
   0.77739979  0.35019992  0.79892015
   0.64977948  0.64514441 -0.00684805
   0.92034534  0.59319658  0.37379474
   0.57634915  0.89251628  0.12276915
   0.83118871  0.84812428  0.25146881
   0.66823331  0.63820749  0.46565931
   0.88515391  0.62815641  0.87853548
   0.64085004  0.92625447  0.62472210
   0.85006181  0.87152720  0.75466056
   0.10774109  0.04138480  0.14026577
   0.35819509  0.17894436  0.27340882
   0.13855602  0.32148144  0.00135857
   0.35701764  0.43462927  0.34196313
   0.54193293  0.35896599  0.21037111
   0.30102421  0.39855740  0.15742105
   0.22257738  0.12436867  0.42451223
  -0.03291543  0.18445167  0.39812870
   0.05000461  0.03205824  0.53866728
   0.45076705  0.23221617  0.77576554
   0.07644797  0.29465534  0.53476945
   0.34711223  0.46188685  0.84141113
   0.46466372  0.46133058  0.67662871
   0.23832577  0.32744133  0.68120793
   0.25207931  0.16729308 -0.11806129
   0.03093230  0.08784511  0.96262952
   0.11463806  0.56486994  0.06786475
   0.41003602  0.68094761  0.26426223
   0.11801320  0.82926594  0.02426158
   0.33455264  0.92935071  0.33007068
   0.40891627  0.89401052  0.15289367
   0.18386557  0.78230334  0.21457597
   0.33788441  0.63469600  0.44810381
   0.08823058  0.58480089  0.39493471
   0.19406986  0.54073643  0.58001275
   0.36980779  0.71107464  0.77196626
   0.12691692  0.78763188  0.50983723
   0.39564243  0.97800345  0.79309841
   0.49047390  0.87877938  0.63888475
   0.21294478  0.90274153  0.67458943
   0.30768471  0.66974263 -0.04627675
   0.04360978  0.65200570  0.89216755
   0.63756768  0.03817417  0.10231520
   0.84959435  0.18382013  0.23746992
   0.58114104  0.28435450  0.03561342
   0.85592799  0.44776725  0.37154019
   0.03647425  0.35186510  0.17237789
   0.77603972  0.40855928  0.14082857
   0.70850110  0.17235781  0.38945791
   0.48166477  0.10560105  0.42806007
   0.64654289  0.07835636  0.57976985
   0.88185636  0.21871453  0.80407450
   0.58175133  0.31776581  0.53063372
   0.86233663  0.47270218  0.84557846
   0.98453533  0.45061271  0.67384325
   0.73812767  0.37635660  0.68193552
   0.76131700  0.12994875  0.94242120
   0.49929552  0.09452605  0.93979848
   0.58494339  0.53094098  0.06025562
   0.90064171  0.69725023  0.27973971
   0.60515080  0.79016820  0.03296726
   0.85879854  0.95515013  0.34139822
   0.92216829  0.86904406  0.15545341
   0.66569602  0.85038181  0.22601060
   0.82408087  0.66229215  0.45941437
   0.58468753  0.55337531  0.38184077
   0.64226545  0.57858407  0.57083537
   0.82110485  0.72409648  0.79575267
   0.60373010  0.80475765  0.45636278
   0.91582844  0.96883791  0.83004052
   0.95139775  0.85562435  0.66001092
   0.70612157  0.95347805  0.73444717
   0.81763306  0.63764803  0.98178058
   0.55638235  0.64062177  0.89137002
   0.75703600  0.81325618  0.58692216
   0.54206307  0.81528676  0.39892330
   0.88817628  0.19897013  0.06385755
   0.91412731  0.37285946  0.39825760
   0.34633960  0.08528524  0.62303461
   0.28423390  0.69070668  0.73250197
   0.19876057  1.06792152  0.17045419
   0.27728253  1.10740328  0.04259554
   0.65710436  0.31922168  0.85999167
   0.90485509  0.42022431  0.63749174
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949556    0.543032   -0.196290
    -0.000000    9.961412   -0.021328
    -0.000000    0.000000   13.950882
   Si   O    H 
    32    64    10
Direct configuration=  2147
   0.16868169  0.16279709 -0.01808917
   0.35692752  0.07814737  0.36701276
   0.14484051  0.41664043  0.10179889
   0.38562895  0.33691653  0.24974293
   0.08217391  0.15837299  0.47938877
   0.39320530  0.11944999  0.85325023
   0.11578365  0.41029872  0.61442171
   0.36715552  0.37197127  0.74023077
   0.15601889  0.67274863 -0.01296045
   0.41874706  0.58058862  0.35608369
   0.08465200  0.87793006  0.13308518
   0.33935411  0.82022161  0.23828633
   0.18423247  0.63955696  0.48358882
   0.40130566  0.61121655  0.86024073
   0.08369828  0.89046236  0.60229431
   0.36237461  0.96504841  0.68339713
   0.62665444  0.13650486  1.00075331
   0.83549627  0.11844407  0.33907502
   0.61794131  0.39196187  0.10947016
   0.88767835  0.27702917  0.15301687
   0.60526998  0.16669253  0.48312387
   0.90174591  0.10758612  0.88879253
   0.60411017  0.42878020  0.61141655
   0.77752695  0.35030760  0.79893761
   0.64906272  0.64487919 -0.00570883
   0.92087563  0.59320381  0.37336717
   0.57592378  0.89231459  0.12226352
   0.83180552  0.84748542  0.25149051
   0.66802501  0.63844130  0.46473020
   0.88612877  0.62823231  0.87814805
   0.64078679  0.92635357  0.62562868
   0.84994655  0.87168203  0.75384481
   0.10975354  0.04129064  0.14175750
   0.35734270  0.17930150  0.27364942
   0.13934201  0.32147747  0.00054863
   0.35808567  0.43459297  0.34146151
   0.54161409  0.35951217  0.20959631
   0.29893265  0.39758676  0.15642677
   0.22231964  0.12463706  0.42577904
  -0.03375573  0.18417638  0.39714640
   0.05009529  0.03204642  0.53988536
   0.45103525  0.23191547  0.77522676
   0.07852663  0.29461801  0.53505699
   0.34549855  0.46163576  0.84131979
   0.46407771  0.46083943  0.67810098
   0.23693854  0.32784233  0.68079482
   0.25304589  0.16759242 -0.11704536
   0.03029865  0.08790761  0.96256570
   0.11697617  0.56359631  0.06828292
   0.40829968  0.68004652  0.26367351
   0.11816975  0.83175408  0.02511251
   0.33298301  0.92795270  0.32989373
   0.40938384  0.89452462  0.15411016
   0.18373457  0.78338282  0.21468601
   0.33723629  0.63511711  0.44702560
   0.08886818  0.58534006  0.39624608
   0.19326225  0.54003762  0.57970138
   0.36930950  0.71191986  0.77261195
   0.12597148  0.78583115  0.51052879
   0.39671758  0.97662442  0.79222669
   0.49228139  0.87996165  0.63938799
   0.21196976  0.90239854  0.67549528
   0.30759968  0.67063393 -0.04681967
   0.04399397  0.65194451  0.89100599
   0.63654101  0.03833079  0.10162826
   0.84835723  0.18623856  0.23835120
   0.58096817  0.28515777  0.03694065
   0.85524602  0.44944404  0.37049765
   0.03849536  0.35197400  0.17313637
   0.77138584  0.40711131  0.14140940
   0.70838815  0.17143227  0.38843402
   0.48056336  0.10350113  0.42725467
   0.64608902  0.07698617  0.57836470
   0.88335555  0.21740450  0.80341035
   0.58169302  0.31693558  0.53054817
   0.86460508  0.47213950  0.84653297
   0.98532451  0.44917660  0.67331186
   0.73829839  0.37653758  0.68095214
   0.76008769  0.13072130  0.94145208
   0.49724359  0.09502593  0.94039348
   0.58484726  0.53148389  0.06121014
   0.90073430  0.69545066  0.28036679
   0.60658771  0.79024960  0.03215058
   0.85925580  0.95553043  0.34224207
   0.92295967  0.86821884  0.15656704
   0.66728543  0.85096461  0.22593111
   0.82615764  0.66062681  0.45741595
   0.58358637  0.55222875  0.38238008
   0.64321272  0.57878911  0.57114617
   0.82079471  0.72422023  0.79523525
   0.60426132  0.80318443  0.45522772
   0.91553695  0.96931508  0.83083523
   0.95137483  0.85480888  0.66121577
   0.70703576  0.95415315  0.73413870
   0.81919984  0.63650222  0.98250006
   0.55677186  0.63935737  0.89055684
   0.75430015  0.82060572  0.58684659
   0.54654305  0.80820839  0.39842308
   0.88695479  0.19429261  0.06377896
   0.90582470  0.37272957  0.39810829
   0.34153210  0.08076313  0.62772088
   0.27568963  0.69336460  0.72857818
   0.19152309  1.06306457  0.16879157
   0.28187779  1.10229012  0.04286723
   0.65420075  0.32346574  0.85890460
   0.89360249  0.42606671  0.64507912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948469    0.544188   -0.198895
    -0.000000    9.961107   -0.023119
    -0.000000    0.000000   13.948199
   Si   O    H 
    32    64    10
Direct configuration=  2148
   0.16778463  0.16271325 -0.01776442
   0.35662763  0.07775832  0.36557769
   0.14423603  0.41720362  0.10163694
   0.38600048  0.33693627  0.24867551
   0.08177164  0.15728730  0.47789080
   0.39335148  0.11874730  0.85343978
   0.11632424  0.41018209  0.61507164
   0.36778269  0.37180646  0.74094498
   0.15681872  0.67218114 -0.01313181
   0.41766689  0.58067520  0.35622518
   0.08547756  0.87970647  0.13255269
   0.33816092  0.82159701  0.23847163
   0.18385375  0.63960442  0.48443147
   0.40028482  0.61088907  0.85940297
   0.08387975  0.88937668  0.60283644
   0.36155671  0.96548484  0.68387109
   0.62673917  0.13888757  1.00095975
   0.83489454  0.12080480  0.34000454
   0.61927513  0.39302740  0.10882041
   0.88799700  0.27730565  0.15306576
   0.60661624  0.16860750  0.48299628
   0.90094145  0.10737729  0.88787161
   0.60419420  0.42899113  0.61117889
   0.77713467  0.34999555  0.79909073
   0.64808172  0.64405711 -0.00439523
   0.92144275  0.59362539  0.37294318
   0.57530885  0.89223146  0.12197532
   0.83262212  0.84668179  0.25143809
   0.66777317  0.63898158  0.46386017
   0.88697257  0.62792697  0.87793918
   0.64100336  0.92650050  0.62648580
   0.84954510  0.87255738  0.75301114
   0.11143770  0.04065169  0.14268514
   0.35632866  0.17963436  0.27408873
   0.13974376  0.32218653  0.00051717
   0.35873049  0.43407616  0.34063591
   0.54142073  0.35977488  0.20893302
   0.29648183  0.39619378  0.15546137
   0.22247071  0.12472452  0.42663186
  -0.03499421  0.18357527  0.39646721
   0.04975282  0.03050749  0.54164977
   0.45098908  0.23138207  0.77530666
   0.08022415  0.29556589  0.53550146
   0.34410775  0.46208275  0.84140263
   0.46374496  0.46070616  0.67935753
   0.23531569  0.32967928  0.68049370
   0.25317585  0.16876388 -0.11611071
   0.02967431  0.08812526  0.96226087
   0.11897109  0.56256921  0.06882961
   0.40645343  0.67885352  0.26309389
   0.11882800  0.83347032  0.02547732
   0.33191405  0.92647998  0.32972617
   0.41086071  0.89546290  0.15441540
   0.18299837  0.78493266  0.21472949
   0.33648950  0.63630044  0.44555737
   0.08838118  0.58599955  0.39731969
   0.19287707  0.53981086  0.57949362
   0.36807716  0.71301354  0.77221463
   0.12482313  0.78468885  0.51163442
   0.39807778  0.97552665  0.79151933
   0.49362330  0.88149107  0.63984583
   0.21114402  0.90180712  0.67709441
   0.30811522  0.67151290 -0.04709812
   0.04501885  0.65198391  0.89059462
   0.63512865  0.03920091  0.10087991
   0.84739369  0.18798902  0.23918201
   0.58065395  0.28513390  0.03784377
   0.85416715  0.45066933  0.37034328
   0.03998096  0.35193690  0.17382081
   0.76798679  0.40602216  0.14241536
   0.70792254  0.17140871  0.38772980
   0.47993225  0.10189272  0.42645120
   0.64582382  0.07610262  0.57733050
   0.88458585  0.21703607  0.80217879
   0.58130847  0.31615300  0.53062830
   0.86642396  0.47190305  0.84763335
   0.98543518  0.44845830  0.67287639
   0.73897620  0.37687922  0.68027395
   0.75863046  0.13147342  0.94117170
   0.49508409  0.09573751  0.94095785
   0.58456524  0.53280660  0.06183313
   0.90091304  0.69335595  0.28072075
   0.60732617  0.79132634  0.03169363
   0.86002776  0.95585290  0.34307058
   0.92357150  0.86770319  0.15761582
   0.66817953  0.85254215  0.22576913
   0.82846742  0.65921087  0.45566672
   0.58136859  0.55106923  0.38315479
   0.64471924  0.57856926  0.57130742
   0.82047487  0.72418568  0.79469989
   0.60533168  0.80127951  0.45430405
   0.91524002  0.96980923  0.83176067
   0.95170125  0.85415567  0.66285376
   0.70744562  0.95448612  0.73349844
   0.82084962  0.63580421  0.98313128
   0.55817474  0.63837737  0.88968939
   0.75018543  0.82799884  0.59024283
   0.54694863  0.80441326  0.39619088
   0.88593867  0.18954436  0.06461723
   0.90146298  0.37083559  0.39640447
   0.33842045  0.07996857  0.62927352
   0.28331980  0.69566166  0.72987940
   0.19726064  1.06222101  0.17061290
   0.28270523  1.09738072  0.04236553
   0.65715175  0.32928743  0.85586220
   0.89136812  0.43355687  0.65436372
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947602    0.544918   -0.201029
    -0.000000    9.960881   -0.024979
    -0.000000    0.000000   13.945647
   Si   O    H 
    32    64    10
Direct configuration=  2149
   0.16711918  0.16250417 -0.01746001
   0.35555254  0.07710503  0.36474286
   0.14403737  0.41722390  0.10130520
   0.38638072  0.33734567  0.24742054
   0.08140446  0.15607779  0.47643966
   0.39345047  0.11878330  0.85340699
   0.11680693  0.41002335  0.61578660
   0.36788139  0.37135039  0.74180140
   0.15712338  0.67172146 -0.01359172
   0.41685260  0.58127197  0.35659054
   0.08605786  0.88145339  0.13221554
   0.33639005  0.82311724  0.23877191
   0.18409560  0.63898754  0.48520538
   0.39920027  0.61098791  0.85926490
   0.08406205  0.88847513  0.60327028
   0.36052291  0.96595596  0.68412181
   0.62664411  0.14045149  1.00162840
   0.83458609  0.12236507  0.34143769
   0.61989118  0.39432118  0.10848370
   0.88841545  0.27798700  0.15322741
   0.60827561  0.16995713  0.48278323
   0.90004339  0.10702812  0.88714263
   0.60490855  0.42939096  0.61117444
   0.77708618  0.34988742  0.79952808
   0.64792143  0.64342212 -0.00308766
   0.92227947  0.59453592  0.37245894
   0.57446583  0.89141030  0.12193152
   0.83338601  0.84639605  0.25122349
   0.66691505  0.63968039  0.46325481
   0.88787103  0.62704240  0.87788534
   0.64114075  0.92655553  0.62660884
   0.85010320  0.87360122  0.75215646
   0.11318100  0.03956173  0.14384251
   0.35583252  0.18036084  0.27466763
   0.13975870  0.32284053  0.00108098
   0.35978307  0.43335095  0.33950932
   0.54172027  0.35927143  0.20865622
   0.29329745  0.39547601  0.15455675
   0.22290618  0.12464365  0.42725981
  -0.03615025  0.18225336  0.39533505
   0.04936896  0.02915497  0.54380182
   0.45095358  0.23021713  0.77606376
   0.08156134  0.29694391  0.53563143
   0.34301948  0.46274572  0.84046281
   0.46359669  0.46056179  0.67964521
   0.23375770  0.33132703  0.68002342
   0.25286307  0.16952369 -0.11565866
   0.02900005  0.08892634  0.96152643
   0.12070513  0.56262289  0.06878913
   0.40488877  0.67744163  0.26251512
   0.11924602  0.83515688  0.02570115
   0.33065448  0.92498567  0.32929221
   0.41276313  0.89665157  0.15458368
   0.18258089  0.78552606  0.21436327
   0.33572849  0.63789873  0.44412614
   0.08744480  0.58690896  0.39818051
   0.19250103  0.53944646  0.57916370
   0.36651316  0.71473862  0.77071941
   0.12409240  0.78418455  0.51318386
   0.39980270  0.97474193  0.79170002
   0.49345202  0.88280080  0.63997390
   0.21033052  0.90068532  0.67826002
   0.30922035  0.67140961 -0.04818936
   0.04698733  0.65218139  0.89058082
   0.63340858  0.04051310  0.09973100
   0.84604272  0.18954971  0.24034126
   0.58019896  0.28438335  0.03807070
   0.85353905  0.45134933  0.36992317
   0.04193389  0.35276368  0.17463425
   0.76597013  0.40521658  0.14343297
   0.70629125  0.17082030  0.38806039
   0.47986693  0.10014524  0.42598987
   0.64635176  0.07500574  0.57607080
   0.88541917  0.21722436  0.80056615
   0.58070247  0.31556811  0.53082455
   0.86763995  0.47089013  0.84771485
   0.98576026  0.44765182  0.67240564
   0.73957532  0.37755722  0.67957154
   0.75657198  0.13246412  0.94088408
   0.49342390  0.09647418  0.94171417
   0.58393153  0.53420468  0.06211966
   0.90068362  0.69207476  0.28100798
   0.60751001  0.79265409  0.03158488
   0.86063164  0.95587985  0.34317613
   0.92425464  0.86725348  0.15790735
   0.66942516  0.85384314  0.22531951
   0.83048342  0.65765291  0.45429844
   0.57932878  0.55083609  0.38333101
   0.64623849  0.57811042  0.57131815
   0.82012840  0.72373958  0.79381373
   0.60554022  0.79947302  0.45323742
   0.91445739  0.96924700  0.83322601
   0.95257942  0.85359487  0.66374044
   0.70700163  0.95545064  0.73319590
   0.82163236  0.63556504  0.98423407
   0.55960849  0.63764872  0.88955678
   0.74410913  0.83535884  0.59270283
   0.54330583  0.80499910  0.39477797
   0.88770623  0.18800440  0.06508425
   0.89897861  0.36859840  0.39272264
   0.33294594  0.08363226  0.62881139
   0.29986736  0.69823811  0.73452877
   0.20318736  1.06531089  0.17281229
   0.28246800  1.09415254  0.03970218
   0.65810956  0.33285254  0.85304032
   0.88958642  0.43943188  0.66294506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946779    0.545663   -0.203033
    -0.000000    9.960715   -0.026821
    -0.000000    0.000000   13.943178
   Si   O    H 
    32    64    10
Direct configuration=  2150
   0.16637531  0.16242221 -0.01719926
   0.35443702  0.07653936  0.36381715
   0.14404348  0.41676301  0.10134636
   0.38666942  0.33766734  0.24623622
   0.08099751  0.15447043  0.47540572
   0.39395491  0.11857185  0.85310904
   0.11709187  0.40938286  0.61627802
   0.36785916  0.37054829  0.74252167
   0.15700192  0.67139031 -0.01366189
   0.41655781  0.58172729  0.35671915
   0.08641125  0.88310243  0.13200741
   0.33446301  0.82467462  0.23885442
   0.18443193  0.63834759  0.48580280
   0.39821850  0.61103778  0.85986447
   0.08457805  0.88814423  0.60387111
   0.35987908  0.96579539  0.68471778
   0.62616331  0.14137249  1.00245310
   0.83539414  0.12340956  0.34292446
   0.62004015  0.39502279  0.10882357
   0.88850219  0.27901311  0.15330025
   0.60931293  0.17082062  0.48223949
   0.89941311  0.10701567  0.88651605
   0.60575610  0.42997935  0.61164771
   0.77665846  0.35004187  0.80021488
   0.64782758  0.64280481 -0.00234836
   0.92263770  0.59586488  0.37204133
   0.57371335  0.89079051  0.12250688
   0.83444741  0.84629070  0.25116088
   0.66687110  0.64010227  0.46257914
   0.88825868  0.62667452  0.87712243
   0.64078676  0.92720557  0.62697212
   0.85102198  0.87416843  0.75158620
   0.11536903  0.03831683  0.14530270
   0.35448854  0.18149705  0.27465356
   0.14009136  0.32398835  0.00212190
   0.36132322  0.43316399  0.33907389
   0.54135750  0.35838759  0.20847635
   0.29074410  0.39444279  0.15428798
   0.22312617  0.12505482  0.42769222
  -0.03807366  0.18091769  0.39447476
   0.04845768  0.02768377  0.54621699
   0.45141412  0.22879477  0.77679558
   0.08363737  0.29858220  0.53558233
   0.34267561  0.46346756  0.83870860
   0.46382508  0.46043338  0.67972658
   0.23201633  0.33228812  0.67994959
   0.25186205  0.17026429 -0.11531157
   0.02851881  0.08974255  0.96120221
   0.12271029  0.56291036  0.06819734
   0.40406009  0.67578480  0.26164550
   0.11999175  0.83731835  0.02569167
   0.33026879  0.92372205  0.32861885
   0.41480060  0.89830369  0.15394922
   0.18159130  0.78717102  0.21322983
   0.33527625  0.63972230  0.44304219
   0.08703510  0.58712669  0.39922157
   0.19180547  0.53970717  0.57829543
   0.36654133  0.71667325  0.76927171
   0.12309285  0.78414306  0.51533004
   0.40135530  0.97432616  0.79281927
   0.49259623  0.88409282  0.64002632
   0.20977912  0.89930631  0.67882327
   0.30960051  0.67071637 -0.04904548
   0.04952010  0.65280975  0.89120863
   0.63196192  0.04146398  0.09819219
   0.84445100  0.19136125  0.24135996
   0.58017089  0.28266764  0.03762659
   0.85223079  0.45169842  0.36988323
   0.04394744  0.35355950  0.17446041
   0.76498687  0.40363652  0.14462840
   0.70441295  0.17033517  0.38927195
   0.48061140  0.09936341  0.42593807
   0.64685219  0.07340028  0.57508284
   0.88574638  0.21761239  0.79947299
   0.58078999  0.31448740  0.53061906
   0.86833536  0.47010957  0.84770683
   0.98696845  0.44670992  0.67263697
   0.73980021  0.37750853  0.67960753
   0.75484362  0.13336627  0.94063051
   0.49183793  0.09668441  0.94220647
   0.58344815  0.53535546  0.06270100
   0.89973721  0.69110570  0.28134757
   0.60735165  0.79409427  0.03112584
   0.86123326  0.95691698  0.34259409
   0.92511507  0.86716725  0.15849882
   0.67146556  0.85505007  0.22454653
   0.83161847  0.65650952  0.45323637
   0.57744135  0.55114754  0.38354427
   0.64717817  0.57784043  0.57174468
   0.82081640  0.72370657  0.79299419
   0.60572390  0.79798598  0.45133194
   0.91329776  0.96839661  0.83427293
   0.95424645  0.85170950  0.66492736
   0.70687191  0.95525826  0.73306623
   0.82228823  0.63538641  0.98547717
   0.56036048  0.63675858  0.88968504
   0.74059547  0.84197546  0.59266291
   0.53875320  0.80528230  0.39791628
   0.89058636  0.18899909  0.06809453
   0.89993710  0.36526411  0.38945310
   0.32678508  0.09127661  0.62812299
   0.29161150  0.69499517  0.72335813
   0.20360727  1.06542056  0.17413117
   0.28229490  1.09291418  0.03928032
   0.65605941  0.33253145  0.85044141
   0.88356935  0.44588517  0.66817610
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945599    0.546293   -0.204326
    -0.000000    9.960759   -0.028829
    -0.000000    0.000000   13.940495
   Si   O    H 
    32    64    10
Direct configuration=  2151
   0.16624162  0.16211413 -0.01732531
   0.35366924  0.07563805  0.36304350
   0.14391081  0.41602331  0.10161689
   0.38650979  0.33822597  0.24490349
   0.08042394  0.15362389  0.47448430
   0.39416492  0.11849739  0.85277209
   0.11743457  0.40883478  0.61686052
   0.36806005  0.36945174  0.74305516
   0.15693519  0.67148396 -0.01361176
   0.41634647  0.58148778  0.35679237
   0.08694110  0.88432043  0.13202711
   0.33259810  0.82548546  0.23845897
   0.18426209  0.63797447  0.48625856
   0.39699250  0.61107957  0.86063416
   0.08512221  0.88806393  0.60475730
   0.35827942  0.96625790  0.68460637
   0.62610512  0.14153262  1.00335555
   0.83653640  0.12434923  0.34424561
   0.61966759  0.39582807  0.10948076
   0.88854846  0.27998418  0.15297252
   0.60948090  0.17202837  0.48157714
   0.89855744  0.10749124  0.88599418
   0.60640453  0.43097760  0.61225674
   0.77604075  0.35048006  0.80099644
   0.64788999  0.64280721 -0.00211265
   0.92287181  0.59658542  0.37211986
   0.57346052  0.89049718  0.12336372
   0.83557956  0.84621503  0.25107899
   0.66798398  0.64013712  0.46168645
   0.88863964  0.62625837  0.87676963
   0.64045464  0.92814779  0.62745178
   0.85197720  0.87491226  0.75086250
   0.11789080  0.03744155  0.14693324
   0.35285413  0.18172207  0.27471095
   0.14054794  0.32522523  0.00301486
   0.36307766  0.43213301  0.33885038
   0.54098997  0.35764578  0.20797548
   0.28761715  0.39338661  0.15400255
   0.22328789  0.12489739  0.42781427
  -0.03883066  0.17977521  0.39449805
   0.04753826  0.02722779  0.54841843
   0.45142367  0.22737515  0.77798438
   0.08496033  0.29970582  0.53585013
   0.34245626  0.46414446  0.83707817
   0.46397450  0.45980644  0.68016948
   0.23074951  0.33386500  0.68047883
   0.25106504  0.17133693 -0.11499620
   0.02779003  0.09055929  0.96129823
   0.12505692  0.56412835  0.06748477
   0.40328591  0.67415769  0.26040161
   0.12107172  0.83896924  0.02505007
   0.33036354  0.92278730  0.32829915
   0.41739807  0.90027554  0.15356767
   0.18086764  0.78864612  0.21242106
   0.33481594  0.64147524  0.44200204
   0.08561592  0.58881155  0.39982326
   0.19069908  0.53933723  0.57713099
   0.36671015  0.71766796  0.76752339
   0.12242948  0.78366930  0.51741788
   0.40202486  0.97382311  0.79463939
   0.49068281  0.88531184  0.64003659
   0.20888609  0.89703431  0.67926184
   0.30986397  0.67042245 -0.04956236
   0.05239803  0.65386759  0.89168487
   0.63004776  0.04219377  0.09717480
   0.84298564  0.19273482  0.24166207
   0.57962652  0.28266696  0.03754545
   0.85186283  0.45191522  0.36977120
   0.04468472  0.35313514  0.17468178
   0.76536781  0.40204631  0.14562403
   0.70193278  0.16952121  0.39100977
   0.48124824  0.09884035  0.42644669
   0.64754832  0.07192353  0.57404881
   0.88533428  0.21811816  0.79831604
   0.58040934  0.31377740  0.53060958
   0.86868323  0.46937392  0.84739368
   0.98826207  0.44555126  0.67364734
   0.73897601  0.37808615  0.67961225
   0.75372143  0.13432596  0.94058418
   0.49038890  0.09634180  0.94271973
   0.58197179  0.53712301  0.06316419
   0.89755302  0.69154743  0.28108979
   0.60578583  0.79560678  0.03052704
   0.86165884  0.95724494  0.34204019
   0.92574686  0.86689638  0.15836092
   0.67358241  0.85524433  0.22272431
   0.83153037  0.65575428  0.45265310
   0.57539855  0.55199627  0.38409932
   0.64674497  0.57710156  0.57227714
   0.82113095  0.72352375  0.79190428
   0.60641983  0.79686935  0.44944394
   0.91243088  0.96698898  0.83551477
   0.95668737  0.85032530  0.66569112
   0.70704139  0.95479444  0.73328500
   0.82206058  0.63547507  0.98682443
   0.56055777  0.63550420  0.88939419
   0.74258607  0.84199731  0.58786124
   0.53908433  0.80393880  0.40297892
   0.89239075  0.19094587  0.06981982
   0.90260487  0.36399095  0.38708695
   0.32108483  0.09721614  0.62637325
   0.28819657  0.69222025  0.71582897
   0.19742346  1.06396099  0.17129280
   0.27678864  1.09649282  0.04034198
   0.64960918  0.33301538  0.85146777
   0.88607291  0.44966197  0.67257207
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944230    0.546367   -0.205869
    -0.000000    9.960785   -0.029990
    -0.000000    0.000000   13.938043
   Si   O    H 
    32    64    10
Direct configuration=  2152
   0.16678834  0.16252448 -0.01714476
   0.35293680  0.07536812  0.36286577
   0.14430745  0.41467168  0.10195147
   0.38652254  0.33870191  0.24336579
   0.07963057  0.15281730  0.47442172
   0.39483719  0.11882077  0.85185908
   0.11760151  0.40810460  0.61762837
   0.36893204  0.36921462  0.74352453
   0.15651780  0.67207252 -0.01330088
   0.41625811  0.58094392  0.35690924
   0.08599551  0.88490625  0.13192503
   0.33121866  0.82582470  0.23811763
   0.18417624  0.63757924  0.48658088
   0.39605797  0.61138821  0.86109127
   0.08553719  0.88763200  0.60560253
   0.35686880  0.96682409  0.68461006
   0.62615048  0.14111468  1.00432156
   0.83795678  0.12489516  0.34497554
   0.61842943  0.39623184  0.11059479
   0.88842352  0.28114399  0.15264979
   0.60983862  0.17310386  0.48116863
   0.89777210  0.10772048  0.88568942
   0.60683680  0.43142920  0.61281872
   0.77549695  0.35061392  0.80141786
   0.64801241  0.64360083 -0.00272660
   0.92342781  0.59737139  0.37204106
   0.57348818  0.89073631  0.12386126
   0.83617175  0.84609539  0.25113114
   0.66875625  0.64030703  0.46067854
   0.88879811  0.62554916  0.87591199
   0.64039369  0.92917942  0.62785680
   0.85291787  0.87558490  0.75020231
   0.11900960  0.03641693  0.14847385
   0.35102569  0.18147410  0.27449687
   0.14031523  0.32545052  0.00403462
   0.36516178  0.43148488  0.33857113
   0.53948659  0.35731364  0.20776354
   0.28538580  0.39238470  0.15401392
   0.22363852  0.12515837  0.42829683
  -0.03915730  0.17980950  0.39474399
   0.04591921  0.02721720  0.55070098
   0.45079627  0.22603458  0.77899441
   0.08636099  0.30058377  0.53625945
   0.34157245  0.46473417  0.83576924
   0.46490343  0.45961636  0.68032986
   0.22972360  0.33579020  0.68125507
   0.25047998  0.17265087 -0.11438090
   0.02685888  0.09174973  0.96080988
   0.12655911  0.56563706  0.06675958
   0.40189234  0.67347411  0.25948417
   0.12158350  0.84045163  0.02424736
   0.33023634  0.92247023  0.32790240
   0.41910771  0.90226788  0.15269321
   0.17976360  0.79014265  0.21136713
   0.33404291  0.64368413  0.44081690
   0.08358757  0.58997043  0.40052172
   0.18964277  0.53842144  0.57666126
   0.36569303  0.71810020  0.76600383
   0.12248093  0.78375021  0.51970099
   0.40241879  0.97308638  0.79681723
   0.48829510  0.88640610  0.64030814
   0.20808516  0.89555839  0.67987760
   0.31017501  0.66961078 -0.05065253
   0.05470601  0.65460118  0.89230731
   0.62897742  0.04259041  0.09587807
   0.84199614  0.19443246  0.24226288
   0.57891875  0.28305343  0.03702409
   0.85146434  0.45168342  0.36917726
   0.04402172  0.35275740  0.17451823
   0.76714000  0.39993608  0.14659896
   0.69913529  0.16896607  0.39267652
   0.48283648  0.09886468  0.42742184
   0.64795902  0.07087373  0.57330940
   0.88572963  0.21813653  0.79751844
   0.58044710  0.31335771  0.53068484
   0.86926442  0.46890302  0.84701771
   0.98962090  0.44415051  0.67476086
   0.73834821  0.37913482  0.68020711
   0.75289877  0.13566414  0.94033589
   0.48956603  0.09606360  0.94329650
   0.58067507  0.53911628  0.06355643
   0.89479459  0.69325086  0.28033405
   0.60396700  0.79737309  0.03008867
   0.86101148  0.95730387  0.34120167
   0.92620082  0.86693743  0.15765930
   0.67539629  0.85497377  0.22150688
   0.83081525  0.65550730  0.45213496
   0.57414591  0.55304296  0.38464464
   0.64688406  0.57547504  0.57222544
   0.82200728  0.72312504  0.79072158
   0.60718187  0.79633230  0.44812607
   0.91188319  0.96541023  0.83614919
   0.95850515  0.84839838  0.66661185
   0.70656206  0.95397462  0.73308804
   0.82071305  0.63607010  0.98849172
   0.56047362  0.63375083  0.88883238
   0.74704260  0.83624203  0.58278323
   0.52810473  0.80391722  0.40095043
   0.89621859  0.19286765  0.07184928
   0.90619572  0.36518990  0.38527470
   0.31913981  0.09863523  0.62764190
   0.29517187  0.69013382  0.71819375
   0.20460225  1.06935824  0.17154104
   0.26941834  1.10043614  0.04095194
   0.64764214  0.33156640  0.85212834
   0.89387643  0.44964772  0.67689362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943493    0.546419   -0.207214
    -0.000000    9.960964   -0.031545
    -0.000000    0.000000   13.935774
   Si   O    H 
    32    64    10
Direct configuration=  2153
   0.16737708  0.16392437 -0.01722170
   0.35239517  0.07537768  0.36286844
   0.14443250  0.41314480  0.10278650
   0.38618467  0.33955686  0.24192438
   0.07943813  0.15206665  0.47445083
   0.39602085  0.11912653  0.85107473
   0.11780329  0.40764333  0.61859000
   0.36978084  0.36885349  0.74368522
   0.15608999  0.67340038 -0.01347185
   0.41627333  0.58074835  0.35742714
   0.08554745  0.88481388  0.13217332
   0.33088374  0.82535019  0.23762623
   0.18454153  0.63692961  0.48639742
   0.39553563  0.61163413  0.86171969
   0.08628167  0.88724690  0.60624251
   0.35560358  0.96787901  0.68414282
   0.62593682  0.13965383  1.00551491
   0.83934768  0.12476248  0.34561675
   0.61699804  0.39675212  0.11147945
   0.88914512  0.28238253  0.15253925
   0.60909443  0.17379909  0.48112389
   0.89730556  0.10803520  0.88550467
   0.60718297  0.43199947  0.61288302
   0.77498948  0.35005250  0.80168232
   0.64875964  0.64476048 -0.00354648
   0.92386292  0.59748452  0.37168285
   0.57385834  0.89053483  0.12417705
   0.83665169  0.84599876  0.25068471
   0.66946943  0.64102018  0.45943760
   0.88905844  0.62496229  0.87513846
   0.64080195  0.93008460  0.62779120
   0.85371513  0.87591685  0.75003667
   0.12032552  0.03548751  0.15067264
   0.34935842  0.18163226  0.27372393
   0.13899922  0.32590577  0.00539039
   0.36728460  0.43104648  0.33856113
   0.53781149  0.35692180  0.20722533
   0.28391520  0.39127718  0.15436401
   0.22408905  0.12526355  0.42877657
  -0.03905350  0.18049503  0.39558022
   0.04412091  0.02700454  0.55250418
   0.45019647  0.22526807  0.77899022
   0.08732944  0.30037970  0.53634381
   0.34026707  0.46525441  0.83470063
   0.46638553  0.45958632  0.68029142
   0.22994371  0.33653781  0.68228177
   0.24961697  0.17316454 -0.11357832
   0.02563639  0.09283939  0.96002326
   0.12740001  0.56604080  0.06632115
   0.40041040  0.67348873  0.25932021
   0.12243777  0.84161798  0.02352236
   0.33040614  0.92228865  0.32729597
   0.42100104  0.90361529  0.15179566
   0.17874642  0.79138669  0.20968409
   0.33350746  0.64607331  0.44054496
   0.08140193  0.59166655  0.40121916
   0.18814910  0.53802620  0.57618508
   0.36404738  0.71777572  0.76455973
   0.12294361  0.78384076  0.52169192
   0.40309278  0.97291148  0.79888741
   0.48607671  0.88690239  0.64020220
   0.20826442  0.89470193  0.68076996
   0.31075294  0.66908791 -0.05150101
   0.05629855  0.65529726  0.89282500
   0.62798200  0.04354403  0.09492805
   0.84071458  0.19611569  0.24281321
   0.57801758  0.28391970  0.03650115
   0.85168143  0.45077139  0.36855739
   0.04230427  0.35228267  0.17440063
   0.76955744  0.39761372  0.14741278
   0.69779481  0.16863891  0.39448249
   0.48404124  0.09936690  0.42862807
   0.64884557  0.07008927  0.57234544
   0.88632330  0.21850192  0.79656894
   0.58132625  0.31353144  0.52980425
   0.86962412  0.46855137  0.84694028
   0.99037576  0.44305490  0.67601564
   0.73756015  0.38045363  0.68127502
   0.75312476  0.13774949  0.93972142
   0.48936635  0.09617890  0.94393658
   0.57898226  0.54121741  0.06409324
   0.89251371  0.69446705  0.27988338
   0.60203204  0.79835943  0.03026551
   0.86057667  0.95829564  0.34046444
   0.92646859  0.86788476  0.15663929
   0.67649440  0.85522397  0.22045690
   0.82919732  0.65602221  0.45193085
   0.57422334  0.55505318  0.38517816
   0.64738853  0.57472074  0.57254848
   0.82292459  0.72248852  0.78979920
   0.60699340  0.79656331  0.44717740
   0.91203766  0.96367589  0.83679496
   0.95976357  0.84679963  0.66735740
   0.70558936  0.95267383  0.73278673
   0.81969587  0.63731445  0.98950198
   0.56012281  0.63115561  0.88845835
   0.74704911  0.83293582  0.57988755
   0.52006790  0.80860146  0.40066661
   0.89956602  0.19476804  0.07202248
   0.90710774  0.37261946  0.38355916
   0.32099530  0.09512751  0.63008076
   0.30435477  0.69171617  0.72446074
   0.20882833  1.07288483  0.17531659
   0.26346089  1.10494929  0.04435149
   0.64943368  0.33410241  0.85159180
   0.89803965  0.45016981  0.67942590
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942777    0.545938   -0.208412
    -0.000000    9.960873   -0.033440
    -0.000000    0.000000   13.933599
   Si   O    H 
    32    64    10
Direct configuration=  2154
   0.16793208  0.16549759 -0.01751393
   0.35238005  0.07541085  0.36259474
   0.14439866  0.41141956  0.10383247
   0.38596262  0.34060423  0.24051463
   0.08003398  0.15203139  0.47479544
   0.39735804  0.11919194  0.85032821
   0.11833420  0.40731560  0.61924626
   0.37023542  0.36871057  0.74370317
   0.15585091  0.67490026 -0.01364469
   0.41639256  0.58055940  0.35744826
   0.08502441  0.88400618  0.13210198
   0.33066014  0.82431248  0.23690182
   0.18452009  0.63640451  0.48638157
   0.39544648  0.61208967  0.86217319
   0.08681259  0.88654775  0.60668530
   0.35412586  0.96877871  0.68356525
   0.62594005  0.13655604  1.00599744
   0.84041604  0.12475443  0.34595120
   0.61558531  0.39724887  0.11242053
   0.89021195  0.28307874  0.15274765
   0.60837833  0.17319045  0.48155910
   0.89693684  0.10856053  0.88496656
   0.60728108  0.43286219  0.61335682
   0.77518077  0.34906243  0.80189886
   0.64910372  0.64556162 -0.00431616
   0.92391590  0.59745629  0.37103684
   0.57475258  0.89029594  0.12475432
   0.83712833  0.84633455  0.24994214
   0.66979281  0.64147974  0.45903517
   0.88914856  0.62463916  0.87463901
   0.64136309  0.93041248  0.62744712
   0.85476049  0.87632433  0.75004269
   0.12221925  0.03561310  0.15307897
   0.34798050  0.18263732  0.27319543
   0.13749230  0.32680243  0.00644871
   0.36908456  0.43022015  0.33900255
   0.53613462  0.35557919  0.20699610
   0.28441605  0.39077802  0.15474691
   0.22529495  0.12487730  0.42863121
  -0.03909649  0.18104282  0.39667890
   0.04202670  0.02758437  0.55346792
   0.45005117  0.22498982  0.77956915
   0.08863162  0.29996656  0.53623360
   0.33892238  0.46549888  0.83414780
   0.46747195  0.46012475  0.67985171
   0.23098209  0.33675791  0.68415092
   0.24868903  0.17388305 -0.11285672
   0.02482153  0.09388301  0.95944092
   0.12769323  0.56730127  0.06637105
   0.39920066  0.67417912  0.25901242
   0.12320051  0.84172816  0.02274309
   0.33063127  0.92314689  0.32679428
   0.42387244  0.90444935  0.15116617
   0.17772712  0.79253800  0.20778685
   0.33305007  0.64806641  0.44115368
   0.07942739  0.59288700  0.40172646
   0.18769207  0.53765391  0.57568177
   0.36385366  0.71730837  0.76444758
   0.12292139  0.78438523  0.52329372
   0.40355617  0.97313194  0.80079688
   0.48447926  0.88689740  0.64019896
   0.20888322  0.89378360  0.68204165
   0.31069124  0.66850881 -0.05180675
   0.05742581  0.65585623  0.89312391
   0.62631492  0.04412282  0.09430900
   0.83946047  0.19747641  0.24329717
   0.57702625  0.28488422  0.03627689
   0.85244807  0.44978690  0.36762901
   0.03928877  0.35124245  0.17464140
   0.77209714  0.39652791  0.14872805
   0.69810915  0.16799592  0.39577986
   0.48474440  0.10040983  0.42915797
   0.64967076  0.06995689  0.57104975
   0.88618895  0.21884298  0.79586555
   0.58174296  0.31476792  0.52912859
   0.86960002  0.46818765  0.84696583
   0.99236664  0.44160383  0.67787557
   0.73588224  0.38100978  0.68269363
   0.75325556  0.13903476  0.93869572
   0.48952825  0.09589691  0.94471702
   0.57736454  0.54260767  0.06456049
   0.89004319  0.69616573  0.27994794
   0.60013840  0.79910795  0.03071259
   0.86015459  0.95907716  0.33959027
   0.92631106  0.86858211  0.15504577
   0.67741288  0.85467720  0.21929868
   0.82728395  0.65585809  0.45280778
   0.57449786  0.55704875  0.38589840
   0.64801572  0.57387754  0.57234419
   0.82316958  0.72185255  0.78912269
   0.60625146  0.79776647  0.44556595
   0.91201485  0.96148845  0.83727616
   0.96087042  0.84525655  0.66826906
   0.70487128  0.95134940  0.73283628
   0.81852093  0.63771298  0.99057412
   0.56015311  0.62899990  0.88849445
   0.74426961  0.83442751  0.57997149
   0.52215585  0.81179291  0.40620461
   0.90254039  0.19862548  0.07129741
   0.90806793  0.37603629  0.38415807
   0.32707592  0.09197945  0.63210563
   0.28922703  0.68730482  0.71419139
   0.20473784  1.07549504  0.17740113
   0.26170409  1.10663790  0.05045504
   0.65360075  0.33592006  0.84831531
   0.89257835  0.45188943  0.67850569
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942102    0.545117   -0.209735
    -0.000000    9.960574   -0.035008
    -0.000000    0.000000   13.931728
   Si   O    H 
    32    64    10
Direct configuration=  2155
   0.16815089  0.16689584 -0.01792280
   0.35246138  0.07582851  0.36260350
   0.14471225  0.41055384  0.10458438
   0.38537956  0.34198003  0.23893421
   0.08095599  0.15216846  0.47524028
   0.39898165  0.11854282  0.85017286
   0.11880465  0.40753768  0.61940253
   0.37042246  0.36814779  0.74317938
   0.15605557  0.67638370 -0.01380297
   0.41723806  0.58004579  0.35741926
   0.08464945  0.88302981  0.13187118
   0.33049917  0.82335377  0.23621909
   0.18434994  0.63599342  0.48608463
   0.39600073  0.61248417  0.86165139
   0.08656709  0.88682675  0.60684240
   0.35264782  0.96891707  0.68348890
   0.62578549  0.13401250  1.00628420
   0.84091178  0.12456610  0.34561020
   0.61516380  0.39781230  0.11350937
   0.89168197  0.28347379  0.15321576
   0.60709226  0.17220842  0.48244755
   0.89673930  0.10933868  0.88411336
   0.60731587  0.43388056  0.61350789
   0.77630509  0.34792145  0.80188495
   0.64858192  0.64667149 -0.00546951
   0.92292818  0.59774489  0.37064867
   0.57636215  0.88972037  0.12500459
   0.83737029  0.84739361  0.24889748
   0.67023913  0.64215310  0.45919374
   0.88969908  0.62458653  0.87435836
   0.64134634  0.92998221  0.62747224
   0.85621860  0.87605480  0.75036015
   0.12482208  0.03568186  0.15535699
   0.34723222  0.18392585  0.27211842
   0.13560371  0.32786433  0.00666123
   0.37023339  0.42933713  0.33977428
   0.53512407  0.35440686  0.20664007
   0.28592700  0.38991955  0.15485830
   0.22654198  0.12527482  0.42854045
  -0.03810539  0.18181436  0.39827763
   0.04006165  0.02808135  0.55351648
   0.44990939  0.22580601  0.78002610
   0.08953238  0.29918006  0.53528342
   0.33825797  0.46552668  0.83375829
   0.46779898  0.46092924  0.67947120
   0.23276038  0.33596886  0.68640889
   0.24762399  0.17484578 -0.11248544
   0.02363241  0.09613707  0.95946949
   0.12840912  0.56887322  0.06665950
   0.39827463  0.67505963  0.25780206
   0.12387893  0.84124700  0.02147971
   0.33068770  0.92430516  0.32676247
   0.42484317  0.90421911  0.15135222
   0.17634010  0.79362713  0.20632699
   0.33332664  0.64999512  0.44198118
   0.07742180  0.59436140  0.40200590
   0.18694618  0.53756013  0.57513492
   0.36293491  0.71647909  0.76435525
   0.12322420  0.78452318  0.52507887
   0.40361229  0.97425274  0.80231443
   0.48336840  0.88708835  0.64013860
   0.20974694  0.89365379  0.68286462
   0.31040451  0.66793825 -0.05194876
   0.05920083  0.65565169  0.89312130
   0.62543881  0.04353514  0.09424756
   0.83780377  0.19911669  0.24378481
   0.57614248  0.28571028  0.03563503
   0.85283490  0.44962438  0.36709863
   0.03665625  0.34999904  0.17526171
   0.77351896  0.39592643  0.14963928
   0.69933389  0.16747316  0.39667815
   0.48588849  0.10036433  0.42981457
   0.65046316  0.07029907  0.56915105
   0.88562107  0.21867169  0.79555903
   0.58118349  0.31615060  0.52811298
   0.87065125  0.46758523  0.84680961
   0.99427487  0.44014608  0.67991561
   0.73457835  0.38198267  0.68453469
   0.75419564  0.14033926  0.93759795
   0.48949623  0.09547446  0.94526341
   0.57617301  0.54380671  0.06529847
   0.88884518  0.69789320  0.27994985
   0.59850167  0.79895040  0.03049224
   0.85950282  0.95975353  0.33807424
   0.92582769  0.86871795  0.15368570
   0.67782031  0.85436565  0.21888552
   0.82519024  0.65627107  0.45411134
   0.57506435  0.55839791  0.38629997
   0.64891208  0.57327652  0.57171183
   0.82277374  0.72167319  0.78884781
   0.60609169  0.79827557  0.44359403
   0.91189803  0.96054710  0.83844175
   0.96281158  0.84361853  0.66864501
   0.70425775  0.95023210  0.73328277
   0.81704565  0.63791212  0.99079045
   0.56012120  0.62718008  0.88839992
   0.73965894  0.83434520  0.58113409
   0.52633597  0.81153623  0.41112182
   0.90655364  0.19834443  0.06582819
   0.91725961  0.37057915  0.38624899
   0.32909114  0.09300204  0.63593222
   0.28085981  0.68506096  0.71026246
   0.20011047  1.07515484  0.17860328
   0.26143449  1.10612817  0.05840718
   0.65301842  0.33829751  0.84611604
   0.89049889  0.45102532  0.67609112
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941617    0.544062   -0.210387
    -0.000000    9.960113   -0.036893
    -0.000000    0.000000   13.929667
   Si   O    H 
    32    64    10
Direct configuration=  2156
   0.16854801  0.16837384 -0.01841984
   0.35243008  0.07610945  0.36260446
   0.14474531  0.40945091  0.10549499
   0.38452286  0.34302280  0.23781241
   0.08261267  0.15175430  0.47627551
   0.40120711  0.11788226  0.85043279
   0.11949436  0.40753251  0.61926391
   0.37083048  0.36794907  0.74235016
   0.15677775  0.67821946 -0.01421991
   0.41779641  0.57941439  0.35690560
   0.08442308  0.88251495  0.13154672
   0.33044531  0.82265541  0.23545594
   0.18406307  0.63591413  0.48573561
   0.39648516  0.61346316  0.86133417
   0.08621139  0.88697663  0.60699915
   0.35191982  0.96887073  0.68391465
   0.62578166  0.13175771  1.00647875
   0.84093765  0.12401983  0.34540617
   0.61459907  0.39762998  0.11459963
   0.89283009  0.28409411  0.15383407
   0.60605958  0.17009667  0.48325494
   0.89696794  0.10978948  0.88319989
   0.60701418  0.43463529  0.61355482
   0.77756514  0.34707712  0.80193939
   0.64807228  0.64731430 -0.00676344
   0.92163662  0.59806470  0.37070710
   0.57874430  0.88929898  0.12492705
   0.83724163  0.84802294  0.24825415
   0.67046769  0.64326381  0.45947547
   0.89005786  0.62551132  0.87430543
   0.64089488  0.92951274  0.62728672
   0.85765591  0.87544765  0.75084104
   0.12630405  0.03521834  0.15712375
   0.34709441  0.18572565  0.27024009
   0.13365383  0.32857254  0.00663169
   0.37145016  0.42769530  0.33981782
   0.53440730  0.35380069  0.20664545
   0.28770537  0.38831833  0.15477402
   0.22831805  0.12528765  0.42912433
  -0.03716490  0.18313216  0.40007287
   0.03815544  0.02935779  0.55373038
   0.44952745  0.22747547  0.78008303
   0.08980136  0.29868767  0.53443576
   0.33716816  0.46450196  0.83366528
   0.46905911  0.46100213  0.67890019
   0.23521904  0.33575836  0.68813243
   0.24752079  0.17578272 -0.11260846
   0.02236061  0.09760613  0.95949857
   0.12934585  0.57085818  0.06722094
   0.39831933  0.67588088  0.25673515
   0.12387099  0.84041943  0.01972943
   0.33098433  0.92497659  0.32693786
   0.42461005  0.90337701  0.15155979
   0.17497573  0.79432739  0.20483506
   0.33322302  0.65151330  0.44325542
   0.07665406  0.59570646  0.40241898
   0.18609941  0.53759635  0.57443668
   0.36149211  0.71433395  0.76423708
   0.12342745  0.78438865  0.52650461
   0.40342055  0.97534612  0.80341283
   0.48276374  0.88666716  0.64032990
   0.21047012  0.89479271  0.68345267
   0.30917036  0.66716091 -0.05182546
   0.06046112  0.65513891  0.89323535
   0.62439621  0.04181963  0.09447237
   0.83645641  0.20060181  0.24439164
   0.57532656  0.28694075  0.03523758
   0.85407335  0.44855708  0.36692254
   0.03503259  0.34843191  0.17618516
   0.77417261  0.39503321  0.15014012
   0.70099804  0.16728769  0.39737273
   0.48527525  0.10015435  0.43017813
   0.65128364  0.07055530  0.56761612
   0.88476659  0.21843175  0.79570218
   0.58071328  0.31850230  0.52723455
   0.87120114  0.46755130  0.84658738
   0.99492248  0.43896077  0.68153986
   0.73331984  0.38366065  0.68626490
   0.75508691  0.14131141  0.93679991
   0.48993010  0.09561594  0.94563281
   0.57525437  0.54472996  0.06608656
   0.88867241  0.69897201  0.27987085
   0.59690294  0.79873860  0.02958456
   0.85938527  0.95995153  0.33608693
   0.92570932  0.86797133  0.15221528
   0.67854127  0.85454016  0.21845980
   0.82230245  0.65618493  0.45559847
   0.57554787  0.55943312  0.38675631
   0.64976546  0.57261804  0.57085751
   0.82286719  0.72205209  0.78881298
   0.60704927  0.79859476  0.44182225
   0.91128949  0.95910925  0.83954291
   0.96375889  0.84235647  0.66922140
   0.70466207  0.94932979  0.73370044
   0.81458738  0.63861269  0.99066317
   0.56050173  0.62529462  0.88878640
   0.73332085  0.83249179  0.58320977
   0.51394259  0.81747909  0.41152693
   0.90824672  0.19613121  0.06172545
   0.92425845  0.36974773  0.38628901
   0.32950220  0.10199617  0.63731381
   0.28188737  0.68607447  0.71513751
   0.20650005  1.07922663  0.18331600
   0.26260793  1.10570319  0.06288367
   0.64672967  0.34041842  0.84677240
   0.89482309  0.44888540  0.67263046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940964    0.542269   -0.210368
    -0.000000    9.959608   -0.038775
    -0.000000    0.000000   13.927383
   Si   O    H 
    32    64    10
Direct configuration=  2157
   0.16883786  0.16987800 -0.01879672
   0.35235463  0.07735411  0.36275754
   0.14417350  0.40840925  0.10605632
   0.38352917  0.34351038  0.23716689
   0.08404598  0.15135099  0.47730532
   0.40214854  0.11692003  0.85112354
   0.11942842  0.40721870  0.61855178
   0.37162944  0.36764237  0.74101277
   0.15716518  0.68114172 -0.01496017
   0.41776260  0.57947937  0.35635184
   0.08424492  0.88175516  0.13087175
   0.33052081  0.82220701  0.23452918
   0.18458227  0.63626735  0.48527729
   0.39722803  0.61418433  0.86106488
   0.08593172  0.88794106  0.60715749
   0.35158342  0.96916772  0.68455840
   0.62547200  0.12998714  1.00653485
   0.84017514  0.12310354  0.34498706
   0.61451643  0.39743368  0.11564274
   0.89396472  0.28455758  0.15432769
   0.60532554  0.16825284  0.48448518
   0.89687453  0.11025578  0.88187461
   0.60659145  0.43463749  0.61328184
   0.77871144  0.34682368  0.80190871
   0.64711926  0.64763153 -0.00835041
   0.92070788  0.59793338  0.37045056
   0.58077658  0.88892814  0.12474895
   0.83661510  0.84901377  0.24811959
   0.66985284  0.64466196  0.45993328
   0.89076640  0.62647318  0.87432347
   0.64038496  0.92960937  0.62676387
   0.85891185  0.87507231  0.75145341
   0.12774868  0.03532789  0.15890034
   0.34658416  0.18778974  0.26884835
   0.13181396  0.32908673  0.00747069
   0.37289895  0.42621890  0.33942988
   0.53327496  0.35321586  0.20652196
   0.28926594  0.38671795  0.15429501
   0.22968320  0.12479208  0.42963089
  -0.03566970  0.18390689  0.40190978
   0.03738875  0.03175303  0.55397133
   0.44924167  0.22941913  0.77975682
   0.09001267  0.29794555  0.53335282
   0.33626464  0.46403698  0.83323536
   0.47082383  0.46096418  0.67787793
   0.23743302  0.33645061  0.68976900
   0.24771063  0.17611990 -0.11317795
   0.02088352  0.09913424  0.95915757
   0.13027946  0.57203905  0.06838309
   0.39779260  0.67555494  0.25610831
   0.12388077  0.83908223  0.01811875
   0.33134362  0.92576124  0.32681603
   0.42398160  0.90204211  0.15192862
   0.17382380  0.79434111  0.20433801
   0.33261503  0.65293215  0.44433217
   0.07615070  0.59649919  0.40279264
   0.18627119  0.53637249  0.57398048
   0.36024767  0.71217317  0.76301924
   0.12368925  0.78387032  0.52735932
   0.40276369  0.97629771  0.80362902
   0.48151759  0.88716422  0.64049615
   0.21136855  0.89677202  0.68359694
   0.30751299  0.66607004 -0.05122996
   0.06111166  0.65425299  0.89310704
   0.62381465  0.04015657  0.09508029
   0.83538169  0.20262259  0.24458781
   0.57460423  0.28782080  0.03481021
   0.85616668  0.44726413  0.36643899
   0.03396295  0.34725390  0.17700274
   0.77434795  0.39510538  0.15041665
   0.70350849  0.16685116  0.39836901
   0.48448273  0.09978950  0.43069562
   0.65114521  0.07081151  0.56619267
   0.88443038  0.21745261  0.79605258
   0.58011740  0.32100687  0.52710412
   0.87153437  0.46666141  0.84651118
   0.99505541  0.43807377  0.68319733
   0.73255830  0.38558095  0.68773506
   0.75613452  0.14315346  0.93638536
   0.49152879  0.09638620  0.94607318
   0.57500817  0.54559908  0.06712297
   0.88797083  0.69999637  0.27994150
   0.59541524  0.79822865  0.02874881
   0.85918208  0.96003215  0.33450600
   0.92579338  0.86779168  0.15137103
   0.67993106  0.85402441  0.21763895
   0.82090960  0.65693192  0.45724384
   0.57557514  0.56044861  0.38692525
   0.65055971  0.57285791  0.56949791
   0.82298828  0.72224711  0.78882875
   0.60804083  0.79867563  0.44005078
   0.91083218  0.95751695  0.84065523
   0.96473368  0.84045664  0.66968742
   0.70496196  0.94841251  0.73518063
   0.81303896  0.63962522  0.99081239
   0.56047269  0.62427771  0.88893386
   0.72681910  0.82825051  0.58365378
   0.50477110  0.82071594  0.41407346
   0.90820299  0.19642620  0.06345952
   0.92534940  0.37504423  0.38363085
   0.33066315  0.11068148  0.63757120
   0.29271393  0.69227452  0.72701702
   0.21210761  1.08132890  0.18768561
   0.25839370  1.10764470  0.06128394
   0.64215450  0.34239554  0.84933347
   0.90235660  0.44556388  0.66838499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940184    0.540381   -0.210589
    -0.000000    9.959377   -0.040367
    -0.000000    0.000000   13.925277
   Si   O    H 
    32    64    10
Direct configuration=  2158
   0.16834350  0.17155176 -0.01923593
   0.35307600  0.07845991  0.36237279
   0.14348334  0.40808260  0.10684452
   0.38288689  0.34319300  0.23688218
   0.08607489  0.15127449  0.47858603
   0.40319852  0.11665281  0.85205462
   0.11967794  0.40617891  0.61795287
   0.37198419  0.36840104  0.73982051
   0.15754105  0.68354554 -0.01584096
   0.41771199  0.58052136  0.35565139
   0.08393828  0.88131087  0.12998185
   0.33028603  0.82260594  0.23306665
   0.18561809  0.63670956  0.48475738
   0.39776745  0.61429955  0.86047737
   0.08556492  0.88880833  0.60747980
   0.35142983  0.96946989  0.68544239
   0.62527615  0.12879851  1.00642164
   0.83965505  0.12188860  0.34461334
   0.61360966  0.39688867  0.11670289
   0.89512029  0.28480102  0.15518796
   0.60396899  0.16672335  0.48548121
   0.89676563  0.11072023  0.88072115
   0.60553693  0.43508810  0.61330506
   0.77945312  0.34692927  0.80205415
   0.64568280  0.64804913 -0.01005305
   0.91988169  0.59809422  0.37034435
   0.58282442  0.88855652  0.12428563
   0.83650848  0.84969588  0.24811707
   0.66826668  0.64581723  0.46016656
   0.89127304  0.62735237  0.87456599
   0.63970903  0.93002161  0.62613503
   0.85969094  0.87533142  0.75197152
   0.12917342  0.03557672  0.16079926
   0.34607478  0.18933576  0.26778540
   0.13045760  0.32935821  0.00789810
   0.37384588  0.42528608  0.33904377
   0.53191383  0.35385218  0.20620343
   0.29045300  0.38401714  0.15365266
   0.23061762  0.12415492  0.43017304
  -0.03382609  0.18391043  0.40408270
   0.03663946  0.03392013  0.55353708
   0.44877190  0.23158047  0.77935536
   0.09029356  0.29719535  0.53288022
   0.33622694  0.46452383  0.83241987
   0.47272957  0.46126368  0.67680972
   0.23869768  0.33691516  0.69112690
   0.24921491  0.17527003 -0.11436809
   0.01935862  0.10021144  0.95901012
   0.13089844  0.57348446  0.06975793
   0.39728867  0.67526416  0.25562169
   0.12381243  0.83766518  0.01721845
   0.33204186  0.92571097  0.32637915
   0.42275995  0.90106095  0.15268561
   0.17298559  0.79434908  0.20381330
   0.33202220  0.65427482  0.44507570
   0.07623384  0.59684393  0.40363549
   0.18706522  0.53516311  0.57359480
   0.36087078  0.71091858  0.76288231
   0.12295788  0.78268245  0.52782791
   0.40194927  0.97605921  0.80353537
   0.48086205  0.88799900  0.64057005
   0.21227163  0.89953866  0.68346679
   0.30579122  0.66515071 -0.05033085
   0.06100026  0.65357925  0.89285832
   0.62334776  0.03857290  0.09529158
   0.83453195  0.20472621  0.24483826
   0.57417563  0.28829745  0.03384764
   0.85852276  0.44642922  0.36594319
   0.03314559  0.34722401  0.17776554
   0.77522915  0.39547605  0.15017147
   0.70585060  0.16635500  0.39866350
   0.48302499  0.09959237  0.43184644
   0.65080334  0.07100718  0.56523272
   0.88454377  0.21506060  0.79639160
   0.58017064  0.32366555  0.52740217
   0.87125975  0.46584243  0.84688687
   0.99521629  0.43634511  0.68498510
   0.73202791  0.38693812  0.68918431
   0.75701156  0.14523185  0.93613929
   0.49298977  0.09695850  0.94623345
   0.57373404  0.54638538  0.06862353
   0.88872503  0.70086815  0.28020079
   0.59414553  0.79736591  0.02803771
   0.85938844  0.96022090  0.33322080
   0.92562236  0.86806805  0.15018037
   0.68115533  0.85317278  0.21632642
   0.82052176  0.65721690  0.45822000
   0.57719001  0.56062099  0.38665132
   0.65079414  0.57360566  0.56793715
   0.82343760  0.72217399  0.78907760
   0.60785102  0.79910608  0.43798925
   0.91091507  0.95606451  0.84158937
   0.96552647  0.83893715  0.67017380
   0.70508127  0.94726986  0.73610186
   0.81149452  0.64071270  0.99028145
   0.56101370  0.62402178  0.88936985
   0.72096613  0.82188033  0.58376413
   0.51134076  0.81946847  0.41991570
   0.90753167  0.20001386  0.06920841
   0.92437569  0.38124697  0.38035691
   0.33126772  0.11574653  0.64008308
   0.28155491  0.69125815  0.72984668
   0.21023753  1.07980688  0.19075159
   0.25331986  1.11252652  0.05759344
   0.63753208  0.34267525  0.85260743
   0.90137723  0.44316284  0.66375626
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939611    0.538592   -0.211036
    -0.000000    9.958956   -0.042380
    -0.000000    0.000000   13.923083
   Si   O    H 
    32    64    10
Direct configuration=  2159
   0.16790917  0.17376515 -0.01959152
   0.35393055  0.07973779  0.36148350
   0.14229618  0.40771544  0.10693115
   0.38226550  0.34235144  0.23725945
   0.08749244  0.15140379  0.47974181
   0.40394607  0.11656185  0.85337607
   0.11982776  0.40521541  0.61777620
   0.37324834  0.36909312  0.73863590
   0.15745140  0.68581146 -0.01643238
   0.41743851  0.58146262  0.35479320
   0.08363849  0.88161373  0.12938718
   0.32974218  0.82325945  0.23173094
   0.18583152  0.63727720  0.48435988
   0.39816820  0.61453859  0.85988928
   0.08473562  0.88966985  0.60771795
   0.35156631  0.96951054  0.68669472
   0.62486478  0.12763258  1.00591735
   0.83942551  0.12098846  0.34398966
   0.61309213  0.39666187  0.11770137
   0.89618480  0.28504099  0.15603108
   0.60291930  0.16605962  0.48625288
   0.89693900  0.11103537  0.87973479
   0.60549440  0.43513054  0.61324190
   0.78022998  0.34767916  0.80219611
   0.64400851  0.64818789 -0.01171561
   0.91872013  0.59800166  0.37051829
   0.58398655  0.88841495  0.12372371
   0.83660052  0.85034063  0.24843604
   0.66607336  0.64661932  0.46069993
   0.89160789  0.62790753  0.87504346
   0.63850875  0.92984736  0.62555889
   0.86035578  0.87498271  0.75227444
   0.13024973  0.03620754  0.16275819
   0.34522672  0.19045453  0.26679044
   0.12910657  0.32910454  0.00882430
   0.37492429  0.42441210  0.33827025
   0.53140401  0.35467243  0.20671455
   0.29097050  0.38181007  0.15227822
   0.23093801  0.12329690  0.43021223
  -0.03202589  0.18378675  0.40577266
   0.03620125  0.03608183  0.55366379
   0.44860087  0.23354774  0.77881063
   0.09052855  0.29594258  0.53255850
   0.33713345  0.46449451  0.83191853
   0.47380678  0.46121830  0.67607414
   0.23877876  0.33694665  0.69125842
   0.25145678  0.17381243 -0.11527142
   0.01824879  0.10113304  0.95919906
   0.13120229  0.57325275  0.07138171
   0.39727068  0.67494282  0.25637929
   0.12245134  0.83637787  0.01663402
   0.33282178  0.92554978  0.32567328
   0.42106140  0.90017075  0.15399652
   0.17248553  0.79491186  0.20374877
   0.33211386  0.65521160  0.44540152
   0.07669867  0.59699029  0.40454501
   0.18811419  0.53441788  0.57317395
   0.36282091  0.70909136  0.76283155
   0.12199075  0.78080177  0.52790669
   0.40088752  0.97497454  0.80359358
   0.47971571  0.88944893  0.64020421
   0.21153829  0.90178850  0.68385120
   0.30539683  0.66420086 -0.04959310
   0.05962081  0.65261570  0.89217566
   0.62281997  0.03700941  0.09611882
   0.83407406  0.20604965  0.24480040
   0.57396383  0.28853130  0.03303584
   0.86097733  0.44650723  0.36463560
   0.03347633  0.34803995  0.17818734
   0.77562969  0.39614030  0.14993522
   0.70820928  0.16577439  0.39947555
   0.48125764  0.09940459  0.43305671
   0.65127486  0.06979624  0.56490471
   0.88403618  0.21328244  0.79644754
   0.58031525  0.32590902  0.52715542
   0.87076119  0.46580502  0.84730231
   0.99610253  0.43454057  0.68680903
   0.73123765  0.38833428  0.69053315
   0.75793635  0.14669933  0.93589780
   0.49399976  0.09730787  0.94639240
   0.57181211  0.54699970  0.06998008
   0.88919238  0.70121151  0.28048289
   0.59322783  0.79684409  0.02765250
   0.85965051  0.96007350  0.33172697
   0.92565521  0.86810963  0.14919714
   0.68091604  0.85183148  0.21538848
   0.82182319  0.65741419  0.45896741
   0.57674965  0.56068630  0.38618275
   0.65093528  0.57389940  0.56621490
   0.82351660  0.72189556  0.78992755
   0.60750787  0.79875028  0.43585055
   0.91095598  0.95524820  0.84241483
   0.96619716  0.83722214  0.67100135
   0.70503846  0.94579971  0.73663485
   0.80962260  0.64092616  0.98992263
   0.56205554  0.62360123  0.88881277
   0.71618672  0.81669121  0.58276181
   0.52332999  0.81479009  0.42620696
   0.90513913  0.20049072  0.07467869
   0.93649648  0.37536518  0.37894889
   0.33130774  0.11373591  0.64669482
   0.26269345  0.69041306  0.73016380
   0.20128850  1.07698893  0.19027634
   0.25292750  1.11616942  0.05479833
   0.64224849  0.33957995  0.85353913
   0.90017896  0.43769292  0.66126841
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939221    0.537400   -0.212025
    -0.000000    9.958611   -0.045033
    -0.000000    0.000000   13.920906
   Si   O    H 
    32    64    10
Direct configuration=  2160
   0.16710377  0.17565188 -0.02022301
   0.35436335  0.08130876  0.36043532
   0.14123020  0.40745950  0.10699833
   0.38198639  0.34095521  0.23786236
   0.08854606  0.15098218  0.48108162
   0.40386390  0.11677249  0.85457479
   0.12019701  0.40442383  0.61748999
   0.37479983  0.37052477  0.73780785
   0.15687710  0.68761789 -0.01693856
   0.41742018  0.58248186  0.35417835
   0.08325498  0.88173023  0.12863926
   0.32888629  0.82422601  0.23075912
   0.18621408  0.63835578  0.48471218
   0.39834580  0.61469762  0.85911424
   0.08404979  0.89061099  0.60795606
   0.35180314  0.97009038  0.68829897
   0.62456334  0.12655307  1.00537119
   0.84008090  0.12054013  0.34297768
   0.61286125  0.39635596  0.11802268
   0.89687529  0.28505295  0.15736768
   0.60161780  0.16574405  0.48679405
   0.89666489  0.11051071  0.87914075
   0.60558526  0.43471577  0.61311970
   0.78087152  0.34844484  0.80257346
   0.64252907  0.64844695 -0.01301437
   0.91792718  0.59810960  0.37084939
   0.58476536  0.88837556  0.12351140
   0.83664795  0.85079055  0.24837140
   0.66403412  0.64695528  0.46122745
   0.89194377  0.62810728  0.87601441
   0.63721581  0.92972807  0.62530808
   0.86081515  0.87457229  0.75291749
   0.12957975  0.03665992  0.16455126
   0.34524815  0.19036367  0.26644975
   0.12770870  0.32840857  0.00917283
   0.37582703  0.42409070  0.33689545
   0.53182834  0.35521371  0.20769538
   0.28983060  0.38076944  0.15057451
   0.23133112  0.12228606  0.43030752
  -0.03102609  0.18422044  0.40663869
   0.03561849  0.03739418  0.55354145
   0.44778194  0.23482785  0.77806261
   0.09092760  0.29475376  0.53271418
   0.33818909  0.46437777  0.83063126
   0.47450718  0.46117956  0.67535037
   0.23768439  0.33645148  0.69071459
   0.25308358  0.17292731 -0.11629150
   0.01787466  0.10216070  0.95971886
   0.13208343  0.57269591  0.07294890
   0.39739959  0.67486389  0.25670906
   0.12078973  0.83646669  0.01648218
   0.33313952  0.92504860  0.32548029
   0.41962187  0.89862988  0.15528379
   0.17241560  0.79471484  0.20417379
   0.33198311  0.65614662  0.44532462
   0.07694245  0.59724001  0.40425801
   0.18849716  0.53331429  0.57320335
   0.36433671  0.70585419  0.76252830
   0.12096895  0.77884810  0.52827398
   0.39954707  0.97350732  0.80335931
   0.47941341  0.89077799  0.63977381
   0.21091501  0.90371652  0.68396869
   0.30558177  0.66312757 -0.04915348
   0.05836255  0.65274929  0.89190530
   0.62239359  0.03589301  0.09715495
   0.83355351  0.20650125  0.24452634
   0.57457565  0.28834065  0.03259704
   0.86362929  0.44594210  0.36394635
   0.03410604  0.34888897  0.17896985
   0.77516034  0.39678737  0.14997873
   0.70985323  0.16498953  0.40057196
   0.47886847  0.09901809  0.43417450
   0.65228632  0.06841128  0.56543233
   0.88283793  0.21278574  0.79592937
   0.58060576  0.32775751  0.52632320
   0.87041665  0.46550483  0.84775840
   0.99702127  0.43438625  0.68851681
   0.72998107  0.38948221  0.69146641
   0.75878326  0.14739514  0.93609365
   0.49474479  0.09721325  0.94598196
   0.57017512  0.54809431  0.07112154
   0.88870989  0.70123454  0.28084479
   0.59219821  0.79699869  0.02701152
   0.85981914  0.95989937  0.33029121
   0.92581329  0.86825919  0.14799301
   0.68058732  0.85145529  0.21437836
   0.82446276  0.65714645  0.45920578
   0.57644664  0.56101642  0.38626321
   0.65103846  0.57460974  0.56512433
   0.82412429  0.72180009  0.79067595
   0.60823052  0.79822883  0.43418773
   0.91161566  0.95490161  0.84332424
   0.96717968  0.83654632  0.67177278
   0.70474404  0.94389027  0.73640722
   0.80801106  0.64031542  0.98951167
   0.56330545  0.62364066  0.88797610
   0.71316246  0.81646620  0.58361507
   0.49776755  0.81307936  0.42816343
   0.90036202  0.19943973  0.07919841
   0.94239062  0.37161938  0.37860102
   0.32965472  0.10786697  0.65041094
   0.26020993  0.69129426  0.73245632
   0.20463910  1.07852545  0.19349681
   0.25465490  1.11693044  0.05327631
   0.65402911  0.33715748  0.85499432
   0.90263496  0.43157240  0.66258349
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939017    0.536522   -0.212804
    -0.000000    9.958511   -0.047577
    -0.000000    0.000000   13.918253
   Si   O    H 
    32    64    10
Direct configuration=  2161
   0.16651929  0.17708844 -0.02119141
   0.35438554  0.08229710  0.35966160
   0.14062116  0.40721134  0.10666340
   0.38130030  0.33947674  0.23839348
   0.08905407  0.15080307  0.48223546
   0.40421357  0.11761312  0.85583627
   0.12062029  0.40349599  0.61695135
   0.37630361  0.37198415  0.73742754
   0.15669117  0.68874287 -0.01711060
   0.41766944  0.58302451  0.35392270
   0.08315201  0.88221460  0.12813381
   0.32838285  0.82507688  0.23024890
   0.18602809  0.63926191  0.48536295
   0.39885563  0.61401216  0.85853603
   0.08347964  0.89177710  0.60878354
   0.35220863  0.97057111  0.68981699
   0.62424471  0.12658975  1.00467029
   0.84082311  0.12067136  0.34210619
   0.61295788  0.39677577  0.11783906
   0.89674370  0.28580385  0.15912909
   0.60044133  0.16608447  0.48713963
   0.89669248  0.11006095  0.87845378
   0.60505992  0.43444929  0.61268813
   0.78127596  0.34988026  0.80318394
   0.64105222  0.64845202 -0.01361103
   0.91756215  0.59832961  0.37135996
   0.58535948  0.88819791  0.12341511
   0.83678976  0.85071820  0.24804273
   0.66159743  0.64758464  0.46222850
   0.89290510  0.62778637  0.87657884
   0.63605161  0.92952541  0.62520770
   0.86105674  0.87416859  0.75371372
   0.12847728  0.03675457  0.16655061
   0.34532283  0.19038450  0.26582097
   0.12600207  0.32823065  0.00922805
   0.37617854  0.42500780  0.33613199
   0.53310011  0.35653049  0.20894302
   0.28873841  0.37946028  0.14863966
   0.23100244  0.12233967  0.43009235
  -0.03059326  0.18430789  0.40736162
   0.03450516  0.03885076  0.55430985
   0.44713156  0.23566289  0.77766371
   0.09142971  0.29339642  0.53424105
   0.33939534  0.46445487  0.82964616
   0.47539344  0.46101047  0.67453570
   0.23547161  0.33641214  0.68948815
   0.25489368  0.17249663 -0.11723726
   0.01786603  0.10283925  0.95992811
   0.13304898  0.57176311  0.07422982
   0.39685624  0.67500991  0.25759300
   0.11838887  0.83675159  0.01633269
   0.33434586  0.92553808  0.32570089
   0.41798709  0.89697843  0.15667753
   0.17211118  0.79411476  0.20443451
   0.33201112  0.65701729  0.44479313
   0.07771466  0.59730654  0.40353387
   0.18965057  0.53258168  0.57296043
   0.36583114  0.70337565  0.76197933
   0.11939247  0.77740124  0.52866200
   0.39856943  0.97281354  0.80325330
   0.47844276  0.89259718  0.63889179
   0.20999023  0.90525932  0.68372927
   0.30515390  0.66288735 -0.04904370
   0.05661773  0.65378868  0.89153779
   0.62195005  0.03530165  0.09762310
   0.83402819  0.20646070  0.24419650
   0.57504736  0.28796971  0.03215730
   0.86634156  0.44542438  0.36294903
   0.03518682  0.34924871  0.17994228
   0.77496323  0.39691389  0.14991714
   0.71178213  0.16349825  0.40141763
   0.47601723  0.09789854  0.43513122
   0.65364961  0.06580439  0.56597191
   0.88184376  0.21333609  0.79495017
   0.58045221  0.32911187  0.52571493
   0.86959333  0.46560618  0.84810888
   0.99745328  0.43434467  0.69000959
   0.72852238  0.39097312  0.69258347
   0.75839252  0.14748722  0.93704876
   0.49547389  0.09722398  0.94546737
   0.56952581  0.54867773  0.07183802
   0.88893384  0.70197239  0.28198268
   0.59180476  0.79733194  0.02650376
   0.86066939  0.95903094  0.32884341
   0.92540235  0.86844212  0.14693094
   0.68024836  0.85087090  0.21330870
   0.82736051  0.65663629  0.45878279
   0.57650599  0.56092319  0.38586366
   0.65004911  0.57512699  0.56379669
   0.82495653  0.72197181  0.79132958
   0.60738916  0.79813301  0.43186081
   0.91273688  0.95546928  0.84395229
   0.96771153  0.83539399  0.67252727
   0.70399922  0.94179738  0.73609830
   0.80691101  0.63938185  0.98870616
   0.56454582  0.62325405  0.88702433
   0.71102308  0.81267003  0.58001534
   0.49056068  0.80994635  0.42980004
   0.89680055  0.19478039  0.07867756
   0.93886698  0.37790405  0.37555587
   0.32994371  0.09870154  0.65541553
   0.27248794  0.69474328  0.73799718
   0.21015935  1.08035612  0.19706265
   0.26087242  1.11977407  0.05332339
   0.66890064  0.33316148  0.85642132
   0.90616277  0.42703154  0.66396982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939124    0.536020   -0.214071
    -0.000000    9.958652   -0.049698
    -0.000000    0.000000   13.916076
   Si   O    H 
    32    64    10
Direct configuration=  2162
   0.16560793  0.17845824 -0.02182095
   0.35425811  0.08297713  0.35877534
   0.14041664  0.40779521  0.10641958
   0.38087541  0.33826709  0.23882894
   0.08992388  0.15089848  0.48347055
   0.40497988  0.11852298  0.85716910
   0.12119046  0.40193840  0.61687868
   0.37750783  0.37323437  0.73667080
   0.15663195  0.68905242 -0.01765844
   0.41770479  0.58332933  0.35353861
   0.08304802  0.88366386  0.12766914
   0.32917884  0.82540541  0.23002192
   0.18593209  0.63954324  0.48608113
   0.39954119  0.61339540  0.85809349
   0.08296043  0.89306925  0.60922614
   0.35269950  0.97089583  0.69117248
   0.62391693  0.12742384  1.00407226
   0.84180241  0.12101567  0.34178574
   0.61315311  0.39633012  0.11785843
   0.89658171  0.28615686  0.16082362
   0.59985748  0.16664060  0.48752686
   0.89710209  0.10910545  0.87844608
   0.60520158  0.43428000  0.61211756
   0.78209150  0.35181524  0.80357067
   0.63946052  0.64761327 -0.01392320
   0.91710924  0.59870916  0.37175387
   0.58583384  0.88786711  0.12312128
   0.83760069  0.85080346  0.24733758
   0.65928940  0.64793886  0.46310075
   0.89387037  0.62653737  0.87724096
   0.63460722  0.92904512  0.62500864
   0.86164647  0.87345568  0.75428520
   0.12806950  0.03689942  0.16853138
   0.34480838  0.19011653  0.26540369
   0.12468971  0.32846334  0.00886963
   0.37477155  0.42658744  0.33520188
   0.53364929  0.35758581  0.21025181
   0.28762485  0.37800313  0.14676851
   0.22990335  0.12164807  0.43032547
  -0.03098888  0.18443830  0.40790059
   0.03306580  0.03954890  0.55554057
   0.44651616  0.23623836  0.77707813
   0.09180486  0.29206064  0.53561766
   0.34126328  0.46417319  0.82923264
   0.47653662  0.46090422  0.67314998
   0.23327954  0.33595828  0.68802844
   0.25683454  0.17199790 -0.11867766
   0.01837345  0.10377878  0.96030348
   0.13381660  0.57049246  0.07559702
   0.39638110  0.67433593  0.25818464
   0.11669391  0.83817822  0.01682916
   0.33552289  0.92577514  0.32574561
   0.41663668  0.89612830  0.15714363
   0.17182177  0.79335504  0.20505082
   0.33250090  0.65803511  0.44470185
   0.07901973  0.59667261  0.40229612
   0.19096331  0.53221515  0.57272736
   0.36600177  0.70119191  0.76173478
   0.11841579  0.77639198  0.52890321
   0.39810873  0.97317122  0.80344608
   0.47826725  0.89489460  0.63776310
   0.20877855  0.90628291  0.68318553
   0.30578318  0.66301863 -0.04892225
   0.05464325  0.65517085  0.89138311
   0.62169959  0.03522643  0.09738300
   0.83474121  0.20562730  0.24449065
   0.57673619  0.28688950  0.03262399
   0.86889285  0.44470312  0.36231866
   0.03662650  0.35002480  0.18130356
   0.77386990  0.39748803  0.14936444
   0.71348035  0.16183316  0.40228616
   0.47317311  0.09666376  0.43631980
   0.65498730  0.06303996  0.56688276
   0.88066570  0.21484063  0.79411496
   0.58055043  0.32967810  0.52500096
   0.86876940  0.46574786  0.84892061
   0.99758213  0.43435553  0.69032042
   0.72721278  0.39213355  0.69311659
   0.75794789  0.14783341  0.93852402
   0.49527670  0.09686705  0.94455272
   0.56917567  0.54891071  0.07260012
   0.88944177  0.70138283  0.28322771
   0.59100549  0.79783975  0.02603637
   0.86216882  0.95855297  0.32704990
   0.92495195  0.86910837  0.14576111
   0.68034383  0.85012220  0.21284894
   0.83029454  0.65662679  0.45829302
   0.57607120  0.56023789  0.38593193
   0.64912869  0.57567009  0.56268158
   0.82596733  0.72184351  0.79169313
   0.60471299  0.79884404  0.42964133
   0.91376488  0.95645107  0.84452527
   0.96779229  0.83457479  0.67330681
   0.70376576  0.94099084  0.73545565
   0.80665017  0.63847546  0.98745801
   0.56423829  0.62279674  0.88569509
   0.70872211  0.81116711  0.57783626
   0.50019124  0.80767762  0.42965892
   0.89444183  0.18798317  0.07677604
   0.93512848  0.38377493  0.37667839
   0.32561869  0.10116289  0.65737497
   0.29030155  0.69658290  0.74336433
   0.20722253  1.07762599  0.19772941
   0.26497010  1.12255378  0.05371919
   0.67862732  0.33135084  0.86043965
   0.90930215  0.42001104  0.66480911
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940021    0.535923   -0.215402
    -0.000000    9.958367   -0.051628
    -0.000000    0.000000   13.913927
   Si   O    H 
    32    64    10
Direct configuration=  2163
   0.16461029  0.17949412 -0.02265350
   0.35355043  0.08368028  0.35833309
   0.14025487  0.40807550  0.10655944
   0.38066934  0.33777501  0.23939491
   0.09056032  0.15080789  0.48448361
   0.40473718  0.11977562  0.85774268
   0.12159892  0.39996278  0.61697072
   0.37863723  0.37464487  0.73585017
   0.15589518  0.68840158 -0.01813407
   0.41778814  0.58286984  0.35309287
   0.08257809  0.88507794  0.12754266
   0.32994068  0.82591736  0.23016900
   0.18513979  0.63961620  0.48643058
   0.40040798  0.61276589  0.85757143
   0.08273392  0.89417261  0.60878457
   0.35264165  0.97136973  0.69262707
   0.62392547  0.12803922  1.00357154
   0.84347942  0.12069246  0.34138324
   0.61303000  0.39534511  0.11751156
   0.89634358  0.28609844  0.16194162
   0.59958851  0.16726934  0.48783583
   0.89735877  0.10815577  0.87938678
   0.60554038  0.43419543  0.61165075
   0.78302379  0.35463265  0.80360937
   0.63762512  0.64711616 -0.01368575
   0.91655802  0.59851531  0.37200350
   0.58597764  0.88814608  0.12258562
   0.83903677  0.85016951  0.24695733
   0.65782984  0.64856662  0.46348911
   0.89469797  0.62545174  0.87795469
   0.63377259  0.92868388  0.62487381
   0.86123995  0.87306840  0.75435670
   0.12737306  0.03759093  0.17015015
   0.34393779  0.18889131  0.26516857
   0.12290721  0.32944372  0.00832579
   0.37310210  0.42798451  0.33459049
   0.53424580  0.35882214  0.21172674
   0.28693988  0.37599520  0.14547087
   0.22864869  0.12070462  0.43054603
  -0.03203698  0.18398978  0.40819097
   0.03179728  0.03911243  0.55758315
   0.44667180  0.23647551  0.77636690
   0.09262206  0.29149916  0.53743281
   0.34357595  0.46434695  0.82897652
   0.47658921  0.46140313  0.67171404
   0.23205206  0.33444317  0.68635961
   0.25737232  0.17148454 -0.11952030
   0.01925774  0.10485156  0.96015402
   0.13415715  0.56999711  0.07654052
   0.39573937  0.67444583  0.25862054
   0.11434662  0.83975037  0.01707924
   0.33652784  0.92620297  0.32587103
   0.41605848  0.89535166  0.15717799
   0.17235464  0.79187339  0.20575255
   0.33356309  0.65887995  0.44492605
   0.08025012  0.59650585  0.40175754
   0.19242718  0.53182736  0.57216163
   0.36942791  0.70008454  0.76184254
   0.11811380  0.77688198  0.52932567
   0.39768936  0.97309213  0.80346910
   0.47872934  0.89626105  0.63692881
   0.20677907  0.90725258  0.68248968
   0.30598549  0.66239529 -0.04916177
   0.05183593  0.65693645  0.89133952
   0.62119562  0.03629584  0.09725175
   0.83492318  0.20410849  0.24530846
   0.57827787  0.28529307  0.03272027
   0.87121231  0.44439714  0.36157131
   0.03828265  0.35110164  0.18229214
   0.77264349  0.39883576  0.14861727
   0.71445283  0.16024766  0.40349720
   0.47045024  0.09511606  0.43692204
   0.65653838  0.06104507  0.56814816
   0.87946171  0.21620943  0.79290048
   0.58065546  0.32931057  0.52463728
   0.86777513  0.46579403  0.84957543
   0.99832808  0.43410711  0.69065616
   0.72659213  0.39271880  0.69318297
   0.75687181  0.14806393  0.94004121
   0.49518353  0.09565246  0.94394882
   0.56805610  0.54940589  0.07301948
   0.88989279  0.70027029  0.28477479
   0.58973236  0.79846103  0.02529830
   0.86362395  0.95886077  0.32584856
   0.92463763  0.86975906  0.14477359
   0.67968022  0.84893158  0.21236795
   0.83106034  0.65721304  0.45766743
   0.57571663  0.56005849  0.38609726
   0.64808884  0.57686310  0.56146511
   0.82679202  0.72066171  0.79288384
   0.60139003  0.79952108  0.42780819
   0.91523462  0.95777434  0.84501812
   0.96743441  0.83375516  0.67344686
   0.70397446  0.94031112  0.73501716
   0.80604552  0.63739017  0.98599823
   0.56372213  0.62188506  0.88479057
   0.70542522  0.81099976  0.57792322
   0.52138992  0.80449486  0.42954581
   0.89413717  0.18443831  0.07406810
   0.94672423  0.37298478  0.38233023
   0.31931575  0.10850579  0.65429149
   0.26108595  0.69570081  0.73645820
   0.20008299  1.07259438  0.19707275
   0.26429388  1.12672888  0.05148195
   0.67490904  0.33225834  0.87026240
   0.90576833  0.41453272  0.66493254
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940916    0.535753   -0.216369
    -0.000000    9.957977   -0.053793
    -0.000000    0.000000   13.911933
   Si   O    H 
    32    64    10
Direct configuration=  2164
   0.16446119  0.17979100 -0.02365395
   0.35219206  0.08367667  0.35811544
   0.13997475  0.40876843  0.10671476
   0.38051022  0.33697072  0.23957333
   0.09128852  0.15123211  0.48524660
   0.40392482  0.12071805  0.85759022
   0.12236102  0.39895128  0.61674862
   0.37904510  0.37594071  0.73527669
   0.15469176  0.68798820 -0.01872568
   0.41739893  0.58200327  0.35293466
   0.08235795  0.88624146  0.12761353
   0.33034725  0.82609595  0.23072298
   0.18430609  0.63974387  0.48679979
   0.40115108  0.61136010  0.85743377
   0.08216790  0.89511374  0.60840501
   0.35267569  0.97178814  0.69389816
   0.62347155  0.12913755  1.00316108
   0.84478362  0.12068401  0.34187241
   0.61261832  0.39449793  0.11719958
   0.89617897  0.28592316  0.16246720
   0.59949878  0.16836327  0.48793389
   0.89724867  0.10723722  0.88038415
   0.60645240  0.43468187  0.61167224
   0.78429643  0.35707918  0.80353370
   0.63609493  0.64641062 -0.01343723
   0.91687300  0.59796980  0.37237268
   0.58570115  0.88826588  0.12203491
   0.84082834  0.84911199  0.24654278
   0.65661803  0.64899242  0.46337763
   0.89505917  0.62445991  0.87870205
   0.63301777  0.92837329  0.62513673
   0.86055507  0.87324339  0.75492336
   0.12574036  0.03807343  0.17104355
   0.34275816  0.18691707  0.26480070
   0.12140668  0.33017949  0.00774617
   0.37119925  0.42962780  0.33412281
   0.53484999  0.35991652  0.21270778
   0.28733361  0.37475058  0.14485698
   0.22642248  0.12058644  0.43147937
  -0.03403483  0.18349335  0.40835045
   0.03154042  0.03839510  0.55954830
   0.44739101  0.23632525  0.77615633
   0.09270767  0.29142551  0.53883140
   0.34582613  0.46516865  0.82890334
   0.47637261  0.46116826  0.67066004
   0.23165741  0.33323725  0.68527902
   0.25743895  0.17134489 -0.11999356
   0.02081554  0.10593224  0.96002890
   0.13479936  0.56911287  0.07720745
   0.39495517  0.67398472  0.25890808
   0.11195775  0.84207493  0.01770889
   0.33894791  0.92687057  0.32577484
   0.41645715  0.89437102  0.15731599
   0.17341124  0.79030169  0.20637411
   0.33474430  0.65958131  0.44482463
   0.08092918  0.59638238  0.40065428
   0.19398104  0.53113370  0.57161257
   0.37085174  0.69946722  0.76179250
   0.11782415  0.77820733  0.53004701
   0.39833660  0.97293199  0.80399938
   0.47927612  0.89723571  0.63624131
   0.20380269  0.90750675  0.68226915
   0.30678932  0.66159926 -0.05006652
   0.04995459  0.65923109  0.89133644
   0.62019442  0.03711504  0.09669193
   0.83434694  0.20175039  0.24597177
   0.58021835  0.28409289  0.03312789
   0.87394315  0.44356591  0.36094124
   0.03913914  0.35266153  0.18363134
   0.77136649  0.39965780  0.14746094
   0.71429825  0.15807135  0.40484731
   0.46749909  0.09359103  0.43721525
   0.65894030  0.05914360  0.56920351
   0.87855274  0.21671147  0.79122022
   0.58051722  0.32852362  0.52397891
   0.86773495  0.46579521  0.85054466
   0.99961706  0.43386933  0.69094623
   0.72561109  0.39234886  0.69289242
   0.75617667  0.14751861  0.94114842
   0.49492365  0.09412254  0.94345196
   0.56746391  0.54971060  0.07301555
   0.89023049  0.69943916  0.28644571
   0.58844683  0.79897652  0.02474272
   0.86485836  0.96007886  0.32467405
   0.92377131  0.87049454  0.14402184
   0.68021796  0.84736193  0.21200521
   0.83025375  0.65824267  0.45799996
   0.57563378  0.55970272  0.38698180
   0.64677311  0.57729849  0.56146602
   0.82730222  0.72027232  0.79391839
   0.60243787  0.79956647  0.42532656
   0.91621470  0.95835685  0.84515180
   0.96687310  0.83378249  0.67317785
   0.70446493  0.93908513  0.73499556
   0.80399172  0.63703227  0.98458381
   0.56260517  0.62101118  0.88353975
   0.70417649  0.81396381  0.57938069
   0.47464034  0.80911994  0.43083298
   0.89314439  0.18633955  0.07717808
   0.94715623  0.36582008  0.38524424
   0.31401165  0.11727720  0.65031912
   0.25176515  0.69594661  0.73448793
   0.20994047  1.07221395  0.19765442
   0.26226107  1.12829597  0.04732792
   0.67143998  0.33102577  0.87799197
   0.90635011  0.41361478  0.66487196
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941926    0.535393   -0.217019
    -0.000000    9.957429   -0.055813
    -0.000000    0.000000   13.910432
   Si   O    H 
    32    64    10
Direct configuration=  2165
   0.16437167  0.18028890 -0.02455989
   0.35060018  0.08346544  0.35779030
   0.13993618  0.40979624  0.10661420
   0.38075891  0.33676248  0.23962629
   0.09174260  0.15127241  0.48608765
   0.40350730  0.12139199  0.85687918
   0.12357178  0.39811708  0.61631141
   0.37884132  0.37625580  0.73462152
   0.15379320  0.68694747 -0.01927870
   0.41702745  0.58066310  0.35292019
   0.08194423  0.88727372  0.12812468
   0.33065917  0.82585678  0.23175975
   0.18282870  0.64032416  0.48697015
   0.40214914  0.60968544  0.85743099
   0.08209211  0.89590347  0.60809201
   0.35283110  0.97239039  0.69490211
   0.62317722  0.13118046  1.00295263
   0.84659995  0.12055313  0.34265955
   0.61229941  0.39395488  0.11637264
   0.89536323  0.28553092  0.16364071
   0.59944554  0.16880524  0.48813555
   0.89775710  0.10711573  0.88139558
   0.60750591  0.43507914  0.61127330
   0.78528690  0.35859120  0.80319493
   0.63501373  0.64557353 -0.01318233
   0.91761070  0.59773178  0.37267142
   0.58496128  0.88809125  0.12113534
   0.84245612  0.84780778  0.24626810
   0.65611247  0.64978713  0.46330588
   0.89451986  0.62353322  0.87926463
   0.63238065  0.92786601  0.62543193
   0.85980290  0.87275961  0.75493999
   0.12461169  0.03844898  0.17201504
   0.34132667  0.18481923  0.26508605
   0.12040993  0.33055450  0.00706414
   0.36935927  0.43093394  0.33405624
   0.53501369  0.36107706  0.21358654
   0.28894115  0.37395899  0.14458748
   0.22428487  0.11982652  0.43234500
  -0.03491281  0.18224156  0.40849939
   0.03109635  0.03761879  0.56077051
   0.44866577  0.23672108  0.77632055
   0.09259969  0.29096411  0.54022267
   0.34807805  0.46513278  0.82895907
   0.47604906  0.46061018  0.66969858
   0.23232268  0.33257758  0.68499658
   0.25642789  0.17151886 -0.11969259
   0.02241500  0.10751615  0.95991340
   0.13461316  0.56909741  0.07757223
   0.39430648  0.67292921  0.25939583
   0.11001469  0.84493830  0.01850415
   0.34034903  0.92877255  0.32547368
   0.41784322  0.89459399  0.15641581
   0.17399346  0.78884882  0.20684612
   0.33633840  0.65975684  0.44415406
   0.08136118  0.59493282  0.39992836
   0.19582603  0.52979373  0.57133807
   0.37137751  0.69835255  0.76208498
   0.11873742  0.77936800  0.53038996
   0.39909797  0.97378922  0.80458747
   0.47871450  0.89768845  0.63587947
   0.20106395  0.90841983  0.68263337
   0.30840563  0.66122446 -0.05110874
   0.04933525  0.66144181  0.89133864
   0.61921640  0.03771152  0.09597476
   0.83355736  0.19951905  0.24621632
   0.58282501  0.28243918  0.03399336
   0.87767909  0.44237892  0.36033563
   0.03995701  0.35317279  0.18509776
   0.77037459  0.40062344  0.14560422
   0.71386037  0.15596125  0.40623768
   0.46507860  0.09321962  0.43718886
   0.66131227  0.05794778  0.57053509
   0.87839636  0.21636295  0.78997898
   0.58061960  0.32713564  0.52361400
   0.86962095  0.46688464  0.85152194
   1.00151308  0.43379298  0.69115646
   0.72472061  0.39193282  0.69217786
   0.75613648  0.14613959  0.94239130
   0.49502179  0.09210236  0.94323265
   0.56714339  0.54974122  0.07253188
   0.89031843  0.69862274  0.28812999
   0.58771459  0.79877304  0.02410938
   0.86701828  0.96085988  0.32339026
   0.92303086  0.87135607  0.14396116
   0.68097881  0.84646726  0.21187794
   0.82840557  0.65938656  0.45869877
   0.57527563  0.55928487  0.38810772
   0.64526794  0.57785471  0.56262896
   0.82719790  0.71942228  0.79491155
   0.60222727  0.80063905  0.42357631
   0.91662373  0.95857260  0.84477877
   0.96645875  0.83470368  0.67268399
   0.70457320  0.93929105  0.73481925
   0.80254337  0.63609214  0.98362219
   0.56192965  0.62036332  0.88287521
   0.70181613  0.81821847  0.58214924
   0.44957024  0.81460975  0.43123606
   0.89432475  0.19380143  0.08153019
   0.93657232  0.36753515  0.38583443
   0.31113848  0.12034072  0.64809026
   0.25909306  0.69399959  0.73598478
   0.21908609  1.06850310  0.19490423
   0.26197842  1.13034610  0.04732000
   0.67216564  0.33131318  0.88027840
   0.90806564  0.41259748  0.66569739
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943330    0.534769   -0.217456
    -0.000000    9.957003   -0.057952
    -0.000000    0.000000   13.909596
   Si   O    H 
    32    64    10
Direct configuration=  2166
   0.16355597  0.18032422 -0.02561259
   0.34892235  0.08270594  0.35785253
   0.13966289  0.41097613  0.10617431
   0.38072267  0.33683369  0.23947240
   0.09244505  0.15113877  0.48699402
   0.40250839  0.12197330  0.85612099
   0.12541410  0.39762037  0.61630796
   0.37896317  0.37590673  0.73393736
   0.15303920  0.68609342 -0.01964304
   0.41674251  0.57986500  0.35349354
   0.08205989  0.88854030  0.12839747
   0.33069896  0.82525560  0.23273428
   0.18146481  0.64071700  0.48722832
   0.40283151  0.60835433  0.85727371
   0.08232041  0.89678790  0.60822018
   0.35258049  0.97282570  0.69564146
   0.62299603  0.13294839  1.00310693
   0.84840268  0.12071458  0.34370784
   0.61226012  0.39383689  0.11566352
   0.89411542  0.28576600  0.16449328
   0.59962975  0.16890103  0.48804449
   0.89825098  0.10718821  0.88253223
   0.60859775  0.43619801  0.61096239
   0.78580119  0.35995607  0.80327694
   0.63418897  0.64521355 -0.01286916
   0.91830831  0.59671794  0.37283509
   0.58363182  0.88767191  0.12016597
   0.84344846  0.84629395  0.24562390
   0.65609145  0.65084190  0.46306028
   0.89422208  0.62253042  0.88018637
   0.63150757  0.92731424  0.62576890
   0.85933716  0.87151836  0.75477409
   0.12412923  0.03861808  0.17263423
   0.34032857  0.18304520  0.26562946
   0.11857437  0.33062859  0.00650711
   0.36748549  0.43209283  0.33414964
   0.53490853  0.36240343  0.21465062
   0.29151735  0.37308539  0.14412995
   0.22277332  0.11904292  0.43314605
  -0.03532385  0.18116065  0.40852947
   0.03026090  0.03669205  0.56174222
   0.45015122  0.23684489  0.77668356
   0.09140012  0.29127681  0.54058395
   0.34844230  0.46517996  0.82886058
   0.47459654  0.45992660  0.66878699
   0.23336262  0.33220025  0.68491013
   0.25507341  0.17171840 -0.11938761
   0.02371713  0.10894879  0.95951510
   0.13476656  0.56928977  0.07767760
   0.39364117  0.67231302  0.25971162
   0.10888040  0.84735375  0.01922626
   0.34108445  0.92973238  0.32472594
   0.42030301  0.89539255  0.15438488
   0.17453467  0.78724789  0.20687139
   0.33705655  0.65952595  0.44303150
   0.08146545  0.59343766  0.39873921
   0.19690615  0.52794320  0.57163570
   0.37120326  0.69792594  0.76123753
   0.12045479  0.78065151  0.53051505
   0.39913653  0.97527360  0.80605153
   0.47794319  0.89809435  0.63567506
   0.19963811  0.90858078  0.68326979
   0.30926413  0.66078087 -0.05211828
   0.04845633  0.66373919  0.89115924
   0.61729060  0.03863043  0.09480954
   0.83365291  0.19746017  0.24680561
   0.58515052  0.28194869  0.03481665
   0.88042732  0.44122863  0.36054869
   0.04054462  0.35359273  0.18712259
   0.76920108  0.40154879  0.14408412
   0.71244993  0.15439364  0.40756136
   0.46289168  0.09296150  0.43753550
   0.66356112  0.05798027  0.57188567
   0.87767214  0.21535376  0.78894919
   0.58005703  0.32525201  0.52307841
   0.87231184  0.46846857  0.85238094
   1.00229631  0.43441229  0.69070548
   0.72351411  0.39121723  0.69206789
   0.75595094  0.14449501  0.94338543
   0.49585112  0.08908398  0.94302180
   0.56692784  0.54903259  0.07209530
   0.89003974  0.69866411  0.28851219
   0.58711115  0.79782653  0.02333890
   0.86976837  0.96113685  0.32227885
   0.92225493  0.87226262  0.14433762
   0.68289228  0.84469668  0.21181990
   0.82708786  0.65965285  0.45944467
   0.57467281  0.55829398  0.38855026
   0.64384759  0.57856955  0.56415349
   0.82647290  0.71926205  0.79579345
   0.60077076  0.80219502  0.42218018
   0.91681661  0.95891218  0.84415621
   0.96571317  0.83528824  0.67185630
   0.70499771  0.93920851  0.73445348
   0.80166273  0.63614237  0.98262143
   0.56040045  0.61977609  0.88177239
   0.70295739  0.81645399  0.58375236
   0.43794212  0.81716838  0.43250340
   0.89977782  0.20111084  0.08473062
   0.92913542  0.36951310  0.38637615
   0.31161635  0.11365305  0.64597374
   0.27883332  0.69319186  0.73856094
   0.21680217  1.06414581  0.19038410
   0.25866478  1.13019577  0.04759382
   0.67698858  0.33032363  0.87779779
   0.91517133  0.41558497  0.67045500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944941    0.534357   -0.217886
    -0.000000    9.956557   -0.059716
    -0.000000    0.000000   13.908956
   Si   O    H 
    32    64    10
Direct configuration=  2167
   0.16297193  0.17922784 -0.02651684
   0.34734837  0.08180236  0.35801829
   0.13961164  0.41249883  0.10615444
   0.38092078  0.33645173  0.23913894
   0.09255717  0.15083131  0.48777513
   0.40179459  0.12213261  0.85551419
   0.12731145  0.39791278  0.61638490
   0.37940366  0.37570372  0.73347294
   0.15213955  0.68499643 -0.01968586
   0.41689258  0.57941784  0.35418927
   0.08219225  0.89017675  0.12892173
   0.33020016  0.82481829  0.23368542
   0.18033181  0.64093418  0.48733096
   0.40347132  0.60764729  0.85707634
   0.08174614  0.89728823  0.60837751
   0.35226905  0.97293084  0.69599072
   0.62311458  0.13470708  1.00331601
   0.84969246  0.12165798  0.34464894
   0.61212031  0.39413296  0.11504214
   0.89275701  0.28616398  0.16512593
   0.60019002  0.16872322  0.48811653
   0.89883990  0.10735800  0.88312274
   0.60921422  0.43736085  0.61044944
   0.78559543  0.36124364  0.80322740
   0.63351598  0.64475731 -0.01269443
   0.91916767  0.59583126  0.37347005
   0.58264592  0.88783879  0.11959766
   0.84401756  0.84425837  0.24448028
   0.65661130  0.65203582  0.46242404
   0.89321158  0.62226121  0.88113537
   0.63004123  0.92664686  0.62570258
   0.85875606  0.86967800  0.75452995
   0.12375177  0.03958548  0.17299695
   0.33931912  0.18234150  0.26652031
   0.11778717  0.33152016  0.00662538
   0.36651158  0.43317937  0.33436703
   0.53497185  0.36261555  0.21542551
   0.29411253  0.37248767  0.14405080
   0.22148071  0.11822667  0.43332371
  -0.03472436  0.18029293  0.40905439
   0.03068018  0.03634772  0.56202501
   0.45112820  0.23643589  0.77719092
   0.09023152  0.29176929  0.54057115
   0.35011424  0.46448845  0.82863517
   0.47209651  0.45933360  0.66777475
   0.23481006  0.33119613  0.68509230
   0.25306801  0.17191935 -0.11916240
   0.02456465  0.10965238  0.95916228
   0.13443204  0.57053108  0.07759994
   0.39335374  0.67244157  0.25961941
   0.10869924  0.84807534  0.01975839
   0.34185649  0.93070632  0.32394369
   0.42254913  0.89594618  0.15278333
   0.17504769  0.78535192  0.20652631
   0.33748041  0.65869964  0.44198453
   0.08177836  0.59118754  0.39774680
   0.19837396  0.52628688  0.57167322
   0.37102249  0.69743672  0.76036509
   0.12195958  0.78257744  0.53066308
   0.39913901  0.97665961  0.80736940
   0.47584617  0.89906778  0.63499743
   0.19949062  0.90927846  0.68437596
   0.30966452  0.66116223 -0.05316590
   0.04826119  0.66572353  0.89069226
   0.61574265  0.03981602  0.09367850
   0.83437518  0.19534119  0.24687457
   0.58695167  0.28178480  0.03627091
   0.88182487  0.44108486  0.36067789
   0.03986875  0.35371787  0.18902135
   0.76844887  0.40342961  0.14227428
   0.71095561  0.15357422  0.40838461
   0.46121144  0.09254742  0.43740718
   0.66534486  0.05901148  0.57301979
   0.87761466  0.21402435  0.78866512
   0.57980780  0.32312457  0.52214942
   0.87529020  0.46995406  0.85325418
   1.00423606  0.43545489  0.69019376
   0.72307330  0.39069283  0.69179271
   0.75608155  0.14312204  0.94335269
   0.49673117  0.08636954  0.94279424
   0.56731559  0.54855021  0.07208135
   0.88990108  0.69906129  0.28960407
   0.58655920  0.79658343  0.02320166
   0.87236812  0.96107103  0.32081528
   0.92147334  0.87274608  0.14476142
   0.68459878  0.84363665  0.21162249
   0.82559817  0.65963814  0.46043789
   0.57379054  0.55746133  0.38854879
   0.64204792  0.57907876  0.56515600
   0.82667788  0.71870387  0.79666359
   0.59855144  0.80415847  0.42084160
   0.91691893  0.95858103  0.84302591
   0.96444756  0.83591522  0.67128444
   0.70563995  0.93894704  0.73377681
   0.80118011  0.63603958  0.98215551
   0.55925697  0.61993070  0.88083051
   0.70375313  0.81214163  0.58346072
   0.43683396  0.81764737  0.43200180
   0.90515637  0.20430987  0.08320775
   0.92716774  0.35964286  0.39025478
   0.31279109  0.10249428  0.64497860
   0.29779816  0.69204012  0.74134720
   0.21433731  1.06058645  0.18487378
   0.25508896  1.12892792  0.04860480
   0.68413134  0.33571126  0.86937097
   0.91208766  0.42027432  0.67343806
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946307    0.534124   -0.218558
    -0.000000    9.956850   -0.061862
    -0.000000    0.000000   13.908454
   Si   O    H 
    32    64    10
Direct configuration=  2168
   0.16202760  0.17856276 -0.02714859
   0.34621797  0.08088514  0.35822889
   0.13957529  0.41399877  0.10622871
   0.38095049  0.33564161  0.23938407
   0.09239851  0.15053282  0.48855666
   0.40103437  0.12239662  0.85508001
   0.12920476  0.39820446  0.61678736
   0.37996359  0.37401677  0.73301678
   0.15150249  0.68359531 -0.01937353
   0.41664006  0.57891894  0.35515165
   0.08278398  0.89223204  0.13013453
   0.33022867  0.82378191  0.23405752
   0.17923687  0.64211010  0.48715293
   0.40292955  0.60705327  0.85674572
   0.08108749  0.89825353  0.60884575
   0.35172330  0.97275892  0.69653513
   0.62317110  0.13537586  1.00365173
   0.85032981  0.12206115  0.34551955
   0.61233248  0.39504856  0.11486681
   0.89171025  0.28669966  0.16636540
   0.60011815  0.16781509  0.48801369
   0.89841069  0.10707691  0.88327924
   0.60974506  0.43802145  0.61003445
   0.78529187  0.36240161  0.80315089
   0.63287410  0.64405563 -0.01282990
   0.92014283  0.59482797  0.37412920
   0.58117293  0.88701484  0.11926366
   0.84462945  0.84260840  0.24308356
   0.65740487  0.65323285  0.46163820
   0.89264974  0.62212557  0.88178011
   0.62871026  0.92587539  0.62576707
   0.85780695  0.86806658  0.75468320
   0.12277234  0.04088992  0.17328610
   0.33861587  0.18267394  0.26770160
   0.11805075  0.33211283  0.00673696
   0.36516719  0.43481447  0.33466263
   0.53535610  0.36268659  0.21655518
   0.29530988  0.37162142  0.14358148
   0.22081986  0.11718333  0.43317667
  -0.03403970  0.18042713  0.40990256
   0.03195479  0.03708470  0.56197904
   0.45173270  0.23597119  0.77826807
   0.08921087  0.29274421  0.53998024
   0.35156888  0.46487453  0.82888228
   0.47003680  0.45933789  0.66656210
   0.23775717  0.32997049  0.68547241
   0.25168714  0.17193607 -0.11919098
   0.02456230  0.11042648  0.95794186
   0.13397090  0.57223927  0.07707284
   0.39273178  0.67249031  0.25988460
   0.10885534  0.84875179  0.01960369
   0.34188988  0.93143761  0.32361559
   0.42479150  0.89647015  0.15099763
   0.17507227  0.78464900  0.20614765
   0.33703149  0.65892133  0.44139779
   0.08239412  0.58983620  0.39695680
   0.19846565  0.52573309  0.57153676
   0.37429209  0.69765665  0.76092224
   0.12389821  0.78474242  0.53084882
   0.39882516  0.97793672  0.80821138
   0.47293035  0.90032231  0.63440538
   0.19963353  0.91038379  0.68539761
   0.30973108  0.66202978 -0.05364317
   0.04814879  0.66711121  0.88998363
   0.61372007  0.04155359  0.09274225
   0.83531466  0.19319178  0.24646090
   0.58868668  0.28251205  0.03816333
   0.88285320  0.44011996  0.36067849
   0.03971152  0.35363953  0.19018399
   0.76828165  0.40538263  0.14049806
   0.71013427  0.15350497  0.40894810
   0.46081825  0.09315090  0.43723964
   0.66640679  0.06081677  0.57319129
   0.87780042  0.21326058  0.78855726
   0.58011640  0.32142559  0.52151704
   0.87754112  0.47154175  0.85391236
   1.00578878  0.43732909  0.68921746
   0.72276352  0.39041630  0.69145575
   0.75651889  0.14186135  0.94309835
   0.49789030  0.08401893  0.94266053
   0.56721282  0.54818456  0.07160803
   0.89028033  0.69967329  0.29029941
   0.58584499  0.79489454  0.02274294
   0.87423678  0.96190518  0.31932142
   0.92066566  0.87284035  0.14482930
   0.68596733  0.84236841  0.21099667
   0.82325213  0.65920344  0.46124716
   0.57298615  0.55702634  0.38857208
   0.64006170  0.58018570  0.56571253
   0.82702636  0.71821505  0.79762154
   0.59529375  0.80633008  0.41977662
   0.91672898  0.95766024  0.84257554
   0.96402955  0.83628665  0.67115205
   0.70586534  0.93860420  0.73341743
   0.80036187  0.63540963  0.98190756
   0.55897850  0.61977451  0.87982050
   0.70635995  0.80494955  0.58358219
   0.44699355  0.81559927  0.43370966
   0.91002324  0.20727465  0.08129401
   0.92474083  0.35419403  0.39323225
   0.31500784  0.08923552  0.64171174
   0.26558022  0.68765017  0.72799600
   0.21399195  1.05954041  0.18043595
   0.25460139  1.12564968  0.05024036
   0.68639693  0.34204048  0.86372109
   0.90682383  0.42542322  0.67210681
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947376    0.533968   -0.218882
    -0.000000    9.956854   -0.063190
    -0.000000    0.000000   13.907662
   Si   O    H 
    32    64    10
Direct configuration=  2169
   0.16112005  0.17784518 -0.02792304
   0.34509158  0.08087273  0.35836215
   0.13921414  0.41522762  0.10666549
   0.38066317  0.33519942  0.23970167
   0.09193879  0.15044668  0.48895155
   0.40103588  0.12296965  0.85462200
   0.13030606  0.39862020  0.61675755
   0.38006135  0.37252883  0.73283862
   0.15089526  0.68249447 -0.01842942
   0.41639263  0.57891994  0.35607374
   0.08346814  0.89340489  0.13149079
   0.33045856  0.82307117  0.23475877
   0.17857346  0.64214226  0.48677390
   0.40220658  0.60672229  0.85656394
   0.08026521  0.89882158  0.60941791
   0.35091972  0.97223502  0.69671663
   0.62293550  0.13566265  1.00370919
   0.85016024  0.12176526  0.34652154
   0.61264103  0.39668197  0.11436726
   0.89024408  0.28744489  0.16773210
   0.60054709  0.16684286  0.48773681
   0.89811045  0.10675286  0.88386570
   0.61021225  0.43866807  0.60946929
   0.78609285  0.36336716  0.80310371
   0.63267615  0.64308429 -0.01267304
   0.92080715  0.59395518  0.37491213
   0.58042495  0.88574391  0.11922268
   0.84508461  0.84122395  0.24203148
   0.65788023  0.65463426  0.46068463
   0.89241965  0.62206942  0.88273298
   0.62722944  0.92477475  0.62580352
   0.85698576  0.86585935  0.75459368
   0.12146417  0.04230030  0.17334963
   0.33783190  0.18308215  0.26887478
   0.11751217  0.33249883  0.00707525
   0.36245865  0.43590472  0.33580311
   0.53541908  0.36320155  0.21758207
   0.29659684  0.37095265  0.14294279
   0.22072916  0.11621177  0.43269901
  -0.03261434  0.18134457  0.41085310
   0.03236676  0.03790998  0.56214199
   0.45186131  0.23583394  0.77933278
   0.08836931  0.29353735  0.53932634
   0.35230373  0.46467688  0.82859833
   0.46755907  0.45847177  0.66572599
   0.24147746  0.32872858  0.68563130
   0.24972202  0.17210385 -0.11926609
   0.02347036  0.11002838  0.95674498
   0.13346303  0.57382477  0.07708152
   0.39211506  0.67237840  0.26044741
   0.10942833  0.84862839  0.01933136
   0.34211372  0.93162128  0.32360408
   0.42711362  0.89703337  0.14956462
   0.17566542  0.78460829  0.20543910
   0.33631449  0.65920207  0.44113759
   0.08386187  0.58863412  0.39655003
   0.19820651  0.52610104  0.57085254
   0.37710820  0.69784873  0.76100505
   0.12526183  0.78743607  0.53049331
   0.39849275  0.97825912  0.80875992
   0.46997236  0.90096850  0.63452722
   0.20005422  0.91207934  0.68680404
   0.30901669  0.66411865 -0.05325711
   0.04788314  0.66820065  0.89000177
   0.61268905  0.04230289  0.09230391
   0.83629194  0.19169153  0.24619042
   0.59066680  0.28332195  0.04027511
   0.88378755  0.43798230  0.36059726
   0.03951652  0.35361244  0.19077989
   0.76819053  0.40672788  0.13865661
   0.71013200  0.15329225  0.40883400
   0.46221971  0.09445094  0.43727867
   0.66681825  0.06345991  0.57341784
   0.87808127  0.21265616  0.78834818
   0.58077310  0.31972713  0.52097171
   0.87947249  0.47287135  0.85468549
   1.00750610  0.43969553  0.68816087
   0.72205998  0.39052363  0.69171244
   0.75712561  0.14006272  0.94264360
   0.49837760  0.08199585  0.94309075
   0.56769215  0.54760267  0.07045709
   0.88959531  0.70021357  0.29074563
   0.58621290  0.79313730  0.02256681
   0.87526177  0.96287539  0.31809644
   0.92064413  0.87296111  0.14498422
   0.68697743  0.84160876  0.20975044
   0.82103754  0.65894258  0.46165906
   0.57211396  0.55684514  0.38858917
   0.63836614  0.58232849  0.56646815
   0.82714652  0.71830901  0.79879622
   0.59103944  0.80834121  0.41966076
   0.91738805  0.95569017  0.84184491
   0.96322851  0.83651108  0.67083509
   0.70610885  0.93857685  0.73299124
   0.79909221  0.63475830  0.98184919
   0.55867028  0.61980549  0.87939568
   0.70511852  0.80207525  0.58580117
   0.47140894  0.81518126  0.43461776
   0.91495559  0.20761515  0.07730901
   0.92125075  0.35527112  0.39452044
   0.31695980  0.08302097  0.63649847
   0.25411212  0.68577387  0.72230098
   0.21839946  1.05792412  0.17765181
   0.25240578  1.12484938  0.05190230
   0.67763862  0.34348157  0.86265774
   0.90822501  0.43014770  0.66972134
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948436    0.534003   -0.219584
    -0.000000    9.957125   -0.064659
    -0.000000    0.000000   13.906956
   Si   O    H 
    32    64    10
Direct configuration=  2170
   0.16062081  0.17751930 -0.02802573
   0.34400595  0.08107210  0.35849127
   0.13924822  0.41658771  0.10696136
   0.37968725  0.33476835  0.24052736
   0.09063073  0.15021652  0.48875779
   0.40127832  0.12315127  0.85441827
   0.13087339  0.39915593  0.61712955
   0.38047167  0.37140027  0.73303444
   0.15025470  0.68138327 -0.01741361
   0.41633667  0.57868184  0.35678264
   0.08415109  0.89363561  0.13294220
   0.33116484  0.82274147  0.23576111
   0.17782033  0.64284004  0.48637797
   0.40100889  0.60661179  0.85651631
   0.07906719  0.89905055  0.61043908
   0.34998077  0.97134223  0.69711045
   0.62277311  0.13563068  1.00306964
   0.84958982  0.12162469  0.34779550
   0.61333267  0.39819297  0.11368953
   0.88846719  0.28819915  0.16865245
   0.60112766  0.16512240  0.48736397
   0.89750613  0.10716198  0.88417559
   0.61003320  0.43904679  0.60838726
   0.78626400  0.36359210  0.80249190
   0.63225621  0.64236449 -0.01266731
   0.92174132  0.59375104  0.37598099
   0.57950366  0.88544589  0.11941110
   0.84551619  0.84005679  0.24132866
   0.65808606  0.65577785  0.46000126
   0.89237870  0.62215441  0.88351703
   0.62676569  0.92377990  0.62582419
   0.85569201  0.86368747  0.75445202
   0.12008011  0.04379108  0.17366294
   0.33730027  0.18381362  0.26959357
   0.11715168  0.33249877  0.00771893
   0.35922718  0.43672277  0.33695279
   0.53539518  0.36299302  0.21855866
   0.29738370  0.37079871  0.14241994
   0.22080056  0.11473565  0.43194580
  -0.03140812  0.18225160  0.41147395
   0.03196629  0.03901967  0.56195362
   0.45306505  0.23574280  0.78059829
   0.08779926  0.29374411  0.53876382
   0.35254035  0.46348945  0.82821749
   0.46568971  0.45781169  0.66468669
   0.24524791  0.32735739  0.68597087
   0.24857889  0.17190454 -0.11919292
   0.02173840  0.11009439  0.95521940
   0.13296251  0.57591154  0.07701074
   0.39211463  0.67220752  0.26050940
   0.10988210  0.84728036  0.01859249
   0.34132112  0.93096290  0.32341418
   0.42874470  0.89698486  0.14877960
   0.17608628  0.78504228  0.20421888
   0.33494070  0.66070977  0.44039352
   0.08519591  0.58774203  0.39658393
   0.19740335  0.52635055  0.56960865
   0.37911018  0.69814408  0.76042233
   0.12654859  0.78983767  0.53013120
   0.39804642  0.97773335  0.80814427
   0.46827790  0.90147808  0.63441475
   0.19958127  0.91367685  0.68839968
   0.30804443  0.66598201 -0.05287782
   0.04709121  0.66907617  0.88930160
   0.61176246  0.04306386  0.09195200
   0.83740691  0.19022850  0.24608658
   0.59226357  0.28401576  0.04206138
   0.88363986  0.43728005  0.36094790
   0.03920623  0.35363005  0.19040160
   0.76967337  0.40762458  0.13735608
   0.71114391  0.15298464  0.40773316
   0.46407662  0.09564706  0.43752891
   0.66668859  0.06683721  0.57362513
   0.87829808  0.21296526  0.78851770
   0.58153063  0.31914569  0.51999112
   0.88133397  0.47304893  0.85540144
   1.00893898  0.44106791  0.68707606
   0.72187269  0.39097702  0.69166333
   0.75846858  0.13898892  0.94208374
   0.49859208  0.08025477  0.94313358
   0.56879596  0.54782439  0.06858363
   0.88908333  0.70024014  0.29137950
   0.58635412  0.79180082  0.02285976
   0.87604073  0.96314498  0.31740392
   0.92117156  0.87282427  0.14484222
   0.68792969  0.84061831  0.20886317
   0.81970830  0.65819323  0.46204145
   0.57152023  0.55647652  0.38859987
   0.63684124  0.58340041  0.56663573
   0.82665177  0.71836787  0.79974329
   0.58645190  0.81004618  0.42024018
   0.91891054  0.95339074  0.84154430
   0.96088821  0.83646174  0.67016683
   0.70676574  0.93863023  0.73269875
   0.79711638  0.63452441  0.98157188
   0.55936709  0.61977322  0.87993798
   0.70339130  0.80258436  0.58728132
   0.50955062  0.81208388  0.43283667
   0.91436296  0.20905674  0.07670006
   0.91989646  0.36498475  0.39443109
   0.32118344  0.08367028  0.62962472
   0.25602258  0.69129055  0.72349062
   0.22022996  1.05718650  0.17424289
   0.24706845  1.12279880  0.04962366
   0.66670421  0.34880412  0.86338033
   0.91727318  0.43516351  0.66786639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949475    0.534240   -0.219819
    -0.000000    9.957138   -0.066506
    -0.000000    0.000000   13.906089
   Si   O    H 
    32    64    10
Direct configuration=  2171
   0.16090905  0.17738283 -0.02778207
   0.34305521  0.08168753  0.35845164
   0.13909201  0.41707413  0.10722088
   0.37872190  0.33454542  0.24169998
   0.08932977  0.15007046  0.48852117
   0.40250825  0.12308664  0.85405149
   0.13169933  0.39930876  0.61752662
   0.38156955  0.37049037  0.73308908
   0.14996359  0.68048886 -0.01608692
   0.41659766  0.57869784  0.35717581
   0.08448124  0.89336431  0.13428305
   0.33224269  0.82274475  0.23627333
   0.17790670  0.64343771  0.48553936
   0.39915468  0.60695181  0.85676923
   0.07841516  0.89966990  0.61153155
   0.34908176  0.97050622  0.69746509
   0.62294168  0.13606454  1.00210459
   0.84866118  0.12162464  0.34925586
   0.61406243  0.39975446  0.11368788
   0.88751841  0.28836685  0.16922447
   0.60209070  0.16257950  0.48722297
   0.89669087  0.10745301  0.88438416
   0.60932530  0.43885374  0.60754566
   0.78670249  0.36331801  0.80151009
   0.63213149  0.64150020 -0.01269363
   0.92228013  0.59286722  0.37700489
   0.57959984  0.88530435  0.11927574
   0.84575644  0.83938355  0.24125679
   0.65749128  0.65702383  0.45890429
   0.89248377  0.62252340  0.88375404
   0.62642393  0.92321464  0.62548545
   0.85426452  0.86162545  0.75426918
   0.11971858  0.04481110  0.17383824
   0.33735732  0.18503731  0.26982363
   0.11701638  0.33152685  0.00908328
   0.35623139  0.43783827  0.33808708
   0.53589897  0.36251301  0.21944568
   0.29877837  0.37014043  0.14235181
   0.22084529  0.11312331  0.43151844
  -0.03060512  0.18260381  0.41131567
   0.03092134  0.04035363  0.56169929
   0.45453360  0.23551240  0.78136889
   0.08686514  0.29460964  0.53847621
   0.35329578  0.46171125  0.82801193
   0.46502746  0.45708836  0.66335286
   0.24781693  0.32603924  0.68613677
   0.24750271  0.17240203 -0.11910931
   0.02111800  0.10930542  0.95431611
   0.13260364  0.57765903  0.07669153
   0.39282520  0.67267258  0.26072848
   0.11091223  0.84557553  0.01775039
   0.34017474  0.93065987  0.32317984
   0.42921533  0.89722483  0.14846741
   0.17691657  0.78502450  0.20361105
   0.33334566  0.66205963  0.44022435
   0.08577226  0.58671160  0.39647480
   0.19667137  0.52805035  0.56851407
   0.37981629  0.69836573  0.75950569
   0.12705213  0.79197716  0.52973116
   0.39750583  0.97657762  0.80754460
   0.46678910  0.90130658  0.63444101
   0.19904106  0.91472811  0.68971660
   0.30711214  0.66738410 -0.05287535
   0.04663391  0.66954158  0.88905379
   0.61148757  0.04400949  0.09179608
   0.83798487  0.18873614  0.24591549
   0.59363465  0.28376989  0.04415615
   0.88319431  0.43750039  0.36068867
   0.03933386  0.35376041  0.19031018
   0.77197917  0.40705787  0.13597470
   0.71224757  0.15289037  0.40682525
   0.46600755  0.09784482  0.43780508
   0.66637052  0.06950461  0.57406881
   0.87733538  0.21333699  0.78879597
   0.58192214  0.31936619  0.51975554
   0.88277308  0.47222825  0.85601986
   1.01073323  0.44196542  0.68637903
   0.72184720  0.39174148  0.69139413
   0.75942180  0.13772509  0.94181673
   0.49831661  0.07892816  0.94280656
   0.57041741  0.54738154  0.06698855
   0.88873437  0.69961070  0.29217006
   0.58686194  0.79195947  0.02333033
   0.87665215  0.96317273  0.31712272
   0.92250996  0.87246986  0.14395160
   0.68824851  0.83943563  0.20791286
   0.81933698  0.65763525  0.46279281
   0.57142763  0.55557969  0.38814151
   0.63511699  0.58463264  0.56660520
   0.82652919  0.71870560  0.80094339
   0.58633850  0.81147625  0.42105839
   0.92032948  0.95230319  0.84161063
   0.95843856  0.83707135  0.66930551
   0.70713916  0.93920398  0.73222455
   0.79540555  0.63481938  0.98093124
   0.56035463  0.61937717  0.88051638
   0.70342506  0.80479431  0.58566490
   0.49124446  0.81212410  0.43856092
   0.91135468  0.21507163  0.07906134
   0.92480526  0.36346970  0.39891043
   0.32643162  0.08634717  0.62511430
   0.27128295  0.69496657  0.72659915
   0.21383319  1.05522937  0.17190378
   0.24174320  1.12027932  0.04674662
   0.66070893  0.35716815  0.86543721
   0.91763280  0.43567669  0.66325049
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951034    0.534619   -0.220266
    -0.000000    9.956838   -0.068038
    -0.000000    0.000000   13.905673
   Si   O    H 
    32    64    10
Direct configuration=  2172
   0.16133123  0.17738831 -0.02733296
   0.34189660  0.08312673  0.35894520
   0.13883868  0.41714981  0.10773784
   0.37830581  0.33467658  0.24293956
   0.08828002  0.14941143  0.48918461
   0.40323472  0.12281598  0.85365498
   0.13280565  0.39922992  0.61820483
   0.38277309  0.36953876  0.73332945
   0.14988582  0.68102993 -0.01509977
   0.41639143  0.57807262  0.35738473
   0.08447976  0.89272425  0.13519936
   0.33290635  0.82294779  0.23715980
   0.17762816  0.64458999  0.48465692
   0.39731940  0.60787597  0.85696095
   0.07771192  0.89966417  0.61263271
   0.34853637  0.97011312  0.69800397
   0.62260919  0.13639477  1.00097571
   0.84771412  0.12128460  0.34988891
   0.61517229  0.40138178  0.11357190
   0.88751044  0.28870703  0.16940548
   0.60260168  0.16009348  0.48716405
   0.89501740  0.10827196  0.88442077
   0.60861663  0.43828498  0.60648709
   0.78773590  0.36337304  0.80123521
   0.63221953  0.64068667 -0.01279397
   0.92344708  0.59278663  0.37854393
   0.57972289  0.88544837  0.11955091
   0.84540361  0.83877331  0.24160445
   0.65679892  0.65797214  0.45823591
   0.89284974  0.62278890  0.88433294
   0.62627733  0.92334742  0.62490317
   0.85270504  0.85926674  0.75454384
   0.11907141  0.04649988  0.17440569
   0.33737495  0.18650099  0.26997251
   0.11722240  0.33158721  0.01038876
   0.35361589  0.43864227  0.33978900
   0.53600307  0.36275696  0.22036441
   0.29972247  0.37017173  0.14218677
   0.22049090  0.11099213  0.43169273
  -0.02985390  0.18292926  0.41067045
   0.03067039  0.04188708  0.56062256
   0.45592175  0.23473992  0.78222615
   0.08671821  0.29521859  0.53785852
   0.35323260  0.45997703  0.82813136
   0.46479110  0.45643115  0.66208398
   0.24923215  0.32422814  0.68575466
   0.24699213  0.17343331 -0.11955727
   0.02088624  0.10860022  0.95356965
   0.13076877  0.57968932  0.07607419
   0.39329746  0.67401465  0.26144137
   0.11207761  0.84383703  0.01721764
   0.33804716  0.93039952  0.32356567
   0.42845455  0.89657533  0.14913494
   0.17790360  0.78602475  0.20344701
   0.33149575  0.66281014  0.44008727
   0.08642182  0.58526667  0.39627852
   0.19624948  0.52973753  0.56784431
   0.37856452  0.69792541  0.75755106
   0.12735259  0.79384467  0.52925968
   0.39700861  0.97526426  0.80699678
   0.46635330  0.90109693  0.63468571
   0.19883863  0.91658372  0.69100098
   0.30630825  0.66853310 -0.05272903
   0.04610842  0.66910796  0.88939487
   0.61129355  0.04408842  0.09231787
   0.83889934  0.18748276  0.24605151
   0.59487409  0.28345311  0.04576044
   0.88256445  0.43729903  0.36017022
   0.03880215  0.35349290  0.19040005
   0.77437383  0.40544766  0.13480146
   0.71345635  0.15277390  0.40586727
   0.46782875  0.09999891  0.43849629
   0.66615184  0.07172794  0.57424739
   0.87591005  0.21352382  0.78962055
   0.58240838  0.32044122  0.51981213
   0.88362350  0.47065131  0.85622533
   1.01247041  0.44291399  0.68554708
   0.72255700  0.39219063  0.69126903
   0.75978980  0.13584307  0.94178612
   0.49782610  0.07784232  0.94251063
   0.57211641  0.54654299  0.06576227
   0.88818907  0.69857681  0.29300508
   0.58707252  0.79219529  0.02342776
   0.87705021  0.96324122  0.31774852
   0.92338451  0.87161119  0.14344524
   0.68814635  0.83842526  0.20701360
   0.81912412  0.65726741  0.46336821
   0.57134451  0.55517315  0.38746851
   0.63349773  0.58587241  0.56701459
   0.82615823  0.71848989  0.80208159
   0.58738356  0.81254712  0.42207884
   0.92238159  0.95119876  0.84111717
   0.95615603  0.83766608  0.66794732
   0.70730970  0.93990616  0.73116646
   0.79395865  0.63587335  0.98050878
   0.56111709  0.61977803  0.88167650
   0.70283958  0.80803732  0.58453888
   0.47553949  0.81396458  0.44270627
   0.90594505  0.22058404  0.08203629
   0.92686393  0.36192203  0.40250975
   0.33513674  0.08679790  0.62258279
   0.30034085  0.69588330  0.73586692
   0.21409835  1.05781329  0.17072455
   0.24318984  1.11681022  0.04360768
   0.66053802  0.36406039  0.86477230
   0.91877413  0.43809942  0.66055679
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952782    0.535049   -0.220600
    -0.000000    9.956927   -0.069678
    -0.000000    0.000000   13.905100
   Si   O    H 
    32    64    10
Direct configuration=  2173
   0.16165218  0.17738436 -0.02664959
   0.34105038  0.08489256  0.35951182
   0.13831355  0.41692893  0.10811203
   0.37790336  0.33474195  0.24413285
   0.08675230  0.14905027  0.48979290
   0.40352230  0.12271615  0.85285952
   0.13422626  0.39974044  0.61880097
   0.38384086  0.36879835  0.73336931
   0.15024193  0.68127439 -0.01403641
   0.41622554  0.57792063  0.35745439
   0.08469284  0.89205473  0.13544095
   0.33356525  0.82300061  0.23779310
   0.17781421  0.64537355  0.48409985
   0.39500151  0.60819684  0.85687964
   0.07751535  0.89916787  0.61381564
   0.34770087  0.96976688  0.69795714
   0.62230381  0.13644093  1.00014722
   0.84620636  0.12062309  0.35019314
   0.61604138  0.40341613  0.11364248
   0.88775764  0.28896513  0.16953823
   0.60337744  0.15769549  0.48736933
   0.89322907  0.10926071  0.88378600
   0.60833459  0.43750031  0.60557776
   0.78924401  0.36321021  0.80124160
   0.63210119  0.64019097 -0.01338819
   0.92441166  0.59234449  0.38015141
   0.57947361  0.88583982  0.11989337
   0.84486138  0.83825269  0.24224208
   0.65581594  0.65934511  0.45735403
   0.89287079  0.62292254  0.88484483
   0.62641079  0.92389385  0.62456781
   0.85151106  0.85761553  0.75524772
   0.11917879  0.04781845  0.17441016
   0.33639215  0.18699455  0.27008413
   0.11731151  0.33090744  0.01191044
   0.35015484  0.43834459  0.34118351
   0.53620805  0.36275464  0.22066622
   0.29962322  0.37065607  0.14240929
   0.22022945  0.10876447  0.43195393
  -0.02929288  0.18349011  0.40965221
   0.03048086  0.04326711  0.55963673
   0.45694799  0.23436686  0.78274416
   0.08629256  0.29656938  0.53703557
   0.35293639  0.45971966  0.82803281
   0.46479298  0.45515536  0.66133844
   0.25026216  0.32170516  0.68501879
   0.24731645  0.17482992 -0.12041650
   0.02055499  0.10862226  0.95335966
   0.12821574  0.58087439  0.07555124
   0.39401781  0.67406112  0.26257993
   0.11382277  0.84227275  0.01757061
   0.33602972  0.93013284  0.32433370
   0.42634111  0.89601434  0.14941477
   0.17977410  0.78730688  0.20366831
   0.33026605  0.66437026  0.44047965
   0.08667949  0.58468517  0.39645815
   0.19548752  0.53039375  0.56730219
   0.37999158  0.69793751  0.75655078
   0.12744535  0.79496758  0.52784913
   0.39706950  0.97352312  0.80683960
   0.46647238  0.90022487  0.63499041
   0.19758526  0.91809694  0.69192989
   0.30573683  0.66942371 -0.05198339
   0.04538910  0.66840161  0.88997216
   0.61107466  0.04394950  0.09334990
   0.83999598  0.18646986  0.24601762
   0.59532533  0.28219344  0.04676184
   0.88163287  0.43695243  0.35954842
   0.03823364  0.35387343  0.19010253
   0.77694771  0.40371508  0.13418592
   0.71471960  0.15288242  0.40498628
   0.46927435  0.10186074  0.43913423
   0.66628304  0.07318947  0.57530233
   0.87451264  0.21428372  0.79063945
   0.58258645  0.32207380  0.51968823
   0.88387089  0.46854618  0.85569616
   1.01346207  0.44489522  0.68497847
   0.72367489  0.39264622  0.69132013
   0.75984919  0.13449432  0.94166704
   0.49696421  0.07766074  0.94288054
   0.57306763  0.54500392  0.06520777
   0.88761375  0.69687430  0.29438756
   0.58731760  0.79318118  0.02392900
   0.87718294  0.96330507  0.31844999
   0.92392219  0.87114443  0.14279198
   0.68813889  0.83745356  0.20577772
   0.81900675  0.65647413  0.46397104
   0.57139468  0.55488150  0.38691103
   0.63211755  0.58705971  0.56784896
   0.82542275  0.71767994  0.80289783
   0.58816341  0.81377808  0.42270485
   0.92378451  0.95094914  0.84064289
   0.95453998  0.83766478  0.66624969
   0.70776111  0.93994867  0.72998564
   0.79238032  0.63655048  0.97976941
   0.56243218  0.61955430  0.88265264
   0.70234336  0.81087514  0.58141668
   0.47877522  0.81661406  0.44604063
   0.89916959  0.22065741  0.08147656
   0.92819105  0.36794468  0.40356090
   0.34179848  0.08889117  0.62747284
   0.29041502  0.69944212  0.73371880
   0.21831244  1.06395323  0.16929185
   0.25082634  1.10808320  0.04419694
   0.66302380  0.37012329  0.86223049
   0.92586933  0.44005031  0.65848722
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954329    0.534952   -0.221401
    -0.000000    9.957090   -0.070841
    -0.000000    0.000000   13.904510
   Si   O    H 
    32    64    10
Direct configuration=  2174
   0.16200677  0.17715103 -0.02595716
   0.34019651  0.08630661  0.36007357
   0.13771385  0.41664114  0.10887558
   0.37796871  0.33504766  0.24576839
   0.08537464  0.14885326  0.49037705
   0.40358541  0.12255934  0.85262893
   0.13525779  0.39992333  0.61901612
   0.38515334  0.36810061  0.73351884
   0.15104720  0.68126324 -0.01355635
   0.41645525  0.57876699  0.35718634
   0.08507309  0.89099405  0.13571682
   0.33353752  0.82262338  0.23807679
   0.17844109  0.64571277  0.48361168
   0.39275455  0.60889867  0.85679029
   0.07775442  0.89848757  0.61470346
   0.34734068  0.96957317  0.69765803
   0.62147609  0.13686773  0.99934729
   0.84526446  0.12013427  0.35024858
   0.61639522  0.40544005  0.11436215
   0.88827086  0.28945953  0.16951289
   0.60415173  0.15552029  0.48770237
   0.89129939  0.10984316  0.88306763
   0.60798988  0.43672136  0.60516086
   0.79047791  0.36328638  0.80137735
   0.63215144  0.63965664 -0.01395592
   0.92500755  0.59208992  0.38162111
   0.57964411  0.88603074  0.12019356
   0.84384045  0.83804672  0.24291518
   0.65451220  0.66099204  0.45676808
   0.89317183  0.62354888  0.88537696
   0.62635811  0.92402306  0.62398759
   0.85029772  0.85637759  0.75528891
   0.11931784  0.04898099  0.17432087
   0.33531885  0.18653026  0.26977772
   0.11692727  0.32995248  0.01272055
   0.34725256  0.43696083  0.34174790
   0.53630628  0.36285942  0.22035198
   0.29945565  0.37190170  0.14249597
   0.21902496  0.10721526  0.43288417
  -0.02898308  0.18332101  0.40880549
   0.03027259  0.04394813  0.55885562
   0.45759683  0.23451684  0.78333166
   0.08576115  0.29802459  0.53655794
   0.35192420  0.45958965  0.82849965
   0.46501037  0.45366582  0.66019735
   0.25085888  0.31933465  0.68449521
   0.24781088  0.17549833 -0.12131926
   0.02065877  0.10808856  0.95306051
   0.12528372  0.58096273  0.07480090
   0.39431103  0.67374381  0.26315692
   0.11498597  0.84040487  0.01789546
   0.33358880  0.92998043  0.32496415
   0.42347013  0.89486882  0.15022758
   0.18100077  0.78871146  0.20397763
   0.32846493  0.66544685  0.44075790
   0.08696462  0.58343370  0.39617299
   0.19394645  0.53113658  0.56674285
   0.38151007  0.69800528  0.75607914
   0.12804675  0.79591041  0.52637083
   0.39694268  0.97227875  0.80697258
   0.46757973  0.89927570  0.63531845
   0.19625463  0.91982037  0.69232868
   0.30545845  0.67067399 -0.05073081
   0.04502777  0.66702011  0.89130195
   0.61117144  0.04372916  0.09437570
   0.84092563  0.18576766  0.24614039
   0.59572135  0.28037809  0.04746130
   0.88095970  0.43603360  0.35872758
   0.03829670  0.35452079  0.18963856
   0.77901894  0.40269954  0.13368891
   0.71541634  0.15374371  0.40414617
   0.47038234  0.10359414  0.43931221
   0.66662561  0.07353088  0.57687672
   0.87333211  0.21450545  0.79120444
   0.58235425  0.32383879  0.51945932
   0.88386247  0.46712030  0.85498119
   1.01418776  0.44639863  0.68446074
   0.72423312  0.39393301  0.69060349
   0.75979731  0.13377221  0.94210396
   0.49646970  0.07787745  0.94336771
   0.57315473  0.54370751  0.06488670
   0.88631396  0.69523790  0.29517331
   0.58725760  0.79396822  0.02437137
   0.87719144  0.96353164  0.31882927
   0.92477206  0.87111414  0.14245901
   0.68834425  0.83673590  0.20464746
   0.81964416  0.65586508  0.46412187
   0.57120019  0.55461958  0.38682578
   0.63111800  0.58766019  0.56877917
   0.82415750  0.71707048  0.80310610
   0.58882762  0.81484835  0.42366662
   0.92431895  0.95075216  0.84019636
   0.95222830  0.83769258  0.66516990
   0.70768726  0.94012097  0.72905746
   0.79151619  0.63729943  0.97921448
   0.56298210  0.61900435  0.88299197
   0.70241152  0.81515225  0.57881016
   0.49693778  0.81817324  0.44791249
   0.89340626  0.21529887  0.07653682
   0.92555451  0.37866105  0.40115131
   0.34312044  0.08903843  0.63550701
   0.27496412  0.70498692  0.72884244
   0.21607539  1.07173739  0.16721689
   0.25205883  1.10240469  0.04548107
   0.66643044  0.37768200  0.85905594
   0.92500629  0.43926353  0.65577185
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955741    0.534924   -0.222550
    -0.000000    9.957528   -0.072175
    -0.000000    0.000000   13.904094
   Si   O    H 
    32    64    10
Direct configuration=  2175
   0.16200192  0.17705522 -0.02509007
   0.33965246  0.08803955  0.36082049
   0.13651741  0.41613389  0.10951097
   0.37816992  0.33570031  0.24725244
   0.08404163  0.14896270  0.49035177
   0.40292818  0.12263183  0.85239801
   0.13633322  0.40074840  0.61921197
   0.38738157  0.36739209  0.73400432
   0.15188465  0.68158668 -0.01364739
   0.41631654  0.57973700  0.35707627
   0.08603644  0.88991769  0.13548205
   0.33415532  0.82268588  0.23805680
   0.17928138  0.64629116  0.48316964
   0.39103667  0.60960431  0.85682541
   0.07771564  0.89833296  0.61514002
   0.34683791  0.96901454  0.69763806
   0.62072267  0.13716914  0.99867469
   0.84410451  0.12024091  0.35017133
   0.61624185  0.40714394  0.11563298
   0.88846390  0.28997154  0.16908725
   0.60463986  0.15375270  0.48789878
   0.88977284  0.11008729  0.88196789
   0.60748336  0.43632065  0.60425814
   0.79168324  0.36262562  0.80152314
   0.63230677  0.63930340 -0.01433362
   0.92501355  0.59168219  0.38303655
   0.57971187  0.88640642  0.12024677
   0.84339058  0.83857494  0.24380891
   0.65283732  0.66220152  0.45668482
   0.89311850  0.62447898  0.88601407
   0.62651005  0.92389600  0.62326452
   0.84945083  0.85569857  0.75567510
   0.11916296  0.04956217  0.17379162
   0.33438031  0.18572562  0.26917921
   0.11707041  0.32709309  0.01313444
   0.34381303  0.43580923  0.34181363
   0.53649043  0.36298081  0.21869376
   0.29878071  0.37319779  0.14336574
   0.21721942  0.10574684  0.43368626
  -0.02957253  0.18297817  0.40798403
   0.03014460  0.04330223  0.55829607
   0.45767975  0.23461043  0.78364114
   0.08518276  0.29961968  0.53603087
   0.35128633  0.45879344  0.82949825
   0.46479452  0.45123605  0.65944899
   0.25104773  0.31823366  0.68419583
   0.24811131  0.17628804 -0.12282022
   0.02096245  0.10725536  0.95286375
   0.12212292  0.57998425  0.07443150
   0.39546540  0.67399024  0.26363886
   0.11634097  0.83921571  0.01864881
   0.33225139  0.92971129  0.32571698
   0.41969901  0.89374011  0.15148449
   0.18160747  0.78984274  0.20393200
   0.32754151  0.66629392  0.44017993
   0.08670403  0.58212590  0.39548732
   0.19263853  0.53163136  0.56649004
   0.38153026  0.69858365  0.75535369
   0.12789282  0.79595680  0.52464057
   0.39681919  0.97155406  0.80694022
   0.46935329  0.89823133  0.63529275
   0.19533740  0.92145549  0.69223011
   0.30584632  0.67085737 -0.04953022
   0.04524398  0.66531493  0.89282213
   0.61123122  0.04309066  0.09571075
   0.84202401  0.18480848  0.24667799
   0.59619731  0.27894851  0.04746756
   0.87956788  0.43613441  0.35803627
   0.03866277  0.35612957  0.18952234
   0.78007974  0.40147222  0.13321414
   0.71577016  0.15452402  0.40344099
   0.47082909  0.10506692  0.43945282
   0.66700104  0.07357788  0.57790127
   0.87260830  0.21340227  0.79152322
   0.58218062  0.32523678  0.51895714
   0.88441365  0.46662284  0.85489702
   1.01465276  0.44753829  0.68375852
   0.72451861  0.39544570  0.69030650
   0.75904241  0.13329263  0.94276991
   0.49565138  0.07816490  0.94467361
   0.57285061  0.54262928  0.06495990
   0.88536037  0.69391309  0.29597971
   0.58674473  0.79439724  0.02484122
   0.87679974  0.96411968  0.31917776
   0.92568659  0.87184338  0.14170318
   0.68710259  0.83554158  0.20350222
   0.82074830  0.65500664  0.46445998
   0.57092687  0.55423341  0.38648436
   0.63096317  0.58809846  0.56945752
   0.82395997  0.71599360  0.80413801
   0.59020605  0.81496909  0.42443524
   0.92409099  0.95008874  0.84028553
   0.94991717  0.83822142  0.66395806
   0.70710523  0.93956913  0.72709645
   0.79164737  0.63786167  0.97849690
   0.56243820  0.61837436  0.88278369
   0.70275029  0.81582304  0.57809291
   0.51040835  0.81846897  0.44860989
   0.88705452  0.21145624  0.07454302
   0.93470748  0.37720295  0.40760999
   0.34290201  0.09118853  0.64473449
   0.27342121  0.70570191  0.72867059
   0.21055497  1.08073114  0.16602196
   0.25226194  1.09884079  0.04697462
   0.67258093  0.38236526  0.85787173
   0.92000141  0.43831344  0.65432322
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956936    0.534479   -0.223564
    -0.000000    9.957888   -0.073319
    -0.000000    0.000000   13.903458
   Si   O    H 
    32    64    10
Direct configuration=  2176
   0.16226106  0.17720773 -0.02426444
   0.33893398  0.08918676  0.36157760
   0.13610986  0.41595639  0.11005468
   0.37822490  0.33627586  0.24840255
   0.08315757  0.14930561  0.48994256
   0.40222286  0.12301285  0.85316689
   0.13756780  0.40095433  0.61926387
   0.38912896  0.36687130  0.73421897
   0.15245442  0.68243554 -0.01369481
   0.41585192  0.58137642  0.35738542
   0.08793678  0.88888965  0.13534703
   0.33512633  0.82233520  0.23800407
   0.18025645  0.64740893  0.48241860
   0.38919312  0.61000801  0.85663108
   0.07739400  0.89794131  0.61537593
   0.34643127  0.96896472  0.69721037
   0.61979797  0.13730202  0.99797488
   0.84347928  0.11971882  0.35050737
   0.61603543  0.40820364  0.11741123
   0.88818705  0.29012890  0.16825261
   0.60530783  0.15227525  0.48801539
   0.88876023  0.10952727  0.88089076
   0.60736520  0.43555315  0.60328093
   0.79229134  0.36183923  0.80115890
   0.63292484  0.63957663 -0.01505938
   0.92474477  0.59163901  0.38386017
   0.57992290  0.88688443  0.12047991
   0.84366748  0.83866999  0.24428045
   0.65177599  0.66292595  0.45697485
   0.89294820  0.62552481  0.88648981
   0.62648833  0.92424488  0.62242678
   0.84935125  0.85595164  0.75625920
   0.11950253  0.05016194  0.17335533
   0.33340227  0.18413262  0.26880110
   0.11712883  0.32480446  0.01356586
   0.34068411  0.43396348  0.34182796
   0.53695486  0.36307789  0.21674960
   0.29778054  0.37414033  0.14407256
   0.21596898  0.10482777  0.43451857
  -0.02977697  0.18216888  0.40750130
   0.02981472  0.04187176  0.55808405
   0.45797917  0.23529990  0.78460262
   0.08462169  0.30147586  0.53555210
   0.35119805  0.45895043  0.83054347
   0.46479729  0.44837958  0.65928721
   0.25041006  0.31766487  0.68336718
   0.24833839  0.17593101 -0.12382491
   0.02129216  0.10567417  0.95276336
   0.11868827  0.57883109  0.07423371
   0.39650699  0.67415697  0.26419340
   0.11757001  0.83773025  0.01953077
   0.33121168  0.92953010  0.32732824
   0.41614640  0.89279740  0.15255793
   0.18190731  0.79040549  0.20361765
   0.32593545  0.66640523  0.43921875
   0.08681626  0.58117359  0.39541587
   0.19256551  0.53126548  0.56612168
   0.38073868  0.69930959  0.75464808
   0.12817296  0.79573753  0.52322148
   0.39585582  0.97186002  0.80677457
   0.47125937  0.89588014  0.63458073
   0.19478435  0.92169202  0.69162204
   0.30651187  0.67038490 -0.04841640
   0.04561611  0.66365772  0.89455651
   0.61157685  0.04205446  0.09662423
   0.84317654  0.18456004  0.24723450
   0.59651767  0.27840480  0.04755471
   0.87844247  0.43650213  0.35745070
   0.03834963  0.35738414  0.18972833
   0.78061425  0.40112780  0.13295217
   0.71628404  0.15611512  0.40339508
   0.47105353  0.10647065  0.43950249
   0.66724512  0.07296961  0.57918867
   0.87227152  0.21248018  0.79194446
   0.58230461  0.32550981  0.51899315
   0.88499261  0.46587224  0.85498696
   1.01507373  0.44842454  0.68347322
   0.72504702  0.39744273  0.69034421
   0.75797389  0.13270789  0.94364056
   0.49434122  0.07895337  0.94571161
   0.57207793  0.54129030  0.06567051
   0.88354264  0.69278587  0.29695833
   0.58622186  0.79379715  0.02544699
   0.87622102  0.96409134  0.31912219
   0.92584327  0.87305457  0.14144729
   0.68525639  0.83391571  0.20244227
   0.82161919  0.65464877  0.46488910
   0.57100041  0.55320633  0.38617675
   0.63153587  0.58948165  0.56969597
   0.82399866  0.71487398  0.80462956
   0.59223873  0.81455659  0.42480057
   0.92356607  0.95022352  0.83962741
   0.94681588  0.83817689  0.66265524
   0.70698536  0.93861262  0.72516991
   0.79247010  0.63815396  0.97794658
   0.56086978  0.61766291  0.88241342
   0.70671018  0.81526109  0.57613162
   0.49353638  0.82311151  0.45748183
   0.88256171  0.20660607  0.07365023
   0.93502531  0.37801071  0.41076332
   0.34297554  0.09978028  0.65439463
   0.28671095  0.70391781  0.73076826
   0.20887934  1.09065945  0.16739881
   0.24776306  1.10087570  0.04522314
   0.67412163  0.38393370  0.85696254
   0.92308376  0.43602384  0.65619337
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957848    0.534021   -0.225019
    -0.000000    9.958405   -0.074602
    -0.000000    0.000000   13.902936
   Si   O    H 
    32    64    10
Direct configuration=  2177
   0.16201301  0.17704706 -0.02406082
   0.33834735  0.09008575  0.36276213
   0.13576466  0.41536474  0.11070885
   0.37831599  0.33696856  0.24916885
   0.08197355  0.14941516  0.48893792
   0.40109169  0.12395911  0.85372751
   0.13944478  0.40053241  0.61986328
   0.39034217  0.36603749  0.73483515
   0.15263332  0.68320030 -0.01364224
   0.41515901  0.58292169  0.35765945
   0.08948504  0.88779925  0.13511717
   0.33595619  0.82239082  0.23756814
   0.18069811  0.64840595  0.48154044
   0.38763932  0.61010687  0.85640193
   0.07624526  0.89786139  0.61527001
   0.34704376  0.96906639  0.69681456
   0.61905446  0.13785922  0.99784974
   0.84261910  0.11894471  0.35043955
   0.61588372  0.40870506  0.11959395
   0.88788148  0.29000101  0.16731444
   0.60639389  0.15253676  0.48817935
   0.88814913  0.10879864  0.87977928
   0.60760615  0.43460269  0.60221842
   0.79254089  0.36124988  0.80049315
   0.63283120  0.64013754 -0.01578066
   0.92453045  0.59156633  0.38484502
   0.58016810  0.88717181  0.12054222
   0.84389384  0.83905651  0.24482414
   0.65138971  0.66365416  0.45739606
   0.89272581  0.62626765  0.88682810
   0.62667183  0.92445711  0.62187655
   0.84932018  0.85650434  0.75661449
   0.11977133  0.05036100  0.17330283
   0.33238754  0.18282365  0.26780169
   0.11717331  0.32228042  0.01416262
   0.33865177  0.43243283  0.34170894
   0.53709999  0.36274425  0.21520424
   0.29628757  0.37528948  0.14487350
   0.21481589  0.10372632  0.43507163
  -0.03050345  0.18115396  0.40741890
   0.02947707  0.03968370  0.55868646
   0.45845394  0.23579842  0.78582112
   0.08426768  0.30275503  0.53469035
   0.35101551  0.45937883  0.83169671
   0.46478942  0.44563493  0.65878803
   0.24977869  0.31762612  0.68305858
   0.24792137  0.17559605 -0.12468695
   0.02092335  0.10463711  0.95259448
   0.11536112  0.57788222  0.07470540
   0.39785452  0.67386456  0.26469618
   0.11837751  0.83623634  0.02095393
   0.32951844  0.92977425  0.32827301
   0.41422759  0.89207884  0.15301655
   0.18238962  0.79101903  0.20361797
   0.32430641  0.66624083  0.43857002
   0.08711630  0.57975983  0.39590470
   0.19281301  0.53126416  0.56605313
   0.38017674  0.70032138  0.75455584
   0.12802738  0.79545649  0.52217519
   0.39531110  0.97247764  0.80699264
   0.47331750  0.89303862  0.63403616
   0.19427665  0.92175536  0.69075709
   0.30783142  0.66907082 -0.04746487
   0.04648583  0.66187302  0.89635446
   0.61237093  0.04074975  0.09757958
   0.84412848  0.18465745  0.24739037
   0.59638391  0.27807542  0.04712512
   0.87799363  0.43733067  0.35782205
   0.03750515  0.35813061  0.18994901
   0.78109829  0.40177717  0.13280485
   0.71612922  0.15790079  0.40362394
   0.47082192  0.10772801  0.43902459
   0.66671398  0.07254765  0.58072903
   0.87205150  0.21069626  0.79208038
   0.58266231  0.32581276  0.51893631
   0.88559948  0.46550668  0.85475454
   1.01458595  0.44951658  0.68356432
   0.72584929  0.39894662  0.69014903
   0.75625469  0.13199853  0.94415356
   0.49274308  0.07931955  0.94649025
   0.57126503  0.54097902  0.06662468
   0.88213602  0.69137058  0.29731388
   0.58624117  0.79301918  0.02607247
   0.87550413  0.96307042  0.31944980
   0.92563697  0.87406795  0.14211261
   0.68351726  0.83277537  0.20172186
   0.82221688  0.65418767  0.46525192
   0.57190089  0.55241242  0.38560408
   0.63127597  0.59076219  0.56866256
   0.82400406  0.71322632  0.80519727
   0.59312718  0.81467486  0.42606656
   0.92250600  0.95012142  0.83913434
   0.94416452  0.83822469  0.66147878
   0.70654126  0.93734112  0.72431760
   0.79359107  0.63842955  0.97774795
   0.55859345  0.61654413  0.88165587
   0.70617185  0.81764309  0.57434455
   0.48861297  0.82935214  0.46205471
   0.88247562  0.20501291  0.07570270
   0.92788824  0.38187967  0.40638623
   0.34259362  0.11056847  0.66182939
   0.29520033  0.70449412  0.73474382
   0.19924456  1.09689111  0.16864900
   0.24461961  1.09846672  0.04213825
   0.67471562  0.38114679  0.85896266
   0.92903014  0.43644798  0.66230816
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959482    0.533200   -0.226459
    -0.000000    9.959105   -0.076066
    -0.000000    0.000000   13.901970
   Si   O    H 
    32    64    10
Direct configuration=  2178
   0.16099942  0.17657925 -0.02387921
   0.33816455  0.09081863  0.36388141
   0.13519543  0.41509166  0.11109866
   0.37865463  0.33770628  0.24999861
   0.08161969  0.14971745  0.48827224
   0.39938134  0.12441930  0.85400874
   0.14091221  0.39995109  0.62092091
   0.39110377  0.36543529  0.73585897
   0.15216600  0.68365575 -0.01350753
   0.41452648  0.58455615  0.35804890
   0.09063248  0.88670434  0.13431065
   0.33624657  0.82231161  0.23702870
   0.18120704  0.64903163  0.48082510
   0.38638031  0.61026973  0.85628138
   0.07460111  0.89778107  0.61507106
   0.34775945  0.96878841  0.69617754
   0.61855146  0.13798572  0.99804219
   0.84314330  0.11816846  0.35059413
   0.61614846  0.40837987  0.12173639
   0.88806747  0.28956971  0.16654233
   0.60762046  0.15302774  0.48825929
   0.88770988  0.10696746  0.87872592
   0.60824371  0.43390339  0.60134416
   0.79280264  0.36075777  0.79990550
   0.63300632  0.64034541 -0.01651674
   0.92400370  0.59139560  0.38568385
   0.57944901  0.88718046  0.12015878
   0.84301629  0.83979795  0.24479464
   0.65135061  0.66443780  0.45800157
   0.89284099  0.62727837  0.88714029
   0.62724922  0.92493076  0.62129496
   0.84881753  0.85736844  0.75678199
   0.12012005  0.05017461  0.17321376
   0.33134229  0.18209702  0.26715860
   0.11698126  0.32061857  0.01484430
   0.33741732  0.43219037  0.34164712
   0.53713940  0.36253502  0.21429274
   0.29539061  0.37673495  0.14550656
   0.21354254  0.10304911  0.43527760
  -0.03094273  0.17985973  0.40705245
   0.02970796  0.03711192  0.55954739
   0.45953929  0.23568225  0.78628597
   0.08370585  0.30344568  0.53432932
   0.35065111  0.45899475  0.83317437
   0.46451349  0.44293894  0.65802813
   0.24925533  0.31733854  0.68328448
   0.24674124  0.17518373 -0.12529716
   0.02029055  0.10326555  0.95226874
   0.11293337  0.57719560  0.07476430
   0.39908374  0.67333516  0.26461324
   0.11834137  0.83478184  0.02254159
   0.32850803  0.93009031  0.32965506
   0.41319639  0.89238189  0.15309591
   0.18265984  0.79082462  0.20407177
   0.32316074  0.66580340  0.43766696
   0.08784862  0.57876371  0.39647392
   0.19294188  0.53177329  0.56615402
   0.37983766  0.70135268  0.75488139
   0.12749482  0.79509338  0.52191181
   0.39533692  0.97299379  0.80735121
   0.47398528  0.89023205  0.63389722
   0.19422980  0.92147250  0.68922680
   0.30901683  0.66734014 -0.04639182
   0.04783929  0.65976030  0.89777413
   0.61236161  0.03909838  0.09879350
   0.84388823  0.18534791  0.24729305
   0.59652455  0.27919230  0.04658164
   0.87756397  0.43818564  0.35799755
   0.03562552  0.35995791  0.19071047
   0.78074673  0.40302681  0.13223108
   0.71489285  0.15969581  0.40372298
   0.47029289  0.10927959  0.43871082
   0.66684570  0.07195909  0.58154492
   0.87175289  0.20952994  0.79299526
   0.58220660  0.32542988  0.51863289
   0.88542313  0.46553105  0.85482737
   1.01468815  0.45036227  0.68377627
   0.72651707  0.40071991  0.69021434
   0.75471661  0.13113538  0.94417114
   0.49119189  0.07909325  0.94695697
   0.57056759  0.54035865  0.06668431
   0.88105797  0.69019230  0.29730348
   0.58570855  0.79164211  0.02626945
   0.87435269  0.96187450  0.31952636
   0.92529888  0.87543169  0.14358434
   0.68246633  0.83097009  0.20174129
   0.82270809  0.65421501  0.46615158
   0.57288594  0.55198574  0.38526958
   0.63144049  0.59236432  0.56748950
   0.82351515  0.71223657  0.80494827
   0.59309698  0.81489136  0.42783151
   0.92153201  0.95040215  0.83852887
   0.94186192  0.83863897  0.66093579
   0.70667534  0.93564743  0.72405803
   0.79463226  0.63882773  0.97775385
   0.55579246  0.61541757  0.88118124
   0.70471124  0.82283483  0.57205343
   0.49512310  0.83105926  0.46236907
   0.88667935  0.20404524  0.07819817
   0.92264883  0.38173659  0.40241224
   0.33984749  0.11791833  0.66844413
   0.28019628  0.70596282  0.73218955
   0.19661391  1.10327649  0.16908360
   0.24397460  1.09516177  0.03975162
   0.67703109  0.37365054  0.86152491
   0.92009063  0.43414887  0.66346439
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960378    0.532433   -0.228063
    -0.000000    9.959613   -0.077209
    -0.000000    0.000000   13.901086
   Si   O    H 
    32    64    10
Direct configuration=  2179
   0.15954248  0.17598825 -0.02382555
   0.33828603  0.09138241  0.36527302
   0.13453835  0.41505121  0.11150058
   0.37862477  0.33806466  0.25035665
   0.08156256  0.15000284  0.48818688
   0.39823841  0.12396871  0.85458821
   0.14232569  0.39988776  0.62140997
   0.39190299  0.36472037  0.73719567
   0.15179661  0.68427824 -0.01323661
   0.41388037  0.58593406  0.35869613
   0.09084753  0.88652415  0.13337391
   0.33674213  0.82235205  0.23713644
   0.18184570  0.64966961  0.47984013
   0.38585973  0.61081401  0.85614435
   0.07278616  0.89792119  0.61409967
   0.34840437  0.96849022  0.69604709
   0.61783078  0.13807371  0.99889198
   0.84399218  0.11766377  0.35065462
   0.61666860  0.40770591  0.12340002
   0.88908495  0.28913468  0.16522203
   0.60858078  0.15452199  0.48828625
   0.88770926  0.10484755  0.87802018
   0.60912386  0.43316912  0.60054009
   0.79246210  0.36047543  0.79902152
   0.63279044  0.64088991 -0.01729572
   0.92352543  0.59187245  0.38650816
   0.57835127  0.88719582  0.11963388
   0.84150498  0.84033332  0.24483646
   0.65117114  0.66490720  0.45858210
   0.89261799  0.62724931  0.88716632
   0.62812971  0.92472420  0.62050179
   0.84847333  0.85876753  0.75691156
   0.12052336  0.04912544  0.17349934
   0.33081265  0.18105712  0.26673222
   0.11774353  0.31933591  0.01628635
   0.33656620  0.43145884  0.34156831
   0.53621331  0.36236522  0.21390785
   0.29410223  0.37861346  0.14668231
   0.21276995  0.10232435  0.43579133
  -0.03119642  0.17896913  0.40604867
   0.02994349  0.03532373  0.56040882
   0.46066705  0.23468331  0.78669943
   0.08306713  0.30339634  0.53420344
   0.35018532  0.45859027  0.83459895
   0.46465017  0.44021758  0.65758918
   0.24918432  0.31699209  0.68357369
   0.24558314  0.17446666 -0.12595449
   0.01919354  0.10231610  0.95156477
   0.11089399  0.57601082  0.07526345
   0.40078776  0.67313097  0.26460855
   0.11847092  0.83303004  0.02382638
   0.32758963  0.93020424  0.33072864
   0.41288579  0.89207081  0.15300176
   0.18353700  0.79032598  0.20435729
   0.32300795  0.66583643  0.43739376
   0.08941055  0.57788416  0.39710718
   0.19357450  0.53238534  0.56585317
   0.37859286  0.70228575  0.75552905
   0.12633912  0.79470168  0.52201944
   0.39606264  0.97281965  0.80766831
   0.47424959  0.88698531  0.63311842
   0.19394573  0.92138269  0.68787417
   0.30939350  0.66518568 -0.04517512
   0.04904672  0.65839824  0.89888224
   0.61164251  0.03774713  0.09940573
   0.84442771  0.18588656  0.24701936
   0.59664201  0.28117136  0.04592283
   0.87683714  0.43988357  0.35700029
   0.03328728  0.36082964  0.19165631
   0.77987042  0.40425571  0.13185895
   0.71318853  0.16154494  0.40456408
   0.46853491  0.11019047  0.43802144
   0.66621503  0.07215734  0.58111176
   0.87144542  0.20934534  0.79382693
   0.58224010  0.32431312  0.51793853
   0.88628980  0.46555473  0.85488070
   1.01460886  0.45056889  0.68456683
   0.72709875  0.40276424  0.69064324
   0.75285205  0.13032344  0.94384269
   0.48940745  0.07956521  0.94694432
   0.57015807  0.54039515  0.06648821
   0.88055051  0.68969536  0.29745794
   0.58496123  0.79032119  0.02661569
   0.87325837  0.96102510  0.32001015
   0.92569893  0.87590440  0.14480130
   0.68242067  0.82954573  0.20192503
   0.82254495  0.65427715  0.46681962
   0.57245026  0.55246684  0.38524399
   0.63175384  0.59431602  0.56615287
   0.82238299  0.71184657  0.80394584
   0.59142363  0.81605967  0.42982295
   0.92037600  0.95037847  0.83761004
   0.94036394  0.83823604  0.66090285
   0.70676312  0.93402162  0.72419879
   0.79531098  0.63855002  0.97765074
   0.55364318  0.61427037  0.88076175
   0.70456365  0.82399351  0.56758596
   0.51161169  0.83004816  0.45936370
   0.89264303  0.20579728  0.08112248
   0.92518490  0.37238292  0.40346394
   0.34038975  0.11994929  0.67338288
   0.27474352  0.70725983  0.73164522
   0.19958477  1.11259408  0.16944790
   0.24889850  1.09069131  0.04175954
   0.67700184  0.36167504  0.86609034
   0.92023336  0.42701687  0.66609413
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961474    0.531854   -0.229445
    -0.000000    9.960164   -0.078444
    -0.000000    0.000000   13.900031
   Si   O    H 
    32    64    10
Direct configuration=  2180
   0.15770599  0.17550938 -0.02413103
   0.33811756  0.09116726  0.36673870
   0.13441579  0.41528415  0.11211106
   0.37833265  0.33804702  0.25006156
   0.08191060  0.14991454  0.48820681
   0.39669312  0.12341449  0.85530881
   0.14331349  0.40033710  0.62138660
   0.39291251  0.36473212  0.73838586
   0.15095390  0.68481128 -0.01290348
   0.41314568  0.58717521  0.35891596
   0.09113821  0.88707709  0.13222703
   0.33692666  0.82195585  0.23726774
   0.18244433  0.64909093  0.47961492
   0.38580266  0.61085316  0.85585897
   0.07136386  0.89793024  0.61289525
   0.34876775  0.96884889  0.69589594
   0.61686791  0.13821885  1.00037532
   0.84517213  0.11782570  0.35038147
   0.61640669  0.40688146  0.12449791
   0.89001140  0.28825391  0.16447406
   0.60904295  0.15592285  0.48848538
   0.88759721  0.10231753  0.87780267
   0.60936183  0.43288341  0.59970032
   0.79265957  0.36020620  0.79829290
   0.63267011  0.64142281 -0.01789899
   0.92275480  0.59190757  0.38743272
   0.57760957  0.88662552  0.11914345
   0.84035815  0.84033700  0.24477604
   0.65131410  0.66411555  0.45933333
   0.89170228  0.62688515  0.88722137
   0.62926034  0.92477665  0.61974244
   0.84752100  0.86007737  0.75688247
   0.12120610  0.04839027  0.17369684
   0.33033548  0.17988094  0.26665789
   0.11892234  0.31924423  0.01781179
   0.33641320  0.43157090  0.34180597
   0.53538688  0.36174208  0.21408050
   0.29341399  0.38093780  0.14790248
   0.21217368  0.10128738  0.43600414
  -0.03176861  0.17897587  0.40535981
   0.02995680  0.03387804  0.56118992
   0.46225320  0.23302300  0.78690106
   0.08242580  0.30246793  0.53417490
   0.35014718  0.45778036  0.83632675
   0.46564753  0.43819837  0.65720726
   0.25005231  0.31658163  0.68443134
   0.24406165  0.17347558 -0.12596310
   0.01806515  0.10128949  0.95019510
   0.10852311  0.57481156  0.07583248
   0.40302493  0.67376222  0.26460292
   0.11893914  0.83169181  0.02499531
   0.32743935  0.92962445  0.33142537
   0.41410968  0.89159246  0.15321903
   0.18487072  0.78918832  0.20461196
   0.32432015  0.66565915  0.43705668
   0.09018122  0.57754825  0.39793692
   0.19553017  0.53341802  0.56582665
   0.37673202  0.70370763  0.75564239
   0.12510838  0.79420506  0.52294685
   0.39667114  0.97277217  0.80802751
   0.47358651  0.88490621  0.63302790
   0.19434112  0.92046618  0.68705834
   0.31038767  0.66315410 -0.04456253
   0.05130145  0.65723687  0.90042849
   0.61142274  0.03678284  0.09963645
   0.84466110  0.18599738  0.24655832
   0.59595819  0.28286693  0.04566489
   0.87616707  0.44111425  0.35626807
   0.03070451  0.36188967  0.19214383
   0.77874972  0.40523019  0.13204314
   0.71132113  0.16306744  0.40481430
   0.46671727  0.11117396  0.43701703
   0.66508722  0.07264411  0.58051453
   0.87201806  0.21021763  0.79451419
   0.58203888  0.32276585  0.51728074
   0.88585494  0.46604234  0.85478115
   1.01353906  0.45127872  0.68469774
   0.72772144  0.40514488  0.69063864
   0.75209576  0.13032624  0.94302933
   0.48809972  0.08002003  0.94672148
   0.57005369  0.54112286  0.06650676
   0.88051344  0.69001463  0.29778561
   0.58525203  0.78984630  0.02692327
   0.87107635  0.95965685  0.32026205
   0.92661135  0.87714999  0.14600684
   0.68318220  0.82813911  0.20202346
   0.82184513  0.65446957  0.46794143
   0.57261047  0.55334810  0.38509653
   0.63200305  0.59533196  0.56468564
   0.82117961  0.71144626  0.80227035
   0.58991700  0.81722179  0.43094147
   0.91876539  0.95049386  0.83722193
   0.93929876  0.83825416  0.66104282
   0.70655394  0.93211968  0.72401914
   0.79543814  0.63814906  0.97774859
   0.55081452  0.61347109  0.88054656
   0.70318666  0.82396653  0.56221460
   0.50674644  0.83524702  0.45959939
   0.90000907  0.20517365  0.08466720
   0.92354219  0.36836648  0.40096139
   0.34279336  0.11422530  0.67560453
   0.28212640  0.71129869  0.73625772
   0.19739441  1.11407865  0.17027528
   0.25274680  1.08761068  0.04137397
   0.67515373  0.34817753  0.86851477
   0.92751636  0.42207705  0.66816223
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962653    0.530928   -0.230648
    -0.000000    9.960537   -0.078868
    -0.000000    0.000000   13.899019
   Si   O    H 
    32    64    10
Direct configuration=  2181
   0.15617763  0.17439785 -0.02444829
   0.33776378  0.09035268  0.36791209
   0.13419147  0.41536958  0.11280910
   0.37795058  0.33811540  0.24949241
   0.08228160  0.14999339  0.48854404
   0.39528589  0.12250713  0.85596630
   0.14401800  0.40025904  0.62152493
   0.39312854  0.36477895  0.73978173
   0.15096515  0.68451898 -0.01238226
   0.41206191  0.58748077  0.35887137
   0.09128291  0.88838486  0.13122067
   0.33725155  0.82189230  0.23761278
   0.18270042  0.64818625  0.47941471
   0.38602788  0.61107370  0.85546312
   0.06991361  0.89704310  0.61150670
   0.34969645  0.96874875  0.69601397
   0.61563212  0.13841491  1.00204435
   0.84620156  0.11760864  0.34964737
   0.61603498  0.40637679  0.12497659
   0.89082931  0.28780790  0.16407281
   0.60945592  0.15743512  0.48843497
   0.88720157  0.09978631  0.87795420
   0.60954551  0.43334617  0.59916460
   0.79269082  0.36005324  0.79754680
   0.63191683  0.64205691 -0.01815619
   0.92141859  0.59198466  0.38832983
   0.57765282  0.88626978  0.11841718
   0.83943863  0.84024015  0.24513280
   0.65128135  0.66261606  0.46004898
   0.89086963  0.62599200  0.88727798
   0.63032888  0.92492850  0.61923047
   0.84665440  0.86059735  0.75605030
   0.12184553  0.04733637  0.17405203
   0.32984876  0.17958802  0.26639585
   0.12017665  0.31967267  0.01965027
   0.33614542  0.43205135  0.34243901
   0.53412703  0.36138854  0.21451444
   0.29239816  0.38286377  0.14992845
   0.21148488  0.10084429  0.43610885
  -0.03231178  0.17866909  0.40506270
   0.03028569  0.03316751  0.56132774
   0.46388137  0.23191542  0.78724502
   0.08172511  0.30193772  0.53347702
   0.35175474  0.45690262  0.83735405
   0.46684284  0.43605321  0.65635448
   0.25187799  0.31586430  0.68565983
   0.24221609  0.17371512 -0.12573852
   0.01731314  0.10070810  0.94896608
   0.10600626  0.57366948  0.07609158
   0.40540536  0.67493095  0.26428872
   0.11911965  0.83216606  0.02642346
   0.32791812  0.92954156  0.33214360
   0.41689768  0.89159652  0.15333540
   0.18605952  0.78792524  0.20528559
   0.32577117  0.66595531  0.43637725
   0.09035606  0.57783418  0.39893604
   0.19689629  0.53487251  0.56492552
   0.37472941  0.70385961  0.75648613
   0.12357192  0.79296704  0.52401421
   0.39730953  0.97308340  0.80758480
   0.47292601  0.88288066  0.63262125
   0.19404253  0.91950533  0.68566744
   0.31101314  0.66156134 -0.04455696
   0.05347892  0.65610819  0.90174986
   0.61168286  0.03617689  0.10022313
   0.84460370  0.18717571  0.24556641
   0.59545627  0.28386142  0.04577467
   0.87510433  0.44171040  0.35583912
   0.02822208  0.36227540  0.19240587
   0.77764397  0.40549704  0.13229397
   0.71005626  0.16524382  0.40505877
   0.46516036  0.11168661  0.43625784
   0.66394695  0.07323657  0.58039870
   0.87266922  0.21135690  0.79464485
   0.58196132  0.32112395  0.51675327
   0.88569846  0.46686338  0.85449780
   1.01315371  0.45281375  0.68588597
   0.72801311  0.40740000  0.69031546
   0.75197314  0.13005521  0.94210804
   0.48668687  0.08092890  0.94671424
   0.56980300  0.54175513  0.06631243
   0.88052428  0.69069968  0.29713859
   0.58563904  0.78970884  0.02666201
   0.86838481  0.95816217  0.32126453
   0.92810736  0.87703131  0.14756961
   0.68413942  0.82681974  0.20145898
   0.82101258  0.65417183  0.46923171
   0.57245447  0.55405294  0.38429862
   0.63199327  0.59553038  0.56344975
   0.82020916  0.71178866  0.80061266
   0.58877864  0.81833782  0.43185090
   0.91755183  0.95072282  0.83722202
   0.93897219  0.83830707  0.66084101
   0.70618189  0.93053883  0.72390319
   0.79499009  0.63834501  0.97833213
   0.54845819  0.61272968  0.88020383
   0.70070785  0.82355550  0.55769759
   0.49255562  0.84526260  0.46149676
   0.90602986  0.20157495  0.08372205
   0.91653101  0.36795225  0.39462858
   0.34270093  0.10734628  0.67213859
   0.28819811  0.71691910  0.73912596
   0.18984620  1.10525461  0.16997386
   0.25527792  1.08882872  0.04107775
   0.67941022  0.33670526  0.87049108
   0.92587047  0.41949332  0.66757660
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963391    0.529908   -0.232134
    -0.000000    9.961256   -0.079555
    -0.000000    0.000000   13.898129
   Si   O    H 
    32    64    10
Direct configuration=  2182
   0.15467125  0.17277664 -0.02479593
   0.33735579  0.08929987  0.36835011
   0.13453430  0.41523279  0.11349727
   0.37763565  0.33795799  0.24862565
   0.08197002  0.15036003  0.48860994
   0.39332477  0.12187363  0.85697431
   0.14467011  0.40022591  0.62127102
   0.39309629  0.36492465  0.74134020
   0.15127481  0.68397536 -0.01175261
   0.41077861  0.58658222  0.35839845
   0.09164479  0.89005179  0.13072691
   0.33773072  0.82194429  0.23795478
   0.18317097  0.64773625  0.47938758
   0.38669428  0.61138721  0.85498393
   0.06870000  0.89599706  0.61057573
   0.35067031  0.96854272  0.69656371
   0.61439183  0.13765331  1.00352591
   0.84695528  0.11678593  0.34867401
   0.61533768  0.40605421  0.12553851
   0.89153886  0.28720876  0.16346809
   0.60927819  0.15906843  0.48860694
   0.88712420  0.09696050  0.87822299
   0.60941355  0.43404805  0.59885238
   0.79244588  0.35942779  0.79677983
   0.63070912  0.64236113 -0.01832706
   0.92014630  0.59178540  0.38911269
   0.57763324  0.88601038  0.11826230
   0.83813656  0.83976921  0.24512396
   0.65090976  0.66182402  0.46054917
   0.89026072  0.62480888  0.88740965
   0.63170001  0.92443786  0.61833718
   0.84539589  0.86134627  0.75513379
   0.12192197  0.04541767  0.17370812
   0.32973078  0.17941680  0.26625983
   0.12098724  0.31964610  0.02184420
   0.33604399  0.43310426  0.34361167
   0.53333137  0.36148369  0.21528481
   0.29079046  0.38400386  0.15193988
   0.21094530  0.10051536  0.43619736
  -0.03213685  0.17777330  0.40541091
   0.03088402  0.03253923  0.56046460
   0.46499621  0.23150574  0.78727357
   0.07994376  0.30189664  0.53253325
   0.35366002  0.45587874  0.83751328
   0.46811930  0.43374909  0.65568185
   0.25385319  0.31536192  0.68603855
   0.23946211  0.17443970 -0.12549365
   0.01639720  0.10011091  0.94817744
   0.10402783  0.57307569  0.07630645
   0.40700287  0.67533522  0.26335951
   0.11920698  0.83347661  0.02762739
   0.32984058  0.92943269  0.33285824
   0.42057193  0.89218061  0.15324493
   0.18631163  0.78687816  0.20514202
   0.32778142  0.66620836  0.43586039
   0.08967111  0.57803455  0.40051085
   0.19804603  0.53619235  0.56363424
   0.37389105  0.70330627  0.75836226
   0.12278150  0.79208670  0.52516249
   0.39831808  0.97231451  0.80713658
   0.47258332  0.88170642  0.63259205
   0.19426977  0.91885187  0.68477895
   0.31067369  0.66020369 -0.04499421
   0.05472318  0.65454998  0.90244200
   0.61201169  0.03627868  0.10092140
   0.84460281  0.18916410  0.24447671
   0.59441249  0.28568528  0.04549849
   0.87499922  0.44208101  0.35492922
   0.02597884  0.36291243  0.19256566
   0.77671377  0.40545432  0.13273130
   0.71012624  0.16647351  0.40468458
   0.46486136  0.11259070  0.43609489
   0.66253059  0.07450891  0.58001479
   0.87297322  0.21264491  0.79526838
   0.58266394  0.31918257  0.51639298
   0.88464878  0.46825533  0.85446513
   1.01187187  0.45458367  0.68672408
   0.72880940  0.40959339  0.68928116
   0.75119314  0.12899786  0.94160349
   0.48605658  0.08231043  0.94657474
   0.57001003  0.54252550  0.06625058
   0.88028271  0.69174698  0.29641112
   0.58642496  0.78848086  0.02664877
   0.86580977  0.95676132  0.32224593
   0.92952571  0.87701478  0.14913496
   0.68569017  0.82499790  0.20132937
   0.82034852  0.65399381  0.47077811
   0.57270830  0.55470291  0.38294100
   0.63149224  0.59506535  0.56303639
   0.81940135  0.71232914  0.79858972
   0.58753340  0.81886427  0.43365477
   0.91551285  0.95038687  0.83727862
   0.93853153  0.83841435  0.66101748
   0.70604333  0.92953839  0.72340847
   0.79509531  0.63859593  0.97909045
   0.54569946  0.61176051  0.88012596
   0.70165472  0.83159022  0.55568317
   0.48832598  0.84897739  0.45998225
   0.91244142  0.19364546  0.08014460
   0.91124464  0.36841512  0.38887601
   0.34553949  0.10422131  0.66831802
   0.27012561  0.72544591  0.73545340
   0.19465917  1.10498981  0.16829688
   0.25277001  1.09481285  0.03946751
   0.68349699  0.32952871  0.86740006
   0.92550087  0.41475401  0.66455872
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964248    0.528681   -0.233643
    -0.000000    9.962311   -0.080048
    -0.000000    0.000000   13.897923
   Si   O    H 
    32    64    10
Direct configuration=  2183
   0.15274989  0.17074874 -0.02520044
   0.33752376  0.08785056  0.36878068
   0.13463480  0.41552465  0.11403804
   0.37721389  0.33812687  0.24791218
   0.08149612  0.15026546  0.48883852
   0.39158328  0.12174064  0.85794769
   0.14533480  0.40010060  0.62082710
   0.39272930  0.36521849  0.74232229
   0.15154387  0.68322392 -0.01114466
   0.40955906  0.58553564  0.35786129
   0.09170127  0.89156278  0.13034139
   0.33817813  0.82277123  0.23810993
   0.18342873  0.64774208  0.47964400
   0.38723904  0.61142168  0.85480127
   0.06752352  0.89452907  0.61020998
   0.35153495  0.96810203  0.69718887
   0.61337419  0.13636982  1.00497391
   0.84812787  0.11591254  0.34792917
   0.61521805  0.40555673  0.12538432
   0.89267732  0.28691783  0.16235066
   0.60917623  0.16060475  0.48857432
   0.88738858  0.09426180  0.87848633
   0.60972884  0.43491705  0.59856896
   0.79205183  0.35897222  0.79620483
   0.62910512  0.64230862 -0.01842637
   0.91866314  0.59113463  0.38989535
   0.57808351  0.88501708  0.11834593
   0.83748173  0.83898652  0.24529780
   0.65102813  0.66129226  0.46117807
   0.88985987  0.62350995  0.88730528
   0.63278932  0.92377807  0.61757307
   0.84441293  0.86204967  0.75438349
   0.12155955  0.04435722  0.17346838
   0.32925478  0.17846265  0.26691626
   0.12168277  0.31907564  0.02366695
   0.33554307  0.43330045  0.34474701
   0.53215819  0.36183811  0.21629354
   0.28960016  0.38472293  0.15365405
   0.21043749  0.10093760  0.43631639
  -0.03171188  0.17661531  0.40596082
   0.03103455  0.03335890  0.55928155
   0.46587411  0.23002170  0.78804384
   0.07938968  0.30248146  0.53202315
   0.35537986  0.45507845  0.83710089
   0.46953937  0.43211490  0.65542026
   0.25579999  0.31498096  0.68662954
   0.23767311  0.17491236 -0.12521396
   0.01555374  0.10036947  0.94693920
   0.10250403  0.57241281  0.07717813
   0.40922837  0.67521331  0.26249901
   0.12025464  0.83462599  0.02889360
   0.33085567  0.92925379  0.33327829
   0.42365290  0.89235234  0.15311402
   0.18682340  0.78639241  0.20541535
   0.33036973  0.66667571  0.43571654
   0.08819876  0.57765726  0.40174045
   0.19897511  0.53664928  0.56284879
   0.37250599  0.70263327  0.76010957
   0.12176803  0.79081887  0.52647695
   0.39968682  0.97110948  0.80680518
   0.47291274  0.88103090  0.63288576
   0.19496958  0.91731723  0.68423297
   0.30988396  0.65817010 -0.04556091
   0.05527255  0.65264125  0.90316725
   0.61282662  0.03669167  0.10168924
   0.84490943  0.19087383  0.24339723
   0.59275612  0.28687955  0.04538182
   0.87499367  0.44303118  0.35427867
   0.02423917  0.36377398  0.19198811
   0.77569117  0.40502421  0.13335329
   0.71082841  0.16749701  0.40389879
   0.46466057  0.11295716  0.43531100
   0.66155154  0.07518192  0.57974429
   0.87308950  0.21253923  0.79501607
   0.58362996  0.31815747  0.51635147
   0.88335679  0.46988213  0.85392759
   1.01058152  0.45602336  0.68713979
   0.72999983  0.41078530  0.68833692
   0.75042052  0.12823826  0.94188953
   0.48572378  0.08349904  0.94593299
   0.57016219  0.54317963  0.06594981
   0.88091976  0.69314051  0.29551445
   0.58732896  0.78750800  0.02665421
   0.86352245  0.95629084  0.32345646
   0.93012789  0.87703869  0.15078013
   0.68669745  0.82323431  0.20144283
   0.82046048  0.65450469  0.47170191
   0.57262934  0.55602570  0.38222125
   0.63024792  0.59464683  0.56292963
   0.81992553  0.71335720  0.79682895
   0.58575237  0.81918496  0.43518949
   0.91373929  0.94967716  0.83730683
   0.93818328  0.83849065  0.66129387
   0.70621288  0.92828482  0.72249754
   0.79435977  0.63874343  0.97987776
   0.54438085  0.60999268  0.88045125
   0.70504300  0.83515761  0.55710201
   0.49601694  0.84662287  0.45623047
   0.91871417  0.18060051  0.07838403
   0.90971840  0.35768767  0.38846880
   0.34851843  0.10241409  0.66195533
   0.26777994  0.73362667  0.73340682
   0.20401892  1.10537136  0.16746873
   0.25111169  1.09964464  0.04022176
   0.68754227  0.32951451  0.86159169
   0.92585815  0.41151859  0.66371179
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964860    0.527091   -0.235133
    -0.000000    9.963186   -0.079673
    -0.000000    0.000000   13.897657
   Si   O    H 
    32    64    10
Direct configuration=  2184
   0.15097060  0.16976299 -0.02550545
   0.33712002  0.08705733  0.36892320
   0.13471150  0.41619610  0.11434963
   0.37678741  0.33781371  0.24752140
   0.08056465  0.15044949  0.48922862
   0.39025278  0.12136516  0.85872984
   0.14615441  0.40053323  0.62034926
   0.39240836  0.36550929  0.74320968
   0.15235030  0.68195150 -0.01032347
   0.40868841  0.58432758  0.35696594
   0.09156590  0.89323063  0.13076991
   0.33812456  0.82404275  0.23839364
   0.18381346  0.64813882  0.47999229
   0.38724134  0.61148045  0.85462167
   0.06692240  0.89331247  0.60981038
   0.35195680  0.96751926  0.69735301
   0.61346773  0.13532931  1.00605800
   0.84867855  0.11509075  0.34708477
   0.61529380  0.40482324  0.12490581
   0.89315523  0.28629446  0.16058572
   0.60866246  0.16240674  0.48831665
   0.88794757  0.09255195  0.87897012
   0.60970580  0.43592245  0.59840367
   0.79191148  0.35847953  0.79600283
   0.62702033  0.64196419 -0.01879407
   0.91740273  0.59076829  0.39047338
   0.57864356  0.88440759  0.11831314
   0.83694651  0.83828198  0.24536469
   0.65097771  0.66164963  0.46167640
   0.88908577  0.62243127  0.88700278
   0.63317687  0.92295051  0.61669147
   0.84356777  0.86290504  0.75387951
   0.12149677  0.04459029  0.17262936
   0.32824821  0.17854022  0.26772787
   0.12278934  0.31766322  0.02476409
   0.33555087  0.43357209  0.34622853
   0.53125277  0.36290752  0.21763982
   0.28787794  0.38511185  0.15467723
   0.20996199  0.10125587  0.43575968
  -0.03151266  0.17607170  0.40719830
   0.03120104  0.03500327  0.55837843
   0.46686065  0.22882620  0.78856745
   0.07865232  0.30346516  0.53176987
   0.35669861  0.45488488  0.83708462
   0.47071378  0.43019248  0.65523820
   0.25741063  0.31524758  0.68712231
   0.23626159  0.17563560 -0.12481832
   0.01501363  0.10111256  0.94604292
   0.10153454  0.57233368  0.07850880
   0.41133962  0.67514763  0.26156595
   0.12116813  0.83609808  0.02970578
   0.33183072  0.92941399  0.33326072
   0.42673766  0.89167545  0.15282461
   0.18689830  0.78600719  0.20536094
   0.33224605  0.66837542  0.43614826
   0.08735765  0.57729459  0.40311900
   0.20062828  0.53675017  0.56219179
   0.36935514  0.70214114  0.76154909
   0.12053199  0.78932260  0.52697581
   0.40044596  0.96978376  0.80646608
   0.47261004  0.88043231  0.63324048
   0.19574665  0.91616469  0.68398060
   0.30907227  0.65690333 -0.04614265
   0.05481558  0.65132895  0.90349023
   0.61321298  0.03730105  0.10232478
   0.84496973  0.19268104  0.24290065
   0.59059025  0.28800264  0.04520367
   0.87472483  0.44333020  0.35384751
   0.02342529  0.36413978  0.19147802
   0.77562748  0.40466739  0.13421982
   0.71162171  0.16857871  0.40322151
   0.46472638  0.11284977  0.43506257
   0.66130894  0.07514582  0.57987849
   0.87325993  0.21245177  0.79472606
   0.58408791  0.31832732  0.51603607
   0.88132199  0.47093126  0.85278024
   1.00939619  0.45657349  0.68734002
   0.73062128  0.41107578  0.68757118
   0.75006992  0.12778948  0.94183518
   0.48557619  0.08462120  0.94568906
   0.57025957  0.54366080  0.06588444
   0.88098135  0.69403177  0.29508283
   0.58782476  0.78680697  0.02606984
   0.86122873  0.95592703  0.32494764
   0.93076595  0.87725885  0.15238843
   0.68661009  0.82217907  0.20169377
   0.82064312  0.65485801  0.47253568
   0.57252975  0.55681702  0.38206155
   0.62847001  0.59333684  0.56338722
   0.82037039  0.71488983  0.79497702
   0.58493152  0.81796342  0.43672426
   0.91266142  0.94936517  0.83741629
   0.93875990  0.83770362  0.66187456
   0.70609974  0.92709313  0.72205626
   0.79366115  0.63880115  0.98064398
   0.54409252  0.60821342  0.88056180
   0.70952971  0.83588402  0.55929907
   0.49919215  0.84032479  0.45087200
   0.91991762  0.17410221  0.07834820
   0.90660067  0.35171213  0.38703801
   0.34714157  0.10252361  0.65617231
   0.27868342  0.73888913  0.73455330
   0.20415894  1.09968353  0.16642956
   0.24347653  1.10030867  0.03898583
   0.69234118  0.33030858  0.85610321
   0.93172124  0.41429028  0.66297069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965198    0.525780   -0.236123
    -0.000000    9.963811   -0.079329
    -0.000000    0.000000   13.897031
   Si   O    H 
    32    64    10
Direct configuration=  2185
   0.14912933  0.16996551 -0.02583479
   0.33685727  0.08616420  0.36908368
   0.13398517  0.41612049  0.11487057
   0.37580755  0.33744369  0.24720779
   0.07941127  0.15096809  0.48957482
   0.38909642  0.12111645  0.85898051
   0.14701700  0.40086075  0.62000814
   0.39206212  0.36637191  0.74418591
   0.15267514  0.68075596 -0.00954154
   0.40836418  0.58263043  0.35575300
   0.09124513  0.89481000  0.13161719
   0.33760450  0.82487039  0.23864086
   0.18456704  0.64941121  0.48056156
   0.38690456  0.61157149  0.85479666
   0.06670706  0.89258079  0.60963102
   0.35226417  0.96662249  0.69721966
   0.61369286  0.13433723  1.00684858
   0.84869288  0.11411482  0.34618758
   0.61566311  0.40409649  0.12423968
   0.89323319  0.28567289  0.15907869
   0.60720746  0.16428471  0.48771853
   0.88856033  0.09153982  0.87947067
   0.60976784  0.43739354  0.59809591
   0.79194816  0.35833970  0.79549455
   0.62539784  0.64224743 -0.01875016
   0.91670436  0.59050379  0.39070151
   0.57961714  0.88300925  0.11837831
   0.83665648  0.83738521  0.24536795
   0.65060839  0.66182249  0.46210092
   0.88865757  0.62181838  0.88637907
   0.63304437  0.92232605  0.61593108
   0.84377219  0.86348685  0.75295640
   0.12098686  0.04544258  0.17123956
   0.32796119  0.17908306  0.26842784
   0.12346114  0.31665131  0.02517417
   0.33533871  0.43428708  0.34755272
   0.52988788  0.36463166  0.21874866
   0.28565123  0.38526591  0.15558487
   0.20949314  0.10126296  0.43505343
  -0.03197044  0.17555773  0.40811395
   0.03149913  0.03623685  0.55740932
   0.46706706  0.22812370  0.78949606
   0.07758278  0.30490436  0.53176609
   0.35787191  0.45570120  0.83692364
   0.47181489  0.42912319  0.65538397
   0.25865333  0.31576965  0.68761124
   0.23524853  0.17590672 -0.12509009
   0.01427084  0.10204873  0.94554368
   0.10111838  0.57232355  0.07986301
   0.41276342  0.67510087  0.26040671
   0.12234049  0.83795462  0.03020795
   0.33264221  0.92929646  0.33325359
   0.42880509  0.89151959  0.15279946
   0.18596987  0.78651105  0.20533798
   0.33370683  0.67099750  0.43709944
   0.08610854  0.57777948  0.40437996
   0.20207496  0.53613383  0.56181568
   0.36588819  0.70199763  0.76247098
   0.11933029  0.78719609  0.52718864
   0.40081658  0.96898582  0.80606042
   0.47323203  0.87921110  0.63343198
   0.19627567  0.91543793  0.68382505
   0.30893734  0.65636762 -0.04655759
   0.05418251  0.64948211  0.90309495
   0.61420619  0.03789845  0.10258471
   0.84472300  0.19389997  0.24246308
   0.58934929  0.28904170  0.04511190
   0.87476754  0.44331142  0.35360515
   0.02352968  0.36442330  0.19094323
   0.77531878  0.40402250  0.13496943
   0.71200814  0.16978286  0.40224229
   0.46473765  0.11289317  0.43491947
   0.66130789  0.07549720  0.57997072
   0.87231944  0.21278555  0.79388919
   0.58427558  0.31916627  0.51609056
   0.87967340  0.47179182  0.85144183
   1.00970325  0.45675959  0.68706329
   0.73126025  0.41090244  0.68722181
   0.74999094  0.12744107  0.94182501
   0.48619700  0.08554151  0.94627204
   0.57006227  0.54479887  0.06589961
   0.88097555  0.69517039  0.29476003
   0.58878850  0.78571454  0.02531723
   0.85915393  0.95565735  0.32585600
   0.93179616  0.87772023  0.15333085
   0.68634536  0.82111320  0.20200309
   0.82040713  0.65505938  0.47331054
   0.57228203  0.55810760  0.38231838
   0.62627279  0.59234414  0.56404313
   0.82170081  0.71546638  0.79331716
   0.58480743  0.81632935  0.43798078
   0.91155053  0.94845160  0.83691824
   0.93939175  0.83746838  0.66276797
   0.70457256  0.92610738  0.72226989
   0.79235444  0.63881979  0.98120249
   0.54414572  0.60666065  0.88133302
   0.71823197  0.83333672  0.55949101
   0.48533479  0.83806765  0.44986306
   0.92181845  0.17347500  0.08095705
   0.90201040  0.35655305  0.38114363
   0.34479332  0.10133860  0.64854966
   0.29716956  0.73729276  0.73763955
   0.19812950  1.09236665  0.16683511
   0.23647244  1.09675156  0.03876907
   0.68815777  0.33416990  0.85552254
   0.93050694  0.41333092  0.66169273
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965383    0.524077   -0.237399
    -0.000000    9.964498   -0.079121
    -0.000000    0.000000   13.896709
   Si   O    H 
    32    64    10
Direct configuration=  2186
   0.14740079  0.17060403 -0.02616885
   0.33703826  0.08508146  0.36909200
   0.13326596  0.41623148  0.11578914
   0.37496080  0.33728204  0.24719726
   0.07822296  0.15184422  0.49012723
   0.38852506  0.12166945  0.85900920
   0.14735074  0.40209843  0.61950962
   0.39151156  0.36781068  0.74507011
   0.15239836  0.68003600 -0.00895798
   0.40874099  0.58042006  0.35463629
   0.09078154  0.89623834  0.13290966
   0.33672990  0.82580836  0.23908150
   0.18505236  0.65063054  0.48124924
   0.38696739  0.61185958  0.85548454
   0.06626363  0.89238363  0.60921291
   0.35274595  0.96524406  0.69725322
   0.61439010  0.13407222  1.00743042
   0.84814893  0.11378443  0.34542576
   0.61527347  0.40421790  0.12337125
   0.89311811  0.28480884  0.15686648
   0.60555092  0.16618894  0.48709253
   0.88893062  0.09077864  0.87959368
   0.60985273  0.43858019  0.59804363
   0.79206360  0.35864955  0.79477498
   0.62418399  0.64175738 -0.01861616
   0.91632236  0.59090667  0.39036117
   0.58036860  0.88232750  0.11881750
   0.83639859  0.83601350  0.24548675
   0.65039916  0.66227533  0.46211976
   0.88817306  0.62114382  0.88567482
   0.63230981  0.92215722  0.61558293
   0.84431476  0.86343018  0.75226691
   0.12017525  0.04603163  0.16965604
   0.32815505  0.18011438  0.26956279
   0.12461504  0.31594038  0.02522862
   0.33594272  0.43470992  0.34779629
   0.52898139  0.36595172  0.21989040
   0.28419830  0.38566562  0.15637527
   0.20991636  0.10183882  0.43397672
  -0.03251038  0.17512945  0.40886910
   0.03167512  0.03781505  0.55677413
   0.46671786  0.22689742  0.79044813
   0.07647802  0.30648141  0.53150653
   0.35906488  0.45624881  0.83683622
   0.47251863  0.42865214  0.65534996
   0.25897568  0.31629105  0.68785905
   0.23392302  0.17620688 -0.12498605
   0.01390257  0.10266444  0.94511325
   0.10141458  0.57184057  0.08126444
   0.41397849  0.67531030  0.25957907
   0.12394953  0.83863855  0.03000129
   0.33324140  0.92872304  0.33355252
   0.42923171  0.89083830  0.15293001
   0.18538443  0.78832860  0.20574274
   0.33475094  0.67384935  0.43813397
   0.08483948  0.57842321  0.40584729
   0.20275017  0.53547557  0.56175936
   0.36538982  0.70188441  0.76431097
   0.11807317  0.78505929  0.52706506
   0.40124873  0.96761310  0.80556624
   0.47397207  0.87810048  0.63382783
   0.19657017  0.91554902  0.68359651
   0.30801998  0.65652273 -0.04709619
   0.05290871  0.64770767  0.90296340
   0.61557465  0.03900094  0.10257266
   0.84474683  0.19492968  0.24272086
   0.58804650  0.28972245  0.04486459
   0.87491345  0.44382134  0.35357568
   0.02327135  0.36547088  0.19105781
   0.77553080  0.40340566  0.13556399
   0.71314431  0.17015583  0.40146776
   0.46454778  0.11284901  0.43447262
   0.66143864  0.07666890  0.57969697
   0.87096066  0.21240266  0.79359390
   0.58479109  0.31957214  0.51654805
   0.87838790  0.47313366  0.84984305
   1.01040766  0.45687651  0.68614172
   0.73154981  0.41028090  0.68638673
   0.74968845  0.12706489  0.94152691
   0.48682136  0.08629453  0.94686401
   0.56932487  0.54525790  0.06631182
   0.88166267  0.69509463  0.29500349
   0.59027892  0.78469697  0.02477007
   0.85752052  0.95534049  0.32714487
   0.93313462  0.87801939  0.15452560
   0.68535844  0.81970174  0.20260997
   0.81973943  0.65540578  0.47390723
   0.57237701  0.55910253  0.38289031
   0.62392085  0.59092662  0.56510347
   0.82315560  0.71567555  0.79197678
   0.58412865  0.81501369  0.43891335
   0.91063558  0.94789186  0.83617787
   0.94057543  0.83718699  0.66341903
   0.70284976  0.92509448  0.72255380
   0.79118114  0.63883538  0.98182211
   0.54365905  0.60583192  0.88216972
   0.72683466  0.82905782  0.56109230
   0.48283895  0.83034251  0.44974795
   0.91791027  0.17914953  0.08572722
   0.90039271  0.35707607  0.37263472
   0.34173961  0.10048593  0.64399557
   0.28042131  0.75235932  0.72792822
   0.20195709  1.09394850  0.16653607
   0.23435393  1.09041592  0.04097367
   0.67852701  0.33594397  0.85622757
   0.92641720  0.41076708  0.66054485
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965377    0.522928   -0.238470
    -0.000000    9.965255   -0.078792
    -0.000000    0.000000   13.896369
   Si   O    H 
    32    64    10
Direct configuration=  2187
   0.14662113  0.17175176 -0.02639133
   0.33721525  0.08442392  0.36889715
   0.13242713  0.41665794  0.11676392
   0.37446321  0.33711471  0.24741600
   0.07753425  0.15298499  0.49077364
   0.38824671  0.12255844  0.85926692
   0.14772367  0.40345311  0.61876904
   0.39146638  0.36875527  0.74597270
   0.15267256  0.67890942 -0.00830599
   0.40952978  0.57878003  0.35374417
   0.09011239  0.89806662  0.13438710
   0.33624162  0.82678917  0.23945434
   0.18560801  0.65187223  0.48208547
   0.38669545  0.61229338  0.85584297
   0.06629468  0.89219134  0.60905743
   0.35347063  0.96396423  0.69750369
   0.61452610  0.13343775  1.00786392
   0.84707938  0.11371264  0.34464138
   0.61469208  0.40515558  0.12254578
   0.89308073  0.28330149  0.15487680
   0.60463080  0.16809229  0.48631183
   0.88852081  0.09056476  0.87915641
   0.61006037  0.43945914  0.59811357
   0.79222082  0.35848037  0.79395955
   0.62316648  0.64138719 -0.01836353
   0.91633219  0.59107192  0.38965335
   0.58147989  0.88232005  0.11928490
   0.83652616  0.83548838  0.24575597
   0.65019405  0.66277889  0.46236137
   0.88771329  0.62093149  0.88455398
   0.63128786  0.92241318  0.61517795
   0.84474541  0.86325691  0.75156388
   0.11854540  0.04703902  0.16887911
   0.32805839  0.18156826  0.27074096
   0.12528489  0.31533085  0.02548512
   0.33664434  0.43499677  0.34777328
   0.52860352  0.36735518  0.22056949
   0.28243432  0.38676049  0.15703990
   0.20996084  0.10167502  0.43313692
  -0.03263207  0.17553919  0.40954532
   0.03242109  0.03830840  0.55635802
   0.46651840  0.22467897  0.79061963
   0.07572724  0.30798941  0.53125432
   0.35989241  0.45660743  0.83708158
   0.47336399  0.42807922  0.65568693
   0.25833666  0.31648391  0.68804954
   0.23254359  0.17603605 -0.12539509
   0.01316731  0.10277451  0.94482585
   0.10094311  0.57239031  0.08206582
   0.41467041  0.67536575  0.25877975
   0.12672421  0.83913948  0.02956764
   0.33309965  0.92805765  0.33373359
   0.42928718  0.88945652  0.15346025
   0.18447438  0.79023013  0.20592487
   0.33516055  0.67668602  0.43867147
   0.08313535  0.57937161  0.40640266
   0.20292251  0.53445368  0.56154899
   0.36439579  0.70327405  0.76510547
   0.11786569  0.78300760  0.52697892
   0.40203368  0.96706438  0.80534671
   0.47512266  0.87692454  0.63422791
   0.19725770  0.91584615  0.68342232
   0.30610916  0.65699565 -0.04734553
   0.05059560  0.64604495  0.90230027
   0.61665178  0.03963493  0.10264960
   0.84482334  0.19537239  0.24352487
   0.58693652  0.28993732  0.04373242
   0.87462211  0.44507129  0.35352927
   0.02329872  0.36703392  0.19192754
   0.77535044  0.40344138  0.13681176
   0.71442672  0.16944537  0.40054472
   0.46475682  0.11325171  0.43461700
   0.66127805  0.07717621  0.57978041
   0.87043500  0.21170659  0.79371654
   0.58545950  0.31959547  0.51675103
   0.87727931  0.47360886  0.84838744
   1.01063079  0.45564059  0.68487228
   0.73192628  0.40969947  0.68504664
   0.74947885  0.12626025  0.94124582
   0.48743331  0.08752527  0.94726520
   0.56873998  0.54557033  0.06657134
   0.88162501  0.69505885  0.29513821
   0.59076995  0.78369727  0.02427111
   0.85599028  0.95441031  0.32822221
   0.93368786  0.87870178  0.15569621
   0.68393530  0.81839411  0.20320588
   0.81832070  0.65544310  0.47445682
   0.57269525  0.55989524  0.38405618
   0.62198263  0.58918594  0.56604338
   0.82470396  0.71541743  0.79105365
   0.58297221  0.81417519  0.43966465
   0.90993595  0.94729638  0.83543905
   0.94173141  0.83663022  0.66389763
   0.70055050  0.92393935  0.72296569
   0.79082487  0.63872378  0.98260245
   0.54308878  0.60518995  0.88314141
   0.73383459  0.82478904  0.56347840
   0.48867723  0.82449132  0.44748636
   0.91639332  0.18587138  0.08684247
   0.90113847  0.34951040  0.36894588
   0.33727208  0.09839101  0.64000671
   0.27620104  0.75669106  0.72592073
   0.20718719  1.09330482  0.16784266
   0.23588930  1.08370419  0.04315182
   0.67080717  0.33476949  0.85378385
   0.92812014  0.41591903  0.65924807
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965032    0.521627   -0.238880
    -0.000000    9.965430   -0.078451
    -0.000000    0.000000   13.896152
   Si   O    H 
    32    64    10
Direct configuration=  2188
   0.14692605  0.17309262 -0.02614431
   0.33755658  0.08368930  0.36887084
   0.13109278  0.41741967  0.11775958
   0.37393928  0.33651893  0.24773444
   0.07749312  0.15398307  0.49115853
   0.38834251  0.12345776  0.85929627
   0.14800282  0.40502652  0.61798555
   0.39169204  0.36885521  0.74650458
   0.15243611  0.67790502 -0.00789366
   0.41076345  0.57767568  0.35293881
   0.08932179  0.89897011  0.13543409
   0.33644557  0.82802297  0.23964294
   0.18596648  0.65289205  0.48300147
   0.38612558  0.61308625  0.85690408
   0.06682007  0.89181491  0.60925021
   0.35432636  0.96292210  0.69706027
   0.61480539  0.13342116  1.00829479
   0.84644043  0.11371736  0.34391718
   0.61426761  0.40628303  0.12170637
   0.89328152  0.28228825  0.15349261
   0.60359399  0.16958134  0.48535697
   0.88678958  0.09026849  0.87841937
   0.61052639  0.43980036  0.59819738
   0.79171024  0.35892186  0.79366636
   0.62221353  0.64100486 -0.01794559
   0.91611113  0.59112079  0.38882103
   0.58217573  0.88230701  0.11967202
   0.83678470  0.83547482  0.24617465
   0.64969579  0.66342907  0.46294886
   0.88727285  0.62096036  0.88405430
   0.63021220  0.92247090  0.61437831
   0.84506907  0.86340708  0.75085878
   0.11766562  0.04921146  0.16886919
   0.32884058  0.18195853  0.27195735
   0.12591530  0.31466188  0.02520619
   0.33746923  0.43604578  0.34736071
   0.52883403  0.36853590  0.22089534
   0.28086666  0.38837362  0.15802836
   0.21002485  0.10141540  0.43273757
  -0.03310480  0.17517806  0.40957956
   0.03312212  0.03833442  0.55645981
   0.46569394  0.22322773  0.79113280
   0.07657146  0.30940150  0.53138636
   0.36023318  0.45738080  0.83749403
   0.47389111  0.42698821  0.65643623
   0.25718859  0.31643084  0.68777481
   0.23187496  0.17557704 -0.12625114
   0.01208549  0.10297928  0.94538427
   0.10183349  0.57347997  0.08266478
   0.41522238  0.67622101  0.25742874
   0.13000783  0.83909667  0.02911996
   0.33353077  0.92743731  0.33316479
   0.42924032  0.88804443  0.15442403
   0.18434291  0.79245526  0.20590040
   0.33584076  0.67878798  0.43924389
   0.08100249  0.58071057  0.40730498
   0.20387668  0.53340478  0.56125339
   0.36271780  0.70463011  0.76520001
   0.11717994  0.78105310  0.52700997
   0.40189181  0.96756621  0.80620807
   0.47664068  0.87630921  0.63475430
   0.19813157  0.91539598  0.68323608
   0.30277829  0.65799116 -0.04714533
   0.04755829  0.64525194  0.90154513
   0.61755790  0.04061986  0.10262988
   0.84515126  0.19575198  0.24451770
   0.58648594  0.28980168  0.04278581
   0.87433901  0.44563342  0.35372133
   0.02306991  0.36837635  0.19284428
   0.77469033  0.40315644  0.13838474
   0.71567814  0.16873661  0.39918882
   0.46529127  0.11265736  0.43513609
   0.66079541  0.07771159  0.57966353
   0.87098120  0.21018533  0.79385704
   0.58733152  0.31986986  0.51730998
   0.87664064  0.47294995  0.84741921
   1.01198245  0.45394835  0.68414674
   0.73275853  0.40908781  0.68295272
   0.75029403  0.12579903  0.94074468
   0.48724586  0.08833626  0.94784260
   0.56893875  0.54561991  0.06719732
   0.88159184  0.69442114  0.29471157
   0.59175361  0.78424092  0.02358952
   0.85421621  0.95341731  0.32945968
   0.93393807  0.87959643  0.15686209
   0.68258551  0.81707544  0.20428906
   0.81750560  0.65594010  0.47407053
   0.57285197  0.56093537  0.38527119
   0.61974081  0.58786649  0.56700964
   0.82587186  0.71499576  0.79038012
   0.58187738  0.81264000  0.43982247
   0.90964868  0.94652697  0.83496341
   0.94388596  0.83600066  0.66433846
   0.69761410  0.92289250  0.72318842
   0.79128469  0.63823392  0.98282677
   0.54190777  0.60524875  0.88474232
   0.73363924  0.82560195  0.56795472
   0.48780734  0.82050198  0.44757954
   0.91654585  0.18999374  0.08240426
   0.90294126  0.35123683  0.36510416
   0.33257273  0.09252684  0.63560706
   0.28112712  0.75551030  0.72958645
   0.20701264  1.09169484  0.17050162
   0.23156961  1.07923442  0.04134698
   0.66403234  0.33489901  0.85094544
   0.92928989  0.42152374  0.65758554
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964468    0.520372   -0.239303
    -0.000000    9.966044   -0.077978
    -0.000000    0.000000   13.895728
   Si   O    H 
    32    64    10
Direct configuration=  2189
   0.14814963  0.17410790 -0.02594422
   0.33760834  0.08320148  0.36854369
   0.12992213  0.41786187  0.11833999
   0.37313736  0.33615750  0.24798423
   0.07753128  0.15523679  0.49142075
   0.38802598  0.12401250  0.85879179
   0.14843763  0.40621520  0.61749097
   0.39254839  0.36900208  0.74694322
   0.15185426  0.67739713 -0.00733407
   0.41205962  0.57736825  0.35249915
   0.08821958  0.89982975  0.13655581
   0.33642159  0.82900023  0.23958094
   0.18622943  0.65347864  0.48390210
   0.38562712  0.61430674  0.85743213
   0.06764998  0.89160499  0.60921694
   0.35562139  0.96221242  0.69615678
   0.61533003  0.13398084  1.00871682
   0.84633684  0.11366461  0.34309423
   0.61425666  0.40740108  0.12091320
   0.89376239  0.28142026  0.15306065
   0.60273198  0.17031717  0.48455757
   0.88513796  0.09094730  0.87766917
   0.61047175  0.43966158  0.59834706
   0.79070061  0.35851059  0.79320259
   0.62175760  0.64024483 -0.01746722
   0.91616475  0.59115180  0.38734465
   0.58373020  0.88181959  0.11995982
   0.83746816  0.83566189  0.24643230
   0.64911144  0.66423470  0.46415033
   0.88674109  0.62108494  0.88324109
   0.62929169  0.92289020  0.61386607
   0.84488192  0.86328860  0.75057730
   0.11697102  0.05155256  0.16889443
   0.33033804  0.18213802  0.27279210
   0.12632027  0.31482540  0.02508053
   0.33834363  0.43676697  0.34680874
   0.52969058  0.36934010  0.22124571
   0.28006852  0.38911068  0.15897997
   0.21011177  0.10142410  0.43294755
  -0.03411938  0.17440818  0.40934450
   0.03361999  0.03811688  0.55780228
   0.46412633  0.22296987  0.79098088
   0.07779462  0.31082082  0.53131269
   0.36038351  0.45864752  0.83814486
   0.47499452  0.42533400  0.65755935
   0.25594087  0.31691533  0.68718763
   0.23207573  0.17571799 -0.12736448
   0.01163848  0.10280471  0.94624122
   0.10291716  0.57416312  0.08321993
   0.41472693  0.67738425  0.25582483
   0.13353033  0.83912267  0.02873617
   0.33373212  0.92682755  0.33263167
   0.42872084  0.88684553  0.15552154
   0.18468787  0.79447195  0.20600127
   0.33722024  0.67973482  0.43985583
   0.07880631  0.58275824  0.40878556
   0.20484353  0.53267797  0.56139036
   0.36132971  0.70594894  0.76531651
   0.11679052  0.77946048  0.52752240
   0.40195190  0.96880535  0.80673980
   0.47831396  0.87546487  0.63500515
   0.19894827  0.91422455  0.68276623
   0.29968378  0.65893167 -0.04706013
   0.04502238  0.64387747  0.90040328
   0.61899820  0.04097435  0.10316303
   0.84465994  0.19514446  0.24619338
   0.58549504  0.28987930  0.04184111
   0.87352787  0.44599088  0.35424443
   0.02258890  0.36908121  0.19335309
   0.77397916  0.40220574  0.14027004
   0.71669234  0.16839217  0.39765073
   0.46579876  0.11291896  0.43617211
   0.65939199  0.07812426  0.57935897
   0.87197790  0.20840390  0.79364262
   0.58972511  0.32095123  0.51845166
   0.87567903  0.47240042  0.84651055
   1.01332271  0.45238654  0.68312176
   0.73451153  0.40905256  0.68102897
   0.75107831  0.12556829  0.94037034
   0.48661308  0.08894395  0.94833089
   0.56936261  0.54591195  0.06730600
   0.88136881  0.69345962  0.29517438
   0.59193530  0.78610461  0.02294611
   0.85328327  0.95298182  0.33094878
   0.93379092  0.88115421  0.15764316
   0.68178560  0.81524139  0.20528685
   0.81725959  0.65699475  0.47372609
   0.57217945  0.56236767  0.38646477
   0.61694442  0.58711189  0.56826113
   0.82725289  0.71401194  0.79009049
   0.58154612  0.81117675  0.44010081
   0.90973338  0.94609423  0.83437492
   0.94600294  0.83527605  0.66474610
   0.69484428  0.92208166  0.72432451
   0.79171080  0.63824259  0.98226663
   0.54169008  0.60577624  0.88622743
   0.73236041  0.83225371  0.56901360
   0.47970975  0.82242224  0.44848515
   0.91806024  0.19290959  0.07513700
   0.91010389  0.35600774  0.36246206
   0.32845038  0.08537898  0.63407509
   0.29217110  0.74388039  0.73827375
   0.20542678  1.08910572  0.17102582
   0.22802830  1.08115240  0.03445586
   0.65924428  0.33900251  0.84732886
   0.92924373  0.42771702  0.65491327
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963620    0.518474   -0.239875
    -0.000000    9.966254   -0.077371
    -0.000000    0.000000   13.895359
   Si   O    H 
    32    64    10
Direct configuration=  2190
   0.14930035  0.17429840 -0.02591029
   0.33770364  0.08241175  0.36812650
   0.12913009  0.41836252  0.11869271
   0.37325379  0.33637666  0.24846354
   0.07784626  0.15666745  0.49160330
   0.38776744  0.12415027  0.85811133
   0.14843072  0.40720205  0.61717911
   0.39350745  0.36898696  0.74708877
   0.15080507  0.67616054 -0.00635502
   0.41347454  0.57769702  0.35195329
   0.08746904  0.90042236  0.13750396
   0.33639958  0.83031059  0.23972932
   0.18694184  0.65375570  0.48478322
   0.38554033  0.61559084  0.85770026
   0.06912696  0.89151395  0.60882510
   0.35702949  0.96132509  0.69470343
   0.61585658  0.13411534  1.00900074
   0.84630942  0.11387684  0.34231808
   0.61331035  0.40825913  0.12016956
   0.89409194  0.28096291  0.15331711
   0.60219027  0.17117625  0.48375886
   0.88324022  0.09241886  0.87675654
   0.61070983  0.43907900  0.59887649
   0.78950878  0.35860141  0.79205597
   0.62201234  0.63916103 -0.01678810
   0.91660962  0.59143628  0.38555073
   0.58490733  0.88167195  0.12031881
   0.83775430  0.83602853  0.24642939
   0.64865878  0.66516155  0.46515355
   0.88630036  0.62152528  0.88266476
   0.62872944  0.92305746  0.61339605
   0.84443292  0.86254742  0.75037040
   0.11653766  0.05342430  0.16972147
   0.33250048  0.18247924  0.27410910
   0.12660710  0.31584340  0.02452140
   0.33960435  0.43830208  0.34583209
   0.52998907  0.37049491  0.22173714
   0.27991519  0.38865704  0.15996858
   0.20942171  0.10084265  0.43326267
  -0.03617929  0.17313888  0.40923041
   0.03394474  0.03716767  0.55909287
   0.46210025  0.22293429  0.79122931
   0.07934797  0.31161491  0.53119755
   0.36044352  0.45955156  0.83914315
   0.47619848  0.42348663  0.65854361
   0.25517099  0.31719698  0.68739786
   0.23207495  0.17605111 -0.12830044
   0.01131932  0.10250342  0.94753747
   0.10336431  0.57408840  0.08330395
   0.41370564  0.67844763  0.25459893
   0.13681806  0.83916170  0.02796614
   0.33362046  0.92648903  0.33184391
   0.42905219  0.88538725  0.15615054
   0.18510999  0.79638935  0.20626755
   0.33765817  0.68086960  0.44031536
   0.07730400  0.58497541  0.41029862
   0.20548287  0.53224526  0.56156015
   0.36194155  0.70568849  0.76584736
   0.11583962  0.77904050  0.52821982
   0.40153836  0.97025573  0.80748303
   0.47926795  0.87510935  0.63566063
   0.20020334  0.91326016  0.68207234
   0.29789123  0.65986828 -0.04688966
   0.04286900  0.64242885  0.89956722
   0.62091309  0.04144457  0.10408656
   0.84337599  0.19519556  0.24757893
   0.58373314  0.29008585  0.04078721
   0.87154627  0.44741465  0.35530767
   0.02241180  0.36922313  0.19369729
   0.77371756  0.40094558  0.14236860
   0.71734528  0.16757288  0.39683873
   0.46706625  0.11240902  0.43742409
   0.65740237  0.07959454  0.57883868
   0.87308567  0.20685624  0.79309427
   0.59201094  0.32236326  0.51880624
   0.87479620  0.47086244  0.84506045
   1.01416849  0.45102407  0.68252633
   0.73691625  0.40843904  0.67920996
   0.75176851  0.12489739  0.93996032
   0.48586022  0.08981119  0.94835451
   0.57033316  0.54529768  0.06752194
   0.88175491  0.69209953  0.29586301
   0.59239933  0.78791817  0.02241859
   0.85196414  0.95199150  0.33222212
   0.93329416  0.88201275  0.15841994
   0.68150460  0.81350265  0.20610347
   0.81613261  0.65780604  0.47332104
   0.57194778  0.56313736  0.38773191
   0.61412817  0.58693000  0.56884955
   0.82917146  0.71328972  0.79047875
   0.58024367  0.80988118  0.44028174
   0.90979037  0.94519941  0.83369759
   0.94799020  0.83503506  0.66517906
   0.69211794  0.92203445  0.72472643
   0.79168564  0.63807659  0.98108830
   0.54157142  0.60701281  0.88744282
   0.72354325  0.84175307  0.56850558
   0.48011105  0.82374903  0.45242970
   0.91471570  0.19474018  0.06643370
   0.92027459  0.35673779  0.36148336
   0.32563592  0.07879942  0.63502776
   0.27426934  0.74751607  0.73753286
   0.19984114  1.08837399  0.17288630
   0.22519140  1.08229277  0.02979028
   0.66089992  0.34290617  0.84283061
   0.92220474  0.43463099  0.65192172
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963179    0.516773   -0.240385
    -0.000000    9.966040   -0.077112
    -0.000000    0.000000   13.894616
   Si   O    H 
    32    64    10
Direct configuration=  2191
   0.15023452  0.17521575 -0.02603479
   0.33757461  0.08219236  0.36786508
   0.12832522  0.41879015  0.11936072
   0.37336536  0.33670426  0.24893175
   0.07799936  0.15833448  0.49150865
   0.38730151  0.12414829  0.85768686
   0.14838302  0.40785922  0.61741832
   0.39437757  0.36863970  0.74716001
   0.15038285  0.67558274 -0.00522928
   0.41454724  0.57844190  0.35156019
   0.08752024  0.90102901  0.13806960
   0.33576550  0.83078311  0.23973242
   0.18796121  0.65311204  0.48557747
   0.38581392  0.61671815  0.85842732
   0.07107551  0.89148693  0.60801309
   0.35788029  0.96084397  0.69295501
   0.61636973  0.13416024  1.00920930
   0.84616794  0.11358501  0.34210494
   0.61222361  0.40849417  0.11929822
   0.89421262  0.28033361  0.15409749
   0.60214281  0.17135013  0.48299579
   0.88175521  0.09393422  0.87592603
   0.61098943  0.43794644  0.59968204
   0.78783733  0.35856686  0.79060533
   0.62256456  0.63826240 -0.01628884
   0.91686809  0.59206269  0.38395498
   0.58617400  0.88197360  0.12032683
   0.83797041  0.83661794  0.24653492
   0.64804630  0.66580113  0.46636383
   0.88542321  0.62223730  0.88191950
   0.62820382  0.92333713  0.61321827
   0.84403306  0.86180656  0.74972818
   0.11587669  0.05433591  0.17016021
   0.33452727  0.18211357  0.27501216
   0.12685101  0.31631011  0.02416160
   0.34106182  0.43867173  0.34463168
   0.52973408  0.37100756  0.22163678
   0.28023734  0.38900668  0.16107653
   0.20865950  0.10018535  0.43374846
  -0.03779954  0.17168544  0.40883949
   0.03435789  0.03574659  0.56086617
   0.46063961  0.22346319  0.79075108
   0.08143469  0.31209948  0.53178584
   0.35980247  0.46001200  0.83980932
   0.47683321  0.42214699  0.65963924
   0.25456863  0.31782794  0.68739953
   0.23174821  0.17604856 -0.12880395
   0.01101124  0.10169463  0.94857267
   0.10421921  0.57478254  0.08363806
   0.41235453  0.67911679  0.25363612
   0.13923905  0.83993151  0.02682461
   0.33390028  0.92604031  0.33087464
   0.42968851  0.88397744  0.15723757
   0.18523658  0.79801725  0.20677015
   0.33746130  0.68123310  0.44064309
   0.07608656  0.58685336  0.41093381
   0.20658261  0.53215439  0.56231149
   0.36180219  0.70624112  0.76581221
   0.11474516  0.77955552  0.52887486
   0.40049737  0.97227964  0.80878110
   0.48017258  0.87549551  0.63666315
   0.20176595  0.91192590  0.68196891
   0.29744004  0.66039986 -0.04712171
   0.04157387  0.64169280  0.89939788
   0.62281497  0.04196259  0.10501158
   0.84203752  0.19545366  0.24854779
   0.58191581  0.28966244  0.03966428
   0.86942752  0.44798791  0.35629753
   0.02214552  0.36933294  0.19409682
   0.77379980  0.40089769  0.14411905
   0.71697832  0.16709199  0.39658616
   0.46807540  0.11207166  0.43848477
   0.65532952  0.08142720  0.57803595
   0.87428429  0.20598476  0.79310040
   0.59399756  0.32410169  0.51844364
   0.87437142  0.46879593  0.84353341
   1.01509614  0.45042592  0.68178852
   0.73882798  0.40735105  0.67782604
   0.75224980  0.12381888  0.94014209
   0.48552797  0.09067554  0.94781677
   0.57085158  0.54574984  0.06736129
   0.88198833  0.69068659  0.29612233
   0.59307594  0.79076130  0.02198709
   0.85068752  0.95087575  0.33300495
   0.93316498  0.88239631  0.15883274
   0.68153629  0.81141190  0.20661634
   0.81465684  0.65859435  0.47245598
   0.57208788  0.56310645  0.38936177
   0.61122983  0.58647909  0.56906450
   0.83178850  0.71243175  0.79118388
   0.57820106  0.81004756  0.44011983
   0.90942983  0.94464614  0.83245259
   0.94964882  0.83448271  0.66524368
   0.68894731  0.92169156  0.72514099
   0.79099124  0.63743628  0.97956295
   0.54129448  0.60844391  0.88881827
   0.72019314  0.84215209  0.56461813
   0.48283947  0.82375715  0.45656170
   0.91029228  0.19896264  0.06133532
   0.92514394  0.36246882  0.36046907
   0.32402471  0.07523830  0.63682077
   0.26351235  0.74591514  0.73658377
   0.20248471  1.09289896  0.17586140
   0.22627418  1.08031417  0.02846273
   0.66250445  0.34784811  0.83761343
   0.91884470  0.44506589  0.65202999
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962645    0.515641   -0.240800
    -0.000000    9.965753   -0.077126
    -0.000000    0.000000   13.893590
   Si   O    H 
    32    64    10
Direct configuration=  2192
   0.15094089  0.17594989 -0.02600296
   0.33756356  0.08147321  0.36804339
   0.12823566  0.41924820  0.11971285
   0.37381763  0.33672926  0.24923214
   0.07819145  0.16011446  0.49141393
   0.38635874  0.12411425  0.85761550
   0.14753526  0.40789780  0.61786775
   0.39515469  0.36868186  0.74714876
   0.14914386  0.67486253 -0.00463137
   0.41443711  0.57966471  0.35113430
   0.08754645  0.90091171  0.13813799
   0.33473215  0.83075021  0.23932832
   0.18917295  0.65289692  0.48639162
   0.38604292  0.61719958  0.85891212
   0.07352808  0.89136735  0.60717260
   0.35929914  0.96025803  0.69111745
   0.61729712  0.13422745  1.00898051
   0.84576352  0.11338813  0.34199842
   0.61110750  0.40821778  0.11856396
   0.89385247  0.27970067  0.15502042
   0.60248722  0.17070147  0.48245906
   0.88075053  0.09537328  0.87554230
   0.61142375  0.43629432  0.60056047
   0.78628549  0.35868336  0.78970973
   0.62332576  0.63784040 -0.01535443
   0.91735718  0.59263899  0.38247794
   0.58744320  0.88231247  0.12022145
   0.83810799  0.83583502  0.24672273
   0.64751641  0.66573270  0.46762231
   0.88495159  0.62259282  0.88109876
   0.62817371  0.92437658  0.61311190
   0.84366010  0.86119567  0.74881266
   0.11555580  0.05515849  0.17057431
   0.33621850  0.18158081  0.27572229
   0.12735484  0.31731559  0.02373275
   0.34214094  0.43937399  0.34395656
   0.52941776  0.37081483  0.22122218
   0.28130494  0.38900255  0.16255572
   0.20808189  0.10032056  0.43358579
  -0.03946019  0.16972294  0.40865383
   0.03450844  0.03483382  0.56217804
   0.45957479  0.22406604  0.78987795
   0.08337567  0.31156669  0.53162309
   0.35895198  0.46038281  0.84007242
   0.47831031  0.42111714  0.66086644
   0.25385229  0.31854467  0.68795816
   0.23184824  0.17567974 -0.12871006
   0.01023622  0.10111045  0.94936797
   0.10456042  0.57573598  0.08348696
   0.41092103  0.67949069  0.25256092
   0.14099021  0.84061575  0.02675118
   0.33379791  0.92640664  0.33031536
   0.43074691  0.88339964  0.15837483
   0.18497825  0.80031462  0.20742448
   0.33664918  0.68156984  0.44102917
   0.07510620  0.58885450  0.41154534
   0.20840921  0.53220619  0.56403371
   0.36058435  0.70676180  0.76433247
   0.11334399  0.78023758  0.52965522
   0.40014406  0.97456830  0.81003563
   0.48085383  0.87545132  0.63740937
   0.20317106  0.91002062  0.68216215
   0.29788283  0.66079576 -0.04772277
   0.04090660  0.64093422  0.89934912
   0.62466998  0.04282622  0.10585105
   0.84122839  0.19573095  0.24952145
   0.58081512  0.28886460  0.03804524
   0.86730249  0.44775971  0.35725813
   0.02182156  0.36943133  0.19428933
   0.77314096  0.40091820  0.14566275
   0.71527181  0.16756687  0.39654942
   0.46918586  0.11233659  0.43921750
   0.65347557  0.08332289  0.57699343
   0.87599314  0.20539339  0.79302695
   0.59651268  0.32580313  0.51789921
   0.87392490  0.46704692  0.84192407
   1.01586036  0.45000143  0.68115121
   0.74058392  0.40590846  0.67645573
   0.75274162  0.12216352  0.94073759
   0.48566408  0.09101189  0.94699720
   0.57099580  0.54596795  0.06781521
   0.88243356  0.68988572  0.29566353
   0.59360944  0.79341259  0.02188374
   0.84939285  0.94965016  0.33318407
   0.93264900  0.88313187  0.15939856
   0.68179769  0.80949590  0.20697150
   0.81306722  0.65950121  0.47217601
   0.57259956  0.56319329  0.39101464
   0.60902977  0.58724505  0.56903206
   0.83342149  0.71170285  0.79131766
   0.57590648  0.80968859  0.44031754
   0.90961738  0.94475127  0.83157963
   0.95034835  0.83375914  0.66531268
   0.68553409  0.92104042  0.72604341
   0.79032255  0.63658693  0.97772706
   0.54220893  0.60986413  0.88945747
   0.72208477  0.83810340  0.55838121
   0.48794931  0.82456571  0.45847230
   0.90346876  0.20606747  0.06008919
   0.92898350  0.37120531  0.36011408
   0.32378291  0.07804489  0.63565545
   0.26513103  0.74106069  0.74203194
   0.20589089  1.09594156  0.17777332
   0.23135391  1.07430362  0.03209070
   0.65865782  0.34898879  0.83566372
   0.92129496  0.45425469  0.65352709
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961860    0.514551   -0.240832
    -0.000000    9.965635   -0.077049
    -0.000000    0.000000   13.892808
   Si   O    H 
    32    64    10
Direct configuration=  2193
   0.15100520  0.17645458 -0.02617269
   0.33797223  0.08109014  0.36799198
   0.12839325  0.42000171  0.12037521
   0.37436846  0.33689001  0.24991300
   0.07800544  0.16136776  0.49125270
   0.38542925  0.12454947  0.85763260
   0.14703141  0.40781573  0.61823212
   0.39564332  0.36860673  0.74672124
   0.14809244  0.67441556 -0.00399156
   0.41467246  0.58157919  0.35070768
   0.08735457  0.90058005  0.13764504
   0.33352356  0.82979303  0.23901121
   0.19010649  0.65218861  0.48691250
   0.38661278  0.61746619  0.85956340
   0.07552550  0.89154821  0.60647073
   0.36111043  0.95933245  0.68983789
   0.61770854  0.13505194  1.00858678
   0.84464338  0.11268243  0.34244033
   0.60991608  0.40755490  0.11811451
   0.89322889  0.28004336  0.15585413
   0.60297852  0.17018572  0.48188373
   0.88007473  0.09618081  0.87558384
   0.61191195  0.43447365  0.60165227
   0.78465791  0.35890852  0.78874161
   0.62389550  0.63826083 -0.01393599
   0.91764741  0.59374219  0.38143218
   0.58780178  0.88241218  0.12028281
   0.83814709  0.83507946  0.24651842
   0.64643736  0.66532936  0.46870353
   0.88432670  0.62323799  0.88023353
   0.62800238  0.92571989  0.61349382
   0.84320178  0.86023684  0.74769779
   0.11517770  0.05571948  0.17116437
   0.33817996  0.18109617  0.27658673
   0.12719207  0.31829472  0.02399358
   0.34358310  0.43959519  0.34307871
   0.52904186  0.37148023  0.22076118
   0.28200323  0.38944582  0.16383772
   0.20840690  0.10049392  0.43317473
  -0.03982936  0.16821517  0.40859496
   0.03497228  0.03506184  0.56304706
   0.45873451  0.22395186  0.78854561
   0.08531806  0.31075416  0.53146890
   0.35916975  0.46004537  0.84016941
   0.47993223  0.42018579  0.66206577
   0.25320343  0.31872470  0.68837369
   0.23182149  0.17593194 -0.12846685
   0.00991747  0.10056350  0.94975788
   0.10463321  0.57620296  0.08375762
   0.40962708  0.67883771  0.25196001
   0.14243242  0.84149577  0.02624313
   0.33399200  0.92813903  0.33001432
   0.43203011  0.88288439  0.15937553
   0.18452372  0.80241238  0.20832533
   0.33554322  0.68300619  0.44157470
   0.07443100  0.59117078  0.41167754
   0.21062994  0.53255835  0.56622982
   0.35901090  0.70764484  0.76279686
   0.11191473  0.78144809  0.52986883
   0.39895712  0.97577783  0.81043300
   0.47976007  0.87522080  0.63778836
   0.20431213  0.90783970  0.68215436
   0.29890198  0.66049650 -0.04833132
   0.04018974  0.64003946  0.89940526
   0.62687663  0.04363612  0.10666962
   0.84043675  0.19663326  0.24978794
   0.57995087  0.28853233  0.03658780
   0.86564683  0.44813975  0.35768126
   0.02117303  0.36922138  0.19472988
   0.77282301  0.39949604  0.14700168
   0.71239523  0.16792364  0.39687812
   0.46928059  0.11221830  0.43983450
   0.65152008  0.08461493  0.57612532
   0.87676494  0.20547108  0.79316551
   0.59892976  0.32680141  0.51738532
   0.87382957  0.46522638  0.84062371
   1.01746216  0.45002067  0.68043381
   0.74252104  0.40447708  0.67565304
   0.75286061  0.12010765  0.94165950
   0.48515874  0.09114082  0.94674544
   0.57073393  0.54621973  0.06853471
   0.88235585  0.68918932  0.29502261
   0.59415693  0.79683024  0.02134562
   0.84834195  0.94743666  0.33294854
   0.93259088  0.88330777  0.15952547
   0.68287214  0.80859546  0.20740274
   0.81175567  0.66045880  0.47183078
   0.57371679  0.56291175  0.39213805
   0.60690479  0.58849516  0.56942586
   0.83429577  0.71183730  0.79133631
   0.57383294  0.80993519  0.43973654
   0.91025330  0.94416520  0.83105117
   0.95110850  0.83288622  0.66448549
   0.68306221  0.92053810  0.72644570
   0.78975647  0.63554520  0.97578902
   0.54325299  0.61075182  0.88960237
   0.72407256  0.83236833  0.55408851
   0.47796632  0.82423923  0.46149791
   0.89708873  0.21266476  0.06382399
   0.93188518  0.37461383  0.35983744
   0.32589902  0.08348076  0.63235559
   0.27497238  0.73565142  0.74838861
   0.20135872  1.09500054  0.17740300
   0.23272003  1.07128204  0.03557465
   0.65878428  0.34939310  0.83483525
   0.92938610  0.46385991  0.65821743
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961102    0.514290   -0.240950
    -0.000000    9.965837   -0.077226
    -0.000000    0.000000   13.892330
   Si   O    H 
    32    64    10
Direct configuration=  2194
   0.15084616  0.17677094 -0.02634639
   0.33855124  0.08019246  0.36850016
   0.12856942  0.42109775  0.12072529
   0.37468268  0.33718144  0.25038375
   0.07799963  0.16181309  0.49175327
   0.38484481  0.12422274  0.85741578
   0.14665566  0.40743240  0.61877971
   0.39570160  0.36824068  0.74623403
   0.14704990  0.67455238 -0.00375906
   0.41437551  0.58364775  0.35035066
   0.08830227  0.90034767  0.13724794
   0.33271006  0.82875286  0.23863799
   0.19086397  0.65093116  0.48752447
   0.38731460  0.61707428  0.86021705
   0.07802701  0.89203899  0.60616276
   0.36265614  0.95911148  0.68855215
   0.61806003  0.13600384  1.00808953
   0.84385830  0.11202860  0.34265729
   0.60839563  0.40658624  0.11786978
   0.89269147  0.28036608  0.15743459
   0.60339595  0.16966016  0.48107561
   0.87949580  0.09722962  0.87551322
   0.61242204  0.43302293  0.60298229
   0.78339754  0.35851577  0.78760092
   0.62486901  0.63883109 -0.01265494
   0.91784066  0.59533748  0.38087087
   0.58822861  0.88273131  0.11995686
   0.83835303  0.83380182  0.24670770
   0.64536673  0.66430463  0.46974665
   0.88401130  0.62335640  0.87985822
   0.62800637  0.92682527  0.61383729
   0.84269886  0.85905229  0.74705366
   0.11451382  0.05612516  0.17192698
   0.33983189  0.18128428  0.27743124
   0.12679282  0.31950847  0.02416609
   0.34505052  0.43931621  0.34204187
   0.52875296  0.37185474  0.21980971
   0.28221097  0.38949578  0.16550651
   0.20871362  0.10038759  0.43211989
  -0.03952896  0.16668713  0.40909257
   0.03483660  0.03539756  0.56326473
   0.45784885  0.22445799  0.78706291
   0.08690269  0.31035119  0.53158361
   0.35959755  0.46024414  0.84012323
   0.48169213  0.41968206  0.66305624
   0.25350409  0.31832374  0.68895792
   0.23186586  0.17675957 -0.12766079
   0.01033103  0.10002047  0.95017415
   0.10547438  0.57659491  0.08376409
   0.40861194  0.67783135  0.25200455
   0.14333289  0.84165485  0.02610454
   0.33401107  0.92965110  0.32969901
   0.43377331  0.88294838  0.15975682
   0.18330572  0.80470675  0.20895969
   0.33366708  0.68448250  0.44249042
   0.07426418  0.59355534  0.41198370
   0.21273323  0.53223535  0.56759203
   0.35935110  0.70745771  0.76167385
   0.11043995  0.78231609  0.53018323
   0.39763018  0.97719378  0.80976111
   0.47778289  0.87465886  0.63766769
   0.20431963  0.90580614  0.68175600
   0.30003286  0.65972613 -0.04965732
   0.04017480  0.63895900  0.90002808
   0.62821225  0.04350722  0.10764731
   0.84013433  0.19796331  0.24896066
   0.57944349  0.28815404  0.03540331
   0.86445506  0.44790588  0.35808261
   0.02111120  0.36904946  0.19471059
   0.77178532  0.39818119  0.14806601
   0.70979561  0.16774809  0.39739363
   0.46865120  0.11098314  0.44005748
   0.65042866  0.08550602  0.57547516
   0.87688803  0.20573122  0.79325676
   0.60139060  0.32721125  0.51615584
   0.87409861  0.46419650  0.83958527
   1.01958318  0.45108305  0.68060517
   0.74542279  0.40272121  0.67534562
   0.75297147  0.11796471  0.94293341
   0.48430517  0.09147110  0.94666646
   0.57012599  0.54647917  0.06932887
   0.88218866  0.68957422  0.29449968
   0.59444532  0.79978893  0.02050767
   0.84723356  0.94575927  0.33192300
   0.93153892  0.88281596  0.16046591
   0.68413291  0.80771922  0.20733558
   0.81051226  0.66135204  0.47109397
   0.57496911  0.56205881  0.39338355
   0.60444481  0.59046446  0.56980164
   0.83496985  0.71234523  0.79072956
   0.57190702  0.81032286  0.43914982
   0.91056752  0.94441559  0.83077273
   0.95213603  0.83242488  0.66394790
   0.68172243  0.92027029  0.72636466
   0.78909836  0.63454952  0.97344630
   0.54371846  0.61140734  0.88940947
   0.72482587  0.83128484  0.55355068
   0.47087245  0.82039620  0.46393959
   0.89338288  0.21482751  0.06742150
   0.93309433  0.37423414  0.35893862
   0.33069257  0.08787002  0.63049413
   0.26340214  0.73707367  0.74986080
   0.19723618  1.09212834  0.17773866
   0.23190830  1.07064047  0.03629608
   0.65920215  0.35170164  0.83586674
   0.92472734  0.47274947  0.65827696
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960142    0.513968   -0.241026
    -0.000000    9.965701   -0.077563
    -0.000000    0.000000   13.892488
   Si   O    H 
    32    64    10
Direct configuration=  2195
   0.15077607  0.17627819 -0.02641101
   0.33911778  0.07937205  0.36901532
   0.12904621  0.42262678  0.12057172
   0.37576687  0.33703159  0.25066353
   0.07747355  0.16191395  0.49222218
   0.38493859  0.12328577  0.85735582
   0.14568254  0.40713084  0.61958859
   0.39507372  0.36764948  0.74578460
   0.14613171  0.67452396 -0.00375877
   0.41492919  0.58538876  0.35014933
   0.08981700  0.89951518  0.13689604
   0.33266016  0.82773153  0.23847655
   0.19185897  0.64926066  0.48807589
   0.38794775  0.61629411  0.86066078
   0.08023687  0.89260511  0.60611844
   0.36338514  0.95898462  0.68780069
   0.61797226  0.13662559  1.00786754
   0.84260096  0.11166818  0.34301272
   0.60724246  0.40494024  0.11766028
   0.89255440  0.28092156  0.15877017
   0.60410372  0.16942230  0.48006478
   0.87909922  0.09812860  0.87548827
   0.61334967  0.43201796  0.60390676
   0.78222904  0.35782915  0.78641580
   0.62598116  0.63974278 -0.01079994
   0.91743982  0.59666409  0.38064534
   0.58782926  0.88326792  0.11955882
   0.83894972  0.83306590  0.24680875
   0.64481022  0.66342244  0.47070420
   0.88410258  0.62330864  0.87980872
   0.62794249  0.92809340  0.61400252
   0.84209556  0.85857467  0.74614466
   0.11325863  0.05573978  0.17234591
   0.34140737  0.18138636  0.27824374
   0.12623323  0.32098105  0.02546388
   0.34553091  0.43903124  0.34114694
   0.52862398  0.37196366  0.21877845
   0.28160914  0.38895827  0.16619788
   0.20775605  0.10000609  0.43160912
  -0.03926805  0.16468413  0.40896792
   0.03564601  0.03723148  0.56374394
   0.45682507  0.22518500  0.78523429
   0.08888917  0.30993830  0.53173678
   0.36023188  0.45991287  0.84003904
   0.48312389  0.41946047  0.66383545
   0.25333565  0.31777992  0.68971060
   0.23185123  0.17756025 -0.12631722
   0.01077640  0.10080357  0.95080053
   0.10667994  0.57656509  0.08369853
   0.40587575  0.67667700  0.25256307
   0.14337366  0.84129354  0.02599697
   0.33411302  0.93141307  0.32896100
   0.43559906  0.88340678  0.16002242
   0.18119760  0.80676117  0.20955532
   0.33252234  0.68591470  0.44393894
   0.07480786  0.59491381  0.41280971
   0.21456647  0.53175051  0.56835818
   0.36005615  0.70741374  0.76083252
   0.10898342  0.78225765  0.53010220
   0.39556011  0.97849416  0.80843543
   0.47611108  0.87428955  0.63749993
   0.20470997  0.90473383  0.68182904
   0.30072513  0.65908424 -0.05040190
   0.04091267  0.63773105  0.90074212
   0.62918127  0.04356835  0.10845165
   0.84044089  0.19841040  0.24768118
   0.57945892  0.28785525  0.03412892
   0.86432787  0.44664686  0.35845238
   0.02157531  0.36947205  0.19402854
   0.77021323  0.39623198  0.14971556
   0.70769141  0.16809639  0.39767558
   0.46688495  0.10906558  0.44010812
   0.64970645  0.08596119  0.57527412
   0.87686918  0.20666939  0.79303574
   0.60354090  0.32682951  0.51476841
   0.87371476  0.46308904  0.83856579
   1.02096298  0.45228873  0.68076595
   0.74842868  0.40078308  0.67551642
   0.75304808  0.11604736  0.94426776
   0.48390572  0.09169537  0.94701156
   0.56971304  0.54707436  0.07008514
   0.88188860  0.69010769  0.29364582
   0.59516855  0.80204583  0.01973168
   0.84597229  0.94531344  0.33034497
   0.93138065  0.88243480  0.16130258
   0.68569372  0.80662747  0.20641282
   0.80938149  0.66252400  0.46989167
   0.57639683  0.56116244  0.39408540
   0.60184807  0.59193462  0.57062696
   0.83519322  0.71325699  0.79007453
   0.56906037  0.81196717  0.43874202
   0.91042452  0.94523506  0.83047233
   0.95352264  0.83269840  0.66322400
   0.68074548  0.91987829  0.72688204
   0.78854908  0.63288201  0.97130032
   0.54393753  0.61155176  0.88859688
   0.72303441  0.83568292  0.55813922
   0.47482141  0.81198678  0.46270866
   0.89188406  0.21470860  0.06823891
   0.93538831  0.37109489  0.35584434
   0.33777102  0.09185593  0.62946758
   0.25734160  0.74298680  0.75326284
   0.20266519  1.09478128  0.17762100
   0.23059063  1.07418889  0.03420261
   0.65973896  0.35472902  0.83886649
   0.92156442  0.48174939  0.65871108
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958841    0.513920   -0.241737
    -0.000000    9.965562   -0.077885
    -0.000000    0.000000   13.892651
   Si   O    H 
    32    64    10
Direct configuration=  2196
   0.15053028  0.17647986 -0.02641169
   0.33973898  0.07906335  0.36983068
   0.12963874  0.42434870  0.12002946
   0.37690816  0.33726460  0.25082218
   0.07679408  0.16139068  0.49276618
   0.38502553  0.12250535  0.85700735
   0.14514813  0.40673292  0.62051991
   0.39433423  0.36674112  0.74569781
   0.14508379  0.67426927 -0.00397264
   0.41592525  0.58708948  0.35033493
   0.09065399  0.89913361  0.13652723
   0.33345982  0.82718376  0.23838092
   0.19316492  0.64792310  0.48840359
   0.38854960  0.61620970  0.86112641
   0.08177608  0.89389522  0.60623446
   0.36331216  0.95891273  0.68762988
   0.61807857  0.13655163  1.00713923
   0.84114725  0.11155770  0.34323986
   0.60610877  0.40377126  0.11781229
   0.89212730  0.28214577  0.16003740
   0.60432449  0.16930673  0.47877868
   0.87850184  0.09898658  0.87549862
   0.61399883  0.43141657  0.60453018
   0.78114117  0.35715785  0.78513521
   0.62654280  0.64158378 -0.00900233
   0.91711152  0.59731255  0.38079629
   0.58816096  0.88366555  0.11931737
   0.83928666  0.83180160  0.24694730
   0.64517067  0.66260222  0.47164748
   0.88389641  0.62300563  0.87957611
   0.62771720  0.92846183  0.61460983
   0.84173551  0.85895389  0.74547926
   0.11221825  0.05471035  0.17229109
   0.34268672  0.18236690  0.27944920
   0.12569337  0.32209544  0.02698494
   0.34590938  0.43877842  0.34067505
   0.52942831  0.37190545  0.21750618
   0.28068339  0.38923611  0.16631643
   0.20611617  0.09969809  0.43190227
  -0.03898879  0.16254740  0.40925689
   0.03636653  0.03905944  0.56415819
   0.45511954  0.22532836  0.78375934
   0.09085052  0.30930617  0.53210975
   0.36081926  0.46021601  0.83990259
   0.48471063  0.41908058  0.66441503
   0.25345831  0.31775479  0.68978717
   0.23127561  0.17868456 -0.12444654
   0.01091827  0.10202809  0.95116193
   0.10845796  0.57684107  0.08400886
   0.40318141  0.67508962  0.25270605
   0.14305733  0.84076515  0.02625128
   0.33444618  0.93206499  0.32739349
   0.43636162  0.88386644  0.16051375
   0.17859354  0.80938460  0.20997707
   0.33155018  0.68670734  0.44541854
   0.07504253  0.59581967  0.41297548
   0.21588562  0.53107587  0.56881597
   0.35999320  0.70704270  0.76014697
   0.10872051  0.78213905  0.52933785
   0.39333963  0.97949227  0.80665666
   0.47457729  0.87323339  0.63677419
   0.20632014  0.90363043  0.68185166
   0.30064495  0.65833771 -0.04999806
   0.04197018  0.63634526  0.90208614
   0.63072917  0.04424176  0.10959201
   0.84085800  0.19857991  0.24604000
   0.57958849  0.28845022  0.03310466
   0.86426390  0.44527112  0.35879605
   0.02201837  0.36928918  0.19360537
   0.76882323  0.39438942  0.15147572
   0.70516978  0.16842163  0.39763971
   0.46556275  0.10773133  0.44016651
   0.64962672  0.08567465  0.57540427
   0.87713975  0.20862004  0.79282644
   0.60490040  0.32651414  0.51411501
   0.87331189  0.46254787  0.83809433
   1.02212950  0.45381929  0.68153042
   0.75073477  0.39842273  0.67556222
   0.75261605  0.11467445  0.94519718
   0.48312919  0.09288077  0.94706438
   0.56919885  0.54666312  0.07049225
   0.88192157  0.69125785  0.29204210
   0.59642123  0.80348306  0.01888624
   0.84484284  0.94635978  0.32852068
   0.93134479  0.88190204  0.16211718
   0.68668856  0.80628957  0.20527446
   0.80940349  0.66288505  0.46825271
   0.57761983  0.56026274  0.39380371
   0.59970405  0.59253551  0.57158272
   0.83429402  0.71431329  0.78981588
   0.56689411  0.81320345  0.43848408
   0.91011768  0.94542572  0.82989085
   0.95433283  0.83377617  0.66267272
   0.68043494  0.91907384  0.72749360
   0.78737854  0.63161439  0.96990394
   0.54482374  0.61203847  0.88832197
   0.72128694  0.84176070  0.56397892
   0.48033915  0.80369990  0.46085245
   0.89138997  0.21236981  0.06999126
   0.93169768  0.37060939  0.35311474
   0.34840779  0.09348689  0.63216063
   0.26260707  0.74264503  0.75539782
   0.20500626  1.09957855  0.17958305
   0.23110976  1.08358769  0.03183307
   0.65911345  0.35770307  0.84207597
   0.93112347  0.48314646  0.66272249
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957586    0.512782   -0.242725
    -0.000000    9.964985   -0.078101
    -0.000000    0.000000   13.892759
   Si   O    H 
    32    64    10
Direct configuration=  2197
   0.14980597  0.17700941 -0.02667494
   0.34033191  0.07933766  0.37065733
   0.13024039  0.42534734  0.11958424
   0.37731206  0.33655124  0.25100134
   0.07675436  0.16022521  0.49348881
   0.38550931  0.12194319  0.85682682
   0.14502999  0.40655874  0.62161649
   0.39331348  0.36601743  0.74568847
   0.14403560  0.67354817 -0.00428862
   0.41736023  0.58865200  0.35104791
   0.09099730  0.89857378  0.13562403
   0.33434637  0.82725918  0.23858638
   0.19399593  0.64652868  0.48880824
   0.38976708  0.61612396  0.86111286
   0.08368776  0.89504665  0.60651997
   0.36303479  0.95894327  0.68750198
   0.61797544  0.13646349  1.00645199
   0.83925183  0.11143475  0.34346619
   0.60518032  0.40260887  0.11800415
   0.89200353  0.28315922  0.16084459
   0.60379099  0.16961642  0.47791246
   0.87826720  0.09943694  0.87549746
   0.61552092  0.43088429  0.60520356
   0.78007528  0.35625724  0.78404955
   0.62607968  0.64356304 -0.00724481
   0.91599909  0.59737157  0.38137724
   0.58863905  0.88481272  0.11921820
   0.83920397  0.83042280  0.24688578
   0.64495126  0.66178547  0.47221284
   0.88272686  0.62252012  0.87920909
   0.62784128  0.92852409  0.61495836
   0.84199703  0.85931013  0.74476734
   0.11172697  0.05385493  0.17251524
   0.34341142  0.18316707  0.28057976
   0.12573675  0.32353222  0.02780694
   0.34585828  0.43876563  0.34040668
   0.53004643  0.37180878  0.21607915
   0.27969105  0.38964718  0.16576698
   0.20573091  0.09933105  0.43272574
  -0.03866368  0.16129437  0.40930508
   0.03677157  0.04138509  0.56411681
   0.45436844  0.22521053  0.78280776
   0.09273243  0.30892400  0.53243027
   0.36143329  0.46053996  0.83955440
   0.48636451  0.41924825  0.66462328
   0.25351801  0.31798660  0.68969067
   0.23086581  0.17953190 -0.12269060
   0.01047649  0.10394192  0.95176488
   0.11048274  0.57815004  0.08418701
   0.40032927  0.67317033  0.25288150
   0.14246935  0.84027284  0.02696292
   0.33487198  0.93223387  0.32614923
   0.43690303  0.88432023  0.16081647
   0.17646956  0.81094875  0.21085143
   0.33121878  0.68706613  0.44619013
   0.07553763  0.59717903  0.41333476
   0.21760160  0.53028790  0.56886755
   0.35997467  0.70719628  0.75985368
   0.10901911  0.78133307  0.52868971
   0.39117476  0.97966119  0.80520652
   0.47397405  0.87191203  0.63571010
   0.20748579  0.90232634  0.68199108
   0.30052033  0.65737988 -0.04882477
   0.04324706  0.63539520  0.90339653
   0.63153771  0.04427176  0.11122748
   0.84139442  0.19844061  0.24483321
   0.57924331  0.28978153  0.03231119
   0.86358440  0.44386386  0.35916711
   0.02279532  0.36900199  0.19311712
   0.76698388  0.39226516  0.15234674
   0.70310532  0.16883622  0.39714947
   0.46469588  0.10656860  0.44049955
   0.64991922  0.08525292  0.57618062
   0.87667509  0.21080202  0.79269122
   0.60687223  0.32666668  0.51394321
   0.87340084  0.46213323  0.83838446
   1.02292706  0.45436281  0.68218508
   0.75198162  0.39698197  0.67505756
   0.75178252  0.11369486  0.94619113
   0.48224711  0.09441547  0.94716281
   0.56874065  0.54656206  0.07061320
   0.88237304  0.69245450  0.29082316
   0.59758462  0.80461273  0.01855168
   0.84319191  0.94782913  0.32666930
   0.93205430  0.88118390  0.16251119
   0.68769881  0.80565725  0.20337464
   0.80979056  0.66302464  0.46677537
   0.57772553  0.55963157  0.39331909
   0.59724958  0.59333858  0.57225180
   0.83295619  0.71446254  0.79011036
   0.56708445  0.81327289  0.43809399
   0.90948441  0.94465104  0.82945231
   0.95504973  0.83557659  0.66205302
   0.68081347  0.91778134  0.72755613
   0.78622651  0.63082743  0.96890985
   0.54634214  0.61336895  0.88861076
   0.72297859  0.84468840  0.56890003
   0.47539095  0.79721395  0.45970789
   0.89239402  0.20401682  0.07021157
   0.92599211  0.37519595  0.35053902
   0.35947761  0.08933533  0.63487346
   0.27154281  0.74287163  0.75694108
   0.19468577  1.09882735  0.17973227
   0.23757079  1.09333880  0.02965659
   0.65884740  0.36047119  0.84412809
   0.94025667  0.48260820  0.66636072
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956356    0.511042   -0.243959
    -0.000000    9.964391   -0.078241
    -0.000000    0.000000   13.892818
   Si   O    H 
    32    64    10
Direct configuration=  2198
   0.14899447  0.17769984 -0.02674869
   0.34083852  0.07988188  0.37156462
   0.13050533  0.42581202  0.11916897
   0.37785129  0.33655237  0.25099083
   0.07686811  0.15956446  0.49450880
   0.38612784  0.12186289  0.85665141
   0.14499625  0.40662969  0.62226187
   0.39240249  0.36540192  0.74586057
   0.14332588  0.67361130 -0.00470590
   0.41925656  0.58994871  0.35169419
   0.09110946  0.89763030  0.13455776
   0.33537148  0.82765309  0.23859350
   0.19447541  0.64512348  0.48881759
   0.39077828  0.61642774  0.86056633
   0.08504272  0.89692866  0.60693944
   0.36242517  0.95970316  0.68774578
   0.61732222  0.13671167  1.00555731
   0.83694997  0.11224981  0.34346862
   0.60470451  0.40101144  0.11821927
   0.89189148  0.28391842  0.16162552
   0.60262075  0.17032016  0.47700767
   0.87772566  0.09914522  0.87511900
   0.61707644  0.43035711  0.60602724
   0.78055321  0.35517642  0.78387078
   0.62615052  0.64547984 -0.00592790
   0.91431279  0.59756462  0.38228141
   0.58941446  0.88600468  0.11925297
   0.83929489  0.82979323  0.24630474
   0.64494602  0.66132286  0.47265970
   0.88209914  0.62158094  0.87868779
   0.62754751  0.92803124  0.61573982
   0.84207473  0.86006700  0.74404002
   0.11064044  0.05306622  0.17247606
   0.34327466  0.18381469  0.28177184
   0.12607472  0.32452169  0.02854685
   0.34586412  0.43862510  0.34032234
   0.53000187  0.37153646  0.21491486
   0.27885876  0.39000747  0.16545803
   0.20479304  0.09926548  0.43433282
  -0.03890667  0.16017357  0.40918755
   0.03694802  0.04273235  0.56327577
   0.45413507  0.22486566  0.78219195
   0.09474841  0.30851212  0.53327071
   0.36201073  0.46051932  0.83927648
   0.48837831  0.42001425  0.66492484
   0.25368394  0.31831149  0.68914467
   0.23080403  0.18028624 -0.12149446
   0.00934136  0.10536460  0.95160172
   0.11225737  0.57955275  0.08477937
   0.39821892  0.67113177  0.25291243
   0.14168960  0.83931965  0.02756360
   0.33469176  0.93125298  0.32476416
   0.43830268  0.88344559  0.16080493
   0.17405033  0.81172816  0.21157661
   0.33144179  0.68736943  0.44608539
   0.07556486  0.59759319  0.41290203
   0.21879670  0.52989835  0.56921811
   0.36082532  0.70699919  0.75930577
   0.10979963  0.78008747  0.52749278
   0.38885996  0.97896088  0.80342990
   0.47382045  0.87062222  0.63411765
   0.20892432  0.90036491  0.68158983
   0.29981855  0.65646163 -0.04777326
   0.04535339  0.63460242  0.90451704
   0.63117299  0.04424583  0.11193713
   0.84200813  0.19756882  0.24373238
   0.57781894  0.29121899  0.03181606
   0.86296319  0.44285341  0.35929278
   0.02280101  0.36803799  0.19311703
   0.76538265  0.39029327  0.15323964
   0.70160936  0.16872633  0.39614051
   0.46391417  0.10442197  0.44064636
   0.64918041  0.08445009  0.57627474
   0.87506887  0.21275975  0.79235714
   0.60861929  0.32690962  0.51448523
   0.87330939  0.46257131  0.83855047
   1.02485404  0.45487129  0.68362058
   0.75262159  0.39625775  0.67430984
   0.75085510  0.11241191  0.94713999
   0.48079095  0.09590249  0.94754628
   0.56963370  0.54679284  0.07041559
   0.88294583  0.69363732  0.28998709
   0.59811848  0.80651644  0.01771384
   0.84207439  0.94998218  0.32498558
   0.93289450  0.87998387  0.16316207
   0.68758262  0.80514179  0.20158427
   0.81016321  0.66352535  0.46433633
   0.57757600  0.55881483  0.39259138
   0.59536658  0.59408262  0.57309735
   0.83094619  0.71481116  0.79047624
   0.56752377  0.81322768  0.43828398
   0.90884156  0.94403820  0.82976667
   0.95463959  0.83699195  0.66164976
   0.68097878  0.91612800  0.72790537
   0.78455924  0.62984174  0.96826823
   0.54792244  0.61521928  0.88930078
   0.72543140  0.84261055  0.56899232
   0.46883747  0.79234813  0.45747632
   0.89452202  0.19799839  0.07220828
   0.93152521  0.36767182  0.34844378
   0.37083511  0.08892356  0.63655336
   0.27047667  0.74703799  0.75687718
   0.18886480  1.09842143  0.17913024
   0.24178448  1.10171492  0.03152757
   0.65818601  0.36039734  0.84420744
   0.92435514  0.48645400  0.66303642
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954799    0.509369   -0.245601
    -0.000000    9.963808   -0.078314
    -0.000000    0.000000   13.893006
   Si   O    H 
    32    64    10
Direct configuration=  2199
   0.14819451  0.17848559 -0.02690397
   0.34060802  0.08040541  0.37207865
   0.13079649  0.42598040  0.11894845
   0.37812987  0.33636212  0.25078337
   0.07720117  0.15872751  0.49540227
   0.38686433  0.12186899  0.85652773
   0.14593335  0.40732746  0.62252494
   0.39106746  0.36452775  0.74616211
   0.14289777  0.67440812 -0.00540270
   0.42093769  0.59125893  0.35221963
   0.09143971  0.89633223  0.13342731
   0.33607407  0.82769847  0.23865041
   0.19444146  0.64413269  0.48870487
   0.39225905  0.61705027  0.85988378
   0.08642998  0.89832636  0.60732789
   0.36187743  0.96101777  0.68787698
   0.61662936  0.13683274  1.00515716
   0.83507518  0.11310252  0.34328098
   0.60421825  0.40066542  0.11828231
   0.89222084  0.28489474  0.16207298
   0.60134743  0.17135355  0.47682795
   0.87765430  0.09867854  0.87536185
   0.61813359  0.43000545  0.60658198
   0.78130522  0.35407880  0.78389829
   0.62659567  0.64707455 -0.00464346
   0.91215702  0.59859862  0.38335189
   0.59032395  0.88705931  0.11945307
   0.83950561  0.82968350  0.24553008
   0.64430603  0.66068009  0.47310375
   0.88160812  0.62049680  0.87800382
   0.62633572  0.92765011  0.61642237
   0.84191808  0.86037834  0.74295109
   0.10900608  0.05163860  0.17193429
   0.34273844  0.18504247  0.28214056
   0.12623366  0.32569391  0.02812560
   0.34574753  0.43856950  0.34009165
   0.52900243  0.37079952  0.21415487
   0.27818871  0.39005208  0.16482584
   0.20496841  0.09944620  0.43612045
  -0.03868415  0.15926210  0.40910209
   0.03716814  0.04434166  0.56293872
   0.45505923  0.22445090  0.78197133
   0.09671643  0.30822280  0.53415700
   0.36338979  0.46036827  0.83847654
   0.49054523  0.42036349  0.66596019
   0.25422279  0.31926420  0.68871269
   0.23172259  0.18083005 -0.12099119
   0.00805480  0.10733289  0.95141462
   0.11401889  0.58093916  0.08560043
   0.39610176  0.66993867  0.25388248
   0.14094215  0.83812289  0.02776113
   0.33551353  0.93101114  0.32321271
   0.43977579  0.88215595  0.16123122
   0.17324676  0.81140115  0.21249433
   0.33259486  0.68760937  0.44589979
   0.07512370  0.59785228  0.41238751
   0.22074289  0.52945337  0.56982317
   0.36228207  0.70607946  0.75878204
   0.11103020  0.77926864  0.52700537
   0.38585998  0.97785508  0.80182797
   0.47348052  0.86873761  0.63235305
   0.20983847  0.89892926  0.68115471
   0.29864140  0.65620426 -0.04659455
   0.04635255  0.63467809  0.90506233
   0.63116774  0.04379496  0.11226589
   0.84269053  0.19556580  0.24335604
   0.57691176  0.29261081  0.03095029
   0.86188932  0.44242579  0.35929939
   0.02260299  0.36713904  0.19233351
   0.76426732  0.38909413  0.15343078
   0.70021157  0.16889793  0.39482113
   0.46342177  0.10294617  0.44069959
   0.64849198  0.08307369  0.57630122
   0.87283496  0.21498588  0.79188916
   0.61034197  0.32663196  0.51446277
   0.87261240  0.46257873  0.83946832
   1.02593352  0.45620454  0.68544333
   0.75307723  0.39540679  0.67305166
   0.75020681  0.11108434  0.94780956
   0.48055316  0.09768310  0.94854076
   0.57027764  0.54660648  0.07012376
   0.88389217  0.69341230  0.28958364
   0.59842994  0.80797673  0.01648110
   0.84158297  0.95096997  0.32347563
   0.93361808  0.87802057  0.16392807
   0.68790891  0.80471045  0.20002533
   0.81046640  0.66344141  0.46210448
   0.57692230  0.55812080  0.39066587
   0.59417064  0.59444808  0.57357845
   0.82944514  0.71482763  0.79057810
   0.56702652  0.81247441  0.43856669
   0.90781832  0.94397032  0.83046752
   0.95457794  0.83799124  0.66165676
   0.68203307  0.91508641  0.72818618
   0.78328838  0.62900230  0.96823287
   0.54925280  0.61744667  0.89006525
   0.72593428  0.83843973  0.56592532
   0.47309674  0.79192556  0.45067189
   0.89762839  0.19374047  0.07546214
   0.93609798  0.36632874  0.34684545
   0.38052483  0.09001592  0.63943306
   0.26497191  0.75521746  0.75837835
   0.19131412  1.10243048  0.17819904
   0.24902634  1.10615416  0.03763866
   0.65865124  0.35607781  0.84384617
   0.92349938  0.48437693  0.66176507
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953045    0.507534   -0.247466
    -0.000000    9.962925   -0.078407
    -0.000000    0.000000   13.892944
   Si   O    H 
    32    64    10
Direct configuration=  2200
   0.14699845  0.17966609 -0.02670469
   0.33969165  0.08122673  0.37199061
   0.13098468  0.42608333  0.11908603
   0.37825047  0.33630137  0.25016693
   0.07753297  0.15756667  0.49566192
   0.38741893  0.12260859  0.85593829
   0.14614607  0.40725805  0.62220763
   0.38997525  0.36372498  0.74646629
   0.14277063  0.67517501 -0.00636075
   0.42275359  0.59235748  0.35340784
   0.09082854  0.89518487  0.13264005
   0.33647479  0.82708568  0.23873808
   0.19405800  0.64319008  0.48838974
   0.39341891  0.61789446  0.85920865
   0.08709827  0.89983389  0.60710719
   0.36139839  0.96235511  0.68767881
   0.61621507  0.13658860  1.00518721
   0.83332448  0.11445164  0.34285483
   0.60405981  0.40057846  0.11838330
   0.89222598  0.28586266  0.16255005
   0.59958754  0.17179963  0.47721226
   0.87833461  0.09783710  0.87568610
   0.61920133  0.42987187  0.60698841
   0.78203139  0.35292225  0.78362203
   0.62628554  0.64923274 -0.00357677
   0.91016963  0.59935648  0.38460479
   0.59103721  0.88768630  0.12028860
   0.83845283  0.83003851  0.24496500
   0.64361239  0.65989005  0.47343304
   0.88138065  0.61912517  0.87742719
   0.62586314  0.92792683  0.61655848
   0.84183466  0.86014904  0.74201952
   0.10664607  0.05165451  0.17142833
   0.34233573  0.18641765  0.28224192
   0.12634424  0.32762641  0.02691454
   0.34628224  0.43893731  0.34070323
   0.52788290  0.36959525  0.21315916
   0.27707020  0.39019155  0.16408720
   0.20533974  0.10032755  0.43708175
  -0.03895252  0.15801826  0.40892064
   0.03701728  0.04567845  0.56340870
   0.45696384  0.22354222  0.78214498
   0.09801278  0.30801726  0.53517634
   0.36485550  0.46004312  0.83834092
   0.49162470  0.42105703  0.66727219
   0.25352011  0.32023215  0.68792261
   0.23345545  0.18157186 -0.12094933
   0.00653123  0.10933930  0.95141669
   0.11601881  0.58166735  0.08594613
   0.39477488  0.66911060  0.25505345
   0.13987474  0.83709395  0.02761559
   0.33675360  0.93151075  0.32239006
   0.44114486  0.88122001  0.16216983
   0.17310146  0.81101471  0.21394231
   0.33328711  0.68800337  0.44507182
   0.07461834  0.59778169  0.41198606
   0.22275491  0.52858561  0.57061050
   0.36284951  0.70542380  0.75853393
   0.11225825  0.77922567  0.52671115
   0.38292689  0.97676735  0.80071809
   0.47363311  0.86732393  0.63102780
   0.21209308  0.89786602  0.68096740
   0.29720196  0.65548689 -0.04561180
   0.04671844  0.63492285  0.90530280
   0.63169572  0.04305561  0.11155856
   0.84304285  0.19304092  0.24365355
   0.57577065  0.29431107  0.03075353
   0.86173622  0.44256185  0.36019248
   0.02203543  0.36621363  0.19177841
   0.76365893  0.38839464  0.15366509
   0.69904355  0.16823649  0.39325661
   0.46335449  0.10214399  0.44120556
   0.64801596  0.08186272  0.57587020
   0.87130573  0.21687357  0.79152115
   0.61151813  0.32624546  0.51382967
   0.87239245  0.46256763  0.84120072
   1.02551421  0.45708507  0.68753044
   0.75207394  0.39472399  0.67165967
   0.74941882  0.10927115  0.94812589
   0.48074262  0.09936407  0.95011728
   0.57068820  0.54688531  0.07044147
   0.88555214  0.69258155  0.28933322
   0.59933412  0.80836595  0.01592391
   0.84161264  0.95225394  0.32216545
   0.93388975  0.87667446  0.16418669
   0.68806192  0.80373377  0.19835003
   0.80955705  0.66298477  0.46039721
   0.57724198  0.55804863  0.38889215
   0.59432728  0.59517992  0.57428508
   0.82812155  0.71513078  0.79145199
   0.56671999  0.81155124  0.43919066
   0.90772700  0.94479020  0.83093179
   0.95391497  0.83883896  0.66154829
   0.68327719  0.91348358  0.72827699
   0.78309785  0.62841484  0.96849055
   0.54992322  0.61936878  0.89056082
   0.72516644  0.83451290  0.56311637
   0.47285857  0.79603164  0.44602643
   0.90203070  0.18941340  0.07952321
   0.93356427  0.37197314  0.34577534
   0.38495898  0.09323607  0.64242869
   0.26853295  0.75458987  0.75805352
   0.19469472  1.10457339  0.17835546
   0.25124042  1.10962252  0.04438826
   0.65988827  0.35120215  0.84141051
   0.93791756  0.48277197  0.66386259
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950864    0.505391   -0.249534
    -0.000000    9.961721   -0.078435
    -0.000000    0.000000   13.892739
   Si   O    H 
    32    64    10
Direct configuration=  2201
   0.14581243  0.18095706 -0.02587634
   0.33883496  0.08156021  0.37215728
   0.13115021  0.42563901  0.11936581
   0.37810047  0.33582452  0.24934262
   0.07743476  0.15721901  0.49538786
   0.38786895  0.12376836  0.85495526
   0.14680852  0.40716531  0.62196933
   0.38853223  0.36298768  0.74626443
   0.14284168  0.67629752 -0.00751714
   0.42419001  0.59286957  0.35434424
   0.08924996  0.89412134  0.13219338
   0.33713623  0.82588792  0.23888272
   0.19325274  0.64290067  0.48804878
   0.39397914  0.61890578  0.85897340
   0.08803133  0.90154254  0.60664958
   0.36110262  0.96356564  0.68752813
   0.61551916  0.13642348  1.00549631
   0.83153780  0.11540009  0.34225525
   0.60402941  0.40073249  0.11887930
   0.89265241  0.28583331  0.16321120
   0.59802230  0.17232147  0.47747484
   0.87926744  0.09706192  0.87593131
   0.62030589  0.43025539  0.60709367
   0.78227954  0.35227720  0.78361320
   0.62517238  0.65120736 -0.00286119
   0.90913374  0.60018320  0.38533091
   0.59231624  0.88819972  0.12108727
   0.83743894  0.83050579  0.24478180
   0.64252019  0.65965140  0.47341411
   0.88146771  0.61765825  0.87679110
   0.62540197  0.92795313  0.61728944
   0.84193529  0.85942313  0.74088448
   0.10475720  0.05211999  0.17092328
   0.34148177  0.18756029  0.28186614
   0.12695050  0.32950082  0.02588427
   0.34668406  0.44002766  0.34093002
   0.52611765  0.36746587  0.21177278
   0.27577540  0.39083585  0.16385345
   0.20622692  0.10155445  0.43823012
  -0.03951897  0.15744799  0.40865403
   0.03696454  0.04626389  0.56476059
   0.45915602  0.22207893  0.78236763
   0.09841323  0.30800721  0.53623111
   0.36557798  0.45966917  0.83878120
   0.49243400  0.42209679  0.66851541
   0.25257502  0.32199904  0.68753055
   0.23537149  0.18205931 -0.12105954
   0.00503295  0.11172207  0.95161903
   0.11757489  0.58274270  0.08648427
   0.39366467  0.66873770  0.25552397
   0.13825996  0.83606954  0.02791735
   0.33803588  0.93254139  0.32157744
   0.44282932  0.88112594  0.16268186
   0.17322210  0.81101859  0.21517017
   0.33444631  0.68818003  0.44391874
   0.07343022  0.59792020  0.41184206
   0.22485750  0.52852709  0.57109351
   0.36321246  0.70453840  0.75848515
   0.11374886  0.77881433  0.52671328
   0.38018367  0.97570229  0.79991889
   0.47395124  0.86637611  0.62943053
   0.21494914  0.89723951  0.68062863
   0.29554694  0.65495153 -0.04483249
   0.04641162  0.63528976  0.90550662
   0.63266127  0.04260692  0.10990815
   0.84365126  0.19064245  0.24407746
   0.57538113  0.29559308  0.03010646
   0.86178386  0.44315673  0.36089767
   0.02183975  0.36609925  0.19167991
   0.76243745  0.38835918  0.15343391
   0.69837626  0.16675487  0.39185373
   0.46334227  0.10191898  0.44226670
   0.64807809  0.08108672  0.57519266
   0.87013221  0.21787727  0.79125967
   0.61338199  0.32548405  0.51350478
   0.87213060  0.46245661  0.84223928
   1.02488909  0.45796150  0.68945390
   0.75154719  0.39463326  0.67006058
   0.74911134  0.10679927  0.94772449
   0.48118820  0.10102271  0.95116589
   0.57033683  0.54711706  0.07099867
   0.88740508  0.69203059  0.28938371
   0.60038857  0.80878177  0.01605440
   0.84159939  0.95411303  0.32094396
   0.93404503  0.87530750  0.16416962
   0.68868292  0.80306779  0.19698723
   0.80807404  0.66303223  0.45921851
   0.57797380  0.55732809  0.38708512
   0.59476687  0.59627946  0.57443966
   0.82771997  0.71493570  0.79279252
   0.56697234  0.81042466  0.43997031
   0.90769581  0.94546456  0.83193937
   0.95349237  0.84013007  0.66113018
   0.68442979  0.91265374  0.72783106
   0.78286161  0.62752590  0.96877884
   0.55068178  0.62042053  0.89118606
   0.72193057  0.83237725  0.56146926
   0.46913674  0.80280807  0.44245237
   0.90830839  0.18931832  0.08410298
   0.93062751  0.37957583  0.34546222
   0.38728745  0.09701802  0.64539806
   0.28249746  0.74713819  0.75692200
   0.18832191  1.10486363  0.17734332
   0.24805787  1.11039386  0.04569036
   0.66058408  0.34787601  0.83776836
   0.94584215  0.48533732  0.66349211
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948898    0.502223   -0.251707
    -0.000000    9.960242   -0.078267
    -0.000000    0.000000   13.892643
   Si   O    H 
    32    64    10
Direct configuration=  2202
   0.14455461  0.18193789 -0.02479170
   0.33752316  0.08182278  0.37179322
   0.13160530  0.42569853  0.11937384
   0.37750969  0.33516021  0.24874373
   0.07721170  0.15678708  0.49506504
   0.38769000  0.12531224  0.85392109
   0.14705623  0.40719125  0.62152912
   0.38736425  0.36256514  0.74618751
   0.14313849  0.67747115 -0.00869366
   0.42521705  0.59305586  0.35534698
   0.08739379  0.89353433  0.13212679
   0.33737160  0.82487305  0.23879429
   0.19265128  0.64310670  0.48751036
   0.39402743  0.61986584  0.85813603
   0.08822678  0.90218963  0.60589864
   0.36096919  0.96398071  0.68723798
   0.61473480  0.13637191  1.00584988
   0.83025399  0.11612701  0.34134716
   0.60465070  0.40075972  0.11909525
   0.89223109  0.28578204  0.16396392
   0.59695102  0.17314996  0.47737426
   0.87999640  0.09644569  0.87575279
   0.62164522  0.43050163  0.60677443
   0.78201733  0.35193765  0.78363752
   0.62457172  0.65340621 -0.00226040
   0.90893371  0.59994892  0.38583866
   0.59345462  0.88887931  0.12168079
   0.83577075  0.83041246  0.24459819
   0.64083471  0.65905359  0.47329525
   0.88157318  0.61662823  0.87620146
   0.62489155  0.92789467  0.61778800
   0.84234357  0.85846691  0.74023900
   0.10314226  0.05289208  0.17008914
   0.34058671  0.18887744  0.28089183
   0.12756468  0.33016899  0.02459918
   0.34820117  0.44173968  0.34101588
   0.52423121  0.36546592  0.21095617
   0.27475457  0.39142603  0.16370778
   0.20786037  0.10253889  0.43885319
  -0.04036446  0.15722414  0.40839003
   0.03628274  0.04642427  0.56674177
   0.46090674  0.21967732  0.78260761
   0.09880306  0.30760937  0.53682572
   0.36598256  0.45905112  0.83882041
   0.49291074  0.42295594  0.67007953
   0.25177097  0.32380518  0.68748147
   0.23705737  0.18293333 -0.12157457
   0.00399012  0.11429434  0.95172652
   0.11865688  0.58259779  0.08722098
   0.39279276  0.66793198  0.25581829
   0.13702340  0.83428043  0.02820922
   0.33936928  0.93376446  0.32143191
   0.44444559  0.88130914  0.16352665
   0.17362773  0.81039413  0.21659878
   0.33574027  0.68808307  0.44291221
   0.07200214  0.59851161  0.41183550
   0.22649830  0.52871605  0.57122537
   0.36467706  0.70248733  0.75889057
   0.11544175  0.77893448  0.52708553
   0.37878845  0.97393991  0.79922652
   0.47480649  0.86609047  0.62778347
   0.21709464  0.89704004  0.68014512
   0.29437129  0.65496477 -0.04438406
   0.04553852  0.63618737  0.90628987
   0.63387292  0.04256027  0.10806282
   0.84407066  0.18781554  0.24426108
   0.57440773  0.29636563  0.02956719
   0.86240287  0.44437689  0.36179176
   0.02235731  0.36664356  0.19222629
   0.76116599  0.38883301  0.15289231
   0.69831309  0.16629068  0.39150329
   0.46326034  0.10218412  0.44349642
   0.64830403  0.07940114  0.57405641
   0.86913954  0.21738628  0.79143833
   0.61540868  0.32448436  0.51319733
   0.87250320  0.46254673  0.84274668
   1.02549230  0.45866944  0.69168656
   0.75162779  0.39474505  0.66808073
   0.74866608  0.10414673  0.94776545
   0.48137926  0.10253921  0.95207097
   0.57012064  0.54709250  0.07204967
   0.88903064  0.69095784  0.28920453
   0.60175974  0.80902737  0.01718410
   0.84190208  0.95591149  0.32014619
   0.93422546  0.87378729  0.16342752
   0.68936737  0.80246173  0.19620422
   0.80580625  0.66327238  0.45873218
   0.57902355  0.55690011  0.38575158
   0.59545077  0.59706377  0.57425696
   0.82754092  0.71435831  0.79427640
   0.56757902  0.80886640  0.44109105
   0.90695076  0.94637607  0.83297894
   0.95366515  0.84176529  0.66060241
   0.68598039  0.91215905  0.72747821
   0.78238767  0.62699689  0.96920543
   0.55155627  0.62113737  0.89238870
   0.71610336  0.83314379  0.55994575
   0.46695352  0.81180282  0.44337640
   0.91367356  0.19065834  0.08572909
   0.93493065  0.38297681  0.34246393
   0.38350176  0.09460122  0.64814538
   0.27470218  0.75255999  0.75465147
   0.17755389  1.09978715  0.17187014
   0.24014475  1.11053645  0.04458851
   0.65943001  0.34822823  0.83046454
   0.93376019  0.49115013  0.65852486
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947130    0.499178   -0.253721
    -0.000000    9.958708   -0.077780
    -0.000000    0.000000   13.892343
   Si   O    H 
    32    64    10
Direct configuration=  2203
   0.14369895  0.18303395 -0.02347532
   0.33607974  0.08188713  0.37155449
   0.13239546  0.42530928  0.11913088
   0.37705860  0.33514912  0.24829121
   0.07639342  0.15672827  0.49419467
   0.38712611  0.12639865  0.85286415
   0.14736909  0.40704996  0.62104510
   0.38686796  0.36208451  0.74620565
   0.14333086  0.67888520 -0.00971399
   0.42520557  0.59361433  0.35612532
   0.08587058  0.89321445  0.13249146
   0.33746446  0.82347398  0.23848111
   0.19144640  0.64319573  0.48702113
   0.39399488  0.62096613  0.85738141
   0.08825873  0.90254824  0.60545145
   0.36101845  0.96385958  0.68660080
   0.61349402  0.13733401  1.00655676
   0.82991657  0.11661054  0.34103254
   0.60539824  0.40034466  0.11910674
   0.89121256  0.28570136  0.16480566
   0.59623081  0.17368612  0.47744760
   0.88013978  0.09657925  0.87555080
   0.62247319  0.43077323  0.60589476
   0.78248197  0.35227947  0.78350058
   0.62439788  0.65540295 -0.00232573
   0.90908620  0.59994575  0.38606219
   0.59417792  0.88939845  0.12251789
   0.83416940  0.83035199  0.24436363
   0.63909760  0.65834112  0.47310646
   0.88127400  0.61538694  0.87592932
   0.62511025  0.92752348  0.61851917
   0.84219928  0.85768927  0.73999689
   0.10033604  0.05247638  0.16877271
   0.33927442  0.18921360  0.27965465
   0.12759379  0.33037280  0.02309044
   0.35022995  0.44392937  0.34087547
   0.52214170  0.36338681  0.21053970
   0.27445213  0.39161263  0.16363517
   0.20967811  0.10299672  0.43957518
  -0.04128719  0.15690219  0.40827243
   0.03550345  0.04525785  0.56870116
   0.46319648  0.21717506  0.78271471
   0.09898362  0.30741379  0.53729508
   0.36650565  0.45839815  0.83926580
   0.49312774  0.42338406  0.67221388
   0.25088121  0.32565883  0.68769727
   0.23921114  0.18413559 -0.12191898
   0.00264826  0.11679256  0.95247475
   0.11997031  0.58291798  0.08776403
   0.39212129  0.66684999  0.25659106
   0.13554534  0.83310385  0.02895558
   0.34087479  0.93473581  0.32186852
   0.44551637  0.88163133  0.16370121
   0.17498629  0.80930886  0.21796507
   0.33666141  0.68793643  0.44171512
   0.07118538  0.59916405  0.41223259
   0.22842838  0.52841940  0.57112308
   0.36593407  0.69967705  0.75926304
   0.11721620  0.77853118  0.52734520
   0.37792875  0.97237961  0.79855562
   0.47559373  0.86651194  0.62606146
   0.21899152  0.89700867  0.67959288
   0.29343479  0.65502260 -0.04395159
   0.04393641  0.63635002  0.90723456
   0.63545396  0.04251910  0.10629781
   0.84453388  0.18552390  0.24415109
   0.57353080  0.29762991  0.02910463
   0.86360701  0.44549449  0.36271750
   0.02311760  0.36800970  0.19259593
   0.76073009  0.38939832  0.15254071
   0.69786167  0.16549194  0.39133419
   0.46356727  0.10191903  0.44436325
   0.64811772  0.07877873  0.57343448
   0.86838020  0.21661382  0.79164123
   0.61657153  0.32409211  0.51303752
   0.87256222  0.46230730  0.84314984
   1.02463993  0.45981647  0.69376112
   0.75258375  0.39475340  0.66682852
   0.74790821  0.10228979  0.94733074
   0.48080653  0.10383734  0.95254611
   0.57060426  0.54677474  0.07333450
   0.89028502  0.68983262  0.28903920
   0.60259062  0.80977223  0.01852162
   0.84219972  0.95698122  0.31918646
   0.93518827  0.87132352  0.16206820
   0.69056032  0.80218292  0.19589048
   0.80270843  0.66378443  0.45824311
   0.58017903  0.55616862  0.38438891
   0.59645162  0.59737591  0.57445768
   0.82675984  0.71482946  0.79538662
   0.56814161  0.80773631  0.44227794
   0.90635438  0.94797481  0.83409272
   0.95449398  0.84347675  0.65992870
   0.68721846  0.91186115  0.72720294
   0.78139119  0.62747425  0.96983281
   0.55170517  0.62255533  0.89273028
   0.71280723  0.83700991  0.55827591
   0.47098036  0.82161596  0.44355669
   0.91457275  0.19177486  0.08548615
   0.93794748  0.38246091  0.33985780
   0.37835980  0.09578836  0.64761165
   0.27220711  0.75531622  0.75350349
   0.18291942  1.10418658  0.16683552
   0.22882710  1.11190656  0.04452111
   0.65450198  0.34943109  0.82676223
   0.92914946  0.49327355  0.65599502
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945734    0.496147   -0.254925
    -0.000000    9.957863   -0.077776
    -0.000000    0.000000   13.892554
   Si   O    H 
    32    64    10
Direct configuration=  2204
   0.14296578  0.18351507 -0.02286059
   0.33537180  0.08271208  0.37154802
   0.13300583  0.42523210  0.11888715
   0.37657802  0.33596897  0.24757282
   0.07515168  0.15687534  0.49312640
   0.38655627  0.12756399  0.85227181
   0.14711860  0.40720277  0.62068313
   0.38688826  0.36198873  0.74659408
   0.14333563  0.67998293 -0.01012689
   0.42461077  0.59324006  0.35679113
   0.08460950  0.89308534  0.13342029
   0.33780500  0.82239198  0.23811487
   0.19049287  0.64361002  0.48661815
   0.39396339  0.62218206  0.85722587
   0.08683715  0.90242779  0.60505926
   0.36123244  0.96338192  0.68557139
   0.61263009  0.13826331  1.00770764
   0.82963837  0.11700687  0.34094438
   0.60591695  0.40099602  0.11876793
   0.89036670  0.28585244  0.16523811
   0.59572750  0.17305194  0.47748597
   0.87975611  0.09713641  0.87524359
   0.62239731  0.43066947  0.60517011
   0.78266215  0.35272940  0.78359398
   0.62421075  0.65747742 -0.00235751
   0.91014162  0.59926182  0.38656634
   0.59446945  0.89007281  0.12306062
   0.83320213  0.83104176  0.24427575
   0.63799163  0.65771531  0.47282138
   0.88141135  0.61398693  0.87584243
   0.62583205  0.92731620  0.61903665
   0.84257009  0.85686799  0.74024846
   0.09828202  0.05158032  0.16795011
   0.33836093  0.18916320  0.27797319
   0.12678326  0.33076994  0.02183218
   0.35289464  0.44651027  0.34131829
   0.52012891  0.36099805  0.20996534
   0.27469636  0.39192897  0.16366946
   0.21129177  0.10256375  0.43994808
  -0.04266187  0.15646851  0.40815486
   0.03452096  0.04417235  0.57006930
   0.46570910  0.21526183  0.78301351
   0.09936663  0.30669764  0.53710842
   0.36660138  0.45821957  0.83952052
   0.49277744  0.42392165  0.67329675
   0.25121236  0.32701203  0.68783491
   0.24140709  0.18495135 -0.12185821
   0.00126799  0.11859358  0.95283465
   0.12131915  0.58316681  0.08814441
   0.39154272  0.66614743  0.25704699
   0.13427432  0.83212505  0.02981570
   0.34235937  0.93582301  0.32268184
   0.44611796  0.88206108  0.16325492
   0.17634416  0.80827958  0.21911771
   0.33728235  0.68713734  0.44056839
   0.07094062  0.59935626  0.41218863
   0.23018659  0.52818819  0.57118211
   0.36617126  0.69742806  0.75956073
   0.11845524  0.77838981  0.52780010
   0.37809416  0.97062843  0.79797779
   0.47613314  0.86725316  0.62447777
   0.21973093  0.89740848  0.67879938
   0.29312438  0.65502977 -0.04376443
   0.04146979  0.63677726  0.90780722
   0.63615605  0.04312305  0.10464770
   0.84502642  0.18288996  0.24383032
   0.57290968  0.29918604  0.02811221
   0.86483535  0.44722384  0.36301244
   0.02417071  0.36965928  0.19276962
   0.76078914  0.39046918  0.15198491
   0.69672788  0.16506236  0.39121222
   0.46290152  0.10286634  0.44476468
   0.64739378  0.07849959  0.57254352
   0.86785614  0.21528709  0.79183585
   0.61706252  0.32396922  0.51314466
   0.87231596  0.46155905  0.84363188
   1.02381664  0.46090323  0.69556743
   0.75442433  0.39522703  0.66591848
   0.74689284  0.10053099  0.94697155
   0.47971951  0.10435700  0.95254913
   0.57058254  0.54680377  0.07486862
   0.89159884  0.68958381  0.28880458
   0.60368477  0.81134507  0.01979756
   0.84196474  0.95764668  0.31864535
   0.93587020  0.86861337  0.16047678
   0.69212879  0.80175355  0.19545954
   0.79935775  0.66439985  0.45772585
   0.58162414  0.55569150  0.38292348
   0.59762938  0.59772076  0.57426942
   0.82635415  0.71536591  0.79581728
   0.56894266  0.80672486  0.44347927
   0.90516990  0.94929952  0.83432893
   0.95463108  0.84525278  0.65979185
   0.68843573  0.91151250  0.72708581
   0.78171006  0.62821379  0.97037755
   0.55179470  0.62471104  0.89309514
   0.70764333  0.84084166  0.55759811
   0.47456594  0.82800206  0.44445386
   0.91763059  0.19210776  0.08491037
   0.93600557  0.38607380  0.33823538
   0.37096620  0.09990780  0.64783602
   0.28099632  0.74882678  0.75470487
   0.18627114  1.10685771  0.16211882
   0.22199833  1.10486459  0.04520834
   0.64944981  0.35099455  0.82430664
   0.93727444  0.49168537  0.65701152
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944879    0.493324   -0.256022
    -0.000000    9.956587   -0.077293
    -0.000000    0.000000   13.892868
   Si   O    H 
    32    64    10
Direct configuration=  2205
   0.14299563  0.18416269 -0.02288860
   0.33426308  0.08392202  0.37160603
   0.13326355  0.42568681  0.11895339
   0.37542509  0.33720495  0.24689927
   0.07427005  0.15711626  0.49210837
   0.38615483  0.12814816  0.85162945
   0.14637827  0.40715725  0.62027116
   0.38736879  0.36135553  0.74707999
   0.14279952  0.68130539 -0.01032765
   0.42357825  0.59311725  0.35789209
   0.08343628  0.89273999  0.13464827
   0.33815484  0.82161840  0.23812170
   0.19002876  0.64454429  0.48618457
   0.39354785  0.62276947  0.85690041
   0.08499635  0.90173442  0.60445274
   0.36212884  0.96288238  0.68435576
   0.61197099  0.13896673  1.00873434
   0.82905366  0.11742500  0.34096131
   0.60620552  0.40162296  0.11826823
   0.88974710  0.28606464  0.16512030
   0.59540559  0.17238422  0.47730938
   0.87859302  0.09824970  0.87478720
   0.62172045  0.43114119  0.60467078
   0.78261720  0.35294479  0.78354232
   0.62428336  0.65873269 -0.00215842
   0.91103288  0.59851986  0.38679550
   0.59454669  0.89023453  0.12387570
   0.83273610  0.83204122  0.24373961
   0.63639893  0.65657032  0.47245640
   0.88175641  0.61262868  0.87596331
   0.62665291  0.92683724  0.61929809
   0.84306042  0.85571171  0.74077679
   0.09786802  0.05162703  0.16766137
   0.33706918  0.18921788  0.27651833
   0.12540738  0.33101446  0.01992956
   0.35486150  0.44833392  0.34164493
   0.51880598  0.35963219  0.20909036
   0.27582098  0.39250559  0.16394645
   0.21276321  0.10183799  0.44020603
  -0.04371587  0.15617469  0.40856762
   0.03346843  0.04400069  0.57071926
   0.46666790  0.21415061  0.78283271
   0.09954698  0.30568294  0.53669221
   0.36665567  0.45800206  0.83984748
   0.49214058  0.42387426  0.67426712
   0.25271497  0.32776846  0.68811361
   0.24281900  0.18648674 -0.12130394
  -0.00001618  0.11999162  0.95293211
   0.12153729  0.58298124  0.08770694
   0.39131718  0.66557352  0.25686285
   0.13310410  0.83182354  0.03140015
   0.34408922  0.93696537  0.32406474
   0.44591068  0.88240954  0.16296155
   0.17829942  0.80717541  0.22018421
   0.33741926  0.68654153  0.43947475
   0.07003212  0.59817378  0.41230184
   0.23178527  0.52852646  0.57120820
   0.36656488  0.69478474  0.75921758
   0.11933997  0.77897346  0.52828767
   0.37829695  0.96927721  0.79771351
   0.47620493  0.86864560  0.62356335
   0.22051849  0.89822795  0.67779898
   0.29392463  0.65470647 -0.04352899
   0.03910126  0.63705548  0.90750256
   0.63732205  0.04438986  0.10365184
   0.84593172  0.18183385  0.24289060
   0.57261399  0.30049269  0.02745760
   0.86650226  0.44839773  0.36328628
   0.02419803  0.37112270  0.19323587
   0.76096132  0.39213756  0.15150876
   0.69548942  0.16434965  0.39118700
   0.46231462  0.10369457  0.44520872
   0.64673722  0.07848490  0.57200042
   0.86791380  0.21347528  0.79184783
   0.61790066  0.32391952  0.51372230
   0.87184415  0.46130593  0.84368786
   1.02290014  0.46234881  0.69632635
   0.75652234  0.39568800  0.66533065
   0.74582778  0.09982054  0.94631016
   0.47814282  0.10555526  0.95237755
   0.57072158  0.54733294  0.07680123
   0.89214745  0.68899939  0.28828561
   0.60422624  0.81276663  0.02079405
   0.84253778  0.95857603  0.31814516
   0.93551700  0.86580831  0.15933442
   0.69420927  0.80099359  0.19431401
   0.79585559  0.66551465  0.45727135
   0.58299265  0.55615171  0.38208256
   0.59877927  0.59721445  0.57435274
   0.82593390  0.71600502  0.79622980
   0.56985859  0.80556378  0.44399683
   0.90346278  0.95008928  0.83405002
   0.95377719  0.84685435  0.65959999
   0.68875884  0.91108745  0.72725270
   0.78214549  0.62916188  0.97117453
   0.55121284  0.62660248  0.89341393
   0.70417093  0.84079468  0.55587784
   0.47546926  0.83345010  0.44431797
   0.92154016  0.19388419  0.08685111
   0.93595956  0.38778925  0.33749306
   0.36073122  0.10188824  0.64666861
   0.28592901  0.74428710  0.75577436
   0.18147770  1.10570529  0.15841579
   0.21963748  1.09590964  0.04589858
   0.64280454  0.35485226  0.82395250
   0.94930814  0.48508158  0.65818816
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943981    0.490958   -0.256644
    -0.000000    9.955219   -0.077267
    -0.000000    0.000000   13.893556
   Si   O    H 
    32    64    10
Direct configuration=  2206
   0.14346390  0.18433019 -0.02291714
   0.33430534  0.08466596  0.37158553
   0.13410955  0.42645143  0.11902357
   0.37439080  0.33807718  0.24650571
   0.07334688  0.15742603  0.49116618
   0.38521512  0.12854370  0.85144756
   0.14605352  0.40780616  0.62027209
   0.38787086  0.35996754  0.74754528
   0.14176299  0.68198646 -0.01073694
   0.42214571  0.59256220  0.35912271
   0.08300673  0.89204125  0.13563153
   0.33824907  0.82134789  0.23848984
   0.19039165  0.64602406  0.48561234
   0.39314316  0.62242222  0.85678175
   0.08324341  0.90084637  0.60405999
   0.36349829  0.96233064  0.68270138
   0.61056033  0.14044850  1.00948908
   0.82933877  0.11752962  0.34166691
   0.60608367  0.40222022  0.11827521
   0.88969455  0.28630916  0.16482214
   0.59603542  0.17191762  0.47720529
   0.87646997  0.09884339  0.87460996
   0.62108379  0.43149721  0.60384945
   0.78287020  0.35328763  0.78368691
   0.62443012  0.65977258 -0.00202070
   0.91140505  0.59829897  0.38742045
   0.59417939  0.89029688  0.12455099
   0.83321059  0.83238219  0.24337115
   0.63479732  0.65501274  0.47167891
   0.88215701  0.61108102  0.87663763
   0.62724020  0.92654978  0.61929399
   0.84325752  0.85433791  0.74156285
   0.09860491  0.05275647  0.16722869
   0.33546568  0.18874898  0.27593317
   0.12424149  0.33187915  0.01780398
   0.35717221  0.44971354  0.34142319
   0.51751896  0.35817113  0.20760530
   0.27714660  0.39352286  0.16408874
   0.21423862  0.10159765  0.44052215
  -0.04526676  0.15667155  0.40918933
   0.03249494  0.04527547  0.57105843
   0.46714579  0.21408493  0.78241229
   0.09968784  0.30435988  0.53544454
   0.36655727  0.45780215  0.84013791
   0.49190122  0.42487571  0.67472681
   0.25355180  0.32867545  0.68829636
   0.24271991  0.18746423 -0.12064723
  -0.00065722  0.12144400  0.95205035
   0.12126446  0.58249449  0.08737984
   0.39093548  0.66491446  0.25679990
   0.13217056  0.83180749  0.03264893
   0.34561648  0.93736691  0.32592762
   0.44495144  0.88375231  0.16294485
   0.17997817  0.80626870  0.22072677
   0.33746778  0.68554040  0.43842105
   0.06903238  0.59695468  0.41234724
   0.23280225  0.52856123  0.57083582
   0.36721783  0.69190884  0.75844866
   0.11995242  0.78070245  0.52895437
   0.37839314  0.96839422  0.79836452
   0.47549132  0.86955115  0.62278895
   0.21969835  0.89890469  0.67715202
   0.29519986  0.65437177 -0.04342430
   0.03672169  0.63699228  0.90724063
   0.63727708  0.04519524  0.10364405
   0.84699328  0.18181248  0.24224825
   0.57284707  0.30124754  0.02690741
   0.86745118  0.44963916  0.36338124
   0.02464101  0.37223994  0.19324454
   0.76152548  0.39315610  0.15131519
   0.69431502  0.16371788  0.39062307
   0.46132047  0.10552990  0.44489495
   0.64506534  0.07881699  0.57148637
   0.86860620  0.21170486  0.79257874
   0.61856652  0.32410382  0.51428242
   0.87097249  0.46036521  0.84370028
   1.02276297  0.46357229  0.69652902
   0.75846159  0.39647839  0.66438981
   0.74457586  0.10009746  0.94568693
   0.47623221  0.10726604  0.95222203
   0.57099958  0.54828863  0.07827538
   0.89243875  0.68835933  0.28772769
   0.60425087  0.81485649  0.02168013
   0.84284815  0.95858760  0.31733724
   0.93425823  0.86380079  0.15828025
   0.69607145  0.80057613  0.19322278
   0.79327855  0.66610772  0.45625488
   0.58431038  0.55737544  0.38081448
   0.59980280  0.59624754  0.57388238
   0.82550457  0.71682060  0.79727378
   0.57090344  0.80409044  0.44471077
   0.90177175  0.95010849  0.83355177
   0.95320144  0.84789075  0.65936693
   0.68933829  0.91132039  0.72714713
   0.78269575  0.63034180  0.97168465
   0.54987534  0.62866867  0.89375868
   0.70196923  0.84341951  0.55565288
   0.47761387  0.83548113  0.44410784
   0.92457099  0.19696182  0.08564703
   0.93810981  0.38705802  0.33388929
   0.35112447  0.10266816  0.64465585
   0.27495146  0.74932114  0.75594321
   0.17323952  1.10016195  0.15491737
   0.21767259  1.08848624  0.04591568
   0.64357717  0.35698692  0.82200870
   0.94542064  0.48041234  0.65432605
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942830    0.488749   -0.257159
    -0.000000    9.953802   -0.077005
    -0.000000    0.000000   13.894060
   Si   O    H 
    32    64    10
Direct configuration=  2207
   0.14374422  0.18445345 -0.02316180
   0.33473543  0.08535123  0.37145144
   0.13533389  0.42707283  0.11908471
   0.37358020  0.33866146  0.24645692
   0.07312889  0.15716773  0.48984983
   0.38383692  0.12780653  0.85065052
   0.14564347  0.40893374  0.61989040
   0.38778948  0.35935782  0.74849554
   0.14078441  0.68229373 -0.01099693
   0.42087204  0.59163528  0.36034159
   0.08303028  0.89115440  0.13659933
   0.33883427  0.82183959  0.23895146
   0.19100163  0.64747888  0.48509867
   0.39211517  0.62181309  0.85711960
   0.08202083  0.89915115  0.60375670
   0.36493778  0.96152715  0.68129848
   0.60929385  0.14201560  1.00937093
   0.82969984  0.11789539  0.34212178
   0.60710094  0.40225578  0.11808504
   0.88959643  0.28685165  0.16425343
   0.59742059  0.17141998  0.47773722
   0.87483701  0.09906875  0.87457791
   0.62099774  0.43215591  0.60306551
   0.78235695  0.35395774  0.78352265
   0.62477064  0.66030813 -0.00215889
   0.91061385  0.59820631  0.38758686
   0.59396617  0.89061273  0.12542411
   0.83378538  0.83260477  0.24281437
   0.63261088  0.65349301  0.47051864
   0.88233095  0.60942309  0.87723264
   0.62757998  0.92575864  0.61909193
   0.84382321  0.85284346  0.74278879
   0.09894276  0.05298492  0.16663211
   0.33439593  0.18824041  0.27545807
   0.12350388  0.33352352  0.01591048
   0.35895766  0.45016563  0.34100257
   0.51676102  0.35776809  0.20623626
   0.27846230  0.39449335  0.16363340
   0.21429846  0.10185516  0.44148598
  -0.04650655  0.15707922  0.40998843
   0.03179371  0.04742012  0.57161054
   0.46740174  0.21484169  0.78140099
   0.09982638  0.30328455  0.53439478
   0.36661287  0.45826659  0.84034268
   0.49168533  0.42495661  0.67543881
   0.25396239  0.32904551  0.68884466
   0.24182848  0.18855664 -0.11964720
  -0.00024957  0.12261585  0.95109707
   0.12052123  0.58241853  0.08688686
   0.39117437  0.66456944  0.25603879
   0.13115141  0.83114598  0.03395868
   0.34668294  0.93699922  0.32764226
   0.44403051  0.88572666  0.16257105
   0.18128865  0.80570535  0.22135731
   0.33733047  0.68480786  0.43741690
   0.06826301  0.59533503  0.41264943
   0.23437243  0.52878890  0.57059236
   0.36623336  0.69028114  0.75764493
   0.11960489  0.78279618  0.52948902
   0.37894992  0.96778548  0.79918993
   0.47527051  0.87088559  0.62249749
   0.21796205  0.89989536  0.67656098
   0.29669798  0.65482247 -0.04339665
   0.03477315  0.63631164  0.90656322
   0.63705255  0.04578341  0.10433125
   0.84716747  0.18285057  0.24212820
   0.57346416  0.30145777  0.02644073
   0.86884095  0.45017211  0.36352574
   0.02495721  0.37248251  0.19276552
   0.76216924  0.39384792  0.15115168
   0.69284241  0.16246266  0.38964734
   0.46007549  0.10687931  0.44425672
   0.64377104  0.07991688  0.57094735
   0.86933579  0.21065197  0.79365960
   0.61860884  0.32503708  0.51441124
   0.87072947  0.45945744  0.84402845
   1.02282127  0.46464805  0.69593084
   0.76048471  0.39680727  0.66394550
   0.74336528  0.10049393  0.94450709
   0.47520246  0.10880374  0.95213971
   0.57080023  0.55037375  0.07974255
   0.89187169  0.68862328  0.28696376
   0.60437492  0.81652623  0.02205788
   0.84252838  0.95878270  0.31714986
   0.93250030  0.86214508  0.15665531
   0.69757382  0.80012466  0.19234507
   0.79049288  0.66592642  0.45524958
   0.58627197  0.55813246  0.37991705
   0.60042974  0.59546076  0.57394264
   0.82522234  0.71664666  0.79809986
   0.57177165  0.80294589  0.44518494
   0.90059324  0.94999652  0.83238879
   0.95255057  0.84874937  0.65934554
   0.68990367  0.91206553  0.72636935
   0.78389797  0.63167749  0.97226373
   0.54885357  0.63016531  0.89385533
   0.70192461  0.84440794  0.55462444
   0.47972841  0.83769530  0.44293799
   0.92786472  0.20387261  0.08250580
   0.93879793  0.39117617  0.33356823
   0.34008165  0.10651035  0.64168643
   0.27361688  0.75086622  0.75517273
   0.17644688  1.09898203  0.15145256
   0.21335676  1.08708880  0.04340752
   0.64849690  0.35720962  0.82145946
   0.93763962  0.47846906  0.64788498
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942011    0.487004   -0.257525
    -0.000000    9.952496   -0.076391
    -0.000000    0.000000   13.894507
   Si   O    H 
    32    64    10
Direct configuration=  2208
   0.14370375  0.18440253 -0.02287805
   0.33570561  0.08654014  0.37104373
   0.13692959  0.42690008  0.11887222
   0.37291040  0.33962951  0.24667035
   0.07336083  0.15662666  0.48878262
   0.38239442  0.12610426  0.84997832
   0.14530968  0.40971438  0.61938087
   0.38762622  0.35858189  0.74962451
   0.13986709  0.68212423 -0.01140521
   0.42004023  0.59108753  0.36132716
   0.08275827  0.89010520  0.13785777
   0.33851694  0.82284948  0.23954460
   0.19152754  0.64888731  0.48432255
   0.39213552  0.62101987  0.85732921
   0.08087748  0.89756208  0.60399526
   0.36551396  0.96139575  0.68040016
   0.60843326  0.14331584  1.00967440
   0.83012971  0.11768477  0.34261421
   0.60805483  0.40296138  0.11807765
   0.88957641  0.28740437  0.16362684
   0.59940959  0.17040601  0.47814594
   0.87286278  0.09867882  0.87470319
   0.62039854  0.43285175  0.60256451
   0.78205452  0.35509942  0.78369767
   0.62499776  0.66091012 -0.00212954
   0.90947798  0.59824724  0.38754409
   0.59411083  0.89125178  0.12624208
   0.83467206  0.83239798  0.24219045
   0.63073785  0.65198172  0.46895257
   0.88244798  0.60819697  0.87744028
   0.62782035  0.92488906  0.61915095
   0.84415328  0.85209966  0.74434623
   0.09876904  0.05269952  0.16615996
   0.33302966  0.18751363  0.27516272
   0.12236024  0.33526223  0.01454228
   0.36033884  0.45002987  0.34054335
   0.51672976  0.35701050  0.20556002
   0.27969669  0.39506362  0.16278262
   0.21349440  0.10267889  0.44290043
  -0.04849810  0.15803621  0.41098163
   0.03094309  0.04914124  0.57188289
   0.46719457  0.21586150  0.78050614
   0.10027577  0.30334394  0.53379762
   0.36620957  0.45956975  0.84082049
   0.49177777  0.42538552  0.67619040
   0.25441447  0.32890480  0.68901098
   0.23984388  0.19053512 -0.11901812
   0.00036213  0.12401262  0.95036612
   0.12017396  0.58227637  0.08635784
   0.39162122  0.66445639  0.25540405
   0.12916687  0.83059163  0.03510307
   0.34741870  0.93674989  0.32923162
   0.44303154  0.88686189  0.16254858
   0.18255202  0.80543278  0.22096581
   0.33660353  0.68399194  0.43696168
   0.06840474  0.59412552  0.41250977
   0.23553216  0.52867691  0.57007599
   0.36448732  0.69021072  0.75680042
   0.11937744  0.78398949  0.53044657
   0.37885430  0.96695951  0.80003952
   0.47485083  0.87255059  0.62253724
   0.21603243  0.90037825  0.67648246
   0.29780738  0.65469836 -0.04362983
   0.03307335  0.63574658  0.90546810
   0.63642394  0.04657995  0.10471517
   0.84747782  0.18462591  0.24208061
   0.57421156  0.30217124  0.02577704
   0.86946260  0.45106174  0.36420696
   0.02482390  0.37269659  0.19221975
   0.76261875  0.39475335  0.15056281
   0.69205190  0.16118659  0.38850039
   0.45870177  0.10838091  0.44248283
   0.64268095  0.08105611  0.57145103
   0.87055758  0.20975574  0.79436783
   0.61852474  0.32558858  0.51427863
   0.87091871  0.45872537  0.84452261
   1.02188463  0.46576798  0.69451145
   0.76217381  0.39681309  0.66293020
   0.74250604  0.10139347  0.94280076
   0.47489506  0.11012437  0.95231060
   0.56996271  0.55328838  0.08102704
   0.89194450  0.68866066  0.28640523
   0.60417986  0.81849774  0.02234959
   0.84167156  0.95834672  0.31680596
   0.92991388  0.86088029  0.15507310
   0.69796493  0.80025170  0.19094721
   0.78845588  0.66510693  0.45460353
   0.58721428  0.55915386  0.37898087
   0.60062114  0.59480337  0.57387828
   0.82493225  0.71617386  0.79881809
   0.57263728  0.80189685  0.44581367
   0.90097463  0.94965227  0.83094049
   0.95184745  0.84970325  0.65953161
   0.69083300  0.91273741  0.72588973
   0.78476520  0.63303666  0.97258872
   0.54732377  0.63198089  0.89427003
   0.70517586  0.84250744  0.55529714
   0.47917365  0.84076960  0.44232798
   0.92542264  0.20945737  0.07903750
   0.93221705  0.39680692  0.33274205
   0.32900906  0.10663018  0.63929647
   0.28440942  0.74480425  0.75234425
   0.18494612  1.10118533  0.15015324
   0.21217624  1.08913215  0.04138512
   0.65168542  0.35798696  0.82420334
   0.93868216  0.47404135  0.64768146
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941122    0.485296   -0.258645
    -0.000000    9.951119   -0.075692
    -0.000000    0.000000   13.895206
   Si   O    H 
    32    64    10
Direct configuration=  2209
   0.14351774  0.18386767 -0.02298423
   0.33634958  0.08779931  0.37086679
   0.13815177  0.42661407  0.11841419
   0.37237828  0.34063175  0.24728896
   0.07370917  0.15560204  0.48738040
   0.38139806  0.12349361  0.84956405
   0.14552447  0.41017841  0.61869753
   0.38726529  0.35830942  0.75069335
   0.13952009  0.68140818 -0.01221242
   0.41917311  0.59040037  0.36200972
   0.08293912  0.88875526  0.13943212
   0.33863880  0.82372996  0.23989326
   0.19157493  0.65049488  0.48433862
   0.39227896  0.61944005  0.85772155
   0.08021814  0.89621842  0.60409728
   0.36598552  0.96055627  0.67943017
   0.60737513  0.14483459  1.00930576
   0.83079312  0.11703610  0.34265508
   0.60820938  0.40342777  0.11748648
   0.88994792  0.28786251  0.16256320
   0.60123344  0.16982727  0.47850480
   0.87143156  0.09809203  0.87481703
   0.61988846  0.43347369  0.60215586
   0.78209746  0.35537389  0.78364037
   0.62602964  0.66162612 -0.00189762
   0.90751655  0.59894542  0.38712790
   0.59413349  0.89157164  0.12663841
   0.83664005  0.83202314  0.24138077
   0.62930728  0.65022269  0.46740958
   0.88175892  0.60770998  0.87765629
   0.62820380  0.92425002  0.61904109
   0.84480421  0.85170677  0.74608890
   0.09968445  0.05185881  0.16584722
   0.33167204  0.18761790  0.27479816
   0.12188018  0.33668894  0.01378601
   0.36124364  0.44920063  0.33993245
   0.51671487  0.35677790  0.20506843
   0.28057097  0.39592737  0.16208234
   0.21221739  0.10414645  0.44401552
  -0.05028979  0.15940830  0.41216569
   0.02987570  0.05030153  0.57244487
   0.46622369  0.21723597  0.77969952
   0.10114609  0.30371611  0.53343918
   0.36563100  0.46160824  0.84096214
   0.49202174  0.42486870  0.67726638
   0.25426923  0.32929151  0.68907649
   0.23759963  0.19201400 -0.11886582
   0.00085052  0.12476957  0.94958228
   0.11966283  0.58168942  0.08549352
   0.39238065  0.66458293  0.25498483
   0.12745770  0.83082422  0.03633424
   0.34781605  0.93626385  0.33038667
   0.44190561  0.88779850  0.16226649
   0.18319315  0.80625780  0.21948541
   0.33563328  0.68353486  0.43656486
   0.06853688  0.59347426  0.41216968
   0.23610983  0.52930990  0.57005952
   0.36312602  0.68974804  0.75652261
   0.11930449  0.78462747  0.53083841
   0.37947650  0.96718207  0.80104945
   0.47391851  0.87375974  0.62249799
   0.21403711  0.90073563  0.67701309
   0.29898427  0.65451054 -0.04436669
   0.03154244  0.63561582  0.90433693
   0.63586374  0.04794931  0.10463569
   0.84708789  0.18589481  0.24204077
   0.57535498  0.30232932  0.02489609
   0.86973705  0.45124628  0.36524605
   0.02362846  0.37342375  0.19117334
   0.76342220  0.39547629  0.15027383
   0.69105365  0.16023639  0.38770098
   0.45883978  0.11020011  0.44112043
   0.64168845  0.08148253  0.57163775
   0.87149864  0.20970679  0.79422064
   0.61768328  0.32491017  0.51473044
   0.87108283  0.45728377  0.84487461
   1.02180833  0.46590369  0.69272221
   0.76349906  0.39674765  0.66246901
   0.74135169  0.10199502  0.94116850
   0.47422945  0.11109073  0.95242726
   0.56880939  0.55665030  0.08160423
   0.89222329  0.68853484  0.28640801
   0.60376262  0.82036434  0.02269563
   0.84170525  0.95753310  0.31661394
   0.92730171  0.85952103  0.15299589
   0.69748019  0.80074709  0.18999706
   0.78696977  0.66488321  0.45392541
   0.58837261  0.56004655  0.37787315
   0.60042215  0.59415948  0.57339127
   0.82456364  0.71497033  0.79914103
   0.57292571  0.80130589  0.44671420
   0.90154403  0.94878644  0.82955479
   0.95091125  0.84930802  0.66007604
   0.69157051  0.91379089  0.72523511
   0.78587642  0.63455476  0.97290146
   0.54523669  0.63481091  0.89466894
   0.71210520  0.83710666  0.55466586
   0.48284781  0.83914587  0.44093108
   0.92391179  0.21202293  0.07585492
   0.93800208  0.39171613  0.32801547
   0.32395533  0.09973248  0.64064449
   0.29086061  0.74380677  0.74785775
   0.18577267  1.09856049  0.15179176
   0.21419832  1.08839013  0.03903732
   0.65313378  0.35966503  0.82909026
   0.94408892  0.47151856  0.65218447
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940118    0.483617   -0.259520
    -0.000000    9.949495   -0.074535
    -0.000000    0.000000   13.895696
   Si   O    H 
    32    64    10
Direct configuration=  2210
   0.14369035  0.18313761 -0.02314380
   0.33663690  0.08901364  0.37110638
   0.13850414  0.42610757  0.11757072
   0.37203858  0.34198713  0.24763152
   0.07320056  0.15469617  0.48680312
   0.38024258  0.12079793  0.84963244
   0.14530033  0.41082641  0.61800499
   0.38657864  0.35790668  0.75134979
   0.13960625  0.68046776 -0.01300197
   0.41800080  0.58998002  0.36198240
   0.08294048  0.88789634  0.14093534
   0.33870876  0.82448239  0.24074689
   0.19095984  0.65215068  0.48392717
   0.39241224  0.61866915  0.85846825
   0.07927159  0.89540381  0.60475981
   0.36607640  0.96006108  0.67873831
   0.60625875  0.14617484  1.00866502
   0.83179430  0.11633670  0.34243562
   0.60796313  0.40378368  0.11666551
   0.88989967  0.28877231  0.16127318
   0.60235146  0.17015778  0.47890252
   0.87017626  0.09770531  0.87497583
   0.61893241  0.43423361  0.60204507
   0.78166521  0.35579217  0.78331995
   0.62752808  0.66208516 -0.00177096
   0.90554218  0.60070358  0.38608652
   0.59470003  0.89181813  0.12671045
   0.83887149  0.83146716  0.24135853
   0.62811439  0.64889632  0.46575898
   0.88076849  0.60790311  0.87822101
   0.62835507  0.92400261  0.61826900
   0.84578582  0.85153335  0.74790956
   0.10095207  0.05076918  0.16535492
   0.33018150  0.18794513  0.27463182
   0.12095203  0.33883775  0.01305773
   0.36179914  0.44804396  0.33900147
   0.51719581  0.35610599  0.20452249
   0.28148210  0.39671808  0.16135773
   0.21064131  0.10548380  0.44446698
  -0.05183165  0.16019665  0.41279210
   0.02981939  0.05055682  0.57269340
   0.46485466  0.21901794  0.77953848
   0.10225286  0.30443539  0.53389988
   0.36503122  0.46294870  0.84106045
   0.49190780  0.42530656  0.67757614
   0.25323354  0.32903778  0.68923796
   0.23511289  0.19306973 -0.11908908
   0.00149625  0.12507896  0.94853292
   0.11956397  0.58165130  0.08401258
   0.39357085  0.66535064  0.25505166
   0.12575329  0.83147764  0.03709625
   0.34779115  0.93530976  0.33147042
   0.44093969  0.88840073  0.16231836
   0.18390915  0.80722389  0.21768148
   0.33449418  0.68265867  0.43650125
   0.06933126  0.59319105  0.41149119
   0.23722581  0.52994328  0.56988668
   0.36300774  0.68898348  0.75618851
   0.12023647  0.78452830  0.53040453
   0.38039232  0.96696568  0.80197692
   0.47327988  0.87551535  0.62269653
   0.21291004  0.90018814  0.67749393
   0.29991306  0.65447074 -0.04530737
   0.03095528  0.63657813  0.90311608
   0.63516955  0.04926374  0.10473855
   0.84714032  0.18692142  0.24145877
   0.57570734  0.30229532  0.02453620
   0.86971328  0.45041700  0.36561695
   0.02294272  0.37452413  0.19036187
   0.76360579  0.39563405  0.14986063
   0.69046106  0.15968411  0.38641109
   0.45885433  0.11210868  0.43960080
   0.64006825  0.08139335  0.57208668
   0.87191010  0.21037876  0.79474128
   0.61634816  0.32407549  0.51487802
   0.87155175  0.45640712  0.84527028
   1.02248262  0.46656247  0.69051368
   0.76522641  0.39663390  0.66189495
   0.74037954  0.10233583  0.94008841
   0.47354153  0.11200487  0.95185056
   0.56833160  0.56027168  0.08195121
   0.89240553  0.68840656  0.28715856
   0.60370135  0.82179329  0.02320850
   0.84143556  0.95679039  0.31563074
   0.92497493  0.85775321  0.15084803
   0.69668288  0.80228127  0.18890976
   0.78658670  0.66530128  0.45280222
   0.58857720  0.56069338  0.37762460
   0.60093294  0.59315548  0.57281553
   0.82283218  0.71369466  0.79864633
   0.57325301  0.80008718  0.44741953
   0.90220443  0.94862740  0.82888792
   0.95015637  0.84873808  0.66042250
   0.69263972  0.91466279  0.72467946
   0.78655493  0.63615881  0.97284653
   0.54374376  0.63803541  0.89507092
   0.71952633  0.83312743  0.55809937
   0.48426095  0.83900387  0.44130762
   0.92074685  0.21444611  0.07391840
   0.93960793  0.39051464  0.32473603
   0.32355651  0.08856803  0.64218503
   0.27695486  0.75914095  0.73844504
   0.17829326  1.09258711  0.15562405
   0.21746573  1.08704084  0.03742576
   0.65183760  0.35897143  0.83277334
   0.93806590  0.47077673  0.65578992
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939289    0.481954   -0.260135
    -0.000000    9.948128   -0.073478
    -0.000000    0.000000   13.896312
   Si   O    H 
    32    64    10
Direct configuration=  2211
   0.14327558  0.18292596 -0.02305270
   0.33626333  0.09000184  0.37109354
   0.13786536  0.42533449  0.11618983
   0.37201367  0.34308752  0.24833453
   0.07274675  0.15374553  0.48696397
   0.37920236  0.11782648  0.84940004
   0.14606134  0.41142116  0.61720944
   0.38598285  0.35766627  0.75197685
   0.13986111  0.67895738 -0.01379340
   0.41715398  0.58958851  0.36137356
   0.08322032  0.88687636  0.14213760
   0.33885624  0.82553936  0.24225340
   0.18971543  0.65293638  0.48363808
   0.39235765  0.61811898  0.85965829
   0.07771163  0.89473503  0.60559509
   0.36635187  0.95968184  0.67851957
   0.60573765  0.14692604  1.00760083
   0.83232837  0.11569202  0.34218970
   0.60681224  0.40409559  0.11544866
   0.88956395  0.28894511  0.16031884
   0.60356172  0.17027445  0.47958918
   0.86956969  0.09668188  0.87522077
   0.61814650  0.43502622  0.60204876
   0.78069443  0.35657007  0.78264972
   0.62844678  0.66339029 -0.00174042
   0.90388129  0.60242415  0.38487635
   0.59472416  0.89262662  0.12684131
   0.84071622  0.83042520  0.24183711
   0.62829077  0.64729269  0.46474346
   0.87987163  0.60777369  0.87877134
   0.62866464  0.92427777  0.61713955
   0.84684322  0.85155515  0.74965107
   0.10101088  0.04912176  0.16491714
   0.32886195  0.18791903  0.27450508
   0.12097747  0.34073066  0.01243770
   0.36191892  0.44591864  0.33858585
   0.51803941  0.35558822  0.20374297
   0.28226671  0.39761948  0.16115503
   0.21089240  0.10565995  0.44475340
  -0.05346047  0.16123543  0.41332897
   0.03078070  0.05052419  0.57273905
   0.46338863  0.21981774  0.77945666
   0.10316121  0.30580868  0.53433464
   0.36404626  0.46404699  0.84139084
   0.49178550  0.42566592  0.67772268
   0.25203935  0.32950531  0.68934182
   0.23269115  0.19289312 -0.11997273
   0.00171367  0.12443485  0.94716253
   0.11955980  0.58171371  0.08242876
   0.39470613  0.66698823  0.25543962
   0.12455081  0.83256245  0.03789035
   0.34730493  0.93454426  0.33273906
   0.43880607  0.88824963  0.16248388
   0.18369600  0.80861221  0.21609611
   0.33346499  0.68198107  0.43706232
   0.07055686  0.59311522  0.41100489
   0.23774386  0.53100890  0.56949945
   0.36181215  0.68885132  0.75527255
   0.12056570  0.78417498  0.52918209
   0.38174857  0.96694590  0.80181114
   0.47251938  0.87674434  0.62204604
   0.21200992  0.89914490  0.67758370
   0.29945840  0.65387936 -0.04575953
   0.03068250  0.63746958  0.90290800
   0.63358031  0.05090179  0.10472803
   0.84733836  0.18796234  0.24083375
   0.57664504  0.30261092  0.02420577
   0.87028228  0.44869941  0.36538189
   0.02165934  0.37583156  0.19067817
   0.76388176  0.39599776  0.14980573
   0.69029943  0.15894984  0.38471640
   0.45970547  0.11297833  0.43811096
   0.63868868  0.08153642  0.57280315
   0.87254218  0.21150571  0.79527113
   0.61514169  0.32405344  0.51521037
   0.87199070  0.45518467  0.84571707
   1.02303061  0.46658687  0.68773895
   0.76719840  0.39679774  0.66145400
   0.73952263  0.10246211  0.93951778
   0.47144963  0.11297312  0.95107876
   0.56840539  0.56390892  0.08149353
   0.89214353  0.68888950  0.28819429
   0.60327947  0.82342567  0.02379386
   0.84180021  0.95584226  0.31517531
   0.92324378  0.85602425  0.14825453
   0.69517716  0.80344211  0.18814497
   0.78713916  0.66608603  0.45144386
   0.58836622  0.56099464  0.37706428
   0.60100431  0.59245705  0.57206511
   0.82130339  0.71216796  0.79840162
   0.57322260  0.79821644  0.44782234
   0.90331415  0.94774706  0.82831326
   0.94958284  0.84832705  0.66078244
   0.69317139  0.91573684  0.72431935
   0.78638699  0.63706889  0.97347052
   0.54333155  0.64094947  0.89471254
   0.72408538  0.83306516  0.56120312
   0.47805771  0.83862280  0.43802622
   0.91726561  0.21495082  0.07222123
   0.93551870  0.39815864  0.32312036
   0.32061421  0.08189055  0.64218354
   0.27856904  0.76363394  0.73227128
   0.18209336  1.09213864  0.15715140
   0.22219694  1.08675143  0.03535816
   0.64968030  0.35845500  0.83427702
   0.92505251  0.46985347  0.65905756
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938598    0.480957   -0.260144
    -0.000000    9.946616   -0.072501
    -0.000000    0.000000   13.896692
   Si   O    H 
    32    64    10
Direct configuration=  2212
   0.14305751  0.18228959 -0.02269110
   0.33543623  0.09056311  0.37069404
   0.13715293  0.42519669  0.11474438
   0.37189513  0.34404933  0.24887743
   0.07216676  0.15305445  0.48730917
   0.37768992  0.11517721  0.84893304
   0.14647703  0.41238668  0.61609032
   0.38613389  0.35745521  0.75206625
   0.14097344  0.67730029 -0.01462933
   0.41697104  0.58937797  0.36096210
   0.08278865  0.88599466  0.14310545
   0.33930863  0.82723457  0.24401262
   0.18809266  0.65324696  0.48361062
   0.39163200  0.61735698  0.86089745
   0.07568711  0.89439346  0.60621243
   0.36550648  0.95977804  0.67852442
   0.60619764  0.14657868  1.00651295
   0.83294254  0.11494206  0.34202859
   0.60630446  0.40417694  0.11392782
   0.88962105  0.28879417  0.15914818
   0.60481161  0.17034682  0.48030166
   0.86893434  0.09538323  0.87520690
   0.61695139  0.43557033  0.60235396
   0.77982138  0.35730562  0.78203051
   0.62969270  0.66513044 -0.00140521
   0.90214169  0.60441611  0.38344532
   0.59460233  0.89420275  0.12726056
   0.84228671  0.83019859  0.24230340
   0.62863430  0.64569010  0.46419482
   0.87879038  0.60785896  0.87883506
   0.62970801  0.92452284  0.61549554
   0.84764318  0.85184185  0.75150339
   0.10047600  0.04761672  0.16477859
   0.32794190  0.18671800  0.27483136
   0.12094540  0.34235062  0.01115917
   0.36076373  0.44339522  0.33816878
   0.51900386  0.35491809  0.20264358
   0.28320845  0.39774513  0.16078589
   0.21212582  0.10587767  0.44490296
  -0.05529225  0.16151946  0.41388817
   0.03174563  0.05069772  0.57305881
   0.46256063  0.22029478  0.78045233
   0.10415632  0.30628692  0.53534424
   0.36397692  0.46438245  0.84108419
   0.49170062  0.42582920  0.67804787
   0.25070895  0.32959435  0.68952820
   0.23090283  0.19322996 -0.12040438
   0.00131694  0.12425325  0.94584194
   0.11915162  0.58192588  0.08066934
   0.39558077  0.66882201  0.25565693
   0.12297396  0.83347919  0.03812812
   0.34662299  0.93305528  0.33415440
   0.43651800  0.88677338  0.16256899
   0.18274301  0.80989702  0.21519521
   0.33301537  0.68034501  0.43778232
   0.07117341  0.59263721  0.41061976
   0.23730993  0.53256811  0.56893142
   0.35980884  0.68986354  0.75377823
   0.12092519  0.78444378  0.52782837
   0.38343393  0.96671516  0.80174844
   0.47215660  0.87787731  0.62082733
   0.21029944  0.89797669  0.67765636
   0.29946438  0.65346610 -0.04652286
   0.03032858  0.63845565  0.90287426
   0.63250952  0.05343168  0.10478574
   0.84791302  0.18757800  0.24033903
   0.57757467  0.30347163  0.02425746
   0.87076775  0.44696471  0.36518173
   0.02069066  0.37695270  0.19148807
   0.76495251  0.39632034  0.14943885
   0.69014911  0.15841594  0.38305903
   0.46114972  0.11422058  0.43672067
   0.63696972  0.08088235  0.57317749
   0.87319514  0.21329620  0.79522265
   0.61363510  0.32367875  0.51550935
   0.87284559  0.45407574  0.84614742
   1.02341085  0.46634905  0.68514239
   0.76845314  0.39739111  0.66141168
   0.73845992  0.10286436  0.93916190
   0.46829638  0.11266081  0.95029753
   0.56913190  0.56701580  0.08098742
   0.89185360  0.68900731  0.28926258
   0.60276450  0.82457547  0.02435527
   0.84262064  0.95515214  0.31487926
   0.92220837  0.85464113  0.14639472
   0.69398958  0.80354159  0.18759304
   0.78784058  0.66700189  0.45023530
   0.58777467  0.56097746  0.37628556
   0.60143829  0.59244271  0.57118182
   0.81922414  0.70978690  0.79765533
   0.57215903  0.79735238  0.44795421
   0.90432539  0.94797937  0.82873562
   0.94818512  0.84705881  0.66099032
   0.69369860  0.91625477  0.72339704
   0.78628812  0.63730170  0.97394272
   0.54331891  0.64406221  0.89481728
   0.72283559  0.83561466  0.56653995
   0.47871190  0.83646838  0.43724532
   0.90865879  0.21475213  0.06892159
   0.92753925  0.40810047  0.32423778
   0.31671118  0.08735786  0.63997824
   0.29057962  0.76009635  0.72953869
   0.19306182  1.09812969  0.15690130
   0.22854275  1.08643537  0.03534617
   0.64669295  0.35772636  0.83370100
   0.92337746  0.46498707  0.66287018
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937825    0.479970   -0.259461
    -0.000000    9.945376   -0.072085
    -0.000000    0.000000   13.897216
   Si   O    H 
    32    64    10
Direct configuration=  2213
   0.14224516  0.18190983 -0.02212975
   0.33520590  0.09054433  0.37009261
   0.13624291  0.42473687  0.11311039
   0.37202431  0.34538654  0.24903321
   0.07101430  0.15272950  0.48784847
   0.37665593  0.11320964  0.84884288
   0.14735512  0.41327098  0.61562145
   0.38660258  0.35754207  0.75205643
   0.14172754  0.67547245 -0.01510361
   0.41720652  0.58859989  0.36039666
   0.08190543  0.88452746  0.14364649
   0.33968861  0.82911191  0.24561397
   0.18744645  0.65324904  0.48377283
   0.39081457  0.61681760  0.86244358
   0.07403906  0.89473220  0.60684320
   0.36431563  0.96062885  0.67862906
   0.60700613  0.14557668  1.00551031
   0.83364854  0.11373379  0.34144009
   0.60582412  0.40411003  0.11233881
   0.88970189  0.28819589  0.15830064
   0.60531087  0.17033410  0.48116695
   0.86753897  0.09435481  0.87548394
   0.61546304  0.43552196  0.60303007
   0.77903459  0.35815883  0.78153218
   0.62993911  0.66652754 -0.00118019
   0.90086563  0.60615741  0.38251299
   0.59417372  0.89642049  0.12766478
   0.84365566  0.83009880  0.24249842
   0.62922842  0.64457045  0.46376584
   0.87763614  0.60773110  0.87898173
   0.63092810  0.92461662  0.61410092
   0.84761433  0.85199783  0.75284826
   0.10029237  0.04740615  0.16477332
   0.32672624  0.18595841  0.27514844
   0.12154201  0.34412769  0.00998891
   0.36017733  0.44144989  0.33827135
   0.51931026  0.35479997  0.20136148
   0.28362129  0.39734900  0.16006836
   0.21395613  0.10530796  0.44532393
  -0.05645908  0.16160119  0.41440682
   0.03162481  0.05144430  0.57363277
   0.46110860  0.22023026  0.78181333
   0.10488248  0.30623252  0.53567263
   0.36407017  0.46397094  0.83972932
   0.49163484  0.42615444  0.67774893
   0.24964454  0.32949566  0.69035597
   0.22918088  0.19396622 -0.12148103
   0.00027482  0.12454377  0.94418992
   0.11894962  0.58244874  0.07854211
   0.39602789  0.67131487  0.25644544
   0.12130140  0.83377524  0.03821452
   0.34555597  0.93161824  0.33546167
   0.43492123  0.88682341  0.16287631
   0.18272816  0.81094603  0.21457115
   0.33298903  0.67887225  0.43835162
   0.07146637  0.59252959  0.41031540
   0.23660923  0.53398043  0.56815982
   0.35762281  0.69088038  0.75230413
   0.12130423  0.78441833  0.52698524
   0.38490022  0.96720126  0.80097417
   0.47206144  0.87869028  0.61966521
   0.20814901  0.89696266  0.67746728
   0.29896301  0.65394923 -0.04688247
   0.03011770  0.63940667  0.90242692
   0.63162576  0.05575888  0.10376064
   0.84923480  0.18679240  0.23992603
   0.57879833  0.30312281  0.02436397
   0.87056082  0.44693810  0.36562641
   0.02055960  0.37838531  0.19203589
   0.76583513  0.39628560  0.14944027
   0.69042993  0.15825214  0.38156378
   0.46261296  0.11611020  0.43612447
   0.63550143  0.08038153  0.57393085
   0.87213816  0.21507081  0.79519272
   0.61263405  0.32331302  0.51685978
   0.87384777  0.45294858  0.84571652
   1.02223504  0.46554984  0.68272371
   0.76905787  0.39775520  0.66138960
   0.73664898  0.10332226  0.93861023
   0.46537039  0.11244475  0.94985079
   0.56914520  0.57029594  0.08094239
   0.89198235  0.68931655  0.29024133
   0.60224192  0.82593080  0.02480793
   0.84355970  0.95462227  0.31454908
   0.92158466  0.85282862  0.14475783
   0.69322396  0.80327600  0.18751490
   0.78873829  0.66791663  0.44961119
   0.58670388  0.56094172  0.37490016
   0.60076569  0.59131218  0.57038901
   0.81739275  0.70711791  0.79729571
   0.57020832  0.79747481  0.44793159
   0.90662304  0.94892769  0.82913311
   0.94640317  0.84607996  0.66142351
   0.69370133  0.91715082  0.72270421
   0.78602286  0.63707092  0.97461381
   0.54333843  0.64663151  0.89521698
   0.72578860  0.83728976  0.56908073
   0.48322652  0.83204864  0.43616061
   0.90353685  0.21547884  0.06793548
   0.93742320  0.40712339  0.31513876
   0.31660650  0.09660978  0.63604627
   0.30543348  0.75353676  0.73099350
   0.19567812  1.09990372  0.15764407
   0.23468183  1.08734762  0.03770576
   0.64874719  0.35532942  0.82883474
   0.92614043  0.46172194  0.66492048
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936915    0.478156   -0.259045
    -0.000000    9.944342   -0.071730
    -0.000000    0.000000   13.897848
   Si   O    H 
    32    64    10
Direct configuration=  2214
   0.14206947  0.18181908 -0.02158391
   0.33506188  0.08997057  0.36981994
   0.13483776  0.42415610  0.11155914
   0.37264231  0.34609673  0.24953700
   0.06940230  0.15335337  0.48805814
   0.37561695  0.11223737  0.84916993
   0.14840517  0.41410760  0.61491179
   0.38719184  0.35791027  0.75158427
   0.14257137  0.67426591 -0.01514692
   0.41710832  0.58792785  0.35970723
   0.08078929  0.88353332  0.14387395
   0.33995798  0.83079019  0.24713549
   0.18646582  0.65292222  0.48410631
   0.38974225  0.61627631  0.86363770
   0.07234607  0.89556004  0.60735544
   0.36300869  0.96201813  0.67911370
   0.60843468  0.14410909  1.00425669
   0.83464136  0.11252541  0.34037804
   0.60591240  0.40430905  0.11030659
   0.89037318  0.28743291  0.15722930
   0.60529413  0.17048075  0.48150845
   0.86658685  0.09310490  0.87568590
   0.61459010  0.43520716  0.60373685
   0.77827783  0.35878291  0.78124533
   0.63003055  0.66742072 -0.00112031
   0.90004478  0.60676457  0.38187569
   0.59271001  0.89853603  0.12764006
   0.84420413  0.83016382  0.24231916
   0.62976915  0.64393640  0.46326886
   0.87646438  0.60743644  0.87951593
   0.63205813  0.92511114  0.61292583
   0.84694403  0.85218893  0.75344161
   0.10053245  0.04735214  0.16478543
   0.32521175  0.18608230  0.27544544
   0.12292492  0.34582650  0.00936235
   0.35892469  0.43967927  0.33876901
   0.51990799  0.35434637  0.20011353
   0.28354924  0.39753394  0.15884962
   0.21568590  0.10499012  0.44534462
  -0.05640232  0.16132939  0.41460451
   0.03153052  0.05213305  0.57381180
   0.46007062  0.21905891  0.78329393
   0.10547115  0.30521534  0.53571373
   0.36451834  0.46326716  0.83841889
   0.49105114  0.42663462  0.67764756
   0.24837259  0.32981639  0.69124615
   0.22795083  0.19376680 -0.12280284
  -0.00056846  0.12371615  0.94207948
   0.11890520  0.58209681  0.07725185
   0.39641833  0.67448683  0.25687442
   0.12051456  0.83347584  0.03795533
   0.34476764  0.93054138  0.33676735
   0.43369626  0.88651529  0.16313348
   0.18299966  0.81209116  0.21439844
   0.33328091  0.67839450  0.43906081
   0.07132538  0.59227171  0.40977799
   0.23560169  0.53560047  0.56727512
   0.35784511  0.69013509  0.75202662
   0.12043711  0.78595044  0.52706157
   0.38699378  0.96746815  0.80026651
   0.47284994  0.87964049  0.61800616
   0.20626134  0.89581124  0.67701322
   0.29811143  0.65485329 -0.04689307
   0.03006276  0.63937989  0.90172429
   0.63063855  0.05821757  0.10268103
   0.85042652  0.18664109  0.23952817
   0.57973251  0.30364851  0.02478183
   0.87017357  0.44689087  0.36596360
   0.02004287  0.38023614  0.19183243
   0.76602265  0.39699712  0.14917227
   0.69038939  0.15786014  0.38041410
   0.46448196  0.11877653  0.43559828
   0.63477645  0.07953476  0.57511940
   0.87127936  0.21688443  0.79471374
   0.61151569  0.32268873  0.51870153
   0.87417533  0.45208128  0.84494960
   1.02220121  0.46485589  0.68054832
   0.76979871  0.39830083  0.66212814
   0.73475677  0.10388025  0.93790891
   0.46336922  0.11302422  0.94966663
   0.56932625  0.57330198  0.08098804
   0.89117782  0.68952022  0.29087355
   0.60208758  0.82641361  0.02461029
   0.84456765  0.95361386  0.31467407
   0.92196518  0.85082887  0.14343885
   0.69326681  0.80292127  0.18816832
   0.78951407  0.66900445  0.44949818
   0.58489984  0.56049222  0.37326262
   0.59964561  0.59033101  0.56945942
   0.81593733  0.70489802  0.79644550
   0.56798276  0.79773525  0.44874307
   0.90844689  0.95104633  0.82959202
   0.94430797  0.84560056  0.66247060
   0.69442219  0.91754102  0.72233199
   0.78565903  0.63718921  0.97548452
   0.54271968  0.64892301  0.89578756
   0.72843529  0.83808825  0.56789547
   0.47836691  0.82867354  0.43416681
   0.89831108  0.21758802  0.06679367
   0.93933059  0.40856062  0.31114796
   0.32162212  0.10534201  0.63581509
   0.29287404  0.76943177  0.72463582
   0.18358319  1.09662736  0.15914046
   0.24037072  1.08664994  0.03718903
   0.65029375  0.35206462  0.82366662
   0.92879237  0.45671439  0.66467012
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936129    0.476601   -0.259030
    -0.000000    9.943165   -0.071797
    -0.000000    0.000000   13.898858
   Si   O    H 
    32    64    10
Direct configuration=  2215
   0.14159960  0.18180467 -0.02099975
   0.33461335  0.08951159  0.36960810
   0.13371876  0.42409628  0.11043535
   0.37285429  0.34584650  0.24943920
   0.06799235  0.15447387  0.48841439
   0.37511093  0.11183719  0.84949065
   0.14872708  0.41475372  0.61442557
   0.38716117  0.35892092  0.75137561
   0.14351724  0.67342838 -0.01511445
   0.41745524  0.58739187  0.35930849
   0.07924397  0.88322370  0.14368950
   0.34042674  0.83221728  0.24854558
   0.18600093  0.65210569  0.48443413
   0.38871478  0.61647716  0.86416289
   0.07105410  0.89617733  0.60813683
   0.36138353  0.96334084  0.67957097
   0.60956284  0.14306470  1.00298466
   0.83520763  0.11121426  0.33893294
   0.60660132  0.40468250  0.10863218
   0.89122514  0.28716660  0.15636876
   0.60549089  0.17056397  0.48216888
   0.86651837  0.09172954  0.87584773
   0.61401249  0.43523535  0.60449352
   0.77778216  0.35919414  0.78130541
   0.62976961  0.66818185 -0.00108375
   0.89967407  0.60642546  0.38180416
   0.59135897  0.90124488  0.12766797
   0.84494558  0.82967090  0.24191352
   0.63119467  0.64337964  0.46293229
   0.87537175  0.60686704  0.88031909
   0.63263736  0.92531407  0.61182430
   0.84606393  0.85188149  0.75378730
   0.10084633  0.04761781  0.16450514
   0.32318454  0.18649603  0.27617083
   0.12356795  0.34719467  0.00868893
   0.35727433  0.43867407  0.33979822
   0.52032960  0.35501986  0.19901959
   0.28319378  0.39779490  0.15781112
   0.21726044  0.10438942  0.44514398
  -0.05644796  0.16160843  0.41518733
   0.03116015  0.05194273  0.57391172
   0.45904759  0.21716446  0.78424825
   0.10622348  0.30325436  0.53576160
   0.36506796  0.46196607  0.83713267
   0.49046882  0.42617032  0.67770681
   0.24747876  0.32963767  0.69156585
   0.22760442  0.19346981 -0.12361491
  -0.00160468  0.12223424  0.94017816
   0.11862965  0.58225953  0.07559063
   0.39678320  0.67693195  0.25804008
   0.11960189  0.83264214  0.03734868
   0.34440329  0.93033448  0.33809846
   0.43232833  0.88638027  0.16319080
   0.18421148  0.81224691  0.21536199
   0.33392537  0.67729242  0.43969504
   0.07113068  0.59275292  0.40873618
   0.23470625  0.53729120  0.56617746
   0.35791152  0.68985197  0.75194559
   0.11868453  0.78788402  0.52776718
   0.38889720  0.96647786  0.79945624
   0.47377423  0.88064872  0.61615056
   0.20451111  0.89489142  0.67689861
   0.29701178  0.65568589 -0.04693833
   0.03004032  0.63998425  0.90172258
   0.62931544  0.06043387  0.10193663
   0.85049890  0.18662440  0.23955428
   0.58100657  0.30400893  0.02533678
   0.87065084  0.44696219  0.36587404
   0.02033660  0.38164752  0.19186966
   0.76667161  0.39740844  0.14897082
   0.68969234  0.15716185  0.38011008
   0.46581064  0.12123365  0.43510457
   0.63418742  0.07865959  0.57608627
   0.86945742  0.21784120  0.79404005
   0.61114497  0.32279925  0.52043205
   0.87454164  0.45121667  0.84411533
   1.02224959  0.46483400  0.67853390
   0.77007401  0.39937179  0.66304118
   0.73250502  0.10415207  0.93751349
   0.46296326  0.11267008  0.95022341
   0.56962249  0.57534382  0.08085351
   0.89059556  0.68966273  0.29109665
   0.60250659  0.82602664  0.02377267
   0.84528971  0.95235804  0.31456184
   0.92221192  0.84827123  0.14177709
   0.69337654  0.80280999  0.18987982
   0.79065733  0.67043300  0.44962603
   0.58233322  0.55962378  0.37205215
   0.59912671  0.58961806  0.56940988
   0.81440211  0.70337920  0.79585956
   0.56522913  0.79845096  0.44929468
   0.91063868  0.95342840  0.83010877
   0.94289483  0.84454769  0.66390423
   0.69524398  0.91754506  0.72232386
   0.78577500  0.63711224  0.97662841
   0.54171101  0.65181270  0.89621384
   0.73094566  0.83664842  0.56238107
   0.47109394  0.82617375  0.43154303
   0.89810794  0.21880091  0.06460352
   0.93232643  0.41182327  0.31562102
   0.32897112  0.10662382  0.63729489
   0.28789504  0.77454843  0.72672790
   0.17172705  1.09140038  0.16320812
   0.24080042  1.08873789  0.03757203
   0.64865694  0.35035593  0.82190837
   0.92756990  0.45219929  0.66305892
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935028    0.474897   -0.258786
    -0.000000    9.941941   -0.071872
    -0.000000    0.000000   13.899704
   Si   O    H 
    32    64    10
Direct configuration=  2216
   0.14112408  0.18187761 -0.02081275
   0.33395430  0.08894330  0.36931268
   0.13207675  0.42403118  0.10964293
   0.37369768  0.34525063  0.24896186
   0.06719720  0.15550009  0.48926362
   0.37436678  0.11256111  0.85021728
   0.14892408  0.41567561  0.61375749
   0.38684655  0.35947503  0.75086939
   0.14373211  0.67230392 -0.01504227
   0.41805498  0.58736939  0.35907543
   0.07751690  0.88325987  0.14360886
   0.34134382  0.83326079  0.24967395
   0.18509555  0.65120718  0.48464593
   0.38797348  0.61744872  0.86468228
   0.06973162  0.89743052  0.60853156
   0.35901745  0.96487158  0.67983744
   0.61000149  0.14300868  1.00210491
   0.83598719  0.11021452  0.33705873
   0.60753396  0.40505165  0.10716438
   0.89164127  0.28719130  0.15540088
   0.60561821  0.16985204  0.48256966
   0.86646571  0.09163061  0.87569868
   0.61363894  0.43548246  0.60553304
   0.77703986  0.35896082  0.78090417
   0.62949240  0.66870133 -0.00101612
   0.89945568  0.60496927  0.38158037
   0.58991807  0.90359380  0.12793448
   0.84547408  0.82871646  0.24104569
   0.63234995  0.64334832  0.46285818
   0.87365807  0.60617897  0.88095944
   0.63368390  0.92494447  0.61082154
   0.84552704  0.85140944  0.75441534
   0.09900689  0.04695900  0.16391927
   0.32090190  0.18767575  0.27652599
   0.12365308  0.34857337  0.00833871
   0.35585486  0.43825764  0.34061170
   0.52072503  0.35610615  0.19836509
   0.28340327  0.39797484  0.15653978
   0.21800951  0.10393094  0.44488146
  -0.05553782  0.16278288  0.41537643
   0.03058892  0.05220791  0.57390331
   0.45793812  0.21572218  0.78549425
   0.10652603  0.30079401  0.53526045
   0.36614615  0.46063116  0.83572317
   0.49015471  0.42485552  0.67754549
   0.24671093  0.32956478  0.69203461
   0.22670592  0.19314743 -0.12427960
  -0.00214758  0.12087272  0.93935962
   0.11947970  0.58148086  0.07432344
   0.39734137  0.67901381  0.25904245
   0.11801671  0.83169617  0.03624723
   0.34453370  0.93026422  0.34010823
   0.43134512  0.88610732  0.16264832
   0.18530940  0.81295154  0.21669173
   0.33403062  0.67567580  0.43984178
   0.07058656  0.59411934  0.40760422
   0.23364378  0.53832553  0.56579724
   0.35812031  0.68992775  0.75193948
   0.11685886  0.79015447  0.52803082
   0.38970537  0.96542235  0.79850604
   0.47515592  0.88126597  0.61447676
   0.20358535  0.89436051  0.67675442
   0.29609080  0.65643019 -0.04675900
   0.03015499  0.64058629  0.90181913
   0.62822889  0.06170012  0.10137980
   0.85137410  0.18697763  0.23936398
   0.58209081  0.30354685  0.02570586
   0.87170066  0.44675717  0.36572104
   0.02022346  0.38236503  0.19174095
   0.76708067  0.39703527  0.14916156
   0.68904509  0.15707500  0.37968549
   0.46692537  0.12279525  0.43428546
   0.63410144  0.07785168  0.57710995
   0.86674636  0.21934641  0.79390105
   0.61098964  0.32258453  0.52263741
   0.87420875  0.45170263  0.84377739
   1.02239648  0.46544063  0.67699709
   0.76958986  0.40090032  0.66401403
   0.72991224  0.10448181  0.93712030
   0.46314597  0.11144050  0.95105814
   0.57031197  0.57631757  0.08102500
   0.89042288  0.68997014  0.29062883
   0.60209175  0.82563332  0.02393874
   0.84620227  0.95077185  0.31503745
   0.92307235  0.84637873  0.14047447
   0.69417922  0.80221353  0.19244675
   0.79151215  0.67159371  0.45007008
   0.58006838  0.55789644  0.37130884
   0.59830289  0.58910357  0.56888858
   0.81281962  0.70237253  0.79529589
   0.56256590  0.79916601  0.44954555
   0.91285624  0.95569524  0.83015998
   0.94129131  0.84368926  0.66537268
   0.69608840  0.91835925  0.72194318
   0.78638598  0.63755796  0.97748569
   0.54133688  0.65395254  0.89674742
   0.73147288  0.83484472  0.55753091
   0.46841270  0.82297294  0.42896497
   0.90215798  0.21826611  0.06354900
   0.92555606  0.41491255  0.31933530
   0.33892541  0.10004648  0.63968026
   0.28987722  0.76184168  0.73175222
   0.18632261  1.10353023  0.16762334
   0.23638893  1.09528281  0.03929865
   0.64354055  0.34729781  0.82136515
   0.92683740  0.44682656  0.65971227
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934064    0.473353   -0.258923
    -0.000000    9.940092   -0.071732
    -0.000000    0.000000   13.900532
   Si   O    H 
    32    64    10
Direct configuration=  2217
   0.14054848  0.18183736 -0.02110639
   0.33371687  0.08793921  0.36949696
   0.13047009  0.42337822  0.10815017
   0.37470035  0.34487384  0.24879480
   0.06708857  0.15651886  0.49026001
   0.37448438  0.11360020  0.85104045
   0.14882623  0.41603912  0.61250753
   0.38640857  0.35992188  0.74984731
   0.14411938  0.67200199 -0.01472470
   0.41857414  0.58742227  0.35847257
   0.07656917  0.88326544  0.14342511
   0.34255283  0.83375234  0.25060541
   0.18464687  0.65070378  0.48506908
   0.38759476  0.61893984  0.86488784
   0.06828639  0.89886402  0.60897690
   0.35594043  0.96608073  0.68022632
   0.60995342  0.14321622  1.00175491
   0.83697692  0.10941039  0.33512908
   0.60854462  0.40566594  0.10644629
   0.89215376  0.28716209  0.15484066
   0.60533926  0.16907996  0.48328171
   0.86649037  0.09290953  0.87504377
   0.61363473  0.43577992  0.60676158
   0.77619659  0.35831414  0.78024686
   0.62883439  0.66976355 -0.00095913
   0.89969838  0.60312885  0.38136398
   0.58929030  0.90584825  0.12811184
   0.84570889  0.82723664  0.24026671
   0.63369725  0.64350698  0.46259747
   0.87260051  0.60528504  0.88168481
   0.63519306  0.92430600  0.61009206
   0.84478538  0.85074919  0.75524802
   0.09784432  0.04706762  0.16373758
   0.31880477  0.18891641  0.27682963
   0.12404810  0.34936835  0.00789780
   0.35473448  0.43830001  0.34151389
   0.52082249  0.35623573  0.19790134
   0.28346464  0.39716601  0.15523671
   0.21794734  0.10386574  0.44495023
  -0.05389772  0.16463763  0.41539549
   0.03046161  0.05164059  0.57344447
   0.45796736  0.21515298  0.78667520
   0.10690092  0.29808699  0.53476538
   0.36698435  0.45986377  0.83427943
   0.48986377  0.42325910  0.67757547
   0.24690758  0.32997282  0.69235084
   0.22545423  0.19208459 -0.12449543
  -0.00227327  0.11967933  0.93933846
   0.11941293  0.57980055  0.07355877
   0.39778129  0.68088759  0.26011833
   0.11635024  0.83072874  0.03478789
   0.34479070  0.93044014  0.34235904
   0.43115309  0.88650319  0.16194303
   0.18636952  0.81328127  0.21835493
   0.33339821  0.67476166  0.44005461
   0.06905234  0.59558857  0.40682265
   0.23221646  0.53838091  0.56595062
   0.35791749  0.68989281  0.75193803
   0.11566268  0.79244242  0.52800769
   0.39042285  0.96484890  0.79761385
   0.47530699  0.88220439  0.61374068
   0.20349666  0.89361027  0.67716253
   0.29521615  0.65794539 -0.04692733
   0.03010956  0.64078350  0.90114733
   0.62693139  0.06263255  0.10102378
   0.85224533  0.18711741  0.23906842
   0.58297824  0.30281226  0.02562544
   0.87192445  0.44711865  0.36553677
   0.02017557  0.38185274  0.19116284
   0.76738094  0.39708671  0.14959680
   0.68925950  0.15679203  0.37968282
   0.46753557  0.12397854  0.43344674
   0.63410926  0.07858909  0.57798543
   0.86386303  0.21977578  0.79396665
   0.61069793  0.32241547  0.52567420
   0.87371211  0.45260578  0.84370706
   1.02330241  0.46610010  0.67566540
   0.76918500  0.40243536  0.66489917
   0.72857702  0.10474731  0.93643910
   0.46297295  0.10943910  0.95252922
   0.57096624  0.57686748  0.08193628
   0.89033792  0.69112536  0.28985789
   0.60190939  0.82513593  0.02362647
   0.84725778  0.94933290  0.31627483
   0.92469469  0.84438186  0.13947474
   0.69425276  0.80213101  0.19450312
   0.79119056  0.67287242  0.45018654
   0.57849513  0.55577705  0.37107409
   0.59743543  0.58871442  0.56864748
   0.81052201  0.70131899  0.79479758
   0.55996373  0.79960808  0.44989614
   0.91441962  0.95715203  0.83033115
   0.94016238  0.84315178  0.66539229
   0.69761717  0.91894022  0.72139422
   0.78620328  0.63762079  0.97825155
   0.54077692  0.65624737  0.89652452
   0.72973710  0.83501612  0.55462712
   0.46855983  0.81908700  0.42993628
   0.90517748  0.21953560  0.06251415
   0.93350636  0.40742911  0.31552384
   0.34584494  0.09565631  0.64321213
   0.29469091  0.74949146  0.74004468
   0.19270560  1.11090023  0.17379024
   0.22881578  1.10148128  0.03976207
   0.64182639  0.34816131  0.82171829
   0.92766976  0.44213836  0.65912827
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932687    0.472122   -0.259158
    -0.000000    9.937982   -0.071719
    -0.000000    0.000000   13.901735
   Si   O    H 
    32    64    10
Direct configuration=  2218
   0.13991160  0.18217564 -0.02196910
   0.33412636  0.08692388  0.36983319
   0.12926870  0.42302651  0.10710413
   0.37537054  0.34438449  0.24807975
   0.06762131  0.15779732  0.49142816
   0.37488851  0.11439579  0.85201412
   0.14889825  0.41677195  0.61154929
   0.38566033  0.35945660  0.74815555
   0.14381432  0.67242894 -0.01437183
   0.41838745  0.58732361  0.35791187
   0.07677602  0.88330298  0.14322877
   0.34374423  0.83404508  0.25148525
   0.18411636  0.65024431  0.48538988
   0.38746815  0.61949767  0.86450547
   0.06682201  0.90023990  0.60980630
   0.35291441  0.96666892  0.68053873
   0.60975835  0.14403293  1.00126382
   0.83769118  0.10885677  0.33378022
   0.60973215  0.40620901  0.10633849
   0.89203691  0.28716781  0.15486291
   0.60481861  0.16882019  0.48375808
   0.86592045  0.09556391  0.87435991
   0.61393496  0.43629392  0.60834243
   0.77514201  0.35800200  0.77969273
   0.62834850  0.67006613 -0.00107205
   0.89972065  0.60160955  0.38148471
   0.58895474  0.90825433  0.12813153
   0.84592644  0.82580417  0.23916403
   0.63504743  0.64382311  0.46231194
   0.87182421  0.60471164  0.88197198
   0.63619492  0.92335174  0.60971883
   0.84359253  0.85051561  0.75640416
   0.09735309  0.04719524  0.16350293
   0.31745525  0.19072893  0.27700031
   0.12459515  0.34960720  0.00794222
   0.35263021  0.43799302  0.34205248
   0.52032578  0.35640073  0.19778384
   0.28305400  0.39680948  0.15403733
   0.21702563  0.10475615  0.44465260
  -0.05186109  0.16624383  0.41480753
   0.03008127  0.05058769  0.57367361
   0.45712888  0.21465387  0.78792935
   0.10646796  0.29650397  0.53439928
   0.36768102  0.46055604  0.83301108
   0.48912191  0.42240551  0.67706680
   0.24713041  0.33026241  0.69249751
   0.22507211  0.19057809 -0.12382029
  -0.00235055  0.11895893  0.93950411
   0.11971076  0.57830804  0.07262040
   0.39850719  0.68230425  0.26191315
   0.11464233  0.82886304  0.03318693
   0.34515582  0.93044469  0.34477921
   0.43024333  0.88729795  0.16157165
   0.18663962  0.81441990  0.21977283
   0.33284679  0.67390830  0.44009302
   0.06754467  0.59714932  0.40671820
   0.23103391  0.53801098  0.56699356
   0.35906655  0.68755664  0.75273459
   0.11411101  0.79479226  0.52804315
   0.39057844  0.96393942  0.79630151
   0.47477846  0.88369669  0.61348648
   0.20393380  0.89385196  0.67719183
   0.29430201  0.65926232 -0.04756231
   0.03121417  0.64075774  0.90042543
   0.62649332  0.06307339  0.10109520
   0.85306607  0.18719878  0.23850029
   0.58429773  0.30076096  0.02503329
   0.87219405  0.44733768  0.36555962
   0.01970565  0.38084620  0.19063353
   0.76714374  0.39742929  0.14970702
   0.68926468  0.15718494  0.38004052
   0.46814282  0.12508321  0.43258760
   0.63440715  0.07911344  0.57890255
   0.86155926  0.21915183  0.79437655
   0.60958167  0.32254541  0.52780017
   0.87306732  0.45432643  0.84349959
   1.02364452  0.46729675  0.67396250
   0.76768297  0.40346878  0.66566042
   0.72787661  0.10418860  0.93577926
   0.46211122  0.10676359  0.95371683
   0.57178499  0.57582131  0.08233577
   0.89035361  0.69176228  0.28857650
   0.60211083  0.82494259  0.02320458
   0.84832031  0.94715636  0.31745867
   0.92643194  0.84219206  0.13881624
   0.69438575  0.80222151  0.19607995
   0.79083565  0.67309937  0.44994444
   0.57707541  0.55475191  0.37130158
   0.59722831  0.58919893  0.56853709
   0.80904515  0.70127033  0.79395162
   0.55824046  0.79985866  0.44975565
   0.91520939  0.95752840  0.82972608
   0.93985447  0.84261181  0.66509319
   0.69854409  0.91872217  0.72124013
   0.78626762  0.63726565  0.97845462
   0.54037974  0.65807068  0.89602886
   0.72824495  0.83575050  0.55427991
   0.46801825  0.81508451  0.43187120
   0.90690333  0.22192061  0.06210339
   0.94093003  0.40383497  0.31382542
   0.34848592  0.09612082  0.64477698
   0.27914953  0.75951102  0.74512875
   0.19060466  1.10828178  0.17718336
   0.22669457  1.10676448  0.04371876
   0.64222484  0.34855779  0.82274982
   0.93306753  0.44313005  0.65921064
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931193    0.471016   -0.258934
    -0.000000    9.935777   -0.072151
    -0.000000    0.000000   13.903031
   Si   O    H 
    32    64    10
Direct configuration=  2219
   0.13871648  0.18259881 -0.02304094
   0.33412253  0.08634319  0.37008994
   0.12848566  0.42244427  0.10627399
   0.37612781  0.34383686  0.24760672
   0.06844158  0.15937656  0.49321019
   0.37512809  0.11519331  0.85347046
   0.14932129  0.41706252  0.61047079
   0.38545629  0.35927543  0.74657838
   0.14304853  0.67373556 -0.01341458
   0.41804636  0.58676313  0.35743464
   0.07729779  0.88268711  0.14286638
   0.34446411  0.83436597  0.25230557
   0.18376396  0.64942223  0.48528756
   0.38737286  0.61965726  0.86375000
   0.06540449  0.90144151  0.61070254
   0.35018077  0.96675831  0.68065819
   0.60915106  0.14504579  1.00102373
   0.83786071  0.10866220  0.33315798
   0.61060565  0.40746418  0.10684585
   0.89208915  0.28774232  0.15520380
   0.60460203  0.16911779  0.48399995
   0.86555437  0.09796826  0.87382202
   0.61433398  0.43669414  0.60991576
   0.77449110  0.35748807  0.77930983
   0.62740770  0.67026027 -0.00149402
   0.89944833  0.60000771  0.38146858
   0.58853876  0.91063976  0.12823840
   0.84501658  0.82455483  0.23803514
   0.63576369  0.64459270  0.46213797
   0.87154928  0.60450329  0.88229605
   0.63691536  0.92231532  0.60994620
   0.84266542  0.84987462  0.75724964
   0.09732173  0.04726666  0.16328122
   0.31713570  0.19280987  0.27756963
   0.12517550  0.34883761  0.00747622
   0.35030240  0.43786541  0.34276569
   0.51985412  0.35600252  0.19787274
   0.28311156  0.39532028  0.15255559
   0.21446257  0.10531130  0.44436396
  -0.04994651  0.16784763  0.41407531
   0.02988419  0.04971033  0.57336096
   0.45683719  0.21523931  0.78868488
   0.10597859  0.29631496  0.53373223
   0.36850604  0.46084674  0.83205764
   0.48889747  0.42148501  0.67651206
   0.24660019  0.33071807  0.69256581
   0.22534674  0.18883299 -0.12321478
  -0.00217226  0.11820588  0.94035384
   0.11973155  0.57622225  0.07210038
   0.39991802  0.68301744  0.26384331
   0.11322711  0.82802392  0.03197115
   0.34587448  0.93007715  0.34697865
   0.43032563  0.88857093  0.16174200
   0.18698219  0.81628339  0.22074316
   0.33189900  0.67329223  0.44063736
   0.06581683  0.59909268  0.40657961
   0.23014153  0.53694738  0.56780581
   0.36009381  0.68611915  0.75357588
   0.11382350  0.79752140  0.52773705
   0.38986870  0.96383394  0.79484630
   0.47437770  0.88510549  0.61365381
   0.20451126  0.89435664  0.67830546
   0.29408258  0.66011728 -0.04785812
   0.03130230  0.64147310  0.89998444
   0.62587059  0.06362577  0.10173973
   0.85438550  0.18734247  0.23799515
   0.58586519  0.29873058  0.02442737
   0.87213254  0.44662488  0.36538317
   0.01918925  0.38024584  0.18963562
   0.76708571  0.39738033  0.14961930
   0.68948628  0.15716750  0.38090102
   0.46797618  0.12624132  0.43156254
   0.63443098  0.08019149  0.57981530
   0.85852378  0.21834931  0.79462913
   0.60874786  0.32265793  0.53015323
   0.87089548  0.45592992  0.84315716
   1.02414365  0.46826871  0.67202442
   0.76611675  0.40473112  0.66663758
   0.72797845  0.10236961  0.93478244
   0.46144649  0.10379711  0.95460022
   0.57281232  0.57389326  0.08248502
   0.89154345  0.69135681  0.28765906
   0.60210772  0.82533647  0.02324130
   0.84955074  0.94549377  0.31856996
   0.92777542  0.84140625  0.13814340
   0.69351226  0.80288195  0.19774387
   0.78977560  0.67299140  0.45030280
   0.57601263  0.55404955  0.37094189
   0.59643666  0.58961028  0.56859685
   0.80786957  0.70117746  0.79352045
   0.55732617  0.80024839  0.44964010
   0.91487296  0.95704414  0.82913379
   0.94042614  0.84241705  0.66495219
   0.69963596  0.91853517  0.72109799
   0.78598436  0.63735451  0.97864035
   0.54015306  0.65919472  0.89627042
   0.72724973  0.84011545  0.55240142
   0.45765556  0.81400855  0.43023146
   0.90691168  0.22589127  0.06026121
   0.93972287  0.40578437  0.31745164
   0.34754326  0.10304206  0.64297298
   0.27368488  0.76188790  0.75087939
   0.17783465  1.09852326  0.17830842
   0.22916890  1.11062341  0.05033287
   0.64056280  0.35216119  0.82315261
   0.92861559  0.44375417  0.65617528
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929264    0.469834   -0.258709
    -0.000000    9.934027   -0.072609
    -0.000000    0.000000   13.904190
   Si   O    H 
    32    64    10
Direct configuration=  2220
   0.13687207  0.18396213 -0.02427840
   0.33411074  0.08600639  0.37037808
   0.12834763  0.42138613  0.10608883
   0.37645229  0.34339165  0.24746681
   0.06904152  0.16039139  0.49487912
   0.37533384  0.11660678  0.85490121
   0.14912100  0.41675186  0.61005152
   0.38585726  0.35876920  0.74561810
   0.14196327  0.67492277 -0.01237901
   0.41791950  0.58562432  0.35699836
   0.07824868  0.88193692  0.14267760
   0.34491059  0.83475541  0.25292662
   0.18282154  0.64910866  0.48532857
   0.38828868  0.61999770  0.86256198
   0.06424092  0.90305607  0.61142524
   0.34837937  0.96670350  0.68109496
   0.60848261  0.14622232  1.00092026
   0.83732603  0.10842559  0.33276510
   0.61182046  0.40845343  0.10752200
   0.89216509  0.28841377  0.15566486
   0.60420677  0.16992388  0.48447617
   0.86557970  0.10039048  0.87300606
   0.61465143  0.43702375  0.61157302
   0.77411189  0.35667839  0.77871966
   0.62678052  0.67074580 -0.00159025
   0.89931078  0.59875377  0.38116280
   0.58808406  0.91187738  0.12835381
   0.84431134  0.82371307  0.23686992
   0.63590342  0.64588227  0.46208485
   0.87133552  0.60416107  0.88289080
   0.63800174  0.92088769  0.61045944
   0.84200614  0.84898698  0.75801457
   0.09723685  0.04685707  0.16296354
   0.31751214  0.19483991  0.27770727
   0.12505619  0.34756519  0.00680664
   0.34832865  0.43797532  0.34329531
   0.51960991  0.35630587  0.19824287
   0.28225823  0.39341912  0.15120683
   0.21139997  0.10549815  0.44417147
  -0.04830372  0.16943112  0.41224308
   0.02920779  0.04877605  0.57272542
   0.45710657  0.21602875  0.78948179
   0.10573128  0.29694745  0.53289654
   0.36948991  0.46127183  0.83149152
   0.48899532  0.42080915  0.67556476
   0.24505201  0.33050637  0.69199822
   0.22584465  0.18809832 -0.12316494
  -0.00205635  0.11743512  0.94144456
   0.11977758  0.57437738  0.07202435
   0.40153775  0.68346383  0.26536049
   0.11196966  0.82721202  0.03169221
   0.34659219  0.92939285  0.34874499
   0.43032546  0.88964315  0.16213413
   0.18658728  0.81848694  0.22210886
   0.33016814  0.67289149  0.44105806
   0.06485254  0.60082475  0.40615546
   0.22939482  0.53652073  0.56853152
   0.36060369  0.68500530  0.75482874
   0.11373716  0.79977930  0.52721186
   0.38850310  0.96475501  0.79382755
   0.47301300  0.88643117  0.61409318
   0.20498034  0.89505743  0.67934743
   0.29433423  0.66036970 -0.04844337
   0.03119325  0.64236847  0.89981361
   0.62483331  0.06381410  0.10241176
   0.85608776  0.18759652  0.23752425
   0.58752261  0.29793757  0.02449071
   0.87153479  0.44508726  0.36581726
   0.01953059  0.37926128  0.18838522
   0.76631911  0.39765492  0.14893425
   0.68939761  0.15647696  0.38144609
   0.46779210  0.12686773  0.43070663
   0.63464824  0.08176326  0.58061224
   0.85556268  0.21763261  0.79522861
   0.60751225  0.32249648  0.53195231
   0.86896471  0.45705426  0.84276186
   1.02402615  0.46988260  0.67025340
   0.76390560  0.40558231  0.66704273
   0.72802871  0.10159798  0.93337874
   0.46074746  0.10143048  0.95543348
   0.57455463  0.57134859  0.08252824
   0.89277831  0.69088774  0.28702431
   0.60171946  0.82644236  0.02331501
   0.85089032  0.94398684  0.31942589
   0.92833662  0.84135342  0.13815418
   0.69173006  0.80372437  0.19881521
   0.79008191  0.67219205  0.45043520
   0.57510632  0.55253580  0.37066688
   0.59606892  0.58959619  0.56857810
   0.80676439  0.70114459  0.79336214
   0.55616801  0.80059899  0.44927445
   0.91414736  0.95657125  0.82923766
   0.94219467  0.84215996  0.66462642
   0.69993801  0.91896262  0.72126065
   0.78488791  0.63674361  0.97899547
   0.53995983  0.65952785  0.89661978
   0.72443415  0.84218602  0.55185165
   0.45728198  0.80983894  0.42991391
   0.90480670  0.22848031  0.06025313
   0.93106801  0.40809505  0.32426960
   0.34462032  0.10991915  0.64048568
   0.28207991  0.75074155  0.75729692
   0.16487515  1.08524347  0.17916919
   0.22813556  1.11698786  0.05383340
   0.64161293  0.35920530  0.82098290
   0.92778530  0.44379281  0.65462763
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927385    0.468663   -0.258862
    -0.000000    9.932451   -0.072498
    -0.000000    0.000000   13.905354
   Si   O    H 
    32    64    10
Direct configuration=  2221
   0.13583932  0.18575327 -0.02582515
   0.33420606  0.08633177  0.37115065
   0.12807802  0.42068626  0.10597771
   0.37657955  0.34275802  0.24728010
   0.06999513  0.16018039  0.49579665
   0.37563776  0.11748318  0.85623833
   0.14881436  0.41651208  0.60985921
   0.38688852  0.35775167  0.74522782
   0.14097344  0.67607098 -0.01129877
   0.41795171  0.58490579  0.35635556
   0.07981753  0.88169797  0.14242111
   0.34527810  0.83531229  0.25354437
   0.18190091  0.64891913  0.48540638
   0.38941779  0.62028310  0.86114025
   0.06334734  0.90421083  0.61184694
   0.34655008  0.96650353  0.68105954
   0.60814012  0.14708130  1.00068920
   0.83684384  0.10815506  0.33274066
   0.61284100  0.40953632  0.10833067
   0.89195990  0.28911841  0.15579820
   0.60428793  0.17061205  0.48489565
   0.86567751  0.10229677  0.87261423
   0.61471558  0.43710063  0.61296191
   0.77345073  0.35625225  0.77799111
   0.62561557  0.67063388 -0.00194443
   0.89899233  0.59820593  0.38079527
   0.58713594  0.91310811  0.12844692
   0.84331469  0.82276025  0.23559482
   0.63524665  0.64739224  0.46179719
   0.87160672  0.60364696  0.88306280
   0.63859983  0.91932423  0.61108850
   0.84082948  0.84870440  0.75871326
   0.09600381  0.04570242  0.16184520
   0.31829809  0.19658036  0.27745497
   0.12506034  0.34498789  0.00548744
   0.34690188  0.43876065  0.34370742
   0.51930686  0.35634655  0.19878819
   0.28029700  0.39193775  0.15013481
   0.20878138  0.10604115  0.44364115
  -0.04603257  0.17076598  0.41027932
   0.02821526  0.04805309  0.57201752
   0.45716673  0.21700919  0.78942019
   0.10571904  0.29869289  0.53255821
   0.36958154  0.46198191  0.83097527
   0.48916394  0.42073087  0.67544551
   0.24374417  0.33051713  0.69118993
   0.22652148  0.18729918 -0.12309510
  -0.00211782  0.11601146  0.94212582
   0.11986866  0.57254572  0.07267705
   0.40321194  0.68372247  0.26692053
   0.11088961  0.82670536  0.03189134
   0.34765823  0.92836523  0.35018591
   0.43055794  0.89116424  0.16266841
   0.18562973  0.81950234  0.22354642
   0.32898910  0.67120962  0.44166708
   0.06370955  0.60179217  0.40609972
   0.22910766  0.53616464  0.56845457
   0.36127297  0.68462254  0.75600114
   0.11453868  0.80122245  0.52598154
   0.38764725  0.96635620  0.79328929
   0.47121774  0.88792300  0.61485900
   0.20439347  0.89501608  0.68049393
   0.29379181  0.66135585 -0.04833826
   0.03149764  0.64371931  0.90030222
   0.62352729  0.06347959  0.10259406
   0.85770044  0.18782968  0.23701516
   0.58857248  0.29746908  0.02511972
   0.86975022  0.44392254  0.36643827
   0.01962562  0.37820537  0.18723013
   0.76581779  0.39817749  0.14777922
   0.69013263  0.15540465  0.38201174
   0.46711427  0.12769825  0.43022110
   0.63459900  0.08284673  0.58123153
   0.85319494  0.21622791  0.79569644
   0.60671290  0.32140755  0.53320367
   0.86634154  0.45823748  0.84213761
   1.02373990  0.47114235  0.66876354
   0.76207858  0.40722073  0.66782065
   0.72867973  0.10042534  0.93203241
   0.46096853  0.09907543  0.95607167
   0.57597757  0.56807431  0.08284490
   0.89458972  0.69043101  0.28677612
   0.60092409  0.82730639  0.02388881
   0.85240355  0.94281300  0.32033701
   0.92826131  0.84136355  0.13801903
   0.68993340  0.80528822  0.19929602
   0.79040437  0.67159753  0.45053518
   0.57437028  0.55147259  0.37096581
   0.59625881  0.58909008  0.56875360
   0.80579052  0.70124153  0.79342232
   0.55617626  0.79988151  0.44907600
   0.91388034  0.95552267  0.82905584
   0.94363972  0.84230927  0.66434023
   0.70004651  0.91960483  0.72081620
   0.78420324  0.63624482  0.97893274
   0.53964817  0.65928613  0.89686586
   0.72432836  0.84170788  0.55163087
   0.46511534  0.80535078  0.43375365
   0.90082956  0.22967666  0.05767204
   0.93697866  0.39885707  0.32266931
   0.33944918  0.11460823  0.63943931
   0.29244213  0.73872349  0.76029160
   0.18611383  1.08864004  0.18945919
   0.22656200  1.12383881  0.05575070
   0.64389947  0.36774036  0.81896222
   0.93025443  0.44457667  0.65141186
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925670    0.467740   -0.259107
    -0.000000    9.930838   -0.072994
    -0.000000    0.000000   13.906616
   Si   O    H 
    32    64    10
Direct configuration=  2222
   0.13545062  0.18699577 -0.02658164
   0.33421549  0.08686102  0.37241745
   0.12758037  0.42024231  0.10564547
   0.37631306  0.34226253  0.24736832
   0.07132571  0.15911482  0.49570490
   0.37597181  0.11791010  0.85724737
   0.14865905  0.41587533  0.61015396
   0.38824116  0.35662013  0.74471209
   0.13996251  0.67737422 -0.01044794
   0.41766344  0.58392007  0.35594450
   0.08185853  0.88185444  0.14235398
   0.34563453  0.83550709  0.25382521
   0.18073245  0.64911101  0.48578993
   0.39054207  0.62076037  0.86006657
   0.06348238  0.90456812  0.61205146
   0.34479578  0.96631655  0.68041397
   0.60811848  0.14730885  1.00042881
   0.83689951  0.10805426  0.33300335
   0.61360486  0.41034558  0.10910083
   0.89167354  0.28991921  0.15543384
   0.60437156  0.17099562  0.48493555
   0.86675856  0.10373631  0.87313188
   0.61502832  0.43712712  0.61432239
   0.77252324  0.35643053  0.77786343
   0.62424454  0.67095791 -0.00235733
   0.89881791  0.59806677  0.38021836
   0.58659325  0.91349621  0.12872356
   0.84196496  0.82142836  0.23436429
   0.63402627  0.64902682  0.46175870
   0.87208434  0.60383682  0.88315343
   0.63944743  0.91845818  0.61188439
   0.84021489  0.84866577  0.75903975
   0.09484465  0.04447764  0.16090746
   0.31881260  0.19783630  0.27716657
   0.12528617  0.34234856  0.00472338
   0.34564788  0.44007144  0.34396279
   0.52000618  0.35588559  0.19923794
   0.27909504  0.39081377  0.14905108
   0.20565056  0.10694815  0.44319219
  -0.04348331  0.17120727  0.40918151
   0.02758420  0.04802231  0.57150371
   0.45759129  0.21849450  0.78951277
   0.10603165  0.30127258  0.53253891
   0.36964991  0.46316403  0.83053812
   0.48953151  0.41996292  0.67518122
   0.24370274  0.33075257  0.69033207
   0.22772921  0.18599699 -0.12338699
  -0.00232567  0.11462981  0.94266661
   0.12050885  0.57071206  0.07357937
   0.40498966  0.68352918  0.26828699
   0.11009264  0.82608211  0.03233199
   0.34884310  0.92755406  0.35087354
   0.43114734  0.89129451  0.16296058
   0.18488524  0.82079812  0.22472442
   0.32718480  0.66985895  0.44199602
   0.06294035  0.60266555  0.40617863
   0.22980930  0.53605372  0.56798791
   0.36297232  0.68363400  0.75709609
   0.11493523  0.80191521  0.52445089
   0.38600789  0.96806267  0.79334820
   0.46946418  0.89008525  0.61505958
   0.20420540  0.89502101  0.68177135
   0.29347729  0.66182420 -0.04829303
   0.03205657  0.64588861  0.90069489
   0.62218157  0.06363745  0.10277144
   0.85929448  0.18830382  0.23629561
   0.58933094  0.29759374  0.02602733
   0.86711885  0.44318350  0.36699179
   0.02020311  0.37617314  0.18600914
   0.76527909  0.39879625  0.14674414
   0.69155111  0.15429501  0.38277060
   0.46697490  0.12856701  0.42973009
   0.63483301  0.08378319  0.58241785
   0.85076054  0.21547805  0.79611990
   0.60547600  0.32080012  0.53432429
   0.86440476  0.45842144  0.84133433
   1.02356935  0.47251427  0.66797374
   0.76049033  0.40818294  0.66756831
   0.72924606  0.09934688  0.93021218
   0.46132957  0.09689327  0.95731649
   0.57711808  0.56533117  0.08329123
   0.89625591  0.69059331  0.28680463
   0.59986072  0.82896493  0.02404231
   0.85366403  0.94150461  0.32054530
   0.92846457  0.84074867  0.13839452
   0.68737898  0.80727808  0.19959727
   0.79126982  0.67198899  0.45068718
   0.57425823  0.55087972  0.37139382
   0.59640163  0.58833380  0.56954561
   0.80443094  0.70172156  0.79335820
   0.55749385  0.79952034  0.44870221
   0.91374630  0.95510157  0.82863286
   0.94501836  0.84210216  0.66417778
   0.70026642  0.92078461  0.72059014
   0.78335929  0.63543468  0.97961635
   0.53959910  0.65869922  0.89700148
   0.72480552  0.84067108  0.55120294
   0.46612051  0.79996166  0.43603810
   0.89715747  0.22969930  0.05813704
   0.94051478  0.39351077  0.32439157
   0.33181414  0.11381551  0.63973873
   0.27425318  0.74707028  0.76308167
   0.19611295  1.08705108  0.19683303
   0.22515731  1.13093216  0.05537143
   0.64334668  0.37396543  0.82097563
   0.93704057  0.44830552  0.64781237
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923957    0.467280   -0.258824
    -0.000000    9.928958   -0.073723
    -0.000000    0.000000   13.907800
   Si   O    H 
    32    64    10
Direct configuration=  2223
   0.13566220  0.18740848 -0.02723045
   0.33404602  0.08753108  0.37383133
   0.12686647  0.41945856  0.10538808
   0.37557075  0.34159052  0.24759432
   0.07212496  0.15810536  0.49522932
   0.37621096  0.11785124  0.85798272
   0.14877100  0.41466566  0.61048092
   0.38896576  0.35529020  0.74449346
   0.13824873  0.67846632 -0.00975546
   0.41741812  0.58281242  0.35577677
   0.08406745  0.88186026  0.14237567
   0.34554016  0.83541749  0.25379360
   0.17929475  0.64958634  0.48638580
   0.39155223  0.62173282  0.85943998
   0.06349753  0.90457513  0.61198184
   0.34346196  0.96641292  0.67990427
   0.60814062  0.14726401  1.00021467
   0.83770379  0.10769201  0.33367923
   0.61424151  0.41004285  0.10969819
   0.89075049  0.29080001  0.15446725
   0.60472058  0.17140016  0.48490639
   0.86770458  0.10438685  0.87366279
   0.61548347  0.43703975  0.61523104
   0.77124798  0.35688050  0.77775187
   0.62315599  0.67114211 -0.00254452
   0.89896586  0.59727637  0.37970913
   0.58567813  0.91322866  0.12911630
   0.84083325  0.82086206  0.23353419
   0.63259108  0.65106888  0.46168784
   0.87278080  0.60439885  0.88340240
   0.63953335  0.91732837  0.61234696
   0.84020420  0.84911171  0.75953840
   0.09416185  0.04312235  0.16028928
   0.31921862  0.19847251  0.27741009
   0.12514710  0.33952724  0.00352098
   0.34374817  0.44159143  0.34366989
   0.52134460  0.35559814  0.20019963
   0.27819234  0.38948010  0.14806136
   0.20386050  0.10760268  0.44242046
  -0.04137489  0.17173190  0.40845116
   0.02714530  0.04797513  0.57055734
   0.45819426  0.22039468  0.78879889
   0.10656471  0.30393335  0.53244202
   0.37023272  0.46392666  0.83060441
   0.48883346  0.41991526  0.67488009
   0.24475149  0.33152649  0.68974451
   0.22786947  0.18516009 -0.12332010
  -0.00210590  0.11295571  0.94343979
   0.12105583  0.56972309  0.07495254
   0.40659001  0.68368215  0.27013659
   0.10954422  0.82524569  0.03308518
   0.35092322  0.92663068  0.35088012
   0.43179368  0.89234680  0.16349246
   0.18369634  0.82140646  0.22538804
   0.32589013  0.66831302  0.44191178
   0.06182865  0.60280135  0.40626629
   0.23083688  0.53610527  0.56741900
   0.36408087  0.68387742  0.75800843
   0.11567605  0.80235492  0.52327919
   0.38540894  0.97009530  0.79332862
   0.46836786  0.89171550  0.61550883
   0.20443608  0.89416554  0.68259387
   0.29419561  0.66191324 -0.04797123
   0.03173139  0.64775177  0.90055862
   0.62110863  0.06404100  0.10355074
   0.86147247  0.18743591  0.23611144
   0.58934692  0.29827483  0.02676652
   0.86526450  0.44205594  0.36671165
   0.02045427  0.37455468  0.18489987
   0.76493484  0.39888437  0.14617279
   0.69305995  0.15376189  0.38329364
   0.46731801  0.13038450  0.42890719
   0.63517879  0.08517122  0.58325896
   0.84825178  0.21426113  0.79557694
   0.60448549  0.31957508  0.53546205
   0.86312412  0.45778854  0.84070343
   1.02347732  0.47388688  0.66766533
   0.75872029  0.40895863  0.66674326
   0.72858040  0.09891893  0.92887803
   0.46331101  0.09486863  0.95786545
   0.57800425  0.56212188  0.08376843
   0.89791955  0.69006014  0.28697001
   0.59901260  0.83017645  0.02406614
   0.85460859  0.94022383  0.32021181
   0.92793353  0.84074258  0.13913004
   0.68460415  0.81008014  0.19890155
   0.79215653  0.67221231  0.45122855
   0.57408833  0.55133849  0.37212294
   0.59750012  0.58760505  0.57001657
   0.80290043  0.70235800  0.79424951
   0.55912864  0.79920998  0.44766507
   0.91381633  0.95522154  0.82799505
   0.94530855  0.84269734  0.66451707
   0.69999676  0.92164347  0.72011929
   0.78199959  0.63475410  0.98001819
   0.53915502  0.65729721  0.89729257
   0.72592736  0.83825575  0.55019279
   0.45857952  0.79907628  0.43989885
   0.89094659  0.23206606  0.05807196
   0.93522517  0.39438756  0.33153472
   0.32542747  0.10303843  0.63998139
   0.26383885  0.75021472  0.76204057
   0.19438247  1.08168463  0.19867487
   0.22087267  1.13486051  0.05183936
   0.64414184  0.37863078  0.82082925
   0.93601936  0.45238703  0.64370739
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922338    0.466830   -0.258731
    -0.000000    9.927792   -0.074379
    -0.000000    0.000000   13.908929
   Si   O    H 
    32    64    10
Direct configuration=  2224
   0.13569099  0.18761763 -0.02775992
   0.33428933  0.08831891  0.37497093
   0.12702631  0.41813794  0.10517683
   0.37479692  0.34118364  0.24714191
   0.07275064  0.15644525  0.49438173
   0.37679019  0.11751197  0.85875420
   0.14966328  0.41322544  0.61097596
   0.38924443  0.35412355  0.74409984
   0.13621773  0.67886989 -0.00937646
   0.41645092  0.58228838  0.35561193
   0.08592919  0.88195781  0.14198843
   0.34561766  0.83449220  0.25395498
   0.17799696  0.65026037  0.48689623
   0.39176940  0.62253186  0.85899038
   0.06413320  0.90447434  0.61193074
   0.34274558  0.96677413  0.67929444
   0.60799090  0.14700498  1.00002773
   0.83859049  0.10759869  0.33473728
   0.61409453  0.40990308  0.11042037
   0.88991629  0.29182780  0.15378254
   0.60486876  0.17165203  0.48442095
   0.86887430  0.10384010  0.87432225
   0.61587556  0.43681733  0.61626639
   0.76932042  0.35749178  0.77776497
   0.62167774  0.67134666 -0.00285177
   0.89971705  0.59718738  0.38004715
   0.58445537  0.91279656  0.12953614
   0.84000814  0.82021451  0.23292365
   0.63161823  0.65306938  0.46173470
   0.87276535  0.60517575  0.88368024
   0.63939925  0.91676934  0.61293765
   0.84013868  0.84973012  0.75986342
   0.09405143  0.04231105  0.15938062
   0.32014521  0.19798000  0.27796078
   0.12454901  0.33707873  0.00238060
   0.34202045  0.44191670  0.34286570
   0.52239919  0.35568257  0.20136128
   0.27754660  0.38780737  0.14800368
   0.20252804  0.10793115  0.44125628
  -0.03932950  0.17291422  0.40772471
   0.02566279  0.04859908  0.56951861
   0.45790770  0.22155340  0.78813202
   0.10727283  0.30666239  0.53186595
   0.37049736  0.46466532  0.83101051
   0.48839933  0.42044295  0.67510600
   0.24652782  0.33177153  0.68941770
   0.22818634  0.18424300 -0.12280530
  -0.00271284  0.11142057  0.94392246
   0.12171820  0.56923132  0.07669838
   0.40754983  0.68407659  0.27178766
   0.10975917  0.82440238  0.03388058
   0.35326765  0.92533556  0.35080305
   0.43267402  0.89356930  0.16461606
   0.18275347  0.82192851  0.22620928
   0.32493465  0.66632588  0.44174720
   0.06109071  0.60285159  0.40695150
   0.23125379  0.53629190  0.56649081
   0.36324084  0.68500557  0.75826719
   0.11704176  0.80312292  0.52185773
   0.38433692  0.97201766  0.79370641
   0.46739768  0.89248126  0.61554433
   0.20366449  0.89380624  0.68344607
   0.29451832  0.66283091 -0.04759092
   0.03117595  0.64880258  0.89998811
   0.62050973  0.06441157  0.10420708
   0.86329560  0.18658592  0.23583858
   0.58980453  0.30058192  0.02716945
   0.86378300  0.44125355  0.36606513
   0.02028562  0.37372317  0.18397561
   0.76455589  0.40051604  0.14565006
   0.69483131  0.15284400  0.38358902
   0.46693662  0.13205916  0.42790095
   0.63624049  0.08582673  0.58396073
   0.84588032  0.21251549  0.79500099
   0.60370958  0.31869237  0.53650159
   0.86218115  0.45737426  0.83971122
   1.02284791  0.47496368  0.66695608
   0.75853415  0.40929843  0.66613831
   0.72725489  0.09822250  0.92797717
   0.46452973  0.09287834  0.95810206
   0.57922503  0.55964339  0.08356742
   0.89937092  0.68940946  0.28688286
   0.59782768  0.83159652  0.02432897
   0.85572590  0.94026024  0.31954337
   0.92745344  0.84105167  0.14034588
   0.68258535  0.81395904  0.19857598
   0.79225468  0.67233224  0.45141331
   0.57501058  0.55221823  0.37308118
   0.59789191  0.58662336  0.56965851
   0.80176958  0.70235652  0.79610646
   0.56068532  0.79909678  0.44670530
   0.91283949  0.95595146  0.82821786
   0.94567494  0.84342856  0.66486705
   0.70042968  0.92137003  0.71993377
   0.78050402  0.63402176  0.97991012
   0.53901037  0.65579735  0.89734787
   0.72700060  0.83505116  0.54861761
   0.45776480  0.79799040  0.44550910
   0.88793091  0.23333144  0.05575475
   0.92929904  0.39134421  0.33694699
   0.32172266  0.09740140  0.63866724
   0.27032274  0.74670643  0.75725990
   0.17860951  1.07575678  0.19563556
   0.21744857  1.13618470  0.04540145
   0.64456445  0.37779828  0.82550717
   0.92976256  0.45364844  0.63846819
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921157    0.466358   -0.258697
    -0.000000    9.926586   -0.074732
    -0.000000    0.000000   13.909859
   Si   O    H 
    32    64    10
Direct configuration=  2225
   0.13514136  0.18679162 -0.02809876
   0.33535501  0.08867954  0.37618660
   0.12762454  0.41720738  0.10513478
   0.37402296  0.34005705  0.24704491
   0.07348730  0.15522330  0.49375753
   0.37822073  0.11735962  0.85973343
   0.15063677  0.41159340  0.61145538
   0.38939373  0.35412908  0.74436991
   0.13445004  0.67908803 -0.00897390
   0.41454790  0.58169211  0.35568341
   0.08755548  0.88229986  0.14182256
   0.34628916  0.83359159  0.25416030
   0.17654696  0.65165737  0.48731866
   0.39141059  0.62357335  0.85856101
   0.06543488  0.90395365  0.61182866
   0.34203481  0.96717897  0.67888471
   0.60842586  0.14709257  1.00029913
   0.83922695  0.10714660  0.33596761
   0.61393406  0.40991123  0.11115800
   0.88825610  0.29300976  0.15357955
   0.60524319  0.17120310  0.48375657
   0.86987445  0.10243001  0.87553499
   0.61597974  0.43669765  0.61661243
   0.76805795  0.35846563  0.77764703
   0.61992033  0.67182140 -0.00313386
   0.90072390  0.59652642  0.38016241
   0.58335080  0.91172575  0.12918380
   0.83874895  0.82022530  0.23280013
   0.63104614  0.65448434  0.46160090
   0.87278174  0.60588580  0.88413376
   0.63917598  0.91707077  0.61308775
   0.84042192  0.85071896  0.76004939
   0.09422189  0.04228847  0.15836235
   0.32096128  0.19642236  0.27883774
   0.12403085  0.33554748  0.00170152
   0.34073784  0.44247359  0.34226245
   0.52330734  0.35571998  0.20213803
   0.27788911  0.38566944  0.14751462
   0.20156331  0.10827292  0.43955814
  -0.03723726  0.17321533  0.40718533
   0.02414529  0.04994364  0.56892135
   0.45753730  0.22206884  0.78765574
   0.10723640  0.30938363  0.53094933
   0.37138730  0.46488776  0.83188619
   0.48773233  0.42140481  0.67536501
   0.24740530  0.33196156  0.68992741
   0.22876768  0.18339856 -0.12293361
  -0.00328569  0.11024530  0.94417156
   0.12128581  0.56953289  0.07832472
   0.40810362  0.68450655  0.27296463
   0.10997854  0.82415406  0.03431971
   0.35484373  0.92426344  0.34995468
   0.43367401  0.89548628  0.16622994
   0.18271893  0.82232119  0.22740055
   0.32470098  0.66433849  0.44169373
   0.06017625  0.60272523  0.40755178
   0.23227118  0.53694291  0.56518619
   0.36151258  0.68758343  0.75819892
   0.11904303  0.80314878  0.52053172
   0.38408621  0.97372694  0.79445133
   0.46687775  0.89400152  0.61528098
   0.20249239  0.89404680  0.68436714
   0.29398252  0.66339992 -0.04713038
   0.03108545  0.64973572  0.89958584
   0.62055385  0.06521850  0.10553375
   0.86417948  0.18527759  0.23599953
   0.59021894  0.30199844  0.02753215
   0.86202403  0.44065585  0.36579929
   0.02088303  0.37370885  0.18300269
   0.76460384  0.40232875  0.14498915
   0.69650052  0.15296295  0.38385961
   0.46693383  0.13352607  0.42739712
   0.63711692  0.08579637  0.58463502
   0.84485305  0.21151178  0.79441455
   0.60364669  0.31777246  0.53731836
   0.86123243  0.45696147  0.83764316
   1.02209786  0.47578730  0.66604482
   0.75915414  0.40955562  0.66558380
   0.72611527  0.09744041  0.92699801
   0.46519119  0.09140741  0.95846126
   0.58074375  0.55841728  0.08322828
   0.90047929  0.68890490  0.28552897
   0.59641895  0.83240895  0.02469216
   0.85639757  0.93994066  0.31883542
   0.92655036  0.84150662  0.14117355
   0.68141556  0.81871375  0.19826707
   0.79257485  0.67233310  0.45214762
   0.57545887  0.55343054  0.37376007
   0.59796910  0.58609684  0.56968654
   0.80100600  0.70244865  0.79781981
   0.56224076  0.79948726  0.44588303
   0.91286779  0.95666579  0.82815275
   0.94554805  0.84332073  0.66537085
   0.70087978  0.92207586  0.71970618
   0.77925323  0.63342075  0.97913925
   0.53811129  0.65452566  0.89773327
   0.72623807  0.83234222  0.54990094
   0.46295446  0.80217272  0.45120432
   0.88653255  0.23728792  0.05254520
   0.93753767  0.37684964  0.33457676
   0.31540716  0.09696116  0.63606651
   0.28469275  0.73564468  0.75269448
   0.15808827  1.06675544  0.19025102
   0.21749033  1.13012330  0.04312300
   0.64456957  0.37775660  0.82975752
   0.93050255  0.45778712  0.63727711
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919912    0.465848   -0.258061
    -0.000000    9.925775   -0.074737
    -0.000000    0.000000   13.910497
   Si   O    H 
    32    64    10
Direct configuration=  2226
   0.13532892  0.18489438 -0.02863650
   0.33702341  0.08908533  0.37677083
   0.12831189  0.41673851  0.10499608
   0.37381138  0.33995406  0.24624051
   0.07372995  0.15389210  0.49322415
   0.37956368  0.11688329  0.86032013
   0.15170762  0.41029223  0.61195249
   0.38975037  0.35458920  0.74491372
   0.13300788  0.67931110 -0.00874938
   0.41229665  0.58092231  0.35639198
   0.08854904  0.88233269  0.14204100
   0.34694994  0.83260593  0.25431325
   0.17539159  0.65227989  0.48738381
   0.39086562  0.62372948  0.85807538
   0.06716079  0.90211023  0.61183952
   0.34175096  0.96796531  0.67921278
   0.60878321  0.14658400  1.00040291
   0.84013319  0.10661960  0.33699618
   0.61383603  0.40959384  0.11240104
   0.88678307  0.29344912  0.15282765
   0.60532028  0.17117334  0.48304781
   0.87052923  0.10062529  0.87663360
   0.61539083  0.43666076  0.61680680
   0.76687683  0.35941926  0.77798911
   0.61834489  0.67244861 -0.00273477
   0.90184488  0.59548039  0.38060180
   0.58280588  0.91088272  0.12859511
   0.83802826  0.82047360  0.23324448
   0.63096575  0.65507375  0.46104899
   0.87180831  0.60654537  0.88467413
   0.63851954  0.91786310  0.61335386
   0.84139446  0.85157683  0.75967294
   0.09261497  0.04137612  0.15723517
   0.32168013  0.19471711  0.27981901
   0.12327928  0.33563053  0.00083193
   0.34033767  0.44289371  0.34119742
   0.52325437  0.35598399  0.20314362
   0.27886705  0.38360900  0.14783605
   0.20127338  0.10852614  0.43763801
  -0.03530408  0.17293605  0.40657404
   0.02283222  0.05176800  0.56829402
   0.45753116  0.22239431  0.78802318
   0.10733515  0.31129333  0.53020930
   0.37222549  0.46529009  0.83273587
   0.48703545  0.42099178  0.67607817
   0.24844352  0.33249518  0.69045062
   0.22934972  0.18282380 -0.12317284
  -0.00333835  0.10930784  0.94493259
   0.12098451  0.57064673  0.08006525
   0.40788957  0.68491690  0.27336594
   0.11112195  0.82463439  0.03505353
   0.35661944  0.92327499  0.34925241
   0.43356241  0.89716141  0.16783820
   0.18324923  0.82239175  0.22866208
   0.32496398  0.66250714  0.44220424
   0.05854837  0.60211484  0.40833001
   0.23313290  0.53796494  0.56342278
   0.36124592  0.68980183  0.75760864
   0.12075009  0.80257224  0.52001399
   0.38404056  0.97574901  0.79574506
   0.46638381  0.89561764  0.61517092
   0.20142252  0.89406079  0.68469326
   0.29374837  0.66367830 -0.04710003
   0.03065351  0.64966279  0.89915369
   0.62063930  0.06652096  0.10662835
   0.86462710  0.18370942  0.23590182
   0.59145041  0.30377002  0.02758537
   0.86080482  0.43845746  0.36548960
   0.02123913  0.37313224  0.18212205
   0.76454548  0.40454397  0.14455604
   0.69803166  0.15331984  0.38481314
   0.46693292  0.13441907  0.42758087
   0.63885399  0.08535964  0.58560362
   0.84264954  0.21063969  0.79351921
   0.60327917  0.31714166  0.53796262
   0.86092967  0.45714251  0.83634111
   1.02107525  0.47628744  0.66495203
   0.76085474  0.41052677  0.66566259
   0.72535505  0.09619902  0.92658114
   0.46625679  0.08970579  0.95888086
   0.58166650  0.55796833  0.08239967
   0.90036353  0.68797646  0.28431204
   0.59525015  0.83311556  0.02483162
   0.85662544  0.94024661  0.31846713
   0.92654652  0.84132854  0.14070560
   0.68007219  0.82316428  0.19855088
   0.79286209  0.67211539  0.45294560
   0.57560422  0.55400711  0.37399110
   0.59864768  0.58622452  0.56949502
   0.80068481  0.70276325  0.79973609
   0.56351681  0.80008857  0.44470048
   0.91269141  0.95711231  0.82776939
   0.94514715  0.84251879  0.66583078
   0.70074787  0.92286313  0.71938672
   0.77839878  0.63301037  0.97879028
   0.53761927  0.65324851  0.89834583
   0.72507487  0.82998028  0.55210540
   0.47002904  0.80776146  0.45568862
   0.88713784  0.24009575  0.05169268
   0.93799580  0.37113507  0.33404940
   0.30919931  0.09616070  0.63264562
   0.27877773  0.73769254  0.74571521
   0.17131359  1.07647348  0.20409240
   0.22408485  1.12244570  0.04234687
   0.64178078  0.37488479  0.83253467
   0.93565994  0.46517765  0.63853213
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918634    0.465005   -0.256777
    -0.000000    9.924835   -0.074215
    -0.000000    0.000000   13.910816
   Si   O    H 
    32    64    10
Direct configuration=  2227
   0.13518685  0.18297063 -0.02904893
   0.33843414  0.09050695  0.37760047
   0.12918023  0.41606502  0.10447496
   0.37372190  0.34094497  0.24554328
   0.07400356  0.15314163  0.49242968
   0.38019523  0.11652089  0.86089846
   0.15343564  0.40977140  0.61204727
   0.38950414  0.35568523  0.74590046
   0.13271040  0.67913671 -0.00909805
   0.41010919  0.58095546  0.35704220
   0.08875159  0.88235424  0.14202460
   0.34711451  0.83172805  0.25400667
   0.17424386  0.65255262  0.48715835
   0.39012628  0.62341247  0.85809719
   0.06863728  0.90060245  0.61148402
   0.34115430  0.96853402  0.67976323
   0.60873474  0.14577561  1.00037774
   0.84138673  0.10634931  0.33770901
   0.61327534  0.40902789  0.11358424
   0.88578137  0.29372745  0.15193116
   0.60568481  0.17157702  0.48260011
   0.87091611  0.09938873  0.87749773
   0.61492220  0.43627393  0.61687046
   0.76539578  0.36022177  0.77825663
   0.61695082  0.67313191 -0.00189757
   0.90281722  0.59447639  0.38040718
   0.58252062  0.90981003  0.12784034
   0.83757909  0.82077346  0.23349590
   0.63119931  0.65558957  0.46099706
   0.87074375  0.60761788  0.88517220
   0.63781643  0.91882015  0.61327153
   0.84175736  0.85228411  0.75935048
   0.09066113  0.04076945  0.15636418
   0.32234024  0.19254199  0.28068812
   0.12163947  0.33635400 -0.00043579
   0.34019128  0.44234413  0.33972618
   0.52314704  0.35618812  0.20420318
   0.27982664  0.38104010  0.14780643
   0.20332873  0.10813132  0.43554038
  -0.03413409  0.17365587  0.40630832
   0.02096426  0.05340464  0.56840162
   0.45827425  0.22217666  0.78861185
   0.10640084  0.31208500  0.52896852
   0.37260252  0.46545517  0.83338068
   0.48718095  0.42075910  0.67684999
   0.24928627  0.33250757  0.69065955
   0.23075138  0.18224483 -0.12379000
  -0.00274110  0.10905260  0.94566075
   0.12041431  0.57232274  0.08118039
   0.40812804  0.68656593  0.27302852
   0.11233456  0.82460092  0.03552383
   0.35803771  0.92328346  0.34914890
   0.43326992  0.89881820  0.16919562
   0.18361182  0.82171048  0.22977391
   0.32573395  0.66061456  0.44264448
   0.05724595  0.60122884  0.40901074
   0.23325276  0.53933133  0.56240640
   0.36160426  0.69192010  0.75689147
   0.12141738  0.80236548  0.51912482
   0.38413136  0.97748516  0.79675012
   0.46586145  0.89712679  0.61526560
   0.20040421  0.89316626  0.68467709
   0.29380625  0.66381873 -0.04748278
   0.02978869  0.64991349  0.89887713
   0.62043288  0.06810422  0.10791646
   0.86457286  0.18115147  0.23567963
   0.59246095  0.30533376  0.02781717
   0.86041885  0.43598710  0.36462983
   0.02190234  0.37240039  0.18130840
   0.76584348  0.40603297  0.14402058
   0.70029991  0.15363442  0.38593110
   0.46814466  0.13573048  0.42778421
   0.63987600  0.08455996  0.58590117
   0.83948514  0.21086353  0.79314101
   0.60259054  0.31569815  0.53808134
   0.86202135  0.45805963  0.83532174
   1.02078104  0.47779926  0.66386640
   0.76283690  0.41193396  0.66554439
   0.72439550  0.09548915  0.92636778
   0.46763569  0.08786923  0.95935305
   0.58244418  0.55830392  0.08088444
   0.90081879  0.68634915  0.28365068
   0.59348673  0.83373489  0.02498077
   0.85605952  0.94054111  0.31801577
   0.92635965  0.84164917  0.14005601
   0.67953448  0.82729844  0.19905250
   0.79276384  0.67188633  0.45384730
   0.57545337  0.55563290  0.37436415
   0.59946769  0.58690481  0.56848553
   0.80108696  0.70339570  0.80136339
   0.56483461  0.80097299  0.44328036
   0.91256262  0.95737573  0.82761634
   0.94427297  0.84178548  0.66656985
   0.70061026  0.92258588  0.71944712
   0.77690996  0.63276697  0.97795775
   0.53768442  0.65188798  0.89871222
   0.72355712  0.82864282  0.55721834
   0.47050133  0.81489948  0.46069328
   0.88821302  0.24191651  0.05559559
   0.93249817  0.37488860  0.33749906
   0.30349006  0.09462130  0.62866789
   0.26496149  0.74470327  0.73723844
   0.17163282  1.08275924  0.21064321
   0.23083394  1.11335478  0.03953475
   0.63893346  0.36896546  0.83357495
   0.93339363  0.47146665  0.63659122
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917639    0.463834   -0.254225
    -0.000000    9.924404   -0.073886
    -0.000000    0.000000   13.911167
   Si   O    H 
    32    64    10
Direct configuration=  2228
   0.13531199  0.18165856 -0.02953537
   0.33989266  0.09118536  0.37740314
   0.13022711  0.41548005  0.10351586
   0.37295363  0.34117911  0.24520794
   0.07405260  0.15280204  0.49220573
   0.38113099  0.11657022  0.86158680
   0.15502718  0.40976926  0.61214739
   0.38950967  0.35721155  0.74691072
   0.13272854  0.67827558 -0.00970479
   0.40844905  0.58158438  0.35785408
   0.08914140  0.88161177  0.14184662
   0.34762407  0.83133934  0.25386421
   0.17400497  0.65257093  0.48675987
   0.38901510  0.62338184  0.85836057
   0.06995717  0.89992263  0.61141954
   0.34034291  0.96902267  0.67982118
   0.60849469  0.14518692  1.00091909
   0.84281006  0.10616571  0.33848605
   0.61275230  0.40796870  0.11479051
   0.88518393  0.29426037  0.15137490
   0.60631287  0.17149317  0.48220685
   0.87106615  0.09822647  0.87757673
   0.61362053  0.43622452  0.61664195
   0.76371592  0.36059333  0.77866811
   0.61550002  0.67301772 -0.00112976
   0.90336442  0.59374879  0.37999966
   0.58250298  0.90951574  0.12728502
   0.83753661  0.82020947  0.23403213
   0.63182684  0.65591369  0.46103957
   0.86981321  0.60838957  0.88524290
   0.63724860  0.92029918  0.61321696
   0.84196888  0.85325345  0.75859522
   0.09064261  0.04047860  0.15629427
   0.32339656  0.19032004  0.28183554
   0.12032567  0.33648417 -0.00114941
   0.34055475  0.44105623  0.33854383
   0.52328215  0.35619535  0.20531772
   0.28152651  0.37876500  0.14783321
   0.20600947  0.10663855  0.43293728
  -0.03329747  0.17272044  0.40591032
   0.01956378  0.05467541  0.56910498
   0.45960829  0.22139382  0.78946516
   0.10560347  0.31204370  0.52720985
   0.37363119  0.46533654  0.83382199
   0.48711290  0.42025579  0.67763626
   0.24997622  0.33228789  0.69120039
   0.23246526  0.18129095 -0.12455967
  -0.00207574  0.10968507  0.94615094
   0.11949378  0.57395529  0.08224081
   0.40792251  0.68705115  0.27196954
   0.11371316  0.82501772  0.03603270
   0.35891526  0.92388241  0.34909222
   0.43261501  0.89936386  0.16990826
   0.18409878  0.82149489  0.23088835
   0.32603070  0.65876867  0.44257867
   0.05774862  0.60071936  0.41033381
   0.23289255  0.54060312  0.56114301
   0.36156509  0.69487087  0.75636730
   0.12235051  0.80189817  0.51860325
   0.38397754  0.97889294  0.79741395
   0.46544151  0.89862291  0.61527485
   0.19863941  0.89263713  0.68460463
   0.29411692  0.66401740 -0.04775995
   0.02865068  0.64983560  0.89870792
   0.62066168  0.06910927  0.10904455
   0.86481003  0.17868459  0.23517073
   0.59435469  0.30633241  0.02789938
   0.86069274  0.43489169  0.36422844
   0.02166946  0.37161976  0.18052396
   0.76715646  0.40772867  0.14454860
   0.70343224  0.15299996  0.38743810
   0.46967085  0.13649171  0.42835181
   0.64077030  0.08370331  0.58535253
   0.83645760  0.21109113  0.79320473
   0.60177231  0.31425249  0.53813514
   0.86352908  0.45960060  0.83439190
   1.02071766  0.47944578  0.66352525
   0.76471876  0.41322427  0.66572472
   0.72351237  0.09498208  0.92689439
   0.46908152  0.08665135  0.96005560
   0.58291416  0.55916528  0.07955261
   0.90180317  0.68418212  0.28306987
   0.59142977  0.83407917  0.02454615
   0.85618601  0.94104420  0.31699389
   0.92700509  0.84176615  0.13951136
   0.67853880  0.83039746  0.19996784
   0.79279218  0.67115843  0.45432180
   0.57492722  0.55701267  0.37536511
   0.60076645  0.58777344  0.56762818
   0.80132422  0.70434739  0.80215478
   0.56631666  0.80219898  0.44194382
   0.91210408  0.95707338  0.82745178
   0.94323449  0.84122110  0.66733830
   0.70017721  0.92209393  0.71929866
   0.77671875  0.63266232  0.97761885
   0.53842803  0.65070395  0.89854239
   0.71887592  0.83246835  0.56458599
   0.47257825  0.81930179  0.46367557
   0.89206577  0.23972533  0.05749147
   0.92265073  0.38491658  0.34110246
   0.29766315  0.09469780  0.62510358
   0.26415806  0.74197757  0.73194094
   0.16102752  1.08430216  0.20638506
   0.23589128  1.10377668  0.03495988
   0.63731398  0.36475479  0.83129802
   0.92310908  0.47533775  0.63486463
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917041    0.462559   -0.251593
    -0.000000    9.923917   -0.073276
    -0.000000    0.000000   13.911121
   Si   O    H 
    32    64    10
Direct configuration=  2229
   0.13629624  0.18032222 -0.02983761
   0.34125376  0.09126954  0.37683864
   0.13127783  0.41473752  0.10254995
   0.37185026  0.34098406  0.24494418
   0.07447536  0.15333741  0.49169877
   0.38223645  0.11672484  0.86172981
   0.15669133  0.41035495  0.61203863
   0.38901235  0.35911663  0.74808674
   0.13297063  0.67729650 -0.01018704
   0.40749325  0.58219498  0.35839933
   0.08984194  0.88083394  0.14199842
   0.34802462  0.83070521  0.25378599
   0.17346792  0.65239386  0.48617789
   0.38681173  0.62361744  0.85849501
   0.07130993  0.89923167  0.61115504
   0.34002224  0.97012867  0.68023457
   0.60824361  0.14455859  1.00118531
   0.84426544  0.10587245  0.33949197
   0.61247646  0.40745102  0.11595981
   0.88507304  0.29473234  0.15110563
   0.60673744  0.17217892  0.48166128
   0.87087424  0.09744045  0.87723105
   0.61205528  0.43653037  0.61573522
   0.76236654  0.36144468  0.77907036
   0.61442227  0.67259919 -0.00036876
   0.90345393  0.59327253  0.37953110
   0.58217863  0.90958051  0.12634417
   0.83767767  0.81976721  0.23436675
   0.63224339  0.65548055  0.46153176
   0.86901748  0.60899803  0.88491494
   0.63607408  0.92161613  0.61330508
   0.84230742  0.85408042  0.75825446
   0.09207361  0.04143144  0.15657705
   0.32466522  0.18894435  0.28285670
   0.11849239  0.33685652 -0.00151727
   0.34042639  0.43915731  0.33713390
   0.52436304  0.35600354  0.20645508
   0.28275737  0.37632813  0.14784623
   0.20793865  0.10597160  0.43072163
  -0.03313872  0.17105270  0.40546495
   0.01774752  0.05545558  0.57007220
   0.45988441  0.21972905  0.79053447
   0.10507328  0.31202546  0.52599856
   0.37384677  0.46456687  0.83438137
   0.48752387  0.42034840  0.67817592
   0.24997876  0.33267882  0.69161387
   0.23406683  0.18132264 -0.12559652
  -0.00115635  0.11043883  0.94686132
   0.11886490  0.57678467  0.08333084
   0.40766243  0.68796421  0.27069734
   0.11592762  0.82568601  0.03684713
   0.35956738  0.92560029  0.34938953
   0.43181796  0.89992339  0.17052415
   0.18447722  0.82081431  0.23154821
   0.32580268  0.65715429  0.44220101
   0.05874290  0.59986083  0.41146645
   0.23199275  0.54162873  0.55997738
   0.36030188  0.69761974  0.75594367
   0.12268491  0.80213886  0.51863980
   0.38410576  0.98033825  0.79831902
   0.46517835  0.90047899  0.61516891
   0.19672233  0.89200581  0.68479380
   0.29436474  0.66427136 -0.04793507
   0.02741407  0.64937932  0.89866739
   0.62100311  0.07015565  0.11006777
   0.86494038  0.17696417  0.23435457
   0.59637535  0.30744612  0.02725281
   0.85932179  0.43531811  0.36466324
   0.02114551  0.37128878  0.18015113
   0.76793273  0.40885103  0.14508837
   0.70647665  0.15194108  0.38863231
   0.47077822  0.13717970  0.42898189
   0.64235616  0.08228402  0.58538722
   0.83360293  0.21121260  0.79339020
   0.60078260  0.31381428  0.53798901
   0.86574896  0.46091968  0.83336331
   1.02073871  0.48102184  0.66379662
   0.76625233  0.41491038  0.66639366
   0.72274041  0.09439710  0.92766944
   0.47109816  0.08612193  0.96088683
   0.58239915  0.55966559  0.07829720
   0.90207110  0.68212386  0.28223511
   0.58992083  0.83433383  0.02408767
   0.85568999  0.94202966  0.31629470
   0.92735153  0.84124609  0.13922820
   0.67742764  0.83288861  0.20075861
   0.79300282  0.66989594  0.45435704
   0.57400488  0.55831093  0.37652461
   0.60281950  0.58848181  0.56695923
   0.80173242  0.70555282  0.80201110
   0.56741736  0.80374338  0.44106465
   0.91195364  0.95606649  0.82712149
   0.94171631  0.84027939  0.66796676
   0.69883247  0.92138943  0.71879287
   0.77647298  0.63289307  0.97730908
   0.53881153  0.64963076  0.89787868
   0.72047407  0.82769458  0.56846958
   0.47862998  0.82260808  0.46579128
   0.89721576  0.23569739  0.05692927
   0.94453986  0.37023486  0.33199082
   0.29334757  0.09536040  0.62507684
   0.27591052  0.73489881  0.73105667
   0.14507922  1.07914377  0.19515209
   0.23686834  1.09785151  0.03224873
   0.63507666  0.35979775  0.82778828
   0.92191102  0.47495160  0.63639140
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916535    0.460965   -0.248587
    -0.000000    9.923700   -0.072026
    -0.000000    0.000000   13.911215
   Si   O    H 
    32    64    10
Direct configuration=  2230
   0.13828659  0.17924690 -0.02984804
   0.34212990  0.09109574  0.37600150
   0.13240738  0.41407474  0.10167705
   0.37055634  0.34060424  0.24447035
   0.07507593  0.15435120  0.49161941
   0.38414398  0.11591395  0.86160400
   0.15839144  0.41084987  0.61210502
   0.38791943  0.36061764  0.74947642
   0.13353024  0.67701018 -0.01037928
   0.40667145  0.58275107  0.35865063
   0.08975490  0.88028362  0.14189584
   0.34721657  0.83005079  0.25336577
   0.17280859  0.65204828  0.48574866
   0.38531247  0.62388591  0.85833617
   0.07160122  0.89909147  0.61109144
   0.33974439  0.97067776  0.68095801
   0.60833858  0.14395597  1.00141266
   0.84624877  0.10536300  0.34028640
   0.61191422  0.40732213  0.11687149
   0.88483049  0.29431863  0.15129931
   0.60736987  0.17271259  0.48156804
   0.86986143  0.09694120  0.87652860
   0.61124881  0.43780075  0.61457228
   0.76091163  0.36199017  0.77966111
   0.61396861  0.67218972  0.00051717
   0.90355455  0.59267675  0.37922989
   0.58202028  0.91037128  0.12535869
   0.83814646  0.81866262  0.23457311
   0.63262758  0.65371016  0.46190221
   0.86742218  0.60986879  0.88430618
   0.63489787  0.92327917  0.61314074
   0.84208644  0.85475683  0.75820216
   0.09212948  0.04176454  0.15631251
   0.32628636  0.18819246  0.28360732
   0.11665905  0.33736694 -0.00127005
   0.34121253  0.43786047  0.33554629
   0.52568753  0.35589389  0.20786539
   0.28350662  0.37358243  0.14805975
   0.20939417  0.10502517  0.42868333
  -0.03360160  0.16967182  0.40484158
   0.01547200  0.05589168  0.57125826
   0.46062377  0.21891398  0.79109195
   0.10460352  0.31173441  0.52514914
   0.37349858  0.46427530  0.83511104
   0.48799843  0.42071632  0.67863266
   0.24959266  0.33221687  0.69204086
   0.23535588  0.18086388 -0.12707754
  -0.00019422  0.11123660  0.94745174
   0.11804023  0.57903318  0.08399434
   0.40684863  0.68849023  0.26874766
   0.11812110  0.82648565  0.03734676
   0.36029633  0.92730208  0.34920714
   0.43090946  0.90070035  0.17053767
   0.18493412  0.81961863  0.23173911
   0.32564125  0.65640624  0.44157601
   0.05942384  0.59873269  0.41301348
   0.23113494  0.54103173  0.55923744
   0.35803473  0.70087179  0.75576475
   0.12277106  0.80233808  0.51864660
   0.38493758  0.98125903  0.79863450
   0.46552938  0.90146656  0.61535506
   0.19457420  0.89159314  0.68520911
   0.29470748  0.66457762 -0.04808204
   0.02542701  0.64896346  0.89806132
   0.62118323  0.07068716  0.11076636
   0.86519944  0.17527968  0.23396248
   0.59818802  0.30783926  0.02591997
   0.85890551  0.43547428  0.36452758
   0.02070746  0.37177328  0.18000077
   0.76842706  0.40942438  0.14550507
   0.70988215  0.15134213  0.39021998
   0.47243218  0.13735366  0.42938236
   0.64444952  0.08074824  0.58482138
   0.83120101  0.21092304  0.79363942
   0.59979513  0.31270050  0.53700860
   0.86801277  0.46286784  0.83302052
   1.02018450  0.48172666  0.66410952
   0.76713934  0.41683745  0.66702655
   0.72226533  0.09480151  0.92840885
   0.47308577  0.08573336  0.96146379
   0.58178551  0.56126117  0.07742406
   0.90155960  0.67964863  0.28124081
   0.58845287  0.83411107  0.02392331
   0.85578192  0.94259091  0.31621633
   0.92764040  0.84152808  0.13979569
   0.67769110  0.83518507  0.20148852
   0.79395789  0.66876147  0.45406026
   0.57194241  0.55921903  0.37755677
   0.60431221  0.58904508  0.56596302
   0.80264192  0.70742943  0.80206725
   0.56789165  0.80569672  0.44002341
   0.91279601  0.95545414  0.82708333
   0.94114802  0.83955324  0.66851047
   0.69800900  0.92033355  0.71853867
   0.77594440  0.63329066  0.97675139
   0.53872443  0.64917708  0.89690558
   0.72421866  0.82102486  0.56951503
   0.48452738  0.82823589  0.46830677
   0.90347257  0.23011189  0.05782713
   0.95790249  0.36808474  0.33039372
   0.29054447  0.09443075  0.62462104
   0.28143291  0.73007968  0.73000846
   0.15119142  1.08911635  0.19897777
   0.23344413  1.09335156  0.02915948
   0.63281032  0.35668222  0.82286192
   0.92589871  0.47258645  0.63855833
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916239    0.459140   -0.245517
    -0.000000    9.923470   -0.070354
    -0.000000    0.000000   13.911335
   Si   O    H 
    32    64    10
Direct configuration=  2231
   0.14080147  0.17814242 -0.03021272
   0.34309636  0.09091170  0.37504072
   0.13321162  0.41390652  0.10072603
   0.37003978  0.34006477  0.24384831
   0.07563651  0.15532543  0.49157419
   0.38567197  0.11499225  0.86157012
   0.15876248  0.41126886  0.61213666
   0.38669586  0.36235230  0.75119361
   0.13442777  0.67694821 -0.01061935
   0.40666279  0.58292372  0.35853762
   0.08936469  0.87925920  0.14188512
   0.34646717  0.83029572  0.25288123
   0.17156784  0.65182212  0.48542387
   0.38359307  0.62403476  0.85794046
   0.07119129  0.89897301  0.61088168
   0.33989861  0.97189364  0.68152102
   0.60922364  0.14410224  1.00191004
   0.84905905  0.10534950  0.34080971
   0.61088224  0.40756632  0.11778577
   0.88461419  0.29381523  0.15163249
   0.60800356  0.17305859  0.48174582
   0.86911733  0.09638574  0.87606094
   0.61113085  0.43910379  0.61338878
   0.75976244  0.36230532  0.78037023
   0.61435570  0.67177360  0.00065629
   0.90368734  0.59255703  0.37904254
   0.58170280  0.91101137  0.12445193
   0.83856402  0.81715831  0.23481720
   0.63235818  0.65283142  0.46197710
   0.86608321  0.61056151  0.88361675
   0.63337969  0.92529806  0.61309139
   0.84222885  0.85488414  0.75795761
   0.09170544  0.04230987  0.15501607
   0.32844284  0.18672065  0.28415552
   0.11488008  0.33748978 -0.00143048
   0.34151238  0.43765755  0.33401703
   0.52672867  0.35624129  0.20966697
   0.28369196  0.37150545  0.14744179
   0.21014435  0.10424246  0.42766510
  -0.03456275  0.16875181  0.40345356
   0.01348170  0.05609074  0.57264002
   0.46106425  0.21879565  0.79170766
   0.10396665  0.31154181  0.52499653
   0.37262834  0.46456261  0.83583616
   0.48813687  0.42024589  0.67888623
   0.24869304  0.33165545  0.69224364
   0.23652038  0.18116879 -0.12813229
   0.00001939  0.11129859  0.94757783
   0.11745164  0.58090016  0.08448058
   0.40623960  0.68873194  0.26726604
   0.12038417  0.82698377  0.03777554
   0.36053508  0.92894027  0.34862391
   0.43010302  0.90169171  0.17054758
   0.18484346  0.81856363  0.23151414
   0.32514909  0.65648420  0.44112857
   0.05929571  0.59766911  0.41409025
   0.23143049  0.54003625  0.55873783
   0.35775274  0.70364644  0.75687090
   0.12250810  0.80209564  0.51842521
   0.38532212  0.98160321  0.79785893
   0.46586688  0.90228289  0.61511901
   0.19269111  0.89073983  0.68556854
   0.29355255  0.66478762 -0.04804760
   0.02372893  0.64822787  0.89752668
   0.62153195  0.07135843  0.11137510
   0.86502733  0.17380555  0.23353082
   0.59909316  0.30848637  0.02517696
   0.85957718  0.43496698  0.36395201
   0.02093345  0.37280664  0.17944892
   0.76863890  0.40906778  0.14570754
   0.71217349  0.15094814  0.39213542
   0.47307580  0.13764646  0.42975985
   0.64647859  0.07843038  0.58316975
   0.82852296  0.21064395  0.79399848
   0.59907401  0.31262939  0.53639903
   0.86974479  0.46440811  0.83300452
   1.01976064  0.48230140  0.66399530
   0.76668790  0.41788942  0.66713104
   0.72211748  0.09575559  0.92889464
   0.47414983  0.08572484  0.96192598
   0.58070075  0.56307381  0.07655381
   0.90176461  0.67732174  0.28028116
   0.58723156  0.83382626  0.02379813
   0.85570882  0.94358338  0.31582170
   0.92832564  0.84121871  0.14081349
   0.67888238  0.83637662  0.20239197
   0.79515362  0.66819657  0.45356249
   0.56956894  0.55966122  0.37833083
   0.60511837  0.58924589  0.56474623
   0.80379543  0.70988185  0.80185038
   0.56876293  0.80785634  0.43893800
   0.91322345  0.95558356  0.82756458
   0.94119455  0.83862749  0.66890646
   0.69760641  0.91925965  0.71894712
   0.77450362  0.63497255  0.97619391
   0.53906463  0.64859196  0.89618402
   0.72556333  0.81349473  0.56754639
   0.48439309  0.83596467  0.47136403
   0.90403862  0.22724470  0.05945477
   0.95962395  0.37668398  0.33135724
   0.29213936  0.09536957  0.62639852
   0.26122170  0.73240943  0.72036171
   0.15839116  1.09567877  0.20373893
   0.22814756  1.09179930  0.02634627
   0.62635825  0.35611437  0.81900071
   0.93559046  0.47069565  0.64234655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915789    0.457425   -0.242503
    -0.000000    9.923418   -0.068660
    -0.000000    0.000000   13.911750
   Si   O    H 
    32    64    10
Direct configuration=  2232
   0.14358122  0.17727443 -0.03058649
   0.34381168  0.09054454  0.37365582
   0.13411822  0.41441533  0.10013529
   0.36916632  0.33927957  0.24343524
   0.07640022  0.15622287  0.49144506
   0.38736229  0.11423712  0.86157826
   0.15855011  0.41212734  0.61250093
   0.38463416  0.36385098  0.75247447
   0.13456278  0.67693508 -0.01069085
   0.40702012  0.58347807  0.35849740
   0.08908921  0.87800114  0.14231485
   0.34564548  0.83071861  0.25227168
   0.17031462  0.65157153  0.48556742
   0.38202748  0.62450511  0.85767324
   0.07056179  0.89892964  0.60994001
   0.33997461  0.97324166  0.68193283
   0.61122206  0.14467371  1.00240878
   0.85215529  0.10484636  0.34132824
   0.60957273  0.40759487  0.11813473
   0.88435434  0.29212964  0.15257827
   0.60887529  0.17256077  0.48184257
   0.86818499  0.09534074  0.87569160
   0.61170913  0.43991582  0.61273336
   0.75897258  0.36252463  0.78153926
   0.61512695  0.67073633  0.00036949
   0.90351632  0.59311876  0.37891126
   0.58054847  0.91201863  0.12335207
   0.83907748  0.81610451  0.23446290
   0.63222639  0.65229747  0.46173692
   0.86505760  0.61173671  0.88293714
   0.63201650  0.92627072  0.61311535
   0.84194996  0.85448731  0.75781308
   0.09201805  0.04316657  0.15400360
   0.33052896  0.18577304  0.28410888
   0.11286980  0.33832027 -0.00148416
   0.34274350  0.43777491  0.33258002
   0.52732383  0.35611233  0.21102118
   0.28414807  0.36975439  0.14686322
   0.20965716  0.10411398  0.42738946
  -0.03497795  0.16788818  0.40170754
   0.01183288  0.05530528  0.57390898
   0.46115803  0.21807190  0.79208227
   0.10312028  0.31206011  0.52495632
   0.37100296  0.46579712  0.83651568
   0.48830698  0.41985587  0.67883403
   0.24803833  0.33188359  0.69227734
   0.23702112  0.18254670 -0.12927212
   0.00000808  0.11176265  0.94752110
   0.11721601  0.58284263  0.08513483
   0.40561558  0.68904468  0.26606934
   0.12310088  0.82797958  0.03826897
   0.36021970  0.93040602  0.34792211
   0.42945541  0.90260449  0.17039295
   0.18420719  0.81725131  0.23116569
   0.32460198  0.65701656  0.44081052
   0.05893597  0.59693853  0.41548650
   0.23170548  0.53839434  0.55908646
   0.35656769  0.70648030  0.75710566
   0.12169193  0.80188696  0.51810294
   0.38511872  0.98057733  0.79690471
   0.46608028  0.90319532  0.61560524
   0.19064674  0.89012572  0.68610340
   0.29231881  0.66456081 -0.04816287
   0.02268067  0.64747530  0.89715788
   0.62106058  0.07126758  0.11238043
   0.86497135  0.17256641  0.23367786
   0.60072464  0.30820723  0.02427517
   0.86150746  0.43470601  0.36286319
   0.02173082  0.37420003  0.17906648
   0.76787167  0.40844816  0.14615266
   0.71366002  0.15158189  0.39383772
   0.47411937  0.13811376  0.43090453
   0.64861273  0.07746410  0.58165490
   0.82570101  0.21136649  0.79460395
   0.59781038  0.31330798  0.53588094
   0.87091515  0.46542797  0.83261499
   1.02114655  0.48250932  0.66357586
   0.76597679  0.41842173  0.66712996
   0.72268771  0.09677795  0.92929575
   0.47502892  0.08569414  0.96229581
   0.57988536  0.56424939  0.07642901
   0.90202804  0.67554348  0.27959716
   0.58556131  0.83397720  0.02384039
   0.85487377  0.94426345  0.31533048
   0.92849695  0.84169697  0.14117423
   0.67983695  0.83772648  0.20316826
   0.79556244  0.66727856  0.45273811
   0.56765238  0.55952268  0.37850983
   0.60554143  0.58934666  0.56368435
   0.80409169  0.71289886  0.80166747
   0.56947673  0.80900014  0.43761662
   0.91332888  0.95619020  0.82775628
   0.94167045  0.83805109  0.66979771
   0.69777076  0.91854321  0.71920102
   0.77292036  0.63756353  0.97626385
   0.53963102  0.64783239  0.89559624
   0.72367033  0.80831104  0.56915485
   0.48412461  0.84183298  0.47314822
   0.90004623  0.22308164  0.05990409
   0.94952581  0.39126312  0.33607194
   0.29367235  0.09518689  0.62926988
   0.25331387  0.73326176  0.71743969
   0.15961634  1.09432249  0.20053630
   0.22840747  1.08670235  0.02553693
   0.61936060  0.35600270  0.81641192
   0.92744378  0.46230253  0.64173767
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915144    0.455158   -0.239522
    -0.000000    9.923626   -0.066541
    -0.000000    0.000000   13.912322
   Si   O    H 
    32    64    10
Direct configuration=  2233
   0.14650065  0.17605977 -0.03096505
   0.34460560  0.08969411  0.37247545
   0.13538382  0.41506805  0.09953166
   0.36887897  0.33855241  0.24334718
   0.07756339  0.15701389  0.49135202
   0.38953003  0.11357975  0.86190974
   0.15858906  0.41330589  0.61250188
   0.38321578  0.36433170  0.75341805
   0.13446605  0.67705641 -0.01080761
   0.40713358  0.58369461  0.35863697
   0.08935604  0.87746456  0.14294140
   0.34524939  0.83229447  0.25184146
   0.16887869  0.65092421  0.48573153
   0.38049131  0.62570794  0.85733411
   0.06954914  0.89868528  0.60868375
   0.34053089  0.97453837  0.68262161
   0.61323914  0.14586371  1.00350759
   0.85427500  0.10410450  0.34155539
   0.60885656  0.40773364  0.11819026
   0.88445227  0.28998939  0.15367316
   0.61016324  0.17205083  0.48176592
   0.86758058  0.09450616  0.87535397
   0.61250377  0.44051267  0.61189696
   0.75839542  0.36214420  0.78281827
   0.61631246  0.66949428 -0.00056449
   0.90355530  0.59360176  0.37850630
   0.57956463  0.91307221  0.12240381
   0.84024793  0.81521179  0.23419782
   0.63259553  0.65261485  0.46118816
   0.86378889  0.61359326  0.88217685
   0.63052044  0.92715179  0.61308487
   0.84159593  0.85415205  0.75777512
   0.09195457  0.04394113  0.15360629
   0.33268740  0.18500127  0.28376118
   0.11097067  0.33894937 -0.00192078
   0.34296891  0.43833455  0.33158472
   0.52794631  0.35637602  0.21264258
   0.28400975  0.36846752  0.14641198
   0.20869629  0.10378299  0.42772688
  -0.03512665  0.16761455  0.40006336
   0.01107371  0.05477147  0.57506260
   0.46125629  0.21803091  0.79211942
   0.10241284  0.31163068  0.52454346
   0.36855908  0.46779089  0.83811703
   0.48824149  0.41988624  0.67849470
   0.24744640  0.33182170  0.69215789
   0.23793419  0.18385452 -0.13067837
  -0.00061969  0.11267019  0.94739345
   0.11638326  0.58426786  0.08607737
   0.40603825  0.68817307  0.26514762
   0.12578612  0.82901735  0.03855408
   0.35906476  0.93091007  0.34744271
   0.42943719  0.90381396  0.17002140
   0.18273583  0.81694136  0.23105258
   0.32401081  0.65782813  0.44044045
   0.05795413  0.59655457  0.41691981
   0.23114281  0.53634279  0.55930488
   0.35497920  0.70903910  0.75688742
   0.12033750  0.80228764  0.51829842
   0.38486834  0.97949783  0.79626625
   0.46596780  0.90343908  0.61652998
   0.18963758  0.88985040  0.68649420
   0.29114102  0.66508497 -0.04894990
   0.02162521  0.64692216  0.89689830
   0.62103704  0.07129605  0.11291045
   0.86447432  0.17217816  0.23380610
   0.60187882  0.30743451  0.02355463
   0.86374752  0.43473487  0.36224378
   0.02290787  0.37520008  0.17886437
   0.76711662  0.40809114  0.14621515
   0.71512141  0.15188200  0.39571529
   0.47541130  0.13870588  0.43168383
   0.65093255  0.07696154  0.57963787
   0.82353197  0.21136152  0.79555658
   0.59767866  0.31506456  0.53538727
   0.87142685  0.46612106  0.83224589
   1.02317100  0.48218111  0.66283229
   0.76455228  0.41927940  0.66694871
   0.72315381  0.09688566  0.92965774
   0.47491308  0.08580173  0.96290396
   0.57879146  0.56518171  0.07674589
   0.90186868  0.67386245  0.27942079
   0.58391988  0.83380566  0.02347207
   0.85426979  0.94434026  0.31452166
   0.92875706  0.84234062  0.14206640
   0.68058936  0.83828921  0.20433651
   0.79639537  0.66641367  0.45165944
   0.56596222  0.55879380  0.37842741
   0.60550749  0.58964348  0.56336484
   0.80406274  0.71538080  0.80110152
   0.57060475  0.80951058  0.43680507
   0.91383714  0.95578563  0.82832245
   0.94355066  0.83849185  0.67001819
   0.69739421  0.91779178  0.71962075
   0.77153015  0.63979041  0.97677900
   0.53973502  0.64730202  0.89512906
   0.71814292  0.81177617  0.57131672
   0.49011313  0.84375301  0.47294685
   0.89604340  0.21769502  0.05885363
   0.93281793  0.40512033  0.34396580
   0.29463552  0.09759601  0.63177130
   0.26366200  0.73468116  0.71993254
   0.15199665  1.08220441  0.19067196
   0.22767316  1.08490614  0.02638323
   0.61571831  0.36079124  0.81755894
   0.92251076  0.45683318  0.64015714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914304    0.453377   -0.236277
    -0.000000    9.923931   -0.064833
    -0.000000    0.000000   13.912640
   Si   O    H 
    32    64    10
Direct configuration=  2234
   0.14912250  0.17532320 -0.03141052
   0.34576336  0.08936586  0.37122447
   0.13629436  0.41574558  0.09934364
   0.36874596  0.33735753  0.24305524
   0.07794186  0.15833061  0.49119553
   0.39180658  0.11300396  0.86192824
   0.15767439  0.41416289  0.61239687
   0.38270006  0.36449658  0.75401205
   0.13445648  0.67670154 -0.01079133
   0.40752177  0.58380969  0.35903857
   0.08958931  0.87755072  0.14393861
   0.34528522  0.83376692  0.25124320
   0.16839855  0.65012873  0.48587883
   0.37936042  0.62700967  0.85688574
   0.06764063  0.89877593  0.60781987
   0.34137172  0.97537588  0.68351583
   0.61467072  0.14688409  1.00470749
   0.85589374  0.10343239  0.34156786
   0.60802244  0.40783586  0.11838482
   0.88512689  0.28768677  0.15466346
   0.61180876  0.17183660  0.48202844
   0.86746165  0.09390598  0.87524811
   0.61279359  0.44092246  0.61147885
   0.75750536  0.36179149  0.78385402
   0.61739611  0.66809013 -0.00159717
   0.90328348  0.59507506  0.37799664
   0.57832386  0.91405584  0.12204969
   0.84177349  0.81538350  0.23431591
   0.63281825  0.65307002  0.46091620
   0.86244594  0.61486427  0.88171976
   0.62901272  0.92733081  0.61360475
   0.84133169  0.85333703  0.75731109
   0.09025230  0.04378145  0.15292440
   0.33430950  0.18470796  0.28279892
   0.10950823  0.33991321 -0.00259221
   0.34383679  0.43880706  0.33159341
   0.52793396  0.35618098  0.21401527
   0.28349786  0.36721725  0.14569603
   0.20730547  0.10294422  0.42816847
  -0.03404411  0.16814981  0.39878095
   0.01073383  0.05365666  0.57634571
   0.46103096  0.21840272  0.79184740
   0.10146147  0.31123861  0.52484235
   0.36578514  0.46922475  0.83923704
   0.48771145  0.41942707  0.67857439
   0.24736433  0.33233336  0.69237150
   0.23856864  0.18516245 -0.13139299
  -0.00157556  0.11394341  0.94713289
   0.11657778  0.58552943  0.08701937
   0.40761508  0.68612398  0.26443291
   0.12900670  0.82989163  0.03793385
   0.35789563  0.93119337  0.34670980
   0.42936830  0.90525860  0.16956933
   0.18233275  0.81644157  0.23144402
   0.32353534  0.65850187  0.44006437
   0.05673296  0.59583025  0.41851170
   0.23029312  0.53322778  0.55944588
   0.35260957  0.71150687  0.75637224
   0.11898132  0.80315831  0.51935354
   0.38387151  0.97781776  0.79535616
   0.46499360  0.90367489  0.61755083
   0.19018872  0.88950801  0.68665596
   0.29059366  0.66552445 -0.04907518
   0.02160619  0.64600504  0.89727795
   0.62096421  0.07162549  0.11331806
   0.86401771  0.17221763  0.23392965
   0.60249691  0.30623142  0.02284013
   0.86308711  0.43721309  0.36256140
   0.02368274  0.37550887  0.17808728
   0.76612093  0.40788536  0.14640787
   0.71678525  0.15248350  0.39779548
   0.47636415  0.13947753  0.43232042
   0.65225390  0.07659071  0.57746260
   0.82240845  0.21088061  0.79676301
   0.59800719  0.31677288  0.53436336
   0.87186818  0.46646982  0.83150784
   1.02441470  0.48162238  0.66246395
   0.76293685  0.41987768  0.66660085
   0.72403571  0.09704820  0.92971163
   0.47516510  0.08547821  0.96311314
   0.57762956  0.56555665  0.07756844
   0.90079428  0.67262817  0.27902721
   0.58137750  0.83289672  0.02314823
   0.85353802  0.94442648  0.31419498
   0.93005350  0.84247427  0.14340775
   0.68112646  0.83880189  0.20518636
   0.79749803  0.66504093  0.45039817
   0.56399601  0.55825359  0.37839222
   0.60549193  0.58948152  0.56294602
   0.80369371  0.71754961  0.80104854
   0.57101545  0.80934614  0.43643593
   0.91415757  0.95444161  0.82933507
   0.94468542  0.83811561  0.67003064
   0.69752327  0.91737502  0.72010805
   0.76975098  0.64144165  0.97697727
   0.54077912  0.64652972  0.89503553
   0.71372624  0.81960624  0.57132306
   0.49939964  0.84352740  0.47082219
   0.88972061  0.21475867  0.06079676
   0.97011093  0.38954108  0.33797659
   0.29669228  0.10307563  0.63637216
   0.27894744  0.73495094  0.72655307
   0.16304392  1.08196545  0.19294425
   0.22779739  1.08189229  0.02928276
   0.61817455  0.36678424  0.81956871
   0.92963785  0.45232580  0.64186541
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913349    0.451295   -0.233058
    -0.000000    9.924036   -0.063497
    -0.000000    0.000000   13.912898
   Si   O    H 
    32    64    10
Direct configuration=  2235
   0.15122373  0.17457725 -0.03189577
   0.34671455  0.08901680  0.37056654
   0.13691485  0.41663648  0.09930070
   0.36888289  0.33599977  0.24264984
   0.07930106  0.15973422  0.49094845
   0.39407712  0.11184622  0.86208716
   0.15611546  0.41485049  0.61203246
   0.38263845  0.36450487  0.75420008
   0.13459889  0.67643639 -0.01076210
   0.40760584  0.58460746  0.35859327
   0.09013280  0.87810601  0.14447383
   0.34586392  0.83507135  0.25089817
   0.16841877  0.64953008  0.48571951
   0.37803333  0.62883936  0.85665854
   0.06550464  0.89889721  0.60708946
   0.34235890  0.97554820  0.68489505
   0.61564390  0.14756367  1.00629226
   0.85646339  0.10233368  0.34121833
   0.60733441  0.40865416  0.11851743
   0.88547968  0.28625528  0.15526383
   0.61378743  0.17059322  0.48246555
   0.86749374  0.09345610  0.87483738
   0.61292499  0.44134830  0.61099049
   0.75748075  0.36125722  0.78474464
   0.61814219  0.66698950 -0.00246914
   0.90318309  0.59708148  0.37772710
   0.57702265  0.91482656  0.12181985
   0.84280296  0.81601938  0.23451249
   0.63310530  0.65380865  0.46116594
   0.86132513  0.61583394  0.88146861
   0.62822154  0.92779232  0.61464631
   0.84124470  0.85242570  0.75675942
   0.08884421  0.04394380  0.15268085
   0.33607615  0.18455206  0.28154493
   0.10797616  0.34135601 -0.00343957
   0.34492010  0.43978959  0.33146609
   0.52770603  0.35675874  0.21539905
   0.28318843  0.36620483  0.14496052
   0.20619658  0.10267754  0.42969020
  -0.03182575  0.16932775  0.39807033
   0.01071322  0.05259944  0.57736274
   0.46058380  0.21968350  0.79146566
   0.10051575  0.31178258  0.52552542
   0.36299742  0.47023496  0.84036021
   0.48675838  0.41987284  0.67900978
   0.24781441  0.33296130  0.69288582
   0.23838164  0.18585015 -0.13136664
  -0.00321090  0.11494559  0.94686803
   0.11683916  0.58640894  0.08733308
   0.40893160  0.68401914  0.26427878
   0.13184460  0.83115756  0.03673387
   0.35684925  0.93174799  0.34581977
   0.42865242  0.90740095  0.16895034
   0.18154008  0.81655521  0.23217119
   0.32255782  0.66006151  0.43951050
   0.05551004  0.59455312  0.41979326
   0.22986055  0.53012169  0.55991867
   0.35239315  0.71288142  0.75673600
   0.11839554  0.80363480  0.52048333
   0.38338402  0.97705709  0.79435552
   0.46404574  0.90413804  0.61808338
   0.19146417  0.88984177  0.68699473
   0.28965570  0.66596343 -0.04940312
   0.02254184  0.64565366  0.89840731
   0.62071841  0.07164449  0.11400833
   0.86405246  0.17212545  0.23371710
   0.60262743  0.30521485  0.02251915
   0.86255797  0.43917694  0.36316721
   0.02402393  0.37533683  0.17741161
   0.76508253  0.40774989  0.14639367
   0.71806171  0.15252418  0.39957541
   0.47716189  0.14009404  0.43216885
   0.65369373  0.07668390  0.57553559
   0.82185848  0.20940479  0.79841232
   0.59820843  0.31904161  0.53331095
   0.87255412  0.46677896  0.83121350
   1.02466593  0.48165359  0.66180665
   0.76212245  0.41951468  0.66597756
   0.72441515  0.09648730  0.92896095
   0.47523982  0.08522102  0.96322908
   0.57652299  0.56599241  0.07859524
   0.90007265  0.67153723  0.27844485
   0.57899312  0.83228234  0.02273343
   0.85297439  0.94424397  0.31390507
   0.93171526  0.84247559  0.14484641
   0.68192293  0.83852422  0.20556397
   0.79898273  0.66326268  0.44950081
   0.56276426  0.55819641  0.37868260
   0.60618028  0.58892915  0.56346314
   0.80222546  0.71978037  0.80155185
   0.57246426  0.80896248  0.43615208
   0.91414300  0.95293431  0.83038387
   0.94551810  0.83703537  0.66974494
   0.69697861  0.91726529  0.72056702
   0.76915457  0.64266703  0.97745839
   0.54146079  0.64565748  0.89492760
   0.71205484  0.82894253  0.57026850
   0.49939452  0.84850236  0.47512636
   0.88501502  0.21228573  0.06332134
   0.98794661  0.37846182  0.33157903
   0.30107012  0.11221075  0.63946746
   0.26633566  0.74586307  0.72000684
   0.17032643  1.08018011  0.19279800
   0.22932561  1.08092098  0.03504587
   0.62538739  0.36939411  0.82185608
   0.94162256  0.44630654  0.64456884
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912370    0.449332   -0.230106
    -0.000000    9.924394   -0.062500
    -0.000000    0.000000   13.913515
   Si   O    H 
    32    64    10
Direct configuration=  2236
   0.15296840  0.17366389 -0.03236592
   0.34747308  0.08871437  0.37069002
   0.13749332  0.41728166  0.09932050
   0.37005087  0.33392990  0.24236730
   0.08020610  0.16138506  0.49069690
   0.39576205  0.11035407  0.86239636
   0.15413154  0.41477865  0.61176478
   0.38267306  0.36410224  0.75429643
   0.13484787  0.67655637 -0.01100144
   0.40764304  0.58530151  0.35806323
   0.09061856  0.87845596  0.14478070
   0.34559739  0.83716542  0.25085098
   0.16858704  0.64914413  0.48540493
   0.37766283  0.63086436  0.85682832
   0.06326495  0.89903534  0.60663883
   0.34261896  0.97591022  0.68634943
   0.61668253  0.14826218  1.00760098
   0.85650760  0.10107465  0.34025133
   0.60695237  0.40941604  0.11878759
   0.88486231  0.28538274  0.15552239
   0.61638610  0.17033723  0.48324098
   0.86745226  0.09331503  0.87496543
   0.61245677  0.44128894  0.61075405
   0.75810063  0.36136491  0.78502166
   0.61832764  0.66678627 -0.00336852
   0.90313047  0.59802700  0.37809100
   0.57580168  0.91553180  0.12158820
   0.84386362  0.81748058  0.23534531
   0.63299710  0.65477715  0.46124161
   0.86027597  0.61668496  0.88120212
   0.62777307  0.92820875  0.61547975
   0.84101092  0.85182742  0.75633784
   0.08780483  0.04442895  0.15290971
   0.33749361  0.18472707  0.28024367
   0.10721292  0.34186122 -0.00424108
   0.34615759  0.44062933  0.33139068
   0.52700628  0.35642234  0.21638798
   0.28296118  0.36544809  0.14413448
   0.20564540  0.10219305  0.43188582
  -0.02890869  0.17071129  0.39827827
   0.01048070  0.05214047  0.57772286
   0.45985968  0.22042708  0.79142288
   0.09925205  0.31207727  0.52633528
   0.36082398  0.47039255  0.84128094
   0.48617486  0.42090145  0.67986100
   0.24818485  0.33422114  0.69349642
   0.23898360  0.18621852 -0.13075927
  -0.00451454  0.11583733  0.94632124
   0.11693845  0.58643305  0.08785574
   0.41014777  0.68151843  0.26397755
   0.13443810  0.83216489  0.03567984
   0.35549197  0.93212212  0.34452016
   0.42760446  0.90949694  0.16840619
   0.18118271  0.81610029  0.23304562
   0.32097860  0.66097877  0.43982520
   0.05413054  0.59303936  0.42065578
   0.22922857  0.52828634  0.56005703
   0.35187519  0.71458375  0.75739794
   0.11839557  0.80355690  0.52121230
   0.38312279  0.97588362  0.79361383
   0.46224589  0.90397737  0.61807184
   0.19296101  0.89048282  0.68744149
   0.28799844  0.66615499 -0.04976269
   0.02266385  0.64601269  0.89982520
   0.62109177  0.07104192  0.11427160
   0.86360199  0.17233797  0.23344049
   0.60229703  0.30459998  0.02203873
   0.86271232  0.44023461  0.36352223
   0.02515119  0.37503896  0.17649172
   0.76403656  0.40804114  0.14649560
   0.71967681  0.15210789  0.40054324
   0.47774081  0.14051152  0.43134454
   0.65580968  0.07619677  0.57382259
   0.82122155  0.20807982  0.79997469
   0.59851961  0.32125270  0.53232740
   0.87293297  0.46713658  0.83059092
   1.02519769  0.48253610  0.66126774
   0.76103142  0.41964817  0.66577703
   0.72497143  0.09533257  0.92883655
   0.47524485  0.08571304  0.96292258
   0.57578758  0.56523590  0.08032687
   0.89936575  0.67038178  0.27772122
   0.57683072  0.83148633  0.02240932
   0.85319093  0.94318316  0.31356335
   0.93373337  0.84236199  0.14533614
   0.68267793  0.83802681  0.20587358
   0.79944696  0.66252077  0.44922841
   0.56300240  0.55866760  0.37934930
   0.60689168  0.58827773  0.56419343
   0.80071610  0.72131590  0.80280809
   0.57398800  0.80818630  0.43587701
   0.91442471  0.95086398  0.83140421
   0.94700537  0.83612684  0.66929969
   0.69650846  0.91744129  0.72087880
   0.76894847  0.64415543  0.97724920
   0.54203299  0.64485863  0.89480189
   0.71560488  0.83466035  0.57124886
   0.49772301  0.85141095  0.47513996
   0.88409688  0.21002186  0.06542415
   0.99032060  0.37545330  0.32612906
   0.30526823  0.11179414  0.64276994
   0.25852473  0.75301370  0.71647515
   0.16687306  1.07566557  0.18787053
   0.22676653  1.08265367  0.03833230
   0.63432226  0.37133686  0.82514234
   0.94562742  0.43967283  0.64513734
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911367    0.447970   -0.227451
    -0.000000    9.924628   -0.061652
    -0.000000    0.000000   13.913761
   Si   O    H 
    32    64    10
Direct configuration=  2237
   0.15438746  0.17322159 -0.03244231
   0.34812425  0.08792983  0.37061120
   0.13773923  0.41779975  0.09938968
   0.37109477  0.33214571  0.24275028
   0.08076147  0.16236272  0.49008676
   0.39686779  0.10892262  0.86263647
   0.15191690  0.41371291  0.61159493
   0.38317433  0.36383999  0.75442552
   0.13509240  0.67673270 -0.01139660
   0.40769639  0.58605895  0.35728606
   0.09069609  0.87907389  0.14453354
   0.34584803  0.83858312  0.25099370
   0.16938343  0.64885665  0.48521978
   0.37740722  0.63247040  0.85691634
   0.06145255  0.90030889  0.60666219
   0.34199913  0.97560443  0.68732681
   0.61798764  0.14833919  1.00852193
   0.85577883  0.09937786  0.33918307
   0.60698216  0.40971224  0.11904854
   0.88473310  0.28401864  0.15559459
   0.61820588  0.17050393  0.48414293
   0.86736182  0.09293921  0.87495279
   0.61194920  0.44156514  0.61000428
   0.75929996  0.36153571  0.78484373
   0.61836841  0.66647529 -0.00392080
   0.90370139  0.59770908  0.37881030
   0.57495605  0.91590406  0.12138621
   0.84452997  0.81861848  0.23635618
   0.63321196  0.65585688  0.46143834
   0.85983590  0.61691024  0.88100698
   0.62672372  0.92818338  0.61619944
   0.84101368  0.85139867  0.75549952
   0.08768661  0.04419196  0.15344432
   0.33838587  0.18468122  0.27818171
   0.10736524  0.34193526 -0.00524307
   0.34682187  0.44184790  0.33116658
   0.52649369  0.35608956  0.21725824
   0.28244162  0.36463202  0.14382477
   0.20684931  0.10167958  0.43342780
  -0.02623566  0.17254617  0.39899154
   0.01128840  0.05175305  0.57792095
   0.45853252  0.22082403  0.79158507
   0.09839454  0.31211841  0.52771014
   0.35911108  0.47101402  0.84189806
   0.48585299  0.42137211  0.68025566
   0.24812004  0.33565414  0.69422500
   0.23977520  0.18552070 -0.13028661
  -0.00514082  0.11639526  0.94604749
   0.11697734  0.58690488  0.08796098
   0.41028249  0.67844413  0.26400253
   0.13644033  0.83296175  0.03488261
   0.35372477  0.93331014  0.34320369
   0.42693311  0.91218904  0.16788522
   0.18068851  0.81603652  0.23468451
   0.31985388  0.66233513  0.44089947
   0.05260917  0.59091818  0.42144883
   0.22826964  0.52681476  0.55997807
   0.35117287  0.71598542  0.75820262
   0.11863959  0.80303058  0.52152630
   0.38308642  0.97524813  0.79372687
   0.45964794  0.90479587  0.61808157
   0.19487975  0.89084948  0.68752967
   0.28624183  0.66733192 -0.04983089
   0.02228992  0.64570206  0.90181657
   0.62102345  0.06990034  0.11442402
   0.86278140  0.17353745  0.23269177
   0.60194610  0.30496857  0.02225559
   0.86362481  0.44139445  0.36358846
   0.02505528  0.37479730  0.17556049
   0.76348923  0.40825633  0.14632448
   0.72155253  0.15180704  0.40129423
   0.47789367  0.14007848  0.43006264
   0.65802678  0.07618817  0.57237203
   0.82035782  0.20717358  0.80082735
   0.59941041  0.32358858  0.53168019
   0.87263491  0.46664265  0.83048001
   1.02593494  0.48458185  0.66116614
   0.75947419  0.42010517  0.66566910
   0.72542536  0.09400746  0.92876562
   0.47474853  0.08639284  0.96200783
   0.57519065  0.56512809  0.08184327
   0.89858408  0.66949331  0.27643215
   0.57493042  0.83029297  0.02194702
   0.85400862  0.94222298  0.31329859
   0.93568245  0.84212052  0.14562878
   0.68334314  0.83780850  0.20660748
   0.79881591  0.66181449  0.44863175
   0.56384799  0.55877745  0.37984855
   0.60762659  0.58733332  0.56528402
   0.79875519  0.72222260  0.80457268
   0.57520047  0.80807862  0.43616953
   0.91359417  0.94886426  0.83220236
   0.94834956  0.83505131  0.66869086
   0.69576810  0.91735134  0.72117950
   0.77042855  0.64467842  0.97702429
   0.54212854  0.64432989  0.89481497
   0.71767136  0.83681561  0.56909696
   0.49921716  0.84779105  0.47286339
   0.88015576  0.20791201  0.06887302
   0.97864306  0.38476765  0.32554903
   0.31059638  0.10774690  0.64743203
   0.26053230  0.75840615  0.71934257
   0.16126326  1.07052157  0.18084433
   0.22287330  1.08712280  0.04310328
   0.63087046  0.37677543  0.83145009
   0.93766350  0.43099760  0.64566332
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910803    0.446658   -0.225120
    -0.000000    9.924994   -0.061050
    -0.000000    0.000000   13.914152
   Si   O    H 
    32    64    10
Direct configuration=  2238
   0.15574204  0.17335028 -0.03299570
   0.34898396  0.08686677  0.37086610
   0.13773291  0.41780262  0.09959947
   0.37195867  0.33088884  0.24356275
   0.08086786  0.16326853  0.48896329
   0.39806430  0.10769765  0.86301122
   0.14983083  0.41318993  0.61141250
   0.38388134  0.36355463  0.75424496
   0.13516565  0.67698548 -0.01185015
   0.40780037  0.58700584  0.35684170
   0.09103820  0.87986704  0.14396693
   0.34561665  0.83975609  0.25122245
   0.17029329  0.64847366  0.48538143
   0.37764771  0.63354820  0.85693675
   0.05975998  0.90228440  0.60653744
   0.34041069  0.97485061  0.68756794
   0.61964124  0.14795668  1.00946694
   0.85488876  0.09828644  0.33844777
   0.60685065  0.40948542  0.11965071
   0.88453718  0.28321949  0.15586012
   0.61996245  0.17078243  0.48467646
   0.86726363  0.09288915  0.87490542
   0.61110864  0.44166465  0.60922401
   0.76068287  0.36205310  0.78474102
   0.61798576  0.66621579 -0.00434694
   0.90477384  0.59699614  0.37911837
   0.57517002  0.91599269  0.12154666
   0.84483539  0.81960963  0.23722421
   0.63365674  0.65681616  0.46103650
   0.85969905  0.61707763  0.88098799
   0.62568756  0.92826583  0.61716823
   0.84079705  0.85118823  0.75472891
   0.08597924  0.04389709  0.15361152
   0.33883046  0.18463417  0.27567182
   0.10774571  0.34111896 -0.00633764
   0.34706021  0.44248868  0.33111767
   0.52694046  0.35618868  0.21768763
   0.28237416  0.36360361  0.14365359
   0.20843681  0.10067009  0.43478876
  -0.02329315  0.17398079  0.39989518
   0.01224275  0.05227370  0.57783866
   0.45711785  0.22106421  0.79211155
   0.09722982  0.31214325  0.52873698
   0.35797913  0.47113859  0.84241112
   0.48508788  0.42198883  0.68073601
   0.24753148  0.33688321  0.69462536
   0.24015852  0.18557951 -0.12957539
  -0.00549786  0.11673618  0.94598276
   0.11814968  0.58711168  0.08765471
   0.40992941  0.67612900  0.26381778
   0.13815513  0.83355586  0.03412051
   0.35200444  0.93409092  0.34223333
   0.42581064  0.91394766  0.16776015
   0.18056238  0.81724609  0.23602614
   0.31876152  0.66425553  0.44125669
   0.05233673  0.58907250  0.42195344
   0.22753286  0.52628635  0.55965934
   0.34992276  0.71669975  0.75891254
   0.11892048  0.80258342  0.52150214
   0.38336692  0.97539894  0.79506735
   0.45786044  0.90600529  0.61837196
   0.19666936  0.89161925  0.68745338
   0.28420277  0.66816158 -0.05000186
   0.02152073  0.64508963  0.90400960
   0.62051528  0.06917855  0.11381607
   0.86222562  0.17429207  0.23266154
   0.60154095  0.30564037  0.02267417
   0.86496320  0.44075493  0.36422837
   0.02542002  0.37445612  0.17528522
   0.76409363  0.40829711  0.14579951
   0.72459440  0.15227439  0.40173298
   0.47827673  0.13890399  0.42890924
   0.66006952  0.07561799  0.57130622
   0.81935662  0.20656858  0.80154806
   0.60070114  0.32458813  0.53133145
   0.87247974  0.46678500  0.83027567
   1.02553419  0.48657344  0.66181464
   0.75810130  0.42033107  0.66602496
   0.72583555  0.09330064  0.92919008
   0.47361910  0.08735423  0.96161583
   0.57510728  0.56464100  0.08278207
   0.89880290  0.66893088  0.27469646
   0.57353258  0.82909645  0.02112790
   0.85432472  0.94221651  0.31296533
   0.93745363  0.84126513  0.14546347
   0.68380557  0.83799571  0.20648431
   0.79697580  0.66141019  0.44805831
   0.56461527  0.55872227  0.38034832
   0.60845036  0.58723573  0.56549675
   0.79629691  0.72268767  0.80615253
   0.57559745  0.80772227  0.43581132
   0.91283334  0.94721262  0.83307992
   0.94915737  0.83387704  0.66809931
   0.69517090  0.91747146  0.72115081
   0.77268939  0.64542257  0.97654759
   0.54181123  0.64351843  0.89521235
   0.71975153  0.83814805  0.56492193
   0.50185353  0.84417144  0.47120591
   0.87818241  0.20226600  0.06558199
   0.95703252  0.40049777  0.32734767
   0.31425807  0.10747174  0.64848560
   0.27109246  0.75888522  0.72865079
   0.17776679  1.07932908  0.18377906
   0.22186245  1.09852386  0.04696374
   0.62662921  0.38152333  0.83821441
   0.93492795  0.43213886  0.64730787
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910267    0.445410   -0.222136
    -0.000000    9.925664   -0.060231
    -0.000000    0.000000   13.914912
   Si   O    H 
    32    64    10
Direct configuration=  2239
   0.15626202  0.17406097 -0.03371270
   0.34888111  0.08611760  0.37119678
   0.13757411  0.41807321  0.09977114
   0.37283935  0.33022438  0.24422266
   0.08091383  0.16372464  0.48809876
   0.39895627  0.10669695  0.86270238
   0.14772525  0.41250701  0.61152558
   0.38492897  0.36313523  0.75436867
   0.13471281  0.67696883 -0.01231451
   0.40749583  0.58797721  0.35664030
   0.09130057  0.87993489  0.14342164
   0.34521115  0.83999089  0.25154072
   0.17203252  0.64836834  0.48571449
   0.37844901  0.63436778  0.85690895
   0.05880974  0.90408635  0.60625881
   0.33907009  0.97437862  0.68727877
   0.62090214  0.14683172  1.01006597
   0.85381399  0.09761434  0.33758195
   0.60665289  0.40931497  0.12007577
   0.88472822  0.28242989  0.15628085
   0.62070294  0.17082772  0.48522157
   0.86706655  0.09304657  0.87483625
   0.60959751  0.44129214  0.60845235
   0.76186488  0.36279704  0.78458486
   0.61738286  0.66669970 -0.00434610
   0.90555560  0.59600568  0.37909342
   0.57532165  0.91593718  0.12142991
   0.84500942  0.82014107  0.23757284
   0.63373071  0.65714465  0.46117075
   0.86054804  0.61667363  0.88102538
   0.62335885  0.92828427  0.61734222
   0.84107611  0.85123094  0.75412753
   0.08377400  0.04455664  0.15431941
   0.33977120  0.18403350  0.27426226
   0.10856020  0.34008857 -0.00719929
   0.34670781  0.44303683  0.33046928
   0.52701392  0.35650015  0.21727998
   0.28278682  0.36273138  0.14384539
   0.21012628  0.09986153  0.43563196
  -0.02203434  0.17614165  0.40030131
   0.01407161  0.05328603  0.57717230
   0.45582672  0.22095339  0.79287642
   0.09596679  0.31192154  0.53005431
   0.35644053  0.47151263  0.84284896
   0.48511498  0.42313828  0.68105020
   0.24695789  0.33787109  0.69545586
   0.24022947  0.18549698 -0.12873151
  -0.00482882  0.11724201  0.94536719
   0.11910773  0.58557692  0.08677950
   0.40826998  0.67538276  0.26274253
   0.14008798  0.83341380  0.03338591
   0.35093317  0.93464189  0.34152246
   0.42471164  0.91532924  0.16795269
   0.18027040  0.81901525  0.23672206
   0.31814662  0.66662196  0.44095294
   0.05293255  0.58792591  0.42208624
   0.22734250  0.52587103  0.55946278
   0.34942586  0.71591773  0.76001895
   0.11840067  0.80154832  0.52148930
   0.38428346  0.97613620  0.79721024
   0.45663187  0.90817580  0.61817745
   0.19743328  0.89185180  0.68665891
   0.28337176  0.66851271 -0.04998693
   0.02127746  0.64490030  0.90568299
   0.62005238  0.06911630  0.11327650
   0.86183270  0.17506766  0.23360872
   0.60031292  0.30676341  0.02336439
   0.86597722  0.44052966  0.36399869
   0.02612003  0.37439899  0.17494113
   0.76515614  0.40753259  0.14573821
   0.72759688  0.15311584  0.40194603
   0.47829279  0.13807220  0.42826130
   0.66062230  0.07472194  0.57059911
   0.81908737  0.20680332  0.80203354
   0.60159330  0.32572925  0.53072480
   0.87185408  0.46703774  0.82934973
   1.02451958  0.48760740  0.66287321
   0.75741759  0.42048779  0.66647488
   0.72579682  0.09338993  0.92993444
   0.47346020  0.08790929  0.96193425
   0.57431047  0.56366061  0.08357906
   0.89913402  0.66889262  0.27308570
   0.57250028  0.82829126  0.02071743
   0.85446983  0.94220367  0.31317768
   0.93912295  0.84054256  0.14493431
   0.68453012  0.83765290  0.20618507
   0.79542546  0.66064160  0.44793149
   0.56604226  0.55866942  0.38091534
   0.60841238  0.58797548  0.56562040
   0.79417131  0.72305288  0.80717392
   0.57612196  0.80761890  0.43474523
   0.91245417  0.94488223  0.83450642
   0.94955296  0.83245542  0.66791696
   0.69385537  0.91685352  0.72114957
   0.77469689  0.64542272  0.97651930
   0.54140096  0.64254193  0.89515565
   0.71858466  0.83881464  0.56201089
   0.49725573  0.83962069  0.47221985
   0.87712381  0.20033661  0.06412036
   0.92794000  0.41949262  0.33169045
   0.31572478  0.10929915  0.64823645
   0.27540949  0.76146288  0.73544890
   0.17798970  1.08396400  0.18408838
   0.22470309  1.10918038  0.04848489
   0.62485298  0.38553668  0.84148711
   0.93974486  0.43757582  0.64856001
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909463    0.444395   -0.218955
    -0.000000    9.926111   -0.060121
    -0.000000    0.000000   13.915499
   Si   O    H 
    32    64    10
Direct configuration=  2240
   0.15625963  0.17542694 -0.03434572
   0.34938090  0.08552394  0.37196137
   0.13681284  0.41814158  0.10026704
   0.37333720  0.33057364  0.24476215
   0.08104141  0.16367557  0.48768994
   0.39959391  0.10566967  0.86241239
   0.14589280  0.41168687  0.61172840
   0.38574134  0.36248086  0.75432482
   0.13457173  0.67682800 -0.01251265
   0.40729848  0.58857162  0.35625952
   0.09194340  0.88047450  0.14286440
   0.34582173  0.83942698  0.25165397
   0.17323061  0.64838130  0.48691105
   0.37951866  0.63518439  0.85740437
   0.05833758  0.90508512  0.60660059
   0.33750370  0.97389811  0.68686996
   0.62182489  0.14619110  1.01081576
   0.85318749  0.09844365  0.33683768
   0.60613070  0.40851567  0.12082130
   0.88493063  0.28214273  0.15674501
   0.62117259  0.17153812  0.48562748
   0.86734725  0.09296237  0.87485624
   0.60856905  0.44136205  0.60852830
   0.76265295  0.36344890  0.78460702
   0.61678403  0.66712073 -0.00459404
   0.90581662  0.59490322  0.37940598
   0.57572242  0.91592135  0.12092194
   0.84521312  0.82077287  0.23798202
   0.63388201  0.65755637  0.46171206
   0.86178665  0.61625584  0.88077826
   0.62103546  0.92873036  0.61721277
   0.84140043  0.85109563  0.75386441
   0.08309346  0.04455488  0.15543945
   0.34067986  0.18178052  0.27294373
   0.11041058  0.33940622 -0.00798924
   0.34618911  0.44311641  0.32935028
   0.52685246  0.35784081  0.21690232
   0.28325628  0.36083478  0.14397416
   0.21233986  0.09861806  0.43632550
  -0.02152977  0.17751110  0.40010363
   0.01644627  0.05475239  0.57634427
   0.45499730  0.22088741  0.79330965
   0.09522347  0.31199997  0.53077829
   0.35496826  0.47109846  0.84350020
   0.48474842  0.42472812  0.68130818
   0.24526116  0.33821559  0.69597033
   0.24075313  0.18481023 -0.12871693
  -0.00442138  0.11737619  0.94476315
   0.12000821  0.58366184  0.08543140
   0.40645413  0.67531916  0.26115139
   0.13950861  0.83315949  0.03282382
   0.35025773  0.93386845  0.34125298
   0.42407231  0.91647171  0.16861363
   0.18029732  0.82080516  0.23597461
   0.31819944  0.66875717  0.43962317
   0.05465355  0.58672787  0.42223261
   0.22676397  0.52612030  0.55935254
   0.34995530  0.71493841  0.76182496
   0.11794210  0.80126635  0.52164262
   0.38577538  0.97755680  0.79948508
   0.45621932  0.90975805  0.61844603
   0.19783519  0.89299273  0.68556551
   0.28251298  0.66804124 -0.05051637
   0.02035862  0.64404499  0.90664307
   0.62001075  0.06952383  0.11236943
   0.86142944  0.17512434  0.23457696
   0.59946082  0.30731063  0.02385018
   0.86466385  0.44112265  0.36518269
   0.02710402  0.37433880  0.17462253
   0.76671797  0.40603526  0.14569180
   0.73019718  0.15410509  0.40197748
   0.47785592  0.13751873  0.42755444
   0.66058704  0.07356518  0.57004125
   0.81954013  0.20753799  0.80191854
   0.60286964  0.32642217  0.52979675
   0.87144397  0.46639435  0.82859985
   1.02239517  0.48842326  0.66355251
   0.75596316  0.42052984  0.66685532
   0.72594458  0.09375279  0.93083520
   0.47391162  0.08844990  0.96246752
   0.57380844  0.56259393  0.08350919
   0.89911048  0.66919299  0.27200186
   0.57193602  0.82719699  0.02017037
   0.85478368  0.94133680  0.31391074
   0.94152541  0.84027173  0.14469007
   0.68450853  0.83703032  0.20622642
   0.79413425  0.66134948  0.44862848
   0.56835151  0.55799336  0.38120830
   0.60801812  0.58898109  0.56531952
   0.79254318  0.72349917  0.80761601
   0.57685541  0.80694006  0.43375321
   0.91240367  0.94293724  0.83589565
   0.94917406  0.83104893  0.66770023
   0.69256107  0.91538038  0.72095104
   0.77849486  0.64515398  0.97693835
   0.54074800  0.64220144  0.89518395
   0.71489987  0.83871580  0.55840274
   0.49196192  0.83116317  0.47216887
   0.87827547  0.20163454  0.06422448
   0.94068289  0.41567323  0.31451381
   0.31252386  0.11654985  0.64808797
   0.26322331  0.77085848  0.73908038
   0.16664987  1.08456558  0.17976383
   0.23023596  1.11874120  0.04651576
   0.63386975  0.38443107  0.83902171
   0.94543956  0.44500323  0.65268983
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908223    0.443017   -0.216207
    -0.000000    9.926389   -0.060272
    -0.000000    0.000000   13.916229
   Si   O    H 
    32    64    10
Direct configuration=  2241
   0.15552575  0.17722519 -0.03476185
   0.34954364  0.08571878  0.37267676
   0.13700416  0.41789161  0.10034693
   0.37415368  0.33134441  0.24520365
   0.08130734  0.16351744  0.48803937
   0.39953674  0.10542611  0.86220607
   0.14485181  0.41067130  0.61175388
   0.38609572  0.36181053  0.75426874
   0.13453369  0.67675937 -0.01229279
   0.40674595  0.58902291  0.35604872
   0.09206155  0.88125745  0.14243575
   0.34573442  0.83796708  0.25178018
   0.17460317  0.64858425  0.48811892
   0.38039872  0.63519664  0.85845180
   0.05789929  0.90555685  0.60692177
   0.33634675  0.97327300  0.68651853
   0.62185762  0.14475285  1.01138037
   0.85276264  0.10024325  0.33571460
   0.60577507  0.40706455  0.12085293
   0.88497691  0.28157336  0.15672958
   0.62139111  0.17215991  0.48577428
   0.86756117  0.09307776  0.87471066
   0.60751399  0.44190429  0.60892513
   0.76338450  0.36491871  0.78419894
   0.61546407  0.66702974 -0.00477568
   0.90638997  0.59425459  0.37946995
   0.57625945  0.91528859  0.12046226
   0.84541393  0.82129256  0.23788522
   0.63386950  0.65782043  0.46178967
   0.86259452  0.61639888  0.88075614
   0.61843025  0.92971204  0.61693012
   0.84216947  0.85099711  0.75356919
   0.08224308  0.04475601  0.15672489
   0.34151487  0.17968998  0.27207188
   0.11198224  0.33877032 -0.00851380
   0.34647475  0.44310799  0.32890595
   0.52722956  0.35942451  0.21644341
   0.28366491  0.35974158  0.14354562
   0.21512188  0.09721236  0.43682472
  -0.02125387  0.17807186  0.39979288
   0.01830822  0.05607637  0.57568271
   0.45539944  0.22078175  0.79389816
   0.09363561  0.31211534  0.53132840
   0.35367702  0.47085641  0.84377976
   0.48464546  0.42617693  0.68148915
   0.24331784  0.33842771  0.69657775
   0.24114817  0.18431428 -0.12837486
  -0.00356507  0.11754516  0.94370918
   0.12143432  0.58173989  0.08336484
   0.40448290  0.67650442  0.26001884
   0.13942436  0.83336238  0.03235857
   0.35027564  0.93223114  0.34167359
   0.42287110  0.91803078  0.16841596
   0.18053402  0.82266579  0.23530441
   0.31842701  0.67017434  0.43794384
   0.05713449  0.58606368  0.42199309
   0.22662110  0.52614914  0.55891661
   0.34968497  0.71472564  0.76327515
   0.11798568  0.80169712  0.52160413
   0.38680965  0.97825349  0.80204455
   0.45584696  0.91112804  0.61853179
   0.19683434  0.89408745  0.68443754
   0.28270410  0.66774138 -0.05113367
   0.01895025  0.64340585  0.90718376
   0.61963667  0.07033770  0.11216249
   0.86034001  0.17476850  0.23559599
   0.59861599  0.30765520  0.02392568
   0.86295480  0.44101293  0.36581479
   0.02786094  0.37326563  0.17398875
   0.76773986  0.40426379  0.14556435
   0.73272168  0.15518908  0.40195061
   0.47779615  0.13644420  0.42711225
   0.66093310  0.07224702  0.56963642
   0.82003649  0.20828326  0.80155412
   0.60379592  0.32659645  0.52803706
   0.87027496  0.46534777  0.82769390
   1.02100379  0.48938932  0.66428829
   0.75429664  0.42051395  0.66787178
   0.72603586  0.09371745  0.93157015
   0.47488068  0.08910590  0.96260079
   0.57334464  0.56108787  0.08233073
   0.89905395  0.66991565  0.27175065
   0.57145325  0.82649776  0.01952351
   0.85599013  0.94050926  0.31445423
   0.94430266  0.83965796  0.14429100
   0.68375751  0.83731910  0.20575870
   0.79338435  0.66124377  0.44964352
   0.56970524  0.55737389  0.38100200
   0.60800674  0.59020874  0.56500108
   0.79145128  0.72339079  0.80772720
   0.57683684  0.80704458  0.43348904
   0.91194538  0.94078331  0.83731472
   0.94854146  0.82978118  0.66750842
   0.69129904  0.91334953  0.72014580
   0.78269518  0.64456234  0.97766535
   0.53986250  0.64203260  0.89449562
   0.70709497  0.83974213  0.55604940
   0.49179415  0.82496852  0.46776656
   0.88009495  0.20655348  0.06605613
   0.94213341  0.41069742  0.30315083
   0.30896171  0.12197116  0.64839006
   0.25478036  0.77683061  0.74394767
   0.15497440  1.08383898  0.17480683
   0.23738397  1.12446967  0.04280992
   0.64527057  0.38632673  0.83401325
   0.93388255  0.44580830  0.65551878
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907167    0.441803   -0.213150
    -0.000000    9.926766   -0.060270
    -0.000000    0.000000   13.916650
   Si   O    H 
    32    64    10
Direct configuration=  2242
   0.15472487  0.17921735 -0.03503466
   0.34915741  0.08657754  0.37282901
   0.13665096  0.41796178  0.09988396
   0.37454199  0.33188752  0.24531414
   0.08119767  0.16320625  0.48838399
   0.39895256  0.10575215  0.86269572
   0.14394297  0.41023529  0.61153192
   0.38636554  0.36156105  0.75426981
   0.13504166  0.67626282 -0.01187244
   0.40668120  0.58909186  0.35543267
   0.09303698  0.88169320  0.14208283
   0.34522465  0.83637668  0.25151363
   0.17528637  0.64926470  0.48894496
   0.38074182  0.63505502  0.85938416
   0.05770901  0.90605762  0.60733605
   0.33539470  0.97349936  0.68677977
   0.62155320  0.14321366  1.01172336
   0.85300611  0.10191940  0.33513787
   0.60548665  0.40591247  0.12102031
   0.88466295  0.28163270  0.15614256
   0.62186086  0.17270451  0.48520384
   0.86759827  0.09341392  0.87463216
   0.60668890  0.44270257  0.60944213
   0.76374284  0.36648663  0.78365111
   0.61471103  0.66709707 -0.00456374
   0.90679421  0.59313342  0.37963853
   0.57678042  0.91446402  0.12051715
   0.84548345  0.82126865  0.23787151
   0.63367947  0.65768384  0.46138065
   0.86398886  0.61599108  0.88068496
   0.61643151  0.93023383  0.61653323
   0.84267912  0.85137404  0.75273389
   0.08006975  0.04417735  0.15798352
   0.34159535  0.17828781  0.27093469
   0.11358080  0.33846991 -0.00875838
   0.34624831  0.44394217  0.32872799
   0.52761843  0.36058240  0.21643033
   0.28369939  0.35923572  0.14377409
   0.21865162  0.09603990  0.43725456
  -0.02233281  0.17819729  0.39932467
   0.02084200  0.05831807  0.57511291
   0.45591310  0.22027253  0.79456226
   0.09151320  0.31175752  0.53235322
   0.35289964  0.47009707  0.84364781
   0.48516372  0.42810266  0.68166368
   0.24141869  0.33828142  0.69715357
   0.24179834  0.18401182 -0.12743756
  -0.00165972  0.11698272  0.94274484
   0.12289634  0.57984067  0.08219003
   0.40347248  0.67781607  0.25859461
   0.13895779  0.83436482  0.03231596
   0.35017393  0.93122073  0.34217484
   0.42203598  0.91959084  0.16827533
   0.18118186  0.82410914  0.23426342
   0.31887857  0.67080341  0.43657216
   0.05934716  0.58518028  0.42152848
   0.22629515  0.52581682  0.55889652
   0.34982153  0.71504587  0.76468511
   0.11746496  0.80272386  0.52158417
   0.38834451  0.97699698  0.80367089
   0.45521018  0.91217984  0.61825615
   0.19609199  0.89569530  0.68365681
   0.28366636  0.66768762 -0.05204599
   0.01782227  0.64253902  0.90763539
   0.61923349  0.07005717  0.11185934
   0.85892984  0.17495025  0.23645607
   0.59756479  0.30759579  0.02435699
   0.86079826  0.44090649  0.36587654
   0.02810234  0.37252052  0.17394752
   0.76906850  0.40287951  0.14588195
   0.73372809  0.15557746  0.40198961
   0.47778060  0.13610810  0.42651085
   0.66167577  0.07039723  0.56973320
   0.82052650  0.20860943  0.80089681
   0.60533312  0.32666227  0.52635781
   0.86920647  0.46434975  0.82748596
   1.01987671  0.49046086  0.66462054
   0.75223906  0.41888569  0.66943146
   0.72623145  0.09275460  0.93268472
   0.47555196  0.08950150  0.96300175
   0.57316251  0.55983246  0.08084955
   0.89880537  0.67070710  0.27213587
   0.57075895  0.82549635  0.01924167
   0.85703395  0.93976319  0.31525243
   0.94512743  0.83936431  0.14384560
   0.68266005  0.83773664  0.20494896
   0.79341980  0.66199317  0.45049741
   0.57082721  0.55707261  0.38037347
   0.60805632  0.59184545  0.56551150
   0.79037457  0.72271545  0.80778900
   0.57642262  0.80693140  0.43332993
   0.91116166  0.93931624  0.83840525
   0.94713136  0.82906060  0.66783382
   0.69047405  0.91103952  0.71982266
   0.78556953  0.64459608  0.97879218
   0.53820067  0.64141568  0.89358449
   0.69994543  0.84130301  0.55557153
   0.49305709  0.82096900  0.46173135
   0.88293558  0.21111085  0.06709356
   0.93333593  0.40832184  0.30046099
   0.30863080  0.12249859  0.64720479
   0.25606679  0.77833497  0.74942690
   0.16762061  1.09475679  0.18002524
   0.24471852  1.12983153  0.04111239
   0.65165999  0.38858644  0.83106168
   0.92621268  0.44701237  0.65804888
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906223    0.440877   -0.209963
    -0.000000    9.926648   -0.060553
    -0.000000    0.000000   13.916925
   Si   O    H 
    32    64    10
Direct configuration=  2243
   0.15352180  0.18054526 -0.03540061
   0.34869464  0.08673228  0.37257142
   0.13660290  0.41862949  0.09904102
   0.37444240  0.33220194  0.24520363
   0.08136268  0.16234812  0.48808974
   0.39846615  0.10724053  0.86319566
   0.14401750  0.40957601  0.61210299
   0.38550983  0.36173353  0.75386100
   0.13570939  0.67616400 -0.01180607
   0.40676841  0.58892355  0.35505818
   0.09443058  0.88243927  0.14174867
   0.34467700  0.83518456  0.25134736
   0.17533025  0.65016166  0.49006236
   0.38123328  0.63436333  0.86072453
   0.05830402  0.90577959  0.60811084
   0.33492546  0.97419864  0.68705210
   0.62115707  0.14208314  1.01192003
   0.85404763  0.10349737  0.33486408
   0.60488470  0.40523140  0.12073543
   0.88455299  0.28185026  0.15558575
   0.62268985  0.17297193  0.48432251
   0.86736733  0.09363907  0.87465568
   0.60591708  0.44298897  0.60958517
   0.76452881  0.36767215  0.78310094
   0.61430731  0.66739340 -0.00450898
   0.90721736  0.59199998  0.38001335
   0.57762117  0.91361664  0.12099871
   0.84587261  0.82021703  0.23759576
   0.63406908  0.65809129  0.46056281
   0.86520538  0.61496423  0.88047116
   0.61506084  0.93044214  0.61659674
   0.84303933  0.85177735  0.75209643
   0.07867485  0.04419435  0.15896723
   0.34199871  0.17714787  0.27053052
   0.11480522  0.33854606 -0.00864541
   0.34611916  0.44474342  0.32864448
   0.52899322  0.36120096  0.21679845
   0.28406279  0.35859125  0.14421659
   0.22116625  0.09453360  0.43782473
  -0.02370279  0.17740654  0.39925117
   0.02287574  0.06125658  0.57479113
   0.45640562  0.21918101  0.79446258
   0.08909807  0.31150791  0.53252782
   0.35159185  0.46921677  0.84326194
   0.48584652  0.43045595  0.68180898
   0.24002683  0.33853882  0.69850614
   0.24285568  0.18336742 -0.12685380
   0.00099344  0.11642818  0.94208203
   0.12407998  0.57831510  0.08110214
   0.40282354  0.68014174  0.25729937
   0.13834688  0.83529311  0.03213185
   0.34946087  0.92980020  0.34249136
   0.42075572  0.92104817  0.16741402
   0.18167283  0.82548749  0.23284845
   0.31876256  0.67110228  0.43511106
   0.06092829  0.58533890  0.42170223
   0.22620163  0.52576414  0.55928838
   0.34927493  0.71554948  0.76591654
   0.11666550  0.80373461  0.52154073
   0.38841809  0.97541435  0.80439772
   0.45435435  0.91328698  0.61768055
   0.19497175  0.89661907  0.68268120
   0.28453238  0.66718482 -0.05307263
   0.01728605  0.64218716  0.90844408
   0.61901130  0.06979450  0.11165636
   0.85682542  0.17471863  0.23688785
   0.59685432  0.30799821  0.02496672
   0.85971843  0.44079221  0.36545690
   0.02751458  0.37182251  0.17343853
   0.76953943  0.40194795  0.14652624
   0.73433430  0.15474391  0.40238617
   0.47825728  0.13606709  0.42629651
   0.66263933  0.06945575  0.56961295
   0.82078206  0.20992240  0.79973450
   0.60721511  0.32673595  0.52546627
   0.86862120  0.46402597  0.82735357
   1.01845903  0.49232426  0.66422102
   0.74995459  0.41703952  0.67063222
   0.72721783  0.09203626  0.93357211
   0.47632840  0.08996108  0.96330920
   0.57323337  0.55896912  0.07996128
   0.89788092  0.67057828  0.27277963
   0.57025955  0.82411277  0.01939938
   0.85762861  0.93926498  0.31583356
   0.94536819  0.83923572  0.14342639
   0.68164514  0.83869214  0.20445031
   0.79386936  0.66290393  0.45169799
   0.57196517  0.55605453  0.37946901
   0.60807461  0.59365910  0.56571837
   0.78896348  0.72113212  0.80806175
   0.57715585  0.80661197  0.43305456
   0.91073562  0.93931729  0.83922841
   0.94533099  0.82819345  0.66735168
   0.68897496  0.91002134  0.71912530
   0.78772852  0.64459697  0.97988034
   0.53678250  0.64057416  0.89279787
   0.69331800  0.84130449  0.55734727
   0.48242232  0.82234175  0.45827498
   0.88480187  0.21143977  0.06490430
   0.91508137  0.41064042  0.30515518
   0.31025974  0.11275672  0.64920247
   0.26517090  0.77217554  0.75688713
   0.16907127  1.09993973  0.18263362
   0.24870865  1.13313203  0.03947502
   0.64274965  0.39260756  0.83343647
   0.92586047  0.45310491  0.66249500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905199    0.440197   -0.208046
    -0.000000    9.926494   -0.060765
    -0.000000    0.000000   13.917432
   Si   O    H 
    32    64    10
Direct configuration=  2244
   0.15211369  0.18227185 -0.03578407
   0.34824397  0.08675210  0.37204834
   0.13639519  0.41898581  0.09799567
   0.37438659  0.33215981  0.24471887
   0.08134532  0.16177671  0.48793316
   0.39778208  0.10924665  0.86327553
   0.14481174  0.40926012  0.61288909
   0.38460725  0.36158245  0.75424454
   0.13635580  0.67663117 -0.01214793
   0.40728417  0.58836013  0.35450339
   0.09587018  0.88363463  0.14121998
   0.34418087  0.83412748  0.25122257
   0.17529969  0.65172567  0.49113072
   0.38123602  0.63326773  0.86202934
   0.05924207  0.90561686  0.60898773
   0.33416349  0.97545834  0.68751064
   0.62024218  0.14130554  1.01117039
   0.85479306  0.10463786  0.33474419
   0.60442297  0.40511094  0.12037764
   0.88487442  0.28225782  0.15498068
   0.62373370  0.17339039  0.48365360
   0.86621392  0.09413153  0.87472002
   0.60552278  0.44313889  0.60979462
   0.76508510  0.36826726  0.78239253
   0.61402837  0.66711497 -0.00426951
   0.90772288  0.59110733  0.38063798
   0.57876570  0.91274965  0.12183933
   0.84618850  0.81906897  0.23665232
   0.63441459  0.65837232  0.45982752
   0.86565318  0.61383092  0.88009118
   0.61458451  0.92988398  0.61684090
   0.84288240  0.85244549  0.75177335
   0.07812771  0.04513581  0.16065820
   0.34183443  0.17612986  0.26985928
   0.11555203  0.33826557 -0.00835475
   0.34635269  0.44511914  0.32909694
   0.53082937  0.36101336  0.21678094
   0.28395666  0.35834579  0.14453680
   0.22304944  0.09367468  0.43881662
  -0.02471871  0.17663234  0.39947781
   0.02439380  0.06394023  0.57445714
   0.45607562  0.21800127  0.79444123
   0.08699156  0.31138414  0.53266232
   0.35033907  0.46799987  0.84230506
   0.48653990  0.43203196  0.68184928
   0.23921718  0.33860599  0.69955926
   0.24528178  0.18257961 -0.12695610
   0.00366004  0.11642584  0.94181386
   0.12567658  0.57690874  0.08023563
   0.40188300  0.68182319  0.25607128
   0.13786868  0.83650786  0.03209882
   0.34977211  0.92831960  0.34307741
   0.41988391  0.92249891  0.16670007
   0.18246316  0.82564687  0.23171888
   0.31958563  0.67143627  0.43339714
   0.06220653  0.58608072  0.42216941
   0.22642022  0.52571752  0.55977182
   0.34812793  0.71713989  0.76658872
   0.11575568  0.80405248  0.52182642
   0.38823101  0.97370579  0.80475500
   0.45377830  0.91428169  0.61738120
   0.19386304  0.89751111  0.68157032
   0.28577347  0.66668476 -0.05389549
   0.01762695  0.64199018  0.90943385
   0.61905186  0.06919471  0.11161094
   0.85454647  0.17457175  0.23754571
   0.59647829  0.30807048  0.02532983
   0.85904041  0.44006309  0.36515996
   0.02705582  0.37073191  0.17278010
   0.77013148  0.40172298  0.14704739
   0.73365837  0.15443825  0.40295688
   0.47931092  0.13602687  0.42637870
   0.66347464  0.06889861  0.56945025
   0.82156280  0.21081273  0.79841651
   0.60915549  0.32675933  0.52482845
   0.86779791  0.46446730  0.82787370
   1.01721278  0.49263387  0.66351352
   0.74814018  0.41591507  0.67192118
   0.72860816  0.09115080  0.93443561
   0.47752920  0.09022598  0.96351376
   0.57322583  0.55831271  0.07888065
   0.89614693  0.67054539  0.27351567
   0.57057921  0.82310088  0.02008187
   0.85860762  0.93852044  0.31622489
   0.94479156  0.83852244  0.14392322
   0.68054313  0.83895352  0.20417756
   0.79508944  0.66352097  0.45223473
   0.57234397  0.55452407  0.37874344
   0.60752475  0.59565386  0.56608186
   0.78740111  0.72032786  0.80848220
   0.57743952  0.80733825  0.43262970
   0.91034705  0.93940637  0.83994921
   0.94461611  0.82754131  0.66654973
   0.68804254  0.90894777  0.71873232
   0.78803139  0.64401159  0.98126207
   0.53586441  0.64042402  0.89275641
   0.68783045  0.84082611  0.55935216
   0.47421622  0.82202528  0.45304212
   0.88719563  0.20636836  0.06297297
   0.88885955  0.41397954  0.31381936
   0.31359951  0.10339500  0.64983441
   0.27398426  0.76348348  0.76160252
   0.15910460  1.10387155  0.18180798
   0.24994906  1.13407636  0.04094077
   0.63237698  0.39271212  0.83447811
   0.93409328  0.45826621  0.66586809
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904427    0.439931   -0.206398
    -0.000000    9.926476   -0.060691
    -0.000000    0.000000   13.917569
   Si   O    H 
    32    64    10
Direct configuration=  2245
   0.15056130  0.18350105 -0.03573685
   0.34745084  0.08650929  0.37127082
   0.13604535  0.41856501  0.09708338
   0.37479235  0.33179118  0.24395905
   0.08144796  0.16071071  0.48747811
   0.39649785  0.11137423  0.86356627
   0.14483820  0.40928850  0.61378805
   0.38382880  0.36153830  0.75461661
   0.13684583  0.67703962 -0.01291817
   0.40814791  0.58697186  0.35409293
   0.09753796  0.88493471  0.14056907
   0.34396997  0.83365667  0.25094052
   0.17489018  0.65354267  0.49211619
   0.38124146  0.63160732  0.86292870
   0.06043422  0.90578676  0.61010072
   0.33281787  0.97633364  0.68801198
   0.61949435  0.14060375  1.01078901
   0.85528958  0.10518358  0.33493713
   0.60478927  0.40483482  0.11994695
   0.88563745  0.28300805  0.15450428
   0.62437843  0.17365007  0.48285203
   0.86454124  0.09472924  0.87489449
   0.60526159  0.44342023  0.61010669
   0.76595425  0.36824276  0.78190815
   0.61506434  0.66616983 -0.00442598
   0.90823192  0.59013909  0.38120637
   0.57952313  0.91168542  0.12264500
   0.84645769  0.81780761  0.23579847
   0.63439616  0.65842052  0.45932360
   0.86615521  0.61342405  0.87984985
   0.61437553  0.92909585  0.61698660
   0.84194422  0.85338324  0.75156097
   0.07760116  0.04706169  0.16279313
   0.34169776  0.17542624  0.26967456
   0.11604501  0.33883431 -0.00784394
   0.34608945  0.44435513  0.32976613
   0.53207788  0.35978494  0.21684364
   0.28385978  0.35811850  0.14521089
   0.22401974  0.09271806  0.43997955
  -0.02582780  0.17565226  0.40024219
   0.02490959  0.06592078  0.57404849
   0.45592975  0.21791059  0.79412859
   0.08449558  0.31196835  0.53242934
   0.34918574  0.46757293  0.84177125
   0.48641877  0.43293839  0.68206548
   0.23827427  0.33852939  0.70054822
   0.24743030  0.18192758 -0.12738134
   0.00566280  0.11659347  0.94156194
   0.12704384  0.57582371  0.07926125
   0.40173803  0.68285737  0.25559003
   0.13742106  0.83766775  0.03182176
   0.34961033  0.92752278  0.34385165
   0.41927101  0.92371363  0.16564290
   0.18316344  0.82466101  0.23112286
   0.32042909  0.67160957  0.43200622
   0.06350558  0.58726001  0.42274541
   0.22606635  0.52639137  0.56010075
   0.34892302  0.71805235  0.76742955
   0.11574397  0.80438184  0.52168706
   0.38689957  0.97210755  0.80426470
   0.45338212  0.91505509  0.61716106
   0.19299340  0.89775865  0.68084256
   0.28715288  0.66567606 -0.05405556
   0.01911877  0.64247703  0.91071810
   0.61885812  0.06805586  0.11198199
   0.85269844  0.17527086  0.23786673
   0.59617365  0.30773738  0.02555120
   0.85760499  0.43991382  0.36642608
   0.02610084  0.36913552  0.17253240
   0.77062781  0.40167801  0.14779379
   0.73276291  0.15394828  0.40307660
   0.48070268  0.13629023  0.42669997
   0.66401277  0.06817006  0.56912999
   0.82272332  0.21118669  0.79725933
   0.61056055  0.32738414  0.52398642
   0.86707777  0.46509962  0.82888392
   1.01721292  0.49280314  0.66259785
   0.74667982  0.41504660  0.67311390
   0.73042406  0.09099063  0.93548093
   0.47862587  0.09058060  0.96339311
   0.57282094  0.55860100  0.07794195
   0.89461064  0.67068897  0.27384596
   0.57059242  0.82217099  0.02085910
   0.86012097  0.93835930  0.31684231
   0.94334414  0.83744875  0.14360356
   0.67975133  0.83877774  0.20381884
   0.79726311  0.66420842  0.45315602
   0.57253578  0.55305580  0.37775042
   0.60729156  0.59711065  0.56619784
   0.78659151  0.71961161  0.80919505
   0.57699405  0.80902283  0.43267766
   0.90993691  0.94007078  0.84038047
   0.94379968  0.82723933  0.66550781
   0.68777977  0.90835345  0.71831594
   0.78702607  0.64346533  0.98222947
   0.53590480  0.63997473  0.89306331
   0.68753877  0.83206356  0.56009083
   0.47471868  0.82039155  0.44476155
   0.88830024  0.20084852  0.06170236
   0.88294368  0.39970403  0.29564002
   0.31582852  0.10375760  0.64549703
   0.25788705  0.76990618  0.76434383
   0.14469110  1.09738636  0.17809087
   0.24696645  1.13046342  0.04360272
   0.62805538  0.39442263  0.83587274
   0.92754633  0.45712239  0.66884821
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903718    0.439565   -0.205163
    -0.000000    9.926354   -0.060443
    -0.000000    0.000000   13.918044
   Si   O    H 
    32    64    10
Direct configuration=  2246
   0.14911119  0.18461509 -0.03503489
   0.34695393  0.08647929  0.37031935
   0.13602432  0.41763290  0.09662823
   0.37570866  0.33100425  0.24305119
   0.08160188  0.16010613  0.48705936
   0.39526145  0.11330631  0.86379258
   0.14496794  0.40941528  0.61468656
   0.38271135  0.36175500  0.75475264
   0.13697714  0.67805082 -0.01303184
   0.40891763  0.58569436  0.35349181
   0.09927194  0.88618536  0.13971327
   0.34374480  0.83330909  0.25066674
   0.17484656  0.65545204  0.49312225
   0.38103113  0.62986832  0.86331413
   0.06153901  0.90592918  0.61092726
   0.33168241  0.97673805  0.68867099
   0.61835993  0.14007384  1.01050669
   0.85567289  0.10517413  0.33520787
   0.60554528  0.40442605  0.11946954
   0.88638844  0.28422076  0.15418256
   0.62447178  0.17348525  0.48157561
   0.86345536  0.09525942  0.87554813
   0.60609546  0.44380245  0.61007409
   0.76660685  0.36798449  0.78200379
   0.61621446  0.66505271 -0.00465805
   0.90837913  0.58921211  0.38182183
   0.57962012  0.91045815  0.12372687
   0.84627638  0.81739738  0.23476384
   0.63439326  0.65895128  0.45861663
   0.86677886  0.61308007  0.88027164
   0.61388027  0.92810038  0.61674693
   0.84114409  0.85471067  0.75172873
   0.07648246  0.04748484  0.16467568
   0.34177728  0.17509070  0.26933034
   0.11570418  0.34024120 -0.00728765
   0.34569102  0.44327934  0.33034858
   0.53364073  0.35824252  0.21718474
   0.28338945  0.35853362  0.14555062
   0.22366827  0.09268952  0.44163556
  -0.02661729  0.17445990  0.40143122
   0.02527689  0.06721554  0.57346313
   0.45620086  0.21863019  0.79409307
   0.08256690  0.31240724  0.53249122
   0.34841115  0.46741825  0.84104474
   0.48609872  0.43356856  0.68218323
   0.23711054  0.33842406  0.70081783
   0.24890331  0.18161759 -0.12785559
   0.00805515  0.11657359  0.94111248
   0.12808437  0.57519238  0.07829840
   0.40186551  0.68296089  0.25488915
   0.13660962  0.83752931  0.03145932
   0.35001124  0.92694445  0.34532783
   0.41844077  0.92510433  0.16531297
   0.18413021  0.82314182  0.23124162
   0.32113860  0.67138093  0.43064879
   0.06403561  0.58861684  0.42334773
   0.22556623  0.52761064  0.55997760
   0.34937164  0.71889191  0.76835471
   0.11592390  0.80512432  0.52152374
   0.38562928  0.97011264  0.80411755
   0.45238761  0.91602582  0.61679239
   0.19210847  0.89823420  0.68100175
   0.28760928  0.66499048 -0.05382577
   0.02167098  0.64293732  0.91195516
   0.61981607  0.06637369  0.11281290
   0.85176000  0.17690822  0.23730511
   0.59589471  0.30759862  0.02591083
   0.85700566  0.43944023  0.36728547
   0.02489024  0.36710703  0.17186465
   0.77039683  0.40114548  0.14863674
   0.73165675  0.15378196  0.40349810
   0.48182264  0.13681327  0.42702381
   0.66397749  0.06742845  0.56954115
   0.82382722  0.21203893  0.79605777
   0.61137264  0.32840524  0.52313706
   0.86747608  0.46588375  0.83022767
   1.01682293  0.49257393  0.66141799
   0.74494310  0.41454854  0.67389844
   0.73151079  0.09040614  0.93658645
   0.47965690  0.09041571  0.96295176
   0.57237672  0.55859342  0.07680336
   0.89366278  0.67077276  0.27425707
   0.57137950  0.82133334  0.02168145
   0.86131100  0.93784639  0.31744388
   0.94168104  0.83643469  0.14384079
   0.67912300  0.83878362  0.20336203
   0.79938756  0.66473377  0.45413959
   0.57257108  0.55175685  0.37729031
   0.60715161  0.59769262  0.56614154
   0.78610611  0.71847307  0.80962645
   0.57579969  0.81056255  0.43303103
   0.90876905  0.94043606  0.84034542
   0.94340652  0.82692266  0.66429059
   0.68826066  0.90704977  0.71836134
   0.78569837  0.64287148  0.98203448
   0.53666075  0.63990479  0.89389767
   0.68808482  0.82093335  0.55905253
   0.47868430  0.82317391  0.43639841
   0.88973157  0.19673962  0.05946939
   0.87759713  0.39655858  0.28555541
   0.31728834  0.10949297  0.63811869
   0.24964169  0.77134504  0.76456743
   0.14825449  1.10658515  0.18000091
   0.24132513  1.12562116  0.04300174
   0.63082546  0.39265043  0.83602626
   0.92026191  0.45430558  0.67054532
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902855    0.439557   -0.203862
    -0.000000    9.926449   -0.060250
    -0.000000    0.000000   13.918438
   Si   O    H 
    32    64    10
Direct configuration=  2247
   0.14807700  0.18596519 -0.03475520
   0.34667333  0.08608547  0.36965601
   0.13579549  0.41665205  0.09615537
   0.37628241  0.33082535  0.24216265
   0.08123958  0.15908805  0.48687712
   0.39390784  0.11527456  0.86410008
   0.14517819  0.41020522  0.61592319
   0.38157977  0.36209242  0.75506985
   0.13700867  0.67908191 -0.01277990
   0.41007034  0.58456059  0.35292056
   0.10008146  0.88694306  0.13910198
   0.34376865  0.83314373  0.25022446
   0.17525872  0.65653026  0.49362355
   0.38089691  0.62731600  0.86304466
   0.06221902  0.90666323  0.61136141
   0.33032750  0.97730659  0.68931692
   0.61720466  0.13981359  1.01037523
   0.85604277  0.10512099  0.33580106
   0.60578383  0.40468319  0.11952752
   0.88716780  0.28554551  0.15352347
   0.62427568  0.17329605  0.48074800
   0.86312104  0.09604081  0.87608985
   0.60693389  0.44468140  0.61027724
   0.76743426  0.36777981  0.78224547
   0.61738878  0.66344086 -0.00477977
   0.90850881  0.58883092  0.38225258
   0.57969106  0.90889460  0.12461796
   0.84603977  0.81729027  0.23440259
   0.63467009  0.65925094  0.45832964
   0.86759869  0.61342996  0.88107039
   0.61372709  0.92715319  0.61631870
   0.84026038  0.85646493  0.75178197
   0.07561751  0.04677058  0.16590205
   0.34229511  0.17396201  0.26863083
   0.11527802  0.34128146 -0.00671724
   0.34482680  0.44219073  0.33014683
   0.53532970  0.35701202  0.21705908
   0.28278726  0.35921979  0.14583941
   0.22261272  0.09393984  0.44298531
  -0.02784098  0.17292385  0.40243875
   0.02570608  0.06814123  0.57352245
   0.45695730  0.21897999  0.79339866
   0.08067106  0.31174604  0.53270718
   0.34734435  0.46681759  0.84038129
   0.48562895  0.43337872  0.68222229
   0.23586443  0.33824496  0.70102942
   0.24967002  0.18216205 -0.12819134
   0.01088214  0.11658814  0.94028806
   0.12902962  0.57550750  0.07681570
   0.40248559  0.68269401  0.25443862
   0.13642406  0.83731221  0.03150864
   0.35047753  0.92619696  0.34680877
   0.41812415  0.92516525  0.16515933
   0.18466825  0.82183218  0.23187968
   0.32166570  0.67158670  0.42896131
   0.06501956  0.58998971  0.42368135
   0.22443452  0.52896452  0.55993686
   0.34898460  0.71962423  0.76906103
   0.11598721  0.80602518  0.52135208
   0.38480644  0.96784915  0.80390341
   0.45112096  0.91667553  0.61666858
   0.19132203  0.89876885  0.68152708
   0.28706561  0.66538742 -0.05324885
   0.02359060  0.64381008  0.91208736
   0.62092635  0.06372296  0.11378113
   0.85075472  0.17838944  0.23646561
   0.59479512  0.30749634  0.02606427
   0.85623852  0.43889108  0.36663815
   0.02355705  0.36585169  0.17197112
   0.76980970  0.40107568  0.14902967
   0.73090917  0.15357761  0.40388206
   0.48196833  0.13732439  0.42679837
   0.66404309  0.06703057  0.57040607
   0.82471772  0.21292218  0.79526963
   0.61263326  0.32935542  0.52247446
   0.86913915  0.46633179  0.83187667
   1.01579464  0.49284177  0.66079833
   0.74420870  0.41412736  0.67447465
   0.73301756  0.08917526  0.93812750
   0.48070788  0.09077151  0.96281523
   0.57248236  0.55786919  0.07561469
   0.89284788  0.67060989  0.27494887
   0.57317314  0.82006658  0.02264838
   0.86277154  0.93758523  0.31738672
   0.93988493  0.83571915  0.14406216
   0.67944549  0.83848015  0.20313789
   0.80191185  0.66516683  0.45511930
   0.57235083  0.55145236  0.37684475
   0.60641920  0.59839656  0.56568667
   0.78664483  0.71812651  0.81000395
   0.57446810  0.81196192  0.43392434
   0.90738071  0.94112029  0.84003300
   0.94423780  0.82616365  0.66298714
   0.68891407  0.90498678  0.71840287
   0.78442085  0.64197814  0.98104951
   0.53802245  0.63905821  0.89444614
   0.68766920  0.81366014  0.56007611
   0.47812545  0.82554726  0.42947319
   0.89000562  0.19924126  0.06277163
   0.86673666  0.40533790  0.29117113
   0.31682438  0.11559021  0.63394674
   0.25550157  0.76664837  0.76492143
   0.15490242  1.11336393  0.18252088
   0.23434951  1.12102298  0.04342262
   0.63415961  0.38897870  0.83052827
   0.92466257  0.45571748  0.66807398
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902461    0.439806   -0.202593
    -0.000000    9.926415   -0.060114
    -0.000000    0.000000   13.919167
   Si   O    H 
    32    64    10
Direct configuration=  2248
   0.14739510  0.18644257 -0.03443802
   0.34690461  0.08546290  0.36929076
   0.13578327  0.41594286  0.09568909
   0.37675993  0.33053535  0.24185025
   0.08057918  0.15788764  0.48670239
   0.39242833  0.11666745  0.86409259
   0.14524142  0.41083814  0.61717195
   0.38053967  0.36272199  0.75489195
   0.13722711  0.68038463 -0.01245644
   0.41116810  0.58351154  0.35197636
   0.10020558  0.88813841  0.13832642
   0.34368916  0.83296575  0.24936464
   0.17618126  0.65749428  0.49411644
   0.38079888  0.62476784  0.86250522
   0.06242952  0.90725151  0.61127936
   0.32970212  0.97838666  0.69022765
   0.61679162  0.14046050  1.01077231
   0.85625505  0.10504213  0.33647932
   0.60605192  0.40479744  0.11953666
   0.88806904  0.28634561  0.15259571
   0.62410653  0.17294777  0.47999895
   0.86278649  0.09619927  0.87698887
   0.60730947  0.44520521  0.61001286
   0.76832998  0.36733332  0.78311518
   0.61788862  0.66167295 -0.00479318
   0.90892703  0.58850978  0.38263674
   0.57965204  0.90675088  0.12535364
   0.84579064  0.81690756  0.23390186
   0.63528983  0.65931424  0.45814294
   0.86860681  0.61358898  0.88207094
   0.61391305  0.92611406  0.61533431
   0.83879317  0.85794078  0.75179387
   0.07509259  0.04689190  0.16688070
   0.34318557  0.17263412  0.26851545
   0.11589808  0.34261014 -0.00603619
   0.34539770  0.44016277  0.32945336
   0.53660937  0.35478802  0.21675383
   0.28198539  0.36034044  0.14638305
   0.22124657  0.09562511  0.44435861
  -0.02810424  0.17112923  0.40296033
   0.02577434  0.06732726  0.57338820
   0.45862982  0.21989131  0.79233071
   0.07882920  0.31082534  0.53305772
   0.34646929  0.46712994  0.83976376
   0.48478476  0.43358358  0.68251336
   0.23542666  0.33745666  0.70116153
   0.24909153  0.18237592 -0.12845178
   0.01357693  0.11656304  0.94007350
   0.12914915  0.57513477  0.07587753
   0.40324415  0.68199589  0.25374545
   0.13613271  0.83775378  0.03157705
   0.35120183  0.92521571  0.34823475
   0.41849180  0.92550305  0.16584289
   0.18526188  0.82064970  0.23309126
   0.32189733  0.67157262  0.42735167
   0.06583507  0.59120981  0.42326192
   0.22424885  0.53057858  0.56017978
   0.34785793  0.72065727  0.76972807
   0.11618333  0.80721297  0.52105095
   0.38420328  0.96572850  0.80368586
   0.45001198  0.91675150  0.61736209
   0.19116362  0.89944990  0.68245985
   0.28558533  0.66579626 -0.05271848
   0.02539788  0.64475500  0.91225613
   0.62226415  0.06224494  0.11437152
   0.84991465  0.18007383  0.23542116
   0.59378040  0.30741857  0.02549576
   0.85581827  0.43786078  0.36489841
   0.02258958  0.36419461  0.17175108
   0.76944327  0.40166617  0.14900975
   0.73042344  0.15289645  0.40344544
   0.48227326  0.13704408  0.42653137
   0.66417841  0.06785797  0.57108761
   0.82540962  0.21394764  0.79465678
   0.61415469  0.32897814  0.52183413
   0.86990592  0.46658795  0.83422148
   1.01448939  0.49294763  0.66014597
   0.74340662  0.41302558  0.67421015
   0.73508089  0.08835225  0.94026055
   0.48122344  0.09158333  0.96244444
   0.57239055  0.55678194  0.07515923
   0.89285039  0.66983364  0.27578798
   0.57589980  0.81865957  0.02373888
   0.86464403  0.93763619  0.31684233
   0.93867720  0.83468053  0.14432922
   0.68008705  0.83860209  0.20280063
   0.80444944  0.66617307  0.45610425
   0.57276862  0.55150847  0.37693535
   0.60612494  0.59966291  0.56503931
   0.78757063  0.71785181  0.81060151
   0.57354014  0.81356161  0.43461257
   0.90623697  0.94217387  0.84013737
   0.94454240  0.82570583  0.66196925
   0.68902069  0.90378323  0.71889945
   0.78305021  0.64092289  0.98018965
   0.53895222  0.63828022  0.89482294
   0.68764919  0.81215892  0.56277923
   0.47214142  0.82802846  0.42264350
   0.88882285  0.20136981  0.06604445
   0.85568376  0.41849371  0.31045136
   0.31345745  0.11766127  0.63251196
   0.26760734  0.75789021  0.76663658
   0.15696653  1.10773896  0.18232459
   0.22601574  1.11827024  0.04344288
   0.63858273  0.38502155  0.82548961
   0.93337286  0.45698034  0.66320809
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902699    0.440106   -0.201797
    -0.000000    9.926193   -0.060298
    -0.000000    0.000000   13.919920
   Si   O    H 
    32    64    10
Direct configuration=  2249
   0.14681820  0.18696414 -0.03412032
   0.34729811  0.08501617  0.36931888
   0.13656192  0.41532080  0.09558173
   0.37682368  0.33047185  0.24162261
   0.07973388  0.15676319  0.48647923
   0.39100567  0.11692296  0.86433211
   0.14504965  0.41144206  0.61801194
   0.37943750  0.36273971  0.75427805
   0.13722449  0.68164569 -0.01222257
   0.41211698  0.58300440  0.35099378
   0.10009508  0.88893875  0.13757775
   0.34413068  0.83335736  0.24906240
   0.17742982  0.65794052  0.49423868
   0.38009028  0.62187105  0.86168382
   0.06294242  0.90652190  0.61125777
   0.32889773  0.97951466  0.69031243
   0.61651647  0.14070075  1.01104404
   0.85644108  0.10434205  0.33687350
   0.60686715  0.40541616  0.11929374
   0.88862993  0.28657859  0.15137531
   0.62429460  0.17283425  0.47990145
   0.86291373  0.09664010  0.87787585
   0.60769021  0.44603437  0.60963723
   0.76897531  0.36740618  0.78316534
   0.61863466  0.66014495 -0.00458880
   0.90922033  0.58847321  0.38309362
   0.57993158  0.90485358  0.12637663
   0.84525219  0.81694567  0.23348723
   0.63589516  0.65971283  0.45796619
   0.86907418  0.61384100  0.88314996
   0.61389793  0.92505250  0.61434791
   0.83694442  0.85882836  0.75205731
   0.07570488  0.04727309  0.16765203
   0.34400711  0.17161221  0.26823200
   0.11638325  0.34349574 -0.00566832
   0.34589829  0.43780769  0.32852755
   0.53708757  0.35290559  0.21648128
   0.28148272  0.36228737  0.14659741
   0.21973457  0.09766199  0.44579556
  -0.02827518  0.16918982  0.40292607
   0.02560507  0.06632549  0.57314177
   0.46134053  0.22138317  0.79134603
   0.07725676  0.30901574  0.53340787
   0.34610238  0.46783490  0.83915040
   0.48461585  0.43307884  0.68305479
   0.23515676  0.33696996  0.70120468
   0.24744394  0.18233608 -0.12858437
   0.01534303  0.11625226  0.93948342
   0.12872819  0.57487777  0.07518849
   0.40418901  0.68122280  0.25353087
   0.13546161  0.83881244  0.03155227
   0.35244135  0.92511021  0.34994174
   0.41814409  0.92475452  0.16625239
   0.18518983  0.82009515  0.23427257
   0.32153955  0.67172239  0.42660960
   0.06603898  0.59212771  0.42284357
   0.22429528  0.53301140  0.56068993
   0.34865757  0.72071295  0.77053090
   0.11576949  0.80827045  0.51998084
   0.38406205  0.96437982  0.80382782
   0.44804104  0.91609681  0.61824038
   0.19066389  0.90066328  0.68297053
   0.28406306  0.66693996 -0.05288476
   0.02651720  0.64568455  0.91208148
   0.62344429  0.06132264  0.11486099
   0.84877457  0.18162988  0.23455998
   0.59307790  0.30779692  0.02498274
   0.85553136  0.43806776  0.36551508
   0.02169434  0.36166318  0.17124797
   0.76914998  0.40326457  0.14894651
   0.73035166  0.15113573  0.40270758
   0.48148077  0.13701370  0.42591183
   0.66449201  0.06914640  0.57101768
   0.82629674  0.21434378  0.79462532
   0.61578151  0.32976233  0.52128050
   0.87032145  0.46613833  0.83697380
   1.01477325  0.49320908  0.65920240
   0.74246164  0.41156644  0.67352589
   0.73736910  0.08738733  0.94257645
   0.48109150  0.09200703  0.96158341
   0.57245351  0.55626226  0.07458443
   0.89279299  0.66890605  0.27759967
   0.57794566  0.81714894  0.02504216
   0.86680950  0.93753326  0.31635626
   0.93783482  0.83341370  0.14429004
   0.68111778  0.83783008  0.20282441
   0.80583657  0.66708179  0.45691892
   0.57260938  0.55133280  0.37696400
   0.60622217  0.60054351  0.56493241
   0.78807064  0.71803843  0.81077994
   0.57213872  0.81500468  0.43548811
   0.90562931  0.94359809  0.84025081
   0.94432904  0.82516739  0.66152855
   0.68869291  0.90308470  0.71931001
   0.78184271  0.63890463  0.97999128
   0.54032702  0.63734808  0.89470441
   0.68593104  0.81559503  0.56472279
   0.47055879  0.83034971  0.41758686
   0.89065631  0.20249110  0.06609740
   0.84191246  0.41220101  0.28800468
   0.31302254  0.11446134  0.63613906
   0.25515000  0.76412567  0.76781146
   0.15242863  1.09557573  0.17930401
   0.21798847  1.11678526  0.04371912
   0.64115219  0.37924379  0.82272445
   0.92439087  0.44871214  0.66019796
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903040    0.440323   -0.200762
    -0.000000    9.925779   -0.060113
    -0.000000    0.000000   13.920819
   Si   O    H 
    32    64    10
Direct configuration=  2250
   0.14625139  0.18717158 -0.03413058
   0.34782648  0.08481230  0.36926000
   0.13720670  0.41452928  0.09545946
   0.37708994  0.33082052  0.24145871
   0.07914493  0.15555520  0.48634832
   0.38983732  0.11652652  0.86434030
   0.14452319  0.41191445  0.61879050
   0.37879889  0.36222283  0.75377511
   0.13720924  0.68251465 -0.01221981
   0.41282368  0.58248556  0.35006022
   0.10029564  0.88977532  0.13681727
   0.34456821  0.83465770  0.24806346
   0.17884680  0.65881173  0.49387525
   0.38024703  0.61922214  0.86109156
   0.06329218  0.90544030  0.61092712
   0.32839006  0.98097376  0.69062250
   0.61617495  0.14123551  1.01162075
   0.85615828  0.10358077  0.33755206
   0.60797711  0.40574471  0.11897729
   0.88845484  0.28671342  0.15065062
   0.62368858  0.17247951  0.48029426
   0.86385965  0.09682885  0.87859633
   0.60852025  0.44615175  0.60946427
   0.76968302  0.36719028  0.78304369
   0.61901402  0.65884299 -0.00437695
   0.90827174  0.58850625  0.38357474
   0.57989333  0.90311866  0.12752506
   0.84399082  0.81751283  0.23319875
   0.63671110  0.66011302  0.45774907
   0.86988672  0.61415797  0.88407665
   0.61357568  0.92355446  0.61380567
   0.83519930  0.85956026  0.75220955
   0.07641727  0.04738331  0.16828405
   0.34507968  0.17081591  0.26786044
   0.11760774  0.34469171 -0.00541365
   0.34656280  0.43550734  0.32712031
   0.53699201  0.35083908  0.21647646
   0.27997894  0.36406480  0.14726501
   0.21809046  0.09945719  0.44676752
  -0.02796298  0.16778937  0.40226819
   0.02576804  0.06444449  0.57419875
   0.46420611  0.22269934  0.79020055
   0.07648280  0.30735828  0.53368297
   0.34650227  0.46861057  0.83888094
   0.48382545  0.43274622  0.68322003
   0.23425596  0.33629343  0.70159331
   0.24512629  0.18281902 -0.12851081
   0.01598819  0.11544618  0.93849216
   0.12844964  0.57477331  0.07500118
   0.40517205  0.67927412  0.25319059
   0.13472668  0.84025947  0.03150880
   0.35362387  0.92517680  0.35144283
   0.41786370  0.92389885  0.16651037
   0.18419702  0.81984321  0.23441485
   0.32060743  0.67191841  0.42592357
   0.06666359  0.59238341  0.42298599
   0.22432770  0.53471895  0.56196417
   0.34974995  0.72099963  0.77120625
   0.11593564  0.80958619  0.51921567
   0.38446955  0.96406015  0.80380431
   0.44687199  0.91503781  0.61941365
   0.18994892  0.90093493  0.68339196
   0.28332500  0.66781620 -0.05308364
   0.02669382  0.64572063  0.91161852
   0.62386676  0.06196359  0.11508638
   0.84748867  0.18331282  0.23370619
   0.59289623  0.30792008  0.02448195
   0.85509736  0.43851487  0.36564629
   0.02215075  0.35918249  0.17115289
   0.76903012  0.40516569  0.14930153
   0.73036298  0.15006037  0.40154306
   0.48123743  0.13665349  0.42515639
   0.66449574  0.07032816  0.57109283
   0.82583512  0.21508033  0.79534620
   0.61683451  0.33025239  0.52121696
   0.87089469  0.46569720  0.83933395
   1.01435358  0.49368722  0.65895475
   0.74152581  0.41066531  0.67247359
   0.73919237  0.08627125  0.94554513
   0.48031607  0.09174750  0.96093525
   0.57205472  0.55530207  0.07447910
   0.89237498  0.66757925  0.27966722
   0.57984334  0.81529166  0.02624560
   0.86917828  0.93807163  0.31589921
   0.93682690  0.83309179  0.14416567
   0.68221566  0.83617858  0.20314057
   0.80640856  0.66839890  0.45823837
   0.57172245  0.55142369  0.37702940
   0.60590580  0.60102023  0.56489885
   0.78891290  0.71750015  0.81066296
   0.57076037  0.81587097  0.43602190
   0.90557883  0.94488981  0.83997392
   0.94416962  0.82547873  0.66114416
   0.68876901  0.90305215  0.71953666
   0.78076854  0.63754590  0.97980854
   0.54134473  0.63592859  0.89451663
   0.68064289  0.81792709  0.56815020
   0.47456142  0.83032026  0.41485639
   0.89690517  0.20223135  0.06651351
   0.82973974  0.41141102  0.27836282
   0.31191498  0.10863195  0.64227974
   0.24958554  0.76893502  0.76744624
   0.15326944  1.09069749  0.17636765
   0.21168059  1.11443653  0.04618446
   0.63719003  0.37217553  0.82469444
   0.92351039  0.44358504  0.65677381
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903582    0.440623   -0.199993
    -0.000000    9.925044   -0.060258
    -0.000000    0.000000   13.921658
   Si   O    H 
    32    64    10
Direct configuration=  2251
   0.14551519  0.18812483 -0.03376136
   0.34812664  0.08408285  0.36878861
   0.13798456  0.41426935  0.09560647
   0.37751604  0.33107334  0.24129593
   0.07852772  0.15489318  0.48654208
   0.38951929  0.11579047  0.86423052
   0.14415527  0.41254901  0.61927127
   0.37731645  0.36237878  0.75295265
   0.13748030  0.68367837 -0.01208294
   0.41343499  0.58251366  0.34880665
   0.09962987  0.88985435  0.13594516
   0.34469645  0.83521998  0.24754194
   0.17994093  0.65918695  0.49361756
   0.38035136  0.61758859  0.86053497
   0.06338039  0.90486670  0.61044757
   0.32795037  0.98259997  0.69100226
   0.61577788  0.14225498  1.01209449
   0.85605710  0.10237497  0.33802989
   0.60990530  0.40544380  0.11881511
   0.88775902  0.28657290  0.15019386
   0.62277668  0.17235694  0.48040552
   0.86562726  0.09698145  0.87939748
   0.60911161  0.44632929  0.60882403
   0.77021546  0.36742402  0.78339929
   0.62025320  0.65783843 -0.00468941
   0.90748400  0.58896796  0.38379883
   0.57963128  0.90161261  0.12872641
   0.84294321  0.81783021  0.23311721
   0.63751200  0.66075471  0.45778511
   0.87039454  0.61467873  0.88496718
   0.61294250  0.92203522  0.61322939
   0.83440068  0.85995032  0.75226062
   0.07617912  0.04599367  0.16875174
   0.34586524  0.17007104  0.26745405
   0.11807121  0.34606841 -0.00549562
   0.34745347  0.43358025  0.32587378
   0.53674856  0.34884261  0.21670549
   0.27905676  0.36601611  0.14770373
   0.21713593  0.10094965  0.44765751
  -0.02769543  0.16652651  0.40208442
   0.02576936  0.06250936  0.57551121
   0.46651087  0.22369111  0.78917978
   0.07549623  0.30577642  0.53383766
   0.34597152  0.46868387  0.83872448
   0.48337759  0.43288945  0.68261165
   0.23251157  0.33484134  0.70195311
   0.24290002  0.18373542 -0.12787296
   0.01569568  0.11461818  0.93773225
   0.12783807  0.57489277  0.07506824
   0.40627081  0.67825551  0.25223970
   0.13390557  0.84161420  0.03100261
   0.35477531  0.92518999  0.35304129
   0.41761299  0.92331357  0.16660765
   0.18313204  0.81906780  0.23415728
   0.31960491  0.67132684  0.42508414
   0.06707363  0.59289296  0.42315184
   0.22424948  0.53616883  0.56322171
   0.35030458  0.72178172  0.77179282
   0.11693177  0.81051751  0.51856674
   0.38449041  0.96559441  0.80376077
   0.44604291  0.91382297  0.62056893
   0.18907117  0.90133471  0.68394679
   0.28322949  0.66833810 -0.05362096
   0.02602329  0.64618574  0.91135338
   0.62368232  0.06210064  0.11521072
   0.84615420  0.18387466  0.23341727
   0.59314229  0.30805741  0.02363821
   0.85442656  0.43796913  0.36558312
   0.02336741  0.35663598  0.17139147
   0.76813465  0.40637908  0.14946493
   0.72968867  0.14862304  0.40029140
   0.48057930  0.13654952  0.42471761
   0.66414280  0.07102147  0.57064827
   0.82521334  0.21454750  0.79626773
   0.61733602  0.33060049  0.52129950
   0.87171238  0.46445896  0.84169894
   1.01304512  0.49414082  0.65923956
   0.74135383  0.40972246  0.67173012
   0.74026835  0.08614340  0.94826167
   0.47809874  0.09164753  0.96048490
   0.57048205  0.55394785  0.07522266
   0.89130583  0.66609249  0.28165965
   0.58288230  0.81457343  0.02770839
   0.87089127  0.93857495  0.31513145
   0.93704226  0.83376720  0.14415097
   0.68316652  0.83501131  0.20424669
   0.80590463  0.66854839  0.45956111
   0.57102704  0.55159704  0.37746909
   0.60438201  0.60183737  0.56483268
   0.79092568  0.71672739  0.81016875
   0.56959605  0.81649721  0.43641117
   0.90571817  0.94665593  0.84001909
   0.94338833  0.82612952  0.66023795
   0.68842215  0.90344175  0.71927604
   0.77998122  0.63602227  0.97988061
   0.54197168  0.63528493  0.89428991
   0.68133450  0.81642626  0.56920528
   0.47737631  0.83208676  0.41383885
   0.90302787  0.20124540  0.06706299
   0.82130899  0.41838284  0.28225475
   0.30629986  0.10589498  0.64608032
   0.25974006  0.76639186  0.76689897
   0.16703444  1.09646009  0.17482946
   0.20689774  1.11352038  0.04675008
   0.63424099  0.36609632  0.82810197
   0.93130619  0.44273579  0.65121986
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904460    0.440532   -0.198751
    -0.000000    9.924291   -0.060606
    -0.000000    0.000000   13.922651
   Si   O    H 
    32    64    10
Direct configuration=  2252
   0.14485534  0.18852282 -0.03369171
   0.34802098  0.08410099  0.36883993
   0.13843358  0.41467267  0.09589857
   0.37825786  0.33102849  0.24097743
   0.07825307  0.15460199  0.48715304
   0.38951001  0.11445023  0.86332446
   0.14349170  0.41266931  0.61904873
   0.37577539  0.36235575  0.75231379
   0.13740960  0.68393301 -0.01201671
   0.41403041  0.58230846  0.34755767
   0.09917643  0.88989126  0.13556984
   0.34453641  0.83630675  0.24698587
   0.18144586  0.65916411  0.49325483
   0.38038296  0.61686784  0.86004800
   0.06344648  0.90455341  0.61015738
   0.32768776  0.98416884  0.69167883
   0.61511753  0.14319180  1.01272249
   0.85595205  0.10114735  0.33831120
   0.61150761  0.40521426  0.11833876
   0.88721611  0.28608286  0.15012316
   0.62169017  0.17171415  0.48080322
   0.86801538  0.09717564  0.88021012
   0.60953974  0.44596237  0.60796516
   0.77035012  0.36810954  0.78336278
   0.62110034  0.65669952 -0.00500374
   0.90661899  0.58958649  0.38366397
   0.57908584  0.90051302  0.12951621
   0.84257190  0.81785157  0.23319854
   0.63759719  0.66125715  0.45775589
   0.87140246  0.61555084  0.88549030
   0.61284421  0.92130648  0.61280369
   0.83413577  0.86006472  0.75266019
   0.07667404  0.04493418  0.16904360
   0.34732484  0.17013994  0.26724206
   0.11782229  0.34750474 -0.00527805
   0.34929962  0.43311993  0.32532328
   0.53689292  0.34730094  0.21684553
   0.27864966  0.36798543  0.14839225
   0.21683743  0.10147966  0.44748085
  -0.02746304  0.16425817  0.40171398
   0.02503385  0.06018157  0.57738902
   0.46835217  0.22429942  0.78847657
   0.07477561  0.30393092  0.53442885
   0.34588762  0.46863653  0.83846504
   0.48255466  0.43315613  0.68191276
   0.23106544  0.33375787  0.70243458
   0.24093058  0.18446788 -0.12729617
   0.01413657  0.11403843  0.93679930
   0.12745049  0.57538168  0.07563166
   0.40741070  0.67711047  0.25184049
   0.13314795  0.84258858  0.03050134
   0.35541508  0.92519690  0.35402988
   0.41744020  0.92282679  0.16689247
   0.18168257  0.81872030  0.23349292
   0.31922012  0.67022280  0.42413606
   0.06638630  0.59293996  0.42297774
   0.22439204  0.53732511  0.56497909
   0.35067085  0.72089316  0.77236448
   0.11778736  0.81147897  0.51808224
   0.38395024  0.96694246  0.80409831
   0.44488253  0.91223321  0.62119826
   0.18885633  0.90145224  0.68390143
   0.28297371  0.66841841 -0.05407403
   0.02535620  0.64730475  0.91114130
   0.62364607  0.06229362  0.11483029
   0.84444103  0.18470603  0.23295656
   0.59397479  0.30744280  0.02248305
   0.85394808  0.43768608  0.36434163
   0.02555109  0.35431222  0.17151425
   0.76733297  0.40666584  0.14991680
   0.72801337  0.14785538  0.39920272
   0.48027338  0.13628952  0.42449891
   0.66439969  0.07154752  0.57032219
   0.82547126  0.21323259  0.79732934
   0.61854250  0.33103620  0.52140543
   0.87375938  0.46373209  0.84405724
   1.01151072  0.49500530  0.65979236
   0.74173249  0.40901179  0.67119929
   0.74185050  0.08578679  0.95094923
   0.47622259  0.09241659  0.95943847
   0.56848537  0.55329997  0.07627832
   0.88953793  0.66522565  0.28336610
   0.58492203  0.81415529  0.02906630
   0.87200679  0.93916493  0.31460971
   0.93782528  0.83523828  0.14433296
   0.68489460  0.83358654  0.20485712
   0.80619950  0.66849736  0.46062996
   0.57067717  0.55244845  0.37821396
   0.60289232  0.60269135  0.56531778
   0.79336698  0.71649662  0.80927947
   0.56884643  0.81616327  0.43688370
   0.90535507  0.94741213  0.83848421
   0.94287224  0.82744023  0.66001917
   0.68706091  0.90450229  0.71855357
   0.77915717  0.63432504  0.97972913
   0.54238443  0.63378952  0.89393412
   0.68712165  0.80837053  0.56779393
   0.47648501  0.83433517  0.41172064
   0.90752840  0.19866282  0.06726281
   0.81806606  0.42732675  0.29840154
   0.29840281  0.11224723  0.64592268
   0.27488369  0.76220964  0.76774237
   0.16901777  1.09844240  0.17445597
   0.20317309  1.11380834  0.04589406
   0.63200224  0.36122789  0.83229459
   0.93855837  0.44112682  0.64645214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905070    0.439994   -0.197615
    -0.000000    9.923247   -0.060637
    -0.000000    0.000000   13.923779
   Si   O    H 
    32    64    10
Direct configuration=  2253
   0.14365657  0.18920090 -0.03378849
   0.34784452  0.08454551  0.36906163
   0.13907165  0.41490251  0.09681815
   0.37864760  0.33122301  0.24042632
   0.07824447  0.15389157  0.48779108
   0.38980346  0.11310404  0.86234937
   0.14296132  0.41299278  0.61831047
   0.37482737  0.36255321  0.75185733
   0.13774847  0.68337699 -0.01178269
   0.41426368  0.58237321  0.34637311
   0.09799197  0.89015056  0.13583350
   0.34334299  0.83706008  0.24662434
   0.18242712  0.65895785  0.49235731
   0.38067672  0.61616340  0.85967070
   0.06314391  0.90441677  0.60994852
   0.32784327  0.98524992  0.69253958
   0.61458507  0.14411342  1.01326483
   0.85621259  0.09971369  0.33801621
   0.61224583  0.40489931  0.11775963
   0.88687922  0.28517131  0.14992911
   0.62069695  0.17126370  0.48193521
   0.87049395  0.09750328  0.88120741
   0.60903527  0.44558553  0.60707956
   0.77006644  0.36916849  0.78371599
   0.62155556  0.65567088 -0.00559933
   0.90628733  0.59000716  0.38323622
   0.57879249  0.89926205  0.12982610
   0.84234011  0.81764021  0.23360132
   0.63753928  0.66165956  0.45821931
   0.87240534  0.61685006  0.88558697
   0.61263253  0.92052127  0.61215650
   0.83447709  0.86008354  0.75283526
   0.07739475  0.04417999  0.16952017
   0.34843670  0.17087366  0.26718791
   0.11833005  0.34861854 -0.00573923
   0.35107838  0.43350429  0.32434169
   0.53785844  0.34654676  0.21639021
   0.27832446  0.36953569  0.14906710
   0.21766194  0.10151804  0.44746710
  -0.02649113  0.16194263  0.40162543
   0.02433748  0.05759673  0.57881911
   0.47028313  0.22462555  0.78805077
   0.07447557  0.30384007  0.53558669
   0.34542249  0.46812011  0.83788594
   0.48193562  0.43353729  0.68126730
   0.22976146  0.33257049  0.70228429
   0.24003664  0.18440156 -0.12669650
   0.01300689  0.11392270  0.93610202
   0.12710045  0.57584161  0.07661199
   0.40914138  0.67516237  0.25162117
   0.13194115  0.84335639  0.02982853
   0.35637912  0.92403626  0.35446336
   0.41797588  0.92209787  0.16696431
   0.17974175  0.81872195  0.23316430
   0.31828234  0.66987339  0.42375594
   0.06433902  0.59317281  0.42290182
   0.22357955  0.53904691  0.56625917
   0.35273907  0.71982348  0.77318476
   0.11937832  0.81202830  0.51775542
   0.38293323  0.96824007  0.80388731
   0.44380485  0.91083924  0.62209997
   0.18923536  0.90215889  0.68370661
   0.28273741  0.66808956 -0.05486765
   0.02477521  0.64835898  0.91102933
   0.62273907  0.06105487  0.11426749
   0.84319658  0.18515389  0.23336080
   0.59518984  0.30635738  0.02132814
   0.85397026  0.43700798  0.36275881
   0.02826874  0.35308520  0.17146101
   0.76668202  0.40710463  0.15000028
   0.72631280  0.14729294  0.39865137
   0.47922853  0.13646051  0.42454120
   0.66475556  0.07229119  0.56953854
   0.82627822  0.21082279  0.79838100
   0.61925875  0.33120817  0.52136623
   0.87557064  0.46281130  0.84567262
   1.01065009  0.49552108  0.66033912
   0.74270834  0.40819384  0.67123661
   0.74208953  0.08525496  0.95314621
   0.47366620  0.09354870  0.95843641
   0.56673326  0.55386152  0.07759500
   0.88731356  0.66539868  0.28449956
   0.58747244  0.81462941  0.03077979
   0.87298403  0.94025436  0.31356860
   0.93902239  0.83667547  0.14453710
   0.68731696  0.83223368  0.20618151
   0.80625546  0.66851940  0.46111315
   0.56980247  0.55405855  0.37884802
   0.60053179  0.60337579  0.56604247
   0.79560606  0.71588978  0.80811528
   0.56778836  0.81491158  0.43728470
   0.90426777  0.94783995  0.83705916
   0.94208972  0.82829342  0.66031030
   0.68585290  0.90575644  0.71803607
   0.77930647  0.63241891  0.97927007
   0.54203271  0.63265645  0.89398654
   0.69468147  0.80158098  0.56469278
   0.47428016  0.83394947  0.41000307
   0.90822785  0.19780000  0.06541957
   0.81358773  0.43459600  0.31569141
   0.29183150  0.12486738  0.64605480
   0.25762629  0.77575707  0.76517514
   0.15999183  1.09351629  0.17357880
   0.20782212  1.11425177  0.04486813
   0.63104846  0.35916608  0.83405210
   0.93238504  0.43326799  0.63935704
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905630    0.438671   -0.196437
    -0.000000    9.922033   -0.059889
    -0.000000    0.000000   13.924868
   Si   O    H 
    32    64    10
Direct configuration=  2254
   0.14320856  0.18988176 -0.03384241
   0.34726293  0.08561190  0.36895333
   0.13917874  0.41519026  0.09812297
   0.37895974  0.33097442  0.23991548
   0.07816046  0.15332603  0.48814834
   0.39044052  0.11204567  0.86151519
   0.14228163  0.41378773  0.61744924
   0.37392774  0.36334304  0.75154618
   0.13743828  0.68248264 -0.01096657
   0.41434356  0.58218338  0.34575214
   0.09658072  0.88918829  0.13648896
   0.34225124  0.83768945  0.24609938
   0.18324426  0.65872462  0.49146191
   0.38178086  0.61576367  0.85951823
   0.06314408  0.90381130  0.60987955
   0.32849491  0.98606134  0.69320988
   0.61411707  0.14452678  1.01322789
   0.85669053  0.09873876  0.33780801
   0.61320896  0.40487506  0.11701698
   0.88575813  0.28501622  0.14965517
   0.61967697  0.17070823  0.48265056
   0.87318561  0.09728247  0.88212000
   0.60900192  0.44552367  0.60638248
   0.76970189  0.37032744  0.78403071
   0.62230313  0.65435754 -0.00567849
   0.90616191  0.59033650  0.38327169
   0.57958933  0.89793416  0.13017209
   0.84219746  0.81717354  0.23399187
   0.63798502  0.66257187  0.45879216
   0.87357730  0.61748232  0.88545478
   0.61267409  0.91943710  0.61167814
   0.83485918  0.86013517  0.75315966
   0.07921227  0.04291992  0.16975338
   0.34945061  0.17165751  0.26747492
   0.11867362  0.34911259 -0.00655499
   0.35268141  0.43477735  0.32429274
   0.54003144  0.34579555  0.21571357
   0.27763010  0.37126697  0.14954253
   0.21943470  0.10095768  0.44739898
  -0.02534408  0.15946952  0.40162397
   0.02386070  0.05557993  0.58049866
   0.47096189  0.22532353  0.78829226
   0.07479076  0.30398744  0.53730654
   0.34464561  0.46644834  0.83783194
   0.48131416  0.43295842  0.68066338
   0.22852456  0.33080491  0.70199206
   0.23955174  0.18436602 -0.12575820
   0.01270425  0.11451056  0.93557768
   0.12577775  0.57638904  0.07758892
   0.41159076  0.67363144  0.25181630
   0.13100496  0.84364066  0.02918374
   0.35703618  0.92248421  0.35416412
   0.41924372  0.92182996  0.16700348
   0.17878696  0.81839116  0.23225117
   0.31729982  0.66930181  0.42330997
   0.06299725  0.59317438  0.42325233
   0.22297058  0.54064030  0.56819142
   0.35400800  0.71883270  0.77350281
   0.12198086  0.81264568  0.51755652
   0.38232910  0.96980997  0.80389308
   0.44392322  0.91004378  0.62310056
   0.18961724  0.90301748  0.68363536
   0.28267051  0.66758789 -0.05568081
   0.02409164  0.64940824  0.91087187
   0.62107623  0.05954229  0.11387117
   0.84189813  0.18514740  0.23444798
   0.59622837  0.30588177  0.01979394
   0.85612445  0.43724153  0.36363525
   0.03150044  0.35137536  0.17167595
   0.76622187  0.40768747  0.15063078
   0.72476280  0.14623062  0.39883294
   0.47751397  0.13661903  0.42480928
   0.66533291  0.07174618  0.56894049
   0.82716494  0.20871341  0.79969175
   0.62037194  0.33144806  0.52119003
   0.87676682  0.46155420  0.84679922
   1.00915902  0.49534005  0.66037521
   0.74427876  0.40803341  0.67174533
   0.74272801  0.08521681  0.95493902
   0.47124575  0.09391014  0.95783230
   0.56534767  0.55464328  0.07836073
   0.88494433  0.66704940  0.28531167
   0.58962479  0.81546504  0.03198872
   0.87357176  0.94120150  0.31316893
   0.93994701  0.83794139  0.14404869
   0.68874347  0.83125194  0.20783696
   0.80620887  0.66904902  0.46137699
   0.56931002  0.55542078  0.37932340
   0.59931568  0.60396221  0.56719075
   0.79809401  0.71541400  0.80672232
   0.56685940  0.81311108  0.43769697
   0.90396165  0.94839719  0.83560453
   0.94131537  0.82937078  0.66046190
   0.68417417  0.90672048  0.71779675
   0.77948323  0.63147265  0.97939275
   0.54135699  0.63083723  0.89357667
   0.70081622  0.80236013  0.56363517
   0.47389559  0.83513575  0.41197273
   0.90542964  0.19754289  0.06379879
   0.77441247  0.43833317  0.29355841
   0.28912642  0.13067495  0.64737379
   0.25093610  0.78242468  0.76569982
   0.15394193  1.09100035  0.17376673
   0.21567454  1.11330592  0.04606671
   0.63670806  0.35842122  0.83274263
   0.93212241  0.43397920  0.63445499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906575    0.437642   -0.195123
    -0.000000    9.921028   -0.059185
    -0.000000    0.000000   13.925528
   Si   O    H 
    32    64    10
Direct configuration=  2255
   0.14282150  0.19093286 -0.03345995
   0.34681814  0.08687953  0.36872695
   0.13957144  0.41479974  0.09950867
   0.37903611  0.33074181  0.23941787
   0.07816472  0.15284006  0.48926487
   0.39031928  0.11146496  0.86085028
   0.14174109  0.41461916  0.61676294
   0.37322692  0.36401100  0.75126421
   0.13701110  0.68211133 -0.00997656
   0.41417720  0.58207967  0.34569983
   0.09533212  0.88804001  0.13753538
   0.34165610  0.83790858  0.24609096
   0.18414543  0.65857436  0.49054965
   0.38317840  0.61560534  0.85951238
   0.06352708  0.90267020  0.60961825
   0.32926723  0.98699068  0.69379282
   0.61301052  0.14476468  1.01336967
   0.85697003  0.09789942  0.33755166
   0.61371046  0.40478783  0.11647423
   0.88437546  0.28490173  0.14944360
   0.61844431  0.17030495  0.48326656
   0.87523985  0.09623149  0.88300999
   0.60833115  0.44566870  0.60581995
   0.76883599  0.37189590  0.78448498
   0.62220719  0.65378950 -0.00594282
   0.90636558  0.59022470  0.38372528
   0.57983796  0.89676490  0.13063138
   0.84221279  0.81590086  0.23453448
   0.63854577  0.66426403  0.45918149
   0.87451363  0.61762634  0.88485165
   0.61273118  0.91850153  0.61101556
   0.83499932  0.85963538  0.75359500
   0.08043860  0.04123017  0.16927273
   0.35071637  0.17211506  0.26742947
   0.11940587  0.34982762 -0.00721242
   0.35499331  0.43544066  0.32422535
   0.54122976  0.34571345  0.21466905
   0.27762267  0.37225258  0.14973970
   0.22110065  0.10036874  0.44745325
  -0.02457686  0.15738106  0.40238940
   0.02349473  0.05371667  0.58214303
   0.47132363  0.22530598  0.78809802
   0.07533843  0.30490457  0.53918730
   0.34361726  0.46482110  0.83830930
   0.48111115  0.43207696  0.68002896
   0.22707124  0.32953068  0.70161177
   0.23964906  0.18457651 -0.12520414
   0.01209274  0.11484730  0.93477197
   0.12505380  0.57729826  0.07858420
   0.41435694  0.67280475  0.25096540
   0.13026892  0.84419911  0.02797833
   0.35772980  0.92063517  0.35342160
   0.42108745  0.92119230  0.16661045
   0.17836854  0.81859443  0.23097007
   0.31590037  0.66830523  0.42296393
   0.06201867  0.59338890  0.42353338
   0.22260696  0.54174553  0.56995540
   0.35463155  0.71818347  0.77334141
   0.12441850  0.81349956  0.51737982
   0.38148630  0.97155754  0.80387307
   0.44488564  0.90909319  0.62389889
   0.19023142  0.90358220  0.68377318
   0.28226043  0.66714532 -0.05657035
   0.02371899  0.64991763  0.91069096
   0.61928710  0.05771286  0.11338918
   0.84053410  0.18494522  0.23549024
   0.59690474  0.30533593  0.01879456
   0.85781095  0.43768815  0.36395657
   0.03441016  0.34927896  0.17116182
   0.76588889  0.40735945  0.15046705
   0.72313319  0.14546171  0.39798416
   0.47633994  0.13724392  0.42537474
   0.66640476  0.07090489  0.56880688
   0.82837404  0.20742009  0.80073934
   0.62137260  0.33095258  0.52100256
   0.87749277  0.46051723  0.84783652
   1.00709924  0.49453413  0.66019993
   0.74517286  0.40700261  0.67270284
   0.74290224  0.08483547  0.95653170
   0.46944172  0.09471034  0.95783307
   0.56457864  0.55488910  0.07928287
   0.88260371  0.66891509  0.28521402
   0.59151840  0.81505236  0.03314293
   0.87394554  0.94148482  0.31256471
   0.94076893  0.83829502  0.14322374
   0.68936837  0.83013344  0.20918195
   0.80568903  0.67044419  0.46109865
   0.56942726  0.55723115  0.38035887
   0.59748762  0.60475989  0.56714858
   0.80019364  0.71519392  0.80492052
   0.56531961  0.81083847  0.43829163
   0.90436486  0.94888984  0.83372511
   0.94160959  0.82986268  0.66171014
   0.68208641  0.90816818  0.71797337
   0.78024033  0.63090190  0.97939096
   0.54040083  0.62882064  0.89347232
   0.70156635  0.80707050  0.56482035
   0.47415257  0.84012126  0.41382826
   0.90114734  0.19933157  0.06309339
   0.74577754  0.44001721  0.27847480
   0.28872883  0.13050730  0.65009100
   0.26026822  0.78116292  0.76644594
   0.16255677  1.09719995  0.17504020
   0.22349233  1.11473569  0.04528854
   0.64652694  0.35488399  0.83105869
   0.93670829  0.44030207  0.63421762
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907122    0.436572   -0.193855
    -0.000000    9.920220   -0.058631
    -0.000000    0.000000   13.926335
   Si   O    H 
    32    64    10
Direct configuration=  2256
   0.14310106  0.19173403 -0.03307680
   0.34634109  0.08715566  0.36907161
   0.13983024  0.41428784  0.10042470
   0.37905864  0.33044928  0.23850747
   0.07809314  0.15237444  0.49018883
   0.39021705  0.11147597  0.85968224
   0.14176346  0.41542620  0.61615543
   0.37321135  0.36439060  0.75110197
   0.13700755  0.68127819 -0.00925535
   0.41390553  0.58180209  0.34589749
   0.09339332  0.88679315  0.13870684
   0.34065702  0.83786527  0.24625369
   0.18426406  0.65820362  0.48998167
   0.38454673  0.61511827  0.85946391
   0.06375132  0.90117297  0.60893096
   0.33023893  0.98825372  0.69444546
   0.61159873  0.14509228  1.01336390
   0.85668913  0.09744894  0.33763093
   0.61397976  0.40457934  0.11592347
   0.88295541  0.28459342  0.14978007
   0.61695673  0.17002092  0.48343320
   0.87616069  0.09552580  0.88406497
   0.60773500  0.44644267  0.60473535
   0.76825480  0.37326142  0.78544133
   0.62189571  0.65313797 -0.00600388
   0.90644456  0.59017189  0.38395141
   0.57995078  0.89592927  0.13079455
   0.84219651  0.81524074  0.23522362
   0.63905182  0.66577916  0.45911693
   0.87497447  0.61757105  0.88384377
   0.61264484  0.91811182  0.61037427
   0.83507472  0.85867582  0.75378362
   0.08185738  0.04073174  0.16871152
   0.35106744  0.17232090  0.26760133
   0.11890394  0.35036915 -0.00775315
   0.35593326  0.43619132  0.32423705
   0.54161916  0.34616928  0.21347840
   0.27816443  0.37300044  0.14950862
   0.22302450  0.10012299  0.44674245
  -0.02415446  0.15494740  0.40288605
   0.02279148  0.05188134  0.58262446
   0.47075041  0.22551063  0.78825748
   0.07626878  0.30563591  0.54104500
   0.34266390  0.46255276  0.83877111
   0.48084032  0.43188070  0.67911050
   0.22598562  0.32839278  0.70085510
   0.23982006  0.18430998 -0.12435177
   0.01134042  0.11503675  0.93430094
   0.12508973  0.57838067  0.07928338
   0.41665606  0.67308770  0.24967306
   0.12900806  0.84532095  0.02644953
   0.35837029  0.91960870  0.35244354
   0.42376449  0.92124968  0.16643347
   0.17743989  0.81837081  0.22958002
   0.31505389  0.66699274  0.42282072
   0.06108524  0.59388524  0.42353857
   0.22188591  0.54313211  0.57207778
   0.35451074  0.71840971  0.77361987
   0.12762932  0.81454546  0.51729843
   0.38026767  0.97262230  0.80376707
   0.44568606  0.90876925  0.62523780
   0.19129600  0.90427125  0.68441972
   0.28257507  0.66707901 -0.05684028
   0.02437573  0.65058963  0.91052397
   0.61751207  0.05522710  0.11295870
   0.83913184  0.18449142  0.23652296
   0.59701481  0.30576297  0.01847550
   0.85829772  0.43764945  0.36371338
   0.03655081  0.34798623  0.17082147
   0.76669247  0.40645766  0.15028114
   0.72150162  0.14471157  0.39672402
   0.47484247  0.13752374  0.42567275
   0.66619747  0.07070535  0.56882531
   0.82971307  0.20656734  0.80238511
   0.62247416  0.33056140  0.52088752
   0.87784658  0.45917490  0.84916897
   1.00601181  0.49398911  0.66067953
   0.74583424  0.40664939  0.67414172
   0.74381267  0.08456362  0.95758388
   0.46862264  0.09498141  0.95785929
   0.56378344  0.55515695  0.07966754
   0.88035848  0.67145434  0.28497442
   0.59273922  0.81384505  0.03409453
   0.87432395  0.94030774  0.31217941
   0.94150905  0.83915385  0.14227777
   0.68930460  0.82901979  0.21039911
   0.80397074  0.67198284  0.46072824
   0.57071459  0.55837134  0.38107869
   0.59594974  0.60633443  0.56655604
   0.80141103  0.71538785  0.80340359
   0.56453111  0.80901657  0.43962629
   0.90514800  0.94895103  0.83169582
   0.94182495  0.83073010  0.66276333
   0.67934878  0.90990396  0.71825907
   0.78063305  0.63013806  0.97952013
   0.53896900  0.62726219  0.89330097
   0.69997815  0.81196124  0.56708231
   0.47286615  0.84358353  0.41569609
   0.89532165  0.20376001  0.06367837
   0.73088493  0.44062384  0.27198930
   0.29330831  0.12304559  0.65325412
   0.27761328  0.76703584  0.76562853
   0.16705523  1.09988568  0.17703505
   0.23204300  1.11337721  0.04411748
   0.65341731  0.35361310  0.83271363
   0.93586671  0.44527870  0.63120811
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907184    0.435753   -0.193010
    -0.000000    9.919436   -0.057853
    -0.000000    0.000000   13.926934
   Si   O    H 
    32    64    10
Direct configuration=  2257
   0.14400621  0.19195447 -0.03309264
   0.34594764  0.08794727  0.36965614
   0.13977067  0.41426103  0.10121488
   0.37892293  0.33017643  0.23772299
   0.07779595  0.15213819  0.49122912
   0.39008108  0.11223335  0.85832757
   0.14233850  0.41670819  0.61545483
   0.37382457  0.36434561  0.75039642
   0.13710694  0.68073519 -0.00874290
   0.41332533  0.58104897  0.34603892
   0.09124759  0.88595622  0.13919680
   0.33968006  0.83782881  0.24665931
   0.18409283  0.65779507  0.48947033
   0.38599701  0.61566552  0.85938465
   0.06412386  0.89915264  0.60830021
   0.33058138  0.98871874  0.69469446
   0.61035007  0.14469652  1.01341832
   0.85588705  0.09733361  0.33777062
   0.61347588  0.40380526  0.11550344
   0.88208058  0.28429851  0.15035344
   0.61615546  0.17012620  0.48341840
   0.87532840  0.09450449  0.88441128
   0.60780934  0.44726470  0.60418804
   0.76892471  0.37405969  0.78659343
   0.62144533  0.65350373 -0.00621907
   0.90665101  0.58972324  0.38389000
   0.58073769  0.89483795  0.13034926
   0.84269609  0.81458310  0.23587330
   0.63964472  0.66691116  0.45908027
   0.87497435  0.61746263  0.88268749
   0.61235316  0.91760644  0.60982023
   0.83477573  0.85777515  0.75378031
   0.08404438  0.04114196  0.16822972
   0.35103524  0.17233550  0.26814370
   0.11807826  0.35144212 -0.00765209
   0.35565987  0.43663367  0.32469370
   0.54205518  0.34656125  0.21204945
   0.27921911  0.37400006  0.14955062
   0.22521080  0.09982026  0.44653421
  -0.02392398  0.15294354  0.40350638
   0.02259604  0.05046560  0.58223268
   0.46990974  0.22550939  0.78956230
   0.07788786  0.30614940  0.54315883
   0.34145432  0.46055237  0.83916244
   0.48009787  0.43178125  0.67801410
   0.22573698  0.32620737  0.69971976
   0.24001132  0.18313406 -0.12309927
   0.01110944  0.11538080  0.93397697
   0.12440380  0.57941498  0.08012657
   0.41805744  0.67413674  0.24806363
   0.12829994  0.84631122  0.02584754
   0.35863431  0.91952535  0.35118753
   0.42654080  0.92070667  0.16633878
   0.17703390  0.81810352  0.22804249
   0.31417530  0.66533159  0.42238565
   0.06044903  0.59468854  0.42366140
   0.22055020  0.54522078  0.57428016
   0.35475072  0.71817527  0.77445820
   0.13030290  0.81509440  0.51684776
   0.37954515  0.97347580  0.80367082
   0.44659295  0.90725247  0.62656196
   0.19282600  0.90469637  0.68555952
   0.28309673  0.66759834 -0.05673754
   0.02507745  0.65092182  0.90998098
   0.61668588  0.05266676  0.11274715
   0.83761713  0.18324990  0.23768742
   0.59667037  0.30729276  0.01901741
   0.85816518  0.43676998  0.36346617
   0.03878513  0.34665570  0.17110027
   0.76761457  0.40578658  0.15050891
   0.71932239  0.14363450  0.39590684
   0.47381658  0.13765228  0.42634842
   0.66564978  0.06969757  0.56936594
   0.83032562  0.20594531  0.80358966
   0.62362087  0.32989490  0.52023481
   0.87816315  0.45827697  0.85064269
   1.00592273  0.49454940  0.66143388
   0.74589354  0.40555721  0.67543832
   0.74500099  0.08419814  0.95889098
   0.46846738  0.09494564  0.95813763
   0.56383112  0.55554872  0.07972847
   0.87864352  0.67344090  0.28426186
   0.59362260  0.81229028  0.03427779
   0.87389984  0.93886057  0.31241756
   0.94157799  0.84051577  0.14101767
   0.68824940  0.82819311  0.21077740
   0.80126950  0.67327548  0.46031518
   0.57181068  0.55930415  0.38140447
   0.59567015  0.60735103  0.56572399
   0.80178188  0.71584119  0.80182168
   0.56358479  0.80782937  0.44046222
   0.90651457  0.94984195  0.83028075
   0.94201534  0.83168838  0.66370484
   0.67681808  0.91176431  0.71907558
   0.78096224  0.63001618  0.97973926
   0.53845320  0.62497016  0.89354220
   0.69694243  0.81755478  0.56860607
   0.47544839  0.84824698  0.41682310
   0.88873849  0.20588084  0.06148042
   0.73031455  0.43842230  0.27168322
   0.29984591  0.11750568  0.65580579
   0.27560065  0.76686051  0.76251290
   0.16526045  1.09099862  0.17541491
   0.23525247  1.11573374  0.04246520
   0.65468973  0.35373907  0.83970245
   0.92587401  0.45167468  0.62654020
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907349    0.434855   -0.192402
    -0.000000    9.918210   -0.056172
    -0.000000    0.000000   13.927513
   Si   O    H 
    32    64    10
Direct configuration=  2258
   0.14495750  0.19238695 -0.03343879
   0.34592809  0.08879115  0.37013748
   0.14020967  0.41498764  0.10155751
   0.37871347  0.32935966  0.23649314
   0.07717753  0.15200450  0.49264554
   0.39047169  0.11297124  0.85756504
   0.14264193  0.41716583  0.61498548
   0.37465072  0.36419041  0.74987470
   0.13742911  0.68054883 -0.00829505
   0.41329166  0.58035513  0.34645651
   0.08986128  0.88470488  0.13937660
   0.33927644  0.83715120  0.24709750
   0.18363767  0.65754041  0.48887745
   0.38679270  0.61640203  0.85941378
   0.06474040  0.89716003  0.60813268
   0.33109951  0.98925267  0.69429750
   0.60925373  0.14401788  1.01328123
   0.85499513  0.09767129  0.33786912
   0.61298304  0.40297817  0.11487908
   0.88138907  0.28381295  0.15152393
   0.61510970  0.16988874  0.48337734
   0.87367577  0.09391764  0.88430788
   0.60773211  0.44793586  0.60339003
   0.77010419  0.37425446  0.78810312
   0.62043504  0.65411829 -0.00672914
   0.90639719  0.58888039  0.38336304
   0.58189339  0.89387958  0.13025961
   0.84357969  0.81384643  0.23653070
   0.64007274  0.66776551  0.45909772
   0.87479926  0.61775471  0.88144450
   0.61179569  0.91670541  0.60966841
   0.83425203  0.85661133  0.75330085
   0.08614116  0.04222344  0.16743645
   0.35023688  0.17209060  0.26821867
   0.11792706  0.35234303 -0.00729775
   0.35599061  0.43745711  0.32502103
   0.54140630  0.34711082  0.21072431
   0.28054458  0.37476617  0.14949392
   0.22686719  0.09954741  0.44660888
  -0.02445062  0.15072639  0.40456304
   0.02264216  0.05022633  0.58145432
   0.46909649  0.22587234  0.79110572
   0.08010346  0.30659117  0.54454194
   0.34069581  0.45942501  0.83904992
   0.47973953  0.43144079  0.67675008
   0.22568882  0.32511667  0.69873888
   0.24075048  0.18151364 -0.12209612
   0.01089799  0.11512388  0.93515498
   0.12317755  0.58061958  0.08122700
   0.41960091  0.67582016  0.24729376
   0.12781241  0.84741883  0.02599633
   0.35879604  0.91954877  0.34955271
   0.42879720  0.91974221  0.16626618
   0.17717624  0.81756149  0.22639055
   0.31391638  0.66316103  0.42215187
   0.06018020  0.59541306  0.42407188
   0.21903745  0.54756652  0.57582922
   0.35594894  0.71740448  0.77536224
   0.13316225  0.81589597  0.51652243
   0.38032165  0.97435515  0.80409040
   0.44754079  0.90639656  0.62747288
   0.19426975  0.90444399  0.68706529
   0.28367838  0.66807583 -0.05673180
   0.02514601  0.65131573  0.90994008
   0.61606873  0.05054081  0.11233053
   0.83662531  0.18199789  0.23914554
   0.59674946  0.30910614  0.01936458
   0.85767981  0.43583445  0.36254033
   0.04028646  0.34459078  0.17098820
   0.76873245  0.40570284  0.15071441
   0.71696964  0.14212715  0.39464571
   0.47298970  0.13806189  0.42774435
   0.66505907  0.06788500  0.56982957
   0.83160366  0.20593407  0.80512248
   0.62490461  0.32940907  0.51931010
   0.87798732  0.45772092  0.85182330
   1.00585320  0.49500176  0.66155566
   0.74557833  0.40424037  0.67634808
   0.74593556  0.08433556  0.95994557
   0.46783846  0.09567566  0.95848856
   0.56348761  0.55603660  0.07949396
   0.87784836  0.67488910  0.28353244
   0.59454334  0.80984577  0.03386318
   0.87371680  0.93726442  0.31239212
   0.94063028  0.84079187  0.13980299
   0.68648207  0.82815421  0.21107982
   0.79880655  0.67524992  0.46035275
   0.57320498  0.56060210  0.38181878
   0.59536607  0.60744844  0.56509897
   0.80255766  0.71720442  0.80106731
   0.56288292  0.80838688  0.44107480
   0.90815039  0.95120349  0.82882890
   0.94210571  0.83244118  0.66411359
   0.67521864  0.91295882  0.71936445
   0.78133733  0.62967521  0.98004484
   0.53849168  0.62274819  0.89400465
   0.69550281  0.82032397  0.56626710
   0.47637184  0.85118822  0.41625881
   0.88271932  0.21234337  0.05713033
   0.73872710  0.43415075  0.27843224
   0.30522866  0.11492037  0.65761328
   0.26342720  0.76894682  0.75739907
   0.16444988  1.08386065  0.17579802
   0.23519289  1.12408040  0.03848154
   0.65554129  0.35729695  0.84972716
   0.92343302  0.46141086  0.62541278
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907110    0.433939   -0.191568
    -0.000000    9.916816   -0.054597
    -0.000000    0.000000   13.927881
   Si   O    H 
    32    64    10
Direct configuration=  2259
   0.14536348  0.19269077 -0.03382071
   0.34546349  0.08909253  0.37040502
   0.14003324  0.41593271  0.10184649
   0.37900466  0.32891701  0.23513803
   0.07680684  0.15212393  0.49413873
   0.39051465  0.11394490  0.85689490
   0.14285093  0.41747434  0.61438376
   0.37613969  0.36383768  0.74955696
   0.13835846  0.68058302 -0.00799914
   0.41377305  0.58017894  0.34682809
   0.08860674  0.88400526  0.13944626
   0.33948982  0.83625057  0.24675723
   0.18303778  0.65730552  0.48802116
   0.38741449  0.61609359  0.85950066
   0.06564823  0.89543899  0.60834686
   0.33227931  0.98909657  0.69359961
   0.60823594  0.14375822  1.01290883
   0.85387589  0.09762835  0.33815479
   0.61234981  0.40154897  0.11380803
   0.88166842  0.28284286  0.15269749
   0.61401504  0.16989695  0.48320468
   0.87172288  0.09329484  0.88383443
   0.60771825  0.44881556  0.60282986
   0.77162102  0.37446109  0.78936180
   0.61942017  0.65540040 -0.00745375
   0.90663319  0.58870936  0.38331596
   0.58361462  0.89298984  0.13018839
   0.84442866  0.81319653  0.23703335
   0.64016389  0.66889685  0.45938793
   0.87403211  0.61863881  0.88028324
   0.61142670  0.91577207  0.60939457
   0.83369351  0.85604024  0.75239312
   0.08779631  0.04284695  0.16638162
   0.34900279  0.17122996  0.26824789
   0.11801318  0.35253255 -0.00661064
   0.35654203  0.43780707  0.32527024
   0.53995675  0.34765290  0.20895949
   0.28119526  0.37487341  0.14901912
   0.22775321  0.10056225  0.44674534
  -0.02490627  0.14916942  0.40586085
   0.02265745  0.05050270  0.58090845
   0.46742866  0.22697909  0.79248737
   0.08183518  0.30709628  0.54524532
   0.33998391  0.45894970  0.83917962
   0.47919302  0.43085483  0.67525965
   0.22534147  0.32477114  0.69755197
   0.24192897  0.18040634 -0.12166756
   0.01191014  0.11546107  0.93687283
   0.12199598  0.58179880  0.08283276
   0.42071995  0.67814998  0.24663943
   0.12822097  0.84867024  0.02645162
   0.35838682  0.92018681  0.34789046
   0.43014134  0.91847607  0.16589124
   0.17870706  0.81634819  0.22515349
   0.31463990  0.66047597  0.42181906
   0.06020199  0.59499024  0.42424330
   0.21745519  0.55029079  0.57692752
   0.35648280  0.71674153  0.77571288
   0.13621693  0.81724139  0.51681080
   0.38080968  0.97480476  0.80395621
   0.44857743  0.90658020  0.62822122
   0.19565779  0.90413874  0.68915878
   0.28381500  0.66838650 -0.05694508
   0.02583057  0.65185487  0.90981900
   0.61584198  0.04819803  0.11189196
   0.83582447  0.18179623  0.24078940
   0.59759636  0.31085440  0.01955867
   0.85736916  0.43517263  0.36091091
   0.04094307  0.34251292  0.17053093
   0.77079473  0.40669124  0.15095221
   0.71435370  0.14051575  0.39328169
   0.47257382  0.13910020  0.42938561
   0.66469161  0.06569053  0.57045888
   0.83255504  0.20626245  0.80609189
   0.62561312  0.32892115  0.51836638
   0.87758136  0.45857498  0.85310272
   1.00613923  0.49555364  0.66159685
   0.74512935  0.40376821  0.67666119
   0.74717879  0.08363320  0.96115994
   0.46717423  0.09676853  0.95860253
   0.56348267  0.55605352  0.07917638
   0.87747446  0.67496609  0.28256088
   0.59504894  0.80809006  0.03326675
   0.87275123  0.93654030  0.31207005
   0.93858137  0.83999772  0.13828843
   0.68477777  0.82743888  0.21166851
   0.79797341  0.67650647  0.46030787
   0.57467479  0.56196585  0.38226521
   0.59531129  0.60754190  0.56478542
   0.80357622  0.71868672  0.80043020
   0.56250508  0.80980778  0.44144103
   0.91020042  0.95276029  0.82769546
   0.94160552  0.83241496  0.66429999
   0.67418708  0.91390243  0.71947737
   0.78155286  0.62942375  0.98103782
   0.53911799  0.62061239  0.89435650
   0.69672220  0.81876336  0.56219902
   0.47753334  0.85161619  0.41506101
   0.87493081  0.21703404  0.05544292
   0.75826595  0.43039021  0.29073508
   0.30876714  0.12007655  0.65667633
   0.26176656  0.76321760  0.75432459
   0.17252077  1.08683172  0.17867871
   0.23337521  1.13015257  0.03558403
   0.65327634  0.36104250  0.85679339
   0.92880486  0.47670043  0.62731986
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906558    0.433350   -0.190667
    -0.000000    9.915167   -0.053325
    -0.000000    0.000000   13.928723
   Si   O    H 
    32    64    10
Direct configuration=  2260
   0.14545432  0.19352647 -0.03434889
   0.34497638  0.08917376  0.37068869
   0.13983591  0.41653573  0.10202126
   0.37973711  0.32871484  0.23370371
   0.07657904  0.15284100  0.49561534
   0.38973585  0.11486113  0.85609410
   0.14256194  0.41821491  0.61441964
   0.37717066  0.36373144  0.74932886
   0.13989826  0.68150713 -0.00786313
   0.41410048  0.58050716  0.34734888
   0.08769749  0.88337226  0.13872702
   0.33994727  0.83524096  0.24659806
   0.18255481  0.65667962  0.48697084
   0.38704411  0.61554187  0.85973130
   0.06680316  0.89356957  0.60872812
   0.33366014  0.98891068  0.69290753
   0.60745476  0.14405500  1.01223484
   0.85196567  0.09769907  0.33867844
   0.61202317  0.40090083  0.11332186
   0.88232105  0.28179588  0.15367124
   0.61262751  0.17005850  0.48292035
   0.87043507  0.09270404  0.88339164
   0.60783790  0.44980991  0.60230323
   0.77325726  0.37420439  0.79093914
   0.61868508  0.65680290 -0.00798283
   0.90680609  0.58868654  0.38279993
   0.58495838  0.89239048  0.12998969
   0.84517055  0.81313676  0.23716045
   0.64000397  0.66975443  0.45933215
   0.87322607  0.61989236  0.87902582
   0.61112716  0.91494021  0.60923323
   0.83227405  0.85597001  0.75127466
   0.08852775  0.04407366  0.16555296
   0.34730403  0.17149273  0.26805702
   0.11820268  0.35304558 -0.00620100
   0.35603180  0.43795588  0.32551673
   0.53831777  0.34805300  0.20708653
   0.28219446  0.37496773  0.14861212
   0.22795565  0.10115918  0.44675367
  -0.02556466  0.14812780  0.40695383
   0.02312352  0.05102096  0.58024886
   0.46590850  0.22848510  0.79316431
   0.08236318  0.30681874  0.54533229
   0.33897039  0.45905581  0.83924757
   0.47862648  0.43039474  0.67368604
   0.22579127  0.32566659  0.69659316
   0.24323346  0.17928505 -0.12171186
   0.01252496  0.11631113  0.93903185
   0.12052489  0.58266619  0.08462694
   0.42071077  0.67992872  0.24634403
   0.12864909  0.84930314  0.02701892
   0.35727612  0.92082894  0.34612508
   0.43071375  0.91585984  0.16585889
   0.18049102  0.81550384  0.22380585
   0.31596768  0.65952765  0.42152413
   0.06037892  0.59461215  0.42415044
   0.21612860  0.55229476  0.57752890
   0.35643917  0.71704844  0.77552187
   0.13889678  0.81784926  0.51728743
   0.38072385  0.97546201  0.80297563
   0.45001433  0.90737426  0.62888985
   0.19713392  0.90379134  0.69051075
   0.28338819  0.66919936 -0.05727394
   0.02584796  0.65200232  0.90993917
   0.61611937  0.04612670  0.11183263
   0.83580867  0.18131347  0.24227921
   0.59812796  0.31267008  0.01967873
   0.85708601  0.43498815  0.35923869
   0.04142662  0.34056388  0.16994265
   0.77173067  0.40753662  0.15134231
   0.71256316  0.13951019  0.39187688
   0.47173185  0.13987290  0.43119973
   0.66400530  0.06321316  0.57049123
   0.83284458  0.20738631  0.80739326
   0.62637985  0.32802183  0.51742867
   0.87740761  0.45839121  0.85379554
   1.00752054  0.49594007  0.66250200
   0.74437145  0.40380020  0.67674493
   0.74789985  0.08217521  0.96240141
   0.46669935  0.09744266  0.95852533
   0.56315925  0.55590882  0.07936822
   0.87661435  0.67459524  0.28173936
   0.59536556  0.80647018  0.03278692
   0.87269652  0.93587219  0.31212539
   0.93697094  0.83938384  0.13723974
   0.68336551  0.82685055  0.21192343
   0.79849276  0.67737192  0.46049168
   0.57681669  0.56345485  0.38255466
   0.59540703  0.60770302  0.56450183
   0.80457338  0.71957763  0.80015140
   0.56129328  0.81205968  0.44164752
   0.91215437  0.95426011  0.82718785
   0.94115373  0.83182813  0.66413426
   0.67395730  0.91593717  0.72095038
   0.78208321  0.62970329  0.98120063
   0.53994856  0.61884635  0.89486826
   0.69929000  0.81353446  0.55954030
   0.47841521  0.85312593  0.41596840
   0.86842880  0.22150260  0.05876843
   0.78563806  0.42804189  0.30992069
   0.31054189  0.13358803  0.65433499
   0.26891995  0.75282388  0.75361495
   0.18237955  1.09074934  0.17844773
   0.22639690  1.13317319  0.03576958
   0.65318047  0.36484333  0.85848594
   0.92470538  0.48727720  0.62829157
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906046    0.432711   -0.189387
    -0.000000    9.913688   -0.052235
    -0.000000    0.000000   13.929401
   Si   O    H 
    32    64    10
Direct configuration=  2261
   0.14518184  0.19426159 -0.03472473
   0.34476426  0.08887361  0.37044368
   0.13947576  0.41746819  0.10202137
   0.38080975  0.32875539  0.23257786
   0.07686372  0.15400490  0.49664424
   0.38923136  0.11710817  0.85603615
   0.14266198  0.41840285  0.61474302
   0.37751824  0.36376740  0.74871826
   0.14124659  0.68310878 -0.00775518
   0.41502181  0.58107345  0.34790753
   0.08723582  0.88316732  0.13846202
   0.34021849  0.83406040  0.24656161
   0.18214620  0.65636158  0.48618175
   0.38662529  0.61503531  0.86008192
   0.06843894  0.89219158  0.60910087
   0.33411819  0.98874819  0.69189292
   0.60664068  0.14451721  1.01109197
   0.85035272  0.09794022  0.33875635
   0.61139049  0.40070640  0.11297001
   0.88275327  0.28018712  0.15501561
   0.61142570  0.16970431  0.48260276
   0.86910721  0.09161252  0.88298461
   0.60860354  0.45057907  0.60178295
   0.77478485  0.37361050  0.79268026
   0.61855558  0.65756489 -0.00878029
   0.90661674  0.58836680  0.38214788
   0.58602980  0.89180305  0.12986634
   0.84533685  0.81337929  0.23708718
   0.63934526  0.67055019  0.45956369
   0.87228930  0.62104509  0.87760121
   0.61093382  0.91423164  0.60904494
   0.83131242  0.85601224  0.75007147
   0.08912355  0.04504369  0.16514073
   0.34515578  0.17215952  0.26764420
   0.11807844  0.35391580 -0.00559124
   0.35546557  0.43796669  0.32571300
   0.53699866  0.34899643  0.20522433
   0.28382222  0.37559770  0.14866708
   0.22807260  0.10175841  0.44720444
  -0.02617141  0.14745426  0.40779925
   0.02358944  0.05150899  0.57991721
   0.46485761  0.22989738  0.79361058
   0.08315187  0.30552022  0.54473027
   0.33859952  0.45966992  0.83948087
   0.47760491  0.43060945  0.67252042
   0.22621260  0.32685014  0.69583621
   0.24431754  0.17802645 -0.12225114
   0.01330465  0.11762281  0.94112526
   0.11943454  0.58385145  0.08658438
   0.41990018  0.68161725  0.24614977
   0.12863378  0.84965868  0.02720077
   0.35651009  0.92065997  0.34490413
   0.43078123  0.91318981  0.16625741
   0.18191858  0.81379996  0.22217080
   0.31633920  0.65875620  0.42109314
   0.06002910  0.59361147  0.42387853
   0.21492256  0.55440828  0.57794160
   0.35679737  0.71800134  0.77493156
   0.14131620  0.81781409  0.51698498
   0.37977688  0.97471672  0.80188845
   0.45132032  0.90845491  0.62939886
   0.19793005  0.90293315  0.69217060
   0.28314678  0.66883791 -0.05777273
   0.02577643  0.65326106  0.90940668
   0.61712571  0.04392384  0.11172703
   0.83528748  0.18040558  0.24303780
   0.59821938  0.31361071  0.01957942
   0.85718388  0.43458960  0.35796048
   0.04160986  0.33814184  0.16909611
   0.77194492  0.40893488  0.15113031
   0.71059148  0.13895332  0.39087607
   0.46980425  0.14069161  0.43259775
   0.66397325  0.06062954  0.57001627
   0.83353776  0.20903548  0.80786309
   0.62786460  0.32789716  0.51674308
   0.87752055  0.45903167  0.85419326
   1.00905276  0.49635386  0.66319568
   0.74337143  0.40359688  0.67700388
   0.74902932  0.08072869  0.96347199
   0.46661826  0.09787014  0.95884814
   0.56331034  0.55564994  0.07935722
   0.87630245  0.67362115  0.28080674
   0.59572985  0.80515196  0.03237473
   0.87223789  0.93553396  0.31212503
   0.93429724  0.83889668  0.13667152
   0.68172095  0.82609172  0.21224333
   0.79887364  0.67750265  0.46039344
   0.57823449  0.56495275  0.38288182
   0.59627392  0.60757552  0.56388473
   0.80494474  0.71989263  0.80058268
   0.56055184  0.81419477  0.44110524
   0.91406249  0.95466568  0.82686321
   0.94186730  0.83103892  0.66395842
   0.67398752  0.91723457  0.72215962
   0.78330017  0.62999073  0.98130560
   0.54125942  0.61787195  0.89524500
   0.70365392  0.80990127  0.55830175
   0.47380609  0.85475292  0.41626626
   0.86305444  0.22469692  0.06084651
   0.80857782  0.42577889  0.32770382
   0.31067984  0.14137181  0.65298691
   0.27553924  0.74797056  0.75388615
   0.18114160  1.08714977  0.17841398
   0.22399098  1.12939836  0.04178348
   0.65543112  0.37334788  0.85691163
   0.91886710  0.49546390  0.62638616
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905067    0.431837   -0.188174
    -0.000000    9.912273   -0.050798
    -0.000000    0.000000   13.930318
   Si   O    H 
    32    64    10
Direct configuration=  2262
   0.14481070  0.19520444 -0.03533233
   0.34445920  0.08861619  0.37009024
   0.13899256  0.41851057  0.10151535
   0.38183135  0.32870673  0.23183226
   0.07726496  0.15528841  0.49761768
   0.38964425  0.11900525  0.85619429
   0.14324558  0.41892829  0.61481206
   0.37765937  0.36380407  0.74826840
   0.14196561  0.68472763 -0.00752917
   0.41654595  0.58169845  0.34874940
   0.08669896  0.88364094  0.13791229
   0.34105563  0.83279615  0.24626555
   0.18137742  0.65632652  0.48580742
   0.38579402  0.61424794  0.86067608
   0.07019621  0.89116711  0.60938224
   0.33417720  0.98902653  0.69057652
   0.60605191  0.14475175  1.01027352
   0.84919694  0.09838889  0.33902254
   0.61134100  0.40126161  0.11216321
   0.88316903  0.27886763  0.15594979
   0.61132286  0.16912447  0.48236921
   0.86792032  0.09081228  0.88346327
   0.60931462  0.45101195  0.60116570
   0.77585270  0.37289025  0.79410651
   0.61879427  0.65843245 -0.00883502
   0.90623923  0.58800031  0.38175682
   0.58618356  0.89095562  0.13015842
   0.84502496  0.81336327  0.23678612
   0.63815505  0.67159990  0.46005396
   0.87136334  0.62169044  0.87661886
   0.61080616  0.91405846  0.60869406
   0.82957877  0.85719976  0.74880728
   0.08983401  0.04623581  0.16454495
   0.34341547  0.17332964  0.26726148
   0.11704207  0.35436023 -0.00493200
   0.35397206  0.43701864  0.32560991
   0.53533719  0.34954953  0.20316384
   0.28475004  0.37649545  0.14877442
   0.22748567  0.10204469  0.44754599
  -0.02714514  0.14688113  0.40796497
   0.02401514  0.05218116  0.57954429
   0.46421722  0.23124351  0.79376285
   0.08441341  0.30418045  0.54392050
   0.33843267  0.46097763  0.84012306
   0.47582160  0.43035997  0.67073465
   0.22627996  0.32879136  0.69560328
   0.24460669  0.17743373 -0.12333663
   0.01269587  0.11792687  0.94274965
   0.11885542  0.58503785  0.08794495
   0.41782331  0.68259336  0.24609624
   0.12843838  0.84994596  0.02772364
   0.35604322  0.92020210  0.34398925
   0.43098990  0.91064667  0.16749248
   0.18327726  0.81209864  0.22089569
   0.31690663  0.65779244  0.42126925
   0.06001061  0.59290572  0.42386551
   0.21429824  0.55659686  0.57847931
   0.35759045  0.71806144  0.77488274
   0.14282894  0.81668684  0.51672836
   0.37976689  0.97501093  0.80071205
   0.45264564  0.91000480  0.62923619
   0.19877180  0.90224079  0.69378917
   0.28285794  0.66833995 -0.05750676
   0.02536937  0.65448002  0.90880159
   0.61700685  0.04274731  0.11155395
   0.83470708  0.18005053  0.24337046
   0.59806998  0.31390218  0.01967994
   0.86077389  0.43555847  0.35988660
   0.04181553  0.33586734  0.16819385
   0.77224989  0.41058467  0.15142039
   0.70826229  0.13865975  0.38999722
   0.46799138  0.14192061  0.43382881
   0.66252454  0.05782954  0.56940428
   0.83398123  0.21099779  0.80761470
   0.62912144  0.32771105  0.51601747
   0.87844312  0.45940937  0.85475344
   1.00990187  0.49711464  0.66349588
   0.74307221  0.40365931  0.67705480
   0.75056119  0.07871498  0.96373169
   0.46695544  0.09954904  0.95939141
   0.56330937  0.55456994  0.07936917
   0.87633156  0.67182147  0.28005173
   0.59658695  0.80473442  0.03174118
   0.87279328  0.93530197  0.31260322
   0.93079987  0.83838396  0.13649197
   0.68037981  0.82550149  0.21232058
   0.79991293  0.67721460  0.45996899
   0.57951836  0.56661615  0.38232466
   0.59656479  0.60787160  0.56382133
   0.80555245  0.71923672  0.80095923
   0.55976113  0.81678942  0.44081974
   0.91488964  0.95449448  0.82623666
   0.94242006  0.83076796  0.66359496
   0.67414121  0.91853828  0.72338078
   0.78469631  0.63098788  0.98124108
   0.54309415  0.61708739  0.89579639
   0.70560042  0.81167897  0.56172395
   0.47256695  0.85435856  0.41729024
   0.85869623  0.22769970  0.06284110
   0.76256015  0.40915380  0.30121736
   0.31361937  0.13777572  0.65097769
   0.26235514  0.75086073  0.74889946
   0.17221529  1.08116575  0.17444843
   0.22246684  1.12288974  0.04936713
   0.65685230  0.37938792  0.85133639
   0.92188104  0.49975998  0.62735603
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904597    0.431661   -0.187092
    -0.000000    9.910869   -0.049219
    -0.000000    0.000000   13.930843
   Si   O    H 
    32    64    10
Direct configuration=  2263
   0.14494890  0.19622753 -0.03560649
   0.34380369  0.08857150  0.36969943
   0.13781125  0.41927688  0.10102332
   0.38299642  0.32907052  0.23105738
   0.07738177  0.15590536  0.49815779
   0.39009997  0.12062410  0.85654027
   0.14277828  0.41971511  0.61479388
   0.37748983  0.36465462  0.74794701
   0.14236128  0.68602775 -0.00694783
   0.41813033  0.58245479  0.34943996
   0.08627073  0.88453602  0.13706668
   0.34228685  0.83234625  0.24600285
   0.18048274  0.65608541  0.48547366
   0.38502457  0.61404767  0.86090125
   0.07143868  0.89050753  0.60940097
   0.33413177  0.98885373  0.68895580
   0.60529364  0.14411726  1.00960909
   0.84805069  0.09922483  0.33930229
   0.61154389  0.40256765  0.11143027
   0.88363800  0.27753490  0.15644579
   0.61119310  0.16834297  0.48236808
   0.86691558  0.08999163  0.88369115
   0.61014149  0.45150692  0.60095582
   0.77698181  0.37184458  0.79543140
   0.61955025  0.65879659 -0.00826059
   0.90556278  0.58775803  0.38118809
   0.58538176  0.89016046  0.13013663
   0.84396365  0.81402057  0.23630980
   0.63619766  0.67274448  0.46033185
   0.87086241  0.62234703  0.87616907
   0.61114557  0.91418962  0.60856472
   0.82833936  0.85869359  0.74753347
   0.08907078  0.04726272  0.16425060
   0.34188155  0.17420640  0.26723557
   0.11582939  0.35403477 -0.00485758
   0.35263425  0.43541149  0.32581157
   0.53297995  0.34867816  0.20174903
   0.28670822  0.37765131  0.14850599
   0.22590895  0.10218129  0.44836969
  -0.02911549  0.14690427  0.40812375
   0.02466577  0.05358429  0.57918075
   0.46347926  0.23241204  0.79407057
   0.08536884  0.30296533  0.54277683
   0.33833066  0.46140903  0.84028572
   0.47505977  0.42991999  0.66897949
   0.22788415  0.33029274  0.69537965
   0.24494598  0.17635321 -0.12396948
   0.01115449  0.11819972  0.94404095
   0.11886463  0.58578028  0.08886906
   0.41622808  0.68376468  0.24664395
   0.12823258  0.85018608  0.02805113
   0.35508106  0.92029875  0.34305069
   0.43123682  0.90786933  0.16857844
   0.18411584  0.81045089  0.21981793
   0.31739375  0.65711685  0.42184630
   0.05980156  0.59164834  0.42329151
   0.21358961  0.55855816  0.57884695
   0.35731151  0.71778022  0.77457538
   0.14404986  0.81540813  0.51668627
   0.38056202  0.97562489  0.79959551
   0.45418663  0.91168825  0.62882751
   0.19860560  0.90150408  0.69540048
   0.28329239  0.66752297 -0.05704673
   0.02559988  0.65579087  0.90795066
   0.61746539  0.04279979  0.11112703
   0.83494967  0.18027808  0.24315977
   0.59772059  0.31367612  0.01975536
   0.86385210  0.43582951  0.36160393
   0.04094582  0.33380529  0.16691432
   0.77254928  0.41139550  0.15174038
   0.70608111  0.13840884  0.38954879
   0.46629716  0.14328366  0.43484523
   0.66074067  0.05576748  0.56863673
   0.83434489  0.21316323  0.80704999
   0.62981368  0.32794050  0.51553642
   0.88056224  0.45984823  0.85498295
   1.01045383  0.49739727  0.66351147
   0.74297156  0.40463125  0.67606347
   0.75049892  0.07728045  0.96376915
   0.46755172  0.10073751  0.95984284
   0.56288400  0.55348829  0.07903487
   0.87598713  0.66961498  0.27967127
   0.59647393  0.80430225  0.03069452
   0.87356539  0.93459880  0.31323719
   0.92786322  0.83763971  0.13654284
   0.67968761  0.82485290  0.21299159
   0.80186148  0.67698561  0.45917986
   0.58034827  0.56822552  0.38179193
   0.59786131  0.60733787  0.56391918
   0.80614274  0.71865607  0.80073126
   0.55958011  0.81879826  0.44073041
   0.91601159  0.95367580  0.82586545
   0.94251948  0.83014233  0.66357440
   0.67422320  0.92007539  0.72435309
   0.78483378  0.63239665  0.98160712
   0.54505347  0.61657152  0.89596439
   0.70700515  0.81756359  0.56840630
   0.47125860  0.85452962  0.41913094
   0.85486546  0.22432459  0.06106128
   0.73045427  0.39747708  0.28295312
   0.31777032  0.13004075  0.64915884
   0.25746137  0.75103113  0.74779397
   0.17821175  1.07930618  0.17269590
   0.21996983  1.12197222  0.05457288
   0.65815162  0.38439892  0.84488523
   0.92945718  0.50033489  0.63060879
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904364    0.431316   -0.186715
    -0.000000    9.909089   -0.047646
    -0.000000    0.000000   13.931619
   Si   O    H 
    32    64    10
Direct configuration=  2264
   0.14546236  0.19727853 -0.03555201
   0.34256646  0.08864751  0.36977478
   0.13681530  0.42035351  0.10036541
   0.38448072  0.32874900  0.23074655
   0.07801890  0.15649854  0.49880579
   0.39053913  0.12209727  0.85685891
   0.14213541  0.41986798  0.61482162
   0.37699867  0.36516113  0.74791543
   0.14251545  0.68752078 -0.00657839
   0.41979329  0.58350234  0.34967941
   0.08534710  0.88581376  0.13648824
   0.34371353  0.83193641  0.24550803
   0.17910755  0.65588302  0.48521471
   0.38425160  0.61402416  0.86112233
   0.07260612  0.89045432  0.60931717
   0.33411095  0.98827244  0.68777749
   0.60486727  0.14298057  1.00909218
   0.84727198  0.10003471  0.33989476
   0.61223373  0.40456330  0.11079682
   0.88411861  0.27643165  0.15711007
   0.61055571  0.16756227  0.48237344
   0.86592185  0.08992516  0.88416877
   0.61065733  0.45160220  0.60080089
   0.77790974  0.37082873  0.79632558
   0.61993538  0.65828787 -0.00773827
   0.90442132  0.58805637  0.38053598
   0.58427091  0.88917022  0.13045635
   0.84336014  0.81457655  0.23639777
   0.63389421  0.67396228  0.46090785
   0.87083673  0.62277958  0.87663003
   0.61125126  0.91399328  0.60853926
   0.82687013  0.86047600  0.74615236
   0.08807047  0.04810445  0.16378933
   0.34058347  0.17592245  0.26725412
   0.11530272  0.35321628 -0.00533518
   0.35253848  0.43362335  0.32604112
   0.53118801  0.34732558  0.20019901
   0.28805012  0.37884353  0.14775725
   0.22487515  0.10189540  0.44916892
  -0.03171882  0.14593956  0.40846632
   0.02468308  0.05402570  0.57876071
   0.46231694  0.23428150  0.79398617
   0.08600104  0.30189993  0.54176728
   0.33870421  0.46212962  0.84060585
   0.47402309  0.42901685  0.66708387
   0.22969118  0.33214480  0.69599938
   0.24453108  0.17557635 -0.12476624
   0.01002603  0.11784848  0.94501053
   0.11937888  0.58688114  0.08981566
   0.41438166  0.68328692  0.24725188
   0.12802831  0.85046190  0.02780650
   0.35458208  0.92084859  0.34169344
   0.43172438  0.90582739  0.16953195
   0.18474925  0.80917248  0.21888573
   0.31732662  0.65604589  0.42285444
   0.05952417  0.59071875  0.42275615
   0.21280310  0.56039931  0.57858101
   0.35603026  0.71755333  0.77394683
   0.14560306  0.81380450  0.51676666
   0.38071487  0.97711717  0.79841866
   0.45531457  0.91302714  0.62791865
   0.19778376  0.90070923  0.69636542
   0.28437662  0.66714617 -0.05689207
   0.02651593  0.65645443  0.90712712
   0.61742328  0.04514429  0.10988123
   0.83583266  0.18090385  0.24275724
   0.59753757  0.31228881  0.01972113
   0.86651027  0.43566786  0.36302316
   0.04075395  0.33185441  0.16665876
   0.77260749  0.41198543  0.15260086
   0.70204800  0.13832376  0.38927795
   0.46467426  0.14439619  0.43512114
   0.65767758  0.05502238  0.56727493
   0.83398921  0.21547133  0.80685334
   0.62952061  0.32871091  0.51509035
   0.88266074  0.46129267  0.85451651
   1.01046135  0.49760770  0.66370061
   0.74340404  0.40514100  0.67501387
   0.75025863  0.07554689  0.96323809
   0.46863239  0.10219337  0.96014851
   0.56220752  0.55193826  0.07826258
   0.87562623  0.66755318  0.27917441
   0.59657985  0.80549602  0.02954755
   0.87413052  0.93424792  0.31407191
   0.92540065  0.83654285  0.13733970
   0.67987159  0.82418065  0.21389547
   0.80353334  0.67649179  0.45757765
   0.58089296  0.56922354  0.38130450
   0.59953132  0.60631009  0.56398581
   0.80597686  0.71829866  0.80064076
   0.55927612  0.82106640  0.44040737
   0.91674084  0.95267063  0.82530638
   0.94306651  0.82938117  0.66351002
   0.67496774  0.92178241  0.72503211
   0.78481838  0.63402449  0.98123215
   0.54620969  0.61623026  0.89621139
   0.70569474  0.81993258  0.57518946
   0.46787536  0.85246985  0.42048042
   0.85270766  0.22076701  0.05918377
   0.70998311  0.39315414  0.27180833
   0.32218827  0.11926842  0.64581567
   0.26482698  0.75044498  0.75096569
   0.18511974  1.08075313  0.16984809
   0.21545803  1.12839793  0.05360357
   0.65271411  0.39100196  0.83861979
   0.92226369  0.49821812  0.62870431
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903778    0.431036   -0.186229
    -0.000000    9.907366   -0.046774
    -0.000000    0.000000   13.932530
   Si   O    H 
    32    64    10
Direct configuration=  2265
   0.14613230  0.19826661 -0.03511839
   0.34196945  0.08858871  0.37003542
   0.13581872  0.42152039  0.09973281
   0.38615046  0.32877200  0.23079855
   0.07821246  0.15641485  0.49949520
   0.39070224  0.12372394  0.85688529
   0.14143633  0.41979339  0.61493692
   0.37700630  0.36545212  0.74765990
   0.14201717  0.68854744 -0.00641389
   0.42077716  0.58411255  0.34953313
   0.08465752  0.88685007  0.13563042
   0.34483405  0.83137384  0.24482869
   0.17787505  0.65566920  0.48494972
   0.38367147  0.61360441  0.86084760
   0.07426614  0.89027889  0.60968809
   0.33387954  0.98706699  0.68700021
   0.60496208  0.14160745  1.00902057
   0.84652665  0.10010743  0.34063092
   0.61327641  0.40680976  0.11030222
   0.88496717  0.27566331  0.15760894
   0.60957966  0.16642573  0.48205618
   0.86502821  0.08966144  0.88455119
   0.61053455  0.45124603  0.60081237
   0.77789211  0.36978030  0.79677412
   0.62020666  0.65731879 -0.00685991
   0.90318692  0.58823734  0.37987819
   0.58355745  0.88854721  0.13049242
   0.84241313  0.81530702  0.23683269
   0.63223949  0.67545845  0.46143656
   0.87100478  0.62355880  0.87754317
   0.61138409  0.91427834  0.60899318
   0.82549322  0.86255015  0.74508014
   0.08703750  0.04839645  0.16347477
   0.33861067  0.17728200  0.26761322
   0.11549769  0.35337895 -0.00613446
   0.35256191  0.43079124  0.32630695
   0.53064080  0.34625539  0.19877995
   0.28825711  0.37926092  0.14640823
   0.22388862  0.10191574  0.45049813
  -0.03294744  0.14431075  0.40899325
   0.02429884  0.05486610  0.57846064
   0.46170305  0.23602050  0.79378006
   0.08727460  0.30140735  0.54062194
   0.33903707  0.46204085  0.84124188
   0.47324634  0.42796750  0.66521360
   0.23156507  0.33346357  0.69653457
   0.24327540  0.17570329 -0.12605457
   0.00857680  0.11823461  0.94574209
   0.11938278  0.58782803  0.09007456
   0.41222228  0.68207912  0.24855711
   0.12706247  0.85096697  0.02718602
   0.35433223  0.92225840  0.34047776
   0.43162591  0.90332897  0.17075967
   0.18516332  0.80836165  0.21816608
   0.31638819  0.65460760  0.42345560
   0.05995689  0.59084140  0.42229838
   0.21295510  0.56184458  0.57795039
   0.35511641  0.71691753  0.77338437
   0.14643518  0.81213817  0.51754639
   0.38107268  0.97880784  0.79784961
   0.45582013  0.91418969  0.62672521
   0.19624936  0.90011797  0.69664000
   0.28569302  0.66709286 -0.05607981
   0.02727098  0.65754902  0.90666338
   0.61760734  0.04791341  0.10847795
   0.83603977  0.18213791  0.24180357
   0.59716750  0.30997346  0.01977052
   0.86902602  0.43616339  0.36461619
   0.04005314  0.33008603  0.16644663
   0.77240681  0.41186371  0.15350082
   0.69839165  0.13738040  0.38900290
   0.46294704  0.14535451  0.43539269
   0.65465693  0.05511098  0.56540566
   0.83383521  0.21760745  0.80712152
   0.62851520  0.32944116  0.51475693
   0.88483365  0.46304951  0.85419422
   1.01058093  0.49738591  0.66327951
   0.74461322  0.40622061  0.67400523
   0.74964686  0.07335201  0.96292001
   0.46877258  0.10344664  0.96052067
   0.56178778  0.55153640  0.07772916
   0.87515728  0.66541352  0.27835103
   0.59685658  0.80746728  0.02826222
   0.87489582  0.93342448  0.31438507
   0.92332890  0.83555788  0.13790900
   0.68069985  0.82280009  0.21437968
   0.80496900  0.67550320  0.45557352
   0.58164515  0.56989616  0.38080244
   0.60069186  0.60511081  0.56396981
   0.80568299  0.71815584  0.80020230
   0.55942762  0.82347851  0.44051316
   0.91736710  0.95135787  0.82491009
   0.94264394  0.82872089  0.66347580
   0.67619648  0.92353262  0.72549445
   0.78520238  0.63614392  0.98033831
   0.54688682  0.61584691  0.89637754
   0.70868472  0.81443077  0.58038009
   0.46267105  0.85039741  0.42100017
   0.84897897  0.21301418  0.05882256
   0.69764090  0.39483440  0.26435861
   0.32604594  0.11108048  0.64073934
   0.27701368  0.74752964  0.75180061
   0.18176388  1.08111308  0.16761728
   0.21548994  1.13594090  0.04787241
   0.64408689  0.39571630  0.83360099
   0.92006026  0.49423877  0.62725337
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903356    0.431002   -0.186258
    -0.000000    9.905454   -0.046466
    -0.000000    0.000000   13.932789
   Si   O    H 
    32    64    10
Direct configuration=  2266
   0.14673385  0.19849509 -0.03435768
   0.34137941  0.08858827  0.37033177
   0.13468722  0.42188673  0.09904056
   0.38700075  0.32871877  0.23149401
   0.07846172  0.15615255  0.50008657
   0.39096869  0.12440500  0.85706016
   0.14050213  0.42032899  0.61532968
   0.37692951  0.36616465  0.74761781
   0.14171598  0.68956643 -0.00626038
   0.42149950  0.58462919  0.34905220
   0.08356850  0.88789542  0.13547199
   0.34580144  0.83064512  0.24418557
   0.17734489  0.65524558  0.48456468
   0.38254389  0.61302440  0.86021956
   0.07583248  0.89034901  0.61041668
   0.33428816  0.98612227  0.68650265
   0.60604705  0.13981312  1.00909036
   0.84603005  0.10003317  0.34116944
   0.61435648  0.40921158  0.11017741
   0.88610409  0.27556989  0.15791988
   0.60898348  0.16559415  0.48168909
   0.86448830  0.08954553  0.88526943
   0.61089182  0.44998601  0.60086891
   0.77799730  0.36890495  0.79712041
   0.62128349  0.65602740 -0.00597137
   0.90212838  0.58813494  0.37938567
   0.58341351  0.88848080  0.12994088
   0.84236356  0.81565134  0.23719775
   0.63063476  0.67661073  0.46202468
   0.87153287  0.62401756  0.87854143
   0.61187983  0.91415850  0.60976486
   0.82383894  0.86409683  0.74368415
   0.08586943  0.04795975  0.16298825
   0.33664677  0.17920180  0.26758916
   0.11530654  0.35379161 -0.00670343
   0.35339694  0.42812774  0.32688621
   0.53080648  0.34531539  0.19764455
   0.28754854  0.38025988  0.14476916
   0.22236806  0.10137673  0.45181588
  -0.03375226  0.14313816  0.40929075
   0.02381272  0.05464377  0.57821769
   0.46184227  0.23812246  0.79341847
   0.08807588  0.30189318  0.53984970
   0.33913706  0.46163515  0.84156697
   0.47249551  0.42817628  0.66388082
   0.23299624  0.33381786  0.69704624
   0.24177704  0.17619255 -0.12742653
   0.00766940  0.11775311  0.94567428
   0.11876703  0.58911226  0.09022089
   0.40979973  0.68048081  0.25044524
   0.12677980  0.85087916  0.02677857
   0.35438672  0.92486800  0.33996390
   0.43221545  0.90139889  0.17151351
   0.18510635  0.80808762  0.21698447
   0.31567071  0.65300948  0.42393187
   0.06110356  0.59146566  0.42147564
   0.21315202  0.56337827  0.57734221
   0.35539951  0.71479999  0.77275532
   0.14629607  0.81069380  0.51807647
   0.38114667  0.98085576  0.79787151
   0.45616991  0.91458437  0.62563522
   0.19522516  0.89977620  0.69651033
   0.28713113  0.66683634 -0.05520908
   0.02832121  0.65923014  0.90717179
   0.61787880  0.05040843  0.10724488
   0.83619656  0.18337747  0.24063053
   0.59599760  0.30752656  0.01989243
   0.87147242  0.43665726  0.36583888
   0.03952422  0.32833775  0.16591323
   0.77249437  0.41150840  0.15419292
   0.69586968  0.13627357  0.38874861
   0.46100421  0.14652382  0.43559249
   0.65101566  0.05627567  0.56387449
   0.83423469  0.21865703  0.80730392
   0.62752070  0.33057972  0.51413539
   0.88601573  0.46470988  0.85314754
   1.01039662  0.49659172  0.66218666
   0.74522028  0.40703730  0.67358369
   0.74880563  0.07146995  0.96231147
   0.46875590  0.10410950  0.96053261
   0.56128247  0.55111437  0.07789480
   0.87426025  0.66327642  0.27822156
   0.59699452  0.80966665  0.02794849
   0.87553679  0.93327868  0.31446159
   0.92220384  0.83532871  0.13794674
   0.68100408  0.82108844  0.21456324
   0.80554192  0.67527061  0.45359333
   0.58180511  0.57024230  0.38064080
   0.60216834  0.60377718  0.56402638
   0.80439263  0.71879328  0.79887754
   0.55935116  0.82594212  0.44033240
   0.91758131  0.94973370  0.82441346
   0.94197456  0.82824009  0.66339969
   0.67641004  0.92442160  0.72645711
   0.78570344  0.63884325  0.97971597
   0.54710727  0.61608540  0.89642204
   0.71530629  0.80616600  0.58402776
   0.46330028  0.84494912  0.42401389
   0.84876366  0.21093233  0.06084596
   0.68679896  0.39910180  0.25487349
   0.32742182  0.10842585  0.63635706
   0.26642772  0.75271666  0.74947163
   0.17308861  1.08407061  0.16473819
   0.21697573  1.14216942  0.03904437
   0.63272684  0.40053950  0.82844448
   0.92198777  0.49143980  0.62839580
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902819    0.430485   -0.186095
    -0.000000    9.904058   -0.046269
    -0.000000    0.000000   13.932672
   Si   O    H 
    32    64    10
Direct configuration=  2267
   0.14684323  0.19883786 -0.03378252
   0.34085572  0.08844781  0.37076181
   0.13416909  0.42239510  0.09853307
   0.38723925  0.32939055  0.23245010
   0.07833862  0.15593226  0.50015608
   0.39144478  0.12476848  0.85711302
   0.13970167  0.42067452  0.61569254
   0.37746921  0.36636293  0.74722003
   0.14109490  0.69037327 -0.00636992
   0.42176113  0.58482685  0.34821661
   0.08269603  0.88889493  0.13600500
   0.34621291  0.82992304  0.24397521
   0.17698726  0.65538804  0.48434554
   0.38177339  0.61341374  0.85944008
   0.07717984  0.89062602  0.61118422
   0.33480640  0.98535913  0.68621759
   0.60756149  0.13802898  1.00914063
   0.84593092  0.09985689  0.34122675
   0.61532401  0.41121270  0.11020551
   0.88701178  0.27549761  0.15835079
   0.60818548  0.16494642  0.48104270
   0.86461225  0.08902250  0.88578293
   0.61140109  0.44871022  0.60107944
   0.77757725  0.36883544  0.79721518
   0.62213456  0.65485479 -0.00487795
   0.90142433  0.58738262  0.37890267
   0.58364457  0.88884799  0.12915176
   0.84187049  0.81623471  0.23706471
   0.62990756  0.67750806  0.46240263
   0.87236526  0.62415588  0.87985571
   0.61232922  0.91438618  0.61018172
   0.82299793  0.86513652  0.74308913
   0.08481343  0.04773562  0.16200343
   0.33553221  0.18075912  0.26752167
   0.11471965  0.35457613 -0.00716923
   0.35481880  0.42554950  0.32776548
   0.53132729  0.34502296  0.19599514
   0.28687274  0.38186033  0.14289467
   0.22075276  0.10118805  0.45297663
  -0.03394205  0.14247159  0.40944385
   0.02339197  0.05382407  0.57846111
   0.46089840  0.23963186  0.79328268
   0.08881798  0.30362510  0.53977999
   0.33904215  0.46080898  0.84140572
   0.47206724  0.42827528  0.66295523
   0.23347687  0.33306191  0.69701414
   0.23970182  0.17696786 -0.12912397
   0.00675125  0.11832619  0.94481523
   0.11823442  0.59035166  0.08997334
   0.40758479  0.67894281  0.25288171
   0.12676182  0.85098114  0.02623579
   0.35424686  0.92746478  0.33967918
   0.43330088  0.89993258  0.17213219
   0.18554089  0.80877091  0.21490518
   0.31595335  0.65196936  0.42495293
   0.06183467  0.59195123  0.42024548
   0.21304695  0.56423243  0.57641074
   0.35527136  0.71229364  0.77251377
   0.14554022  0.80994840  0.51935886
   0.38087430  0.98339535  0.79857341
   0.45645583  0.91526369  0.62491639
   0.19390213  0.89968260  0.69602937
   0.28856358  0.66640368 -0.05402490
   0.02866406  0.66147762  0.90825562
   0.61823865  0.05291727  0.10627014
   0.83626473  0.18487330  0.23917383
   0.59602865  0.30519770  0.01985050
   0.87382253  0.43631905  0.36746116
   0.03889469  0.32659288  0.16505937
   0.77262319  0.41205495  0.15535698
   0.69402654  0.13538771  0.38863748
   0.45961163  0.14667649  0.43514933
   0.64815475  0.05753255  0.56283920
   0.83363437  0.21950615  0.80754613
   0.62604828  0.33173362  0.51381932
   0.88651635  0.46676786  0.85229424
   1.00981107  0.49553952  0.66110360
   0.74574284  0.40702531  0.67330621
   0.74748912  0.06987495  0.96190635
   0.46843041  0.10543332  0.96007484
   0.56107588  0.55111150  0.07791782
   0.87311868  0.66180677  0.27743319
   0.59699035  0.81170163  0.02784226
   0.87618417  0.93400641  0.31520443
   0.92143940  0.83527438  0.13785627
   0.68112231  0.81894121  0.21481279
   0.80543707  0.67517412  0.45174875
   0.58252278  0.57056533  0.38058454
   0.60329316  0.60181055  0.56453652
   0.80296471  0.71925219  0.79707708
   0.55922095  0.82816618  0.43999035
   0.91827385  0.94854713  0.82374613
   0.94133999  0.82756432  0.66309352
   0.67639860  0.92489024  0.72727729
   0.78637780  0.64171678  0.97868862
   0.54633914  0.61593204  0.89680370
   0.71909822  0.79712329  0.58830439
   0.46049371  0.83948155  0.42575415
   0.84988568  0.21185169  0.06533200
   0.68509786  0.40483718  0.24723440
   0.32280104  0.11546038  0.63256054
   0.25847104  0.75509125  0.74727751
   0.16744880  1.08983643  0.16177202
   0.22771978  1.14251132  0.03947321
   0.62362977  0.40321464  0.82273707
   0.92546715  0.48826483  0.63247021
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902080    0.430336   -0.186583
    -0.000000    9.902304   -0.046062
    -0.000000    0.000000   13.932071
   Si   O    H 
    32    64    10
Direct configuration=  2268
   0.14658609  0.19858610 -0.03367438
   0.33959153  0.08803555  0.37155852
   0.13354985  0.42361715  0.09835279
   0.38669966  0.32980884  0.23371320
   0.07860533  0.15543043  0.50004603
   0.39224383  0.12486997  0.85758507
   0.13916437  0.42081864  0.61604497
   0.37792292  0.36628342  0.74729121
   0.14047193  0.69147578 -0.00650913
   0.42195161  0.58510565  0.34748660
   0.08257472  0.88983374  0.13679320
   0.34599239  0.82882634  0.24376761
   0.17689514  0.65569672  0.48396045
   0.38180591  0.61394942  0.85896583
   0.07786352  0.89124662  0.61218673
   0.33548906  0.98423090  0.68576976
   0.60948628  0.13570209  1.00920750
   0.84575275  0.09950296  0.34093676
   0.61643195  0.41298228  0.10987393
   0.88733878  0.27512776  0.15861479
   0.60764486  0.16524316  0.48090401
   0.86526315  0.08856287  0.88620935
   0.61245352  0.44715097  0.60145493
   0.77620105  0.36908922  0.79698563
   0.62306613  0.65359496 -0.00377151
   0.90039970  0.58722076  0.37843297
   0.58323172  0.88863951  0.12834919
   0.84220959  0.81712543  0.23676742
   0.62970647  0.67822306  0.46208338
   0.87332807  0.62429977  0.88086393
   0.61276754  0.91489279  0.61072130
   0.82291032  0.86601359  0.74259974
   0.08281855  0.04724360  0.16162048
   0.33474625  0.18153647  0.26771216
   0.11451240  0.35673500 -0.00776759
   0.35663612  0.42379618  0.32868399
   0.53159276  0.34457846  0.19400838
   0.28598901  0.38240382  0.14079230
   0.21821675  0.10048199  0.45385963
  -0.03448553  0.14237825  0.40964935
   0.02324475  0.05314651  0.57890541
   0.46036228  0.24061154  0.79309573
   0.08975978  0.30571276  0.53896603
   0.33991467  0.45982884  0.84107471
   0.47196707  0.42798789  0.66205114
   0.23350667  0.33260544  0.69634336
   0.23715729  0.17810712 -0.13052432
   0.00495250  0.11942619  0.94402622
   0.11721055  0.59146946  0.08928342
   0.40627459  0.67752654  0.25591330
   0.12630776  0.85022932  0.02547747
   0.35427704  0.92921747  0.33908661
   0.43533018  0.89836963  0.17223779
   0.18603643  0.80920150  0.21313170
   0.31664742  0.65156116  0.42534493
   0.06199583  0.59157213  0.41887632
   0.21229001  0.56508040  0.57584979
   0.35407677  0.71110533  0.77265335
   0.14337210  0.80964212  0.52053823
   0.38035674  0.98543758  0.79945620
   0.45638694  0.91586221  0.62423527
   0.19319621  0.90008372  0.69603636
   0.28910329  0.66607692 -0.05253414
   0.02901265  0.66395864  0.90920089
   0.61865260  0.05437342  0.10591074
   0.83641949  0.18568480  0.23848536
   0.59660691  0.30289160  0.01952386
   0.87536126  0.43464151  0.36867873
   0.03868536  0.32494427  0.16451338
   0.77234007  0.41264534  0.15604227
   0.69372441  0.13416557  0.38765193
   0.45888021  0.14707133  0.43451117
   0.64590076  0.05879638  0.56249434
   0.83324997  0.21933171  0.80791811
   0.62495419  0.33286186  0.51387976
   0.88693184  0.46807111  0.85124785
   1.00956087  0.49572011  0.66060741
   0.74578611  0.40686904  0.67318282
   0.74605443  0.06918724  0.96184161
   0.46751754  0.10584670  0.95975277
   0.56090570  0.55135341  0.07761105
   0.87295431  0.66055645  0.27673626
   0.59597039  0.81328155  0.02757196
   0.87622613  0.93422359  0.31557983
   0.92013581  0.83575155  0.13822341
   0.68080078  0.81681651  0.21447965
   0.80502174  0.67572754  0.45069443
   0.58279839  0.57033451  0.38050473
   0.60471254  0.60096794  0.56448899
   0.80156832  0.71900574  0.79490387
   0.55876318  0.82982719  0.43963952
   0.91763826  0.94771998  0.82274045
   0.94029503  0.82722201  0.66301235
   0.67594987  0.92614602  0.72774750
   0.78634188  0.64413892  0.97802058
   0.54496799  0.61702052  0.89658076
   0.71813306  0.79243978  0.59078404
   0.45968623  0.83708048  0.43157693
   0.85379354  0.21144176  0.06833404
   0.68248250  0.41270103  0.24466294
   0.31519236  0.12263965  0.63209341
   0.26199265  0.75004030  0.75113766
   0.16812446  1.09810501  0.16095687
   0.23600905  1.13673895  0.04506588
   0.62446309  0.40401699  0.81726036
   0.91468992  0.48683893  0.63266691
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901529    0.429735   -0.187544
    -0.000000    9.900218   -0.045750
    -0.000000    0.000000   13.931355
   Si   O    H 
    32    64    10
Direct configuration=  2269
   0.14660497  0.19834551 -0.03352854
   0.33807735  0.08878022  0.37241384
   0.13277064  0.42473470  0.09818786
   0.38578886  0.33005041  0.23525753
   0.07868522  0.15493023  0.49976463
   0.39276655  0.12444690  0.85783503
   0.13920138  0.42150192  0.61628160
   0.37886480  0.36626880  0.74722342
   0.13974891  0.69238169 -0.00657633
   0.42222277  0.58552826  0.34653110
   0.08180380  0.89045516  0.13736272
   0.34545061  0.82756034  0.24372568
   0.17665180  0.65523946  0.48301947
   0.38174982  0.61465265  0.85903208
   0.07760598  0.89213047  0.61320113
   0.33605224  0.98333972  0.68552405
   0.61098500  0.13377404  1.00970483
   0.84536561  0.09928333  0.34122753
   0.61749369  0.41366491  0.10987364
   0.88785355  0.27487951  0.15885913
   0.60778130  0.16650592  0.48038558
   0.86575347  0.08798440  0.88659378
   0.61319548  0.44535581  0.60181868
   0.77516636  0.37033684  0.79680258
   0.62353090  0.65289209 -0.00304084
   0.90051341  0.58697932  0.37836507
   0.58324659  0.88935587  0.12729377
   0.84272165  0.81726821  0.23670734
   0.62999961  0.67873211  0.46196840
   0.87469838  0.62474556  0.88199687
   0.61374494  0.91574915  0.61106881
   0.82348767  0.86647818  0.74247047
   0.08015540  0.04743926  0.16091562
   0.33383774  0.18264964  0.26755906
   0.11421430  0.35897721 -0.00894384
   0.35965868  0.42266287  0.32954264
   0.53158849  0.34405952  0.19209635
   0.28494439  0.38260092  0.13874551
   0.21576551  0.10017249  0.45444711
  -0.03466075  0.14204971  0.40997363
   0.02345387  0.05178121  0.57952990
   0.46071701  0.24162391  0.79313088
   0.08975951  0.30761162  0.53826255
   0.34116928  0.45852687  0.84084617
   0.47262880  0.42805683  0.66194556
   0.23358000  0.33186308  0.69574733
   0.23398869  0.17747295 -0.13201934
   0.00309384  0.12075830  0.94425092
   0.11578290  0.59228043  0.08825891
   0.40524974  0.67561571  0.25907475
   0.12612069  0.84942917  0.02424449
   0.35374311  0.93059233  0.33826782
   0.43744073  0.89764702  0.17196643
   0.18732665  0.81030893  0.21186862
   0.31843525  0.65037582  0.42596959
   0.06143745  0.59164163  0.41768610
   0.21198481  0.56530021  0.57551796
   0.35252803  0.70986424  0.77265189
   0.14062198  0.81002262  0.52183376
   0.38170018  0.98729650  0.80017543
   0.45603624  0.91571444  0.62328631
   0.19225749  0.90079816  0.69636727
   0.28917603  0.66545904 -0.05118281
   0.02908882  0.66580360  0.90971254
   0.61812088  0.05525327  0.10612613
   0.83691687  0.18582040  0.23842562
   0.59801094  0.29972811  0.01969610
   0.87709546  0.43271312  0.36969025
   0.03765933  0.32447283  0.16453378
   0.77232880  0.41302068  0.15643197
   0.69379731  0.13354973  0.38672193
   0.45958303  0.14788078  0.43407186
   0.64413871  0.05933237  0.56212135
   0.83236536  0.21797492  0.80806755
   0.62331648  0.33317634  0.51437410
   0.88701982  0.46934624  0.84962209
   1.00978418  0.49607918  0.65999060
   0.74612713  0.40788579  0.67295957
   0.74500473  0.06847915  0.96169712
   0.46638963  0.10606353  0.95939503
   0.56073166  0.55241142  0.07678650
   0.87331518  0.65920979  0.27544572
   0.59513520  0.81434501  0.02749990
   0.87515129  0.93516264  0.31626066
   0.91996921  0.83644043  0.13829896
   0.67977401  0.81563558  0.21394235
   0.80384389  0.67597224  0.44962775
   0.58250036  0.57004028  0.38036591
   0.60590866  0.60038308  0.56470527
   0.80034909  0.71899031  0.79353925
   0.55867045  0.83141862  0.43922429
   0.91698842  0.94799833  0.82163025
   0.93899275  0.82683948  0.66241141
   0.67545755  0.92713546  0.72739829
   0.78574903  0.64535497  0.97750756
   0.54429549  0.61795599  0.89556110
   0.71243116  0.79297800  0.59374959
   0.45779984  0.83537732  0.43786674
   0.85605486  0.20715577  0.07362979
   0.68335591  0.42072465  0.24418684
   0.30932379  0.12166559  0.63531631
   0.26970437  0.74135926  0.75682783
   0.16777291  1.10261943  0.16252124
   0.24137509  1.13335812  0.04827422
   0.63027535  0.40201184  0.81478539
   0.91087902  0.48645432  0.63548667
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901238    0.428401   -0.188140
    -0.000000    9.898413   -0.045862
    -0.000000    0.000000   13.930503
   Si   O    H 
    32    64    10
Direct configuration=  2270
   0.14650427  0.19814423 -0.03339247
   0.33643061  0.08982527  0.37330424
   0.13161844  0.42619528  0.09812507
   0.38389811  0.33014288  0.23651662
   0.07816962  0.15431632  0.49883500
   0.39253585  0.12469122  0.85767644
   0.13951563  0.42201542  0.61619089
   0.37960840  0.36638814  0.74713333
   0.13975058  0.69335186 -0.00668875
   0.42197317  0.58515379  0.34614136
   0.08104643  0.89105749  0.13725357
   0.34489839  0.82616693  0.24435548
   0.17588295  0.65484395  0.48241588
   0.38195259  0.61513846  0.85885821
   0.07706994  0.89244547  0.61381539
   0.33644314  0.98273298  0.68534061
   0.61201192  0.13249880  1.01039943
   0.84499555  0.09881694  0.34137687
   0.61844321  0.41397367  0.10965675
   0.88795027  0.27476718  0.15875455
   0.60765857  0.16771392  0.48016006
   0.86621767  0.08723031  0.88707719
   0.61315144  0.44408705  0.60210563
   0.77427788  0.37187564  0.79615792
   0.62367813  0.65249374 -0.00267662
   0.90014663  0.58659269  0.37822951
   0.58326646  0.89065571  0.12621954
   0.84288481  0.81659253  0.23686908
   0.63071643  0.67953013  0.46152522
   0.87575713  0.62552075  0.88242491
   0.61436482  0.91678550  0.61153790
   0.82477246  0.86590717  0.74254198
   0.07836118  0.04847874  0.16074875
   0.33294746  0.18360117  0.26704184
   0.11506581  0.36047248 -0.00995563
   0.36223847  0.42155654  0.33038614
   0.53131140  0.34361565  0.19034561
   0.28450875  0.38305728  0.13706617
   0.21436867  0.09958349  0.45415101
  -0.03449597  0.14154019  0.41013045
   0.02418064  0.04977726  0.58057379
   0.46073168  0.24173706  0.79325332
   0.08987093  0.30975773  0.53775951
   0.34268577  0.45841177  0.84046106
   0.47365941  0.42832954  0.66177710
   0.23287091  0.33151209  0.69520687
   0.23041692  0.17761382 -0.13337955
   0.00270998  0.12215548  0.94480185
   0.11449359  0.59352723  0.08781864
   0.40444943  0.67381065  0.26102879
   0.12562686  0.84966690  0.02455412
   0.35376761  0.93080452  0.33768908
   0.43842530  0.89768781  0.17131283
   0.18878647  0.81152471  0.21125633
   0.32013607  0.64951779  0.42655885
   0.06006155  0.59268654  0.41688630
   0.21178526  0.56480862  0.57587147
   0.35174894  0.70869593  0.77245647
   0.13889988  0.81073280  0.52285156
   0.38289305  0.98914471  0.80076690
   0.45557535  0.91537868  0.62267492
   0.19137617  0.90208565  0.69718864
   0.29022809  0.66385945 -0.05001025
   0.02958983  0.66828540  0.90941349
   0.61796958  0.05540347  0.10674216
   0.83805211  0.18477281  0.23917720
   0.59934703  0.29720604  0.02012709
   0.87752150  0.43010755  0.37021969
   0.03709187  0.32461410  0.16468386
   0.77307395  0.41321263  0.15704279
   0.69478887  0.13234127  0.38596338
   0.45981285  0.14833772  0.43369654
   0.64295148  0.06034842  0.56187705
   0.83223556  0.21726094  0.80888366
   0.62123928  0.33387303  0.51491817
   0.88695745  0.46988268  0.84836114
   1.00913231  0.49667362  0.65956316
   0.74646659  0.40865426  0.67308525
   0.74372066  0.06759859  0.96113115
   0.46584926  0.10538814  0.95942822
   0.56052456  0.55419329  0.07563451
   0.87433734  0.65807395  0.27432928
   0.59463530  0.81461519  0.02697706
   0.87339076  0.93614707  0.31678881
   0.92089822  0.83788467  0.13893970
   0.67800234  0.81498578  0.21327537
   0.80242713  0.67678321  0.44837029
   0.58263745  0.57030248  0.38035764
   0.60745993  0.59936251  0.56489197
   0.80023089  0.71790294  0.79285166
   0.55864195  0.83321528  0.43905738
   0.91589645  0.94864107  0.82069813
   0.93881508  0.82672700  0.66120973
   0.67482804  0.92904886  0.72683119
   0.78450861  0.64677105  0.97747832
   0.54366058  0.61871035  0.89447388
   0.70504960  0.79804059  0.59573012
   0.45948784  0.83316470  0.44439265
   0.85981119  0.19991993  0.07381967
   0.68249598  0.42758637  0.24550722
   0.30578517  0.11736311  0.64039803
   0.25627167  0.74175845  0.75794519
   0.15919570  1.10282723  0.16759679
   0.24179862  1.13325571  0.04783206
   0.63789874  0.40124544  0.81407245
   0.91388120  0.48798909  0.64164823
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900940    0.426921   -0.188779
    -0.000000    9.896906   -0.045952
    -0.000000    0.000000   13.929629
   Si   O    H 
    32    64    10
Direct configuration=  2271
   0.14628499  0.19802319 -0.03257209
   0.33510397  0.09064185  0.37424283
   0.13094432  0.42629768  0.09833579
   0.38191189  0.33015236  0.23751289
   0.07714046  0.15370698  0.49804790
   0.39182674  0.12489465  0.85705013
   0.13986111  0.42260235  0.61575571
   0.38066018  0.36658738  0.74705488
   0.13951409  0.69428194 -0.00688874
   0.42126227  0.58406987  0.34589852
   0.07972338  0.89149250  0.13666851
   0.34477139  0.82448636  0.24518613
   0.17520307  0.65448570  0.48150067
   0.38184064  0.61544447  0.85948390
   0.07662466  0.89191281  0.61466705
   0.33701966  0.98203160  0.68525366
   0.61260283  0.13226181  1.01065095
   0.84471192  0.09835909  0.34128383
   0.61966146  0.41395161  0.10927340
   0.88754650  0.27466485  0.15868537
   0.60739201  0.16813895  0.47994230
   0.86711202  0.08617921  0.88731552
   0.61333797  0.44233353  0.60205685
   0.77329918  0.37352891  0.79502747
   0.62379829  0.65245198 -0.00257311
   0.89980872  0.58590222  0.37849796
   0.58379609  0.89250462  0.12547323
   0.84319787  0.81621791  0.23739239
   0.63161356  0.68012456  0.46087104
   0.87645396  0.62611657  0.88227963
   0.61541834  0.91769380  0.61230684
   0.82616228  0.86494986  0.74262414
   0.07687558  0.04995468  0.16085462
   0.33218513  0.18348919  0.26596642
   0.11541877  0.36124675 -0.01077441
   0.36361460  0.42091976  0.33106549
   0.52996671  0.34265009  0.18905470
   0.28381519  0.38346853  0.13559165
   0.21430442  0.09853259  0.45349405
  -0.03440841  0.14165035  0.41004551
   0.02471113  0.04876150  0.58171128
   0.46104402  0.24189035  0.79363495
   0.08913371  0.31172184  0.53685333
   0.34457273  0.45835464  0.83996384
   0.47405658  0.42880984  0.66194082
   0.23226708  0.33174825  0.69438379
   0.22732103  0.17880629 -0.13463106
   0.00294847  0.12331593  0.94521471
   0.11273960  0.59379628  0.08742686
   0.40350619  0.67253690  0.26221081
   0.12478233  0.85026831  0.02505304
   0.35353530  0.93032413  0.33663049
   0.43826849  0.89764719  0.17059775
   0.18998030  0.81306144  0.21087629
   0.32170321  0.64849562  0.42687737
   0.05873314  0.59353203  0.41597368
   0.21152493  0.56385333  0.57638738
   0.35082748  0.70764956  0.77157411
   0.13681208  0.81054350  0.52371356
   0.38385700  0.99086096  0.80138401
   0.45478591  0.91466721  0.62194699
   0.19076583  0.90397716  0.69824448
   0.29179803  0.66199551 -0.04892952
   0.02931600  0.67101127  0.90863406
   0.61746415  0.05526734  0.10784121
   0.83925666  0.18243104  0.23999240
   0.60104043  0.29585513  0.02034568
   0.87788777  0.42739300  0.37130273
   0.03643070  0.32615877  0.16511520
   0.77443935  0.41295841  0.15713296
   0.69569211  0.13167112  0.38552485
   0.45986134  0.14838464  0.43359496
   0.64172451  0.06173157  0.56169169
   0.83208710  0.21656657  0.80930801
   0.61804550  0.33323099  0.51539248
   0.88733890  0.47045062  0.84715088
   1.00826680  0.49623983  0.65925602
   0.74680767  0.40914527  0.67347651
   0.74375455  0.06648685  0.96014061
   0.46629308  0.10411382  0.95956835
   0.55998420  0.55565416  0.07441115
   0.87534225  0.65786214  0.27298563
   0.59376911  0.81373738  0.02603858
   0.87155145  0.93721333  0.31690325
   0.92323692  0.84034954  0.13930154
   0.67651471  0.81426540  0.21207265
   0.80010398  0.67776601  0.44743273
   0.58169571  0.57115932  0.38056378
   0.60898814  0.59842462  0.56541609
   0.79976285  0.71667633  0.79306602
   0.55866116  0.83391735  0.43896266
   0.91463957  0.94927688  0.82032491
   0.93835895  0.82703772  0.66046530
   0.67478227  0.93023418  0.72583175
   0.78407650  0.64720011  0.97763405
   0.54338174  0.61936931  0.89339130
   0.69808719  0.80341948  0.58951242
   0.46379372  0.82697000  0.45027381
   0.86315503  0.19465108  0.07407525
   0.68300051  0.43913309  0.24976254
   0.30283078  0.11029921  0.64757987
   0.24906788  0.74232317  0.75956390
   0.15276846  1.10421197  0.17248379
   0.23672887  1.12982278  0.04621907
   0.64154143  0.40360163  0.81690713
   0.91864807  0.48645394  0.64785028
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900903    0.425928   -0.189716
    -0.000000    9.895070   -0.046206
    -0.000000    0.000000   13.928130
   Si   O    H 
    32    64    10
Direct configuration=  2272
   0.14623517  0.19763996 -0.03184299
   0.33450223  0.09146129  0.37490524
   0.13069958  0.42639926  0.09853977
   0.37988685  0.33056621  0.23796269
   0.07558775  0.15350420  0.49720801
   0.39123167  0.12543285  0.85638272
   0.14007094  0.42298867  0.61540268
   0.38114541  0.36768448  0.74686899
   0.13923701  0.69511993 -0.00745119
   0.42054487  0.58204815  0.34606114
   0.07871120  0.89224699  0.13613983
   0.34426684  0.82312263  0.24587861
   0.17462103  0.65381046  0.48032220
   0.38182819  0.61563069  0.86045767
   0.07619427  0.89185489  0.61517439
   0.33793703  0.98177350  0.68546268
   0.61288807  0.13236823  1.01060284
   0.84389377  0.09834832  0.34105337
   0.62018466  0.41318917  0.10888087
   0.88627414  0.27504186  0.15870083
   0.60672490  0.16867241  0.47962171
   0.86862901  0.08568978  0.88728180
   0.61350418  0.44100480  0.60198983
   0.77342422  0.37479595  0.79374882
   0.62340506  0.65256317 -0.00246050
   0.89912856  0.58444277  0.37858886
   0.58418755  0.89397521  0.12525240
   0.84369245  0.81505211  0.23794746
   0.63326517  0.68083108  0.46035107
   0.87679706  0.62653221  0.88155555
   0.61622500  0.91889843  0.61329807
   0.82771087  0.86399227  0.74284385
   0.07554030  0.05129878  0.16105708
   0.33175014  0.18270231  0.26532448
   0.11598889  0.36194725 -0.01173434
   0.36468354  0.42141858  0.33202703
   0.52812068  0.34182197  0.18783131
   0.28389090  0.38434169  0.13445222
   0.21396503  0.09834148  0.45310642
  -0.03332654  0.14156431  0.40990811
   0.02538001  0.04795847  0.58249561
   0.46291780  0.24118120  0.79423647
   0.08803964  0.31340433  0.53617890
   0.34595619  0.45828517  0.83929615
   0.47450275  0.42876463  0.66199038
   0.23181711  0.33289294  0.69413946
   0.22528697  0.17980034 -0.13571480
   0.00262882  0.12430860  0.94535868
   0.11106395  0.59396678  0.08690894
   0.40262961  0.67217588  0.26175283
   0.12381923  0.85167056  0.02572330
   0.35344515  0.92974911  0.33544171
   0.43827924  0.89766040  0.16954473
   0.19089842  0.81361494  0.21046524
   0.32231412  0.64776125  0.42661602
   0.05751343  0.59419096  0.41495832
   0.21148154  0.56241265  0.57688436
   0.34939350  0.70712817  0.77051505
   0.13561567  0.81062465  0.52406012
   0.38430432  0.99183928  0.80187498
   0.45439557  0.91420143  0.62140857
   0.18965977  0.90522966  0.69921084
   0.29251307  0.66016169 -0.04701988
   0.02861551  0.67367637  0.90747549
   0.61709518  0.05465523  0.10902396
   0.84044929  0.18016223  0.24103866
   0.60269407  0.29523314  0.02049854
   0.87792842  0.42576273  0.37266829
   0.03632962  0.32806152  0.16531896
   0.77548015  0.41253294  0.15698289
   0.69694463  0.13091431  0.38535611
   0.45906459  0.14817979  0.43421348
   0.64082794  0.06219708  0.56172806
   0.83137422  0.21701630  0.81007009
   0.61544695  0.33181257  0.51574742
   0.88800386  0.47117607  0.84585314
   1.00866119  0.49635395  0.65932993
   0.74751578  0.40960234  0.67393741
   0.74420181  0.06629807  0.95887135
   0.46642425  0.10263078  0.95977958
   0.55999156  0.55660471  0.07331653
   0.87543551  0.65823265  0.27199490
   0.59371349  0.81252543  0.02536840
   0.86968982  0.93744494  0.31660025
   0.92509336  0.84242763  0.13965408
   0.67409041  0.81314094  0.21060574
   0.79732759  0.67886327  0.44657489
   0.58125332  0.57205096  0.38011248
   0.61075671  0.59720099  0.56578789
   0.79947912  0.71499136  0.79398234
   0.55843562  0.83469436  0.43855402
   0.91335375  0.95004570  0.81982500
   0.93787482  0.82781849  0.65924401
   0.67445279  0.93165441  0.72456210
   0.78352094  0.64684884  0.97774603
   0.54292031  0.62038939  0.89185144
   0.69455179  0.80119743  0.58360783
   0.46171308  0.82557818  0.45516333
   0.86468285  0.19351459  0.07210682
   0.68206661  0.45325849  0.25312536
   0.29843579  0.10705323  0.65244629
   0.25838416  0.73855043  0.76069848
   0.15256966  1.11183987  0.17456704
   0.22845492  1.12982975  0.04203765
   0.63553219  0.40786125  0.82019145
   0.90643116  0.48263783  0.64928602
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901606    0.424938   -0.190316
    -0.000000    9.893220   -0.046184
    -0.000000    0.000000   13.926801
   Si   O    H 
    32    64    10
Direct configuration=  2273
   0.14594793  0.19729276 -0.03161239
   0.33442422  0.09180652  0.37537309
   0.13090767  0.42627763  0.09899036
   0.37823205  0.33145655  0.23819447
   0.07366887  0.15333277  0.49655604
   0.39055599  0.12602546  0.85589549
   0.14043199  0.42378215  0.61528832
   0.38095159  0.36910371  0.74634695
   0.13930754  0.69580838 -0.00833818
   0.41952144  0.57946395  0.34626840
   0.07826504  0.89242694  0.13486945
   0.34426565  0.82316883  0.24675955
   0.17472762  0.65345850  0.47948226
   0.38208477  0.61596403  0.86161285
   0.07527726  0.89226632  0.61600880
   0.33832578  0.98129162  0.68590820
   0.61327706  0.13266130  1.01082874
   0.84381076  0.09856718  0.34118511
   0.62079611  0.41191921  0.10851349
   0.88560083  0.27500019  0.15870801
   0.60671705  0.16954167  0.47879582
   0.87020609  0.08556261  0.88675673
   0.61339262  0.43895807  0.60185286
   0.77327661  0.37599954  0.79230778
   0.62213742  0.65284503 -0.00274986
   0.89849710  0.58288112  0.37868018
   0.58508435  0.89571037  0.12478373
   0.84306000  0.81446060  0.23815700
   0.63490807  0.68102454  0.45997885
   0.87723550  0.62719487  0.88111161
   0.61682889  0.91937182  0.61455651
   0.82916102  0.86304766  0.74313248
   0.07359122  0.05315218  0.16113089
   0.33122395  0.18131536  0.26472964
   0.11703415  0.36216245 -0.01230009
   0.36526674  0.42323089  0.33292598
   0.52560366  0.34125195  0.18689521
   0.28487844  0.38488948  0.13405306
   0.21418226  0.09769201  0.45228738
  -0.03216572  0.14194955  0.40958657
   0.02669016  0.04686911  0.58299465
   0.46565791  0.24021850  0.79523039
   0.08689972  0.31479526  0.53506157
   0.34724084  0.45793218  0.83808223
   0.47381123  0.42923042  0.66196002
   0.23189419  0.33439248  0.69434796
   0.22414183  0.18136814 -0.13638144
   0.00258009  0.12397408  0.94507866
   0.10862500  0.59357376  0.08567520
   0.40218947  0.67244040  0.26118796
   0.12298442  0.85259925  0.02671372
   0.35327586  0.93016048  0.33460268
   0.43786930  0.89795209  0.16894235
   0.19109740  0.81344515  0.21015164
   0.32252446  0.64698823  0.42652928
   0.05615604  0.59407937  0.41347060
   0.21086056  0.56052284  0.57756996
   0.34874551  0.70601246  0.76931389
   0.13504710  0.81131079  0.52433046
   0.38460904  0.99214588  0.80174069
   0.45330827  0.91368947  0.62020317
   0.18826058  0.90672773  0.69970325
   0.29291214  0.65866411 -0.04519333
   0.02760286  0.67585528  0.90629402
   0.61668523  0.05490948  0.10984381
   0.84191093  0.17745181  0.24220812
   0.60492251  0.29563344  0.02126892
   0.87779075  0.42393856  0.37368309
   0.03689422  0.33068477  0.16550054
   0.77574359  0.41275146  0.15689610
   0.69731610  0.13081047  0.38540455
   0.45847266  0.14787816  0.43453473
   0.63958822  0.06206600  0.56229991
   0.83026007  0.21650438  0.81099031
   0.61323687  0.32988836  0.51552955
   0.88872678  0.47123077  0.84509151
   1.00881637  0.49654415  0.65935961
   0.74800883  0.41032960  0.67423187
   0.74482796  0.06532319  0.95786636
   0.46634830  0.10146889  0.95979923
   0.55899603  0.55755344  0.07232572
   0.87511873  0.65890413  0.27147420
   0.59339568  0.81155175  0.02494031
   0.86807639  0.93774353  0.31649509
   0.92655729  0.84364692  0.14026217
   0.67239116  0.81217838  0.20925338
   0.79408175  0.68021317  0.44541194
   0.57968444  0.57305607  0.37885948
   0.61230604  0.59707298  0.56606962
   0.79924271  0.71315460  0.79451702
   0.55760118  0.83609097  0.43773016
   0.91215448  0.95154604  0.81985944
   0.93778397  0.82896341  0.65790584
   0.67498967  0.93267973  0.72366241
   0.78331238  0.64674152  0.97799884
   0.54262836  0.62089142  0.89024274
   0.69529746  0.80016605  0.57666152
   0.46575874  0.82336440  0.45802356
   0.86380178  0.19346325  0.06842664
   0.68333176  0.46684145  0.25580473
   0.29444347  0.11286217  0.65288449
   0.26290937  0.73746406  0.76218353
   0.15066773  1.11363303  0.17643319
   0.21804225  1.13096322  0.04035861
   0.63252143  0.40910981  0.82378879
   0.90349961  0.47931394  0.65119693
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901850    0.424122   -0.191422
    -0.000000    9.891408   -0.046114
    -0.000000    0.000000   13.925212
   Si   O    H 
    32    64    10
Direct configuration=  2274
   0.14601732  0.19694369 -0.03145104
   0.33412685  0.09189444  0.37564596
   0.13128339  0.42604520  0.09909996
   0.37644629  0.33208395  0.23809169
   0.07245303  0.15380737  0.49598182
   0.38984952  0.12739050  0.85567381
   0.14085366  0.42422381  0.61513251
   0.38078546  0.37102396  0.74587831
   0.13920971  0.69615221 -0.00927150
   0.41938314  0.57682087  0.34681495
   0.07791102  0.89234555  0.13398006
   0.34428544  0.82341150  0.24701392
   0.17466569  0.65358177  0.47899508
   0.38290757  0.61659950  0.86290179
   0.07412796  0.89340877  0.61664203
   0.33868116  0.98151978  0.68673121
   0.61290684  0.13312439  1.01095817
   0.84389960  0.09844831  0.34102589
   0.62140803  0.41037989  0.10813540
   0.88513434  0.27460539  0.15873417
   0.60622706  0.17012182  0.47830010
   0.87187675  0.08559383  0.88632401
   0.61399443  0.43729364  0.60145540
   0.77364003  0.37678248  0.79116568
   0.62151909  0.65288961 -0.00344117
   0.89775572  0.58120205  0.37851300
   0.58624808  0.89730490  0.12469460
   0.84222194  0.81432611  0.23837226
   0.63644640  0.68085652  0.45980772
   0.87751023  0.62768240  0.88062133
   0.61727286  0.91958420  0.61560087
   0.83030303  0.86214120  0.74305487
   0.07125267  0.05525291  0.16120948
   0.33135915  0.17974063  0.26420115
   0.11815539  0.36166849 -0.01322413
   0.36608465  0.42576589  0.33369573
   0.52302637  0.34103742  0.18648333
   0.28571586  0.38569538  0.13415098
   0.21450259  0.09769043  0.45145548
  -0.03122045  0.14188312  0.40917202
   0.02839507  0.04683837  0.58283321
   0.46839862  0.24009959  0.79599067
   0.08616442  0.31612092  0.53349519
   0.34857582  0.45897888  0.83754554
   0.47343264  0.43020492  0.66119295
   0.23180556  0.33597654  0.69482161
   0.22344381  0.18322423 -0.13704575
   0.00311619  0.12318093  0.94455641
   0.10692722  0.59331827  0.08439147
   0.40165049  0.67332330  0.26011810
   0.12220835  0.85326960  0.02782133
   0.35315740  0.93093184  0.33365398
   0.43653622  0.89799177  0.16814733
   0.19158090  0.81270743  0.20976262
   0.32233078  0.64602528  0.42666023
   0.05443855  0.59492081  0.41208024
   0.21068058  0.55816281  0.57830923
   0.34925346  0.70503251  0.76796180
   0.13448371  0.81215281  0.52314220
   0.38574519  0.99202388  0.80119417
   0.45279075  0.91273078  0.61925713
   0.18728519  0.90803203  0.69974487
   0.29245460  0.65758851 -0.04359952
   0.02680856  0.67724283  0.90524727
   0.61659298  0.05450808  0.11107691
   0.84366891  0.17430636  0.24336255
   0.60717426  0.29582697  0.02186247
   0.87822367  0.42205493  0.37448644
   0.03667099  0.33332235  0.16582464
   0.77703449  0.41309728  0.15726674
   0.69652911  0.13164853  0.38556629
   0.45859998  0.14688265  0.43475595
   0.63881543  0.06178266  0.56296525
   0.82947763  0.21553009  0.81225179
   0.61131750  0.32754927  0.51551597
   0.88875772  0.47135804  0.84465156
   1.00804200  0.49676098  0.65956823
   0.74867547  0.41066518  0.67436472
   0.74567447  0.06462480  0.95699271
   0.46702881  0.09956397  0.95998018
   0.55883191  0.55803934  0.07153319
   0.87491140  0.65950057  0.27095061
   0.59273106  0.81039754  0.02415100
   0.86660289  0.93677180  0.31640087
   0.92728128  0.84503130  0.14066886
   0.67120980  0.81122617  0.20766418
   0.79107574  0.68213352  0.44427415
   0.57786449  0.57394998  0.37785909
   0.61364525  0.59773790  0.56564733
   0.79967692  0.71180497  0.79497105
   0.55736752  0.83660367  0.43804566
   0.91036316  0.95319028  0.82049101
   0.93674261  0.83029390  0.65679887
   0.67577196  0.93317416  0.72338398
   0.78288138  0.64666963  0.97816031
   0.54271729  0.62130036  0.88943576
   0.69713079  0.80041497  0.57200934
   0.46932992  0.82223690  0.46104768
   0.86146190  0.19850913  0.06811033
   0.68269166  0.48078579  0.25855988
   0.29391502  0.11693816  0.65191480
   0.25113989  0.74143394  0.76231468
   0.14691935  1.10848490  0.17719208
   0.21184386  1.12802661  0.04402976
   0.63219926  0.41080062  0.83001004
   0.91127564  0.47560949  0.65071617
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901716    0.423057   -0.192435
    -0.000000    9.888555   -0.046048
    -0.000000    0.000000   13.924110
   Si   O    H 
    32    64    10
Direct configuration=  2275
   0.14590539  0.19647403 -0.03137272
   0.33396049  0.09123372  0.37545173
   0.13209756  0.42568872  0.09925105
   0.37511427  0.33247532  0.23752037
   0.07163510  0.15459233  0.49563364
   0.38951291  0.12872608  0.85546501
   0.14136840  0.42482476  0.61491818
   0.38055258  0.37243462  0.74533448
   0.13928611  0.69634057 -0.01028124
   0.41908934  0.57435425  0.34755961
   0.07798206  0.89202799  0.13360063
   0.34440582  0.82376560  0.24718997
   0.17491370  0.65391356  0.47870455
   0.38353800  0.61738583  0.86369835
   0.07312920  0.89447274  0.61698642
   0.33881111  0.98211651  0.68760622
   0.61219034  0.13430632  1.01086790
   0.84470760  0.09829054  0.34071329
   0.62149028  0.40900073  0.10770160
   0.88471291  0.27416644  0.15901188
   0.60612595  0.17033275  0.47841154
   0.87362675  0.08567315  0.88587262
   0.61466718  0.43571463  0.60090541
   0.77436394  0.37757255  0.79011599
   0.62143779  0.65362283 -0.00480907
   0.89682632  0.57984284  0.37791363
   0.58747658  0.89912214  0.12505328
   0.84091966  0.81352471  0.23836510
   0.63784027  0.68073151  0.45991731
   0.87767080  0.62827799  0.88061946
   0.61803643  0.91999098  0.61622848
   0.83144000  0.86126527  0.74309326
   0.06865052  0.05738839  0.16168908
   0.33182298  0.17804622  0.26360837
   0.11981098  0.36147369 -0.01397751
   0.36613503  0.42776642  0.33387551
   0.52019641  0.34138251  0.18640560
   0.28746379  0.38615442  0.13427283
   0.21520402  0.09903071  0.45110007
  -0.03065223  0.14258880  0.40872168
   0.02962266  0.04668802  0.58234853
   0.47087668  0.24034514  0.79605173
   0.08606639  0.31661336  0.53216090
   0.34980011  0.46040571  0.83698806
   0.47290952  0.43140191  0.66128905
   0.23260258  0.33769299  0.69428236
   0.22381329  0.18455819 -0.13718261
   0.00531870  0.12307026  0.94426720
   0.10496462  0.59297166  0.08254598
   0.40057254  0.67423764  0.25948540
   0.12186866  0.85446501  0.02882960
   0.35233107  0.93221927  0.33329010
   0.43459115  0.89825859  0.16745650
   0.19074008  0.81210718  0.20918168
   0.32192469  0.64574851  0.42682709
   0.05343185  0.59540308  0.41155149
   0.21108618  0.55643343  0.57831098
   0.34967927  0.70385321  0.76654586
   0.13346219  0.81241025  0.52228030
   0.38652098  0.99091580  0.79987535
   0.45169264  0.91141024  0.61834679
   0.18719389  0.90891057  0.69994129
   0.29221092  0.65614093 -0.04186670
   0.02680450  0.67852541  0.90443188
   0.61607058  0.05416885  0.11237665
   0.84551339  0.17182529  0.24400083
   0.60915920  0.29730721  0.02224801
   0.87854059  0.42064610  0.37497680
   0.03675788  0.33621666  0.16589155
   0.77814007  0.41285055  0.15702038
   0.69587118  0.13261294  0.38501935
   0.45902051  0.14585415  0.43519061
   0.63796713  0.06170663  0.56370364
   0.82815014  0.21432780  0.81419062
   0.60990310  0.32522563  0.51574836
   0.88767813  0.47157860  0.84452492
   1.00652796  0.49639867  0.66018987
   0.74885738  0.41036514  0.67478872
   0.74513790  0.06380806  0.95627574
   0.46750755  0.09782071  0.96010191
   0.55826429  0.55846938  0.07171673
   0.87510197  0.66066872  0.27080948
   0.59230237  0.80946917  0.02375743
   0.86554162  0.93523820  0.31659043
   0.92776593  0.84596855  0.14090796
   0.67094585  0.81045211  0.20652673
   0.78894964  0.68358152  0.44355476
   0.57646366  0.57590797  0.37670825
   0.61486196  0.59854555  0.56525465
   0.80088273  0.71121090  0.79532888
   0.55797720  0.83593028  0.43868122
   0.90904626  0.95338088  0.82090576
   0.93463005  0.83259374  0.65588555
   0.67696330  0.93315124  0.72402082
   0.78217030  0.64565580  0.97862540
   0.54412652  0.62137456  0.88888848
   0.69854966  0.80366142  0.56982422
   0.46568061  0.82442420  0.46650808
   0.85949971  0.20427672  0.07109612
   0.68071523  0.49268021  0.25876038
   0.29460824  0.11937394  0.64825138
   0.24794231  0.74134616  0.76425318
   0.14842759  1.10552219  0.17931736
   0.21236954  1.12113309  0.05123463
   0.63571307  0.41026441  0.83326305
   0.92426196  0.47184605  0.65038550
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901716    0.422280   -0.193410
    -0.000000    9.885749   -0.045663
    -0.000000    0.000000   13.923223
   Si   O    H 
    32    64    10
Direct configuration=  2276
   0.14509873  0.19644782 -0.03133950
   0.33382156  0.09102999  0.37502538
   0.13265038  0.42567292  0.09926636
   0.37325854  0.33190515  0.23693936
   0.07085666  0.15524186  0.49556347
   0.38900450  0.12989108  0.85538842
   0.14196744  0.42512177  0.61450069
   0.38085953  0.37367968  0.74486233
   0.13920621  0.69620789 -0.01152203
   0.41874132  0.57235078  0.34834564
   0.07861813  0.89219594  0.13357264
   0.34448166  0.82404748  0.24702471
   0.17464067  0.65475112  0.47879314
   0.38436142  0.61874889  0.86495072
   0.07235529  0.89550481  0.61732999
   0.33908905  0.98200219  0.68831044
   0.61146493  0.13511074  1.01037710
   0.84531821  0.09796724  0.34081621
   0.62137200  0.40805545  0.10759060
   0.88414374  0.27332971  0.15947390
   0.60663848  0.17073430  0.47850565
   0.87436509  0.08579115  0.88554701
   0.61502164  0.43492006  0.59999820
   0.77557895  0.37842193  0.78956516
   0.62138851  0.65454581 -0.00602112
   0.89595766  0.57906493  0.37692316
   0.58823153  0.90012110  0.12562581
   0.83985188  0.81269136  0.23821682
   0.63874886  0.68035282  0.46025916
   0.87788653  0.62839684  0.88105424
   0.61868736  0.91993801  0.61639615
   0.83279820  0.85991548  0.74328001
   0.06594414  0.05896569  0.16216451
   0.33223881  0.17708755  0.26366988
   0.12041939  0.36122308 -0.01421381
   0.36528311  0.42881762  0.33389422
   0.51795228  0.34136219  0.18585265
   0.28948277  0.38664281  0.13451460
   0.21556906  0.10049096  0.45113255
  -0.03004634  0.14280213  0.40769887
   0.03082088  0.04653015  0.58145043
   0.47289202  0.24050908  0.79610528
   0.08478840  0.31703153  0.53087736
   0.35027608  0.46217549  0.83607648
   0.47211541  0.43294518  0.66146836
   0.23387905  0.33987474  0.69414850
   0.22545050  0.18592100 -0.13696551
   0.00754537  0.12247405  0.94388409
   0.10354976  0.59208889  0.08056617
   0.40003330  0.67427017  0.25862931
   0.12133245  0.85499336  0.02930346
   0.35049789  0.93373602  0.33310919
   0.43309804  0.89779524  0.16611490
   0.18969584  0.81191017  0.20833349
   0.32148197  0.64559960  0.42721724
   0.05296002  0.59566101  0.41069442
   0.21215542  0.55557658  0.57798847
   0.34952525  0.70274547  0.76496640
   0.13293956  0.81258014  0.52093449
   0.38733241  0.98893543  0.79889502
   0.45100433  0.91017440  0.61779158
   0.18712315  0.90941859  0.70041296
   0.29169028  0.65479266 -0.04053087
   0.02731340  0.67992931  0.90348718
   0.61572607  0.05340846  0.11363089
   0.84729664  0.16943312  0.24474331
   0.61057787  0.29839501  0.02271991
   0.87877793  0.41923529  0.37583765
   0.03700578  0.33862713  0.16646554
   0.77863945  0.41255981  0.15662091
   0.69548324  0.13395132  0.38512849
   0.45966873  0.14565230  0.43612043
   0.63747231  0.06195206  0.56418645
   0.82703069  0.21315668  0.81616633
   0.60923729  0.32279530  0.51618227
   0.88679006  0.47148760  0.84470412
   1.00636033  0.49674619  0.66093183
   0.74877157  0.40931706  0.67525650
   0.74447304  0.06343794  0.95545861
   0.46824152  0.09594342  0.96066619
   0.55743753  0.55844396  0.07225706
   0.87550883  0.66174007  0.27065079
   0.59177248  0.80849191  0.02375190
   0.86473716  0.93396539  0.31626118
   0.92815648  0.84713219  0.14106965
   0.67090316  0.80937077  0.20548740
   0.78779434  0.68340879  0.44239793
   0.57531777  0.57738348  0.37560640
   0.61613411  0.59889849  0.56442865
   0.80226216  0.71105030  0.79510542
   0.55847244  0.83482553  0.43961066
   0.90821514  0.95268214  0.82170652
   0.93235778  0.83403867  0.65493122
   0.67941692  0.93305082  0.72496163
   0.78137855  0.64475500  0.97866630
   0.54588476  0.62207579  0.88891475
   0.69988285  0.81114888  0.57038107
   0.46633668  0.82741081  0.46904097
   0.85863909  0.21072829  0.07289482
   0.67646638  0.50131513  0.25482967
   0.29546670  0.12008479  0.64503157
   0.25574541  0.73932013  0.76597315
   0.15213724  1.10634038  0.18303571
   0.21323461  1.11346775  0.05603022
   0.64422813  0.40667212  0.83378618
   0.91029057  0.45948496  0.64616111
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901647    0.421738   -0.193953
    -0.000000    9.882782   -0.045568
    -0.000000    0.000000   13.922546
   Si   O    H 
    32    64    10
Direct configuration=  2277
   0.14396506  0.19611864 -0.03152782
   0.33367816  0.09072015  0.37429747
   0.13313950  0.42557658  0.09938202
   0.37151845  0.33167756  0.23637579
   0.06956302  0.15567829  0.49597368
   0.38862027  0.13106866  0.85588397
   0.14154584  0.42552024  0.61485130
   0.38121248  0.37438679  0.74443916
   0.13911521  0.69603326 -0.01219385
   0.41820927  0.57052795  0.34912247
   0.07937645  0.89254513  0.13442073
   0.34464077  0.82449681  0.24658205
   0.17436351  0.65477875  0.47919173
   0.38509373  0.62008886  0.86637968
   0.07108436  0.89697179  0.61720278
   0.33898925  0.98221536  0.68874176
   0.61058772  0.13568507  1.01010029
   0.84510190  0.09687793  0.34148398
   0.62135357  0.40738671  0.10769543
   0.88397798  0.27236318  0.16052153
   0.60715321  0.17083318  0.47866427
   0.87508803  0.08542356  0.88528502
   0.61531041  0.43376129  0.59918325
   0.77595275  0.37966744  0.78888722
   0.62142882  0.65615294 -0.00705495
   0.89469470  0.57951327  0.37561584
   0.58857363  0.90084980  0.12613048
   0.83864262  0.81235671  0.23800090
   0.63921707  0.67993818  0.46060928
   0.87830029  0.62924986  0.88120325
   0.61859355  0.91978966  0.61648022
   0.83394198  0.85827992  0.74337045
   0.06436484  0.06042919  0.16288858
   0.33265084  0.17621236  0.26459220
   0.12079554  0.36113296 -0.01412217
   0.36461041  0.42815086  0.33366284
   0.51597899  0.34132460  0.18539646
   0.29056693  0.38763130  0.13565321
   0.21642249  0.10222939  0.45157488
  -0.03010947  0.14259354  0.40606137
   0.03175185  0.04673391  0.57985661
   0.47425274  0.24083300  0.79564433
   0.08427064  0.31721696  0.53017124
   0.35083401  0.46502940  0.83614447
   0.47076636  0.43466328  0.66113229
   0.23529298  0.34184439  0.69441856
   0.22702020  0.18638522 -0.13730703
   0.00902061  0.12229791  0.94292445
   0.10274924  0.59151393  0.07884815
   0.39965006  0.67444421  0.25762878
   0.12026437  0.85580102  0.02909417
   0.34893167  0.93575150  0.33303831
   0.43151560  0.89689276  0.16449362
   0.18870378  0.81218387  0.20694042
   0.32092184  0.64565485  0.42701179
   0.05279352  0.59613426  0.41045138
   0.21355148  0.55485670  0.57784816
   0.34976836  0.70136663  0.76417901
   0.13228770  0.81115385  0.51971241
   0.38819979  0.98756488  0.79771195
   0.45056143  0.90900706  0.61690421
   0.18695282  0.90942308  0.70054252
   0.29204878  0.65338008 -0.03872977
   0.02846094  0.68109360  0.90230396
   0.61577278  0.05408860  0.11498381
   0.84909456  0.16858688  0.24480042
   0.61218538  0.29901337  0.02304641
   0.87924534  0.41764962  0.37702047
   0.03747372  0.33994570  0.16760890
   0.77857680  0.41169978  0.15627950
   0.69464826  0.13520102  0.38574027
   0.46065540  0.14546942  0.43764582
   0.63698321  0.06204578  0.56438404
   0.82537539  0.21304981  0.81821813
   0.60861636  0.32134413  0.51649661
   0.88588978  0.47136660  0.84504855
   1.00519818  0.49697273  0.66118031
   0.74817420  0.40808688  0.67555651
   0.74417019  0.06391940  0.95453272
   0.46844782  0.09473666  0.96075382
   0.55614705  0.55786352  0.07290429
   0.87594399  0.66263421  0.27058447
   0.59181135  0.80766919  0.02401371
   0.86459920  0.93194416  0.31627417
   0.92850561  0.84835593  0.14208760
   0.67161715  0.80781370  0.20419573
   0.78740275  0.68244320  0.44147904
   0.57440915  0.57841397  0.37466298
   0.61754622  0.59841102  0.56349203
   0.80403003  0.71131069  0.79438561
   0.55847251  0.83283262  0.44017492
   0.90751280  0.95211699  0.82267855
   0.93011451  0.83542300  0.65443920
   0.68183724  0.93421158  0.72582180
   0.78102777  0.64332485  0.97842953
   0.54755736  0.62361453  0.88939242
   0.70467511  0.81585103  0.56990507
   0.46918225  0.83066680  0.46672535
   0.85727266  0.21476640  0.06872175
   0.67890723  0.50665439  0.25181512
   0.29839406  0.11762587  0.64554519
   0.26231000  0.73797284  0.76605073
   0.14802202  1.10507208  0.18528478
   0.21436024  1.10878216  0.05709174
   0.65099113  0.40021069  0.83380756
   0.90517586  0.44902427  0.64290272
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901532    0.421124   -0.194384
    -0.000000    9.879711   -0.045347
    -0.000000    0.000000   13.922293
   Si   O    H 
    32    64    10
Direct configuration=  2278
   0.14367378  0.19652673 -0.03186938
   0.33370732  0.09040784  0.37379595
   0.13328027  0.42536975  0.09955311
   0.37012874  0.33111438  0.23550382
   0.06859385  0.15605616  0.49599469
   0.38839463  0.13171655  0.85629446
   0.14091004  0.42521696  0.61510040
   0.38182187  0.37452702  0.74430896
   0.13882945  0.69561375 -0.01233157
   0.41791972  0.57016755  0.34940469
   0.08037390  0.89283359  0.13573084
   0.34464098  0.82602235  0.24615557
   0.17401771  0.65457929  0.47945446
   0.38615390  0.62185095  0.86745890
   0.06983304  0.89851767  0.61698427
   0.33906897  0.98257326  0.68900703
   0.61007776  0.13599019  1.00996324
   0.84446896  0.09596063  0.34249368
   0.62071465  0.40637430  0.10806333
   0.88406654  0.27203950  0.16155251
   0.60801856  0.17051135  0.47877884
   0.87510916  0.08502872  0.88498479
   0.61488790  0.43301982  0.59899123
   0.77626375  0.38059384  0.78823263
   0.62193687  0.65800157 -0.00821936
   0.89328956  0.57991929  0.37451638
   0.58855904  0.90050458  0.12614576
   0.83750955  0.81212442  0.23833765
   0.63889801  0.68002230  0.46081191
   0.87816148  0.63055979  0.88099793
   0.61898843  0.92049134  0.61686355
   0.83465926  0.85645913  0.74408636
   0.06291587  0.06229201  0.16367593
   0.33293008  0.17558708  0.26482400
   0.12169023  0.36100127 -0.01344749
   0.36375857  0.42633844  0.33331315
   0.51508858  0.34141391  0.18527010
   0.29162873  0.38835517  0.13600367
   0.21773855  0.10347040  0.45206401
  -0.02987913  0.14243186  0.40521223
   0.03260312  0.04705337  0.57833088
   0.47578377  0.24202963  0.79575659
   0.08342861  0.31806212  0.52975096
   0.35114647  0.46764008  0.83641197
   0.47041803  0.43747356  0.66084991
   0.23632461  0.34359596  0.69474440
   0.22902891  0.18652599 -0.13748245
   0.01042134  0.12189074  0.94264373
   0.10216170  0.59052477  0.07717130
   0.39932258  0.67410620  0.25747102
   0.11992451  0.85601152  0.02835813
   0.34809752  0.93787096  0.33259191
   0.43072169  0.89583502  0.16276843
   0.18787644  0.81190725  0.20600952
   0.32005651  0.64651822  0.42678275
   0.05334207  0.59675574  0.41035739
   0.21493594  0.55425703  0.57712301
   0.34975533  0.69950881  0.76398702
   0.13134895  0.80941990  0.51876899
   0.38961359  0.98692084  0.79681773
   0.45056534  0.90773426  0.61658006
   0.18664465  0.90982443  0.69987964
   0.29214168  0.65298847 -0.03751159
   0.02904544  0.68246277  0.90167227
   0.61634194  0.05479933  0.11564513
   0.85157055  0.16835691  0.24413876
   0.61352378  0.29972662  0.02273966
   0.87927304  0.41659578  0.37782829
   0.03745797  0.34086094  0.16812372
   0.77871891  0.41054382  0.15595141
   0.69515552  0.13636616  0.38637995
   0.46104523  0.14529876  0.43897659
   0.63616141  0.06246489  0.56486198
   0.82370001  0.21306231  0.81991094
   0.60768848  0.32011882  0.51696190
   0.88442940  0.47154722  0.84529722
   1.00217304  0.49726392  0.66164837
   0.74634147  0.40584153  0.67534154
   0.74330737  0.06479399  0.95363320
   0.46796036  0.09447403  0.96036829
   0.55495181  0.55724493  0.07425866
   0.87618854  0.66355475  0.27037149
   0.59169405  0.80710401  0.02452014
   0.86507735  0.92990295  0.31642956
   0.92873568  0.84922276  0.14324552
   0.67270673  0.80714836  0.20255430
   0.78892932  0.68141922  0.44030273
   0.57351627  0.57929474  0.37398993
   0.61852791  0.59742327  0.56281460
   0.80569817  0.71194052  0.79359672
   0.55932118  0.83064186  0.44061034
   0.90739456  0.95146706  0.82388794
   0.92811080  0.83611289  0.65356790
   0.68395481  0.93543152  0.72700425
   0.78064340  0.64172520  0.97822496
   0.54829028  0.62547291  0.88986956
   0.70817013  0.82216404  0.57111340
   0.46907167  0.83394008  0.46312182
   0.85847146  0.21688701  0.06133224
   0.68203307  0.50970645  0.24731649
   0.30342778  0.11460745  0.64825422
   0.25780629  0.74009469  0.76643207
   0.14234488  1.10215716  0.18784298
   0.21552879  1.10886200  0.05302739
   0.65563315  0.39352836  0.83435789
   0.91041451  0.44100744  0.64128789
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901314    0.420217   -0.194947
    -0.000000    9.876559   -0.045141
    -0.000000    0.000000   13.922190
   Si   O    H 
    32    64    10
Direct configuration=  2279
   0.14396887  0.19702652 -0.03245873
   0.33498795  0.09053918  0.37330966
   0.13303763  0.42555870  0.09955121
   0.36862262  0.33064129  0.23445912
   0.06785153  0.15580036  0.49539019
   0.38830122  0.13119862  0.85666146
   0.13939995  0.42468594  0.61545499
   0.38262941  0.37424730  0.74457549
   0.13880762  0.69546450 -0.01231541
   0.41785211  0.57054258  0.34961577
   0.08080498  0.89362320  0.13707321
   0.34412985  0.82724541  0.24579898
   0.17342685  0.65420014  0.47976005
   0.38746808  0.62381330  0.86830623
   0.06896314  0.89938287  0.61673757
   0.33928873  0.98292706  0.68908501
   0.60964345  0.13678153  1.01010047
   0.84386231  0.09479245  0.34310305
   0.61959764  0.40564643  0.10889402
   0.88409412  0.27185245  0.16207781
   0.60883527  0.16960623  0.47851376
   0.87505803  0.08525134  0.88477006
   0.61432614  0.43237097  0.59922285
   0.77728852  0.38089353  0.78782596
   0.62211585  0.65957162 -0.00942425
   0.89203742  0.58006969  0.37357827
   0.58806385  0.89967980  0.12579569
   0.83668353  0.81261166  0.23840531
   0.63762052  0.67951672  0.46091514
   0.87809650  0.63132871  0.88105415
   0.61885254  0.92175077  0.61723842
   0.83529738  0.85522958  0.74450055
   0.06138449  0.06318939  0.16398006
   0.33316816  0.17521739  0.26510145
   0.12188328  0.36025859 -0.01309988
   0.36327737  0.42357154  0.33220472
   0.51507045  0.34070959  0.18467013
   0.29117481  0.38780714  0.13633264
   0.21841698  0.10525560  0.45262991
  -0.02987211  0.14258914  0.40512386
   0.03335239  0.04762935  0.57657116
   0.47769633  0.24360385  0.79586035
   0.08268793  0.31771527  0.52941480
   0.35064751  0.47072400  0.83679453
   0.47078989  0.43952821  0.66027328
   0.23730990  0.34486900  0.69483633
   0.23118404  0.18644565 -0.13768483
   0.01132495  0.12132338  0.94244165
   0.10219059  0.58984110  0.07511403
   0.39944622  0.67341121  0.25758496
   0.12012073  0.85599065  0.02728571
   0.34737279  0.94087879  0.33240137
   0.43013287  0.89553479  0.16140566
   0.18698250  0.81194307  0.20553432
   0.31925680  0.64755978  0.42680812
   0.05333037  0.59793136  0.41099324
   0.21553532  0.55392303  0.57600538
   0.35018262  0.69801725  0.76409321
   0.13060563  0.80762571  0.51798251
   0.39077337  0.98619171  0.79611868
   0.45003152  0.90690082  0.61626810
   0.18629670  0.91060892  0.69919921
   0.29266971  0.65221635 -0.03611606
   0.02969254  0.68365812  0.90139171
   0.61655315  0.05568182  0.11649727
   0.85447049  0.16873710  0.24364549
   0.61376889  0.30038180  0.02249532
   0.87875541  0.41644831  0.37839974
   0.03769224  0.34107991  0.16879445
   0.77838778  0.40952215  0.15530282
   0.69608842  0.13706785  0.38690881
   0.46140109  0.14522413  0.43927040
   0.63538505  0.06401271  0.56541945
   0.82188189  0.21475023  0.82067478
   0.60658953  0.31932773  0.51705793
   0.88337555  0.47147482  0.84583016
   0.99925749  0.49778618  0.66227026
   0.74439203  0.40458998  0.67454851
   0.74280308  0.06522856  0.95318845
   0.46767379  0.09423953  0.95979339
   0.55463394  0.55680939  0.07586744
   0.87647879  0.66419976  0.27013019
   0.59245874  0.80675307  0.02456803
   0.86527554  0.92871889  0.31737152
   0.92914268  0.84991230  0.14480736
   0.67415332  0.80709788  0.20106633
   0.79149207  0.68027964  0.43950001
   0.57306125  0.58042113  0.37361127
   0.61923756  0.59659986  0.56220431
   0.80656651  0.71213610  0.79329757
   0.56043737  0.82833926  0.44173108
   0.90766965  0.95101083  0.82512050
   0.92566055  0.83783781  0.65255005
   0.68561119  0.93712299  0.72790766
   0.78031550  0.64073072  0.97770563
   0.54779741  0.62760271  0.89009775
   0.70836408  0.82553372  0.57285896
   0.46407509  0.83527346  0.46063412
   0.85976893  0.22001154  0.05719155
   0.68299130  0.51300372  0.24138621
   0.31040635  0.11655895  0.65041250
   0.25640789  0.74318804  0.76595769
   0.14239231  1.10377650  0.18991982
   0.21176521  1.11313421  0.04761109
   0.65422013  0.38672534  0.83663267
   0.92284262  0.44066063  0.64361896
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901469    0.419539   -0.195525
    -0.000000    9.873160   -0.045397
    -0.000000    0.000000   13.922182
   Si   O    H 
    32    64    10
Direct configuration=  2280
   0.14514658  0.19699831 -0.03294134
   0.33608634  0.09107179  0.37299664
   0.13254670  0.42590951  0.09939088
   0.36772506  0.33011224  0.23343789
   0.06753693  0.15540359  0.49496515
   0.38832028  0.13021476  0.85702967
   0.13808914  0.42397698  0.61588829
   0.38342992  0.37472807  0.74471838
   0.13848731  0.69504320 -0.01180172
   0.41698712  0.57119214  0.34984285
   0.08094501  0.89472476  0.13774737
   0.34368232  0.82881324  0.24560906
   0.17269918  0.65396257  0.47976127
   0.38893763  0.62524162  0.86855931
   0.06822664  0.90001663  0.61614565
   0.33901256  0.98350334  0.68924267
   0.60940748  0.13729374  1.01010868
   0.84300355  0.09342859  0.34393380
   0.61820391  0.40518378  0.10973791
   0.88409766  0.27173711  0.16247222
   0.60964050  0.16909948  0.47813184
   0.87421794  0.08544084  0.88474672
   0.61416487  0.43206663  0.59963400
   0.77818718  0.38051622  0.78760133
   0.62281238  0.66016049 -0.01052625
   0.89085438  0.58055281  0.37283712
   0.58677774  0.89895032  0.12526634
   0.83548032  0.81335168  0.23768683
   0.63576813  0.67860057  0.46038035
   0.87828124  0.63218605  0.88110541
   0.61931876  0.92273068  0.61737283
   0.83532360  0.85411539  0.74515883
   0.06124957  0.06386194  0.16437055
   0.33340931  0.17485346  0.26611654
   0.12210342  0.35931920 -0.01254324
   0.36280043  0.42081075  0.33080930
   0.51513497  0.34050308  0.18461102
   0.29034249  0.38681855  0.13670595
   0.21818380  0.10720294  0.45297264
  -0.02979609  0.14242606  0.40522605
   0.03379179  0.04820839  0.57483378
   0.47874588  0.24517944  0.79567774
   0.08122196  0.31692585  0.52922796
   0.35059700  0.47367841  0.83697628
   0.47163593  0.44181944  0.65960371
   0.23772818  0.34641523  0.69460652
   0.23279846  0.18556177 -0.13777870
   0.01232583  0.12040445  0.94253132
   0.10137587  0.58935035  0.07354168
   0.40014462  0.67299501  0.25812536
   0.12016153  0.85511386  0.02647815
   0.34692488  0.94369316  0.33254078
   0.42962638  0.89521733  0.16011958
   0.18564199  0.81158944  0.20622825
   0.31858931  0.64843000  0.42711185
   0.05346638  0.59906069  0.41101243
   0.21552925  0.55300821  0.57519885
   0.35082002  0.69704792  0.76460480
   0.12949651  0.80721427  0.51796063
   0.39193592  0.98587844  0.79595749
   0.44997116  0.90553200  0.61601868
   0.18678121  0.91085204  0.69886032
   0.29377616  0.65215951 -0.03521057
   0.02993196  0.68455887  0.90120553
   0.61728266  0.05755705  0.11711780
   0.85652394  0.16994118  0.24294721
   0.61342857  0.30107570  0.02171876
   0.87800892  0.41647142  0.37924046
   0.03756017  0.34223802  0.16896193
   0.77785321  0.40872162  0.15511045
   0.69711853  0.13755310  0.38711525
   0.46072747  0.14481899  0.44004346
   0.63513726  0.06530759  0.56597728
   0.82033283  0.21630268  0.82100697
   0.60643347  0.31899943  0.51701940
   0.88094831  0.47216967  0.84665826
   0.99686375  0.49733986  0.66298891
   0.74260764  0.40378610  0.67330943
   0.74188941  0.06581395  0.95259512
   0.46766085  0.09315713  0.95924319
   0.55514313  0.55619519  0.07735793
   0.87671755  0.66511423  0.27062815
   0.59341217  0.80732838  0.02436326
   0.86580589  0.92744561  0.31886572
   0.92930835  0.85061965  0.14654048
   0.67675640  0.80664265  0.20003632
   0.79472899  0.67890827  0.43844583
   0.57299325  0.58141099  0.37353838
   0.61985145  0.59566513  0.56159517
   0.80791171  0.71224846  0.79251904
   0.56128695  0.82627997  0.44313128
   0.90736561  0.95047063  0.82526039
   0.92389495  0.83878424  0.65136344
   0.68615450  0.93861995  0.72807938
   0.78103190  0.63960083  0.97669155
   0.54730629  0.63044541  0.89034114
   0.70910928  0.82536579  0.57512766
   0.46333038  0.83667515  0.45602519
   0.86387571  0.22479750  0.05820475
   0.68218239  0.51475054  0.23323140
   0.31692139  0.11914420  0.65179303
   0.26032277  0.74402618  0.76371000
   0.14593923  1.10877362  0.19351047
   0.20562902  1.12138116  0.03937791
   0.64791225  0.38067923  0.83829704
   0.93426980  0.44036283  0.64540039
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901976    0.418744   -0.196503
    -0.000000    9.869643   -0.045486
    -0.000000    0.000000   13.922136
   Si   O    H 
    32    64    10
Direct configuration=  2281
   0.14638056  0.19705842 -0.03374682
   0.33768464  0.09219168  0.37254471
   0.13252372  0.42584080  0.09886704
   0.36693936  0.33005550  0.23260479
   0.06805651  0.15487507  0.49449894
   0.38853932  0.12886917  0.85762050
   0.13677242  0.42358177  0.61606919
   0.38445428  0.37488949  0.74495833
   0.13846232  0.69557823 -0.01180814
   0.41569662  0.57151769  0.34967078
   0.08100867  0.89617113  0.13879940
   0.34355388  0.82984843  0.24531757
   0.17170481  0.65372707  0.47980486
   0.38990569  0.62611882  0.86857258
   0.06711210  0.90058271  0.61523748
   0.33847572  0.98361355  0.68903167
   0.60907435  0.13793132  1.01053144
   0.84153281  0.09256991  0.34452156
   0.61702661  0.40471130  0.11047902
   0.88434327  0.27167865  0.16239928
   0.61060463  0.16873470  0.47768534
   0.87285346  0.08636531  0.88439617
   0.61355060  0.43244085  0.60007134
   0.77936627  0.37975682  0.78738139
   0.62356808  0.66003748 -0.01105048
   0.88970580  0.58046693  0.37226134
   0.58533602  0.89858006  0.12455222
   0.83430735  0.81384858  0.23708089
   0.63383297  0.67698022  0.45971898
   0.87810215  0.63241421  0.88115547
   0.61921958  0.92420691  0.61749749
   0.83467131  0.85353568  0.74576744
   0.06161072  0.06452396  0.16496494
   0.33347333  0.17479189  0.26666040
   0.12279330  0.35875912 -0.01258158
   0.36335217  0.41910081  0.32960080
   0.51528931  0.34007497  0.18406612
   0.28927488  0.38621012  0.13720316
   0.21768603  0.10896275  0.45309588
  -0.03030119  0.14250749  0.40509663
   0.03301576  0.04862386  0.57296666
   0.47974626  0.24661572  0.79571875
   0.07963267  0.31606698  0.52921421
   0.35109353  0.47556185  0.83737750
   0.47287787  0.44328426  0.65920345
   0.23746676  0.34767482  0.69451023
   0.23311913  0.18481046 -0.13751500
   0.01269445  0.11959363  0.94246998
   0.10100121  0.58860370  0.07274417
   0.40104487  0.67223785  0.25876159
   0.12044501  0.85472677  0.02553947
   0.34633732  0.94551264  0.33312150
   0.42924594  0.89458032  0.15874456
   0.18484851  0.81138868  0.20733645
   0.31847500  0.64918061  0.42699849
   0.05384558  0.60048585  0.41073797
   0.21446790  0.55297895  0.57477095
   0.35122488  0.69589749  0.76557240
   0.12873877  0.80702252  0.51783643
   0.39385372  0.98584281  0.79623473
   0.45013757  0.90368222  0.61618030
   0.18719842  0.91149846  0.69860105
   0.29412267  0.65239866 -0.03406012
   0.02986438  0.68513591  0.90070211
   0.61788295  0.05879008  0.11807122
   0.85804473  0.16973316  0.24325224
   0.61263526  0.30136521  0.02084368
   0.87735713  0.41650993  0.37936905
   0.03744577  0.34298492  0.16903654
   0.77707428  0.40707098  0.15472871
   0.69783592  0.13795019  0.38683090
   0.46037566  0.14409855  0.44009664
   0.63588060  0.06655350  0.56698608
   0.81906629  0.21763874  0.82033453
   0.60553013  0.31828972  0.51724805
   0.87895347  0.47248154  0.84731067
   0.99540004  0.49809959  0.66340941
   0.74134623  0.40259036  0.67207018
   0.74006797  0.06652322  0.95218533
   0.46755689  0.09214006  0.95773505
   0.55664401  0.55498850  0.07776730
   0.87827406  0.66601560  0.27080596
   0.59363713  0.80878391  0.02440827
   0.86654370  0.92636328  0.32062477
   0.92923857  0.85056369  0.14819578
   0.67891755  0.80752205  0.19926332
   0.79751641  0.67823633  0.43738427
   0.57269613  0.58222495  0.37397402
   0.62039594  0.59510351  0.56094852
   0.80843593  0.71221867  0.79213144
   0.56180251  0.82440826  0.44435058
   0.90733551  0.94989344  0.82536351
   0.92294216  0.84034274  0.65024409
   0.68709800  0.93965261  0.72787515
   0.78214668  0.63846473  0.97605421
   0.54736638  0.63309410  0.89060116
   0.71349651  0.81857031  0.57530614
   0.46416181  0.83536585  0.45107194
   0.86878543  0.23064236  0.06177886
   0.68444239  0.51492730  0.22568622
   0.32174409  0.11701327  0.65248516
   0.26513515  0.74593619  0.76062266
   0.14075908  1.11122772  0.19398897
   0.20774687  1.12614489  0.03761872
   0.64336592  0.37522560  0.83718205
   0.92585352  0.42693576  0.64376278
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902741    0.417765   -0.197339
    -0.000000    9.866076   -0.045480
    -0.000000    0.000000   13.922271
   Si   O    H 
    32    64    10
Direct configuration=  2282
   0.14715659  0.19732323 -0.03488449
   0.33940874  0.09367776  0.37292107
   0.13233728  0.42594017  0.09778600
   0.36673389  0.32983977  0.23180670
   0.06898286  0.15527439  0.49400638
   0.38917314  0.12830089  0.85826121
   0.13559233  0.42331384  0.61552271
   0.38571938  0.37466756  0.74563612
   0.13836706  0.69710253 -0.01167706
   0.41495805  0.57177050  0.34975907
   0.08114680  0.89794699  0.13996963
   0.34351177  0.83143957  0.24498423
   0.17056434  0.65319412  0.48037893
   0.39042193  0.62640745  0.86847969
   0.06612535  0.90142046  0.61463488
   0.33751282  0.98319784  0.68866390
   0.60866899  0.13805994  1.01069533
   0.84049856  0.09194375  0.34476159
   0.61583807  0.40420564  0.11158294
   0.88450588  0.27216314  0.16248397
   0.61116614  0.16865303  0.47707242
   0.87127635  0.08799262  0.88388704
   0.61295706  0.43283706  0.60047845
   0.78023826  0.37919660  0.78773247
   0.62447992  0.65996844 -0.01141181
   0.88880150  0.58098435  0.37199544
   0.58407269  0.89794411  0.12357274
   0.83361799  0.81426554  0.23619412
   0.63200898  0.67530806  0.45913393
   0.87810393  0.63227576  0.88127093
   0.61828261  0.92553974  0.61755560
   0.83402143  0.85310986  0.74648728
   0.06237948  0.06397480  0.16557064
   0.33261364  0.17506260  0.26766977
   0.12383615  0.35867547 -0.01207607
   0.36416014  0.41758926  0.32965811
   0.51569774  0.33962974  0.18359473
   0.28845941  0.38569334  0.13787394
   0.21802604  0.11101327  0.45300305
  -0.03199915  0.14260627  0.40512139
   0.03246950  0.04889861  0.57142129
   0.47933927  0.24746252  0.79661880
   0.07858296  0.31554176  0.52960758
   0.35156318  0.47607172  0.83742506
   0.47418669  0.44429815  0.65908162
   0.23703732  0.34857592  0.69459850
   0.23349958  0.18454880 -0.13698118
   0.01295446  0.11873155  0.94251419
   0.09987550  0.58800188  0.07152691
   0.40124461  0.67129203  0.25914699
   0.12149902  0.85461021  0.02451355
   0.34597091  0.94603708  0.33328122
   0.42827684  0.89417039  0.15770713
   0.18356629  0.81098331  0.20903695
   0.31833522  0.64941267  0.42627410
   0.05414064  0.60166947  0.41065358
   0.21246205  0.55319661  0.57406302
   0.35037791  0.69600834  0.76728130
   0.12837780  0.80722840  0.51808401
   0.39564073  0.98588207  0.79718459
   0.45067018  0.90180236  0.61671932
   0.18787295  0.91217843  0.69810744
   0.29428271  0.65222220 -0.03325597
   0.02943695  0.68633966  0.90056806
   0.61754056  0.05965843  0.11826195
   0.85941090  0.16906067  0.24434418
   0.61301192  0.30160867  0.01938099
   0.87680449  0.41696211  0.37968375
   0.03644900  0.34396160  0.16955673
   0.77554971  0.40559978  0.15459846
   0.69938721  0.13814162  0.38667019
   0.45954243  0.14424788  0.43939769
   0.63610830  0.06777679  0.56810865
   0.81820944  0.21939850  0.81934844
   0.60444916  0.31849679  0.51769620
   0.87717367  0.47206665  0.84753409
   0.99432007  0.49833173  0.66352589
   0.74074761  0.40085946  0.67143135
   0.73776887  0.06798646  0.95152400
   0.46734126  0.09100749  0.95639114
   0.55841276  0.55400910  0.07825787
   0.87921702  0.66601344  0.27127501
   0.59313751  0.81067391  0.02482427
   0.86750286  0.92590323  0.32183662
   0.92901568  0.85018922  0.14928683
   0.68107368  0.80803327  0.19852126
   0.79943896  0.67776584  0.43733778
   0.57282954  0.58283080  0.37398576
   0.62133257  0.59424886  0.56081034
   0.80918874  0.71203080  0.79207956
   0.56238883  0.82316707  0.44520415
   0.90717815  0.94913607  0.82576443
   0.92244588  0.84070763  0.64993742
   0.68731043  0.94040253  0.72795708
   0.78363431  0.63680978  0.97508921
   0.54720283  0.63600484  0.89082277
   0.71678176  0.81337861  0.57581427
   0.46051059  0.83316658  0.44729598
   0.87876481  0.23324138  0.06514709
   0.68519197  0.51172384  0.21666976
   0.32326791  0.12019846  0.65004285
   0.27082205  0.75125938  0.75926415
   0.13608550  1.11355894  0.19058339
   0.21791471  1.12841001  0.03975315
   0.64114711  0.37274676  0.83726686
   0.92413285  0.42184275  0.64667352
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902975    0.417356   -0.198340
    -0.000000    9.862829   -0.045121
    -0.000000    0.000000   13.922200
   Si   O    H 
    32    64    10
Direct configuration=  2283
   0.14815005  0.19768352 -0.03669649
   0.34037290  0.09577822  0.37350983
   0.13257798  0.42632581  0.09687854
   0.36683135  0.32981744  0.23069845
   0.07015183  0.15636465  0.49321884
   0.38987515  0.12814588  0.85852065
   0.13421790  0.42299894  0.61467731
   0.38726206  0.37465867  0.74632418
   0.13854879  0.69793622 -0.01175087
   0.41390562  0.57230370  0.35000783
   0.08111909  0.90001161  0.14047652
   0.34346210  0.83239944  0.24468583
   0.16979748  0.65223750  0.48071861
   0.39076755  0.62696766  0.86859636
   0.06541953  0.90173308  0.61442843
   0.33723066  0.98312237  0.68829177
   0.60869026  0.13771595  1.01043463
   0.83989981  0.09137024  0.34513143
   0.61546626  0.40369734  0.11273398
   0.88481423  0.27264468  0.16281206
   0.61123450  0.16806966  0.47658646
   0.86953479  0.08917304  0.88344160
   0.61259519  0.43406994  0.60116368
   0.78039360  0.37842491  0.78816233
   0.62570248  0.65972651 -0.01141557
   0.88874222  0.58170985  0.37221685
   0.58244128  0.89678846  0.12283620
   0.83391440  0.81479375  0.23538400
   0.63028394  0.67319017  0.45859301
   0.87848609  0.63173307  0.88117598
   0.61739973  0.92638134  0.61763038
   0.83368048  0.85332069  0.74722946
   0.06222743  0.06334382  0.16600438
   0.33212082  0.17620162  0.26882683
   0.12407119  0.35850684 -0.01149679
   0.36506690  0.41600244  0.32952281
   0.51626711  0.33874708  0.18327860
   0.28752645  0.38560368  0.13802825
   0.21783612  0.11268747  0.45259933
  -0.03294540  0.14264548  0.40551972
   0.03114416  0.04907272  0.57017801
   0.47864156  0.24827403  0.79741136
   0.07757253  0.31497331  0.53006896
   0.35115786  0.47594556  0.83739287
   0.47518024  0.44459446  0.65885332
   0.23660012  0.34956763  0.69485697
   0.23379632  0.18393569 -0.13666493
   0.01293979  0.11804857  0.94219456
   0.09817169  0.58810455  0.07085056
   0.40182774  0.67122232  0.25921915
   0.12203659  0.85429619  0.02400887
   0.34646844  0.94552541  0.33379492
   0.42781667  0.89336289  0.15635856
   0.18246333  0.81026751  0.21062868
   0.31896387  0.65000349  0.42599036
   0.05396737  0.60295200  0.41018750
   0.21103872  0.55286543  0.57399449
   0.35017487  0.69567894  0.76864038
   0.12842328  0.80739059  0.51844603
   0.39821148  0.98607610  0.79854802
   0.45076122  0.89976502  0.61794979
   0.18840952  0.91211614  0.69750444
   0.29437721  0.65192882 -0.03213696
   0.02913321  0.68732112  0.89980411
   0.61727082  0.06035079  0.11825093
   0.86042983  0.16905888  0.24522056
   0.61353436  0.30117198  0.01803665
   0.87582989  0.41818526  0.38019852
   0.03556659  0.34421636  0.17016975
   0.77310999  0.40444376  0.15475918
   0.70084775  0.13868094  0.38650270
   0.45953078  0.14448497  0.43859057
   0.63651374  0.06927466  0.56898947
   0.81705636  0.22207965  0.81787241
   0.60354685  0.31890388  0.51840998
   0.87620289  0.47204264  0.84804630
   0.99323023  0.49768088  0.66335112
   0.73965994  0.40008616  0.67139883
   0.73618612  0.06915778  0.95103754
   0.46663835  0.08986130  0.95554449
   0.55979864  0.55325632  0.07862949
   0.87975090  0.66468460  0.27191446
   0.59401731  0.81260819  0.02504083
   0.86823323  0.92586980  0.32282297
   0.92888787  0.85036222  0.15058583
   0.68321518  0.80884273  0.19778634
   0.80037432  0.67826998  0.43701512
   0.57300903  0.58281908  0.37400691
   0.62261300  0.59320346  0.56013775
   0.80876599  0.71218565  0.79222884
   0.56193042  0.82252892  0.44574101
   0.90646331  0.94940205  0.82607431
   0.92217201  0.84166574  0.64968384
   0.68774581  0.94120424  0.72796236
   0.78552379  0.63545547  0.97447441
   0.54710218  0.63895058  0.89087798
   0.71238044  0.81116077  0.57585756
   0.46527195  0.83077373  0.44321327
   0.88670673  0.23831680  0.06491596
   0.68948647  0.51185627  0.21145644
   0.32553459  0.12179130  0.64772420
   0.27088063  0.76001659  0.75703535
   0.13627318  1.11607044  0.19138603
   0.23384725  1.12886884  0.04591665
   0.64369833  0.37480897  0.83530971
   0.92662755  0.42575421  0.65168926
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903097    0.417082   -0.199727
    -0.000000    9.859081   -0.043994
    -0.000000    0.000000   13.922203
   Si   O    H 
    32    64    10
Direct configuration=  2284
   0.14915898  0.19794940 -0.03875953
   0.34099069  0.09828051  0.37452906
   0.13315460  0.42639803  0.09553325
   0.36641938  0.32947710  0.22919305
   0.07139300  0.15799018  0.49260687
   0.39115464  0.12787555  0.85871560
   0.13257624  0.42294492  0.61409050
   0.38888476  0.37454111  0.74673301
   0.13892647  0.69911898 -0.01170264
   0.41335650  0.57316968  0.35022505
   0.08044996  0.90177158  0.14075448
   0.34332178  0.83297610  0.24456030
   0.16981333  0.65075703  0.48098087
   0.39083836  0.62722794  0.86884248
   0.06488057  0.90195501  0.61372594
   0.33711126  0.98257961  0.68782482
   0.60857589  0.13688648  1.00985330
   0.84032690  0.09046753  0.34521376
   0.61512531  0.40318281  0.11372379
   0.88499902  0.27326116  0.16345495
   0.61032754  0.16801802  0.47615343
   0.86802951  0.09072130  0.88299940
   0.61244720  0.43585834  0.60170151
   0.78030608  0.37770540  0.78863897
   0.62690331  0.65906502 -0.01129277
   0.88924597  0.58221989  0.37291929
   0.58109805  0.89549168  0.12228234
   0.83401768  0.81548729  0.23490181
   0.62939855  0.67048918  0.45804392
   0.87995753  0.63054305  0.88142158
   0.61659258  0.92673268  0.61770051
   0.83357995  0.85457350  0.74764844
   0.06213787  0.06221673  0.16658778
   0.33143482  0.17776214  0.26973946
   0.12452107  0.35748844 -0.01090660
   0.36632395  0.41408313  0.32896830
   0.51699883  0.33808904  0.18337991
   0.28648845  0.38601791  0.13805183
   0.21815176  0.11490473  0.45234600
  -0.03406354  0.14312979  0.40538218
   0.02955417  0.04899963  0.56933676
   0.47744742  0.24927644  0.79875895
   0.07709278  0.31394918  0.53053879
   0.35055278  0.47549826  0.83752443
   0.47560029  0.44493975  0.65918378
   0.23660516  0.35028119  0.69465310
   0.23464728  0.18358531 -0.13596527
   0.01297846  0.11784708  0.94169532
   0.09687804  0.58735944  0.07014539
   0.40202243  0.67175593  0.25928864
   0.12269844  0.85488314  0.02390414
   0.34655625  0.94519381  0.33404678
   0.42745694  0.89244292  0.15541778
   0.18214890  0.80956805  0.21225473
   0.32010098  0.65018609  0.42575272
   0.05366876  0.60393521  0.40953067
   0.20936873  0.55211574  0.57365498
   0.34955597  0.69609384  0.76977253
   0.12915089  0.80747117  0.51908803
   0.40044437  0.98592445  0.79942086
   0.45012245  0.89739042  0.61941166
   0.18831632  0.91179110  0.69703208
   0.29487953  0.65176180 -0.03167614
   0.02862563  0.68825259  0.89891954
   0.61654096  0.06129002  0.11799515
   0.86069949  0.16852247  0.24632755
   0.61341302  0.30165388  0.01699615
   0.87504083  0.41936728  0.38016582
   0.03366598  0.34448987  0.17070167
   0.77024992  0.40337294  0.15455415
   0.70190386  0.13907978  0.38656705
   0.45899863  0.14432939  0.43807508
   0.63697356  0.07121536  0.56959911
   0.81640974  0.22403246  0.81704321
   0.60311576  0.31911314  0.51892860
   0.87621854  0.47174352  0.84909911
   0.99217067  0.49637585  0.66284845
   0.74015317  0.39921179  0.67175033
   0.73527994  0.07034964  0.95070137
   0.46697667  0.08950925  0.95512173
   0.56105669  0.55321898  0.07829669
   0.88083681  0.66352238  0.27178689
   0.59452944  0.81429462  0.02519179
   0.86930191  0.92520823  0.32404115
   0.92900331  0.84986997  0.15136418
   0.68445313  0.80949887  0.19727181
   0.80100094  0.67881391  0.43728067
   0.57221548  0.58186650  0.37349419
   0.62296791  0.59187166  0.55944358
   0.80855612  0.71144819  0.79242202
   0.56161627  0.82147345  0.44608647
   0.90521462  0.95010664  0.82598614
   0.92279015  0.84282224  0.64992356
   0.68809151  0.94133118  0.72774926
   0.78755148  0.63450036  0.97410238
   0.54796091  0.64105424  0.89060954
   0.70505203  0.81142024  0.57563990
   0.46738251  0.82927734  0.44068506
   0.89019861  0.24178261  0.06398138
   0.69491704  0.51533801  0.21317786
   0.32593587  0.12407358  0.64531010
   0.27287143  0.76522820  0.75647608
   0.13838638  1.11737366  0.19229987
   0.24636213  1.13144875  0.05077222
   0.65251628  0.38167714  0.83212814
   0.93013791  0.43123918  0.65579956
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902975    0.416415   -0.201137
    -0.000000    9.855276   -0.042564
    -0.000000    0.000000   13.922015
   Si   O    H 
    32    64    10
Direct configuration=  2285
   0.15037540  0.19791458 -0.04026729
   0.34139818  0.10059316  0.37490684
   0.13306140  0.42627158  0.09460552
   0.36662814  0.32872339  0.22843585
   0.07303399  0.15950725  0.49188880
   0.39239015  0.12749879  0.85842875
   0.13097994  0.42263593  0.61377606
   0.39027767  0.37403465  0.74646145
   0.13918377  0.70022822 -0.01146362
   0.41342496  0.57407498  0.35049874
   0.08013378  0.90305693  0.14083383
   0.34300513  0.83323292  0.24430451
   0.16988203  0.64917937  0.48126710
   0.39054577  0.62809178  0.86865909
   0.06427720  0.90186823  0.61277667
   0.33743166  0.98255686  0.68763521
   0.60761595  0.13599133  1.00899851
   0.84127661  0.08965867  0.34527979
   0.61536376  0.40270811  0.11450788
   0.88529091  0.27388075  0.16426410
   0.60901467  0.16755121  0.47584783
   0.86622460  0.09247770  0.88278851
   0.61234356  0.43773996  0.60241409
   0.77986773  0.37699556  0.78865363
   0.62778007  0.65887931 -0.01113283
   0.89038138  0.58299926  0.37389387
   0.57998966  0.89500468  0.12182183
   0.83500822  0.81666240  0.23448815
   0.62932970  0.66786136  0.45753714
   0.88090506  0.62941213  0.88155748
   0.61582949  0.92684180  0.61760322
   0.83381066  0.85614411  0.74801411
   0.06156037  0.06162315  0.16790243
   0.33056176  0.17886222  0.27096913
   0.12505900  0.35664444 -0.01115234
   0.36759198  0.41269148  0.32894294
   0.51759867  0.33655753  0.18337716
   0.28518604  0.38627696  0.13807887
   0.21776824  0.11705361  0.45221610
  -0.03537905  0.14446934  0.40532496
   0.02854946  0.04899221  0.56869596
   0.47590274  0.24945096  0.79947643
   0.07734236  0.31199884  0.53122898
   0.35067748  0.47517990  0.83729938
   0.47545605  0.44460731  0.66068677
   0.23636682  0.35025106  0.69468544
   0.23552211  0.18298818 -0.13529868
   0.01239374  0.11692592  0.94151148
   0.09592212  0.58580977  0.06971292
   0.40132315  0.67332274  0.25898209
   0.12280627  0.85570787  0.02415073
   0.34642238  0.94504113  0.33422180
   0.42669480  0.89190408  0.15502309
   0.18260741  0.80945706  0.21346832
   0.32133369  0.65079512  0.42535680
   0.05314807  0.60488038  0.40934847
   0.20729003  0.55182473  0.57303620
   0.34821024  0.69704869  0.77033137
   0.12895072  0.80799624  0.52015385
   0.40193072  0.98609788  0.79989489
   0.44950779  0.89600070  0.62085052
   0.18791499  0.91169475  0.69626203
   0.29633242  0.65180758 -0.03158394
   0.02760691  0.68917760  0.89787900
   0.61611420  0.06186623  0.11739637
   0.86027778  0.16830666  0.24692216
   0.61357837  0.30172894  0.01684851
   0.87444556  0.42062904  0.37989054
   0.03199854  0.34518571  0.17133272
   0.76758367  0.40159058  0.15437453
   0.70196418  0.13989234  0.38661939
   0.45880321  0.14400626  0.43781129
   0.63769854  0.07283677  0.56994760
   0.81707674  0.22486322  0.81638763
   0.60230743  0.31959344  0.51965772
   0.87696306  0.47171453  0.84983765
   0.99145312  0.49533466  0.66246576
   0.74098607  0.39772047  0.67263473
   0.73409568  0.07107603  0.95014412
   0.46796887  0.08854399  0.95531119
   0.56307983  0.55280929  0.07778303
   0.88124030  0.66283863  0.27164379
   0.59506506  0.81515731  0.02440562
   0.87064634  0.92429096  0.32464765
   0.92971905  0.84872928  0.15177482
   0.68451700  0.81054945  0.19717088
   0.80127268  0.67968663  0.43776411
   0.57130837  0.58082880  0.37301553
   0.62316636  0.59006768  0.55900234
   0.80805264  0.70990537  0.79296977
   0.56207583  0.82000441  0.44663488
   0.90351359  0.95157491  0.82518333
   0.92411498  0.84431267  0.64946919
   0.68768411  0.94036975  0.72705612
   0.78965862  0.63359487  0.97437876
   0.54828480  0.64304579  0.89028455
   0.69674689  0.81403581  0.57674163
   0.46127973  0.82714938  0.43779264
   0.88766620  0.24338274  0.06255029
   0.70135346  0.52080343  0.21809051
   0.32507345  0.12395294  0.64549141
   0.28095189  0.76381656  0.75917017
   0.13254450  1.11505327  0.19081001
   0.25449545  1.13575957  0.05319609
   0.65955126  0.39302910  0.83132660
   0.91939812  0.42730722  0.65697075
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902802    0.415740   -0.202463
    -0.000000    9.851380   -0.040814
    -0.000000    0.000000   13.921673
   Si   O    H 
    32    64    10
Direct configuration=  2286
   0.15099974  0.19720410 -0.04129322
   0.34158533  0.10251504  0.37529282
   0.13318373  0.42532963  0.09360710
   0.36721028  0.32809784  0.22789874
   0.07398189  0.16003553  0.49075487
   0.39351727  0.12695502  0.85809885
   0.12997615  0.42214150  0.61380460
   0.39024033  0.37416018  0.74583663
   0.13901460  0.70082165 -0.01164474
   0.41307016  0.57477556  0.35040563
   0.07991218  0.90350345  0.14100581
   0.34359300  0.83344698  0.24404425
   0.17024838  0.64798867  0.48203547
   0.39025920  0.62896224  0.86891629
   0.06422928  0.90145378  0.61160834
   0.33745404  0.98267642  0.68760920
   0.60647846  0.13535601  1.00880809
   0.84278507  0.08886342  0.34515660
   0.61615296  0.40172452  0.11481610
   0.88583901  0.27454911  0.16477572
   0.60735531  0.16694440  0.47556991
   0.86462367  0.09410248  0.88273609
   0.61212976  0.43925982  0.60295172
   0.77980693  0.37606836  0.78861469
   0.62883995  0.65960776 -0.01088386
   0.89192699  0.58336874  0.37464402
   0.57912347  0.89375675  0.12163614
   0.83609348  0.81763491  0.23494088
   0.63003761  0.66605972  0.45709113
   0.88164064  0.62819255  0.88204706
   0.61467729  0.92679061  0.61776585
   0.83385782  0.85759630  0.74827188
   0.06094660  0.06067180  0.16993625
   0.32936588  0.17888476  0.27171230
   0.12572705  0.35599899 -0.01169597
   0.36815658  0.41256449  0.32898735
   0.51668969  0.33445726  0.18416012
   0.28352561  0.38714103  0.13800431
   0.21809486  0.11905149  0.45203377
  -0.03636109  0.14530333  0.40568009
   0.02749662  0.04935885  0.56830325
   0.47425949  0.24794794  0.80050121
   0.07729713  0.31053363  0.53184294
   0.35134115  0.47398838  0.83735514
   0.47590838  0.44326144  0.66239811
   0.23650326  0.35031582  0.69424400
   0.23547181  0.18168765 -0.13477365
   0.01112654  0.11576191  0.94149419
   0.09446034  0.58427705  0.06975867
   0.40106119  0.67572814  0.25877634
   0.12282526  0.85710775  0.02375409
   0.34618770  0.94467469  0.33445774
   0.42614699  0.89114471  0.15439479
   0.18312672  0.80897838  0.21410794
   0.32189162  0.65188037  0.42519694
   0.05148233  0.60627300  0.40928231
   0.20512144  0.55092915  0.57219004
   0.34712198  0.69736495  0.77056266
   0.12836052  0.80893709  0.52168257
   0.40330156  0.98605218  0.79946185
   0.44894089  0.89495621  0.62202898
   0.18770811  0.91160310  0.69579686
   0.29824806  0.65265385 -0.03165524
   0.02645098  0.68978243  0.89760280
   0.61541806  0.06225586  0.11620755
   0.86001156  0.16754523  0.24708600
   0.61373078  0.30169819  0.01696081
   0.87360222  0.42149652  0.37932371
   0.03116025  0.34617343  0.17200970
   0.76591769  0.39997715  0.15430061
   0.70185883  0.14059540  0.38679852
   0.45937704  0.14436745  0.43819529
   0.63927964  0.07470247  0.56985409
   0.81785314  0.22506159  0.81545893
   0.60155904  0.31955321  0.52029931
   0.87784149  0.47114477  0.85047244
   0.99024911  0.49426329  0.66198651
   0.74191158  0.39727365  0.67361609
   0.73367724  0.07132692  0.94928685
   0.46889650  0.08801181  0.95571858
   0.56543094  0.55229328  0.07701015
   0.88141068  0.66214568  0.27200054
   0.59532847  0.81516057  0.02331563
   0.87149476  0.92320083  0.32537054
   0.93009489  0.84745152  0.15151723
   0.68494956  0.81193110  0.19709586
   0.80064207  0.68116854  0.43864640
   0.57059332  0.57970472  0.37224728
   0.62303316  0.58858613  0.55823113
   0.80765882  0.70856453  0.79266596
   0.56234664  0.81923737  0.44713767
   0.90229278  0.95291437  0.82480150
   0.92461584  0.84513956  0.64930596
   0.68733401  0.93955182  0.72693254
   0.79065203  0.63274714  0.97525748
   0.54823304  0.64586800  0.88963920
   0.69008143  0.81261240  0.57739335
   0.46171277  0.82796175  0.43750548
   0.88424121  0.23897633  0.06141621
   0.70994171  0.52795611  0.22400896
   0.32435114  0.12062506  0.64510596
   0.28157269  0.77341976  0.75973079
   0.13635266  1.11699281  0.19075610
   0.25570912  1.14053904  0.05169995
   0.65701990  0.40912544  0.83355719
   0.90973711  0.42664149  0.65694375
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903048    0.415090   -0.203560
    -0.000000    9.847480   -0.039149
    -0.000000    0.000000   13.921420
   Si   O    H 
    32    64    10
Direct configuration=  2287
   0.15094975  0.19616874 -0.04202573
   0.34137950  0.10473895  0.37591626
   0.13347566  0.42484935  0.09292609
   0.36776554  0.32755766  0.22762899
   0.07445875  0.16112068  0.48982778
   0.39508543  0.12637258  0.85798169
   0.12933934  0.42143197  0.61393708
   0.38990027  0.37444658  0.74510909
   0.13850332  0.70114944 -0.01151010
   0.41261509  0.57562913  0.35022174
   0.07968718  0.90421969  0.14094358
   0.34357823  0.83366515  0.24403518
   0.17115584  0.64695900  0.48275539
   0.39033528  0.62930454  0.86922019
   0.06401169  0.90086478  0.61062058
   0.33803035  0.98252624  0.68777458
   0.60549534  0.13483487  1.00830374
   0.84511440  0.08794361  0.34553927
   0.61640484  0.40071366  0.11506744
   0.88706268  0.27492737  0.16541545
   0.60548274  0.16637377  0.47580337
   0.86334890  0.09517973  0.88287479
   0.61129015  0.44043254  0.60375253
   0.77974450  0.37525651  0.78900786
   0.62948778  0.66049067 -0.01046296
   0.89355846  0.58345925  0.37543701
   0.57872278  0.89307763  0.12126396
   0.83740042  0.81793747  0.23574013
   0.63124912  0.66497078  0.45698893
   0.88265857  0.62736754  0.88226485
   0.61406791  0.92646963  0.61856481
   0.83412233  0.85901858  0.74821481
   0.06062953  0.06066506  0.17191492
   0.32773016  0.17935078  0.27211970
   0.12593569  0.35470117 -0.01262618
   0.36844580  0.41248654  0.32892975
   0.51620206  0.33229854  0.18523346
   0.28169765  0.38766085  0.13823908
   0.21938458  0.12084786  0.45170777
  -0.03723417  0.14636002  0.40677965
   0.02678856  0.04916431  0.56858092
   0.47191056  0.24579469  0.80098342
   0.07680649  0.30900929  0.53287854
   0.35192764  0.47280003  0.83752160
   0.47711952  0.44203600  0.66362306
   0.23643478  0.35018009  0.69372191
   0.23620829  0.18039294 -0.13457039
   0.01037493  0.11469062  0.94149145
   0.09319795  0.58295071  0.06968703
   0.40093184  0.67772071  0.25803401
   0.12232137  0.85828476  0.02373274
   0.34613923  0.94288734  0.33432122
   0.42535685  0.89046954  0.15352341
   0.18321404  0.80948965  0.21459143
   0.32173811  0.65316058  0.42543462
   0.05033925  0.60615377  0.40926866
   0.20326095  0.55048619  0.57122925
   0.34655204  0.69838707  0.77047216
   0.12809824  0.80954601  0.52334173
   0.40412951  0.98644291  0.79844588
   0.44834940  0.89361659  0.62316828
   0.18891868  0.91231079  0.69480136
   0.30030963  0.65344741 -0.03138128
   0.02656814  0.68975086  0.89769352
   0.61421314  0.06294708  0.11470203
   0.85960537  0.16692709  0.24706119
   0.61400730  0.30189393  0.01736419
   0.87322080  0.42219211  0.37873359
   0.03039333  0.34764239  0.17259812
   0.76499381  0.39883118  0.15446786
   0.70247827  0.14104992  0.38687448
   0.46080977  0.14516461  0.43880428
   0.64035071  0.07711707  0.56986547
   0.81842978  0.22405930  0.81478708
   0.60122737  0.31979685  0.52070491
   0.87873512  0.46997533  0.85084367
   0.98902356  0.49225449  0.66117711
   0.74332338  0.39633840  0.67469461
   0.73339402  0.07181332  0.94904104
   0.46995192  0.08791628  0.95647657
   0.56899248  0.55182288  0.07603809
   0.88090021  0.66109848  0.27199235
   0.59491309  0.81545597  0.02193464
   0.87244136  0.92283306  0.32571953
   0.93125076  0.84706152  0.15159240
   0.68436832  0.81299709  0.19669919
   0.79989768  0.68290249  0.43885129
   0.57005825  0.57849849  0.37202400
   0.62283661  0.58736056  0.55771581
   0.80729824  0.70750960  0.79243152
   0.56262147  0.81785989  0.44721494
   0.90140620  0.95390239  0.82534129
   0.92461640  0.84663294  0.64969699
   0.68710508  0.93844055  0.72645518
   0.79107474  0.63247685  0.97691308
   0.54836001  0.64903563  0.88914576
   0.68339076  0.81166948  0.57977294
   0.46201731  0.82792499  0.43657541
   0.88013222  0.23649806  0.06115286
   0.72525309  0.53112737  0.22927077
   0.32233310  0.11745705  0.64465888
   0.28485262  0.78188650  0.76004268
   0.13649162  1.11701329  0.19158822
   0.25136236  1.14709014  0.04568692
   0.64838738  0.42503109  0.83632188
   0.90737919  0.43608262  0.65781281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903433    0.414245   -0.205164
    -0.000000    9.843629   -0.037892
    -0.000000    0.000000   13.920972
   Si   O    H 
    32    64    10
Direct configuration=  2288
   0.15109074  0.19504864 -0.04247069
   0.34101170  0.10625483  0.37671993
   0.13323762  0.42443389  0.09264132
   0.36872626  0.32727930  0.22719105
   0.07449749  0.16134486  0.48873689
   0.39648251  0.12661038  0.85819859
   0.12860812  0.42095062  0.61432068
   0.38940748  0.37571654  0.74460638
   0.13832679  0.70168078 -0.01143324
   0.41251890  0.57600129  0.34976193
   0.07956646  0.90456935  0.14083689
   0.34357045  0.83483430  0.24419213
   0.17169235  0.64661556  0.48370308
   0.39044127  0.62896827  0.86964813
   0.06412487  0.90049015  0.61004400
   0.33907695  0.98172047  0.68792896
   0.60434993  0.13368360  1.00765384
   0.84681156  0.08707212  0.34577555
   0.61581019  0.39978918  0.11490007
   0.88794189  0.27542165  0.16580770
   0.60401329  0.16646307  0.47616756
   0.86196125  0.09583122  0.88277473
   0.61068970  0.44136249  0.60424679
   0.77969043  0.37496881  0.78947384
   0.63000903  0.66125402 -0.00973970
   0.89566299  0.58283621  0.37638367
   0.57815258  0.89252638  0.12050230
   0.83835821  0.81796160  0.23696019
   0.63341918  0.66404189  0.45757514
   0.88341416  0.62658336  0.88249834
   0.61309272  0.92662255  0.61922599
   0.83471478  0.85998283  0.74820665
   0.06143942  0.06066364  0.17347672
   0.32677457  0.17968782  0.27269906
   0.12608669  0.35375552 -0.01386855
   0.36889197  0.41366491  0.32868670
   0.51588772  0.33000130  0.18629937
   0.28032175  0.38869511  0.13883199
   0.22040387  0.12220087  0.45162551
  -0.03696663  0.14790865  0.40763549
   0.02699957  0.04905385  0.56902800
   0.46918363  0.24438971  0.80077572
   0.07596447  0.30706562  0.53409274
   0.35238001  0.47213940  0.83702301
   0.47916774  0.44101299  0.66487938
   0.23670934  0.35007454  0.69257303
   0.23651440  0.17891738 -0.13469604
   0.00936093  0.11453029  0.94174476
   0.09222497  0.58211142  0.06918759
   0.40120232  0.67940542  0.25684057
   0.12107756  0.85979200  0.02404241
   0.34608035  0.94142028  0.33438813
   0.42431775  0.88976681  0.15286948
   0.18277865  0.81131609  0.21461841
   0.32045438  0.65379768  0.42621209
   0.05000304  0.60559679  0.40914048
   0.20108732  0.54972839  0.57023778
   0.34584379  0.69998635  0.76984869
   0.12832528  0.80931672  0.52510657
   0.40467295  0.98635123  0.79728304
   0.44772852  0.89219146  0.62494048
   0.19023926  0.91315762  0.69354053
   0.30264265  0.65390757 -0.03042396
   0.02656735  0.69000840  0.89784103
   0.61269319  0.06242230  0.11338383
   0.85936322  0.16727671  0.24747552
   0.61442631  0.30133246  0.01747826
   0.87278609  0.42293419  0.37764527
   0.03003388  0.34935737  0.17331036
   0.76400110  0.39825747  0.15546517
   0.70347895  0.14111348  0.38724328
   0.46208119  0.14638959  0.43911587
   0.64106951  0.07844692  0.57020789
   0.81930170  0.22259858  0.81407403
   0.60258075  0.31994615  0.52107662
   0.87995174  0.46890384  0.85097723
   0.98769882  0.48931648  0.66019957
   0.74422236  0.39516447  0.67583257
   0.73225419  0.07314325  0.94902647
   0.47041724  0.08741359  0.95755876
   0.57234353  0.55171926  0.07492812
   0.88018427  0.66085281  0.27201117
   0.59394864  0.81572909  0.02067710
   0.87286011  0.92278332  0.32666966
   0.93270501  0.84707053  0.15139503
   0.68350745  0.81463755  0.19650081
   0.79800549  0.68480993  0.43933426
   0.56986945  0.57689684  0.37219085
   0.62163334  0.58622978  0.55703342
   0.80633199  0.70629939  0.79189326
   0.56228954  0.81640797  0.44726773
   0.90070236  0.95488405  0.82622542
   0.92388207  0.84786098  0.65014735
   0.68704017  0.93639875  0.72635596
   0.79018166  0.63313293  0.97899861
   0.54788682  0.65214368  0.88863132
   0.68134732  0.80677811  0.58138948
   0.46685074  0.82522967  0.43498694
   0.87565773  0.23255734  0.06319723
   0.74137049  0.53120471  0.23172961
   0.31789784  0.11571956  0.64547403
   0.29043316  0.77976495  0.76299540
   0.13418280  1.11661655  0.19194532
   0.24303062  1.15269667  0.03735194
   0.64463337  0.43619532  0.83439954
   0.90815169  0.44499824  0.65475516
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904015    0.413124   -0.207143
    -0.000000    9.839915   -0.036869
    -0.000000    0.000000   13.920944
   Si   O    H 
    32    64    10
Direct configuration=  2289
   0.15109781  0.19401049 -0.04210846
   0.34062761  0.10748448  0.37672395
   0.13254809  0.42465616  0.09211242
   0.37010576  0.32683640  0.22692614
   0.07357091  0.16153695  0.48749191
   0.39798841  0.12689793  0.85866977
   0.12722908  0.42042085  0.61479800
   0.38912812  0.37643000  0.74389434
   0.13757168  0.70252150 -0.01092948
   0.41225546  0.57620136  0.34905460
   0.07957163  0.90443191  0.14133323
   0.34318865  0.83525815  0.24422443
   0.17208524  0.64694228  0.48410158
   0.39018389  0.62839270  0.87005705
   0.06427658  0.90019795  0.60957843
   0.33982745  0.98111906  0.68841596
   0.60408210  0.13265737  1.00673433
   0.84854051  0.08649782  0.34584743
   0.61537219  0.39842452  0.11440894
   0.88840908  0.27543270  0.16633518
   0.60269972  0.16695107  0.47689664
   0.86042694  0.09699245  0.88279296
   0.61037354  0.44177432  0.60439074
   0.77879452  0.37471280  0.78997025
   0.63072289  0.66090625 -0.00982055
   0.89682360  0.58230642  0.37691818
   0.57752667  0.89228403  0.11980343
   0.83957487  0.81778325  0.23804747
   0.63558838  0.66344140  0.45757514
   0.88421682  0.62631622  0.88250029
   0.61141337  0.92656998  0.61992754
   0.83531612  0.86103733  0.74829267
   0.06166624  0.06021493  0.17496866
   0.32548471  0.18015256  0.27289991
   0.12529247  0.35250636 -0.01469469
   0.36958545  0.41571676  0.32792971
   0.51558426  0.32736403  0.18687477
   0.27920966  0.38983269  0.13916260
   0.22175204  0.12243753  0.45095586
  -0.03642293  0.14969793  0.40894502
   0.02697900  0.04914566  0.56929985
   0.46726800  0.24268761  0.80047316
   0.07578129  0.30545672  0.53560318
   0.35221239  0.47147057  0.83692178
   0.48070243  0.44007572  0.66588180
   0.23722753  0.35037676  0.69145488
   0.23699559  0.17723459 -0.13421237
   0.00758545  0.11478226  0.94179237
   0.09178985  0.58235054  0.06893753
   0.40120797  0.68115813  0.25566827
   0.11963944  0.86087243  0.02440977
   0.34672368  0.94023691  0.33423887
   0.42381950  0.88937989  0.15239144
   0.18146718  0.81242762  0.21492553
   0.31827916  0.65464512  0.42699848
   0.05045196  0.60546807  0.40923325
   0.19930975  0.54924756  0.56925796
   0.34509656  0.70098016  0.76913861
   0.12892689  0.80801009  0.52577574
   0.40471460  0.98557265  0.79643037
   0.44771415  0.89145933  0.62688336
   0.19098533  0.91367990  0.69234138
   0.30403687  0.65423874 -0.02974920
   0.02668618  0.69069657  0.89843261
   0.61122041  0.06156950  0.11274845
   0.85910924  0.16736524  0.24785404
   0.61468211  0.30060501  0.01777554
   0.87235300  0.42394841  0.37704221
   0.03014229  0.35185188  0.17406848
   0.76410531  0.39840568  0.15684802
   0.70549472  0.14138222  0.38766484
   0.46223202  0.14740361  0.43896167
   0.64165097  0.07978644  0.57077522
   0.82006054  0.22072434  0.81326807
   0.60457340  0.32081817  0.52153135
   0.88066301  0.46831273  0.85068975
   0.98721731  0.48667285  0.65962025
   0.74507372  0.39424021  0.67717419
   0.73128155  0.07508242  0.94871995
   0.47118445  0.08705727  0.95792442
   0.57551778  0.55224417  0.07352275
   0.87943014  0.66101469  0.27213779
   0.59328809  0.81550863  0.02004030
   0.87314000  0.92366143  0.32686432
   0.93414929  0.84713445  0.15122712
   0.68351052  0.81664892  0.19692660
   0.79558503  0.68698115  0.44010352
   0.57019856  0.57453475  0.37250653
   0.61967749  0.58569160  0.55640057
   0.80569869  0.70552222  0.79169221
   0.56209592  0.81449850  0.44781611
   0.90001138  0.95603250  0.82730320
   0.92322540  0.84807284  0.65084084
   0.68679890  0.93401741  0.72569107
   0.78972768  0.63358117  0.98081085
   0.54750444  0.65522233  0.88832364
   0.68290294  0.79863206  0.58224841
   0.46239636  0.82267277  0.43258780
   0.87326832  0.22966450  0.06809654
   0.75756851  0.53063604  0.23088418
   0.31230053  0.11767301  0.64445616
   0.29170586  0.78397259  0.76675461
   0.13563121  1.11575799  0.19357733
   0.23306397  1.16025258  0.03184504
   0.64905284  0.43928883  0.83013040
   0.89820082  0.44557203  0.65218483
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904714    0.412538   -0.208969
    -0.000000    9.836680   -0.035415
    -0.000000    0.000000   13.920684
   Si   O    H 
    32    64    10
Direct configuration=  2290
   0.15080232  0.19333723 -0.04134976
   0.33990763  0.10775765  0.37618028
   0.13099923  0.42499674  0.09191309
   0.37101370  0.32576334  0.22714118
   0.07264768  0.16105743  0.48686952
   0.39956150  0.12698181  0.85902743
   0.12608557  0.41950992  0.61540475
   0.38880485  0.37718958  0.74356513
   0.13594789  0.70313049 -0.01059130
   0.41220958  0.57695836  0.34857667
   0.07940909  0.90441042  0.14150297
   0.34224801  0.83590597  0.24383555
   0.17294399  0.64739479  0.48463872
   0.38994638  0.62749231  0.87033959
   0.06376377  0.89971614  0.60881221
   0.34077242  0.98058948  0.68865553
   0.60443400  0.13155570  1.00604000
   0.84992381  0.08661420  0.34568495
   0.61545624  0.39762571  0.11375456
   0.88897018  0.27488011  0.16646505
   0.60220196  0.16830466  0.47704609
   0.85989249  0.09804309  0.88277915
   0.61023108  0.44146350  0.60409119
   0.77748841  0.37484141  0.79041031
   0.63141843  0.65962567 -0.00967468
   0.89724718  0.58192085  0.37726257
   0.57742085  0.89229021  0.11901506
   0.84098556  0.81729781  0.23896149
   0.63730913  0.66328738  0.45768536
   0.88444619  0.62514100  0.88258625
   0.61016409  0.92633072  0.62081357
   0.83575152  0.86166303  0.74853078
   0.06197115  0.05963962  0.17617347
   0.32400087  0.18101838  0.27289403
   0.12474134  0.35151049 -0.01510642
   0.36927387  0.41764827  0.32778720
   0.51572532  0.32468742  0.18714796
   0.27777604  0.39103364  0.13897212
   0.22196733  0.12218659  0.45036746
  -0.03558723  0.15042988  0.40996282
   0.02656895  0.04971633  0.56995621
   0.46571369  0.24198654  0.79988575
   0.07557316  0.30438759  0.53684606
   0.35265598  0.47081953  0.83709607
   0.48136217  0.43954604  0.66695377
   0.23793263  0.35034433  0.69024105
   0.23937479  0.17603719 -0.13348229
   0.00542596  0.11539306  0.94246620
   0.09125586  0.58335802  0.06845100
   0.40126968  0.68348901  0.25495609
   0.11841209  0.86175667  0.02473897
   0.34757093  0.94026151  0.33453505
   0.42357596  0.88866914  0.15199560
   0.18065360  0.81375179  0.21478844
   0.31531237  0.65575554  0.42817705
   0.05135628  0.60602304  0.40881393
   0.19736928  0.54890033  0.56824329
   0.34493911  0.70232971  0.76838168
   0.13033274  0.80598841  0.52544780
   0.40409794  0.98431114  0.79573967
   0.44834394  0.89110809  0.62862448
   0.19150605  0.91390508  0.69082415
   0.30439061  0.65581016 -0.02926436
   0.02749361  0.69164495  0.89892607
   0.61008769  0.05986120  0.11165569
   0.85895433  0.16897170  0.24735083
   0.61462755  0.29980531  0.01783330
   0.87196739  0.42453055  0.37626565
   0.02967515  0.35459271  0.17426204
   0.76440270  0.39830379  0.15823329
   0.70715965  0.14172646  0.38853397
   0.46175350  0.14800132  0.43803302
   0.64271705  0.08002961  0.57153748
   0.82115259  0.21891590  0.81199024
   0.60579697  0.32219444  0.52186911
   0.88157463  0.46793513  0.85035157
   0.98759091  0.48441649  0.65893412
   0.74588880  0.39350512  0.67834029
   0.73055033  0.07691610  0.94893042
   0.47210717  0.08661520  0.95810323
   0.57853657  0.55247412  0.07225816
   0.87826708  0.66123759  0.27264854
   0.59327207  0.81579322  0.01946227
   0.87323658  0.92433624  0.32711807
   0.93558681  0.84701186  0.15116321
   0.68406483  0.81826680  0.19708366
   0.79347042  0.68874399  0.44068135
   0.56989698  0.57111728  0.37263118
   0.61830708  0.58572978  0.55584600
   0.80529720  0.70500039  0.79149614
   0.56160950  0.81354968  0.44803114
   0.89957325  0.95751020  0.82820705
   0.92235516  0.84782662  0.65143747
   0.68569963  0.93194940  0.72483804
   0.78973386  0.63432486  0.98248565
   0.54640186  0.65764135  0.88792997
   0.68745408  0.79591103  0.58498728
   0.46514973  0.81994422  0.43148228
   0.86958095  0.22467221  0.07153479
   0.77253307  0.53018861  0.22589981
   0.30811806  0.11557605  0.64514466
   0.29256366  0.79393011  0.76966379
   0.13852224  1.11692681  0.19294841
   0.22987359  1.16394371  0.03667502
   0.65385781  0.43871427  0.82784877
   0.89054240  0.44762185  0.64751003
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905119    0.412008   -0.210440
    -0.000000    9.833011   -0.034352
    -0.000000    0.000000   13.920571
   Si   O    H 
    32    64    10
Direct configuration=  2291
   0.15023071  0.19281728 -0.04057358
   0.33918173  0.10711659  0.37518802
   0.12929731  0.42512862  0.09200155
   0.37145162  0.32477841  0.22749887
   0.07272823  0.16084384  0.48642724
   0.40142536  0.12731343  0.85918807
   0.12386002  0.41821993  0.61603072
   0.38819855  0.37749287  0.74297975
   0.13466629  0.70308477 -0.01018471
   0.41261199  0.57836541  0.34786617
   0.07899492  0.90442692  0.14138367
   0.34133285  0.83679357  0.24358515
   0.17333864  0.64864387  0.48459167
   0.38911139  0.62671146  0.87012147
   0.06411068  0.89876807  0.60766574
   0.34195068  0.98004889  0.68847102
   0.60478474  0.13049336  1.00573161
   0.85076248  0.08666782  0.34530113
   0.61477478  0.39775145  0.11307330
   0.88958946  0.27380108  0.16628956
   0.60192313  0.17000445  0.47734946
   0.85930629  0.09859908  0.88275133
   0.61098040  0.44146350  0.60325677
   0.77615823  0.37490638  0.79097638
   0.63329674  0.65806020 -0.00955784
   0.89744435  0.58220292  0.37731436
   0.57734917  0.89315965  0.11825931
   0.84204458  0.81711906  0.24017480
   0.63841259  0.66351797  0.45771209
   0.88399379  0.62398353  0.88272877
   0.60965692  0.92581607  0.62150460
   0.83541303  0.86251209  0.74883688
   0.06304949  0.05891641  0.17751696
   0.32235137  0.18227964  0.27249896
   0.12513600  0.35121859 -0.01522745
   0.36926060  0.41945701  0.32716988
   0.51727536  0.32201303  0.18730281
   0.27700903  0.39275553  0.13899073
   0.22185555  0.12203025  0.44983209
  -0.03507202  0.15064875  0.41024343
   0.02494618  0.05022036  0.57026280
   0.46322646  0.24164000  0.79873821
   0.07541337  0.30354564  0.53836547
   0.35352453  0.47039920  0.83726399
   0.48184087  0.43938560  0.66784971
   0.23916107  0.35039779  0.68936086
   0.24078778  0.17406523 -0.13323447
   0.00411435  0.11587435  0.94326543
   0.09089244  0.58460522  0.06839778
   0.40103578  0.68457757  0.25463296
   0.11669643  0.86270878  0.02517502
   0.34830216  0.93969701  0.33460872
   0.42307844  0.88802008  0.15146065
   0.17950222  0.81522287  0.21420870
   0.31343049  0.65668995  0.42885041
   0.05240978  0.60646344  0.40862289
   0.19601971  0.54828793  0.56749610
   0.34477386  0.70453376  0.76738966
   0.13129714  0.80374484  0.52540660
   0.40322653  0.98334298  0.79553623
   0.44880879  0.89031022  0.63028511
   0.19192484  0.91356418  0.68977314
   0.30474136  0.65749687 -0.02867406
   0.02909054  0.69214669  0.89952938
   0.60856298  0.05805899  0.11004559
   0.85791009  0.17107275  0.24668678
   0.61427102  0.29853286  0.01763961
   0.87171153  0.42447802  0.37578114
   0.02887246  0.35754693  0.17398579
   0.76409134  0.39808162  0.15990264
   0.70871186  0.14068871  0.38912170
   0.46047452  0.14797561  0.43697206
   0.64395981  0.07920008  0.57275603
   0.82260777  0.21747419  0.81070909
   0.60728470  0.32336919  0.52249883
   0.88234733  0.46762718  0.84979333
   0.98745184  0.48223785  0.65914771
   0.74671225  0.39206186  0.67861352
   0.72914893  0.07777053  0.94927274
   0.47321953  0.08631610  0.95809298
   0.58188061  0.55268712  0.07122141
   0.87620449  0.66126690  0.27264719
   0.59356675  0.81638620  0.01869679
   0.87400339  0.92446223  0.32705456
   0.93700547  0.84711375  0.15128283
   0.68534577  0.82020463  0.19782965
   0.79158163  0.68925278  0.44103788
   0.56998661  0.56858277  0.37333280
   0.61721892  0.58554906  0.55550103
   0.80500881  0.70571582  0.79135724
   0.56071518  0.81248593  0.44837816
   0.89998984  0.95939838  0.82924475
   0.92195712  0.84771430  0.65142007
   0.68456899  0.93061985  0.72416543
   0.78972675  0.63468551  0.98394065
   0.54505137  0.65893621  0.88748755
   0.68808123  0.79780486  0.58701310
   0.46904780  0.81933773  0.43214305
   0.86556149  0.22116926  0.07565242
   0.78528843  0.52814567  0.21615645
   0.30662664  0.11339529  0.64689487
   0.29703599  0.79576695  0.77182320
   0.14004544  1.11606845  0.19403512
   0.23033327  1.16025924  0.04617508
   0.65553887  0.43403810  0.82434602
   0.89438327  0.45075481  0.64467714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905922    0.410965   -0.211879
    -0.000000    9.828898   -0.033036
    -0.000000    0.000000   13.920791
   Si   O    H 
    32    64    10
Direct configuration=  2292
   0.14901176  0.19199600 -0.03989163
   0.33844825  0.10627466  0.37404424
   0.12749313  0.42529107  0.09228152
   0.37156027  0.32419645  0.22798015
   0.07294753  0.16109370  0.48651508
   0.40262759  0.12771883  0.85918334
   0.12190812  0.41706055  0.61682382
   0.38747674  0.37766448  0.74260077
   0.13357521  0.70312857 -0.00945306
   0.41317872  0.57929621  0.34734046
   0.07915797  0.90442400  0.14116350
   0.34010076  0.83764421  0.24310791
   0.17319138  0.65065958  0.48410844
   0.38786755  0.62650733  0.86964418
   0.06430815  0.89780317  0.60658729
   0.34297900  0.97970455  0.68841849
   0.60531129  0.12972773  1.00588226
   0.85147461  0.08694704  0.34472435
   0.61369226  0.39828614  0.11223975
   0.89021113  0.27277313  0.16564531
   0.60236620  0.17166579  0.47773057
   0.85913697  0.09919161  0.88294929
   0.61228742  0.44102912  0.60223635
   0.77523890  0.37519303  0.79170461
   0.63478266  0.65704595 -0.00937949
   0.89771095  0.58330870  0.37699895
   0.57772767  0.89364474  0.11764744
   0.84270801  0.81750415  0.24132856
   0.63958475  0.66347856  0.45731971
   0.88383448  0.62312659  0.88272880
   0.60915267  0.92475691  0.62165832
   0.83529379  0.86273675  0.74904368
   0.06415323  0.05874178  0.17849842
   0.31999858  0.18466105  0.27197484
   0.12463839  0.35168272 -0.01586722
   0.36956048  0.42071322  0.32647099
   0.51928100  0.31924434  0.18693353
   0.27641763  0.39385404  0.13957426
   0.22133816  0.12208270  0.44970560
  -0.03551935  0.15119398  0.40988556
   0.02421471  0.05016295  0.57073016
   0.46102889  0.24216424  0.79772701
   0.07550614  0.30234100  0.53996468
   0.35512921  0.47027018  0.83762606
   0.48301071  0.43993730  0.66834521
   0.24039743  0.34987319  0.68835352
   0.24218930  0.17172604 -0.13268001
   0.00287113  0.11653728  0.94420551
   0.09117825  0.58510105  0.06801143
   0.40105669  0.68499882  0.25472146
   0.11536523  0.86388353  0.02610284
   0.34935700  0.93984624  0.33492025
   0.42312469  0.88709969  0.15084537
   0.17920070  0.81649527  0.21416662
   0.31189480  0.65721051  0.42936597
   0.05341216  0.60673555  0.40824168
   0.19477196  0.54707003  0.56719300
   0.34440340  0.70638599  0.76701273
   0.13197084  0.80064447  0.52563333
   0.40272522  0.98261164  0.79581125
   0.44938840  0.88920404  0.63170370
   0.19261754  0.91390239  0.68875871
   0.30492631  0.65972470 -0.02833324
   0.03043398  0.69177572  0.90016661
   0.60631603  0.05568782  0.10857965
   0.85757637  0.17246977  0.24608640
   0.61362671  0.29681252  0.01747760
   0.87088408  0.42512927  0.37536146
   0.02819660  0.36052866  0.17354112
   0.76388364  0.39863081  0.16210433
   0.71018438  0.13996421  0.38938295
   0.45965753  0.14749984  0.43572431
   0.64445107  0.07814888  0.57421780
   0.82377919  0.21632388  0.80902212
   0.60867658  0.32502188  0.52332132
   0.88296442  0.46725957  0.84932366
   0.98663002  0.48049034  0.65919407
   0.74676388  0.39013915  0.67809164
   0.72887948  0.07847240  0.94907725
   0.47412478  0.08613236  0.95803055
   0.58549267  0.55255725  0.07049979
   0.87399646  0.66046069  0.27269225
   0.59403255  0.81620188  0.01827170
   0.87457175  0.92496384  0.32727883
   0.93684671  0.84718398  0.15124428
   0.68682422  0.82184192  0.19776838
   0.78994497  0.68963007  0.44119722
   0.57019901  0.56586513  0.37419815
   0.61666180  0.58495591  0.55541476
   0.80440179  0.70619456  0.79121120
   0.55989395  0.81040458  0.44858712
   0.89992823  0.96133527  0.83020219
   0.92151778  0.84705106  0.65163592
   0.68345683  0.92956964  0.72373708
   0.79024317  0.63456524  0.98486192
   0.54444300  0.66043676  0.88773885
   0.68522837  0.80490832  0.58955127
   0.46185864  0.82236125  0.42910600
   0.86384489  0.21740412  0.07493582
   0.79586989  0.52576074  0.20311506
   0.30804179  0.11129785  0.64695945
   0.30184275  0.79304083  0.77452059
   0.14295081  1.11293637  0.19357606
   0.22843698  1.15272064  0.05511311
   0.65132588  0.42932098  0.82840508
   0.90062613  0.45337402  0.64120724
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907187    0.409855   -0.213228
    -0.000000    9.824753   -0.031222
    -0.000000    0.000000   13.920978
   Si   O    H 
    32    64    10
Direct configuration=  2293
   0.14780970  0.19057825 -0.03936225
   0.33742521  0.10512144  0.37274285
   0.12549166  0.42553639  0.09256598
   0.37188416  0.32404437  0.22842467
   0.07318419  0.16098201  0.48680399
   0.40343961  0.12762500  0.85912845
   0.12019842  0.41606585  0.61715031
   0.38681370  0.37793224  0.74255426
   0.13239204  0.70279505 -0.00891556
   0.41351681  0.58028430  0.34670435
   0.07972591  0.90405941  0.14055792
   0.33925635  0.83863724  0.24306024
   0.17310905  0.65253028  0.48331797
   0.38657929  0.62700002  0.86907689
   0.06456775  0.89665883  0.60543927
   0.34343784  0.98003921  0.68828235
   0.60620039  0.12978203  1.00615777
   0.85195690  0.08770635  0.34405285
   0.61255507  0.39899737  0.11134602
   0.89060530  0.27209260  0.16467020
   0.60369558  0.17304982  0.47799997
   0.85947076  0.09938280  0.88350511
   0.61384975  0.44042119  0.60164504
   0.77419613  0.37561690  0.79236258
   0.63548671  0.65643521 -0.00886946
   0.89793728  0.58425732  0.37654994
   0.57859641  0.89394249  0.11724635
   0.84388186  0.81803164  0.24158134
   0.64027529  0.66324785  0.45644360
   0.88386290  0.62250040  0.88265857
   0.60900576  0.92368892  0.62158784
   0.83457632  0.86329479  0.74897098
   0.06556916  0.05892925  0.17947905
   0.31737661  0.18676999  0.27165273
   0.12467955  0.35186364 -0.01651607
   0.36980671  0.42146211  0.32509829
   0.52154039  0.31749822  0.18653761
   0.27496264  0.39516222  0.14015103
   0.22020298  0.12241409  0.44945796
  -0.03660498  0.15249255  0.40988971
   0.02401147  0.05003506  0.57156261
   0.46010337  0.24312132  0.79671925
   0.07518276  0.30207876  0.54184768
   0.35620759  0.47037036  0.83805464
   0.48409868  0.44023724  0.66834930
   0.24182720  0.34912290  0.68728804
   0.24364715  0.16917982 -0.13253036
   0.00225342  0.11741663  0.94572371
   0.09105885  0.58488542  0.06738248
   0.40119708  0.68502516  0.25533134
   0.11409544  0.86530988  0.02662680
   0.35012839  0.94078908  0.33532429
   0.42270965  0.88599212  0.14985650
   0.17907490  0.81793555  0.21365930
   0.31020771  0.65666702  0.42953615
   0.05379199  0.60643054  0.40772907
   0.19404619  0.54583321  0.56737582
   0.34472872  0.70796714  0.76662968
   0.13253852  0.79802549  0.52544366
   0.40255762  0.98086685  0.79599676
   0.45024773  0.88856681  0.63233440
   0.19383506  0.91403164  0.68767154
   0.30486004  0.66177638 -0.02785375
   0.03183878  0.69192640  0.90091745
   0.60394618  0.05449566  0.10771036
   0.85695981  0.17343386  0.24627406
   0.61270155  0.29638557  0.01765856
   0.86997637  0.42424033  0.37555664
   0.02693039  0.36334938  0.17303655
   0.76375011  0.39984422  0.16440896
   0.71121786  0.13933174  0.38964205
   0.45826876  0.14706241  0.43465514
   0.64477394  0.07673220  0.57542721
   0.82558150  0.21562070  0.80748869
   0.60956478  0.32570193  0.52339336
   0.88379118  0.46616044  0.84873747
   0.98534225  0.47932581  0.65980735
   0.74650031  0.38781251  0.67752457
   0.72895983  0.07897540  0.94847788
   0.47436371  0.08537421  0.95766768
   0.58915468  0.55255866  0.07013029
   0.87187950  0.65959279  0.27277509
   0.59513070  0.81658652  0.01774237
   0.87402712  0.92500281  0.32673017
   0.93529649  0.84717243  0.15096387
   0.68820667  0.82268397  0.19743165
   0.78934736  0.69018244  0.44151640
   0.57067235  0.56314022  0.37540309
   0.61607826  0.58463859  0.55541311
   0.80381635  0.70608083  0.79124583
   0.55927053  0.80905214  0.44837001
   0.89983385  0.96249207  0.83015028
   0.92136424  0.84597194  0.65170872
   0.68299101  0.92892511  0.72362168
   0.79121681  0.63411243  0.98568653
   0.54404279  0.66142547  0.88795169
   0.68379307  0.81012639  0.58826008
   0.45758513  0.82484912  0.42650829
   0.86121288  0.21197204  0.06845787
   0.80775947  0.51996489  0.18897295
   0.30905054  0.11217973  0.64862113
   0.30281429  0.79311969  0.77719587
   0.14738368  1.11049658  0.19382617
   0.22533940  1.14319771  0.05996067
   0.64180131  0.42604012  0.83287583
   0.89743335  0.45328905  0.63401292
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908798    0.409239   -0.214059
    -0.000000    9.820503   -0.029242
    -0.000000    0.000000   13.921181
   Si   O    H 
    32    64    10
Direct configuration=  2294
   0.14707306  0.18910084 -0.03923973
   0.33594121  0.10375171  0.37130839
   0.12322818  0.42600391  0.09316459
   0.37242806  0.32471619  0.22885964
   0.07374683  0.16067001  0.48751618
   0.40402745  0.12716708  0.85901326
   0.11874800  0.41535301  0.61749972
   0.38525522  0.37789170  0.74236984
   0.13198829  0.70200931 -0.00783798
   0.41269835  0.58061493  0.34633308
   0.08049237  0.90338375  0.13992868
   0.33801285  0.83987190  0.24278167
   0.17306178  0.65423703  0.48237166
   0.38516076  0.62757454  0.86811918
   0.06487987  0.89506225  0.60487970
   0.34322738  0.98061208  0.68758587
   0.60747649  0.12993118  1.00608812
   0.85154673  0.08874542  0.34367024
   0.61164217  0.39917074  0.11094629
   0.89134743  0.27154334  0.16347828
   0.60500250  0.17452727  0.47849898
   0.85989126  0.09996883  0.88406283
   0.61540637  0.44021247  0.60134135
   0.77296585  0.37615970  0.79304799
   0.63610339  0.65598389 -0.00874575
   0.89862863  0.58431142  0.37601867
   0.57936687  0.89373179  0.11694684
   0.84465231  0.81831184  0.24121108
   0.64026382  0.66290577  0.45531085
   0.88394365  0.62229235  0.88250466
   0.60820173  0.92345011  0.62167818
   0.83352978  0.86354842  0.74876227
   0.06680454  0.05883678  0.17996986
   0.31551833  0.18798869  0.27139207
   0.12495806  0.35296175 -0.01662589
   0.36981498  0.42211449  0.32385876
   0.52377365  0.31631383  0.18583482
   0.27324474  0.39674687  0.14086173
   0.21866511  0.12259242  0.44946461
  -0.03803011  0.15436514  0.40909290
   0.02436528  0.04937620  0.57147469
   0.45883783  0.24497146  0.79497291
   0.07470786  0.30162975  0.54364787
   0.35704515  0.47112971  0.83838522
   0.48550742  0.44005548  0.66873487
   0.24303789  0.34861781  0.68646956
   0.24450467  0.16702564 -0.13200932
   0.00234292  0.11770144  0.94784239
   0.09037430  0.58572867  0.06729726
   0.40078239  0.68464375  0.25590692
   0.11352542  0.86588942  0.02676104
   0.35122633  0.94150732  0.33565237
   0.42196288  0.88523296  0.14907906
   0.17885656  0.81877076  0.21328261
   0.31043124  0.65617716  0.42900104
   0.05452309  0.60670440  0.40683295
   0.19331898  0.54373137  0.56793023
   0.34538856  0.70795846  0.76629875
   0.13225029  0.79612590  0.52534688
   0.40254172  0.97992716  0.79673954
   0.45174399  0.88733906  0.63252630
   0.19415576  0.91378379  0.68730772
   0.30419047  0.66425769 -0.02754447
   0.03326707  0.69179357  0.90077175
   0.60252729  0.05412973  0.10727821
   0.85659551  0.17431367  0.24704805
   0.61294769  0.29524059  0.01726786
   0.86844544  0.42338694  0.37605993
   0.02625200  0.36557499  0.17227433
   0.76423513  0.40065947  0.16679193
   0.71107798  0.13895310  0.39030084
   0.45755566  0.14654027  0.43364565
   0.64480917  0.07532405  0.57593770
   0.82705967  0.21465367  0.80593832
   0.60975353  0.32592774  0.52246644
   0.88450547  0.46554495  0.84806147
   0.98431748  0.47887942  0.66061954
   0.74640953  0.38617289  0.67692371
   0.73043543  0.07908098  0.94767650
   0.47350233  0.08488323  0.95714550
   0.59164349  0.55135973  0.06948525
   0.86925204  0.65780161  0.27241644
   0.59640767  0.81670496  0.01694165
   0.87367426  0.92566981  0.32618886
   0.93287488  0.84756506  0.15065072
   0.68906486  0.82340048  0.19705622
   0.78900984  0.69021913  0.44164569
   0.57124188  0.56078569  0.37629339
   0.61515693  0.58512949  0.55489778
   0.80374064  0.70634281  0.79128528
   0.55843600  0.80852062  0.44790525
   0.90022210  0.96274278  0.82952785
   0.92102741  0.84587839  0.65189801
   0.68287532  0.92876914  0.72431474
   0.79295816  0.63268885  0.98615653
   0.54391382  0.66205047  0.88831033
   0.68516507  0.81270345  0.58548103
   0.46297372  0.82111750  0.42708301
   0.86245970  0.20534752  0.06533496
   0.81697048  0.51130184  0.17531771
   0.30717409  0.11481136  0.64865667
   0.29572539  0.80227437  0.78229088
   0.14986409  1.10874438  0.19229655
   0.22044889  1.13264134  0.06050766
   0.63454410  0.42427624  0.83929270
   0.89487138  0.45315137  0.62706951
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910089    0.409247   -0.215010
    -0.000000    9.816292   -0.027159
    -0.000000    0.000000   13.921474
   Si   O    H 
    32    64    10
Direct configuration=  2295
   0.14634345  0.18742508 -0.03950389
   0.33436841  0.10262093  0.36975045
   0.12156536  0.42650568  0.09387405
   0.37289931  0.32562980  0.22893098
   0.07449079  0.16085324  0.48882817
   0.40391882  0.12683180  0.85876436
   0.11821561  0.41471448  0.61820824
   0.38424492  0.37787441  0.74229425
   0.13208314  0.70129837 -0.00668192
   0.41183615  0.58082046  0.34590896
   0.08061751  0.90260848  0.13928151
   0.33760780  0.84078232  0.24224829
   0.17291406  0.65585022  0.48156615
   0.38392386  0.62811454  0.86717796
   0.06529664  0.89424658  0.60453412
   0.34320161  0.98085166  0.68708094
   0.60872752  0.13066195  1.00584806
   0.85144809  0.09008294  0.34326319
   0.61079818  0.39911618  0.11046708
   0.89224799  0.27046680  0.16248383
   0.60606213  0.17606174  0.47933077
   0.86074220  0.10048618  0.88461569
   0.61652033  0.44017176  0.60167176
   0.77169423  0.37650077  0.79349768
   0.63644515  0.65555130 -0.00923286
   0.89866912  0.58417107  0.37565531
   0.57995879  0.89297199  0.11727101
   0.84550243  0.81823052  0.24102401
   0.63937745  0.66303135  0.45411640
   0.88371488  0.62225864  0.88266913
   0.60753952  0.92367443  0.62116090
   0.83220687  0.86359557  0.74886321
   0.06852574  0.05932016  0.18027493
   0.31340919  0.18894118  0.27140401
   0.12488295  0.35272254 -0.01656215
   0.36967022  0.42289857  0.32249137
   0.52605345  0.31530719  0.18516024
   0.27200061  0.39818555  0.14204177
   0.21679672  0.12255855  0.44930274
  -0.03972000  0.15555557  0.40807789
   0.02425882  0.04827722  0.57083512
   0.45858499  0.24610705  0.79301641
   0.07383397  0.30100592  0.54569003
   0.35780336  0.47129284  0.83847793
   0.48598351  0.43974488  0.66898787
   0.24414207  0.34697354  0.68611474
   0.24369740  0.16526095 -0.13134314
   0.00246532  0.11787250  0.94951019
   0.08908882  0.58711218  0.06685942
   0.40046233  0.68392163  0.25626961
   0.11338058  0.86612015  0.02718422
   0.35222842  0.94205267  0.33598820
   0.42132701  0.88386011  0.14900224
   0.17902856  0.81918970  0.21224577
   0.31116877  0.65555493  0.42821571
   0.05512221  0.60693570  0.40610385
   0.19277948  0.54196925  0.56927901
   0.34660873  0.70873829  0.76614591
   0.13223434  0.79450303  0.52465818
   0.40313965  0.97974877  0.79740590
   0.45279041  0.88637213  0.63241297
   0.19405880  0.91293571  0.68673176
   0.30375498  0.66653514 -0.02723868
   0.03399175  0.69157693  0.90055563
   0.60224413  0.05442125  0.10700254
   0.85572452  0.17508487  0.24734972
   0.61317430  0.29399800  0.01733046
   0.86727918  0.42393197  0.37604874
   0.02554282  0.36778314  0.17157113
   0.76535691  0.40160081  0.16858598
   0.71063067  0.13851937  0.39037416
   0.45710801  0.14571378  0.43272732
   0.64458600  0.07389532  0.57696875
   0.82777059  0.21437980  0.80463695
   0.60969228  0.32561939  0.52154550
   0.88502087  0.46574080  0.84744862
   0.98305240  0.47845476  0.66130316
   0.74617248  0.38521521  0.67550487
   0.73176786  0.07848095  0.94660506
   0.47198218  0.08422370  0.95673117
   0.59359975  0.54959129  0.06932120
   0.86808145  0.65602475  0.27208888
   0.59820935  0.81674040  0.01581138
   0.87267034  0.92643323  0.32573110
   0.93026432  0.84867995  0.14942054
   0.68944098  0.82461150  0.19671394
   0.79019400  0.68993608  0.44124648
   0.57183875  0.55813581  0.37710115
   0.61376014  0.58575217  0.55472736
   0.80393635  0.70610699  0.79151903
   0.55778411  0.80848686  0.44771756
   0.89969111  0.96191678  0.82855195
   0.92065800  0.84587309  0.65217338
   0.68321368  0.92831729  0.72497688
   0.79531922  0.63125052  0.98620248
   0.54412757  0.66183600  0.88883785
   0.68791683  0.81343351  0.58107069
   0.47443521  0.81502231  0.42704257
   0.86714945  0.20126788  0.06424483
   0.82409968  0.50224783  0.16388478
   0.30420191  0.12391426  0.64861730
   0.29070255  0.80521127  0.78728191
   0.15398174  1.10675706  0.18760464
   0.21367134  1.12652232  0.05413699
   0.63380297  0.41989416  0.84365412
   0.89872909  0.45198916  0.62491248
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911112    0.409177   -0.215601
    -0.000000    9.811975   -0.025619
    -0.000000    0.000000   13.921755
   Si   O    H 
    32    64    10
Direct configuration=  2296
   0.14613597  0.18591777 -0.03983127
   0.33272772  0.10149469  0.36844844
   0.12021725  0.42682258  0.09424259
   0.37352553  0.32641875  0.22951965
   0.07551206  0.16097931  0.49016350
   0.40372108  0.12654350  0.85816801
   0.11825003  0.41443690  0.61929419
   0.38281991  0.37741216  0.74177683
   0.13294022  0.70054734 -0.00572258
   0.41122063  0.58109182  0.34574908
   0.08049613  0.90206541  0.13867794
   0.33721746  0.84151363  0.24191076
   0.17241506  0.65605677  0.48076157
   0.38332504  0.62901431  0.86629407
   0.06547124  0.89354475  0.60433508
   0.34311501  0.98079247  0.68651185
   0.61022764  0.13168783  1.00590664
   0.85133137  0.09160841  0.34250586
   0.61057981  0.39893695  0.10993666
   0.89259809  0.26976992  0.16150139
   0.60723612  0.17730997  0.48037505
   0.86159840  0.10045270  0.88508834
   0.61725294  0.44005108  0.60224428
   0.77060826  0.37677183  0.79369160
   0.63669152  0.65550412 -0.00962121
   0.89777619  0.58404512  0.37580280
   0.57997008  0.89200028  0.11733640
   0.84591154  0.81774513  0.24109959
   0.63858984  0.66284832  0.45332842
   0.88301459  0.62251105  0.88259020
   0.60650874  0.92357375  0.62064523
   0.83118739  0.86388240  0.74871466
   0.07030588  0.05980995  0.18025531
   0.31142898  0.18974358  0.27105766
   0.12449224  0.35328454 -0.01689421
   0.37005957  0.42415657  0.32144203
   0.52832581  0.31402469  0.18492994
   0.27094388  0.39876142  0.14320207
   0.21615590  0.12107297  0.44891730
  -0.04117271  0.15630104  0.40766414
   0.02469848  0.04759777  0.56998635
   0.45785318  0.24629553  0.79150426
   0.07276399  0.29958648  0.54765177
   0.35788301  0.47177091  0.83872470
   0.48665295  0.43953118  0.66920981
   0.24582616  0.34604260  0.68539702
   0.24236980  0.16276788 -0.13038763
   0.00188115  0.11848874  0.95113233
   0.08770033  0.58830764  0.06630735
   0.39993322  0.68332124  0.25686090
   0.11365920  0.86654258  0.02740519
   0.35250707  0.94223492  0.33622736
   0.42095816  0.88281130  0.14884536
   0.17945240  0.81938537  0.21092413
   0.31268357  0.65484072  0.42793148
   0.05584586  0.60699233  0.40544857
   0.19163385  0.54119170  0.57070166
   0.34768747  0.70983458  0.76616906
   0.13247178  0.79410230  0.52367747
   0.40438544  0.97966861  0.79788288
   0.45400317  0.88589984  0.63239591
   0.19389247  0.91290001  0.68631065
   0.30311059  0.66907996 -0.02735539
   0.03318618  0.69084698  0.89994160
   0.60269488  0.05460320  0.10721190
   0.85454351  0.17564846  0.24795629
   0.61333285  0.29280575  0.01750438
   0.86681667  0.42506478  0.37571390
   0.02481202  0.36937041  0.17143824
   0.76759088  0.40276583  0.17010144
   0.70946009  0.13879622  0.39054150
   0.45807942  0.14529345  0.43233271
   0.64476617  0.07278896  0.57750646
   0.82802704  0.21453885  0.80415269
   0.61030604  0.32523088  0.52023185
   0.88548347  0.46564088  0.84686328
   0.98153244  0.47861166  0.66170958
   0.74598019  0.38426978  0.67363433
   0.73282952  0.07729269  0.94559074
   0.46990577  0.08431626  0.95625818
   0.59528071  0.54734741  0.06940043
   0.86570762  0.65408919  0.27156836
   0.60026710  0.81664169  0.01448668
   0.87091327  0.92721278  0.32510706
   0.92867271  0.85032444  0.14740902
   0.69011891  0.82543078  0.19622734
   0.79273587  0.69009875  0.44076048
   0.57155091  0.55514666  0.37757386
   0.61251587  0.58687200  0.55457783
   0.80341920  0.70631602  0.79170513
   0.55899988  0.80805674  0.44729023
   0.89901635  0.96099735  0.82732080
   0.92041756  0.84587004  0.65260996
   0.68383800  0.92833640  0.72607317
   0.79877310  0.62992715  0.98513625
   0.54448153  0.66149837  0.88923691
   0.69056084  0.80842280  0.57474982
   0.45435992  0.81310282  0.42050089
   0.87015364  0.20163685  0.06680514
   0.82164446  0.48648327  0.15291617
   0.30429374  0.13157158  0.64886069
   0.29411773  0.79429015  0.78871918
   0.15934568  1.10854854  0.18352102
   0.20669926  1.12508509  0.04598020
   0.64063324  0.41212913  0.84619450
   0.90498521  0.45208924  0.62467618
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912621    0.409043   -0.216136
    -0.000000    9.807642   -0.024165
    -0.000000    0.000000   13.922216
   Si   O    H 
    32    64    10
Direct configuration=  2297
   0.14626990  0.18463225 -0.04010526
   0.33144650  0.10031133  0.36750000
   0.11963539  0.42683636  0.09443594
   0.37396580  0.32694182  0.22984676
   0.07577670  0.16129823  0.49158787
   0.40336160  0.12582258  0.85749977
   0.11914165  0.41457249  0.62028001
   0.38244607  0.37708741  0.74201351
   0.13399667  0.70013451 -0.00525135
   0.41058417  0.58101564  0.34588918
   0.07972155  0.90104630  0.13822847
   0.33680967  0.84221970  0.24157496
   0.17196099  0.65623802  0.48042494
   0.38239420  0.63055357  0.86571039
   0.06574006  0.89374107  0.60428830
   0.34272767  0.98034320  0.68566116
   0.61155787  0.13187370  1.00570766
   0.85078460  0.09270224  0.34207175
   0.61018675  0.39899637  0.10898378
   0.89367780  0.26939859  0.16057084
   0.60847104  0.17867421  0.48083118
   0.86270945  0.10011227  0.88515167
   0.61822757  0.43951034  0.60259910
   0.76931022  0.37605982  0.79401143
   0.63731013  0.65583681 -0.01027592
   0.89715929  0.58464960  0.37645417
   0.58044613  0.89080866  0.11751159
   0.84603860  0.81680799  0.24133345
   0.63737429  0.66253707  0.45265918
   0.88268506  0.62259815  0.88203956
   0.60629834  0.92336363  0.62030680
   0.83038552  0.86377806  0.74851449
   0.07262531  0.06075657  0.18061140
   0.30998868  0.19042425  0.27074967
   0.12283620  0.35359605 -0.01676711
   0.37106985  0.42620893  0.32032367
   0.52934979  0.31375028  0.18528993
   0.27116736  0.39922941  0.14447241
   0.21513229  0.11891361  0.44806659
  -0.04184560  0.15761788  0.40849899
   0.02474293  0.04693435  0.56914902
   0.45740593  0.24640399  0.79034554
   0.07096720  0.29864605  0.54929332
   0.35790078  0.47189745  0.83891353
   0.48693475  0.43982186  0.66903526
   0.24758168  0.34570003  0.68509445
   0.24101339  0.15989475 -0.12988013
   0.00112342  0.11919720  0.95225467
   0.08610965  0.58914811  0.06578291
   0.39970362  0.68363022  0.25830899
   0.11427782  0.86699490  0.02790198
   0.35243104  0.94266813  0.33712196
   0.42017465  0.88184876  0.14890914
   0.18013741  0.82004977  0.20949933
   0.31451116  0.65344699  0.42769162
   0.05705239  0.60766958  0.40449553
   0.19053239  0.54094031  0.57189574
   0.34811847  0.71173350  0.76609794
   0.13148561  0.79420086  0.52325542
   0.40550660  0.97931011  0.79884900
   0.45434508  0.88543550  0.63268420
   0.19315742  0.91350864  0.68495278
   0.30138864  0.67114403 -0.02752096
   0.03262780  0.69000259  0.89987259
   0.60305807  0.05535503  0.10810904
   0.85288565  0.17569187  0.24847021
   0.61393237  0.29201472  0.01717427
   0.86665384  0.42673707  0.37564133
   0.02356882  0.37079928  0.17128845
   0.76983922  0.40368452  0.17124881
   0.70846819  0.13831367  0.39101184
   0.45881262  0.14573588  0.43203315
   0.64544647  0.07213718  0.57743060
   0.82758867  0.21448198  0.80419479
   0.61046666  0.32513436  0.51871757
   0.88575446  0.46619338  0.84609043
   0.98003615  0.47917978  0.66253910
   0.74512219  0.38337226  0.67214007
   0.73444576  0.07530436  0.94473182
   0.46919428  0.08475838  0.95607757
   0.59695503  0.54578804  0.06948469
   0.86399615  0.65242490  0.27041868
   0.60194871  0.81596687  0.01281149
   0.86924542  0.92777870  0.32464567
   0.92807896  0.85211687  0.14592506
   0.69060064  0.82631146  0.19590228
   0.79548623  0.69046046  0.44002184
   0.57116524  0.55270960  0.37838777
   0.61191748  0.58754519  0.55451155
   0.80284279  0.70680667  0.79273898
   0.55917560  0.80774267  0.44594468
   0.89826830  0.96034758  0.82603622
   0.92108391  0.84566494  0.65306999
   0.68453141  0.92936328  0.72774318
   0.80216712  0.62885986  0.98383834
   0.54471437  0.66038553  0.88948101
   0.68601342  0.80807335  0.57110796
   0.44907401  0.81172035  0.41774596
   0.87240905  0.20233378  0.07118946
   0.81428991  0.47447857  0.14372323
   0.30933315  0.12934972  0.65056566
   0.29640134  0.78026611  0.78651562
   0.16057504  1.10691707  0.17775999
   0.20714244  1.12113985  0.03888714
   0.65007120  0.40545973  0.84740219
   0.90532837  0.44885162  0.62237584
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913697    0.408585   -0.216635
    -0.000000    9.803684   -0.023063
    -0.000000    0.000000   13.922682
   Si   O    H 
    32    64    10
Direct configuration=  2298
   0.14606749  0.18365293 -0.04047439
   0.33058436  0.09907096  0.36678482
   0.11968792  0.42654703  0.09408335
   0.37425893  0.32791131  0.23015892
   0.07571814  0.16152319  0.49244284
   0.40300193  0.12495085  0.85653577
   0.12014200  0.41438102  0.62104761
   0.38253863  0.37674871  0.74209179
   0.13590673  0.70004288 -0.00509777
   0.41061521  0.58106466  0.34638719
   0.07891633  0.90037432  0.13805788
   0.33635563  0.84209806  0.24134183
   0.17190643  0.65578084  0.48018700
   0.38185213  0.63248475  0.86578596
   0.06570990  0.89370294  0.60441075
   0.34222146  0.98011986  0.68491911
   0.61230235  0.13169328  1.00618468
   0.85069210  0.09381633  0.34210115
   0.61064753  0.39776140  0.10807074
   0.89511026  0.26891400  0.16016902
   0.60949246  0.17916589  0.48112672
   0.86361655  0.09985889  0.88510648
   0.61917552  0.43878043  0.60290436
   0.76756253  0.37520323  0.79358412
   0.63817519  0.65604248 -0.01101921
   0.89667689  0.58508375  0.37688593
   0.58052424  0.88976063  0.11740270
   0.84546799  0.81607348  0.24175895
   0.63593347  0.66174010  0.45251025
   0.88257887  0.62326536  0.88154937
   0.60694686  0.92297547  0.62000610
   0.82965756  0.86318155  0.74837935
   0.07497077  0.06163810  0.18091958
   0.30829844  0.19014152  0.27087128
   0.12102200  0.35357176 -0.01633881
   0.37252696  0.42831350  0.31942955
   0.53034847  0.31361016  0.18573736
   0.27096186  0.39913600  0.14558427
   0.21479173  0.11684364  0.44701461
  -0.04140312  0.15857953  0.40938573
   0.02386125  0.04582679  0.56858226
   0.45718420  0.24525082  0.78925985
   0.06868549  0.29769169  0.55160507
   0.35775121  0.47176393  0.83899514
   0.48714824  0.44125948  0.66829950
   0.24866578  0.34574929  0.68502223
   0.23978042  0.15711600 -0.12936665
  -0.00047952  0.12028399  0.95362684
   0.08397056  0.58980389  0.06551549
   0.39959912  0.68394095  0.25927833
   0.11506652  0.86710152  0.02813307
   0.35212177  0.94303766  0.33756173
   0.41994080  0.88097387  0.14898249
   0.18110968  0.82134953  0.20862787
   0.31651268  0.65289930  0.42750771
   0.05874813  0.60795626  0.40307805
   0.18989188  0.54074543  0.57234666
   0.34894105  0.71185928  0.76585204
   0.12982124  0.79436162  0.52330166
   0.40642284  0.97994458  0.80019970
   0.45518316  0.88434069  0.63214091
   0.19253788  0.91297117  0.68345602
   0.29936806  0.67277945 -0.02854250
   0.03130899  0.68837183  0.89984194
   0.60405721  0.05525391  0.10871342
   0.85212093  0.17618140  0.24818348
   0.61398509  0.29180928  0.01659977
   0.86653813  0.42935602  0.37585765
   0.02219212  0.37119578  0.17116940
   0.77052306  0.40379051  0.17209603
   0.70794400  0.13766046  0.39148755
   0.45970109  0.14618692  0.43188970
   0.64577949  0.07207702  0.57665772
   0.82737289  0.21454342  0.80384042
   0.61079378  0.32571972  0.51826901
   0.88615077  0.46623619  0.84561302
   0.97881497  0.47991338  0.66358972
   0.74527647  0.38210403  0.67071715
   0.73569420  0.07329196  0.94417753
   0.46843218  0.08554959  0.95636883
   0.59822060  0.54473241  0.07005196
   0.86180715  0.65149697  0.26905656
   0.60264841  0.81549643  0.01180668
   0.86738510  0.92794844  0.32466169
   0.92750298  0.85270722  0.14428797
   0.69012915  0.82755815  0.19568042
   0.79812928  0.69082916  0.43845299
   0.56988896  0.55078141  0.37856780
   0.61107643  0.58842523  0.55464176
   0.80248180  0.70747060  0.79411745
   0.55801107  0.80761035  0.44401456
   0.89777893  0.96042370  0.82503216
   0.92185019  0.84472497  0.65334180
   0.68414638  0.93081403  0.72933309
   0.80532404  0.62834123  0.98271191
   0.54496864  0.65890190  0.88957320
   0.67756238  0.80964351  0.56915912
   0.46023934  0.80983488  0.42158554
   0.87111378  0.20121833  0.07100981
   0.81388659  0.47775422  0.13289714
   0.31286354  0.12021528  0.65095018
   0.28352346  0.78780729  0.78753168
   0.15759752  1.10270452  0.17454365
   0.21356380  1.11479800  0.04091637
   0.65593275  0.39990978  0.84899905
   0.90340997  0.44667319  0.62096034
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915303    0.408098   -0.216488
    -0.000000    9.799796   -0.022402
    -0.000000    0.000000   13.923238
   Si   O    H 
    32    64    10
Direct configuration=  2299
   0.14632499  0.18252717 -0.04051176
   0.32994480  0.09799712  0.36614085
   0.11954097  0.42619361  0.09344208
   0.37414422  0.32804923  0.23026622
   0.07549306  0.16142531  0.49300094
   0.40251971  0.12423974  0.85594704
   0.12074899  0.41460141  0.62206856
   0.38294298  0.37699069  0.74197344
   0.13829128  0.70006219 -0.00537795
   0.41074937  0.58084454  0.34695258
   0.07846767  0.89967773  0.13764143
   0.33589883  0.84222658  0.24128676
   0.17187289  0.65441874  0.48038712
   0.38171366  0.63417858  0.86591135
   0.06578410  0.89400976  0.60477401
   0.34166887  0.98013367  0.68455336
   0.61281634  0.13065705  1.00634822
   0.85065081  0.09446942  0.34246554
   0.61116682  0.39580109  0.10736874
   0.89631773  0.26877404  0.15981394
   0.61041377  0.17963142  0.48127880
   0.86492307  0.09940433  0.88461675
   0.61975518  0.43834521  0.60369415
   0.76628872  0.37371067  0.79273906
   0.63971417  0.65663516 -0.01173069
   0.89689266  0.58626279  0.37720542
   0.58069292  0.88929808  0.11755584
   0.84487354  0.81514671  0.24204310
   0.63484682  0.66038859  0.45255829
   0.88228512  0.62433484  0.88100598
   0.60777149  0.92299044  0.61961754
   0.82943468  0.86255088  0.74817524
   0.07643694  0.06247446  0.18127944
   0.30684024  0.19018853  0.27112033
   0.11939630  0.35322087 -0.01561957
   0.37289372  0.42955964  0.31876115
   0.53060912  0.31370527  0.18635778
   0.27142302  0.39872782  0.14638509
   0.21497688  0.11503079  0.44591265
  -0.04049010  0.15916244  0.41053942
   0.02309383  0.04480426  0.56729269
   0.45767984  0.24308700  0.78814881
   0.06724173  0.29634143  0.55355083
   0.35710178  0.47187917  0.83929534
   0.48764201  0.44224171  0.66826323
   0.24841953  0.34643503  0.68469425
   0.23842020  0.15453173 -0.12853535
  -0.00312042  0.12178390  0.95381258
   0.08206575  0.58942848  0.06561977
   0.39907267  0.68419833  0.26077829
   0.11587894  0.86664298  0.02791412
   0.35104715  0.94347338  0.33803705
   0.42054384  0.88061993  0.14889458
   0.18161656  0.82223169  0.20788857
   0.31850067  0.65269445  0.42782003
   0.06072172  0.60725695  0.40140693
   0.18953872  0.54104284  0.57218089
   0.34954583  0.71309044  0.76591094
   0.12703782  0.79569115  0.52400014
   0.40690451  0.98050201  0.80096887
   0.45559102  0.88285132  0.63205895
   0.19173838  0.91283985  0.68203234
   0.29701028  0.67398855 -0.03051782
   0.03045812  0.68739741  0.90020435
   0.60547611  0.05485670  0.10858076
   0.85106035  0.17703234  0.24739767
   0.61404357  0.29220247  0.01592770
   0.86579843  0.43106427  0.37612635
   0.02089387  0.37068448  0.17116632
   0.77128633  0.40471637  0.17279813
   0.70739938  0.13682183  0.39192761
   0.46098379  0.14641852  0.43174717
   0.64656749  0.07189416  0.57595331
   0.82739520  0.21526655  0.80315997
   0.61065448  0.32697496  0.51846406
   0.88631131  0.46592453  0.84564748
   0.97770228  0.48016039  0.66433684
   0.74500337  0.38104041  0.66976598
   0.73665454  0.07196502  0.94432657
   0.46855780  0.08586648  0.95704141
   0.59937878  0.54402192  0.07010305
   0.86026861  0.65045656  0.26747558
   0.60286189  0.81505944  0.01113412
   0.86581429  0.92751812  0.32439750
   0.92692888  0.85378443  0.14299964
   0.68945670  0.82985420  0.19598039
   0.80055108  0.69024849  0.43779273
   0.56824132  0.54943184  0.37905766
   0.61064165  0.58885760  0.55478696
   0.80229607  0.70843599  0.79559974
   0.55613679  0.80863346  0.44222975
   0.89724731  0.96051509  0.82414145
   0.92363175  0.84435375  0.65357015
   0.68373499  0.93181452  0.73090484
   0.80762746  0.62776231  0.98167890
   0.54485276  0.65712072  0.88966511
   0.66937014  0.81497069  0.57104943
   0.47586193  0.80866168  0.42579000
   0.86699606  0.19749826  0.06881481
   0.81475302  0.48078302  0.12567924
   0.31737057  0.11009593  0.64849961
   0.27511825  0.79395232  0.78586819
   0.16426043  1.10559710  0.17019113
   0.22044664  1.10960731  0.04414876
   0.65427376  0.39648221  0.85049704
   0.90431514  0.44477910  0.62419752
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916899    0.407381   -0.216368
    -0.000000    9.795905   -0.022031
    -0.000000    0.000000   13.923777
   Si   O    H 
    32    64    10
Direct configuration=  2300
   0.14623077  0.18193290 -0.04022290
   0.32983956  0.09715755  0.36621375
   0.11944510  0.42590050  0.09242737
   0.37394257  0.32820764  0.23025778
   0.07519087  0.16052265  0.49349034
   0.40200453  0.12392222  0.85533188
   0.12079898  0.41466084  0.62341008
   0.38399748  0.37742496  0.74215428
   0.14041030  0.70102213 -0.00588960
   0.41070546  0.58056777  0.34717337
   0.07797072  0.89942777  0.13740523
   0.33566996  0.84173706  0.24214377
   0.17176157  0.65321158  0.48025333
   0.38143877  0.63606646  0.86688871
   0.06530380  0.89457438  0.60571893
   0.34143413  0.98043553  0.68479238
   0.61311490  0.12980176  1.00645049
   0.85023480  0.09475884  0.34279103
   0.61180186  0.39330173  0.10711864
   0.89702261  0.26881794  0.15959460
   0.61103728  0.17890602  0.48138819
   0.86643711  0.09930320  0.88415817
   0.62023789  0.43815523  0.60437108
   0.76596586  0.37240213  0.79152946
   0.64095267  0.65717225 -0.01284811
   0.89694062  0.58721895  0.37749716
   0.58047249  0.88918289  0.11766321
   0.84405479  0.81376444  0.24211470
   0.63367609  0.65920509  0.45273161
   0.88248810  0.62527118  0.88030923
   0.60880151  0.92377181  0.61947760
   0.82927258  0.86119729  0.74812254
   0.07893563  0.06322625  0.18116015
   0.30512526  0.18986192  0.27124119
   0.11783926  0.35211953 -0.01454198
   0.37323477  0.43094850  0.31811325
   0.53053101  0.31473091  0.18683909
   0.27139591  0.39781148  0.14720503
   0.21560895  0.11379627  0.44543509
  -0.03965614  0.15909650  0.41186557
   0.02271507  0.04423128  0.56636380
   0.45870826  0.24031268  0.78715000
   0.06559453  0.29553869  0.55485654
   0.35642680  0.47163660  0.83969330
   0.48772245  0.44338851  0.66821178
   0.24789527  0.34701639  0.68455407
   0.23724561  0.15258589 -0.12763833
  -0.00604628  0.12385675  0.95378303
   0.08026745  0.58799092  0.06607544
   0.39855626  0.68464741  0.26227823
   0.11683575  0.86554152  0.02722572
   0.35005057  0.94305549  0.33829828
   0.42115078  0.88037912  0.14897633
   0.18283488  0.82230888  0.20741051
   0.32046459  0.65313077  0.42773550
   0.06212179  0.60641778  0.39963703
   0.18897211  0.54183667  0.57175054
   0.34927372  0.71488177  0.76648184
   0.12445567  0.79694225  0.52445882
   0.40718430  0.98045951  0.80056625
   0.45554506  0.88120345  0.63153437
   0.19115262  0.91316187  0.68085182
   0.29536496  0.67546480 -0.03231314
   0.02923377  0.68617660  0.90044681
   0.60715087  0.05489429  0.10850400
   0.85005917  0.17809640  0.24614142
   0.61445713  0.29244780  0.01531964
   0.86566831  0.43260856  0.37689336
   0.01904135  0.37042796  0.17135628
   0.77155295  0.40542980  0.17289456
   0.70698625  0.13666573  0.39270465
   0.46131236  0.14695899  0.43172458
   0.64741815  0.07196339  0.57522255
   0.82638925  0.21638800  0.80291809
   0.61004145  0.32878284  0.51870442
   0.88671525  0.46481463  0.84585628
   0.97670073  0.48024043  0.66504580
   0.74511684  0.38016002  0.66917440
   0.73773372  0.07035019  0.94516376
   0.46896767  0.08559246  0.95799561
   0.60012853  0.54396451  0.06922705
   0.85913296  0.65048688  0.26602223
   0.60288418  0.81444737  0.01105219
   0.86462408  0.92611774  0.32449823
   0.92527951  0.85447671  0.14148000
   0.68796864  0.83230007  0.19549155
   0.80145414  0.68944400  0.43800755
   0.56703229  0.54880214  0.37922854
   0.61079608  0.58967980  0.55510593
   0.80297063  0.70900837  0.79605465
   0.55621465  0.80957114  0.44110092
   0.89713474  0.96089433  0.82342115
   0.92498398  0.84497781  0.65383363
   0.68345585  0.93245369  0.73211629
   0.80734793  0.62767965  0.98075102
   0.54432749  0.65503016  0.88942836
   0.66928238  0.81802762  0.57305967
   0.44611625  0.80960983  0.42327411
   0.86309041  0.19661689  0.06922579
   0.81222317  0.47832388  0.12495133
   0.32280696  0.10772795  0.64434604
   0.27712963  0.79056550  0.78118470
   0.16692548  1.10562109  0.16550406
   0.22539739  1.11201578  0.04617710
   0.64718360  0.39076713  0.85084548
   0.90555253  0.43905110  0.62697195
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918303    0.407397   -0.215894
    -0.000000    9.791709   -0.021705
    -0.000000    0.000000   13.924270
   Si   O    H 
    32    64    10
Direct configuration=  2301
   0.14527284  0.18165164 -0.03950384
   0.32932739  0.09663912  0.36653482
   0.12037413  0.42580197  0.09109453
   0.37357052  0.32879603  0.23054454
   0.07536093  0.15924981  0.49403581
   0.40174669  0.12343101  0.85524813
   0.12145812  0.41490858  0.62483170
   0.38563444  0.37740521  0.74246232
   0.14177118  0.70188269 -0.00639267
   0.41107271  0.58045759  0.34741956
   0.07770458  0.89937002  0.13685257
   0.33602315  0.84106904  0.24313764
   0.17179385  0.65210279  0.48011031
   0.38056345  0.63735944  0.86806398
   0.06552576  0.89532569  0.60667797
   0.34148478  0.98098552  0.68530505
   0.61224728  0.12884955  1.00668878
   0.84930658  0.09508312  0.34315652
   0.61251286  0.39036894  0.10713013
   0.89725733  0.26941036  0.15984520
   0.61193270  0.17785590  0.48123277
   0.86776431  0.09988964  0.88308694
   0.62026771  0.43849543  0.60488231
   0.76573815  0.37130822  0.79028381
   0.64197671  0.65734309 -0.01400134
   0.89708535  0.58778843  0.37730480
   0.57971171  0.88971401  0.11804218
   0.84318130  0.81253232  0.24219324
   0.63284515  0.65777388  0.45247539
   0.88280526  0.62597668  0.87928937
   0.60988972  0.92474367  0.61969079
   0.82928179  0.85998143  0.74804953
   0.08192531  0.06374262  0.18047739
   0.30434670  0.18934907  0.27137478
   0.11624250  0.35134713 -0.01351154
   0.37398645  0.43149616  0.31739469
   0.53077384  0.31593928  0.18780579
   0.27146621  0.39751085  0.14761198
   0.21615204  0.11314388  0.44498826
  -0.03910880  0.15854205  0.41288525
   0.02270534  0.04374307  0.56572409
   0.45940051  0.23772171  0.78633333
   0.06417318  0.29395942  0.55531599
   0.35540152  0.47155930  0.83978995
   0.48755648  0.44410781  0.66854211
   0.24687643  0.34765940  0.68450897
   0.23573766  0.15076907 -0.12716926
  -0.00902872  0.12496996  0.95308378
   0.07846546  0.58641549  0.06630904
   0.39775160  0.68560523  0.26298926
   0.11791359  0.86479737  0.02683378
   0.34962721  0.94189743  0.33815641
   0.42218991  0.87974958  0.14904987
   0.18376082  0.82209455  0.20770530
   0.32204691  0.65338536  0.42800213
   0.06306349  0.60615624  0.39842305
   0.18826684  0.54145443  0.57093079
   0.34884448  0.71643762  0.76678352
   0.12301257  0.79716295  0.52425526
   0.40654648  0.97994270  0.79952446
   0.45619702  0.88050093  0.63151848
   0.19167930  0.91290324  0.67959663
   0.29343012  0.67717465 -0.03400420
   0.02840542  0.68590351  0.90074042
   0.60905675  0.05440118  0.10869600
   0.84972544  0.18057056  0.24468562
   0.61480647  0.29266821  0.01471642
   0.86483780  0.43391347  0.37675532
   0.01730792  0.37081675  0.17126345
   0.77106041  0.40614092  0.17259851
   0.70703663  0.13695371  0.39336149
   0.46140713  0.14773505  0.43216062
   0.64729329  0.07171625  0.57439070
   0.82510139  0.21750553  0.80312786
   0.60915368  0.33051707  0.51895260
   0.88723572  0.46447582  0.84592935
   0.97643005  0.48042171  0.66622685
   0.74449765  0.37941850  0.66909884
   0.73809116  0.06948008  0.94621581
   0.47008846  0.08572251  0.95926531
   0.60032630  0.54419721  0.06861232
   0.85882576  0.65105006  0.26484796
   0.60391427  0.81448852  0.01147795
   0.86280767  0.92533763  0.32427867
   0.92332771  0.85416080  0.14044621
   0.68708225  0.83387971  0.19481886
   0.80181344  0.68857636  0.43796200
   0.56718739  0.54883793  0.37923662
   0.61082910  0.59109871  0.55582585
   0.80287726  0.71022957  0.79646631
   0.55533202  0.81128642  0.43963170
   0.89738469  0.96208686  0.82293310
   0.92650553  0.84577227  0.65404600
   0.68371887  0.93314769  0.73244501
   0.80665603  0.62853845  0.97986626
   0.54346492  0.65269243  0.88981332
   0.67831010  0.81238483  0.57032595
   0.43433526  0.81346899  0.42440815
   0.86121543  0.20028780  0.06878288
   0.81070497  0.46889977  0.12978500
   0.32332053  0.11304417  0.64112378
   0.28340602  0.78149089  0.77414684
   0.16959602  1.10222311  0.16226674
   0.23081311  1.11470963  0.04351836
   0.63650220  0.39122752  0.85051525
   0.90764793  0.43467005  0.62994197
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919503    0.407296   -0.215270
    -0.000000    9.788017   -0.021892
    -0.000000    0.000000   13.924195
   Si   O    H 
    32    64    10
Direct configuration=  2302
   0.14433808  0.18206770 -0.03820277
   0.32879014  0.09669899  0.36701203
   0.12144429  0.42523073  0.09024542
   0.37309111  0.32961809  0.23040520
   0.07533921  0.15804866  0.49404051
   0.40126395  0.12265251  0.85537466
   0.12225534  0.41549361  0.62609770
   0.38723686  0.37687371  0.74297201
   0.14261052  0.70232240 -0.00711802
   0.41172379  0.57994790  0.34761834
   0.07701708  0.89930014  0.13649439
   0.33642543  0.84008607  0.24448571
   0.17171415  0.65127339  0.48022301
   0.37980565  0.63847302  0.86920431
   0.06595710  0.89618023  0.60755192
   0.34125461  0.98111024  0.68565548
   0.61166485  0.12757024  1.00665437
   0.84838508  0.09551801  0.34326433
   0.61383138  0.38781878  0.10722816
   0.89770260  0.26981690  0.16007985
   0.61219375  0.17567074  0.48081494
   0.86884840  0.10045704  0.88224319
   0.61995988  0.43930992  0.60517677
   0.76559156  0.37048748  0.78933086
   0.64291700  0.65753181 -0.01474855
   0.89750552  0.58799548  0.37700387
   0.57979465  0.88981952  0.11814622
   0.84253207  0.81115187  0.24162072
   0.63153499  0.65551230  0.45203257
   0.88335739  0.62630439  0.87773298
   0.61104476  0.92498486  0.61958501
   0.82914639  0.85880214  0.74796920
   0.08522709  0.06427284  0.18007368
   0.30405988  0.18937648  0.27134337
   0.11543156  0.35083939 -0.01257582
   0.37623054  0.43116513  0.31672710
   0.53078182  0.31756161  0.18896670
   0.27140258  0.39766461  0.14770247
   0.21690302  0.11261634  0.44493425
  -0.03880633  0.15872279  0.41336623
   0.02225838  0.04236174  0.56485617
   0.45986452  0.23599838  0.78501695
   0.06319909  0.29266652  0.55617901
   0.35430567  0.47166225  0.83988066
   0.48721613  0.44400047  0.66932368
   0.24612153  0.34817357  0.68487254
   0.23478687  0.14837677 -0.12687088
  -0.01184492  0.12548768  0.95269938
   0.07624483  0.58539789  0.06602567
   0.39800686  0.68648189  0.26378323
   0.11929991  0.86410970  0.02672289
   0.34971947  0.94060757  0.33746488
   0.42279408  0.87874857  0.14874999
   0.18535288  0.82203297  0.20842527
   0.32355779  0.65357740  0.42857574
   0.06353246  0.60657025  0.39722327
   0.18812070  0.54168704  0.57011683
   0.34893385  0.71808853  0.76693948
   0.12185939  0.79711616  0.52336003
   0.40584776  0.97978471  0.79784007
   0.45606126  0.88075436  0.63175226
   0.19204235  0.91314858  0.67854388
   0.29258308  0.67905509 -0.03560680
   0.02728030  0.68576465  0.90144238
   0.61090884  0.05366817  0.10926901
   0.84938602  0.18246187  0.24358885
   0.61485895  0.29381037  0.01384183
   0.86440638  0.43467248  0.37632970
   0.01556801  0.37149157  0.17085478
   0.76992821  0.40685478  0.17228723
   0.70762220  0.13700721  0.39381154
   0.46073206  0.14834486  0.43201609
   0.64743262  0.07153261  0.57316520
   0.82394723  0.21747260  0.80329036
   0.60873335  0.33267712  0.51928145
   0.88744557  0.46487177  0.84590751
   0.97688620  0.47942950  0.66745003
   0.74469557  0.37929836  0.66959761
   0.73800459  0.06875795  0.94704576
   0.47096199  0.08593220  0.96008631
   0.60055376  0.54429527  0.06782631
   0.85940789  0.65068438  0.26385831
   0.60464570  0.81515038  0.01193292
   0.86118262  0.92516404  0.32427663
   0.92176828  0.85328771  0.14023648
   0.68579090  0.83575745  0.19437290
   0.80126018  0.68788101  0.43843528
   0.56717377  0.54882191  0.37860367
   0.61045265  0.59232655  0.55689807
   0.80293847  0.71165845  0.79615803
   0.55281005  0.81326278  0.43798695
   0.89803550  0.96255504  0.82311463
   0.92817870  0.84664490  0.65409656
   0.68332463  0.93413575  0.73247485
   0.80528495  0.62910833  0.97889486
   0.54212088  0.65051903  0.88993288
   0.68567125  0.81004781  0.56971707
   0.44333074  0.81845833  0.42898194
   0.86075226  0.20385596  0.06889768
   0.81465748  0.46620322  0.13496428
   0.32464664  0.12075755  0.63820084
   0.27425354  0.78692220  0.76629286
   0.17069779  1.09749622  0.16106861
   0.23002104  1.12252371  0.03833309
   0.62694104  0.39454018  0.84779538
   0.90715847  0.42673693  0.63155822
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920814    0.406821   -0.214529
    -0.000000    9.784314   -0.021979
    -0.000000    0.000000   13.924452
   Si   O    H 
    32    64    10
Direct configuration=  2303
   0.14359917  0.18285916 -0.03677594
   0.32869984  0.09720454  0.36784663
   0.12274268  0.42458505  0.08973442
   0.37250568  0.33009641  0.23034993
   0.07503086  0.15672439  0.49407463
   0.40095452  0.12202647  0.85516173
   0.12251372  0.41539598  0.62690201
   0.38925063  0.37716733  0.74368278
   0.14343872  0.70256045 -0.00791066
   0.41235490  0.57971595  0.34782212
   0.07646415  0.89990930  0.13634539
   0.33761580  0.83874597  0.24534868
   0.17154088  0.65063560  0.48026113
   0.37901849  0.63911858  0.86970160
   0.06581241  0.89740978  0.60851866
   0.34066946  0.98110896  0.68592855
   0.61063185  0.12695367  1.00651272
   0.84740491  0.09642105  0.34346456
   0.61525610  0.38531930  0.10746741
   0.89810636  0.26989202  0.16070631
   0.61228324  0.17361790  0.48056091
   0.86880431  0.10094026  0.88180783
   0.61981539  0.44049570  0.60555108
   0.76559490  0.37076718  0.78873000
   0.64335804  0.65684748 -0.01518832
   0.89860681  0.58795089  0.37641173
   0.58013135  0.89013233  0.11819029
   0.84158907  0.80974191  0.24049274
   0.63039016  0.65392666  0.45173551
   0.88348991  0.62667415  0.87664234
   0.61323375  0.92457638  0.61921236
   0.82908810  0.85784004  0.74767695
   0.08751278  0.06420720  0.17958330
   0.30419949  0.18921219  0.27166970
   0.11474649  0.34944500 -0.01235499
   0.37866516  0.43066322  0.31603251
   0.53010215  0.31957474  0.19022437
   0.27145293  0.39787456  0.14770000
   0.21821866  0.11200449  0.44501834
  -0.03895491  0.15990643  0.41356958
   0.02152508  0.04055190  0.56494136
   0.46103327  0.23492489  0.78349700
   0.06269970  0.29149855  0.55695045
   0.35300848  0.47150673  0.83986920
   0.48804520  0.44438115  0.67046747
   0.24567008  0.34830744  0.68514115
   0.23497591  0.14591067 -0.12712559
  -0.01310902  0.12648012  0.95292742
   0.07518151  0.58408937  0.06543751
   0.39867044  0.68751313  0.26382985
   0.12042588  0.86330786  0.02667206
   0.35069301  0.93915887  0.33631194
   0.42296375  0.87739889  0.14824041
   0.18569457  0.82289049  0.20937217
   0.32462165  0.65318123  0.42949442
   0.06401562  0.60715377  0.39614841
   0.18812418  0.54108261  0.56954940
   0.34872922  0.71931328  0.76652758
   0.12037114  0.79665268  0.52201098
   0.40505838  0.97989135  0.79618085
   0.45613128  0.88189725  0.63165092
   0.19315585  0.91361040  0.67792718
   0.29242543  0.68108518 -0.03737687
   0.02704119  0.68554681  0.90214122
   0.61272760  0.05330107  0.10981601
   0.84883423  0.18323805  0.24340592
   0.61501772  0.29474413  0.01283698
   0.86403268  0.43562881  0.37614701
   0.01405192  0.37212412  0.17077051
   0.76836994  0.40714311  0.17199588
   0.70799613  0.13760830  0.39448867
   0.45935006  0.14720352  0.43205879
   0.64737403  0.07163402  0.57177722
   0.82270585  0.21711701  0.80361458
   0.60768251  0.33330800  0.51874290
   0.88715447  0.46529716  0.84567325
   0.97840083  0.47797159  0.66841856
   0.74506472  0.37940116  0.66999213
   0.73817349  0.06826696  0.94806220
   0.47203975  0.08573899  0.96030841
   0.60062995  0.54434733  0.06660545
   0.86015415  0.65000951  0.26265256
   0.60472574  0.81623531  0.01298553
   0.85971582  0.92634719  0.32493271
   0.92014192  0.85239886  0.14079989
   0.68503669  0.83659462  0.19504726
   0.80023053  0.68819878  0.43906829
   0.56788655  0.54759578  0.37787795
   0.61075753  0.59351585  0.55851760
   0.80350940  0.71255596  0.79637982
   0.55002847  0.81507505  0.43626091
   0.89888681  0.96240971  0.82357317
   0.92954050  0.84810815  0.65437730
   0.68278206  0.93538229  0.73224488
   0.80336266  0.62934816  0.97786593
   0.54098196  0.64877698  0.89047178
   0.69193170  0.81234564  0.57034974
   0.46590439  0.82098898  0.43233496
   0.86279706  0.21099747  0.06762491
   0.82454540  0.47828703  0.13771141
   0.32569993  0.12584961  0.63583862
   0.26550994  0.79103799  0.75791423
   0.17463614  1.09050575  0.16365158
   0.22808682  1.12779550  0.03531942
   0.62808957  0.39446497  0.84152254
   0.91046382  0.42334174  0.63326405
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922080    0.406591   -0.213536
    -0.000000    9.781025   -0.021540
    -0.000000    0.000000   13.924599
   Si   O    H 
    32    64    10
Direct configuration=  2304
   0.14233680  0.18354741 -0.03622328
   0.32942580  0.09759822  0.36872573
   0.12379828  0.42331511  0.08950308
   0.37220669  0.33054838  0.23016520
   0.07487899  0.15521403  0.49405346
   0.40037726  0.12177678  0.85448084
   0.12271218  0.41513828  0.62702807
   0.39072137  0.37685605  0.74445860
   0.14344821  0.70291148 -0.00804452
   0.41254762  0.57960586  0.34824285
   0.07579765  0.90049284  0.13617687
   0.33864955  0.83713237  0.24587547
   0.17151755  0.64964643  0.48004644
   0.37859289  0.64008830  0.86960401
   0.06567522  0.89874827  0.60947118
   0.34066191  0.98093898  0.68628986
   0.61004574  0.12684906  1.00624144
   0.84608118  0.09676820  0.34350438
   0.61685175  0.38378332  0.10753571
   0.89833690  0.27032030  0.16102112
   0.61205073  0.17170292  0.48036076
   0.86798726  0.10194459  0.88096902
   0.62005263  0.44141189  0.60562264
   0.76592141  0.37139807  0.78867991
   0.64395155  0.65689459 -0.01552846
   0.89993194  0.58810767  0.37576026
   0.58030354  0.89022533  0.11778278
   0.84102228  0.80845437  0.23932563
   0.62973076  0.65267410  0.45155063
   0.88390406  0.62651080  0.87605071
   0.61460295  0.92458804  0.61915926
   0.82902309  0.85687187  0.74758241
   0.08861305  0.06313717  0.17872834
   0.30486863  0.19050156  0.27166800
   0.11440118  0.34766857 -0.01233783
   0.37953509  0.43019574  0.31592127
   0.52922188  0.32143601  0.19071830
   0.27189652  0.39799497  0.14759411
   0.21890259  0.11129579  0.44531448
  -0.03980234  0.16004377  0.41326703
   0.02146522  0.03871812  0.56368160
   0.46179223  0.23400928  0.78185036
   0.06330684  0.29058030  0.55816183
   0.35177347  0.47168737  0.83968309
   0.48865701  0.44468479  0.67088772
   0.24552067  0.34933091  0.68538654
   0.23590296  0.14409523 -0.12756881
  -0.01363256  0.12729458  0.95371001
   0.07483043  0.58273766  0.06531023
   0.39918186  0.68775222  0.26376946
   0.12159792  0.86146997  0.02662718
   0.35259808  0.93728666  0.33501262
   0.42278745  0.87652464  0.14804877
   0.18544404  0.82399826  0.21038876
   0.32529799  0.65242582  0.43141482
   0.06419196  0.60802326  0.39514599
   0.18830362  0.54054591  0.56863445
   0.34780673  0.72106841  0.76559497
   0.11936630  0.79494632  0.52173355
   0.40388597  0.98077984  0.79422577
   0.45704894  0.88359262  0.63141291
   0.19384251  0.91487586  0.67735857
   0.29303951  0.68218705 -0.03866235
   0.02761498  0.68546040  0.90230882
   0.61353030  0.05255794  0.11065726
   0.84866595  0.18350874  0.24400488
   0.61565047  0.29461251  0.01211271
   0.86342426  0.43708960  0.37702147
   0.01334465  0.37337216  0.17049258
   0.76730388  0.40761288  0.17119608
   0.70966823  0.13785410  0.39558572
   0.45756929  0.14655367  0.43188043
   0.64731882  0.07182145  0.57041007
   0.82066197  0.21673599  0.80407247
   0.60595045  0.33310348  0.51827149
   0.88535015  0.46530646  0.84506724
   0.98034852  0.47674728  0.66900710
   0.74549872  0.37912951  0.67057521
   0.73832155  0.06802090  0.94891543
   0.47234852  0.08584965  0.95990178
   0.60028149  0.54391838  0.06528084
   0.86059210  0.65045097  0.26236471
   0.60486216  0.81757845  0.01425574
   0.85831518  0.92707300  0.32539008
   0.91931329  0.85150497  0.14157356
   0.68422220  0.83680201  0.19614238
   0.79852887  0.68832569  0.43955531
   0.56877714  0.54681431  0.37717631
   0.61243781  0.59485310  0.55969737
   0.80384558  0.71306201  0.79631364
   0.54989043  0.81606905  0.43473265
   0.90020211  0.96252196  0.82345527
   0.93096325  0.84896835  0.65489594
   0.68298009  0.93699174  0.73172888
   0.80138426  0.62926640  0.97745181
   0.53982597  0.64716906  0.89084089
   0.69552518  0.81808228  0.57349307
   0.45305340  0.82547668  0.43576499
   0.86423852  0.21858421  0.06711929
   0.82943202  0.49085183  0.14391973
   0.32406774  0.12537261  0.63435664
   0.26371909  0.78599006  0.75058301
   0.18589429  1.08933677  0.16598807
   0.22840791  1.13167187  0.03752607
   0.63731367  0.39730767  0.83434319
   0.91328499  0.42389362  0.63651732
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923728    0.406776   -0.212588
    -0.000000    9.777661   -0.020849
    -0.000000    0.000000   13.924589
   Si   O    H 
    32    64    10
Direct configuration=  2305
   0.14128629  0.18399875 -0.03583813
   0.33085709  0.09809317  0.36969712
   0.12462794  0.42249761  0.08937057
   0.37227551  0.33051813  0.22975159
   0.07458670  0.15373818  0.49387281
   0.39997671  0.12146020  0.85369005
   0.12319524  0.41560086  0.62703755
   0.39160174  0.37693117  0.74486462
   0.14270223  0.70333288 -0.00838957
   0.41246267  0.57996253  0.34895246
   0.07472020  0.90161730  0.13600211
   0.33933744  0.83565295  0.24618034
   0.17202845  0.64853047  0.47990775
   0.37841928  0.64019455  0.86939939
   0.06597031  0.89883233  0.60986134
   0.34115145  0.98030922  0.68669500
   0.61038811  0.12632307  1.00578180
   0.84534383  0.09676132  0.34365845
   0.61879977  0.38301544  0.10737786
   0.89846406  0.27026689  0.16174544
   0.61115671  0.17031595  0.48032583
   0.86664002  0.10253692  0.87975111
   0.61995358  0.44181403  0.60586238
   0.76635791  0.37212384  0.78851618
   0.64462330  0.65674728 -0.01584263
   0.90121593  0.58803611  0.37469913
   0.58009249  0.89023540  0.11755170
   0.84014205  0.80716915  0.23789582
   0.62911004  0.65223480  0.45166012
   0.88426136  0.62588495  0.87554108
   0.61598976  0.92431502  0.61928119
   0.82956519  0.85591901  0.74793073
   0.09031435  0.06189382  0.17714310
   0.30594384  0.19156836  0.27126408
   0.11423098  0.34499689 -0.01154791
   0.37875893  0.42983612  0.31653758
   0.52741011  0.32204612  0.19128112
   0.27226447  0.39854671  0.14791791
   0.21981631  0.11047092  0.44636902
  -0.04055764  0.16041566  0.41293788
   0.02151976  0.03788234  0.56182688
   0.46233546  0.23388427  0.78068717
   0.06400523  0.29025809  0.55929548
   0.35067440  0.47214433  0.83941745
   0.49017201  0.44542733  0.67173706
   0.24566735  0.34983151  0.68626685
   0.23631936  0.14284378 -0.12798089
  -0.01325152  0.12817484  0.95481149
   0.07525355  0.58093543  0.06507012
   0.40014491  0.68817432  0.26413288
   0.12282601  0.85979276  0.02666569
   0.35437013  0.93525155  0.33394537
   0.42262283  0.87576276  0.14817435
   0.18498121  0.82404163  0.21121737
   0.32558315  0.65124654  0.43330152
   0.06331724  0.60811242  0.39383032
   0.18823285  0.54056416  0.56783981
   0.34655183  0.72328975  0.76444988
   0.11869356  0.79407286  0.52112501
   0.40273553  0.98154493  0.79270472
   0.45724844  0.88534216  0.63132306
   0.19451990  0.91581848  0.67702170
   0.29365416  0.68239859 -0.03922738
   0.02907580  0.68554981  0.90198468
   0.61483719  0.05173744  0.11132137
   0.84834332  0.18359519  0.24456202
   0.61592000  0.29389413  0.01207639
   0.86318297  0.43762810  0.37795532
   0.01357893  0.37490349  0.17020405
   0.76692092  0.40919207  0.17010146
   0.71082051  0.13766216  0.39618373
   0.45689742  0.14579896  0.43236623
   0.64679537  0.07170212  0.56966917
   0.81927066  0.21618761  0.80445027
   0.60456072  0.33250444  0.51764311
   0.88428771  0.46503893  0.84406586
   0.98275670  0.47497898  0.66918194
   0.74594654  0.37885550  0.67150665
   0.73872095  0.06775171  0.94965235
   0.47239808  0.08601224  0.95936416
   0.59980050  0.54390138  0.06426484
   0.86157937  0.65148532  0.26173399
   0.60515273  0.81864549  0.01572887
   0.85796988  0.92737908  0.32600874
   0.91893076  0.85083569  0.14282162
   0.68378793  0.83583505  0.19745708
   0.79608832  0.68868318  0.44003433
   0.56919640  0.54537435  0.37665775
   0.61383130  0.59508586  0.56072311
   0.80446161  0.71407228  0.79599066
   0.55039332  0.81611074  0.43314526
   0.90127144  0.96238860  0.82396694
   0.93213774  0.84957463  0.65589419
   0.68223287  0.93789534  0.73085403
   0.79981685  0.62884225  0.97750566
   0.53908192  0.64505057  0.89078478
   0.69699514  0.82238069  0.57858771
   0.43923300  0.82845911  0.44034615
   0.86520110  0.22352049  0.06450999
   0.82399517  0.49312116  0.15530117
   0.32288086  0.11760763  0.63482370
   0.26765934  0.77589131  0.74524316
   0.18979707  1.08692961  0.16840355
   0.23247483  1.13425966  0.04339005
   0.64591895  0.40224958  0.82680308
   0.91198572  0.42395126  0.63951256
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925538    0.407313   -0.211475
    -0.000000    9.774916   -0.020204
    -0.000000    0.000000   13.925274
   Si   O    H 
    32    64    10
Direct configuration=  2306
   0.14042218  0.18413880 -0.03514323
   0.33264666  0.09817243  0.37049864
   0.12492906  0.42190957  0.08983959
   0.37229075  0.33007219  0.22889347
   0.07426532  0.15234359  0.49335370
   0.39901421  0.12165315  0.85301253
   0.12299705  0.41534757  0.62647463
   0.39205665  0.37749461  0.74539196
   0.14134004  0.70297192 -0.00847370
   0.41192565  0.58045897  0.34957171
   0.07494142  0.90215104  0.13626975
   0.34001215  0.83450640  0.24609691
   0.17284012  0.64737590  0.47972247
   0.37821730  0.64072305  0.86916226
   0.06601025  0.89857958  0.60993381
   0.34256631  0.98075757  0.68671283
   0.61071503  0.12590377  1.00538274
   0.84452719  0.09601789  0.34367294
   0.62033966  0.38270503  0.10695424
   0.89918227  0.26993412  0.16277831
   0.61069043  0.16863548  0.48056698
   0.86493698  0.10240224  0.87894979
   0.61945694  0.44156586  0.60586325
   0.76681361  0.37291042  0.78851273
   0.64454641  0.65725462 -0.01624546
   0.90196985  0.58786664  0.37396681
   0.57970319  0.88980886  0.11719663
   0.83905106  0.80684700  0.23682263
   0.62884919  0.65249703  0.45139240
   0.88474390  0.62574206  0.87520105
   0.61748795  0.92385147  0.61925930
   0.82989066  0.85511956  0.74831240
   0.09247172  0.06125536  0.17597132
   0.30658872  0.19310821  0.27096687
   0.11377038  0.34273725 -0.01103612
   0.37804622  0.43020651  0.31786968
   0.52644944  0.32273680  0.19240237
   0.27190314  0.39967847  0.14757980
   0.22001627  0.10946725  0.44746208
  -0.04105001  0.16003462  0.41252650
   0.02116441  0.03704210  0.56012259
   0.46267460  0.23393551  0.77959152
   0.06479599  0.29053108  0.56041580
   0.35041198  0.47259355  0.83877884
   0.49048587  0.44598465  0.67287739
   0.24681152  0.35035374  0.68735757
   0.23612060  0.14181466 -0.12796205
  -0.01208534  0.12851366  0.95580346
   0.07639125  0.57942427  0.06488963
   0.40057271  0.68847341  0.26484144
   0.12424902  0.85798011  0.02662595
   0.35633537  0.93413288  0.33364652
   0.42293272  0.87536564  0.14835401
   0.18423821  0.82447269  0.21250597
   0.32603601  0.65015700  0.43503773
   0.06238714  0.60863768  0.39270659
   0.18785846  0.54150837  0.56721562
   0.34528072  0.72408060  0.76406120
   0.11834322  0.79406726  0.52080733
   0.40155927  0.98174883  0.79144110
   0.45706411  0.88710347  0.63120076
   0.19573645  0.91650834  0.67700797
   0.29387289  0.68286203 -0.03934495
   0.03068363  0.68572267  0.90205997
   0.61568395  0.05145572  0.11205436
   0.84789408  0.18320536  0.24521243
   0.61619633  0.29223596  0.01232393
   0.86289051  0.43783381  0.37915047
   0.01372119  0.37702723  0.17009666
   0.76684480  0.41069872  0.16896936
   0.71162487  0.13776702  0.39680957
   0.45731000  0.14487560  0.43309494
   0.64637145  0.07162834  0.56934024
   0.81847715  0.21557566  0.80468210
   0.60308904  0.33113707  0.51705585
   0.88334456  0.46535769  0.84281271
   0.98524344  0.47308719  0.66991704
   0.74657725  0.37871948  0.67260468
   0.73989377  0.06734036  0.94993018
   0.47182601  0.08676851  0.95830897
   0.59944133  0.54398260  0.06341918
   0.86292501  0.65240486  0.26153967
   0.60462366  0.81929734  0.01647412
   0.85803841  0.92725932  0.32668470
   0.91864621  0.85087869  0.14399578
   0.68325551  0.83398507  0.19881609
   0.79327904  0.68901469  0.44102682
   0.56911268  0.54383783  0.37643775
   0.61491378  0.59578518  0.56155211
   0.80545289  0.71458736  0.79550641
   0.54999379  0.81609560  0.43192894
   0.90265192  0.96216502  0.82391770
   0.93192007  0.84945881  0.65712737
   0.68254108  0.93887962  0.73015116
   0.79878655  0.62916249  0.97691272
   0.53872631  0.64266501  0.89094110
   0.70410504  0.81787334  0.58076297
   0.43960784  0.82829320  0.44165884
   0.86568178  0.22589195  0.06285683
   0.81000529  0.49097831  0.16732015
   0.32470321  0.10591365  0.63503715
   0.26353180  0.76920990  0.74235831
   0.18472815  1.08733629  0.17041451
   0.23119772  1.13584413  0.04677358
   0.64377485  0.40971566  0.82242140
   0.90906460  0.42068108  0.64185420
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927080    0.406870   -0.210159
    -0.000000    9.772645   -0.019263
    -0.000000    0.000000   13.925544
   Si   O    H 
    32    64    10
Direct configuration=  2307
   0.13976795  0.18466860 -0.03414667
   0.33455601  0.09873325  0.37142847
   0.12555549  0.42191305  0.09017037
   0.37189052  0.32969508  0.22802972
   0.07383216  0.15129090  0.49284675
   0.39766345  0.12152537  0.85252076
   0.12262606  0.41476765  0.62567713
   0.39236504  0.37860964  0.74585170
   0.13939677  0.70233997 -0.00898585
   0.41143747  0.58076349  0.35014639
   0.07493698  0.90221577  0.13667878
   0.34056842  0.83397872  0.24580281
   0.17313409  0.64602584  0.47921475
   0.37843724  0.64059856  0.86820225
   0.06619603  0.89799750  0.60993371
   0.34393491  0.98185872  0.68684334
   0.61165416  0.12544016  1.00555533
   0.84364262  0.09550679  0.34365215
   0.62150688  0.38293013  0.10674765
   0.89933328  0.26962145  0.16387013
   0.61014277  0.16740741  0.48067376
   0.86304668  0.10219864  0.87837888
   0.61848419  0.44117495  0.60583355
   0.76830814  0.37352778  0.78856424
   0.64394559  0.65750828 -0.01639351
   0.90290354  0.58703978  0.37347940
   0.57959708  0.88963778  0.11711513
   0.83790484  0.80787276  0.23605029
   0.62932625  0.65309177  0.45119374
   0.88503168  0.62589024  0.87496775
   0.61875160  0.92443714  0.61893743
   0.83073160  0.85519366  0.74853991
   0.09400273  0.06002216  0.17516710
   0.30764002  0.19412688  0.27041836
   0.11364397  0.34053653 -0.01060256
   0.37632789  0.43065706  0.31883221
   0.52568488  0.32351525  0.19293236
   0.27217450  0.40073151  0.14744974
   0.21975615  0.10826766  0.44792282
  -0.04182719  0.15951096  0.41208554
   0.02143023  0.03623151  0.55870094
   0.46345485  0.23360493  0.77869202
   0.06616695  0.29101962  0.56088341
   0.35100854  0.47359795  0.83749691
   0.49038184  0.44670953  0.67381380
   0.24869095  0.35088153  0.68894296
   0.23609254  0.14181319 -0.12784942
  -0.01083338  0.12881919  0.95696709
   0.07806963  0.57790770  0.06440821
   0.40105561  0.68783583  0.26523050
   0.12510875  0.85647499  0.02689269
   0.35795105  0.93461566  0.33395523
   0.42280607  0.87571768  0.14784508
   0.18321235  0.82561774  0.21355364
   0.32660179  0.64912763  0.43682110
   0.06192656  0.60980556  0.39174655
   0.18772439  0.54188226  0.56680014
   0.34476565  0.72419355  0.76369801
   0.11760322  0.79434241  0.52055105
   0.40112721  0.98228461  0.79058343
   0.45641110  0.88833741  0.63108194
   0.19685913  0.91618478  0.67746194
   0.29447509  0.68264140 -0.03919359
   0.03251582  0.68587826  0.90206643
   0.61686996  0.05162831  0.11282850
   0.84715045  0.18255256  0.24596008
   0.61698764  0.29135534  0.01255366
   0.86179273  0.43812866  0.38031627
   0.01368227  0.37882744  0.16978352
   0.76647013  0.41106463  0.16784427
   0.71156901  0.13834738  0.39772169
   0.45728920  0.14411267  0.43385798
   0.64676000  0.07182277  0.56953187
   0.81806344  0.21513942  0.80563872
   0.60201781  0.33000108  0.51677640
   0.88281749  0.46633426  0.84177196
   0.98793737  0.47085684  0.67065046
   0.74674679  0.37872529  0.67379696
   0.74109381  0.06691816  0.94994808
   0.47105651  0.08696684  0.95696364
   0.59882900  0.54367155  0.06260931
   0.86462168  0.65319882  0.26151021
   0.60464676  0.81967492  0.01668688
   0.85787284  0.92765502  0.32647854
   0.91947274  0.85112969  0.14497119
   0.68258590  0.83176254  0.19978445
   0.78963743  0.68941233  0.44196648
   0.56938943  0.54211050  0.37618714
   0.61634487  0.59649062  0.56289496
   0.80578939  0.71502631  0.79488761
   0.54894947  0.81514539  0.43153509
   0.90391438  0.96268681  0.82364791
   0.93172431  0.84905642  0.65823081
   0.68299052  0.93893272  0.72902807
   0.79887851  0.62940187  0.97580607
   0.53828950  0.64127513  0.89116933
   0.71111286  0.81310133  0.58205188
   0.45529224  0.82613179  0.43901225
   0.86391663  0.22911674  0.06440244
   0.80361548  0.50334344  0.17784450
   0.32672967  0.10011758  0.63450879
   0.25645947  0.76284025  0.73803944
   0.18381862  1.09029167  0.17404517
   0.22685499  1.13462264  0.04887822
   0.63428534  0.41828879  0.82274413
   0.90925803  0.41971580  0.64688453
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928627    0.406025   -0.209019
    -0.000000    9.770187   -0.018499
    -0.000000    0.000000   13.925489
   Si   O    H 
    32    64    10
Direct configuration=  2308
   0.13922561  0.18480220 -0.03335395
   0.33614464  0.09950027  0.37215141
   0.12662054  0.42273345  0.09074179
   0.37151843  0.32934880  0.22752456
   0.07321565  0.14958399  0.49215130
   0.39624293  0.12174918  0.85229622
   0.12295038  0.41372961  0.62501711
   0.39273542  0.37958625  0.74594356
   0.13758547  0.70169219 -0.00941233
   0.41127479  0.58066948  0.35076391
   0.07452028  0.90171063  0.13696509
   0.34116916  0.83330646  0.24550098
   0.17407282  0.64523680  0.47848325
   0.37853008  0.64074405  0.86732863
   0.06615567  0.89729166  0.60940948
   0.34502782  0.98277732  0.68723680
   0.61223221  0.12511192  1.00554346
   0.84302687  0.09538743  0.34404330
   0.62220270  0.38353640  0.10637415
   0.89964640  0.26943723  0.16495462
   0.60936975  0.16692021  0.48056171
   0.86085251  0.10114450  0.87816272
   0.61729159  0.44094535  0.60521651
   0.76973249  0.37403391  0.78886290
   0.64235280  0.65794361 -0.01628344
   0.90383630  0.58626119  0.37296611
   0.57982027  0.88922304  0.11692243
   0.83641349  0.80917444  0.23560834
   0.62953853  0.65436232  0.45082398
   0.88555804  0.62552705  0.87537352
   0.62022902  0.92540420  0.61884667
   0.83123100  0.85619199  0.74893482
   0.09475797  0.05913031  0.17420470
   0.30901253  0.19449173  0.27060544
   0.11309505  0.33947443 -0.01044095
   0.37442199  0.43115719  0.31990082
   0.52494710  0.32446826  0.19307990
   0.27226582  0.40096603  0.14692536
   0.22004006  0.10683444  0.44852443
  -0.04201332  0.15995181  0.41134146
   0.02134711  0.03521830  0.55759027
   0.46383948  0.23314328  0.77837732
   0.06824928  0.29161648  0.56083643
   0.35147332  0.47490443  0.83728641
   0.49025666  0.44808109  0.67509827
   0.25087887  0.35147696  0.69033507
   0.23618824  0.14248578 -0.12747153
  -0.00926131  0.12933389  0.95764868
   0.08073644  0.57622139  0.06365810
   0.40114238  0.68727992  0.26577510
   0.12573638  0.85463721  0.02663157
   0.35905510  0.93565807  0.33509499
   0.42300168  0.87554380  0.14726175
   0.18258279  0.82676407  0.21433686
   0.32748101  0.64786929  0.43780457
   0.06230277  0.61027399  0.39090711
   0.18815708  0.54187669  0.56663429
   0.34423024  0.72417911  0.76418726
   0.11771114  0.79457439  0.52052495
   0.40059254  0.98337472  0.79005215
   0.45565906  0.88815220  0.63083303
   0.19713692  0.91672328  0.67741429
   0.29529199  0.68331724 -0.03898594
   0.03453570  0.68626914  0.90203223
   0.61752342  0.05270501  0.11304863
   0.84722336  0.18230023  0.24658420
   0.61752754  0.29055272  0.01286509
   0.86121944  0.43747961  0.38093102
   0.01423705  0.38027690  0.16979196
   0.76624511  0.41149269  0.16709203
   0.71136893  0.13964331  0.39785787
   0.45752162  0.14339103  0.43477862
   0.64705349  0.07232636  0.57024397
   0.81664773  0.21495066  0.80604782
   0.60090148  0.32872400  0.51702907
   0.88251885  0.46669149  0.84108654
   0.99104814  0.46871039  0.67148268
   0.74744847  0.37940258  0.67497827
   0.74247077  0.06639977  0.95032708
   0.47034780  0.08791020  0.95517702
   0.59871477  0.54341109  0.06210830
   0.86663473  0.65367027  0.26126873
   0.60456086  0.81994934  0.01698429
   0.85716001  0.92827982  0.32554747
   0.92099658  0.85232147  0.14574591
   0.68168366  0.82926554  0.20035284
   0.78646342  0.69023765  0.44243354
   0.56985430  0.53987949  0.37585878
   0.61728117  0.59689111  0.56387661
   0.80587426  0.71624132  0.79445950
   0.54894063  0.81322407  0.43116974
   0.90507297  0.96317435  0.82318437
   0.93167557  0.84747005  0.65901262
   0.68475656  0.93877590  0.72709915
   0.79964407  0.62973581  0.97488470
   0.53869462  0.63979446  0.89145355
   0.71355987  0.81206591  0.58396114
   0.46495547  0.82165088  0.43960048
   0.86566458  0.23299614  0.06805947
   0.79803659  0.51479882  0.18805382
   0.32510278  0.10522805  0.63300260
   0.25454156  0.75644649  0.73646663
   0.18684384  1.09344271  0.17807082
   0.22450107  1.13114446  0.04987762
   0.62589827  0.42470258  0.82550174
   0.91018185  0.42077632  0.64988532
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930601    0.404911   -0.207919
    -0.000000    9.767438   -0.018236
    -0.000000    0.000000   13.925811
   Si   O    H 
    32    64    10
Direct configuration=  2309
   0.13952367  0.18428696 -0.03299638
   0.33769253  0.09961196  0.37226647
   0.12729989  0.42308693  0.09162294
   0.37115289  0.32948561  0.22708960
   0.07309342  0.14894427  0.49132745
   0.39460551  0.12176162  0.85193296
   0.12337381  0.41315183  0.62411318
   0.39298565  0.38056506  0.74594055
   0.13562482  0.70032083 -0.00986647
   0.41048082  0.57990650  0.35146843
   0.07453377  0.90101244  0.13717062
   0.34185672  0.83278537  0.24523202
   0.17442245  0.64491762  0.47823250
   0.37863667  0.64038041  0.86648431
   0.06560385  0.89664347  0.60860888
   0.34503754  0.98367220  0.68746356
   0.61201918  0.12430424  1.00542247
   0.84203696  0.09518074  0.34399445
   0.62268601  0.38452157  0.10630367
   0.89982925  0.26951878  0.16579271
   0.60854681  0.16660201  0.48038439
   0.85885504  0.10025514  0.87850995
   0.61596790  0.44042724  0.60411586
   0.76994826  0.37491106  0.78929898
   0.64023337  0.65797924 -0.01598001
   0.90432050  0.58524801  0.37248672
   0.57931544  0.88870647  0.11715703
   0.83445617  0.81117003  0.23538021
   0.62976207  0.65564139  0.45066824
   0.88657259  0.62484635  0.87603934
   0.62151978  0.92580536  0.61897591
   0.83202968  0.85796027  0.74938662
   0.09477414  0.05851643  0.17309029
   0.30989542  0.19464801  0.27140798
   0.11251470  0.33896548 -0.01006531
   0.37269780  0.43145808  0.32029172
   0.52509208  0.32561129  0.19273065
   0.27220789  0.40134707  0.14651833
   0.21996642  0.10542001  0.44897889
  -0.04210535  0.15985023  0.41059946
   0.02150112  0.03338726  0.55702191
   0.46381995  0.23175639  0.77902984
   0.07116932  0.29132934  0.56036186
   0.35166943  0.47735449  0.83707235
   0.49034185  0.44917761  0.67629383
   0.25212474  0.35122300  0.69220992
   0.23639650  0.14253892 -0.12732301
  -0.00843191  0.12930976  0.95815018
   0.08292753  0.57640062  0.06273637
   0.40121375  0.68654725  0.26528092
   0.12585634  0.85341840  0.02706510
   0.36020088  0.93797595  0.33641181
   0.42263150  0.87646493  0.14708801
   0.18209023  0.82747754  0.21515537
   0.32767324  0.64595427  0.43893952
   0.06252277  0.61107595  0.39054915
   0.18889818  0.54116610  0.56611643
   0.34375783  0.72442782  0.76480151
   0.11723230  0.79517694  0.52054058
   0.40077606  0.98420577  0.79003599
   0.45635115  0.88789905  0.63002720
   0.19629573  0.91666297  0.67743353
   0.29559472  0.68445028 -0.03836519
   0.03606721  0.68624112  0.90191210
   0.61782831  0.05430162  0.11216756
   0.84732517  0.18129513  0.24697453
   0.61821266  0.28969409  0.01303436
   0.86122185  0.43730552  0.38133102
   0.01351911  0.38190911  0.16980485
   0.76618125  0.41288267  0.16635434
   0.71092772  0.14108979  0.39744212
   0.45880977  0.14309762  0.43604313
   0.64760051  0.07293191  0.57099423
   0.81548365  0.21496445  0.80623138
   0.60015779  0.32755155  0.51695246
   0.88279037  0.46732808  0.83978308
   0.99385796  0.46737411  0.67278433
   0.74774302  0.38061565  0.67580504
   0.74375776  0.06557556  0.95069964
   0.47003903  0.08949899  0.95317570
   0.59813259  0.54252727  0.06162177
   0.86913758  0.65317783  0.26101374
   0.60475324  0.81949874  0.01681978
   0.85678588  0.92853117  0.32457191
   0.92375626  0.85357874  0.14648402
   0.68130709  0.82695497  0.20074165
   0.78420843  0.69048552  0.44259032
   0.56991386  0.53820670  0.37561142
   0.61806564  0.59746114  0.56418318
   0.80574009  0.71643627  0.79453373
   0.55107725  0.81123173  0.43170419
   0.90496958  0.96304711  0.82247736
   0.93306321  0.84514870  0.66022160
   0.68650350  0.93858484  0.72505068
   0.80093050  0.63002165  0.97390509
   0.53891199  0.63752150  0.89193260
   0.71445693  0.81246219  0.58492830
   0.44284466  0.81841189  0.44439582
   0.86668639  0.23437935  0.07099526
   0.79057910  0.51838581  0.19609055
   0.32364660  0.11653035  0.63112230
   0.25835380  0.74976773  0.73645884
   0.18992454  1.09931681  0.17897145
   0.21850969  1.12608768  0.04815273
   0.62735366  0.42556644  0.82654604
   0.91036536  0.42061821  0.65225411
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932913    0.403826   -0.206719
    -0.000000    9.764843   -0.018560
    -0.000000    0.000000   13.925881
   Si   O    H 
    32    64    10
Direct configuration=  2310
   0.14000731  0.18348499 -0.03308440
   0.33929728  0.09987265  0.37204680
   0.12828899  0.42350116  0.09213199
   0.37079599  0.33003779  0.22691874
   0.07288320  0.14844296  0.49119315
   0.39270833  0.12163966  0.85206314
   0.12369740  0.41301574  0.62357574
   0.39230774  0.38132742  0.74591503
   0.13408553  0.69920681 -0.01109346
   0.40986291  0.57921456  0.35252041
   0.07460215  0.90042861  0.13715805
   0.34221753  0.83279973  0.24452841
   0.17474307  0.64438652  0.47769839
   0.37866958  0.64003621  0.86533776
   0.06519787  0.89617982  0.60759324
   0.34470057  0.98424182  0.68700295
   0.61140922  0.12335022  1.00543107
   0.84100445  0.09526671  0.34396408
   0.62288899  0.38496851  0.10616275
   0.90005951  0.26957551  0.16629165
   0.60806223  0.16649337  0.48001140
   0.85785923  0.09900748  0.87928039
   0.61458807  0.44026933  0.60318030
   0.77003953  0.37634755  0.78973023
   0.63793333  0.65762141 -0.01534362
   0.90390528  0.58554603  0.37227439
   0.57895167  0.88803613  0.11770384
   0.83283664  0.81338304  0.23488970
   0.63029414  0.65705966  0.45070405
   0.88788589  0.62456265  0.87721180
   0.62197870  0.92583402  0.61865366
   0.83285120  0.86039307  0.74975725
   0.09531838  0.05834748  0.17145698
   0.31020007  0.19498534  0.27299002
   0.11268233  0.33978618 -0.00956574
   0.37124116  0.43097835  0.32081023
   0.52551240  0.32704831  0.19191894
   0.27271304  0.40196533  0.14659487
   0.22072106  0.10352130  0.44917770
  -0.04225892  0.16039498  0.40989018
   0.02196052  0.03204481  0.55677918
   0.46301013  0.23157520  0.77973315
   0.07374283  0.28965714  0.55963860
   0.35223569  0.48013662  0.83737669
   0.49012870  0.45077532  0.67667707
   0.25385007  0.35036021  0.69360884
   0.23555420  0.14282346 -0.12638758
  -0.00794935  0.12904922  0.95817463
   0.08566012  0.57593724  0.06194771
   0.40207783  0.68606255  0.26507746
   0.12503882  0.85276188  0.02773122
   0.36141721  0.93940439  0.33784961
   0.42253127  0.87732905  0.14672149
   0.18158652  0.82772489  0.21655980
   0.32731172  0.64389128  0.44013162
   0.06306943  0.61225300  0.39041092
   0.18898706  0.54094367  0.56524464
   0.34402027  0.72465544  0.76565917
   0.11777638  0.79517614  0.52118021
   0.40201433  0.98518815  0.79080659
   0.45785899  0.88821766  0.62901154
   0.19547710  0.91602372  0.67723628
   0.29512148  0.68595735 -0.03769038
   0.03707671  0.68602622  0.90116537
   0.61744086  0.05552488  0.11172897
   0.84746472  0.18026457  0.24756380
   0.61924279  0.28906357  0.01264006
   0.86166749  0.43761233  0.38161874
   0.01318224  0.38405195  0.16984431
   0.76639389  0.41401436  0.16508753
   0.70979177  0.14231946  0.39771560
   0.46060003  0.14300650  0.43703215
   0.64811716  0.07360704  0.57217653
   0.81469940  0.21526212  0.80613423
   0.60006249  0.32650973  0.51693446
   0.88268348  0.46752129  0.83864732
   0.99554915  0.46652028  0.67395384
   0.74774585  0.38201290  0.67575012
   0.74441076  0.06504319  0.95140789
   0.47038083  0.09035580  0.95148339
   0.59833520  0.54198159  0.06187354
   0.87104597  0.65176447  0.26121087
   0.60488398  0.81866990  0.01640260
   0.85650172  0.92843929  0.32321085
   0.92677996  0.85522621  0.14664412
   0.68087994  0.82578246  0.20120373
   0.78254567  0.69075616  0.44261632
   0.56979066  0.53622177  0.37479152
   0.61969088  0.59735219  0.56440242
   0.80568893  0.71541312  0.79502869
   0.55264640  0.80854242  0.43268913
   0.90544534  0.96296707  0.82223707
   0.93449088  0.84276975  0.66190269
   0.68913913  0.93775853  0.72302822
   0.80223542  0.63008790  0.97249164
   0.53898614  0.63621708  0.89248277
   0.71312057  0.81491113  0.58547759
   0.43840120  0.81528198  0.44769778
   0.86874678  0.23317811  0.07237742
   0.78180570  0.51563907  0.20315462
   0.32251724  0.12471865  0.63000024
   0.25811405  0.74804104  0.73806105
   0.18747360  1.10026168  0.17678844
   0.21660864  1.11837053  0.04497644
   0.63799932  0.42539326  0.82573299
   0.91080404  0.42660460  0.65456634
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935278    0.403156   -0.205852
    -0.000000    9.762154   -0.019303
    -0.000000    0.000000   13.925952
   Si   O    H 
    32    64    10
Direct configuration=  2311
   0.14057450  0.18272104 -0.03347816
   0.34045920  0.09926033  0.37142936
   0.12911066  0.42359982  0.09241641
   0.37078852  0.33108120  0.22668633
   0.07248624  0.14809448  0.49098561
   0.39066904  0.12222894  0.85229007
   0.12394420  0.41277900  0.62287771
   0.39115361  0.38184099  0.74615395
   0.13318457  0.69781279 -0.01197425
   0.41004798  0.57849097  0.35323844
   0.07467740  0.89945230  0.13700681
   0.34195937  0.83317521  0.24396581
   0.17454345  0.64446333  0.47765634
   0.37844842  0.63944505  0.86386753
   0.06437541  0.89549693  0.60670161
   0.34480089  0.98515625  0.68623591
   0.61149736  0.12283336  1.00564212
   0.84095722  0.09538394  0.34401650
   0.62317063  0.38620398  0.10573963
   0.89993576  0.27042610  0.16687856
   0.60763022  0.16594694  0.47932406
   0.85733409  0.09780799  0.88053951
   0.61320288  0.44083150  0.60264761
   0.76965614  0.37801198  0.79003539
   0.63520976  0.65730451 -0.01499814
   0.90282412  0.58575357  0.37178019
   0.57835261  0.88776654  0.11843097
   0.83190575  0.81538574  0.23474043
   0.63123360  0.65774954  0.45074889
   0.88945035  0.62398034  0.87771779
   0.62230789  0.92540207  0.61834770
   0.83335705  0.86236200  0.74998248
   0.09583111  0.05829724  0.17000856
   0.31063761  0.19494268  0.27440520
   0.11267294  0.34123526 -0.00898650
   0.36951533  0.43063988  0.32090665
   0.52568318  0.32779160  0.19118767
   0.27302111  0.40245053  0.14637048
   0.22123787  0.10185314  0.44937437
  -0.04301024  0.16092851  0.40965674
   0.02243993  0.03105384  0.55731765
   0.46173948  0.23080030  0.78006565
   0.07568605  0.28692997  0.55834711
   0.35193698  0.48425889  0.83832238
   0.49047467  0.45196117  0.67686829
   0.25535361  0.34977749  0.69428277
   0.23391584  0.14333083 -0.12543106
  -0.00668793  0.12827372  0.95819179
   0.08802942  0.57615365  0.06093103
   0.40307648  0.68598761  0.26496290
   0.12433250  0.85235005  0.02779523
   0.36201589  0.93984449  0.33855216
   0.42257397  0.87830942  0.14641241
   0.18093640  0.82807722  0.21767003
   0.32674694  0.64242070  0.44118100
   0.06392832  0.61286014  0.39075355
   0.18827966  0.54016801  0.56441380
   0.34512530  0.72496260  0.76692562
   0.11882897  0.79539839  0.52169257
   0.40352522  0.98601383  0.79134569
   0.45992095  0.88849477  0.62826250
   0.19526776  0.91535093  0.67705636
   0.29452843  0.68755760 -0.03720960
   0.03776802  0.68535920  0.90005622
   0.61674714  0.05623191  0.11129615
   0.84706692  0.17939624  0.24794369
   0.62043694  0.28843213  0.01184653
   0.86161038  0.43802030  0.38221473
   0.01264949  0.38548741  0.17004708
   0.76659747  0.41547196  0.16425816
   0.70858298  0.14367709  0.39730156
   0.46251034  0.14328822  0.43794718
   0.64907619  0.07346808  0.57333381
   0.81436207  0.21521458  0.80587013
   0.60002757  0.32511074  0.51658816
   0.88250830  0.46780029  0.83768018
   0.99660429  0.46564864  0.67597613
   0.74713708  0.38399858  0.67493454
   0.74392887  0.06460891  0.95201664
   0.47058937  0.09104567  0.95016083
   0.59826283  0.54076874  0.06256838
   0.87242842  0.65143131  0.26172114
   0.60482740  0.81761150  0.01583421
   0.85586619  0.92859615  0.32237530
   0.92935903  0.85605364  0.14738167
   0.67996988  0.82401250  0.20168647
   0.78210927  0.69081479  0.44252176
   0.57028602  0.53503948  0.37455712
   0.62174546  0.59736068  0.56463710
   0.80582331  0.71491478  0.79543395
   0.55354568  0.80558653  0.43330675
   0.90630136  0.96217278  0.82133258
   0.93602847  0.83997581  0.66334437
   0.69090942  0.93672043  0.72148318
   0.80311793  0.63037362  0.97150550
   0.53980530  0.63493619  0.89277531
   0.70955320  0.81892782  0.58563127
   0.45063573  0.81070299  0.44805703
   0.87119011  0.23007272  0.07121645
   0.77532237  0.50788528  0.20653723
   0.32213343  0.12462612  0.63256032
   0.25039296  0.74674629  0.73835692
   0.18011515  1.09741362  0.17319559
   0.21769761  1.10898581  0.04220878
   0.65023634  0.42415538  0.82456823
   0.90845330  0.43173088  0.65529543
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937442    0.402433   -0.204806
    -0.000000    9.759657   -0.019576
    -0.000000    0.000000   13.925739
   Si   O    H 
    32    64    10
Direct configuration=  2312
   0.14068620  0.18173523 -0.03417971
   0.34166214  0.09887486  0.37115279
   0.12943436  0.42394004  0.09292984
   0.37042611  0.33265816  0.22681487
   0.07247587  0.14759398  0.49066985
   0.38918485  0.12316546  0.85270886
   0.12493141  0.41232189  0.62247048
   0.38954207  0.38242696  0.74641287
   0.13245986  0.69715926 -0.01238923
   0.41095008  0.57714794  0.35332558
   0.07568197  0.89814252  0.13707465
   0.34118935  0.83373971  0.24369941
   0.17387756  0.64487997  0.47750568
   0.37870723  0.63927317  0.86269183
   0.06337047  0.89445144  0.60614557
   0.34519339  0.98620345  0.68537560
   0.61170983  0.12165215  1.00603706
   0.84061601  0.09510458  0.34405503
   0.62332992  0.38754481  0.10523777
   0.89980780  0.27144523  0.16768590
   0.60794265  0.16536678  0.47889034
   0.85726670  0.09672242  0.88197550
   0.61230277  0.44097402  0.60238491
   0.76964090  0.37858155  0.79024114
   0.63261564  0.65651897 -0.01475137
   0.90088968  0.58608652  0.37132209
   0.57753237  0.88754909  0.11921603
   0.83113128  0.81741206  0.23475050
   0.63185563  0.65815225  0.45023714
   0.89102511  0.62312015  0.87822568
   0.62250223  0.92451127  0.61742116
   0.83357741  0.86363938  0.74997756
   0.09544163  0.05822207  0.16867858
   0.31163563  0.19367500  0.27559274
   0.11212005  0.34335714 -0.00822778
   0.36669484  0.42979288  0.32101993
   0.52544155  0.32829909  0.18980337
   0.27361548  0.40335505  0.14554825
   0.22125794  0.10038710  0.44946041
  -0.04407389  0.16213564  0.40895944
   0.02205360  0.03202870  0.55713453
   0.45987638  0.23055695  0.78090952
   0.07765091  0.28498872  0.55702518
   0.35143359  0.48676334  0.83889348
   0.48956592  0.45241563  0.67629135
   0.25614451  0.34890371  0.69439264
   0.23210376  0.14353899 -0.12462547
  -0.00609159  0.12790558  0.95782694
   0.09136296  0.57597917  0.05985106
   0.40415701  0.68509921  0.26507028
   0.12404258  0.85313653  0.02896232
   0.36256999  0.93940493  0.33839417
   0.42219401  0.87971867  0.14575784
   0.18082114  0.82894723  0.21908323
   0.32625973  0.64015408  0.44209849
   0.06523643  0.61397128  0.39152448
   0.18702253  0.53919273  0.56384424
   0.34618901  0.72532327  0.76771709
   0.12013500  0.79465391  0.52152708
   0.40559926  0.98633937  0.79135171
   0.46148660  0.88898011  0.62765546
   0.19553162  0.91547752  0.67757269
   0.29397429  0.68840299 -0.03713725
   0.03730484  0.68377856  0.89828763
   0.61587033  0.05717328  0.11129197
   0.84640770  0.17847887  0.24849560
   0.62153186  0.28791984  0.01126825
   0.86147404  0.43790217  0.38282836
   0.01251251  0.38798573  0.17055654
   0.76735560  0.41569161  0.16381123
   0.70754428  0.14418622  0.39668602
   0.46423351  0.14311362  0.43893023
   0.64856532  0.07278977  0.57456105
   0.81433135  0.21501049  0.80532302
   0.60019176  0.32365149  0.51633829
   0.88261498  0.46845771  0.83714752
   0.99770980  0.46490029  0.67789288
   0.74708746  0.38590521  0.67412411
   0.74310282  0.06397398  0.95334724
   0.47108261  0.09195708  0.94898453
   0.59854539  0.53935154  0.06351699
   0.87347616  0.65133928  0.26242521
   0.60503520  0.81722980  0.01582091
   0.85437655  0.92800792  0.32170267
   0.93177750  0.85671729  0.14866184
   0.67910568  0.82200947  0.20201771
   0.78310251  0.69120904  0.44210620
   0.57053642  0.53471105  0.37476641
   0.62345139  0.59673811  0.56469642
   0.80636327  0.71455429  0.79624932
   0.55354676  0.80349304  0.43412031
   0.90607545  0.96141651  0.82093940
   0.93761363  0.83731524  0.66432003
   0.69231085  0.93624408  0.72052054
   0.80318598  0.63102046  0.97096814
   0.54031204  0.63395572  0.89355552
   0.70376725  0.81567816  0.58113974
   0.47085914  0.80530848  0.44589743
   0.87499620  0.22311715  0.06990390
   0.77098378  0.49629176  0.20838389
   0.32085787  0.12001884  0.63696201
   0.25331478  0.74549245  0.74145966
   0.17816857  1.10000864  0.17135612
   0.21808370  1.09905486  0.04010824
   0.65303257  0.42601608  0.82678450
   0.89963605  0.43654746  0.65585527
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939405    0.402223   -0.203530
    -0.000000    9.757191   -0.019816
    -0.000000    0.000000   13.925184
   Si   O    H 
    32    64    10
Direct configuration=  2313
   0.14107235  0.18093258 -0.03456189
   0.34297621  0.09922144  0.37105024
   0.12967771  0.42447424  0.09291908
   0.37065284  0.33434434  0.22651979
   0.07222527  0.14693235  0.49035558
   0.38765077  0.12428275  0.85330073
   0.12581283  0.41175130  0.62237026
   0.38838600  0.38320093  0.74671414
   0.13261306  0.69674342 -0.01242920
   0.41234517  0.57559546  0.35333213
   0.07769909  0.89727247  0.13660994
   0.33995323  0.83427909  0.24328978
   0.17333686  0.64584500  0.47758841
   0.37895581  0.63969306  0.86161710
   0.06287486  0.89276373  0.60548965
   0.34613864  0.98723342  0.68436460
   0.61155606  0.12056894  1.00614312
   0.84060569  0.09541146  0.34386329
   0.62318438  0.38895430  0.10492730
   0.89965126  0.27311804  0.16835788
   0.60843606  0.16542969  0.47870866
   0.85730882  0.09598292  0.88350412
   0.61171082  0.44056917  0.60203431
   0.76940864  0.37850659  0.79026080
   0.63068648  0.65529573 -0.01399917
   0.89947249  0.58664218  0.37119432
   0.57661738  0.88739474  0.12023183
   0.83096330  0.81959726  0.23474041
   0.63312287  0.65778604  0.45003924
   0.89247902  0.62185142  0.87816494
   0.62229587  0.92323032  0.61658199
   0.83372892  0.86412076  0.75058221
   0.09528990  0.05929459  0.16668901
   0.31233359  0.19280141  0.27617441
   0.11203895  0.34474770 -0.00730089
   0.36363320  0.42845857  0.32086149
   0.52490424  0.32854731  0.18840375
   0.27413756  0.40416816  0.14552062
   0.22129934  0.09889594  0.45003816
  -0.04437902  0.16412039  0.40852666
   0.02027201  0.03400306  0.55672566
   0.45796925  0.23006877  0.78148021
   0.07909260  0.28343168  0.55574518
   0.35075931  0.48741584  0.83894891
   0.48838152  0.45288789  0.67553970
   0.25518436  0.34819336  0.69388520
   0.23028139  0.14347623 -0.12367910
  -0.00635709  0.12699546  0.95676193
   0.09498258  0.57667404  0.05886767
   0.40459018  0.68388331  0.26516873
   0.12318816  0.85403629  0.02934677
   0.36290932  0.93876332  0.33844164
   0.42213193  0.88092043  0.14492750
   0.18082235  0.82988427  0.22045967
   0.32630777  0.63830662  0.44288234
   0.06589639  0.61503334  0.39198035
   0.18559199  0.53772052  0.56376234
   0.34656640  0.72623163  0.76851127
   0.12101868  0.79380101  0.52136069
   0.40812790  0.98630087  0.79128542
   0.46283276  0.89060580  0.62701347
   0.19559640  0.91542962  0.67837245
   0.29364265  0.68869238 -0.03698452
   0.03750487  0.68296309  0.89652271
   0.61505986  0.05717235  0.11127464
   0.84553612  0.17748271  0.24873640
   0.62259570  0.28724604  0.01126228
   0.86222193  0.43655093  0.38308480
   0.01313024  0.38927858  0.17124312
   0.76774642  0.41563579  0.16364465
   0.70642738  0.14498554  0.39615705
   0.46594744  0.14328537  0.43918983
   0.64790118  0.07272111  0.57508851
   0.81411229  0.21515614  0.80413985
   0.60018124  0.32285171  0.51676885
   0.88219831  0.46943779  0.83681981
   0.99814617  0.46430555  0.67977628
   0.74710439  0.38743262  0.67330088
   0.74309943  0.06299503  0.95538100
   0.47209895  0.09294444  0.94850161
   0.59882631  0.53972021  0.06423425
   0.87384209  0.65157458  0.26295371
   0.60538633  0.81647089  0.01565246
   0.85188097  0.92739661  0.32121519
   0.93280773  0.85681231  0.14997886
   0.67835168  0.82053854  0.20221570
   0.78472800  0.69120854  0.44139096
   0.57113343  0.53487983  0.37504651
   0.62531682  0.59614763  0.56444781
   0.80795252  0.71379146  0.79728990
   0.55547844  0.80123139  0.43456315
   0.90636527  0.96130487  0.82146091
   0.93939498  0.83533844  0.66476752
   0.69335308  0.93607064  0.72014554
   0.80261590  0.63185975  0.97093095
   0.54069028  0.63336289  0.89460201
   0.69964715  0.81126129  0.57348316
   0.45024450  0.80575451  0.44806609
   0.87668180  0.21911515  0.06788782
   0.76703702  0.48710946  0.21078206
   0.32167981  0.11397598  0.64019641
   0.26027599  0.74283277  0.74285333
   0.18190569  1.10318026  0.17142543
   0.21851433  1.09176405  0.03700300
   0.64260192  0.42752036  0.83188238
   0.89643545  0.44444693  0.65736826
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941335    0.401927   -0.202273
    -0.000000    9.755222   -0.020040
    -0.000000    0.000000   13.925052
   Si   O    H 
    32    64    10
Direct configuration=  2314
   0.14124501  0.17997905 -0.03454800
   0.34348184  0.09960308  0.37098468
   0.12967274  0.42490309  0.09271609
   0.37082220  0.33598330  0.22657801
   0.07242077  0.14668201  0.48963000
   0.38608166  0.12570068  0.85377362
   0.12669684  0.41052981  0.62238393
   0.38738281  0.38381665  0.74739870
   0.13353007  0.69627244 -0.01254174
   0.41355084  0.57458047  0.35324042
   0.08030234  0.89670198  0.13626923
   0.33889024  0.83435662  0.24297081
   0.17234191  0.64658560  0.47776948
   0.37871173  0.64006267  0.86058930
   0.06283332  0.89119845  0.60496600
   0.34671773  0.98715011  0.68288176
   0.61151772  0.11978337  1.00601403
   0.84025407  0.09570991  0.34399912
   0.62287717  0.39069629  0.10479844
   0.89899137  0.27423909  0.16895608
   0.60854967  0.16501601  0.47891744
   0.85766107  0.09503643  0.88507214
   0.61161089  0.44024411  0.60192062
   0.76869797  0.37854642  0.79027767
   0.62991467  0.65389285 -0.01331295
   0.89772477  0.58685660  0.37152568
   0.57607450  0.88751475  0.12112371
   0.83115397  0.82112469  0.23517702
   0.63380112  0.65694871  0.44988562
   0.89377018  0.62026685  0.87771328
   0.62178507  0.92198507  0.61570264
   0.83393144  0.86443121  0.75077851
   0.09528150  0.06146262  0.16520470
   0.31215221  0.19317104  0.27588363
   0.11131818  0.34479659 -0.00687101
   0.36057080  0.42727786  0.32094224
   0.52485016  0.32949415  0.18697277
   0.27515760  0.40458743  0.14542142
   0.22070259  0.09761929  0.45035471
  -0.04358966  0.16581060  0.40818212
   0.01867673  0.03586008  0.55649745
   0.45692831  0.22998847  0.78261552
   0.08077958  0.28249791  0.55409540
   0.34981751  0.48791002  0.83866714
   0.48700169  0.45428909  0.67504541
   0.25304401  0.34727681  0.69380649
   0.22826920  0.14362515 -0.12207294
  -0.00764625  0.12624193  0.95543193
   0.09884074  0.57782021  0.05781202
   0.40452092  0.68275122  0.26536918
   0.12235271  0.85429666  0.03041890
   0.36282040  0.93758155  0.33825813
   0.42173911  0.88224619  0.14451957
   0.18066242  0.83043767  0.22191701
   0.32694441  0.63605529  0.44350310
   0.06593689  0.61594548  0.39242151
   0.18457170  0.53641142  0.56384276
   0.34792109  0.72731672  0.76906644
   0.12142226  0.79261897  0.52120005
   0.40983331  0.98587187  0.79136469
   0.46471719  0.89214202  0.62596800
   0.19547854  0.91572633  0.67903861
   0.29342893  0.68889396 -0.03729962
   0.03709195  0.68130417  0.89466872
   0.61464665  0.05631166  0.11071906
   0.84463639  0.17712972  0.24823427
   0.62335605  0.28706666  0.01118132
   0.86281419  0.43545858  0.38318842
   0.01365377  0.39041054  0.17183377
   0.76892448  0.41464681  0.16331614
   0.70612114  0.14511103  0.39553895
   0.46660303  0.14329728  0.43879211
   0.64688402  0.07339720  0.57586914
   0.81435830  0.21573274  0.80299180
   0.60030401  0.32217435  0.51757243
   0.88132936  0.47000989  0.83704866
   0.99724680  0.46358264  0.68133273
   0.74788096  0.38934899  0.67206450
   0.74305314  0.06248572  0.95774582
   0.47267478  0.09384303  0.94778757
   0.59831177  0.53944190  0.06476787
   0.87377018  0.65192592  0.26340538
   0.60565029  0.81628968  0.01567061
   0.84984663  0.92697858  0.32075237
   0.93305868  0.85641177  0.15177187
   0.67752277  0.81898452  0.20252471
   0.78747144  0.69131587  0.44102515
   0.57177316  0.53569448  0.37520524
   0.62672681  0.59543707  0.56397565
   0.81002434  0.71364770  0.79816338
   0.55587607  0.79926302  0.43509664
   0.90691429  0.96179568  0.82254952
   0.94099017  0.83380295  0.66512067
   0.69404927  0.93639330  0.72031444
   0.80038855  0.63321591  0.97162273
   0.54015970  0.63248154  0.89515243
   0.69670757  0.80854490  0.56343308
   0.44646963  0.80932932  0.44837500
   0.87963518  0.21687771  0.07132983
   0.76220737  0.48369515  0.21703869
   0.32426234  0.11351015  0.64118504
   0.26082743  0.74217750  0.74220092
   0.18609576  1.10740019  0.17370216
   0.21848109  1.09010177  0.03511445
   0.63235951  0.42889289  0.83888484
   0.90338563  0.45393824  0.65883250
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943458    0.402368   -0.201527
    -0.000000    9.753790   -0.020117
    -0.000000    0.000000   13.924520
   Si   O    H 
    32    64    10
Direct configuration=  2315
   0.14168079  0.17835764 -0.03403393
   0.34431693  0.10000937  0.37099516
   0.12947956  0.42580722  0.09260355
   0.37078917  0.33666283  0.22715505
   0.07303039  0.14591905  0.48905196
   0.38475342  0.12638657  0.85400492
   0.12758757  0.40852546  0.62202185
   0.38553908  0.38361962  0.74817372
   0.13432312  0.69580217 -0.01221414
   0.41465489  0.57354761  0.35298722
   0.08306802  0.89724280  0.13609357
   0.33817932  0.83459898  0.24275381
   0.17142398  0.64662147  0.47788238
   0.37888043  0.64041099  0.85995089
   0.06275688  0.89005899  0.60462431
   0.34746040  0.98683517  0.68202567
   0.61150174  0.11854575  1.00585774
   0.84015529  0.09585320  0.34444581
   0.62209613  0.39201761  0.10482111
   0.89875212  0.27573276  0.16914228
   0.60823354  0.16492908  0.47990373
   0.85826332  0.09466145  0.88636590
   0.61210644  0.44029073  0.60149854
   0.76757444  0.37832959  0.79023048
   0.62984303  0.65261581 -0.01275930
   0.89629836  0.58716391  0.37186122
   0.57608039  0.88820470  0.12149624
   0.83214078  0.82237745  0.23539243
   0.63431358  0.65539921  0.45022912
   0.89411688  0.61921633  0.87727422
   0.62151586  0.92101318  0.61521601
   0.83455541  0.86384484  0.75103350
   0.09508514  0.06368773  0.16345701
   0.31233767  0.19413247  0.27512025
   0.11029405  0.34399460 -0.00646973
   0.35808555  0.42589428  0.32126773
   0.52434126  0.32983198  0.18573975
   0.27565863  0.40547422  0.14532390
   0.21962213  0.09636729  0.44982233
  -0.04264707  0.16752456  0.40796683
   0.01785303  0.03652703  0.55700380
   0.45547494  0.23035939  0.78346118
   0.08187524  0.28159612  0.55277767
   0.34899549  0.48858166  0.83785516
   0.48548488  0.45536971  0.67470229
   0.25103048  0.34649394  0.69344053
   0.22669658  0.14287070 -0.12124874
  -0.00946554  0.12528249  0.95362870
   0.10193952  0.57857740  0.05708225
   0.40371791  0.68204491  0.26576307
   0.12131447  0.85433207  0.03142660
   0.36216873  0.93581588  0.33827630
   0.42095738  0.88273067  0.14405046
   0.17994044  0.83088386  0.22353730
   0.32686421  0.63360012  0.44388819
   0.06534168  0.61637765  0.39293159
   0.18383524  0.53508680  0.56335253
   0.35041677  0.72860625  0.76912436
   0.12245132  0.79248527  0.52056838
   0.41092931  0.98540320  0.79116923
   0.46579354  0.89317509  0.62535336
   0.19552464  0.91579565  0.67994209
   0.29379308  0.68866809 -0.03790526
   0.03670719  0.68028565  0.89250851
   0.61416948  0.05443884  0.11056668
   0.84364948  0.17680632  0.24730871
   0.62415372  0.28723419  0.01141092
   0.86274699  0.43364631  0.38272291
   0.01494597  0.39158089  0.17189117
   0.76990388  0.41395909  0.16308550
   0.70586112  0.14594532  0.39481550
   0.46634430  0.14395192  0.43825792
   0.64553413  0.07421219  0.57600428
   0.81354554  0.21639357  0.80202262
   0.60024782  0.32190352  0.51882995
   0.88082101  0.47021330  0.83709912
   0.99717310  0.46328033  0.68285844
   0.74796896  0.39043485  0.67050776
   0.74267399  0.06090969  0.95960053
   0.47256675  0.09427756  0.94749494
   0.59762702  0.53921440  0.06531450
   0.87363186  0.65232193  0.26333160
   0.60680059  0.81628836  0.01596728
   0.84893122  0.92706004  0.32028557
   0.93323905  0.85528251  0.15306310
   0.67664293  0.81869905  0.20278096
   0.79080513  0.69051879  0.44059038
   0.57254296  0.53706337  0.37565814
   0.62822676  0.59468504  0.56291885
   0.81137223  0.71389469  0.79928873
   0.55542243  0.79769618  0.43572907
   0.90778438  0.96214668  0.82387206
   0.94301392  0.83230814  0.66498461
   0.69415210  0.93608375  0.72039147
   0.79822488  0.63439871  0.97322609
   0.53916397  0.63209282  0.89563328
   0.69273380  0.80611753  0.55559397
   0.45745740  0.81196421  0.44712503
   0.87973649  0.21891957  0.07450444
   0.75672739  0.47725761  0.22287557
   0.32352691  0.12306201  0.64041537
   0.25483522  0.74443870  0.74156081
   0.18573527  1.10601225  0.17516703
   0.21571613  1.09266118  0.03303859
   0.63037867  0.42727232  0.84534352
   0.90814283  0.46036939  0.66078916
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945672    0.402660   -0.200512
    -0.000000    9.752556   -0.020239
    -0.000000    0.000000   13.924037
   Si   O    H 
    32    64    10
Direct configuration=  2316
   0.14169323  0.17661753 -0.03326409
   0.34461026  0.10035363  0.37123026
   0.12812540  0.42688261  0.09260609
   0.37069653  0.33723460  0.22760386
   0.07343505  0.14623831  0.48856625
   0.38330139  0.12673915  0.85396755
   0.12818304  0.40637726  0.62156912
   0.38395950  0.38373849  0.74932963
   0.13544965  0.69541713 -0.01201627
   0.41496814  0.57295666  0.35297676
   0.08550379  0.89823626  0.13596273
   0.33778340  0.83466004  0.24275170
   0.17108737  0.64676902  0.47828564
   0.37905025  0.64086449  0.86037072
   0.06244489  0.88891191  0.60437467
   0.34809033  0.98637944  0.68119835
   0.61106901  0.11778104  1.00630446
   0.84007653  0.09606437  0.34470999
   0.62143340  0.39269077  0.10473993
   0.89900878  0.27705333  0.16938588
   0.60828053  0.16578276  0.48113319
   0.85874881  0.09425479  0.88779563
   0.61260882  0.43949445  0.60104588
   0.76680065  0.37798473  0.79045065
   0.63044013  0.65199521 -0.01255208
   0.89501129  0.58712807  0.37173845
   0.57662054  0.88838578  0.12112090
   0.83255418  0.82326492  0.23586362
   0.63497319  0.65401218  0.45024722
   0.89332924  0.61860153  0.87714924
   0.62103625  0.91988679  0.61459441
   0.83527002  0.86312342  0.75118180
   0.09491574  0.06603303  0.16160021
   0.31280713  0.19461368  0.27385057
   0.10988728  0.34275660 -0.00575206
   0.35578813  0.42450695  0.32237050
   0.52378691  0.33087476  0.18493973
   0.27609251  0.40623688  0.14497171
   0.21909464  0.09580453  0.44923467
  -0.04126757  0.16899020  0.40767159
   0.01712557  0.03657900  0.55822670
   0.45363935  0.23130428  0.78395414
   0.08288697  0.28134405  0.55195984
   0.34838259  0.48796715  0.83691699
   0.48471329  0.45586512  0.67436116
   0.24913713  0.34590084  0.69276057
   0.22606745  0.14170659 -0.12129185
  -0.01094121  0.12383250  0.95183003
   0.10464157  0.57864216  0.05726374
   0.40258297  0.68101123  0.26614314
   0.12036829  0.85386477  0.03186530
   0.36201115  0.93410690  0.33818888
   0.42013013  0.88232059  0.14409474
   0.17873636  0.83146000  0.22456939
   0.32737138  0.63179868  0.44489441
   0.06396433  0.61602099  0.39375163
   0.18310694  0.53366848  0.56291922
   0.35278278  0.72993503  0.76936480
   0.12331238  0.79233610  0.52002059
   0.41225142  0.98511678  0.79107505
   0.46579820  0.89475239  0.62471174
   0.19697950  0.91568581  0.68079996
   0.29346425  0.68825323 -0.03877666
   0.03703065  0.68011019  0.89093038
   0.61417983  0.05213591  0.11098070
   0.84309780  0.17664832  0.24594389
   0.62522714  0.28771849  0.01234415
   0.86219712  0.43130691  0.38199419
   0.01585271  0.39294843  0.17218927
   0.77128853  0.41301287  0.16280204
   0.70543001  0.14659817  0.39434946
   0.46624066  0.14450714  0.43783390
   0.64449782  0.07485746  0.57559998
   0.81360238  0.21697998  0.80162733
   0.60077507  0.32175893  0.51990402
   0.88053611  0.47075300  0.83780026
   0.99756005  0.46213913  0.68404151
   0.74706706  0.39247006  0.66931104
   0.74237175  0.06005597  0.96139140
   0.47300863  0.09529356  0.94716616
   0.59636770  0.54012780  0.06559176
   0.87299156  0.65272323  0.26328754
   0.60742661  0.81518024  0.01636980
   0.84810293  0.92750391  0.32034940
   0.93394375  0.85449970  0.15425837
   0.67506607  0.81901481  0.20368699
   0.79378042  0.68965743  0.44068812
   0.57391946  0.53897833  0.37608960
   0.62917471  0.59396081  0.56172676
   0.81203474  0.71479371  0.79958080
   0.55379252  0.79611024  0.43596718
   0.90926785  0.96258637  0.82530764
   0.94410583  0.83035817  0.66550949
   0.69368078  0.93576709  0.72050754
   0.79558046  0.63534853  0.97414129
   0.53748601  0.63242530  0.89504889
   0.68771008  0.81089586  0.55237310
   0.47279499  0.81433173  0.44515840
   0.87839644  0.21944793  0.07386449
   0.75421379  0.46711260  0.22719870
   0.32508892  0.12956852  0.63847460
   0.25460173  0.74778426  0.74295224
   0.18215289  1.09762938  0.17485306
   0.21418041  1.09637035  0.03648283
   0.63574196  0.42077717  0.84746845
   0.90400933  0.46861762  0.66113097
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947922    0.402718   -0.199354
    -0.000000    9.750802   -0.020574
    -0.000000    0.000000   13.923947
   Si   O    H 
    32    64    10
Direct configuration=  2317
   0.14106680  0.17541571 -0.03228785
   0.34479527  0.10038512  0.37117741
   0.12642890  0.42769553  0.09272860
   0.37066071  0.33705043  0.22783045
   0.07374043  0.14679012  0.48785403
   0.38190111  0.12695512  0.85410271
   0.12802151  0.40415235  0.62117854
   0.38242285  0.38436818  0.75057926
   0.13635496  0.69583132 -0.01245607
   0.41474452  0.57236877  0.35281356
   0.08722963  0.89947168  0.13584357
   0.33792509  0.83418428  0.24248594
   0.17158938  0.64642746  0.47812589
   0.37918811  0.64148843  0.86154793
   0.06226513  0.88835753  0.60422455
   0.34868085  0.98626753  0.68052374
   0.60993988  0.11819861  1.00670188
   0.84006685  0.09646691  0.34531020
   0.62108443  0.39278300  0.10469610
   0.89913632  0.27866402  0.16916639
   0.60792201  0.16707042  0.48280081
   0.85998664  0.09432947  0.88876146
   0.61270687  0.43914087  0.60079157
   0.76584438  0.37702653  0.79045759
   0.63156115  0.65193073 -0.01219016
   0.89372658  0.58677892  0.37205885
   0.57799983  0.88835254  0.12065166
   0.83238269  0.82329580  0.23610102
   0.63531628  0.65266170  0.45052239
   0.89243716  0.61785007  0.87748012
   0.62072184  0.91964081  0.61381721
   0.83659781  0.86209018  0.75129126
   0.09441557  0.06730212  0.15971827
   0.31326676  0.19595864  0.27242733
   0.10975363  0.34136158 -0.00533068
   0.35372080  0.42436002  0.32368108
   0.52178284  0.33209290  0.18391730
   0.27642922  0.40688238  0.14495210
   0.21833933  0.09530615  0.44759972
  -0.04022730  0.16977508  0.40697699
   0.01588438  0.03648613  0.55972096
   0.45147361  0.23317139  0.78471641
   0.08402656  0.28080576  0.55132231
   0.34771810  0.48610658  0.83603355
   0.48418428  0.45508044  0.67355646
   0.24681383  0.34478609  0.69255933
   0.22504933  0.14105543 -0.12160783
  -0.01210882  0.12172700  0.95091707
   0.10745662  0.57822144  0.05760137
   0.40124735  0.68084528  0.26681267
   0.11949136  0.85342912  0.03186874
   0.36237872  0.93332817  0.33736030
   0.41901071  0.88148458  0.14460414
   0.17731703  0.83201337  0.22522262
   0.32679980  0.63025786  0.44594111
   0.06305773  0.61582634  0.39450956
   0.18195201  0.53194245  0.56231978
   0.35419327  0.73092681  0.76913356
   0.12344880  0.79180351  0.51938139
   0.41300041  0.98464794  0.79060369
   0.46547945  0.89499147  0.62385986
   0.19896834  0.91509719  0.68114333
   0.29279365  0.68743447 -0.03941732
   0.03755948  0.67957687  0.89031048
   0.61477062  0.05010036  0.11184205
   0.84294174  0.17771729  0.24423453
   0.62725208  0.28758500  0.01296575
   0.86227505  0.42976377  0.38119630
   0.01597818  0.39427334  0.17236332
   0.77274839  0.41271595  0.16295180
   0.70452504  0.14741105  0.39401292
   0.46576830  0.14511523  0.43797727
   0.64407703  0.07539891  0.57530504
   0.81343826  0.21730029  0.80190304
   0.60119203  0.32220120  0.52202379
   0.88022520  0.47098971  0.83834997
   0.99823458  0.46186782  0.68431025
   0.74692674  0.39456710  0.66797858
   0.74323095  0.05921335  0.96277594
   0.47302533  0.09564493  0.94693034
   0.59464587  0.54170697  0.06598058
   0.87188583  0.65419508  0.26335172
   0.60851789  0.81381186  0.01723189
   0.84820538  0.92908140  0.32084351
   0.93542339  0.85362694  0.15574940
   0.67363027  0.81880647  0.20462692
   0.79687818  0.68795009  0.44073896
   0.57458428  0.54145070  0.37587016
   0.63024563  0.59285229  0.55993673
   0.81209637  0.71580356  0.79922815
   0.55523290  0.79461060  0.43628991
   0.91047919  0.96297494  0.82757981
   0.94517200  0.82837205  0.66609632
   0.69309372  0.93516713  0.72075219
   0.79384805  0.63655110  0.97513331
   0.53513613  0.63292531  0.89418106
   0.68490241  0.82182957  0.55211093
   0.44473956  0.82677204  0.44862852
   0.87811483  0.22078697  0.07092650
   0.75403687  0.45483176  0.23100099
   0.33137460  0.12615541  0.63800530
   0.26095570  0.75325241  0.74614966
   0.18247298  1.09133273  0.17495251
   0.21508610  1.09941929  0.04109894
   0.64663666  0.40914739  0.84414999
   0.90097255  0.47007491  0.66076200
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949982    0.402532   -0.198238
    -0.000000    9.749104   -0.020966
    -0.000000    0.000000   13.924176
   Si   O    H 
    32    64    10
Direct configuration=  2318
   0.14044520  0.17517658 -0.03114915
   0.34454080  0.10042883  0.37085854
   0.12524102  0.42813215  0.09343933
   0.37083156  0.33705799  0.22833700
   0.07457534  0.14804967  0.48713475
   0.38113773  0.12707212  0.85417412
   0.12731147  0.40208039  0.62098774
   0.38061418  0.38454245  0.75131071
   0.13723529  0.69615054 -0.01288136
   0.41459779  0.57186848  0.35254963
   0.08859561  0.90094073  0.13612489
   0.33871551  0.83374160  0.24225124
   0.17191533  0.64581938  0.47809923
   0.38012222  0.64210277  0.86279334
   0.06217798  0.88810174  0.60408620
   0.34971454  0.98629626  0.68007352
   0.60869924  0.11934493  1.00725815
   0.84051643  0.09700735  0.34632361
   0.62109054  0.39317937  0.10462822
   0.89899871  0.28030509  0.16864429
   0.60762807  0.16790293  0.48474099
   0.86061268  0.09427528  0.88942139
   0.61297564  0.43935595  0.60069899
   0.76461833  0.37594783  0.78993724
   0.63253074  0.65243889 -0.01163975
   0.89244059  0.58705171  0.37181365
   0.57972387  0.88782586  0.11977567
   0.83220262  0.82231477  0.23654299
   0.63584605  0.65166358  0.45098458
   0.89160141  0.61715845  0.87795039
   0.62013477  0.92016414  0.61328990
   0.83729631  0.86161988  0.75147974
   0.09277518  0.06735771  0.15776142
   0.31402516  0.19587918  0.27046793
   0.10987780  0.33976224 -0.00473814
   0.35227402  0.42356414  0.32442734
   0.51890980  0.33288296  0.18339676
   0.27613130  0.40849294  0.14486017
   0.21776390  0.09363001  0.44580110
  -0.03901718  0.17118534  0.40676035
   0.01441037  0.03596508  0.56092022
   0.44934375  0.23581252  0.78550912
   0.08515064  0.28024594  0.55085726
   0.34708105  0.48364211  0.83526149
   0.48322937  0.45500030  0.67350280
   0.24500479  0.34390032  0.69248204
   0.22467840  0.14067289 -0.12262392
  -0.01179185  0.12049827  0.95002183
   0.11018743  0.57856303  0.05809146
   0.39871429  0.68088859  0.26758451
   0.11931733  0.85322339  0.03129566
   0.36154073  0.93289160  0.33737642
   0.41849182  0.88086513  0.14495835
   0.17613084  0.83263847  0.22535460
   0.32674699  0.62854892  0.44787505
   0.06121658  0.61620490  0.39514930
   0.18071191  0.53047466  0.56115839
   0.35560531  0.73205137  0.76836121
   0.12346082  0.79157940  0.51915490
   0.41361376  0.98458044  0.79077747
   0.46522482  0.89548933  0.62293523
   0.20075604  0.91466610  0.68117735
   0.29225087  0.68634502 -0.04027230
   0.03831137  0.67895940  0.88942972
   0.61426727  0.04847908  0.11253904
   0.84239972  0.17918726  0.24238308
   0.62919874  0.28642912  0.01370537
   0.86202548  0.42820577  0.38060655
   0.01580644  0.39528114  0.17281776
   0.77372291  0.41215539  0.16284293
   0.70352577  0.14831347  0.39422807
   0.46471076  0.14534163  0.43779626
   0.64316147  0.07563585  0.57520785
   0.81339403  0.21757833  0.80286458
   0.60150021  0.32198419  0.52431741
   0.87955666  0.47095099  0.83811871
   0.99918663  0.46130982  0.68389007
   0.74699437  0.39675863  0.66665330
   0.74425531  0.05843064  0.96408722
   0.47299312  0.09604953  0.94700048
   0.59247147  0.54418135  0.06626358
   0.87041802  0.65628120  0.26264922
   0.60890809  0.81249915  0.01796104
   0.84800852  0.93102501  0.32157641
   0.93764731  0.85227579  0.15675009
   0.67225287  0.81836644  0.20565951
   0.79999659  0.68626014  0.44074980
   0.57510995  0.54291003  0.37584437
   0.63155116  0.59203097  0.55759213
   0.81181142  0.71732865  0.79911538
   0.55611360  0.79399281  0.43679966
   0.91199879  0.96403155  0.82910776
   0.94627021  0.82663609  0.66686167
   0.69347935  0.93498526  0.72126249
   0.79210682  0.63667258  0.97579710
   0.53329963  0.63285202  0.89391399
   0.69063348  0.83078654  0.55186438
   0.43373125  0.83217437  0.44943778
   0.87785767  0.22525316  0.07101782
   0.75763359  0.43957832  0.23236942
   0.33728193  0.12063377  0.63640945
   0.27551175  0.75711656  0.74797487
   0.18804440  1.09239639  0.17615534
   0.21665811  1.10142437  0.04420768
   0.65288064  0.40183164  0.84242436
   0.90348888  0.46670393  0.66153254
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951949    0.403207   -0.197515
    -0.000000    9.747269   -0.021192
    -0.000000    0.000000   13.924714
   Si   O    H 
    32    64    10
Direct configuration=  2319
   0.13927175  0.17516994 -0.02995696
   0.34384942  0.10042470  0.37036637
   0.12437304  0.42844985  0.09439246
   0.37153240  0.33699850  0.22899577
   0.07477714  0.14948066  0.48664621
   0.38105891  0.12614662  0.85426475
   0.12692584  0.40006127  0.62109546
   0.37882776  0.38461979  0.75171624
   0.13738249  0.69711991 -0.01324987
   0.41462981  0.57114908  0.35252913
   0.08917822  0.90220875  0.13687630
   0.33910123  0.83334647  0.24226208
   0.17209984  0.64584065  0.47853931
   0.38141707  0.64206957  0.86422652
   0.06257261  0.88788079  0.60385546
   0.35062122  0.98644521  0.67996035
   0.60769803  0.12018196  1.00764929
   0.84135467  0.09775968  0.34706649
   0.62133366  0.39296916  0.10449604
   0.89962846  0.28191433  0.16802090
   0.60769348  0.16874723  0.48640415
   0.86094861  0.09462329  0.88931424
   0.61346901  0.43951352  0.60084431
   0.76448539  0.37444533  0.78932706
   0.63287374  0.65313696 -0.01154836
   0.89171154  0.58755507  0.37145803
   0.58156115  0.88714970  0.11939620
   0.83184277  0.82171514  0.23678930
   0.63666444  0.65079654  0.45161408
   0.89050474  0.61736020  0.87871219
   0.61963519  0.92087947  0.61301409
   0.83768178  0.86149890  0.75141657
   0.09221427  0.06718081  0.15634738
   0.31573013  0.19602269  0.26945227
   0.11036026  0.33733310 -0.00419613
   0.35116213  0.42409715  0.32519794
   0.51639724  0.33356660  0.18312166
   0.27572793  0.40914693  0.14422684
   0.21792420  0.09236689  0.44387811
  -0.03802287  0.17179089  0.40597407
   0.01333101  0.03535802  0.56204994
   0.44709610  0.23874875  0.78612883
   0.08539431  0.27993111  0.55055591
   0.34598842  0.48178256  0.83537401
   0.48262967  0.45532951  0.67307551
   0.24407011  0.34246549  0.69289725
   0.22432217  0.14068842 -0.12376617
  -0.01115323  0.11931290  0.94959631
   0.11225497  0.57879166  0.05917094
   0.39593596  0.68041800  0.26809582
   0.11902926  0.85340679  0.03038743
   0.36081781  0.93266327  0.33682615
   0.41717506  0.88101517  0.14558872
   0.17571980  0.83222530  0.22542019
   0.32699513  0.62643767  0.44897760
   0.05902262  0.61575873  0.39568213
   0.18016702  0.52903147  0.56047227
   0.35825157  0.73302887  0.76828259
   0.12321358  0.79052590  0.51965828
   0.41327635  0.98508699  0.79101220
   0.46481356  0.89591067  0.62218710
   0.20206074  0.91454689  0.68075956
   0.29162463  0.68457640 -0.04123133
   0.03922199  0.67924651  0.88907181
   0.61368235  0.04650406  0.11362869
   0.84229921  0.18029203  0.24140606
   0.63033650  0.28500617  0.01496648
   0.86155179  0.42715874  0.37985659
   0.01556731  0.39595656  0.17375852
   0.77341548  0.41174239  0.16306350
   0.70329191  0.14984531  0.39456291
   0.46429166  0.14572362  0.43760333
   0.64186700  0.07565506  0.57574736
   0.81306636  0.21793011  0.80436828
   0.60120181  0.32220556  0.52636336
   0.87826762  0.47056135  0.83722861
   0.99939078  0.46071406  0.68339937
   0.74689242  0.39979461  0.66565945
   0.74638126  0.05761637  0.96538069
   0.47234862  0.09649603  0.94674902
   0.59154555  0.54534739  0.06643646
   0.86899124  0.65885422  0.26224163
   0.60894247  0.81089063  0.01884501
   0.84832143  0.93400326  0.32233536
   0.93957037  0.85149149  0.15764677
   0.67131381  0.81766992  0.20657544
   0.80327553  0.68472802  0.44034712
   0.57568084  0.54434509  0.37558242
   0.63316941  0.59073870  0.55564080
   0.81165320  0.71919812  0.79874141
   0.55600481  0.79385068  0.43723011
   0.91419497  0.96529989  0.83047350
   0.94708305  0.82482964  0.66788550
   0.69375806  0.93423165  0.72159551
   0.79016556  0.63817564  0.97639717
   0.53224139  0.63265359  0.89290406
   0.70296644  0.83361212  0.54944997
   0.43446070  0.83515033  0.44602066
   0.87724232  0.22759205  0.07212155
   0.75974355  0.42784792  0.23034765
   0.34273512  0.11800853  0.63508720
   0.26365401  0.76948354  0.74217007
   0.18431567  1.09244956  0.17709632
   0.22016903  1.10848817  0.04637434
   0.65031070  0.39917718  0.84361253
   0.90499587  0.45956725  0.66310634
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953841    0.403475   -0.197435
    -0.000000    9.745833   -0.022097
    -0.000000    0.000000   13.925627
   Si   O    H 
    32    64    10
Direct configuration=  2320
   0.13832655  0.17569275 -0.02838376
   0.34317566  0.10051500  0.36949434
   0.12325790  0.42838170  0.09587136
   0.37225187  0.33685015  0.22910897
   0.07533064  0.15064492  0.48648244
   0.38115004  0.12453289  0.85386702
   0.12638668  0.39857998  0.62150235
   0.37760658  0.38461884  0.75201402
   0.13731982  0.69845437 -0.01413036
   0.41455857  0.57022672  0.35218437
   0.08929111  0.90276117  0.13731153
   0.33933996  0.83244806  0.24251069
   0.17209067  0.64488133  0.47879889
   0.38239902  0.64204803  0.86571867
   0.06325543  0.88787086  0.60367722
   0.35121276  0.98678803  0.67995467
   0.60770227  0.12077730  1.00820355
   0.84193855  0.09874887  0.34746396
   0.62139478  0.39211814  0.10404520
   0.90001606  0.28354274  0.16698945
   0.60789670  0.16931252  0.48723146
   0.86055454  0.09469883  0.88895407
   0.61437736  0.44008768  0.60116708
   0.76448327  0.37294035  0.78876286
   0.63341156  0.65399529 -0.01184148
   0.89203723  0.58734631  0.37099374
   0.58317686  0.88685206  0.11950504
   0.83182602  0.82107097  0.23742878
   0.63758637  0.65019449  0.45185926
   0.88901338  0.61828033  0.87958675
   0.62004775  0.92093287  0.61292496
   0.83776280  0.86158296  0.75134301
   0.09250307  0.06715175  0.15528794
   0.31727249  0.19646446  0.26888351
   0.11127126  0.33538077 -0.00386822
   0.35051320  0.42377113  0.32612174
   0.51398401  0.33442241  0.18254794
   0.27551720  0.40971793  0.14299085
   0.21850086  0.09208889  0.44218482
  -0.03727119  0.17222563  0.40556675
   0.01226865  0.03491933  0.56297481
   0.44541098  0.24196855  0.78700675
   0.08595138  0.27977938  0.54991082
   0.34521742  0.48150006  0.83602496
   0.48214465  0.45525825  0.67228169
   0.24245876  0.34051078  0.69361179
   0.22373759  0.14094456 -0.12571181
  -0.01012881  0.11837880  0.94929348
   0.11361992  0.57856489  0.05998021
   0.39348378  0.68012177  0.26813909
   0.11888486  0.85364517  0.02957887
   0.35981635  0.93304435  0.33638040
   0.41613418  0.88117928  0.14608400
   0.17594623  0.83193108  0.22546770
   0.32775624  0.62430061  0.44998787
   0.05630776  0.61593545  0.39583695
   0.18023457  0.52691251  0.56001622
   0.36049094  0.73380413  0.76788632
   0.12304155  0.78973054  0.52028939
   0.41237204  0.98588728  0.79064172
   0.46460540  0.89620808  0.62117282
   0.20338827  0.91338644  0.68006721
   0.29177325  0.68318115 -0.04234715
   0.04049612  0.67850912  0.88889833
   0.61285044  0.04476931  0.11494422
   0.84222923  0.18074987  0.24100622
   0.63116205  0.28306137  0.01639335
   0.86063311  0.42698621  0.37923744
   0.01611948  0.39598418  0.17485825
   0.77296106  0.41086722  0.16291758
   0.70232336  0.15181035  0.39512883
   0.46363554  0.14649423  0.43723758
   0.64068923  0.07533836  0.57632201
   0.81284238  0.21765708  0.80627671
   0.60122449  0.32244815  0.52826619
   0.87723413  0.47022333  0.83715360
   0.99978498  0.46000530  0.68344621
   0.74716513  0.40243875  0.66583477
   0.74811454  0.05646424  0.96638162
   0.47202684  0.09629430  0.94681693
   0.58988134  0.54545584  0.06706495
   0.86821443  0.66089317  0.26222040
   0.60875061  0.80911582  0.01909708
   0.84937564  0.93638472  0.32412407
   0.94070455  0.85096933  0.15799124
   0.67046564  0.81759687  0.20754211
   0.80532500  0.68320006  0.44007945
   0.57643620  0.54541617  0.37474099
   0.63474191  0.58910307  0.55438968
   0.81136363  0.72055643  0.79868342
   0.55415422  0.79434585  0.43798076
   0.91548047  0.96653654  0.83123039
   0.94820093  0.82312559  0.66851963
   0.69406816  0.93307303  0.72181744
   0.78870241  0.63961993  0.97679244
   0.53252455  0.63270492  0.89225997
   0.70912008  0.83460426  0.54854461
   0.44780270  0.83003052  0.44003267
   0.87702087  0.22862028  0.07249300
   0.76062894  0.41999392  0.23249224
   0.34687543  0.11763405  0.63256163
   0.25963540  0.77942367  0.73718049
   0.18017421  1.09503430  0.17827973
   0.22262309  1.11712959  0.04592006
   0.63862421  0.39797979  0.84527637
   0.90254000  0.45386382  0.66187043
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955719    0.403619   -0.196955
    -0.000000    9.744566   -0.023052
    -0.000000    0.000000   13.926386
   Si   O    H 
    32    64    10
Direct configuration=  2321
   0.13783278  0.17564643 -0.02714408
   0.34280322  0.10093833  0.36849402
   0.12315651  0.42852669  0.09691850
   0.37249959  0.33720419  0.22863279
   0.07549710  0.15074983  0.48613030
   0.38168029  0.12178645  0.85375626
   0.12607698  0.39766008  0.62179329
   0.37640073  0.38505135  0.75192777
   0.13749256  0.69966991 -0.01505066
   0.41430325  0.56954975  0.35256150
   0.08971777  0.90336193  0.13774463
   0.33972317  0.83167841  0.24264184
   0.17212264  0.64281016  0.47845756
   0.38313824  0.64211293  0.86656278
   0.06436851  0.88805663  0.60353697
   0.35125354  0.98656458  0.67993047
   0.60761009  0.12118271  1.00879874
   0.84219967  0.09998427  0.34745544
   0.62158855  0.39119746  0.10343571
   0.90029802  0.28520146  0.16570073
   0.60797546  0.16977185  0.48796549
   0.86050945  0.09465238  0.88840284
   0.61453765  0.44099835  0.60179169
   0.76441359  0.37155584  0.78826355
   0.63365553  0.65471047 -0.01264669
   0.89227347  0.58681109  0.37020480
   0.58446716  0.88629128  0.11964660
   0.83146280  0.82013694  0.23770169
   0.63843411  0.65015884  0.45225439
   0.88758424  0.61927676  0.87996129
   0.62067777  0.92088823  0.61315576
   0.83769457  0.86254960  0.75155714
   0.09320948  0.06685244  0.15446504
   0.31837395  0.19589091  0.26839910
   0.11312737  0.33316254 -0.00327128
   0.35005230  0.42397345  0.32745567
   0.51261489  0.33519577  0.18215110
   0.27568881  0.40961932  0.14180179
   0.21839739  0.09186747  0.44019325
  -0.03770315  0.17246908  0.40473249
   0.01070535  0.03541951  0.56343618
   0.44350385  0.24432125  0.78761704
   0.08551550  0.27991822  0.54933778
   0.34390117  0.48164669  0.83694228
   0.48150454  0.45521412  0.67172908
   0.24106390  0.33880024  0.69451120
   0.22287288  0.14139569 -0.12686179
  -0.00830103  0.11783299  0.94966879
   0.11411029  0.57828418  0.06028018
   0.39142862  0.67975589  0.26754500
   0.11855838  0.85340242  0.02886949
   0.35924242  0.93348764  0.33543453
   0.41556897  0.88062218  0.14644213
   0.17683482  0.83179372  0.22534679
   0.32868481  0.62183141  0.45068190
   0.05378670  0.61615594  0.39588450
   0.18025731  0.52498540  0.55977053
   0.36148052  0.73548750  0.76752137
   0.12293562  0.78820882  0.52133133
   0.41163620  0.98641470  0.78977319
   0.46404741  0.89630005  0.62007794
   0.20384177  0.91212488  0.67961153
   0.29133604  0.68209575 -0.04338736
   0.04197163  0.67835991  0.88920199
   0.61200628  0.04409082  0.11602871
   0.84200288  0.18059278  0.24139714
   0.63183373  0.28196730  0.01768122
   0.86029454  0.42652169  0.37849733
   0.01575490  0.39603493  0.17641886
   0.77238602  0.41003041  0.16275956
   0.70136710  0.15344166  0.39557571
   0.46243503  0.14752752  0.43659164
   0.64033550  0.07395421  0.57723286
   0.81308103  0.21764980  0.80848191
   0.60120911  0.32147753  0.52992749
   0.87628443  0.46912399  0.83726617
   1.00078404  0.45906461  0.68321519
   0.74726579  0.40500325  0.66578679
   0.74884896  0.05501537  0.96690650
   0.47205160  0.09637670  0.94720189
   0.58892439  0.54529974  0.06810663
   0.86677539  0.66264218  0.26211161
   0.60846129  0.80668976  0.01943351
   0.85021782  0.93854647  0.32547670
   0.94141371  0.85088353  0.15811798
   0.66934176  0.81729119  0.20835724
   0.80659702  0.68165265  0.43999920
   0.57670542  0.54605924  0.37389725
   0.63650869  0.58769853  0.55352532
   0.81005831  0.72190047  0.79893285
   0.55193606  0.79533180  0.43828170
   0.91640147  0.96606031  0.83120474
   0.94941447  0.82148810  0.66886133
   0.69418753  0.93185651  0.72191420
   0.78817757  0.64064812  0.97630172
   0.53406339  0.63278680  0.89169998
   0.71290730  0.83789682  0.54999406
   0.47303296  0.81654469  0.43320961
   0.87707846  0.23066706  0.07238451
   0.75986855  0.41909840  0.23608810
   0.34665804  0.12095204  0.63056498
   0.26693280  0.78196060  0.73790042
   0.17820273  1.10352766  0.18008481
   0.23064024  1.12433051  0.04580923
   0.62924967  0.39842829  0.84753126
   0.90646333  0.44953038  0.65983755
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957245    0.403486   -0.196909
    -0.000000    9.743968   -0.023866
    -0.000000    0.000000   13.927118
   Si   O    H 
    32    64    10
Direct configuration=  2322
   0.13791808  0.17480435 -0.02644847
   0.34288196  0.10084041  0.36758727
   0.12331721  0.42819650  0.09828773
   0.37191371  0.33798873  0.22824340
   0.07562021  0.14985859  0.48572813
   0.38218653  0.11908042  0.85330146
   0.12520931  0.39685620  0.62219574
   0.37563257  0.38582209  0.75178292
   0.13748224  0.70080217 -0.01603764
   0.41346599  0.56946695  0.35271546
   0.08953178  0.90317902  0.13826654
   0.33981856  0.83098564  0.24275075
   0.17263854  0.63980993  0.47782493
   0.38298073  0.64180726  0.86676620
   0.06552823  0.88844097  0.60393238
   0.35150073  0.98589492  0.67947825
   0.60721156  0.12025711  1.00946147
   0.84209200  0.10153784  0.34716376
   0.62139839  0.39080161  0.10281578
   0.90072168  0.28678013  0.16465000
   0.60810985  0.17055761  0.48841702
   0.85996043  0.09501231  0.88755683
   0.61446594  0.44168534  0.60281683
   0.76388495  0.37066007  0.78765253
   0.63346201  0.65505160 -0.01364655
   0.89268008  0.58587307  0.36889634
   0.58535856  0.88604659  0.11957437
   0.83055517  0.81979810  0.23807567
   0.63958284  0.65050822  0.45189346
   0.88619552  0.62066265  0.88050191
   0.62163214  0.91998457  0.61325984
   0.83754950  0.86378427  0.75196566
   0.09373046  0.06666099  0.15425053
   0.31859223  0.19451594  0.26821471
   0.11473585  0.33149910 -0.00209032
   0.34999246  0.42367481  0.32856156
   0.51285619  0.33545361  0.18147686
   0.27592271  0.40952734  0.14038637
   0.21762635  0.09176201  0.43879037
  -0.03852660  0.17234113  0.40373574
   0.00954822  0.03614855  0.56332754
   0.44238048  0.24585937  0.78838774
   0.08494644  0.28030722  0.54927883
   0.34207714  0.48192810  0.83832342
   0.48083877  0.45486766  0.67106330
   0.24011373  0.33751066  0.69483715
   0.22161030  0.14237269 -0.12776915
  -0.00662121  0.11662367  0.95004884
   0.11417510  0.57918301  0.06103617
   0.38969239  0.67880885  0.26709475
   0.11818026  0.85252183  0.02834683
   0.35943212  0.93453160  0.33462315
   0.41579808  0.87963676  0.14708634
   0.17866119  0.83173971  0.22535389
   0.32936659  0.62012948  0.45054822
   0.05169057  0.61667005  0.39573443
   0.17949954  0.52365000  0.55954085
   0.36128049  0.73676370  0.76728000
   0.12242192  0.78743348  0.52236431
   0.41097779  0.98659905  0.78889030
   0.46348233  0.89623222  0.61905387
   0.20494572  0.91063102  0.67936754
   0.29111800  0.68189095 -0.04424342
   0.04294345  0.67780758  0.88952164
   0.61107968  0.04459210  0.11688173
   0.84189185  0.18042109  0.24214625
   0.63189110  0.28073734  0.01849608
   0.85964041  0.42682268  0.37796041
   0.01530930  0.39610002  0.17715185
   0.77190009  0.40949637  0.16227321
   0.70084750  0.15476068  0.39572415
   0.46130941  0.14896621  0.43635678
   0.64056274  0.07294127  0.57779272
   0.81353145  0.21677258  0.81008797
   0.60136388  0.32057707  0.53133478
   0.87609168  0.46710961  0.83787437
   1.00200987  0.45774586  0.68268644
   0.74768017  0.40740588  0.66686259
   0.74991844  0.05329347  0.96662660
   0.47280689  0.09646782  0.94822914
   0.58810207  0.54516492  0.06935138
   0.86617961  0.66389604  0.26181454
   0.60822881  0.80487977  0.01986666
   0.85110042  0.93948133  0.32671251
   0.94159565  0.85088335  0.15786404
   0.66836774  0.81705327  0.20858060
   0.80647829  0.68029859  0.43984412
   0.57704495  0.54665034  0.37297670
   0.63784974  0.58651103  0.55252881
   0.80926639  0.72194646  0.79944449
   0.55210503  0.79552542  0.43858640
   0.91616177  0.96455932  0.83054683
   0.95042860  0.82036197  0.66868966
   0.69389010  0.93060997  0.72211149
   0.78747944  0.64048159  0.97565593
   0.53606986  0.63238128  0.89141139
   0.71638383  0.83805975  0.55243720
   0.44877115  0.81757034  0.42451305
   0.88129808  0.23355824  0.07028687
   0.75998496  0.42352433  0.23920465
   0.34612941  0.12390603  0.62902365
   0.27942964  0.77822745  0.74386360
   0.17646405  1.11236120  0.18037630
   0.23991602  1.12756400  0.04587442
   0.63193149  0.39638855  0.84628952
   0.91315419  0.45153852  0.66044598
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959110    0.402792   -0.196899
    -0.000000    9.743515   -0.025146
    -0.000000    0.000000   13.927845
   Si   O    H 
    32    64    10
Direct configuration=  2323
   0.13848027  0.17384178 -0.02598759
   0.34326428  0.10030914  0.36652363
   0.12380164  0.42790693  0.09935672
   0.37123086  0.33840293  0.22799507
   0.07598621  0.14830865  0.48531218
   0.38235839  0.11742137  0.85322763
   0.12413798  0.39689743  0.62224559
   0.37511394  0.38633781  0.75109131
   0.13757627  0.70107670 -0.01746243
   0.41287601  0.56881883  0.35285910
   0.08966008  0.90282581  0.13865091
   0.33967220  0.83083619  0.24255424
   0.17359240  0.63694473  0.47709467
   0.38281355  0.64168022  0.86611798
   0.06659100  0.88968058  0.60437086
   0.35175868  0.98595097  0.67916333
   0.60713574  0.11823676  1.01072606
   0.84213873  0.10284432  0.34690376
   0.62099294  0.39065748  0.10218323
   0.90072954  0.28818896  0.16340318
   0.60798428  0.17046589  0.48842337
   0.85929279  0.09522157  0.88650100
   0.61407076  0.44253527  0.60406914
   0.76336759  0.36957563  0.78734829
   0.63311345  0.65378616 -0.01468992
   0.89310654  0.58494322  0.36806696
   0.58548133  0.88572173  0.11995133
   0.82997909  0.81952527  0.23843350
   0.64097800  0.65149207  0.45130205
   0.88469300  0.62200782  0.88086332
   0.62208376  0.91954549  0.61317694
   0.83829401  0.86467377  0.75237622
   0.09380567  0.06674214  0.15446025
   0.31900730  0.19290120  0.26730513
   0.11622386  0.33076765 -0.00097819
   0.35040303  0.42320383  0.32962550
   0.51364269  0.33583485  0.18053128
   0.27661107  0.40982898  0.13929108
   0.21683829  0.09186164  0.43702997
  -0.03929710  0.17113510  0.40306952
   0.00884437  0.03650933  0.56316738
   0.44080582  0.24657604  0.78882682
   0.08431593  0.28037809  0.54920446
   0.34001511  0.48288175  0.84001528
   0.48030251  0.45497739  0.67044151
   0.23991659  0.33651252  0.69580330
   0.22033478  0.14374020 -0.12812729
  -0.00533365  0.11646203  0.95061516
   0.11448252  0.58030341  0.06165777
   0.38823963  0.67887219  0.26614454
   0.11780324  0.85165406  0.02851757
   0.35904168  0.93648394  0.33347392
   0.41646778  0.87781055  0.14731398
   0.18081515  0.83130712  0.22546229
   0.32977626  0.61866736  0.45034807
   0.05075374  0.61703955  0.39571385
   0.17888774  0.52262583  0.55929019
   0.36205242  0.73699656  0.76755000
   0.12230395  0.78666981  0.52328604
   0.41007113  0.98645308  0.78817695
   0.46277985  0.89575912  0.61794457
   0.20679873  0.90880787  0.67920675
   0.29093973  0.68221942 -0.04515702
   0.04299056  0.67635316  0.88997546
   0.61031364  0.04499745  0.11749354
   0.84079124  0.18126325  0.24305412
   0.63199371  0.28028011  0.01925627
   0.85873720  0.42718724  0.37749181
   0.01533623  0.39615311  0.17798033
   0.77154472  0.40870560  0.16191917
   0.70059324  0.15480467  0.39519293
   0.46055086  0.15009747  0.43600844
   0.64020998  0.07153214  0.57832375
   0.81461244  0.21553041  0.81213897
   0.60131043  0.32030380  0.53291512
   0.87603923  0.46448460  0.83922688
   1.00374573  0.45761304  0.68261919
   0.74846176  0.40966203  0.66864886
   0.75089961  0.05169026  0.96614393
   0.47325179  0.09623217  0.94948835
   0.58741474  0.54619964  0.07026043
   0.86553115  0.66470612  0.26135338
   0.60857797  0.80409469  0.02119012
   0.85140223  0.93973268  0.32745909
   0.94173239  0.85164472  0.15721562
   0.66741699  0.81729930  0.20850774
   0.80593227  0.67918060  0.43979802
   0.57761192  0.54655292  0.37239086
   0.63940263  0.58470275  0.55261742
   0.80855077  0.72190457  0.80073384
   0.55103834  0.79588445  0.43806455
   0.91523552  0.96113770  0.82954338
   0.95130509  0.81977963  0.66833323
   0.69409319  0.92992168  0.72242009
   0.78838319  0.63971989  0.97458981
   0.53921534  0.63169905  0.89093009
   0.71795583  0.83753892  0.55324126
   0.43595884  0.81384198  0.41708973
   0.88356312  0.23664652  0.06758344
   0.75973973  0.42772108  0.23670428
   0.34401467  0.12620830  0.63119225
   0.28126401  0.77504002  0.75058011
   0.17310321  1.11736980  0.17939440
   0.24861207  1.13120434  0.04389266
   0.64276618  0.39433781  0.84115193
   0.91064463  0.45315514  0.65823554
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961284    0.401763   -0.196649
    -0.000000    9.743857   -0.026676
    -0.000000    0.000000   13.928770
   Si   O    H 
    32    64    10
Direct configuration=  2324
   0.13940567  0.17307931 -0.02553971
   0.34449887  0.09990867  0.36525234
   0.12435255  0.42759668  0.09998236
   0.37028289  0.33877041  0.22773884
   0.07582006  0.14628603  0.48495139
   0.38278546  0.11646998  0.85337948
   0.12311000  0.39623488  0.62242405
   0.37452152  0.38735896  0.75005782
   0.13778948  0.70107275 -0.01882006
   0.41232034  0.56848773  0.35312945
   0.08959482  0.90213696  0.13916899
   0.33957108  0.83109161  0.24260453
   0.17415455  0.63448648  0.47685495
   0.38222631  0.64110623  0.86504993
   0.06784968  0.89055815  0.60519832
   0.35245105  0.98539995  0.67895848
   0.60762267  0.11681835  1.01160997
   0.84162446  0.10440901  0.34679236
   0.62039756  0.39077701  0.10158992
   0.90096155  0.28859984  0.16302825
   0.60794785  0.17091017  0.48789943
   0.85858667  0.09553158  0.88593780
   0.61392099  0.44304700  0.60571503
   0.76278044  0.36874854  0.78729596
   0.63257025  0.65227689 -0.01551482
   0.89409820  0.58428599  0.36665280
   0.58463653  0.88534088  0.12084718
   0.82927068  0.82035743  0.23892584
   0.64292651  0.65272715  0.45075026
   0.88331631  0.62347600  0.88147869
   0.62299634  0.91913009  0.61344461
   0.83887778  0.86454395  0.75253512
   0.09416728  0.06700234  0.15471115
   0.31934087  0.19184266  0.26647622
   0.11777576  0.33068993  0.00074391
   0.35078299  0.42242563  0.33016584
   0.51473618  0.33543479  0.17993114
   0.27780769  0.40960692  0.13888350
   0.21607672  0.09231037  0.43570736
  -0.03855855  0.17039266  0.40260383
   0.00824494  0.03646933  0.56300381
   0.43935106  0.24703092  0.78864437
   0.08326659  0.28055518  0.54955368
   0.33824234  0.48401161  0.84172190
   0.48042421  0.45497335  0.66999398
   0.24015076  0.33567188  0.69627021
   0.22023104  0.14504620 -0.12851358
  -0.00480618  0.11603255  0.95100198
   0.11461919  0.58169599  0.06220470
   0.38709372  0.67783883  0.26478088
   0.11650627  0.85063369  0.02909023
   0.35916962  0.93824829  0.33286081
   0.41655518  0.87554659  0.14712595
   0.18264068  0.83107379  0.22506529
   0.33012765  0.61795373  0.45035725
   0.05129274  0.61816430  0.39525537
   0.17848475  0.52193452  0.55939627
   0.36384899  0.73673124  0.76832075
   0.12267675  0.78592856  0.52438752
   0.40896974  0.98702915  0.78693913
   0.46192876  0.89511607  0.61704151
   0.20861969  0.90790203  0.67933733
   0.29120761  0.68323886 -0.04682362
   0.04249603  0.67459344  0.89050294
   0.60997065  0.04584788  0.11824671
   0.84035753  0.18247108  0.24389649
   0.63275266  0.27885345  0.02009959
   0.85755946  0.42846449  0.37707238
   0.01481213  0.39613811  0.17897654
   0.77091862  0.40764984  0.16148368
   0.70144539  0.15437738  0.39511349
   0.45946853  0.15126170  0.43508794
   0.64072682  0.07059527  0.57846390
   0.81543988  0.21444447  0.81376199
   0.60152628  0.32046988  0.53366518
   0.87648412  0.46251795  0.84124182
   1.00533820  0.45699133  0.68234037
   0.74874745  0.41141480  0.67071425
   0.75146632  0.05054114  0.96544091
   0.47353382  0.09590450  0.95064743
   0.58709470  0.54695652  0.07088510
   0.86479259  0.66530465  0.26103435
   0.60763698  0.80405482  0.02230190
   0.85211330  0.93918374  0.32833382
   0.94080010  0.85324585  0.15566726
   0.66623693  0.81665953  0.20860134
   0.80470151  0.67874165  0.43986475
   0.57794105  0.54643028  0.37202161
   0.64061666  0.58324891  0.55257469
   0.80760565  0.72193235  0.80243574
   0.54962755  0.79629981  0.43810201
   0.91435586  0.95841884  0.82861743
   0.95262487  0.81888385  0.66783378
   0.69456376  0.92925728  0.72232324
   0.79006574  0.63860393  0.97358977
   0.54254981  0.63123493  0.88964313
   0.71577322  0.83590004  0.55326691
   0.44397370  0.81072053  0.41508057
   0.88601985  0.23612959  0.06681938
   0.75880374  0.43494361  0.22999209
   0.34153180  0.12611761  0.63065116
   0.26570215  0.77965618  0.75225816
   0.16536248  1.11937823  0.17839030
   0.25329002  1.13275553  0.04192233
   0.65308390  0.39142098  0.83514550
   0.90958828  0.45373116  0.65696947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963417    0.400362   -0.196461
    -0.000000    9.744011   -0.028051
    -0.000000    0.000000   13.929978
   Si   O    H 
    32    64    10
Direct configuration=  2325
   0.14007495  0.17161622 -0.02539590
   0.34522948  0.09974989  0.36401011
   0.12489204  0.42695755  0.10011825
   0.36911547  0.33921879  0.22737774
   0.07586203  0.14402809  0.48453554
   0.38324996  0.11594875  0.85358640
   0.12210280  0.39547916  0.62256294
   0.37391186  0.38815775  0.74914759
   0.13744162  0.70063927 -0.01975583
   0.41242538  0.56768871  0.35309707
   0.08925816  0.90173416  0.13984246
   0.33904687  0.83181664  0.24237489
   0.17385139  0.63199644  0.47682060
   0.38145051  0.64037716  0.86393194
   0.06843372  0.89136987  0.60646890
   0.35269915  0.98520289  0.67854854
   0.60865017  0.11490643  1.01224198
   0.84068811  0.10589178  0.34682480
   0.62032292  0.39121369  0.10109234
   0.90136549  0.28861857  0.16273184
   0.60732298  0.17088388  0.48713552
   0.85776230  0.09531642  0.88541079
   0.61366720  0.44335223  0.60761261
   0.76274104  0.36817563  0.78734305
   0.63255593  0.65109776 -0.01574123
   0.89475573  0.58398295  0.36560967
   0.58311739  0.88505812  0.12139516
   0.82902456  0.82122374  0.23890464
   0.64428981  0.65438783  0.45010312
   0.88220117  0.62401781  0.88206910
   0.62394861  0.91865593  0.61354022
   0.83944934  0.86429399  0.75278902
   0.09356771  0.06781719  0.15479662
   0.31944154  0.19055921  0.26557278
   0.11896000  0.33114025  0.00290420
   0.35118708  0.42137228  0.33068552
   0.51580533  0.33526402  0.17934199
   0.27960417  0.40949034  0.13822424
   0.21568442  0.09244676  0.43426894
  -0.03755445  0.17074625  0.40217663
   0.00828065  0.03684208  0.56259761
   0.43845272  0.24736894  0.78935572
   0.08147854  0.28018771  0.54956968
   0.33728654  0.48494955  0.84334890
   0.48039691  0.45500695  0.66948360
   0.24085757  0.33501795  0.69624032
   0.22018753  0.14662484 -0.12887268
  -0.00406621  0.11594309  0.95100480
   0.11426478  0.58310419  0.06260083
   0.38613588  0.67716371  0.26335917
   0.11598030  0.85030176  0.02975032
   0.35958577  0.93968714  0.33245867
   0.41642100  0.87386821  0.14694093
   0.18380784  0.83188613  0.22504326
   0.33136569  0.61802074  0.44996231
   0.05223730  0.61926178  0.39471257
   0.17751508  0.52100354  0.55966121
   0.36543215  0.73680681  0.76844625
   0.12348459  0.78440834  0.52545429
   0.40799192  0.98695506  0.78583913
   0.46207331  0.89326719  0.61646025
   0.20932755  0.90783012  0.67918389
   0.29091926  0.68386566 -0.04857403
   0.04131325  0.67282669  0.89118873
   0.60985827  0.04709893  0.11884914
   0.83999122  0.18450371  0.24443166
   0.63419723  0.27818378  0.02155545
   0.85649287  0.42988905  0.37681470
   0.01435811  0.39624918  0.17992489
   0.77028361  0.40666752  0.16181069
   0.70291863  0.15306332  0.39541774
   0.45846567  0.15203436  0.43428659
   0.64191458  0.07020733  0.57800217
   0.81720976  0.21332139  0.81506624
   0.60176404  0.32073149  0.53434356
   0.87587605  0.46158956  0.84330130
   1.00635693  0.45720156  0.68236639
   0.74891825  0.41283297  0.67297722
   0.75164599  0.05015618  0.96442285
   0.47349704  0.09602637  0.95197469
   0.58690971  0.54784726  0.07113290
   0.86415620  0.66565576  0.26075222
   0.60670861  0.80480948  0.02326025
   0.85305146  0.93861164  0.32855859
   0.93983100  0.85489340  0.15471224
   0.66481901  0.81546420  0.20860554
   0.80242638  0.67888676  0.43970824
   0.57795868  0.54674804  0.37212834
   0.64166991  0.58219691  0.55285509
   0.80647074  0.72206723  0.80378788
   0.54788597  0.79668585  0.43785174
   0.91332578  0.95581384  0.82793124
   0.95396336  0.81815713  0.66760545
   0.69471906  0.92843513  0.72229147
   0.79140192  0.63766866  0.97278635
   0.54628939  0.63052210  0.88853548
   0.70930188  0.83487275  0.55616104
   0.46505975  0.80538074  0.41737777
   0.88895417  0.23668015  0.06545407
   0.75991389  0.44158877  0.22571980
   0.33731365  0.12379988  0.63315576
   0.26214183  0.77685938  0.75581058
   0.16000583  1.12573849  0.17810906
   0.25482774  1.13152776  0.03935337
   0.64886434  0.39236463  0.83541141
   0.91110835  0.45562171  0.65704596
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965681    0.398943   -0.196088
    -0.000000    9.744571   -0.029583
    -0.000000    0.000000   13.931189
   Si   O    H 
    32    64    10
Direct configuration=  2326
   0.14073013  0.17029707 -0.02562575
   0.34645308  0.09953929  0.36304396
   0.12483668  0.42680024  0.10027407
   0.36769607  0.33946996  0.22765998
   0.07540706  0.14204699  0.48377623
   0.38357563  0.11581270  0.85385451
   0.12172855  0.39464783  0.62268949
   0.37366195  0.38940486  0.74833521
   0.13725581  0.70019477 -0.01991780
   0.41257075  0.56731367  0.35292383
   0.08860483  0.90176909  0.14047424
   0.33936241  0.83282884  0.24204955
   0.17364509  0.62967196  0.47693213
   0.38058346  0.63958834  0.86271008
   0.06932033  0.89163640  0.60744040
   0.35246306  0.98516871  0.67763236
   0.61053296  0.11291475  1.01283007
   0.84017907  0.10699183  0.34652885
   0.62026967  0.39224361  0.10098030
   0.90148018  0.28843445  0.16285121
   0.60690664  0.17119227  0.48621713
   0.85712645  0.09485833  0.88512742
   0.61387423  0.44327018  0.60962594
   0.76291197  0.36798281  0.78736992
   0.63213247  0.64986048 -0.01530085
   0.89454718  0.58351477  0.36484867
   0.58130639  0.88502400  0.12221280
   0.82870613  0.82238547  0.23850815
   0.64535423  0.65560945  0.44992983
   0.88062141  0.62404564  0.88234249
   0.62445990  0.91794885  0.61369315
   0.83954458  0.86406783  0.75293010
   0.09284925  0.06837587  0.15466515
   0.31968942  0.18928627  0.26471218
   0.12010746  0.33246232  0.00441956
   0.35159572  0.42108886  0.33090418
   0.51659142  0.33469006  0.17862317
   0.28172835  0.40904736  0.13762632
   0.21463478  0.09258930  0.43301497
  -0.03689878  0.17053721  0.40196772
   0.00806315  0.03787643  0.56275837
   0.43748697  0.24712990  0.79072357
   0.07930822  0.27939572  0.54952568
   0.33706946  0.48599950  0.84444379
   0.47963932  0.45426742  0.66909063
   0.24192935  0.33432177  0.69629606
   0.22142209  0.14815291 -0.12916202
  -0.00255620  0.11602035  0.95103002
   0.11374982  0.58426795  0.06274108
   0.38561309  0.67595864  0.26162490
   0.11581599  0.85044865  0.03062623
   0.35988241  0.94114424  0.33252226
   0.41742934  0.87279818  0.14696726
   0.18318483  0.83271445  0.22484712
   0.33271035  0.61785279  0.44973093
   0.05291672  0.62016591  0.39421457
   0.17698838  0.51961944  0.56015996
   0.36598308  0.73697656  0.76876732
   0.12542438  0.78313861  0.52635781
   0.40725115  0.98628023  0.78502837
   0.46185707  0.89171650  0.61524044
   0.20990461  0.90722877  0.67867655
   0.29138624  0.68459921 -0.04983130
   0.04033458  0.67234662  0.89184754
   0.60966281  0.04880697  0.11905968
   0.83999036  0.18612523  0.24470319
   0.63561098  0.27811415  0.02292728
   0.85633046  0.43165765  0.37616581
   0.01426218  0.39657327  0.18070304
   0.76956761  0.40613354  0.16225672
   0.70456040  0.15294524  0.39609463
   0.45771338  0.15170556  0.43353803
   0.64283621  0.07040010  0.57727662
   0.81839071  0.21283681  0.81551877
   0.60207844  0.32140329  0.53472222
   0.87535554  0.46134079  0.84552429
   1.00622463  0.45775892  0.68222667
   0.74920321  0.41396598  0.67485530
   0.75179057  0.04992280  0.96376846
   0.47349717  0.09511770  0.95201375
   0.58743544  0.54834814  0.07145891
   0.86411635  0.66577534  0.26101251
   0.60574176  0.80585497  0.02418380
   0.85369526  0.93797291  0.32866363
   0.93895254  0.85629458  0.15368045
   0.66411604  0.81486087  0.20873712
   0.80042357  0.67940096  0.43939003
   0.57731574  0.54623973  0.37195794
   0.64152378  0.58231397  0.55368427
   0.80676151  0.72098130  0.80548724
   0.54775525  0.79751097  0.43851060
   0.91235115  0.95336486  0.82730065
   0.95490406  0.81711380  0.66781416
   0.69425808  0.92770885  0.72198704
   0.79351653  0.63732355  0.97224472
   0.54922939  0.62986144  0.88697841
   0.70495045  0.83297692  0.55744102
   0.45894857  0.80523693  0.41567668
   0.89395409  0.23909798  0.06573014
   0.75705906  0.45170291  0.22781656
   0.33307680  0.11871150  0.63878991
   0.27015971  0.76809541  0.75902863
   0.16246461  1.13483559  0.17870967
   0.25384369  1.12575752  0.03790472
   0.63445435  0.39458232  0.83920758
   0.91870449  0.45893395  0.65745475
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968117    0.397763   -0.195881
    -0.000000    9.745187   -0.031118
    -0.000000    0.000000   13.932323
   Si   O    H 
    32    64    10
Direct configuration=  2327
   0.14181766  0.16967496 -0.02661777
   0.34724123  0.09920793  0.36222827
   0.12614470  0.42736997  0.10022813
   0.36663948  0.33971747  0.22811716
   0.07472785  0.13993481  0.48330346
   0.38307393  0.11566075  0.85391703
   0.12135907  0.39393956  0.62269907
   0.37334919  0.39069517  0.74787322
   0.13676540  0.70013600 -0.01926886
   0.41227653  0.56755384  0.35251460
   0.08790645  0.90187055  0.14116097
   0.33979653  0.83480286  0.24199459
   0.17263085  0.62823374  0.47660260
   0.38039441  0.63829659  0.86150813
   0.07047941  0.89215438  0.60835120
   0.35171766  0.98502935  0.67663855
   0.61268127  0.11159776  1.01299638
   0.83977780  0.10752372  0.34619363
   0.61948449  0.39344644  0.10106225
   0.90084778  0.28753973  0.16279118
   0.60645821  0.17156364  0.48520327
   0.85742706  0.09391263  0.88488034
   0.61395228  0.44373755  0.61161265
   0.76314170  0.36759716  0.78738660
   0.63240832  0.64926904 -0.01512503
   0.89443508  0.58327059  0.36419710
   0.57911277  0.88504801  0.12318939
   0.82905685  0.82364906  0.23823225
   0.64620138  0.65695936  0.44960751
   0.87933192  0.62365549  0.88263310
   0.62461236  0.91701243  0.61388025
   0.83998561  0.86337323  0.75255246
   0.09217398  0.06970893  0.15428158
   0.31967856  0.18883999  0.26383652
   0.12047198  0.33403113  0.00595996
   0.35173633  0.42024501  0.33148200
   0.51754708  0.33466318  0.17782215
   0.28358259  0.40874957  0.13726620
   0.21419312  0.09236081  0.43171226
  -0.03683531  0.17018580  0.40172031
   0.00816845  0.03831748  0.56277287
   0.43583821  0.24715582  0.79223764
   0.07805658  0.27848599  0.54922272
   0.33714708  0.48637946  0.84535577
   0.47754399  0.45401410  0.66920786
   0.24203486  0.33440012  0.69620457
   0.22330055  0.14971851 -0.12927174
  -0.00182706  0.11666250  0.95127331
   0.11266053  0.58619429  0.06359880
   0.38465620  0.67475633  0.26038697
   0.11505239  0.85115061  0.03136636
   0.36024569  0.94275977  0.33247483
   0.41849705  0.87205441  0.14664952
   0.18259820  0.83347664  0.22406177
   0.33403861  0.61751943  0.44939997
   0.05426524  0.62036194  0.39414254
   0.17622789  0.51910104  0.56127643
   0.36646915  0.73701898  0.76886318
   0.12682180  0.78218141  0.52709516
   0.40617313  0.98489557  0.78469676
   0.46190699  0.89017629  0.61412716
   0.21019282  0.90705392  0.67785270
   0.29174212  0.68552653 -0.05072725
   0.03911052  0.67131267  0.89264614
   0.60907930  0.05019099  0.11899825
   0.84004447  0.18803051  0.24507561
   0.63690964  0.27770364  0.02479148
   0.85651297  0.43412259  0.37543545
   0.01416133  0.39727262  0.18149114
   0.76890836  0.40542361  0.16206508
   0.70647561  0.15227820  0.39717274
   0.45727731  0.15117433  0.43280573
   0.64402857  0.07150397  0.57643167
   0.81865470  0.21222521  0.81601300
   0.60207388  0.32204455  0.53523733
   0.87440593  0.46135246  0.84739746
   1.00611776  0.45842026  0.68233086
   0.74927191  0.41453121  0.67616951
   0.75134596  0.04947348  0.96330685
   0.47399653  0.09356196  0.95208749
   0.58794740  0.54890486  0.07126518
   0.86401962  0.66498551  0.26102307
   0.60502106  0.80678325  0.02481134
   0.85412076  0.93722421  0.32873473
   0.93748863  0.85718888  0.15292437
   0.66370260  0.81397339  0.20949153
   0.79853961  0.68062062  0.43888310
   0.57716736  0.54619560  0.37184377
   0.64068884  0.58238077  0.55483595
   0.80649487  0.71985103  0.80670623
   0.54920548  0.79769787  0.43908129
   0.91157382  0.95233691  0.82688993
   0.95539849  0.81557167  0.66795951
   0.69379381  0.92687436  0.72147550
   0.79436662  0.63662733  0.97190234
   0.55123944  0.62944004  0.88554747
   0.70288675  0.82176228  0.55466155
   0.44541913  0.80493652  0.41505150
   0.89878318  0.24283269  0.06587189
   0.75537492  0.45999427  0.23127595
   0.32979381  0.12053704  0.64426437
   0.28225574  0.76219163  0.76114692
   0.16485600  1.13479808  0.17734476
   0.25280248  1.11720311  0.03591924
   0.62394637  0.39654769  0.84194448
   0.91775981  0.46719600  0.65804194
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.970156    0.396585   -0.195791
    -0.000000    9.745333   -0.033150
    -0.000000    0.000000   13.933654
   Si   O    H 
    32    64    10
Direct configuration=  2328
   0.14336206  0.16900095 -0.02763395
   0.34769408  0.09922087  0.36150745
   0.12795447  0.42816708  0.09951541
   0.36576271  0.34032536  0.22822216
   0.07423605  0.13857429  0.48288697
   0.38310586  0.11506065  0.85393806
   0.12088499  0.39372979  0.62254323
   0.37373646  0.39145766  0.74762823
   0.13640186  0.69994560 -0.01866708
   0.41196223  0.56818297  0.35212537
   0.08703525  0.90195540  0.14160286
   0.34014998  0.83626060  0.24225761
   0.17117205  0.62752940  0.47638121
   0.38056275  0.63735812  0.86034738
   0.07104368  0.89218893  0.60910813
   0.35136658  0.98404893  0.67556946
   0.61467082  0.11044200  1.01334304
   0.83995523  0.10766281  0.34556023
   0.61854632  0.39509687  0.10174598
   0.90006251  0.28645862  0.16328667
   0.60617595  0.17133669  0.48434557
   0.85831136  0.09315486  0.88514334
   0.61445142  0.44390897  0.61322364
   0.76330812  0.36700215  0.78767252
   0.63191622  0.64839569 -0.01488084
   0.89456089  0.58399773  0.36416431
   0.57687635  0.88580371  0.12407559
   0.82926532  0.82527096  0.23809091
   0.64616057  0.65740101  0.44975121
   0.87894739  0.62343242  0.88276875
   0.62474910  0.91610746  0.61370548
   0.84028998  0.86296639  0.75193864
   0.09144541  0.07191027  0.15417777
   0.31980393  0.18845968  0.26269582
   0.12013336  0.33576572  0.00749404
   0.35134224  0.41942437  0.33165516
   0.51835908  0.33427629  0.17748750
   0.28476777  0.40775376  0.13710349
   0.21321208  0.09122949  0.43057810
  -0.03759349  0.17049088  0.40135828
   0.00824672  0.03835771  0.56276115
   0.43409341  0.24718241  0.79421154
   0.07628704  0.27654420  0.54875172
   0.33630822  0.48623865  0.84570980
   0.47519506  0.45396538  0.66939966
   0.24223002  0.33482438  0.69611617
   0.22528163  0.15186517 -0.12933383
  -0.00272744  0.11717704  0.95109426
   0.11203071  0.58736295  0.06434744
   0.38383195  0.67326327  0.26017495
   0.11471039  0.85130134  0.03171243
   0.36111954  0.94314160  0.33212926
   0.41981913  0.87178470  0.14673760
   0.18148072  0.83480596  0.22354025
   0.33521849  0.61720829  0.44944483
   0.05509481  0.61944866  0.39397842
   0.17545211  0.51862496  0.56180927
   0.36793134  0.73674424  0.76871341
   0.12841515  0.78077065  0.52776929
   0.40566662  0.98442596  0.78469125
   0.46247479  0.88952220  0.61285663
   0.20953616  0.90807828  0.67686777
   0.29163794  0.68616610 -0.05130592
   0.03755276  0.67027185  0.89364524
   0.60791567  0.05214959  0.11917063
   0.83966064  0.18994853  0.24509921
   0.63797832  0.27670734  0.02607207
   0.85716479  0.43514575  0.37467831
   0.01443095  0.39734796  0.18254131
   0.76778547  0.40668380  0.16155080
   0.70785715  0.15171647  0.39915349
   0.45737455  0.15037888  0.43270038
   0.64504994  0.07280441  0.57492757
   0.81860822  0.21238729  0.81580647
   0.60081044  0.32244668  0.53476794
   0.87369151  0.46172786  0.84852331
   1.00581663  0.45916332  0.68237074
   0.74960164  0.41503852  0.67674916
   0.75074589  0.04948741  0.96246914
   0.47479785  0.09180632  0.95201580
   0.58877963  0.54876029  0.07057283
   0.86470625  0.66356677  0.26143834
   0.60363835  0.80739987  0.02504059
   0.85432813  0.93578027  0.32865897
   0.93531518  0.85774695  0.15219152
   0.66320720  0.81281901  0.21094231
   0.79727697  0.68191565  0.43822527
   0.57711229  0.54626593  0.37149363
   0.63954812  0.58248924  0.55536762
   0.80632626  0.71892367  0.80755497
   0.55095445  0.79746544  0.43934119
   0.91125314  0.95163185  0.82723632
   0.95600574  0.81425646  0.66850906
   0.69283498  0.92675103  0.72122350
   0.79407993  0.63632500  0.97218979
   0.55217601  0.62992725  0.88378860
   0.70191922  0.81107772  0.55017498
   0.44927673  0.80138449  0.41710061
   0.90178467  0.24568915  0.06170849
   0.75377620  0.46483131  0.22922352
   0.32941222  0.12271764  0.64671246
   0.26706458  0.76386708  0.75791236
   0.16436229  1.12844716  0.17506234
   0.25079381  1.11082755  0.03556109
   0.61845834  0.39040706  0.84187211
   0.90802078  0.47921582  0.65761680
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972630    0.394614   -0.195683
    -0.000000    9.745908   -0.035068
    -0.000000    0.000000   13.934867
   Si   O    H 
    32    64    10
Direct configuration=  2329
   0.14441842  0.16895568 -0.02887157
   0.34731538  0.09979538  0.36099504
   0.12884005  0.42899871  0.09884271
   0.36551655  0.34098850  0.22853626
   0.07390563  0.13639915  0.48287239
   0.38368783  0.11422894  0.85383427
   0.12075652  0.39366774  0.62269195
   0.37462205  0.39273205  0.74719604
   0.13661794  0.69928859 -0.01757115
   0.41233481  0.56877934  0.35206669
   0.08616702  0.90178325  0.14180251
   0.34111232  0.83740367  0.24267571
   0.16991480  0.62712729  0.47671124
   0.38062161  0.63673413  0.85908198
   0.07196521  0.89131897  0.60928934
   0.35053268  0.98235148  0.67461991
   0.61688395  0.10993992  1.01373908
   0.84021330  0.10686736  0.34493279
   0.61773829  0.39577870  0.10251875
   0.89904538  0.28548716  0.16339994
   0.60519831  0.17098423  0.48398910
   0.86000298  0.09150952  0.88542402
   0.61492139  0.44354331  0.61410398
   0.76263359  0.36729194  0.78819702
   0.63129373  0.64731990 -0.01457182
   0.89481566  0.58542501  0.36411726
   0.57378478  0.88610214  0.12484955
   0.82981743  0.82652951  0.23835406
   0.64508944  0.65806493  0.44975224
   0.87986859  0.62324324  0.88268724
   0.62428245  0.91462161  0.61344791
   0.84024004  0.86221560  0.75088492
   0.08979991  0.07407718  0.15421754
   0.31979125  0.18859309  0.26140542
   0.12071217  0.33640377  0.00833325
   0.35091221  0.41865358  0.33148887
   0.51905582  0.33347974  0.17785333
   0.28588057  0.40694335  0.13672516
   0.21238774  0.09006939  0.42949649
  -0.03791976  0.17036284  0.40150100
   0.00801279  0.03858995  0.56229350
   0.43246322  0.24761159  0.79554869
   0.07433253  0.27561839  0.54895279
   0.33471447  0.48550386  0.84630292
   0.47222222  0.45426187  0.66940481
   0.24120597  0.33551733  0.69550952
   0.22702812  0.15377498 -0.12960151
  -0.00358337  0.11731745  0.95094645
   0.11148685  0.58857962  0.06590356
   0.38360425  0.67162207  0.25988479
   0.11518806  0.85162717  0.03180990
   0.36206684  0.94295966  0.33178466
   0.42060932  0.87133943  0.14634872
   0.18050088  0.83460653  0.22282089
   0.33591147  0.61748683  0.44926749
   0.05494894  0.61887621  0.39404868
   0.17435811  0.51818001  0.56252935
   0.36888007  0.73595939  0.76851770
   0.12966801  0.77904611  0.52827836
   0.40567527  0.98402190  0.78486460
   0.46257375  0.88962538  0.61146402
   0.20826193  0.90939977  0.67582811
   0.29160214  0.68687618 -0.05188422
   0.03656419  0.66957914  0.89446561
   0.60716217  0.05326670  0.11932885
   0.83870067  0.19119312  0.24508862
   0.63822357  0.27637809  0.02686146
   0.85838193  0.43490856  0.37421872
   0.01420617  0.39694999  0.18369369
   0.76572463  0.40821169  0.16090221
   0.70850200  0.15129844  0.40137993
   0.45782869  0.14948775  0.43280476
   0.64699759  0.07442767  0.57381501
   0.81809299  0.21319636  0.81477331
   0.59918885  0.32326246  0.53436903
   0.87250043  0.46271180  0.84963855
   1.00434166  0.46030785  0.68242952
   0.75030191  0.41528985  0.67733568
   0.74903917  0.04921871  0.96191393
   0.47579310  0.08998296  0.95176285
   0.58973708  0.54863715  0.06949497
   0.86558432  0.66202578  0.26218946
   0.60302560  0.80853382  0.02555711
   0.85491531  0.93533579  0.32862756
   0.93205048  0.85876745  0.15169450
   0.66342659  0.81161101  0.21182268
   0.79627468  0.68375558  0.43782277
   0.57636349  0.54606679  0.37169884
   0.63809485  0.58318931  0.55591885
   0.80573654  0.71895469  0.80780037
   0.55175676  0.79828599  0.43921142
   0.91111003  0.95235200  0.82787827
   0.95562624  0.81285441  0.66930234
   0.69174999  0.92605733  0.72087522
   0.79346658  0.63682289  0.97408865
   0.55303033  0.62960483  0.88273724
   0.70249709  0.80996558  0.55334579
   0.46685987  0.79485112  0.42269989
   0.90230280  0.24907499  0.05791222
   0.75188800  0.46501517  0.22356183
   0.32559643  0.12658473  0.64713428
   0.26242825  0.76517141  0.75441525
   0.16746897  1.12099202  0.17223075
   0.24338732  1.10496733  0.03608558
   0.61955839  0.38029627  0.83871149
   0.90839591  0.48740653  0.65787213
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975248    0.392256   -0.195115
    -0.000000    9.746330   -0.036726
    -0.000000    0.000000   13.935926
   Si   O    H 
    32    64    10
Direct configuration=  2330
   0.14528339  0.16889306 -0.03019822
   0.34589436  0.10047100  0.36085611
   0.12905197  0.42998558  0.09791419
   0.36592535  0.34106995  0.22875550
   0.07428679  0.13461244  0.48283734
   0.38452843  0.11408864  0.85370902
   0.12066738  0.39348817  0.62235683
   0.37613841  0.39302148  0.74708464
   0.13678761  0.69875961 -0.01633963
   0.41305382  0.56940604  0.35212615
   0.08537255  0.90186571  0.14215401
   0.34159098  0.83769105  0.24352981
   0.16864607  0.62739127  0.47670350
   0.38106588  0.63601365  0.85829030
   0.07278062  0.89034319  0.60941160
   0.35020258  0.98062779  0.67370678
   0.61895708  0.10987149  1.01370896
   0.84010173  0.10602807  0.34458338
   0.61691045  0.39634347  0.10351950
   0.89776502  0.28391024  0.16387695
   0.60397322  0.17129274  0.48380172
   0.86144119  0.08964298  0.88541515
   0.61562405  0.44355235  0.61442563
   0.76160884  0.36756058  0.78871010
   0.63093683  0.64641827 -0.01401588
   0.89535476  0.58725883  0.36423672
   0.57091691  0.88606879  0.12535746
   0.83026716  0.82786685  0.23852487
   0.64333587  0.65812007  0.44970364
   0.88138683  0.62272483  0.88282649
   0.62453722  0.91337229  0.61331822
   0.84010362  0.86074801  0.74999794
   0.08762482  0.07525481  0.15426423
   0.31930742  0.18840539  0.26007639
   0.12198532  0.33553117  0.00883410
   0.35053230  0.41805944  0.33097014
   0.51898651  0.33230611  0.17913708
   0.28643254  0.40552295  0.13615064
   0.21085695  0.08925065  0.42843036
  -0.03795118  0.17085906  0.40160521
   0.00802411  0.03823538  0.56184975
   0.43145276  0.24851481  0.79607596
   0.07290161  0.27440773  0.54975164
   0.33349078  0.48478914  0.84645281
   0.46996187  0.45428133  0.66998247
   0.23997379  0.33629449  0.69531453
   0.22881506  0.15593782 -0.13036040
  -0.00481939  0.11814044  0.95065818
   0.11109937  0.58915083  0.06756028
   0.38347354  0.67037424  0.25977491
   0.11666499  0.85180917  0.03208380
   0.36283653  0.94182707  0.33136250
   0.42062995  0.87061418  0.14629312
   0.17968834  0.83311117  0.22228776
   0.33625407  0.61888839  0.44883938
   0.05459677  0.61791427  0.39385977
   0.17386626  0.51728525  0.56273643
   0.36889408  0.73496612  0.76767965
   0.13015388  0.77790334  0.52888604
   0.40550258  0.98371960  0.78554626
   0.46185341  0.89031146  0.60980056
   0.20683501  0.91068052  0.67497705
   0.29089734  0.68758040 -0.05218316
   0.03554195  0.66857201  0.89482756
   0.60684814  0.05432614  0.11958584
   0.83691808  0.19177693  0.24499706
   0.63789218  0.27536410  0.02674386
   0.86004925  0.43428085  0.37400564
   0.01400839  0.39664779  0.18462221
   0.76381631  0.40960579  0.16060218
   0.70856045  0.15046338  0.40299258
   0.45842087  0.14930379  0.43259881
   0.64874027  0.07526930  0.57344156
   0.81683007  0.21362388  0.81397198
   0.59842648  0.32482008  0.53343805
   0.87131940  0.46368542  0.85026509
   1.00275222  0.46131133  0.68274284
   0.75107850  0.41556580  0.67752585
   0.74771594  0.04881951  0.96071834
   0.47660088  0.08763754  0.95158269
   0.59065936  0.54926344  0.06902870
   0.86662640  0.66093102  0.26249955
   0.60210220  0.80939737  0.02580413
   0.85438847  0.93629983  0.32864691
   0.92955255  0.85984836  0.15148383
   0.66373128  0.81077218  0.21259930
   0.79670078  0.68481539  0.43770164
   0.57498270  0.54633835  0.37184230
   0.63682827  0.58403620  0.55576597
   0.80446591  0.71926610  0.80774957
   0.55461109  0.79914285  0.43914564
   0.91165056  0.95399887  0.82821780
   0.95447209  0.81198973  0.66996628
   0.69059849  0.92546751  0.72056268
   0.79204405  0.63685459  0.97596751
   0.55311093  0.62959283  0.88149008
   0.70082452  0.81223566  0.55646381
   0.45882505  0.79164089  0.42317127
   0.90221909  0.25333756  0.05863261
   0.75301402  0.46303267  0.21564869
   0.32361123  0.12596488  0.64589907
   0.26976967  0.76270559  0.75450362
   0.17519098  1.11632240  0.16986307
   0.23847338  1.10053519  0.03608821
   0.62482199  0.37152916  0.83093254
   0.91685215  0.49349455  0.65973191
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978166    0.389507   -0.194208
    -0.000000    9.746422   -0.038441
    -0.000000    0.000000   13.936985
   Si   O    H 
    32    64    10
Direct configuration=  2331
   0.14615902  0.16841697 -0.03170712
   0.34417689  0.10187936  0.36058329
   0.12915933  0.43051365  0.09762673
   0.36591803  0.34080844  0.22862236
   0.07484138  0.13296526  0.48290073
   0.38511266  0.11448600  0.85377297
   0.12024109  0.39358900  0.62169395
   0.37782602  0.39266472  0.74693419
   0.13672623  0.69820970 -0.01524704
   0.41373850  0.57002278  0.35261685
   0.08424488  0.90183553  0.14232317
   0.34242614  0.83718613  0.24455353
   0.16761776  0.62798508  0.47683492
   0.38202220  0.63517863  0.85744814
   0.07350638  0.88882793  0.60961953
   0.35085010  0.97949415  0.67297599
   0.62040536  0.11008658  1.01318670
   0.83966940  0.10537851  0.34443529
   0.61581755  0.39625484  0.10449614
   0.89644207  0.28276023  0.16400959
   0.60207063  0.17209163  0.48371496
   0.86316153  0.08793929  0.88581328
   0.61588553  0.44353791  0.61422757
   0.76041184  0.36749838  0.78906081
   0.63124807  0.64622785 -0.01364020
   0.89563196  0.58920186  0.36461418
   0.56879916  0.88595687  0.12596457
   0.83087319  0.82905708  0.23880341
   0.64175834  0.65814464  0.44961860
   0.88304885  0.62232192  0.88287466
   0.62488120  0.91274125  0.61306006
   0.84013363  0.85929508  0.74910821
   0.08538217  0.07631800  0.15471010
   0.31892345  0.18826469  0.25943419
   0.12279675  0.33345242  0.00866477
   0.35023704  0.41692816  0.33005603
   0.51777526  0.33218256  0.17999329
   0.28682433  0.40385866  0.13565542
   0.20925794  0.08861565  0.42789507
  -0.03745485  0.17064834  0.40155556
   0.00832498  0.03563728  0.56113047
   0.43167691  0.24984466  0.79633053
   0.07184015  0.27423297  0.55038597
   0.33334783  0.48332451  0.84602685
   0.46765236  0.45432835  0.67027941
   0.23858152  0.33825261  0.69464208
   0.22971283  0.15823147 -0.13167543
  -0.00567516  0.11920253  0.95005960
   0.11071442  0.58927090  0.06923536
   0.38323211  0.66863871  0.25921064
   0.11811120  0.85147639  0.03168484
   0.36476852  0.94121594  0.33057397
   0.41913419  0.86961502  0.14617481
   0.17949752  0.83184577  0.22182349
   0.33577321  0.62025504  0.44897770
   0.05451095  0.61679598  0.39339765
   0.17401425  0.51690429  0.56254666
   0.36774463  0.73388906  0.76723806
   0.13066364  0.77626569  0.52925574
   0.40570207  0.98424855  0.78609466
   0.46163695  0.89068053  0.60821391
   0.20544476  0.91230140  0.67457507
   0.29077671  0.68833880 -0.05242613
   0.03457002  0.66676040  0.89475289
   0.60667985  0.05382198  0.12008062
   0.83492444  0.19272536  0.24526486
   0.63667872  0.27454988  0.02628732
   0.86135249  0.43319893  0.37370283
   0.01455719  0.39590081  0.18508231
   0.76108668  0.41026170  0.16026063
   0.70872745  0.15017395  0.40361568
   0.45893275  0.14946634  0.43224134
   0.65008867  0.07637957  0.57332560
   0.81532794  0.21313763  0.81322390
   0.59764468  0.32607019  0.53252034
   0.86983818  0.46403855  0.85113900
   1.00063845  0.46218254  0.68334760
   0.75191923  0.41620434  0.67745562
   0.74655952  0.04789830  0.96030420
   0.47729998  0.08509740  0.95138674
   0.59114064  0.55016158  0.06860793
   0.86793662  0.65932340  0.26256222
   0.60113089  0.80959008  0.02535087
   0.85402680  0.93679019  0.32901478
   0.92684674  0.86133527  0.15149326
   0.66347974  0.81045685  0.21290465
   0.79684294  0.68706186  0.43744478
   0.57321473  0.54634077  0.37224129
   0.63614520  0.58445628  0.55524550
   0.80340085  0.72122629  0.80757126
   0.55775102  0.80001583  0.43904438
   0.91193532  0.95623462  0.82868352
   0.95365921  0.81151244  0.67074783
   0.68958776  0.92545660  0.72004789
   0.79165203  0.63639076  0.97800886
   0.55265534  0.62869365  0.88083468
   0.69925374  0.81685676  0.56002033
   0.45495008  0.78804104  0.42675638
   0.90112186  0.25524315  0.06378429
   0.75830921  0.46532666  0.21264881
   0.32140406  0.12387194  0.64071453
   0.28503464  0.75994232  0.75378194
   0.18038583  1.11034762  0.16939106
   0.23290720  1.09616593  0.03930736
   0.63309927  0.36623765  0.82242472
   0.91982201  0.49754476  0.65971425
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981294    0.386129   -0.193071
    -0.000000    9.746748   -0.040159
    -0.000000    0.000000   13.938083
   Si   O    H 
    32    64    10
Direct configuration=  2332
   0.14675442  0.16813452 -0.03317616
   0.34266517  0.10320752  0.36007951
   0.12889772  0.43008332  0.09769247
   0.36661380  0.34014608  0.22837913
   0.07480540  0.13211209  0.48286655
   0.38653393  0.11473224  0.85410734
   0.11984864  0.39372170  0.62111124
   0.37926702  0.39230835  0.74750043
   0.13618982  0.69804986 -0.01438746
   0.41415369  0.57047207  0.35318894
   0.08319587  0.90184550  0.14206505
   0.34334461  0.83618173  0.24567820
   0.16710334  0.62919601  0.47746461
   0.38352622  0.63485286  0.85711709
   0.07353705  0.88728742  0.60960133
   0.35149863  0.97813179  0.67203167
   0.62141946  0.11002477  1.01260559
   0.83901087  0.10520568  0.34443454
   0.61465057  0.39585010  0.10539717
   0.89624321  0.28200702  0.16464027
   0.60053254  0.17291984  0.48381961
   0.86354924  0.08655505  0.88611592
   0.61608200  0.44337324  0.61382387
   0.75983345  0.36782434  0.78970586
   0.63138396  0.64642316 -0.01304662
   0.89608354  0.59062479  0.36545474
   0.56722497  0.88606369  0.12656803
   0.83119508  0.82933157  0.23943780
   0.64028935  0.65797763  0.44942936
   0.88486745  0.62209987  0.88295996
   0.62475343  0.91266195  0.61234886
   0.83952671  0.85809769  0.74855378
   0.08366052  0.07649928  0.15451894
   0.31842246  0.18778668  0.25828214
   0.12354182  0.33108093  0.00845972
   0.34976070  0.41566531  0.32903511
   0.51550140  0.33147561  0.18075344
   0.28649903  0.40179204  0.13560602
   0.20838481  0.08810911  0.42702522
  -0.03679804  0.17050802  0.40185160
   0.00905198  0.03309296  0.56075873
   0.43199651  0.25151177  0.79680835
   0.07058650  0.27397783  0.55042516
   0.33349810  0.48231145  0.84504948
   0.46586374  0.45529752  0.67015203
   0.23687001  0.34037543  0.69452223
   0.23061197  0.16040349 -0.13269908
  -0.00560374  0.11981090  0.94951180
   0.11007848  0.58947292  0.07060459
   0.38294286  0.66672344  0.25864266
   0.11957625  0.85065557  0.03132318
   0.36616661  0.94005763  0.33013340
   0.41678935  0.86862321  0.14610808
   0.17900542  0.82994835  0.22222697
   0.33417196  0.62209779  0.44890033
   0.05415420  0.61633254  0.39301428
   0.17486732  0.51675049  0.56236239
   0.36793050  0.73187639  0.76717218
   0.13126472  0.77502507  0.52942286
   0.40512094  0.98459684  0.78656639
   0.46103907  0.89112061  0.60707174
   0.20394251  0.91463938  0.67484435
   0.29053544  0.68955830 -0.05305329
   0.03348978  0.66539010  0.89481318
   0.60701823  0.05213042  0.12064343
   0.83270341  0.19326514  0.24548744
   0.63669584  0.27448731  0.02574315
   0.86213510  0.43264792  0.37292387
   0.01592745  0.39569673  0.18547675
   0.75828586  0.40969996  0.15990774
   0.70919396  0.14923654  0.40328861
   0.45970510  0.14925939  0.43207214
   0.65062260  0.07759802  0.57318439
   0.81416526  0.21244547  0.81253537
   0.59674072  0.32712773  0.53121658
   0.86799223  0.46479661  0.85167532
   0.99988592  0.46283245  0.68433574
   0.75317633  0.41709621  0.67767513
   0.74616537  0.04736700  0.95984651
   0.47745077  0.08274907  0.95185240
   0.59068631  0.54951937  0.06889343
   0.86924416  0.65775449  0.26233211
   0.60059048  0.80884892  0.02482874
   0.85344881  0.93703627  0.32900637
   0.92536654  0.86235348  0.15164676
   0.66413075  0.81022262  0.21370499
   0.79713267  0.68876480  0.43657970
   0.57117939  0.54673977  0.37291835
   0.63548244  0.58521424  0.55508286
   0.80159524  0.72236472  0.80674788
   0.55988596  0.80166083  0.43841810
   0.91185950  0.95777554  0.82920027
   0.95352133  0.81053926  0.67110342
   0.68921432  0.92540189  0.71965971
   0.79176122  0.63563441  0.97980538
   0.55108036  0.62744754  0.88042675
   0.70200845  0.81675278  0.55973244
   0.46195698  0.78677973  0.43281283
   0.89808332  0.25518841  0.06392448
   0.76248810  0.47662910  0.21926165
   0.32324104  0.12079258  0.63431026
   0.27378895  0.76612866  0.74829195
   0.17835659  1.10388290  0.16970138
   0.22879488  1.09226323  0.04063491
   0.63009856  0.36384021  0.81761677
   0.91185621  0.50325303  0.65337110
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984161    0.383093   -0.191832
    -0.000000    9.747137   -0.041928
    -0.000000    0.000000   13.939120
   Si   O    H 
    32    64    10
Direct configuration=  2333
   0.14769400  0.16800742 -0.03450433
   0.34083508  0.10482014  0.35976033
   0.12871456  0.42955562  0.09783166
   0.36704603  0.33922391  0.22810766
   0.07482842  0.13120228  0.48288557
   0.38799079  0.11506015  0.85441298
   0.11910829  0.39357164  0.62039555
   0.37979242  0.39180632  0.74803169
   0.13625096  0.69781274 -0.01385536
   0.41427517  0.57063166  0.35375694
   0.08247646  0.90175254  0.14195402
   0.34328487  0.83469049  0.24667294
   0.16648948  0.63093928  0.47802714
   0.38441406  0.63449895  0.85716975
   0.07343434  0.88508815  0.60959044
   0.35207395  0.97681268  0.67182936
   0.62253746  0.10961158  1.01182520
   0.83899093  0.10560608  0.34431836
   0.61384769  0.39522200  0.10625141
   0.89554988  0.28233375  0.16522783
   0.59894932  0.17439927  0.48446320
   0.86388164  0.08613788  0.88640641
   0.61586958  0.44276592  0.61345595
   0.76016663  0.36864729  0.79030408
   0.63186719  0.64723008 -0.01275670
   0.89617872  0.59134022  0.36629831
   0.56639485  0.88627082  0.12679713
   0.83103690  0.83015091  0.24001042
   0.63926688  0.65801455  0.44942949
   0.88643781  0.62236455  0.88281087
   0.62483897  0.91291099  0.61167043
   0.83819230  0.85678233  0.74793097
   0.08227891  0.07677690  0.15454955
   0.31798724  0.18671265  0.25715778
   0.12337464  0.32870971  0.00813538
   0.34951448  0.41438016  0.32814794
   0.51380632  0.33140561  0.18109612
   0.28632915  0.40007157  0.13566411
   0.20794593  0.08646381  0.42608594
  -0.03605234  0.16983204  0.40193849
   0.00943750  0.02982931  0.56074993
   0.43229239  0.25312984  0.79713786
   0.06879882  0.27328906  0.55005599
   0.33337675  0.48047766  0.84383261
   0.46464666  0.45562205  0.66988970
   0.23666695  0.34268111  0.69459998
   0.23070765  0.16211784 -0.13411832
  -0.00480798  0.12005364  0.94952624
   0.10973702  0.58976010  0.07152076
   0.38315587  0.66489258  0.25819674
   0.11967033  0.84929796  0.03104793
   0.36701024  0.93954202  0.32993734
   0.41341154  0.86777497  0.14585874
   0.17868385  0.82889889  0.22247800
   0.33284219  0.62431069  0.44920494
   0.05397154  0.61553849  0.39349065
   0.17605680  0.51723836  0.56171492
   0.36820555  0.73019705  0.76672224
   0.13236743  0.77350437  0.52919974
   0.40438595  0.98459538  0.78693567
   0.46042872  0.89203512  0.60616222
   0.20262033  0.91737670  0.67549601
   0.28942749  0.69124507 -0.05306875
   0.03332655  0.66424006  0.89554342
   0.60717079  0.05083196  0.12096181
   0.83116347  0.19415390  0.24543613
   0.63686233  0.27465446  0.02550508
   0.86212649  0.43287067  0.37218469
   0.01827500  0.39572456  0.18547527
   0.75632996  0.41106212  0.16001770
   0.70959070  0.14846435  0.40353600
   0.45931057  0.14849865  0.43199910
   0.65032023  0.07716580  0.57313736
   0.81384154  0.21099527  0.81187289
   0.59574540  0.32768762  0.53040282
   0.86583881  0.46481346  0.85196888
   0.99806508  0.46445676  0.68542523
   0.75403460  0.41782409  0.67793265
   0.74626213  0.04662272  0.95869336
   0.47847521  0.08076921  0.95262714
   0.58982656  0.54907782  0.06887650
   0.87047230  0.65670919  0.26175693
   0.59993462  0.80734348  0.02462531
   0.85310097  0.93725979  0.32919386
   0.92387138  0.86326267  0.15196706
   0.66424963  0.81089541  0.21420048
   0.79709556  0.68945733  0.43516636
   0.56973756  0.54743922  0.37341954
   0.63458220  0.58562609  0.55524226
   0.80017511  0.72281648  0.80616114
   0.56070480  0.80338751  0.43732438
   0.91221922  0.95882926  0.82959677
   0.95367027  0.80928839  0.67080385
   0.68949569  0.92486626  0.71978079
   0.79181173  0.63529753  0.98166098
   0.54949570  0.62604000  0.88034347
   0.70519582  0.81449044  0.55749342
   0.46940576  0.78874489  0.43956453
   0.89322907  0.24993935  0.06215362
   0.76808603  0.48064256  0.22263909
   0.32728604  0.11542006  0.62862220
   0.26720745  0.76815081  0.74549379
   0.17353824  1.09954713  0.16845240
   0.22518978  1.09033404  0.04126276
   0.61753029  0.36303937  0.81475509
   0.91288665  0.50499182  0.64840347
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987162    0.380483   -0.190559
    -0.000000    9.748017   -0.044630
    -0.000000    0.000000   13.940494
   Si   O    H 
    32    64    10
Direct configuration=  2334
   0.14870897  0.16890682 -0.03560273
   0.33910237  0.10605870  0.35961966
   0.12857894  0.42922878  0.09831278
   0.36721077  0.33782037  0.22797385
   0.07485808  0.13102384  0.48308027
   0.38876924  0.11582006  0.85467680
   0.11802809  0.39348430  0.62002677
   0.37973176  0.39056413  0.74885757
   0.13667661  0.69765654 -0.01355187
   0.41438579  0.57085195  0.35412893
   0.08108965  0.90203159  0.14170558
   0.34290690  0.83282638  0.24710380
   0.16655461  0.63287241  0.47839614
   0.38525142  0.63382738  0.85709322
   0.07324758  0.88277109  0.60938822
   0.35290557  0.97562212  0.67146415
   0.62278436  0.10924075  1.01138122
   0.83945107  0.10633018  0.34423930
   0.61298775  0.39469255  0.10671870
   0.89495986  0.28204676  0.16628944
   0.59771649  0.17539924  0.48522051
   0.86378480  0.08599567  0.88665381
   0.61525302  0.44158630  0.61300082
   0.76010858  0.36943604  0.79084033
   0.63195654  0.64806658 -0.01227149
   0.89709017  0.59287142  0.36756824
   0.56571582  0.88622500  0.12678313
   0.83105017  0.83042688  0.24046648
   0.63891771  0.65886288  0.44971921
   0.88758921  0.62206418  0.88237925
   0.62416578  0.91348059  0.61039110
   0.83667821  0.85546617  0.74773247
   0.08136938  0.07624754  0.15396833
   0.31735288  0.18536508  0.25621586
   0.12270974  0.32663702  0.00841468
   0.34966967  0.41360483  0.32776296
   0.51154158  0.33223960  0.18167196
   0.28595502  0.39888604  0.13567674
   0.20757784  0.08512533  0.42441081
  -0.03530226  0.16835024  0.40198506
   0.01017699  0.02572439  0.56060743
   0.43269836  0.25438421  0.79747500
   0.06682495  0.27294876  0.55010448
   0.33273338  0.47890024  0.84244422
   0.46447072  0.45624675  0.66913918
   0.23660900  0.34554725  0.69446902
   0.23087889  0.16393991 -0.13579029
  -0.00430830  0.11973359  0.94977091
   0.10868641  0.59069442  0.07279389
   0.38309849  0.66341229  0.25758502
   0.11989084  0.84844647  0.03113439
   0.36744311  0.93943178  0.32950885
   0.40911063  0.86659616  0.14624082
   0.17864676  0.82720464  0.22236482
   0.33218034  0.62637325  0.44965287
   0.05330522  0.61496162  0.39365702
   0.17735204  0.51817014  0.56099088
   0.36785063  0.72974417  0.76572063
   0.13249000  0.77273420  0.52927962
   0.40419271  0.98495386  0.78699459
   0.45978095  0.89268228  0.60581933
   0.20053173  0.91992983  0.67623388
   0.28876450  0.69242935 -0.05306769
   0.03434941  0.66439914  0.89713788
   0.60774522  0.04922683  0.12135028
   0.83032041  0.19511393  0.24545121
   0.63663899  0.27531564  0.02473742
   0.86167010  0.43282676  0.37169266
   0.01959551  0.39524735  0.18502847
   0.75473862  0.41175572  0.16106042
   0.70927811  0.14790653  0.40333455
   0.45884891  0.14717100  0.43127673
   0.65063612  0.07563127  0.57307923
   0.81396042  0.20932943  0.81170196
   0.59504613  0.32863334  0.53000367
   0.86301619  0.46512850  0.85176134
   0.99510440  0.46631807  0.68679005
   0.75417005  0.41911627  0.67803922
   0.74609182  0.04549874  0.95732099
   0.47953279  0.07940489  0.95347026
   0.58848354  0.54856003  0.06885945
   0.87048274  0.65666843  0.26110933
   0.59912605  0.80605137  0.02433111
   0.85253386  0.93784662  0.32987626
   0.92282105  0.86386342  0.15266250
   0.66425402  0.81205744  0.21516681
   0.79823034  0.68965193  0.43358861
   0.56907818  0.54846716  0.37376568
   0.63278394  0.58565669  0.55545125
   0.79961761  0.72223867  0.80591744
   0.56274585  0.80549882  0.43665279
   0.91217006  0.95859669  0.82943737
   0.95421258  0.80783387  0.67031386
   0.69012260  0.92421501  0.72027478
   0.79279193  0.63465629  0.98331867
   0.54808513  0.62460912  0.88049942
   0.71255299  0.81049741  0.55490665
   0.46583052  0.79462945  0.44686637
   0.88449560  0.24510963  0.06081116
   0.76958857  0.47648944  0.22266020
   0.33065254  0.11096768  0.62469102
   0.27523686  0.76546265  0.74509042
   0.16957410  1.09976769  0.16905571
   0.22287042  1.09105695  0.04016298
   0.60645289  0.36543356  0.81200400
   0.92336130  0.50321052  0.64674714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990103    0.377797   -0.189038
    -0.000000    9.749067   -0.047583
    -0.000000    0.000000   13.942005
   Si   O    H 
    32    64    10
Direct configuration=  2335
   0.14966911  0.16905163 -0.03684398
   0.33735797  0.10741456  0.35930610
   0.12850810  0.42941144  0.09900517
   0.36726737  0.33700492  0.22775993
   0.07457051  0.13116096  0.48294248
   0.38997166  0.11631159  0.85494270
   0.11653167  0.39369641  0.61984469
   0.37918140  0.38917418  0.74960708
   0.13790219  0.69744488 -0.01365384
   0.41330230  0.57012422  0.35460852
   0.07983364  0.90261124  0.14122922
   0.34220972  0.83091261  0.24764361
   0.16645460  0.63367058  0.47891251
   0.38584908  0.63365810  0.85734811
   0.07318487  0.88052004  0.60840537
   0.35388401  0.97444547  0.67163445
   0.62248081  0.10939346  1.01078436
   0.84003359  0.10645775  0.34429844
   0.61179282  0.39400446  0.10730792
   0.89468976  0.28180946  0.16713995
   0.59759262  0.17616922  0.48607871
   0.86390611  0.08578516  0.88727570
   0.61496600  0.44042681  0.61243990
   0.76070524  0.36912117  0.79187003
   0.63200095  0.64923359 -0.01214588
   0.89784348  0.59383278  0.36921073
   0.56507086  0.88654408  0.12631719
   0.83097708  0.83014757  0.24095603
   0.63896212  0.65883446  0.45032256
   0.88714744  0.62204303  0.88168650
   0.62440294  0.91461419  0.60898952
   0.83539745  0.85451115  0.74766605
   0.08021876  0.07544224  0.15372972
   0.31681229  0.18413103  0.25568415
   0.12194324  0.32398423  0.00797106
   0.35043297  0.41392171  0.32763464
   0.50916854  0.33380652  0.18239342
   0.28610669  0.39824275  0.13529050
   0.20787477  0.08401124  0.42283927
  -0.03439223  0.16698626  0.40148993
   0.01112813  0.02155565  0.56027922
   0.43346401  0.25552457  0.79732343
   0.06511492  0.27238343  0.55006723
   0.33257812  0.47771724  0.84166879
   0.46401203  0.45693732  0.66819326
   0.23686075  0.34746483  0.69360851
   0.23061323  0.16573479 -0.13730646
  -0.00494810  0.11947071  0.95024742
   0.10912543  0.59128696  0.07367250
   0.38223688  0.66259130  0.25698167
   0.11903012  0.84733484  0.03131159
   0.36764183  0.93966011  0.32951952
   0.40513766  0.86502895  0.14669243
   0.17800079  0.82502017  0.22187632
   0.33102425  0.62885859  0.44955902
   0.05342678  0.61306329  0.39430292
   0.17919762  0.51925674  0.56030964
   0.36706423  0.73016774  0.76506788
   0.13196872  0.77239513  0.53020103
   0.40401667  0.98520667  0.78667701
   0.45905069  0.89234719  0.60490087
   0.19799863  0.92142227  0.67720901
   0.28838474  0.69394759 -0.05253315
   0.03495108  0.66527480  0.89805612
   0.60758216  0.04752375  0.12199237
   0.82966305  0.19604482  0.24618303
   0.63641864  0.27581554  0.02421057
   0.86056226  0.43349802  0.37150774
   0.02010466  0.39328083  0.18418731
   0.75455111  0.41231992  0.16260636
   0.70920027  0.14734660  0.40314044
   0.45866642  0.14673116  0.43057389
   0.64996730  0.07415383  0.57271039
   0.81487158  0.20757007  0.81138420
   0.59398490  0.32933444  0.52938865
   0.85981022  0.46503282  0.85149094
   0.99300060  0.46780493  0.68770093
   0.75350090  0.42028090  0.67767371
   0.74699223  0.04446651  0.95600684
   0.48071833  0.07817020  0.95363495
   0.58784246  0.54822656  0.06881156
   0.87100650  0.65824876  0.26041279
   0.59711751  0.80518975  0.02401703
   0.85194668  0.93772007  0.33087308
   0.92155564  0.86493889  0.15318879
   0.66494204  0.81363572  0.21596760
   0.79927221  0.68950121  0.43248455
   0.56846188  0.54969590  0.37458832
   0.63237245  0.58623579  0.55545415
   0.79928279  0.72119536  0.80623338
   0.56425975  0.80744144  0.43588943
   0.91165507  0.95786936  0.82820528
   0.95486600  0.80628105  0.67004639
   0.69150472  0.92363820  0.72120561
   0.79498893  0.63366403  0.98491672
   0.54637946  0.62251604  0.88077853
   0.71926535  0.80834752  0.55574787
   0.46462463  0.79983861  0.45185708
   0.87820149  0.23929930  0.06325529
   0.76910726  0.46992222  0.21784182
   0.33489634  0.10519326  0.62332533
   0.28976618  0.76120862  0.74684674
   0.17020048  1.10315244  0.17094711
   0.22456099  1.09231659  0.03437442
   0.60488597  0.36800551  0.80942045
   0.92659526  0.50415154  0.64385852
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992779    0.375069   -0.187512
    -0.000000    9.750012   -0.050168
    -0.000000    0.000000   13.943274
   Si   O    H 
    32    64    10
Direct configuration=  2336
   0.14896509  0.16973684 -0.03788446
   0.33568658  0.10826603  0.35906721
   0.12873593  0.42977503  0.09968586
   0.36692229  0.33658852  0.22771155
   0.07481009  0.13079635  0.48306792
   0.39129751  0.11745861  0.85541926
   0.11486254  0.39412071  0.61984333
   0.37900938  0.38820104  0.75007542
   0.13953746  0.69724373 -0.01337324
   0.41205437  0.56902634  0.35498759
   0.07862571  0.90363021  0.14044067
   0.34125137  0.82853600  0.24790171
   0.16625859  0.63451992  0.47912007
   0.38615302  0.63360801  0.85830532
   0.07272339  0.87838483  0.60751079
   0.35509125  0.97391997  0.67187173
   0.62172499  0.10888605  1.01015256
   0.84025205  0.10677629  0.34459626
   0.61094186  0.39381424  0.10772132
   0.89459638  0.28183069  0.16778530
   0.59742688  0.17701601  0.48637926
   0.86437111  0.08549332  0.88784671
   0.61443441  0.43986395  0.61170613
   0.76069724  0.36856876  0.79223870
   0.63224692  0.65014626 -0.01239728
   0.89895458  0.59425472  0.37011321
   0.56468105  0.88694943  0.12580471
   0.83099443  0.83005828  0.24138307
   0.63912576  0.65870396  0.45043511
   0.88640774  0.62208351  0.88144561
   0.62474606  0.91601356  0.60759725
   0.83512575  0.85404914  0.74764740
   0.07915894  0.07385519  0.15386732
   0.31644620  0.18358472  0.25524172
   0.12133590  0.32130348  0.00681391
   0.35081768  0.41427031  0.32776328
   0.50767808  0.33462063  0.18335778
   0.28614919  0.39783684  0.13541003
   0.20768944  0.08346036  0.42192543
  -0.03373695  0.16559339  0.40150657
   0.01253025  0.01808669  0.56041941
   0.43531632  0.25558416  0.79752953
   0.06460036  0.27224639  0.55018424
   0.33185031  0.47734628  0.84066201
   0.46378890  0.45792334  0.66751110
   0.23726666  0.34953108  0.69276656
   0.23029255  0.16710409 -0.13889797
  -0.00541901  0.11840349  0.95087005
   0.10974141  0.59156729  0.07426372
   0.38232047  0.66050751  0.25644227
   0.11841811  0.84640222  0.03152272
   0.36839891  0.94048400  0.32962368
   0.40181729  0.86484928  0.14642313
   0.17686389  0.82314025  0.22172205
   0.32907001  0.63146735  0.44893831
   0.05473616  0.61119358  0.39546785
   0.18055851  0.51971606  0.55946147
   0.36759885  0.72935628  0.76448062
   0.13159845  0.77251060  0.53126331
   0.40352281  0.98564455  0.78657790
   0.45868426  0.89167728  0.60398018
   0.19632733  0.92227120  0.67765163
   0.28808872  0.69491251 -0.05160751
   0.03574258  0.66633336  0.89867882
   0.60705439  0.04633843  0.12203801
   0.82854817  0.19634747  0.24722250
   0.63637728  0.27591877  0.02350051
   0.85909694  0.43426684  0.37116237
   0.02001249  0.39049706  0.18273580
   0.75552849  0.41292850  0.16458950
   0.70880495  0.14662920  0.40289377
   0.45851855  0.14654748  0.42987173
   0.64950218  0.07302709  0.57239343
   0.81588829  0.20589801  0.81158471
   0.59328394  0.32987224  0.52873429
   0.85644834  0.46537063  0.85078513
   0.99172402  0.46879865  0.68879769
   0.75308179  0.42136986  0.67740664
   0.74730562  0.04404284  0.95460748
   0.48258389  0.07724661  0.95337522
   0.58626456  0.54777587  0.06899148
   0.87177968  0.66091061  0.25991383
   0.59490550  0.80499369  0.02430674
   0.85188906  0.93731383  0.33183849
   0.91996694  0.86617445  0.15430574
   0.66517201  0.81576786  0.21640036
   0.80031218  0.68952834  0.43219566
   0.56800309  0.55150746  0.37571665
   0.63251634  0.58664818  0.55595213
   0.79929292  0.71968406  0.80668815
   0.56511697  0.80934533  0.43492522
   0.91162540  0.95642800  0.82718867
   0.95513132  0.80508676  0.67035155
   0.69266010  0.92400099  0.72181186
   0.79679637  0.63193138  0.98604754
   0.54520529  0.62132866  0.88146338
   0.72000107  0.80954239  0.56161560
   0.47243103  0.80400255  0.45415233
   0.87258738  0.23666045  0.06986661
   0.76753583  0.46978968  0.21512149
   0.33733523  0.10121827  0.62251745
   0.27467146  0.77018931  0.74220214
   0.17243928  1.10828055  0.17323066
   0.23096662  1.08905071  0.02803193
   0.61031298  0.36749659  0.80739266
   0.92302082  0.50720289  0.63896943
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.995146    0.372503   -0.186565
    -0.000000    9.750510   -0.052540
    -0.000000    0.000000   13.944794
   Si   O    H 
    32    64    10
Direct configuration=  2337
   0.14737427  0.17049526 -0.03911362
   0.33397094  0.10843956  0.35894571
   0.12929588  0.42982034  0.09990831
   0.36670867  0.33650521  0.22784681
   0.07419627  0.13069227  0.48304311
   0.39230640  0.11874254  0.85605602
   0.11385732  0.39445703  0.61983198
   0.37831609  0.38765455  0.75065449
   0.14082711  0.69690467 -0.01315888
   0.41016895  0.56829327  0.35505442
   0.07753159  0.90437923  0.13976383
   0.34031002  0.82597484  0.24817216
   0.16575389  0.63513545  0.47884551
   0.38623900  0.63318959  0.85936522
   0.07229099  0.87686302  0.60662678
   0.35527627  0.97272890  0.67179528
   0.62091290  0.10851837  1.00947501
   0.84042460  0.10664945  0.34492858
   0.61036807  0.39379341  0.10795059
   0.89449350  0.28278711  0.16846113
   0.59730126  0.17715417  0.48670318
   0.86459961  0.08527468  0.88819955
   0.61364439  0.43946624  0.61067288
   0.76058010  0.36843183  0.79270585
   0.63248864  0.65102025 -0.01269238
   0.89995517  0.59365569  0.37073529
   0.56349901  0.88740732  0.12521256
   0.83019935  0.82927602  0.24189724
   0.63937540  0.65860081  0.45048819
   0.88600321  0.62267532  0.88104526
   0.62512716  0.91727824  0.60679238
   0.83589576  0.85330704  0.74783048
   0.07898054  0.07155530  0.15398878
   0.31616364  0.18385507  0.25422973
   0.12072041  0.31926107  0.00636324
   0.35142992  0.41475826  0.32782740
   0.50722942  0.33428298  0.18439427
   0.28552174  0.39781209  0.13606807
   0.20624901  0.08367000  0.42140108
  -0.03329201  0.16364676  0.40104341
   0.01331134  0.01495494  0.56043764
   0.43728076  0.25499810  0.79779979
   0.06414993  0.27169904  0.55025408
   0.33146433  0.47793074  0.83943829
   0.46546140  0.45909192  0.66681014
   0.23731183  0.35084457  0.69185403
   0.23051006  0.16825045 -0.14037619
  -0.00556334  0.11713016  0.95158160
   0.11045739  0.59170387  0.07449697
   0.38167563  0.65746312  0.25583924
   0.11747830  0.84558559  0.03184122
   0.36925640  0.94126283  0.32974380
   0.39908752  0.86516948  0.14617410
   0.17534860  0.82192352  0.22140547
   0.32692674  0.63497533  0.44797877
   0.05600672  0.60973825  0.39669868
   0.18061483  0.52004054  0.55918553
   0.36698224  0.72857569  0.76403540
   0.13206232  0.77335970  0.53206917
   0.40305937  0.98591796  0.78623867
   0.45906849  0.89094499  0.60291420
   0.19512664  0.92261921  0.67824290
   0.28794870  0.69550641 -0.05120216
   0.03545484  0.66730677  0.89905532
   0.60679574  0.04531967  0.12132058
   0.82790662  0.19619096  0.24779236
   0.63568454  0.27648990  0.02316542
   0.85814532  0.43588705  0.37136350
   0.02003209  0.38710834  0.18109703
   0.75661339  0.41243650  0.16525392
   0.70858683  0.14581372  0.40231884
   0.45788680  0.14546221  0.42992824
   0.64892882  0.07233446  0.57214913
   0.81623956  0.20436780  0.81172484
   0.59327858  0.32956866  0.52754736
   0.85367434  0.46534792  0.85058397
   0.99098444  0.46964393  0.69001003
   0.75237108  0.42206363  0.67677031
   0.74639900  0.04427811  0.95363610
   0.48385318  0.07585456  0.95317960
   0.58372512  0.54729094  0.06928780
   0.87279994  0.66340613  0.25954997
   0.59320654  0.80533876  0.02435596
   0.85153663  0.93669274  0.33258360
   0.91867150  0.86799265  0.15507610
   0.66497448  0.81760789  0.21604489
   0.80033381  0.68930957  0.43162826
   0.56793094  0.55373087  0.37682125
   0.63295090  0.58801433  0.55656858
   0.79961290  0.71780096  0.80698312
   0.56525173  0.81048694  0.43445781
   0.91207925  0.95455088  0.82543578
   0.95496927  0.80420406  0.67090015
   0.69317131  0.92359558  0.72212468
   0.79863811  0.63062979  0.98670621
   0.54393052  0.62077143  0.88211475
   0.71454866  0.81566828  0.56942734
   0.48151247  0.80778217  0.45650556
   0.86757740  0.23328752  0.07231577
   0.77098141  0.48126349  0.22461022
   0.33739214  0.10594707  0.62020555
   0.26523324  0.77583242  0.74007792
   0.16684995  1.11294943  0.17632110
   0.23898385  1.08268724  0.02227143
   0.62017933  0.36732580  0.80717735
   0.92177253  0.50439808  0.64024777
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997245    0.369917   -0.185737
    -0.000000    9.750970   -0.054678
    -0.000000    0.000000   13.946373
   Si   O    H 
    32    64    10
Direct configuration=  2338
   0.14574427  0.17056037 -0.03998434
   0.33280501  0.10875347  0.35930222
   0.12932762  0.43005421  0.10011692
   0.36585548  0.33647120  0.22760310
   0.07373919  0.13051555  0.48344304
   0.39323562  0.12044821  0.85654805
   0.11320419  0.39562010  0.62006359
   0.37723776  0.38751723  0.75091883
   0.14172753  0.69652405 -0.01312391
   0.40843505  0.56755851  0.35510961
   0.07669421  0.90448777  0.13904241
   0.33875245  0.82424535  0.24817254
   0.16552434  0.63580148  0.47865826
   0.38580758  0.63284289  0.86038423
   0.07168847  0.87539792  0.60638269
   0.35531535  0.97204973  0.67208474
   0.62091419  0.10780671  1.00889137
   0.84054406  0.10666329  0.34494629
   0.61029352  0.39369272  0.10815556
   0.89433988  0.28337425  0.16867843
   0.59731101  0.17741724  0.48705460
   0.86474487  0.08503676  0.88806458
   0.61292915  0.43970253  0.60997791
   0.75978589  0.36840256  0.79311349
   0.63305130  0.65193120 -0.01297776
   0.90090968  0.59319189  0.37125050
   0.56207290  0.88721697  0.12494669
   0.82931727  0.82769982  0.24255817
   0.64023583  0.65889800  0.45038001
   0.88547162  0.62342083  0.88121351
   0.62572261  0.91857296  0.60630339
   0.83676842  0.85252610  0.74786495
   0.07914199  0.06933064  0.15430477
   0.31604314  0.18426135  0.25288545
   0.12079812  0.31753581  0.00651281
   0.35190981  0.41517495  0.32829326
   0.50736566  0.33428113  0.18471385
   0.28506405  0.39806335  0.13669760
   0.20596887  0.08472504  0.42091449
  -0.03296552  0.16113811  0.40017552
   0.01391350  0.01271030  0.55968990
   0.43922907  0.25389985  0.79835574
   0.06426728  0.27149876  0.55038145
   0.33097800  0.47934933  0.83836669
   0.46839313  0.45991460  0.66620214
   0.23735309  0.35164865  0.69126541
   0.23049775  0.16903039 -0.14138825
  -0.00487233  0.11659225  0.95217169
   0.11176781  0.59127100  0.07434977
   0.38095405  0.65521089  0.25565377
   0.11666335  0.84520207  0.03261707
   0.36936943  0.94224041  0.32972852
   0.39717128  0.86634327  0.14585803
   0.17442332  0.82196754  0.22088807
   0.32533380  0.63852406  0.44693386
   0.05801448  0.60895865  0.39782491
   0.18019629  0.51973090  0.55829517
   0.36536531  0.72819088  0.76340347
   0.13276433  0.77462404  0.53287351
   0.40273928  0.98616335  0.78622114
   0.46034916  0.89011730  0.60157367
   0.19438124  0.92281871  0.67862681
   0.28842607  0.69578342 -0.05136557
   0.03520732  0.66808745  0.89938565
   0.60668547  0.04432468  0.12065303
   0.82697764  0.19596859  0.24919884
   0.63496116  0.27655034  0.02271464
   0.85709457  0.43783388  0.37151678
   0.02015088  0.38390898  0.17957346
   0.75745875  0.41239828  0.16639286
   0.70774476  0.14591872  0.40183241
   0.45742958  0.14437155  0.42936732
   0.64758792  0.07186267  0.57156717
   0.81543317  0.20397692  0.81163990
   0.59326592  0.32890571  0.52657215
   0.85196860  0.46548846  0.85082607
   0.99113717  0.47029032  0.69062987
   0.75200274  0.42289801  0.67587041
   0.74499150  0.04421674  0.95321903
   0.48434145  0.07498771  0.95290299
   0.58139801  0.54626811  0.06932625
   0.87441912  0.66621649  0.25958328
   0.59236192  0.80647963  0.02478608
   0.85155671  0.93555506  0.33282907
   0.91750842  0.86934175  0.15552166
   0.66442251  0.81984832  0.21588021
   0.80027884  0.68900845  0.43200473
   0.56779454  0.55601332  0.37761467
   0.63284743  0.59040560  0.55747474
   0.80067128  0.71669426  0.80749248
   0.56613387  0.81120594  0.43369526
   0.91296680  0.95367212  0.82386553
   0.95456853  0.80331646  0.67083656
   0.69371685  0.92430306  0.72273016
   0.79939941  0.62972690  0.98689587
   0.54431426  0.62025648  0.88329478
   0.71321724  0.81873206  0.57352407
   0.47373329  0.80943452  0.46057908
   0.86624121  0.23275211  0.07388216
   0.77365845  0.48311348  0.22769874
   0.33712720  0.11028244  0.61833453
   0.26808618  0.77503227  0.74135606
   0.16048466  1.11538414  0.17730076
   0.24503822  1.07811292  0.01625511
   0.62759518  0.36382114  0.81013746
   0.92538637  0.49879191  0.64400416
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.998886    0.367389   -0.184786
    -0.000000    9.751558   -0.057072
    -0.000000    0.000000   13.947436
   Si   O    H 
    32    64    10
Direct configuration=  2339
   0.14406556  0.17028728 -0.04082074
   0.33232595  0.10876947  0.35956191
   0.12928769  0.42962262  0.10032360
   0.36490216  0.33608284  0.22763527
   0.07313353  0.12989314  0.48396525
   0.39339640  0.12202313  0.85670622
   0.11238285  0.39703419  0.62054940
   0.37609868  0.38715900  0.75075809
   0.14251176  0.69615857 -0.01319315
   0.40715434  0.56689674  0.35468195
   0.07628948  0.90399209  0.13827151
   0.33776221  0.82234024  0.24743175
   0.16572495  0.63613368  0.47825306
   0.38507025  0.63322132  0.86100966
   0.07079099  0.87455703  0.60613948
   0.35523408  0.97232484  0.67227348
   0.62068271  0.10746663  1.00785110
   0.84070864  0.10594393  0.34491862
   0.61023662  0.39366389  0.10831021
   0.89336006  0.28396637  0.16906453
   0.59791818  0.17729066  0.48703700
   0.86551028  0.08465487  0.88753911
   0.61223036  0.44065503  0.60978520
   0.75903010  0.36795272  0.79310101
   0.63378973  0.65244148 -0.01355383
   0.90125755  0.59308097  0.37141472
   0.56068384  0.88621075  0.12473070
   0.82825547  0.82625931  0.24321269
   0.64063544  0.65916237  0.45033595
   0.88458307  0.62379239  0.88173358
   0.62631162  0.91955449  0.60574143
   0.83775858  0.85197510  0.74768380
   0.08002371  0.06751998  0.15443060
   0.31594705  0.18473250  0.25101139
   0.12099637  0.31602603  0.00740296
   0.35327387  0.41561231  0.32903207
   0.50839277  0.33403046  0.18520527
   0.28447269  0.39755788  0.13730482
   0.20473940  0.08574224  0.42108718
  -0.03236338  0.15907370  0.39972678
   0.01544456  0.01092969  0.55917803
   0.44145257  0.25262409  0.79933083
   0.06524214  0.27110778  0.55022505
   0.32996656  0.48148370  0.83790489
   0.47105852  0.46027742  0.66626835
   0.23691924  0.35137079  0.69110051
   0.23075652  0.16905431 -0.14148772
  -0.00528132  0.11613630  0.95189474
   0.11343134  0.59040479  0.07427791
   0.37975944  0.65382088  0.25574022
   0.11579614  0.84584278  0.03335698
   0.36995703  0.94271614  0.32965386
   0.39560219  0.86807159  0.14490173
   0.17407301  0.82294294  0.22048738
   0.32360946  0.64232855  0.44553706
   0.06021261  0.60780183  0.39810980
   0.17963675  0.51855525  0.55825368
   0.36349328  0.72800815  0.76233379
   0.13377630  0.77582788  0.53333017
   0.40253756  0.98607090  0.78536243
   0.46156570  0.88844511  0.60103390
   0.19451764  0.92217987  0.67882254
   0.28957700  0.69556015 -0.05162914
   0.03467648  0.66900908  0.89980130
   0.60612903  0.04380578  0.11928224
   0.82669608  0.19439982  0.25060563
   0.63359654  0.27591283  0.02186618
   0.85633402  0.43939472  0.37129683
   0.01942190  0.38084488  0.17759425
   0.75824384  0.41294704  0.16736461
   0.70606922  0.14646138  0.40146347
   0.45753041  0.14325052  0.42899759
   0.64624218  0.07066716  0.57028435
   0.81449186  0.20374826  0.81190632
   0.59333474  0.32768770  0.52611806
   0.85053964  0.46622909  0.85068750
   0.99319953  0.46996261  0.69124039
   0.75086542  0.42298021  0.67515996
   0.74356594  0.04459210  0.95280280
   0.48480069  0.07454604  0.95277652
   0.57852870  0.54532007  0.06904050
   0.87584073  0.66839026  0.25995186
   0.59193052  0.80637467  0.02511346
   0.85183379  0.93506790  0.33247056
   0.91722106  0.87048868  0.15548918
   0.66390839  0.82216220  0.21526361
   0.80083177  0.68898477  0.43276883
   0.56738118  0.55873476  0.37818292
   0.63322940  0.59268530  0.55838405
   0.80215433  0.71575762  0.80801515
   0.56631247  0.81134692  0.43345257
   0.91412275  0.95278521  0.82303785
   0.95395857  0.80291785  0.67054129
   0.69449860  0.92478107  0.72299448
   0.79996977  0.62890709  0.98661782
   0.54540791  0.62003530  0.88363474
   0.72009195  0.81582890  0.57308901
   0.46942336  0.80950743  0.46353291
   0.86478255  0.23048563  0.07538652
   0.77306015  0.47869623  0.22516778
   0.33577716  0.11283258  0.61979650
   0.28069676  0.76764900  0.74432770
   0.15680953  1.11835689  0.17688315
   0.24842327  1.07613104  0.00980334
   0.62264114  0.36121980  0.81509975
   0.92764877  0.49714031  0.64730750
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.000540    0.363970   -0.183798
    -0.000000    9.752229   -0.059341
    -0.000000    0.000000   13.948797
   Si   O    H 
    32    64    10
Direct configuration=  2340
   0.14269509  0.16956062 -0.04148047
   0.33229649  0.10882522  0.36004775
   0.12923471  0.42856028  0.10057366
   0.36391679  0.33599498  0.22757839
   0.07166820  0.12908624  0.48454314
   0.39297898  0.12345010  0.85680081
   0.11233949  0.39881078  0.62139028
   0.37467067  0.38736574  0.75040901
   0.14280076  0.69562638 -0.01341459
   0.40640169  0.56571819  0.35423285
   0.07597360  0.90348404  0.13771462
   0.33656404  0.82091327  0.24676539
   0.16622823  0.63677595  0.47787695
   0.38513749  0.63436466  0.86148648
   0.07042795  0.87334232  0.60649621
   0.35530266  0.97283434  0.67235486
   0.62063905  0.10718838  1.00746203
   0.84011903  0.10502297  0.34524923
   0.61019397  0.39358606  0.10872299
   0.89293078  0.28452098  0.16955559
   0.59911079  0.17748715  0.48653851
   0.86656802  0.08457319  0.88693804
   0.61219057  0.44154189  0.60983172
   0.75885697  0.36699562  0.79299048
   0.63499607  0.65221103 -0.01391146
   0.90115764  0.59280674  0.37149838
   0.55915678  0.88495458  0.12466714
   0.82759638  0.82490241  0.24410921
   0.64100895  0.65952207  0.45069872
   0.88317263  0.62427423  0.88232343
   0.62667969  0.92067350  0.60544789
   0.83947066  0.85210568  0.74772715
   0.08002410  0.06639462  0.15440305
   0.31545612  0.18438074  0.24994006
   0.12089556  0.31600068  0.00949032
   0.35488291  0.41647697  0.32963532
   0.51040465  0.33354391  0.18580358
   0.28309095  0.39705321  0.13795879
   0.20291398  0.08749316  0.42125028
  -0.03169246  0.15745656  0.39927831
   0.01631796  0.00989143  0.55892592
   0.44402537  0.25095534  0.80039767
   0.06687223  0.27022122  0.54951269
   0.32987670  0.48380836  0.83742921
   0.47290937  0.46023237  0.66626903
   0.23664506  0.35098634  0.69073054
   0.23153040  0.16918403 -0.14145286
  -0.00593575  0.11530675  0.95176335
   0.11447944  0.59021660  0.07417561
   0.37840681  0.65330323  0.25580004
   0.11501702  0.84661608  0.03423660
   0.36989956  0.94324408  0.32905163
   0.39494669  0.86936147  0.14391329
   0.17380382  0.82497781  0.22026455
   0.32225657  0.64567017  0.44444489
   0.06193456  0.60706451  0.39836050
   0.17892831  0.51800308  0.55855269
   0.36239106  0.72654246  0.76199816
   0.13535544  0.77722108  0.53351745
   0.40251178  0.98637110  0.78438906
   0.46251110  0.88764765  0.60048121
   0.19448098  0.92217409  0.67901785
   0.29094544  0.69499957 -0.05203806
   0.03409145  0.66963876  0.90076156
   0.60539748  0.04370309  0.11799758
   0.82603044  0.19368834  0.25191356
   0.63226754  0.27402950  0.02103304
   0.85550991  0.44114522  0.37075451
   0.01912823  0.37773372  0.17609371
   0.75887324  0.41418637  0.16808765
   0.70450395  0.14784689  0.40109239
   0.45785148  0.14239393  0.42906311
   0.64512008  0.06976666  0.56979597
   0.81374326  0.20433213  0.81226044
   0.59369465  0.32778795  0.52546180
   0.85023072  0.46785700  0.85110429
   0.99727335  0.46915532  0.69220721
   0.74954929  0.42276119  0.67438796
   0.74276388  0.04464400  0.95220742
   0.48445817  0.07462784  0.95289641
   0.57588003  0.54533844  0.06856113
   0.87750403  0.67030915  0.26057140
   0.59082583  0.80644471  0.02488561
   0.85127284  0.93499009  0.33290667
   0.91656479  0.87221011  0.15510939
   0.66269404  0.82433828  0.21445156
   0.80046647  0.68924059  0.43359339
   0.56584097  0.56114424  0.37913331
   0.63336415  0.59482432  0.55996941
   0.80347411  0.71457148  0.80783629
   0.56600296  0.81151117  0.43348208
   0.91526908  0.95185641  0.82185778
   0.95275624  0.80188898  0.67016340
   0.69467499  0.92480502  0.72274045
   0.80026139  0.62926753  0.98575399
   0.54672244  0.62030159  0.88410898
   0.72677728  0.81295504  0.57261833
   0.47465170  0.80723158  0.45991748
   0.86279006  0.22952191  0.07449430
   0.76700460  0.46684756  0.21906195
   0.33545175  0.11244243  0.62139923
   0.28065224  0.76721888  0.74635617
   0.15593251  1.12049242  0.17683011
   0.24710342  1.07508914  0.00509117
   0.61423689  0.36018385  0.82126441
   0.91931149  0.50119385  0.64543770
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.002021    0.360108   -0.182764
    -0.000000    9.753257   -0.061080
    -0.000000    0.000000   13.949871
   Si   O    H 
    32    64    10
Direct configuration=  2341
   0.14150846  0.16954817 -0.04161772
   0.33303645  0.10852660  0.36069949
   0.12966446  0.42760358  0.10060837
   0.36329149  0.33588378  0.22726140
   0.07033227  0.12776853  0.48542302
   0.39305923  0.12451170  0.85666455
   0.11221308  0.39995410  0.62237068
   0.37344515  0.38725734  0.74966454
   0.14259866  0.69561486 -0.01370810
   0.40573275  0.56550263  0.35364332
   0.07553350  0.90284023  0.13737746
   0.33515322  0.81985470  0.24599331
   0.16673206  0.63770702  0.47760568
   0.38424706  0.63515403  0.86173551
   0.06977536  0.87247306  0.60720213
   0.35516080  0.97319838  0.67195561
   0.62058182  0.10686520  1.00765361
   0.83901263  0.10404071  0.34573767
   0.61014944  0.39365139  0.10900034
   0.89192498  0.28428100  0.16990163
   0.59985471  0.17769224  0.48592561
   0.86719498  0.08402188  0.88607294
   0.61236458  0.44226599  0.60995386
   0.75794795  0.36632125  0.79259451
   0.63629289  0.65204974 -0.01420889
   0.90120502  0.59245154  0.37169640
   0.55815147  0.88348222  0.12445412
   0.82629752  0.82397944  0.24436367
   0.64162440  0.66028653  0.45103518
   0.88166675  0.62401064  0.88257807
   0.62697548  0.92088592  0.60556505
   0.84141275  0.85205784  0.74824302
   0.08044851  0.06575198  0.15447765
   0.31470615  0.18347616  0.24932896
   0.11988554  0.31620196  0.01116777
   0.35713534  0.41704544  0.33008798
   0.51225643  0.33342933  0.18587027
   0.28056520  0.39594379  0.13881249
   0.20126752  0.08830649  0.42147494
  -0.03129429  0.15599021  0.39906781
   0.01651518  0.00851574  0.55816425
   0.44639826  0.24917060  0.80098872
   0.06751395  0.27025375  0.54864931
   0.33019715  0.48506836  0.83702488
   0.47333509  0.45962025  0.66707477
   0.23718093  0.35096290  0.69080982
   0.23295497  0.16999146 -0.14154726
  -0.00603355  0.11455552  0.95177323
   0.11542043  0.58929966  0.07390306
   0.37757782  0.65338469  0.25593283
   0.11446831  0.84742572  0.03500446
   0.36902269  0.94375226  0.32814831
   0.39522534  0.87036527  0.14290126
   0.17268180  0.82673709  0.21976833
   0.32140906  0.64826042  0.44319933
   0.06183164  0.60798514  0.39844217
   0.17720470  0.51747682  0.55974979
   0.36177777  0.72438470  0.76185229
   0.13767655  0.77843972  0.53370986
   0.40241369  0.98650229  0.78351683
   0.46199128  0.88711143  0.60007055
   0.19536382  0.92211049  0.67917253
   0.29170650  0.69465573 -0.05246006
   0.03359716  0.66984362  0.90173158
   0.60365559  0.04347231  0.11698903
   0.82574588  0.19341159  0.25243933
   0.63108856  0.27244408  0.02096149
   0.85557193  0.44188937  0.37008349
   0.01863731  0.37463821  0.17469143
   0.75870227  0.41482680  0.16778275
   0.70258654  0.14964677  0.40024186
   0.45804850  0.14175297  0.42942637
   0.64338308  0.06985642  0.56907762
   0.81266089  0.20532180  0.81306910
   0.59377167  0.32794213  0.52528960
   0.85016727  0.46917267  0.85154396
   1.00047777  0.46847671  0.69263408
   0.74731619  0.42238772  0.67347583
   0.74187649  0.04489352  0.95187071
   0.48364830  0.07543129  0.95187183
   0.57348449  0.54489778  0.06823220
   0.87949105  0.67196121  0.26137283
   0.59002585  0.80618968  0.02477134
   0.84983013  0.93563099  0.33322653
   0.91626527  0.87423723  0.15444686
   0.66218618  0.82603845  0.21341677
   0.80054424  0.68924635  0.43501949
   0.56431994  0.56285756  0.38032971
   0.63358913  0.59682551  0.56112549
   0.80502495  0.71411114  0.80759482
   0.56643008  0.81060902  0.43376044
   0.91702575  0.95143441  0.82052811
   0.95149440  0.80185034  0.66994721
   0.69417475  0.92454514  0.72158362
   0.80104446  0.62993225  0.98517938
   0.54794177  0.62097912  0.88525793
   0.72951883  0.81223606  0.57163869
   0.48039309  0.80388316  0.45472503
   0.86197893  0.22753023  0.07197773
   0.76332706  0.47352349  0.22804056
   0.33881352  0.10867073  0.62268615
   0.26778786  0.77201394  0.74562970
   0.15583627  1.11828539  0.17692146
   0.24281539  1.07643746  0.00358039
   0.61027427  0.36131532  0.82640005
   0.91557596  0.50259369  0.64543095
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.003292    0.356634   -0.181809
    -0.000000    9.753375   -0.062904
    -0.000000    0.000000   13.951021
   Si   O    H 
    32    64    10
Direct configuration=  2342
   0.14082123  0.16980055 -0.04160130
   0.33375642  0.10773738  0.36138746
   0.12966965  0.42649804  0.10024823
   0.36304637  0.33580936  0.22717545
   0.06910107  0.12598710  0.48610345
   0.39337952  0.12490987  0.85674749
   0.11216452  0.40061482  0.62308703
   0.37134954  0.38767742  0.74852492
   0.14205856  0.69588953 -0.01433099
   0.40544155  0.56528203  0.35320103
   0.07480350  0.90276868  0.13765341
   0.33350656  0.81893130  0.24529248
   0.16762746  0.63846784  0.47773394
   0.38385619  0.63597428  0.86199080
   0.06915761  0.87160376  0.60860105
   0.35505770  0.97371983  0.67156037
   0.62036262  0.10680825  1.00799527
   0.83798800  0.10216399  0.34587333
   0.61014651  0.39379490  0.10905198
   0.89066961  0.28442681  0.17041422
   0.60054469  0.17758128  0.48506734
   0.86773709  0.08322368  0.88510675
   0.61183364  0.44318311  0.60993743
   0.75717861  0.36599434  0.79203565
   0.63713905  0.65207634 -0.01456804
   0.90102542  0.59245108  0.37146910
   0.55676194  0.88208660  0.12390221
   0.82549895  0.82329371  0.24492994
   0.64230314  0.66148739  0.45195702
   0.88064060  0.62286376  0.88316459
   0.62717966  0.92030466  0.60589073
   0.84267471  0.85193988  0.74837737
   0.08044940  0.06536847  0.15449165
   0.31339151  0.18213567  0.24877892
   0.11869997  0.31688533  0.01271128
   0.35843351  0.41701562  0.32981355
   0.51431732  0.33354068  0.18618520
   0.27787314  0.39523219  0.13987866
   0.19965020  0.08863987  0.42155996
  -0.03025978  0.15407100  0.39804050
   0.01658678  0.00789928  0.55740961
   0.44791074  0.24679835  0.80128470
   0.06766724  0.27026178  0.54794763
   0.33045603  0.48569484  0.83673720
   0.47307760  0.45800087  0.66832880
   0.23740682  0.35115719  0.69069377
   0.23417164  0.17084850 -0.14167453
  -0.00584050  0.11421793  0.95179702
   0.11610086  0.58867312  0.07402664
   0.37736371  0.65395720  0.25589216
   0.11292506  0.84778608  0.03522071
   0.36782320  0.94379156  0.32782267
   0.39591761  0.87106726  0.14209061
   0.17155899  0.82793176  0.21956124
   0.32054045  0.65034546  0.44257252
   0.05953335  0.60924566  0.39867474
   0.17569141  0.51734606  0.56143099
   0.36133430  0.72142508  0.76157352
   0.13996447  0.77887891  0.53329189
   0.40271863  0.98707326  0.78236749
   0.46113681  0.88688370  0.59971898
   0.19687958  0.92150289  0.67946094
   0.29269557  0.69365305 -0.05287091
   0.03266683  0.67075752  0.90283404
   0.60192269  0.04321437  0.11585598
   0.82508086  0.19320944  0.25240027
   0.63061362  0.27134263  0.02111703
   0.85580343  0.44332383  0.36908199
   0.01856160  0.37166443  0.17422667
   0.75900948  0.41572913  0.16780155
   0.70119751  0.15147178  0.39940916
   0.45858916  0.14129286  0.42961180
   0.64196238  0.07081425  0.56843649
   0.81196343  0.20638684  0.81396770
   0.59338903  0.32898335  0.52550789
   0.84986246  0.47122103  0.85189218
   1.00197201  0.46855793  0.69288658
   0.74460634  0.42231615  0.67272910
   0.74130951  0.04497041  0.95167697
   0.48264849  0.07604761  0.95139756
   0.57077234  0.54444568  0.06764216
   0.88109007  0.67242134  0.26280634
   0.58888771  0.80466651  0.02425338
   0.84887263  0.93620555  0.33371681
   0.91596228  0.87495446  0.15408964
   0.66178035  0.82757034  0.21224820
   0.80037074  0.68909666  0.43689291
   0.56290923  0.56395959  0.38089864
   0.63378064  0.59854097  0.56241841
   0.80622613  0.71392853  0.80696912
   0.56736556  0.80993663  0.43376159
   0.91866190  0.95101882  0.81926991
   0.95029763  0.80234097  0.66974324
   0.69314302  0.92388476  0.72057260
   0.80102577  0.63098085  0.98433935
   0.54858220  0.62209224  0.88655488
   0.72964278  0.81455591  0.56895098
   0.47034370  0.80190113  0.45223085
   0.86182429  0.22766438  0.07282444
   0.75956430  0.47593634  0.23416564
   0.34378675  0.10323337  0.62330752
   0.26088974  0.76953529  0.74793374
   0.15875793  1.11516702  0.17661053
   0.23764569  1.07767930  0.00345963
   0.61524060  0.36419919  0.82850959
   0.91718139  0.49717804  0.65375989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.004641    0.352546   -0.180884
    -0.000000    9.752991   -0.065316
    -0.000000    0.000000   13.952594
   Si   O    H 
    32    64    10
Direct configuration=  2343
   0.14108134  0.16989025 -0.04141418
   0.33441650  0.10590066  0.36195103
   0.12884061  0.42557676  0.09987663
   0.36292511  0.33596495  0.22723939
   0.06811962  0.12474411  0.48683463
   0.39418785  0.12451880  0.85723850
   0.11210829  0.40143329  0.62338159
   0.36956963  0.38751285  0.74739882
   0.14114671  0.69616509 -0.01465952
   0.40475863  0.56565168  0.35298915
   0.07390626  0.90239345  0.13782212
   0.33167874  0.81806631  0.24469308
   0.16813155  0.63917303  0.47819918
   0.38326436  0.63648723  0.86230788
   0.06876997  0.87131132  0.60974546
   0.35393225  0.97348762  0.67144101
   0.62044116  0.10684261  1.00894534
   0.83750610  0.10011862  0.34646066
   0.61028373  0.39304880  0.10891106
   0.88977359  0.28498633  0.17092723
   0.60074876  0.17768119  0.48430516
   0.86837591  0.08234396  0.88405256
   0.61104971  0.44400390  0.60971804
   0.75621115  0.36631163  0.79170692
   0.63805929  0.65230276 -0.01455187
   0.90102981  0.59269083  0.37140462
   0.55544690  0.88090389  0.12366099
   0.82468164  0.82259520  0.24536498
   0.64278961  0.66225170  0.45310311
   0.87977276  0.62163425  0.88394578
   0.62788851  0.92010272  0.60637973
   0.84370244  0.85243165  0.74877971
   0.08034113  0.06469008  0.15388982
   0.31244364  0.18069571  0.24872645
   0.11761491  0.31687362  0.01406673
   0.35926806  0.41734532  0.32956991
   0.51583443  0.33367582  0.18676829
   0.27575594  0.39451399  0.14153196
   0.19869308  0.08893879  0.42127753
  -0.02975352  0.15159531  0.39761561
   0.01645690  0.00778834  0.55609677
   0.44882504  0.24635624  0.80174633
   0.06756703  0.27027885  0.54705742
   0.33053261  0.48641598  0.83602084
   0.47278964  0.45630386  0.66957826
   0.23763542  0.35042411  0.69114845
   0.23523377  0.17114043 -0.14167286
  -0.00564884  0.11369967  0.95278441
   0.11613603  0.58802365  0.07351355
   0.37681444  0.65441973  0.25620028
   0.11260974  0.84816073  0.03558973
   0.36597346  0.94379319  0.32739238
   0.39651573  0.87136693  0.14172103
   0.17057697  0.82824717  0.21955766
   0.31971867  0.65151673  0.44156772
   0.05728167  0.61009965  0.39892648
   0.17373677  0.51618489  0.56249135
   0.35904760  0.71893670  0.76145530
   0.14196588  0.77991052  0.53280401
   0.40282662  0.98744024  0.78142479
   0.46010696  0.88695551  0.59909662
   0.19819996  0.92113170  0.67935175
   0.29359598  0.69305754 -0.05295092
   0.03218039  0.67092779  0.90405116
   0.60038069  0.04299201  0.11509857
   0.82432280  0.19286487  0.25259647
   0.62998317  0.27164312  0.02159708
   0.85557434  0.44449817  0.36850691
   0.01826076  0.36929188  0.17419193
   0.75995586  0.41637034  0.16815122
   0.70105079  0.15359742  0.39844219
   0.45927069  0.14106694  0.42969094
   0.64035616  0.07217579  0.56800321
   0.81191560  0.20728625  0.81496606
   0.59346650  0.33027459  0.52632907
   0.84947509  0.47268628  0.85225699
   1.00342571  0.46852400  0.69297968
   0.74180489  0.42253085  0.67212270
   0.74088416  0.04523087  0.95049453
   0.48180913  0.07674332  0.95085333
   0.56850159  0.54413847  0.06674276
   0.88265410  0.67261074  0.26440027
   0.58748894  0.80273409  0.02388783
   0.84703142  0.93661262  0.33448996
   0.91560936  0.87498790  0.15369034
   0.66157036  0.82903694  0.21157429
   0.80041465  0.68817170  0.43865191
   0.56155834  0.56462103  0.38091302
   0.63339922  0.59947381  0.56342342
   0.80715571  0.71391887  0.80593496
   0.56785105  0.81019376  0.43412495
   0.92044140  0.95147431  0.81828555
   0.95019432  0.80286774  0.66896639
   0.69205789  0.92461245  0.71971499
   0.79979362  0.63135401  0.98408225
   0.54934161  0.62227346  0.88782610
   0.72830257  0.81957626  0.56350717
   0.46792321  0.80134510  0.44764376
   0.86494131  0.23211320  0.07624056
   0.75548352  0.47350598  0.23536352
   0.34444311  0.10402044  0.62338099
   0.26842782  0.76275400  0.75040545
   0.15911200  1.11127199  0.17521393
   0.22894437  1.07720967  0.00545452
   0.62375740  0.36754238  0.83034656
   0.92530652  0.49131204  0.66216969
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.005774    0.348088   -0.179519
    -0.000000    9.752671   -0.067699
    -0.000000    0.000000   13.954094
   Si   O    H 
    32    64    10
Direct configuration=  2344
   0.14141562  0.17066644 -0.04126474
   0.33494254  0.10359839  0.36226912
   0.12765266  0.42495624  0.09974824
   0.36313844  0.33608153  0.22696050
   0.06712183  0.12379135  0.48734645
   0.39472718  0.12376908  0.85755047
   0.11197260  0.40140666  0.62326998
   0.36822525  0.38716333  0.74685144
   0.14078814  0.69678787 -0.01498194
   0.40462762  0.56602558  0.35250179
   0.07282940  0.90200085  0.13795010
   0.33018745  0.81804215  0.24390854
   0.16939950  0.64019659  0.47861993
   0.38311142  0.63703397  0.86241587
   0.06843983  0.87166552  0.61107254
   0.35364122  0.97257249  0.67077200
   0.62109507  0.10707141  1.00978711
   0.83719154  0.09879702  0.34740708
   0.61072373  0.39164556  0.10842972
   0.88777507  0.28562182  0.17136991
   0.60087203  0.17778369  0.48295634
   0.86887482  0.08154613  0.88260048
   0.61071358  0.44521004  0.60931331
   0.75554484  0.36637099  0.79144790
   0.63878565  0.65258501 -0.01444955
   0.90132504  0.59286946  0.37148614
   0.55462579  0.88021462  0.12365617
   0.82383363  0.82185403  0.24562586
   0.64361094  0.66229223  0.45442288
   0.87919752  0.62105310  0.88443371
   0.62765300  0.92009562  0.60700673
   0.84401258  0.85276139  0.74886820
   0.07956472  0.06464189  0.15350432
   0.31113131  0.17893842  0.24953247
   0.11662468  0.31667859  0.01474034
   0.36063411  0.41681260  0.32916430
   0.51761737  0.33339526  0.18725629
   0.27339043  0.39397135  0.14342263
   0.19824615  0.08902885  0.42133138
  -0.03008068  0.14887341  0.39694979
   0.01588019  0.00803729  0.55512763
   0.44927214  0.24715526  0.80118814
   0.06771185  0.26959040  0.54618705
   0.33089132  0.48647376  0.83538234
   0.47238175  0.45383053  0.67157175
   0.23742792  0.34866603  0.69147225
   0.23463319  0.17142678 -0.14132035
  -0.00586067  0.11396753  0.95357185
   0.11747463  0.58750000  0.07273288
   0.37548972  0.65474606  0.25674428
   0.11269123  0.84833644  0.03589906
   0.36385815  0.94304498  0.32676888
   0.39665675  0.87042617  0.14191452
   0.17056786  0.82846923  0.21920355
   0.31918899  0.65189952  0.43989411
   0.05492454  0.61139341  0.39937275
   0.17275635  0.51638754  0.56290224
   0.35695505  0.71619261  0.76165712
   0.14405152  0.78106021  0.53218320
   0.40340319  0.98840391  0.78092508
   0.45851730  0.88698344  0.59878600
   0.19889027  0.92063811  0.67923442
   0.29432818  0.69284585 -0.05296041
   0.03195765  0.67152748  0.90518955
   0.59796697  0.04258095  0.11490138
   0.82352238  0.19269649  0.25243243
   0.62976697  0.27320488  0.02175613
   0.85497785  0.44485821  0.36827543
   0.01841377  0.36760875  0.17440683
   0.76037106  0.41685566  0.16901881
   0.70134518  0.15538621  0.39754299
   0.45864136  0.14090488  0.42975613
   0.63819653  0.07376469  0.56729400
   0.81277186  0.20708484  0.81584940
   0.59343659  0.33136283  0.52735014
   0.84913340  0.47294649  0.85270800
   1.00555493  0.46861910  0.69325359
   0.73975609  0.42259579  0.67197321
   0.74154038  0.04500914  0.94983911
   0.48154024  0.07789677  0.95036213
   0.56707035  0.54491377  0.06667894
   0.88401116  0.67311867  0.26622167
   0.58587632  0.80011161  0.02398604
   0.84557002  0.93636279  0.33453131
   0.91449099  0.87486289  0.15343783
   0.66190970  0.83036155  0.21158102
   0.80064270  0.68714547  0.43965750
   0.56027958  0.56488050  0.38051151
   0.63261421  0.60050920  0.56453500
   0.80795506  0.71307630  0.80467846
   0.56779573  0.81018689  0.43416344
   0.92275956  0.95229179  0.81808345
   0.94967325  0.80331807  0.66839334
   0.69091884  0.92568300  0.71909787
   0.79820231  0.63123193  0.98403370
   0.54976933  0.62254428  0.88900376
   0.72077446  0.82543496  0.55751184
   0.47257567  0.80466579  0.44154199
   0.87125487  0.23492247  0.07972562
   0.75455279  0.46608119  0.23159434
   0.34505047  0.11056923  0.62241104
   0.27757867  0.75518513  0.75229452
   0.16160542  1.10647675  0.17395766
   0.22741724  1.07071425  0.00946323
   0.62892233  0.37132257  0.83097348
   0.91861157  0.49106820  0.66522578
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.006735    0.343389   -0.178428
    -0.000000    9.752519   -0.070038
    -0.000000    0.000000   13.955368
   Si   O    H 
    32    64    10
Direct configuration=  2345
   0.14171348  0.17150798 -0.04111068
   0.33528321  0.10070656  0.36247099
   0.12634014  0.42486341  0.09993931
   0.36395408  0.33655850  0.22713978
   0.06663115  0.12293646  0.48768237
   0.39489426  0.12249325  0.85783457
   0.11235201  0.40111383  0.62360110
   0.36744468  0.38658579  0.74655042
   0.14094459  0.69760442 -0.01515774
   0.40451003  0.56689868  0.35246767
   0.07170476  0.90092791  0.13782822
   0.32886448  0.81878768  0.24341252
   0.17046041  0.64061468  0.47939687
   0.38306932  0.63789287  0.86272614
   0.06797399  0.87242618  0.61191939
   0.35357446  0.97203487  0.67006340
   0.62140991  0.10739038  1.01015451
   0.83688302  0.09766414  0.34803487
   0.61131838  0.39003432  0.10779854
   0.88584178  0.28589498  0.17187917
   0.60033296  0.17793264  0.48170542
   0.86943374  0.08032872  0.88114044
   0.61035339  0.44678338  0.60883750
   0.75559091  0.36604785  0.79166334
   0.63896774  0.65276562 -0.01421536
   0.90147128  0.59317836  0.37090773
   0.55392803  0.88006375  0.12395899
   0.82283524  0.82174534  0.24578710
   0.64451537  0.66284831  0.45581355
   0.87963759  0.62148633  0.88526248
   0.62766168  0.92033268  0.60783946
   0.84346459  0.85329966  0.74896828
   0.07889027  0.06493583  0.15306883
   0.31017750  0.17789113  0.25023101
   0.11593547  0.31672610  0.01513588
   0.36194949  0.41616217  0.32868797
   0.51910526  0.33385211  0.18782655
   0.27187319  0.39311305  0.14495490
   0.19787458  0.08935143  0.42083193
  -0.03048407  0.14676039  0.39658078
   0.01517559  0.00851229  0.55464066
   0.44983578  0.24948467  0.80060428
   0.06709371  0.26948213  0.54468321
   0.33166888  0.48658977  0.83427383
   0.47206301  0.45082961  0.67341244
   0.23837138  0.34754169  0.69143068
   0.23278302  0.17188322 -0.14071991
  -0.00571323  0.11416588  0.95370029
   0.11877545  0.58675705  0.07275437
   0.37403574  0.65582613  0.25668624
   0.11217889  0.84868723  0.03537481
   0.36095665  0.94204439  0.32599189
   0.39748374  0.86920163  0.14170135
   0.17084592  0.82818549  0.21929594
   0.31897338  0.65142113  0.43883885
   0.05254808  0.61387322  0.40021251
   0.17250931  0.51727791  0.56271502
   0.35601933  0.71421839  0.76189474
   0.14548278  0.78253039  0.53141977
   0.40351446  0.98835622  0.78123971
   0.45704664  0.88632935  0.59855090
   0.19928355  0.92004837  0.67926722
   0.29521717  0.69226140 -0.05254046
   0.03123605  0.67227244  0.90614918
   0.59537754  0.04215355  0.11497027
   0.82226154  0.19295579  0.25182522
   0.62966769  0.27465831  0.02160442
   0.85387773  0.44446520  0.36825418
   0.01807826  0.36797768  0.17443549
   0.76021458  0.41730079  0.16993530
   0.70165375  0.15660081  0.39672097
   0.45737613  0.13996432  0.43006827
   0.63605998  0.07530800  0.56674738
   0.81361421  0.20743345  0.81687319
   0.59414490  0.33143488  0.52849442
   0.84923349  0.47177474  0.85315050
   1.00774954  0.46837742  0.69383010
   0.73900481  0.42137429  0.67252038
   0.74217388  0.04461177  0.94956006
   0.48105954  0.07836884  0.94971270
   0.56680735  0.54505078  0.06600125
   0.88440964  0.67292381  0.26757784
   0.58487115  0.79811486  0.02458861
   0.84397336  0.93584838  0.33428918
   0.91403103  0.87524974  0.15312234
   0.66253918  0.83156111  0.21156176
   0.80131418  0.68584220  0.44059431
   0.55977392  0.56449318  0.38034162
   0.63257744  0.60121374  0.56565663
   0.80774863  0.71199424  0.80366334
   0.56771171  0.81018109  0.43447886
   0.92459651  0.95349085  0.81773575
   0.94962374  0.80310158  0.66807035
   0.69017540  0.92641550  0.71865309
   0.79711836  0.63158604  0.98386015
   0.54941454  0.62288846  0.89007979
   0.71173635  0.83251166  0.55256794
   0.47189100  0.80494929  0.43431592
   0.87682663  0.23668560  0.08071488
   0.75642818  0.45535623  0.22905897
   0.34365125  0.11651769  0.62441095
   0.26458725  0.75767359  0.75264229
   0.16699857  1.10312895  0.17402200
   0.22803186  1.06425744  0.01343695
   0.62910087  0.37644092  0.83114577
   0.91156956  0.49512583  0.66966104
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.007743    0.338868   -0.177148
    -0.000000    9.751787   -0.072202
    -0.000000    0.000000   13.956716
   Si   O    H 
    32    64    10
Direct configuration=  2346
   0.14229284  0.17193493 -0.04074973
   0.33509270  0.09804786  0.36250128
   0.12547962  0.42436544  0.10000635
   0.36453654  0.33713680  0.22688508
   0.06624580  0.12254257  0.48760793
   0.39497704  0.12120695  0.85802585
   0.11294504  0.39999389  0.62361687
   0.36699416  0.38537369  0.74631703
   0.14126414  0.69836892 -0.01452641
   0.40408427  0.56804173  0.35268432
   0.07097158  0.90071117  0.13765988
   0.32727755  0.81921197  0.24316530
   0.17088795  0.64030183  0.48025310
   0.38308247  0.63858895  0.86312698
   0.06803962  0.87321419  0.61270163
   0.35302083  0.97230672  0.66968261
   0.62094205  0.10794940  1.01052741
   0.83622185  0.09720620  0.34908043
   0.61199224  0.38917237  0.10684144
   0.88449047  0.28587835  0.17261747
   0.59879193  0.17809518  0.48092387
   0.86946827  0.07951137  0.88021129
   0.60982350  0.44830997  0.60870730
   0.75579897  0.36601371  0.79170078
   0.63926958  0.65274097 -0.01380783
   0.90191011  0.59404182  0.37079131
   0.55396752  0.88000920  0.12354241
   0.82192685  0.82163461  0.24565978
   0.64560776  0.66293032  0.45714975
   0.88044618  0.62177910  0.88609618
   0.62749710  0.92080324  0.60870457
   0.84258359  0.85428456  0.74904529
   0.07834973  0.06545302  0.15272962
   0.30982030  0.17643679  0.25115781
   0.11509021  0.31674641  0.01492009
   0.36267156  0.41631563  0.32824745
   0.51974429  0.33394437  0.18875677
   0.27040545  0.39236104  0.14641696
   0.19762151  0.08868121  0.42025331
  -0.03165954  0.14454657  0.39637774
   0.01359354  0.00964222  0.55439884
   0.44952288  0.25182148  0.80003626
   0.06700216  0.26887819  0.54365531
   0.33273995  0.48646366  0.83367742
   0.47132513  0.44830484  0.67482328
   0.23862280  0.34678818  0.69094038
   0.23062184  0.17264948 -0.13968768
  -0.00579485  0.11464087  0.95348847
   0.12024946  0.58593987  0.07250971
   0.37325930  0.65771610  0.25685637
   0.11278376  0.84768560  0.03414178
   0.35835646  0.94003810  0.32502164
   0.39798023  0.86807745  0.14150902
   0.17137163  0.82782954  0.21952432
   0.31957949  0.65017920  0.43741164
   0.05053240  0.61647998  0.40134286
   0.17204665  0.51878453  0.56236164
   0.35435942  0.71185884  0.76248204
   0.14677098  0.78441542  0.53108275
   0.40339882  0.98870672  0.78173319
   0.45601024  0.88587717  0.59916009
   0.19904795  0.91933902  0.67918891
   0.29498896  0.69158423 -0.05156414
   0.03043010  0.67232734  0.90687379
   0.59345531  0.04171590  0.11426288
   0.82098564  0.19309753  0.25068274
   0.62976307  0.27452317  0.02152244
   0.85346846  0.44317941  0.36836110
   0.01855559  0.36821174  0.17450979
   0.76017102  0.41674244  0.17016253
   0.70227029  0.15740743  0.39625435
   0.45636678  0.13864880  0.43026524
   0.63360845  0.07739130  0.56629657
   0.81390499  0.20808102  0.81736908
   0.59417994  0.33208655  0.52928113
   0.84878193  0.46966979  0.85303130
   1.00879539  0.46890335  0.69453721
   0.73811019  0.41929306  0.67358176
   0.74423675  0.04435676  0.94891697
   0.48087710  0.07878838  0.94866362
   0.56609128  0.54482089  0.06538345
   0.88395808  0.67209465  0.26921156
   0.58389045  0.79644215  0.02536268
   0.84260255  0.93620631  0.33370964
   0.91325750  0.87502172  0.15337264
   0.66373761  0.83247493  0.21072827
   0.80231976  0.68426828  0.44152437
   0.56013332  0.56355161  0.38031902
   0.63287810  0.60199622  0.56630484
   0.80737755  0.71122875  0.80254181
   0.56750292  0.81028261  0.43542619
   0.92613781  0.95491810  0.81756832
   0.94944453  0.80348298  0.66740128
   0.69060126  0.92711581  0.71881708
   0.79604779  0.63119766  0.98412939
   0.54883579  0.62364156  0.89077396
   0.70577361  0.83618634  0.54806848
   0.46968381  0.80681118  0.42939887
   0.88091893  0.23499210  0.07411277
   0.75512052  0.45562656  0.24087415
   0.34282948  0.11818501  0.62868225
   0.25561716  0.75752093  0.75269456
   0.17138262  1.09384059  0.17418543
   0.22370704  1.06137292  0.01541713
   0.62671956  0.38316505  0.83280391
   0.91283372  0.49624077  0.67432997
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.008522    0.334468   -0.175605
    -0.000000    9.750785   -0.074211
    -0.000000    0.000000   13.957810
   Si   O    H 
    32    64    10
Direct configuration=  2347
   0.14380455  0.17187672 -0.04017307
   0.33434038  0.09557301  0.36196813
   0.12424696  0.42361009  0.10018506
   0.36552853  0.33711033  0.22657659
   0.06626603  0.12251026  0.48762460
   0.39473937  0.12011174  0.85761053
   0.11385982  0.39856498  0.62341959
   0.36739220  0.38489280  0.74595732
   0.14132595  0.69947110 -0.01330487
   0.40364088  0.56920166  0.35275332
   0.06993975  0.90002909  0.13761698
   0.32525855  0.81942326  0.24332446
   0.17069944  0.64001810  0.48080886
   0.38403506  0.63935540  0.86363390
   0.06837083  0.87463737  0.61323704
   0.35235862  0.97283981  0.66936710
   0.61990310  0.10810300  1.01057426
   0.83558803  0.09717471  0.34998328
   0.61216679  0.38858251  0.10600512
   0.88306661  0.28570374  0.17276258
   0.59769429  0.17772823  0.48014493
   0.86958537  0.07946472  0.87975844
   0.60889139  0.44912590  0.60859046
   0.75587013  0.36606838  0.79209674
   0.63957712  0.65288099 -0.01314038
   0.90196656  0.59464383  0.37081866
   0.55452674  0.88043443  0.12287727
   0.82099367  0.82201663  0.24603399
   0.64656959  0.66300303  0.45818557
   0.88013053  0.62192882  0.88645363
   0.62690684  0.92144894  0.60899191
   0.84202905  0.85504386  0.74855810
   0.07847796  0.06664097  0.15258606
   0.30885251  0.17513770  0.25203418
   0.11431539  0.31664078  0.01429139
   0.36345833  0.41680347  0.32730837
   0.51972708  0.33431654  0.18954099
   0.26948600  0.39227850  0.14740105
   0.19721374  0.08864961  0.42006210
  -0.03233555  0.14234637  0.39609420
   0.01228284  0.01054729  0.55424089
   0.44946479  0.25404939  0.79952127
   0.06692426  0.26861443  0.54316681
   0.33325926  0.48605726  0.83351002
   0.47113409  0.44563140  0.67587664
   0.23820229  0.34533767  0.68975345
   0.22846694  0.17398029 -0.13864365
  -0.00696276  0.11432359  0.95345764
   0.12232175  0.58572621  0.07239804
   0.37215721  0.65989353  0.25663422
   0.11324162  0.84607875  0.03333633
   0.35610958  0.93755686  0.32380780
   0.39815053  0.86638784  0.14186618
   0.17131575  0.82746557  0.21850853
   0.32093715  0.64882852  0.43642769
   0.04980019  0.61978193  0.40335088
   0.17235663  0.52116248  0.56190584
   0.35153891  0.71020510  0.76264474
   0.14790428  0.78649345  0.53144569
   0.40383923  0.98888371  0.78255251
   0.45598537  0.88507379  0.59960232
   0.19916818  0.91904168  0.67974027
   0.29453176  0.69124335 -0.05039078
   0.03048487  0.67162794  0.90790866
   0.59175031  0.04108350  0.11308836
   0.82012935  0.19323433  0.24930149
   0.63009691  0.27466442  0.02152089
   0.85263217  0.44152472  0.36835877
   0.01960048  0.36797717  0.17440711
   0.76001559  0.41579407  0.17067742
   0.70295664  0.15832657  0.39594853
   0.45607878  0.13794578  0.43096519
   0.63133960  0.07995587  0.56589297
   0.81450126  0.20860191  0.81747571
   0.59437711  0.33236372  0.52927306
   0.84762258  0.46761176  0.85276078
   1.00887318  0.46847586  0.69491719
   0.73850431  0.41706136  0.67480145
   0.74628662  0.04397178  0.94862981
   0.48033930  0.07973411  0.94832602
   0.56572481  0.54443438  0.06512557
   0.88417638  0.67117995  0.27031714
   0.58322468  0.79507582  0.02647698
   0.84227652  0.93615828  0.33286829
   0.91263091  0.87444390  0.15423851
   0.66433296  0.83248904  0.21027608
   0.80271084  0.68308047  0.44252183
   0.56003107  0.56215965  0.38039420
   0.63238509  0.60206246  0.56733773
   0.80728238  0.71135334  0.80126686
   0.56625062  0.81064631  0.43605753
   0.92718948  0.95682230  0.81724245
   0.94905215  0.80432618  0.66687495
   0.69186968  0.92865791  0.71899905
   0.79503143  0.63117666  0.98444556
   0.54840289  0.62523467  0.89093819
   0.70601363  0.83842045  0.54517252
   0.46960138  0.80930161  0.42466769
   0.88311480  0.23151820  0.06753880
   0.75508442  0.45450096  0.25037446
   0.34335330  0.11832499  0.63558049
   0.25733677  0.75374973  0.75336119
   0.17132521  1.08391184  0.17332551
   0.21668036  1.06181741  0.01779846
   0.61945515  0.38722865  0.83439054
   0.92331976  0.49363647  0.67931170
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.008931    0.330189   -0.174582
    -0.000000    9.749919   -0.076212
    -0.000000    0.000000   13.959045
   Si   O    H 
    32    64    10
Direct configuration=  2348
   0.14512179  0.17116532 -0.03959194
   0.33346111  0.09355278  0.36100761
   0.12332762  0.42365693  0.10046354
   0.36692460  0.33721073  0.22677696
   0.06658304  0.12352726  0.48745378
   0.39363250  0.11946566  0.85682184
   0.11459598  0.39749183  0.62304068
   0.36797340  0.38389077  0.74586377
   0.14134045  0.70044115 -0.01238656
   0.40359458  0.57055220  0.35285581
   0.06899046  0.89982576  0.13723461
   0.32373434  0.81980199  0.24334264
   0.17077829  0.63937615  0.48137122
   0.38498403  0.63964115  0.86370812
   0.06860651  0.87592036  0.61355623
   0.35178440  0.97398173  0.66928549
   0.61873160  0.10802859  1.01035277
   0.83535143  0.09779056  0.35094567
   0.61263668  0.38863506  0.10539404
   0.88207969  0.28515361  0.17235349
   0.59631193  0.17764705  0.47911121
   0.86908502  0.07947551  0.87952169
   0.60714812  0.45010185  0.60883882
   0.75614084  0.36607053  0.79208243
   0.63965517  0.65274021 -0.01263078
   0.90240747  0.59491294  0.37082751
   0.55537909  0.88048743  0.12288735
   0.82016648  0.82238964  0.24627262
   0.64715237  0.66264030  0.45913232
   0.87940221  0.62174563  0.88672962
   0.62610531  0.92252673  0.60901113
   0.84124811  0.85552163  0.74853744
   0.07796732  0.06772424  0.15252635
   0.30865139  0.17411342  0.25293388
   0.11319271  0.31703883  0.01312613
   0.36328718  0.41717989  0.32735699
   0.51902488  0.33498807  0.19034958
   0.26881553  0.39213238  0.14832121
   0.19750853  0.08875748  0.41993376
  -0.03254821  0.14096994  0.39659491
   0.01118219  0.01127629  0.55473640
   0.44919683  0.25622736  0.79891122
   0.06756665  0.26863477  0.54262200
   0.33351758  0.48523538  0.83324487
   0.47167094  0.44307781  0.67695949
   0.23771556  0.34403301  0.68780783
   0.22710246  0.17446595 -0.13753387
  -0.00812704  0.11411772  0.95322937
   0.12406840  0.58562746  0.07229304
   0.37123439  0.66247431  0.25599161
   0.11339816  0.84437698  0.03292177
   0.35470042  0.93488353  0.32339851
   0.39800842  0.86423246  0.14223225
   0.17043728  0.82828294  0.21755073
   0.32170888  0.64679705  0.43611285
   0.04903377  0.62255221  0.40545246
   0.17357589  0.52279739  0.56115575
   0.34847029  0.71019317  0.76281701
   0.14853039  0.78881840  0.53277040
   0.40421395  0.98897963  0.78370076
   0.45642001  0.88515450  0.60047215
   0.20005597  0.91821840  0.68085545
   0.29406277  0.69134449 -0.04906223
   0.02972879  0.67095675  0.90829746
   0.58911967  0.04061294  0.11239200
   0.81969797  0.19311210  0.24865651
   0.63083164  0.27559491  0.02169582
   0.85175422  0.43956123  0.36771577
   0.02144339  0.36696414  0.17447776
   0.75892537  0.41444658  0.17109862
   0.70280175  0.15860868  0.39542912
   0.45545288  0.13736742  0.43146405
   0.62928240  0.08114259  0.56529216
   0.81517436  0.20929319  0.81696669
   0.59473935  0.33309300  0.52886005
   0.84632429  0.46578792  0.85268801
   1.00999866  0.46747188  0.69579218
   0.73887083  0.41500086  0.67594584
   0.74850161  0.04371221  0.94852386
   0.48052659  0.08110826  0.94857112
   0.56613879  0.54337643  0.06599759
   0.88425126  0.67052146  0.27133291
   0.58272027  0.79563939  0.02712926
   0.84100295  0.93551988  0.33213990
   0.91207827  0.87425820  0.15540573
   0.66377702  0.83135585  0.20934125
   0.80313361  0.68230112  0.44319801
   0.55971434  0.56021750  0.38034160
   0.63177974  0.60245408  0.56781311
   0.80736433  0.71183165  0.80026830
   0.56529972  0.81127657  0.43685304
   0.92764545  0.95805385  0.81730715
   0.94899435  0.80523793  0.66585114
   0.69314330  0.92870589  0.71910308
   0.79335982  0.63133942  0.98508648
   0.54795478  0.62631372  0.89016973
   0.70622453  0.84005600  0.54096396
   0.46959918  0.81013918  0.42057401
   0.88534696  0.22864573  0.06782553
   0.75933682  0.45044365  0.25838027
   0.34486499  0.11715840  0.64107499
   0.26464665  0.74917192  0.75379980
   0.16921700  1.07733694  0.17215733
   0.20941558  1.06327020  0.01956935
   0.61768089  0.39127317  0.83647834
   0.91451315  0.49454380  0.68166211
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.009382    0.326275   -0.173898
    -0.000000    9.749066   -0.077350
    -0.000000    0.000000   13.960327
   Si   O    H 
    32    64    10
Direct configuration=  2349
   0.14622838  0.17051002 -0.03923617
   0.33287094  0.09134407  0.36050376
   0.12265778  0.42340505  0.10072144
   0.36819487  0.33661857  0.22722000
   0.06698030  0.12477314  0.48682968
   0.39273220  0.11883148  0.85567449
   0.11495040  0.39662462  0.62221461
   0.36856279  0.38354937  0.74612593
   0.14146830  0.70130674 -0.01127810
   0.40332056  0.57176433  0.35270579
   0.06794680  0.90053006  0.13733424
   0.32267146  0.82025178  0.24357548
   0.17048522  0.63886475  0.48191349
   0.38598257  0.63976177  0.86374017
   0.06883708  0.87747834  0.61419193
   0.35137245  0.97487442  0.66983967
   0.61708543  0.10800236  1.00977282
   0.83435539  0.09882815  0.35097986
   0.61302880  0.38917935  0.10465178
   0.88131289  0.28420824  0.17203813
   0.59595515  0.17773457  0.47820132
   0.86869373  0.07980371  0.87954630
   0.60556993  0.45160796  0.60878296
   0.75585497  0.36554060  0.79213737
   0.63913715  0.65238847 -0.01191141
   0.90218325  0.59440583  0.37124480
   0.55643247  0.88089844  0.12320965
   0.81932064  0.82296971  0.24681135
   0.64761702  0.66150164  0.46007373
   0.87873921  0.62125662  0.88734149
   0.62546777  0.92371031  0.60897743
   0.84000637  0.85620944  0.74891888
   0.07683255  0.06856697  0.15220699
   0.30909336  0.17375543  0.25374532
   0.11264221  0.31796103  0.01215898
   0.36263831  0.41692042  0.32856065
   0.51868000  0.33531364  0.19084096
   0.26789172  0.39231004  0.14865353
   0.19786113  0.08965989  0.41978735
  -0.03244916  0.13957747  0.39791382
   0.01106868  0.01151923  0.55507926
   0.44786401  0.25676092  0.79820153
   0.06824344  0.26905483  0.54250286
   0.33291982  0.48467005  0.83309876
   0.47214394  0.44217129  0.67801003
   0.23737428  0.34368447  0.68582213
   0.22705050  0.17446368 -0.13663535
  -0.00930206  0.11438641  0.95291330
   0.12454732  0.58539985  0.07246525
   0.37111052  0.66398935  0.25555966
   0.11273730  0.84339177  0.03237837
   0.35492762  0.93279181  0.32300536
   0.39702107  0.86237070  0.14319582
   0.16929686  0.82815203  0.21678461
   0.32139037  0.64539821  0.43517107
   0.04934570  0.62569579  0.40746106
   0.17515311  0.52438775  0.56094388
   0.34701082  0.70987688  0.76301017
   0.14933367  0.79058332  0.53377926
   0.40425616  0.98849169  0.78518294
   0.45737670  0.88523991  0.60129595
   0.20064558  0.91820776  0.68089842
   0.29423558  0.69159364 -0.04771609
   0.02930798  0.66996751  0.90826836
   0.58722975  0.04030258  0.11210639
   0.81886329  0.19288524  0.24798553
   0.63237418  0.27665710  0.02243548
   0.85041881  0.43770052  0.36657240
   0.02276109  0.36614325  0.17476188
   0.75712457  0.41365796  0.17163679
   0.70290748  0.15856603  0.39493928
   0.45421065  0.13635159  0.43230911
   0.62741070  0.08183979  0.56515446
   0.81558321  0.20916171  0.81656036
   0.59471285  0.33354095  0.52860711
   0.84469906  0.46386994  0.85266776
   1.00960457  0.46640642  0.69698715
   0.74000095  0.41296041  0.67759228
   0.74998503  0.04309720  0.94826875
   0.48117654  0.08292447  0.94866441
   0.56716435  0.54256525  0.06599856
   0.88419964  0.67033073  0.27134648
   0.58227660  0.79645533  0.02796566
   0.84044760  0.93470824  0.33147561
   0.91167884  0.87347742  0.15682388
   0.66397388  0.83092629  0.20858605
   0.80419645  0.68179754  0.44412586
   0.55922651  0.55844700  0.38000757
   0.63183973  0.60320569  0.56780439
   0.80731872  0.71200858  0.79979011
   0.56407631  0.81171426  0.43778797
   0.92808974  0.95881882  0.81701310
   0.94881065  0.80618860  0.66488985
   0.69404901  0.92784809  0.71942142
   0.79277993  0.63210921  0.98584993
   0.54739305  0.62763806  0.88944104
   0.70329051  0.84197520  0.53969943
   0.47127785  0.81123358  0.41560708
   0.88413133  0.22868996  0.07098771
   0.76428452  0.44728180  0.26888336
   0.34711573  0.11382908  0.64388858
   0.26134726  0.75357544  0.75093055
   0.17557233  1.07795169  0.17216129
   0.20573545  1.06906902  0.01912169
   0.61967299  0.39453392  0.83452747
   0.91188207  0.49312615  0.68611875
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.009610    0.321956   -0.173961
    -0.000000    9.747889   -0.078136
    -0.000000    0.000000   13.961837
   Si   O    H 
    32    64    10
Direct configuration=  2350
   0.14696298  0.17003174 -0.03901410
   0.33209273  0.08986168  0.35971355
   0.12210059  0.42316252  0.10087613
   0.36844840  0.33587567  0.22765667
   0.06698612  0.12565389  0.48660250
   0.39245117  0.11897320  0.85421754
   0.11577465  0.39551615  0.62169446
   0.36863725  0.38283656  0.74658730
   0.14102709  0.70141199 -0.01051369
   0.40233757  0.57385722  0.35204431
   0.06674461  0.90132227  0.13749190
   0.32126537  0.82053621  0.24347024
   0.17151036  0.63866931  0.48192912
   0.38666606  0.63972563  0.86356393
   0.06960210  0.87825618  0.61488139
   0.35096463  0.97563277  0.67043869
   0.61584994  0.10800052  1.00894707
   0.83333972  0.09939225  0.35140838
   0.61366448  0.39011746  0.10409109
   0.88083003  0.28380840  0.17171725
   0.59639639  0.17785532  0.47706549
   0.86829135  0.08045649  0.87982260
   0.60439345  0.45295122  0.60861154
   0.75521164  0.36527777  0.79199561
   0.63814166  0.65191372 -0.01100936
   0.90167022  0.59406128  0.37158151
   0.55838505  0.88162313  0.12335392
   0.81841896  0.82363383  0.24677062
   0.64776148  0.66039948  0.46065024
   0.87840069  0.62072544  0.88734954
   0.62425605  0.92530069  0.60859917
   0.83850588  0.85683560  0.74910831
   0.07649692  0.06900473  0.15204782
   0.30933835  0.17391404  0.25471736
   0.11180345  0.31877537  0.01150854
   0.36192977  0.41749374  0.32938675
   0.51819170  0.33516855  0.19143829
   0.26740579  0.39340712  0.14904804
   0.19878592  0.09030216  0.42002066
  -0.03151525  0.13882583  0.39869746
   0.01040264  0.01175119  0.55607598
   0.44659738  0.25667455  0.79811415
   0.06901166  0.26975840  0.54348743
   0.33215944  0.48388905  0.83296812
   0.47271711  0.44187643  0.67811543
   0.23708646  0.34263226  0.68460706
   0.22750063  0.17518863 -0.13567404
  -0.00924339  0.11464821  0.95248916
   0.12439725  0.58441583  0.07298405
   0.37153777  0.66404507  0.25506644
   0.11204419  0.84356882  0.03182912
   0.35545521  0.93148587  0.32302509
   0.39651667  0.86133383  0.14438996
   0.16786593  0.82847382  0.21673880
   0.32009221  0.64494469  0.43460283
   0.04975557  0.62801466  0.40936188
   0.17619055  0.52515973  0.56098445
   0.34572071  0.70918278  0.76310564
   0.15017494  0.79175935  0.53448176
   0.40388787  0.98847855  0.78648092
   0.45825779  0.88571536  0.60220682
   0.20060421  0.91819432  0.68098312
   0.29458999  0.69186898 -0.04650947
   0.02970344  0.66864719  0.90838428
   0.58486750  0.03951681  0.11184109
   0.81816761  0.19247162  0.24738775
   0.63340372  0.27843338  0.02302319
   0.84887323  0.43618418  0.36519191
   0.02286920  0.36677351  0.17552111
   0.75548894  0.41297152  0.17148507
   0.70290367  0.15757532  0.39455720
   0.45360716  0.13587211  0.43279225
   0.62635569  0.08167530  0.56542985
   0.81592882  0.20941023  0.81623092
   0.59404112  0.33442328  0.52828396
   0.84373719  0.46409766  0.85311710
   1.00886721  0.46552799  0.69860264
   0.74094706  0.41133791  0.67891221
   0.74979635  0.04265962  0.94893440
   0.48276534  0.08470671  0.94882178
   0.56806734  0.54165549  0.06598401
   0.88433907  0.66976127  0.27079966
   0.58234860  0.79725142  0.02868784
   0.83873697  0.93348222  0.33070920
   0.91133822  0.87238793  0.15840662
   0.66399688  0.83080336  0.20787105
   0.80505205  0.68094670  0.44521819
   0.55903612  0.55711793  0.37996958
   0.63159943  0.60381068  0.56756013
   0.80722556  0.71220999  0.79973902
   0.56310732  0.81150234  0.43872217
   0.92826274  0.95889836  0.81678593
   0.94853007  0.80648673  0.66373330
   0.69541274  0.92694246  0.71975429
   0.79328909  0.63211907  0.98597101
   0.54650425  0.62902424  0.88867559
   0.69957901  0.84510428  0.54368655
   0.47369043  0.81260531  0.41419238
   0.88194248  0.23246124  0.07347554
   0.77075287  0.44101173  0.28229539
   0.34872837  0.11502255  0.64483210
   0.25252424  0.75984912  0.74903368
   0.17596936  1.07993599  0.17205257
   0.20470902  1.07177797  0.01879842
   0.62562112  0.39280541  0.82989391
   0.91493596  0.48973774  0.68947300
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.009614    0.316844   -0.173787
    -0.000000    9.746079   -0.078732
    -0.000000    0.000000   13.963555
   Si   O    H 
    32    64    10
Direct configuration=  2351
   0.14710949  0.16890472 -0.03896981
   0.33153741  0.08761379  0.35891862
   0.12189015  0.42315908  0.10088588
   0.36858187  0.33504063  0.22791665
   0.06791055  0.12588059  0.48627357
   0.39244273  0.11982930  0.85264159
   0.11623056  0.39513081  0.62167530
   0.36811874  0.38167076  0.74665625
   0.14024143  0.70103171 -0.00993837
   0.40117869  0.57603997  0.35119996
   0.06537926  0.90200751  0.13750010
   0.32017473  0.82047614  0.24284047
   0.17220764  0.63883948  0.48210566
   0.38725056  0.63944433  0.86363722
   0.07074872  0.87900126  0.61526186
   0.35090474  0.97584329  0.67119111
   0.61477964  0.10792190  1.00811051
   0.83228225  0.09995406  0.35103715
   0.61397254  0.39162003  0.10393921
   0.88111332  0.28438015  0.17086797
   0.59611747  0.17864975  0.47603567
   0.86701031  0.08083058  0.88045426
   0.60433225  0.45404686  0.60910850
   0.75505086  0.36551640  0.79159490
   0.63654409  0.65140711 -0.00976746
   0.90135026  0.59414487  0.37204144
   0.55952087  0.88178538  0.12403780
   0.81736003  0.82440930  0.24681441
   0.64780021  0.65923109  0.46080953
   0.87853140  0.61937287  0.88733335
   0.62314108  0.92660682  0.60836313
   0.83779447  0.85649863  0.74908083
   0.07659252  0.07038153  0.15231012
   0.30982738  0.17413271  0.25557048
   0.11105367  0.31917272  0.01101399
   0.36057282  0.41891932  0.32968535
   0.51833787  0.33498782  0.19166276
   0.26749014  0.39419794  0.14890140
   0.19997528  0.09096335  0.42056250
  -0.03077481  0.13888115  0.39935296
   0.00962493  0.01176036  0.55682569
   0.44564074  0.25565613  0.79774328
   0.06962756  0.27044716  0.54431162
   0.33182462  0.48380952  0.83272371
   0.47391373  0.44146833  0.67800132
   0.23640412  0.34225421  0.68384596
   0.22841001  0.17581217 -0.13496846
  -0.00949912  0.11528750  0.95207295
   0.12457733  0.58342419  0.07303573
   0.37234851  0.66394280  0.25519960
   0.11082866  0.84495474  0.03162252
   0.35597762  0.93032216  0.32349651
   0.39561673  0.86106001  0.14520387
   0.16660594  0.82889948  0.21684441
   0.31842120  0.64438749  0.43467657
   0.04978858  0.63056611  0.41064158
   0.17671236  0.52544561  0.56059481
   0.34480815  0.70927407  0.76332036
   0.15016210  0.79251588  0.53516423
   0.40330158  0.98774252  0.78770727
   0.45940999  0.88661558  0.60312173
   0.20085517  0.91852751  0.68048034
   0.29475385  0.69183340 -0.04591314
   0.02963307  0.66742372  0.90790334
   0.58249824  0.03919819  0.11092437
   0.81669954  0.19099270  0.24739310
   0.63397753  0.27975423  0.02304792
   0.84707911  0.43503314  0.36386337
   0.02199578  0.36756756  0.17755762
   0.75450073  0.41188638  0.17144011
   0.70273798  0.15690878  0.39388538
   0.45197162  0.13667596  0.43230190
   0.62593143  0.08068865  0.56607627
   0.81615385  0.21048079  0.81642491
   0.59322966  0.33448846  0.52772803
   0.84285268  0.46471465  0.85366191
   1.00849397  0.46436463  0.70015189
   0.74169490  0.40974714  0.68018336
   0.74936000  0.04200652  0.95056309
   0.48493277  0.08640501  0.94917544
   0.56980308  0.54098952  0.06589489
   0.88425177  0.66967831  0.26989551
   0.58318742  0.79828211  0.02909482
   0.83695601  0.93292216  0.32995918
   0.91103336  0.87142251  0.15994928
   0.66368439  0.83117847  0.20699660
   0.80489172  0.67978734  0.44617083
   0.55966107  0.55654747  0.37989120
   0.63170252  0.60449610  0.56753668
   0.80821583  0.71195440  0.79980546
   0.56276753  0.81029166  0.43961802
   0.92758514  0.95861681  0.81590635
   0.94794680  0.80587013  0.66264587
   0.69607088  0.92653396  0.71948412
   0.79349157  0.63188379  0.98581597
   0.54591419  0.63087332  0.88799157
   0.70139653  0.84677894  0.54750849
   0.47046631  0.81145427  0.41329077
   0.87908432  0.23325803  0.07344827
   0.77967724  0.43654345  0.29945554
   0.34663866  0.11994529  0.63965693
   0.25616660  0.75990199  0.74894433
   0.16861373  1.08542492  0.16889596
   0.21329919  1.07077601  0.02208927
   0.62788162  0.38732113  0.82573343
   0.91489146  0.48664376  0.69218450
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010173    0.311185   -0.173806
    -0.000000    9.743858   -0.079222
    -0.000000    0.000000   13.965383
   Si   O    H 
    32    64    10
Direct configuration=  2352
   0.14695313  0.16822446 -0.03841330
   0.33152932  0.08622761  0.35855042
   0.12085435  0.42322666  0.10012518
   0.36879039  0.33426627  0.22789272
   0.06873425  0.12600110  0.48580904
   0.39241423  0.12100725  0.85144825
   0.11618471  0.39513819  0.62148007
   0.36805798  0.38081980  0.74714175
   0.13972294  0.69975950 -0.01004526
   0.40021334  0.57816295  0.35023539
   0.06374060  0.90262261  0.13760949
   0.31916741  0.82076500  0.24206660
   0.17328793  0.63907221  0.48243564
   0.38690301  0.63854390  0.86358334
   0.07193036  0.87912020  0.61546688
   0.35129045  0.97662136  0.67200292
   0.61448374  0.10811183  1.00739242
   0.83120850  0.10117510  0.35010586
   0.61446897  0.39264774  0.10432167
   0.88118054  0.28472972  0.16962284
   0.59575700  0.17955860  0.47529672
   0.86578176  0.08135685  0.88102776
   0.60494321  0.45507272  0.60908181
   0.75556025  0.36561057  0.79078759
   0.63491415  0.65089719 -0.00832901
   0.90094748  0.59406811  0.37275348
   0.55963720  0.88166704  0.12483265
   0.81670001  0.82530434  0.24670473
   0.64719583  0.65864034  0.46098487
   0.87917367  0.61758115  0.88738979
   0.62196743  0.92812603  0.60805177
   0.83766931  0.85601236  0.74909416
   0.07675492  0.07062908  0.15241304
   0.31134332  0.17493840  0.25572749
   0.11058951  0.31981330  0.01046611
   0.35915338  0.42051439  0.33020622
   0.51855791  0.33501943  0.19125274
   0.26777124  0.39448359  0.14864041
   0.20109979  0.09227407  0.42200794
  -0.03084168  0.13936068  0.39988097
   0.00918083  0.01156509  0.55743784
   0.44573550  0.25316919  0.79730863
   0.07007658  0.27155380  0.54586457
   0.33195687  0.48421224  0.83245674
   0.47506492  0.44177218  0.67753970
   0.23651829  0.34104647  0.68301711
   0.22986251  0.17675360 -0.13503052
  -0.00964840  0.11532184  0.95187471
   0.12437075  0.58339743  0.07283242
   0.37310781  0.66481222  0.25633098
   0.10886443  0.84760655  0.03182992
   0.35657773  0.92942784  0.32415216
   0.39525979  0.86146597  0.14567668
   0.16475370  0.82897450  0.21693691
   0.31639552  0.64530754  0.43466017
   0.04955809  0.63233535  0.41213738
   0.17702593  0.52494225  0.56050172
   0.34387172  0.70970763  0.76323528
   0.15030774  0.79230049  0.53589387
   0.40285780  0.98742980  0.78900485
   0.46051177  0.88677129  0.60457432
   0.20046761  0.91825900  0.67999985
   0.29420516  0.69233405 -0.04541273
   0.02819304  0.66582626  0.90765751
   0.58032212  0.03893635  0.11002784
   0.81532771  0.18944267  0.24751380
   0.63434180  0.27990935  0.02238603
   0.84539160  0.43458556  0.36204697
   0.02138219  0.36817562  0.17936370
   0.75342291  0.41133962  0.17125223
   0.70213506  0.15609766  0.39365734
   0.45051579  0.13695852  0.43222413
   0.62571448  0.07972588  0.56716699
   0.81632993  0.21145596  0.81682060
   0.59240503  0.33358333  0.52682842
   0.84256087  0.46552981  0.85397819
   1.00886717  0.46334628  0.70153542
   0.74235602  0.40909064  0.68110090
   0.74843036  0.04137324  0.95240863
   0.48664615  0.08803835  0.94882737
   0.57114310  0.53976001  0.06556179
   0.88470939  0.66950332  0.26886620
   0.58383223  0.79868063  0.02952054
   0.83509253  0.93247143  0.32940274
   0.91052530  0.86996067  0.16108301
   0.66477176  0.83109038  0.20642957
   0.80513256  0.67798812  0.44741152
   0.56004703  0.55689030  0.38097743
   0.63104641  0.60463073  0.56770118
   0.81004633  0.71201583  0.80030183
   0.56201113  0.80863235  0.44022999
   0.92657086  0.95857935  0.81480024
   0.94773484  0.80550610  0.66150187
   0.69721898  0.92573176  0.71862122
   0.79392221  0.63259287  0.98595529
   0.54542227  0.63321814  0.88778456
   0.70665626  0.84413843  0.55095768
   0.46765890  0.81165843  0.41183473
   0.87880496  0.23367672  0.07191361
   0.79358017  0.43083244  0.31982590
   0.34384688  0.12076160  0.63592892
   0.26613994  0.75773293  0.75039822
   0.16490062  1.09466896  0.16928238
   0.22719457  1.07013212  0.02433073
   0.62252487  0.37809737  0.82328343
   0.91078142  0.48423543  0.69341366
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010445    0.305367   -0.174741
    -0.000000    9.741781   -0.079372
    -0.000000    0.000000   13.967150
   Si   O    H 
    32    64    10
Direct configuration=  2353
   0.14670003  0.16783638 -0.03774547
   0.33134887  0.08527778  0.35815707
   0.12027747  0.42300591  0.09912906
   0.36931891  0.33377180  0.22809803
   0.06942150  0.12616513  0.48526378
   0.39261862  0.12186965  0.85000295
   0.11541630  0.39554749  0.62095308
   0.36770891  0.37988153  0.74773270
   0.13979697  0.69841420 -0.01044077
   0.40011557  0.58061218  0.34919489
   0.06232064  0.90311633  0.13784517
   0.31874624  0.82059972  0.24149528
   0.17414983  0.63875412  0.48326232
   0.38656127  0.63777458  0.86364560
   0.07297595  0.87834964  0.61588206
   0.35142845  0.97750062  0.67304118
   0.61487887  0.10870050  1.00668433
   0.83045023  0.10234383  0.34905372
   0.61483351  0.39362419  0.10481015
   0.88175384  0.28625624  0.16862062
   0.59527050  0.18024221  0.47473133
   0.86465008  0.08124942  0.88156695
   0.60628974  0.45505440  0.60904775
   0.75613606  0.36531271  0.79021516
   0.63277127  0.65036191 -0.00672733
   0.90047695  0.59459409  0.37364254
   0.55914985  0.88129094  0.12589543
   0.81615977  0.82601264  0.24659763
   0.64637385  0.65811506  0.46071139
   0.87967359  0.61636112  0.88701719
   0.62034668  0.92903344  0.60818612
   0.83753060  0.85598612  0.74858868
   0.07656445  0.07048360  0.15204259
   0.31325359  0.17486960  0.25565120
   0.10952917  0.32033839  0.00932995
   0.35728533  0.42193822  0.33125970
   0.51869291  0.33516237  0.19093452
   0.26745772  0.39493934  0.14892910
   0.20244046  0.09301728  0.42366426
  -0.03195599  0.13969490  0.40010083
   0.00926967  0.01161810  0.55753319
   0.44647634  0.25086044  0.79721676
   0.07010918  0.27289268  0.54759748
   0.33226036  0.48401069  0.83292778
   0.47681467  0.44298862  0.67687270
   0.23709745  0.34072579  0.68230344
   0.23261490  0.17774914 -0.13493716
  -0.01006190  0.11448732  0.95142700
   0.12408250  0.58368669  0.07328116
   0.37284314  0.66628450  0.25752049
   0.10595273  0.85026709  0.03130691
   0.35706662  0.92829532  0.32526105
   0.39555826  0.86221295  0.14629187
   0.16275191  0.82928096  0.21766635
   0.31447831  0.64634483  0.43434227
   0.04875486  0.63371929  0.41299521
   0.17749360  0.52356334  0.56076630
   0.34297648  0.70993648  0.76321470
   0.15121810  0.79152855  0.53679546
   0.40230785  0.98635408  0.78953645
   0.46111439  0.88734289  0.60593121
   0.19958411  0.91826971  0.67963031
   0.29393060  0.69217625 -0.04477274
   0.02720023  0.66410296  0.90710736
   0.57921287  0.03839780  0.10958321
   0.81379493  0.18841791  0.24811741
   0.63477272  0.27920678  0.02176075
   0.84735237  0.43449274  0.36224898
   0.02033441  0.36901708  0.18173061
   0.75300355  0.41053020  0.17062575
   0.70172530  0.15541492  0.39359735
   0.44956949  0.13642328  0.43131255
   0.62575078  0.07841099  0.56867082
   0.81640389  0.21229218  0.81640486
   0.59120125  0.33312720  0.52617533
   0.84240252  0.46641487  0.85350717
   1.00979201  0.46211609  0.70249039
   0.74225241  0.40860365  0.68173138
   0.74673551  0.04031885  0.95427295
   0.48693178  0.08897229  0.94823603
   0.57206187  0.53981650  0.06526706
   0.88501999  0.66972001  0.26822842
   0.58437460  0.79842579  0.02964172
   0.83299240  0.93348370  0.32933586
   0.90980363  0.86789671  0.16143276
   0.66583832  0.83119854  0.20683222
   0.80598601  0.67640864  0.44876432
   0.56083085  0.55762875  0.38263082
   0.63134178  0.60479086  0.56802517
   0.81246710  0.71189103  0.80058573
   0.56163745  0.80755282  0.44024189
   0.92511678  0.95860879  0.81410065
   0.94696353  0.80639990  0.66102456
   0.69803193  0.92485015  0.71727721
   0.79463655  0.63302115  0.98691980
   0.54504807  0.63572933  0.88759271
   0.71320427  0.84352069  0.55599581
   0.46827284  0.81414225  0.41125219
   0.87926134  0.23294010  0.07192618
   0.76736591  0.41551689  0.30603357
   0.34032067  0.11806359  0.63155472
   0.26631265  0.76363651  0.74847112
   0.16611973  1.10708435  0.17055203
   0.23945749  1.07208123  0.02333876
   0.61711613  0.36997330  0.82180823
   0.91054486  0.48348343  0.69496411
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010411    0.299577   -0.175792
    -0.000000    9.739696   -0.079474
    -0.000000    0.000000   13.968788
   Si   O    H 
    32    64    10
Direct configuration=  2354
   0.14667836  0.16758650 -0.03625669
   0.33180158  0.08464918  0.35776361
   0.12019775  0.42271104  0.09864794
   0.36998765  0.33297428  0.22857496
   0.07060777  0.12678788  0.48511329
   0.39223505  0.12243025  0.84895463
   0.11482157  0.39624980  0.62059901
   0.36800910  0.37878048  0.74826961
   0.14052796  0.69654405 -0.01020255
   0.40053399  0.58258887  0.34860049
   0.06109920  0.90362470  0.13835753
   0.31818958  0.82035801  0.24098879
   0.17477186  0.63847316  0.48402731
   0.38603640  0.63723967  0.86421772
   0.07336171  0.87801377  0.61595664
   0.35186720  0.97775779  0.67470377
   0.61557640  0.10964015  1.00592052
   0.83019506  0.10328536  0.34730325
   0.61608381  0.39513471  0.10512767
   0.88248290  0.28777417  0.16805581
   0.59443995  0.18106608  0.47424086
   0.86402614  0.08091401  0.88173752
   0.60768726  0.45419069  0.60888235
   0.75646377  0.36511158  0.78987956
   0.63031427  0.64950587 -0.00563948
   0.90026086  0.59424913  0.37413229
   0.55815693  0.88131001  0.12684201
   0.81652153  0.82653186  0.24664652
   0.64561952  0.65796414  0.45999378
   0.88005574  0.61501267  0.88700407
   0.61859686  0.92927408  0.60852300
   0.83678058  0.85522383  0.74794133
   0.07670049  0.06935016  0.15215698
   0.31510469  0.17525348  0.25503930
   0.10759387  0.32006662  0.00858104
   0.35464614  0.42277177  0.33160517
   0.51895888  0.33540574  0.19073925
   0.26639522  0.39542912  0.14880517
   0.20371198  0.09309326  0.42533447
  -0.03390232  0.13947682  0.40020324
   0.00938147  0.01154749  0.55740961
   0.44741132  0.24857198  0.79693641
   0.07045666  0.27401871  0.54937277
   0.33202893  0.48397704  0.83385511
   0.47906472  0.44445360  0.67644518
   0.23791762  0.34049219  0.68220967
   0.23453262  0.17837434 -0.13467332
  -0.00927202  0.11318846  0.95110626
   0.12364802  0.58372414  0.07374796
   0.37217925  0.66735933  0.25860409
   0.10359673  0.85345093  0.03098329
   0.35792654  0.92697510  0.32664786
   0.39665422  0.86256955  0.14768896
   0.16081313  0.82944868  0.21848061
   0.31303769  0.64707308  0.43384682
   0.04759083  0.63539938  0.41366106
   0.17781940  0.52255705  0.56158743
   0.34228297  0.71019999  0.76345725
   0.15235627  0.79012023  0.53807916
   0.40175362  0.98505534  0.78959831
   0.46194332  0.88751887  0.60727139
   0.19917016  0.91781570  0.67973838
   0.29418908  0.69183442 -0.04442344
   0.02667491  0.66164864  0.90594346
   0.57917586  0.03874117  0.10904065
   0.81234280  0.18769203  0.24876200
   0.63552955  0.27810590  0.02125000
   0.84900362  0.43384200  0.36196576
   0.01905293  0.37015459  0.18347522
   0.75287895  0.40958678  0.16994853
   0.70064878  0.15511719  0.39331637
   0.44880627  0.13630555  0.43030456
   0.62643432  0.07856847  0.56965476
   0.81656647  0.21323232  0.81590813
   0.59048945  0.33207809  0.52590055
   0.84239922  0.46672893  0.85342383
   1.01088437  0.46084940  0.70336157
   0.74174829  0.40827034  0.68140613
   0.74456969  0.03975717  0.95616038
   0.48610420  0.09009149  0.94732497
   0.57242030  0.54033364  0.06483202
   0.88549704  0.66886771  0.26731709
   0.58522093  0.79785495  0.02944261
   0.83191923  0.93513521  0.32982582
   0.90940309  0.86639767  0.16156781
   0.66650301  0.83123107  0.20790389
   0.80586555  0.67513958  0.44975657
   0.56155828  0.55791920  0.38401312
   0.63150710  0.60424297  0.56801794
   0.81474430  0.71090214  0.80190110
   0.56109190  0.80596064  0.44032674
   0.92382302  0.95813875  0.81418358
   0.94579339  0.80695657  0.66103184
   0.69826887  0.92389914  0.71606531
   0.79474395  0.63341273  0.98763905
   0.54489931  0.63798196  0.88750688
   0.71962547  0.84143163  0.56021515
   0.47440745  0.81731915  0.41182081
   0.88121781  0.23240934  0.07190495
   0.75332950  0.40535496  0.29844940
   0.33791381  0.11385976  0.62643611
   0.26029587  0.77614024  0.74664517
   0.16318426  1.11530752  0.17067459
   0.24781877  1.07691615  0.01954347
   0.61364794  0.36550604  0.81993080
   0.91711840  0.47995403  0.69515731
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010519    0.293806   -0.177190
    -0.000000    9.737714   -0.079442
    -0.000000    0.000000   13.970692
   Si   O    H 
    32    64    10
Direct configuration=  2355
   0.14646199  0.16700204 -0.03465758
   0.33205316  0.08511725  0.35784005
   0.12030077  0.42199014  0.09877167
   0.37066931  0.33198152  0.22949698
   0.07161899  0.12725027  0.48480757
   0.39223033  0.12365902  0.84818107
   0.11328120  0.39705180  0.62015556
   0.36898838  0.37765533  0.74851508
   0.14074572  0.69489483 -0.00990178
   0.40118422  0.58382048  0.34815284
   0.06047638  0.90353410  0.13892054
   0.31783310  0.81979219  0.24036769
   0.17481632  0.63856878  0.48470523
   0.38539896  0.63667722  0.86453855
   0.07387123  0.87738859  0.61604705
   0.35269883  0.97809267  0.67631362
   0.61569463  0.11062122  1.00522718
   0.83028140  0.10372817  0.34571181
   0.61743273  0.39539518  0.10539943
   0.88289478  0.28910945  0.16748986
   0.59432090  0.18236115  0.47379900
   0.86424158  0.08102129  0.88168380
   0.60886345  0.45304485  0.60892121
   0.75652233  0.36429377  0.78956487
   0.62819965  0.64879597 -0.00491829
   0.90066214  0.59400159  0.37399854
   0.55680350  0.88126626  0.12748428
   0.81777834  0.82638905  0.24656624
   0.64478534  0.65796507  0.45958825
   0.88033443  0.61438212  0.88673529
   0.61701169  0.92917006  0.60862644
   0.83645742  0.85449595  0.74734627
   0.07738433  0.06869709  0.15180629
   0.31680176  0.17588067  0.25453722
   0.10601943  0.32041370  0.00753361
   0.35279653  0.42374486  0.33127427
   0.51943010  0.33626428  0.19053409
   0.26572370  0.39576515  0.14883202
   0.20525748  0.09335578  0.42723645
  -0.03533604  0.13855739  0.40005256
   0.01039313  0.01135504  0.55730731
   0.44897306  0.24717284  0.79703430
   0.07093377  0.27484593  0.55045214
   0.33150084  0.48385653  0.83498592
   0.48105038  0.44588191  0.67572817
   0.23824112  0.34021679  0.68211815
   0.23664238  0.17842757 -0.13451016
  -0.00850198  0.11139390  0.95136783
   0.12358603  0.58334226  0.07384082
   0.37120211  0.66834812  0.25963118
   0.10129499  0.85681643  0.03071538
   0.35887503  0.92519811  0.32812222
   0.39809814  0.86286133  0.14806936
   0.15896130  0.83016013  0.21908855
   0.31136364  0.64807295  0.43337751
   0.04666637  0.63738371  0.41436466
   0.17785699  0.52185851  0.56258465
   0.34185318  0.71048411  0.76393311
   0.15277137  0.78821088  0.53909175
   0.40066129  0.98288536  0.78903251
   0.46230735  0.88760065  0.60922119
   0.19848812  0.91724617  0.68050274
   0.29423751  0.69220786 -0.04459445
   0.02746574  0.65918321  0.90476242
   0.57916784  0.03956787  0.10840892
   0.81122149  0.18731196  0.24918743
   0.63624338  0.27685749  0.02060323
   0.85087525  0.43221284  0.36141110
   0.01747868  0.37185120  0.18475818
   0.75321470  0.40896797  0.16921441
   0.69983109  0.15538866  0.39336774
   0.44729969  0.13602665  0.42981673
   0.62742636  0.07927642  0.56995677
   0.81687531  0.21419739  0.81593993
   0.59097445  0.33082783  0.52556630
   0.84203921  0.46744056  0.85318681
   1.01214572  0.45943627  0.70463919
   0.74009612  0.40971642  0.68017769
   0.74207537  0.03884172  0.95785112
   0.48447829  0.09067315  0.94576253
   0.57241219  0.54042693  0.06400607
   0.88527536  0.66750438  0.26624958
   0.58648948  0.79747549  0.02888710
   0.83105899  0.93686522  0.33071193
   0.90970693  0.86581844  0.16151935
   0.66686935  0.83115599  0.20892923
   0.80572278  0.67357267  0.45023011
   0.56229255  0.55884056  0.38479754
   0.63078347  0.60358810  0.56851282
   0.81669181  0.71063161  0.80287672
   0.56114694  0.80489538  0.44024755
   0.92228157  0.95722854  0.81465458
   0.94506798  0.80827925  0.66156875
   0.69750142  0.92299020  0.71450064
   0.79472899  0.63372386  0.98806334
   0.54475638  0.64010052  0.88797123
   0.72410371  0.84031153  0.56254953
   0.47458037  0.82222951  0.41059581
   0.87902155  0.22944485  0.07155659
   0.75007474  0.40230407  0.29399773
   0.33523777  0.10835111  0.62051210
   0.26561358  0.78061900  0.74836328
   0.15638958  1.11821703  0.17215139
   0.25417765  1.07972592  0.01377546
   0.61419883  0.36369392  0.82074738
   0.91964468  0.47829063  0.69325193
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010584    0.288493   -0.179079
    -0.000000    9.735990   -0.079026
    -0.000000    0.000000   13.972657
   Si   O    H 
    32    64    10
Direct configuration=  2356
   0.14669836  0.16617230 -0.03338728
   0.33204344  0.08537989  0.35745144
   0.12084952  0.42097952  0.09935463
   0.37077922  0.33127116  0.23032297
   0.07262558  0.12762728  0.48504199
   0.39174441  0.12469564  0.84786104
   0.11165380  0.39801325  0.61950741
   0.36912647  0.37693147  0.74851435
   0.14076638  0.69327529 -0.00984709
   0.40200174  0.58479692  0.34809429
   0.05990882  0.90376752  0.13940725
   0.31675514  0.81949229  0.23991851
   0.17434624  0.63940010  0.48553762
   0.38461798  0.63566668  0.86470876
   0.07394085  0.87756304  0.61619939
   0.35386543  0.97847740  0.67757540
   0.61534149  0.11148506  1.00489419
   0.82974606  0.10363481  0.34420007
   0.61832374  0.39494400  0.10562114
   0.88270439  0.29007933  0.16703753
   0.59476795  0.18298162  0.47352721
   0.86448382  0.08120994  0.88195113
   0.61014123  0.45163275  0.60937101
   0.75618664  0.36312132  0.78956476
   0.62611379  0.64804917 -0.00439041
   0.90139396  0.59345402  0.37398765
   0.55513679  0.88097220  0.12790245
   0.81896654  0.82624213  0.24601213
   0.64440602  0.65855603  0.45935515
   0.87996316  0.61423932  0.88647370
   0.61624457  0.92963383  0.60878907
   0.83560855  0.85408614  0.74683464
   0.07778344  0.06893310  0.15116109
   0.31868147  0.17651649  0.25466638
   0.10414410  0.32100945  0.00637763
   0.35156593  0.42393874  0.33072612
   0.51929868  0.33647297  0.19013588
   0.26474071  0.39628999  0.14886875
   0.20710973  0.09383212  0.42907731
  -0.03772309  0.13862851  0.39979050
   0.01175000  0.01137996  0.55724588
   0.45086067  0.24577520  0.79659072
   0.07128835  0.27534179  0.55157774
   0.33098659  0.48305101  0.83669168
   0.48224283  0.44688007  0.67512016
   0.23909353  0.33954387  0.68230610
   0.23774511  0.17831414 -0.13453299
  -0.00725356  0.10877028  0.95170544
   0.12337630  0.58289826  0.07343859
   0.37026473  0.66986870  0.26031396
   0.10089657  0.85954431  0.02973294
   0.36001178  0.92377604  0.32946684
   0.40031339  0.86238438  0.14825166
   0.15718389  0.83099762  0.21941218
   0.31040975  0.64949432  0.43295661
   0.04508314  0.63868275  0.41549562
   0.17789279  0.52091539  0.56321267
   0.34125691  0.71145112  0.76420901
   0.15419654  0.78503836  0.53946685
   0.39969528  0.98010042  0.78863807
   0.46249614  0.88689229  0.61154730
   0.19817094  0.91608892  0.68230901
   0.29447456  0.69183635 -0.04490780
   0.02805995  0.65643436  0.90393210
   0.57898962  0.04060205  0.10786001
   0.81029977  0.18768402  0.24867631
   0.63734442  0.27662683  0.02045164
   0.85293250  0.43091225  0.36058112
   0.01630806  0.37305702  0.18564905
   0.75359425  0.40872076  0.16861643
   0.69908356  0.15578825  0.39357070
   0.44642722  0.13594858  0.42903179
   0.62789900  0.08049414  0.56923046
   0.81706060  0.21504307  0.81583240
   0.59207221  0.32971279  0.52530498
   0.84242043  0.46741320  0.85258094
   1.01305455  0.45803345  0.70556060
   0.73888066  0.41163670  0.67882220
   0.74098707  0.03827797  0.95896959
   0.48256248  0.09015855  0.94368153
   0.57212177  0.54088356  0.06305215
   0.88459952  0.66567379  0.26555615
   0.58803439  0.79756636  0.02830532
   0.83083693  0.93840877  0.33161158
   0.91040186  0.86573356  0.16104099
   0.66698806  0.82994452  0.21007399
   0.80456312  0.67261174  0.45088213
   0.56180994  0.56051048  0.38576008
   0.63048770  0.60251561  0.56902085
   0.81857836  0.71057131  0.80373488
   0.56125399  0.80395214  0.44104736
   0.91984618  0.95561011  0.81537915
   0.94395018  0.80997803  0.66230466
   0.69605516  0.92174439  0.71305932
   0.79488738  0.63431762  0.98868225
   0.54416980  0.64141987  0.88900918
   0.72319066  0.84149281  0.56304475
   0.46864700  0.82510420  0.40708110
   0.87548330  0.22588716  0.07225956
   0.75275411  0.40633205  0.29511904
   0.33446113  0.10344023  0.61844235
   0.27690101  0.77689031  0.75142629
   0.15000254  1.11802474  0.17383326
   0.25211968  1.08421871  0.01032158
   0.62146474  0.36159382  0.82310032
   0.91884559  0.47897612  0.69122899
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010581    0.283395   -0.180981
    -0.000000    9.734894   -0.078651
    -0.000000    0.000000   13.974173
   Si   O    H 
    32    64    10
Direct configuration=  2357
   0.14683448  0.16548525 -0.03213840
   0.33254714  0.08571206  0.35676084
   0.12163823  0.41988342  0.09992554
   0.37086397  0.33119712  0.23152194
   0.07307890  0.12795706  0.48513036
   0.39126530  0.12487919  0.84743455
   0.10976326  0.39977768  0.61941434
   0.36966150  0.37605584  0.74837946
   0.14140387  0.69196876 -0.01019190
   0.40345931  0.58491455  0.34846504
   0.05949147  0.90424923  0.14021527
   0.31571824  0.81979197  0.23929858
   0.17315096  0.64044043  0.48610771
   0.38329969  0.63441642  0.86524285
   0.07343793  0.87807917  0.61649072
   0.35500307  0.97879405  0.67895662
   0.61524657  0.11188551  1.00490046
   0.82944073  0.10337938  0.34272161
   0.61889736  0.39390910  0.10629547
   0.88238084  0.29049296  0.16653934
   0.59423502  0.18307764  0.47376470
   0.86482904  0.08155316  0.88277579
   0.61163305  0.44980676  0.60943722
   0.75557245  0.36147626  0.79023431
   0.62513553  0.64699665 -0.00452097
   0.90229934  0.59218206  0.37432999
   0.55389856  0.88005049  0.12791605
   0.81954965  0.82542995  0.24568473
   0.64394481  0.65904234  0.45837008
   0.87930593  0.61398338  0.88648143
   0.61613932  0.92983702  0.60879863
   0.83507497  0.85307235  0.74645932
   0.07713600  0.06900949  0.14999668
   0.32110637  0.17636547  0.25595707
   0.10275030  0.32172990  0.00529285
   0.35008943  0.42413188  0.33096546
   0.51998237  0.33655920  0.18957386
   0.26396314  0.39664750  0.14917508
   0.20880761  0.09414420  0.43125708
  -0.03934801  0.13840623  0.39983613
   0.01285236  0.01163853  0.55703142
   0.45334885  0.24505440  0.79590473
   0.07129382  0.27586615  0.55217147
   0.33033441  0.48245394  0.83815203
   0.48328171  0.44833825  0.67513409
   0.24032898  0.33832979  0.68275330
   0.23836557  0.17717825 -0.13373606
  -0.00621275  0.10642248  0.95274954
   0.12312245  0.58217016  0.07303369
   0.36947820  0.67181308  0.25999228
   0.10034121  0.86180261  0.02817343
   0.36116458  0.92302207  0.33013634
   0.40214125  0.86200763  0.14868056
   0.15568022  0.83162352  0.22030527
   0.30996173  0.65112075  0.43202882
   0.04329628  0.63961860  0.41632930
   0.17751228  0.51980631  0.56428416
   0.34151687  0.71205647  0.76513317
   0.15533936  0.78256091  0.54006019
   0.39943098  0.97840445  0.78850184
   0.46296780  0.88521774  0.61417143
   0.19824739  0.91457410  0.68401821
   0.29463521  0.69120559 -0.04530679
   0.02972491  0.65458172  0.90338122
   0.57851456  0.04114832  0.10670857
   0.80933308  0.18751752  0.24724354
   0.63858139  0.27594616  0.02043761
   0.85437580  0.42997241  0.35943207
   0.01574056  0.37456467  0.18600975
   0.75462638  0.40916235  0.16802777
   0.69756308  0.15590068  0.39386643
   0.44587889  0.13568393  0.42816103
   0.62802639  0.08211395  0.56858963
   0.81717719  0.21566071  0.81590216
   0.59353083  0.32928933  0.52506227
   0.84239204  0.46813579  0.85269512
   1.01415482  0.45612834  0.70629858
   0.73836903  0.41346929  0.67812169
   0.74155896  0.03730409  0.95924764
   0.48047468  0.09010081  0.94157339
   0.57179877  0.54047692  0.06234477
   0.88393630  0.66491453  0.26523870
   0.58910158  0.79803001  0.02824554
   0.83079325  0.93912132  0.33236928
   0.91143049  0.86581581  0.16003740
   0.66646655  0.82782452  0.21102853
   0.80261987  0.67247035  0.45173788
   0.56058727  0.56175951  0.38638248
   0.63031051  0.60165373  0.56953790
   0.82042102  0.71056085  0.80402938
   0.56073356  0.80398348  0.44170181
   0.91764450  0.95408939  0.81648763
   0.94226732  0.81204109  0.66269124
   0.69536888  0.92017860  0.71134027
   0.79448359  0.63413992  0.98897716
   0.54380058  0.64259203  0.89014336
   0.71915837  0.84437206  0.56313815
   0.47141464  0.82464103  0.40639856
   0.87087334  0.21638234  0.07019108
   0.76511831  0.41265028  0.30166688
   0.33411170  0.09965657  0.61795020
   0.27620855  0.78163303  0.75047854
   0.15224057  1.12107521  0.17769753
   0.25219757  1.08882737  0.01151885
   0.62779961  0.35830237  0.82665701
   0.92059244  0.47966286  0.69001333
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010350    0.278998   -0.182523
    -0.000000    9.733639   -0.078111
    -0.000000    0.000000   13.975796
   Si   O    H 
    32    64    10
Direct configuration=  2358
   0.14667808  0.16563998 -0.03105838
   0.33315151  0.08586244  0.35645957
   0.12191401  0.41906870  0.10038808
   0.37049967  0.33087923  0.23291080
   0.07330432  0.12837415  0.48525312
   0.39057357  0.12506394  0.84749387
   0.10823097  0.40127865  0.61964327
   0.37033900  0.37542830  0.74800870
   0.14198821  0.69125084 -0.01077583
   0.40537454  0.58438357  0.34898657
   0.05949310  0.90445397  0.14075333
   0.31405505  0.82034401  0.23876904
   0.17220465  0.64108363  0.48635422
   0.38166897  0.63315044  0.86562676
   0.07341372  0.87877914  0.61642659
   0.35613788  0.97925031  0.67967271
   0.61514165  0.11289007  1.00500779
   0.82932157  0.10341293  0.34173405
   0.61950118  0.39234116  0.10706465
   0.88175935  0.29082598  0.16625027
   0.59366961  0.18302971  0.47443098
   0.86544385  0.08150076  0.88299093
   0.61271538  0.44752225  0.60940294
   0.75476523  0.36017024  0.79103231
   0.62485932  0.64680206 -0.00494929
   0.90253209  0.59124793  0.37439402
   0.55336273  0.87945627  0.12785464
   0.82027054  0.82419628  0.24557695
   0.64276437  0.65942943  0.45761977
   0.87861304  0.61384406  0.88708302
   0.61558894  0.93036092  0.60865671
   0.83485644  0.85205091  0.74593945
   0.07642938  0.07017765  0.14921418
   0.32353265  0.17579323  0.25751894
   0.10100231  0.32317244  0.00449878
   0.34931890  0.42470756  0.33149131
   0.52010969  0.33662798  0.18907526
   0.26406719  0.39692752  0.14996065
   0.21117308  0.09455672  0.43323837
  -0.04147358  0.13780104  0.39956743
   0.01426518  0.01165067  0.55624055
   0.45632172  0.24469584  0.79531197
   0.07097393  0.27541587  0.55257042
   0.33013137  0.48119495  0.83895633
   0.48344002  0.45011291  0.67587234
   0.24201762  0.33781339  0.68363095
   0.23850808  0.17629907 -0.13261489
  -0.00493209  0.10372394  0.95416338
   0.12300905  0.58252832  0.07299063
   0.36845694  0.67378443  0.25975848
   0.10053265  0.86341650  0.02656755
   0.36167189  0.92203060  0.33026460
   0.40308565  0.86092278  0.14890390
   0.15485464  0.83251637  0.22116601
   0.30938809  0.65231878  0.43084204
   0.04220477  0.64054424  0.41720923
   0.17678403  0.51825974  0.56506170
   0.34209060  0.71152466  0.76542210
   0.15577161  0.78077428  0.54105358
   0.39968739  0.97795148  0.78868520
   0.46307239  0.88392041  0.61677649
   0.19878445  0.91301880  0.68592036
   0.29496561  0.69076024 -0.04540170
   0.03177076  0.65363702  0.90339828
   0.57857324  0.04090587  0.10566008
   0.80879666  0.18786730  0.24572186
   0.64004531  0.27554887  0.02030844
   0.85550242  0.42875343  0.35828942
   0.01558343  0.37605778  0.18580711
   0.75644202  0.40956923  0.16690665
   0.69592073  0.15538492  0.39376552
   0.44614416  0.13556300  0.42757133
   0.62795275  0.08333055  0.56742945
   0.81746799  0.21575661  0.81610011
   0.59549846  0.32859577  0.52467572
   0.84189582  0.46770001  0.85310612
   1.01519656  0.45427459  0.70720368
   0.73880861  0.41451240  0.67741860
   0.74258296  0.03701557  0.95979402
   0.47885283  0.09004105  0.93932101
   0.57064319  0.53961948  0.06241004
   0.88316081  0.66510730  0.26590238
   0.59046349  0.79933712  0.02885776
   0.83127402  0.93849902  0.33328272
   0.91169615  0.86595112  0.15872083
   0.66497582  0.82604185  0.21174608
   0.80131537  0.67231854  0.45223089
   0.55988983  0.56243404  0.38673437
   0.62969141  0.60012419  0.57017604
   0.82107910  0.71191183  0.80415008
   0.55905692  0.80317907  0.44216333
   0.91569709  0.95335844  0.81734528
   0.94091908  0.81380027  0.66277861
   0.69477126  0.91954767  0.70958499
   0.79321852  0.63436046  0.98913594
   0.54237785  0.64328361  0.89124370
   0.71241295  0.84567398  0.56293197
   0.48190872  0.82133864  0.40852320
   0.86989002  0.20714104  0.07202865
   0.78559330  0.42136940  0.31364909
   0.33706801  0.09585277  0.61988297
   0.26986323  0.78964579  0.74891565
   0.15301571  1.12193228  0.18069374
   0.25145053  1.09007467  0.02023174
   0.62881688  0.35428616  0.83124479
   0.92239129  0.47747887  0.68721051
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010169    0.274434   -0.184493
    -0.000000    9.732018   -0.076853
    -0.000000    0.000000   13.978069
   Si   O    H 
    32    64    10
Direct configuration=  2359
   0.14720011  0.16542913 -0.03062674
   0.33350728  0.08595715  0.35646778
   0.12219772  0.41877730  0.10097025
   0.37062883  0.33031198  0.23399995
   0.07429241  0.12952878  0.48532004
   0.38987769  0.12567603  0.84747643
   0.10625478  0.40240544  0.62027417
   0.37170899  0.37551868  0.74718753
   0.14186588  0.69204038 -0.01128335
   0.40692628  0.58348966  0.34946924
   0.06010253  0.90379647  0.14062631
   0.31266663  0.82147425  0.23854506
   0.17119763  0.64139713  0.48638447
   0.38075686  0.63253725  0.86580502
   0.07339275  0.87884704  0.61617311
   0.35739841  0.97882738  0.68005453
   0.61451165  0.11400764  1.00516622
   0.82942516  0.10346019  0.34082041
   0.62035703  0.39023461  0.10802999
   0.88101983  0.29067532  0.16641063
   0.59352483  0.18264466  0.47519768
   0.86586992  0.08082395  0.88314445
   0.61326903  0.44489690  0.60907886
   0.75397871  0.35885599  0.79221456
   0.62459787  0.64699143 -0.00542384
   0.90216011  0.59009590  0.37458428
   0.55264831  0.87860988  0.12788827
   0.82135724  0.82240191  0.24586461
   0.64147446  0.65972890  0.45707082
   0.87786569  0.61386132  0.88783690
   0.61523091  0.93034403  0.60812773
   0.83533969  0.85089849  0.74532782
   0.07545271  0.07178666  0.14840018
   0.32547622  0.17518425  0.25951188
   0.09905065  0.32399442  0.00404465
   0.34894205  0.42607057  0.33217523
   0.52065285  0.33718788  0.18930718
   0.26502598  0.39715875  0.15106472
   0.21307643  0.09536912  0.43490960
  -0.04257069  0.13771788  0.40002442
   0.01680787  0.01185191  0.55593936
   0.45917604  0.24521928  0.79493580
   0.07019335  0.27434009  0.55295041
   0.33104430  0.47952987  0.83988435
   0.48264968  0.45103744  0.67657224
   0.24381412  0.33696818  0.68464538
   0.23877119  0.17491632 -0.13112441
  -0.00363687  0.10102793  0.95513628
   0.12343871  0.58332051  0.07298375
   0.36733106  0.67522938  0.25925763
   0.10069460  0.86460302  0.02526754
   0.36103172  0.92145445  0.33064173
   0.40385782  0.85953244  0.14845666
   0.15462173  0.83310226  0.22204889
   0.30822297  0.65377021  0.43006285
   0.04113687  0.64159748  0.41812369
   0.17644465  0.51700771  0.56500181
   0.34150919  0.71046165  0.76531697
   0.15572101  0.77980480  0.54195403
   0.39969708  0.97722382  0.78919621
   0.46328952  0.88216365  0.61957489
   0.19945740  0.91155208  0.68822308
   0.29589665  0.69028520 -0.04553952
   0.03398095  0.65212884  0.90292488
   0.57881882  0.04049627  0.10451050
   0.80867199  0.18822916  0.24344354
   0.64076373  0.27620532  0.02061679
   0.85806284  0.42813073  0.35725857
   0.01584234  0.37713746  0.18501637
   0.75799219  0.41053116  0.16540818
   0.69461343  0.15441070  0.39426663
   0.44715571  0.13569511  0.42716452
   0.62801024  0.08412957  0.56626052
   0.81789743  0.21465020  0.81659577
   0.59699388  0.32871652  0.52415017
   0.84183101  0.46803817  0.85321317
   1.01535668  0.45258450  0.70754126
   0.73994878  0.41585000  0.67731322
   0.74419516  0.03623392  0.96001625
   0.47808261  0.09061538  0.93746248
   0.56913388  0.53811471  0.06253195
   0.88270271  0.66523104  0.26714482
   0.59141915  0.80115068  0.02914175
   0.83213814  0.93745792  0.33411165
   0.91095427  0.86579071  0.15727330
   0.66324235  0.82496245  0.21300564
   0.80020325  0.67220653  0.45236874
   0.55963411  0.56218598  0.38670437
   0.62888498  0.59843136  0.57024075
   0.82099893  0.71370589  0.80357963
   0.55853829  0.80205175  0.44265710
   0.91349173  0.95261185  0.81838413
   0.94028351  0.81603416  0.66289408
   0.69333098  0.91941025  0.70800909
   0.79198640  0.63503109  0.98909671
   0.54097519  0.64428209  0.89235149
   0.70644718  0.84179408  0.56071779
   0.48048219  0.82076399  0.40330211
   0.86970576  0.20295709  0.07583112
   0.79749771  0.42531399  0.31923823
   0.33938786  0.09777485  0.62362759
   0.26885491  0.79108989  0.75022212
   0.14899379  1.11658962  0.18216559
   0.25033971  1.09019086  0.03069579
   0.62423861  0.35061038  0.83588937
   0.92522602  0.47656384  0.68520778
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010576    0.270244   -0.186358
    -0.000000    9.730380   -0.075755
    -0.000000    0.000000   13.980951
   Si   O    H 
    32    64    10
Direct configuration=  2360
   0.14788415  0.16464414 -0.03054843
   0.33358117  0.08549281  0.35637395
   0.12273968  0.41855422  0.10156342
   0.37056568  0.32997664  0.23454005
   0.07478341  0.13116417  0.48545314
   0.38905945  0.12698252  0.84729505
   0.10536445  0.40275543  0.62091345
   0.37308480  0.37624269  0.74603641
   0.14228619  0.69307425 -0.01160825
   0.40779128  0.58207381  0.34995149
   0.06078703  0.90317446  0.14010714
   0.31167974  0.82331837  0.23871271
   0.17074524  0.64139363  0.48597555
   0.38017502  0.63176693  0.86577386
   0.07362179  0.87877665  0.61611431
   0.35802517  0.97799101  0.68007690
   0.61423862  0.11467884  1.00529561
   0.82966788  0.10388138  0.33934153
   0.62139885  0.38884215  0.10833849
   0.88077669  0.29000740  0.16672504
   0.59306743  0.18212924  0.47604728
   0.86701717  0.08036067  0.88351435
   0.61326475  0.44304840  0.60845186
   0.75321197  0.35777083  0.79338839
   0.62464945  0.64740043 -0.00624108
   0.90179593  0.58901471  0.37459390
   0.55235081  0.87864447  0.12803385
   0.82279314  0.82104391  0.24591981
   0.64045190  0.66055688  0.45688130
   0.87721235  0.61387850  0.88875182
   0.61458362  0.92987599  0.60728086
   0.83555356  0.85017954  0.74475974
   0.07483051  0.07361284  0.14795126
   0.32673361  0.17442115  0.26170642
   0.09799610  0.32535029  0.00341562
   0.34817684  0.42791640  0.33279472
   0.52015673  0.33813813  0.18952347
   0.26579585  0.39623251  0.15220302
   0.21395984  0.09583029  0.43604380
  -0.04314832  0.13788894  0.40022193
   0.01981858  0.01280870  0.55536164
   0.46200420  0.24658976  0.79423089
   0.06939176  0.27347975  0.55295536
   0.33158709  0.47757923  0.84023636
   0.48142403  0.45213973  0.67740429
   0.24579059  0.33617618  0.68553747
   0.23855643  0.17419724 -0.12955144
  -0.00282318  0.09860639  0.95604457
   0.12285090  0.58425352  0.07289566
   0.36560140  0.67576392  0.25851531
   0.10118830  0.86419126  0.02485531
   0.35997691  0.92102167  0.33094844
   0.40400904  0.85891444  0.14786919
   0.15386700  0.83407654  0.22336477
   0.30789659  0.65547703  0.42888042
   0.04006674  0.64162904  0.41817418
   0.17531773  0.51644021  0.56523774
   0.34124207  0.70941542  0.76502391
   0.15478652  0.77948298  0.54286132
   0.40024559  0.97717764  0.79053687
   0.46341365  0.88006056  0.62259399
   0.19955577  0.91020876  0.69045142
   0.29661657  0.68993786 -0.04586614
   0.03621117  0.65119227  0.90295185
   0.57890260  0.03966004  0.10340659
   0.80880181  0.18876560  0.24152649
   0.64221220  0.27629938  0.02069878
   0.86291670  0.42823353  0.35798329
   0.01558922  0.37781100  0.18399386
   0.75965660  0.41146686  0.16379766
   0.69237041  0.15359292  0.39447046
   0.44929307  0.13593640  0.42695925
   0.62849117  0.08493091  0.56564775
   0.81891604  0.21223127  0.81734066
   0.59813856  0.33021917  0.52377083
   0.84145373  0.46872532  0.85313787
   1.01561197  0.45201854  0.70777925
   0.74240703  0.41637961  0.67813675
   0.74649602  0.03545269  0.95993863
   0.47786911  0.09198039  0.93620313
   0.56731570  0.53612838  0.06323131
   0.88254329  0.66613229  0.26809267
   0.59244343  0.80333279  0.02939358
   0.83341573  0.93591482  0.33433787
   0.91018234  0.86523818  0.15609896
   0.66092242  0.82435381  0.21446775
   0.79915352  0.67200800  0.45209927
   0.55939494  0.56235320  0.38597874
   0.62836889  0.59627208  0.57026783
   0.82056311  0.71508606  0.80276699
   0.55814750  0.80147211  0.44330550
   0.91090673  0.95207780  0.81923809
   0.93995745  0.81752112  0.66271396
   0.69267401  0.91901332  0.70663312
   0.79049708  0.63578582  0.98878119
   0.53953317  0.64480686  0.89320794
   0.70310941  0.83588394  0.55471839
   0.47435166  0.82306736  0.39755652
   0.87183181  0.20227102  0.08163117
   0.76728787  0.42649185  0.29986158
   0.34163428  0.10975092  0.62728321
   0.27380750  0.78500048  0.75536996
   0.14665737  1.10788951  0.18255904
   0.24853164  1.09251391  0.04154523
   0.61641161  0.34946856  0.83938280
   0.92517118  0.47624453  0.68352774
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.011073    0.265785   -0.188148
    -0.000000    9.728963   -0.074708
    -0.000000    0.000000   13.983697
   Si   O    H 
    32    64    10
Direct configuration=  2361
   0.14851954  0.16403711 -0.03014182
   0.33366923  0.08549818  0.35577254
   0.12339831  0.41829142  0.10211373
   0.37057581  0.32966893  0.23518289
   0.07476648  0.13218785  0.48562362
   0.38787551  0.12811029  0.84707241
   0.10514477  0.40196414  0.62119552
   0.37428539  0.37742355  0.74509365
   0.14259795  0.69439708 -0.01193450
   0.40875247  0.58103149  0.35015666
   0.06119290  0.90262864  0.13941440
   0.31053277  0.82504327  0.23895411
   0.17049266  0.64089555  0.48537341
   0.37923793  0.63141339  0.86517460
   0.07417847  0.87899191  0.61600673
   0.35768710  0.97700384  0.67967840
   0.61415413  0.11578315  1.00522756
   0.82989364  0.10427030  0.33844250
   0.62195765  0.38737930  0.10822481
   0.87982265  0.28910081  0.16713800
   0.59174961  0.18180339  0.47741606
   0.86786868  0.08062777  0.88396756
   0.61277493  0.44110784  0.60806594
   0.75253962  0.35743739  0.79482066
   0.62443354  0.64803185 -0.00730947
   0.90152757  0.58802767  0.37461889
   0.55244277  0.87887409  0.12802022
   0.82358054  0.81973242  0.24630149
   0.63918992  0.66130337  0.45711431
   0.87656805  0.61422510  0.88956416
   0.61466316  0.92965738  0.60640365
   0.83496631  0.84956534  0.74417557
   0.07361021  0.07519673  0.14709059
   0.32820231  0.17415393  0.26273752
   0.09782412  0.32610934  0.00264544
   0.34739334  0.43035468  0.33288683
   0.51949961  0.33877583  0.18962418
   0.26628813  0.39486714  0.15368029
   0.21383957  0.09596830  0.43675485
  -0.04329976  0.13799481  0.40049440
   0.02245989  0.01365906  0.55490706
   0.46455241  0.24776684  0.79309804
   0.06763656  0.27209166  0.55294917
   0.33238732  0.47571579  0.84105987
   0.47970356  0.45291132  0.67807586
   0.24739316  0.33498766  0.68643214
   0.23839793  0.17348134 -0.12836918
  -0.00186005  0.09634087  0.95649054
   0.12237141  0.58573966  0.07275833
   0.36342481  0.67590568  0.25769489
   0.10144605  0.86272662  0.02494145
   0.35903675  0.92096069  0.33060994
   0.40379772  0.85908694  0.14815284
   0.15222518  0.83525881  0.22448639
   0.30780631  0.65703398  0.42769657
   0.03915128  0.64098186  0.41775492
   0.17473480  0.51630463  0.56479051
   0.34148207  0.70892489  0.76435561
   0.15399936  0.77953481  0.54354593
   0.40019895  0.97739775  0.79140572
   0.46411375  0.87775206  0.62533338
   0.20002656  0.90865924  0.69297663
   0.29752989  0.68943611 -0.04579680
   0.03806631  0.65042229  0.90269591
   0.57889092  0.03908181  0.10253797
   0.80904486  0.18927701  0.23983420
   0.64316606  0.27652151  0.02085977
   0.86712856  0.42977891  0.35894633
   0.01430023  0.37822551  0.18293264
   0.75994165  0.41322865  0.16255474
   0.69007770  0.15401201  0.39448032
   0.45131520  0.13605029  0.42671307
   0.62905643  0.08490913  0.56549306
   0.82030661  0.20893886  0.81785970
   0.59881275  0.33162874  0.52334178
   0.84149392  0.46806245  0.85322838
   1.01558955  0.45158155  0.70797502
   0.74438759  0.41667074  0.67889146
   0.74888685  0.03529218  0.95953689
   0.47830483  0.09366231  0.93622471
   0.56549472  0.53451789  0.06399340
   0.88205224  0.66669233  0.26947709
   0.59349094  0.80465262  0.02964690
   0.83445144  0.93500554  0.33448962
   0.91018575  0.86464972  0.15547112
   0.65803610  0.82409122  0.21606765
   0.79795232  0.67075183  0.45157945
   0.55895583  0.56229948  0.38493177
   0.62779119  0.59428656  0.57018027
   0.81985516  0.71657151  0.80200789
   0.55718706  0.80262110  0.44337751
   0.90850317  0.95184682  0.82016776
   0.94029976  0.81892719  0.66217593
   0.69261083  0.91835132  0.70569579
   0.78905983  0.63667342  0.98854713
   0.53822564  0.64447820  0.89414961
   0.69900162  0.82928695  0.54597225
   0.47705382  0.82311592  0.39941964
   0.87344886  0.20073738  0.08494593
   0.74810742  0.42548611  0.28694098
   0.34264807  0.11707409  0.63373676
   0.27936373  0.77610661  0.76158518
   0.15444843  1.10356471  0.18581011
   0.24357702  1.10138988  0.04669434
   0.61375059  0.35415839  0.84087929
   0.92734963  0.47695713  0.68368798
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.011618    0.260878   -0.190245
    -0.000000    9.727368   -0.073885
    -0.000000    0.000000   13.986369
   Si   O    H 
    32    64    10
Direct configuration=  2362
   0.14887389  0.16365709 -0.02976781
   0.33456545  0.08548036  0.35576107
   0.12402784  0.41784018  0.10232436
   0.37055032  0.32978376  0.23562944
   0.07447214  0.13323395  0.48559225
   0.38714129  0.12912031  0.84707448
   0.10550221  0.40131198  0.62153908
   0.37613435  0.37881371  0.74486320
   0.14262095  0.69568503 -0.01195631
   0.40892390  0.57997262  0.35041968
   0.06087918  0.90258740  0.13903576
   0.31015862  0.82685369  0.23944573
   0.17014002  0.64054246  0.48484945
   0.37819809  0.63125883  0.86433508
   0.07455864  0.87943206  0.61608262
   0.35660712  0.97547979  0.67912424
   0.61428929  0.11635194  1.00452374
   0.82974196  0.10474297  0.33740636
   0.62259246  0.38564946  0.10801276
   0.87858420  0.28846823  0.16760239
   0.59025805  0.18113885  0.47858951
   0.86881929  0.08092518  0.88464265
   0.61228943  0.43976692  0.60757130
   0.75150601  0.35653432  0.79630789
   0.62401411  0.64890043 -0.00813573
   0.90111362  0.58726805  0.37446935
   0.55287975  0.87914289  0.12782942
   0.82414406  0.81883284  0.24616253
   0.63796364  0.66206546  0.45756075
   0.87558373  0.61511634  0.88980228
   0.61460004  0.92948970  0.60546416
   0.83387564  0.84938723  0.74366935
   0.07215549  0.07597440  0.14636510
   0.33056211  0.17415348  0.26272114
   0.09758380  0.32732564  0.00226587
   0.34717386  0.43219667  0.33312482
   0.51865323  0.33896457  0.19033195
   0.26784176  0.39324263  0.15488264
   0.21383482  0.09633128  0.43686410
  -0.04279950  0.13839650  0.40149698
   0.02529895  0.01433040  0.55463085
   0.46732854  0.24824699  0.79209436
   0.06592518  0.27089461  0.55344570
   0.33277514  0.47312293  0.84222681
   0.47872085  0.45312174  0.67923466
   0.24798991  0.33385343  0.68750294
   0.23802125  0.17377035 -0.12715349
  -0.00106282  0.09596627  0.95655727
   0.12214087  0.58662418  0.07314865
   0.36113722  0.67575783  0.25741322
   0.10188409  0.86066805  0.02502774
   0.35725101  0.92066103  0.33003385
   0.40283957  0.85961526  0.14876297
   0.15080748  0.83637473  0.22535176
   0.30805243  0.65853765  0.42661549
   0.03872748  0.64047734  0.41686804
   0.17450245  0.51671556  0.56397316
   0.34281047  0.70776319  0.76383738
   0.15315273  0.78082788  0.54440133
   0.40000831  0.97877421  0.79207683
   0.46448921  0.87634379  0.62813831
   0.20061330  0.90747893  0.69494322
   0.29828201  0.68832243 -0.04586639
   0.04094076  0.65002826  0.90261117
   0.57923598  0.03777968  0.10220672
   0.80972260  0.18961522  0.23913099
   0.64353647  0.27691655  0.02126116
   0.87024862  0.43124421  0.35966223
   0.01311014  0.37875607  0.18124651
   0.76081581  0.41430269  0.16162925
   0.68973670  0.15465434  0.39463677
   0.45305073  0.13627488  0.42594642
   0.62908210  0.08494704  0.56536635
   0.82174913  0.20635664  0.81829191
   0.59943726  0.33263419  0.52327892
   0.84106863  0.46722085  0.85372803
   1.01561984  0.45029265  0.70775255
   0.74652500  0.41700365  0.68011115
   0.75146068  0.03481061  0.95847361
   0.47929037  0.09498850  0.93661317
   0.56458149  0.53358894  0.06460376
   0.88093774  0.66726834  0.27088475
   0.59430830  0.80602749  0.02958510
   0.83530624  0.93471937  0.33495855
   0.91023186  0.86418711  0.15428930
   0.65549985  0.82356292  0.21739848
   0.79758796  0.66866045  0.45074556
   0.55868249  0.56223918  0.38400911
   0.62657128  0.59276023  0.56930537
   0.81853213  0.71713043  0.80150079
   0.55719771  0.80376363  0.44376363
   0.90631110  0.95170960  0.82084430
   0.94050342  0.81991722  0.66168818
   0.69357371  0.91753911  0.70488498
   0.78825429  0.63793156  0.98840473
   0.53662475  0.64414220  0.89446133
   0.69706428  0.82547678  0.54006166
   0.48511781  0.81572989  0.40236858
   0.87541236  0.19906458  0.08414077
   0.74177691  0.42218019  0.27657028
   0.34618122  0.11960871  0.64148885
   0.26974744  0.78307252  0.76689963
   0.15567763  1.10037261  0.18776731
   0.23639918  1.11283954  0.04639075
   0.62147163  0.36328012  0.84089150
   0.92699098  0.47772633  0.68350226
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.011817    0.255930   -0.192360
    -0.000000    9.726071   -0.073060
    -0.000000    0.000000   13.988948
   Si   O    H 
    32    64    10
Direct configuration=  2363
   0.14902171  0.16269039 -0.02965032
   0.33547490  0.08532811  0.35608344
   0.12448802  0.41737617  0.10273763
   0.37032523  0.33018492  0.23548783
   0.07410055  0.13456401  0.48531702
   0.38664781  0.13026858  0.84753827
   0.10638913  0.40025188  0.62217066
   0.37829966  0.38046873  0.74492647
   0.14260768  0.69704529 -0.01196005
   0.40844138  0.57935060  0.35082548
   0.06019034  0.90289884  0.13860622
   0.30998918  0.82862941  0.24004100
   0.17012595  0.63956186  0.48432606
   0.37739343  0.63141472  0.86335365
   0.07469081  0.87997268  0.61633350
   0.35545135  0.97369616  0.67895914
   0.61479195  0.11602516  1.00373567
   0.82916989  0.10480326  0.33646107
   0.62355526  0.38381169  0.10790432
   0.87788381  0.28783609  0.16753674
   0.58869915  0.18080802  0.47929908
   0.86978904  0.08042494  0.88524581
   0.61168042  0.43930186  0.60797579
   0.75061319  0.35610243  0.79751816
   0.62382410  0.64970813 -0.00861335
   0.90143674  0.58646817  0.37426344
   0.55375858  0.87948849  0.12742171
   0.82474560  0.81773782  0.24586017
   0.63635347  0.66233771  0.45840112
   0.87536118  0.61611064  0.89028985
   0.61524510  0.92949085  0.60489657
   0.83314063  0.84980176  0.74281038
   0.07102993  0.07743555  0.14658560
   0.33267581  0.17349800  0.26252754
   0.09855220  0.32781891  0.00199729
   0.34753695  0.43330055  0.33313419
   0.51797507  0.33896305  0.19063546
   0.26898283  0.39178812  0.15552990
   0.21382567  0.09702842  0.43653667
  -0.04177321  0.13899451  0.40211081
   0.02769889  0.01446228  0.55480446
   0.46937353  0.24813027  0.79042059
   0.06375695  0.26986877  0.55345783
   0.33309555  0.46952988  0.84309520
   0.47817854  0.45330590  0.67972260
   0.24765619  0.33244693  0.68771450
   0.23730272  0.17376570 -0.12612765
  -0.00093437  0.09574306  0.95659846
   0.12172216  0.58741615  0.07406994
   0.35886515  0.67495344  0.25706354
   0.10266055  0.85881305  0.02492265
   0.35534298  0.92096165  0.32979589
   0.40131351  0.86031991  0.14903136
   0.14951190  0.83715986  0.22662272
   0.30864003  0.66013187  0.42602445
   0.03880218  0.64035744  0.41597154
   0.17428382  0.51754833  0.56297326
   0.34328883  0.70691408  0.76340430
   0.15205999  0.78194882  0.54536188
   0.39989538  0.98011223  0.79272381
   0.46522549  0.87449764  0.63093400
   0.20110907  0.90670833  0.69682847
   0.29860198  0.68769094 -0.04524140
   0.04285102  0.64983330  0.90225157
   0.57874829  0.03775421  0.10226706
   0.81057127  0.18979007  0.23901735
   0.64355662  0.27851015  0.02144208
   0.87211075  0.43216307  0.36007014
   0.01163791  0.37849700  0.17902858
   0.76120052  0.41503602  0.16135404
   0.69014313  0.15559191  0.39485603
   0.45427610  0.13702770  0.42499596
   0.62935982  0.08481883  0.56528826
   0.82324686  0.20462419  0.81835736
   0.59956676  0.33262830  0.52311062
   0.84097901  0.46608488  0.85393095
   1.01529286  0.44872449  0.70734442
   0.74859741  0.41719410  0.68156018
   0.75338173  0.03492681  0.95752508
   0.48068511  0.09623600  0.93743873
   0.56499136  0.53210515  0.06493011
   0.87986338  0.66771540  0.27218862
   0.59443065  0.80774536  0.02935644
   0.83637909  0.93465584  0.33490263
   0.91050962  0.86352756  0.15278826
   0.65220347  0.82323399  0.21827365
   0.79697100  0.66620148  0.45003938
   0.55897595  0.56090938  0.38282473
   0.62455509  0.59252811  0.56800580
   0.81738840  0.71642467  0.80176324
   0.55874114  0.80503696  0.44418234
   0.90402663  0.95119460  0.82141201
   0.94122755  0.82022226  0.66089063
   0.69418361  0.91717537  0.70394887
   0.78775345  0.63843538  0.98816750
   0.53542311  0.64367814  0.89434243
   0.69385025  0.83051018  0.54165204
   0.48157872  0.80972082  0.40046317
   0.87747511  0.19803895  0.08200316
   0.74238513  0.42146669  0.26988195
   0.34804949  0.11957007  0.64803654
   0.26147570  0.78884851  0.77220192
   0.15122736  1.09576222  0.18523399
   0.23247712  1.12123598  0.04513527
   0.62912822  0.37240962  0.84052937
   0.92670049  0.47994148  0.68542343
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.012496    0.251032   -0.194235
    -0.000000    9.724643   -0.071988
    -0.000000    0.000000   13.991673
   Si   O    H 
    32    64    10
Direct configuration=  2364
   0.14870393  0.16281513 -0.02970887
   0.33596076  0.08461886  0.35697388
   0.12500367  0.41763718  0.10283923
   0.36980830  0.33057292  0.23550440
   0.07388996  0.13499667  0.48498193
   0.38608125  0.13107502  0.84810156
   0.10767134  0.39919528  0.62334960
   0.38012788  0.38205337  0.74536431
   0.14230096  0.69872165 -0.01180069
   0.40755359  0.57946304  0.35096401
   0.05915563  0.90382497  0.13783422
   0.30995199  0.83003017  0.24075378
   0.17067528  0.63924030  0.48391891
   0.37664055  0.63109736  0.86268730
   0.07500564  0.88046354  0.61692229
   0.35415700  0.97165148  0.67923190
   0.61507502  0.11646793  1.00264398
   0.82879951  0.10498921  0.33623916
   0.62428790  0.38178939  0.10827501
   0.87718053  0.28749384  0.16723520
   0.58741852  0.18028836  0.47975006
   0.87069105  0.08023123  0.88632630
   0.61066652  0.43987492  0.60876807
   0.74982724  0.35606989  0.79851856
   0.62427215  0.65002838 -0.00874214
   0.90111420  0.58603374  0.37376560
   0.55501964  0.87964006  0.12737793
   0.82487577  0.81771356  0.24563590
   0.63508051  0.66186820  0.45907966
   0.87490847  0.61706969  0.89046652
   0.61617313  0.92942425  0.60381097
   0.83278133  0.85074540  0.74183727
   0.06931300  0.07842804  0.14701264
   0.33441773  0.17282822  0.26196635
   0.09954970  0.32765103  0.00167892
   0.34797701  0.43340956  0.33344864
   0.51867166  0.33883621  0.19101963
   0.26981572  0.39062879  0.15602523
   0.21443617  0.09795749  0.43613091
  -0.04114526  0.13902030  0.40276509
   0.02907509  0.01373875  0.55504639
   0.47049058  0.24852569  0.78865813
   0.06210015  0.26906603  0.55430025
   0.33360153  0.46637881  0.84357826
   0.47881263  0.45334892  0.67938237
   0.24735957  0.33217332  0.68754043
   0.23638914  0.17347051 -0.12464604
  -0.00101111  0.09623972  0.95689782
   0.12131045  0.58819390  0.07457925
   0.35737538  0.67402497  0.25742746
   0.10357489  0.85693583  0.02543286
   0.35412678  0.92162106  0.32955448
   0.39988208  0.86126940  0.14903035
   0.14856779  0.83761614  0.22742487
   0.30968640  0.66136731  0.42564536
   0.03953577  0.63946074  0.41521058
   0.17407891  0.51821516  0.56178746
   0.34318824  0.70616436  0.76337293
   0.15097236  0.78232708  0.54624512
   0.39916598  0.98160549  0.79326018
   0.46475664  0.87307587  0.63375456
   0.20128530  0.90658353  0.69824014
   0.29887263  0.68759526 -0.04551466
   0.04414145  0.64974449  0.90198218
   0.57857237  0.03788176  0.10197914
   0.81167678  0.19001425  0.23922760
   0.64351593  0.28053686  0.02163442
   0.87339495  0.43177775  0.36060470
   0.01041099  0.37844229  0.17672746
   0.76272646  0.41509778  0.16116483
   0.69038090  0.15667468  0.39465986
   0.45625069  0.13809693  0.42439546
   0.62962180  0.08462498  0.56531091
   0.82476995  0.20335727  0.81848342
   0.59958423  0.33262637  0.52330225
   0.84137627  0.46478337  0.85406906
   1.01531613  0.44741390  0.70694713
   0.74971633  0.41695829  0.68284630
   0.75486281  0.03523467  0.95670827
   0.48209087  0.09803886  0.93847396
   0.56617487  0.53148542  0.06544710
   0.87894018  0.66800456  0.27266511
   0.59536057  0.80958778  0.02925585
   0.83706550  0.93474728  0.33448082
   0.90997934  0.86250833  0.15133462
   0.64867399  0.82223393  0.21933420
   0.79537714  0.66369827  0.44845427
   0.55991949  0.55923532  0.38220521
   0.62279802  0.59212731  0.56612764
   0.81601222  0.71561918  0.80220086
   0.55991308  0.80570691  0.44454518
   0.90144937  0.95008524  0.82145481
   0.94265713  0.82008848  0.65975852
   0.69518552  0.91636335  0.70401110
   0.78753039  0.63886910  0.98775978
   0.53498811  0.64294317  0.89471230
   0.69376867  0.83619356  0.54771992
   0.47669357  0.80825755  0.39711714
   0.87923557  0.19753104  0.07885279
   0.75068401  0.42400914  0.26682869
   0.34770828  0.12126078  0.65044788
   0.26037080  0.78548949  0.77510659
   0.14778935  1.09361795  0.18179857
   0.23167980  1.12545168  0.04599392
   0.63173416  0.37898043  0.84282388
   0.92490215  0.48179266  0.69000249
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013125    0.246014   -0.195473
    -0.000000    9.723408   -0.070650
    -0.000000    0.000000   13.994099
   Si   O    H 
    32    64    10
Direct configuration=  2365
   0.14830006  0.16337226 -0.02962015
   0.33577442  0.08370282  0.35816300
   0.12541924  0.41768207  0.10260198
   0.36996873  0.33110116  0.23559035
   0.07267789  0.13553986  0.48480855
   0.38564618  0.13206073  0.84845193
   0.10948577  0.39808187  0.62420276
   0.38203558  0.38249081  0.74581716
   0.14230283  0.69963348 -0.01211911
   0.40684263  0.57948579  0.35067115
   0.05871680  0.90526464  0.13662570
   0.31016673  0.83095653  0.24144244
   0.17156936  0.63931252  0.48335965
   0.37605734  0.63103771  0.86203822
   0.07554562  0.88111532  0.61744271
   0.35212708  0.96977302  0.67952561
   0.61566672  0.11731726  1.00163967
   0.82795663  0.10499028  0.33630515
   0.62428906  0.38035298  0.10873258
   0.87715304  0.28703431  0.16632398
   0.58681895  0.17864662  0.48018381
   0.87173456  0.07990774  0.88767938
   0.61056161  0.44112284  0.60995534
   0.75008154  0.35600329  0.79938749
   0.62460244  0.65051113 -0.00863148
   0.90079655  0.58515670  0.37347004
   0.55604480  0.88004933  0.12710491
   0.82429147  0.81803191  0.24488040
   0.63410928  0.66120679  0.45989356
   0.87435526  0.61825836  0.89040241
   0.61673133  0.92960150  0.60269968
   0.83295754  0.85213874  0.74077645
   0.06771665  0.07908783  0.14757169
   0.33568753  0.17266696  0.26102713
   0.10062168  0.32741265  0.00136305
   0.34862994  0.43272613  0.33319804
   0.51913770  0.33897168  0.19144023
   0.27039049  0.38895355  0.15611595
   0.21576647  0.09850167  0.43540906
  -0.04025347  0.13950689  0.40341193
   0.02996215  0.01391508  0.55577393
   0.47091587  0.24866691  0.78686026
   0.05988404  0.26923138  0.55535148
   0.33384077  0.46363718  0.84396914
   0.48038761  0.45515251  0.67888058
   0.24715483  0.33217406  0.68706590
   0.23537190  0.17322220 -0.12346862
  -0.00041063  0.09645588  0.95697695
   0.12070833  0.58923972  0.07455064
   0.35614677  0.67334891  0.25896956
   0.10418644  0.85574712  0.02604643
   0.35369030  0.92282205  0.32903738
   0.39837923  0.86222557  0.14887274
   0.14721869  0.83763282  0.22782750
   0.31078121  0.66288315  0.42586973
   0.04039646  0.63886775  0.41452297
   0.17379160  0.51836237  0.56101752
   0.34302725  0.70601788  0.76354745
   0.15122440  0.78236644  0.54681229
   0.39835799  0.98358186  0.79414341
   0.46447870  0.87207113  0.63642178
   0.20094057  0.90710823  0.69931730
   0.29857182  0.68802874 -0.04534242
   0.04398716  0.64971759  0.90166118
   0.57884386  0.03906965  0.10123550
   0.81249118  0.19013079  0.23909057
   0.64357047  0.28228814  0.02113046
   0.87374599  0.43089818  0.36191432
   0.00946486  0.37807154  0.17438039
   0.76436329  0.41503733  0.16096355
   0.69149897  0.15773893  0.39423357
   0.45764882  0.13871602  0.42395276
   0.62959663  0.08440752  0.56544287
   0.82553777  0.20286136  0.81841614
   0.59917293  0.33272767  0.52366054
   0.84185950  0.46315469  0.85422078
   1.01512000  0.44649831  0.70667510
   0.75069395  0.41642769  0.68314176
   0.75445787  0.03652751  0.95606238
   0.48346234  0.09973475  0.93898114
   0.56736023  0.53127373  0.06541515
   0.87773354  0.66934314  0.27306349
   0.59610290  0.81071351  0.02871376
   0.83761777  0.93418291  0.33361004
   0.90825556  0.86209300  0.15023384
   0.64576301  0.82108882  0.22036103
   0.79448443  0.66149676  0.44684060
   0.56130926  0.55778049  0.38174189
   0.62149594  0.59151006  0.56445011
   0.81390690  0.71405471  0.80307904
   0.55981918  0.80704584  0.44418528
   0.89934675  0.94899739  0.82138500
   0.94352602  0.81986799  0.65902631
   0.69606047  0.91604955  0.70440222
   0.78820375  0.63965010  0.98693384
   0.53488253  0.64207540  0.89500693
   0.69410576  0.84036459  0.55271343
   0.48062580  0.80931638  0.40113672
   0.88164552  0.19893581  0.07712870
   0.76288988  0.42906115  0.26883097
   0.34963575  0.11687576  0.65191635
   0.27031862  0.77401016  0.77458038
   0.15773121  1.09649522  0.18054588
   0.23604701  1.12330586  0.04987617
   0.62612704  0.38116833  0.84480773
   0.92356912  0.48027591  0.69461371
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013209    0.240633   -0.196334
    -0.000000    9.722476   -0.069934
    -0.000000    0.000000   13.996801
   Si   O    H 
    32    64    10
Direct configuration=  2366
   0.14765648  0.16440840 -0.02927889
   0.33565531  0.08298763  0.35911243
   0.12583235  0.41751119  0.10219453
   0.37017171  0.33239061  0.23554376
   0.07141898  0.13605445  0.48509354
   0.38544762  0.13303899  0.84885674
   0.11146525  0.39711155  0.62483342
   0.38307235  0.38199206  0.74656917
   0.14260887  0.69978531 -0.01194848
   0.40596616  0.57895220  0.35010844
   0.05844114  0.90700267  0.13540839
   0.31024654  0.83136902  0.24203973
   0.17227294  0.63978969  0.48284916
   0.37614130  0.63037774  0.86137115
   0.07624800  0.88210255  0.61812753
   0.34990299  0.96840921  0.67975483
   0.61576965  0.11709936  1.00091795
   0.82577752  0.10488321  0.33675708
   0.62399127  0.37921542  0.10928258
   0.87668058  0.28701967  0.16512735
   0.58665144  0.17707752  0.48065189
   0.87288186  0.07996159  0.88883822
   0.61074007  0.44244988  0.61163918
   0.75003975  0.35593709  0.79964426
   0.62462681  0.65060058 -0.00849462
   0.89991219  0.58483089  0.37329473
   0.55728163  0.88047820  0.12652962
   0.82356905  0.81835414  0.24423652
   0.63411690  0.66028981  0.46061448
   0.87395486  0.61864914  0.89005297
   0.61686101  0.92985346  0.60174957
   0.83370494  0.85299799  0.74032631
   0.06647716  0.07951064  0.14828942
   0.33687677  0.17309421  0.26029759
   0.10157151  0.32771231  0.00126544
   0.34931937  0.43057345  0.33243568
   0.51950127  0.33912508  0.19156207
   0.26982233  0.38686419  0.15565596
   0.21664558  0.09791875  0.43480003
  -0.03948018  0.13992998  0.40376999
   0.02987795  0.01356531  0.55683467
   0.47172718  0.24836566  0.78533937
   0.05750528  0.26966557  0.55657160
   0.33445573  0.46218205  0.84404627
   0.48170302  0.45721349  0.67773589
   0.24703452  0.33212653  0.68622803
   0.23535284  0.17337787 -0.12259707
   0.00086269  0.09628729  0.95763443
   0.12115910  0.58961330  0.07443387
   0.35590345  0.67216360  0.26031734
   0.10441096  0.85486940  0.02695662
   0.35346566  0.92425500  0.32892273
   0.39623802  0.86437719  0.14869979
   0.14555121  0.83716940  0.22764406
   0.31159562  0.66300896  0.42619613
   0.04163124  0.63887459  0.41435386
   0.17358965  0.51831760  0.56027884
   0.34286826  0.70557499  0.76397737
   0.15247416  0.78134841  0.54683794
   0.39782197  0.98567924  0.79503378
   0.46448597  0.87071228  0.63813104
   0.20066252  0.90709337  0.69978133
   0.29809967  0.68855473 -0.04562494
   0.04388756  0.64988341  0.90160179
   0.57877093  0.04062723  0.10099754
   0.81450251  0.18967643  0.23940737
   0.64360737  0.28398165  0.02051621
   0.87297166  0.43026643  0.36248898
   0.00871460  0.37764369  0.17242796
   0.76517402  0.41539542  0.16133389
   0.69363605  0.15883714  0.39403386
   0.45788444  0.13985813  0.42284020
   0.62905614  0.08436408  0.56595231
   0.82661142  0.20239549  0.81815939
   0.59809273  0.33261431  0.52416462
   0.84312936  0.46261460  0.85460023
   1.01472394  0.44611182  0.70707990
   0.75045185  0.41518802  0.68356228
   0.75352066  0.03813648  0.95565403
   0.48391536  0.10171821  0.93969051
   0.56815207  0.53118901  0.06498827
   0.87675492  0.67041754  0.27292223
   0.59725156  0.81164019  0.02807455
   0.83857664  0.93389697  0.33319001
   0.90580450  0.86186786  0.14991272
   0.64319439  0.81857619  0.22173089
   0.79318952  0.65838448  0.44516351
   0.56257627  0.55567917  0.38083005
   0.62044183  0.59140210  0.56300522
   0.81184164  0.71305237  0.80443660
   0.55957462  0.80884561  0.44380197
   0.89786150  0.94785764  0.82186906
   0.94437674  0.81967786  0.65847066
   0.69732954  0.91652173  0.70503248
   0.78850905  0.64081183  0.98638196
   0.53414508  0.64078688  0.89481607
   0.70178875  0.83907955  0.55569802
   0.48512753  0.81025047  0.40570891
   0.88194052  0.20351497  0.07655561
   0.78209137  0.43707098  0.27408592
   0.34897536  0.11280506  0.65032090
   0.27845569  0.76318235  0.77225607
   0.16247156  1.10260843  0.17807308
   0.23823311  1.11982090  0.05249285
   0.61625690  0.38146848  0.84563319
   0.92208392  0.47611040  0.70150136
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013444    0.235208   -0.196902
    -0.000000    9.721657   -0.068839
    -0.000000    0.000000   13.999324
   Si   O    H 
    32    64    10
Direct configuration=  2367
   0.14705551  0.16540059 -0.02831303
   0.33555234  0.08237806  0.35965785
   0.12683677  0.41677519  0.10188839
   0.37059920  0.33410128  0.23557239
   0.07012040  0.13643727  0.48505011
   0.38556716  0.13384664  0.84916437
   0.11328933  0.39667203  0.62578241
   0.38398614  0.38171846  0.74674389
   0.14240477  0.69913890 -0.01181554
   0.40522591  0.57810988  0.34974563
   0.05835248  0.90927686  0.13445242
   0.30986034  0.83112522  0.24222200
   0.17309846  0.64049096  0.48203252
   0.37662420  0.62964484  0.86087449
   0.07732202  0.88207218  0.61883273
   0.34771913  0.96715566  0.68020113
   0.61604766  0.11662697  0.99995402
   0.82418900  0.10435114  0.33720012
   0.62371948  0.37882826  0.10952629
   0.87643212  0.28633543  0.16340669
   0.58714673  0.17651086  0.48101881
   0.87364861  0.07931323  0.88996425
   0.61106670  0.44339107  0.61311513
   0.74986249  0.35663427  0.79961222
   0.62449721  0.65053503 -0.00857507
   0.89880207  0.58514563  0.37287640
   0.55802622  0.88087168  0.12624687
   0.82216485  0.81894853  0.24307876
   0.63427533  0.65984491  0.46112400
   0.87446640  0.61894486  0.88994492
   0.61687040  0.93014384  0.60077201
   0.83446225  0.85314873  0.74013040
   0.06613149  0.07943487  0.14963337
   0.33704135  0.17285601  0.25974061
   0.10323794  0.32855455  0.00105742
   0.35013834  0.42830295  0.33119644
   0.52004277  0.33844936  0.19141470
   0.26916178  0.38514636  0.15550420
   0.21740663  0.09749613  0.43438996
  -0.03850342  0.14015082  0.40408968
   0.03047361  0.01327989  0.55712809
   0.47230352  0.24767118  0.78371233
   0.05607101  0.27119993  0.55802436
   0.33538626  0.46065015  0.84416451
   0.48320710  0.45894381  0.67675237
   0.24723584  0.33174454  0.68507863
   0.23552121  0.17262764 -0.12220246
   0.00157734  0.09635169  0.95804359
   0.12204237  0.58907483  0.07458107
   0.35595127  0.67137711  0.26118971
   0.10487085  0.85420249  0.02789058
   0.35313219  0.92553508  0.32939582
   0.39359757  0.86661630  0.14865123
   0.14438782  0.83687621  0.22754046
   0.31237020  0.66348033  0.42696928
   0.04239448  0.63879722  0.41402258
   0.17400520  0.51822424  0.55938951
   0.34496435  0.70309158  0.76402026
   0.15435349  0.77987212  0.54631050
   0.39725720  0.98830626  0.79580776
   0.46465640  0.86989932  0.63930121
   0.19978512  0.90704669  0.69994177
   0.29743587  0.68942181 -0.04597277
   0.04269505  0.64992207  0.90120125
   0.57862227  0.04222883  0.10031207
   0.81618080  0.18863334  0.23953784
   0.64302705  0.28428592  0.01946079
   0.87096619  0.42904939  0.36262345
   0.00829379  0.37778630  0.17139426
   0.76602891  0.41682278  0.16179635
   0.69615528  0.16003504  0.39398480
   0.45795522  0.14091230  0.42155260
   0.62872982  0.08396229  0.56675097
   0.82699135  0.20303502  0.81794752
   0.59673832  0.33234906  0.52424271
   0.84468298  0.46275222  0.85473425
   1.01460889  0.44566641  0.70757340
   0.75034814  0.41341205  0.68410196
   0.75187099  0.04028603  0.95609402
   0.48403906  0.10395444  0.93997244
   0.56904439  0.53120744  0.06493915
   0.87578114  0.67116613  0.27298935
   0.59893510  0.81131312  0.02697305
   0.83927536  0.93365945  0.33241688
   0.90324162  0.86208036  0.15002366
   0.64172059  0.81598213  0.22346069
   0.79195965  0.65599686  0.44352814
   0.56346008  0.55359194  0.37943017
   0.61974172  0.59236545  0.56182104
   0.80985334  0.71195419  0.80552930
   0.56004936  0.81059950  0.44364980
   0.89642632  0.94680873  0.82206256
   0.94446790  0.81926479  0.65858787
   0.69879442  0.91779670  0.70556989
   0.78915724  0.64210986  0.98537596
   0.53315240  0.63976006  0.89446538
   0.71253987  0.83183703  0.55660258
   0.47766054  0.81224955  0.40372162
   0.87920635  0.21145263  0.07746057
   0.80785391  0.44462355  0.28436001
   0.34685785  0.10663900  0.65016475
   0.25718426  0.77879484  0.77130302
   0.15414950  1.10659734  0.17387515
   0.23727180  1.11756039  0.05066856
   0.60721588  0.37890542  0.84427846
   0.91787741  0.47163399  0.70588655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013715    0.229472   -0.197495
    -0.000000    9.720921   -0.067801
    -0.000000    0.000000   14.001573
   Si   O    H 
    32    64    10
Direct configuration=  2368
   0.14705707  0.16717760 -0.02694432
   0.33557378  0.08202862  0.36064843
   0.12776458  0.41662503  0.10159513
   0.37118490  0.33528283  0.23558036
   0.06929433  0.13649062  0.48556776
   0.38648660  0.13484013  0.84939455
   0.11571099  0.39620171  0.62645965
   0.38469372  0.38148588  0.74676440
   0.14208127  0.69851768 -0.01164677
   0.40525525  0.57734615  0.34972170
   0.05848203  0.91053736  0.13348863
   0.30973759  0.82975562  0.24196187
   0.17367858  0.64148948  0.48146560
   0.37740866  0.62833640  0.86076029
   0.07821001  0.88285648  0.61977029
   0.34661832  0.96583675  0.68068125
   0.61632700  0.11591337  0.99901826
   0.82343942  0.10455971  0.33798460
   0.62331290  0.37920532  0.10939276
   0.87652032  0.28546386  0.16149664
   0.58763618  0.17613558  0.48092436
   0.87454891  0.07834053  0.89093824
   0.61205782  0.44434526  0.61482573
   0.74992273  0.35650177  0.79968173
   0.62435004  0.65082115 -0.00867426
   0.89764176  0.58508862  0.37280791
   0.55894812  0.88180064  0.12589395
   0.82057569  0.81950613  0.24163421
   0.63403564  0.65874452  0.46132884
   0.87447413  0.61935955  0.88980538
   0.61661575  0.92889240  0.60029248
   0.83542378  0.85288620  0.74020634
   0.06603583  0.07929670  0.15088521
   0.33662333  0.17217821  0.25913674
   0.10475615  0.32916826  0.00089339
   0.35042414  0.42562726  0.32956856
   0.52073273  0.33834414  0.19100707
   0.26827329  0.38297065  0.15556492
   0.21815993  0.09756970  0.43405724
  -0.03890892  0.13956515  0.40385400
   0.03060458  0.01352768  0.55729383
   0.47247034  0.24633116  0.78214407
   0.05466453  0.27194297  0.55888940
   0.33729074  0.45999013  0.84439096
   0.48401748  0.46152658  0.67523702
   0.24807257  0.33101896  0.68378937
   0.23584419  0.17255411 -0.12185945
   0.00218058  0.09527004  0.95834214
   0.12304504  0.58849855  0.07475362
   0.35609169  0.67107849  0.26088927
   0.10499013  0.85392883  0.02848944
   0.35304663  0.92672229  0.32967778
   0.39143748  0.86858817  0.14848605
   0.14348648  0.83760816  0.22735165
   0.31292936  0.66373240  0.42804651
   0.04378956  0.63886473  0.41383963
   0.17423669  0.51804853  0.55889415
   0.34582327  0.70095870  0.76367594
   0.15501547  0.77833409  0.54597046
   0.39720212  0.99090766  0.79649580
   0.46485336  0.86917468  0.64026059
   0.19896043  0.90743656  0.69999449
   0.29657006  0.69007352 -0.04593807
   0.04155814  0.64983550  0.90072008
   0.57834215  0.04433623  0.09998008
   0.81767625  0.18754500  0.23991396
   0.64295626  0.28388335  0.01791911
   0.86861829  0.42701434  0.36188757
   0.00821850  0.37788078  0.17073633
   0.76731165  0.41805885  0.16175069
   0.69880379  0.16213859  0.39388003
   0.45726791  0.14160938  0.42087612
   0.62816740  0.08329347  0.56773831
   0.82756265  0.20437350  0.81770380
   0.59531972  0.33243955  0.52452802
   0.84584968  0.46284496  0.85470333
   1.01487978  0.44564880  0.70803050
   0.74932310  0.41166174  0.68454365
   0.74973725  0.04252942  0.95668666
   0.48429702  0.10568333  0.93989959
   0.56953850  0.53202898  0.06510090
   0.87537020  0.67226845  0.27308709
   0.60103135  0.81079297  0.02554348
   0.83997340  0.93363839  0.33166216
   0.90100934  0.86184828  0.14991816
   0.64122851  0.81451030  0.22519346
   0.79064104  0.65361553  0.44210729
   0.56413812  0.55154357  0.37798512
   0.61912610  0.59228651  0.56097433
   0.80806234  0.71102141  0.80631680
   0.55971977  0.81258012  0.44332601
   0.89640147  0.94595098  0.82256553
   0.94359061  0.81931753  0.65879129
   0.70034991  0.91901723  0.70618485
   0.78862902  0.64354025  0.98380746
   0.53240344  0.63896783  0.89344764
   0.71882747  0.82404340  0.55645156
   0.47217052  0.81701111  0.40088272
   0.87877292  0.21776883  0.07438141
   0.83636190  0.44535896  0.29809956
   0.34786230  0.10545896  0.64683068
   0.24858477  0.78637618  0.76994387
   0.14621815  1.10986827  0.16991854
   0.23760530  1.11587481  0.04714044
   0.60891310  0.37458299  0.83901895
   0.91695602  0.46361519  0.70758059
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013818    0.223448   -0.198093
    -0.000000    9.719873   -0.066024
    -0.000000    0.000000   14.003683
   Si   O    H 
    32    64    10
Direct configuration=  2369
   0.14664315  0.16939053 -0.02592870
   0.33571890  0.08238058  0.36170148
   0.12844178  0.41679182  0.10085224
   0.37233467  0.33602128  0.23547704
   0.06892140  0.13677636  0.48578721
   0.38820924  0.13544325  0.84952228
   0.11791473  0.39590819  0.62725809
   0.38462294  0.38183233  0.74655818
   0.14097870  0.69788264 -0.01172106
   0.40461658  0.57656632  0.34962223
   0.05870906  0.91144358  0.13258145
   0.30990586  0.82848270  0.24135986
   0.17386451  0.64209581  0.48102271
   0.37818030  0.62723556  0.86086343
   0.07950806  0.88305321  0.62064974
   0.34606864  0.96480004  0.68174043
   0.61706944  0.11507173  0.99848930
   0.82338622  0.10446173  0.33898161
   0.62326863  0.38013215  0.10943419
   0.87703706  0.28530611  0.15978380
   0.58831044  0.17607465  0.48098921
   0.87501682  0.07784202  0.89143045
   0.61346415  0.44569586  0.61641451
   0.75018120  0.35552189  0.80010246
   0.62462307  0.65050204 -0.00933312
   0.89691825  0.58579082  0.37323078
   0.55920316  0.88262420  0.12595430
   0.81831641  0.81958751  0.24041185
   0.63331309  0.65775439  0.46148433
   0.87477197  0.61929573  0.88988236
   0.61652839  0.92747885  0.60020911
   0.83612805  0.85275121  0.74073686
   0.06507845  0.07933156  0.15082081
   0.33577164  0.17206533  0.25862483
   0.10604087  0.32937727  0.00095242
   0.35047430  0.42335700  0.32824463
   0.52083645  0.33890546  0.19113864
   0.26721627  0.38114230  0.15511079
   0.21758194  0.09826479  0.43377470
  -0.04016291  0.13953458  0.40312104
   0.03021572  0.01447292  0.55738266
   0.47156637  0.24466885  0.77999725
   0.05308535  0.27210469  0.55914897
   0.33930022  0.45969805  0.84482837
   0.48490637  0.46416003  0.67437607
   0.24874368  0.33038494  0.68241406
   0.23580382  0.17300993 -0.12158622
   0.00296534  0.09449607  0.95854446
   0.12401869  0.58798521  0.07495164
   0.35650605  0.67098689  0.26053277
   0.10438691  0.85397809  0.02961452
   0.35267394  0.92811167  0.32948836
   0.38965167  0.87064022  0.14831965
   0.14349866  0.83793466  0.22660548
   0.31338704  0.66372665  0.42894250
   0.04542295  0.63834035  0.41324325
   0.17421258  0.51768448  0.55812917
   0.34599421  0.69963390  0.76282067
   0.15472278  0.77702692  0.54555057
   0.39704624  0.99267170  0.79634274
   0.46555151  0.86845258  0.64085743
   0.19794103  0.90776514  0.69984515
   0.29563906  0.69032892 -0.04661014
   0.04067755  0.64986008  0.89997627
   0.57814401  0.04726528  0.10030402
   0.81929393  0.18642468  0.24044544
   0.64337793  0.28245241  0.01620894
   0.86663184  0.42478884  0.36141402
   0.00841688  0.37805736  0.17039852
   0.76884704  0.41947406  0.16209942
   0.69960768  0.16451247  0.39448614
   0.45700940  0.14212864  0.42075612
   0.62891549  0.08296012  0.56854981
   0.82759358  0.20651466  0.81726224
   0.59378537  0.33259340  0.52477332
   0.84777909  0.46231690  0.85475813
   1.01424605  0.44526387  0.70877145
   0.74766995  0.40999968  0.68508882
   0.74753782  0.04519188  0.95749565
   0.48396702  0.10739241  0.93930798
   0.57061925  0.53294246  0.06537320
   0.87542449  0.67303693  0.27324059
   0.60266038  0.81065580  0.02435116
   0.84110718  0.93328382  0.33106880
   0.89852779  0.86250319  0.14941243
   0.64075664  0.81381777  0.22644440
   0.78959434  0.65050403  0.44153529
   0.56501416  0.55036124  0.37656508
   0.61930517  0.59172549  0.56053076
   0.80638767  0.71042499  0.80747875
   0.55877390  0.81516425  0.44239960
   0.89693064  0.94517238  0.82345221
   0.94354013  0.81904709  0.65914695
   0.70055188  0.91996919  0.70652806
   0.78842660  0.64482276  0.98295358
   0.53174625  0.63835539  0.89304887
   0.71825615  0.82215160  0.55798590
   0.47649312  0.81980707  0.40188413
   0.87503986  0.21836850  0.06854548
   0.86031511  0.44081391  0.30319047
   0.34465229  0.10949686  0.64055611
   0.25034654  0.78444885  0.76817431
   0.15241757  1.11958481  0.17256295
   0.23961415  1.11493108  0.04404170
   0.61707286  0.37320459  0.83406837
   0.91821514  0.45473022  0.70574327
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013630    0.218081   -0.198391
    -0.000000    9.718927   -0.064156
    -0.000000    0.000000   14.005784
   Si   O    H 
    32    64    10
Direct configuration=  2370
   0.14636144  0.17148128 -0.02509000
   0.33527608  0.08329269  0.36243948
   0.12921904  0.41777872  0.09998445
   0.37385342  0.33618812  0.23513076
   0.06857385  0.13676433  0.48591554
   0.38996121  0.13590799  0.84977026
   0.12016004  0.39511677  0.62770870
   0.38425089  0.38213439  0.74568129
   0.13974193  0.69701937 -0.01200279
   0.40395667  0.57627353  0.34974139
   0.05893354  0.91213908  0.13220685
   0.31009387  0.82675090  0.24055821
   0.17380856  0.64188052  0.48072356
   0.37900407  0.62688229  0.86168693
   0.08106411  0.88370073  0.62135992
   0.34610696  0.96359511  0.68328090
   0.61749795  0.11446098  0.99815253
   0.82367586  0.10435123  0.33986350
   0.62276039  0.38147304  0.10951665
   0.87748647  0.28541840  0.15831908
   0.58932751  0.17631846  0.48081206
   0.87518516  0.07770821  0.89156234
   0.61445657  0.44673277  0.61770498
   0.75046640  0.35497126  0.80054787
   0.62462211  0.64993718 -0.00996838
   0.89651303  0.58680301  0.37321657
   0.55923417  0.88331613  0.12631033
   0.81589647  0.81968982  0.23960752
   0.63232633  0.65737400  0.46146768
   0.87489391  0.61868230  0.88959926
   0.61648962  0.92583489  0.60094146
   0.83676561  0.85244218  0.74124988
   0.06434147  0.07928021  0.15070618
   0.33547709  0.17198089  0.25810526
   0.10704682  0.32928856  0.00120140
   0.35115568  0.42171009  0.32674624
   0.52078006  0.33967604  0.19091759
   0.26546292  0.37958216  0.15438573
   0.21611774  0.09908366  0.43375508
  -0.04251764  0.13931540  0.40176059
   0.03025304  0.01569653  0.55773772
   0.46983143  0.24363981  0.77810417
   0.05188105  0.27238675  0.55864555
   0.34145143  0.45922461  0.84479971
   0.48619580  0.46762216  0.67413452
   0.25006677  0.33077263  0.68136362
   0.23574493  0.17328289 -0.12108505
   0.00382458  0.09430554  0.95882843
   0.12416902  0.58706682  0.07522069
   0.35698810  0.67045647  0.26021319
   0.10447993  0.85384394  0.03070014
   0.35235597  0.92821285  0.32868340
   0.38789667  0.87313801  0.14840365
   0.14461256  0.83973154  0.22542367
   0.31373299  0.66431144  0.42990879
   0.04649717  0.63769932  0.41225978
   0.17343916  0.51811781  0.55728546
   0.34594737  0.69878928  0.76247268
   0.15456652  0.77690545  0.54515704
   0.39617853  0.99364470  0.79617515
   0.46608481  0.86808288  0.64090703
   0.19662268  0.90812242  0.69958405
   0.29458321  0.68987532 -0.04717604
   0.04033813  0.65000218  0.89935496
   0.57862465  0.04959924  0.10082588
   0.82106606  0.18439478  0.24076220
   0.64338611  0.28149898  0.01431523
   0.86562483  0.42207889  0.36278857
   0.00891025  0.37863108  0.17034373
   0.77000215  0.41958210  0.16245122
   0.70055075  0.16695018  0.39579930
   0.45724336  0.14277023  0.42083617
   0.62928452  0.08283265  0.56877532
   0.82820495  0.20808385  0.81773872
   0.59275398  0.33319363  0.52525210
   0.84843533  0.46275997  0.85474643
   1.01405320  0.44509278  0.70938162
   0.74543805  0.40808152  0.68537907
   0.74519454  0.04693574  0.95799188
   0.48342136  0.10903398  0.93852574
   0.57135924  0.53351511  0.06594586
   0.87582932  0.67370164  0.27309343
   0.60362872  0.80939407  0.02336688
   0.84217899  0.93280425  0.33020416
   0.89683676  0.86376803  0.14773519
   0.64103106  0.81346202  0.22745662
   0.78831863  0.64836870  0.44157131
   0.56553466  0.54962083  0.37548434
   0.61946287  0.59012962  0.56048967
   0.80512554  0.71038082  0.80784846
   0.55850131  0.81731412  0.44183042
   0.89772500  0.94459436  0.82446890
   0.94451282  0.81898992  0.65984155
   0.70087982  0.92165479  0.70678230
   0.78838069  0.64634765  0.98193167
   0.53109088  0.63809169  0.89295789
   0.71297786  0.82169819  0.56047982
   0.48086598  0.82339570  0.40437414
   0.87493441  0.21698313  0.06116636
   0.87589412  0.43483354  0.27916460
   0.34140357  0.11084780  0.63386258
   0.26149071  0.77224089  0.76538905
   0.15239377  1.12835878  0.17678042
   0.24075324  1.11098286  0.03893377
   0.62530236  0.37214607  0.83345922
   0.91699970  0.44635501  0.70054686
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013819    0.212535   -0.198699
    -0.000000    9.717979   -0.062108
    -0.000000    0.000000   14.007574
   Si   O    H 
    32    64    10
Direct configuration=  2371
   0.14614074  0.17288863 -0.02451945
   0.33440829  0.08366302  0.36285920
   0.12938173  0.41901580  0.09919704
   0.37515785  0.33596534  0.23461359
   0.06834032  0.13656665  0.48606372
   0.39131323  0.13634411  0.84960541
   0.12140303  0.39480476  0.62829045
   0.38379226  0.38227364  0.74492648
   0.13853719  0.69637880 -0.01214433
   0.40365519  0.57645608  0.35010052
   0.05915449  0.91325257  0.13218775
   0.31028045  0.82542149  0.23975386
   0.17367026  0.64165385  0.48046306
   0.37990916  0.62678396  0.86277021
   0.08255019  0.88434339  0.62154970
   0.34647841  0.96280432  0.68439539
   0.61779188  0.11403850  0.99795772
   0.82371580  0.10402444  0.34091338
   0.62311099  0.38318914  0.10958690
   0.87775112  0.28507058  0.15693564
   0.59042857  0.17724693  0.48049886
   0.87551516  0.07775894  0.89142117
   0.61582731  0.44776498  0.61825116
   0.75083532  0.35445163  0.80112758
   0.62476000  0.64923451 -0.01074578
   0.89645441  0.58765246  0.37329666
   0.55888624  0.88383609  0.12650717
   0.81354649  0.82013911  0.23902718
   0.63118659  0.65724026  0.46101030
   0.87462561  0.61804114  0.88899562
   0.61626872  0.92369244  0.60198936
   0.83742941  0.85249795  0.74163038
   0.06413935  0.07939340  0.15075488
   0.33483818  0.17147934  0.25760269
   0.10717283  0.33015960  0.00174418
   0.35218665  0.42035205  0.32616656
   0.52125897  0.34054820  0.19058060
   0.26355117  0.37840310  0.15390283
   0.21372338  0.10064325  0.43385165
  -0.04502486  0.14013733  0.40017092
   0.03061854  0.01645013  0.55826151
   0.46750389  0.24222274  0.77642569
   0.05118638  0.27229639  0.55799813
   0.34364495  0.45899011  0.84480003
   0.48668389  0.47035498  0.67423094
   0.25215156  0.33180568  0.68023993
   0.23567310  0.17303242 -0.12021546
   0.00443182  0.09405925  0.95972410
   0.12415892  0.58612899  0.07518350
   0.35719413  0.67002079  0.25962304
   0.10513154  0.85294957  0.03194875
   0.35209491  0.92779480  0.32809599
   0.38756628  0.87611453  0.14845726
   0.14633172  0.84058528  0.22394960
   0.31456224  0.66449690  0.43089172
   0.04648767  0.63600960  0.41103101
   0.17207996  0.51694689  0.55619431
   0.34584844  0.69887494  0.76174128
   0.15449513  0.77695420  0.54531135
   0.39480907  0.99495793  0.79570445
   0.46597763  0.86667047  0.64050778
   0.19549371  0.90855048  0.69957345
   0.29379790  0.68931786 -0.04767357
   0.04033951  0.65145558  0.89901704
   0.57885325  0.05116129  0.10097313
   0.82240735  0.18320453  0.24122457
   0.64317962  0.27969785  0.01342384
   0.86546550  0.41981517  0.36367688
   0.00932125  0.37921057  0.17060107
   0.77084987  0.41979140  0.16215023
   0.70118017  0.16909970  0.39768340
   0.45758425  0.14318911  0.42139068
   0.62907370  0.08167024  0.56945983
   0.82864233  0.20907587  0.81861077
   0.59176857  0.33388117  0.52591258
   0.84821006  0.46345999  0.85494654
   1.01484977  0.44502594  0.70950229
   0.74379178  0.40554094  0.68504569
   0.74388068  0.04853950  0.95836678
   0.48191988  0.11053469  0.93745531
   0.57203478  0.53427821  0.06640769
   0.87573614  0.67486544  0.27303144
   0.60444515  0.80867890  0.02271423
   0.84250330  0.93181697  0.32979318
   0.89604980  0.86461089  0.14576200
   0.64125908  0.81354878  0.22786201
   0.78796247  0.64644487  0.44174792
   0.56501970  0.54982429  0.37469440
   0.61952783  0.58911368  0.56080138
   0.80448215  0.71047727  0.80759758
   0.55987920  0.81924795  0.44102891
   0.89765862  0.94437036  0.82532994
   0.94614536  0.81858858  0.65986454
   0.70102289  0.92309481  0.70700345
   0.78833473  0.64797505  0.98072351
   0.53127526  0.63760300  0.89294365
   0.70773135  0.82406094  0.56156079
   0.47808889  0.83044801  0.40156252
   0.87317621  0.21516829  0.05708780
   0.88932758  0.42684582  0.26675698
   0.33692963  0.10706654  0.62813086
   0.28046255  0.74974804  0.76319127
   0.14225003  1.12792210  0.17843347
   0.24565313  1.10576916  0.03602211
   0.62529100  0.37448330  0.83554965
   0.91521827  0.43685115  0.69482171
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013755    0.207251   -0.199301
    -0.000000    9.717048   -0.059797
    -0.000000    0.000000   14.009183
   Si   O    H 
    32    64    10
Direct configuration=  2372
   0.14616623  0.17340996 -0.02430436
   0.33393674  0.08484828  0.36288598
   0.12965409  0.42029299  0.09845844
   0.37633530  0.33491548  0.23336836
   0.06760615  0.13656657  0.48646370
   0.39225371  0.13700048  0.84965168
   0.12201334  0.39453580  0.62872279
   0.38257515  0.38276929  0.74437335
   0.13686765  0.69596058 -0.01195737
   0.40330655  0.57642369  0.35010886
   0.05954984  0.91419182  0.13258595
   0.31072807  0.82404101  0.23883557
   0.17372565  0.64149463  0.48026443
   0.38057979  0.62623855  0.86381347
   0.08412343  0.88457716  0.62158474
   0.34656514  0.96267575  0.68520744
   0.61780330  0.11362446  0.99812008
   0.82408418  0.10371044  0.34162705
   0.62457810  0.38473319  0.10949892
   0.87764779  0.28463420  0.15557941
   0.59121942  0.17867026  0.48037082
   0.87538612  0.07814642  0.89083419
   0.61734287  0.44850641  0.61878697
   0.75212316  0.35387031  0.80115403
   0.62474057  0.64824746 -0.01135374
   0.89688244  0.58788933  0.37332472
   0.55780396  0.88382259  0.12622251
   0.81134100  0.82054170  0.23874432
   0.63027599  0.65689906  0.46032845
   0.87454615  0.61760266  0.88842846
   0.61659080  0.92141443  0.60342178
   0.83847932  0.85248794  0.74202970
   0.06398857  0.08018361  0.15087510
   0.33431087  0.17123739  0.25775573
   0.10671649  0.33119152  0.00198490
   0.35320008  0.41959388  0.32619297
   0.52110111  0.34177697  0.19032554
   0.26257504  0.37733995  0.15437013
   0.21055297  0.10113524  0.43353597
  -0.04690452  0.14133789  0.39940371
   0.03072377  0.01673884  0.55840270
   0.46564635  0.24074328  0.77508448
   0.05141479  0.27266339  0.55713068
   0.34548506  0.45905278  0.84460254
   0.48591723  0.47220675  0.67510571
   0.25455922  0.33283802  0.67840118
   0.23600786  0.17287438 -0.11946645
   0.00504202  0.09379083  0.95942339
   0.12439278  0.58509280  0.07481548
   0.35779464  0.66923817  0.25899748
   0.10541047  0.85143671  0.03254556
   0.35243042  0.92688892  0.32712619
   0.38793400  0.87820449  0.14802102
   0.14833997  0.84223868  0.22271618
   0.31648151  0.66475488  0.43135595
   0.04643753  0.63497075  0.40974804
   0.17061714  0.51547214  0.55571974
   0.34823891  0.69748256  0.76147785
   0.15398980  0.77726675  0.54494338
   0.39395589  0.99628447  0.79493391
   0.46527074  0.86536521  0.64003462
   0.19559843  0.90838523  0.70050584
   0.29257669  0.68845557 -0.04795538
   0.04030551  0.65229755  0.89890201
   0.58011584  0.05250524  0.10165580
   0.82389598  0.18141126  0.24189444
   0.64356088  0.27902835  0.01310289
   0.86603517  0.41930272  0.36348073
   0.01007315  0.37998652  0.17108605
   0.77024586  0.41954903  0.16142141
   0.70142804  0.16999644  0.39951129
   0.45747773  0.14402237  0.42202910
   0.62799602  0.08049232  0.57083286
   0.82935006  0.20948497  0.81938420
   0.59209475  0.33494691  0.52717608
   0.84913917  0.46343355  0.85473613
   1.01480862  0.44499865  0.70950704
   0.74338609  0.40315941  0.68484859
   0.74305463  0.04885908  0.95813732
   0.48076979  0.11183431  0.93694905
   0.57164879  0.53542703  0.06690096
   0.87479457  0.67567198  0.27336321
   0.60530130  0.80821239  0.02255446
   0.84232466  0.93088842  0.32909145
   0.89627158  0.86527692  0.14427707
   0.64208210  0.81367450  0.22783055
   0.78723802  0.64527421  0.44239537
   0.56382526  0.55062495  0.37387092
   0.61877629  0.58809091  0.56095301
   0.80394211  0.71109566  0.80655188
   0.56060953  0.82049466  0.44038484
   0.89723641  0.94444247  0.82644349
   0.94782042  0.81764856  0.66071542
   0.70150271  0.92381499  0.70721733
   0.78757134  0.64910824  0.98024415
   0.53235837  0.63672906  0.89312411
   0.70619977  0.82281359  0.56101381
   0.47484474  0.83815562  0.40207090
   0.87240415  0.21392746  0.05831941
   0.89984878  0.42124428  0.26376740
   0.33681438  0.09461190  0.62349634
   0.26245427  0.75837177  0.76065570
   0.13207886  1.12226628  0.18090915
   0.24986733  1.10091849  0.03462017
   0.61724311  0.37474955  0.84028925
   0.91880595  0.42969908  0.69064965
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013745    0.201880   -0.199884
    -0.000000    9.716204   -0.057710
    -0.000000    0.000000   14.011000
   Si   O    H 
    32    64    10
Direct configuration=  2373
   0.14638566  0.17351272 -0.02403149
   0.33328806  0.08599433  0.36291871
   0.12978300  0.42146255  0.09756258
   0.37680732  0.33385642  0.23207984
   0.06654740  0.13700814  0.48669272
   0.39390042  0.13743073  0.84953117
   0.12219476  0.39413425  0.62826442
   0.38173855  0.38296853  0.74360814
   0.13663875  0.69588192 -0.01173160
   0.40327247  0.57630460  0.34978430
   0.05952546  0.91463155  0.13317189
   0.31063917  0.82254412  0.23761622
   0.17368093  0.64103490  0.48027568
   0.38094634  0.62534779  0.86444704
   0.08571428  0.88422832  0.62157066
   0.34686318  0.96265455  0.68584830
   0.61710245  0.11438509  0.99849667
   0.82410059  0.10330119  0.34256447
   0.62591737  0.38606472  0.10952991
   0.87755715  0.28463895  0.15433755
   0.59223516  0.18055289  0.48063846
   0.87528552  0.07822724  0.88982930
   0.61899322  0.44849631  0.61893408
   0.75386210  0.35381725  0.80084908
   0.62403821  0.64793163 -0.01220817
   0.89767081  0.58747021  0.37281214
   0.55750291  0.88385559  0.12586373
   0.80970154  0.82098223  0.23859917
   0.62909633  0.65697618  0.45995511
   0.87439002  0.61720737  0.88771335
   0.61684729  0.91933184  0.60496038
   0.83968246  0.85195682  0.74225476
   0.06296122  0.08034449  0.15095208
   0.33387457  0.17057785  0.25776763
   0.10650912  0.33279330  0.00236913
   0.35420244  0.41929614  0.32634730
   0.52105017  0.34253520  0.18993823
   0.26231290  0.37583749  0.15476075
   0.20685838  0.10204336  0.43310742
  -0.04812471  0.14201517  0.39892491
   0.03033872  0.01731008  0.55872811
   0.46280113  0.23923670  0.77397851
   0.05230595  0.27330955  0.55588779
   0.34617236  0.45825117  0.84442694
   0.48487832  0.47305388  0.67682541
   0.25710830  0.33393638  0.67670003
   0.23672265  0.17255624 -0.11924442
   0.00576381  0.09403872  0.95892412
   0.12532609  0.58395130  0.07497553
   0.35768495  0.66835322  0.25863278
   0.10632863  0.84979818  0.03320107
   0.35232495  0.92557944  0.32699197
   0.38948126  0.88079500  0.14692748
   0.15001739  0.84366152  0.22151927
   0.31815033  0.66462047  0.43176915
   0.04570888  0.63416671  0.40847900
   0.16987816  0.51478280  0.55552685
   0.35019923  0.69678223  0.76130494
   0.15321499  0.77844255  0.54464721
   0.39304042  0.99669887  0.79378765
   0.46564375  0.86482747  0.63960035
   0.19612030  0.90910150  0.70121801
   0.29201914  0.68807811 -0.04819170
   0.03989630  0.65335754  0.89893656
   0.58049470  0.05275039  0.10233893
   0.82483997  0.17999999  0.24173235
   0.64341649  0.27849830  0.01377991
   0.86716960  0.41885118  0.36264972
   0.01128191  0.38046270  0.17113887
   0.76942572  0.41877645  0.16043832
   0.70250310  0.16972163  0.40115829
   0.45846333  0.14449439  0.42241663
   0.62714281  0.07960144  0.57209737
   0.83023502  0.21082857  0.82044798
   0.59220832  0.33637956  0.52907050
   0.85015776  0.46339337  0.85461077
   1.01452948  0.44504282  0.70924187
   0.74251079  0.40073014  0.68513644
   0.74322037  0.04884737  0.95813810
   0.48031749  0.11301429  0.93704047
   0.57242013  0.53699691  0.06656254
   0.87327191  0.67671822  0.27416343
   0.60549965  0.80747532  0.02217594
   0.84206028  0.93013205  0.32784243
   0.89706562  0.86604695  0.14288998
   0.64377315  0.81417076  0.22734981
   0.78652945  0.64440163  0.44317864
   0.56212930  0.55216079  0.37317810
   0.61847791  0.58643479  0.56197332
   0.80367009  0.71297952  0.80545876
   0.56193679  0.82105862  0.43970699
   0.89754509  0.94483629  0.82762931
   0.94985469  0.81690727  0.66123495
   0.70255121  0.92463449  0.70775564
   0.78775624  0.65018135  0.97995568
   0.53407638  0.63592338  0.89310426
   0.70486747  0.82368729  0.56020731
   0.47400977  0.84758654  0.40334096
   0.87058287  0.21537729  0.06236039
   0.90678567  0.41995447  0.26968257
   0.33513526  0.08055665  0.62157598
   0.25162416  0.76417436  0.75901984
   0.13752638  1.12277407  0.18881247
   0.25285868  1.09912339  0.03712092
   0.61125319  0.37199008  0.84747548
   0.92634182  0.42673929  0.68798675
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013579    0.196911   -0.200530
    -0.000000    9.715575   -0.055172
    -0.000000    0.000000   14.013134
   Si   O    H 
    32    64    10
Direct configuration=  2374
   0.14660283  0.17372024 -0.02416510
   0.33245333  0.08733221  0.36234860
   0.13026024  0.42261971  0.09676387
   0.37770266  0.33182719  0.23091707
   0.06547817  0.13780240  0.48657356
   0.39471825  0.13796460  0.84913789
   0.12144334  0.39389688  0.62774067
   0.38094235  0.38335252  0.74279499
   0.13591529  0.69618709 -0.01101934
   0.40311731  0.57657387  0.34961161
   0.05970034  0.91485773  0.13392341
   0.31058895  0.82160265  0.23626047
   0.17323381  0.64106378  0.48050456
   0.38130182  0.62523040  0.86507733
   0.08683026  0.88405204  0.62107953
   0.34768203  0.96250946  0.68638403
   0.61607316  0.11535258  0.99899953
   0.82352871  0.10291575  0.34338952
   0.62650679  0.38721519  0.10933230
   0.87748099  0.28438442  0.15320957
   0.59350559  0.18244741  0.48095135
   0.87466504  0.07870888  0.88903480
   0.61972592  0.44805978  0.61899116
   0.75561954  0.35454062  0.80063647
   0.62377159  0.64810037 -0.01292572
   0.89864874  0.58744533  0.37237770
   0.55677899  0.88405471  0.12608993
   0.80816635  0.82099462  0.23828045
   0.62867537  0.65756512  0.45923825
   0.87426965  0.61813869  0.88650700
   0.61722776  0.91665326  0.60690523
   0.84074342  0.85154987  0.74234772
   0.06163870  0.08088473  0.15113262
   0.33238729  0.16911163  0.25751666
   0.10643878  0.33340941  0.00235424
   0.35426640  0.42023643  0.32674650
   0.52097042  0.34384362  0.18961139
   0.26305707  0.37400171  0.15599388
   0.20368665  0.10256240  0.43328623
  -0.04770688  0.14218658  0.39874255
   0.03000985  0.01726364  0.55947341
   0.45984312  0.23843196  0.77269956
   0.05340557  0.27479915  0.55428171
   0.34672277  0.45779308  0.84468513
   0.48366889  0.47379775  0.67837738
   0.26002503  0.33441353  0.67497664
   0.23747006  0.17242969 -0.11951597
   0.00630578  0.09510907  0.95925628
   0.12587123  0.58339806  0.07495746
   0.35753558  0.66770863  0.25862141
   0.10765003  0.84737411  0.03388511
   0.35284050  0.92394987  0.32666140
   0.39097310  0.88277520  0.14589638
   0.15192064  0.84492211  0.22030110
   0.32048297  0.66452034  0.43166814
   0.04528656  0.63352095  0.40819508
   0.16967480  0.51429507  0.55551438
   0.35089088  0.69712053  0.76122163
   0.15231282  0.77906366  0.54418832
   0.39261751  0.99686839  0.79192319
   0.46583702  0.86429679  0.63880529
   0.19741611  0.90922171  0.70169330
   0.29191101  0.68765054 -0.04832973
   0.03940486  0.65393292  0.89907085
   0.58089176  0.05262586  0.10322852
   0.82509506  0.17908870  0.24112864
   0.64262574  0.27839442  0.01542003
   0.86859964  0.41926021  0.36146052
   0.01231531  0.38003885  0.17077890
   0.76832931  0.41782627  0.15951741
   0.70335782  0.16918121  0.40210155
   0.45845272  0.14536724  0.42329319
   0.62534543  0.07867659  0.57298736
   0.83175667  0.21161419  0.82174073
   0.59268082  0.33702545  0.53052909
   0.85015127  0.46311539  0.85380023
   1.01478757  0.44620095  0.70950545
   0.74177191  0.39873711  0.68616245
   0.74458127  0.04828639  0.95733835
   0.48105155  0.11412700  0.93746136
   0.57350960  0.53863101  0.06646168
   0.87166808  0.67771654  0.27428378
   0.60547283  0.80755875  0.02274929
   0.84097270  0.92993565  0.32682185
   0.89901894  0.86655788  0.14180565
   0.64491858  0.81503880  0.22635344
   0.78575920  0.64325296  0.44412608
   0.56060655  0.55320074  0.37273681
   0.61858889  0.58686224  0.56280723
   0.80309690  0.71438160  0.80331085
   0.56383192  0.82123798  0.43914108
   0.89868734  0.94535723  0.82864357
   0.95212729  0.81626381  0.66181509
   0.70392628  0.92556187  0.70819838
   0.78806371  0.65193348  0.98044396
   0.53550150  0.63509205  0.89302550
   0.70666086  0.82198707  0.55712116
   0.47779711  0.85454443  0.40936591
   0.86952659  0.21564012  0.06343052
   0.91003215  0.41836803  0.28428486
   0.33438691  0.07211711  0.62017784
   0.25664265  0.75987650  0.75820566
   0.14376800  1.11852988  0.19438091
   0.25086016  1.10182448  0.03804180
   0.61595363  0.36799161  0.85061768
   0.92439587  0.42620134  0.68393403
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013249    0.192384   -0.200825
    -0.000000    9.714930   -0.052515
    -0.000000    0.000000   14.015044
   Si   O    H 
    32    64    10
Direct configuration=  2375
   0.14679260  0.17381896 -0.02457737
   0.33215945  0.08856067  0.36190646
   0.13140037  0.42356591  0.09632545
   0.37802332  0.32962804  0.22979912
   0.06487933  0.13887288  0.48606304
   0.39498058  0.13859034  0.84834455
   0.12055257  0.39370535  0.62712929
   0.38028052  0.38372349  0.74218392
   0.13523341  0.69641415 -0.01013446
   0.40277089  0.57655662  0.34961283
   0.05949982  0.91480095  0.13437901
   0.31067037  0.82041008  0.23495663
   0.17303589  0.64087861  0.48052646
   0.38187973  0.62436996  0.86541225
   0.08758231  0.88388084  0.62050675
   0.34842214  0.96208731  0.68715099
   0.61583473  0.11652246  0.99944552
   0.82260231  0.10232157  0.34436968
   0.62782716  0.38796378  0.10839283
   0.87783222  0.28343092  0.15206675
   0.59460147  0.18445087  0.48139188
   0.87431712  0.07892875  0.88802904
   0.61981419  0.44753020  0.61885706
   0.75696710  0.35527541  0.80057504
   0.62378121  0.64850023 -0.01296623
   0.89919101  0.58736882  0.37193040
   0.55583130  0.88405247  0.12617973
   0.80657984  0.82021690  0.23811350
   0.62876295  0.65805458  0.45818169
   0.87433716  0.61968146  0.88529928
   0.61697050  0.91411264  0.60874734
   0.84143512  0.85014521  0.74274297
   0.06138940  0.08238896  0.15142705
   0.33151444  0.16760146  0.25805255
   0.10625152  0.33376687  0.00259628
   0.35411457  0.42238360  0.32722557
   0.52133780  0.34398957  0.18946431
   0.26400538  0.37258941  0.15720591
   0.20043181  0.10257410  0.43277594
  -0.04687900  0.14254079  0.39854911
   0.02944757  0.01674500  0.56034500
   0.45721588  0.23773898  0.77151205
   0.05462370  0.27641830  0.55250840
   0.34769716  0.45755721  0.84533908
   0.48208829  0.47467363  0.68046414
   0.26211955  0.33372133  0.67354714
   0.23809806  0.17212912 -0.12026042
   0.00628413  0.09543638  0.95922542
   0.12646475  0.58271602  0.07491809
   0.35805120  0.66654721  0.25814277
   0.10866659  0.84530339  0.03454814
   0.35383160  0.92208952  0.32666537
   0.39217691  0.88406698  0.14463812
   0.15328788  0.84635664  0.21916117
   0.32240038  0.66379186  0.43169180
   0.04604948  0.63312601  0.40789241
   0.16904896  0.51450791  0.55593160
   0.35117180  0.69848873  0.76090055
   0.15123632  0.77943822  0.54375296
   0.39057043  0.99722238  0.79087845
   0.46570909  0.86353432  0.63810379
   0.19861751  0.90906066  0.70176323
   0.29226275  0.68690886 -0.04864346
   0.03817043  0.65442157  0.89900985
   0.58068663  0.05133042  0.10414395
   0.82655265  0.17833025  0.24031375
   0.64228152  0.27931070  0.01714968
   0.87128238  0.42008296  0.36002270
   0.01287611  0.37927333  0.17040918
   0.76664031  0.41629324  0.15830355
   0.70426856  0.16801238  0.40297329
   0.45861081  0.14671785  0.42430679
   0.62298994  0.07832937  0.57379228
   0.83433680  0.21156880  0.82256800
   0.59274293  0.33686393  0.53221022
   0.85017753  0.46310170  0.85319378
   1.01595040  0.44737827  0.70894636
   0.74148430  0.39752865  0.68759241
   0.74650483  0.04797177  0.95616847
   0.48152534  0.11606437  0.93876224
   0.57471303  0.53884993  0.06662101
   0.86988843  0.67780544  0.27438049
   0.60470867  0.80810155  0.02362053
   0.84017146  0.93047731  0.32601225
   0.90146135  0.86705773  0.14083125
   0.64613423  0.81633007  0.22531246
   0.78493485  0.64180039  0.44488087
   0.55874434  0.55425228  0.37173953
   0.61926917  0.58854043  0.56343735
   0.80161449  0.71610782  0.80132529
   0.56535408  0.82200910  0.43933944
   0.90113447  0.94599853  0.82948375
   0.95415513  0.81574782  0.66261915
   0.70513083  0.92744921  0.70892644
   0.78906980  0.65364061  0.98077286
   0.53676782  0.63429074  0.89320157
   0.70641242  0.81949611  0.55002607
   0.48587497  0.85792063  0.41422671
   0.86594713  0.21372698  0.06254927
   0.90921570  0.41698522  0.30763272
   0.33253346  0.06936008  0.61586432
   0.27261816  0.74507997  0.75830363
   0.14373470  1.10938129  0.19515211
   0.24436102  1.10652421  0.03961282
   0.62540329  0.36564514  0.84934020
   0.92391533  0.42727270  0.68269379
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.012510    0.187379   -0.201511
    -0.000000    9.714250   -0.049669
    -0.000000    0.000000   14.016763
   Si   O    H 
    32    64    10
Direct configuration=  2376
   0.14733277  0.17376499 -0.02519647
   0.33201224  0.08918079  0.36176131
   0.13248149  0.42442896  0.09641749
   0.37749927  0.32698443  0.22887479
   0.06425368  0.13940883  0.48572805
   0.39529841  0.13947105  0.84744842
   0.11936728  0.39371474  0.62600531
   0.37995750  0.38357638  0.74168311
   0.13483058  0.69662530 -0.00919412
   0.40233631  0.57648187  0.34981170
   0.05920319  0.91485992  0.13493244
   0.31148872  0.81913682  0.23421144
   0.17295166  0.64121650  0.48072462
   0.38242940  0.62414065  0.86617891
   0.08826339  0.88331758  0.61949735
   0.34954540  0.96123110  0.68764955
   0.61593830  0.11741338  0.99965137
   0.82170081  0.10157643  0.34452702
   0.62867483  0.38827302  0.10757982
   0.87753107  0.28227838  0.15108692
   0.59509177  0.18636080  0.48206882
   0.87450576  0.08015204  0.88718689
   0.61927553  0.44666160  0.61857024
   0.75770975  0.35611100  0.80028562
   0.62388356  0.64911628 -0.01263103
   0.89890240  0.58739036  0.37155306
   0.55485763  0.88299906  0.12627542
   0.80578811  0.81960033  0.23752399
   0.62847890  0.65872665  0.45716922
   0.87448117  0.62083158  0.88418256
   0.61664583  0.91162167  0.61029328
   0.84192266  0.84926810  0.74323128
   0.06140116  0.08422401  0.15213297
   0.33073552  0.16591940  0.25909363
   0.10539148  0.33342704  0.00265735
   0.35366288  0.42459334  0.32797968
   0.52251873  0.34382012  0.18911306
   0.26414742  0.37088404  0.15791125
   0.19743810  0.10225317  0.43172101
  -0.04555196  0.14340696  0.39944973
   0.02869096  0.01684903  0.56090344
   0.45513076  0.23791471  0.77111253
   0.05622109  0.27757133  0.55084406
   0.34837760  0.45840275  0.84642743
   0.48147875  0.47500161  0.68216440
   0.26396921  0.33294721  0.67203397
   0.23838646  0.17219323 -0.12086163
   0.00564847  0.09533799  0.95934664
   0.12772654  0.58233807  0.07434532
   0.35839859  0.66628591  0.25692947
   0.10912099  0.84342621  0.03497575
   0.35528940  0.92084897  0.32674878
   0.39392387  0.88551212  0.14299412
   0.15356329  0.84865807  0.21813510
   0.32407728  0.66355128  0.43174946
   0.04699210  0.63228291  0.40750503
   0.16835235  0.51505947  0.55596678
   0.35275046  0.69863977  0.76122097
   0.14994921  0.78039295  0.54355552
   0.38835292  0.99763300  0.78958325
   0.46548937  0.86283584  0.63751523
   0.19830090  0.90894825  0.70184385
   0.29258197  0.68640136 -0.04904358
   0.03656282  0.65487604  0.89858565
   0.58048533  0.05034758  0.10458278
   0.82778751  0.17851111  0.23885680
   0.64318141  0.27975318  0.01799541
   0.87244441  0.42161189  0.35971769
   0.01412062  0.37887735  0.17009282
   0.76548441  0.41491020  0.15717374
   0.70508945  0.16672469  0.40349286
   0.45809325  0.14727038  0.42526810
   0.62072275  0.07856989  0.57428243
   0.83584253  0.21128316  0.82270056
   0.59304112  0.33643823  0.53373176
   0.85047459  0.46300134  0.85272067
   1.01642893  0.44826839  0.70811213
   0.74065415  0.39649833  0.68876893
   0.74811331  0.04778372  0.95470420
   0.48234010  0.11767481  0.94009208
   0.57516276  0.53881060  0.06642691
   0.86767918  0.67708731  0.27442816
   0.60397251  0.80846819  0.02455103
   0.83975953  0.93180934  0.32518517
   0.90345693  0.86807408  0.14027432
   0.64718878  0.81775957  0.22367444
   0.78440725  0.64028783  0.44568046
   0.55710910  0.55585567  0.37087565
   0.61958805  0.59105680  0.56379835
   0.79958199  0.71783601  0.79967161
   0.56812266  0.82165999  0.44021216
   0.90342202  0.94566641  0.83052932
   0.95512714  0.81516307  0.66348555
   0.70564644  0.92967809  0.70945918
   0.78998303  0.65535104  0.98064897
   0.53874339  0.63388179  0.89339221
   0.70455031  0.81863548  0.54376035
   0.48468103  0.86372562  0.41583746
   0.86574834  0.21053678  0.06175703
   0.92473525  0.40859426  0.30152649
   0.33217124  0.07131302  0.61443906
   0.27422007  0.73935194  0.75703597
   0.13348995  1.10153226  0.19037493
   0.24021865  1.10909074  0.04285849
   0.63637640  0.36374408  0.84764998
   0.92720313  0.42845446  0.68332579
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.011758    0.182571   -0.202825
    -0.000000    9.713781   -0.046415
    -0.000000    0.000000   14.018479
   Si   O    H 
    32    64    10
Direct configuration=  2377
   0.14819987  0.17473188 -0.02576401
   0.33215376  0.08977847  0.36201214
   0.13363399  0.42396961  0.09666223
   0.37759495  0.32432040  0.22852946
   0.06372561  0.14000217  0.48566944
   0.39517782  0.14013844  0.84669455
   0.11842292  0.39360725  0.62491482
   0.38029240  0.38366684  0.74117944
   0.13392411  0.69628585 -0.00858173
   0.40192854  0.57607841  0.35003398
   0.05795682  0.91487458  0.13562336
   0.31208545  0.81847584  0.23336206
   0.17308827  0.64150947  0.48060622
   0.38258749  0.62370345  0.86717758
   0.08882392  0.88376816  0.61838257
   0.35050929  0.96007663  0.68758107
   0.61630385  0.11770901  0.99976024
   0.82146748  0.10118540  0.34453898
   0.62942328  0.38907553  0.10691566
   0.87802375  0.28086778  0.15034845
   0.59595419  0.18855525  0.48244860
   0.87486690  0.08099366  0.88691180
   0.61889837  0.44656237  0.61829753
   0.75888477  0.35678814  0.80066304
   0.62336939  0.64987628 -0.01196224
   0.89788043  0.58764052  0.37127789
   0.55452398  0.88161678  0.12613835
   0.80521418  0.82005446  0.23728328
   0.62794278  0.65936704  0.45642382
   0.87479251  0.62160460  0.88335026
   0.61633660  0.90918315  0.61137670
   0.84234146  0.84909723  0.74366661
   0.06080237  0.08483512  0.15231095
   0.33004033  0.16436890  0.26003038
   0.10469653  0.33321756  0.00274577
   0.35317297  0.42645102  0.32828511
   0.52265921  0.34294086  0.18881373
   0.26351870  0.36989187  0.15823914
   0.19466168  0.10167520  0.43081239
  -0.04436389  0.14420719  0.40052323
   0.02827850  0.01683800  0.56110191
   0.45401532  0.23794095  0.77036771
   0.05735652  0.27895376  0.54994650
   0.34988630  0.45990933  0.84737463
   0.48113822  0.47507835  0.68343055
   0.26511760  0.33159399  0.67070912
   0.23858596  0.17223835 -0.12170868
   0.00489442  0.09476578  0.95950115
   0.12800428  0.58218051  0.07401615
   0.35813815  0.66627158  0.25529272
   0.10992714  0.84160040  0.03592460
   0.35609964  0.92019015  0.32680343
   0.39544802  0.88686566  0.14160842
   0.15401603  0.85062215  0.21744545
   0.32533502  0.66299362  0.43177409
   0.04748452  0.63206372  0.40613941
   0.16817008  0.51557301  0.55573399
   0.35568118  0.69793916  0.76137445
   0.14882754  0.78168933  0.54329699
   0.38699313  0.99763847  0.78877419
   0.46582224  0.86247282  0.63660404
   0.19814670  0.90802538  0.70206829
   0.29267213  0.68564468 -0.04945500
   0.03539528  0.65562641  0.89874627
   0.58055942  0.04963086  0.10526429
   0.82920029  0.17955517  0.23732213
   0.64437163  0.28054905  0.01891963
   0.87401670  0.42478945  0.35969801
   0.01563051  0.37983310  0.17050066
   0.76521564  0.41382149  0.15625289
   0.70554808  0.16615829  0.40418764
   0.45666019  0.14887249  0.42624290
   0.61811585  0.07934811  0.57418696
   0.83790824  0.21205543  0.82230301
   0.59240065  0.33629586  0.53475873
   0.85127325  0.46306999  0.85261209
   1.01725658  0.44928233  0.70756031
   0.74020193  0.39579950  0.68988757
   0.75013124  0.04796386  0.95355870
   0.48246682  0.11892514  0.94175027
   0.57520235  0.53850653  0.06655459
   0.86548334  0.67623663  0.27439662
   0.60300196  0.80865541  0.02476298
   0.83976067  0.93238876  0.32429016
   0.90475173  0.86970472  0.13995497
   0.64736752  0.81901649  0.22129811
   0.78476086  0.63865393  0.44581347
   0.55559666  0.55742948  0.37053173
   0.62013958  0.59356552  0.56380255
   0.79754112  0.71882545  0.79846686
   0.57130051  0.82103711  0.44092026
   0.90608581  0.94532960  0.83141577
   0.95543970  0.81530559  0.66441477
   0.70594297  0.93117569  0.71023561
   0.79072861  0.65648826  0.98053435
   0.54005119  0.63322992  0.89390050
   0.70322557  0.82318983  0.54210728
   0.48443016  0.86599732  0.41511675
   0.86490893  0.20438887  0.05834427
   0.93994455  0.39848902  0.29532420
   0.32921007  0.07567285  0.61277921
   0.25142520  0.74321384  0.75406241
   0.13729702  1.10089763  0.19341903
   0.23608093  1.11072967  0.04375691
   0.63972155  0.36301654  0.84936850
   0.92852248  0.42800684  0.68225155
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010715    0.178438   -0.204469
    -0.000000    9.713650   -0.043254
    -0.000000    0.000000   14.020012
   Si   O    H 
    32    64    10
Direct configuration=  2378
   0.14917649  0.17514158 -0.02602318
   0.33244654  0.08965839  0.36215166
   0.13410854  0.42330089  0.09700385
   0.37817598  0.32247378  0.22846727
   0.06307095  0.14084420  0.48561808
   0.39459273  0.14037930  0.84624941
   0.11803172  0.39345088  0.62383568
   0.38027266  0.38402839  0.74118639
   0.13360488  0.69596926 -0.00858187
   0.40098974  0.57548417  0.35030804
   0.05616064  0.91475897  0.13634640
   0.31246817  0.81793189  0.23240819
   0.17351217  0.64185749  0.48078130
   0.38236062  0.62310818  0.86836363
   0.08926641  0.88392359  0.61746839
   0.35123223  0.95835592  0.68659542
   0.61739853  0.11721026  1.00023145
   0.82141941  0.10037475  0.34455055
   0.62967493  0.38973519  0.10616661
   0.87897516  0.28013452  0.14956373
   0.59707981  0.18995889  0.48313021
   0.87508419  0.08177903  0.88685405
   0.61857349  0.44693477  0.61773454
   0.76016992  0.35743460  0.80131025
   0.62335718  0.65152643 -0.01088782
   0.89654140  0.58843462  0.37071436
   0.55523054  0.88016919  0.12623952
   0.80527291  0.82031292  0.23713157
   0.62720956  0.66022956  0.45527325
   0.87468170  0.62235790  0.88271899
   0.61648702  0.90697364  0.61220972
   0.84300759  0.84922140  0.74409649
   0.06041581  0.08472855  0.15208824
   0.32872739  0.16361645  0.26107046
   0.10458475  0.33281458  0.00241096
   0.35180193  0.42723454  0.32832771
   0.52241197  0.34290883  0.18858513
   0.26238209  0.36892146  0.15798346
   0.19300549  0.10120318  0.43040987
  -0.04380299  0.14493581  0.40177483
   0.02838030  0.01761269  0.56168574
   0.45338558  0.23814882  0.76963087
   0.05871155  0.28057044  0.54912796
   0.35149231  0.46092753  0.84877892
   0.48194125  0.47478388  0.68407824
   0.26525255  0.33048820  0.66991195
   0.23936955  0.17239802 -0.12207848
   0.00345417  0.09544425  0.95924580
   0.12810912  0.58235452  0.07359683
   0.35800832  0.66670109  0.25385799
   0.11023258  0.84062981  0.03686952
   0.35730805  0.91907659  0.32718209
   0.39669892  0.88802820  0.14080002
   0.15405400  0.85266895  0.21704912
   0.32558336  0.66188050  0.43121188
   0.04798011  0.63269752  0.40434309
   0.16835531  0.51583390  0.55605057
   0.35757593  0.69790181  0.76147430
   0.14899880  0.78259084  0.54253684
   0.38634376  0.99773318  0.78881880
   0.46665015  0.86204170  0.63576476
   0.19762392  0.90729238  0.70241984
   0.29240169  0.68491782 -0.04905713
   0.03425208  0.65679171  0.89931626
   0.58113024  0.04911140  0.10600070
   0.82995224  0.17992635  0.23613382
   0.64536481  0.28167951  0.02003036
   0.87617497  0.42746816  0.35927959
   0.01699566  0.38063488  0.17060427
   0.76540282  0.41316182  0.15526870
   0.70573389  0.16583653  0.40468567
   0.45541450  0.14963606  0.42791020
   0.61537373  0.08022079  0.57401689
   0.84020999  0.21282859  0.82147764
   0.59230516  0.33734213  0.53529271
   0.85233363  0.46303243  0.85280717
   1.01796147  0.45146881  0.70609323
   0.73962511  0.39478472  0.69065262
   0.75166141  0.04883738  0.95257636
   0.48208168  0.12001820  0.94335718
   0.57536571  0.53841853  0.06632054
   0.86294009  0.67434879  0.27433658
   0.60216077  0.80848692  0.02521988
   0.83950872  0.93344850  0.32299996
   0.90501945  0.87172322  0.14004591
   0.64668505  0.82000729  0.21915187
   0.78540216  0.63723355  0.44596050
   0.55573234  0.55807511  0.37040351
   0.62076108  0.59610136  0.56296673
   0.79549037  0.71853526  0.79745469
   0.57378630  0.82166798  0.44092786
   0.90834573  0.94418666  0.83233831
   0.95595482  0.81551521  0.66462282
   0.70574679  0.93211596  0.71110389
   0.79138561  0.65618913  0.98023750
   0.54188349  0.63302603  0.89377195
   0.70156333  0.83146315  0.54536356
   0.48855514  0.85949320  0.41151990
   0.86488588  0.19809014  0.05934528
   0.94348996  0.39187774  0.29620173
   0.32845401  0.07765548  0.61280236
   0.23968166  0.73874890  0.75340216
   0.14409877  1.10270298  0.19728361
   0.23296767  1.11025230  0.04507208
   0.63749938  0.36386832  0.85178876
   0.93047836  0.43017581  0.68286561
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.009713    0.174630   -0.205573
    -0.000000    9.713842   -0.040527
    -0.000000    0.000000   14.021578
   Si   O    H 
    32    64    10
Direct configuration=  2379
   0.14954104  0.17480276 -0.02644712
   0.33282031  0.08933292  0.36289628
   0.13507436  0.42283456  0.09699426
   0.37896504  0.32094194  0.22878081
   0.06292049  0.14181953  0.48598792
   0.39411777  0.14023436  0.84602145
   0.11796957  0.39346937  0.62326886
   0.38032579  0.38498786  0.74133746
   0.13330598  0.69606195 -0.00889345
   0.39937977  0.57577403  0.35027693
   0.05439599  0.91474072  0.13706539
   0.31294026  0.81788076  0.23118327
   0.17407941  0.64261206  0.48075090
   0.38215886  0.62243239  0.86930531
   0.08916793  0.88377027  0.61660577
   0.35116186  0.95676443  0.68544066
   0.61868663  0.11693942  1.00100255
   0.82090083  0.09963692  0.34450230
   0.62952908  0.39060025  0.10549438
   0.87965059  0.27952822  0.14868158
   0.59812010  0.19146309  0.48410668
   0.87532108  0.08223918  0.88682330
   0.61803871  0.44736276  0.61755149
   0.76134882  0.35817038  0.80187242
   0.62398985  0.65295158 -0.00973795
   0.89451242  0.58872572  0.37057216
   0.55603209  0.87975628  0.12620264
   0.80608365  0.82049186  0.23738523
   0.62636234  0.66152133  0.45396513
   0.87440934  0.62355606  0.88231023
   0.61628489  0.90523974  0.61287536
   0.84405047  0.84972977  0.74429301
   0.06054819  0.08488972  0.15231565
   0.32710644  0.16306978  0.26192011
   0.10451708  0.33152280  0.00190858
   0.35039799  0.42663217  0.32764840
   0.52227437  0.34226179  0.18795871
   0.26109706  0.36929456  0.15748460
   0.19226542  0.10085972  0.43021475
  -0.04309802  0.14622317  0.40316083
   0.02825612  0.01754485  0.56197085
   0.45395453  0.23945708  0.76927332
   0.05923877  0.28194692  0.54829490
   0.35214361  0.46098266  0.84954109
   0.48341622  0.47460354  0.68458567
   0.26474714  0.32933759  0.66880269
   0.23975831  0.17261105 -0.12210564
   0.00217616  0.09652179  0.95873127
   0.12927599  0.58231427  0.07331779
   0.35786478  0.66582755  0.25273052
   0.11078508  0.84031244  0.03716917
   0.35892210  0.91816125  0.32768997
   0.39777045  0.88971168  0.14052669
   0.15452027  0.85395746  0.21706487
   0.32512221  0.65999237  0.43110251
   0.04925449  0.63231437  0.40283615
   0.16857960  0.51560263  0.55692562
   0.35811042  0.69795815  0.76189193
   0.14985536  0.78263849  0.54182756
   0.38669003  0.99778301  0.78937126
   0.46790298  0.86159582  0.63536342
   0.19769921  0.90601019  0.70246801
   0.29180220  0.68376292 -0.04857514
   0.03307281  0.65817465  0.90007891
   0.58171196  0.04819183  0.10642323
   0.83135790  0.17937389  0.23559576
   0.64667837  0.28349413  0.02137438
   0.87883731  0.42851618  0.35882275
   0.01837886  0.38175517  0.17062622
   0.76657494  0.41257694  0.15481486
   0.70537684  0.16542157  0.40471895
   0.45334019  0.14995100  0.42972810
   0.61255273  0.08137775  0.57447881
   0.84300652  0.21375048  0.82109387
   0.59301574  0.33814032  0.53560541
   0.85440408  0.46296825  0.85383287
   1.01903391  0.45394778  0.70552740
   0.73966542  0.39440866  0.69096734
   0.75237504  0.04920596  0.95196858
   0.48105205  0.12096204  0.94485512
   0.57490422  0.53877823  0.06597430
   0.86077621  0.67286994  0.27421142
   0.60052370  0.80937080  0.02566563
   0.83945344  0.93506938  0.32231534
   0.90470024  0.87320237  0.14080626
   0.64614202  0.82121231  0.21682458
   0.78661946  0.63645135  0.44650811
   0.55592463  0.55874435  0.37045141
   0.62112253  0.59874780  0.56199825
   0.79423612  0.71753897  0.79665203
   0.57648051  0.82267330  0.44056169
   0.91036769  0.94268745  0.83255420
   0.95624411  0.81699331  0.66484798
   0.70597241  0.93225582  0.71159591
   0.79207062  0.65556400  0.97980747
   0.54362440  0.63374027  0.89324178
   0.70148853  0.83712116  0.54973484
   0.49591870  0.85028390  0.40747962
   0.86603229  0.19426091  0.06235091
   0.94166237  0.39109964  0.30436143
   0.32877055  0.08079057  0.61772702
   0.24010062  0.73211447  0.75447691
   0.14168375  1.10083901  0.19543238
   0.23160322  1.11167518  0.04809260
   0.63411588  0.36324556  0.85449460
   0.92789797  0.43336241  0.68336568
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.008866    0.170788   -0.206828
    -0.000000    9.714254   -0.037358
    -0.000000    0.000000   14.023395
   Si   O    H 
    32    64    10
Direct configuration=  2380
   0.14935684  0.17444796 -0.02708780
   0.33310076  0.08916164  0.36343151
   0.13598943  0.42258390  0.09707351
   0.37953662  0.31995373  0.22932833
   0.06189392  0.14220055  0.48647695
   0.39344121  0.14046450  0.84618933
   0.11738631  0.39348738  0.62286800
   0.38022176  0.38534555  0.74185669
   0.13361721  0.69588894 -0.00940338
   0.39756735  0.57630438  0.35013759
   0.05279016  0.91471799  0.13706703
   0.31325672  0.81863656  0.23053899
   0.17511040  0.64348996  0.48109305
   0.38218726  0.62195081  0.86961523
   0.08856798  0.88373979  0.61620283
   0.35065657  0.95576807  0.68388535
   0.62017578  0.11618588  1.00180580
   0.82047449  0.09913818  0.34410957
   0.62905467  0.39132907  0.10472590
   0.88008361  0.27892963  0.14800916
   0.59867482  0.19253478  0.48515325
   0.87566834  0.08253322  0.88681771
   0.61773456  0.44814258  0.61777653
   0.76240750  0.35823601  0.80309588
   0.62521935  0.65450668 -0.00869137
   0.89297626  0.58882480  0.37020434
   0.55719586  0.87931853  0.12598195
   0.80787729  0.82083000  0.23715116
   0.62591929  0.66258715  0.45331235
   0.87389576  0.62504314  0.88186544
   0.61539883  0.90451761  0.61364707
   0.84486066  0.84938334  0.74430694
   0.06133208  0.08568980  0.15253492
   0.32613209  0.16293479  0.26260947
   0.10419556  0.33091999  0.00105721
   0.34902048  0.42631661  0.32708750
   0.52231126  0.34065944  0.18769469
   0.26074172  0.36950249  0.15679928
   0.19252820  0.10046254  0.42938595
  -0.04275829  0.14684061  0.40434092
   0.02897685  0.01798999  0.56210493
   0.45443853  0.24130650  0.76951660
   0.05975671  0.28280659  0.54767063
   0.35213239  0.46167417  0.85013019
   0.48430744  0.47498870  0.68501399
   0.26365273  0.32844341  0.66822411
   0.24030862  0.17259970 -0.12243985
   0.00203382  0.09849285  0.95842026
   0.13068787  0.58161261  0.07283224
   0.35789608  0.66484112  0.25159696
   0.11165309  0.84079777  0.03746039
   0.36075632  0.91787839  0.32803055
   0.39884554  0.89072510  0.14011488
   0.15519898  0.85438132  0.21731735
   0.32413324  0.65832487  0.43178594
   0.05145677  0.63280193  0.40181157
   0.16891854  0.51560198  0.55812419
   0.35755914  0.69837563  0.76262027
   0.15095420  0.78308623  0.54137002
   0.38658964  0.99762832  0.79035134
   0.47005716  0.86144169  0.63546553
   0.19739705  0.90484725  0.70208440
   0.29093464  0.68316220 -0.04783542
   0.03161930  0.65962184  0.90084123
   0.58216062  0.04807115  0.10661805
   0.83199949  0.17918104  0.23505163
   0.64805658  0.28425146  0.02203298
   0.88182164  0.42968486  0.35808930
   0.01933715  0.38211768  0.17087629
   0.76808148  0.41231782  0.15454137
   0.70503019  0.16581169  0.40487639
   0.45201484  0.14979004  0.43128008
   0.60988893  0.08227789  0.57488418
   0.84499067  0.21447643  0.82092284
   0.59404497  0.33853588  0.53596605
   0.85619743  0.46336806  0.85483991
   1.01950315  0.45636131  0.70515961
   0.73981181  0.39426499  0.69109364
   0.75263262  0.05045239  0.95122138
   0.48089278  0.12178307  0.94645661
   0.57501374  0.53953183  0.06511102
   0.85823565  0.67248922  0.27424696
   0.59934049  0.81039902  0.02603955
   0.83920547  0.93587099  0.32171917
   0.90368563  0.87476828  0.14203024
   0.64586098  0.82216694  0.21491667
   0.78743858  0.63629104  0.44634054
   0.55600460  0.55955551  0.37075598
   0.62086880  0.60080025  0.56089085
   0.79454981  0.71590161  0.79638997
   0.57949329  0.82345917  0.44096912
   0.91262407  0.94033028  0.83242999
   0.95646659  0.81835851  0.66428404
   0.70724116  0.93206764  0.71226420
   0.79270306  0.65523116  0.97959663
   0.54500168  0.63468688  0.89272826
   0.70626901  0.83818428  0.55440909
   0.49751719  0.84249435  0.40236563
   0.86728247  0.19182985  0.06365785
   0.93433058  0.39294089  0.31430025
   0.33073270  0.08044343  0.62365523
   0.25213026  0.72367628  0.75489506
   0.13438547  1.09896372  0.19078262
   0.23185875  1.10969881  0.04840734
   0.63134266  0.36486498  0.85599739
   0.92496887  0.44047735  0.68701574
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.007765    0.166839   -0.208161
    -0.000000    9.714370   -0.034086
    -0.000000    0.000000   14.025427
   Si   O    H 
    32    64    10
Direct configuration=  2381
   0.14975834  0.17387993 -0.02799908
   0.33312536  0.08906718  0.36484196
   0.13676102  0.42211021  0.09690113
   0.37963036  0.31898524  0.22952674
   0.06092376  0.14222103  0.48761765
   0.39255815  0.14099488  0.84654749
   0.11741063  0.39321487  0.62283257
   0.38041406  0.38585001  0.74239630
   0.13383687  0.69607427 -0.00968721
   0.39589741  0.57736983  0.34987237
   0.05184492  0.91483366  0.13672312
   0.31394253  0.81995833  0.22979246
   0.17634564  0.64416277  0.48093188
   0.38262769  0.62163605  0.86977258
   0.08789001  0.88353193  0.61570956
   0.34969763  0.95495934  0.68256720
   0.62126122  0.11567955  1.00253213
   0.82071056  0.09871109  0.34363793
   0.62871502  0.39286208  0.10425526
   0.88004550  0.27867630  0.14795366
   0.59930404  0.19223468  0.48632748
   0.87593248  0.08226176  0.88683561
   0.61670931  0.44945136  0.61867012
   0.76303585  0.35846846  0.80415521
   0.62626284  0.65562617 -0.00731838
   0.89216173  0.58939584  0.36993784
   0.55798358  0.87933887  0.12555369
   0.80953967  0.82188368  0.23680331
   0.62548263  0.66372489  0.45244611
   0.87360838  0.62613159  0.88166909
   0.61449996  0.90406438  0.61440138
   0.84614995  0.84946614  0.74461762
   0.06071583  0.08529863  0.15222640
   0.32578947  0.16212201  0.26314893
   0.10431830  0.33113674 -0.00003916
   0.34775949  0.42507968  0.32640252
   0.52170022  0.33892801  0.18728706
   0.26055898  0.36977379  0.15612493
   0.19387430  0.10033850  0.42822946
  -0.04272957  0.14746831  0.40524942
   0.02968418  0.01793396  0.56203211
   0.45501195  0.24389353  0.76990951
   0.05989001  0.28362414  0.54715834
   0.35242981  0.46192825  0.85004976
   0.48528528  0.47478460  0.68554374
   0.26367673  0.32857609  0.66757594
   0.24155385  0.17261987 -0.12305950
   0.00166985  0.10012255  0.95779881
   0.13213175  0.58112645  0.07244356
   0.35858820  0.66341108  0.25076042
   0.11221832  0.84227152  0.03806688
   0.36214846  0.91823727  0.32858360
   0.39953644  0.89115243  0.13966917
   0.15626104  0.85497770  0.21762927
   0.32339611  0.65641960  0.43301392
   0.05336919  0.63366483  0.40075356
   0.16886081  0.51582495  0.55855004
   0.35552872  0.69806295  0.76356984
   0.15196582  0.78357324  0.54114945
   0.38645766  0.99718112  0.79124782
   0.47156623  0.86163502  0.63526376
   0.19705732  0.90392645  0.70171914
   0.28979135  0.68246676 -0.04747189
   0.03068610  0.66089123  0.90175329
   0.58293390  0.04820155  0.10635799
   0.83282981  0.17867027  0.23452239
   0.64958931  0.28505055  0.02313494
   0.88334822  0.43109403  0.35864333
   0.01967672  0.38240814  0.17122512
   0.76959255  0.41209848  0.15387257
   0.70462998  0.16566550  0.40507385
   0.45089111  0.14953672  0.43286230
   0.60792871  0.08221644  0.57610780
   0.84701348  0.21537620  0.82027082
   0.59459703  0.33889051  0.53553741
   0.85846233  0.46410960  0.85582792
   1.01937882  0.45861485  0.70408137
   0.73968192  0.39404540  0.69108479
   0.75186348  0.05121984  0.95047843
   0.48083573  0.12286911  0.94695975
   0.57530655  0.53977579  0.06384747
   0.85581233  0.67348997  0.27427830
   0.59826994  0.81109791  0.02626210
   0.83884318  0.93634397  0.32064060
   0.90169240  0.87633577  0.14368432
   0.64490524  0.82306090  0.21310509
   0.78833343  0.63645721  0.44677630
   0.55671021  0.56052814  0.37110785
   0.62098633  0.60237839  0.56015462
   0.79524784  0.71372811  0.79640363
   0.58099882  0.82422455  0.44115279
   0.91413123  0.93932768  0.83203647
   0.95657904  0.81928408  0.66431428
   0.70924565  0.93102033  0.71259759
   0.79391683  0.65524571  0.97964461
   0.54597670  0.63562713  0.89159447
   0.71258062  0.83265641  0.55856503
   0.49818906  0.83603971  0.39571452
   0.86567079  0.18973760  0.06454555
   0.94406864  0.38339720  0.31105749
   0.33312142  0.07922812  0.62682350
   0.27411202  0.71310174  0.75674252
   0.14031105  1.10271503  0.19243272
   0.23511618  1.11047300  0.04665653
   0.63189984  0.36442308  0.85484835
   0.91974293  0.44889582  0.68940549
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.006423    0.163062   -0.209348
    -0.000000    9.714238   -0.031027
    -0.000000    0.000000   14.027433
   Si   O    H 
    32    64    10
Direct configuration=  2382
   0.15069250  0.17373568 -0.02888335
   0.33311301  0.08810380  0.36650033
   0.13715529  0.42164693  0.09680432
   0.37988740  0.31800574  0.23012939
   0.05993904  0.14202768  0.48857304
   0.39158968  0.14115345  0.84689589
   0.11745242  0.39319263  0.62254437
   0.38072433  0.38641211  0.74243443
   0.13463609  0.69611226 -0.01001151
   0.39408402  0.57843580  0.35009195
   0.05070051  0.91487065  0.13634650
   0.31457867  0.82142169  0.22886334
   0.17723977  0.64487741  0.48121055
   0.38311530  0.62087715  0.87002579
   0.08676897  0.88278253  0.61527026
   0.34835831  0.95442551  0.68099002
   0.62286340  0.11519149  1.00322244
   0.82145417  0.09935575  0.34306836
   0.62796462  0.39426159  0.10386225
   0.88016632  0.27873110  0.14829108
   0.59955413  0.19142651  0.48762204
   0.87583844  0.08236992  0.88666230
   0.61508095  0.45044640  0.61951526
   0.76310320  0.35812290  0.80507742
   0.62741432  0.65701529 -0.00590648
   0.89167827  0.59048178  0.36974501
   0.55902964  0.87993428  0.12522745
   0.81091439  0.82338140  0.23626538
   0.62533023  0.66446110  0.45188231
   0.87316955  0.62662521  0.88184117
   0.61392622  0.90437784  0.61476211
   0.84709683  0.84986810  0.74443574
   0.06023550  0.08484357  0.15182810
   0.32616632  0.16251044  0.26352321
   0.10507181  0.33144112 -0.00115746
   0.34653171  0.42367770  0.32587561
   0.52111381  0.33799464  0.18670916
   0.26060165  0.36996160  0.15500345
   0.19484900  0.10075989  0.42707682
  -0.04200228  0.14871715  0.40579011
   0.03100568  0.01834059  0.56146566
   0.45574176  0.24654832  0.77017790
   0.05940117  0.28433224  0.54680727
   0.35306813  0.46151088  0.84910370
   0.48659646  0.47491789  0.68558467
   0.26384281  0.32852695  0.66700598
   0.24242266  0.17232785 -0.12410866
   0.00196649  0.10187695  0.95697907
   0.13393312  0.58046450  0.07315797
   0.35881201  0.66205823  0.25067510
   0.11243814  0.84373194  0.03847717
   0.36335804  0.91912273  0.32912915
   0.40065839  0.89115883  0.13955279
   0.15769857  0.85562545  0.21792111
   0.32285499  0.65515397  0.43426838
   0.05462695  0.63454241  0.39999083
   0.16898053  0.51622459  0.55903060
   0.35652308  0.69754804  0.76456841
   0.15350831  0.78341531  0.54098173
   0.38670334  0.99618442  0.79214326
   0.47237177  0.86117655  0.63519351
   0.19649539  0.90346342  0.70140412
   0.28858519  0.68112495 -0.04701376
   0.02956363  0.66126559  0.90304411
   0.58319953  0.04778262  0.10643997
   0.83352086  0.17774153  0.23388381
   0.65175299  0.28555390  0.02405895
   0.88473892  0.43141424  0.35924932
   0.01949108  0.38224580  0.17120950
   0.77247453  0.41189184  0.15332002
   0.70452193  0.16571345  0.40534745
   0.44979042  0.14949453  0.43358553
   0.60625166  0.08136714  0.57713415
   0.84876339  0.21582884  0.81914749
   0.59497645  0.33960567  0.53433608
   0.86037463  0.46473656  0.85639757
   1.01910888  0.46048268  0.70306334
   0.73987696  0.39424453  0.69094191
   0.75080584  0.05268280  0.95024248
   0.48146683  0.12403468  0.94718276
   0.57617656  0.53966404  0.06262217
   0.85391209  0.67448773  0.27389745
   0.59678165  0.81101044  0.02612020
   0.83708036  0.93677725  0.31943354
   0.89837553  0.87742685  0.14485454
   0.64471721  0.82388153  0.21180867
   0.78932702  0.63712531  0.44722682
   0.55693239  0.56189398  0.37146122
   0.62106341  0.60377068  0.55995077
   0.79620036  0.71178109  0.79629902
   0.58187061  0.82436649  0.44112707
   0.91586456  0.93790739  0.83093540
   0.95563847  0.82034744  0.66432446
   0.71159533  0.92959289  0.71313499
   0.79460163  0.65586101  0.97992244
   0.54700951  0.63534034  0.89086868
   0.71874740  0.82742228  0.56257406
   0.50376866  0.83096422  0.38998842
   0.86800123  0.19081313  0.06521419
   0.94749461  0.37865575  0.30875338
   0.33508919  0.07729467  0.62899283
   0.25685952  0.71154287  0.75401200
   0.14368400  1.10813067  0.19333021
   0.24329786  1.11236343  0.04277170
   0.63266977  0.36417449  0.85293266
   0.92230171  0.45710528  0.69476288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.005023    0.159068   -0.210382
    -0.000000    9.713943   -0.027570
    -0.000000    0.000000   14.029461
   Si   O    H 
    32    64    10
Direct configuration=  2383
   0.15123085  0.17364734 -0.02975183
   0.33297581  0.08708053  0.36833191
   0.13696269  0.42113403  0.09666678
   0.37979092  0.31694123  0.23094237
   0.05935979  0.14152116  0.48971770
   0.39082412  0.14151642  0.84773007
   0.11801035  0.39309939  0.62252968
   0.38007496  0.38734727  0.74215132
   0.13481913  0.69647599 -0.01058141
   0.39196843  0.57858511  0.35014581
   0.04978015  0.91445110  0.13592581
   0.31551906  0.82351350  0.22839246
   0.17689277  0.64541119  0.48153876
   0.38408457  0.62058910  0.86934041
   0.08616064  0.88183791  0.61464078
   0.34676722  0.95418334  0.67998268
   0.62437586  0.11422307  1.00359700
   0.82292802  0.10102261  0.34267113
   0.62739595  0.39507905  0.10386113
   0.88069944  0.27871195  0.14859922
   0.60000958  0.19029439  0.48903059
   0.87655196  0.08204893  0.88696430
   0.61364878  0.45125911  0.61995164
   0.76319293  0.35773339  0.80570937
   0.62819587  0.65835927 -0.00469566
   0.89204248  0.59193467  0.36969059
   0.56057881  0.88107354  0.12484377
   0.81209933  0.82486706  0.23584475
   0.62564166  0.66509050  0.45129929
   0.87272460  0.62689752  0.88170306
   0.61473964  0.90502130  0.61510214
   0.84770445  0.84977033  0.74449748
   0.06044970  0.08463893  0.15200638
   0.32660920  0.16339635  0.26405714
   0.10595050  0.33193499 -0.00238358
   0.34517910  0.42240958  0.32528915
   0.52109271  0.33717894  0.18575222
   0.26099968  0.36982161  0.15432204
   0.19658570  0.10073329  0.42622116
  -0.04226623  0.14972471  0.40617524
   0.03231700  0.01816199  0.56072234
   0.45684442  0.24776464  0.77107398
   0.05882587  0.28482094  0.54687679
   0.35371900  0.46038917  0.84846148
   0.48779825  0.47509515  0.68520909
   0.26366740  0.32905510  0.66692810
   0.24260449  0.17207230 -0.12546264
   0.00243589  0.10349358  0.95698192
   0.13541512  0.58016288  0.07388609
   0.35875898  0.66061669  0.24975253
   0.11124588  0.84523202  0.03861228
   0.36387336  0.91916035  0.32992795
   0.40058323  0.89046508  0.13928519
   0.15902396  0.85594823  0.21791215
   0.32256482  0.65451827  0.43585029
   0.05573409  0.63634407  0.39971941
   0.16867847  0.51695036  0.55898812
   0.35735483  0.69582938  0.76556050
   0.15534360  0.78273601  0.54075690
   0.38668312  0.99504595  0.79273439
   0.47154746  0.86072398  0.63499564
   0.19611028  0.90264327  0.70133141
   0.28756020  0.67883912 -0.04661049
   0.02804984  0.66241107  0.90421020
   0.58328551  0.04698031  0.10602390
   0.83437615  0.17638762  0.23395662
   0.65352242  0.28589203  0.02417925
   0.88716769  0.43085855  0.35921680
   0.01951033  0.38229156  0.17145780
   0.77530625  0.41141582  0.15326363
   0.70394426  0.16576678  0.40541171
   0.44933086  0.14950007  0.43436685
   0.60555059  0.07995086  0.57795639
   0.85033043  0.21548049  0.81810928
   0.59510647  0.33980108  0.53363373
   0.86245600  0.46574091  0.85688667
   1.01830535  0.46146554  0.70257243
   0.74016903  0.39435469  0.69081108
   0.74912121  0.05334567  0.95021983
   0.48176693  0.12497173  0.94715471
   0.57660257  0.53992726  0.06207411
   0.85190025  0.67527773  0.27389093
   0.59548431  0.81126387  0.02554747
   0.83567745  0.93730659  0.31857403
   0.89553022  0.87851902  0.14641425
   0.64528695  0.82505242  0.21042547
   0.78902218  0.63770439  0.44742662
   0.55634244  0.56326323  0.37175001
   0.62127822  0.60421342  0.56017820
   0.79711297  0.71023061  0.79600498
   0.58159439  0.82430817  0.44069764
   0.91742597  0.93700754  0.82978142
   0.95387560  0.82169206  0.66404688
   0.71366060  0.92766053  0.71360228
   0.79444837  0.65686671  0.98061324
   0.54833449  0.63551164  0.89020386
   0.72300177  0.82404570  0.56458607
   0.51380678  0.82938308  0.39055172
   0.87359269  0.19518435  0.06367942
   0.94539402  0.37983679  0.31376929
   0.33581143  0.07998585  0.62327100
   0.24565603  0.71138720  0.75091781
   0.13877516  1.11253464  0.19041376
   0.24890178  1.11211548  0.03910218
   0.63371385  0.36407287  0.85175630
   0.92381897  0.46583669  0.70046188
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.003727    0.156164   -0.211521
    -0.000000    9.713626   -0.024097
    -0.000000    0.000000   14.031340
   Si   O    H 
    32    64    10
Direct configuration=  2384
   0.15116451  0.17304128 -0.03044430
   0.33255935  0.08629886  0.37028713
   0.13690836  0.42083927  0.09639407
   0.37935492  0.31727056  0.23203023
   0.05893335  0.14072765  0.49024235
   0.39068041  0.14178499  0.84871525
   0.11824793  0.39360932  0.62264094
   0.37879632  0.38801886  0.74200185
   0.13579004  0.69705683 -0.01109058
   0.39004880  0.57877319  0.35017389
   0.04885481  0.91435654  0.13559622
   0.31679787  0.82544018  0.22779623
   0.17623996  0.64538381  0.48212760
   0.38552485  0.62020918  0.86914251
   0.08575209  0.88049262  0.61437892
   0.34609240  0.95380962  0.67876453
   0.62554260  0.11370444  1.00376867
   0.82446059  0.10196310  0.34201106
   0.62696694  0.39602809  0.10419898
   0.88097060  0.27850809  0.14885138
   0.60014218  0.18882646  0.49071127
   0.87763204  0.08144789  0.88695677
   0.61160783  0.45278464  0.61959193
   0.76303067  0.35742956  0.80659091
   0.62868259  0.65963781 -0.00393393
   0.89338125  0.59333161  0.37007189
   0.56228743  0.88280926  0.12421657
   0.81358369  0.82652935  0.23516440
   0.62629743  0.66503957  0.45137648
   0.87257177  0.62705877  0.88142836
   0.61612178  0.90644987  0.61591891
   0.84791148  0.84979975  0.74464082
   0.06075816  0.08389388  0.15173231
   0.32695254  0.16409600  0.26424861
   0.10671601  0.33288635 -0.00366900
   0.34422138  0.42043877  0.32449952
   0.52205483  0.33569280  0.18484872
   0.26222504  0.36944652  0.15360479
   0.19813564  0.10041107  0.42543933
  -0.04361996  0.15011922  0.40638280
   0.03380070  0.01745082  0.56079996
   0.45790405  0.24842414  0.77251694
   0.05861107  0.28495908  0.54738085
   0.35429557  0.45901309  0.84708166
   0.48834112  0.47597092  0.68527274
   0.26364430  0.32902540  0.66690048
   0.24154700  0.17237998 -0.12645492
   0.00214031  0.10552982  0.95808530
   0.13584836  0.58104935  0.07516737
   0.35836513  0.66027728  0.24937465
   0.10986857  0.84616680  0.03844229
   0.36419157  0.91871244  0.33031059
   0.40023874  0.88963865  0.13858052
   0.16050333  0.85676375  0.21789912
   0.32182347  0.65341188  0.43740316
   0.05671981  0.63796250  0.39983216
   0.16875909  0.51788861  0.55815253
   0.35773789  0.69537960  0.76653524
   0.15711967  0.78204260  0.54071024
   0.38709462  0.99368510  0.79317384
   0.47047022  0.85981458  0.63455783
   0.19493802  0.90203756  0.70077855
   0.28645551  0.67779286 -0.04692356
   0.02675207  0.66353217  0.90503303
   0.58310391  0.04625279  0.10611723
   0.83472192  0.17480788  0.23433569
   0.65501003  0.28463275  0.02422381
   0.89008595  0.42967643  0.35868735
   0.01943357  0.38165002  0.17150588
   0.77755877  0.41105069  0.15320864
   0.70381010  0.16622659  0.40563364
   0.44940196  0.14936264  0.43499523
   0.60375112  0.07767018  0.57834078
   0.85158424  0.21530004  0.81699248
   0.59424813  0.34025314  0.53264782
   0.86487623  0.46703522  0.85709551
   1.01831615  0.46170269  0.70238299
   0.73968061  0.39461854  0.69011689
   0.74811641  0.05344636  0.94994304
   0.48206623  0.12536076  0.94686655
   0.57707859  0.54012513  0.06162470
   0.84995551  0.67584490  0.27377570
   0.59382850  0.81159681  0.02451833
   0.83487769  0.93715711  0.31794955
   0.89301577  0.87972328  0.14735908
   0.64610092  0.82605265  0.20919251
   0.78865831  0.63782904  0.44748968
   0.55583006  0.56491797  0.37194778
   0.62083171  0.60453505  0.56106548
   0.79820746  0.70958045  0.79598523
   0.58225129  0.82477625  0.44073832
   0.91931041  0.93677763  0.82916218
   0.95216345  0.82238487  0.66332256
   0.71446069  0.92540293  0.71400525
   0.79405163  0.65659492  0.98129333
   0.54910468  0.63559758  0.88911443
   0.72338400  0.81972535  0.56500196
   0.51926520  0.83435727  0.39028734
   0.88114684  0.19811691  0.06240435
   0.94268493  0.38073904  0.31968675
   0.33609612  0.08199881  0.61528835
   0.24947565  0.71048298  0.75088512
   0.13390706  1.11420761  0.18476068
   0.25127722  1.11027219  0.03565231
   0.63510000  0.36255949  0.84933086
   0.92466270  0.47105786  0.70344106
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.002730    0.153106   -0.213016
    -0.000000    9.713381   -0.020827
    -0.000000    0.000000   14.032654
   Si   O    H 
    32    64    10
Direct configuration=  2385
   0.15102223  0.17236772 -0.03028116
   0.33247019  0.08543466  0.37210764
   0.13693368  0.42097877  0.09606592
   0.37877499  0.31715093  0.23306461
   0.05958824  0.13977674  0.49053481
   0.39084377  0.14148878  0.84979005
   0.11805176  0.39436598  0.62262450
   0.37759297  0.38816326  0.74186617
   0.13664308  0.69755712 -0.01192296
   0.38910365  0.57941246  0.34970760
   0.04822787  0.91407739  0.13539978
   0.31833070  0.82744226  0.22727523
   0.17483598  0.64440820  0.48277632
   0.38662547  0.61962923  0.86921765
   0.08562320  0.87897792  0.61404083
   0.34564366  0.95398503  0.67768309
   0.62632320  0.11331583  1.00415374
   0.82609831  0.10271366  0.34142077
   0.62716668  0.39651109  0.10474905
   0.88088597  0.27883429  0.14910521
   0.60012302  0.18703930  0.49213601
   0.87923776  0.08000521  0.88673830
   0.61014658  0.45361761  0.61958022
   0.76267335  0.35766860  0.80701023
   0.62913156  0.66092367 -0.00382775
   0.89434562  0.59413328  0.36986670
   0.56382256  0.88447901  0.12372372
   0.81447147  0.82776541  0.23492310
   0.62724633  0.66459598  0.45156434
   0.87205288  0.62708578  0.88070416
   0.61821245  0.90816955  0.61661638
   0.84836583  0.84954320  0.74495713
   0.06027411  0.08273923  0.15037285
   0.32650170  0.16528854  0.26467284
   0.10821555  0.33349169 -0.00492396
   0.34375042  0.41844736  0.32396922
   0.52342606  0.33374234  0.18352111
   0.26438970  0.36861705  0.15335611
   0.19910192  0.10123437  0.42483978
  -0.04572322  0.15066512  0.40646757
   0.03448965  0.01710797  0.56108735
   0.45885858  0.24924015  0.77460763
   0.05819096  0.28510327  0.54811127
   0.35438162  0.45806265  0.84575658
   0.48830015  0.47658312  0.68603838
   0.26289421  0.32925105  0.66708608
   0.24055717  0.17223747 -0.12714333
   0.00188800  0.10700541  0.95913156
   0.13635775  0.58326536  0.07623385
   0.35762025  0.66067617  0.24880309
   0.10908035  0.84674561  0.03788607
   0.36462357  0.91835542  0.33041519
   0.39932174  0.88907529  0.13802021
   0.16165642  0.85769004  0.21855386
   0.32112745  0.65295711  0.43899457
   0.05810366  0.63960066  0.39987647
   0.16829198  0.51905297  0.55728346
   0.35675074  0.69509139  0.76716660
   0.15843208  0.78229402  0.54086511
   0.38848709  0.99247851  0.79297909
   0.46895705  0.85884459  0.63426133
   0.19394710  0.90223133  0.70022568
   0.28615415  0.67684234 -0.04732576
   0.02592533  0.66414627  0.90609727
   0.58330085  0.04650574  0.10500207
   0.83512475  0.17319656  0.23508902
   0.65601150  0.28225704  0.02421235
   0.89159294  0.42933725  0.35935203
   0.01836582  0.38093391  0.17151992
   0.77958537  0.41018455  0.15308933
   0.70384957  0.16676756  0.40478423
   0.45070049  0.14921932  0.43530654
   0.60206433  0.07597799  0.57915763
   0.85190143  0.21467274  0.81562012
   0.59319035  0.34094115  0.53184282
   0.86716017  0.46831840  0.85696671
   1.01909265  0.46139055  0.70239617
   0.73882453  0.39451104  0.68911880
   0.74739621  0.05307432  0.94897806
   0.48235821  0.12500797  0.94594527
   0.57648130  0.53988555  0.06130227
   0.84712320  0.67619792  0.27345457
   0.59243708  0.81149718  0.02334597
   0.83295969  0.93689277  0.31732992
   0.89228375  0.88053302  0.14842437
   0.64850410  0.82700277  0.20833525
   0.78822249  0.63836723  0.44729368
   0.55523405  0.56598805  0.37137315
   0.61933895  0.60391258  0.56115567
   0.79910827  0.70883059  0.79626285
   0.58280264  0.82507149  0.44075745
   0.92107581  0.93663256  0.82847190
   0.95071559  0.82196905  0.66287073
   0.71519956  0.92325074  0.71454474
   0.79386333  0.65567680  0.98194533
   0.54949735  0.63652620  0.88881699
   0.71813398  0.82211511  0.56636533
   0.51873287  0.84299074  0.38698684
   0.89107722  0.20054219  0.05930437
   0.95046905  0.37374297  0.31977606
   0.33582891  0.08037826  0.61092383
   0.26417078  0.70982572  0.75287225
   0.14102648  1.11947053  0.18464611
   0.25077520  1.10947202  0.03260367
   0.63374963  0.36304063  0.85108963
   0.91771947  0.47284085  0.70511795
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.001548    0.150741   -0.214128
    -0.000000    9.713078   -0.017806
    -0.000000    0.000000   14.033578
   Si   O    H 
    32    64    10
Direct configuration=  2386
   0.15090315  0.17184208 -0.03037584
   0.33284915  0.08575705  0.37394739
   0.13700072  0.42049569  0.09550139
   0.37809042  0.31688375  0.23401493
   0.06082594  0.13919021  0.49088208
   0.39158228  0.14076618  0.85052546
   0.11770140  0.39499178  0.62259597
   0.37702723  0.38817759  0.74168556
   0.13791244  0.69791161 -0.01294917
   0.38829262  0.57959424  0.34897426
   0.04750922  0.91376927  0.13535766
   0.31973466  0.82923249  0.22689814
   0.17343687  0.64349194  0.48339589
   0.38757907  0.61906309  0.87011689
   0.08476116  0.87804174  0.61425380
   0.34427834  0.95433916  0.67703124
   0.62653477  0.11337981  1.00417274
   0.82719695  0.10338244  0.34082543
   0.62760657  0.39637332  0.10518270
   0.88072925  0.27971152  0.14946463
   0.59944284  0.18482924  0.49331669
   0.88068811  0.07836986  0.88656751
   0.60897774  0.45412812  0.61942585
   0.76211704  0.35837553  0.80702788
   0.63001441  0.66191066 -0.00394303
   0.89533230  0.59516931  0.36983361
   0.56492231  0.88704639  0.12321145
   0.81500035  0.82859574  0.23538291
   0.62883432  0.66460167  0.45200932
   0.87145363  0.62713457  0.88000332
   0.62066801  0.90931420  0.61742996
   0.84886628  0.84996891  0.74562152
   0.06047086  0.08123417  0.14851984
   0.32687283  0.16652810  0.26485754
   0.11008637  0.33398462 -0.00643755
   0.34292415  0.41724611  0.32333245
   0.52511711  0.33252438  0.18224843
   0.26632563  0.36785896  0.15316704
   0.20000371  0.10197137  0.42485190
  -0.04695334  0.15094991  0.40660224
   0.03544569  0.01643704  0.56138310
   0.45905589  0.24968494  0.77657927
   0.05758991  0.28492488  0.54824704
   0.35408131  0.45664866  0.84438706
   0.48771269  0.47716645  0.68693413
   0.26192426  0.32870270  0.66735954
   0.23890601  0.17207490 -0.12801211
   0.00140665  0.10882867  0.95961951
   0.13583324  0.58513632  0.07703320
   0.35699417  0.66118037  0.24840452
   0.10833192  0.84647100  0.03727475
   0.36422676  0.91795659  0.33045577
   0.39789144  0.88871333  0.13758686
   0.16213550  0.85849361  0.21975975
   0.32103817  0.65205437  0.44004683
   0.05911577  0.64109493  0.39985464
   0.16751410  0.52035441  0.55612756
   0.35522857  0.69526169  0.76807215
   0.15906748  0.78262691  0.54107214
   0.39034359  0.99152577  0.79263061
   0.46764851  0.85816572  0.63445644
   0.19307543  0.90262827  0.69931913
   0.28553742  0.67632518 -0.04785514
   0.02415753  0.66558404  0.90714618
   0.58370989  0.04670619  0.10385897
   0.83560007  0.17180741  0.23575677
   0.65701940  0.28059095  0.02407825
   0.89300884  0.42884533  0.36023083
   0.01653070  0.38090992  0.17124710
   0.78056286  0.40893527  0.15278005
   0.70366926  0.16765914  0.40420346
   0.45208204  0.14859316  0.43553188
   0.60067579  0.07479068  0.57948516
   0.85197149  0.21366200  0.81448979
   0.59261038  0.34276884  0.53087001
   0.86889958  0.46987412  0.85701365
   1.01917583  0.46085477  0.70230461
   0.73895200  0.39457447  0.68865352
   0.74712062  0.05228657  0.94766344
   0.48219234  0.12505241  0.94532998
   0.57527032  0.53971930  0.06131282
   0.84459981  0.67665988  0.27335239
   0.59041118  0.81167658  0.02205596
   0.83092048  0.93648462  0.31751653
   0.89173492  0.88171715  0.14863650
   0.65087749  0.82771187  0.20783521
   0.78859683  0.63948610  0.44715929
   0.55377312  0.56776691  0.37076953
   0.61712343  0.60291304  0.56083681
   0.79979923  0.70826981  0.79628565
   0.58328390  0.82551159  0.44035325
   0.92259694  0.93628192  0.82783503
   0.94974415  0.82166048  0.66198716
   0.71571666  0.92124392  0.71533432
   0.79348186  0.65437021  0.98230241
   0.54991022  0.63698938  0.88855158
   0.71446472  0.82731880  0.56633778
   0.51809046  0.85545653  0.38583761
   0.89829706  0.20572515  0.05672424
   0.95661069  0.36828393  0.32017347
   0.33172184  0.07672378  0.60938005
   0.26940586  0.71238457  0.75394191
   0.14076600  1.12087868  0.18084653
   0.24957311  1.10702280  0.03039095
   0.62785199  0.35962968  0.85403729
   0.91496431  0.46908802  0.70657840
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.000635    0.148189   -0.214876
    -0.000000    9.712802   -0.014495
    -0.000000    0.000000   14.034599
   Si   O    H 
    32    64    10
Direct configuration=  2387
   0.15036027  0.17178877 -0.03061425
   0.33392900  0.08622112  0.37482484
   0.13670814  0.41993862  0.09488605
   0.37719536  0.31631871  0.23465905
   0.06189729  0.13872752  0.49143189
   0.39242291  0.13925697  0.85083388
   0.11748525  0.39621385  0.62290005
   0.37573559  0.38738427  0.74135596
   0.13906296  0.69844313 -0.01404701
   0.38744071  0.57946676  0.34856453
   0.04761442  0.91266616  0.13533052
   0.32130637  0.83055235  0.22665122
   0.17284446  0.64283988  0.48397837
   0.38879404  0.61814046  0.87084053
   0.08433357  0.87715173  0.61444013
   0.34356935  0.95505811  0.67670182
   0.62673806  0.11375533  1.00453194
   0.82903435  0.10426317  0.34052122
   0.62846487  0.39632281  0.10532890
   0.88102228  0.27995279  0.14998670
   0.59840651  0.18324676  0.49452049
   0.88217924  0.07681389  0.88624197
   0.60863468  0.45484015  0.61879575
   0.76123080  0.35852085  0.80666623
   0.63093199  0.66286064 -0.00479884
   0.89629923  0.59583591  0.36999809
   0.56534751  0.88910904  0.12213479
   0.81545309  0.82958628  0.23608940
   0.63003430  0.66451777  0.45238209
   0.87072918  0.62757512  0.87997484
   0.62326657  0.91022616  0.61807992
   0.84975308  0.84994394  0.74681820
   0.06067016  0.08006097  0.14661112
   0.32683249  0.16745189  0.26567373
   0.11233529  0.33455802 -0.00782782
   0.34266485  0.41647133  0.32286851
   0.52729666  0.33230490  0.18128130
   0.26838560  0.36713544  0.15289994
   0.19896670  0.10283098  0.42538121
  -0.04798131  0.15122760  0.40647659
   0.03553450  0.01540750  0.56176285
   0.45941340  0.25053473  0.77852768
   0.05596339  0.28339594  0.54821023
   0.35339088  0.45460026  0.84331509
   0.48680381  0.47778571  0.68745308
   0.26063391  0.32860081  0.66769957
   0.23740108  0.17217535 -0.12892809
   0.00161731  0.10959485  0.95985209
   0.13523879  0.58664451  0.07717877
   0.35585137  0.66119718  0.24779438
   0.10681863  0.84688258  0.03688244
   0.36285042  0.91769924  0.33107944
   0.39699953  0.88808225  0.13715749
   0.16202597  0.85930213  0.22060859
   0.32081231  0.65130954  0.44087959
   0.05934708  0.64279652  0.39962794
   0.16709458  0.52167462  0.55488252
   0.35491789  0.69533569  0.76958471
   0.16002542  0.78235529  0.54111449
   0.39085261  0.99039479  0.79193101
   0.46615008  0.85804069  0.63423812
   0.19245320  0.90371847  0.69871506
   0.28551408  0.67607602 -0.04789533
   0.02354174  0.66729661  0.90804546
   0.58409383  0.04738276  0.10303007
   0.83637623  0.17095609  0.23608632
   0.65763608  0.27915196  0.02377599
   0.89455657  0.42828509  0.36069996
   0.01486423  0.38047485  0.17157722
   0.78090669  0.40755428  0.15294334
   0.70389600  0.16801977  0.40428518
   0.45281061  0.14827140  0.43593331
   0.60040053  0.07389110  0.58020355
   0.85149732  0.21293437  0.81345808
   0.59182490  0.34389776  0.52973365
   0.87055809  0.47034854  0.85704038
   1.01955532  0.46121037  0.70124884
   0.73903982  0.39463147  0.68834372
   0.74760840  0.05104353  0.94669605
   0.48259573  0.12564076  0.94475004
   0.57458836  0.53924563  0.06131805
   0.84272639  0.67698847  0.27300165
   0.58862339  0.81315615  0.02147448
   0.82919060  0.93656761  0.31823448
   0.89090813  0.88218241  0.14832967
   0.65344218  0.82798391  0.20777134
   0.78855913  0.64093565  0.44724230
   0.55161702  0.57022551  0.37060237
   0.61460527  0.60207368  0.56067145
   0.80040149  0.70776060  0.79662039
   0.58408111  0.82611801  0.44023760
   0.92403471  0.93640130  0.82774025
   0.94878713  0.82122767  0.66166704
   0.71500530  0.91987593  0.71589037
   0.79301761  0.65437804  0.98273294
   0.55040185  0.63799091  0.88864369
   0.71079859  0.83357291  0.56457976
   0.51840818  0.86350507  0.38900008
   0.90425126  0.21004024  0.05582911
   0.95625618  0.37154139  0.32289069
   0.32860570  0.06722517  0.60745816
   0.26002406  0.71511245  0.75123328
   0.14081738  1.12235219  0.17838127
   0.24927796  1.10107209  0.03063372
   0.62685826  0.35724598  0.85648397
   0.91806388  0.46602345  0.70442770
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.999462    0.144887   -0.215810
    -0.000000    9.712554   -0.011427
    -0.000000    0.000000   14.035684
   Si   O    H 
    32    64    10
Direct configuration=  2388
   0.15034491  0.17215652 -0.03072145
   0.33453933  0.08651781  0.37527866
   0.13624587  0.42011251  0.09478865
   0.37728771  0.31586995  0.23518150
   0.06329117  0.13872753  0.49167789
   0.39345927  0.13835104  0.85059172
   0.11724798  0.39730442  0.62312098
   0.37463594  0.38633939  0.74104923
   0.13905516  0.69881709 -0.01532030
   0.38688441  0.57936018  0.34812504
   0.04825326  0.91164940  0.13529459
   0.32209938  0.83192105  0.22653229
   0.17194805  0.64266706  0.48440835
   0.38960574  0.61759944  0.87201026
   0.08347981  0.87604989  0.61493541
   0.34290125  0.95580156  0.67677204
   0.62627580  0.11363909  1.00472566
   0.83090051  0.10488174  0.34021517
   0.62909393  0.39599281  0.10536900
   0.88092235  0.27989675  0.15077050
   0.59733606  0.18197201  0.49534970
   0.88329497  0.07621101  0.88553231
   0.60873410  0.45552516  0.61849191
   0.76074047  0.35879635  0.80618872
   0.63148382  0.66376855 -0.00599636
   0.89727431  0.59649469  0.36979323
   0.56547189  0.89142886  0.12134777
   0.81471416  0.83023852  0.23672455
   0.63055218  0.66425961  0.45300074
   0.87026453  0.62805607  0.88043163
   0.62545727  0.91129892  0.61892693
   0.85075652  0.84944019  0.74801612
   0.06205418  0.07962128  0.14519955
   0.32683425  0.16814418  0.26661748
   0.11502537  0.33560452 -0.00884322
   0.34315152  0.41692036  0.32344097
   0.52838880  0.33236856  0.18008921
   0.27068196  0.36580289  0.15258487
   0.19746345  0.10321273  0.42656903
  -0.04830365  0.15174613  0.40672274
   0.03493792  0.01469988  0.56269379
   0.45986177  0.25027541  0.77997318
   0.05430806  0.28198861  0.54864255
   0.35245377  0.45290020  0.84262027
   0.48574806  0.47797868  0.68757227
   0.25938759  0.32916105  0.66818097
   0.23502003  0.17217259 -0.12935826
   0.00180996  0.10995876  0.96034744
   0.13455127  0.58753976  0.07723696
   0.35467146  0.66159843  0.24736895
   0.10525978  0.84663080  0.03668675
   0.36137490  0.91705654  0.33166324
   0.39638641  0.88707147  0.13688340
   0.16207598  0.86038308  0.22074919
   0.32066138  0.65024926  0.44190526
   0.05874949  0.64424541  0.39944882
   0.16697212  0.52249759  0.55422242
   0.35301500  0.69508002  0.77100093
   0.16174063  0.78196263  0.54110998
   0.39126568  0.98963512  0.79135021
   0.46528131  0.85791168  0.63413323
   0.19173585  0.90520018  0.69787403
   0.28674082  0.67579255 -0.04762192
   0.02217659  0.66883985  0.90891011
   0.58473814  0.04766749  0.10179016
   0.83708067  0.17052992  0.23605053
   0.65876402  0.27782918  0.02351483
   0.89577927  0.42799086  0.36121516
   0.01349032  0.37932639  0.17191291
   0.78121437  0.40685269  0.15313829
   0.70501258  0.16928235  0.40457356
   0.45350769  0.14870187  0.43632064
   0.60097794  0.07241149  0.58087644
   0.85060617  0.21180444  0.81228414
   0.59081988  0.34454543  0.52886603
   0.87167596  0.47061569  0.85727608
   1.01974474  0.46148293  0.70106439
   0.73915642  0.39456167  0.68826769
   0.74880558  0.04947588  0.94559590
   0.48401708  0.12635991  0.94481049
   0.57463974  0.53821399  0.06184703
   0.84208844  0.67765234  0.27211818
   0.58657008  0.81421494  0.02133882
   0.82825415  0.93791830  0.31929630
   0.89048987  0.88217871  0.14772941
   0.65544780  0.82953760  0.20755300
   0.78874423  0.64187965  0.44790299
   0.54905532  0.57288559  0.36985601
   0.61242494  0.60167837  0.55999301
   0.80103339  0.70755186  0.79668721
   0.58405523  0.82712560  0.43964762
   0.92549201  0.93713102  0.82761616
   0.94757014  0.82038222  0.66136185
   0.71344505  0.91972519  0.71662518
   0.79244575  0.65478998  0.98319095
   0.55101906  0.63937980  0.88938836
   0.71288072  0.83441685  0.55980459
   0.52182946  0.86531545  0.39534610
   0.90505293  0.21314707  0.05672654
   0.95704326  0.37623353  0.32823273
   0.32632189  0.06284438  0.60633394
   0.25343619  0.71543812  0.74996241
   0.13860072  1.11835466  0.17400179
   0.24610296  1.09598531  0.03318204
   0.62849502  0.35762255  0.85671814
   0.92590400  0.46245870  0.69816974
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.998195    0.140707   -0.216438
    -0.000000    9.712564   -0.008221
    -0.000000    0.000000   14.036479
   Si   O    H 
    32    64    10
Direct configuration=  2389
   0.15104874  0.17273389 -0.03049483
   0.33506404  0.08670049  0.37535079
   0.13578758  0.42043008  0.09529333
   0.37771936  0.31582979  0.23543800
   0.06424659  0.13864255  0.49148854
   0.39401955  0.13736216  0.85007767
   0.11634700  0.39828504  0.62330454
   0.37348109  0.38561756  0.74065325
   0.13841921  0.69929007 -0.01634954
   0.38681688  0.57860660  0.34777039
   0.04929741  0.91082860  0.13560473
   0.32291990  0.83274233  0.22661883
   0.17136431  0.64248254  0.48452423
   0.39012730  0.61697405  0.87278690
   0.08265968  0.87489007  0.61532440
   0.34238572  0.95621564  0.67715105
   0.62583875  0.11376573  1.00460577
   0.83293561  0.10582862  0.33995423
   0.62959946  0.39610246  0.10556425
   0.88110804  0.27946012  0.15129154
   0.59671587  0.18053043  0.49587027
   0.88437779  0.07593891  0.88470620
   0.60890969  0.45601940  0.61802014
   0.75994610  0.35896814  0.80506576
   0.63165802  0.66411783 -0.00765901
   0.89797038  0.59662583  0.36971479
   0.56603251  0.89334151  0.12086114
   0.81357796  0.83025522  0.23765809
   0.63042314  0.66336641  0.45370165
   0.86973825  0.62868015  0.88102078
   0.62656372  0.91258847  0.61947054
   0.85182884  0.84800981  0.74912671
   0.06255494  0.07894693  0.14353194
   0.32722642  0.16931297  0.26777223
   0.11665913  0.33683817 -0.00984683
   0.34377487  0.41882491  0.32391951
   0.52841063  0.33193409  0.17978758
   0.27255783  0.36478463  0.15138371
   0.19613924  0.10385102  0.42790576
  -0.04922609  0.15280310  0.40697167
   0.03426172  0.01356310  0.56362078
   0.45993989  0.25043554  0.78161596
   0.05244156  0.28093162  0.54936512
   0.35118577  0.45175370  0.84167125
   0.48503204  0.47842504  0.68762505
   0.25685912  0.32961127  0.66903870
   0.23261652  0.17196814 -0.13011114
   0.00126963  0.11020246  0.96117480
   0.13350559  0.58789764  0.07732566
   0.35364751  0.66279720  0.24729155
   0.10391110  0.84652623  0.03612795
   0.36034305  0.91732967  0.33212580
   0.39626747  0.88592250  0.13623385
   0.16161689  0.86124399  0.22100324
   0.32066629  0.64826030  0.44228157
   0.05772906  0.64556448  0.39937964
   0.16696406  0.52226403  0.55424829
   0.35134097  0.69560780  0.77201836
   0.16345993  0.78228829  0.54145558
   0.39242039  0.98977014  0.79067870
   0.46524442  0.85842342  0.63427623
   0.19097124  0.90648244  0.69753464
   0.28855650  0.67561406 -0.04712240
   0.02243327  0.67033813  0.90949363
   0.58598952  0.04710745  0.10072205
   0.83777584  0.17123005  0.23665974
   0.65985496  0.27627093  0.02323484
   0.89666853  0.42841767  0.36227527
   0.01270392  0.37802111  0.17237008
   0.78018115  0.40669212  0.15322170
   0.70605501  0.17084081  0.40464343
   0.45430387  0.14962806  0.43640911
   0.60155340  0.07182333  0.58216779
   0.85008444  0.20978086  0.81174097
   0.58948747  0.34470467  0.52826315
   0.87301045  0.47017755  0.85815206
   1.02077311  0.46159240  0.70137164
   0.73813634  0.39505073  0.68739387
   0.75051870  0.04802658  0.94449407
   0.48527963  0.12698333  0.94471507
   0.57423302  0.53784195  0.06259048
   0.84231279  0.67856050  0.27094820
   0.58452505  0.81530098  0.02174416
   0.82741230  0.93953635  0.32059081
   0.89053947  0.88159519  0.14691076
   0.65708311  0.83042259  0.20741025
   0.78855058  0.64277496  0.44877791
   0.54658155  0.57649761  0.36890037
   0.61034446  0.60100998  0.55941019
   0.80222968  0.70775354  0.79671250
   0.58477394  0.82786530  0.43970610
   0.92729208  0.93803860  0.82762277
   0.94778531  0.81914750  0.66082429
   0.71186857  0.92007676  0.71777837
   0.79151961  0.65488772  0.98365113
   0.55160163  0.64027082  0.89059747
   0.71580320  0.83323683  0.55532908
   0.51965234  0.86819009  0.39609992
   0.90289425  0.21607649  0.06059673
   0.96546861  0.37739319  0.32741748
   0.32497681  0.06237764  0.60568827
   0.26035429  0.71481742  0.75210966
   0.14477117  1.11676671  0.17205531
   0.23965191  1.09534064  0.03696107
   0.63337160  0.35970940  0.85800494
   0.92410425  0.46062657  0.69255398
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.996864    0.136246   -0.216591
    -0.000000    9.712833   -0.004942
    -0.000000    0.000000   14.036957
   Si   O    H 
    32    64    10
Direct configuration=  2390
   0.15136759  0.17389779 -0.03043320
   0.33506185  0.08695230  0.37545687
   0.13581607  0.42033460  0.09566448
   0.37805809  0.31604732  0.23562432
   0.06469207  0.13860609  0.49152717
   0.39402000  0.13629247  0.84960721
   0.11570343  0.39887007  0.62299766
   0.37206353  0.38415948  0.74084347
   0.13741471  0.69927552 -0.01647355
   0.38665294  0.57781216  0.34733207
   0.05051667  0.91037582  0.13584307
   0.32355344  0.83324471  0.22749144
   0.17100521  0.64201273  0.48428567
   0.39025378  0.61653938  0.87352730
   0.08165302  0.87409330  0.61560904
   0.34174007  0.95671733  0.67794347
   0.62566771  0.11433989  1.00417595
   0.83445753  0.10705998  0.33982282
   0.63012077  0.39641749  0.10548307
   0.88105517  0.27884033  0.15201712
   0.59569000  0.17968936  0.49611247
   0.88510974  0.07620542  0.88382212
   0.60843777  0.45654542  0.61716413
   0.75959246  0.35890719  0.80410763
   0.63171565  0.66440943 -0.00926259
   0.89939348  0.59644041  0.36970797
   0.56606534  0.89443039  0.12081367
   0.81301798  0.83074830  0.23871155
   0.62930208  0.66244940  0.45389317
   0.86962505  0.62904573  0.88216312
   0.62725727  0.91419270  0.61981529
   0.85163546  0.84669528  0.74953721
   0.06297374  0.07916328  0.14193769
   0.32762257  0.17020458  0.26938100
   0.11763280  0.33836804 -0.00980152
   0.34391752  0.42115926  0.32477863
   0.52715110  0.33134401  0.18003478
   0.27345980  0.36386449  0.15005107
   0.19417443  0.10461326  0.42983109
  -0.04981261  0.15341917  0.40710329
   0.03375988  0.01313292  0.56440551
   0.45977592  0.25063796  0.78268226
   0.05103520  0.27973692  0.55025414
   0.34914126  0.45058627  0.84136257
   0.48466942  0.47831371  0.68841050
   0.25462863  0.33077793  0.66957940
   0.23095558  0.17244200 -0.13026626
   0.00120490  0.11025766  0.96130039
   0.13228880  0.58775553  0.07714716
   0.35324802  0.66433076  0.24685272
   0.10198573  0.84595732  0.03583618
   0.35931898  0.91792643  0.33205502
   0.39720335  0.88536926  0.13637619
   0.16159817  0.86177741  0.22084533
   0.32118487  0.64555490  0.44204231
   0.05668169  0.64642315  0.39879451
   0.16658081  0.52100075  0.55440755
   0.34979802  0.69566545  0.77337364
   0.16470466  0.78204714  0.54116288
   0.39301474  0.98987003  0.78995101
   0.46588524  0.85909579  0.63473110
   0.19082729  0.90808812  0.69748314
   0.29050057  0.67582788 -0.04720130
   0.02312950  0.67269316  0.91004783
   0.58727170  0.04695121  0.10004969
   0.83829469  0.17189293  0.23663279
   0.66139634  0.27499647  0.02346659
   0.89835908  0.42866702  0.36327040
   0.01222273  0.37741088  0.17255227
   0.77853687  0.40676382  0.15274963
   0.70691161  0.17162136  0.40442940
   0.45487153  0.15061101  0.43688484
   0.60201904  0.07202055  0.58346368
   0.84930511  0.20857258  0.81121311
   0.58829158  0.34509201  0.52808747
   0.87304574  0.46935105  0.85854670
   1.02154802  0.46106089  0.70229654
   0.73737639  0.39726913  0.68698844
   0.75171357  0.04639545  0.94369401
   0.48609418  0.12722347  0.94450064
   0.57454481  0.53901206  0.06342243
   0.84289632  0.67939692  0.26972411
   0.58347087  0.81634479  0.02267647
   0.82751208  0.94144020  0.32218366
   0.89076473  0.88125105  0.14602384
   0.65859364  0.83163133  0.20717026
   0.78949208  0.64404380  0.44988758
   0.54454848  0.58008305  0.36892831
   0.60889747  0.59986769  0.55929832
   0.80311657  0.70802011  0.79712824
   0.58516568  0.82839290  0.43984767
   0.92920892  0.93902981  0.82815295
   0.94743287  0.81797419  0.66021134
   0.71004033  0.91987754  0.71874439
   0.79063797  0.65442746  0.98400588
   0.55153671  0.64085386  0.89123279
   0.71755324  0.83273738  0.55250869
   0.51364355  0.87243905  0.39396032
   0.89840271  0.21854417  0.06464794
   0.97100609  0.38046039  0.32485034
   0.32242504  0.06113924  0.60523839
   0.26424704  0.71889862  0.75334795
   0.14807930  1.11548089  0.16856552
   0.23493997  1.09641498  0.04005806
   0.63875054  0.36353753  0.85961387
   0.92292283  0.45883006  0.68701325
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.995100    0.131508   -0.216772
    -0.000000    9.713637   -0.001855
    -0.000000    0.000000   14.037434
   Si   O    H 
    32    64    10
Direct configuration=  2391
   0.15140097  0.17416090 -0.03000907
   0.33517283  0.08684091  0.37521284
   0.13587151  0.42014471  0.09583993
   0.37781469  0.31646228  0.23554705
   0.06481265  0.13861124  0.49182683
   0.39385023  0.13450518  0.84962527
   0.11459961  0.39876117  0.62232028
   0.37156874  0.38240355  0.74141000
   0.13644526  0.69937560 -0.01641444
   0.38684822  0.57735255  0.34711075
   0.05143136  0.90944689  0.13600344
   0.32346234  0.83342538  0.22876649
   0.17111070  0.64150065  0.48379567
   0.39001017  0.61567823  0.87420351
   0.08051838  0.87326029  0.61554562
   0.34150199  0.95720092  0.67901821
   0.62512855  0.11507589  1.00311236
   0.83548887  0.10817047  0.33994087
   0.63011897  0.39660338  0.10526417
   0.88135026  0.27768963  0.15276246
   0.59497327  0.17904938  0.49592306
   0.88604269  0.07656550  0.88337383
   0.60784813  0.45697484  0.61619548
   0.75894080  0.35822307  0.80340301
   0.63161023  0.66468072 -0.00993555
   0.90067296  0.59638721  0.36986386
   0.56558306  0.89490406  0.12118192
   0.81256446  0.83097681  0.23985298
   0.62871474  0.66151411  0.45377454
   0.87046687  0.62910966  0.88333346
   0.62733918  0.91583245  0.61975330
   0.85141977  0.84542500  0.75018946
   0.06388359  0.07956993  0.14069600
   0.32845161  0.16957865  0.27084666
   0.11895236  0.33939276 -0.00924803
   0.34436784  0.42300766  0.32592585
   0.52471537  0.32994769  0.18041983
   0.27456915  0.36295882  0.14944802
   0.19309444  0.10505424  0.43160594
  -0.04956267  0.15338136  0.40787866
   0.03308930  0.01294950  0.56443327
   0.45976445  0.24990656  0.78334528
   0.04970524  0.27857097  0.55162712
   0.34747713  0.45021163  0.84121391
   0.48403850  0.47866662  0.68936834
   0.25268782  0.33143018  0.67013026
   0.23038479  0.17281416 -0.12958621
   0.00166233  0.10968423  0.96153630
   0.13152186  0.58717039  0.07734366
   0.35228585  0.66523145  0.24653497
   0.10022580  0.84471336  0.03562918
   0.35834200  0.91957702  0.33235136
   0.39716420  0.88470388  0.13635654
   0.16099770  0.86342178  0.22055079
   0.32229965  0.64286519  0.44176193
   0.05543700  0.64717770  0.39840265
   0.16635575  0.51884851  0.55502048
   0.34878427  0.69601271  0.77499944
   0.16528499  0.78166654  0.54096159
   0.39285676  0.99001110  0.78970635
   0.46742159  0.85980209  0.63563349
   0.19041124  0.90943083  0.69756541
   0.29344766  0.67662032 -0.04702045
   0.02365548  0.67499773  0.90941442
   0.58976933  0.04675848  0.09977458
   0.83882864  0.17200586  0.23608572
   0.66237972  0.27530160  0.02396837
   0.90022604  0.42935991  0.36394401
   0.01330939  0.37716338  0.17275516
   0.77559192  0.40728636  0.15158559
   0.70770418  0.17207886  0.40411762
   0.45509859  0.15216937  0.43708628
   0.60302366  0.07192724  0.58415657
   0.84893490  0.20751984  0.81048705
   0.58644764  0.34548802  0.52797808
   0.87308441  0.46817195  0.85888280
   1.02266600  0.46013934  0.70271660
   0.73695257  0.39977448  0.68627625
   0.75212757  0.04521487  0.94321243
   0.48573841  0.12795338  0.94421053
   0.57486628  0.54077160  0.06432416
   0.84344629  0.67927087  0.26836341
   0.58232986  0.81707427  0.02314880
   0.82816237  0.94266065  0.32389834
   0.89115329  0.88124786  0.14593264
   0.66001307  0.83263139  0.20635886
   0.79028571  0.64504379  0.45120446
   0.54349057  0.58299632  0.36935576
   0.60753940  0.59832068  0.55906310
   0.80336879  0.70782590  0.79704556
   0.58615260  0.82905670  0.43990938
   0.93116422  0.94060159  0.82873322
   0.94633261  0.81587471  0.65960768
   0.70888584  0.91930061  0.72013302
   0.79074104  0.65545274  0.98457196
   0.55034619  0.64048121  0.89172602
   0.71732453  0.83472329  0.55338639
   0.50910754  0.87032552  0.39333016
   0.89466900  0.21774779  0.06589981
   0.97346472  0.38611028  0.32232586
   0.32332752  0.06478514  0.60682300
   0.26000612  0.72619935  0.75185862
   0.14601724  1.11187708  0.16618471
   0.23429160  1.09808946  0.03889253
   0.63988585  0.36881043  0.86108711
   0.92758262  0.45641865  0.68578486
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993568    0.126963   -0.217253
    -0.000000    9.714613    0.001532
    -0.000000    0.000000   14.037711
   Si   O    H 
    32    64    10
Direct configuration=  2392
   0.15133187  0.17420401 -0.02943506
   0.33595434  0.08667955  0.37499554
   0.13618004  0.41984813  0.09606275
   0.37795530  0.31712455  0.23493310
   0.06461082  0.13833573  0.49211867
   0.39321298  0.13269330  0.84954370
   0.11308549  0.39843824  0.62194277
   0.37126303  0.38055487  0.74191370
   0.13593672  0.69955644 -0.01589484
   0.38623083  0.57703871  0.34664800
   0.05155113  0.90839074  0.13592257
   0.32313666  0.83353870  0.22991990
   0.17121393  0.64070035  0.48335894
   0.39014746  0.61420910  0.87442679
   0.07967043  0.87263840  0.61567045
   0.34170767  0.95748004  0.68014995
   0.62551960  0.11588892  1.00181541
   0.83572933  0.11000074  0.34016034
   0.63077187  0.39619878  0.10483051
   0.88242881  0.27697039  0.15372995
   0.59416711  0.17806946  0.49552205
   0.88694786  0.07724930  0.88300456
   0.60659408  0.45714639  0.61548753
   0.75863837  0.35689933  0.80277949
   0.63118244  0.66445275 -0.01016315
   0.90170911  0.59651440  0.36983364
   0.56481640  0.89470690  0.12132814
   0.81216425  0.83205339  0.24076957
   0.62858960  0.66100778  0.45349271
   0.87178917  0.62926179  0.88470255
   0.62731680  0.91753475  0.61970266
   0.85131652  0.84531595  0.75108203
   0.06462379  0.07920965  0.14005024
   0.32890067  0.16867726  0.27284448
   0.12026474  0.34039459 -0.00812267
   0.34434506  0.42488762  0.32634941
   0.52202475  0.32848273  0.18112569
   0.27500865  0.36212001  0.14896109
   0.19359428  0.10607170  0.43346236
  -0.04913418  0.15307505  0.40817996
   0.03252800  0.01338524  0.56368548
   0.45973549  0.24993620  0.78383404
   0.04823606  0.27823280  0.55301087
   0.34531370  0.45069764  0.84150147
   0.48416249  0.47918302  0.69012475
   0.25071973  0.33180429  0.67085158
   0.23094407  0.17312830 -0.12882638
   0.00157849  0.10885898  0.96155041
   0.13042474  0.58683321  0.07739887
   0.35150719  0.66677662  0.24663458
   0.09926537  0.84341316  0.03528545
   0.35751406  0.92094378  0.33266761
   0.39777174  0.88461678  0.13710236
   0.16022960  0.86342731  0.22001544
   0.32333819  0.63951655  0.44050441
   0.05385063  0.64719653  0.39779630
   0.16609496  0.51694468  0.55544202
   0.34866158  0.69668082  0.77670665
   0.16556714  0.78152971  0.54070867
   0.39364548  0.98994478  0.78961680
   0.46940901  0.85972590  0.63655556
   0.18941513  0.90987406  0.69737880
   0.29558241  0.67686830 -0.04610439
   0.02378002  0.67765173  0.90832675
   0.59244759  0.04734751  0.10008775
   0.83974510  0.17171761  0.23564972
   0.66269210  0.27628516  0.02406611
   0.90230838  0.43003736  0.36482957
   0.01489389  0.37674965  0.17308858
   0.77305302  0.40907905  0.15074874
   0.70747157  0.17204119  0.40430636
   0.45561478  0.15328327  0.43730482
   0.60364134  0.07193980  0.58408176
   0.84889550  0.20730015  0.80997282
   0.58439280  0.34593575  0.52836298
   0.87297815  0.46632037  0.85881791
   1.02355838  0.45837394  0.70297937
   0.73627459  0.40155290  0.68611104
   0.75310657  0.04426483  0.94382743
   0.48519358  0.12813781  0.94460943
   0.57478308  0.54231045  0.06517662
   0.84456466  0.67833079  0.26747625
   0.58070121  0.81717466  0.02338249
   0.82937194  0.94388899  0.32605252
   0.89209209  0.88166085  0.14558951
   0.66127046  0.83376188  0.20566390
   0.79172601  0.64636231  0.45290304
   0.54250904  0.58572562  0.37005491
   0.60559783  0.59706240  0.55898895
   0.80301403  0.70841987  0.79719930
   0.58731538  0.83000738  0.44001832
   0.93345306  0.94171945  0.82934104
   0.94567212  0.81417655  0.65898658
   0.70811888  0.91971728  0.72157975
   0.79069707  0.65605348  0.98472116
   0.54926448  0.63904141  0.89230589
   0.71241268  0.84022401  0.56005104
   0.50978814  0.86325270  0.39629584
   0.89057300  0.21047074  0.06387578
   0.97405845  0.39519757  0.32554259
   0.32363562  0.07189141  0.60800986
   0.25427668  0.73251117  0.75325711
   0.14773415  1.11129264  0.16655582
   0.23517734  1.09999901  0.03750418
   0.64130047  0.37135624  0.86221465
   0.93083448  0.45494705  0.68523474
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992068    0.122337   -0.217647
    -0.000000    9.715241    0.004477
    -0.000000    0.000000   14.037992
   Si   O    H 
    32    64    10
Direct configuration=  2393
   0.15097302  0.17451214 -0.02858334
   0.33635296  0.08671126  0.37440868
   0.13625318  0.41935852  0.09628292
   0.37829357  0.31739908  0.23457839
   0.06423352  0.13778475  0.49257174
   0.39304076  0.13105625  0.84918713
   0.11169135  0.39768925  0.62183439
   0.37079339  0.37899525  0.74229757
   0.13568690  0.69904937 -0.01535694
   0.38586011  0.57649468  0.34615692
   0.05187539  0.90757852  0.13546787
   0.32270111  0.83363654  0.23107117
   0.17126637  0.63959240  0.48247665
   0.39018823  0.61261996  0.87426040
   0.07916740  0.87232674  0.61576938
   0.34229814  0.95755912  0.68109360
   0.62636027  0.11673942  1.00032948
   0.83501254  0.11103425  0.34036883
   0.63156606  0.39549833  0.10417841
   0.88363750  0.27627979  0.15509214
   0.59366814  0.17759151  0.49448638
   0.88785434  0.07819145  0.88315870
   0.60557645  0.45673453  0.61473568
   0.75892202  0.35571347  0.80192931
   0.63047922  0.66369722 -0.01053010
   0.90282625  0.59675317  0.36974097
   0.56397735  0.89362899  0.12195645
   0.81192368  0.83349801  0.24120401
   0.62827188  0.66139387  0.45301012
   0.87335115  0.62867828  0.88565240
   0.62723229  0.91908732  0.61956042
   0.85142943  0.84568613  0.75191833
   0.06553508  0.07836319  0.13944195
   0.32952466  0.16856017  0.27455139
   0.12194060  0.34127853 -0.00706786
   0.34353298  0.42652042  0.32662662
   0.51886508  0.32681823  0.18171436
   0.27558088  0.36115538  0.14856310
   0.19481647  0.10777489  0.43454281
  -0.04844265  0.15287869  0.40861463
   0.03269774  0.01322094  0.56301743
   0.45923771  0.24966139  0.78492511
   0.04682417  0.27761863  0.55463923
   0.34384941  0.45138598  0.84200125
   0.48499074  0.47963625  0.69040233
   0.24850095  0.33162327  0.67168151
   0.23200614  0.17257367 -0.12834345
   0.00175496  0.10903583  0.96145979
   0.12931495  0.58676835  0.07786814
   0.35043069  0.66811060  0.24664822
   0.09811944  0.84199246  0.03609253
   0.35737761  0.92295092  0.33318596
   0.39932416  0.88432759  0.13796945
   0.15940322  0.86332693  0.21877293
   0.32391349  0.63718278  0.43925031
   0.05211665  0.64750963  0.39707248
   0.16583451  0.51539158  0.55527667
   0.34831091  0.69787512  0.77820786
   0.16643111  0.78143025  0.54008625
   0.39345381  0.99002614  0.79020843
   0.47072675  0.85978306  0.63770360
   0.18841602  0.90950294  0.69714126
   0.29647892  0.67628422 -0.04555798
   0.02373429  0.68053542  0.90654448
   0.59534619  0.04871544  0.10061917
   0.84075247  0.17293750  0.23520512
   0.66228178  0.27796313  0.02359562
   0.90416542  0.43069582  0.36577404
   0.01628420  0.37556699  0.17388271
   0.77139316  0.41096228  0.14985865
   0.70664855  0.17106283  0.40517748
   0.45457362  0.15399738  0.43779202
   0.60454352  0.07269560  0.58369982
   0.84824931  0.20667916  0.80960105
   0.58205951  0.34590819  0.52866751
   0.87237244  0.46433789  0.85839689
   1.02403521  0.45717741  0.70327757
   0.73612585  0.40319981  0.68545061
   0.75353466  0.04281068  0.94492143
   0.48390234  0.12795202  0.94458467
   0.57517903  0.54370176  0.06555679
   0.84627221  0.67762384  0.26668072
   0.57926795  0.81653492  0.02279736
   0.83096448  0.94393237  0.32848884
   0.89306450  0.88192100  0.14559087
   0.66093508  0.83454444  0.20457383
   0.79309999  0.64776556  0.45418741
   0.54178852  0.58736887  0.37015890
   0.60337116  0.59683910  0.55883528
   0.80333640  0.70891070  0.79758912
   0.58847798  0.83085398  0.43957162
   0.93499943  0.94239949  0.83002249
   0.94465589  0.81342275  0.65859433
   0.70673097  0.92002594  0.72282119
   0.79009908  0.65634446  0.98475158
   0.54786596  0.63791290  0.89209436
   0.71303995  0.84182098  0.56528460
   0.51191899  0.85648345  0.39968695
   0.88704302  0.20561439  0.06308790
   0.97702509  0.40299535  0.32776688
   0.32570241  0.07629759  0.60975089
   0.25564952  0.73523917  0.75571433
   0.14969614  1.10984174  0.16794542
   0.23575126  1.10433965  0.03446036
   0.64021852  0.37163169  0.86567932
   0.93164437  0.45674046  0.68412408
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990712    0.118209   -0.217403
    -0.000000    9.715971    0.007795
    -0.000000    0.000000   14.038674
   Si   O    H 
    32    64    10
Direct configuration=  2394
   0.15022748  0.17473821 -0.02798943
   0.33681016  0.08669650  0.37408520
   0.13549496  0.42019462  0.09633269
   0.37815802  0.31799840  0.23420214
   0.06380431  0.13680532  0.49290955
   0.39267701  0.12987359  0.84876274
   0.11038679  0.39669667  0.62161104
   0.37035672  0.37809422  0.74244051
   0.13543177  0.69824741 -0.01445011
   0.38567030  0.57643706  0.34555011
   0.05251295  0.90650963  0.13499910
   0.32193294  0.83411699  0.23246059
   0.17150390  0.63909231  0.48136234
   0.39054912  0.61113721  0.87373630
   0.07874806  0.87134087  0.61557489
   0.34310084  0.95699196  0.68183475
   0.62701250  0.11828631  0.99864858
   0.83348616  0.11180968  0.34077322
   0.63150233  0.39443632  0.10369733
   0.88433361  0.27589820  0.15606401
   0.59311058  0.17734129  0.49270528
   0.88839267  0.07873474  0.88325788
   0.60435436  0.45609811  0.61462336
   0.75940477  0.35476346  0.80112893
   0.62964263  0.66311652 -0.01072765
   0.90323610  0.59723873  0.37009776
   0.56254667  0.89256415  0.12197202
   0.81143335  0.83473325  0.24140173
   0.62838708  0.66172656  0.45306573
   0.87403855  0.62836538  0.88641328
   0.62760948  0.92052402  0.61934065
   0.85094425  0.84651170  0.75233122
   0.06648832  0.07746722  0.13912957
   0.33053586  0.16770259  0.27571597
   0.12303963  0.34201714 -0.00669558
   0.34244647  0.42765550  0.32625117
   0.51645722  0.32563278  0.18258735
   0.27647744  0.35987291  0.14841812
   0.19632847  0.10915254  0.43558615
  -0.04763363  0.15367449  0.40954456
   0.03318163  0.01326629  0.56263087
   0.45828419  0.25001642  0.78599185
   0.04574087  0.27573226  0.55669700
   0.34220292  0.45244503  0.84247085
   0.48537148  0.48001729  0.69090638
   0.24653701  0.33097255  0.67290761
   0.23308448  0.17181363 -0.12801190
   0.00177389  0.10975150  0.96138998
   0.12874921  0.58674424  0.07871480
   0.35076558  0.66991622  0.24740976
   0.09681453  0.84007255  0.03651681
   0.35770029  0.92433875  0.33374793
   0.40107166  0.88410724  0.13863776
   0.15926507  0.86287734  0.21764943
   0.32400054  0.63534532  0.43833855
   0.05042251  0.64843755  0.39684312
   0.16526789  0.51442961  0.55490253
   0.34785303  0.69807597  0.77948030
   0.16700950  0.78144930  0.53995176
   0.39360794  0.99037657  0.79000572
   0.47194043  0.86042398  0.63902699
   0.18783548  0.90857757  0.69647965
   0.29614207  0.67604901 -0.04503422
   0.02363475  0.68327759  0.90467604
   0.59762207  0.05040239  0.10091460
   0.84192791  0.17390416  0.23459527
   0.66221713  0.27898475  0.02297046
   0.90565520  0.43090877  0.36648713
   0.01784976  0.37495178  0.17447253
   0.77110120  0.41176808  0.14951849
   0.70596285  0.16913479  0.40564900
   0.45463501  0.15398672  0.43885128
   0.60584294  0.07358446  0.58378897
   0.84769449  0.20631272  0.80937083
   0.58066223  0.34491011  0.52852694
   0.87172753  0.46252536  0.85752506
   1.02470884  0.45569999  0.70357067
   0.73583482  0.40401120  0.68488039
   0.75376685  0.04149073  0.94647236
   0.48233885  0.12838264  0.94433930
   0.57603744  0.54571609  0.06583501
   0.84809094  0.67685981  0.26645055
   0.57830244  0.81618119  0.02209401
   0.83240440  0.94358712  0.33090401
   0.89348140  0.88228965  0.14530243
   0.65989083  0.83536776  0.20358341
   0.79491384  0.64934305  0.45457384
   0.54132127  0.58894867  0.36994058
   0.60048780  0.59657188  0.55826021
   0.80408278  0.70803406  0.79815731
   0.58968082  0.83152371  0.43917991
   0.93671892  0.94244278  0.83044040
   0.94325899  0.81257858  0.65820884
   0.70555687  0.92012005  0.72373497
   0.79026830  0.65748646  0.98464925
   0.54691691  0.63638799  0.89169972
   0.71774603  0.83975424  0.56895379
   0.51113491  0.85102392  0.40019824
   0.88360088  0.20244360  0.06546528
   0.98635296  0.40585097  0.32744912
   0.32826024  0.07973428  0.61274758
   0.26380899  0.73640871  0.76040718
   0.15189243  1.10681129  0.17004277
   0.24317400  1.10199355  0.03485849
   0.64247004  0.36839812  0.86822111
   0.92731475  0.45946441  0.68321980
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989795    0.114180   -0.216942
    -0.000000    9.716806    0.010659
    -0.000000    0.000000   14.039291
   Si   O    H 
    32    64    10
Direct configuration=  2395
   0.14936931  0.17565912 -0.02772892
   0.33671083  0.08614538  0.37388174
   0.13490332  0.42074434  0.09640337
   0.37803509  0.31829346  0.23388700
   0.06340116  0.13590031  0.49297382
   0.39144299  0.12910334  0.84809160
   0.10954671  0.39494967  0.62140320
   0.37003472  0.37722932  0.74236159
   0.13571563  0.69737069 -0.01313994
   0.38523213  0.57666555  0.34462189
   0.05321348  0.90539506  0.13412904
   0.32054228  0.83420298  0.23424772
   0.17157726  0.63964690  0.48015754
   0.39071174  0.60984150  0.87283563
   0.07865108  0.87092062  0.61538403
   0.34411552  0.95600807  0.68245123
   0.62789943  0.11971599  0.99734707
   0.83194181  0.11261392  0.34124903
   0.63057841  0.39382348  0.10293522
   0.88461072  0.27634932  0.15683339
   0.59259396  0.17769708  0.49135185
   0.88873180  0.07968310  0.88301943
   0.60337146  0.45489759  0.61465263
   0.75985469  0.35401053  0.80040963
   0.62804048  0.66240170 -0.01108307
   0.90350572  0.59828235  0.37043871
   0.56095606  0.89147322  0.12171350
   0.81114302  0.83596910  0.24143448
   0.62880260  0.66200902  0.45346434
   0.87443833  0.62750034  0.88709822
   0.62784810  0.92211454  0.61927175
   0.85059634  0.84753459  0.75243796
   0.06786931  0.07702120  0.13907164
   0.33159725  0.16680821  0.27638699
   0.12396426  0.34183773 -0.00613172
   0.34138927  0.42797085  0.32578853
   0.51478887  0.32563248  0.18313941
   0.27662328  0.35895872  0.14779959
   0.19854999  0.11055890  0.43627866
  -0.04649109  0.15405923  0.41073368
   0.03216372  0.01303246  0.56276759
   0.45743555  0.25010176  0.78625764
   0.04453090  0.27444494  0.55894373
   0.34051046  0.45367890  0.84342623
   0.48469411  0.47987558  0.69104059
   0.24458291  0.33157505  0.67440169
   0.23418051  0.17057443 -0.12752351
   0.00197846  0.10940659  0.96124680
   0.12773261  0.58665560  0.07906112
   0.35076396  0.67149113  0.24806929
   0.09528894  0.83874016  0.03726938
   0.35735428  0.92546425  0.33437300
   0.40285731  0.88416010  0.13924541
   0.15919594  0.86237284  0.21725848
   0.32333622  0.63415927  0.43804822
   0.04938395  0.65004352  0.39662820
   0.16516574  0.51307491  0.55399476
   0.34750880  0.69797263  0.78000690
   0.16751307  0.78161239  0.53965816
   0.39354871  0.99050437  0.78971715
   0.47291641  0.86175273  0.64063527
   0.18693829  0.90776583  0.69554545
   0.29540368  0.67641597 -0.04433307
   0.02307732  0.68535653  0.90262708
   0.59915642  0.05254595  0.10110277
   0.84290722  0.17424491  0.23423327
   0.66210450  0.28010729  0.02286498
   0.90718961  0.42994715  0.36661873
   0.01963531  0.37452120  0.17482614
   0.77121330  0.41188973  0.14946687
   0.70572475  0.16773099  0.40624045
   0.45374320  0.15362844  0.44002369
   0.60737045  0.07518483  0.58364990
   0.84729945  0.20542156  0.80929218
   0.57928595  0.34346640  0.52842993
   0.87108180  0.46156008  0.85717703
   1.02432923  0.45544717  0.70320257
   0.73470673  0.40529208  0.68498508
   0.75384004  0.04032673  0.94765527
   0.48072133  0.12876493  0.94408386
   0.57680029  0.54708945  0.06593817
   0.84943767  0.67508809  0.26640350
   0.57750088  0.81528697  0.02153460
   0.83432674  0.94215469  0.33274196
   0.89346218  0.88193041  0.14523009
   0.65924550  0.83567232  0.20324506
   0.79606495  0.65096307  0.45438693
   0.54200228  0.59082668  0.36978091
   0.59828851  0.59652011  0.55710142
   0.80455962  0.70762981  0.79852854
   0.59186549  0.83124050  0.43893304
   0.93725707  0.94173588  0.83043987
   0.94232484  0.81222484  0.65870188
   0.70521091  0.92073023  0.72434308
   0.79066898  0.65934278  0.98393515
   0.54607013  0.63447218  0.89157474
   0.72525297  0.83411242  0.56829491
   0.50712112  0.84598856  0.39977403
   0.88253821  0.19889530  0.06715085
   0.99196924  0.40838133  0.32669420
   0.32947723  0.08355757  0.61704053
   0.26919117  0.73874029  0.76501932
   0.14918275  1.09880575  0.16870450
   0.25114103  1.10042345  0.03495328
   0.64446868  0.36375208  0.86892906
   0.93082460  0.46090989  0.68477678
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989198    0.110764   -0.216486
    -0.000000    9.717419    0.013037
    -0.000000    0.000000   14.039578
   Si   O    H 
    32    64    10
Direct configuration=  2396
   0.14858307  0.17683598 -0.02743887
   0.33663908  0.08550250  0.37398312
   0.13508887  0.42126620  0.09667291
   0.37788522  0.31880454  0.23389915
   0.06276061  0.13499799  0.49296871
   0.39039625  0.12858161  0.84739508
   0.10944661  0.39328355  0.62161827
   0.36982508  0.37629966  0.74221689
   0.13617878  0.69652223 -0.01189587
   0.38436228  0.57745824  0.34373013
   0.05366150  0.90540962  0.13354621
   0.31897124  0.83479788  0.23619475
   0.17164504  0.63937703  0.47895435
   0.39051386  0.60910355  0.87146949
   0.07850825  0.87103550  0.61489982
   0.34464370  0.95523102  0.68267057
   0.62919122  0.12147499  0.99631576
   0.83082668  0.11277818  0.34228482
   0.62956446  0.39304781  0.10231289
   0.88461085  0.27816637  0.15675788
   0.59252002  0.17929264  0.49005334
   0.88917190  0.08072041  0.88266791
   0.60317159  0.45324409  0.61493007
   0.76006441  0.35352887  0.79957949
   0.62620248  0.66150745 -0.01103948
   0.90372217  0.59987896  0.37108012
   0.55936547  0.89111691  0.12117203
   0.81083828  0.83705092  0.24167643
   0.62916908  0.66226137  0.45371557
   0.87445638  0.62672719  0.88722878
   0.62848279  0.92352189  0.61923721
   0.85069842  0.84845933  0.75279066
   0.06863690  0.07671884  0.13874046
   0.33303409  0.16706520  0.27675584
   0.12535710  0.34240954 -0.00570892
   0.33940606  0.42840211  0.32563163
   0.51453972  0.32623553  0.18333019
   0.27684469  0.35895739  0.14708939
   0.20078009  0.11197409  0.43722797
  -0.04563736  0.15380297  0.41165731
   0.03159226  0.01262072  0.56325089
   0.45701439  0.25047660  0.78671139
   0.04322470  0.27319923  0.56115092
   0.33896710  0.45466287  0.84440634
   0.48324318  0.47946882  0.69090393
   0.24233476  0.33296977  0.67582128
   0.23646012  0.16976313 -0.12686663
   0.00244898  0.10884447  0.96094249
   0.12595540  0.58694979  0.07947180
   0.35069369  0.67316045  0.24921246
   0.09426631  0.83787269  0.03734100
   0.35754608  0.92591838  0.33523009
   0.40434525  0.88413327  0.13979627
   0.15925571  0.86197830  0.21759003
   0.32194032  0.63279457  0.43809671
   0.04851024  0.65238455  0.39603011
   0.16612127  0.51255788  0.55310372
   0.34848568  0.69785914  0.78076466
   0.16802796  0.78117455  0.53955846
   0.39364152  0.99077543  0.78953910
   0.47410934  0.86368557  0.64200208
   0.18658562  0.90618580  0.69478023
   0.29479313  0.67587645 -0.04287601
   0.02219640  0.68718109  0.90133809
   0.60082368  0.05478930  0.10138622
   0.84345531  0.17411841  0.23435712
   0.66170736  0.28145641  0.02217678
   0.90869618  0.42923328  0.36684396
   0.02194639  0.37414277  0.17523495
   0.77206559  0.41183994  0.14973561
   0.70599071  0.16670572  0.40725557
   0.45313721  0.15289277  0.44103420
   0.60891719  0.07697608  0.58377090
   0.84675601  0.20436944  0.80942148
   0.57839134  0.34167811  0.52843288
   0.87067204  0.46143773  0.85714602
   1.02390644  0.45631873  0.70292788
   0.73324861  0.40598603  0.68446478
   0.75438131  0.03919133  0.94861676
   0.47938662  0.12806399  0.94404196
   0.57818333  0.54819419  0.06606256
   0.85117622  0.67349749  0.26704399
   0.57760463  0.81378454  0.02064044
   0.83661691  0.94005098  0.33468246
   0.89375744  0.88172995  0.14584442
   0.65895771  0.83633537  0.20358741
   0.79704726  0.65272479  0.45397124
   0.54254588  0.59212072  0.36931700
   0.59649320  0.59723102  0.55599215
   0.80462661  0.70754721  0.79929462
   0.59405778  0.83063140  0.43863348
   0.93760118  0.94095887  0.83020134
   0.94157790  0.81124452  0.65940580
   0.70553957  0.92052546  0.72495976
   0.79117586  0.66130255  0.98318549
   0.54503312  0.63292062  0.89139904
   0.72690164  0.83001745  0.56673174
   0.50435149  0.84101277  0.40068647
   0.88404464  0.19749259  0.06860610
   0.99071702  0.41193619  0.32902378
   0.33238933  0.08144361  0.62153691
   0.25928325  0.75137827  0.76815418
   0.15173323  1.09583044  0.17156738
   0.25682007  1.10237944  0.03402437
   0.64905825  0.35456443  0.86910274
   0.93231384  0.46261200  0.68598326
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988773    0.107508   -0.216194
    -0.000000    9.717468    0.015292
    -0.000000    0.000000   14.039782
   Si   O    H 
    32    64    10
Direct configuration=  2397
   0.14824445  0.17765919 -0.02725856
   0.33604157  0.08497755  0.37370692
   0.13553680  0.42197737  0.09678842
   0.37735445  0.31861448  0.23414066
   0.06216325  0.13428264  0.49331092
   0.38934944  0.12827103  0.84693268
   0.10976979  0.39168456  0.62197279
   0.37008857  0.37568497  0.74205247
   0.13663776  0.69578754 -0.01082067
   0.38388772  0.57880055  0.34257842
   0.05426631  0.90612596  0.13266893
   0.31769157  0.83589892  0.23751511
   0.17186526  0.63934368  0.47770674
   0.38963663  0.60832745  0.86994653
   0.07829800  0.87116918  0.61419040
   0.34536993  0.95448475  0.68313766
   0.63043197  0.12207011  0.99556711
   0.83004068  0.11282923  0.34295257
   0.62814987  0.39268932  0.10199664
   0.88489447  0.27977319  0.15656438
   0.59215102  0.18115509  0.48887991
   0.88974591  0.08162382  0.88193712
   0.60312720  0.45117788  0.61512654
   0.76052121  0.35365389  0.79908579
   0.62472398  0.66171263 -0.01091665
   0.90417246  0.60096132  0.37125855
   0.55871059  0.89123224  0.12078246
   0.81077725  0.83762399  0.24164665
   0.62992603  0.66165495  0.45373999
   0.87493832  0.62586008  0.88757404
   0.62859602  0.92485030  0.61955837
   0.85085676  0.84961685  0.75264447
   0.06964483  0.07555322  0.13805892
   0.33423870  0.16845556  0.27694100
   0.12634329  0.34240980 -0.00509364
   0.33720179  0.42779662  0.32501120
   0.51525599  0.32691900  0.18289941
   0.27661424  0.35869463  0.14661003
   0.20335903  0.11288238  0.43807533
  -0.04461868  0.15355152  0.41213812
   0.03130699  0.01276286  0.56396202
   0.45630806  0.25094337  0.78710248
   0.04144158  0.27199274  0.56305393
   0.33699858  0.45588029  0.84534937
   0.48096181  0.47816541  0.69078237
   0.24120149  0.33440300  0.67772635
   0.23928125  0.16877711 -0.12588180
   0.00340853  0.10823732  0.96083955
   0.12426767  0.58680461  0.08002398
   0.35028216  0.67400543  0.25054249
   0.09236266  0.83749522  0.03746706
   0.35804245  0.92609191  0.33572627
   0.40529200  0.88325843  0.14073280
   0.15981550  0.86115391  0.21798205
   0.32040813  0.63203882  0.43788003
   0.04914845  0.65415447  0.39535431
   0.16696877  0.51224438  0.55214323
   0.34836063  0.69868055  0.78115712
   0.16791388  0.77994576  0.53948793
   0.39476255  0.99178591  0.78958193
   0.47508555  0.86616158  0.64249541
   0.18652306  0.90420048  0.69469085
   0.29349238  0.67666936 -0.04110539
   0.02069450  0.68843500  0.90060715
   0.60271504  0.05591139  0.10174587
   0.84246706  0.17375929  0.23463076
   0.66179733  0.28252033  0.02162087
   0.91127365  0.42786641  0.36668992
   0.02346152  0.37318845  0.17550085
   0.77374011  0.41231857  0.15036075
   0.70549638  0.16597391  0.40834663
   0.45147436  0.15308460  0.44144309
   0.61017896  0.07940178  0.58350258
   0.84582462  0.20374698  0.80966839
   0.57850812  0.34003889  0.52859650
   0.87045560  0.46247802  0.85728142
   1.02365950  0.45744736  0.70298062
   0.73241718  0.40579656  0.68420775
   0.75491487  0.03816074  0.94956479
   0.47907409  0.12769968  0.94398539
   0.57977424  0.54871044  0.06617167
   0.85235108  0.67232811  0.26762001
   0.57790512  0.81267625  0.02027536
   0.83842384  0.93837674  0.33594461
   0.89495324  0.88122511  0.14686922
   0.65964004  0.83707209  0.20370035
   0.79839049  0.65376891  0.45303142
   0.54319948  0.59253813  0.36881019
   0.59474522  0.59784749  0.55498458
   0.80525967  0.70666936  0.80051253
   0.59720414  0.83071301  0.43798071
   0.93749978  0.94034401  0.82981911
   0.94226613  0.81033231  0.66006605
   0.70630780  0.92058217  0.72574967
   0.79124870  0.66208579  0.98300483
   0.54391462  0.63153401  0.89113700
   0.72660218  0.83026067  0.56462211
   0.50721622  0.83787627  0.40503556
   0.88525617  0.19804361  0.07111357
   0.98411235  0.41442983  0.33021921
   0.33373207  0.07700147  0.62651435
   0.25893176  0.75587578  0.77217240
   0.15692444  1.09391420  0.17610748
   0.25725750  1.10644896  0.03403169
   0.65472203  0.34547036  0.86683242
   0.92810699  0.46175169  0.68494360
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988252    0.103916   -0.216243
    -0.000000    9.717203    0.017364
    -0.000000    0.000000   14.040154
   Si   O    H 
    32    64    10
Direct configuration=  2398
   0.14810374  0.17859627 -0.02771010
   0.33630524  0.08465269  0.37332008
   0.13660156  0.42192640  0.09688821
   0.37668695  0.31805011  0.23444066
   0.06181111  0.13334032  0.49387011
   0.38907761  0.12839112  0.84692711
   0.11069236  0.39127948  0.62225061
   0.37063747  0.37512300  0.74170923
   0.13755967  0.69503691 -0.00977750
   0.38298078  0.57975055  0.34170828
   0.05511505  0.90722719  0.13190400
   0.31644331  0.83674976  0.23867588
   0.17203366  0.63935259  0.47649190
   0.38800654  0.60745544  0.86881300
   0.07812418  0.87056772  0.61379010
   0.34583571  0.95426972  0.68335008
   0.63051060  0.12167291  0.99525704
   0.82908195  0.11338462  0.34352261
   0.62677480  0.39282424  0.10183444
   0.88534839  0.28106439  0.15626496
   0.59207978  0.18276085  0.48816095
   0.89025471  0.08257371  0.88145943
   0.60260902  0.44921642  0.61536532
   0.76094598  0.35351516  0.79869870
   0.62303533  0.66140102 -0.01092008
   0.90472031  0.60195404  0.37130505
   0.55908178  0.89155367  0.12006841
   0.81121803  0.83784839  0.24190944
   0.63062313  0.66089975  0.45358884
   0.87562288  0.62480123  0.88810729
   0.62890593  0.92521463  0.61927316
   0.85144329  0.85022943  0.75237044
   0.07116635  0.07486420  0.13697550
   0.33528997  0.16994830  0.27687842
   0.12775190  0.34228144 -0.00436284
   0.33575865  0.42633482  0.32420623
   0.51655406  0.32791767  0.18255794
   0.27710989  0.35884016  0.14672937
   0.20569195  0.11349046  0.43870192
  -0.04352462  0.15353466  0.41170717
   0.03112354  0.01268797  0.56414904
   0.45544374  0.25200630  0.78686305
   0.03972839  0.27031855  0.56481582
   0.33493757  0.45602414  0.84611817
   0.47847334  0.47665384  0.69046110
   0.24061734  0.33613566  0.67953512
   0.24179306  0.16777492 -0.12440207
   0.00547847  0.10738971  0.95988966
   0.12231418  0.58626619  0.07990445
   0.34896512  0.67464167  0.25180453
   0.09075119  0.83621959  0.03716219
   0.35823077  0.92634092  0.33637962
   0.40550271  0.88159265  0.14175494
   0.16046564  0.85968714  0.21792003
   0.31882658  0.63184762  0.43805611
   0.05062135  0.65595696  0.39434808
   0.16758621  0.51223548  0.55097586
   0.34788595  0.69919321  0.78085183
   0.16744164  0.77845749  0.53957017
   0.39658683  0.99223338  0.78997396
   0.47605296  0.86787513  0.64314174
   0.18731333  0.90248482  0.69512279
   0.29301827  0.67760410 -0.03958470
   0.02037194  0.69006114  0.90006346
   0.60450682  0.05635666  0.10279507
   0.84081964  0.17321996  0.23546752
   0.66141977  0.28356837  0.02068432
   0.91158735  0.42867869  0.36630785
   0.02447327  0.37148853  0.17560792
   0.77470059  0.41250242  0.15119744
   0.70442815  0.16537410  0.40963420
   0.44874402  0.15281722  0.44193424
   0.61149866  0.08137215  0.58339178
   0.84524829  0.20284143  0.80963342
   0.57808665  0.33818110  0.52911382
   0.86975201  0.46462729  0.85745824
   1.02217544  0.45841374  0.70270967
   0.73175678  0.40560159  0.68398043
   0.75581809  0.03708638  0.95104672
   0.47947058  0.12713308  0.94369621
   0.58194840  0.54829197  0.06625873
   0.85388815  0.67161544  0.26828075
   0.57896051  0.81150762  0.02038049
   0.83857398  0.93721573  0.33700749
   0.89645898  0.88116914  0.14825576
   0.65968877  0.83768583  0.20399854
   0.79929985  0.65421523  0.45200388
   0.54399295  0.59268392  0.36848993
   0.59285012  0.59812506  0.55413290
   0.80523063  0.70608899  0.80204773
   0.59950913  0.82984817  0.43688731
   0.93709995  0.94017810  0.82946827
   0.94302285  0.80840761  0.66088611
   0.70682231  0.92162172  0.72665911
   0.79098488  0.66246923  0.98300836
   0.54233175  0.62998589  0.89086736
   0.72097194  0.83520821  0.56460792
   0.51595063  0.83585574  0.41145698
   0.88592265  0.19842912  0.07325211
   0.99221306  0.41140145  0.32347876
   0.33599029  0.07519610  0.63040419
   0.26653086  0.75166420  0.77737518
   0.15549024  1.09047502  0.17943867
   0.25204357  1.11138425  0.03454221
   0.65958890  0.34170234  0.86211513
   0.92661874  0.46045696  0.68445401
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988007    0.099747   -0.215896
    -0.000000    9.717001    0.019636
    -0.000000    0.000000   14.040527
   Si   O    H 
    32    64    10
Direct configuration=  2399
   0.14773597  0.17887717 -0.02859147
   0.33672832  0.08451753  0.37319765
   0.13768423  0.42196536  0.09746740
   0.37602708  0.31762491  0.23435838
   0.06093326  0.13292958  0.49475313
   0.38922614  0.12854444  0.84753288
   0.11168172  0.39081525  0.62229226
   0.37134176  0.37490464  0.74172353
   0.13875719  0.69426796 -0.00907489
   0.38295782  0.58063820  0.34104252
   0.05608650  0.90900126  0.13148958
   0.31522776  0.83805885  0.23989139
   0.17185439  0.63918028  0.47556701
   0.38610750  0.60673021  0.86822505
   0.07830600  0.86946846  0.61327098
   0.34608212  0.95327297  0.68267006
   0.62995805  0.12141972  0.99528973
   0.82890905  0.11379447  0.34410386
   0.62524671  0.39333346  0.10145637
   0.88627601  0.28248503  0.15599902
   0.59136824  0.18417140  0.48802843
   0.89004309  0.08350099  0.88099447
   0.60258028  0.44729416  0.61567383
   0.76213621  0.35348338  0.79831270
   0.62160981  0.66096055 -0.01083051
   0.90520756  0.60273683  0.37122764
   0.55915455  0.89315540  0.11943196
   0.81192819  0.83717925  0.24253043
   0.63155924  0.66080306  0.45362861
   0.87584058  0.62413624  0.88872516
   0.62904154  0.92525236  0.61920181
   0.85165893  0.85064852  0.75188813
   0.07266030  0.07405771  0.13583229
   0.33604095  0.17170808  0.27634935
   0.12850799  0.34230284 -0.00377061
   0.33442960  0.42513389  0.32318977
   0.51817926  0.32910381  0.18201278
   0.27677892  0.35936366  0.14696826
   0.20802100  0.11337373  0.43872043
  -0.04270298  0.15327450  0.41121486
   0.03023233  0.01328535  0.56467026
   0.45381818  0.25248418  0.78640897
   0.03752865  0.26879070  0.56674415
   0.33310257  0.45602463  0.84688809
   0.47645939  0.47496177  0.68992803
   0.24126279  0.33765137  0.68193620
   0.24333764  0.16699165 -0.12346632
   0.00789499  0.10632964  0.95933343
   0.12056668  0.58489395  0.07987188
   0.34780610  0.67526156  0.25373971
   0.08980553  0.83589382  0.03657449
   0.35853079  0.92601678  0.33700070
   0.40521353  0.87984680  0.14305904
   0.16045882  0.85772646  0.21802093
   0.31817938  0.63221171  0.43827417
   0.05232376  0.65812491  0.39370895
   0.16808623  0.51137911  0.55043974
   0.34769699  0.70035574  0.77987329
   0.16668644  0.77758251  0.53941304
   0.39799751  0.99168298  0.79007420
   0.47652028  0.86891944  0.64406623
   0.18913784  0.90064506  0.69558925
   0.29217711  0.67857352 -0.03875427
   0.02102301  0.69084491  0.89974721
   0.60581514  0.05632947  0.10347796
   0.83892832  0.17262605  0.23668800
   0.66101089  0.28485438  0.01986614
   0.91275125  0.42983757  0.36574402
   0.02518277  0.36981112  0.17548895
   0.77561848  0.41238581  0.15199246
   0.70314372  0.16553570  0.41055701
   0.44677578  0.15204408  0.44166615
   0.61265269  0.08355340  0.58325708
   0.84489755  0.20220618  0.80943740
   0.57774165  0.33600204  0.52961983
   0.86938806  0.46638056  0.85764579
   1.02094773  0.45965051  0.70252204
   0.73189953  0.40575107  0.68366607
   0.75731517  0.03591955  0.95215227
   0.47953521  0.12739782  0.94341786
   0.58321573  0.54767189  0.06698082
   0.85551621  0.67052162  0.26932322
   0.57997790  0.81035069  0.02063588
   0.83864006  0.93577220  0.33828760
   0.89784996  0.88037633  0.14977911
   0.65961358  0.83837185  0.20451015
   0.80013948  0.65405175  0.45062117
   0.54469296  0.59286773  0.36753039
   0.59167406  0.59879314  0.55322633
   0.80507337  0.70593325  0.80362045
   0.60295050  0.82876667  0.43568060
   0.93743858  0.93981475  0.82929798
   0.94377581  0.80673469  0.66162555
   0.70697240  0.92230479  0.72672769
   0.79017112  0.66285488  0.98272403
   0.54132906  0.62791089  0.89026737
   0.71430656  0.84072293  0.56699976
   0.50633574  0.83514736  0.41221859
   0.88567999  0.20017000  0.07275677
   0.99588013  0.40577022  0.31999518
   0.33656284  0.08156629  0.63041557
   0.26664303  0.75162522  0.78366607
   0.14754706  1.08711329  0.17871347
   0.24550366  1.11466060  0.03335912
   0.65738774  0.33786463  0.86107241
   0.92452575  0.46232026  0.68586991
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988015    0.094619   -0.215676
    -0.000000    9.716543    0.021998
    -0.000000    0.000000   14.040478
   Si   O    H 
    32    64    10
Direct configuration=  2400
   0.14765364  0.17926824 -0.02924883
   0.33718787  0.08512790  0.37330318
   0.13922002  0.42210752  0.09807283
   0.37500661  0.31717606  0.23460168
   0.06050435  0.13261133  0.49538463
   0.38956549  0.12849605  0.84838967
   0.11196444  0.39052066  0.62247864
   0.37198462  0.37520225  0.74170884
   0.13981735  0.69352143 -0.00842533
   0.38253778  0.58101173  0.34027703
   0.05621371  0.91052129  0.13118174
   0.31517592  0.83894532  0.24114641
   0.17095757  0.63951038  0.47517696
   0.38395959  0.60638060  0.86804820
   0.07824476  0.86824543  0.61290628
   0.34658004  0.95253618  0.68212403
   0.62913504  0.12093070  0.99529478
   0.82925131  0.11421479  0.34460712
   0.62368769  0.39372378  0.10183552
   0.88694175  0.28426240  0.15594990
   0.59061531  0.18552623  0.48796766
   0.89038035  0.08470583  0.88038292
   0.60244720  0.44625069  0.61569153
   0.76291932  0.35365876  0.79825864
   0.62072073  0.65987588 -0.01069659
   0.90546608  0.60264744  0.37086362
   0.55929996  0.89398515  0.11877875
   0.81330418  0.83646662  0.24316553
   0.63272867  0.66074646  0.45386832
   0.87627561  0.62409230  0.88961372
   0.62857924  0.92535554  0.61987522
   0.85099500  0.85060069  0.75128386
   0.07355410  0.07341474  0.13501852
   0.33659580  0.17283894  0.27588565
   0.12887290  0.34201769 -0.00304974
   0.33391805  0.42399076  0.32225736
   0.52049359  0.33007376  0.18132348
   0.27635812  0.36076609  0.14708765
   0.20945603  0.11405804  0.43917362
  -0.04275011  0.15343092  0.41028144
   0.02910522  0.01371913  0.56534262
   0.45167905  0.25192069  0.78618771
   0.03532485  0.26786079  0.56812060
   0.33039817  0.45534468  0.84743338
   0.47540251  0.47291334  0.68938340
   0.24149735  0.33961628  0.68381798
   0.24370697  0.16601844 -0.12257632
   0.00986686  0.10521943  0.95856511
   0.11945574  0.58272424  0.07988579
   0.34585214  0.67544122  0.25521187
   0.08802632  0.83580588  0.03610713
   0.35868016  0.92528494  0.33734394
   0.40501416  0.87796811  0.14387707
   0.16025800  0.85610066  0.21770683
   0.31750274  0.63253443  0.43843661
   0.05495645  0.66012279  0.39384384
   0.16846623  0.51051346  0.54970096
   0.34712620  0.70139638  0.77875260
   0.16639226  0.77644751  0.53912577
   0.39976852  0.99038331  0.78979755
   0.47590258  0.87005569  0.64413499
   0.19126030  0.89862435  0.69666664
   0.29198041  0.67846171 -0.03855377
   0.02363977  0.69066396  0.89909364
   0.60622980  0.05638736  0.10429211
   0.83691251  0.17234610  0.23819847
   0.65992658  0.28555624  0.01909962
   0.91399924  0.43131809  0.36482356
   0.02642125  0.36895498  0.17534440
   0.77643250  0.41209595  0.15253556
   0.70251798  0.16642022  0.41172502
   0.44500947  0.15151438  0.44083702
   0.61407072  0.08526960  0.58290858
   0.84432050  0.20218306  0.80912812
   0.57724815  0.33413708  0.53009155
   0.86906904  0.46803405  0.85796656
   1.01876019  0.46126328  0.70218331
   0.73252765  0.40691130  0.68383119
   0.75905248  0.03402366  0.95322379
   0.47980069  0.12743369  0.94338514
   0.58392434  0.54704159  0.06744451
   0.85677109  0.66989742  0.27033018
   0.58148591  0.81008665  0.02036912
   0.83885066  0.93503069  0.33932019
   0.89954712  0.88034210  0.15119506
   0.65921700  0.83903725  0.20472615
   0.80048347  0.65386390  0.44930460
   0.54533107  0.59299082  0.36708978
   0.59063389  0.59886614  0.55307481
   0.80518622  0.70681349  0.80448512
   0.60513470  0.82811117  0.43457793
   0.93673140  0.93957069  0.82886613
   0.94486793  0.80512224  0.66235696
   0.70726470  0.92351348  0.72665316
   0.78914196  0.66241317  0.98240967
   0.54081645  0.62526108  0.88972458
   0.71118811  0.84199532  0.56553112
   0.50207778  0.83814823  0.41526745
   0.88624147  0.20618423  0.06774069
   0.99300053  0.40184226  0.32342757
   0.33646628  0.08783169  0.62747711
   0.26074704  0.75511648  0.78893808
   0.14182464  1.08859305  0.17766807
   0.24293564  1.11525008  0.03544651
   0.65162018  0.33258612  0.86076866
   0.92666248  0.46667569  0.68789738
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987846    0.089462   -0.215782
    -0.000000    9.716466    0.024137
    -0.000000    0.000000   14.040650
   Si   O    H 
    32    64    10
Direct configuration=  2401
   0.14775641  0.17892445 -0.02969911
   0.33727962  0.08541417  0.37312506
   0.14051882  0.42153378  0.09821677
   0.37454536  0.31683725  0.23453644
   0.06027657  0.13312155  0.49577158
   0.39042622  0.12846893  0.84894724
   0.11267547  0.39133889  0.62269563
   0.37237419  0.37610304  0.74152670
   0.14031489  0.69307098 -0.00793966
   0.38254725  0.58161562  0.34040226
   0.05649838  0.91183296  0.13151156
   0.31552279  0.83929857  0.24208393
   0.17005053  0.63894704  0.47530940
   0.38134594  0.60630088  0.86793965
   0.07787968  0.86755845  0.61263624
   0.34674982  0.95236256  0.68179566
   0.62848208  0.12100801  0.99508106
   0.82946355  0.11451489  0.34482519
   0.62280565  0.39382006  0.10241343
   0.88767951  0.28592442  0.15565801
   0.58935705  0.18600246  0.48807173
   0.89071093  0.08522282  0.88000723
   0.60190084  0.44528755  0.61590371
   0.76427941  0.35426644  0.79833218
   0.62025097  0.65869565 -0.01038954
   0.90556719  0.60285592  0.36976268
   0.55952576  0.89517748  0.11860136
   0.81478066  0.83569932  0.24396722
   0.63372238  0.66037316  0.45434365
   0.87649152  0.62400221  0.89071191
   0.62835730  0.92518370  0.62067437
   0.85032926  0.85091655  0.75101915
   0.07360227  0.07247824  0.13387718
   0.33641111  0.17308024  0.27477433
   0.12866660  0.34246627 -0.00194598
   0.33367498  0.42240327  0.32099684
   0.52248129  0.33056308  0.18071684
   0.27514724  0.36177086  0.14688012
   0.20976911  0.11385872  0.43962495
  -0.04201242  0.15338329  0.40940758
   0.02780914  0.01349578  0.56612155
   0.45031746  0.25117366  0.78645580
   0.03411749  0.26701279  0.56920360
   0.32816754  0.45471106  0.84836810
   0.47414912  0.47111945  0.68869220
   0.24179137  0.34035517  0.68523974
   0.24259334  0.16550599 -0.12195685
   0.00989594  0.10451900  0.95783544
   0.11913173  0.58046955  0.07962481
   0.34433798  0.67484327  0.25673078
   0.08626184  0.83573872  0.03583911
   0.35926908  0.92511431  0.33762495
   0.40482513  0.87570031  0.14469931
   0.15977740  0.85487945  0.21709382
   0.31755009  0.63224877  0.43861487
   0.05710577  0.66217016  0.39311790
   0.16865205  0.50892010  0.54908889
   0.34644769  0.70421473  0.77757637
   0.16625685  0.77624265  0.53893205
   0.40043164  0.98972787  0.78949494
   0.47548485  0.87109318  0.64410651
   0.19306855  0.89718622  0.69780565
   0.29226302  0.67800310 -0.03860481
   0.02659909  0.68931628  0.89921893
   0.60639279  0.05555804  0.10520925
   0.83581384  0.17216279  0.23930750
   0.65907282  0.28574353  0.01838433
   0.91502976  0.43234692  0.36452955
   0.02752935  0.36832575  0.17505882
   0.77794215  0.41223689  0.15311574
   0.70203786  0.16731546  0.41262694
   0.44432255  0.15110936  0.44066531
   0.61597652  0.08594732  0.58242989
   0.84379673  0.20279923  0.80807405
   0.57647721  0.33270388  0.53075676
   0.86879788  0.46923846  0.85789097
   1.01779284  0.46207085  0.70154633
   0.73275981  0.40803188  0.68443497
   0.76072348  0.03355999  0.95410881
   0.47949519  0.12723221  0.94342877
   0.58528432  0.54560372  0.06814138
   0.85741551  0.67014976  0.27112633
   0.58229038  0.80995946  0.01948996
   0.83880346  0.93486617  0.34053681
   0.90070734  0.87991041  0.15228309
   0.65859002  0.83909884  0.20447711
   0.79994522  0.65363271  0.44760014
   0.54633674  0.59260535  0.36663710
   0.58956023  0.59806878  0.55326705
   0.80579331  0.70789796  0.80464829
   0.60560491  0.82734984  0.43336563
   0.93626971  0.93998606  0.82866899
   0.94634978  0.80345960  0.66324167
   0.70788155  0.92537360  0.72632894
   0.78747354  0.66256620  0.98190876
   0.53951466  0.62364733  0.88916879
   0.71164802  0.83741971  0.56130413
   0.50517147  0.84325750  0.41937527
   0.88612340  0.21288215  0.06242982
   0.98385959  0.39941460  0.32888216
   0.33574242  0.09132123  0.62353243
   0.25896929  0.75190300  0.79195567
   0.14515009  1.09368977  0.18402038
   0.24286600  1.11828144  0.04097479
   0.64501575  0.32813800  0.85984407
   0.92291562  0.47126045  0.68897293
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987777    0.084613   -0.216331
    -0.000000    9.716773    0.025990
    -0.000000    0.000000   14.040537
   Si   O    H 
    32    64    10
Direct configuration=  2402
   0.14804746  0.17846882 -0.03027037
   0.33722417  0.08540639  0.37324322
   0.14189877  0.42063611  0.09847273
   0.37423292  0.31689732  0.23426012
   0.06079092  0.13382587  0.49584639
   0.39124686  0.12877422  0.84923830
   0.11308822  0.39263113  0.62290658
   0.37294950  0.37682724  0.74185972
   0.14060058  0.69209956 -0.00710857
   0.38307303  0.58149187  0.34056570
   0.05677049  0.91267604  0.13178931
   0.31619512  0.83907961  0.24291780
   0.16971420  0.63831992  0.47575299
   0.37868551  0.60640583  0.86775621
   0.07765316  0.86681652  0.61227396
   0.34633227  0.95188698  0.68141192
   0.62800009  0.12074275  0.99461378
   0.82920256  0.11501105  0.34516009
   0.62242761  0.39367100  0.10280987
   0.88799357  0.28729608  0.15507786
   0.58799103  0.18554317  0.48821841
   0.89129182  0.08558487  0.87971379
   0.60108556  0.44433745  0.61625404
   0.76629662  0.35504335  0.79845680
   0.61985222  0.65802374 -0.01020250
   0.90601075  0.60360384  0.36875778
   0.56033875  0.89609004  0.11825960
   0.81635774  0.83393157  0.24493435
   0.63414642  0.66073280  0.45463977
   0.87645144  0.62416367  0.89137285
   0.62739750  0.92505904  0.62186965
   0.84966789  0.85108580  0.75090309
   0.07446258  0.07292765  0.13307989
   0.33598468  0.17258218  0.27392965
   0.12786764  0.34308837 -0.00137445
   0.33305345  0.42116617  0.32034009
   0.52442322  0.33098930  0.18084973
   0.27391231  0.36238301  0.14728758
   0.20924567  0.11448479  0.44051895
  -0.04074774  0.15391569  0.40856380
   0.02646912  0.01254265  0.56734706
   0.44964433  0.25026548  0.78724967
   0.03386984  0.26677301  0.57050254
   0.32575611  0.45424171  0.84897011
   0.47344749  0.46971098  0.68767795
   0.24125039  0.34113448  0.68631120
   0.24141013  0.16466206 -0.12116464
   0.01024376  0.10409950  0.95739134
   0.11918445  0.57842913  0.07917061
   0.34221630  0.67496564  0.25817516
   0.08465139  0.83572004  0.03535575
   0.35975558  0.92583521  0.33766773
   0.40468811  0.87361777  0.14572566
   0.15798397  0.85282024  0.21672627
   0.31780068  0.63180614  0.43809956
   0.05917494  0.66338242  0.39229010
   0.16884497  0.50660221  0.54841041
   0.34613530  0.70655162  0.77647921
   0.16526970  0.77590069  0.53912871
   0.40078815  0.98944287  0.78930718
   0.47538503  0.87235808  0.64400398
   0.19444605  0.89630169  0.69845988
   0.29276910  0.67731804 -0.03836042
   0.03033411  0.68776710  0.89958243
   0.60599609  0.05514416  0.10560367
   0.83465275  0.17219168  0.24029312
   0.65771364  0.28515086  0.01759623
   0.91605968  0.43322620  0.36414252
   0.02898053  0.36745001  0.17514495
   0.77992155  0.41242823  0.15379277
   0.70145501  0.16848142  0.41293506
   0.44411653  0.15116712  0.44067276
   0.61707349  0.08646431  0.58250857
   0.84350454  0.20344258  0.80702274
   0.57530550  0.33138801  0.53171440
   0.86879123  0.47021795  0.85794597
   1.01698584  0.46265992  0.70071736
   0.73274181  0.40909797  0.68504446
   0.76227464  0.03394182  0.95526845
   0.47954589  0.12718392  0.94391447
   0.58619511  0.54382286  0.06916337
   0.85830250  0.67072709  0.27173010
   0.58250057  0.80995960  0.01934135
   0.83842656  0.93488163  0.34161975
   0.90174531  0.88043798  0.15355479
   0.65782441  0.83921523  0.20393044
   0.79891382  0.65337093  0.44643992
   0.54700051  0.59203863  0.36626638
   0.58852878  0.59715122  0.55404231
   0.80638593  0.70883320  0.80487632
   0.60489607  0.82662712  0.43220238
   0.93598174  0.94083187  0.82858529
   0.94681923  0.80191250  0.66399944
   0.70878176  0.92635559  0.72551742
   0.78564950  0.66343870  0.98150746
   0.53775257  0.62227550  0.88953184
   0.71140388  0.83447611  0.55847669
   0.51693192  0.84800742  0.42583200
   0.88773173  0.22118014  0.05988462
   0.98920582  0.39390012  0.32942860
   0.33221950  0.09089680  0.62030753
   0.26391313  0.74633983  0.79250177
   0.14709352  1.09976612  0.18530385
   0.24250248  1.12087038  0.04300878
   0.63951906  0.32561089  0.85750993
   0.91948976  0.47604259  0.68807077
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987869    0.080131   -0.217035
    -0.000000    9.717300    0.027914
    -0.000000    0.000000   14.039854
   Si   O    H 
    32    64    10
Direct configuration=  2403
   0.14847731  0.17838804 -0.03074784
   0.33694034  0.08517640  0.37337902
   0.14353491  0.41992758  0.09881263
   0.37420042  0.31740357  0.23372143
   0.06117266  0.13444845  0.49621164
   0.39239961  0.12899833  0.84945220
   0.11345669  0.39354798  0.62299027
   0.37317565  0.37757863  0.74286124
   0.14035636  0.69109293 -0.00622448
   0.38366548  0.58157517  0.34122525
   0.05702860  0.91339699  0.13197385
   0.31644104  0.83793838  0.24284103
   0.16900349  0.63728426  0.47631240
   0.37650237  0.60644852  0.86777591
   0.07704515  0.86598772  0.61235827
   0.34646703  0.95246678  0.68169027
   0.62766392  0.12069725  0.99432478
   0.82836032  0.11524537  0.34558844
   0.62226294  0.39392579  0.10311065
   0.88803860  0.28849450  0.15485169
   0.58651488  0.18513916  0.48877145
   0.89204159  0.08564012  0.88003182
   0.60010696  0.44294464  0.61679150
   0.76808093  0.35534696  0.79867047
   0.61989674  0.65650647 -0.01034040
   0.90647935  0.60416301  0.36794514
   0.56092409  0.89680172  0.11759288
   0.81808569  0.83253111  0.24598422
   0.63529625  0.66150069  0.45502398
   0.87703232  0.62451387  0.89158562
   0.62720073  0.92548454  0.62298636
   0.84897749  0.85006937  0.75042975
   0.07619162  0.07463177  0.13319689
   0.33503584  0.17182140  0.27313415
   0.12663412  0.34375558 -0.00079505
   0.33253504  0.42003111  0.31953036
   0.52551045  0.33166698  0.18153629
   0.27360019  0.36300100  0.14762393
   0.20810046  0.11537773  0.44168581
  -0.04063858  0.15463102  0.40721437
   0.02397236  0.01192394  0.56867428
   0.44892860  0.24981576  0.78799307
   0.03369568  0.26637905  0.57099855
   0.32308167  0.45288206  0.84891000
   0.47389679  0.46855477  0.68661791
   0.24035264  0.34133566  0.68761599
   0.24010517  0.16322970 -0.12087509
   0.00987724  0.10397161  0.95641228
   0.11948718  0.57745372  0.07847048
   0.33927574  0.67569012  0.25936322
   0.08376575  0.83551417  0.03468483
   0.36122185  0.92650847  0.33733417
   0.40445344  0.87189085  0.14705312
   0.15603582  0.85071534  0.21645614
   0.31785881  0.63121648  0.43713523
   0.05984902  0.66408683  0.39203936
   0.16910743  0.50339382  0.54751364
   0.34598275  0.70823657  0.77562034
   0.16440275  0.77526547  0.53884170
   0.40070044  0.98982327  0.78871392
   0.47528985  0.87305879  0.64397705
   0.19521289  0.89516898  0.69888620
   0.29304953  0.67705472 -0.03814364
   0.03373136  0.68555480  0.89958448
   0.60488378  0.05538095  0.10555576
   0.83334573  0.17232849  0.24062846
   0.65602920  0.28378306  0.01674973
   0.91741234  0.43364109  0.36412748
   0.03050933  0.36719578  0.17515247
   0.78110324  0.41244952  0.15411543
   0.70086769  0.16937763  0.41333864
   0.44372257  0.15204364  0.44047408
   0.61749671  0.08707454  0.58280577
   0.84332230  0.20419860  0.80561780
   0.57466007  0.33081960  0.53250424
   0.86925099  0.46987661  0.85766666
   1.01687215  0.46230990  0.70011068
   0.73235145  0.41065807  0.68604444
   0.76308843  0.03497808  0.95589335
   0.48057511  0.12716914  0.94456406
   0.58628288  0.54261600  0.06951303
   0.85908151  0.67182292  0.27205053
   0.58232575  0.81071009  0.01938750
   0.83787524  0.93443501  0.34241458
   0.90259684  0.88132498  0.15491948
   0.65710660  0.83957918  0.20397812
   0.79782468  0.65336471  0.44546728
   0.54831315  0.59083577  0.36552776
   0.58757540  0.59618883  0.55448196
   0.80637114  0.71037745  0.80491195
   0.60499859  0.82582169  0.43150429
   0.93561253  0.94229618  0.82857835
   0.94791015  0.80160427  0.66469456
   0.70923481  0.92770560  0.72481147
   0.78360329  0.66447412  0.98074465
   0.53586769  0.62160276  0.89009201
   0.70532905  0.83855743  0.55820859
   0.50713978  0.86157796  0.43121023
   0.88899511  0.22680083  0.05766471
   0.99992751  0.39131722  0.33011184
   0.32927637  0.08547041  0.62101768
   0.25866715  0.74486933  0.79211530
   0.14482877  1.10223572  0.18353105
   0.24074126  1.12625070  0.04325433
   0.64045393  0.32524995  0.85393837
   0.91985770  0.47941946  0.68984443
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987812    0.075561   -0.217335
    -0.000000    9.718117    0.029541
    -0.000000    0.000000   14.039604
   Si   O    H 
    32    64    10
Direct configuration=  2404
   0.14897816  0.17853807 -0.03107446
   0.33679120  0.08551422  0.37370538
   0.14428395  0.41870661  0.09924997
   0.37443338  0.31798861  0.23313135
   0.06251148  0.13549555  0.49660877
   0.39363057  0.12895928  0.84977889
   0.11351921  0.39400491  0.62304593
   0.37362571  0.37824716  0.74397250
   0.13990036  0.69072168 -0.00553002
   0.38483697  0.58071332  0.34188440
   0.05735922  0.91352072  0.13196255
   0.31625271  0.83645981  0.24235520
   0.16822668  0.63624123  0.47719014
   0.37419705  0.60699716  0.86794074
   0.07693827  0.86498698  0.61281734
   0.34663321  0.95280796  0.68178775
   0.62725917  0.12092592  0.99424148
   0.82704454  0.11521761  0.34606507
   0.62325098  0.39417372  0.10323907
   0.88855406  0.28920655  0.15444932
   0.58577713  0.18446049  0.48916325
   0.89195969  0.08560767  0.88052920
   0.59928500  0.44199419  0.61726913
   0.76953225  0.35605890  0.79911542
   0.61943756  0.65522319 -0.01076126
   0.90704194  0.60486400  0.36721907
   0.56059267  0.89776905  0.11705504
   0.81949719  0.83091126  0.24702646
   0.63573999  0.66184723  0.45541930
   0.87780329  0.62504541  0.89141085
   0.62709183  0.92625346  0.62400872
   0.84836548  0.84896069  0.75015960
   0.07843219  0.07738039  0.13371792
   0.33386732  0.17021666  0.27199995
   0.12427415  0.34321178 -0.00070560
   0.33294514  0.41927265  0.31872307
   0.52570797  0.33211921  0.18203726
   0.27319969  0.36410270  0.14839957
   0.20696651  0.11699839  0.44317140
  -0.04009527  0.15471626  0.40616231
   0.02160395  0.01113077  0.56948655
   0.44922266  0.24863496  0.78815304
   0.03308409  0.26565042  0.57108363
   0.32155920  0.45120484  0.84839952
   0.47359147  0.46786724  0.68465490
   0.23979935  0.34160947  0.68888621
   0.23937157  0.16202915 -0.12117178
   0.00960876  0.10378081  0.95602890
   0.11977219  0.57705287  0.07760198
   0.33687315  0.67635064  0.26011784
   0.08338173  0.83490024  0.03400692
   0.36266838  0.92696731  0.33749026
   0.40398230  0.87009402  0.14915196
   0.15457156  0.84874955  0.21626903
   0.31802239  0.63060074  0.43651416
   0.06016429  0.66458628  0.39162615
   0.16959961  0.50085463  0.54675651
   0.34478491  0.70987708  0.77429073
   0.16370717  0.77475335  0.53886010
   0.40001609  0.99033334  0.78854215
   0.47457092  0.87314499  0.64340763
   0.19565152  0.89446122  0.69905853
   0.29357716  0.67577368 -0.03767982
   0.03726445  0.68387403  0.89963046
   0.60450659  0.05630032  0.10534572
   0.83258458  0.17310282  0.24014701
   0.65413009  0.28304741  0.01610042
   0.91883698  0.43432806  0.36349778
   0.03233076  0.36672267  0.17581184
   0.78139089  0.41264408  0.15372186
   0.70076101  0.17092602  0.41344925
   0.44370873  0.15263315  0.44027830
   0.61797522  0.08669289  0.58303761
   0.84325868  0.20385420  0.80456871
   0.57403612  0.33053015  0.53372544
   0.86986880  0.46900509  0.85750628
   1.01702841  0.46202813  0.69969636
   0.73218132  0.41218215  0.68695485
   0.76442297  0.03627429  0.95557564
   0.48167759  0.12650745  0.94597148
   0.58663033  0.54189802  0.06917648
   0.85990708  0.67335890  0.27102047
   0.58190818  0.81116029  0.01951611
   0.83732666  0.93460408  0.34306141
   0.90382361  0.88159873  0.15621101
   0.65721310  0.83991422  0.20422872
   0.79650432  0.65294326  0.44487144
   0.54898933  0.59000634  0.36488580
   0.58708804  0.59520754  0.55498872
   0.80654036  0.71112847  0.80450238
   0.60458807  0.82507063  0.43144401
   0.93515049  0.94356495  0.82858756
   0.94882263  0.80144889  0.66510875
   0.71011147  0.92873974  0.72450006
   0.78151844  0.66495204  0.98023580
   0.53407064  0.62138958  0.89040963
   0.69985483  0.84401639  0.56003857
   0.50554996  0.87116014  0.43614636
   0.88830736  0.23493373  0.05809106
   1.00062768  0.39156526  0.33312636
   0.32610190  0.07748651  0.62433869
   0.25483248  0.74624047  0.79284619
   0.13782337  1.10229719  0.17732272
   0.24004100  1.13005579  0.04237447
   0.64462326  0.32780184  0.84959089
   0.92425151  0.48248406  0.69225586
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987806    0.071210   -0.217302
    -0.000000    9.719098    0.031308
    -0.000000    0.000000   14.039443
   Si   O    H 
    32    64    10
Direct configuration=  2405
   0.14969716  0.17888124 -0.03088991
   0.33656772  0.08568895  0.37379932
   0.14487202  0.41778146  0.09952533
   0.37498633  0.31870140  0.23220971
   0.06395388  0.13715633  0.49671339
   0.39419981  0.12917880  0.85003288
   0.11367203  0.39467998  0.62291878
   0.37362963  0.37863595  0.74487265
   0.13953523  0.69023032 -0.00514745
   0.38637896  0.57948151  0.34256338
   0.05708313  0.91334425  0.13148568
   0.31596363  0.83525423  0.24168878
   0.16795132  0.63445743  0.47814872
   0.37191061  0.60787316  0.86753893
   0.07645834  0.86512551  0.61350270
   0.34644490  0.95336912  0.68203918
   0.62728172  0.12062709  0.99465802
   0.82606327  0.11495307  0.34662131
   0.62496119  0.39431639  0.10387504
   0.88899556  0.28983926  0.15424383
   0.58564139  0.18343512  0.48944843
   0.89160215  0.08522422  0.88103166
   0.59851636  0.44126764  0.61767729
   0.77102937  0.35665931  0.79960853
   0.61912956  0.65394426 -0.01142380
   0.90777651  0.60425783  0.36649057
   0.56034875  0.89866424  0.11682158
   0.82056105  0.82971688  0.24774786
   0.63579130  0.66203426  0.45534753
   0.87821036  0.62576735  0.89101591
   0.62669056  0.92688877  0.62519660
   0.84779008  0.84842684  0.74999668
   0.07911611  0.08002602  0.13352791
   0.33290067  0.16754726  0.27105563
   0.12247555  0.34256739 -0.00043330
   0.33347270  0.41915635  0.31806854
   0.52600711  0.33239675  0.18288404
   0.27308576  0.36487791  0.14948246
   0.20539093  0.11784155  0.44394726
  -0.03969833  0.15512978  0.40518231
   0.01957780  0.01067577  0.56946628
   0.45006693  0.24736115  0.78827341
   0.03190051  0.26453079  0.57094270
   0.32023849  0.44962274  0.84795203
   0.47285729  0.46760307  0.68331200
   0.23930188  0.34192691  0.69001698
   0.23831059  0.16080272 -0.12186036
   0.00907063  0.10373018  0.95606772
   0.12018761  0.57693047  0.07660519
   0.33468607  0.67711615  0.26118147
   0.08288900  0.83466777  0.03317153
   0.36401863  0.92708323  0.33847674
   0.40519967  0.86751923  0.15079065
   0.15409449  0.84822928  0.21625336
   0.31749340  0.63044879  0.43592292
   0.05957116  0.66488885  0.39088051
   0.16997178  0.49956781  0.54590777
   0.34295540  0.71183842  0.77327370
   0.16235937  0.77458462  0.53910879
   0.39902847  0.99128447  0.78858350
   0.47402834  0.87235441  0.64287912
   0.19543821  0.89320688  0.69924318
   0.29409309  0.67431174 -0.03736558
   0.04062002  0.68167930  0.89937992
   0.60504482  0.05737763  0.10465982
   0.83078986  0.17383085  0.23943054
   0.65198557  0.28210116  0.01600179
   0.91988215  0.43495026  0.36345656
   0.03409359  0.36637372  0.17674653
   0.78099281  0.41310082  0.15320075
   0.70004728  0.17166822  0.41335101
   0.44321853  0.15392374  0.44028324
   0.61788397  0.08594602  0.58282277
   0.84298740  0.20284862  0.80408582
   0.57306481  0.33032384  0.53504656
   0.87017036  0.46720387  0.85731296
   1.01720045  0.46237115  0.69957944
   0.73175300  0.41302389  0.68759128
   0.76544009  0.03879758  0.95558020
   0.48288221  0.12592223  0.94718323
   0.58661080  0.54195754  0.06859408
   0.86087668  0.67547564  0.26943655
   0.58203343  0.81060682  0.01980595
   0.83647452  0.93517848  0.34357443
   0.90529317  0.88136826  0.15823691
   0.65778452  0.84047781  0.20433350
   0.79540610  0.65325156  0.44409823
   0.54931799  0.58954165  0.36467616
   0.58590869  0.59437123  0.55553125
   0.80673850  0.71146483  0.80372106
   0.60376112  0.82546858  0.43152420
   0.93427396  0.94509336  0.82824473
   0.94939187  0.80106224  0.66506236
   0.71082712  0.92975061  0.72395816
   0.77965659  0.66509106  0.98039292
   0.53228819  0.62066025  0.89102005
   0.69739023  0.84656100  0.56009062
   0.51555443  0.86923030  0.43981689
   0.89010237  0.24172019  0.05682638
   0.99338638  0.39837199  0.33772876
   0.32015534  0.07609278  0.62750866
   0.25469489  0.74667220  0.79009714
   0.14945633  1.11326097  0.18222431
   0.24451895  1.13002006  0.04240601
   0.64848530  0.33111375  0.84720956
   0.92385078  0.48618870  0.69434331
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987812    0.067075   -0.217110
    -0.000000    9.719747    0.033228
    -0.000000    0.000000   14.038647
   Si   O    H 
    32    64    10
Direct configuration=  2406
   0.15005967  0.17948030 -0.03040288
   0.33618567  0.08579413  0.37399378
   0.14548018  0.41688158  0.09947432
   0.37591399  0.31883825  0.23129960
   0.06477979  0.13769883  0.49698764
   0.39481185  0.12930144  0.85034448
   0.11373015  0.39479449  0.62284982
   0.37376036  0.37888536  0.74587397
   0.13936033  0.68934343 -0.00461183
   0.38805565  0.57771748  0.34367013
   0.05664192  0.91323148  0.13141744
   0.31521649  0.83486888  0.24130556
   0.16722393  0.63293911  0.47895262
   0.36897249  0.60822098  0.86750728
   0.07639193  0.86569097  0.61436099
   0.34559277  0.95374179  0.68244466
   0.62760302  0.12000125  0.99549115
   0.82486569  0.11482800  0.34747807
   0.62718789  0.39452834  0.10413643
   0.88951175  0.28988689  0.15458702
   0.58519876  0.18209031  0.48991331
   0.89090194  0.08460467  0.88192069
   0.59830790  0.44087360  0.61849473
   0.77273884  0.35666543  0.79949187
   0.61916255  0.65314125 -0.01216335
   0.90884105  0.60291155  0.36625143
   0.56021581  0.89906794  0.11642923
   0.82048252  0.82919340  0.24874403
   0.63559147  0.66227022  0.45510530
   0.87834494  0.62661891  0.89057399
   0.62625773  0.92830020  0.62588242
   0.84766448  0.84876058  0.75018736
   0.07945860  0.08223198  0.13345476
   0.33189602  0.16540917  0.27068946
   0.12098653  0.34133904 -0.00065790
   0.33519813  0.42001703  0.31745210
   0.52627541  0.33297632  0.18453021
   0.27349453  0.36553414  0.15033766
   0.20408419  0.11852666  0.44428414
  -0.03919460  0.15550540  0.40388139
   0.01830463  0.01019880  0.56949217
   0.45156855  0.24586248  0.78793018
   0.03070757  0.26383678  0.57061874
   0.31960945  0.44824631  0.84734706
   0.47208226  0.46758185  0.68195103
   0.23928843  0.34201180  0.69082497
   0.23767235  0.15940860 -0.12255729
   0.00975407  0.10378791  0.95664072
   0.12016561  0.57674437  0.07567855
   0.33260860  0.67736937  0.26164055
   0.08218912  0.83462997  0.03270649
   0.36480442  0.92677598  0.33915535
   0.40654062  0.86489788  0.15228958
   0.15407787  0.84781685  0.21608198
   0.31722238  0.63122723  0.43589663
   0.05904555  0.66477296  0.39005074
   0.17021222  0.49787445  0.54472932
   0.34069801  0.71351122  0.77247689
   0.16048824  0.77472903  0.53925202
   0.39913117  0.99280708  0.78847721
   0.47397463  0.87086307  0.64159243
   0.19468283  0.89241861  0.69910371
   0.29364952  0.67230906 -0.03693936
   0.04455872  0.67925472  0.89963416
   0.60516648  0.05820624  0.10404423
   0.82970963  0.17562555  0.23826759
   0.65002120  0.28123631  0.01575607
   0.91926532  0.43590804  0.36359779
   0.03575240  0.36550787  0.17788276
   0.77988746  0.41400756  0.15276474
   0.69916294  0.17237394  0.41251239
   0.44264916  0.15592104  0.43976474
   0.61861179  0.08522066  0.58295153
   0.84278492  0.20189257  0.80411352
   0.57226274  0.33062806  0.53654278
   0.87123968  0.46475762  0.85708523
   1.01719472  0.46269527  0.69961276
   0.73144155  0.41340812  0.68773399
   0.76609684  0.04099843  0.95540765
   0.48447979  0.12435909  0.94842974
   0.58678465  0.54209949  0.06763967
   0.86174262  0.67717080  0.26755735
   0.58141208  0.80982847  0.02072418
   0.83553889  0.93609552  0.34400788
   0.90692838  0.88196793  0.15965770
   0.65764011  0.84064015  0.20465917
   0.79422971  0.65299750  0.44299328
   0.54958572  0.58834096  0.36462393
   0.58537411  0.59330142  0.55595653
   0.80682866  0.71169181  0.80270390
   0.60293031  0.82601864  0.43132110
   0.93247141  0.94635557  0.82726638
   0.94944758  0.80053806  0.66532142
   0.71185222  0.93079271  0.72336767
   0.77867955  0.66503909  0.98065741
   0.53081322  0.62047482  0.89141910
   0.69384943  0.84754636  0.55831534
   0.52575057  0.86869391  0.44264493
   0.89072563  0.24583989  0.05372200
   1.00254101  0.39630429  0.33471424
   0.31678115  0.07643869  0.62597522
   0.25155071  0.75113162  0.78301569
   0.15238323  1.12281169  0.18183779
   0.24878381  1.12992175  0.04397457
   0.64700396  0.33380057  0.84787045
   0.92106034  0.49193195  0.69620264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987873    0.062474   -0.216961
    -0.000000    9.720404    0.034747
    -0.000000    0.000000   14.037647
   Si   O    H 
    32    64    10
Direct configuration=  2407
   0.15056117  0.18052006 -0.03008907
   0.33588998  0.08646962  0.37457132
   0.14588366  0.41627241  0.09945903
   0.37686214  0.31896856  0.23025446
   0.06507096  0.13831101  0.49743515
   0.39529983  0.12894395  0.85126197
   0.11437644  0.39532896  0.62254249
   0.37348312  0.37888656  0.74761045
   0.13914939  0.68864532 -0.00426565
   0.39048911  0.57621905  0.34508968
   0.05679979  0.91348971  0.13154121
   0.31436983  0.83485018  0.24124859
   0.16635159  0.63218320  0.47932853
   0.36659575  0.60867607  0.86728414
   0.07682224  0.86656099  0.61524682
   0.34507484  0.95368774  0.68276228
   0.62824396  0.11936406  0.99660958
   0.82321016  0.11382267  0.34835938
   0.62933562  0.39401873  0.10436952
   0.88991748  0.28945462  0.15514850
   0.58427651  0.18005677  0.49026067
   0.88964258  0.08434261  0.88240616
   0.59846962  0.44079442  0.61929191
   0.77413573  0.35667770  0.79953649
   0.61921811  0.65258613 -0.01298748
   0.90995426  0.60183313  0.36609202
   0.56079136  0.89918090  0.11612542
   0.82002915  0.82867721  0.24953841
   0.63506811  0.66309889  0.45513950
   0.87820475  0.62700516  0.89026830
   0.62586412  0.92915765  0.62639870
   0.84785037  0.84957635  0.75048231
   0.07971612  0.08509137  0.13428831
   0.33043235  0.16429947  0.26993127
   0.11963952  0.34014258 -0.00098187
   0.33696259  0.42130349  0.31705361
   0.52578553  0.33334606  0.18618771
   0.27522899  0.36606892  0.15126278
   0.20394133  0.11853838  0.44450032
  -0.03807835  0.15547758  0.40246425
   0.01744893  0.00988733  0.56952405
   0.45348262  0.24462804  0.78684518
   0.02971351  0.26389856  0.56975148
   0.31922511  0.44741280  0.84643161
   0.47179663  0.46782173  0.68173937
   0.23903018  0.34287990  0.69176020
   0.23804701  0.15768015 -0.12338498
   0.00963073  0.10328243  0.95684191
   0.11964501  0.57648578  0.07458108
   0.33071181  0.67759307  0.26196157
   0.08112600  0.83387359  0.03250361
   0.36507812  0.92671708  0.34016152
   0.40811815  0.86256697  0.15344013
   0.15417086  0.84762021  0.21578771
   0.31626571  0.63170808  0.43600453
   0.05859989  0.66458677  0.38909287
   0.17011164  0.49659632  0.54301156
   0.33917173  0.71440725  0.77150745
   0.15876822  0.77545716  0.53957550
   0.39921464  0.99408221  0.78879436
   0.47323978  0.86888342  0.64027295
   0.19430257  0.89185899  0.69865548
   0.29314996  0.66981148 -0.03688814
   0.04702131  0.67672605  0.90031278
   0.60494284  0.05894672  0.10360232
   0.82869319  0.17723055  0.23735288
   0.64850283  0.28073495  0.01583415
   0.91911822  0.43677032  0.36346673
   0.03661721  0.36464928  0.17940700
   0.77852457  0.41392000  0.15285301
   0.69912190  0.17261559  0.41181674
   0.44223637  0.15776941  0.43948597
   0.61948110  0.08384397  0.58266150
   0.84230236  0.20099992  0.80362941
   0.57122609  0.33090492  0.53784714
   0.87128201  0.46251886  0.85751976
   1.01707674  0.46247221  0.69947854
   0.73100423  0.41353416  0.68764684
   0.76674500  0.04352091  0.95541333
   0.48563503  0.12195860  0.94916626
   0.58681397  0.54317579  0.06727614
   0.86221731  0.67832094  0.26583968
   0.58033724  0.80923664  0.02152512
   0.83550412  0.93762111  0.34391283
   0.90919370  0.88294392  0.16081024
   0.65686703  0.83990857  0.20490894
   0.79325922  0.65214264  0.44227345
   0.54988157  0.58680026  0.36480235
   0.58559722  0.59173650  0.55647970
   0.80675563  0.71137917  0.80237213
   0.60343890  0.82571988  0.43122243
   0.93042216  0.94781239  0.82601987
   0.94923529  0.80029586  0.66562513
   0.71297864  0.93120538  0.72299406
   0.77845598  0.66486085  0.98073813
   0.52993840  0.62005084  0.89134254
   0.69622909  0.84509721  0.55702127
   0.51895236  0.87751141  0.44727729
   0.88967403  0.24632989  0.05303430
   1.00436326  0.39997450  0.33179064
   0.31773898  0.07726620  0.62423745
   0.24762980  0.75922107  0.77702592
   0.14660569  1.12735836  0.17727675
   0.24765030  1.12839794  0.04402500
   0.64581957  0.33798969  0.84699349
   0.92327881  0.49543114  0.69632287
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987864    0.057696   -0.217000
    -0.000000    9.720817    0.036364
    -0.000000    0.000000   14.036841
   Si   O    H 
    32    64    10
Direct configuration=  2408
   0.15114166  0.18156451 -0.02933862
   0.33506443  0.08700483  0.37484324
   0.14620708  0.41507943  0.09967820
   0.37753998  0.31883106  0.22926798
   0.06455036  0.13897623  0.49782929
   0.39554321  0.12871180  0.85200765
   0.11511674  0.39589637  0.62174956
   0.37362001  0.37923281  0.74965622
   0.13908828  0.68750816 -0.00409910
   0.39238649  0.57508371  0.34729230
   0.05719941  0.91413626  0.13180919
   0.31341774  0.83503378  0.24091920
   0.16582049  0.63151787  0.47942538
   0.36419431  0.60980102  0.86710116
   0.07666575  0.86830096  0.61579637
   0.34461173  0.95320249  0.68315336
   0.62947347  0.11896185  0.99782217
   0.82226948  0.11232452  0.34907092
   0.63130850  0.39359872  0.10471883
   0.88983919  0.28923851  0.15573756
   0.58322230  0.17889879  0.49068056
   0.88896863  0.08380791  0.88269916
   0.59856657  0.44135213  0.61983329
   0.77537974  0.35675144  0.79985198
   0.61865424  0.65152386 -0.01358175
   0.91106579  0.60123821  0.36610946
   0.56124469  0.89936157  0.11604409
   0.81919703  0.82824739  0.25024531
   0.63371926  0.66366177  0.45534522
   0.87846774  0.62709442  0.88987494
   0.62549366  0.93000534  0.62636273
   0.84796582  0.85012491  0.75056898
   0.08024722  0.08775677  0.13529118
   0.32884449  0.16381412  0.26909441
   0.11887634  0.33938679 -0.00125638
   0.33860569  0.42195048  0.31727937
   0.52609329  0.33348336  0.18785721
   0.27686173  0.36678317  0.15138403
   0.20483008  0.11827808  0.44431587
  -0.03583288  0.15590939  0.40184740
   0.01636221  0.01094790  0.56935888
   0.45581997  0.24472737  0.78616759
   0.02959620  0.26446008  0.56907098
   0.31855268  0.44724911  0.84566552
   0.47200216  0.46842516  0.68180188
   0.23839669  0.34378120  0.69231821
   0.23840433  0.15674364 -0.12366843
   0.00995968  0.10272763  0.95687978
   0.11964587  0.57581718  0.07440216
   0.32852453  0.67687078  0.26237603
   0.07957023  0.83336663  0.03215424
   0.36525144  0.92640267  0.34069663
   0.40968872  0.86043781  0.15382637
   0.15357171  0.84736937  0.21532550
   0.31510518  0.63244458  0.43678966
   0.05869025  0.66426948  0.38831863
   0.16973874  0.49473063  0.54144263
   0.33863002  0.71425131  0.77070327
   0.15687955  0.77513441  0.53953652
   0.40011495  0.99470976  0.78912922
   0.47316787  0.86791881  0.63851281
   0.19348420  0.89121734  0.69865035
   0.29315973  0.66827433 -0.03680815
   0.04818774  0.67415083  0.90099789
   0.60421460  0.06032046  0.10326766
   0.82821619  0.17867061  0.23597388
   0.64747263  0.28041763  0.01651385
   0.91929915  0.43727723  0.36348261
   0.03709253  0.36333389  0.18083333
   0.77776008  0.41330270  0.15322403
   0.69909034  0.17316172  0.41115040
   0.44279160  0.15930120  0.43929975
   0.61961189  0.08254390  0.58209385
   0.84190781  0.20000695  0.80360408
   0.56964802  0.33121702  0.53817302
   0.87110699  0.46095947  0.85850633
   1.01715144  0.46230519  0.69942213
   0.73020939  0.41304419  0.68751127
   0.76676696  0.04585890  0.95520085
   0.48564127  0.11993230  0.94960804
   0.58699517  0.54366915  0.06684429
   0.86261471  0.67819339  0.26515629
   0.58011778  0.80787112  0.02182343
   0.83518398  0.93846165  0.34334024
   0.91127366  0.88378691  0.16219348
   0.65690147  0.83918470  0.20490573
   0.79276505  0.65134150  0.44127727
   0.54996717  0.58464991  0.36519176
   0.58615712  0.59080732  0.55744369
   0.80694162  0.71114068  0.80217881
   0.60341648  0.82540564  0.43168128
   0.92826039  0.94829155  0.82498426
   0.94878320  0.80045095  0.66629333
   0.71421412  0.93141592  0.72319788
   0.77841353  0.66540508  0.98119773
   0.52894278  0.61899862  0.89109013
   0.70061134  0.84198371  0.56001749
   0.51663247  0.88144614  0.45185670
   0.88946376  0.24805770  0.05529908
   0.99588494  0.40425673  0.33140292
   0.32140401  0.07666597  0.62318944
   0.24686103  0.76615634  0.77054935
   0.13559645  1.12677869  0.17134914
   0.24151751  1.12587162  0.04101336
   0.64457782  0.34329813  0.84780353
   0.92824055  0.49695777  0.69595769
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988410    0.053311   -0.216817
    -0.000000    9.721069    0.037988
    -0.000000    0.000000   14.035865
   Si   O    H 
    32    64    10
Direct configuration=  2409
   0.15212334  0.18243436 -0.02847061
   0.33441999  0.08785391  0.37514908
   0.14613620  0.41413564  0.09983972
   0.37834417  0.31869501  0.22873881
   0.06421225  0.13962701  0.49809201
   0.39581713  0.12823740  0.85307795
   0.11578598  0.39713903  0.62158739
   0.37379980  0.37895811  0.75180906
   0.13849598  0.68739394 -0.00397254
   0.39402893  0.57400563  0.34952293
   0.05796114  0.91545458  0.13163739
   0.31222339  0.83518332  0.24064691
   0.16597613  0.63092309  0.47960971
   0.36200638  0.61117862  0.86662775
   0.07617465  0.86926586  0.61637536
   0.34471351  0.95293372  0.68367011
   0.63067297  0.11872414  0.99915251
   0.82068320  0.11068120  0.34977468
   0.63328340  0.39292822  0.10529910
   0.89004138  0.28944128  0.15604484
   0.58248348  0.17798139  0.49086280
   0.88805069  0.08377424  0.88276623
   0.59923724  0.44227679  0.61993952
   0.77679060  0.35687208  0.80054642
   0.61770581  0.65097459 -0.01430056
   0.91167247  0.60131290  0.36607560
   0.56154596  0.89933226  0.11615783
   0.81813527  0.82893743  0.25112115
   0.63180314  0.66476221  0.45508382
   0.87873728  0.62690419  0.88946174
   0.62518684  0.93023681  0.62640979
   0.84899949  0.85088931  0.75067798
   0.07928110  0.08824725  0.13479852
   0.32768796  0.16347918  0.26811561
   0.11817942  0.33932334 -0.00212670
   0.34092618  0.42292892  0.31762348
   0.52712484  0.33380376  0.18914995
   0.27780966  0.36700309  0.15111838
   0.20623068  0.11724208  0.44398260
  -0.03365480  0.15646650  0.40189187
   0.01594445  0.01246684  0.56849915
   0.45800496  0.24510658  0.78536175
   0.03018989  0.26506317  0.56856086
   0.31791012  0.44800021  0.84529007
   0.47226436  0.46927214  0.68199194
   0.23766728  0.34462786  0.69209679
   0.23911829  0.15617802 -0.12415761
   0.01054761  0.10220464  0.95723288
   0.11903734  0.57426942  0.07488361
   0.32647740  0.67552454  0.26242100
   0.07808307  0.83283717  0.03188958
   0.36508184  0.92672269  0.34167154
   0.41125724  0.85941204  0.15424856
   0.15319100  0.84636645  0.21458830
   0.31421745  0.63265823  0.43754512
   0.05942337  0.66289862  0.38877690
   0.16907074  0.49261747  0.54009117
   0.33750582  0.71392433  0.77044802
   0.15472180  0.77523451  0.53961046
   0.40050581  0.99465946  0.78920661
   0.47292915  0.86781169  0.63690256
   0.19327351  0.89044940  0.69869493
   0.29422730  0.66683637 -0.03621398
   0.04867177  0.67145986  0.90141610
   0.60355618  0.06118503  0.10288503
   0.82743697  0.17975850  0.23491358
   0.64684193  0.28179354  0.01704984
   0.91824834  0.43752671  0.36368304
   0.03705055  0.36106678  0.18200475
   0.77764236  0.41256035  0.15358225
   0.69924029  0.17380518  0.40991197
   0.44285779  0.16013615  0.43852477
   0.61900329  0.08166933  0.58176154
   0.84111431  0.19912857  0.80300997
   0.56858827  0.33085849  0.53863442
   0.87086073  0.45973160  0.85972427
   1.01755046  0.46199057  0.69893674
   0.72974327  0.41202337  0.68705973
   0.76613281  0.04744110  0.95557694
   0.48515784  0.11809162  0.94997817
   0.58589046  0.54390282  0.06676572
   0.86291038  0.67832895  0.26499773
   0.58023342  0.80665655  0.02177918
   0.83485126  0.93910112  0.34227552
   0.91235248  0.88480782  0.16313328
   0.65702085  0.83877132  0.20439041
   0.79340587  0.65032291  0.44058579
   0.55062611  0.58213290  0.36599095
   0.58726654  0.58960576  0.55777763
   0.80743424  0.71093890  0.80224832
   0.60243125  0.82627615  0.43175006
   0.92628376  0.94900546  0.82410180
   0.94907198  0.80101696  0.66717096
   0.71563042  0.93255982  0.72322479
   0.77858849  0.66571810  0.98172731
   0.52784172  0.61777685  0.89068366
   0.70480176  0.84309672  0.56505696
   0.52366456  0.87399470  0.45315981
   0.88925088  0.24616155  0.05917682
   0.99093952  0.40668666  0.32851855
   0.32965095  0.07378568  0.62102850
   0.25139979  0.76585430  0.76518140
   0.15258320  1.14090109  0.18276382
   0.23491132  1.12463474  0.03923973
   0.64585990  0.34851921  0.84781237
   0.92973661  0.49745926  0.69326869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989211    0.049299   -0.215873
    -0.000000    9.721262    0.039300
    -0.000000    0.000000   14.035076
   Si   O    H 
    32    64    10
Direct configuration=  2410
   0.15212125  0.18340178 -0.02767035
   0.33408162  0.08839070  0.37537241
   0.14545245  0.41352531  0.10010643
   0.37906096  0.31882189  0.22855815
   0.06396766  0.14052703  0.49848632
   0.39608028  0.12763772  0.85433936
   0.11625700  0.39799517  0.62155294
   0.37392354  0.37850559  0.75337952
   0.13813953  0.68761013 -0.00341540
   0.39544138  0.57286117  0.35135807
   0.05836594  0.91707321  0.13180346
   0.31084793  0.83538979  0.24085955
   0.16500853  0.63046417  0.47963337
   0.36032728  0.61326175  0.86662488
   0.07571685  0.87003512  0.61657530
   0.34496302  0.95228496  0.68403610
   0.63212409  0.11854676  1.00020503
   0.81977294  0.10964692  0.35019821
   0.63483930  0.39251177  0.10609256
   0.89015689  0.29026860  0.15624476
   0.58216325  0.17721816  0.49093657
   0.88693758  0.08431853  0.88260863
   0.59992178  0.44301096  0.62003378
   0.77711390  0.35675735  0.80067667
   0.61670677  0.65136869 -0.01510314
   0.91152644  0.60106860  0.36620163
   0.56182190  0.89927073  0.11613123
   0.81728467  0.83050332  0.25162555
   0.62976897  0.66627526  0.45462294
   0.87864572  0.62648413  0.88937953
   0.62527064  0.93038461  0.62680470
   0.85018815  0.85177155  0.75074393
   0.07850097  0.08953544  0.13502959
   0.32656750  0.16281683  0.26659183
   0.11788936  0.33931462 -0.00314678
   0.34321085  0.42279895  0.31748186
   0.52917511  0.33313300  0.19020215
   0.27738259  0.36654570  0.14998435
   0.20749585  0.11531913  0.44356808
  -0.03114109  0.15667422  0.40222643
   0.01631921  0.01438148  0.56744257
   0.46046276  0.24554227  0.78507521
   0.03135934  0.26593522  0.56760392
   0.31765495  0.44971088  0.84466750
   0.47298102  0.46973806  0.68273459
   0.23759724  0.34536973  0.69206714
   0.23981080  0.15558369 -0.12466972
   0.01111323  0.10216248  0.95780569
   0.11882339  0.57265584  0.07584261
   0.32505749  0.67500293  0.26255732
   0.07764952  0.83290707  0.03201740
   0.36487979  0.92754661  0.34238770
   0.41286116  0.85851130  0.15473467
   0.15418197  0.84541818  0.21339231
   0.31387916  0.63289726  0.43882215
   0.06037997  0.66211215  0.38957550
   0.16844428  0.49086871  0.53825410
   0.33631532  0.71281321  0.77121370
   0.15205844  0.77544458  0.53949765
   0.40102402  0.99425861  0.78902882
   0.47214745  0.86775807  0.63544443
   0.19352329  0.88958959  0.69874397
   0.29477278  0.66541294 -0.03502831
   0.04868770  0.66774706  0.90180384
   0.60318714  0.06124246  0.10242103
   0.82670110  0.18056698  0.23434109
   0.64521392  0.28378596  0.01789847
   0.91715650  0.43836585  0.36403288
   0.03683043  0.35918829  0.18305312
   0.77740842  0.41228143  0.15408290
   0.69921760  0.17346567  0.40846843
   0.44345746  0.16158865  0.43772164
   0.61876444  0.08051077  0.58149625
   0.84094090  0.19901523  0.80217505
   0.56737689  0.33035740  0.53965917
   0.87019118  0.45818192  0.86071805
   1.01796266  0.46278155  0.69860017
   0.72966518  0.41154987  0.68710825
   0.76592112  0.04880511  0.95606176
   0.48499886  0.11597034  0.95015648
   0.58502230  0.54362748  0.06745663
   0.86368807  0.67778741  0.26509851
   0.58052072  0.80624739  0.02196532
   0.83464805  0.94003792  0.34133682
   0.91262764  0.88544868  0.16393651
   0.65784824  0.83853084  0.20425706
   0.79458294  0.64882103  0.43997626
   0.55150928  0.57954198  0.36675753
   0.58836709  0.58857185  0.55764156
   0.80776993  0.71037291  0.80226160
   0.60035796  0.82773860  0.43220260
   0.92527038  0.94881715  0.82386798
   0.94950201  0.80146590  0.66829003
   0.71638817  0.93347445  0.72245640
   0.77938572  0.66636991  0.98178114
   0.52610979  0.61608674  0.88999662
   0.71024642  0.84128415  0.57174374
   0.52522314  0.86896361  0.45113311
   0.88967283  0.24176347  0.06099433
   0.99473308  0.40312399  0.32216712
   0.33590309  0.07015033  0.61940866
   0.25718974  0.76389161  0.76332366
   0.15956351  1.14474312  0.19029496
   0.23579918  1.12018032  0.04257883
   0.64730667  0.35307489  0.84661887
   0.92499436  0.50301743  0.69024626
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989887    0.045022   -0.214969
    -0.000000    9.721819    0.040671
    -0.000000    0.000000   14.034194
   Si   O    H 
    32    64    10
Direct configuration=  2411
   0.15153825  0.18445038 -0.02683980
   0.33329087  0.08877951  0.37544353
   0.14414744  0.41322089  0.10029530
   0.37980384  0.31888638  0.22871815
   0.06354660  0.14108758  0.49840955
   0.39662332  0.12675354  0.85520969
   0.11610303  0.39876465  0.62160765
   0.37460433  0.37800525  0.75471924
   0.13773813  0.68794932 -0.00276878
   0.39693446  0.57168564  0.35269186
   0.05850841  0.91874933  0.13175772
   0.30989224  0.83585934  0.24170867
   0.16412591  0.63067245  0.47996322
   0.35927548  0.61467980  0.86632065
   0.07558024  0.87103818  0.61654837
   0.34588540  0.95143395  0.68448345
   0.63351832  0.11820923  1.00075160
   0.81923829  0.10912719  0.35020118
   0.63618740  0.39261814  0.10609939
   0.89000737  0.29105545  0.15645697
   0.58213799  0.17698690  0.49110233
   0.88539577  0.08536620  0.88234830
   0.60017680  0.44432182  0.62007744
   0.77753031  0.35623438  0.80086213
   0.61587121  0.65211615 -0.01593547
   0.91122276  0.60160857  0.36603180
   0.56172254  0.89879655  0.11690669
   0.81644293  0.83279118  0.25163344
   0.62831123  0.66803664  0.45437893
   0.87873097  0.62569369  0.88962840
   0.62530316  0.93012998  0.62683251
   0.85133860  0.85281435  0.75092156
   0.07794630  0.09000354  0.13548474
   0.32628100  0.16300090  0.26525822
   0.11727842  0.33986863 -0.00434595
   0.34539222  0.42224790  0.31758460
   0.53156670  0.33243784  0.19066292
   0.27705117  0.36610950  0.14843960
   0.20806746  0.11348210  0.44259613
  -0.02908589  0.15737766  0.40247915
   0.01682631  0.01577644  0.56584715
   0.46185539  0.24557188  0.78414850
   0.03276996  0.26763279  0.56699676
   0.31745858  0.45212542  0.84393613
   0.47302134  0.47028494  0.68443538
   0.23799404  0.34643171  0.69245645
   0.24029994  0.15526797 -0.12550822
   0.01129951  0.10238505  0.95813213
   0.11901946  0.57152850  0.07683699
   0.32355944  0.67409271  0.26314221
   0.07689929  0.83331136  0.03205582
   0.36362423  0.92786462  0.34256121
   0.41451429  0.85805980  0.15485883
   0.15576930  0.84457341  0.21172872
   0.31341109  0.63337750  0.43993852
   0.06073093  0.66110254  0.39046177
   0.16784914  0.48904623  0.53659162
   0.33599601  0.71182076  0.77234237
   0.14947333  0.77547715  0.53934882
   0.40160984  0.99337179  0.78906088
   0.47180974  0.86752949  0.63455820
   0.19282331  0.88925220  0.69864018
   0.29516107  0.66510260 -0.03408180
   0.04827433  0.66384752  0.90263320
   0.60232473  0.06025634  0.10228476
   0.82621180  0.18125139  0.23432490
   0.64375288  0.28592623  0.01846703
   0.91727622  0.43875067  0.36448127
   0.03704117  0.35690807  0.18397793
   0.77762320  0.41193400  0.15503663
   0.69796160  0.17262014  0.40683444
   0.44389662  0.16254058  0.43695508
   0.61818596  0.07923518  0.58089408
   0.84119999  0.19856891  0.80094139
   0.56620502  0.33015013  0.54011662
   0.86932585  0.45792399  0.86178160
   1.01803559  0.46394760  0.69873636
   0.73009849  0.41105356  0.68794653
   0.76548958  0.05061816  0.95691191
   0.48530448  0.11433192  0.95019307
   0.58508005  0.54312107  0.06786035
   0.86510187  0.67683254  0.26492068
   0.58048122  0.80612129  0.02258619
   0.83538558  0.94055048  0.34016476
   0.91187115  0.88596257  0.16464162
   0.65845058  0.83825928  0.20387176
   0.79530412  0.64692620  0.43913759
   0.55287784  0.57757508  0.36769060
   0.59063031  0.58724101  0.55678701
   0.80925455  0.71022555  0.80222466
   0.60033842  0.82902713  0.43213485
   0.92532925  0.94867792  0.82398761
   0.94866492  0.80243337  0.66943857
   0.71676020  0.93495344  0.72215919
   0.78029955  0.66722250  0.98130740
   0.52473599  0.61472831  0.88908771
   0.71096693  0.83586945  0.57516959
   0.50813142  0.87520021  0.45259294
   0.88863263  0.23574770  0.06066783
   0.99201560  0.40265529  0.32373070
   0.33745482  0.06816878  0.61861860
   0.25109099  0.76778753  0.76037941
   0.15677355  1.13655729  0.19085231
   0.23933568  1.11521412  0.04779753
   0.64728738  0.35732328  0.84749955
   0.92615896  0.50365077  0.68509857
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989956    0.040486   -0.214576
    -0.000000    9.722505    0.041780
    -0.000000    0.000000   14.033230
   Si   O    H 
    32    64    10
Direct configuration=  2412
   0.15088551  0.18454638 -0.02632735
   0.33295231  0.08917012  0.37520775
   0.14309145  0.41301812  0.10034128
   0.38047420  0.31842298  0.22928560
   0.06343006  0.14192003  0.49831891
   0.39701116  0.12672379  0.85579109
   0.11533116  0.39874718  0.62144086
   0.37525234  0.37726130  0.75529822
   0.13825785  0.68789697 -0.00244313
   0.39815065  0.57146048  0.35362297
   0.05870095  0.92088313  0.13193231
   0.30941894  0.83561720  0.24257440
   0.16336486  0.63072344  0.48018004
   0.35912337  0.61609277  0.86597841
   0.07572389  0.87180458  0.61614895
   0.34649912  0.95076157  0.68505816
   0.63474289  0.11819151  1.00093960
   0.81957704  0.10847712  0.35006394
   0.63681722  0.39195363  0.10601643
   0.88948947  0.29160599  0.15645883
   0.58195146  0.17676837  0.49153184
   0.88345342  0.08568081  0.88211819
   0.60050906  0.44543490  0.61979109
   0.77736977  0.35595756  0.80101238
   0.61461211  0.65266365 -0.01656874
   0.91118498  0.60189652  0.36630131
   0.56149529  0.89800521  0.11784211
   0.81616684  0.83462585  0.25160319
   0.62679194  0.66941217  0.45475202
   0.87891068  0.62518610  0.88951801
   0.62576115  0.92944112  0.62720845
   0.85244468  0.85382891  0.75110520
   0.07841680  0.09065184  0.13618807
   0.32643738  0.16335371  0.26423758
   0.11653830  0.34080552 -0.00489394
   0.34754990  0.42217876  0.31761155
   0.53419024  0.33231713  0.19124687
   0.27721005  0.36533074  0.14758651
   0.20799069  0.11132423  0.44197515
  -0.02730190  0.15839762  0.40262659
   0.01766859  0.01668785  0.56451701
   0.46299581  0.24537836  0.78359351
   0.03406272  0.26914937  0.56620010
   0.31720420  0.45458092  0.84420451
   0.47282031  0.47015013  0.68590514
   0.23783210  0.34657658  0.69236661
   0.24120028  0.15497286 -0.12618716
   0.01145346  0.10335367  0.95778322
   0.11957508  0.57162788  0.07823532
   0.32228305  0.67312916  0.26428805
   0.07675933  0.83388488  0.03241204
   0.36164719  0.92807057  0.34269752
   0.41535347  0.85763604  0.15465403
   0.15740849  0.84466926  0.21034877
   0.31270144  0.63357578  0.44095760
   0.06076244  0.66020744  0.39128291
   0.16767262  0.48770820  0.53484878
   0.33542228  0.71045756  0.77317301
   0.14792170  0.77481236  0.53919428
   0.40238209  0.99283803  0.78900215
   0.47097172  0.86804439  0.63371866
   0.19233678  0.88949995  0.69848545
   0.29567218  0.66464587 -0.03286672
   0.04710888  0.65999359  0.90300747
   0.60211186  0.05832075  0.10321110
   0.82574504  0.18173663  0.23480702
   0.64210646  0.28841966  0.01896688
   0.91749209  0.43876018  0.36517782
   0.03690837  0.35369865  0.18477881
   0.77796169  0.41193588  0.15577106
   0.69666529  0.17167796  0.40543877
   0.44311995  0.16371828  0.43613881
   0.61758258  0.07800444  0.57999526
   0.84150619  0.19909033  0.80018801
   0.56480412  0.32951490  0.53945580
   0.86864634  0.45772673  0.86293413
   1.01783223  0.46577866  0.69913252
   0.73102766  0.41005952  0.68911836
   0.76411107  0.05315052  0.95778257
   0.48641562  0.11209580  0.95086226
   0.58536502  0.54296662  0.06849858
   0.86639296  0.67573730  0.26512506
   0.57970287  0.80612383  0.02232273
   0.83581594  0.94160665  0.33887959
   0.91058096  0.88599216  0.16536946
   0.65897312  0.83844767  0.20325722
   0.79563379  0.64536905  0.43899963
   0.55440560  0.57620983  0.36878293
   0.59295945  0.58623683  0.55612832
   0.81040620  0.70929490  0.80258969
   0.59961346  0.83084667  0.43214045
   0.92551525  0.94909387  0.82483295
   0.94719691  0.80394241  0.67044157
   0.71716507  0.93691273  0.72204712
   0.78180078  0.66765248  0.98077387
   0.52364709  0.61404587  0.88840242
   0.70926174  0.82817390  0.57562261
   0.49751168  0.87233104  0.45176537
   0.88689886  0.22889830  0.06099513
   0.98524386  0.40106818  0.32971437
   0.33669094  0.06437057  0.61525508
   0.24513488  0.76995127  0.75874064
   0.14984852  1.12010898  0.18595168
   0.24229960  1.11416187  0.04873470
   0.64593660  0.35573339  0.84676310
   0.92964038  0.50214519  0.68016219
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990137    0.036405   -0.213871
    -0.000000    9.723217    0.042721
    -0.000000    0.000000   14.032275
   Si   O    H 
    32    64    10
Direct configuration=  2413
   0.15101591  0.18465932 -0.02575627
   0.33278450  0.08915696  0.37446587
   0.14184535  0.41349274  0.10059954
   0.38162784  0.31809932  0.22977777
   0.06343811  0.14189341  0.49823693
   0.39727128  0.12710202  0.85640208
   0.11485261  0.39774802  0.62182369
   0.37596756  0.37699957  0.75544028
   0.13884883  0.68748635 -0.00211410
   0.39891124  0.57202860  0.35439882
   0.05941347  0.92230298  0.13242328
   0.30954245  0.83518297  0.24349673
   0.16287198  0.63128293  0.48026477
   0.35915509  0.61732453  0.86577384
   0.07568875  0.87254895  0.61602347
   0.34690941  0.94968271  0.68537082
   0.63607937  0.11907693  1.00144513
   0.81992503  0.10842917  0.34993577
   0.63657789  0.39184608  0.10622129
   0.88934687  0.29217823  0.15684302
   0.58222960  0.17695285  0.49212013
   0.88243154  0.08511158  0.88168811
   0.60083547  0.44676659  0.61972891
   0.77654225  0.35571516  0.80164972
   0.61398052  0.65339837 -0.01694292
   0.91113493  0.60233029  0.36663278
   0.56123287  0.89731034  0.11839517
   0.81574598  0.83555725  0.25114265
   0.62510624  0.67083804  0.45533956
   0.87909615  0.62437212  0.88960164
   0.62585640  0.92802478  0.62733118
   0.85298847  0.85448696  0.75116677
   0.07894032  0.09146156  0.13761724
   0.32697023  0.16355145  0.26358506
   0.11480854  0.34209240 -0.00529114
   0.34991381  0.42228871  0.31753573
   0.53616046  0.33163301  0.19204885
   0.27702058  0.36474342  0.14621352
   0.20714829  0.10911164  0.44182767
  -0.02603762  0.15911240  0.40237153
   0.01856627  0.01716630  0.56371882
   0.46387164  0.24575506  0.78345403
   0.03553352  0.27084622  0.56565134
   0.31723877  0.45714786  0.84536848
   0.47290549  0.47023653  0.68760409
   0.23711783  0.34661629  0.69200560
   0.24097485  0.15493520 -0.12679472
   0.01138441  0.10400798  0.95775819
   0.11952891  0.57213154  0.08001686
   0.32160205  0.67182795  0.26561244
   0.07772045  0.83408093  0.03273880
   0.35921458  0.92786626  0.34276834
   0.41545419  0.85794805  0.15491510
   0.15916315  0.84521898  0.20881284
   0.31237033  0.63409251  0.44183303
   0.06119324  0.65940857  0.39202363
   0.16777963  0.48574989  0.53328247
   0.33432650  0.71048402  0.77345792
   0.14650529  0.77341202  0.53893085
   0.40313502  0.99226298  0.78923066
   0.47074361  0.86804043  0.63286151
   0.19161155  0.88867676  0.69807070
   0.29627807  0.66481147 -0.03214830
   0.04523712  0.65679609  0.90312734
   0.60193332  0.05702187  0.10429950
   0.82516549  0.18197928  0.23576655
   0.64054489  0.28961062  0.01972840
   0.91688940  0.43817610  0.36598434
   0.03641350  0.35042310  0.18516614
   0.77869855  0.41157263  0.15648486
   0.69501636  0.17036522  0.40434146
   0.44233990  0.16425834  0.43533473
   0.61706903  0.07681395  0.57951442
   0.84085709  0.19952442  0.79951917
   0.56403698  0.32934879  0.53903126
   0.86822115  0.45874454  0.86331686
   1.01745120  0.46804574  0.69954984
   0.73210917  0.40915216  0.69061826
   0.76226194  0.05497379  0.95857396
   0.48769598  0.11001567  0.95092419
   0.58585408  0.54294001  0.06945360
   0.86691393  0.67434896  0.26603562
   0.57878496  0.80666719  0.02212639
   0.83524200  0.94314991  0.33765099
   0.90915845  0.88626080  0.16615055
   0.65994540  0.83854489  0.20302998
   0.79507401  0.64512314  0.43887843
   0.55558235  0.57523326  0.36971764
   0.59587309  0.58657321  0.55514069
   0.81088549  0.70854907  0.80243447
   0.59814971  0.83223367  0.43275531
   0.92527480  0.94952513  0.82624696
   0.94713931  0.80563771  0.67149419
   0.71735823  0.93865828  0.72191599
   0.78233770  0.66778376  0.97997238
   0.52312096  0.61274504  0.88772553
   0.70819496  0.82275584  0.57408211
   0.49828226  0.86385028  0.44753529
   0.88583621  0.22340590  0.06125682
   0.98693674  0.39022051  0.32974659
   0.33193017  0.06306879  0.61341490
   0.24841185  0.76083765  0.75858762
   0.13968005  1.10112616  0.17969450
   0.24319239  1.11611240  0.04622332
   0.64451939  0.35424314  0.84843447
   0.93439632  0.49798761  0.67755486
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990015    0.032064   -0.212776
    -0.000000    9.723908    0.043345
    -0.000000    0.000000   14.031482
   Si   O    H 
    32    64    10
Direct configuration=  2414
   0.15135849  0.18398776 -0.02532933
   0.33144175  0.08912856  0.37328490
   0.14060494  0.41441274  0.10064832
   0.38212109  0.31795585  0.23015052
   0.06424476  0.14176363  0.49753362
   0.39785936  0.12748160  0.85707565
   0.11450780  0.39585889  0.62228360
   0.37649740  0.37691715  0.75511772
   0.13966225  0.68718932 -0.00152960
   0.39943390  0.57270955  0.35508946
   0.05943470  0.92354957  0.13303069
   0.30974751  0.83410661  0.24467215
   0.16252981  0.63192187  0.48037884
   0.35934989  0.61814504  0.86593168
   0.07584641  0.87276003  0.61583867
   0.34728202  0.94890392  0.68573167
   0.63657435  0.12063544  1.00239842
   0.82113075  0.10834014  0.34990306
   0.63618368  0.39184319  0.10722215
   0.88900039  0.29254894  0.15705650
   0.58283473  0.17691463  0.49232738
   0.88179629  0.08501849  0.88139498
   0.60055789  0.44775197  0.61938575
   0.77546088  0.35549968  0.80196094
   0.61387951  0.65365645 -0.01748052
   0.91083469  0.60235852  0.36699654
   0.56162037  0.89613283  0.11877006
   0.81542535  0.83590538  0.25072300
   0.62460462  0.67142527  0.45618324
   0.87933225  0.62367114  0.88997431
   0.62618935  0.92630809  0.62739670
   0.85341834  0.85491602  0.75178340
   0.07762588  0.09092950  0.13818280
   0.32739322  0.16335965  0.26332687
   0.11264987  0.34359564 -0.00484790
   0.35168849  0.42275883  0.31759231
   0.53762703  0.33110468  0.19237481
   0.27790749  0.36438517  0.14490566
   0.20573322  0.10744783  0.44194323
  -0.02479910  0.15922390  0.40203681
   0.01980094  0.01628389  0.56330908
   0.46403721  0.24691830  0.78431591
   0.03733166  0.27309921  0.56485963
   0.31768768  0.45909025  0.84682821
   0.47214904  0.47047492  0.68935860
   0.23605577  0.34573474  0.69176524
   0.24000513  0.15511185 -0.12743592
   0.01149680  0.10454154  0.95726614
   0.11903880  0.57296826  0.08138411
   0.32155536  0.67043266  0.26730624
   0.07928762  0.83462220  0.03339035
   0.35731331  0.92732340  0.34262365
   0.41478921  0.85847991  0.15623884
   0.15994314  0.84515954  0.20740471
   0.31280573  0.63438193  0.44251980
   0.06194356  0.65823124  0.39245654
   0.16846248  0.48366381  0.53140704
   0.33247660  0.71022779  0.77428465
   0.14492710  0.77188817  0.53890760
   0.40386670  0.99144597  0.78937649
   0.46986831  0.86875049  0.63228501
   0.19092410  0.88909973  0.69780763
   0.29660697  0.66560927 -0.03150314
   0.04359075  0.65389987  0.90289782
   0.60144657  0.05558657  0.10536696
   0.82571913  0.18347057  0.23726739
   0.63911687  0.28996605  0.01972695
   0.91672761  0.43722948  0.36670476
   0.03571665  0.34752368  0.18551730
   0.77938650  0.41204294  0.15716025
   0.69409505  0.16934613  0.40346548
   0.44203043  0.16384691  0.43464196
   0.61624307  0.07552335  0.57830898
   0.84095805  0.20025885  0.79962826
   0.56348868  0.33035640  0.53836145
   0.86768763  0.45963579  0.86362660
   1.01768309  0.47103452  0.70005672
   0.73351291  0.40902251  0.69161414
   0.76016735  0.05592940  0.95901817
   0.48782388  0.10820013  0.95082698
   0.58714333  0.54261394  0.06984105
   0.86679639  0.67314843  0.26706498
   0.57759782  0.80725628  0.02210109
   0.83479543  0.94427465  0.33717606
   0.90808955  0.88702079  0.16699661
   0.66232890  0.83812996  0.20283418
   0.79437209  0.64460927  0.43941246
   0.55645524  0.57405881  0.37055909
   0.59798149  0.58765933  0.55454697
   0.81091222  0.70818338  0.80221056
   0.59590095  0.83455804  0.43306933
   0.92454338  0.94955549  0.82784550
   0.94702924  0.80752294  0.67157247
   0.71788443  0.94138636  0.72200057
   0.78297249  0.66714802  0.97884665
   0.52332271  0.61216947  0.88639415
   0.70134280  0.82185316  0.57347317
   0.51060596  0.85163797  0.44032440
   0.88637656  0.22087700  0.06316794
   0.98675975  0.38223263  0.32937717
   0.32813230  0.06369757  0.61227736
   0.25351682  0.75259868  0.75920734
   0.15761058  1.09301232  0.19339767
   0.23980619  1.12007341  0.04347645
   0.64733739  0.35045390  0.84969573
   0.92888421  0.49958969  0.67221229
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.989672    0.028065   -0.211055
    -0.000000    9.724981    0.043917
    -0.000000    0.000000   14.030939
   Si   O    H 
    32    64    10
Direct configuration=  2415
   0.15123255  0.18379375 -0.02526114
   0.33036761  0.08936696  0.37209253
   0.13916253  0.41556883  0.10110730
   0.38318383  0.31746854  0.23082163
   0.06487483  0.14163313  0.49703886
   0.39817124  0.12781017  0.85777740
   0.11447404  0.39408838  0.62291024
   0.37702758  0.37741677  0.75515115
   0.14086389  0.68698232 -0.00111685
   0.39935320  0.57319910  0.35526145
   0.05871845  0.92467043  0.13336931
   0.31057536  0.83308605  0.24584600
   0.16249312  0.63223862  0.48028782
   0.35924763  0.61914904  0.86655945
   0.07633979  0.87274894  0.61575038
   0.34751403  0.94827050  0.68555990
   0.63631558  0.12229585  1.00334371
   0.82273436  0.10870373  0.34975384
   0.63567105  0.39186454  0.10814261
   0.88828351  0.29222191  0.15739433
   0.58389747  0.17713110  0.49184589
   0.88159568  0.08481304  0.88125449
   0.59974310  0.44882470  0.61945461
   0.77385107  0.35522251  0.80202321
   0.61367635  0.65390048 -0.01778181
   0.91020624  0.60230182  0.36740792
   0.56200003  0.89527268  0.11930586
   0.81474483  0.83614761  0.25000352
   0.62474996  0.67204196  0.45688289
   0.87985710  0.62305038  0.89027280
   0.62688779  0.92476699  0.62760967
   0.85317160  0.85541869  0.75234721
   0.07707182  0.08992308  0.13897975
   0.32816223  0.16301244  0.26377862
   0.11128415  0.34524995 -0.00362169
   0.35374350  0.42266833  0.31799245
   0.53958106  0.33027856  0.19217078
   0.27912881  0.36357159  0.14400458
   0.20487812  0.10659243  0.44240524
  -0.02422956  0.15899969  0.40187219
   0.02065521  0.01464140  0.56370580
   0.46372913  0.24788530  0.78586173
   0.03991258  0.27564185  0.56423983
   0.31789901  0.46048740  0.84793667
   0.47161783  0.47025803  0.69127714
   0.23557522  0.34478632  0.69157750
   0.23867214  0.15701691 -0.12780922
   0.01173048  0.10536697  0.95682863
   0.11890124  0.57390020  0.08308101
   0.32184599  0.66911825  0.26911241
   0.08075361  0.83546918  0.03394647
   0.35524780  0.92754681  0.34266888
   0.41393740  0.85906087  0.15768320
   0.16004718  0.84543108  0.20610035
   0.31272048  0.63454586  0.44252517
   0.06273603  0.65810519  0.39290575
   0.16931751  0.48245294  0.53016853
   0.33180517  0.70977030  0.77484144
   0.14385996  0.77017548  0.53906414
   0.40482800  0.99078585  0.78975554
   0.46922817  0.86924564  0.63170378
   0.19086143  0.88933946  0.69763485
   0.29726974  0.66743735 -0.03106096
   0.04108377  0.65150518  0.90259878
   0.60118268  0.05412046  0.10619322
   0.82636314  0.18509883  0.23858795
   0.63793210  0.28999733  0.01892786
   0.91670794  0.43552311  0.36735241
   0.03528078  0.34474399  0.18551645
   0.77998834  0.41353372  0.15771742
   0.69304560  0.16869536  0.40343951
   0.44283944  0.16361140  0.43437752
   0.61595238  0.07560306  0.57745812
   0.84192974  0.20051320  0.79927747
   0.56366172  0.33138517  0.53817649
   0.86775856  0.46060485  0.86436048
   1.01785983  0.47364686  0.70029852
   0.73455153  0.40838049  0.69183281
   0.75879491  0.05693731  0.95921957
   0.48853690  0.10675138  0.95055703
   0.58893883  0.54285390  0.07015538
   0.86701610  0.67261246  0.26727308
   0.57592463  0.80856789  0.02207950
   0.83460194  0.94576363  0.33620203
   0.90749806  0.88747524  0.16737886
   0.66458069  0.83779627  0.20256126
   0.79351744  0.64447146  0.44024817
   0.55716355  0.57342472  0.37108068
   0.60021638  0.58832244  0.55420388
   0.81061054  0.70764902  0.80205283
   0.59551356  0.83617218  0.43366554
   0.92404652  0.95033047  0.82945069
   0.94747012  0.81002240  0.67094848
   0.71866913  0.94372733  0.72193175
   0.78433227  0.66626941  0.97739589
   0.52437485  0.61131486  0.88523421
   0.69207513  0.82036498  0.57246011
   0.49340654  0.84662939  0.43212971
   0.88808479  0.22111551  0.06593718
   0.97859970  0.37905442  0.33202176
   0.32452174  0.06219452  0.61292492
   0.24027300  0.74989213  0.75897962
   0.16223398  1.09330309  0.19796121
   0.23803091  1.12474961  0.04053036
   0.64919783  0.34241681  0.85267735
   0.92572340  0.49633868  0.66885814
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988974    0.024118   -0.209913
    -0.000000    9.726124    0.044521
    -0.000000    0.000000   14.030008
   Si   O    H 
    32    64    10
Direct configuration=  2416
   0.15112038  0.18354609 -0.02528238
   0.32885306  0.08935340  0.37097346
   0.13759930  0.41659549  0.10154293
   0.38403966  0.31676341  0.23188619
   0.06580984  0.14177157  0.49637569
   0.39828833  0.12755508  0.85821816
   0.11433818  0.39211618  0.62348664
   0.37694377  0.37822460  0.75492201
   0.14178702  0.68697106 -0.00088289
   0.39905500  0.57415711  0.35521939
   0.05767088  0.92555108  0.13360278
   0.31111298  0.83179011  0.24659265
   0.16276793  0.63275228  0.48034124
   0.35877174  0.62003592  0.86745519
   0.07659294  0.87251568  0.61535299
   0.34722084  0.94759704  0.68551060
   0.63572122  0.12421020  1.00386140
   0.82382074  0.10969037  0.34909603
   0.63522544  0.39149652  0.10905662
   0.88732487  0.29138913  0.15784905
   0.58557971  0.17773812  0.49185758
   0.88135902  0.08451356  0.88165161
   0.59796359  0.44984023  0.61905449
   0.77249991  0.35511136  0.80232254
   0.61369117  0.65482569 -0.01802745
   0.91013142  0.60225344  0.36741702
   0.56264724  0.89468570  0.12015683
   0.81404626  0.83597193  0.24895844
   0.62529835  0.67228581  0.45736949
   0.88053854  0.62270146  0.89034251
   0.62707084  0.92400521  0.62784164
   0.85246774  0.85614803  0.75292697
   0.07717903  0.08829204  0.14019935
   0.32862183  0.16261091  0.26491052
   0.11056474  0.34778145 -0.00220430
   0.35581778  0.42186194  0.31845803
   0.54172173  0.33004490  0.19196214
   0.28047005  0.36317126  0.14272539
   0.20391388  0.10618221  0.44303907
  -0.02502235  0.15814453  0.40111314
   0.02154414  0.01309502  0.56394670
   0.46365875  0.24835147  0.78799127
   0.04256319  0.27707786  0.56349174
   0.31780877  0.46123142  0.84875055
   0.47130967  0.47038550  0.69263011
   0.23536672  0.34346323  0.69095410
   0.23727917  0.15863811 -0.12799113
   0.01178628  0.10560000  0.95628470
   0.11848286  0.57556647  0.08493900
   0.32252912  0.66742926  0.27094063
   0.08212036  0.83666059  0.03440635
   0.35368463  0.92840807  0.34275136
   0.41314465  0.86058130  0.15938400
   0.16026413  0.84567646  0.20450568
   0.31334624  0.63493119  0.44248675
   0.06316251  0.65757031  0.39315352
   0.16999294  0.48169954  0.52976923
   0.33117191  0.71006983  0.77495154
   0.14318878  0.76838452  0.53924658
   0.40491876  0.99033852  0.79000919
   0.46858418  0.86942513  0.63073836
   0.19077154  0.88952534  0.69749666
   0.29749038  0.66889868 -0.03034469
   0.03887516  0.64930978  0.90260834
   0.60073962  0.05295995  0.10670741
   0.82688638  0.18616208  0.24053465
   0.63720995  0.28966553  0.01755766
   0.91643523  0.43456758  0.36804754
   0.03509044  0.34196585  0.18523383
   0.78104197  0.41564073  0.15801354
   0.69210053  0.16805209  0.40335948
   0.44342901  0.16369020  0.43450464
   0.61584049  0.07581539  0.57656443
   0.84289631  0.20106798  0.79975766
   0.56448944  0.33273861  0.53786100
   0.86790799  0.46110034  0.86586947
   1.01707851  0.47618830  0.69993656
   0.73633282  0.40744076  0.69209189
   0.75965188  0.05851922  0.95898048
   0.48954891  0.10630895  0.95039216
   0.59005663  0.54268266  0.07008576
   0.86726785  0.67318836  0.26777232
   0.57346595  0.80995391  0.02210280
   0.83485410  0.94667014  0.33546894
   0.90651623  0.88687896  0.16704713
   0.66724381  0.83647732  0.20256605
   0.79235533  0.64584477  0.44103998
   0.55799897  0.57349491  0.37166435
   0.60235461  0.58883501  0.55377271
   0.81054678  0.70787488  0.80144446
   0.59424711  0.83759077  0.43385566
   0.92367449  0.95045849  0.83069285
   0.94880964  0.81273825  0.66962623
   0.71958466  0.94583762  0.72185018
   0.78551990  0.66537477  0.97680146
   0.52576722  0.61063999  0.88410832
   0.68939912  0.82011209  0.57076492
   0.48038629  0.84363772  0.42152152
   0.88869101  0.22560182  0.06899661
   0.97380464  0.38064915  0.33450154
   0.32058842  0.06435650  0.61379435
   0.23326904  0.74470642  0.75838195
   0.15632835  1.09936174  0.19523227
   0.24147290  1.12868010  0.04191128
   0.64662099  0.33607774  0.85551440
   0.93199411  0.48932402  0.67029839
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988603    0.020560   -0.208702
    -0.000000    9.727324    0.045136
    -0.000000    0.000000   14.028814
   Si   O    H 
    32    64    10
Direct configuration=  2417
   0.15115111  0.18381778 -0.02568727
   0.32811125  0.08940614  0.36952779
   0.13593490  0.41720789  0.10218196
   0.38486636  0.31662133  0.23295406
   0.06610285  0.14201891  0.49577945
   0.39815615  0.12720856  0.85829822
   0.11405869  0.39097160  0.62411447
   0.37676810  0.37853557  0.75442363
   0.14218208  0.68725043 -0.00061278
   0.39800166  0.57522915  0.35517678
   0.05633722  0.92610158  0.13378249
   0.31099522  0.83076616  0.24720252
   0.16312882  0.63326799  0.48021101
   0.35827604  0.62065218  0.86817596
   0.07640101  0.87181471  0.61520735
   0.34754105  0.94765885  0.68535691
   0.63517423  0.12658004  1.00389925
   0.82501946  0.11076897  0.34851712
   0.63452487  0.39127110  0.10956414
   0.88675514  0.29052049  0.15823823
   0.58692350  0.17833287  0.49176739
   0.88111355  0.08386088  0.88212681
   0.59554877  0.45100082  0.61853417
   0.77126427  0.35512263  0.80289056
   0.61398939  0.65570289 -0.01789222
   0.91047168  0.60192111  0.36751957
   0.56337879  0.89363984  0.12093169
   0.81382257  0.83541082  0.24854397
   0.62631204  0.67270322  0.45813027
   0.88087513  0.62191743  0.89014501
   0.62677015  0.92282476  0.62783282
   0.85174095  0.85641478  0.75380358
   0.07858806  0.08688819  0.14223312
   0.32817829  0.16265293  0.26597962
   0.11045016  0.34973274 -0.00123775
   0.35704169  0.42083927  0.31905357
   0.54239567  0.32897561  0.19259293
   0.28315079  0.36247433  0.14161363
   0.20375649  0.10587547  0.44390159
  -0.02651872  0.15701975  0.39984126
   0.02221898  0.01123553  0.56385961
   0.46303291  0.24780646  0.78971105
   0.04453740  0.27816178  0.56336063
   0.31704067  0.46114051  0.84981937
   0.47155138  0.47074123  0.69382836
   0.23519989  0.34307246  0.69125240
   0.23612974  0.16032239 -0.12793401
   0.01012765  0.10578391  0.95566314
   0.11800636  0.57792014  0.08678868
   0.32328659  0.66547845  0.27239816
   0.08349987  0.83773126  0.03432705
   0.35187952  0.92897847  0.34284633
   0.41208244  0.86211475  0.16163912
   0.16087409  0.84609126  0.20303049
   0.31431452  0.63593513  0.44304650
   0.06297406  0.65711679  0.39289897
   0.16965774  0.48140506  0.52998042
   0.32988535  0.71074828  0.77453329
   0.14178547  0.76751815  0.54025352
   0.40465149  0.98961069  0.79006414
   0.46877391  0.86877129  0.62970239
   0.19099371  0.89036960  0.69734408
   0.29747970  0.67029439 -0.02931793
   0.03750315  0.64786579  0.90298703
   0.60032120  0.05225670  0.10676840
   0.82867238  0.18703131  0.24152129
   0.63702704  0.28963392  0.01708305
   0.91619035  0.43436735  0.36829644
   0.03663905  0.34030392  0.18439535
   0.78177125  0.41760918  0.15898452
   0.69153502  0.16728414  0.40321279
   0.44357559  0.16301262  0.43454639
   0.61580552  0.07584312  0.57593029
   0.84442424  0.20118360  0.80043878
   0.56554886  0.33359855  0.53786333
   0.86760760  0.46107004  0.86739994
   1.01642078  0.47862469  0.69932860
   0.73688147  0.40701536  0.69252960
   0.76087966  0.05978203  0.95832688
   0.48964210  0.10502043  0.95093631
   0.59129890  0.54266550  0.06969625
   0.86768746  0.67391631  0.26886970
   0.57073656  0.81122847  0.02241689
   0.83435647  0.94768740  0.33514311
   0.90596381  0.88685765  0.16662004
   0.66996781  0.83581709  0.20277398
   0.79003805  0.64761150  0.44186224
   0.55859636  0.57384466  0.37217280
   0.60467593  0.59015440  0.55397325
   0.81029194  0.70799178  0.80078631
   0.59226504  0.83917008  0.43459216
   0.92395469  0.95014823  0.83100406
   0.94991718  0.81562236  0.66845934
   0.72014823  0.94743951  0.72217962
   0.78751982  0.66462348  0.97643877
   0.52728288  0.61055824  0.88330997
   0.69101946  0.82066186  0.57150563
   0.48647359  0.84159892  0.41100236
   0.88643422  0.22544495  0.06907499
   0.97979284  0.37506621  0.33519445
   0.31581230  0.06438169  0.61584973
   0.23249726  0.73988484  0.75796604
   0.14312277  1.10782187  0.18614889
   0.24767205  1.13284383  0.04361031
   0.64513910  0.33293199  0.85896190
   0.93090487  0.48417918  0.66875448
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988184    0.017204   -0.207312
    -0.000000    9.728081    0.044613
    -0.000000    0.000000   14.027665
   Si   O    H 
    32    64    10
Direct configuration=  2418
   0.15137408  0.18382534 -0.02599458
   0.32700648  0.08890377  0.36858124
   0.13496898  0.41728744  0.10298271
   0.38536608  0.31715052  0.23380041
   0.06620542  0.14230260  0.49562448
   0.39814438  0.12674992  0.85837327
   0.11392767  0.39027264  0.62502859
   0.37628633  0.37882699  0.75394828
   0.14216690  0.68762910 -0.00050967
   0.39757939  0.57592054  0.35500572
   0.05472971  0.92634741  0.13382166
   0.31092880  0.82939101  0.24773812
   0.16416220  0.63333401  0.47971588
   0.35881889  0.62106070  0.86902787
   0.07591794  0.87144722  0.61489646
   0.34778829  0.94734216  0.68477612
   0.63465883  0.12856210  1.00419855
   0.82624458  0.11231887  0.34774842
   0.63350640  0.39137570  0.11012940
   0.88590973  0.28954362  0.15864293
   0.58732464  0.17937609  0.49125693
   0.88063913  0.08422990  0.88311436
   0.59383390  0.45166314  0.61816479
   0.77084561  0.35536987  0.80371148
   0.61478804  0.65671037 -0.01805694
   0.91031497  0.60164150  0.36802579
   0.56384690  0.89257542  0.12219109
   0.81322552  0.83449166  0.24832229
   0.62763943  0.67337601  0.45854735
   0.88113772  0.62105363  0.88974934
   0.62619303  0.92168374  0.62758834
   0.85082970  0.85643579  0.75454747
   0.07978645  0.08627424  0.14392015
   0.32855222  0.16254539  0.26665843
   0.11058896  0.35085921 -0.00011822
   0.35927273  0.41950950  0.31992309
   0.54239516  0.32773861  0.19273400
   0.28582264  0.36184580  0.14094220
   0.20418845  0.10544168  0.44458968
  -0.02855564  0.15643697  0.39835495
   0.02238939  0.01006626  0.56378678
   0.46125390  0.24790367  0.79142484
   0.04628115  0.27799285  0.56313501
   0.31634321  0.46132936  0.85035019
   0.47239481  0.47070965  0.69526215
   0.23607462  0.34245713  0.69165514
   0.23534324  0.16184035 -0.12789437
   0.00841090  0.10539811  0.95525725
   0.11746236  0.57959437  0.08830394
   0.32414652  0.66490520  0.27398565
   0.08430921  0.83831564  0.03395989
   0.35028590  0.92847718  0.34290186
   0.41139558  0.86367697  0.16344702
   0.16182064  0.84713465  0.20200244
   0.31568243  0.63709700  0.44334500
   0.06248710  0.65652156  0.39266916
   0.16868126  0.48080331  0.53099883
   0.32789024  0.71126382  0.77395881
   0.14042572  0.76655240  0.54140335
   0.40501971  0.98936502  0.79057106
   0.46889142  0.86789187  0.62871866
   0.19171237  0.89189755  0.69779300
   0.29733140  0.67143265 -0.02823256
   0.03736642  0.64631626  0.90349473
   0.59971226  0.05188603  0.10724757
   0.83033272  0.18754430  0.24264874
   0.63630717  0.28999582  0.01660625
   0.91607420  0.43426161  0.36843170
   0.03917703  0.33779958  0.18390403
   0.78294850  0.41983943  0.15989663
   0.69081807  0.16695457  0.40291243
   0.44399116  0.16262497  0.43420873
   0.61555258  0.07557044  0.57501390
   0.84636793  0.20189951  0.80130637
   0.56639748  0.33494874  0.53765367
   0.86686595  0.46050791  0.86825721
   1.01660358  0.48020203  0.69861705
   0.73657212  0.40704524  0.69293640
   0.76188562  0.05998295  0.95663800
   0.49017736  0.10370179  0.95166770
   0.59257792  0.54255942  0.06964982
   0.86798141  0.67564791  0.26968784
   0.56783338  0.81174897  0.02297109
   0.83416980  0.94944192  0.33463477
   0.90591823  0.88737914  0.16593365
   0.67157596  0.83541710  0.20251643
   0.78756958  0.64896857  0.44247231
   0.55962025  0.57441167  0.37210974
   0.60673541  0.59119095  0.55447669
   0.81025376  0.70840085  0.80027950
   0.58946445  0.84055550  0.43513708
   0.92486831  0.94932079  0.83088047
   0.95064126  0.81785500  0.66775285
   0.72072802  0.94997734  0.72227192
   0.78847188  0.66429111  0.97585341
   0.52826041  0.61021258  0.88233985
   0.69803065  0.81903130  0.57253174
   0.50423702  0.84417780  0.40510616
   0.88435177  0.22659342  0.06570753
   0.98499266  0.37041789  0.33654063
   0.31227009  0.06412755  0.62100279
   0.24025396  0.73429317  0.75906845
   0.14398910  1.12343591  0.18546786
   0.25563468  1.13752859  0.04536225
   0.64487999  0.32941962  0.86072011
   0.92220405  0.48024749  0.66754843
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987320    0.014081   -0.205797
    -0.000000    9.728628    0.044072
    -0.000000    0.000000   14.025967
   Si   O    H 
    32    64    10
Direct configuration=  2419
   0.15129926  0.18320653 -0.02604254
   0.32585895  0.08841717  0.36773000
   0.13438976  0.41685142  0.10420355
   0.38631069  0.31763753  0.23427618
   0.06514794  0.14278232  0.49518333
   0.39868756  0.12630961  0.85829931
   0.11376207  0.39024123  0.62597983
   0.37573243  0.37924162  0.75320234
   0.14160871  0.68795919 -0.00020781
   0.39650247  0.57613724  0.35448209
   0.05262162  0.92623414  0.13380201
   0.31064710  0.82873335  0.24828080
   0.16620359  0.63276595  0.47931264
   0.35899313  0.62103462  0.86961598
   0.07550343  0.87073403  0.61473796
   0.34715316  0.94676660  0.68407938
   0.63383535  0.13046799  1.00464007
   0.82745123  0.11429498  0.34724989
   0.63235071  0.39089321  0.11055105
   0.88502526  0.28860102  0.15896357
   0.58752986  0.18037335  0.49105986
   0.88001457  0.08418789  0.88408296
   0.59206040  0.45200677  0.61760183
   0.77014990  0.35532951  0.80429680
   0.61596705  0.65744810 -0.01838474
   0.90969441  0.60153191  0.36910396
   0.56450294  0.89152807  0.12345914
   0.81261656  0.83445061  0.24848651
   0.62951498  0.67392242  0.45852447
   0.88104854  0.62026669  0.88926563
   0.62505775  0.92108588  0.62695213
   0.85092479  0.85691824  0.75523100
   0.08115711  0.08554273  0.14566480
   0.32950078  0.16268912  0.26719729
   0.11027525  0.35140856  0.00125998
   0.36112847  0.41816514  0.32003406
   0.54231058  0.32618277  0.19259525
   0.28826865  0.36141102  0.14006948
   0.20478697  0.10608520  0.44528256
  -0.03139135  0.15605614  0.39742104
   0.02207477  0.00935923  0.56362697
   0.45952180  0.24720807  0.79249836
   0.04740053  0.27650354  0.56351775
   0.31569020  0.46131849  0.85019245
   0.47417861  0.47121733  0.69609176
   0.23758870  0.34216109  0.69198087
   0.23495058  0.16281169 -0.12813885
   0.00689364  0.10494446  0.95520546
   0.11601622  0.58094676  0.08926047
   0.32547954  0.66542709  0.27486150
   0.08573269  0.83749964  0.03333897
   0.34825968  0.92787264  0.34282773
   0.41077268  0.86609545  0.16469595
   0.16314060  0.84779078  0.20168251
   0.31698091  0.63853972  0.44314095
   0.06097761  0.65577414  0.39251243
   0.16722958  0.47982607  0.53286387
   0.32621153  0.71297118  0.77330889
   0.13855619  0.76633037  0.54159362
   0.40516013  0.98958337  0.79089119
   0.46861494  0.86721154  0.62779021
   0.19272654  0.89379800  0.69829386
   0.29695124  0.67319514 -0.02731718
   0.03826546  0.64479453  0.90417971
   0.60018715  0.05109956  0.10783944
   0.83171461  0.18786804  0.24347683
   0.63577411  0.28955263  0.01640062
   0.91610254  0.43359994  0.36853961
   0.04148016  0.33628217  0.18326059
   0.78408023  0.42304093  0.16038216
   0.69039436  0.16672465  0.40257107
   0.44424312  0.16102486  0.43416278
   0.61645355  0.07460842  0.57397746
   0.84769541  0.20244523  0.80211075
   0.56691811  0.33630382  0.53759715
   0.86592629  0.45916834  0.86912407
   1.01668096  0.48000073  0.69777002
   0.73624716  0.40672488  0.69289580
   0.76297474  0.06032272  0.95475943
   0.49036245  0.10229917  0.95154193
   0.59342336  0.54277973  0.06845782
   0.86816614  0.67756305  0.27028208
   0.56545546  0.81183314  0.02341051
   0.83435934  0.95026351  0.33389051
   0.90607583  0.88779531  0.16560839
   0.67257376  0.83519201  0.20294578
   0.78732319  0.65021184  0.44305966
   0.56107184  0.57575186  0.37200507
   0.60879406  0.59178596  0.55509242
   0.80986162  0.70833494  0.79986752
   0.58703161  0.84165322  0.43559493
   0.92614979  0.94816051  0.83094424
   0.95099139  0.81849090  0.66736588
   0.72100593  0.95183464  0.72175169
   0.78828739  0.66383131  0.97539896
   0.52886513  0.61010402  0.88211390
   0.70637299  0.81735064  0.57559885
   0.51083771  0.85042595  0.39785748
   0.88303156  0.23010414  0.06122032
   0.98190443  0.37233886  0.33983269
   0.31171695  0.06851427  0.62555518
   0.23743361  0.73616734  0.75811205
   0.15021885  1.14250948  0.18759901
   0.26264664  1.14002045  0.04564141
   0.64903071  0.32868444  0.85973057
   0.92033457  0.47726729  0.67009562
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986634    0.011143   -0.204655
    -0.000000    9.729460    0.043418
    -0.000000    0.000000   14.024557
   Si   O    H 
    32    64    10
Direct configuration=  2420
   0.15201232  0.18261396 -0.02626737
   0.32515529  0.08771496  0.36787931
   0.13452055  0.41687862  0.10564133
   0.38717091  0.31777472  0.23467922
   0.06445114  0.14266844  0.49507483
   0.39886611  0.12559851  0.85804970
   0.11367847  0.39072503  0.62650668
   0.37471060  0.37878557  0.75284465
   0.14114921  0.68815407 -0.00032463
   0.39534406  0.57634794  0.35401118
   0.05055444  0.92559167  0.13357710
   0.31054967  0.82784641  0.24836900
   0.16823490  0.63194811  0.47930186
   0.35954564  0.62139813  0.86987774
   0.07536887  0.87086859  0.61468998
   0.34645547  0.94645820  0.68380716
   0.63266899  0.13197656  1.00489749
   0.82884495  0.11674153  0.34682968
   0.63181613  0.39017758  0.11055948
   0.88419392  0.28771294  0.15854894
   0.58744511  0.18114843  0.49094972
   0.87972811  0.08411865  0.88479849
   0.59082498  0.45247585  0.61743710
   0.76993384  0.35563294  0.80518960
   0.61704381  0.65788904 -0.01825470
   0.90865221  0.60119195  0.37049160
   0.56516488  0.89003911  0.12469295
   0.81249694  0.83409081  0.24856228
   0.63139536  0.67479734  0.45848109
   0.88105271  0.61925932  0.88828067
   0.62422028  0.92046685  0.62639569
   0.85076304  0.85786180  0.75573003
   0.08251168  0.08591606  0.14776212
   0.33160497  0.16345287  0.26776704
   0.11000139  0.35081864  0.00218255
   0.36331753  0.41745113  0.32052096
   0.54191066  0.32428281  0.19276314
   0.28899348  0.36108779  0.13910534
   0.20631817  0.10673141  0.44601381
  -0.03417217  0.15617635  0.39628101
   0.02257303  0.00900842  0.56309454
   0.45916613  0.24574648  0.79307187
   0.04853556  0.27476615  0.56368863
   0.31610789  0.46058542  0.85010643
   0.47663010  0.47159488  0.69627750
   0.24036001  0.34179416  0.69231530
   0.23513387  0.16432756 -0.12783010
   0.00658106  0.10440422  0.95601303
   0.11456631  0.58170384  0.09008080
   0.32695419  0.66568135  0.27500942
   0.08741109  0.83646843  0.03286686
   0.34634129  0.92654123  0.34297317
   0.41013388  0.86816121  0.16536158
   0.16440544  0.84807708  0.20136377
   0.31798299  0.63962738  0.44284823
   0.05910062  0.65474471  0.39263797
   0.16570851  0.47968549  0.53485826
   0.32588359  0.71501084  0.77284760
   0.13742538  0.76611601  0.54172378
   0.40536459  0.99033155  0.79131595
   0.46856399  0.86686647  0.62688583
   0.19331274  0.89571681  0.69806700
   0.29686261  0.67470901 -0.02699114
   0.03902125  0.64326009  0.90547714
   0.60161137  0.05025427  0.10816867
   0.83391844  0.18763935  0.24425697
   0.63503764  0.28965953  0.01638104
   0.91585006  0.43295647  0.36869386
   0.04286060  0.33454711  0.18262357
   0.78529106  0.42599481  0.16126143
   0.69127463  0.16601238  0.40207336
   0.44472110  0.15975235  0.43403140
   0.61667255  0.07432954  0.57359943
   0.84885901  0.20359438  0.80321161
   0.56752737  0.33711957  0.53704687
   0.86451406  0.45755872  0.86977774
   1.01681097  0.47955169  0.69690903
   0.73556478  0.40638193  0.69267157
   0.76321597  0.06051807  0.95335941
   0.49130262  0.10081015  0.95214932
   0.59413733  0.54230212  0.06697287
   0.86851529  0.67891636  0.27069533
   0.56397268  0.81157103  0.02396003
   0.83446123  0.95071836  0.33312133
   0.90598103  0.88866171  0.16493799
   0.67282335  0.83511963  0.20343351
   0.78727589  0.65043603  0.44309785
   0.56136006  0.57763364  0.37223708
   0.61001911  0.59222501  0.55547819
   0.80957487  0.70840600  0.79987842
   0.58535294  0.84197217  0.43666498
   0.92767881  0.94681906  0.83120846
   0.95057479  0.81807920  0.66765549
   0.72119069  0.95351536  0.72157674
   0.78724778  0.66321455  0.97478600
   0.52880958  0.60986562  0.88243538
   0.71005706  0.81614444  0.57869056
   0.50648797  0.85913198  0.38684178
   0.87939578  0.23167621  0.05953767
   0.97688539  0.37355417  0.34430672
   0.31255254  0.07260002  0.62712880
   0.22478143  0.74050186  0.75664211
   0.14652446  1.15169504  0.18677712
   0.26633543  1.14155533  0.04510686
   0.65480605  0.32734714  0.85924234
   0.92849804  0.47431938  0.67462820
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986054    0.007823   -0.204043
    -0.000000    9.730309    0.042777
    -0.000000    0.000000   14.023095
   Si   O    H 
    32    64    10
Direct configuration=  2421
   0.15313796  0.18171800 -0.02628075
   0.32422691  0.08696851  0.36860602
   0.13457771  0.41711635  0.10669006
   0.38798011  0.31769358  0.23434958
   0.06408126  0.14267172  0.49493674
   0.39953885  0.12503009  0.85805261
   0.11337585  0.39191106  0.62645654
   0.37301393  0.37840845  0.75257682
   0.14007067  0.68813440 -0.00036643
   0.39402582  0.57634158  0.35374720
   0.04965502  0.92458397  0.13346719
   0.31055800  0.82720562  0.24809723
   0.16941602  0.63167353  0.47925533
   0.35975985  0.62187457  0.87005477
   0.07468829  0.87183610  0.61476106
   0.34611685  0.94643171  0.68367943
   0.63197260  0.13254785  1.00530018
   0.82947878  0.11828194  0.34686907
   0.63132404  0.38975782  0.11036299
   0.88317162  0.28729753  0.15821705
   0.58753065  0.18219251  0.49057118
   0.87975224  0.08403244  0.88543684
   0.59066215  0.45268012  0.61747202
   0.77032039  0.35601105  0.80629298
   0.61816278  0.65849841 -0.01807479
   0.90728809  0.60105444  0.37177571
   0.56491052  0.88887766  0.12600695
   0.81257503  0.83346184  0.24912867
   0.63257062  0.67567761  0.45804666
   0.88059195  0.61818700  0.88696303
   0.62375649  0.92067390  0.62548891
   0.85089689  0.85893816  0.75572128
   0.08269163  0.08646707  0.14989325
   0.33427559  0.16481510  0.26826426
   0.10997850  0.34945624  0.00322091
   0.36519585  0.41641130  0.32110061
   0.54120534  0.32267486  0.19296507
   0.29037893  0.36068805  0.13828105
   0.20766086  0.10716333  0.44641832
  -0.03671708  0.15645123  0.39596290
   0.02399083  0.00934735  0.56234590
   0.45878034  0.24512997  0.79328171
   0.04900436  0.27269305  0.56423124
   0.31614764  0.46043432  0.84956682
   0.47933230  0.47179402  0.69572713
   0.24291739  0.34152496  0.69218336
   0.23527003  0.16596181 -0.12746703
   0.00680791  0.10376861  0.95688739
   0.11295509  0.58227636  0.09102856
   0.32780981  0.66660647  0.27442732
   0.08972208  0.83651352  0.03221277
   0.34423744  0.92526232  0.34348822
   0.41008641  0.86993902  0.16555452
   0.16598395  0.84788095  0.20096468
   0.31881527  0.64070968  0.44294248
   0.05726188  0.65325258  0.39272379
   0.16494626  0.48066395  0.53660258
   0.32527513  0.71618858  0.77205883
   0.13639830  0.76651301  0.54151705
   0.40447252  0.99047009  0.79213424
   0.46836180  0.86664371  0.62603475
   0.19366485  0.89694839  0.69838916
   0.29677438  0.67633777 -0.02670568
   0.04013327  0.64248644  0.90686094
   0.60412638  0.04944264  0.10837219
   0.83625639  0.18752526  0.24412618
   0.63448701  0.29118782  0.01649546
   0.91534847  0.43393723  0.36888687
   0.04387047  0.33321111  0.18166814
   0.78583863  0.42740261  0.16222713
   0.69253245  0.16507200  0.40150763
   0.44517068  0.15821188  0.43434000
   0.61747995  0.07425657  0.57356056
   0.85032878  0.20487156  0.80444134
   0.56826903  0.33733943  0.53663245
   0.86308548  0.45622883  0.87087415
   1.01801224  0.47996974  0.69616529
   0.73476388  0.40621678  0.69264826
   0.76251745  0.05967582  0.95242800
   0.49187006  0.09953222  0.95234434
   0.59455204  0.54274047  0.06581561
   0.86910783  0.67994192  0.27136714
   0.56287419  0.81054744  0.02444476
   0.83452024  0.95040902  0.33219230
   0.90562719  0.89015686  0.16416876
   0.67261863  0.83421883  0.20376171
   0.78898786  0.65120977  0.44289198
   0.56088401  0.57954237  0.37260051
   0.61125725  0.59287719  0.55595296
   0.80961261  0.70803424  0.79969592
   0.58342127  0.84248813  0.43802788
   0.92967763  0.94519784  0.83119420
   0.94957833  0.81727302  0.66842663
   0.72135760  0.95460303  0.72168945
   0.78592748  0.66329350  0.97398616
   0.52910763  0.61018014  0.88363440
   0.70898062  0.81741252  0.58002860
   0.50746596  0.86538675  0.38113058
   0.87730977  0.23694909  0.05970006
   0.98060707  0.36586826  0.34377151
   0.31538611  0.07344853  0.62746021
   0.22360828  0.73978626  0.75738673
   0.13706170  1.15193480  0.18262181
   0.26543121  1.14357138  0.04025926
   0.65550533  0.32630462  0.86087099
   0.92525598  0.46914052  0.67801732
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985474    0.004880   -0.202819
    -0.000000    9.730963    0.042320
    -0.000000    0.000000   14.021585
   Si   O    H 
    32    64    10
Direct configuration=  2422
   0.15437423  0.18074080 -0.02624946
   0.32383598  0.08667281  0.36940830
   0.13551233  0.41768339  0.10767336
   0.38817306  0.31797310  0.23416788
   0.06327742  0.14228110  0.49485389
   0.39980382  0.12468173  0.85794688
   0.11344835  0.39340934  0.62660019
   0.37170172  0.37798907  0.75231446
   0.13882046  0.68821964 -0.00023193
   0.39327583  0.57625762  0.35349225
   0.04918145  0.92301860  0.13342032
   0.31031979  0.82646643  0.24802408
   0.17042696  0.63145219  0.47931858
   0.36040293  0.62244345  0.87001453
   0.07384703  0.87291845  0.61435768
   0.34572368  0.94637480  0.68404531
   0.63148680  0.13267847  1.00574961
   0.82922244  0.11983529  0.34702961
   0.63146194  0.38998892  0.11028299
   0.88309393  0.28674323  0.15808525
   0.58762501  0.18261211  0.48987471
   0.88032787  0.08365818  0.88548224
   0.59094526  0.45285174  0.61750214
   0.77044365  0.35609301  0.80709033
   0.61944699  0.65949032 -0.01794664
   0.90560191  0.60097887  0.37304705
   0.56436781  0.88778120  0.12693357
   0.81343621  0.83313701  0.24979541
   0.63362366  0.67581369  0.45739248
   0.88006106  0.61693306  0.88569481
   0.62351646  0.92130638  0.62499458
   0.85120827  0.85903167  0.75555650
   0.08274105  0.08669308  0.15208006
   0.33651906  0.16549827  0.26827204
   0.10997110  0.34818535  0.00465789
   0.36703770  0.41542935  0.32144752
   0.54092873  0.32104484  0.19276852
   0.29135192  0.36049966  0.13791260
   0.20834902  0.10765017  0.44622639
  -0.03820511  0.15729683  0.39622413
   0.02574842  0.00940024  0.56124409
   0.45785421  0.24432889  0.79302528
   0.04941833  0.27077008  0.56447216
   0.31600378  0.46113952  0.84891051
   0.48212150  0.47164117  0.69552497
   0.24585216  0.34150606  0.69176966
   0.23421034  0.16778718 -0.12649178
   0.00757380  0.10343883  0.95744002
   0.11114601  0.58332969  0.09133474
   0.32834805  0.66813516  0.27335256
   0.09135269  0.83728164  0.03148675
   0.34189963  0.92385812  0.34410791
   0.41021412  0.87208622  0.16527745
   0.16689219  0.84859269  0.20051023
   0.31982192  0.64174827  0.44339289
   0.05589404  0.65192949  0.39272006
   0.16403522  0.48128242  0.53724616
   0.32467106  0.71740771  0.77112835
   0.13581301  0.76639587  0.54074968
   0.40308433  0.99081803  0.79213302
   0.46915235  0.86686685  0.62491872
   0.19322406  0.89824095  0.69844434
   0.29693158  0.67817412 -0.02669611
   0.04111529  0.64178206  0.90848635
   0.60757116  0.04925051  0.10816602
   0.83931406  0.18758732  0.24370651
   0.63390525  0.29404888  0.01636034
   0.91523300  0.43376243  0.36848904
   0.04453350  0.33174225  0.18110291
   0.78594491  0.42803559  0.16255741
   0.69390398  0.16501984  0.40054137
   0.44538104  0.15633128  0.43433298
   0.61880241  0.07393559  0.57358449
   0.85187765  0.20600110  0.80549535
   0.56962808  0.33695240  0.53648235
   0.86206931  0.45521411  0.87182256
   1.01867146  0.48009417  0.69544544
   0.73436518  0.40679336  0.69299336
   0.76011314  0.05971223  0.95240732
   0.49269576  0.09894037  0.95256260
   0.59379892  0.54304473  0.06422266
   0.86997029  0.68071781  0.27191512
   0.56186117  0.80928195  0.02435393
   0.83380381  0.94984752  0.33109773
   0.90487100  0.89103227  0.16242583
   0.67258085  0.83341151  0.20380664
   0.79095400  0.65151362  0.44182395
   0.55929451  0.58190621  0.37300731
   0.61184411  0.59361682  0.55665648
   0.81061823  0.70801237  0.80007064
   0.58127503  0.84293842  0.43956227
   0.93211971  0.94378123  0.83108231
   0.94803486  0.81592983  0.66953737
   0.72106324  0.95516267  0.72168991
   0.78430090  0.66332666  0.97342174
   0.52936195  0.61070050  0.88493511
   0.71071968  0.82010601  0.58055497
   0.51471757  0.87055138  0.38081949
   0.87465505  0.23813170  0.06061767
   0.98161103  0.36208825  0.34229636
   0.31835960  0.07756292  0.62854664
   0.23070805  0.73621535  0.75878364
   0.12749113  1.15011654  0.18156269
   0.26340248  1.14376030  0.03749900
   0.65229952  0.32532924  0.86457199
   0.91772774  0.46619061  0.68331715
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984743    0.001943   -0.201833
    -0.000000    9.731730    0.041861
    -0.000000    0.000000   14.020167
   Si   O    H 
    32    64    10
Direct configuration=  2423
   0.15514246  0.17977809 -0.02662266
   0.32321542  0.08650985  0.37043265
   0.13740418  0.41839249  0.10837129
   0.38890776  0.31777352  0.23361532
   0.06256536  0.14157365  0.49434130
   0.39897697  0.12457887  0.85774454
   0.11378220  0.39492568  0.62711544
   0.37079152  0.37755822  0.75235424
   0.13746450  0.68783260 -0.00003517
   0.39374906  0.57622619  0.35309739
   0.05011915  0.92189854  0.13308434
   0.30987257  0.82629629  0.24819341
   0.17060389  0.63148154  0.47959131
   0.36130450  0.62287920  0.86992508
   0.07264737  0.87374486  0.61370827
   0.34491869  0.94624355  0.68476303
   0.63051346  0.13163376  1.00596089
   0.82843735  0.12170069  0.34709325
   0.63162540  0.39028103  0.11044639
   0.88362953  0.28719702  0.15813821
   0.58718149  0.18284035  0.48922863
   0.88174814  0.08406276  0.88514145
   0.59166324  0.45388453  0.61749465
   0.77055861  0.35625627  0.80736573
   0.62010019  0.65971337 -0.01794616
   0.90404510  0.60113348  0.37389558
   0.56341840  0.88697699  0.12782542
   0.81463583  0.83266851  0.25085901
   0.63508474  0.67572384  0.45667498
   0.87956631  0.61567427  0.88426991
   0.62341694  0.92149964  0.62429958
   0.85097988  0.85906656  0.75525264
   0.08164814  0.08574678  0.15309708
   0.33980082  0.16650952  0.26839175
   0.11056144  0.34686169  0.00605134
   0.36858325  0.41447323  0.32243597
   0.54041507  0.32022877  0.19256778
   0.29239273  0.35987999  0.13785820
   0.20822339  0.10810062  0.44590212
  -0.03913698  0.15806808  0.39735857
   0.02689643  0.00944196  0.55992122
   0.45688413  0.24372559  0.79250020
   0.04974769  0.26915702  0.56461313
   0.31619786  0.46202124  0.84807051
   0.48354715  0.47165375  0.69502896
   0.24891618  0.34157775  0.69134354
   0.23320810  0.16934423 -0.12552849
   0.00932284  0.10386386  0.95854254
   0.10960162  0.58481265  0.09139463
   0.32800638  0.66885788  0.27174098
   0.09239879  0.83856971  0.03039888
   0.33942746  0.92250711  0.34490092
   0.40980679  0.87458129  0.16518155
   0.16706495  0.84862157  0.20020337
   0.32035437  0.64236746  0.44339549
   0.05504341  0.65035585  0.39222585
   0.16341646  0.48213087  0.53761839
   0.32446009  0.71871189  0.77097120
   0.13586708  0.76597611  0.54020620
   0.40181011  0.99143939  0.79247476
   0.46965329  0.86765921  0.62421420
   0.19198915  0.89948977  0.69805117
   0.29696303  0.67974122 -0.02721902
   0.04210258  0.64140808  0.90995144
   0.60987624  0.04932972  0.10774640
   0.84220186  0.18737250  0.24288250
   0.63334056  0.29634684  0.01603453
   0.91539484  0.43317339  0.36801171
   0.04438035  0.33057424  0.18033357
   0.78684257  0.42814403  0.16245273
   0.69477975  0.16502848  0.39958718
   0.44550369  0.15407716  0.43444182
   0.62029257  0.07410532  0.57341470
   0.85360729  0.20652000  0.80631757
   0.57073381  0.33682177  0.53657227
   0.86152928  0.45418655  0.87269623
   1.01918493  0.47945183  0.69521219
   0.73375185  0.40742498  0.69364677
   0.75606260  0.05907450  0.95239328
   0.49253836  0.09838257  0.95241775
   0.59269154  0.54317251  0.06279666
   0.87031983  0.68085621  0.27226389
   0.56048820  0.80779040  0.02369680
   0.83282182  0.94890006  0.32999543
   0.90317327  0.89142615  0.16109393
   0.67124802  0.83225983  0.20331669
   0.79298903  0.65219694  0.44078985
   0.55733812  0.58478932  0.37335893
   0.61264075  0.59489924  0.55682711
   0.81216504  0.70722748  0.79990984
   0.57920749  0.84366162  0.44085782
   0.93531158  0.94280990  0.83156171
   0.94657032  0.81402444  0.67043165
   0.72058903  0.95560109  0.72168359
   0.78288113  0.66476131  0.97311924
   0.52870374  0.61118674  0.88625909
   0.71066211  0.81912050  0.57962565
   0.52668083  0.87444239  0.38751151
   0.87087703  0.23627285  0.06394178
   0.97523663  0.36560592  0.34366346
   0.32310593  0.08288597  0.62900384
   0.23827293  0.73345024  0.76141539
   0.13206589  1.16194246  0.18975140
   0.26393057  1.14047617  0.03659198
   0.65230544  0.32775524  0.86604314
   0.91943025  0.46596907  0.68549523
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984007   -0.001175   -0.200546
    -0.000000    9.732390    0.040950
    -0.000000    0.000000   14.019067
   Si   O    H 
    32    64    10
Direct configuration=  2424
   0.15539299  0.17936270 -0.02722069
   0.32223152  0.08651096  0.37146256
   0.13891905  0.41915049  0.10806263
   0.38977723  0.31728980  0.23296732
   0.06114033  0.14088820  0.49366853
   0.39861926  0.12515048  0.85804621
   0.11382246  0.39603498  0.62786130
   0.37047849  0.37724169  0.75245257
   0.13577752  0.68776534  0.00022980
   0.39426171  0.57661381  0.35262401
   0.05179973  0.92098713  0.13312428
   0.31000742  0.82615361  0.24845297
   0.17077845  0.63145828  0.48018288
   0.36190467  0.62264706  0.86992282
   0.07192055  0.87471849  0.61349152
   0.34427829  0.94645402  0.68557986
   0.63035297  0.12996999  1.00631342
   0.82764317  0.12366993  0.34658537
   0.63202533  0.39047663  0.11052335
   0.88466939  0.28726094  0.15847069
   0.58667552  0.18299095  0.48879514
   0.88263897  0.08427251  0.88450111
   0.59339764  0.45486703  0.61732694
   0.76970840  0.35679209  0.80715893
   0.62085975  0.66032286 -0.01778386
   0.90271789  0.60109748  0.37457904
   0.56229902  0.88669104  0.12816155
   0.81574479  0.83218710  0.25210056
   0.63606540  0.67569451  0.45625505
   0.87919601  0.61458295  0.88313163
   0.62420639  0.92136690  0.62382041
   0.84997213  0.85869917  0.75461172
   0.08065717  0.08452747  0.15433848
   0.34236035  0.16817675  0.26822607
   0.11094013  0.34564266  0.00723502
   0.36974902  0.41328700  0.32382025
   0.53968522  0.31972837  0.19233607
   0.29392535  0.35980994  0.13801127
   0.20749278  0.10843285  0.44572641
  -0.03963114  0.15871236  0.39912271
   0.02831352  0.00990646  0.55817572
   0.45631396  0.24327495  0.79178886
   0.04966367  0.26744860  0.56470149
   0.31733626  0.46344042  0.84713864
   0.48391265  0.47064268  0.69504886
   0.25067092  0.34113587  0.69063876
   0.23283648  0.17043716 -0.12470885
   0.01139782  0.10488325  0.95921628
   0.10875769  0.58528123  0.09153322
   0.32725538  0.66994782  0.27010812
   0.09298871  0.84047603  0.02948667
   0.33706586  0.92079020  0.34561202
   0.41040268  0.87694931  0.16423004
   0.16677320  0.84887614  0.19988431
   0.32007042  0.64317377  0.44387337
   0.05406656  0.64889688  0.39198959
   0.16353553  0.48348281  0.53786618
   0.32569802  0.72045629  0.77113434
   0.13644508  0.76536150  0.53959434
   0.40096572  0.99205781  0.79287121
   0.46954357  0.86831223  0.62362507
   0.19068620  0.90029110  0.69802907
   0.29720697  0.68142444 -0.02830740
   0.04229723  0.64171252  0.91086082
   0.61237937  0.04980651  0.10774399
   0.84463202  0.18691953  0.24230755
   0.63309208  0.29862338  0.01519188
   0.91546938  0.43279361  0.36787425
   0.04430509  0.32923079  0.17888461
   0.78784814  0.42749823  0.16227124
   0.69527085  0.16492296  0.39864569
   0.44609461  0.15248215  0.43469959
   0.62216163  0.07405776  0.57310063
   0.85510463  0.20764750  0.80653151
   0.57184716  0.33668771  0.53670070
   0.86094609  0.45329636  0.87346996
   1.01917571  0.47946479  0.69505473
   0.73337916  0.40732532  0.69487711
   0.75328404  0.05885421  0.95195971
   0.49128190  0.09799068  0.95137007
   0.59169528  0.54300698  0.06132842
   0.87086559  0.68057611  0.27231618
   0.56013018  0.80625226  0.02303855
   0.83160069  0.94872194  0.32891637
   0.90058210  0.89162648  0.15951835
   0.66967079  0.83134183  0.20289632
   0.79444821  0.65346107  0.44016000
   0.55588625  0.58746773  0.37306961
   0.61300583  0.59590218  0.55703030
   0.81411465  0.70680122  0.79989643
   0.57790598  0.84371577  0.44236421
   0.93777320  0.94160756  0.83238035
   0.94622198  0.81223377  0.67126103
   0.72024356  0.95600944  0.72178816
   0.78178548  0.66525110  0.97269638
   0.52820090  0.61262784  0.88772214
   0.71035788  0.82036108  0.57984588
   0.53516231  0.87633520  0.39045212
   0.86603064  0.23306597  0.06108649
   0.97173171  0.37229632  0.34323394
   0.32690368  0.08365318  0.63061079
   0.21863728  0.73598974  0.76124384
   0.13022393  1.16421172  0.19397555
   0.26266307  1.13562164  0.04053984
   0.65547339  0.33171597  0.86723974
   0.92408357  0.46515272  0.68761901
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983400   -0.003964   -0.199294
    -0.000000    9.733111    0.040252
    -0.000000    0.000000   14.017771
   Si   O    H 
    32    64    10
Direct configuration=  2425
   0.15603127  0.17894881 -0.02758669
   0.32061541  0.08651557  0.37261737
   0.14057851  0.42009486  0.10752356
   0.39053179  0.31758845  0.23248137
   0.05994283  0.14049456  0.49264055
   0.39774467  0.12546763  0.85835749
   0.11444543  0.39673889  0.62857705
   0.37068241  0.37759297  0.75307637
   0.13377583  0.68813926  0.00048877
   0.39542690  0.57668194  0.35247490
   0.05356449  0.92038327  0.13281673
   0.30999933  0.82720274  0.24868298
   0.17110923  0.63184441  0.48078825
   0.36279014  0.62239064  0.86955554
   0.07129557  0.87500272  0.61338145
   0.34437293  0.94713550  0.68644812
   0.63051579  0.12852269  1.00630960
   0.82742229  0.12490697  0.34606365
   0.63282450  0.39156550  0.11054397
   0.88574791  0.28767618  0.15921186
   0.58602904  0.18283552  0.48813525
   0.88417131  0.08522364  0.88397319
   0.59563191  0.45609762  0.61712785
   0.76857709  0.35700497  0.80692018
   0.62152980  0.66082135 -0.01752378
   0.90163801  0.60138653  0.37480772
   0.56151250  0.88602988  0.12821550
   0.81715992  0.83171422  0.25287764
   0.63639834  0.67510463  0.45593037
   0.87833368  0.61427206  0.88202836
   0.62563635  0.92136792  0.62321651
   0.84919177  0.85870618  0.75407463
   0.07959011  0.08448161  0.15587857
   0.34422490  0.16793352  0.26849894
   0.11172504  0.34428869  0.00810503
   0.37036011  0.41245616  0.32516519
   0.53944140  0.31874228  0.19223711
   0.29531331  0.36030845  0.13829091
   0.20707798  0.10925044  0.44616816
  -0.03962414  0.15964749  0.40136493
   0.02915037  0.01031890  0.55650776
   0.45638700  0.24313577  0.79125304
   0.04864645  0.26635631  0.56514806
   0.31813309  0.46559073  0.84641510
   0.48383376  0.46929552  0.69511690
   0.25124512  0.34060524  0.68974273
   0.23245193  0.17161069 -0.12445135
   0.01312735  0.10648797  0.95935856
   0.10802046  0.58614154  0.09189058
   0.32710118  0.67110179  0.26837122
   0.09268510  0.84301202  0.02913994
   0.33435931  0.91972322  0.34625628
   0.41119946  0.87939717  0.16391615
   0.16606973  0.84874979  0.19986305
   0.31956700  0.64338575  0.44434793
   0.05382435  0.64815394  0.39226137
   0.16367831  0.48502776  0.53804632
   0.32588018  0.72262415  0.77209516
   0.13628875  0.76542750  0.53869857
   0.40049018  0.99186417  0.79336695
   0.46829228  0.86912973  0.62358386
   0.18851327  0.90108875  0.69820758
   0.29644049  0.68248228 -0.02921230
   0.04205800  0.64142952  0.91157443
   0.61532672  0.04946136  0.10817001
   0.84651610  0.18591311  0.24148571
   0.63334369  0.30032171  0.01444101
   0.91409046  0.43326684  0.36796239
   0.04391035  0.32810780  0.17738305
   0.78785153  0.42686286  0.16193249
   0.69657614  0.16512371  0.39855459
   0.44629354  0.15000013  0.43446082
   0.62471245  0.07419891  0.57314172
   0.85630588  0.20849987  0.80680108
   0.57341293  0.33717145  0.53691663
   0.86008638  0.45308481  0.87448983
   1.01917320  0.47901274  0.69501080
   0.73330778  0.40770927  0.69615259
   0.75073288  0.05885091  0.95102295
   0.48971147  0.09752648  0.95019078
   0.59097370  0.54246166  0.06025109
   0.87104548  0.68036601  0.27271238
   0.56004386  0.80509280  0.02223194
   0.83020531  0.95015307  0.32821888
   0.89829359  0.89135386  0.15810771
   0.66880358  0.82982256  0.20261201
   0.79477717  0.65509876  0.44019586
   0.55411378  0.58951856  0.37263788
   0.61327391  0.59732625  0.55714743
   0.81580216  0.70573563  0.79945867
   0.57741900  0.84217037  0.44471275
   0.93992230  0.94025494  0.83338563
   0.94669732  0.81038232  0.67181422
   0.72078560  0.95591810  0.72214751
   0.78132399  0.66532983  0.97181086
   0.52830447  0.61456410  0.88904627
   0.71210886  0.82171797  0.57978488
   0.53359759  0.88005667  0.38331121
   0.86327301  0.23044110  0.05952553
   0.98141651  0.36694199  0.33754964
   0.32817244  0.08425779  0.63270901
   0.21211559  0.73721824  0.76160639
   0.12443051  1.15179205  0.19225017
   0.25906843  1.12967124  0.04352244
   0.65721944  0.33336101  0.86791264
   0.92564981  0.46680268  0.68938168
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983129   -0.005982   -0.198697
    -0.000000    9.733941    0.040031
    -0.000000    0.000000   14.016745
   Si   O    H 
    32    64    10
Direct configuration=  2426
   0.15659245  0.17886196 -0.02752731
   0.31878750  0.08619111  0.37338089
   0.14118670  0.42002373  0.10712925
   0.39072281  0.31804571  0.23206668
   0.05959488  0.13967858  0.49205488
   0.39682376  0.12548483  0.85853636
   0.11584724  0.39739071  0.62913037
   0.37102728  0.37918157  0.75383091
   0.13217131  0.68947975  0.00086985
   0.39612146  0.57653564  0.35289103
   0.05558182  0.91959208  0.13273608
   0.31036547  0.82855471  0.24877611
   0.17085664  0.63209562  0.48115923
   0.36349209  0.62254967  0.86945089
   0.07098233  0.87496891  0.61323091
   0.34508213  0.94843363  0.68738097
   0.63095252  0.12764751  1.00640254
   0.82662911  0.12605691  0.34581754
   0.63351117  0.39278244  0.11028582
   0.88669085  0.28790491  0.15970075
   0.58566162  0.18269528  0.48761086
   0.88557264  0.08551768  0.88315536
   0.59788649  0.45702101  0.61714308
   0.76734793  0.35708475  0.80709883
   0.62209140  0.66173839 -0.01726148
   0.90122584  0.60105314  0.37462913
   0.56063423  0.88539112  0.12797949
   0.81860005  0.83199681  0.25324162
   0.63632309  0.67505559  0.45514353
   0.87731732  0.61430717  0.88164952
   0.62736222  0.92157918  0.62276268
   0.84824120  0.85895079  0.75355139
   0.07804319  0.08436738  0.15723909
   0.34610153  0.16682121  0.26910427
   0.11259680  0.34212806  0.00904157
   0.37082345  0.41180592  0.32666688
   0.53899730  0.31823145  0.19206686
   0.29632201  0.36066723  0.13840340
   0.20607366  0.11013043  0.44658360
  -0.03906740  0.16100001  0.40362034
   0.02902433  0.01015553  0.55503653
   0.45614575  0.24364647  0.79069596
   0.04763644  0.26652025  0.56613611
   0.31927201  0.46727389  0.84572231
   0.48318657  0.46804125  0.69567315
   0.25112424  0.34009834  0.68786808
   0.23319445  0.17234754 -0.12443829
   0.01478973  0.10714659  0.95897051
   0.10781371  0.58691232  0.09214526
   0.32754622  0.67178294  0.26672160
   0.09230468  0.84725691  0.02878960
   0.33146613  0.91897527  0.34627656
   0.41214826  0.88150149  0.16389139
   0.16501759  0.84739400  0.20015109
   0.31914202  0.64272762  0.44501553
   0.05412445  0.64716647  0.39308079
   0.16372050  0.48608560  0.53885750
   0.32592267  0.72397035  0.77286922
   0.13584764  0.76636184  0.53861755
   0.39896196  0.99155070  0.79307152
   0.46658894  0.87014926  0.62375778
   0.18568157  0.90158276  0.69841187
   0.29491225  0.68375574 -0.03003758
   0.04120415  0.64104413  0.91133759
   0.61822007  0.04883924  0.10838791
   0.84793977  0.18391430  0.24085157
   0.63382182  0.30081079  0.01397488
   0.91223403  0.43280701  0.36732551
   0.04361104  0.32706384  0.17636670
   0.78726859  0.42568057  0.16151928
   0.69699138  0.16546331  0.39925105
   0.44576832  0.14713344  0.43359836
   0.62703125  0.07444042  0.57381230
   0.85717354  0.20942688  0.80753137
   0.57429105  0.33749987  0.53669527
   0.86024621  0.45232595  0.87536693
   1.01964370  0.47911922  0.69520974
   0.73244677  0.40870696  0.69706856
   0.74909134  0.05840631  0.95060762
   0.48883480  0.09715355  0.94969046
   0.58984722  0.54173704  0.05997208
   0.87172057  0.67975092  0.27311010
   0.55957773  0.80445048  0.02152798
   0.82863505  0.95221610  0.32786115
   0.89609694  0.89137054  0.15740827
   0.66842060  0.82817295  0.20256215
   0.79386934  0.65678841  0.44078696
   0.55305676  0.59201683  0.37236807
   0.61312056  0.59905106  0.55666790
   0.81724242  0.70562299  0.79952823
   0.57746951  0.84019354  0.44653424
   0.94130194  0.93992764  0.83440462
   0.94747657  0.80859241  0.67251767
   0.72130597  0.95597235  0.72286685
   0.78122531  0.66558814  0.97096060
   0.52887823  0.61646389  0.89020610
   0.71112268  0.82247201  0.57831128
   0.53215682  0.87956813  0.38065911
   0.86044811  0.22785968  0.06353297
   0.98372614  0.36890295  0.33448009
   0.32580035  0.07797305  0.63551266
   0.22194913  0.74238488  0.76443837
   0.12260746  1.14010340  0.19240143
   0.25506818  1.12077453  0.04668483
   0.65307479  0.33425981  0.86890035
   0.91617120  0.47015308  0.68961199
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982924   -0.007256   -0.197564
    -0.000000    9.735105    0.039854
    -0.000000    0.000000   14.015929
   Si   O    H 
    32    64    10
Direct configuration=  2427
   0.15679628  0.17896289 -0.02731952
   0.31745418  0.08576218  0.37427121
   0.14258661  0.42023250  0.10681356
   0.39025263  0.31874065  0.23122586
   0.05952236  0.13948614  0.49175663
   0.39564997  0.12495968  0.85856796
   0.11717331  0.39799357  0.62959865
   0.37200472  0.38030934  0.75458202
   0.13064275  0.69008462  0.00114472
   0.39709622  0.57635809  0.35318919
   0.05766878  0.91958950  0.13294650
   0.31125409  0.83004535  0.24883659
   0.16968271  0.63218861  0.48176401
   0.36479896  0.62305327  0.86952114
   0.07069818  0.87514086  0.61286013
   0.34636527  0.94945987  0.68814878
   0.63059991  0.12701877  1.00698283
   0.82623978  0.12692273  0.34526493
   0.63425048  0.39427560  0.10996677
   0.88698605  0.28837945  0.15999840
   0.58533456  0.18241070  0.48707224
   0.88683524  0.08528973  0.88218812
   0.60026755  0.45689311  0.61727164
   0.76574838  0.35694196  0.80711599
   0.62269391  0.66250026 -0.01666577
   0.90091748  0.60113093  0.37415234
   0.56034957  0.88500815  0.12746578
   0.81921808  0.83255912  0.25374470
   0.63600851  0.67543194  0.45440321
   0.87673599  0.61493053  0.88167167
   0.62919477  0.92235830  0.62283404
   0.84733118  0.85849066  0.75320823
   0.07552980  0.08369480  0.15740349
   0.34739859  0.16555378  0.26943117
   0.11322620  0.34004143  0.00908134
   0.37167063  0.41215007  0.32841160
   0.53851598  0.31837894  0.19245624
   0.29706894  0.36126507  0.13902408
   0.20415147  0.11120061  0.44690066
  -0.03828262  0.16299272  0.40577209
   0.02884686  0.00972414  0.55321360
   0.45534447  0.24402663  0.79086179
   0.04657899  0.26701047  0.56701238
   0.32026607  0.46843630  0.84547889
   0.48285227  0.46667556  0.69599291
   0.24995220  0.33983243  0.68609438
   0.23484022  0.17178297 -0.12466040
   0.01564141  0.10729769  0.95852214
   0.10759592  0.58734086  0.09239855
   0.32781858  0.67236450  0.26550809
   0.09204625  0.85088568  0.02861089
   0.32905291  0.91919837  0.34641684
   0.41324967  0.88328252  0.16380945
   0.16406412  0.84604138  0.20174336
   0.31926038  0.64206924  0.44529769
   0.05437232  0.64626654  0.39432272
   0.16284732  0.48767777  0.53940855
   0.32577894  0.72549100  0.77371029
   0.13541176  0.76746561  0.53883746
   0.39857957  0.99103459  0.79276326
   0.46480669  0.87026149  0.62411076
   0.18329667  0.90168536  0.69804893
   0.29357934  0.68480637 -0.03121194
   0.03958729  0.64077073  0.91146063
   0.62060319  0.04838785  0.10864761
   0.84897580  0.18127973  0.24023505
   0.63356384  0.30081724  0.01351615
   0.91056830  0.43327412  0.36617728
   0.04311201  0.32646350  0.17636607
   0.78661537  0.42531659  0.16076187
   0.69673177  0.16590153  0.40028884
   0.44597578  0.14439285  0.43299294
   0.62954985  0.07524848  0.57473950
   0.85766882  0.21010577  0.80826440
   0.57429952  0.33711737  0.53651068
   0.86089092  0.45224202  0.87576918
   1.01979966  0.48000805  0.69580056
   0.73168649  0.40963665  0.69755907
   0.74761393  0.05866360  0.94996390
   0.48776232  0.09709068  0.94958293
   0.58959329  0.54072932  0.06016509
   0.87174976  0.67842374  0.27359346
   0.55886486  0.80467380  0.02097036
   0.82840830  0.95412246  0.32851432
   0.89517102  0.89162171  0.15685645
   0.66747899  0.82586362  0.20283496
   0.79269490  0.65882870  0.44182721
   0.55181169  0.59429733  0.37181240
   0.61316960  0.60009776  0.55653991
   0.81904183  0.70588028  0.79905641
   0.57703685  0.83884652  0.44740181
   0.94314864  0.93913764  0.83519551
   0.94794518  0.80683923  0.67299158
   0.72173882  0.95553225  0.72336693
   0.78161709  0.66646246  0.97003428
   0.52913731  0.61894709  0.89112625
   0.70772038  0.82167565  0.57487014
   0.53618362  0.87122677  0.38611884
   0.85928924  0.22332400  0.06633960
   0.97880605  0.37814084  0.33597132
   0.32425297  0.07220891  0.63609079
   0.23894562  0.74597509  0.77020841
   0.13649366  1.14827103  0.20423267
   0.25261516  1.11228393  0.04744755
   0.64957090  0.33666885  0.86833531
   0.91566357  0.47496993  0.68851688
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982810   -0.009188   -0.195774
    -0.000000    9.736281    0.040087
    -0.000000    0.000000   14.014910
   Si   O    H 
    32    64    10
Direct configuration=  2428
   0.15722923  0.17917340 -0.02682218
   0.31654348  0.08523023  0.37502141
   0.14393143  0.42011542  0.10638533
   0.38967072  0.31931459  0.23077539
   0.05927160  0.13929054  0.49137805
   0.39381687  0.12503451  0.85877893
   0.11870423  0.39860197  0.62966909
   0.37284118  0.38051943  0.75550582
   0.12958748  0.69114508  0.00156184
   0.39808463  0.57622597  0.35335263
   0.05899149  0.91975306  0.13302415
   0.31169975  0.83114454  0.24894798
   0.16863020  0.63265556  0.48216522
   0.36629791  0.62344010  0.86989754
   0.07044799  0.87512008  0.61251161
   0.34763158  0.95011466  0.68879404
   0.62965498  0.12694335  1.00763839
   0.82581821  0.12722942  0.34465625
   0.63510922  0.39567608  0.10966816
   0.88670215  0.28936417  0.16031085
   0.58420931  0.18203117  0.48691432
   0.88818985  0.08403375  0.88184783
   0.60247362  0.45684802  0.61701868
   0.76372378  0.35681099  0.80741104
   0.62288891  0.66311186 -0.01606169
   0.90085619  0.60080905  0.37361732
   0.56072040  0.88422953  0.12638961
   0.81928495  0.83314579  0.25379562
   0.63552824  0.67534214  0.45319756
   0.87634929  0.61542050  0.88214990
   0.63010910  0.92284711  0.62292384
   0.84681689  0.85810756  0.75282389
   0.07389077  0.08280695  0.15863210
   0.34797453  0.16400992  0.26958372
   0.11356687  0.33741962  0.00780614
   0.37226393  0.41319733  0.32997708
   0.53900609  0.31862315  0.19268315
   0.29765708  0.36222905  0.13973035
   0.20241533  0.11293379  0.44712563
  -0.03720294  0.16507750  0.40694545
   0.02899508  0.00866324  0.55142120
   0.45438904  0.24588118  0.79086345
   0.04584316  0.26799615  0.56826000
   0.32076736  0.46965406  0.84591350
   0.48258733  0.46544470  0.69641227
   0.24790870  0.33945436  0.68498470
   0.23592946  0.17011946 -0.12500620
   0.01574239  0.10660773  0.95824911
   0.10787315  0.58650969  0.09311492
   0.32850926  0.67113766  0.26480882
   0.09210413  0.85384650  0.02839602
   0.32632973  0.91970533  0.34613540
   0.41306976  0.88432526  0.16404738
   0.16346513  0.84404309  0.20367954
   0.31966395  0.64093090  0.44552411
   0.05511345  0.64541111  0.39600967
   0.16204394  0.48869819  0.54019801
   0.32692924  0.72640046  0.77472762
   0.13509973  0.76824539  0.53875195
   0.39791142  0.99056728  0.79266731
   0.46321179  0.87063004  0.62468163
   0.18095416  0.90119553  0.69748423
   0.29220541  0.68570591 -0.03273174
   0.03734833  0.64074584  0.91156786
   0.62241241  0.04777156  0.10870621
   0.85027281  0.17833011  0.24020067
   0.63328787  0.30002268  0.01308423
   0.90899800  0.43440215  0.36490256
   0.04280355  0.32727423  0.17629051
   0.78534813  0.42497781  0.15997275
   0.69578675  0.16677875  0.40133125
   0.44594201  0.14187768  0.43182928
   0.63154610  0.07605791  0.57512717
   0.85789076  0.21102341  0.80836393
   0.57542168  0.33678936  0.53560943
   0.86054339  0.45188110  0.87592072
   1.01901580  0.48094594  0.69679670
   0.73110401  0.41108975  0.69755279
   0.74764583  0.05931058  0.94857510
   0.48626454  0.09757571  0.94997977
   0.58937279  0.53949716  0.06122522
   0.87128332  0.67731037  0.27384179
   0.55775502  0.80551886  0.02069573
   0.82803438  0.95551322  0.32906267
   0.89497396  0.89234064  0.15600644
   0.66577225  0.82442884  0.20348539
   0.79219949  0.65958656  0.44307712
   0.55142916  0.59624229  0.37098269
   0.61418885  0.60088239  0.55626205
   0.82034326  0.70561109  0.79802227
   0.57697888  0.83706673  0.44743864
   0.94426513  0.93891309  0.83598166
   0.94917322  0.80509869  0.67368149
   0.72140404  0.95474526  0.72346195
   0.78188457  0.66733230  0.96973158
   0.52839873  0.62190691  0.89212365
   0.70468935  0.81860482  0.57139016
   0.53770258  0.86238020  0.39315729
   0.85801226  0.21982478  0.07057808
   0.97583260  0.38877781  0.33894957
   0.32588438  0.07158617  0.63307321
   0.22995893  0.75525386  0.77466953
   0.14790434  1.14245317  0.20761084
   0.24488355  1.10809175  0.04542629
   0.64590022  0.34019649  0.86601969
   0.92286014  0.47830420  0.68767984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982602   -0.011376   -0.194378
    -0.000000    9.736735    0.040472
    -0.000000    0.000000   14.013611
   Si   O    H 
    32    64    10
Direct configuration=  2429
   0.15750657  0.17949479 -0.02608144
   0.31539256  0.08468440  0.37544154
   0.14543591  0.41997937  0.10619146
   0.38885732  0.31958526  0.23069359
   0.05909245  0.13971660  0.49077260
   0.39147004  0.12458696  0.85914173
   0.12011134  0.39843229  0.62966273
   0.37376829  0.38049101  0.75659038
   0.12841219  0.69224278  0.00195816
   0.39868717  0.57554012  0.35360179
   0.05971872  0.91945835  0.13306201
   0.31201660  0.83205140  0.24902647
   0.16783714  0.63334037  0.48254871
   0.36745567  0.62473295  0.87050744
   0.07049444  0.87521984  0.61224353
   0.34825761  0.95066360  0.68938717
   0.62903037  0.12648116  1.00812243
   0.82577588  0.12744958  0.34424472
   0.63609141  0.39802440  0.10913738
   0.88582089  0.28939755  0.16044143
   0.58314723  0.18162859  0.48673084
   0.88923055  0.08268561  0.88164178
   0.60378773  0.45643241  0.61692721
   0.76221100  0.35681104  0.80743868
   0.62335419  0.66315196 -0.01534720
   0.90036096  0.60065169  0.37261397
   0.56166277  0.88360672  0.12527894
   0.81920509  0.83342265  0.25337457
   0.63454178  0.67532212  0.45249357
   0.87698790  0.61584841  0.88258926
   0.63045585  0.92288953  0.62274081
   0.84734213  0.85821127  0.75248611
   0.07260407  0.08261146  0.16055609
   0.34847794  0.16297055  0.26912191
   0.11405243  0.33455139  0.00692533
   0.37233055  0.41434718  0.33085731
   0.54041451  0.31848761  0.19242141
   0.29809806  0.36328393  0.14011833
   0.20092545  0.11589113  0.44787527
  -0.03694144  0.16698880  0.40728244
   0.02819637  0.00713209  0.55007798
   0.45362679  0.24763948  0.79068866
   0.04617642  0.26929088  0.56966936
   0.32221523  0.47078811  0.84637360
   0.48173315  0.46425909  0.69652484
   0.24628102  0.33913715  0.68400093
   0.23677998  0.16862970 -0.12565372
   0.01488145  0.10600135  0.95782455
   0.10775216  0.58626069  0.09318006
   0.32954471  0.66929726  0.26472415
   0.09204058  0.85525640  0.02816144
   0.32416794  0.91982783  0.34564602
   0.41315870  0.88514028  0.16446116
   0.16324018  0.84179831  0.20492142
   0.31890878  0.63950198  0.44526245
   0.05546077  0.64463230  0.39758570
   0.16077096  0.48977850  0.54118712
   0.32901699  0.72627918  0.77554740
   0.13444376  0.76967461  0.53867771
   0.39788142  0.98929357  0.79322507
   0.46188279  0.87135196  0.62521776
   0.18024598  0.90143521  0.69677294
   0.29056874  0.68712389 -0.03424046
   0.03479961  0.64029746  0.91142689
   0.62367921  0.04722904  0.10877299
   0.85179279  0.17621567  0.23983033
   0.63281886  0.29910970  0.01268909
   0.90648683  0.43651237  0.36465102
   0.04171795  0.32876586  0.17650586
   0.78370295  0.42423978  0.15921475
   0.69467546  0.16794379  0.40274139
   0.44529948  0.13924442  0.43161465
   0.63287062  0.07674555  0.57510420
   0.85756548  0.21148571  0.80852003
   0.57624454  0.33595917  0.53407586
   0.86039333  0.45262610  0.87565685
   1.01791574  0.48129020  0.69801578
   0.73117594  0.41248298  0.69725785
   0.74874957  0.05977504  0.94695498
   0.48598702  0.09775460  0.95073364
   0.58947094  0.53904667  0.06274502
   0.87027658  0.67682115  0.27402501
   0.55725366  0.80631234  0.02085019
   0.82729727  0.95663559  0.32973537
   0.89572688  0.89329538  0.15513358
   0.66429487  0.82227331  0.20385026
   0.79228264  0.65965255  0.44409599
   0.55135616  0.59856810  0.36994095
   0.61503960  0.60100184  0.55569530
   0.82072387  0.70582357  0.79678135
   0.57788882  0.83435847  0.44819406
   0.94577535  0.93853113  0.83631711
   0.94990472  0.80307988  0.67400010
   0.72085064  0.95362143  0.72372572
   0.78241341  0.66821784  0.96958051
   0.52733220  0.62467337  0.89297039
   0.70606121  0.81571164  0.57043154
   0.52931315  0.86044236  0.38468295
   0.85721220  0.21777096  0.07292248
   0.98677373  0.39091835  0.33544998
   0.32970504  0.07018165  0.62800669
   0.22406367  0.76305852  0.77697300
   0.14959605  1.12861081  0.20264719
   0.23878662  1.10763069  0.04228569
   0.63821805  0.34600887  0.86222998
   0.92821312  0.48405705  0.68735857
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982495   -0.013568   -0.191947
    -0.000000    9.736984    0.040624
    -0.000000    0.000000   14.012257
   Si   O    H 
    32    64    10
Direct configuration=  2430
   0.15774952  0.17980875 -0.02541069
   0.31458461  0.08390158  0.37567959
   0.14680467  0.41918148  0.10545528
   0.38874568  0.31979691  0.23093282
   0.05854844  0.14010369  0.49081928
   0.38946234  0.12433024  0.85916547
   0.12137642  0.39722180  0.62962454
   0.37391308  0.38082409  0.75740727
   0.12735877  0.69408590  0.00164005
   0.39878368  0.57436707  0.35385066
   0.06062553  0.91879803  0.13310803
   0.31242683  0.83297798  0.24881948
   0.16768340  0.63335049  0.48316079
   0.36934654  0.62592930  0.87112734
   0.07043600  0.87464977  0.61209233
   0.34858242  0.95135025  0.68997113
   0.62868816  0.12600204  1.00866987
   0.82565809  0.12737077  0.34432322
   0.63689989  0.40033180  0.10921157
   0.88494920  0.28960071  0.16089473
   0.58232703  0.18125149  0.48644479
   0.89039884  0.08205728  0.88121886
   0.60454840  0.45545890  0.61672131
   0.76053217  0.35687556  0.80777642
   0.62299627  0.66350751 -0.01453101
   0.90015484  0.60037669  0.37214433
   0.56239865  0.88355643  0.12437801
   0.81879184  0.83358907  0.25255537
   0.63357569  0.67514490  0.45209498
   0.87771207  0.61574512  0.88323855
   0.63074564  0.92237058  0.62261636
   0.84817013  0.85817138  0.75226756
   0.07223487  0.08308690  0.16247290
   0.34830467  0.16218594  0.26843504
   0.11431298  0.33279108  0.00569232
   0.37182539  0.41526374  0.33049403
   0.54226832  0.31860310  0.19168009
   0.29810329  0.36524305  0.14051447
   0.19951587  0.11879148  0.44813033
  -0.03723319  0.16937264  0.40704232
   0.02706141  0.00514457  0.54911816
   0.45257073  0.24879126  0.79069002
   0.04643852  0.26990092  0.57096998
   0.32370025  0.47201637  0.84593171
   0.48092632  0.46369517  0.69636208
   0.24514049  0.33880425  0.68389696
   0.23742251  0.16747949 -0.12658403
   0.01334071  0.10454127  0.95689024
   0.10875197  0.58581007  0.09368860
   0.33097408  0.66744712  0.26446703
   0.09236130  0.85654670  0.02789549
   0.32195015  0.92061214  0.34645898
   0.41348954  0.88413761  0.16551178
   0.16314335  0.84000316  0.20601579
   0.31797922  0.63839466  0.44421570
   0.05561328  0.64317167  0.39910332
   0.16003952  0.49081742  0.54182064
   0.33000523  0.72611998  0.77629126
   0.13461513  0.77108842  0.53889562
   0.39818514  0.98819334  0.79395165
   0.46188466  0.87196054  0.62643150
   0.18037540  0.90180063  0.69578594
   0.28919363  0.68819512 -0.03518361
   0.03170752  0.64026768  0.91127396
   0.62530251  0.04660960  0.10919502
   0.85310208  0.17478966  0.23972945
   0.63223832  0.29812819  0.01246582
   0.90427749  0.43746948  0.36425533
   0.04024583  0.33087680  0.17675199
   0.78208809  0.42354288  0.15894097
   0.69405471  0.16837429  0.40401239
   0.44460163  0.13617045  0.43168858
   0.63424981  0.07728826  0.57432314
   0.85690798  0.21236279  0.80927887
   0.57658901  0.33547417  0.53338033
   0.86026004  0.45252434  0.87602693
   1.01792410  0.48162384  0.69896254
   0.73115905  0.41376157  0.69697870
   0.74908234  0.05937895  0.94549929
   0.48542383  0.09811026  0.95161957
   0.59044649  0.53822914  0.06432957
   0.86914351  0.67619480  0.27385818
   0.55665864  0.80662868  0.02065784
   0.82675529  0.95857742  0.33058746
   0.89624286  0.89435152  0.15384281
   0.66379413  0.82021893  0.20435611
   0.79288199  0.65978916  0.44597472
   0.55197029  0.60034979  0.36874330
   0.61605355  0.60057832  0.55551387
   0.82104658  0.70673043  0.79540907
   0.57804219  0.83230675  0.44910659
   0.94704095  0.93829317  0.83718497
   0.94982985  0.80193177  0.67402711
   0.71945442  0.95245163  0.72399734
   0.78249258  0.66856635  0.96918799
   0.52723475  0.62804738  0.89361618
   0.70696865  0.81758534  0.57492448
   0.52555567  0.85749438  0.38260117
   0.85774828  0.21515072  0.07299543
   0.99326546  0.39477059  0.33703640
   0.33370295  0.07292876  0.62354539
   0.23513626  0.76650112  0.77847838
   0.14860775  1.11107921  0.19304667
   0.23727259  1.10492272  0.03933578
   0.63266333  0.35302778  0.85625025
   0.91477739  0.49158501  0.68589444
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982569   -0.015638   -0.188887
    -0.000000    9.736605    0.040815
    -0.000000    0.000000   14.011176
   Si   O    H 
    32    64    10
Direct configuration=  2431
   0.15800431  0.18014711 -0.02481481
   0.31437689  0.08365428  0.37575647
   0.14756125  0.41849111  0.10495202
   0.38862476  0.31973429  0.23119262
   0.05836129  0.14012517  0.49111869
   0.38897826  0.12470324  0.85909286
   0.12214582  0.39561449  0.62966129
   0.37454351  0.38114681  0.75823867
   0.12706585  0.69605155  0.00102665
   0.39794211  0.57346412  0.35422699
   0.06076927  0.91747513  0.13321841
   0.31295040  0.83438581  0.24842723
   0.16720399  0.63251563  0.48364791
   0.37158715  0.62716462  0.87190507
   0.07009458  0.87398851  0.61203779
   0.34901071  0.95211668  0.69043227
   0.62861908  0.12597686  1.00886718
   0.82569666  0.12636366  0.34450119
   0.63709611  0.40232990  0.10856522
   0.88421849  0.29018122  0.16187420
   0.58206658  0.18054872  0.48620690
   0.89152442  0.08151036  0.88135547
   0.60544378  0.45507853  0.61662805
   0.75879816  0.35618848  0.80837532
   0.62242656  0.66354141 -0.01387535
   0.90025210  0.59985937  0.37227185
   0.56355342  0.88374322  0.12375128
   0.81887030  0.83374793  0.25134558
   0.63299112  0.67492502  0.45200775
   0.87866905  0.61565142  0.88381038
   0.63044865  0.92222604  0.62273016
   0.84855126  0.85850710  0.75220554
   0.07173122  0.08236701  0.16362572
   0.34753101  0.16100942  0.26771779
   0.11387140  0.33183441  0.00498256
   0.37182648  0.41524786  0.33009256
   0.54367669  0.31912524  0.19022960
   0.29806217  0.36720305  0.14067087
   0.19887877  0.12149861  0.44846142
  -0.03857468  0.17142350  0.40621637
   0.02661738  0.00248006  0.54846239
   0.45161933  0.24900278  0.79088671
   0.04704049  0.26996681  0.57262254
   0.32501673  0.47250615  0.84573689
   0.48063720  0.46312967  0.69612493
   0.24463048  0.33808588  0.68372480
   0.23849847  0.16669686 -0.12717282
   0.01162363  0.10333264  0.95599890
   0.10973661  0.58524962  0.09398318
   0.33237829  0.66589461  0.26442168
   0.09369303  0.85726788  0.02796378
   0.32012545  0.92177307  0.34728934
   0.41422508  0.88249546  0.16655592
   0.16276233  0.83758724  0.20725400
   0.31677455  0.63816866  0.44384075
   0.05573493  0.64174651  0.40072508
   0.15981544  0.49231045  0.54261954
   0.33061447  0.72563752  0.77718872
   0.13500876  0.77169469  0.53927663
   0.39869966  0.98757206  0.79488353
   0.46230321  0.87245386  0.62766629
   0.18090732  0.90276512  0.69523082
   0.28832314  0.68928046 -0.03653491
   0.02968757  0.63965191  0.91147092
   0.62643642  0.04466508  0.10954154
   0.85406718  0.17329730  0.23963281
   0.63260040  0.29678576  0.01241915
   0.90374922  0.43822305  0.36432146
   0.03889747  0.33354340  0.17693762
   0.78047945  0.42273484  0.15916696
   0.69365393  0.16934420  0.40505508
   0.44472362  0.13311811  0.43264555
   0.63530326  0.07674832  0.57300534
   0.85576543  0.21250234  0.80993175
   0.57774979  0.33542821  0.53343741
   0.86014249  0.45215225  0.87600597
   1.01712059  0.48149706  0.70017887
   0.73130447  0.41525785  0.69672292
   0.75037901  0.05841038  0.94383449
   0.48558778  0.09936917  0.95290552
   0.59072452  0.53812657  0.06600700
   0.86858421  0.67533155  0.27305951
   0.55643795  0.80754115  0.02011165
   0.82568170  0.95969478  0.33205749
   0.89702625  0.89511781  0.15261577
   0.66291894  0.81753283  0.20524012
   0.79460811  0.66034232  0.44772122
   0.55272847  0.60303548  0.36738920
   0.61647087  0.59874220  0.55559933
   0.82117724  0.70727338  0.79404060
   0.57723742  0.83027006  0.44993964
   0.94810903  0.93834007  0.83768535
   0.95007349  0.80194051  0.67354545
   0.71882295  0.95098880  0.72445893
   0.78178453  0.66868153  0.96903807
   0.52773390  0.63104401  0.89397802
   0.70730046  0.82121183  0.57942073
   0.52871223  0.85241143  0.38749615
   0.85906994  0.21313399  0.07036827
   0.98849294  0.40436691  0.34139920
   0.34082346  0.07786528  0.62544490
   0.25187742  0.76833210  0.77917053
   0.16045584  1.09880795  0.18750312
   0.24277040  1.09527089  0.04030940
   0.62897732  0.36166191  0.85035349
   0.91610669  0.49588728  0.68475043
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982467   -0.017814   -0.185785
    -0.000000    9.735508    0.040235
    -0.000000    0.000000   14.010004
   Si   O    H 
    32    64    10
Direct configuration=  2432
   0.15830289  0.17948360 -0.02442025
   0.31426527  0.08375700  0.37539773
   0.14762823  0.41763204  0.10430551
   0.38877711  0.31977505  0.23153718
   0.05847782  0.14121868  0.49164863
   0.38961213  0.12495230  0.85907132
   0.12224089  0.39382565  0.62957675
   0.37438086  0.38200992  0.75900505
   0.12640986  0.69804434  0.00019765
   0.39728163  0.57298129  0.35432428
   0.06095500  0.91669840  0.13289930
   0.31281744  0.83530304  0.24793974
   0.16680921  0.63156050  0.48467302
   0.37323043  0.62937391  0.87238346
   0.06955093  0.87301512  0.61234395
   0.34864178  0.95359273  0.69020514
   0.62804428  0.12579777  1.00881869
   0.82581553  0.12582502  0.34487186
   0.63754253  0.40371491  0.10805258
   0.88352494  0.29045114  0.16305401
   0.58186349  0.17982809  0.48587052
   0.89203934  0.08054233  0.88191470
   0.60624523  0.45427299  0.61683940
   0.75698763  0.35516156  0.80899345
   0.62212728  0.66325187 -0.01328956
   0.90119504  0.59940837  0.37264808
   0.56478365  0.88367483  0.12347421
   0.81932721  0.83416650  0.25027564
   0.63279182  0.67519057  0.45232792
   0.87945983  0.61555234  0.88447337
   0.62952642  0.92203107  0.62285073
   0.84988740  0.85837505  0.75214487
   0.07142414  0.08057455  0.16463378
   0.34630645  0.16036282  0.26677561
   0.11403848  0.33191342  0.00471195
   0.37202834  0.41475326  0.32945018
   0.54453998  0.32005565  0.18817653
   0.29775257  0.36875320  0.14096650
   0.19875341  0.12341233  0.44861709
  -0.04060725  0.17384628  0.40485199
   0.02669697  0.00045578  0.54893263
   0.45115092  0.24838848  0.79144241
   0.04801835  0.26879814  0.57300157
   0.32665815  0.47330079  0.84540572
   0.48024425  0.46242436  0.69514277
   0.24561375  0.33751370  0.68415497
   0.23841595  0.16543079 -0.12728453
   0.01113031  0.10276150  0.95498247
   0.11139883  0.58405904  0.09421300
   0.33412473  0.66389321  0.26415296
   0.09531627  0.85712290  0.02863148
   0.31783581  0.92242495  0.34809646
   0.41449172  0.88087781  0.16802009
   0.16205593  0.83568019  0.20836455
   0.31603860  0.63889170  0.44331363
   0.05597821  0.64010087  0.40143828
   0.15991562  0.49370537  0.54283276
   0.33228906  0.72399675  0.77750943
   0.13607267  0.77204855  0.54016581
   0.39923937  0.98723390  0.79607461
   0.46341846  0.87257224  0.62877847
   0.18158407  0.90386938  0.69455295
   0.28798629  0.69014614 -0.03770825
   0.02850101  0.63933577  0.91188714
   0.62687933  0.04282775  0.10964369
   0.85458916  0.17238101  0.23914607
   0.63374160  0.29487428  0.01337855
   0.90329565  0.43869848  0.36491571
   0.03871652  0.33693840  0.17722590
   0.77978626  0.42169508  0.15929123
   0.69343545  0.17040661  0.40610861
   0.44544626  0.12997041  0.43475784
   0.63606689  0.07670256  0.57208721
   0.85413296  0.21244400  0.81015333
   0.57781154  0.33537049  0.53339849
   0.86037825  0.45156030  0.87543458
   1.01640958  0.48115489  0.70120207
   0.73240931  0.41673087  0.69624845
   0.75096224  0.05692577  0.94206821
   0.48491519  0.09979423  0.95347242
   0.59067977  0.53896421  0.06685880
   0.86825969  0.67530242  0.27269222
   0.55626594  0.80783657  0.01968671
   0.82500217  0.95979096  0.33300980
   0.89864797  0.89493247  0.15120288
   0.66225464  0.81539673  0.20564609
   0.79640083  0.66135076  0.44935744
   0.55346294  0.60504717  0.36654232
   0.61648198  0.59670407  0.55590861
   0.82170403  0.70779345  0.79276894
   0.57719880  0.82817266  0.45086755
   0.94830497  0.93863381  0.83831573
   0.95058773  0.80280276  0.67382971
   0.71769888  0.94922023  0.72492794
   0.78161555  0.66902357  0.96885705
   0.52830666  0.63416533  0.89431055
   0.71067816  0.82089839  0.58166167
   0.53661345  0.84902846  0.39550930
   0.86192082  0.21266490  0.06861340
   0.98453042  0.41280511  0.34682278
   0.34901110  0.08222866  0.62872772
   0.24554007  0.78117435  0.77939535
   0.17483820  1.09070131  0.18199431
   0.24986376  1.08840426  0.03894205
   0.62469151  0.36924378  0.84744510
   0.92779976  0.49220699  0.68569961
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982167   -0.019450   -0.182455
    -0.000000    9.734052    0.039904
    -0.000000    0.000000   14.009003
   Si   O    H 
    32    64    10
Direct configuration=  2433
   0.15835061  0.17817000 -0.02436674
   0.31415795  0.08385431  0.37488620
   0.14726763  0.41633278  0.10386720
   0.38882902  0.32056410  0.23141423
   0.05840527  0.14221735  0.49217735
   0.39063487  0.12459442  0.85911295
   0.12120714  0.39224918  0.62949129
   0.37388312  0.38242016  0.75983390
   0.12612740  0.69892801 -0.00101240
   0.39686998  0.57255724  0.35460552
   0.06066468  0.91693539  0.13246871
   0.31233082  0.83567797  0.24759098
   0.16657513  0.63081306  0.48523257
   0.37442526  0.63126730  0.87301494
   0.06892901  0.87213189  0.61255673
   0.34795969  0.95528312  0.68990752
   0.62761191  0.12586791  1.00842592
   0.82631401  0.12491834  0.34589652
   0.63735393  0.40404105  0.10783838
   0.88271904  0.29040902  0.16388810
   0.58157024  0.17915403  0.48534853
   0.89220283  0.07944042  0.88237863
   0.60658623  0.45334657  0.61710861
   0.75512764  0.35417581  0.80933900
   0.62221211  0.66254043 -0.01267283
   0.90193448  0.59964464  0.37331889
   0.56599024  0.88388186  0.12356977
   0.81918389  0.83563284  0.24871823
   0.63335436  0.67547755  0.45271643
   0.87911824  0.61614511  0.88542279
   0.62848188  0.92228141  0.62267942
   0.85074373  0.85864534  0.75236909
   0.07200871  0.07907800  0.16527538
   0.34461406  0.16032675  0.26552494
   0.11453081  0.33358312  0.00536793
   0.37250416  0.41469183  0.32888946
   0.54487733  0.32092548  0.18647767
   0.29677955  0.37055056  0.14106738
   0.19921238  0.12497489  0.44803355
  -0.04299566  0.17585371  0.40363186
   0.02664230 -0.00205837  0.54973041
   0.45115362  0.24771742  0.79217112
   0.04833062  0.26779679  0.57292058
   0.32797145  0.47454261  0.84540005
   0.47989893  0.46305934  0.69436063
   0.24702808  0.33638069  0.68515525
   0.23701124  0.16484269 -0.12771173
   0.01174814  0.10340785  0.95433052
   0.11340227  0.58255027  0.09424595
   0.33609517  0.66192320  0.26364047
   0.09597010  0.85752338  0.02963449
   0.31585028  0.92329652  0.34884005
   0.41516120  0.87937608  0.16860061
   0.16075443  0.83295055  0.20897508
   0.31555355  0.63990523  0.44292857
   0.05620321  0.63860694  0.40213753
   0.16081434  0.49558400  0.54272130
   0.33407430  0.72196937  0.77766165
   0.13741307  0.77153837  0.54091455
   0.39998681  0.98675132  0.79693468
   0.46455694  0.87310257  0.63001479
   0.18264963  0.90501180  0.69398477
   0.28751138  0.69093817 -0.03841653
   0.02924513  0.63878329  0.91276408
   0.62800171  0.04100554  0.10943614
   0.85450684  0.17199209  0.23855517
   0.63409503  0.29243298  0.01389982
   0.90149527  0.43805480  0.36573724
   0.03793470  0.34022672  0.17693841
   0.77904347  0.42130707  0.15936849
   0.69354641  0.17110902  0.40675840
   0.44626724  0.12803851  0.43692260
   0.63693857  0.07627235  0.57207977
   0.85289676  0.21230143  0.81012919
   0.57794439  0.33556390  0.53343651
   0.86053998  0.45132566  0.87431850
   1.01698353  0.47910968  0.70304801
   0.73391769  0.41788071  0.69591361
   0.75098555  0.05577649  0.94034437
   0.48403748  0.10066233  0.95382604
   0.59040734  0.54100940  0.06693499
   0.86781896  0.67505924  0.27263871
   0.55527213  0.80828592  0.01991959
   0.82452421  0.95859504  0.33411886
   0.90050018  0.89458191  0.15079820
   0.66237063  0.81376484  0.20634908
   0.79835899  0.66199994  0.45076981
   0.55426848  0.60661606  0.36516892
   0.61482334  0.59480654  0.55686610
   0.82239972  0.70801775  0.79193336
   0.57800951  0.82675750  0.45240454
   0.94788634  0.93776947  0.83895374
   0.95145891  0.80368488  0.67370218
   0.71585050  0.94767607  0.72551152
   0.78138661  0.66931690  0.96862385
   0.52922616  0.63643896  0.89433226
   0.71366508  0.81633844  0.58150943
   0.53304732  0.85236244  0.39041012
   0.86572466  0.21391971  0.06833872
   0.99830025  0.41010362  0.34851923
   0.35489013  0.08564321  0.63495907
   0.24831126  0.78972288  0.77863147
   0.18057178  1.08538880  0.17443954
   0.25132432  1.08603632  0.03455041
   0.61978172  0.37686376  0.84346804
   0.92533865  0.49044940  0.68067771
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981763   -0.020654   -0.179261
    -0.000000    9.732506    0.039665
    -0.000000    0.000000   14.007895
   Si   O    H 
    32    64    10
Direct configuration=  2434
   0.15792334  0.17759955 -0.02485784
   0.31340888  0.08388846  0.37445092
   0.14685960  0.41510624  0.10347052
   0.38841136  0.32193013  0.23114829
   0.05795556  0.14331292  0.49311691
   0.39150031  0.12424541  0.85925806
   0.11958378  0.39089842  0.62917036
   0.37362028  0.38247310  0.76011685
   0.12626721  0.69965891 -0.00224205
   0.39640909  0.57243165  0.35426005
   0.06081110  0.91717122  0.13216678
   0.31123769  0.83502673  0.24703707
   0.16684022  0.63018938  0.48542694
   0.37505116  0.63377103  0.87366606
   0.06890370  0.87145520  0.61308702
   0.34730759  0.95673169  0.68937975
   0.62774957  0.12548916  1.00732835
   0.82650837  0.12444118  0.34658056
   0.63709943  0.40358884  0.10786809
   0.88221393  0.28994054  0.16439999
   0.58151495  0.17826070  0.48496140
   0.89204114  0.07894621  0.88277882
   0.60699219  0.45223234  0.61803086
   0.75373139  0.35331283  0.80977369
   0.62193660  0.66209958 -0.01241417
   0.90249862  0.60021202  0.37387977
   0.56691453  0.88382622  0.12392802
   0.81823169  0.83799586  0.24715546
   0.63316713  0.67584802  0.45344295
   0.87809970  0.61668012  0.88605749
   0.62686287  0.92277395  0.62211437
   0.85166037  0.85884133  0.75223980
   0.07382792  0.07770013  0.16616721
   0.34202699  0.16075336  0.26394977
   0.11566369  0.33606883  0.00556034
   0.37232585  0.41547453  0.32814036
   0.54423720  0.32198333  0.18499129
   0.29631185  0.37260577  0.14059448
   0.20012746  0.12646005  0.44690772
  -0.04550395  0.17730942  0.40359715
   0.02639766 -0.00417736  0.54998847
   0.45094091  0.24653974  0.79325041
   0.04850376  0.26675531  0.57293817
   0.32862348  0.47547875  0.84559977
   0.47992536  0.46402149  0.69324893
   0.24958043  0.33514820  0.68610901
   0.23587847  0.16474354 -0.12777016
   0.01285127  0.10358771  0.95365679
   0.11458566  0.58203175  0.09446947
   0.33798714  0.66072490  0.26310392
   0.09660375  0.85841475  0.02986578
   0.31420114  0.92404849  0.34971794
   0.41543702  0.87859978  0.16904034
   0.16026274  0.83093457  0.20931979
   0.31513031  0.64093030  0.44224616
   0.05671402  0.63710884  0.40277026
   0.16222541  0.49740906  0.54288745
   0.33574117  0.72088630  0.77819017
   0.13891766  0.77061929  0.54141587
   0.40076410  0.98648175  0.79719320
   0.46568862  0.87367966  0.63121921
   0.18398562  0.90627318  0.69375812
   0.28730346  0.69132931 -0.03895911
   0.03006497  0.63896644  0.91314951
   0.62857986  0.03914185  0.10889284
   0.85387252  0.17144062  0.23828173
   0.63416151  0.29105958  0.01459916
   0.90057780  0.43575234  0.36698951
   0.03771287  0.34341833  0.17632377
   0.77828124  0.42128086  0.15942121
   0.69384211  0.17156336  0.40630771
   0.44711796  0.12620840  0.43908272
   0.63705019  0.07636818  0.57187234
   0.85105904  0.21177184  0.80975185
   0.57804734  0.33600422  0.53385237
   0.86028694  0.45099681  0.87276518
   1.01784007  0.47673516  0.70475997
   0.73528682  0.41856334  0.69534696
   0.75148269  0.05497689  0.93903062
   0.48292105  0.10217696  0.95397169
   0.58946501  0.54301672  0.06621517
   0.86729734  0.67554037  0.27232738
   0.55525761  0.80941330  0.02063617
   0.82366441  0.95733676  0.33519962
   0.90248513  0.89430953  0.15072366
   0.66261113  0.81280498  0.20735204
   0.79998485  0.66195101  0.45203669
   0.55484674  0.60756521  0.36388384
   0.61218088  0.59292819  0.55864850
   0.82301824  0.70720593  0.79133497
   0.57784617  0.82626878  0.45325498
   0.94712069  0.93670287  0.83939950
   0.95282136  0.80528209  0.67366703
   0.71460188  0.94637092  0.72607903
   0.78119977  0.66916978  0.96842938
   0.53069228  0.63817733  0.89448260
   0.71781845  0.81232208  0.58167994
   0.53173949  0.85650214  0.39028448
   0.87164379  0.21886998  0.06930176
   1.00112442  0.41087966  0.35216055
   0.35698924  0.08710108  0.64292250
   0.25872954  0.78764797  0.77880176
   0.17289170  1.08407937  0.16746356
   0.24994187  1.08520056  0.02920472
   0.61326785  0.38522247  0.84164243
   0.92171612  0.48656015  0.67677397
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981431   -0.021205   -0.175654
    -0.000000    9.731341    0.039215
    -0.000000    0.000000   14.006982
   Si   O    H 
    32    64    10
Direct configuration=  2435
   0.15753195  0.17645566 -0.02526675
   0.31355790  0.08437428  0.37370882
   0.14657722  0.41461701  0.10318694
   0.38833441  0.32328301  0.23098755
   0.05777400  0.14429328  0.49408137
   0.39256597  0.12421270  0.85960924
   0.11855180  0.39035714  0.62853648
   0.37331603  0.38295863  0.75994978
   0.12658506  0.70069645 -0.00340597
   0.39596472  0.57239363  0.35350892
   0.06115521  0.91732005  0.13240918
   0.31029956  0.83413110  0.24667035
   0.16720219  0.63035311  0.48579485
   0.37561002  0.63613662  0.87380693
   0.06881318  0.87061869  0.61356459
   0.34689537  0.95772361  0.68894946
   0.62767117  0.12517038  1.00655435
   0.82724719  0.12383533  0.34714798
   0.63588726  0.40252938  0.10749292
   0.88149023  0.28968275  0.16439938
   0.58181515  0.17797607  0.48427626
   0.89132015  0.07843293  0.88339098
   0.60717658  0.45074433  0.61903823
   0.75284465  0.35231257  0.80989933
   0.62223817  0.66118207 -0.01195837
   0.90351199  0.60077968  0.37418024
   0.56754982  0.88430818  0.12433243
   0.81791528  0.83988006  0.24557392
   0.63364677  0.67629777  0.45433450
   0.87721183  0.61677485  0.88597363
   0.62496447  0.92386807  0.62170131
   0.85298722  0.85911632  0.75258269
   0.07559501  0.07653904  0.16658366
   0.33890123  0.16192040  0.26230519
   0.11746643  0.33725368  0.00486194
   0.37266838  0.41665373  0.32752383
   0.54366003  0.32349484  0.18390429
   0.29608052  0.37349981  0.13992445
   0.20100349  0.12787225  0.44615449
  -0.04658840  0.17831191  0.40383992
   0.02579430 -0.00488001  0.54954696
   0.45096587  0.24536929  0.79404476
   0.04869211  0.26558364  0.57324686
   0.32930039  0.47597786  0.84620076
   0.48037828  0.46516657  0.69260718
   0.25148505  0.33337600  0.68690032
   0.23479349  0.16414944 -0.12751258
   0.01440138  0.10336201  0.95353328
   0.11563431  0.58269741  0.09402078
   0.33994561  0.65914581  0.26226226
   0.09747979  0.85846763  0.03036646
   0.31313304  0.92470537  0.35054022
   0.41582265  0.87808978  0.16899443
   0.15963187  0.82928282  0.20898220
   0.31459580  0.64154554  0.44171542
   0.05696781  0.63562795  0.40347358
   0.16371565  0.49742826  0.54284100
   0.33806329  0.72027101  0.77842421
   0.14147513  0.76911937  0.54205406
   0.40138136  0.98641084  0.79804819
   0.46671570  0.87467562  0.63262077
   0.18629395  0.90808136  0.69366724
   0.28648605  0.69179095 -0.03920220
   0.03102501  0.63935942  0.91393855
   0.62843141  0.03713965  0.10808364
   0.85307672  0.17068026  0.23791458
   0.63484957  0.29038576  0.01575217
   0.89975785  0.43308801  0.36769746
   0.03668551  0.34696659  0.17590242
   0.77802444  0.42075201  0.15955261
   0.69405423  0.17178444  0.40552126
   0.44836991  0.12476005  0.44088455
   0.63704231  0.07599556  0.57189070
   0.84864217  0.21128400  0.80932952
   0.57893388  0.33673554  0.53420504
   0.86019176  0.45121750  0.87158434
   1.01862263  0.47412910  0.70582035
   0.73629448  0.41876429  0.69455871
   0.75172491  0.05481382  0.93780861
   0.48172799  0.10293503  0.95433368
   0.58758340  0.54601551  0.06582516
   0.86643623  0.67714407  0.27262142
   0.55531326  0.81013107  0.02100081
   0.82264311  0.95528607  0.33540637
   0.90426443  0.89403676  0.15067575
   0.66275055  0.81261458  0.20821503
   0.80091842  0.66194840  0.45318205
   0.55561243  0.60776945  0.36285958
   0.60940233  0.59160613  0.56076626
   0.82302082  0.70656424  0.79139029
   0.57712559  0.82599804  0.45338788
   0.94597341  0.93621461  0.83935216
   0.95408027  0.80758319  0.67356848
   0.71366311  0.94532184  0.72662657
   0.78018125  0.66878455  0.96870622
   0.53150165  0.63977952  0.89495600
   0.71745346  0.81334884  0.58147733
   0.53712567  0.85631922  0.39453415
   0.87520128  0.22327428  0.07112735
   0.99431714  0.41383668  0.35662724
   0.35559010  0.09120926  0.64836615
   0.26925191  0.78039992  0.77774868
   0.16698764  1.08697969  0.16329607
   0.24474993  1.08771531  0.02622210
   0.61270940  0.38862988  0.84265698
   0.92403084  0.47962575  0.67456266
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980620   -0.020856   -0.172006
    -0.000000    9.729820    0.038601
    -0.000000    0.000000   14.006120
   Si   O    H 
    32    64    10
Direct configuration=  2436
   0.15702216  0.17543135 -0.02598229
   0.31387415  0.08495746  0.37261608
   0.14642557  0.41453999  0.10314493
   0.38861788  0.32398220  0.23043664
   0.05754003  0.14537882  0.49511092
   0.39358701  0.12386760  0.85975548
   0.11774268  0.38958727  0.62847100
   0.37321307  0.38337818  0.75974039
   0.12712499  0.70084913 -0.00414833
   0.39526941  0.57298729  0.35296659
   0.06145809  0.91699049  0.13333673
   0.30932562  0.83304323  0.24672261
   0.16718935  0.63113293  0.48554863
   0.37649922  0.63793097  0.87377671
   0.06939855  0.86963742  0.61384311
   0.34703870  0.95891854  0.68820720
   0.62771415  0.12514963  1.00594957
   0.82701043  0.12335530  0.34753700
   0.63462363  0.40062963  0.10715843
   0.88118476  0.28973009  0.16457703
   0.58197594  0.17846729  0.48394807
   0.89042423  0.07810218  0.88399955
   0.60746493  0.44931260  0.62031777
   0.75273745  0.35154879  0.80961502
   0.62263910  0.66033924 -0.01174058
   0.90493606  0.60103030  0.37440679
   0.56785822  0.88500069  0.12463634
   0.81794751  0.84172070  0.24413831
   0.63443548  0.67643307  0.45510230
   0.87560010  0.61695407  0.88587906
   0.62361062  0.92518453  0.62174183
   0.85409916  0.85949544  0.75313404
   0.07716683  0.07532625  0.16715180
   0.33662336  0.16271792  0.26101710
   0.11871211  0.33872131  0.00380350
   0.37309745  0.41708960  0.32617724
   0.54339382  0.32484748  0.18307241
   0.29582576  0.37423278  0.13953808
   0.20126609  0.12937487  0.44519331
  -0.04760532  0.17898112  0.40406181
   0.02346090 -0.00339174  0.54890067
   0.45112239  0.24439828  0.79529388
   0.04869126  0.26501233  0.57276527
   0.32956983  0.47735879  0.84684119
   0.48054106  0.46568045  0.69180798
   0.25261359  0.33176647  0.68808839
   0.23366855  0.16448913 -0.12716956
   0.01569647  0.10394562  0.95376443
   0.11594833  0.58308404  0.09319177
   0.34207447  0.65765455  0.26074425
   0.09810052  0.85795400  0.03055541
   0.31241539  0.92593395  0.35049710
   0.41683697  0.87799953  0.16901110
   0.15899052  0.82715074  0.20827512
   0.31507843  0.64155584  0.44104184
   0.05695170  0.63328021  0.40423765
   0.16472351  0.49721172  0.54389372
   0.34135347  0.71837549  0.77868253
   0.14368780  0.76784183  0.54261972
   0.40191891  0.98626486  0.79914767
   0.46808870  0.87542647  0.63338113
   0.18921888  0.90905880  0.69358667
   0.28489580  0.69221887 -0.03858194
   0.03258313  0.64025177  0.91443112
   0.62861453  0.03591690  0.10674546
   0.85153847  0.16946844  0.23783860
   0.63567472  0.28944724  0.01664555
   0.89947037  0.43133111  0.36837028
   0.03504896  0.34981413  0.17511830
   0.77783713  0.41960531  0.15931406
   0.69440500  0.17142095  0.40425994
   0.44894402  0.12361580  0.44223760
   0.63745978  0.07620246  0.57186993
   0.84578162  0.21001161  0.80889483
   0.57964692  0.33641046  0.53448040
   0.85965304  0.45089177  0.87066666
   1.01880899  0.47257540  0.70653846
   0.73748777  0.41911875  0.69447939
   0.75149192  0.05458743  0.93638514
   0.48126416  0.10401493  0.95446063
   0.58574887  0.54913543  0.06619666
   0.86464233  0.67798059  0.27293330
   0.55624252  0.80983484  0.02159867
   0.82237453  0.95331429  0.33508680
   0.90605019  0.89367008  0.15065888
   0.66297008  0.81216512  0.20883744
   0.80157904  0.66159499  0.45442519
   0.55684921  0.60823559  0.36195819
   0.60694095  0.59079068  0.56227221
   0.82267890  0.70559283  0.79203090
   0.57664641  0.82623715  0.45393066
   0.94487443  0.93575659  0.83987462
   0.95489426  0.80935568  0.67307669
   0.71261296  0.94469370  0.72690479
   0.77944962  0.66878860  0.96956184
   0.53237530  0.64163032  0.89467020
   0.71574770  0.81671459  0.58183314
   0.53782883  0.85762196  0.39432825
   0.87823692  0.22653106  0.07397520
   0.99178734  0.41040779  0.35998307
   0.34897093  0.10201350  0.65257982
   0.26112222  0.78573426  0.77894356
   0.17959484  1.09482015  0.16209334
   0.24050342  1.08830784  0.02981260
   0.61874526  0.38488509  0.84454875
   0.93083131  0.47532854  0.67725843
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980270   -0.020381   -0.169020
    -0.000000    9.728424    0.038231
    -0.000000    0.000000   14.005051
   Si   O    H 
    32    64    10
Direct configuration=  2437
   0.15658641  0.17484899 -0.02674621
   0.31494825  0.08557646  0.37108272
   0.14626772  0.41495194  0.10287280
   0.38922064  0.32435359  0.23026964
   0.05626434  0.14569186  0.49571195
   0.39501041  0.12373500  0.85968710
   0.11747833  0.38922117  0.62856521
   0.37307527  0.38372940  0.75918634
   0.12775652  0.70051325 -0.00454149
   0.39459004  0.57312783  0.35230767
   0.06202657  0.91694498  0.13452719
   0.30922209  0.83170603  0.24666149
   0.16742867  0.63210116  0.48497745
   0.37686874  0.63928895  0.87360051
   0.07040877  0.86842689  0.61405237
   0.34770223  0.95979174  0.68770393
   0.62804288  0.12526542  1.00522219
   0.82688963  0.12264404  0.34791025
   0.63333017  0.39901605  0.10667713
   0.88098740  0.28921989  0.16454784
   0.58237649  0.17888001  0.48386953
   0.88957899  0.07848235  0.88445964
   0.60731805  0.44799764  0.62155483
   0.75266978  0.35022732  0.80879458
   0.62335610  0.65999446 -0.01180018
   0.90593412  0.60150183  0.37459901
   0.56853922  0.88541094  0.12500471
   0.81757846  0.84311230  0.24274846
   0.63521038  0.67623235  0.45596274
   0.87394868  0.61701664  0.88551019
   0.62245275  0.92633822  0.62161671
   0.85454073  0.85961880  0.75372522
   0.08016048  0.07395641  0.16767160
   0.33413490  0.16344767  0.25958743
   0.12016299  0.33924487  0.00237826
   0.37331369  0.41753205  0.32540157
   0.54215364  0.32521424  0.18292446
   0.29604163  0.37455461  0.13904192
   0.20195621  0.13172421  0.44410568
  -0.04821526  0.17941233  0.40494386
   0.02183531 -0.00190271  0.54796217
   0.45122652  0.24459440  0.79605709
   0.04875784  0.26442958  0.57219233
   0.33013178  0.47703299  0.84794654
   0.48081787  0.46686982  0.69083230
   0.25278136  0.33104555  0.68957065
   0.23252038  0.16441204 -0.12691266
   0.01666025  0.10498788  0.95374839
   0.11704926  0.58382609  0.09175535
   0.34437023  0.65693925  0.25973329
   0.09904850  0.85696283  0.03127765
   0.31179355  0.92674602  0.35025424
   0.41715929  0.87838780  0.16860573
   0.15906935  0.82516726  0.20731490
   0.31582442  0.64158183  0.44000739
   0.05658091  0.63134012  0.40433174
   0.16569693  0.49612467  0.54532364
   0.34398752  0.71747813  0.77891522
   0.14586267  0.76701774  0.54360933
   0.40284751  0.98596197  0.80015621
   0.46887057  0.87562044  0.63390684
   0.19230342  0.91037756  0.69319747
   0.28262277  0.69196823 -0.03771078
   0.03333740  0.64115672  0.91462137
   0.62884359  0.03531401  0.10519829
   0.84962671  0.16849727  0.23780480
   0.63708805  0.28920227  0.01687767
   0.89858240  0.43011146  0.36855147
   0.03279217  0.35287166  0.17442611
   0.77701319  0.41871751  0.15902332
   0.69450569  0.17114443  0.40267069
   0.44794235  0.12216068  0.44269505
   0.63857150  0.07657029  0.57144282
   0.84350375  0.20895704  0.80817955
   0.58039063  0.33537010  0.53394053
   0.85933931  0.45139173  0.86945753
   1.01963732  0.47072481  0.70704224
   0.73831092  0.41979168  0.69458208
   0.74985136  0.05473024  0.93589181
   0.48055639  0.10433363  0.95497142
   0.58380877  0.55156881  0.06653039
   0.86234676  0.67992440  0.27306942
   0.55728288  0.80935194  0.02192010
   0.82268705  0.95230268  0.33391567
   0.90795751  0.89333844  0.15064637
   0.66275719  0.81131277  0.20921889
   0.80271111  0.66079570  0.45592043
   0.55826840  0.60773620  0.36115074
   0.60494966  0.59006822  0.56305181
   0.82235111  0.70369925  0.79309459
   0.57660419  0.82661174  0.45443473
   0.94432528  0.93582504  0.83976838
   0.95506101  0.81102787  0.67238961
   0.71179685  0.94329579  0.72759741
   0.77848175  0.66857016  0.97039576
   0.53349902  0.64304642  0.89392682
   0.71206930  0.82342387  0.58395370
   0.53954823  0.85757616  0.39140332
   0.88034059  0.22858831  0.07340552
   0.99219538  0.40408225  0.36153748
   0.34318399  0.11384853  0.65596840
   0.25798073  0.78695114  0.78062651
   0.18324006  1.10373154  0.16071508
   0.23979013  1.08698046  0.03665591
   0.62576629  0.38141110  0.84715907
   0.93163396  0.47366840  0.67963502
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979801   -0.020275   -0.165778
    -0.000000    9.726905    0.037494
    -0.000000    0.000000   14.004139
   Si   O    H 
    32    64    10
Direct configuration=  2438
   0.15621541  0.17499658 -0.02745041
   0.31575658  0.08630105  0.36976265
   0.14578500  0.41546007  0.10247466
   0.38942336  0.32406855  0.22978740
   0.05469980  0.14609855  0.49615687
   0.39608346  0.12383603  0.85963981
   0.11711028  0.38900247  0.62866899
   0.37320914  0.38397356  0.75852560
   0.12820004  0.70062886 -0.00457005
   0.39396041  0.57336639  0.35198285
   0.06352684  0.91696374  0.13549998
   0.30977630  0.82964965  0.24691525
   0.16799696  0.63336643  0.48394274
   0.37736231  0.64066554  0.87356028
   0.07181869  0.86740359  0.61452607
   0.34840289  0.96142368  0.68738005
   0.62827452  0.12486645  1.00460014
   0.82658892  0.12208700  0.34805036
   0.63258495  0.39741513  0.10651003
   0.88052840  0.28921451  0.16457309
   0.58360600  0.17909004  0.48421332
   0.88856494  0.07924657  0.88505868
   0.60749576  0.44700730  0.62250809
   0.75317555  0.34886193  0.80791236
   0.62418383  0.66014931 -0.01187374
   0.90702845  0.60207761  0.37459483
   0.56996922  0.88587838  0.12530334
   0.81703450  0.84457072  0.24176618
   0.63641781  0.67546231  0.45701083
   0.87291325  0.61646670  0.88515784
   0.62105129  0.92704975  0.62169823
   0.85475195  0.85988998  0.75419538
   0.08400883  0.07344188  0.16817652
   0.33310121  0.16423189  0.25907410
   0.12173743  0.33946041  0.00053484
   0.37307736  0.41820608  0.32458019
   0.54050897  0.32512301  0.18281006
   0.29633468  0.37515728  0.13829028
   0.20186298  0.13369320  0.44329936
  -0.04809187  0.17935019  0.40654505
   0.01957933 -0.00044794  0.54709961
   0.45118586  0.24624314  0.79598354
   0.04879414  0.26505958  0.57206817
   0.33025170  0.47626770  0.84912475
   0.48091473  0.46760958  0.69023869
   0.25235956  0.33124578  0.69024840
   0.23286446  0.16414352 -0.12658955
   0.01746947  0.10578382  0.95345584
   0.11778853  0.58452242  0.09029815
   0.34626935  0.65673880  0.25844182
   0.09982523  0.85553640  0.03176969
   0.31070114  0.92631149  0.35019668
   0.41804117  0.87874570  0.16858740
   0.15886715  0.82302483  0.20671078
   0.31719420  0.64195687  0.43918636
   0.05558768  0.62956042  0.40413470
   0.16626688  0.49518876  0.54688882
   0.34616517  0.71852555  0.77892574
   0.14768832  0.76576845  0.54454729
   0.40351403  0.98586718  0.80107789
   0.46940275  0.87694491  0.63451884
   0.19525616  0.91153639  0.69245379
   0.28119947  0.69101061 -0.03715196
   0.03325212  0.64211269  0.91460399
   0.62876248  0.03569729  0.10370662
   0.84786781  0.16809024  0.23837889
   0.63888142  0.28903278  0.01726141
   0.89740065  0.42912276  0.36860284
   0.03058974  0.35682310  0.17397420
   0.77615246  0.41770649  0.15878942
   0.69417031  0.17056759  0.40094330
   0.44615045  0.12066700  0.44327505
   0.63978965  0.07665645  0.57084625
   0.84122220  0.20779974  0.80769480
   0.58142680  0.33478147  0.53316462
   0.85876074  0.45241053  0.86796877
   1.02083993  0.46852949  0.70701031
   0.73886731  0.42008637  0.69493034
   0.74859581  0.05554640  0.93645032
   0.47970860  0.10384768  0.95623143
   0.58140597  0.55333077  0.06780690
   0.85943831  0.68111310  0.27342841
   0.55867864  0.80852887  0.02206562
   0.82328344  0.95105329  0.33272004
   0.90908220  0.89223055  0.15108390
   0.66212246  0.81088278  0.20903523
   0.80393489  0.66086056  0.45692269
   0.55964998  0.60699728  0.36117238
   0.60390009  0.58979805  0.56353581
   0.82240782  0.70162108  0.79396946
   0.57635960  0.82811950  0.45468177
   0.94357883  0.93595464  0.83894288
   0.95451772  0.81166046  0.67185740
   0.71126272  0.94202067  0.72801641
   0.77751387  0.66865482  0.97104694
   0.53509321  0.64527401  0.89284060
   0.70579799  0.82576614  0.58595372
   0.54301760  0.85601419  0.39087742
   0.87976578  0.22569050  0.07020520
   0.99346455  0.39575349  0.36216279
   0.33867135  0.12262030  0.65897050
   0.26687435  0.77688343  0.78146819
   0.17776633  1.11034171  0.16245067
   0.23788303  1.08398913  0.04631459
   0.63052700  0.37511939  0.85252553
   0.92591536  0.47155046  0.68031454
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979508   -0.019849   -0.163139
    -0.000000    9.725444    0.037141
    -0.000000    0.000000   14.003055
   Si   O    H 
    32    64    10
Direct configuration=  2439
   0.15579995  0.17441604 -0.02767654
   0.31660086  0.08686139  0.36869562
   0.14500481  0.41648876  0.10216829
   0.38941309  0.32367404  0.22900461
   0.05314075  0.14672990  0.49681578
   0.39683376  0.12464692  0.85993940
   0.11697284  0.38936137  0.62895977
   0.37310770  0.38509982  0.75737791
   0.12914063  0.70024975 -0.00484635
   0.39377515  0.57391084  0.35145551
   0.06453950  0.91687352  0.13635956
   0.31075378  0.82757749  0.24731961
   0.16815742  0.63401579  0.48317846
   0.37795434  0.64141579  0.87411823
   0.07326292  0.86732972  0.61429792
   0.34874997  0.96344764  0.68729185
   0.62867387  0.12429791  1.00406035
   0.82606202  0.12161405  0.34799835
   0.63196559  0.39648697  0.10649787
   0.87936824  0.28871907  0.16434020
   0.58534716  0.17972597  0.48422633
   0.88749393  0.07982400  0.88559262
   0.60783915  0.44607411  0.62263839
   0.75436008  0.34742468  0.80678839
   0.62515734  0.66000481 -0.01192866
   0.90744286  0.60330349  0.37453826
   0.57095583  0.88640907  0.12517256
   0.81707209  0.84563513  0.24066018
   0.63829555  0.67405506  0.45766827
   0.87187707  0.61548401  0.88494806
   0.62050088  0.92776931  0.62178741
   0.85472842  0.85969080  0.75475662
   0.08810625  0.07291294  0.16836195
   0.33196725  0.16526511  0.25893409
   0.12354105  0.33968182 -0.00129962
   0.37312193  0.41768022  0.32384108
   0.53884543  0.32499253  0.18325712
   0.29720139  0.37580153  0.13819573
   0.20180108  0.13616022  0.44267273
  -0.04693635  0.17915828  0.40836653
   0.01754148 -0.00006857  0.54623609
   0.45119443  0.24727328  0.79622123
   0.04872767  0.26637746  0.57202407
   0.33043465  0.47588223  0.85022729
   0.48083713  0.46746867  0.68978871
   0.25193891  0.33093205  0.69035971
   0.23348867  0.16320057 -0.12586564
   0.01776133  0.10713540  0.95288748
   0.11880128  0.58578811  0.08859568
   0.34751401  0.65633199  0.25690928
   0.10082468  0.85420345  0.03297778
   0.30977604  0.92511575  0.35016158
   0.41902460  0.87997845  0.16898487
   0.15875878  0.82101676  0.20694424
   0.31808427  0.64250290  0.43872251
   0.05499236  0.62907618  0.40417911
   0.16741916  0.49424688  0.54816918
   0.34783087  0.72022728  0.77901765
   0.14883266  0.76474940  0.54564603
   0.40443469  0.98475964  0.80124336
   0.46996246  0.87780596  0.63490078
   0.19733816  0.91268670  0.69153247
   0.27975779  0.69004482 -0.03704812
   0.03300571  0.64407183  0.91435799
   0.62905139  0.03695324  0.10236803
   0.84687432  0.16750182  0.23876054
   0.64016691  0.28930944  0.01787362
   0.89636418  0.42849042  0.36857987
   0.02867176  0.36104822  0.17325038
   0.77621366  0.41685301  0.15863174
   0.69379838  0.16977211  0.39906324
   0.44464895  0.11907315  0.44342198
   0.64013903  0.07624214  0.57074230
   0.83949690  0.20613035  0.80755570
   0.58267344  0.33382438  0.53264839
   0.85838501  0.45297370  0.86641466
   1.02146113  0.46650051  0.70661014
   0.74026989  0.41971582  0.69532227
   0.74776544  0.05622080  0.93750254
   0.47921742  0.10349963  0.95797392
   0.57864930  0.55283569  0.06881749
   0.85653215  0.68356663  0.27343015
   0.55983480  0.80757796  0.02303581
   0.82405578  0.94936750  0.33168675
   0.90923009  0.89202234  0.15152560
   0.66074143  0.81088683  0.20876530
   0.80426270  0.66049974  0.45773747
   0.56070482  0.60614683  0.36170629
   0.60282893  0.59060868  0.56333644
   0.82265175  0.69983356  0.79457288
   0.57616974  0.82919049  0.45532381
   0.94296824  0.93609263  0.83826753
   0.95431316  0.81261541  0.67103757
   0.71089745  0.94079727  0.72854850
   0.77720050  0.66830607  0.97249219
   0.53633657  0.64697195  0.89191690
   0.70197468  0.82223746  0.58620110
   0.54377753  0.85380421  0.39411889
   0.87948748  0.22177041  0.06766496
   0.98996691  0.38991607  0.36285375
   0.33653534  0.12309268  0.66017210
   0.27245697  0.76641497  0.78000221
   0.16884613  1.11421464  0.16738311
   0.23462792  1.08420584  0.05160101
   0.63034098  0.36809514  0.85751107
   0.92648603  0.47134550  0.68326805
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978963   -0.018783   -0.160687
    -0.000000    9.723786    0.036832
    -0.000000    0.000000   14.002213
   Si   O    H 
    32    64    10
Direct configuration=  2440
   0.15538403  0.17422782 -0.02769431
   0.31731452  0.08767398  0.36790566
   0.14396597  0.41781042  0.10189649
   0.38926134  0.32268413  0.22801087
   0.05175682  0.14758717  0.49726535
   0.39716762  0.12598824  0.86012515
   0.11690106  0.39030206  0.62935130
   0.37317864  0.38649089  0.75644444
   0.12995724  0.69949456 -0.00488211
   0.39464542  0.57432631  0.35129510
   0.06533255  0.91623937  0.13722713
   0.31175371  0.82550801  0.24764558
   0.16848818  0.63448752  0.48244254
   0.37849728  0.64151549  0.87473031
   0.07470904  0.86742960  0.61424601
   0.34934629  0.96565551  0.68706834
   0.62893508  0.12354709  1.00327400
   0.82572930  0.12089108  0.34740142
   0.63140296  0.39518114  0.10624427
   0.87795488  0.28865117  0.16412741
   0.58693936  0.17957763  0.48416118
   0.88659526  0.08073995  0.88631400
   0.60829893  0.44552113  0.62270490
   0.75561929  0.34671290  0.80559677
   0.62572257  0.65977488 -0.01189856
   0.90703504  0.60405535  0.37408889
   0.57166344  0.88679216  0.12511833
   0.81715015  0.84617115  0.23979079
   0.64019072  0.67268837  0.45832266
   0.87092504  0.61449099  0.88470196
   0.62075648  0.92820817  0.62151959
   0.85438628  0.85940965  0.75475574
   0.09117465  0.07201731  0.16801366
   0.33089900  0.16674069  0.25905930
   0.12481037  0.33965695 -0.00286343
   0.37350476  0.41664012  0.32329866
   0.53651152  0.32380280  0.18393506
   0.29774618  0.37645919  0.13823971
   0.20219814  0.13928851  0.44179065
  -0.04593030  0.17862653  0.41060794
   0.01507183 -0.00032933  0.54535688
   0.45135149  0.24866440  0.79612845
   0.04771663  0.26743710  0.57177411
   0.33083368  0.47474976  0.85098196
   0.47998142  0.46697964  0.68936046
   0.25163836  0.33032686  0.68994044
   0.23404127  0.16209091 -0.12531856
   0.01759212  0.10811185  0.95301772
   0.11991662  0.58656194  0.08696917
   0.34822465  0.65592812  0.25533091
   0.10184108  0.85323025  0.03414662
   0.30931784  0.92365912  0.34900690
   0.42031996  0.88161888  0.16976158
   0.15899810  0.82007694  0.20738344
   0.31795991  0.64282816  0.43839954
   0.05563464  0.62907216  0.40427653
   0.16809254  0.49405325  0.54981848
   0.35024106  0.72090272  0.77893338
   0.14862080  0.76327656  0.54663245
   0.40516915  0.98397763  0.80115385
   0.47079474  0.87807586  0.63587183
   0.19882680  0.91303624  0.69136767
   0.27916783  0.68928622 -0.03709581
   0.03262463  0.64637895  0.91345821
   0.62893102  0.03771013  0.10147148
   0.84613768  0.16820945  0.23926349
   0.64126317  0.28947322  0.01869263
   0.89634977  0.42753664  0.36795580
   0.02708070  0.36480416  0.17309756
   0.77607374  0.41729703  0.15813994
   0.69354578  0.16919224  0.39772261
   0.44339157  0.11748394  0.44384766
   0.64038379  0.07604431  0.57058051
   0.83861839  0.20417011  0.80709475
   0.58407831  0.33287048  0.53261517
   0.85776405  0.45281163  0.86541015
   1.02149501  0.46543203  0.70558472
   0.74109212  0.41809496  0.69622101
   0.74724901  0.05639979  0.93828715
   0.47832668  0.10212670  0.95922892
   0.57546564  0.55177363  0.06934181
   0.85379663  0.68562702  0.27373992
   0.56131214  0.80658256  0.02435204
   0.82504949  0.94813927  0.33093742
   0.90908074  0.89142984  0.15190379
   0.65897270  0.81123541  0.20820046
   0.80485506  0.66050240  0.45859517
   0.56191760  0.60544561  0.36312452
   0.60176140  0.59204041  0.56290286
   0.82323828  0.69848966  0.79504066
   0.57606551  0.82988482  0.45528142
   0.94252253  0.93609955  0.83755816
   0.95284092  0.81388149  0.66975145
   0.71092438  0.93952319  0.72902131
   0.77775482  0.66847866  0.97380535
   0.53850905  0.64816292  0.89078541
   0.70039591  0.81676312  0.58408198
   0.54357026  0.85512108  0.39079395
   0.87741825  0.21952252  0.06704373
   0.97957616  0.38648572  0.36222979
   0.33378113  0.11580617  0.65685777
   0.25526727  0.77071118  0.77943964
   0.17343105  1.12886070  0.17326977
   0.22943168  1.08859016  0.05279607
   0.62808882  0.36164476  0.86204465
   0.93218455  0.47035699  0.68788665
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978348   -0.017611   -0.157598
    -0.000000    9.722228    0.036566
    -0.000000    0.000000   14.001154
   Si   O    H 
    32    64    10
Direct configuration=  2441
   0.15584535  0.17436737 -0.02741338
   0.31862406  0.08834679  0.36743807
   0.14296803  0.41931745  0.10154799
   0.38930277  0.32174121  0.22738478
   0.05131829  0.14790122  0.49700509
   0.39737241  0.12685361  0.86028381
   0.11670966  0.39088200  0.62962842
   0.37332842  0.38723697  0.75552189
   0.13084998  0.69850998 -0.00492460
   0.39636114  0.57463246  0.35162362
   0.06608541  0.91544546  0.13811207
   0.31253145  0.82351480  0.24808306
   0.16946899  0.63449451  0.48192114
   0.37910276  0.64081657  0.87608357
   0.07663506  0.86842214  0.61391238
   0.34989632  0.96775312  0.68666060
   0.62882835  0.12318218  1.00239169
   0.82588508  0.12005446  0.34697935
   0.63176859  0.39418470  0.10596568
   0.87707679  0.28909368  0.16379660
   0.58816617  0.17958445  0.48401140
   0.88576391  0.08144697  0.88638299
   0.60903152  0.44475233  0.62274689
   0.75688543  0.34628591  0.80450607
   0.62582704  0.66021759 -0.01086034
   0.90592154  0.60426157  0.37370412
   0.57228764  0.88717426  0.12530621
   0.81704073  0.84658907  0.23927724
   0.64165511  0.67154610  0.45932621
   0.87014722  0.61347627  0.88470879
   0.62138716  0.92862147  0.62101675
   0.85312802  0.85828646  0.75506274
   0.09322704  0.07197361  0.16772249
   0.33060712  0.16794040  0.25957728
   0.12579805  0.33979807 -0.00418130
   0.37416167  0.41631787  0.32309987
   0.53397045  0.32163552  0.18427436
   0.29782314  0.37721160  0.13820953
   0.20185991  0.14146867  0.44089016
  -0.04560853  0.17727803  0.41172550
   0.01306768 -0.00087272  0.54454678
   0.45158763  0.25050050  0.79577997
   0.04689826  0.26794702  0.57158753
   0.33144920  0.47373430  0.85127373
   0.48000992  0.46737353  0.68914026
   0.25165298  0.32909062  0.68935767
   0.23418312  0.16050979 -0.12499033
   0.01687376  0.10810728  0.95275574
   0.12144889  0.58650614  0.08526954
   0.34866248  0.65568089  0.25388600
   0.10325667  0.85243366  0.03482643
   0.30923112  0.92149387  0.34800515
   0.42191973  0.88294700  0.17047494
   0.15921464  0.81879717  0.20786971
   0.31833114  0.64319333  0.43813430
   0.05619595  0.62917138  0.40426037
   0.16904737  0.49434036  0.55071430
   0.35187302  0.72250142  0.77797076
   0.14780165  0.76188748  0.54804811
   0.40480155  0.98339800  0.80115130
   0.47076318  0.87868896  0.63727437
   0.19898999  0.91240148  0.69121573
   0.27923947  0.68901026 -0.03704302
   0.03179943  0.64808918  0.91266119
   0.62836318  0.03913778  0.10120397
   0.84491551  0.16855448  0.23937472
   0.64261100  0.28939179  0.01925180
   0.89535877  0.42810253  0.36766563
   0.02641910  0.36810376  0.17335739
   0.77566254  0.41809611  0.15777507
   0.69318655  0.16907045  0.39631036
   0.44207333  0.11568407  0.44434678
   0.64100954  0.07653510  0.57048375
   0.83737715  0.20165458  0.80643737
   0.58502163  0.33210063  0.53232823
   0.85709758  0.45313500  0.86481756
   1.02236072  0.46408835  0.70473213
   0.74121598  0.41719213  0.69722023
   0.74623916  0.05621118  0.93932595
   0.47726380  0.10096006  0.96085356
   0.57382889  0.55013952  0.06999329
   0.85076301  0.68737680  0.27377066
   0.56248890  0.80486929  0.02488288
   0.82644791  0.94730431  0.33036343
   0.90868935  0.89161825  0.15166447
   0.65661162  0.81236262  0.20775392
   0.80566351  0.66030238  0.45946844
   0.56303888  0.60534610  0.36483038
   0.60139891  0.59357605  0.56208230
   0.82373095  0.69726362  0.79530008
   0.57622544  0.83076502  0.45513938
   0.94160633  0.93635174  0.83649334
   0.95214432  0.81427047  0.66833220
   0.71102954  0.93843096  0.72940378
   0.77864560  0.66806746  0.97488166
   0.54066589  0.64869370  0.89021171
   0.70031334  0.81088724  0.58105794
   0.54559739  0.85559997  0.38947783
   0.87756146  0.22069791  0.06841002
   0.98050086  0.37529660  0.35965251
   0.32941111  0.10341445  0.65186013
   0.24726715  0.77054554  0.77834492
   0.17565573  1.13721023  0.18080040
   0.22045017  1.09228668  0.04901720
   0.62633907  0.35681681  0.86401607
   0.92588649  0.46820848  0.68987565
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.977902   -0.015896   -0.154457
    -0.000000    9.720618    0.035942
    -0.000000    0.000000   14.000012
   Si   O    H 
    32    64    10
Direct configuration=  2442
   0.15595538  0.17477470 -0.02661196
   0.32052252  0.08937233  0.36722140
   0.14238810  0.42051751  0.10129014
   0.38981841  0.32027965  0.22673134
   0.05184867  0.14743804  0.49667639
   0.39708622  0.12744396  0.86012792
   0.11672166  0.39090438  0.62983700
   0.37314376  0.38792349  0.75515854
   0.13149428  0.69718271 -0.00475794
   0.39818627  0.57507320  0.35198365
   0.06713518  0.91458686  0.13873781
   0.31303561  0.82190081  0.24822564
   0.17096470  0.63413710  0.48161156
   0.37982541  0.63954745  0.87723718
   0.07874860  0.86996939  0.61342571
   0.35082128  0.96988954  0.68653693
   0.62890530  0.12272780  1.00125513
   0.82656098  0.11924017  0.34612769
   0.63186711  0.39328762  0.10608007
   0.87653188  0.28968315  0.16333368
   0.58984496  0.17917551  0.48388833
   0.88531266  0.08203892  0.88576761
   0.60977472  0.44458517  0.62273014
   0.75761697  0.34639722  0.80393900
   0.62515082  0.66043104 -0.00959979
   0.90426652  0.60452336  0.37278736
   0.57295119  0.88744183  0.12560301
   0.81644204  0.84614332  0.23877316
   0.64358036  0.67111554  0.46047069
   0.86938658  0.61301539  0.88465860
   0.62247645  0.92872591  0.62078096
   0.85150156  0.85754776  0.75542430
   0.09566194  0.07252417  0.16695049
   0.32992298  0.16930266  0.26091941
   0.12802796  0.33956587 -0.00463718
   0.37379760  0.41645685  0.32262269
   0.53195830  0.32051909  0.18395746
   0.29728446  0.37823828  0.13807973
   0.20142028  0.14336891  0.44066348
  -0.04561500  0.17614111  0.41261489
   0.01138687 -0.00213319  0.54386382
   0.45214844  0.25225889  0.79605329
   0.04685568  0.26987729  0.57108509
   0.33206009  0.47242232  0.85158219
   0.48004044  0.46749104  0.68922125
   0.25057334  0.32758003  0.68900853
   0.23367995  0.15942530 -0.12538402
   0.01521450  0.10816568  0.95233722
   0.12315869  0.58632615  0.08383207
   0.34927941  0.65596799  0.25334977
   0.10484838  0.85108677  0.03508132
   0.30885455  0.92007901  0.34686056
   0.42209046  0.88459314  0.17123737
   0.15901282  0.81835688  0.20835172
   0.31907780  0.64314893  0.43797680
   0.05666898  0.63054833  0.40396968
   0.16960570  0.49543780  0.55108148
   0.35223620  0.72395098  0.77722927
   0.14672271  0.76077026  0.54958165
   0.40367283  0.98352850  0.80058409
   0.47090090  0.87977520  0.63905687
   0.19834381  0.91144021  0.69027376
   0.28046725  0.68878584 -0.03727672
   0.02990337  0.64890064  0.91150099
   0.62765896  0.04074061  0.10124019
   0.84360266  0.16853052  0.23998907
   0.64461235  0.28927776  0.01964034
   0.89442193  0.43017783  0.36704679
   0.02543830  0.37106327  0.17393542
   0.77466346  0.41881291  0.15715663
   0.69397701  0.16877759  0.39473121
   0.44242161  0.11443806  0.44529833
   0.64155580  0.07735696  0.56992475
   0.83642911  0.19973012  0.80603755
   0.58579442  0.33091745  0.53274445
   0.85661671  0.45349403  0.86402290
   1.02397617  0.46311900  0.70345243
   0.74091738  0.41651633  0.69813543
   0.74523342  0.05590477  0.94017950
   0.47628207  0.10003396  0.96219826
   0.57233025  0.54760022  0.07082008
   0.84765564  0.68925546  0.27449725
   0.56397578  0.80286664  0.02553194
   0.82777314  0.94664124  0.33026912
   0.90789200  0.89146723  0.15104020
   0.65453865  0.81430136  0.20737031
   0.80551873  0.66046974  0.46008457
   0.56420519  0.60531212  0.36631056
   0.60124746  0.59555464  0.56108637
   0.82415570  0.69745475  0.79502362
   0.57612616  0.83090395  0.45494704
   0.94070153  0.93832507  0.83542483
   0.95203613  0.81339979  0.66702080
   0.71125246  0.93681396  0.72953518
   0.78057171  0.66830499  0.97584838
   0.54271873  0.64863395  0.89003883
   0.69936422  0.80893553  0.57964690
   0.54943994  0.85564216  0.38978404
   0.87543409  0.22074870  0.07064745
   0.97557699  0.36953554  0.35564868
   0.32807424  0.09489573  0.64447860
   0.25412289  0.76629121  0.77722754
   0.17259401  1.13528322  0.18752429
   0.21261569  1.09746211  0.04448540
   0.62737988  0.34903451  0.86392416
   0.92359846  0.46773860  0.69303351
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.977623   -0.014047   -0.150849
    -0.000000    9.718900    0.035175
    -0.000000    0.000000   13.999097
   Si   O    H 
    32    64    10
Direct configuration=  2443
   0.15571551  0.17525337 -0.02582276
   0.32234574  0.09064844  0.36718513
   0.14237425  0.42192226  0.10114649
   0.39004874  0.31868989  0.22650393
   0.05323383  0.14634449  0.49660161
   0.39609188  0.12743109  0.86000043
   0.11739251  0.39072568  0.62988949
   0.37271421  0.38787076  0.75470889
   0.13109906  0.69553608 -0.00441529
   0.40055388  0.57564500  0.35238308
   0.06833534  0.91376261  0.13952795
   0.31380609  0.81995503  0.24847338
   0.17296564  0.63371685  0.48147675
   0.38016246  0.63815886  0.87801511
   0.08114882  0.87118421  0.61272979
   0.35169101  0.97199691  0.68652650
   0.62863581  0.12240876  1.00066106
   0.82819327  0.11866369  0.34568712
   0.63189973  0.39321454  0.10610173
   0.87679718  0.28977441  0.16246374
   0.59121636  0.17880864  0.48355638
   0.88535480  0.08229357  0.88516872
   0.61114665  0.44497507  0.62286859
   0.75767341  0.34707040  0.80326025
   0.62444006  0.65989447 -0.00782559
   0.90234383  0.60483568  0.37160657
   0.57287828  0.88803510  0.12605233
   0.81558560  0.84582562  0.23825246
   0.64490301  0.67137328  0.46172571
   0.86862322  0.61264363  0.88442585
   0.62385865  0.92847577  0.62062284
   0.84996006  0.85658779  0.75573712
   0.09815215  0.07370696  0.16652976
   0.32952888  0.17099860  0.26158157
   0.13031735  0.33892174 -0.00498735
   0.37352254  0.41609343  0.32189802
   0.53085023  0.31939872  0.18337123
   0.29688787  0.37996029  0.13823730
   0.20095477  0.14508350  0.44062870
  -0.04607313  0.17525421  0.41260963
   0.00998046 -0.00346281  0.54352185
   0.45194946  0.25420979  0.79633795
   0.04686200  0.27140221  0.57032630
   0.33238762  0.47194721  0.85188528
   0.48012632  0.46609748  0.68925986
   0.24951551  0.32674168  0.68865516
   0.23398258  0.15823116 -0.12537001
   0.01337807  0.10805937  0.95223531
   0.12470926  0.58626503  0.08253296
   0.34834000  0.65553070  0.25296294
   0.10595329  0.85082238  0.03516909
   0.30855336  0.91909662  0.34570892
   0.42142340  0.88599255  0.17125497
   0.15884704  0.81829294  0.20883346
   0.31946194  0.64276712  0.43844459
   0.05697343  0.63205329  0.40371505
   0.17087144  0.49656084  0.55106810
   0.35097110  0.72614852  0.77617162
   0.14577078  0.76002097  0.55066401
   0.40261280  0.98411515  0.80023534
   0.47082233  0.88069718  0.64032139
   0.19768084  0.91031334  0.68914619
   0.28207779  0.68915370 -0.03812433
   0.02814365  0.64984189  0.91045177
   0.62727828  0.04141431  0.10150743
   0.84325955  0.16842214  0.24035466
   0.64707025  0.28934955  0.01998911
   0.89380060  0.43216768  0.36602113
   0.02376663  0.37278425  0.17508160
   0.77404847  0.41943694  0.15689635
   0.69385512  0.16884552  0.39309575
   0.44288949  0.11258561  0.44532697
   0.64201435  0.07816311  0.56949894
   0.83618714  0.19856136  0.80594215
   0.58708776  0.32903787  0.53404286
   0.85629174  0.45361829  0.86336344
   1.02509398  0.46246608  0.70224825
   0.73987355  0.41631160  0.69880293
   0.74436427  0.05520491  0.94049602
   0.47538599  0.10041148  0.96308857
   0.57120498  0.54565129  0.07090215
   0.84539732  0.69062203  0.27561445
   0.56552846  0.80131328  0.02651945
   0.82804030  0.94587940  0.33012881
   0.90726673  0.89194848  0.15024532
   0.65338754  0.81673609  0.20690289
   0.80529669  0.66089549  0.46097850
   0.56524728  0.60472939  0.36723485
   0.60159492  0.59648923  0.56031119
   0.82431956  0.69766277  0.79485403
   0.57611890  0.83119282  0.45521278
   0.94014145  0.94097468  0.83466340
   0.95181485  0.81337978  0.66630702
   0.71110579  0.93602632  0.72930792
   0.78342449  0.66826826  0.97676770
   0.54414853  0.64882074  0.88962270
   0.69562515  0.81370377  0.58232781
   0.55173787  0.85390372  0.39094769
   0.87209199  0.21996557  0.07179894
   0.96464862  0.37200553  0.35283969
   0.32966923  0.09986621  0.63413873
   0.26839678  0.75660128  0.77466568
   0.16272550  1.12448013  0.19476656
   0.21434777  1.09853867  0.04417480
   0.63340089  0.34271140  0.86050563
   0.92751350  0.46835964  0.69635573
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.977778   -0.012829   -0.147537
    -0.000000    9.716958    0.034146
    -0.000000    0.000000   13.998424
   Si   O    H 
    32    64    10
Direct configuration=  2444
   0.15514423  0.17576867 -0.02516883
   0.32330640  0.09219835  0.36663273
   0.14216612  0.42358540  0.10131775
   0.38948778  0.31755579  0.22659433
   0.05497506  0.14556158  0.49622634
   0.39508054  0.12746441  0.86014309
   0.11887809  0.39058768  0.63003764
   0.37218532  0.38742185  0.75430647
   0.13061959  0.69328566 -0.00429919
   0.40256653  0.57662270  0.35269925
   0.07002433  0.91373806  0.14006651
   0.31415657  0.81842292  0.24879318
   0.17423356  0.63283151  0.48160964
   0.38029108  0.63630085  0.87818457
   0.08293282  0.87286036  0.61185711
   0.35198708  0.97364196  0.68658859
   0.62840439  0.12301984  1.00011375
   0.82979360  0.11705735  0.34574542
   0.63133060  0.39330056  0.10600984
   0.87790863  0.28993069  0.16208015
   0.59192302  0.17777180  0.48301269
   0.88560193  0.08229356  0.88431502
   0.61216142  0.44556500  0.62269254
   0.75735468  0.34767027  0.80375655
   0.62380338  0.65943958 -0.00608222
   0.89985960  0.60433559  0.37071526
   0.57224956  0.88816459  0.12592590
   0.81554170  0.84556842  0.23715547
   0.64556751  0.67182598  0.46274548
   0.86816137  0.61214052  0.88421100
   0.62570827  0.92800097  0.62045292
   0.84909849  0.85558138  0.75558353
   0.09973208  0.07407771  0.16595387
   0.32851494  0.17283091  0.26238558
   0.13169351  0.33754947 -0.00458572
   0.37338122  0.41612379  0.32207084
   0.53058040  0.31778627  0.18318957
   0.29604293  0.38204403  0.13861670
   0.20022559  0.14652393  0.44042380
  -0.04648475  0.17393269  0.41273612
   0.00962866 -0.00467066  0.54349980
   0.45200418  0.25679217  0.79706133
   0.04689908  0.27283675  0.56998983
   0.33308219  0.47221519  0.85254363
   0.48013928  0.46462146  0.68922387
   0.24844879  0.32598634  0.68831824
   0.23486196  0.15693500 -0.12525500
   0.01105861  0.10785674  0.95234849
   0.12602544  0.58635945  0.08147542
   0.34801681  0.65534277  0.25262810
   0.10665443  0.84997285  0.03536807
   0.30780164  0.91866300  0.34411577
   0.41971889  0.88692193  0.17136398
   0.15859012  0.81825500  0.20936493
   0.31951586  0.64194010  0.43822587
   0.05770492  0.63323828  0.40366126
   0.17231482  0.49814143  0.55126441
   0.35087964  0.72699819  0.77515198
   0.14482034  0.75912657  0.55131230
   0.40200515  0.98484786  0.79984510
   0.47136796  0.88171219  0.64165203
   0.19717523  0.90932757  0.68804130
   0.28409601  0.68901822 -0.03932387
   0.02636127  0.65048980  0.90946250
   0.62749416  0.04205141  0.10219403
   0.84252999  0.16939129  0.24032618
   0.64953783  0.28851025  0.02062712
   0.89264383  0.43443255  0.36504635
   0.02183350  0.37357036  0.17550358
   0.77277350  0.42001760  0.15663789
   0.69388389  0.16876702  0.39217360
   0.44451410  0.11222851  0.44548682
   0.64188589  0.07816175  0.56921591
   0.83654854  0.19735433  0.80591857
   0.58820990  0.32779854  0.53528187
   0.85538559  0.45372197  0.86255533
   1.02557670  0.46073973  0.70188227
   0.73873247  0.41609223  0.69898170
   0.74394299  0.05468885  0.94048222
   0.47477393  0.09990607  0.96384874
   0.57010611  0.54402716  0.07101274
   0.84341912  0.69267548  0.27674945
   0.56698895  0.80014460  0.02754915
   0.82790175  0.94465874  0.33018642
   0.90670770  0.89221095  0.14945223
   0.65288069  0.81926099  0.20675182
   0.80554099  0.66077398  0.46120703
   0.56557674  0.60375645  0.36791490
   0.60194220  0.59693065  0.55997940
   0.82479480  0.69748675  0.79419805
   0.57629960  0.83134894  0.45577115
   0.93906800  0.94372109  0.83393909
   0.95159698  0.81270264  0.66547439
   0.71113861  0.93486930  0.72926153
   0.78620556  0.66771560  0.97755564
   0.54576091  0.64791423  0.88931388
   0.69302957  0.82010067  0.58409732
   0.55409034  0.85310384  0.38788997
   0.87006701  0.21954063  0.07303152
   0.96122184  0.37362284  0.34754850
   0.33493467  0.10413765  0.62362896
   0.25932230  0.75803172  0.77090141
   0.16161270  1.12054528  0.20608000
   0.22337360  1.09454535  0.04957212
   0.63830295  0.33424361  0.85693170
   0.93343444  0.46926284  0.69859387
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978099   -0.011453   -0.144877
    -0.000000    9.715160    0.032356
    -0.000000    0.000000   13.997730
   Si   O    H 
    32    64    10
Direct configuration=  2445
   0.15491120  0.17588657 -0.02450086
   0.32400226  0.09367633  0.36628737
   0.14246963  0.42456437  0.10167781
   0.38874995  0.31699318  0.22677809
   0.05703177  0.14525546  0.49575856
   0.39437660  0.12782427  0.86024437
   0.12069751  0.39051172  0.62980696
   0.37220182  0.38719765  0.75384365
   0.12965617  0.69132527 -0.00424269
   0.40444571  0.57752697  0.35307596
   0.07124208  0.91330070  0.14082930
   0.31423109  0.81753287  0.24891113
   0.17455684  0.63173707  0.48156998
   0.38077612  0.63468815  0.87789484
   0.08386530  0.87508778  0.61095187
   0.35157233  0.97521430  0.68639502
   0.62741305  0.12307268  0.99934200
   0.83201370  0.11575067  0.34628203
   0.63112916  0.39323477  0.10592415
   0.87920841  0.29078495  0.16150253
   0.59206302  0.17673097  0.48267947
   0.88540251  0.08224350  0.88313386
   0.61340545  0.44656549  0.62219161
   0.75758730  0.34861100  0.80471319
   0.62273108  0.65909082 -0.00451349
   0.89742483  0.60422325  0.37023456
   0.57165157  0.88820543  0.12588927
   0.81497960  0.84477092  0.23636205
   0.64591918  0.67243203  0.46344356
   0.86779758  0.61152067  0.88453383
   0.62754186  0.92759339  0.62060577
   0.84919633  0.85474459  0.75574323
   0.10059675  0.07426985  0.16503890
   0.32755102  0.17424006  0.26373330
   0.13377079  0.33639240 -0.00361449
   0.37320464  0.41557762  0.32284568
   0.53085979  0.31626726  0.18299395
   0.29521354  0.38375958  0.13922458
   0.19959902  0.14842597  0.44035257
  -0.04729805  0.17323151  0.41278070
   0.01006673 -0.00528634  0.54377838
   0.45233973  0.25838524  0.79798741
   0.04634943  0.27353551  0.56990832
   0.33470524  0.47221141  0.85292636
   0.48076240  0.46372429  0.68938169
   0.24826475  0.32546284  0.68777617
   0.23605873  0.15613465 -0.12532384
   0.00935729  0.10837566  0.95250738
   0.12758239  0.58616142  0.08110596
   0.34824850  0.65489541  0.25210223
   0.10671140  0.84865108  0.03540713
   0.30657374  0.91864789  0.34259117
   0.41819072  0.88755364  0.17163060
   0.15801167  0.81822451  0.20970134
   0.32011988  0.64052917  0.43789724
   0.05812430  0.63477424  0.40333724
   0.17418587  0.50010818  0.55059084
   0.35146238  0.72713980  0.77439162
   0.14534172  0.75726155  0.55083249
   0.40174895  0.98604882  0.79934785
   0.47173961  0.88304433  0.64283407
   0.19737604  0.90888549  0.68713122
   0.28603231  0.68958664 -0.04023978
   0.02523060  0.65181316  0.90922716
   0.62709662  0.04256224  0.10309703
   0.84160963  0.17100261  0.23968503
   0.65304124  0.28746337  0.02070214
   0.89056478  0.43716380  0.36371560
   0.02069626  0.37376749  0.17565003
   0.77192831  0.42170456  0.15769031
   0.69359695  0.16810446  0.39107396
   0.44685464  0.11189864  0.44571731
   0.64107039  0.07911747  0.56844327
   0.83755633  0.19654926  0.80602509
   0.58901898  0.32703562  0.53609865
   0.85428090  0.45428618  0.86217815
   1.02641392  0.45897970  0.70205827
   0.73812313  0.41576471  0.69845211
   0.74324211  0.05424275  0.94008847
   0.47445603  0.09870477  0.96387754
   0.56927940  0.54263862  0.07092704
   0.84210376  0.69401297  0.27827580
   0.56780196  0.80010818  0.02890437
   0.82674680  0.94397071  0.33004665
   0.90608152  0.89202139  0.14928055
   0.65329923  0.82074975  0.20743581
   0.80658208  0.66109245  0.46105826
   0.56610113  0.60261147  0.36834659
   0.60228885  0.59831450  0.56004199
   0.82532642  0.69732395  0.79334845
   0.57661398  0.83168731  0.45578915
   0.93732145  0.94620525  0.83308248
   0.95142025  0.81197786  0.66488439
   0.71115014  0.93400491  0.72913415
   0.78894534  0.66715621  0.97811753
   0.54784229  0.64694990  0.88911863
   0.69265962  0.82095176  0.58475086
   0.55458303  0.85264779  0.38767811
   0.86960150  0.21764435  0.07151118
   0.96359398  0.37155015  0.34036857
   0.34323619  0.10670010  0.61713348
   0.24954661  0.75677178  0.76618865
   0.16649059  1.11719870  0.21712938
   0.23459416  1.09282775  0.05435266
   0.63946011  0.32863204  0.85546254
   0.92998392  0.47317436  0.69876147
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978425   -0.010521   -0.142167
    -0.000000    9.713084    0.030765
    -0.000000    0.000000   13.997261
   Si   O    H 
    32    64    10
Direct configuration=  2446
   0.15475831  0.17620913 -0.02409802
   0.32467653  0.09425870  0.36620628
   0.14276120  0.42515577  0.10207708
   0.38810083  0.31729512  0.22670020
   0.05944503  0.14490723  0.49570518
   0.39387414  0.12806008  0.86085377
   0.12247268  0.39038399  0.62929933
   0.37205540  0.38687720  0.75352213
   0.12889925  0.68970339 -0.00412333
   0.40628365  0.57850467  0.35328566
   0.07210247  0.91303194  0.14145312
   0.31419501  0.81709775  0.24908177
   0.17457312  0.63147769  0.48157025
   0.38154904  0.63404226  0.87694155
   0.08373661  0.87685999  0.61048792
   0.35130324  0.97670039  0.68614995
   0.62649705  0.12219348  0.99855886
   0.83366981  0.11428446  0.34661421
   0.63087932  0.39372897  0.10604282
   0.88073316  0.29119506  0.16110000
   0.59220362  0.17605675  0.48237688
   0.88510953  0.08236236  0.88226491
   0.61433914  0.44700209  0.62164813
   0.75804503  0.34919810  0.80565153
   0.62163833  0.65851635 -0.00308814
   0.89514969  0.60482284  0.36958587
   0.57043255  0.88901148  0.12584506
   0.81415829  0.84382742  0.23641588
   0.64639803  0.67332561  0.46418216
   0.86820667  0.61086042  0.88469083
   0.62896645  0.92759842  0.62085118
   0.84908936  0.85382907  0.75548710
   0.10109623  0.07445374  0.16446389
   0.32627009  0.17500090  0.26468043
   0.13581101  0.33673982 -0.00288998
   0.37290205  0.41513991  0.32361108
   0.53208761  0.31513560  0.18281753
   0.29454739  0.38541129  0.14036556
   0.19901920  0.15076047  0.44062787
  -0.04780470  0.17208554  0.41274960
   0.01097774 -0.00431202  0.54451849
   0.45224951  0.25864655  0.79869397
   0.04624433  0.27361238  0.56994139
   0.33720236  0.47181409  0.85291003
   0.48197029  0.46285903  0.68931507
   0.24792042  0.32532139  0.68699051
   0.23766910  0.15541479 -0.12559508
   0.00812675  0.10990185  0.95257941
   0.12775193  0.58583806  0.08100754
   0.34810514  0.65404766  0.25234266
   0.10610061  0.84687836  0.03589720
   0.30546575  0.91939178  0.34140076
   0.41649747  0.88813479  0.17172294
   0.15777590  0.81760763  0.21043564
   0.32110826  0.63932154  0.43768331
   0.05778313  0.63603911  0.40274188
   0.17572724  0.50152921  0.55067783
   0.35141737  0.72815848  0.77365691
   0.14528846  0.75528535  0.55006297
   0.40151033  0.98728532  0.79888578
   0.47129184  0.88430385  0.64335819
   0.19742482  0.90852650  0.68649205
   0.28791503  0.69057567 -0.04163983
   0.02404054  0.65295730  0.90932067
   0.62637657  0.04321680  0.10440821
   0.84063215  0.17256558  0.23890702
   0.65563335  0.28654823  0.02051691
   0.88845333  0.43858035  0.36331914
   0.02086808  0.37370413  0.17595541
   0.77103146  0.42267814  0.15861725
   0.69261927  0.16760605  0.39017508
   0.44983706  0.11187266  0.44602450
   0.64018450  0.07925846  0.56824289
   0.83852743  0.19661112  0.80606969
   0.58997401  0.32675184  0.53653161
   0.85381653  0.45434408  0.86214782
   1.02577602  0.45703796  0.70302259
   0.73749924  0.41660364  0.69733062
   0.74268882  0.05411963  0.93975955
   0.47434074  0.09705399  0.96373181
   0.56867968  0.54140582  0.07038644
   0.84114856  0.69431772  0.27993085
   0.56924335  0.80122500  0.03024927
   0.82511171  0.94432639  0.32995819
   0.90600712  0.89207838  0.14943671
   0.65424986  0.82198210  0.20832441
   0.80788718  0.66073422  0.46125289
   0.56726617  0.60234516  0.36873066
   0.60224306  0.59855733  0.56066748
   0.82571152  0.69730623  0.79224470
   0.57736973  0.83203442  0.45549154
   0.93575701  0.94866804  0.83212263
   0.95118006  0.81207532  0.66481822
   0.71087484  0.93304547  0.72852636
   0.79056924  0.66565805  0.97845374
   0.54986103  0.64542299  0.88897964
   0.69783512  0.81715139  0.58596822
   0.55598572  0.85360310  0.39198013
   0.87192790  0.21454745  0.07080041
   0.95659231  0.37982790  0.33737963
   0.35264639  0.10756444  0.61333296
   0.25261776  0.75278468  0.76365326
   0.16513530  1.10931153  0.22107502
   0.24328386  1.09476684  0.05556355
   0.63336083  0.32420369  0.85425935
   0.92795363  0.48049441  0.69751444
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979001   -0.009518   -0.139258
    -0.000000    9.710408    0.029105
    -0.000000    0.000000   13.996692
   Si   O    H 
    32    64    10
Direct configuration=  2447
   0.15454847  0.17654404 -0.02402239
   0.32485845  0.09471960  0.36685244
   0.14266927  0.42611817  0.10204564
   0.38730244  0.31834123  0.22674571
   0.06163706  0.14386594  0.49587364
   0.39373976  0.12830803  0.86093227
   0.12407632  0.39070930  0.62853793
   0.37183494  0.38661688  0.75307085
   0.12861634  0.68873399 -0.00417271
   0.40763119  0.57968077  0.35323290
   0.07304923  0.91214496  0.14200569
   0.31438342  0.81733999  0.24853871
   0.17451225  0.63096789  0.48166134
   0.38177930  0.63363480  0.87592351
   0.08280513  0.87860364  0.60982931
   0.35138925  0.97824645  0.68609019
   0.62540213  0.12115309  0.99781097
   0.83453920  0.11271971  0.34664828
   0.63045608  0.39413418  0.10623149
   0.88171875  0.29158097  0.16106596
   0.59266888  0.17553066  0.48232643
   0.88538348  0.08308491  0.88141120
   0.61446107  0.44719267  0.62113495
   0.75855616  0.34966507  0.80622184
   0.62058221  0.65791199 -0.00233716
   0.89298998  0.60529306  0.36939138
   0.56887827  0.88977580  0.12600338
   0.81248605  0.84267214  0.23608440
   0.64716277  0.67413662  0.46469941
   0.86875576  0.61083312  0.88450696
   0.63046955  0.92774182  0.62128871
   0.84905720  0.85302251  0.75543306
   0.10242029  0.07474974  0.16461296
   0.32520837  0.17551609  0.26578160
   0.13781536  0.33748095 -0.00111051
   0.37363359  0.41505701  0.32447010
   0.53399397  0.31342517  0.18265815
   0.29374366  0.38704191  0.14196835
   0.19880094  0.15235738  0.44041559
  -0.04930575  0.17122446  0.41233083
   0.01272380 -0.00420476  0.54457548
   0.45160620  0.25760096  0.79901310
   0.04654093  0.27327144  0.57008323
   0.33911824  0.47171097  0.85276225
   0.48375336  0.46209274  0.68914465
   0.24771279  0.32586769  0.68654700
   0.23913830  0.15510307 -0.12539704
   0.00777931  0.11153300  0.95306077
   0.12805209  0.58575268  0.08085278
   0.34822072  0.65359070  0.25266132
   0.10560327  0.84504751  0.03622786
   0.30484695  0.92061212  0.34042320
   0.41546470  0.88972306  0.17215392
   0.15802481  0.81761940  0.21088011
   0.32176998  0.63978092  0.43762495
   0.05705096  0.63696360  0.40207970
   0.17701656  0.50235646  0.55067207
   0.35115902  0.72855259  0.77328172
   0.14573318  0.75308852  0.54939532
   0.40132751  0.98791146  0.79846854
   0.47134122  0.88610906  0.64372276
   0.19835601  0.90902718  0.68613208
   0.28965624  0.69129837 -0.04275371
   0.02348230  0.65416808  0.90950345
   0.62507258  0.04413432  0.10512146
   0.84086380  0.17466122  0.23782493
   0.65863318  0.28507522  0.01990666
   0.88645094  0.44102537  0.36268535
   0.02176924  0.37437830  0.17582567
   0.77061499  0.42286033  0.15951018
   0.69170168  0.16724648  0.38946377
   0.45243696  0.11138708  0.44533238
   0.64005589  0.07892778  0.56859312
   0.83861470  0.19765543  0.80560845
   0.59140728  0.32721470  0.53657138
   0.85281773  0.45403919  0.86263250
   1.02473355  0.45617588  0.70406814
   0.73688325  0.41855913  0.69608952
   0.74217217  0.05294274  0.93970881
   0.47505292  0.09526734  0.96347302
   0.56822609  0.54028711  0.07023039
   0.84101395  0.69293868  0.28190204
   0.57015291  0.80263953  0.03217208
   0.82346479  0.94652698  0.33013350
   0.90674772  0.89241950  0.14979776
   0.65539957  0.82308616  0.20912221
   0.80889401  0.66065693  0.46167722
   0.56786934  0.60138122  0.36915975
   0.60295365  0.59848754  0.56203270
   0.82614037  0.69737361  0.79074082
   0.57864716  0.83227347  0.45577266
   0.93418192  0.95074739  0.83118308
   0.95096406  0.81257300  0.66492625
   0.71060931  0.93236597  0.72834113
   0.79189295  0.66433260  0.97952016
   0.55116930  0.64362853  0.88893749
   0.70473863  0.80510599  0.58323818
   0.55520727  0.85718786  0.39169532
   0.87700517  0.21355757  0.06840508
   0.95436774  0.38924607  0.33331177
   0.36253402  0.10416488  0.61713998
   0.26645225  0.74695688  0.76307886
   0.15732853  1.09688131  0.21592147
   0.24725263  1.10136078  0.05510434
   0.62948326  0.32097127  0.85269164
   0.93141710  0.48683861  0.69726499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979285   -0.008660   -0.136373
    -0.000000    9.707630    0.027478
    -0.000000    0.000000   13.996416
   Si   O    H 
    32    64    10
Direct configuration=  2448
   0.15486758  0.17653391 -0.02404021
   0.32447923  0.09482388  0.36793360
   0.14290642  0.42701863  0.10194145
   0.38652345  0.32029100  0.22656742
   0.06372628  0.14330412  0.49611992
   0.39361158  0.12818696  0.86152965
   0.12559267  0.39107641  0.62769546
   0.37186956  0.38656529  0.75250099
   0.12864125  0.68808527 -0.00407610
   0.40835651  0.57997495  0.35296221
   0.07315974  0.91098355  0.14210621
   0.31425444  0.81768907  0.24802135
   0.17452862  0.63030137  0.48215032
   0.38192179  0.63339229  0.87454180
   0.08130496  0.87965668  0.60922739
   0.35123943  0.97949530  0.68601368
   0.62477360  0.12018539  0.99805883
   0.83477521  0.11134313  0.34681904
   0.62930613  0.39485071  0.10665896
   0.88226418  0.29163638  0.16122210
   0.59333851  0.17505505  0.48227636
   0.88541366  0.08377139  0.88073898
   0.61444740  0.44725620  0.62028890
   0.75922015  0.34939441  0.80649388
   0.62016071  0.65758310 -0.00166728
   0.89171252  0.60514462  0.36967134
   0.56752753  0.89061026  0.12633066
   0.81092630  0.84179806  0.23560861
   0.64800949  0.67504930  0.46496058
   0.86886717  0.61110735  0.88459882
   0.63141556  0.92804401  0.62162986
   0.84863495  0.85299949  0.75522512
   0.10311545  0.07473110  0.16433517
   0.32425870  0.17562649  0.26694262
   0.13986905  0.33796964  0.00055015
   0.37539741  0.41512109  0.32475373
   0.53679418  0.31111301  0.18231307
   0.29253172  0.38886746  0.14366912
   0.19970165  0.15369326  0.43962334
  -0.05083226  0.17037462  0.41137299
   0.01379500 -0.00320604  0.54472199
   0.45057432  0.25683060  0.79887410
   0.04676146  0.27264093  0.57006271
   0.34149170  0.47159901  0.85268656
   0.48497447  0.46116020  0.68895477
   0.24762396  0.32608679  0.68659421
   0.24066132  0.15575714 -0.12492492
   0.00698214  0.11287813  0.95341258
   0.12811829  0.58535092  0.08154188
   0.34867579  0.65289450  0.25311174
   0.10523546  0.84382490  0.03615102
   0.30398608  0.92264375  0.34004240
   0.41385314  0.89109591  0.17258874
   0.15804962  0.81742731  0.21095199
   0.32236543  0.64043434  0.43741148
   0.05539141  0.63740587  0.40097406
   0.17921583  0.50227059  0.55110211
   0.35173501  0.72899183  0.77345510
   0.14504979  0.75136988  0.54895954
   0.40117475  0.98903379  0.79808912
   0.47135107  0.88867984  0.64454951
   0.19935096  0.90952618  0.68596998
   0.29029653  0.69172106 -0.04278098
   0.02264622  0.65480011  0.91027711
   0.62372895  0.04529437  0.10567250
   0.84120182  0.17654497  0.23679368
   0.66141042  0.28367997  0.01951235
   0.88430053  0.44362288  0.36174118
   0.02296157  0.37486388  0.17556265
   0.76986787  0.42224237  0.16017608
   0.69084714  0.16683068  0.38951606
   0.45526907  0.11144019  0.44422818
   0.64034381  0.07905008  0.56889211
   0.83903584  0.19920490  0.80480881
   0.59179720  0.32705189  0.53664117
   0.85115372  0.45274068  0.86291576
   1.02310636  0.45549549  0.70535853
   0.73568429  0.42050428  0.69549955
   0.74188152  0.05155498  0.93932075
   0.47526093  0.09397301  0.96236448
   0.56772697  0.53938269  0.07002429
   0.84112949  0.69207335  0.28342916
   0.57095456  0.80382678  0.03350667
   0.82203836  0.94862188  0.33045732
   0.90764324  0.89279195  0.15056703
   0.65723075  0.82408708  0.20981097
   0.81010634  0.66056881  0.46203537
   0.56906771  0.60046149  0.36994895
   0.60322319  0.59839778  0.56342770
   0.82559859  0.69719276  0.78950552
   0.58057373  0.83248337  0.45661257
   0.93277251  0.95193920  0.82984349
   0.95070149  0.81286436  0.66484405
   0.70995627  0.93166039  0.72795841
   0.79199274  0.66305263  0.98079580
   0.55154406  0.64137286  0.88912023
   0.70981683  0.79672160  0.58147029
   0.55343924  0.86163055  0.38720029
   0.88220477  0.21564543  0.06869655
   0.95814115  0.39448158  0.32806435
   0.37092802  0.09741059  0.62382022
   0.25345139  0.74845800  0.75936131
   0.15657843  1.08947229  0.21642677
   0.24449733  1.10908328  0.04908804
   0.62746881  0.31884670  0.85010520
   0.93820706  0.49155166  0.69420350
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979749   -0.007792   -0.134102
    -0.000000    9.704975    0.026215
    -0.000000    0.000000   13.996119
   Si   O    H 
    32    64    10
Direct configuration=  2449
   0.15538773  0.17651646 -0.02405658
   0.32373466  0.09443697  0.36914108
   0.14359707  0.42750455  0.10206185
   0.38542889  0.32279348  0.22642686
   0.06474864  0.14338755  0.49666202
   0.39327900  0.12785976  0.86188551
   0.12735145  0.39101766  0.62713295
   0.37213825  0.38611144  0.75170664
   0.12875857  0.68750426 -0.00386236
   0.40910048  0.58021268  0.35254437
   0.07243583  0.91028030  0.14221071
   0.31391683  0.81810562  0.24780709
   0.17364493  0.62996189  0.48226266
   0.38205180  0.63324160  0.87278191
   0.08008650  0.88042295  0.60877866
   0.35104645  0.98036702  0.68588371
   0.62460105  0.11972615  0.99910175
   0.83395301  0.11016705  0.34671274
   0.62863559  0.39514575  0.10686632
   0.88303921  0.29168243  0.16134703
   0.59432347  0.17444921  0.48203338
   0.88523359  0.08439092  0.88049486
   0.61408042  0.44794368  0.61952129
   0.75929317  0.34838389  0.80657624
   0.62019479  0.65647151 -0.00163037
   0.89103991  0.60493843  0.36975152
   0.56581564  0.89150593  0.12656294
   0.80912047  0.84157701  0.23541690
   0.64819678  0.67523624  0.46539668
   0.86897493  0.61167653  0.88512839
   0.63207905  0.92822624  0.62209484
   0.84875587  0.85284385  0.75498153
   0.10359115  0.07384497  0.16354651
   0.32285291  0.17642643  0.26817052
   0.14100468  0.33903345  0.00165434
   0.37635682  0.41515625  0.32498517
   0.53834472  0.30806544  0.18270499
   0.29154037  0.39049649  0.14538977
   0.20159799  0.15394473  0.43853876
  -0.05089663  0.16922782  0.41114342
   0.01513893 -0.00234254  0.54510299
   0.44910077  0.25634995  0.79897971
   0.04668636  0.27203941  0.57013919
   0.34402110  0.47117840  0.85236280
   0.48568161  0.45944602  0.68903758
   0.24757076  0.32579166  0.68648427
   0.24116820  0.15693408 -0.12357336
   0.00767802  0.11401836  0.95401318
   0.12835399  0.58448389  0.08239306
   0.34918090  0.65284286  0.25345956
   0.10445288  0.84303782  0.03610208
   0.30364045  0.92480640  0.33908117
   0.41240160  0.89249779  0.17311384
   0.15923346  0.81694737  0.21100067
   0.32274071  0.64063646  0.43742353
   0.05361484  0.63712397  0.39978394
   0.18126406  0.50208277  0.55169403
   0.35189227  0.72907821  0.77411012
   0.14487154  0.75040529  0.54909109
   0.40179528  0.99090641  0.79801280
   0.47185876  0.89012888  0.64527414
   0.20081869  0.91050217  0.68599953
   0.29065302  0.69248770 -0.04258176
   0.02162334  0.65419468  0.91088564
   0.62287684  0.04640744  0.10609809
   0.84189802  0.17801768  0.23624913
   0.66367578  0.28389752  0.01930070
   0.88231498  0.44556411  0.36081119
   0.02438010  0.37521707  0.17546297
   0.76959172  0.42137475  0.16022220
   0.69035489  0.16676430  0.39030555
   0.45845418  0.11241554  0.44305537
   0.64101370  0.07889643  0.56945432
   0.84007344  0.20092101  0.80454976
   0.59246819  0.32729470  0.53691692
   0.84998936  0.45157609  0.86367114
   1.02287681  0.45418046  0.70665408
   0.73496434  0.42195404  0.69555408
   0.74293259  0.04999047  0.93903717
   0.47537715  0.09307567  0.96146476
   0.56719744  0.53772939  0.07023954
   0.84146340  0.69150228  0.28387208
   0.57112770  0.80437358  0.03500561
   0.82132961  0.95036248  0.33033121
   0.90848694  0.89343922  0.15111494
   0.65894869  0.82468906  0.21008994
   0.81132691  0.66026707  0.46288671
   0.57016009  0.59917461  0.37076921
   0.60268581  0.59825362  0.56458295
   0.82486830  0.69690366  0.78885311
   0.58166778  0.83287543  0.45643787
   0.93135563  0.95260087  0.82874363
   0.95079183  0.81216558  0.66564504
   0.70877465  0.93133975  0.72732095
   0.79148934  0.66097927  0.98240370
   0.55065933  0.63952865  0.88970090
   0.71185379  0.79692154  0.58178499
   0.55627437  0.86159622  0.39043104
   0.88835667  0.21812988  0.07135951
   0.95682908  0.40037683  0.32542868
   0.37653368  0.09742648  0.62907909
   0.24899968  0.74677731  0.75664353
   0.16612450  1.08652736  0.22367831
   0.24136529  1.11920691  0.04275592
   0.62770947  0.32352220  0.84475545
   0.93190198  0.49744408  0.68956278
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979908   -0.007099   -0.131954
    -0.000000    9.701928    0.024203
    -0.000000    0.000000   13.995588
   Si   O    H 
    32    64    10
Direct configuration=  2450
   0.15574302  0.17645071 -0.02421124
   0.32241188  0.09370092  0.37047755
   0.14369256  0.42792000  0.10216358
   0.38409554  0.32501468  0.22644860
   0.06516425  0.14333522  0.49687045
   0.39326785  0.12773865  0.86251772
   0.12888156  0.39099748  0.62666680
   0.37271475  0.38570722  0.75141713
   0.12901207  0.68664132 -0.00426454
   0.41031867  0.57958048  0.35202763
   0.07116846  0.90968744  0.14220818
   0.31345246  0.81868693  0.24750323
   0.17284276  0.62958206  0.48195573
   0.38250208  0.63284158  0.87108149
   0.07891412  0.88131757  0.60848763
   0.35148645  0.98048974  0.68605416
   0.62401778  0.11942348  1.00010205
   0.83274126  0.11029863  0.34678938
   0.62797023  0.39535586  0.10731134
   0.88369946  0.29194794  0.16159917
   0.59500623  0.17438872  0.48144475
   0.88493741  0.08492556  0.88098271
   0.61424302  0.44870319  0.61862016
   0.75873710  0.34731082  0.80675577
   0.62048442  0.65527061 -0.00185587
   0.89090778  0.60477685  0.37034118
   0.56374215  0.89246917  0.12743087
   0.80772026  0.84131683  0.23534696
   0.64851341  0.67514273  0.46626717
   0.86853411  0.61195966  0.88532306
   0.63223305  0.92776362  0.62256737
   0.84870973  0.85199480  0.75442180
   0.10375113  0.07242376  0.16332566
   0.32148938  0.17738258  0.26870513
   0.14193606  0.34018973  0.00247282
   0.37774868  0.41486278  0.32514358
   0.53884002  0.30520874  0.18307466
   0.29048341  0.39138999  0.14700672
   0.20360340  0.15405337  0.43754751
  -0.05054414  0.16814663  0.41131263
   0.01662503 -0.00175559  0.54459077
   0.44738175  0.25584040  0.79900224
   0.04603354  0.27081092  0.57001389
   0.34579808  0.46982645  0.85150901
   0.48678570  0.45787888  0.68906056
   0.24770522  0.32614387  0.68617985
   0.24112189  0.15768104 -0.12264181
   0.00802607  0.11607743  0.95455307
   0.12750291  0.58388345  0.08331693
   0.34995163  0.65338115  0.25387520
   0.10326888  0.84305861  0.03637588
   0.30392989  0.92689566  0.33762323
   0.41181176  0.89375604  0.17360947
   0.16071815  0.81589471  0.21118311
   0.32293948  0.64146418  0.43743207
   0.05120162  0.63770495  0.39831575
   0.18355533  0.50086339  0.55243881
   0.35072649  0.72833443  0.77498989
   0.14402357  0.75050993  0.54938679
   0.40326817  0.99309218  0.79753954
   0.47289685  0.89093585  0.64513354
   0.20243468  0.91129002  0.68564793
   0.29086411  0.69305999 -0.04292174
   0.02064156  0.65391109  0.91189886
   0.62241839  0.04668144  0.10667536
   0.84219891  0.17896930  0.23595762
   0.66606753  0.28458003  0.01858528
   0.87989190  0.44590203  0.36000929
   0.02598939  0.37516686  0.17550905
   0.77027523  0.42063634  0.15959104
   0.69015396  0.16630862  0.39116443
   0.46071805  0.11313115  0.44195530
   0.64298474  0.07769977  0.57046924
   0.84127135  0.20311965  0.80459896
   0.59333857  0.32754838  0.53752547
   0.84937516  0.45100835  0.86469342
   1.02202454  0.45358994  0.70728619
   0.73432367  0.42288543  0.69625434
   0.74400056  0.04866183  0.93853907
   0.47616565  0.09287685  0.96039745
   0.56619439  0.53642248  0.07013559
   0.84220650  0.69128879  0.28389778
   0.57091799  0.80405658  0.03575823
   0.82046472  0.95158953  0.32968951
   0.90986671  0.89516182  0.15210067
   0.66051537  0.82500782  0.21066804
   0.81269183  0.66061160  0.46306620
   0.57127969  0.59792394  0.37224204
   0.60246158  0.59834076  0.56559492
   0.82430699  0.69653440  0.78841658
   0.58303060  0.83416500  0.45545376
   0.93058520  0.95244739  0.82773720
   0.95094430  0.81167387  0.66665035
   0.70848086  0.93071466  0.72676953
   0.78991180  0.65925809  0.98362038
   0.54977720  0.63808582  0.89107479
   0.71374046  0.80676181  0.58252149
   0.56387310  0.85928226  0.39636618
   0.89244802  0.22062953  0.07325843
   0.95269514  0.40461848  0.32491582
   0.37722891  0.10300249  0.63184411
   0.25704403  0.74241616  0.75547122
   0.17363138  1.08527732  0.22370093
   0.24031962  1.12313396  0.04100382
   0.62817523  0.33222744  0.84001479
   0.93041779  0.49857551  0.68548042
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980091   -0.006817   -0.129351
    -0.000000    9.698925    0.021692
    -0.000000    0.000000   13.995678
   Si   O    H 
    32    64    10
Direct configuration=  2451
   0.15573367  0.17715161 -0.02450405
   0.32133288  0.09324683  0.37171624
   0.14397793  0.42787441  0.10203633
   0.38302837  0.32662226  0.22678212
   0.06507735  0.14299559  0.49659523
   0.39349251  0.12743391  0.86306164
   0.13004539  0.39099326  0.62625606
   0.37344439  0.38507272  0.75104315
   0.12988159  0.68553359 -0.00460510
   0.41137486  0.57840587  0.35172565
   0.06975203  0.90885222  0.14213171
   0.31286392  0.81947416  0.24740790
   0.17217332  0.62887744  0.48171262
   0.38206392  0.63274853  0.86953594
   0.07812394  0.88171398  0.60774149
   0.35202604  0.98043483  0.68595146
   0.62306401  0.11969240  1.00099363
   0.83154094  0.11041151  0.34682311
   0.62675284  0.39542320  0.10764152
   0.88487411  0.29235848  0.16181410
   0.59554007  0.17413793  0.48136988
   0.88417481  0.08555199  0.88127955
   0.61447163  0.44894848  0.61783857
   0.75797716  0.34617839  0.80633693
   0.61985518  0.65425181 -0.00152352
   0.89088291  0.60433603  0.37077978
   0.56179485  0.89278421  0.12880028
   0.80702748  0.84095525  0.23544034
   0.64837657  0.67544247  0.46710962
   0.86744990  0.61208849  0.88520929
   0.63156991  0.92743411  0.62287933
   0.84903660  0.85126541  0.75378895
   0.10456871  0.06986414  0.16328132
   0.31943534  0.17817623  0.26983913
   0.14227073  0.34123925  0.00253163
   0.37912216  0.41490046  0.32575664
   0.53804931  0.30272278  0.18337325
   0.28914038  0.39247842  0.14826073
   0.20620725  0.15379893  0.43626236
  -0.05063197  0.16722165  0.41216312
   0.01847227 -0.00094179  0.54368379
   0.44584733  0.25475984  0.79848721
   0.04625582  0.26970499  0.56951360
   0.34746732  0.46876762  0.85012199
   0.48883679  0.45650752  0.68968929
   0.24778346  0.32579856  0.68584521
   0.24071385  0.15901457 -0.12139637
   0.00877294  0.11714232  0.95477034
   0.12648591  0.58361727  0.08421941
   0.35089596  0.65414497  0.25395818
   0.10147131  0.84323815  0.03665087
   0.30510125  0.92855138  0.33640944
   0.41136020  0.89453920  0.17406145
   0.16283111  0.81520604  0.21122743
   0.32239274  0.64198127  0.43763223
   0.04856767  0.63863867  0.39702142
   0.18583278  0.49925820  0.55331574
   0.34955979  0.72694461  0.77563982
   0.14369306  0.75166017  0.55053038
   0.40445451  0.99536352  0.79668971
   0.47473276  0.89123423  0.64489033
   0.20452607  0.91217493  0.68538985
   0.29114787  0.69340045 -0.04364178
   0.02011362  0.65371356  0.91227624
   0.62233755  0.04652852  0.10720512
   0.84272590  0.17981815  0.23595891
   0.66867927  0.28472581  0.01776608
   0.87690640  0.44536928  0.35965733
   0.02882945  0.37576370  0.17555726
   0.77157182  0.42045427  0.15902518
   0.69007172  0.16592773  0.39201307
   0.46224394  0.11302894  0.44066602
   0.64488375  0.07666583  0.57145956
   0.84321173  0.20640252  0.80458707
   0.59394995  0.32732841  0.53766983
   0.84906365  0.45038891  0.86636985
   1.02108398  0.45351665  0.70720108
   0.73420121  0.42314524  0.69660733
   0.74503397  0.04805884  0.93797734
   0.47648004  0.09260060  0.95924147
   0.56563564  0.53535825  0.07041316
   0.84226860  0.69112493  0.28357192
   0.57078680  0.80310235  0.03583147
   0.81929431  0.95189576  0.32891197
   0.91144565  0.89574687  0.15304662
   0.66120353  0.82561645  0.21099678
   0.81381550  0.66019325  0.46329437
   0.57221584  0.59659459  0.37391065
   0.60147017  0.59780430  0.56634436
   0.82380973  0.69611068  0.78801428
   0.58440849  0.83431093  0.45502315
   0.93011204  0.95215229  0.82637977
   0.95080720  0.81200019  0.66771015
   0.70849633  0.93043999  0.72658205
   0.78710960  0.65698315  0.98468736
   0.54956125  0.63720921  0.89276063
   0.71087270  0.81504577  0.58263262
   0.56533614  0.86200260  0.38609569
   0.89901678  0.22267555  0.07433973
   0.94750181  0.40319799  0.32375773
   0.37490814  0.11143249  0.63421474
   0.26694628  0.73994272  0.75613957
   0.17103613  1.08437042  0.21684904
   0.24885936  1.12092786  0.04421000
   0.62192795  0.34279899  0.83867563
   0.93667127  0.49376253  0.68301826
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980196   -0.006410   -0.126952
    -0.000000    9.696382    0.019477
    -0.000000    0.000000   13.995830
   Si   O    H 
    32    64    10
Direct configuration=  2452
   0.15580399  0.17798830 -0.02485834
   0.32043246  0.09356901  0.37302829
   0.14446246  0.42759143  0.10217576
   0.38239478  0.32846570  0.22736826
   0.06508834  0.14313045  0.49652825
   0.39388389  0.12651986  0.86345320
   0.13026811  0.39080945  0.62554983
   0.37436369  0.38453890  0.75062733
   0.13131014  0.68482091 -0.00467134
   0.41229081  0.57739988  0.35148736
   0.06872170  0.90818808  0.14175685
   0.31304660  0.82027226  0.24713061
   0.17148233  0.62833549  0.48143305
   0.38161337  0.63268462  0.86806317
   0.07719293  0.88172083  0.60717481
   0.35227530  0.98047297  0.68600169
   0.62225311  0.11999803  1.00223961
   0.83002178  0.11086280  0.34676182
   0.62524805  0.39506386  0.10795109
   0.88557921  0.29273562  0.16186820
   0.59582212  0.17421852  0.48195000
   0.88329908  0.08638162  0.88208051
   0.61468423  0.44892400  0.61707819
   0.75735090  0.34542686  0.80574542
   0.61892154  0.65348481 -0.00090823
   0.89042922  0.60414438  0.37119363
   0.55969185  0.89336352  0.13028375
   0.80703854  0.84039713  0.23558588
   0.64817282  0.67581914  0.46739427
   0.86561665  0.61269860  0.88514162
   0.63107981  0.92715162  0.62262101
   0.84927348  0.85079015  0.75284154
   0.10513194  0.06824979  0.16304608
   0.31780663  0.17889742  0.27091899
   0.14276691  0.34243969  0.00228442
   0.38052723  0.41497805  0.32552352
   0.53644684  0.30056538  0.18359870
   0.28789397  0.39341865  0.14963793
   0.20785499  0.15278772  0.43453223
  -0.05084522  0.16579427  0.41248581
   0.02051948  0.00043104  0.54272300
   0.44419815  0.25382675  0.79770267
   0.04661058  0.26881700  0.56881222
   0.34865969  0.46798500  0.84901112
   0.49097085  0.45566364  0.68985362
   0.24779674  0.32573261  0.68556544
   0.23948599  0.16034777 -0.12016166
   0.00934045  0.11828189  0.95516370
   0.12569485  0.58405795  0.08481946
   0.35230826  0.65516813  0.25421544
   0.09975837  0.84285383  0.03703798
   0.30590931  0.93052035  0.33553359
   0.41113297  0.89538781  0.17478744
   0.16511334  0.81394944  0.21116033
   0.32240329  0.64183854  0.43821310
   0.04637073  0.63883964  0.39627392
   0.18773281  0.49821684  0.55367425
   0.35042951  0.72523999  0.77696207
   0.14353087  0.75344055  0.55178324
   0.40417366  0.99749970  0.79597821
   0.47701393  0.89236848  0.64504397
   0.20584893  0.91302404  0.68471972
   0.28982807  0.69366795 -0.04397696
   0.02010445  0.65300144  0.91305208
   0.62193045  0.04737072  0.10738160
   0.84262444  0.17937067  0.23664877
   0.67044861  0.28515631  0.01726145
   0.87352769  0.44394397  0.35965951
   0.03120774  0.37649212  0.17608623
   0.77273127  0.42009139  0.15851368
   0.69017028  0.16597227  0.39234310
   0.46145664  0.11306565  0.43948481
   0.64575365  0.07532767  0.57274499
   0.84422645  0.20889027  0.80365018
   0.59458633  0.32662179  0.53784726
   0.84917765  0.44996194  0.86767817
   1.02095671  0.45376723  0.70667370
   0.73462526  0.42398394  0.69623246
   0.74643456  0.04817604  0.93700096
   0.47672967  0.09223597  0.95798618
   0.56471703  0.53407726  0.07073768
   0.84297756  0.69034616  0.28259136
   0.57024299  0.80171152  0.03621161
   0.81840575  0.95108242  0.32750678
   0.91231945  0.89522134  0.15377640
   0.66087175  0.82603575  0.21067290
   0.81524735  0.65951004  0.46314450
   0.57357047  0.59539205  0.37577849
   0.60084964  0.59737330  0.56697375
   0.82348250  0.69608186  0.78778578
   0.58623969  0.83433401  0.45434177
   0.92983106  0.95170004  0.82515146
   0.95071795  0.81297823  0.66835011
   0.70865158  0.92992907  0.72650821
   0.78397789  0.65544870  0.98567498
   0.54859080  0.63650823  0.89434889
   0.70706913  0.82236162  0.58362786
   0.56772565  0.86051568  0.38071412
   0.90257107  0.22581083  0.07293779
   0.94223595  0.40326856  0.32138297
   0.36882867  0.11973430  0.63702843
   0.25233522  0.74384508  0.75095724
   0.16619536  1.08335841  0.20601207
   0.25616110  1.11623760  0.04863972
   0.61417214  0.34976519  0.83701997
   0.94144408  0.49106572  0.68002928
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980534   -0.005154   -0.124624
    -0.000000    9.694104    0.017608
    -0.000000    0.000000   13.995457
   Si   O    H 
    32    64    10
Direct configuration=  2453
   0.15628732  0.17856765 -0.02510876
   0.31990252  0.09372649  0.37396742
   0.14533483  0.42678291  0.10187345
   0.38176973  0.33002501  0.22801226
   0.06502037  0.14360358  0.49624188
   0.39459049  0.12591881  0.86393665
   0.12988653  0.39035142  0.62505178
   0.37510210  0.38402813  0.75033839
   0.13248007  0.68471726 -0.00494898
   0.41297523  0.57593380  0.35108361
   0.06753433  0.90722127  0.14096310
   0.31369421  0.82122975  0.24679733
   0.17053088  0.62741854  0.48094216
   0.38102017  0.63214784  0.86724582
   0.07644249  0.88104578  0.60717064
   0.35279004  0.98059847  0.68593341
   0.62220188  0.12032605  1.00362965
   0.82949761  0.11185170  0.34636833
   0.62428464  0.39431549  0.10839567
   0.88582811  0.29351589  0.16123943
   0.59590266  0.17425294  0.48290096
   0.88247349  0.08710717  0.88287583
   0.61481019  0.44915530  0.61653201
   0.75592247  0.34471828  0.80530591
   0.61829028  0.65244522 -0.00032043
   0.89010934  0.60490151  0.37174083
   0.55816422  0.89404659  0.13150768
   0.80728798  0.83990797  0.23576337
   0.64796610  0.67593557  0.46755049
   0.86373690  0.61355109  0.88563066
   0.63089670  0.92676351  0.62230000
   0.84940909  0.85045594  0.75182245
   0.10466472  0.06590796  0.16203899
   0.31715382  0.17976494  0.27238758
   0.14260222  0.34382728  0.00251439
   0.38113241  0.41535587  0.32590322
   0.53480443  0.29825747  0.18364127
   0.28606712  0.39431046  0.15057478
   0.20920152  0.15208633  0.43364125
  -0.05072116  0.16493458  0.41359154
   0.02159863  0.00173701  0.54100508
   0.44262711  0.25264547  0.79685275
   0.04683978  0.26783069  0.56848250
   0.34863619  0.46744116  0.84766780
   0.49208475  0.45569960  0.68961934
   0.24819796  0.32613770  0.68512318
   0.23936361  0.16179204 -0.11998676
   0.00862190  0.11986845  0.95537603
   0.12418194  0.58477277  0.08531925
   0.35395361  0.65655495  0.25464549
   0.09850489  0.84240979  0.03728039
   0.30580165  0.93224126  0.33500726
   0.41183355  0.89623306  0.17468179
   0.16715283  0.81205613  0.21112754
   0.32193113  0.64119125  0.43942113
   0.04432864  0.63911447  0.39567581
   0.19012978  0.49792680  0.55356790
   0.34994303  0.72350429  0.77747840
   0.14266730  0.75515977  0.55301169
   0.40410792  0.99906386  0.79511042
   0.47839958  0.89378037  0.64542574
   0.20676204  0.91372438  0.68321494
   0.28753540  0.69478621 -0.04441496
   0.02023685  0.65239875  0.91412505
   0.62105574  0.04782710  0.10740699
   0.84223454  0.17872235  0.23747691
   0.67104698  0.28504438  0.01688027
   0.86928138  0.44192267  0.35969910
   0.03321770  0.37703319  0.17685485
   0.77319124  0.42007120  0.15828805
   0.69089453  0.16577758  0.39239250
   0.45917472  0.11344704  0.43812194
   0.64636294  0.07514854  0.57329166
   0.84585885  0.21082651  0.80287921
   0.59472506  0.32609040  0.53848773
   0.84876080  0.44934929  0.86926457
   1.02110390  0.45408040  0.70632630
   0.73575666  0.42410889  0.69554081
   0.74708050  0.04880982  0.93712664
   0.47685308  0.09172775  0.95682361
   0.56341852  0.53321304  0.07088763
   0.84375905  0.68963394  0.28158171
   0.56930668  0.80032720  0.03659510
   0.81771057  0.95009057  0.32621456
   0.91263675  0.89386452  0.15445580
   0.65937691  0.82619753  0.20990957
   0.81543535  0.65879938  0.46309283
   0.57469858  0.59435685  0.37769718
   0.60050355  0.59735280  0.56771897
   0.82268093  0.69541413  0.78769587
   0.58761345  0.83415533  0.45304970
   0.92952193  0.95055632  0.82398576
   0.95136652  0.81409404  0.66819136
   0.70841242  0.92967358  0.72675307
   0.78083165  0.65340398  0.98691493
   0.54715209  0.63626368  0.89553482
   0.70975602  0.82620485  0.58082416
   0.56932265  0.85553765  0.38332006
   0.90690193  0.22541717  0.06811605
   0.93907949  0.40346485  0.31939726
   0.36210050  0.12044878  0.63820884
   0.25100946  0.74443042  0.75133117
   0.18695506  1.09091639  0.20945043
   0.25886502  1.11112682  0.05188288
   0.61146859  0.35614987  0.83814453
   0.94146372  0.49000032  0.67568851
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980798   -0.003438   -0.121981
    -0.000000    9.691953    0.015617
    -0.000000    0.000000   13.994559
   Si   O    H 
    32    64    10
Direct configuration=  2454
   0.15666167  0.17903716 -0.02499797
   0.31972627  0.09301473  0.37495743
   0.14615669  0.42591101  0.10142621
   0.38180270  0.33099004  0.22865525
   0.06547027  0.14413741  0.49542850
   0.39440592  0.12572701  0.86435304
   0.12872603  0.38990356  0.62488085
   0.37606701  0.38352970  0.75015183
   0.13415719  0.68501088 -0.00517700
   0.41352973  0.57435009  0.35046851
   0.06661023  0.90563785  0.14023803
   0.31385914  0.82249087  0.24651208
   0.16962421  0.62692176  0.48057156
   0.38089738  0.63136250  0.86698671
   0.07634154  0.88025316  0.60726729
   0.35390141  0.98032277  0.68569491
   0.62264609  0.12092937  1.00471287
   0.82916946  0.11232511  0.34581685
   0.62384041  0.39294097  0.10846164
   0.88605496  0.29366452  0.16078799
   0.59624026  0.17430849  0.48404473
   0.88146107  0.08799512  0.88348191
   0.61508641  0.44854377  0.61627285
   0.75427695  0.34439680  0.80510251
   0.61819317  0.65166080 -0.00024365
   0.88974190  0.60524485  0.37227467
   0.55707753  0.89461052  0.13195719
   0.80836138  0.84001121  0.23604707
   0.64782788  0.67542960  0.46785258
   0.86253510  0.61399560  0.88631589
   0.63044795  0.92632398  0.62209018
   0.84915552  0.85057505  0.75088695
   0.10442103  0.06486105  0.16160581
   0.31675497  0.17975450  0.27359388
   0.14120117  0.34445287  0.00262861
   0.38229069  0.41548242  0.32585964
   0.53194641  0.29658366  0.18310978
   0.28484237  0.39519964  0.15133929
   0.20936227  0.15134797  0.43322552
  -0.05139679  0.16432572  0.41413930
   0.02271154  0.00222193  0.53999323
   0.44052244  0.25210106  0.79618105
   0.04721894  0.26739008  0.56809542
   0.34756382  0.46744230  0.84640825
   0.49216581  0.45503142  0.68991296
   0.24914170  0.32674003  0.68504400
   0.23929440  0.16311774 -0.11960661
   0.00784990  0.12154350  0.95582302
   0.12272746  0.58545135  0.08615612
   0.35522414  0.65810876  0.25548394
   0.09800328  0.84227668  0.03727323
   0.30639873  0.93422023  0.33521891
   0.41282835  0.89660069  0.17420216
   0.16818375  0.81165987  0.21091016
   0.32126515  0.64050382  0.43993402
   0.04305680  0.63869321  0.39530156
   0.19197781  0.49807848  0.55327796
   0.34830526  0.72205321  0.77728162
   0.14207722  0.75667755  0.55400171
   0.40328786  1.00035440  0.79455394
   0.47883384  0.89546050  0.64564504
   0.20664923  0.91487911  0.68157001
   0.28575773  0.69570782 -0.04481569
   0.02007059  0.65234679  0.91472551
   0.62031352  0.04843371  0.10771146
   0.84229641  0.17755609  0.23846411
   0.67106280  0.28482730  0.01666030
   0.86567551  0.43954121  0.35949288
   0.03527011  0.37734988  0.17808683
   0.77364492  0.41967252  0.15830655
   0.69192022  0.16649126  0.39251462
   0.45682208  0.11455416  0.43683454
   0.64728803  0.07478031  0.57319641
   0.84671117  0.21284742  0.80175057
   0.59525504  0.32490799  0.53888897
   0.84878457  0.44845835  0.87139934
   1.02163479  0.45383756  0.70594061
   0.73709872  0.42366371  0.69466290
   0.74775516  0.04958236  0.93746221
   0.47800963  0.09066745  0.95557076
   0.56153733  0.53288740  0.07153552
   0.84418159  0.68916597  0.28048519
   0.56916670  0.79962054  0.03698678
   0.81732414  0.94925563  0.32529265
   0.91207058  0.89305950  0.15562669
   0.65708149  0.82588352  0.20937705
   0.81508176  0.65839259  0.46343534
   0.57577468  0.59343628  0.37855774
   0.60073994  0.59754005  0.56730051
   0.82278836  0.69526568  0.78782611
   0.58958831  0.83440801  0.45142865
   0.92922044  0.94965777  0.82329660
   0.95218563  0.81522626  0.66749218
   0.70844887  0.93033960  0.72718717
   0.77762984  0.65155133  0.98765572
   0.54541042  0.63549140  0.89635077
   0.71774707  0.82497368  0.57704598
   0.56975413  0.84986207  0.39067069
   0.91072768  0.22725452  0.06603513
   0.93349444  0.40385911  0.31562238
   0.35513180  0.12121811  0.64155538
   0.26242830  0.74427228  0.75395532
   0.20206056  1.09843350  0.20615912
   0.26055592  1.10770794  0.05076961
   0.61421254  0.35887761  0.83875928
   0.93743113  0.48855644  0.66900536
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980685   -0.002379   -0.119190
    -0.000000    9.689833    0.013578
    -0.000000    0.000000   13.993425
   Si   O    H 
    32    64    10
Direct configuration=  2455
   0.15756149  0.17921330 -0.02456890
   0.32008278  0.09239068  0.37555996
   0.14638778  0.42465265  0.10099220
   0.38179887  0.33143375  0.22937890
   0.06662216  0.14412090  0.49409167
   0.39437881  0.12534725  0.86423728
   0.12731435  0.38956758  0.62481472
   0.37748587  0.38320407  0.74973065
   0.13516542  0.68587021 -0.00567500
   0.41410387  0.57378115  0.34992726
   0.06562305  0.90466301  0.13981821
   0.31399544  0.82394893  0.24675832
   0.16819222  0.62638944  0.48045651
   0.38044848  0.63052204  0.86725853
   0.07609593  0.87990266  0.60786472
   0.35480304  0.98068748  0.68557029
   0.62346035  0.12077937  1.00534304
   0.82861555  0.11258395  0.34551765
   0.62433104  0.39122642  0.10827548
   0.88642438  0.29385772  0.16039122
   0.59678396  0.17468308  0.48547739
   0.87994133  0.08940106  0.88401800
   0.61510352  0.44773762  0.61594612
   0.75252476  0.34412625  0.80452541
   0.61808514  0.65053372 -0.00013808
   0.88975144  0.60491697  0.37313920
   0.55575308  0.89515707  0.13248911
   0.80985258  0.84011622  0.23624556
   0.64833377  0.67434815  0.46810829
   0.86142744  0.61469454  0.88735907
   0.63028090  0.92527950  0.62198716
   0.84919581  0.85100200  0.75045913
   0.10408910  0.06494363  0.16200847
   0.31672545  0.17925817  0.27376516
   0.13973165  0.34476080  0.00248674
   0.38376606  0.41484175  0.32595944
   0.52922777  0.29483224  0.18289231
   0.28415288  0.39689461  0.15243590
   0.20749145  0.15128296  0.43361793
  -0.05164719  0.16370418  0.41460859
   0.02410321  0.00193238  0.53938131
   0.43959285  0.25185011  0.79554985
   0.04787004  0.26710273  0.56720576
   0.34704469  0.46723744  0.84549790
   0.49221353  0.45365515  0.68985506
   0.24983981  0.32702180  0.68473828
   0.23904438  0.16445370 -0.11997939
   0.00671156  0.12350548  0.95635583
   0.12138954  0.58603013  0.08752942
   0.35690174  0.66051692  0.25627820
   0.09832719  0.84218089  0.03715784
   0.30782664  0.93639726  0.33563374
   0.41260389  0.89788553  0.17335592
   0.16791515  0.81087366  0.21053780
   0.32036984  0.63883400  0.43942450
   0.04284046  0.63846708  0.39551094
   0.19285319  0.49844810  0.55324276
   0.34721023  0.72067404  0.77702500
   0.14115793  0.75765075  0.55446790
   0.40296697  1.00115002  0.79427275
   0.47853995  0.89637438  0.64557454
   0.20616852  0.91586161  0.68006340
   0.28462268  0.69683137 -0.04585257
   0.01948823  0.65280169  0.91538800
   0.61952973  0.04879226  0.10821449
   0.84325403  0.17678274  0.23948703
   0.67029274  0.28432551  0.01609976
   0.86241495  0.43715651  0.35949471
   0.03621136  0.37781530  0.17877033
   0.77390117  0.41932691  0.15803997
   0.69206440  0.16731153  0.39290683
   0.45534327  0.11653241  0.43572677
   0.64761963  0.07518159  0.57300580
   0.84781810  0.21407312  0.80102751
   0.59570751  0.32415926  0.53923295
   0.84841171  0.44779832  0.87333169
   1.02185490  0.45315114  0.70504546
   0.73815388  0.42251129  0.69366936
   0.74777178  0.05042543  0.93860955
   0.47953376  0.08938560  0.95433146
   0.55989945  0.53245982  0.07205516
   0.84389399  0.68856568  0.27968746
   0.56911098  0.79912892  0.03727359
   0.81745238  0.94877737  0.32478781
   0.91096601  0.89237113  0.15711006
   0.65526478  0.82645095  0.20857863
   0.81482749  0.65782765  0.46378007
   0.57696888  0.59241170  0.37962536
   0.60228472  0.59753707  0.56648549
   0.82336074  0.69599469  0.78781731
   0.59211713  0.83434644  0.45112659
   0.92941505  0.94876407  0.82266011
   0.95331566  0.81639815  0.66658525
   0.70813697  0.93104209  0.72728069
   0.77516030  0.64972922  0.98801858
   0.54419353  0.63486022  0.89766128
   0.72132380  0.82270238  0.57476313
   0.56593708  0.85205895  0.38086463
   0.91312771  0.22643677  0.06429925
   0.92665654  0.40243958  0.31302959
   0.35011499  0.12312197  0.64074914
   0.26585024  0.74353392  0.75328388
   0.20738676  1.10229235  0.19839040
   0.25727321  1.10800142  0.04642487
   0.62007148  0.35876496  0.84007565
   0.93775105  0.48567236  0.66667881
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980228   -0.001848   -0.117040
    -0.000000    9.687840    0.011665
    -0.000000    0.000000   13.992722
   Si   O    H 
    32    64    10
Direct configuration=  2456
   0.15870974  0.17954115 -0.02347371
   0.32111716  0.09223534  0.37582371
   0.14621272  0.42342534  0.10096018
   0.38225079  0.33090178  0.22997579
   0.06802947  0.14436761  0.49273561
   0.39447875  0.12554807  0.86379505
   0.12569976  0.38914114  0.62461561
   0.37893228  0.38294729  0.74946089
   0.13564517  0.68686362 -0.00575635
   0.41467804  0.57365839  0.34962324
   0.06513009  0.90402880  0.13950629
   0.31358354  0.82561231  0.24677240
   0.16649499  0.62632442  0.48042895
   0.38029717  0.62925943  0.86731892
   0.07548140  0.87970622  0.60828741
   0.35539026  0.98080053  0.68544017
   0.62445841  0.12088058  1.00552746
   0.82815790  0.11318298  0.34515065
   0.62506654  0.38943844  0.10850730
   0.88651151  0.29407844  0.16011528
   0.59742367  0.17535033  0.48681460
   0.87889780  0.09016983  0.88398869
   0.61497095  0.44698096  0.61594066
   0.75140445  0.34396427  0.80358333
   0.61749275  0.64999113 -0.00047823
   0.89025643  0.60459893  0.37347450
   0.55546030  0.89609054  0.13268333
   0.81096636  0.84021775  0.23667484
   0.64857587  0.67371562  0.46843222
   0.86028685  0.61521602  0.88826154
   0.63045821  0.92416098  0.62146999
   0.84920258  0.85212076  0.75066865
   0.10395972  0.06530823  0.16272222
   0.31726076  0.17867424  0.27364920
   0.13851336  0.34442491  0.00233587
   0.38454152  0.41433802  0.32641526
   0.52582821  0.29303530  0.18282250
   0.28364756  0.39850243  0.15367717
   0.20530897  0.15096298  0.43382766
  -0.05153054  0.16326567  0.41576244
   0.02516202  0.00120696  0.53911144
   0.43973814  0.25176366  0.79548296
   0.04904745  0.26687154  0.56642863
   0.34667489  0.46824753  0.84484204
   0.49204339  0.45258805  0.68988117
   0.25133230  0.32790915  0.68393284
   0.23910526  0.16623328 -0.12046621
   0.00627662  0.12552583  0.95668937
   0.11980114  0.58660044  0.08835420
   0.35882187  0.66264316  0.25734465
   0.09836977  0.84239612  0.03714546
   0.30953647  0.93846898  0.33624203
   0.41213348  0.89897247  0.17248350
   0.16669077  0.81087133  0.21032786
   0.32037220  0.63770395  0.43901965
   0.04415948  0.63851188  0.39697023
   0.19308233  0.49852682  0.55312608
   0.34668401  0.71885810  0.77677542
   0.14063040  0.75718183  0.55418499
   0.40231104  1.00207202  0.79420240
   0.47829557  0.89682401  0.64551080
   0.20513881  0.91616174  0.67909075
   0.28368661  0.69679945 -0.04730568
   0.01900775  0.65362172  0.91591924
   0.61882816  0.04919918  0.10891225
   0.84388879  0.17637707  0.23998545
   0.66999842  0.28288310  0.01584153
   0.86082201  0.43460693  0.35908766
   0.03628018  0.37819079  0.17970339
   0.77470438  0.41947322  0.15731197
   0.69163960  0.16797845  0.39325214
   0.45469274  0.11826916  0.43531252
   0.64755367  0.07521818  0.57216085
   0.84851286  0.21463592  0.80070963
   0.59576661  0.32361069  0.53964476
   0.84799966  0.44672273  0.87496409
   1.02180741  0.45259460  0.70376567
   0.73956074  0.42089042  0.69286913
   0.74745351  0.05063865  0.94034054
   0.48123946  0.08763890  0.95382290
   0.55756125  0.53192113  0.07268999
   0.84390783  0.68769395  0.27886338
   0.56911078  0.79936857  0.03748402
   0.81748778  0.94777413  0.32416443
   0.90962421  0.89152792  0.15818688
   0.65387914  0.82641939  0.20780681
   0.81395176  0.65757008  0.46419460
   0.57828942  0.59101953  0.38047515
   0.60452860  0.59734723  0.56540085
   0.82314927  0.69642693  0.78799589
   0.59415019  0.83338812  0.45072317
   0.92973007  0.94984330  0.82256648
   0.95456591  0.81702149  0.66648417
   0.70747394  0.93195996  0.72741692
   0.77409276  0.64851240  0.98753353
   0.54219991  0.63418134  0.89808036
   0.71832349  0.82382343  0.57258651
   0.56384759  0.85144175  0.37605223
   0.91210895  0.22428718  0.06397027
   0.92027850  0.40406135  0.31077272
   0.34399772  0.12154787  0.63877752
   0.25286736  0.75018618  0.74644057
   0.20201601  1.10303422  0.19057139
   0.24859661  1.11120159  0.03982595
   0.62337765  0.35768433  0.84138620
   0.94641866  0.48320853  0.66874027
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979790   -0.001232   -0.115512
    -0.000000    9.686353    0.009885
    -0.000000    0.000000   13.992613
   Si   O    H 
    32    64    10
Direct configuration=  2457
   0.15978055  0.17965302 -0.02238018
   0.32278714  0.09221714  0.37624398
   0.14599229  0.42288647  0.10119396
   0.38192109  0.32929361  0.23062040
   0.06885598  0.14525623  0.49116923
   0.39498143  0.12644833  0.86350018
   0.12429483  0.38850324  0.62454221
   0.38014559  0.38296195  0.74940928
   0.13582618  0.68833186 -0.00664185
   0.41503240  0.57356040  0.34973227
   0.06462109  0.90353016  0.13905169
   0.31334539  0.82777042  0.24705458
   0.16514975  0.62614755  0.48032796
   0.38018718  0.62794651  0.86705096
   0.07523537  0.87955456  0.60874159
   0.35556548  0.98078437  0.68543883
   0.62615636  0.12097542  1.00562747
   0.82762264  0.11358411  0.34479994
   0.62604876  0.38727207  0.10864570
   0.88673363  0.29396587  0.16006526
   0.59843489  0.17638256  0.48785290
   0.87801731  0.09047481  0.88421627
   0.61492703  0.44621049  0.61565435
   0.75111402  0.34362037  0.80242509
   0.61687696  0.64999141 -0.00096796
   0.89014147  0.60387953  0.37325024
   0.55555413  0.89661178  0.13225845
   0.81161666  0.84085928  0.23700582
   0.64803611  0.67290688  0.46870389
   0.85955471  0.61554711  0.88839125
   0.63047556  0.92366607  0.62103531
   0.84850672  0.85339454  0.75106271
   0.10534453  0.06583203  0.16370795
   0.31774347  0.17810024  0.27297797
   0.13722095  0.34319424  0.00152361
   0.38513769  0.41402981  0.32695140
   0.52296084  0.29171210  0.18263014
   0.28356997  0.40019817  0.15460166
   0.20186578  0.15098620  0.43509239
  -0.05121159  0.16265796  0.41697554
   0.02554268  0.00051380  0.53868239
   0.43988006  0.25072563  0.79608949
   0.05132910  0.26789590  0.56558029
   0.34612008  0.47015819  0.84440683
   0.49171285  0.45225747  0.68979085
   0.25308165  0.32852979  0.68373025
   0.23922491  0.16723337 -0.12101357
   0.00576892  0.12780959  0.95644027
   0.11825505  0.58709156  0.08929698
   0.36064860  0.66433858  0.25882645
   0.09832609  0.84291782  0.03716833
   0.31054127  0.93936373  0.33724071
   0.41097122  0.89972081  0.17130717
   0.16436820  0.81106249  0.20973134
   0.31979950  0.63598751  0.43811597
   0.04632761  0.63858251  0.39807808
   0.19361155  0.49859473  0.55317303
   0.34585420  0.71831964  0.77558688
   0.14012708  0.75678256  0.55379636
   0.40188723  1.00128015  0.79440466
   0.47868046  0.89593867  0.64504018
   0.20403127  0.91635577  0.67833200
   0.28318836  0.69702147 -0.04791881
   0.01852755  0.65454239  0.91644863
   0.61847307  0.04918972  0.10955875
   0.84431151  0.17732434  0.23998560
   0.66900263  0.28294247  0.01569102
   0.85953429  0.43301196  0.35908477
   0.03540137  0.37894191  0.18083067
   0.77531955  0.41899362  0.15643302
   0.69163059  0.16855736  0.39393472
   0.45440968  0.11988674  0.43540865
   0.64771107  0.07573763  0.57129633
   0.84912913  0.21367954  0.80084752
   0.59526366  0.32390949  0.53939809
   0.84869522  0.44635545  0.87612013
   1.02187199  0.45134969  0.70279417
   0.74065365  0.41991926  0.69220946
   0.74638849  0.05139177  0.94196775
   0.48344072  0.08578086  0.95422822
   0.55556675  0.53147961  0.07309254
   0.84316002  0.68584835  0.27809605
   0.56903414  0.79943499  0.03753237
   0.81693163  0.94645481  0.32370596
   0.90853438  0.89090287  0.15935067
   0.65278641  0.82665391  0.20749356
   0.81264323  0.65782294  0.46502413
   0.57934335  0.58929264  0.38112405
   0.60660932  0.59653581  0.56446427
   0.82283582  0.69630239  0.78871455
   0.59590926  0.83277997  0.44959570
   0.92966883  0.95142881  0.82317630
   0.95558880  0.81797784  0.66649793
   0.70709503  0.93324099  0.72719307
   0.77328676  0.64681237  0.98704999
   0.54022788  0.63374210  0.89817702
   0.71386054  0.82295296  0.57103436
   0.56940670  0.84908612  0.37923350
   0.90759215  0.22256643  0.06802565
   0.91881902  0.40281678  0.30632619
   0.34120497  0.11796994  0.63678905
   0.25115057  0.75370041  0.74410291
   0.18598988  1.10085299  0.18137890
   0.23980368  1.11601108  0.03747940
   0.62281432  0.35221688  0.84384867
   0.94768771  0.48430473  0.67076522
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979559   -0.000549   -0.114363
    -0.000000    9.685249    0.007627
    -0.000000    0.000000   13.992910
   Si   O    H 
    32    64    10
Direct configuration=  2458
   0.16045508  0.18012450 -0.02156004
   0.32500382  0.09233086  0.37587859
   0.14593950  0.42236254  0.10121142
   0.38129785  0.32734012  0.23162456
   0.06926083  0.14637194  0.49002931
   0.39508669  0.12775877  0.86307406
   0.12304401  0.38749796  0.62490735
   0.38085493  0.38239243  0.74927148
   0.13558732  0.69064241 -0.00725519
   0.41574430  0.57401177  0.35000578
   0.06455115  0.90312620  0.13854733
   0.31325994  0.82916952  0.24735124
   0.16438065  0.62660069  0.48010425
   0.38040520  0.62653975  0.86657923
   0.07508025  0.87988015  0.60922725
   0.35605550  0.98058220  0.68564168
   0.62806207  0.12099268  1.00577986
   0.82748906  0.11416848  0.34429291
   0.62699686  0.38523449  0.10893556
   0.88734163  0.29343879  0.15976055
   0.59897111  0.17740965  0.48881707
   0.87727721  0.09087292  0.88417851
   0.61522366  0.44588422  0.61547531
   0.75153999  0.34360616  0.80103333
   0.61628674  0.65029931 -0.00093545
   0.89000836  0.60264707  0.37282814
   0.55595155  0.89746355  0.13150561
   0.81153826  0.84099262  0.23753075
   0.64799168  0.67174248  0.46867622
   0.85862279  0.61538079  0.88869188
   0.63023293  0.92329014  0.62125562
   0.84782456  0.85411703  0.75137276
   0.10506049  0.06495146  0.16414071
   0.31763535  0.17779673  0.27236932
   0.13532190  0.34220495  0.00082797
   0.38549785  0.41457390  0.32790238
   0.52119077  0.29083081  0.18267890
   0.28393958  0.40208216  0.15551360
   0.19856710  0.15126315  0.43660962
  -0.05129634  0.16155946  0.41790422
   0.02637851  0.00043879  0.53862131
   0.44016190  0.25028241  0.79687770
   0.05349799  0.26880061  0.56508881
   0.34644932  0.47130632  0.84407726
   0.49134185  0.45144051  0.68935390
   0.25409527  0.32850648  0.68382416
   0.24007716  0.16791125 -0.12117709
   0.00472099  0.12922891  0.95598484
   0.11772446  0.58835896  0.08969259
   0.36265569  0.66641745  0.26056461
   0.09833721  0.84356687  0.03672896
   0.31139482  0.94029697  0.33781862
   0.40917794  0.90055793  0.17004965
   0.16236614  0.81092005  0.20915946
   0.32001113  0.63416228  0.43673785
   0.04776192  0.63772939  0.39913785
   0.19366135  0.49926621  0.55271897
   0.34383489  0.71855960  0.77402246
   0.13947867  0.75573984  0.55279783
   0.40167098  0.99981099  0.79445296
   0.47775236  0.89504821  0.64455486
   0.20313961  0.91631693  0.67836504
   0.28285863  0.69693377 -0.04816177
   0.01731062  0.65533992  0.91654250
   0.61832894  0.04937876  0.10988161
   0.84572359  0.17735505  0.23967373
   0.66839095  0.28252014  0.01611637
   0.85893213  0.43243292  0.36019982
   0.03484393  0.37888574  0.18221169
   0.77568300  0.41784708  0.15589002
   0.69189547  0.16877746  0.39469186
   0.45352991  0.12269989  0.43623051
   0.64704834  0.07665318  0.57075897
   0.84983652  0.21274805  0.80105766
   0.59403961  0.32497224  0.53874784
   0.84913679  0.44598894  0.87711648
   1.02234102  0.44995384  0.70174692
   0.74082233  0.41965230  0.69092704
   0.74497928  0.05230776  0.94329014
   0.48527280  0.08368241  0.95475335
   0.55380366  0.53089573  0.07361601
   0.84157485  0.68528179  0.27765066
   0.56902686  0.79970658  0.03742080
   0.81580589  0.94508445  0.32355987
   0.90770464  0.88956801  0.16009315
   0.65254547  0.82562767  0.20786402
   0.81047095  0.65790121  0.46574319
   0.58005272  0.58812278  0.38103041
   0.60772475  0.59565969  0.56398967
   0.82265056  0.69631116  0.78904782
   0.59748049  0.83234967  0.44818992
   0.92946797  0.95290521  0.82343287
   0.95676439  0.81882693  0.66665457
   0.70706343  0.93420392  0.72705565
   0.77214901  0.64549666  0.98650477
   0.53847622  0.63322146  0.89788446
   0.71093981  0.82446810  0.57007018
   0.57653283  0.84283699  0.38806628
   0.90093274  0.22230698  0.07335167
   0.91749739  0.40550212  0.30557134
   0.33873958  0.11453188  0.63433802
   0.25835311  0.75321056  0.74676688
   0.18606665  1.10416481  0.17767408
   0.24330200  1.11219650  0.04256274
   0.61997386  0.34911358  0.84685508
   0.94142610  0.48922356  0.66978963
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979486   -0.000587   -0.113351
    -0.000000    9.684095    0.005334
    -0.000000    0.000000   13.993365
   Si   O    H 
    32    64    10
Direct configuration=  2459
   0.16077120  0.18039077 -0.02115527
   0.32680567  0.09245653  0.37542124
   0.14590394  0.42254680  0.10171018
   0.38112097  0.32512490  0.23257893
   0.06931949  0.14698266  0.48939464
   0.39567687  0.12924059  0.86215677
   0.12290920  0.38648132  0.62512693
   0.38146723  0.38185805  0.74945716
   0.13483750  0.69288720 -0.00791075
   0.41653641  0.57448074  0.35071868
   0.06471169  0.90319501  0.13802230
   0.31335275  0.83041113  0.24761026
   0.16365937  0.62654362  0.47992405
   0.38009549  0.62569059  0.86613855
   0.07490366  0.88035463  0.60946992
   0.35631381  0.98078727  0.68596223
   0.62982843  0.12168633  1.00639591
   0.82795452  0.11423178  0.34422178
   0.62751771  0.38381043  0.10902657
   0.88865790  0.29272954  0.15920836
   0.59917851  0.17815097  0.48924088
   0.87720201  0.09159134  0.88384577
   0.61530892  0.44539961  0.61576236
   0.75228535  0.34397491  0.79981069
   0.61565310  0.65023964 -0.00103619
   0.88986551  0.60096761  0.37224936
   0.55672201  0.89763325  0.13052255
   0.81052916  0.84069998  0.23815419
   0.64785556  0.67088276  0.46848700
   0.85805525  0.61559174  0.88919920
   0.63058766  0.92297554  0.62154951
   0.84722176  0.85495428  0.75177091
   0.10370038  0.06373481  0.16420921
   0.31772975  0.17698159  0.27177665
   0.13433436  0.34182850  0.00080970
   0.38593574  0.41587532  0.32844273
   0.52025924  0.29060191  0.18227769
   0.28443332  0.40398122  0.15684570
   0.19636887  0.15168202  0.43803334
  -0.05118292  0.16052822  0.41848817
   0.02718351  0.00157935  0.53842221
   0.44084091  0.24978230  0.79785518
   0.05554062  0.26970672  0.56415268
   0.34588176  0.47266721  0.84405928
   0.49110452  0.45184616  0.68844240
   0.25488371  0.32843298  0.68427428
   0.24012086  0.16883956 -0.12109524
   0.00378569  0.13098292  0.95582483
   0.11757699  0.58930304  0.08980959
   0.36485881  0.66874147  0.26292073
   0.09882270  0.84372964  0.03603479
   0.31130916  0.94042481  0.33848499
   0.40714368  0.90149252  0.16854355
   0.16083489  0.81120963  0.20904979
   0.32002845  0.63287796  0.43563694
   0.04921879  0.63684535  0.40037690
   0.19314196  0.50007783  0.55165714
   0.34232513  0.71921954  0.77300946
   0.13896189  0.75440093  0.55126685
   0.40058821  0.99858189  0.79420760
   0.47667142  0.89344430  0.64402649
   0.20325816  0.91653720  0.67858527
   0.28316849  0.69649514 -0.04818071
   0.01620688  0.65626098  0.91642347
   0.61826269  0.04852371  0.11065614
   0.84685468  0.17761130  0.23976270
   0.66796004  0.28309401  0.01700899
   0.85874558  0.43237773  0.36112213
   0.03453504  0.37840192  0.18372681
   0.77567969  0.41732430  0.15541273
   0.69318086  0.16891837  0.39561109
   0.45269565  0.12603801  0.43739911
   0.64737368  0.07730528  0.57053641
   0.85164401  0.21171263  0.80129811
   0.59334428  0.32659895  0.53798735
   0.84910633  0.44587890  0.87804570
   1.02272757  0.44859147  0.69986304
   0.74134465  0.41929085  0.68959693
   0.74390517  0.05278503  0.94517140
   0.48669326  0.08235901  0.95510473
   0.55309893  0.52981632  0.07399561
   0.83999614  0.68547504  0.27726267
   0.56876392  0.80003859  0.03802274
   0.81441688  0.94391080  0.32342691
   0.90693174  0.88824213  0.15995039
   0.65289476  0.82483691  0.20871827
   0.80859149  0.65830821  0.46636865
   0.58037763  0.58680877  0.38092917
   0.60904778  0.59441981  0.56329596
   0.82159054  0.69747070  0.78971457
   0.59952527  0.83094641  0.44779294
   0.92937326  0.95463476  0.82383314
   0.95682816  0.81983530  0.66725691
   0.70745953  0.93525905  0.72690825
   0.77101181  0.64511789  0.98652143
   0.53649355  0.63284262  0.89752111
   0.70933516  0.82722807  0.57174851
   0.57729483  0.84201500  0.37800138
   0.89633179  0.22199143  0.07455777
   0.91649816  0.40866887  0.30939747
   0.34114179  0.10919269  0.63395589
   0.26579703  0.75158670  0.75075977
   0.19874955  1.10956737  0.17653591
   0.24947760  1.10733415  0.05121514
   0.61664291  0.34406239  0.84918218
   0.93717597  0.49333482  0.66956971
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.979961   -0.000075   -0.112869
    -0.000000    9.682812    0.003357
    -0.000000    0.000000   13.993533
   Si   O    H 
    32    64    10
Direct configuration=  2460
   0.16068465  0.18015740 -0.02047839
   0.32812607  0.09256152  0.37497752
   0.14557667  0.42290231  0.10240057
   0.38067849  0.32248193  0.23348663
   0.06895936  0.14723077  0.48891732
   0.39600250  0.12969977  0.86121088
   0.12320864  0.38528625  0.62559576
   0.38144480  0.38165992  0.74976804
   0.13371919  0.69501863 -0.00851915
   0.41719965  0.57490758  0.35147568
   0.06481171  0.90305135  0.13791495
   0.31276291  0.83074065  0.24811493
   0.16326870  0.62718470  0.48015507
   0.37972253  0.62588608  0.86560053
   0.07493733  0.88109007  0.60934577
   0.35586493  0.98179731  0.68644468
   0.63123971  0.12225489  1.00709427
   0.82832508  0.11377366  0.34412092
   0.62790617  0.38260244  0.10877724
   0.89049187  0.29253720  0.15836659
   0.59938946  0.17925165  0.48970970
   0.87751686  0.09185311  0.88336227
   0.61544187  0.44554073  0.61540793
   0.75276694  0.34519209  0.79865160
   0.61468791  0.65048013 -0.00117826
   0.88967452  0.59980942  0.37145990
   0.55782047  0.89758031  0.12976299
   0.80959813  0.84030652  0.23886284
   0.64720777  0.66989448  0.46843026
   0.85796571  0.61533561  0.88923311
   0.63097938  0.92255604  0.62177546
   0.84697727  0.85490261  0.75234071
   0.10289760  0.06236852  0.16440586
   0.31806740  0.17711229  0.27143521
   0.13423897  0.34244700  0.00028602
   0.38685284  0.41628772  0.32976453
   0.52042023  0.29112769  0.18130599
   0.28533839  0.40498385  0.15805398
   0.19523183  0.15191943  0.43885314
  -0.05175692  0.16046327  0.41792070
   0.02728806  0.00305543  0.53858865
   0.44127444  0.24901053  0.79936704
   0.05695755  0.27084549  0.56377398
   0.34532051  0.47331871  0.84404292
   0.49187584  0.45209437  0.68772254
   0.25462493  0.32949192  0.68450925
   0.23987041  0.16940223 -0.12069614
   0.00300679  0.13254369  0.95530345
   0.11699994  0.58974773  0.08959783
   0.36708449  0.67067635  0.26520492
   0.09936395  0.84434656  0.03498529
   0.31069994  0.94010194  0.33846321
   0.40510968  0.90303578  0.16686063
   0.15954418  0.81138978  0.20876923
   0.31950895  0.63177305  0.43451630
   0.04960113  0.63609534  0.40197842
   0.19237158  0.49945552  0.55120003
   0.34200705  0.71885478  0.77197680
   0.13860983  0.75301055  0.54951854
   0.39993025  0.99747680  0.79420620
   0.47519914  0.89125879  0.64325251
   0.20308839  0.91668320  0.67913254
   0.28416135  0.69680242 -0.04781090
   0.01465206  0.65750168  0.91647256
   0.61743702  0.04821460  0.11163072
   0.84824935  0.17727516  0.23982741
   0.66726101  0.28352588  0.01821713
   0.85853831  0.43250453  0.36219964
   0.03413428  0.37747260  0.18526491
   0.77544161  0.41762045  0.15514817
   0.69470638  0.16929322  0.39600816
   0.45235905  0.12907443  0.43919780
   0.64666693  0.07707420  0.57070925
   0.85302365  0.21095722  0.80161256
   0.59162608  0.32771833  0.53771857
   0.84896628  0.44519928  0.87863791
   1.02295087  0.44773455  0.69802125
   0.74223525  0.41969003  0.68846600
   0.74335723  0.05265280  0.94630886
   0.48744550  0.08142166  0.95466911
   0.55264899  0.52802058  0.07404305
   0.83904622  0.68543192  0.27673848
   0.56891571  0.80110604  0.03853351
   0.81203635  0.94343430  0.32333543
   0.90630328  0.88811114  0.15971715
   0.65343419  0.82332107  0.20952486
   0.80707894  0.65871091  0.46649610
   0.58027484  0.58556170  0.38114682
   0.61027436  0.59389919  0.56335200
   0.82010223  0.69784807  0.79056195
   0.60115240  0.82966295  0.44715578
   0.92957390  0.95651468  0.82408158
   0.95626231  0.82021090  0.66768683
   0.70777150  0.93615222  0.72626678
   0.76983480  0.64443277  0.98597934
   0.53494364  0.63099226  0.89692683
   0.71120986  0.82468920  0.57473396
   0.57625175  0.83768474  0.37108925
   0.89225232  0.21955599  0.07182360
   0.91683979  0.40445631  0.31359700
   0.34400168  0.10721822  0.63235613
   0.25045093  0.75803292  0.74941722
   0.20148519  1.11025378  0.17483363
   0.25422477  1.10690006  0.05703132
   0.61995782  0.34045144  0.85137823
   0.93985618  0.49206047  0.67240842
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980479    0.000641   -0.112496
    -0.000000    9.681348    0.001726
    -0.000000    0.000000   13.993774
   Si   O    H 
    32    64    10
Direct configuration=  2461
   0.16054226  0.18022827 -0.01998750
   0.32886482  0.09374732  0.37449151
   0.14528540  0.42311779  0.10337290
   0.38039756  0.32021214  0.23375668
   0.06864524  0.14764305  0.48868417
   0.39639398  0.12905223  0.86030669
   0.12375920  0.38463805  0.62590911
   0.38100972  0.38182164  0.75021054
   0.13295938  0.69715591 -0.00901047
   0.41740865  0.57442603  0.35236830
   0.06478119  0.90285644  0.13794124
   0.31254477  0.83085795  0.24832308
   0.16306407  0.62795237  0.48064350
   0.37965370  0.62637808  0.86509450
   0.07568030  0.88167281  0.60913838
   0.35520272  0.98229281  0.68716968
   0.63208203  0.12210303  1.00777636
   0.82852383  0.11353207  0.34443239
   0.62775655  0.38127149  0.10892296
   0.89247143  0.29204161  0.15759140
   0.59944034  0.17976503  0.48940199
   0.87782696  0.09268283  0.88305740
   0.61549443  0.44642413  0.61516115
   0.75332593  0.34652502  0.79767699
   0.61374201  0.65026067 -0.00123251
   0.88895403  0.59920973  0.37087424
   0.55857639  0.89717847  0.12935691
   0.80887433  0.83898281  0.23971567
   0.64628461  0.66890145  0.46799275
   0.85821814  0.61549604  0.88932417
   0.63092799  0.92238822  0.62179829
   0.84727070  0.85484124  0.75290233
   0.10202537  0.06133189  0.16494228
   0.31847476  0.17756888  0.27068421
   0.13448201  0.34438944  0.00021084
   0.38812886  0.41644145  0.33089752
   0.52126652  0.29216166  0.17990267
   0.28652469  0.40594381  0.15973477
   0.19588863  0.15167497  0.43843688
  -0.05233503  0.15970229  0.41725623
   0.02684999  0.00394837  0.53930724
   0.44192959  0.24917322  0.80040188
   0.05865150  0.27110805  0.56318249
   0.34499734  0.47342780  0.84368647
   0.49243788  0.45243646  0.68638565
   0.25352938  0.33002295  0.68554225
   0.23961556  0.17059955 -0.12091877
   0.00253995  0.13318158  0.95480398
   0.11671902  0.59018046  0.08924189
   0.36827549  0.67301464  0.26693000
   0.09985173  0.84482104  0.03396157
   0.31051534  0.93918434  0.33866546
   0.40341948  0.90450817  0.16530368
   0.15894252  0.81089123  0.20816600
   0.31884278  0.63018800  0.43336084
   0.04957418  0.63523378  0.40305686
   0.19111512  0.49861368  0.55056417
   0.34173091  0.71897160  0.77092289
   0.13794243  0.75193767  0.54788191
   0.39964813  0.99600180  0.79457370
   0.47407210  0.88892531  0.64239019
   0.20249828  0.91681038  0.67944725
   0.28616872  0.69621612 -0.04747379
   0.01333721  0.65865790  0.91632577
   0.61604559  0.04820261  0.11254536
   0.84882554  0.17736331  0.24022017
   0.66656084  0.28371789  0.01990486
   0.85845524  0.43314971  0.36350010
   0.03386633  0.37745522  0.18664893
   0.77519047  0.41764531  0.15552124
   0.69637972  0.16948411  0.39679069
   0.45193663  0.13239890  0.44120972
   0.64509885  0.07610213  0.57095040
   0.85404733  0.20958989  0.80212957
   0.58997394  0.32947895  0.53838637
   0.84791135  0.44545295  0.87818857
   1.02291360  0.44722806  0.69659457
   0.74312044  0.41928964  0.68759638
   0.74298792  0.05271860  0.94705013
   0.48816899  0.08092558  0.95391552
   0.55248366  0.52610347  0.07393472
   0.83754965  0.68531620  0.27664166
   0.56981996  0.80177970  0.03857366
   0.81058641  0.94335428  0.32385990
   0.90587554  0.88764713  0.15930952
   0.65348816  0.82170565  0.21045679
   0.80666923  0.65821120  0.46575604
   0.57984981  0.58385435  0.38114376
   0.61182183  0.59316589  0.56390233
   0.81872094  0.69888149  0.79173440
   0.60188213  0.82840670  0.44564442
   0.92921255  0.95791448  0.82461849
   0.95540371  0.82031770  0.66809557
   0.70852070  0.93660740  0.72564185
   0.76984661  0.64401309  0.98551408
   0.53416926  0.62930971  0.89624967
   0.71186051  0.81525297  0.57900872
   0.57753756  0.83781313  0.37316387
   0.88617184  0.21661885  0.06579629
   0.92752666  0.39901894  0.31276543
   0.35203940  0.10967019  0.63120765
   0.24283699  0.76085812  0.75252034
   0.19504409  1.10336504  0.17394057
   0.25665932  1.10885130  0.05915050
   0.62639099  0.33122988  0.84961722
   0.94571891  0.48811042  0.67687415
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.981392    0.001254   -0.111805
    -0.000000    9.680486    0.000418
    -0.000000    0.000000   13.994247
   Si   O    H 
    32    64    10
Direct configuration=  2462
   0.16017488  0.18035710 -0.01990797
   0.32987952  0.09535335  0.37391590
   0.14500864  0.42320487  0.10409947
   0.38022470  0.31849109  0.23395499
   0.06763412  0.14775969  0.48942919
   0.39624560  0.12858205  0.85963295
   0.12468430  0.38435201  0.62630560
   0.38015820  0.38252753  0.75033973
   0.13315754  0.69814348 -0.00937664
   0.41743516  0.57463742  0.35327962
   0.06496844  0.90256716  0.13837318
   0.31223553  0.83092138  0.24826321
   0.16305441  0.62829942  0.48090091
   0.37934995  0.62734805  0.86416368
   0.07641296  0.88240482  0.60878948
   0.35485248  0.98276291  0.68745070
   0.63255282  0.12183539  1.00837044
   0.82874498  0.11316031  0.34512345
   0.62723431  0.38035675  0.10902268
   0.89423926  0.29231644  0.15662708
   0.59915596  0.18032463  0.48884721
   0.87841618  0.09365623  0.88321935
   0.61565803  0.44726157  0.61524071
   0.75459618  0.34819069  0.79695073
   0.61326861  0.64986413 -0.00101993
   0.88852319  0.59864599  0.37031203
   0.55936927  0.89627236  0.12937217
   0.80806869  0.83774160  0.24053723
   0.64555013  0.66876187  0.46752454
   0.85916105  0.61630657  0.88924205
   0.63102470  0.92171135  0.62119530
   0.84724879  0.85485796  0.75315125
   0.10102797  0.06059209  0.16596502
   0.31919514  0.17801163  0.26974219
   0.13456206  0.34594406  0.00081265
   0.38973653  0.41614799  0.33144802
   0.52227421  0.29335212  0.17860051
   0.28757420  0.40681723  0.16114207
   0.19871295  0.15114457  0.43739410
  -0.05374713  0.15902817  0.41681262
   0.02661062  0.00425654  0.53958712
   0.44309870  0.24984328  0.80093460
   0.05992230  0.27091794  0.56248516
   0.34385173  0.47334203  0.84288739
   0.49288129  0.45279914  0.68535264
   0.25307973  0.33009369  0.68735171
   0.23977611  0.17166276 -0.12064287
   0.00220704  0.13417679  0.95433043
   0.11743873  0.59044346  0.08796498
   0.36928988  0.67482228  0.26866481
   0.10057128  0.84621190  0.03246467
   0.31068797  0.93762358  0.33869643
   0.40214628  0.90657747  0.16417987
   0.15908067  0.81042587  0.20869721
   0.31813701  0.62866846  0.43260307
   0.04823738  0.63448346  0.40411912
   0.18977128  0.49777302  0.54955846
   0.34140016  0.71906414  0.76993946
   0.13726930  0.75043751  0.54687014
   0.40021357  0.99468995  0.79495522
   0.47260284  0.88658000  0.64238726
   0.20173384  0.91674631  0.68004349
   0.28731513  0.69534057 -0.04785145
   0.01102611  0.65994247  0.91536839
   0.61413365  0.04850373  0.11280141
   0.84936719  0.17746084  0.24007367
   0.66559305  0.28456594  0.02099834
   0.85861708  0.43406194  0.36434710
   0.03304863  0.37687952  0.18773646
   0.77511846  0.41766629  0.15613908
   0.69713579  0.17015748  0.39756784
   0.45195610  0.13592847  0.44355005
   0.64390294  0.07488086  0.57128189
   0.85451894  0.20846660  0.80218299
   0.58878886  0.33059971  0.53867947
   0.84681091  0.44580679  0.87722964
   1.02303624  0.44735917  0.69576261
   0.74440124  0.41809739  0.68687373
   0.74395575  0.05234295  0.94736258
   0.48933374  0.08091564  0.95240410
   0.55291251  0.52449573  0.07283721
   0.83658561  0.68447109  0.27688959
   0.57021785  0.80181143  0.03789247
   0.80955048  0.94416712  0.32473109
   0.90525914  0.88799252  0.15819890
   0.65277118  0.81984044  0.21084959
   0.80621945  0.65765944  0.46516050
   0.57912700  0.58174024  0.38035688
   0.61238670  0.59212639  0.56508821
   0.81781439  0.69998965  0.79279702
   0.60184436  0.82800683  0.44398308
   0.92904298  0.95866100  0.82525022
   0.95379526  0.81992967  0.66861000
   0.70918656  0.93674311  0.72547837
   0.77024803  0.64413519  0.98526947
   0.53429670  0.62795998  0.89583530
   0.71390943  0.80486865  0.58292252
   0.57978488  0.83937063  0.38344464
   0.88133311  0.21507412  0.06368722
   0.93360676  0.39673537  0.31879579
   0.35738739  0.11242218  0.63026449
   0.24769336  0.75898048  0.75979307
   0.18379396  1.09450775  0.17289480
   0.25361460  1.11339507  0.05769683
   0.63780736  0.32295567  0.84615859
   0.93618202  0.49060404  0.67997561
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982092    0.002145   -0.111245
    -0.000000    9.680011   -0.000818
    -0.000000    0.000000   13.994564
   Si   O    H 
    32    64    10
Direct configuration=  2463
   0.15962289  0.18023110 -0.01997717
   0.33029868  0.09730402  0.37360202
   0.14469596  0.42309725  0.10478493
   0.38021977  0.31736659  0.23397437
   0.06609228  0.14758519  0.48987587
   0.39551748  0.12795009  0.85915995
   0.12622494  0.38401750  0.62636042
   0.37903242  0.38338224  0.75054427
   0.13331845  0.69853334 -0.00976328
   0.41784308  0.57402824  0.35426018
   0.06507224  0.90183820  0.13871178
   0.31201223  0.83071886  0.24836149
   0.16310575  0.62815922  0.48106755
   0.37917301  0.62826941  0.86339882
   0.07716940  0.88278694  0.60817866
   0.35439586  0.98306091  0.68756465
   0.63192000  0.12113238  1.00909666
   0.82868201  0.11235181  0.34557689
   0.62694806  0.38048195  0.10916421
   0.89546102  0.29254296  0.15564852
   0.59822580  0.18073839  0.48808617
   0.87932144  0.09408322  0.88368087
   0.61624531  0.44864734  0.61545990
   0.75670459  0.34950345  0.79666182
   0.61277043  0.64894452 -0.00094065
   0.88879096  0.59853835  0.37026403
   0.56053193  0.89607078  0.13000129
   0.80691435  0.83640730  0.24167654
   0.64524543  0.66833851  0.46714854
   0.86027105  0.61728164  0.88931174
   0.63065374  0.92085271  0.62013920
   0.84725637  0.85514400  0.75339256
   0.09849113  0.05952036  0.16649420
   0.32022165  0.17794093  0.26917839
   0.13511264  0.34759584  0.00196748
   0.39176064  0.41599958  0.33153504
   0.52325554  0.29403392  0.17737030
   0.28870592  0.40758058  0.16210582
   0.20142584  0.15099650  0.43563846
  -0.05458781  0.15885125  0.41641314
   0.02663404  0.00486102  0.53998781
   0.44396758  0.24987454  0.80097881
   0.06185821  0.27076425  0.56135446
   0.34285703  0.47325516  0.84210024
   0.49288892  0.45308850  0.68502848
   0.25305975  0.33013272  0.68918497
   0.23959013  0.17301109 -0.12025575
   0.00122854  0.13483346  0.95419359
   0.11834673  0.58971374  0.08648466
   0.37062365  0.67635865  0.26984345
   0.10097105  0.84845910  0.03105996
   0.31073875  0.93624908  0.33950636
   0.40118265  0.90853166  0.16271839
   0.15883830  0.81138222  0.20925767
   0.31677952  0.62722600  0.43212716
   0.04600859  0.63386626  0.40463397
   0.18796139  0.49682521  0.54861425
   0.33931434  0.72005007  0.76922793
   0.13686188  0.74951180  0.54669049
   0.40050507  0.99271686  0.79502844
   0.47210315  0.88389829  0.64207018
   0.20146329  0.91618898  0.68020150
   0.28787550  0.69410523 -0.04836157
   0.00907732  0.66074821  0.91409436
   0.61301427  0.04835461  0.11360890
   0.84980535  0.17787171  0.23987014
   0.66513960  0.28548060  0.02165954
   0.85959573  0.43471848  0.36478715
   0.03185172  0.37544263  0.18902487
   0.77488676  0.41761483  0.15716595
   0.69765345  0.17097566  0.39852138
   0.45137697  0.13963662  0.44593600
   0.64309242  0.07285266  0.57183618
   0.85451402  0.20764108  0.80240511
   0.58797624  0.33180793  0.53804695
   0.84499322  0.44692249  0.87532268
   1.02222665  0.44786871  0.69562025
   0.74619179  0.41690625  0.68581152
   0.74475889  0.05212367  0.94709018
   0.49057836  0.08173300  0.95092600
   0.55354644  0.52274238  0.07138444
   0.83614345  0.68370024  0.27714837
   0.57144529  0.80192242  0.03659108
   0.80899898  0.94570758  0.32587697
   0.90545129  0.88815029  0.15731851
   0.65113023  0.81877647  0.21128064
   0.80585888  0.65743150  0.46451102
   0.57852380  0.57993085  0.37938050
   0.61269019  0.59145181  0.56574475
   0.81684472  0.70136413  0.79331424
   0.60217160  0.82698749  0.44306508
   0.92952584  0.95909187  0.82573103
   0.95194490  0.81998926  0.66913687
   0.70968993  0.93680548  0.72510039
   0.77042445  0.64461746  0.98490112
   0.53553590  0.62554911  0.89505158
   0.71134198  0.80036198  0.58646274
   0.57559910  0.84494133  0.37810435
   0.87811754  0.21496041  0.06649143
   0.93380504  0.39666294  0.32864992
   0.36176963  0.11549247  0.63082089
   0.25942562  0.75062990  0.76757430
   0.18820974  1.09444273  0.17346288
   0.24689141  1.11898563  0.04994051
   0.64206799  0.31529712  0.84409887
   0.93205889  0.48744840  0.68334615
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982656    0.003707   -0.110814
    -0.000000    9.679394   -0.001561
    -0.000000    0.000000   13.994399
   Si   O    H 
    32    64    10
Direct configuration=  2464
   0.15883004  0.18046092 -0.02013613
   0.33093476  0.09942351  0.37345050
   0.14408767  0.42352010  0.10578525
   0.37973096  0.31681363  0.23461390
   0.06411623  0.14711396  0.49031307
   0.39448780  0.12664766  0.85924075
   0.12769338  0.38400952  0.62641603
   0.37809357  0.38457873  0.75019992
   0.13303410  0.69866088 -0.00992517
   0.41809094  0.57358693  0.35540374
   0.06513119  0.90043775  0.13927116
   0.31207229  0.83018196  0.24818160
   0.16388594  0.62804593  0.48139287
   0.37860908  0.62942264  0.86245509
   0.07784071  0.88238880  0.60763857
   0.35418388  0.98312281  0.68724804
   0.63115417  0.12092918  1.00976444
   0.82862520  0.11152783  0.34581861
   0.62670039  0.38039115  0.10962665
   0.89632570  0.29289657  0.15514709
   0.59757082  0.18072128  0.48740253
   0.87955485  0.09401831  0.88457370
   0.61654286  0.44967424  0.61514329
   0.75954060  0.35080671  0.79669784
   0.61244848  0.64792443 -0.00069656
   0.88920489  0.59904999  0.37017756
   0.56119265  0.89573760  0.13065070
   0.80575780  0.83550810  0.24275392
   0.64489149  0.66747201  0.46724821
   0.86113590  0.61813652  0.88954539
   0.62984751  0.92008971  0.61940221
   0.84697026  0.85580598  0.75403827
   0.09575869  0.05894636  0.16629815
   0.32192363  0.17776754  0.26930180
   0.13640708  0.34889079  0.00321704
   0.39344533  0.41546595  0.33139741
   0.52427168  0.29511662  0.17658120
   0.28887972  0.40807930  0.16280837
   0.20447657  0.14986581  0.43424810
  -0.05542217  0.15865431  0.41599145
   0.02610009  0.00529568  0.54036755
   0.44548591  0.25117120  0.80032197
   0.06413452  0.27056264  0.55971903
   0.34191089  0.47270605  0.84141760
   0.49239704  0.45338297  0.68480917
   0.25305757  0.32935015  0.69052892
   0.23924515  0.17316207 -0.11949242
   0.00033346  0.13515564  0.95394212
   0.11973284  0.58904000  0.08423918
   0.37197714  0.67762911  0.27112917
   0.10043337  0.85055314  0.03002618
   0.31020247  0.93548634  0.34037990
   0.40035498  0.90940760  0.16186141
   0.15816886  0.81164297  0.20990946
   0.31501605  0.62631614  0.43177497
   0.04348357  0.63405637  0.40384633
   0.18568932  0.49572048  0.54791584
   0.33938793  0.72045861  0.76847721
   0.13603159  0.74981513  0.54686659
   0.40062628  0.99054945  0.79574994
   0.47153531  0.88090059  0.64192914
   0.20222491  0.91561990  0.68043564
   0.28896506  0.69202030 -0.04865767
   0.00783079  0.66136159  0.91270749
   0.61182014  0.04819387  0.11420217
   0.85005697  0.17838669  0.23887362
   0.66496432  0.28588867  0.02207879
   0.86057304  0.43622620  0.36573416
   0.03117889  0.37453262  0.19008432
   0.77500266  0.41689563  0.15792083
   0.69789556  0.17199822  0.39945697
   0.45008065  0.14209386  0.44825142
   0.64202405  0.07183078  0.57268668
   0.85412691  0.20805265  0.80263885
   0.58778032  0.33158614  0.53778232
   0.84302458  0.44774416  0.87269342
   1.02150858  0.44878211  0.69551475
   0.74817132  0.41509306  0.68498610
   0.74524265  0.05139193  0.94645732
   0.49148363  0.08289672  0.94962925
   0.55437216  0.52195299  0.06966024
   0.83618058  0.68262269  0.27803894
   0.57258532  0.80204727  0.03539700
   0.80890954  0.94775713  0.32695656
   0.90622161  0.88718768  0.15695122
   0.64947869  0.81780768  0.21153154
   0.80581513  0.65752619  0.46431324
   0.57819865  0.57744930  0.37824358
   0.61335986  0.59112290  0.56639391
   0.81559428  0.70309349  0.79362749
   0.60172831  0.82655628  0.44191569
   0.92958937  0.95897302  0.82574216
   0.95073071  0.81921671  0.66970379
   0.71034502  0.93695331  0.72461431
   0.77116420  0.64518364  0.98421915
   0.53682439  0.62375315  0.89421161
   0.70716854  0.79660457  0.58745805
   0.56932818  0.84967849  0.37098040
   0.87378855  0.21838178  0.06950862
   0.93374073  0.39459854  0.33825403
   0.36376843  0.11882967  0.63462922
   0.23780696  0.75652488  0.77479958
   0.19646868  1.09635947  0.17537516
   0.23927315  1.12346957  0.04486759
   0.63757472  0.30570485  0.84254263
   0.93270278  0.48146618  0.68681134
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983522    0.004836   -0.110168
    -0.000000    9.678871   -0.002566
    -0.000000    0.000000   13.994039
   Si   O    H 
    32    64    10
Direct configuration=  2465
   0.15747178  0.18083157 -0.02033903
   0.33108874  0.10131502  0.37339765
   0.14414089  0.42399460  0.10689405
   0.38001355  0.31655317  0.23490512
   0.06282306  0.14695052  0.49058892
   0.39351051  0.12544187  0.85930845
   0.12858003  0.38443843  0.62620306
   0.37752482  0.38491900  0.74967121
   0.13320679  0.69829579 -0.00978504
   0.41791276  0.57289692  0.35657273
   0.06455267  0.89875577  0.13964560
   0.31199640  0.82925995  0.24807430
   0.16520548  0.62741293  0.48115055
   0.37857420  0.63067381  0.86171715
   0.07806899  0.88149167  0.60715871
   0.35343639  0.98258437  0.68677065
   0.62991405  0.12043106  1.01067105
   0.82896077  0.11046035  0.34624455
   0.62636591  0.38066461  0.10991785
   0.89614849  0.29333982  0.15495558
   0.59723188  0.18028140  0.48682694
   0.87953312  0.09380110  0.88549737
   0.61693065  0.45032905  0.61532251
   0.76248353  0.35253753  0.79665651
   0.61224929  0.64709476 -0.00044289
   0.88940783  0.59968255  0.37042737
   0.56209851  0.89629481  0.13086631
   0.80444008  0.83484513  0.24386801
   0.64482765  0.66623265  0.46743100
   0.86149833  0.61875255  0.88964385
   0.62911963  0.91904655  0.61853422
   0.84636442  0.85653429  0.75436761
   0.09353543  0.05868967  0.16629584
   0.32318933  0.17726783  0.26939479
   0.13743338  0.34953166  0.00455416
   0.39508413  0.41424694  0.33107995
   0.52554142  0.29646682  0.17638946
   0.28821969  0.40881266  0.16368037
   0.20720706  0.14869086  0.43309268
  -0.05564367  0.15897951  0.41477716
   0.02566589  0.00564155  0.54113756
   0.44688342  0.25286603  0.79929140
   0.06649272  0.27032537  0.55874605
   0.34131721  0.47184957  0.84112816
   0.49183285  0.45384641  0.68534405
   0.25290409  0.32773749  0.69182174
   0.23869221  0.17397343 -0.11829681
   0.00041346  0.13540102  0.95396159
   0.12107347  0.58938695  0.08283213
   0.37347704  0.67869973  0.27177381
   0.09947526  0.85255973  0.02898791
   0.30958595  0.93476880  0.34140485
   0.39983976  0.91046599  0.16084087
   0.15725254  0.81166205  0.21094465
   0.31320844  0.62571503  0.43091445
   0.04171822  0.63387787  0.40311833
   0.18255815  0.49423702  0.54764635
   0.33827951  0.71971832  0.76718527
   0.13549841  0.75107607  0.54717498
   0.40110073  0.98776221  0.79704377
   0.47173745  0.87780240  0.64159902
   0.20270798  0.91548033  0.68005966
   0.28946742  0.68934132 -0.04847588
   0.00733648  0.66315284  0.91171413
   0.61084413  0.04805879  0.11442998
   0.85005569  0.17870194  0.23786733
   0.66511928  0.28639617  0.02266074
   0.86060655  0.43727648  0.36692756
   0.03045051  0.37345000  0.19068028
   0.77566114  0.41591285  0.15853764
   0.69911384  0.17346295  0.40022958
   0.44879024  0.14339085  0.45021559
   0.64127931  0.07050952  0.57327386
   0.85386267  0.20882036  0.80254137
   0.58696520  0.33132177  0.53740621
   0.84015280  0.44865567  0.87068425
   1.02077520  0.45014492  0.69589668
   0.74999971  0.41318212  0.68423861
   0.74681391  0.05065893  0.94535789
   0.49230575  0.08446348  0.94843663
   0.55589062  0.52130173  0.06811869
   0.83577096  0.68140646  0.27876874
   0.57298940  0.80164319  0.03403944
   0.80906458  0.94988698  0.32823884
   0.90675900  0.88703203  0.15634881
   0.64891392  0.81779743  0.21213121
   0.80625954  0.65786343  0.46406117
   0.57718851  0.57528820  0.37695336
   0.61346611  0.59099699  0.56672921
   0.81470361  0.70480733  0.79459118
   0.60147345  0.82575384  0.44050998
   0.92991805  0.95880299  0.82563493
   0.95019620  0.81855567  0.66971722
   0.71091891  0.93674591  0.72373753
   0.77194167  0.64540873  0.98253544
   0.53807313  0.62186277  0.89416708
   0.70188147  0.79960615  0.58628234
   0.56654041  0.84808894  0.37143432
   0.87270922  0.21470048  0.06788333
   0.94303604  0.38565178  0.34335501
   0.36267577  0.11856141  0.63930959
   0.22880468  0.75899885  0.78046206
   0.19356798  1.09397176  0.17695610
   0.24374841  1.12014205  0.04650817
   0.63237724  0.29765191  0.83785874
   0.93235864  0.47739436  0.69060690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983852    0.005839   -0.109105
    -0.000000    9.678616   -0.003475
    -0.000000    0.000000   13.993591
   Si   O    H 
    32    64    10
Direct configuration=  2466
   0.15599451  0.18211132 -0.02016962
   0.33124424  0.10269196  0.37370985
   0.14422111  0.42445174  0.10771472
   0.38097943  0.31659838  0.23511784
   0.06146957  0.14667706  0.49102502
   0.39241313  0.12474691  0.85951657
   0.12919599  0.38483202  0.62640932
   0.37737248  0.38523747  0.74846521
   0.13360576  0.69828512 -0.00989401
   0.41714518  0.57210372  0.35805284
   0.06406482  0.89741618  0.13968296
   0.31163487  0.82865473  0.24808891
   0.16606352  0.62689199  0.48047374
   0.37810468  0.63146532  0.86073034
   0.07844434  0.88100641  0.60709121
   0.35250932  0.98134732  0.68632902
   0.62941086  0.11984393  1.01136937
   0.82956513  0.11008408  0.34594022
   0.62557439  0.38113849  0.11003334
   0.89549726  0.29371205  0.15501743
   0.59681417  0.18003607  0.48661819
   0.87940902  0.09367072  0.88619964
   0.61738908  0.45062626  0.61555953
   0.76541830  0.35454131  0.79666847
   0.61214035  0.64623711 -0.00068100
   0.88992011  0.60039188  0.37088747
   0.56235864  0.89576487  0.13091016
   0.80331723  0.83438743  0.24499402
   0.64432554  0.66510192  0.46708209
   0.86131625  0.61938631  0.88955047
   0.62835330  0.91771400  0.61740784
   0.84582524  0.85673548  0.75485535
   0.09189297  0.06000563  0.16648740
   0.32446228  0.17735774  0.26966405
   0.13782087  0.35030501  0.00600705
   0.39671420  0.41200984  0.33049212
   0.52531797  0.29755938  0.17615411
   0.28777595  0.40988884  0.16408288
   0.20901138  0.14728649  0.43247333
  -0.05618229  0.15985662  0.41366513
   0.02448446  0.00524512  0.54166727
   0.44807751  0.25362438  0.79864762
   0.06842067  0.27038056  0.55789972
   0.34115154  0.47020946  0.84118195
   0.49057654  0.45478324  0.68575151
   0.25262328  0.32689231  0.69259773
   0.23904473  0.17399414 -0.11672422
   0.00054777  0.13605880  0.95404747
   0.12231569  0.58929413  0.08155332
   0.37546278  0.68062171  0.27169744
   0.09865490  0.85524873  0.02800063
   0.30892120  0.93406968  0.34207681
   0.39932686  0.91147286  0.15974044
   0.15561827  0.81141448  0.21156041
   0.31074615  0.62496936  0.43042983
   0.04079055  0.63324345  0.40276532
   0.18038834  0.49309755  0.54781679
   0.33701380  0.71925803  0.76665149
   0.13444856  0.75275228  0.54740565
   0.40137030  0.98496437  0.79861523
   0.47145230  0.87551850  0.64096791
   0.20272322  0.91542215  0.67984854
   0.29041099  0.68650788 -0.04841101
   0.00844281  0.66461440  0.91068862
   0.61021679  0.04781837  0.11502327
   0.84958083  0.17911827  0.23707743
   0.66492372  0.28670710  0.02301871
   0.86079562  0.43778068  0.36807454
   0.03033209  0.37301344  0.19045364
   0.77595055  0.41465491  0.15890944
   0.69978334  0.17403845  0.40095663
   0.44719353  0.14396348  0.45195368
   0.64060639  0.06934968  0.57360612
   0.85357341  0.20928671  0.80275246
   0.58616710  0.33028112  0.53700690
   0.83774768  0.45023356  0.86879385
   1.01998332  0.45149747  0.69632876
   0.75188414  0.41226801  0.68353703
   0.74786074  0.05016829  0.94414084
   0.49329861  0.08541498  0.94773161
   0.55747448  0.52043206  0.06645292
   0.83491496  0.68080295  0.27904811
   0.57307032  0.80181317  0.03355195
   0.80871222  0.95130598  0.32991326
   0.90681001  0.88710649  0.15565173
   0.64852653  0.81721636  0.21220426
   0.80738620  0.65798357  0.46401863
   0.57612923  0.57301951  0.37614196
   0.61331592  0.59116072  0.56624956
   0.81362382  0.70584115  0.79549363
   0.60138376  0.82484690  0.43996415
   0.93044249  0.95778185  0.82514844
   0.95029234  0.81800439  0.66991348
   0.71036623  0.93613315  0.72269082
   0.77236619  0.64579009  0.98145363
   0.53959340  0.62022638  0.89399084
   0.69926894  0.80209861  0.58369703
   0.56808108  0.84210328  0.37930479
   0.87586286  0.21104540  0.06750931
   0.94334147  0.37994317  0.34869487
   0.36192135  0.11994456  0.64695157
   0.23777186  0.75642885  0.78366565
   0.18170949  1.08756189  0.17827502
   0.25120618  1.11404564  0.05311581
   0.62747338  0.28869098  0.83162145
   0.92079860  0.47524099  0.69183870
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984350    0.006276   -0.107771
    -0.000000    9.678267   -0.004563
    -0.000000    0.000000   13.992868
   Si   O    H 
    32    64    10
Direct configuration=  2467
   0.15444958  0.18360894 -0.02010057
   0.33174153  0.10352664  0.37420232
   0.14436741  0.42604353  0.10904727
   0.38193784  0.31754592  0.23529995
   0.06090211  0.14607151  0.49148365
   0.39128708  0.12405953  0.85947869
   0.12924871  0.38491535  0.62668733
   0.37742646  0.38555637  0.74749061
   0.13387421  0.69767118 -0.00993257
   0.41567315  0.57170412  0.35931563
   0.06386141  0.89643197  0.13978383
   0.31127893  0.82800614  0.24811171
   0.16690122  0.62604982  0.48006405
   0.37803686  0.63206034  0.86000482
   0.07841811  0.88052506  0.60708839
   0.35170796  0.98002756  0.68581037
   0.62925616  0.11923543  1.01180666
   0.83012035  0.11021928  0.34558595
   0.62428327  0.38246716  0.11077951
   0.89450622  0.29416832  0.15520115
   0.59693821  0.17939367  0.48659558
   0.88009780  0.09326908  0.88694722
   0.61807360  0.45064646  0.61593425
   0.76793257  0.35548224  0.79632700
   0.61195446  0.64587126 -0.00078103
   0.89023154  0.60101204  0.37169941
   0.56206735  0.89549549  0.13111456
   0.80204904  0.83451967  0.24577447
   0.64418981  0.66409988  0.46651279
   0.86106613  0.61989754  0.88881976
   0.62753988  0.91715643  0.61651878
   0.84481340  0.85672732  0.75527924
   0.09068974  0.06149376  0.16647042
   0.32501390  0.17787414  0.26969297
   0.13844818  0.34979075  0.00805313
   0.39815058  0.40943779  0.32943961
   0.52504880  0.29845577  0.17614251
   0.28669750  0.41006522  0.16438668
   0.20999650  0.14659144  0.43188217
  -0.05606082  0.16081863  0.41329338
   0.02290893  0.00465937  0.54262481
   0.44951888  0.25357119  0.79792376
   0.06987787  0.27039154  0.55823055
   0.34101647  0.46880535  0.84126387
   0.48922400  0.45586099  0.68580872
   0.25171360  0.32679692  0.69292706
   0.23944578  0.17353367 -0.11544261
   0.00122996  0.13592749  0.95417470
   0.12339173  0.58934615  0.08083479
   0.37724276  0.68221664  0.27108220
   0.09769786  0.85766355  0.02701229
   0.30826167  0.93360869  0.34194807
   0.39905396  0.91123379  0.15907717
   0.15498652  0.81136113  0.21187668
   0.30809237  0.62435016  0.43007665
   0.04149196  0.63256610  0.40175181
   0.17900035  0.49121787  0.54812874
   0.33476273  0.71924233  0.76604943
   0.13364006  0.75324095  0.54789627
   0.40089827  0.98222451  0.80012972
   0.47098441  0.87413537  0.64037362
   0.20277676  0.91588327  0.67941761
   0.29000777  0.68407669 -0.04785869
   0.00953980  0.66623254  0.90954739
   0.60954723  0.04795303  0.11547171
   0.84992857  0.17911085  0.23631498
   0.66495059  0.28600600  0.02330963
   0.86121005  0.43742517  0.36920225
   0.03127052  0.37269516  0.18988642
   0.77595062  0.41325753  0.15934073
   0.70006234  0.17487221  0.40164013
   0.44564595  0.14397782  0.45307156
   0.64072589  0.06891321  0.57407501
   0.85330552  0.20922269  0.80353806
   0.58531298  0.32946526  0.53710220
   0.83650200  0.45343837  0.86663967
   1.01837866  0.45271259  0.69656567
   0.75333466  0.41176443  0.68264674
   0.74898246  0.04910674  0.94303674
   0.49379499  0.08606077  0.94700792
   0.55953403  0.51988479  0.06446003
   0.83383390  0.68039365  0.27900959
   0.57302309  0.80186422  0.03333110
   0.80779187  0.95171445  0.33153471
   0.90540405  0.88683640  0.15488458
   0.64750234  0.81652748  0.21209133
   0.80787841  0.65806843  0.46402694
   0.57558985  0.57135706  0.37620965
   0.61296478  0.59115035  0.56508425
   0.81208750  0.70598167  0.79646842
   0.60200196  0.82428306  0.44041140
   0.93141065  0.95665007  0.82487372
   0.94952152  0.81789340  0.66923568
   0.70948066  0.93556882  0.72114024
   0.77265866  0.64587472  0.98072092
   0.54100747  0.61831349  0.89342185
   0.69933011  0.80211313  0.57897669
   0.56571864  0.84150144  0.37856693
   0.88195365  0.20763398  0.06660654
   0.93567457  0.37903536  0.35324515
   0.35985071  0.12374473  0.65145119
   0.25961335  0.74782319  0.78257575
   0.17425936  1.08529747  0.18314461
   0.25626127  1.11209497  0.05749147
   0.62640824  0.28562478  0.82464305
   0.92092920  0.47177680  0.69074908
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.984800    0.006116   -0.107448
    -0.000000    9.678332   -0.005230
    -0.000000    0.000000   13.992275
   Si   O    H 
    32    64    10
Direct configuration=  2468
   0.15304713  0.18510454 -0.01953863
   0.33252814  0.10395258  0.37459401
   0.14401842  0.42798318  0.11061071
   0.38265772  0.31831546  0.23509110
   0.06060812  0.14511177  0.49155769
   0.39045581  0.12265908  0.85922600
   0.13006009  0.38525155  0.62717054
   0.37741463  0.38628758  0.74694545
   0.13422849  0.69648985 -0.00932037
   0.41501710  0.57121548  0.36050528
   0.06349269  0.89585609  0.13957885
   0.31111579  0.82798609  0.24791678
   0.16675440  0.62545345  0.47982740
   0.37813401  0.63288692  0.85964672
   0.07884746  0.88014613  0.60735892
   0.35134394  0.97825675  0.68551094
   0.62895525  0.11898121  1.01199226
   0.83056904  0.11043363  0.34504148
   0.62343598  0.38396337  0.11155463
   0.89357069  0.29418355  0.15518528
   0.59660972  0.17815246  0.48653636
   0.88069315  0.09317451  0.88721227
   0.61837106  0.45050676  0.61661388
   0.76961313  0.35535519  0.79546097
   0.61172707  0.64567143 -0.00079909
   0.88970048  0.60168058  0.37214454
   0.56145657  0.89474630  0.13120034
   0.80099052  0.83479893  0.24607984
   0.64457331  0.66305187  0.46657110
   0.86083940  0.61964556  0.88781139
   0.62634584  0.91660964  0.61571197
   0.84412979  0.85724865  0.75543485
   0.08867489  0.06292448  0.16649379
   0.32538304  0.17687145  0.26948336
   0.13848564  0.34977119  0.00963589
   0.39939376  0.40870981  0.32859589
   0.52533132  0.29960540  0.17628987
   0.28597246  0.41057989  0.16467039
   0.20969759  0.14629455  0.43162545
  -0.05533092  0.16202442  0.41266563
   0.02147039  0.00376043  0.54314921
   0.45042124  0.25296300  0.79718963
   0.07102587  0.26924949  0.55845551
   0.34162337  0.46781006  0.84139817
   0.48794193  0.45635443  0.68547764
   0.25077986  0.32615545  0.69283829
   0.24043398  0.17299897 -0.11436203
   0.00189125  0.13575097  0.95414554
   0.12401008  0.58977741  0.07959801
   0.37892886  0.68321031  0.27013217
   0.09792244  0.85940688  0.02682759
   0.30695069  0.93340119  0.34199671
   0.39830510  0.91108871  0.15907064
   0.15431087  0.81130306  0.21199994
   0.30578918  0.62411869  0.42999045
   0.04273250  0.63156273  0.40105103
   0.17756177  0.48953897  0.54853297
   0.33492526  0.71785618  0.76504143
   0.13330506  0.75388535  0.54845852
   0.39995329  0.97993279  0.80143338
   0.47092260  0.87267430  0.63920514
   0.20313321  0.91592343  0.67872548
   0.28932282  0.68217191 -0.04760984
   0.01127711  0.66767848  0.90808956
   0.60855363  0.04860975  0.11584303
   0.84952082  0.17959664  0.23584118
   0.66445845  0.28495749  0.02391269
   0.86145539  0.43807546  0.37022360
   0.03228625  0.37147084  0.18924434
   0.77574542  0.41272369  0.15957418
   0.70084804  0.17517965  0.40216618
   0.44405909  0.14365872  0.45431824
   0.64081822  0.06823696  0.57393686
   0.85295039  0.21002685  0.80439633
   0.58487616  0.32833422  0.53755495
   0.83608011  0.45735342  0.86515570
   1.01648025  0.45275200  0.69695271
   0.75479837  0.41083266  0.68152745
   0.74965061  0.04847141  0.94230182
   0.49430718  0.08613172  0.94712716
   0.56119248  0.51941130  0.06246905
   0.83317132  0.67954014  0.27893211
   0.57320307  0.80197359  0.03325360
   0.80687086  0.95242313  0.33310668
   0.90275194  0.88644783  0.15491181
   0.64696120  0.81551215  0.21204025
   0.80838730  0.65828538  0.46382448
   0.57511578  0.57034798  0.37618630
   0.61261941  0.59147633  0.56374125
   0.80967046  0.70615237  0.79752283
   0.60221926  0.82312602  0.44098059
   0.93241767  0.95646763  0.82473920
   0.94919655  0.81799305  0.66830653
   0.70804043  0.93400885  0.72002709
   0.77350687  0.64614867  0.98044025
   0.54193955  0.61676484  0.89291215
   0.69797094  0.79947762  0.57185329
   0.55862894  0.84228694  0.37537831
   0.89372311  0.20739711  0.06763164
   0.92970706  0.37314374  0.35675228
   0.35515476  0.12527731  0.65468995
   0.23908987  0.75850794  0.78687220
   0.18432067  1.09372092  0.19075859
   0.25414996  1.11610762  0.05726698
   0.63237943  0.28821876  0.81738771
   0.92456295  0.46753908  0.68978631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985371    0.006186   -0.107080
    -0.000000    9.678403   -0.005954
    -0.000000    0.000000   13.991534
   Si   O    H 
    32    64    10
Direct configuration=  2469
   0.15186989  0.18632818 -0.01834513
   0.33314258  0.10413078  0.37487272
   0.14374052  0.42954510  0.11201789
   0.38347952  0.31947083  0.23484512
   0.05999330  0.14378613  0.49117549
   0.39014686  0.12132325  0.85846880
   0.13045843  0.38536151  0.62755538
   0.37735022  0.38649976  0.74671736
   0.13430461  0.69517214 -0.00883945
   0.41408580  0.57107777  0.36104465
   0.06319248  0.89447282  0.13950549
   0.31076690  0.82842728  0.24776558
   0.16623791  0.62408327  0.47987959
   0.37875324  0.63349206  0.85971718
   0.07888750  0.88029975  0.60769590
   0.35104948  0.97681348  0.68516328
   0.62802673  0.11972821  1.01219351
   0.83092304  0.11093196  0.34430333
   0.62276506  0.38531849  0.11182955
   0.89202713  0.29391941  0.15536240
   0.59584512  0.17728082  0.48697262
   0.88172560  0.09220902  0.88708097
   0.61778683  0.44968449  0.61728525
   0.77066667  0.35445173  0.79474117
   0.61196121  0.64547138 -0.00079352
   0.88949847  0.60178172  0.37252781
   0.56022184  0.89429761  0.13144881
   0.80022791  0.83572959  0.24625197
   0.64514553  0.66215150  0.46627939
   0.86036403  0.61879878  0.88675453
   0.62489324  0.91612012  0.61503825
   0.84309419  0.85857725  0.75486458
   0.08758898  0.06389314  0.16631084
   0.32582642  0.17569465  0.26948153
   0.13785416  0.34962249  0.01125052
   0.40106898  0.40748087  0.32863005
   0.52461605  0.30043263  0.17765110
   0.28593008  0.41073759  0.16448654
   0.20864006  0.14635667  0.43171706
  -0.05421509  0.16400114  0.41228333
   0.01938622  0.00263984  0.54319373
   0.45135105  0.25215944  0.79585080
   0.07184651  0.26825477  0.55928874
   0.34179729  0.46703468  0.84149783
   0.48747245  0.45698147  0.68469454
   0.24956359  0.32516818  0.69261796
   0.24092934  0.17281911 -0.11337795
   0.00211113  0.13600165  0.95307299
   0.12545947  0.59019564  0.07826175
   0.38144293  0.68357090  0.26927729
   0.09794701  0.86069187  0.02686364
   0.30677336  0.93447399  0.34209350
   0.39777722  0.91100039  0.15940137
   0.15485745  0.81027785  0.21212494
   0.30309125  0.62440724  0.43019531
   0.04389749  0.63040677  0.40003329
   0.17568162  0.48862597  0.54858593
   0.33366335  0.71711524  0.76408110
   0.13265118  0.75495646  0.54874675
   0.39922100  0.97806991  0.80184020
   0.47041757  0.87218709  0.63818691
   0.20335975  0.91628053  0.67803685
   0.28826428  0.68070638 -0.04730302
   0.01434120  0.66953516  0.90655720
   0.60797228  0.04905282  0.11543245
   0.84807240  0.18040561  0.23593006
   0.66342873  0.28268185  0.02373909
   0.86151519  0.43951024  0.37120997
   0.03295663  0.37078107  0.18815167
   0.77496201  0.41236749  0.15926727
   0.70079896  0.17555511  0.40295636
   0.44320535  0.14288336  0.45512923
   0.64046918  0.06772705  0.57335379
   0.85377215  0.21019604  0.80540943
   0.58524923  0.32713248  0.53832404
   0.83572504  0.46185634  0.86447725
   1.01472326  0.45306716  0.69792045
   0.75617999  0.41025280  0.68055362
   0.75016650  0.04718993  0.94184631
   0.49500349  0.08641681  0.94740383
   0.56258096  0.51952193  0.06031463
   0.83261663  0.67862667  0.27934791
   0.57335493  0.80228714  0.03335327
   0.80584309  0.95233698  0.33423026
   0.90033997  0.88578862  0.15563204
   0.64555570  0.81460181  0.21182981
   0.80850878  0.65768110  0.46332316
   0.57446820  0.56959687  0.37668437
   0.61185108  0.59264542  0.56243919
   0.80672379  0.70622072  0.79832116
   0.60210498  0.82231750  0.44227736
   0.93227407  0.95642651  0.82425261
   0.94877885  0.81790791  0.66751156
   0.70646021  0.93307875  0.71905835
   0.77322671  0.64605042  0.98000756
   0.54299164  0.61525776  0.89308928
   0.70009477  0.80075642  0.56736310
   0.55425213  0.83801633  0.37902218
   0.90578739  0.20940864  0.06938008
   0.92803667  0.36437197  0.36064762
   0.35009992  0.12999433  0.65645277
   0.22900791  0.76323488  0.78534626
   0.18552049  1.09700694  0.19615615
   0.24448931  1.12458321  0.05084091
   0.63904116  0.29117936  0.81237383
   0.92081383  0.46424012  0.68488719
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985893    0.006302   -0.106884
    -0.000000    9.677855   -0.006818
    -0.000000    0.000000   13.991011
   Si   O    H 
    32    64    10
Direct configuration=  2470
   0.15113187  0.18712172 -0.01710515
   0.33430700  0.10371786  0.37522879
   0.14383669  0.43096697  0.11315017
   0.38399387  0.32079804  0.23461787
   0.05927723  0.14175561  0.49068349
   0.38991938  0.12026165  0.85783669
   0.13076912  0.38535779  0.62789282
   0.37730156  0.38565204  0.74653071
   0.13351135  0.69470232 -0.00878843
   0.41344521  0.57062592  0.36106859
   0.06303578  0.89354789  0.13905968
   0.31028534  0.82946745  0.24782035
   0.16476421  0.62273432  0.48029573
   0.37946954  0.63344435  0.85985631
   0.07936179  0.88028602  0.60843110
   0.35111872  0.97507571  0.68458857
   0.62682397  0.12046266  1.01216090
   0.83125243  0.11163340  0.34351061
   0.62240127  0.38600139  0.11208739
   0.89054214  0.29381228  0.15619756
   0.59561317  0.17637321  0.48758805
   0.88288525  0.09141759  0.88676515
   0.61748325  0.44807749  0.61824312
   0.77173993  0.35266762  0.79397538
   0.61173938  0.64562614 -0.00077707
   0.88939499  0.60189675  0.37358820
   0.55851630  0.89389095  0.13129346
   0.79920918  0.83662960  0.24633999
   0.64509120  0.66203810  0.46582109
   0.86022505  0.61810346  0.88613107
   0.62350070  0.91470254  0.61456582
   0.84236757  0.85966864  0.75464062
   0.08677234  0.06480814  0.16540413
   0.32652220  0.17507592  0.26902177
   0.13770416  0.34920765  0.01281385
   0.40311092  0.40731043  0.32918066
   0.52423689  0.30040915  0.17889474
   0.28670799  0.41060821  0.16408026
   0.20620235  0.14692985  0.43195235
  -0.05278806  0.16646120  0.41256527
   0.01793876  0.00144547  0.54328688
   0.45183486  0.25098791  0.79475617
   0.07229883  0.26755811  0.56073539
   0.34200504  0.46749519  0.84175658
   0.48685329  0.45804616  0.68323233
   0.24773188  0.32356235  0.69197438
   0.24122802  0.17230698 -0.11306094
   0.00274559  0.13620775  0.95261604
   0.12632240  0.59093560  0.07730276
   0.38381853  0.68422766  0.26817083
   0.09855848  0.86131929  0.02675889
   0.30604520  0.93654587  0.34208154
   0.39713814  0.91100805  0.15947362
   0.15463341  0.80846859  0.21273840
   0.30013917  0.62476045  0.43094505
   0.04479232  0.62947574  0.39891572
   0.17359719  0.48888740  0.54907728
   0.33187179  0.71661916  0.76310987
   0.13199180  0.75653372  0.54924991
   0.39871069  0.97641649  0.80175202
   0.46984223  0.87236331  0.63709608
   0.20346432  0.91665856  0.67716186
   0.28702365  0.67973879 -0.04692380
   0.01833994  0.67150573  0.90510114
   0.60773585  0.04920172  0.11424716
   0.84664460  0.18119278  0.23680387
   0.66200478  0.28103255  0.02356119
   0.86208206  0.44004880  0.37259359
   0.03311424  0.36948994  0.18751372
   0.77420121  0.41229681  0.15860045
   0.70046133  0.17628019  0.40320433
   0.44242830  0.14232655  0.45566932
   0.64025796  0.06771355  0.57262443
   0.85461667  0.21090747  0.80655513
   0.58476019  0.32576529  0.53874285
   0.83587896  0.46584980  0.86430177
   1.01327540  0.45290740  0.69901731
   0.75786114  0.40961350  0.67946968
   0.75028990  0.04611493  0.94218566
   0.49550596  0.08721135  0.94765367
   0.56356007  0.52005516  0.05854806
   0.83178694  0.67791243  0.27958656
   0.57329691  0.80304590  0.03372464
   0.80512099  0.95122406  0.33497764
   0.89857604  0.88396071  0.15624533
   0.64460270  0.81330065  0.21219229
   0.80786366  0.65804659  0.46339060
   0.57337711  0.56940375  0.37688938
   0.61120731  0.59359897  0.56165307
   0.80451894  0.70630081  0.79896584
   0.60098014  0.82179478  0.44407420
   0.93129617  0.95706071  0.82390647
   0.94812859  0.81806162  0.66695931
   0.70447502  0.93214570  0.71802362
   0.77283631  0.64655956  0.98002854
   0.54279924  0.61407405  0.89324320
   0.70201406  0.80813985  0.56423794
   0.55301256  0.82993285  0.38645497
   0.91569066  0.21202652  0.07174503
   0.92247906  0.36069366  0.36387038
   0.34527419  0.12892032  0.65892773
   0.23257781  0.76069614  0.78116432
   0.17744212  1.09627409  0.19892500
   0.23640670  1.12958440  0.04747396
   0.64408612  0.29677755  0.81092368
   0.91648092  0.46425392  0.67643219
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986571    0.005941   -0.106093
    -0.000000    9.677368   -0.008120
    -0.000000    0.000000   13.990260
   Si   O    H 
    32    64    10
Direct configuration=  2471
   0.15149653  0.18778254 -0.01580425
   0.33532931  0.10247579  0.37551365
   0.14397342  0.43259412  0.11422382
   0.38486551  0.32165711  0.23445384
   0.05945694  0.14013558  0.49042947
   0.38994262  0.11984149  0.85767478
   0.13062220  0.38554520  0.62859628
   0.37716783  0.38513150  0.74679989
   0.13252297  0.69436350 -0.00908362
   0.41261383  0.57045293  0.36090966
   0.06270630  0.89318734  0.13881570
   0.31058962  0.83018463  0.24807441
   0.16292280  0.62152086  0.48068795
   0.38095763  0.63330941  0.85996521
   0.07910254  0.87966545  0.60902428
   0.35130305  0.97341098  0.68435300
   0.62621974  0.12134314  1.01183112
   0.83114327  0.11189435  0.34252071
   0.62186503  0.38672448  0.11188415
   0.88939701  0.29352792  0.15694348
   0.59574695  0.17529862  0.48847433
   0.88380991  0.09097691  0.88611437
   0.61744168  0.44642810  0.61936995
   0.77229499  0.35097873  0.79304279
   0.61198741  0.64655606 -0.00082774
   0.88967049  0.60194108  0.37469937
   0.55662476  0.89313584  0.13144231
   0.79858276  0.83751130  0.24598209
   0.64513800  0.66194867  0.46522550
   0.85993190  0.61757069  0.88582992
   0.62288815  0.91350703  0.61395106
   0.84152648  0.86074280  0.75428837
   0.08627938  0.06439120  0.16481613
   0.32762123  0.17426379  0.26867195
   0.13731435  0.34805226  0.01426583
   0.40410053  0.40774370  0.32986069
   0.52321516  0.29996124  0.18026086
   0.28769504  0.41040488  0.16349955
   0.20273789  0.14677607  0.43255728
  -0.05104932  0.16894300  0.41246422
   0.01689085  0.00000948  0.54309698
   0.45284399  0.24994229  0.79318367
   0.07215566  0.26703636  0.56137910
   0.34266219  0.46849962  0.84218408
   0.48613466  0.45911305  0.68102690
   0.24610470  0.32189615  0.69137027
   0.24242426  0.17175642 -0.11324303
   0.00447115  0.13717697  0.95227762
   0.12599472  0.59117537  0.07682367
   0.38541260  0.68459991  0.26738840
   0.09823540  0.86090357  0.02677328
   0.30600522  0.93921715  0.34255292
   0.39688289  0.91104792  0.15942247
   0.15446802  0.80579951  0.21322626
   0.29824891  0.62548432  0.43116055
   0.04604427  0.62912242  0.39794580
   0.17149915  0.48970980  0.54821268
   0.32913497  0.71596815  0.76250207
   0.13117190  0.75741815  0.54932508
   0.39789681  0.97550135  0.80167566
   0.46881580  0.87231055  0.63617719
   0.20320987  0.91658479  0.67669557
   0.28554785  0.67882265 -0.04664423
   0.02157591  0.67392126  0.90408247
   0.60844580  0.04951122  0.11351184
   0.84521423  0.18232275  0.23770433
   0.66129424  0.27947277  0.02378700
   0.86267847  0.44005484  0.37380749
   0.03295147  0.36931294  0.18673965
   0.77331203  0.41215232  0.15762548
   0.70006230  0.17694215  0.40293915
   0.44127469  0.14189898  0.45627132
   0.64142013  0.06820712  0.57196338
   0.85569042  0.21086410  0.80762557
   0.58473974  0.32476260  0.53932106
   0.83543709  0.46868835  0.86456572
   1.01184289  0.45214965  0.70020960
   0.75915763  0.40938947  0.67861252
   0.74974821  0.04513401  0.94248958
   0.49571717  0.08784927  0.94791393
   0.56457464  0.52032680  0.05788015
   0.83168070  0.67696163  0.27934259
   0.57297211  0.80380171  0.03413788
   0.80489641  0.94997928  0.33548559
   0.89733808  0.88152688  0.15737324
   0.64368679  0.81179091  0.21208531
   0.80742313  0.65730806  0.46371583
   0.57263900  0.57082363  0.37782785
   0.61063642  0.59468979  0.56155347
   0.80219736  0.70614464  0.79960167
   0.60034545  0.82172694  0.44579067
   0.92989529  0.95818367  0.82370017
   0.94772418  0.81840502  0.66573865
   0.70321114  0.93132603  0.71744371
   0.77189906  0.64768269  0.98049235
   0.54310512  0.61371193  0.89352662
   0.70509383  0.81723068  0.56543522
   0.54845729  0.82595692  0.38778680
   0.92096416  0.21591714  0.07400335
   0.91708953  0.36075049  0.36884593
   0.34160174  0.12120333  0.66014927
   0.25036878  0.75421082  0.77761109
   0.15989891  1.09327038  0.19738580
   0.23280032  1.12683859  0.05082504
   0.64357379  0.30480715  0.81118422
   0.91842624  0.46214077  0.66797614
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.987358    0.004978   -0.105270
    -0.000000    9.677109   -0.009336
    -0.000000    0.000000   13.989747
   Si   O    H 
    32    64    10
Direct configuration=  2472
   0.15158825  0.18803476 -0.01499335
   0.33569054  0.10121727  0.37569180
   0.14392741  0.43384503  0.11493276
   0.38559619  0.32268835  0.23410724
   0.06020996  0.13866500  0.49041873
   0.39089940  0.11961839  0.85764088
   0.13012950  0.38612916  0.62944783
   0.37677678  0.38346635  0.74724644
   0.13205179  0.69465058 -0.00986054
   0.41153563  0.56980895  0.36011522
   0.06203425  0.89299677  0.13888800
   0.31063195  0.83138531  0.24826915
   0.16158368  0.62100337  0.48114971
   0.38268125  0.63299261  0.86005077
   0.07857533  0.87926138  0.61003623
   0.35183270  0.97135071  0.68410744
   0.62609907  0.12175507  1.01143565
   0.83102470  0.11268441  0.34177910
   0.62216259  0.38731442  0.11189512
   0.88838412  0.29306555  0.15801171
   0.59611056  0.17438570  0.48938316
   0.88479837  0.09040038  0.88564414
   0.61812051  0.44467699  0.62002555
   0.77247376  0.34992400  0.79249768
   0.61233570  0.64774408 -0.00147936
   0.88995733  0.60165375  0.37586492
   0.55502984  0.89270326  0.13114722
   0.79822066  0.83813203  0.24559463
   0.64539223  0.66165187  0.46455598
   0.86028139  0.61813909  0.88570995
   0.62280148  0.91297279  0.61316474
   0.84115423  0.86105954  0.75402279
   0.08587137  0.06323491  0.16358203
   0.32855578  0.17363941  0.26881033
   0.13612959  0.34745828  0.01541783
   0.40540083  0.40935824  0.33057002
   0.52199522  0.29962244  0.18148224
   0.28799955  0.41017246  0.16355402
   0.19907606  0.14700043  0.43406311
  -0.05028077  0.17158115  0.41239087
   0.01630158 -0.00133960  0.54263900
   0.45328013  0.24875189  0.79154839
   0.07229854  0.26638775  0.56251657
   0.34252538  0.46952393  0.84259857
   0.48587564  0.46010527  0.67926815
   0.24480771  0.32065403  0.69118532
   0.24268288  0.17139812 -0.11438569
   0.00632069  0.13808210  0.95144350
   0.12623047  0.59031448  0.07689491
   0.38758262  0.68446420  0.26690234
   0.09764045  0.85994645  0.02687539
   0.30601924  0.94136966  0.34288333
   0.39727764  0.91023520  0.15915172
   0.15416733  0.80272493  0.21316942
   0.29780275  0.62570075  0.43113843
   0.04796221  0.62918004  0.39700252
   0.16977282  0.49067945  0.54733479
   0.32809721  0.71447378  0.76198911
   0.12992344  0.75771139  0.54913390
   0.39629286  0.97517141  0.80112875
   0.46784180  0.87304620  0.63577122
   0.20133720  0.91611468  0.67618399
   0.28471223  0.67867293 -0.04589263
   0.02424477  0.67640174  0.90356915
   0.60924217  0.04989192  0.11287597
   0.84321642  0.18303867  0.23919419
   0.65929654  0.27877692  0.02357234
   0.86323306  0.44016050  0.37472947
   0.03280936  0.36858900  0.18627392
   0.77287206  0.41178513  0.15615114
   0.70009721  0.17713466  0.40248357
   0.44113466  0.14084951  0.45711722
   0.64294814  0.06875919  0.57111283
   0.85624332  0.21101435  0.80821276
   0.58484484  0.32391715  0.53984263
   0.83557516  0.46964691  0.86455616
   1.01031180  0.45142379  0.70058414
   0.76062897  0.40909497  0.67811322
   0.74941738  0.04467185  0.94289328
   0.49531190  0.08817103  0.94847907
   0.56540120  0.52044330  0.05808456
   0.83209535  0.67619577  0.27875980
   0.57194013  0.80355900  0.03445724
   0.80457540  0.94868434  0.33564336
   0.89711685  0.87916472  0.15832096
   0.64256827  0.81084656  0.21234091
   0.80633833  0.65649054  0.46434593
   0.57202741  0.57208446  0.37855261
   0.60973462  0.59487715  0.56209133
   0.80053445  0.70617093  0.80026552
   0.59933320  0.82142739  0.44764834
   0.92752256  0.95919728  0.82336951
   0.94664653  0.81765893  0.66518130
   0.70186372  0.93002007  0.71712423
   0.77082014  0.64988590  0.98114365
   0.54325938  0.61339785  0.89389317
   0.71207526  0.82161786  0.56726745
   0.54277105  0.82387647  0.38640354
   0.92251334  0.21838729  0.07485276
   0.91754151  0.35475046  0.37096449
   0.34128019  0.11318037  0.65746519
   0.24932646  0.75311841  0.77808611
   0.16150631  1.09229599  0.20095662
   0.23444842  1.12117058  0.05763684
   0.63316110  0.31139908  0.81415731
   0.92663944  0.46157219  0.66197649
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988904    0.004166   -0.105048
    -0.000000    9.676924   -0.010633
    -0.000000    0.000000   13.989413
   Si   O    H 
    32    64    10
Direct configuration=  2473
   0.15170852  0.18829322 -0.01433515
   0.33545597  0.10057066  0.37565183
   0.14329028  0.43425006  0.11538121
   0.38615275  0.32389381  0.23396731
   0.06078653  0.13714836  0.49085885
   0.39196423  0.11924263  0.85788422
   0.12906973  0.38646726  0.63004126
   0.37634099  0.38198690  0.74765069
   0.13203214  0.69553380 -0.01080291
   0.41035304  0.56906889  0.35948589
   0.06177725  0.89232376  0.13956630
   0.31086135  0.83264098  0.24819622
   0.15937850  0.62063522  0.48171752
   0.38441812  0.63254845  0.86016189
   0.07750490  0.87899871  0.61076005
   0.35253664  0.96945619  0.68404582
   0.62596009  0.12158270  1.01047585
   0.83114371  0.11334094  0.34106935
   0.62270775  0.38783940  0.11177101
   0.88669608  0.29300487  0.15920917
   0.59618332  0.17379533  0.49017489
   0.88519894  0.08972093  0.88529062
   0.61875251  0.44289826  0.62066066
   0.77294544  0.34913728  0.79156832
   0.61223836  0.64985337 -0.00268836
   0.88998812  0.60182266  0.37642620
   0.55296388  0.89189409  0.13101333
   0.79848585  0.83804255  0.24481087
   0.64645177  0.66196337  0.46398173
   0.86143940  0.61906314  0.88596896
   0.62331494  0.91331300  0.61271288
   0.84104286  0.86129883  0.75367940
   0.08511095  0.06085397  0.16246462
   0.33019776  0.17319158  0.26922896
   0.13492413  0.34783217  0.01690843
   0.40700330  0.41091770  0.33113240
   0.52208942  0.29942507  0.18236617
   0.28824625  0.41026100  0.16381954
   0.19530436  0.14665375  0.43534014
  -0.04976772  0.17463696  0.41261500
   0.01590183 -0.00294452  0.54242360
   0.45413151  0.24789949  0.79065832
   0.07279416  0.26521039  0.56395789
   0.34197281  0.47068913  0.84253328
   0.48502549  0.46115840  0.67786979
   0.24462659  0.32032630  0.69141884
   0.24237795  0.17096695 -0.11571532
   0.00765505  0.13822625  0.95110530
   0.12701907  0.58996658  0.07728037
   0.38963568  0.68403101  0.26667805
   0.09768063  0.85893221  0.02713604
   0.30658534  0.94287514  0.34323866
   0.39830713  0.90948456  0.15964970
   0.15434076  0.80020612  0.21328182
   0.29825063  0.62598377  0.43084533
   0.04872782  0.62950685  0.39643423
   0.16853267  0.49170263  0.54639461
   0.32865390  0.71197736  0.76165560
   0.12946825  0.75639477  0.54872441
   0.39422112  0.97452970  0.80061499
   0.46706081  0.87348567  0.63571165
   0.19902207  0.91555114  0.67513041
   0.28417142  0.67876439 -0.04558824
   0.02689064  0.67915215  0.90305331
   0.61048183  0.05030287  0.11242916
   0.84125852  0.18331436  0.23993874
   0.65751450  0.27833001  0.02331271
   0.86366973  0.43973965  0.37549887
   0.03313374  0.36829432  0.18651884
   0.77225845  0.41190836  0.15481923
   0.70045761  0.17669787  0.40216942
   0.44077554  0.14053553  0.45788321
   0.64464511  0.06877623  0.56960250
   0.85765308  0.21189701  0.80907699
   0.58476155  0.32383237  0.54049158
   0.83523945  0.46914353  0.86408824
   1.00988258  0.45112502  0.70123061
   0.76128665  0.40919476  0.67753512
   0.74840818  0.04490255  0.94390394
   0.49406369  0.08856236  0.94958451
   0.56663892  0.51984381  0.05862269
   0.83227044  0.67667257  0.27834988
   0.57117229  0.80262261  0.03498972
   0.80498689  0.94795456  0.33577540
   0.89720781  0.87712807  0.15851064
   0.64113392  0.81016733  0.21269191
   0.80548957  0.65640911  0.46544995
   0.57152274  0.57404981  0.37941125
   0.60890987  0.59516973  0.56320389
   0.79948553  0.70663723  0.80040061
   0.59760390  0.82105471  0.44895545
   0.92572705  0.96010296  0.82281627
   0.94535270  0.81716831  0.66501851
   0.70171445  0.92873025  0.71709532
   0.76984680  0.65243049  0.98264554
   0.54313990  0.61381112  0.89451957
   0.72148724  0.82337671  0.57139027
   0.54253883  0.82740255  0.38781438
   0.91951439  0.21949503  0.07416810
   0.91781551  0.35470005  0.37279794
   0.34355424  0.10799226  0.65551832
   0.23366933  0.76166448  0.77995888
   0.16440461  1.08965745  0.20752751
   0.23640443  1.11323359  0.06248736
   0.62706156  0.31853874  0.81615038
   0.93531880  0.46096518  0.65890175
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990419    0.003240   -0.104529
    -0.000000    9.677083   -0.011411
    -0.000000    0.000000   13.988837
   Si   O    H 
    32    64    10
Direct configuration=  2474
   0.15208436  0.18830810 -0.01372531
   0.33489384  0.09964360  0.37574325
   0.14322414  0.43474051  0.11547898
   0.38691602  0.32485420  0.23404173
   0.06130792  0.13564181  0.49122296
   0.39286694  0.11890326  0.85781443
   0.12746009  0.38663673  0.63084660
   0.37611756  0.38070761  0.74805633
   0.13246641  0.69618212 -0.01157338
   0.40927630  0.56845826  0.35904834
   0.06155937  0.89119782  0.13993865
   0.31119043  0.83393318  0.24824704
   0.15708838  0.62022993  0.48242251
   0.38577484  0.63238095  0.86054019
   0.07572368  0.87912078  0.61192986
   0.35278894  0.96819939  0.68399838
   0.62639038  0.12134126  1.00900444
   0.83120704  0.11429633  0.34080645
   0.62331885  0.38779223  0.11169511
   0.88489003  0.29316838  0.15988297
   0.59627695  0.17296730  0.49079164
   0.88537680  0.08931058  0.88469116
   0.61960323  0.44095890  0.62102624
   0.77306236  0.34891910  0.79112295
   0.61192066  0.65211261 -0.00370366
   0.89009301  0.60234022  0.37711162
   0.55077055  0.89119422  0.13088281
   0.79913069  0.83713834  0.24429174
   0.64768420  0.66210647  0.46359174
   0.86320287  0.62036059  0.88680147
   0.62356092  0.91360356  0.61267321
   0.84096246  0.86116427  0.75321087
   0.08486205  0.05937562  0.16179370
   0.33149129  0.17283613  0.26945933
   0.13320834  0.34820634  0.01830693
   0.40706821  0.41267764  0.33235085
   0.52276223  0.29981192  0.18287440
   0.28925899  0.41078744  0.16426846
   0.19313893  0.14587056  0.43586220
  -0.04902150  0.17758805  0.41263335
   0.01569735 -0.00356757  0.54184403
   0.45530863  0.24709685  0.79002330
   0.07350914  0.26386531  0.56502587
   0.34163249  0.47141851  0.84202881
   0.48346330  0.46195619  0.67697931
   0.24453433  0.31930070  0.69220992
   0.24214848  0.17021422 -0.11661791
   0.00907044  0.13831734  0.95104654
   0.12797529  0.58937446  0.07761082
   0.39094496  0.68342842  0.26727688
   0.09793743  0.85677520  0.02766815
   0.30687489  0.94404730  0.34309645
   0.39834408  0.90850012  0.16071271
   0.15500751  0.79831905  0.21411305
   0.29930571  0.62655365  0.43071376
   0.04926114  0.62966361  0.39548118
   0.16746576  0.49292837  0.54585387
   0.32794545  0.70965672  0.76114626
   0.12840756  0.75460209  0.54786789
   0.39219483  0.97394204  0.80021548
   0.46625250  0.87429593  0.63492568
   0.19735402  0.91554109  0.67409868
   0.28464263  0.67848061 -0.04567077
   0.02805094  0.68168821  0.90251796
   0.61094862  0.05066812  0.11233010
   0.83961069  0.18335943  0.24001766
   0.65598057  0.27914963  0.02318034
   0.86399898  0.43880160  0.37587870
   0.03371273  0.36754193  0.18659729
   0.77224387  0.41209135  0.15412794
   0.70048306  0.17607182  0.40197896
   0.43929473  0.13954099  0.45909261
   0.64584266  0.06822799  0.56855089
   0.85967743  0.21260635  0.80932572
   0.58400227  0.32427001  0.54088311
   0.83440739  0.46768980  0.86368080
   1.01066064  0.45148704  0.70145078
   0.76161682  0.40944215  0.67654519
   0.74701259  0.04607815  0.94428069
   0.49236289  0.08793562  0.95034113
   0.56735672  0.51911848  0.05947174
   0.83271020  0.67728602  0.27785130
   0.56988119  0.80235614  0.03557771
   0.80525933  0.94734842  0.33575475
   0.89742490  0.87468711  0.15811907
   0.63984538  0.80995952  0.21328284
   0.80528575  0.65597537  0.46627779
   0.57076399  0.57541197  0.38042372
   0.60828925  0.59509873  0.56456810
   0.79784124  0.70913653  0.80027630
   0.59469767  0.82037843  0.44984026
   0.92362313  0.96150845  0.82249041
   0.94433664  0.81662148  0.66548214
   0.70053465  0.92691419  0.71699222
   0.76984810  0.65522443  0.98355498
   0.54265823  0.61494287  0.89544140
   0.72959835  0.82433147  0.57508051
   0.54566459  0.83138749  0.39138923
   0.91671161  0.21415858  0.06977792
   0.91562164  0.35933225  0.37332329
   0.34509442  0.10691254  0.65236189
   0.23409440  0.76359055  0.77858203
   0.16010236  1.08553906  0.20905498
   0.23794990  1.10985446  0.06476571
   0.62490209  0.32627375  0.81774529
   0.94025158  0.45880707  0.65508746
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.992265    0.002581   -0.103677
    -0.000000    9.677104   -0.012158
    -0.000000    0.000000   13.988465
   Si   O    H 
    32    64    10
Direct configuration=  2475
   0.15313692  0.18824219 -0.01245726
   0.33390251  0.09883897  0.37632716
   0.14359649  0.43557661  0.11548253
   0.38789984  0.32605355  0.23431581
   0.06132641  0.13393117  0.49156073
   0.39385253  0.11909858  0.85721933
   0.12589234  0.38712213  0.63149999
   0.37632447  0.37915598  0.74837547
   0.13256600  0.69704784 -0.01218813
   0.40753789  0.56881395  0.35885743
   0.06125545  0.89032610  0.13959725
   0.31172068  0.83572807  0.24826440
   0.15463156  0.61972679  0.48259289
   0.38590194  0.63212267  0.86079352
   0.07370175  0.87944929  0.61289801
   0.35289839  0.96743729  0.68394529
   0.62691918  0.12054503  1.00764950
   0.83145929  0.11568096  0.34072483
   0.62414334  0.38760038  0.11198053
   0.88317683  0.29289126  0.16055389
   0.59573905  0.17279966  0.49084698
   0.88579429  0.08988810  0.88491227
   0.62016395  0.44000335  0.62083925
   0.77343489  0.34857103  0.79095845
   0.61148207  0.65325522 -0.00467015
   0.89021192  0.60305739  0.37785688
   0.54894978  0.89070861  0.13074472
   0.79950527  0.83648377  0.24401183
   0.64845259  0.66140802  0.46345267
   0.86497232  0.62162401  0.88780185
   0.62396132  0.91384969  0.61241014
   0.84128672  0.86114844  0.75222650
   0.08496523  0.05753138  0.16106167
   0.33282120  0.17275640  0.27000462
   0.13263369  0.34804901  0.02037176
   0.40737880  0.41410550  0.33276520
   0.52357866  0.30127230  0.18334803
   0.28966082  0.41134486  0.16509302
   0.19229174  0.14503787  0.43558827
  -0.04842642  0.18000969  0.41226278
   0.01539156 -0.00382120  0.54103931
   0.45639131  0.24569747  0.78961501
   0.07315415  0.26137575  0.56625522
   0.34134439  0.47181510  0.84149918
   0.48117620  0.46268760  0.67640243
   0.24443636  0.31845644  0.69327706
   0.24094419  0.16919296 -0.11725808
   0.00987476  0.13820290  0.95133270
   0.12883986  0.58927676  0.07748113
   0.39239447  0.68328151  0.26788380
   0.09771008  0.85428839  0.02831542
   0.30723890  0.94411002  0.34320155
   0.39810181  0.90782402  0.16195798
   0.15560144  0.79663528  0.21458009
   0.30056416  0.62660913  0.43092473
   0.04966709  0.62879720  0.39510624
   0.16666488  0.49286979  0.54569871
   0.32597233  0.70798008  0.76134893
   0.12739362  0.75250276  0.54680739
   0.38999445  0.97390793  0.79949389
   0.46577663  0.87483454  0.63396623
   0.19692680  0.91613224  0.67321607
   0.28504518  0.67822832 -0.04627125
   0.02856343  0.68336150  0.90162648
   0.61099562  0.05073254  0.11272477
   0.83870483  0.18376606  0.24026213
   0.65485048  0.28000703  0.02281849
   0.86426182  0.43816287  0.37631275
   0.03375550  0.36740075  0.18687388
   0.77181069  0.41280081  0.15332442
   0.70058633  0.17522652  0.40229349
   0.43760879  0.13894014  0.46032492
   0.64724482  0.06804531  0.56815725
   0.86199557  0.21277160  0.80931949
   0.58342946  0.32463174  0.54143082
   0.83396530  0.46507334  0.86315352
   1.01227647  0.45191080  0.70150941
   0.76165898  0.40944758  0.67563677
   0.74577519  0.04734477  0.94511843
   0.49072156  0.08808698  0.95087292
   0.56854256  0.51907961  0.06036280
   0.83370897  0.67766849  0.27784397
   0.56860892  0.80138198  0.03539523
   0.80538246  0.94643811  0.33574232
   0.89688148  0.87279217  0.15682688
   0.63870259  0.81073386  0.21319729
   0.80540178  0.65545381  0.46715573
   0.57062755  0.57756394  0.38169008
   0.60772812  0.59352563  0.56647700
   0.79577490  0.71177679  0.80001156
   0.59272443  0.81966434  0.45119316
   0.92239940  0.96306775  0.82250072
   0.94314416  0.81695785  0.66585872
   0.69974378  0.92488776  0.71673897
   0.77022204  0.65799786  0.98466623
   0.54213929  0.61607661  0.89573758
   0.73368945  0.82376845  0.57691007
   0.54611587  0.84032562  0.39314916
   0.91325490  0.21280194  0.07034053
   0.92065912  0.35480830  0.37443574
   0.35115760  0.11025607  0.64860343
   0.24863381  0.75702143  0.77399042
   0.15127552  1.08048281  0.20511891
   0.23638450  1.11071842  0.06233065
   0.63211501  0.33494522  0.81920149
   0.93716180  0.46273563  0.65064456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.994141    0.001899   -0.103212
    -0.000000    9.677185   -0.013293
    -0.000000    0.000000   13.988207
   Si   O    H 
    32    64    10
Direct configuration=  2476
   0.15450341  0.18782058 -0.01136188
   0.33276917  0.09777717  0.37687417
   0.14368405  0.43633714  0.11559807
   0.38866593  0.32629032  0.23489953
   0.06157665  0.13227306  0.49218973
   0.39463130  0.11940855  0.85638164
   0.12453886  0.38781270  0.63202617
   0.37660813  0.37813572  0.74827675
   0.13219730  0.69803441 -0.01257622
   0.40654278  0.56984249  0.35858475
   0.06099440  0.88932515  0.13966477
   0.31245292  0.83705303  0.24870422
   0.15287788  0.61926881  0.48237614
   0.38537533  0.63235351  0.86101915
   0.07133271  0.87930255  0.61300113
   0.35327009  0.96668398  0.68419239
   0.62770522  0.11933481  1.00626833
   0.83189879  0.11646331  0.34109724
   0.62441870  0.38661028  0.11232237
   0.88157097  0.29210558  0.16094707
   0.59555282  0.17324628  0.49035848
   0.88616840  0.09051720  0.88518633
   0.62037889  0.43895328  0.62051180
   0.77300957  0.34869706  0.79077237
   0.61058132  0.65428046 -0.00571718
   0.89110556  0.60302396  0.37839155
   0.54742733  0.89043562  0.13006318
   0.79975966  0.83625937  0.24389588
   0.64911471  0.66093511  0.46321287
   0.86613962  0.62384439  0.88884400
   0.62410409  0.91416942  0.61177239
   0.84076300  0.86035814  0.75093723
   0.08468249  0.05628744  0.16088058
   0.33417391  0.17304412  0.27127249
   0.13207716  0.34805574  0.02152620
   0.40784608  0.41479704  0.33349290
   0.52532108  0.30184170  0.18346142
   0.29054106  0.41155113  0.16586146
   0.19308193  0.14382346  0.43488654
  -0.04872949  0.18118021  0.41176060
   0.01517633 -0.00409245  0.54096039
   0.45694477  0.24424225  0.78987091
   0.07305880  0.25877603  0.56788410
   0.34124378  0.47168176  0.84083762
   0.47850589  0.46244893  0.67624673
   0.24518346  0.31745166  0.69482257
   0.23971309  0.16865042 -0.11729156
   0.01064356  0.13693984  0.95195881
   0.12904316  0.58895566  0.07731818
   0.39265054  0.68352888  0.26863075
   0.09706229  0.85186712  0.02892092
   0.30756124  0.94286851  0.34299971
   0.39734244  0.90724644  0.16288527
   0.15597064  0.79510484  0.21492533
   0.30182218  0.62653580  0.43149016
   0.04918519  0.62831482  0.39505039
   0.16622868  0.49260627  0.54616823
   0.32505820  0.70552310  0.76163347
   0.12599008  0.75060142  0.54624163
   0.38748133  0.97422011  0.79914992
   0.46514005  0.87514145  0.63323711
   0.19667859  0.91671355  0.67273809
   0.28541082  0.67875477 -0.04677226
   0.02798469  0.68394999  0.90061886
   0.61007722  0.04987493  0.11355083
   0.83778842  0.18348195  0.24017918
   0.65419914  0.28055683  0.02229894
   0.86419463  0.43798982  0.37606169
   0.03345389  0.36749720  0.18739823
   0.77063682  0.41441042  0.15220617
   0.70092197  0.17451691  0.40248279
   0.43652216  0.13791178  0.46124841
   0.64831429  0.06817030  0.56779205
   0.86446250  0.21258919  0.80949114
   0.58400055  0.32460525  0.54223938
   0.83377506  0.46252809  0.86232141
   1.01420423  0.45278744  0.70088974
   0.76108787  0.41008973  0.67501493
   0.74526898  0.04730050  0.94629204
   0.48930864  0.08821574  0.95085019
   0.56951411  0.51912518  0.06121348
   0.83466545  0.67806387  0.27770392
   0.56788223  0.80094548  0.03486023
   0.80557262  0.94602330  0.33516374
   0.89710474  0.87057829  0.15573110
   0.63811736  0.81253841  0.21276760
   0.80604794  0.65615986  0.46761288
   0.56974542  0.57961196  0.38242252
   0.60802453  0.59123546  0.56894095
   0.79354180  0.71412884  0.80038803
   0.59110971  0.81872513  0.45284706
   0.92149924  0.96430718  0.82209207
   0.94250100  0.81728774  0.66594279
   0.69920181  0.92335524  0.71694822
   0.77098160  0.66096809  0.98485691
   0.54063377  0.61742575  0.89601239
   0.73415687  0.82218292  0.57837741
   0.54395089  0.84702298  0.39245373
   0.90826559  0.21210998  0.07186024
   0.92872472  0.35518793  0.37752423
   0.35527667  0.11125942  0.64234787
   0.25223251  0.75796399  0.76991663
   0.15277717  1.07888485  0.20636286
   0.23536941  1.11676501  0.05713006
   0.63755709  0.34016631  0.82003243
   0.93553539  0.46917638  0.65163597
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.995956    0.001849   -0.102653
    -0.000000    9.677766   -0.014950
    -0.000000    0.000000   13.987708
   Si   O    H 
    32    64    10
Direct configuration=  2477
   0.15588280  0.18796097 -0.01071227
   0.33172185  0.09642921  0.37761632
   0.14405080  0.43713728  0.11612632
   0.38973971  0.32608879  0.23545260
   0.06159920  0.13084733  0.49246307
   0.39441578  0.11923135  0.85583134
   0.12368343  0.38810643  0.63251334
   0.37731680  0.37710977  0.74796923
   0.13207818  0.69851737 -0.01241650
   0.40598997  0.57192265  0.35812699
   0.06021122  0.88830796  0.13929461
   0.31374717  0.83854266  0.24938929
   0.15130354  0.61936607  0.48198226
   0.38453672  0.63247146  0.86156437
   0.06903050  0.87889634  0.61244444
   0.35363720  0.96663780  0.68478814
   0.62807790  0.11824180  1.00524210
   0.83170008  0.11679269  0.34215882
   0.62438237  0.38551916  0.11239599
   0.88018578  0.29200965  0.16095059
   0.59502059  0.17380260  0.48984947
   0.88610192  0.09111693  0.88575186
   0.62006174  0.43833864  0.61978231
   0.77297248  0.34902507  0.79045564
   0.60949133  0.65546604 -0.00672811
   0.89154523  0.60310357  0.37843972
   0.54615820  0.89044398  0.12968624
   0.79964791  0.83588940  0.24375209
   0.64956175  0.66062312  0.46344548
   0.86741111  0.62611599  0.88990028
   0.62421655  0.91480679  0.61125773
   0.83972268  0.85949977  0.74992755
   0.08450901  0.05464573  0.16100782
   0.33490549  0.17406649  0.27219275
   0.13148497  0.34770969  0.02144528
   0.40716533  0.41496388  0.33416243
   0.52752217  0.30192437  0.18432517
   0.29070153  0.41146837  0.16603965
   0.19515254  0.14250181  0.43404981
  -0.04855375  0.18143208  0.41162909
   0.01382450 -0.00398671  0.54115833
   0.45688934  0.24281068  0.79018807
   0.07203859  0.25603586  0.56922788
   0.34144188  0.47185772  0.84008245
   0.47565466  0.46244118  0.67654521
   0.24555729  0.31618841  0.69640598
   0.23745392  0.16812021 -0.11655367
   0.01122845  0.13517888  0.95274967
   0.12874789  0.58841904  0.07725668
   0.39239156  0.68427166  0.26991927
   0.09517857  0.85015339  0.02930450
   0.30786306  0.94164857  0.34247140
   0.39598841  0.90751968  0.16362711
   0.15637148  0.79405430  0.21553841
   0.30319552  0.62633319  0.43183371
   0.04761994  0.62725763  0.39504175
   0.16576950  0.49221412  0.54701926
   0.32523452  0.70265744  0.76204168
   0.12439179  0.74924451  0.54546424
   0.38459884  0.97444516  0.79884684
   0.46470058  0.87453783  0.63194963
   0.19710984  0.91809470  0.67212295
   0.28579833  0.67912868 -0.04681932
   0.02751951  0.68366420  0.89911018
   0.60883337  0.04838129  0.11443306
   0.83723479  0.18338153  0.23988491
   0.65407039  0.28029864  0.02161809
   0.86327729  0.43755544  0.37556456
   0.03346091  0.36788085  0.18788556
   0.76955956  0.41593560  0.15156904
   0.69985359  0.17439440  0.40240430
   0.43668890  0.13687245  0.46224751
   0.65074560  0.06820505  0.56708912
   0.86657294  0.21247412  0.80910577
   0.58454463  0.32375891  0.54304010
   0.83330517  0.46101786  0.86171237
   1.01546125  0.45313750  0.70056683
   0.76040434  0.41068897  0.67491321
   0.74555526  0.04714692  0.94740810
   0.48815643  0.08904959  0.95095519
   0.57096962  0.52009960  0.06169300
   0.83499876  0.67792946  0.27757265
   0.56703062  0.80073658  0.03444874
   0.80647386  0.94581321  0.33474979
   0.89753751  0.86852559  0.15446321
   0.63815599  0.81471315  0.21300153
   0.80732400  0.65758807  0.46802872
   0.56819304  0.58122648  0.38305407
   0.60795505  0.58903475  0.57131542
   0.79188233  0.71643990  0.80071083
   0.58992867  0.81881762  0.45423309
   0.92131321  0.96466701  0.82139840
   0.94156897  0.81727763  0.66614855
   0.69838410  0.92227401  0.71717966
   0.77209185  0.66324243  0.98505796
   0.53924112  0.61868424  0.89615830
   0.73214047  0.82289464  0.58088167
   0.54272221  0.85422896  0.39454025
   0.90079577  0.21351510  0.07551154
   0.93033396  0.35759061  0.38059279
   0.36145255  0.10821363  0.63712514
   0.23736282  0.77026198  0.76891853
   0.15884080  1.07845819  0.20910777
   0.23759057  1.11861319  0.05628450
   0.64057605  0.34071311  0.81999020
   0.93717888  0.47362061  0.65913048
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.997634    0.001484   -0.102708
    -0.000000    9.678162   -0.016278
    -0.000000    0.000000   13.987115
   Si   O    H 
    32    64    10
Direct configuration=  2478
   0.15727460  0.18756498 -0.00995182
   0.33097894  0.09559245  0.37825455
   0.14412216  0.43736834  0.11662404
   0.39051374  0.32596658  0.23598417
   0.06219619  0.13009136  0.49287035
   0.39410365  0.11943300  0.85573193
   0.12303708  0.38738610  0.63267074
   0.37820908  0.37665266  0.74755101
   0.13213723  0.69866314 -0.01212881
   0.40615759  0.57434003  0.35752123
   0.05984291  0.88800643  0.13845310
   0.31492368  0.83945369  0.25007918
   0.15034816  0.62010134  0.48163962
   0.38327374  0.63229510  0.86236095
   0.06677980  0.87800344  0.61198034
   0.35373535  0.96660994  0.68496792
   0.62839716  0.11765614  1.00413238
   0.83134885  0.11665609  0.34324746
   0.62425323  0.38454359  0.11274508
   0.87989411  0.29225651  0.16122856
   0.59447492  0.17475581  0.48924572
   0.88583991  0.09155828  0.88662175
   0.61948573  0.43789641  0.61962200
   0.77315924  0.34905987  0.78989323
   0.60850792  0.65670996 -0.00743789
   0.89159238  0.60357464  0.37806991
   0.54525794  0.89039496  0.12865576
   0.79935517  0.83586097  0.24382457
   0.64936678  0.66040000  0.46384689
   0.86831268  0.62799647  0.89103554
   0.62402279  0.91469793  0.61075742
   0.83836492  0.85893765  0.74891124
   0.08436151  0.05293587  0.16073473
   0.33616896  0.17435945  0.27292503
   0.13084487  0.34668724  0.02152075
   0.40646812  0.41485204  0.33506604
   0.52895153  0.30238526  0.18515561
   0.29116034  0.41213036  0.16606469
   0.19803484  0.14043605  0.43270616
  -0.04859655  0.18124988  0.41167877
   0.01228957 -0.00355391  0.54104968
   0.45741102  0.24117621  0.79042010
   0.07137472  0.25344654  0.57029169
   0.34193328  0.47212968  0.84001688
   0.47354959  0.46290605  0.67749041
   0.24572933  0.31483826  0.69759395
   0.23471444  0.16717895 -0.11633442
   0.01106778  0.13363588  0.95378751
   0.12753592  0.58837073  0.07746529
   0.39186982  0.68571272  0.27129864
   0.09293993  0.84907740  0.02920786
   0.30929683  0.94072207  0.34170535
   0.39424618  0.90856674  0.16365166
   0.15775161  0.79333169  0.21554317
   0.30335245  0.62644375  0.43201419
   0.04652688  0.62617449  0.39460873
   0.16595116  0.49200546  0.54850690
   0.32503485  0.70077401  0.76246286
   0.12294298  0.74860125  0.54505900
   0.38312785  0.97391505  0.79807210
   0.46490924  0.87458510  0.63093348
   0.19824164  0.91988656  0.67211339
   0.28703461  0.67981507 -0.04710411
   0.02666185  0.68279208  0.89803317
   0.60722648  0.04741445  0.11465243
   0.83653150  0.18317078  0.23966031
   0.65332416  0.28043980  0.02095316
   0.86216759  0.43640661  0.37517247
   0.03386378  0.36832368  0.18810511
   0.76901434  0.41780282  0.15142839
   0.69933151  0.17369509  0.40204589
   0.43633493  0.13583341  0.46304572
   0.65258048  0.06746185  0.56656125
   0.86802115  0.21317077  0.80886139
   0.58522785  0.32229510  0.54382357
   0.83367088  0.46007761  0.86129481
   1.01615316  0.45304086  0.69970632
   0.76030107  0.41165403  0.67563545
   0.74686479  0.04702445  0.94792122
   0.48639134  0.08978784  0.95049632
   0.57155099  0.52121607  0.06219728
   0.83570688  0.67852193  0.27739728
   0.56554905  0.80152115  0.03416174
   0.80703035  0.94618019  0.33477717
   0.89754178  0.86757154  0.15209609
   0.63834887  0.81547045  0.21303109
   0.80834729  0.65904265  0.46877502
   0.56719128  0.58179115  0.38408525
   0.60864883  0.58710316  0.57310577
   0.79036487  0.71791943  0.80154484
   0.58764552  0.81930298  0.45512602
   0.92122452  0.96356851  0.82032738
   0.94045981  0.81652074  0.66614156
   0.69783387  0.92120457  0.71756428
   0.77383375  0.66540917  0.98441274
   0.53758811  0.61980252  0.89616306
   0.72852889  0.82696818  0.58165582
   0.54063662  0.85728657  0.39901254
   0.89541335  0.21154215  0.07810964
   0.92583362  0.36643864  0.38220151
   0.36820166  0.10092878  0.63351619
   0.23621043  0.77183499  0.76811936
   0.16107178  1.07546668  0.20776664
   0.24375199  1.11644113  0.05867891
   0.63593012  0.33853435  0.82151648
   0.94062337  0.47621694  0.66736601
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.999347    0.000790   -0.103439
    -0.000000    9.678533   -0.017314
    -0.000000    0.000000   13.986502
   Si   O    H 
    32    64    10
Direct configuration=  2479
   0.15857367  0.18674785 -0.00927645
   0.33081262  0.09553912  0.37927537
   0.14417480  0.43752865  0.11725807
   0.39119204  0.32605076  0.23645869
   0.06219834  0.13012374  0.49249838
   0.39399071  0.11917800  0.85574098
   0.12254096  0.38605551  0.63309177
   0.37869980  0.37615968  0.74722280
   0.13268293  0.69917232 -0.01182853
   0.40618775  0.57658280  0.35665665
   0.05937644  0.88738973  0.13795391
   0.31597398  0.83980948  0.25068654
   0.15014986  0.62108016  0.48119046
   0.38150843  0.63158256  0.86288119
   0.06526665  0.87677991  0.61163161
   0.35401686  0.96681346  0.68482757
   0.62897527  0.11697597  1.00301382
   0.83067259  0.11635239  0.34436009
   0.62386907  0.38410705  0.11320119
   0.87994207  0.29342234  0.16130557
   0.59371355  0.17576649  0.48894881
   0.88495096  0.09153057  0.88721200
   0.61892723  0.43799552  0.61970576
   0.77373969  0.34868053  0.78960320
   0.60796986  0.65727137 -0.00779484
   0.89157716  0.60333553  0.37734286
   0.54484579  0.89040720  0.12824890
   0.79919443  0.83583606  0.24355888
   0.64895730  0.66039825  0.46466963
   0.86948091  0.62962636  0.89169135
   0.62368316  0.91441670  0.61093129
   0.83649449  0.85880728  0.74767422
   0.08426085  0.05100564  0.16052961
   0.33710802  0.17382435  0.27341254
   0.13064222  0.34557664  0.02212044
   0.40564352  0.41472810  0.33579382
   0.53109119  0.30334595  0.18618478
   0.29121552  0.41281207  0.16634970
   0.19999173  0.13826032  0.43138762
  -0.04845050  0.18104600  0.41202411
   0.00980533 -0.00387107  0.54131754
   0.45770341  0.23980320  0.79047082
   0.07000431  0.25153381  0.57132673
   0.34241703  0.47268860  0.84030455
   0.47213416  0.46328958  0.67811747
   0.24514372  0.31484979  0.69853543
   0.23257613  0.16736587 -0.11617956
   0.01091833  0.13241084  0.95454503
   0.12680217  0.58868145  0.07836958
   0.39058131  0.68660568  0.27214380
   0.09120843  0.84846060  0.02856156
   0.31020957  0.94000094  0.34110433
   0.39247629  0.90925795  0.16381184
   0.15943973  0.79308298  0.21617023
   0.30292641  0.62691262  0.43234899
   0.04569459  0.62494892  0.39421825
   0.16634783  0.49199209  0.55017523
   0.32411141  0.69993868  0.76253903
   0.12127756  0.74854115  0.54511381
   0.38224676  0.97357036  0.79755940
   0.46444961  0.87509983  0.63020481
   0.19837193  0.92164218  0.67224762
   0.28821626  0.68090309 -0.04744576
   0.02486377  0.68166146  0.89720260
   0.60594760  0.04715860  0.11493560
   0.83511022  0.18326783  0.23965805
   0.65342132  0.28056268  0.01984966
   0.86028692  0.43597942  0.37494777
   0.03336662  0.36890522  0.18805793
   0.76797990  0.41935181  0.15213285
   0.69817442  0.17274107  0.40199206
   0.43713238  0.13436072  0.46359873
   0.65448980  0.06590403  0.56592537
   0.86873029  0.21391340  0.80861918
   0.58488397  0.32047837  0.54380684
   0.83417354  0.46035339  0.86181940
   1.01627340  0.45222905  0.69951187
   0.76008008  0.41221680  0.67644324
   0.74853077  0.04645262  0.94804146
   0.48447226  0.09047353  0.95002891
   0.57305943  0.52387054  0.06265696
   0.83598717  0.67882580  0.27734593
   0.56378156  0.80171162  0.03386614
   0.80835632  0.94645404  0.33439769
   0.89699157  0.86650840  0.14937362
   0.63900329  0.81616368  0.21294009
   0.80886410  0.66082367  0.46944431
   0.56625298  0.58308937  0.38451105
   0.60964522  0.58617430  0.57370464
   0.79015141  0.71866078  0.80212685
   0.58594454  0.82031625  0.45565153
   0.92049224  0.96246207  0.81955965
   0.93954512  0.81590935  0.66632416
   0.69694153  0.92054252  0.71827242
   0.77511911  0.66677957  0.98415139
   0.53639519  0.62067105  0.89632345
   0.72515652  0.82749954  0.57834080
   0.54225176  0.85729507  0.40474071
   0.89282604  0.20742627  0.07539970
   0.93032392  0.36506846  0.38287484
   0.37525057  0.09255034  0.63282548
   0.24769395  0.76232602  0.76774913
   0.15583003  1.07252398  0.20265592
   0.24758907  1.11850443  0.06068489
   0.63055382  0.33432214  0.82495853
   0.92747754  0.48367178  0.66881537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.001174   -0.000393   -0.103594
    -0.000000    9.678901   -0.018372
    -0.000000    0.000000   13.986263
   Si   O    H 
    32    64    10
Direct configuration=  2480
   0.15938695  0.18622854 -0.00869846
   0.33121557  0.09538531  0.38048705
   0.14439059  0.43735327  0.11806631
   0.39118698  0.32643257  0.23714397
   0.06253348  0.13148111  0.49190274
   0.39313039  0.11937457  0.85615288
   0.12216608  0.38460175  0.63353083
   0.37893276  0.37618753  0.74718820
   0.13330073  0.69922319 -0.01174587
   0.40630483  0.57878144  0.35576899
   0.05951257  0.88631483  0.13779050
   0.31698204  0.83976784  0.25135200
   0.14974078  0.62157402  0.48088282
   0.38029640  0.63034611  0.86332000
   0.06422913  0.87510492  0.61106841
   0.35519607  0.96717600  0.68492047
   0.62929582  0.11640146  1.00237783
   0.82890645  0.11683084  0.34574245
   0.62424974  0.38366343  0.11346877
   0.88022971  0.29460924  0.16141518
   0.59255583  0.17691261  0.48878268
   0.88446233  0.09178251  0.88744947
   0.61820971  0.43803973  0.62004083
   0.77413272  0.34833841  0.78931562
   0.60799400  0.65696141 -0.00788456
   0.89063022  0.60281554  0.37660353
   0.54388585  0.89067351  0.12848139
   0.79832675  0.83627761  0.24323439
   0.64803608  0.66013055  0.46565927
   0.87035965  0.63121823  0.89201912
   0.62399442  0.91509505  0.61118867
   0.83516044  0.85853056  0.74659432
   0.08491117  0.04861304  0.15958253
   0.33811635  0.17315841  0.27409256
   0.13015919  0.34434753  0.02240128
   0.40619533  0.41451557  0.33642372
   0.53351184  0.30341218  0.18731368
   0.29092130  0.41311507  0.16660385
   0.20149626  0.13698110  0.42971616
  -0.04823677  0.18021515  0.41246061
   0.00782940 -0.00501471  0.54182683
   0.45788960  0.23779305  0.79044371
   0.06944345  0.24958683  0.57239625
   0.34259468  0.47257890  0.84031095
   0.47055908  0.46309709  0.67873739
   0.24338763  0.31550696  0.69893493
   0.23099332  0.16730048 -0.11633231
   0.00996157  0.13090337  0.95483285
   0.12549878  0.58882041  0.07888824
   0.38873050  0.68809986  0.27218340
   0.08969865  0.84812492  0.02786723
   0.31148658  0.93931377  0.34113386
   0.39129130  0.91003186  0.16385622
   0.16084620  0.79310430  0.21651211
   0.30113047  0.62718807  0.43319654
   0.04543697  0.62318711  0.39310171
   0.16701161  0.49216186  0.55186599
   0.32386691  0.69864215  0.76284426
   0.11982830  0.74958818  0.54556338
   0.38143349  0.97336293  0.79743717
   0.46385296  0.87604018  0.62979574
   0.19850770  0.92348295  0.67288212
   0.28911835  0.68144315 -0.04756024
   0.02338751  0.68180658  0.89701648
   0.60463924  0.04634810  0.11478682
   0.83313456  0.18401833  0.23902041
   0.65368770  0.28042827  0.01910463
   0.85944103  0.43653576  0.37476517
   0.03266880  0.36963191  0.18782959
   0.76681236  0.42046905  0.15318545
   0.69666257  0.17121082  0.40120228
   0.43865570  0.13249440  0.46447001
   0.65626430  0.06462417  0.56513452
   0.86886906  0.21545401  0.80790642
   0.58482369  0.31886981  0.54408149
   0.83506956  0.46118880  0.86311148
   1.01582504  0.45186365  0.70004561
   0.76051522  0.41187541  0.67787343
   0.74952192  0.04598656  0.94840686
   0.48212210  0.09131989  0.94937560
   0.57484469  0.52643184  0.06315249
   0.83646283  0.67919855  0.27708357
   0.56264445  0.80154798  0.03332017
   0.81056079  0.94622272  0.33382978
   0.89689400  0.86443530  0.14694339
   0.63996744  0.81709493  0.21259761
   0.80954947  0.66250738  0.46974671
   0.56588716  0.58429870  0.38463916
   0.61162065  0.58614173  0.57344785
   0.79028503  0.71939340  0.80242363
   0.58534967  0.82086367  0.45679716
   0.91951459  0.96106601  0.81880563
   0.93885805  0.81447721  0.66662357
   0.69596184  0.92035949  0.71895193
   0.77729826  0.66807724  0.98350937
   0.53502497  0.62163162  0.89576053
   0.72722356  0.82259665  0.57363109
   0.53765508  0.86393163  0.39739015
   0.88311498  0.20742420  0.07381062
   0.93281446  0.36359307  0.38262181
   0.37985957  0.08751824  0.63314635
   0.25574165  0.75111120  0.76583459
   0.15488673  1.07189891  0.20287986
   0.24765449  1.12091505  0.06104454
   0.63169620  0.32688498  0.82799606
   0.92329212  0.48629958  0.67261777
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.002997   -0.001769   -0.103702
    -0.000000    9.679553   -0.019461
    -0.000000    0.000000   13.985968
   Si   O    H 
    32    64    10
Direct configuration=  2481
   0.15979421  0.18575787 -0.00822813
   0.33184940  0.09552936  0.38156914
   0.14436175  0.43724341  0.11904350
   0.39029710  0.32630334  0.23751255
   0.06300230  0.13292389  0.49180909
   0.39224793  0.11936913  0.85685630
   0.12209085  0.38280453  0.63342517
   0.37881329  0.37642880  0.74694573
   0.13378519  0.69969928 -0.01160612
   0.40660807  0.58011139  0.35526923
   0.05952516  0.88534745  0.13784840
   0.31704497  0.83896799  0.25205908
   0.14936847  0.62244319  0.48082120
   0.37945556  0.62948479  0.86343617
   0.06336836  0.87378127  0.61070049
   0.35634368  0.96757768  0.68519896
   0.62989594  0.11613863  1.00244433
   0.82725473  0.11734929  0.34661779
   0.62452537  0.38295014  0.11358433
   0.88120719  0.29627025  0.16122476
   0.59176823  0.17863731  0.48857499
   0.88394620  0.09205181  0.88759903
   0.61749966  0.43817948  0.62014766
   0.77510435  0.34856262  0.78964340
   0.60891073  0.65636651 -0.00774176
   0.88887982  0.60211760  0.37583559
   0.54350621  0.89160161  0.12916752
   0.79723676  0.83628212  0.24231079
   0.64692176  0.65991195  0.46703911
   0.87098819  0.63237739  0.89224473
   0.62389249  0.91551038  0.61131222
   0.83404896  0.85811086  0.74593066
   0.08518874  0.04615115  0.15857510
   0.33865096  0.17282120  0.27491141
   0.13001914  0.34358862  0.02237832
   0.40640216  0.41461280  0.33668027
   0.53585474  0.30322905  0.18863056
   0.29106903  0.41316125  0.16631844
   0.20160460  0.13579508  0.42868197
  -0.04728272  0.17951534  0.41251383
   0.00594118 -0.00664221  0.54258501
   0.45786621  0.23707415  0.78990654
   0.06912354  0.24775241  0.57378136
   0.34255148  0.47166988  0.84020701
   0.46950854  0.46162762  0.67927558
   0.24161998  0.31618238  0.69927944
   0.23009544  0.16636363 -0.11580293
   0.00983071  0.12987411  0.95525082
   0.12428954  0.58977441  0.07873717
   0.38754681  0.69026396  0.27210922
   0.08914501  0.84816497  0.02745487
   0.31252848  0.93932849  0.34128459
   0.39081526  0.91094462  0.16327020
   0.16253690  0.79410575  0.21708982
   0.29915217  0.62817013  0.43374357
   0.04498179  0.62162009  0.39160623
   0.16677957  0.49191601  0.55299953
   0.32562661  0.69613836  0.76297378
   0.11821865  0.75099182  0.54582627
   0.38148049  0.97283594  0.79760976
   0.46358198  0.87697107  0.62892609
   0.19763745  0.92602632  0.67339892
   0.28992538  0.68203301 -0.04807179
   0.02285301  0.68293250  0.89697374
   0.60456980  0.04502692  0.11392224
   0.83095746  0.18515053  0.23866958
   0.65325735  0.28017943  0.01879200
   0.85897318  0.43630625  0.37471645
   0.03121645  0.37031078  0.18759291
   0.76682801  0.42157606  0.15480246
   0.69508956  0.17070950  0.40061363
   0.44054960  0.13106839  0.46538432
   0.65777626  0.06397080  0.56369742
   0.86890289  0.21679395  0.80766260
   0.58445493  0.31754087  0.54433368
   0.83653879  0.46255674  0.86442436
   1.01358744  0.45223967  0.70066479
   0.76125160  0.41144365  0.67914725
   0.75113625  0.04560120  0.94826386
   0.48020742  0.09236342  0.94881342
   0.57599153  0.52861925  0.06361105
   0.83746772  0.67970910  0.27697280
   0.56129931  0.80156524  0.03224510
   0.81314153  0.94586828  0.33295633
   0.89588514  0.86368342  0.14545837
   0.64162730  0.81795456  0.21137326
   0.81054766  0.66414726  0.46944593
   0.56561768  0.58485097  0.38460224
   0.61366296  0.58712079  0.57258346
   0.79037177  0.71989064  0.80293063
   0.58441797  0.82148246  0.45766695
   0.91817591  0.95955806  0.81816265
   0.93848607  0.81363041  0.66653749
   0.69491744  0.92038294  0.71961782
   0.77926774  0.66901415  0.98297152
   0.53392320  0.62251215  0.89545407
   0.72903087  0.81792376  0.56917145
   0.53860615  0.86363395  0.39487515
   0.87457507  0.20926080  0.07501717
   0.92964456  0.36674055  0.38186731
   0.38282561  0.09041635  0.63395105
   0.23723665  0.76372227  0.76159139
   0.16055998  1.07379219  0.20346828
   0.24613374  1.12169707  0.06120504
   0.63638524  0.32158264  0.82866989
   0.93032268  0.48784102  0.67768666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.004899   -0.003374   -0.104287
    -0.000000    9.680677   -0.020255
    -0.000000    0.000000   13.985817
   Si   O    H 
    32    64    10
Direct configuration=  2482
   0.15999836  0.18486414 -0.00832809
   0.33288936  0.09530065  0.38259214
   0.14408625  0.43689188  0.11945615
   0.38924378  0.32621355  0.23828399
   0.06334944  0.13402139  0.49165891
   0.39033011  0.11954953  0.85722166
   0.12223583  0.38139805  0.63319732
   0.37823630  0.37668249  0.74701732
   0.13397894  0.69989270 -0.01162812
   0.40702791  0.58121260  0.35461102
   0.05954986  0.88412590  0.13839431
   0.31661032  0.83743436  0.25264758
   0.14925215  0.62323558  0.48066080
   0.37799241  0.62910905  0.86334150
   0.06266186  0.87278147  0.61088514
   0.35680897  0.96806915  0.68548678
   0.62914090  0.11588393  1.00243206
   0.82638127  0.11767930  0.34737737
   0.62501530  0.38169576  0.11341879
   0.88232358  0.29792762  0.16137041
   0.59131065  0.17922355  0.48875943
   0.88390121  0.09213527  0.88803440
   0.61633361  0.43801930  0.62049049
   0.77634813  0.34907552  0.78997228
   0.60998823  0.65581921 -0.00744184
   0.88711036  0.60106700  0.37494027
   0.54381665  0.89261640  0.12966954
   0.79651259  0.83576002  0.24124475
   0.64604382  0.65988095  0.46870755
   0.87109383  0.63286288  0.89241213
   0.62356394  0.91503620  0.61107482
   0.83274690  0.85743465  0.74552968
   0.08538441  0.04425250  0.15818851
   0.33857611  0.17179039  0.27546514
   0.13022289  0.34293415  0.02240370
   0.40595107  0.41469206  0.33668415
   0.53819124  0.30311548  0.18967121
   0.29091605  0.41279577  0.16644048
   0.20168119  0.13535589  0.42814993
  -0.04729542  0.17952329  0.41237427
   0.00388616 -0.00865104  0.54353511
   0.45808485  0.23726146  0.78950550
   0.06965921  0.24616364  0.57559335
   0.34304219  0.47007134  0.84002303
   0.46959682  0.46027209  0.67951351
   0.23936031  0.31714535  0.69953658
   0.23071943  0.16567621 -0.11500211
   0.00992938  0.12903375  0.95557207
   0.12308839  0.59080315  0.07867533
   0.38676231  0.69183426  0.27175847
   0.08906769  0.84836379  0.02695925
   0.31357729  0.93919759  0.34154884
   0.39008400  0.91129690  0.16252716
   0.16334568  0.79565090  0.21759317
   0.29746826  0.62744779  0.43409620
   0.04424094  0.62049620  0.39017282
   0.16596319  0.49206319  0.55356252
   0.32615756  0.69413469  0.76280667
   0.11651757  0.75291475  0.54613034
   0.38131116  0.97174977  0.79866777
   0.46446013  0.87768279  0.62821456
   0.19676722  0.92779952  0.67309153
   0.29013669  0.68241781 -0.04822965
   0.02325634  0.68424436  0.89750776
   0.60419044  0.04426669  0.11318471
   0.82900701  0.18595510  0.23882937
   0.65260134  0.28061027  0.01862125
   0.85765922  0.43635987  0.37457581
   0.03042982  0.37096428  0.18739329
   0.76740237  0.42322295  0.15645566
   0.69315697  0.16954557  0.40032371
   0.44211375  0.13047316  0.46583150
   0.65942440  0.06403098  0.56231406
   0.86876853  0.21729501  0.80731013
   0.58423848  0.31644253  0.54525684
   0.83834140  0.46395380  0.86632231
   1.01203445  0.45298377  0.70193400
   0.76119271  0.41065556  0.68022058
   0.75165920  0.04517296  0.94832748
   0.47807059  0.09325184  0.94875377
   0.57679320  0.53129513  0.06341019
   0.83816335  0.67989033  0.27716407
   0.55946334  0.80171314  0.03138765
   0.81521602  0.94626700  0.33208617
   0.89520428  0.86287341  0.14452742
   0.64304884  0.81829298  0.21044081
   0.81237611  0.66536328  0.46936745
   0.56572594  0.58576555  0.38406242
   0.61518647  0.58813215  0.57135143
   0.79049602  0.71972223  0.80359154
   0.58334103  0.82187568  0.45766021
   0.91714299  0.95844663  0.81754648
   0.93811815  0.81241763  0.66680930
   0.69320253  0.92085811  0.71991446
   0.78176361  0.66949986  0.98249169
   0.53303893  0.62392777  0.89526790
   0.72555313  0.81275260  0.56870335
   0.54428090  0.86162658  0.39821770
   0.86588348  0.21124100  0.07500570
   0.92701783  0.36931506  0.38241780
   0.38477872  0.10213757  0.63510972
   0.23287605  0.76179587  0.76049462
   0.16136553  1.07401566  0.20036535
   0.24588689  1.12182929  0.06121006
   0.63929449  0.31596381  0.83049570
   0.93615359  0.48816075  0.68019487
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.006758   -0.004791   -0.104882
    -0.000000    9.681648   -0.020905
    -0.000000    0.000000   13.985263
   Si   O    H 
    32    64    10
Direct configuration=  2483
   0.16012671  0.18443799 -0.00927004
   0.33404683  0.09558679  0.38315600
   0.14387728  0.43585640  0.11962795
   0.38829492  0.32651549  0.23871824
   0.06373792  0.13475416  0.49123786
   0.38822344  0.11976058  0.85748018
   0.12203100  0.38015953  0.63250422
   0.37759608  0.37701545  0.74716940
   0.13471947  0.69995322 -0.01183199
   0.40764860  0.58195714  0.35385429
   0.05957254  0.88303647  0.13927844
   0.31624666  0.83601208  0.25289721
   0.14870772  0.62341773  0.48030700
   0.37653046  0.62843496  0.86326909
   0.06147509  0.87177152  0.61071883
   0.35666478  0.96915598  0.68531268
   0.62807109  0.11536961  1.00208135
   0.82567227  0.11798440  0.34842810
   0.62513384  0.38094290  0.11301309
   0.88289681  0.29900366  0.16136768
   0.59082220  0.17953502  0.48892330
   0.88415004  0.09232880  0.88839747
   0.61491270  0.43822057  0.62069888
   0.77734070  0.35006397  0.79058155
   0.61134446  0.65481068 -0.00685742
   0.88550544  0.60056877  0.37394204
   0.54433797  0.89386227  0.13021865
   0.79700841  0.83501032  0.24040034
   0.64526239  0.65947187  0.47014233
   0.87133212  0.63316952  0.89230623
   0.62347317  0.91451358  0.61054857
   0.83192262  0.85693534  0.74598177
   0.08649406  0.04317850  0.15772949
   0.33904416  0.17093623  0.27614159
   0.12945041  0.34255768  0.02279231
   0.40528919  0.41477637  0.33669022
   0.53936146  0.30221780  0.19079086
   0.29209592  0.41301257  0.16676679
   0.20201772  0.13516045  0.42840953
  -0.04745926  0.17858698  0.41143834
   0.00293138 -0.00936845  0.54381825
   0.45851751  0.23710942  0.78907892
   0.07064176  0.24497453  0.57699600
   0.34372127  0.46815857  0.84014564
   0.47048162  0.45917449  0.67921893
   0.23751328  0.31779094  0.69974115
   0.23208512  0.16528036 -0.11401961
   0.00998458  0.12866970  0.95638691
   0.12188539  0.59173384  0.07894679
   0.38643676  0.69323323  0.27116246
   0.09033567  0.84906569  0.02668171
   0.31466349  0.93913882  0.34235354
   0.38978208  0.91094144  0.16109404
   0.16402528  0.79723527  0.21782782
   0.29600494  0.62654930  0.43434144
   0.04381617  0.61935362  0.38929453
   0.16544192  0.49235478  0.55368994
   0.32643979  0.69316704  0.76288504
   0.11488011  0.75407562  0.54639337
   0.38131795  0.97093273  0.79999673
   0.46604537  0.87842166  0.62733350
   0.19599003  0.92847157  0.67215346
   0.29135243  0.68329736 -0.04790172
   0.02360243  0.68514271  0.89802776
   0.60440549  0.04291511  0.11187146
   0.82796253  0.18648594  0.23943857
   0.65175556  0.28066690  0.01849876
   0.85540690  0.43732062  0.37489886
   0.02935264  0.37262096  0.18722270
   0.76902432  0.42458551  0.15821886
   0.69116178  0.16778011  0.39975514
   0.44365077  0.12960365  0.46580710
   0.66039921  0.06327176  0.56148042
   0.86916703  0.21781654  0.80688703
   0.58389207  0.31600066  0.54613674
   0.83973682  0.46494391  0.86784921
   1.01163341  0.45333884  0.70322548
   0.76065070  0.40960479  0.68070022
   0.75290210  0.04477054  0.94896422
   0.47626513  0.09351583  0.94922072
   0.57702496  0.53370057  0.06377799
   0.83920191  0.68007336  0.27731381
   0.55707449  0.80337117  0.03056722
   0.81807917  0.94672698  0.33126527
   0.89434579  0.86201617  0.14451537
   0.64361210  0.81807438  0.20973315
   0.81392694  0.66695183  0.46915216
   0.56589676  0.58731319  0.38369036
   0.61714158  0.58989051  0.57030281
   0.79159565  0.71864795  0.80392636
   0.58264803  0.82207617  0.45759199
   0.91658585  0.95776810  0.81693749
   0.93754738  0.81094618  0.66740007
   0.69008377  0.92242628  0.72015664
   0.78471490  0.66964169  0.98218547
   0.53203565  0.62529108  0.89517609
   0.71848021  0.81290427  0.57106972
   0.55075172  0.85510355  0.40200807
   0.86174494  0.21573068  0.07378567
   0.92223625  0.36555655  0.38164982
   0.38189648  0.10932642  0.63522016
   0.24331160  0.74886860  0.76120085
   0.15929307  1.07410178  0.19879199
   0.24768771  1.12247406  0.05933282
   0.64203757  0.31684910  0.83214383
   0.92277122  0.49271161  0.67338825
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.008465   -0.005624   -0.105962
    -0.000000    9.682415   -0.021658
    -0.000000    0.000000   13.984397
   Si   O    H 
    32    64    10
Direct configuration=  2484
   0.15951147  0.18377139 -0.01068812
   0.33511060  0.09504307  0.38342716
   0.14393457  0.43552327  0.11985629
   0.38760477  0.32612011  0.23878949
   0.06435239  0.13468212  0.49107863
   0.38637871  0.12054028  0.85737054
   0.12186014  0.37929946  0.63174039
   0.37661268  0.37697014  0.74740593
   0.13546356  0.70024521 -0.01202578
   0.40748058  0.58302633  0.35302369
   0.05988293  0.88231800  0.14061067
   0.31583725  0.83485541  0.25280045
   0.14912503  0.62410673  0.48010169
   0.37487311  0.62792101  0.86307125
   0.06101132  0.87127861  0.61098314
   0.35689937  0.97009158  0.68475630
   0.62645666  0.11478133  1.00184503
   0.82503713  0.11860122  0.34920005
   0.62545073  0.38037499  0.11287100
   0.88331305  0.29962273  0.16127081
   0.59062602  0.17901976  0.48903035
   0.88405670  0.09192367  0.88853729
   0.61373306  0.43875014  0.62090565
   0.77861721  0.35082351  0.79134343
   0.61270511  0.65371981 -0.00612250
   0.88386060  0.60016517  0.37311792
   0.54547278  0.89473013  0.13071735
   0.79796652  0.83393092  0.24010497
   0.64529261  0.65926623  0.47182943
   0.87139038  0.63271025  0.89183175
   0.62341290  0.91423364  0.60980173
   0.83116208  0.85614268  0.74708098
   0.08802270  0.04303557  0.15779983
   0.34009086  0.17102018  0.27736096
   0.12900668  0.34127472  0.02337020
   0.40355430  0.41577437  0.33638645
   0.53983190  0.30097547  0.19156249
   0.29206743  0.41331710  0.16653062
   0.20063814  0.13486467  0.42918828
  -0.04696851  0.17755527  0.41057927
   0.00240699 -0.00971006  0.54353273
   0.45843391  0.23708468  0.78875810
   0.07166374  0.24356378  0.57793405
   0.34394352  0.46586448  0.84047466
   0.47220269  0.45738698  0.67855802
   0.23538417  0.31826690  0.69989003
   0.23350228  0.16494075 -0.11326852
   0.00939289  0.12742278  0.95683563
   0.11996018  0.59255696  0.07910318
   0.38628274  0.69467595  0.27047497
   0.09153840  0.84888907  0.02619087
   0.31541943  0.93862621  0.34299126
   0.38867276  0.91058883  0.16008699
   0.16458829  0.79886287  0.21766582
   0.29556458  0.62575893  0.43437885
   0.04414169  0.61840227  0.38889702
   0.16552083  0.49284386  0.55383949
   0.32786628  0.69251643  0.76298936
   0.11416398  0.75414150  0.54643596
   0.38142603  0.96975756  0.80113958
   0.46830444  0.87913779  0.62610358
   0.19554122  0.92882179  0.67148801
   0.29228972  0.68384556 -0.04702300
   0.02353503  0.68549573  0.89914020
   0.60562751  0.04192751  0.10998663
   0.82671159  0.18534933  0.23988561
   0.65079377  0.28014381  0.01851211
   0.85260028  0.43837331  0.37542341
   0.02838323  0.37320878  0.18719404
   0.77134140  0.42583279  0.15972532
   0.68862111  0.16640814  0.39891467
   0.44516036  0.12839858  0.46462512
   0.66120933  0.06267124  0.56130894
   0.86918737  0.21813571  0.80645539
   0.58409507  0.31586421  0.54711696
   0.84159079  0.46563757  0.86929884
   1.01073378  0.45368129  0.70367805
   0.75983900  0.40884071  0.68085351
   0.75409454  0.04410815  0.94921419
   0.47513593  0.09268034  0.94952887
   0.57737682  0.53529634  0.06492315
   0.83961210  0.68089789  0.27748138
   0.55504217  0.80502173  0.03035471
   0.82054011  0.94766131  0.33030272
   0.89353242  0.86139709  0.14500073
   0.64409839  0.81806384  0.20915131
   0.81436812  0.66912238  0.46924171
   0.56595923  0.58885467  0.38311063
   0.61863535  0.59214884  0.56964670
   0.79285460  0.71832278  0.80373032
   0.58281455  0.82241721  0.45836176
   0.91573196  0.95669204  0.81672444
   0.93684261  0.81042148  0.66738306
   0.68741912  0.92370513  0.72068948
   0.78705441  0.67003822  0.98225262
   0.53084028  0.62662094  0.89494127
   0.71026449  0.81248806  0.57375160
   0.54914117  0.85597088  0.39608923
   0.86237344  0.22144082  0.07392341
   0.91574331  0.36173338  0.38013589
   0.37130645  0.11320327  0.63767449
   0.25599983  0.73499079  0.76102367
   0.15611752  1.07351858  0.19528506
   0.25158630  1.12219528  0.05734076
   0.64781521  0.31861857  0.82949539
   0.92100373  0.49013340  0.66961410
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.010041   -0.006472   -0.107005
    -0.000000    9.683813   -0.022094
    -0.000000    0.000000   13.983928
   Si   O    H 
    32    64    10
Direct configuration=  2485
   0.15887960  0.18306665 -0.01230450
   0.33633606  0.09419717  0.38371573
   0.14340425  0.43523159  0.11981309
   0.38626385  0.32552354  0.23883783
   0.06462260  0.13411570  0.49089710
   0.38448494  0.12068131  0.85716254
   0.12147900  0.37878830  0.63110771
   0.37502621  0.37645649  0.74741425
   0.13648340  0.70013883 -0.01213266
   0.40752063  0.58456264  0.35230416
   0.06027698  0.88153705  0.14178847
   0.31564217  0.83384493  0.25250428
   0.14955636  0.62404416  0.47989789
   0.37353329  0.62735827  0.86245410
   0.06080182  0.87081123  0.61218243
   0.35676021  0.97111503  0.68403534
   0.62475473  0.11422351  1.00138311
   0.82430778  0.11848117  0.34947022
   0.62604279  0.38032303  0.11246179
   0.88318750  0.30091428  0.16163529
   0.59033901  0.17852321  0.48937829
   0.88391740  0.09174092  0.88834738
   0.61283669  0.43948519  0.62125507
   0.78001187  0.35178993  0.79220657
   0.61432217  0.65236474 -0.00555812
   0.88294935  0.60003180  0.37203595
   0.54702422  0.89570181  0.13087555
   0.79920570  0.83271507  0.23924998
   0.64580210  0.65937195  0.47328328
   0.87158973  0.63223009  0.89124688
   0.62333517  0.91448173  0.60902192
   0.83044063  0.85537797  0.74823813
   0.08786920  0.04358919  0.15818383
   0.34033673  0.17110358  0.27862702
   0.12939525  0.34057925  0.02364151
   0.40160082  0.41596737  0.33649830
   0.53928134  0.30061957  0.19222280
   0.29198350  0.41454973  0.16592388
   0.19927903  0.13503692  0.43028500
  -0.04730801  0.17743469  0.41035548
   0.00212693 -0.00871359  0.54291364
   0.45771104  0.23707028  0.78862334
   0.07271246  0.24178464  0.57842948
   0.34441260  0.46345233  0.84055726
   0.47357933  0.45581307  0.67831795
   0.23386952  0.31916484  0.70036382
   0.23545439  0.16478995 -0.11313625
   0.00872862  0.12670870  0.95697776
   0.11935886  0.59350733  0.07961446
   0.38663313  0.69575044  0.27021558
   0.09303035  0.84912024  0.02593164
   0.31671979  0.93944367  0.34335181
   0.38673869  0.90984363  0.15964669
   0.16368143  0.80021738  0.21774663
   0.29517068  0.62527901  0.43457407
   0.04469919  0.61677550  0.38878696
   0.16533313  0.49220699  0.55408165
   0.33119847  0.69074354  0.76383812
   0.11390714  0.75370324  0.54566852
   0.38151652  0.96841997  0.80163419
   0.46982243  0.87926812  0.62452395
   0.19506278  0.92901087  0.67123793
   0.29203353  0.68411787 -0.04610010
   0.02412872  0.68492325  0.89955341
   0.60646081  0.04258653  0.10848726
   0.82580900  0.18359038  0.24030373
   0.65003718  0.28065044  0.01836659
   0.85001867  0.43962461  0.37603607
   0.02747758  0.37400313  0.18734038
   0.77341134  0.42720354  0.16081140
   0.68633487  0.16590460  0.39791037
   0.44549951  0.12709697  0.46347341
   0.66201961  0.06215841  0.56159971
   0.86965224  0.21827447  0.80632529
   0.58399257  0.31683584  0.54767876
   0.84388506  0.46706432  0.87034153
   1.00902406  0.45417233  0.70382905
   0.75834331  0.40879577  0.68108306
   0.75461712  0.04336382  0.94900843
   0.47483105  0.09178334  0.94968133
   0.57784398  0.53642384  0.06642185
   0.83997046  0.68152530  0.27762631
   0.55348604  0.80601541  0.03031896
   0.82274183  0.94902646  0.32982576
   0.89271399  0.86055998  0.14538287
   0.64498263  0.81804742  0.20878244
   0.81356754  0.67064148  0.46877127
   0.56565118  0.58945938  0.38305795
   0.61971258  0.59377254  0.56899262
   0.79421842  0.71751915  0.80369694
   0.58314403  0.82362803  0.45861297
   0.91506127  0.95740783  0.81647024
   0.93626766  0.81039197  0.66721311
   0.68464884  0.92497988  0.72120737
   0.78859014  0.67052029  0.98257625
   0.52994103  0.62875698  0.89483010
   0.70816920  0.80697854  0.57702043
   0.54672835  0.85938581  0.38925203
   0.86918145  0.22657880  0.07290857
   0.91075274  0.36042399  0.37808064
   0.36111165  0.11573873  0.64191298
   0.23452808  0.74714215  0.75836543
   0.16343058  1.07783799  0.19972923
   0.25443287  1.12269681  0.05822599
   0.65038934  0.31758384  0.82791924
   0.93086875  0.48303535  0.66893088
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.011310   -0.007445   -0.108118
    -0.000000    9.685200   -0.022294
    -0.000000    0.000000   13.983398
   Si   O    H 
    32    64    10
Direct configuration=  2486
   0.15802797  0.18249465 -0.01379743
   0.33752607  0.09283676  0.38367013
   0.14353906  0.43413887  0.11949806
   0.38515342  0.32506894  0.23910187
   0.06474377  0.13318169  0.49049297
   0.38332595  0.12032172  0.85625582
   0.12078848  0.37889934  0.63052611
   0.37347546  0.37560945  0.74753291
   0.13762049  0.69938254 -0.01228302
   0.40797807  0.58597668  0.35156476
   0.06064955  0.88051576  0.14257985
   0.31438121  0.83408703  0.25218246
   0.14948105  0.62414479  0.47956313
   0.37185507  0.62674509  0.86205589
   0.06070331  0.87106696  0.61276824
   0.35724446  0.97264988  0.68328553
   0.62343647  0.11408681  1.00128676
   0.82338648  0.11870584  0.34954513
   0.62655080  0.38118577  0.11177887
   0.88262359  0.30222337  0.16233802
   0.59016391  0.17772133  0.48928453
   0.88388398  0.09140480  0.88811837
   0.61198984  0.44038948  0.62141940
   0.78094326  0.35265927  0.79316482
   0.61641328  0.65186346 -0.00496173
   0.88165253  0.60020713  0.37192901
   0.54856875  0.89668829  0.13127436
   0.80050936  0.83214347  0.23884007
   0.64615534  0.66044388  0.47448003
   0.87180519  0.63125349  0.89032030
   0.62360416  0.91443186  0.60822866
   0.83035076  0.85456121  0.74982846
   0.08822309  0.04397882  0.15853866
   0.34144933  0.17173357  0.27901908
   0.12958466  0.34125986  0.02393968
   0.39919346  0.41591714  0.33673000
   0.53851666  0.29995462  0.19299091
   0.29214282  0.41513442  0.16565067
   0.19774888  0.13455632  0.43194705
  -0.04759382  0.17702306  0.41032219
   0.00169258 -0.00763297  0.54189276
   0.45682183  0.23635815  0.78819758
   0.07297485  0.24004848  0.57924272
   0.34550901  0.46161489  0.84127359
   0.47497770  0.45368091  0.67823994
   0.23267872  0.31963438  0.70074525
   0.23782097  0.16414236 -0.11289922
   0.00819077  0.12555358  0.95665494
   0.11893213  0.59400400  0.08025416
   0.38671944  0.69590830  0.26917150
   0.09363984  0.84878230  0.02609401
   0.31820736  0.93973586  0.34383225
   0.38596566  0.90905543  0.15907958
   0.16232735  0.80207854  0.21741322
   0.29562747  0.62503922  0.43466436
   0.04476071  0.61563551  0.38864088
   0.16417283  0.49155521  0.55386812
   0.33235730  0.69005079  0.76395939
   0.11419519  0.75356066  0.54469672
   0.38183460  0.96744913  0.80198758
   0.46989204  0.87942949  0.62276860
   0.19406349  0.92980070  0.67083697
   0.29143671  0.68419280 -0.04527618
   0.02505179  0.68411009  0.90020318
   0.60719925  0.04321574  0.10669707
   0.82529508  0.18266583  0.24079430
   0.64906233  0.28164600  0.01874948
   0.84760666  0.44105237  0.37593973
   0.02636973  0.37482592  0.18746423
   0.77522908  0.42714470  0.16150072
   0.68506430  0.16595011  0.39706639
   0.44632758  0.12561706  0.46216137
   0.66300079  0.06167792  0.56150813
   0.87029985  0.21665934  0.80653650
   0.58469927  0.31806701  0.54792485
   0.84571184  0.46875334  0.87168309
   1.00794588  0.45473154  0.70393039
   0.75680451  0.40919728  0.68135441
   0.75465340  0.04251343  0.94915041
   0.47456820  0.09115202  0.94990549
   0.57908435  0.53656910  0.06820359
   0.84021529  0.68184012  0.27771252
   0.55249620  0.80710207  0.02998856
   0.82386643  0.95019271  0.32954701
   0.89278842  0.86039771  0.14555857
   0.64538759  0.81731664  0.20871935
   0.81326565  0.67161027  0.46880917
   0.56596844  0.58972536  0.38312029
   0.61991356  0.59405899  0.56922385
   0.79670489  0.71557110  0.80360445
   0.58328084  0.82444060  0.45794541
   0.91490467  0.95831738  0.81620250
   0.93601014  0.81025985  0.66677647
   0.68263292  0.92632880  0.72172892
   0.78938877  0.67067470  0.98307456
   0.52994435  0.63025478  0.89446773
   0.71038168  0.80373298  0.57847602
   0.54902342  0.85831515  0.39197628
   0.87758693  0.23567258  0.06986468
   0.90817386  0.36068266  0.37389973
   0.35163321  0.11525468  0.64593497
   0.23148746  0.75402984  0.75759301
   0.16538034  1.07848176  0.19823386
   0.25505487  1.12015328  0.05775370
   0.65094645  0.31763067  0.82556519
   0.93671210  0.47840521  0.66571018
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.012316   -0.008140   -0.108716
    -0.000000    9.686317   -0.022536
    -0.000000    0.000000   13.983106
   Si   O    H 
    32    64    10
Direct configuration=  2487
   0.15737210  0.18246161 -0.01471746
   0.33814164  0.09186352  0.38333509
   0.14433922  0.43323554  0.11948680
   0.38444291  0.32443696  0.23960140
   0.06487044  0.13242086  0.48988799
   0.38208987  0.11982485  0.85514439
   0.11988030  0.37909718  0.62983430
   0.37197821  0.37447492  0.74774023
   0.13806526  0.69871557 -0.01259090
   0.40885764  0.58735026  0.35072231
   0.06091705  0.87983393  0.14322216
   0.31296914  0.83470933  0.25194822
   0.14912970  0.62361968  0.47986556
   0.37072563  0.62542533  0.86195827
   0.06145482  0.87147711  0.61360817
   0.35826939  0.97401160  0.68231466
   0.62207673  0.11366520  1.00133287
   0.82283710  0.11821766  0.34926446
   0.62686472  0.38247975  0.11076930
   0.88220807  0.30302165  0.16296270
   0.59034576  0.17726859  0.48906840
   0.88397142  0.09104003  0.88789094
   0.61193704  0.44134108  0.62181257
   0.78227453  0.35399223  0.79402745
   0.61855913  0.65147472 -0.00480214
   0.88117839  0.60055384  0.37146608
   0.55030534  0.89690676  0.13178683
   0.80173691  0.83223029  0.23855441
   0.64633616  0.66217284  0.47502497
   0.87213886  0.63082135  0.88949388
   0.62417552  0.91387350  0.60781293
   0.83031806  0.85412060  0.75098183
   0.08848700  0.04384467  0.15925850
   0.34193760  0.17277778  0.27961042
   0.12976042  0.34176283  0.02408857
   0.39577217  0.41617605  0.33674269
   0.53770407  0.29959331  0.19381905
   0.29194716  0.41602721  0.16508333
   0.19591127  0.13335222  0.43357824
  -0.04851867  0.17687641  0.41005855
   0.00124725 -0.00630260  0.54051186
   0.45619494  0.23620888  0.78794133
   0.07326090  0.23771598  0.57988863
   0.34606076  0.45963660  0.84205331
   0.47689137  0.45095337  0.67797840
   0.23230458  0.31996790  0.70124630
   0.23980808  0.16335851 -0.11283679
   0.00729543  0.12406609  0.95676197
   0.11848627  0.59458240  0.08052070
   0.38662118  0.69499460  0.26799611
   0.09460255  0.84864009  0.02635587
   0.31947158  0.93970991  0.34411796
   0.38602926  0.90864698  0.15889250
   0.16179646  0.80367323  0.21643012
   0.29751395  0.62540369  0.43473470
   0.04467246  0.61555617  0.38933851
   0.16317147  0.49134705  0.55402489
   0.33198468  0.69020050  0.76317169
   0.11492534  0.75309609  0.54347756
   0.38199676  0.96736753  0.80208329
   0.46956834  0.87939109  0.62107256
   0.19371786  0.93005495  0.67031702
   0.29041553  0.68502227 -0.04486383
   0.02611597  0.68379275  0.90043378
   0.60862929  0.04412087  0.10510119
   0.82604388  0.18216557  0.24074681
   0.64755560  0.28285803  0.01929917
   0.84506551  0.44190595  0.37533349
   0.02542045  0.37582252  0.18762165
   0.77614721  0.42662655  0.16204899
   0.68396824  0.16600817  0.39569410
   0.44712173  0.12346823  0.46100740
   0.66374127  0.06267098  0.56176921
   0.87161528  0.21529625  0.80675876
   0.58557329  0.31889146  0.54799655
   0.84696786  0.47008939  0.87285103
   1.00783987  0.45444904  0.70469490
   0.75517437  0.40930544  0.68125814
   0.75373656  0.04297216  0.94992783
   0.47452914  0.09056106  0.94986593
   0.57979417  0.53540336  0.06955402
   0.84030096  0.68284344  0.27710916
   0.55207735  0.80739380  0.02978307
   0.82533716  0.95172654  0.32905033
   0.89431120  0.85986276  0.14523407
   0.64620168  0.81715159  0.20894058
   0.81227441  0.67215929  0.46844545
   0.56683015  0.58981381  0.38310281
   0.61958307  0.59302607  0.57024225
   0.79921017  0.71413417  0.80324055
   0.58253356  0.82592719  0.45686311
   0.91497861  0.95827289  0.81614497
   0.93572768  0.80949969  0.66686738
   0.68151118  0.92796301  0.72195214
   0.78799852  0.67041516  0.98379868
   0.53046938  0.63067130  0.89392818
   0.71580881  0.80251916  0.58342309
   0.55358947  0.85917447  0.40040854
   0.88684793  0.24319650  0.06750463
   0.90554482  0.36286528  0.37186221
   0.34685439  0.11507401  0.64650464
   0.24082089  0.75496891  0.75774992
   0.16325097  1.07958099  0.19545944
   0.25409438  1.11492796  0.05533827
   0.64987157  0.31825613  0.82572154
   0.92828179  0.47815041  0.65749950
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013331   -0.008923   -0.110198
    -0.000000    9.688115   -0.023181
    -0.000000    0.000000   13.982596
   Si   O    H 
    32    64    10
Direct configuration=  2488
   0.15671236  0.18247191 -0.01553634
   0.33924549  0.09065782  0.38303653
   0.14524044  0.43291300  0.11972075
   0.38373307  0.32342218  0.24026517
   0.06429973  0.13151772  0.48997269
   0.38129130  0.11913196  0.85439075
   0.11833632  0.37950833  0.62906860
   0.36996017  0.37331006  0.74772699
   0.13821650  0.69758815 -0.01276772
   0.41026114  0.58889992  0.35024603
   0.06092341  0.88002296  0.14335618
   0.31180736  0.83500870  0.25164908
   0.14914649  0.62260173  0.47957311
   0.36940990  0.62378211  0.86181246
   0.06224266  0.87202529  0.61388505
   0.35934261  0.97494643  0.68147018
   0.62050977  0.11365647  1.00152864
   0.82265612  0.11795402  0.34872150
   0.62773526  0.38412018  0.11001766
   0.88215096  0.30394496  0.16331308
   0.59112950  0.17683680  0.48909437
   0.88450021  0.09058737  0.88785796
   0.61211879  0.44225988  0.62207492
   0.78369177  0.35525335  0.79470683
   0.62007908  0.65167927 -0.00515171
   0.88105079  0.60053552  0.37152586
   0.55161608  0.89679743  0.13227820
   0.80320069  0.83248049  0.23853249
   0.64674554  0.66404893  0.47502722
   0.87302647  0.63107806  0.88887994
   0.62535722  0.91322024  0.60734188
   0.83004426  0.85432292  0.75133235
   0.08873941  0.04351318  0.15975389
   0.34226866  0.17461384  0.28002976
   0.13002365  0.34184643  0.02411140
   0.39252795  0.41732520  0.33691771
   0.53717307  0.29881648  0.19427776
   0.29212152  0.41696265  0.16520208
   0.19430971  0.13251664  0.43443202
  -0.04922767  0.17701904  0.40988037
   0.00100553 -0.00500613  0.53940550
   0.45580555  0.23541075  0.78778915
   0.07329237  0.23519605  0.58003827
   0.34690949  0.45768402  0.84232973
   0.47866600  0.44912916  0.67747636
   0.23257024  0.32076858  0.70158898
   0.24136773  0.16320246 -0.11257251
   0.00666638  0.12312842  0.95689389
   0.11764786  0.59507408  0.08096498
   0.38640279  0.69394829  0.26718572
   0.09523201  0.84822395  0.02654006
   0.32181692  0.93876454  0.34444150
   0.38617215  0.90776655  0.15915068
   0.16127475  0.80462067  0.21546262
   0.29940320  0.62572453  0.43515252
   0.04388173  0.61546462  0.39030373
   0.16207374  0.49112032  0.55440940
   0.33080101  0.69075520  0.76162206
   0.11582250  0.75252301  0.54202562
   0.38205724  0.96740893  0.80164302
   0.46806341  0.87953081  0.61909903
   0.19411326  0.93061200  0.67011080
   0.28984594  0.68609999 -0.04441830
   0.02785877  0.68412171  0.90087069
   0.61030353  0.04521685  0.10361288
   0.82691962  0.18184057  0.24046591
   0.64662118  0.28390732  0.01961396
   0.84237117  0.44254444  0.37522023
   0.02509140  0.37710402  0.18778684
   0.77612074  0.42651850  0.16293646
   0.68287270  0.16604531  0.39456371
   0.44832492  0.12218666  0.45900620
   0.66428231  0.06429768  0.56240753
   0.87208688  0.21286090  0.80704856
   0.58449279  0.31918787  0.54801238
   0.84735208  0.47113447  0.87365158
   1.00718790  0.45486687  0.70424624
   0.75451874  0.40892802  0.68139630
   0.75270709  0.04352894  0.95098699
   0.47423306  0.08988627  0.94944906
   0.58012393  0.53516824  0.07079216
   0.84013632  0.68419568  0.27673241
   0.55174216  0.80769718  0.02984776
   0.82677007  0.95316038  0.32805143
   0.89631128  0.85871100  0.14478043
   0.64609306  0.81696659  0.20874322
   0.81208957  0.67188600  0.46777256
   0.56674806  0.58947907  0.38379340
   0.61960302  0.59160359  0.57227796
   0.80080540  0.71199880  0.80305635
   0.58114471  0.82691419  0.45630584
   0.91548589  0.95861993  0.81611306
   0.93551461  0.81000384  0.66707342
   0.68029077  0.92933422  0.72254388
   0.78550115  0.67039864  0.98459456
   0.53191728  0.63104219  0.89307997
   0.72224140  0.79905455  0.58858558
   0.54944236  0.86352394  0.39736618
   0.89226094  0.24884052  0.06434192
   0.90319610  0.36639648  0.36949318
   0.34538800  0.11471044  0.64840947
   0.26043987  0.74947282  0.76048617
   0.16177723  1.08521115  0.19353711
   0.25467945  1.11291539  0.05086815
   0.64632736  0.32133464  0.82932294
   0.92491139  0.48296443  0.65612373
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.014342   -0.009458   -0.111891
    -0.000000    9.690003   -0.023852
    -0.000000    0.000000   13.982190
   Si   O    H 
    32    64    10
Direct configuration=  2489
   0.15548834  0.18244151 -0.01670846
   0.33930154  0.08932683  0.38256348
   0.14548857  0.43275946  0.11968973
   0.38335199  0.32293186  0.24060579
   0.06368934  0.13063510  0.48981301
   0.38108093  0.11886660  0.85366996
   0.11681903  0.37910268  0.62912079
   0.36888678  0.37266890  0.74773193
   0.13816911  0.69644193 -0.01268495
   0.41145436  0.58971061  0.35060655
   0.06030890  0.88048625  0.14331259
   0.31005427  0.83568158  0.25128775
   0.14904011  0.62157496  0.47938130
   0.36877173  0.62192582  0.86221402
   0.06325905  0.87290349  0.61352772
   0.36117861  0.97552187  0.68118626
   0.61853766  0.11393002  1.00119808
   0.82172720  0.11802697  0.34777288
   0.62852299  0.38537904  0.11000133
   0.88169402  0.30493628  0.16379259
   0.59183072  0.17629470  0.48946252
   0.88469701  0.08951823  0.88793500
   0.61304610  0.44278413  0.62256399
   0.78529298  0.35608306  0.79531222
   0.62131099  0.65234387 -0.00581947
   0.88141789  0.60104743  0.37121936
   0.55232307  0.89606159  0.13273313
   0.80460819  0.83286761  0.23859482
   0.64669889  0.66616153  0.47468001
   0.87367731  0.63123468  0.88803917
   0.62653903  0.91215449  0.60678595
   0.82936374  0.85419774  0.75144146
   0.08935701  0.04376159  0.16040659
   0.34233820  0.17619784  0.28094632
   0.13010572  0.34137818  0.02374647
   0.38960010  0.41838242  0.33764203
   0.53660238  0.29934522  0.19504271
   0.29226897  0.41749806  0.16530266
   0.19423369  0.13197438  0.43495028
  -0.04995608  0.17742781  0.40948797
   0.00023043 -0.00401750  0.53889682
   0.45558297  0.23445396  0.78748707
   0.07278263  0.23235879  0.58063002
   0.34792976  0.45617562  0.84291780
   0.47965876  0.44797194  0.67717245
   0.23332467  0.32181769  0.70191993
   0.24161168  0.16346961 -0.11245720
   0.00673210  0.12283538  0.95712439
   0.11664734  0.59606432  0.08148630
   0.38601816  0.69209464  0.26597742
   0.09684782  0.84786302  0.02759740
   0.32403208  0.93730665  0.34439077
   0.38600607  0.90610512  0.15996409
   0.16064084  0.80586836  0.21500010
   0.30061801  0.62641266  0.43566720
   0.04306070  0.61501946  0.39154217
   0.16158173  0.49108394  0.55382276
   0.33042409  0.69030714  0.76015020
   0.11710916  0.75203116  0.54060792
   0.38222505  0.96744973  0.80067644
   0.46609679  0.87953075  0.61694436
   0.19420209  0.93117447  0.66975519
   0.28922642  0.68626302 -0.04454378
   0.02924543  0.68367552  0.90150784
   0.61106750  0.04593777  0.10304131
   0.82830763  0.18145500  0.24048656
   0.64601765  0.28550796  0.01951923
   0.83919270  0.44220121  0.37553293
   0.02516781  0.37871679  0.18802667
   0.77498581  0.42659924  0.16323993
   0.68244119  0.16651990  0.39335047
   0.44960878  0.12092990  0.45766200
   0.66469956  0.06616122  0.56376628
   0.87178695  0.21001498  0.80731271
   0.58334342  0.31958668  0.54734086
   0.84761531  0.47071524  0.87436114
   1.00590084  0.45487064  0.70325628
   0.75404999  0.40838763  0.68164905
   0.75137522  0.04466829  0.95211419
   0.47386845  0.08854927  0.94972763
   0.57934460  0.53419356  0.07186401
   0.83993265  0.68512363  0.27667895
   0.55259987  0.80745550  0.02967712
   0.82805409  0.95356810  0.32748858
   0.89832893  0.85723046  0.14426371
   0.64668399  0.81598414  0.20843678
   0.81172973  0.67189788  0.46728302
   0.56682695  0.58953174  0.38417371
   0.62014723  0.59036804  0.57468432
   0.80254424  0.70985666  0.80328346
   0.57984740  0.82768549  0.45563042
   0.91698742  0.96028147  0.81629291
   0.93453934  0.81148132  0.66757545
   0.67949669  0.92998852  0.72278284
   0.78267064  0.66984025  0.98481022
   0.53345025  0.63139464  0.89282192
   0.72885912  0.79878508  0.59229352
   0.54415090  0.86659320  0.39020780
   0.89740461  0.25348030  0.06285374
   0.90280320  0.36784984  0.36715691
   0.34707015  0.11427930  0.65061783
   0.26319953  0.75660982  0.76278151
   0.16171647  1.09062792  0.19352582
   0.25260721  1.11360420  0.04503130
   0.64603743  0.32652807  0.83234648
   0.93242933  0.48361920  0.65949851
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.015428   -0.009237   -0.113429
    -0.000000    9.691965   -0.024182
    -0.000000    0.000000   13.981641
   Si   O    H 
    32    64    10
Direct configuration=  2490
   0.15471266  0.18218806 -0.01748434
   0.33895718  0.08819808  0.38219811
   0.14566076  0.43284334  0.11976799
   0.38367035  0.32289354  0.24070872
   0.06318831  0.12992745  0.48957476
   0.38148937  0.11800732  0.85310612
   0.11503847  0.37889172  0.62902217
   0.36860228  0.37216003  0.74756504
   0.13781332  0.69572720 -0.01254884
   0.41210746  0.58944924  0.35147307
   0.05968398  0.88111465  0.14310384
   0.30848592  0.83661043  0.25061953
   0.14903383  0.62040579  0.47888344
   0.36899039  0.62056479  0.86311939
   0.06434624  0.87397410  0.61251001
   0.36238084  0.97623592  0.68082339
   0.61658971  0.11403992  1.00076265
   0.82126794  0.11805145  0.34653275
   0.62922277  0.38563831  0.10994363
   0.88149910  0.30552352  0.16425366
   0.59259302  0.17605944  0.49015100
   0.88424406  0.08857567  0.88823409
   0.61409525  0.44324821  0.62333281
   0.78646203  0.35639836  0.79598503
   0.62250316  0.65344526 -0.00625877
   0.88223977  0.60204824  0.37108818
   0.55359473  0.89483915  0.13313993
   0.80611494  0.83364244  0.23870657
   0.64625625  0.66876996  0.47377707
   0.87439111  0.63145001  0.88752329
   0.62699925  0.91096969  0.60597928
   0.82946136  0.85368837  0.75156217
   0.08985451  0.04422414  0.16060552
   0.34205216  0.17869699  0.28237220
   0.13022520  0.34014624  0.02306531
   0.38625701  0.41909902  0.33824160
   0.53622945  0.30057530  0.19502757
   0.29258460  0.41810182  0.16583412
   0.19503845  0.13097724  0.43552136
  -0.05058961  0.17760504  0.40908171
  -0.00000529 -0.00394203  0.53913147
   0.45489806  0.23373731  0.78756766
   0.07220736  0.22912856  0.58074116
   0.34848959  0.45526991  0.84347445
   0.48003345  0.44681482  0.67770307
   0.23432740  0.32316860  0.70221913
   0.24162332  0.16448476 -0.11250057
   0.00672541  0.12202877  0.95776049
   0.11628120  0.59760151  0.08274167
   0.38562187  0.69041232  0.26444973
   0.09815709  0.84761261  0.02904552
   0.32563768  0.93507354  0.34442395
   0.38619589  0.90421666  0.16084833
   0.16003268  0.80617529  0.21508045
   0.30188813  0.62669272  0.43591011
   0.04236859  0.61386173  0.39282895
   0.16183505  0.49067258  0.55276932
   0.32965583  0.69003988  0.75840755
   0.11788355  0.75244248  0.53999864
   0.38185452  0.96797017  0.79953264
   0.46393124  0.88044578  0.61563788
   0.19448952  0.93102990  0.66899404
   0.28880123  0.68639276 -0.04477813
   0.03070938  0.68260005  0.90215481
   0.61215667  0.04630951  0.10293184
   0.82981626  0.18189345  0.24022911
   0.64543374  0.28656068  0.01890994
   0.83619438  0.44184056  0.37583457
   0.02494326  0.37928066  0.18866434
   0.77374019  0.42668698  0.16340704
   0.68265842  0.16719959  0.39241379
   0.45136504  0.11993626  0.45661297
   0.66495845  0.06743124  0.56434450
   0.87077172  0.20773603  0.80787283
   0.58229228  0.31973043  0.54639097
   0.84736147  0.47022281  0.87480942
   1.00503423  0.45489565  0.70210152
   0.75408025  0.40802426  0.68250403
   0.74929962  0.04568760  0.95274718
   0.47389784  0.08697692  0.94992445
   0.57913685  0.53365854  0.07280485
   0.84017052  0.68578233  0.27693354
   0.55408195  0.80627969  0.02941899
   0.82861014  0.95352666  0.32662622
   0.90081818  0.85554269  0.14407294
   0.64740063  0.81517237  0.20815274
   0.81041553  0.67187096  0.46649599
   0.56733941  0.59002128  0.38440377
   0.62036281  0.58920723  0.57671892
   0.80393531  0.70802043  0.80324771
   0.57855787  0.82861189  0.45474588
   0.91821676  0.96257981  0.81652843
   0.93387279  0.81292907  0.66791517
   0.67921833  0.93049068  0.72317626
   0.78038920  0.66875164  0.98520929
   0.53487591  0.63165194  0.89289405
   0.73094599  0.79947698  0.59324537
   0.54157163  0.86225906  0.39052063
   0.89892183  0.25900417  0.06535227
   0.90608497  0.36702187  0.36526907
   0.35326206  0.11547997  0.65172730
   0.25785118  0.77416683  0.76338592
   0.16243476  1.08890290  0.19427996
   0.24705853  1.11401783  0.04105299
   0.65068546  0.33164748  0.83543474
   0.93842162  0.48584653  0.66357256
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.016594   -0.009731   -0.115040
    -0.000000    9.694339   -0.024358
    -0.000000    0.000000   13.980779
   Si   O    H 
    32    64    10
Direct configuration=  2491
   0.15371495  0.18176915 -0.01851736
   0.33774544  0.08705873  0.38209020
   0.14564550  0.43287255  0.11968303
   0.38439076  0.32289658  0.24044106
   0.06235322  0.12975525  0.48949565
   0.38245136  0.11733635  0.85306219
   0.11283409  0.37805754  0.62916511
   0.36829657  0.37126314  0.74792881
   0.13787556  0.69495537 -0.01251717
   0.41196575  0.58863906  0.35267043
   0.05989557  0.88140472  0.14259353
   0.30745061  0.83753894  0.24993993
   0.14946257  0.61975320  0.47844323
   0.36972864  0.61948854  0.86383419
   0.06585714  0.87524633  0.61123468
   0.36319466  0.97626346  0.68034383
   0.61472867  0.11431922  1.00069936
   0.82084899  0.11831335  0.34570090
   0.63027667  0.38592121  0.10979299
   0.88103650  0.30530712  0.16430949
   0.59373697  0.17565080  0.49084695
   0.88358667  0.08853626  0.88873911
   0.61495087  0.44321526  0.62352423
   0.78708912  0.35719226  0.79621007
   0.62266389  0.65462621 -0.00636335
   0.88358534  0.60301105  0.37132903
   0.55398061  0.89423083  0.13334423
   0.80739396  0.83453720  0.23888702
   0.64532186  0.67110649  0.47238560
   0.87487553  0.63149421  0.88733157
   0.62762958  0.91088261  0.60564024
   0.82943655  0.85346484  0.75187460
   0.08899152  0.04543485  0.16075864
   0.34172833  0.18111240  0.28390696
   0.13073977  0.33821086  0.02240072
   0.38311228  0.42052177  0.33826280
   0.53601564  0.30259002  0.19485079
   0.29241132  0.41823003  0.16577091
   0.19632799  0.12995138  0.43544944
  -0.05035318  0.17823740  0.40831733
   0.00019664 -0.00445628  0.53908146
   0.45395275  0.23331638  0.78762694
   0.07081427  0.22736419  0.58149396
   0.34913041  0.45482635  0.84429933
   0.47924050  0.44599938  0.67847209
   0.23533418  0.32501114  0.70204362
   0.24193058  0.16612149 -0.11301160
   0.00678327  0.12055801  0.95858650
   0.11616340  0.59775282  0.08371875
   0.38545207  0.68918965  0.26319070
   0.09899518  0.84719385  0.03072319
   0.32675264  0.93311710  0.34476770
   0.38700875  0.90213704  0.16140607
   0.15980816  0.80642513  0.21518531
   0.30307047  0.62697417  0.43627195
   0.04199727  0.61287694  0.39403718
   0.16287212  0.49010089  0.55200492
   0.32865217  0.69039915  0.75730639
   0.11838772  0.75259767  0.53985654
   0.38146070  0.96868130  0.79868217
   0.46173436  0.88058058  0.61497597
   0.19559051  0.93121354  0.66816737
   0.28889749  0.68677545 -0.04576180
   0.03163499  0.68176337  0.90277027
   0.61372818  0.04650251  0.10315063
   0.83137704  0.18244897  0.24025852
   0.64527346  0.28690014  0.01864982
   0.83430863  0.44191421  0.37552848
   0.02427871  0.37978868  0.19005009
   0.77255986  0.42665154  0.16296895
   0.68370752  0.16771828  0.39127139
   0.45358661  0.11896562  0.45543952
   0.66438656  0.06872636  0.56503368
   0.86901564  0.20597156  0.80834630
   0.58120404  0.31980783  0.54529040
   0.84755424  0.46937520  0.87483089
   1.00562322  0.45483419  0.70051896
   0.75368029  0.40768915  0.68338586
   0.74783362  0.04701857  0.95356584
   0.47464185  0.08586578  0.94959829
   0.57953712  0.53302923  0.07309842
   0.84026705  0.68452844  0.27759915
   0.55512410  0.80512741  0.02981622
   0.82909157  0.95322732  0.32583651
   0.90354930  0.85398520  0.14452925
   0.64811586  0.81457741  0.20841693
   0.80880820  0.67229445  0.46612968
   0.56801036  0.59173031  0.38471312
   0.62151791  0.58972447  0.57832471
   0.80563896  0.70649030  0.80278485
   0.57688595  0.82851437  0.45348092
   0.91924846  0.96415081  0.81652437
   0.93324582  0.81403336  0.66821040
   0.67965702  0.93161386  0.72373765
   0.77843028  0.66757745  0.98532709
   0.53625943  0.63165863  0.89307471
   0.72615090  0.80290517  0.59145545
   0.54023951  0.85690889  0.39560295
   0.89918266  0.26540115  0.06688437
   0.90412771  0.37163334  0.36348124
   0.36240454  0.12588548  0.65090309
   0.26119451  0.78419416  0.76374171
   0.16213004  1.08709343  0.19534178
   0.24109457  1.10935100  0.04030239
   0.65587439  0.33691336  0.83486667
   0.92877155  0.49452349  0.66045387
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.017175   -0.009880   -0.116605
    -0.000000    9.696625   -0.024537
    -0.000000    0.000000   13.979807
   Si   O    H 
    32    64    10
Direct configuration=  2492
   0.15216041  0.18122957 -0.01936916
   0.33590095  0.08670191  0.38202018
   0.14584574  0.43292207  0.11939454
   0.38538935  0.32351374  0.24059739
   0.06095230  0.12940263  0.48970949
   0.38390639  0.11623019  0.85302408
   0.11058809  0.37770719  0.62961102
   0.36912242  0.36988447  0.74786772
   0.13734513  0.69435114 -0.01205256
   0.41125818  0.58720247  0.35354209
   0.06013550  0.88233590  0.14147712
   0.30633027  0.83919762  0.24952050
   0.14935935  0.61860707  0.47826085
   0.37066510  0.61796444  0.86450693
   0.06687528  0.87677851  0.60950071
   0.36386188  0.97591091  0.68017511
   0.61323607  0.11419197  1.00062132
   0.82047700  0.11913969  0.34484188
   0.63092363  0.38596015  0.11002408
   0.88045034  0.30514601  0.16395650
   0.59485806  0.17490860  0.49177281
   0.88250313  0.08841422  0.88908128
   0.61631821  0.44278282  0.62367041
   0.78743295  0.35779349  0.79638528
   0.62201241  0.65601974 -0.00647831
   0.88465918  0.60349187  0.37151397
   0.55431843  0.89368583  0.13320317
   0.80919775  0.83474510  0.23883401
   0.64469216  0.67327549  0.47127115
   0.87616211  0.63137597  0.88722661
   0.62854694  0.91071149  0.60510554
   0.82947512  0.85387214  0.75204371
   0.08804473  0.04611975  0.16140255
   0.34163970  0.18299496  0.28523828
   0.13113349  0.33643052  0.02186233
   0.38123857  0.42210246  0.33786583
   0.53555684  0.30532085  0.19453969
   0.29290691  0.41795864  0.16573995
   0.19752456  0.12994849  0.43520757
  -0.05101725  0.17933494  0.40732961
   0.00075467 -0.00502721  0.53925009
   0.45349053  0.23338113  0.78798680
   0.06965195  0.22693053  0.58186785
   0.34987239  0.45488306  0.84512349
   0.47756903  0.44543076  0.67937549
   0.23557831  0.32647866  0.70159762
   0.24118893  0.16772510 -0.11366263
   0.00730642  0.11958900  0.95985089
   0.11495567  0.59724635  0.08432113
   0.38614736  0.68815811  0.26177623
   0.09986295  0.84706008  0.03195640
   0.32825294  0.93165874  0.34537783
   0.38873347  0.89975919  0.16199688
   0.16005969  0.80683598  0.21563820
   0.30305511  0.62760069  0.43641208
   0.04181656  0.61233120  0.39437951
   0.16437351  0.48976632  0.55079950
   0.32761467  0.69163113  0.75626989
   0.11808367  0.75243541  0.53981356
   0.38064821  0.97014692  0.79778823
   0.45941504  0.88071433  0.61382552
   0.19718212  0.93086284  0.66770224
   0.28904899  0.68640522 -0.04686887
   0.03139972  0.68168701  0.90305326
   0.61485038  0.04562836  0.10388564
   0.83271564  0.18340173  0.24012274
   0.64476994  0.28655780  0.01821901
   0.83302838  0.44092103  0.37513338
   0.02424428  0.37978579  0.19142008
   0.77100584  0.42695216  0.16278228
   0.68456313  0.16782184  0.39087506
   0.45546955  0.11824571  0.45450755
   0.66414553  0.06937630  0.56605192
   0.86723334  0.20523566  0.80927106
   0.58034352  0.31865902  0.54369780
   0.84870771  0.46895955  0.87479394
   1.00579512  0.45519925  0.69871843
   0.75416764  0.40701455  0.68398003
   0.74742128  0.04906775  0.95395434
   0.47427914  0.08512569  0.94873453
   0.58009319  0.53274350  0.07329437
   0.84095371  0.68323093  0.27795311
   0.55519808  0.80356254  0.03045697
   0.82874154  0.95284097  0.32469523
   0.90504066  0.85284651  0.14515539
   0.65035081  0.81444146  0.20889030
   0.80634656  0.67353983  0.46550713
   0.56950909  0.59337242  0.38491337
   0.62201423  0.59080145  0.57908983
   0.80755871  0.70508195  0.80213508
   0.57561411  0.82826440  0.45304725
   0.92028025  0.96471400  0.81687746
   0.93210967  0.81466132  0.66882826
   0.68070277  0.93205837  0.72400815
   0.77723254  0.66600057  0.98550562
   0.53671686  0.63072310  0.89315046
   0.72146587  0.80850186  0.58622487
   0.53916880  0.85405202  0.39334880
   0.89839706  0.26955380  0.06779166
   0.90286391  0.37763952  0.36221728
   0.37311355  0.12902748  0.64741290
   0.27540010  0.77943692  0.76322241
   0.16160874  1.08728347  0.19819656
   0.23673811  1.10025702  0.04267273
   0.65873161  0.34177253  0.83748363
   0.92267852  0.49676740  0.66109712
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.018035   -0.010089   -0.118395
    -0.000000    9.699329   -0.024980
    -0.000000    0.000000   13.979090
   Si   O    H 
    32    64    10
Direct configuration=  2493
   0.15065237  0.18025600 -0.02010118
   0.33349268  0.08714408  0.38189578
   0.14587352  0.43303293  0.11901080
   0.38617895  0.32438866  0.24073550
   0.05892301  0.12961953  0.48980948
   0.38466939  0.11507280  0.85334107
   0.10894343  0.37708833  0.63032370
   0.37111618  0.36853160  0.74803192
   0.13710653  0.69408902 -0.01201935
   0.41014543  0.58578175  0.35443640
   0.06099656  0.88345102  0.14082184
   0.30530101  0.84056625  0.24910865
   0.14902794  0.61755898  0.47848231
   0.37148002  0.61681438  0.86510328
   0.06755943  0.87752802  0.60814685
   0.36380313  0.97593824  0.67965363
   0.61152994  0.11485032  1.00060313
   0.81983321  0.12005928  0.34416049
   0.63116077  0.38581486  0.11020814
   0.88001770  0.30481394  0.16356368
   0.59617653  0.17423064  0.49231277
   0.88211658  0.08799426  0.88952473
   0.61740255  0.44217276  0.62359553
   0.78769958  0.35808897  0.79660507
   0.62111123  0.65733314 -0.00661388
   0.88549503  0.60414639  0.37184089
   0.55417107  0.89392383  0.13322144
   0.81028420  0.83491730  0.23881326
   0.64460180  0.67524322  0.47024952
   0.87747469  0.63139934  0.88721502
   0.62908230  0.91086539  0.60460597
   0.82945931  0.85402407  0.75220198
   0.08742448  0.04693086  0.16165422
   0.34198473  0.18428497  0.28673798
   0.13215516  0.33513775  0.02127637
   0.37937721  0.42323976  0.33709097
   0.53450282  0.30879249  0.19404545
   0.29379500  0.41672694  0.16563737
   0.19882741  0.13027773  0.43450313
  -0.05097701  0.17954083  0.40664103
   0.00159739 -0.00633186  0.53965024
   0.45230395  0.23275892  0.78822393
   0.06927352  0.22698217  0.58169745
   0.35060217  0.45521647  0.84635453
   0.47611882  0.44425421  0.68095048
   0.23590627  0.32785880  0.70049902
   0.24134079  0.16857085 -0.11441237
   0.00771462  0.11858483  0.96071911
   0.11428717  0.59648275  0.08529426
   0.38678228  0.68708279  0.26059345
   0.10109358  0.84686652  0.03284245
   0.32955939  0.93020110  0.34562517
   0.39165403  0.89768195  0.16240303
   0.16044352  0.80869226  0.21632382
   0.30316099  0.62773686  0.43628118
   0.04122001  0.61244845  0.39449785
   0.16477328  0.48903228  0.54969786
   0.32634915  0.69252982  0.75607947
   0.11819122  0.75261657  0.54009509
   0.38043050  0.97201577  0.79689592
   0.45743516  0.88118363  0.61296771
   0.19949523  0.92996165  0.66746126
   0.28824659  0.68638695 -0.04828824
   0.03167167  0.68176203  0.90355969
   0.61564954  0.04561972  0.10527477
   0.83445856  0.18443934  0.23965169
   0.64471890  0.28513919  0.01818718
   0.83286169  0.44014292  0.37477045
   0.02483358  0.37931551  0.19305476
   0.76914502  0.42809082  0.16296738
   0.68468849  0.16829921  0.39073947
   0.45686489  0.11777993  0.45337771
   0.66313829  0.06962929  0.56733944
   0.86534663  0.20566004  0.80916957
   0.58023308  0.31816454  0.54234626
   0.85000840  0.46841030  0.87454190
   1.00602405  0.45693102  0.69703694
   0.75555038  0.40584306  0.68471728
   0.74705434  0.05108497  0.95390446
   0.47445352  0.08445307  0.94771067
   0.58000962  0.53302225  0.07357719
   0.84204151  0.68108879  0.27845793
   0.55500318  0.80230407  0.03130436
   0.82879612  0.95187721  0.32377905
   0.90555589  0.85160836  0.14605445
   0.65208568  0.81446265  0.20947950
   0.80376811  0.67455415  0.46500812
   0.57105114  0.59364808  0.38491662
   0.62240495  0.59236664  0.57928177
   0.80856617  0.70402724  0.80139469
   0.57516307  0.82849106  0.45427969
   0.92087909  0.96421822  0.81750473
   0.93198619  0.81599339  0.66898740
   0.68160880  0.93270651  0.72410476
   0.77714361  0.66404647  0.98575147
   0.53682666  0.62925976  0.89395963
   0.71681627  0.80952720  0.58223613
   0.53510846  0.85026832  0.38783852
   0.90010155  0.27071693  0.06671948
   0.90456345  0.38134274  0.36277853
   0.38474879  0.13006898  0.64371738
   0.29028779  0.77118585  0.76313397
   0.15817862  1.08687562  0.19918366
   0.23375756  1.08997692  0.04736370
   0.65974904  0.34454601  0.84014196
   0.92694352  0.49542837  0.66626593
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.018112   -0.010457   -0.120386
    -0.000000    9.701730   -0.025548
    -0.000000    0.000000   13.978416
   Si   O    H 
    32    64    10
Direct configuration=  2494
   0.14956994  0.17941750 -0.02067402
   0.33145897  0.08872236  0.38202488
   0.14630211  0.43340053  0.11863923
   0.38698639  0.32599183  0.24088293
   0.05710079  0.12983708  0.48961499
   0.38586422  0.11396482  0.85394314
   0.10755263  0.37667684  0.63061410
   0.37356244  0.36732248  0.74809655
   0.13700877  0.69412466 -0.01172149
   0.40892779  0.58494374  0.35547551
   0.06284552  0.88386019  0.13983194
   0.30471219  0.84056990  0.24942039
   0.14887722  0.61652297  0.47849347
   0.37268511  0.61556496  0.86529769
   0.06788395  0.87806600  0.60660828
   0.36329867  0.97572114  0.67912802
   0.61055276  0.11542289  1.00075059
   0.81984672  0.12067550  0.34345682
   0.63090050  0.38536457  0.11054437
   0.88003418  0.30412939  0.16346688
   0.59780754  0.17378289  0.49231427
   0.88197232  0.08759831  0.88991055
   0.61858821  0.44083557  0.62372902
   0.78838984  0.35826420  0.79688094
   0.61969894  0.65830902 -0.00644169
   0.88515786  0.60485401  0.37226175
   0.55379290  0.89388134  0.13323871
   0.81137217  0.83539556  0.23875259
   0.64482272  0.67613972  0.46923039
   0.87882841  0.63155317  0.88739765
   0.62911336  0.91156108  0.60425279
   0.82951881  0.85432319  0.75268718
   0.08655454  0.04843074  0.16231388
   0.34300749  0.18506333  0.28843689
   0.13209288  0.33471852  0.02054100
   0.37696128  0.42412842  0.33656053
   0.53364708  0.31271245  0.19379239
   0.29396002  0.41538491  0.16572537
   0.20020936  0.13035109  0.43364200
  -0.05109424  0.17951750  0.40610362
   0.00207367 -0.00792300  0.53981857
   0.45123779  0.23220130  0.78827856
   0.06874096  0.22795447  0.58138390
   0.35091962  0.45602852  0.84761150
   0.47491481  0.44399376  0.68243317
   0.23610300  0.32953249  0.69911346
   0.24131802  0.16911305 -0.11559375
   0.00786837  0.11741943  0.96190943
   0.11296640  0.59627104  0.08563435
   0.38660602  0.68642531  0.25921914
   0.10163990  0.84673859  0.03270349
   0.33054496  0.92922689  0.34575554
   0.39470244  0.89580659  0.16241159
   0.16022623  0.81009471  0.21717475
   0.30346817  0.62815334  0.43572985
   0.04093438  0.61194681  0.39438841
   0.16435232  0.48779965  0.54880426
   0.32646619  0.69045523  0.75619789
   0.11806006  0.75268726  0.54070467
   0.38058399  0.97374916  0.79619843
   0.45655849  0.88145406  0.61232409
   0.20219996  0.92876833  0.66754910
   0.28756273  0.68672059 -0.04920927
   0.03213777  0.68086407  0.90374285
   0.61577500  0.04521073  0.10697125
   0.83592096  0.18475441  0.23894859
   0.64347845  0.28328339  0.01767783
   0.83196594  0.44036151  0.37458043
   0.02543786  0.37868896  0.19456734
   0.76801073  0.42964322  0.16308294
   0.68456438  0.16859059  0.39106596
   0.45834108  0.11689261  0.45282505
   0.66092000  0.06946469  0.56901477
   0.86375799  0.20642793  0.80907737
   0.57950439  0.31855759  0.54168494
   0.85036357  0.46855439  0.87442883
   1.00597221  0.45863468  0.69598492
   0.75656467  0.40452245  0.68566059
   0.74652675  0.05275047  0.95341403
   0.47399146  0.08344069  0.94689742
   0.57984432  0.53377886  0.07355434
   0.84340829  0.67965690  0.27802931
   0.55488888  0.80075938  0.03230429
   0.82858553  0.95100761  0.32260891
   0.90612630  0.85029568  0.14673145
   0.65366893  0.81551561  0.20918153
   0.80190199  0.67619632  0.46459009
   0.57194573  0.59421881  0.38523758
   0.62272655  0.59447163  0.57887163
   0.80840388  0.70320057  0.80033846
   0.57499755  0.82840431  0.45458003
   0.92213935  0.96270960  0.81799942
   0.93319979  0.81706653  0.66884049
   0.68302000  0.93276361  0.72441725
   0.77837457  0.66187144  0.98598071
   0.53734165  0.62843649  0.89447205
   0.71776426  0.80552825  0.57722357
   0.53451476  0.84460378  0.38728980
   0.90014574  0.26945224  0.06387507
   0.91103717  0.37927567  0.36414164
   0.38994711  0.12155848  0.64188600
   0.28993157  0.79445997  0.76664735
   0.15552010  1.08422194  0.20066314
   0.22786920  1.08692123  0.05002480
   0.65938876  0.34528605  0.84225591
   0.93081266  0.49750939  0.66928367
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.017673   -0.011713   -0.122213
    -0.000000    9.703701   -0.026292
    -0.000000    0.000000   13.977650
   Si   O    H 
    32    64    10
Direct configuration=  2495
   0.14890618  0.17844344 -0.02107315
   0.32974040  0.09060410  0.38232035
   0.14653074  0.43416057  0.11813420
   0.38792460  0.32779215  0.24088267
   0.05517217  0.12973908  0.48909446
   0.38757949  0.11344563  0.85476833
   0.10656628  0.37570290  0.63069271
   0.37645292  0.36600972  0.74863382
   0.13718110  0.69365996 -0.01112237
   0.40773672  0.58505507  0.35683225
   0.06459660  0.88427679  0.13898906
   0.30486347  0.84023268  0.24959912
   0.14903833  0.61553606  0.47901284
   0.37372820  0.61444662  0.86520675
   0.06852658  0.87820219  0.60484919
   0.36224517  0.97562355  0.67862231
   0.61024736  0.11639590  1.00090937
   0.81960852  0.12106968  0.34291057
   0.63043844  0.38532281  0.11078951
   0.88027633  0.30406467  0.16319516
   0.59938668  0.17291138  0.49196763
   0.88209772  0.08799404  0.89016451
   0.61953712  0.43929718  0.62419211
   0.78878808  0.35825505  0.79716673
   0.61859358  0.65859385 -0.00641717
   0.88480408  0.60521892  0.37314789
   0.55351028  0.89379257  0.13293192
   0.81222010  0.83577080  0.23941908
   0.64489565  0.67680230  0.46835853
   0.87968059  0.63211066  0.88754716
   0.62842964  0.91261304  0.60439699
   0.82984370  0.85501197  0.75309323
   0.08478891  0.04891268  0.16207091
   0.34463152  0.18460344  0.28867860
   0.13217624  0.33467808  0.02002997
   0.37490233  0.42497374  0.33633028
   0.53291821  0.31565796  0.19342306
   0.29391588  0.41377962  0.16547405
   0.20050127  0.13030739  0.43277424
  -0.05147140  0.17970474  0.40547964
   0.00216620 -0.00928091  0.54019216
   0.45004745  0.23058177  0.78944044
   0.06846487  0.22985421  0.58104204
   0.35036785  0.45630291  0.84821673
   0.47386763  0.44342512  0.68362998
   0.23573013  0.33143095  0.69716161
   0.24125319  0.16946073 -0.11680684
   0.00727064  0.11619947  0.96250181
   0.11279694  0.59569280  0.08601648
   0.38521291  0.68608208  0.25781043
   0.10214936  0.84656416  0.03315444
   0.33114535  0.92843638  0.34564562
   0.39825393  0.89399793  0.16169786
   0.15970028  0.81005215  0.21772541
   0.30345598  0.62926526  0.43508362
   0.04048034  0.61099352  0.39419559
   0.16322688  0.48627142  0.54757433
   0.32653057  0.68871219  0.75656726
   0.11810850  0.75244277  0.54102300
   0.38048453  0.97459594  0.79506916
   0.45660488  0.88231562  0.61161809
   0.20460119  0.92790612  0.66812987
   0.28712714  0.68720665 -0.05065745
   0.03219364  0.67954827  0.90370134
   0.61562304  0.04429340  0.10874269
   0.83757469  0.18395797  0.23785912
   0.64214406  0.28084289  0.01775720
   0.83111376  0.44174223  0.37424784
   0.02642855  0.37832719  0.19538450
   0.76738866  0.43040629  0.16277496
   0.68454470  0.16926360  0.39155524
   0.45941569  0.11556694  0.45247296
   0.65934095  0.06960371  0.57042289
   0.86308634  0.20746363  0.80921971
   0.57886853  0.32021420  0.54142773
   0.85075434  0.46796825  0.87434453
   1.00617064  0.46003131  0.69513947
   0.75778966  0.40347980  0.68657547
   0.74701322  0.05350624  0.95257762
   0.47346645  0.08222822  0.94620614
   0.57930502  0.53499697  0.07305990
   0.84425717  0.67777712  0.27743916
   0.55560452  0.79993014  0.03343177
   0.82769033  0.94983880  0.32179774
   0.90644478  0.84850924  0.14664722
   0.65485707  0.81645820  0.20873483
   0.80040495  0.67700024  0.46382984
   0.57247727  0.59443944  0.38471416
   0.62359183  0.59644385  0.57870276
   0.80883506  0.70277976  0.79931063
   0.57479590  0.82889745  0.45449783
   0.92326418  0.96063195  0.81852714
   0.93427054  0.81803818  0.66905139
   0.68409770  0.93326930  0.72517943
   0.77985193  0.66016021  0.98599616
   0.53766251  0.62812509  0.89471241
   0.71851905  0.79625580  0.57106570
   0.53546193  0.83812723  0.39296030
   0.90128289  0.26688718  0.06220321
   0.91375596  0.38005946  0.36566754
   0.39364335  0.11043023  0.63939327
   0.29312028  0.80003674  0.76731342
   0.15740328  1.08333081  0.20551341
   0.22134894  1.09012864  0.04896606
   0.65307203  0.34712615  0.84066129
   0.92707608  0.50409304  0.66866877
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.017178   -0.013182   -0.123967
    -0.000000    9.705851   -0.027071
    -0.000000    0.000000   13.976996
   Si   O    H 
    32    64    10
Direct configuration=  2496
   0.14935227  0.17720148 -0.02148220
   0.32838202  0.09187412  0.38253101
   0.14662633  0.43402978  0.11779917
   0.38864942  0.32916478  0.24064052
   0.05397524  0.12966015  0.48849958
   0.38927583  0.11293522  0.85561517
   0.10607804  0.37538977  0.63072211
   0.37877356  0.36502421  0.74952050
   0.13616888  0.69306156 -0.01009565
   0.40672054  0.58530537  0.35801348
   0.06616074  0.88472397  0.13829990
   0.30563646  0.83914386  0.25017273
   0.14965893  0.61510432  0.47940618
   0.37517234  0.61398840  0.86509447
   0.06894301  0.87836179  0.60349303
   0.36115388  0.97545327  0.67773406
   0.61050550  0.11688309  1.00108457
   0.82025072  0.12157388  0.34221516
   0.62970208  0.38508540  0.11118294
   0.88030646  0.30329643  0.16274554
   0.60084610  0.17246733  0.49184292
   0.88243580  0.08823285  0.89015157
   0.62026850  0.43808946  0.62445027
   0.78917514  0.35823815  0.79799839
   0.61747833  0.65856587 -0.00630801
   0.88418528  0.60521620  0.37369860
   0.55342324  0.89306988  0.13266392
   0.81335549  0.83634483  0.24030986
   0.64486371  0.67738512  0.46771715
   0.88036582  0.63245154  0.88804220
   0.62764872  0.91338128  0.60470991
   0.83047450  0.85582827  0.75348267
   0.08302052  0.04955864  0.16314825
   0.34538880  0.18385352  0.28801808
   0.13163756  0.33497033  0.01969192
   0.37391437  0.42598558  0.33672618
   0.53175538  0.31937302  0.19293622
   0.29435911  0.41240243  0.16541738
   0.20003942  0.13097620  0.43248836
  -0.05165023  0.17993391  0.40472786
   0.00171035 -0.00970867  0.54050992
   0.44995846  0.22837344  0.79004660
   0.06779311  0.23202698  0.58081505
   0.34910750  0.45540101  0.84814718
   0.47350536  0.44281362  0.68407105
   0.23533874  0.33287199  0.69622673
   0.24124135  0.16910909 -0.11819386
   0.00603278  0.11591551  0.96299487
   0.11276350  0.59454005  0.08661245
   0.38341315  0.68544502  0.25715420
   0.10308572  0.84675791  0.03352608
   0.33236728  0.92803432  0.34567110
   0.40060098  0.89226964  0.16087371
   0.15876982  0.81004835  0.21869412
   0.30278459  0.63044091  0.43443785
   0.04039123  0.61062598  0.39389886
   0.16129723  0.48299849  0.54714378
   0.32751270  0.68785222  0.75739104
   0.11854016  0.75253069  0.54078498
   0.38031428  0.97525715  0.79435731
   0.45673413  0.88277610  0.61076478
   0.20614705  0.92761398  0.66775413
   0.28688946  0.68735683 -0.05163963
   0.03160130  0.67872435  0.90370019
   0.61607579  0.04364338  0.11028225
   0.83754337  0.18353386  0.23670159
   0.64065822  0.27837637  0.01753680
   0.83066603  0.44302217  0.37363655
   0.02673635  0.37775291  0.19632493
   0.76750358  0.43124830  0.16247922
   0.68482290  0.16973907  0.39236096
   0.45905819  0.11436908  0.45245298
   0.65804956  0.06964455  0.57142815
   0.86208552  0.20871245  0.80944269
   0.57905635  0.32231624  0.54109971
   0.85051308  0.46702418  0.87388676
   1.00607767  0.46152464  0.69397972
   0.75863708  0.40279857  0.68694567
   0.74761989  0.05498571  0.95134278
   0.47358587  0.08136015  0.94639408
   0.57937374  0.53609908  0.07233554
   0.84566079  0.67649421  0.27684103
   0.55575980  0.79947241  0.03438671
   0.82636466  0.94873876  0.32088428
   0.90646531  0.84742630  0.14688052
   0.65626148  0.81721061  0.20876334
   0.79915580  0.67793319  0.46261825
   0.57251797  0.59480895  0.38431327
   0.62501236  0.59841745  0.57841347
   0.80973960  0.70233703  0.79878827
   0.57556208  0.82891881  0.45407008
   0.92445531  0.95869610  0.81954337
   0.93489013  0.81903342  0.66893910
   0.68516581  0.93418157  0.72551702
   0.78185732  0.65879923  0.98502699
   0.53759055  0.62813931  0.89463109
   0.71646334  0.79504498  0.56799411
   0.53322138  0.83304915  0.39488275
   0.89928093  0.26185635  0.06384029
   0.91004872  0.38354755  0.36651887
   0.39427161  0.10191934  0.63834120
   0.30151182  0.78779879  0.76911403
   0.15169916  1.08435174  0.20764739
   0.21604961  1.09636510  0.04673749
   0.64943589  0.35043285  0.83805592
   0.92401612  0.50973868  0.66868784
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.016644   -0.014342   -0.125730
    -0.000000    9.707476   -0.027990
    -0.000000    0.000000   13.976513
   Si   O    H 
    32    64    10
Direct configuration=  2497
   0.14994271  0.17526391 -0.02189319
   0.32755230  0.09243099  0.38249309
   0.14585757  0.43338816  0.11803529
   0.38940423  0.33084397  0.24033060
   0.05284872  0.12926939  0.48775794
   0.39046806  0.11229429  0.85669547
   0.10563951  0.37500256  0.63073605
   0.38017253  0.36413012  0.75043438
   0.13448159  0.69288201 -0.00898772
   0.40603343  0.58612182  0.35872797
   0.06737535  0.88526714  0.13780867
   0.30730782  0.83791055  0.25062029
   0.15015828  0.61523565  0.47957563
   0.37651875  0.61385895  0.86462293
   0.06943153  0.87786998  0.60248743
   0.36061682  0.97554048  0.67688856
   0.61193692  0.11712703  1.00166813
   0.82121456  0.12209088  0.34134961
   0.62893206  0.38545358  0.11142606
   0.88033023  0.30330167  0.16239220
   0.60281139  0.17256556  0.49118701
   0.88240749  0.08848995  0.89017199
   0.62070954  0.43744736  0.62473309
   0.78947209  0.35775948  0.79902429
   0.61636951  0.65787793 -0.00591599
   0.88314765  0.60494223  0.37436806
   0.55284468  0.89253053  0.13289189
   0.81373600  0.83649474  0.24080087
   0.64424428  0.67809730  0.46751316
   0.87971626  0.63314395  0.88837037
   0.62722928  0.91422893  0.60524398
   0.83108979  0.85707466  0.75361608
   0.08099615  0.05057119  0.16431287
   0.34504995  0.18339565  0.28700842
   0.13171500  0.33599907  0.01965444
   0.37302006  0.42715339  0.33658532
   0.53079192  0.32215800  0.19156302
   0.29407851  0.41136200  0.16518327
   0.19846687  0.13198191  0.43273098
  -0.05140339  0.17984844  0.40393119
   0.00036776 -0.00946162  0.54017222
   0.45050772  0.22615834  0.79047611
   0.06764565  0.23370490  0.57975529
   0.34884964  0.45402033  0.84825080
   0.47508091  0.44231926  0.68421072
   0.23489333  0.33430638  0.69522695
   0.24086285  0.16949171 -0.11899598
   0.00393182  0.11542933  0.96299099
   0.11242200  0.59308309  0.08683475
   0.38123662  0.68471259  0.25680899
   0.10555367  0.84712728  0.03341153
   0.33384455  0.92735208  0.34633136
   0.40249701  0.89148013  0.16053293
   0.15822259  0.80943712  0.21948643
   0.30162260  0.63113024  0.43360780
   0.04079058  0.61062756  0.39317640
   0.16001245  0.47983278  0.54727727
   0.32789557  0.68778936  0.75828996
   0.11923035  0.75286563  0.54031045
   0.38030915  0.97512345  0.79409959
   0.45728762  0.88294334  0.61106653
   0.20693015  0.92690643  0.66748830
   0.28606922  0.68762845 -0.05265952
   0.03139782  0.67777389  0.90368590
   0.61679394  0.04297482  0.11102052
   0.83804389  0.18425597  0.23572764
   0.63934920  0.27613646  0.01784479
   0.83074730  0.44424775  0.37254841
   0.02689680  0.37778566  0.19713309
   0.76792841  0.43187030  0.16209900
   0.68528842  0.17086058  0.39353507
   0.45840634  0.11306722  0.45226995
   0.65684937  0.06929535  0.57224000
   0.86140970  0.20918000  0.80992204
   0.57976016  0.32422644  0.54051960
   0.85070152  0.46672414  0.87294291
   1.00534461  0.46270603  0.69289836
   0.75936790  0.40215615  0.68723550
   0.74868156  0.05660277  0.94991443
   0.47365546  0.08081009  0.94766781
   0.57982703  0.53743839  0.07136923
   0.84753204  0.67474795  0.27561875
   0.55599602  0.79929046  0.03504490
   0.82496810  0.94854832  0.32054520
   0.90745307  0.84682162  0.14722116
   0.65887860  0.81824705  0.20878393
   0.79780365  0.67825745  0.46164056
   0.57202824  0.59498381  0.38396990
   0.62612578  0.60018867  0.57815733
   0.80998862  0.70240796  0.79821311
   0.57653822  0.82910329  0.45381471
   0.92475010  0.95688399  0.82048204
   0.93577712  0.82034158  0.66866107
   0.68660453  0.93357093  0.72551641
   0.78429083  0.65743181  0.98415020
   0.53776078  0.62854662  0.89441748
   0.71283001  0.80229439  0.56898722
   0.52734938  0.83017714  0.38940715
   0.89656488  0.25331608  0.06786288
   0.90128961  0.38691027  0.36695131
   0.39331676  0.10262495  0.63679139
   0.30682137  0.77341257  0.77069039
   0.14414401  1.08507742  0.20934845
   0.21641195  1.09816742  0.04463766
   0.65062453  0.35081334  0.83386036
   0.92965359  0.51071085  0.66881300
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.016317   -0.016029   -0.127130
    -0.000000    9.709430   -0.028580
    -0.000000    0.000000   13.976128
   Si   O    H 
    32    64    10
Direct configuration=  2498
   0.15043002  0.17343154 -0.02225571
   0.32769425  0.09262904  0.38241788
   0.14521635  0.43272110  0.11807176
   0.39038371  0.33287203  0.23993741
   0.05168562  0.12905864  0.48687483
   0.39148104  0.11170178  0.85776063
   0.10552847  0.37497546  0.63081737
   0.38158161  0.36377045  0.75129516
   0.13311911  0.69295370 -0.00820523
   0.40624290  0.58684849  0.35912632
   0.06835931  0.88619763  0.13750576
   0.30919060  0.83612729  0.25117929
   0.15113508  0.61549989  0.47980699
   0.37763300  0.61387814  0.86425451
   0.07011187  0.87714245  0.60160304
   0.36009032  0.97570526  0.67599480
   0.61339860  0.11712630  1.00248396
   0.82259389  0.12283796  0.34041950
   0.62824372  0.38644537  0.11139897
   0.88032444  0.30405607  0.16191262
   0.60415316  0.17320948  0.49080281
   0.88251474  0.08785917  0.89008952
   0.62117887  0.43683655  0.62469886
   0.78948903  0.35693115  0.80050281
   0.61592718  0.65755880 -0.00546081
   0.88178738  0.60511823  0.37507117
   0.55267260  0.89183979  0.13315758
   0.81471604  0.83600324  0.24117553
   0.64367905  0.67883545  0.46746447
   0.87877061  0.63382479  0.88894782
   0.62683687  0.91433290  0.60598606
   0.83211922  0.85845755  0.75343389
   0.07937231  0.05112856  0.16495334
   0.34561376  0.18333534  0.28595885
   0.13084789  0.33731059  0.01983364
   0.37152317  0.42910175  0.33650462
   0.53061309  0.32423332  0.19006017
   0.29462940  0.40989617  0.16519982
   0.19683678  0.13343189  0.43319276
  -0.05123644  0.18031383  0.40347117
  -0.00056843 -0.00846745  0.53908459
   0.45138421  0.22436847  0.79112595
   0.06678437  0.23529882  0.57863822
   0.34928692  0.45263128  0.84882072
   0.47783494  0.44310274  0.68474514
   0.23406619  0.33533786  0.69440314
   0.24141370  0.16992821 -0.11986865
   0.00220290  0.11545402  0.96325557
   0.11257310  0.59171194  0.08692566
   0.37980423  0.68401097  0.25700903
   0.10791666  0.84753778  0.03295967
   0.33501661  0.92694826  0.34670946
   0.40281817  0.89138503  0.16031793
   0.15713426  0.80872652  0.21992597
   0.30019369  0.63189484  0.43299465
   0.04172061  0.61082575  0.39272439
   0.15875037  0.47774137  0.54794368
   0.32918195  0.68632122  0.75916136
   0.11981438  0.75311563  0.53932641
   0.37993077  0.97474363  0.79399123
   0.45830956  0.88309328  0.61148844
   0.20620933  0.92740986  0.66749856
   0.28594567  0.68750258 -0.05320029
   0.03028521  0.67714067  0.90354942
   0.61780811  0.04267251  0.11165729
   0.83894683  0.18458218  0.23513838
   0.63784335  0.27504209  0.01851219
   0.82967909  0.44628967  0.37159203
   0.02662385  0.37785602  0.19758897
   0.76811094  0.43211235  0.16173914
   0.68562138  0.17232543  0.39452045
   0.45772303  0.11114233  0.45219282
   0.65665592  0.06897460  0.57349696
   0.86144785  0.20973229  0.81087618
   0.58054808  0.32575741  0.54001652
   0.85185962  0.46705001  0.87203864
   1.00426217  0.46372975  0.69210729
   0.75947032  0.40123529  0.68699090
   0.74993291  0.05785386  0.94855212
   0.47485896  0.08034148  0.94953840
   0.58015577  0.53905739  0.07005894
   0.84872170  0.67334145  0.27413693
   0.55673896  0.79874330  0.03543046
   0.82371335  0.95024500  0.32074808
   0.90929712  0.84571524  0.14736857
   0.66064424  0.81936582  0.20895145
   0.79815880  0.67802597  0.46075479
   0.57033938  0.59477504  0.38399845
   0.62733310  0.60081611  0.57819060
   0.81027469  0.70176493  0.79742169
   0.57682027  0.82912689  0.45336265
   0.92491169  0.95608976  0.82181471
   0.93735844  0.82211313  0.66755476
   0.68747742  0.93360821  0.72559959
   0.78618292  0.65690150  0.98330810
   0.53836211  0.62848931  0.89363438
   0.70976240  0.81238801  0.57186148
   0.52525208  0.82843079  0.39082759
   0.89204770  0.24336494  0.06991563
   0.90324141  0.37812011  0.36711434
   0.38880589  0.11144649  0.63215903
   0.30506781  0.78656556  0.77498270
   0.14238564  1.08681393  0.21315634
   0.22072248  1.09715151  0.04449122
   0.65454807  0.35034238  0.83189428
   0.93267063  0.51295302  0.66395632
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.015907   -0.017383   -0.128231
    -0.000000    9.711307   -0.029002
    -0.000000    0.000000   13.975984
   Si   O    H 
    32    64    10
Direct configuration=  2499
   0.15036116  0.17206020 -0.02256421
   0.32797732  0.09273768  0.38231313
   0.14461246  0.43216137  0.11762337
   0.39116467  0.33454383  0.23966269
   0.05092713  0.12955091  0.48633104
   0.39238049  0.11147284  0.85867204
   0.10593461  0.37528491  0.63109439
   0.38234665  0.36254140  0.75210041
   0.13219270  0.69394560 -0.00740370
   0.40725863  0.58798351  0.35935659
   0.06903699  0.88770758  0.13767357
   0.31114189  0.83451253  0.25137815
   0.15220949  0.61543967  0.48037127
   0.37896122  0.61447274  0.86351377
   0.07063619  0.87655065  0.60129520
   0.35961376  0.97627097  0.67536792
   0.61465128  0.11624392  1.00322243
   0.82386465  0.12305090  0.33937890
   0.62809648  0.38827083  0.11118241
   0.88068751  0.30556911  0.16142372
   0.60529405  0.17247333  0.49064945
   0.88313128  0.08713306  0.89013115
   0.62116310  0.43645010  0.62495755
   0.78905775  0.35576436  0.80189859
   0.61547372  0.65776937 -0.00507303
   0.88116101  0.60456766  0.37553856
   0.55344845  0.89147335  0.13307126
   0.81468187  0.83485557  0.24149759
   0.64323225  0.67876407  0.46764149
   0.87789318  0.63387649  0.88933550
   0.62618219  0.91391584  0.60743941
   0.83391841  0.85943939  0.75310761
   0.07786399  0.05133749  0.16589692
   0.34586604  0.18333943  0.28463476
   0.13063028  0.33918614  0.02063374
   0.37091363  0.43075057  0.33581454
   0.53076789  0.32576005  0.18889853
   0.29517691  0.40876149  0.16464394
   0.19479033  0.13425211  0.43418432
  -0.05123870  0.17989104  0.40321289
  -0.00145296 -0.00792661  0.53734086
   0.45257129  0.22247049  0.79188205
   0.06498613  0.23608146  0.57736256
   0.35003201  0.45084607  0.84846532
   0.48160490  0.44437483  0.68538470
   0.23349955  0.33592099  0.69392502
   0.24181040  0.17038736 -0.12051066
   0.00075998  0.11603112  0.96346504
   0.11341805  0.59015660  0.08675518
   0.37795982  0.68363430  0.25792586
   0.11052916  0.84854907  0.03169587
   0.33518868  0.92624792  0.34693787
   0.40207686  0.89177408  0.16050466
   0.15607459  0.80752394  0.22036486
   0.29914740  0.63298816  0.43250261
   0.04289753  0.61109383  0.39284847
   0.15780642  0.47517223  0.54792655
   0.33048851  0.68563130  0.76034850
   0.12037937  0.75282435  0.53845458
   0.37978510  0.97400030  0.79399824
   0.45993275  0.88285789  0.61202573
   0.20504273  0.92770531  0.66713143
   0.28586167  0.68809482 -0.05408235
   0.02882909  0.67644144  0.90347130
   0.61836946  0.04299673  0.11193175
   0.84021207  0.18545069  0.23504386
   0.63671452  0.27539932  0.01934515
   0.82979074  0.44739958  0.37070139
   0.02556770  0.37838352  0.19776222
   0.76848439  0.43238671  0.16093415
   0.68621780  0.17336200  0.39520735
   0.45754143  0.10902494  0.45147948
   0.65608024  0.06855618  0.57386320
   0.86181168  0.20985914  0.81198814
   0.58125217  0.32717443  0.53963503
   0.85368083  0.46807885  0.87119527
   1.00318656  0.46510994  0.69113509
   0.75970727  0.40013729  0.68662336
   0.75142060  0.05876731  0.94723419
   0.47656076  0.08093931  0.95217987
   0.58009314  0.54037938  0.06854239
   0.84932566  0.67152923  0.27240562
   0.55844330  0.79788869  0.03590311
   0.82320915  0.95283480  0.32155134
   0.91201692  0.84508765  0.14753710
   0.66192882  0.82075220  0.20965272
   0.79844909  0.67792137  0.46001924
   0.56775597  0.59485781  0.38385376
   0.62885509  0.60093975  0.57796024
   0.80995720  0.70186964  0.79692229
   0.57635556  0.82873154  0.45165825
   0.92553113  0.95596158  0.82315363
   0.93918115  0.82333905  0.66700078
   0.68887555  0.93327235  0.72572966
   0.78759867  0.65742442  0.98230216
   0.53872955  0.62831832  0.89345452
   0.71161094  0.81948474  0.57391452
   0.52474460  0.83025583  0.39372833
   0.88842459  0.23177818  0.06845364
   0.90258651  0.37294546  0.36867144
   0.38334270  0.12080145  0.63224461
   0.30190594  0.78949624  0.77713808
   0.14019428  1.09182547  0.21848002
   0.22820806  1.09250542  0.04708367
   0.65121917  0.34917954  0.83081233
   0.93627203  0.51506762  0.65575542
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.015482   -0.017701   -0.129657
    -0.000000    9.712944   -0.030066
    -0.000000    0.000000   13.975831
   Si   O    H 
    32    64    10
Direct configuration=  2500
   0.15125380  0.17030371 -0.02347572
   0.32849878  0.09188639  0.38208796
   0.14413846  0.43177627  0.11746049
   0.39186888  0.33612893  0.23976382
   0.05072121  0.13024023  0.48568106
   0.39288637  0.11070434  0.85967441
   0.10630374  0.37567508  0.63181855
   0.38251639  0.36239287  0.75258438
   0.13175115  0.69458239 -0.00686837
   0.40746417  0.58922940  0.35961065
   0.06938092  0.88997511  0.13760107
   0.31291316  0.83292365  0.25130979
   0.15350174  0.61509345  0.48071812
   0.37978061  0.61496179  0.86236125
   0.07115008  0.87573605  0.60124014
   0.35830353  0.97631998  0.67445165
   0.61615566  0.11464875  1.00357775
   0.82423787  0.12358714  0.33863937
   0.62852654  0.39042631  0.11054996
   0.88142065  0.30651101  0.16108382
   0.60552064  0.17211865  0.49104632
   0.88280433  0.08625150  0.89003873
   0.62098379  0.43711083  0.62480307
   0.78827138  0.35402042  0.80289067
   0.61562648  0.65753302 -0.00480953
   0.88048825  0.60332855  0.37545742
   0.55499134  0.89095958  0.13321798
   0.81461466  0.83317336  0.24179744
   0.64261297  0.67849297  0.46802677
   0.87676468  0.63320780  0.88994901
   0.62533298  0.91343332  0.60935553
   0.83499959  0.85993601  0.75254014
   0.07719286  0.05173036  0.16686242
   0.34581880  0.18375492  0.28339892
   0.13050232  0.34097517  0.02095337
   0.37139915  0.43229083  0.33497534
   0.53119724  0.32647101  0.18750879
   0.29519666  0.40799251  0.16386086
   0.19235496  0.13443658  0.43492303
  -0.05107029  0.17966968  0.40254821
  -0.00262244 -0.00814282  0.53552801
   0.45401877  0.22165503  0.79241015
   0.06279719  0.23652727  0.57654684
   0.35088350  0.44931928  0.84744813
   0.48625082  0.44547736  0.68582042
   0.23366485  0.33542550  0.69384730
   0.24242949  0.17125949 -0.12040536
  -0.00047204  0.11661482  0.96405418
   0.11413768  0.58909244  0.08694060
   0.37678960  0.68308275  0.25893662
   0.11280723  0.84970226  0.03016797
   0.33535895  0.92556951  0.34712719
   0.40075615  0.89288361  0.16120302
   0.15404715  0.80682122  0.22104797
   0.29848817  0.63454792  0.43176007
   0.04392434  0.61169639  0.39286631
   0.15679026  0.47382356  0.54816237
   0.33184104  0.68582507  0.76150452
   0.12067552  0.75229136  0.53774861
   0.38057325  0.97337821  0.79387919
   0.46049945  0.88318071  0.61332846
   0.20373105  0.92772675  0.66676551
   0.28549467  0.68871922 -0.05543519
   0.02836134  0.67650507  0.90351757
   0.61917451  0.04390211  0.11222288
   0.84060167  0.18643668  0.23535110
   0.63622715  0.27612662  0.02017834
   0.83001867  0.44774730  0.36986918
   0.02556527  0.37874509  0.19800246
   0.76947387  0.43197801  0.16043159
   0.68637688  0.17415934  0.39527522
   0.45694171  0.10755176  0.45058844
   0.65522071  0.06929347  0.57384408
   0.86252485  0.21012412  0.81341191
   0.58166578  0.32812143  0.53978634
   0.85549483  0.46894123  0.87038587
   1.00263373  0.46610973  0.69056632
   0.76008419  0.39926233  0.68640306
   0.75244373  0.05975807  0.94584815
   0.47759284  0.08164221  0.95479387
   0.57946923  0.54060161  0.06726862
   0.84987866  0.67121721  0.27084467
   0.56022302  0.79672092  0.03635710
   0.82311080  0.95568422  0.32293404
   0.91453093  0.84373358  0.14828705
   0.66338088  0.82282112  0.21065403
   0.79918457  0.67823185  0.45905930
   0.56562055  0.59529587  0.38328762
   0.63067384  0.60078606  0.57776768
   0.80964328  0.70261593  0.79648378
   0.57623959  0.82868238  0.45011575
   0.92676511  0.95614766  0.82456893
   0.94153670  0.82416367  0.66636249
   0.69093238  0.93258234  0.72574716
   0.78861618  0.65810108  0.98160813
   0.53855241  0.62755537  0.89315415
   0.72134220  0.81819482  0.57733709
   0.52066585  0.83297562  0.39364882
   0.88535310  0.22398821  0.06862253
   0.89455139  0.37454489  0.37336804
   0.37833191  0.12116370  0.63617924
   0.30015159  0.77838095  0.77673439
   0.13286339  1.09486402  0.21756991
   0.23319970  1.08917210  0.04937975
   0.64929221  0.34939645  0.83055725
   0.93988920  0.51864711  0.64687658
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.014918   -0.018043   -0.131293
    -0.000000    9.714840   -0.030979
    -0.000000    0.000000   13.975556
   Si   O    H 
    32    64    10
Direct configuration=  2501
   0.15181222  0.16955951 -0.02410711
   0.32899963  0.09140516  0.38203000
   0.14391801  0.43161829  0.11761881
   0.39211179  0.33656874  0.24026563
   0.05038686  0.13092812  0.48564295
   0.39288726  0.10998423  0.86115388
   0.10666032  0.37608355  0.63230798
   0.38237161  0.36152109  0.75302902
   0.13211277  0.69509080 -0.00649338
   0.40737330  0.59076679  0.36007578
   0.06984257  0.89253620  0.13820209
   0.31461900  0.83090127  0.25138687
   0.15493934  0.61454735  0.48063768
   0.38089936  0.61511004  0.86133027
   0.07159726  0.87450595  0.60172060
   0.35721197  0.97674332  0.67325774
   0.61790164  0.11282818  1.00347450
   0.82464376  0.12470717  0.33794586
   0.62859183  0.39239748  0.10974454
   0.88207080  0.30775278  0.16110274
   0.60471189  0.17191288  0.49147002
   0.88313947  0.08501529  0.88952834
   0.62109344  0.43801341  0.62433844
   0.78723201  0.35299463  0.80323293
   0.61686630  0.65723845 -0.00465188
   0.88011374  0.60186983  0.37512930
   0.55652662  0.89051746  0.13315295
   0.81519810  0.83227169  0.24181745
   0.64182822  0.67860694  0.46840018
   0.87530714  0.63238795  0.89030716
   0.62465057  0.91332516  0.61120342
   0.83623435  0.86048302  0.75204783
   0.07651917  0.05198377  0.16812141
   0.34517375  0.18404806  0.28182459
   0.13090354  0.34196917  0.02069487
   0.37217107  0.43353694  0.33360387
   0.53240490  0.32752812  0.18620994
   0.29476929  0.40718719  0.16293214
   0.19043450  0.13415332  0.43525989
  -0.05156379  0.17984617  0.40184520
  -0.00367144 -0.00929375  0.53297981
   0.45526373  0.22186165  0.79215239
   0.06010946  0.23662709  0.57556017
   0.35167625  0.44909708  0.84695574
   0.48964073  0.44666616  0.68601526
   0.23406400  0.33414302  0.69414157
   0.24409548  0.17206680 -0.11996095
  -0.00153099  0.11717719  0.96485699
   0.11564329  0.58914508  0.08689744
   0.37538500  0.68174171  0.26072831
   0.11565102  0.85088445  0.02938924
   0.33526171  0.92539423  0.34750593
   0.39953398  0.89455238  0.16201397
   0.15259088  0.80673973  0.22187924
   0.29723930  0.63560353  0.43082192
   0.04517266  0.61210541  0.39324631
   0.15629503  0.47363355  0.54809120
   0.33308160  0.68632232  0.76196043
   0.12104748  0.75177301  0.53716603
   0.38104476  0.97285583  0.79370426
   0.46131733  0.88293471  0.61474796
   0.20156030  0.92814243  0.66646141
   0.28585524  0.68923144 -0.05696762
   0.02817555  0.67668755  0.90338369
   0.61943970  0.04460822  0.11241852
   0.83993935  0.18737987  0.23546266
   0.63510069  0.27649077  0.02040133
   0.83003218  0.44858211  0.36866969
   0.02537997  0.37923032  0.19816516
   0.77085594  0.43092357  0.16014161
   0.68729834  0.17530569  0.39507994
   0.45685528  0.10648555  0.44945909
   0.65433352  0.06991334  0.57393698
   0.86367745  0.21113770  0.81470756
   0.58310045  0.32872060  0.53992432
   0.85684566  0.47017019  0.86971370
   1.00168238  0.46777656  0.69019542
   0.76011040  0.39869268  0.68631683
   0.75165947  0.06157786  0.94529493
   0.47777501  0.08123275  0.95701660
   0.57878074  0.54050216  0.06653391
   0.85008438  0.67203547  0.26972657
   0.56187796  0.79570048  0.03705566
   0.82304157  0.95815425  0.32359660
   0.91663928  0.84387097  0.14888913
   0.66342950  0.82435585  0.21198656
   0.79949908  0.67827480  0.45820531
   0.56387139  0.59564568  0.38285982
   0.63296642  0.59999097  0.57723592
   0.80903727  0.70517403  0.79647578
   0.57574000  0.82894734  0.44835518
   0.92712062  0.95522551  0.82554960
   0.94360023  0.82554974  0.66530902
   0.69252280  0.93116874  0.72549877
   0.78889055  0.65869661  0.98127388
   0.53807676  0.62657032  0.89282196
   0.72884410  0.81488597  0.57968544
   0.51251281  0.83723611  0.39141540
   0.88225137  0.21991036  0.07282404
   0.88893598  0.37293738  0.37904506
   0.37243947  0.11961422  0.63864848
   0.29844079  0.76534943  0.77628406
   0.12543984  1.09075017  0.21553146
   0.23374952  1.09200024  0.05051407
   0.64919409  0.34707046  0.83297635
   0.94654320  0.51658340  0.64194260
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.014428   -0.018608   -0.132972
    -0.000000    9.716637   -0.031781
    -0.000000    0.000000   13.975558
   Si   O    H 
    32    64    10
Direct configuration=  2502
   0.15262802  0.16896929 -0.02467395
   0.33013416  0.09083647  0.38193451
   0.14339726  0.43113259  0.11768845
   0.39236859  0.33664084  0.24067547
   0.04998228  0.13255324  0.48547439
   0.39261621  0.10875889  0.86245439
   0.10770039  0.37609800  0.63262724
   0.38181342  0.36100952  0.75297242
   0.13322028  0.69523140 -0.00652688
   0.40780050  0.59223613  0.35986399
   0.07022805  0.89470160  0.13871347
   0.31598731  0.82940783  0.25160729
   0.15636694  0.61392695  0.48077763
   0.38172812  0.61597854  0.86064499
   0.07227565  0.87281250  0.60230678
   0.35597838  0.97759909  0.67284651
   0.61968770  0.11133409  1.00372822
   0.82514303  0.12560100  0.33761760
   0.62844006  0.39466157  0.10879879
   0.88277219  0.30867013  0.16099738
   0.60378929  0.17227251  0.49114970
   0.88366849  0.08348593  0.88925599
   0.62147333  0.43903834  0.62399173
   0.78577155  0.35193137  0.80307337
   0.61832613  0.65687245 -0.00460716
   0.88092269  0.60046318  0.37456631
   0.55806142  0.89096053  0.13376019
   0.81616293  0.83167874  0.24157163
   0.64107080  0.67850224  0.46867377
   0.87436004  0.63099506  0.89056368
   0.62429365  0.91346369  0.61286176
   0.83772141  0.86095274  0.75175253
   0.07525683  0.05177341  0.16838784
   0.34431851  0.18428889  0.28055889
   0.13072040  0.34308414  0.01966980
   0.37376410  0.43422136  0.33237912
   0.53321965  0.32815679  0.18508136
   0.29437260  0.40700419  0.16171622
   0.18953226  0.13343600  0.43556838
  -0.05179895  0.18048894  0.40175569
  -0.00535262 -0.01060883  0.53054952
   0.45612932  0.22297813  0.79072439
   0.05836583  0.23694682  0.57473097
   0.35327982  0.44879610  0.84668190
   0.49254334  0.44790923  0.68617881
   0.23439443  0.33302672  0.69478756
   0.24606020  0.17305148 -0.11947435
  -0.00293818  0.11787571  0.96585467
   0.11659040  0.58929192  0.08629688
   0.37387218  0.68062856  0.26271897
   0.11838927  0.85276291  0.02920249
   0.33494568  0.92551328  0.34835872
   0.39862263  0.89678798  0.16280242
   0.15156242  0.80750765  0.22209793
   0.29603620  0.63578480  0.43033195
   0.04609599  0.61195248  0.39372099
   0.15622503  0.47372053  0.54788613
   0.33536492  0.68554560  0.76204165
   0.12193435  0.74997885  0.53651310
   0.38106704  0.97269806  0.79391218
   0.46217872  0.88203216  0.61624547
   0.19898972  0.92821515  0.66623594
   0.28609961  0.68958570 -0.05805147
   0.02843379  0.67676341  0.90343849
   0.61893470  0.04493498  0.11218756
   0.83871114  0.18801771  0.23597752
   0.63474530  0.27806490  0.02049702
   0.82948889  0.44876623  0.36753493
   0.02594517  0.37938477  0.19825811
   0.77268629  0.42926291  0.15980892
   0.68798965  0.17659739  0.39514190
   0.45666361  0.10558977  0.44934695
   0.65412892  0.07073851  0.57443056
   0.86412288  0.21169151  0.81568758
   0.58443589  0.32896253  0.53991279
   0.85806566  0.47130779  0.86950131
   1.00094799  0.46938467  0.69015842
   0.75924102  0.39896228  0.68600637
   0.74971638  0.06288997  0.94485066
   0.47801441  0.08111201  0.95850794
   0.57785216  0.53849617  0.06552492
   0.85010320  0.67353801  0.26941934
   0.56278309  0.79523982  0.03786363
   0.82353942  0.95958671  0.32463897
   0.91860271  0.84472900  0.15026849
   0.66345103  0.82570251  0.21282146
   0.80025036  0.67851076  0.45715609
   0.56249134  0.59672890  0.38300577
   0.63444706  0.59898746  0.57670414
   0.80809929  0.70807794  0.79660708
   0.57508565  0.82937123  0.44644961
   0.92733816  0.95480996  0.82658259
   0.94566303  0.82736519  0.66426463
   0.69348185  0.93006654  0.72542799
   0.78826821  0.65943133  0.98113281
   0.53745910  0.62606738  0.89206151
   0.73582727  0.81122379  0.57922779
   0.51252354  0.84013081  0.39211442
   0.88257256  0.21732381  0.07688577
   0.88684611  0.36396889  0.38153492
   0.36902177  0.11367377  0.64059686
   0.28080371  0.78208739  0.77882078
   0.12819328  1.09617961  0.22116500
   0.23245325  1.09273826  0.04759661
   0.64531758  0.34223537  0.83556808
   0.94986865  0.51399053  0.63692490
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.014001   -0.019466   -0.134555
    -0.000000    9.718057   -0.032211
    -0.000000    0.000000   13.975726
   Si   O    H 
    32    64    10
Direct configuration=  2503
   0.15320459  0.16872492 -0.02499132
   0.33102233  0.09074814  0.38182914
   0.14288366  0.43064716  0.11785617
   0.39227399  0.33609189  0.24142733
   0.04967887  0.13381912  0.48525079
   0.39147588  0.10781490  0.86361683
   0.10884468  0.37625265  0.63262532
   0.38143443  0.36037088  0.75239274
   0.13475919  0.69536602 -0.00675760
   0.40831457  0.59392317  0.35932443
   0.07004408  0.89644657  0.13923495
   0.31662612  0.82794387  0.25151299
   0.15793664  0.61327269  0.48044831
   0.38268349  0.61661456  0.86026352
   0.07259721  0.87139288  0.60269091
   0.35437569  0.97822708  0.67219198
   0.62185786  0.11000960  1.00447045
   0.82538835  0.12614046  0.33741886
   0.62886278  0.39677588  0.10760124
   0.88404469  0.30959706  0.16090100
   0.60237382  0.17288004  0.49089068
   0.88425087  0.08217981  0.88863971
   0.62193113  0.44023427  0.62366894
   0.78414082  0.35144576  0.80304600
   0.62002188  0.65612708 -0.00452799
   0.88223672  0.59859781  0.37410398
   0.55937249  0.89155888  0.13397935
   0.81740471  0.83187563  0.24127284
   0.63991357  0.67855887  0.46929979
   0.87364329  0.63000153  0.89063751
   0.62338282  0.91315081  0.61446486
   0.83880136  0.86128544  0.75166089
   0.07484393  0.05251733  0.16870166
   0.34272111  0.18424218  0.27876668
   0.13022690  0.34346552  0.01882777
   0.37594690  0.43504714  0.33153989
   0.53375959  0.32878909  0.18451059
   0.29342341  0.40670117  0.16030802
   0.18901305  0.13283722  0.43534336
  -0.05131525  0.18063396  0.40151263
  -0.00679114 -0.01262687  0.52834062
   0.45711868  0.22442831  0.78940575
   0.05634323  0.23723236  0.57412196
   0.35536168  0.44890993  0.84710381
   0.49444172  0.44935905  0.68704292
   0.23497013  0.33109788  0.69494177
   0.24734294  0.17359879 -0.11915398
  -0.00307652  0.11784274  0.96660356
   0.11843754  0.58937195  0.08571136
   0.37269330  0.68007274  0.26469475
   0.12064752  0.85443314  0.02906095
   0.33494982  0.92543730  0.34880715
   0.39825354  0.89907192  0.16349201
   0.15098738  0.80845758  0.22233637
   0.29479850  0.63631083  0.42987906
   0.04740099  0.61253702  0.39474299
   0.15639045  0.47518482  0.54746642
   0.33716096  0.68527988  0.76200347
   0.12245579  0.74845390  0.53596413
   0.38081369  0.97229706  0.79399678
   0.46289157  0.88074676  0.61747539
   0.19675768  0.92781254  0.66624794
   0.28582466  0.69020975 -0.05834051
   0.02849718  0.67738310  0.90346371
   0.61806470  0.04458223  0.11240675
   0.83764159  0.18929930  0.23633986
   0.63511451  0.27920285  0.02080216
   0.82899504  0.44772478  0.36667636
   0.02651759  0.38018630  0.19803417
   0.77432647  0.42816454  0.15912556
   0.68934262  0.17787232  0.39497356
   0.45665880  0.10531318  0.44947052
   0.65413359  0.07156755  0.57501165
   0.86460034  0.21159037  0.81690125
   0.58682255  0.32928934  0.53969189
   0.85935976  0.47217052  0.86909884
   1.00062222  0.47048678  0.69029158
   0.75807920  0.39890447  0.68508168
   0.74756938  0.06358897  0.94506881
   0.47793482  0.08085640  0.95983771
   0.57749254  0.53619174  0.06415351
   0.85125635  0.67470500  0.26947042
   0.56362024  0.79536561  0.03925698
   0.82382171  0.96089867  0.32546859
   0.91969357  0.84525052  0.15202415
   0.66255582  0.82623380  0.21358181
   0.80165771  0.67910393  0.45673569
   0.56232145  0.59809014  0.38339672
   0.63637019  0.59792973  0.57655153
   0.80709062  0.71103545  0.79688193
   0.57425864  0.83079744  0.44555918
   0.92732649  0.95381085  0.82729915
   0.94843366  0.82941704  0.66392850
   0.69446541  0.92859749  0.72582276
   0.78680495  0.65976176  0.98103019
   0.53644574  0.62527828  0.89193978
   0.73300481  0.81303692  0.57648144
   0.51613625  0.83966954  0.39272330
   0.88305161  0.21912866  0.08090234
   0.88100574  0.36178940  0.38007323
   0.36680450  0.11682510  0.64153951
   0.27011550  0.78474631  0.77995153
   0.12638813  1.09622332  0.21934901
   0.22994265  1.09325537  0.04292377
   0.64793433  0.33712411  0.83697236
   0.95454745  0.50691865  0.63625253
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.013261   -0.020406   -0.135970
    -0.000000    9.719549   -0.032988
    -0.000000    0.000000   13.975857
   Si   O    H 
    32    64    10
Direct configuration=  2504
   0.15318311  0.16842525 -0.02522270
   0.33166025  0.09038854  0.38164237
   0.14258143  0.43018136  0.11790471
   0.39219712  0.33541578  0.24205523
   0.04933565  0.13503836  0.48537360
   0.39036720  0.10707726  0.86446374
   0.10970582  0.37617465  0.63291727
   0.38078244  0.36018430  0.75188043
   0.13672070  0.69576254 -0.00676591
   0.40864605  0.59549717  0.35872524
   0.06936493  0.89796333  0.14003350
   0.31690642  0.82673869  0.25112081
   0.15930334  0.61284056  0.48003408
   0.38349602  0.61688560  0.86009473
   0.07237340  0.86993232  0.60317784
   0.35324366  0.97878942  0.67154221
   0.62345018  0.10921193  1.00505071
   0.82570084  0.12628554  0.33727400
   0.62959923  0.39833984  0.10649213
   0.88493036  0.31016553  0.16069129
   0.60083989  0.17309060  0.49118632
   0.88485882  0.08159176  0.88850029
   0.62191496  0.44141430  0.62291026
   0.78259037  0.35127573  0.80316442
   0.62198676  0.65537375 -0.00460709
   0.88342129  0.59752740  0.37349868
   0.56027478  0.89196391  0.13407240
   0.81751943  0.83199279  0.24110356
   0.63964521  0.67906227  0.47019002
   0.87337413  0.62868199  0.89056656
   0.62249007  0.91318918  0.61601674
   0.83993489  0.86207199  0.75165747
   0.07480179  0.05391987  0.16887927
   0.34077271  0.18401715  0.27761818
   0.13020166  0.34257428  0.01765209
   0.37870045  0.43559698  0.33112464
   0.53373731  0.32946999  0.18409593
   0.29213093  0.40520771  0.15977367
   0.18895750  0.13151143  0.43414070
  -0.05093810  0.18123376  0.40192232
  -0.00743120 -0.01505153  0.52608152
   0.45817893  0.22528341  0.78836275
   0.05426115  0.23762184  0.57347483
   0.35553580  0.44967336  0.84774535
   0.49517981  0.45055817  0.68789688
   0.23589538  0.32887159  0.69569981
   0.24809198  0.17380262 -0.11893480
  -0.00183079  0.11742472  0.96723209
   0.12004077  0.58967755  0.08494592
   0.37224119  0.67967376  0.26630134
   0.12244261  0.85562381  0.02887701
   0.33502513  0.92582576  0.34919309
   0.39875049  0.90194828  0.16346648
   0.15189108  0.80944729  0.22253966
   0.29443266  0.63790553  0.42920545
   0.04866965  0.61321703  0.39539729
   0.15689867  0.47684046  0.54682060
   0.33792369  0.68615383  0.76180631
   0.12313918  0.74692092  0.53551051
   0.37998114  0.97235005  0.79458389
   0.46341728  0.88003349  0.61902873
   0.19532210  0.92660935  0.66625651
   0.28534055  0.68989106 -0.05872046
   0.02812375  0.67802952  0.90339386
   0.61776827  0.04503981  0.11246929
   0.83694350  0.19119294  0.23680648
   0.63558276  0.27949474  0.02160571
   0.82857242  0.44558509  0.36613346
   0.02769111  0.38122366  0.19717615
   0.77450935  0.42711994  0.15828629
   0.69107388  0.17847848  0.39536583
   0.45618881  0.10520194  0.44952181
   0.65498849  0.07147632  0.57541859
   0.86551204  0.21170836  0.81757265
   0.58895371  0.32925304  0.53938748
   0.85934773  0.47294377  0.86853776
   1.00131308  0.47194050  0.69035358
   0.75707706  0.39873072  0.68505981
   0.74535542  0.06347983  0.94537289
   0.47766974  0.08094677  0.96039166
   0.57596572  0.53336061  0.06295926
   0.85215158  0.67477086  0.26983822
   0.56450689  0.79537339  0.04035217
   0.82483666  0.96199854  0.32582951
   0.91933644  0.84646300  0.15350960
   0.66146295  0.82692759  0.21375086
   0.80249703  0.68061252  0.45632420
   0.56167867  0.59944504  0.38350815
   0.63799817  0.59624028  0.57640397
   0.80673667  0.71368882  0.79718537
   0.57393509  0.83166080  0.44498455
   0.92751492  0.95324807  0.82767657
   0.95021062  0.83036894  0.66437806
   0.69494830  0.92709734  0.72598712
   0.78471737  0.65954317  0.98103152
   0.53656276  0.62448503  0.89221865
   0.72565449  0.82173032  0.57407937
   0.51542788  0.84288758  0.38940514
   0.88576495  0.22105225  0.07830406
   0.87257277  0.36159846  0.37941933
   0.36656512  0.12452763  0.63943340
   0.26945172  0.77330907  0.77798803
   0.12659760  1.09447033  0.21811383
   0.22775618  1.09141380  0.04114312
   0.64897771  0.33462958  0.83807513
   0.95209618  0.50227577  0.63577554
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.012265   -0.021515   -0.136863
    -0.000000    9.721026   -0.034196
    -0.000000    0.000000   13.976390
   Si   O    H 
    32    64    10
Direct configuration=  2505
   0.15333584  0.16847872 -0.02556633
   0.33254593  0.09069784  0.38122726
   0.14202183  0.42976962  0.11800627
   0.39191413  0.33544128  0.24277498
   0.04873956  0.13587662  0.48556553
   0.38961490  0.10717690  0.86503579
   0.11013439  0.37550103  0.63321791
   0.37995170  0.36002657  0.75113855
   0.13815567  0.69587507 -0.00689591
   0.40914839  0.59680908  0.35841458
   0.06897331  0.89932631  0.14084572
   0.31606896  0.82615111  0.25028200
   0.16016134  0.61285786  0.47996107
   0.38430644  0.61691383  0.86022542
   0.07208502  0.86849893  0.60338588
   0.35227460  0.97930770  0.67144786
   0.62504192  0.10778216  1.00596904
   0.82520111  0.12594013  0.33728135
   0.63042552  0.39960245  0.10553771
   0.88585653  0.31067649  0.16079543
   0.59951565  0.17278128  0.49140514
   0.88544682  0.08100817  0.88824691
   0.62180817  0.44228133  0.62218109
   0.78121007  0.35170484  0.80313153
   0.62333303  0.65471162 -0.00482013
   0.88492917  0.59732266  0.37279479
   0.56120277  0.89194893  0.13414240
   0.81699975  0.83271041  0.24107401
   0.63923461  0.67981118  0.47092313
   0.87379089  0.62782280  0.89011618
   0.62250386  0.91299075  0.61762932
   0.84157267  0.86262779  0.75116799
   0.07517563  0.05577456  0.16904874
   0.33850799  0.18338186  0.27657052
   0.13082209  0.34195269  0.01676048
   0.38179687  0.43669592  0.33056899
   0.53263895  0.33027174  0.18473101
   0.29111734  0.40374118  0.15969881
   0.18965277  0.12958085  0.43266276
  -0.05024544  0.18221120  0.40140058
  -0.00847514 -0.01644526  0.52370320
   0.45812585  0.22575770  0.78796236
   0.05167614  0.23861088  0.57301636
   0.35532268  0.45065410  0.84839162
   0.49480524  0.45190048  0.68899541
   0.23716944  0.32791133  0.69689399
   0.24876672  0.17393937 -0.11841893
  -0.00050646  0.11711037  0.96728517
   0.12128685  0.59075523  0.08381593
   0.37204341  0.67915129  0.26735681
   0.12414298  0.85759301  0.02924071
   0.33523884  0.92660028  0.34942639
   0.39834797  0.90435118  0.16370880
   0.15353630  0.81131474  0.22257507
   0.29474877  0.63927106  0.42890783
   0.04966109  0.61374911  0.39631348
   0.15793730  0.47843962  0.54625861
   0.33781606  0.68821285  0.76123972
   0.12446977  0.74572722  0.53485314
   0.37882018  0.97236996  0.79484897
   0.46460098  0.87942243  0.62059560
   0.19458842  0.92576669  0.66607190
   0.28443990  0.68943031 -0.05884032
   0.02757918  0.67853381  0.90367235
   0.61710891  0.04573520  0.11210771
   0.83549345  0.19373190  0.23688417
   0.63602764  0.27933331  0.02197362
   0.82795695  0.44423386  0.36557794
   0.02873390  0.38308843  0.19655353
   0.77530467  0.42661614  0.15806809
   0.69349238  0.17907306  0.39593933
   0.45552007  0.10511155  0.44992119
   0.65552980  0.07112156  0.57610924
   0.86721972  0.21130938  0.81832429
   0.59095492  0.32830758  0.53928903
   0.85840274  0.47245579  0.86772534
   1.00208164  0.47321056  0.69080849
   0.75519262  0.39825472  0.68553992
   0.74385523  0.06315547  0.94469950
   0.47704086  0.08075425  0.96050302
   0.57465232  0.53140525  0.06200763
   0.85350802  0.67384092  0.27055858
   0.56471170  0.79565819  0.04118571
   0.82556530  0.96281758  0.32630176
   0.91884872  0.84766091  0.15508899
   0.66036304  0.82754278  0.21423918
   0.80297049  0.68166218  0.45565810
   0.56114243  0.60115548  0.38386743
   0.63972424  0.59461148  0.57546920
   0.80633576  0.71624345  0.79764756
   0.57405004  0.83135213  0.44469108
   0.92751304  0.95163936  0.82858096
   0.95195573  0.83121913  0.66533259
   0.69485850  0.92480963  0.72588207
   0.78239313  0.65957170  0.98103973
   0.53692036  0.62435313  0.89328519
   0.71621943  0.82987952  0.57396785
   0.51496847  0.84631911  0.38795762
   0.88945727  0.22380040  0.07513092
   0.86695723  0.35880421  0.37700467
   0.36550169  0.12756787  0.63750254
   0.28044128  0.74800896  0.77264361
   0.13179752  1.09630857  0.21847924
   0.22914579  1.08806344  0.04187325
   0.64798143  0.33117422  0.83821108
   0.94265052  0.50116730  0.63464419
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.011208   -0.022832   -0.137280
    -0.000000    9.722456   -0.035783
    -0.000000    0.000000   13.976998
   Si   O    H 
    32    64    10
Direct configuration=  2506
   0.15370788  0.16918782 -0.02530608
   0.33293326  0.09133534  0.38063192
   0.14149929  0.42951418  0.11829797
   0.39139334  0.33575399  0.24323426
   0.04875158  0.13646108  0.48601306
   0.38879902  0.10742056  0.86561218
   0.11015963  0.37453881  0.63350537
   0.38000012  0.36110185  0.75038929
   0.13954191  0.69645201 -0.00707681
   0.41003266  0.59755230  0.35842523
   0.06800518  0.89968612  0.14174800
   0.31497190  0.82631428  0.24920815
   0.16078014  0.61261909  0.47961427
   0.38488972  0.61670957  0.86109727
   0.07197060  0.86698171  0.60320205
   0.35135287  0.97990606  0.67194492
   0.62621571  0.10730513  1.00689042
   0.82402818  0.12626306  0.33766952
   0.63082543  0.39995696  0.10524953
   0.88672271  0.31106826  0.16080842
   0.59805878  0.17227178  0.49162572
   0.88578446  0.08066227  0.88811920
   0.62209098  0.44319335  0.62148221
   0.77963691  0.35222123  0.80274885
   0.62369532  0.65451788 -0.00549216
   0.88690420  0.59745035  0.37239705
   0.56224112  0.89219640  0.13435817
   0.81634984  0.83384237  0.24146670
   0.63880921  0.68052687  0.47158537
   0.87441223  0.62697278  0.88971244
   0.62215857  0.91231598  0.61945041
   0.84331272  0.86292284  0.75050297
   0.07602493  0.05762457  0.16889634
   0.33580055  0.18346096  0.27578326
   0.13136411  0.34082019  0.01472300
   0.38505703  0.43718750  0.33055832
   0.53107480  0.33056156  0.18508153
   0.29004261  0.40214024  0.15936682
   0.19054738  0.12835287  0.43104216
  -0.05064200  0.18301266  0.40093538
  -0.00880428 -0.01811679  0.52257091
   0.45778757  0.22481185  0.78793629
   0.05000211  0.24034041  0.57328121
   0.35562946  0.45208279  0.84889367
   0.49468379  0.45223659  0.68994588
   0.23815927  0.32729699  0.69786258
   0.24806613  0.17465615 -0.11795123
   0.00103924  0.11641625  0.96676717
   0.12333992  0.59096130  0.08318277
   0.37214456  0.67903456  0.26809493
   0.12484793  0.85962241  0.03012900
   0.33570894  0.92829045  0.34948667
   0.39919829  0.90655736  0.16371657
   0.15567175  0.81245418  0.22243491
   0.29578149  0.64078575  0.42922070
   0.05035618  0.61489768  0.39716580
   0.15927134  0.47918749  0.54594812
   0.34009806  0.68703380  0.76094344
   0.12526714  0.74430684  0.53454688
   0.37780326  0.97257353  0.79479955
   0.46529534  0.87978196  0.62224196
   0.19313672  0.92522835  0.66549088
   0.28375890  0.68829635 -0.05879898
   0.02710955  0.67839182  0.90423279
   0.61593208  0.04636794  0.11150393
   0.83410823  0.19706276  0.23630733
   0.63568139  0.27871953  0.02248280
   0.82639590  0.44363366  0.36446134
   0.02944658  0.38445094  0.19634938
   0.77515863  0.42670525  0.15790892
   0.69594039  0.17979584  0.39720610
   0.45518896  0.10471154  0.45051193
   0.65632929  0.07027108  0.57640909
   0.86980100  0.21124427  0.81906805
   0.59265396  0.32801487  0.53915508
   0.85736016  0.47098683  0.86631900
   1.00216585  0.47447226  0.69104893
   0.75384697  0.39716548  0.68654550
   0.74297189  0.06314219  0.94320661
   0.47662128  0.08016486  0.96043514
   0.57418910  0.53037787  0.06088932
   0.85426846  0.67283374  0.27148197
   0.56526635  0.79630112  0.04144306
   0.82623363  0.96329913  0.32716189
   0.91873238  0.84761400  0.15602588
   0.65924155  0.82798436  0.21467231
   0.80341162  0.68265193  0.45478466
   0.56063127  0.60301875  0.38436269
   0.64207332  0.59337788  0.57440681
   0.80695407  0.71748067  0.79819029
   0.57404621  0.83139240  0.44422346
   0.92787589  0.95004611  0.82870167
   0.95385331  0.83189589  0.66718312
   0.69433839  0.92244343  0.72581024
   0.78005486  0.65971108  0.98089382
   0.53745701  0.62431356  0.89434316
   0.70949657  0.82961092  0.57078099
   0.51868939  0.84946907  0.38877074
   0.89356089  0.22692908  0.07072377
   0.86856735  0.34974075  0.37614186
   0.36547030  0.12306508  0.63854201
   0.26070597  0.75484520  0.76955598
   0.13839682  1.09597948  0.21910684
   0.22987593  1.08397823  0.04502342
   0.64494096  0.32942443  0.83936297
   0.93730095  0.50103332  0.63812786
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.009478   -0.024295   -0.138268
    -0.000000    9.723361   -0.037264
    -0.000000    0.000000   13.977192
   Si   O    H 
    32    64    10
Direct configuration=  2507
   0.15437447  0.17029136 -0.02447613
   0.33305786  0.09147678  0.37991249
   0.14175371  0.42882385  0.11828588
   0.39115046  0.33603887  0.24328648
   0.04851600  0.13688801  0.48652130
   0.38859720  0.10760460  0.86604115
   0.11052618  0.37419424  0.63355218
   0.38118085  0.36190788  0.74972657
   0.14088288  0.69760034 -0.00721626
   0.41079006  0.59793974  0.35880708
   0.06811452  0.90057432  0.14284219
   0.31388373  0.82656304  0.24808921
   0.16075816  0.61239190  0.47917853
   0.38466797  0.61640180  0.86201234
   0.07220215  0.86598720  0.60291332
   0.35024778  0.98091739  0.67227582
   0.62663770  0.10760537  1.00770730
   0.82261655  0.12673078  0.33840964
   0.63134619  0.40020224  0.10510516
   0.88765668  0.31109051  0.16110562
   0.59592085  0.17153952  0.49221589
   0.88575913  0.08085318  0.88802906
   0.62223213  0.44391688  0.62075225
   0.77815751  0.35312333  0.80255156
   0.62377923  0.65432763 -0.00613849
   0.88869884  0.59767344  0.37200831
   0.56243180  0.89215860  0.13463974
   0.81571520  0.83546462  0.24174380
   0.63879669  0.68094805  0.47264057
   0.87485134  0.62642910  0.88879174
   0.62247493  0.91227632  0.62131638
   0.84493705  0.86351265  0.74989203
   0.07743990  0.05997765  0.16916094
   0.33258149  0.18383203  0.27520029
   0.13195095  0.33983219  0.01317127
   0.38754470  0.43744096  0.33105496
   0.52982068  0.33077191  0.18507868
   0.28949889  0.40019749  0.15928309
   0.19218542  0.12676385  0.43022957
  -0.05095996  0.18325585  0.40017387
  -0.00840524 -0.02005368  0.52159219
   0.45799087  0.22314045  0.78828671
   0.04829294  0.24278413  0.57373146
   0.35508272  0.45292619  0.84923682
   0.49346171  0.45236712  0.69110555
   0.23879102  0.32671538  0.69849688
   0.24758203  0.17560082 -0.11790811
   0.00211448  0.11583965  0.96647553
   0.12509927  0.59151913  0.08285689
   0.37247924  0.67947077  0.26778122
   0.12617251  0.86069237  0.03137675
   0.33646782  0.92954325  0.34945983
   0.39999398  0.90831821  0.16363364
   0.15776759  0.81306360  0.22263794
   0.29713647  0.64309704  0.42951185
   0.05007900  0.61544807  0.39797249
   0.16158811  0.47923453  0.54531464
   0.34156298  0.68677533  0.76053240
   0.12555127  0.74323786  0.53462748
   0.37611907  0.97148874  0.79405605
   0.46482622  0.88013368  0.62362828
   0.19259128  0.92541668  0.66512556
   0.28315645  0.68706638 -0.05863824
   0.02626894  0.67806384  0.90483407
   0.61498332  0.04683310  0.11153349
   0.83324873  0.20046717  0.23573527
   0.63532907  0.27812165  0.02308958
   0.82499159  0.44234311  0.36351178
   0.03005579  0.38522021  0.19630745
   0.77425429  0.42689064  0.15761458
   0.69844593  0.17961814  0.39831562
   0.45558871  0.10509251  0.45121743
   0.65707988  0.07024799  0.57706874
   0.87136884  0.21188253  0.81954370
   0.59419949  0.32804762  0.53910033
   0.85723938  0.46935309  0.86475373
   1.00208327  0.47444868  0.69093995
   0.75210474  0.39660821  0.68761167
   0.74253772  0.06396734  0.94096663
   0.47664270  0.07993364  0.96018261
   0.57350425  0.52965824  0.05969595
   0.85538446  0.67181937  0.27205924
   0.56594171  0.79700308  0.04111705
   0.82653631  0.96328181  0.32736705
   0.91799299  0.84842994  0.15643554
   0.65792314  0.82871975  0.21486112
   0.80376333  0.68331965  0.45320611
   0.56077115  0.60552199  0.38495523
   0.64468760  0.59209886  0.57319742
   0.80739294  0.71931969  0.79901838
   0.57347588  0.83182144  0.44353013
   0.92839356  0.94904442  0.82885303
   0.95469560  0.83319746  0.66915276
   0.69375328  0.91989307  0.72596354
   0.77852976  0.65965490  0.98104081
   0.53775996  0.62470711  0.89598025
   0.70686990  0.82346391  0.56684724
   0.52015263  0.84969297  0.38745505
   0.89821877  0.23200602  0.06779681
   0.86773289  0.34903694  0.37601022
   0.36231120  0.11715048  0.63973568
   0.25213430  0.75371074  0.76906970
   0.13841450  1.09532014  0.21673794
   0.22999413  1.08050316  0.04638754
   0.64312204  0.32634477  0.84175539
   0.93550387  0.49758210  0.64558591
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.007633   -0.025944   -0.139034
    -0.000000    9.724322   -0.038451
    -0.000000    0.000000   13.976921
   Si   O    H 
    32    64    10
Direct configuration=  2508
   0.15528519  0.17160569 -0.02330998
   0.33248126  0.09160605  0.37881511
   0.14201761  0.42832563  0.11804685
   0.39102484  0.33661563  0.24305346
   0.04846434  0.13683977  0.48676199
   0.38897953  0.10837873  0.86603071
   0.11033613  0.37419779  0.63305914
   0.38244539  0.36236966  0.74956253
   0.14230284  0.69903215 -0.00741599
   0.41146983  0.59788371  0.35888033
   0.06878894  0.90185591  0.14410561
   0.31283106  0.82776142  0.24732546
   0.16037717  0.61196806  0.47845183
   0.38446566  0.61618780  0.86236586
   0.07231001  0.86536596  0.60196164
   0.34890314  0.98226395  0.67298356
   0.62676736  0.10785323  1.00833861
   0.82175223  0.12703316  0.33894353
   0.63138466  0.39971708  0.10542151
   0.88848288  0.31134337  0.16126831
   0.59454595  0.17109131  0.49276385
   0.88589662  0.08120101  0.88819092
   0.62215556  0.44447521  0.62001762
   0.77612724  0.35323136  0.80228216
   0.62286985  0.65430007 -0.00632179
   0.89018443  0.59748135  0.37157159
   0.56212260  0.89176988  0.13531021
   0.81519035  0.83703727  0.24230055
   0.63887361  0.68128907  0.47334225
   0.87494166  0.62617269  0.88760833
   0.62222085  0.91248974  0.62272536
   0.84630388  0.86426729  0.74927507
   0.07862133  0.06184296  0.16928001
   0.32955321  0.18398467  0.27520992
   0.13319128  0.33785373  0.01160579
   0.39079943  0.43797610  0.33209666
   0.52915590  0.33090269  0.18556164
   0.28896952  0.39761490  0.15932203
   0.19288743  0.12504146  0.42972350
  -0.05090377  0.18413709  0.39945972
  -0.00739552 -0.02098745  0.52065059
   0.45805966  0.22186191  0.78910715
   0.04706012  0.24514604  0.57448914
   0.35338852  0.45293639  0.84929993
   0.49156763  0.45147410  0.69203097
   0.23930085  0.32647670  0.69900304
   0.24678762  0.17562110 -0.11781840
   0.00323286  0.11540302  0.96660968
   0.12712978  0.59218029  0.08263195
   0.37319985  0.67963753  0.26711566
   0.12765981  0.86160548  0.03305158
   0.33769222  0.92959263  0.34906136
   0.40072700  0.90871313  0.16382299
   0.15921244  0.81347157  0.22226289
   0.29857078  0.64545342  0.43041461
   0.04925623  0.61569142  0.39830569
   0.16348269  0.47820545  0.54479163
   0.34259544  0.68736262  0.76020530
   0.12676369  0.74304257  0.53536027
   0.37461753  0.97109319  0.79382289
   0.46491713  0.87983217  0.62521956
   0.19249819  0.92635096  0.66503144
   0.28289041  0.68653845 -0.05809810
   0.02492674  0.67722925  0.90571243
   0.61365419  0.04682338  0.11163397
   0.83323257  0.20361360  0.23497398
   0.63605546  0.27808106  0.02372609
   0.82355329  0.44085892  0.36299329
   0.03172079  0.38590652  0.19610677
   0.77327029  0.42645299  0.15744656
   0.70013984  0.17947431  0.39981798
   0.45607407  0.10545006  0.45179293
   0.65818080  0.06973925  0.57769547
   0.87201453  0.21262876  0.82012483
   0.59486832  0.32760697  0.53868714
   0.85697416  0.46789223  0.86300807
   1.00327292  0.47342994  0.69124544
   0.75019584  0.39663367  0.68912744
   0.74231601  0.06511726  0.93942484
   0.47597862  0.07933690  0.95934836
   0.57317518  0.52945195  0.05845237
   0.85673462  0.67144782  0.27284797
   0.56661224  0.79681105  0.04100859
   0.82693790  0.96291019  0.32750612
   0.91793199  0.84918507  0.15713509
   0.65700511  0.82965765  0.21585985
   0.80392462  0.68356766  0.45230268
   0.56148089  0.60771746  0.38525084
   0.64624995  0.59113777  0.57232445
   0.80787680  0.72009192  0.80045880
   0.57374355  0.83246814  0.44295904
   0.92941460  0.94796693  0.82953039
   0.95499253  0.83422923  0.67050369
   0.69371180  0.91710718  0.72604750
   0.77750489  0.65960826  0.98107788
   0.53719918  0.62526351  0.89740722
   0.70612827  0.81397945  0.56394067
   0.51974524  0.84919167  0.38586666
   0.90130248  0.24215853  0.06629101
   0.86752536  0.35595300  0.37438206
   0.36160355  0.11773524  0.63978374
   0.25501962  0.74045162  0.76829070
   0.13957335  1.09608297  0.21399017
   0.22670325  1.08198353  0.04540406
   0.64526955  0.32795176  0.84280449
   0.93136186  0.49276664  0.64927501
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.006145   -0.027748   -0.139641
    -0.000000    9.724861   -0.040010
    -0.000000    0.000000   13.977153
   Si   O    H 
    32    64    10
Direct configuration=  2509
   0.15656105  0.17350236 -0.02212004
   0.33171793  0.09188712  0.37727657
   0.14194199  0.42814766  0.11733047
   0.39045252  0.33692161  0.24263768
   0.04806893  0.13645330  0.48688082
   0.38948653  0.10863422  0.86560379
   0.11052835  0.37370985  0.63206749
   0.38325779  0.36186137  0.74976618
   0.14313004  0.70065213 -0.00784127
   0.41187423  0.59733550  0.35877508
   0.07018183  0.90266426  0.14527002
   0.31219429  0.82890161  0.24642602
   0.16007001  0.61182776  0.47736792
   0.38369235  0.61605502  0.86287372
   0.07236979  0.86447894  0.60138606
   0.34747398  0.98331025  0.67383101
   0.62633503  0.10826045  1.00858930
   0.82180764  0.12743701  0.33930469
   0.63087994  0.39852953  0.10524563
   0.88964844  0.31185218  0.16171736
   0.59300578  0.17121361  0.49336260
   0.88541789  0.08122951  0.88816456
   0.62190040  0.44524072  0.61945158
   0.77409325  0.35339644  0.80222610
   0.62157230  0.65386785 -0.00648535
   0.89137103  0.59789915  0.37157092
   0.56135897  0.89154854  0.13656535
   0.81521113  0.83812377  0.24324385
   0.63957288  0.68163821  0.47385079
   0.87513358  0.62608815  0.88677590
   0.62221966  0.91302923  0.62385448
   0.84759395  0.86553488  0.74868119
   0.07946548  0.06362215  0.16939098
   0.32640840  0.18414140  0.27522753
   0.13411951  0.33553860  0.01056532
   0.39354551  0.43815700  0.33262090
   0.52828039  0.33078669  0.18645861
   0.28875087  0.39560493  0.15955446
   0.19369054  0.12417061  0.42887171
  -0.05070272  0.18577726  0.39911492
  -0.00580496 -0.02137951  0.51916618
   0.45884893  0.21985065  0.79019910
   0.04567822  0.24696199  0.57525118
   0.35179960  0.45343362  0.84913103
   0.49016851  0.45054855  0.69254802
   0.23984605  0.32639413  0.69912089
   0.24558629  0.17592361 -0.11822940
   0.00399138  0.11583131  0.96607708
   0.12857384  0.59251182  0.08245109
   0.37438173  0.68048588  0.26611881
   0.12897445  0.86263482  0.03445504
   0.33878266  0.92892196  0.34832294
   0.40235289  0.90891678  0.16412997
   0.15948312  0.81395597  0.22191743
   0.30062237  0.64717512  0.43151325
   0.04764294  0.61586422  0.39842564
   0.16547645  0.47631775  0.54449314
   0.34297927  0.68726778  0.76021046
   0.12728249  0.74378356  0.53631049
   0.37349717  0.97096780  0.79378623
   0.46528353  0.87925986  0.62698666
   0.19239062  0.92709865  0.66521844
   0.28294896  0.68651410 -0.05750630
   0.02380454  0.67591048  0.90720075
   0.61271003  0.04640295  0.11251101
   0.83321706  0.20562803  0.23513096
   0.63818192  0.27808378  0.02419050
   0.82255453  0.44064961  0.36301308
   0.03293934  0.38641002  0.19609055
   0.77216311  0.42691659  0.15686735
   0.70044916  0.18005461  0.40175291
   0.45617515  0.10630688  0.45247306
   0.65963156  0.06980506  0.57787691
   0.87158981  0.21413897  0.81972502
   0.59450743  0.32720873  0.53818214
   0.85678816  0.46613121  0.86155241
   1.00479462  0.47254378  0.69166591
   0.74826614  0.39561392  0.68995423
   0.74248408  0.06597584  0.93856681
   0.47501232  0.07873680  0.95887067
   0.57271879  0.53012797  0.05652111
   0.85670506  0.67145697  0.27296306
   0.56725186  0.79689061  0.04032412
   0.82701409  0.96249654  0.32754903
   0.91754554  0.84979374  0.15754474
   0.65554610  0.83035572  0.21703640
   0.80326137  0.68417530  0.45112070
   0.56248301  0.60902470  0.38575742
   0.64736873  0.59047490  0.57088572
   0.80847183  0.72033439  0.80173984
   0.57441560  0.83392454  0.44309074
   0.93042996  0.94684664  0.83009111
   0.95457766  0.83480798  0.67122446
   0.69439605  0.91517944  0.72575231
   0.77665545  0.65989440  0.98108822
   0.53666373  0.62526013  0.89819902
   0.70159634  0.80863157  0.56269973
   0.52293353  0.85083359  0.38252497
   0.90475299  0.25340410  0.06353171
   0.87370906  0.35935529  0.37606715
   0.36150998  0.12507929  0.63734691
   0.26911982  0.72109265  0.76562038
   0.14707635  1.10020512  0.21636954
   0.22305310  1.08549285  0.04471471
   0.64265385  0.33169828  0.84201556
   0.92130843  0.49068660  0.64919580
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.005160   -0.029825   -0.140372
    -0.000000    9.725548   -0.041311
    -0.000000    0.000000   13.977320
   Si   O    H 
    32    64    10
Direct configuration=  2510
   0.15783525  0.17501714 -0.02095539
   0.33118074  0.09134600  0.37585585
   0.14188310  0.42806041  0.11680416
   0.38955649  0.33706024  0.24195964
   0.04862169  0.13597215  0.48665075
   0.38989992  0.10918814  0.86510898
   0.11059908  0.37386609  0.63124752
   0.38421269  0.36169868  0.75043686
   0.14372786  0.70128430 -0.00804588
   0.41184949  0.59674607  0.35881171
   0.07112620  0.90340752  0.14641449
   0.31200975  0.83061114  0.24547488
   0.16016959  0.61176007  0.47622781
   0.38299732  0.61578845  0.86359478
   0.07242419  0.86400341  0.60113432
   0.34572362  0.98455034  0.67496341
   0.62580834  0.10906384  1.00895962
   0.82241532  0.12772708  0.33902658
   0.62975013  0.39665325  0.10551371
   0.89091800  0.31205253  0.16184577
   0.59204492  0.17148879  0.49402063
   0.88535894  0.08188815  0.88771576
   0.62180764  0.44635615  0.61920581
   0.77205016  0.35343128  0.80242295
   0.62019884  0.65379566 -0.00663797
   0.89173205  0.59842725  0.37170045
   0.56042841  0.89196606  0.13720979
   0.81526686  0.83900695  0.24439278
   0.64028485  0.68243737  0.47384976
   0.87485886  0.62564425  0.88634288
   0.62259901  0.91325913  0.62455166
   0.84859519  0.86636905  0.74844418
   0.07927484  0.06559274  0.16952375
   0.32304473  0.18507808  0.27579921
   0.13473590  0.33372006  0.01034056
   0.39554495  0.43746812  0.33337281
   0.52758069  0.33088371  0.18685047
   0.28821629  0.39376205  0.15987448
   0.19418596  0.12316773  0.42789878
  -0.04971547  0.18678809  0.39909290
  -0.00381252 -0.02189646  0.51769200
   0.45916413  0.21839114  0.79059873
   0.04468724  0.24872108  0.57601330
   0.35047012  0.45319851  0.84917033
   0.48937282  0.44943841  0.69265046
   0.23933182  0.32650497  0.69886756
   0.24447319  0.17522660 -0.11850685
   0.00449577  0.11539091  0.96591192
   0.13090035  0.59277822  0.08166734
   0.37576679  0.68140477  0.26518326
   0.12990796  0.86290459  0.03586516
   0.33951070  0.92815041  0.34744554
   0.40400992  0.90824723  0.16489825
   0.15967983  0.81471749  0.22157763
   0.30307101  0.64905799  0.43292280
   0.04599471  0.61587168  0.39814892
   0.16662877  0.47452652  0.54461111
   0.34540858  0.68536642  0.76001902
   0.12764329  0.74503756  0.53752617
   0.37328656  0.97134133  0.79408077
   0.46406888  0.87939068  0.62892555
   0.19214761  0.92851968  0.66485729
   0.28197119  0.68648319 -0.05684518
   0.02291140  0.67440209  0.90870194
   0.61194156  0.04615562  0.11353465
   0.83311334  0.20616494  0.23535279
   0.63939194  0.27809909  0.02384780
   0.82135032  0.44145027  0.36291733
   0.03346927  0.38771350  0.19566337
   0.77174407  0.42702193  0.15635827
   0.70089238  0.18071424  0.40368281
   0.45678058  0.10725416  0.45287642
   0.66052305  0.07010116  0.57800117
   0.87131044  0.21547311  0.81879334
   0.59460576  0.32687531  0.53715744
   0.85745449  0.46508786  0.85987710
   1.00591031  0.47033004  0.69212447
   0.74689836  0.39569846  0.69019550
   0.74274061  0.06644231  0.93777039
   0.47424840  0.07839757  0.95888267
   0.57081912  0.53009399  0.05463466
   0.85643398  0.67310933  0.27266321
   0.56811194  0.79720747  0.03916811
   0.82680911  0.96130059  0.32702225
   0.91736805  0.85040328  0.15811301
   0.65470116  0.83130889  0.21790165
   0.80275494  0.68442692  0.45008302
   0.56391384  0.61047455  0.38689865
   0.64837147  0.58923028  0.56923346
   0.80829714  0.72047389  0.80285844
   0.57463372  0.83627834  0.44296217
   0.93139116  0.94548732  0.83067997
   0.95391077  0.83522225  0.67131360
   0.69567046  0.91411031  0.72556501
   0.77649865  0.66055863  0.98078346
   0.53651016  0.62551901  0.89860286
   0.69600303  0.80740279  0.56529489
   0.52792838  0.85073369  0.38186764
   0.91026452  0.26234068  0.06270451
   0.88365289  0.36273464  0.37609833
   0.36237501  0.12874308  0.63476954
   0.24101586  0.72548979  0.76466699
   0.15028200  1.10160449  0.21354267
   0.21945175  1.08462225  0.04713297
   0.64182484  0.33453404  0.84214009
   0.91896770  0.48816663  0.65499619
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.004027   -0.032583   -0.140845
    -0.000000    9.726210   -0.043009
    -0.000000    0.000000   13.977337
   Si   O    H 
    32    64    10
Direct configuration=  2511
   0.15861906  0.17638064 -0.01981913
   0.33053193  0.09119080  0.37464568
   0.14212581  0.42777707  0.11691904
   0.38903712  0.33709393  0.24088822
   0.04931341  0.13440066  0.48663848
   0.39021195  0.10909084  0.86462979
   0.11107893  0.37379325  0.63091172
   0.38494554  0.36128165  0.75107999
   0.14356201  0.70131023 -0.00794469
   0.41177764  0.59620624  0.35844260
   0.07159355  0.90406807  0.14673364
   0.31251250  0.83227105  0.24503037
   0.16023334  0.61192431  0.47547782
   0.38234815  0.61561963  0.86409815
   0.07286870  0.86435068  0.60071242
   0.34375980  0.98557893  0.67586512
   0.62473633  0.10995029  1.00915757
   0.82315314  0.12739283  0.33887311
   0.62884168  0.39427489  0.10586281
   0.89219594  0.31250078  0.16169669
   0.59142401  0.17229619  0.49444058
   0.88526231  0.08253733  0.88705374
   0.62180222  0.44673176  0.61910858
   0.77071040  0.35354260  0.80288056
   0.61908347  0.65427815 -0.00701557
   0.89141177  0.59833893  0.37178753
   0.55952751  0.89173144  0.13773255
   0.81516824  0.83964588  0.24552266
   0.64197851  0.68337340  0.47329453
   0.87419927  0.62555126  0.88584083
   0.62299485  0.91425625  0.62493947
   0.84912707  0.86699481  0.74815722
   0.07950036  0.06738842  0.17014966
   0.32052995  0.18700971  0.27648777
   0.13448832  0.33220928  0.01029300
   0.39767934  0.43682504  0.33367174
   0.52761702  0.33041721  0.18778128
   0.28745642  0.39182146  0.16019443
   0.19396931  0.12290726  0.42734031
  -0.04935537  0.18749014  0.39933972
  -0.00114426 -0.02234126  0.51636536
   0.45909615  0.21707338  0.79044262
   0.04337593  0.24900077  0.57629207
   0.34857581  0.45294161  0.84923871
   0.48899135  0.44836205  0.69252805
   0.23861197  0.32746136  0.69824536
   0.24315817  0.17478555 -0.11891339
   0.00433990  0.11466124  0.96537501
   0.13229035  0.59308826  0.08160159
   0.37710965  0.68272696  0.26462606
   0.13037021  0.86287636  0.03707610
   0.34076502  0.92793643  0.34631197
   0.40588210  0.90754003  0.16579326
   0.15925240  0.81588269  0.22158703
   0.30482660  0.65088258  0.43438521
   0.04438562  0.61517401  0.39710397
   0.16826193  0.47286284  0.54511604
   0.34676718  0.68407460  0.75953728
   0.12754374  0.74541722  0.53914795
   0.37277721  0.97199069  0.79390412
   0.46191867  0.87913010  0.63081283
   0.19192807  0.92964318  0.66431870
   0.28123769  0.68617404 -0.05679670
   0.02229191  0.67385541  0.91044662
   0.61155377  0.04605647  0.11397483
   0.83310469  0.20586493  0.23570850
   0.64014934  0.27785911  0.02349981
   0.82148689  0.44163659  0.36315997
   0.03347897  0.38822567  0.19570349
   0.77122269  0.42739949  0.15560231
   0.70070599  0.18064797  0.40524857
   0.45667372  0.10797658  0.45308807
   0.66082138  0.06951221  0.57756588
   0.87111358  0.21769355  0.81823781
   0.59509031  0.32661695  0.53644165
   0.85827665  0.46431812  0.85861883
   1.00689676  0.46784613  0.69294975
   0.74621453  0.39561916  0.69086453
   0.74250381  0.06709270  0.93747108
   0.47383757  0.07781370  0.95905370
   0.56911675  0.52980365  0.05295835
   0.85540542  0.67524046  0.27249508
   0.56817877  0.79822890  0.03821062
   0.82619157  0.96056194  0.32587491
   0.91717315  0.85193592  0.15810637
   0.65382313  0.83128578  0.21849754
   0.80177857  0.68487630  0.44945686
   0.56506784  0.61077416  0.38768710
   0.64822707  0.58836717  0.56764164
   0.80837722  0.72085601  0.80372172
   0.57475096  0.83864593  0.44348084
   0.93229011  0.94397773  0.83171110
   0.95399345  0.83467101  0.67088206
   0.69719303  0.91477157  0.72585334
   0.77688378  0.66112565  0.98071765
   0.53549339  0.62553936  0.89831783
   0.68881323  0.81068102  0.56788475
   0.53327920  0.84919370  0.38147088
   0.91491627  0.26981008  0.06146052
   0.89259214  0.36694757  0.37581198
   0.36084399  0.13005847  0.63491589
   0.23054829  0.72658541  0.76430572
   0.15248822  1.10194427  0.20997915
   0.22032702  1.08089782  0.04940116
   0.63742850  0.33536177  0.84259639
   0.92393521  0.48658938  0.66179271
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.002124   -0.035392   -0.141562
    -0.000000    9.726848   -0.044392
    -0.000000    0.000000   13.977345
   Si   O    H 
    32    64    10
Direct configuration=  2512
   0.15948142  0.17795857 -0.01842519
   0.33036330  0.09119947  0.37343734
   0.14271714  0.42714813  0.11643108
   0.38864384  0.33687047  0.23983258
   0.04948603  0.13261541  0.48658253
   0.39037712  0.10899963  0.86383068
   0.11220136  0.37404472  0.63073768
   0.38527603  0.36052567  0.75164222
   0.14323631  0.70119655 -0.00765875
   0.41163461  0.59606192  0.35796698
   0.07238583  0.90451047  0.14680720
   0.31339710  0.83425391  0.24501568
   0.16053027  0.61178791  0.47477678
   0.38151706  0.61496244  0.86445676
   0.07285261  0.86471647  0.59963023
   0.34185503  0.98631519  0.67664152
   0.62351326  0.11136157  1.00892469
   0.82391307  0.12693112  0.33897323
   0.62769594  0.39191481  0.10635899
   0.89259220  0.31306736  0.16134565
   0.59099353  0.17294418  0.49461767
   0.88554476  0.08360326  0.88655952
   0.62194414  0.44672545  0.61891576
   0.76985507  0.35349949  0.80337141
   0.61802755  0.65528208 -0.00752107
   0.89029495  0.59850331  0.37145567
   0.55862126  0.89175625  0.13808758
   0.81490736  0.84001614  0.24686287
   0.64374871  0.68440684  0.47320805
   0.87310741  0.62558883  0.88531257
   0.62335212  0.91627670  0.62525347
   0.84912819  0.86749589  0.74791476
   0.07967876  0.06912634  0.17047701
   0.31888329  0.18856905  0.27756781
   0.13410014  0.33173946  0.01070646
   0.39981969  0.43526208  0.33414115
   0.52703112  0.33017542  0.18859967
   0.28723133  0.39042010  0.16042087
   0.19317781  0.12278948  0.42756739
  -0.04882160  0.18854231  0.39990711
   0.00151802 -0.02352550  0.51483000
   0.45942876  0.21577845  0.79074489
   0.04233227  0.24851896  0.57602558
   0.34678123  0.45283115  0.84898480
   0.48910952  0.44750999  0.69265263
   0.23845143  0.32786435  0.69741788
   0.24244811  0.17451624 -0.12000660
   0.00519608  0.11403831  0.96446248
   0.13401921  0.59347300  0.08184655
   0.37824403  0.68344592  0.26426093
   0.13083616  0.86217270  0.03834096
   0.34156483  0.92855538  0.34533701
   0.40754548  0.90656581  0.16651532
   0.15960808  0.81691182  0.22171980
   0.30545306  0.65325122  0.43620017
   0.04404622  0.61488514  0.39637399
   0.17045441  0.47257082  0.54544804
   0.34672387  0.68264835  0.75831484
   0.12772090  0.74631924  0.54066091
   0.37216489  0.97238104  0.79394572
   0.45978258  0.87852682  0.63261764
   0.19184193  0.92994529  0.66310497
   0.28116370  0.68540866 -0.05649919
   0.02196210  0.67375656  0.91249223
   0.61143257  0.04647757  0.11488879
   0.83276190  0.20466606  0.23566718
   0.64062125  0.27733696  0.02259292
   0.82277289  0.44096734  0.36375740
   0.03344858  0.38876815  0.19548943
   0.77071461  0.42736138  0.15516350
   0.70014976  0.18018319  0.40658071
   0.45638421  0.10848794  0.45329736
   0.66135158  0.06782282  0.57720316
   0.87007859  0.21975556  0.81732437
   0.59551607  0.32644500  0.53615244
   0.85951643  0.46425786  0.85803214
   1.00898131  0.46484799  0.69426828
   0.74539315  0.39512983  0.69133079
   0.74233206  0.06720214  0.93741768
   0.47489482  0.07730290  0.95920848
   0.56704239  0.52937216  0.05212184
   0.85407874  0.67743009  0.27209707
   0.56859465  0.79894407  0.03759707
   0.82501036  0.95989787  0.32482251
   0.91739784  0.85389308  0.15814766
   0.65282111  0.83080311  0.21869650
   0.80086076  0.68589203  0.44912101
   0.56578647  0.61036773  0.38739023
   0.64796789  0.58786026  0.56666501
   0.80818441  0.72065041  0.80454005
   0.57490375  0.84134834  0.44420152
   0.93353388  0.94386968  0.83269261
   0.95441490  0.83334703  0.66984928
   0.69803777  0.91549287  0.72681799
   0.77609141  0.66190796  0.98041531
   0.53469359  0.62567971  0.89777726
   0.68692625  0.81442416  0.57157525
   0.53576036  0.84622563  0.38143441
   0.92051065  0.27714586  0.06189936
   0.89359267  0.37533336  0.37395287
   0.36231702  0.12843842  0.63603739
   0.23515457  0.72434742  0.76354632
   0.15490423  1.10550631  0.20647813
   0.22100434  1.08349755  0.05063033
   0.63440478  0.33681321  0.84515443
   0.92587377  0.48411566  0.66939030
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.000160   -0.038227   -0.142671
    -0.000000    9.727342   -0.046002
    -0.000000    0.000000   13.977205
   Si   O    H 
    32    64    10
Direct configuration=  2513
   0.16037319  0.17880930 -0.01777065
   0.33040824  0.09121420  0.37249478
   0.14332641  0.42710143  0.11531873
   0.38768724  0.33653716  0.23892277
   0.04961285  0.13104726  0.48659607
   0.39067526  0.10889332  0.86296894
   0.11310890  0.37439942  0.63067254
   0.38502659  0.35898641  0.75217478
   0.14343224  0.70146345 -0.00700949
   0.41136176  0.59648786  0.35777619
   0.07289974  0.90498562  0.14685029
   0.31413195  0.83602564  0.24549437
   0.16136346  0.61205637  0.47410639
   0.38051075  0.61414919  0.86470791
   0.07261948  0.86563764  0.59854847
   0.34023667  0.98725235  0.67745666
   0.62293531  0.11266246  1.00838157
   0.82431724  0.12647998  0.33943517
   0.62600307  0.38981865  0.10625155
   0.89345300  0.31415727  0.16122206
   0.59088886  0.17327280  0.49469657
   0.88590011  0.08499369  0.88614179
   0.62247997  0.44699795  0.61891961
   0.76873375  0.35342498  0.80365969
   0.61666161  0.65616932 -0.00810226
   0.88856479  0.59875112  0.37113458
   0.55853162  0.89183473  0.13792793
   0.81445084  0.83968934  0.24807314
   0.64536549  0.68563028  0.47309480
   0.87169757  0.62537076  0.88496521
   0.62414437  0.91822634  0.62527891
   0.84942301  0.86747910  0.74800530
   0.07934680  0.07071207  0.17065837
   0.31818774  0.18910247  0.27839664
   0.13370999  0.33180296  0.01190302
   0.40244353  0.43360065  0.33453542
   0.52688160  0.32983689  0.18931598
   0.28795541  0.38934757  0.16066562
   0.19211272  0.12258638  0.42770372
  -0.04878795  0.19004054  0.40006507
   0.00346806 -0.02436126  0.51353803
   0.45981606  0.21546520  0.79142323
   0.04200980  0.24764090  0.57553178
   0.34585515  0.45245928  0.84905263
   0.48981773  0.44730125  0.69284319
   0.23920877  0.32921258  0.69673917
   0.24129470  0.17421120 -0.12112784
   0.00575059  0.11278288  0.96396418
   0.13499502  0.59303945  0.08175809
   0.37860738  0.68419210  0.26397230
   0.13141317  0.86110890  0.03940293
   0.34165031  0.92854716  0.34361576
   0.40849893  0.90574326  0.16708671
   0.15939081  0.81774185  0.22221877
   0.30614505  0.65564322  0.43753138
   0.04471799  0.61442359  0.39587023
   0.17233552  0.47361815  0.54513434
   0.34602553  0.68143729  0.75721630
   0.12758337  0.74610306  0.54224111
   0.37128738  0.97381494  0.79433760
   0.45808686  0.87899712  0.63424896
   0.19265229  0.93075338  0.66243999
   0.28170303  0.68350626 -0.05648561
   0.02232639  0.67412108  0.91437763
   0.61172286  0.04738506  0.11550797
   0.83276102  0.20347511  0.23560608
   0.64071219  0.27566758  0.02190858
   0.82465484  0.43981427  0.36473624
   0.03400660  0.38892034  0.19522040
   0.77059209  0.42759574  0.15448074
   0.69949634  0.17917569  0.40833755
   0.45581965  0.10859732  0.45315488
   0.66059502  0.06617873  0.57605775
   0.87019409  0.22193137  0.81656024
   0.59574053  0.32690501  0.53613624
   0.86135907  0.46558331  0.85793641
   1.01173504  0.46118108  0.69582203
   0.74437964  0.39453537  0.69150798
   0.74267244  0.06772534  0.93755906
   0.47556533  0.07664325  0.95916007
   0.56493123  0.52765236  0.05162187
   0.85305088  0.67897651  0.27188272
   0.56890734  0.79992386  0.03701575
   0.82385603  0.95975045  0.32341857
   0.91710650  0.85675685  0.15800890
   0.65217810  0.82967550  0.21886444
   0.79987617  0.68583699  0.44887764
   0.56678482  0.60969400  0.38717371
   0.64783192  0.58799421  0.56597589
   0.80817929  0.72210870  0.80475250
   0.57527173  0.84337257  0.44534045
   0.93425940  0.94368775  0.83333798
   0.95437604  0.83150369  0.66817760
   0.69904189  0.91675056  0.72732162
   0.77531788  0.66281444  0.98042823
   0.53377614  0.62505821  0.89749315
   0.69042782  0.81856847  0.57490399
   0.53715247  0.84274600  0.38006050
   0.92351718  0.28481867  0.06171148
   0.89954252  0.38037134  0.37419012
   0.36496487  0.12743173  0.63666894
   0.25576419  0.71681926  0.76209135
   0.15663511  1.10895055  0.20304908
   0.22495505  1.08727041  0.05139201
   0.63545241  0.33953035  0.84685121
   0.91682780  0.48451843  0.67017243
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.998094   -0.041368   -0.143840
    -0.000000    9.727687   -0.047384
    -0.000000    0.000000   13.977387
   Si   O    H 
    32    64    10
Direct configuration=  2514
   0.16112000  0.17933654 -0.01742967
   0.33014967  0.09144595  0.37217594
   0.14346467  0.42663971  0.11429155
   0.38694031  0.33605570  0.23828006
   0.04984690  0.12931062  0.48665122
   0.39057330  0.10935601  0.86215155
   0.11409278  0.37459280  0.63037208
   0.38443356  0.35706150  0.75295449
   0.14305514  0.70162778 -0.00658992
   0.41052833  0.59725633  0.35793310
   0.07328792  0.90541385  0.14688030
   0.31475034  0.83740073  0.24593958
   0.16190133  0.61224974  0.47352288
   0.37933846  0.61320293  0.86487419
   0.07206818  0.86682598  0.59776133
   0.33966395  0.98764258  0.67797511
   0.62171620  0.11390126  1.00820090
   0.82483925  0.12602023  0.33985194
   0.62466707  0.38778841  0.10665141
   0.89412159  0.31532104  0.16103143
   0.59156290  0.17338083  0.49480469
   0.88656360  0.08677262  0.88551907
   0.62233777  0.44649185  0.61884179
   0.76803698  0.35300820  0.80393186
   0.61631019  0.65713072 -0.00840570
   0.88614951  0.59905234  0.37084052
   0.55860647  0.89173051  0.13747270
   0.81447614  0.83852168  0.24929494
   0.64667555  0.68692201  0.47291808
   0.87085515  0.62548928  0.88504775
   0.62468715  0.92019011  0.62502834
   0.84894191  0.86699843  0.74839186
   0.07898365  0.07281508  0.17119039
   0.31739268  0.18938997  0.27946766
   0.13323364  0.33269149  0.01360050
   0.40331460  0.43207651  0.33500939
   0.52747566  0.32929898  0.19010925
   0.28810013  0.38845866  0.16121888
   0.19028902  0.12285915  0.42825450
  -0.04786616  0.19192404  0.40003890
   0.00519261 -0.02551034  0.51260837
   0.46082643  0.21576779  0.79150750
   0.04264002  0.24579801  0.57502934
   0.34545868  0.45251379  0.84926503
   0.49081788  0.44774934  0.69296912
   0.24098945  0.33099619  0.69631963
   0.24016222  0.17344342 -0.12212096
   0.00577341  0.11138881  0.96353988
   0.13649512  0.59253882  0.08196383
   0.37851159  0.68479111  0.26367104
   0.13212020  0.86001424  0.04008799
   0.34141253  0.92829707  0.34218907
   0.40890064  0.90553213  0.16814033
   0.15924166  0.81834020  0.22299732
   0.30677701  0.65789259  0.43890179
   0.04475596  0.61380035  0.39573570
   0.17421982  0.47446764  0.54486373
   0.34505119  0.67971002  0.75625826
   0.12828366  0.74508425  0.54338101
   0.37034344  0.97475754  0.79488601
   0.45597919  0.87953154  0.63555615
   0.19280014  0.93215055  0.66150637
   0.28247303  0.68112208 -0.05751450
   0.02293291  0.67415742  0.91598583
   0.61071073  0.04836915  0.11620127
   0.83297511  0.20245869  0.23520177
   0.64089358  0.27462797  0.02137190
   0.82631874  0.43928998  0.36592296
   0.03391376  0.38893511  0.19496473
   0.76965395  0.42689859  0.15405378
   0.69883477  0.17872292  0.41042107
   0.45470953  0.10872619  0.45261988
   0.65966682  0.06460417  0.57477707
   0.87028341  0.22405006  0.81606561
   0.59567286  0.32837696  0.53663914
   0.86361808  0.46821244  0.85799729
   1.01281542  0.45814594  0.69711050
   0.74287937  0.39358077  0.69125964
   0.74286055  0.06775233  0.93819973
   0.47650466  0.07648642  0.95937768
   0.56303656  0.52601544  0.05135317
   0.85283755  0.68032069  0.27204245
   0.56915091  0.80170627  0.03662819
   0.82266608  0.96018100  0.32221114
   0.91758659  0.85979268  0.15809831
   0.65237751  0.82861108  0.21872853
   0.79942569  0.68586826  0.44864607
   0.56766758  0.60873414  0.38756852
   0.64702322  0.58810865  0.56519433
   0.80871766  0.72371635  0.80481941
   0.57584157  0.84476541  0.44666125
   0.93383894  0.94382881  0.83394124
   0.95422891  0.83007112  0.66660844
   0.69991272  0.91925960  0.72773292
   0.77407357  0.66395326  0.98019281
   0.53299383  0.62473252  0.89738255
   0.69666970  0.81646784  0.57865220
   0.53907421  0.84102363  0.38020712
   0.92752473  0.28533890  0.06315214
   0.90695344  0.38217124  0.37188454
   0.36716652  0.12764848  0.63755673
   0.27016598  0.71351090  0.75975559
   0.16207547  1.11642855  0.20130658
   0.22998387  1.09207097  0.05031993
   0.63660401  0.34412799  0.84902347
   0.92047603  0.48296882  0.67391548
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.996221   -0.044284   -0.145551
    -0.000000    9.728209   -0.048707
    -0.000000    0.000000   13.977622
   Si   O    H 
    32    64    10
Direct configuration=  2515
   0.16157066  0.17966101 -0.01756522
   0.33058724  0.09135500  0.37216048
   0.14372208  0.42669684  0.11327921
   0.38589906  0.33561900  0.23756659
   0.05089682  0.12845280  0.48674198
   0.39000467  0.10957837  0.86122243
   0.11555815  0.37528222  0.63003562
   0.38395127  0.35524268  0.75395945
   0.14230298  0.70245357 -0.00604844
   0.40911535  0.59739372  0.35827904
   0.07310091  0.90569980  0.14674121
   0.31535314  0.83866335  0.24649608
   0.16219457  0.61209329  0.47338449
   0.37860427  0.61246711  0.86475711
   0.07124785  0.86800051  0.59693744
   0.33899499  0.98802175  0.67850802
   0.62088492  0.11448602  1.00756768
   0.82463103  0.12615001  0.34028244
   0.62329957  0.38577935  0.10700336
   0.89477180  0.31666676  0.16089843
   0.59227530  0.17279999  0.49518342
   0.88736611  0.08833146  0.88535680
   0.62203768  0.44609550  0.61872590
   0.76756729  0.35259303  0.80389384
   0.61558858  0.65827561 -0.00874429
   0.88398195  0.60015081  0.37041869
   0.55901337  0.89124031  0.13664682
   0.81477378  0.83806510  0.24917109
   0.64739115  0.68823050  0.47248275
   0.87027484  0.62607632  0.88546772
   0.62558887  0.92160531  0.62526418
   0.84878331  0.86552772  0.74892601
   0.07888838  0.07517356  0.17165359
   0.31753402  0.19004587  0.28014680
   0.13256125  0.33342534  0.01552088
   0.40397218  0.43097202  0.33534945
   0.52750586  0.32849057  0.19047660
   0.28782128  0.38848823  0.16121956
   0.18888073  0.12326366  0.42846749
  -0.04647621  0.19361500  0.40009011
   0.00762507 -0.02657049  0.51231724
   0.46217305  0.21666450  0.79101047
   0.04348288  0.24400074  0.57470675
   0.34508128  0.45247860  0.84946490
   0.49242146  0.44831422  0.69302035
   0.24290032  0.33348828  0.69639535
   0.24019612  0.17310521 -0.12268439
   0.00557939  0.11016379  0.96327767
   0.13770775  0.59112154  0.08205057
   0.37861860  0.68555578  0.26379060
   0.13241815  0.85824837  0.04072957
   0.34080254  0.92798682  0.34058459
   0.40871581  0.90562234  0.16946729
   0.15954879  0.81852609  0.22370247
   0.30860838  0.65909764  0.43996621
   0.04450850  0.61277119  0.39520827
   0.17606742  0.47472273  0.54449015
   0.34617183  0.67751693  0.75598218
   0.12915427  0.74357109  0.54403966
   0.37008412  0.97536646  0.79499119
   0.45402647  0.88095820  0.63677378
   0.19271119  0.93417770  0.66105346
   0.28350687  0.67898604 -0.05853695
   0.02342244  0.67428804  0.91729604
   0.60899759  0.04984966  0.11613390
   0.83387253  0.20182037  0.23472269
   0.64135116  0.27357595  0.02176168
   0.82817293  0.43959605  0.36712961
   0.03408238  0.38982330  0.19417817
   0.76914569  0.42646436  0.15302962
   0.69825656  0.17879563  0.41223571
   0.45280148  0.10877453  0.45217369
   0.65836623  0.06425659  0.57355876
   0.86958652  0.22590474  0.81538454
   0.59560670  0.32965746  0.53706853
   0.86567737  0.47081748  0.85821873
   1.01337965  0.45615199  0.69798737
   0.74099158  0.39219133  0.69084456
   0.74294262  0.06718430  0.93813650
   0.47718235  0.07663406  0.95905486
   0.56064016  0.52409185  0.05140607
   0.85239543  0.68076493  0.27226325
   0.56925217  0.80445477  0.03647431
   0.82113562  0.96116257  0.32177155
   0.91811005  0.86328886  0.15869502
   0.65265761  0.82773170  0.21866120
   0.80024111  0.68611855  0.44824826
   0.56814527  0.60872410  0.38836579
   0.64567855  0.58755212  0.56485131
   0.80930827  0.72544433  0.80468561
   0.57603250  0.84510612  0.44745251
   0.93358646  0.94557296  0.83446354
   0.95353810  0.82785272  0.66570620
   0.69980230  0.92183949  0.72829950
   0.77363493  0.66498472  0.97986855
   0.53269369  0.62406656  0.89647653
   0.70305501  0.81317838  0.58186552
   0.54349937  0.84090315  0.38248781
   0.93013579  0.27998763  0.06284455
   0.91135808  0.37908191  0.37083505
   0.36676031  0.12525358  0.63661727
   0.24616730  0.72972456  0.75856991
   0.16452267  1.12021298  0.19971561
   0.23711539  1.09667209  0.04813391
   0.63795013  0.35089972  0.85133520
   0.92940163  0.47947968  0.67917355
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.993882   -0.046522   -0.147289
    -0.000000    9.728684   -0.050128
    -0.000000    0.000000   13.978107
   Si   O    H 
    32    64    10
Direct configuration=  2516
   0.16221600  0.17945262 -0.01780896
   0.33053210  0.09080881  0.37242188
   0.14402718  0.42736388  0.11207397
   0.38507822  0.33540781  0.23701700
   0.05200454  0.12825061  0.48631517
   0.38966363  0.10939482  0.85998109
   0.11733690  0.37626046  0.62957905
   0.38355454  0.35391817  0.75493047
   0.14151666  0.70300573 -0.00593730
   0.40818631  0.59730826  0.35846243
   0.07296516  0.90653335  0.14651245
   0.31598283  0.83949999  0.24664288
   0.16214139  0.61120072  0.47360329
   0.37786053  0.61141281  0.86429811
   0.07050245  0.86895704  0.59571885
   0.33848186  0.98849501  0.67886605
   0.62019904  0.11461346  1.00702977
   0.82445971  0.12640530  0.34097931
   0.62273807  0.38480503  0.10716642
   0.89499085  0.31722141  0.16048818
   0.59284109  0.17246494  0.49567518
   0.88790222  0.08972546  0.88529226
   0.62142494  0.44604871  0.61819796
   0.76766449  0.35285231  0.80378799
   0.61500326  0.65922303 -0.00811732
   0.88166479  0.60049212  0.37041630
   0.55967029  0.89054570  0.13573120
   0.81493649  0.83709506  0.24895244
   0.64741803  0.69003663  0.47232118
   0.86968832  0.62770933  0.88607188
   0.62581245  0.92308893  0.62575550
   0.84844303  0.86396128  0.74915788
   0.07950093  0.07681670  0.17260547
   0.31787210  0.19060985  0.28051961
   0.13253295  0.33419637  0.01722166
   0.40470923  0.43079675  0.33569733
   0.52834119  0.32687161  0.19054589
   0.28720426  0.38999963  0.16094559
   0.18785625  0.12300096  0.42817029
  -0.04473136  0.19481997  0.39960871
   0.00942828 -0.02699387  0.51246583
   0.46381060  0.21848305  0.79043866
   0.04566877  0.24226709  0.57398243
   0.34436546  0.45197356  0.84942828
   0.49335627  0.44903217  0.69318183
   0.24479890  0.33536242  0.69568224
   0.23965023  0.17228149 -0.12346225
   0.00603878  0.10905461  0.96306896
   0.13825908  0.58971620  0.08249627
   0.37851407  0.68694577  0.26388580
   0.13224812  0.85681382  0.04084884
   0.33940662  0.92773847  0.33978984
   0.40730829  0.90545269  0.17034445
   0.16064415  0.81851393  0.22400874
   0.31093548  0.65986416  0.44044953
   0.04388901  0.61152893  0.39509207
   0.17736632  0.47423640  0.54449727
   0.34689436  0.67613655  0.75580006
   0.13040453  0.74202214  0.54386925
   0.36992149  0.97565787  0.79487999
   0.45236926  0.88343157  0.63792988
   0.19255445  0.93538324  0.66039843
   0.28384238  0.67694316 -0.05947697
   0.02380331  0.67311647  0.91856426
   0.60766419  0.05061595  0.11563173
   0.83487929  0.20077800  0.23389578
   0.64158457  0.27296552  0.02236060
   0.83055013  0.44006406  0.36857946
   0.03452951  0.39089175  0.19375325
   0.76852270  0.42626221  0.15198920
   0.69857644  0.17850086  0.41315008
   0.45109766  0.10903599  0.45171239
   0.65647680  0.06463064  0.57167456
   0.86837760  0.22739534  0.81463840
   0.59527364  0.33111842  0.53726567
   0.86636738  0.47374398  0.85848458
   1.01552498  0.45359097  0.69893382
   0.73852619  0.39075304  0.69030344
   0.74311141  0.06675520  0.93796054
   0.47829318  0.07710201  0.95856606
   0.55893591  0.52195832  0.05193353
   0.85217160  0.68092191  0.27281322
   0.56903976  0.80700374  0.03655363
   0.82044279  0.96254855  0.32110343
   0.91860542  0.86630469  0.15921630
   0.65387230  0.82666693  0.21828685
   0.80177612  0.68683550  0.44821884
   0.56864407  0.60902512  0.38909536
   0.64455951  0.58732360  0.56496682
   0.80992717  0.72663362  0.80448698
   0.57682207  0.84512198  0.44830851
   0.93278244  0.94791361  0.83495814
   0.95259103  0.82589036  0.66542934
   0.69956104  0.92415266  0.72903904
   0.77349186  0.66537070  0.98015042
   0.53256502  0.62433626  0.89540276
   0.70851067  0.80956758  0.58242617
   0.54604785  0.84364890  0.38342641
   0.93257615  0.26783970  0.06205805
   0.91182733  0.37577036  0.36976481
   0.36630838  0.12161640  0.63574854
   0.24013344  0.73635146  0.75922895
   0.15772344  1.11852456  0.19766284
   0.24503020  1.10474576  0.04838099
   0.63782322  0.35688607  0.85352299
   0.92224352  0.48385309  0.68193586
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.991958   -0.048662   -0.148715
    -0.000000    9.729359   -0.051439
    -0.000000    0.000000   13.978348
   Si   O    H 
    32    64    10
Direct configuration=  2517
   0.16210303  0.17932052 -0.01854675
   0.33047921  0.09080625  0.37243857
   0.14423856  0.42774186  0.11083526
   0.38427408  0.33491627  0.23718193
   0.05326410  0.12828838  0.48603151
   0.39028745  0.10890194  0.85874853
   0.11896435  0.37725956  0.62918760
   0.38288173  0.35350701  0.75593232
   0.14119388  0.70330677 -0.00592565
   0.40782571  0.59707278  0.35879355
   0.07226935  0.90809096  0.14601199
   0.31638302  0.84023382  0.24739459
   0.16185162  0.61049615  0.47360692
   0.37733891  0.61031953  0.86322022
   0.06999822  0.86976061  0.59472833
   0.33839100  0.98840670  0.67840123
   0.61947866  0.11455495  1.00667338
   0.82413184  0.12670835  0.34134646
   0.62235843  0.38424297  0.10739931
   0.89540609  0.31727234  0.15986310
   0.59280923  0.17205981  0.49608459
   0.88799592  0.09102275  0.88529259
   0.62065528  0.44581157  0.61736429
   0.76761785  0.35338113  0.80383409
   0.61394353  0.66040810 -0.00710784
   0.87944228  0.60062542  0.37086140
   0.56044789  0.88990022  0.13472747
   0.81589115  0.83601572  0.24836429
   0.64787044  0.69250619  0.47253787
   0.86941633  0.62887202  0.88645394
   0.62555794  0.92409716  0.62589053
   0.84808919  0.86289127  0.74996963
   0.07903746  0.07862459  0.17296293
   0.31800268  0.19186088  0.28109235
   0.13245105  0.33543924  0.01880555
   0.40476642  0.43113457  0.33622870
   0.53023658  0.32459543  0.19074501
   0.28653224  0.39260779  0.16096554
   0.18774355  0.12240803  0.42741283
  -0.04329027  0.19563024  0.39918928
   0.01087137 -0.02690127  0.51269373
   0.46466445  0.21993862  0.78927053
   0.04825115  0.24130552  0.57380703
   0.34344523  0.45095293  0.84960023
   0.49405578  0.44912102  0.69334393
   0.24709405  0.33639515  0.69555345
   0.23960013  0.17200151 -0.12396459
   0.00690800  0.10824162  0.96248158
   0.13863879  0.58799576  0.08306718
   0.37838738  0.68800849  0.26401450
   0.13202473  0.85567577  0.04174364
   0.33721033  0.92767473  0.33880261
   0.40607517  0.90601544  0.17079977
   0.16195142  0.81846371  0.22415932
   0.31241482  0.66023168  0.44111824
   0.04480989  0.60944425  0.39524178
   0.17797492  0.47453335  0.54435210
   0.34666259  0.67487298  0.75618821
   0.13205287  0.74023355  0.54334871
   0.36975904  0.97618982  0.79502694
   0.45161011  0.88537032  0.63876836
   0.19219792  0.93678367  0.66011699
   0.28354695  0.67505817 -0.06007470
   0.02380894  0.67218865  0.91976656
   0.60595831  0.05064871  0.11527664
   0.83546448  0.19940975  0.23339369
   0.64097636  0.27224120  0.02262512
   0.83360432  0.44042920  0.36970297
   0.03506149  0.39261324  0.19415155
   0.76857088  0.42598596  0.15121343
   0.69834942  0.17778480  0.41303060
   0.44928387  0.10870910  0.45095508
   0.65470349  0.06488914  0.57065933
   0.86752291  0.22860529  0.81438480
   0.59457610  0.33321308  0.53729225
   0.86599977  0.47601353  0.85833920
   1.01768971  0.45109706  0.69993090
   0.73672475  0.38991171  0.69010682
   0.74313914  0.06663089  0.93743123
   0.47951488  0.07770947  0.95797325
   0.55825538  0.51995193  0.05273301
   0.85263196  0.68122185  0.27403608
   0.56909109  0.80953377  0.03683425
   0.82087511  0.96357492  0.32017324
   0.91907891  0.86916777  0.15999283
   0.65575928  0.82481853  0.21819854
   0.80390870  0.68840299  0.44800852
   0.56942547  0.60993378  0.38961083
   0.64400106  0.58812922  0.56450256
   0.81047756  0.72693460  0.80417436
   0.57774326  0.84612309  0.44997261
   0.93168049  0.95004460  0.83449419
   0.95051236  0.82436744  0.66529675
   0.69893905  0.92661735  0.72986482
   0.77433707  0.66544856  0.98025714
   0.53246449  0.62515675  0.89394455
   0.71258176  0.80920207  0.58415363
   0.54649439  0.84961528  0.37995987
   0.93070545  0.25874393  0.06271202
   0.90668808  0.37062849  0.36964309
   0.36632540  0.11702961  0.63478616
   0.24965918  0.73417782  0.75933125
   0.15766440  1.12252396  0.19882033
   0.25230867  1.11068382  0.04897077
   0.64010649  0.36241597  0.85540998
   0.92234469  0.48515106  0.68308549
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.990085   -0.050949   -0.149947
    -0.000000    9.729689   -0.052757
    -0.000000    0.000000   13.978388
   Si   O    H 
    32    64    10
Direct configuration=  2518
   0.16224703  0.17872301 -0.01925880
   0.33025274  0.09065766  0.37258127
   0.14450789  0.42872129  0.10998079
   0.38348833  0.33470434  0.23755403
   0.05442186  0.12858130  0.48584359
   0.39070974  0.10873605  0.85760718
   0.12074074  0.37800542  0.62855953
   0.38253079  0.35389416  0.75646522
   0.14047303  0.70339609 -0.00582080
   0.40728254  0.59643904  0.35880070
   0.07171166  0.90946155  0.14537003
   0.31667017  0.84060230  0.24784835
   0.16167243  0.61020894  0.47417844
   0.37647992  0.60898465  0.86195011
   0.06973788  0.87063316  0.59407295
   0.33883779  0.98787126  0.67788619
   0.61891558  0.11484794  1.00660384
   0.82359911  0.12785623  0.34189290
   0.62149460  0.38418960  0.10768729
   0.89576184  0.31641304  0.15945222
   0.59267080  0.17177798  0.49627547
   0.88781947  0.09203499  0.88518055
   0.61946933  0.44538344  0.61716410
   0.76759689  0.35374414  0.80438363
   0.61284618  0.66088219 -0.00585171
   0.87779995  0.60076139  0.37070830
   0.56164169  0.88954716  0.13378163
   0.81645981  0.83506831  0.24758602
   0.64827302  0.69467170  0.47282499
   0.86924595  0.63045227  0.88732150
   0.62561197  0.92498658  0.62630276
   0.84819573  0.86235755  0.75055089
   0.07819791  0.07974561  0.17259573
   0.31869271  0.19375954  0.28131298
   0.13230754  0.33687219  0.02050932
   0.40359536  0.43215872  0.33666065
   0.53138450  0.32317363  0.19075985
   0.28597067  0.39546483  0.16076296
   0.18816828  0.12171016  0.42675541
  -0.04288287  0.19730877  0.39909359
   0.01218369 -0.02705404  0.51262431
   0.46562198  0.22167901  0.78829596
   0.05031313  0.24060902  0.57345506
   0.34262200  0.44893991  0.84941613
   0.49435887  0.44833021  0.69326322
   0.24900573  0.33739484  0.69514650
   0.23910876  0.17224845 -0.12447718
   0.00873194  0.10870242  0.96209235
   0.13956199  0.58660848  0.08307918
   0.37806720  0.68894480  0.26434139
   0.13196360  0.85415166  0.04290535
   0.33547742  0.92830022  0.33863849
   0.40474205  0.90680742  0.17065932
   0.16192338  0.81791694  0.22394785
   0.31246160  0.66025815  0.44200887
   0.04444266  0.60689163  0.39558324
   0.17773826  0.47499451  0.54356275
   0.34588075  0.67487421  0.75620733
   0.13422201  0.73947224  0.54282699
   0.36949578  0.97688393  0.79496840
   0.45136355  0.88779845  0.63943011
   0.19118901  0.93788200  0.65928940
   0.28230391  0.67340756 -0.05975882
   0.02352383  0.67162989  0.92090196
   0.60497266  0.05051330  0.11438717
   0.83629797  0.19770979  0.23293112
   0.64043759  0.27246219  0.02254430
   0.83690381  0.44023044  0.37086303
   0.03514032  0.39454531  0.19509930
   0.76905615  0.42639337  0.15066296
   0.69823916  0.17717639  0.41268574
   0.44839759  0.10939789  0.44980995
   0.65301370  0.06512367  0.56991898
   0.86618001  0.22969344  0.81439278
   0.59414406  0.33480592  0.53672224
   0.86499236  0.47715405  0.85783744
   1.01930600  0.44967625  0.70057834
   0.73604399  0.38900665  0.69052784
   0.74312261  0.06624267  0.93661581
   0.48053092  0.07814411  0.95699701
   0.55728868  0.51877350  0.05371582
   0.85347229  0.68149163  0.27515155
   0.56912099  0.81197071  0.03727333
   0.82077457  0.96431822  0.31940819
   0.91834283  0.87172606  0.16069725
   0.65862426  0.82358827  0.21842030
   0.80596052  0.69004894  0.44840983
   0.56927728  0.61095013  0.39023870
   0.64324736  0.58909731  0.56411313
   0.81116944  0.72708719  0.80447676
   0.57817987  0.84760520  0.45066380
   0.93078147  0.95197328  0.83363063
   0.94867871  0.82336902  0.66481474
   0.69821065  0.92908976  0.73109538
   0.77502622  0.66509940  0.98017868
   0.53277596  0.62634441  0.89229978
   0.71331058  0.81094524  0.58612361
   0.54891688  0.85302526  0.38090196
   0.92397966  0.25013521  0.06450087
   0.90133414  0.36572075  0.37095502
   0.36608357  0.11539257  0.63273255
   0.27292816  0.72120572  0.75945634
   0.15756761  1.12809456  0.20196009
   0.25571924  1.11703414  0.05041015
   0.64521038  0.36638994  0.85669950
   0.92995116  0.48532741  0.68402111
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.988067   -0.053183   -0.150418
    -0.000000    9.729613   -0.054189
    -0.000000    0.000000   13.978513
   Si   O    H 
    32    64    10
Direct configuration=  2519
   0.16201499  0.17843564 -0.01963528
   0.32945685  0.09090767  0.37312288
   0.14451839  0.42942712  0.10964243
   0.38274453  0.33473907  0.23829000
   0.05535589  0.12892014  0.48560995
   0.39084263  0.10854821  0.85634578
   0.12249788  0.37875923  0.62772359
   0.38228746  0.35469545  0.75712822
   0.14058604  0.70286605 -0.00584625
   0.40660745  0.59512841  0.35905715
   0.07134976  0.91115678  0.14489221
   0.31673575  0.84035348  0.24843799
   0.16218854  0.60977624  0.47503789
   0.37537206  0.60755802  0.86024563
   0.06983364  0.87141258  0.59384162
   0.33912131  0.98776605  0.67759016
   0.61876837  0.11495332  1.00653221
   0.82282957  0.12919506  0.34210447
   0.62137819  0.38412891  0.10780119
   0.89546351  0.31502702  0.15932882
   0.59163866  0.17241732  0.49637063
   0.88684014  0.09247921  0.88459864
   0.61835650  0.44589426  0.61678927
   0.76743180  0.35431269  0.80441812
   0.61154114  0.66169364 -0.00486670
   0.87671149  0.60067351  0.37051903
   0.56191397  0.88985318  0.13301922
   0.81735737  0.83430930  0.24718730
   0.64845892  0.69629942  0.47278542
   0.86978166  0.63185488  0.88831351
   0.62538335  0.92640887  0.62664878
   0.84802594  0.86207646  0.75141157
   0.07784881  0.08121336  0.17203354
   0.31938002  0.19465010  0.28096781
   0.13227315  0.33774002  0.02138045
   0.40257108  0.43339815  0.33742055
   0.53256924  0.32174294  0.19101044
   0.28476241  0.39832441  0.16001024
   0.18935346  0.12131876  0.42585689
  -0.04265992  0.19866288  0.39931765
   0.01374141 -0.02607228  0.51283770
   0.46628003  0.22254323  0.78776939
   0.05256614  0.24037969  0.57311476
   0.34191573  0.44694444  0.84873787
   0.49418891  0.44723195  0.69289141
   0.25088736  0.33740509  0.69437420
   0.23910047  0.17236351 -0.12401993
   0.01045557  0.10903965  0.96184515
   0.13976957  0.58568243  0.08261541
   0.37847236  0.68903140  0.26442091
   0.13203005  0.85208690  0.04396074
   0.33340758  0.92939633  0.33900767
   0.40413743  0.90740379  0.17034981
   0.16150902  0.81752519  0.22410916
   0.31287442  0.65977891  0.44261662
   0.04350117  0.60440156  0.39547967
   0.17747808  0.47477366  0.54274950
   0.34649455  0.67461284  0.75610759
   0.13621341  0.73897634  0.54225837
   0.36876564  0.97748846  0.79457999
   0.45163060  0.89005701  0.63990759
   0.18944928  0.93963699  0.65872899
   0.28089385  0.67195032 -0.05947294
   0.02277873  0.67144902  0.92183848
   0.60457398  0.05057141  0.11338001
   0.83681690  0.19685181  0.23289116
   0.64034144  0.27206135  0.02271018
   0.84036163  0.43879139  0.37194724
   0.03531838  0.39598297  0.19548320
   0.76963708  0.42718244  0.15063899
   0.69843411  0.17649039  0.41153585
   0.44856973  0.11014455  0.44866727
   0.65098697  0.06532178  0.56958748
   0.86550392  0.23051195  0.81501097
   0.59430449  0.33544831  0.53551487
   0.86449245  0.47705813  0.85759495
   1.02098073  0.44907814  0.70070678
   0.73647691  0.38831958  0.69051720
   0.74305898  0.06644555  0.93641208
   0.48099019  0.07887642  0.95552061
   0.55649522  0.51783523  0.05472357
   0.85432996  0.68181882  0.27580333
   0.56889922  0.81405465  0.03742052
   0.82062978  0.96454844  0.31858345
   0.91789408  0.87391402  0.16140719
   0.66073721  0.82256229  0.21863758
   0.80653430  0.69182231  0.44894045
   0.56813144  0.61124704  0.39060781
   0.64266836  0.58940666  0.56376737
   0.81231362  0.72653527  0.80485876
   0.57856461  0.84898955  0.45211305
   0.93002212  0.95341338  0.83287987
   0.94666833  0.82298544  0.66430741
   0.69740007  0.93173995  0.73232005
   0.77586996  0.66520457  0.97970642
   0.53239258  0.62779478  0.89083353
   0.71021493  0.81333115  0.58776250
   0.55435535  0.85668935  0.38530013
   0.91493151  0.24514068  0.06783483
   0.89796217  0.35812952  0.37324799
   0.36485838  0.11897478  0.62904428
   0.26579995  0.72783177  0.75864627
   0.15498495  1.12932592  0.20310962
   0.25892060  1.11918369  0.04953111
   0.64825978  0.36646634  0.85906817
   0.93602677  0.48343799  0.68440227
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.986041   -0.055105   -0.150234
    -0.000000    9.729775   -0.055210
    -0.000000    0.000000   13.978465
   Si   O    H 
    32    64    10
Direct configuration=  2520
   0.16190234  0.17793014 -0.01984159
   0.32861225  0.09023053  0.37306004
   0.14470129  0.43088446  0.10951904
   0.38197220  0.33512804  0.23915177
   0.05629402  0.12986854  0.48505318
   0.39065499  0.10896423  0.85514322
   0.12389356  0.37931341  0.62666801
   0.38222160  0.35576345  0.75705419
   0.14101146  0.70264844 -0.00575425
   0.40637505  0.59426683  0.35914425
   0.07096147  0.91274926  0.14427465
   0.31658743  0.84048898  0.24889648
   0.16304329  0.60947451  0.47618798
   0.37470435  0.60636748  0.85893137
   0.07029037  0.87141271  0.59395362
   0.33902468  0.98863710  0.67731695
   0.61911269  0.11442547  1.00645945
   0.82263496  0.13047493  0.34225921
   0.62152726  0.38456114  0.10806778
   0.89520645  0.31403730  0.15937192
   0.59064513  0.17402887  0.49644131
   0.88614563  0.09316653  0.88459578
   0.61670798  0.44708214  0.61683632
   0.76735347  0.35495988  0.80455019
   0.61059628  0.66272060 -0.00450958
   0.87630093  0.60000252  0.37013954
   0.56245302  0.89016096  0.13249143
   0.81871215  0.83411175  0.24713479
   0.64852626  0.69744582  0.47280310
   0.87082212  0.63333010  0.88949267
   0.62500259  0.92804348  0.62773864
   0.84755114  0.86221674  0.75209971
   0.07800828  0.08194699  0.17186270
   0.31973912  0.19564344  0.28078517
   0.13233240  0.33765483  0.02167979
   0.40165687  0.43445139  0.33792829
   0.53323297  0.32031644  0.19167231
   0.28417390  0.40096666  0.15951966
   0.19017850  0.12095609  0.42521881
  -0.04237872  0.19902716  0.39931088
   0.01414476 -0.02480376  0.51335159
   0.46739144  0.22243600  0.78718112
   0.05506065  0.23974952  0.57341190
   0.34144478  0.44498473  0.84897783
   0.49384600  0.44610260  0.69295001
   0.25245824  0.33704595  0.69414082
   0.23928038  0.17272291 -0.12343076
   0.01188877  0.10987130  0.96173961
   0.13936933  0.58542018  0.08267305
   0.37923886  0.68861594  0.26411498
   0.13211772  0.85001412  0.04499474
   0.33177752  0.93091684  0.34021356
   0.40435362  0.90895100  0.17012206
   0.16083934  0.81787658  0.22406995
   0.31243295  0.65896384  0.44286341
   0.04278874  0.60206903  0.39495155
   0.17695213  0.47427678  0.54145769
   0.34654117  0.67490816  0.75525589
   0.13741832  0.73812364  0.54194346
   0.36842285  0.97735857  0.79393082
   0.45301405  0.89139981  0.63977694
   0.18758266  0.94159159  0.65824398
   0.27914175  0.67103537 -0.05884723
   0.02200844  0.67156099  0.92273601
   0.60370332  0.05025818  0.11290794
   0.83660289  0.19661989  0.23262610
   0.64060416  0.27303075  0.02263443
   0.84367237  0.43723138  0.37281780
   0.03524419  0.39742293  0.19599028
   0.77050234  0.42780940  0.15083952
   0.69879234  0.17607345  0.40994593
   0.44939098  0.11144185  0.44782882
   0.64890890  0.06598041  0.56947214
   0.86537973  0.23030058  0.81587467
   0.59424194  0.33532744  0.53416746
   0.86364271  0.47741937  0.85702808
   1.02248678  0.44916616  0.70093281
   0.73668444  0.38699145  0.69069249
   0.74366753  0.06697984  0.93664611
   0.48048556  0.07958653  0.95467229
   0.55654417  0.51725574  0.05560611
   0.85507962  0.68142642  0.27601152
   0.56908358  0.81480497  0.03727909
   0.82074953  0.96505632  0.31790180
   0.91790653  0.87567924  0.16159843
   0.66226528  0.82188100  0.21839157
   0.80700844  0.69409770  0.45007545
   0.56701615  0.61063203  0.39132342
   0.64227185  0.59010801  0.56365803
   0.81335637  0.72549782  0.80515191
   0.57926797  0.85063269  0.45331098
   0.92934611  0.95446533  0.83144324
   0.94523954  0.82291614  0.66368317
   0.69705074  0.93376248  0.73395953
   0.77584243  0.66513110  0.97962166
   0.53236195  0.62926951  0.88956979
   0.70786864  0.81630020  0.58897899
   0.56222925  0.85907039  0.38837660
   0.90954539  0.24021106  0.06977536
   0.90376599  0.35244894  0.37520441
   0.36258767  0.12246037  0.62457184
   0.25624437  0.73687201  0.75630240
   0.14887146  1.12434425  0.20552028
   0.25903306  1.11670782  0.05002057
   0.64542965  0.36547446  0.85982283
   0.93435336  0.48531180  0.68360475
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.983781   -0.056447   -0.149867
    -0.000000    9.730074   -0.056151
    -0.000000    0.000000   13.978714
   Si   O    H 
    32    64    10
Direct configuration=  2521
   0.16157849  0.17816069 -0.01986914
   0.32832708  0.08958832  0.37285335
   0.14462813  0.43205397  0.10961455
   0.38151907  0.33535633  0.23988480
   0.05724600  0.13129543  0.48435632
   0.39072197  0.10967518  0.85479600
   0.12500211  0.37963501  0.62581156
   0.38237170  0.35719614  0.75710683
   0.14117410  0.70158671 -0.00561642
   0.40737275  0.59432972  0.35917890
   0.07056091  0.91356980  0.14383535
   0.31610708  0.84041086  0.24910007
   0.16366884  0.60874184  0.47666676
   0.37382023  0.60495805  0.85768001
   0.07064974  0.87086952  0.59398565
   0.33892730  0.98924405  0.67724814
   0.61968183  0.11423406  1.00637558
   0.82208651  0.13221243  0.34197713
   0.62135755  0.38491737  0.10844460
   0.89491835  0.31324359  0.15963983
   0.58952004  0.17540789  0.49616808
   0.88518641  0.09401628  0.88437961
   0.61493267  0.44756238  0.61722588
   0.76761533  0.35628865  0.80483740
   0.60943207  0.66261031 -0.00412775
   0.87603948  0.59908259  0.36981189
   0.56311916  0.89032654  0.13215817
   0.82047233  0.83424871  0.24766494
   0.64831056  0.69809916  0.47300168
   0.87206127  0.63435854  0.89061465
   0.62393253  0.92982369  0.62906948
   0.84690443  0.86223802  0.75239951
   0.07816220  0.08196120  0.17121336
   0.32018711  0.19639358  0.28024475
   0.13284491  0.33681961  0.02151999
   0.40058229  0.43430049  0.33790744
   0.53395481  0.31877208  0.19256874
   0.28372363  0.40317282  0.15928490
   0.19063928  0.12056057  0.42495777
  -0.04226668  0.19901317  0.39931981
   0.01425969 -0.02431620  0.51377567
   0.46814965  0.22178867  0.78703024
   0.05802198  0.23858817  0.57378249
   0.34167735  0.44388510  0.84974507
   0.49301909  0.44531786  0.69285232
   0.25320930  0.33702348  0.69301539
   0.24012046  0.17315871 -0.12258740
   0.01379796  0.11105104  0.96173560
   0.13919259  0.58605477  0.08247014
   0.37938219  0.68818510  0.26398331
   0.13152223  0.84794623  0.04573760
   0.32970805  0.93261941  0.34214039
   0.40568167  0.90983587  0.16955508
   0.15962370  0.81912823  0.22372019
   0.31216214  0.65778538  0.44309829
   0.04253271  0.59966756  0.39401868
   0.17647337  0.47418575  0.54053491
   0.34601530  0.67618225  0.75446166
   0.13778570  0.73872122  0.54263884
   0.36855240  0.97635111  0.79268739
   0.45489119  0.89214522  0.63932016
   0.18632084  0.94326362  0.65765285
   0.27771186  0.67008491 -0.05832153
   0.02103523  0.67101655  0.92311812
   0.60298418  0.05031907  0.11204868
   0.83648146  0.19600283  0.23299866
   0.64069880  0.27467265  0.02242489
   0.84686192  0.43555551  0.37287186
   0.03464165  0.39857130  0.19646721
   0.77125214  0.42806249  0.15111093
   0.69928199  0.17480578  0.40871141
   0.45099594  0.11283209  0.44697694
   0.64677406  0.06593897  0.56963949
   0.86516227  0.22958791  0.81642493
   0.59371717  0.33552819  0.53252257
   0.86229549  0.47790155  0.85671705
   1.02413244  0.44972040  0.70122332
   0.73690128  0.38626435  0.69107190
   0.74437587  0.06775533  0.93657650
   0.47918020  0.07972127  0.95332790
   0.55616138  0.51798390  0.05608459
   0.85537849  0.68166943  0.27600505
   0.57008450  0.81461314  0.03644195
   0.82133375  0.96616859  0.31740621
   0.91778828  0.87751594  0.16142104
   0.66342011  0.82110926  0.21782352
   0.80744447  0.69687423  0.45156073
   0.56572657  0.60947767  0.39229670
   0.64130009  0.59089971  0.56422675
   0.81413791  0.72459463  0.80544600
   0.58050070  0.85206865  0.45470537
   0.92812886  0.95549824  0.83080858
   0.94387472  0.82318047  0.66359756
   0.69685036  0.93582388  0.73525674
   0.77536976  0.66509561  0.98054023
   0.53247191  0.63055110  0.88892574
   0.70838925  0.81642217  0.58696070
   0.56902283  0.86366889  0.38405650
   0.90331639  0.23853153  0.07028957
   0.90538068  0.35397088  0.37783338
   0.35794370  0.12119635  0.62347914
   0.26070319  0.73392094  0.75386306
   0.14548486  1.12052764  0.21154493
   0.26020350  1.11729849  0.04976377
   0.63973273  0.36076918  0.85965499
   0.93368560  0.48704810  0.68182814
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.982143   -0.057539   -0.149468
    -0.000000    9.730647   -0.056889
    -0.000000    0.000000   13.978948
   Si   O    H 
    32    64    10
Direct configuration=  2522
   0.16125046  0.17808472 -0.01946075
   0.32812449  0.08942012  0.37280610
   0.14486196  0.43279118  0.11003846
   0.38171747  0.33549492  0.24095211
   0.05746035  0.13304554  0.48365422
   0.39089660  0.11033665  0.85475588
   0.12565410  0.37967659  0.62479168
   0.38249150  0.35937752  0.75715442
   0.14101283  0.70045665 -0.00547826
   0.40855358  0.59408302  0.35908138
   0.07058131  0.91424820  0.14368811
   0.31534588  0.83972318  0.24928349
   0.16448746  0.60846415  0.47716649
   0.37257905  0.60345219  0.85705030
   0.06998225  0.87000607  0.59412531
   0.33895414  0.99005204  0.67653630
   0.62042715  0.11384700  1.00631682
   0.82088953  0.13298037  0.34174216
   0.62145659  0.38546647  0.10849065
   0.89419860  0.31250852  0.15959410
   0.58823930  0.17637284  0.49572691
   0.88459192  0.09541571  0.88399698
   0.61297126  0.44821883  0.61791144
   0.76705733  0.35809670  0.80589703
   0.60851824  0.66192373 -0.00362949
   0.87640292  0.59781492  0.36999406
   0.56423601  0.89046682  0.13238591
   0.82144645  0.83481137  0.24850684
   0.64835464  0.69830666  0.47326875
   0.87268771  0.63505543  0.89164321
   0.62233422  0.93129301  0.63047345
   0.84593490  0.86204764  0.75293417
   0.07770179  0.08172101  0.17095082
   0.32109628  0.19662635  0.28017308
   0.13280984  0.33610213  0.02042516
   0.39952233  0.43386764  0.33784200
   0.53397697  0.31757437  0.19425995
   0.28391946  0.40544475  0.15992353
   0.19095438  0.11973643  0.42500040
  -0.04256985  0.19856695  0.39989402
   0.01419138 -0.02311294  0.51412293
   0.46894945  0.22072738  0.78679042
   0.06028060  0.23794611  0.57380530
   0.34201194  0.44281262  0.85038126
   0.49181461  0.44456805  0.69269065
   0.25254719  0.33594647  0.69172673
   0.24130245  0.17376390 -0.12182488
   0.01597227  0.11138670  0.96103086
   0.13817812  0.58725989  0.08202444
   0.38036215  0.68802452  0.26401038
   0.13084090  0.84657656  0.04707207
   0.32850345  0.93418885  0.34420325
   0.40797207  0.91051328  0.16854261
   0.15877801  0.82160570  0.22309380
   0.31228534  0.65655684  0.44346456
   0.04199076  0.59792843  0.39358269
   0.17552092  0.47407151  0.53905449
   0.34545204  0.67781296  0.75399384
   0.13826186  0.74026973  0.54337643
   0.36875260  0.97496259  0.79192937
   0.45650491  0.89278905  0.63887380
   0.18584100  0.94530459  0.65750797
   0.27686582  0.66998075 -0.05821769
   0.01987587  0.67100659  0.92358361
   0.60303858  0.05020191  0.11134357
   0.83594950  0.19555328  0.23331154
   0.64090036  0.27544152  0.02194941
   0.84946828  0.43480535  0.37268814
   0.03454358  0.39992327  0.19693153
   0.77259264  0.42798864  0.15124915
   0.70008986  0.17374561  0.40763998
   0.45282843  0.11468465  0.44627415
   0.64425283  0.06654944  0.57052741
   0.86589775  0.22776259  0.81676805
   0.59365051  0.33457448  0.53068927
   0.86024570  0.47861004  0.85616446
   1.02478318  0.45080088  0.70176627
   0.73820126  0.38597868  0.69176697
   0.74475984  0.06798485  0.93643451
   0.47743073  0.08024260  0.95158948
   0.55599216  0.51938421  0.05631434
   0.85535282  0.68124069  0.27556138
   0.57157119  0.81346733  0.03468868
   0.82181059  0.96746361  0.31702327
   0.91756516  0.87930726  0.16087553
   0.66372983  0.82004796  0.21694592
   0.80804147  0.69929427  0.45361575
   0.56458369  0.60834980  0.39252194
   0.64037584  0.59158575  0.56444239
   0.81514939  0.72386602  0.80565247
   0.58223581  0.85353862  0.45569068
   0.92706532  0.95684550  0.83067236
   0.94187678  0.82373082  0.66336454
   0.69675578  0.93698006  0.73665747
   0.77437015  0.66572536  0.98168702
   0.53177068  0.63264286  0.88873320
   0.70600930  0.82033266  0.58419888
   0.57539464  0.86609000  0.38459977
   0.89903972  0.23649863  0.07085035
   0.90970183  0.35320365  0.38188930
   0.35057840  0.11982217  0.62355097
   0.27337578  0.72662736  0.75130866
   0.14363040  1.11615683  0.21870290
   0.25953746  1.11937153  0.05023489
   0.63699595  0.35370963  0.85700351
   0.94114140  0.48351538  0.68111583
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.980336   -0.058278   -0.148917
    -0.000000    9.731251   -0.057696
    -0.000000    0.000000   13.979005
   Si   O    H 
    32    64    10
Direct configuration=  2523
   0.16141055  0.17782260 -0.01919946
   0.32810117  0.08963544  0.37290659
   0.14505481  0.43378013  0.11039774
   0.38180342  0.33650151  0.24183731
   0.05778336  0.13449903  0.48285978
   0.39087934  0.11086954  0.85485104
   0.12609621  0.37915264  0.62409995
   0.38238639  0.36175535  0.75703217
   0.14071973  0.69907540 -0.00553859
   0.40954552  0.59401394  0.35887213
   0.07087734  0.91547006  0.14391047
   0.31469408  0.83824522  0.24946341
   0.16521361  0.60874971  0.47734069
   0.37119107  0.60265637  0.85603439
   0.06890773  0.86880618  0.59435349
   0.33850307  0.99063781  0.67594763
   0.62127095  0.11364434  1.00605795
   0.81966688  0.13406181  0.34168433
   0.62197205  0.38572406  0.10856155
   0.89402777  0.31231222  0.16002790
   0.58683503  0.17724742  0.49477062
   0.88423659  0.09615554  0.88401331
   0.61185708  0.44887104  0.61864021
   0.76635578  0.35986840  0.80753549
   0.60801036  0.66153965 -0.00333520
   0.87717345  0.59684214  0.37041038
   0.56543820  0.89110259  0.13263624
   0.82249255  0.83608895  0.24947623
   0.64826906  0.69850314  0.47343193
   0.87287184  0.63548091  0.89247589
   0.62046138  0.93242743  0.63178291
   0.84499131  0.86187834  0.75369991
   0.07768715  0.08103835  0.17095778
   0.32153589  0.19668055  0.28024727
   0.13246638  0.33505853  0.01936384
   0.39853947  0.43235241  0.33810211
   0.53349268  0.31626517  0.19526993
   0.28468126  0.40732173  0.16109848
   0.19241868  0.11970277  0.42544299
  -0.04311851  0.19735754  0.40051388
   0.01456324 -0.02148414  0.51452976
   0.46838069  0.21975835  0.78663008
   0.06204560  0.23843140  0.57343319
   0.34255485  0.44229834  0.85106390
   0.48985585  0.44385310  0.69266253
   0.25162228  0.33450704  0.69086695
   0.24284580  0.17389991 -0.12085246
   0.01710250  0.11167905  0.96069658
   0.13756235  0.58778528  0.08199506
   0.38129234  0.68717005  0.26426338
   0.13082580  0.84590505  0.04757382
   0.32748160  0.93548387  0.34595075
   0.41003545  0.91156640  0.16742565
   0.15806900  0.82343099  0.22304872
   0.31259653  0.65518581  0.44324444
   0.04208501  0.59662932  0.39346391
   0.17490792  0.47426542  0.53782828
   0.34621273  0.67782618  0.75363382
   0.13870115  0.74152448  0.54371347
   0.36919610  0.97343034  0.79091261
   0.45816505  0.89250282  0.63848356
   0.18469270  0.94663296  0.65734780
   0.27639260  0.67018857 -0.05828763
   0.01938840  0.67075619  0.92384899
   0.60315914  0.04944473  0.11071175
   0.83599705  0.19544255  0.23401243
   0.64057056  0.27696123  0.02128355
   0.85143635  0.43420780  0.37240039
   0.03434279  0.40051318  0.19694530
   0.77403018  0.42810516  0.15083709
   0.70116999  0.17223754  0.40668321
   0.45478355  0.11703671  0.44609045
   0.64217053  0.06796469  0.57122673
   0.86674408  0.22642030  0.81755322
   0.59341705  0.33352092  0.52901843
   0.85760901  0.47929144  0.85637117
   1.02563239  0.45134816  0.70196090
   0.73966089  0.38551996  0.69237424
   0.74417097  0.06885986  0.93653068
   0.47602603  0.08153113  0.94910641
   0.55584403  0.52102564  0.05675238
   0.85539171  0.68051118  0.27480649
   0.57303348  0.81166067  0.03307666
   0.82225355  0.96882725  0.31706221
   0.91691828  0.88072207  0.16006031
   0.66328435  0.81980966  0.21609321
   0.80872358  0.70145500  0.45514193
   0.56357394  0.60713380  0.39236671
   0.63971610  0.59218905  0.56469662
   0.81564882  0.72372554  0.80510329
   0.58403337  0.85463966  0.45592416
   0.92609636  0.95837044  0.82972608
   0.94125588  0.82423007  0.66260545
   0.69681227  0.93774335  0.73768374
   0.77303433  0.66635380  0.98320577
   0.53100605  0.63384088  0.88894634
   0.69840586  0.82527487  0.58134031
   0.58125444  0.86817266  0.38968204
   0.89654801  0.23793304  0.06894045
   0.91682608  0.35764458  0.38572952
   0.34505568  0.11857786  0.62384361
   0.26077717  0.73622167  0.74779204
   0.14168541  1.11426210  0.22451148
   0.25497118  1.12122192  0.05109074
   0.63458414  0.34471271  0.85445680
   0.94336295  0.48030575  0.68024751
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.978706   -0.059216   -0.148349
    -0.000000    9.732161   -0.058593
    -0.000000    0.000000   13.979061
   Si   O    H 
    32    64    10
Direct configuration=  2524
   0.16127633  0.17715074 -0.01881953
   0.32829753  0.09028083  0.37327586
   0.14514820  0.43505830  0.11092492
   0.38233923  0.33692709  0.24247310
   0.05734060  0.13558495  0.48202949
   0.39026454  0.11098798  0.85497222
   0.12603058  0.37829891  0.62344555
   0.38298749  0.36365122  0.75626867
   0.14099242  0.69770808 -0.00513831
   0.41021283  0.59362629  0.35852547
   0.07168215  0.91657127  0.14419667
   0.31423905  0.83653892  0.24944844
   0.16570569  0.60966606  0.47735766
   0.36974832  0.60216950  0.85558741
   0.06834111  0.86833448  0.59540262
   0.33874255  0.99103764  0.67562029
   0.62181264  0.11371670  1.00581871
   0.81926248  0.13517707  0.34139422
   0.62254180  0.38615364  0.10811085
   0.89433063  0.31221660  0.16041067
   0.58549831  0.17787357  0.49386259
   0.88442187  0.09637873  0.88421426
   0.61129681  0.44927765  0.61941133
   0.76654664  0.36153535  0.80887388
   0.60797913  0.66050970 -0.00273805
   0.87825738  0.59626367  0.37145851
   0.56691210  0.89189307  0.13299179
   0.82407383  0.83692224  0.25028762
   0.64762511  0.69780598  0.47377920
   0.87287624  0.63555857  0.89317225
   0.61908444  0.93378559  0.63307010
   0.84446357  0.86163440  0.75434862
   0.07850875  0.08015277  0.17176711
   0.32137144  0.19633717  0.27987892
   0.13198643  0.33359804  0.01856465
   0.39701091  0.43103274  0.33804376
   0.53279649  0.31478023  0.19578566
   0.28657033  0.40887544  0.16155306
   0.19414497  0.11997297  0.42649469
  -0.04346486  0.19593073  0.40169264
   0.01494778 -0.01973609  0.51506318
   0.46721368  0.21840932  0.78616599
   0.06364619  0.23901266  0.57327499
   0.34254457  0.44118098  0.85179895
   0.48749179  0.44291044  0.69242647
   0.25133276  0.33262708  0.68988394
   0.24490058  0.17295535 -0.12013050
   0.01727853  0.11211193  0.96069741
   0.13642937  0.58887291  0.08183413
   0.38211659  0.68601226  0.26471894
   0.13152418  0.84557038  0.04812825
   0.32549203  0.93585251  0.34736993
   0.41120301  0.91194889  0.16647916
   0.15663572  0.82569438  0.22297322
   0.31390559  0.65337667  0.44263071
   0.04296581  0.59493929  0.39331632
   0.17431718  0.47449548  0.53702758
   0.34577788  0.67881261  0.75288904
   0.13832224  0.74196105  0.54388538
   0.37046002  0.97274575  0.78981854
   0.46011277  0.89203431  0.63820802
   0.18396362  0.94741978  0.65726066
   0.27662220  0.67059744 -0.05814654
   0.01947713  0.67118014  0.92440347
   0.60398115  0.04912704  0.10979551
   0.83545802  0.19592622  0.23449987
   0.63939588  0.27907549  0.02067174
   0.85296203  0.43376334  0.37235658
   0.03432629  0.40085708  0.19728529
   0.77485689  0.42823832  0.14998228
   0.70205342  0.17130610  0.40655415
   0.45566757  0.11966343  0.44603375
   0.64055480  0.06992895  0.57250019
   0.86711664  0.22479603  0.81810546
   0.59278768  0.33280312  0.52764088
   0.85511901  0.48034344  0.85626357
   1.02771323  0.45111349  0.70278543
   0.74086434  0.38583538  0.69319492
   0.74429566  0.06977531  0.93701463
   0.47526432  0.08306259  0.94607285
   0.55601937  0.52272610  0.05744974
   0.85531642  0.67990328  0.27394338
   0.57474083  0.80986754  0.03107501
   0.82209930  0.96977980  0.31703858
   0.91610534  0.88211173  0.15960444
   0.66377820  0.81951793  0.21493345
   0.80917412  0.70354496  0.45641249
   0.56256936  0.60603914  0.39260942
   0.63909968  0.59322612  0.56552755
   0.81567721  0.72302367  0.80444057
   0.58614758  0.85508227  0.45657513
   0.92590226  0.96008552  0.82886636
   0.94094809  0.82399864  0.66128345
   0.69739920  0.93886175  0.73878959
   0.77191437  0.66687914  0.98490378
   0.53026931  0.63546409  0.88992059
   0.69250484  0.82750302  0.58425737
   0.58387596  0.87056534  0.38968705
   0.89781667  0.24007488  0.06715604
   0.92071420  0.36442192  0.39236709
   0.34191282  0.11940878  0.62407680
   0.25815699  0.74153787  0.74459158
   0.13627768  1.10872489  0.22379221
   0.25034730  1.12175930  0.05354831
   0.64004659  0.33505397  0.85375747
   0.93399264  0.48333119  0.67732842
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.976983   -0.060256   -0.147197
    -0.000000    9.733079   -0.058866
    -0.000000    0.000000   13.979040
   Si   O    H 
    32    64    10
Direct configuration=  2525
   0.16068264  0.17665528 -0.01874256
   0.32889624  0.09077018  0.37358244
   0.14541090  0.43616308  0.11170949
   0.38293785  0.33736487  0.24328642
   0.05645241  0.13583151  0.48109990
   0.39000974  0.11068811  0.85476623
   0.12594302  0.37744514  0.62312467
   0.38356349  0.36554387  0.75537749
   0.14126388  0.69645265 -0.00473864
   0.41097873  0.59331545  0.35864034
   0.07243032  0.91765067  0.14505199
   0.31409908  0.83456642  0.24938679
   0.16652872  0.61067415  0.47690031
   0.36817335  0.60262959  0.85530317
   0.06766549  0.86801723  0.59640963
   0.33916660  0.99139782  0.67501907
   0.62221215  0.11395579  1.00545483
   0.81930624  0.13576857  0.34110798
   0.62262810  0.38633977  0.10796414
   0.89477443  0.31235331  0.16091282
   0.58532465  0.17849408  0.49314960
   0.88478461  0.09657074  0.88483127
   0.61099887  0.44986055  0.62041217
   0.76704655  0.36285085  0.81021196
   0.60805463  0.65928966 -0.00224848
   0.87943053  0.59591442  0.37309885
   0.56896517  0.89375426  0.13342306
   0.82529596  0.83785492  0.25038462
   0.64731912  0.69699566  0.47430547
   0.87274030  0.63540993  0.89402159
   0.61802135  0.93496791  0.63400651
   0.84390959  0.86185919  0.75473006
   0.07923148  0.07908923  0.17241097
   0.32161379  0.19621566  0.27915221
   0.13097853  0.33350828  0.01802151
   0.39569978  0.42981148  0.33834278
   0.53176124  0.31385623  0.19641784
   0.28804449  0.40968892  0.16158022
   0.19647711  0.12003514  0.42777935
  -0.04294215  0.19477192  0.40200349
   0.01595293 -0.01871883  0.51582478
   0.46596528  0.21745964  0.78552849
   0.06484683  0.24091691  0.57294176
   0.34182552  0.43938344  0.85214353
   0.48465664  0.44200601  0.69169500
   0.25138711  0.33153919  0.68946629
   0.24661550  0.17259933 -0.11962910
   0.01696602  0.11212756  0.96037924
   0.13495815  0.59075636  0.08226179
   0.38275156  0.68551052  0.26496100
   0.13184996  0.84542056  0.04825590
   0.32426383  0.93565733  0.34797933
   0.41124933  0.91186985  0.16598765
   0.15583728  0.82837150  0.22308912
   0.31537445  0.65245381  0.44227546
   0.04427228  0.59379496  0.39309801
   0.17351718  0.47486203  0.53600568
   0.34470855  0.67961708  0.75196863
   0.13786470  0.74217890  0.54416974
   0.37134267  0.97266075  0.78885248
   0.46233973  0.89189241  0.63837517
   0.18304035  0.94781934  0.65708229
   0.27828134  0.67058052 -0.05877978
   0.01971210  0.67150043  0.92474896
   0.60521040  0.04928970  0.10877152
   0.83497964  0.19672518  0.23504574
   0.63822140  0.28065927  0.02033712
   0.85380093  0.43332453  0.37229288
   0.03440610  0.40139299  0.19733752
   0.77548647  0.42842862  0.14932554
   0.70134735  0.17011790  0.40660258
   0.45602972  0.12223996  0.44587632
   0.63957142  0.07179284  0.57311748
   0.86744830  0.22351899  0.81851597
   0.59197238  0.33231882  0.52637382
   0.85314568  0.48119411  0.85656978
   1.02971303  0.45147537  0.70337425
   0.74167984  0.38665875  0.69358841
   0.74461681  0.06979952  0.93662264
   0.47635815  0.08407781  0.94352372
   0.55492108  0.52451235  0.05850496
   0.85587526  0.67862631  0.27276368
   0.57605664  0.80825315  0.02925579
   0.82231147  0.97233891  0.31723651
   0.91547678  0.88334144  0.15855584
   0.66462918  0.81926733  0.21336907
   0.80990265  0.70551744  0.45742303
   0.56256436  0.60492958  0.39246915
   0.63971299  0.59386101  0.56658178
   0.81691320  0.72155148  0.80360925
   0.58708157  0.85491077  0.45754735
   0.92556718  0.96170070  0.82780149
   0.94071471  0.82438194  0.66032287
   0.69866400  0.93919892  0.73907036
   0.77023989  0.66680270  0.98627261
   0.52909389  0.63714677  0.89074630
   0.68907601  0.82722574  0.58903822
   0.58740964  0.87190196  0.38666017
   0.90042667  0.24201756  0.06542833
   0.92166878  0.36753869  0.39874899
   0.34058090  0.12109852  0.62428138
   0.26892475  0.73964850  0.74326989
   0.13460638  1.10567891  0.22400224
   0.24799148  1.12026270  0.05632421
   0.64308893  0.32896376  0.85558057
   0.93323452  0.48508225  0.67731669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.975697   -0.060808   -0.146196
    -0.000000    9.734193   -0.059085
    -0.000000    0.000000   13.978803
   Si   O    H 
    32    64    10
Direct configuration=  2526
   0.16003712  0.17536905 -0.01830003
   0.32963675  0.09190142  0.37366069
   0.14620735  0.43654345  0.11239910
   0.38290046  0.33830173  0.24440101
   0.05583634  0.13580013  0.48059507
   0.38998868  0.11026570  0.85450521
   0.12613360  0.37689166  0.62263721
   0.38426699  0.36665676  0.75458346
   0.14128800  0.69559408 -0.00382540
   0.41155783  0.59336071  0.35892018
   0.07362458  0.91816975  0.14583672
   0.31416633  0.83334603  0.24930773
   0.16694677  0.61170381  0.47648180
   0.36667741  0.60328186  0.85527214
   0.06671255  0.86782342  0.59754932
   0.33948945  0.99140239  0.67414992
   0.62204518  0.11467071  1.00486322
   0.82031218  0.13571257  0.34116377
   0.62201019  0.38728432  0.10777204
   0.89513589  0.31255257  0.16159133
   0.58552578  0.17896630  0.49240278
   0.88515969  0.09694140  0.88537998
   0.61047172  0.45036485  0.62125811
   0.76746080  0.36344484  0.81132636
   0.60824597  0.65728041 -0.00212106
   0.88070747  0.59584483  0.37436680
   0.57027855  0.89442292  0.13412223
   0.82605808  0.83870470  0.24997175
   0.64723985  0.69609346  0.47518610
   0.87298016  0.63499147  0.89509512
   0.61729431  0.93624616  0.63506981
   0.84367960  0.86252396  0.75504151
   0.07890315  0.07802440  0.17213030
   0.32071184  0.19538987  0.27862987
   0.12989940  0.33296525  0.01692789
   0.39473222  0.42871550  0.33883856
   0.53154344  0.31385751  0.19686136
   0.28938634  0.41133376  0.16167266
   0.19779729  0.12066755  0.42907351
  -0.04228989  0.19380598  0.40132345
   0.01762413 -0.01791439  0.51626093
   0.46447423  0.21664934  0.78467507
   0.06539738  0.24249754  0.57251666
   0.34076610  0.43754218  0.85240430
   0.48260149  0.44151942  0.69045943
   0.25184272  0.33059960  0.68933568
   0.24744067  0.17226690 -0.11898808
   0.01672181  0.11187402  0.95995659
   0.13416865  0.59343615  0.08393658
   0.38266520  0.68460958  0.26462927
   0.13213244  0.84536963  0.04812725
   0.32285020  0.93429423  0.34801875
   0.41142421  0.91112259  0.16628548
   0.15493257  0.82966934  0.22324186
   0.31639439  0.65098511  0.44163819
   0.04580666  0.59290437  0.39314758
   0.17238855  0.47439307  0.53583454
   0.34300107  0.68063603  0.75112508
   0.13761144  0.74237810  0.54450497
   0.37194204  0.97319627  0.78820840
   0.46364873  0.89190701  0.63875630
   0.18232223  0.94787027  0.65686706
   0.27992195  0.67060676 -0.05939739
   0.01931354  0.67175499  0.92480632
   0.60698104  0.04968909  0.10863406
   0.83496921  0.19825918  0.23568630
   0.63650538  0.28164189  0.02028862
   0.85389857  0.43305908  0.37216787
   0.03411914  0.40142345  0.19670884
   0.77525457  0.42910828  0.14936213
   0.70083800  0.16894191  0.40697138
   0.45557260  0.12540239  0.44565388
   0.63892801  0.07372149  0.57344244
   0.86834749  0.22200896  0.81873473
   0.59125664  0.33264238  0.52539729
   0.85124858  0.48143930  0.85755769
   1.03066593  0.45259554  0.70430217
   0.74186640  0.38746053  0.69386833
   0.74442044  0.06994007  0.93623938
   0.47781935  0.08433426  0.94175906
   0.55408758  0.52635806  0.05956203
   0.85665784  0.67689684  0.27179175
   0.57664725  0.80710210  0.02799283
   0.82286330  0.97383848  0.31800532
   0.91528852  0.88403938  0.15747509
   0.66533220  0.81925384  0.21174723
   0.81041611  0.70715575  0.45802596
   0.56337631  0.60383369  0.39228673
   0.64032375  0.59448194  0.56770593
   0.81847000  0.72041567  0.80344682
   0.58862563  0.85520140  0.45835950
   0.92615742  0.96194739  0.82722650
   0.94024654  0.82524838  0.65963543
   0.69995032  0.94024871  0.73936813
   0.76958021  0.66687621  0.98704482
   0.52756948  0.63900120  0.89178329
   0.68732787  0.82487829  0.59264868
   0.58859044  0.87156466  0.38763847
   0.90735121  0.24389406  0.06463265
   0.91790025  0.37135396  0.40314956
   0.34263851  0.12446947  0.62276250
   0.27670158  0.74144435  0.74287862
   0.14161575  1.10700007  0.22893272
   0.24292915  1.11500398  0.05627591
   0.64674245  0.32330452  0.85522043
   0.94216098  0.47978148  0.67902288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.974314   -0.061370   -0.144900
    -0.000000    9.735632   -0.059017
    -0.000000    0.000000   13.978506
   Si   O    H 
    32    64    10
Direct configuration=  2527
   0.15973329  0.17387603 -0.01778319
   0.33019598  0.09332935  0.37381685
   0.14677778  0.43621899  0.11315463
   0.38297190  0.33950767  0.24560129
   0.05540701  0.13551283  0.48063364
   0.38967223  0.11037980  0.85391153
   0.12614509  0.37679268  0.62278038
   0.38466957  0.36669008  0.75426605
   0.14135563  0.69444570 -0.00277513
   0.41252053  0.59335046  0.35941934
   0.07464989  0.91806029  0.14612793
   0.31474766  0.83316659  0.24927302
   0.16697002  0.61297899  0.47592907
   0.36515343  0.60440262  0.85505100
   0.06603537  0.86771605  0.59832966
   0.33970987  0.99142230  0.67293932
   0.62184094  0.11554977  1.00413134
   0.82158318  0.13553650  0.34114681
   0.62100515  0.38856957  0.10777575
   0.89498230  0.31218385  0.16245503
   0.58662548  0.17928724  0.49170810
   0.88607731  0.09742415  0.88626846
   0.60995912  0.45028629  0.62226536
   0.76724889  0.36369824  0.81196367
   0.60815162  0.65478949 -0.00250398
   0.88195060  0.59654458  0.37555226
   0.57194358  0.89410750  0.13408721
   0.82608994  0.83940989  0.24902169
   0.64731916  0.69568512  0.47620207
   0.87326486  0.63422443  0.89602312
   0.61714897  0.93780464  0.63610195
   0.84316881  0.86274387  0.75469889
   0.07897719  0.07725796  0.17267879
   0.31950564  0.19405362  0.27798171
   0.12812921  0.33290953  0.01559568
   0.39340874  0.42850365  0.33915099
   0.53093182  0.31350617  0.19709706
   0.29016279  0.41356109  0.16209151
   0.19892150  0.12179655  0.43035930
  -0.04178649  0.19243578  0.40065008
   0.01869106 -0.01718066  0.51623786
   0.46287462  0.21653706  0.78379141
   0.06527987  0.24419743  0.57221879
   0.33984795  0.43643789  0.85260385
   0.48192796  0.44150062  0.68857157
   0.25234786  0.32918330  0.68890477
   0.24842360  0.17138106 -0.11864336
   0.01549113  0.11169584  0.95972910
   0.13383337  0.59572276  0.08544421
   0.38256748  0.68459352  0.26386317
   0.13212112  0.84525354  0.04847431
   0.32144467  0.93222020  0.34785520
   0.41123449  0.90992689  0.16697975
   0.15481453  0.83020939  0.22332495
   0.31694534  0.64952156  0.44112830
   0.04785481  0.59214985  0.39309988
   0.17176836  0.47358204  0.53542161
   0.34223394  0.68042448  0.75116401
   0.13734068  0.74289662  0.54463465
   0.37212884  0.97300277  0.78763033
   0.46424591  0.89199276  0.63926012
   0.18214483  0.94768045  0.65729152
   0.28103887  0.67026153 -0.05994464
   0.01940020  0.67128163  0.92443489
   0.60817053  0.05032832  0.10910018
   0.83482356  0.19932546  0.23610187
   0.63495346  0.28212931  0.02057780
   0.85409914  0.43294837  0.37189315
   0.03317351  0.40240957  0.19617346
   0.77515200  0.42889471  0.14974390
   0.70019295  0.16874921  0.40767628
   0.45494116  0.12825545  0.44538603
   0.63816633  0.07619483  0.57382860
   0.86879812  0.22121618  0.81857888
   0.59053945  0.33400998  0.52520635
   0.84939782  0.48164780  0.85856838
   1.03142416  0.45390463  0.70450495
   0.74137340  0.38778346  0.69377739
   0.74390554  0.07003120  0.93659811
   0.48064253  0.08379536  0.94090373
   0.55319987  0.52697203  0.06006796
   0.85661182  0.67529596  0.27146247
   0.57705609  0.80693910  0.02782096
   0.82366262  0.97467058  0.31959638
   0.91438758  0.88494129  0.15635664
   0.66568264  0.81971867  0.21020426
   0.81076867  0.70881315  0.45851310
   0.56474136  0.60357516  0.39289562
   0.64148313  0.59406188  0.56953131
   0.81968216  0.71893296  0.80312243
   0.59054556  0.85573713  0.45850653
   0.92631766  0.96139756  0.82741644
   0.93940040  0.82583129  0.65935567
   0.70126851  0.94054313  0.73944436
   0.77007211  0.66756954  0.98688844
   0.52569353  0.64079522  0.89259099
   0.68706992  0.81646922  0.59509346
   0.58698708  0.86827959  0.39176701
   0.91600601  0.24556427  0.06685409
   0.91881780  0.37867498  0.40506307
   0.34371946  0.12509818  0.62229754
   0.26611693  0.75589821  0.73977860
   0.14194038  1.10368774  0.22935982
   0.23880400  1.10730970  0.05620620
   0.64835960  0.31967407  0.85621501
   0.95006153  0.47342149  0.68202334
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.973230   -0.062084   -0.144148
    -0.000000    9.737157   -0.059078
    -0.000000    0.000000   13.978349
   Si   O    H 
    32    64    10
Direct configuration=  2528
   0.15911432  0.17246288 -0.01712635
   0.32986249  0.09456248  0.37436080
   0.14685245  0.43606023  0.11390948
   0.38317683  0.34072997  0.24636803
   0.05543404  0.13547695  0.48104946
   0.38913977  0.11064051  0.85314897
   0.12555478  0.37658893  0.62281158
   0.38506607  0.36575174  0.75376900
   0.14133007  0.69338868 -0.00202042
   0.41316577  0.59345491  0.35936667
   0.07582542  0.91745299  0.14621057
   0.31547762  0.83389068  0.24960383
   0.16654380  0.61469487  0.47576160
   0.36327397  0.60556224  0.85493963
   0.06477297  0.86786965  0.59863587
   0.33902536  0.99143949  0.67219849
   0.62151231  0.11554771  1.00308529
   0.82285089  0.13589855  0.34156772
   0.61973048  0.39012632  0.10790539
   0.89530049  0.31240449  0.16331308
   0.58846712  0.17969039  0.49101011
   0.88627029  0.09777070  0.88718602
   0.60920077  0.45057167  0.62310209
   0.76695822  0.36337036  0.81252650
   0.60841205  0.65263073 -0.00283187
   0.88307432  0.59804735  0.37687963
   0.57330525  0.89376084  0.13444918
   0.82563205  0.84075013  0.24830927
   0.64766149  0.69611443  0.47686383
   0.87296310  0.63326250  0.89658600
   0.61788113  0.93838596  0.63655871
   0.84253011  0.86272495  0.75402454
   0.07936170  0.07728379  0.17322923
   0.31832284  0.19258568  0.27754914
   0.12662820  0.33314833  0.01450895
   0.39173881  0.42906001  0.33972924
   0.53128205  0.31390946  0.19673548
   0.29114268  0.41539181  0.16272796
   0.19991212  0.12332418  0.43200451
  -0.04167137  0.19157656  0.39894378
   0.01994245 -0.01694221  0.51586750
   0.46177647  0.21690118  0.78270934
   0.06477286  0.24451627  0.57198539
   0.33935973  0.43631869  0.85296392
   0.48171453  0.44264920  0.68667900
   0.25194267  0.32751792  0.68857430
   0.24919454  0.17060572 -0.11788896
   0.01354253  0.11117055  0.95958447
   0.13406541  0.59747439  0.08733850
   0.38169882  0.68463632  0.26331243
   0.13246686  0.84473723  0.04885988
   0.32039132  0.93002530  0.34800023
   0.41082566  0.90837196  0.16750399
   0.15569660  0.83123168  0.22375827
   0.31743994  0.64784911  0.44015093
   0.05015151  0.59235559  0.39376425
   0.17050817  0.47200223  0.53527427
   0.34112228  0.67968291  0.75022885
   0.13627929  0.74325724  0.54481419
   0.37185193  0.97305310  0.78715406
   0.46371069  0.89169146  0.63949400
   0.18194883  0.94747865  0.65798432
   0.28166157  0.66994255 -0.06014381
   0.02034638  0.67088408  0.92420835
   0.60950195  0.05123568  0.10922619
   0.83441305  0.19992761  0.23666743
   0.63355662  0.28239883  0.02116730
   0.85379038  0.43340953  0.37142160
   0.03302691  0.40285420  0.19516359
   0.77439742  0.42784596  0.15024787
   0.69915442  0.16910255  0.40877885
   0.45293824  0.13049704  0.44497596
   0.63694207  0.07864471  0.57452502
   0.86818669  0.22169440  0.81836446
   0.59027743  0.33656450  0.52582408
   0.84824635  0.48206833  0.85979705
   1.03388648  0.45452529  0.70481111
   0.74152261  0.38850769  0.69295227
   0.74330983  0.07002735  0.93663603
   0.48398458  0.08375590  0.94119699
   0.55248808  0.52760939  0.06085886
   0.85688351  0.67511184  0.27197817
   0.57716457  0.80744695  0.02834783
   0.82391942  0.97527157  0.32125703
   0.91361174  0.88566323  0.15579420
   0.66637560  0.82007855  0.20931448
   0.81127797  0.70929534  0.45819672
   0.56674832  0.60287317  0.39303813
   0.64181655  0.59400725  0.57119503
   0.82000714  0.71715426  0.80223589
   0.59229015  0.85610419  0.45908868
   0.92655821  0.96097372  0.82710743
   0.93883051  0.82556073  0.65928121
   0.70127319  0.94092583  0.73938624
   0.77038624  0.66755945  0.98647902
   0.52376047  0.64112093  0.89335195
   0.68668530  0.80990457  0.59917058
   0.58547231  0.86628949  0.39035809
   0.92501820  0.24548979  0.06815267
   0.92336056  0.38266006  0.40845726
   0.34437536  0.12192828  0.62496823
   0.26856565  0.75620479  0.73700900
   0.13829137  1.10152721  0.22409867
   0.23910722  1.10178925  0.05503813
   0.64744598  0.31756110  0.85778964
   0.93521135  0.47318779  0.67716825
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.972175   -0.062644   -0.143410
    -0.000000    9.738957   -0.059079
    -0.000000    0.000000   13.978384
   Si   O    H 
    32    64    10
Direct configuration=  2529
   0.15862113  0.17147619 -0.01644499
   0.32924725  0.09560577  0.37473370
   0.14658078  0.43564634  0.11445722
   0.38312896  0.34137299  0.24663236
   0.05522808  0.13515152  0.48136319
   0.38854507  0.11085406  0.85167937
   0.12446681  0.37644318  0.62297376
   0.38568567  0.36388870  0.75325065
   0.14170662  0.69332026 -0.00132024
   0.41387139  0.59315219  0.35915624
   0.07614537  0.91660620  0.14562717
   0.31605213  0.83398409  0.24980438
   0.16594091  0.61580648  0.47570510
   0.36226283  0.60608121  0.85506254
   0.06391931  0.86802454  0.59908654
   0.33803196  0.99123262  0.67193860
   0.62101547  0.11539550  1.00162883
   0.82409237  0.13665554  0.34174196
   0.61884000  0.39143285  0.10807301
   0.89534533  0.31220398  0.16422846
   0.59065978  0.18005798  0.49022471
   0.88661776  0.09743078  0.88780132
   0.60881394  0.45045127  0.62344142
   0.76707329  0.36243055  0.81270901
   0.60876748  0.65141626 -0.00312933
   0.88464838  0.59981099  0.37837985
   0.57456199  0.89274826  0.13399959
   0.82494535  0.84228525  0.24754102
   0.64833773  0.69697814  0.47757848
   0.87206153  0.63244769  0.89678362
   0.61843625  0.93855233  0.63700380
   0.84185514  0.86302451  0.75367008
   0.07920738  0.07796224  0.17381793
   0.31849945  0.19053792  0.27732371
   0.12612850  0.33417273  0.01426586
   0.39100207  0.42987014  0.34062758
   0.53179510  0.31441823  0.19577248
   0.29205645  0.41690315  0.16337995
   0.20050521  0.12484139  0.43306666
  -0.04138683  0.19148630  0.39735026
   0.02121502 -0.01709364  0.51582643
   0.45992480  0.21755725  0.78168923
   0.06401407  0.24476987  0.57128335
   0.33969119  0.43659881  0.85361198
   0.48152943  0.44389244  0.68457992
   0.25150795  0.32618199  0.68909772
   0.24878503  0.16984797 -0.11689242
   0.01147038  0.10995857  0.95966892
   0.13399309  0.59905211  0.08931951
   0.38099696  0.68392577  0.26321043
   0.13272503  0.84431273  0.04921476
   0.31966761  0.92785648  0.34778966
   0.41045769  0.90723424  0.16856820
   0.15653595  0.83214333  0.22415376
   0.31784001  0.64597179  0.43943028
   0.05270424  0.59266801  0.39418172
   0.16894634  0.47109420  0.53498750
   0.33929267  0.67829393  0.74923042
   0.13456604  0.74422082  0.54557902
   0.37066988  0.97328753  0.78659665
   0.46301156  0.89142987  0.63970277
   0.18210024  0.94746781  0.65929536
   0.28181909  0.67026187 -0.05971449
   0.02100470  0.67071127  0.92393069
   0.61083569  0.05137450  0.10923327
   0.83396328  0.20044700  0.23735871
   0.63268002  0.28247362  0.02193436
   0.85317150  0.43521378  0.37166548
   0.03214258  0.40250403  0.19442213
   0.77285501  0.42625320  0.15008804
   0.69807404  0.16915639  0.40989315
   0.45066855  0.13293156  0.44418271
   0.63611465  0.08044592  0.57532674
   0.86716139  0.22254101  0.81765224
   0.59046898  0.34032772  0.52694457
   0.84753265  0.48248238  0.86158090
   1.03596711  0.45436830  0.70515690
   0.74103050  0.38931443  0.69231767
   0.74194237  0.06869928  0.93742882
   0.48738490  0.08322754  0.94213153
   0.55154814  0.52833338  0.06193023
   0.85725632  0.67605766  0.27242237
   0.57719508  0.80815211  0.02934711
   0.82409523  0.97506422  0.32272062
   0.91311850  0.88585262  0.15512244
   0.66661629  0.82037993  0.20803637
   0.81163990  0.70982983  0.45804719
   0.56965102  0.60307677  0.39366485
   0.64214204  0.59386586  0.57272115
   0.82013009  0.71483292  0.80174029
   0.59475810  0.85608172  0.45969785
   0.92727155  0.96067115  0.82625277
   0.93779133  0.82505535  0.65928783
   0.70018373  0.94127950  0.73944115
   0.77081597  0.66706749  0.98594482
   0.52174526  0.64113689  0.89422548
   0.68722954  0.80714399  0.60213672
   0.57854182  0.86213461  0.38733696
   0.93049864  0.24963331  0.07091884
   0.92551699  0.38957280  0.41275194
   0.34483561  0.11977926  0.62749788
   0.27699572  0.74740983  0.73558592
   0.14166670  1.10287409  0.22235588
   0.23963419  1.09810884  0.05563242
   0.64203729  0.32016584  0.85870677
   0.92863593  0.46968268  0.67879472
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.970986   -0.063651   -0.142720
    -0.000000    9.740728   -0.059346
    -0.000000    0.000000   13.978081
   Si   O    H 
    32    64    10
Direct configuration=  2530
   0.15810143  0.17139538 -0.01564119
   0.32935002  0.09615370  0.37489569
   0.14652334  0.43469840  0.11456975
   0.38318833  0.34149917  0.24635185
   0.05515050  0.13525202  0.48201934
   0.38833465  0.11100819  0.85073870
   0.12319992  0.37633722  0.62298000
   0.38687086  0.36272077  0.75258946
   0.14181766  0.69394750 -0.00063691
   0.41457570  0.59286793  0.35882976
   0.07629337  0.91490528  0.14500235
   0.31640393  0.83392637  0.25034115
   0.16515605  0.61701238  0.47584691
   0.36189562  0.60603947  0.85498110
   0.06319476  0.86878993  0.59900964
   0.33715082  0.99098515  0.67212168
   0.62072878  0.11576270  1.00041135
   0.82568514  0.13670827  0.34178077
   0.61833727  0.39287084  0.10842009
   0.89497327  0.31219646  0.16470696
   0.59287885  0.18045397  0.48984163
   0.88680178  0.09700653  0.88760712
   0.60918627  0.45011157  0.62375357
   0.76752836  0.36072637  0.81263652
   0.60903638  0.65038553 -0.00321256
   0.88701680  0.60141322  0.37931362
   0.57501413  0.89170177  0.13311603
   0.82441604  0.84360606  0.24664399
   0.64902734  0.69769124  0.47805763
   0.87084765  0.63235961  0.89678799
   0.61911409  0.93810882  0.63723025
   0.84138175  0.86302540  0.75339770
   0.07880329  0.07907804  0.17384345
   0.31858755  0.18922694  0.27663137
   0.12645537  0.33592097  0.01447086
   0.39034019  0.43097972  0.34168079
   0.53210531  0.31497818  0.19480416
   0.29364512  0.41738641  0.16411340
   0.20152777  0.12644993  0.43388888
  -0.04099662  0.19134670  0.39622841
   0.02154730 -0.01790374  0.51592516
   0.45876844  0.21850306  0.78059291
   0.06313839  0.24572447  0.56999089
   0.34005654  0.43708528  0.85426103
   0.48031675  0.44561721  0.68271701
   0.25174604  0.32437623  0.68944634
   0.24696516  0.17025330 -0.11591158
   0.00959899  0.10857087  0.95987151
   0.13385245  0.59960834  0.09122367
   0.38022501  0.68262349  0.26255204
   0.13186798  0.84360697  0.04925791
   0.31835817  0.92652121  0.34766292
   0.41019561  0.90641756  0.16935694
   0.15761247  0.83288637  0.22430588
   0.31777888  0.64490635  0.43913692
   0.05523483  0.59245027  0.39405399
   0.16727536  0.47105359  0.53460692
   0.33783150  0.67587158  0.74939596
   0.13260364  0.74546867  0.54628487
   0.37013773  0.97406729  0.78574541
   0.46146268  0.89116433  0.63942085
   0.18158697  0.94759964  0.66054045
   0.28172584  0.67082091 -0.05979724
   0.02146186  0.67058391  0.92355896
   0.61249655  0.05066601  0.10916806
   0.83315281  0.20142161  0.23826397
   0.63222256  0.28243013  0.02249853
   0.85248014  0.43678028  0.37189138
   0.03159780  0.40281919  0.19382486
   0.77117983  0.42505475  0.14956613
   0.69772075  0.16983379  0.40999765
   0.44882848  0.13419828  0.44344659
   0.63526335  0.08285918  0.57645993
   0.86607137  0.22428987  0.81630810
   0.59027181  0.34380443  0.52847132
   0.84735235  0.48255755  0.86355745
   1.03728157  0.45465587  0.70546748
   0.74010708  0.39069003  0.69193460
   0.74070284  0.06755276  0.93777273
   0.49022971  0.08367542  0.94265782
   0.55035602  0.52932705  0.06263783
   0.85733175  0.67814265  0.27357535
   0.57677808  0.80880899  0.03099592
   0.82502019  0.97449974  0.32367831
   0.91210948  0.88598626  0.15479844
   0.66737024  0.82089414  0.20696207
   0.81247626  0.70974697  0.45820100
   0.57221715  0.60373711  0.39460856
   0.64246980  0.59430574  0.57402432
   0.82092533  0.71285615  0.80182993
   0.59748246  0.85649844  0.46017586
   0.92900443  0.96060450  0.82552063
   0.93653575  0.82474526  0.65974377
   0.69869367  0.94231344  0.73970707
   0.77179262  0.66667729  0.98545510
   0.52018440  0.64117966  0.89494105
   0.68684124  0.80965329  0.60427241
   0.57363227  0.85630744  0.39119572
   0.93081597  0.25199975  0.07344500
   0.92082095  0.39731397  0.41260362
   0.34336439  0.12450674  0.62946310
   0.27711802  0.74613473  0.73385114
   0.15511248  1.10655658  0.22497333
   0.24058233  1.09542860  0.05522988
   0.63364343  0.32508643  0.85885832
   0.93720541  0.46341522  0.68479135
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.969781   -0.063970   -0.141992
    -0.000000    9.742197   -0.059039
    -0.000000    0.000000   13.977842
   Si   O    H 
    32    64    10
Direct configuration=  2531
   0.15856141  0.17191092 -0.01509358
   0.32978400  0.09655451  0.37471425
   0.14623390  0.43366407  0.11457468
   0.38283604  0.34217283  0.24568709
   0.05516854  0.13530695  0.48261614
   0.38830177  0.11109113  0.84999062
   0.12209054  0.37647774  0.62325929
   0.38748799  0.36177891  0.75225813
   0.14217529  0.69496778  0.00003431
   0.41526416  0.59236996  0.35858309
   0.07597790  0.91339719  0.14461802
   0.31596756  0.83407453  0.25051849
   0.16409580  0.61830447  0.47590505
   0.36183534  0.60568914  0.85497524
   0.06308143  0.86993152  0.59910195
   0.33627863  0.99036512  0.67234707
   0.62029698  0.11575910  0.99969116
   0.82703879  0.13745353  0.34178687
   0.61832523  0.39423374  0.10890014
   0.89509112  0.31230886  0.16546685
   0.59474225  0.18096049  0.48969628
   0.88696740  0.09618138  0.88757021
   0.61003894  0.44971265  0.62361931
   0.76826087  0.35901158  0.81289146
   0.60917907  0.65001667 -0.00321434
   0.88990503  0.60365724  0.38002641
   0.57532732  0.89062088  0.13221898
   0.82335007  0.84510635  0.24575601
   0.64953016  0.69831119  0.47824231
   0.86938447  0.63222843  0.89653461
   0.61964446  0.93778950  0.63717182
   0.84078065  0.86328772  0.75318843
   0.07825162  0.08018824  0.17438972
   0.31906953  0.18850426  0.27647784
   0.12744675  0.33679040  0.01531539
   0.38945658  0.43193781  0.34282583
   0.53199168  0.31592079  0.19377492
   0.29497997  0.41825662  0.16481282
   0.20136181  0.12782952  0.43520878
  -0.04027802  0.19118151  0.39457882
   0.02197898 -0.01892413  0.51645994
   0.45715852  0.21977542  0.77984847
   0.06245103  0.24579558  0.56909075
   0.34043685  0.43765591  0.85478550
   0.47862096  0.44702983  0.68080387
   0.25154461  0.32265943  0.68947304
   0.24526576  0.17151774 -0.11455133
   0.00747310  0.10754247  0.96032808
   0.13390606  0.59859169  0.09285889
   0.37937104  0.68158510  0.26161537
   0.13172408  0.84307887  0.04908799
   0.31714171  0.92575735  0.34727117
   0.41012547  0.90519599  0.17033620
   0.15870021  0.83311238  0.22497716
   0.31792613  0.64439434  0.43913315
   0.05674159  0.59200171  0.39398881
   0.16605119  0.47172425  0.53447744
   0.33745914  0.67277669  0.75003719
   0.13114671  0.74654380  0.54674945
   0.36954385  0.97481920  0.78539952
   0.46025469  0.89129089  0.63938353
   0.18085476  0.94800094  0.66192469
   0.28113902  0.67159730 -0.05881074
   0.02219354  0.66960959  0.92331100
   0.61410370  0.04932441  0.10871047
   0.83218855  0.20247948  0.23924941
   0.63130048  0.28200723  0.02296639
   0.85172001  0.43921404  0.37229517
   0.03087731  0.40227933  0.19281408
   0.77044297  0.42431444  0.14945242
   0.69709384  0.17129697  0.40963094
   0.44742806  0.13471839  0.44292087
   0.63402797  0.08500884  0.57784746
   0.86508454  0.22576218  0.81464336
   0.59066099  0.34672923  0.52927726
   0.84783167  0.48093596  0.86529852
   1.03813433  0.45515620  0.70520897
   0.73978481  0.39172578  0.69188268
   0.74071663  0.06653749  0.93813905
   0.49231714  0.08439552  0.94260300
   0.54996946  0.53010521  0.06334603
   0.85748669  0.68024489  0.27461284
   0.57691183  0.80960294  0.03258771
   0.82641581  0.97277854  0.32442035
   0.91090315  0.88575600  0.15466640
   0.66916002  0.82076757  0.20625868
   0.81377312  0.71020392  0.45822844
   0.57469411  0.60508284  0.39531775
   0.64272681  0.59534838  0.57496637
   0.82150137  0.71161514  0.80166671
   0.60020173  0.85694237  0.46120762
   0.93090430  0.96101454  0.82536279
   0.93524569  0.82471566  0.66019768
   0.69741102  0.94238241  0.73962691
   0.77300886  0.66560563  0.98527308
   0.51867292  0.64085940  0.89517111
   0.68502709  0.81139420  0.60580291
   0.56735885  0.85236221  0.39667100
   0.92709701  0.25422992  0.07610184
   0.91905768  0.40106600  0.41322467
   0.34308636  0.12749569  0.62954524
   0.27336273  0.74804444  0.73310199
   0.15972793  1.10620165  0.22192671
   0.23983493  1.09196271  0.05409308
   0.62927884  0.33327989  0.85730156
   0.95284292  0.45520660  0.68992804
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.968701   -0.064124   -0.140994
    -0.000000    9.743437   -0.059140
    -0.000000    0.000000   13.977653
   Si   O    H 
    32    64    10
Direct configuration=  2532
   0.15865345  0.17296986 -0.01471017
   0.33009490  0.09609553  0.37423334
   0.14611929  0.43334012  0.11431473
   0.38279771  0.34240526  0.24520687
   0.05583537  0.13528543  0.48289901
   0.38864634  0.11091083  0.84960591
   0.12172136  0.37639592  0.62437424
   0.38743018  0.36085235  0.75197054
   0.14191047  0.69597384  0.00075971
   0.41670042  0.59230504  0.35821842
   0.07495419  0.91283754  0.14448785
   0.31582154  0.83393293  0.25027796
   0.16289355  0.62035586  0.47595832
   0.36217031  0.60554425  0.85510028
   0.06278641  0.87140691  0.59906796
   0.33586090  0.98951404  0.67269706
   0.62002305  0.11507407  0.99959079
   0.82823900  0.13807042  0.34217028
   0.61836017  0.39521003  0.10942530
   0.89477080  0.31259630  0.16644330
   0.59636351  0.18215808  0.48929376
   0.88732787  0.09556800  0.88679991
   0.61168561  0.44950820  0.62346471
   0.76875045  0.35758018  0.81312208
   0.60971051  0.65047584 -0.00357885
   0.89261741  0.60613747  0.38043701
   0.57544412  0.88997651  0.13159621
   0.82229733  0.84607843  0.24510866
   0.65010733  0.69865823  0.47794870
   0.86816559  0.63218296  0.89621365
   0.61970851  0.93703862  0.63709114
   0.84062086  0.86378758  0.75314020
   0.07783746  0.08158452  0.17452496
   0.31968296  0.18749448  0.27643189
   0.12813985  0.33771300  0.01675905
   0.38767071  0.43283817  0.34418108
   0.53142657  0.31693361  0.19304324
   0.29686928  0.41883049  0.16549139
   0.20085942  0.12979254  0.43643381
  -0.03909408  0.19146885  0.39332224
   0.02178779 -0.02047333  0.51663041
   0.45528753  0.22085747  0.77935381
   0.06091101  0.24574961  0.56849912
   0.34145895  0.43755188  0.85471980
   0.47703327  0.44814556  0.67980197
   0.25093114  0.32096186  0.68956246
   0.24458661  0.17219196 -0.11355958
   0.00586920  0.10724318  0.96088363
   0.13370798  0.59747314  0.09443380
   0.37922000  0.67940613  0.26140562
   0.13144017  0.84312940  0.04868159
   0.31628313  0.92584568  0.34764715
   0.41063785  0.90343274  0.17142493
   0.15998534  0.83359149  0.22519201
   0.31815873  0.64401002  0.43939038
   0.05770678  0.59133606  0.39431079
   0.16499819  0.47282303  0.53371744
   0.33662257  0.67041526  0.75070404
   0.13052158  0.74713275  0.54680449
   0.36845021  0.97525933  0.78551537
   0.45881427  0.89228931  0.63918494
   0.17991055  0.94816424  0.66366837
   0.28030752  0.67149060 -0.05733519
   0.02339274  0.66841978  0.92327892
   0.61625146  0.04751941  0.10819773
   0.83131128  0.20377545  0.23956438
   0.63011561  0.28106175  0.02329713
   0.85105889  0.44199854  0.37261485
   0.03019510  0.40176834  0.19205416
   0.76960891  0.42355811  0.14934965
   0.69672674  0.17297834  0.40861580
   0.44672669  0.13587606  0.44273384
   0.63259340  0.08706556  0.57867516
   0.86442091  0.22666612  0.81309468
   0.59101633  0.34955754  0.52993271
   0.84813186  0.47866082  0.86694847
   1.04085315  0.45598311  0.70513403
   0.73966657  0.39239632  0.69204246
   0.74184289  0.06467372  0.93857021
   0.49322998  0.08508096  0.94192388
   0.54833588  0.53054883  0.06404848
   0.85780110  0.68244197  0.27580132
   0.57733527  0.81075560  0.03447206
   0.82732186  0.97002908  0.32530537
   0.90988594  0.88554669  0.15382774
   0.67097880  0.82050627  0.20572198
   0.81553275  0.71049334  0.45839532
   0.57639603  0.60678342  0.39635117
   0.64272012  0.59682626  0.57497772
   0.82159051  0.71120279  0.80149727
   0.60194987  0.85727705  0.46159457
   0.93238478  0.96142496  0.82596273
   0.93395186  0.82507213  0.66067639
   0.69731916  0.94277708  0.73997243
   0.77463605  0.66430506  0.98541995
   0.51694426  0.64005595  0.89542805
   0.68111860  0.80933373  0.60559812
   0.55953560  0.85165003  0.39843211
   0.92169018  0.25268263  0.07683139
   0.91978765  0.39959039  0.41641158
   0.34394552  0.12759853  0.62880669
   0.27520333  0.74114670  0.73458391
   0.15469994  1.10572841  0.21462530
   0.23730117  1.09197077  0.05057286
   0.63212515  0.34388431  0.85362351
   0.93858834  0.45099328  0.69413728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.967337   -0.064369   -0.140321
    -0.000000    9.744462   -0.059368
    -0.000000    0.000000   13.977617
   Si   O    H 
    32    64    10
Direct configuration=  2533
   0.15846558  0.17440920 -0.01472424
   0.33014042  0.09496148  0.37369410
   0.14637649  0.43348679  0.11401747
   0.38274090  0.34213715  0.24450866
   0.05628711  0.13444365  0.48338366
   0.38954752  0.11123973  0.84959936
   0.12168552  0.37655662  0.62528799
   0.38675853  0.36001469  0.75111174
   0.14195700  0.69645643  0.00129872
   0.41793700  0.59229147  0.35787862
   0.07357905  0.91242847  0.14432961
   0.31566633  0.83364184  0.25024434
   0.16218611  0.62266626  0.47567774
   0.36251585  0.60532255  0.85529615
   0.06262115  0.87242978  0.59929310
   0.33570176  0.98890144  0.67302848
   0.62002760  0.11539087  0.99996108
   0.82916302  0.13825792  0.34288008
   0.61817771  0.39623200  0.11035867
   0.89413810  0.31315244  0.16762065
   0.59643277  0.18302358  0.48939400
   0.88793338  0.09528899  0.88578368
   0.61385353  0.44919193  0.62298561
   0.76886179  0.35608255  0.81323527
   0.60955421  0.65085622 -0.00386876
   0.89484577  0.60794953  0.38062677
   0.57540277  0.88982662  0.13143282
   0.82158579  0.84661167  0.24486178
   0.65085175  0.69898840  0.47782091
   0.86728606  0.63225528  0.89641988
   0.61965623  0.93631360  0.63664362
   0.84060471  0.86442802  0.75334310
   0.07774713  0.08265123  0.17487807
   0.32024789  0.18561187  0.27623785
   0.12943310  0.33799539  0.01782950
   0.38584516  0.43307027  0.34532917
   0.52973141  0.31782747  0.19207245
   0.29813106  0.41918926  0.16556905
   0.20036491  0.13170100  0.43764190
  -0.03768193  0.19154502  0.39288833
   0.02214720 -0.02242546  0.51657439
   0.45393392  0.22190067  0.77851792
   0.05973829  0.24632653  0.56770832
   0.34245021  0.43658275  0.85509694
   0.47524254  0.44970823  0.67919715
   0.24986169  0.31927718  0.69003391
   0.24474756  0.17274582 -0.11214140
   0.00564129  0.10722116  0.96213847
   0.13491515  0.59594716  0.09541850
   0.37970412  0.67779229  0.26151797
   0.13067291  0.84416553  0.04772611
   0.31599208  0.92581544  0.34842026
   0.41118744  0.90134817  0.17191889
   0.16016266  0.83319781  0.22567587
   0.31774751  0.64405139  0.44013750
   0.05800033  0.59160200  0.39515890
   0.16410633  0.47361984  0.53310679
   0.33587703  0.66722227  0.75101982
   0.13011908  0.74739126  0.54696504
   0.36771680  0.97703428  0.78655693
   0.45743472  0.89301505  0.63910401
   0.17816671  0.94795420  0.66538521
   0.27939607  0.67145017 -0.05600208
   0.02434137  0.66627150  0.92381152
   0.61817996  0.04636828  0.10733471
   0.83060484  0.20586998  0.23953633
   0.63034453  0.28023626  0.02390665
   0.85004408  0.44422563  0.37332534
   0.02981376  0.40128199  0.19162317
   0.76883318  0.42324625  0.14965230
   0.69760203  0.17433753  0.40724029
   0.44727502  0.13684730  0.44269332
   0.63102245  0.08831334  0.57974154
   0.86421389  0.22753024  0.81217375
   0.59161427  0.35214791  0.53021721
   0.84852194  0.47610346  0.86866513
   1.04289153  0.45618596  0.70503192
   0.73909431  0.39238562  0.69242053
   0.74341345  0.06218361  0.93847328
   0.49271167  0.08587788  0.94093575
   0.54789797  0.53097655  0.06437180
   0.85760232  0.68521932  0.27663142
   0.57796156  0.81110963  0.03601399
   0.82793043  0.96747522  0.32658098
   0.90901040  0.88548321  0.15305579
   0.67257689  0.82014584  0.20571846
   0.81756387  0.71063446  0.45843064
   0.57782488  0.60801561  0.39732219
   0.64289619  0.59839804  0.57530290
   0.82200343  0.71086933  0.80156144
   0.60434423  0.85740872  0.46181019
   0.93337974  0.96165054  0.82596464
   0.93277752  0.82491022  0.66106279
   0.69706207  0.94281323  0.74062037
   0.77584516  0.66349466  0.98592226
   0.51588964  0.63887688  0.89529550
   0.67889286  0.81083607  0.60540271
   0.54918149  0.85200460  0.39990499
   0.91271382  0.24524285  0.07398452
   0.91810242  0.39815376  0.41616131
   0.34602298  0.12496405  0.62663271
   0.27382263  0.73838856  0.73679776
   0.15145399  1.10665264  0.20921876
   0.23678182  1.08992278  0.04606977
   0.63607817  0.35342042  0.85032679
   0.93161095  0.44876983  0.70055392
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.966230   -0.063729   -0.139095
    -0.000000    9.745738   -0.059394
    -0.000000    0.000000   13.978003
   Si   O    H 
    32    64    10
Direct configuration=  2534
   0.15878811  0.17631786 -0.01486982
   0.32950172  0.09375652  0.37278926
   0.14693131  0.43304315  0.11384479
   0.38324070  0.34105245  0.24431101
   0.05662725  0.13321898  0.48349450
   0.39036216  0.11195798  0.84950136
   0.12178590  0.37588023  0.62635071
   0.38579536  0.35886676  0.75081953
   0.14211902  0.69610273  0.00197891
   0.41953828  0.59292762  0.35776386
   0.07183965  0.91215127  0.14445573
   0.31506814  0.83301880  0.24994688
   0.16165327  0.62397867  0.47547557
   0.36313679  0.60491189  0.85584772
   0.06288764  0.87296217  0.59967012
   0.33571098  0.98882958  0.67368593
   0.62062306  0.11623173  1.00044154
   0.83005112  0.13809419  0.34320521
   0.61818811  0.39719342  0.11102445
   0.89367178  0.31413712  0.16845510
   0.59600573  0.18414996  0.48936055
   0.88845946  0.09495313  0.88475046
   0.61575766  0.44872050  0.62255047
   0.76907388  0.35494205  0.81322423
   0.60953242  0.65197692 -0.00409575
   0.89705823  0.61006328  0.38064078
   0.57487945  0.89012292  0.13135262
   0.82011756  0.84672992  0.24523218
   0.65110400  0.69965939  0.47787845
   0.86674369  0.63173582  0.89599217
   0.61881962  0.93544948  0.63614873
   0.84062837  0.86522424  0.75348452
   0.07600147  0.08409482  0.17415829
   0.32122340  0.18319291  0.27586784
   0.13151543  0.33816809  0.01867000
   0.38430346  0.43220512  0.34592659
   0.52862924  0.31849218  0.19128631
   0.29887915  0.42057849  0.16538150
   0.19964465  0.13306064  0.43883984
  -0.03585785  0.19203691  0.39286040
   0.02210967 -0.02415448  0.51651533
   0.45284584  0.22199378  0.77740036
   0.05827529  0.24724613  0.56687401
   0.34353863  0.43552201  0.85463832
   0.47392558  0.45038273  0.67938289
   0.24884556  0.31695195  0.69064697
   0.24503685  0.17308326 -0.11043100
   0.00578555  0.10819008  0.96382746
   0.13539704  0.59403069  0.09654970
   0.38044659  0.67658539  0.26147501
   0.12941867  0.84548750  0.04664882
   0.31701566  0.92621851  0.34916601
   0.41238179  0.89976224  0.17198423
   0.15926264  0.83325894  0.22602476
   0.31722132  0.64358887  0.44016571
   0.05854029  0.59280010  0.39531851
   0.16367689  0.47483979  0.53323176
   0.33510816  0.66464831  0.75116229
   0.12972602  0.74698738  0.54671472
   0.36737294  0.97825810  0.78788027
   0.45622614  0.89371222  0.63863465
   0.17582121  0.94742365  0.66709581
   0.27938737  0.67124087 -0.05464357
   0.02494496  0.66393001  0.92414872
   0.62044462  0.04548933  0.10662656
   0.83026303  0.20808631  0.23955446
   0.63095584  0.27961649  0.02453853
   0.84892494  0.44630465  0.37429561
   0.02933443  0.39997472  0.19147873
   0.76835708  0.42204223  0.14952196
   0.69912149  0.17564004  0.40554530
   0.44883564  0.13751783  0.44285035
   0.62901895  0.08867927  0.58082828
   0.86403159  0.22794211  0.81183879
   0.59220531  0.35403836  0.52972187
   0.84871144  0.47370730  0.87020332
   1.04353181  0.45649038  0.70476905
   0.73920831  0.39297175  0.69225722
   0.74424706  0.05970876  0.93839964
   0.49152790  0.08611316  0.93988690
   0.54784713  0.53164991  0.06478041
   0.85688833  0.68824796  0.27808850
   0.57875764  0.81083843  0.03703754
   0.82927383  0.96511174  0.32807945
   0.90828207  0.88478921  0.15191688
   0.67397764  0.81938488  0.20541996
   0.81968179  0.71085062  0.45814172
   0.57932094  0.60913479  0.39763144
   0.64232677  0.59953357  0.57561888
   0.82341027  0.71019419  0.80203398
   0.60619745  0.85740305  0.46157640
   0.93394456  0.96111230  0.82572834
   0.93151990  0.82517371  0.66192628
   0.69754404  0.94385863  0.74095974
   0.77535831  0.66256587  0.98647696
   0.51461338  0.63735823  0.89550695
   0.68221034  0.80739820  0.60473921
   0.54151705  0.85464845  0.40800836
   0.90682399  0.23722211  0.07264977
   0.91303894  0.39621741  0.41122578
   0.34853570  0.11991747  0.62464889
   0.26800558  0.73910661  0.73745410
   0.16531919  1.11540150  0.20934546
   0.23633366  1.08432662  0.04423362
   0.63252336  0.36176118  0.85155438
   0.93479326  0.44896592  0.70605636
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965584   -0.062441   -0.137531
    -0.000000    9.747300   -0.059761
    -0.000000    0.000000   13.978466
   Si   O    H 
    32    64    10
Direct configuration=  2535
   0.15905481  0.17800153 -0.01471138
   0.32869426  0.09246331  0.37215062
   0.14820539  0.43292788  0.11374667
   0.38434974  0.33945210  0.24446234
   0.05717258  0.13219629  0.48350496
   0.39076621  0.11323302  0.84960345
   0.12243798  0.37501612  0.62725594
   0.38455460  0.35871866  0.75054829
   0.14258979  0.69521803  0.00203667
   0.42187971  0.59278223  0.35764429
   0.07008691  0.91162377  0.14458730
   0.31468740  0.83242789  0.24964858
   0.16139246  0.62473236  0.47533327
   0.36431041  0.60459269  0.85658156
   0.06245345  0.87342132  0.59999739
   0.33486752  0.98843238  0.67436112
   0.62091850  0.11735086  1.00113885
   0.83095390  0.13753596  0.34357273
   0.61772266  0.39791627  0.11098586
   0.89331009  0.31466674  0.16929931
   0.59502366  0.18496184  0.48901045
   0.88923802  0.09428767  0.88337469
   0.61731387  0.44902303  0.62208872
   0.76877561  0.35424304  0.81333573
   0.60959991  0.65335674 -0.00432335
   0.89902101  0.61212120  0.38065988
   0.57400077  0.89017978  0.13193540
   0.81937500  0.84604354  0.24578328
   0.65182491  0.69943519  0.47791914
   0.86675243  0.63121636  0.89527305
   0.61811820  0.93469990  0.63568286
   0.84109783  0.86578738  0.75388129
   0.07509926  0.08398977  0.17330302
   0.32319928  0.18070468  0.27556947
   0.13360587  0.33754642  0.01921408
   0.38277253  0.43091955  0.34595033
   0.52792139  0.31961912  0.19076713
   0.29953188  0.42159993  0.16489302
   0.19985543  0.13375782  0.44022690
  -0.03457180  0.19224943  0.39322916
   0.02123311 -0.02568359  0.51616937
   0.45165505  0.22153122  0.77605267
   0.05793248  0.24806190  0.56591660
   0.34460675  0.43471498  0.85362754
   0.47336162  0.45068989  0.68064256
   0.24756368  0.31517884  0.69131568
   0.24476583  0.17340055 -0.10929067
   0.00614653  0.10900366  0.96593508
   0.13570028  0.59229877  0.09725699
   0.38185704  0.67501128  0.26203742
   0.12750275  0.84741748  0.04554630
   0.31862299  0.92680902  0.35029038
   0.41409451  0.89935188  0.17181653
   0.15873299  0.83312407  0.22592514
   0.31654693  0.64298201  0.44062665
   0.05811264  0.59398098  0.39489550
   0.16373865  0.47669042  0.53296788
   0.33493217  0.66270320  0.75091407
   0.13060162  0.74586859  0.54692996
   0.36769062  0.97907660  0.79016491
   0.45514712  0.89472011  0.63815801
   0.17399704  0.94626266  0.66850223
   0.28010723  0.67103260 -0.05370574
   0.02555256  0.66212160  0.92384709
   0.62223715  0.04428515  0.10569791
   0.82942197  0.21036260  0.23922519
   0.63121082  0.28016032  0.02565533
   0.84659050  0.44848593  0.37518608
   0.02866065  0.39880572  0.19170004
   0.76819041  0.42194747  0.14962506
   0.70150167  0.17669295  0.40371476
   0.45056475  0.13803753  0.44277460
   0.62767727  0.08871109  0.58198666
   0.86371413  0.22783366  0.81172081
   0.59226626  0.35520988  0.52899804
   0.84810619  0.47199140  0.87169698
   1.04252509  0.45637424  0.70456434
   0.73921871  0.39390155  0.69193857
   0.74567831  0.05864862  0.93823486
   0.48964834  0.08594085  0.93917038
   0.54715408  0.53294927  0.06531319
   0.85665158  0.69089092  0.27949981
   0.57909618  0.81049727  0.03717213
   0.83044832  0.96330566  0.32989170
   0.90865538  0.88443250  0.15084392
   0.67500229  0.81861524  0.20518429
   0.82131357  0.71050506  0.45806845
   0.57987619  0.61024178  0.39683369
   0.64215726  0.60082871  0.57615454
   0.82425923  0.71038560  0.80211536
   0.60744946  0.85787904  0.46168345
   0.93400742  0.96055868  0.82509195
   0.93039545  0.82519317  0.66223566
   0.69798175  0.94503567  0.74091807
   0.77458945  0.66133094  0.98666011
   0.51408353  0.63637297  0.89562360
   0.68610932  0.80571335  0.60268292
   0.53295866  0.85922061  0.41456901
   0.90054495  0.23253528  0.07417294
   0.91040579  0.39312924  0.40908224
   0.35003929  0.11199815  0.62262340
   0.26533914  0.73528035  0.73890385
   0.16882370  1.12090586  0.20714537
   0.23930877  1.08004583  0.04288188
   0.63068909  0.36579406  0.85364525
   0.95061245  0.45171428  0.70983402
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.965035   -0.060410   -0.136073
    -0.000000    9.748230   -0.059851
    -0.000000    0.000000   13.979324
   Si   O    H 
    32    64    10
Direct configuration=  2536
   0.15991136  0.18010013 -0.01464562
   0.32747822  0.09128401  0.37196325
   0.14961928  0.43301618  0.11374734
   0.38593152  0.33780740  0.24536178
   0.05795200  0.13115314  0.48306909
   0.39033995  0.11424075  0.85007487
   0.12319909  0.37407197  0.62752490
   0.38281653  0.35864435  0.75021474
   0.14306950  0.69398884  0.00216347
   0.42396186  0.59232504  0.35786776
   0.06841936  0.91138077  0.14416491
   0.31444343  0.83165044  0.24949158
   0.16097693  0.62549100  0.47579581
   0.36550258  0.60387315  0.85750536
   0.06234550  0.87414376  0.60032052
   0.33398150  0.98798753  0.67447189
   0.62177921  0.11888616  1.00215302
   0.83173952  0.13640306  0.34381789
   0.61757843  0.39833048  0.11098790
   0.89282989  0.31466124  0.16968703
   0.59409003  0.18608245  0.48864252
   0.88951409  0.09374956  0.88235110
   0.61886486  0.44901877  0.62148962
   0.76784681  0.35374638  0.81288833
   0.60966930  0.65550433 -0.00484368
   0.89997589  0.61466332  0.38037402
   0.57253346  0.89081251  0.13232593
   0.81888995  0.84506725  0.24674730
   0.65258036  0.69858086  0.47826853
   0.86616038  0.63080741  0.89471932
   0.61702763  0.93355055  0.63481090
   0.84137111  0.86579685  0.75440647
   0.07524016  0.08331193  0.17261522
   0.32456499  0.17953995  0.27464700
   0.13564538  0.33713157  0.02004364
   0.38078834  0.42975007  0.34548525
   0.52740829  0.32044365  0.19095308
   0.30024552  0.42134981  0.16424772
   0.20056885  0.13450156  0.44084780
  -0.03335548  0.19333475  0.39385774
   0.01951368 -0.02643251  0.51545946
   0.45099798  0.21912177  0.77493948
   0.05737225  0.24874374  0.56524871
   0.34507655  0.43366261  0.85284057
   0.47314762  0.45093636  0.68168997
   0.24613277  0.31332741  0.69210838
   0.24446069  0.17392257 -0.10888227
   0.00601988  0.11067513  0.96789942
   0.13549953  0.59103735  0.09744913
   0.38338380  0.67366722  0.26261694
   0.12629724  0.84936479  0.04558147
   0.32103674  0.92752902  0.35191819
   0.41585428  0.89929855  0.17222092
   0.15821025  0.83268592  0.22604547
   0.31569250  0.64287450  0.44124882
   0.05741402  0.59465988  0.39383309
   0.16326355  0.47902264  0.53295645
   0.33437227  0.66113416  0.75028909
   0.13186307  0.74507403  0.54722313
   0.36870560  0.97906984  0.79182065
   0.45383715  0.89510917  0.63762145
   0.17295571  0.94494359  0.66953529
   0.28051984  0.67168987 -0.05314796
   0.02506799  0.65964136  0.92307034
   0.62437461  0.04290255  0.10483174
   0.82836960  0.21198907  0.23933529
   0.63218847  0.27972819  0.02634521
   0.84464813  0.45104685  0.37628147
   0.02800435  0.39698107  0.19207590
   0.76802063  0.42212081  0.14953065
   0.70380836  0.17753136  0.40194039
   0.45194929  0.13882053  0.44310112
   0.62651550  0.08866152  0.58302567
   0.86392724  0.22752345  0.81149799
   0.59149499  0.35580951  0.52786260
   0.84777693  0.46952832  0.87304439
   1.04202136  0.45741751  0.70403809
   0.73935772  0.39418423  0.69175990
   0.74815741  0.05727728  0.93814070
   0.48851361  0.08593279  0.93810099
   0.54638339  0.53505565  0.06590981
   0.85672825  0.69325902  0.28074974
   0.57930366  0.80989073  0.03733112
   0.83185693  0.96122073  0.33218172
   0.90859481  0.88374914  0.15002350
   0.67458983  0.81780816  0.20529173
   0.82257276  0.71078285  0.45777251
   0.58009120  0.61216132  0.39556167
   0.64245143  0.60271720  0.57662787
   0.82483048  0.71119103  0.80226381
   0.60845363  0.85840834  0.46159550
   0.93382111  0.95982796  0.82474209
   0.93039135  0.82597554  0.66200863
   0.69908288  0.94648776  0.74077855
   0.77336509  0.66137595  0.98705018
   0.51460186  0.63561426  0.89646955
   0.68976050  0.80425369  0.60034297
   0.52812928  0.86605298  0.42161615
   0.89347776  0.23238953  0.07801568
   0.91035369  0.38772438  0.40741713
   0.35241880  0.10677375  0.62129302
   0.26674791  0.72877418  0.74236255
   0.16214564  1.12137443  0.20095952
   0.24389693  1.08162762  0.04195898
   0.63208946  0.36704250  0.85702620
   0.95057764  0.45534230  0.71184529
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.964210   -0.059429   -0.134696
    -0.000000    9.748773   -0.060378
    -0.000000    0.000000   13.980424
   Si   O    H 
    32    64    10
Direct configuration=  2537
   0.16060775  0.18233740 -0.01504289
   0.32603365  0.09069296  0.37254395
   0.15118625  0.43325480  0.11404667
   0.38697506  0.33686949  0.24648840
   0.05849850  0.13076942  0.48308845
   0.38990501  0.11478584  0.85063234
   0.12433348  0.37380022  0.62701383
   0.38083798  0.35901698  0.75000578
   0.14324605  0.69268720  0.00184743
   0.42616199  0.59111241  0.35840944
   0.06662191  0.91184644  0.14385032
   0.31477127  0.83090690  0.24949526
   0.16110744  0.62619035  0.47635143
   0.36685585  0.60342434  0.85852325
   0.06231797  0.87471899  0.60079806
   0.33284401  0.98747571  0.67501739
   0.62276200  0.12019497  1.00330441
   0.83199068  0.13490572  0.34364653
   0.61747391  0.39828382  0.11122567
   0.89238150  0.31413326  0.16948417
   0.59371783  0.18746772  0.48843683
   0.88956172  0.09270047  0.88167851
   0.61977236  0.44905446  0.62112881
   0.76708868  0.35369611  0.81204133
   0.60903594  0.65790501 -0.00520111
   0.90095447  0.61662426  0.37999346
   0.57109744  0.89099761  0.13254585
   0.81873747  0.84417849  0.24802250
   0.65349226  0.69791651  0.47852256
   0.86591569  0.63044548  0.89429363
   0.61589727  0.93174603  0.63378721
   0.84163391  0.86562734  0.75471263
   0.07484139  0.08266500  0.17221809
   0.32588811  0.17891733  0.27388220
   0.13790888  0.33722463  0.02107708
   0.37959539  0.42923488  0.34462226
   0.52644445  0.32207849  0.19111589
   0.30072631  0.42057085  0.16403755
   0.20234494  0.13503303  0.44083155
  -0.03251964  0.19448031  0.39469098
   0.01832135 -0.02657617  0.51494911
   0.45072096  0.21622879  0.77360918
   0.05695842  0.24948350  0.56444680
   0.34489414  0.43344549  0.85200638
   0.47302022  0.45092516  0.68245616
   0.24547273  0.31067777  0.69231165
   0.24449030  0.17501518 -0.10913448
   0.00611982  0.11231948  0.96924636
   0.13557572  0.59072988  0.09709155
   0.38477747  0.67297980  0.26284127
   0.12542290  0.85130666  0.04585369
   0.32321258  0.92810159  0.35364762
   0.41724543  0.89913192  0.17255107
   0.15798556  0.83167968  0.22547473
   0.31493056  0.64274877  0.44109420
   0.05710195  0.59544789  0.39239668
   0.16277870  0.48078320  0.53301775
   0.33433364  0.65870063  0.74923987
   0.13310215  0.74457372  0.54769276
   0.36950945  0.97783774  0.79265344
   0.45329072  0.89495870  0.63720770
   0.17240457  0.94406419  0.67125324
   0.28103851  0.67144222 -0.05285019
   0.02451437  0.65759594  0.92247073
   0.62652172  0.04227514  0.10399745
   0.82692713  0.21333884  0.23976642
   0.63293831  0.28035358  0.02685048
   0.84293598  0.45354010  0.37736305
   0.02808530  0.39506350  0.19198745
   0.76782480  0.42220410  0.14952308
   0.70602144  0.17820894  0.40011827
   0.45342366  0.13922961  0.44348372
   0.62548510  0.08886114  0.58372094
   0.86358531  0.22644728  0.81180514
   0.59078218  0.35486227  0.52663424
   0.84785096  0.46726159  0.87371734
   1.04162178  0.45877092  0.70347475
   0.73960240  0.39417034  0.69195210
   0.75082975  0.05627092  0.93802327
   0.48763051  0.08543580  0.93690060
   0.54602953  0.53690732  0.06682018
   0.85725724  0.69579199  0.28221028
   0.57907731  0.80856873  0.03683980
   0.83328188  0.95963727  0.33458890
   0.90887456  0.88372941  0.14936987
   0.67378420  0.81669844  0.20588894
   0.82317732  0.71030907  0.45777955
   0.57955891  0.61421381  0.39434713
   0.64260099  0.60358690  0.57700194
   0.82582056  0.71268460  0.80241466
   0.60935515  0.85822297  0.46093930
   0.93411786  0.95910925  0.82485082
   0.93015270  0.82663096  0.66159293
   0.69992999  0.94739066  0.74130965
   0.77307537  0.66125850  0.98762076
   0.51520404  0.63488092  0.89726390
   0.69127549  0.80885157  0.59970062
   0.52274218  0.87167457  0.42950198
   0.88972587  0.23321429  0.08477730
   0.91164669  0.38349464  0.40458694
   0.35319706  0.10699837  0.61985921
   0.26146086  0.72537523  0.74488498
   0.15215247  1.11846359  0.19309204
   0.24607263  1.08640504  0.04289842
   0.63441958  0.36709248  0.85865342
   0.93808751  0.45652344  0.71324887
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963703   -0.058167   -0.132986
    -0.000000    9.750264   -0.061216
    -0.000000    0.000000   13.981316
   Si   O    H 
    32    64    10
Direct configuration=  2538
   0.16082630  0.18413491 -0.01492607
   0.32474072  0.09044796  0.37311515
   0.15342279  0.43362665  0.11440792
   0.38777976  0.33572822  0.24757083
   0.05924049  0.12942923  0.48309620
   0.38927774  0.11539629  0.85126544
   0.12515418  0.37373718  0.62632494
   0.37866963  0.35916863  0.74955606
   0.14350583  0.69174604  0.00155940
   0.42764223  0.58984224  0.35896895
   0.06508510  0.91201514  0.14353801
   0.31542243  0.83000003  0.24965779
   0.16211955  0.62622018  0.47700750
   0.36795108  0.60250684  0.85938303
   0.06161787  0.87456497  0.60153745
   0.33138974  0.98677458  0.67557137
   0.62349935  0.12087216  1.00410936
   0.83195063  0.13371376  0.34368198
   0.61722160  0.39835247  0.11156999
   0.89210247  0.31417580  0.16902212
   0.59356535  0.18937195  0.48790030
   0.88981163  0.09223109  0.88126192
   0.62035552  0.44945393  0.62073367
   0.76607834  0.35330241  0.81097321
   0.60840118  0.66074079 -0.00565883
   0.90195691  0.61847551  0.37965883
   0.56928675  0.89172365  0.13256404
   0.81863720  0.84400597  0.24888690
   0.65477009  0.69723206  0.47895886
   0.86625436  0.63036567  0.89393966
   0.61587294  0.93015404  0.63286365
   0.84236338  0.86494234  0.75491022
   0.07422085  0.08105136  0.17117537
   0.32693178  0.17865555  0.27273654
   0.14040122  0.33790477  0.02228911
   0.37877036  0.42839191  0.34368169
   0.52538674  0.32357622  0.19124957
   0.30094910  0.41926863  0.16367028
   0.20544064  0.13543101  0.44026778
  -0.03135875  0.19477618  0.39559942
   0.01717320 -0.02561449  0.51419329
   0.45061318  0.21365588  0.77290197
   0.05662792  0.25018756  0.56453871
   0.34475326  0.43290071  0.85141620
   0.47309632  0.45175541  0.68279674
   0.24491830  0.30887613  0.69204982
   0.24503289  0.17545708 -0.11014258
   0.00578599  0.11405805  0.97059924
   0.13646829  0.59100480  0.09672865
   0.38627458  0.67231981  0.26340117
   0.12468167  0.85236242  0.04555734
   0.32539815  0.92831775  0.35603233
   0.41909356  0.89885473  0.17305414
   0.15786367  0.83084670  0.22502890
   0.31499658  0.64247622  0.44123583
   0.05805917  0.59704897  0.39067806
   0.16245242  0.48202007  0.53405637
   0.33459425  0.65604372  0.74846420
   0.13378604  0.74429915  0.54839010
   0.36986047  0.97704701  0.79283326
   0.45333968  0.89430357  0.63662328
   0.17235382  0.94301385  0.67287341
   0.28152540  0.67063422 -0.05269019
   0.02397413  0.65637171  0.92170883
   0.62870685  0.04147722  0.10304997
   0.82496845  0.21411927  0.24076738
   0.63379255  0.28104168  0.02741575
   0.84140059  0.45561815  0.37817558
   0.02904571  0.39296068  0.19186645
   0.76765874  0.42275930  0.14951578
   0.70730452  0.17791853  0.39836502
   0.45456027  0.13923212  0.44352351
   0.62492882  0.08938098  0.58477054
   0.86355045  0.22568481  0.81243594
   0.59096203  0.35421048  0.52516460
   0.84802245  0.46539222  0.87444321
   1.04047679  0.46003594  0.70286390
   0.74023128  0.39488808  0.69257111
   0.75370953  0.05555314  0.93822871
   0.48744154  0.08480028  0.93641155
   0.54527786  0.53810937  0.06758597
   0.85834891  0.69771238  0.28392945
   0.57827104  0.80677178  0.03593684
   0.83543157  0.95753847  0.33670183
   0.90952495  0.88343771  0.14916518
   0.67312560  0.81560175  0.20666226
   0.82359434  0.70951717  0.45768427
   0.57887359  0.61592313  0.39291044
   0.64274393  0.60387089  0.57736649
   0.82689494  0.71580693  0.80205437
   0.61040908  0.85826148  0.46043964
   0.93387178  0.95857033  0.82466857
   0.93028617  0.82742564  0.66100310
   0.70050272  0.94946695  0.74164172
   0.77278193  0.66108136  0.98830116
   0.51700993  0.63444388  0.89838318
   0.69186225  0.81404457  0.59934430
   0.51682866  0.87455137  0.43614431
   0.88728260  0.23414075  0.08975790
   0.90812677  0.38846001  0.40004243
   0.35476198  0.10924151  0.61828908
   0.26071605  0.71999254  0.74621504
   0.15774149  1.12188077  0.19063642
   0.24869922  1.09193533  0.04536502
   0.63546290  0.36354868  0.85912924
   0.93635638  0.45761601  0.71247599
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.963026   -0.057404   -0.130755
    -0.000000    9.751867   -0.062027
    -0.000000    0.000000   13.981845
   Si   O    H 
    32    64    10
Direct configuration=  2539
   0.16131849  0.18486833 -0.01481038
   0.32421130  0.09042007  0.37379380
   0.15509857  0.43337949  0.11503234
   0.38794799  0.33531990  0.24840566
   0.05953339  0.12813276  0.48312930
   0.38827909  0.11548674  0.85176345
   0.12617376  0.37386512  0.62538174
   0.37684185  0.35927625  0.74896410
   0.14383411  0.69100716  0.00167326
   0.42811898  0.58891878  0.36009772
   0.06440785  0.91288261  0.14326090
   0.31670978  0.82885284  0.24969410
   0.16298627  0.62547689  0.47797685
   0.36912531  0.60231485  0.86021047
   0.06072512  0.87436883  0.60237397
   0.33006594  0.98590484  0.67595976
   0.62400928  0.12189058  1.00455382
   0.83198836  0.13255788  0.34346904
   0.61687089  0.39886133  0.11146863
   0.89202415  0.31395237  0.16857701
   0.59337813  0.19092359  0.48786240
   0.89039001  0.09256786  0.88126192
   0.62044283  0.44937346  0.62051023
   0.76482989  0.35337368  0.80975640
   0.60734274  0.66247952 -0.00606323
   0.90319334  0.61971773  0.37947217
   0.56839935  0.89173548  0.13279945
   0.81891184  0.84398896  0.24965531
   0.65648560  0.69694102  0.47920437
   0.86604411  0.63006796  0.89403692
   0.61593949  0.92883256  0.63254910
   0.84325909  0.86392097  0.75495450
   0.07295474  0.07865010  0.17014605
   0.32834634  0.17869916  0.27155927
   0.14326838  0.33889911  0.02313032
   0.37886646  0.42688187  0.34276799
   0.52481850  0.32454492  0.19132346
   0.30070993  0.41735429  0.16330666
   0.20914883  0.13522208  0.44018142
  -0.03089570  0.19416589  0.39696862
   0.01658174 -0.02466766  0.51384222
   0.45022362  0.21174754  0.77192679
   0.05668172  0.25057104  0.56521024
   0.34480751  0.43204132  0.85082279
   0.47312545  0.45263673  0.68356731
   0.24454245  0.30734520  0.69138511
   0.24656105  0.17598839 -0.11141862
   0.00540038  0.11567043  0.97186445
   0.13742980  0.59155784  0.09680674
   0.38686617  0.67291915  0.26404010
   0.12472790  0.85306952  0.04522589
   0.32819824  0.92781742  0.35812312
   0.42088403  0.89875956  0.17424069
   0.15741683  0.82979005  0.22476070
   0.31524952  0.64199484  0.44130304
   0.05980451  0.59860526  0.38886752
   0.16229878  0.48233954  0.53560862
   0.33549279  0.65361937  0.74785560
   0.13428639  0.74440004  0.54886926
   0.36959586  0.97649964  0.79265706
   0.45337654  0.89257864  0.63555415
   0.17272657  0.94227338  0.67410209
   0.28166564  0.67019551 -0.05300118
   0.02334377  0.65591047  0.92116529
   0.63025320  0.04014117  0.10230587
   0.82409765  0.21464889  0.24269044
   0.63389912  0.28193894  0.02787010
   0.84022559  0.45782752  0.37854051
   0.03014727  0.39094711  0.19155972
   0.76724337  0.42522938  0.14899860
   0.70810059  0.17809808  0.39709486
   0.45579171  0.13890652  0.44352939
   0.62457835  0.09025721  0.58575362
   0.86441757  0.22464393  0.81329721
   0.59121576  0.35349651  0.52408056
   0.84867065  0.46351300  0.87476973
   1.03834591  0.46049805  0.70210060
   0.74097126  0.39603661  0.69281865
   0.75582432  0.05439899  0.93890776
   0.48757557  0.08385501  0.93617364
   0.54568044  0.53889442  0.06838346
   0.86007117  0.69895197  0.28587731
   0.57776459  0.80531615  0.03500536
   0.83750983  0.95570662  0.33800129
   0.90987337  0.88246934  0.14926199
   0.67241764  0.81507380  0.20732310
   0.82321506  0.70825720  0.45726158
   0.57851458  0.61703725  0.39110918
   0.64346510  0.60433068  0.57814371
   0.82834467  0.71838810  0.80145568
   0.61051234  0.85853920  0.45943024
   0.93398181  0.95700985  0.82387676
   0.93022472  0.82871539  0.66073055
   0.70138136  0.95151007  0.74164464
   0.77238778  0.66063506  0.98851613
   0.51893338  0.63408311  0.89961741
   0.69008542  0.81557190  0.59939668
   0.51651222  0.87701071  0.44148162
   0.88503903  0.22958920  0.08780158
   0.90388821  0.39331751  0.39597309
   0.35351810  0.11253605  0.61664827
   0.26065377  0.71748619  0.74702962
   0.16616010  1.12711696  0.19072818
   0.25212107  1.09576715  0.04920984
   0.63414758  0.35705903  0.85983370
   0.94459230  0.45620880  0.70886349
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961766   -0.057345   -0.128281
    -0.000000    9.753772   -0.063411
    -0.000000    0.000000   13.982453
   Si   O    H 
    32    64    10
Direct configuration=  2540
   0.16129839  0.18511519 -0.01447194
   0.32423895  0.09185037  0.37402721
   0.15690410  0.43269867  0.11616581
   0.38841735  0.33507435  0.24945722
   0.05972034  0.12706767  0.48282223
   0.38685083  0.11599568  0.85251328
   0.12697141  0.37429913  0.62405604
   0.37559003  0.35950289  0.74812328
   0.14451230  0.69008468  0.00159586
   0.42738342  0.58775103  0.36162166
   0.06374209  0.91352965  0.14326074
   0.31800592  0.82888716  0.25033344
   0.16472668  0.62470751  0.47882500
   0.37055818  0.60236915  0.86043941
   0.06005129  0.87491252  0.60286969
   0.32861731  0.98502314  0.67647670
   0.62452209  0.12224943  1.00451278
   0.83308451  0.13111374  0.34313347
   0.61627922  0.39891212  0.11110583
   0.89193183  0.31399321  0.16759042
   0.59305663  0.19274227  0.48783499
   0.89152308  0.09290090  0.88180857
   0.62036785  0.44883125  0.62017862
   0.76346483  0.35382167  0.80865146
   0.60662949  0.66359363 -0.00602709
   0.90426739  0.62034248  0.37907607
   0.56848821  0.89166627  0.13274754
   0.81909205  0.84371974  0.25016357
   0.65782190  0.69692189  0.47980070
   0.86603017  0.62953926  0.89430916
   0.61554892  0.92752970  0.63261093
   0.84401553  0.86309961  0.75516055
   0.07170963  0.07662239  0.16924124
   0.32969833  0.17854468  0.27030090
   0.14654402  0.34071586  0.02422572
   0.37976397  0.42539551  0.34274125
   0.52475301  0.32566130  0.19089442
   0.30077794  0.41546187  0.16322638
   0.21172341  0.13526983  0.44055270
  -0.03054954  0.19369612  0.39836173
   0.01632584 -0.02368114  0.51318172
   0.44976221  0.21061644  0.77117217
   0.05631207  0.25064633  0.56589355
   0.34480948  0.43073903  0.85019625
   0.47403880  0.45307432  0.68416601
   0.24371509  0.30638159  0.69055239
   0.24848559  0.17729658 -0.11293992
   0.00506766  0.11723792  0.97254103
   0.13796264  0.59255921  0.09626707
   0.38720507  0.67386988  0.26405366
   0.12454175  0.85384419  0.04461438
   0.33106737  0.92676242  0.35958789
   0.42215074  0.89896878  0.17496082
   0.15682831  0.82907026  0.22458465
   0.31482569  0.64181137  0.44117986
   0.06210865  0.59964911  0.38750573
   0.16168680  0.48200127  0.53754037
   0.33700048  0.65142260  0.74790179
   0.13537199  0.74559852  0.54948908
   0.37018344  0.97618216  0.79225993
   0.45251603  0.89037792  0.63502603
   0.17199129  0.94148183  0.67534380
   0.28169756  0.66984664 -0.05335566
   0.02351227  0.65616467  0.92148296
   0.63127694  0.03866081  0.10205454
   0.82311803  0.21467589  0.24429306
   0.63425235  0.28243258  0.02840398
   0.83846724  0.46049405  0.37837008
   0.03211061  0.38962454  0.19142236
   0.76708066  0.42760915  0.14832514
   0.70820093  0.17853903  0.39705342
   0.45667616  0.13748052  0.44247732
   0.62515351  0.09141366  0.58584582
   0.86577578  0.22359636  0.81416296
   0.59170209  0.35241633  0.52309071
   0.84843970  0.46198425  0.87496098
   1.03613533  0.46066833  0.70115051
   0.74244650  0.39690039  0.69300381
   0.75712851  0.05383962  0.93932138
   0.48862058  0.08270868  0.93618615
   0.54683924  0.53938859  0.06902429
   0.86174064  0.69951911  0.28722784
   0.57660205  0.80465289  0.03412636
   0.83962417  0.95540748  0.33894485
   0.91001251  0.88171073  0.14972923
   0.67134211  0.81453030  0.20746645
   0.82243385  0.70682040  0.45782167
   0.57795165  0.61743253  0.38969746
   0.64380423  0.60527369  0.57859234
   0.82907980  0.72071983  0.80066507
   0.61043810  0.85829472  0.45901071
   0.93374549  0.95592956  0.82403265
   0.93049924  0.82910726  0.66001162
   0.70202219  0.95320649  0.74140656
   0.77162862  0.65942753  0.98865604
   0.52055799  0.63467443  0.90011345
   0.69124831  0.81458778  0.60090388
   0.51995618  0.88079902  0.44744553
   0.88410315  0.22558294  0.08140014
   0.90797931  0.39027449  0.39421186
   0.34388623  0.11418852  0.61826226
   0.26000531  0.71787931  0.74882965
   0.16402893  1.12661534  0.18949486
   0.25351052  1.09775432  0.05277220
   0.63504710  0.35375828  0.86115285
   0.94142327  0.45763168  0.70601185
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960820   -0.056652   -0.126298
    -0.000000    9.755320   -0.065034
    -0.000000    0.000000   13.983005
   Si   O    H 
    32    64    10
Direct configuration=  2541
   0.16100012  0.18475133 -0.01421828
   0.32503461  0.09309077  0.37441393
   0.15817724  0.43156179  0.11718821
   0.38905617  0.33426478  0.25031787
   0.06024454  0.12633211  0.48244554
   0.38607374  0.11657552  0.85280727
   0.12724485  0.37508174  0.62285262
   0.37485729  0.35956413  0.74750951
   0.14483033  0.68929819  0.00110668
   0.42595065  0.58606436  0.36291463
   0.06323816  0.91381932  0.14342262
   0.31966628  0.82820961  0.25127928
   0.16580548  0.62414790  0.47986298
   0.37100705  0.60232371  0.86025400
   0.05998685  0.87520557  0.60321051
   0.32734268  0.98461693  0.67687939
   0.62488020  0.12207810  1.00434529
   0.83391385  0.13013178  0.34345454
   0.61611788  0.39920558  0.11046910
   0.89088943  0.31415960  0.16682789
   0.59280581  0.19384707  0.48764877
   0.89246461  0.09296446  0.88305105
   0.62030584  0.44861638  0.62013321
   0.76232002  0.35379845  0.80776860
   0.60578537  0.66362301 -0.00597972
   0.90487151  0.62103503  0.37876354
   0.56873335  0.89138148  0.13299015
   0.81953807  0.84304195  0.25007532
   0.65893920  0.69697871  0.48036406
   0.86605144  0.62908919  0.89417498
   0.61586946  0.92696062  0.63263669
   0.84445802  0.86282891  0.75488650
   0.07091359  0.07537081  0.16861503
   0.33152562  0.17826060  0.26937853
   0.14983063  0.34239004  0.02510678
   0.38061435  0.42479023  0.34367406
   0.52413785  0.32649765  0.19047869
   0.30108778  0.41357119  0.16317722
   0.21335667  0.13524719  0.44119336
  -0.03027140  0.19327315  0.39939219
   0.01619846 -0.02218177  0.51266309
   0.44928229  0.21060430  0.77020145
   0.05563164  0.25001018  0.56648582
   0.34395675  0.43008673  0.85011494
   0.47514404  0.45264618  0.68525509
   0.24275789  0.30591158  0.69027211
   0.25097458  0.17816877 -0.11405703
   0.00463774  0.11874970  0.97325381
   0.13782759  0.59343323  0.09578860
   0.38809502  0.67587596  0.26406170
   0.12424877  0.85334468  0.04408790
   0.33333673  0.92615919  0.36036505
   0.42286620  0.89947173  0.17556988
   0.15647535  0.82873807  0.22430411
   0.31559810  0.64181466  0.44063585
   0.06358911  0.60057112  0.38652348
   0.16104520  0.48100072  0.53976342
   0.33835539  0.65004336  0.74830607
   0.13687525  0.74773403  0.55015086
   0.36937282  0.97547334  0.79169455
   0.45181076  0.88820032  0.63390125
   0.17084616  0.94133836  0.67718931
   0.28145703  0.66922978 -0.05455448
   0.02395813  0.65654962  0.92144678
   0.63206392  0.03857469  0.10239667
   0.82291212  0.21381661  0.24545618
   0.63498565  0.28239938  0.02817449
   0.83764759  0.46307631  0.37803470
   0.03394276  0.38893840  0.19125032
   0.76747546  0.43005440  0.14722300
   0.70671430  0.17866337  0.39808882
   0.45792469  0.13628460  0.44087754
   0.62560651  0.09318428  0.58579371
   0.86804968  0.22335850  0.81520189
   0.59112816  0.35143369  0.52236430
   0.84875964  0.46076343  0.87525419
   1.03404112  0.46039671  0.70033657
   0.74339785  0.39785719  0.69357610
   0.75749314  0.05320936  0.93959826
   0.48975208  0.08196309  0.93664700
   0.54762598  0.54011112  0.07018181
   0.86338615  0.70051560  0.28888415
   0.57569651  0.80467740  0.03359504
   0.84157480  0.95499395  0.33973085
   0.90913864  0.88123848  0.15017016
   0.66932818  0.81470532  0.20785501
   0.82187017  0.70565408  0.45831670
   0.57742586  0.61746938  0.38846350
   0.64388674  0.60563005  0.57881701
   0.83023323  0.72211376  0.80010825
   0.60971558  0.85863785  0.45924954
   0.93402442  0.95507319  0.82425801
   0.93068585  0.82977639  0.65923738
   0.70301676  0.95399895  0.74112138
   0.77063291  0.65889589  0.98863475
   0.52245154  0.63459913  0.90021922
   0.69059152  0.81148713  0.60307765
   0.51440185  0.88704486  0.45128335
   0.88633719  0.22612759  0.07682465
   0.90990899  0.38874682  0.39259397
   0.33249224  0.11112905  0.61909394
   0.26372234  0.71746096  0.75059043
   0.15220546  1.11860331  0.18651919
   0.25756506  1.10769161  0.05586875
   0.63234058  0.35058308  0.86292599
   0.93750006  0.45931966  0.70157837
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959925   -0.055919   -0.124298
    -0.000000    9.757038   -0.066436
    -0.000000    0.000000   13.983318
   Si   O    H 
    32    64    10
Direct configuration=  2542
   0.16055291  0.18457280 -0.01381031
   0.32614159  0.09399119  0.37436422
   0.15866912  0.43020759  0.11821071
   0.38993687  0.33372524  0.25121565
   0.06052751  0.12556029  0.48190635
   0.38593573  0.11628582  0.85298070
   0.12717403  0.37614518  0.62173271
   0.37435997  0.35890262  0.74688296
   0.14446343  0.68819234  0.00076169
   0.42386322  0.58480145  0.36412310
   0.06319489  0.91403761  0.14348798
   0.32110422  0.82793910  0.25227532
   0.16711716  0.62287142  0.48071003
   0.37138854  0.60258948  0.85988986
   0.05957193  0.87537380  0.60393734
   0.32659686  0.98433884  0.67750561
   0.62532349  0.12164193  1.00378079
   0.83440721  0.12853957  0.34399159
   0.61640280  0.39961103  0.11006824
   0.88978600  0.31450890  0.16606965
   0.59268986  0.19390235  0.48737993
   0.89302343  0.09330177  0.88437246
   0.61988705  0.44863957  0.62058648
   0.76134271  0.35406897  0.80720829
   0.60534290  0.66319878 -0.00576892
   0.90504322  0.62144538  0.37873172
   0.56910541  0.89143205  0.13296931
   0.82032293  0.84224649  0.24977626
   0.65967211  0.69708040  0.48063982
   0.86635988  0.62883930  0.89443530
   0.61552316  0.92707445  0.63239703
   0.84527184  0.86289269  0.75443235
   0.06990402  0.07347408  0.16753821
   0.33319330  0.17777176  0.26842722
   0.15282740  0.34344442  0.02484564
   0.38063973  0.42406281  0.34494975
   0.52367639  0.32669599  0.19049005
   0.30181920  0.41159705  0.16360832
   0.21330632  0.13562154  0.44213288
  -0.03006564  0.19238624  0.40042537
   0.01621514 -0.02063845  0.51272249
   0.44860767  0.21105468  0.76905645
   0.05464685  0.24900860  0.56672643
   0.34342225  0.43027112  0.85012995
   0.47702656  0.45152490  0.68544967
   0.24250790  0.30664917  0.68925996
   0.25251108  0.17970815 -0.11403454
   0.00523078  0.12067491  0.97403005
   0.13819419  0.59412444  0.09534076
   0.38865939  0.67694106  0.26412570
   0.12440663  0.85359630  0.04345569
   0.33517220  0.92558776  0.36045849
   0.42229096  0.90022052  0.17571370
   0.15710245  0.82857762  0.22401378
   0.31700844  0.64176830  0.44071094
   0.06432271  0.60069477  0.38611920
   0.16027145  0.47948883  0.54116659
   0.33997272  0.64886184  0.74919535
   0.13711158  0.74943093  0.55091225
   0.36920293  0.97522277  0.79058332
   0.45142913  0.88715364  0.63265098
   0.16946012  0.94138722  0.67865630
   0.28095444  0.66842239 -0.05566238
   0.02384124  0.65701862  0.92138646
   0.63191128  0.03858016  0.10261113
   0.82295937  0.21257909  0.24649764
   0.63490953  0.28244272  0.02796056
   0.83698138  0.46581915  0.37852777
   0.03579526  0.38853662  0.19117575
   0.76840726  0.43206661  0.14643937
   0.70389070  0.17826278  0.39951337
   0.45910591  0.13477528  0.43947894
   0.62554760  0.09534549  0.58596353
   0.87004295  0.22318760  0.81668266
   0.59041888  0.34983048  0.52186577
   0.84886928  0.46036282  0.87596502
   1.03193954  0.46021055  0.70003216
   0.74445648  0.39882949  0.69397773
   0.75721250  0.05298249  0.94016253
   0.49128239  0.08130783  0.93661837
   0.54831809  0.54097020  0.07152438
   0.86612123  0.70159560  0.28990830
   0.57537701  0.80621163  0.03385957
   0.84276732  0.95463527  0.34050352
   0.90734326  0.88048358  0.15115900
   0.66734277  0.81531748  0.20864767
   0.82122465  0.70468345  0.45966665
   0.57716349  0.61712255  0.38812840
   0.64374846  0.60619213  0.57918532
   0.83130463  0.72253792  0.79999940
   0.60840573  0.85917229  0.45945303
   0.93435833  0.95378813  0.82427556
   0.93115349  0.83124273  0.65805967
   0.70409291  0.95528597  0.74164114
   0.76969231  0.65860059  0.98894407
   0.52396371  0.63432282  0.89981356
   0.69360180  0.80629838  0.60325265
   0.51006674  0.89026763  0.45209320
   0.88831256  0.22919703  0.07320059
   0.90383046  0.39781264  0.39032232
   0.32202203  0.10715094  0.62091967
   0.26581899  0.71707218  0.75387590
   0.14805636  1.11170960  0.18455664
   0.26175836  1.12417965  0.05448858
   0.63529115  0.34680000  0.86255482
   0.93050721  0.46546697  0.69678743
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959295   -0.054667   -0.121957
    -0.000000    9.758969   -0.067832
    -0.000000    0.000000   13.983923
   Si   O    H 
    32    64    10
Direct configuration=  2543
   0.16031668  0.18433214 -0.01305534
   0.32763280  0.09490786  0.37380661
   0.15887048  0.42970390  0.11943655
   0.39019963  0.33385889  0.25151730
   0.06127879  0.12470552  0.48149135
   0.38626168  0.11607650  0.85344200
   0.12648963  0.37731515  0.62101657
   0.37379051  0.35730002  0.74641049
   0.14447830  0.68717580  0.00104993
   0.42185467  0.58392688  0.36502793
   0.06332300  0.91421395  0.14311776
   0.32252657  0.82837452  0.25323870
   0.16817350  0.62138997  0.48157432
   0.37164118  0.60247289  0.85968762
   0.05913500  0.87578204  0.60490063
   0.32622508  0.98391796  0.67824852
   0.62569266  0.12071498  1.00299107
   0.83448249  0.12759076  0.34454680
   0.61638098  0.40056246  0.10904286
   0.88824284  0.31487388  0.16541413
   0.59293942  0.19385813  0.48719254
   0.89358734  0.09303035  0.88589482
   0.61929963  0.44943848  0.62092625
   0.76051160  0.35376887  0.80652394
   0.60530099  0.66236270 -0.00507078
   0.90470302  0.62158560  0.37917136
   0.56933325  0.89138184  0.13266422
   0.82047902  0.84214899  0.24939599
   0.65903062  0.69746887  0.48075382
   0.86683673  0.62889836  0.89463904
   0.61557493  0.92760279  0.63209034
   0.84590295  0.86351913  0.75410553
   0.06927247  0.07179077  0.16682720
   0.33466055  0.17781849  0.26763634
   0.15522650  0.34437594  0.02344238
   0.38077124  0.42403204  0.34606625
   0.52362431  0.32732065  0.19016664
   0.30344462  0.40949933  0.16424542
   0.21241415  0.13576537  0.44323750
  -0.02974303  0.19091416  0.40088416
   0.01588276 -0.01976692  0.51296222
   0.44848919  0.21204382  0.76840781
   0.05413325  0.24768186  0.56748138
   0.34361016  0.43143247  0.85030147
   0.47879356  0.45022480  0.68476210
   0.24233572  0.30738422  0.68788069
   0.25305899  0.18219445 -0.11330635
   0.00547216  0.12181463  0.97469841
   0.13878568  0.59460217  0.09499275
   0.38919419  0.67803238  0.26419353
   0.12559521  0.85358257  0.04317249
   0.33623505  0.92443130  0.36018009
   0.42170378  0.90107579  0.17557798
   0.15818247  0.82825656  0.22367925
   0.31852082  0.64191792  0.44091592
   0.06476251  0.60041804  0.38643904
   0.16047036  0.47829711  0.54219608
   0.34040960  0.64833879  0.75039944
   0.13736941  0.75118238  0.55177094
   0.36856494  0.97541485  0.78936594
   0.45150498  0.88678799  0.63122899
   0.16790823  0.94165843  0.68000592
   0.28148128  0.66738485 -0.05690976
   0.02351995  0.65733997  0.92181358
   0.63167263  0.03913220  0.10311587
   0.82329094  0.21173225  0.24722269
   0.63448374  0.28291988  0.02760023
   0.83644017  0.46792576  0.37848377
   0.03837722  0.38862037  0.19137175
   0.76959252  0.43350934  0.14622715
   0.70156909  0.17708171  0.40115085
   0.45873242  0.13369607  0.43845128
   0.62496733  0.09709795  0.58576758
   0.87209708  0.22297402  0.81771184
   0.59024629  0.34882711  0.52218320
   0.84831659  0.46010964  0.87646972
   1.02941244  0.45990076  0.69966928
   0.74539896  0.40014007  0.69447793
   0.75659208  0.05372841  0.94081383
   0.49294145  0.08109755  0.93714139
   0.54850996  0.54086591  0.07297715
   0.86790739  0.70289293  0.29025525
   0.57383836  0.80928078  0.03479582
   0.84360550  0.95482031  0.34156800
   0.90574510  0.87917963  0.15298990
   0.66499714  0.81587121  0.20983895
   0.82083876  0.70346663  0.46134307
   0.57697046  0.61664833  0.38766494
   0.64267817  0.60632240  0.57973395
   0.83288204  0.72202396  0.80038395
   0.60667184  0.85960687  0.45954989
   0.93387868  0.95305277  0.82406159
   0.93131254  0.83204549  0.65705113
   0.70465719  0.95646929  0.74229010
   0.76902443  0.65863409  0.98862942
   0.52600983  0.63468576  0.89900852
   0.69423350  0.80375834  0.60473183
   0.51259867  0.88719031  0.45299664
   0.89131443  0.23675789  0.07228710
   0.89696725  0.40019956  0.38669886
   0.31403910  0.10671822  0.62392028
   0.26885803  0.71882723  0.75701211
   0.16102865  1.11621068  0.18587520
   0.26467300  1.13797492  0.05317411
   0.63902176  0.34449083  0.85919080
   0.92995398  0.47012249  0.69136605
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958130   -0.053391   -0.119792
    -0.000000    9.760676   -0.069472
    -0.000000    0.000000   13.984311
   Si   O    H 
    32    64    10
Direct configuration=  2544
   0.15995873  0.18428953 -0.01231175
   0.32945177  0.09548196  0.37322547
   0.15948684  0.42984835  0.12025246
   0.39021222  0.33438032  0.25182643
   0.06205950  0.12432068  0.48157443
   0.38675539  0.11591474  0.85369824
   0.12545091  0.37813940  0.62027322
   0.37346450  0.35572514  0.74617289
   0.14462124  0.68666934  0.00150131
   0.42061235  0.58280433  0.36585187
   0.06310392  0.91421200  0.14268919
   0.32387161  0.82841830  0.25425662
   0.16929771  0.61990734  0.48200809
   0.37294669  0.60178160  0.85979980
   0.05953899  0.87638281  0.60599488
   0.32575565  0.98329923  0.67859697
   0.62651145  0.11982172  1.00254495
   0.83444069  0.12652835  0.34588957
   0.61618169  0.40082565  0.10837652
   0.88664054  0.31535254  0.16479832
   0.59338329  0.19356565  0.48740312
   0.89396568  0.09245713  0.88754858
   0.61869585  0.45021131  0.62096380
   0.75995058  0.35335069  0.80607101
   0.60562296  0.66076232 -0.00418320
   0.90402653  0.62183606  0.37976530
   0.56985289  0.89097374  0.13230614
   0.82021637  0.84236591  0.24864501
   0.65895276  0.69754225  0.48091019
   0.86717643  0.62876230  0.89472342
   0.61579220  0.92898814  0.63200225
   0.84669511  0.86506977  0.75356798
   0.07030033  0.07088408  0.16646805
   0.33581458  0.17818948  0.26698948
   0.15741558  0.34534908  0.02239434
   0.38130275  0.42469139  0.34672156
   0.52405826  0.32821049  0.19006824
   0.30546503  0.40775050  0.16532396
   0.21130026  0.13584766  0.44427793
  -0.02984757  0.18904842  0.40141430
   0.01614861 -0.01933544  0.51317560
   0.44789550  0.21377647  0.76765260
   0.05367890  0.24593084  0.56786981
   0.34397348  0.43317696  0.85043324
   0.48148723  0.45012450  0.68428744
   0.24211542  0.30784029  0.68692140
   0.25284245  0.18371820 -0.11217532
   0.00503423  0.12326620  0.97512322
   0.13970988  0.59528522  0.09474541
   0.38920407  0.67878706  0.26411650
   0.12643230  0.85327088  0.04342544
   0.33666629  0.92396451  0.35923387
   0.42046710  0.90166480  0.17561026
   0.15975847  0.82806029  0.22360652
   0.31919474  0.64213996  0.44133778
   0.06596909  0.59988734  0.38665615
   0.16168410  0.47759636  0.54296823
   0.34030065  0.64739911  0.75120401
   0.13810252  0.75323577  0.55247605
   0.36795620  0.97600593  0.78903120
   0.45214107  0.88673905  0.63042322
   0.16620936  0.94188352  0.68025482
   0.28196086  0.66694784 -0.05812164
   0.02259427  0.65764065  0.92274589
   0.63071918  0.04015855  0.10382042
   0.82333937  0.20988515  0.24769285
   0.63430233  0.28276067  0.02730064
   0.83514864  0.47087121  0.37857387
   0.03973261  0.38832062  0.19175622
   0.77204627  0.43478623  0.14612713
   0.69884583  0.17597232  0.40255684
   0.45808694  0.13272930  0.43743956
   0.62375371  0.09851498  0.58539343
   0.87443617  0.22260146  0.81875706
   0.59028180  0.34838448  0.52328829
   0.84785858  0.46087180  0.87735564
   1.02763612  0.45976786  0.69961753
   0.74648906  0.40153425  0.69489632
   0.75622494  0.05491057  0.94214003
   0.49483062  0.08049717  0.93811631
   0.54946308  0.54039638  0.07409947
   0.86949265  0.70506645  0.29050675
   0.57247099  0.81176351  0.03492384
   0.84423741  0.95546517  0.34278815
   0.90355488  0.87739201  0.15468256
   0.66339333  0.81731555  0.21080054
   0.82026636  0.70213489  0.46289451
   0.57734289  0.61692052  0.38697902
   0.64186195  0.60586268  0.58014861
   0.83466086  0.72124448  0.80111438
   0.60503219  0.85973482  0.45993123
   0.93356568  0.95354842  0.82419333
   0.93102960  0.83231547  0.65606062
   0.70439950  0.95665471  0.74260356
   0.76957862  0.65876781  0.98808221
   0.52758785  0.63449602  0.89810547
   0.69379248  0.80240545  0.60607930
   0.51871973  0.88111966  0.45159770
   0.89544160  0.24298374  0.07713132
   0.90258687  0.38983093  0.38562362
   0.30765253  0.10654936  0.62650274
   0.27436701  0.71805006  0.76070393
   0.16569916  1.11376341  0.18641596
   0.26502988  1.14526349  0.05231692
   0.64077331  0.34022290  0.85496229
   0.93877565  0.47222799  0.68566770
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956877   -0.051872   -0.117504
    -0.000000    9.762350   -0.071016
    -0.000000    0.000000   13.984877
   Si   O    H 
    32    64    10
Direct configuration=  2545
   0.16010596  0.18418623 -0.01171583
   0.33120122  0.09586426  0.37277854
   0.15952984  0.43057029  0.12100730
   0.38965360  0.33484814  0.25243586
   0.06229782  0.12443141  0.48180824
   0.38738025  0.11594360  0.85369471
   0.12394750  0.37840205  0.61994988
   0.37357769  0.35479119  0.74622119
   0.14427473  0.68678289  0.00208159
   0.41928941  0.58228147  0.36621582
   0.06346024  0.91322716  0.14222047
   0.32489834  0.82874503  0.25510122
   0.17000022  0.61885328  0.48229760
   0.37484566  0.60163145  0.85988413
   0.06046293  0.87710764  0.60646154
   0.32470192  0.98242664  0.67877736
   0.62690109  0.11913164  1.00203847
   0.83431979  0.12529415  0.34765997
   0.61596564  0.40139687  0.10836055
   0.88460037  0.31601872  0.16398400
   0.59326856  0.19229298  0.48777297
   0.89406134  0.09156411  0.88846824
   0.61795030  0.45091384  0.62114171
   0.75993873  0.35285719  0.80553448
   0.60589645  0.65961098 -0.00324751
   0.90333333  0.62151903  0.38052435
   0.56984167  0.89040687  0.13229204
   0.81935102  0.84220685  0.24803061
   0.65916625  0.69835998  0.48110906
   0.86756465  0.62886914  0.89460056
   0.61567276  0.93023647  0.63208933
   0.84731876  0.86723842  0.75333635
   0.07172367  0.07185450  0.16595043
   0.33725334  0.17845579  0.26648600
   0.15953406  0.34689037  0.02170831
   0.38177195  0.42452589  0.34765841
   0.52486587  0.32837923  0.18987419
   0.30732300  0.40678126  0.16619214
   0.21034964  0.13662095  0.44482160
  -0.02974230  0.18744293  0.40157730
   0.01617392 -0.02022777  0.51334676
   0.44685963  0.21580041  0.76679086
   0.05392207  0.24362237  0.56827498
   0.34604589  0.43482324  0.85132423
   0.48363253  0.45051535  0.68412716
   0.24193670  0.30831840  0.68591605
   0.25144461  0.18496477 -0.11025071
   0.00565407  0.12370316  0.97556829
   0.14140910  0.59569131  0.09487464
   0.38856713  0.67934707  0.26415806
   0.12796113  0.85276688  0.04369907
   0.33682028  0.92399674  0.35838043
   0.41981638  0.90156092  0.17596246
   0.16122719  0.82754753  0.22346371
   0.31928057  0.64174707  0.44157947
   0.06718116  0.59989241  0.38660008
   0.16313723  0.47830925  0.54240251
   0.34014214  0.64602337  0.75169905
   0.13904770  0.75540105  0.55288270
   0.36660693  0.97607108  0.78925602
   0.45255797  0.88680525  0.62984956
   0.16470307  0.94199796  0.68005740
   0.28226204  0.66634571 -0.05964898
   0.02201273  0.65832774  0.92348631
   0.63012165  0.04074966  0.10394044
   0.82409639  0.20886259  0.24765734
   0.63525412  0.28310333  0.02715762
   0.83476635  0.47293576  0.37755610
   0.04054063  0.38824055  0.19282475
   0.77519905  0.43610772  0.14568062
   0.69649440  0.17558540  0.40428460
   0.45738706  0.13269523  0.43633086
   0.62264769  0.09927669  0.58496561
   0.87685614  0.22239099  0.81975340
   0.59068320  0.34864809  0.52418654
   0.84749741  0.46270746  0.87813166
   1.02698221  0.45944959  0.69939614
   0.74654875  0.40276056  0.69478604
   0.75589840  0.05561376  0.94340417
   0.49606753  0.08012644  0.93889430
   0.55010874  0.54052444  0.07463638
   0.87071168  0.70623312  0.29023939
   0.57111095  0.81326861  0.03510993
   0.84523279  0.95616127  0.34332960
   0.90144360  0.87543111  0.15590132
   0.66275852  0.81849817  0.21190510
   0.81893209  0.70181084  0.46378206
   0.57785223  0.61816099  0.38685542
   0.64093357  0.60447100  0.58031944
   0.83602383  0.71948611  0.80116027
   0.60460211  0.85976243  0.46001829
   0.93286601  0.95464293  0.82484926
   0.93047135  0.83176493  0.65568644
   0.70414858  0.95682236  0.74278750
   0.77065689  0.65882894  0.98696900
   0.52945960  0.63331163  0.89748596
   0.69499582  0.80564109  0.60815081
   0.50367224  0.87828245  0.44780212
   0.90115820  0.24797863  0.07829239
   0.90125686  0.38568692  0.38150308
   0.30588452  0.11082964  0.62651260
   0.27740161  0.71967846  0.76087202
   0.15911412  1.10507411  0.18346219
   0.27052975  1.14604407  0.05468946
   0.63464150  0.33452752  0.85284713
   0.93377764  0.47438941  0.67865801
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955104   -0.050827   -0.115739
    -0.000000    9.764222   -0.072589
    -0.000000    0.000000   13.985570
   Si   O    H 
    32    64    10
Direct configuration=  2546
   0.16017497  0.18407195 -0.01098287
   0.33235426  0.09625796  0.37276593
   0.15906860  0.43150229  0.12138297
   0.38973844  0.33529267  0.25254378
   0.06247357  0.12514615  0.48208302
   0.38775456  0.11593728  0.85354891
   0.12216336  0.37810720  0.61979123
   0.37345902  0.35480790  0.74614000
   0.14397458  0.68727095  0.00250650
   0.41835625  0.58178507  0.36643723
   0.06414170  0.91176854  0.14204660
   0.32566690  0.82949592  0.25601537
   0.17062173  0.61825245  0.48232462
   0.37635637  0.60111922  0.85997316
   0.06218341  0.87829394  0.60616080
   0.32430374  0.98165850  0.67836073
   0.62749328  0.11901578  1.00116969
   0.83392636  0.12499444  0.34916601
   0.61613424  0.40147803  0.10841457
   0.88330730  0.31687852  0.16331020
   0.59261642  0.19115760  0.48809980
   0.89471923  0.09012957  0.88968857
   0.61785120  0.45103186  0.62077881
   0.76036027  0.35233570  0.80489836
   0.60589044  0.65870375 -0.00196239
   0.90232861  0.62170275  0.38107533
   0.56937739  0.88984253  0.13292066
   0.81788571  0.84201103  0.24741997
   0.65906047  0.69842647  0.48118161
   0.86779493  0.62794830  0.89447504
   0.61558144  0.93192004  0.63230993
   0.84829795  0.86846475  0.75293339
   0.07268022  0.07259579  0.16491396
   0.33884545  0.17804475  0.26607490
   0.16161968  0.34866095  0.02074820
   0.38203266  0.42420814  0.34866635
   0.52636209  0.32921680  0.18986841
   0.30841888  0.40580277  0.16752724
   0.21080176  0.13723299  0.44467335
  -0.03100233  0.18733461  0.40123718
   0.01599098 -0.02196500  0.51420017
   0.44666685  0.21699482  0.76666537
   0.05365275  0.24164231  0.56853575
   0.34791534  0.43616079  0.85237139
   0.48551777  0.45078255  0.68374154
   0.24117704  0.30910817  0.68511142
   0.24983248  0.18602161 -0.10831343
   0.00708239  0.12374568  0.97554469
   0.14295149  0.59638287  0.09539714
   0.38783804  0.68024266  0.26435004
   0.12870142  0.85195205  0.04390103
   0.33705019  0.92415644  0.35753257
   0.41985844  0.90162361  0.17617879
   0.16187610  0.82757443  0.22356577
   0.31937345  0.64150639  0.44243778
   0.06893510  0.60069397  0.38631066
   0.16429993  0.47965798  0.54078741
   0.33964917  0.64523733  0.75146945
   0.14034029  0.75638856  0.55301766
   0.36586887  0.97666072  0.78990778
   0.45346702  0.88797349  0.63017351
   0.16396667  0.94274177  0.68019689
   0.28220794  0.66488764 -0.06120398
   0.02175716  0.65924088  0.92424718
   0.62921408  0.04087330  0.10423105
   0.82480754  0.20844713  0.24760427
   0.63605767  0.28359936  0.02730772
   0.83524870  0.47329827  0.37603965
   0.04137210  0.38828119  0.19336077
   0.77747840  0.43819805  0.14522332
   0.69513325  0.17408871  0.40561575
   0.45684747  0.13340887  0.43568552
   0.62185446  0.09896701  0.58485327
   0.87823678  0.22157275  0.82024567
   0.59127892  0.35001465  0.52524109
   0.84715669  0.46495127  0.87868203
   1.02697361  0.45899407  0.69900926
   0.74623459  0.40447178  0.69456440
   0.75596237  0.05637208  0.94472395
   0.49646844  0.08050377  0.93954721
   0.55099045  0.54114589  0.07459531
   0.87135331  0.70744339  0.28994532
   0.56920750  0.81500160  0.03408287
   0.84620084  0.95780278  0.34363541
   0.89979054  0.87322064  0.15770077
   0.66191204  0.81914151  0.21376040
   0.81741068  0.70266773  0.46485014
   0.57896569  0.61858814  0.38735216
   0.63994089  0.60361302  0.57965860
   0.83697894  0.71720847  0.80112559
   0.60344907  0.86011607  0.46058891
   0.93387636  0.95556386  0.82564894
   0.93006593  0.83082792  0.65560081
   0.70394950  0.95663637  0.74189214
   0.77143963  0.65907612  0.98557775
   0.53112917  0.63260541  0.89657443
   0.69352258  0.81023004  0.60708869
   0.49845571  0.87057911  0.44410823
   0.90499900  0.24691111  0.07471156
   0.89039054  0.39290808  0.37688330
   0.30975176  0.11176197  0.62810761
   0.27574714  0.72273939  0.75814062
   0.15598753  1.09815316  0.18201480
   0.27496843  1.14304762  0.05781496
   0.62373574  0.32912165  0.85173064
   0.93149672  0.47471469  0.67155353
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953659   -0.049695   -0.113824
    -0.000000    9.765717   -0.074319
    -0.000000    0.000000   13.985628
   Si   O    H 
    32    64    10
Direct configuration=  2547
   0.16015406  0.18414067 -0.01008268
   0.33286264  0.09649892  0.37246985
   0.15889282  0.43259358  0.12197913
   0.38994084  0.33610348  0.25203580
   0.06263628  0.12696656  0.48241735
   0.38821555  0.11580392  0.85356094
   0.12006004  0.37770911  0.62001639
   0.37343612  0.35499031  0.74623080
   0.14332784  0.68814615  0.00253231
   0.41766530  0.58191691  0.36651930
   0.06461329  0.91008318  0.14151080
   0.32632431  0.83062888  0.25684450
   0.17058922  0.61818195  0.48256674
   0.37804662  0.60041745  0.86011600
   0.06393853  0.87941431  0.60535814
   0.32477694  0.98146763  0.67770762
   0.62838556  0.11912764  1.00041596
   0.83380400  0.12460060  0.35059964
   0.61615059  0.40174983  0.10885724
   0.88270138  0.31774395  0.16310170
   0.59156568  0.18998255  0.48911241
   0.89519937  0.08970769  0.89090424
   0.61747102  0.45087432  0.62046549
   0.76133646  0.35187811  0.80447827
   0.60562090  0.65814522 -0.00070670
   0.90160876  0.62167037  0.38168244
   0.56855832  0.88944903  0.13358233
   0.81621566  0.84165759  0.24717831
   0.65799757  0.69843107  0.48154281
   0.86810919  0.62727970  0.89422018
   0.61507704  0.93387745  0.63196684
   0.84852274  0.86946215  0.75319940
   0.07230509  0.07293915  0.16387646
   0.33934678  0.17802239  0.26571696
   0.16354982  0.34920500  0.02045417
   0.38209156  0.42377568  0.34994800
   0.52751640  0.32962728  0.19016690
   0.30894434  0.40473910  0.16858081
   0.21091031  0.13748762  0.44490286
  -0.03186608  0.18703022  0.40075897
   0.01626108 -0.02382082  0.51569516
   0.44610526  0.21763193  0.76675519
   0.05277795  0.24000665  0.56855841
   0.34967126  0.43674933  0.85309887
   0.48661333  0.45114689  0.68380977
   0.24061123  0.31105622  0.68384056
   0.24789172  0.18681725 -0.10657121
   0.00819894  0.12379248  0.97535934
   0.14401060  0.59599101  0.09593043
   0.38662354  0.68007429  0.26520191
   0.12923332  0.85104384  0.04359320
   0.33750465  0.92392949  0.35613209
   0.42088398  0.90222629  0.17672021
   0.16183462  0.82794230  0.22341600
   0.31889331  0.64101888  0.44297662
   0.07012281  0.60140348  0.38671703
   0.16553622  0.48091137  0.53888728
   0.33874264  0.64500363  0.75101091
   0.14127052  0.75711915  0.55286777
   0.36574835  0.97729163  0.79085821
   0.45390498  0.88970568  0.63038500
   0.16403837  0.94373946  0.68077860
   0.28208081  0.66451652 -0.06230022
   0.02172056  0.66063118  0.92500945
   0.62780069  0.04117596  0.10414432
   0.82600986  0.20859230  0.24762455
   0.63569186  0.28362970  0.02781242
   0.83584953  0.47295983  0.37449577
   0.04104887  0.38827084  0.19378638
   0.77885254  0.43963208  0.14468417
   0.69476192  0.17293158  0.40717061
   0.45647388  0.13405574  0.43562913
   0.62085841  0.09894866  0.58556364
   0.87875378  0.22100263  0.82055178
   0.59158694  0.35094074  0.52568121
   0.84636820  0.46655866  0.87874967
   1.02648761  0.45797405  0.69806406
   0.74608557  0.40668379  0.69413562
   0.75648599  0.05689838  0.94572025
   0.49616229  0.08101722  0.93942701
   0.55176336  0.54237228  0.07494285
   0.87120106  0.70838387  0.28960344
   0.56750028  0.81561628  0.03210267
   0.84628294  0.95967667  0.34303749
   0.89823058  0.87236738  0.15786948
   0.66090989  0.81981943  0.21482396
   0.81663199  0.70210397  0.46615379
   0.57864984  0.61897775  0.38801162
   0.63933006  0.60285713  0.57865138
   0.83726889  0.71542972  0.80106750
   0.60135639  0.85913180  0.46108689
   0.93608173  0.95631985  0.82670417
   0.92898266  0.82961033  0.65538412
   0.70438981  0.95586194  0.74067733
   0.77208673  0.65867475  0.98463703
   0.53280602  0.63243620  0.89539716
   0.69126978  0.81487720  0.60666239
   0.50679730  0.86133445  0.44321938
   0.90845053  0.24229738  0.07064941
   0.88433773  0.39664255  0.37322493
   0.31526164  0.10939660  0.62615251
   0.27376453  0.72504046  0.75546874
   0.17269768  1.09907054  0.18596380
   0.27729931  1.13815561  0.06486448
   0.61861774  0.32748350  0.85071624
   0.93691156  0.47338000  0.66940267
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951942   -0.048025   -0.111872
    -0.000000    9.767577   -0.075688
    -0.000000    0.000000   13.986098
   Si   O    H 
    32    64    10
Direct configuration=  2548
   0.16076596  0.18460490 -0.00902050
   0.33245636  0.09669092  0.37194458
   0.15850434  0.43359104  0.12207148
   0.38991621  0.33671855  0.25174448
   0.06267116  0.12837913  0.48250828
   0.38909534  0.11592824  0.85340451
   0.11741760  0.37707728  0.62047906
   0.37404552  0.35593583  0.74575388
   0.14231951  0.68961779  0.00239270
   0.41791067  0.58196645  0.36627784
   0.06448207  0.90777898  0.14095778
   0.32613178  0.83201026  0.25773078
   0.17034086  0.61865069  0.48272328
   0.37960443  0.59953364  0.86027410
   0.06493767  0.88065230  0.60451472
   0.32560288  0.98138326  0.67688600
   0.62906235  0.11948951  1.00002767
   0.83301884  0.12450417  0.35182427
   0.61670972  0.40243523  0.10909402
   0.88243923  0.31870011  0.16271586
   0.59059379  0.18918440  0.49032970
   0.89596421  0.08981718  0.89242783
   0.61779865  0.45046854  0.61992733
   0.76284071  0.35092392  0.80428751
   0.60546265  0.65737776  0.00045456
   0.90127785  0.62203304  0.38236591
   0.56783432  0.88936914  0.13430735
   0.81469865  0.84211430  0.24730295
   0.65666042  0.69839105  0.48198328
   0.86878804  0.62636525  0.89395787
   0.61453644  0.93534466  0.63162710
   0.84857070  0.86953911  0.75348229
   0.07245858  0.07333984  0.16316115
   0.33976857  0.17787813  0.26559912
   0.16554706  0.35018199  0.01973804
   0.38206402  0.42290338  0.35121203
   0.52882963  0.32964633  0.19114151
   0.30859213  0.40351775  0.16916184
   0.21121918  0.13784832  0.44464763
  -0.03330325  0.18685115  0.40011485
   0.01548273 -0.02476671  0.51690085
   0.44476152  0.21730272  0.76655486
   0.05188472  0.23934515  0.56855478
   0.35081702  0.43732767  0.85286717
   0.48683329  0.45041252  0.68412660
   0.23990311  0.31268690  0.68223179
   0.24671284  0.18651471 -0.10528204
   0.00948865  0.12379365  0.97488186
   0.14525085  0.59496214  0.09650790
   0.38466950  0.67947283  0.26640394
   0.12961968  0.84978070  0.04304839
   0.33761182  0.92351892  0.35428251
   0.42189863  0.90296902  0.17750527
   0.16215930  0.82928032  0.22291224
   0.31841574  0.64073829  0.44375298
   0.07064538  0.60221386  0.38745255
   0.16675449  0.48199771  0.53677227
   0.33798099  0.64538332  0.75065914
   0.14267587  0.75741847  0.55217600
   0.36539160  0.97812997  0.79202539
   0.45386258  0.89194508  0.63111543
   0.16449697  0.94421046  0.68119934
   0.28167297  0.66455941 -0.06293153
   0.02200278  0.66194691  0.92542294
   0.62657100  0.04195149  0.10459481
   0.82761647  0.20919986  0.24794857
   0.63521328  0.28402615  0.02809618
   0.83533070  0.47284269  0.37356909
   0.04010584  0.38810212  0.19411545
   0.77926642  0.44158887  0.14442153
   0.69511872  0.17203306  0.40821034
   0.45648242  0.13547926  0.43605645
   0.61999895  0.09837148  0.58597114
   0.87954220  0.22113192  0.82117662
   0.59176771  0.35172552  0.52600902
   0.84501567  0.46794931  0.87842611
   1.02518477  0.45653276  0.69706617
   0.74598097  0.40862274  0.69347362
   0.75769042  0.05708775  0.94682663
   0.49630674  0.08235743  0.93935738
   0.55274116  0.54335148  0.07498200
   0.87107488  0.70892804  0.28995198
   0.56519428  0.81667256  0.03038903
   0.84613454  0.96094435  0.34289780
   0.89718192  0.87324826  0.15769236
   0.66007868  0.82135065  0.21541888
   0.81613235  0.70207302  0.46706171
   0.57784091  0.62056278  0.38916395
   0.63920757  0.60118417  0.57774303
   0.83749248  0.71340787  0.80057787
   0.59906254  0.85773247  0.46181374
   0.93807059  0.95847916  0.82814956
   0.92876840  0.82784809  0.65582855
   0.70447853  0.95517942  0.73936666
   0.77234710  0.65731066  0.98406524
   0.53475540  0.63295920  0.89400382
   0.68898097  0.82185069  0.60385460
   0.51423590  0.85170450  0.44097455
   0.91268426  0.24292533  0.07008470
   0.88642647  0.38104215  0.37109119
   0.32201399  0.11011218  0.62326491
   0.27936822  0.72018878  0.75346812
   0.17677018  1.09651316  0.18668880
   0.27218642  1.12970470  0.06881216
   0.62109540  0.32082924  0.84665779
   0.94151307  0.47144428  0.67238920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950476   -0.046610   -0.109879
    -0.000000    9.769408   -0.076768
    -0.000000    0.000000   13.986208
   Si   O    H 
    32    64    10
Direct configuration=  2549
   0.16143519  0.18558253 -0.00820981
   0.33252193  0.09710826  0.37166861
   0.15838774  0.43455546  0.12221313
   0.39014668  0.33724271  0.25146592
   0.06325478  0.12983189  0.48259433
   0.38958924  0.11597301  0.85367361
   0.11546983  0.37613565  0.62143542
   0.37423487  0.35699366  0.74516193
   0.14160055  0.69033319  0.00196230
   0.41833360  0.58209078  0.36607562
   0.06380893  0.90482237  0.14044004
   0.32565494  0.83336417  0.25862930
   0.16950636  0.61980479  0.48283600
   0.38035223  0.59944391  0.86040242
   0.06580785  0.88153049  0.60363976
   0.32586802  0.98195130  0.67598816
   0.62930872  0.12018873  0.99978085
   0.83165853  0.12437571  0.35312582
   0.61712096  0.40257778  0.10936279
   0.88289967  0.31941519  0.16205190
   0.59009289  0.18848274  0.49147492
   0.89681198  0.08995510  0.89372400
   0.61794781  0.45047209  0.61921509
   0.76392693  0.34961973  0.80448243
   0.60585573  0.65675331  0.00114136
   0.90119393  0.62216946  0.38268617
   0.56735214  0.88958479  0.13419936
   0.81289344  0.84309156  0.24797961
   0.65530221  0.69850607  0.48263459
   0.86946954  0.62482436  0.89403145
   0.61368174  0.93713011  0.63140237
   0.84843307  0.86986884  0.75360311
   0.07419825  0.07383501  0.16250850
   0.34042340  0.17687563  0.26588483
   0.16760224  0.35118176  0.01927170
   0.38269051  0.42274994  0.35215180
   0.53026975  0.32895758  0.19243731
   0.30752132  0.40212760  0.16890973
   0.21146171  0.13826725  0.44441856
  -0.03402779  0.18589203  0.39990244
   0.01533680 -0.02560143  0.51827375
   0.44432159  0.21642402  0.76681699
   0.05108059  0.23969993  0.56897824
   0.35200124  0.43658741  0.85189328
   0.48615892  0.44905832  0.68493284
   0.24022646  0.31389860  0.68065789
   0.24666943  0.18583260 -0.10530760
   0.01034003  0.12273467  0.97419063
   0.14519033  0.59375366  0.09710230
   0.38308848  0.67811523  0.26794467
   0.13034996  0.84867634  0.04281352
   0.33797023  0.92455806  0.35285984
   0.42226337  0.90359850  0.17776736
   0.16316086  0.83074262  0.22148407
   0.31787009  0.64040073  0.44454335
   0.07020360  0.60336019  0.38864952
   0.16885416  0.48168575  0.53534924
   0.33759181  0.64566551  0.75038861
   0.14467482  0.75655488  0.55141695
   0.36447575  0.97974578  0.79364581
   0.45430738  0.89403826  0.63187442
   0.16493863  0.94463363  0.68138755
   0.28136543  0.66487102 -0.06334664
   0.02270936  0.66356561  0.92578294
   0.62513596  0.04285090  0.10499994
   0.82962036  0.20911224  0.24754826
   0.63521142  0.28445166  0.02834801
   0.83533669  0.47248202  0.37292007
   0.03909649  0.38754941  0.19376873
   0.77958129  0.44234428  0.14407673
   0.69628647  0.17085351  0.40897230
   0.45714618  0.13656640  0.43704386
   0.61925601  0.09665398  0.58638436
   0.88031506  0.22097757  0.82172566
   0.59203017  0.35242305  0.52621971
   0.84388879  0.46855074  0.87797044
   1.02428685  0.45489691  0.69673756
   0.74580690  0.41022297  0.69320734
   0.75924142  0.05694392  0.94727611
   0.49599463  0.08375388  0.93955155
   0.55338907  0.54433464  0.07489211
   0.87124431  0.70955090  0.28978642
   0.56400241  0.81682499  0.02867738
   0.84563786  0.96174023  0.34270975
   0.89756409  0.87438506  0.15696862
   0.65888672  0.82320281  0.21632633
   0.81560449  0.70201292  0.46816735
   0.57694274  0.62132606  0.38934880
   0.63916120  0.60027364  0.57648227
   0.83694140  0.71170505  0.80033009
   0.59863407  0.85634577  0.46312349
   0.94007344  0.96022880  0.82932932
   0.92899157  0.82652686  0.65616979
   0.70383305  0.95439972  0.73816042
   0.77177697  0.65494863  0.98366352
   0.53709078  0.63288064  0.89182757
   0.69157255  0.82528749  0.59876808
   0.50438359  0.84305650  0.43230870
   0.91634628  0.24526716  0.07384303
   0.88228550  0.37688418  0.36927535
   0.32917954  0.10737768  0.62211415
   0.27490981  0.72641912  0.74982953
   0.17246647  1.09278036  0.18454526
   0.26261984  1.12490402  0.07113251
   0.63144606  0.31555835  0.84185775
   0.93048849  0.47482068  0.67249860
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948945   -0.046206   -0.107801
    -0.000000    9.771047   -0.077782
    -0.000000    0.000000   13.986228
   Si   O    H 
    32    64    10
Direct configuration=  2550
   0.16197909  0.18633710 -0.00719422
   0.33189812  0.09688481  0.37156240
   0.15780408  0.43536882  0.12222945
   0.39081673  0.33755672  0.25149650
   0.06334297  0.13155316  0.48254154
   0.39032380  0.11610719  0.85354024
   0.11434655  0.37536481  0.62226969
   0.37417061  0.35784704  0.74400514
   0.14062941  0.69048113  0.00136275
   0.41887855  0.58258737  0.36613781
   0.06314060  0.90224876  0.13956304
   0.32510795  0.83483089  0.25906014
   0.16831219  0.62081834  0.48305136
   0.38110064  0.59965474  0.86049333
   0.06648647  0.88199922  0.60282567
   0.32669890  0.98256819  0.67532709
   0.62874594  0.12139969  0.99981219
   0.83026438  0.12461317  0.35407973
   0.61707915  0.40208138  0.10957880
   0.88326761  0.32075924  0.16146265
   0.58938039  0.18790424  0.49203236
   0.89754742  0.09066037  0.89493641
   0.61875249  0.45025660  0.61836183
   0.76508890  0.34834520  0.80483913
   0.60739974  0.65672346  0.00162632
   0.90110191  0.62259275  0.38304826
   0.56724711  0.88984361  0.13379677
   0.81143588  0.84344773  0.24896733
   0.65418052  0.69823941  0.48326804
   0.87015943  0.62416372  0.89376471
   0.61391381  0.93870610  0.63125426
   0.84845340  0.87025390  0.75392290
   0.07647107  0.07418930  0.16248400
   0.34069385  0.17639839  0.26679170
   0.16920991  0.35210121  0.01938056
   0.38364500  0.42226506  0.35277867
   0.53132356  0.32894661  0.19431187
   0.30638326  0.40058821  0.16822942
   0.21277030  0.13825814  0.44373301
  -0.03450889  0.18473531  0.39981796
   0.01545639 -0.02589947  0.51992360
   0.44428207  0.21534601  0.76719841
   0.05103922  0.24055032  0.56923841
   0.35280723  0.43535481  0.85151430
   0.48562469  0.44799164  0.68574957
   0.24096463  0.31640033  0.67937943
   0.24760135  0.18457632 -0.10584934
   0.01199615  0.12116412  0.97362009
   0.14600554  0.59313964  0.09754374
   0.38141074  0.67591278  0.26951033
   0.13066221  0.84748000  0.04232902
   0.33805359  0.92631744  0.35224344
   0.42257146  0.90475412  0.17824325
   0.16361739  0.83209302  0.22050558
   0.31795466  0.64004366  0.44522833
   0.06899810  0.60445112  0.39089142
   0.17118056  0.48014662  0.53489135
   0.33713453  0.64673950  0.75050331
   0.14668540  0.75592984  0.55016118
   0.36394026  0.98053656  0.79489825
   0.45464343  0.89579009  0.63280831
   0.16489225  0.94474871  0.68150505
   0.28075637  0.66624403 -0.06278360
   0.02298280  0.66563695  0.92583149
   0.62368068  0.04394277  0.10581608
   0.83201474  0.20831809  0.24707286
   0.63442486  0.28486857  0.02803682
   0.83560748  0.47158957  0.37257125
   0.03866953  0.38726316  0.19330031
   0.77918263  0.44292997  0.14370210
   0.69780623  0.17035096  0.40908751
   0.45772371  0.13816254  0.43755179
   0.61873880  0.09462333  0.58729970
   0.88010151  0.22150724  0.82182438
   0.59297395  0.35220249  0.52638578
   0.84183017  0.46786016  0.87680402
   1.02304380  0.45396866  0.69648408
   0.74586242  0.41160683  0.69288781
   0.76067252  0.05680819  0.94792333
   0.49495504  0.08604108  0.93895301
   0.55431254  0.54576406  0.07442889
   0.87212288  0.70999581  0.28906739
   0.56214809  0.81608156  0.02744029
   0.84573729  0.96230191  0.34243571
   0.89933819  0.87596265  0.15553544
   0.65742613  0.82490432  0.21779992
   0.81489623  0.70126041  0.46937259
   0.57618650  0.62202145  0.39000107
   0.63885645  0.59915856  0.57532482
   0.83635538  0.71119619  0.79994731
   0.59784546  0.85526725  0.46392586
   0.94151994  0.96282741  0.83034891
   0.92866202  0.82554837  0.65692081
   0.70269657  0.95362255  0.73727468
   0.77060034  0.65348826  0.98314792
   0.53924551  0.63258240  0.89021859
   0.69821230  0.82298570  0.59532796
   0.50242761  0.83507972  0.42866165
   0.91833853  0.24762171  0.07919367
   0.87779193  0.38339876  0.36645809
   0.33444601  0.10909378  0.62221106
   0.27451967  0.72664771  0.74539364
   0.16031041  1.08988291  0.18108395
   0.25357591  1.12194310  0.07039614
   0.63831045  0.30839272  0.83726420
   0.92454166  0.48180212  0.67521512
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947106   -0.046922   -0.105234
    -0.000000    9.773016   -0.079642
    -0.000000    0.000000   13.986377
   Si   O    H 
    32    64    10
Direct configuration=  2551
   0.16208185  0.18726124 -0.00610721
   0.33092058  0.09658022  0.37163125
   0.15803560  0.43596556  0.12267939
   0.39144172  0.33749236  0.25146344
   0.06353948  0.13287265  0.48272454
   0.39081491  0.11656587  0.85337109
   0.11350079  0.37484544  0.62259062
   0.37406409  0.35872527  0.74333718
   0.13981356  0.69099931  0.00069435
   0.41976941  0.58360103  0.36637253
   0.06198387  0.90004674  0.13882303
   0.32470253  0.83563300  0.25922664
   0.16752164  0.62227213  0.48337490
   0.38177910  0.60057902  0.86066011
   0.06594367  0.88167864  0.60265453
   0.32728667  0.98270864  0.67517464
   0.62815495  0.12191411  1.00021830
   0.82868287  0.12512425  0.35463565
   0.61735254  0.40134807  0.10993831
   0.88448181  0.32163376  0.16069982
   0.58842054  0.18736138  0.49239383
   0.89854942  0.09105614  0.89602520
   0.61947702  0.45059644  0.61774009
   0.76633941  0.34763418  0.80506570
   0.60894985  0.65729532  0.00105518
   0.90082562  0.62308487  0.38315921
   0.56689288  0.89075096  0.13338900
   0.81063370  0.84302733  0.24993013
   0.65288793  0.69751827  0.48386161
   0.87039084  0.62396491  0.89378255
   0.61392463  0.94053127  0.63110570
   0.84791837  0.87094832  0.75394802
   0.07754662  0.07390228  0.16217612
   0.34109158  0.17629727  0.26744685
   0.17018630  0.35330104  0.01986928
   0.38520313  0.42146977  0.35344127
   0.53265787  0.32874441  0.19570651
   0.30416817  0.39896109  0.16755807
   0.21449960  0.13750880  0.44314682
  -0.03535287  0.18319258  0.39955439
   0.01538319 -0.02548417  0.52083453
   0.44426886  0.21488728  0.76769901
   0.05135215  0.24153203  0.56962413
   0.35410561  0.43430977  0.85038086
   0.48587037  0.44690619  0.68670429
   0.24206898  0.31981864  0.67777462
   0.24894742  0.18251531 -0.10648405
   0.01429323  0.11997662  0.97268299
   0.14684637  0.59329142  0.09790262
   0.38028649  0.67385934  0.27136765
   0.13087716  0.84635290  0.04137430
   0.33846456  0.92869695  0.35218775
   0.42296305  0.90637036  0.17870594
   0.16383545  0.83415988  0.21952050
   0.31862228  0.64015660  0.44597304
   0.06729615  0.60630237  0.39349698
   0.17293244  0.47811107  0.53420200
   0.33605502  0.64854360  0.75077279
   0.14811660  0.75542763  0.54920907
   0.36296761  0.98081528  0.79567212
   0.45491977  0.89775010  0.63360437
   0.16586710  0.94449794  0.68188808
   0.28027482  0.66759370 -0.06200950
   0.02238299  0.66706679  0.92614113
   0.62228235  0.04500595  0.10628691
   0.83456542  0.20837577  0.24640495
   0.63387093  0.28514392  0.02709350
   0.83615041  0.47106258  0.37256920
   0.03819362  0.38669901  0.19322294
   0.77851764  0.44309025  0.14374551
   0.69928452  0.17029009  0.40931087
   0.45839795  0.13971669  0.43810272
   0.61874825  0.09346147  0.58828106
   0.87954421  0.22151464  0.82130919
   0.59405780  0.35153069  0.52661227
   0.83875847  0.46592396  0.87550683
   1.02148469  0.45326526  0.69602428
   0.74599524  0.41270266  0.69263223
   0.76290117  0.05674268  0.94825847
   0.49379210  0.08877829  0.93814457
   0.55602620  0.54595022  0.07439393
   0.87282893  0.70987701  0.28852556
   0.56029095  0.81493673  0.02633288
   0.84474463  0.96269388  0.34195801
   0.90133216  0.87724071  0.15344735
   0.65628183  0.82693006  0.21927670
   0.81457175  0.70055296  0.47037670
   0.57462840  0.62211535  0.39004581
   0.63964156  0.59830766  0.57502912
   0.83563606  0.71183099  0.79970349
   0.59590711  0.85356164  0.46433849
   0.94400472  0.96417838  0.83150455
   0.92902976  0.82582186  0.65796382
   0.70098616  0.95340626  0.73630783
   0.76924373  0.65239584  0.98273597
   0.54181330  0.63290994  0.88951360
   0.70760050  0.82471506  0.59316287
   0.50905009  0.83675090  0.42815328
   0.91724052  0.24762558  0.08093078
   0.87776641  0.38915945  0.36398663
   0.34296165  0.11132440  0.62197205
   0.27699424  0.72338796  0.74220135
   0.16964591  1.09158177  0.18438874
   0.24499667  1.12168138  0.06587266
   0.64012474  0.30057509  0.83368823
   0.92875449  0.48879276  0.67955823
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945673   -0.047562   -0.103083
    -0.000000    9.775175   -0.081546
    -0.000000    0.000000   13.986699
   Si   O    H 
    32    64    10
Direct configuration=  2552
   0.16225543  0.18853022 -0.00521594
   0.33052987  0.09646868  0.37162672
   0.15820525  0.43641035  0.12304038
   0.39214884  0.33808558  0.25134630
   0.06375778  0.13447955  0.48288710
   0.39132416  0.11723446  0.85291992
   0.11289188  0.37457457  0.62293433
   0.37361826  0.35896268  0.74248856
   0.13972950  0.69133981 -0.00026684
   0.42086718  0.58524719  0.36628120
   0.06136369  0.89859430  0.13806605
   0.32414563  0.83552776  0.25934170
   0.16670071  0.62398453  0.48344924
   0.38240745  0.60158500  0.86122518
   0.06536696  0.88102188  0.60238273
   0.32843666  0.98339634  0.67545653
   0.62737035  0.12221246  1.00079769
   0.82752758  0.12587758  0.35493593
   0.61736114  0.40082602  0.11033354
   0.88570067  0.32270958  0.16024707
   0.58838661  0.18675280  0.49291828
   0.89940172  0.09133920  0.89677808
   0.62011152  0.45056944  0.61735031
   0.76846952  0.34696550  0.80555258
   0.61056829  0.65766474 -0.00027862
   0.90072149  0.62309411  0.38307780
   0.56682007  0.89222934  0.13286353
   0.81010320  0.84341884  0.25118344
   0.65215992  0.69711377  0.48461746
   0.86988965  0.62386474  0.89403267
   0.61448367  0.94224414  0.63093947
   0.84737751  0.87112196  0.75425667
   0.07864477  0.07321196  0.16180914
   0.34080052  0.17676790  0.26799979
   0.17037131  0.35418430  0.02017233
   0.38655649  0.42000597  0.35433945
   0.53419655  0.32904185  0.19683021
   0.30200995  0.39749849  0.16727125
   0.21463423  0.13726149  0.44222378
  -0.03609110  0.18205880  0.39889920
   0.01562560 -0.02447146  0.52174174
   0.44375613  0.21540036  0.76828618
   0.05174090  0.24237447  0.57026896
   0.35536665  0.43424396  0.84889988
   0.48510218  0.44617218  0.68732352
   0.24329777  0.32209559  0.67630497
   0.24957929  0.18027636 -0.10756088
   0.01708184  0.11859701  0.97228137
   0.14697028  0.59446642  0.09810264
   0.37866927  0.67178374  0.27271581
   0.13069632  0.84521800  0.04021413
   0.33925410  0.93101451  0.35249375
   0.42281608  0.90780282  0.17877572
   0.16396043  0.83628971  0.21862921
   0.31885061  0.63970790  0.44656913
   0.06548922  0.60828707  0.39618176
   0.17399313  0.47507544  0.53444703
   0.33604703  0.65051189  0.75060795
   0.14930721  0.75505173  0.54830687
   0.36231490  0.98066158  0.79534008
   0.45460711  0.89976510  0.63471696
   0.16645157  0.94444622  0.68198175
   0.27841121  0.66908629 -0.06055399
   0.02183063  0.66866384  0.92721435
   0.62067046  0.04521197  0.10648243
   0.83688873  0.20807539  0.24554060
   0.63294538  0.28501470  0.02634367
   0.83634222  0.47154833  0.37250496
   0.03748150  0.38597122  0.19358400
   0.77811135  0.44339765  0.14342659
   0.70001383  0.16993014  0.40906276
   0.45846673  0.14138619  0.43875147
   0.61952301  0.09217955  0.58908535
   0.87914322  0.22171598  0.82065651
   0.59522726  0.35077523  0.52686499
   0.83555818  0.46364257  0.87478324
   1.01966668  0.45251690  0.69550356
   0.74613600  0.41382860  0.69218376
   0.76504917  0.05598024  0.94878465
   0.49319834  0.09113454  0.93733898
   0.55751144  0.54602351  0.07458933
   0.87373292  0.70817418  0.28764011
   0.55814682  0.81297396  0.02498424
   0.84313791  0.96304112  0.34112347
   0.90283413  0.87841657  0.15089179
   0.65423634  0.82819879  0.22115851
   0.81440948  0.69976044  0.47041889
   0.57314077  0.62248402  0.39042888
   0.63988370  0.59746338  0.57457776
   0.83468455  0.71264554  0.79931512
   0.59366462  0.85198097  0.46462754
   0.94588402  0.96511002  0.83238386
   0.92890975  0.82683092  0.65832348
   0.70010310  0.95273836  0.73525183
   0.76801214  0.65160692  0.98239842
   0.54356499  0.63313147  0.88948503
   0.71210579  0.82882710  0.59313369
   0.52040860  0.84430721  0.42871763
   0.91528579  0.24401706  0.07747009
   0.88657240  0.38245706  0.35897238
   0.35068679  0.11298270  0.62227933
   0.27652859  0.72689407  0.74040120
   0.17945698  1.09229881  0.18932330
   0.23916092  1.11834132  0.06116364
   0.63719551  0.28932010  0.83092780
   0.93592190  0.49097819  0.68554778
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944584   -0.048650   -0.101649
    -0.000000    9.777069   -0.083051
    -0.000000    0.000000   13.986492
   Si   O    H 
    32    64    10
Direct configuration=  2553
   0.16223066  0.18967307 -0.00526975
   0.33088921  0.09673174  0.37223039
   0.15839793  0.43660258  0.12312986
   0.39319851  0.33882185  0.25135890
   0.06447232  0.13565356  0.48305481
   0.39173530  0.11748276  0.85254002
   0.11248872  0.37454146  0.62222583
   0.37305192  0.35913610  0.74175676
   0.13980952  0.69242834 -0.00127202
   0.42174438  0.58647112  0.36604399
   0.06119928  0.89763893  0.13786590
   0.32348261  0.83548887  0.25940368
   0.16577475  0.62547762  0.48351389
   0.38338363  0.60225885  0.86182026
   0.06444513  0.87987463  0.60271986
   0.32993183  0.98427567  0.67596976
   0.62696797  0.12152048  1.00119373
   0.82665647  0.12608162  0.35446964
   0.61737409  0.40046213  0.11056483
   0.88652976  0.32369692  0.16079151
   0.58829243  0.18582669  0.49336774
   0.90048680  0.09139645  0.89736629
   0.62007464  0.45029506  0.61724235
   0.77002635  0.34592441  0.80583453
   0.61191448  0.65774034 -0.00143163
   0.90046441  0.62318758  0.38277052
   0.56711268  0.89349832  0.13216723
   0.80945192  0.84410577  0.25192388
   0.65170506  0.69658409  0.48513001
   0.86915849  0.62390483  0.89432162
   0.61489365  0.94333212  0.63047520
   0.84724805  0.87130973  0.75486290
   0.08040213  0.07247605  0.16202993
   0.34045742  0.17747622  0.26850564
   0.17025394  0.35518395  0.02086505
   0.38782219  0.41926385  0.35445510
   0.53563231  0.32998133  0.19822570
   0.30084008  0.39635730  0.16678394
   0.21540808  0.13759035  0.44150622
  -0.03634436  0.18103348  0.39862201
   0.01449720 -0.02246015  0.52243623
   0.44373564  0.21598255  0.76862490
   0.05233208  0.24329418  0.57082238
   0.35710120  0.43438571  0.84775805
   0.48478974  0.44562251  0.68751872
   0.24462305  0.32417975  0.67505113
   0.25015877  0.17855193 -0.10851528
   0.02024076  0.11769795  0.97213813
   0.14751813  0.59630947  0.09792935
   0.37717974  0.67038842  0.27353669
   0.13015620  0.84405255  0.03912642
   0.34009437  0.93253197  0.35328084
   0.42245227  0.90862372  0.17882298
   0.16403817  0.83826276  0.21798448
   0.31961383  0.64041253  0.44690324
   0.06295061  0.61079681  0.39839140
   0.17455888  0.47243210  0.53488627
   0.33608601  0.65227620  0.75124706
   0.14941079  0.75456862  0.54761842
   0.36119801  0.98074130  0.79513278
   0.45387462  0.90133483  0.63552677
   0.16721897  0.94468374  0.68203371
   0.27636958  0.66990239 -0.05970204
   0.02113227  0.66891450  0.92787355
   0.61921944  0.04594982  0.10691584
   0.83903676  0.20781513  0.24493164
   0.63209732  0.28407189  0.02622734
   0.83632064  0.47179673  0.37226006
   0.03653240  0.38572660  0.19427541
   0.77721104  0.44283301  0.14324167
   0.70089288  0.16956064  0.40884370
   0.45824071  0.14287541  0.43916201
   0.61944259  0.09129145  0.58908389
   0.87832038  0.22180006  0.82007862
   0.59628474  0.35001856  0.52656279
   0.83308849  0.46118328  0.87430374
   1.01788499  0.45129808  0.69526744
   0.74537295  0.41525879  0.69216791
   0.76661149  0.05531235  0.94976664
   0.49298442  0.09255703  0.93678920
   0.55915217  0.54526206  0.07521019
   0.87580528  0.70626450  0.28710467
   0.55642439  0.81109040  0.02428639
   0.84225340  0.96225211  0.34033352
   0.90395948  0.87906146  0.14920593
   0.65211849  0.82879284  0.22317836
   0.81498739  0.69980685  0.47060957
   0.57150017  0.62283823  0.39115725
   0.63952042  0.59751013  0.57453259
   0.83312903  0.71279776  0.79945791
   0.59267989  0.85077334  0.46508548
   0.94779836  0.96557588  0.83233401
   0.92908862  0.82798643  0.65850239
   0.70015520  0.95109150  0.73457934
   0.76698320  0.65080656  0.98225797
   0.54398703  0.63399709  0.88921273
   0.71133605  0.83428604  0.59321262
   0.51180044  0.85411254  0.41867651
   0.90792901  0.24188271  0.07190485
   0.88969225  0.38342468  0.35387176
   0.35590632  0.10971302  0.62271433
   0.27549712  0.73142826  0.74136206
   0.18068284  1.09286596  0.19164766
   0.23977847  1.11077144  0.05884685
   0.63647227  0.28277053  0.82742047
   0.93192735  0.49690147  0.68898787
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943768   -0.049807   -0.099790
    -0.000000    9.779236   -0.084421
    -0.000000    0.000000   13.986675
   Si   O    H 
    32    64    10
Direct configuration=  2554
   0.16309379  0.19075992 -0.00519007
   0.33185232  0.09709431  0.37229398
   0.15841711  0.43673713  0.12388049
   0.39434344  0.33939999  0.25180567
   0.06497748  0.13635223  0.48329954
   0.39187604  0.11781711  0.85211608
   0.11195339  0.37455043  0.62144975
   0.37310772  0.35938752  0.74090273
   0.14050269  0.69380154 -0.00216080
   0.42186657  0.58712934  0.36577912
   0.06205214  0.89753373  0.13799359
   0.32284541  0.83454683  0.25953257
   0.16616335  0.62659905  0.48395562
   0.38408689  0.60272153  0.86217479
   0.06376198  0.87807064  0.60293374
   0.33105567  0.98530702  0.67663184
   0.62625070  0.12011294  1.00138804
   0.82641123  0.12630062  0.35371874
   0.61801385  0.40023976  0.11088760
   0.88770797  0.32492664  0.16128112
   0.58845385  0.18518718  0.49407570
   0.90180883  0.09156662  0.89698090
   0.61992234  0.45002001  0.61731305
   0.77169906  0.34465731  0.80577015
   0.61229353  0.65812904 -0.00266223
   0.90017986  0.62335338  0.38254595
   0.56758792  0.89458041  0.13113117
   0.80902426  0.84491002  0.25284527
   0.65120202  0.69699715  0.48522764
   0.86807025  0.62313458  0.89420948
   0.61570311  0.94290591  0.62953914
   0.84742236  0.87121241  0.75560428
   0.08326178  0.07127241  0.16298024
   0.33969451  0.17819310  0.26900515
   0.17020927  0.35594557  0.02151790
   0.38943206  0.41868490  0.35416308
   0.53658516  0.33132647  0.19974637
   0.29973404  0.39551460  0.16619944
   0.21583183  0.13854311  0.44112821
  -0.03631101  0.17936188  0.39860422
   0.01338204 -0.01989149  0.52275849
   0.44384268  0.21722947  0.76886897
   0.05235727  0.24402006  0.57135304
   0.35833339  0.43511967  0.84644350
   0.48461349  0.44523860  0.68682142
   0.24564907  0.32619389  0.67391979
   0.25014455  0.17652619 -0.10938033
   0.02296630  0.11711235  0.97186889
   0.14710822  0.59811354  0.09739853
   0.37585010  0.66913338  0.27391740
   0.12914495  0.84418963  0.03834060
   0.34093613  0.93458897  0.35418783
   0.42034440  0.90980532  0.17876682
   0.16496447  0.83934368  0.21824710
   0.32011396  0.64170827  0.44697083
   0.06008124  0.61236443  0.40043928
   0.17539383  0.47074096  0.53536312
   0.33645986  0.65462083  0.75213388
   0.14915330  0.75464486  0.54735344
   0.36003193  0.98030444  0.79482404
   0.45346409  0.90197545  0.63643784
   0.16864553  0.94527201  0.68183369
   0.27525675  0.67016751 -0.05924956
   0.01955364  0.66815663  0.92831738
   0.61765522  0.04593509  0.10758773
   0.84166911  0.20809952  0.24418139
   0.63159568  0.28355973  0.02617623
   0.83650950  0.47101466  0.37241046
   0.03578035  0.38524252  0.19498680
   0.77593671  0.44263492  0.14298534
   0.70148038  0.16916958  0.40912751
   0.45754405  0.14412205  0.43866760
   0.61964990  0.09163795  0.58941382
   0.87751722  0.22146226  0.81982601
   0.59760161  0.34889678  0.52611205
   0.83116616  0.45955504  0.87375745
   1.01554829  0.44978094  0.69527568
   0.74525934  0.41684078  0.69211232
   0.76801690  0.05488966  0.95105980
   0.49245178  0.09396057  0.93649642
   0.56072361  0.54456971  0.07557950
   0.87749381  0.70420033  0.28673285
   0.55436812  0.80916670  0.02388813
   0.84154855  0.96171574  0.33970785
   0.90425034  0.87988644  0.14877492
   0.65029568  0.82861981  0.22555772
   0.81492193  0.69996166  0.47102610
   0.57083804  0.62326503  0.39180387
   0.63881558  0.59839987  0.57458914
   0.83148987  0.71334064  0.79947802
   0.59129112  0.84970670  0.46535658
   0.94922765  0.96502803  0.83152578
   0.93010845  0.82943134  0.65871909
   0.69943345  0.94971512  0.73406372
   0.76725976  0.65019559  0.98237438
   0.54392222  0.63506869  0.88942092
   0.70892399  0.84550639  0.59344725
   0.50682053  0.86490614  0.41470050
   0.89986663  0.24171768  0.06939798
   0.88578171  0.39483857  0.35028978
   0.35626926  0.10857479  0.61979545
   0.27621263  0.73429833  0.74498333
   0.16842894  1.09330584  0.18911289
   0.24514666  1.10624401  0.05859123
   0.63282022  0.27780639  0.82373658
   0.92710719  0.50314005  0.68879030
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942834   -0.050417   -0.097654
    -0.000000    9.781378   -0.085984
    -0.000000    0.000000   13.986706
   Si   O    H 
    32    64    10
Direct configuration=  2555
   0.16401442  0.19148246 -0.00510981
   0.33378328  0.09746957  0.37229165
   0.15787271  0.43683282  0.12476458
   0.39512469  0.34016710  0.25245558
   0.06533179  0.13709662  0.48383117
   0.39147022  0.11824695  0.85170552
   0.11055273  0.37500211  0.62059022
   0.37261999  0.36006135  0.74032917
   0.14110802  0.69487322 -0.00270679
   0.42123488  0.58771703  0.36546257
   0.06326905  0.89821435  0.13873779
   0.32197498  0.83411417  0.25936634
   0.16665212  0.62672060  0.48400182
   0.38475109  0.60312224  0.86266980
   0.06346234  0.87608539  0.60325706
   0.33205082  0.98649017  0.67763957
   0.62585610  0.11911753  1.00136872
   0.82601283  0.12643759  0.35265650
   0.61901126  0.40079651  0.11142277
   0.88872862  0.32633472  0.16146813
   0.58907762  0.18471596  0.49515599
   0.90351754  0.09262482  0.89624775
   0.62002128  0.45011530  0.61797106
   0.77295165  0.34338670  0.80524771
   0.61291627  0.65820903 -0.00360498
   0.89994432  0.62311824  0.38211044
   0.56819405  0.89550213  0.13094157
   0.80893584  0.84597881  0.25410577
   0.65019462  0.69716240  0.48543592
   0.86713964  0.62219853  0.89388501
   0.61722948  0.94229595  0.62892852
   0.84720199  0.87128130  0.75627888
   0.08556354  0.06939264  0.16354191
   0.33896415  0.17916361  0.26914473
   0.16997360  0.35632812  0.02209565
   0.39090974  0.41855899  0.35378359
   0.53784955  0.33204476  0.20085820
   0.29892187  0.39542219  0.16639100
   0.21622200  0.14016068  0.44139281
  -0.03674062  0.17726502  0.39858254
   0.01279714 -0.01668278  0.52337805
   0.44384932  0.21801797  0.76858036
   0.05207409  0.24461888  0.57139587
   0.36017287  0.43605828  0.84520521
   0.48501452  0.44553660  0.68597527
   0.24612647  0.32814628  0.67289913
   0.24999819  0.17483830 -0.10978135
   0.02517885  0.11666749  0.97232093
   0.14661343  0.60013950  0.09657700
   0.37490913  0.66919957  0.27414775
   0.12791680  0.84487524  0.03813057
   0.34132005  0.93592498  0.35536083
   0.41816437  0.91058481  0.17928819
   0.16614514  0.84003818  0.21896973
   0.32115959  0.64272810  0.44697008
   0.05836680  0.61357122  0.40230821
   0.17531464  0.47020530  0.53589310
   0.33736251  0.65835209  0.75301077
   0.14815007  0.75563450  0.54748425
   0.35945963  0.97947424  0.79434153
   0.45332230  0.90147003  0.63752680
   0.17037672  0.94614741  0.68190450
   0.27457315  0.67014366 -0.05916015
   0.01734374  0.66794994  0.92878744
   0.61617087  0.04567116  0.10824272
   0.84342336  0.20939164  0.24367673
   0.63098120  0.28320032  0.02577032
   0.83735406  0.47142073  0.37330077
   0.03525647  0.38476602  0.19548574
   0.77417463  0.44252736  0.14359271
   0.70166229  0.16953435  0.40960994
   0.45617578  0.14475597  0.43781430
   0.62000364  0.09275565  0.58954400
   0.87708922  0.22062546  0.81990255
   0.59931571  0.34708976  0.52536899
   0.83030117  0.45893996  0.87377244
   1.01336519  0.44860622  0.69567649
   0.74432974  0.41837396  0.69218414
   0.76879408  0.05500530  0.95322159
   0.49244007  0.09522383  0.93658107
   0.56179017  0.54444969  0.07567705
   0.87938533  0.70250888  0.28629347
   0.55251632  0.80767297  0.02392161
   0.84102569  0.96102942  0.33789616
   0.90424956  0.87974507  0.14905693
   0.64826862  0.82792521  0.22790326
   0.81424599  0.69977189  0.47139979
   0.57087854  0.62353509  0.39258552
   0.63763958  0.59961738  0.57503530
   0.83030951  0.71458599  0.80003633
   0.58994620  0.84924020  0.46548856
   0.95124582  0.96384459  0.83073524
   0.93101840  0.83042312  0.65879552
   0.69971498  0.94879793  0.73424887
   0.76829621  0.64982571  0.98265610
   0.54393957  0.63592749  0.89006225
   0.70319197  0.85380092  0.59353432
   0.51051931  0.87521117  0.41640174
   0.89171750  0.24310966  0.07020779
   0.88659547  0.40077028  0.34733112
   0.35231083  0.10776126  0.61766593
   0.27797002  0.73512213  0.75084265
   0.16330269  1.09537082  0.18890350
   0.25359822  1.10285915  0.05716756
   0.63546139  0.27551761  0.81858890
   0.92983070  0.50135546  0.68787445
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942021   -0.051206   -0.094809
    -0.000000    9.783508   -0.087017
    -0.000000    0.000000   13.986391
   Si   O    H 
    32    64    10
Direct configuration=  2556
   0.16480359  0.19215762 -0.00492249
   0.33537805  0.09798867  0.37222086
   0.15714518  0.43700686  0.12534659
   0.39596515  0.34033046  0.25296075
   0.06525414  0.13710618  0.48428058
   0.39079817  0.11868446  0.85128075
   0.10932012  0.37545992  0.61966010
   0.37191190  0.36093041  0.73979115
   0.14203799  0.69539443 -0.00281678
   0.42000816  0.58833571  0.36499542
   0.06414788  0.89911325  0.13992773
   0.32046631  0.83384968  0.25905289
   0.16730592  0.62612388  0.48397288
   0.38465993  0.60306373  0.86332847
   0.06354099  0.87458959  0.60360287
   0.33372817  0.98708669  0.67894690
   0.62551023  0.11790470  1.00126421
   0.82571522  0.12714859  0.35121214
   0.62051540  0.40105346  0.11160058
   0.88937814  0.32651583  0.16130298
   0.58947021  0.18444818  0.49599243
   0.90479822  0.09372123  0.89559982
   0.61970223  0.45025823  0.61883667
   0.77337414  0.34261261  0.80477626
   0.61335282  0.65833465 -0.00443832
   0.89983400  0.62335110  0.38188113
   0.56867851  0.89634962  0.13093080
   0.80937489  0.84727838  0.25515303
   0.64973407  0.69787611  0.48507520
   0.86600128  0.62082630  0.89365147
   0.61800392  0.94143574  0.62824712
   0.84692077  0.87133871  0.75691904
   0.08566087  0.06731368  0.16408617
   0.33741652  0.18062778  0.26959461
   0.16786896  0.35678176  0.02216267
   0.39236866  0.41852609  0.35416756
   0.53939418  0.33283738  0.20208058
   0.29870908  0.39534656  0.16675330
   0.21604053  0.14194667  0.44141888
  -0.03621274  0.17581378  0.39915217
   0.01291272 -0.01348870  0.52401924
   0.44385857  0.21863034  0.76733719
   0.05161044  0.24451235  0.57105673
   0.36195019  0.43688249  0.84432660
   0.48525861  0.44591708  0.68570111
   0.24717488  0.33012855  0.67246061
   0.24983732  0.17337121 -0.11000185
   0.02590617  0.11584714  0.97240655
   0.14621939  0.60234914  0.09632403
   0.37359595  0.66989892  0.27421757
   0.12688755  0.84544084  0.03784875
   0.34191633  0.93650835  0.35663807
   0.41674455  0.91112883  0.17934982
   0.16816767  0.84043063  0.22040254
   0.32209520  0.64345410  0.44638796
   0.05742484  0.61450835  0.40384078
   0.17419348  0.47098312  0.53636221
   0.33845688  0.66225963  0.75425434
   0.14693293  0.75681604  0.54733660
   0.35959947  0.97901080  0.79374313
   0.45349455  0.90019958  0.63817483
   0.17265912  0.94676712  0.68123043
   0.27482645  0.66987540 -0.05895975
   0.01518792  0.66748566  0.92934085
   0.61482309  0.04609371  0.10887851
   0.84484745  0.20937351  0.24316201
   0.63101538  0.28263643  0.02515161
   0.83825879  0.47285006  0.37403650
   0.03554656  0.38496134  0.19527137
   0.77204226  0.44199541  0.14403332
   0.70118167  0.17018960  0.41023911
   0.45445129  0.14601292  0.43749530
   0.62022324  0.09429651  0.58919026
   0.87638994  0.21948578  0.81959387
   0.60117608  0.34575509  0.52499779
   0.82944451  0.45871962  0.87453470
   1.01107888  0.44815049  0.69603788
   0.74400347  0.41928344  0.69257869
   0.76921533  0.05554226  0.95497403
   0.49228279  0.09591656  0.93681540
   0.56316031  0.54511459  0.07572760
   0.88091381  0.70089355  0.28555404
   0.55092993  0.80675268  0.02435106
   0.84009405  0.96091831  0.33663176
   0.90359628  0.87918525  0.14922176
   0.64634558  0.82735852  0.23010521
   0.81472870  0.69899865  0.47158814
   0.57102852  0.62268372  0.39308114
   0.63652141  0.60137650  0.57567352
   0.82881832  0.71552879  0.80040508
   0.58825789  0.84996226  0.46505754
   0.95243158  0.96205438  0.82992770
   0.93118178  0.83142399  0.65885713
   0.70003625  0.94781690  0.73423695
   0.76934191  0.64955061  0.98294767
   0.54403942  0.63663942  0.89040895
   0.70731849  0.85077195  0.59033826
   0.52061039  0.87799226  0.42225201
   0.88302468  0.24743017  0.07288812
   0.89109367  0.39844132  0.34080247
   0.34847060  0.10831630  0.61732839
   0.27781547  0.73871637  0.75822766
   0.17921241  1.10243114  0.19446209
   0.25904825  1.10082485  0.05282825
   0.64505262  0.27444596  0.81229348
   0.93272028  0.49777203  0.68365878
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941305   -0.051688   -0.091845
    -0.000000    9.785622   -0.088490
    -0.000000    0.000000   13.986238
   Si   O    H 
    32    64    10
Direct configuration=  2557
   0.16619799  0.19264083 -0.00496053
   0.33699800  0.09839610  0.37192658
   0.15676107  0.43766418  0.12621252
   0.39632873  0.33992147  0.25334507
   0.06523676  0.13712544  0.48506291
   0.39013589  0.11881937  0.85114967
   0.10846829  0.37614989  0.61889972
   0.37145393  0.36134622  0.73927379
   0.14281517  0.69589737 -0.00292781
   0.41850465  0.58925216  0.36495692
   0.06527549  0.90057188  0.14108710
   0.31905521  0.83327043  0.25877133
   0.16830146  0.62493733  0.48424678
   0.38483042  0.60282605  0.86397417
   0.06340211  0.87404908  0.60410418
   0.33486004  0.98863244  0.68008499
   0.62540159  0.11705481  1.00139825
   0.82600908  0.12811702  0.34939997
   0.62105451  0.40091398  0.11198300
   0.88950671  0.32665815  0.16113743
   0.58970357  0.18357723  0.49681138
   0.90668116  0.09494670  0.89507299
   0.61958215  0.45001306  0.61962839
   0.77302639  0.34235514  0.80417427
   0.61419615  0.65878763 -0.00463302
   0.89987167  0.62326512  0.38194054
   0.56912760  0.89657249  0.13105881
   0.81004726  0.84862103  0.25602883
   0.64927501  0.69856758  0.48510016
   0.86549157  0.61958807  0.89340049
   0.61816220  0.94048680  0.62790983
   0.84669387  0.87139621  0.75762831
   0.08623441  0.06647578  0.16475112
   0.33560870  0.18159630  0.27021796
   0.16527886  0.35682110  0.02252064
   0.39484049  0.41863614  0.35445061
   0.54079318  0.33316917  0.20311044
   0.29862233  0.39435797  0.16746641
   0.21535678  0.14243171  0.44148657
  -0.03574260  0.17435446  0.40015285
   0.01272363 -0.01071768  0.52469943
   0.44386044  0.21920803  0.76620436
   0.05084375  0.24398798  0.57057229
   0.36302809  0.43774651  0.84344979
   0.48532017  0.44667458  0.68551255
   0.24791667  0.33194356  0.67199391
   0.24940085  0.17227812 -0.10985802
   0.02748188  0.11531961  0.97217834
   0.14645925  0.60346939  0.09623570
   0.37239731  0.67124420  0.27340854
   0.12516914  0.84707566  0.03746487
   0.34229996  0.93652414  0.35736470
   0.41642577  0.91201242  0.17945933
   0.16968088  0.84030994  0.22236229
   0.32262724  0.64430926  0.44612642
   0.05620932  0.61482320  0.40529693
   0.17294387  0.47170937  0.53689891
   0.34008352  0.66520812  0.75607325
   0.14519543  0.75808194  0.54730031
   0.35958092  0.97894251  0.79360029
   0.45387164  0.89898335  0.63798171
   0.17414835  0.94618802  0.68061010
   0.27619158  0.66937889 -0.05924389
   0.01307964  0.66666257  0.93011006
   0.61432865  0.04793453  0.10997745
   0.84582110  0.20849693  0.24302556
   0.63165233  0.28251312  0.02429208
   0.83946209  0.47329015  0.37434648
   0.03604232  0.38492709  0.19448926
   0.77054685  0.44155861  0.14473240
   0.70054039  0.17060863  0.41105792
   0.45330818  0.14721066  0.43736845
   0.62036257  0.09535117  0.58881958
   0.87643139  0.21845381  0.81953993
   0.60346841  0.34479646  0.52439124
   0.82846936  0.45910424  0.87512005
   1.01027835  0.44709788  0.69637573
   0.74365438  0.41944859  0.69326036
   0.76984716  0.05663878  0.95682670
   0.49230622  0.09715531  0.93750136
   0.56494907  0.54517587  0.07539765
   0.88152774  0.69979944  0.28455918
   0.54994738  0.80644002  0.02473543
   0.83892887  0.96075810  0.33601177
   0.90253163  0.87826621  0.14968986
   0.64538657  0.82701350  0.23153105
   0.81529199  0.69725388  0.47191319
   0.57098444  0.62151222  0.39359173
   0.63506894  0.60334944  0.57590643
   0.82689158  0.71653054  0.80084121
   0.58697653  0.85148414  0.46541959
   0.95318288  0.96016952  0.82943562
   0.93075186  0.83256524  0.65975750
   0.70027335  0.94632940  0.73455615
   0.77067509  0.64937036  0.98353857
   0.54399933  0.63579567  0.89037030
   0.71387338  0.84350251  0.58633137
   0.52462537  0.88045267  0.42649140
   0.87638502  0.25134267  0.07392417
   0.89330889  0.40537498  0.33821194
   0.34024403  0.11005327  0.62094361
   0.27590720  0.74400396  0.76642083
   0.18031671  1.10366390  0.19659264
   0.26048090  1.10168842  0.04728643
   0.64957089  0.27544424  0.80878434
   0.92946875  0.49897988  0.67865430
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940360   -0.052178   -0.088762
    -0.000000    9.787257   -0.090271
    -0.000000    0.000000   13.986284
   Si   O    H 
    32    64    10
Direct configuration=  2558
   0.16826756  0.19346075 -0.00522551
   0.33837384  0.09907876  0.37148498
   0.15640868  0.43857821  0.12666546
   0.39622485  0.33916304  0.25341584
   0.06531879  0.13660546  0.48537340
   0.38973139  0.11883490  0.85076388
   0.10744395  0.37648044  0.61803119
   0.37156215  0.36189843  0.73852571
   0.14355170  0.69607556 -0.00297134
   0.41742800  0.58942377  0.36493187
   0.06604646  0.90259197  0.14252780
   0.31788988  0.83286930  0.25859054
   0.17013090  0.62331790  0.48470420
   0.38469965  0.60234632  0.86462173
   0.06382544  0.87384042  0.60420752
   0.33636397  0.99051979  0.68093342
   0.62625901  0.11596512  1.00187444
   0.82677213  0.12926868  0.34732865
   0.62154691  0.40072948  0.11177360
   0.88940085  0.32673862  0.16118908
   0.58966232  0.18344235  0.49727563
   0.90826241  0.09634524  0.89472547
   0.61938306  0.44961655  0.62037078
   0.77250069  0.34217520  0.80303496
   0.61507152  0.65864152 -0.00468857
   0.89926104  0.62357537  0.38240901
   0.56863427  0.89649786  0.13164706
   0.81089380  0.84942675  0.25668674
   0.64909909  0.69888491  0.48534312
   0.86473208  0.61840872  0.89331285
   0.61836100  0.93896617  0.62793249
   0.84711853  0.87187940  0.75819465
   0.08740148  0.06671724  0.16554427
   0.33369322  0.18230505  0.27124722
   0.16241047  0.35623819  0.02322247
   0.39708048  0.41909177  0.35475474
   0.54217971  0.33388367  0.20413216
   0.29875513  0.39260930  0.16891968
   0.21467449  0.14259576  0.44202143
  -0.03554912  0.17286207  0.40131521
   0.01285726 -0.00883422  0.52499035
   0.44361231  0.21946774  0.76457802
   0.04983536  0.24297379  0.57050351
   0.36351927  0.43901281  0.84294713
   0.48526539  0.44721112  0.68499718
   0.24816320  0.33333950  0.67175184
   0.24926250  0.17116115 -0.10931557
   0.02886646  0.11494209  0.97204701
   0.14689529  0.60397343  0.09618017
   0.37110075  0.67258033  0.27265078
   0.12346972  0.84934996  0.03785458
   0.34230702  0.93579948  0.35805574
   0.41476752  0.91215276  0.18004791
   0.17065413  0.83972404  0.22424354
   0.32244204  0.64590076  0.44595175
   0.05471948  0.61587900  0.40672391
   0.17247061  0.47247015  0.53694625
   0.34088854  0.66847811  0.75800860
   0.14373593  0.75925379  0.54733052
   0.36016300  0.97870881  0.79335810
   0.45440699  0.89803613  0.63740905
   0.17496225  0.94588875  0.67978596
   0.27724738  0.66923821 -0.06024242
   0.01164772  0.66578203  0.93086122
   0.61398593  0.04932602  0.11127166
   0.84627159  0.20797340  0.24323960
   0.63191545  0.28328652  0.02365778
   0.84042380  0.47237895  0.37502838
   0.03641498  0.38503203  0.19325975
   0.77004871  0.44038813  0.14625911
   0.69984249  0.17154704  0.41141379
   0.45290353  0.14858020  0.43750740
   0.62153401  0.09683120  0.58753963
   0.87703319  0.21733191  0.81933540
   0.60581012  0.34319861  0.52467929
   0.82812919  0.45952773  0.87583496
   1.01052304  0.44622490  0.69680777
   0.74272237  0.41906927  0.69408766
   0.77002460  0.05753713  0.95882941
   0.49293266  0.09820270  0.93839981
   0.56665402  0.54513149  0.07472802
   0.88174168  0.69935115  0.28378007
   0.54833778  0.80623932  0.02604321
   0.83827063  0.96055082  0.33529062
   0.90144175  0.87714355  0.15012763
   0.64485935  0.82613633  0.23237083
   0.81552503  0.69529478  0.47214565
   0.57154424  0.62208271  0.39410318
   0.63391033  0.60435086  0.57636013
   0.82548735  0.71799168  0.80127861
   0.58597391  0.85308349  0.46674288
   0.95367152  0.95856520  0.82919868
   0.93051200  0.83356541  0.66109785
   0.69950550  0.94488824  0.73494953
   0.77160866  0.64948493  0.98393609
   0.54364802  0.63454335  0.89015667
   0.72339799  0.83617838  0.58242624
   0.51164433  0.88797715  0.42011446
   0.86712830  0.25639280  0.07096222
   0.89516100  0.41787943  0.33694570
   0.33182257  0.11016807  0.62444792
   0.27863339  0.74551650  0.77337609
   0.17264246  1.09922561  0.19573302
   0.25908164  1.10666623  0.04180505
   0.64958049  0.27464239  0.80627023
   0.92759401  0.49408678  0.67222742
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939250   -0.052597   -0.085416
    -0.000000    9.789358   -0.092072
    -0.000000    0.000000   13.986401
   Si   O    H 
    32    64    10
Direct configuration=  2559
   0.16996912  0.19419310 -0.00576499
   0.33889422  0.09968764  0.37108752
   0.15683466  0.43976305  0.12675092
   0.39583089  0.33806101  0.25337647
   0.06571607  0.13632064  0.48579213
   0.38928189  0.11919281  0.85045914
   0.10726384  0.37655916  0.61781502
   0.37155113  0.36313746  0.73791087
   0.14422682  0.69577521 -0.00289496
   0.41720420  0.58917312  0.36510864
   0.06695225  0.90528545  0.14438473
   0.31767606  0.83245972  0.25892713
   0.17153791  0.62152928  0.48508857
   0.38479230  0.60172684  0.86498134
   0.06407232  0.87422813  0.60461325
   0.33700030  0.99186254  0.68156667
   0.62713871  0.11471722  1.00239441
   0.82738467  0.13074517  0.34525213
   0.62229793  0.40015521  0.11172730
   0.88905086  0.32672028  0.16096484
   0.59006801  0.18358003  0.49711511
   0.90973164  0.09764054  0.89462932
   0.61914854  0.44896153  0.62101932
   0.77180239  0.34162459  0.80180776
   0.61537220  0.65871266 -0.00462776
   0.89888171  0.62359557  0.38274640
   0.56780177  0.89606607  0.13220459
   0.81146724  0.84981339  0.25685127
   0.64946666  0.69880950  0.48595806
   0.86473032  0.61728623  0.89308062
   0.61912970  0.93713903  0.62793999
   0.84737882  0.87250201  0.75914386
   0.08829909  0.06801339  0.16637804
   0.33175191  0.18271124  0.27232271
   0.15935824  0.35487662  0.02380619
   0.39861158  0.41939682  0.35545070
   0.54374749  0.33527999  0.20529927
   0.29983030  0.39036722  0.17079771
   0.21402108  0.14305465  0.44243733
  -0.03547328  0.17160895  0.40247734
   0.01301628 -0.00744472  0.52492201
   0.44381932  0.21920164  0.76281047
   0.04888066  0.24165025  0.57076587
   0.36429277  0.43968695  0.84277876
   0.48479348  0.44744336  0.68454782
   0.24768737  0.33468465  0.67160736
   0.24877408  0.17071243 -0.10869232
   0.02916787  0.11497050  0.97162459
   0.14774060  0.60393218  0.09621945
   0.37033965  0.67404015  0.27189619
   0.12212799  0.85103195  0.03870285
   0.34220872  0.93536358  0.35874762
   0.41273740  0.91131217  0.18072480
   0.17097338  0.83884885  0.22580786
   0.32137965  0.64773980  0.44619243
   0.05394502  0.61680949  0.40803009
   0.17105222  0.47415274  0.53680133
   0.34177500  0.67113052  0.76001603
   0.14206115  0.76044527  0.54765539
   0.36086656  0.97860589  0.79354069
   0.45483623  0.89783665  0.63705751
   0.17551788  0.94567869  0.67822110
   0.27839576  0.66819577 -0.06114563
   0.01092388  0.66552469  0.93202410
   0.61397416  0.05181768  0.11204677
   0.84737849  0.20756390  0.24333818
   0.63225018  0.28415567  0.02346956
   0.84150155  0.47132516  0.37538343
   0.03668257  0.38499340  0.19245181
   0.76969304  0.43967250  0.14780189
   0.69908215  0.17290608  0.41180423
   0.45396795  0.14942382  0.43794688
   0.62283836  0.09810659  0.58679792
   0.87745348  0.21598976  0.81901166
   0.60828845  0.34195047  0.52550851
   0.82790828  0.45948379  0.87634164
   1.00975379  0.44526051  0.69729410
   0.74226907  0.41899271  0.69456302
   0.77059456  0.05819465  0.96096177
   0.49353998  0.09883079  0.93919070
   0.56756795  0.54603596  0.07365970
   0.88138750  0.70006210  0.28244289
   0.54651306  0.80633603  0.02707402
   0.83679265  0.96167658  0.33472961
   0.90015168  0.87627226  0.15106220
   0.64450716  0.82546771  0.23290295
   0.81545130  0.69378767  0.47207674
   0.57291014  0.62278583  0.39488643
   0.63224763  0.60488537  0.57669598
   0.82366047  0.71805248  0.80182334
   0.58464879  0.85484198  0.46847841
   0.95270312  0.95729059  0.82858480
   0.92946568  0.83410458  0.66296647
   0.69831836  0.94334932  0.73507442
   0.77321484  0.64996684  0.98438849
   0.54268848  0.63302567  0.89005901
   0.72687471  0.83336706  0.58212054
   0.50426031  0.89197529  0.41683806
   0.86456252  0.25714261  0.06862672
   0.90381182  0.42051363  0.33150082
   0.32267037  0.11243707  0.62719494
   0.28309508  0.74082529  0.77895035
   0.16636125  1.09670782  0.19247592
   0.25974127  1.10983294  0.04051920
   0.64773259  0.27117769  0.80895582
   0.92840883  0.48563810  0.66918555
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938494   -0.052777   -0.082108
    -0.000000    9.790990   -0.094106
    -0.000000    0.000000   13.986337
   Si   O    H 
    32    64    10
Direct configuration=  2560
   0.17238729  0.19478944 -0.00649301
   0.33899976  0.09981416  0.37115367
   0.15769359  0.44111933  0.12645392
   0.39563352  0.33732840  0.25324124
   0.06607358  0.13557736  0.48594422
   0.38895688  0.11876847  0.85026912
   0.10724332  0.37667469  0.61744016
   0.37197257  0.36443687  0.73738085
   0.14472769  0.69545233 -0.00279060
   0.41735261  0.58834629  0.36550066
   0.06824175  0.90772638  0.14592074
   0.31780949  0.83255228  0.25951780
   0.17312960  0.61944077  0.48540549
   0.38517356  0.60105772  0.86494803
   0.06440934  0.87482067  0.60501377
   0.33751617  0.99326574  0.68186449
   0.62790485  0.11400562  1.00294997
   0.82779457  0.13205564  0.34341220
   0.62304965  0.39968839  0.11151967
   0.88839308  0.32609194  0.16089898
   0.59006637  0.18385218  0.49662738
   0.91112183  0.09868220  0.89429535
   0.61890120  0.44847671  0.62153052
   0.77153396  0.34117646  0.80085512
   0.61610041  0.65872825 -0.00495369
   0.89875334  0.62384245  0.38312010
   0.56628334  0.89551213  0.13236686
   0.81217634  0.84970036  0.25646659
   0.65017831  0.69891034  0.48626244
   0.86452829  0.61686246  0.89289802
   0.62003192  0.93561793  0.62795966
   0.84793105  0.87335491  0.75998681
   0.08855533  0.06861815  0.16723771
   0.33011517  0.18321005  0.27362718
   0.15599838  0.35385887  0.02467930
   0.40022872  0.42005331  0.35639795
   0.54521437  0.33656431  0.20619821
   0.30055012  0.38852618  0.17172089
   0.21267538  0.14350171  0.44279942
  -0.03541533  0.17109776  0.40354404
   0.01380255 -0.00717714  0.52484472
   0.44411041  0.21857605  0.76151676
   0.04695092  0.24065680  0.57137172
   0.36508478  0.44045049  0.84263024
   0.48454261  0.44894459  0.68400577
   0.24638980  0.33575432  0.67149313
   0.24878072  0.17066206 -0.10803492
   0.02899737  0.11550194  0.97141520
   0.14923591  0.60315916  0.09636940
   0.36976173  0.67531355  0.27089368
   0.12100118  0.85248931  0.04004569
   0.34239958  0.93427902  0.35872010
   0.41147867  0.91138856  0.18128779
   0.17038859  0.83732079  0.22691304
   0.31983311  0.64966181  0.44695747
   0.05345901  0.61810958  0.40946404
   0.16902980  0.47553923  0.53666325
   0.34343443  0.67358815  0.76186645
   0.14006100  0.76093216  0.54777449
   0.36135637  0.97843072  0.79444320
   0.45589757  0.89738053  0.63645812
   0.17544421  0.94492524  0.67661562
   0.27984861  0.66698178 -0.06250563
   0.01084369  0.66535078  0.93340581
   0.61413540  0.05420670  0.11223314
   0.84838024  0.20687476  0.24335278
   0.63269060  0.28463107  0.02332347
   0.84210368  0.46940737  0.37529687
   0.03702573  0.38538136  0.19200277
   0.77020606  0.43863531  0.14861590
   0.69911918  0.17447595  0.41175169
   0.45468619  0.15042269  0.43831915
   0.62288372  0.09865465  0.58616196
   0.87734108  0.21483498  0.81877166
   0.61056001  0.34119886  0.52711886
   0.82841276  0.45872208  0.87609601
   1.00842418  0.44435316  0.69768914
   0.74216880  0.41919130  0.69489656
   0.77170347  0.05907125  0.96324878
   0.49362412  0.09980083  0.93957392
   0.56849958  0.54709565  0.07289085
   0.88075253  0.70149799  0.28157709
   0.54534335  0.80690344  0.02800515
   0.83551805  0.96304769  0.33454082
   0.89906723  0.87609168  0.15206830
   0.64488097  0.82514674  0.23256217
   0.81548792  0.69252354  0.47198871
   0.57422696  0.62265497  0.39560685
   0.63046253  0.60510781  0.57749861
   0.82224606  0.71777371  0.80221914
   0.58257669  0.85688511  0.46995946
   0.95176942  0.95599263  0.82819380
   0.92816417  0.83485499  0.66388758
   0.69613748  0.94186426  0.73473548
   0.77439027  0.65046712  0.98476956
   0.54216544  0.63161089  0.89094336
   0.72361418  0.83601762  0.58446585
   0.50171698  0.88987486  0.41879593
   0.86688962  0.26053937  0.06625396
   0.90905969  0.42503030  0.33069945
   0.31635242  0.11500439  0.62806692
   0.28348043  0.74470498  0.78388961
   0.17747048  1.09941009  0.19543374
   0.26554858  1.11043473  0.04533422
   0.64188437  0.26497625  0.81481797
   0.92562331  0.48105932  0.66895670
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937652   -0.052158   -0.078847
    -0.000000    9.792937   -0.096503
    -0.000000    0.000000   13.986099
   Si   O    H 
    32    64    10
Direct configuration=  2561
   0.17435654  0.19557591 -0.00685148
   0.33844951  0.10004058  0.37113807
   0.15836186  0.44177152  0.12626197
   0.39571347  0.33608731  0.25333699
   0.06648631  0.13452092  0.48597781
   0.38944944  0.11801241  0.85032296
   0.10736835  0.37610303  0.61699942
   0.37255710  0.36543694  0.73668761
   0.14438505  0.69513022 -0.00274114
   0.41750136  0.58760891  0.36637050
   0.06869908  0.90965895  0.14746508
   0.31816847  0.83292308  0.26026127
   0.17449502  0.61830569  0.48606297
   0.38468064  0.60053117  0.86466402
   0.06426128  0.87563139  0.60472784
   0.33742736  0.99354232  0.68159310
   0.62860499  0.11371602  1.00357102
   0.82820306  0.13361322  0.34247784
   0.62406289  0.39904827  0.11148543
   0.88783962  0.32619144  0.16111634
   0.59015851  0.18436839  0.49586796
   0.91253038  0.09922285  0.89446642
   0.61858968  0.44878871  0.62168957
   0.77123616  0.34057865  0.79959034
   0.61606735  0.65951808 -0.00502927
   0.89892303  0.62363401  0.38348219
   0.56481678  0.89495099  0.13225242
   0.81315437  0.84927419  0.25575122
   0.65102084  0.69886261  0.48596386
   0.86456376  0.61680412  0.89279302
   0.62036340  0.93421489  0.62777042
   0.84795277  0.87363333  0.76099065
   0.08888674  0.06846989  0.16861393
   0.32767717  0.18316108  0.27524385
   0.15288443  0.35321817  0.02507546
   0.40179105  0.42064017  0.35708153
   0.54675121  0.33735219  0.20692329
   0.30054020  0.38757039  0.17248624
   0.21223739  0.14347460  0.44295510
  -0.03566411  0.16985913  0.40409506
   0.01500582 -0.00706402  0.52494564
   0.44421693  0.21790270  0.76062022
   0.04487710  0.24026970  0.57195980
   0.36556000  0.44151653  0.84229652
   0.48353598  0.45026271  0.68365701
   0.24498757  0.33735942  0.67171905
   0.24940244  0.17180222 -0.10721935
   0.02921176  0.11700166  0.97149642
   0.15063000  0.60279738  0.09627859
   0.36986584  0.67663017  0.27019177
   0.12031584  0.85388588  0.04133010
   0.34246311  0.93365798  0.35838449
   0.41049028  0.91105443  0.18130058
   0.16922926  0.83664438  0.22823134
   0.31871214  0.65146731  0.44785013
   0.05418608  0.61913484  0.41129386
   0.16731459  0.47771393  0.53626599
   0.34503666  0.67591568  0.76363638
   0.13807109  0.76094969  0.54741049
   0.36225739  0.97786813  0.79503737
   0.45627925  0.89612233  0.63538799
   0.17614494  0.94361971  0.67494468
   0.28125177  0.66618867 -0.06329642
   0.01057206  0.66593455  0.93431957
   0.61428657  0.05633639  0.11216392
   0.84880597  0.20664985  0.24356409
   0.63262853  0.28494720  0.02339843
   0.84276542  0.46752565  0.37500915
   0.03751359  0.38581048  0.19163099
   0.77132130  0.43731323  0.14972710
   0.69910492  0.17644315  0.41161372
   0.45571842  0.15191501  0.43882922
   0.62265051  0.09781946  0.58610748
   0.87672549  0.21473262  0.81847558
   0.61241053  0.34125805  0.52874045
   0.82867837  0.45775545  0.87569729
   1.00756931  0.44414892  0.69809373
   0.74250934  0.41967505  0.69519968
   0.77243377  0.06052226  0.96469073
   0.49354835  0.10095672  0.93953024
   0.56938440  0.54905002  0.07210029
   0.88037923  0.70305275  0.28055317
   0.54364064  0.80663870  0.02972935
   0.83443840  0.96454866  0.33446966
   0.89809854  0.87656112  0.15301466
   0.64535526  0.82474250  0.23204407
   0.81601884  0.69135663  0.47231935
   0.57559263  0.62264741  0.39625056
   0.62863623  0.60517399  0.57837519
   0.82118747  0.71713271  0.80274912
   0.58085517  0.85941326  0.47074707
   0.95079235  0.95521993  0.82855963
   0.92688665  0.83622546  0.66457446
   0.69410762  0.94078507  0.73486284
   0.77494868  0.65154267  0.98551976
   0.54239863  0.63085141  0.89183020
   0.71972707  0.84409447  0.58825066
   0.50339177  0.88089949  0.42728487
   0.86936382  0.26368355  0.06453500
   0.90713875  0.42955614  0.33479672
   0.31234615  0.12018224  0.62585961
   0.28172089  0.75348785  0.78687124
   0.18315649  1.10294853  0.19659085
   0.27214377  1.11061631  0.05424445
   0.63940924  0.26371924  0.82127196
   0.92262882  0.47686508  0.66864516
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936828   -0.051440   -0.075902
    -0.000000    9.794822   -0.099565
    -0.000000    0.000000   13.985977
   Si   O    H 
    32    64    10
Direct configuration=  2562
   0.17616384  0.19616839 -0.00717742
   0.33798126  0.10036914  0.37157125
   0.15940527  0.44171605  0.12602856
   0.39626744  0.33485149  0.25341812
   0.06647878  0.13318939  0.48609725
   0.39021181  0.11789744  0.85031693
   0.10776837  0.37549272  0.61689971
   0.37313599  0.36651281  0.73601173
   0.14412437  0.69516640 -0.00269861
   0.41764350  0.58738255  0.36704336
   0.06905524  0.91150742  0.14855786
   0.31900478  0.83293620  0.26073268
   0.17532299  0.61771491  0.48689543
   0.38410788  0.60069193  0.86433312
   0.06339554  0.87669059  0.60444399
   0.33688965  0.99314981  0.68115451
   0.62893906  0.11380637  1.00434867
   0.82873614  0.13516850  0.34199455
   0.62472834  0.39851888  0.11140604
   0.88749843  0.32630056  0.16103670
   0.59006217  0.18510529  0.49518770
   0.91327403  0.09907366  0.89450575
   0.61847313  0.44883304  0.62137170
   0.77053631  0.34057035  0.79830870
   0.61584422  0.66075196 -0.00512591
   0.89842808  0.62297912  0.38392772
   0.56330403  0.89456798  0.13317173
   0.81463259  0.84876047  0.25454883
   0.65143161  0.69831019  0.48552188
   0.86459390  0.61632972  0.89281201
   0.62030499  0.93299810  0.62772153
   0.84753407  0.87364515  0.76200891
   0.08960302  0.06901281  0.16960668
   0.32619705  0.18297078  0.27615957
   0.15047433  0.35245334  0.02560121
   0.40256989  0.42154178  0.35751982
   0.54805701  0.33842234  0.20744692
   0.30067433  0.38694025  0.17271869
   0.21278781  0.14226885  0.44246839
  -0.03603667  0.16900185  0.40417369
   0.01613848 -0.00831935  0.52506543
   0.44421485  0.21753671  0.75972683
   0.04315914  0.24067144  0.57247095
   0.36589485  0.44209211  0.84165791
   0.48379830  0.45159107  0.68316376
   0.24380161  0.33865906  0.67154028
   0.24965127  0.17273446 -0.10630476
   0.02950726  0.11847615  0.97076784
   0.15227469  0.60183652  0.09556927
   0.37023023  0.67784386  0.26965298
   0.11933745  0.85515389  0.04224078
   0.34289310  0.93331065  0.35740396
   0.40986205  0.91059328  0.18144640
   0.16686394  0.83599486  0.22950148
   0.31883619  0.65323544  0.44827538
   0.05553977  0.62040935  0.41243547
   0.16630060  0.47986882  0.53625055
   0.34585108  0.67794928  0.76547951
   0.13671037  0.75930127  0.54723253
   0.36318204  0.97701244  0.79564832
   0.45636566  0.89546552  0.63409851
   0.17672170  0.94186564  0.67289594
   0.28233924  0.66627149 -0.06339068
   0.01054567  0.66616459  0.93492620
   0.61360798  0.05770669  0.11170520
   0.84915745  0.20573115  0.24320511
   0.63182547  0.28554371  0.02349330
   0.84329457  0.46618710  0.37528753
   0.03801080  0.38579385  0.19140942
   0.77298645  0.43606943  0.15108394
   0.69979674  0.17771124  0.41031757
   0.45739671  0.15247888  0.43921329
   0.62231732  0.09648269  0.58620094
   0.87496505  0.21455154  0.81790295
   0.61376719  0.34152559  0.53006124
   0.82920267  0.45732372  0.87563273
   1.00674983  0.44378975  0.69795120
   0.74337580  0.42025088  0.69571552
   0.77350912  0.06158455  0.96593454
   0.49364285  0.10275678  0.93939652
   0.57047981  0.55079027  0.07098000
   0.88049093  0.70326828  0.28036411
   0.54165519  0.80658287  0.03152630
   0.83356858  0.96622358  0.33400215
   0.89780898  0.87733497  0.15431301
   0.64596641  0.82504532  0.23168797
   0.81667970  0.69073775  0.47262492
   0.57641410  0.62234487  0.39665375
   0.62643051  0.60471922  0.57881166
   0.82108176  0.71620671  0.80324185
   0.57889614  0.86160014  0.47117772
   0.94988947  0.95557076  0.82950130
   0.92572552  0.83740099  0.66455545
   0.69246496  0.93948750  0.73467426
   0.77505135  0.65316332  0.98627697
   0.54309631  0.63088109  0.89266404
   0.71787930  0.84974882  0.59154509
   0.50430983  0.87000118  0.43552596
   0.87564154  0.26833565  0.06438707
   0.91370225  0.42699167  0.33474632
   0.31121332  0.12064415  0.62223625
   0.29055175  0.75308704  0.78714453
   0.17900299  1.10489525  0.19667726
   0.27611976  1.11367988  0.06348186
   0.64198473  0.26631825  0.82622639
   0.92250340  0.47217371  0.66964895
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936013   -0.051318   -0.072738
    -0.000000    9.796402   -0.102779
    -0.000000    0.000000   13.986038
   Si   O    H 
    32    64    10
Direct configuration=  2563
   0.17792266  0.19636530 -0.00726713
   0.33702944  0.10017476  0.37226784
   0.16079723  0.44160825  0.12559528
   0.39689227  0.33351132  0.25352703
   0.06622469  0.13168665  0.48621883
   0.39115355  0.11790551  0.85035112
   0.10781873  0.37489560  0.61703301
   0.37364581  0.36704201  0.73526904
   0.14412921  0.69590426 -0.00289585
   0.41837232  0.58795329  0.36766915
   0.06938565  0.91296192  0.14959526
   0.32002659  0.83294676  0.26164334
   0.17592477  0.61878300  0.48766654
   0.38361950  0.60039749  0.86408110
   0.06259591  0.87792000  0.60398608
   0.33543223  0.99265961  0.68077028
   0.62940762  0.11398191  1.00515458
   0.82966152  0.13617631  0.34210429
   0.62506880  0.39824126  0.11108010
   0.88765394  0.32660982  0.16125751
   0.59004027  0.18607663  0.49405576
   0.91316707  0.09879842  0.89462300
   0.61827636  0.44857617  0.62098495
   0.76923319  0.34032020  0.79748754
   0.61501301  0.66218239 -0.00539143
   0.89828123  0.62225531  0.38420486
   0.56203626  0.89430207  0.13441063
   0.81551540  0.84819836  0.25338649
   0.65162965  0.69864603  0.48516223
   0.86471611  0.61643631  0.89276876
   0.62033204  0.93249064  0.62769481
   0.84672146  0.87281610  0.76283291
   0.09117104  0.06972110  0.17069305
   0.32507496  0.18361537  0.27677885
   0.14840333  0.35159686  0.02553092
   0.40333050  0.42256017  0.35771705
   0.54962946  0.33961771  0.20749639
   0.30014122  0.38661059  0.17266326
   0.21318605  0.14067240  0.44200924
  -0.03614181  0.16842157  0.40446663
   0.01734215 -0.00965223  0.52479297
   0.44435992  0.21669894  0.75936434
   0.04159012  0.24103280  0.57326322
   0.36556394  0.44286973  0.84110562
   0.48351444  0.45266227  0.68231357
   0.24227598  0.33920223  0.67124199
   0.25002141  0.17396082 -0.10686859
   0.02958236  0.12001000  0.97028759
   0.15424917  0.60057131  0.09463874
   0.37106865  0.67817801  0.26925491
   0.11894402  0.85584558  0.04287052
   0.34475040  0.93317506  0.35626307
   0.40973542  0.91005011  0.18145185
   0.16367510  0.83562137  0.23046279
   0.31935304  0.65498862  0.44848212
   0.05737915  0.62181623  0.41286358
   0.16570922  0.48037789  0.53637395
   0.34664182  0.67965513  0.76693894
   0.13494031  0.75725156  0.54717278
   0.36413973  0.97602267  0.79612743
   0.45730595  0.89483531  0.63342354
   0.17682644  0.94019396  0.67124604
   0.28174339  0.66657733 -0.06266802
   0.01013863  0.66546428  0.93513055
   0.61277828  0.05839075  0.11138040
   0.84942403  0.20511324  0.24227171
   0.63118895  0.28634929  0.02388702
   0.84317240  0.46523534  0.37525935
   0.03857403  0.38599381  0.19130150
   0.77441977  0.43515504  0.15244866
   0.69965628  0.17920150  0.40849429
   0.45884047  0.15287066  0.43917850
   0.62262474  0.09463173  0.58603590
   0.87331606  0.21416958  0.81704049
   0.61525870  0.34283562  0.53257142
   0.82989869  0.45624980  0.87516617
   1.00680493  0.44418852  0.69796874
   0.74400628  0.42131490  0.69631870
   0.77516856  0.06283835  0.96666072
   0.49309189  0.10404890  0.93892301
   0.57124243  0.55100034  0.07024800
   0.88074063  0.70282191  0.28075025
   0.54000749  0.80680002  0.03289576
   0.83226260  0.96719221  0.33343292
   0.89833100  0.87810989  0.15610839
   0.64646237  0.82545935  0.23094504
   0.81681560  0.69035092  0.47264302
   0.57784127  0.62148236  0.39693577
   0.62516194  0.60413362  0.57920196
   0.82142825  0.71602980  0.80328913
   0.57856938  0.86329640  0.47229833
   0.94901932  0.95620137  0.83049335
   0.92439923  0.83829324  0.66406887
   0.69144571  0.93771712  0.73500613
   0.77464890  0.65479546  0.98684401
   0.54261648  0.63016066  0.89374481
   0.72449145  0.84700949  0.59228518
   0.49389409  0.85882886  0.43917185
   0.88540736  0.27369106  0.06461811
   0.91651615  0.42208965  0.33670929
   0.31491653  0.11810691  0.62025379
   0.29792156  0.75442895  0.78626893
   0.16938807  1.10654353  0.19729921
   0.27515278  1.11824978  0.06915045
   0.64689162  0.27167719  0.82989032
   0.92176908  0.46712266  0.67113836
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935294   -0.050681   -0.069713
    -0.000000    9.798202   -0.105459
    -0.000000    0.000000   13.986481
   Si   O    H 
    32    64    10
Direct configuration=  2564
   0.18038487  0.19650858 -0.00718587
   0.33566639  0.09976370  0.37357614
   0.16156608  0.44082098  0.12505484
   0.39759641  0.33230185  0.25339620
   0.06594111  0.13085937  0.48635468
   0.39271396  0.11856395  0.85045799
   0.10875076  0.37465621  0.61688876
   0.37366974  0.36755031  0.73445449
   0.14363643  0.69733612 -0.00277438
   0.41932330  0.58880736  0.36816473
   0.06873799  0.91381525  0.15029458
   0.32102914  0.83324339  0.26219756
   0.17611819  0.62091227  0.48851015
   0.38331746  0.60039806  0.86372590
   0.06190453  0.87859122  0.60338932
   0.33373287  0.99195240  0.68021668
   0.63007715  0.11443484  1.00605602
   0.82972976  0.13655926  0.34235849
   0.62568104  0.39790343  0.11050948
   0.88819544  0.32625592  0.16194485
   0.58978142  0.18685983  0.49329796
   0.91293621  0.09800935  0.89404128
   0.61859912  0.44918097  0.62070890
   0.76801174  0.33974871  0.79714456
   0.61406290  0.66348448 -0.00514791
   0.89800825  0.62213200  0.38468147
   0.56083519  0.89378347  0.13536724
   0.81601381  0.84764626  0.25253832
   0.65220780  0.69878678  0.48509798
   0.86429791  0.61645988  0.89242919
   0.61996773  0.93201863  0.62752006
   0.84591319  0.87222575  0.76349384
   0.09270451  0.07119812  0.17099812
   0.32499908  0.18464320  0.27737165
   0.14634824  0.35166520  0.02576139
   0.40358592  0.42375432  0.35724648
   0.55076504  0.34075800  0.20779796
   0.29922807  0.38604120  0.17231780
   0.21379306  0.13986351  0.44128546
  -0.03645136  0.16777885  0.40481742
   0.01806478 -0.01106841  0.52458822
   0.44469451  0.21526369  0.75888114
   0.03992178  0.24198776  0.57337015
   0.36460709  0.44296805  0.84070885
   0.48299219  0.45337868  0.68093660
   0.24120700  0.33939146  0.67131254
   0.25011338  0.17514287 -0.10804501
   0.03053592  0.12190435  0.96986574
   0.15668893  0.59863902  0.09403008
   0.37156252  0.67763642  0.26930348
   0.11857641  0.85634861  0.04368503
   0.34614320  0.93293927  0.35461533
   0.40931070  0.90990003  0.18154461
   0.16039016  0.83536788  0.23119874
   0.32028793  0.65661615  0.44854076
   0.05848370  0.62263583  0.41224043
   0.16572846  0.48000664  0.53652825
   0.34734844  0.68045554  0.76796029
   0.13356648  0.75555204  0.54742834
   0.36489735  0.97569863  0.79673598
   0.45747012  0.89475235  0.63282499
   0.17706706  0.93840293  0.66998962
   0.28025080  0.66711978 -0.06182135
   0.00959878  0.66470796  0.93528401
   0.61144291  0.05881768  0.11119652
   0.84963178  0.20552667  0.24148541
   0.63038493  0.28637118  0.02398180
   0.84332518  0.46462147  0.37504027
   0.03866947  0.38638456  0.19161583
   0.77558834  0.43455973  0.15382317
   0.69944063  0.18067510  0.40605930
   0.45953408  0.15272727  0.43896901
   0.62301629  0.09221647  0.58597982
   0.87195352  0.21282904  0.81590006
   0.61612904  0.34400727  0.53500065
   0.83126963  0.45611917  0.87490435
   1.00700665  0.44449500  0.69783372
   0.74415154  0.42187508  0.69664281
   0.77684341  0.06359158  0.96713808
   0.49253709  0.10491990  0.93888565
   0.57225943  0.55040473  0.06975150
   0.88157823  0.70158406  0.28093743
   0.53872606  0.80719096  0.03420320
   0.83140262  0.96773292  0.33266877
   0.89904052  0.87841311  0.15779794
   0.64607696  0.82662672  0.22952509
   0.81677720  0.69058864  0.47249980
   0.57923941  0.62009687  0.39678360
   0.62367530  0.60350825  0.57867698
   0.82256765  0.71565297  0.80349566
   0.57973715  0.86332792  0.47350024
   0.94807486  0.95790507  0.83190772
   0.92351177  0.83893318  0.66386813
   0.69111169  0.93569756  0.73565237
   0.77483720  0.65683712  0.98711215
   0.54205841  0.62839737  0.89440850
   0.73228786  0.83994200  0.59076558
   0.47955170  0.84771302  0.44061287
   0.89468142  0.27785923  0.06489887
   0.91578443  0.41542610  0.34083378
   0.31908232  0.11490010  0.61885589
   0.29985476  0.76406435  0.78636122
   0.17185651  1.11503725  0.20124593
   0.26923587  1.12312322  0.07076754
   0.65175306  0.27584179  0.83316216
   0.91691185  0.46266158  0.67059835
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934521   -0.050899   -0.066850
    -0.000000    9.799869   -0.107491
    -0.000000    0.000000   13.987104
   Si   O    H 
    32    64    10
Direct configuration=  2565
   0.18238597  0.19647563 -0.00689389
   0.33458589  0.09915210  0.37474038
   0.16188039  0.43987069  0.12445348
   0.39827799  0.33079069  0.25347372
   0.06558987  0.13091241  0.48662421
   0.39522461  0.11835905  0.85082099
   0.10908817  0.37464321  0.61678550
   0.37357257  0.36787348  0.73396798
   0.14329615  0.69858753 -0.00252635
   0.42080745  0.58997806  0.36816202
   0.06801783  0.91450384  0.15078926
   0.32172933  0.83351005  0.26251045
   0.17659228  0.62319356  0.48900827
   0.38272271  0.60071507  0.86353117
   0.06136534  0.87885057  0.60267394
   0.33234701  0.99162812  0.67964486
   0.63142981  0.11567130  1.00682265
   0.82934714  0.13666663  0.34282162
   0.62633958  0.39795477  0.11013848
   0.88895634  0.32550202  0.16218759
   0.59036187  0.18731928  0.49254318
   0.91236789  0.09721319  0.89356558
   0.61896883  0.44990755  0.62064375
   0.76728616  0.33983872  0.79708910
   0.61326191  0.66529198 -0.00503296
   0.89754768  0.62206421  0.38497474
   0.55979843  0.89377060  0.13621509
   0.81645668  0.84780312  0.25150925
   0.65294038  0.69886149  0.48499371
   0.86381868  0.61668577  0.89228747
   0.62016035  0.93166919  0.62702838
   0.84510348  0.87093353  0.76410594
   0.09369367  0.07280681  0.17104397
   0.32583667  0.18550599  0.27785172
   0.14493367  0.35169929  0.02620322
   0.40396688  0.42441431  0.35636103
   0.55161785  0.34187200  0.20753702
   0.29790723  0.38508631  0.17142130
   0.21407304  0.13926562  0.44082987
  -0.03753572  0.16675761  0.40508003
   0.01805025 -0.01372414  0.52354635
   0.44455637  0.21381525  0.75837200
   0.03841007  0.24176521  0.57355485
   0.36275299  0.44212419  0.83992001
   0.48330472  0.45331328  0.67966099
   0.24110331  0.33895925  0.67133924
   0.25128623  0.17572334 -0.10913363
   0.03211270  0.12397321  0.96937391
   0.15917859  0.59685477  0.09309708
   0.37171276  0.67735962  0.27000340
   0.11825610  0.85646260  0.04436067
   0.34755591  0.93302335  0.35289363
   0.40982557  0.90957129  0.18174966
   0.15773365  0.83490563  0.23236133
   0.32113713  0.65858439  0.44890434
   0.05801920  0.62263641  0.41169606
   0.16495723  0.47958449  0.53638963
   0.34775785  0.68251790  0.76832391
   0.13225592  0.75397000  0.54751921
   0.36567504  0.97457799  0.79692453
   0.45847220  0.89400426  0.63199755
   0.17788108  0.93660104  0.66858829
   0.27852588  0.66832607 -0.06087531
   0.00892785  0.66389606  0.93537423
   0.61001541  0.05889319  0.11098128
   0.84969080  0.20664026  0.23986356
   0.62907153  0.28596505  0.02538069
   0.84400947  0.46380456  0.37451610
   0.03832061  0.38812115  0.19190876
   0.77591081  0.43405673  0.15543446
   0.70000623  0.18209883  0.40443382
   0.45896739  0.15142123  0.43809703
   0.62295878  0.08977479  0.58596943
   0.87072971  0.21147127  0.81475846
   0.61598676  0.34491432  0.53776360
   0.83298807  0.45620137  0.87443522
   1.00741399  0.44474653  0.69752858
   0.74424012  0.42166293  0.69635664
   0.77864886  0.06430586  0.96747175
   0.49286034  0.10552507  0.93965348
   0.57391327  0.54886990  0.06938085
   0.88266480  0.69998930  0.28111824
   0.53830005  0.80750773  0.03560867
   0.83100322  0.96922859  0.33149343
   0.90056699  0.87948456  0.15915411
   0.64517322  0.82776173  0.22764271
   0.81671443  0.69107626  0.47271899
   0.58053836  0.61941696  0.39647601
   0.62292285  0.60333824  0.57794555
   0.82400933  0.71502940  0.80369700
   0.58062508  0.86304851  0.47419410
   0.94666743  0.95994871  0.83368364
   0.92319062  0.83937485  0.66371708
   0.69076316  0.93397891  0.73633379
   0.77499416  0.65868578  0.98705257
   0.54068169  0.62688717  0.89481746
   0.73614366  0.83299563  0.58899999
   0.47690234  0.84150828  0.44624935
   0.90330396  0.27914249  0.06443886
   0.91292325  0.41013679  0.34458794
   0.32256540  0.10978209  0.62069153
   0.30486789  0.77278793  0.78501938
   0.16903292  1.11885379  0.20582218
   0.26279648  1.12837876  0.06917348
   0.64887429  0.27867523  0.83599812
   0.91156057  0.45820340  0.67319081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933828   -0.050841   -0.064541
    -0.000000    9.801714   -0.109444
    -0.000000    0.000000   13.987793
   Si   O    H 
    32    64    10
Direct configuration=  2566
   0.18407012  0.19675283 -0.00646472
   0.33374037  0.09859343  0.37568847
   0.16255560  0.43928949  0.12386749
   0.39920818  0.32985360  0.25306744
   0.06524352  0.13088335  0.48687379
   0.39739298  0.11817774  0.85106594
   0.10879962  0.37518997  0.61683353
   0.37397626  0.36801545  0.73336052
   0.14305960  0.69942932 -0.00220163
   0.42203168  0.59128646  0.36860900
   0.06788340  0.91536831  0.15126417
   0.32183989  0.83406809  0.26287902
   0.17659480  0.62529997  0.48965352
   0.38269960  0.60111519  0.86353589
   0.06085035  0.87859939  0.60217769
   0.33131069  0.99091900  0.67902464
   0.63324926  0.11748605  1.00707017
   0.82967070  0.13619563  0.34337685
   0.62696917  0.39785879  0.11004786
   0.89007080  0.32394873  0.16181948
   0.59182736  0.18792111  0.49221786
   0.91144398  0.09593320  0.89311551
   0.61907785  0.45072107  0.62077376
   0.76742900  0.34094741  0.79726730
   0.61232910  0.66659399 -0.00502563
   0.89705511  0.62208228  0.38559825
   0.55859772  0.89374063  0.13732695
   0.81658291  0.84822897  0.25044640
   0.65314842  0.69898157  0.48470409
   0.86341087  0.61679364  0.89290014
   0.62054426  0.93119631  0.62688617
   0.84406503  0.86950683  0.76441024
   0.09437368  0.07523571  0.17125673
   0.32652706  0.18582698  0.27829096
   0.14371215  0.35136844  0.02623970
   0.40407896  0.42498787  0.35552524
   0.55246756  0.34346612  0.20770761
   0.29720237  0.38436645  0.17066366
   0.21423940  0.13840386  0.44055006
  -0.03939405  0.16685392  0.40511324
   0.01761556 -0.01598632  0.52269714
   0.44452064  0.21223277  0.75857322
   0.03669602  0.24196403  0.57344974
   0.36065654  0.44065506  0.83953068
   0.48400097  0.45377978  0.67820408
   0.24174414  0.33763422  0.67237178
   0.25262351  0.17627270 -0.10978565
   0.03307580  0.12647562  0.96902705
   0.16094410  0.59623139  0.09192776
   0.37077086  0.67630347  0.27073639
   0.11677969  0.85581729  0.04473362
   0.34919898  0.93439216  0.35198360
   0.41076588  0.90922544  0.18230698
   0.15524846  0.83439163  0.23294258
   0.32240032  0.65912351  0.44982389
   0.05751019  0.62150795  0.41073255
   0.16373090  0.47868752  0.53583111
   0.34724354  0.68478770  0.76846744
   0.13095792  0.75270824  0.54825219
   0.36661474  0.97353017  0.79758948
   0.45861442  0.89365389  0.63156640
   0.17882551  0.93514494  0.66723297
   0.27748813  0.66993422 -0.06036347
   0.00838472  0.66277211  0.93576165
   0.60839062  0.05856314  0.11108196
   0.84904515  0.20677405  0.23785209
   0.62839270  0.28591983  0.02625929
   0.84579072  0.46361986  0.37390268
   0.03762528  0.38998471  0.19258073
   0.77621206  0.43393044  0.15657912
   0.70082059  0.18357006  0.40344113
   0.45884134  0.15017378  0.43705131
   0.62332985  0.08776073  0.58586463
   0.86966122  0.20994662  0.81343207
   0.61617010  0.34544607  0.53995760
   0.83450317  0.45729040  0.87410890
   1.00799233  0.44564546  0.69665001
   0.74509769  0.42113379  0.69655178
   0.77968850  0.06498633  0.96749244
   0.49350575  0.10573595  0.94113142
   0.57561553  0.54612436  0.06913235
   0.88328722  0.69914903  0.28094617
   0.53827950  0.80833011  0.03672816
   0.83007655  0.96999368  0.33092617
   0.90238193  0.88139346  0.15979649
   0.64601308  0.82854686  0.22559812
   0.81585671  0.69079300  0.47308396
   0.58110669  0.61922747  0.39569976
   0.62283141  0.60316119  0.57751054
   0.82444019  0.71467825  0.80394714
   0.58098152  0.86185407  0.47465657
   0.94551363  0.96158532  0.83483328
   0.92354548  0.84042695  0.66365935
   0.69033352  0.93310056  0.73672716
   0.77573750  0.66036646  0.98757289
   0.53934985  0.62530302  0.89491353
   0.73519105  0.83152975  0.58912540
   0.48611512  0.84090993  0.45097492
   0.91049474  0.27632918  0.06371245
   0.91519867  0.40305789  0.34873244
   0.33015480  0.10810992  0.62170550
   0.31213713  0.77137401  0.78303003
   0.16425712  1.12080480  0.21016740
   0.25962613  1.13248992  0.06600332
   0.64615630  0.28294335  0.83732549
   0.91447897  0.45589845  0.67610274
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932933   -0.050912   -0.062620
    -0.000000    9.803131   -0.111015
    -0.000000    0.000000   13.987916
   Si   O    H 
    32    64    10
Direct configuration=  2567
   0.18488711  0.19655209 -0.00593777
   0.33340396  0.09801254  0.37674524
   0.16316270  0.43781602  0.12311784
   0.40065312  0.32961085  0.25283288
   0.06589296  0.13173860  0.48716833
   0.39949156  0.11762071  0.85164667
   0.10853995  0.37619922  0.61701565
   0.37436260  0.36815129  0.73328041
   0.14303081  0.70033155 -0.00173130
   0.42334717  0.59249032  0.36887108
   0.06720601  0.91519249  0.15197879
   0.32159243  0.83467939  0.26294070
   0.17695155  0.62675463  0.49019378
   0.38303983  0.60156664  0.86389253
   0.05987567  0.87792401  0.60208352
   0.33077236  0.98986926  0.67826810
   0.63526615  0.12007130  1.00685652
   0.82981880  0.13509518  0.34406352
   0.62810882  0.39859154  0.11002059
   0.89181257  0.32289134  0.16163284
   0.59390696  0.18815246  0.49184834
   0.91027780  0.09460384  0.89296107
   0.61898758  0.45207190  0.62106577
   0.76735525  0.34242260  0.79738689
   0.61187527  0.66721528 -0.00471280
   0.89673957  0.62239024  0.38612450
   0.55769659  0.89419183  0.13820203
   0.81636574  0.84763725  0.24945363
   0.65331642  0.69865223  0.48465324
   0.86326064  0.61664971  0.89361483
   0.62109232  0.93083737  0.62659950
   0.84265080  0.86804024  0.76471847
   0.09483811  0.07822280  0.17122490
   0.32684973  0.18679694  0.27805563
   0.14255653  0.35070242  0.02579062
   0.40453711  0.42621211  0.35516465
   0.55233663  0.34485513  0.20782321
   0.29716575  0.38298253  0.17023644
   0.21404808  0.13734408  0.44027835
  -0.04055280  0.16717829  0.40498573
   0.01764908 -0.01822750  0.52184126
   0.44424172  0.21187616  0.75927960
   0.03561617  0.24229967  0.57426870
   0.35893190  0.43942534  0.83867942
   0.48382027  0.45501186  0.67691003
   0.24221022  0.33591877  0.67355239
   0.25387075  0.17721146 -0.11056961
   0.03426722  0.12827946  0.96856945
   0.16227888  0.59611119  0.09040896
   0.37026260  0.67558474  0.27154702
   0.11614557  0.85497210  0.04515653
   0.35062660  0.93632178  0.35144596
   0.41164409  0.90907061  0.18191149
   0.15322539  0.83378574  0.23419759
   0.32362522  0.65985550  0.45053518
   0.05718265  0.62052230  0.40999264
   0.16297518  0.47761652  0.53550499
   0.34693316  0.68651331  0.76808542
   0.12964482  0.75129466  0.54886455
   0.36730496  0.97231168  0.79745112
   0.45823573  0.89359766  0.63098325
   0.17993799  0.93439024  0.66614888
   0.27698414  0.67061088 -0.06002472
   0.00845420  0.66226421  0.93612430
   0.60654297  0.05794488  0.11130074
   0.84727090  0.20625328  0.23613614
   0.62839457  0.28566581  0.02740239
   0.84713163  0.46291110  0.37304143
   0.03776385  0.39149554  0.19289433
   0.77695273  0.43415654  0.15772144
   0.70091639  0.18540056  0.40306394
   0.45925081  0.14939724  0.43606952
   0.62411207  0.08594248  0.58556857
   0.86845462  0.20880347  0.81220220
   0.61543929  0.34453555  0.54142156
   0.83526979  0.45849379  0.87308810
   1.00956781  0.44581961  0.69558804
   0.74571830  0.42069307  0.69731573
   0.78045239  0.06683941  0.96738295
   0.49463942  0.10663703  0.94329393
   0.57648306  0.54327566  0.06891115
   0.88308953  0.69842241  0.28216637
   0.53893985  0.80969376  0.03843500
   0.82895975  0.97065289  0.33030856
   0.90414699  0.88350375  0.16030241
   0.64703616  0.82964157  0.22326036
   0.81511768  0.69116740  0.47286481
   0.58100192  0.61852821  0.39494689
   0.62314468  0.60308095  0.57732940
   0.82478726  0.71398017  0.80407317
   0.58078942  0.86015028  0.47490130
   0.94394550  0.96320952  0.83622319
   0.92392176  0.84135123  0.66284741
   0.69069868  0.93223930  0.73753962
   0.77557247  0.66249053  0.98747684
   0.53739120  0.62371969  0.89517536
   0.72794180  0.83173299  0.58923292
   0.50165381  0.84314770  0.45420371
   0.91803248  0.27185046  0.06165666
   0.91823664  0.39830773  0.35353759
   0.33649467  0.11105864  0.62285476
   0.31524736  0.77800932  0.78268510
   0.15884209  1.12053446  0.21491361
   0.26148382  1.13357399  0.06536179
   0.64256792  0.29017662  0.83574485
   0.91414038  0.45325986  0.67646108
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932070   -0.050837   -0.060372
    -0.000000    9.805035   -0.112192
    -0.000000    0.000000   13.988469
   Si   O    H 
    32    64    10
Direct configuration=  2568
   0.18535378  0.19608971 -0.00558040
   0.33343863  0.09700636  0.37731875
   0.16305701  0.43684758  0.12243002
   0.40171791  0.33013803  0.25286102
   0.06629835  0.13296096  0.48793994
   0.40094942  0.11701772  0.85233146
   0.10809606  0.37738602  0.61717069
   0.37472299  0.36773371  0.73402779
   0.14315909  0.70155218 -0.00098362
   0.42428590  0.59322829  0.36927575
   0.06661611  0.91497977  0.15258950
   0.32096595  0.83526537  0.26308338
   0.17681771  0.62804469  0.49030005
   0.38287391  0.60218523  0.86400626
   0.05894450  0.87702278  0.60215917
   0.33137052  0.98831165  0.67748671
   0.63681196  0.12289053  1.00707170
   0.82981081  0.13361832  0.34424781
   0.62852625  0.39906303  0.10946826
   0.89346322  0.32192757  0.16161058
   0.59536006  0.18812334  0.49118756
   0.90966132  0.09400864  0.89263289
   0.61950481  0.45372613  0.62178777
   0.76764011  0.34389439  0.79790187
   0.61093883  0.66791949 -0.00435567
   0.89594891  0.62280177  0.38667882
   0.55639212  0.89517599  0.13903283
   0.81606644  0.84704774  0.24873827
   0.65291970  0.69811717  0.48488400
   0.86314257  0.61663972  0.89413671
   0.62173944  0.93040585  0.62636753
   0.84130012  0.86670320  0.76518260
   0.09480254  0.08099850  0.17095127
   0.32786959  0.18736571  0.27731353
   0.14130147  0.35034557  0.02596799
   0.40463875  0.42725701  0.35479328
   0.55236580  0.34557904  0.20858822
   0.29723612  0.38133237  0.17024847
   0.21354692  0.13626309  0.44077211
  -0.04182349  0.16784687  0.40488270
   0.01651424 -0.01992065  0.52045027
   0.44403945  0.21256104  0.76000698
   0.03475205  0.24162063  0.57469255
   0.35716177  0.43838420  0.83795220
   0.48295158  0.45714066  0.67599444
   0.24269400  0.33451911  0.67464338
   0.25577231  0.17852408 -0.11085398
   0.03502659  0.13002234  0.96807755
   0.16386764  0.59535414  0.08862933
   0.36971307  0.67480454  0.27232700
   0.11534554  0.85343341  0.04530511
   0.35155027  0.93770099  0.35153179
   0.41243313  0.90828761  0.18175496
   0.15144825  0.83310562  0.23576831
   0.32485275  0.66021089  0.45130174
   0.05670432  0.61993804  0.40894454
   0.16276797  0.47663172  0.53572364
   0.34677913  0.68909716  0.76705489
   0.12805028  0.74990992  0.54957968
   0.36779373  0.97132711  0.79735143
   0.45772623  0.89401397  0.63086809
   0.18129312  0.93391813  0.66528988
   0.27663227  0.67072549 -0.05972764
   0.00853102  0.66189199  0.93720844
   0.60493293  0.05693088  0.11175976
   0.84527507  0.20503135  0.23486994
   0.62811066  0.28547034  0.02749102
   0.84815155  0.46188739  0.37192923
   0.03720190  0.39379487  0.19337187
   0.77687156  0.43428275  0.15892552
   0.70034787  0.18734733  0.40347350
   0.45961181  0.14830030  0.43502895
   0.62451157  0.08474444  0.58509181
   0.86725972  0.20713462  0.81170101
   0.61559292  0.34192070  0.54211217
   0.83569280  0.45968031  0.87263420
   1.01144408  0.44652083  0.69435975
   0.74575201  0.42001931  0.69765321
   0.78114712  0.06859833  0.96727379
   0.49651561  0.10719322  0.94512698
   0.57691033  0.54111179  0.06848826
   0.88221145  0.69723712  0.28347246
   0.53952227  0.81058451  0.03894991
   0.82822109  0.97104441  0.32948985
   0.90549335  0.88573292  0.16059330
   0.64842239  0.83107192  0.22128854
   0.81415341  0.69144731  0.47284622
   0.58006492  0.61814889  0.39395247
   0.62395136  0.60303725  0.57698703
   0.82518547  0.71354858  0.80431132
   0.58333838  0.85919718  0.47570897
   0.94220882  0.96371522  0.83737909
   0.92489480  0.84136133  0.66143871
   0.69203671  0.93139439  0.73799659
   0.77480875  0.66504172  0.98809233
   0.53479550  0.62218219  0.89611213
   0.71289544  0.83516144  0.58773080
   0.48652068  0.84367897  0.44898480
   0.92338263  0.26832239  0.06151692
   0.91938246  0.39648862  0.35791869
   0.34371284  0.11552042  0.62565418
   0.31768646  0.78361319  0.78209100
   0.15612565  1.12004118  0.21960123
   0.26361606  1.13113739  0.06535719
   0.64092614  0.29701748  0.83390049
   0.91648126  0.45053813  0.67880939
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931475   -0.050753   -0.057995
    -0.000000    9.807148   -0.113150
    -0.000000    0.000000   13.989242
   Si   O    H 
    32    64    10
Direct configuration=  2569
   0.18606709  0.19470227 -0.00540757
   0.33419387  0.09607955  0.37784360
   0.16229344  0.43621732  0.12173098
   0.40256540  0.33054325  0.25297860
   0.06614941  0.13392796  0.48845031
   0.40255407  0.11687664  0.85314343
   0.10839395  0.37877992  0.61754647
   0.37502503  0.36755911  0.73452046
   0.14408711  0.70187640 -0.00042737
   0.42487616  0.59372565  0.36962580
   0.06599080  0.91491006  0.15294195
   0.31991860  0.83539488  0.26269683
   0.17648434  0.62871282  0.49017278
   0.38205878  0.60317905  0.86420740
   0.05760907  0.87593698  0.60212715
   0.33179961  0.98665780  0.67641332
   0.63827094  0.12540995  1.00730876
   0.83020382  0.13235425  0.34461431
   0.62869917  0.39935094  0.10934450
   0.89436838  0.32063553  0.16141274
   0.59691059  0.18844302  0.49103525
   0.90882426  0.09390347  0.89270940
   0.62010362  0.45561832  0.62290681
   0.76795441  0.34504201  0.79774294
   0.61012871  0.66840203 -0.00483325
   0.89535391  0.62316101  0.38701188
   0.55531099  0.89654078  0.13979113
   0.81553835  0.84654055  0.24846930
   0.65227032  0.69761035  0.48463072
   0.86280788  0.61693305  0.89452071
   0.62194710  0.93061311  0.62623978
   0.84005159  0.86525718  0.76568352
   0.09478275  0.08345414  0.17095225
   0.32842685  0.18740277  0.27643641
   0.13967735  0.35020461  0.02624412
   0.40466781  0.42899251  0.35403493
   0.55241993  0.34657087  0.20921774
   0.29727822  0.38001827  0.17072277
   0.21268824  0.13583963  0.44147353
  -0.04245139  0.16854651  0.40516980
   0.01572389 -0.02123718  0.51953310
   0.44469746  0.21324925  0.76071380
   0.03418052  0.24061633  0.57466696
   0.35575092  0.43801597  0.83742350
   0.48104057  0.45909227  0.67531774
   0.24224221  0.33278675  0.67494924
   0.25817673  0.18024387 -0.11115016
   0.03544203  0.13094151  0.96714089
   0.16534047  0.59508792  0.08726398
   0.36950796  0.67386852  0.27377208
   0.11579674  0.85212557  0.04550058
   0.35247238  0.93892332  0.35213239
   0.41229906  0.90686073  0.18142621
   0.15041007  0.83310316  0.23775627
   0.32592090  0.66021039  0.45188581
   0.05603081  0.62050395  0.40833722
   0.16251466  0.47527026  0.53579732
   0.34671933  0.69051399  0.76599762
   0.12661245  0.74908560  0.55099146
   0.36824798  0.97115614  0.79724231
   0.45694586  0.89459758  0.63084058
   0.18217715  0.93345711  0.66507150
   0.27651126  0.67035912 -0.05922163
   0.00854645  0.66155493  0.93791344
   0.60412593  0.05503767  0.11198850
   0.84256222  0.20426009  0.23331717
   0.62781200  0.28496100  0.02740073
   0.84933479  0.46110393  0.37100040
   0.03717380  0.39572567  0.19352953
   0.77615809  0.43380671  0.15950829
   0.69967051  0.18788500  0.40391712
   0.46038650  0.14749634  0.43415956
   0.62443691  0.08414769  0.58388334
   0.86524194  0.20628381  0.81142735
   0.61599745  0.34018112  0.54241562
   0.83588875  0.46046455  0.87204522
   1.01343017  0.44640726  0.69335824
   0.74561467  0.41823284  0.69781971
   0.78128354  0.07010346  0.96683041
   0.49832583  0.10802833  0.94665547
   0.57712644  0.53923132  0.06775728
   0.88072333  0.69651100  0.28488259
   0.54017234  0.81147560  0.03938603
   0.82798113  0.97093258  0.32876020
   0.90693955  0.88756016  0.16026168
   0.64967858  0.83184328  0.21947162
   0.81274492  0.69166346  0.47298187
   0.57969451  0.61702215  0.39289428
   0.62496339  0.60322830  0.57682796
   0.82553191  0.71253628  0.80464612
   0.58536356  0.85779010  0.47622570
   0.94057889  0.96209858  0.83798872
   0.92621029  0.84108905  0.66065156
   0.69365191  0.92997682  0.73839506
   0.77442815  0.66747757  0.98826548
   0.53268855  0.62135173  0.89756493
   0.70165180  0.83655625  0.58640882
   0.48023338  0.84488244  0.44646748
   0.92647119  0.26354136  0.06341379
   0.92134678  0.39521546  0.36104930
   0.35171190  0.11930214  0.62640958
   0.31876649  0.78603135  0.78248586
   0.15694279  1.11510848  0.22287011
   0.26833441  1.12782369  0.06747087
   0.63931468  0.30161288  0.83063374
   0.91390645  0.44635846  0.68115180
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930848   -0.050834   -0.055747
    -0.000000    9.808879   -0.113434
    -0.000000    0.000000   13.989632
   Si   O    H 
    32    64    10
Direct configuration=  2570
   0.18641479  0.19413724 -0.00498113
   0.33443071  0.09539689  0.37853213
   0.16165593  0.43544351  0.12102802
   0.40308266  0.33161230  0.25310803
   0.06568660  0.13448364  0.48864458
   0.40483564  0.11654109  0.85373944
   0.10882431  0.38028417  0.61786003
   0.37562658  0.36680612  0.73493854
   0.14496528  0.70274824  0.00029020
   0.42498835  0.59508149  0.37010965
   0.06556774  0.91503531  0.15353804
   0.31886164  0.83473249  0.26211960
   0.17558362  0.62884093  0.48979540
   0.38136269  0.60425830  0.86449052
   0.05624879  0.87470329  0.60249733
   0.33337219  0.98541732  0.67560254
   0.63952744  0.12711948  1.00758978
   0.83122151  0.13153507  0.34470555
   0.62897547  0.39921773  0.10910337
   0.89473958  0.31896388  0.16130906
   0.59841241  0.18872255  0.49092736
   0.90804656  0.09404140  0.89306740
   0.62078963  0.45729825  0.62389690
   0.76832639  0.34556208  0.79793660
   0.60943974  0.66878947 -0.00532088
   0.89508801  0.62329066  0.38660759
   0.55482636  0.89784870  0.13990708
   0.81526390  0.84545210  0.24796247
   0.65131341  0.69752103  0.48472911
   0.86270674  0.61779202  0.89488072
   0.62218915  0.93096695  0.62645239
   0.83913965  0.86464434  0.76574132
   0.09472580  0.08502583  0.17138800
   0.32951878  0.18673519  0.27602419
   0.13819731  0.34853604  0.02540736
   0.40458525  0.43013073  0.35295770
   0.55231604  0.34756120  0.20933417
   0.29805508  0.37905891  0.17091306
   0.21090887  0.13567392  0.44243053
  -0.04214323  0.16954765  0.40539878
   0.01494215 -0.02237103  0.51859797
   0.44524884  0.21403814  0.76165113
   0.03347044  0.23967958  0.57426565
   0.35445493  0.43782191  0.83709335
   0.47885850  0.46010479  0.67463932
   0.24221452  0.33064323  0.67534400
   0.26050576  0.18153478 -0.11092936
   0.03565087  0.13141451  0.96574092
   0.16681260  0.59576675  0.08644553
   0.36924444  0.67381070  0.27520873
   0.11566190  0.85141363  0.04545776
   0.35223790  0.94013500  0.35294881
   0.41171764  0.90552950  0.18131622
   0.14959887  0.83282475  0.23924498
   0.32638492  0.65941914  0.45204163
   0.05491904  0.62125975  0.40732303
   0.16228852  0.47455201  0.53571409
   0.34661804  0.69088046  0.76482086
   0.12507746  0.74859685  0.55218405
   0.36848491  0.97111565  0.79629501
   0.45629251  0.89507641  0.63126308
   0.18335296  0.93352464  0.66464012
   0.27683836  0.66930893 -0.05899074
   0.00846724  0.66115780  0.93867533
   0.60315333  0.05253528  0.11218055
   0.84041295  0.20379909  0.23205725
   0.62795757  0.28489996  0.02733087
   0.85011476  0.46058923  0.37053290
   0.03785300  0.39790170  0.19357910
   0.77581984  0.43387356  0.15986895
   0.69919458  0.18833688  0.40450109
   0.46143000  0.14696623  0.43327702
   0.62412675  0.08368832  0.58236296
   0.86421875  0.20473174  0.81094165
   0.61614413  0.33753898  0.54253823
   0.83551604  0.46025640  0.87064107
   1.01441635  0.44637602  0.69298738
   0.74566576  0.41747837  0.69828954
   0.78080476  0.07138459  0.96634035
   0.50001377  0.10868945  0.94765163
   0.57714822  0.53774175  0.06754335
   0.87885440  0.69622314  0.28546695
   0.54085251  0.81171577  0.03958874
   0.82760638  0.96986186  0.32760978
   0.90835451  0.88859085  0.16015012
   0.65244266  0.83259513  0.21751512
   0.81173655  0.69244737  0.47280611
   0.58017932  0.61654717  0.39194110
   0.62630944  0.60430222  0.57665262
   0.82548615  0.71111127  0.80490630
   0.58669814  0.85539035  0.47619898
   0.93908037  0.95944173  0.83879940
   0.92676887  0.83980021  0.66067092
   0.69482808  0.92910418  0.73895863
   0.77381589  0.66935034  0.98862211
   0.53139931  0.62089082  0.89910292
   0.70535120  0.82895283  0.58388268
   0.48796760  0.84658943  0.44714467
   0.92398824  0.25903385  0.06637384
   0.92471688  0.39377336  0.36338015
   0.35852001  0.12009512  0.62870877
   0.32711437  0.78429354  0.78116672
   0.15554751  1.11051191  0.22229939
   0.27350986  1.11999897  0.06774087
   0.63375683  0.30640725  0.83164382
   0.91143941  0.44296486  0.68325704
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930204   -0.050046   -0.053878
    -0.000000    9.810374   -0.113382
    -0.000000    0.000000   13.990193
   Si   O    H 
    32    64    10
Direct configuration=  2571
   0.18683895  0.19298646 -0.00470197
   0.33418231  0.09478537  0.37851636
   0.16079965  0.43471835  0.12024925
   0.40370127  0.33273447  0.25284188
   0.06512243  0.13435669  0.48872150
   0.40652017  0.11584598  0.85441845
   0.10956362  0.38122113  0.61771109
   0.37623660  0.36630927  0.73549510
   0.14551243  0.70338522  0.00070328
   0.42508927  0.59571172  0.37069335
   0.06590406  0.91582490  0.15374618
   0.31802968  0.83378944  0.26162112
   0.17466974  0.62838382  0.48947220
   0.38046993  0.60471760  0.86474636
   0.05537225  0.87331806  0.60276752
   0.33547264  0.98430738  0.67505739
   0.64094281  0.12862664  1.00799890
   0.83154470  0.13083452  0.34428036
   0.62943843  0.39939819  0.10889416
   0.89563730  0.31786848  0.16106737
   0.60012816  0.18877904  0.49122278
   0.90791519  0.09413239  0.89407192
   0.62170579  0.45869183  0.62521364
   0.76935487  0.34571629  0.79863137
   0.60930729  0.66866934 -0.00530454
   0.89520245  0.62317751  0.38616388
   0.55516461  0.89918145  0.13960449
   0.81480686  0.84479461  0.24775382
   0.65055573  0.69820343  0.48475398
   0.86291456  0.61872677  0.89526299
   0.62193941  0.93130809  0.62706429
   0.83825494  0.86438954  0.76563000
   0.09481848  0.08529988  0.17108943
   0.33049147  0.18579914  0.27602683
   0.13749683  0.34638567  0.02463758
   0.40375281  0.43180477  0.35168291
   0.55244907  0.34839834  0.20945011
   0.29833152  0.37893415  0.17109055
   0.20889902  0.13571976  0.44334531
  -0.04156728  0.17032496  0.40585575
   0.01397666 -0.02376688  0.51815405
   0.44624840  0.21615798  0.76286341
   0.03326467  0.23930029  0.57432618
   0.35372906  0.43738008  0.83704060
   0.47627067  0.46098554  0.67456739
   0.24226273  0.32883888  0.67617474
   0.26312223  0.18198950 -0.11058091
   0.03473448  0.13120771  0.96444858
   0.16736169  0.59472734  0.08544176
   0.36933004  0.67352076  0.27676581
   0.11530072  0.85097524  0.04563324
   0.35125302  0.94073744  0.35336426
   0.41001122  0.90518724  0.18157044
   0.14999852  0.83347101  0.24037867
   0.32753504  0.65907295  0.45278824
   0.05386757  0.62184677  0.40628144
   0.16291965  0.47354743  0.53529749
   0.34609053  0.69052429  0.76382198
   0.12408603  0.74792257  0.55327267
   0.36863190  0.97081749  0.79560257
   0.45617841  0.89533723  0.63162024
   0.18433187  0.93350151  0.66424336
   0.27718174  0.66878272 -0.05786582
   0.00864810  0.66148680  0.93858259
   0.60317772  0.05000064  0.11158928
   0.83787974  0.20358287  0.23133694
   0.62851013  0.28653259  0.02719547
   0.85082144  0.46064480  0.37022213
   0.03831932  0.39957589  0.19365127
   0.77591389  0.43359377  0.15973639
   0.70018447  0.18897291  0.40430516
   0.46289926  0.14720286  0.43282746
   0.62387277  0.08341825  0.58048615
   0.86406658  0.20413303  0.81130153
   0.61560532  0.33527724  0.54220409
   0.83571703  0.45984728  0.86940385
   1.01405405  0.44663575  0.69317873
   0.74572415  0.41759480  0.69866608
   0.78077973  0.07226800  0.96545351
   0.50107234  0.10919607  0.94811133
   0.57715892  0.53719461  0.06718691
   0.87710821  0.69585833  0.28610044
   0.54184950  0.81115245  0.03952704
   0.82670784  0.96811675  0.32616152
   0.91020662  0.88945580  0.15913250
   0.65528732  0.83275859  0.21595028
   0.81080421  0.69361863  0.47264301
   0.58189520  0.61608995  0.39115991
   0.62752600  0.60547060  0.57670768
   0.82480227  0.70965466  0.80518593
   0.58747631  0.85303644  0.47615987
   0.93754814  0.95721714  0.83915426
   0.92640035  0.83866534  0.66158383
   0.69514208  0.92880383  0.73916037
   0.77226853  0.67071806  0.98887169
   0.53034800  0.62045010  0.90094616
   0.71160269  0.82144866  0.58498226
   0.50789646  0.84991425  0.44894070
   0.92231299  0.24973351  0.06922654
   0.92522369  0.39613368  0.36575124
   0.36155160  0.11648182  0.63056176
   0.33404794  0.78600340  0.78024741
   0.15586333  1.10956192  0.22370401
   0.27505835  1.11772366  0.06674189
   0.62728588  0.30882462  0.83294189
   0.91812566  0.44197491  0.68544656
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929644   -0.049166   -0.052526
    -0.000000    9.811377   -0.113949
    -0.000000    0.000000   13.990727
   Si   O    H 
    32    64    10
Direct configuration=  2572
   0.18686868  0.19167370 -0.00502648
   0.33421978  0.09496179  0.37847664
   0.15978897  0.43431015  0.11949530
   0.40366683  0.33369313  0.25270401
   0.06444417  0.13439680  0.48911900
   0.40792338  0.11523330  0.85493212
   0.10978750  0.38164760  0.61747925
   0.37617144  0.36526379  0.73563033
   0.14578521  0.70372999  0.00148360
   0.42557912  0.59532480  0.37118720
   0.06667577  0.91616967  0.15420410
   0.31726389  0.83293702  0.26146057
   0.17406307  0.62765294  0.48886989
   0.37947316  0.60517073  0.86497798
   0.05475691  0.87293936  0.60319440
   0.33782442  0.98362382  0.67513682
   0.64298084  0.12968627  1.00842312
   0.83141025  0.13022437  0.34359528
   0.63057938  0.39908581  0.10921639
   0.89632390  0.31693530  0.16060975
   0.60095869  0.18852645  0.49119817
   0.90780373  0.09517923  0.89551091
   0.62238647  0.46022850  0.62638150
   0.76987843  0.34586950  0.79999071
   0.60891406  0.66889306 -0.00525083
   0.89567446  0.62298654  0.38585983
   0.55556619  0.90085676  0.13911293
   0.81477501  0.84382909  0.24766705
   0.64927332  0.69819304  0.48426753
   0.86325156  0.61892404  0.89593240
   0.62157096  0.93117139  0.62747996
   0.83833837  0.86431478  0.76493655
   0.09444205  0.08522251  0.17044028
   0.33129272  0.18490405  0.27611681
   0.13596456  0.34436699  0.02389439
   0.40161213  0.43370657  0.35044086
   0.55216756  0.34893264  0.20909935
   0.29938950  0.37919857  0.17068214
   0.20685148  0.13586364  0.44425702
  -0.04093453  0.17149345  0.40679573
   0.01300675 -0.02477056  0.51738657
   0.44797005  0.21805421  0.76457319
   0.03392701  0.23905275  0.57499676
   0.35327511  0.43683955  0.83721777
   0.47381137  0.46150287  0.67422589
   0.24199567  0.32788713  0.67658453
   0.26551029  0.18200693 -0.10969420
   0.03399841  0.13083995  0.96291846
   0.16824039  0.59334428  0.08451768
   0.36885836  0.67356382  0.27833120
   0.11430094  0.85078633  0.04583633
   0.35025339  0.94054910  0.35400682
   0.40795476  0.90423915  0.18294800
   0.15080751  0.83388422  0.24148084
   0.32933765  0.65866507  0.45350908
   0.05278297  0.62316010  0.40516141
   0.16467122  0.47230126  0.53450535
   0.34522732  0.68960628  0.76298267
   0.12375806  0.74752043  0.55468836
   0.36882731  0.97067308  0.79484127
   0.45662875  0.89530215  0.63138797
   0.18512967  0.93289904  0.66436140
   0.27818775  0.66786302 -0.05685802
   0.00980895  0.66155913  0.93906918
   0.60362709  0.04754404  0.11126092
   0.83594797  0.20270406  0.23201765
   0.62868580  0.28792114  0.02677330
   0.85084895  0.46085731  0.37024181
   0.03805353  0.40142900  0.19443441
   0.77578515  0.43264050  0.15887320
   0.70162341  0.18899645  0.40371068
   0.46500005  0.14683836  0.43289331
   0.62263277  0.08275729  0.57927764
   0.86352059  0.20447797  0.81185192
   0.61510525  0.33311128  0.54151979
   0.83545119  0.45994607  0.86802095
   1.01431114  0.44685044  0.69364181
   0.74528367  0.41732061  0.69885631
   0.77981483  0.07266583  0.96451798
   0.50216340  0.10839156  0.94816482
   0.57667767  0.53697751  0.06651546
   0.87513573  0.69599958  0.28677654
   0.54439512  0.81008371  0.03960475
   0.82533479  0.96624711  0.32468733
   0.91063110  0.88999071  0.15793722
   0.65772644  0.83305734  0.21505112
   0.81087700  0.69493814  0.47273523
   0.58312738  0.61708771  0.39082775
   0.62825348  0.60642688  0.57718238
   0.82487396  0.70793300  0.80470002
   0.58945823  0.85062208  0.47652937
   0.93513667  0.95386439  0.83905522
   0.92509502  0.83814218  0.66237090
   0.69492810  0.92754889  0.73941055
   0.77183170  0.67182900  0.98879763
   0.52976542  0.62014433  0.90290636
   0.71866269  0.81781440  0.59031861
   0.50137416  0.85335261  0.44169469
   0.92038838  0.24407078  0.06929743
   0.92277422  0.39838485  0.36788755
   0.36152935  0.11433543  0.63135543
   0.34083788  0.78980000  0.77897572
   0.15697250  1.10883968  0.22647249
   0.27228367  1.11540106  0.06336383
   0.62303055  0.31273830  0.83449756
   0.92251374  0.43829547  0.68587139
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929103   -0.047937   -0.050880
    -0.000000    9.812697   -0.114077
    -0.000000    0.000000   13.991267
   Si   O    H 
    32    64    10
Direct configuration=  2573
   0.18654329  0.19046952 -0.00513800
   0.33382421  0.09498076  0.37865291
   0.15880815  0.43387444  0.11877246
   0.40345136  0.33482150  0.25268139
   0.06383664  0.13412346  0.48951031
   0.40924303  0.11473948  0.85514222
   0.11003412  0.38132440  0.61780901
   0.37550411  0.36431430  0.73599359
   0.14609730  0.70405462  0.00267100
   0.42589438  0.59506539  0.37158778
   0.06768959  0.91685303  0.15475032
   0.31641388  0.83239008  0.26102465
   0.17320036  0.62707832  0.48856885
   0.37816772  0.60550058  0.86513410
   0.05383028  0.87320076  0.60392600
   0.34027571  0.98317796  0.67546530
   0.64452837  0.12988420  1.00861786
   0.83053005  0.13019815  0.34328486
   0.63120269  0.39961280  0.10975246
   0.89615939  0.31623120  0.16006458
   0.60180797  0.18815985  0.49114200
   0.90823023  0.09579023  0.89667940
   0.62272910  0.46116242  0.62722735
   0.77044833  0.34605742  0.80150988
   0.60824658  0.66928906 -0.00501142
   0.89647480  0.62253011  0.38575389
   0.55618464  0.90203560  0.13830595
   0.81446016  0.84206914  0.24776032
   0.64858357  0.69788246  0.48362918
   0.86407752  0.61935325  0.89630504
   0.62146283  0.93096185  0.62747310
   0.83870521  0.86398008  0.76466240
   0.09489671  0.08483496  0.16969961
   0.33236096  0.18376184  0.27603547
   0.13579587  0.34260903  0.02354635
   0.39918334  0.43591332  0.34927604
   0.55179660  0.35000988  0.20851869
   0.29934274  0.38029666  0.16997113
   0.20575652  0.13629321  0.44456940
  -0.04010005  0.17300123  0.40762092
   0.01233648 -0.02488422  0.51655490
   0.45054130  0.21982432  0.76589431
   0.03537735  0.23963511  0.57609022
   0.35288214  0.43672555  0.83812508
   0.47177686  0.46167977  0.67353342
   0.24232279  0.32781740  0.67656107
   0.26833545  0.18198411 -0.10857506
   0.03279049  0.13074581  0.96091425
   0.16886619  0.59178986  0.08464027
   0.36847404  0.67442743  0.27942802
   0.11405050  0.85091430  0.04595209
   0.34887183  0.94037693  0.35409324
   0.40547673  0.90319808  0.18343825
   0.15193516  0.83395649  0.24180502
   0.33112055  0.65830270  0.45361489
   0.05293592  0.62491761  0.40431149
   0.16711126  0.47220059  0.53320037
   0.34434469  0.68897543  0.76221798
   0.12436934  0.74700665  0.55579902
   0.36810112  0.97072995  0.79437965
   0.45692918  0.89480870  0.63148726
   0.18499148  0.93259418  0.66547234
   0.28072625  0.66678156 -0.05701171
   0.01103923  0.66085127  0.93958813
   0.60469780  0.04643451  0.11038351
   0.83428511  0.20160144  0.23300453
   0.62962359  0.28903494  0.02652029
   0.85079488  0.46165006  0.37073210
   0.03757108  0.40369168  0.19479871
   0.77626858  0.43161252  0.15793614
   0.70426700  0.18929696  0.40296926
   0.46721210  0.14721689  0.43291513
   0.62179358  0.08202889  0.57825656
   0.86253467  0.20488073  0.81205408
   0.61481842  0.33115539  0.54197591
   0.83523670  0.45944883  0.86712921
   1.01432008  0.44716801  0.69411093
   0.74452562  0.41765333  0.69905414
   0.77896096  0.07330146  0.96338789
   0.50346180  0.10756033  0.94793305
   0.57581760  0.53726531  0.06568157
   0.87217532  0.69711273  0.28697271
   0.54689600  0.80904941  0.03897621
   0.82491788  0.96449805  0.32332276
   0.91121194  0.89058412  0.15673665
   0.66016169  0.83303867  0.21484613
   0.81248697  0.69637903  0.47264511
   0.58425054  0.61824673  0.39020336
   0.62827548  0.60772500  0.57724999
   0.82530080  0.70618461  0.80424749
   0.59111674  0.84819702  0.47698391
   0.93316745  0.95092949  0.83852381
   0.92297426  0.83749879  0.66361243
   0.69390177  0.92683973  0.73945278
   0.77161321  0.67265132  0.98862233
   0.52992339  0.61986330  0.90465385
   0.71881363  0.81882113  0.59641641
   0.50124642  0.85676244  0.43821309
   0.92041125  0.24164189  0.07055299
   0.92799309  0.39810193  0.36974107
   0.36107307  0.11044968  0.63115545
   0.34474218  0.79190266  0.77878203
   0.15726111  1.11078278  0.22225127
   0.26630431  1.11480556  0.05756523
   0.62668477  0.31863089  0.83620838
   0.92020200  0.43473703  0.68466890
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928574   -0.046493   -0.049810
    -0.000000    9.813787   -0.113125
    -0.000000    0.000000   13.991930
   Si   O    H 
    32    64    10
Direct configuration=  2574
   0.18527077  0.19000608 -0.00569939
   0.33347609  0.09481172  0.37917599
   0.15731019  0.43363780  0.11773070
   0.40299507  0.33586809  0.25276737
   0.06223153  0.13370112  0.49070144
   0.41016795  0.11505898  0.85509166
   0.11095190  0.38039024  0.61832346
   0.37451451  0.36400954  0.73640294
   0.14591706  0.70417094  0.00341712
   0.42608709  0.59391975  0.37203299
   0.06832908  0.91675510  0.15517764
   0.31562620  0.83140651  0.26107438
   0.17245290  0.62601699  0.48805358
   0.37658302  0.60602120  0.86543505
   0.05204984  0.87416650  0.60441616
   0.34239940  0.98274628  0.67563580
   0.64551147  0.12968043  1.00864693
   0.82897205  0.12975920  0.34250474
   0.63220543  0.39987926  0.11060591
   0.89593042  0.31579514  0.15962881
   0.60211924  0.18779844  0.49102681
   0.90837190  0.09565971  0.89722585
   0.62290708  0.46121340  0.62793675
   0.77002147  0.34537086  0.80284101
   0.60739335  0.66911449 -0.00482331
   0.89725046  0.62188614  0.38584702
   0.55615553  0.90331589  0.13786829
   0.81404415  0.84063268  0.24779057
   0.64797471  0.69727423  0.48312640
   0.86477583  0.61991820  0.89697971
   0.62159850  0.93005660  0.62769880
   0.83932375  0.86335880  0.76475910
   0.09479780  0.08388720  0.16838887
   0.33393958  0.18258901  0.27574085
   0.13493023  0.34024594  0.02339598
   0.39650456  0.43752071  0.34829802
   0.55191020  0.35134127  0.20801822
   0.29903038  0.38075133  0.16974681
   0.20532866  0.13627724  0.44454113
  -0.03947131  0.17547324  0.40824067
   0.01099217 -0.02485421  0.51615897
   0.45260851  0.22158117  0.76705774
   0.03730955  0.24077259  0.57727077
   0.35214476  0.43744064  0.83925835
   0.47041612  0.46077547  0.67264333
   0.24220872  0.32802092  0.67628499
   0.26960249  0.18100850 -0.10740035
   0.03219250  0.13153828  0.95947526
   0.16992471  0.58966836  0.08500714
   0.36808517  0.67619029  0.28075748
   0.11415721  0.85164525  0.04587330
   0.34720538  0.93962381  0.35470951
   0.40381831  0.90162009  0.18319277
   0.15296707  0.83443781  0.24158680
   0.33216467  0.65793782  0.45441983
   0.05341170  0.62681125  0.40372415
   0.17012790  0.47343278  0.53222651
   0.34351805  0.68941474  0.76185016
   0.12439363  0.74550885  0.55681904
   0.36772560  0.97116482  0.79415643
   0.45710941  0.89434188  0.63147132
   0.18426799  0.93300003  0.66667848
   0.28350339  0.66624530 -0.05643217
   0.01363393  0.66073205  0.94026347
   0.60552102  0.04586528  0.10964567
   0.83271668  0.20060340  0.23421406
   0.63082056  0.29006473  0.02582841
   0.85186931  0.46310446  0.37082454
   0.03761667  0.40594499  0.19524072
   0.77729095  0.42999488  0.15666050
   0.70774902  0.18900829  0.40238870
   0.46942206  0.14672436  0.43309299
   0.62149653  0.08015399  0.57714135
   0.86127493  0.20512008  0.81232267
   0.61473803  0.33018245  0.54257918
   0.83423589  0.45984168  0.86650208
   1.01548753  0.44696725  0.69449769
   0.74372619  0.41779672  0.69902406
   0.77792083  0.07424292  0.96242525
   0.50470581  0.10618180  0.94714254
   0.57516269  0.53763190  0.06491672
   0.86908373  0.69758828  0.28698579
   0.54972426  0.80828826  0.03812262
   0.82415854  0.96272522  0.32257633
   0.91150509  0.89124047  0.15611538
   0.66241322  0.83299986  0.21456736
   0.81400145  0.69777023  0.47229803
   0.58538262  0.61893042  0.38935511
   0.62771323  0.60871158  0.57796105
   0.82615877  0.70433147  0.80388553
   0.59224205  0.84636156  0.47638432
   0.93089235  0.94873495  0.83840438
   0.92115429  0.83694271  0.66512964
   0.69231599  0.92641264  0.73908172
   0.77068387  0.67382909  0.98769599
   0.53002662  0.61999781  0.90566371
   0.71360903  0.82225446  0.60484258
   0.50533483  0.85965540  0.43719309
   0.91842477  0.23933503  0.07183978
   0.92677992  0.39868303  0.37172346
   0.35625176  0.11245804  0.62904937
   0.34923382  0.78605971  0.77913164
   0.16074346  1.11333222  0.21420029
   0.26174714  1.11147552  0.05489251
   0.63480142  0.32754234  0.83795203
   0.91368885  0.43143030  0.68389652
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928232   -0.044887   -0.048425
    -0.000000    9.814999   -0.111928
    -0.000000    0.000000   13.992237
   Si   O    H 
    32    64    10
Direct configuration=  2575
   0.18454254  0.18950084 -0.00598081
   0.33304190  0.09497061  0.37958892
   0.15587560  0.43327588  0.11678961
   0.40202534  0.33687544  0.25268308
   0.05992526  0.13337781  0.49188207
   0.41036649  0.11555028  0.85511901
   0.11151008  0.37869851  0.61878171
   0.37399650  0.36316327  0.73663461
   0.14560361  0.70420603  0.00357963
   0.42587140  0.59306074  0.37254822
   0.06943951  0.91676590  0.15557280
   0.31459476  0.83032206  0.26132082
   0.17156435  0.62500490  0.48735276
   0.37523240  0.60608254  0.86522812
   0.05127919  0.87465194  0.60453304
   0.34411323  0.98284277  0.67603854
   0.64559821  0.12920998  1.00901393
   0.82772373  0.12935642  0.34174325
   0.63278537  0.39991874  0.11146723
   0.89603001  0.31556577  0.15964887
   0.60239886  0.18726579  0.49120656
   0.90811736  0.09520603  0.89722629
   0.62317168  0.46136521  0.62790419
   0.76939922  0.34463210  0.80369010
   0.60708605  0.66889824 -0.00446779
   0.89819888  0.62100121  0.38553770
   0.55577980  0.90464696  0.13748678
   0.81353660  0.84003657  0.24764632
   0.64777784  0.69648834  0.48284181
   0.86566852  0.62092465  0.89763272
   0.62115299  0.92906873  0.62809848
   0.83965256  0.86287129  0.76470725
   0.09456742  0.08263468  0.16709968
   0.33626728  0.18160101  0.27520146
   0.13402566  0.33886538  0.02324513
   0.39399855  0.43794455  0.34729121
   0.55156530  0.35163082  0.20780809
   0.29824676  0.38183634  0.16947262
   0.20571400  0.13590337  0.44447275
  -0.03894074  0.17812160  0.40854429
   0.00967626 -0.02483229  0.51585621
   0.45426076  0.22329346  0.76784935
   0.03941609  0.24204684  0.57823825
   0.35175349  0.43875826  0.84104686
   0.47047323  0.45988480  0.67173774
   0.24225425  0.32815736  0.67575636
   0.27078003  0.18076698 -0.10578321
   0.03152294  0.13285420  0.95822198
   0.17020779  0.58817871  0.08592777
   0.36803665  0.67828105  0.28191863
   0.11352709  0.85306418  0.04614297
   0.34550482  0.93881101  0.35511780
   0.40349441  0.90019857  0.18257600
   0.15345516  0.83503630  0.24127983
   0.33264710  0.65752001  0.45490929
   0.05406438  0.62837913  0.40335276
   0.17294710  0.47429928  0.53208513
   0.34287987  0.68888313  0.76129676
   0.12355039  0.74405692  0.55838736
   0.36765517  0.97177366  0.79402593
   0.45830912  0.89405488  0.63134858
   0.18383331  0.93305091  0.66767020
   0.28601005  0.66580352 -0.05536197
   0.01580631  0.65963918  0.94048127
   0.60727701  0.04569231  0.10937823
   0.83105811  0.20013861  0.23605909
   0.63229009  0.29072809  0.02523550
   0.85358656  0.46443405  0.37083577
   0.03747632  0.40750092  0.19600751
   0.77811959  0.42872278  0.15451680
   0.71045683  0.18875397  0.40223960
   0.47168034  0.14603847  0.43380920
   0.62227692  0.07827166  0.57596417
   0.86038812  0.20549604  0.81203315
   0.61513468  0.32950198  0.54407126
   0.83425875  0.46134889  0.86576654
   1.01585505  0.44717235  0.69527396
   0.74334128  0.41825706  0.69928062
   0.77731696  0.07448582  0.96165734
   0.50639636  0.10509703  0.94635345
   0.57410536  0.53811800  0.06473353
   0.86613612  0.69881070  0.28607525
   0.55227654  0.80810768  0.03755682
   0.82374053  0.96161591  0.32185679
   0.91037329  0.89190768  0.15596421
   0.66413719  0.83322244  0.21358737
   0.81504501  0.69880448  0.47175477
   0.58698523  0.61859330  0.38870283
   0.62664691  0.60978677  0.57917173
   0.82707055  0.70323996  0.80312848
   0.59284903  0.84470435  0.47527725
   0.92971163  0.94689294  0.83864546
   0.91937170  0.83694253  0.66666597
   0.69104132  0.92598002  0.73906775
   0.76991211  0.67405775  0.98617373
   0.53051137  0.62042571  0.90574122
   0.70817571  0.82660607  0.60841074
   0.51706487  0.86383757  0.43999855
   0.91702406  0.23771033  0.07144450
   0.92409680  0.40056345  0.37197996
   0.35407374  0.11754219  0.62838474
   0.35144011  0.78303246  0.77909805
   0.16849595  1.11553442  0.20917417
   0.26153320  1.10464416  0.05807069
   0.63830415  0.33385252  0.83996029
   0.91219809  0.43358092  0.68556050
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927790   -0.043334   -0.046763
    -0.000000    9.816047   -0.110785
    -0.000000    0.000000   13.992275
   Si   O    H 
    32    64    10
Direct configuration=  2576
   0.18352110  0.18898004 -0.00638775
   0.33318367  0.09561258  0.38016189
   0.15468479  0.43297947  0.11614075
   0.40150255  0.33827103  0.25265816
   0.05762655  0.13335413  0.49296546
   0.41104367  0.11557929  0.85512245
   0.11208739  0.37684139  0.61922312
   0.37364579  0.36208004  0.73714993
   0.14521646  0.70410031  0.00369024
   0.42570062  0.59259206  0.37293745
   0.07025080  0.91700074  0.15567658
   0.31318655  0.82995398  0.26148183
   0.17073317  0.62404190  0.48624104
   0.37501155  0.60616908  0.86448236
   0.05027695  0.87540132  0.60448793
   0.34506594  0.98302756  0.67679434
   0.64537657  0.12881689  1.00917018
   0.82699752  0.12907900  0.34098660
   0.63235130  0.40025725  0.11221174
   0.89598244  0.31573707  0.15958396
   0.60236869  0.18594054  0.49080522
   0.90751394  0.09480467  0.89672517
   0.62295759  0.46136056  0.62771191
   0.76894825  0.34409398  0.80439269
   0.60693055  0.66877990 -0.00342968
   0.89913104  0.62032553  0.38528262
   0.55579658  0.90519447  0.13694490
   0.81329390  0.83901045  0.24680547
   0.64831590  0.69521436  0.48251757
   0.86615881  0.62189275  0.89816429
   0.62026919  0.92822178  0.62877350
   0.84017283  0.86235138  0.76466366
   0.09347686  0.08100832  0.16645980
   0.33895998  0.18004522  0.27479920
   0.13270173  0.33711424  0.02328468
   0.39197406  0.43899212  0.34645148
   0.55020223  0.35208988  0.20672400
   0.29716958  0.38236632  0.16961613
   0.20580721  0.13562817  0.44410390
  -0.03839639  0.18056310  0.40818386
   0.00796655 -0.02544609  0.51520566
   0.45644264  0.22495377  0.76856809
   0.04095237  0.24222653  0.57905645
   0.35125014  0.44076017  0.84285930
   0.47113282  0.45881023  0.67130046
   0.24250787  0.32768142  0.67554932
   0.27201328  0.17984721 -0.10377747
   0.03166439  0.13373641  0.95751002
   0.16999733  0.58787395  0.08753894
   0.36777038  0.68095540  0.28301080
   0.11305481  0.85504898  0.04591064
   0.34406973  0.93732798  0.35618234
   0.40369826  0.89857682  0.18173268
   0.15454925  0.83558265  0.24166408
   0.33330518  0.65633784  0.45591458
   0.05587962  0.62912798  0.40285383
   0.17596906  0.47502057  0.53237209
   0.34260431  0.68765869  0.76121940
   0.12307284  0.74177157  0.56035182
   0.36810151  0.97286723  0.79401833
   0.45911418  0.89400130  0.63121558
   0.18255597  0.93319135  0.66909330
   0.28688064  0.66692342 -0.05410470
   0.01669253  0.65820405  0.94052441
   0.60979024  0.04670414  0.10959126
   0.82994387  0.20057323  0.23772759
   0.63352255  0.29088345  0.02497940
   0.85494795  0.46516875  0.37123337
   0.03662273  0.40842951  0.19660517
   0.77927418  0.42711865  0.15238762
   0.71281961  0.18872945  0.40208193
   0.47273734  0.14509589  0.43423392
   0.62342310  0.07639061  0.57473462
   0.85937680  0.20622934  0.81172544
   0.61593689  0.32930522  0.54554039
   0.83423029  0.46355772  0.86554826
   1.01582118  0.44709222  0.69575562
   0.74339961  0.41786575  0.69930968
   0.77706299  0.07308553  0.96089144
   0.50883144  0.10335598  0.94571640
   0.57257888  0.53910637  0.06494538
   0.86305480  0.70002020  0.28562753
   0.55408053  0.80843410  0.03745909
   0.82295987  0.96181996  0.32173805
   0.90815257  0.89163603  0.15604416
   0.66461209  0.83332191  0.21307750
   0.81606558  0.69975552  0.47149738
   0.58804488  0.61799236  0.38848862
   0.62586829  0.61060115  0.58026178
   0.82748870  0.70386193  0.80175693
   0.59340054  0.84304355  0.47377921
   0.92912382  0.94605843  0.83881754
   0.91805158  0.83666816  0.66801214
   0.69030602  0.92578315  0.73933770
   0.76924084  0.67478512  0.98507884
   0.53097121  0.62050377  0.90476538
   0.70872822  0.82290527  0.60858737
   0.51399293  0.87058693  0.43742259
   0.91603493  0.23729845  0.07099983
   0.92343818  0.39367365  0.37193924
   0.35122082  0.12079764  0.62933125
   0.35534851  0.78887723  0.77771520
   0.17516694  1.11498027  0.20410945
   0.26072327  1.09996576  0.06098578
   0.63608476  0.33762992  0.84196151
   0.91615937  0.43904155  0.68682546
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927474   -0.041639   -0.045222
    -0.000000    9.817421   -0.109801
    -0.000000    0.000000   13.992968
   Si   O    H 
    32    64    10
Direct configuration=  2577
   0.18245501  0.18820061 -0.00646618
   0.33320984  0.09655604  0.38046584
   0.15397674  0.43299342  0.11578808
   0.40059375  0.33926593  0.25232982
   0.05595893  0.13326289  0.49355354
   0.41128890  0.11575496  0.85487775
   0.11308554  0.37505682  0.61972372
   0.37343855  0.36184258  0.73752322
   0.14544542  0.70387658  0.00360768
   0.42556499  0.59277523  0.37321706
   0.07074507  0.91773789  0.15587376
   0.31237455  0.82925748  0.26208886
   0.17018619  0.62299353  0.48553953
   0.37493682  0.60624746  0.86333187
   0.04923585  0.87622089  0.60443452
   0.34584850  0.98432736  0.67714553
   0.64458962  0.12813213  1.00940355
   0.82706186  0.12893219  0.34051887
   0.63153055  0.40122343  0.11307518
   0.89660464  0.31574418  0.16007540
   0.60306997  0.18547410  0.49014579
   0.90669747  0.09408971  0.89576194
   0.62242658  0.46073551  0.62760349
   0.76807343  0.34388640  0.80541063
   0.60709026  0.66859207 -0.00214747
   0.89942412  0.61949184  0.38498432
   0.55574454  0.90407773  0.13655969
   0.81351312  0.83837724  0.24619200
   0.64910013  0.69352093  0.48224350
   0.86666925  0.62268119  0.89859730
   0.61981177  0.92749311  0.62961625
   0.84121513  0.86211189  0.76507124
   0.09259851  0.07896212  0.16613434
   0.34122673  0.17965763  0.27472562
   0.13159198  0.33551258  0.02350332
   0.38954436  0.43980838  0.34551180
   0.54915234  0.35243649  0.20588978
   0.29622407  0.38316815  0.17002988
   0.20692330  0.13622172  0.44324017
  -0.03782075  0.18319772  0.40727376
   0.00693975 -0.02643935  0.51450354
   0.45821588  0.22630916  0.76909251
   0.04204070  0.24250230  0.57987530
   0.35070540  0.44313706  0.84420859
   0.47141751  0.45848131  0.67115091
   0.24173953  0.32693212  0.67569034
   0.27309343  0.17894408 -0.10236270
   0.03300477  0.13519692  0.95713073
   0.16937971  0.58841580  0.08851234
   0.36801548  0.68360572  0.28334253
   0.11247069  0.85707917  0.04628739
   0.34242535  0.93531654  0.35728254
   0.40382337  0.89695673  0.18054810
   0.15532555  0.83615162  0.24153720
   0.33300271  0.65434209  0.45733331
   0.05843575  0.62988664  0.40246832
   0.17842603  0.47490323  0.53253329
   0.34225921  0.68697456  0.76088407
   0.12257684  0.73917586  0.56208016
   0.36851601  0.97442145  0.79416813
   0.46044012  0.89379026  0.63116043
   0.18229667  0.93299360  0.67053241
   0.28665910  0.66790253 -0.05238076
   0.01738009  0.65673090  0.94015662
   0.61234576  0.04809706  0.10955315
   0.82934227  0.20142844  0.23930481
   0.63513741  0.29067901  0.02458052
   0.85641143  0.46489428  0.37231610
   0.03548768  0.40867409  0.19700716
   0.78116947  0.42488215  0.15006275
   0.71513767  0.18948334  0.40224500
   0.47266598  0.14366899  0.43458848
   0.62402586  0.07546187  0.57370304
   0.85891673  0.20693579  0.81108011
   0.61674377  0.32927358  0.54723788
   0.83502369  0.46649017  0.86598446
   1.01567774  0.44777861  0.69661210
   0.74378630  0.41746188  0.69930639
   0.77648096  0.07128691  0.96075521
   0.51177070  0.10175067  0.94479233
   0.57178370  0.53963261  0.06553478
   0.86035599  0.70084638  0.28546365
   0.55552282  0.80892493  0.03699593
   0.82185423  0.96212294  0.32193539
   0.90570284  0.89081074  0.15652351
   0.66376347  0.83290657  0.21205227
   0.81683588  0.70026253  0.47062572
   0.58812913  0.61657712  0.38851423
   0.62536912  0.61141761  0.58193164
   0.82698469  0.70449233  0.80032717
   0.59421606  0.84250714  0.47244652
   0.92773790  0.94637744  0.83955222
   0.91778958  0.83665628  0.66850807
   0.68863902  0.92605465  0.74002561
   0.76790715  0.67503484  0.98409793
   0.53013708  0.62073142  0.90360898
   0.71351500  0.81612749  0.60599069
   0.50729149  0.87367876  0.43702149
   0.91472480  0.23626598  0.07048012
   0.92209646  0.38691856  0.37159872
   0.34883928  0.12043760  0.63138882
   0.36127299  0.78666689  0.77638334
   0.17393738  1.11307024  0.19893718
   0.25710977  1.09899040  0.06095922
   0.63036878  0.33662900  0.84610431
   0.92336255  0.44950188  0.68610829
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927272   -0.040524   -0.044067
    -0.000000    9.818564   -0.108706
    -0.000000    0.000000   13.993399
   Si   O    H 
    32    64    10
Direct configuration=  2578
   0.18138243  0.18703067 -0.00667103
   0.33371543  0.09753992  0.38077010
   0.15356220  0.43274583  0.11559028
   0.39949913  0.34062266  0.25154882
   0.05481642  0.13282802  0.49394265
   0.41083768  0.11622453  0.85421463
   0.11449131  0.37367227  0.62018787
   0.37328818  0.36204277  0.73826627
   0.14519040  0.70284404  0.00360717
   0.42581598  0.59342216  0.37349010
   0.07085319  0.91772498  0.15559908
   0.31177109  0.82948584  0.26294949
   0.16957531  0.62229320  0.48500935
   0.37456332  0.60622962  0.86164284
   0.04884141  0.87712627  0.60459301
   0.34605280  0.98633604  0.67768247
   0.64317308  0.12749405  1.00925439
   0.82687869  0.12908628  0.33983744
   0.63104514  0.40244828  0.11358152
   0.89712692  0.31512091  0.16046205
   0.60370499  0.18506569  0.48966683
   0.90561541  0.09345801  0.89473664
   0.62232113  0.45996328  0.62737155
   0.76701634  0.34404248  0.80621439
   0.60734887  0.66779748 -0.00066282
   0.89915509  0.61888373  0.38476098
   0.55533473  0.90288683  0.13627572
   0.81447445  0.83815320  0.24569184
   0.64991509  0.69214829  0.48179275
   0.86677463  0.62238083  0.89869300
   0.61979713  0.92647488  0.63015927
   0.84105085  0.86190554  0.76573557
   0.09185022  0.07783897  0.16597383
   0.34376901  0.17994285  0.27406506
   0.13108899  0.33543929  0.02392517
   0.38754702  0.44000929  0.34432787
   0.54736693  0.35142824  0.20474479
   0.29511493  0.38380665  0.17062793
   0.20807548  0.13607336  0.44302712
  -0.03762579  0.18580627  0.40628655
   0.00659940 -0.02745330  0.51438387
   0.45986305  0.22817970  0.76928029
   0.04252292  0.24244926  0.58035256
   0.34955151  0.44501253  0.84529403
   0.47181258  0.45738845  0.67094222
   0.24080244  0.32677326  0.67585702
   0.27377712  0.17781692 -0.10124781
   0.03376862  0.13577151  0.95638490
   0.16814494  0.58937078  0.08922056
   0.36747148  0.68578894  0.28352568
   0.11213093  0.85870826  0.04638267
   0.34145274  0.93380744  0.35841454
   0.40386992  0.89567829  0.17947313
   0.15561400  0.83652605  0.24144056
   0.33296347  0.65274248  0.45918508
   0.06110521  0.63001772  0.40228209
   0.18107528  0.47485141  0.53202371
   0.34143063  0.68740243  0.76059378
   0.12095065  0.73660926  0.56312134
   0.36867789  0.97577538  0.79493559
   0.46153180  0.89365105  0.63078377
   0.18151897  0.93286905  0.67207331
   0.28586965  0.66860743 -0.05083429
   0.01729238  0.65575095  0.93985034
   0.61485881  0.04910548  0.10951587
   0.82936274  0.20333392  0.23991671
   0.63715083  0.29073626  0.02367566
   0.85760101  0.46400208  0.37361274
   0.03429755  0.40781062  0.19717851
   0.78301732  0.42402100  0.14819176
   0.71512388  0.19023346  0.40274372
   0.47179908  0.14179438  0.43507144
   0.62530973  0.07373973  0.57258309
   0.85827069  0.20768708  0.81092311
   0.61753611  0.32981142  0.54857799
   0.83578203  0.46905166  0.86694911
   1.01592032  0.44879401  0.69728577
   0.74526736  0.41620494  0.69932048
   0.77613874  0.07047800  0.96049545
   0.51453464  0.09973503  0.94350361
   0.57123844  0.54025992  0.06591876
   0.85878199  0.70148326  0.28557565
   0.55677892  0.81011097  0.03670336
   0.82068287  0.96264338  0.32237452
   0.90335072  0.88917778  0.15712997
   0.66248358  0.83351370  0.21096240
   0.81746075  0.70078896  0.47060333
   0.58771971  0.61587838  0.38864151
   0.62471342  0.61156947  0.58377005
   0.82574864  0.70473376  0.79938422
   0.59425384  0.84280143  0.47057200
   0.92713001  0.94781174  0.84008111
   0.91831178  0.83782045  0.66871073
   0.68766567  0.92728339  0.74109690
   0.76718426  0.67554843  0.98318319
   0.52959123  0.62044504  0.90231378
   0.71762765  0.80962072  0.60218858
   0.50909022  0.86932750  0.44007930
   0.91623460  0.23461383  0.07131789
   0.91767057  0.38108431  0.37537304
   0.34490969  0.11692417  0.63227288
   0.36733936  0.78025048  0.77152572
   0.17341001  1.11351345  0.19579344
   0.25662276  1.10207206  0.06001109
   0.62672754  0.33430376  0.84856590
   0.92048522  0.45879709  0.68384190
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926691   -0.038922   -0.042795
    -0.000000    9.819712   -0.108373
    -0.000000    0.000000   13.993793
   Si   O    H 
    32    64    10
Direct configuration=  2579
   0.18095964  0.18610643 -0.00675693
   0.33451637  0.09833338  0.38130051
   0.15306819  0.43283374  0.11589180
   0.39783065  0.34189879  0.25099736
   0.05415664  0.13281111  0.49431647
   0.41082360  0.11625249  0.85354308
   0.11596377  0.37296155  0.61990332
   0.37358411  0.36271715  0.73911892
   0.14488639  0.70147436  0.00353374
   0.42624427  0.59446390  0.37375178
   0.07091939  0.91706778  0.15550514
   0.31106334  0.82963817  0.26410071
   0.16913761  0.62187484  0.48441471
   0.37508278  0.60608076  0.86003089
   0.04901391  0.87729056  0.60465496
   0.34582404  0.98827255  0.67818481
   0.64158218  0.12733511  1.00915106
   0.82708017  0.12891453  0.33913096
   0.63012499  0.40294162  0.11409103
   0.89783206  0.31457037  0.16097024
   0.60401039  0.18526570  0.48956518
   0.90507249  0.09339697  0.89357061
   0.62247175  0.45967900  0.62671861
   0.76618664  0.34398739  0.80692921
   0.60773005  0.66679555  0.00070208
   0.89910681  0.61870975  0.38402313
   0.55560735  0.90133638  0.13631195
   0.81519435  0.83887691  0.24496491
   0.65092903  0.69063943  0.48171039
   0.86697505  0.62185714  0.89893091
   0.61983097  0.92578025  0.63062198
   0.84063728  0.86152089  0.76651035
   0.09009012  0.07727355  0.16539908
   0.34642777  0.18033777  0.27386206
   0.13123974  0.33532779  0.02461758
   0.38592188  0.43964604  0.34306369
   0.54681600  0.34976381  0.20362299
   0.29359364  0.38424707  0.17111184
   0.20888074  0.13544942  0.44326526
  -0.03814563  0.18742219  0.40521482
   0.00692030 -0.02791005  0.51469718
   0.46123356  0.22977882  0.76886247
   0.04257780  0.24185386  0.58084335
   0.34841369  0.44583843  0.84589793
   0.47157556  0.45575636  0.67113780
   0.24047122  0.32579951  0.67625897
   0.27472824  0.17657192 -0.10014701
   0.03388742  0.13660180  0.95547258
   0.16734925  0.59007764  0.08973139
   0.36663465  0.68709274  0.28350375
   0.11192642  0.86003460  0.04712936
   0.33998412  0.93245682  0.35968451
   0.40327040  0.89529534  0.17803483
   0.15499110  0.83700187  0.24131636
   0.33263323  0.65112753  0.46105920
   0.06329350  0.63008942  0.40182075
   0.18359673  0.47454827  0.53158153
   0.34120591  0.68784316  0.75997887
   0.11943979  0.73448235  0.56363614
   0.36972230  0.97637836  0.79610460
   0.46188349  0.89404561  0.63015071
   0.17979387  0.93324531  0.67232715
   0.28540103  0.66942228 -0.04971930
   0.01714953  0.65536568  0.93932792
   0.61683156  0.04962788  0.10963391
   0.82930449  0.20532708  0.24053303
   0.63858103  0.29026994  0.02329778
   0.85825184  0.46276595  0.37461049
   0.03332373  0.40674274  0.19741733
   0.78432064  0.42406492  0.14651757
   0.71395852  0.19119972  0.40341806
   0.47074374  0.14000839  0.43609049
   0.62722041  0.07214229  0.57216043
   0.85740590  0.20862033  0.81076391
   0.61788757  0.33080656  0.54972610
   0.83584281  0.47062347  0.86744199
   1.01552700  0.44959298  0.69829136
   0.74617425  0.41488762  0.69928318
   0.77538965  0.06903989  0.96025500
   0.51683454  0.09758671  0.94235039
   0.57067060  0.54058877  0.06610057
   0.85688750  0.70139214  0.28611650
   0.55732346  0.81120072  0.03769978
   0.81988940  0.96359835  0.32305437
   0.90208469  0.88870863  0.15728638
   0.66116507  0.83378096  0.20957779
   0.81721406  0.70022125  0.47029652
   0.58659396  0.61454788  0.38885778
   0.62460512  0.61090540  0.58520165
   0.82334265  0.70519697  0.79889175
   0.59412097  0.84377363  0.46883740
   0.92641813  0.94904807  0.84049505
   0.91929213  0.83896669  0.66864670
   0.68697573  0.92831723  0.74239052
   0.76584662  0.67664578  0.98261697
   0.52873379  0.62002356  0.90117508
   0.71354818  0.80679074  0.60036342
   0.51341501  0.86247640  0.44232673
   0.91951564  0.23660384  0.07232309
   0.91028296  0.38264438  0.38152929
   0.34334072  0.11080052  0.63385949
   0.37335685  0.77764320  0.76499652
   0.17576764  1.11611254  0.19285456
   0.25316619  1.10642189  0.06091219
   0.62579531  0.33209728  0.84853818
   0.91621607  0.46942651  0.68312824
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926382   -0.037062   -0.041589
    -0.000000    9.821310   -0.107670
    -0.000000    0.000000   13.994170
   Si   O    H 
    32    64    10
Direct configuration=  2580
   0.18049603  0.18484917 -0.00737478
   0.33626612  0.09844140  0.38192496
   0.15256637  0.43320742  0.11700454
   0.39586235  0.34223910  0.25055679
   0.05344722  0.13300443  0.49483779
   0.41040037  0.11619898  0.85316437
   0.11768930  0.37316694  0.61965193
   0.37436504  0.36313103  0.73957579
   0.14526773  0.70051165  0.00372170
   0.42655923  0.59498923  0.37448169
   0.07053332  0.91612895  0.15480169
   0.30988283  0.83005817  0.26546182
   0.16868680  0.62167120  0.48406168
   0.37558351  0.60615594  0.85882806
   0.04953256  0.87694089  0.60429337
   0.34535651  0.98944997  0.67876683
   0.63944562  0.12691390  1.00909025
   0.82777753  0.12785787  0.33850253
   0.62923206  0.40342731  0.11452659
   0.89794936  0.31438782  0.16214601
   0.60425963  0.18562081  0.48983983
   0.90430611  0.09380542  0.89275027
   0.62230986  0.45876281  0.62626825
   0.76533637  0.34378393  0.80741050
   0.60811096  0.66563152  0.00184917
   0.89922603  0.61901605  0.38334722
   0.55600581  0.89921404  0.13658176
   0.81544015  0.83948226  0.24420801
   0.65233639  0.68933105  0.48175652
   0.86668736  0.62267545  0.89962271
   0.62006360  0.92531155  0.63102300
   0.83983818  0.86099955  0.76710719
   0.08894120  0.07690013  0.16551798
   0.34961913  0.18097554  0.27391518
   0.13117888  0.33532074  0.02519206
   0.38493871  0.43894697  0.34196099
   0.54648224  0.34891941  0.20276082
   0.29228510  0.38416274  0.17169663
   0.20858123  0.13479947  0.44352993
  -0.03890100  0.18876996  0.40425086
   0.00667172 -0.02795686  0.51493529
   0.46175889  0.23116725  0.76874714
   0.04191822  0.24058763  0.58097087
   0.34674656  0.44597167  0.84599846
   0.47087990  0.45330245  0.67116543
   0.24122074  0.32387961  0.67719044
   0.27593526  0.17550119 -0.09842361
   0.03388079  0.13715928  0.95505090
   0.16664024  0.59115328  0.08977052
   0.36591209  0.68801361  0.28385511
   0.11154465  0.86061218  0.04824573
   0.33936284  0.93092963  0.36036867
   0.40231038  0.89525843  0.17664797
   0.15433899  0.83689266  0.24069596
   0.33291242  0.64948930  0.46267821
   0.06440455  0.62932998  0.40148299
   0.18487409  0.47426708  0.53179244
   0.34099692  0.68758672  0.75974913
   0.11699952  0.73212096  0.56488829
   0.37076556  0.97729335  0.79715617
   0.46231543  0.89388183  0.62940165
   0.17792957  0.93440470  0.67258879
   0.28608767  0.66936089 -0.04913967
   0.01672799  0.65511916  0.93827668
   0.61900392  0.04984163  0.10996569
   0.83009490  0.20791709  0.24055971
   0.63889350  0.28990629  0.02303425
   0.85735368  0.46109616  0.37580734
   0.03288260  0.40574482  0.19806940
   0.78424110  0.42466938  0.14465049
   0.71336847  0.19238267  0.40408970
   0.46981771  0.13878819  0.43713096
   0.62851925  0.07064637  0.57186991
   0.85715056  0.20988363  0.81093897
   0.61820015  0.33164349  0.55049804
   0.83583732  0.47192283  0.86801496
   1.01524127  0.45023962  0.69893079
   0.74659005  0.41336872  0.69899476
   0.77464029  0.06710221  0.96040659
   0.51771356  0.09556579  0.94063254
   0.57041142  0.54076324  0.06666086
   0.85560502  0.70039319  0.28684611
   0.55762536  0.81109563  0.03846126
   0.81884333  0.96394607  0.32371125
   0.90215814  0.88865741  0.15724890
   0.66045047  0.83474039  0.20794088
   0.81729121  0.69969952  0.46968228
   0.58530364  0.61358901  0.38908005
   0.62472745  0.61007634  0.58624152
   0.82144387  0.70545451  0.79875221
   0.59445676  0.84467862  0.46788183
   0.92561262  0.95033473  0.84131100
   0.92042724  0.83914999  0.66829913
   0.68665210  0.92980719  0.74401109
   0.76526604  0.67841848  0.98250803
   0.52773736  0.62010572  0.89986757
   0.70414678  0.81289270  0.59888823
   0.50047006  0.85853546  0.43809301
   0.92325231  0.23940071  0.07355767
   0.90715048  0.38236557  0.38905718
   0.34006223  0.11629213  0.63013652
   0.38168313  0.78480778  0.76068030
   0.17379384  1.11716191  0.19139708
   0.25252471  1.10486621  0.06131354
   0.62839377  0.33050288  0.84728174
   0.91720073  0.47739773  0.68310870
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925781   -0.035428   -0.040152
    -0.000000    9.822642   -0.107219
    -0.000000    0.000000   13.994720
   Si   O    H 
    32    64    10
Direct configuration=  2581
   0.17990767  0.18353815 -0.00815611
   0.33802443  0.09846757  0.38217985
   0.15175292  0.43338443  0.11790317
   0.39418247  0.34180412  0.25007377
   0.05304862  0.13265582  0.49494050
   0.40983329  0.11719551  0.85305909
   0.11899330  0.37455084  0.61956816
   0.37483693  0.36339583  0.74006840
   0.14527333  0.69982079  0.00383430
   0.42648732  0.59536623  0.37489245
   0.06963691  0.91496331  0.15436238
   0.30915493  0.83095967  0.26634884
   0.16925813  0.62170884  0.48425446
   0.37599264  0.60615500  0.85769960
   0.05086402  0.87641265  0.60355009
   0.34486097  0.99024149  0.67951826
   0.63811811  0.12604592  1.00870682
   0.82850828  0.12726257  0.33757036
   0.62864635  0.40414549  0.11555441
   0.89858624  0.31432142  0.16306604
   0.60461966  0.18541152  0.49048431
   0.90363088  0.09496132  0.89198567
   0.62167587  0.45812606  0.62571540
   0.76431776  0.34399889  0.80791067
   0.60784932  0.66446099  0.00281313
   0.89950605  0.61942385  0.38262290
   0.55641770  0.89748420  0.13654271
   0.81521299  0.84073803  0.24355529
   0.65339012  0.68808276  0.48224380
   0.86577777  0.62304326  0.90043726
   0.62059206  0.92480637  0.63089192
   0.83894408  0.86014787  0.76775386
   0.08784615  0.07729052  0.16590500
   0.35330581  0.18170579  0.27492832
   0.13080210  0.33458935  0.02513984
   0.38458571  0.43992756  0.34093607
   0.54677680  0.34800228  0.20228211
   0.29111146  0.38456380  0.17230927
   0.20851992  0.13413240  0.44422737
  -0.03950872  0.18941960  0.40321547
   0.00680401 -0.02732759  0.51504909
   0.46200415  0.23163461  0.76878481
   0.04180414  0.23867956  0.58146040
   0.34529839  0.44504669  0.84548189
   0.47016669  0.45065436  0.67085753
   0.24251776  0.32110222  0.67789461
   0.27758347  0.17464526 -0.09713256
   0.03410245  0.13723393  0.95455202
   0.16575457  0.59301195  0.09024311
   0.36575278  0.68814373  0.28449213
   0.11127032  0.86089820  0.04899967
   0.33884055  0.92895785  0.36084983
   0.40164434  0.89562045  0.17591350
   0.15345104  0.83679388  0.23982639
   0.33279980  0.64800515  0.46398059
   0.06497394  0.62792647  0.40071591
   0.18712802  0.47335982  0.53303765
   0.34178604  0.68768994  0.75978282
   0.11514573  0.73103389  0.56574453
   0.37166898  0.97877065  0.79862501
   0.46283242  0.89335636  0.62882872
   0.17593575  0.93626080  0.67252957
   0.28684622  0.66902430 -0.04857174
   0.01609210  0.65531575  0.93737005
   0.62026478  0.04966315  0.11014106
   0.83085279  0.21009927  0.24122825
   0.63972229  0.29003676  0.02307635
   0.85651381  0.46069246  0.37675223
   0.03233270  0.40395442  0.19835973
   0.78434847  0.42570110  0.14322286
   0.71322383  0.19373496  0.40500227
   0.46861537  0.13828361  0.43798242
   0.62948599  0.06989551  0.57153748
   0.85753271  0.21060012  0.81103041
   0.61868531  0.33154773  0.55103718
   0.83554758  0.47264777  0.86810770
   1.01572874  0.45108378  0.69973663
   0.74647576  0.41222933  0.69856973
   0.77360793  0.06520224  0.96096113
   0.51906422  0.09347300  0.93874292
   0.57020999  0.54051661  0.06747565
   0.85502935  0.69887414  0.28745057
   0.55705468  0.81138154  0.03937049
   0.81856353  0.96400792  0.32411002
   0.90236042  0.88954261  0.15693096
   0.66072214  0.83504347  0.20691050
   0.81714459  0.69913308  0.46889727
   0.58422055  0.61227291  0.38884546
   0.62474535  0.60946862  0.58691093
   0.82021553  0.70560434  0.79893308
   0.59426885  0.84549145  0.46675993
   0.92461244  0.95089555  0.84195536
   0.92108466  0.84038685  0.66827434
   0.68650136  0.93121179  0.74506047
   0.76541811  0.68001470  0.98202014
   0.52640379  0.62019777  0.89844257
   0.69603492  0.82079069  0.59703737
   0.49329041  0.85133028  0.43631608
   0.92840519  0.23964952  0.07572079
   0.91079085  0.37593844  0.39977105
   0.34110811  0.12792391  0.62839936
   0.38544758  0.78333592  0.75705906
   0.16697042  1.11831760  0.18958528
   0.25410087  1.10393748  0.06230545
   0.63288500  0.32920585  0.84665011
   0.92657106  0.48013876  0.68423386
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924796   -0.033875   -0.038844
    -0.000000    9.824024   -0.107131
    -0.000000    0.000000   13.995337
   Si   O    H 
    32    64    10
Direct configuration=  2582
   0.17961294  0.18203987 -0.00898549
   0.33943313  0.09845189  0.38193704
   0.15049148  0.43328220  0.11871249
   0.39305146  0.34167933  0.24963821
   0.05237982  0.13308010  0.49447064
   0.40928892  0.11803893  0.85281396
   0.11944744  0.37601282  0.61972021
   0.37557393  0.36411720  0.74042183
   0.14543952  0.69928635  0.00444630
   0.42705071  0.59593407  0.37508674
   0.06832301  0.91438035  0.15410784
   0.30891156  0.83181627  0.26718728
   0.17062619  0.62178186  0.48457399
   0.37589271  0.60625947  0.85698955
   0.05234721  0.87621341  0.60283383
   0.34491180  0.99060183  0.68051418
   0.63712633  0.12581994  1.00847657
   0.82876393  0.12666218  0.33694755
   0.62812287  0.40406014  0.11647695
   0.89960161  0.31426192  0.16435169
   0.60524164  0.18525422  0.49117928
   0.90360432  0.09584211  0.89147418
   0.62143792  0.45685081  0.62540073
   0.76316735  0.34435460  0.80861504
   0.60797954  0.66342639  0.00331839
   0.89985678  0.61986265  0.38194391
   0.55693191  0.89646100  0.13655364
   0.81438048  0.84221565  0.24325209
   0.65415089  0.68696439  0.48279714
   0.86448491  0.62308700  0.90098486
   0.62161465  0.92383421  0.63066976
   0.83823457  0.85960941  0.76803298
   0.08685643  0.07737869  0.16606497
   0.35681763  0.18265056  0.27576385
   0.13091207  0.33481116  0.02478628
   0.38399041  0.44129313  0.34068647
   0.54537229  0.34737778  0.20196743
   0.28951210  0.38587238  0.17237640
   0.20833655  0.13306063  0.44528992
  -0.04033891  0.19007859  0.40270806
   0.00818243 -0.02575087  0.51526567
   0.46241847  0.23188652  0.76900454
   0.04113590  0.23642163  0.58179261
   0.34457936  0.44394346  0.84475224
   0.46968636  0.44800507  0.67099588
   0.24416927  0.31828292  0.67924666
   0.27875552  0.17437171 -0.09578162
   0.03340663  0.13716303  0.95417321
   0.16570991  0.59457818  0.09089683
   0.36658444  0.68834007  0.28468454
   0.11071820  0.86099467  0.04960495
   0.33886755  0.92669193  0.36113211
   0.40137038  0.89485719  0.17586731
   0.15233805  0.83585168  0.23866444
   0.33222517  0.64662064  0.46489689
   0.06536823  0.62673803  0.39992049
   0.18874397  0.47254805  0.53459478
   0.34241890  0.68773902  0.76000169
   0.11324459  0.72979659  0.56607791
   0.37287862  0.97970263  0.80008329
   0.46177315  0.89311162  0.62873787
   0.17417364  0.93815442  0.67233828
   0.28708877  0.66964145 -0.04773957
   0.01587591  0.65523398  0.93677218
   0.62121486  0.04924471  0.11047317
   0.83255154  0.21182320  0.24131595
   0.64025693  0.29045992  0.02316314
   0.85565978  0.45953490  0.37772148
   0.03101815  0.40208527  0.19812740
   0.78472564  0.42686673  0.14162101
   0.71335960  0.19591525  0.40542834
   0.46757754  0.13773444  0.43965037
   0.62969451  0.06886832  0.57097381
   0.85772575  0.21091615  0.81073818
   0.61857941  0.33167620  0.55074859
   0.83518356  0.47293312  0.86815478
   1.01760932  0.45150653  0.70020086
   0.74592028  0.41014431  0.69816137
   0.77254330  0.06368550  0.96120273
   0.51872383  0.09166297  0.93632535
   0.57007876  0.54088329  0.06803008
   0.85501900  0.69710725  0.28800187
   0.55628601  0.81211919  0.04014324
   0.81815290  0.96376106  0.32477068
   0.90318153  0.88965558  0.15673066
   0.66097072  0.83505722  0.20607261
   0.81751252  0.69879311  0.46792736
   0.58369886  0.61073800  0.38809596
   0.62465694  0.60928536  0.58739295
   0.81898389  0.70597987  0.79969972
   0.59355776  0.84653652  0.46578652
   0.92385887  0.95029626  0.84254499
   0.92214574  0.84225953  0.66687508
   0.68698312  0.93267021  0.74578099
   0.76576137  0.68220288  0.98181002
   0.52551064  0.62069617  0.89711591
   0.69420451  0.82271782  0.59311727
   0.49649619  0.84340791  0.43735342
   0.93056463  0.23688934  0.07623988
   0.90699353  0.37823725  0.40777970
   0.34153093  0.13406588  0.62924342
   0.38680651  0.77647927  0.75339971
   0.16844743  1.11806849  0.19240551
   0.25284864  1.10415345  0.06234208
   0.63621491  0.32834812  0.84790990
   0.93101906  0.48433466  0.68620579
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924132   -0.031550   -0.037929
    -0.000000    9.825664   -0.106741
    -0.000000    0.000000   13.996299
   Si   O    H 
    32    64    10
Direct configuration=  2583
   0.17943683  0.18024431 -0.00957416
   0.34020548  0.09846502  0.38175409
   0.14939217  0.43389575  0.11976904
   0.39208806  0.34143331  0.24940232
   0.05147004  0.13310166  0.49407942
   0.40917874  0.11931726  0.85265860
   0.12027311  0.37726307  0.61983582
   0.37600105  0.36556591  0.74110275
   0.14552569  0.69905612  0.00462589
   0.42621672  0.59638728  0.37480128
   0.06691156  0.91357837  0.15349705
   0.30863885  0.83277855  0.26766573
   0.17129770  0.62195178  0.48476724
   0.37603837  0.60583207  0.85661084
   0.05422428  0.87556274  0.60215464
   0.34443599  0.99023710  0.68119304
   0.63531336  0.12568707  1.00816194
   0.82917113  0.12628087  0.33682991
   0.62793068  0.40406336  0.11740149
   0.90044465  0.31371951  0.16576059
   0.60603607  0.18517686  0.49181819
   0.90328548  0.09648915  0.89121893
   0.62133901  0.45550868  0.62522445
   0.76200496  0.34528519  0.80945527
   0.60773366  0.66305729  0.00338495
   0.89994766  0.62028382  0.38121756
   0.55688888  0.89612753  0.13669765
   0.81348883  0.84336889  0.24304277
   0.65528943  0.68667460  0.48338187
   0.86327012  0.62357770  0.90120995
   0.62251086  0.92333420  0.63060893
   0.83781347  0.85978329  0.76821735
   0.08640842  0.07806031  0.16615658
   0.35953242  0.18281477  0.27671171
   0.13131716  0.33447085  0.02492218
   0.38357788  0.44304260  0.34046211
   0.54319837  0.34647010  0.20191265
   0.28777570  0.38690447  0.17207076
   0.20700598  0.13199756  0.44656922
  -0.04151156  0.18979993  0.40257602
   0.00974368 -0.02393960  0.51498487
   0.46155816  0.23199895  0.76969316
   0.04061432  0.23428800  0.58267722
   0.34364216  0.44318706  0.84374912
   0.46907902  0.44595093  0.67137824
   0.24572406  0.31574132  0.68057558
   0.28072337  0.17439331 -0.09469984
   0.03101561  0.13632131  0.95391197
   0.16531715  0.59601398  0.09213291
   0.36766994  0.68762449  0.28432603
   0.10958767  0.86036795  0.05067242
   0.33859765  0.92480030  0.36214001
   0.40058927  0.89414131  0.17614709
   0.15178879  0.83518793  0.23755990
   0.33208913  0.64552905  0.46581070
   0.06624753  0.62584361  0.39936086
   0.18938973  0.47200759  0.53622781
   0.34258940  0.68855610  0.76019450
   0.11165725  0.72906104  0.56649995
   0.37416459  0.97944149  0.80136706
   0.46065941  0.89312500  0.62876610
   0.17301108  0.93948724  0.67215700
   0.28736147  0.67115136 -0.04734769
   0.01594642  0.65494416  0.93636860
   0.62176794  0.04830042  0.11035317
   0.83440134  0.21344056  0.24098848
   0.64046587  0.29151204  0.02324945
   0.85541584  0.45838127  0.37877684
   0.03006787  0.39970302  0.19862394
   0.78547246  0.42798424  0.14013053
   0.71328615  0.19810030  0.40561209
   0.46630080  0.13788775  0.44151818
   0.63047107  0.06800666  0.57048652
   0.85753016  0.21208391  0.81065368
   0.61826506  0.33140538  0.55000051
   0.83526981  0.47240954  0.86798217
   1.02072282  0.45091206  0.70051350
   0.74545502  0.40850700  0.69747411
   0.77214951  0.06306691  0.96192212
   0.51781249  0.08888918  0.93442484
   0.57072789  0.54080880  0.06836884
   0.85501873  0.69564362  0.28871545
   0.55626786  0.81270404  0.04076962
   0.81826929  0.96399108  0.32565804
   0.90405169  0.88918819  0.15642930
   0.66141013  0.83465005  0.20526369
   0.81769888  0.69888156  0.46719762
   0.58346632  0.60888561  0.38712376
   0.62518059  0.60890370  0.58710702
   0.81827962  0.70560311  0.80096743
   0.59235350  0.84705410  0.46480409
   0.92275352  0.94946636  0.84333956
   0.92369509  0.84398314  0.66573228
   0.68781275  0.93470321  0.74634141
   0.76643573  0.68386369  0.98220730
   0.52551257  0.62147747  0.89706591
   0.69983536  0.81829199  0.58559558
   0.51119604  0.83388188  0.44018259
   0.92967229  0.23377619  0.07749136
   0.90257811  0.38773986  0.41049405
   0.34441554  0.13469770  0.63338008
   0.38684414  0.77040024  0.74968609
   0.16930643  1.11845419  0.19297931
   0.25286197  1.10584830  0.06355045
   0.63347920  0.32799684  0.85205780
   0.92770461  0.49174551  0.68689456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923680   -0.029084   -0.036641
    -0.000000    9.827213   -0.106171
    -0.000000    0.000000   13.997224
   Si   O    H 
    32    64    10
Direct configuration=  2584
   0.17920189  0.17888948 -0.01001788
   0.34033890  0.09861986  0.38147500
   0.14878797  0.43414973  0.12036896
   0.39149879  0.34134893  0.24939779
   0.05106657  0.13367184  0.49324738
   0.40905993  0.12064480  0.85264001
   0.12102824  0.37839124  0.62014599
   0.37656473  0.36660389  0.74140345
   0.14554121  0.69939525  0.00426691
   0.42523479  0.59675083  0.37508844
   0.06577035  0.91290144  0.15260768
   0.30883426  0.83370005  0.26774502
   0.17140550  0.62238878  0.48563299
   0.37594287  0.60541308  0.85610228
   0.05603316  0.87496726  0.60142928
   0.34398192  0.98997334  0.68142815
   0.63359317  0.12576497  1.00803869
   0.82997186  0.12694072  0.33677676
   0.62795882  0.40342621  0.11769219
   0.90110374  0.31330839  0.16704421
   0.60736000  0.18512114  0.49253371
   0.90228681  0.09709589  0.89119415
   0.62176977  0.45357557  0.62486508
   0.76100780  0.34612003  0.80988200
   0.60768931  0.66316458  0.00350870
   0.90060808  0.62046117  0.38079840
   0.55675014  0.89664051  0.13722127
   0.81275114  0.84381375  0.24324037
   0.65578150  0.68700260  0.48402540
   0.86231961  0.62458192  0.90117852
   0.62370609  0.92309253  0.63088120
   0.83760593  0.85986400  0.76815574
   0.08620768  0.07929028  0.16570011
   0.36194790  0.18287893  0.27759086
   0.13224359  0.33438461  0.02444647
   0.38379122  0.44514981  0.34003747
   0.54065669  0.34588252  0.20212204
   0.28608885  0.38804947  0.17148866
   0.20503324  0.13033916  0.44778231
  -0.04251162  0.18914751  0.40294151
   0.01030357 -0.02171020  0.51422861
   0.46038155  0.23196129  0.77063014
   0.03983788  0.23186589  0.58394119
   0.34353064  0.44310780  0.84290315
   0.46912901  0.44406859  0.67162616
   0.24624479  0.31330770  0.68233100
   0.28237783  0.17516987 -0.09419222
   0.02922992  0.13569497  0.95372930
   0.16430014  0.59744569  0.09378763
   0.36948404  0.68679213  0.28399808
   0.10935566  0.85931596  0.05132567
   0.33796724  0.92403754  0.36336207
   0.39927352  0.89292856  0.17582245
   0.15248582  0.83484267  0.23686869
   0.33222909  0.64501881  0.46668624
   0.06699675  0.62529642  0.39875285
   0.18998727  0.47163865  0.53742441
   0.34290061  0.68778038  0.76034194
   0.11047696  0.72847427  0.56672628
   0.37574747  0.97921341  0.80235004
   0.45863290  0.89280298  0.62867452
   0.17199490  0.94085110  0.67180163
   0.28759922  0.67304641 -0.04694671
   0.01502845  0.65462344  0.93588794
   0.62204162  0.04681874  0.11068761
   0.83623042  0.21510032  0.24051346
   0.63986943  0.29244879  0.02333621
   0.85424453  0.45731360  0.37907798
   0.02988292  0.39700433  0.19886737
   0.78555464  0.42880792  0.13897364
   0.71358392  0.20012986  0.40583801
   0.46575511  0.13830003  0.44369962
   0.63196367  0.06635839  0.57032133
   0.85687323  0.21249550  0.81053992
   0.61848443  0.33167461  0.54823331
   0.83531943  0.47075768  0.86790869
   1.02293803  0.45064965  0.70062878
   0.74577286  0.40690478  0.69688036
   0.77097352  0.06337969  0.96241692
   0.51818827  0.08649883  0.93250755
   0.57193195  0.54080412  0.06880862
   0.85466842  0.69611658  0.28888292
   0.55625776  0.81304532  0.04062049
   0.81886343  0.96424749  0.32669515
   0.90458504  0.88832560  0.15547181
   0.66222190  0.83401201  0.20474296
   0.81794070  0.69916012  0.46624589
   0.58404375  0.60687493  0.38554736
   0.62570788  0.60863480  0.58640229
   0.81789654  0.70481598  0.80233726
   0.59269194  0.84735768  0.46454113
   0.92156108  0.94843255  0.84403024
   0.92496548  0.84590176  0.66527703
   0.68753184  0.93717487  0.74641412
   0.76648733  0.68547373  0.98271071
   0.52534720  0.62237972  0.89673893
   0.70859135  0.81431429  0.58001226
   0.49635327  0.82202380  0.43689303
   0.92719041  0.23385183  0.08010963
   0.90259828  0.39134804  0.41457049
   0.34997686  0.12532270  0.64131893
   0.39424694  0.77219020  0.74798306
   0.16855722  1.11677805  0.19109960
   0.25224285  1.10657226  0.06559120
   0.62480685  0.32797542  0.85437795
   0.93254868  0.49523303  0.68841485
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923664   -0.026892   -0.034934
    -0.000000    9.828533   -0.105626
    -0.000000    0.000000   13.998437
   Si   O    H 
    32    64    10
Direct configuration=  2585
   0.17927337  0.17770655 -0.01042863
   0.33924173  0.09874383  0.38121982
   0.14821341  0.43479425  0.12085460
   0.39039988  0.34136492  0.24949911
   0.05079293  0.13444738  0.49196448
   0.40915512  0.12248132  0.85293648
   0.12236868  0.37939457  0.62030788
   0.37716368  0.36790037  0.74155946
   0.14504934  0.70036372  0.00404427
   0.42445378  0.59680192  0.37541939
   0.06461847  0.91258719  0.15148350
   0.30928407  0.83438494  0.26742016
   0.17170366  0.62225400  0.48658531
   0.37510864  0.60503109  0.85581466
   0.05679587  0.87447850  0.60081551
   0.34369841  0.98915550  0.68203376
   0.63198528  0.12562791  1.00788832
   0.83076368  0.12796533  0.33705610
   0.62807371  0.40267841  0.11777554
   0.90196894  0.31304996  0.16781435
   0.60889849  0.18525845  0.49307963
   0.90145059  0.09804423  0.89129405
   0.62232909  0.45175336  0.62510394
   0.76059608  0.34696385  0.81089995
   0.60745383  0.66359619  0.00325620
   0.90156344  0.62044021  0.38052051
   0.55625608  0.89691218  0.13768534
   0.81164792  0.84413489  0.24366308
   0.65618451  0.68771394  0.48456478
   0.86099184  0.62501633  0.90103170
   0.62530176  0.92309784  0.63083760
   0.83725873  0.85993772  0.76758513
   0.08507164  0.08062134  0.16508289
   0.36425811  0.18185292  0.27831626
   0.13357460  0.33421590  0.02402876
   0.38330034  0.44694447  0.34020444
   0.53864697  0.34497854  0.20289419
   0.28416546  0.38936334  0.17046655
   0.20314712  0.12907370  0.44893794
  -0.04349469  0.18838078  0.40332867
   0.01216741 -0.01991653  0.51424720
   0.45943509  0.23218226  0.77157752
   0.03924097  0.23070544  0.58479995
   0.34244736  0.44325427  0.84188744
   0.46884463  0.44245169  0.67186189
   0.24673442  0.31120091  0.68411033
   0.28416797  0.17633997 -0.09371714
   0.02749728  0.13524367  0.95340473
   0.16350852  0.59922144  0.09518754
   0.37126988  0.68642207  0.28383133
   0.11021445  0.85789370  0.05148174
   0.33657406  0.92356577  0.36467540
   0.39807137  0.89248939  0.17576658
   0.15289930  0.83393455  0.23659016
   0.33252022  0.64518743  0.46758586
   0.06754096  0.62503141  0.39774712
   0.19070355  0.47137743  0.53838236
   0.34279345  0.68695075  0.76072076
   0.10976679  0.72793847  0.56586013
   0.37714979  0.97904268  0.80279309
   0.45775651  0.89188429  0.62877538
   0.17120949  0.94195842  0.67142072
   0.28763655  0.67543647 -0.04739111
   0.01426466  0.65459029  0.93580284
   0.62197075  0.04499387  0.11030748
   0.83764041  0.21586550  0.24070901
   0.63935827  0.29405931  0.02337020
   0.85297439  0.45655252  0.37945349
   0.02960358  0.39542707  0.19893079
   0.78531033  0.42981637  0.13854784
   0.71343513  0.20179406  0.40635134
   0.46565426  0.13826122  0.44640197
   0.63443056  0.06407013  0.57001216
   0.85652842  0.21272208  0.81017693
   0.61851446  0.33256741  0.54608584
   0.83536385  0.46925864  0.86763464
   1.02419829  0.45038326  0.70043835
   0.74582930  0.40609013  0.69665573
   0.77027873  0.06415530  0.96268402
   0.51920004  0.08441581  0.93126780
   0.57280754  0.54002514  0.06983192
   0.85464039  0.69706453  0.28896959
   0.55665750  0.81356816  0.04027074
   0.81962392  0.96440028  0.32784389
   0.90422002  0.88666421  0.15441093
   0.66366588  0.83387276  0.20419148
   0.81879678  0.69937302  0.46568837
   0.58465988  0.60595772  0.38503722
   0.62654202  0.60844120  0.58597222
   0.81777195  0.70500554  0.80343701
   0.59212765  0.84653805  0.46398610
   0.92155569  0.94689353  0.84476520
   0.92580003  0.84757799  0.66512060
   0.68713034  0.93912545  0.74562438
   0.76632517  0.68638843  0.98385793
   0.52568039  0.62360296  0.89697756
   0.71881785  0.81350561  0.58075932
   0.48866114  0.82021037  0.43513086
   0.92296670  0.23731165  0.08192405
   0.90871180  0.38764332  0.41796571
   0.35365746  0.11361848  0.64839911
   0.40113588  0.77037363  0.74760979
   0.17130174  1.11542358  0.18984785
   0.25155674  1.10583067  0.06365902
   0.61806170  0.32729495  0.85561522
   0.93939308  0.49245135  0.68991175
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923017   -0.024114   -0.033202
    -0.000000    9.829950   -0.105248
    -0.000000    0.000000   13.999320
   Si   O    H 
    32    64    10
Direct configuration=  2586
   0.17943118  0.17684830 -0.01094405
   0.33810880  0.09838006  0.38132949
   0.14740604  0.43547967  0.12104203
   0.39002089  0.34181894  0.24952698
   0.05083461  0.13535380  0.49037965
   0.40917275  0.12361076  0.85295513
   0.12318197  0.38037505  0.62058735
   0.37753490  0.36869404  0.74180437
   0.14443835  0.70143866  0.00382458
   0.42320751  0.59697147  0.37535123
   0.06362900  0.91251973  0.15052360
   0.31001333  0.83537219  0.26669978
   0.17193528  0.62236647  0.48778254
   0.37464596  0.60514090  0.85604134
   0.05734654  0.87429175  0.59989146
   0.34319334  0.98791339  0.68308470
   0.63056616  0.12466596  1.00787578
   0.83114200  0.12880926  0.33741555
   0.62852198  0.40179671  0.11795965
   0.90228651  0.31287395  0.16814190
   0.61039720  0.18495368  0.49356484
   0.90070009  0.09905537  0.89142272
   0.62272330  0.45056969  0.62509073
   0.76014445  0.34701086  0.81182897
   0.60721605  0.66391332  0.00233738
   0.90201186  0.62002818  0.37981813
   0.55596168  0.89700676  0.13769300
   0.81075840  0.84495803  0.24431846
   0.65700825  0.68899603  0.48509348
   0.85970137  0.62536974  0.90113750
   0.62679345  0.92409995  0.63078097
   0.83672150  0.86029652  0.76617194
   0.08341987  0.08129139  0.16433418
   0.36623284  0.18116199  0.27881676
   0.13526534  0.33480133  0.02402484
   0.38373749  0.44712874  0.34064603
   0.53727187  0.34463777  0.20353225
   0.28315480  0.39104985  0.16966443
   0.20130514  0.12767906  0.44974719
  -0.04437852  0.18727872  0.40353569
   0.01400739 -0.01827301  0.51440338
   0.45797802  0.23242514  0.77323522
   0.03963778  0.22926311  0.58617736
   0.34123689  0.44387910  0.84103262
   0.46997711  0.44170830  0.67171656
   0.24689469  0.30979649  0.68535562
   0.28637646  0.17779155 -0.09365121
   0.02660957  0.13378473  0.95286309
   0.16206469  0.60040619  0.09677360
   0.37276155  0.68613619  0.28354893
   0.11166121  0.85687707  0.05083006
   0.33545819  0.92358841  0.36542824
   0.39708617  0.89261438  0.17593610
   0.15352766  0.83375764  0.23657987
   0.33412726  0.64480859  0.46834776
   0.06802777  0.62438942  0.39701069
   0.19092897  0.47105235  0.53947107
   0.34251714  0.68672654  0.76121127
   0.10973621  0.72701865  0.56509550
   0.37843345  0.97884412  0.80279384
   0.45711480  0.89119180  0.62927418
   0.17156924  0.94321304  0.67134060
   0.28723683  0.67733771 -0.04782057
   0.01344225  0.65501732  0.93635195
   0.62138699  0.04310785  0.10989716
   0.83952709  0.21617310  0.24126740
   0.63864725  0.29463902  0.02358352
   0.85176230  0.45619002  0.38024292
   0.03088828  0.39446956  0.19940300
   0.78498272  0.43108293  0.13831854
   0.71455465  0.20309974  0.40701692
   0.46497180  0.13846936  0.44814058
   0.63649263  0.06248807  0.56966162
   0.85717591  0.21227861  0.80995539
   0.61900382  0.33390927  0.54372241
   0.83517235  0.46777966  0.86752816
   1.02619315  0.44986089  0.70058058
   0.74653057  0.40583914  0.69677523
   0.76908521  0.06480381  0.96316539
   0.51949103  0.08193750  0.93010439
   0.57363630  0.53928693  0.07120589
   0.85537516  0.69858296  0.28901159
   0.55704135  0.81355815  0.03945412
   0.82022665  0.96367226  0.32901247
   0.90433103  0.88490505  0.15367155
   0.66512917  0.83239318  0.20397391
   0.81977995  0.69976724  0.46591925
   0.58479825  0.60552646  0.38503978
   0.62693910  0.60844019  0.58582904
   0.81722263  0.70525193  0.80423863
   0.59065334  0.84529144  0.46321337
   0.92136384  0.94652860  0.84546422
   0.92584412  0.84866930  0.66470540
   0.68786747  0.94019233  0.74461023
   0.76663043  0.68722626  0.98468045
   0.52684798  0.62491451  0.89747105
   0.72312581  0.81795960  0.58785478
   0.49721112  0.82821091  0.43844483
   0.91586273  0.24122865  0.08240552
   0.90886752  0.39339195  0.41739498
   0.35269888  0.11345527  0.64951400
   0.40177988  0.76086604  0.74546094
   0.17159700  1.11335304  0.18984875
   0.25154428  1.10741227  0.06215224
   0.61895394  0.32748617  0.85530361
   0.94241039  0.49267900  0.68868156
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922504   -0.021319   -0.031373
    -0.000000    9.830798   -0.104409
    -0.000000    0.000000   14.000361
   Si   O    H 
    32    64    10
Direct configuration=  2587
   0.17883200  0.17663098 -0.01118562
   0.33685233  0.09782536  0.38178518
   0.14714244  0.43564096  0.12123168
   0.38960469  0.34272428  0.24975184
   0.05109883  0.13623137  0.48978074
   0.40941515  0.12514031  0.85268768
   0.12401662  0.38115873  0.62127217
   0.37791630  0.36880183  0.74155854
   0.14360527  0.70241070  0.00383547
   0.42192024  0.59753293  0.37533742
   0.06231194  0.91294143  0.15012097
   0.31054741  0.83632503  0.26593194
   0.17147381  0.62249426  0.48890264
   0.37454432  0.60567151  0.85652228
   0.05832427  0.87434256  0.59927232
   0.34310628  0.98587612  0.68382989
   0.62913438  0.12340133  1.00775500
   0.83112704  0.12987219  0.33786020
   0.62895621  0.40070582  0.11832131
   0.90143338  0.31305476  0.16815190
   0.61170288  0.18412870  0.49459226
   0.89956774  0.09993298  0.89127901
   0.62377580  0.44966422  0.62496505
   0.75951650  0.34760157  0.81309127
   0.60639498  0.66426968  0.00165749
   0.90210307  0.61938733  0.37916869
   0.55548494  0.89753167  0.13759837
   0.81111309  0.84554417  0.24537960
   0.65742440  0.68952608  0.48552585
   0.85855256  0.62582449  0.90128138
   0.62906115  0.92441739  0.63003436
   0.83636553  0.86070230  0.76516066
   0.08215206  0.08264780  0.16330120
   0.36742888  0.18056530  0.27963358
   0.13658826  0.33579187  0.02421426
   0.38416107  0.44644732  0.34117437
   0.53642442  0.34453760  0.20418178
   0.28252461  0.39193096  0.16892031
   0.20047470  0.12613450  0.44989189
  -0.04432172  0.18562641  0.40383984
   0.01581491 -0.01789268  0.51458377
   0.45635128  0.23251098  0.77453615
   0.03969519  0.22753633  0.58734738
   0.33883367  0.44447214  0.83948510
   0.47137291  0.44180422  0.67140644
   0.24730969  0.30982523  0.68606158
   0.28834723  0.17786915 -0.09320021
   0.02582244  0.13257960  0.95251683
   0.16083319  0.60117531  0.09930628
   0.37407199  0.68527915  0.28346669
   0.11384570  0.85547091  0.04992540
   0.33466384  0.92532991  0.36575508
   0.39609067  0.89289780  0.17606672
   0.15372673  0.83367563  0.23606703
   0.33558849  0.64545456  0.46911821
   0.06824126  0.62239389  0.39661062
   0.19111015  0.47095211  0.54035212
   0.34133582  0.68695610  0.76169019
   0.10988125  0.72614105  0.56417859
   0.37922899  0.97845375  0.80234096
   0.45709237  0.89000458  0.63031137
   0.17173370  0.94436878  0.67122476
   0.28736647  0.67934849 -0.04814341
   0.01362709  0.65592215  0.93724598
   0.62169971  0.04074435  0.10997232
   0.84051320  0.21598460  0.24166484
   0.63770578  0.29480003  0.02365296
   0.85112267  0.45672373  0.38095410
   0.03249660  0.39408606  0.19970085
   0.78530228  0.43249367  0.13831215
   0.71546424  0.20293209  0.40721255
   0.46427238  0.13966554  0.45074485
   0.63840488  0.06101320  0.57013725
   0.85861447  0.21209346  0.81009285
   0.61975890  0.33523687  0.54143760
   0.83528486  0.46609351  0.86758182
   1.02789366  0.45007030  0.70052743
   0.74710617  0.40513690  0.69692437
   0.76858761  0.06514824  0.96313475
   0.51967844  0.08017949  0.92868474
   0.57454471  0.53838310  0.07208366
   0.85611100  0.69967549  0.28815135
   0.55736713  0.81338289  0.03860418
   0.82106738  0.96305674  0.32988289
   0.90450080  0.88323185  0.15311116
   0.66589185  0.83043532  0.20430957
   0.82019390  0.69974976  0.46624956
   0.58505404  0.60545588  0.38559980
   0.62690656  0.60785139  0.58580041
   0.81711610  0.70528503  0.80489523
   0.58908469  0.84343017  0.46208534
   0.92179882  0.94706545  0.84541643
   0.92668661  0.85009807  0.66438461
   0.68907631  0.94021781  0.74398908
   0.76649478  0.68756846  0.98590914
   0.52688755  0.62678948  0.89736499
   0.72601416  0.82680387  0.59485540
   0.50862248  0.83829103  0.44347215
   0.90779765  0.24310092  0.08010793
   0.90778453  0.39657648  0.41616696
   0.35136506  0.12570074  0.64711279
   0.40206577  0.75447965  0.74327142
   0.17035056  1.11142612  0.18916776
   0.24989296  1.10756202  0.06102213
   0.62736524  0.32869861  0.85387291
   0.94129526  0.49201900  0.68682748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922145   -0.018385   -0.029274
    -0.000000    9.831679   -0.104146
    -0.000000    0.000000   14.000857
   Si   O    H 
    32    64    10
Direct configuration=  2588
   0.17802519  0.17675410 -0.01143171
   0.33585838  0.09691483  0.38199600
   0.14712502  0.43580726  0.12157915
   0.38895808  0.34395800  0.24984833
   0.05083480  0.13643515  0.48950770
   0.41053488  0.12603365  0.85260443
   0.12395705  0.38157818  0.62160552
   0.37765984  0.36825678  0.74161758
   0.14352409  0.70375620  0.00423242
   0.42065780  0.59858685  0.37523596
   0.06177145  0.91349914  0.15013906
   0.31137168  0.83705137  0.26559348
   0.17089415  0.62186719  0.48987640
   0.37455121  0.60710128  0.85726693
   0.05891730  0.87434027  0.59885400
   0.34267457  0.98478923  0.68456215
   0.62747797  0.12253150  1.00750485
   0.83101484  0.13108457  0.33849833
   0.62933017  0.39876042  0.11860523
   0.90068782  0.31344556  0.16790456
   0.61267761  0.18373746  0.49572238
   0.89867093  0.10029571  0.89136990
   0.62425326  0.44857910  0.62451605
   0.75916720  0.34764896  0.81392693
   0.60560332  0.66458487  0.00105258
   0.90244792  0.61880575  0.37872694
   0.55455523  0.89803981  0.13743731
   0.81149205  0.84607282  0.24665414
   0.65783582  0.69050392  0.48622368
   0.85749768  0.62623858  0.90123071
   0.63107500  0.92428216  0.62908941
   0.83593272  0.86121334  0.76403265
   0.08058512  0.08332366  0.16240066
   0.36875990  0.17969290  0.28067583
   0.13759805  0.33681186  0.02444407
   0.38461406  0.44526470  0.34124129
   0.53584043  0.34504981  0.20515857
   0.28194754  0.39206735  0.16832285
   0.20100532  0.12566087  0.45011181
  -0.04365062  0.18305303  0.40408134
   0.01793046 -0.01801362  0.51478603
   0.45424626  0.23187788  0.77510952
   0.04026859  0.22764276  0.58749345
   0.33718783  0.44467341  0.83822154
   0.47312587  0.44268382  0.67062031
   0.24756296  0.30994096  0.68660766
   0.28800530  0.17778541 -0.09310497
   0.02460185  0.13165258  0.95193206
   0.15968356  0.60112319  0.10140034
   0.37427000  0.68464331  0.28369183
   0.11653938  0.85389674  0.04845325
   0.33428631  0.92725432  0.36536179
   0.39551538  0.89410317  0.17564936
   0.15310728  0.83416386  0.23598349
   0.33658677  0.64651491  0.46962927
   0.06790969  0.62116839  0.39651401
   0.19054501  0.47143589  0.54051634
   0.33948670  0.68766940  0.76180901
   0.10998784  0.72566030  0.56359607
   0.37970033  0.97788882  0.80161690
   0.45699487  0.88906242  0.63117971
   0.17261476  0.94566599  0.67059162
   0.28738352  0.67996042 -0.04837305
   0.01363596  0.65637146  0.93799488
   0.62213635  0.03968167  0.11012387
   0.84151301  0.21614534  0.24201738
   0.63617387  0.29421352  0.02358530
   0.85002209  0.45673635  0.38171724
   0.03450446  0.39475648  0.19994400
   0.78635012  0.43326520  0.13875426
   0.71534212  0.20223480  0.40690568
   0.46448281  0.14004969  0.45365635
   0.63996254  0.06000864  0.57082705
   0.86025427  0.21153162  0.80997795
   0.62066975  0.33688002  0.53910798
   0.83562049  0.46499673  0.86835741
   1.02956456  0.45093521  0.70005852
   0.74706628  0.40468071  0.69730019
   0.76883211  0.06622488  0.96279401
   0.51986114  0.07769033  0.92802979
   0.57513950  0.53827239  0.07231852
   0.85638262  0.70098202  0.28723451
   0.55778328  0.81273941  0.03777059
   0.82196090  0.96284647  0.33053264
   0.90442853  0.88206384  0.15283051
   0.66669222  0.82886362  0.20498825
   0.82069949  0.69966953  0.46693064
   0.58602641  0.60658985  0.38633112
   0.62698590  0.60779295  0.58560119
   0.81728664  0.70564690  0.80502692
   0.59000782  0.84171331  0.46179850
   0.92274791  0.94774820  0.84555053
   0.92680347  0.85197456  0.66444213
   0.69045739  0.93996181  0.74350833
   0.76640110  0.68806638  0.98739242
   0.52746203  0.62815128  0.89777392
   0.72798726  0.83707753  0.60166445
   0.48279685  0.84549064  0.43684646
   0.90212929  0.24359537  0.07671219
   0.90868646  0.39390604  0.41633672
   0.35197363  0.13703406  0.64465001
   0.40772403  0.75703793  0.73995724
   0.16916521  1.11004026  0.18735211
   0.25076807  1.10791546  0.06323565
   0.63612119  0.33071586  0.85246819
   0.94045825  0.48782076  0.68645748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922369   -0.016008   -0.027160
    -0.000000    9.832012   -0.103865
    -0.000000    0.000000   14.001562
   Si   O    H 
    32    64    10
Direct configuration=  2589
   0.17728564  0.17668947 -0.01153966
   0.33547873  0.09572658  0.38304258
   0.14792993  0.43638848  0.12158311
   0.38781216  0.34503420  0.25030161
   0.05074304  0.13698394  0.48961659
   0.41178272  0.12667390  0.85233501
   0.12415819  0.38101505  0.62166980
   0.37683823  0.36757862  0.74155740
   0.14367950  0.70513020  0.00455677
   0.42009323  0.59937409  0.37501754
   0.06197098  0.91457897  0.15028262
   0.31173089  0.83773334  0.26515813
   0.16973410  0.62109572  0.49052086
   0.37428658  0.60836429  0.85808174
   0.05954205  0.87490737  0.59843189
   0.34163222  0.98450090  0.68533468
   0.62628411  0.12198572  1.00744149
   0.83135800  0.13180843  0.33952483
   0.63008493  0.39719993  0.11865566
   0.89982145  0.31405819  0.16728669
   0.61348383  0.18370742  0.49668063
   0.89779640  0.10025879  0.89129426
   0.62463733  0.44774181  0.62426181
   0.75911523  0.34787231  0.81404269
   0.60520992  0.66502935  0.00022866
   0.90276877  0.61815707  0.37820879
   0.55392456  0.89844292  0.13764536
   0.81177538  0.84657568  0.24735856
   0.65713420  0.69133527  0.48645980
   0.85763421  0.62702300  0.90115064
   0.63296423  0.92454352  0.62841880
   0.83570700  0.86204170  0.76322501
   0.07970802  0.08335957  0.16151422
   0.36943349  0.17826967  0.28187920
   0.13912046  0.33795944  0.02508619
   0.38490570  0.44396057  0.34112737
   0.53637182  0.34561684  0.20587127
   0.28157350  0.39199679  0.16813734
   0.20211726  0.12487548  0.44990508
  -0.04294503  0.18079121  0.40443321
   0.01937262 -0.01820583  0.51518356
   0.45243641  0.23129087  0.77575322
   0.04148261  0.22817441  0.58720611
   0.33504543  0.44592387  0.83728403
   0.47503034  0.44380350  0.66930155
   0.24763781  0.31031526  0.68703422
   0.28728483  0.17783781 -0.09304336
   0.02437785  0.13164218  0.95165963
   0.15834737  0.60056631  0.10324028
   0.37409176  0.68465238  0.28371485
   0.11850354  0.85244184  0.04728634
   0.33402160  0.93006693  0.36530856
   0.39567772  0.89554459  0.17471313
   0.15241707  0.83503030  0.23647567
   0.33674731  0.64751161  0.46962756
   0.06783924  0.62080795  0.39658871
   0.18978609  0.47119543  0.54067315
   0.33872295  0.68898568  0.76144932
   0.10913224  0.72482734  0.56312987
   0.37984129  0.97785137  0.80046124
   0.45640296  0.88769263  0.63169128
   0.17254088  0.94681864  0.66945581
   0.28686707  0.68127643 -0.04862616
   0.01420975  0.65645412  0.93879734
   0.62157465  0.03890062  0.11035886
   0.84166262  0.21647104  0.24241194
   0.63402822  0.29276377  0.02354369
   0.84893927  0.45683621  0.38218250
   0.03538804  0.39448216  0.20024461
   0.78781138  0.43332276  0.13975796
   0.71434057  0.20149245  0.40674318
   0.46467961  0.14034335  0.45578954
   0.64212385  0.05952193  0.57178168
   0.86125749  0.21019836  0.80972619
   0.62153774  0.33880729  0.53726321
   0.83607927  0.46441377  0.86961431
   1.03130898  0.45198562  0.70007828
   0.74719846  0.40465496  0.69757684
   0.76890959  0.06744442  0.96213275
   0.51984062  0.07619708  0.92781318
   0.57524242  0.53874963  0.07272142
   0.85715211  0.70186500  0.28611593
   0.55833216  0.81190288  0.03712452
   0.82386081  0.96274134  0.33088511
   0.90452002  0.88104018  0.15247328
   0.66728322  0.82760723  0.20614447
   0.82114705  0.69943471  0.46778438
   0.58597489  0.60811362  0.38730752
   0.62688101  0.60754817  0.58506408
   0.81737423  0.70595174  0.80493590
   0.59119470  0.84104001  0.46131180
   0.92299138  0.94856059  0.84552612
   0.92677508  0.85388568  0.66472702
   0.69190154  0.93999468  0.74269280
   0.76558927  0.68848369  0.98876749
   0.52896962  0.62977571  0.89806132
   0.73483222  0.83803879  0.60646686
   0.47155519  0.85365654  0.43471409
   0.89921894  0.24233734  0.07317747
   0.90522216  0.39322099  0.41674605
   0.35129024  0.13415472  0.64233606
   0.40848398  0.75351337  0.73948241
   0.16948688  1.10772064  0.18424204
   0.25305159  1.10491477  0.06657229
   0.63196722  0.32924371  0.85364843
   0.94134065  0.47951713  0.68612810
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922282   -0.013782   -0.025838
    -0.000000    9.832044   -0.104086
    -0.000000    0.000000   14.002333
   Si   O    H 
    32    64    10
Direct configuration=  2590
   0.17657830  0.17653850 -0.01090846
   0.33498062  0.09479753  0.38417340
   0.14923041  0.43660726  0.12137106
   0.38672897  0.34608616  0.25060803
   0.05099714  0.13741339  0.49022191
   0.41311093  0.12684990  0.85252569
   0.12378766  0.37989943  0.62189393
   0.37611380  0.36706109  0.74140708
   0.14386648  0.70538609  0.00501457
   0.42022800  0.59997147  0.37479513
   0.06220901  0.91529934  0.15035713
   0.31198537  0.83765451  0.26495359
   0.16858434  0.61991455  0.49106151
   0.37394685  0.60956859  0.85918114
   0.06034045  0.87541123  0.59834123
   0.34115447  0.98474672  0.68598853
   0.62581018  0.12072313  1.00774682
   0.83200499  0.13291841  0.34100414
   0.63097654  0.39555112  0.11867020
   0.89938247  0.31441708  0.16629045
   0.61393066  0.18385465  0.49720146
   0.89683541  0.10103068  0.89113105
   0.62535904  0.44668374  0.62376345
   0.75925314  0.34831721  0.81353993
   0.60488926  0.66505358 -0.00020729
   0.90230753  0.61739430  0.37840000
   0.55293950  0.89864113  0.13717927
   0.81215982  0.84669588  0.24771285
   0.65582169  0.69307012  0.48663879
   0.85753435  0.62776743  0.90171664
   0.63361538  0.92541505  0.62774829
   0.83566515  0.86252160  0.76254056
   0.07889293  0.08297176  0.16077892
   0.36988449  0.17724591  0.28349973
   0.14126271  0.33938389  0.02589419
   0.38434221  0.44299756  0.34068161
   0.53761919  0.34541060  0.20600701
   0.28283832  0.39178175  0.16861451
   0.20442277  0.12452943  0.44957952
  -0.04159884  0.17899258  0.40430008
   0.02058838 -0.01868129  0.51557802
   0.45079504  0.23047836  0.77618790
   0.04224156  0.22855391  0.58702391
   0.33335262  0.44719926  0.83632894
   0.47679462  0.44534569  0.66828122
   0.24714421  0.31123794  0.68704620
   0.28558151  0.17805916 -0.09274598
   0.02565258  0.13197370  0.95124360
   0.15635959  0.60002498  0.10526899
   0.37337411  0.68543177  0.28351243
   0.11982542  0.85126048  0.04610574
   0.33400956  0.93185329  0.36505172
   0.39649259  0.89701967  0.17365822
   0.15148312  0.83592296  0.23701772
   0.33656159  0.64774444  0.46954622
   0.06802366  0.62082645  0.39679114
   0.18830583  0.47099610  0.54047060
   0.33911693  0.69008612  0.76099316
   0.10815319  0.72486519  0.56368689
   0.37979726  0.97676312  0.79939110
   0.45618686  0.88733595  0.63210734
   0.17292552  0.94724883  0.66823667
   0.28532003  0.68130800 -0.04933018
   0.01524023  0.65748455  0.93949342
   0.62074331  0.03871878  0.11078919
   0.84121819  0.21634413  0.24333369
   0.63152596  0.29109163  0.02335360
   0.84843162  0.45793380  0.38252943
   0.03563406  0.39436491  0.20058467
   0.78913933  0.43325050  0.14045342
   0.71219205  0.20080849  0.40725227
   0.46499731  0.14050744  0.45710828
   0.64428448  0.05969119  0.57209585
   0.86170374  0.20958552  0.80978593
   0.62288231  0.34005945  0.53615843
   0.83690994  0.46458581  0.87135863
   1.03278880  0.45216721  0.70030806
   0.74690960  0.40464893  0.69765800
   0.76925041  0.06895804  0.96116160
   0.51952759  0.07543542  0.92769751
   0.57531217  0.53912643  0.07330937
   0.85802850  0.70245797  0.28494948
   0.55856060  0.81011187  0.03613730
   0.82541020  0.96251851  0.33114642
   0.90394202  0.88065794  0.15230430
   0.66680533  0.82632414  0.20713703
   0.82088839  0.69904546  0.46908520
   0.58619861  0.60966077  0.38881786
   0.62744566  0.60776191  0.58458436
   0.81732252  0.70576428  0.80452710
   0.59184197  0.84124173  0.46114088
   0.92353737  0.94806489  0.84535587
   0.92640529  0.85571058  0.66506174
   0.69390097  0.93992285  0.74136477
   0.76470113  0.68880327  0.98998068
   0.52994238  0.63150818  0.89798567
   0.74878918  0.82639792  0.60508373
   0.47423503  0.86342430  0.43548329
   0.89683044  0.24225126  0.07056170
   0.90114169  0.39092386  0.41853773
   0.35072418  0.11802831  0.64184557
   0.40855879  0.75186400  0.74107138
   0.17067409  1.10765212  0.18226398
   0.25213820  1.10478874  0.06612213
   0.62177767  0.32426732  0.85837133
   0.93826148  0.47156025  0.68510697
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921840   -0.011611   -0.024600
    -0.000000    9.831786   -0.103604
    -0.000000    0.000000   14.003361
   Si   O    H 
    32    64    10
Direct configuration=  2591
   0.17568299  0.17583690 -0.01024686
   0.33479163  0.09378008  0.38510594
   0.15106200  0.43734341  0.12089322
   0.38565102  0.34673796  0.25107589
   0.05113164  0.13769183  0.49098578
   0.41426455  0.12653247  0.85237327
   0.12416103  0.37787914  0.62198483
   0.37506234  0.36589926  0.74138178
   0.14378512  0.70488065  0.00569985
   0.42117062  0.60005757  0.37410021
   0.06231582  0.91541898  0.15061839
   0.31236413  0.83811251  0.26472151
   0.16774273  0.61887072  0.49147018
   0.37373152  0.61065058  0.86045336
   0.06072298  0.87623826  0.59866192
   0.34027651  0.98475213  0.68635520
   0.62589548  0.11964137  1.00839770
   0.83272952  0.13354678  0.34213622
   0.63184022  0.39464397  0.11865000
   0.89949934  0.31485069  0.16527106
   0.61502225  0.18408018  0.49791107
   0.89565274  0.10126550  0.89062112
   0.62624752  0.44640458  0.62339026
   0.75975035  0.34881135  0.81275161
   0.60430213  0.66449136 -0.00050089
   0.90222985  0.61626965  0.37878907
   0.55263208  0.89834487  0.13716992
   0.81197053  0.84650193  0.24790734
   0.65444838  0.69481686  0.48620490
   0.85781509  0.62835668  0.90182781
   0.63351017  0.92575441  0.62736998
   0.83539070  0.86285708  0.76188420
   0.07851442  0.08267810  0.16033739
   0.36994053  0.17669621  0.28498826
   0.14348151  0.33983120  0.02666504
   0.38356233  0.44311165  0.34031137
   0.53964319  0.34536179  0.20573267
   0.28500806  0.39092584  0.16991927
   0.20622656  0.12440420  0.44904555
  -0.04055815  0.17835088  0.40467561
   0.02158177 -0.02036244  0.51611119
   0.45015105  0.23062184  0.77607438
   0.04304263  0.22968093  0.58697980
   0.33164184  0.44805295  0.83628452
   0.47853150  0.44720234  0.66762939
   0.24610386  0.31290107  0.68711639
   0.28413551  0.17826729 -0.09239187
   0.02665021  0.13220216  0.95068830
   0.15451388  0.59982816  0.10695119
   0.37179692  0.68618549  0.28325183
   0.12085960  0.85084514  0.04495842
   0.33464704  0.93375528  0.36516404
   0.39712222  0.89920777  0.17277349
   0.15146679  0.83573983  0.23728433
   0.33568152  0.64795515  0.46983153
   0.06814683  0.62053249  0.39675678
   0.18648395  0.47145541  0.54022458
   0.33934739  0.69109164  0.76060865
   0.10683409  0.72543276  0.56426727
   0.37960992  0.97497485  0.79804457
   0.45625731  0.88648294  0.63250201
   0.17432473  0.94619301  0.66716098
   0.28454125  0.68084513 -0.05077055
   0.01547390  0.65820816  0.94029369
   0.61971028  0.03836803  0.11094144
   0.84017834  0.21634488  0.24434524
   0.62885397  0.28927829  0.02331006
   0.84790737  0.45868526  0.38315802
   0.03575352  0.39461524  0.20112640
   0.79067067  0.43220217  0.14137830
   0.70953194  0.19967112  0.40827670
   0.46444814  0.14163524  0.45849642
   0.64617544  0.06053973  0.57223863
   0.86177911  0.20918114  0.80967639
   0.62370188  0.34108949  0.53535136
   0.83938777  0.46540898  0.87310716
   1.03407541  0.45300504  0.70064280
   0.74602908  0.40441472  0.69832291
   0.76958143  0.07112836  0.96035333
   0.51977307  0.07505082  0.92771043
   0.57584354  0.53959072  0.07424807
   0.85962808  0.70302976  0.28405670
   0.55868430  0.80862601  0.03588347
   0.82733497  0.96362425  0.33149019
   0.90356046  0.88075872  0.15197001
   0.66571834  0.82546330  0.20761515
   0.82144189  0.69920596  0.46992882
   0.58679573  0.61105247  0.39000866
   0.62714369  0.60789508  0.58394703
   0.81699098  0.70638466  0.80397421
   0.59176039  0.84138306  0.46044442
   0.92394670  0.94788329  0.84508728
   0.92647546  0.85645843  0.66593422
   0.69609215  0.93935251  0.73990299
   0.76466200  0.68898313  0.99096192
   0.53025276  0.63277037  0.89774673
   0.75553966  0.82102825  0.60185666
   0.48647186  0.86924039  0.44137216
   0.89762628  0.24348335  0.07482257
   0.89656996  0.38877553  0.41770981
   0.35293495  0.10367418  0.64373996
   0.40746641  0.75445228  0.74016708
   0.16513292  1.11154026  0.18066945
   0.24801987  1.10726344  0.06366235
   0.61831644  0.32313327  0.86107597
   0.93501756  0.46361419  0.68296943
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921312   -0.009226   -0.023423
    -0.000000    9.831394   -0.102350
    -0.000000    0.000000   14.004384
   Si   O    H 
    32    64    10
Direct configuration=  2592
   0.17453268  0.17566469 -0.00933949
   0.33547779  0.09351278  0.38612711
   0.15285934  0.43810974  0.12048492
   0.38511848  0.34691220  0.25145997
   0.05170889  0.13766736  0.49175443
   0.41486497  0.12598823  0.85239760
   0.12425600  0.37549021  0.62218161
   0.37413549  0.36503991  0.74098592
   0.14389793  0.70377588  0.00645302
   0.42258631  0.60001258  0.37329147
   0.06226977  0.91461473  0.15063637
   0.31282851  0.83811479  0.26456753
   0.16728534  0.61803062  0.49181883
   0.37331118  0.61130271  0.86167015
   0.06149278  0.87661620  0.59949298
   0.33920135  0.98485641  0.68692730
   0.62704593  0.11912093  1.00894809
   0.83332677  0.13394724  0.34332407
   0.63218882  0.39367523  0.11876726
   0.90056164  0.31503386  0.16435239
   0.61583763  0.18365760  0.49853451
   0.89443638  0.10162365  0.88992085
   0.62705374  0.44594319  0.62322227
   0.76038270  0.34918584  0.81219888
   0.60381664  0.66365455 -0.00037906
   0.90227095  0.61532135  0.37944382
   0.55239423  0.89754832  0.13715569
   0.81196085  0.84630638  0.24800212
   0.65310271  0.69600914  0.48581303
   0.85836914  0.62977062  0.90208650
   0.63260894  0.92537966  0.62694741
   0.83546280  0.86280227  0.76167356
   0.07770598  0.08234540  0.16025622
   0.36983088  0.17618487  0.28635590
   0.14583115  0.34009309  0.02746615
   0.38236950  0.44315237  0.33993507
   0.54135821  0.34529069  0.20559160
   0.28850562  0.38966796  0.17147316
   0.20786303  0.12538668  0.44912301
  -0.04015230  0.17854125  0.40531250
   0.02173167 -0.02140446  0.51628522
   0.44957428  0.23248967  0.77561548
   0.04445106  0.23189982  0.58716287
   0.33053944  0.44940548  0.83696096
   0.47960352  0.44846117  0.66777400
   0.24459415  0.31426881  0.68699680
   0.28289434  0.17819193 -0.09232385
   0.02811300  0.13322323  0.95038325
   0.15279027  0.59982122  0.10842468
   0.36965351  0.68731374  0.28288174
   0.12143946  0.85161294  0.04409441
   0.33647679  0.93456195  0.36536419
   0.39767671  0.90113868  0.17286813
   0.15141236  0.83586877  0.23779075
   0.33506035  0.64746438  0.47033234
   0.06786108  0.62084933  0.39697388
   0.18452853  0.47239963  0.53935884
   0.33930109  0.69216037  0.76105557
   0.10523603  0.72557337  0.56451386
   0.37913048  0.97415220  0.79695124
   0.45675471  0.88585754  0.63267140
   0.17587702  0.94550475  0.66617094
   0.28448514  0.68031850 -0.05206416
   0.01570041  0.65842122  0.94047591
   0.61850489  0.03896192  0.11109495
   0.83938241  0.21669569  0.24579736
   0.62663628  0.28734028  0.02333987
   0.84722011  0.45968080  0.38397866
   0.03526513  0.39534493  0.20192248
   0.79138247  0.43207579  0.14211049
   0.70772260  0.19818950  0.40861725
   0.46395534  0.14308595  0.45984302
   0.64809769  0.06283087  0.57256876
   0.86080455  0.20863770  0.80912586
   0.62424327  0.34137468  0.53453889
   0.84217897  0.46586689  0.87529360
   1.03416523  0.45437463  0.70111521
   0.74532526  0.40337175  0.69894209
   0.76959276  0.07291056  0.95993382
   0.51972325  0.07476224  0.92814200
   0.57605802  0.54015722  0.07461680
   0.86083658  0.70241605  0.28372738
   0.55862154  0.80671501  0.03634091
   0.82864982  0.96563743  0.33210499
   0.90400624  0.88077994  0.15182492
   0.66267259  0.82524305  0.20804906
   0.82202153  0.69922456  0.47049454
   0.58778747  0.61212682  0.39098020
   0.62732925  0.60729795  0.58373704
   0.81519165  0.70775799  0.80379958
   0.59125582  0.84073157  0.46014941
   0.92441686  0.94801867  0.84448819
   0.92684953  0.85692063  0.66641770
   0.69788539  0.93938534  0.73898132
   0.76493120  0.68821234  0.99138665
   0.53007016  0.63388930  0.89701651
   0.75005982  0.82039128  0.60067737
   0.50658203  0.87067181  0.45039416
   0.90112866  0.24100043  0.07783030
   0.89058708  0.38534046  0.41468663
   0.35338009  0.10278719  0.64168513
   0.40719713  0.75921927  0.73933540
   0.16412420  1.11805377  0.18078568
   0.24380695  1.10884640  0.06235700
   0.62114226  0.32139257  0.86193302
   0.93841281  0.45449229  0.68267514
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921133   -0.007067   -0.021774
    -0.000000    9.830946   -0.101083
    -0.000000    0.000000   14.005270
   Si   O    H 
    32    64    10
Direct configuration=  2593
   0.17362053  0.17692966 -0.00828570
   0.33639374  0.09358875  0.38693070
   0.15453721  0.43906788  0.12034649
   0.38494838  0.34643347  0.25206029
   0.05240559  0.13713667  0.49253921
   0.41452838  0.12474153  0.85229771
   0.12492485  0.37328961  0.62214659
   0.37378045  0.36468084  0.74092658
   0.14408240  0.70176939  0.00702167
   0.42433809  0.60009294  0.37252802
   0.06267929  0.91424427  0.15008052
   0.31312777  0.83842117  0.26507466
   0.16706852  0.61713034  0.49182548
   0.37268955  0.61193857  0.86296110
   0.06145964  0.87682326  0.60051497
   0.33770503  0.98489934  0.68744582
   0.62878980  0.11904049  1.01009115
   0.83401832  0.13432103  0.34420603
   0.63269299  0.39297722  0.11831593
   0.90145313  0.31523219  0.16336093
   0.61671222  0.18337721  0.49928666
   0.89392503  0.10085562  0.88927108
   0.62807799  0.44579394  0.62286785
   0.76059643  0.34930511  0.81157777
   0.60377002  0.66299741 -0.00028892
   0.90174437  0.61496226  0.38002852
   0.55220191  0.89654529  0.13740028
   0.81206747  0.84700167  0.24821191
   0.65267323  0.69674818  0.48518013
   0.85910271  0.63102539  0.90203583
   0.63161139  0.92468634  0.62651277
   0.83606427  0.86264976  0.76138973
   0.07692864  0.08083653  0.16017238
   0.36974214  0.17614702  0.28705385
   0.14763757  0.34040239  0.02804208
   0.38151145  0.44406541  0.33976747
   0.54241841  0.34529456  0.20585396
   0.29237008  0.38909348  0.17320853
   0.20925622  0.12589732  0.44912097
  -0.04060123  0.17953080  0.40568525
   0.02133639 -0.02230243  0.51582900
   0.44978264  0.23353519  0.77502634
   0.04599558  0.23374045  0.58723910
   0.32943839  0.44986068  0.83779695
   0.47992431  0.44977001  0.66881966
   0.24280109  0.31486284  0.68655347
   0.28217512  0.17755381 -0.09209899
   0.03002519  0.13439642  0.95023563
   0.15071043  0.60036017  0.10917751
   0.36777648  0.68845058  0.28243105
   0.12216985  0.85320097  0.04380027
   0.33792393  0.93485205  0.36500881
   0.39861316  0.90294116  0.17305502
   0.15098636  0.83658806  0.23777814
   0.33382479  0.64663769  0.47088571
   0.06776808  0.62063880  0.39672049
   0.18330697  0.47393724  0.53887239
   0.33913174  0.69204230  0.76133084
   0.10364599  0.72551340  0.56502626
   0.37864119  0.97412538  0.79611597
   0.45733116  0.88559529  0.63300726
   0.17709052  0.94499971  0.66552252
   0.28497472  0.67974312 -0.05328713
   0.01468957  0.65804900  0.94043643
   0.61741033  0.03957265  0.11097349
   0.83898221  0.21652916  0.24721701
   0.62483999  0.28509160  0.02319586
   0.84609549  0.46052380  0.38432124
   0.03452539  0.39673729  0.20210626
   0.79109923  0.43227781  0.14281473
   0.70658505  0.19674155  0.40829335
   0.46358264  0.14460622  0.46115859
   0.64971686  0.06520292  0.57275531
   0.85903868  0.20848797  0.80872905
   0.62424167  0.34125985  0.53367370
   0.84508632  0.46666403  0.87742173
   1.03377340  0.45522549  0.70075702
   0.74433787  0.40256032  0.69909906
   0.76901895  0.07497111  0.95951890
   0.51991408  0.07431321  0.92898563
   0.57625989  0.54148413  0.07505012
   0.86148234  0.70221747  0.28365339
   0.55866417  0.80595206  0.03709990
   0.83015297  0.96725015  0.33316048
   0.90458495  0.88075746  0.15217651
   0.66001365  0.82520311  0.20821947
   0.82208686  0.69952226  0.47050266
   0.58863420  0.61257154  0.39158468
   0.62779538  0.60640516  0.58350961
   0.81374619  0.70901132  0.80422101
   0.59244233  0.84038224  0.46019104
   0.92426840  0.94791837  0.84402454
   0.92768194  0.85742383  0.66681555
   0.69930403  0.94025134  0.73819251
   0.76470488  0.68712328  0.99145412
   0.52996557  0.63447331  0.89688096
   0.73353311  0.82218431  0.60033229
   0.50601000  0.87676531  0.45628459
   0.90347059  0.23441693  0.07931746
   0.88615428  0.37656817  0.41391594
   0.35567856  0.11070419  0.63620539
   0.40557257  0.76152024  0.73950171
   0.16403637  1.12823207  0.18197915
   0.24173893  1.10548089  0.06509781
   0.63044154  0.32097660  0.86109407
   0.94280925  0.44649406  0.68684234
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920943   -0.004580   -0.020623
    -0.000000    9.830243   -0.100361
    -0.000000    0.000000   14.006365
   Si   O    H 
    32    64    10
Direct configuration=  2594
   0.17312807  0.17780937 -0.00735161
   0.33784029  0.09422718  0.38766903
   0.15551406  0.43979077  0.12035346
   0.38537334  0.34515041  0.25326705
   0.05326428  0.13603417  0.49307544
   0.41394962  0.12345146  0.85239690
   0.12584390  0.37117837  0.62229945
   0.37408262  0.36483266  0.74094051
   0.14407351  0.69968527  0.00732913
   0.42533428  0.59986043  0.37217455
   0.06347440  0.91360592  0.14943325
   0.31370534  0.83852156  0.26526367
   0.16721676  0.61674397  0.49139454
   0.37213072  0.61251736  0.86359849
   0.06108194  0.87678569  0.60159121
   0.33590072  0.98468024  0.68706240
   0.63061842  0.11883341  1.01150459
   0.83401063  0.13453015  0.34492621
   0.63278927  0.39262549  0.11758064
   0.90214879  0.31555294  0.16254094
   0.61727739  0.18364821  0.50035552
   0.89368230  0.09909010  0.88863742
   0.62826105  0.44632699  0.62214995
   0.76094467  0.34909817  0.81099940
   0.60346391  0.66202656 -0.00014242
   0.90056701  0.61517441  0.38052256
   0.55208577  0.89597628  0.13752109
   0.81229217  0.84791332  0.24825729
   0.65274613  0.69694567  0.48451891
   0.85986268  0.63200859  0.90210830
   0.63119194  0.92385656  0.62655366
   0.83683313  0.86283711  0.76132764
   0.07619290  0.07923811  0.16093858
   0.36948519  0.17632351  0.28810837
   0.14925307  0.33972300  0.02841875
   0.38122911  0.44479833  0.33983920
   0.54355775  0.34505415  0.20611837
   0.29578481  0.38863510  0.17464195
   0.20919848  0.12702072  0.44893131
  -0.04001502  0.18023529  0.40613692
   0.02012703 -0.02328010  0.51545348
   0.45046461  0.23433172  0.77438402
   0.04718134  0.23600544  0.58709317
   0.32873596  0.45073998  0.83823933
   0.48020817  0.45123291  0.66999090
   0.24176575  0.31516484  0.68644491
   0.28135318  0.17585385 -0.09162116
   0.03121330  0.13513823  0.94973947
   0.14913062  0.60172146  0.10932394
   0.36585956  0.68906459  0.28238235
   0.12312086  0.85499241  0.04368883
   0.33868127  0.93493742  0.36398511
   0.39944497  0.90388178  0.17361648
   0.15024671  0.83767012  0.23756143
   0.33296133  0.64612395  0.47082657
   0.06760554  0.62017073  0.39704278
   0.18220628  0.47457421  0.53857162
   0.33821770  0.69185553  0.76179209
   0.10134757  0.72676421  0.56531466
   0.37882988  0.97426115  0.79581564
   0.45826375  0.88630036  0.63253802
   0.17843861  0.94366797  0.66522113
   0.28536301  0.67957790 -0.05421474
   0.01316912  0.65762097  0.94013058
   0.61597498  0.04028920  0.11049843
   0.83818465  0.21645480  0.24863747
   0.62311442  0.28271942  0.02358871
   0.84472364  0.46156874  0.38480618
   0.03395477  0.39774670  0.20206908
   0.79081941  0.43230818  0.14292664
   0.70614460  0.19520143  0.40791346
   0.46305123  0.14603834  0.46233789
   0.65146540  0.06737751  0.57289149
   0.85734436  0.20871273  0.80831057
   0.62406357  0.34167008  0.53347771
   0.84809374  0.46711877  0.87913954
   1.03407366  0.45622873  0.70031075
   0.74345392  0.40231643  0.69947393
   0.76816741  0.07619523  0.95931324
   0.52060278  0.07417092  0.92956510
   0.57643408  0.54245706  0.07526649
   0.86275836  0.70091139  0.28406012
   0.55769378  0.80566580  0.03786670
   0.83176270  0.96934214  0.33386566
   0.90414606  0.88097335  0.15254634
   0.65724739  0.82495191  0.20841096
   0.82263980  0.69958219  0.47038130
   0.58925951  0.61329146  0.39162870
   0.62834677  0.60467332  0.58309882
   0.81219958  0.71085211  0.80393599
   0.59276397  0.84019380  0.46070062
   0.92389864  0.94840143  0.84304589
   0.92894286  0.85750011  0.66740510
   0.69993178  0.94181190  0.73774483
   0.76456206  0.68563257  0.99157265
   0.53038129  0.63478088  0.89669372
   0.71587087  0.82492089  0.59829953
   0.49518889  0.88607232  0.46357867
   0.90822644  0.22531972  0.07870849
   0.88172563  0.37630825  0.41189186
   0.35854859  0.11681132  0.62943294
   0.40081616  0.75947479  0.73932151
   0.15629287  1.13682848  0.18022787
   0.24221706  1.10011384  0.06784358
   0.64191197  0.32146109  0.85788475
   0.93728748  0.43968780  0.69073691
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920774   -0.002324   -0.019193
    -0.000000    9.830173   -0.099112
    -0.000000    0.000000   14.007467
   Si   O    H 
    32    64    10
Direct configuration=  2595
   0.17255468  0.17853488 -0.00654798
   0.33980728  0.09528736  0.38803724
   0.15623809  0.43914426  0.12088458
   0.38637726  0.34363163  0.25422575
   0.05417600  0.13458559  0.49357769
   0.41304310  0.12170135  0.85248627
   0.12674734  0.36985749  0.62206579
   0.37452187  0.36541252  0.74078058
   0.14376420  0.69757787  0.00733047
   0.42714904  0.59914110  0.37214943
   0.06520324  0.91294012  0.14887239
   0.31448540  0.83921227  0.26558586
   0.16752929  0.61657559  0.49067837
   0.37213472  0.61316654  0.86408152
   0.06033876  0.87634835  0.60267668
   0.33476151  0.98523557  0.68560977
   0.63205881  0.11840288  1.01289898
   0.83338543  0.13456888  0.34577318
   0.63317403  0.39280748  0.11668549
   0.90280871  0.31575714  0.16194314
   0.61744403  0.18476213  0.50114528
   0.89375435  0.09757253  0.88833996
   0.62871377  0.44720198  0.62116153
   0.76140745  0.34916475  0.81046831
   0.60302849  0.66141082 -0.00015271
   0.89935529  0.61578524  0.38140093
   0.55183955  0.89571421  0.13743830
   0.81234954  0.84881640  0.24829491
   0.65335208  0.69638551  0.48413103
   0.86056035  0.63219346  0.90224539
   0.63052337  0.92298386  0.62691043
   0.83842534  0.86314343  0.76170113
   0.07609375  0.07740757  0.16195336
   0.36888597  0.17680932  0.28921263
   0.15124076  0.33877233  0.02871510
   0.38098559  0.44574310  0.34089693
   0.54466126  0.34450950  0.20652014
   0.29742128  0.38986017  0.17536938
   0.20939948  0.12768631  0.44873290
  -0.03924208  0.18179049  0.40669435
   0.01924724 -0.02339178  0.51552625
   0.45120637  0.23391236  0.77366056
   0.04807677  0.23843737  0.58660634
   0.32816124  0.45162523  0.83849646
   0.48017195  0.45169141  0.67109880
   0.24054609  0.31527709  0.68678718
   0.28025430  0.17479972 -0.09140754
   0.03318617  0.13606068  0.94956641
   0.14844818  0.60337475  0.10880684
   0.36468865  0.69015410  0.28232453
   0.12427131  0.85679733  0.04400051
   0.33926598  0.93489072  0.36318327
   0.39960699  0.90604532  0.17379533
   0.15024001  0.83788703  0.23740472
   0.33162195  0.64626801  0.47046119
   0.06811527  0.62008159  0.39772195
   0.18119333  0.47453240  0.53949320
   0.33708530  0.69129855  0.76249814
   0.09968625  0.72753898  0.56552239
   0.37869916  0.97448448  0.79526684
   0.45952696  0.88727067  0.63232086
   0.17955298  0.94255790  0.66520940
   0.28573252  0.67922006 -0.05444100
   0.01208892  0.65674833  0.94004242
   0.61344899  0.04053136  0.11008140
   0.83762423  0.21579092  0.24928599
   0.62187568  0.28020855  0.02370058
   0.84337676  0.46281772  0.38614098
   0.03351959  0.39849928  0.20246444
   0.79034945  0.43266075  0.14278056
   0.70654451  0.19318777  0.40682873
   0.46239011  0.14685428  0.46342349
   0.65357072  0.06955892  0.57318218
   0.85604376  0.21016517  0.80766416
   0.62360180  0.34189152  0.53313953
   0.85071167  0.46835019  0.88071979
   1.03455898  0.45748173  0.69931505
   0.74326629  0.40292754  0.69990288
   0.76766005  0.07714087  0.95891240
   0.52094359  0.07355299  0.92996605
   0.57553939  0.54328258  0.07571191
   0.86402642  0.70111061  0.28523836
   0.55668974  0.80581704  0.03890526
   0.83391437  0.97104195  0.33471154
   0.90322086  0.88167878  0.15334850
   0.65555916  0.82557406  0.20855116
   0.82365498  0.69966482  0.47020222
   0.58956533  0.61346462  0.39180515
   0.62896523  0.60332262  0.58317360
   0.81095033  0.71145398  0.80417968
   0.59230469  0.84101941  0.46101922
   0.92387800  0.94888604  0.84107297
   0.93012728  0.85756641  0.66789091
   0.69989072  0.94394369  0.73707459
   0.76454011  0.68441718  0.99207421
   0.53114921  0.63512945  0.89671191
   0.70628832  0.81786285  0.59266015
   0.49359238  0.88853918  0.46926955
   0.91481300  0.21775200  0.07828089
   0.87820954  0.38087806  0.40879646
   0.36164404  0.12020595  0.62504221
   0.39657992  0.75959456  0.73875869
   0.14390501  1.13770941  0.18062843
   0.24402786  1.09475132  0.06724337
   0.64742835  0.32267617  0.85503398
   0.93381072  0.43399023  0.69278480
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920221   -0.000202   -0.017283
    -0.000000    9.829979   -0.098098
    -0.000000    0.000000   14.008269
   Si   O    H 
    32    64    10
Direct configuration=  2596
   0.17231738  0.17963584 -0.00599817
   0.34162071  0.09664935  0.38824850
   0.15723606  0.43824385  0.12163665
   0.38762470  0.34128420  0.25517145
   0.05547633  0.13314023  0.49421130
   0.41222152  0.11978623  0.85276312
   0.12760632  0.36868119  0.62203226
   0.37537758  0.36644605  0.74093610
   0.14342536  0.69599535  0.00737636
   0.42832964  0.59815711  0.37211934
   0.06710411  0.91236821  0.14831330
   0.31474927  0.83985886  0.26569388
   0.16833360  0.61682142  0.49037779
   0.37253108  0.61320786  0.86416319
   0.05974861  0.87588659  0.60365173
   0.33365788  0.98564720  0.68412535
   0.63360235  0.11805770  1.01387160
   0.83266169  0.13454778  0.34650271
   0.63368410  0.39275348  0.11581335
   0.90355455  0.31540362  0.16146606
   0.61740062  0.18588884  0.50181472
   0.89395068  0.09585423  0.88831224
   0.62963870  0.44816406  0.62017911
   0.76304524  0.34963841  0.81008859
   0.60330248  0.66082671 -0.00047981
   0.89820779  0.61582413  0.38248248
   0.55199454  0.89568737  0.13724641
   0.81333591  0.84968293  0.24800738
   0.65462468  0.69569141  0.48436113
   0.86198447  0.63253661  0.90203813
   0.63019227  0.92237340  0.62702693
   0.83981034  0.86361776  0.76208679
   0.07616534  0.07580020  0.16318149
   0.36771388  0.17828194  0.28901644
   0.15240791  0.33767201  0.02925992
   0.38058411  0.44724229  0.34246862
   0.54588959  0.34359274  0.20649948
   0.29860857  0.39219865  0.17492390
   0.20965704  0.12807286  0.44881003
  -0.03796900  0.18390647  0.40760593
   0.01831652 -0.02280569  0.51552245
   0.45308081  0.23300794  0.77378979
   0.04796627  0.23959999  0.58585173
   0.32785872  0.45268805  0.83876986
   0.48008770  0.45228067  0.67218207
   0.24034509  0.31482701  0.68634345
   0.27988562  0.17400789 -0.09158463
   0.03432578  0.13624839  0.94933340
   0.14808726  0.60436688  0.10759978
   0.36402168  0.69099645  0.28247170
   0.12516610  0.85827368  0.04411911
   0.33974011  0.93459338  0.36176314
   0.39939104  0.90812501  0.17381762
   0.14971189  0.83849748  0.23711746
   0.33035024  0.64645315  0.47021102
   0.06795758  0.62029435  0.39804653
   0.18036045  0.47366601  0.53985893
   0.33592074  0.69091753  0.76240297
   0.09759729  0.72784651  0.56565126
   0.37861194  0.97452993  0.79472767
   0.46115743  0.88813399  0.63210286
   0.17998939  0.94150570  0.66497014
   0.28551740  0.67915563 -0.05400724
   0.01090999  0.65624802  0.94010404
   0.61127071  0.04150227  0.10957133
   0.83763995  0.21459981  0.24982653
   0.62034333  0.27853690  0.02410532
   0.84201797  0.46504046  0.38704993
   0.03368072  0.39849887  0.20275949
   0.78944421  0.43207567  0.14224292
   0.70732839  0.19136726  0.40557821
   0.46171053  0.14827111  0.46423128
   0.65503315  0.07101805  0.57390045
   0.85444239  0.21182003  0.80643250
   0.62329710  0.34241987  0.53237599
   0.85286059  0.46952659  0.88123781
   1.03449616  0.45915119  0.69805646
   0.74297243  0.40361278  0.70100847
   0.76744977  0.07754343  0.95819165
   0.52138953  0.07325236  0.93048175
   0.57527109  0.54313931  0.07684441
   0.86479871  0.70130385  0.28581984
   0.55619757  0.80653554  0.03971023
   0.83540148  0.97285338  0.33480969
   0.90203484  0.88139961  0.15342912
   0.65467955  0.82651183  0.20847170
   0.82452165  0.69919227  0.46938975
   0.58949495  0.61295011  0.39235507
   0.62944459  0.60292953  0.58256454
   0.80982025  0.71189392  0.80455713
   0.59054604  0.84265979  0.46229093
   0.92409542  0.94966479  0.83958299
   0.93116616  0.85728304  0.66912093
   0.69921752  0.94599870  0.73629097
   0.76533427  0.68304651  0.99227685
   0.53238091  0.63490205  0.89678002
   0.70058562  0.80689811  0.58678120
   0.50221815  0.88134882  0.47402836
   0.91846147  0.21404557  0.08112982
   0.87923229  0.37897928  0.40495803
   0.35985593  0.11645326  0.62397284
   0.39607770  0.76406070  0.73616165
   0.13967757  1.14008020  0.18070724
   0.24391054  1.09228670  0.06387558
   0.64225162  0.31936257  0.85590750
   0.93680255  0.43103268  0.69516166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919355    0.001821   -0.015663
    -0.000000    9.829883   -0.097072
    -0.000000    0.000000   14.008843
   Si   O    H 
    32    64    10
Direct configuration=  2597
   0.17248246  0.18070396 -0.00533001
   0.34352488  0.09788885  0.38880023
   0.15813920  0.43718788  0.12205880
   0.38914190  0.33832478  0.25622184
   0.05668718  0.13193605  0.49477613
   0.41186909  0.11758440  0.85367910
   0.12798648  0.36826985  0.62267909
   0.37632524  0.36762615  0.74157640
   0.14278784  0.69516719  0.00735929
   0.42931432  0.59685660  0.37191469
   0.06869922  0.91175034  0.14749187
   0.31470714  0.84088945  0.26547534
   0.16961445  0.61709878  0.48981834
   0.37272139  0.61302296  0.86441371
   0.05919586  0.87590555  0.60431672
   0.33375484  0.98643248  0.68231960
   0.63437729  0.11691818  1.01464416
   0.83232523  0.13420863  0.34702588
   0.63394253  0.39263827  0.11477483
   0.90457136  0.31525174  0.16113156
   0.61752836  0.18707445  0.50198836
   0.89436892  0.09371993  0.88848973
   0.62999093  0.44914491  0.61983443
   0.76459935  0.35036488  0.81015572
   0.60352579  0.65985918 -0.00018045
   0.89751065  0.61576047  0.38319227
   0.55192457  0.89543041  0.13701197
   0.81371286  0.85029901  0.24774000
   0.65633208  0.69510592  0.48479468
   0.86336905  0.63347541  0.90185199
   0.62972668  0.92216275  0.62672814
   0.84041305  0.86371465  0.76284338
   0.07581598  0.07339043  0.16400367
   0.36615123  0.17986412  0.28871714
   0.15294115  0.33628495  0.02975703
   0.38075336  0.44871120  0.34401246
   0.54669090  0.34273473  0.20604151
   0.29907641  0.39455991  0.17414509
   0.20992710  0.12894888  0.44905695
  -0.03697812  0.18701206  0.40844549
   0.01796462 -0.02251047  0.51518027
   0.45441830  0.23138612  0.77342639
   0.04788724  0.23988720  0.58511225
   0.32807607  0.45465999  0.83909202
   0.47987487  0.45274000  0.67341721
   0.24076145  0.31447449  0.68636631
   0.27996782  0.17321433 -0.09186970
   0.03510712  0.13702745  0.94852160
   0.14766936  0.60566416  0.10604118
   0.36386822  0.69117826  0.28328699
   0.12636678  0.85915611  0.04453530
   0.34055710  0.93439028  0.36017146
   0.39932742  0.90926138  0.17443673
   0.14879576  0.83888156  0.23717956
   0.32960728  0.64664389  0.46926075
   0.06783636  0.62029412  0.39781514
   0.17957085  0.47233079  0.54049586
   0.33497713  0.69069804  0.76262839
   0.09643329  0.72772161  0.56572083
   0.37880728  0.97402504  0.79491744
   0.46243613  0.88887817  0.63157854
   0.18069008  0.93993288  0.66484060
   0.28454551  0.67967444 -0.05281829
   0.01073964  0.65527620  0.93979291
   0.60871466  0.04142160  0.10900818
   0.83772511  0.21375900  0.24917938
   0.61895501  0.27793022  0.02495454
   0.84058595  0.46645625  0.38770244
   0.03379154  0.39810098  0.20224714
   0.78824817  0.43143678  0.14171136
   0.70718368  0.18937417  0.40396155
   0.46074680  0.14869720  0.46518841
   0.65665614  0.07174483  0.57439515
   0.85301649  0.21350224  0.80524847
   0.62340680  0.34374220  0.53165890
   0.85440247  0.47122017  0.88097640
   1.03524338  0.46073072  0.69658302
   0.74237277  0.40467589  0.70127364
   0.76737530  0.07762018  0.95700200
   0.52105011  0.07285659  0.93147171
   0.57453723  0.54219291  0.07774701
   0.86579877  0.70125106  0.28639914
   0.55550945  0.80770233  0.03980747
   0.83661239  0.97399491  0.33457907
   0.90112046  0.88110220  0.15306364
   0.65448151  0.82695298  0.20886794
   0.82503753  0.69913300  0.46857067
   0.58867171  0.61225271  0.39262781
   0.62969091  0.60230501  0.58197597
   0.80851551  0.71216656  0.80484158
   0.58869011  0.84539727  0.46365960
   0.92398859  0.95048600  0.83908833
   0.93241155  0.85623633  0.67020724
   0.69810205  0.94820086  0.73608238
   0.76590257  0.68084101  0.99237040
   0.53325087  0.63499036  0.89703337
   0.69572220  0.79785969  0.58596319
   0.51109210  0.87138959  0.47902514
   0.92115299  0.21384435  0.08428804
   0.88066717  0.37725844  0.40160165
   0.35687787  0.10824493  0.62668293
   0.39635544  0.76792657  0.73533563
   0.14527818  1.14592221  0.18113451
   0.24446069  1.09180829  0.06006344
   0.62974749  0.31795773  0.85874350
   0.94743711  0.43228070  0.69363743
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918589    0.003479   -0.013839
    -0.000000    9.830124   -0.096270
    -0.000000    0.000000   14.009003
   Si   O    H 
    32    64    10
Direct configuration=  2598
   0.17316564  0.18164214 -0.00508301
   0.34574952  0.09853987  0.38944694
   0.15898474  0.43665512  0.12239356
   0.39104203  0.33486535  0.25749918
   0.05791309  0.13124661  0.49567584
   0.41179370  0.11571426  0.85486726
   0.12786078  0.36792554  0.62366893
   0.37793989  0.36902470  0.74268512
   0.14177384  0.69406760  0.00770959
   0.42984096  0.59615002  0.37184254
   0.07032993  0.91080422  0.14702992
   0.31438294  0.84172752  0.26484347
   0.17114341  0.61745248  0.48936102
   0.37146931  0.61274826  0.86404231
   0.05809089  0.87612740  0.60470790
   0.33386812  0.98768388  0.68089048
   0.63501283  0.11550293  1.01498950
   0.83229031  0.13382254  0.34683625
   0.63409763  0.39276401  0.11406095
   0.90486195  0.31546203  0.16096991
   0.61750409  0.18836045  0.50183598
   0.89503712  0.09185644  0.88880057
   0.62925988  0.45103923  0.61977881
   0.76571214  0.35109113  0.81061235
   0.60409049  0.65888709  0.00031362
   0.89737200  0.61590201  0.38415919
   0.55188519  0.89496634  0.13668348
   0.81375284  0.85059227  0.24773811
   0.65821662  0.69426737  0.48502506
   0.86503427  0.63419143  0.90182879
   0.62896259  0.92269051  0.62633059
   0.84040002  0.86394495  0.76329095
   0.07607138  0.07211529  0.16457077
   0.36440258  0.18145848  0.28805616
   0.15417576  0.33582172  0.03030450
   0.38032485  0.44924488  0.34578909
   0.54800960  0.34116016  0.20586955
   0.29971925  0.39731727  0.17356426
   0.20987356  0.13048779  0.44885435
  -0.03696400  0.18961070  0.40940734
   0.01704859 -0.02282538  0.51496030
   0.45534561  0.22983921  0.77295735
   0.04702553  0.23935254  0.58435485
   0.32869366  0.45675390  0.83940777
   0.47880612  0.45257514  0.67451978
   0.24184957  0.31404540  0.68675249
   0.27999139  0.17253023 -0.09195706
   0.03498949  0.13795873  0.94771799
   0.14714364  0.60625316  0.10436436
   0.36409338  0.69126961  0.28409741
   0.12696829  0.85881795  0.04408401
   0.34104357  0.93442389  0.35835642
   0.39948732  0.90874922  0.17560949
   0.14805591  0.83901084  0.23696771
   0.32996870  0.64704654  0.46847903
   0.06785316  0.61988434  0.39755596
   0.17880832  0.47098300  0.54198613
   0.33387092  0.69179833  0.76273229
   0.09580742  0.72716487  0.56606823
   0.37817398  0.97402788  0.79499183
   0.46254324  0.89050954  0.63083960
   0.18173844  0.93899932  0.66501248
   0.28401776  0.67966115 -0.05153247
   0.01152630  0.65494132  0.93956249
   0.60632390  0.04104618  0.10872426
   0.83856579  0.21294125  0.24849032
   0.61693040  0.27858049  0.02653680
   0.83941257  0.46785833  0.38874450
   0.03403470  0.39693170  0.20091236
   0.78712464  0.43049569  0.14130496
   0.70621203  0.18710508  0.40275445
   0.45980947  0.14916340  0.46575693
   0.65749883  0.07185470  0.57544851
   0.85212544  0.21403945  0.80468957
   0.62356705  0.34489800  0.53162836
   0.85523456  0.47236880  0.88035555
   1.03699928  0.46248913  0.69553678
   0.74137071  0.40521717  0.70095059
   0.76730151  0.07774704  0.95624112
   0.52057223  0.07218996  0.93262880
   0.57351468  0.54101121  0.07813731
   0.86607740  0.70181171  0.28716772
   0.55453926  0.80920980  0.03982931
   0.83710569  0.97414416  0.33372335
   0.90098708  0.88059425  0.15275848
   0.65442955  0.82789090  0.20969319
   0.82512088  0.69976047  0.46820984
   0.58756983  0.61147786  0.39286745
   0.63013966  0.60200407  0.58079887
   0.80767887  0.71189481  0.80527667
   0.58895406  0.84742595  0.46401674
   0.92383000  0.95206863  0.83920586
   0.93323539  0.85476254  0.67140330
   0.69691583  0.94994341  0.73565602
   0.76592453  0.67909040  0.99201430
   0.53349879  0.63515189  0.89700074
   0.69268281  0.79627812  0.58738222
   0.48072854  0.87238033  0.48699864
   0.92242693  0.21690919  0.08825479
   0.88280449  0.38089564  0.39899552
   0.35519392  0.09993677  0.63178639
   0.39040096  0.76124503  0.73702424
   0.14956521  1.14114955  0.18295387
   0.24857141  1.09127103  0.05459747
   0.62491595  0.32013035  0.86221548
   0.94123296  0.43566279  0.69124097
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917550    0.004869   -0.012093
    -0.000000    9.829823   -0.095491
    -0.000000    0.000000   14.008651
   Si   O    H 
    32    64    10
Direct configuration=  2599
   0.17407615  0.18282647 -0.00530601
   0.34767423  0.09914887  0.39030935
   0.15959088  0.43580417  0.12284972
   0.39332960  0.33220307  0.25835141
   0.05945954  0.12980382  0.49638291
   0.41132816  0.11355669  0.85594449
   0.12685749  0.36761558  0.62441131
   0.37948545  0.37046587  0.74373315
   0.14098702  0.69333735  0.00793095
   0.42976708  0.59619429  0.37186735
   0.07101092  0.90981615  0.14641107
   0.31430620  0.84193936  0.26441840
   0.17274499  0.61837649  0.48927064
   0.37029162  0.61232498  0.86342523
   0.05729760  0.87591706  0.60521871
   0.33359426  0.98886891  0.67977367
   0.63452620  0.11463094  1.01510714
   0.83219447  0.13329319  0.34662123
   0.63417830  0.39275809  0.11330452
   0.90470152  0.31518472  0.16140311
   0.61754864  0.18989800  0.50089638
   0.89607146  0.09096958  0.88907073
   0.62881163  0.45300086  0.62053861
   0.76667101  0.35221593  0.81113905
   0.60506942  0.65852522  0.00068956
   0.89797416  0.61567840  0.38543665
   0.55156448  0.89429769  0.13601976
   0.81367746  0.85074390  0.24752400
   0.65952496  0.69353487  0.48492141
   0.86605113  0.63476598  0.90132571
   0.62814600  0.92285050  0.62620726
   0.84017766  0.86444480  0.76385184
   0.07647613  0.07144597  0.16533942
   0.36269572  0.18307084  0.28764029
   0.15537726  0.33611666  0.03112006
   0.38058415  0.44847992  0.34693998
   0.54901175  0.33884189  0.20607805
   0.30026856  0.39957759  0.17314957
   0.20960419  0.13217680  0.44861272
  -0.03656992  0.19207749  0.41022120
   0.01548785 -0.02445619  0.51486557
   0.45549942  0.22829114  0.77221152
   0.04674686  0.23835730  0.58335588
   0.32951622  0.45898729  0.83973486
   0.47825069  0.45280616  0.67573397
   0.24343701  0.31339442  0.68750651
   0.28033590  0.17244953 -0.09195053
   0.03437399  0.13790455  0.94692093
   0.14692556  0.60544842  0.10263666
   0.36426751  0.69127436  0.28501089
   0.12730340  0.85910667  0.04385718
   0.34158004  0.93438820  0.35674531
   0.39825740  0.90864721  0.17651279
   0.14734696  0.83974059  0.23625441
   0.33039543  0.64767012  0.46771251
   0.06662486  0.61973507  0.39760886
   0.17868098  0.47035255  0.54311766
   0.33241102  0.69239572  0.76278632
   0.09590642  0.72739134  0.56627916
   0.37730203  0.97513165  0.79484522
   0.46225647  0.89240477  0.63013468
   0.18264020  0.93842575  0.66492680
   0.28306867  0.67915022 -0.05071675
   0.01265742  0.65407018  0.93934944
   0.60436748  0.04071717  0.10825976
   0.83940957  0.21249141  0.24777422
   0.61518936  0.27936351  0.02848781
   0.83777706  0.46847152  0.38974547
   0.03457493  0.39667835  0.19925565
   0.78697293  0.42913896  0.14086221
   0.70439318  0.18456980  0.40146407
   0.45897358  0.14985808  0.46632980
   0.65815736  0.07184110  0.57584744
   0.85092148  0.21435031  0.80425755
   0.62402991  0.34592097  0.53181071
   0.85537791  0.47228523  0.87985890
   1.03846932  0.46332160  0.69427170
   0.74025334  0.40548781  0.70016602
   0.76722983  0.07756980  0.95605947
   0.52082627  0.07083992  0.93359678
   0.57238656  0.53899908  0.07786856
   0.86707475  0.70251263  0.28815619
   0.55324732  0.80938521  0.04039650
   0.83771827  0.97220049  0.33248405
   0.90148702  0.88052674  0.15257087
   0.65462690  0.82813257  0.21073346
   0.82526555  0.70043383  0.46767377
   0.58609277  0.61065739  0.39304687
   0.63167209  0.60190888  0.57985313
   0.80760569  0.71254704  0.80515036
   0.58799403  0.85016445  0.46411111
   0.92397860  0.95304783  0.83950352
   0.93398550  0.85371118  0.67278201
   0.69608399  0.95104096  0.73539784
   0.76684880  0.67795520  0.99153643
   0.53326035  0.63549691  0.89647133
   0.69016945  0.80032836  0.59737474
   0.46582410  0.87254479  0.49031980
   0.92403485  0.21859063  0.08931737
   0.88423285  0.38654042  0.39699859
   0.35530673  0.10447762  0.63111534
   0.38425672  0.75880859  0.73571083
   0.14768811  1.12750490  0.18506670
   0.24946168  1.08980332  0.04981117
   0.62561818  0.32266408  0.86449886
   0.93472753  0.44351039  0.69018203
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916349    0.005680   -0.011054
    -0.000000    9.829385   -0.095034
    -0.000000    0.000000   14.008331
   Si   O    H 
    32    64    10
Direct configuration=  2600
   0.17499611  0.18353046 -0.00599694
   0.34906494  0.09966496  0.39067825
   0.16024219  0.43504411  0.12280460
   0.39569146  0.33005422  0.25860522
   0.06104887  0.12900584  0.49697834
   0.41157231  0.11203865  0.85669002
   0.12539722  0.36785287  0.62455442
   0.38052210  0.37165734  0.74413497
   0.14018262  0.69282893  0.00823837
   0.42953884  0.59639261  0.37233010
   0.07164533  0.90894156  0.14572415
   0.31325510  0.84204535  0.26358688
   0.17397969  0.61942994  0.48990102
   0.36957877  0.61244049  0.86264100
   0.05681294  0.87580932  0.60548618
   0.33399601  0.98907515  0.67886483
   0.63417984  0.11413665  1.01496651
   0.83215849  0.13301351  0.34659277
   0.63416666  0.39251065  0.11248630
   0.90460613  0.31485148  0.16216825
   0.61727355  0.19085248  0.49988392
   0.89718423  0.09088200  0.88939791
   0.62793402  0.45417415  0.62114297
   0.76698658  0.35323409  0.81171666
   0.60556607  0.65840058  0.00084514
   0.89924433  0.61565943  0.38662404
   0.55175480  0.89400948  0.13505396
   0.81386206  0.85040184  0.24720237
   0.66092446  0.69317616  0.48458095
   0.86681436  0.63471829  0.90120335
   0.62778984  0.92308897  0.62620995
   0.83960347  0.86546933  0.76426375
   0.07558876  0.07038127  0.16586417
   0.36129510  0.18454494  0.28713157
   0.15710594  0.33710019  0.03174991
   0.38053435  0.44689448  0.34734025
   0.54931401  0.33608302  0.20729804
   0.30097964  0.40174150  0.17281834
   0.21008746  0.13316850  0.44779812
  -0.03609651  0.19341344  0.41090146
   0.01394688 -0.02630951  0.51521245
   0.45584409  0.22747413  0.77214855
   0.04642417  0.23707864  0.58294455
   0.33008525  0.46071292  0.83957325
   0.47832536  0.45366418  0.67689164
   0.24578103  0.31268815  0.68837830
   0.28084876  0.17272407 -0.09263687
   0.03395973  0.13730665  0.94620971
   0.14662359  0.60394299  0.10106529
   0.36420825  0.68979053  0.28582176
   0.12723946  0.85901103  0.04350761
   0.34232989  0.93494482  0.35578667
   0.39812760  0.90885522  0.17719853
   0.14752974  0.84049548  0.23552692
   0.33074136  0.64848644  0.46697794
   0.06560062  0.61918258  0.39750738
   0.17937963  0.46948629  0.54385445
   0.33033220  0.69111493  0.76318950
   0.09653275  0.72681559  0.56582595
   0.37586905  0.97648882  0.79450116
   0.46171013  0.89553447  0.62931471
   0.18348494  0.93728688  0.66525592
   0.28210494  0.67928163 -0.04977884
   0.01467901  0.65362979  0.93910363
   0.60183105  0.04119575  0.10858745
   0.84136841  0.21231131  0.24662666
   0.61341547  0.28047147  0.03045418
   0.83549012  0.46884067  0.39020070
   0.03609446  0.39666299  0.19803161
   0.78761547  0.42822734  0.14112343
   0.70218731  0.18240421  0.40009243
   0.45780821  0.15084058  0.46708470
   0.65878502  0.07199961  0.57571711
   0.85066303  0.21324748  0.80437115
   0.62442795  0.34672292  0.53231765
   0.85514225  0.47160912  0.87882331
   1.03848241  0.46394423  0.69343275
   0.73863263  0.40615542  0.69951651
   0.76591079  0.07711165  0.95603957
   0.52165562  0.06978049  0.93512940
   0.57050150  0.53716118  0.07724164
   0.86779074  0.70372965  0.28912574
   0.55180143  0.80882242  0.04046130
   0.83797664  0.96980219  0.33202162
   0.90297291  0.88071049  0.15199761
   0.65492969  0.82874990  0.21174293
   0.82450279  0.70084486  0.46773685
   0.58459674  0.60975404  0.39286027
   0.63378448  0.60262478  0.57879325
   0.80725827  0.71228631  0.80555776
   0.58542804  0.85326321  0.46420324
   0.92464633  0.95391387  0.83971728
   0.93442549  0.85245737  0.67413871
   0.69511751  0.95205338  0.73536288
   0.76815122  0.67712762  0.99079164
   0.53356516  0.63536561  0.89579643
   0.69294731  0.80057975  0.60983105
   0.46583065  0.86583782  0.49161615
   0.92485426  0.21981361  0.08785094
   0.89331299  0.37940481  0.39632911
   0.35674833  0.11931628  0.62864572
   0.38891141  0.76931823  0.72910210
   0.15332257  1.11985381  0.18836527
   0.25384319  1.08461685  0.04985378
   0.63446508  0.32961614  0.86550517
   0.93971061  0.45331567  0.69221909
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915017    0.007093   -0.010197
    -0.000000    9.828684   -0.094252
    -0.000000    0.000000   14.007399
   Si   O    H 
    32    64    10
Direct configuration=  2601
   0.17602234  0.18430584 -0.00664219
   0.34968107  0.10102237  0.39139805
   0.16088124  0.43429840  0.12296935
   0.39829401  0.32897428  0.25793071
   0.06179561  0.12839618  0.49717462
   0.41235171  0.11091991  0.85738712
   0.12399729  0.36812725  0.62483881
   0.38183373  0.37254030  0.74444698
   0.13972718  0.69211688  0.00849522
   0.42916875  0.59708921  0.37272304
   0.07210145  0.90803730  0.14503046
   0.31197890  0.84126425  0.26258128
   0.17434269  0.62047099  0.49063165
   0.36938242  0.61282830  0.86224595
   0.05662044  0.87572284  0.60562421
   0.33409220  0.98887694  0.67807517
   0.63342537  0.11400271  1.01425180
   0.83238163  0.13313982  0.34658634
   0.63342648  0.39245493  0.11186119
   0.90490080  0.31449558  0.16298706
   0.61680608  0.19162714  0.49886699
   0.89810620  0.09094953  0.88944800
   0.62720651  0.45491728  0.62228393
   0.76754619  0.35482679  0.81247145
   0.60582949  0.65877472  0.00088476
   0.90111938  0.61609237  0.38734176
   0.55223976  0.89369559  0.13431846
   0.81399905  0.85030123  0.24703584
   0.66224946  0.69267275  0.48451986
   0.86745057  0.63498676  0.90124194
   0.62758682  0.92412715  0.62613761
   0.83891262  0.86638572  0.76449718
   0.07513378  0.07039499  0.16688579
   0.36003852  0.18465821  0.28631514
   0.15803729  0.33813379  0.03247274
   0.38095770  0.44546364  0.34763234
   0.55010685  0.33391868  0.20790162
   0.30201021  0.40354797  0.17263835
   0.21051582  0.13442549  0.44734464
  -0.03554248  0.19418997  0.41140683
   0.01256021 -0.02833415  0.51565069
   0.45581912  0.22647080  0.77248506
   0.04603151  0.23553531  0.58243392
   0.33072857  0.46227090  0.83830081
   0.47980427  0.45371993  0.67797812
   0.24700022  0.31229520  0.68917762
   0.28243155  0.17301922 -0.09354701
   0.03372798  0.13732264  0.94568600
   0.14707254  0.60213376  0.09968515
   0.36522559  0.68827110  0.28622847
   0.12699050  0.85880958  0.04245516
   0.34353291  0.93631518  0.35506626
   0.39762330  0.90852594  0.17658387
   0.14842264  0.84064568  0.23483955
   0.33103794  0.64831653  0.46670624
   0.06521106  0.61828616  0.39710072
   0.17988516  0.46822194  0.54447628
   0.32949020  0.69012942  0.76363298
   0.09756412  0.72586478  0.56515778
   0.37532970  0.97756560  0.79410964
   0.46134013  0.89850531  0.62847664
   0.18466816  0.93588769  0.66496772
   0.28206627  0.67929183 -0.04919782
   0.01656112  0.65361215  0.93837126
   0.59985081  0.04121353  0.10887839
   0.84275243  0.21266689  0.24568354
   0.61204803  0.28208452  0.03224067
   0.83330402  0.46797819  0.39085013
   0.03755770  0.39604546  0.19682356
   0.78866257  0.42766750  0.14137429
   0.69983202  0.18053717  0.39924480
   0.45707568  0.15188414  0.46768157
   0.65944203  0.07211988  0.57566706
   0.85100593  0.21158897  0.80494406
   0.62391285  0.34692868  0.53255483
   0.85455888  0.47077556  0.87804301
   1.03844043  0.46443865  0.69250976
   0.73680957  0.40750101  0.69851875
   0.76475081  0.07625573  0.95575645
   0.52182961  0.06877837  0.93673667
   0.56851751  0.53545280  0.07632553
   0.86805703  0.70390621  0.28947532
   0.54989795  0.80841624  0.04046432
   0.83809629  0.96801886  0.33148975
   0.90363447  0.88028162  0.15135678
   0.65453371  0.82878839  0.21288072
   0.82374995  0.70134047  0.46815707
   0.58345545  0.60950545  0.39233623
   0.63523211  0.60371845  0.57848337
   0.80843727  0.71324342  0.80553377
   0.58234016  0.85572404  0.46424395
   0.92583140  0.95434058  0.84013064
   0.93460587  0.85080877  0.67508090
   0.69545224  0.95241425  0.73593356
   0.76897246  0.67638094  0.99003735
   0.53289699  0.63570012  0.89561977
   0.69900357  0.79692450  0.61869542
   0.47909856  0.85653172  0.48647179
   0.92695611  0.21908394  0.08466021
   0.89882656  0.37979583  0.39789827
   0.35609445  0.13032479  0.62696818
   0.38377620  0.76938438  0.72667335
   0.16001365  1.11228091  0.19294877
   0.25604757  1.08165934  0.05201322
   0.64583741  0.33598732  0.86646864
   0.94743286  0.46585914  0.69306925
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914170    0.008593   -0.009315
    -0.000000    9.828100   -0.093566
    -0.000000    0.000000   14.006714
   Si   O    H 
    32    64    10
Direct configuration=  2602
   0.17729667  0.18406504 -0.00688907
   0.34958169  0.10149681  0.39199592
   0.16120123  0.43387364  0.12336928
   0.40086926  0.32873140  0.25758796
   0.06250019  0.12812918  0.49702105
   0.41293514  0.10994167  0.85775455
   0.12302646  0.36817533  0.62530006
   0.38260639  0.37298754  0.74492113
   0.13895331  0.69217214  0.00870503
   0.42870032  0.59730960  0.37286599
   0.07279412  0.90696253  0.14434859
   0.31078721  0.84128298  0.26120425
   0.17457502  0.62064395  0.49142436
   0.36997784  0.61374510  0.86221262
   0.05661464  0.87614779  0.60554750
   0.33435433  0.98900417  0.67729146
   0.63178797  0.11434925  1.01289061
   0.83323756  0.13335907  0.34657671
   0.63268194  0.39309563  0.11142971
   0.90377443  0.31357915  0.16382748
   0.61684738  0.19180922  0.49800508
   0.89861027  0.09084700  0.88940323
   0.62602332  0.45542924  0.62324435
   0.76834428  0.35661411  0.81309356
   0.60644191  0.65909390  0.00146432
   0.90280463  0.61640668  0.38777038
   0.55273498  0.89282154  0.13373608
   0.81444462  0.84972738  0.24643186
   0.66288893  0.69223154  0.48433045
   0.86739787  0.63530509  0.90149881
   0.62827455  0.92471962  0.62636924
   0.83753655  0.86711003  0.76505528
   0.07455344  0.07172402  0.16872758
   0.35817880  0.18440629  0.28572329
   0.15907947  0.33959364  0.03263338
   0.38196946  0.44326548  0.34812028
   0.55111740  0.33198831  0.20867712
   0.30399926  0.40508460  0.17291983
   0.21176628  0.13517020  0.44730037
  -0.03566964  0.19472885  0.41152424
   0.01190993 -0.02958680  0.51580102
   0.45582087  0.22541839  0.77268985
   0.04584080  0.23339524  0.58259230
   0.33235347  0.46417222  0.83715444
   0.48163967  0.45445169  0.67873626
   0.24833881  0.31209328  0.68975828
   0.28336123  0.17303712 -0.09523276
   0.03386987  0.13753091  0.94514114
   0.14723760  0.59892975  0.09858255
   0.36558051  0.68723155  0.28692028
   0.12654510  0.85852158  0.04097980
   0.34539595  0.93862852  0.35434878
   0.39720179  0.90899203  0.17622253
   0.15009951  0.84000951  0.23468215
   0.33142262  0.64827491  0.46613921
   0.06501692  0.61753634  0.39691239
   0.18101798  0.46726770  0.54439729
   0.32824874  0.68936933  0.76382994
   0.09907643  0.72538846  0.56447042
   0.37513173  0.97828212  0.79349771
   0.46051524  0.90105249  0.62762837
   0.18545395  0.93524416  0.66409444
   0.28257935  0.67921985 -0.04833702
   0.01795598  0.65381495  0.93832927
   0.59825011  0.04116155  0.10932872
   0.84435537  0.21269549  0.24465546
   0.61180694  0.28292872  0.03355626
   0.83155391  0.46619374  0.39161241
   0.03856055  0.39509617  0.19591790
   0.78980656  0.42696804  0.14143123
   0.69670580  0.17955309  0.39901168
   0.45650641  0.15311870  0.46826476
   0.65977803  0.07262939  0.57566435
   0.85071556  0.20923556  0.80562726
   0.62318251  0.34671688  0.53311808
   0.85383524  0.46831480  0.87749126
   1.03938889  0.46558301  0.69191360
   0.73519847  0.40943427  0.69763467
   0.76434057  0.07597475  0.95587719
   0.52139374  0.06724913  0.93810865
   0.56682322  0.53415658  0.07490813
   0.86823463  0.70343491  0.28984800
   0.54779926  0.80703165  0.04077158
   0.83811940  0.96743863  0.33122580
   0.90417951  0.88017566  0.15066161
   0.65408276  0.82897800  0.21420993
   0.82223982  0.70144184  0.46898066
   0.58224531  0.60981251  0.39181683
   0.63645710  0.60373739  0.57850535
   0.80949601  0.71404758  0.80643989
   0.57854384  0.85793302  0.46438278
   0.92784352  0.95453784  0.84118049
   0.93395963  0.84933814  0.67588352
   0.69646183  0.95269793  0.73643628
   0.76890538  0.67614649  0.98958639
   0.53133475  0.63622980  0.89582580
   0.70717293  0.79546489  0.62313803
   0.49691643  0.84727413  0.47740790
   0.92627826  0.22115257  0.08044751
   0.89426634  0.38810065  0.39964806
   0.35238502  0.13124800  0.62754968
   0.37653312  0.76111164  0.73072639
   0.16092094  1.10437727  0.19454145
   0.25345306  1.08587896  0.05356634
   0.65290568  0.34523332  0.86681146
   0.93803631  0.47816217  0.69305858
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913325    0.010501   -0.007952
    -0.000000    9.826963   -0.092957
    -0.000000    0.000000   14.006453
   Si   O    H 
    32    64    10
Direct configuration=  2603
   0.17836644  0.18327664 -0.00706024
   0.34911546  0.10186612  0.39223131
   0.16148992  0.43355336  0.12389367
   0.40388797  0.32952974  0.25697537
   0.06303450  0.12830384  0.49653008
   0.41399460  0.10866068  0.85771202
   0.12234255  0.36785371  0.62567746
   0.38253358  0.37286223  0.74524041
   0.13804680  0.69269533  0.00834481
   0.42770052  0.59752630  0.37264690
   0.07277708  0.90602781  0.14407233
   0.30951461  0.84137561  0.26049079
   0.17458716  0.62020194  0.49235703
   0.37078547  0.61504959  0.86250999
   0.05636987  0.87520978  0.60587211
   0.33512119  0.98915706  0.67702928
   0.63052450  0.11523767  1.01183355
   0.83357246  0.13331550  0.34672538
   0.63186747  0.39389896  0.11116144
   0.90215848  0.31257802  0.16449394
   0.61661374  0.19189240  0.49739505
   0.89937573  0.09163248  0.88957251
   0.62448892  0.45630496  0.62408060
   0.76973394  0.35873388  0.81329730
   0.60693889  0.65956595  0.00196485
   0.90423100  0.61698256  0.38806583
   0.55278678  0.89192140  0.13346947
   0.81494403  0.84952158  0.24578743
   0.66329860  0.69206611  0.48411341
   0.86637009  0.63509476  0.90166083
   0.62905258  0.92440415  0.62657840
   0.83609330  0.86815748  0.76514493
   0.07337923  0.07241410  0.17038011
   0.35642745  0.18323515  0.28510598
   0.15963506  0.34118500  0.03183607
   0.38266633  0.44138079  0.34873695
   0.55236094  0.33002286  0.20887684
   0.30589282  0.40624007  0.17320840
   0.21309426  0.13594925  0.44714663
  -0.03660732  0.19491539  0.41246191
   0.01214292 -0.03043041  0.51500251
   0.45580163  0.22493703  0.77294883
   0.04518321  0.23163551  0.58252410
   0.33348196  0.46539502  0.83671333
   0.48400379  0.45545102  0.67890460
   0.24977262  0.31210794  0.69098411
   0.28409603  0.17308693 -0.09714350
   0.03373808  0.13721107  0.94477135
   0.14735174  0.59570035  0.09766911
   0.36541943  0.68691917  0.28772808
   0.12634938  0.85680959  0.03996670
   0.34786647  0.94113123  0.35330560
   0.39715701  0.90941686  0.17518266
   0.15161829  0.83889387  0.23492300
   0.33149606  0.64758528  0.46546916
   0.06464973  0.61703508  0.39659685
   0.18256333  0.46570379  0.54393000
   0.32781435  0.68873444  0.76402004
   0.10069776  0.72469836  0.56397802
   0.37486254  0.98001150  0.79266353
   0.45963500  0.90327256  0.62653809
   0.18657158  0.93448362  0.66278133
   0.28269531  0.68023311 -0.04767491
   0.01929107  0.65382590  0.93795796
   0.59784206  0.04129431  0.11002031
   0.84647545  0.21368980  0.24322596
   0.61220280  0.28219080  0.03481843
   0.83012103  0.46455872  0.39235049
   0.04011451  0.39356501  0.19450202
   0.79061545  0.42602903  0.14160888
   0.69390303  0.17867518  0.39920185
   0.45667475  0.15451790  0.46834577
   0.65983491  0.07332038  0.57535559
   0.84967209  0.20736215  0.80665930
   0.62317503  0.34725839  0.53441523
   0.85279416  0.46618961  0.87673339
   1.03915161  0.46720082  0.69180281
   0.73410519  0.41103820  0.69771848
   0.76386204  0.07574211  0.95635594
   0.52039296  0.06548374  0.93905285
   0.56610616  0.53281801  0.07369746
   0.86766402  0.70307485  0.28966412
   0.54535598  0.80486946  0.03999167
   0.83814392  0.96649110  0.33099440
   0.90407674  0.87995300  0.14966259
   0.65400201  0.82931510  0.21553830
   0.82173224  0.70153738  0.47006734
   0.58171939  0.61018826  0.39255293
   0.63835727  0.60353197  0.57894604
   0.80969621  0.71469914  0.80821393
   0.57689399  0.86022413  0.46491790
   0.93005657  0.95430878  0.84241754
   0.93288243  0.84673982  0.67703999
   0.69630819  0.95260899  0.73699560
   0.76847052  0.67658741  0.98904684
   0.53015173  0.63679898  0.89649017
   0.71174433  0.79397596  0.62415931
   0.47632844  0.83699861  0.47583807
   0.92490972  0.22792175  0.07339540
   0.89028145  0.39675356  0.40150304
   0.34915560  0.12750693  0.63167740
   0.36978789  0.75383199  0.73856006
   0.15656389  1.09683149  0.19538422
   0.24740273  1.09397541  0.05558197
   0.65438548  0.34997158  0.86691019
   0.93699997  0.48801290  0.69311514
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912252    0.012330   -0.006911
    -0.000000    9.825935   -0.092390
    -0.000000    0.000000   14.006071
   Si   O    H 
    32    64    10
Direct configuration=  2604
   0.17888931  0.18275664 -0.00790476
   0.34818518  0.10123041  0.39223967
   0.16214521  0.43379282  0.12432899
   0.40624542  0.33083559  0.25608776
   0.06413879  0.12889835  0.49600090
   0.41505419  0.10797244  0.85739340
   0.12142806  0.36825097  0.62637011
   0.38248137  0.37275318  0.74546426
   0.13725743  0.69316305  0.00804753
   0.42604357  0.59794175  0.37207251
   0.07231727  0.90460941  0.14389560
   0.30863512  0.84168016  0.26004221
   0.17471086  0.61894552  0.49310623
   0.37135598  0.61612900  0.86323868
   0.05600576  0.87375770  0.60573966
   0.33564528  0.98938981  0.67737176
   0.62876181  0.11665326  1.01075754
   0.83413432  0.13361127  0.34692696
   0.63083998  0.39486455  0.11113611
   0.90077702  0.31125765  0.16465173
   0.61606307  0.19156989  0.49705554
   0.90011883  0.09269207  0.88944715
   0.62319676  0.45729930  0.62444113
   0.77119265  0.36032547  0.81313848
   0.60662179  0.66009960  0.00203727
   0.90567146  0.61728097  0.38827693
   0.55257154  0.89201933  0.13339817
   0.81513090  0.84916181  0.24485871
   0.66339127  0.69178391  0.48379818
   0.86602357  0.63487060  0.90190134
   0.62968406  0.92376923  0.62697820
   0.83466963  0.86909019  0.76545801
   0.07122287  0.07290931  0.17117155
   0.35530021  0.18163565  0.28500900
   0.15941716  0.34288473  0.03086479
   0.38357515  0.43941426  0.34888258
   0.55368604  0.32811799  0.20911032
   0.30846405  0.40647116  0.17334057
   0.21367544  0.13581919  0.44729565
  -0.03747571  0.19420191  0.41370931
   0.01244417 -0.03108570  0.51415902
   0.45723290  0.22410320  0.77330490
   0.04474606  0.23019489  0.58264217
   0.33431318  0.46607916  0.83623712
   0.48544214  0.45667088  0.67976408
   0.25147660  0.31273975  0.69192592
   0.28360903  0.17302495 -0.09861976
   0.03396917  0.13688655  0.94416152
   0.14770603  0.59296139  0.09702165
   0.36466370  0.68692047  0.28848119
   0.12609391  0.85577113  0.03874501
   0.35003464  0.94275033  0.35246874
   0.39748523  0.90955919  0.17355588
   0.15275701  0.83706311  0.23477120
   0.33148308  0.64773026  0.46448485
   0.06500471  0.61598282  0.39664692
   0.18386724  0.46375324  0.54310307
   0.32609492  0.68696593  0.76480400
   0.10216878  0.72406038  0.56356947
   0.37431127  0.98201330  0.79227862
   0.45945166  0.90553400  0.62557543
   0.18734943  0.93354610  0.66149290
   0.28163069  0.68021701 -0.04735190
   0.02003081  0.65379544  0.93735860
   0.59803189  0.04189640  0.10995257
   0.84816427  0.21437728  0.24270633
   0.61263804  0.27999106  0.03543787
   0.82828868  0.46413507  0.39270835
   0.04222406  0.39281613  0.19360285
   0.79067856  0.42624849  0.14156341
   0.69219061  0.17796968  0.39932595
   0.45696145  0.15601313  0.46752069
   0.65993431  0.07396930  0.57496941
   0.84850199  0.20517796  0.80788415
   0.62331852  0.34727763  0.53623940
   0.85118615  0.46494344  0.87639447
   1.03801016  0.46939117  0.69220726
   0.73402304  0.41227620  0.69869158
   0.76348984  0.07598063  0.95680244
   0.51954715  0.06392442  0.93969697
   0.56516212  0.53218004  0.07265436
   0.86724507  0.70325293  0.28947843
   0.54280759  0.80279351  0.03928620
   0.83747675  0.96597396  0.33063812
   0.90393271  0.87956630  0.14914648
   0.65404514  0.83038483  0.21640271
   0.82061681  0.70238991  0.47106704
   0.58222802  0.60981446  0.39409605
   0.64036436  0.60239959  0.57921264
   0.81087363  0.71559503  0.80969205
   0.57556222  0.86133061  0.46582682
   0.93245626  0.95410654  0.84287057
   0.93279985  0.84491755  0.67789068
   0.69712458  0.95291099  0.73774600
   0.76820158  0.67724866  0.98875177
   0.52942580  0.63741894  0.89660593
   0.71328840  0.79725856  0.62108388
   0.46712756  0.83193396  0.47200766
   0.92169253  0.23895051  0.07050186
   0.89737891  0.39267984  0.40632130
   0.34498388  0.12220813  0.63619716
   0.38176140  0.77387379  0.73582241
   0.16415049  1.09292230  0.19946038
   0.24266294  1.09993082  0.06033199
   0.64676341  0.35580877  0.86904656
   0.94595563  0.49619271  0.69057232
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910756    0.014804   -0.006098
    -0.000000    9.824322   -0.092432
    -0.000000    0.000000   14.005625
   Si   O    H 
    32    64    10
Direct configuration=  2605
   0.18008887  0.18233940 -0.00882121
   0.34773751  0.10035207  0.39205877
   0.16273361  0.43413893  0.12462492
   0.40808719  0.33194241  0.25582436
   0.06524897  0.12935164  0.49503656
   0.41620744  0.10771963  0.85683944
   0.12081031  0.36811018  0.62684077
   0.38240790  0.37183579  0.74604083
   0.13722735  0.69337331  0.00785411
   0.42391000  0.59782083  0.37158381
   0.07177969  0.90341745  0.14383712
   0.30897806  0.84205380  0.25984450
   0.17424040  0.61731703  0.49380188
   0.37206023  0.61822400  0.86392509
   0.05593777  0.87155945  0.60605466
   0.33705445  0.98939825  0.67806197
   0.62723857  0.11788554  1.01014861
   0.83465122  0.13370990  0.34731697
   0.62956265  0.39585971  0.11131248
   0.90088520  0.30975314  0.16465852
   0.61557934  0.19092606  0.49694201
   0.90107072  0.09389548  0.88862438
   0.62267036  0.45768132  0.62479997
   0.77228712  0.36144969  0.81294105
   0.60564366  0.66065668  0.00146469
   0.90597718  0.61793601  0.38769116
   0.55219506  0.89178381  0.13311678
   0.81522702  0.84866583  0.24357835
   0.66280375  0.69114254  0.48326210
   0.86523962  0.63421149  0.90199123
   0.62969892  0.92384193  0.62714341
   0.83358290  0.87030316  0.76653054
   0.06955083  0.07262160  0.17190466
   0.35432252  0.18079728  0.28548064
   0.15958791  0.34468301  0.02979109
   0.38447134  0.43692251  0.34928271
   0.55594005  0.32656227  0.20873749
   0.31013404  0.40666088  0.17350843
   0.21403674  0.13532520  0.44744409
  -0.03923483  0.19384072  0.41450874
   0.01252830 -0.03098797  0.51341667
   0.45859375  0.22329017  0.77411533
   0.04436850  0.22884968  0.58320483
   0.33436827  0.46585157  0.83582594
   0.48592978  0.45768450  0.68032411
   0.25274898  0.31216548  0.69222755
   0.28289923  0.17274921 -0.10009923
   0.03501994  0.13650603  0.94363960
   0.14853439  0.59107905  0.09659824
   0.36405150  0.68765483  0.28872178
   0.12562579  0.85463644  0.03678460
   0.35201408  0.94420263  0.35174702
   0.39777696  0.90968512  0.17305750
   0.15420209  0.83504818  0.23517918
   0.33181722  0.64790273  0.46345130
   0.06556485  0.61525847  0.39676158
   0.18513322  0.46184829  0.54182950
   0.32530286  0.68533375  0.76493944
   0.10429000  0.72455402  0.56296814
   0.37343271  0.98386807  0.79199469
   0.46021696  0.90663595  0.62518978
   0.18816510  0.93263275  0.66045051
   0.27982325  0.68077690 -0.04684117
   0.02022382  0.65344944  0.93635970
   0.59854456  0.04328370  0.11007576
   0.84913030  0.21479409  0.24251649
   0.61315052  0.27737885  0.03550834
   0.82755381  0.46375569  0.39314425
   0.04453887  0.39206826  0.19290492
   0.78945325  0.42758029  0.14170317
   0.69086733  0.17767520  0.39916376
   0.45734190  0.15820767  0.46675900
   0.66008795  0.07461307  0.57372645
   0.84742247  0.20410382  0.80985507
   0.62378683  0.34738940  0.53783549
   0.85020662  0.46471731  0.87618682
   1.03669269  0.47096501  0.69266300
   0.73410342  0.41287223  0.70017210
   0.76306922  0.07663201  0.95692767
   0.51888349  0.06214224  0.94035343
   0.56499399  0.53190333  0.07170362
   0.86641192  0.70355316  0.28875439
   0.54059393  0.80077299  0.03851211
   0.83680371  0.96588392  0.33093704
   0.90314336  0.87955536  0.14827785
   0.65407740  0.83194578  0.21705017
   0.82059141  0.70288250  0.47157188
   0.58264464  0.60860342  0.39517824
   0.64186287  0.60211860  0.57945447
   0.81256962  0.71670663  0.81130984
   0.57376905  0.86091714  0.46672689
   0.93498551  0.95298756  0.84276616
   0.93267405  0.84305247  0.67808671
   0.69767978  0.95361627  0.73833728
   0.76773417  0.67794645  0.98897072
   0.53041536  0.63787235  0.89634003
   0.71595121  0.80098139  0.61633109
   0.47473345  0.83020472  0.47008470
   0.92022517  0.25136684  0.07235341
   0.90381454  0.38985796  0.40970245
   0.33930544  0.11670664  0.63862049
   0.38450444  0.77651843  0.73788178
   0.16511916  1.08924348  0.20199945
   0.23676906  1.10263419  0.06665639
   0.63914436  0.36162629  0.86969497
   0.95403979  0.50479244  0.68606275
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909212    0.017317   -0.005246
    -0.000000    9.822237   -0.091826
    -0.000000    0.000000   14.004846
   Si   O    H 
    32    64    10
Direct configuration=  2606
   0.18132633  0.18287163 -0.00968788
   0.34713830  0.09953814  0.39185283
   0.16317055  0.43467338  0.12517341
   0.40938476  0.33311768  0.25558331
   0.06558136  0.12935862  0.49400731
   0.41736380  0.10712607  0.85613876
   0.12029678  0.36811007  0.62692027
   0.38268025  0.37032390  0.74656300
   0.13789398  0.69296500  0.00757270
   0.42188077  0.59667582  0.37140183
   0.07074257  0.90270805  0.14402273
   0.30979657  0.84246840  0.26010319
   0.17334832  0.61506428  0.49446664
   0.37250392  0.61989733  0.86468676
   0.05604171  0.86895526  0.60615120
   0.33834788  0.98946732  0.67889974
   0.62593490  0.11964355  1.00905828
   0.83469083  0.13385205  0.34726477
   0.62896703  0.39649022  0.11201792
   0.90134008  0.30865344  0.16418396
   0.61503450  0.19022657  0.49695805
   0.90092481  0.09557961  0.88796183
   0.62209485  0.45779286  0.62500613
   0.77325707  0.36247456  0.81266964
   0.60439112  0.66108415  0.00067885
   0.90610385  0.61782266  0.38706283
   0.55212351  0.89092941  0.13312760
   0.81509480  0.84816232  0.24279652
   0.66271041  0.69112726  0.48278170
   0.86423738  0.63314157  0.90191992
   0.62955195  0.92435883  0.62725405
   0.83204890  0.87107662  0.76778541
   0.06975807  0.07322684  0.17321992
   0.35311704  0.17998779  0.28611838
   0.15937956  0.34687129  0.02832694
   0.38564668  0.43474367  0.34928745
   0.55815528  0.32559853  0.20875472
   0.31266836  0.40634258  0.17353221
   0.21356864  0.13538599  0.44756039
  -0.04166620  0.19413105  0.41475665
   0.01255470 -0.03120239  0.51286326
   0.46054709  0.22315989  0.77520156
   0.04355203  0.22799559  0.58369246
   0.33472211  0.46517601  0.83443440
   0.48559157  0.45782932  0.68077372
   0.25292460  0.31136987  0.69176655
   0.28231322  0.17366865 -0.10120726
   0.03652866  0.13658616  0.94323288
   0.15008632  0.58887057  0.09691808
   0.36373297  0.68948434  0.28836634
   0.12489651  0.85428109  0.03557712
   0.35317862  0.94567780  0.35043434
   0.39639242  0.90961849  0.17233731
   0.15474779  0.83360380  0.23574544
   0.33230250  0.64853462  0.46230523
   0.06666980  0.61433823  0.39793264
   0.18706244  0.46084315  0.54025010
   0.32503362  0.68480303  0.76484933
   0.10597988  0.72429350  0.56300721
   0.37275459  0.98527133  0.79105317
   0.46085833  0.90767492  0.62433078
   0.18872654  0.93188102  0.65996778
   0.27802720  0.68087422 -0.04612355
   0.01906449  0.65330465  0.93552571
   0.59876222  0.04443418  0.11020785
   0.84984811  0.21426576  0.24331299
   0.61387346  0.27466242  0.03565935
   0.82747100  0.46262425  0.39331785
   0.04503293  0.39076281  0.19306434
   0.78795159  0.42836831  0.14171228
   0.69053910  0.17734841  0.39895800
   0.45832219  0.16012854  0.46580179
   0.66014556  0.07410633  0.57322535
   0.84656585  0.20330083  0.81184079
   0.62470478  0.34776640  0.53890331
   0.84989177  0.46511879  0.87633211
   1.03655289  0.47226394  0.69294252
   0.73471054  0.41304041  0.70149903
   0.76216303  0.07725504  0.95704790
   0.51786093  0.05959100  0.94097829
   0.56572157  0.53217204  0.07064856
   0.86585974  0.70317259  0.28849250
   0.53842187  0.79888826  0.03802418
   0.83549985  0.96513942  0.33137338
   0.90246874  0.87878507  0.14707468
   0.65380052  0.83394028  0.21717544
   0.82034572  0.70370850  0.47193432
   0.58398578  0.60754543  0.39627924
   0.64291913  0.60216757  0.57948333
   0.81276141  0.71786665  0.81235638
   0.57266417  0.85960179  0.46708837
   0.93661669  0.95138433  0.84255974
   0.93248781  0.84071811  0.67783188
   0.69786337  0.95418217  0.73867426
   0.76704320  0.67757995  0.98943870
   0.53116128  0.63857436  0.89565303
   0.71370370  0.80407401  0.60926466
   0.48938624  0.83266402  0.46950090
   0.91850753  0.25840467  0.07076434
   0.89864253  0.39415381  0.41299240
   0.33593221  0.11860850  0.64028057
   0.38014211  0.76464012  0.74586283
   0.15907769  1.08684598  0.19988278
   0.23586072  1.10191213  0.06917135
   0.63612628  0.36543380  0.86844540
   0.94363212  0.51830383  0.68225118
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907560    0.020344   -0.004039
    -0.000000    9.819771   -0.091391
    -0.000000    0.000000   14.004395
   Si   O    H 
    32    64    10
Direct configuration=  2607
   0.18235848  0.18379611 -0.01084638
   0.34708896  0.09886602  0.39129186
   0.16351029  0.43526373  0.12539468
   0.40978659  0.33402124  0.25564238
   0.06550897  0.12870611  0.49306951
   0.41870290  0.10718410  0.85543735
   0.12068405  0.36786753  0.62740232
   0.38306413  0.36867861  0.74678088
   0.13735523  0.69273465  0.00708202
   0.42007490  0.59577100  0.37141550
   0.06895159  0.90226628  0.14448112
   0.31103233  0.84320078  0.26032543
   0.17315890  0.61321379  0.49487724
   0.37292310  0.62187938  0.86546007
   0.05681743  0.86664053  0.60636014
   0.33933800  0.98980202  0.67979371
   0.62529593  0.12084390  1.00842067
   0.83454013  0.13434264  0.34716241
   0.62813762  0.39691820  0.11316791
   0.90176284  0.30791255  0.16385619
   0.61452599  0.18920647  0.49710562
   0.90042061  0.09760723  0.88744683
   0.62154886  0.45787064  0.62533746
   0.77352369  0.36297907  0.81225503
   0.60296480  0.66046100 -0.00041989
   0.90641523  0.61778696  0.38658231
   0.55273636  0.88989562  0.13335037
   0.81528008  0.84707526  0.24208670
   0.66209800  0.69121488  0.48260891
   0.86300371  0.63148857  0.90197713
   0.62950322  0.92580742  0.62736236
   0.83098270  0.87195155  0.76865203
   0.06980107  0.07328847  0.17406838
   0.35196305  0.17904947  0.28663659
   0.15870802  0.34864400  0.02529965
   0.38720757  0.43228852  0.34963683
   0.56012172  0.32535789  0.20852804
   0.31576447  0.40604515  0.17336382
   0.21213520  0.13561932  0.44797948
  -0.04434571  0.19434808  0.41490428
   0.01289895 -0.03141547  0.51254522
   0.46226982  0.22308933  0.77635757
   0.04298334  0.22780208  0.58479965
   0.33516964  0.46384066  0.83311602
   0.48447704  0.45808374  0.68118459
   0.25235115  0.31099000  0.69057721
   0.27998072  0.17525479 -0.10183347
   0.03804938  0.13659570  0.94308626
   0.15107799  0.58680732  0.09781664
   0.36325590  0.69131730  0.28730138
   0.12435626  0.85395422  0.03438566
   0.35365115  0.94715345  0.34958629
   0.39506825  0.90942997  0.17196589
   0.15475883  0.83332201  0.23556412
   0.33228844  0.64924643  0.46153624
   0.06807138  0.61303820  0.39900594
   0.18860630  0.45994638  0.53889965
   0.32583208  0.68454521  0.76415187
   0.10791816  0.72510386  0.56297871
   0.37223306  0.98591391  0.79034660
   0.46144178  0.90848282  0.62418461
   0.18862626  0.93111396  0.65963874
   0.27641854  0.68024489 -0.04575461
   0.01755809  0.65306873  0.93493926
   0.59863509  0.04501446  0.11059953
   0.84989004  0.21267955  0.24427054
   0.61475163  0.27287478  0.03624463
   0.82761137  0.46142475  0.39394068
   0.04468648  0.38912207  0.19344350
   0.78650098  0.42937272  0.14167220
   0.69068147  0.17687848  0.39884827
   0.45971440  0.16155515  0.46433226
   0.66010615  0.07288592  0.57315621
   0.84512704  0.20261390  0.81379827
   0.62594889  0.34760401  0.53948744
   0.85009516  0.46595111  0.87625925
   1.03572296  0.47391557  0.69333538
   0.73636833  0.41317530  0.70320067
   0.76259696  0.07782958  0.95710693
   0.51641326  0.05761323  0.94039596
   0.56594235  0.53322891  0.06914817
   0.86545171  0.70359315  0.28832978
   0.53598486  0.79777761  0.03743455
   0.83393440  0.96448772  0.33143127
   0.90141065  0.87846691  0.14678807
   0.65387950  0.83558272  0.21710734
   0.82014024  0.70494364  0.47232664
   0.58434663  0.60668419  0.39783757
   0.64431590  0.60313683  0.57901112
   0.81341200  0.71984290  0.81256835
   0.57328388  0.85842051  0.46727182
   0.93706116  0.94951721  0.84290521
   0.93216215  0.83878817  0.67713637
   0.69693807  0.95455664  0.73909646
   0.76664205  0.67668715  0.98990790
   0.53244381  0.64006356  0.89546696
   0.71142890  0.80671051  0.60312543
   0.47567889  0.83058085  0.47110064
   0.91851768  0.25630396  0.06562097
   0.88767391  0.40060118  0.41427039
   0.33471244  0.12300237  0.64136118
   0.36985015  0.75239094  0.75540374
   0.15221248  1.08671568  0.19929198
   0.23392857  1.10177943  0.06967305
   0.63744269  0.36882692  0.86448571
   0.94425144  0.52291092  0.67817563
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905732    0.023481   -0.002769
    -0.000000    9.817515   -0.091186
    -0.000000    0.000000   14.003769
   Si   O    H 
    32    64    10
Direct configuration=  2608
   0.18288814  0.18459152 -0.01197596
   0.34697970  0.09814272  0.39069131
   0.16405719  0.43446682  0.12525189
   0.41013925  0.33493928  0.25560004
   0.06494646  0.12860042  0.49231552
   0.41933553  0.10795647  0.85446904
   0.12109584  0.36741095  0.62756326
   0.38300887  0.36703344  0.74715041
   0.13671846  0.69255150  0.00693928
   0.41867380  0.59484076  0.37114146
   0.06698663  0.90231914  0.14448241
   0.31257395  0.84407800  0.26066660
   0.17230249  0.61118331  0.49562403
   0.37378759  0.62380359  0.86657489
   0.05783595  0.86443221  0.60628206
   0.33943393  0.99054168  0.68034516
   0.62478778  0.12088612  1.00809080
   0.83424463  0.13488855  0.34717448
   0.62737562  0.39693966  0.11406932
   0.90134238  0.30795668  0.16324357
   0.61361090  0.18849276  0.49733374
   0.89983304  0.09917159  0.88706475
   0.62148896  0.45839187  0.62535597
   0.77375273  0.36285854  0.81163239
   0.60173308  0.65927851 -0.00140947
   0.90605814  0.61762447  0.38604035
   0.55358266  0.88912764  0.13389316
   0.81555286  0.84590239  0.24176304
   0.66150711  0.69130798  0.48214529
   0.86197718  0.63003226  0.90186993
   0.62915611  0.92794531  0.62704348
   0.83023272  0.87233210  0.76973145
   0.06869922  0.07272755  0.17445303
   0.35192807  0.17901737  0.28710076
   0.15878428  0.34953143  0.02251343
   0.38896200  0.43023632  0.35006523
   0.56174447  0.32518142  0.20775012
   0.31878278  0.40572828  0.17298652
   0.21035199  0.13579415  0.44773396
  -0.04711509  0.19441328  0.41538338
   0.01366763 -0.03109580  0.51213835
   0.46331197  0.22323098  0.77753111
   0.04305805  0.22776336  0.58621236
   0.33548607  0.46271550  0.83161711
   0.48280512  0.45798637  0.68142070
   0.25179582  0.31099017  0.68953628
   0.27687858  0.17674119 -0.10212882
   0.03882634  0.13680079  0.94297297
   0.15082782  0.58538127  0.09908989
   0.36311918  0.69248300  0.28658101
   0.12295370  0.85442823  0.03407189
   0.35434558  0.94831743  0.34928123
   0.39277586  0.90877976  0.17143259
   0.15400369  0.83342608  0.23498627
   0.33131422  0.64993666  0.46076081
   0.06939916  0.61181556  0.39961437
   0.18982010  0.45997188  0.53757018
   0.32504548  0.68171590  0.76394570
   0.10957376  0.72606489  0.56279929
   0.37219430  0.98623954  0.78982048
   0.46199522  0.90930230  0.62401628
   0.18762504  0.93057878  0.65922251
   0.27515575  0.67938843 -0.04519910
   0.01641018  0.65268213  0.93476504
   0.59881743  0.04573475  0.11034100
   0.84927089  0.21133627  0.24535722
   0.61541889  0.27119026  0.03672284
   0.82720918  0.46149010  0.39383876
   0.04429950  0.38704090  0.19431951
   0.78565928  0.42985501  0.14184246
   0.69084717  0.17650112  0.39799360
   0.46133710  0.16208449  0.46272293
   0.66022448  0.07177413  0.57285547
   0.84380825  0.20211582  0.81548463
   0.62692744  0.34735916  0.54014126
   0.85018045  0.46682906  0.87588963
   1.03373842  0.47555356  0.69364736
   0.73824653  0.41284360  0.70506823
   0.76366551  0.07753833  0.95729816
   0.51380903  0.05616851  0.93977582
   0.56569861  0.53366903  0.06766959
   0.86563572  0.70367267  0.28785887
   0.53448324  0.79777065  0.03683964
   0.83291938  0.96428175  0.33182446
   0.90045985  0.87786081  0.14671936
   0.65424650  0.83688975  0.21704226
   0.82009251  0.70543952  0.47283195
   0.58451099  0.60552275  0.39885991
   0.64532296  0.60404909  0.57838870
   0.81399025  0.72162961  0.81206705
   0.57366075  0.85663072  0.46802184
   0.93707494  0.94783842  0.84296330
   0.93212945  0.83740339  0.67624731
   0.69600899  0.95527764  0.73925320
   0.76534599  0.67601719  0.99002657
   0.53405894  0.64098188  0.89573266
   0.70914469  0.80986232  0.59864381
   0.46619686  0.83067348  0.47031226
   0.91751791  0.25214927  0.06327664
   0.89177056  0.38910681  0.41982035
   0.33333437  0.12638464  0.64137581
   0.38292606  0.78603271  0.75707798
   0.16285464  1.09080741  0.20585139
   0.23170149  1.10344201  0.06776544
   0.64440100  0.37412488  0.85749646
   0.95294707  0.51833497  0.67378426
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903776    0.026141   -0.001629
    -0.000000    9.815430   -0.090185
    -0.000000    0.000000   14.003227
   Si   O    H 
    32    64    10
Direct configuration=  2609
   0.18348154  0.18598457 -0.01284746
   0.34761909  0.09729052  0.39005058
   0.16451217  0.43366886  0.12526540
   0.41033931  0.33483697  0.25579984
   0.06339746  0.12869034  0.49133015
   0.41930899  0.10952440  0.85385316
   0.12143937  0.36646063  0.62749526
   0.38279552  0.36532225  0.74744283
   0.13596786  0.69224866  0.00681630
   0.41763150  0.59362671  0.37091688
   0.06549810  0.90267977  0.14431060
   0.31352945  0.84505835  0.26148961
   0.17169620  0.60916954  0.49612337
   0.37426623  0.62535411  0.86746692
   0.05949750  0.86246735  0.60620547
   0.33981459  0.99155760  0.68066044
   0.62493849  0.12091921  1.00780901
   0.83366912  0.13486188  0.34723329
   0.62631762  0.39665356  0.11459596
   0.90106610  0.30798824  0.16257585
   0.61267107  0.18726386  0.49782172
   0.89925901  0.10000925  0.88725806
   0.62122876  0.45908926  0.62540762
   0.77395150  0.36226887  0.81136963
   0.60068601  0.65830535 -0.00280560
   0.90533191  0.61707859  0.38594664
   0.55423144  0.88918731  0.13407894
   0.81599706  0.84491653  0.24202260
   0.66091844  0.69126824  0.48154764
   0.86047174  0.62899864  0.90170864
   0.62886015  0.93040653  0.62692579
   0.83001588  0.87268592  0.77010986
   0.06784382  0.07071096  0.17567089
   0.35142335  0.17964171  0.28799916
   0.15905530  0.35032442  0.02020929
   0.39001187  0.42928090  0.35040901
   0.56284714  0.32437925  0.20727129
   0.32051740  0.40561490  0.17255046
   0.20861407  0.13567389  0.44782271
  -0.04928710  0.19413508  0.41483973
   0.01548435 -0.03073366  0.51167180
   0.46452878  0.22289479  0.77863224
   0.04346361  0.22771214  0.58714521
   0.33573281  0.46227602  0.83031462
   0.48095912  0.45812966  0.68171323
   0.25094838  0.31169024  0.68846200
   0.27437160  0.17743328 -0.10282233
   0.03979478  0.13673773  0.94276984
   0.15016950  0.58525722  0.09972394
   0.36271236  0.69384018  0.28594370
   0.12167725  0.85461233  0.03414901
   0.35545192  0.94932878  0.34946877
   0.39111151  0.90811654  0.17144684
   0.15379938  0.83344501  0.23384650
   0.32947178  0.65129365  0.46101354
   0.07012447  0.61117679  0.40020431
   0.18942413  0.45944810  0.53588545
   0.32411609  0.68056941  0.76427981
   0.11088418  0.72611269  0.56350586
   0.37296649  0.98584822  0.78898882
   0.46202769  0.91066157  0.62405956
   0.18684879  0.93004090  0.65986805
   0.27467056  0.67895148 -0.04528794
   0.01549973  0.65193495  0.93471537
   0.59843286  0.04612946  0.11038831
   0.84932805  0.21030205  0.24659258
   0.61502543  0.27129924  0.03717596
   0.82744178  0.46111929  0.39382118
   0.04341038  0.38521097  0.19553303
   0.78485044  0.43055963  0.14184513
   0.69224514  0.17605279  0.39693633
   0.46154470  0.16164151  0.46121761
   0.66006342  0.07128743  0.57251888
   0.84212996  0.20262559  0.81650024
   0.62788572  0.34760501  0.54032292
   0.85152782  0.46744045  0.87546010
   1.03229016  0.47630827  0.69435842
   0.73918116  0.41229739  0.70649418
   0.76559103  0.07772637  0.95743351
   0.51195797  0.05514775  0.93939014
   0.56516236  0.53289729  0.06639714
   0.86551936  0.70331529  0.28750953
   0.53253458  0.79853718  0.03643887
   0.83117922  0.96527632  0.33237412
   0.90022320  0.87651710  0.14714424
   0.65422419  0.83729429  0.21682356
   0.82112413  0.70574917  0.47271904
   0.58489596  0.60432652  0.39977150
   0.64551236  0.60512831  0.57822614
   0.81430298  0.72359505  0.81187616
   0.57474644  0.85340400  0.46888743
   0.93721789  0.94646447  0.84230103
   0.93293207  0.83576802  0.67598058
   0.69449766  0.95622223  0.73932334
   0.76380954  0.67544606  0.99030370
   0.53493157  0.64195968  0.89557747
   0.71289180  0.81063661  0.59476662
   0.46959487  0.83791526  0.47040068
   0.92058304  0.25020328  0.06441975
   0.89210936  0.38224278  0.42363618
   0.33425103  0.12983538  0.64428535
   0.38598339  0.80509633  0.75775848
   0.16126774  1.09272895  0.20916572
   0.22995052  1.10575022  0.06516075
   0.64846924  0.38233881  0.85100409
   0.95762903  0.51376751  0.66790801
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901806    0.029144   -0.000777
    -0.000000    9.813298   -0.089850
    -0.000000    0.000000   14.002478
   Si   O    H 
    32    64    10
Direct configuration=  2610
   0.18301154  0.18779969 -0.01339135
   0.34784244  0.09778842  0.38946968
   0.16595609  0.43252945  0.12503412
   0.41008787  0.33485100  0.25594286
   0.06147670  0.12904943  0.49057473
   0.41906086  0.11117569  0.85338844
   0.12185779  0.36545562  0.62767071
   0.38245250  0.36349668  0.74772038
   0.13470690  0.69246189  0.00687231
   0.41718349  0.59286555  0.37045690
   0.06436351  0.90366180  0.14397172
   0.31420906  0.84606961  0.26229021
   0.17159135  0.60793824  0.49658312
   0.37482473  0.62641648  0.86829836
   0.06097748  0.86033324  0.60661185
   0.33988313  0.99219491  0.68088935
   0.62487939  0.12045318  1.00790207
   0.83322199  0.13399818  0.34746269
   0.62652096  0.39640360  0.11502214
   0.90036266  0.30815498  0.16182478
   0.61198063  0.18610136  0.49841682
   0.89847865  0.10030449  0.88816187
   0.62116831  0.45987677  0.62524292
   0.77407905  0.36123648  0.81094456
   0.60019754  0.65749361 -0.00377688
   0.90435805  0.61705724  0.38592751
   0.55390724  0.89002645  0.13413220
   0.81637890  0.84451903  0.24243434
   0.66034684  0.69222707  0.48117897
   0.85878001  0.62832504  0.90170653
   0.62860044  0.93284341  0.62665058
   0.83081195  0.87272328  0.77046541
   0.06794136  0.06860269  0.17691256
   0.35034840  0.18026330  0.28894832
   0.15930197  0.35072653  0.01754760
   0.39115044  0.42868301  0.35089676
   0.56376403  0.32394616  0.20745645
   0.32134828  0.40549858  0.17234924
   0.20743012  0.13552101  0.44761713
  -0.05068060  0.19446229  0.41454202
   0.01715406 -0.03002895  0.51113201
   0.46632051  0.22274959  0.77962955
   0.04457023  0.22788815  0.58770101
   0.33535858  0.46209243  0.82950400
   0.47891911  0.45896431  0.68190712
   0.25028072  0.31198059  0.68726860
   0.27250032  0.17747368 -0.10382278
   0.03979038  0.13691451  0.94213483
   0.14999770  0.58623295  0.10039445
   0.36272083  0.69512614  0.28555999
   0.12054158  0.85492682  0.03476593
   0.35590349  0.95037196  0.34976152
   0.39028323  0.90786585  0.17148816
   0.15351385  0.83360714  0.23260528
   0.32698995  0.65223802  0.46149974
   0.07102509  0.61153598  0.40050638
   0.18876642  0.45875710  0.53447889
   0.32370077  0.68032158  0.76461672
   0.11205746  0.72555099  0.56477563
   0.37309106  0.98487890  0.78898241
   0.46154668  0.91162761  0.62452887
   0.18752496  0.92963936  0.66103054
   0.27440971  0.67949338 -0.04579283
   0.01510780  0.65137575  0.93403865
   0.59824178  0.04627888  0.11069826
   0.84962863  0.20831256  0.24757426
   0.61445533  0.27252536  0.03803062
   0.82881121  0.46100503  0.39424983
   0.04226932  0.38340031  0.19657143
   0.78473714  0.43146949  0.14190392
   0.69436159  0.17546799  0.39614259
   0.46109100  0.16144842  0.46005517
   0.65964601  0.07064576  0.57236280
   0.84053200  0.20393653  0.81645362
   0.62855705  0.34763941  0.54039458
   0.85347745  0.46897074  0.87551366
   1.03286370  0.47647730  0.69475859
   0.74028622  0.41126720  0.70713749
   0.76740183  0.07821827  0.95755743
   0.50947947  0.05396543  0.93922519
   0.56472161  0.53260774  0.06533588
   0.86468451  0.70231889  0.28750584
   0.53132991  0.79956502  0.03587382
   0.82922660  0.96620194  0.33281883
   0.90073859  0.87468445  0.14692768
   0.65437963  0.83796736  0.21665713
   0.82220990  0.70622063  0.47261764
   0.58510970  0.60289817  0.40053385
   0.64609839  0.60600886  0.57830056
   0.81477573  0.72614057  0.81215488
   0.57517301  0.84983602  0.46913071
   0.93736506  0.94644771  0.84176765
   0.93388281  0.83377457  0.67563545
   0.69361685  0.95718499  0.73889258
   0.76214189  0.67412803  0.99044193
   0.53518012  0.64234061  0.89519047
   0.71578541  0.81690193  0.59037078
   0.48511929  0.84935230  0.46913468
   0.92498768  0.24636447  0.06853973
   0.88740704  0.38472762  0.42545602
   0.33442244  0.13406218  0.64767751
   0.38162043  0.80442241  0.76011355
   0.15025577  1.09390507  0.20939502
   0.22998321  1.10739047  0.06068621
   0.64302052  0.38844488  0.85002759
   0.94397844  0.51479203  0.66020745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900001    0.032056    0.000569
    -0.000000    9.811070   -0.090038
    -0.000000    0.000000   14.001355
   Si   O    H 
    32    64    10
Direct configuration=  2611
   0.18216500  0.18928110 -0.01403549
   0.34804228  0.09841736  0.38888522
   0.16745966  0.43118440  0.12503644
   0.40972402  0.33459113  0.25613541
   0.05961571  0.12944845  0.48989794
   0.41789215  0.11259086  0.85311774
   0.12215398  0.36507107  0.62762158
   0.38232842  0.36137646  0.74744546
   0.13410636  0.69245808  0.00703635
   0.41667797  0.59237605  0.37043392
   0.06321551  0.90397081  0.14333269
   0.31498367  0.84683449  0.26300911
   0.17140839  0.60715316  0.49632611
   0.37502526  0.62690330  0.86906918
   0.06229313  0.85903230  0.60676123
   0.33890007  0.99294381  0.68118564
   0.62473607  0.11929426  1.00846790
   0.83302001  0.13325938  0.34730841
   0.62667067  0.39608387  0.11508299
   0.90024289  0.30859187  0.16082784
   0.61123504  0.18523525  0.49882282
   0.89806268  0.10034474  0.88963838
   0.62102041  0.46003776  0.62492845
   0.77379951  0.36040273  0.81091568
   0.59954630  0.65749937 -0.00418493
   0.90338872  0.61698266  0.38595720
   0.55344927  0.89055267  0.13419068
   0.81576421  0.84451102  0.24321488
   0.65972802  0.69329903  0.48102571
   0.85760967  0.62769039  0.90164626
   0.62861883  0.93498780  0.62645595
   0.83244088  0.87342825  0.77017139
   0.06843864  0.06610720  0.17765663
   0.34987761  0.18177875  0.29018439
   0.15995465  0.35120407  0.01556482
   0.39245893  0.42922848  0.35167840
   0.56458546  0.32310665  0.20788356
   0.32162548  0.40498548  0.17189362
   0.20755890  0.13580515  0.44683144
  -0.05186641  0.19458630  0.41453779
   0.01867500 -0.03032101  0.51152584
   0.46884667  0.22319584  0.78045190
   0.04597638  0.22809753  0.58867845
   0.33526467  0.46177330  0.82948054
   0.47735417  0.45962808  0.68182525
   0.24909183  0.31225222  0.68595759
   0.27192237  0.17640385 -0.10519170
   0.03932998  0.13673466  0.94152104
   0.14946935  0.58757972  0.10107268
   0.36283231  0.69631153  0.28524569
   0.11975264  0.85484139  0.03582615
   0.35671279  0.95077406  0.34990695
   0.39082139  0.90789105  0.17063428
   0.15301834  0.83418742  0.23095448
   0.32396685  0.65231259  0.46152806
   0.07150078  0.61162263  0.40112369
   0.18728508  0.45781893  0.53296219
   0.32433832  0.68256631  0.76499147
   0.11400051  0.72485332  0.56586290
   0.37387204  0.98309027  0.78864859
   0.46089114  0.91198563  0.62508205
   0.18847720  0.92900076  0.66183850
   0.27507280  0.68053725 -0.04654774
   0.01446952  0.64974840  0.93285336
   0.59829490  0.04591360  0.11108365
   0.84938633  0.20735202  0.24786617
   0.61412957  0.27470605  0.03922702
   0.83007680  0.46086547  0.39450328
   0.04112046  0.38245838  0.19675795
   0.78390538  0.43184726  0.14191734
   0.69567937  0.17547252  0.39572083
   0.45996818  0.16162728  0.45900419
   0.65943520  0.07044089  0.57216112
   0.83941444  0.20582419  0.81593128
   0.63007617  0.34712380  0.54038302
   0.85549248  0.47090787  0.87600688
   1.03375965  0.47655067  0.69438020
   0.74150242  0.40991994  0.70760032
   0.76986921  0.07882838  0.95780185
   0.50712782  0.05271486  0.93881074
   0.56502926  0.53172350  0.06451935
   0.86330157  0.70143616  0.28725239
   0.52943868  0.80004759  0.03569970
   0.82751644  0.96642382  0.33312103
   0.90173220  0.87263833  0.14657455
   0.65474053  0.83929555  0.21601581
   0.82341058  0.70730230  0.47172763
   0.58522134  0.60132391  0.40015372
   0.64611796  0.60642995  0.57880120
   0.81540589  0.72738421  0.81283547
   0.57696919  0.84649875  0.46960367
   0.93750322  0.94665362  0.84145917
   0.93484878  0.83161017  0.67547253
   0.69365377  0.95737576  0.73859122
   0.76053358  0.67247411  0.99064165
   0.53463901  0.64273242  0.89480573
   0.71936472  0.82815605  0.58919018
   0.47548870  0.85835291  0.46891921
   0.92896037  0.24304469  0.07287415
   0.87905163  0.39115650  0.42261800
   0.33598240  0.13572816  0.64919519
   0.37097568  0.79019334  0.76073333
   0.13959451  1.09582282  0.20836046
   0.23586189  1.10438956  0.05774198
   0.63361834  0.39358061  0.85244863
   0.94149016  0.51216371  0.66087421
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898188    0.035020    0.001622
    -0.000000    9.808808   -0.090046
    -0.000000    0.000000   13.999946
   Si   O    H 
    32    64    10
Direct configuration=  2612
   0.18037348  0.19038386 -0.01458715
   0.34841667  0.09975408  0.38846003
   0.16838694  0.42998373  0.12477763
   0.40919882  0.33369594  0.25633036
   0.05825673  0.12918930  0.48902432
   0.41673192  0.11386034  0.85342187
   0.12257722  0.36466008  0.62728621
   0.38236143  0.35972746  0.74661242
   0.13318172  0.69139974  0.00714033
   0.41614464  0.59227842  0.37092037
   0.06222396  0.90445334  0.14292976
   0.31578415  0.84738915  0.26369162
   0.17086512  0.60602349  0.49592163
   0.37442660  0.62661666  0.86948675
   0.06293148  0.85874469  0.60715024
   0.33761890  0.99378802  0.68135296
   0.62478221  0.11831864  1.00888680
   0.83306498  0.13190511  0.34687225
   0.62722629  0.39515098  0.11531053
   0.90014786  0.30946047  0.15996577
   0.61018154  0.18469141  0.49926569
   0.89806871  0.09961560  0.89111891
   0.62105997  0.45947335  0.62473448
   0.77329361  0.36008662  0.81070561
   0.59895486  0.65740300 -0.00408373
   0.90286916  0.61675117  0.38574944
   0.55284280  0.89115044  0.13419127
   0.81486522  0.84486056  0.24403962
   0.65989339  0.69439895  0.48070949
   0.85696068  0.62707208  0.90149374
   0.62838072  0.93710231  0.62644610
   0.83429293  0.87463508  0.76973717
   0.06764175  0.06325982  0.17730309
   0.34982399  0.18433652  0.29083627
   0.15974904  0.35254378  0.01429060
   0.39449851  0.43014170  0.35250154
   0.56392983  0.32256635  0.20844244
   0.32121000  0.40472974  0.17118351
   0.20773090  0.13553325  0.44548745
  -0.05208305  0.19504911  0.41508500
   0.02008684 -0.03053200  0.51195153
   0.47191578  0.22426541  0.78125753
   0.04713142  0.22859415  0.58956782
   0.33447428  0.46146256  0.82973350
   0.47665300  0.46000071  0.68207194
   0.24797906  0.31245844  0.68505767
   0.27175285  0.17587778 -0.10643526
   0.03782064  0.13601281  0.94116055
   0.14899458  0.58884145  0.10114464
   0.36407696  0.69714627  0.28520217
   0.11891999  0.85440672  0.03759598
   0.35729824  0.95046082  0.35035966
   0.39111122  0.90940643  0.17017338
   0.15217967  0.83598507  0.22945531
   0.32072333  0.65246341  0.46173451
   0.07155207  0.61210103  0.40221128
   0.18583216  0.45623359  0.53199530
   0.32486298  0.68574391  0.76520905
   0.11620402  0.72409682  0.56672487
   0.37473353  0.98225240  0.78834860
   0.46052394  0.91265001  0.62523600
   0.18955524  0.92828731  0.66251464
   0.27597879  0.68091637 -0.04751510
   0.01446833  0.64899686  0.93196050
   0.59848295  0.04514184  0.11054953
   0.84896397  0.20688941  0.24728300
   0.61396717  0.27698545  0.03976873
   0.83141596  0.46146204  0.39401125
   0.03977515  0.38221275  0.19694029
   0.78397675  0.43196065  0.14227555
   0.69564305  0.17591568  0.39521289
   0.45936066  0.16167918  0.45856518
   0.65878922  0.07079555  0.57202861
   0.83792982  0.20717354  0.81543814
   0.63194242  0.34634208  0.54000751
   0.85750511  0.47118614  0.87679564
   1.03339210  0.47583978  0.69390635
   0.74210310  0.40922230  0.70710643
   0.77170344  0.08052203  0.95817523
   0.50542220  0.05203224  0.93831411
   0.56554131  0.53177013  0.06350353
   0.86228210  0.70034747  0.28753469
   0.52778945  0.80000205  0.03620097
   0.82683433  0.96633977  0.33303604
   0.90223666  0.87006180  0.14594868
   0.65501939  0.83974508  0.21526300
   0.82545107  0.70835119  0.47053053
   0.58507505  0.59937308  0.39951115
   0.64612194  0.60710929  0.57918294
   0.81553065  0.72861265  0.81381470
   0.57800311  0.84304411  0.47015887
   0.93727801  0.94687354  0.84165636
   0.93568613  0.82977502  0.67528650
   0.69445498  0.95670774  0.73793680
   0.75890626  0.67119178  0.99128523
   0.53329731  0.64312195  0.89400226
   0.72755363  0.83772756  0.58987965
   0.47320690  0.86355621  0.46754666
   0.93040235  0.23993327  0.07428927
   0.88122857  0.38679891  0.42222278
   0.33738648  0.13479285  0.64901674
   0.35650372  0.76577858  0.76101969
   0.15119083  1.10649632  0.21738854
   0.24416454  1.10220119  0.05559521
   0.62734551  0.39118507  0.85582146
   0.94895683  0.50654394  0.66809529
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896336    0.037417    0.002734
    -0.000000    9.806820   -0.089984
    -0.000000    0.000000   13.998265
   Si   O    H 
    32    64    10
Direct configuration=  2613
   0.17898408  0.19191087 -0.01509303
   0.34770900  0.10062085  0.38789204
   0.16905271  0.42901669  0.12445652
   0.40880395  0.33361308  0.25651215
   0.05717315  0.12997154  0.48862327
   0.41526147  0.11453054  0.85422971
   0.12289570  0.36508613  0.62749282
   0.38260822  0.35751539  0.74560598
   0.13279051  0.69059912  0.00680684
   0.41542271  0.59218837  0.37183144
   0.06138087  0.90517952  0.14313923
   0.31583631  0.84764456  0.26402592
   0.17098876  0.60552404  0.49563291
   0.37379014  0.62606816  0.86920490
   0.06359736  0.85872744  0.60727365
   0.33664413  0.99456360  0.68075427
   0.62506993  0.11726479  1.00951164
   0.83305633  0.13084721  0.34626980
   0.62772448  0.39439752  0.11546200
   0.90004229  0.31038240  0.15962937
   0.61008974  0.18454556  0.49930860
   0.89743596  0.09845731  0.89236314
   0.62240867  0.45894751  0.62411805
   0.77218963  0.35979372  0.81074809
   0.59943409  0.65751440 -0.00381433
   0.90262270  0.61631020  0.38570405
   0.55164316  0.89135661  0.13446783
   0.81402052  0.84439939  0.24440423
   0.66047450  0.69561397  0.48027817
   0.85720082  0.62635403  0.90108901
   0.62887610  0.93901964  0.62662291
   0.83609100  0.87536854  0.76878863
   0.06719878  0.06120115  0.17683943
   0.35004136  0.18723150  0.29120402
   0.15939387  0.35275748  0.01387410
   0.39721328  0.43073846  0.35335016
   0.56303899  0.32202904  0.20906536
   0.32050887  0.40469193  0.17060529
   0.20750452  0.13522492  0.44418032
  -0.05246585  0.19485826  0.41617702
   0.02078947 -0.03115033  0.51213550
   0.47439589  0.22509722  0.78191614
   0.04829930  0.22785664  0.58977374
   0.33356672  0.46134897  0.82984153
   0.47706437  0.46001292  0.68150854
   0.24818334  0.31217950  0.68458700
   0.27284682  0.17563481 -0.10742761
   0.03629581  0.13457616  0.94043802
   0.14834734  0.59008285  0.10157790
   0.36504201  0.69768456  0.28565857
   0.11830499  0.85480846  0.03978912
   0.35714122  0.94971506  0.35062667
   0.39142045  0.90973926  0.16975707
   0.15173489  0.83758292  0.22831895
   0.31866092  0.65244215  0.46156811
   0.07076342  0.61147962  0.40263385
   0.18437674  0.45397989  0.53113946
   0.32549305  0.68668806  0.76559469
   0.11821273  0.72327826  0.56718004
   0.37603128  0.98169583  0.78828733
   0.46073132  0.91329744  0.62538386
   0.19023574  0.92692163  0.66268271
   0.27790462  0.68168452 -0.04888922
   0.01361483  0.64921789  0.93147677
   0.59875424  0.04473331  0.11022948
   0.84863171  0.20656405  0.24658003
   0.61360502  0.27950737  0.03953496
   0.83323332  0.46256847  0.39304273
   0.03870236  0.38191098  0.19671348
   0.78440552  0.43125847  0.14275324
   0.69467434  0.17669941  0.39556222
   0.45888532  0.16160317  0.45872029
   0.65769109  0.07130613  0.57208700
   0.83615439  0.20907953  0.81446619
   0.63399657  0.34557100  0.53900331
   0.86000038  0.47072645  0.87713263
   1.03149895  0.47516432  0.69319700
   0.74279099  0.40916767  0.70645621
   0.77252197  0.08198554  0.95900398
   0.50422944  0.05170027  0.93825728
   0.56573266  0.53176438  0.06229162
   0.86171544  0.69887123  0.28778365
   0.52607136  0.79983133  0.03682757
   0.82628530  0.96517092  0.33315605
   0.90269092  0.86640949  0.14575278
   0.65559028  0.84074284  0.21407148
   0.82759479  0.70912146  0.46881919
   0.58330453  0.59736310  0.39948955
   0.64629416  0.60835211  0.57967106
   0.81503176  0.72977067  0.81442379
   0.57894493  0.83945010  0.47090342
   0.93649007  0.94715598  0.84216179
   0.93618712  0.82847607  0.67534352
   0.69492427  0.95633511  0.73790923
   0.75743511  0.67034347  0.99179029
   0.53222144  0.64344334  0.89348868
   0.73147814  0.84203778  0.59224246
   0.47995038  0.86267173  0.46359090
   0.92826394  0.23662178  0.07252476
   0.88560479  0.38410906  0.42225281
   0.33761300  0.13477426  0.64690589
   0.35184471  0.77598552  0.75834572
   0.14744292  1.11041724  0.22062754
   0.25247383  1.10085240  0.05633978
   0.62805063  0.38309435  0.86026506
   0.95043218  0.50071398  0.67353680
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894523    0.040034    0.003608
    -0.000000    9.805022   -0.090182
    -0.000000    0.000000   13.996861
   Si   O    H 
    32    64    10
Direct configuration=  2614
   0.17789610  0.19368314 -0.01567911
   0.34673421  0.10124218  0.38742122
   0.16930295  0.42835930  0.12410456
   0.40863171  0.33356392  0.25640480
   0.05575294  0.13105605  0.48824288
   0.41375451  0.11481935  0.85526669
   0.12268216  0.36619845  0.62730086
   0.38235149  0.35552657  0.74451840
   0.13248173  0.69022955  0.00688475
   0.41470833  0.59258436  0.37257596
   0.06009452  0.90561560  0.14348517
   0.31498707  0.84852314  0.26413474
   0.17099779  0.60579040  0.49535366
   0.37262700  0.62496263  0.86826964
   0.06362143  0.85922060  0.60738468
   0.33592207  0.99539890  0.68013403
   0.62549716  0.11593802  1.00974728
   0.83246616  0.13001946  0.34524342
   0.62867511  0.39387461  0.11530890
   0.89996956  0.31134611  0.15964007
   0.61026779  0.18524278  0.49906402
   0.89626576  0.09776512  0.89272744
   0.62398176  0.45829412  0.62349469
   0.77036112  0.35979383  0.81104982
   0.59956799  0.65801901 -0.00345348
   0.90252262  0.61525100  0.38573033
   0.54982163  0.89080379  0.13458596
   0.81271181  0.84408519  0.24513599
   0.66095634  0.69588951  0.48009135
   0.85780468  0.62622354  0.90079231
   0.62864005  0.94036361  0.62698758
   0.83732874  0.87528188  0.76736989
   0.06779186  0.06024150  0.17625690
   0.35016451  0.19035012  0.29071111
   0.15991705  0.35283895  0.01389689
   0.39979589  0.43170425  0.35373857
   0.56102147  0.32106727  0.20995619
   0.31919536  0.40407192  0.17015129
   0.20752937  0.13499044  0.44266455
  -0.05161929  0.19432373  0.41732636
   0.02114944 -0.03144199  0.51300548
   0.47705327  0.22672674  0.78260520
   0.04920423  0.22810876  0.58992090
   0.33346257  0.46129208  0.83013309
   0.47697955  0.45936434  0.68148890
   0.24909189  0.31115318  0.68435938
   0.27397809  0.17521930 -0.10863607
   0.03447789  0.13357062  0.93985867
   0.14735385  0.59200160  0.10170131
   0.36633584  0.69770039  0.28621089
   0.11765613  0.85464507  0.04240085
   0.35736023  0.94869064  0.35064427
   0.39133489  0.90931138  0.16951129
   0.15208087  0.83923827  0.22709095
   0.31685945  0.65141885  0.46138167
   0.07005270  0.61064828  0.40297172
   0.18270577  0.45166940  0.53119260
   0.32590764  0.68677194  0.76607342
   0.12020313  0.72157777  0.56716987
   0.37846598  0.98165413  0.78900432
   0.46142665  0.91348388  0.62625193
   0.19035015  0.92639036  0.66339473
   0.27985114  0.68300003 -0.04972914
   0.01309840  0.65005936  0.93109305
   0.59880910  0.04499286  0.10996059
   0.84856801  0.20594296  0.24506925
   0.61350649  0.28090939  0.03899828
   0.83561556  0.46299394  0.39192058
   0.03837672  0.38207700  0.19639822
   0.78496398  0.43055014  0.14353737
   0.69275187  0.17784961  0.39602773
   0.45760312  0.16184889  0.45969102
   0.65678895  0.07292882  0.57206186
   0.83531552  0.21165686  0.81321047
   0.63570022  0.34429665  0.53804206
   0.86248189  0.46837240  0.87693099
   1.03172442  0.47462482  0.69317037
   0.74387575  0.40889788  0.70543389
   0.77357555  0.08307456  0.96009307
   0.50443145  0.05218705  0.93824614
   0.56603593  0.53202432  0.06125002
   0.86066695  0.69728161  0.28859405
   0.52619278  0.79934454  0.03806521
   0.82512259  0.96352705  0.33310674
   0.90390809  0.86233710  0.14574760
   0.65646474  0.84106409  0.21303227
   0.82871060  0.70976352  0.46776583
   0.58146094  0.59567170  0.39919824
   0.64652129  0.60986430  0.58010050
   0.81402677  0.72991298  0.81508386
   0.57942110  0.83672731  0.47131309
   0.93530371  0.94752096  0.84284860
   0.93645396  0.82770635  0.67480031
   0.69582208  0.95628835  0.73760510
   0.75638031  0.67000043  0.99249392
   0.53119293  0.64376592  0.89286527
   0.73345469  0.84171100  0.59504757
   0.49124492  0.85495760  0.46020448
   0.92422552  0.23394859  0.06835072
   0.88593845  0.38428039  0.42020374
   0.33859582  0.13258942  0.64323415
   0.34600788  0.79766354  0.75372715
   0.13392174  1.10257333  0.21726158
   0.25843610  1.10527421  0.05813094
   0.63211430  0.37582326  0.86072951
   0.93153253  0.50423997  0.67254604
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893133    0.042472    0.003884
    -0.000000    9.803088   -0.090364
    -0.000000    0.000000   13.995247
   Si   O    H 
    32    64    10
Direct configuration=  2615
   0.17695909  0.19523760 -0.01619089
   0.34594871  0.10131123  0.38667218
   0.16882480  0.42853005  0.12399200
   0.40879685  0.33385391  0.25603614
   0.05410610  0.13143999  0.48824193
   0.41251709  0.11461156  0.85597245
   0.12250105  0.36769671  0.62707849
   0.38216937  0.35401429  0.74318153
   0.13164606  0.68976462  0.00735366
   0.41497571  0.59366853  0.37317837
   0.05970880  0.90517633  0.14362791
   0.31380960  0.84966205  0.26353543
   0.17132664  0.60658486  0.49514418
   0.37144970  0.62353587  0.86719792
   0.06387963  0.85956547  0.60724847
   0.33511125  0.99675842  0.67927251
   0.62607232  0.11523455  1.00990828
   0.83193039  0.12946582  0.34438457
   0.62894380  0.39450625  0.11459191
   0.89994089  0.31167009  0.15998738
   0.61060738  0.18600030  0.49859680
   0.89594167  0.09674388  0.89303587
   0.62554275  0.45774845  0.62241488
   0.76827204  0.35996123  0.81163944
   0.59985912  0.65885640 -0.00291243
   0.90189762  0.61453849  0.38563379
   0.54744820  0.89012660  0.13488221
   0.81170354  0.84405024  0.24570485
   0.66126215  0.69609138  0.48054022
   0.85859819  0.62608099  0.90072287
   0.62835915  0.94150526  0.62763757
   0.83881893  0.87517891  0.76580536
   0.06882738  0.06092967  0.17613033
   0.35059949  0.19236998  0.29029186
   0.16040970  0.35280621  0.01397630
   0.40168047  0.43182697  0.35337401
   0.55832462  0.32077352  0.21057562
   0.31707470  0.40369039  0.16961592
   0.20693059  0.13484951  0.44181076
  -0.05073863  0.19319474  0.41823569
   0.02173580 -0.03164808  0.51432010
   0.47931079  0.22849317  0.78316542
   0.05002075  0.22887554  0.59000663
   0.33317379  0.46135288  0.83056499
   0.47698640  0.45933374  0.68085734
   0.25061013  0.31055572  0.68395954
   0.27470254  0.17493457 -0.11006837
   0.03303075  0.13335161  0.93967611
   0.14645006  0.59438069  0.10173084
   0.36760228  0.69728638  0.28644082
   0.11670399  0.85389500  0.04519675
   0.35852985  0.94677652  0.35031028
   0.39152753  0.90896792  0.16990154
   0.15259617  0.84026708  0.22621255
   0.31550061  0.65024600  0.46095706
   0.06952177  0.61011330  0.40269706
   0.18099293  0.44899675  0.53158124
   0.32646954  0.68815786  0.76629987
   0.12207995  0.71972201  0.56671826
   0.38132905  0.98196694  0.78985962
   0.46188946  0.91326159  0.62752513
   0.18953222  0.92565815  0.66342450
   0.28126241  0.68493243 -0.05028022
   0.01339298  0.65117886  0.93051912
   0.59958965  0.04525672  0.10943274
   0.84782287  0.20604766  0.24321500
   0.61337915  0.28116410  0.03797592
   0.83853265  0.46249973  0.39122828
   0.03905273  0.38236035  0.19574973
   0.78543234  0.42992393  0.14492286
   0.69143831  0.17858673  0.39684017
   0.45606570  0.16078806  0.46045413
   0.65615572  0.07465728  0.57179243
   0.83509363  0.21327209  0.81163461
   0.63740185  0.34243066  0.53733173
   0.86482085  0.46557835  0.87594667
   1.03163494  0.47439546  0.69305689
   0.74480088  0.40854061  0.70427799
   0.77339109  0.08265421  0.96168163
   0.50487675  0.05187337  0.93869535
   0.56667837  0.53202750  0.06122832
   0.86024726  0.69640485  0.28955103
   0.52616858  0.79837767  0.03922739
   0.82383349  0.96163796  0.33275420
   0.90468393  0.85807640  0.14591016
   0.65731749  0.84041220  0.21251277
   0.82931154  0.70946550  0.46679440
   0.57890538  0.59456612  0.39855473
   0.64708989  0.61032313  0.58023162
   0.81333130  0.72954115  0.81574804
   0.58045891  0.83384599  0.47215976
   0.93357005  0.94829003  0.84394933
   0.93665724  0.82705114  0.67482281
   0.69697658  0.95640420  0.73708102
   0.75607113  0.66909612  0.99279084
   0.52984875  0.64355560  0.89213940
   0.73432938  0.84195511  0.59701296
   0.48731951  0.84469234  0.45631572
   0.91602587  0.23246595  0.06857013
   0.88298242  0.39070501  0.41654527
   0.33901914  0.13182570  0.63956286
   0.33663960  0.79749928  0.75068571
   0.12541305  1.09186821  0.21529811
   0.26332739  1.11140655  0.05598321
   0.63829893  0.37109185  0.86031786
   0.92846849  0.50076738  0.67468514
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892156    0.045045    0.004291
    -0.000000    9.801024   -0.090491
    -0.000000    0.000000   13.993897
   Si   O    H 
    32    64    10
Direct configuration=  2616
   0.17573362  0.19713461 -0.01663304
   0.34548112  0.10116380  0.38602348
   0.16796559  0.42862713  0.12380953
   0.40931290  0.33454626  0.25554529
   0.05312750  0.13230901  0.48858699
   0.41145382  0.11447111  0.85668243
   0.12249743  0.36929190  0.62707837
   0.38277782  0.35358303  0.74231442
   0.13061018  0.68996725  0.00805834
   0.41523860  0.59527450  0.37391912
   0.05936761  0.90449334  0.14399587
   0.31265443  0.85047866  0.26281576
   0.17135482  0.60718440  0.49471341
   0.36989109  0.62199022  0.86551352
   0.06373129  0.86029087  0.60722431
   0.33511506  0.99808505  0.67856934
   0.62679738  0.11498936  1.00970593
   0.83098118  0.12921584  0.34353827
   0.62963250  0.39542827  0.11435106
   0.89981038  0.31215909  0.16002442
   0.61094059  0.18690102  0.49807058
   0.89549072  0.09546449  0.89317561
   0.62691607  0.45723135  0.62157352
   0.76650435  0.36035887  0.81199228
   0.59948090  0.65976793 -0.00225399
   0.90186965  0.61358271  0.38542897
   0.54524885  0.88979574  0.13483886
   0.81160798  0.84381686  0.24604724
   0.66189732  0.69599958  0.48077095
   0.85947833  0.62634197  0.90121340
   0.62833223  0.94210664  0.62853286
   0.84045685  0.87493179  0.76429274
   0.06887188  0.06208528  0.17469503
   0.34978244  0.19371913  0.28999359
   0.16036671  0.35309208  0.01467158
   0.40264607  0.43146649  0.35263574
   0.55541899  0.32005629  0.21135783
   0.31459849  0.40345637  0.16862255
   0.20671883  0.13430931  0.44105761
  -0.05005878  0.19167744  0.41843301
   0.02226817 -0.03204985  0.51561674
   0.48128229  0.22870196  0.78360341
   0.05093884  0.22927657  0.59025203
   0.33345327  0.46151914  0.83105380
   0.47802337  0.45908875  0.68007729
   0.25255289  0.30997532  0.68398811
   0.27555595  0.17484145 -0.11189429
   0.03151541  0.13312157  0.93984534
   0.14509725  0.59658171  0.10139241
   0.36823285  0.69692691  0.28663326
   0.11651017  0.85165425  0.04691239
   0.35980311  0.94563764  0.35035336
   0.39199266  0.90898512  0.17007700
   0.15400277  0.84092382  0.22553890
   0.31488593  0.64955594  0.46010058
   0.06901337  0.60963218  0.40272272
   0.17914550  0.44555065  0.53248976
   0.32690948  0.68969289  0.76663044
   0.12361559  0.71691409  0.56635377
   0.38406432  0.98272726  0.79028194
   0.46265451  0.91390927  0.62936530
   0.18987942  0.92480531  0.66310399
   0.28167596  0.68646114 -0.05016195
   0.01409960  0.65234588  0.93027464
   0.59987109  0.04527825  0.10904115
   0.84722245  0.20616880  0.24202043
   0.61372157  0.27971164  0.03684943
   0.84045012  0.46307715  0.39105053
   0.04041740  0.38277910  0.19484739
   0.78588070  0.42954017  0.14581829
   0.69133148  0.17896469  0.39735294
   0.45495401  0.16022210  0.46162836
   0.65610296  0.07689610  0.57147053
   0.83526117  0.21453358  0.81067296
   0.63955373  0.34052140  0.53737241
   0.86698363  0.46262180  0.87491769
   1.03087916  0.47459020  0.69308956
   0.74535998  0.40848513  0.70277334
   0.77229914  0.08346277  0.96324456
   0.50628729  0.05215725  0.93942579
   0.56667246  0.53098646  0.06172178
   0.85997861  0.69604988  0.29006644
   0.52593153  0.79697728  0.04004879
   0.82314396  0.95963915  0.33274996
   0.90440454  0.85260405  0.14606574
   0.65787435  0.83948212  0.21196952
   0.82928999  0.70950016  0.46599446
   0.57638691  0.59393687  0.39785997
   0.64750902  0.61060769  0.58041241
   0.81267372  0.72901867  0.81657299
   0.58072372  0.83200032  0.47321597
   0.93219686  0.94938535  0.84539224
   0.93697847  0.82720604  0.67521380
   0.69803787  0.95660867  0.73710202
   0.75677987  0.66832726  0.99233971
   0.52950094  0.64366621  0.89195776
   0.72969745  0.84371968  0.59926053
   0.48169898  0.83328945  0.45234645
   0.90675594  0.23247826  0.07125126
   0.88869796  0.38214222  0.41790508
   0.33841118  0.13071599  0.63609693
   0.32479260  0.77917823  0.75074586
   0.14762445  1.09710087  0.22769890
   0.26554206  1.11887684  0.05321270
   0.64660990  0.36823951  0.86111078
   0.93579495  0.49205337  0.67878091
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890953    0.047505    0.004729
    -0.000000    9.798436   -0.090272
    -0.000000    0.000000   13.992692
   Si   O    H 
    32    64    10
Direct configuration=  2617
   0.17476936  0.19789195 -0.01755610
   0.34488996  0.10116750  0.38603943
   0.16640972  0.42850692  0.12355986
   0.40994651  0.33543833  0.25526329
   0.05350803  0.13249964  0.48888638
   0.41112541  0.11460156  0.85680768
   0.12207527  0.37088513  0.62718898
   0.38360212  0.35311699  0.74195276
   0.12965758  0.68997522  0.00792253
   0.41627740  0.59687892  0.37457455
   0.05963357  0.90370596  0.14461471
   0.31132109  0.85119829  0.26221802
   0.17136592  0.60787384  0.49417339
   0.36832304  0.61990132  0.86400853
   0.06335242  0.86062716  0.60712419
   0.33508044  0.99861795  0.67799909
   0.62749021  0.11465147  1.00947108
   0.83044104  0.12861781  0.34292507
   0.63057611  0.39648811  0.11459823
   0.89909738  0.31248338  0.16031110
   0.61107842  0.18779979  0.49763776
   0.89495100  0.09441971  0.89320023
   0.62853149  0.45709523  0.62112312
   0.76454918  0.36105620  0.81234412
   0.59852933  0.66077167 -0.00196477
   0.90222020  0.61234938  0.38518145
   0.54369256  0.89003732  0.13524083
   0.81187811  0.84307016  0.24679939
   0.66274853  0.69515514  0.48080030
   0.86022495  0.62632454  0.90177330
   0.62856959  0.94270045  0.62957973
   0.84156033  0.87456915  0.76252947
   0.06927748  0.06420257  0.17432407
   0.34883653  0.19409404  0.28962690
   0.15992345  0.35408578  0.01573696
   0.40326742  0.43133887  0.35170791
   0.55194401  0.31872068  0.21111404
   0.31225065  0.40271693  0.16845582
   0.20573457  0.13431909  0.44041179
  -0.05000786  0.19069596  0.41844670
   0.02320511 -0.03197091  0.51687136
   0.48311408  0.22934785  0.78421678
   0.05152708  0.22971679  0.59044489
   0.33376263  0.46193374  0.83173589
   0.47979811  0.45893125  0.67830528
   0.25492766  0.30912885  0.68408327
   0.27541494  0.17565315 -0.11278227
   0.03080040  0.13417085  0.94098426
   0.14439034  0.59750928  0.10145395
   0.36806414  0.69688883  0.28690037
   0.11642079  0.84982314  0.04836262
   0.36089894  0.94481970  0.34983789
   0.39181196  0.90956306  0.17086355
   0.15657167  0.84187450  0.22518228
   0.31489131  0.64845214  0.45942584
   0.06855522  0.60856043  0.40346185
   0.17723911  0.44346604  0.53311153
   0.32698652  0.69040127  0.76732286
   0.12449921  0.71403263  0.56661442
   0.38655933  0.98276622  0.79108185
   0.46331997  0.91462364  0.63112319
   0.18953299  0.92475594  0.66247588
   0.28053841  0.68802173 -0.04946747
   0.01477372  0.65392279  0.92961976
   0.60058473  0.04541373  0.10871698
   0.84685385  0.20593414  0.24019529
   0.61327786  0.27866390  0.03534891
   0.84202773  0.46382316  0.39045934
   0.04185084  0.38326597  0.19396389
   0.78564900  0.42917027  0.14671666
   0.69176688  0.17903235  0.39848195
   0.45516955  0.15949829  0.46280711
   0.65631404  0.07994733  0.57114140
   0.83706266  0.21489463  0.80947382
   0.64183050  0.33907754  0.53758839
   0.86826416  0.46101594  0.87370708
   1.03060382  0.47419545  0.69253075
   0.74508910  0.40912737  0.70087654
   0.77019887  0.08404990  0.96510039
   0.50791631  0.05234748  0.94018129
   0.56639706  0.52911604  0.06236243
   0.85992212  0.69573710  0.29015857
   0.52611860  0.79512687  0.04103889
   0.82278077  0.95828151  0.33270329
   0.90375002  0.84815687  0.14610914
   0.65832319  0.83819407  0.21173940
   0.82860309  0.70989321  0.46545282
   0.57357470  0.59352355  0.39773136
   0.64872887  0.61016324  0.58074495
   0.81163378  0.72840439  0.81679461
   0.57991226  0.83105804  0.47479797
   0.93067678  0.95088450  0.84624665
   0.93737364  0.82689014  0.67522344
   0.69952476  0.95660324  0.73698288
   0.75706556  0.66783073  0.99226797
   0.52913709  0.64333353  0.89196257
   0.72469261  0.84765653  0.60048341
   0.48352480  0.82059554  0.44987145
   0.89573840  0.23187481  0.07366413
   0.89343878  0.37734226  0.41654103
   0.33947745  0.12907204  0.63254999
   0.31209349  0.77437420  0.74977793
   0.15529722  1.09710179  0.23062066
   0.25854221  1.12597851  0.05207417
   0.64862283  0.36581008  0.86609072
   0.94189593  0.48208968  0.68154018
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889346    0.049314    0.005697
    -0.000000    9.796230   -0.089864
    -0.000000    0.000000   13.991475
   Si   O    H 
    32    64    10
Direct configuration=  2618
   0.17370363  0.19806126 -0.01889735
   0.34440165  0.10111607  0.38626668
   0.16528662  0.42921010  0.12340009
   0.41042675  0.33663597  0.25499846
   0.05416785  0.13252844  0.48990335
   0.41071801  0.11489473  0.85686706
   0.12173936  0.37266636  0.62724098
   0.38457028  0.35284369  0.74181720
   0.12954634  0.69037124  0.00757057
   0.41738725  0.59826284  0.37476635
   0.05946833  0.90277518  0.14491926
   0.30943482  0.85184919  0.26160024
   0.17114617  0.60815759  0.49340924
   0.36666961  0.61793136  0.86290101
   0.06305285  0.86086162  0.60669084
   0.33535123  0.99866806  0.67741807
   0.62751319  0.11439221  1.00943839
   0.83023851  0.12831426  0.34234223
   0.63089152  0.39690915  0.11513446
   0.89840036  0.31276001  0.16058983
   0.61153936  0.18805026  0.49718963
   0.89376260  0.09424860  0.89262733
   0.63010286  0.45688411  0.62064948
   0.76299224  0.36153773  0.81259503
   0.59766389  0.66061685 -0.00184990
   0.90298448  0.61205118  0.38491119
   0.54192251  0.89014971  0.13546467
   0.81239946  0.84230893  0.24768837
   0.66388549  0.69424528  0.48080953
   0.86063064  0.62693807  0.90249351
   0.62846876  0.94358250  0.63056856
   0.84251550  0.87424890  0.76137622
   0.07094603  0.06685544  0.17403055
   0.34753991  0.19397013  0.28894431
   0.15976964  0.35546043  0.01702132
   0.40244663  0.43127127  0.35067122
   0.54885349  0.31778465  0.21042434
   0.30999758  0.40161071  0.16849902
   0.20438547  0.13414853  0.44003838
  -0.05092113  0.18984638  0.41785948
   0.02390344 -0.03239583  0.51757160
   0.48518004  0.22933330  0.78442799
   0.05215827  0.23014720  0.59034377
   0.33377027  0.46148039  0.83164662
   0.48155395  0.45806766  0.67627281
   0.25759221  0.30850077  0.68420248
   0.27436786  0.17706386 -0.11281198
   0.03114007  0.13625984  0.94203081
   0.14373611  0.59805205  0.10179600
   0.36788042  0.69739850  0.28699428
   0.11651416  0.84738238  0.04815019
   0.36190684  0.94444019  0.34969922
   0.39125411  0.90992030  0.17135844
   0.15870514  0.84237930  0.22565531
   0.31566553  0.64710711  0.45845395
   0.06840838  0.60716992  0.40394178
   0.17579760  0.44247575  0.53335876
   0.32731624  0.68929921  0.76786153
   0.12501425  0.71192213  0.56767039
   0.38824095  0.98252414  0.79165141
   0.46455648  0.91529343  0.63264566
   0.18994302  0.92475543  0.66229383
   0.27949472  0.68979188 -0.04852850
   0.01506279  0.65535215  0.92911972
   0.60122083  0.04492077  0.10811992
   0.84646053  0.20610975  0.23830048
   0.61240209  0.27767616  0.03384455
   0.84359325  0.46381150  0.39015296
   0.04363450  0.38391243  0.19297883
   0.78473744  0.42784985  0.14806480
   0.69190116  0.17883853  0.39909789
   0.45510500  0.15880576  0.46359686
   0.65626935  0.08218480  0.57148490
   0.83977617  0.21576237  0.80872089
   0.64388899  0.33860548  0.53810164
   0.86904340  0.46070354  0.87286277
   1.03126708  0.47332929  0.69214138
   0.74491650  0.40990282  0.69893179
   0.76889627  0.08377706  0.96720741
   0.50918725  0.05329360  0.94044239
   0.56641383  0.52678757  0.06262177
   0.86015672  0.69583177  0.29020956
   0.52836171  0.79367751  0.04200169
   0.82245859  0.95756487  0.33200916
   0.90341313  0.84424938  0.14662083
   0.65895880  0.83719517  0.21163174
   0.82684318  0.70974281  0.46471668
   0.57125348  0.59385858  0.39791972
   0.64993081  0.61007314  0.58085172
   0.81080324  0.72830172  0.81739845
   0.57884123  0.83089789  0.47517494
   0.92860966  0.95196892  0.84607535
   0.93745116  0.82693985  0.67560040
   0.70128136  0.95646591  0.73737021
   0.75736482  0.66769224  0.99197953
   0.52948766  0.64241883  0.89157696
   0.71928585  0.84392091  0.59866960
   0.49155841  0.81012476  0.44848728
   0.88771099  0.23426760  0.07632616
   0.89461855  0.38169507  0.41061014
   0.34057551  0.13319366  0.63007643
   0.29847769  0.79270375  0.74437361
   0.15424518  1.09498522  0.22657235
   0.25231104  1.13185204  0.05245018
   0.64463910  0.36262443  0.87357711
   0.92785677  0.47264092  0.68489264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887824    0.051112    0.006665
    -0.000000    9.794136   -0.089262
    -0.000000    0.000000   13.990283
   Si   O    H 
    32    64    10
Direct configuration=  2619
   0.17303320  0.19824758 -0.01987576
   0.34427281  0.10151987  0.38717877
   0.16431100  0.43052297  0.12263961
   0.41011808  0.33747165  0.25479105
   0.05536905  0.13171818  0.49119285
   0.41046495  0.11491580  0.85698169
   0.12200347  0.37428954  0.62722753
   0.38637154  0.35259116  0.74248655
   0.13022729  0.69145782  0.00728847
   0.41763931  0.59965400  0.37473316
   0.05865552  0.90269989  0.14520225
   0.30754986  0.85213821  0.26108375
   0.17064108  0.60771843  0.49232570
   0.36565810  0.61654303  0.86192257
   0.06279007  0.86116481  0.60592927
   0.33672704  0.99824328  0.67707217
   0.62709947  0.11484576  1.00914286
   0.83090663  0.12825146  0.34154230
   0.63117460  0.39724139  0.11544783
   0.89798353  0.31361297  0.16119435
   0.61136701  0.18898561  0.49631047
   0.89227713  0.09496773  0.89186721
   0.63115672  0.45649422  0.62033207
   0.76131015  0.36165890  0.81301852
   0.59722529  0.66077851 -0.00164194
   0.90350697  0.61209440  0.38477350
   0.54021495  0.89031816  0.13542237
   0.81320045  0.84109451  0.24847748
   0.66466944  0.69306805  0.48066430
   0.86103207  0.62751718  0.90323562
   0.62832285  0.94492444  0.63134506
   0.84307914  0.87369074  0.76037101
   0.07357760  0.06994856  0.17370436
   0.34660708  0.19392296  0.28768049
   0.15886164  0.35696540  0.01795697
   0.40030750  0.43234632  0.34999027
   0.54721517  0.31746596  0.20893200
   0.30781392  0.40109975  0.16945112
   0.20196601  0.13407365  0.43915738
  -0.05239968  0.18904020  0.41676283
   0.02387008 -0.03278911  0.51788663
   0.48555351  0.22939966  0.78471135
   0.05337910  0.23057836  0.59039208
   0.33369941  0.46102297  0.83145743
   0.48348904  0.45718582  0.67405662
   0.25940049  0.30775979  0.68450265
   0.27270589  0.17832399 -0.11261147
   0.03237212  0.13770826  0.94374108
   0.14347541  0.59830391  0.10204707
   0.36735372  0.69859848  0.28671467
   0.11714958  0.84496472  0.04757579
   0.36222878  0.94366510  0.34990194
   0.39073257  0.91030879  0.17238637
   0.16015869  0.84344309  0.22553827
   0.31680149  0.64543425  0.45779371
   0.06765296  0.60546700  0.40386105
   0.17498226  0.44271766  0.53270268
   0.32691002  0.68943391  0.76695099
   0.12377598  0.71087751  0.56926955
   0.38899466  0.98242172  0.79201468
   0.46559050  0.91474408  0.63396672
   0.18975821  0.92465200  0.66213751
   0.27802749  0.69085521 -0.04739095
   0.01568718  0.65695490  0.92880940
   0.60233023  0.04356748  0.10806407
   0.84583032  0.20538229  0.23722374
   0.61193368  0.27645886  0.03283839
   0.84430926  0.46295372  0.38972980
   0.04539329  0.38452332  0.19188613
   0.78311064  0.42701250  0.14920446
   0.69203982  0.17849295  0.39921745
   0.45472460  0.15765721  0.46445228
   0.65566080  0.08411680  0.57232957
   0.84276553  0.21561955  0.80842167
   0.64544950  0.33819127  0.53827963
   0.86939420  0.46085605  0.87229010
   1.03081718  0.47229631  0.69155534
   0.74466145  0.41078023  0.69660394
   0.76760097  0.08311112  0.96915299
   0.51063809  0.05391999  0.94060777
   0.56691543  0.52480256  0.06281450
   0.85978625  0.69556458  0.29051979
   0.53026216  0.79267508  0.04351358
   0.82301408  0.95809402  0.33193840
   0.90327725  0.84074885  0.14734095
   0.65918712  0.83598438  0.21129819
   0.82569153  0.70863459  0.46418555
   0.57034927  0.59415865  0.39893442
   0.65046717  0.60873557  0.58072381
   0.81024788  0.72896677  0.81822183
   0.57706726  0.83135626  0.47512830
   0.92748131  0.95293814  0.84577467
   0.93799955  0.82644105  0.67567430
   0.70391173  0.95573024  0.73742288
   0.75892069  0.66727577  0.99143310
   0.52906504  0.64228534  0.89092903
   0.71894825  0.83480541  0.59580399
   0.49238874  0.80458676  0.44333883
   0.88311478  0.23728852  0.07559346
   0.89241278  0.38366886  0.40306662
   0.34007758  0.13588676  0.63035127
   0.29464635  0.78938838  0.74472408
   0.14077134  1.09013997  0.21384815
   0.24796456  1.13459577  0.05577824
   0.63617186  0.36181898  0.87945515
   0.91916048  0.46380868  0.68627177
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886412    0.052935    0.007244
    -0.000000    9.792254   -0.088207
    -0.000000    0.000000   13.989343
   Si   O    H 
    32    64    10
Direct configuration=  2620
   0.17242382  0.19819781 -0.02068337
   0.34395065  0.10251482  0.38806439
   0.16362401  0.43174440  0.12184952
   0.40906836  0.33837928  0.25484742
   0.05677408  0.13058313  0.49264535
   0.41042885  0.11452022  0.85719415
   0.12184982  0.37552534  0.62720847
   0.38759480  0.35254552  0.74330823
   0.13082476  0.69302881  0.00675335
   0.41732586  0.60054859  0.37450387
   0.05778462  0.90313617  0.14558414
   0.30617177  0.85209951  0.26012296
   0.16986539  0.60767834  0.49083894
   0.36453372  0.61557851  0.86107916
   0.06313427  0.86129207  0.60550067
   0.33883565  0.99771252  0.67713601
   0.62650387  0.11515262  1.00892594
   0.83120710  0.12873643  0.34029786
   0.63083462  0.39733903  0.11550282
   0.89816331  0.31513264  0.16177845
   0.61080532  0.18986539  0.49559485
   0.89058002  0.09646648  0.89142454
   0.63191775  0.45531460  0.62039049
   0.75951795  0.36211244  0.81349190
   0.59717496  0.66128528 -0.00155574
   0.90424911  0.61233689  0.38491959
   0.53906331  0.89048225  0.13536357
   0.81361731  0.84005908  0.24950929
   0.66513063  0.69120436  0.48074314
   0.86170213  0.62817859  0.90400581
   0.62800006  0.94600175  0.63174566
   0.84350011  0.87234095  0.75958259
   0.07505781  0.07246573  0.17314273
   0.34496747  0.19442467  0.28687345
   0.15797411  0.35859682  0.01873246
   0.39832416  0.43388012  0.34935038
   0.54698118  0.31615003  0.20675543
   0.30601412  0.40065800  0.17074186
   0.19991086  0.13355926  0.43817956
  -0.05320153  0.18753146  0.41543467
   0.02382682 -0.03273821  0.51903536
   0.48584734  0.22955851  0.78564243
   0.05383221  0.23004722  0.59037997
   0.33353135  0.46013594  0.83139029
   0.48499094  0.45570527  0.67187256
   0.25996703  0.30721787  0.68509859
   0.27056618  0.17930747 -0.11231835
   0.03395537  0.13971972  0.94552650
   0.14386314  0.59926533  0.10227592
   0.36805202  0.69929179  0.28647980
   0.11828082  0.84299481  0.04693076
   0.36172104  0.94313980  0.35014580
   0.38994025  0.90987437  0.17347609
   0.16028729  0.84403908  0.22532110
   0.31768187  0.64463629  0.45798141
   0.06709126  0.60447505  0.40361468
   0.17467611  0.44296596  0.53175625
   0.32589815  0.69066090  0.76556787
   0.12232083  0.71071326  0.57113210
   0.38844195  0.98144837  0.79210628
   0.46567962  0.91483590  0.63554172
   0.18998420  0.92461833  0.66211755
   0.27691486  0.69150747 -0.04639707
   0.01587730  0.65861577  0.92813306
   0.60288353  0.04274502  0.10861201
   0.84500036  0.20496045  0.23697342
   0.61244412  0.27570653  0.03209547
   0.84483596  0.46211368  0.38959805
   0.04656779  0.38511736  0.19139130
   0.78103676  0.42651801  0.15029282
   0.69294822  0.17754570  0.39811311
   0.45450399  0.15615045  0.46455492
   0.65509009  0.08503793  0.57383311
   0.84590966  0.21604671  0.80824160
   0.64684993  0.33874469  0.53844696
   0.86905203  0.46176932  0.87174521
   1.02933543  0.47207665  0.69100434
   0.74424824  0.41191987  0.69492065
   0.76748515  0.08261469  0.97037733
   0.51180172  0.05457085  0.94059812
   0.56778823  0.52336677  0.06278681
   0.86000190  0.69574296  0.29062037
   0.53162931  0.79251120  0.04459960
   0.82465457  0.95888258  0.33184119
   0.90347907  0.83825645  0.14857118
   0.65845161  0.83484699  0.21085460
   0.82466129  0.70722043  0.46335772
   0.57103831  0.59515759  0.40076843
   0.65120528  0.60774229  0.58053438
   0.80980792  0.72938046  0.81876269
   0.57566220  0.83153728  0.47553896
   0.92677385  0.95305443  0.84489481
   0.93860392  0.82675222  0.67572337
   0.70662440  0.95567376  0.73751363
   0.76008416  0.66678186  0.99056449
   0.52753272  0.64279183  0.89061074
   0.71419064  0.82816272  0.59298210
   0.49246453  0.80713581  0.44018387
   0.88338513  0.23697102  0.07437087
   0.89636671  0.37335812  0.39842268
   0.33743804  0.13461221  0.63299571
   0.29635371  0.77335107  0.75060260
   0.14370649  1.09243819  0.21005279
   0.24489505  1.13573358  0.05999325
   0.63357232  0.36425938  0.88278515
   0.92239823  0.46129335  0.68906754
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885016    0.054427    0.008037
    -0.000000    9.790294   -0.087101
    -0.000000    0.000000   13.988424
   Si   O    H 
    32    64    10
Direct configuration=  2621
   0.17217466  0.19872691 -0.02173241
   0.34329385  0.10343494  0.38931531
   0.16283583  0.43295127  0.12107954
   0.40790049  0.33966640  0.25517530
   0.05769736  0.12884013  0.49437652
   0.41046058  0.11335410  0.85721225
   0.12179605  0.37685307  0.62684379
   0.38935755  0.35344411  0.74398182
   0.13165971  0.69416082  0.00608061
   0.41799085  0.60099069  0.37390978
   0.05647938  0.90321419  0.14572530
   0.30533015  0.85205522  0.25935464
   0.16932749  0.60703656  0.48944631
   0.36400290  0.61490848  0.86057742
   0.06327388  0.86113433  0.60514187
   0.34115817  0.99741573  0.67728468
   0.62521283  0.11591588  1.00902267
   0.83144560  0.12954753  0.33910305
   0.63061822  0.39643151  0.11551099
   0.89769118  0.31703978  0.16190627
   0.61050739  0.19096274  0.49511712
   0.88842869  0.09754582  0.89099601
   0.63215781  0.45368684  0.62078116
   0.75718540  0.36258321  0.81384752
   0.59729592  0.66095822 -0.00180968
   0.90487319  0.61230184  0.38489993
   0.53837557  0.89081415  0.13516247
   0.81354522  0.83892892  0.25055439
   0.66567292  0.68925702  0.48070938
   0.86259159  0.62841169  0.90450933
   0.62801329  0.94687457  0.63195838
   0.84360120  0.87066719  0.75911438
   0.07550075  0.07421698  0.17193156
   0.34263517  0.19485671  0.28605345
   0.15678436  0.35998982  0.01993620
   0.39655923  0.43531113  0.34940575
   0.54766293  0.31511886  0.20439315
   0.30456024  0.40048835  0.17203826
   0.19773224  0.13306538  0.43734794
  -0.05357875  0.18622250  0.41394412
   0.02331452 -0.03278136  0.52015353
   0.48639603  0.22986129  0.78620855
   0.05397656  0.22940446  0.59055251
   0.33319964  0.45844889  0.83051739
   0.48600923  0.45382762  0.66982854
   0.26049703  0.30706790  0.68541055
   0.26872817  0.17987863 -0.11214518
   0.03489164  0.14111038  0.94619078
   0.14374972  0.59953199  0.10277136
   0.36865929  0.69941764  0.28630083
   0.11926322  0.84159219  0.04662317
   0.36144204  0.94362408  0.35055491
   0.38908137  0.91008701  0.17537996
   0.16039031  0.84380091  0.22499531
   0.31805202  0.64333315  0.45889798
   0.06609360  0.60372819  0.40307579
   0.17403992  0.44342016  0.53057752
   0.32501119  0.69107518  0.76446964
   0.12099497  0.71177142  0.57297393
   0.38816169  0.98114087  0.79269583
   0.46554624  0.91463909  0.63661997
   0.19080089  0.92572309  0.66198450
   0.27539466  0.69216113 -0.04542721
   0.01650749  0.66029049  0.92794819
   0.60247985  0.04182602  0.10909641
   0.84349206  0.20446770  0.23680972
   0.61366477  0.27575394  0.03169475
   0.84511284  0.46108000  0.38901569
   0.04719650  0.38560506  0.19136992
   0.77883254  0.42643324  0.15118042
   0.69438240  0.17639166  0.39711464
   0.45511579  0.15487656  0.46496219
   0.65433901  0.08538620  0.57536666
   0.84836629  0.21588112  0.80835564
   0.64811648  0.33910454  0.53855585
   0.86855471  0.46236785  0.87094489
   1.02771413  0.47111583  0.69073108
   0.74477519  0.41219219  0.69377019
   0.76884921  0.08214094  0.97106457
   0.51268850  0.05682872  0.94058008
   0.56785926  0.52259906  0.06291059
   0.85999280  0.69607509  0.29022388
   0.53289177  0.79254415  0.04540147
   0.82643156  0.96064906  0.33212448
   0.90404402  0.83671832  0.14977590
   0.65743584  0.83391554  0.21035548
   0.82306244  0.70547701  0.46253899
   0.57237430  0.59578898  0.40279053
   0.65184637  0.60657999  0.57994635
   0.80950336  0.72957338  0.81891749
   0.57370784  0.83180413  0.47517519
   0.92544046  0.95151086  0.84362061
   0.93999963  0.82713051  0.67530198
   0.70841916  0.95592596  0.73721730
   0.76062848  0.66559239  0.98958659
   0.52657089  0.64321403  0.89065374
   0.71059436  0.82620700  0.59105254
   0.49097096  0.81690039  0.43850447
   0.88928340  0.23784288  0.07189787
   0.89519040  0.36848067  0.39593835
   0.33621855  0.12829743  0.63570318
   0.29203089  0.77975678  0.75415963
   0.16600286  1.10090565  0.21523589
   0.24297321  1.14036146  0.06210738
   0.63658748  0.36796436  0.88236430
   0.93491067  0.45744394  0.69282140
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883400    0.056292    0.008706
    -0.000000    9.788142   -0.085549
    -0.000000    0.000000   13.986979
   Si   O    H 
    32    64    10
Direct configuration=  2622
   0.17242334  0.19933915 -0.02264052
   0.34231816  0.10463642  0.39014431
   0.16218332  0.43431761  0.12033055
   0.40583246  0.34062016  0.25512653
   0.05865060  0.12789829  0.49609668
   0.41111442  0.11215986  0.85691335
   0.12201804  0.37776536  0.62675760
   0.39111438  0.35433601  0.74417168
   0.13223137  0.69459021  0.00538566
   0.41848755  0.60151511  0.37290311
   0.05486589  0.90315552  0.14551173
   0.30496030  0.85187800  0.25910613
   0.16929854  0.60646387  0.48891278
   0.36348539  0.61465383  0.86021228
   0.06337480  0.86046240  0.60461858
   0.34287582  0.99700144  0.67745965
   0.62391331  0.11593030  1.00923005
   0.83196575  0.13053777  0.33771818
   0.63002633  0.39511773  0.11556394
   0.89807389  0.31846649  0.16218437
   0.60983246  0.19155300  0.49446571
   0.88577711  0.09855304  0.89035593
   0.63213944  0.45148384  0.62135924
   0.75481945  0.36300102  0.81431592
   0.59710709  0.66000670 -0.00209097
   0.90592058  0.61262216  0.38491850
   0.53878272  0.89082918  0.13517600
   0.81349098  0.83810997  0.25156149
   0.66650373  0.68706091  0.48041225
   0.86352086  0.62891133  0.90455055
   0.62815140  0.94736045  0.63216733
   0.84398356  0.86933672  0.75962550
   0.07610169  0.07495216  0.17110696
   0.34018102  0.19444944  0.28518758
   0.15533623  0.36086664  0.02077182
   0.39514611  0.43711749  0.34905923
   0.54821168  0.31462761  0.20194536
   0.30342085  0.40087463  0.17374793
   0.19601258  0.13272800  0.43700837
  -0.05351690  0.18434704  0.41264848
   0.02298140 -0.03272139  0.52106637
   0.48659908  0.23037771  0.78654547
   0.05410532  0.22795036  0.59077320
   0.33360441  0.45632072  0.82968467
   0.48621522  0.45190275  0.66795359
   0.26108141  0.30756935  0.68529868
   0.26752362  0.18093525 -0.11213871
   0.03472625  0.14254494  0.94624276
   0.14429435  0.59892383  0.10378023
   0.36933155  0.70004509  0.28597769
   0.12018757  0.84054676  0.04655083
   0.36045805  0.94481948  0.35100672
   0.38892521  0.90998868  0.17651640
   0.15988185  0.84271698  0.22526809
   0.31892414  0.64242285  0.45961243
   0.06436512  0.60306203  0.40192288
   0.17336913  0.44490390  0.52966013
   0.32505371  0.69026366  0.76294273
   0.11978486  0.71238714  0.57385837
   0.38742181  0.98156100  0.79264231
   0.46536060  0.91448763  0.63712276
   0.19197988  0.92554373  0.66202719
   0.27454278  0.69191533 -0.04516953
   0.01744008  0.66159045  0.92808662
   0.60170028  0.04105757  0.11029469
   0.84103707  0.20364533  0.23682423
   0.61442004  0.27695985  0.03194981
   0.84561256  0.45970452  0.38819809
   0.04681486  0.38609080  0.19106642
   0.77674104  0.42784170  0.15223079
   0.69600700  0.17439964  0.39608679
   0.45586253  0.15373675  0.46530705
   0.65405590  0.08567314  0.57679641
   0.85027880  0.21489662  0.80891839
   0.64998028  0.33893863  0.53847604
   0.86788482  0.46382286  0.86990947
   1.02721356  0.46994479  0.69049883
   0.74597069  0.41253201  0.69347654
   0.77155737  0.08175800  0.97160355
   0.51260716  0.05921026  0.93991973
   0.56804063  0.52121851  0.06285646
   0.86040363  0.69597769  0.28982372
   0.53411281  0.79304458  0.04579281
   0.82827595  0.96278803  0.33182713
   0.90513325  0.83535155  0.15055686
   0.65717834  0.83370060  0.20994649
   0.82241460  0.70415352  0.46226035
   0.57368998  0.59723831  0.40438460
   0.65260422  0.60590544  0.57902742
   0.80887899  0.72885573  0.81970234
   0.57145856  0.83279303  0.47434866
   0.92470123  0.94958296  0.84237020
   0.94191929  0.82766912  0.67454759
   0.71051910  0.95602363  0.73663377
   0.76086374  0.66521450  0.98901585
   0.52525711  0.64253757  0.89055759
   0.70835800  0.82863380  0.59178906
   0.49157813  0.83260787  0.43874668
   0.89765462  0.24012838  0.06953269
   0.89035217  0.37293463  0.39481813
   0.33944765  0.12857748  0.63712886
   0.28307543  0.79010784  0.75771955
   0.17553907  1.10358349  0.21253878
   0.24265169  1.14332037  0.06289825
   0.64085790  0.37228080  0.87734953
   0.93783058  0.45349481  0.69727646
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882142    0.057962    0.008309
    -0.000000    9.785902   -0.084545
    -0.000000    0.000000   13.985751
   Si   O    H 
    32    64    10
Direct configuration=  2623
   0.17309407  0.19965895 -0.02303723
   0.34185195  0.10499510  0.39026651
   0.16168767  0.43558151  0.11997280
   0.40325841  0.34123790  0.25469508
   0.06003173  0.12757911  0.49783722
   0.41127314  0.11116375  0.85656754
   0.12221202  0.37877344  0.62625955
   0.39352418  0.35543185  0.74468327
   0.13225370  0.69464647  0.00505445
   0.41931576  0.60166253  0.37219470
   0.05353379  0.90392438  0.14569558
   0.30584177  0.85183709  0.25924688
   0.16976049  0.60602882  0.48918591
   0.36360252  0.61483371  0.86020243
   0.06398251  0.86033616  0.60404365
   0.34341274  0.99692508  0.67765118
   0.62306060  0.11590754  1.00987277
   0.83243051  0.13171475  0.33641995
   0.62958146  0.39318981  0.11525031
   0.89846432  0.31921592  0.16237736
   0.60954256  0.19196726  0.49352970
   0.88339806  0.09991122  0.88983150
   0.63108358  0.44951394  0.62110575
   0.75370478  0.36324586  0.81467768
   0.59641707  0.65861356 -0.00213958
   0.90707799  0.61314948  0.38456018
   0.53965098  0.89057743  0.13563314
   0.81352384  0.83863154  0.25207819
   0.66675259  0.68528848  0.48012619
   0.86435806  0.62956069  0.90399348
   0.62813569  0.94732219  0.63282456
   0.84459070  0.86733428  0.76044907
   0.07644653  0.07539048  0.17011399
   0.33794380  0.19413748  0.28503129
   0.15383729  0.36078029  0.02107527
   0.39375666  0.43894328  0.34851924
   0.54853238  0.31483848  0.20026784
   0.30246828  0.40105729  0.17524092
   0.19453164  0.13326614  0.43675467
  -0.05316531  0.18249367  0.41141373
   0.02294860 -0.03232173  0.52234866
   0.48691586  0.23121688  0.78687809
   0.05390888  0.22672432  0.59056387
   0.33443470  0.45387699  0.82917599
   0.48580760  0.44924295  0.66647891
   0.26201067  0.30819787  0.68564672
   0.26676511  0.18163857 -0.11287883
   0.03393479  0.14327219  0.94573973
   0.14465927  0.59814167  0.10460803
   0.37048442  0.70046578  0.28562654
   0.12102521  0.84053231  0.04678211
   0.35958672  0.94632326  0.35161759
   0.38955630  0.90938371  0.17676211
   0.15894126  0.84202447  0.22588486
   0.32058285  0.64112276  0.46011361
   0.06261929  0.60329372  0.40057060
   0.17273174  0.44642753  0.52870959
   0.32513027  0.68980212  0.76188202
   0.11833635  0.71282460  0.57443303
   0.38689469  0.98151357  0.79246928
   0.46563364  0.91414261  0.63682155
   0.19323536  0.92599611  0.66266445
   0.27431419  0.69160135 -0.04471045
   0.01827140  0.66274998  0.92789309
   0.60148615  0.04070289  0.11208889
   0.83850145  0.20269869  0.23716210
   0.61537872  0.27798047  0.03177583
   0.84592819  0.45856094  0.38755156
   0.04577446  0.38618577  0.19090860
   0.77519008  0.42925007  0.15319870
   0.69796348  0.17319557  0.39449294
   0.45649810  0.15314092  0.46651691
   0.65323617  0.08534362  0.57838265
   0.85105639  0.21419489  0.80942813
   0.65191218  0.33886743  0.53786841
   0.86714282  0.46471067  0.86872079
   1.02750944  0.47065576  0.69108773
   0.74673534  0.41263570  0.69424669
   0.77377813  0.08095476  0.97186160
   0.51187354  0.06129353  0.93870583
   0.56813165  0.52080558  0.06268388
   0.86095292  0.69573873  0.28935652
   0.53565957  0.79334561  0.04583460
   0.82989574  0.96421523  0.33171413
   0.90634315  0.83430549  0.15173898
   0.65720970  0.83372955  0.20965390
   0.82216621  0.70335570  0.46170474
   0.57580432  0.59908118  0.40525649
   0.65374406  0.60435041  0.57818382
   0.80856765  0.72835761  0.82074913
   0.57138552  0.83348236  0.47433831
   0.92394659  0.94764351  0.84124059
   0.94321238  0.82802704  0.67331173
   0.71272523  0.95619740  0.73637142
   0.76108117  0.66526301  0.98863140
   0.52395193  0.64178200  0.89088281
   0.70560309  0.83269987  0.59273431
   0.48254300  0.84415710  0.43560232
   0.90805645  0.24359461  0.06820505
   0.89114209  0.37457095  0.39315886
   0.34174904  0.13263905  0.63742710
   0.28096556  0.78560772  0.76068619
   0.17628577  1.10638157  0.20665600
   0.24260947  1.14405942  0.06243517
   0.64140358  0.37503396  0.87167581
   0.92096893  0.44451323  0.70372014
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881133    0.059814    0.008224
    -0.000000    9.783659   -0.083062
    -0.000000    0.000000   13.984365
   Si   O    H 
    32    64    10
Direct configuration=  2624
   0.17370983  0.20112460 -0.02343787
   0.34203780  0.10518294  0.38986117
   0.16134342  0.43687075  0.11974204
   0.40027572  0.34189198  0.25430784
   0.06052794  0.12685691  0.49979575
   0.41186634  0.11070206  0.85642993
   0.12204570  0.37933719  0.62534863
   0.39612011  0.35686257  0.74507032
   0.13253395  0.69460245  0.00464559
   0.42040758  0.60170235  0.37187096
   0.05265778  0.90444638  0.14536510
   0.30663088  0.85154348  0.25961301
   0.17005821  0.60482382  0.48943295
   0.36342966  0.61561000  0.86068481
   0.06498305  0.86042120  0.60379144
   0.34417456  0.99710356  0.67804825
   0.62256862  0.11658952  1.01081480
   0.83302560  0.13263320  0.33571542
   0.62966238  0.39101847  0.11523186
   0.89872942  0.31954053  0.16262560
   0.60996072  0.19239737  0.49254888
   0.88143116  0.10068154  0.88891177
   0.62961635  0.44725542  0.62082478
   0.75325239  0.36292268  0.81490709
   0.59539566  0.65712618 -0.00216502
   0.90739932  0.61399355  0.38403241
   0.54030620  0.89064722  0.13611245
   0.81387181  0.83865604  0.25250337
   0.66626140  0.68428401  0.48003164
   0.86457744  0.63012366  0.90298293
   0.62884493  0.94711477  0.63406351
   0.84461930  0.86467608  0.76113701
   0.07811330  0.07621291  0.16958423
   0.33643503  0.19317023  0.28537644
   0.15230522  0.36104882  0.02078473
   0.39252451  0.43983927  0.34806148
   0.54923107  0.31566452  0.19900169
   0.30231712  0.40109218  0.17675790
   0.19314752  0.13407203  0.43674732
  -0.05274613  0.18129927  0.41070230
   0.02290167 -0.03239086  0.52352264
   0.48688565  0.23275350  0.78675763
   0.05377942  0.22567016  0.59058828
   0.33515743  0.45156597  0.82913866
   0.48524055  0.44652773  0.66516964
   0.26248882  0.30889215  0.68661234
   0.26560079  0.18196938 -0.11397267
   0.03257976  0.14373338  0.94480019
   0.14442917  0.59767000  0.10504647
   0.37151278  0.70137632  0.28527131
   0.12139238  0.84174388  0.04731161
   0.35870743  0.94810808  0.35269915
   0.39028149  0.90846770  0.17651188
   0.15767511  0.84139267  0.22668512
   0.32218955  0.64034418  0.46056704
   0.06178096  0.60392136  0.39929819
   0.17251560  0.44806449  0.52807712
   0.32478108  0.69054009  0.76086537
   0.11710381  0.71255691  0.57427780
   0.38658443  0.98153879  0.79228419
   0.46598419  0.91366178  0.63609043
   0.19460213  0.92669247  0.66253694
   0.27516958  0.69099378 -0.04435388
   0.01877708  0.66344022  0.92814818
   0.60147780  0.04001066  0.11353113
   0.83602390  0.20252536  0.23748214
   0.61600012  0.27816206  0.03215279
   0.84681253  0.45850530  0.38714982
   0.04394070  0.38670699  0.19132505
   0.77445476  0.43026140  0.15466387
   0.69889541  0.17211882  0.39299424
   0.45680009  0.15243317  0.46741637
   0.65207579  0.08545245  0.57972807
   0.85188727  0.21366919  0.81041845
   0.65366309  0.33858415  0.53682993
   0.86670773  0.46573820  0.86788058
   1.02640201  0.47114368  0.69157675
   0.74854398  0.41280830  0.69553699
   0.77534307  0.08001094  0.97229155
   0.51141739  0.06318226  0.93774866
   0.56819013  0.52046779  0.06205091
   0.86104302  0.69468217  0.28993919
   0.53703333  0.79334892  0.04548584
   0.83142452  0.96551396  0.33095772
   0.90785517  0.83380970  0.15295636
   0.65720841  0.83389447  0.20953480
   0.82230113  0.70331872  0.46144280
   0.57844280  0.60100401  0.40592268
   0.65512750  0.60292031  0.57733205
   0.80913938  0.72838871  0.82080870
   0.57141805  0.83438266  0.47462463
   0.92438809  0.94668106  0.84056997
   0.94490479  0.82839049  0.67221703
   0.71406883  0.95624135  0.73677086
   0.76176046  0.66564421  0.98823428
   0.52327456  0.64188174  0.89145114
   0.70417864  0.83698590  0.59238121
   0.48090817  0.85354380  0.43601779
   0.91678361  0.24701591  0.06806052
   0.89753399  0.36944357  0.39412798
   0.34437951  0.13485060  0.63593558
   0.28057406  0.77114391  0.76514125
   0.16446380  1.10377049  0.19716768
   0.24226150  1.14558110  0.05759871
   0.63512533  0.37746322  0.86922241
   0.91401937  0.43718867  0.70762332
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880159    0.061822    0.008379
    -0.000000    9.781524   -0.080930
    -0.000000    0.000000   13.982944
   Si   O    H 
    32    64    10
Direct configuration=  2625
   0.17372772  0.20245435 -0.02351884
   0.34251754  0.10592857  0.38946464
   0.16119215  0.43828074  0.11951088
   0.39746404  0.34212675  0.25404682
   0.06042111  0.12634219  0.50129944
   0.41225953  0.11045558  0.85587789
   0.12239313  0.37915033  0.62453855
   0.39810623  0.35792012  0.74539124
   0.13315621  0.69419379  0.00457843
   0.42182967  0.60163324  0.37163114
   0.05233575  0.90473819  0.14502355
   0.30765966  0.85132548  0.26061595
   0.17086140  0.60362342  0.49002119
   0.36287295  0.61632509  0.86092487
   0.06609342  0.86031148  0.60359484
   0.34445174  0.99706179  0.67859806
   0.62231668  0.11748999  1.01185187
   0.83330605  0.13308194  0.33509406
   0.62961061  0.38838162  0.11500810
   0.89896960  0.31995214  0.16276529
   0.61074349  0.19258480  0.49157199
   0.88031857  0.10136788  0.88777495
   0.62864263  0.44558444  0.62015609
   0.75409891  0.36253639  0.81499409
   0.59455715  0.65589522 -0.00266714
   0.90722160  0.61520025  0.38334995
   0.54134033  0.89077025  0.13656556
   0.81416651  0.83877219  0.25244664
   0.66521035  0.68400156  0.47972645
   0.86533327  0.63062651  0.90193254
   0.62979422  0.94691039  0.63513628
   0.84404402  0.86166873  0.76156075
   0.07937270  0.07677895  0.16845715
   0.33608233  0.19230660  0.28591760
   0.15072881  0.36090864  0.02031622
   0.39143731  0.44176938  0.34748681
   0.54879548  0.31658629  0.19846520
   0.30228030  0.40101113  0.17805896
   0.19261631  0.13455479  0.43674645
  -0.05170829  0.18123808  0.41030996
   0.02338995 -0.03146113  0.52347739
   0.48746002  0.23276742  0.78668064
   0.05355384  0.22552359  0.59056484
   0.33608903  0.45061067  0.82949381
   0.48419169  0.44395166  0.66387219
   0.26212889  0.30950896  0.68721669
   0.26508764  0.18219304 -0.11520596
   0.03037167  0.14418539  0.94358679
   0.14382323  0.59748087  0.10468888
   0.37267585  0.70208629  0.28510903
   0.12211872  0.84450480  0.04819960
   0.35732558  0.94965155  0.35318383
   0.39224419  0.90764029  0.17597292
   0.15610133  0.84036399  0.22737888
   0.32321169  0.63981302  0.46095302
   0.06181902  0.60447182  0.39813412
   0.17253532  0.44995640  0.52799956
   0.32491960  0.69067080  0.76013409
   0.11608843  0.71174303  0.57367618
   0.38661829  0.98066607  0.79254927
   0.46721268  0.91326495  0.63498633
   0.19591672  0.92748359  0.66235755
   0.27645596  0.68988347 -0.04517697
   0.01895692  0.66476948  0.92812028
   0.60095077  0.03965947  0.11421122
   0.83442951  0.20238705  0.23728748
   0.61693268  0.27836368  0.03243144
   0.84768642  0.45829957  0.38660555
   0.04175938  0.38740602  0.19216601
   0.77413392  0.43163164  0.15595720
   0.69907421  0.17106173  0.39255436
   0.45693665  0.15107375  0.46804576
   0.65060341  0.08597646  0.58070974
   0.85271418  0.21408505  0.81222486
   0.65470726  0.33714761  0.53518051
   0.86618415  0.46725786  0.86718011
   1.02500522  0.47095906  0.69180437
   0.75082386  0.41269635  0.69727443
   0.77625294  0.07911419  0.97231970
   0.51171423  0.06371003  0.93654319
   0.56758164  0.52087679  0.06182094
   0.86121259  0.69385502  0.29005628
   0.53732786  0.79307522  0.04474783
   0.83348799  0.96645788  0.33045979
   0.90894035  0.83267794  0.15417868
   0.65729939  0.83427740  0.20914664
   0.82317480  0.70373798  0.46128825
   0.58047905  0.60174758  0.40624189
   0.65684065  0.60160612  0.57680328
   0.81043985  0.72735283  0.82069576
   0.57113471  0.83511700  0.47468954
   0.92478834  0.94620116  0.83995686
   0.94651066  0.82854721  0.67160855
   0.71467774  0.95550581  0.73677596
   0.76180481  0.66606734  0.98831847
   0.52245470  0.64224236  0.89156793
   0.70604330  0.84024247  0.59183203
   0.48579543  0.85747158  0.43920534
   0.92035184  0.25414427  0.07083029
   0.90385453  0.36957957  0.39835350
   0.34681496  0.13315592  0.63527063
   0.27076649  0.77480626  0.76874318
   0.15132073  1.10105201  0.18749968
   0.24513357  1.14782946  0.05613988
   0.62684260  0.37845026  0.86662738
   0.92222309  0.43539829  0.70578188
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879533    0.062956    0.008506
    -0.000000    9.778920   -0.078565
    -0.000000    0.000000   13.980945
   Si   O    H 
    32    64    10
Direct configuration=  2626
   0.17307510  0.20348054 -0.02330962
   0.34254075  0.10691835  0.38956968
   0.16161264  0.43856946  0.11946867
   0.39509730  0.34258543  0.25410683
   0.05982046  0.12592071  0.50220007
   0.41222115  0.11078158  0.85555868
   0.12338926  0.37806929  0.62398060
   0.39997457  0.35973940  0.74524702
   0.13426853  0.69369139  0.00430783
   0.42276404  0.60142485  0.37134335
   0.05215759  0.90492473  0.14544083
   0.30890390  0.85127226  0.26186724
   0.17201014  0.60258096  0.49045580
   0.36218736  0.61709768  0.86111682
   0.06733687  0.86013349  0.60289342
   0.34460784  0.99707297  0.67930507
   0.62212587  0.11847768  1.01239731
   0.83372798  0.13346991  0.33499409
   0.62984874  0.38659935  0.11462715
   0.89867272  0.31960732  0.16227155
   0.61160474  0.19249783  0.49077831
   0.88027628  0.10168174  0.88621894
   0.62800822  0.44417606  0.61960304
   0.75510304  0.36242640  0.81462572
   0.59372513  0.65448806 -0.00322133
   0.90647106  0.61544053  0.38237929
   0.54207682  0.89118789  0.13701224
   0.81412501  0.83899297  0.25253398
   0.66419163  0.68428857  0.47960774
   0.86588625  0.63116024  0.90020662
   0.63053370  0.94687883  0.63606436
   0.84415200  0.85871912  0.76235617
   0.07800404  0.07593309  0.16673311
   0.33573456  0.19154870  0.28666892
   0.14936864  0.36077769  0.01922996
   0.39021558  0.44287185  0.34691163
   0.54757053  0.31779879  0.19823563
   0.30114620  0.40168083  0.17851679
   0.19207635  0.13498588  0.43675904
  -0.05027606  0.18186427  0.41026168
   0.02415877 -0.03102072  0.52323474
   0.48722597  0.23274873  0.78680721
   0.05343090  0.22605379  0.59063778
   0.33703797  0.45078720  0.82978642
   0.48250239  0.44084316  0.66286760
   0.26143540  0.31032117  0.68754364
   0.26526755  0.18194745 -0.11639387
   0.02753099  0.14389786  0.94262229
   0.14315509  0.59714770  0.10403150
   0.37377268  0.70279282  0.28491534
   0.12311640  0.84790467  0.04940129
   0.35618866  0.94958495  0.35316039
   0.39356619  0.90675674  0.17503728
   0.15404594  0.84045985  0.22851110
   0.32379542  0.63893926  0.46094760
   0.06299503  0.60551779  0.39702101
   0.17213708  0.45073028  0.52737858
   0.32528329  0.69064277  0.75968239
   0.11572916  0.71095951  0.57254514
   0.38590724  0.97985062  0.79242167
   0.46780310  0.91315079  0.63359855
   0.19771192  0.92780108  0.66220956
   0.27816065  0.68809234 -0.04634086
   0.01878979  0.66527944  0.92807704
   0.60014315  0.03956329  0.11442543
   0.83305292  0.20335583  0.23650098
   0.61821819  0.27878146  0.03220155
   0.84826309  0.45770833  0.38598282
   0.04038918  0.38786411  0.19275855
   0.77375172  0.43283423  0.15715381
   0.69800487  0.17062944  0.39204527
   0.45761866  0.14986544  0.46880433
   0.64883843  0.08676051  0.58141799
   0.85274235  0.21520558  0.81281441
   0.65444087  0.33534626  0.53367273
   0.86582517  0.46900577  0.86679686
   1.02352117  0.47071920  0.69136485
   0.75300786  0.41302313  0.69964235
   0.77582454  0.07844745  0.97252320
   0.51186681  0.06417246  0.93555953
   0.56703535  0.52145101  0.06141464
   0.86147551  0.69355254  0.29002506
   0.53766057  0.79277725  0.04391668
   0.83593894  0.96589244  0.33007904
   0.90946832  0.83198500  0.15587660
   0.65698233  0.83454302  0.20902956
   0.82429130  0.70415020  0.46162340
   0.58138613  0.60194618  0.40562735
   0.65835370  0.60059580  0.57690521
   0.81145442  0.72565528  0.82026173
   0.57152983  0.83548131  0.47444260
   0.92596691  0.94648948  0.83946388
   0.94780045  0.82864485  0.67173209
   0.71569258  0.95482667  0.73622147
   0.76187857  0.66638184  0.98823198
   0.52134963  0.64280839  0.89163556
   0.71021380  0.84121858  0.59261102
   0.49376258  0.85502036  0.44035864
   0.92174108  0.26346163  0.07244829
   0.90465620  0.37381057  0.40103661
   0.34737645  0.13222495  0.63324703
   0.25986954  0.78075159  0.77085650
   0.17690828  1.11044559  0.19192490
   0.24907851  1.14551786  0.05677152
   0.62198705  0.37714755  0.86496961
   0.94133771  0.43912311  0.70133922
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879198    0.063620    0.008695
    -0.000000    9.776455   -0.076103
    -0.000000    0.000000   13.979314
   Si   O    H 
    32    64    10
Direct configuration=  2627
   0.17237437  0.20443044 -0.02300067
   0.34254636  0.10811247  0.38916432
   0.16162858  0.43873086  0.11963032
   0.39363548  0.34295033  0.25421653
   0.05957844  0.12532941  0.50282267
   0.41180145  0.11133000  0.85460025
   0.12442680  0.37656857  0.62320098
   0.40099072  0.36153736  0.74481575
   0.13543419  0.69338275  0.00435240
   0.42382917  0.60161052  0.37056957
   0.05257278  0.90556391  0.14596532
   0.31018568  0.85095596  0.26316510
   0.17237582  0.60217678  0.49063272
   0.36222198  0.61852872  0.86155797
   0.06831333  0.85998274  0.60241440
   0.34415151  0.99761625  0.67978598
   0.62184573  0.11888854  1.01305246
   0.83405481  0.13278313  0.33467459
   0.62991722  0.38493912  0.11431376
   0.89873112  0.31931808  0.16210372
   0.61276690  0.19181747  0.48998027
   0.88069607  0.10178800  0.88537145
   0.62778264  0.44291217  0.61882366
   0.75626531  0.36201982  0.81437162
   0.59346783  0.65328965 -0.00367793
   0.90573231  0.61552050  0.38158687
   0.54339597  0.89160041  0.13701829
   0.81378518  0.83980694  0.25236259
   0.66343036  0.68496721  0.47988984
   0.86639392  0.63110997  0.89877872
   0.63095685  0.94706522  0.63670777
   0.84439149  0.85608030  0.76309469
   0.07713907  0.07469547  0.16532125
   0.33534536  0.18951010  0.28710435
   0.14852058  0.36058402  0.01810040
   0.38960301  0.44322979  0.34609417
   0.54555920  0.31858008  0.19853590
   0.29992179  0.40219510  0.17841927
   0.19178331  0.13492131  0.43683703
  -0.04929830  0.18263278  0.41035546
   0.02429602 -0.03041876  0.52323438
   0.48611425  0.23366381  0.78685093
   0.05339421  0.22705396  0.59102429
   0.33806461  0.45091450  0.83063824
   0.48079037  0.43750575  0.66172337
   0.26125052  0.31242757  0.68732749
   0.26650094  0.18146502 -0.11789878
   0.02450685  0.14298963  0.94206370
   0.14242207  0.59639524  0.10334631
   0.37563818  0.70339124  0.28488830
   0.12418307  0.85139789  0.05023841
   0.35571107  0.94874969  0.35377991
   0.39470297  0.90643453  0.17395136
   0.15180797  0.84051207  0.22935254
   0.32476318  0.63783343  0.46132114
   0.06416762  0.60618202  0.39558172
   0.17210945  0.45004583  0.52686546
   0.32548249  0.69080256  0.75952331
   0.11624664  0.70956327  0.57135168
   0.38481778  0.97867806  0.79228573
   0.46922272  0.91357839  0.63275963
   0.19918968  0.92809581  0.66142493
   0.28040155  0.68617074 -0.04769765
   0.01844981  0.66526336  0.92810108
   0.59946565  0.04045408  0.11465245
   0.83139846  0.20441634  0.23537216
   0.62036354  0.27955110  0.03126439
   0.84917467  0.45705222  0.38538543
   0.03898553  0.38822319  0.19272613
   0.77311267  0.43394687  0.15783328
   0.69674086  0.17065731  0.39182010
   0.45782496  0.14869343  0.46903502
   0.64705778  0.08750611  0.58140495
   0.85141102  0.21676352  0.81332047
   0.65437452  0.33388511  0.53222700
   0.86588684  0.47086308  0.86654245
   1.02400044  0.47107747  0.69097975
   0.75476049  0.41223946  0.70184553
   0.77533825  0.07777645  0.97294170
   0.51206686  0.06477325  0.93471585
   0.56685937  0.52300965  0.06100690
   0.86145055  0.69330313  0.28981965
   0.53783178  0.79196381  0.04279576
   0.83824286  0.96481435  0.32914760
   0.90967176  0.83197619  0.15684437
   0.65690445  0.83518873  0.20860309
   0.82440560  0.70530495  0.46233341
   0.58111910  0.60136962  0.40389154
   0.65981187  0.59952114  0.57717266
   0.81250780  0.72416762  0.81899356
   0.57256026  0.83559636  0.47439120
   0.92734251  0.94773681  0.83990630
   0.94878549  0.82927702  0.67176033
   0.71704492  0.95490155  0.73625012
   0.76150143  0.66681854  0.98845145
   0.52094939  0.64339906  0.89132971
   0.71561633  0.83957281  0.59124025
   0.49096885  0.85070858  0.43992238
   0.92367010  0.26911158  0.07032491
   0.90531525  0.38220065  0.40153440
   0.34517036  0.13029097  0.63320448
   0.25831265  0.77453480  0.77072315
   0.18956101  1.11210869  0.19410885
   0.25463841  1.14117782  0.05529354
   0.61965303  0.37373449  0.86479814
   0.93617038  0.43577568  0.69951925
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878330    0.064149    0.008712
    -0.000000    9.773861   -0.073526
    -0.000000    0.000000   13.977380
   Si   O    H 
    32    64    10
Direct configuration=  2628
   0.17235979  0.20518063 -0.02281697
   0.34253046  0.11016250  0.38897550
   0.16179817  0.43890769  0.12004704
   0.39256827  0.34312769  0.25451212
   0.05961218  0.12502491  0.50290725
   0.41161742  0.11263513  0.85378609
   0.12493127  0.37462363  0.62286529
   0.40131021  0.36293906  0.74391802
   0.13603268  0.69333078  0.00465837
   0.42411788  0.60153264  0.36989855
   0.05302695  0.90661099  0.14700421
   0.31146200  0.85026505  0.26418632
   0.17249837  0.60211476  0.49071037
   0.36226808  0.61896378  0.86223928
   0.06898042  0.85962964  0.60161090
   0.34389604  0.99829968  0.68023192
   0.62129565  0.11883808  1.01356502
   0.83467604  0.13140230  0.33515949
   0.62990624  0.38463377  0.11436988
   0.89863582  0.31930575  0.16154985
   0.61355811  0.19063466  0.48930888
   0.88142675  0.10127823  0.88454219
   0.62806674  0.44216633  0.61838398
   0.75755921  0.36160198  0.81418172
   0.59354301  0.65180209 -0.00395642
   0.90438882  0.61496141  0.38062544
   0.54470564  0.89181985  0.13690521
   0.81336680  0.83992646  0.25192261
   0.66258938  0.68597092  0.47963624
   0.86634619  0.63036283  0.89766508
   0.63165215  0.94669910  0.63706164
   0.84482742  0.85379507  0.76413621
   0.07662275  0.07355001  0.16438541
   0.33462892  0.18778825  0.28674005
   0.14742343  0.36053546  0.01699626
   0.38866983  0.44406524  0.34605967
   0.54326727  0.31879536  0.19928928
   0.29753295  0.40362902  0.17746088
   0.19115079  0.13427347  0.43688804
  -0.04807508  0.18304455  0.41061488
   0.02309840 -0.03088499  0.52327513
   0.48529852  0.23465073  0.78709081
   0.05354690  0.22915208  0.59073385
   0.33852660  0.45102229  0.83109157
   0.47941984  0.43430773  0.66051682
   0.26075884  0.31459223  0.68669541
   0.26780402  0.18060415 -0.11936307
   0.02215722  0.14188843  0.94238828
   0.14160104  0.59619811  0.10254231
   0.37705909  0.70291472  0.28434542
   0.12453971  0.85397298  0.05092063
   0.35619203  0.94712936  0.35471128
   0.39507110  0.90508319  0.17352084
   0.14996427  0.84038171  0.23016799
   0.32488647  0.63683652  0.46119574
   0.06623386  0.60707283  0.39379433
   0.17227409  0.44810072  0.52699998
   0.32548204  0.69102357  0.75926855
   0.11604159  0.70782395  0.57031813
   0.38249007  0.97773591  0.79124260
   0.46992656  0.91337683  0.63197550
   0.19980742  0.92796685  0.66106751
   0.28220867  0.68388044 -0.04914374
   0.01876591  0.66513799  0.92777949
   0.59813991  0.04149176  0.11515578
   0.82968440  0.20534514  0.23445926
   0.62150848  0.27956041  0.02972952
   0.84939367  0.45701510  0.38419522
   0.03789906  0.38849994  0.19218195
   0.77325094  0.43322621  0.15823964
   0.69579844  0.17048523  0.39211054
   0.45768359  0.14762312  0.46897703
   0.64593303  0.08893450  0.58163986
   0.84990939  0.21951961  0.81361916
   0.65330780  0.33233061  0.53151951
   0.86555708  0.47232857  0.86600785
   1.02550684  0.47185932  0.69048501
   0.75609510  0.41108065  0.70365121
   0.77503857  0.07808368  0.97287348
   0.51296327  0.06496776  0.93452319
   0.56698706  0.52445478  0.06084645
   0.86129512  0.69263027  0.28953287
   0.53748351  0.79233687  0.04198198
   0.84089968  0.96385711  0.32755481
   0.91029733  0.83215398  0.15802889
   0.65643026  0.83573767  0.20842185
   0.82523937  0.70769449  0.46315306
   0.58078144  0.60063900  0.40219921
   0.66134330  0.59762990  0.57766609
   0.81295492  0.72285310  0.81718704
   0.57383802  0.83539942  0.47443794
   0.92863985  0.94921474  0.84033209
   0.94862464  0.83043165  0.67178064
   0.71883774  0.95459306  0.73638441
   0.76093824  0.66693352  0.98842388
   0.51942715  0.64438505  0.89082778
   0.71845765  0.83740714  0.59203485
   0.48497222  0.84771173  0.43788736
   0.92503229  0.27026170  0.06645604
   0.90943362  0.38415344  0.40697329
   0.34240686  0.13115648  0.63160871
   0.26410570  0.75808227  0.76719075
   0.19012172  1.11071819  0.19291734
   0.26090522  1.13784105  0.05325694
   0.61963204  0.37151955  0.86484361
   0.92382516  0.43107971  0.69715080
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877337    0.065407    0.009027
    -0.000000    9.771599   -0.071503
    -0.000000    0.000000   13.975256
   Si   O    H 
    32    64    10
Direct configuration=  2629
   0.17233237  0.20524310 -0.02275512
   0.34256416  0.11173645  0.38913556
   0.16133910  0.43853513  0.12052912
   0.39192340  0.34268087  0.25424124
   0.05952536  0.12480973  0.50308998
   0.41165444  0.11387873  0.85298858
   0.12456700  0.37297732  0.62303811
   0.40069505  0.36401743  0.74316620
   0.13681439  0.69413730  0.00499525
   0.42453984  0.60128013  0.36954921
   0.05383697  0.90809463  0.14786304
   0.31246360  0.84964084  0.26490006
   0.17180943  0.60249179  0.49110140
   0.36226288  0.61972078  0.86227960
   0.07030099  0.85977437  0.60142944
   0.34359112  0.99889702  0.68044511
   0.62073569  0.11832494  1.01401084
   0.83498386  0.12971142  0.33560238
   0.63015045  0.38548730  0.11478082
   0.89818708  0.31964831  0.16103037
   0.61451973  0.18884116  0.48870080
   0.88175203  0.10050509  0.88424834
   0.62893311  0.44192591  0.61763570
   0.75873913  0.36124352  0.81417168
   0.59399178  0.65056258 -0.00501102
   0.90332306  0.61419892  0.38025448
   0.54539451  0.89141879  0.13621412
   0.81308052  0.83949252  0.25097168
   0.66220828  0.68740504  0.47926985
   0.86591209  0.62914828  0.89698554
   0.63267130  0.94651674  0.63692789
   0.84579248  0.85254283  0.76466392
   0.07681644  0.07313965  0.16358352
   0.33498989  0.18709467  0.28616388
   0.14627994  0.35985179  0.01597130
   0.38967222  0.44436169  0.34653253
   0.54060269  0.31981106  0.20091803
   0.29505898  0.40500879  0.17626704
   0.19053514  0.13233800  0.43725958
  -0.04642356  0.18342041  0.41161441
   0.02153260 -0.03132853  0.52240352
   0.48560183  0.23501558  0.78741255
   0.05306959  0.23105699  0.59038796
   0.33917194  0.45110836  0.83229503
   0.47903315  0.43253790  0.65909273
   0.26008621  0.31689597  0.68549260
   0.26851656  0.17983039 -0.12058619
   0.02109672  0.14096245  0.94275703
   0.14085759  0.59582714  0.10165755
   0.37856522  0.70220335  0.28358364
   0.12542862  0.85610138  0.05149409
   0.35602242  0.94573878  0.35599724
   0.39468325  0.90406636  0.17291376
   0.14895290  0.83976566  0.23114719
   0.32610362  0.63625990  0.46130728
   0.06821378  0.60876326  0.39249550
   0.17263049  0.44608658  0.52681825
   0.32641304  0.69027639  0.75916641
   0.11616851  0.70638925  0.56889734
   0.37940624  0.97724714  0.79124359
   0.46962260  0.91332553  0.63173888
   0.20021013  0.92720796  0.66048123
   0.28300374  0.68223269 -0.05035893
   0.01996880  0.66486607  0.92741708
   0.59624244  0.04343188  0.11481828
   0.82861168  0.20674227  0.23387339
   0.62287642  0.27992429  0.02825116
   0.84901774  0.45651636  0.38344447
   0.03710025  0.38898576  0.19215965
   0.77345833  0.43276122  0.15852157
   0.69466397  0.17030126  0.39202351
   0.45686127  0.14753174  0.46857324
   0.64453222  0.09033561  0.58182107
   0.84769363  0.22277054  0.81328757
   0.65267753  0.33108151  0.53104983
   0.86445351  0.47286362  0.86545629
   1.02639654  0.47307917  0.68990707
   0.75599193  0.40988366  0.70442720
   0.77343770  0.07803871  0.97242756
   0.51425115  0.06523297  0.93390234
   0.56737027  0.52544631  0.06108336
   0.86161679  0.69205602  0.28860678
   0.53718229  0.79256115  0.04180088
   0.84327843  0.96282028  0.32625402
   0.91074288  0.83296371  0.15875080
   0.65625550  0.83640539  0.20878084
   0.82609420  0.71005109  0.46384124
   0.58124272  0.59954260  0.40030292
   0.66319113  0.59613223  0.57842286
   0.81373401  0.72108053  0.81501091
   0.57454973  0.83397401  0.47418590
   0.92975288  0.95142280  0.84089826
   0.94753428  0.83112649  0.67274341
   0.72083319  0.95360795  0.73648798
   0.76010353  0.66709724  0.98854485
   0.51868368  0.64465668  0.89067696
   0.71868170  0.83754187  0.59436858
   0.48429658  0.84337895  0.43556954
   0.92138584  0.26739605  0.06320182
   0.91178353  0.38549394  0.41065417
   0.33927409  0.13158919  0.62939199
   0.26034554  0.76058246  0.76603925
   0.17997862  1.10470983  0.18835929
   0.26586644  1.13485835  0.05005776
   0.62684736  0.37042059  0.86479298
   0.92265413  0.43271927  0.69371801
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876400    0.066506    0.008741
    -0.000000    9.769669   -0.069283
    -0.000000    0.000000   13.973040
   Si   O    H 
    32    64    10
Direct configuration=  2630
   0.17245463  0.20533596 -0.02302177
   0.34195008  0.11288386  0.38929984
   0.16037589  0.43778844  0.12075624
   0.39202170  0.34218617  0.25436995
   0.05921568  0.12452569  0.50312924
   0.41134836  0.11492630  0.85234139
   0.12447469  0.37158578  0.62310433
   0.39967480  0.36454908  0.74225027
   0.13763209  0.69516956  0.00588043
   0.42492744  0.60131758  0.36947823
   0.05528135  0.90911642  0.14879725
   0.31282230  0.84861047  0.26513973
   0.17073576  0.60324565  0.49108631
   0.36242833  0.61996638  0.86166414
   0.07080678  0.85953456  0.60171833
   0.34425861  0.99872795  0.68025979
   0.62103269  0.11818204  1.01420425
   0.83523754  0.12830431  0.33606260
   0.62994844  0.38669317  0.11516162
   0.89750984  0.32016748  0.16044794
   0.61514143  0.18687365  0.48845122
   0.88260284  0.09910243  0.88442314
   0.62994366  0.44220564  0.61702793
   0.76019563  0.36046935  0.81424059
   0.59467245  0.64918729 -0.00616106
   0.90286072  0.61288726  0.38039211
   0.54643805  0.89161104  0.13542903
   0.81263300  0.83885471  0.25028944
   0.66157862  0.68870092  0.47917031
   0.86642585  0.62815019  0.89647245
   0.63405182  0.94648842  0.63658106
   0.84719543  0.85181544  0.76528393
   0.07841071  0.07464151  0.16311956
   0.33600806  0.18637759  0.28523375
   0.14589489  0.35894418  0.01556535
   0.39020009  0.44454061  0.34625004
   0.53790393  0.32002632  0.20201699
   0.29310485  0.40627782  0.17548857
   0.18937686  0.13053795  0.43764124
  -0.04479980  0.18305147  0.41293654
   0.02012532 -0.03201973  0.52216832
   0.48599074  0.23525278  0.78756420
   0.05271436  0.23281313  0.58989410
   0.34041643  0.45175427  0.83362600
   0.47844792  0.43182097  0.65804924
   0.25965498  0.31907058  0.68396687
   0.26814076  0.18027441 -0.12180671
   0.02042093  0.14069541  0.94332811
   0.14055129  0.59592825  0.10030890
   0.38074659  0.70096598  0.28298468
   0.12635572  0.85801216  0.05167074
   0.35536097  0.94461773  0.35732010
   0.39385787  0.90357385  0.17230556
   0.14846213  0.83868218  0.23234870
   0.32663728  0.63620816  0.46118605
   0.07039486  0.60953459  0.39154909
   0.17321769  0.44393748  0.52745827
   0.32765812  0.68922753  0.75899822
   0.11714352  0.70581552  0.56786420
   0.37610268  0.97638057  0.79149938
   0.46954075  0.91347805  0.63207940
   0.20031055  0.92556306  0.65954315
   0.28285976  0.68077564 -0.05114966
   0.02080752  0.66424859  0.92704263
   0.59492664  0.04534977  0.11474070
   0.82809913  0.20860721  0.23341026
   0.62413215  0.27932677  0.02696194
   0.84858453  0.45517481  0.38270251
   0.03656171  0.38942322  0.19206226
   0.77307752  0.43218089  0.15890448
   0.69364766  0.17021918  0.39165834
   0.45567075  0.14795813  0.46786270
   0.64282237  0.09176794  0.58200026
   0.84469894  0.22555571  0.81257544
   0.65196519  0.33114251  0.53069104
   0.86349264  0.47355530  0.86434344
   1.02697007  0.47341981  0.68953244
   0.75575002  0.40875059  0.70453923
   0.77143151  0.07818201  0.97216581
   0.51595711  0.06481876  0.93344648
   0.56730434  0.52553991  0.06150558
   0.86138174  0.69165896  0.28744058
   0.53617498  0.79276189  0.04144260
   0.84514376  0.96140030  0.32518386
   0.91081370  0.83439787  0.15928898
   0.65684860  0.83804134  0.20994896
   0.82724784  0.71154598  0.46476368
   0.58259538  0.59834734  0.39827594
   0.66363826  0.59393527  0.57910979
   0.81440274  0.71787553  0.81264760
   0.57539434  0.83235809  0.47357733
   0.93030073  0.95296698  0.84130759
   0.94631661  0.83207047  0.67391552
   0.72187504  0.95300935  0.73709025
   0.75948594  0.66642170  0.98836425
   0.51791289  0.64453027  0.89009249
   0.72167958  0.83713316  0.59678875
   0.49318457  0.83517934  0.43825053
   0.91540913  0.26418692  0.06002932
   0.90994329  0.39125068  0.41321443
   0.33701864  0.13147145  0.63158605
   0.25383160  0.76784674  0.76705523
   0.15604876  1.09133255  0.18208839
   0.26780019  1.13160746  0.04690328
   0.63692073  0.36966411  0.86473625
   0.93150518  0.44002826  0.69044929
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875264    0.068033    0.007988
    -0.000000    9.768251   -0.067614
    -0.000000    0.000000   13.971151
   Si   O    H 
    32    64    10
Direct configuration=  2631
   0.17225459  0.20506496 -0.02301634
   0.34103422  0.11380437  0.38903546
   0.15896425  0.43668449  0.12047617
   0.39169504  0.34103945  0.25450654
   0.05953261  0.12439809  0.50290300
   0.41092375  0.11615056  0.85177571
   0.12469683  0.37061137  0.62371933
   0.39848922  0.36535291  0.74150779
   0.13850930  0.69647016  0.00663616
   0.42493069  0.60111997  0.36949626
   0.05744043  0.90972498  0.14988010
   0.31288616  0.84774953  0.26493784
   0.16952830  0.60349452  0.49111352
   0.36248776  0.62032219  0.86104750
   0.07104823  0.85843549  0.60235744
   0.34442843  0.99832680  0.68028885
   0.62144305  0.11766721  1.01397878
   0.83556977  0.12730050  0.33722893
   0.62982414  0.38789288  0.11558154
   0.89753920  0.32007776  0.15952069
   0.61501839  0.18498014  0.48843252
   0.88327175  0.09845494  0.88450883
   0.63112049  0.44246783  0.61688388
   0.76180120  0.35986211  0.81438248
   0.59493948  0.64789998 -0.00729658
   0.90299584  0.61165860  0.38100225
   0.54754074  0.89187216  0.13436189
   0.81175796  0.83812700  0.24978532
   0.66097216  0.69000827  0.47943482
   0.86713942  0.62748729  0.89603862
   0.63510004  0.94675331  0.63632912
   0.84847185  0.85265470  0.76574874
   0.07773404  0.07638327  0.16229799
   0.33611322  0.18581727  0.28448626
   0.14514947  0.35915725  0.01560571
   0.39069796  0.44392715  0.34579492
   0.53506726  0.32067841  0.20272357
   0.29187843  0.40720073  0.17546399
   0.18943240  0.12919784  0.43783290
  -0.04412409  0.18207448  0.41507173
   0.01935823 -0.03316158  0.52223563
   0.48695874  0.23414719  0.78721503
   0.05304693  0.23420714  0.58907274
   0.34172822  0.45292177  0.83497169
   0.47846470  0.43073135  0.65726294
   0.25907482  0.32156949  0.68275960
   0.26703070  0.18141319 -0.12254977
   0.01976132  0.14042616  0.94340735
   0.14023832  0.59674394  0.09870013
   0.38249350  0.70005379  0.28253382
   0.12680380  0.85953570  0.05166074
   0.35440834  0.94440293  0.35898108
   0.39318654  0.90355885  0.17175808
   0.14858879  0.83855530  0.23368654
   0.32876000  0.63628568  0.46029901
   0.07223881  0.61059093  0.39144611
   0.17369085  0.44217941  0.52796027
   0.32840860  0.68918264  0.75874909
   0.11816771  0.70615896  0.56685379
   0.37330207  0.97587082  0.79193299
   0.47020124  0.91364941  0.63225835
   0.20074335  0.92428154  0.65915775
   0.28190622  0.67954689 -0.05153909
   0.02142714  0.66426367  0.92714226
   0.59379388  0.04758925  0.11474051
   0.82736470  0.20956787  0.23248455
   0.62590514  0.27887553  0.02629760
   0.84788941  0.45461530  0.38182203
   0.03632423  0.38896165  0.19105029
   0.77266426  0.43147484  0.15892907
   0.69312298  0.17013219  0.39113221
   0.45443929  0.14851235  0.46723596
   0.64207303  0.09260306  0.58198481
   0.84254428  0.22759090  0.81238450
   0.65086195  0.33115995  0.53115543
   0.86189812  0.47364910  0.86349777
   1.02758349  0.47329567  0.68920034
   0.75463645  0.40839803  0.70436862
   0.76913382  0.07799965  0.97126916
   0.51690518  0.06516572  0.93364762
   0.56710214  0.52413090  0.06208587
   0.86072571  0.69023548  0.28684253
   0.53507159  0.79338173  0.04153240
   0.84554032  0.96021907  0.32392563
   0.91050972  0.83599030  0.15943269
   0.65667733  0.84002428  0.21227692
   0.82870508  0.71317057  0.46607228
   0.58451080  0.59765587  0.39657652
   0.66422354  0.59205871  0.57921502
   0.81466117  0.71452588  0.81019410
   0.57551576  0.83106913  0.47305932
   0.93155614  0.95417625  0.84122640
   0.94478677  0.83272127  0.67501286
   0.72358050  0.95295498  0.73764305
   0.75896786  0.66541141  0.98754939
   0.51755924  0.64423170  0.88913909
   0.72350417  0.83573623  0.59962297
   0.49360139  0.83066130  0.43804483
   0.90821314  0.26118302  0.06118854
   0.90958656  0.39559619  0.41454253
   0.33761078  0.13196279  0.63447795
   0.25465256  0.76528893  0.76702600
   0.16743304  1.08795432  0.18501294
   0.26770727  1.12962417  0.04308396
   0.64044824  0.37070165  0.86505609
   0.94159326  0.45111183  0.68814520
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874674    0.070104    0.007514
    -0.000000    9.766574   -0.065753
    -0.000000    0.000000   13.969433
   Si   O    H 
    32    64    10
Direct configuration=  2632
   0.17191000  0.20431772 -0.02316230
   0.34001135  0.11361087  0.38903996
   0.15768748  0.43541035  0.12009228
   0.39161879  0.33992445  0.25445074
   0.05972878  0.12425751  0.50237608
   0.41093198  0.11694205  0.85109655
   0.12481466  0.36982972  0.62491631
   0.39716376  0.36526415  0.74097173
   0.13951141  0.69785789  0.00719850
   0.42459467  0.60100741  0.36914463
   0.05989698  0.90981779  0.15066857
   0.31285022  0.84707774  0.26452622
   0.16861764  0.60337007  0.49082492
   0.36253565  0.61990639  0.86014426
   0.07112921  0.85709470  0.60264315
   0.34425191  0.99703130  0.68033597
   0.62185091  0.11765764  1.01346118
   0.83512530  0.12640181  0.33837421
   0.62930115  0.38949898  0.11561478
   0.89765716  0.31972680  0.15876298
   0.61449712  0.18309259  0.48884446
   0.88402566  0.09738513  0.88481404
   0.63251126  0.44210953  0.61698310
   0.76332335  0.35970608  0.81422100
   0.59470200  0.64687671 -0.00821236
   0.90253961  0.61045578  0.38126904
   0.54892127  0.89187698  0.13298626
   0.81097216  0.83712348  0.24908257
   0.66040465  0.69103910  0.47951008
   0.86751231  0.62700563  0.89607366
   0.63621713  0.94648482  0.63611413
   0.84992352  0.85459137  0.76648852
   0.07703046  0.07808681  0.16142955
   0.33587503  0.18561196  0.28390914
   0.14458210  0.35962618  0.01529911
   0.39084239  0.44387360  0.34521083
   0.53387190  0.32079264  0.20358710
   0.29191076  0.40777939  0.17585281
   0.18922950  0.12809824  0.43768414
  -0.04388065  0.18161159  0.41700822
   0.01930140 -0.03399530  0.52186223
   0.48673734  0.23338043  0.78622061
   0.05305288  0.23495704  0.58847074
   0.34322662  0.45373471  0.83632946
   0.47899434  0.43025534  0.65644455
   0.25798091  0.32451275  0.68163730
   0.26585082  0.18309918 -0.12285414
   0.01967842  0.14028813  0.94404656
   0.14041774  0.59752408  0.09729480
   0.38410117  0.69966836  0.28198808
   0.12710214  0.86001730  0.05086509
   0.35383106  0.94460512  0.36078295
   0.39212645  0.90401298  0.17172549
   0.14989730  0.83811778  0.23491473
   0.32971473  0.63581538  0.45999189
   0.07376458  0.61176198  0.39221713
   0.17392459  0.44104592  0.52783294
   0.32859132  0.68929602  0.75883663
   0.12038865  0.70781252  0.56659799
   0.37081263  0.97605238  0.79274231
   0.47082515  0.91404881  0.63198151
   0.20088213  0.92275203  0.65908310
   0.28049950  0.67931098 -0.05197768
   0.02151835  0.66486557  0.92766096
   0.59357981  0.04996126  0.11429349
   0.82720304  0.20947379  0.23246032
   0.62734276  0.27814039  0.02622271
   0.84764702  0.45449446  0.38032875
   0.03649579  0.38846922  0.18958612
   0.77252052  0.43183254  0.15883671
   0.69261588  0.16929356  0.38979432
   0.45347171  0.14821987  0.46647059
   0.64127620  0.09349419  0.58175957
   0.84141491  0.22843159  0.81268148
   0.64919365  0.33190545  0.53142492
   0.86079939  0.47350002  0.86264124
   1.02894053  0.47355098  0.68868941
   0.75281013  0.40851148  0.70418759
   0.76721943  0.07727625  0.97023680
   0.51769371  0.06555277  0.93344796
   0.56623888  0.52280854  0.06261146
   0.85925370  0.68926458  0.28599034
   0.53471261  0.79382359  0.04172941
   0.84569703  0.95937865  0.32262491
   0.90972866  0.83826263  0.15958271
   0.65678742  0.84068352  0.21432466
   0.83015790  0.71417844  0.46715536
   0.58647694  0.59768937  0.39499137
   0.66490748  0.59083053  0.57962241
   0.81521543  0.71131571  0.80814366
   0.57604151  0.82929217  0.47187046
   0.93300582  0.95457700  0.84068712
   0.94425918  0.83291908  0.67574962
   0.72439552  0.95338043  0.73786064
   0.75855895  0.66430888  0.98646681
   0.51763031  0.64390108  0.88884334
   0.72267645  0.83550857  0.59934156
   0.48569929  0.83020838  0.43692357
   0.90054591  0.26173346  0.06229542
   0.91255317  0.39574278  0.41732995
   0.34019163  0.13103092  0.63702132
   0.26502275  0.75505919  0.76720792
   0.18203370  1.08822151  0.18910035
   0.26965426  1.13007009  0.04201207
   0.64076911  0.37387510  0.86806534
   0.92438623  0.45973649  0.68677939
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874019    0.071971    0.006990
    -0.000000    9.764962   -0.064075
    -0.000000    0.000000   13.967854
   Si   O    H 
    32    64    10
Direct configuration=  2633
   0.17137113  0.20296933 -0.02364236
   0.33955199  0.11378945  0.38937135
   0.15630537  0.43313789  0.11962760
   0.39181775  0.33934985  0.25447703
   0.05959836  0.12407440  0.50181384
   0.41079647  0.11780586  0.85063032
   0.12500661  0.36908314  0.62635794
   0.39589408  0.36529660  0.74034703
   0.14033778  0.69841593  0.00799374
   0.42428366  0.60104511  0.36866066
   0.06207262  0.90965446  0.15152110
   0.31249801  0.84659744  0.26442662
   0.16761178  0.60290030  0.49065825
   0.36193024  0.61940651  0.85941182
   0.07127324  0.85611513  0.60327583
   0.34348258  0.99546282  0.68052681
   0.62246821  0.11754644  1.01237993
   0.83479819  0.12591791  0.34013393
   0.62798030  0.39086732  0.11616399
   0.89824510  0.31922952  0.15878780
   0.61394319  0.18212530  0.48943899
   0.88488627  0.09622793  0.88542242
   0.63441071  0.44149235  0.61734349
   0.76476698  0.36006819  0.81375679
   0.59441828  0.64667477 -0.00952333
   0.90289878  0.60960022  0.38124249
   0.54998451  0.89185824  0.13170630
   0.81027892  0.83566598  0.24838106
   0.66032011  0.69173228  0.47978539
   0.86767669  0.62696874  0.89662994
   0.63765297  0.94656615  0.63585617
   0.85092399  0.85748098  0.76723052
   0.07753054  0.07974860  0.16076912
   0.33604694  0.18570911  0.28370310
   0.14431323  0.35985225  0.01440440
   0.39072359  0.44355877  0.34503769
   0.53368348  0.32061247  0.20370487
   0.29128699  0.40899959  0.17615450
   0.18900809  0.12709798  0.43735622
  -0.04368118  0.18127228  0.41877096
   0.01910447 -0.03445721  0.52080095
   0.48639900  0.23318157  0.78513721
   0.05270497  0.23469892  0.58755782
   0.34442688  0.45609219  0.83735760
   0.47915434  0.43115582  0.65584464
   0.25801396  0.32720526  0.68089128
   0.26493688  0.18492334 -0.12294872
   0.02062373  0.14085000  0.94462725
   0.14090926  0.59761878  0.09610243
   0.38574706  0.69839347  0.28154477
   0.12780820  0.85997885  0.04944332
   0.35349135  0.94446605  0.36227614
   0.39082280  0.90533206  0.17235371
   0.15229320  0.83749963  0.23617655
   0.32994584  0.63562308  0.45986489
   0.07474081  0.61239333  0.39355173
   0.17433907  0.44031930  0.52768557
   0.32962015  0.68877844  0.75889723
   0.12210669  0.70968274  0.56675290
   0.36825644  0.97564437  0.79339909
   0.47179094  0.91376885  0.63159591
   0.20061053  0.92122251  0.65883995
   0.27903751  0.67903955 -0.05259833
   0.02159266  0.66608070  0.92766498
   0.59357158  0.05146505  0.11413138
   0.82713394  0.20958572  0.23332051
   0.62807993  0.27782236  0.02666979
   0.84764562  0.45415123  0.37903232
   0.03716742  0.38850347  0.18902947
   0.77236214  0.43231067  0.15896399
   0.69195446  0.16741665  0.38919105
   0.45258147  0.14818764  0.46573240
   0.64039870  0.09404834  0.58174629
   0.84088261  0.22754711  0.81314650
   0.64832843  0.33281307  0.53170993
   0.86052449  0.47295376  0.86168506
   1.02922913  0.47346681  0.68864141
   0.75125073  0.40891371  0.70320240
   0.76532687  0.07680872  0.96876581
   0.51765371  0.06565990  0.93330839
   0.56446125  0.52132683  0.06342152
   0.85866184  0.68799109  0.28445125
   0.53417073  0.79420817  0.04194175
   0.84543099  0.95828386  0.32121308
   0.90949373  0.84109524  0.15938050
   0.65681240  0.84092104  0.21622101
   0.83126864  0.71511433  0.46806899
   0.58821820  0.59792832  0.39379108
   0.66528981  0.58957672  0.58014840
   0.81510464  0.70807933  0.80598553
   0.57591151  0.82829427  0.47062911
   0.93447796  0.95473246  0.84035431
   0.94402587  0.83311624  0.67635597
   0.72460133  0.95394526  0.73811901
   0.75782089  0.66366463  0.98473607
   0.51835410  0.64370071  0.88813421
   0.71697927  0.83578577  0.59654988
   0.48374781  0.83290832  0.44141274
   0.89724301  0.26317231  0.06197089
   0.91244540  0.39746950  0.41943675
   0.34411522  0.13075838  0.63802553
   0.26064237  0.76124668  0.76588887
   0.17773205  1.08890832  0.19077547
   0.26565510  1.12882269  0.03997704
   0.63878834  0.37578698  0.87151720
   0.91286030  0.46887979  0.68660768
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873664    0.073631    0.006216
    -0.000000    9.763738   -0.062483
    -0.000000    0.000000   13.965922
   Si   O    H 
    32    64    10
Direct configuration=  2634
   0.17051046  0.20157884 -0.02414568
   0.33839136  0.11277098  0.39002134
   0.15462637  0.43144762  0.11866246
   0.39222270  0.33871839  0.25413353
   0.05953896  0.12348620  0.50132263
   0.40999075  0.11863503  0.84998631
   0.12441352  0.36839143  0.62738540
   0.39477319  0.36562054  0.73969279
   0.14072145  0.69882657  0.00839723
   0.42453743  0.60063925  0.36835453
   0.06415616  0.90997226  0.15220928
   0.31269156  0.84610770  0.26438473
   0.16733516  0.60234944  0.49049129
   0.36172001  0.61907274  0.85866285
   0.07118981  0.85635523  0.60353667
   0.34271921  0.99330817  0.68097423
   0.62288514  0.11710681  1.01117864
   0.83497603  0.12578518  0.34197422
   0.62639947  0.39203051  0.11687377
   0.89902513  0.31864275  0.15898762
   0.61270808  0.18116504  0.49007757
   0.88545431  0.09523508  0.88610956
   0.63550425  0.44108836  0.61822047
   0.76584721  0.36045148  0.81371707
   0.59408711  0.64731977 -0.01016733
   0.90338673  0.60961105  0.38133150
   0.55019986  0.89195408  0.13066305
   0.81044407  0.83417231  0.24796636
   0.66026716  0.69133219  0.48009681
   0.86737987  0.62753785  0.89748033
   0.63925424  0.94625512  0.63568528
   0.85225657  0.86020649  0.76802229
   0.07905749  0.08090911  0.16040319
   0.33632803  0.18570208  0.28359118
   0.14290309  0.35990383  0.01333526
   0.39024006  0.44221198  0.34473514
   0.53381725  0.32067603  0.20359345
   0.29102341  0.41032407  0.17716732
   0.18991714  0.12592686  0.43687868
  -0.04441355  0.18087266  0.42018136
   0.01936399 -0.03458169  0.52023187
   0.48552161  0.23325685  0.78401154
   0.05212134  0.23340674  0.58700772
   0.34604951  0.45816975  0.83838510
   0.47965521  0.43242791  0.65591733
   0.25874581  0.32977575  0.68066764
   0.26378960  0.18607082 -0.12222863
   0.02175275  0.14129191  0.94452285
   0.14145420  0.59679359  0.09541140
   0.38680551  0.69788714  0.28156794
   0.12744122  0.86056126  0.04761531
   0.35301335  0.94494984  0.36384317
   0.39047239  0.90547389  0.17282897
   0.15357561  0.83685201  0.23767130
   0.32997587  0.63572167  0.46053982
   0.07500059  0.61296122  0.39511306
   0.17460117  0.43983935  0.52801787
   0.33085436  0.68850829  0.75887220
   0.12363734  0.71141473  0.56784395
   0.36664165  0.97632917  0.79419927
   0.47216045  0.91333762  0.63160603
   0.20003158  0.91968858  0.65859160
   0.27748819  0.67856672 -0.05245441
   0.02185570  0.66689597  0.92724653
   0.59361583  0.05308005  0.11376053
   0.82759455  0.20927339  0.23486908
   0.62871707  0.27797419  0.02736250
   0.84764270  0.45342242  0.37768250
   0.03843771  0.38857562  0.18836175
   0.77275367  0.43300621  0.15923422
   0.69163476  0.16630167  0.38903668
   0.45243222  0.14895364  0.46471414
   0.63985036  0.09405258  0.58235393
   0.84045034  0.22549512  0.81376097
   0.64723176  0.33391256  0.53132148
   0.86119451  0.47259397  0.86124934
   1.02857109  0.47433094  0.68888262
   0.74914740  0.40966726  0.70193642
   0.76455221  0.07542789  0.96745956
   0.51796744  0.06556644  0.93282695
   0.56294945  0.52018649  0.06404761
   0.85769138  0.68639447  0.28307239
   0.53510328  0.79522902  0.04194372
   0.84592634  0.95768171  0.31992348
   0.90948631  0.84451027  0.15889041
   0.65635244  0.84078739  0.21788281
   0.83194921  0.71496394  0.46819580
   0.58987926  0.59794477  0.39260763
   0.66522222  0.58931553  0.58004586
   0.81469288  0.70556952  0.80391883
   0.57604205  0.82849242  0.46931170
   0.93549804  0.95442377  0.83928998
   0.94371419  0.83371890  0.67639858
   0.72430629  0.95494665  0.73831788
   0.75768705  0.66203250  0.98319015
   0.51941374  0.64272885  0.88751421
   0.71284773  0.83432861  0.59059400
   0.48736198  0.83797705  0.44846938
   0.89606978  0.26387320  0.05881331
   0.90383706  0.40263810  0.41747458
   0.34991920  0.13085415  0.63895829
   0.26069926  0.76818872  0.76304848
   0.16167273  1.09120447  0.18800597
   0.26088387  1.12544620  0.03935695
   0.63919540  0.37808793  0.87260832
   0.92110167  0.47439207  0.68988893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873124    0.075279    0.004984
    -0.000000    9.762466   -0.060459
    -0.000000    0.000000   13.964333
   Si   O    H 
    32    64    10
Direct configuration=  2635
   0.16997073  0.20082173 -0.02486044
   0.33750280  0.11120960  0.39025945
   0.15288309  0.43066520  0.11753652
   0.39262983  0.33812529  0.25367431
   0.05919033  0.12325747  0.50071369
   0.40916067  0.11918211  0.84963961
   0.12404408  0.36804622  0.62851445
   0.39351391  0.36608071  0.73955979
   0.14130240  0.69929835  0.00856837
   0.42489118  0.59997153  0.36808464
   0.06638754  0.91034804  0.15283643
   0.31325861  0.84489534  0.26447971
   0.16778209  0.60205053  0.49088671
   0.36205838  0.61888409  0.85778721
   0.07087016  0.85655890  0.60381222
   0.34258217  0.99099985  0.68112773
   0.62397084  0.11685277  1.01019157
   0.83609745  0.12650878  0.34361648
   0.62551865  0.39268681  0.11755041
   0.89898168  0.31813167  0.15882388
   0.61134939  0.18047555  0.49053571
   0.88648857  0.09472102  0.88689899
   0.63661156  0.44023294  0.61948834
   0.76673455  0.36122021  0.81386870
   0.59324993  0.64822487 -0.01076787
   0.90377146  0.61028828  0.38104452
   0.55025116  0.89275723  0.13020366
   0.81065294  0.83314684  0.24806994
   0.66031453  0.69073427  0.48095853
   0.86737972  0.62872018  0.89881142
   0.64054543  0.94607267  0.63540835
   0.85337955  0.86262598  0.76858849
   0.07916753  0.08111330  0.15976488
   0.33639357  0.18702906  0.28314270
   0.14215629  0.35907230  0.01236546
   0.39000910  0.44089659  0.34398877
   0.53403951  0.31984178  0.20268268
   0.29078169  0.41088298  0.17804815
   0.19207282  0.12498673  0.43591790
  -0.04610044  0.17943909  0.42154638
   0.01962254 -0.03562318  0.51995869
   0.48498270  0.23385182  0.78285599
   0.05092234  0.23163506  0.58706335
   0.34793869  0.45963341  0.83873247
   0.48094233  0.43276459  0.65609240
   0.26022333  0.33151686  0.68078317
   0.26174997  0.18722084 -0.12147064
   0.02272917  0.14169123  0.94432286
   0.14182591  0.59475116  0.09481705
   0.38764513  0.69689151  0.28067874
   0.12655213  0.86065934  0.04580804
   0.35164726  0.94539662  0.36522030
   0.38988195  0.90606363  0.17336018
   0.15484279  0.83571540  0.23915799
   0.32901580  0.63545643  0.46111742
   0.07492442  0.61354738  0.39658504
   0.17427896  0.44015932  0.52840074
   0.33211183  0.68894070  0.75857648
   0.12523574  0.71340572  0.56914715
   0.36496615  0.97745546  0.79500964
   0.47268512  0.91269813  0.63230286
   0.20023208  0.91906667  0.65809023
   0.27647928  0.67872745 -0.05204798
   0.02241691  0.66761023  0.92643229
   0.59339516  0.05410555  0.11366201
   0.82869954  0.20901397  0.23660252
   0.62907969  0.27803659  0.02750745
   0.84733825  0.45300691  0.37641123
   0.03931215  0.38825463  0.18837555
   0.77275332  0.43355744  0.15904798
   0.69184135  0.16514356  0.38883153
   0.45211579  0.15037402  0.46414792
   0.63916138  0.09408263  0.58292039
   0.84045316  0.22196549  0.81420197
   0.64647310  0.33496844  0.53121064
   0.86140641  0.47205240  0.86107614
   1.02710450  0.47517204  0.68857912
   0.74715514  0.41101076  0.70101106
   0.76517409  0.07303218  0.96598553
   0.51777372  0.06614649  0.93183891
   0.56168652  0.51991821  0.06418550
   0.85709758  0.68533764  0.28208089
   0.53620167  0.79520677  0.04157571
   0.84639061  0.95782336  0.31914688
   0.90974540  0.84751661  0.15877330
   0.65538058  0.84047250  0.21854634
   0.83240737  0.71490020  0.46820659
   0.59144545  0.59779586  0.39126381
   0.66485956  0.58935116  0.58026954
   0.81353789  0.70403230  0.80229053
   0.57660871  0.82892689  0.46836876
   0.93713580  0.95445138  0.83848450
   0.94439183  0.83414018  0.67670302
   0.72304327  0.95474533  0.73763278
   0.75812246  0.66105361  0.98192122
   0.52094211  0.64239095  0.88699385
   0.71077270  0.83349807  0.58430709
   0.48080788  0.84198929  0.44893880
   0.89531091  0.26176595  0.05991538
   0.89951016  0.39605677  0.42081149
   0.35584524  0.12620817  0.63947596
   0.27221732  0.76899420  0.75906148
   0.16348413  1.09735578  0.19043144
   0.25652401  1.11900861  0.04039708
   0.63966429  0.38027456  0.87240040
   0.94218583  0.47826629  0.69228767
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872607    0.076923    0.003303
    -0.000000    9.761372   -0.058022
    -0.000000    0.000000   13.963311
   Si   O    H 
    32    64    10
Direct configuration=  2636
   0.17014122  0.19942946 -0.02556935
   0.33679817  0.11000798  0.39019045
   0.15147592  0.43036317  0.11647074
   0.39253560  0.33788099  0.25302012
   0.05862373  0.12331132  0.50009952
   0.40821777  0.11997446  0.84945845
   0.12246463  0.36785261  0.62930188
   0.39239839  0.36698316  0.73937592
   0.14179121  0.69975348  0.00866522
   0.42527420  0.59964800  0.36787786
   0.06854040  0.91079235  0.15335318
   0.31362894  0.84408067  0.26474723
   0.16875982  0.60156907  0.49109256
   0.36265685  0.61859142  0.85720879
   0.07033291  0.85627948  0.60430240
   0.34229896  0.98917698  0.68098398
   0.62500166  0.11626323  1.00919522
   0.83707116  0.12701958  0.34526751
   0.62419701  0.39327070  0.11831642
   0.89858337  0.31735924  0.15860532
   0.60998279  0.17990244  0.49084270
   0.88780816  0.09451755  0.88730594
   0.63739830  0.43920274  0.62081816
   0.76766650  0.36170245  0.81379157
   0.59229116  0.64903133 -0.01137182
   0.90417245  0.61154198  0.38113444
   0.55007760  0.89400362  0.12985494
   0.81096783  0.83228057  0.24822539
   0.66142198  0.68948441  0.48191837
   0.86764560  0.62978382  0.89994917
   0.64120636  0.94590589  0.63513742
   0.85437994  0.86446707  0.76881365
   0.07872092  0.08052246  0.15849409
   0.33613040  0.18893950  0.28352551
   0.14187747  0.35791765  0.01179560
   0.38997669  0.43908558  0.34341169
   0.53504465  0.31853261  0.20180459
   0.29073452  0.41279679  0.17907107
   0.19378414  0.12470138  0.43539758
  -0.04793667  0.17819692  0.42305201
   0.01963304 -0.03651914  0.51992604
   0.48522092  0.23451120  0.78152459
   0.05009901  0.22891354  0.58745699
   0.34971865  0.46000646  0.83871017
   0.48222849  0.43363125  0.65585725
   0.26150179  0.33227008  0.68109716
   0.25985014  0.18744200 -0.12126340
   0.02347255  0.14162573  0.94440533
   0.14280195  0.59163539  0.09477105
   0.38767680  0.69637238  0.27995010
   0.12569330  0.86006783  0.04456760
   0.35039415  0.94522817  0.36609522
   0.38990458  0.90567918  0.17407853
   0.15585424  0.83507126  0.24050927
   0.32793709  0.63554283  0.46119565
   0.07522687  0.61422026  0.39724562
   0.17457323  0.44106756  0.52921802
   0.33345995  0.68955922  0.75790074
   0.12717951  0.71443955  0.57038386
   0.36350541  0.97753620  0.79596590
   0.47323433  0.91198435  0.63304712
   0.20094812  0.91863396  0.65819050
   0.27605253  0.67933425 -0.05188209
   0.02243007  0.66763448  0.92561108
   0.59296650  0.05423552  0.11259147
   0.82970324  0.20838051  0.23857384
   0.62904007  0.27803210  0.02727051
   0.84698558  0.45281440  0.37524167
   0.04030294  0.38753829  0.18849635
   0.77307926  0.43309122  0.15847956
   0.69091839  0.16340262  0.38875775
   0.45254873  0.15197950  0.46353049
   0.63883192  0.09499781  0.58379014
   0.84136626  0.21781922  0.81460927
   0.64524477  0.33625972  0.53084193
   0.86147949  0.47173237  0.86115604
   1.02781020  0.47587907  0.68775160
   0.74551923  0.41141088  0.69985543
   0.76626715  0.06987057  0.96463657
   0.51695807  0.06661736  0.93089830
   0.56098002  0.52008859  0.06437298
   0.85717395  0.68448354  0.28134364
   0.53755735  0.79378324  0.04098775
   0.84688927  0.95803836  0.31821383
   0.91055287  0.85085929  0.15864791
   0.65404505  0.83987585  0.21867185
   0.83212809  0.71469887  0.46837014
   0.59273426  0.59767534  0.39023724
   0.66430616  0.59105557  0.58025156
   0.81251001  0.70283612  0.80077712
   0.57601449  0.82972843  0.46744330
   0.93814754  0.95416645  0.83786959
   0.94522514  0.83402186  0.67655306
   0.72178994  0.95458042  0.73703293
   0.75778780  0.65995770  0.98158221
   0.52255289  0.64272385  0.88590542
   0.71134404  0.83749422  0.58067184
   0.47978283  0.84612285  0.45125217
   0.89666511  0.25893220  0.06296270
   0.89870745  0.38746702  0.42429312
   0.35496573  0.12191069  0.64221869
   0.28221344  0.76887781  0.75369678
   0.16884870  1.10285534  0.19482074
   0.25129618  1.11463567  0.04286335
   0.64136237  0.37609523  0.87018954
   0.92759877  0.48245600  0.69625589
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872391    0.078767    0.001673
    -0.000000    9.760401   -0.055627
    -0.000000    0.000000   13.962359
   Si   O    H 
    32    64    10
Direct configuration=  2637
   0.17084895  0.19746584 -0.02615138
   0.33591709  0.10868320  0.39026700
   0.15038758  0.43034893  0.11569210
   0.39185415  0.33796435  0.25221190
   0.05794577  0.12332260  0.49991613
   0.40709174  0.12119560  0.84941294
   0.12078639  0.36826864  0.62969642
   0.39156071  0.36784424  0.73906985
   0.14165061  0.70052591  0.00829934
   0.42561549  0.59944285  0.36756077
   0.06985433  0.91089176  0.15371465
   0.31418176  0.84337715  0.26525367
   0.17053892  0.60124452  0.49129003
   0.36329126  0.61935376  0.85661596
   0.06972836  0.85617192  0.60524829
   0.34182976  0.98733560  0.68089161
   0.62587022  0.11536343  1.00829033
   0.83814220  0.12749483  0.34625314
   0.62328233  0.39382682  0.11886851
   0.89791095  0.31684858  0.15876954
   0.60798811  0.17944562  0.49103357
   0.88914740  0.09436971  0.88814953
   0.63871591  0.43828964  0.62202667
   0.76804609  0.36221874  0.81406757
   0.59107050  0.64977746 -0.01188117
   0.90401255  0.61277264  0.38146790
   0.54959318  0.89551161  0.13050490
   0.81092648  0.83128213  0.24860861
   0.66287519  0.68727761  0.48310277
   0.86808609  0.63031688  0.90075436
   0.64136991  0.94598373  0.63438998
   0.85495905  0.86544455  0.76856492
   0.07802277  0.08029673  0.15747181
   0.33534076  0.19087018  0.28422519
   0.14262904  0.35643338  0.01125737
   0.38934585  0.43783624  0.34335197
   0.53570348  0.31797715  0.20100296
   0.29057060  0.41511318  0.17997394
   0.19465922  0.12467231  0.43477012
  -0.04952388  0.17710022  0.42461550
   0.02026031 -0.03737882  0.52029997
   0.48482667  0.23530287  0.78050874
   0.05008198  0.22666145  0.58827964
   0.35161125  0.45916517  0.83875843
   0.48364657  0.43478038  0.65564297
   0.26237998  0.33307327  0.68142291
   0.25836271  0.18714732 -0.12079179
   0.02397246  0.14162019  0.94448741
   0.14322141  0.58966787  0.09437156
   0.38744995  0.69512335  0.27896014
   0.12401218  0.85817671  0.04357949
   0.34890562  0.94456253  0.36652430
   0.39062356  0.90584977  0.17466059
   0.15641871  0.83460239  0.24181121
   0.32714332  0.63572706  0.46102101
   0.07493862  0.61406788  0.39772286
   0.17471569  0.44260264  0.52985625
   0.33544259  0.68960966  0.75783979
   0.12947556  0.71576660  0.57075090
   0.36170851  0.97782890  0.79632842
   0.47341736  0.91153628  0.63336951
   0.20256348  0.91810314  0.65798409
   0.27562042  0.67888774 -0.05194297
   0.02346302  0.66758405  0.92483404
   0.59193215  0.05425120  0.11164843
   0.83122967  0.20762116  0.24098607
   0.62954017  0.27846398  0.02722562
   0.84690154  0.45322269  0.37489010
   0.04121601  0.38647387  0.18867521
   0.77366559  0.43249341  0.15778415
   0.68998640  0.16195785  0.38860807
   0.45256303  0.15371516  0.46297640
   0.63932448  0.09503000  0.58466752
   0.84264895  0.21345682  0.81445856
   0.64402027  0.33760349  0.53007651
   0.86154817  0.47151286  0.86162500
   1.02840875  0.47564117  0.68640815
   0.74433478  0.41088934  0.69927707
   0.76749224  0.06713366  0.96361149
   0.51566422  0.06648891  0.92951063
   0.56006288  0.52138813  0.06406620
   0.85771673  0.68274754  0.28103551
   0.53918185  0.79241792  0.04020344
   0.84703921  0.95906438  0.31746535
   0.91207366  0.85462745  0.15807570
   0.65253021  0.83894087  0.21828880
   0.83151770  0.71469312  0.46802458
   0.59330821  0.59784777  0.38946384
   0.66356176  0.59244606  0.58063529
   0.81085878  0.70271906  0.79968197
   0.57466159  0.83077621  0.46602355
   0.93889917  0.95429658  0.83772977
   0.94594191  0.83386855  0.67609531
   0.72190462  0.95354006  0.73667308
   0.75755970  0.65881403  0.98158782
   0.52384199  0.64313335  0.88459056
   0.71287958  0.84695150  0.58241242
   0.47892759  0.85021805  0.45186498
   0.90089816  0.25349635  0.06602058
   0.89445247  0.38142792  0.42100532
   0.35165874  0.12412815  0.64318006
   0.28931820  0.77881866  0.74713396
   0.16538789  1.10554268  0.19463962
   0.24505519  1.10955726  0.04677961
   0.64377688  0.37195709  0.86855663
   0.92174966  0.48394962  0.70120972
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873128    0.080600    0.000067
    -0.000000    9.759554   -0.053076
    -0.000000    0.000000   13.961320
   Si   O    H 
    32    64    10
Direct configuration=  2638
   0.17084574  0.19536361 -0.02679259
   0.33537360  0.10742778  0.39029196
   0.14916361  0.43036673  0.11535341
   0.39125090  0.33755306  0.25101258
   0.05770983  0.12289195  0.49939647
   0.40681427  0.12212393  0.84910046
   0.11896586  0.36891642  0.62976563
   0.39105633  0.36871599  0.73930497
   0.14089036  0.70079400  0.00755216
   0.42603073  0.59902851  0.36726443
   0.07129979  0.91049878  0.15397577
   0.31496962  0.84292203  0.26591594
   0.17259291  0.60105049  0.49112458
   0.36398011  0.62077516  0.85606965
   0.06951746  0.85593450  0.60638576
   0.34163158  0.98537612  0.68075012
   0.62680147  0.11480616  1.00716443
   0.83925005  0.12707779  0.34690316
   0.62298127  0.39423673  0.11967837
   0.89689616  0.31594203  0.15906910
   0.60666092  0.17872670  0.49157445
   0.89018428  0.09465943  0.88870248
   0.63998711  0.43778515  0.62309610
   0.76797274  0.36270466  0.81455576
   0.58985595  0.65024476 -0.01156938
   0.90414171  0.61396514  0.38200114
   0.54871421  0.89701307  0.13080783
   0.81028445  0.83068544  0.24912174
   0.66415474  0.68580361  0.48392570
   0.86802257  0.63016632  0.90100000
   0.64082056  0.94619074  0.63337984
   0.85502585  0.86589336  0.76800743
   0.07857898  0.08082093  0.15677751
   0.33488744  0.19192105  0.28529937
   0.14330034  0.35512550  0.01070768
   0.38815492  0.43681540  0.34341076
   0.53690310  0.31764148  0.20046260
   0.28985305  0.41669999  0.18069728
   0.19504345  0.12522916  0.43452815
  -0.05098421  0.17572550  0.42511095
   0.02137597 -0.03818442  0.52051246
   0.48457697  0.23553085  0.77963630
   0.05013356  0.22460232  0.58923798
   0.35386450  0.45728064  0.83857233
   0.48473815  0.43541083  0.65531155
   0.26300928  0.33362076  0.68157601
   0.25735198  0.18742677 -0.12044361
   0.02331688  0.14201918  0.94495509
   0.14334697  0.58794242  0.09432294
   0.38680956  0.69494968  0.27778558
   0.12254790  0.85669562  0.04259129
   0.34748304  0.94394567  0.36659660
   0.39210408  0.90555949  0.17513164
   0.15678228  0.83500683  0.24264819
   0.32712730  0.63646124  0.46001004
   0.07459434  0.61391025  0.39803906
   0.17468028  0.44475587  0.53139420
   0.33619136  0.68993057  0.75722688
   0.13155323  0.71668260  0.57060716
   0.36094827  0.97855408  0.79666196
   0.47420579  0.91164434  0.63396776
   0.20420481  0.91752691  0.65788678
   0.27524508  0.67793740 -0.05243738
   0.02422971  0.66701831  0.92463346
   0.59037057  0.05366473  0.11079583
   0.83272545  0.20793503  0.24350836
   0.63103430  0.27901983  0.02750482
   0.84692073  0.45455929  0.37524419
   0.04238500  0.38484479  0.18894287
   0.77416728  0.43204078  0.15642571
   0.68864863  0.16119987  0.38916496
   0.45290214  0.15564665  0.46288927
   0.64033822  0.09522001  0.58490252
   0.84343655  0.20921826  0.81426699
   0.64264034  0.33761199  0.52938702
   0.86222633  0.47161897  0.86262978
   1.02775905  0.47485018  0.68525333
   0.74305572  0.40928437  0.69928870
   0.76874013  0.06427467  0.96300582
   0.51381986  0.06668677  0.92813015
   0.55934622  0.52257893  0.06299058
   0.85858800  0.68042045  0.28090273
   0.54109134  0.79113251  0.03962233
   0.84782577  0.95940768  0.31731969
   0.91368904  0.85834117  0.15709684
   0.65068088  0.83799173  0.21779662
   0.83062839  0.71405348  0.46712592
   0.59290812  0.59864932  0.38934474
   0.66306733  0.59337179  0.58100807
   0.80917038  0.70371988  0.79899054
   0.57412566  0.83159570  0.46525153
   0.94037773  0.95465588  0.83786983
   0.94638844  0.83352624  0.67567758
   0.72267688  0.95189584  0.73663771
   0.75726177  0.65815072  0.98178817
   0.52520939  0.64290276  0.88377611
   0.71966139  0.85428882  0.58285341
   0.47766985  0.85196499  0.45437751
   0.90490173  0.24741909  0.06759637
   0.88257337  0.38232920  0.41359580
   0.34698051  0.12778005  0.64261185
   0.29841501  0.78399799  0.74105006
   0.15244694  1.10659615  0.19130280
   0.23885921  1.10727895  0.04859653
   0.64316421  0.37220040  0.86668377
   0.92701276  0.48325275  0.70016515
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873743    0.082543   -0.001013
    -0.000000    9.758951   -0.050984
    -0.000000    0.000000   13.960475
   Si   O    H 
    32    64    10
Direct configuration=  2639
   0.17103179  0.19351039 -0.02712099
   0.33473598  0.10623703  0.39046274
   0.14885791  0.42996662  0.11473757
   0.39056048  0.33698881  0.25024031
   0.05723833  0.12248895  0.49881806
   0.40665414  0.12279685  0.84900069
   0.11758694  0.36961818  0.62972990
   0.39039645  0.37035053  0.73972121
   0.13984589  0.70097332  0.00675584
   0.42679663  0.59862972  0.36690282
   0.07214497  0.90980015  0.15462223
   0.31578411  0.84311046  0.26651851
   0.17497058  0.60117444  0.49104797
   0.36471551  0.62184655  0.85580377
   0.06873368  0.85590198  0.60759164
   0.34154861  0.98401310  0.68064297
   0.62715956  0.11432965  1.00554048
   0.84022965  0.12686956  0.34773732
   0.62378922  0.39472955  0.11999785
   0.89560082  0.31538052  0.15947487
   0.60591691  0.17859854  0.49156259
   0.89166708  0.09509226  0.88910461
   0.64079194  0.43829446  0.62324240
   0.76853892  0.36311799  0.81538686
   0.58870650  0.65069052 -0.01103896
   0.90400100  0.61478147  0.38265243
   0.54798160  0.89829512  0.13137377
   0.81005065  0.83047472  0.24949875
   0.66492131  0.68410049  0.48461937
   0.86808657  0.62977559  0.90108922
   0.64031789  0.94545600  0.63270326
   0.85468329  0.86619756  0.76719852
   0.07831920  0.08072411  0.15630549
   0.33292010  0.19298948  0.28696026
   0.14397015  0.35365287  0.01027322
   0.38694930  0.43596024  0.34397303
   0.53742852  0.31781687  0.20029311
   0.28933781  0.41804393  0.18094963
   0.19478367  0.12545352  0.43479755
  -0.05242744  0.17478123  0.42534755
   0.02269250 -0.03867727  0.52092395
   0.48409244  0.23524385  0.77897696
   0.05044121  0.22200178  0.59054366
   0.35636131  0.45534528  0.83852508
   0.48574212  0.43580055  0.65535463
   0.26293126  0.33398346  0.68172760
   0.25656370  0.18845446 -0.12037455
   0.02269632  0.14168806  0.94507763
   0.14338096  0.58684883  0.09340660
   0.38691486  0.69436615  0.27684876
   0.12076973  0.85597020  0.04224252
   0.34603656  0.94315533  0.36588113
   0.39363952  0.90647910  0.17497172
   0.15639867  0.83652233  0.24343946
   0.32765329  0.63753424  0.45901326
   0.07416132  0.61380105  0.39828697
   0.17441235  0.44673863  0.53305945
   0.33659350  0.69158400  0.75633953
   0.13359099  0.71696940  0.57001894
   0.35956317  0.97933645  0.79628032
   0.47459864  0.91240035  0.63428114
   0.20597166  0.91643729  0.65770509
   0.27535920  0.67694546 -0.05293721
   0.02474958  0.66650696  0.92544821
   0.58839507  0.05269394  0.11050168
   0.83439333  0.20838598  0.24573093
   0.63300087  0.28007100  0.02760758
   0.84861181  0.45613000  0.37562032
   0.04226935  0.38351817  0.18982813
   0.77407883  0.43017525  0.15514788
   0.68759409  0.16007702  0.39017322
   0.45278979  0.15702966  0.46263673
   0.64102084  0.09519380  0.58545309
   0.84404741  0.20607990  0.81387067
   0.64148289  0.33743146  0.52878108
   0.86352390  0.47169827  0.86387425
   1.02514371  0.47444172  0.68390014
   0.74269183  0.40764984  0.69996555
   0.76973364  0.06140197  0.96212893
   0.51160172  0.06670427  0.92738197
   0.55756414  0.52375773  0.06189442
   0.85968890  0.67788703  0.28059034
   0.54233078  0.79003952  0.03975673
   0.84926131  0.96060423  0.31812710
   0.91575103  0.86065631  0.15675216
   0.64895347  0.83682617  0.21684673
   0.82947924  0.71366006  0.46588434
   0.59337628  0.59917998  0.38910638
   0.66228828  0.59414646  0.58140319
   0.80673853  0.70434133  0.79913697
   0.57368911  0.83213510  0.46498792
   0.94281181  0.95457692  0.83771792
   0.94633317  0.83304610  0.67505131
   0.72304242  0.95069824  0.73654069
   0.75705659  0.65740034  0.98201197
   0.52710252  0.64222061  0.88354264
   0.72976814  0.85541144  0.58005879
   0.47853900  0.85171784  0.45919990
   0.90936348  0.23829919  0.06788253
   0.87373289  0.38130625  0.40692336
   0.34376079  0.12833650  0.64072836
   0.31030959  0.77794917  0.73817498
   0.15782393  1.11259375  0.19405391
   0.23429816  1.11229574  0.04979894
   0.64086315  0.36922055  0.86682676
   0.93923418  0.47836550  0.69592999
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874505    0.084286   -0.002184
    -0.000000    9.758405   -0.049343
    -0.000000    0.000000   13.959488
   Si   O    H 
    32    64    10
Direct configuration=  2640
   0.17154754  0.19114331 -0.02767851
   0.33443642  0.10547709  0.39071529
   0.14912192  0.42955392  0.11425967
   0.39014787  0.33668888  0.24968784
   0.05740020  0.12199040  0.49801371
   0.40648922  0.12395313  0.84897772
   0.11635167  0.36987409  0.62935485
   0.39056015  0.37181493  0.74006486
   0.13945313  0.70047278  0.00577725
   0.42752239  0.59768500  0.36638507
   0.07305301  0.90933199  0.15508196
   0.31676079  0.84338279  0.26684621
   0.17694417  0.60052168  0.49117516
   0.36629754  0.62334557  0.85601751
   0.06838444  0.85669958  0.60853123
   0.34211190  0.98358470  0.68037513
   0.62740257  0.11412858  1.00416482
   0.84130899  0.12644955  0.34891276
   0.62447059  0.39502412  0.11999434
   0.89437881  0.31449072  0.15982433
   0.60462341  0.17899635  0.49129372
   0.89309739  0.09518867  0.88988164
   0.64145468  0.43858867  0.62291163
   0.76837366  0.36321158  0.81627271
   0.58804005  0.65054028 -0.01087336
   0.90428838  0.61551814  0.38375532
   0.54727230  0.89911953  0.13227231
   0.81018862  0.83048635  0.24976610
   0.66542342  0.68311060  0.48510159
   0.86862942  0.62890630  0.90106716
   0.64000237  0.94474916  0.63203026
   0.85490670  0.86611480  0.76638129
   0.07919335  0.08045780  0.15638969
   0.33158643  0.19383170  0.28802986
   0.14472151  0.35178138  0.01045317
   0.38657183  0.43496774  0.34471699
   0.53800941  0.31744388  0.19993742
   0.28891964  0.41942057  0.18057141
   0.19448092  0.12539932  0.43550524
  -0.05385999  0.17389867  0.42501107
   0.02435481 -0.03911421  0.52092285
   0.48282222  0.23498700  0.77850912
   0.05131483  0.21919857  0.59159386
   0.35870050  0.45367717  0.83816447
   0.48615452  0.43636616  0.65567676
   0.26155864  0.33404667  0.68159413
   0.25583444  0.18913023 -0.12076036
   0.02205684  0.14134143  0.94503029
   0.14302734  0.58734233  0.09222466
   0.38720428  0.69374820  0.27570930
   0.11944298  0.85583067  0.04216169
   0.34434334  0.94214162  0.36495386
   0.39550422  0.90778233  0.17484232
   0.15606459  0.83816290  0.24433636
   0.32768210  0.63861701  0.45813284
   0.07429173  0.61393560  0.39842097
   0.17385061  0.44879880  0.53489207
   0.33638692  0.69193601  0.75514935
   0.13538873  0.71667946  0.56878586
   0.35898662  0.98095363  0.79586421
   0.47587166  0.91276053  0.63499971
   0.20672464  0.91601452  0.65756027
   0.27493829  0.67614713 -0.05368823
   0.02485282  0.66627278  0.92619226
   0.58683948  0.05122728  0.11013787
   0.83673645  0.20921539  0.24773867
   0.63514199  0.28061338  0.02756360
   0.84996258  0.45866353  0.37562401
   0.04099721  0.38188390  0.19068073
   0.77353431  0.42855779  0.15429336
   0.68696599  0.15949439  0.39077900
   0.45219890  0.15892509  0.46238449
   0.64288462  0.09468298  0.58619214
   0.84365667  0.20423171  0.81324241
   0.64098621  0.33684240  0.52865855
   0.86538620  0.47175800  0.86495760
   1.02415226  0.47404494  0.68266056
   0.74342056  0.40539257  0.70118461
   0.77014718  0.05863134  0.96146179
   0.51017186  0.06601727  0.92686858
   0.55622066  0.52422382  0.06092627
   0.86105291  0.67621205  0.28049135
   0.54399859  0.79051528  0.04049703
   0.85084568  0.96144960  0.31896678
   0.91785293  0.86274121  0.15653162
   0.64782882  0.83518281  0.21617246
   0.82948791  0.71301902  0.46471959
   0.59302976  0.59925953  0.38898754
   0.66063302  0.59494617  0.58214277
   0.80496997  0.70551617  0.79961349
   0.57337094  0.83284394  0.46470552
   0.94463564  0.95419371  0.83719939
   0.94655292  0.83290053  0.67477172
   0.72206657  0.95023474  0.73599017
   0.75585334  0.65684443  0.98255607
   0.52851628  0.64188058  0.88338216
   0.73739316  0.85452747  0.57688035
   0.47644202  0.85202452  0.46470104
   0.91495527  0.22952649  0.06682283
   0.87402151  0.36451009  0.40998383
   0.34114752  0.12757268  0.64027860
   0.31534835  0.77883525  0.73639990
   0.16057045  1.12249320  0.19621914
   0.23276407  1.11603686  0.04924855
   0.63626745  0.36601022  0.86729661
   0.92225365  0.47683382  0.69584982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875188    0.086245   -0.003260
    -0.000000    9.757710   -0.047847
    -0.000000    0.000000   13.958516
   Si   O    H 
    32    64    10
Direct configuration=  2641
   0.17195516  0.18900077 -0.02770081
   0.33409658  0.10497501  0.39077582
   0.14953366  0.42854105  0.11393874
   0.38921076  0.33679303  0.24950685
   0.05724449  0.12115194  0.49747346
   0.40602146  0.12537522  0.84876454
   0.11504923  0.37026161  0.62863551
   0.39118311  0.37343468  0.74033444
   0.13868267  0.70051925  0.00502158
   0.42825600  0.59666490  0.36632687
   0.07369148  0.90926791  0.15576936
   0.31775382  0.84376148  0.26687899
   0.17860893  0.60017437  0.49129006
   0.36714802  0.62427105  0.85608991
   0.06854427  0.85815224  0.60918792
   0.34295988  0.98402016  0.68010777
   0.62797765  0.11382139  1.00277085
   0.84201054  0.12564944  0.34975288
   0.62465092  0.39555300  0.11975185
   0.89282648  0.31341765  0.16023609
   0.60393243  0.17983648  0.49090518
   0.89392084  0.09499154  0.89067617
   0.64170166  0.43863132  0.62203110
   0.76771077  0.36302769  0.81671001
   0.58779696  0.65046523 -0.01044962
   0.90512714  0.61552464  0.38488026
   0.54656864  0.89953098  0.13316268
   0.81045698  0.83104069  0.25012249
   0.66558223  0.68234153  0.48536402
   0.86880358  0.62864778  0.90097203
   0.63970088  0.94428601  0.63134869
   0.85471258  0.86602081  0.76566513
   0.08056009  0.08032530  0.15712029
   0.33028776  0.19406201  0.28922502
   0.14435729  0.34984384  0.01046648
   0.38677533  0.43446892  0.34508700
   0.53912273  0.31676235  0.20025410
   0.28810704  0.42038795  0.18001765
   0.19332846  0.12578095  0.43632535
  -0.05552917  0.17345905  0.42476133
   0.02690318 -0.03961991  0.52122423
   0.48114704  0.23558426  0.77823489
   0.05232593  0.21725822  0.59256685
   0.36119139  0.45237079  0.83785475
   0.48604255  0.43691848  0.65684152
   0.25979615  0.33464786  0.68134924
   0.25621983  0.18948067 -0.12138869
   0.02185151  0.14183623  0.94490415
   0.14226811  0.58802292  0.09072269
   0.38739721  0.69293226  0.27548733
   0.11832932  0.85573967  0.04218995
   0.34265146  0.94098312  0.36428388
   0.39726244  0.90904880  0.17443872
   0.15618060  0.83995374  0.24513608
   0.32791747  0.63950472  0.45698178
   0.07456515  0.61478019  0.39857751
   0.17374454  0.44998260  0.53620790
   0.33596605  0.69071743  0.75403558
   0.13621972  0.71607256  0.56734885
   0.35775019  0.98229894  0.79560505
   0.47717448  0.91262231  0.63535536
   0.20681614  0.91500900  0.65756319
   0.27504736  0.67502727 -0.05454106
   0.02474109  0.66670228  0.92740740
   0.58548565  0.04992411  0.10933982
   0.83975684  0.20989117  0.24916351
   0.63729588  0.28125280  0.02730125
   0.85169231  0.46011343  0.37594111
   0.03937956  0.38074930  0.19221760
   0.77436143  0.42728651  0.15320622
   0.68682060  0.15914444  0.39216131
   0.45075991  0.16050688  0.46224963
   0.64437360  0.09442363  0.58604470
   0.84265824  0.20389585  0.81293369
   0.64053158  0.33628433  0.52825993
   0.86763639  0.47136398  0.86587842
   1.02147460  0.47334888  0.68155741
   0.74476673  0.40330153  0.70264075
   0.77051763  0.05714565  0.96133048
   0.50858868  0.06525699  0.92676859
   0.55583834  0.52447840  0.05970561
   0.86215596  0.67504773  0.28041086
   0.54489660  0.79098007  0.04176428
   0.85126651  0.96287220  0.32012976
   0.91932561  0.86457908  0.15630586
   0.64774192  0.83337191  0.21604429
   0.82888284  0.71231528  0.46372917
   0.59348240  0.60031597  0.38907402
   0.65917887  0.59596839  0.58253117
   0.80394502  0.70748868  0.80022484
   0.57361209  0.83337029  0.46480334
   0.94671748  0.95358706  0.83695798
   0.94706197  0.83242501  0.67472342
   0.72121379  0.94972525  0.73542375
   0.75528125  0.65695246  0.98325947
   0.52928403  0.64181086  0.88290473
   0.74490626  0.85686896  0.57625529
   0.47564003  0.84723115  0.46954998
   0.92031013  0.22300534  0.07152841
   0.87241439  0.35933344  0.41108913
   0.33581231  0.12322067  0.63948481
   0.31204237  0.78876854  0.73285293
   0.15682310  1.12644224  0.19783145
   0.23338480  1.12068670  0.04866939
   0.63207936  0.36609172  0.86625120
   0.91519550  0.47438587  0.69357510
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875891    0.088393   -0.004286
    -0.000000    9.756870   -0.046307
    -0.000000    0.000000   13.957838
   Si   O    H 
    32    64    10
Direct configuration=  2642
   0.17251400  0.18758770 -0.02760281
   0.33454710  0.10450278  0.39062604
   0.14956818  0.42795396  0.11344048
   0.38838382  0.33693913  0.24983545
   0.05734653  0.12073243  0.49729825
   0.40551353  0.12668528  0.84798099
   0.11400832  0.36996313  0.62774942
   0.39199741  0.37447061  0.74075473
   0.13783877  0.70061728  0.00412153
   0.42909346  0.59589067  0.36592824
   0.07372975  0.90965200  0.15610594
   0.31871918  0.84358508  0.26711225
   0.17991649  0.60022629  0.49114335
   0.36744468  0.62499370  0.85596783
   0.06947156  0.85966175  0.60954331
   0.34389449  0.98536178  0.67994723
   0.62822460  0.11421419  1.00150261
   0.84158609  0.12500637  0.34996756
   0.62479136  0.39527558  0.11858789
   0.89187789  0.31185987  0.16049447
   0.60311997  0.18137627  0.49039527
   0.89464530  0.09431448  0.89144212
   0.64144683  0.43961984  0.62052626
   0.76731374  0.36311294  0.81776192
   0.58757984  0.65033286 -0.00976527
   0.90590261  0.61545373  0.38564976
   0.54583828  0.89954276  0.13371134
   0.81108360  0.83146818  0.25042294
   0.66525606  0.68156400  0.48531848
   0.86896390  0.62861081  0.90083113
   0.63971308  0.94375320  0.63052656
   0.85472610  0.86596524  0.76450262
   0.08201822  0.07947882  0.15802959
   0.32942111  0.19346632  0.29008209
   0.14435816  0.34745861  0.01026453
   0.38720186  0.43265609  0.34516130
   0.53996299  0.31566322  0.20057599
   0.28796020  0.42039550  0.17967808
   0.19184645  0.12622175  0.43702554
  -0.05674462  0.17415630  0.42489735
   0.02813979 -0.03975470  0.52129816
   0.47968460  0.23610587  0.77794052
   0.05326743  0.21568799  0.59387156
   0.36296007  0.45176239  0.83817005
   0.48567781  0.43765797  0.65803025
   0.25793226  0.33455202  0.68126333
   0.25617936  0.18958195 -0.12214246
   0.02224178  0.14285324  0.94453403
   0.14172732  0.58915431  0.08925031
   0.38771894  0.69194825  0.27513783
   0.11781519  0.85457574  0.04230050
   0.34139961  0.93914215  0.36323892
   0.39827070  0.91048268  0.17429232
   0.15667175  0.84161505  0.24623459
   0.32779447  0.64040642  0.45603444
   0.07487855  0.61522685  0.39842591
   0.17353506  0.45127364  0.53708392
   0.33509477  0.69093829  0.75341389
   0.13635903  0.71687157  0.56568447
   0.35687695  0.98382215  0.79578759
   0.47866155  0.91223173  0.63551191
   0.20643677  0.91332442  0.65749410
   0.27534063  0.67336357 -0.05519449
   0.02348375  0.66695784  0.92838439
   0.58522195  0.04914837  0.10879857
   0.84274220  0.21038532  0.25050972
   0.63910314  0.28099892  0.02665294
   0.85428099  0.46087115  0.37600337
   0.03774929  0.38010369  0.19359131
   0.77554675  0.42638178  0.15203955
   0.68722434  0.15841168  0.39381897
   0.44838164  0.16167474  0.46229287
   0.64615023  0.09467313  0.58598520
   0.84115841  0.20447684  0.81232566
   0.64011730  0.33560464  0.52713889
   0.87006032  0.47041523  0.86683075
   1.01817179  0.47358375  0.68092247
   0.74690718  0.40018515  0.70421457
   0.77108092  0.05679447  0.96194715
   0.50724745  0.06452916  0.92670362
   0.55451640  0.52420353  0.05951505
   0.86292940  0.67453334  0.27980970
   0.54589904  0.79160764  0.04252331
   0.85154752  0.96467863  0.32171456
   0.91955088  0.86546233  0.15644877
   0.64811935  0.83171937  0.21564628
   0.82855566  0.71101545  0.46226067
   0.59362024  0.60048444  0.38892271
   0.65873654  0.59671856  0.58262165
   0.80360021  0.70955900  0.80149356
   0.57364534  0.83366826  0.46527374
   0.94946652  0.95243978  0.83632086
   0.94728038  0.83181964  0.67495348
   0.71973171  0.94954930  0.73438026
   0.75441358  0.65720527  0.98358596
   0.52893871  0.64157170  0.88196739
   0.74455481  0.85977891  0.57755353
   0.47335464  0.83929535  0.47443688
   0.92265826  0.22042805  0.07904232
   0.87042211  0.37209437  0.40755025
   0.32956122  0.12107422  0.63954451
   0.31100077  0.78342176  0.73576563
   0.14933586  1.12650374  0.19687183
   0.23734735  1.12129388  0.04905750
   0.63047108  0.36472343  0.86469117
   0.92151154  0.47210619  0.69215935
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876261    0.090168   -0.005789
    -0.000000    9.756483   -0.044231
    -0.000000    0.000000   13.957457
   Si   O    H 
    32    64    10
Direct configuration=  2643
   0.17231525  0.18612503 -0.02749674
   0.33465233  0.10438041  0.39000422
   0.15047610  0.42763166  0.11294277
   0.38732370  0.33607412  0.25032838
   0.05714156  0.12012457  0.49711598
   0.40514665  0.12792770  0.84723592
   0.11346870  0.36996297  0.62686246
   0.39318722  0.37569322  0.74152343
   0.13694772  0.70052534  0.00305376
   0.42965772  0.59557351  0.36566712
   0.07359135  0.90988713  0.15644754
   0.31981299  0.84323961  0.26746392
   0.18099279  0.60049005  0.49066057
   0.36754710  0.62517079  0.85608317
   0.07055489  0.86096197  0.60958354
   0.34493583  0.98670034  0.67972881
   0.62810043  0.11494308  1.00061927
   0.84020078  0.12474435  0.34995839
   0.62452694  0.39550913  0.11682507
   0.89099032  0.31005856  0.16094808
   0.60180251  0.18281915  0.49005491
   0.89517512  0.09362391  0.89215608
   0.64060380  0.44107144  0.61897591
   0.76695882  0.36302851  0.81894297
   0.58750607  0.65043842 -0.00884850
   0.90651548  0.61536645  0.38632289
   0.54612428  0.89871775  0.13418539
   0.81194550  0.83184383  0.25049984
   0.66528946  0.68146500  0.48544186
   0.86851479  0.62901387  0.90059692
   0.63987113  0.94334216  0.62985502
   0.85486644  0.86582362  0.76378496
   0.08291603  0.07832193  0.15901937
   0.32940433  0.19302409  0.29122671
   0.14491500  0.34493271  0.01014469
   0.38815450  0.43234890  0.34509170
   0.54070666  0.31497820  0.20133316
   0.28795547  0.41938465  0.17905237
   0.19070097  0.12735877  0.43753065
  -0.05633096  0.17595311  0.42555602
   0.02949276 -0.04028890  0.52132919
   0.47764364  0.23628777  0.77780525
   0.05474474  0.21413904  0.59485919
   0.36482759  0.45161234  0.83843816
   0.48609617  0.43890734  0.65893075
   0.25618661  0.33415481  0.68182795
   0.25602641  0.19000398 -0.12299902
   0.02302324  0.14350666  0.94437366
   0.14158437  0.59019171  0.08796069
   0.38796637  0.69154244  0.27444248
   0.11676861  0.85329810  0.04292546
   0.34056039  0.93740230  0.36296285
   0.39871066  0.91114172  0.17334809
   0.15725653  0.84318092  0.24687981
   0.32802472  0.64055220  0.45452652
   0.07401877  0.61687437  0.39857434
   0.17325961  0.45229740  0.53770963
   0.33386806  0.69138495  0.75280217
   0.13580302  0.71666527  0.56439380
   0.35593283  0.98550639  0.79559545
   0.48000741  0.91192860  0.63582522
   0.20570530  0.91176142  0.65757912
   0.27596612  0.67107383 -0.05565437
   0.02144268  0.66777509  0.92935705
   0.58614265  0.04839274  0.10796443
   0.84609789  0.21171904  0.25153395
   0.64129044  0.28058874  0.02573881
   0.85684947  0.46082693  0.37600622
   0.03601258  0.38017764  0.19442207
   0.77694622  0.42674411  0.15097182
   0.68795646  0.15728858  0.39537363
   0.44605409  0.16206397  0.46229386
   0.64773497  0.09446748  0.58574552
   0.83979114  0.20613468  0.81195413
   0.63986583  0.33541361  0.52649757
   0.87216280  0.46890666  0.86766717
   1.01511663  0.47406873  0.68077264
   0.74916121  0.39758471  0.70543353
   0.77124485  0.05622326  0.96223642
   0.50663625  0.06453608  0.92688450
   0.55416939  0.52386383  0.05980683
   0.86295573  0.67500758  0.27903358
   0.54730510  0.79187391  0.04308467
   0.85165411  0.96511591  0.32297729
   0.91872368  0.86614149  0.15639538
   0.64852366  0.83064156  0.21542360
   0.82803797  0.70976687  0.46134973
   0.59337398  0.60026558  0.38901615
   0.65822964  0.59705048  0.58308378
   0.80413638  0.71129181  0.80349352
   0.57331113  0.83335405  0.46637049
   0.95174901  0.95115444  0.83632774
   0.94731123  0.83116425  0.67552961
   0.71809618  0.94902869  0.73355726
   0.75354933  0.65708970  0.98445630
   0.52877414  0.64100206  0.88088825
   0.74122699  0.86305329  0.57893195
   0.47586674  0.83129912  0.48008253
   0.92010781  0.22100018  0.08340987
   0.87424043  0.38549712  0.40513189
   0.32726256  0.12024189  0.63906037
   0.30763969  0.77638090  0.73991451
   0.14579782  1.12377258  0.19609696
   0.24298898  1.11756649  0.05056117
   0.63336171  0.36781993  0.86419255
   0.92744235  0.47313293  0.69022840
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876943    0.092248   -0.007152
    -0.000000    9.756200   -0.042038
    -0.000000    0.000000   13.957016
   Si   O    H 
    32    64    10
Direct configuration=  2644
   0.17206974  0.18522209 -0.02764260
   0.33446153  0.10425999  0.38952390
   0.15089980  0.42788229  0.11280675
   0.38619009  0.33524679  0.25053693
   0.05651379  0.11908259  0.49675137
   0.40495458  0.12918334  0.84680489
   0.11356451  0.36967363  0.62611951
   0.39428511  0.37630603  0.74170481
   0.13562898  0.70046720  0.00219458
   0.42995054  0.59475148  0.36539048
   0.07372525  0.91030932  0.15647595
   0.32103565  0.84286453  0.26731263
   0.18153548  0.60040191  0.49040845
   0.36764174  0.62445897  0.85547621
   0.07170347  0.86174176  0.60937746
   0.34576378  0.98829640  0.67990623
   0.62798026  0.11534135  0.99998538
   0.83848172  0.12481347  0.35011719
   0.62450938  0.39518764  0.11457892
   0.89005900  0.30794730  0.16170075
   0.60074136  0.18385259  0.48973036
   0.89581535  0.09294063  0.89256526
   0.63901840  0.44185245  0.61779715
   0.76691585  0.36245549  0.81997719
   0.58792853  0.65058360 -0.00792437
   0.90705749  0.61525841  0.38675820
   0.54662344  0.89737975  0.13489539
   0.81239392  0.83215827  0.25038948
   0.66551121  0.68160421  0.48488919
   0.86788898  0.62988316  0.90026861
   0.64017878  0.94331924  0.62951641
   0.85494865  0.86525540  0.76295155
   0.08321574  0.07613827  0.15976798
   0.32927871  0.19266851  0.29209754
   0.14559593  0.34312549  0.01071342
   0.38885204  0.43258316  0.34514121
   0.54131511  0.31472976  0.20258432
   0.28744729  0.41898172  0.17826027
   0.19057049  0.12793684  0.43768991
  -0.05596381  0.17843984  0.42678460
   0.02981315 -0.04143527  0.52135804
   0.47587978  0.23629864  0.77789264
   0.05563756  0.21365135  0.59588709
   0.36657991  0.45185036  0.83883649
   0.48656364  0.44066630  0.65986248
   0.25426436  0.33378169  0.68195869
   0.25614497  0.19137689 -0.12397639
   0.02399245  0.14425201  0.94484962
   0.14149903  0.59059491  0.08721208
   0.38818428  0.69098557  0.27380930
   0.11583870  0.85261066  0.04363460
   0.33906511  0.93662302  0.36218112
   0.39781634  0.91111978  0.17284788
   0.15681581  0.84510598  0.24749566
   0.32911171  0.64113669  0.45344997
   0.07291740  0.61797412  0.39806958
   0.17273816  0.45289073  0.53820253
   0.33243073  0.69123844  0.75201941
   0.13519264  0.71722023  0.56358442
   0.35492738  0.98636560  0.79531560
   0.48071506  0.91148254  0.63599033
   0.20494620  0.91045915  0.65738746
   0.27689577  0.66928448 -0.05646978
   0.01932085  0.66816839  0.92978519
   0.58831996  0.04831509  0.10676560
   0.84925425  0.21278294  0.25290812
   0.64357232  0.27951480  0.02516794
   0.85871120  0.46232357  0.37568263
   0.03468027  0.38035285  0.19412972
   0.77771575  0.42762091  0.15047640
   0.68888669  0.15600172  0.39671726
   0.44308343  0.16273529  0.46238661
   0.64966616  0.09488152  0.58554816
   0.83885511  0.20754251  0.81163594
   0.63972646  0.33571144  0.52577369
   0.87427305  0.46849762  0.86874902
   1.01457564  0.47447680  0.68034338
   0.75066288  0.39485664  0.70591033
   0.77139232  0.05554732  0.96254534
   0.50606691  0.06511033  0.92738381
   0.55440635  0.52282853  0.06001023
   0.86242379  0.67554556  0.27854763
   0.54842493  0.79203551  0.04398418
   0.85215459  0.96448078  0.32403819
   0.91686119  0.86737361  0.15658473
   0.64937109  0.82951359  0.21560846
   0.82664996  0.70823452  0.46008117
   0.59278324  0.59991371  0.38976267
   0.65850691  0.59682994  0.58389349
   0.80455907  0.71230131  0.80586907
   0.57268863  0.83293162  0.46730320
   0.95329317  0.95099842  0.83622002
   0.94739466  0.83060264  0.67521257
   0.71641883  0.94920341  0.73295157
   0.75237522  0.65700930  0.98485537
   0.52802085  0.64050063  0.88070570
   0.74070782  0.86348603  0.57921703
   0.48189017  0.82488033  0.48471197
   0.91481599  0.21983022  0.08279828
   0.88464451  0.37246802  0.41233224
   0.32785879  0.12224402  0.63774364
   0.29419122  0.79070149  0.74006206
   0.15242155  1.12870695  0.19888315
   0.24995603  1.11059669  0.05087681
   0.63703943  0.36879036  0.86391539
   0.90759479  0.47335460  0.69220416
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878122    0.094012   -0.008532
    -0.000000    9.755597   -0.040509
    -0.000000    0.000000   13.956476
   Si   O    H 
    32    64    10
Direct configuration=  2645
   0.17242657  0.18466906 -0.02740060
   0.33383714  0.10396506  0.38920809
   0.15175937  0.42787238  0.11254249
   0.38482092  0.33544425  0.25032124
   0.05598300  0.11827932  0.49639229
   0.40470874  0.13019057  0.84638742
   0.11367553  0.36875736  0.62537446
   0.39435093  0.37592925  0.74172928
   0.13461853  0.70028443  0.00148859
   0.43037386  0.59351195  0.36524388
   0.07344799  0.91062315  0.15645074
   0.32223943  0.84231809  0.26710926
   0.18168826  0.60004345  0.48940552
   0.36766381  0.62369545  0.85496216
   0.07262923  0.86168209  0.60952325
   0.34599458  0.98968415  0.68044774
   0.62780981  0.11603008  0.99966419
   0.83655987  0.12466795  0.35023289
   0.62461997  0.39485354  0.11229807
   0.88951791  0.30559941  0.16246248
   0.59999899  0.18450072  0.48943547
   0.89557807  0.09272262  0.89293186
   0.63740932  0.44214409  0.61693150
   0.76666403  0.36158252  0.82065318
   0.58834070  0.65078849 -0.00690788
   0.90767646  0.61513625  0.38703417
   0.54730471  0.89567938  0.13540302
   0.81280842  0.83228273  0.25047787
   0.66568265  0.68235978  0.48466634
   0.86624491  0.63072472  0.90004249
   0.64028753  0.94336491  0.62964624
   0.85444664  0.86448335  0.76278218
   0.08319847  0.07456192  0.16033287
   0.33029854  0.19208101  0.29253722
   0.14616847  0.34233104  0.01112480
   0.38930609  0.43263873  0.34532880
   0.54213591  0.31524891  0.20357473
   0.28743418  0.41801264  0.17720482
   0.19133802  0.12907334  0.43799428
  -0.05620284  0.18067104  0.42777770
   0.02929405 -0.04160522  0.52163951
   0.47440723  0.23519048  0.77775610
   0.05624311  0.21264324  0.59651725
   0.36832292  0.45341778  0.83899962
   0.48727587  0.44273040  0.66089384
   0.25331062  0.33321953  0.68276760
   0.25707664  0.19261816 -0.12548976
   0.02509449  0.14435541  0.94565763
   0.14149140  0.59037763  0.08681580
   0.38884909  0.69084647  0.27298953
   0.11466630  0.85188702  0.04453119
   0.33779923  0.93635159  0.36160152
   0.39681657  0.91048330  0.17260939
   0.15681827  0.84650401  0.24789918
   0.33016384  0.64131487  0.45272327
   0.07254015  0.61939930  0.39798214
   0.17300350  0.45326762  0.53841431
   0.33078071  0.69189778  0.75116471
   0.13458526  0.71703009  0.56262986
   0.35432879  0.98737536  0.79497444
   0.48025697  0.91044543  0.63624999
   0.20412193  0.90979092  0.65751150
   0.27754254  0.66734483 -0.05704621
   0.01693369  0.66889305  0.92988205
   0.59051254  0.04828820  0.10553438
   0.85245189  0.21355574  0.25410733
   0.64483126  0.27858658  0.02441260
   0.86042383  0.46287265  0.37538399
   0.03416137  0.38037031  0.19352094
   0.77765485  0.42828702  0.14986196
   0.69072386  0.15473935  0.39792631
   0.44080381  0.16337308  0.46319944
   0.65160860  0.09542484  0.58529252
   0.83842765  0.20851290  0.81165193
   0.63928327  0.33564592  0.52477497
   0.87571162  0.46709743  0.86979456
   1.01319612  0.47593627  0.68011887
   0.75092822  0.39273780  0.70624101
   0.77142386  0.05614838  0.96256573
   0.50550061  0.06554141  0.92769907
   0.55471056  0.52153699  0.05988499
   0.86237537  0.67627368  0.27851626
   0.54991210  0.79235774  0.04469268
   0.85246458  0.96293768  0.32531557
   0.91525312  0.86891159  0.15670937
   0.65091765  0.82867130  0.21628825
   0.82510456  0.70665375  0.45958080
   0.59162979  0.60020786  0.39144395
   0.65897779  0.59632101  0.58492120
   0.80481509  0.71360357  0.80806275
   0.57356501  0.83212298  0.46812223
   0.95477196  0.95132178  0.83588460
   0.94703880  0.83008049  0.67466363
   0.71523885  0.94953125  0.73282516
   0.75172560  0.65690361  0.98546503
   0.52687172  0.63964606  0.88053243
   0.73980015  0.86383260  0.57614085
   0.47672792  0.81914278  0.49314844
   0.91170158  0.21721993  0.07818341
   0.89437181  0.37087850  0.41684229
   0.33108812  0.12983981  0.63632816
   0.28399212  0.79146962  0.74106656
   0.15486698  1.12544306  0.19928092
   0.25425359  1.10422035  0.04788573
   0.63540380  0.36728893  0.86602082
   0.89865828  0.47268250  0.69205644
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879294    0.095145   -0.010191
    -0.000000    9.754983   -0.039597
    -0.000000    0.000000   13.955693
   Si   O    H 
    32    64    10
Direct configuration=  2646
   0.17187672  0.18437203 -0.02729964
   0.33332211  0.10323506  0.38830089
   0.15252674  0.42793377  0.11219946
   0.38358895  0.33584896  0.25030846
   0.05589944  0.11727063  0.49604241
   0.40398105  0.13078763  0.84616064
   0.11318825  0.36786909  0.62429745
   0.39426162  0.37472981  0.74115515
   0.13386238  0.70018517  0.00099071
   0.43095812  0.59263745  0.36525569
   0.07276582  0.91098113  0.15644618
   0.32317767  0.84247126  0.26689998
   0.18146299  0.60015240  0.48875486
   0.36741030  0.62313840  0.85408293
   0.07392861  0.86100320  0.60958272
   0.34581987  0.99114337  0.68065134
   0.62726781  0.11706579  0.99958907
   0.83471033  0.12427513  0.35015212
   0.62504421  0.39399063  0.11035810
   0.88924858  0.30409260  0.16305449
   0.59890366  0.18485310  0.48984853
   0.89526717  0.09238706  0.89284824
   0.63565492  0.44195260  0.61605802
   0.76679629  0.36055732  0.82135562
   0.58815728  0.65089700 -0.00588629
   0.90853269  0.61452743  0.38760643
   0.54719420  0.89397397  0.13546568
   0.81311054  0.83196732  0.25014455
   0.66510334  0.68340508  0.48472420
   0.86455227  0.63073011  0.89967187
   0.64053097  0.94271530  0.62965408
   0.85400015  0.86353911  0.76280325
   0.08362269  0.07306874  0.16186851
   0.33107907  0.19157180  0.29228055
   0.14729535  0.34176066  0.01193321
   0.38946630  0.43302867  0.34538785
   0.54260291  0.31616176  0.20429511
   0.28713831  0.41740421  0.17676284
   0.19188744  0.13058687  0.43804829
  -0.05673795  0.18288616  0.42838981
   0.02861427 -0.04179944  0.52174708
   0.47326141  0.23345550  0.77715893
   0.05645277  0.21144224  0.59683515
   0.36994300  0.45539266  0.83985406
   0.48841097  0.44461798  0.66207719
   0.25233429  0.33349895  0.68339089
   0.25779354  0.19384975 -0.12679215
   0.02644217  0.14404968  0.94624071
   0.14156163  0.59102762  0.08630154
   0.38981814  0.69067124  0.27226830
   0.11386396  0.85128431  0.04542089
   0.33732479  0.93546405  0.36109504
   0.39582455  0.91008415  0.17257411
   0.15768517  0.84769865  0.24877534
   0.33050831  0.64128796  0.45205077
   0.07258177  0.62053510  0.39827660
   0.17364690  0.45266392  0.53842042
   0.32868518  0.69350492  0.75037419
   0.13391970  0.71745446  0.56199325
   0.35420359  0.98837403  0.79488640
   0.48031155  0.91008167  0.63710043
   0.20439717  0.90921395  0.65852102
   0.27784097  0.66531365 -0.05759919
   0.01391169  0.66925790  0.93030285
   0.59301538  0.04806766  0.10433796
   0.85418135  0.21396256  0.25502979
   0.64586989  0.27800400  0.02345919
   0.86234818  0.46162561  0.37510664
   0.03383865  0.38077197  0.19252161
   0.77663628  0.42852091  0.14947025
   0.69252840  0.15237758  0.39876074
   0.43992273  0.16413349  0.46352486
   0.65213648  0.09620825  0.58489011
   0.83878401  0.20964387  0.81243294
   0.63804272  0.33533450  0.52355253
   0.87678947  0.46653987  0.87009110
   1.01049127  0.47656851  0.68000442
   0.75116677  0.39199661  0.70541226
   0.77079745  0.05769844  0.96204114
   0.50514337  0.06716321  0.92805630
   0.55491350  0.52101972  0.05922621
   0.86184422  0.67714845  0.27893465
   0.55185716  0.79262516  0.04537643
   0.85236580  0.96071306  0.32638643
   0.91374007  0.87020051  0.15686132
   0.65340530  0.82853427  0.21702454
   0.82333209  0.70513194  0.45985432
   0.59025863  0.60029651  0.39315358
   0.65951606  0.59597478  0.58569303
   0.80467568  0.71477216  0.81078917
   0.57412262  0.83019090  0.46982342
   0.95564847  0.95138985  0.83506555
   0.94717612  0.82906031  0.67442002
   0.71456141  0.94969270  0.73318535
   0.75087300  0.65666971  0.98574930
   0.52632011  0.63912156  0.88076523
   0.73878191  0.85973630  0.57412586
   0.47975383  0.81701977  0.49655332
   0.90545577  0.21628779  0.07592944
   0.89990254  0.38493933  0.41841013
   0.33255379  0.13527988  0.63590650
   0.27709529  0.77538253  0.74350326
   0.15494851  1.11369402  0.19871938
   0.26109502  1.10436967  0.04086592
   0.63401179  0.36965132  0.86938288
   0.90477266  0.46753283  0.68904449
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880083    0.095897   -0.012725
    -0.000000    9.754468   -0.038820
    -0.000000    0.000000   13.954853
   Si   O    H 
    32    64    10
Direct configuration=  2647
   0.17117829  0.18403016 -0.02700090
   0.33287766  0.10177637  0.38728656
   0.15282806  0.42836262  0.11180474
   0.38306161  0.33602705  0.25072811
   0.05543088  0.11688753  0.49626835
   0.40382973  0.13053385  0.84590143
   0.11335169  0.36724382  0.62364522
   0.39393774  0.37393994  0.74059340
   0.13300856  0.70020798  0.00031727
   0.43067761  0.59190371  0.36478684
   0.07219373  0.91089079  0.15636388
   0.32342146  0.84294189  0.26653765
   0.18141814  0.60076886  0.48790748
   0.36629316  0.62263487  0.85282147
   0.07487585  0.86075141  0.60981115
   0.34563492  0.99299260  0.68057763
   0.62673058  0.11842834  0.99991213
   0.83244528  0.12377926  0.34996061
   0.62529324  0.39261902  0.10852235
   0.88871595  0.30237606  0.16366401
   0.59819256  0.18546525  0.49067247
   0.89478299  0.09262658  0.89279705
   0.63428814  0.44193504  0.61550174
   0.76698221  0.35939365  0.82204082
   0.58794038  0.65004327 -0.00557633
   0.90966653  0.61419363  0.38805194
   0.54747347  0.89264355  0.13562038
   0.81355476  0.83207926  0.24973338
   0.66448772  0.68402716  0.48438156
   0.86324548  0.63152480  0.89939117
   0.64084077  0.94234777  0.62935077
   0.85317346  0.86249215  0.76293214
   0.08453435  0.07182933  0.16373214
   0.33149994  0.19140020  0.29153257
   0.14886200  0.34201479  0.01285525
   0.38941987  0.43431374  0.34503470
   0.54234201  0.31766931  0.20474711
   0.28692380  0.41639294  0.17633359
   0.19250961  0.13225260  0.43812981
  -0.05778434  0.18506253  0.42859429
   0.02826842 -0.04173454  0.52225034
   0.47186988  0.23284524  0.77612638
   0.05739352  0.21089152  0.59716168
   0.37141242  0.45688744  0.84108100
   0.48959758  0.44549075  0.66296497
   0.25063435  0.33383908  0.68375400
   0.25882986  0.19477439 -0.12799441
   0.02803734  0.14370903  0.94682205
   0.14172707  0.59113885  0.08669835
   0.38999597  0.69065474  0.27196738
   0.11246698  0.85092661  0.04660938
   0.33760197  0.93607443  0.36067532
   0.39568703  0.90954337  0.17313931
   0.15820217  0.84941097  0.24873736
   0.33060218  0.64096870  0.45162010
   0.07319032  0.62111620  0.39850089
   0.17474721  0.45195946  0.53824782
   0.32664303  0.69431508  0.74963280
   0.13375132  0.71775291  0.56159502
   0.35404769  0.98869224  0.79513034
   0.48067888  0.90938486  0.63799983
   0.20508027  0.90920589  0.65989909
   0.27719004  0.66377284 -0.05777501
   0.01114733  0.67009978  0.93078086
   0.59512281  0.04759370  0.10364039
   0.85637166  0.21445522  0.25617882
   0.64578070  0.27791698  0.02265205
   0.86513068  0.45914674  0.37566562
   0.03376889  0.38054192  0.19125305
   0.77586553  0.42775080  0.14882334
   0.69393972  0.15066162  0.40016619
   0.43927035  0.16462631  0.46391121
   0.65249861  0.09654885  0.58403808
   0.83881001  0.20963491  0.81294216
   0.63715595  0.33509694  0.52242770
   0.87714238  0.46712771  0.87040024
   1.00787834  0.47683682  0.67890002
   0.75187731  0.39187377  0.70422904
   0.77027266  0.05981599  0.96191071
   0.50543609  0.06911221  0.92840589
   0.55510048  0.52032164  0.05840166
   0.86146142  0.67796716  0.27948011
   0.55164631  0.79233187  0.04606692
   0.85284051  0.95772302  0.32730237
   0.91196286  0.87103821  0.15725674
   0.65538841  0.82889476  0.21771668
   0.82181310  0.70390735  0.46021600
   0.58849161  0.60031336  0.39499657
   0.66012021  0.59679072  0.58637744
   0.80458650  0.71600661  0.81263201
   0.57451800  0.82725652  0.47210706
   0.95605737  0.95122151  0.83415482
   0.94745924  0.82873929  0.67392357
   0.71453635  0.95037247  0.73378922
   0.75124611  0.65688078  0.98541931
   0.52582798  0.63909094  0.88165523
   0.73967256  0.85480115  0.57342685
   0.48761865  0.81419910  0.49863614
   0.90261032  0.21834671  0.07441772
   0.90254823  0.40306975  0.41631693
   0.33786686  0.13685022  0.63876247
   0.26977485  0.76491502  0.74703673
   0.15371229  1.10542211  0.20113819
   0.26573483  1.10656580  0.03219773
   0.63170415  0.37024125  0.87405134
   0.91965057  0.46399269  0.68323685
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881020    0.097146   -0.015274
    -0.000000    9.754015   -0.038077
    -0.000000    0.000000   13.954336
   Si   O    H 
    32    64    10
Direct configuration=  2648
   0.17077400  0.18420979 -0.02618772
   0.33227166  0.10084967  0.38700204
   0.15301689  0.42881049  0.11121944
   0.38309985  0.33673309  0.25129556
   0.05539717  0.11655442  0.49692141
   0.40334811  0.12992995  0.84554382
   0.11300619  0.36648641  0.62353683
   0.39317301  0.37317504  0.74020168
   0.13287488  0.69969908 -0.00003702
   0.42977292  0.59118085  0.36420765
   0.07072586  0.91036765  0.15597934
   0.32261323  0.84377424  0.26613470
   0.18175996  0.60100506  0.48733229
   0.36510613  0.62225733  0.85156755
   0.07540111  0.86008439  0.60969248
   0.34596487  0.99449527  0.68064449
   0.62614031  0.12017468  1.00014930
   0.83108236  0.12271680  0.34974292
   0.62545984  0.39018491  0.10707647
   0.88825223  0.30103210  0.16449331
   0.59803621  0.18558942  0.49099740
   0.89484547  0.09262652  0.89243420
   0.63410725  0.44166822  0.61535773
   0.76691169  0.35847739  0.82297874
   0.58801229  0.64931842 -0.00519078
   0.91184986  0.61342613  0.38797324
   0.54768299  0.89151066  0.13625221
   0.81388560  0.83205028  0.24897139
   0.66361770  0.68453165  0.48403054
   0.86179664  0.63172801  0.89903639
   0.64088214  0.94229381  0.62883103
   0.85246937  0.86125338  0.76307099
   0.08464097  0.07066958  0.16546524
   0.33215806  0.19122914  0.29061122
   0.14976088  0.34325425  0.01332248
   0.38965019  0.43582063  0.34457228
   0.54157485  0.31944656  0.20532498
   0.28689889  0.41589029  0.17586379
   0.19347320  0.13463467  0.43757974
  -0.05923106  0.18775259  0.42908957
   0.02792448 -0.04200940  0.52297837
   0.47068745  0.23309583  0.77476765
   0.05776036  0.21061897  0.59723983
   0.37292026  0.45738092  0.84277080
   0.49025218  0.44646056  0.66483185
   0.24901385  0.33450059  0.68439696
   0.25882531  0.19507205 -0.12874624
   0.02894186  0.14265124  0.94746067
   0.14267047  0.59125219  0.08733849
   0.39099727  0.69010012  0.27186493
   0.11102994  0.85022072  0.04737083
   0.33808284  0.93702169  0.36043999
   0.39534112  0.90895597  0.17364426
   0.15859363  0.84991902  0.24855918
   0.33057687  0.64041293  0.45138076
   0.07283860  0.62171098  0.39881281
   0.17594845  0.45126156  0.53752886
   0.32564129  0.69453284  0.74908069
   0.13421041  0.71781929  0.56142487
   0.35432964  0.98935323  0.79514045
   0.48134916  0.90842198  0.63941642
   0.20605758  0.91001203  0.66144432
   0.27609783  0.66318814 -0.05758818
   0.00865524  0.67084839  0.93087512
   0.59788008  0.04761402  0.10261481
   0.85811293  0.21541521  0.25701626
   0.64534104  0.27756536  0.02232420
   0.86693031  0.45795259  0.37529090
   0.03289872  0.38055135  0.18970264
   0.77492719  0.42602265  0.14834498
   0.69522096  0.14952112  0.40130955
   0.43845382  0.16507725  0.46401172
   0.65258010  0.09663740  0.58346997
   0.83832518  0.20960925  0.81364007
   0.63601491  0.33530496  0.52117160
   0.87702910  0.46840530  0.87092494
   1.00744293  0.47688223  0.67764204
   0.75145156  0.39165519  0.70289195
   0.76903811  0.06177338  0.96165760
   0.50648355  0.07135950  0.92807965
   0.55435250  0.51872744  0.05750840
   0.86165175  0.67921293  0.28006887
   0.55177992  0.79114475  0.04669369
   0.85329051  0.95492858  0.32825380
   0.91007476  0.87138663  0.15725435
   0.65655012  0.82979891  0.21834609
   0.82026218  0.70250824  0.46048143
   0.58680361  0.59947954  0.39682419
   0.66201791  0.59825887  0.58615151
   0.80503224  0.71820594  0.81345671
   0.57570716  0.82457548  0.47421606
   0.95694499  0.95071573  0.83365145
   0.94846810  0.82764917  0.67364921
   0.71460437  0.95081223  0.73439515
   0.75168014  0.65724511  0.98542034
   0.52566801  0.63925660  0.88297147
   0.74020613  0.85224242  0.57600685
   0.48605839  0.80835948  0.50119034
   0.89974139  0.22178510  0.07228846
   0.91416967  0.40000825  0.42579956
   0.34339720  0.13401492  0.64221295
   0.24665912  0.77625980  0.75021895
   0.16031273  1.10388530  0.21009039
   0.26704827  1.11089906  0.02579627
   0.63199790  0.37396276  0.87548116
   0.91187375  0.45398990  0.67904416
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882086    0.098718   -0.017660
    -0.000000    9.753708   -0.036821
    -0.000000    0.000000   13.954192
   Si   O    H 
    32    64    10
Direct configuration=  2649
   0.17080830  0.18470072 -0.02573421
   0.33121933  0.09970636  0.38658638
   0.15271935  0.42935842  0.11061101
   0.38323942  0.33688390  0.25144214
   0.05501677  0.11646554  0.49729486
   0.40244302  0.12897783  0.84493176
   0.11265283  0.36593323  0.62371756
   0.39223672  0.37230304  0.74018983
   0.13313742  0.69905173 -0.00034546
   0.42908165  0.59051882  0.36354198
   0.06943498  0.91016343  0.15606624
   0.32142877  0.84486126  0.26556599
   0.18187234  0.60087837  0.48678888
   0.36410935  0.62218523  0.85033095
   0.07607392  0.85948810  0.60941595
   0.34689837  0.99606934  0.68023687
   0.62595443  0.12121297  1.00018204
   0.83029111  0.12191530  0.34927710
   0.62556136  0.38830141  0.10593083
   0.88736140  0.30033141  0.16511629
   0.59806523  0.18532810  0.49130746
   0.89449713  0.09255465  0.89195070
   0.63381473  0.44135164  0.61521465
   0.76692051  0.35745695  0.82409125
   0.58806230  0.64964696 -0.00510380
   0.91362555  0.61285027  0.38767215
   0.54808460  0.89023967  0.13724147
   0.81420074  0.83193151  0.24795512
   0.66205545  0.68427355  0.48382911
   0.86018148  0.63222987  0.89923796
   0.64153175  0.94173931  0.62862085
   0.85134373  0.86037682  0.76367710
   0.08508172  0.06997503  0.16695637
   0.33354561  0.19095466  0.28922863
   0.15049937  0.34388778  0.01395696
   0.38939933  0.43681172  0.34447533
   0.54175180  0.32155411  0.20550189
   0.28713639  0.41606072  0.17544884
   0.19364176  0.13678636  0.43669533
  -0.06055108  0.18968140  0.42969765
   0.02819042 -0.04280806  0.52355728
   0.46927536  0.23372367  0.77308870
   0.05880973  0.21072857  0.59768241
   0.37400996  0.45748764  0.84401651
   0.49020746  0.44753487  0.66623230
   0.24845782  0.33473983  0.68504869
   0.25835968  0.19635314 -0.12916866
   0.02848320  0.14088471  0.94795995
   0.14341495  0.59160267  0.08778478
   0.39154082  0.68943395  0.27207008
   0.11011336  0.84916043  0.04831757
   0.33905499  0.93824395  0.36066962
   0.39491941  0.90864937  0.17413889
   0.15965881  0.85069549  0.24773089
   0.33134233  0.63940127  0.45114599
   0.07292694  0.62203631  0.39903112
   0.17671813  0.45167444  0.53609631
   0.32370144  0.69505238  0.74866834
   0.13410029  0.71877441  0.56138856
   0.35554364  0.98994592  0.79442933
   0.48124585  0.90831817  0.64075295
   0.20758348  0.91058826  0.66292682
   0.27385400  0.66329852 -0.05753066
   0.00737998  0.67150966  0.93105859
   0.60059873  0.04657761  0.10128092
   0.85938719  0.21525924  0.25806435
   0.64449671  0.27824801  0.02190303
   0.86821008  0.45667383  0.37550000
   0.03292986  0.38006331  0.18758923
   0.77459045  0.42493777  0.14812384
   0.69519028  0.14811587  0.40211015
   0.43847529  0.16520011  0.46394814
   0.65271308  0.09762573  0.58309095
   0.83823320  0.20987143  0.81448170
   0.63529697  0.33600577  0.51964828
   0.87681040  0.47069999  0.87104948
   1.00672976  0.47673948  0.67615874
   0.75045676  0.39223814  0.70184399
   0.76814169  0.06343983  0.96100349
   0.50803418  0.07332761  0.92830437
   0.55350052  0.51779309  0.05667345
   0.86210628  0.68008241  0.28032282
   0.55160709  0.78914870  0.04706514
   0.85356988  0.95206523  0.32900284
   0.90803931  0.87148953  0.15675213
   0.65731186  0.83020049  0.21898563
   0.81882386  0.70199979  0.46072647
   0.58529601  0.59845883  0.39867575
   0.66349975  0.59965587  0.58588613
   0.80606828  0.71975458  0.81406223
   0.57699647  0.82319134  0.47617382
   0.95814554  0.94971069  0.83356422
   0.94995339  0.82719041  0.67320159
   0.71456339  0.95144089  0.73562677
   0.75305149  0.65747355  0.98573689
   0.52563198  0.63968891  0.88499661
   0.74036826  0.85070307  0.57718765
   0.48297750  0.80593724  0.50492617
   0.89586292  0.22762063  0.07105891
   0.92170429  0.39801174  0.43141837
   0.34777951  0.13184065  0.64411627
   0.23539357  0.77793802  0.75200719
   0.15839708  1.10304888  0.21316572
   0.27020228  1.10830741  0.02578809
   0.63325952  0.37947642  0.87631826
   0.90295673  0.44349847  0.67412195
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883018    0.100316   -0.019946
    -0.000000    9.752981   -0.034889
    -0.000000    0.000000   13.953894
   Si   O    H 
    32    64    10
Direct configuration=  2650
   0.17190003  0.18623941 -0.02528435
   0.33071184  0.09902206  0.38643209
   0.15217748  0.43028635  0.11017630
   0.38381551  0.33677533  0.25133370
   0.05461009  0.11672159  0.49754181
   0.40215808  0.12745342  0.84440995
   0.11299410  0.36539919  0.62450697
   0.39089916  0.37176681  0.74011549
   0.13325903  0.69852533 -0.00028411
   0.42907545  0.59001596  0.36295847
   0.06784882  0.90982834  0.15606927
   0.32024726  0.84575613  0.26496400
   0.18141769  0.60076391  0.48642687
   0.36344385  0.62161573  0.84937592
   0.07645055  0.85846813  0.60886951
   0.34742344  0.99760643  0.67961975
   0.62585282  0.12148690  1.00028196
   0.82982608  0.12078973  0.34916784
   0.62539760  0.38646598  0.10527211
   0.88686185  0.29999632  0.16582138
   0.59818777  0.18464930  0.49181010
   0.89412173  0.09202334  0.89165233
   0.63393110  0.44108704  0.61479284
   0.76644798  0.35626504  0.82487114
   0.58814668  0.65040882 -0.00493600
   0.91473875  0.61235152  0.38718323
   0.54856575  0.88883413  0.13798193
   0.81409352  0.83189902  0.24748138
   0.66115584  0.68425120  0.48331527
   0.85860687  0.63241912  0.89964723
   0.64252800  0.94124870  0.62824401
   0.85045880  0.85995817  0.76406067
   0.08683106  0.06984477  0.16854530
   0.33510875  0.19067104  0.28795382
   0.15082480  0.34464050  0.01435212
   0.38895084  0.43755263  0.34405297
   0.54165209  0.32358368  0.20497292
   0.28785902  0.41652573  0.17584786
   0.19286213  0.13837980  0.43595352
  -0.06103643  0.19089808  0.43005075
   0.02850119 -0.04354853  0.52376688
   0.46861776  0.23415705  0.77183841
   0.05992895  0.21065170  0.59793695
   0.37473907  0.45749908  0.84548800
   0.48985967  0.44868385  0.66701641
   0.24746626  0.33444670  0.68504784
   0.25686369  0.19841213 -0.12956447
   0.02710935  0.13806091  0.94813232
   0.14453679  0.59219580  0.08835833
   0.39189928  0.68940399  0.27280048
   0.10978619  0.84828657  0.04906817
   0.33936869  0.93974065  0.36101563
   0.39468644  0.90873985  0.17459607
   0.16011705  0.85083390  0.24672111
   0.33293982  0.63804028  0.45083948
   0.07384900  0.62239685  0.39880952
   0.17733476  0.45219449  0.53479167
   0.32136384  0.69628654  0.74838623
   0.13342426  0.72040144  0.56122074
   0.35710786  0.99079325  0.79363278
   0.48122998  0.90716021  0.64193064
   0.20951079  0.91146096  0.66382207
   0.27270940  0.66316748 -0.05719991
   0.00676665  0.67278331  0.93105535
   0.60335810  0.04561308  0.10043087
   0.86064157  0.21420777  0.26001291
   0.64338310  0.27917963  0.02162966
   0.86918740  0.45477433  0.37654811
   0.03296714  0.37942306  0.18524755
   0.77427887  0.42370531  0.14790474
   0.69454977  0.14695693  0.40248786
   0.43943411  0.16561196  0.46399927
   0.65252082  0.09897796  0.58368253
   0.83881408  0.20973125  0.81535083
   0.63456530  0.33742724  0.51902337
   0.87616769  0.47205947  0.87171305
   1.00590580  0.47593147  0.67477873
   0.74963554  0.39298613  0.69995428
   0.76714506  0.06477236  0.96000044
   0.50881549  0.07602364  0.92855005
   0.55311727  0.51619738  0.05620300
   0.86264996  0.68043211  0.28111524
   0.55098361  0.78761414  0.04750399
   0.85383720  0.94974846  0.32979253
   0.90654905  0.87138728  0.15668392
   0.65711457  0.83107508  0.21941905
   0.81807427  0.70198819  0.46169234
   0.58522213  0.59832672  0.39977608
   0.66567550  0.60130738  0.58543228
   0.80725332  0.72154540  0.81448555
   0.57862418  0.82354313  0.47826960
   0.95891566  0.94935673  0.83361225
   0.95098284  0.82637668  0.67319361
   0.71464851  0.95265086  0.73646973
   0.75508156  0.65789061  0.98578621
   0.52628747  0.64071511  0.88675438
   0.74078502  0.85182930  0.58027972
   0.48727842  0.80563096  0.50526291
   0.89336397  0.22793204  0.07326053
   0.91869973  0.39816095  0.43032466
   0.34766875  0.13096162  0.64167720
   0.24056839  0.76450712  0.75181166
   0.14890911  1.10275496  0.21516342
   0.27605357  1.10196546  0.02757581
   0.63969963  0.38796284  0.87393580
   0.90042845  0.43776330  0.67143900
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884127    0.102081   -0.022126
    -0.000000    9.752739   -0.033084
    -0.000000    0.000000   13.953119
   Si   O    H 
    32    64    10
Direct configuration=  2651
   0.17325103  0.18778359 -0.02521968
   0.33078439  0.09839040  0.38634593
   0.15137696  0.43171855  0.11011920
   0.38535511  0.33649833  0.25122054
   0.05395813  0.11705041  0.49770479
   0.40137877  0.12639811  0.84440881
   0.11319342  0.36449718  0.62519087
   0.38925119  0.37207827  0.74026131
   0.13261085  0.69815077 -0.00024660
   0.42886529  0.58963190  0.36253406
   0.06583942  0.90862880  0.15646316
   0.31951460  0.84612142  0.26457848
   0.18091432  0.60113429  0.48624338
   0.36276815  0.62140469  0.84842671
   0.07687671  0.85796330  0.60845389
   0.34831414  0.99925500  0.67911460
   0.62571309  0.12097537  1.00050898
   0.83012979  0.12016695  0.34920403
   0.62483706  0.38481507  0.10460888
   0.88683776  0.29993189  0.16599213
   0.59829345  0.18417431  0.49187818
   0.89397197  0.09130665  0.89129291
   0.63423803  0.43970419  0.61441140
   0.76549829  0.35537622  0.82523288
   0.58865714  0.65130923 -0.00490925
   0.91551038  0.61202699  0.38674305
   0.54979075  0.88781013  0.13863335
   0.81346752  0.83233700  0.24688691
   0.66077770  0.68422122  0.48257854
   0.85701515  0.63266929  0.90008403
   0.64325731  0.94114705  0.62804763
   0.85011574  0.85987832  0.76444993
   0.08742799  0.07043744  0.16957060
   0.33630189  0.19088567  0.28684047
   0.15173734  0.34484776  0.01484043
   0.38876200  0.43859824  0.34295612
   0.54107925  0.32593839  0.20410908
   0.28824639  0.41668143  0.17662518
   0.19244838  0.13973153  0.43514119
  -0.06098369  0.19057605  0.43038060
   0.02902814 -0.04416013  0.52387075
   0.46832867  0.23423173  0.77113429
   0.06053086  0.21109995  0.59794506
   0.37473937  0.45788365  0.84613576
   0.48908231  0.45022582  0.66754250
   0.24717922  0.33407302  0.68510025
   0.25582790  0.20001675 -0.12962881
   0.02543500  0.13537648  0.94814483
   0.14555906  0.59262990  0.08922152
   0.39240111  0.68933047  0.27347883
   0.11018153  0.84748222  0.04959666
   0.34021114  0.94054315  0.36115688
   0.39432567  0.90932007  0.17491429
   0.16087484  0.85106733  0.24545504
   0.33452021  0.63707141  0.45062432
   0.07564847  0.62224034  0.39952637
   0.17809092  0.45272750  0.53375540
   0.31896466  0.69755832  0.74906217
   0.13333710  0.72167353  0.56090597
   0.35875786  0.99116017  0.79289317
   0.48176240  0.90644863  0.64267664
   0.21102747  0.91195096  0.66440630
   0.27173253  0.66279018 -0.05700734
   0.00721365  0.67479052  0.93170951
   0.60608109  0.04383627  0.09994586
   0.86146624  0.21265706  0.26126756
   0.64245184  0.27979470  0.02153698
   0.87054112  0.45191726  0.37809992
   0.03300572  0.37896057  0.18303910
   0.77312800  0.42225505  0.14764238
   0.69276823  0.14650457  0.40283395
   0.44039800  0.16547386  0.46399371
   0.65320083  0.09983144  0.58396408
   0.83960672  0.20901909  0.81668642
   0.63399114  0.33947364  0.51860715
   0.87531579  0.47200876  0.87212022
   1.00532359  0.47479309  0.67321256
   0.74897838  0.39447578  0.69828354
   0.76661635  0.06560399  0.95892206
   0.50910706  0.07981574  0.92839101
   0.55298082  0.51456306  0.05611082
   0.86331435  0.68039187  0.28251353
   0.54953424  0.78649633  0.04834208
   0.85389382  0.94838098  0.33074030
   0.90629924  0.87186577  0.15763482
   0.65618379  0.83265413  0.21905453
   0.81627661  0.70183652  0.46242269
   0.58479107  0.59883222  0.40059484
   0.66668281  0.60260823  0.58460719
   0.80832659  0.72273981  0.81422485
   0.57941817  0.82420420  0.48024902
   0.95811378  0.94933328  0.83388635
   0.95154004  0.82514560  0.67326345
   0.71541575  0.95375402  0.73764250
   0.75752723  0.65769468  0.98563332
   0.52565116  0.64166466  0.88854591
   0.74545667  0.85294512  0.58362646
   0.49382954  0.80376391  0.50388108
   0.88817772  0.22541208  0.07513814
   0.91237053  0.40000966  0.42379222
   0.34587399  0.13598226  0.63593853
   0.25133520  0.74522948  0.75230230
   0.14484430  1.10470813  0.22159210
   0.28040207  1.09531412  0.02947727
   0.64433198  0.39461817  0.87166793
   0.90335932  0.43964597  0.67120308
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885387    0.103320   -0.024437
    -0.000000    9.753301   -0.031128
    -0.000000    0.000000   13.952328
   Si   O    H 
    32    64    10
Direct configuration=  2652
   0.17536124  0.18941009 -0.02488551
   0.33131246  0.09890765  0.38612875
   0.15106302  0.43281356  0.10997684
   0.38714306  0.33698598  0.25058492
   0.05320226  0.11677058  0.49802891
   0.40083323  0.12557865  0.84433926
   0.11335760  0.36311425  0.62577815
   0.38756740  0.37267174  0.74066788
   0.13186469  0.69727147 -0.00033469
   0.42892969  0.58920700  0.36252119
   0.06336497  0.90786605  0.15660904
   0.31920444  0.84572115  0.26492484
   0.18052652  0.60133783  0.48628908
   0.36285003  0.62123819  0.84789111
   0.07783735  0.85754292  0.60796196
   0.34957940  1.00108051  0.67855581
   0.62465211  0.12087545  1.00054831
   0.83016481  0.11959667  0.34977561
   0.62386959  0.38341716  0.10447768
   0.88633391  0.30008324  0.16625200
   0.59802950  0.18379440  0.49187801
   0.89469629  0.09043662  0.89104428
   0.63454715  0.43820742  0.61412942
   0.76484235  0.35488295  0.82540238
   0.58963998  0.65143838 -0.00540385
   0.91528789  0.61176636  0.38609372
   0.55124833  0.88694694  0.13909462
   0.81355589  0.83217866  0.24659650
   0.66073111  0.68369875  0.48201393
   0.85600282  0.63307991  0.90024300
   0.64403366  0.94134221  0.62761073
   0.85006842  0.85993406  0.76522495
   0.08767843  0.07228371  0.16989808
   0.33769297  0.19130996  0.28543706
   0.15199123  0.34509585  0.01479384
   0.38791275  0.43866030  0.34207813
   0.54136706  0.32838722  0.20294708
   0.28852811  0.41673827  0.17710225
   0.19158703  0.13992508  0.43504760
  -0.06128476  0.19034032  0.43042279
   0.02942936 -0.04440138  0.52351508
   0.46818801  0.23399354  0.77094671
   0.06109719  0.21201262  0.59742451
   0.37464966  0.45849312  0.84660489
   0.48863303  0.45146932  0.66763839
   0.24729608  0.33413799  0.68582581
   0.25461231  0.20133269 -0.12937598
   0.02397081  0.13343338  0.94880618
   0.14481851  0.59289479  0.08973949
   0.39299772  0.68970651  0.27435193
   0.11116582  0.84601978  0.05044959
   0.34082012  0.94004578  0.36103443
   0.39430031  0.90969329  0.17462183
   0.16064917  0.85087645  0.24419141
   0.33569850  0.63594835  0.45081352
   0.07689498  0.62220291  0.39991073
   0.17845442  0.45341677  0.53250015
   0.31925286  0.69651062  0.74983872
   0.13322700  0.72216094  0.55971244
   0.36025661  0.99090016  0.79203076
   0.48220574  0.90586788  0.64327149
   0.21223077  0.91264617  0.66513800
   0.27069359  0.66295053 -0.05728212
   0.00737063  0.67620991  0.93277887
   0.60859716  0.04215035  0.09972699
   0.86203232  0.21068661  0.26187010
   0.64121487  0.28008132  0.02075489
   0.87197070  0.45012342  0.37964989
   0.03311919  0.37787311  0.18086506
   0.77109225  0.42094333  0.14728966
   0.69087786  0.14606469  0.40311674
   0.44148179  0.16587270  0.46358464
   0.65437483  0.10020251  0.58433783
   0.84172174  0.20778955  0.81802380
   0.63404947  0.34204413  0.51881741
   0.87350592  0.47170004  0.87225243
   1.00477161  0.47329797  0.67225491
   0.74875348  0.39581467  0.69606296
   0.76588614  0.06615322  0.95823593
   0.50839460  0.08428404  0.92762194
   0.55310831  0.51300813  0.05664777
   0.86377198  0.68077058  0.28363970
   0.54843813  0.78617425  0.04927952
   0.85321482  0.94651562  0.33163454
   0.90611750  0.87195628  0.15867188
   0.65581037  0.83358718  0.21931905
   0.81518023  0.70181025  0.46276924
   0.58446844  0.59900739  0.40139463
   0.66774832  0.60457376  0.58401433
   0.80903163  0.72390234  0.81350729
   0.58064859  0.82633203  0.48139391
   0.95602675  0.94951978  0.83413494
   0.95139307  0.82345114  0.67374255
   0.71689544  0.95521069  0.73899014
   0.75855571  0.65778775  0.98565416
   0.52511125  0.64249069  0.89009395
   0.75054840  0.85399395  0.58599074
   0.49097507  0.80291548  0.50497621
   0.88356482  0.22049937  0.07707120
   0.91422222  0.39299379  0.42398878
   0.34666562  0.14016445  0.63007359
   0.22125194  0.75411883  0.75227469
   0.14026905  1.10521159  0.22611394
   0.27645022  1.09165582  0.03089386
   0.64234404  0.40119405  0.86871423
   0.91411505  0.44420214  0.67100440
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886610    0.105103   -0.026864
    -0.000000    9.753509   -0.029740
    -0.000000    0.000000   13.951147
   Si   O    H 
    32    64    10
Direct configuration=  2653
   0.17787417  0.19091082 -0.02462566
   0.33196628  0.09957063  0.38601002
   0.15081337  0.43412778  0.11011714
   0.38876024  0.33843845  0.25047627
   0.05315660  0.11729555  0.49860932
   0.39985595  0.12501511  0.84438284
   0.11358100  0.36213812  0.62591543
   0.38568973  0.37338039  0.74102596
   0.13174681  0.69643310 -0.00072238
   0.42896776  0.58925210  0.36219895
   0.06139209  0.90682458  0.15705727
   0.31829059  0.84496078  0.26528706
   0.17965183  0.60174325  0.48614355
   0.36275282  0.62194334  0.84698068
   0.07877786  0.85755452  0.60767001
   0.35024594  1.00289755  0.67784631
   0.62388143  0.12052444  1.00028741
   0.83046764  0.11910317  0.35022883
   0.62305513  0.38211125  0.10477652
   0.88591293  0.30037600  0.16641034
   0.59816279  0.18330258  0.49200118
   0.89564248  0.08922873  0.89116092
   0.63518363  0.43682126  0.61374472
   0.76406016  0.35466861  0.82542928
   0.59064510  0.65157278 -0.00563091
   0.91453070  0.61161225  0.38510684
   0.55237169  0.88667586  0.13906405
   0.81360939  0.83211269  0.24654756
   0.66039581  0.68273403  0.48140296
   0.85518642  0.63300423  0.90055613
   0.64525889  0.94177712  0.62778397
   0.85024793  0.86040430  0.76568727
   0.08836116  0.07438710  0.16980564
   0.33874135  0.19102851  0.28344798
   0.15237955  0.34479887  0.01523177
   0.38758213  0.43827626  0.34137475
   0.54166736  0.33014888  0.20185454
   0.28838326  0.41646013  0.17749679
   0.19017361  0.13957176  0.43535928
  -0.06166260  0.18960107  0.43114901
   0.03000460 -0.04445630  0.52346889
   0.46770694  0.23476160  0.77177474
   0.06105760  0.21202757  0.59682405
   0.37391326  0.45788841  0.84639915
   0.48792244  0.45202527  0.66727507
   0.24769692  0.33426148  0.68647190
   0.25430397  0.20134392 -0.12891702
   0.02305746  0.13253059  0.94939772
   0.14462533  0.59342555  0.09014750
   0.39448424  0.69108290  0.27486216
   0.11268515  0.84472385  0.05102785
   0.34142918  0.93934031  0.36089954
   0.39539101  0.90980900  0.17466633
   0.16032068  0.85063088  0.24320078
   0.33638677  0.63517059  0.45099614
   0.07756860  0.62261974  0.40085860
   0.17845517  0.45420024  0.53133476
   0.31903988  0.69627550  0.75096006
   0.13334577  0.72141804  0.55786785
   0.36073177  0.99038050  0.79192819
   0.48240457  0.90510540  0.64339406
   0.21314576  0.91356273  0.66562714
   0.27073819  0.66212159 -0.05769166
   0.00766767  0.67746624  0.93409907
   0.61090253  0.04030578  0.10029260
   0.86225977  0.20946978  0.26196802
   0.63994411  0.28048206  0.01978691
   0.87245679  0.44894486  0.38126899
   0.03272123  0.37607025  0.17900979
   0.76925117  0.42001496  0.14729359
   0.68905886  0.14523284  0.40292740
   0.44245616  0.16564505  0.46233959
   0.65583682  0.10062871  0.58472975
   0.84335731  0.20630699  0.81991335
   0.63389892  0.34477855  0.51929970
   0.87192985  0.47176962  0.87187411
   1.00548571  0.47120817  0.67141924
   0.74887486  0.39717946  0.69417321
   0.76595818  0.06670031  0.95774940
   0.50754840  0.08913553  0.92662743
   0.55310891  0.51239769  0.05717104
   0.86429099  0.68075127  0.28484343
   0.54823547  0.78683107  0.05053146
   0.85269699  0.94448171  0.33272002
   0.90565976  0.87205359  0.15945754
   0.65573937  0.83516948  0.21973663
   0.81565632  0.70177421  0.46225032
   0.58470009  0.59863127  0.40240794
   0.66857356  0.60544882  0.58380617
   0.81014089  0.72447698  0.81286541
   0.58115136  0.82842366  0.48226104
   0.95423159  0.95154772  0.83454833
   0.95157581  0.82249081  0.67412198
   0.71840090  0.95606822  0.73952603
   0.75863748  0.65766914  0.98635707
   0.52421317  0.64302665  0.89213658
   0.75174242  0.85672889  0.58735285
   0.48488378  0.80482135  0.50831915
   0.87970672  0.22105463  0.08082692
   0.91809488  0.37798395  0.42788937
   0.34294889  0.14246966  0.62364603
   0.21134796  0.75558686  0.75351815
   0.13485464  1.10498080  0.22656914
   0.26970138  1.09443516  0.03290691
   0.63560271  0.40314907  0.86688531
   0.91350647  0.44754118  0.66832958
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887622    0.107025   -0.029201
    -0.000000    9.753425   -0.028204
    -0.000000    0.000000   13.949863
   Si   O    H 
    32    64    10
Direct configuration=  2654
   0.17954764  0.19234649 -0.02418200
   0.33285049  0.10049262  0.38592762
   0.15067542  0.43539751  0.11059466
   0.39025021  0.33997557  0.24971495
   0.05344760  0.11748602  0.49902281
   0.39903513  0.12440548  0.84507195
   0.11322286  0.36205890  0.62627367
   0.38390692  0.37426980  0.74160430
   0.13193752  0.69599151 -0.00033200
   0.42938874  0.58952923  0.36204903
   0.06010304  0.90584945  0.15687658
   0.31787478  0.84365352  0.26536800
   0.17852808  0.60207282  0.48640640
   0.36238316  0.62213678  0.84631363
   0.08014146  0.85798886  0.60734646
   0.35034756  1.00451502  0.67711720
   0.62338283  0.12021870  1.00027617
   0.83095529  0.11864729  0.35114044
   0.62221417  0.38062992  0.10533988
   0.88526567  0.30003490  0.16657972
   0.59799649  0.18290280  0.49204887
   0.89639009  0.08810266  0.89100256
   0.63521913  0.43591818  0.61342230
   0.76347811  0.35425356  0.82511255
   0.59173386  0.65104676 -0.00604734
   0.91366942  0.61088913  0.38404884
   0.55336459  0.88723671  0.13868371
   0.81368284  0.83165372  0.24627875
   0.65995334  0.68204005  0.48095438
   0.85497237  0.63283039  0.90074385
   0.64629848  0.94286365  0.62842550
   0.85139376  0.86205913  0.76586468
   0.08908833  0.07677663  0.16952567
   0.34003841  0.18993400  0.28136775
   0.15316606  0.34421139  0.01513192
   0.38712826  0.43786825  0.34054091
   0.54126371  0.33097812  0.20128746
   0.28790778  0.41634806  0.17762309
   0.18915482  0.13948681  0.43527793
  -0.06229776  0.18894964  0.43126426
   0.03062388 -0.04399031  0.52381152
   0.46751885  0.23490633  0.77229853
   0.06087268  0.21164294  0.59576662
   0.37307430  0.45651364  0.84619890
   0.48714907  0.45194102  0.66679101
   0.24887364  0.33479126  0.68723402
   0.25367600  0.20118728 -0.12849592
   0.02222999  0.13223757  0.95039571
   0.14375157  0.59417254  0.09005192
   0.39503361  0.69382295  0.27485792
   0.11375493  0.84436310  0.05230242
   0.34232556  0.93933636  0.36090517
   0.39681701  0.91045865  0.17517391
   0.15926414  0.85011408  0.24206433
   0.33699560  0.63461562  0.45138009
   0.07778387  0.62369228  0.40183979
   0.17851319  0.45406395  0.53044842
   0.31834292  0.69682038  0.75168297
   0.13283730  0.72040900  0.55632770
   0.36172630  0.98862682  0.79208188
   0.48244421  0.90358508  0.64340513
   0.21329389  0.91446566  0.66663170
   0.27159560  0.66090571 -0.05840506
   0.00769009  0.67796442  0.93441536
   0.61384498  0.03809841  0.10154686
   0.86266587  0.20834577  0.26224781
   0.63891537  0.28154729  0.01866565
   0.87352879  0.44730451  0.38315707
   0.03168102  0.37520090  0.17737610
   0.76732848  0.41941342  0.14688753
   0.68843161  0.14476932  0.40272484
   0.44314517  0.16485633  0.46064808
   0.65773306  0.10057295  0.58470253
   0.84464396  0.20502800  0.82133911
   0.63406681  0.34747350  0.51997658
   0.87142670  0.47205714  0.87184285
   1.00688612  0.46960013  0.67017550
   0.74940364  0.39789672  0.69231587
   0.76693520  0.06665085  0.95720742
   0.50665138  0.09353045  0.92567742
   0.55231856  0.51226398  0.05765712
   0.86377607  0.68140791  0.28602106
   0.54888413  0.78737236  0.05215022
   0.85207112  0.94306602  0.33317643
   0.90626183  0.87109628  0.16004116
   0.65574761  0.83646084  0.22022023
   0.81718807  0.70167982  0.46138770
   0.58482756  0.59774007  0.40185111
   0.66930106  0.60520700  0.58422966
   0.81052529  0.72405226  0.81241642
   0.58082612  0.83096354  0.48322003
   0.95255959  0.95399528  0.83491648
   0.95182786  0.82068867  0.67488663
   0.72024496  0.95608894  0.73959929
   0.75861831  0.65818879  0.98711516
   0.52256796  0.64351316  0.89383338
   0.75326280  0.85814922  0.58739854
   0.49162231  0.80762726  0.50536538
   0.87769740  0.22086566  0.08197497
   0.91851528  0.37151101  0.42794951
   0.33893313  0.13930699  0.62135733
   0.21371517  0.75338804  0.75289822
   0.13430887  1.10516149  0.22745616
   0.26086526  1.09823831  0.03577002
   0.62905587  0.40320210  0.86426832
   0.90505061  0.45022653  0.66592534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888584    0.109144   -0.031479
    -0.000000    9.753729   -0.026963
    -0.000000    0.000000   13.948391
   Si   O    H 
    32    64    10
Direct configuration=  2655
   0.18029502  0.19353283 -0.02428946
   0.33384378  0.10104303  0.38567731
   0.15070458  0.43640966  0.11117626
   0.39161562  0.34135500  0.24885786
   0.05390700  0.11716589  0.49973771
   0.39828372  0.12409725  0.84558222
   0.11260829  0.36191811  0.62610461
   0.38238361  0.37523872  0.74239172
   0.13214571  0.69565561  0.00026066
   0.43015580  0.59027674  0.36166197
   0.05993578  0.90545850  0.15620728
   0.31792478  0.84295757  0.26527473
   0.17780871  0.60262599  0.48683633
   0.36194408  0.62186826  0.84623875
   0.08113670  0.85815177  0.60759287
   0.35052851  1.00587221  0.67640127
   0.62361476  0.12015444  1.00028555
   0.83112537  0.11773857  0.35223848
   0.62121560  0.37898501  0.10602424
   0.88477513  0.29919810  0.16680716
   0.59842894  0.18206847  0.49268400
   0.89695923  0.08687609  0.89116616
   0.63523562  0.43517225  0.61360196
   0.76267315  0.35443056  0.82469723
   0.59252303  0.65025845 -0.00603516
   0.91258766  0.61061620  0.38321892
   0.55388882  0.88769476  0.13846643
   0.81340288  0.83144857  0.24608229
   0.65956833  0.68137779  0.48099518
   0.85475969  0.63255899  0.90112642
   0.64698384  0.94370838  0.62895112
   0.85353456  0.86432616  0.76580956
   0.08892823  0.07847128  0.16883113
   0.34117088  0.18778524  0.27931615
   0.15370375  0.34369058  0.01515458
   0.38780947  0.43743036  0.33948522
   0.54128771  0.33110942  0.20051940
   0.28701577  0.41592530  0.17776582
   0.18844753  0.13865379  0.43570877
  -0.06279583  0.18830064  0.43134433
   0.03139943 -0.04364169  0.52396191
   0.46723142  0.23470100  0.77304951
   0.06045309  0.21064842  0.59464843
   0.37303258  0.45563441  0.84510462
   0.48585463  0.45109299  0.66627371
   0.25028214  0.33543827  0.68757635
   0.25365261  0.20116778 -0.12780054
   0.02156525  0.13205678  0.95143391
   0.14298105  0.59538878  0.09027286
   0.39544281  0.69675825  0.27505951
   0.11443145  0.84416475  0.05334530
   0.34315691  0.93860803  0.36072624
   0.39750031  0.91102275  0.17511502
   0.15826750  0.84941199  0.24146958
   0.33737911  0.63520361  0.45166778
   0.07727246  0.62434772  0.40210686
   0.17854849  0.45357003  0.53028915
   0.31676300  0.69813084  0.75221840
   0.13211571  0.71985642  0.55466543
   0.36227651  0.98697838  0.79254450
   0.48173341  0.90232299  0.64352055
   0.21260506  0.91483592  0.66759222
   0.27215488  0.66058387 -0.05909813
   0.00731359  0.67793223  0.93387033
   0.61653351  0.03601266  0.10227972
   0.86335531  0.20650840  0.26136085
   0.63799356  0.28184729  0.01768645
   0.87467570  0.44587931  0.38475246
   0.03006688  0.37352710  0.17612238
   0.76550716  0.41924314  0.14661493
   0.68630938  0.14499648  0.40231188
   0.44371111  0.16442265  0.45943474
   0.65932176  0.10129302  0.58464579
   0.84579499  0.20444544  0.82251538
   0.63438762  0.34900844  0.52065379
   0.87120111  0.47175202  0.87194159
   1.00685056  0.46737614  0.66942604
   0.75005782  0.39846280  0.69059628
   0.76797313  0.06575989  0.95683364
   0.50533231  0.09710973  0.92499311
   0.55109201  0.51266866  0.05771735
   0.86297142  0.68238013  0.28711227
   0.54922071  0.78799587  0.05344240
   0.85152109  0.94299450  0.33358916
   0.90662356  0.86979849  0.16015385
   0.65613180  0.83707837  0.22052921
   0.81917516  0.70213182  0.46034842
   0.58494334  0.59736848  0.40104784
   0.66997436  0.60420117  0.58477068
   0.81088366  0.72379336  0.81170872
   0.58017381  0.83308386  0.48379208
   0.95043047  0.95583819  0.83534044
   0.95210598  0.81919386  0.67525649
   0.72196350  0.95612566  0.73977008
   0.75805868  0.65831787  0.98813649
   0.52044496  0.64436470  0.89528664
   0.75592509  0.86161042  0.58594136
   0.48717025  0.81027128  0.50648170
   0.87652330  0.21898980  0.08208117
   0.91293984  0.37167254  0.42198684
   0.33839763  0.13403386  0.62049255
   0.23368596  0.74644453  0.75201520
   0.13481978  1.10705073  0.22806305
   0.25308432  1.10274919  0.03810471
   0.62598817  0.39863056  0.86051403
   0.90025772  0.45005321  0.66335389
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889310    0.111107   -0.034032
    -0.000000    9.753813   -0.025158
    -0.000000    0.000000   13.947155
   Si   O    H 
    32    64    10
Direct configuration=  2656
   0.18063290  0.19470568 -0.02414286
   0.33425552  0.10231343  0.38510920
   0.15135375  0.43776579  0.11221634
   0.39310694  0.34201568  0.24790074
   0.05384474  0.11711300  0.50032940
   0.39759682  0.12373797  0.84609810
   0.11270496  0.36140197  0.62575717
   0.38159222  0.37618765  0.74320745
   0.13268937  0.69520275  0.00064526
   0.43056619  0.59203911  0.36184838
   0.06027523  0.90533836  0.15556616
   0.31771394  0.84210596  0.26567832
   0.17778812  0.60222558  0.48704541
   0.36148142  0.62165151  0.84668707
   0.08202279  0.85818641  0.60759509
   0.35128179  1.00643184  0.67535386
   0.62438218  0.12069329  1.00023410
   0.83129853  0.11615750  0.35353393
   0.62021689  0.37770433  0.10659392
   0.88437689  0.29776828  0.16736138
   0.59899936  0.18160107  0.49340809
   0.89806359  0.08552669  0.89181871
   0.63446993  0.43501309  0.61387255
   0.76225609  0.35446969  0.82436485
   0.59345383  0.64898589 -0.00550838
   0.91154299  0.61012602  0.38266321
   0.55446761  0.88844154  0.13794089
   0.81356320  0.83122650  0.24617794
   0.65878764  0.68128147  0.48128077
   0.85551397  0.63223433  0.90104021
   0.64792362  0.94508333  0.62994658
   0.85594332  0.86632724  0.76564168
   0.08793226  0.07997951  0.16728611
   0.34232023  0.18561837  0.27781255
   0.15419330  0.34343270  0.01584050
   0.38882989  0.43721382  0.33866764
   0.54098527  0.33068168  0.20011563
   0.28595372  0.41576037  0.17838824
   0.18810439  0.13741940  0.43620131
  -0.06360312  0.18696291  0.43169906
   0.03171595 -0.04249122  0.52447952
   0.46772981  0.23519393  0.77373701
   0.06080285  0.21010182  0.59370312
   0.37289081  0.45422744  0.84415684
   0.48525838  0.45016952  0.66557157
   0.25066693  0.33602311  0.68812684
   0.25291964  0.20134010 -0.12729801
   0.02171580  0.13325336  0.95269036
   0.14221971  0.59650870  0.09048773
   0.39510948  0.69920743  0.27534536
   0.11472162  0.84393370  0.05435451
   0.34341001  0.93818939  0.36111040
   0.39875805  0.91096256  0.17446371
   0.15724918  0.84852889  0.24151364
   0.33748601  0.63596671  0.45206029
   0.07702277  0.62521394  0.40113512
   0.17841650  0.45327141  0.53021729
   0.31469665  0.69801022  0.75217314
   0.13180669  0.71947412  0.55367858
   0.36318151  0.98515545  0.79324986
   0.48104653  0.90114915  0.64335916
   0.21173676  0.91478211  0.66819223
   0.27208502  0.65971979 -0.05941159
   0.00659030  0.67729821  0.93288863
   0.61908890  0.03419344  0.10290819
   0.86421559  0.20461805  0.26026893
   0.63650592  0.28151012  0.01678343
   0.87609469  0.44473844  0.38602960
   0.02862416  0.37193180  0.17490194
   0.76462643  0.41841562  0.14644677
   0.68412573  0.14525907  0.40123070
   0.44414292  0.16422446  0.45855051
   0.66134104  0.10260847  0.58527710
   0.84724106  0.20425545  0.82333023
   0.63440712  0.34922009  0.52089194
   0.87035302  0.47162874  0.87205507
   1.00575451  0.46593960  0.66917952
   0.75076009  0.39924824  0.68880313
   0.76864680  0.06464407  0.95680952
   0.50443977  0.09916835  0.92464253
   0.54949608  0.51290850  0.05774660
   0.86227529  0.68368389  0.28773971
   0.54946872  0.78869230  0.05454716
   0.85125752  0.94382472  0.33389719
   0.90630309  0.86895094  0.15992360
   0.65687310  0.83722285  0.22113622
   0.82208650  0.70209864  0.45931341
   0.58474428  0.59653713  0.40030890
   0.67017037  0.60293248  0.58514221
   0.81122165  0.72293935  0.81122308
   0.57936503  0.83515684  0.48469085
   0.94808040  0.95697910  0.83554820
   0.95301120  0.81831869  0.67553683
   0.72330909  0.95612593  0.73954804
   0.75733986  0.65911831  0.98908615
   0.51794438  0.64463020  0.89621064
   0.75785394  0.86288841  0.58431956
   0.48180023  0.81408061  0.50678564
   0.87633893  0.21913287  0.08183848
   0.91130151  0.36978058  0.41606150
   0.33933072  0.12961224  0.61868480
   0.24498297  0.74338493  0.75089112
   0.13672290  1.11127264  0.22806717
   0.24752203  1.10775936  0.04099864
   0.62141246  0.39193674  0.85611370
   0.90185014  0.44639774  0.66237012
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890075    0.112891   -0.036750
    -0.000000    9.754195   -0.022952
    -0.000000    0.000000   13.945605
   Si   O    H 
    32    64    10
Direct configuration=  2657
   0.17974571  0.19577306 -0.02417363
   0.33441818  0.10316913  0.38450315
   0.15199277  0.43892229  0.11317955
   0.39447618  0.34264285  0.24709370
   0.05358814  0.11708277  0.50037914
   0.39698531  0.12400233  0.84612588
   0.11332281  0.36134520  0.62540241
   0.38133593  0.37717040  0.74400279
   0.13296211  0.69506894  0.00101257
   0.43106792  0.59383411  0.36218916
   0.06108284  0.90588363  0.15526067
   0.31724759  0.84219325  0.26588386
   0.17825971  0.60220403  0.48743111
   0.36123501  0.62095954  0.84718904
   0.08344583  0.85830431  0.60800822
   0.35233265  1.00677246  0.67389118
   0.62540954  0.12048656  1.00007225
   0.83137899  0.11396352  0.35477625
   0.61928060  0.37758830  0.10704459
   0.88425370  0.29616071  0.16791507
   0.59925753  0.18189321  0.49443727
   0.89858159  0.08492397  0.89280378
   0.63410860  0.43464103  0.61421821
   0.76199186  0.35427088  0.82363402
   0.59436337  0.64830872 -0.00503530
   0.91088226  0.60902202  0.38248521
   0.55469308  0.88939586  0.13782545
   0.81361048  0.83180945  0.24627602
   0.65788950  0.68113612  0.48203157
   0.85649713  0.63255995  0.90051766
   0.64944146  0.94589927  0.63095417
   0.85866732  0.86787261  0.76515481
   0.08622883  0.08113650  0.16634277
   0.34375067  0.18379294  0.27754907
   0.15503194  0.34374817  0.01665110
   0.38944928  0.43724470  0.33824907
   0.54027383  0.33005341  0.19952949
   0.28485431  0.41442454  0.17827169
   0.18761243  0.13636725  0.43690425
  -0.06390657  0.18487844  0.43167273
   0.03273086 -0.04173756  0.52559830
   0.46839166  0.23565841  0.77409618
   0.06093706  0.20944188  0.59309533
   0.37307600  0.45343955  0.84362892
   0.48488071  0.44771589  0.66457808
   0.25053182  0.33703006  0.68897394
   0.25200913  0.20166557 -0.12705538
   0.02210449  0.13430578  0.95424106
   0.14134583  0.59728156  0.09135696
   0.39534473  0.70077553  0.27557231
   0.11574446  0.84371478  0.05562359
   0.34420158  0.93756135  0.36157840
   0.39979194  0.91111344  0.17392883
   0.15566174  0.84792672  0.24152397
   0.33741143  0.63758730  0.45270022
   0.07629937  0.62644018  0.39989773
   0.17838574  0.45299729  0.53059307
   0.31488216  0.69672884  0.75237971
   0.13136757  0.71963410  0.55315442
   0.36394792  0.98370586  0.79404959
   0.48019546  0.90029637  0.64305054
   0.21062993  0.91540038  0.66806402
   0.27198783  0.65973939 -0.05992918
   0.00624076  0.67692020  0.93198868
   0.62164827  0.03307983  0.10277745
   0.86427029  0.20221357  0.25926603
   0.63508967  0.28040544  0.01586730
   0.87666694  0.44426182  0.38724879
   0.02671012  0.37108587  0.17381556
   0.76436743  0.41825701  0.14669598
   0.68253079  0.14584647  0.39965855
   0.44527366  0.16373755  0.45806350
   0.66309033  0.10464873  0.58596068
   0.84827324  0.20546753  0.82314424
   0.63416274  0.34850283  0.51999896
   0.86964420  0.47130726  0.87211585
   1.00459190  0.46479545  0.66838914
   0.75194260  0.39907851  0.68762899
   0.76915172  0.06334566  0.95737177
   0.50333476  0.10055058  0.92422507
   0.54923862  0.51369601  0.05756799
   0.86233216  0.68463292  0.28818531
   0.55051008  0.78866123  0.05452440
   0.85040684  0.94527625  0.33360897
   0.90575156  0.86832428  0.15901294
   0.65809465  0.83737304  0.22141926
   0.82529684  0.70177149  0.45812559
   0.58461561  0.59541461  0.39914924
   0.67051164  0.60093380  0.58478064
   0.81139742  0.72230939  0.81102759
   0.57793703  0.83678058  0.48551353
   0.94685728  0.95812835  0.83508466
   0.95377234  0.81730425  0.67588907
   0.72341385  0.95566287  0.73923157
   0.75555671  0.66003638  0.99058811
   0.51565531  0.64463821  0.89683971
   0.75978581  0.86539657  0.58116865
   0.48426345  0.81726748  0.50731266
   0.87584254  0.21518413  0.07834052
   0.91670451  0.35793868  0.41704020
   0.34167041  0.12733577  0.61542268
   0.21391375  0.76352512  0.74828033
   0.13233666  1.11527905  0.22138664
   0.24987733  1.11085099  0.04751195
   0.61814123  0.38312438  0.85439449
   0.90856257  0.44394736  0.66373007
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890863    0.114672   -0.039806
    -0.000000    9.754356   -0.020291
    -0.000000    0.000000   13.944252
   Si   O    H 
    32    64    10
Direct configuration=  2658
   0.17816411  0.19641473 -0.02380523
   0.33445223  0.10421595  0.38362417
   0.15254522  0.43987705  0.11366348
   0.39582142  0.34196191  0.24643272
   0.05385406  0.11723009  0.50005362
   0.39624877  0.12482554  0.84582223
   0.11403076  0.36075960  0.62454016
   0.38169183  0.37776228  0.74493916
   0.13324042  0.69511802  0.00131626
   0.43081161  0.59583126  0.36247993
   0.06190158  0.90701932  0.15494226
   0.31741839  0.84252203  0.26618080
   0.17889300  0.60262573  0.48766560
   0.36066612  0.62076708  0.84783998
   0.08549372  0.85733869  0.60857433
   0.35351939  1.00655681  0.67307479
   0.62624085  0.11958319  0.99945510
   0.83188556  0.11177348  0.35562096
   0.61876653  0.37816255  0.10775635
   0.88478921  0.29526273  0.16823735
   0.59987859  0.18195438  0.49513393
   0.89897821  0.08454007  0.89373095
   0.63295150  0.43472840  0.61475217
   0.76156741  0.35356271  0.82308847
   0.59540691  0.64750342 -0.00418455
   0.91060264  0.60794530  0.38225785
   0.55507260  0.89077390  0.13784368
   0.81346480  0.83218981  0.24703157
   0.65779902  0.68118908  0.48270414
   0.85723733  0.63227980  0.90057873
   0.65059536  0.94690524  0.63192608
   0.86077570  0.86898484  0.76455736
   0.08348567  0.08196313  0.16540646
   0.34556691  0.18180989  0.27764994
   0.15611146  0.34438262  0.01762251
   0.39032612  0.43837504  0.33784056
   0.53944861  0.32865393  0.19933688
   0.28329215  0.41341162  0.17827291
   0.18802827  0.13552123  0.43690956
  -0.06490880  0.18262292  0.43173399
   0.03349630 -0.04132509  0.52691739
   0.46863758  0.23466860  0.77410467
   0.06101243  0.20976471  0.59243887
   0.37329062  0.45293590  0.84271999
   0.48432712  0.44563078  0.66371459
   0.24921306  0.33836073  0.68938672
   0.25232941  0.20079576 -0.12730784
   0.02361239  0.13521241  0.95595636
   0.14035262  0.59705664  0.09208955
   0.39608502  0.70214356  0.27626696
   0.11618714  0.84432371  0.05625263
   0.34488594  0.93778115  0.36214214
   0.40137526  0.91135502  0.17394488
   0.15468661  0.84804939  0.24226131
   0.33648487  0.63865501  0.45341521
   0.07542264  0.62721340  0.39807254
   0.17762252  0.45227900  0.53138129
   0.31397665  0.69504411  0.75279859
   0.13059128  0.71996447  0.55282708
   0.36525298  0.98247599  0.79447940
   0.47884871  0.89948044  0.64262588
   0.21076632  0.91666623  0.66764514
   0.27079849  0.66006969 -0.06018131
   0.00592396  0.67712724  0.93090726
   0.62315843  0.03197853  0.10244486
   0.86331201  0.20028647  0.25864873
   0.63382801  0.27926402  0.01518689
   0.87762749  0.44410930  0.38800360
   0.02493475  0.37086211  0.17201691
   0.76447476  0.41714041  0.14743475
   0.68100345  0.14689163  0.39830079
   0.44644102  0.16306901  0.45789607
   0.66415218  0.10652167  0.58636951
   0.84867448  0.20725141  0.82241623
   0.63306029  0.34656933  0.51817102
   0.86789069  0.47056886  0.87244397
   1.00439782  0.46393850  0.66718305
   0.75355900  0.39834216  0.68729123
   0.76921621  0.06116600  0.95739173
   0.50224151  0.10093074  0.92455514
   0.54936333  0.51398627  0.05704755
   0.86232464  0.68573719  0.28845727
   0.55141269  0.78787929  0.05415633
   0.84955256  0.94736150  0.33329731
   0.90525152  0.86837740  0.15764445
   0.65892196  0.83765207  0.22164568
   0.82788631  0.70148723  0.45726477
   0.58508038  0.59380280  0.39836518
   0.67114416  0.59846626  0.58428826
   0.81164738  0.72190125  0.81077082
   0.57694706  0.83783785  0.48623171
   0.94564619  0.95946176  0.83488448
   0.95451015  0.81713668  0.67596773
   0.72365202  0.95488607  0.73904870
   0.75444222  0.66142694  0.99169486
   0.51316725  0.64547117  0.89664365
   0.76057500  0.86656176  0.57731545
   0.48991420  0.81872487  0.50962983
   0.87666262  0.21224800  0.07739555
   0.91873189  0.34860604  0.41618048
   0.34262570  0.12875309  0.61164452
   0.20177370  0.77501617  0.74835547
   0.13184325  1.11684004  0.21400259
   0.25455484  1.11387372  0.05115382
   0.62036011  0.37614907  0.85431187
   0.90614842  0.44121591  0.66554312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891270    0.115700   -0.042467
    -0.000000    9.754425   -0.017601
    -0.000000    0.000000   13.943271
   Si   O    H 
    32    64    10
Direct configuration=  2659
   0.17624732  0.19680555 -0.02346122
   0.33467096  0.10574749  0.38217761
   0.15248636  0.44032753  0.11448985
   0.39633615  0.34118823  0.24549880
   0.05459898  0.11702617  0.49925914
   0.39540518  0.12623577  0.84558464
   0.11520355  0.35968251  0.62345938
   0.38300140  0.37765011  0.74561384
   0.13289635  0.69545801  0.00170010
   0.43135898  0.59803171  0.36295129
   0.06229457  0.90864274  0.15454640
   0.31753946  0.84282422  0.26618470
   0.18015102  0.60354256  0.48730783
   0.36033093  0.62043480  0.84897822
   0.08704032  0.85650560  0.60902903
   0.35408850  1.00573183  0.67229600
   0.62697216  0.11828974  0.99874896
   0.83268281  0.10982127  0.35682567
   0.61863177  0.37906597  0.10817694
   0.88509107  0.29449857  0.16850297
   0.60110592  0.18241815  0.49570132
   0.89974530  0.08512201  0.89409268
   0.63187056  0.43530820  0.61487837
   0.76121291  0.35313794  0.82231543
   0.59676021  0.64664559 -0.00374108
   0.91095476  0.60624765  0.38238683
   0.55547121  0.89218983  0.13790321
   0.81323820  0.83261560  0.24804088
   0.65852150  0.68182665  0.48326632
   0.85771007  0.63264934  0.90055377
   0.65193713  0.94718108  0.63281836
   0.86299644  0.87002043  0.76423775
   0.07997113  0.08137827  0.16388976
   0.34738346  0.18053176  0.27826380
   0.15723952  0.34528632  0.01817987
   0.39145349  0.43948481  0.33735054
   0.53862026  0.32738127  0.19875383
   0.28169842  0.41247127  0.17805867
   0.18953855  0.13543470  0.43656562
  -0.06572803  0.18039547  0.43198524
   0.03484298 -0.04033614  0.52798406
   0.46779426  0.23445326  0.77403084
   0.06148637  0.21039367  0.59201536
   0.37329288  0.45261347  0.84252153
   0.48270149  0.44378978  0.66263959
   0.24734801  0.33865733  0.68888268
   0.25243536  0.19886286 -0.12764264
   0.02508015  0.13595773  0.95751825
   0.13929156  0.59699782  0.09290177
   0.39671925  0.70311840  0.27714841
   0.11629938  0.84521513  0.05647902
   0.34484490  0.93838755  0.36224478
   0.40200907  0.91187480  0.17406212
   0.15361946  0.84908314  0.24246502
   0.33609290  0.63972800  0.45385896
   0.07426614  0.62782077  0.39612406
   0.17707716  0.45079335  0.53171449
   0.31223827  0.69370379  0.75249828
   0.12957355  0.72038538  0.55356852
   0.36583915  0.98173231  0.79457303
   0.47862822  0.89909368  0.64178894
   0.21040637  0.91771153  0.66665146
   0.26940926  0.66014406 -0.05990778
   0.00550430  0.67726320  0.93015991
   0.62404702  0.03146346  0.10239101
   0.86192061  0.19928802  0.25786028
   0.63279177  0.27850454  0.01481087
   0.87901687  0.44385838  0.38924366
   0.02341427  0.37156612  0.17029296
   0.76541200  0.41567400  0.14805045
   0.67978971  0.14743771  0.39696096
   0.44756001  0.16183255  0.45772341
   0.66500585  0.10741530  0.58664021
   0.84895579  0.20934293  0.82136557
   0.63176209  0.34520397  0.51653662
   0.86554652  0.46951957  0.87324233
   1.00377790  0.46304585  0.66658418
   0.75515929  0.39715786  0.68749025
   0.76912056  0.05896813  0.95792836
   0.50125430  0.10063299  0.92545195
   0.54930990  0.51405636  0.05713549
   0.86271687  0.68679949  0.28843609
   0.55225752  0.78705280  0.05434652
   0.84822115  0.94968528  0.33283441
   0.90512738  0.86849952  0.15653003
   0.65953715  0.83820035  0.22210699
   0.82876101  0.70112495  0.45695247
   0.58539919  0.59224717  0.39760068
   0.67146585  0.59589137  0.58394874
   0.81177375  0.72204291  0.81101016
   0.57647109  0.83891712  0.48650147
   0.94514708  0.95969335  0.83485444
   0.95577700  0.81695047  0.67551672
   0.72257427  0.95434673  0.73886315
   0.75392517  0.66276296  0.99281692
   0.51060829  0.64701476  0.89517148
   0.76051743  0.86831198  0.57628083
   0.48657600  0.82075216  0.51344693
   0.87629094  0.20827738  0.07899178
   0.91420389  0.34949514  0.41093376
   0.34483303  0.13253141  0.60802439
   0.19953011  0.77983327  0.74800728
   0.14303196  1.12699891  0.21738408
   0.25768529  1.11762303  0.05092994
   0.62415814  0.36757545  0.85617685
   0.89970709  0.43776953  0.66874980
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891972    0.116663   -0.045145
    -0.000000    9.754674   -0.015274
    -0.000000    0.000000   13.942057
   Si   O    H 
    32    64    10
Direct configuration=  2660
   0.17418959  0.19680765 -0.02297436
   0.33482551  0.10727808  0.38100794
   0.15242643  0.43963935  0.11493531
   0.39593336  0.34082586  0.24439182
   0.05463205  0.11700084  0.49816320
   0.39368800  0.12773593  0.84507210
   0.11600353  0.35889622  0.62210529
   0.38431273  0.37732269  0.74597117
   0.13226314  0.69571540  0.00218416
   0.43133210  0.59953368  0.36365105
   0.06319319  0.91111373  0.15410505
   0.31748781  0.84313288  0.26614463
   0.18119282  0.60435199  0.48671079
   0.36077380  0.62031916  0.85031579
   0.08811809  0.85607253  0.60929049
   0.35459970  1.00464968  0.67181258
   0.62800417  0.11670529  0.99829597
   0.83319614  0.10772329  0.35774827
   0.61901881  0.38031964  0.10884831
   0.88557611  0.29408492  0.16864500
   0.60274883  0.18307374  0.49590855
   0.90081325  0.08563551  0.89462208
   0.63131188  0.43555966  0.61478410
   0.76170555  0.35316867  0.82140116
   0.59754671  0.64628335 -0.00292220
   0.91173318  0.60482456  0.38264683
   0.55642681  0.89387819  0.13806240
   0.81406921  0.83308123  0.24907176
   0.65932860  0.68230835  0.48371480
   0.85850828  0.63291714  0.90092071
   0.65316386  0.94719764  0.63339589
   0.86448971  0.87049530  0.76362245
   0.07710273  0.08063560  0.16271905
   0.34978778  0.17895076  0.27851314
   0.15822024  0.34669595  0.01908514
   0.39308569  0.44048448  0.33724997
   0.53842626  0.32597161  0.19816402
   0.28108947  0.41147444  0.17793567
   0.19021367  0.13424767  0.43645585
  -0.06748191  0.17857928  0.43257603
   0.03525262 -0.03918920  0.52835146
   0.46679846  0.23425109  0.77371119
   0.06161939  0.21087543  0.59176414
   0.37256460  0.45266442  0.84203271
   0.48140014  0.44194531  0.66214008
   0.24572955  0.33881321  0.68833769
   0.25141240  0.19595462 -0.12809473
   0.02643126  0.13640233  0.95872551
   0.13820252  0.59791332  0.09338132
   0.39735793  0.70463119  0.27831671
   0.11668886  0.84595498  0.05618576
   0.34477201  0.93852546  0.36203764
   0.40299016  0.91265738  0.17414865
   0.15281480  0.85057465  0.24341874
   0.33593307  0.63973753  0.45399589
   0.07377160  0.62839082  0.39439720
   0.17646912  0.44932816  0.53183380
   0.30991269  0.69269967  0.75206856
   0.12902048  0.72141998  0.55431992
   0.36590125  0.98147877  0.79425128
   0.47826179  0.89933700  0.64077596
   0.21009666  0.91854929  0.66565700
   0.26765005  0.66091038 -0.05927134
   0.00400265  0.67777548  0.92983660
   0.62345360  0.03079579  0.10196907
   0.86030366  0.19891703  0.25645200
   0.63220914  0.27791789  0.01401533
   0.87984867  0.44401886  0.39020415
   0.02292055  0.37369232  0.16895905
   0.76674680  0.41460651  0.14885021
   0.67829059  0.14799686  0.39574510
   0.44797773  0.16095231  0.45776823
   0.66554825  0.10785353  0.58641775
   0.84877577  0.21086308  0.82030173
   0.63049592  0.34413908  0.51535657
   0.86309248  0.46884888  0.87404551
   1.00319646  0.46276573  0.66593881
   0.75661164  0.39593216  0.68856019
   0.76912417  0.05673146  0.95817408
   0.50115406  0.09986868  0.92683364
   0.54880707  0.51380747  0.05737543
   0.86359694  0.68672692  0.28786890
   0.55248719  0.78585838  0.05402503
   0.84670140  0.95200558  0.33243267
   0.90454105  0.86855398  0.15563693
   0.66014904  0.83871563  0.22282934
   0.82841239  0.70130017  0.45769239
   0.58573314  0.59126670  0.39695714
   0.67167963  0.59381497  0.58333618
   0.81261230  0.72254043  0.81137728
   0.57645030  0.83923859  0.48617711
   0.94552846  0.95933358  0.83442693
   0.95771759  0.81745700  0.67600583
   0.72146003  0.95340492  0.73880122
   0.75300234  0.66432991  0.99326977
   0.50834420  0.64816677  0.89365374
   0.75667582  0.87061233  0.57765001
   0.48334501  0.82377209  0.51786964
   0.87314812  0.20799934  0.08185842
   0.91129453  0.35308335  0.40430903
   0.34424095  0.13421254  0.60842588
   0.21480000  0.77383049  0.74659663
   0.14685948  1.12959340  0.21336532
   0.25435194  1.11984879  0.04817889
   0.62428968  0.35758108  0.85725262
   0.90164277  0.43847173  0.67219768
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892520    0.117093   -0.047471
    -0.000000    9.754928   -0.013117
    -0.000000    0.000000   13.941143
   Si   O    H 
    32    64    10
Direct configuration=  2661
   0.17265163  0.19665880 -0.02234213
   0.33465186  0.10887933  0.38010485
   0.15155930  0.43934960  0.11515788
   0.39557502  0.33992154  0.24375425
   0.05493948  0.11657994  0.49703243
   0.39307320  0.12927506  0.84445815
   0.11672245  0.35928795  0.62081445
   0.38547445  0.37692499  0.74594354
   0.13178498  0.69617205  0.00266506
   0.43127010  0.60090053  0.36425164
   0.06410672  0.91335616  0.15374166
   0.31745023  0.84405637  0.26604776
   0.18165734  0.60420709  0.48634834
   0.36173073  0.62070133  0.85159028
   0.08877884  0.85600398  0.60929669
   0.35446323  1.00358543  0.67142756
   0.62952802  0.11475975  0.99782256
   0.83316080  0.10641481  0.35808109
   0.61920164  0.38122628  0.10906429
   0.88606940  0.29372164  0.16846550
   0.60387250  0.18421955  0.49596431
   0.90116146  0.08624988  0.89559568
   0.63124502  0.43631882  0.61460679
   0.76224869  0.35286745  0.81988999
   0.59786410  0.64599287 -0.00223214
   0.91239817  0.60386830  0.38294713
   0.55772770  0.89457135  0.13847627
   0.81523082  0.83362531  0.25014349
   0.66073627  0.68285434  0.48416699
   0.85929964  0.63318339  0.90126596
   0.65449493  0.94704583  0.63373436
   0.86579029  0.87040480  0.76325104
   0.07480515  0.08019131  0.16184199
   0.35221297  0.17800482  0.27886529
   0.15971824  0.34883522  0.02001275
   0.39457695  0.44145995  0.33706087
   0.53794026  0.32419260  0.19768057
   0.28071219  0.40988058  0.17748487
   0.19106170  0.13339841  0.43637138
  -0.06917260  0.17598910  0.43329116
   0.03593459 -0.03689886  0.52799991
   0.46650281  0.23389894  0.77282999
   0.06115223  0.21025846  0.59117708
   0.37159434  0.45278739  0.84162921
   0.48059849  0.44017409  0.66195800
   0.24416431  0.33877667  0.68800252
   0.25003498  0.19267160 -0.12847617
   0.02749159  0.13702899  0.96028876
   0.13803836  0.59875300  0.09381344
   0.39820174  0.70578869  0.27965810
   0.11756423  0.84700371  0.05622742
   0.34469891  0.93896158  0.36148198
   0.40347732  0.91405084  0.17442862
   0.15194561  0.85215653  0.24452515
   0.33634196  0.63966252  0.45440576
   0.07285721  0.62846581  0.39292589
   0.17698207  0.44876087  0.53162418
   0.30742733  0.69225227  0.75143105
   0.12799975  0.72188838  0.55512450
   0.36612210  0.98168607  0.79426905
   0.47867533  0.89988862  0.63992356
   0.21006198  0.91856073  0.66489092
   0.26601562  0.66223200 -0.05855102
   0.00309024  0.67765689  0.92986046
   0.62318557  0.03067513  0.10120101
   0.85862171  0.19866826  0.25542924
   0.63179762  0.27751898  0.01267257
   0.88041385  0.44456906  0.39082806
   0.02278579  0.37522449  0.16758448
   0.76927317  0.41381099  0.14986441
   0.67778423  0.14860832  0.39434716
   0.44804859  0.15983928  0.45861693
   0.66577884  0.10688792  0.58661145
   0.84938694  0.21329234  0.81924130
   0.62978088  0.34308496  0.51430911
   0.86114331  0.46862780  0.87466753
   1.00255501  0.46206608  0.66582008
   0.75870109  0.39520828  0.68952033
   0.76915448  0.05382173  0.95889168
   0.50098639  0.09874289  0.92855909
   0.54835202  0.51381252  0.05724993
   0.86346892  0.68640481  0.28664826
   0.55184562  0.78484755  0.05356415
   0.84518004  0.95379954  0.33185730
   0.90426118  0.86911627  0.15523228
   0.66042180  0.83853966  0.22360270
   0.82792180  0.70142987  0.45908612
   0.58613733  0.59047892  0.39697959
   0.67173581  0.59190879  0.58327550
   0.81320578  0.72288600  0.81147317
   0.57536609  0.83892572  0.48663095
   0.94677148  0.95888982  0.83460930
   0.96038667  0.81841096  0.67734856
   0.71981910  0.95293750  0.73852727
   0.75305677  0.66552134  0.99376082
   0.50759901  0.64918686  0.89299395
   0.75313092  0.87146688  0.58163332
   0.48788139  0.82663052  0.51977057
   0.86969961  0.20931950  0.08565578
   0.90948607  0.35583903  0.39660030
   0.34677652  0.13176868  0.60981732
   0.23937399  0.75847320  0.74758379
   0.14591456  1.12417677  0.20433507
   0.25733543  1.11829985  0.04473859
   0.62395978  0.35204596  0.85928920
   0.90680890  0.43856143  0.67642360
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893027    0.117260   -0.049550
    -0.000000    9.755317   -0.010589
    -0.000000    0.000000   13.940215
   Si   O    H 
    32    64    10
Direct configuration=  2662
   0.17167896  0.19697108 -0.02157085
   0.33529236  0.11095395  0.37976197
   0.15072153  0.43847123  0.11530752
   0.39544473  0.33910835  0.24397476
   0.05574186  0.11633663  0.49576065
   0.39299136  0.13054605  0.84375243
   0.11698986  0.35981718  0.62017215
   0.38677823  0.37653997  0.74502862
   0.13035379  0.69718929  0.00310823
   0.43120594  0.60159269  0.36453128
   0.06480596  0.91531442  0.15344859
   0.31765896  0.84512419  0.26615544
   0.18151961  0.60421727  0.48581657
   0.36311411  0.62045383  0.85258423
   0.08896781  0.85594532  0.60900026
   0.35444416  1.00254963  0.67146149
   0.63130236  0.11355192  0.99774186
   0.83265091  0.10557845  0.35816537
   0.62047471  0.38297759  0.10908778
   0.88620885  0.29341792  0.16820357
   0.60462205  0.18548909  0.49581346
   0.90101406  0.08710239  0.89645500
   0.63109759  0.43743775  0.61439403
   0.76248668  0.35340355  0.81834760
   0.59730201  0.64626781 -0.00175930
   0.91246959  0.60285953  0.38281633
   0.55888245  0.89512333  0.13860822
   0.81687113  0.83444874  0.25116361
   0.66244358  0.68382449  0.48437355
   0.86006680  0.63319391  0.90213607
   0.65548209  0.94741575  0.63340849
   0.86664425  0.86991282  0.76285331
   0.07365524  0.07965244  0.16139771
   0.35416246  0.17785671  0.27854052
   0.16185401  0.35035766  0.02035899
   0.39595612  0.44154991  0.33700233
   0.53686064  0.32230856  0.19722885
   0.28062715  0.40888510  0.17688681
   0.19174163  0.13278022  0.43582162
  -0.07042905  0.17401604  0.43390052
   0.03558896 -0.03491763  0.52777328
   0.46620384  0.23351856  0.77167909
   0.06081258  0.21034476  0.59036091
   0.36994815  0.45333864  0.84154170
   0.48039911  0.43856633  0.66138113
   0.24296317  0.33844651  0.68799421
   0.24902849  0.19009278 -0.12841084
   0.02838382  0.13760801  0.96134341
   0.13824731  0.59949358  0.09375896
   0.39929026  0.70624803  0.28101028
   0.11885113  0.84701816  0.05583600
   0.34413741  0.93912512  0.36143028
   0.40401857  0.91594385  0.17460447
   0.15142350  0.85388013  0.24561480
   0.33691110  0.63917732  0.45516645
   0.07199933  0.62800436  0.39199439
   0.17728991  0.44838852  0.53095994
   0.30509440  0.69109829  0.75126897
   0.12702208  0.72165375  0.55550576
   0.36603230  0.98200395  0.79452991
   0.47960222  0.90072027  0.63916288
   0.20996959  0.91834179  0.66422644
   0.26485508  0.66361726 -0.05797165
   0.00329026  0.67784346  0.93023894
   0.62268125  0.03110258  0.10090849
   0.85645403  0.19889702  0.25497457
   0.63159793  0.27729935  0.01212060
   0.88109349  0.44510885  0.39138012
   0.02298363  0.37674475  0.16646613
   0.77133962  0.41313495  0.15079559
   0.67755410  0.14874151  0.39276872
   0.44799126  0.15887819  0.45873609
   0.66600084  0.10587336  0.58661410
   0.85019512  0.21386988  0.81825654
   0.62893917  0.34239726  0.51375499
   0.85918816  0.46798205  0.87476699
   1.00186423  0.46156405  0.66633487
   0.75976564  0.39460776  0.69047809
   0.76913595  0.05086497  0.95946750
   0.50111006  0.09715533  0.93006156
   0.54804696  0.51413425  0.05743609
   0.86402935  0.68530063  0.28593132
   0.55073166  0.78445925  0.05352433
   0.84310703  0.95474914  0.33095302
   0.90417800  0.86913997  0.15455409
   0.66004506  0.83814592  0.22458655
   0.82686853  0.70037921  0.46011772
   0.58686753  0.58910990  0.39693943
   0.67147871  0.58979930  0.58312473
   0.81324340  0.72424145  0.81157135
   0.57408068  0.83767109  0.48777945
   0.94716751  0.95833847  0.83567949
   0.96289185  0.81910327  0.67817173
   0.71758724  0.95207108  0.73862009
   0.75458516  0.66667123  0.99375259
   0.50695292  0.65057516  0.89195638
   0.75400144  0.86635610  0.58281880
   0.49228009  0.82777604  0.52114984
   0.86844928  0.20846469  0.08717637
   0.91287528  0.34890665  0.39173410
   0.34948926  0.12722300  0.61165287
   0.25522776  0.75525338  0.74814457
   0.14423741  1.11708508  0.19439997
   0.26074290  1.11734026  0.04101971
   0.62267821  0.34699548  0.86068086
   0.91244164  0.43985664  0.67931664
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893886    0.117321   -0.051524
    -0.000000    9.755533   -0.007880
    -0.000000    0.000000   13.939509
   Si   O    H 
    32    64    10
Direct configuration=  2663
   0.17131409  0.19742465 -0.02138552
   0.33638340  0.11313008  0.37961266
   0.15005474  0.43767077  0.11506683
   0.39491697  0.33811178  0.24428149
   0.05700166  0.11705016  0.49502700
   0.39346504  0.13153723  0.84340233
   0.11663346  0.36034193  0.61970716
   0.38803124  0.37541295  0.74377066
   0.12859020  0.69826666  0.00317013
   0.43089533  0.60242886  0.36525151
   0.06534770  0.91697202  0.15350711
   0.31791335  0.84660979  0.26618067
   0.18133430  0.60367311  0.48474768
   0.36403297  0.62014826  0.85357271
   0.08806026  0.85622303  0.60881104
   0.35453049  1.00060784  0.67161924
   0.63304989  0.11155040  0.99766309
   0.83273752  0.10499754  0.35879955
   0.62230171  0.38469911  0.10898589
   0.88600197  0.29325231  0.16710836
   0.60558159  0.18583223  0.49601849
   0.90076920  0.08867184  0.89696970
   0.63118877  0.43902206  0.61362657
   0.76268790  0.35454191  0.81715596
   0.59700379  0.64630683 -0.00097748
   0.91225388  0.60198964  0.38280536
   0.55948084  0.89589055  0.13891665
   0.81780166  0.83568870  0.25211332
   0.66414017  0.68452432  0.48448345
   0.86022594  0.63302555  0.90301148
   0.65612962  0.94760540  0.63309614
   0.86666704  0.86866303  0.76225525
   0.07254552  0.07817135  0.16033769
   0.35666585  0.17884967  0.27837357
   0.16340160  0.35281128  0.02062258
   0.39721299  0.44101474  0.33649236
   0.53602773  0.31958719  0.19651560
   0.28131344  0.40784814  0.17664067
   0.19175507  0.13185627  0.43584445
  -0.07150310  0.17234570  0.43396267
   0.03600092 -0.03291080  0.52791103
   0.46622371  0.23343992  0.77078045
   0.06025604  0.21114497  0.59001317
   0.36795899  0.45438558  0.84202531
   0.48029616  0.43728161  0.66087040
   0.24245398  0.33861751  0.68818643
   0.24721211  0.18779240 -0.12801722
   0.02765358  0.13877531  0.96216656
   0.13911030  0.59988057  0.09422949
   0.40031258  0.70670522  0.28224480
   0.11994264  0.84621445  0.05561726
   0.34375512  0.94037744  0.36139052
   0.40397915  0.91757973  0.17464459
   0.15163196  0.85565501  0.24692568
   0.33826612  0.63898122  0.45552334
   0.07214046  0.62708700  0.39076635
   0.17728567  0.44841584  0.52999753
   0.30450674  0.68766307  0.75131124
   0.12608564  0.72036544  0.55543891
   0.36614983  0.98327033  0.79404070
   0.48180926  0.90148366  0.63814363
   0.20961344  0.91848663  0.66381295
   0.26316097  0.66445085 -0.05774492
   0.00373054  0.67857919  0.93107357
   0.62217035  0.03262918  0.10031717
   0.85474377  0.19926797  0.25505125
   0.63171201  0.27743652  0.01173521
   0.88240525  0.44491473  0.39172532
   0.02340857  0.37809770  0.16576818
   0.77283893  0.41318627  0.15182117
   0.67783414  0.14862247  0.39156434
   0.44731472  0.15856426  0.45843660
   0.66646551  0.10458362  0.58708113
   0.85082968  0.21376087  0.81755777
   0.62797198  0.34219061  0.51326017
   0.85655175  0.46753243  0.87472215
   1.00177657  0.46077249  0.66671686
   0.76084392  0.39445421  0.69195724
   0.76933109  0.04800134  0.95965699
   0.50094281  0.09567532  0.93180304
   0.54789617  0.51480271  0.05798156
   0.86436866  0.68386121  0.28469965
   0.54942284  0.78395844  0.05320247
   0.84125517  0.95497789  0.33022330
   0.90411340  0.86941962  0.15365155
   0.65929953  0.83848146  0.22532395
   0.82462985  0.69960624  0.46078875
   0.58789673  0.58817465  0.39724200
   0.67195325  0.58839008  0.58323120
   0.81339587  0.72543563  0.81141118
   0.57290812  0.83621475  0.48810809
   0.94763766  0.95740852  0.83728238
   0.96579006  0.82006458  0.67878015
   0.71624341  0.95120562  0.73943186
   0.75704433  0.66801220  0.99383313
   0.50664184  0.65232514  0.89124838
   0.75408466  0.85934021  0.58305665
   0.48856016  0.82797175  0.52732469
   0.86947792  0.20722253  0.08241768
   0.92023696  0.34526859  0.38856177
   0.34882563  0.12314054  0.61344324
   0.23605454  0.79487347  0.74662880
   0.15383582  1.11481690  0.18726490
   0.26462113  1.11159353  0.03701184
   0.61925270  0.34666547  0.85943941
   0.90780559  0.44062091  0.68258562
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895188    0.116762   -0.053513
    -0.000000    9.755894   -0.004940
    -0.000000    0.000000   13.938898
   Si   O    H 
    32    64    10
Direct configuration=  2664
   0.17095789  0.19785342 -0.02132490
   0.33698009  0.11499751  0.37981155
   0.14935583  0.43667953  0.11448728
   0.39400828  0.33675733  0.24494957
   0.05820412  0.11790767  0.49462497
   0.39401155  0.13193366  0.84334386
   0.11573634  0.36130182  0.61903073
   0.38895726  0.37446872  0.74188756
   0.12743008  0.69890145  0.00321633
   0.43060754  0.60294700  0.36576080
   0.06572694  0.91866079  0.15399044
   0.31817560  0.84860873  0.26597710
   0.18067385  0.60304504  0.48348100
   0.36423853  0.62077947  0.85415449
   0.08713596  0.85634420  0.60835626
   0.35470070  0.99867644  0.67196430
   0.63503353  0.10953405  0.99720775
   0.83184821  0.10575109  0.35906557
   0.62393223  0.38621073  0.10859981
   0.88542057  0.29321358  0.16617977
   0.60628362  0.18583135  0.49608473
   0.90065357  0.09115291  0.89770256
   0.63134853  0.44017891  0.61321399
   0.76328983  0.35581920  0.81559664
   0.59580332  0.64652350 -0.00046022
   0.91163440  0.60169177  0.38271044
   0.55971926  0.89661621  0.13900291
   0.81839245  0.83640520  0.25295295
   0.66548208  0.68520035  0.48476477
   0.86003509  0.63371876  0.90355927
   0.65639868  0.94713290  0.63276399
   0.86646333  0.86797772  0.76182537
   0.07111977  0.07726145  0.15919558
   0.35861389  0.17993167  0.27785745
   0.16488504  0.35441688  0.02059434
   0.39857032  0.44075814  0.33658719
   0.53506409  0.31656149  0.19598004
   0.28158694  0.40659359  0.17568308
   0.19163149  0.13081414  0.43529573
  -0.07225073  0.17069754  0.43393658
   0.03531834 -0.03196329  0.52801289
   0.46661117  0.23328467  0.77008193
   0.05949364  0.21131268  0.58941968
   0.36601136  0.45551869  0.84310740
   0.48027006  0.43541376  0.66008231
   0.24251081  0.33833430  0.68803258
   0.24511952  0.18530018 -0.12720335
   0.02683307  0.13966418  0.96260689
   0.13965127  0.60003137  0.09500184
   0.40088126  0.70680733  0.28306292
   0.12165796  0.84595458  0.05528948
   0.34401682  0.94247339  0.36150456
   0.40375434  0.91893678  0.17468708
   0.15214895  0.85747883  0.24776492
   0.33835077  0.63900664  0.45605375
   0.07308095  0.62681092  0.38934446
   0.17690993  0.44883394  0.52895807
   0.30388533  0.68479094  0.75203715
   0.12541851  0.71910730  0.55530715
   0.36635190  0.98448022  0.79294029
   0.48456783  0.90256995  0.63749757
   0.20993521  0.91893264  0.66330027
   0.26150994  0.66522760 -0.05818145
   0.00443634  0.67908706  0.93159336
   0.62244912  0.03409687  0.09965465
   0.85340455  0.19826453  0.25623015
   0.63171963  0.27818074  0.01172756
   0.88328811  0.44375979  0.39208038
   0.02338603  0.37914149  0.16595523
   0.77458048  0.41350351  0.15236652
   0.67879312  0.14783971  0.39083389
   0.44616063  0.15779477  0.45854712
   0.66643352  0.10269673  0.58768431
   0.85161670  0.21268941  0.81714851
   0.62724315  0.34231366  0.51312496
   0.85428747  0.46773932  0.87511818
   1.00242804  0.46075703  0.66745397
   0.76111693  0.39408294  0.69320677
   0.77113515  0.04525658  0.96014346
   0.50039786  0.09397041  0.93380851
   0.54756692  0.51564790  0.05889283
   0.86467372  0.68295438  0.28387131
   0.54906548  0.78332827  0.05306348
   0.84013705  0.95462011  0.32961106
   0.90385348  0.86925004  0.15344405
   0.65873957  0.83829154  0.22588259
   0.82299674  0.69959364  0.46098957
   0.58921534  0.58748621  0.39802104
   0.67168753  0.58682930  0.58333164
   0.81427796  0.72684087  0.81130574
   0.57256566  0.83299073  0.48891024
   0.94879620  0.95655005  0.83868307
   0.96773892  0.82087439  0.67943947
   0.71643292  0.94965863  0.74064446
   0.75911993  0.66941632  0.99305748
   0.50751566  0.65443476  0.89136143
   0.75249821  0.85362768  0.58203452
   0.48758675  0.82782824  0.53474530
   0.87288714  0.20348975  0.07764336
   0.92348951  0.35281497  0.38590067
   0.34761435  0.12394084  0.61507744
   0.23072692  0.81967815  0.74767384
   0.16648910  1.11786663  0.18345163
   0.26963047  1.10822990  0.03223636
   0.62051837  0.34684655  0.85790259
   0.90239728  0.44067088  0.68303082
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896479    0.116536   -0.054723
    -0.000000    9.756363   -0.001772
    -0.000000    0.000000   13.937780
   Si   O    H 
    32    64    10
Direct configuration=  2665
   0.17193436  0.19812976 -0.02107806
   0.33716852  0.11618532  0.37994160
   0.14868549  0.43649373  0.11419533
   0.39306824  0.33534666  0.24589504
   0.05912353  0.11913766  0.49401178
   0.39497541  0.13238840  0.84378529
   0.11525379  0.36244025  0.61836125
   0.38943213  0.37344896  0.73990835
   0.12668237  0.69931900  0.00334639
   0.43079165  0.60285705  0.36628008
   0.06615787  0.91945908  0.15482468
   0.31859388  0.85045695  0.26635328
   0.18053257  0.60295549  0.48183546
   0.36403846  0.62167441  0.85423270
   0.08599876  0.85633039  0.60769786
   0.35487767  0.99654730  0.67281632
   0.63702194  0.10793358  0.99698743
   0.83092375  0.10724043  0.35900258
   0.62529521  0.38693803  0.10826760
   0.88485277  0.29260634  0.16528462
   0.60656134  0.18545465  0.49575238
   0.90074100  0.09343106  0.89776339
   0.63182637  0.44075906  0.61303100
   0.76412495  0.35661319  0.81372739
   0.59444223  0.64601709 -0.00047002
   0.91105252  0.60149888  0.38264834
   0.55940637  0.89696963  0.13929238
   0.81913337  0.83654985  0.25336273
   0.66640530  0.68653074  0.48510077
   0.85987612  0.63429811  0.90372824
   0.65617483  0.94658595  0.63235293
   0.86589080  0.86714908  0.76155987
   0.07094353  0.07782434  0.15809763
   0.35940169  0.18250734  0.27719234
   0.16611367  0.35546718  0.02046582
   0.39927660  0.44121877  0.33676344
   0.53443424  0.31379190  0.19546884
   0.28299342  0.40465418  0.17513910
   0.19163379  0.13054833  0.43380259
  -0.07320299  0.16997665  0.43393376
   0.03414980 -0.03186449  0.52828793
   0.46675414  0.23320546  0.77002058
   0.05886996  0.21155080  0.58880198
   0.36500808  0.45606809  0.84347869
   0.47977566  0.43338093  0.65941647
   0.24322265  0.33784494  0.68823292
   0.24314596  0.18319631 -0.12622533
   0.02541357  0.14032113  0.96295688
   0.14085111  0.59965241  0.09559167
   0.40095430  0.70811012  0.28352830
   0.12286326  0.84513557  0.05532230
   0.34497264  0.94495979  0.36260163
   0.40419140  0.91960826  0.17466723
   0.15258039  0.86011430  0.24927133
   0.33820151  0.63867499  0.45649830
   0.07399784  0.62700343  0.38847776
   0.17726652  0.44924794  0.52776699
   0.30331554  0.68225504  0.75270779
   0.12466499  0.71829150  0.55501142
   0.36716526  0.98532713  0.79185498
   0.48748058  0.90364098  0.63655463
   0.21007442  0.91947405  0.66280700
   0.25989105  0.66632834 -0.05828764
   0.00457724  0.67980401  0.93191512
   0.62274643  0.03532941  0.09921903
   0.85306390  0.19709873  0.25779574
   0.63280185  0.27851522  0.01202058
   0.88434688  0.44249686  0.39229541
   0.02262768  0.37928110  0.16653716
   0.77581136  0.41461698  0.15292326
   0.68049817  0.14680137  0.39028836
   0.44634393  0.15698038  0.45885307
   0.66617281  0.10065716  0.58800289
   0.85113165  0.21222904  0.81700746
   0.62750610  0.34303831  0.51314485
   0.85130068  0.46763677  0.87515303
   1.00354422  0.46013963  0.66867290
   0.76049988  0.39445175  0.69434870
   0.77413471  0.04309987  0.96068977
   0.49904144  0.09200942  0.93506815
   0.54721147  0.51633621  0.05939163
   0.86546435  0.68187094  0.28282044
   0.54839438  0.78282586  0.05281552
   0.83964448  0.95358049  0.32916615
   0.90424808  0.86906824  0.15343765
   0.65741821  0.83853336  0.22668258
   0.82141357  0.70032726  0.46112717
   0.58966590  0.58704742  0.39880135
   0.67173342  0.58643810  0.58387642
   0.81480775  0.72707865  0.81134283
   0.57291417  0.82921236  0.48972417
   0.94929046  0.95540230  0.84063918
   0.96959381  0.82189571  0.67985004
   0.71815762  0.94836894  0.74243885
   0.76054138  0.67068774  0.99226928
   0.50881281  0.65628440  0.89147095
   0.75127768  0.84983548  0.58296471
   0.48628405  0.82752671  0.53602355
   0.87485765  0.20080324  0.07644947
   0.92940998  0.36258891  0.38455250
   0.34394092  0.12342659  0.61712703
   0.23186951  0.82885943  0.74809032
   0.16603795  1.11501586  0.17770872
   0.27236731  1.10882249  0.02991747
   0.62448438  0.34847797  0.85536518
   0.90407259  0.44041512  0.68153517
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897931    0.116187   -0.056038
    -0.000000    9.757462    0.001466
    -0.000000    0.000000   13.936682
   Si   O    H 
    32    64    10
Direct configuration=  2666
   0.17293889  0.19863891 -0.02086898
   0.33726826  0.11700864  0.38027121
   0.14879987  0.43629536  0.11406009
   0.39137764  0.33447459  0.24697400
   0.06004432  0.12011288  0.49363095
   0.39544539  0.13280422  0.84414073
   0.11511964  0.36444944  0.61799931
   0.38954420  0.37311712  0.73801396
   0.12672604  0.69931625  0.00337287
   0.43115062  0.60255004  0.36693968
   0.06641565  0.91909325  0.15558099
   0.31896520  0.85208349  0.26650736
   0.18034100  0.60372704  0.48023205
   0.36412962  0.62195295  0.85429077
   0.08525395  0.85600206  0.60664423
   0.35497295  0.99463382  0.67423324
   0.63836902  0.10664923  0.99685447
   0.82971929  0.10856706  0.35855621
   0.62616188  0.38696284  0.10840789
   0.88473709  0.29200925  0.16485171
   0.60598135  0.18502273  0.49535304
   0.90067077  0.09564740  0.89735014
   0.63265033  0.44074313  0.61259793
   0.76434128  0.35790354  0.81208752
   0.59291132  0.64584023 -0.00054223
   0.91033322  0.60144540  0.38254497
   0.55912520  0.89723167  0.13945012
   0.81937529  0.83576362  0.25351663
   0.66792540  0.68741024  0.48514379
   0.85978325  0.63472624  0.90358735
   0.65607076  0.94667251  0.63198824
   0.86533008  0.86689119  0.76134223
   0.07259586  0.07925087  0.15731424
   0.35936350  0.18472973  0.27633265
   0.16703610  0.35520358  0.01939137
   0.39946377  0.44217313  0.33666122
   0.53537905  0.31179938  0.19428908
   0.28564829  0.40306419  0.17503455
   0.19164658  0.13088093  0.43175381
  -0.07306762  0.16874811  0.43407848
   0.03358471 -0.03302484  0.52853681
   0.46714918  0.23292079  0.77004814
   0.05855930  0.21150295  0.58860133
   0.36417568  0.45700674  0.84315755
   0.48021737  0.43156966  0.65862105
   0.24459518  0.33744373  0.68883593
   0.24088635  0.18174572 -0.12550437
   0.02425330  0.14109668  0.96370640
   0.14282318  0.59883282  0.09645138
   0.40088884  0.70945027  0.28465513
   0.12387703  0.84511190  0.05605957
   0.34565736  0.94717089  0.36355527
   0.40442870  0.92072871  0.17491198
   0.15237726  0.86263845  0.25092515
   0.33795529  0.63837050  0.45732894
   0.07484773  0.62686932  0.38801796
   0.17680245  0.44979789  0.52662597
   0.30157699  0.68020580  0.75354184
   0.12431796  0.71746623  0.55446408
   0.36744194  0.98661243  0.79028498
   0.49024359  0.90440950  0.63543126
   0.21038702  0.92011881  0.66294284
   0.25827326  0.66656009 -0.05893859
   0.00427184  0.68063901  0.93198066
   0.62245056  0.03678206  0.09854454
   0.85189760  0.19563514  0.25927852
   0.63350703  0.27891395  0.01180832
   0.88457528  0.44236217  0.39272173
   0.02234239  0.37991858  0.16677123
   0.77649022  0.41516300  0.15335672
   0.68133666  0.14675248  0.38985681
   0.44733532  0.15685800  0.45944557
   0.66560939  0.09799556  0.58809427
   0.85098420  0.21329021  0.81678223
   0.62804600  0.34454676  0.51367310
   0.84914323  0.46754637  0.87491499
   1.00430641  0.45917933  0.66980026
   0.75959224  0.39419349  0.69541660
   0.77676186  0.04086226  0.96136371
   0.49781578  0.09067431  0.93638269
   0.54619967  0.51678356  0.05958039
   0.86658858  0.68040646  0.28236159
   0.54756854  0.78295243  0.05268784
   0.83964490  0.95237238  0.32874014
   0.90480647  0.86926861  0.15364840
   0.65559619  0.83854862  0.22748186
   0.82029662  0.70015360  0.46122430
   0.59044966  0.58735469  0.39924615
   0.67191914  0.58735241  0.58351390
   0.81555345  0.72700383  0.81165592
   0.57204890  0.82525110  0.49062416
   0.94986812  0.95520117  0.84213309
   0.97030548  0.82313460  0.67984799
   0.72005386  0.94763899  0.74397912
   0.76143160  0.67164254  0.99125636
   0.51055746  0.65847924  0.89176666
   0.75521252  0.84740657  0.58876043
   0.49446541  0.82469542  0.53187491
   0.87695092  0.20085184  0.07836952
   0.94523514  0.36059739  0.38337574
   0.34221649  0.12437888  0.61953123
   0.23477109  0.82750669  0.74847151
   0.15354828  1.10791210  0.17060047
   0.27515575  1.11085477  0.03104450
   0.62843003  0.35023629  0.85123771
   0.90763882  0.43801167  0.67776214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899232    0.116104   -0.057796
    -0.000000    9.758381    0.005291
    -0.000000    0.000000   13.936100
   Si   O    H 
    32    64    10
Direct configuration=  2667
   0.17445419  0.19889655 -0.02051296
   0.33737204  0.11681953  0.38054838
   0.14888002  0.43645013  0.11396559
   0.38984147  0.33428893  0.24796307
   0.06051825  0.12167975  0.49323569
   0.39558625  0.13347668  0.84511468
   0.11529646  0.36637145  0.61757362
   0.38898748  0.37288729  0.73680802
   0.12745738  0.69881354  0.00352172
   0.43182194  0.60176499  0.36794255
   0.06660986  0.91799098  0.15605064
   0.31923621  0.85398293  0.26651239
   0.17935844  0.60466947  0.47881803
   0.36352199  0.62250154  0.85440579
   0.08337522  0.85605007  0.60532053
   0.35517637  0.99287097  0.67549551
   0.63957429  0.10619100  0.99678848
   0.82790450  0.11014645  0.35748911
   0.62709522  0.38684527  0.10865875
   0.88441471  0.29098676  0.16433687
   0.60544015  0.18475364  0.49455977
   0.90082984  0.09791225  0.89667842
   0.63392351  0.44040146  0.61215268
   0.76444297  0.35913238  0.81113755
   0.59190024  0.64604824 -0.00045429
   0.90964005  0.60132761  0.38247684
   0.55892826  0.89719609  0.13953720
   0.81919718  0.83503550  0.25366325
   0.66909896  0.68754357  0.48497000
   0.85952602  0.63558739  0.90313364
   0.65605929  0.94550975  0.63205547
   0.86496873  0.86689305  0.76104996
   0.07260642  0.08048501  0.15617341
   0.35972101  0.18575982  0.27664366
   0.16785706  0.35376633  0.01779187
   0.39985843  0.44307790  0.33658986
   0.53680071  0.31044567  0.19375467
   0.28802048  0.40072946  0.17465451
   0.19176723  0.13154138  0.42987265
  -0.07224081  0.16807532  0.43500030
   0.03350266 -0.03453020  0.52870514
   0.46696060  0.23229950  0.76999351
   0.05971919  0.21138760  0.58821367
   0.36376617  0.45667020  0.84226780
   0.48146364  0.43019000  0.65696061
   0.24556348  0.33717687  0.68886265
   0.24004424  0.18059236 -0.12450809
   0.02262034  0.14215275  0.96472518
   0.14468545  0.59781365  0.09698158
   0.39912754  0.71075690  0.28499142
   0.12487684  0.84574257  0.05680626
   0.34679486  0.94951257  0.36439441
   0.40448197  0.92138663  0.17480645
   0.15298109  0.86509084  0.25305816
   0.33678529  0.63769390  0.45825354
   0.07488989  0.62582275  0.38804479
   0.17656335  0.45022725  0.52532863
   0.29996492  0.67931915  0.75430603
   0.12382711  0.71712835  0.55322572
   0.36815721  0.98851046  0.78923347
   0.49355437  0.90571244  0.63469939
   0.21037236  0.91939506  0.66308728
   0.25768634  0.66649108 -0.05985258
   0.00386015  0.68112798  0.93181656
   0.62232944  0.03718407  0.09851088
   0.85103989  0.19460148  0.26014931
   0.63458611  0.27864336  0.01215241
   0.88449211  0.44211300  0.39338149
   0.02170766  0.37991356  0.16772738
   0.77686357  0.41582462  0.15332145
   0.68129107  0.14731756  0.39019127
   0.44899717  0.15666617  0.46011454
   0.66502854  0.09508538  0.58821412
   0.85102096  0.21432062  0.81593189
   0.62880334  0.34575242  0.51427681
   0.84746935  0.46872611  0.87506575
   1.00446266  0.45916336  0.67098807
   0.75860271  0.39398811  0.69600250
   0.77932918  0.03901236  0.96245044
   0.49712118  0.08934236  0.93684771
   0.54516999  0.51712989  0.05993982
   0.86811346  0.67959805  0.28250232
   0.54649540  0.78388740  0.05296482
   0.84015317  0.95067043  0.32856213
   0.90569740  0.86987984  0.15427707
   0.65448789  0.83956065  0.22769866
   0.81925815  0.70017084  0.46146343
   0.59179265  0.58896463  0.39997683
   0.67070342  0.58862484  0.58331862
   0.81626810  0.72638221  0.81133693
   0.57133900  0.82132151  0.49169614
   0.95041041  0.95534451  0.84277356
   0.97043659  0.82443041  0.67994925
   0.72199871  0.94706614  0.74462822
   0.76131444  0.67282626  0.99020041
   0.51304247  0.66121534  0.89223230
   0.76075413  0.84927691  0.59555913
   0.49576130  0.81638966  0.53004129
   0.87869375  0.20500562  0.08401938
   0.95660112  0.36699749  0.38152145
   0.33967586  0.12580788  0.62233194
   0.24368973  0.81496537  0.75090875
   0.17242716  1.11120551  0.16988999
   0.27743625  1.11365554  0.03428216
   0.63145084  0.35264576  0.84686490
   0.90870276  0.43456618  0.67234628
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900601    0.116570   -0.059788
    -0.000000    9.758980    0.008998
    -0.000000    0.000000   13.935345
   Si   O    H 
    32    64    10
Direct configuration=  2668
   0.17598779  0.19933033 -0.02040319
   0.33747375  0.11596499  0.38113603
   0.14940731  0.43650300  0.11431640
   0.38862893  0.33493744  0.24911788
   0.06104591  0.12284351  0.49315436
   0.39570215  0.13370023  0.84644308
   0.11615450  0.36820734  0.61708621
   0.38800749  0.37273041  0.73631218
   0.12847229  0.69831472  0.00392170
   0.43270285  0.60058902  0.36887270
   0.06673903  0.91709321  0.15599209
   0.31935736  0.85602079  0.26649035
   0.17878427  0.60600500  0.47794773
   0.36213956  0.62374739  0.85480241
   0.08190487  0.85519808  0.60357461
   0.35481438  0.99084186  0.67703876
   0.64061576  0.10589461  0.99646318
   0.82597925  0.11190459  0.35607235
   0.62771327  0.38630497  0.10894642
   0.88398034  0.29012604  0.16426765
   0.60500404  0.18393772  0.49374789
   0.90084758  0.09974425  0.89615893
   0.63498961  0.44007126  0.61242459
   0.76457419  0.36060860  0.81040411
   0.59166573  0.64629982 -0.00082442
   0.90856396  0.60144544  0.38271147
   0.55899515  0.89668256  0.13978071
   0.81968717  0.83423266  0.25369211
   0.67025489  0.68751552  0.48484320
   0.85858726  0.63622942  0.90257008
   0.65585275  0.94383593  0.63233353
   0.86464911  0.86657472  0.76118577
   0.07297145  0.08205825  0.15518256
   0.36039053  0.18634227  0.27702075
   0.16764224  0.35261710  0.01565671
   0.40053976  0.44391429  0.33665423
   0.53839175  0.30983326  0.19250889
   0.28887447  0.39904146  0.17318154
   0.19300217  0.13305562  0.42840549
  -0.07108098  0.16726159  0.43638735
   0.03333699 -0.03568411  0.52833215
   0.46730890  0.23196576  0.77002086
   0.06156530  0.21094844  0.58797833
   0.36370203  0.45619788  0.84053053
   0.48225826  0.42948088  0.65510349
   0.24553703  0.33699461  0.68883494
   0.24028635  0.17985139 -0.12323532
   0.02103769  0.14365398  0.96602387
   0.14713870  0.59730030  0.09775298
   0.39667637  0.71198977  0.28495656
   0.12539637  0.84694950  0.05748911
   0.34753478  0.95093609  0.36503834
   0.40467851  0.92178689  0.17512437
   0.15389396  0.86656002  0.25475708
   0.33571269  0.63709907  0.45883885
   0.07522345  0.62333500  0.38807610
   0.17693061  0.45022126  0.52443560
   0.29854166  0.67895779  0.75468808
   0.12325496  0.71573876  0.55208735
   0.36914414  0.98985671  0.78846768
   0.49583018  0.90676355  0.63382114
   0.21076134  0.91834290  0.66313077
   0.25787760  0.66643761 -0.06081363
   0.00402074  0.68067568  0.93145908
   0.62264015  0.03725390  0.09836821
   0.85060202  0.19396308  0.26077171
   0.63623565  0.27845771  0.01348568
   0.88389780  0.44184089  0.39394346
   0.02120462  0.37999995  0.16896255
   0.77690497  0.41749504  0.15352141
   0.68051124  0.14784140  0.39130498
   0.45039801  0.15613492  0.46123781
   0.66443359  0.09261709  0.58764841
   0.85127309  0.21510236  0.81562223
   0.62940855  0.34652867  0.51486140
   0.84624369  0.47061884  0.87581331
   1.00532088  0.45871549  0.67209758
   0.75725190  0.39356551  0.69602109
   0.78141634  0.03739618  0.96342586
   0.49762056  0.08815415  0.93676304
   0.54448034  0.51682300  0.06104672
   0.86839212  0.67936596  0.28252287
   0.54545510  0.78474406  0.05342470
   0.84144069  0.94920851  0.32899169
   0.90716415  0.87057479  0.15492473
   0.65381187  0.84121160  0.22814911
   0.81891036  0.70030004  0.46161766
   0.59316434  0.59113551  0.40097834
   0.66977729  0.59000364  0.58341016
   0.81696253  0.72547126  0.81089893
   0.57125233  0.81852516  0.49250358
   0.95081708  0.95512288  0.84349442
   0.97079813  0.82505586  0.67998089
   0.72402983  0.94706328  0.74541151
   0.76085936  0.67304959  0.98888806
   0.51577752  0.66338580  0.89311915
   0.76201127  0.85315626  0.60030456
   0.48279687  0.80276012  0.53284230
   0.87919502  0.20872454  0.08789220
   0.95892660  0.37938130  0.38356778
   0.33809965  0.12755625  0.62458400
   0.25341266  0.78858696  0.75141572
   0.17940015  1.11163817  0.16905093
   0.27440379  1.11857416  0.04043817
   0.63449461  0.35482881  0.84306759
   0.90783271  0.43168772  0.66627755
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902138    0.116667   -0.061719
    -0.000000    9.759619    0.012498
    -0.000000    0.000000   13.935054
   Si   O    H 
    32    64    10
Direct configuration=  2669
   0.17656111  0.19911244 -0.01993778
   0.33768192  0.11435666  0.38182810
   0.14995892  0.43634363  0.11445287
   0.38776820  0.33616575  0.25011403
   0.06147148  0.12392852  0.49327443
   0.39633468  0.13371273  0.84788647
   0.11705037  0.37011597  0.61679615
   0.38690587  0.37257353  0.73595987
   0.12972515  0.69827256  0.00468397
   0.43336193  0.59919654  0.36934726
   0.06625447  0.91571575  0.15601848
   0.31968234  0.85803717  0.26665894
   0.17824414  0.60652322  0.47756255
   0.36068268  0.62496920  0.85544122
   0.08046467  0.85457371  0.60209201
   0.35404576  0.98909753  0.67821722
   0.64123587  0.10605359  0.99644067
   0.82430831  0.11270508  0.35492520
   0.62801817  0.38546380  0.10888754
   0.88401015  0.28953331  0.16418643
   0.60418934  0.18336832  0.49269063
   0.90034786  0.10117720  0.89586481
   0.63602390  0.43948488  0.61279808
   0.76531957  0.36141163  0.80977181
   0.59184402  0.64652599 -0.00118230
   0.90800182  0.60232723  0.38267896
   0.55862712  0.89627853  0.13962811
   0.81985535  0.83325463  0.25390448
   0.67060261  0.68648887  0.48470489
   0.85817008  0.63725262  0.90177093
   0.65539297  0.94251449  0.63284838
   0.86463788  0.86647551  0.76175789
   0.07431039  0.08305641  0.15408085
   0.36074238  0.18609016  0.27803049
   0.16740543  0.35225568  0.01392416
   0.40036815  0.44526199  0.33669372
   0.54007184  0.30948820  0.19144599
   0.28900864  0.39802376  0.17208512
   0.19373475  0.13417131  0.42705811
  -0.07041490  0.16657237  0.43715221
   0.03344070 -0.03698199  0.52804331
   0.46728689  0.23141534  0.77005302
   0.06394944  0.21163650  0.58796160
   0.36269475  0.45561231  0.83862978
   0.48335093  0.42843925  0.65331900
   0.24476817  0.33628625  0.68878312
   0.24094446  0.18000770 -0.12214719
   0.02021646  0.14554319  0.96677945
   0.14931703  0.59753654  0.09841342
   0.39393515  0.71293794  0.28484334
   0.12560073  0.84712735  0.05762992
   0.34825047  0.95187391  0.36554981
   0.40482399  0.92201470  0.17580002
   0.15544596  0.86787790  0.25597284
   0.33432953  0.63668658  0.45947722
   0.07529939  0.62173823  0.38844448
   0.17759886  0.45035616  0.52377454
   0.29648827  0.67931286  0.75516453
   0.12259304  0.71492315  0.55103273
   0.37080422  0.99143300  0.78861227
   0.49768823  0.90721513  0.63267348
   0.21094087  0.91683193  0.66381195
   0.25818382  0.66523370 -0.06167619
   0.00430362  0.67997780  0.93103146
   0.62250563  0.03614977  0.09819090
   0.84985692  0.19377339  0.26098849
   0.63807076  0.27767392  0.01460622
   0.88348198  0.44137056  0.39482743
   0.02070853  0.37994134  0.17036855
   0.77607632  0.41840911  0.15345178
   0.67979554  0.14850755  0.39291285
   0.45157242  0.15527589  0.46228875
   0.66403414  0.09055538  0.58694211
   0.85133599  0.21574171  0.81549445
   0.63032717  0.34799522  0.51503084
   0.84511731  0.47261029  0.87697456
   1.00520586  0.45866524  0.67317898
   0.75484973  0.39425100  0.69570096
   0.78315514  0.03665095  0.96392175
   0.49772348  0.08698588  0.93633443
   0.54419814  0.51762308  0.06136967
   0.86792893  0.67881813  0.28274321
   0.54484587  0.78513535  0.05411270
   0.84304738  0.94823295  0.32966903
   0.90836483  0.87134106  0.15549650
   0.65330507  0.84255554  0.22843838
   0.81958445  0.70037683  0.46133979
   0.59312777  0.59415316  0.40210435
   0.66869723  0.59272966  0.58310177
   0.81800526  0.72392049  0.81015793
   0.57023877  0.81594498  0.49326484
   0.95192115  0.95459256  0.84436702
   0.97105116  0.82487372  0.68021755
   0.72576161  0.94626950  0.74595941
   0.75977315  0.67372685  0.98769639
   0.51868919  0.66578047  0.89368060
   0.76594967  0.85541425  0.60366929
   0.48069893  0.79197739  0.53163029
   0.87964970  0.20426675  0.08702784
   0.96149216  0.38695175  0.38446117
   0.34069195  0.12458963  0.62530171
   0.26746013  0.74985642  0.75108989
   0.17313177  1.10980355  0.16648045
   0.26863568  1.12349966  0.04753722
   0.63454182  0.35371398  0.84312805
   0.90889555  0.42962461  0.66199015
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903198    0.116555   -0.063117
    -0.000000    9.760594    0.016410
    -0.000000    0.000000   13.934563
   Si   O    H 
    32    64    10
Direct configuration=  2670
   0.17617879  0.19887416 -0.01941067
   0.33791265  0.11257478  0.38215044
   0.15035230  0.43529571  0.11470433
   0.38720772  0.33844983  0.25078682
   0.06203589  0.12556956  0.49333181
   0.39699878  0.13278440  0.84935677
   0.11835639  0.37162525  0.61667136
   0.38595212  0.37289080  0.73542577
   0.13096199  0.69839163  0.00567881
   0.43435481  0.59744979  0.36936273
   0.06603704  0.91471102  0.15565385
   0.32039835  0.86010579  0.26720385
   0.17734542  0.60638340  0.47717348
   0.35974398  0.62513592  0.85635696
   0.08017534  0.85439504  0.60088479
   0.35330200  0.98828577  0.67864742
   0.64106781  0.10585639  0.99661611
   0.82293295  0.11352629  0.35375436
   0.62838138  0.38512752  0.10852905
   0.88392843  0.28945885  0.16410969
   0.60356836  0.18248600  0.49145114
   0.90070729  0.10252661  0.89550290
   0.63739363  0.43841704  0.61327331
   0.76602301  0.36282706  0.80913919
   0.59174858  0.64679466 -0.00145725
   0.90692583  0.60303384  0.38293567
   0.55750144  0.89541295  0.13943718
   0.81959410  0.83207458  0.25374296
   0.67054979  0.68512000  0.48492192
   0.85832094  0.63824613  0.90058615
   0.65557853  0.94142716  0.63370782
   0.86516835  0.86678181  0.76210037
   0.07543649  0.08257756  0.15270712
   0.36059564  0.18499730  0.27964633
   0.16755230  0.35234269  0.01250146
   0.40072334  0.44622308  0.33649510
   0.54175657  0.31027734  0.19113644
   0.29011496  0.39780245  0.17158967
   0.19445325  0.13698228  0.42559248
  -0.07041847  0.16731210  0.43854667
   0.03381053 -0.03764595  0.52694921
   0.46738372  0.23091630  0.77057339
   0.06653864  0.21243311  0.58868402
   0.36160732  0.45546697  0.83736662
   0.48442651  0.42754471  0.65198020
   0.24368138  0.33601748  0.68894002
   0.24239098  0.17963844 -0.12175573
   0.01962724  0.14726908  0.96759825
   0.15043376  0.59782310  0.09895130
   0.39066403  0.71327764  0.28481334
   0.12584870  0.84737655  0.05754187
   0.34910869  0.95319152  0.36551727
   0.40365405  0.92277804  0.17651463
   0.15642349  0.86928231  0.25617688
   0.33381714  0.63640365  0.45955794
   0.07545466  0.62054563  0.38865402
   0.17881507  0.45086704  0.52310827
   0.29789057  0.67401276  0.75511836
   0.12185504  0.71347967  0.55070185
   0.37234325  0.99124531  0.78910212
   0.49868418  0.90757104  0.63246788
   0.21155917  0.91485879  0.66470005
   0.25807328  0.66371618 -0.06271306
   0.00465572  0.67949575  0.93143969
   0.62216192  0.03503951  0.09834934
   0.84942452  0.19374687  0.26037123
   0.63964469  0.27716553  0.01586076
   0.88259998  0.44075121  0.39609823
   0.02085162  0.37929375  0.17178124
   0.77560868  0.41951721  0.15361258
   0.67843390  0.14880002  0.39453038
   0.45176624  0.15368636  0.46344295
   0.66391116  0.08961558  0.58588551
   0.85192833  0.21598936  0.81537671
   0.63104075  0.34950324  0.51553813
   0.84446862  0.47473903  0.87769735
   1.00502649  0.45869079  0.67405664
   0.75261468  0.39534163  0.69505004
   0.78479411  0.03708740  0.96411052
   0.49788292  0.08563132  0.93610068
   0.54329211  0.51785943  0.06116060
   0.86694105  0.67777363  0.28324997
   0.54488281  0.78562251  0.05519937
   0.84465197  0.94787333  0.33089771
   0.90957413  0.87150385  0.15649478
   0.65314819  0.84319303  0.22862706
   0.82144254  0.69993691  0.46141736
   0.59292627  0.59690064  0.40290769
   0.66739266  0.59496651  0.58286409
   0.81909564  0.72219545  0.80908130
   0.56863712  0.81368783  0.49345673
   0.95235059  0.95362238  0.84489843
   0.97111869  0.82447893  0.68012600
   0.72648538  0.94547690  0.74658617
   0.75750212  0.67351757  0.98714044
   0.52090667  0.66783161  0.89420699
   0.76804315  0.85387151  0.60329552
   0.48780255  0.78617347  0.52503654
   0.87901146  0.19557634  0.08086696
   0.97219465  0.38856446  0.38345251
   0.34461289  0.11941269  0.62912141
   0.24251412  0.81456478  0.74469648
   0.16302191  1.10776970  0.16278144
   0.25827703  1.12686577  0.05075607
   0.63085845  0.35384719  0.84559835
   0.91196441  0.43265420  0.66052982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904304    0.115887   -0.064925
    -0.000000    9.761575    0.020402
    -0.000000    0.000000   13.934200
   Si   O    H 
    32    64    10
Direct configuration=  2671
   0.17523635  0.19860210 -0.01905955
   0.33895184  0.11036196  0.38203450
   0.15093899  0.43424022  0.11507349
   0.38710930  0.34064403  0.25117433
   0.06206317  0.12644949  0.49347916
   0.39736033  0.13205039  0.85064543
   0.11954989  0.37295618  0.61664661
   0.38448898  0.37284973  0.73519793
   0.13190958  0.69826737  0.00678536
   0.43534895  0.59645191  0.36885760
   0.06544544  0.91368465  0.15563012
   0.32131766  0.86209675  0.26797510
   0.17629911  0.60599085  0.47707081
   0.35901631  0.62536155  0.85712214
   0.07972436  0.85409777  0.60004915
   0.35313595  0.98707261  0.67837603
   0.64082081  0.10607244  0.99679821
   0.82156732  0.11352395  0.35275258
   0.62804092  0.38440372  0.10791845
   0.88313834  0.28929255  0.16381310
   0.60293365  0.18159024  0.49044532
   0.90062528  0.10326301  0.89519293
   0.63860114  0.43731105  0.61285207
   0.76695361  0.36374229  0.80808479
   0.59219119  0.64713929 -0.00198605
   0.90570918  0.60335806  0.38253984
   0.55668018  0.89471907  0.13966809
   0.81963784  0.83055993  0.25332041
   0.67016382  0.68377709  0.48532170
   0.85908987  0.63851641  0.89937598
   0.65661248  0.94070147  0.63469472
   0.86549953  0.86763280  0.76226527
   0.07571011  0.08119844  0.15172404
   0.35922343  0.18416954  0.28051769
   0.16782611  0.35241738  0.01117802
   0.40039181  0.44600681  0.33620847
   0.54267544  0.31189604  0.19131186
   0.29083382  0.39789267  0.17103354
   0.19428456  0.14033834  0.42389640
  -0.07081845  0.16786026  0.43921711
   0.03358118 -0.03691387  0.52534452
   0.46749073  0.23082001  0.77162030
   0.06964142  0.21396011  0.58936688
   0.36083509  0.45429803  0.83638793
   0.48571074  0.42677539  0.65035235
   0.24174231  0.33596145  0.68948891
   0.24383669  0.17918689 -0.12181052
   0.01876256  0.14872992  0.96780475
   0.15119670  0.59781042  0.09972368
   0.38721036  0.71264279  0.28443393
   0.12699238  0.84707413  0.05758340
   0.35029349  0.95430902  0.36488277
   0.40179358  0.92329005  0.17770602
   0.15731370  0.87003902  0.25630091
   0.33482028  0.63679293  0.46015357
   0.07431295  0.61917321  0.38908988
   0.17949947  0.45202910  0.52293482
   0.29790746  0.67006484  0.75438640
   0.12080290  0.71271596  0.55055158
   0.37404449  0.99060106  0.78984336
   0.49920093  0.90820451  0.63237407
   0.21099026  0.91309157  0.66517388
   0.25805197  0.66242788 -0.06362996
   0.00465835  0.68003288  0.93236720
   0.62250199  0.03447521  0.09927319
   0.84939456  0.19415446  0.25857033
   0.64211782  0.27731800  0.01744855
   0.88268710  0.43987742  0.39706544
   0.02119537  0.37845587  0.17289592
   0.77518320  0.42089217  0.15409177
   0.67784184  0.14815354  0.39571303
   0.45148419  0.15151627  0.46528508
   0.66241170  0.08941391  0.58451301
   0.85225085  0.21554665  0.81566741
   0.63103285  0.34971105  0.51615607
   0.84378425  0.47695156  0.87803716
   1.00544464  0.45827134  0.67469838
   0.75049329  0.39660862  0.69415391
   0.78565875  0.03701997  0.96459075
   0.49822568  0.08490366  0.93623641
   0.54221690  0.51858693  0.06085435
   0.86606633  0.67670031  0.28396084
   0.54501454  0.78530848  0.05592353
   0.84660752  0.94704738  0.33198149
   0.91021744  0.87064010  0.15761565
   0.65341939  0.84369510  0.22888120
   0.82442990  0.69935677  0.46109190
   0.59291671  0.60003076  0.40296518
   0.66680598  0.59715566  0.58275192
   0.81956096  0.72094846  0.80782792
   0.56815405  0.81247725  0.49391693
   0.95264704  0.95344454  0.84537800
   0.97111115  0.82418116  0.68033287
   0.72706892  0.94452933  0.74714494
   0.75547737  0.67277884  0.98705778
   0.52208371  0.66954097  0.89470897
   0.76767305  0.85018375  0.59995582
   0.49049735  0.78295525  0.51945789
   0.87754572  0.19118075  0.07942619
   0.97577209  0.39339955  0.38505308
   0.34869664  0.11385820  0.63124963
   0.22295614  0.86128944  0.73764596
   0.16837789  1.11237336  0.16155032
   0.24795552  1.12863863  0.05546789
   0.62892846  0.35629921  0.84976758
   0.90979827  0.43615395  0.65894399
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905848    0.115224   -0.066979
    -0.000000    9.762998    0.024240
    -0.000000    0.000000   13.933630
   Si   O    H 
    32    64    10
Direct configuration=  2672
   0.17392181  0.19819883 -0.01885239
   0.33996558  0.10846872  0.38206371
   0.15136703  0.43324781  0.11511465
   0.38750988  0.34243705  0.25100203
   0.06220855  0.12675726  0.49341635
   0.39791841  0.13187905  0.85174540
   0.12071219  0.37357930  0.61710845
   0.38312551  0.37332308  0.73513642
   0.13276057  0.69789829  0.00762869
   0.43622505  0.59566091  0.36839745
   0.06524130  0.91325542  0.15537012
   0.32216040  0.86419274  0.26898502
   0.17574226  0.60574623  0.47733008
   0.35833213  0.62531368  0.85771520
   0.07960309  0.85342562  0.59909618
   0.35398930  0.98582799  0.67799597
   0.64050159  0.10670681  0.99675115
   0.82057168  0.11353927  0.35193801
   0.62681519  0.38337638  0.10701853
   0.88247984  0.28943668  0.16376314
   0.60207037  0.18042937  0.49008100
   0.90066504  0.10412191  0.89471462
   0.63999057  0.43651042  0.61251195
   0.76791790  0.36471041  0.80697779
   0.59266618  0.64787936 -0.00252836
   0.90454682  0.60400431  0.38208805
   0.55587404  0.89401583  0.14021497
   0.81919867  0.82909597  0.25284824
   0.66991996  0.68214251  0.48542087
   0.86013007  0.63865161  0.89834531
   0.65742788  0.94049915  0.63585404
   0.86578083  0.86808445  0.76311367
   0.07597649  0.07976582  0.15048560
   0.35764593  0.18365186  0.28087775
   0.16781982  0.35272078  0.00993722
   0.40073168  0.44619861  0.33590012
   0.54199101  0.31374449  0.19176438
   0.29108493  0.39760699  0.17109767
   0.19316467  0.14329090  0.42236888
  -0.07132376  0.16855573  0.43960379
   0.03385949 -0.03607290  0.52306540
   0.46688783  0.23045482  0.77261048
   0.07238131  0.21519298  0.59026037
   0.36038553  0.45304761  0.83550038
   0.48676433  0.42688605  0.64949217
   0.23957402  0.33554468  0.69061244
   0.24521312  0.17803935 -0.12165861
   0.01802153  0.14992470  0.96847419
   0.15122603  0.59742565  0.10031125
   0.38403257  0.71117894  0.28445382
   0.12780510  0.84688774  0.05750717
   0.35167028  0.95453945  0.36369690
   0.39991949  0.92379026  0.17836903
   0.15812144  0.87048346  0.25657983
   0.33693370  0.63651238  0.46049830
   0.07248382  0.61728595  0.38881511
   0.17972715  0.45266919  0.52242132
   0.29842147  0.66710418  0.75310515
   0.11929921  0.71223914  0.55120122
   0.37525751  0.99011067  0.79042808
   0.49880388  0.90895857  0.63229012
   0.21020464  0.91085378  0.66582910
   0.25754761  0.66182952 -0.06380831
   0.00465924  0.68005738  0.93364980
   0.62248014  0.03344312  0.09979743
   0.84997627  0.19560592  0.25650510
   0.64393696  0.27787000  0.01926461
   0.88258910  0.43906625  0.39861327
   0.02139189  0.37758096  0.17440379
   0.77444194  0.42191090  0.15418936
   0.67773343  0.14822990  0.39628590
   0.45001553  0.15003857  0.46683073
   0.66140790  0.09045887  0.58365411
   0.85236662  0.21511224  0.81585790
   0.63195355  0.34903944  0.51664161
   0.84275634  0.47883563  0.87806656
   1.00511912  0.45761700  0.67502359
   0.74844206  0.39687637  0.69338363
   0.78534793  0.03759427  0.96434910
   0.49973619  0.08452299  0.93639229
   0.54114301  0.51894141  0.06019357
   0.86474539  0.67666341  0.28465326
   0.54575281  0.78513153  0.05701685
   0.84838190  0.94657400  0.33268447
   0.91155065  0.87045363  0.15877019
   0.65422871  0.84447347  0.22902882
   0.82683813  0.69939608  0.46058444
   0.59235939  0.60219595  0.40252584
   0.66595469  0.59954414  0.58299528
   0.81858945  0.72047839  0.80669350
   0.56888318  0.81209803  0.49393455
   0.95261479  0.95330537  0.84502403
   0.97095571  0.82489349  0.68077014
   0.72679897  0.94376985  0.74719423
   0.75251704  0.67180878  0.98696386
   0.52238967  0.67030351  0.89516312
   0.76321198  0.84690625  0.59615911
   0.47457504  0.77310333  0.51861389
   0.87330964  0.19532030  0.08203924
   0.96922767  0.40006439  0.38779059
   0.35203150  0.11172772  0.63173500
   0.19992454  0.89785535  0.72944413
   0.17122598  1.11552887  0.16192655
   0.24318597  1.12697495  0.06049714
   0.63106516  0.36151967  0.85303226
   0.90775351  0.43870672  0.65783075
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907855    0.114556   -0.069141
    -0.000000    9.764615    0.027577
    -0.000000    0.000000   13.933169
   Si   O    H 
    32    64    10
Direct configuration=  2673
   0.17276368  0.19785063 -0.01843914
   0.34124393  0.10719475  0.38223838
   0.15185181  0.43294468  0.11493968
   0.38814131  0.34338301  0.25024421
   0.06261330  0.12638779  0.49346245
   0.39886144  0.13150337  0.85277728
   0.12119497  0.37416673  0.61728563
   0.38205186  0.37372587  0.73540365
   0.13370647  0.69738253  0.00823434
   0.43670446  0.59572335  0.36825599
   0.06511411  0.91310907  0.15528646
   0.32255161  0.86583281  0.27046079
   0.17524710  0.60501413  0.47790557
   0.35743686  0.62543200  0.85788701
   0.07954889  0.85218219  0.59820195
   0.35613401  0.98464676  0.67724611
   0.64048930  0.10771559  0.99709689
   0.82065331  0.11437300  0.35164755
   0.62561133  0.38310802  0.10661532
   0.88173082  0.28961962  0.16329517
   0.60189567  0.17974105  0.49026406
   0.90133297  0.10453693  0.89416435
   0.64048295  0.43620398  0.61222050
   0.76924502  0.36576454  0.80661241
   0.59312156  0.64801304 -0.00299759
   0.90227749  0.60449514  0.38147346
   0.55536877  0.89364801  0.14074664
   0.81896213  0.82722703  0.25203394
   0.66999854  0.68017380  0.48551629
   0.86124838  0.63874178  0.89799037
   0.65773576  0.94044098  0.63706269
   0.86634038  0.86795506  0.76426965
   0.07637788  0.07888386  0.14910473
   0.35626466  0.18378930  0.28047103
   0.16809120  0.35286054  0.00867777
   0.40096418  0.44705524  0.33583475
   0.54102773  0.31632968  0.19302203
   0.29111482  0.39759658  0.17098768
   0.19209364  0.14638530  0.42150257
  -0.07203967  0.16974578  0.43931870
   0.03388386 -0.03502316  0.52081459
   0.46625887  0.23021434  0.77412096
   0.07518687  0.21725043  0.59070486
   0.36027065  0.45257567  0.83507323
   0.48732833  0.42683197  0.64904992
   0.23760787  0.33574748  0.69143524
   0.24659333  0.17711385 -0.12157053
   0.01710070  0.15031820  0.96904622
   0.15133654  0.59661103  0.10145568
   0.38195404  0.70956759  0.28452012
   0.12799425  0.84728449  0.05742133
   0.35206883  0.95374559  0.36273813
   0.39832251  0.92496838  0.17830058
   0.15923148  0.87146077  0.25601737
   0.33940444  0.63645902  0.46119084
   0.07082421  0.61484075  0.38890362
   0.17943445  0.45267503  0.52234017
   0.29950387  0.66537917  0.75167874
   0.11765205  0.71330489  0.55165365
   0.37627892  0.98971797  0.79106504
   0.49807361  0.91012387  0.63266290
   0.20966821  0.90871381  0.66560988
   0.25605195  0.66080693 -0.06290648
   0.00615526  0.68050109  0.93505262
   0.62325842  0.03186701  0.10062749
   0.85030790  0.19743355  0.25439465
   0.64561200  0.27836579  0.02060080
   0.88115767  0.43832500  0.39973636
   0.02196090  0.37713840  0.17634567
   0.77331951  0.42212630  0.15458217
   0.67775236  0.14775617  0.39658064
   0.44858226  0.14845660  0.46850272
   0.66078086  0.09126673  0.58274113
   0.85213988  0.21574338  0.81629294
   0.63283602  0.34798459  0.51683190
   0.84153276  0.47941752  0.87831751
   1.00468273  0.45654421  0.67537154
   0.74700601  0.39723368  0.69271505
   0.78524063  0.03892297  0.96395205
   0.50088149  0.08367085  0.93675467
   0.54065948  0.51921079  0.05962016
   0.86304448  0.67663092  0.28505557
   0.54616749  0.78522457  0.05742860
   0.84942397  0.94563547  0.33314343
   0.91223390  0.87060976  0.15981049
   0.65457644  0.84543910  0.22944586
   0.82905967  0.69919871  0.45968673
   0.59170847  0.60393865  0.40154000
   0.66471469  0.60115766  0.58358109
   0.81751053  0.72103815  0.80540772
   0.56867511  0.81235118  0.49337727
   0.95244567  0.95396820  0.84451631
   0.96987373  0.82466576  0.68048951
   0.72637927  0.94426800  0.74739849
   0.75017146  0.67023286  0.98663404
   0.52126022  0.67047345  0.89532737
   0.75685303  0.84517370  0.59267489
   0.47006464  0.76979286  0.51539939
   0.87040151  0.19986622  0.08528948
   0.97080203  0.40640893  0.38942951
   0.34927724  0.11684739  0.63255456
   0.17201582  0.92287441  0.73643313
   0.16728157  1.11569688  0.16206877
   0.24090038  1.12046789  0.06157076
   0.63360201  0.36582979  0.85436117
   0.90990075  0.44381288  0.65724203
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909756    0.112943   -0.071420
    -0.000000    9.767013    0.030534
    -0.000000    0.000000   13.932645
   Si   O    H 
    32    64    10
Direct configuration=  2674
   0.17125886  0.19688319 -0.01811975
   0.34233898  0.10682490  0.38221414
   0.15217256  0.43254471  0.11441858
   0.38954045  0.34400768  0.24892204
   0.06312356  0.12551162  0.49347080
   0.40019197  0.13138469  0.85360105
   0.12152917  0.37477771  0.61773388
   0.38058790  0.37371081  0.73556584
   0.13477681  0.69678843  0.00911688
   0.43771954  0.59602902  0.36848516
   0.06480602  0.91281464  0.15499229
   0.32274222  0.86746943  0.27178697
   0.17500813  0.60414848  0.47833196
   0.35691180  0.62557430  0.85781093
   0.07899443  0.85092753  0.59675187
   0.35856718  0.98354619  0.67658366
   0.64072520  0.10889397  0.99762278
   0.82091190  0.11499122  0.35113127
   0.62480795  0.38309000  0.10674476
   0.88128316  0.28975179  0.16303112
   0.60263349  0.17960010  0.49078612
   0.90216810  0.10507123  0.89334576
   0.64021592  0.43660480  0.61133543
   0.77038716  0.36668682  0.80683086
   0.59337150  0.64810260 -0.00257084
   0.90139039  0.60467690  0.38080650
   0.55500520  0.89360364  0.14120432
   0.81816163  0.82682354  0.25093645
   0.67019797  0.67864173  0.48574229
   0.86234064  0.63886281  0.89773492
   0.65758357  0.94081353  0.63804558
   0.86676017  0.86714973  0.76548483
   0.07613146  0.07847531  0.14813416
   0.35505470  0.18442936  0.27995743
   0.16731774  0.35322717  0.00755676
   0.40204645  0.44737330  0.33587287
   0.54025889  0.31917638  0.19463873
   0.29062271  0.39727690  0.17038956
   0.19128868  0.14999672  0.42073848
  -0.07417268  0.17020107  0.43894184
   0.03370826 -0.03372647  0.51874836
   0.46577635  0.23094793  0.77591017
   0.07791657  0.21802036  0.59043303
   0.36036821  0.45281501  0.83477220
   0.48847843  0.42741350  0.64898230
   0.23502838  0.33557310  0.69195005
   0.24806009  0.17627854 -0.12150977
   0.01538349  0.15020396  0.97009351
   0.15062750  0.59570929  0.10284315
   0.37970608  0.70788482  0.28543205
   0.12755710  0.84751854  0.05707918
   0.35278831  0.95190984  0.36186988
   0.39721774  0.92657682  0.17835560
   0.16059553  0.87228907  0.25519157
   0.34141040  0.63658319  0.46242078
   0.06922268  0.61279096  0.38897571
   0.17880408  0.45240509  0.52218258
   0.30046604  0.66341020  0.75071585
   0.11704165  0.71278526  0.55193076
   0.37700151  0.98976076  0.79168781
   0.49598729  0.91062021  0.63343571
   0.20827288  0.90689339  0.66557028
   0.25365620  0.66054262 -0.06168757
   0.00760539  0.68133671  0.93619114
   0.62374828  0.03081565  0.10158261
   0.85120715  0.19931971  0.25272670
   0.64781418  0.27769950  0.02159957
   0.87971987  0.43859341  0.40123649
   0.02267201  0.37600442  0.17818073
   0.77179538  0.42288599  0.15515395
   0.67827080  0.14701169  0.39601845
   0.44696853  0.14578310  0.46976118
   0.65978549  0.09206660  0.58139817
   0.85249270  0.21627451  0.81678923
   0.63319325  0.34615851  0.51654855
   0.84118193  0.47929927  0.87834700
   1.00412347  0.45604722  0.67622691
   0.74665152  0.39747534  0.69234838
   0.78473580  0.04035256  0.96387423
   0.50176991  0.08249864  0.93708783
   0.54040492  0.51889000  0.05962436
   0.86160555  0.67652025  0.28487448
   0.54578226  0.78538323  0.05769609
   0.85019033  0.94545090  0.33425071
   0.91285808  0.87080196  0.16068541
   0.65479917  0.84585988  0.22990653
   0.83018913  0.69882058  0.45846209
   0.59168281  0.60491582  0.40058412
   0.66416480  0.60223243  0.58432660
   0.81635112  0.72179218  0.80389545
   0.56767232  0.81234851  0.49254054
   0.95253735  0.95531029  0.84397581
   0.96836589  0.82405354  0.68021380
   0.72614583  0.94495926  0.74789847
   0.74920186  0.66922573  0.98592819
   0.51971540  0.67007332  0.89502695
   0.75281598  0.84486422  0.59040114
   0.47546681  0.76919440  0.50948566
   0.86887702  0.20319612  0.08627888
   0.97574070  0.40681412  0.39192145
   0.34503879  0.12025560  0.63309983
   0.15334593  0.94137253  0.73777254
   0.15881497  1.11624360  0.16234349
   0.24016800  1.11358927  0.05862118
   0.63950718  0.36736660  0.85554980
   0.91298922  0.44733127  0.65704409
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911510    0.111580   -0.073722
    -0.000000    9.769405    0.032882
    -0.000000    0.000000   13.932070
   Si   O    H 
    32    64    10
Direct configuration=  2675
   0.16985839  0.19579541 -0.01809336
   0.34326965  0.10690550  0.38243610
   0.15205549  0.43210677  0.11402657
   0.39120065  0.34484651  0.24754523
   0.06329989  0.12483970  0.49357052
   0.40171628  0.13067301  0.85450748
   0.12172266  0.37598128  0.61835726
   0.37943565  0.37391045  0.73570873
   0.13598471  0.69643343  0.01024032
   0.43764589  0.59705650  0.36888177
   0.06476591  0.91297610  0.15499510
   0.32222432  0.86881315  0.27241744
   0.17546455  0.60352578  0.47876862
   0.35707666  0.62554995  0.85771734
   0.07808376  0.85031542  0.59562870
   0.36085987  0.98202973  0.67589763
   0.64109313  0.11032927  0.99856282
   0.82130197  0.11622938  0.35083802
   0.62425383  0.38303595  0.10693838
   0.88062622  0.28987186  0.16280835
   0.60376442  0.17981563  0.49150732
   0.90274760  0.10425940  0.89259438
   0.63990455  0.43771803  0.61074572
   0.77148110  0.36745426  0.80746822
   0.59316601  0.64847990 -0.00200814
   0.90099301  0.60419740  0.38039011
   0.55553825  0.89360382  0.14194450
   0.81778753  0.82741293  0.24964581
   0.67025828  0.67759485  0.48584277
   0.86311484  0.63949702  0.89793724
   0.65781185  0.94134503  0.63915203
   0.86796529  0.86669037  0.76642508
   0.07509932  0.07743741  0.14708727
   0.35381707  0.18529891  0.27996354
   0.16640952  0.35412206  0.00742364
   0.40271558  0.44809462  0.33587951
   0.53948376  0.32203103  0.19619587
   0.29007974  0.39801770  0.16990112
   0.19077849  0.15203045  0.42021214
  -0.07598726  0.17055608  0.43832443
   0.03316408 -0.03356193  0.51666139
   0.46534147  0.23295963  0.77698093
   0.08064870  0.21818200  0.58990258
   0.36079034  0.45315259  0.83481230
   0.48769854  0.42791021  0.64923178
   0.23387315  0.33557787  0.69232530
   0.24938046  0.17483995 -0.12197481
   0.01396915  0.15030536  0.97074412
   0.14962991  0.59524027  0.10408359
   0.37757579  0.70566039  0.28599482
   0.12769004  0.84803186  0.05761247
   0.35377405  0.94995610  0.36132834
   0.39668205  0.92781560  0.17831058
   0.16195222  0.87297562  0.25452596
   0.34211200  0.63686654  0.46317303
   0.06865426  0.61053346  0.38838454
   0.17877493  0.45189472  0.52201933
   0.30105686  0.66227183  0.74972127
   0.11700675  0.71263387  0.55206687
   0.37734507  0.98935396  0.79276341
   0.49357877  0.91041943  0.63379554
   0.20627926  0.90598501  0.66559888
   0.25171663  0.66063035 -0.05987389
   0.00927471  0.68206267  0.93666503
   0.62400636  0.02956964  0.10210128
   0.85182355  0.20085924  0.25083311
   0.65014491  0.27631354  0.02237188
   0.87955178  0.43885555  0.40234646
   0.02440110  0.37471946  0.18012112
   0.76998783  0.42392450  0.15569257
   0.67739778  0.14656844  0.39478601
   0.44586496  0.14416618  0.47103717
   0.65786633  0.09334907  0.58081830
   0.85289943  0.21744325  0.81662296
   0.63336801  0.34390969  0.51603461
   0.84105890  0.47934456  0.87775160
   1.00388231  0.45605596  0.67677191
   0.74633814  0.39824620  0.69177388
   0.78409532  0.04264655  0.96398530
   0.50192770  0.08137232  0.93823605
   0.54118563  0.51731872  0.06024418
   0.85994361  0.67651727  0.28376747
   0.54509500  0.78574569  0.05768350
   0.84998075  0.94565713  0.33618504
   0.91229047  0.87064669  0.16174441
   0.65481813  0.84632655  0.22991342
   0.82993109  0.69876919  0.45714357
   0.59157610  0.60514080  0.39979580
   0.66366451  0.60304919  0.58526937
   0.81548447  0.72267605  0.80259609
   0.56570853  0.81163295  0.49135265
   0.95318362  0.95670894  0.84364869
   0.96679151  0.82430321  0.67974169
   0.72602081  0.94665315  0.74849594
   0.74943878  0.66805292  0.98466962
   0.51891187  0.66990562  0.89420490
   0.74957594  0.84356719  0.58894706
   0.48493169  0.77623078  0.50256568
   0.86857605  0.20287259  0.08394974
   0.97568352  0.40710114  0.39726289
   0.34589325  0.11901117  0.63339020
   0.14043614  0.95531419  0.73474238
   0.16077366  1.11868294  0.16586963
   0.23947501  1.10858534  0.05404451
   0.64123676  0.36935595  0.85670700
   0.91083707  0.45001405  0.65536274
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913019    0.110410   -0.076299
    -0.000000    9.771826    0.034815
    -0.000000    0.000000   13.931749
   Si   O    H 
    32    64    10
Direct configuration=  2676
   0.16839515  0.19317495 -0.01793099
   0.34373347  0.10737958  0.38272232
   0.15203639  0.43176187  0.11402027
   0.39259455  0.34515934  0.24653381
   0.06339700  0.12462340  0.49404053
   0.40252389  0.12933529  0.85503836
   0.12187849  0.37659355  0.61866733
   0.37862182  0.37358823  0.73562174
   0.13715644  0.69616889  0.01133942
   0.43707656  0.59835808  0.36879684
   0.06484015  0.91305293  0.15462119
   0.32191270  0.86976342  0.27220509
   0.17634998  0.60306413  0.47867652
   0.35779714  0.62474186  0.85730304
   0.07735735  0.85012591  0.59486088
   0.36271337  0.98100712  0.67532082
   0.64187978  0.11128936  0.99986775
   0.82221283  0.11637407  0.35060016
   0.62407663  0.38366241  0.10751445
   0.88005899  0.28984169  0.16243718
   0.60479360  0.17997323  0.49247289
   0.90340140  0.10362911  0.89183946
   0.63995496  0.43970264  0.61008205
   0.77170286  0.36806023  0.80802536
   0.59299637  0.64953120 -0.00128805
   0.90106242  0.60331868  0.37950398
   0.55546172  0.89376648  0.14288201
   0.81723248  0.82883461  0.24879553
   0.67050446  0.67684168  0.48616474
   0.86343126  0.63951512  0.89831756
   0.65804661  0.94162513  0.63939725
   0.86949662  0.86615057  0.76754959
   0.07456838  0.07680877  0.14603557
   0.35257944  0.18602645  0.27983983
   0.16537284  0.35523328  0.00784440
   0.40345199  0.44811656  0.33662336
   0.53845558  0.32405573  0.19723538
   0.28909682  0.39905025  0.16945500
   0.19110267  0.15362303  0.42001647
  -0.07696190  0.17094393  0.43802922
   0.03218560 -0.03371820  0.51497046
   0.46438168  0.23480984  0.77751773
   0.08278564  0.21826747  0.58850250
   0.36134110  0.45401535  0.83497960
   0.48615794  0.42766085  0.64950765
   0.23303415  0.33532112  0.69340184
   0.25095212  0.17357090 -0.12172107
   0.01280839  0.15006645  0.97220991
   0.14903997  0.59503331  0.10436322
   0.37581815  0.70349570  0.28656407
   0.12763997  0.84921309  0.05808736
   0.35522836  0.94861532  0.36122122
   0.39688081  0.92794905  0.17836017
   0.16259985  0.87381659  0.25367682
   0.34259863  0.63729161  0.46385389
   0.06877888  0.60871082  0.38766503
   0.17792153  0.45072748  0.52221545
   0.30140231  0.66115696  0.74932471
   0.11652428  0.71151639  0.55233754
   0.37859651  0.98838469  0.79389931
   0.49166574  0.91082572  0.63431265
   0.20431737  0.90518608  0.66564116
   0.25096560  0.66019245 -0.05832504
   0.01037566  0.68330710  0.93695174
   0.62449413  0.02934569  0.10217212
   0.85254211  0.20209736  0.24959005
   0.65199577  0.27409384  0.02303649
   0.88000714  0.44059045  0.40302250
   0.02668562  0.37374693  0.18192041
   0.76779805  0.42559761  0.15609349
   0.67666664  0.14662171  0.39429629
   0.44530262  0.14257607  0.47205824
   0.65542989  0.09441215  0.58073732
   0.85245528  0.21916621  0.81642898
   0.63333976  0.34148579  0.51546301
   0.84174561  0.47928356  0.87734802
   1.00355036  0.45617919  0.67718074
   0.74663330  0.39852808  0.69169755
   0.78286669  0.04489564  0.96396161
   0.50151511  0.08001060  0.93955131
   0.54264946  0.51599966  0.06072329
   0.85757690  0.67627908  0.28194295
   0.54486970  0.78655214  0.05717208
   0.84844498  0.94666001  0.33808356
   0.91176430  0.87087338  0.16227283
   0.65519963  0.84559913  0.22942725
   0.82935628  0.69977030  0.45590085
   0.59095544  0.60430250  0.39922944
   0.66280820  0.60290550  0.58682489
   0.81494557  0.72289409  0.80142469
   0.56519552  0.81054873  0.48981408
   0.95434549  0.95836017  0.84366131
   0.96494752  0.82400017  0.67930276
   0.72536850  0.94828170  0.74857367
   0.74959258  0.66651181  0.98330585
   0.51741217  0.66924202  0.89313555
   0.74437884  0.84045352  0.58604304
   0.47553464  0.77339599  0.49953064
   0.86607996  0.19818733  0.07907047
   0.97080259  0.40722475  0.40325010
   0.34698385  0.11384645  0.63418702
   0.13223305  0.95842236  0.72951583
   0.16003928  1.12127244  0.16973022
   0.23973685  1.10461991  0.04560870
   0.64160793  0.37155299  0.85382879
   0.90753001  0.45051399  0.65286345
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914559    0.109184   -0.079006
    -0.000000    9.774462    0.036147
    -0.000000    0.000000   13.931365
   Si   O    H 
    32    64    10
Direct configuration=  2677
   0.16684325  0.19072205 -0.01752212
   0.34412291  0.10763384  0.38290643
   0.15229052  0.43112547  0.11398549
   0.39392455  0.34533583  0.24575264
   0.06312243  0.12437840  0.49367289
   0.40359055  0.12810962  0.85542591
   0.12141649  0.37651304  0.61896928
   0.37773860  0.37371192  0.73547282
   0.13831237  0.69635169  0.01225813
   0.43582407  0.59875511  0.36892192
   0.06536240  0.91331004  0.15435887
   0.32257711  0.87031079  0.27155686
   0.17735486  0.60227982  0.47893491
   0.35801167  0.62344223  0.85673542
   0.07659842  0.85050801  0.59429569
   0.36467383  0.97992291  0.67482851
   0.64210760  0.11248296  1.00136753
   0.82336398  0.11650269  0.35068374
   0.62307432  0.38446282  0.10843237
   0.88015345  0.29049797  0.16203852
   0.60505090  0.18096514  0.49306981
   0.90383358  0.10307937  0.89147164
   0.63937543  0.44123939  0.61009692
   0.77145242  0.36834207  0.80852280
   0.59249125  0.65036786 -0.00066214
   0.90141994  0.60231553  0.37842972
   0.55506939  0.89383024  0.14366855
   0.81645519  0.83057590  0.24846590
   0.67057284  0.67695749  0.48645425
   0.86315683  0.63996570  0.89808784
   0.65788303  0.94179414  0.63942243
   0.87118220  0.86532692  0.76843587
   0.07458151  0.07690294  0.14588234
   0.35104976  0.18718692  0.27919017
   0.16392837  0.35567960  0.00832418
   0.40460934  0.44727907  0.33688425
   0.53707720  0.32649280  0.19761052
   0.28873859  0.39998782  0.16826905
   0.19193015  0.15605782  0.42076672
  -0.07797455  0.17103109  0.43774522
   0.03191830 -0.03421985  0.51379549
   0.46388869  0.23626559  0.77757385
   0.08426314  0.21676571  0.58682383
   0.36209254  0.45507713  0.83544273
   0.48417255  0.42695528  0.64973642
   0.23246062  0.33509539  0.69486493
   0.25205069  0.17399967 -0.12115994
   0.01177094  0.15032920  0.97312412
   0.14820264  0.59440797  0.10380782
   0.37469904  0.70184640  0.28692166
   0.12856940  0.84958687  0.05806516
   0.35709603  0.94786549  0.36213167
   0.39830832  0.92846216  0.17838996
   0.16245335  0.87451737  0.25254671
   0.34256109  0.63738123  0.46393666
   0.06938174  0.60739857  0.38721672
   0.17712988  0.44963344  0.52185083
   0.30279148  0.65984247  0.74955453
   0.11616312  0.70989357  0.55261196
   0.37963641  0.98804785  0.79475463
   0.48975238  0.91121634  0.63439926
   0.20274050  0.90492375  0.66606271
   0.25124461  0.65949410 -0.05694438
   0.01038988  0.68332281  0.93689111
   0.62478112  0.02880915  0.10198487
   0.85308968  0.20201234  0.24930547
   0.65325771  0.27227379  0.02376978
   0.88069900  0.44327530  0.40364561
   0.02858338  0.37298806  0.18302009
   0.76601071  0.42701800  0.15600575
   0.67681689  0.14672019  0.39406409
   0.44398539  0.14100092  0.47261661
   0.65306157  0.09456642  0.58152918
   0.85166065  0.22016529  0.81612272
   0.63335778  0.33949424  0.51462363
   0.84185565  0.48002735  0.87680759
   1.00359154  0.45570584  0.67757285
   0.74778949  0.39849555  0.69131096
   0.78145378  0.04643618  0.96373918
   0.50117907  0.07895056  0.94037926
   0.54378226  0.51453474  0.06069345
   0.85473773  0.67568032  0.28039614
   0.54425864  0.78761127  0.05670006
   0.84715128  0.94788578  0.33987326
   0.91143104  0.87104469  0.16179003
   0.65675474  0.84600057  0.22905770
   0.82831661  0.70054308  0.45492937
   0.59085442  0.60305333  0.39802575
   0.66159773  0.60177033  0.58808666
   0.81349139  0.72277135  0.80055598
   0.56491084  0.81017536  0.48817880
   0.95599826  0.96057770  0.84348868
   0.96342955  0.82426310  0.67929075
   0.72500747  0.95054087  0.74892822
   0.75009554  0.66445944  0.98217094
   0.51558084  0.66864977  0.89175263
   0.74027266  0.84316121  0.58434163
   0.46734083  0.77313091  0.49706365
   0.86287355  0.19637499  0.07725828
   0.97090700  0.40514655  0.41157250
   0.34745645  0.11252094  0.62933582
   0.13149942  0.95697547  0.72377932
   0.15740866  1.11917283  0.17060314
   0.24369819  1.09938655  0.03747608
   0.64366620  0.37361679  0.85022010
   0.90993403  0.45144212  0.65286561
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916009    0.108056   -0.081829
    -0.000000    9.777008    0.037760
    -0.000000    0.000000   13.930781
   Si   O    H 
    32    64    10
Direct configuration=  2678
   0.16544282  0.18818119 -0.01708091
   0.34457450  0.10839529  0.38265020
   0.15199465  0.42975341  0.11447056
   0.39467554  0.34543682  0.24499394
   0.06287098  0.12370525  0.49318191
   0.40449924  0.12710474  0.85590556
   0.12023632  0.37653326  0.61935241
   0.37705629  0.37391396  0.73487714
   0.13911203  0.69628413  0.01297601
   0.43473858  0.59911697  0.36917727
   0.06593847  0.91348276  0.15362145
   0.32314799  0.86992971  0.27054237
   0.17866030  0.60176189  0.47861820
   0.35897231  0.62245249  0.85627227
   0.07542114  0.85077696  0.59369721
   0.36628491  0.97890742  0.67437804
   0.64183606  0.11309812  1.00259128
   0.82438103  0.11659140  0.35045070
   0.62236423  0.38508724  0.10962952
   0.88034550  0.29121434  0.16120179
   0.60520078  0.18207625  0.49382910
   0.90341562  0.10229330  0.89169678
   0.63862095  0.44261458  0.61047621
   0.77148484  0.36949373  0.80877841
   0.59165711  0.65096531 -0.00012644
   0.90230745  0.60155071  0.37737810
   0.55525558  0.89324759  0.14456669
   0.81588842  0.83265672  0.24819617
   0.67025024  0.67722488  0.48685186
   0.86238901  0.64087335  0.89788216
   0.65762048  0.94203591  0.63917249
   0.87253169  0.86450579  0.76984960
   0.07444719  0.07786109  0.14631896
   0.34961747  0.18871771  0.27909600
   0.16181785  0.35523488  0.00888323
   0.40582364  0.44580794  0.33713644
   0.53599923  0.32899379  0.19779999
   0.28948921  0.40129983  0.16725569
   0.19289638  0.15751993  0.42197997
  -0.07887183  0.17068281  0.43731587
   0.03153967 -0.03466911  0.51250504
   0.46323820  0.23760915  0.77765978
   0.08579296  0.21589965  0.58522118
   0.36332121  0.45529508  0.83604040
   0.48267434  0.42635818  0.65055018
   0.23274987  0.33518884  0.69627505
   0.25229005  0.17442150 -0.12070395
   0.01109178  0.15021640  0.97371752
   0.14696576  0.59444398  0.10361329
   0.37424492  0.70065352  0.28730118
   0.12984038  0.84983665  0.05797047
   0.35954816  0.94759613  0.36326398
   0.39969644  0.92868109  0.17795982
   0.16210061  0.87523508  0.25154148
   0.34194634  0.63722860  0.46371720
   0.07062721  0.60583253  0.38747175
   0.17616035  0.44914655  0.52239856
   0.30358273  0.65896087  0.74869874
   0.11550236  0.70800107  0.55262700
   0.38016009  0.98714575  0.79536514
   0.48756764  0.91103566  0.63427844
   0.20045993  0.90544417  0.66644000
   0.25284189  0.65886758 -0.05600765
   0.00985160  0.68324202  0.93635079
   0.62536644  0.02777070  0.10192911
   0.85297771  0.20054087  0.25012963
   0.65452786  0.27134212  0.02441137
   0.87924514  0.44596466  0.40396062
   0.02985785  0.37284235  0.18353174
   0.76502566  0.42856629  0.15607445
   0.67712229  0.14666384  0.39364083
   0.44338807  0.14041371  0.47298440
   0.65177618  0.09428499  0.58263813
   0.85074171  0.22165739  0.81619493
   0.63320846  0.33872946  0.51387083
   0.84132207  0.48167579  0.87612016
   1.00350920  0.45574586  0.67773383
   0.74912168  0.39723944  0.69103850
   0.78059621  0.04820928  0.96376979
   0.50070226  0.07854725  0.94121898
   0.54417788  0.51417008  0.06054576
   0.85149579  0.67496523  0.27864981
   0.54310844  0.78839339  0.05630805
   0.84652189  0.94909802  0.34081505
   0.91127537  0.87118427  0.16106080
   0.65819302  0.84671213  0.22858342
   0.82719168  0.70142094  0.45439681
   0.59122403  0.60148606  0.39699033
   0.65986182  0.60131500  0.58994494
   0.81279098  0.72208150  0.80019283
   0.56387557  0.81008425  0.48658040
   0.95771583  0.96320472  0.84337695
   0.96195360  0.82499508  0.67880959
   0.72496747  0.95253755  0.74905453
   0.75115406  0.66223650  0.98204172
   0.51379580  0.66813998  0.89059857
   0.74108605  0.85054770  0.58381340
   0.47035160  0.77561615  0.49574468
   0.85988843  0.19847686  0.07600545
   0.97227860  0.40305209  0.41685717
   0.34692309  0.11055345  0.62302616
   0.13779938  0.95009323  0.71310051
   0.15378141  1.11570200  0.17031184
   0.25129406  1.09349098  0.03643182
   0.64278841  0.37157949  0.84753448
   0.91585026  0.45190628  0.65381123
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917389    0.106985   -0.084140
    -0.000000    9.779828    0.039991
    -0.000000    0.000000   13.929545
   Si   O    H 
    32    64    10
Direct configuration=  2679
   0.16337131  0.18612333 -0.01644921
   0.34557182  0.10942575  0.38262921
   0.15183083  0.42816373  0.11481258
   0.39503925  0.34564377  0.24456312
   0.06244110  0.12302448  0.49244321
   0.40564660  0.12578742  0.85602107
   0.11895076  0.37595263  0.61988398
   0.37628978  0.37368811  0.73421452
   0.13926490  0.69667911  0.01320450
   0.43428278  0.60023757  0.36909275
   0.06720428  0.91362410  0.15309387
   0.32410812  0.86916027  0.26935036
   0.18024674  0.60114744  0.47815365
   0.35943913  0.62194610  0.85557350
   0.07359496  0.85079154  0.59329823
   0.36765864  0.97852655  0.67453086
   0.64191257  0.11317146  1.00393142
   0.82510894  0.11673236  0.35042020
   0.62177548  0.38591732  0.11095439
   0.88100117  0.29216566  0.16032900
   0.60507020  0.18370837  0.49436413
   0.90294034  0.10129389  0.89225499
   0.63782068  0.44356554  0.61092736
   0.77158222  0.37043924  0.80946646
   0.59042385  0.65188145  0.00023948
   0.90397812  0.60089752  0.37626855
   0.55534664  0.89242356  0.14582210
   0.81576677  0.83472867  0.24833025
   0.66997031  0.67737238  0.48697810
   0.86170736  0.64200134  0.89773686
   0.65716600  0.94221291  0.63892704
   0.87330038  0.86464287  0.77106139
   0.07432557  0.07892558  0.14654909
   0.34853886  0.18994037  0.27920432
   0.15906129  0.35499444  0.00956701
   0.40712461  0.44480759  0.33695733
   0.53516375  0.33131506  0.19801582
   0.29092821  0.40204149  0.16628902
   0.19458781  0.15808679  0.42303854
  -0.07980728  0.16952115  0.43754666
   0.03109036 -0.03557286  0.51118181
   0.46285303  0.23928810  0.77805305
   0.08786314  0.21491802  0.58406449
   0.36424753  0.45507314  0.83766781
   0.48073025  0.42513288  0.65163393
   0.23260334  0.33502735  0.69800217
   0.25267076  0.17484089 -0.11987710
   0.01003791  0.15068031  0.97406487
   0.14436662  0.59516947  0.10340033
   0.37339522  0.69906757  0.28751064
   0.13155048  0.84987713  0.05814105
   0.36288195  0.94750823  0.36520365
   0.40172579  0.92850101  0.17762564
   0.16183862  0.87609021  0.24985800
   0.34087573  0.63736034  0.46372669
   0.07145862  0.60428175  0.38771551
   0.17506529  0.44833547  0.52291453
   0.30413415  0.65798767  0.74799175
   0.11438141  0.70635104  0.55310040
   0.38083365  0.98589430  0.79565031
   0.48744864  0.91032904  0.63439207
   0.19796744  0.90610514  0.66680414
   0.25526482  0.65908728 -0.05510541
   0.00910063  0.68294416  0.93571503
   0.62600977  0.02710124  0.10126152
   0.85321397  0.19887720  0.25109734
   0.65604133  0.27026706  0.02531133
   0.87755793  0.44771313  0.40424244
   0.03061675  0.37254998  0.18316513
   0.76440242  0.42888401  0.15605018
   0.67782571  0.14630564  0.39314145
   0.44313332  0.13940673  0.47262566
   0.65022819  0.09357197  0.58437101
   0.85032447  0.22345627  0.81637043
   0.63277375  0.33903983  0.51359422
   0.84073481  0.48369701  0.87544339
   1.00283209  0.45580691  0.67833249
   0.75084975  0.39573045  0.69100396
   0.78047006  0.05073840  0.96358976
   0.50046574  0.07814471  0.94243250
   0.54439442  0.51412572  0.06025593
   0.84887889  0.67437272  0.27692817
   0.54227140  0.78951180  0.05574604
   0.84564259  0.95003734  0.34121644
   0.91125148  0.87211881  0.16006515
   0.65928891  0.84822644  0.22870173
   0.82620738  0.70239157  0.45439077
   0.59119015  0.60032696  0.39542930
   0.65881703  0.60069254  0.59131171
   0.81227926  0.72174386  0.80021482
   0.56328157  0.81005346  0.48508362
   0.95913790  0.96488724  0.84304806
   0.96136976  0.82551400  0.67850003
   0.72491077  0.95471940  0.74877204
   0.75266524  0.66111848  0.98209237
   0.51295265  0.66851515  0.88931994
   0.74471617  0.85584545  0.58542893
   0.47494246  0.78155091  0.49415767
   0.85980794  0.20606833  0.07902418
   0.96518700  0.40566213  0.42040582
   0.34751459  0.10973657  0.61850183
   0.14856465  0.94309542  0.70730370
   0.16027251  1.11602802  0.17442718
   0.25751096  1.08932448  0.04014515
   0.63412636  0.36914081  0.84745573
   0.91160435  0.45106709  0.65326850
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919114    0.106366   -0.085878
    -0.000000    9.782283    0.041552
    -0.000000    0.000000   13.927718
   Si   O    H 
    32    64    10
Direct configuration=  2680
   0.16190362  0.18397759 -0.01606726
   0.34681472  0.11047351  0.38272476
   0.15191895  0.42738163  0.11506441
   0.39541819  0.34597515  0.24411271
   0.06194359  0.12212080  0.49180005
   0.40584383  0.12507865  0.85681115
   0.11832943  0.37565049  0.62050911
   0.37631081  0.37283267  0.73378881
   0.13954523  0.69642249  0.01344854
   0.43363261  0.60120455  0.36918910
   0.06810196  0.91406573  0.15227536
   0.32474935  0.86829807  0.26832916
   0.18138796  0.60060420  0.47805587
   0.35927744  0.62120946  0.85438572
   0.07213986  0.85082916  0.59304121
   0.36811032  0.97901398  0.67494516
   0.64165530  0.11294288  1.00533900
   0.82611811  0.11697942  0.35068700
   0.62186541  0.38690990  0.11178729
   0.88182398  0.29396156  0.15988010
   0.60473407  0.18478097  0.49497837
   0.90183734  0.10037764  0.89268449
   0.63729056  0.44331521  0.61094270
   0.77073597  0.37084510  0.81031095
   0.58844076  0.65337579  0.00019197
   0.90569711  0.60083940  0.37525377
   0.55584387  0.89179021  0.14663222
   0.81569185  0.83599176  0.24841227
   0.66973884  0.67780668  0.48692470
   0.86116628  0.64348742  0.89751901
   0.65627228  0.94260191  0.63874065
   0.87284880  0.86513453  0.77242479
   0.07420183  0.08062317  0.14704726
   0.34766131  0.19164652  0.27961596
   0.15627233  0.35528026  0.00992212
   0.40747381  0.44460797  0.33637088
   0.53517781  0.33260477  0.19815762
   0.29216055  0.40325201  0.16549916
   0.19585041  0.15855802  0.42364491
  -0.07953986  0.16862074  0.43770681
   0.03082730 -0.03694945  0.51042159
   0.46194432  0.23981069  0.77859023
   0.09016881  0.21398337  0.58297960
   0.36588206  0.45499364  0.83922924
   0.47921853  0.42355029  0.65176685
   0.23243704  0.33483160  0.69875141
   0.25231844  0.17522501 -0.11879509
   0.00923765  0.15074985  0.97414939
   0.14133971  0.59626760  0.10292747
   0.37214913  0.69802225  0.28771090
   0.13292959  0.84981911  0.05814594
   0.36613480  0.94704725  0.36684734
   0.40311102  0.92863275  0.17759069
   0.16129297  0.87701829  0.24788955
   0.34070353  0.63810820  0.46357043
   0.07208216  0.60341977  0.38798246
   0.17404051  0.44768788  0.52356493
   0.30482365  0.65713748  0.74658550
   0.11327348  0.70531267  0.55368121
   0.38225333  0.98504893  0.79540151
   0.48780983  0.90940306  0.63407686
   0.19706230  0.90556101  0.66545153
   0.25757368  0.65952938 -0.05475316
   0.00933556  0.68296676  0.93554269
   0.62615367  0.02736586  0.10115198
   0.85320077  0.19810161  0.25209787
   0.65705822  0.26981261  0.02622307
   0.87573644  0.44862217  0.40463761
   0.03124983  0.37203166  0.18279520
   0.76455787  0.42917240  0.15537294
   0.67811476  0.14567816  0.39250244
   0.44270180  0.13853899  0.47303912
   0.64901191  0.09181943  0.58607646
   0.85056008  0.22492742  0.81716862
   0.63315455  0.34075671  0.51391541
   0.84047651  0.48541012  0.87463090
   1.00309150  0.45616276  0.67863657
   0.75210856  0.39508648  0.69062048
   0.78022827  0.05339028  0.96267212
   0.50129577  0.07831471  0.94315891
   0.54409542  0.51416882  0.05982305
   0.84731516  0.67424416  0.27593500
   0.54086526  0.79078388  0.05511364
   0.84427097  0.95062405  0.34176891
   0.91181637  0.87217464  0.15964584
   0.66037338  0.85032685  0.22867780
   0.82426399  0.70302272  0.45461303
   0.59190481  0.59985354  0.39421538
   0.65832515  0.60034643  0.59254219
   0.81197356  0.72076395  0.80053825
   0.56409369  0.81079287  0.48409571
   0.96010606  0.96663909  0.84184377
   0.96038099  0.82660853  0.67807449
   0.72499328  0.95617841  0.74853828
   0.75353500  0.66093465  0.98249556
   0.51144056  0.66886997  0.88828414
   0.75109325  0.85636838  0.58508374
   0.46653865  0.77980043  0.49255374
   0.86004312  0.21150864  0.08111639
   0.96008485  0.40716417  0.42245903
   0.34830720  0.10617070  0.61646640
   0.13576624  0.95450301  0.72487112
   0.16339586  1.11201436  0.17589686
   0.26050845  1.08765782  0.04467835
   0.62490004  0.36617497  0.84618665
   0.90585923  0.45246174  0.65409586
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920844    0.105496   -0.087217
    -0.000000    9.783994    0.043447
    -0.000000    0.000000   13.925900
   Si   O    H 
    32    64    10
Direct configuration=  2681
   0.16185219  0.18183776 -0.01591225
   0.34699709  0.11168855  0.38336168
   0.15196235  0.42657468  0.11511877
   0.39579658  0.34607072  0.24413896
   0.06105936  0.12142491  0.49115822
   0.40637607  0.12469651  0.85738992
   0.11820577  0.37550585  0.62146729
   0.37688128  0.37193314  0.73418432
   0.13992347  0.69638881  0.01320443
   0.43320816  0.60273495  0.36913518
   0.06906474  0.91487761  0.15148349
   0.32517464  0.86757838  0.26742204
   0.18254944  0.59974076  0.47768314
   0.35966554  0.62047614  0.85330406
   0.07088511  0.85058427  0.59280976
   0.36787594  0.97931403  0.67555503
   0.64088158  0.11256371  1.00665988
   0.82766139  0.11641590  0.35110543
   0.62209090  0.38746575  0.11225360
   0.88275842  0.29595147  0.15994494
   0.60431232  0.18525719  0.49529196
   0.90103249  0.10028322  0.89265025
   0.63685432  0.44275042  0.61097450
   0.76992348  0.37140756  0.81112543
   0.58652265  0.65428845 -0.00012363
   0.90748526  0.60107854  0.37488394
   0.55629709  0.89110210  0.14719288
   0.81540063  0.83714152  0.24867401
   0.66970282  0.67861759  0.48712372
   0.86064621  0.64417609  0.89712921
   0.65552869  0.94279017  0.63807885
   0.87260276  0.86515334  0.77417262
   0.07414252  0.08282822  0.14821491
   0.34760727  0.19257915  0.27969901
   0.15356503  0.35552765  0.01008297
   0.40845334  0.44526285  0.33587132
   0.53575377  0.33360090  0.19883373
   0.29365229  0.40415028  0.16445820
   0.19661695  0.15912243  0.42474864
  -0.07917205  0.16810533  0.43787154
   0.03143938 -0.03829988  0.50988420
   0.46122791  0.23932905  0.77901371
   0.09141428  0.21341237  0.58250382
   0.36740443  0.45559550  0.84108527
   0.47828164  0.42227694  0.65205217
   0.23157347  0.33523838  0.69962672
   0.25176583  0.17554633 -0.11710472
   0.00822523  0.15082020  0.97334413
   0.13788285  0.59651863  0.10247754
   0.37087527  0.69805447  0.28724657
   0.13393005  0.84998125  0.05782124
   0.36974569  0.94750603  0.36777107
   0.40496498  0.92936453  0.17751558
   0.16069164  0.87745802  0.24645374
   0.34073253  0.63808451  0.46344932
   0.07431433  0.60293433  0.38769742
   0.17191814  0.44743115  0.52431958
   0.30562217  0.65624048  0.74539375
   0.11233845  0.70503224  0.55412068
   0.38362836  0.98462747  0.79520443
   0.48893683  0.90841213  0.63349373
   0.19642557  0.90585277  0.66492128
   0.25936310  0.66001132 -0.05460607
   0.00930638  0.68313500  0.93487704
   0.62680060  0.02772627  0.10085754
   0.85365592  0.19746001  0.25335718
   0.65765709  0.26991587  0.02734705
   0.87285580  0.44976476  0.40511693
   0.03119597  0.37157736  0.18242545
   0.76556886  0.42864550  0.15537520
   0.67821167  0.14505327  0.39273142
   0.44257402  0.13813815  0.47327311
   0.64738790  0.09023731  0.58742402
   0.85031123  0.22529173  0.81807491
   0.63300253  0.34313513  0.51387615
   0.84062743  0.48611768  0.87458705
   1.00280208  0.45563003  0.67823302
   0.75288676  0.39436040  0.69072897
   0.78022418  0.05563651  0.96177629
   0.50175803  0.07843351  0.94410559
   0.54369392  0.51497213  0.05975241
   0.84524759  0.67449981  0.27486289
   0.53972685  0.79284822  0.05456549
   0.84483320  0.95092833  0.34154533
   0.91268243  0.87221291  0.15884755
   0.66102441  0.85289327  0.22868135
   0.82195912  0.70455624  0.45501078
   0.59218047  0.59996181  0.39411547
   0.65772503  0.60046192  0.59311129
   0.81223533  0.71920904  0.80091192
   0.56467475  0.81163849  0.48332859
   0.96156256  0.96846940  0.84053980
   0.95964406  0.82883848  0.67741967
   0.72487802  0.95753410  0.74793467
   0.75392005  0.66122854  0.98339491
   0.51059760  0.66962350  0.88806913
   0.75475664  0.85498042  0.58467860
   0.46583349  0.78229349  0.49252746
   0.86276345  0.20952758  0.07878110
   0.95880815  0.40588464  0.42376769
   0.34624496  0.10323966  0.61533663
   0.13144397  0.95599641  0.73586386
   0.16150291  1.10640508  0.17827630
   0.25762209  1.09274090  0.04693377
   0.62054552  0.36175076  0.84277030
   0.90786973  0.45452059  0.65453083
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922522    0.104360   -0.088599
    -0.000000    9.785349    0.044634
    -0.000000    0.000000   13.924086
   Si   O    H 
    32    64    10
Direct configuration=  2682
   0.16208453  0.18026527 -0.01595657
   0.34681177  0.11240114  0.38390575
   0.15180046  0.42556161  0.11531591
   0.39584519  0.34551326  0.24447298
   0.06079159  0.12110890  0.49034879
   0.40701070  0.12476657  0.85764005
   0.11843694  0.37563724  0.62259111
   0.37780773  0.37178852  0.73499571
   0.13957445  0.69592004  0.01287614
   0.43252514  0.60408764  0.36898364
   0.06971283  0.91569481  0.15064793
   0.32489221  0.86633101  0.26643899
   0.18320615  0.59870340  0.47748454
   0.35949232  0.62051376  0.85170327
   0.06982381  0.85087961  0.59249180
   0.36715906  0.97969924  0.67628879
   0.63972159  0.11263878  1.00793607
   0.82836354  0.11572491  0.35096133
   0.62206996  0.38773336  0.11246599
   0.88406504  0.29778445  0.16045751
   0.60325386  0.18544797  0.49523723
   0.89955971  0.10074731  0.89257538
   0.63701125  0.44155262  0.61110416
   0.76833364  0.37199531  0.81216467
   0.58532372  0.65416821 -0.00030769
   0.90897917  0.60164431  0.37459380
   0.55674695  0.89027775  0.14716940
   0.81519396  0.83875391  0.24909828
   0.66961818  0.67968020  0.48638226
   0.86007988  0.64396102  0.89687498
   0.65417427  0.94264090  0.63729770
   0.87241720  0.86501651  0.77543932
   0.07431446  0.08466277  0.14890098
   0.34746732  0.19286732  0.27992359
   0.15209444  0.35551364  0.01030385
   0.40990196  0.44551063  0.33609754
   0.53734668  0.33377269  0.19925359
   0.29559319  0.40451694  0.16318649
   0.19733578  0.15963333  0.42553877
  -0.07928464  0.16733782  0.43840393
   0.03139455 -0.03963255  0.50928324
   0.46015226  0.23879791  0.77966899
   0.09177367  0.21263857  0.58250654
   0.36924702  0.45584532  0.84268902
   0.47770157  0.42182569  0.65284611
   0.23107434  0.33561331  0.69983275
   0.25115751  0.17559191 -0.11508936
   0.00760313  0.15044672  0.97237036
   0.13451077  0.59625852  0.10253398
   0.36962221  0.69917427  0.28633472
   0.13470280  0.85049199  0.05774633
   0.37292254  0.94821092  0.36849735
   0.40675299  0.93033156  0.17736744
   0.16013643  0.87760161  0.24539616
   0.34133418  0.63818300  0.46351558
   0.07618014  0.60197735  0.38672111
   0.17010281  0.44666219  0.52464377
   0.30577524  0.65573465  0.74431348
   0.11230353  0.70478201  0.55432657
   0.38544398  0.98423425  0.79505259
   0.49132822  0.90699372  0.63252690
   0.19650675  0.90658127  0.66487998
   0.26200858  0.66078612 -0.05446724
   0.00951190  0.68311706  0.93437480
   0.62772887  0.02744295  0.10048431
   0.85414982  0.19676995  0.25462362
   0.65795272  0.27005267  0.02862655
   0.87015891  0.45039990  0.40570183
   0.02959620  0.37143170  0.18187365
   0.76775139  0.42851465  0.15541900
   0.67807227  0.14518819  0.39302021
   0.44294771  0.13751775  0.47302733
   0.64612010  0.09001252  0.58857271
   0.85075387  0.22541527  0.81893406
   0.63430865  0.34546938  0.51432022
   0.84094025  0.48752083  0.87513840
   1.00242742  0.45502198  0.67787839
   0.75349687  0.39421191  0.69130509
   0.78050833  0.05790198  0.96108842
   0.50270357  0.07919539  0.94501142
   0.54314630  0.51596158  0.06033779
   0.84342484  0.67495624  0.27436129
   0.53838744  0.79445893  0.05479178
   0.84534391  0.95094882  0.34117378
   0.91287317  0.87221983  0.15840362
   0.66080406  0.85547631  0.22847791
   0.82021446  0.70537249  0.45545102
   0.59293844  0.60011868  0.39480395
   0.65852208  0.60031365  0.59356713
   0.81296040  0.71801174  0.80095956
   0.56588932  0.81138512  0.48226913
   0.96301311  0.97039719  0.83903158
   0.95839463  0.83120741  0.67631571
   0.72524331  0.95894396  0.74738465
   0.75288078  0.66109728  0.98364558
   0.50916437  0.67011076  0.88854766
   0.75327740  0.85328311  0.58625321
   0.47234052  0.78487822  0.49033705
   0.87017133  0.20941269  0.07637247
   0.95931138  0.40400234  0.42571825
   0.34320637  0.10036827  0.61767666
   0.13483692  0.95133589  0.74153281
   0.15922944  1.10409068  0.17981386
   0.24895154  1.09982684  0.04903229
   0.62280401  0.36347698  0.84052087
   0.91134836  0.45791415  0.65464220
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924151    0.103429   -0.090425
    -0.000000    9.786957    0.045120
    -0.000000    0.000000   13.922047
   Si   O    H 
    32    64    10
Direct configuration=  2683
   0.16269878  0.17945080 -0.01609556
   0.34650269  0.11325129  0.38419802
   0.15135017  0.42500387  0.11542722
   0.39598266  0.34507402  0.24446501
   0.06102127  0.12163786  0.48876360
   0.40707142  0.12492906  0.85750161
   0.11871588  0.37475412  0.62344101
   0.37872499  0.37195220  0.73645552
   0.13937713  0.69531743  0.01231559
   0.43169745  0.60524382  0.36853413
   0.06991093  0.91618346  0.15000467
   0.32495788  0.86534866  0.26571586
   0.18368440  0.59776021  0.47786461
   0.35884920  0.62109576  0.84991664
   0.06898183  0.85114475  0.59300219
   0.36700965  0.98055806  0.67725422
   0.63813830  0.11258609  1.00900466
   0.82883394  0.11558975  0.35117031
   0.62159225  0.38807456  0.11210985
   0.88481846  0.29956407  0.16079431
   0.60224194  0.18556729  0.49488810
   0.89869687  0.10129458  0.89245180
   0.63699188  0.43955058  0.61139177
   0.76698494  0.37249956  0.81284722
   0.58499655  0.65418021 -0.00107830
   0.91002895  0.60283902  0.37468741
   0.55733091  0.88997913  0.14693925
   0.81507367  0.84032459  0.24940725
   0.66945977  0.68033908  0.48545069
   0.85947418  0.64328739  0.89700578
   0.65325980  0.94232877  0.63703847
   0.87256772  0.86501939  0.77653174
   0.07499396  0.08575743  0.14936830
   0.34702971  0.19355996  0.28114211
   0.15174147  0.35490734  0.01012488
   0.41119528  0.44597348  0.33559572
   0.53869418  0.33412834  0.19986335
   0.29776916  0.40460091  0.16197655
   0.19802967  0.16032922  0.42638924
  -0.07912308  0.16768740  0.43912275
   0.03219765 -0.04063221  0.50870658
   0.45893157  0.23767445  0.78084444
   0.09112523  0.21144833  0.58238388
   0.37116970  0.45534006  0.84357311
   0.47802909  0.42173100  0.65365489
   0.23032825  0.33614666  0.70049773
   0.25086129  0.17393427 -0.11376086
   0.00686540  0.15021650  0.97115148
   0.13041809  0.59554626  0.10267911
   0.36852238  0.70126838  0.28575927
   0.13529046  0.85072332  0.05703842
   0.37466840  0.94891246  0.36878503
   0.40843653  0.93094983  0.17718912
   0.16039184  0.87707403  0.24470687
   0.34233330  0.63796183  0.46367972
   0.07804478  0.60191027  0.38550189
   0.16872736  0.44638115  0.52458192
   0.30572674  0.65507331  0.74378539
   0.11267558  0.70404359  0.55443394
   0.38704558  0.98268953  0.79419788
   0.49448968  0.90465050  0.63122521
   0.19655381  0.90767546  0.66458857
   0.26531912  0.66168281 -0.05464719
   0.01004386  0.68325033  0.93420951
   0.62826934  0.02680117  0.10085977
   0.85426112  0.19649454  0.25548707
   0.65773198  0.27115181  0.03069958
   0.86778178  0.45074904  0.40685624
   0.02751104  0.37106870  0.18169623
   0.76958852  0.42746301  0.15585862
   0.67774802  0.14605929  0.39392800
   0.44369549  0.13806051  0.47295318
   0.64441755  0.09021102  0.58965749
   0.85088192  0.22532596  0.82043163
   0.63549557  0.34742640  0.51468959
   0.84105362  0.48777356  0.87565293
   1.00315153  0.45477450  0.67778267
   0.75354308  0.39456625  0.69193180
   0.78010937  0.06053104  0.96029246
   0.50411396  0.08033721  0.94564256
   0.54248782  0.51707737  0.06076905
   0.84151004  0.67573808  0.27407283
   0.53805709  0.79559508  0.05544255
   0.84570700  0.95124165  0.34073979
   0.91244073  0.87243095  0.15824437
   0.66034426  0.85750961  0.22839098
   0.81870737  0.70554150  0.45565870
   0.59346684  0.60093265  0.39556633
   0.65887596  0.59986995  0.59361248
   0.81403770  0.71737481  0.80072240
   0.56706335  0.81152102  0.48180561
   0.96478333  0.97195493  0.83779080
   0.95770207  0.83388481  0.67519397
   0.72610595  0.95891404  0.74665400
   0.75078738  0.66132120  0.98389251
   0.50879888  0.67040730  0.88988150
   0.75039199  0.85777890  0.58832214
   0.47594727  0.78883157  0.48858865
   0.87767855  0.21088123  0.07611249
   0.95513894  0.40556643  0.42419084
   0.34007917  0.10071215  0.61919103
   0.14812743  0.93678554  0.73520565
   0.15855497  1.10502268  0.18331031
   0.24141188  1.10554945  0.05242852
   0.63042611  0.36876004  0.83757710
   0.90866525  0.45804279  0.65421166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.926210    0.102486   -0.092490
    -0.000000    9.788107    0.045516
    -0.000000    0.000000   13.920173
   Si   O    H 
    32    64    10
Direct configuration=  2684
   0.16341206  0.17932371 -0.01633096
   0.34639872  0.11348162  0.38496491
   0.15073754  0.42518674  0.11555501
   0.39585105  0.34491516  0.24457413
   0.06145612  0.12261488  0.48728896
   0.40691180  0.12481542  0.85736390
   0.11882946  0.37383413  0.62380150
   0.37983863  0.37262539  0.73760265
   0.13954112  0.69511047  0.01149325
   0.43136017  0.60639476  0.36806944
   0.07048682  0.91634492  0.14881653
   0.32474207  0.86393494  0.26525166
   0.18376560  0.59689052  0.47856564
   0.35803779  0.62141844  0.84805293
   0.06774405  0.85220845  0.59363473
   0.36644194  0.98164440  0.67817907
   0.63672147  0.11202039  1.00997478
   0.82943915  0.11558430  0.35143735
   0.62129505  0.38806901  0.11207291
   0.88585032  0.30126614  0.16095716
   0.60124954  0.18556289  0.49458484
   0.89806112  0.10226077  0.89198430
   0.63674487  0.43745369  0.61130887
   0.76622421  0.37266527  0.81311220
   0.58411375  0.65510081 -0.00149765
   0.91079948  0.60402263  0.37512775
   0.55774388  0.89018754  0.14626749
   0.81501023  0.84169589  0.24979525
   0.66934675  0.68096471  0.48460556
   0.85910938  0.64201677  0.89716147
   0.65217482  0.94167418  0.63714859
   0.87266382  0.86524569  0.77705449
   0.07568203  0.08690382  0.14987787
   0.34722846  0.19430569  0.28218901
   0.15160676  0.35430883  0.00984515
   0.41231817  0.44637899  0.33473879
   0.54022519  0.33407133  0.20024030
   0.29989589  0.40368919  0.16088841
   0.19853360  0.16075931  0.42708632
  -0.07817354  0.16826853  0.43927673
   0.03313393 -0.04129459  0.50789562
   0.45773398  0.23731985  0.78165386
   0.08959680  0.21052268  0.58220995
   0.37212987  0.45484517  0.84421305
   0.47850556  0.42196201  0.65420895
   0.22931869  0.33691845  0.70141687
   0.25069061  0.17317101 -0.11220959
   0.00627558  0.14976784  0.96905821
   0.12691419  0.59500534  0.10308261
   0.36741828  0.70321790  0.28433127
   0.13591985  0.85093608  0.05657308
   0.37648959  0.94900972  0.36888901
   0.40883587  0.93140490  0.17649567
   0.16154566  0.87567052  0.24411451
   0.34260608  0.63757871  0.46359911
   0.07995584  0.60251821  0.38417689
   0.16772254  0.44611613  0.52520416
   0.30531097  0.65479360  0.74359411
   0.11272825  0.70368426  0.55357261
   0.38853459  0.98080571  0.79399809
   0.49740677  0.90301030  0.62976230
   0.19637569  0.90850185  0.66430696
   0.26742222  0.66260883 -0.05520402
   0.01066871  0.68375624  0.93464187
   0.62788699  0.02580866  0.10134536
   0.85362388  0.19763244  0.25606274
   0.65741010  0.27279443  0.03236997
   0.86616373  0.45076112  0.40769506
   0.02595992  0.37105582  0.18156699
   0.77108205  0.42623848  0.15662074
   0.67703329  0.14730495  0.39467672
   0.44470577  0.13905478  0.47296893
   0.64278056  0.09098490  0.59096609
   0.85084480  0.22530411  0.82260348
   0.63588806  0.34934625  0.51479241
   0.84151903  0.48748215  0.87576299
   1.00434422  0.45461087  0.67778148
   0.75382709  0.39494434  0.69217248
   0.77937110  0.06256656  0.95988844
   0.50542409  0.08191064  0.94632800
   0.54156954  0.51719188  0.06147684
   0.84076144  0.67645518  0.27369321
   0.53758282  0.79608412  0.05579572
   0.84624750  0.95134850  0.33977120
   0.91197052  0.87253939  0.15817401
   0.65949751  0.85944289  0.22824691
   0.81836402  0.70515824  0.45632530
   0.59405448  0.60142069  0.39602021
   0.65983411  0.59987230  0.59368401
   0.81574259  0.71641528  0.80027258
   0.56880909  0.81124287  0.48131165
   0.96579079  0.97274731  0.83622040
   0.95755171  0.83655280  0.67461787
   0.72721612  0.95844696  0.74545595
   0.74778057  0.66110455  0.98426987
   0.50851497  0.67051050  0.89147629
   0.74762702  0.86209892  0.58790013
   0.47314729  0.78765688  0.48940171
   0.88509552  0.21339187  0.07653441
   0.95025551  0.40601322  0.42059375
   0.33798247  0.10370006  0.61992713
   0.16476035  0.91654196  0.72412911
   0.15598585  1.10820764  0.18570512
   0.23875012  1.11195042  0.05604203
   0.63405811  0.36959693  0.83701491
   0.90744583  0.45853749  0.65430399
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928355    0.101965   -0.094712
    -0.000000    9.789487    0.045841
    -0.000000    0.000000   13.918958
   Si   O    H 
    32    64    10
Direct configuration=  2685
   0.16433204  0.17921166 -0.01665144
   0.34602981  0.11343404  0.38570240
   0.14960129  0.42576159  0.11597489
   0.39585785  0.34561250  0.24517152
   0.06184890  0.12315397  0.48587365
   0.40681232  0.12450973  0.85735398
   0.11868254  0.37221844  0.62351395
   0.38053491  0.37383330  0.73905206
   0.13960898  0.69536589  0.01075115
   0.43070755  0.60762118  0.36743507
   0.07100081  0.91625671  0.14748121
   0.32448923  0.86329926  0.26483785
   0.18360107  0.59590706  0.47950229
   0.35713112  0.62175336  0.84657194
   0.06665074  0.85307255  0.59438453
   0.36599993  0.98257471  0.67842487
   0.63623351  0.11148019  1.01030197
   0.82929633  0.11592006  0.35208141
   0.62096047  0.38864006  0.11213708
   0.88662929  0.30227023  0.16130990
   0.60038465  0.18482566  0.49386563
   0.89760784  0.10248395  0.89141023
   0.63640681  0.43562793  0.61124055
   0.76558028  0.37227777  0.81323888
   0.58313748  0.65650466 -0.00216388
   0.91101548  0.60565083  0.37555035
   0.55837594  0.89057240  0.14547453
   0.81490960  0.84290475  0.25020418
   0.67001338  0.68147868  0.48380878
   0.85844868  0.64092335  0.89766752
   0.65171707  0.94076841  0.63735117
   0.87304960  0.86598730  0.77697730
   0.07575517  0.08746308  0.15041717
   0.34726229  0.19529583  0.28399149
   0.15158973  0.35375216  0.00961282
   0.41326641  0.44683340  0.33396756
   0.54127399  0.33380454  0.20071919
   0.30197417  0.40233302  0.15983009
   0.20013992  0.16021807  0.42789385
  -0.07810907  0.16869224  0.43948575
   0.03442929 -0.04209991  0.50696318
   0.45779906  0.23694203  0.78275067
   0.08799758  0.20993963  0.58202235
   0.37318430  0.45382664  0.84442831
   0.47995381  0.42114970  0.65396261
   0.22913277  0.33819535  0.70226524
   0.25130710  0.17179994 -0.11147957
   0.00570344  0.14995379  0.96713791
   0.12384292  0.59460139  0.10344208
   0.36621265  0.70545433  0.28249029
   0.13632457  0.85034919  0.05586335
   0.37806562  0.94893045  0.36875023
   0.40824430  0.93208423  0.17628814
   0.16298989  0.87439474  0.24317052
   0.34314003  0.63668959  0.46350911
   0.08130211  0.60286867  0.38339085
   0.16760307  0.44528740  0.52616365
   0.30512374  0.65527398  0.74305402
   0.11306234  0.70331171  0.55250974
   0.38948258  0.97853683  0.79366460
   0.49977018  0.90150371  0.62878761
   0.19712276  0.90960294  0.66287361
   0.26910226  0.66296274 -0.05569445
   0.01074698  0.68444668  0.93478728
   0.62759822  0.02440717  0.10195790
   0.85313819  0.19878563  0.25552861
   0.65663770  0.27424252  0.03315789
   0.86338141  0.45071810  0.40843562
   0.02520151  0.37203911  0.18194357
   0.77185501  0.42588146  0.15740183
   0.67587807  0.14855911  0.39528455
   0.44646029  0.14090551  0.47288951
   0.64140923  0.09182036  0.59166796
   0.85064891  0.22534332  0.82433437
   0.63562462  0.35064463  0.51485612
   0.84200037  0.48702205  0.87542017
   1.00475206  0.45447893  0.67779263
   0.75451007  0.39511435  0.69220190
   0.77753569  0.06364477  0.95989530
   0.50722259  0.08410384  0.94683583
   0.54126168  0.51723472  0.06235127
   0.84019041  0.67706353  0.27396242
   0.53773257  0.79612930  0.05616653
   0.84748524  0.95104647  0.33911732
   0.91174525  0.87266505  0.15787400
   0.65897530  0.86098043  0.22813881
   0.81902569  0.70411053  0.45698397
   0.59464016  0.60110871  0.39597685
   0.66128252  0.59962430  0.59403312
   0.81663870  0.71496094  0.80015096
   0.57056400  0.81113315  0.48018512
   0.96731253  0.97284557  0.83477715
   0.95631193  0.83868688  0.67438190
   0.72863995  0.95880356  0.74374043
   0.74508303  0.66187398  0.98465017
   0.50908089  0.67055419  0.89301356
   0.75076449  0.86120105  0.58503774
   0.47045482  0.78613035  0.49040524
   0.89231219  0.21683487  0.07857213
   0.94954834  0.40165379  0.41702969
   0.33532877  0.10467691  0.62097035
   0.17315880  0.89649797  0.72822386
   0.15907818  1.11084067  0.18807590
   0.23783616  1.11574029  0.06032030
   0.62893611  0.37041018  0.84069617
   0.91016976  0.45659019  0.65702067
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930599    0.101759   -0.096785
    -0.000000    9.790664    0.045784
    -0.000000    0.000000   13.917691
   Si   O    H 
    32    64    10
Direct configuration=  2686
   0.16511129  0.17919599 -0.01647599
   0.34564942  0.11328578  0.38642226
   0.14836881  0.42658218  0.11616867
   0.39602861  0.34682081  0.24596193
   0.06219724  0.12357816  0.48450619
   0.40648269  0.12393181  0.85761908
   0.11848564  0.36981357  0.62282077
   0.38095234  0.37458359  0.74043195
   0.13950222  0.69571793  0.01006127
   0.43029259  0.60919782  0.36738121
   0.07158623  0.91593770  0.14663684
   0.32429566  0.86269554  0.26462834
   0.18343490  0.59521395  0.48036691
   0.35663403  0.62207214  0.84537486
   0.06588754  0.85405295  0.59470256
   0.36600757  0.98315357  0.67845243
   0.63670646  0.11070820  1.01005451
   0.82841228  0.11574329  0.35238252
   0.62087020  0.38950972  0.11204284
   0.88645023  0.30256218  0.16215856
   0.59998782  0.18373660  0.49343621
   0.89705323  0.10312845  0.89091430
   0.63595725  0.43400412  0.61158230
   0.76514294  0.37143133  0.81340985
   0.58206394  0.65754164 -0.00315791
   0.91037036  0.60769955  0.37537078
   0.55852229  0.89044534  0.14466389
   0.81530507  0.84411954  0.25051642
   0.67056202  0.68179285  0.48335861
   0.85760574  0.63932394  0.89842517
   0.65187784  0.93992353  0.63768257
   0.87308339  0.86697782  0.77644786
   0.07640754  0.08764233  0.15187304
   0.34695422  0.19702072  0.28575945
   0.15172752  0.35317642  0.00989149
   0.41320227  0.44706221  0.33373563
   0.54199877  0.33303678  0.20181040
   0.30219206  0.40159785  0.15884368
   0.20047379  0.16010982  0.42876550
  -0.07763669  0.16977376  0.43951364
   0.03572984 -0.04293281  0.50595883
   0.45909606  0.23619749  0.78376512
   0.08646615  0.21049834  0.58211489
   0.37396575  0.45280777  0.84413774
   0.48118602  0.42023880  0.65359499
   0.22932531  0.33956597  0.70320255
   0.25194653  0.17046160 -0.11132820
   0.00555704  0.14981865  0.96523047
   0.12130539  0.59361874  0.10409490
   0.36469595  0.70773460  0.28084518
   0.13621210  0.84915592  0.05470396
   0.37894889  0.94877769  0.36831165
   0.40761249  0.93240964  0.17634286
   0.16395870  0.87292306  0.24179834
   0.34353744  0.63550743  0.46338300
   0.08277638  0.60374628  0.38242615
   0.16784968  0.44424072  0.52736038
   0.30547441  0.65623659  0.74262784
   0.11298042  0.70269668  0.55258083
   0.38985957  0.97659444  0.79373804
   0.50094071  0.90017781  0.62843475
   0.19839160  0.91069892  0.66188488
   0.27096437  0.66368545 -0.05615868
   0.01058658  0.68471246  0.93509174
   0.62775184  0.02357427  0.10308597
   0.85286322  0.19920819  0.25442835
   0.65524257  0.27610321  0.03379631
   0.86061570  0.45010495  0.40879115
   0.02521135  0.37358440  0.18269322
   0.77284424  0.42573221  0.15789160
   0.67567695  0.14887240  0.39584243
   0.44885827  0.14228306  0.47304674
   0.64119433  0.09283778  0.59209613
   0.85011049  0.22544860  0.82558114
   0.63506747  0.35111621  0.51503126
   0.84244605  0.48593219  0.87508980
   1.00393090  0.45495423  0.67776373
   0.75553384  0.39513999  0.69274501
   0.77573396  0.06517741  0.96007475
   0.50892094  0.08590173  0.94731666
   0.54123412  0.51737654  0.06292137
   0.83997771  0.67758496  0.27392771
   0.53771332  0.79558785  0.05663701
   0.84877988  0.95099722  0.33849717
   0.91220899  0.87314995  0.15724056
   0.65870276  0.86195790  0.22872796
   0.82123811  0.70194878  0.45735544
   0.59458462  0.60128320  0.39596034
   0.66326503  0.59959347  0.59408537
   0.81712111  0.71330310  0.79970582
   0.57137855  0.81044338  0.47922410
   0.96825033  0.97326303  0.83322539
   0.95492151  0.84016056  0.67466851
   0.73045054  0.95788016  0.74226826
   0.74295998  0.66250094  0.98524236
   0.50921175  0.67111939  0.89428778
   0.75655085  0.86288068  0.58064562
   0.47734908  0.78826904  0.49091570
   0.89724873  0.21799406  0.07992464
   0.94223517  0.39801620  0.41390506
   0.33096596  0.10803915  0.62392060
   0.17836166  0.87793426  0.73777573
   0.15788083  1.11414612  0.18880975
   0.24092227  1.11870376  0.06435234
   0.62191857  0.36968366  0.84618082
   0.91081245  0.45436620  0.66139085
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932844    0.101715   -0.098745
    -0.000000    9.791750    0.045569
    -0.000000    0.000000   13.916282
   Si   O    H 
    32    64    10
Direct configuration=  2687
   0.16537789  0.18024940 -0.01626081
   0.34604824  0.11300636  0.38739089
   0.14765510  0.42801785  0.11686899
   0.39668942  0.34755251  0.24663923
   0.06295805  0.12426668  0.48360247
   0.40592971  0.12300918  0.85783582
   0.11802038  0.36681650  0.62221430
   0.38148902  0.37518026  0.74187398
   0.13933556  0.69564239  0.00922889
   0.43052528  0.61078169  0.36748918
   0.07222900  0.91596891  0.14642845
   0.32447337  0.86243842  0.26488465
   0.18283805  0.59461054  0.48089279
   0.35583659  0.62287611  0.84472742
   0.06544475  0.85484367  0.59504774
   0.36615093  0.98360301  0.67889756
   0.63743033  0.11032320  1.00997547
   0.82745923  0.11514286  0.35243848
   0.62132027  0.39054054  0.11188071
   0.88622995  0.30322374  0.16350296
   0.60020590  0.18275152  0.49281860
   0.89661462  0.10290579  0.89057194
   0.63566384  0.43364373  0.61196887
   0.76521596  0.37061717  0.81361407
   0.58053770  0.65885023 -0.00364330
   0.90953935  0.60914983  0.37490845
   0.55863916  0.89018815  0.14416802
   0.81496954  0.84516542  0.25116697
   0.67089574  0.68171797  0.48291266
   0.85711950  0.63842498  0.89968070
   0.65259554  0.93902812  0.63836261
   0.87268431  0.86744084  0.77553440
   0.07693367  0.08641926  0.15351660
   0.34696286  0.19804949  0.28741744
   0.15226978  0.35198140  0.00996148
   0.41242165  0.44728995  0.33350219
   0.54217691  0.33276141  0.20272239
   0.30188153  0.40098286  0.15739651
   0.20045825  0.15982096  0.42980775
  -0.07719997  0.17055002  0.43917577
   0.03834637 -0.04298530  0.50481603
   0.45972060  0.23522148  0.78420337
   0.08497764  0.21132863  0.58187768
   0.37397301  0.45204157  0.84454740
   0.48214645  0.41982832  0.65402608
   0.22941297  0.34068220  0.70406207
   0.25301386  0.16920260 -0.11139804
   0.00602958  0.14918661  0.96333564
   0.11903333  0.59348870  0.10469467
   0.36403418  0.70904684  0.27975399
   0.13571810  0.84783440  0.05361959
   0.37911640  0.94826632  0.36739447
   0.40679050  0.93237234  0.17636402
   0.16467267  0.87073714  0.24091391
   0.34372469  0.63453849  0.46348452
   0.08343622  0.60458464  0.38110516
   0.16838364  0.44339420  0.52820774
   0.30590997  0.65774177  0.74173753
   0.11225848  0.70206535  0.55309471
   0.39033519  0.97548576  0.79440885
   0.50141039  0.89969317  0.62871327
   0.19957322  0.91146012  0.66168206
   0.27262248  0.66453681 -0.05667054
   0.01124265  0.68479797  0.93539492
   0.62771707  0.02338035  0.10343812
   0.85217491  0.19869502  0.25324260
   0.65355365  0.27743162  0.03368682
   0.85785496  0.44975295  0.40907487
   0.02577404  0.37550786  0.18360581
   0.77422916  0.42581186  0.15753945
   0.67679499  0.14842595  0.39635143
   0.45067010  0.14385495  0.47308086
   0.64084461  0.09442562  0.59224025
   0.84943215  0.22568954  0.82611610
   0.63557883  0.35114096  0.51531006
   0.84249714  0.48420450  0.87503100
   1.00384933  0.45500553  0.67683279
   0.75727967  0.39451987  0.69341389
   0.77304930  0.06654830  0.96043262
   0.51032526  0.08816464  0.94736875
   0.54078479  0.51807600  0.06303592
   0.84032443  0.67843131  0.27433190
   0.53754952  0.79405315  0.05681538
   0.85045700  0.95133025  0.33744697
   0.91301982  0.87338819  0.15711117
   0.65766012  0.86201734  0.22942900
   0.82366009  0.70052301  0.45763933
   0.59319481  0.60149616  0.39507941
   0.66585606  0.59948265  0.59366196
   0.81762827  0.71212535  0.79990750
   0.57202334  0.81062266  0.47894336
   0.96929512  0.97401845  0.83188283
   0.95397029  0.84172433  0.67489284
   0.73254835  0.95694973  0.74131340
   0.74203150  0.66340980  0.98552900
   0.50919723  0.67000211  0.89494390
   0.76225962  0.86357370  0.57682247
   0.48387035  0.79147545  0.49256838
   0.90183763  0.21557882  0.08084013
   0.93869285  0.39196054  0.41098375
   0.32518150  0.11163787  0.62673779
   0.18673202  0.86530535  0.74017443
   0.15615214  1.11787876  0.18903409
   0.24664996  1.12090510  0.06471019
   0.61924446  0.36772826  0.84972724
   0.90443233  0.45126256  0.66525941
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934994    0.101640   -0.100882
    -0.000000    9.792560    0.045631
    -0.000000    0.000000   13.914927
   Si   O    H 
    32    64    10
Direct configuration=  2688
   0.16533793  0.18241930 -0.01624759
   0.34597777  0.11300440  0.38842345
   0.14727498  0.42953957  0.11773443
   0.39723056  0.34806565  0.24680035
   0.06386083  0.12555550  0.48347807
   0.40536627  0.12227820  0.85792151
   0.11750395  0.36337582  0.62157059
   0.38179711  0.37558385  0.74286799
   0.13983804  0.69475599  0.00863194
   0.43148028  0.61164499  0.36760054
   0.07301772  0.91658441  0.14624524
   0.32420728  0.86247756  0.26506948
   0.18207447  0.59396144  0.48107689
   0.35548992  0.62318596  0.84421604
   0.06504076  0.85517971  0.59549382
   0.36628450  0.98401363  0.67950190
   0.63830997  0.11022342  1.01023334
   0.82674279  0.11465149  0.35207717
   0.62119538  0.39148230  0.11182634
   0.88612568  0.30435077  0.16495806
   0.60099994  0.18179153  0.49225318
   0.89619600  0.10225445  0.89042786
   0.63519570  0.43372411  0.61210542
   0.76447482  0.36994821  0.81329114
   0.57934611  0.66037666 -0.00380677
   0.90865345  0.60962552  0.37450827
   0.55855923  0.89038217  0.14330439
   0.81465434  0.84643634  0.25194820
   0.67105545  0.68148874  0.48282337
   0.85680450  0.63765953  0.90106062
   0.65427383  0.93915714  0.63900709
   0.87247454  0.86771213  0.77445084
   0.07761404  0.08507285  0.15455885
   0.34720385  0.19955726  0.28875191
   0.15293413  0.35083002  0.00995391
   0.41214589  0.44790798  0.33375933
   0.54272514  0.33221166  0.20365645
   0.30034899  0.40009891  0.15590141
   0.20050613  0.15908589  0.43104382
  -0.07666258  0.17147109  0.43906683
   0.04049800 -0.04226155  0.50401719
   0.46109747  0.23398918  0.78473798
   0.08390681  0.21233154  0.58199172
   0.37417074  0.45105424  0.84439401
   0.48313693  0.41944211  0.65459660
   0.22977389  0.34255078  0.70506574
   0.25488435  0.16810880 -0.11172511
   0.00767823  0.14864443  0.96169371
   0.11711425  0.59293349  0.10492239
   0.36365549  0.71032202  0.27845750
   0.13554904  0.84678394  0.05300426
   0.37842190  0.94835271  0.36603334
   0.40665270  0.93193559  0.17638708
   0.16528416  0.86865405  0.24008976
   0.34322704  0.63414830  0.46384026
   0.08362507  0.60466629  0.37997439
   0.16822438  0.44318189  0.52792245
   0.30580438  0.65903324  0.74051985
   0.11112027  0.70248929  0.55392817
   0.38974363  0.97528469  0.79493085
   0.49955897  0.89963248  0.62913118
   0.20103812  0.91231644  0.66197409
   0.27446094  0.66503465 -0.05731109
   0.01075082  0.68553262  0.93550749
   0.62764623  0.02352155  0.10406920
   0.85142154  0.19829310  0.25173537
   0.65159036  0.27851004  0.03301631
   0.85531080  0.44930761  0.40899510
   0.02680506  0.37753352  0.18490595
   0.77524803  0.42632954  0.15748939
   0.67862004  0.14689773  0.39628280
   0.45146532  0.14544243  0.47269502
   0.64047433  0.09622152  0.59180107
   0.84901664  0.22642820  0.82620665
   0.63703951  0.35125446  0.51511376
   0.84251590  0.48141853  0.87495658
   1.00289586  0.45503630  0.67621919
   0.75960899  0.39388124  0.69400222
   0.77065937  0.06741583  0.96056222
   0.51139449  0.09103262  0.94723780
   0.53952915  0.51934239  0.06350089
   0.84045844  0.67945969  0.27477241
   0.53696374  0.79260398  0.05642205
   0.85126875  0.95087583  0.33635297
   0.91358791  0.87401818  0.15721697
   0.65671813  0.86077084  0.23032397
   0.82635126  0.69913155  0.45715580
   0.59257848  0.60236226  0.39410330
   0.66738905  0.59968044  0.59292596
   0.81864539  0.71146769  0.79999825
   0.57334713  0.81165317  0.47902226
   0.96968658  0.97418509  0.83064761
   0.95225614  0.84314625  0.67532055
   0.73445738  0.95541967  0.74095345
   0.74222152  0.66451902  0.98543682
   0.50934440  0.66940759  0.89535438
   0.76063820  0.86844380  0.57531000
   0.47842760  0.79423560  0.49628653
   0.90102417  0.21501528  0.08030235
   0.93325925  0.38343862  0.40708438
   0.32134461  0.10907174  0.63174371
   0.19281338  0.85541259  0.73521627
   0.15292179  1.12049155  0.19016546
   0.25334389  1.12395296  0.06121919
   0.62109839  0.36665006  0.85220237
   0.90058568  0.45013551  0.66947987
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936827    0.101772   -0.102766
    -0.000000    9.793222    0.045711
    -0.000000    0.000000   13.913449
   Si   O    H 
    32    64    10
Direct configuration=  2689
   0.16492701  0.18422768 -0.01625472
   0.34625583  0.11337625  0.38957013
   0.14774597  0.43045709  0.11826160
   0.39756721  0.34880855  0.24686899
   0.06515510  0.12713613  0.48358642
   0.40437009  0.12177223  0.85792517
   0.11685930  0.36060847  0.62079882
   0.38160733  0.37579449  0.74393277
   0.14072242  0.69415397  0.00757819
   0.43264890  0.61263318  0.36764049
   0.07378204  0.91726280  0.14600910
   0.32431971  0.86335302  0.26555938
   0.18118351  0.59322131  0.48137952
   0.35532480  0.62353640  0.84393537
   0.06453944  0.85520740  0.59561120
   0.36645571  0.98476864  0.68002212
   0.63877526  0.11083023  1.01036468
   0.82627004  0.11457078  0.35211263
   0.62148348  0.39218700  0.11154350
   0.88653880  0.30535814  0.16586951
   0.60236979  0.18126613  0.49205036
   0.89601093  0.10118444  0.88998242
   0.63468841  0.43386950  0.61244951
   0.76368995  0.36907253  0.81303329
   0.57850756  0.66160701 -0.00348055
   0.90753484  0.61002234  0.37456847
   0.55828125  0.89046625  0.14207512
   0.81472666  0.84770417  0.25271797
   0.67094976  0.68088812  0.48234787
   0.85605227  0.63691937  0.90213729
   0.65620295  0.93940289  0.63930669
   0.87210730  0.86756044  0.77323122
   0.07911322  0.08425809  0.15509097
   0.34764905  0.20084592  0.29004809
   0.15298646  0.34966789  0.01030267
   0.41194000  0.44791897  0.33383470
   0.54331028  0.33159041  0.20459424
   0.29925727  0.39917561  0.15440825
   0.20010387  0.15744831  0.43206976
  -0.07600565  0.17276237  0.43906158
   0.04227519 -0.04147940  0.50293384
   0.46206779  0.23336700  0.78457234
   0.08277938  0.21265177  0.58165385
   0.37404214  0.45088613  0.84420180
   0.48447339  0.41992385  0.65580230
   0.23110323  0.34475403  0.70579507
   0.25667595  0.16687126 -0.11231286
   0.00921743  0.14858471  0.96067492
   0.11543908  0.59252719  0.10460457
   0.36365447  0.71024167  0.27793480
   0.13564912  0.84618976  0.05276427
   0.37753148  0.94807232  0.36371175
   0.40655975  0.93193244  0.17652974
   0.16569454  0.86732516  0.23972675
   0.34246327  0.63430970  0.46378544
   0.08291682  0.60483054  0.37904282
   0.16892721  0.44251200  0.52703272
   0.30579212  0.66036236  0.73922738
   0.11001629  0.70352212  0.55455534
   0.38942504  0.97520159  0.79614386
   0.49776119  0.89985838  0.62999208
   0.20279884  0.91260232  0.66306012
   0.27565678  0.66537092 -0.05762375
   0.00965105  0.68588085  0.93565693
   0.62791682  0.02373173  0.10470445
   0.85100117  0.19804902  0.25044751
   0.65046391  0.27889172  0.03198447
   0.85333486  0.44922922  0.40850579
   0.02820352  0.37898325  0.18624563
   0.77589594  0.42630302  0.15704392
   0.68038642  0.14543166  0.39606256
   0.45224629  0.14710630  0.47254528
   0.64035482  0.09769375  0.59131799
   0.84859759  0.22658569  0.82668670
   0.63790974  0.35020898  0.51499186
   0.84327850  0.47862143  0.87514005
   1.00240512  0.45480762  0.67563998
   0.76159957  0.39339483  0.69497926
   0.76756102  0.06721634  0.96046981
   0.51235666  0.09381913  0.94664870
   0.53886657  0.52182042  0.06449188
   0.84043102  0.68061426  0.27555444
   0.53668035  0.79063394  0.05634704
   0.85137289  0.95072842  0.33547986
   0.91381848  0.87455489  0.15688587
   0.65607017  0.85982524  0.23160525
   0.82926554  0.69811674  0.45722996
   0.59174964  0.60297781  0.39329206
   0.66808171  0.59976127  0.59186733
   0.81985407  0.71152440  0.80034947
   0.57400766  0.81363489  0.47916050
   0.96928302  0.97469877  0.82995491
   0.95165498  0.84519791  0.67606824
   0.73711107  0.95350776  0.74051693
   0.74304105  0.66489543  0.98494749
   0.50944174  0.66886158  0.89603990
   0.75507011  0.87211631  0.57246929
   0.47407808  0.79729953  0.50024753
   0.89852012  0.21852842  0.08057745
   0.92327827  0.37664706  0.40417728
   0.32185249  0.10579652  0.63650159
   0.19834420  0.85263791  0.72265001
   0.15480850  1.12345024  0.19407912
   0.26065200  1.12362414  0.05670527
   0.62695176  0.37073330  0.85022527
   0.90399382  0.44675316  0.67288040
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938628    0.102554   -0.105220
    -0.000000    9.793827    0.045844
    -0.000000    0.000000   13.911749
   Si   O    H 
    32    64    10
Direct configuration=  2690
   0.16424966  0.18639977 -0.01604250
   0.34622589  0.11269810  0.39028392
   0.14823999  0.43133389  0.11858077
   0.39747590  0.34979857  0.24698377
   0.06606881  0.12877775  0.48432350
   0.40389335  0.12149499  0.85772515
   0.11664430  0.35832085  0.62020728
   0.38117382  0.37553865  0.74525006
   0.14134929  0.69282663  0.00692380
   0.43420119  0.61314502  0.36790087
   0.07448588  0.91745503  0.14626462
   0.32401380  0.86465369  0.26611293
   0.18056890  0.59313683  0.48177947
   0.35514462  0.62366908  0.84395632
   0.06380597  0.85477830  0.59593398
   0.36668410  0.98544057  0.68047558
   0.63857765  0.11194199  1.01040245
   0.82665954  0.11457246  0.35200044
   0.62178279  0.39255626  0.11100366
   0.88671109  0.30572846  0.16624726
   0.60444467  0.18165363  0.49246695
   0.89551006  0.10031617  0.88970963
   0.63425285  0.43421349  0.61283538
   0.76295491  0.36851772  0.81280720
   0.57841933  0.66194965 -0.00366338
   0.90643505  0.60996458  0.37456005
   0.55782821  0.89067640  0.14135101
   0.81529554  0.84848087  0.25283636
   0.67083579  0.67956457  0.48176403
   0.85578726  0.63603625  0.90312297
   0.65775380  0.93976371  0.63953222
   0.87168005  0.86648352  0.77179109
   0.08073859  0.08431221  0.15596350
   0.34840171  0.20170145  0.29101121
   0.15370615  0.34886593  0.01096047
   0.41151053  0.44821856  0.33447264
   0.54403985  0.33144581  0.20529487
   0.29905409  0.39808003  0.15327785
   0.20005459  0.15644979  0.43265987
  -0.07603836  0.17437640  0.43863103
   0.04329585 -0.03982098  0.50256389
   0.46324039  0.23347770  0.78467180
   0.08215689  0.21237828  0.58213789
   0.37502888  0.45130769  0.84418046
   0.48618800  0.42107979  0.65663714
   0.23204610  0.34657445  0.70698374
   0.25897629  0.16559171 -0.11301126
   0.01170258  0.14734082  0.95956671
   0.11394949  0.59248496  0.10442009
   0.36463268  0.70955135  0.27751477
   0.13648689  0.84589329  0.05265359
   0.37639336  0.94806676  0.36145710
   0.40771186  0.93264411  0.17697016
   0.16680419  0.86622016  0.23906705
   0.34203372  0.63409207  0.46372385
   0.08125926  0.60554950  0.37870054
   0.16937829  0.44121753  0.52586449
   0.30550063  0.66148653  0.73782215
   0.10950821  0.70420610  0.55468299
   0.38979131  0.97534623  0.79741191
   0.49569529  0.90069206  0.63058903
   0.20441760  0.91211118  0.66376537
   0.27638563  0.66601844 -0.05824293
   0.00860520  0.68642667  0.93601753
   0.62818198  0.02321362  0.10455734
   0.85049265  0.19801674  0.24976116
   0.64945195  0.27977876  0.03067439
   0.85178968  0.44930619  0.40759991
   0.02919726  0.38040163  0.18789167
   0.77566143  0.42629653  0.15618347
   0.68213149  0.14391607  0.39555795
   0.45259153  0.14786319  0.47241189
   0.64058116  0.09803639  0.59065761
   0.84798115  0.22697440  0.82678163
   0.63846718  0.34858184  0.51434406
   0.84428688  0.47632616  0.87519443
   1.00270494  0.45486300  0.67489794
   0.76286408  0.39194978  0.69556655
   0.76580041  0.06718457  0.95952141
   0.51265719  0.09606942  0.94530874
   0.53916416  0.52410846  0.06526997
   0.84028342  0.68164993  0.27702048
   0.53595332  0.78897321  0.05683408
   0.85147854  0.95136988  0.33478732
   0.91363789  0.87495698  0.15631123
   0.65497640  0.85890207  0.23305017
   0.83213540  0.69675889  0.45715277
   0.59193804  0.60341088  0.39268469
   0.66838161  0.59994098  0.58989092
   0.82128695  0.71288053  0.80120073
   0.57437927  0.81600388  0.47968411
   0.96881683  0.97410094  0.82957219
   0.95188036  0.84670109  0.67634760
   0.73966134  0.95185845  0.74037411
   0.74374762  0.66506806  0.98485668
   0.50891862  0.66793891  0.89591034
   0.74946435  0.87656344  0.56999906
   0.48001187  0.80031467  0.50268469
   0.89851675  0.22416044  0.08120135
   0.91230218  0.37493286  0.40143183
   0.32353111  0.10935653  0.63726155
   0.20681992  0.84954965  0.71054467
   0.15156172  1.12426161  0.19675615
   0.26577439  1.12341555  0.05276333
   0.63419337  0.37216207  0.84837171
   0.90320563  0.44367298  0.67577813
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940394    0.103136   -0.107816
    -0.000000    9.794647    0.046349
    -0.000000    0.000000   13.909605
   Si   O    H 
    32    64    10
Direct configuration=  2691
   0.16399950  0.18924206 -0.01576793
   0.34584097  0.11198715  0.39096914
   0.14845219  0.43162293  0.11892925
   0.39715058  0.35042148  0.24689834
   0.06599823  0.12988536  0.48519204
   0.40365764  0.12050137  0.85776707
   0.11630254  0.35729171  0.62020627
   0.38035963  0.37555449  0.74616790
   0.14171202  0.69071545  0.00648842
   0.43513308  0.61395398  0.36830325
   0.07496194  0.91790114  0.14645666
   0.32459379  0.86559120  0.26669579
   0.17968778  0.59343173  0.48207320
   0.35581539  0.62373613  0.84430745
   0.06384319  0.85411987  0.59641347
   0.36672859  0.98636838  0.68091210
   0.63883704  0.11358616  1.01030754
   0.82774540  0.11492173  0.35164098
   0.62294240  0.39314464  0.11090609
   0.88666168  0.30638670  0.16605628
   0.60619355  0.18197311  0.49321825
   0.89557503  0.09961069  0.88973827
   0.63396952  0.43431889  0.61334500
   0.76240722  0.36815096  0.81232031
   0.57884467  0.66198498 -0.00400573
   0.90587397  0.60951271  0.37410630
   0.55686245  0.89134528  0.14086474
   0.81582206  0.84902005  0.25253250
   0.67086188  0.67787392  0.48173332
   0.85554958  0.63533987  0.90374909
   0.65895245  0.94022324  0.63962994
   0.87201609  0.86570026  0.77009972
   0.08198168  0.08396422  0.15678633
   0.34914271  0.20242142  0.29196045
   0.15454695  0.34793065  0.01146152
   0.41172910  0.44959013  0.33536925
   0.54443639  0.33111670  0.20544145
   0.29913033  0.39729159  0.15252464
   0.20119252  0.15559514  0.43347914
  -0.07647442  0.17589255  0.43790621
   0.04455398 -0.03810833  0.50303990
   0.46474768  0.23327707  0.78445853
   0.08122826  0.21192337  0.58309258
   0.37625238  0.45140654  0.84448586
   0.48780358  0.42178750  0.65772706
   0.23261547  0.34889839  0.70781710
   0.26054003  0.16441204 -0.11290253
   0.01373191  0.14616761  0.95796915
   0.11275336  0.59323877  0.10410476
   0.36642496  0.70918280  0.27746165
   0.13711671  0.84637367  0.05212888
   0.37487565  0.94874888  0.35997303
   0.40833726  0.93271074  0.17684572
   0.16695760  0.86474349  0.23888841
   0.34078618  0.63430349  0.46386380
   0.07926903  0.60617420  0.37844325
   0.16957315  0.43987156  0.52488342
   0.30466114  0.66311973  0.73723495
   0.10972469  0.70454599  0.55533421
   0.38974682  0.97553015  0.79873996
   0.49335641  0.90136620  0.63188893
   0.20581875  0.91177002  0.66355929
   0.27710451  0.66646144 -0.05868744
   0.00765204  0.68643674  0.93624931
   0.62772868  0.02348083  0.10445048
   0.84975495  0.19832840  0.24878290
   0.64893154  0.27953726  0.02919233
   0.84983228  0.44961777  0.40683293
   0.03016904  0.38187146  0.18959038
   0.77406032  0.42654355  0.15469451
   0.68364230  0.14174662  0.39475560
   0.45198835  0.14787931  0.47251652
   0.64036015  0.09888222  0.58987019
   0.84694419  0.22820177  0.82696864
   0.63903508  0.34632584  0.51346305
   0.84557426  0.47427754  0.87553494
   1.00280678  0.45458542  0.67376837
   0.76338823  0.39077732  0.69563469
   0.76496447  0.06689759  0.95837604
   0.51234004  0.09740702  0.94343001
   0.53861523  0.52595037  0.06576733
   0.84021150  0.68225132  0.27836095
   0.53592186  0.78814940  0.05694881
   0.85202512  0.95311978  0.33500655
   0.91336638  0.87486847  0.15596160
   0.65384491  0.85802002  0.23422105
   0.83370284  0.69576697  0.45693825
   0.59264295  0.60344373  0.39219511
   0.66985197  0.59933739  0.58834987
   0.82226811  0.71454506  0.80150939
   0.57457435  0.81849486  0.48066058
   0.96733684  0.97273881  0.82919048
   0.95228403  0.84715466  0.67624497
   0.74167565  0.95015413  0.74084324
   0.74503818  0.66654713  0.98497010
   0.50771243  0.66695465  0.89497496
   0.74243434  0.87949772  0.56954873
   0.49096643  0.80421942  0.50479230
   0.89663223  0.23031571  0.07923636
   0.90546205  0.36911942  0.39582180
   0.32469587  0.11561015  0.63707512
   0.21626996  0.82931133  0.71334650
   0.14860375  1.12297958  0.19875734
   0.26561832  1.12364873  0.04999594
   0.63268729  0.37480714  0.84750019
   0.90215934  0.43805797  0.67801889
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942075    0.103773   -0.110760
    -0.000000    9.795462    0.046624
    -0.000000    0.000000   13.908040
   Si   O    H 
    32    64    10
Direct configuration=  2692
   0.16410451  0.19178764 -0.01539877
   0.34534443  0.11161230  0.39160007
   0.14831613  0.43183158  0.11853215
   0.39658282  0.35169540  0.24633607
   0.06573071  0.13047077  0.48609836
   0.40363554  0.12013529  0.85757993
   0.11614070  0.35699779  0.62013334
   0.37990539  0.37556947  0.74682821
   0.14202057  0.68881907  0.00578339
   0.43559316  0.61398127  0.36841203
   0.07473604  0.91861572  0.14641100
   0.32511458  0.86620479  0.26720124
   0.17835270  0.59421707  0.48234680
   0.35637318  0.62380242  0.84475318
   0.06368065  0.85325589  0.59638881
   0.36696108  0.98654877  0.68121017
   0.63928353  0.11517857  1.01038973
   0.82865717  0.11509803  0.35109832
   0.62458305  0.39428121  0.11146615
   0.88617173  0.30710079  0.16570556
   0.60724436  0.18268330  0.49397111
   0.89539642  0.09845707  0.88973335
   0.63420846  0.43427967  0.61397946
   0.76228030  0.36729651  0.81168155
   0.57861934  0.66154043 -0.00437993
   0.90585048  0.60821194  0.37326225
   0.55597862  0.89150534  0.14101588
   0.81646557  0.84984122  0.25183461
   0.67101727  0.67668336  0.48188052
   0.85551711  0.63495061  0.90451767
   0.66014030  0.94071822  0.63971608
   0.87150812  0.86440549  0.76830927
   0.08286902  0.08359656  0.15719941
   0.35007634  0.20254749  0.29301034
   0.15515511  0.34684570  0.01185457
   0.41103221  0.45053705  0.33628695
   0.54551896  0.33079119  0.20572960
   0.29969486  0.39574224  0.15261387
   0.20241582  0.15421882  0.43403815
  -0.07611551  0.17737538  0.43649900
   0.04677423 -0.03547643  0.50359332
   0.46624094  0.23316432  0.78530218
   0.07962833  0.21111746  0.58395218
   0.37797063  0.45188929  0.84526922
   0.48961805  0.42225248  0.65886921
   0.23274549  0.35131150  0.70814387
   0.26046858  0.16355330 -0.11283885
   0.01573163  0.14510604  0.95648736
   0.11190350  0.59419842  0.10349041
   0.36845772  0.70834718  0.27774581
   0.13763277  0.84698151  0.05154003
   0.37331477  0.94974881  0.35858894
   0.40853876  0.93336654  0.17674348
   0.16722429  0.86346004  0.23864784
   0.33838404  0.63511691  0.46424671
   0.07717754  0.60659374  0.37818957
   0.17058100  0.43869529  0.52375899
   0.30390038  0.66523719  0.73687937
   0.10950842  0.70455228  0.55625507
   0.39028996  0.97593103  0.79981132
   0.49131864  0.90205791  0.63348352
   0.20724923  0.91063285  0.66353253
   0.27670310  0.66689479 -0.05895222
   0.00663505  0.68655514  0.93654430
   0.62709098  0.02403555  0.10387609
   0.84951173  0.19842214  0.24822092
   0.64815472  0.27951885  0.02808550
   0.84872279  0.45050743  0.40646625
   0.03018877  0.38296625  0.19191139
   0.77226603  0.42652849  0.15345118
   0.68541567  0.13905085  0.39340045
   0.45153189  0.14853139  0.47274339
   0.64042325  0.09951087  0.58875592
   0.84630510  0.22938760  0.82690499
   0.63951051  0.34437811  0.51235876
   0.84697845  0.47304033  0.87626757
   1.00309319  0.45389574  0.67271790
   0.76387788  0.39023335  0.69576653
   0.76653078  0.06669069  0.95685686
   0.51100663  0.09917469  0.94148843
   0.53861189  0.52854498  0.06594662
   0.83972764  0.68315822  0.27942600
   0.53590038  0.78737745  0.05716982
   0.85265668  0.95430996  0.33566601
   0.91331925  0.87525535  0.15529241
   0.65215381  0.85665415  0.23500966
   0.83493046  0.69545000  0.45725925
   0.59369581  0.60331914  0.39171379
   0.67090411  0.59859262  0.58696929
   0.82249585  0.71656102  0.80184878
   0.57562427  0.82122124  0.48128966
   0.96573870  0.97110008  0.82922593
   0.95304689  0.84760138  0.67534099
   0.74229912  0.94915992  0.74118957
   0.74616782  0.66863378  0.98466129
   0.50682768  0.66625111  0.89356752
   0.73919142  0.87709035  0.56989221
   0.48785386  0.80035395  0.51255615
   0.89747985  0.23544391  0.07519239
   0.90012147  0.36566312  0.38842378
   0.32665791  0.11927450  0.63782793
   0.22711605  0.80901830  0.71312746
   0.14918244  1.12049608  0.19948157
   0.26058218  1.12466307  0.04724607
   0.63044988  0.38100562  0.84666136
   0.90001576  0.42996520  0.68029097
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943445    0.104585   -0.114100
    -0.000000    9.796952    0.046652
    -0.000000    0.000000   13.906362
   Si   O    H 
    32    64    10
Direct configuration=  2693
   0.16432500  0.19372670 -0.01476154
   0.34513451  0.11057623  0.39207611
   0.14778435  0.43294749  0.11794963
   0.39580475  0.35246864  0.24586908
   0.06518708  0.13100562  0.48731842
   0.40403981  0.11967243  0.85753334
   0.11634361  0.35671377  0.62050842
   0.37997094  0.37551651  0.74727811
   0.14244376  0.68704902  0.00485020
   0.43569397  0.61342510  0.36839436
   0.07437533  0.91922775  0.14671318
   0.32630324  0.86739395  0.26755577
   0.17711453  0.59539269  0.48237213
   0.35641418  0.62342977  0.84523073
   0.06424075  0.85246671  0.59666770
   0.36752520  0.98763160  0.68183256
   0.63921040  0.11623815  1.01054449
   0.82983404  0.11606206  0.35064891
   0.62605716  0.39568362  0.11189423
   0.88591100  0.30772716  0.16501785
   0.60863616  0.18333039  0.49422100
   0.89515776  0.09695723  0.88976166
   0.63522304  0.43424657  0.61488600
   0.76204895  0.36657325  0.81088515
   0.57809932  0.66085038 -0.00441205
   0.90667895  0.60668230  0.37274765
   0.55591033  0.89203821  0.14110290
   0.81687854  0.85008200  0.25167212
   0.67075634  0.67664178  0.48178582
   0.85591265  0.63393080  0.90547229
   0.66101433  0.94168884  0.63952858
   0.87123820  0.86353919  0.76704627
   0.08411747  0.08395717  0.15732355
   0.35027686  0.20267105  0.29372600
   0.15615634  0.34597353  0.01247600
   0.41056466  0.45150569  0.33723104
   0.54642509  0.32984410  0.20556141
   0.30009345  0.39466965  0.15283184
   0.20389713  0.15384714  0.43411513
  -0.07538212  0.17899178  0.43506374
   0.04830140 -0.03437551  0.50421656
   0.46677122  0.23300066  0.78612246
   0.07832642  0.20953372  0.58458044
   0.37990684  0.45297250  0.84608896
   0.49135730  0.42225357  0.66042322
   0.23189867  0.35338923  0.70760172
   0.25935891  0.16196778 -0.11281894
   0.01767204  0.14370706  0.95529985
   0.11135657  0.59459466  0.10245320
   0.36995244  0.70675897  0.27845208
   0.13819203  0.84794074  0.05153399
   0.37094159  0.95065567  0.35797965
   0.40856669  0.93375142  0.17620932
   0.16719877  0.86279450  0.23836190
   0.33608415  0.63638573  0.46470986
   0.07534388  0.60731778  0.37855538
   0.17202419  0.43811190  0.52207312
   0.30340512  0.66811420  0.73636670
   0.10931719  0.70426776  0.55728455
   0.39161297  0.97607906  0.80015683
   0.49037751  0.90309501  0.63481145
   0.20826474  0.90812763  0.66410467
   0.27560649  0.66660262 -0.05913075
   0.00549752  0.68689128  0.93621911
   0.62701717  0.02513917  0.10340844
   0.84920988  0.19864507  0.24777849
   0.64703800  0.28044415  0.02725221
   0.84819859  0.45084832  0.40572264
   0.03055808  0.38360315  0.19420623
   0.77158576  0.42676190  0.15270281
   0.68669724  0.13605472  0.39265865
   0.45099494  0.14922337  0.47282556
   0.64053159  0.09988639  0.58797046
   0.84617684  0.23024827  0.82658999
   0.63998219  0.34275897  0.51139081
   0.84837223  0.47233071  0.87694104
   1.00312977  0.45262174  0.67190185
   0.76353899  0.39010745  0.69583224
   0.76804973  0.06649577  0.95539362
   0.50963620  0.10129330  0.93981801
   0.53875025  0.53046679  0.06615697
   0.83892865  0.68462759  0.28037854
   0.53582729  0.78717408  0.05700327
   0.85403054  0.95595495  0.33603689
   0.91232213  0.87508550  0.15467898
   0.65088146  0.85513931  0.23567317
   0.83496916  0.69606466  0.45740975
   0.59473084  0.60306450  0.39135092
   0.67244152  0.59787606  0.58624179
   0.82346977  0.71912990  0.80235531
   0.57658846  0.82335298  0.48185116
   0.96377580  0.96885062  0.82910496
   0.95432654  0.84850671  0.67415975
   0.74267497  0.94840842  0.74127262
   0.74666789  0.67065592  0.98445894
   0.50760923  0.66555809  0.89203077
   0.74349550  0.87400877  0.57166180
   0.48628734  0.80016703  0.51959246
   0.89777976  0.24026405  0.07180210
   0.89211818  0.36928390  0.38167609
   0.33034432  0.11961181  0.63616179
   0.23998432  0.78365416  0.71086389
   0.15246844  1.11986238  0.20002277
   0.25707651  1.12056328  0.04578388
   0.62602282  0.38219888  0.84816814
   0.90407448  0.42249301  0.68155584
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944879    0.105154   -0.117088
    -0.000000    9.798653    0.046484
    -0.000000    0.000000   13.904730
   Si   O    H 
    32    64    10
Direct configuration=  2694
   0.16457525  0.19492670 -0.01446686
   0.34530636  0.11026760  0.39245836
   0.14737524  0.43355553  0.11802628
   0.39458521  0.35253240  0.24589858
   0.06390336  0.13083168  0.48848068
   0.40423016  0.11976798  0.85706644
   0.11655320  0.35706061  0.62136814
   0.38009066  0.37546544  0.74782578
   0.14248088  0.68532824  0.00397655
   0.43582032  0.61334606  0.36833844
   0.07380969  0.91973361  0.14722495
   0.32799528  0.86856858  0.26728790
   0.17558456  0.59652610  0.48284153
   0.35638217  0.62327328  0.84587844
   0.06529575  0.85235958  0.59714278
   0.36765217  0.98811079  0.68211589
   0.63911801  0.11759663  1.01062902
   0.83099963  0.11746993  0.35013223
   0.62723750  0.39718274  0.11227561
   0.88604828  0.30820462  0.16434008
   0.60978646  0.18334442  0.49416257
   0.89582940  0.09536671  0.88962704
   0.63662211  0.43442928  0.61537424
   0.76145368  0.36625096  0.81006275
   0.57797668  0.66036980 -0.00442967
   0.90701644  0.60477662  0.37246930
   0.55563850  0.89274722  0.14121287
   0.81701261  0.85049399  0.25122574
   0.67068503  0.67643647  0.48197120
   0.85648957  0.63256538  0.90607745
   0.66180725  0.94220180  0.63918269
   0.87086947  0.86216240  0.76619495
   0.08477590  0.08421856  0.15721810
   0.35043280  0.20333853  0.29389871
   0.15718364  0.34478383  0.01340363
   0.40995571  0.45319574  0.33858337
   0.54718595  0.32924700  0.20548892
   0.30021193  0.39411287  0.15346135
   0.20482189  0.15289723  0.43424323
  -0.07504351  0.18087878  0.43384195
   0.04995706 -0.03385123  0.50527587
   0.46695966  0.23344899  0.78588211
   0.07734539  0.20830987  0.58512105
   0.38121339  0.45525378  0.84690345
   0.49211608  0.42213162  0.66202808
   0.23051509  0.35452648  0.70734440
   0.25716110  0.16064426 -0.11250345
   0.01957194  0.14301137  0.95428059
   0.11122985  0.59466845  0.10121264
   0.37143135  0.70477975  0.27968720
   0.13803343  0.84842267  0.05193967
   0.36897744  0.95243255  0.35822643
   0.40817827  0.93295399  0.17593075
   0.16756207  0.86252723  0.23846201
   0.33466972  0.63737009  0.46427176
   0.07431415  0.60718440  0.37938527
   0.17384495  0.43782383  0.52040612
   0.30311892  0.67038103  0.73637478
   0.10924982  0.70426585  0.55848421
   0.39213138  0.97568189  0.79999808
   0.48953608  0.90378025  0.63629577
   0.20916250  0.90523239  0.66375303
   0.27391324  0.66675334 -0.05922048
   0.00433416  0.68699232  0.93571933
   0.62650235  0.02632514  0.10262737
   0.84918807  0.19825817  0.24783805
   0.64539413  0.28100560  0.02624809
   0.84764783  0.45195120  0.40486847
   0.03109079  0.38399038  0.19635262
   0.77125440  0.42698778  0.15195721
   0.68724055  0.13411777  0.39222305
   0.45096701  0.14957778  0.47299081
   0.64115851  0.09997266  0.58783839
   0.84677957  0.23066822  0.82655013
   0.64068876  0.34184087  0.51176523
   0.84956380  0.47210991  0.87770918
   1.00248758  0.45037431  0.67101483
   0.76293520  0.38979885  0.69528310
   0.76931059  0.06596573  0.95348763
   0.50852680  0.10293475  0.93861135
   0.53951346  0.53188580  0.06624514
   0.83839736  0.68703230  0.28127892
   0.53543883  0.78736456  0.05708575
   0.85534802  0.95701278  0.33628098
   0.91175124  0.87478624  0.15412818
   0.64971739  0.85324240  0.23559642
   0.83469360  0.69805906  0.45784749
   0.59594364  0.60322047  0.39095309
   0.67325169  0.59722618  0.58510339
   0.82400417  0.72110543  0.80317302
   0.57783005  0.82563693  0.48216952
   0.96136697  0.96700518  0.82919038
   0.95514421  0.84878439  0.67281160
   0.74286797  0.94840834  0.74175663
   0.74672498  0.67213827  0.98435083
   0.50810511  0.66469054  0.89016524
   0.74917716  0.86960451  0.57325453
   0.49294038  0.79869534  0.52216303
   0.89893542  0.24293450  0.06954902
   0.89015240  0.37088469  0.37505819
   0.33561951  0.11955437  0.62997221
   0.25481846  0.75564279  0.70930067
   0.15193352  1.11565916  0.19857022
   0.25510329  1.11506195  0.04702149
   0.62202363  0.38378574  0.84898162
   0.91440112  0.41901435  0.68083404
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946247    0.105954   -0.120682
    -0.000000    9.800205    0.046170
    -0.000000    0.000000   13.903282
   Si   O    H 
    32    64    10
Direct configuration=  2695
   0.16544770  0.19555648 -0.01431863
   0.34543765  0.10938472  0.39282359
   0.14707875  0.43432517  0.11783787
   0.39307658  0.35248824  0.24660031
   0.06292813  0.13012119  0.48940694
   0.40437039  0.12010194  0.85631457
   0.11631479  0.35836775  0.62213549
   0.38049561  0.37485715  0.74844474
   0.14240388  0.68427571  0.00313200
   0.43595206  0.61309759  0.36788081
   0.07337550  0.92030609  0.14798357
   0.32963075  0.86958311  0.26674591
   0.17459776  0.59691491  0.48337250
   0.35621072  0.62305765  0.84625976
   0.06685020  0.85304154  0.59718574
   0.36715666  0.98882749  0.68243414
   0.63894593  0.11922779  1.01145535
   0.83213624  0.11877795  0.34932903
   0.62829106  0.39810936  0.11253293
   0.88609096  0.30817965  0.16399610
   0.61065079  0.18307242  0.49386117
   0.89598714  0.09361147  0.88948861
   0.63820752  0.43460253  0.61550507
   0.76045559  0.36517472  0.80950603
   0.57832859  0.65967375 -0.00450307
   0.90705889  0.60310220  0.37229609
   0.55589102  0.89288499  0.14194957
   0.81720662  0.85050746  0.25089748
   0.67067697  0.67614653  0.48200645
   0.85706053  0.63210794  0.90646368
   0.66207287  0.94336163  0.63844304
   0.87045313  0.86111962  0.76547587
   0.08474252  0.08420885  0.15697788
   0.35105611  0.20444505  0.29382169
   0.15735062  0.34515962  0.01479138
   0.40988300  0.45429050  0.33975721
   0.54854826  0.32967772  0.20580020
   0.30038563  0.39329502  0.15422627
   0.20494877  0.15179954  0.43430208
  -0.07390190  0.18229763  0.43251754
   0.05184111 -0.03362355  0.50622403
   0.46637564  0.23445432  0.78559618
   0.07695288  0.20636205  0.58594755
   0.38242937  0.45678198  0.84716002
   0.49288958  0.42151797  0.66382394
   0.22876007  0.35586688  0.70730734
   0.25517939  0.15968207 -0.11293472
   0.02119797  0.14193847  0.95387053
   0.11074762  0.59402943  0.10025939
   0.37295327  0.70306783  0.28082254
   0.13768729  0.84934505  0.05208018
   0.36796835  0.95403723  0.35895042
   0.40768011  0.93254752  0.17576609
   0.16784930  0.86203409  0.23886888
   0.33423323  0.63830847  0.46366130
   0.07380825  0.60784216  0.38019590
   0.17557892  0.43732282  0.51929156
   0.30321272  0.67205959  0.73678166
   0.10953427  0.70452011  0.56008200
   0.39337685  0.97516349  0.79918346
   0.49035527  0.90424049  0.63773468
   0.20996090  0.90284162  0.66379407
   0.27204516  0.66749337 -0.05893742
   0.00371566  0.68653904  0.93549206
   0.62564837  0.02717118  0.10112707
   0.84885691  0.19751259  0.24805005
   0.64392943  0.28167053  0.02554970
   0.84685290  0.45268191  0.40398343
   0.03161387  0.38428426  0.19827598
   0.77163217  0.42767576  0.15174580
   0.68712599  0.13334768  0.39211267
   0.45229061  0.15030234  0.47351491
   0.64213911  0.09923607  0.58813738
   0.84710478  0.22983747  0.82662908
   0.64185927  0.34106544  0.51263667
   0.85077570  0.47155713  0.87877775
   1.00194496  0.44844504  0.66999264
   0.76206429  0.38949255  0.69465258
   0.77027455  0.06531566  0.95144182
   0.50782498  0.10417953  0.93724044
   0.53971937  0.53301603  0.06644922
   0.83785186  0.68955660  0.28161071
   0.53508346  0.78864655  0.05721708
   0.85729469  0.95854180  0.33633769
   0.91130692  0.87458846  0.15440257
   0.64866798  0.85164752  0.23563906
   0.83463895  0.70048449  0.45871828
   0.59707700  0.60421910  0.39067901
   0.67362861  0.59557159  0.58342926
   0.82519470  0.72168794  0.80458050
   0.57749590  0.82763760  0.48198333
   0.95892085  0.96477540  0.82965919
   0.95613650  0.84942177  0.67102319
   0.74218415  0.94868944  0.74223910
   0.74669386  0.67320267  0.98439753
   0.50881642  0.66348967  0.88785664
   0.75642198  0.86575909  0.57622908
   0.50711593  0.80023330  0.52070336
   0.89755712  0.24420660  0.06677294
   0.88666320  0.37512857  0.36846108
   0.34561524  0.11928806  0.62533008
   0.26974669  0.73452878  0.71139938
   0.16169592  1.11365975  0.20164516
   0.25381616  1.11057891  0.05169626
   0.62385902  0.38232389  0.84690676
   0.91679279  0.41434706  0.68037931
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947465    0.106807   -0.124586
    -0.000000    9.802381    0.046384
    -0.000000    0.000000   13.901478
   Si   O    H 
    32    64    10
Direct configuration=  2696
   0.16633715  0.19512081 -0.01409410
   0.34521525  0.10931781  0.39311193
   0.14655928  0.43484633  0.11767494
   0.39237611  0.35209274  0.24733091
   0.06218993  0.13016803  0.49001306
   0.40423296  0.12018360  0.85543649
   0.11630951  0.35959233  0.62267682
   0.38176459  0.37376646  0.74868445
   0.14212349  0.68394748  0.00272110
   0.43648643  0.61255670  0.36774246
   0.07326991  0.92092738  0.14881627
   0.33097549  0.86986287  0.26636164
   0.17384440  0.59697061  0.48340017
   0.35589416  0.62299998  0.84617097
   0.06934719  0.85368887  0.59656389
   0.36646067  0.98876194  0.68247771
   0.63832971  0.12087293  1.01171278
   0.83324603  0.11968413  0.34847942
   0.62919174  0.39828981  0.11286529
   0.88675446  0.30851268  0.16358078
   0.61179672  0.18290906  0.49328351
   0.89601603  0.09189615  0.88935550
   0.63970809  0.43434122  0.61543567
   0.75954376  0.36408590  0.80972352
   0.57890148  0.65892853 -0.00474522
   0.90728001  0.60151119  0.37193042
   0.55636021  0.89283380  0.14252930
   0.81806253  0.85017369  0.25074759
   0.67131042  0.67680416  0.48196613
   0.85760867  0.63179468  0.90657108
   0.66190825  0.94490321  0.63787271
   0.87048544  0.86069259  0.76491520
   0.08501390  0.08491217  0.15736398
   0.35145558  0.20541984  0.29365715
   0.15755993  0.34705956  0.01638416
   0.40945121  0.45472806  0.34067817
   0.54945089  0.33027426  0.20652978
   0.29946648  0.39259047  0.15475052
   0.20449155  0.15073080  0.43388412
  -0.07290744  0.18350835  0.43139896
   0.05303222 -0.03323026  0.50757994
   0.46523015  0.23477529  0.78463506
   0.07688228  0.20498773  0.58747535
   0.38331506  0.45878404  0.84776053
   0.49345319  0.42146824  0.66575450
   0.22728176  0.35722134  0.70760447
   0.25261753  0.15866230 -0.11306708
   0.02189893  0.14043201  0.95372202
   0.11093960  0.59331761  0.09978022
   0.37377025  0.70246937  0.28199383
   0.13603196  0.84933205  0.05222842
   0.36746323  0.95487811  0.36008412
   0.40679797  0.93183347  0.17564323
   0.16816994  0.86040580  0.23863348
   0.33426592  0.63924481  0.46339591
   0.07308049  0.60827515  0.38109707
   0.17731591  0.43766288  0.51871908
   0.30587102  0.66992020  0.73913210
   0.10911133  0.70464730  0.56112271
   0.39435126  0.97444953  0.79874760
   0.49258921  0.90469532  0.63877521
   0.21108462  0.90114985  0.66349494
   0.26968124  0.66863461 -0.05891563
   0.00345075  0.68617118  0.93542836
   0.62493691  0.02793811  0.09984654
   0.84909665  0.19681240  0.24822708
   0.64238636  0.28243566  0.02490346
   0.84570963  0.45293850  0.40328732
   0.03202725  0.38473320  0.20012192
   0.77355498  0.42809954  0.15141780
   0.68565353  0.13306859  0.39140277
   0.45295919  0.15047480  0.47410017
   0.64368583  0.09824375  0.58865172
   0.84767453  0.22802146  0.82646900
   0.64204006  0.34083492  0.51386873
   0.85222370  0.47170864  0.87932011
   1.00252155  0.44716697  0.66918029
   0.76178153  0.38925546  0.69339993
   0.77095098  0.06395473  0.94973202
   0.50801700  0.10520926  0.93692532
   0.54064912  0.53376044  0.06654213
   0.83817324  0.69159871  0.28155518
   0.53543685  0.79073990  0.05732378
   0.85827173  0.95905613  0.33587877
   0.90976902  0.87468984  0.15493584
   0.64811676  0.84965985  0.23595530
   0.83441940  0.70253302  0.45932187
   0.59732353  0.60493696  0.38982402
   0.67300731  0.59416209  0.58204895
   0.82572239  0.72110833  0.80600885
   0.57780103  0.82921300  0.48110696
   0.95733752  0.96335220  0.83026756
   0.95685927  0.84881298  0.66905511
   0.74095736  0.94954634  0.74244936
   0.74624009  0.67334560  0.98467679
   0.50923877  0.66286624  0.88543617
   0.76369336  0.86124637  0.58224946
   0.51062910  0.79975668  0.52344242
   0.89517753  0.24596225  0.06573372
   0.88355177  0.38217941  0.36295698
   0.35391700  0.11716813  0.62144927
   0.25509928  0.76754243  0.69241278
   0.16128861  1.10953127  0.19990401
   0.25095663  1.10877165  0.05438554
   0.62513448  0.37990623  0.84391752
   0.90784032  0.40541150  0.68146859
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948196    0.107448   -0.127715
    -0.000000    9.804784    0.046699
    -0.000000    0.000000   13.899730
   Si   O    H 
    32    64    10
Direct configuration=  2697
   0.16706385  0.19371156 -0.01370629
   0.34523212  0.10934786  0.39347482
   0.14635726  0.43539573  0.11753569
   0.39234101  0.35207403  0.24791975
   0.06166265  0.13084363  0.49024248
   0.40404068  0.11992875  0.85444318
   0.11647712  0.36094790  0.62279585
   0.38265000  0.37278930  0.74908113
   0.14202135  0.68399238  0.00242777
   0.43730719  0.61221017  0.36783484
   0.07353899  0.92024244  0.14965964
   0.33225042  0.86979956  0.26606173
   0.17326177  0.59737166  0.48369374
   0.35629183  0.62250432  0.84590237
   0.07216510  0.85417638  0.59601146
   0.36582910  0.98882953  0.68208507
   0.63752619  0.12258207  1.01191482
   0.83435229  0.12021060  0.34766038
   0.62938295  0.39867011  0.11288852
   0.88828384  0.30846413  0.16313269
   0.61323677  0.18310691  0.49267269
   0.89656532  0.09058228  0.88935549
   0.64097142  0.43448271  0.61559586
   0.75885863  0.36344573  0.81028092
   0.57953754  0.65871517 -0.00493839
   0.90747439  0.59952462  0.37143209
   0.55674582  0.89296653  0.14307438
   0.81844721  0.84971099  0.25073354
   0.67227070  0.67797119  0.48182126
   0.85897003  0.63215857  0.90653009
   0.66150001  0.94685325  0.63737323
   0.87094601  0.86055802  0.76433498
   0.08487950  0.08539318  0.15806568
   0.35104552  0.20672022  0.29346136
   0.15606212  0.34980406  0.01770064
   0.40844541  0.45502723  0.34162467
   0.54921943  0.33095087  0.20721954
   0.29805057  0.39219510  0.15558740
   0.20354976  0.14990493  0.43330860
  -0.07160257  0.18422233  0.43054187
   0.05369950 -0.03374420  0.50880750
   0.46345680  0.23478339  0.78398055
   0.07669102  0.20424980  0.58880563
   0.38348066  0.46097161  0.84785577
   0.49429630  0.42157759  0.66779802
   0.22662763  0.35745946  0.70770682
   0.24998048  0.15838879 -0.11344074
   0.02317539  0.13926081  0.95343286
   0.11128236  0.59244543  0.09900754
   0.37450847  0.70190615  0.28284257
   0.13422342  0.84886940  0.05250139
   0.36708880  0.95487131  0.36103359
   0.40611228  0.93135324  0.17581599
   0.16884476  0.85864347  0.23839814
   0.33425884  0.64102887  0.46213764
   0.07223133  0.60870647  0.38198658
   0.17885068  0.43772077  0.51810269
   0.30845691  0.66821003  0.74131006
   0.10920394  0.70506624  0.56187976
   0.39416929  0.97365769  0.79775332
   0.49517290  0.90505831  0.63967033
   0.21173760  0.89941166  0.66262651
   0.26704403  0.67024759 -0.05910206
   0.00284036  0.68600662  0.93510150
   0.62437982  0.02890795  0.09897646
   0.84993715  0.19565271  0.24876329
   0.64035388  0.28319768  0.02414089
   0.84478489  0.45325565  0.40183907
   0.03211565  0.38502680  0.20192233
   0.77574241  0.42857343  0.15123379
   0.68416423  0.13284572  0.39049082
   0.45337304  0.15132522  0.47501196
   0.64549782  0.09707264  0.58961478
   0.84808192  0.22648914  0.82599643
   0.64207377  0.34172842  0.51580983
   0.85346362  0.47141572  0.88001404
   1.00223983  0.44625813  0.66888681
   0.76102941  0.38877934  0.69179739
   0.77052962  0.06325588  0.94910865
   0.50871827  0.10621320  0.93730021
   0.54256138  0.53449003  0.06647849
   0.83961948  0.69216389  0.28148323
   0.53603166  0.79247290  0.05734425
   0.85958779  0.95895327  0.33553788
   0.90914611  0.87473799  0.15564198
   0.64783488  0.84739744  0.23626184
   0.83447953  0.70403191  0.46006772
   0.59755050  0.60538690  0.38954867
   0.67175061  0.59244968  0.58081527
   0.82605867  0.72028204  0.80728602
   0.57905486  0.82960469  0.47952451
   0.95655702  0.96211842  0.83040565
   0.95736351  0.84932274  0.66728443
   0.73896747  0.95112095  0.74223456
   0.74585209  0.67352322  0.98528134
   0.51007218  0.66335218  0.88365815
   0.76711876  0.85811789  0.59083981
   0.50289875  0.79631220  0.52913828
   0.89265940  0.24852684  0.06581308
   0.88098685  0.38197838  0.35647676
   0.36273654  0.11125018  0.62029408
   0.24829788  0.79260546  0.68111260
   0.15745071  1.10369002  0.19717691
   0.24676964  1.10813156  0.05388206
   0.61971694  0.37594411  0.84121383
   0.91103796  0.39762204  0.67943396
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948785    0.107257   -0.131338
    -0.000000    9.807150    0.047081
    -0.000000    0.000000   13.897792
   Si   O    H 
    32    64    10
Direct configuration=  2698
   0.16759814  0.19166554 -0.01405970
   0.34498644  0.11010404  0.39383286
   0.14661018  0.43545730  0.11776808
   0.39297081  0.35213238  0.24845397
   0.06075448  0.13115098  0.49012547
   0.40400965  0.11936736  0.85348933
   0.11754675  0.36157890  0.62249830
   0.38261924  0.37256448  0.74965162
   0.14130686  0.68392416  0.00233927
   0.43836816  0.61143176  0.36836847
   0.07450458  0.91945596  0.15073256
   0.33329827  0.86987580  0.26585368
   0.17305513  0.59756189  0.48387385
   0.35615456  0.62240283  0.84561603
   0.07540863  0.85482402  0.59487459
   0.36569285  0.98930295  0.68208801
   0.63723580  0.12410149  1.01154745
   0.83542061  0.12011964  0.34724405
   0.62870706  0.39864238  0.11282521
   0.89017134  0.30823910  0.16306558
   0.61413948  0.18358462  0.49185071
   0.89688967  0.08989343  0.88966487
   0.64245156  0.43480924  0.61574023
   0.75828687  0.36209221  0.81088554
   0.58043885  0.65884050 -0.00533923
   0.90739886  0.59803874  0.37104519
   0.55755475  0.89304382  0.14376090
   0.81858555  0.84942080  0.25081488
   0.67388694  0.67857367  0.48151291
   0.85995493  0.63270724  0.90651757
   0.66109086  0.94882880  0.63684968
   0.87168935  0.86020457  0.76385486
   0.08428934  0.08525252  0.15920851
   0.35110636  0.20770659  0.29345915
   0.15507891  0.35231764  0.01901502
   0.40724627  0.45497155  0.34247723
   0.54895011  0.33106953  0.20691618
   0.29715595  0.39316098  0.15626104
   0.20235412  0.14901540  0.43272166
  -0.07051112  0.18564261  0.42999004
   0.05451925 -0.03439211  0.50971340
   0.46227581  0.23508037  0.78317429
   0.07721053  0.20383368  0.59068199
   0.38370501  0.46296002  0.84787281
   0.49535934  0.42146203  0.66963275
   0.22661340  0.35835122  0.70747480
   0.24793956  0.15794954 -0.11365298
   0.02554993  0.13809524  0.95365529
   0.11195083  0.59139284  0.09811558
   0.37523151  0.70307301  0.28355841
   0.13210603  0.84817249  0.05303922
   0.36736241  0.95418335  0.36189396
   0.40627144  0.93071010  0.17636915
   0.16943428  0.85673588  0.23825020
   0.33411668  0.64341773  0.46095249
   0.07122966  0.60939939  0.38314814
   0.18028221  0.43816409  0.51852707
   0.31049931  0.66646407  0.74333178
   0.10918727  0.70511757  0.56225208
   0.39526614  0.97370442  0.79680098
   0.49809174  0.90543120  0.64120577
   0.21187629  0.89815757  0.66196722
   0.26504859  0.67171458 -0.05944060
   0.00357841  0.68686460  0.93507535
   0.62344769  0.02937608  0.09908729
   0.85141946  0.19461625  0.24901837
   0.63844792  0.28402172  0.02333683
   0.84484286  0.45306546  0.39989569
   0.03317941  0.38523037  0.20319305
   0.77749539  0.42958109  0.15183337
   0.68289444  0.13338060  0.38958514
   0.45378357  0.15200497  0.47577379
   0.64774674  0.09627976  0.58974009
   0.84907008  0.22562132  0.82562325
   0.64232203  0.34344445  0.51794950
   0.85515653  0.47072459  0.88067595
   1.00154318  0.44558381  0.66903296
   0.75988146  0.38782633  0.69020635
   0.76864015  0.06149429  0.94955638
   0.50993325  0.10724348  0.93795703
   0.54481929  0.53465349  0.06618553
   0.84116332  0.69143442  0.28221162
   0.53671656  0.79303809  0.05659875
   0.86016530  0.95910266  0.33491959
   0.90913602  0.87531358  0.15605267
   0.64835184  0.84500974  0.23686889
   0.83415398  0.70557522  0.45998227
   0.59847382  0.60564358  0.38904314
   0.67071451  0.59125489  0.57980379
   0.82636041  0.71860133  0.80804512
   0.57962782  0.82834800  0.47874812
   0.95622889  0.96087605  0.83055058
   0.95744317  0.84942600  0.66550976
   0.73641848  0.95319384  0.74198185
   0.74548805  0.67389360  0.98579035
   0.51131726  0.66399333  0.88216260
   0.76703345  0.85632464  0.59845202
   0.50232878  0.79721112  0.52963762
   0.89299072  0.25262879  0.06849168
   0.87530584  0.38187879  0.35212077
   0.36725859  0.10413945  0.61983726
   0.24666102  0.81426765  0.67145851
   0.16490754  1.10215592  0.20083655
   0.24269790  1.10747854  0.05108837
   0.61512477  0.37026018  0.83972548
   0.91630792  0.39418998  0.67561871
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949330    0.106644   -0.134324
    -0.000000    9.809949    0.047383
    -0.000000    0.000000   13.896271
   Si   O    H 
    32    64    10
Direct configuration=  2699
   0.16830060  0.19044379 -0.01472481
   0.34474705  0.11157719  0.39369182
   0.14693691  0.43558293  0.11806767
   0.39391091  0.35223752  0.24848706
   0.06053292  0.13147742  0.48992595
   0.40371666  0.11865038  0.85265477
   0.11843373  0.36203352  0.62164318
   0.38330191  0.37222509  0.75015062
   0.14054005  0.68545883  0.00220810
   0.43860443  0.61112781  0.36913212
   0.07554732  0.91871655  0.15142225
   0.33395517  0.86945663  0.26561371
   0.17315300  0.59796208  0.48397447
   0.35608151  0.62212753  0.84518082
   0.07819512  0.85576358  0.59383879
   0.36603115  0.99005668  0.68218585
   0.63682213  0.12548750  1.01029594
   0.83595327  0.12019623  0.34733344
   0.62790385  0.39858326  0.11258626
   0.89249004  0.30805312  0.16350605
   0.61447397  0.18402470  0.49098607
   0.89763421  0.08971806  0.88965873
   0.64374505  0.43512956  0.61610214
   0.75750629  0.36089605  0.81144233
   0.58096131  0.65940333 -0.00560634
   0.90821310  0.59745089  0.37096652
   0.55817684  0.89284778  0.14466520
   0.81749854  0.84887527  0.25112669
   0.67565110  0.68003577  0.48136402
   0.86022644  0.63340284  0.90648414
   0.66056599  0.95063335  0.63627456
   0.87202197  0.85987920  0.76341848
   0.08341223  0.08456168  0.16059836
   0.35111671  0.20818881  0.29388479
   0.15394253  0.35402174  0.02008070
   0.40655156  0.45466836  0.34312769
   0.54872256  0.33139873  0.20560954
   0.29691626  0.39416557  0.15668281
   0.20161458  0.14777457  0.43282275
  -0.06928287  0.18673930  0.42965057
   0.05527844 -0.03520741  0.51025717
   0.46078029  0.23565147  0.78289916
   0.07678473  0.20329015  0.59224504
   0.38383571  0.46460887  0.84767621
   0.49604921  0.42205331  0.67075534
   0.22725028  0.35890396  0.70768254
   0.24666471  0.15773800 -0.11428063
   0.02671882  0.13729955  0.95387156
   0.11295017  0.59072981  0.09731920
   0.37539579  0.70414326  0.28441631
   0.12991144  0.84675693  0.05355670
   0.36781469  0.95414414  0.36287531
   0.40713418  0.93064092  0.17642569
   0.16992429  0.85501469  0.23867909
   0.33411676  0.64615789  0.45955035
   0.07044082  0.60987810  0.38419220
   0.18047185  0.43849502  0.51929291
   0.31274940  0.66450064  0.74485394
   0.10862126  0.70383610  0.56231307
   0.39592055  0.97390865  0.79543857
   0.50033206  0.90659128  0.64246822
   0.21292082  0.89859681  0.66131772
   0.26369129  0.67246884 -0.05998986
   0.00424816  0.68735771  0.93498532
   0.62307777  0.02938880  0.09976493
   0.85271896  0.19517523  0.24857156
   0.63679209  0.28480945  0.02285426
   0.84532835  0.45313883  0.39800810
   0.03449095  0.38519552  0.20388231
   0.77913836  0.43007653  0.15283643
   0.68278732  0.13382254  0.38868070
   0.45367250  0.15330860  0.47678748
   0.65040144  0.09667785  0.58980133
   0.84997880  0.22473242  0.82548528
   0.64245964  0.34456076  0.51998161
   0.85611218  0.46949101  0.88086664
   0.99993418  0.44551579  0.66933396
   0.75986405  0.38705748  0.68905739
   0.76644643  0.05960495  0.95070440
   0.51118643  0.10829122  0.93959809
   0.54730792  0.53408445  0.06622190
   0.84318270  0.69025869  0.28332280
   0.53740801  0.79317176  0.05550115
   0.86070980  0.95898672  0.33432255
   0.91010837  0.87598374  0.15597476
   0.64875856  0.84248513  0.23791608
   0.83418175  0.70635697  0.45994889
   0.59913231  0.60540267  0.38846728
   0.66994076  0.58980116  0.57919948
   0.82645773  0.71684639  0.80862176
   0.58018653  0.82631874  0.47846402
   0.95664622  0.96013354  0.83050532
   0.95685098  0.84939318  0.66394079
   0.73321266  0.95506629  0.74228743
   0.74468743  0.67466234  0.98659964
   0.51303462  0.66453901  0.88160527
   0.76492216  0.85625246  0.60517623
   0.51086591  0.80407644  0.52794153
   0.89432553  0.25121642  0.06747592
   0.86722087  0.38000299  0.35341274
   0.37098534  0.10046315  0.61938326
   0.25172391  0.80421502  0.66991279
   0.16637843  1.10205495  0.20449226
   0.24203559  1.10585662  0.05280931
   0.61374251  0.36722611  0.83778539
   0.92340529  0.39421636  0.67164299
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949760    0.105861   -0.137494
    -0.000000    9.812542    0.048168
    -0.000000    0.000000   13.894691
   Si   O    H 
    32    64    10
Direct configuration=  2700
   0.16970705  0.18965718 -0.01549870
   0.34391997  0.11364171  0.39357101
   0.14720544  0.43560916  0.11880888
   0.39431809  0.35316379  0.24880417
   0.06036998  0.13119715  0.48945253
   0.40308269  0.11830041  0.85234069
   0.11945130  0.36266388  0.62053040
   0.38391219  0.37209949  0.75114971
   0.13934188  0.68718447  0.00250040
   0.43902736  0.61053867  0.37007846
   0.07643023  0.91782277  0.15201994
   0.33436005  0.86911067  0.26550920
   0.17405279  0.59830997  0.48416620
   0.35625699  0.62258613  0.84526119
   0.08050655  0.85624139  0.59260625
   0.36618489  0.99065766  0.68257061
   0.63666026  0.12676879  1.00883929
   0.83676222  0.11939325  0.34763749
   0.62688534  0.39869563  0.11231851
   0.89533490  0.30765272  0.16403001
   0.61487898  0.18496316  0.49020578
   0.89889184  0.08913763  0.88949480
   0.64454519  0.43554192  0.61673035
   0.75723021  0.36011415  0.81178774
   0.58200955  0.66010768 -0.00585174
   0.90869033  0.59796329  0.37085951
   0.55858401  0.89308106  0.14537460
   0.81658474  0.84838218  0.25165946
   0.67756492  0.68149463  0.48068317
   0.85988055  0.63372101  0.90644568
   0.66039552  0.95190356  0.63567703
   0.87222510  0.85967346  0.76291686
   0.08244651  0.08341065  0.16211087
   0.35158863  0.20845227  0.29485938
   0.15244025  0.35523302  0.02080117
   0.40621897  0.45432659  0.34430170
   0.54822420  0.33162447  0.20395889
   0.29699042  0.39519125  0.15755449
   0.20006247  0.14636038  0.43353069
  -0.06781197  0.18729623  0.43007461
   0.05562106 -0.03596239  0.51082570
   0.45989304  0.23657736  0.78234488
   0.07654786  0.20304406  0.59375810
   0.38505162  0.46576402  0.84719873
   0.49659223  0.42250936  0.67171358
   0.22867150  0.35910525  0.70788168
   0.24622488  0.15791755 -0.11507827
   0.02695883  0.13630302  0.95420072
   0.11346729  0.59082588  0.09628297
   0.37583877  0.70551961  0.28500948
   0.12819621  0.84548354  0.05375388
   0.36784730  0.95323634  0.36317122
   0.40792739  0.93060993  0.17620049
   0.17015323  0.85364123  0.23895803
   0.33380810  0.64807925  0.45806308
   0.06929488  0.61053782  0.38483394
   0.18065399  0.43893682  0.51968273
   0.31455955  0.66337574  0.74558388
   0.10762995  0.70194063  0.56239459
   0.39672989  0.97441040  0.79426995
   0.50245905  0.90764141  0.64347866
   0.21434179  0.89935115  0.66120975
   0.26326154  0.67244338 -0.06096940
   0.00437022  0.68772348  0.93498706
   0.62242032  0.02973850  0.10102949
   0.85363572  0.19629532  0.24755749
   0.63505104  0.28581082  0.02284360
   0.84524045  0.45366065  0.39540410
   0.03655305  0.38460706  0.20448796
   0.78001629  0.42997592  0.15375348
   0.68314778  0.13329793  0.38859625
   0.45346984  0.15469790  0.47744955
   0.65298320  0.09712202  0.58890093
   0.85072574  0.22436650  0.82471253
   0.64257967  0.34503709  0.52172785
   0.85665124  0.46866038  0.88069516
   0.99948547  0.44577536  0.66939792
   0.75983508  0.38650325  0.68887646
   0.76400145  0.05758031  0.95213767
   0.51181510  0.10878291  0.94097374
   0.55060734  0.53270681  0.06658167
   0.84530123  0.68873070  0.28365297
   0.53751363  0.79310325  0.05433502
   0.86182469  0.95797040  0.33387311
   0.91058396  0.87730585  0.15587130
   0.64922246  0.84066410  0.23885114
   0.83473535  0.70697922  0.45980639
   0.60018714  0.60536276  0.38818462
   0.66923211  0.58848229  0.57836170
   0.82666382  0.71507493  0.80883871
   0.57980825  0.82338911  0.47855125
   0.95755070  0.95975915  0.83004924
   0.95652702  0.84910643  0.66262912
   0.73075973  0.95625257  0.74272150
   0.74511246  0.67456744  0.98752170
   0.51473057  0.66539361  0.88093169
   0.76049128  0.85573285  0.61112215
   0.52153709  0.81140646  0.52150837
   0.89687178  0.25005843  0.06436038
   0.85811143  0.37619297  0.35782510
   0.36999333  0.10517212  0.61736526
   0.26245678  0.78866667  0.67282387
   0.15880920  1.10029718  0.20165371
   0.24181039  1.10724230  0.05410400
   0.61518378  0.35996668  0.83739553
   0.91584254  0.38870069  0.66726455
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950099    0.104990   -0.140928
    -0.000000    9.815073    0.049108
    -0.000000    0.000000   13.893145
   Si   O    H 
    32    64    10
Direct configuration=  2701
   0.17130299  0.18898297 -0.01635813
   0.34387628  0.11593387  0.39314119
   0.14762701  0.43561877  0.11939772
   0.39473141  0.35400498  0.24910171
   0.06024109  0.13001619  0.48940580
   0.40199328  0.11764085  0.85228379
   0.12028543  0.36319272  0.61899756
   0.38439576  0.37239341  0.75193972
   0.13782393  0.68995795  0.00310788
   0.43930191  0.61050683  0.37112360
   0.07759802  0.91658692  0.15278349
   0.33429683  0.86850333  0.26551316
   0.17468414  0.59914856  0.48391932
   0.35752494  0.62324282  0.84573016
   0.08250189  0.85688503  0.59131433
   0.36621040  0.99128418  0.68273738
   0.63691690  0.12731538  1.00776727
   0.83670914  0.11915995  0.34780499
   0.62625222  0.39953398  0.11192616
   0.89793789  0.30690022  0.16471979
   0.61502371  0.18572279  0.48934385
   0.90029626  0.08809444  0.88958826
   0.64509586  0.43551503  0.61705705
   0.75714807  0.35925556  0.81205153
   0.58254485  0.66095310 -0.00626959
   0.90909451  0.59882116  0.37063008
   0.55904103  0.89362746  0.14602531
   0.81563037  0.84765592  0.25239873
   0.67932236  0.68323649  0.48020433
   0.85857225  0.63431632  0.90669204
   0.65973285  0.95301930  0.63536114
   0.87175750  0.85950319  0.76243414
   0.08159553  0.08290185  0.16329815
   0.35172750  0.20834381  0.29544160
   0.15198372  0.35518359  0.02057550
   0.40601003  0.45417829  0.34484099
   0.54746867  0.33227825  0.20213181
   0.29631706  0.39568460  0.15896637
   0.19928148  0.14518637  0.43434160
  -0.06624962  0.18779526  0.43035914
   0.05533371 -0.03588130  0.51075598
   0.45888050  0.23723822  0.78198907
   0.07581673  0.20270140  0.59536368
   0.38523212  0.46576600  0.84645676
   0.49698033  0.42289545  0.67204239
   0.22956754  0.35913636  0.70754155
   0.24713820  0.15880334 -0.11592276
   0.02614768  0.13486418  0.95445562
   0.11394450  0.59098065  0.09554123
   0.37759986  0.70726958  0.28519097
   0.12654633  0.84437807  0.05367882
   0.36888132  0.95222245  0.36342997
   0.40841713  0.93041331  0.17591125
   0.17042336  0.85234604  0.23937417
   0.33313050  0.64971463  0.45738505
   0.06904933  0.61215635  0.38496563
   0.18068138  0.43879791  0.52083914
   0.31491371  0.66258376  0.74448988
   0.10663998  0.69991837  0.56220692
   0.39768486  0.97467262  0.79359179
   0.50416967  0.90862909  0.64405581
   0.21633878  0.89947433  0.66090127
   0.26365809  0.67222381 -0.06217655
   0.00431933  0.68750820  0.93555829
   0.62188658  0.02991771  0.10206828
   0.85440736  0.19740840  0.24674029
   0.63414625  0.28754887  0.02338034
   0.84539563  0.45468672  0.39276584
   0.03779163  0.38423119  0.20416625
   0.78134776  0.43008081  0.15424635
   0.68312611  0.13257581  0.38890475
   0.45260829  0.15575096  0.47779368
   0.65622152  0.09854340  0.58796291
   0.85145170  0.22431991  0.82349743
   0.64291482  0.34485051  0.52261563
   0.85693404  0.46820089  0.88030445
   0.99948112  0.44559651  0.67011431
   0.76023479  0.38581390  0.68945285
   0.76147031  0.05609970  0.95380566
   0.51061685  0.10930716  0.94185533
   0.55385025  0.53162345  0.06710389
   0.84719813  0.68717564  0.28347104
   0.53707045  0.79288065  0.05342698
   0.86220980  0.95681601  0.33374420
   0.91142509  0.87941918  0.15551716
   0.64969099  0.83879210  0.23912151
   0.83503500  0.70661764  0.45942442
   0.60133039  0.60531078  0.38901773
   0.66861834  0.58690753  0.57731717
   0.82726712  0.71328306  0.80966720
   0.58167450  0.82092972  0.47807945
   0.95889737  0.95980043  0.82992107
   0.95639748  0.84810494  0.66182029
   0.72833461  0.95717803  0.74337133
   0.74506843  0.67429942  0.98847661
   0.51633762  0.66592100  0.88052744
   0.75518951  0.85344947  0.61133125
   0.49941592  0.81552442  0.53659964
   0.89990908  0.24653987  0.06426766
   0.84927345  0.36705262  0.36016994
   0.36643461  0.11256042  0.61647977
   0.27296896  0.77474544  0.68187950
   0.15644153  1.09817211  0.20020370
   0.24285289  1.10947041  0.05435738
   0.61957415  0.35526531  0.83762240
   0.90724498  0.38868527  0.66119822
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950506    0.104249   -0.144194
    -0.000000    9.817424    0.049789
    -0.000000    0.000000   13.891484
   Si   O    H 
    32    64    10
Direct configuration=  2702
   0.17323189  0.18825519 -0.01680527
   0.34435833  0.11871699  0.39308477
   0.14796671  0.43539260  0.11989216
   0.39531994  0.35439774  0.24916189
   0.06061883  0.12918940  0.48947900
   0.40065496  0.11663787  0.85236164
   0.12138410  0.36378074  0.61761547
   0.38469083  0.37303356  0.75213187
   0.13667510  0.69295836  0.00404948
   0.43963719  0.61090160  0.37209256
   0.07868067  0.91462623  0.15323574
   0.33429280  0.86721203  0.26589875
   0.17465391  0.60004510  0.48365962
   0.35868359  0.62385768  0.84650987
   0.08447485  0.85766825  0.59044842
   0.36598224  0.99167951  0.68289982
   0.63706806  0.12723306  1.00672386
   0.83636004  0.11944370  0.34801505
   0.62536150  0.40010820  0.11150177
   0.90037986  0.30630919  0.16511977
   0.61525220  0.18617052  0.48872650
   0.90159156  0.08733488  0.88989559
   0.64498582  0.43581822  0.61774874
   0.75800314  0.35841674  0.81277290
   0.58328206  0.66187119 -0.00659026
   0.90936206  0.59980073  0.37049504
   0.55917310  0.89380733  0.14622136
   0.81460887  0.84606882  0.25294139
   0.68047438  0.68453615  0.48016623
   0.85702445  0.63458389  0.90718692
   0.65932279  0.95429630  0.63521886
   0.87054616  0.85898190  0.76213056
   0.08052537  0.08216489  0.16400024
   0.35071263  0.20898926  0.29621546
   0.15160701  0.35489521  0.01977057
   0.40554674  0.45379397  0.34545861
   0.54646680  0.33320712  0.20092534
   0.29601362  0.39632882  0.16036120
   0.19789372  0.14399505  0.43456460
  -0.06544658  0.18796203  0.43063581
   0.05567921 -0.03594033  0.51044257
   0.45782420  0.23792981  0.78184651
   0.07537763  0.20371074  0.59654502
   0.38545500  0.46486702  0.84598758
   0.49695844  0.42295678  0.67216836
   0.23065194  0.35941380  0.70713788
   0.24858130  0.15951893 -0.11675071
   0.02528886  0.13338333  0.95482966
   0.11375324  0.59120156  0.09515461
   0.37960121  0.70881719  0.28503441
   0.12472311  0.84348926  0.05326758
   0.36975222  0.95109236  0.36409533
   0.40877600  0.93015495  0.17579682
   0.17110682  0.85118270  0.23955129
   0.33216724  0.65057295  0.45648507
   0.07020596  0.61366441  0.38487853
   0.17924880  0.43878985  0.52177639
   0.31475876  0.66246024  0.74268085
   0.10595200  0.69828617  0.56228539
   0.39872884  0.97567907  0.79317156
   0.50561402  0.90926447  0.64425327
   0.21919648  0.89931152  0.65992738
   0.26380123  0.67233778 -0.06342811
   0.00409502  0.68745712  0.93602902
   0.62155859  0.03068732  0.10300235
   0.85436707  0.19891148  0.24622219
   0.63289545  0.28941293  0.02464094
   0.84597682  0.45578723  0.39060552
   0.03848211  0.38281382  0.20305511
   0.78190626  0.42994208  0.15432115
   0.68315219  0.13222581  0.38949201
   0.45199312  0.15575416  0.47780118
   0.65925921  0.10012252  0.58707194
   0.85181885  0.22416502  0.82225591
   0.64333065  0.34477796  0.52326708
   0.85660151  0.46842927  0.87991557
   0.99870004  0.44591539  0.67113606
   0.76116651  0.38538521  0.69009365
   0.75906570  0.05498465  0.95545072
   0.50878799  0.11005712  0.94196149
   0.55582573  0.53122794  0.06784216
   0.84867611  0.68638241  0.28301273
   0.53750620  0.79229369  0.05292525
   0.86232014  0.95708791  0.33347037
   0.91203135  0.88128676  0.15559507
   0.65008688  0.83739425  0.23890905
   0.83606697  0.70579413  0.45920522
   0.60220422  0.60508709  0.39003234
   0.66783287  0.58606677  0.57588768
   0.82765816  0.71332987  0.81009730
   0.58295357  0.81857367  0.47822906
   0.95990609  0.96034885  0.82988374
   0.95649835  0.84771943  0.66138684
   0.72641399  0.95821995  0.74351705
   0.74520616  0.67420274  0.98909393
   0.51672041  0.66613926  0.88010060
   0.75103782  0.84711921  0.60684828
   0.49079973  0.81980871  0.54301210
   0.90407518  0.24332747  0.06599953
   0.84657707  0.36229016  0.36302574
   0.35655123  0.11632674  0.61639228
   0.28613383  0.76072578  0.69677166
   0.16698870  1.10260591  0.20299093
   0.24469738  1.10937105  0.05404284
   0.62480988  0.35457688  0.84052195
   0.90442405  0.39590431  0.65934067
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950947    0.102904   -0.147515
    -0.000000    9.820030    0.050801
    -0.000000    0.000000   13.889923
   Si   O    H 
    32    64    10
Direct configuration=  2703
   0.17471527  0.18789137 -0.01779584
   0.34514241  0.12128317  0.39261996
   0.14849163  0.43436675  0.12005737
   0.39644405  0.35472569  0.24948870
   0.06139524  0.12845250  0.48975085
   0.39937977  0.11620866  0.85258121
   0.12252051  0.36429439  0.61635265
   0.38485398  0.37407405  0.75187838
   0.13540886  0.69575995  0.00544337
   0.44034390  0.61164301  0.37280556
   0.07935292  0.91270839  0.15339178
   0.33391799  0.86583209  0.26638220
   0.17439765  0.60180602  0.48327894
   0.35950703  0.62381234  0.84728529
   0.08635888  0.85800886  0.58984279
   0.36572861  0.99233763  0.68237900
   0.63746807  0.12703951  1.00571216
   0.83619293  0.11933082  0.34809786
   0.62497170  0.40069272  0.11128051
   0.90174128  0.30610250  0.16540937
   0.61550160  0.18659747  0.48829909
   0.90201879  0.08684953  0.89024090
   0.64412550  0.43589737  0.61836262
   0.75952233  0.35770963  0.81332004
   0.58293597  0.66340487 -0.00734256
   0.90992055  0.60095914  0.37055786
   0.55970509  0.89386164  0.14615704
   0.81419758  0.84409102  0.25318232
   0.68137517  0.68528964  0.48004703
   0.85577375  0.63362390  0.90748701
   0.65952983  0.95465762  0.63522271
   0.86976053  0.85902221  0.76194494
   0.07977503  0.08196365  0.16540959
   0.35044674  0.20895033  0.29674068
   0.15076315  0.35424699  0.01875056
   0.40547868  0.45242480  0.34602911
   0.54484497  0.33371689  0.19913535
   0.29614204  0.39807661  0.16163076
   0.19715536  0.14214492  0.43450950
  -0.06521609  0.18816835  0.43069542
   0.05586254 -0.03576765  0.51044731
   0.45681426  0.23784916  0.78186284
   0.07557085  0.20385540  0.59772916
   0.38515620  0.46325453  0.84540661
   0.49696258  0.42426315  0.67174045
   0.23188486  0.35920249  0.70702908
   0.25020049  0.15968531 -0.11781207
   0.02460794  0.13242599  0.95499153
   0.11316657  0.59216995  0.09502485
   0.38227286  0.71036811  0.28441610
   0.12382363  0.84345841  0.05314042
   0.37054185  0.95057632  0.36457162
   0.40911765  0.93070823  0.17557300
   0.17217489  0.84934372  0.24015793
   0.33142924  0.65146265  0.45584299
   0.07226042  0.61548990  0.38583423
   0.17759434  0.43867705  0.52323780
   0.31319032  0.66201616  0.74014334
   0.10633686  0.69717774  0.56228830
   0.39966577  0.97706098  0.79306818
   0.50618602  0.90961646  0.64474136
   0.22193058  0.89881856  0.65912198
   0.26470256  0.67180083 -0.06468916
   0.00404895  0.68756944  0.93629129
   0.62143848  0.03174354  0.10378483
   0.85469635  0.19981220  0.24607328
   0.63155095  0.29114739  0.02548168
   0.84660956  0.45616114  0.38861106
   0.03878931  0.38140740  0.20232768
   0.78276368  0.42962500  0.15423238
   0.68302850  0.13207612  0.38960876
   0.45170112  0.15542065  0.47734336
   0.66198442  0.10264669  0.58546402
   0.85211952  0.22354634  0.82093748
   0.64376949  0.34465023  0.52345515
   0.85597205  0.46913669  0.87952128
   0.99802722  0.44547719  0.67132663
   0.76263498  0.38444744  0.69092850
   0.75746185  0.05394204  0.95631095
   0.50635788  0.11034885  0.94152810
   0.55741179  0.53171373  0.06796235
   0.85043669  0.68619351  0.28230482
   0.53709256  0.79219643  0.05269930
   0.86240094  0.95770874  0.33279065
   0.91212954  0.88260843  0.15605460
   0.65013066  0.83564214  0.23884666
   0.83646725  0.70531374  0.45918381
   0.60289242  0.60486584  0.39010322
   0.66654625  0.58639320  0.57422984
   0.82724816  0.71369130  0.81042158
   0.58279442  0.81625906  0.47909422
   0.96111064  0.95993270  0.82989617
   0.95647665  0.84757793  0.66099819
   0.72538747  0.95882362  0.74363209
   0.74593264  0.67370972  0.98931625
   0.51703892  0.66649402  0.88001715
   0.74967189  0.84274966  0.60165995
   0.49765782  0.82176533  0.54244371
   0.90914468  0.24418161  0.06846987
   0.84725292  0.36632678  0.36764632
   0.34825120  0.11965767  0.61795076
   0.29709041  0.73874874  0.71543136
   0.16877344  1.10521902  0.20326514
   0.24839675  1.10719887  0.05471174
   0.62739177  0.35437514  0.84229781
   0.90912752  0.40797969  0.65913124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951095    0.100955   -0.151474
    -0.000000    9.822496    0.052079
    -0.000000    0.000000   13.888263
   Si   O    H 
    32    64    10
Direct configuration=  2704
   0.17564511  0.18735601 -0.01869595
   0.34646423  0.12327640  0.39237801
   0.14848813  0.43345166  0.12023221
   0.39868823  0.35481651  0.25022246
   0.06179364  0.12768751  0.49030403
   0.39851865  0.11566144  0.85279797
   0.12338601  0.36426146  0.61552640
   0.38434976  0.37493075  0.75126701
   0.13374895  0.69867122  0.00704741
   0.44044409  0.61184531  0.37368090
   0.07965996  0.91094241  0.15353673
   0.33333183  0.86456971  0.26643838
   0.17428600  0.60297638  0.48269042
   0.35966030  0.62406493  0.84761895
   0.08824186  0.85833763  0.58950194
   0.36520003  0.99233197  0.68156997
   0.63776615  0.12685387  1.00499521
   0.83541227  0.11923269  0.34813318
   0.62532524  0.40094829  0.11108035
   0.90264384  0.30570063  0.16527020
   0.61561332  0.18721174  0.48851385
   0.90233416  0.08674406  0.89029424
   0.64319076  0.43615854  0.61938085
   0.76102469  0.35753745  0.81393985
   0.58272514  0.66475210 -0.00733025
   0.91008503  0.60203039  0.37051062
   0.55966928  0.89385581  0.14606550
   0.81414739  0.84235729  0.25343396
   0.68217542  0.68595181  0.47958045
   0.85393274  0.63211990  0.90804320
   0.66054479  0.95460308  0.63493773
   0.86883111  0.85939829  0.76160472
   0.08011588  0.08172176  0.16721435
   0.34981090  0.20918517  0.29683045
   0.15018151  0.35316549  0.01720091
   0.40491441  0.45117843  0.34609667
   0.54323806  0.33374943  0.19804841
   0.29634297  0.39938246  0.16286662
   0.19647784  0.14095317  0.43397603
  -0.06430512  0.18868798  0.43064639
   0.05538758 -0.03615013  0.50984449
   0.45509707  0.23719516  0.78211871
   0.07532684  0.20389194  0.59820389
   0.38454604  0.46159565  0.84502041
   0.49631238  0.42570978  0.67113484
   0.23191809  0.35912434  0.70656583
   0.25190360  0.15890130 -0.11892001
   0.02471973  0.13170937  0.95520965
   0.11276505  0.59311197  0.09502476
   0.38446533  0.71099277  0.28414470
   0.12348448  0.84289964  0.05246525
   0.37079471  0.95092937  0.36515347
   0.40883483  0.93166342  0.17548549
   0.17377879  0.84794989  0.24070018
   0.32988935  0.65183540  0.45562787
   0.07478278  0.61692369  0.38708123
   0.17587385  0.43990684  0.52434385
   0.31240799  0.65948433  0.73871793
   0.10704438  0.69720839  0.56109780
   0.40061020  0.97764650  0.79311689
   0.50532606  0.90978353  0.64487598
   0.22442663  0.89886690  0.65868650
   0.26564940  0.67025463 -0.06624473
   0.00357728  0.68729116  0.93642729
   0.62144767  0.03283927  0.10431010
   0.85518012  0.20160784  0.24604209
   0.63136721  0.29277495  0.02578068
   0.84786605  0.45686876  0.38706105
   0.03846394  0.38050710  0.20192641
   0.78420156  0.42941079  0.15419462
   0.68328397  0.13207519  0.38978593
   0.45160008  0.15607290  0.47618812
   0.66510504  0.10561419  0.58292337
   0.85227281  0.22190583  0.82021607
   0.64437693  0.34361056  0.52385187
   0.85528947  0.47011829  0.87850800
   0.99755646  0.44504305  0.67104884
   0.76457766  0.38391299  0.69176906
   0.75629461  0.05319691  0.95669886
   0.50283311  0.11069385  0.94049079
   0.55816374  0.53324805  0.06779993
   0.85165997  0.68711750  0.28066088
   0.53686073  0.79214683  0.05198037
   0.86227538  0.95799307  0.33214178
   0.91183273  0.88343202  0.15700216
   0.65014645  0.83441812  0.23848358
   0.83794462  0.70445265  0.45861093
   0.60345336  0.60368788  0.39030090
   0.66578761  0.58642496  0.57314870
   0.82684889  0.71415200  0.81084032
   0.58183444  0.81408836  0.48024058
   0.96239594  0.95925784  0.83039708
   0.95718690  0.84761728  0.66073903
   0.72472247  0.95858365  0.74338346
   0.74691547  0.67443477  0.98938224
   0.51710687  0.66655279  0.88041814
   0.74799460  0.84051032  0.59705395
   0.51528611  0.81996385  0.53484123
   0.91550388  0.24598976  0.07041567
   0.84743261  0.36695171  0.36761360
   0.33970564  0.11802245  0.62199469
   0.29566008  0.75777465  0.71856073
   0.15896675  1.10855041  0.19644620
   0.25196865  1.10889830  0.05503451
   0.62537945  0.35020656  0.84395047
   0.91333119  0.41680266  0.65987547
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951057    0.098989   -0.155657
    -0.000000    9.825063    0.052996
    -0.000000    0.000000   13.886579
   Si   O    H 
    32    64    10
Direct configuration=  2705
   0.17587308  0.18713361 -0.01953821
   0.34778089  0.12381338  0.39180690
   0.14840038  0.43256618  0.12010559
   0.40006662  0.35450507  0.25085636
   0.06253599  0.12678430  0.49109003
   0.39782671  0.11524810  0.85274135
   0.12395145  0.36425133  0.61512857
   0.38356981  0.37516271  0.75044923
   0.13200763  0.70160166  0.00784151
   0.44061545  0.61192011  0.37450081
   0.07970591  0.90922480  0.15416604
   0.33280887  0.86386910  0.26655230
   0.17428884  0.60434881  0.48188593
   0.36011579  0.62395367  0.84755159
   0.09007410  0.85839512  0.58954473
   0.36451619  0.99197749  0.68038493
   0.63745500  0.12731722  1.00437962
   0.83454873  0.11865521  0.34775100
   0.62609323  0.40125689  0.11131015
   0.90329405  0.30548044  0.16516878
   0.61515369  0.18742991  0.48874000
   0.90222444  0.08660273  0.89048402
   0.64202530  0.43731008  0.62006687
   0.76290261  0.35729582  0.81479292
   0.58231468  0.66593479 -0.00721206
   0.91064156  0.60306438  0.37066542
   0.55930515  0.89412054  0.14489235
   0.81391246  0.84069109  0.25370843
   0.68265517  0.68627676  0.47915202
   0.85198197  0.63067522  0.90890259
   0.66187222  0.95475657  0.63453490
   0.86810318  0.85946157  0.76151704
   0.07913172  0.08063027  0.16834238
   0.34964705  0.21001569  0.29618499
   0.15033566  0.35214425  0.01537444
   0.40400749  0.45024539  0.34540069
   0.54174272  0.33409579  0.19746973
   0.29679962  0.40092323  0.16436525
   0.19644201  0.14030333  0.43305821
  -0.06320155  0.18838852  0.43063294
   0.05471902 -0.03557377  0.50886549
   0.45419830  0.23593468  0.78281997
   0.07602170  0.20335916  0.59829406
   0.38397953  0.46061768  0.84481951
   0.49579047  0.42673119  0.67076682
   0.23239580  0.35809749  0.70650793
   0.25350187  0.15898908 -0.11953801
   0.02442754  0.13074252  0.95517106
   0.11231999  0.59264432  0.09614859
   0.38568309  0.71138259  0.28344591
   0.12343316  0.84294483  0.05229648
   0.37032070  0.95130072  0.36556642
   0.40798889  0.93210413  0.17510607
   0.17462028  0.84674768  0.24115931
   0.32884983  0.65152092  0.45595460
   0.07645169  0.61808912  0.38788197
   0.17406367  0.44121653  0.52498982
   0.31178238  0.65707195  0.73732985
   0.10746608  0.69703236  0.56006855
   0.40105494  0.97682015  0.79336418
   0.50438067  0.90990913  0.64487040
   0.22705731  0.89834617  0.65803099
   0.26710025  0.66817012 -0.06717678
   0.00365220  0.68714090  0.93672022
   0.62187893  0.03344715  0.10474034
   0.85636801  0.20352788  0.24658958
   0.63101516  0.29384775  0.02560705
   0.84826100  0.45835549  0.38577410
   0.03802051  0.37944263  0.20120395
   0.78487736  0.42932242  0.15433763
   0.68419024  0.13270532  0.39012207
   0.45160750  0.15642114  0.47512810
   0.66773977  0.10801760  0.58123569
   0.85245644  0.21954474  0.81946195
   0.64563224  0.34121018  0.52402980
   0.85376410  0.47149568  0.87785981
   0.99816964  0.44510774  0.67073837
   0.76499408  0.38323502  0.69287928
   0.75533118  0.05257694  0.95653444
   0.49938105  0.11099687  0.93982240
   0.55897818  0.53568417  0.06751078
   0.85216178  0.68789120  0.27892603
   0.53666856  0.79295176  0.05122399
   0.86109600  0.95883663  0.33169462
   0.91151277  0.88417020  0.15818602
   0.64988305  0.83398305  0.23737716
   0.83865521  0.70368644  0.45762251
   0.60326665  0.60271001  0.39030298
   0.66520816  0.58660352  0.57226634
   0.82649049  0.71540405  0.81052855
   0.58028403  0.81286978  0.48117806
   0.96356841  0.95878523  0.83124025
   0.95823189  0.84803214  0.66118964
   0.72461340  0.95857844  0.74279031
   0.74708549  0.67500400  0.98938118
   0.51685683  0.66590200  0.88111593
   0.74641380  0.84073611  0.59204184
   0.53296980  0.81777669  0.52613620
   0.91988696  0.24555189  0.07169159
   0.85047172  0.36124598  0.36734427
   0.33354099  0.11393590  0.62818709
   0.29433816  0.77323506  0.72546878
   0.15884275  1.11210221  0.19402911
   0.25246273  1.11247168  0.05419930
   0.62162896  0.34519340  0.84702142
   0.89762985  0.42037827  0.65716732
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951012    0.097574   -0.159984
    -0.000000    9.827183    0.053894
    -0.000000    0.000000   13.885039
   Si   O    H 
    32    64    10
Direct configuration=  2706
   0.17598442  0.18707028 -0.01989134
   0.34924429  0.12442709  0.39122777
   0.14869887  0.43186733  0.12008414
   0.40131896  0.35463930  0.25183877
   0.06337286  0.12626239  0.49198501
   0.39744856  0.11526915  0.85268897
   0.12414949  0.36461772  0.61555221
   0.38280348  0.37555597  0.74929997
   0.13090533  0.70410775  0.00844761
   0.44017977  0.61174077  0.37550686
   0.07959427  0.90813362  0.15486365
   0.33201991  0.86311235  0.26695478
   0.17427819  0.60529992  0.48076118
   0.36102665  0.62359335  0.84758100
   0.09107004  0.85787600  0.58986476
   0.36385520  0.99160886  0.67918294
   0.63672494  0.12755260  1.00394149
   0.83440682  0.11826437  0.34733579
   0.62741875  0.40212388  0.11185052
   0.90362911  0.30503483  0.16454928
   0.61416121  0.18822070  0.48919151
   0.90196081  0.08671600  0.89050250
   0.64087810  0.43900602  0.62021399
   0.76456380  0.35696940  0.81539571
   0.58224317  0.66702359 -0.00728989
   0.91168046  0.60416599  0.37100588
   0.55876676  0.89451038  0.14346925
   0.81370436  0.84004156  0.25361225
   0.68264733  0.68659717  0.47882990
   0.85053586  0.62948566  0.91002330
   0.66304221  0.95466888  0.63404854
   0.86745449  0.85967812  0.76115223
   0.07831798  0.07868127  0.16937127
   0.34916361  0.21109404  0.29536332
   0.15051781  0.35087181  0.01360865
   0.40348977  0.44963551  0.34431809
   0.54022276  0.33276865  0.19717385
   0.29731207  0.40232346  0.16642198
   0.19677910  0.13942206  0.43206806
  -0.06118726  0.18876706  0.43036925
   0.05426931 -0.03470104  0.50793935
   0.45365011  0.23422194  0.78365755
   0.07669794  0.20400923  0.59755161
   0.38312495  0.45946097  0.84528095
   0.49535640  0.42815665  0.67037878
   0.23343007  0.35713799  0.70544520
   0.25436042  0.15901254 -0.11971286
   0.02439509  0.13013180  0.95544960
   0.11186525  0.59209411  0.09708631
   0.38672083  0.71151549  0.28304675
   0.12421517  0.84375663  0.05279959
   0.37003610  0.95190872  0.36550190
   0.40689656  0.93250331  0.17553143
   0.17474051  0.84664006  0.24134183
   0.32695042  0.65112697  0.45659828
   0.07827242  0.61951072  0.38837302
   0.17155203  0.44311230  0.52515780
   0.31042803  0.65572413  0.73593651
   0.10832580  0.69831434  0.55916747
   0.40155429  0.97583289  0.79360078
   0.50321593  0.91044751  0.64485282
   0.22951893  0.89782914  0.65777651
   0.26784616  0.66592550 -0.06737790
   0.00369697  0.68717606  0.93678303
   0.62168491  0.03395073  0.10501151
   0.85652213  0.20432715  0.24706588
   0.63091046  0.29560752  0.02463016
   0.84892712  0.45970194  0.38504274
   0.03796280  0.37842338  0.20035005
   0.78522403  0.42848231  0.15452416
   0.68441234  0.13312600  0.39017180
   0.45212270  0.15721892  0.47452128
   0.67041756  0.10930528  0.58015831
   0.85214779  0.21664284  0.81863258
   0.64673958  0.33851751  0.52358311
   0.85220002  0.47306848  0.87702785
   0.99870796  0.44487998  0.67037364
   0.76545514  0.38260105  0.69420543
   0.75542681  0.05155589  0.95622115
   0.49599820  0.11096171  0.93890230
   0.55975785  0.53827482  0.06723993
   0.85312227  0.68805906  0.27708095
   0.53707687  0.79458777  0.05086174
   0.86083837  0.95885786  0.33077646
   0.91120902  0.88417367  0.15976399
   0.64963546  0.83353291  0.23589621
   0.83943880  0.70248306  0.45652474
   0.60252177  0.60168252  0.39014951
   0.66436327  0.58689321  0.57132294
   0.82571576  0.71710922  0.80948215
   0.58105295  0.81179290  0.47975613
   0.96468941  0.95873244  0.83200378
   0.95916626  0.84889374  0.66185767
   0.72480067  0.95780062  0.74244687
   0.74781260  0.67546505  0.98967838
   0.51742535  0.66524831  0.88158419
   0.74646333  0.84284457  0.58657960
   0.51430317  0.81803521  0.55034314
   0.92708681  0.24557102  0.07269761
   0.85774592  0.36487394  0.36564860
   0.32974567  0.11370841  0.63239495
   0.29498722  0.77275441  0.73414547
   0.16896817  1.12186278  0.19202500
   0.25355475  1.11583801  0.05572515
   0.61674026  0.34265497  0.84868638
   0.89266077  0.42567331  0.65680693
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951028    0.096223   -0.164648
    -0.000000    9.829230    0.054689
    -0.000000    0.000000   13.883281
   Si   O    H 
    32    64    10
Direct configuration=  2707
   0.17554017  0.18714079 -0.01997784
   0.35063067  0.12458223  0.39054090
   0.14872096  0.43144144  0.11988511
   0.40209580  0.35414949  0.25263734
   0.06442352  0.12594628  0.49354175
   0.39682025  0.11533763  0.85241429
   0.12355246  0.36468457  0.61615529
   0.38215259  0.37635011  0.74822218
   0.13038443  0.70576586  0.00831094
   0.43931655  0.61132464  0.37632525
   0.07902854  0.90764339  0.15579641
   0.33159624  0.86256108  0.26787309
   0.17475258  0.60590585  0.47987710
   0.36197463  0.62360500  0.84725867
   0.09187334  0.85700286  0.59035737
   0.36314016  0.99033338  0.67830975
   0.63517543  0.12744947  1.00358232
   0.83440439  0.11769669  0.34692776
   0.62888081  0.40282816  0.11244434
   0.90330064  0.30521720  0.16407069
   0.61299001  0.18890356  0.48920977
   0.90168479  0.08688843  0.89075558
   0.63991452  0.44042811  0.61991432
   0.76594439  0.35596528  0.81585132
   0.58249561  0.66849811 -0.00750166
   0.91250622  0.60483874  0.37135921
   0.55750288  0.89556069  0.14217846
   0.81269872  0.83893926  0.25379473
   0.68221040  0.68614451  0.47872921
   0.84991833  0.62841388  0.91102971
   0.66412790  0.95448349  0.63317887
   0.86730459  0.86011462  0.76072089
   0.07912965  0.07694969  0.17003716
   0.34880287  0.21257591  0.29481404
   0.15086910  0.34935363  0.01183659
   0.40341326  0.45003166  0.34368892
   0.53897327  0.33150004  0.19658507
   0.29685486  0.40342797  0.16760865
   0.19735550  0.13931911  0.43130925
  -0.06045632  0.18912708  0.43047505
   0.05383867 -0.03418494  0.50655713
   0.45322734  0.23152916  0.78446240
   0.07681938  0.20445204  0.59655401
   0.38233768  0.45832059  0.84569047
   0.49514510  0.43005487  0.67015939
   0.23463349  0.35604762  0.70397760
   0.25447204  0.15920277 -0.11928464
   0.02466439  0.12922336  0.95597437
   0.11039966  0.59145636  0.09776258
   0.38770182  0.71118423  0.28304863
   0.12480142  0.84584840  0.05406165
   0.37014740  0.95281641  0.36540863
   0.40671503  0.93364704  0.17644800
   0.17507111  0.84751641  0.24173128
   0.32541418  0.65031913  0.45803314
   0.08003577  0.62138567  0.38883927
   0.16920209  0.44561880  0.52436323
   0.30965705  0.65525815  0.73462127
   0.10889786  0.70013271  0.55819176
   0.40185722  0.97480296  0.79382348
   0.50186503  0.91085224  0.64497183
   0.23060328  0.89705250  0.65766282
   0.26842236  0.66425608 -0.06725281
   0.00326979  0.68660418  0.93726131
   0.62166177  0.03444612  0.10570923
   0.85697695  0.20525606  0.24802137
   0.63046952  0.29703714  0.02378831
   0.84911733  0.46050146  0.38414246
   0.03847064  0.37721069  0.19979341
   0.78439944  0.42771710  0.15500513
   0.68427526  0.13390253  0.39009236
   0.45334006  0.15900818  0.47378277
   0.67380844  0.10993825  0.57980303
   0.85195690  0.21393232  0.81776327
   0.64786235  0.33699642  0.52336897
   0.85020437  0.47407308  0.87612232
   0.99944091  0.44412689  0.66977594
   0.76538588  0.38274264  0.69559262
   0.75609418  0.05027543  0.95517351
   0.49334208  0.11063053  0.93914893
   0.56031809  0.54183088  0.06673649
   0.85458032  0.68747690  0.27552479
   0.53716422  0.79632285  0.05021194
   0.86039564  0.95886648  0.32961494
   0.91109210  0.88498366  0.16126550
   0.64937828  0.83325795  0.23424879
   0.84008230  0.70144605  0.45526745
   0.60221311  0.60065891  0.39068633
   0.66329214  0.58663947  0.57097787
   0.82444885  0.71849260  0.80786006
   0.58126297  0.81204418  0.47936550
   0.96496065  0.95841458  0.83294122
   0.95953518  0.84977692  0.66230455
   0.72480481  0.95732373  0.74281413
   0.74808611  0.67535220  0.98994498
   0.51700404  0.66443644  0.88284545
   0.74540062  0.85065934  0.58395884
   0.50511877  0.81557438  0.56282867
   0.93063002  0.24260406  0.07210687
   0.86470382  0.36957357  0.36382841
   0.32716268  0.12008066  0.63340529
   0.29984096  0.75448247  0.73970079
   0.16945857  1.12821085  0.18919797
   0.25348993  1.11634954  0.05811865
   0.62196317  0.34209926  0.85030669
   0.89862661  0.42996848  0.65975352
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950404    0.094941   -0.169426
    -0.000000    9.830874    0.055950
    -0.000000    0.000000   13.881603
   Si   O    H 
    32    64    10
Direct configuration=  2708
   0.17439684  0.18755914 -0.02015056
   0.35169728  0.12430837  0.38975539
   0.14897467  0.43069911  0.11970460
   0.40313512  0.35435834  0.25285843
   0.06534476  0.12630349  0.49506055
   0.39605794  0.11489189  0.85206985
   0.12257227  0.36533640  0.61699765
   0.38151591  0.37681839  0.74734617
   0.12958904  0.70665317  0.00812820
   0.43910958  0.61078388  0.37711940
   0.07848718  0.90745512  0.15703846
   0.33153634  0.86293530  0.26879292
   0.17489219  0.60608101  0.47954194
   0.36295569  0.62368065  0.84689936
   0.09225569  0.85653964  0.59047164
   0.36238007  0.98886578  0.67755758
   0.63346220  0.12758939  1.00363412
   0.83483601  0.11744392  0.34644622
   0.62933788  0.40318526  0.11279069
   0.90196721  0.30478233  0.16353506
   0.61217009  0.18941113  0.48925136
   0.90112706  0.08697666  0.89128364
   0.63889510  0.44170275  0.61991681
   0.76702057  0.35516565  0.81617107
   0.58316172  0.66945773 -0.00802300
   0.91362978  0.60571223  0.37210089
   0.55613996  0.89694591  0.14126960
   0.81154336  0.83888367  0.25331367
   0.68150536  0.68540726  0.47850518
   0.84960308  0.62759986  0.91115105
   0.66497168  0.95440296  0.63251844
   0.86712734  0.86031735  0.76075015
   0.08081455  0.07568720  0.17060445
   0.34901559  0.21442493  0.29371908
   0.15116505  0.34800750  0.01082453
   0.40364273  0.45142462  0.34360463
   0.53835760  0.32974849  0.19584884
   0.29672345  0.40514062  0.16863179
   0.19886944  0.13929330  0.43022784
  -0.05966493  0.19003329  0.42992111
   0.05258968 -0.03453969  0.50582027
   0.45243947  0.22943204  0.78414425
   0.07711875  0.20519993  0.59516374
   0.38100988  0.45721148  0.84606674
   0.49480118  0.43190967  0.67019061
   0.23615450  0.35480593  0.70265393
   0.25364596  0.15923732 -0.11836852
   0.02464928  0.12807808  0.95664095
   0.10885536  0.59098887  0.09804511
   0.38923621  0.71068979  0.28366143
   0.12539955  0.84797502  0.05538888
   0.36934334  0.95423085  0.36532063
   0.40628551  0.93511842  0.17754216
   0.17557929  0.84884983  0.24287488
   0.32457779  0.64874506  0.45939741
   0.08116885  0.62239673  0.38911740
   0.16706952  0.44803081  0.52340714
   0.30939040  0.65557914  0.73394166
   0.11005535  0.70175877  0.55731226
   0.40218823  0.97409190  0.79411090
   0.50144372  0.91085131  0.64527423
   0.23145193  0.89580530  0.65717860
   0.26826011  0.66344173 -0.06653938
   0.00318368  0.68644132  0.93754908
   0.62208994  0.03594668  0.10679397
   0.85767029  0.20528158  0.24936498
   0.62991393  0.29763123  0.02298356
   0.84952871  0.46183303  0.38347405
   0.03910913  0.37608461  0.19931121
   0.78333903  0.42639667  0.15492932
   0.68368281  0.13428846  0.38961112
   0.45478797  0.16061622  0.47337967
   0.67661118  0.10869076  0.58014070
   0.85162109  0.21170834  0.81733622
   0.64861800  0.33617270  0.52337553
   0.84874789  0.47515442  0.87574647
   0.99938888  0.44396486  0.66903391
   0.76558345  0.38371986  0.69632575
   0.75747697  0.04939172  0.95436783
   0.49191328  0.11085049  0.93938148
   0.56120456  0.54490123  0.06669804
   0.85571757  0.68714229  0.27416426
   0.53705326  0.79838186  0.05033773
   0.86051493  0.95856068  0.32844366
   0.91176583  0.88534516  0.16317639
   0.64859944  0.83294378  0.23228252
   0.84062157  0.70049813  0.45372454
   0.60171460  0.59954659  0.39116666
   0.66190362  0.58523061  0.57100445
   0.82331818  0.71962360  0.80679206
   0.58038808  0.81232523  0.47955114
   0.96395390  0.95866102  0.83397570
   0.95982071  0.85129314  0.66269817
   0.72510524  0.95630942  0.74368058
   0.74840149  0.67435223  0.99013079
   0.51628324  0.66362382  0.88369613
   0.74506916  0.85950993  0.58363527
   0.50427766  0.81579567  0.56830093
   0.93386762  0.23597746  0.07262970
   0.87285825  0.37074455  0.36250531
   0.32349388  0.12461052  0.63509762
   0.30497265  0.73970204  0.73967048
   0.16037324  1.12388833  0.18352087
   0.25142434  1.11700069  0.05704063
   0.63193348  0.33806794  0.85192901
   0.90992226  0.43320577  0.66378902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949420    0.093934   -0.174092
    -0.000000    9.832664    0.057155
    -0.000000    0.000000   13.879596
   Si   O    H 
    32    64    10
Direct configuration=  2709
   0.17288745  0.18817411 -0.02055526
   0.35223719  0.12426865  0.38850665
   0.14925567  0.42997848  0.11929977
   0.40450546  0.35413769  0.25261753
   0.06630683  0.12761361  0.49610955
   0.39587608  0.11395694  0.85204308
   0.12161171  0.36571342  0.61787459
   0.38171900  0.37696291  0.74669265
   0.12886720  0.70734960  0.00751856
   0.43907520  0.61009172  0.37731442
   0.07804441  0.90744681  0.15878308
   0.33114839  0.86386450  0.26970846
   0.17427998  0.60631066  0.47933069
   0.36374410  0.62398638  0.84656085
   0.09228555  0.85602215  0.59099617
   0.36168602  0.98795101  0.67680406
   0.63123138  0.12729434  1.00455881
   0.83603307  0.11745320  0.34623390
   0.62917058  0.40347299  0.11314686
   0.90087741  0.30430243  0.16313434
   0.61130305  0.19019182  0.48928608
   0.90022240  0.08731177  0.89174872
   0.63774124  0.44210352  0.61992382
   0.76819125  0.35445895  0.81663929
   0.58450443  0.67031284 -0.00875638
   0.91461668  0.60700026  0.37257094
   0.55440064  0.89804804  0.14003503
   0.81062197  0.83940356  0.25243598
   0.68049754  0.68472870  0.47790124
   0.84983217  0.62738875  0.91087392
   0.66631466  0.95532608  0.63204084
   0.86696972  0.86099696  0.76051168
   0.08183240  0.07406258  0.17102314
   0.34918850  0.21599075  0.29296142
   0.15261404  0.34657149  0.01003124
   0.40378384  0.45245870  0.34405838
   0.53776144  0.32804024  0.19526420
   0.29615996  0.40649248  0.16927889
   0.20040461  0.13951781  0.42941827
  -0.05972620  0.19103252  0.42916678
   0.05258158 -0.03522441  0.50481535
   0.45194993  0.22858051  0.78313984
   0.07713630  0.20601575  0.59384488
   0.37967231  0.45655602  0.84624629
   0.49421817  0.43282431  0.67047630
   0.23736643  0.35346430  0.70124778
   0.25295125  0.15953493 -0.11775948
   0.02523913  0.12697411  0.95715547
   0.10813916  0.59075285  0.09827948
   0.39029378  0.71035278  0.28418313
   0.12601359  0.85020440  0.05680497
   0.36863727  0.95520115  0.36568273
   0.40522990  0.93606084  0.17880310
   0.17595176  0.84950573  0.24375725
   0.32474167  0.64680255  0.46030608
   0.08109675  0.62306211  0.38879578
   0.16492552  0.45078490  0.52320960
   0.30959890  0.65389082  0.73351120
   0.11101589  0.70332955  0.55686981
   0.40230574  0.97371250  0.79456368
   0.50210350  0.91105663  0.64573952
   0.23265233  0.89458671  0.65672086
   0.26765518  0.66208233 -0.06467068
   0.00249532  0.68534414  0.93758302
   0.62187456  0.03750647  0.10774579
   0.85799340  0.20479281  0.25080535
   0.63031579  0.29816769  0.02198153
   0.84994062  0.46294508  0.38305398
   0.04032713  0.37593090  0.19910999
   0.78265095  0.42493915  0.15459347
   0.68331290  0.13561654  0.38911016
   0.45622370  0.16290852  0.47310712
   0.67849533  0.10694362  0.58085547
   0.85098557  0.20955555  0.81716092
   0.64916251  0.33613724  0.52368216
   0.84715701  0.47518716  0.87528884
   1.00063290  0.44410935  0.66815370
   0.76436715  0.38452781  0.69692228
   0.75962553  0.04925266  0.95296624
   0.49178875  0.11154047  0.93963473
   0.56267394  0.54667360  0.06707126
   0.85701878  0.68681946  0.27271499
   0.53650286  0.80049147  0.05049430
   0.85970288  0.95793076  0.32755782
   0.91310198  0.88572782  0.16562425
   0.64725586  0.83245442  0.22996021
   0.84102861  0.69941390  0.45320972
   0.60108675  0.59816816  0.39184912
   0.66029451  0.58448015  0.57146553
   0.82284437  0.72007017  0.80557457
   0.58004717  0.81358560  0.48000742
   0.96193839  0.95894564  0.83487115
   0.95962359  0.85205710  0.66298400
   0.72581478  0.95510225  0.74454106
   0.74827262  0.67273689  0.98952933
   0.51605381  0.66314254  0.88427083
   0.74510170  0.86905545  0.58321276
   0.50684251  0.82114596  0.56720087
   0.93405767  0.23056011  0.07267594
   0.88253362  0.37291922  0.36399236
   0.31983432  0.12578766  0.63629495
   0.30391833  0.77180369  0.73837781
   0.15849768  1.12580867  0.17962038
   0.24960664  1.11966054  0.05509790
   0.63949590  0.33375898  0.85318773
   0.90545384  0.43530291  0.66424123
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948330    0.093022   -0.178435
    -0.000000    9.834262    0.058293
    -0.000000    0.000000   13.877564
   Si   O    H 
    32    64    10
Direct configuration=  2710
   0.17150547  0.18911997 -0.02100287
   0.35317776  0.12333651  0.38768281
   0.15002940  0.42964248  0.11839971
   0.40576997  0.35479343  0.25193945
   0.06739286  0.12826011  0.49636819
   0.39571356  0.11335609  0.85163487
   0.12064303  0.36649269  0.61922119
   0.38238261  0.37737772  0.74611654
   0.12831771  0.70743038  0.00671176
   0.43848421  0.60994080  0.37751396
   0.07750926  0.90815360  0.16091266
   0.33073248  0.86451854  0.26988951
   0.17377232  0.60683098  0.47953513
   0.36435362  0.62423691  0.84638855
   0.09200262  0.85549670  0.59161215
   0.36075728  0.98732542  0.67612359
   0.62969901  0.12680202  1.00516631
   0.83662692  0.11720077  0.34613286
   0.62870845  0.40400234  0.11330621
   0.89969443  0.30396147  0.16237328
   0.61087981  0.19002361  0.48933331
   0.89893952  0.08760440  0.89196885
   0.63595607  0.44296607  0.62048615
   0.76934539  0.35378814  0.81712745
   0.58563449  0.67119069 -0.00947235
   0.91541260  0.60822204  0.37280792
   0.55230567  0.89896312  0.13859081
   0.81087122  0.83982560  0.25139428
   0.67929681  0.68389067  0.47712115
   0.85086876  0.62719007  0.91024386
   0.66773281  0.95654242  0.63175470
   0.86700618  0.86180945  0.76015476
   0.08241021  0.07175492  0.17162364
   0.34948398  0.21748642  0.29288655
   0.15295832  0.34492609  0.00949248
   0.40388485  0.45406054  0.34454364
   0.53814450  0.32698920  0.19436696
   0.29542499  0.40788598  0.16970988
   0.20180049  0.13959458  0.42924063
  -0.05961398  0.19117068  0.42860421
   0.05298629 -0.03665149  0.50391717
   0.45181644  0.22838943  0.78198827
   0.07740346  0.20630272  0.59306162
   0.37846841  0.45703400  0.84658868
   0.49300528  0.43318941  0.67080183
   0.23870322  0.35148498  0.70011067
   0.25161045  0.15974949 -0.11688408
   0.02569626  0.12499270  0.95785215
   0.10816294  0.59045481  0.09843434
   0.39165705  0.70986162  0.28511021
   0.12653519  0.85276179  0.05832880
   0.36837848  0.95552546  0.36578289
   0.40449062  0.93696333  0.18033711
   0.17539831  0.85025766  0.24429685
   0.32506188  0.64460696  0.46118950
   0.08081832  0.62321270  0.38894330
   0.16314607  0.45333791  0.52296441
   0.30964070  0.65316820  0.73392083
   0.11198604  0.70490444  0.55651856
   0.40239452  0.97358734  0.79458032
   0.50334967  0.91116839  0.64603097
   0.23297634  0.89293176  0.65611923
   0.26617205  0.66152779 -0.06251284
   0.00172437  0.68527475  0.93762590
   0.62194677  0.03941137  0.10873995
   0.85794718  0.20372233  0.25157846
   0.63136657  0.29827342  0.02119865
   0.85100162  0.46332731  0.38266397
   0.04118143  0.37562551  0.19862888
   0.78261449  0.42401644  0.15364859
   0.68347786  0.13673502  0.38917383
   0.45684648  0.16601554  0.47316186
   0.67981495  0.10444454  0.58151654
   0.85071313  0.20746891  0.81705726
   0.64975561  0.33622297  0.52450322
   0.84619305  0.47465660  0.87486185
   1.00188634  0.44487529  0.66777376
   0.76232687  0.38542330  0.69771047
   0.76170614  0.04958732  0.95111545
   0.49241234  0.11218799  0.94059690
   0.56330157  0.54767805  0.06776566
   0.85847789  0.68632095  0.27143681
   0.53594463  0.80202886  0.05039597
   0.85943317  0.95788419  0.32694119
   0.91489162  0.88573958  0.16817681
   0.64527975  0.83244420  0.22772398
   0.84142267  0.69899601  0.45311819
   0.60016117  0.59639311  0.39255748
   0.65914807  0.58418832  0.57227976
   0.82264040  0.72040005  0.80534792
   0.57919466  0.81513342  0.48068371
   0.95956905  0.95885601  0.83543581
   0.95950706  0.85270088  0.66346700
   0.72660649  0.95346443  0.74513522
   0.74753628  0.67186940  0.98959965
   0.51521711  0.66376220  0.88467185
   0.74912349  0.87229143  0.57817765
   0.51632379  0.82687095  0.56187090
   0.93186706  0.22367255  0.07624678
   0.89284525  0.37897626  0.36467262
   0.31862282  0.12367672  0.63864852
   0.30064887  0.78357789  0.73484688
   0.16538544  1.13068967  0.17754374
   0.25067284  1.12176793  0.05421135
   0.64093511  0.33031197  0.85503197
   0.89405188  0.43488475  0.66542877
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947185    0.092219   -0.182122
    -0.000000    9.836070    0.058713
    -0.000000    0.000000   13.875227
   Si   O    H 
    32    64    10
Direct configuration=  2711
   0.17062110  0.18969560 -0.02115149
   0.35373933  0.12152422  0.38717804
   0.15056974  0.42952592  0.11772954
   0.40633406  0.35509538  0.25168525
   0.06847985  0.12888207  0.49573999
   0.39496452  0.11278582  0.85098327
   0.11936276  0.36669235  0.62079049
   0.38292657  0.37699170  0.74544877
   0.12796787  0.70700991  0.00580914
   0.43754058  0.60964061  0.37782249
   0.07640788  0.90938456  0.16292551
   0.33045357  0.86460020  0.27015905
   0.17369155  0.60732959  0.47997411
   0.36452175  0.62521845  0.84651822
   0.09215884  0.85471010  0.59225085
   0.36020897  0.98667474  0.67572648
   0.62859834  0.12620165  1.00549525
   0.83701339  0.11714624  0.34628324
   0.62802960  0.40443445  0.11351847
   0.89785434  0.30303192  0.16153817
   0.61118473  0.18932230  0.48901167
   0.89774682  0.08806588  0.89211785
   0.63433374  0.44306241  0.62112191
   0.77025100  0.35274150  0.81758267
   0.58676065  0.67152472 -0.01021233
   0.91610489  0.60960199  0.37268162
   0.55045994  0.89974785  0.13816417
   0.81127588  0.84046125  0.25016332
   0.67816536  0.68283302  0.47640738
   0.85239127  0.62800251  0.90959195
   0.66883387  0.95796966  0.63173271
   0.86776924  0.86295518  0.75988052
   0.08398529  0.07042811  0.17191295
   0.34865212  0.21865004  0.29333516
   0.15296838  0.34376608  0.00924656
   0.40335074  0.45510865  0.34516908
   0.53909664  0.32607549  0.19371820
   0.29539307  0.40886451  0.17088822
   0.20260468  0.13960867  0.42921923
  -0.05881966  0.19061865  0.42791188
   0.05285149 -0.03825994  0.50361151
   0.45161125  0.22871518  0.77996319
   0.07719637  0.20619662  0.59261457
   0.37729499  0.45756288  0.84736028
   0.49160094  0.43316443  0.67107415
   0.23952815  0.34980782  0.69904673
   0.24953820  0.16069629 -0.11607749
   0.02611564  0.12353692  0.95818288
   0.10857331  0.59032041  0.09845741
   0.39327401  0.70944098  0.28655525
   0.12821477  0.85477272  0.05931226
   0.36816215  0.95646336  0.36573032
   0.40460629  0.93827297  0.18170648
   0.17504706  0.85028564  0.24508613
   0.32563223  0.64279160  0.46184358
   0.07931944  0.62279555  0.38866628
   0.16174262  0.45487735  0.52279324
   0.30952807  0.65372254  0.73534725
   0.11252985  0.70643890  0.55649586
   0.40178703  0.97290492  0.79406578
   0.50446644  0.91079996  0.64568827
   0.23267221  0.89078762  0.65574170
   0.26381422  0.66120915 -0.06049606
   0.00002423  0.68457191  0.93771778
   0.62255479  0.04284233  0.10937097
   0.85732387  0.20369416  0.25169864
   0.63158684  0.29734073  0.02073575
   0.85124825  0.46330414  0.38230034
   0.04189526  0.37520649  0.19799623
   0.78143474  0.42306450  0.15299245
   0.68366390  0.13820984  0.38946137
   0.45719367  0.16960654  0.47320699
   0.68078081  0.10186768  0.58141852
   0.85067766  0.20597489  0.81683579
   0.64934434  0.33782399  0.52515328
   0.84543257  0.47352202  0.87498749
   1.00270345  0.44597712  0.66830982
   0.75910295  0.38698029  0.69879093
   0.76420770  0.05038163  0.94980483
   0.49204110  0.11274057  0.94190551
   0.56351681  0.54855030  0.06845495
   0.85919927  0.68621165  0.27067498
   0.53496327  0.80349722  0.05052300
   0.85958811  0.95687333  0.32729836
   0.91702125  0.88567547  0.16978166
   0.64281037  0.83238008  0.22591998
   0.84164880  0.69844900  0.45355239
   0.59918184  0.59404745  0.39309602
   0.65823831  0.58426186  0.57307556
   0.82304221  0.71960519  0.80577930
   0.57717280  0.81630763  0.48105377
   0.95723910  0.95896674  0.83626210
   0.95956824  0.85243922  0.66389390
   0.72697962  0.95198261  0.74445488
   0.74625404  0.67083420  0.99006728
   0.51382548  0.66528580  0.88515159
   0.76007096  0.86991357  0.57147781
   0.52625295  0.82990240  0.55126369
   0.92607408  0.21962473  0.07850973
   0.90087772  0.38214041  0.36720632
   0.32257071  0.11692967  0.64016183
   0.29701690  0.77850383  0.72931133
   0.16812809  1.12853953  0.17714797
   0.25589050  1.12275535  0.05847674
   0.63706465  0.32728410  0.85758232
   0.88923430  0.43137197  0.66607081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945990    0.091486   -0.185390
    -0.000000    9.838273    0.058821
    -0.000000    0.000000   13.872859
   Si   O    H 
    32    64    10
Direct configuration=  2712
   0.16992916  0.18977954 -0.02066067
   0.35376307  0.12005175  0.38679464
   0.15102028  0.42925471  0.11715194
   0.40610201  0.35550511  0.25117582
   0.06957625  0.12945828  0.49477297
   0.39426321  0.11296247  0.85016645
   0.11862490  0.36724156  0.62212082
   0.38302870  0.37664849  0.74502003
   0.12777004  0.70581890  0.00493886
   0.43647865  0.60957545  0.37786901
   0.07513569  0.91025171  0.16456108
   0.33020337  0.86409090  0.27043579
   0.17314181  0.60801896  0.48076523
   0.36488438  0.62612042  0.84621422
   0.09242630  0.85450311  0.59246748
   0.35981010  0.98668001  0.67582676
   0.62761547  0.12573010  1.00572322
   0.83776926  0.11719152  0.34646058
   0.62793936  0.40494478  0.11325049
   0.89618683  0.30252388  0.16125131
   0.61200558  0.18865162  0.48871594
   0.89658835  0.08868875  0.89196832
   0.63247724  0.44230141  0.62175384
   0.77121934  0.35165974  0.81803704
   0.58705121  0.67203139 -0.01115986
   0.91667599  0.61128710  0.37257862
   0.54899916  0.90081308  0.13792722
   0.81102393  0.84182869  0.24891936
   0.67746746  0.68174917  0.47550950
   0.85364397  0.62904874  0.90829545
   0.66979142  0.95913923  0.63212979
   0.86817893  0.86402620  0.75957243
   0.08579956  0.06953604  0.17240677
   0.34834926  0.21857419  0.29387963
   0.15257909  0.34328661  0.00941150
   0.40304212  0.45548007  0.34569582
   0.54020145  0.32536512  0.19295750
   0.29492351  0.40940933  0.17204913
   0.20312970  0.14022007  0.42915007
  -0.05803516  0.19065175  0.42677277
   0.05331559 -0.03939292  0.50343853
   0.45103665  0.22906095  0.77850416
   0.07757174  0.20662772  0.59265003
   0.37684499  0.45775143  0.84709649
   0.48999677  0.43365428  0.67140881
   0.24068058  0.34885456  0.69822706
   0.24905860  0.16216294 -0.11598890
   0.02756524  0.12222126  0.95815188
   0.10877022  0.58989630  0.09804319
   0.39448182  0.70973803  0.28819511
   0.12970375  0.85604469  0.06016179
   0.36857699  0.95757802  0.36532318
   0.40450252  0.93916877  0.18302598
   0.17479875  0.85050280  0.24601371
   0.32665366  0.64066097  0.46266741
   0.07701960  0.62222219  0.38776514
   0.16088454  0.45596315  0.52314498
   0.30957951  0.65571298  0.73672172
   0.11413832  0.70736171  0.55636939
   0.40105506  0.97235288  0.79357767
   0.50540023  0.91085169  0.64548245
   0.23222597  0.88896100  0.65489294
   0.26130059  0.66127603 -0.05926413
  -0.00037038  0.68368877  0.93804249
   0.62374370  0.04575428  0.10953102
   0.85635807  0.20426939  0.25096435
   0.63166642  0.29581028  0.02025609
   0.85155551  0.46399211  0.38256498
   0.04180140  0.37486340  0.19725833
   0.78117431  0.42203023  0.15234217
   0.68433280  0.13935372  0.38990458
   0.45664572  0.17312441  0.47358272
   0.68127684  0.09991094  0.58163708
   0.85151309  0.20518091  0.81615933
   0.64833363  0.33894127  0.52572837
   0.84501178  0.47259507  0.87523744
   1.00201427  0.44734149  0.66902027
   0.75502502  0.38827924  0.69915117
   0.76565132  0.05188892  0.94871247
   0.49177059  0.11263726  0.94352593
   0.56401729  0.54920118  0.06944691
   0.86034499  0.68579737  0.27065927
   0.53350778  0.80401107  0.04984059
   0.85925202  0.95568764  0.32832575
   0.91879281  0.88571171  0.17087706
   0.64098465  0.83171826  0.22361441
   0.84149520  0.69890840  0.45405718
   0.59798453  0.59228668  0.39332162
   0.65668604  0.58521600  0.57346598
   0.82303093  0.71916371  0.80552635
   0.57482473  0.81805915  0.48206743
   0.95484776  0.95856453  0.83667000
   0.95949610  0.85255918  0.66407152
   0.72716360  0.95056670  0.74424585
   0.74476383  0.66968952  0.99017497
   0.51356526  0.66610937  0.88587498
   0.77084802  0.86990188  0.56549721
   0.53784596  0.82895486  0.53267840
   0.92080056  0.21401923  0.07849868
   0.91011027  0.38148137  0.37044399
   0.32847465  0.11350893  0.63873991
   0.28874506  0.75535727  0.71933516
   0.16518992  1.12049563  0.17629090
   0.25878478  1.12489024  0.06058395
   0.63195704  0.32465209  0.85861126
   0.89611485  0.42877198  0.66808232
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.945105    0.090743   -0.188679
    -0.000000    9.840948    0.059391
    -0.000000    0.000000   13.870069
   Si   O    H 
    32    64    10
Direct configuration=  2713
   0.17005932  0.18931517 -0.01962940
   0.35312024  0.11925206  0.38642133
   0.15130934  0.42924408  0.11697617
   0.40591653  0.35657222  0.25093423
   0.07080644  0.12964530  0.49363949
   0.39385692  0.11361831  0.84981732
   0.11867005  0.36790644  0.62322989
   0.38269307  0.37633160  0.74487092
   0.12793486  0.70469689  0.00412519
   0.43527616  0.60910408  0.37818986
   0.07367714  0.91082983  0.16546287
   0.32959509  0.86345347  0.27076657
   0.17293193  0.60851683  0.48164663
   0.36489699  0.62708389  0.84607954
   0.09257095  0.85385403  0.59249869
   0.35962623  0.98634616  0.67640806
   0.62701178  0.12519086  1.00603036
   0.83815139  0.11751870  0.34659873
   0.62824024  0.40504739  0.11264887
   0.89444742  0.30173895  0.16136442
   0.61327605  0.18809596  0.48879064
   0.89559679  0.08920993  0.89180812
   0.63126330  0.44106686  0.62199534
   0.77220696  0.35086660  0.81838453
   0.58617912  0.67290992 -0.01189308
   0.91673908  0.61254717  0.37191349
   0.54739028  0.90197363  0.13808968
   0.81036284  0.84316299  0.24769552
   0.67694902  0.68033738  0.47495137
   0.85462603  0.63065688  0.90721655
   0.67138150  0.95997476  0.63224452
   0.86868886  0.86549125  0.75936751
   0.08778138  0.06962384  0.17297695
   0.34736896  0.21678591  0.29420788
   0.15226379  0.34305230  0.00996527
   0.40359207  0.45566204  0.34628027
   0.54083345  0.32475825  0.19208503
   0.29456204  0.41066189  0.17289767
   0.20389873  0.14026182  0.42879812
  -0.05747979  0.19007801  0.42533636
   0.05304745 -0.04012530  0.50313133
   0.45044686  0.22949240  0.77684579
   0.07840224  0.20780690  0.59323056
   0.37552770  0.45785210  0.84658982
   0.48907720  0.43409573  0.67142635
   0.24162584  0.34737123  0.69745273
   0.24858009  0.16267084 -0.11721784
   0.02821664  0.12079512  0.95831270
   0.10941347  0.59014554  0.09673144
   0.39545668  0.71002716  0.28974281
   0.13110090  0.85690405  0.06063481
   0.36901172  0.95885238  0.36477599
   0.40483927  0.93970695  0.18376899
   0.17402626  0.85105762  0.24598988
   0.32799982  0.63835615  0.46304811
   0.07498226  0.62158372  0.38635311
   0.16017335  0.45623345  0.52377098
   0.30996115  0.65769025  0.73748912
   0.11522369  0.70836977  0.55587936
   0.39924950  0.97112257  0.79359065
   0.50714969  0.91035087  0.64530981
   0.23242347  0.88715101  0.65420356
   0.25918899  0.66150578 -0.05847485
  -0.00178410  0.68303700  0.93788154
   0.62447094  0.04874331  0.10979982
   0.85522004  0.20496961  0.24989319
   0.63187488  0.29428417  0.02059048
   0.85190401  0.46311915  0.38323368
   0.04100553  0.37483203  0.19578892
   0.78047878  0.42070909  0.15192516
   0.68424682  0.14046225  0.38986989
   0.45527298  0.17542957  0.47413005
   0.68161446  0.09909922  0.58138189
   0.85189145  0.20614434  0.81553227
   0.64739228  0.34037754  0.52549403
   0.84415171  0.47151603  0.87553088
   0.99984987  0.44878758  0.66972939
   0.75100765  0.38933042  0.69892976
   0.76591111  0.05282808  0.94790522
   0.49154277  0.11236920  0.94528693
   0.56500254  0.54951671  0.07024505
   0.86108684  0.68561264  0.27067060
   0.53273245  0.80367704  0.04959722
   0.85837546  0.95483096  0.32995331
   0.92016169  0.88565755  0.17082410
   0.64011716  0.83069907  0.22163569
   0.84055822  0.69971151  0.45465418
   0.59708132  0.59184305  0.39395713
   0.65603030  0.58657886  0.57388143
   0.82336694  0.71884630  0.80550632
   0.57475689  0.81910372  0.48121763
   0.95255605  0.95786701  0.83694493
   0.95986878  0.85175480  0.66450496
   0.72652933  0.94896574  0.74391083
   0.74442662  0.66762057  0.98932358
   0.51250102  0.66784611  0.88637342
   0.77829355  0.87145022  0.56453810
   0.52303084  0.83330950  0.54465842
   0.91611018  0.21190395  0.07806017
   0.91262335  0.38811651  0.37351814
   0.33342860  0.11681800  0.63372051
   0.28108467  0.73048495  0.70933146
   0.16931243  1.11776244  0.17535131
   0.25875798  1.12863311  0.05903648
   0.63106161  0.32648174  0.86088017
   0.91214327  0.42493434  0.67191940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944076    0.090538   -0.191546
    -0.000000    9.843756    0.059307
    -0.000000    0.000000   13.867251
   Si   O    H 
    32    64    10
Direct configuration=  2714
   0.17023042  0.18937779 -0.01840600
   0.35209517  0.11816526  0.38605117
   0.15149409  0.42926381  0.11649815
   0.40474392  0.35813507  0.25069159
   0.07115894  0.12978171  0.49206311
   0.39348489  0.11445659  0.84940992
   0.11856736  0.36832465  0.62359272
   0.38277304  0.37601359  0.74474677
   0.12849806  0.70352454  0.00321166
   0.43333422  0.60844910  0.37834046
   0.07208560  0.91136117  0.16616379
   0.32911371  0.86226423  0.27136787
   0.17251547  0.60862021  0.48209257
   0.36411308  0.62729974  0.84587564
   0.09215772  0.85396886  0.59238393
   0.35975988  0.98583701  0.67665081
   0.62714505  0.12431957  1.00570709
   0.83863255  0.11756025  0.34656642
   0.62917904  0.40542096  0.11192339
   0.89299290  0.30133761  0.16154224
   0.61485972  0.18794461  0.48911428
   0.89453722  0.08952961  0.89148563
   0.63098767  0.44009955  0.62203469
   0.77283635  0.35014082  0.81878033
   0.58513373  0.67376314 -0.01171864
   0.91584804  0.61350453  0.37108049
   0.54615599  0.90346201  0.13843193
   0.80983745  0.84359345  0.24671943
   0.67630638  0.67882678  0.47450980
   0.85533320  0.63230122  0.90597900
   0.67254892  0.96068487  0.63254308
   0.86906578  0.86601712  0.75877320
   0.08891783  0.06977261  0.17318772
   0.34576537  0.21483101  0.29479854
   0.15162966  0.34365275  0.01124626
   0.40434265  0.45548187  0.34706572
   0.54197633  0.32466795  0.19128947
   0.29369419  0.41198698  0.17345979
   0.20501177  0.14014898  0.42853526
  -0.05700308  0.18885847  0.42428556
   0.05271720 -0.04048099  0.50295611
   0.45023737  0.22932510  0.77562027
   0.07929856  0.20980734  0.59390906
   0.37426034  0.45827550  0.84579023
   0.48792768  0.43539650  0.67116682
   0.24234940  0.34573268  0.69665926
   0.24814427  0.16335452 -0.11819114
   0.02873366  0.11990990  0.95871589
   0.10933019  0.59053824  0.09495339
   0.39635383  0.71054130  0.29199696
   0.13286426  0.85741020  0.06125718
   0.36942919  0.96052704  0.36433080
   0.40509039  0.94028989  0.18458772
   0.17298191  0.85169200  0.24619807
   0.32994880  0.63593640  0.46335555
   0.07330424  0.62093575  0.38500875
   0.15974092  0.45603353  0.52486571
   0.31206650  0.65769332  0.73885081
   0.11636485  0.70868806  0.55604123
   0.39735094  0.96981091  0.79322401
   0.50888950  0.91033896  0.64499751
   0.23252101  0.88550029  0.65309455
   0.25709746  0.66122582 -0.05829979
  -0.00291854  0.68238151  0.93774976
   0.62532844  0.05134667  0.10920585
   0.85332729  0.20471179  0.24877007
   0.63172424  0.29213492  0.02067832
   0.85198804  0.46257627  0.38354815
   0.03968735  0.37462362  0.19403040
   0.78007764  0.42014895  0.15156448
   0.68501204  0.14149168  0.38938525
   0.45359416  0.17673038  0.47480955
   0.68247383  0.09899483  0.58096816
   0.85310496  0.20750643  0.81472728
   0.64660695  0.34161632  0.52532468
   0.84353440  0.47109848  0.87552233
   0.99919957  0.45049512  0.67085607
   0.74756184  0.39062222  0.69902015
   0.76537282  0.05361760  0.94767667
   0.49092116  0.11192237  0.94678675
   0.56591183  0.54876956  0.07090528
   0.86150999  0.68602430  0.27079330
   0.53199275  0.80348326  0.04899820
   0.85756117  0.95420105  0.33130185
   0.92138459  0.88589343  0.17033047
   0.63963767  0.82943408  0.21980550
   0.83926365  0.70029092  0.45518572
   0.59500342  0.59188426  0.39450716
   0.65528305  0.58806384  0.57410538
   0.82382767  0.71806908  0.80563001
   0.57490398  0.81964999  0.48141602
   0.95068263  0.95644943  0.83727617
   0.96017228  0.85121170  0.66522723
   0.72546543  0.94743254  0.74411824
   0.74484917  0.66598573  0.98854991
   0.51176684  0.66932639  0.88679307
   0.78085158  0.87683305  0.56827271
   0.50948599  0.83171893  0.55354857
   0.91137173  0.21363619  0.07873591
   0.91894893  0.39255754  0.37514360
   0.33691395  0.11992793  0.62636307
   0.26270404  0.73518060  0.69286527
   0.18202450  1.11744936  0.17600526
   0.25799716  1.13302083  0.05733490
   0.63276013  0.33268484  0.86280931
   0.91112582  0.41650637  0.67567995
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943407    0.090840   -0.193447
    -0.000000    9.846493    0.058193
    -0.000000    0.000000   13.864856
   Si   O    H 
    32    64    10
Direct configuration=  2715
   0.17005466  0.18928724 -0.01709913
   0.35064278  0.11770496  0.38568849
   0.15193445  0.42931896  0.11581277
   0.40377555  0.35906436  0.25030277
   0.07117652  0.12943695  0.49051640
   0.39332322  0.11585745  0.84903115
   0.11822084  0.36887009  0.62378519
   0.38265697  0.37588357  0.74454629
   0.12915555  0.70268781  0.00301210
   0.43130355  0.60788594  0.37834069
   0.07118762  0.91179841  0.16656166
   0.32938956  0.86108957  0.27226595
   0.17299088  0.60943200  0.48263700
   0.36267309  0.62730995  0.84582798
   0.09112933  0.85437516  0.59251702
   0.36024171  0.98494020  0.67697094
   0.62775327  0.12341623  1.00510433
   0.83932890  0.11754714  0.34638778
   0.62955205  0.40614306  0.11071799
   0.89193265  0.30144574  0.16197379
   0.61607828  0.18806692  0.48925428
   0.89443697  0.08977214  0.89099609
   0.63080439  0.43945622  0.62143748
   0.77358487  0.34920037  0.81912072
   0.58421178  0.67440246 -0.01132980
   0.91469696  0.61472813  0.37075733
   0.54521052  0.90543342  0.13849965
   0.80892346  0.84350036  0.24667612
   0.67563872  0.67764304  0.47473312
   0.85597253  0.63456466  0.90471309
   0.67384530  0.96108242  0.63276206
   0.87028456  0.86643422  0.75860096
   0.09112486  0.07060637  0.17342238
   0.34390067  0.21338263  0.29498943
   0.15073349  0.34517443  0.01239113
   0.40609671  0.45505180  0.34688802
   0.54267573  0.32467281  0.19075718
   0.29299362  0.41338399  0.17353329
   0.20584152  0.14039541  0.42823495
  -0.05634738  0.18812681  0.42312297
   0.05234984 -0.04064299  0.50285727
   0.45020235  0.22882286  0.77447408
   0.08078735  0.21226072  0.59450824
   0.37185104  0.45830248  0.84516909
   0.48624976  0.43714720  0.67092925
   0.24299787  0.34456542  0.69595085
   0.24770758  0.16383703 -0.11949537
   0.02910988  0.11809909  0.95941322
   0.11018269  0.59135657  0.09299969
   0.39664620  0.71043783  0.29431592
   0.13503744  0.85638457  0.06182328
   0.37064908  0.96078117  0.36424938
   0.40536160  0.94045611  0.18516315
   0.17171106  0.85240911  0.24671509
   0.33176524  0.63340977  0.46308633
   0.07208396  0.62009845  0.38426343
   0.15896757  0.45520813  0.52596981
   0.31371151  0.65796137  0.73983294
   0.11729200  0.70954853  0.55627118
   0.39537116  0.96819462  0.79240816
   0.51007806  0.91052249  0.64428766
   0.23303708  0.88448326  0.65242383
   0.25553637  0.66066174 -0.05875414
  -0.00302864  0.68195910  0.93720310
   0.62688808  0.05311156  0.10869612
   0.85129015  0.20438438  0.24791571
   0.63235986  0.29055387  0.02111918
   0.85185624  0.46201479  0.38428401
   0.03808118  0.37448319  0.19201814
   0.78048683  0.41868997  0.15139090
   0.68647961  0.14268325  0.38889009
   0.45295859  0.17732280  0.47546797
   0.68314600  0.09951128  0.57971795
   0.85441378  0.20881546  0.81401827
   0.64609248  0.34282266  0.52527419
   0.84349135  0.47179865  0.87593797
   0.99821570  0.45249863  0.67149631
   0.74455171  0.39112279  0.69980763
   0.76383398  0.05474254  0.94808432
   0.49006196  0.11186564  0.94804314
   0.56657812  0.54850343  0.07180359
   0.86188371  0.68686664  0.27075932
   0.53124386  0.80276549  0.04866254
   0.85573214  0.95339821  0.33210715
   0.92274253  0.88682610  0.16928023
   0.64027675  0.82948394  0.21835142
   0.83771579  0.70092173  0.45588546
   0.59326565  0.59218545  0.39384845
   0.65550291  0.58884321  0.57425374
   0.82459892  0.71829819  0.80581067
   0.57502278  0.81999108  0.48200050
   0.94815103  0.95548294  0.83764594
   0.96070536  0.85075026  0.66600588
   0.72446956  0.94687635  0.74412128
   0.74613497  0.66501013  0.98808397
   0.51087265  0.67020037  0.88714395
   0.77462352  0.88593040  0.57455165
   0.50593786  0.82902764  0.55617774
   0.90867375  0.21849374  0.07774286
   0.92506697  0.39441431  0.37439873
   0.33954623  0.12114034  0.61975861
   0.25091124  0.73427974  0.68561783
   0.18666740  1.11312513  0.17557795
   0.26058100  1.13215900  0.05790167
   0.63565896  0.33713236  0.86378327
   0.90294013  0.40261984  0.67949007
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.942792    0.091490   -0.195225
    -0.000000    9.849695    0.057079
    -0.000000    0.000000   13.863152
   Si   O    H 
    32    64    10
Direct configuration=  2716
   0.17037289  0.18961778 -0.01561489
   0.34906970  0.11759877  0.38579971
   0.15266977  0.42997497  0.11576881
   0.40212049  0.35984489  0.25006849
   0.07117846  0.12892088  0.48891437
   0.39285136  0.11739402  0.84863493
   0.11758934  0.36966499  0.62404561
   0.38219977  0.37554222  0.74423044
   0.12939268  0.70150498  0.00349893
   0.42990786  0.60732849  0.37823892
   0.07077236  0.91230712  0.16644013
   0.32951333  0.85969595  0.27338745
   0.17326632  0.60925947  0.48238445
   0.36053913  0.62722938  0.84614018
   0.08919852  0.85515099  0.59268425
   0.36151583  0.98423747  0.67740842
   0.62913386  0.12269165  1.00445070
   0.83946698  0.11740019  0.34654146
   0.62965524  0.40620808  0.10928473
   0.89096143  0.30127037  0.16237185
   0.61729695  0.18838945  0.48923533
   0.89431533  0.08945003  0.89044612
   0.63050043  0.43876117  0.62107393
   0.77386832  0.34908147  0.81897356
   0.58369214  0.67429121 -0.01074155
   0.91321296  0.61575023  0.37094417
   0.54456228  0.90759357  0.13827606
   0.80783581  0.84352867  0.24621982
   0.67474162  0.67687218  0.47515941
   0.85608975  0.63627394  0.90342599
   0.67507221  0.96084089  0.63294274
   0.87123338  0.86702512  0.75900134
   0.09402742  0.07252734  0.17409873
   0.34089352  0.21274083  0.29479788
   0.15017399  0.34692808  0.01352395
   0.40802146  0.45439141  0.34563536
   0.54339956  0.32462045  0.19073776
   0.29278312  0.41412027  0.17321334
   0.20634133  0.14089260  0.42835608
  -0.05593247  0.18796956  0.42243262
   0.05290751 -0.04075901  0.50288740
   0.45006002  0.22833228  0.77387267
   0.08215906  0.21438043  0.59518234
   0.36970518  0.45899256  0.84437916
   0.48443139  0.43901023  0.67045261
   0.24404230  0.34363409  0.69508064
   0.24743827  0.16480697 -0.12051282
   0.02819750  0.11693411  0.96010579
   0.11130392  0.59183021  0.09137976
   0.39629979  0.71020285  0.29605431
   0.13757272  0.85508817  0.06168105
   0.37131501  0.96132083  0.36378003
   0.40558080  0.94066455  0.18514764
   0.17094635  0.85206277  0.24717047
   0.33316625  0.63169781  0.46212392
   0.07183901  0.61976305  0.38346383
   0.15804915  0.45420711  0.52702854
   0.31425421  0.65856055  0.74020650
   0.11754033  0.71017595  0.55693814
   0.39349113  0.96690084  0.79142027
   0.51067453  0.91035073  0.64362438
   0.23373895  0.88406465  0.65150208
   0.25460427  0.66033144 -0.05956599
  -0.00271402  0.68234808  0.93729066
   0.62788070  0.05374127  0.10871778
   0.84990373  0.20383456  0.24695352
   0.63412884  0.28961715  0.02156074
   0.85151515  0.46101539  0.38458675
   0.03727174  0.37399541  0.19054613
   0.78093896  0.41738564  0.15100322
   0.68792434  0.14315625  0.38896325
   0.45296083  0.17758381  0.47555981
   0.68369558  0.10067298  0.57825434
   0.85560077  0.21044839  0.81310374
   0.64519463  0.34472405  0.52552780
   0.84372522  0.47271331  0.87664671
   0.99599470  0.45317818  0.67210029
   0.74250357  0.39149562  0.70038987
   0.76197114  0.05634931  0.94872324
   0.48764639  0.11078958  0.94912427
   0.56670515  0.54872480  0.07290699
   0.86202540  0.68682000  0.27145214
   0.53074279  0.80229136  0.04813671
   0.85426436  0.95182266  0.33290664
   0.92420945  0.88675752  0.16821055
   0.64167481  0.82938820  0.21696579
   0.83595551  0.70129901  0.45623053
   0.59147894  0.59201232  0.39321676
   0.65528810  0.58921275  0.57493012
   0.82499841  0.71816770  0.80583800
   0.57500302  0.82087160  0.48264971
   0.94613839  0.95411211  0.83807026
   0.96213884  0.85049601  0.66686923
   0.72391110  0.94603031  0.74364431
   0.74811619  0.66448244  0.98712118
   0.50996281  0.67160916  0.88695548
   0.76524314  0.89312942  0.58038306
   0.50675749  0.82687911  0.55476164
   0.90691798  0.22537818  0.07553031
   0.92417097  0.39707425  0.37481523
   0.33765969  0.11575746  0.61652608
   0.24983477  0.72973257  0.68791276
   0.18278352  1.10238339  0.17763987
   0.26507187  1.12981441  0.05765702
   0.64119898  0.33967695  0.86449843
   0.90180669  0.39570315  0.68013310
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941904    0.091760   -0.196852
    -0.000000    9.852989    0.056301
    -0.000000    0.000000   13.861739
   Si   O    H 
    32    64    10
Direct configuration=  2717
   0.17066166  0.19025957 -0.01451252
   0.34794099  0.11774182  0.38622558
   0.15284941  0.43053169  0.11555778
   0.40066768  0.35990818  0.25008740
   0.07095095  0.12868857  0.48749476
   0.39260190  0.11865608  0.84837908
   0.11665084  0.37035961  0.62417585
   0.38190139  0.37552742  0.74428321
   0.12931347  0.70009614  0.00390493
   0.42924166  0.60624496  0.37821843
   0.07085568  0.91307527  0.16627886
   0.32975959  0.85852697  0.27445887
   0.17383601  0.60843508  0.48225752
   0.35852186  0.62769602  0.84678440
   0.08722140  0.85653982  0.59324913
   0.36286891  0.98352439  0.67774973
   0.63037359  0.12225484  1.00383273
   0.83980781  0.11756993  0.34652589
   0.62936179  0.40633737  0.10769664
   0.89047071  0.30074538  0.16285716
   0.61784920  0.18865697  0.48922914
   0.89430535  0.08934552  0.88993502
   0.63023715  0.43830041  0.62073911
   0.77413380  0.34879590  0.81870013
   0.58345024  0.67456182 -0.01015781
   0.91128922  0.61619649  0.37141133
   0.54403149  0.90968784  0.13746921
   0.80677789  0.84341763  0.24567681
   0.67365720  0.67720541  0.47584498
   0.85590723  0.63835550  0.90257995
   0.67563033  0.96017039  0.63291976
   0.87144879  0.86701749  0.75971524
   0.09642826  0.07372668  0.17461806
   0.33865924  0.21151894  0.29429755
   0.14928081  0.34936651  0.01488329
   0.41008656  0.45372577  0.34389102
   0.54305710  0.32529208  0.19142371
   0.29245773  0.41508383  0.17235387
   0.20628363  0.14089865  0.42938373
  -0.05509385  0.18787885  0.42202100
   0.05326370 -0.04104710  0.50297309
   0.45006888  0.22751524  0.77281265
   0.08279933  0.21611022  0.59507791
   0.36751493  0.46012786  0.84383111
   0.48285576  0.44079575  0.67024664
   0.24488880  0.34325145  0.69427521
   0.24669253  0.16547827 -0.12135400
   0.02735001  0.11553246  0.96087225
   0.11253944  0.59221053  0.09010244
   0.39575660  0.71161232  0.29666866
   0.14012518  0.85333115  0.06132007
   0.37203003  0.96187502  0.36370006
   0.40502967  0.93980466  0.18528430
   0.17084562  0.85052008  0.24778839
   0.33366429  0.63052397  0.46152709
   0.07233291  0.61932448  0.38224557
   0.15817943  0.45398460  0.52807387
   0.31413219  0.65884716  0.74000695
   0.11727176  0.71097442  0.55751019
   0.39133968  0.96713374  0.79055860
   0.51078023  0.91056813  0.64289412
   0.23387865  0.88345287  0.65055482
   0.25411326  0.66043325 -0.06023133
  -0.00234319  0.68240093  0.93772116
   0.62881092  0.05422933  0.10926481
   0.84874654  0.20348713  0.24662816
   0.63549817  0.28922010  0.02180408
   0.85153109  0.46058678  0.38531183
   0.03635859  0.37374581  0.18912928
   0.78110626  0.41716449  0.15123704
   0.68829215  0.14333637  0.38912483
   0.45303123  0.17758088  0.47554526
   0.68458974  0.10291592  0.57693442
   0.85633100  0.21180776  0.81226412
   0.64443315  0.34652515  0.52505757
   0.84456102  0.47320830  0.87690858
   0.99320685  0.45325800  0.67258295
   0.73973667  0.39133658  0.70080158
   0.75968713  0.05824847  0.94907056
   0.48566344  0.10996219  0.94916836
   0.56616429  0.54878178  0.07397428
   0.86261361  0.68679715  0.27248064
   0.53031672  0.80207718  0.04706945
   0.85233926  0.95090839  0.33319994
   0.92430439  0.88662890  0.16710883
   0.64392713  0.83025852  0.21583593
   0.83424687  0.70209676  0.45685442
   0.59059435  0.59229729  0.39283384
   0.65465584  0.58954101  0.57569846
   0.82526755  0.71884285  0.80561609
   0.57490549  0.82096020  0.48358261
   0.94432968  0.95305984  0.83830968
   0.96284102  0.85051776  0.66737594
   0.72336222  0.94510843  0.74255039
   0.75026511  0.66418674  0.98580172
   0.50898311  0.67297354  0.88683935
   0.76486765  0.89288250  0.58201960
   0.52110816  0.82118756  0.54829551
   0.90644796  0.22663233  0.07082637
   0.92829300  0.39901739  0.37584833
   0.33329937  0.10558952  0.61918720
   0.26155253  0.72505685  0.69834560
   0.19085145  1.09562740  0.17957865
   0.26933064  1.13071762  0.05774089
   0.64790222  0.33924661  0.86491445
   0.91143168  0.39675363  0.67958316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941293    0.091913   -0.198107
    -0.000000    9.855569    0.055302
    -0.000000    0.000000   13.860362
   Si   O    H 
    32    64    10
Direct configuration=  2718
   0.17104932  0.19068868 -0.01336081
   0.34668107  0.11775196  0.38693254
   0.15302319  0.43114564  0.11530108
   0.39949178  0.35938155  0.25065663
   0.07066321  0.12823188  0.48621969
   0.39269598  0.11958834  0.84846288
   0.11577452  0.37156158  0.62460414
   0.38193511  0.37548643  0.74506912
   0.12943299  0.69915165  0.00434518
   0.42928549  0.60490053  0.37766292
   0.07234866  0.91372337  0.16553979
   0.33018446  0.85833544  0.27526060
   0.17441584  0.60723437  0.48197500
   0.35637695  0.62821603  0.84751047
   0.08556382  0.85846146  0.59433292
   0.36498961  0.98263291  0.67747998
   0.63185823  0.12243775  1.00377293
   0.83994449  0.11807104  0.34612515
   0.62896590  0.40675141  0.10603763
   0.88972768  0.30001197  0.16320490
   0.61807609  0.18873318  0.48921589
   0.89485057  0.08925643  0.88934305
   0.63031045  0.43788227  0.62007916
   0.77394766  0.34830864  0.81813559
   0.58318355  0.67463828 -0.00930107
   0.90936562  0.61675570  0.37210915
   0.54385137  0.91193271  0.13611030
   0.80607187  0.84275275  0.24506341
   0.67192915  0.67700105  0.47620710
   0.85588922  0.63978949  0.90203257
   0.67534607  0.95970700  0.63251647
   0.87164276  0.86686668  0.76047534
   0.09849423  0.07515231  0.17494545
   0.33773129  0.21129910  0.29334590
   0.14861091  0.35114493  0.01587830
   0.41221189  0.45210904  0.34213988
   0.54253132  0.32669796  0.19202692
   0.29208113  0.41624093  0.17150898
   0.20681277  0.14130659  0.43045539
  -0.05360898  0.18841523  0.42177901
   0.05347535 -0.04051342  0.50323753
   0.44974072  0.22714835  0.77185721
   0.08344399  0.21672759  0.59445093
   0.36550281  0.46169739  0.84355898
   0.48087574  0.44182394  0.66988206
   0.24563338  0.34291601  0.69359917
   0.24502824  0.16680715 -0.12210902
   0.02673702  0.11312956  0.96127942
   0.11359118  0.59212069  0.08923974
   0.39476468  0.71346656  0.29730749
   0.14243471  0.85146868  0.06077712
   0.37228824  0.96186208  0.36355340
   0.40465335  0.93839139  0.18568140
   0.17119801  0.84908075  0.24809110
   0.33373354  0.62988641  0.46216423
   0.07290463  0.61892851  0.38171510
   0.15795521  0.45386693  0.52938176
   0.31369585  0.65993455  0.74007973
   0.11691893  0.71128323  0.55779710
   0.38825769  0.96752280  0.79022232
   0.50979322  0.91162229  0.64226276
   0.23410527  0.88337434  0.65030273
   0.25431548  0.66064606 -0.06118305
  -0.00189356  0.68313988  0.93827996
   0.62931364  0.05379399  0.10983641
   0.84818427  0.20281343  0.24660853
   0.63669544  0.28835230  0.02160025
   0.85130714  0.46104149  0.38524996
   0.03614268  0.37287475  0.18729432
   0.78168350  0.41773200  0.15220948
   0.68911196  0.14314144  0.39004912
   0.45294808  0.17666449  0.47511870
   0.68565781  0.10506443  0.57541333
   0.85795979  0.21254229  0.81180879
   0.64344809  0.34736522  0.52406017
   0.84532240  0.47409337  0.87738404
   0.99185840  0.45340823  0.67310196
   0.73771776  0.39090955  0.70138086
   0.75704633  0.06009782  0.94964085
   0.48324589  0.10873883  0.94895634
   0.56558659  0.54944502  0.07448990
   0.86218417  0.68743587  0.27305067
   0.52969007  0.80324811  0.04633469
   0.85027578  0.95024091  0.33258756
   0.92309920  0.88653146  0.16574280
   0.64647068  0.83191558  0.21496853
   0.83276329  0.70289955  0.45713380
   0.58993732  0.59202954  0.39272813
   0.65348071  0.59012472  0.57648074
   0.82605142  0.71853404  0.80485651
   0.57470326  0.82140420  0.48535564
   0.94334948  0.95234995  0.83816215
   0.96328593  0.85042072  0.66761834
   0.72244296  0.94472435  0.74179924
   0.75184616  0.66471029  0.98450885
   0.50783456  0.67412018  0.88625734
   0.77401985  0.88036591  0.57573518
   0.53476355  0.81155943  0.53709445
   0.90705339  0.22956965  0.06830998
   0.93097371  0.40168651  0.37673778
   0.32995017  0.09935501  0.62347947
   0.27821179  0.72070380  0.70899308
   0.20059266  1.08859008  0.18264232
   0.27463226  1.13205004  0.05506732
   0.64916987  0.33758032  0.86790613
   0.91974481  0.40410117  0.67845913
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941094    0.091860   -0.199480
    -0.000000    9.858376    0.053507
    -0.000000    0.000000   13.859312
   Si   O    H 
    32    64    10
Direct configuration=  2719
   0.17122338  0.19098789 -0.01306244
   0.34582350  0.11809912  0.38757109
   0.15266967  0.43180242  0.11463560
   0.39827494  0.35819658  0.25068464
   0.07082267  0.12758778  0.48558830
   0.39240128  0.12041223  0.84877077
   0.11507890  0.37282436  0.62496293
   0.38222817  0.37515673  0.74600320
   0.12946461  0.69868151  0.00518295
   0.42966720  0.60321917  0.37694455
   0.07388658  0.91405289  0.16477804
   0.33025603  0.85788787  0.27594249
   0.17419124  0.60611370  0.48189854
   0.35457390  0.62823465  0.84861164
   0.08434011  0.86047317  0.59545874
   0.36736857  0.98179213  0.67709052
   0.63220873  0.12280208  1.00356802
   0.83937559  0.11881601  0.34570383
   0.62829512  0.40707916  0.10484341
   0.88926043  0.29941901  0.16316213
   0.61840687  0.18833672  0.48940805
   0.89529507  0.08943884  0.88891949
   0.63010697  0.43776262  0.61956550
   0.77345025  0.34822558  0.81753619
   0.58338997  0.67427852 -0.00864263
   0.90709823  0.61733251  0.37280469
   0.54442677  0.91347266  0.13494279
   0.80570544  0.84212963  0.24467382
   0.66978017  0.67657964  0.47663287
   0.85607130  0.64061267  0.90141016
   0.67499162  0.95929488  0.63192448
   0.87132647  0.86612608  0.76119248
   0.10080522  0.07727830  0.17559893
   0.33747983  0.21118346  0.29278323
   0.14858800  0.35346859  0.01598265
   0.41528504  0.45004347  0.34042590
   0.54183732  0.32773339  0.19277935
   0.29196406  0.41788565  0.17086917
   0.20753309  0.14157471  0.43107109
  -0.05131076  0.18810622  0.42125784
   0.05343027 -0.03969656  0.50291883
   0.44944695  0.22659514  0.77140706
   0.08400436  0.21659119  0.59359898
   0.36388850  0.46306502  0.84304916
   0.47927081  0.44254429  0.66963716
   0.24565695  0.34239101  0.69280345
   0.24286002  0.16829509 -0.12292187
   0.02648534  0.11099449  0.96144814
   0.11497519  0.59086238  0.08825278
   0.39417249  0.71497987  0.29822381
   0.14392624  0.84882791  0.06003351
   0.37153451  0.96216334  0.36362368
   0.40415349  0.93656590  0.18575874
   0.17143270  0.84814771  0.24821181
   0.33329643  0.62964178  0.46279632
   0.07412524  0.61856557  0.38172078
   0.15751750  0.45406519  0.53085297
   0.31527874  0.65871880  0.74158495
   0.11591290  0.71078269  0.55828267
   0.38565260  0.96846298  0.79084218
   0.50889306  0.91328251  0.64143932
   0.23436865  0.88316176  0.65036953
   0.25516298  0.66055652 -0.06206884
  -0.00166920  0.68451479  0.93889715
   0.62957153  0.05352006  0.11087155
   0.84742711  0.20203698  0.24718267
   0.63798019  0.28789797  0.02164731
   0.85081463  0.46057497  0.38536341
   0.03599984  0.37243278  0.18557587
   0.78188120  0.41879561  0.15249922
   0.69006634  0.14281904  0.39097376
   0.45226940  0.17493178  0.47375388
   0.68660303  0.10699966  0.57398474
   0.85957184  0.21312455  0.81134392
   0.64222594  0.34802757  0.52335941
   0.84609720  0.47519362  0.87726831
   0.99274205  0.45369314  0.67397862
   0.73570691  0.39066989  0.70194458
   0.75536958  0.06123110  0.94965467
   0.48054213  0.10669002  0.94934901
   0.56461865  0.54969403  0.07463587
   0.86185365  0.68790893  0.27354363
   0.52903321  0.80503322  0.04624606
   0.84719908  0.95036331  0.33218268
   0.92058662  0.88615503  0.16407367
   0.64937008  0.83398474  0.21445045
   0.83075948  0.70361952  0.45727806
   0.58881900  0.59218495  0.39205189
   0.65223770  0.59095008  0.57800416
   0.82653437  0.71886317  0.80394248
   0.57671427  0.82195470  0.48498716
   0.94234845  0.95152212  0.83851287
   0.96356462  0.85080508  0.66821681
   0.72283154  0.94473118  0.74121873
   0.75146907  0.66570476  0.98378423
   0.50725952  0.67513865  0.88607658
   0.77950909  0.87003966  0.57224843
   0.52366561  0.80340117  0.55450650
   0.90375713  0.23291935  0.06838742
   0.93275869  0.40039070  0.37626146
   0.32664245  0.09770748  0.62629325
   0.26975148  0.76019994  0.69750036
   0.20358809  1.08166548  0.18526227
   0.27713389  1.13600694  0.05028226
   0.64953832  0.33257736  0.87081095
   0.90112697  0.39869378  0.67781022
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941029    0.092277   -0.200808
    -0.000000    9.860472    0.052303
    -0.000000    0.000000   13.857769
   Si   O    H 
    32    64    10
Direct configuration=  2720
   0.17167217  0.19116887 -0.01336510
   0.34610806  0.11822040  0.38842021
   0.15184530  0.43242754  0.11393215
   0.39726399  0.35613567  0.25048867
   0.07178460  0.12634731  0.48520050
   0.39220015  0.12071189  0.84891113
   0.11449644  0.37365022  0.62570168
   0.38304896  0.37531678  0.74732570
   0.12911781  0.69839847  0.00576538
   0.43086623  0.60174048  0.37647844
   0.07530540  0.91460319  0.16408666
   0.33035213  0.85741362  0.27657263
   0.17383038  0.60450799  0.48152354
   0.35319685  0.62745088  0.85046438
   0.08266843  0.86243215  0.59631836
   0.36894757  0.98112050  0.67666942
   0.63244141  0.12288648  1.00338903
   0.83881577  0.11859771  0.34553239
   0.62761014  0.40716434  0.10432947
   0.88941851  0.29808000  0.16286493
   0.61892353  0.18811406  0.48917764
   0.89556690  0.08909261  0.88890760
   0.62886683  0.43810799  0.61922902
   0.77340908  0.34848425  0.81682390
   0.58434924  0.67383805 -0.00827811
   0.90514401  0.61743587  0.37354017
   0.54489886  0.91496847  0.13371901
   0.80577446  0.84126466  0.24439787
   0.66851293  0.67691954  0.47722842
   0.85694424  0.64104051  0.90096619
   0.67509920  0.95854118  0.63081610
   0.87093494  0.86468450  0.76152830
   0.10399274  0.07922137  0.17650955
   0.33748564  0.21156075  0.29243919
   0.14815857  0.35478648  0.01575924
   0.41827286  0.44778643  0.33971355
   0.54040814  0.32908511  0.19384723
   0.29271020  0.41970607  0.17033586
   0.20793816  0.14221616  0.43251758
  -0.04937924  0.18745266  0.42040641
   0.05299761 -0.03877101  0.50241610
   0.45047810  0.22580250  0.77138254
   0.08404294  0.21591054  0.59230849
   0.36246136  0.46384771  0.84255912
   0.47800516  0.44404068  0.66980007
   0.24503327  0.34188668  0.69236434
   0.24112120  0.16913263 -0.12348401
   0.02601868  0.10980754  0.96175310
   0.11643470  0.58987474  0.08754960
   0.39429521  0.71615429  0.29890846
   0.14473896  0.84636169  0.05970217
   0.37027161  0.96255343  0.36385158
   0.40350288  0.93470337  0.18583113
   0.17106455  0.84678158  0.24822632
   0.33301693  0.62904760  0.46366853
   0.07522338  0.61829947  0.38159478
   0.15712967  0.45542459  0.53257931
   0.31624095  0.65735014  0.74251858
   0.11490783  0.71136243  0.55876484
   0.38347332  0.96943411  0.79219018
   0.50840601  0.91479110  0.64115661
   0.23551379  0.88286027  0.64946066
   0.25634819  0.66039880 -0.06297011
  -0.00047177  0.68598142  0.93941980
   0.62935599  0.05392624  0.11136229
   0.84717972  0.20050984  0.24799001
   0.63858382  0.28735125  0.02166977
   0.85076767  0.45950966  0.38532272
   0.03522355  0.37221202  0.18377063
   0.78231974  0.41956878  0.15235898
   0.69183989  0.14231951  0.39181495
   0.45163500  0.17300254  0.47172797
   0.68720417  0.10774540  0.57340590
   0.86148845  0.21298506  0.81118761
   0.63999180  0.34875490  0.52275613
   0.84608792  0.47650638  0.87721113
   0.99252398  0.45307229  0.67471712
   0.73379566  0.39024720  0.70308103
   0.75458473  0.06263567  0.94914453
   0.47912079  0.10513358  0.94933996
   0.56317951  0.55033970  0.07445709
   0.86217609  0.68868009  0.27417942
   0.52851518  0.80660281  0.04629391
   0.84494515  0.95148290  0.33175437
   0.91678530  0.88522240  0.16289702
   0.65181936  0.83616528  0.21405764
   0.82933188  0.70320972  0.45719383
   0.58862428  0.59222458  0.39116116
   0.65166835  0.59146567  0.57926880
   0.82732881  0.71919318  0.80331416
   0.57845890  0.82212770  0.48554150
   0.94159856  0.95187876  0.83959829
   0.96407434  0.85172303  0.66907936
   0.72374633  0.94477359  0.74079836
   0.75066270  0.66708591  0.98355224
   0.50606841  0.67552645  0.88615970
   0.78337596  0.86565870  0.57232053
   0.51748247  0.80049717  0.56274741
   0.90018835  0.23659618  0.06698224
   0.93050539  0.40075031  0.37770121
   0.32062804  0.10457933  0.62766018
   0.26754616  0.78928676  0.69064209
   0.19784851  1.07842465  0.18786902
   0.28145498  1.13665749  0.04617488
   0.64826712  0.32497745  0.87133864
   0.89316415  0.39830763  0.67525517
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940211    0.092754   -0.202029
    -0.000000    9.862628    0.051067
    -0.000000    0.000000   13.855790
   Si   O    H 
    32    64    10
Direct configuration=  2721
   0.17197298  0.19118472 -0.01421761
   0.34634031  0.11791068  0.38951877
   0.15020874  0.43264501  0.11334039
   0.39665264  0.35406826  0.24990651
   0.07298302  0.12562981  0.48484934
   0.39234838  0.12157399  0.84888586
   0.11368195  0.37349219  0.62681103
   0.38329686  0.37591893  0.74805675
   0.12922891  0.69822202  0.00585445
   0.43220228  0.60004333  0.37642185
   0.07644889  0.91447518  0.16293182
   0.33037911  0.85756393  0.27728501
   0.17290837  0.60356540  0.48147238
   0.35292056  0.62617578  0.85201838
   0.08152457  0.86439139  0.59690644
   0.36973211  0.98039705  0.67634044
   0.63178391  0.12314784  1.00322097
   0.83788410  0.11750797  0.34565038
   0.62637404  0.40765203  0.10412426
   0.88991111  0.29622139  0.16248991
   0.61901333  0.18796905  0.48884330
   0.89592896  0.08829588  0.88891579
   0.62730455  0.43875893  0.61836284
   0.77373729  0.34877186  0.81633087
   0.58537004  0.67313054 -0.00836596
   0.90303895  0.61739012  0.37393211
   0.54558873  0.91634464  0.13264895
   0.80629088  0.84071096  0.24421039
   0.66712894  0.67730195  0.47773445
   0.85795992  0.64046386  0.90054542
   0.67510327  0.95773630  0.62922437
   0.87067409  0.86257626  0.76181687
   0.10622937  0.08148881  0.17735907
   0.33804720  0.21262532  0.29208079
   0.14838144  0.35503459  0.01593052
   0.42064893  0.44594619  0.33893935
   0.53846010  0.33083975  0.19440373
   0.29373131  0.42110360  0.17002109
   0.20783440  0.14337213  0.43401101
  -0.04849602  0.18655190  0.41931166
   0.05268633 -0.03810457  0.50237022
   0.45125647  0.22565936  0.77119496
   0.08426161  0.21451842  0.59081155
   0.36082293  0.46383971  0.84256543
   0.47759739  0.44501042  0.67030484
   0.24354256  0.34133593  0.69182120
   0.23996231  0.16924926 -0.12361018
   0.02595768  0.10913843  0.96237650
   0.11834718  0.58849071  0.08777468
   0.39415523  0.71714680  0.29887429
   0.14575211  0.84494927  0.05967405
   0.36837952  0.96309540  0.36331261
   0.40269903  0.93381117  0.18621817
   0.17122361  0.84589751  0.24811754
   0.33224805  0.62868558  0.46446884
   0.07643968  0.61785512  0.38191311
   0.15662882  0.45716827  0.53355987
   0.31696842  0.65666065  0.74357434
   0.11318787  0.71173549  0.55891443
   0.38093312  0.97060063  0.79359211
   0.50946907  0.91601870  0.64083852
   0.23669108  0.88308541  0.64863903
   0.25694567  0.66109554 -0.06355131
   0.00051321  0.68792329  0.93988690
   0.62755936  0.05451457  0.11067612
   0.84688788  0.19857993  0.24840657
   0.63827251  0.28750466  0.02125155
   0.85066168  0.45922063  0.38574859
   0.03532214  0.37223463  0.18232973
   0.78180778  0.42060973  0.15221072
   0.69320602  0.14199934  0.39225687
   0.45120051  0.16999694  0.46954492
   0.68804359  0.10766332  0.57413123
   0.86308538  0.21350167  0.81110463
   0.63817818  0.34938020  0.52217110
   0.84639844  0.47732049  0.87698155
   0.99095020  0.45317735  0.67560673
   0.73235657  0.38951502  0.70383627
   0.75398888  0.06398157  0.94838831
   0.47810974  0.10357952  0.94948931
   0.56188277  0.55117922  0.07447886
   0.86257297  0.68945124  0.27495848
   0.52842756  0.80891768  0.04632588
   0.84324369  0.95136004  0.33100165
   0.91314755  0.88469775  0.16116260
   0.65337733  0.83933076  0.21340561
   0.82814550  0.70334672  0.45721129
   0.58943114  0.59257186  0.38994095
   0.65117798  0.59162518  0.58062196
   0.82806344  0.71958844  0.80187564
   0.57898745  0.82124425  0.48648855
   0.94193483  0.95267053  0.84107580
   0.96465629  0.85241695  0.66990604
   0.72425938  0.94517299  0.74053833
   0.74926910  0.66884467  0.98371656
   0.50499473  0.67650839  0.88633017
   0.78314198  0.86524883  0.57585211
   0.51452270  0.80369062  0.56102173
   0.89540484  0.24150861  0.06656534
   0.92491155  0.40059328  0.37804175
   0.31950100  0.10961365  0.62767028
   0.26247984  0.80813366  0.68785544
   0.20062669  1.08193572  0.19214967
   0.28256037  1.13907982  0.04405336
   0.64810638  0.31770032  0.86812664
   0.89633048  0.40330359  0.67170082
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939433    0.093598   -0.202118
    -0.000000    9.865246    0.049317
    -0.000000    0.000000   13.853628
   Si   O    H 
    32    64    10
Direct configuration=  2722
   0.17201045  0.19123272 -0.01515809
   0.34718724  0.11776821  0.39049999
   0.14832196  0.43325910  0.11307382
   0.39683853  0.35242403  0.24907502
   0.07408156  0.12498583  0.48447836
   0.39264128  0.12255113  0.84927298
   0.11315898  0.37304245  0.62769964
   0.38298083  0.37653770  0.74834580
   0.12979837  0.69799105  0.00612058
   0.43263882  0.59878158  0.37592224
   0.07777905  0.91438900  0.16179781
   0.33018679  0.85821284  0.27802653
   0.17170276  0.60297700  0.48123205
   0.35263836  0.62463808  0.85313581
   0.08079414  0.86573139  0.59699292
   0.37053062  0.98004967  0.67601804
   0.63051458  0.12452607  1.00310349
   0.83753097  0.11633449  0.34636924
   0.62523474  0.40775948  0.10404962
   0.89079142  0.29458479  0.16208133
   0.61854598  0.18804678  0.48834154
   0.89648093  0.08774600  0.88938121
   0.62592871  0.43955123  0.61772462
   0.77451684  0.34920920  0.81605046
   0.58670712  0.67254034 -0.00847441
   0.90107962  0.61721367  0.37468607
   0.54647773  0.91681904  0.13206814
   0.80629422  0.84032817  0.24409500
   0.66628112  0.67792657  0.47786529
   0.85931199  0.63977166  0.89980904
   0.67504897  0.95692091  0.62722824
   0.87031800  0.86062634  0.76194701
   0.10741268  0.08350967  0.17811704
   0.33969729  0.21309992  0.29118609
   0.14874680  0.35409521  0.01553319
   0.42191877  0.44451676  0.33886144
   0.53659869  0.33246566  0.19460465
   0.29434179  0.42225146  0.16908698
   0.20835494  0.14448799  0.43561510
  -0.04851484  0.18582582  0.41825818
   0.05293918 -0.03810081  0.50221330
   0.45182861  0.22519896  0.77125654
   0.08481757  0.21293695  0.58919581
   0.35983410  0.46390900  0.84246170
   0.47729662  0.44551299  0.67079510
   0.24284560  0.34119143  0.69125165
   0.23860888  0.16986747 -0.12391095
   0.02613579  0.10875336  0.96263665
   0.11950313  0.58754280  0.08835940
   0.39451088  0.71770374  0.29861498
   0.14692685  0.84461122  0.05987149
   0.36645158  0.96274818  0.36329240
   0.40169539  0.93320567  0.18615337
   0.17112689  0.84515381  0.24853444
   0.33157511  0.62831137  0.46515291
   0.07671568  0.61713151  0.38174020
   0.15623620  0.45981918  0.53433496
   0.31675834  0.65677517  0.74418238
   0.11053616  0.71180553  0.55935122
   0.37919978  0.97273214  0.79470498
   0.51097575  0.91715994  0.64047324
   0.23729256  0.88347350  0.64788212
   0.25705536  0.66205983 -0.06350359
   0.00109701  0.68914699  0.93979018
   0.62558145  0.05503495  0.10993163
   0.84654605  0.19675316  0.24871579
   0.63840653  0.28720025  0.02025027
   0.85031483  0.46065240  0.38620623
   0.03584772  0.37276756  0.18111134
   0.78127437  0.42187076  0.15175875
   0.69378632  0.14185074  0.39259334
   0.45137943  0.16778301  0.46760072
   0.68869121  0.10673993  0.57524573
   0.86548769  0.21346939  0.81094938
   0.63647833  0.34998789  0.52110416
   0.84637672  0.47756543  0.87673903
   0.98866740  0.45321554  0.67627376
   0.73153263  0.38880101  0.70478134
   0.75409177  0.06543750  0.94729949
   0.47736938  0.10157037  0.94933988
   0.56159743  0.55184063  0.07401731
   0.86309752  0.69004773  0.27577267
   0.52715985  0.81136094  0.04568429
   0.84171020  0.95163246  0.33028140
   0.91025070  0.88493766  0.15947598
   0.65399672  0.84290940  0.21250587
   0.82668792  0.70391491  0.45725369
   0.59051102  0.59369557  0.38946692
   0.64995461  0.59231068  0.58157166
   0.82859134  0.71923753  0.80056958
   0.57903684  0.82001743  0.48805886
   0.94240654  0.95322115  0.84184359
   0.96559705  0.85337882  0.67097616
   0.72533406  0.94573741  0.74059994
   0.74709267  0.67040836  0.98379920
   0.50478769  0.67812522  0.88586364
   0.77715785  0.86822869  0.58192361
   0.51366786  0.80835132  0.55278702
   0.89091033  0.24355748  0.06445807
   0.92707277  0.39692184  0.38010549
   0.31751031  0.10930032  0.62996375
   0.25853254  0.80664950  0.69261915
   0.20897690  1.08543081  0.19734700
   0.28064702  1.14068288  0.04471346
   0.64778982  0.31070255  0.86325903
   0.90531849  0.41122072  0.67101591
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938716    0.094633   -0.202390
    -0.000000    9.867821    0.047717
    -0.000000    0.000000   13.851759
   Si   O    H 
    32    64    10
Direct configuration=  2723
   0.17225129  0.19087160 -0.01597527
   0.34812304  0.11796072  0.39096179
   0.14705291  0.43379196  0.11307447
   0.39684360  0.35044008  0.24811805
   0.07442162  0.12461353  0.48419845
   0.39232661  0.12326835  0.84973552
   0.11227227  0.37203418  0.62854817
   0.38245925  0.37708601  0.74847485
   0.13031987  0.69798183  0.00635945
   0.43267102  0.59765612  0.37557519
   0.07858608  0.91399091  0.16036100
   0.33040928  0.85863528  0.27859223
   0.17047403  0.60228754  0.48092150
   0.35269245  0.62326088  0.85391089
   0.07959870  0.86657015  0.59696654
   0.37133091  0.97997319  0.67594304
   0.62886374  0.12552013  1.00265069
   0.83665364  0.11499451  0.34690189
   0.62440716  0.40764262  0.10444516
   0.89102524  0.29287266  0.16196245
   0.61794871  0.18841868  0.48816608
   0.89750115  0.08682993  0.89004907
   0.62437193  0.44045945  0.61748080
   0.77458777  0.34950114  0.81576309
   0.58731098  0.67181508 -0.00847612
   0.90006789  0.61742490  0.37550423
   0.54733373  0.91700655  0.13178889
   0.80696173  0.84058137  0.24382445
   0.66515833  0.67768764  0.47814515
   0.85991968  0.63907344  0.89917705
   0.67524338  0.95592136  0.62524645
   0.86969424  0.85951723  0.76203052
   0.10883084  0.08464613  0.17810883
   0.34115513  0.21309703  0.29027804
   0.14917766  0.35242125  0.01458563
   0.42258957  0.44258890  0.33883523
   0.53560764  0.33372644  0.19474236
   0.29455993  0.42265820  0.16850403
   0.20774317  0.14567581  0.43674784
  -0.04950920  0.18448437  0.41744410
   0.05313014 -0.03781153  0.50235994
   0.45181725  0.22536014  0.77123907
   0.08493172  0.21160869  0.58768236
   0.35847000  0.46360628  0.84173901
   0.47737293  0.44598758  0.67148587
   0.24269537  0.34107386  0.69113872
   0.23710999  0.17076995 -0.12422287
   0.02623852  0.10939625  0.96361368
   0.12048559  0.58668645  0.08959041
   0.39422730  0.71697068  0.29794343
   0.14729607  0.84494972  0.05979271
   0.36497172  0.96245998  0.36370314
   0.40081900  0.93265661  0.18602439
   0.17103902  0.84497790  0.24902494
   0.33054602  0.62783846  0.46545902
   0.07631141  0.61658659  0.38159595
   0.15508375  0.46142704  0.53555589
   0.31702924  0.65816797  0.74484189
   0.10835634  0.71249589  0.56035275
   0.37749462  0.97374135  0.79576060
   0.51208406  0.91904049  0.64018560
   0.23709191  0.88426478  0.64671231
   0.25599519  0.66325351 -0.06293638
   0.00026164  0.69048130  0.93919361
   0.62353126  0.05598773  0.10925391
   0.84651681  0.19577349  0.24887438
   0.63817105  0.28687274  0.01913240
   0.84937337  0.46102044  0.38622612
   0.03618476  0.37343221  0.17961526
   0.78028680  0.42331351  0.15121586
   0.69395729  0.14278140  0.39338394
   0.45153138  0.16581388  0.46598273
   0.68961732  0.10494298  0.57663549
   0.86741971  0.21340557  0.81104425
   0.63425554  0.35076476  0.52040562
   0.84649070  0.47724565  0.87587901
   0.98721014  0.45375949  0.67698494
   0.73112166  0.38816252  0.70556837
   0.75448947  0.06674403  0.94617806
   0.47717900  0.09995314  0.94918089
   0.56236675  0.55358071  0.07340698
   0.86360578  0.69125973  0.27633450
   0.52636900  0.81413951  0.04485519
   0.84014165  0.95226291  0.32895848
   0.90803751  0.88560334  0.15812622
   0.65418164  0.84607603  0.21092500
   0.82438079  0.70431339  0.45699234
   0.59221464  0.59559954  0.38935462
   0.64898462  0.59412540  0.58256019
   0.82879380  0.71828670  0.79923974
   0.57777357  0.81910084  0.48929028
   0.94290790  0.95301955  0.84272564
   0.96733085  0.85442512  0.67213363
   0.72613120  0.94680261  0.74070889
   0.74561465  0.67207233  0.98409916
   0.50534084  0.67958945  0.88543090
   0.77060087  0.87035249  0.58686084
   0.51733762  0.81160712  0.53857740
   0.88809100  0.24352279  0.06274777
   0.92526827  0.39565491  0.38141263
   0.32021801  0.10483795  0.63204270
   0.25999148  0.78657068  0.70321710
   0.20569609  1.09063436  0.20113207
   0.27889449  1.13796117  0.04861215
   0.64797891  0.30393951  0.85806210
   0.90030506  0.41465163  0.66918225
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938297    0.095593   -0.203052
    -0.000000    9.870095    0.046187
    -0.000000    0.000000   13.850084
   Si   O    H 
    32    64    10
Direct configuration=  2724
   0.17256353  0.19101172 -0.01694191
   0.34863959  0.11812074  0.39029693
   0.14632167  0.43405264  0.11327335
   0.39621048  0.34871723  0.24709741
   0.07455561  0.12420450  0.48449131
   0.39146941  0.12388190  0.85012386
   0.11075787  0.37084154  0.62940765
   0.38157301  0.37698690  0.74819713
   0.13130299  0.69866561  0.00664549
   0.43285209  0.59654851  0.37521440
   0.07946630  0.91241680  0.15944587
   0.33025021  0.85910318  0.27879950
   0.16854658  0.60185011  0.48104224
   0.35323939  0.62180197  0.85436293
   0.07875484  0.86741945  0.59725023
   0.37156081  0.98035695  0.67547086
   0.62763689  0.12724408  1.00195686
   0.83568057  0.11434421  0.34775019
   0.62344995  0.40752828  0.10491712
   0.89131978  0.29134064  0.16189260
   0.61707460  0.18944494  0.48801830
   0.89764330  0.08650089  0.89049900
   0.62323661  0.44131804  0.61729177
   0.77405261  0.35003304  0.81569479
   0.58753812  0.67094421 -0.00813400
   0.89908032  0.61741742  0.37639112
   0.54816086  0.91720077  0.13191579
   0.80769488  0.84074775  0.24338560
   0.66376736  0.67752528  0.47827201
   0.86052584  0.63836760  0.89889809
   0.67481059  0.95458743  0.62387920
   0.86923525  0.85875161  0.76203522
   0.11115962  0.08531643  0.17767926
   0.34279330  0.21260203  0.28981235
   0.14946465  0.35002756  0.01352375
   0.42271157  0.44145097  0.33868420
   0.53589582  0.33470620  0.19426435
   0.29500559  0.42273724  0.16812674
   0.20767858  0.14725789  0.43758796
  -0.05038964  0.18292127  0.41639432
   0.05259741 -0.03760137  0.50249525
   0.45169453  0.22618628  0.77142240
   0.08478078  0.21067363  0.58637775
   0.35767403  0.46307825  0.84155038
   0.47751245  0.44613745  0.67185828
   0.24266948  0.34144419  0.69131272
   0.23618186  0.17141428 -0.12487897
   0.02632493  0.11073991  0.96434744
   0.12186211  0.58587478  0.09091411
   0.39345741  0.71526337  0.29733204
   0.14768227  0.84584493  0.05964254
   0.36395719  0.96204142  0.36415050
   0.39975514  0.93213336  0.18606548
   0.17122251  0.84474388  0.24916329
   0.33025324  0.62750399  0.46543548
   0.07596479  0.61538215  0.38152257
   0.15376642  0.46318330  0.53643117
   0.31653488  0.66102094  0.74527741
   0.10699278  0.71267129  0.56118941
   0.37635143  0.97578498  0.79682438
   0.51284861  0.92057993  0.63967957
   0.23697206  0.88503666  0.64602317
   0.25454422  0.66412232 -0.06224910
  -0.00001379  0.69239632  0.93861073
   0.62140626  0.05623618  0.10875869
   0.84630793  0.19472888  0.24856923
   0.63735905  0.28776096  0.01802161
   0.84819668  0.46104484  0.38637992
   0.03643488  0.37424707  0.17892171
   0.78007996  0.42455874  0.15052116
   0.69319668  0.14292945  0.39414638
   0.45286068  0.16425165  0.46489427
   0.69001050  0.10368924  0.57774294
   0.86959798  0.21380860  0.81111472
   0.63200616  0.35054981  0.51983329
   0.84719344  0.47664649  0.87445411
   0.98665312  0.45424127  0.67753116
   0.73087450  0.38757994  0.70601020
   0.75588201  0.06802172  0.94538414
   0.47711630  0.09735933  0.94872465
   0.56281173  0.55562228  0.07305583
   0.86356962  0.69265318  0.27654769
   0.52690652  0.81545833  0.04352347
   0.83851742  0.95239489  0.32887793
   0.90714775  0.88645409  0.15683416
   0.65393470  0.84858300  0.20945711
   0.82236043  0.70494997  0.45700981
   0.59344393  0.59712388  0.38959740
   0.64858692  0.59559976  0.58332676
   0.82952242  0.71648134  0.79782286
   0.57698494  0.81722125  0.49011977
   0.94307257  0.95215542  0.84312940
   0.96888753  0.85591282  0.67309368
   0.72628971  0.94751401  0.74036016
   0.74528660  0.67318162  0.98419854
   0.50595577  0.68071788  0.88522455
   0.76521956  0.86841852  0.58663321
   0.51158686  0.81169311  0.53298476
   0.88315766  0.24187187  0.06143745
   0.92281817  0.39279312  0.38302214
   0.32356939  0.10033630  0.63356138
   0.26755855  0.76555344  0.71363844
   0.19648873  1.09585499  0.20275952
   0.27497093  1.13287874  0.05352402
   0.64890266  0.30018638  0.85320938
   0.88493267  0.41739533  0.66821645
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937649    0.096449   -0.203724
    -0.000000    9.872116    0.044031
    -0.000000    0.000000   13.848857
   Si   O    H 
    32    64    10
Direct configuration=  2725
   0.17243756  0.19072732 -0.01782963
   0.34826794  0.11868749  0.38930054
   0.14597747  0.43431025  0.11360602
   0.39577381  0.34765382  0.24579648
   0.07389981  0.12352445  0.48519056
   0.39027574  0.12463597  0.85048682
   0.10914681  0.36910917  0.62988167
   0.38093084  0.37675058  0.74796598
   0.13296910  0.69933019  0.00676834
   0.43259791  0.59525113  0.37488157
   0.08030198  0.91179755  0.15853980
   0.32966200  0.85979152  0.27922667
   0.16653090  0.60210699  0.48130676
   0.35393563  0.62122271  0.85493585
   0.07883263  0.86702871  0.59699455
   0.37202321  0.98047705  0.67535453
   0.62622731  0.12869336  1.00085071
   0.83441332  0.11394607  0.34842107
   0.62273240  0.40721512  0.10499358
   0.89197648  0.29007947  0.16191661
   0.61593710  0.19053952  0.48800467
   0.89717677  0.08666204  0.89091742
   0.62244521  0.44262534  0.61737688
   0.77387524  0.35052909  0.81588452
   0.58798987  0.67076260 -0.00796709
   0.89812798  0.61692549  0.37730761
   0.54916356  0.91686455  0.13166994
   0.80868453  0.84108138  0.24305603
   0.66280371  0.67762221  0.47849505
   0.86107154  0.63814032  0.89898297
   0.67427270  0.95427318  0.62295621
   0.86871025  0.85875255  0.76251165
   0.11192642  0.08609148  0.17727214
   0.34430151  0.21179526  0.28975912
   0.14955511  0.34684588  0.01232181
   0.42221851  0.44062001  0.33911420
   0.53688907  0.33477321  0.19399752
   0.29504150  0.42348576  0.16809573
   0.20791178  0.14790787  0.43813758
  -0.05092088  0.18156862  0.41541576
   0.05209256 -0.03674865  0.50319143
   0.45147501  0.22664362  0.77128896
   0.08450879  0.20976352  0.58503657
   0.35668152  0.46315655  0.84158292
   0.47778140  0.44670992  0.67196492
   0.24241746  0.34127726  0.69181653
   0.23569017  0.17242052 -0.12519282
   0.02712958  0.11190535  0.96498191
   0.12352740  0.58587263  0.09221761
   0.39312339  0.71294376  0.29711746
   0.14771283  0.84679750  0.05955898
   0.36300752  0.96142734  0.36490700
   0.39938209  0.93196565  0.18562982
   0.17129214  0.84432694  0.24960540
   0.33075986  0.62645047  0.46546322
   0.07563110  0.61468330  0.38134699
   0.15284442  0.46345977  0.53743448
   0.31560275  0.66402464  0.74531761
   0.10647662  0.71197794  0.56146058
   0.37525255  0.97853493  0.79790075
   0.51351302  0.92177087  0.63873451
   0.23671386  0.88551770  0.64494257
   0.25323919  0.66413474 -0.06227141
   0.00052590  0.69523751  0.93847363
   0.61933497  0.05665076  0.10765767
   0.84621969  0.19329478  0.24825698
   0.63658630  0.28858874  0.01721487
   0.84612930  0.46065849  0.38618287
   0.03600841  0.37485234  0.17875515
   0.77982046  0.42559577  0.14983868
   0.69254008  0.14370209  0.39475432
   0.45475827  0.16267283  0.46371982
   0.68998921  0.10364930  0.57819306
   0.87151592  0.21386541  0.81130272
   0.62978226  0.35015737  0.51931480
   0.84755081  0.47603046  0.87260610
   0.98573698  0.45297762  0.67809658
   0.73041913  0.38769965  0.70664020
   0.75764076  0.06886711  0.94424184
   0.47794888  0.09515155  0.94827415
   0.56386809  0.55635510  0.07266917
   0.86326750  0.69460475  0.27645145
   0.52800985  0.81634812  0.04247801
   0.83748842  0.95207565  0.32893281
   0.90743180  0.88831082  0.15565749
   0.65355614  0.85098873  0.20872089
   0.82012078  0.70545568  0.45728709
   0.59422268  0.59883776  0.39048421
   0.64851029  0.59681352  0.58381499
   0.83041342  0.71411322  0.79653660
   0.57705315  0.81527929  0.49004243
   0.94359544  0.95165081  0.84344535
   0.97045416  0.85703522  0.67407046
   0.72727518  0.94869734  0.73974597
   0.74564776  0.67495065  0.98391633
   0.50651115  0.68181625  0.88504439
   0.77032893  0.85986588  0.58301333
   0.48783077  0.81039325  0.53699632
   0.88183661  0.23732208  0.06175413
   0.91667514  0.39032247  0.38442745
   0.32689670  0.10330505  0.63112671
   0.27911847  0.73715845  0.72638044
   0.19755138  1.10357513  0.20652445
   0.26989381  1.12875276  0.05609062
   0.65072469  0.29623344  0.85055226
   0.87425062  0.42279538  0.66992984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937378    0.097836   -0.204682
    -0.000000    9.873777    0.041046
    -0.000000    0.000000   13.848001
   Si   O    H 
    32    64    10
Direct configuration=  2726
   0.17252349  0.18980617 -0.01820340
   0.34828902  0.11893233  0.38795997
   0.14563980  0.43404162  0.11348801
   0.39522423  0.34740070  0.24453159
   0.07257432  0.12336036  0.48639131
   0.38951226  0.12475050  0.85035149
   0.10772516  0.36782482  0.63014050
   0.38025415  0.37610158  0.74735532
   0.13356856  0.70036266  0.00700856
   0.43209910  0.59397412  0.37469386
   0.08102086  0.91175378  0.15762015
   0.32850556  0.86067115  0.27940535
   0.16426301  0.60234258  0.48141273
   0.35441638  0.62108643  0.85497070
   0.07940746  0.86611806  0.59622408
   0.37220837  0.98106344  0.67580723
   0.62466269  0.12941510  0.99990379
   0.83395137  0.11362226  0.34837462
   0.62202229  0.40709252  0.10522996
   0.89271098  0.28960394  0.16151246
   0.61604683  0.19202305  0.48818707
   0.89666369  0.08714835  0.89142582
   0.62181205  0.44410253  0.61775655
   0.77331545  0.35101557  0.81633139
   0.58771072  0.67100546 -0.00769692
   0.89775919  0.61646277  0.37811234
   0.55051408  0.91644627  0.13157230
   0.80966317  0.84159534  0.24206916
   0.66211766  0.67763241  0.47862922
   0.86084357  0.63763872  0.89944953
   0.67437982  0.95399956  0.62183129
   0.86766749  0.85917528  0.76270802
   0.11221993  0.08592334  0.17694158
   0.34536926  0.21034530  0.28958463
   0.14977403  0.34436543  0.01181561
   0.42156618  0.44026830  0.33989860
   0.53867006  0.33466587  0.19308876
   0.29534375  0.42420671  0.16818386
   0.20866619  0.14827450  0.43927980
  -0.05127286  0.18064822  0.41444253
   0.05212505 -0.03659873  0.50279876
   0.45165271  0.22690773  0.77190761
   0.08419432  0.20917631  0.58380968
   0.35563053  0.46226035  0.84116725
   0.47865846  0.44713795  0.67225801
   0.24271613  0.34090820  0.69258757
   0.23581948  0.17414049 -0.12500062
   0.02756878  0.11295665  0.96547455
   0.12554409  0.58697040  0.09403139
   0.39310121  0.71070945  0.29742886
   0.14808069  0.84833449  0.05991716
   0.36273913  0.96070721  0.36576971
   0.39920735  0.93171488  0.18463138
   0.17094269  0.84311436  0.24952840
   0.33139140  0.62576529  0.46545371
   0.07465581  0.61430046  0.38108171
   0.15209433  0.46401955  0.53882811
   0.31570569  0.66404752  0.74593215
   0.10596600  0.71112929  0.56147991
   0.37397633  0.98113100  0.79860854
   0.51408426  0.92329204  0.63820458
   0.23611452  0.88712987  0.64400289
   0.25215074  0.66458132 -0.06206993
   0.00092351  0.69881210  0.93845708
   0.61685044  0.05729932  0.10665088
   0.84578579  0.19190843  0.24797804
   0.63574441  0.28948295  0.01681659
   0.84454375  0.45985871  0.38582408
   0.03427668  0.37382595  0.17890177
   0.77960653  0.42545221  0.14905174
   0.69261346  0.14397801  0.39486606
   0.45665514  0.16094362  0.46303507
   0.69037580  0.10407685  0.57877949
   0.87364002  0.21422719  0.81148545
   0.62721447  0.35091200  0.51930842
   0.84787352  0.47613028  0.87112146
   0.98401893  0.45154539  0.67861563
   0.72988205  0.38693434  0.70662174
   0.75875909  0.06985513  0.94386757
   0.47933145  0.09416186  0.94741814
   0.56485119  0.55628601  0.07319069
   0.86336596  0.69678567  0.27599439
   0.52908085  0.81631425  0.04110684
   0.83773342  0.95196654  0.32964391
   0.90793563  0.89005526  0.15468379
   0.65322828  0.85331158  0.20840540
   0.81833950  0.70521094  0.45778712
   0.59470088  0.60100529  0.39088622
   0.64857582  0.59887982  0.58410154
   0.83109938  0.71201695  0.79531186
   0.57591638  0.81417255  0.48982234
   0.94481164  0.95115304  0.84360163
   0.97125902  0.85773549  0.67563605
   0.72902543  0.95046233  0.73888589
   0.74739506  0.67638418  0.98371428
   0.50666610  0.68356834  0.88508484
   0.77518968  0.85297244  0.57800734
   0.48166212  0.80998359  0.53451412
   0.88393206  0.23200319  0.06286622
   0.91141150  0.38856856  0.38605538
   0.33256479  0.10701834  0.62747591
   0.27074728  0.75148129  0.72747815
   0.20644396  1.11170682  0.21086613
   0.26329137  1.12813860  0.05569102
   0.65563143  0.29419405  0.85110350
   0.87833481  0.42929114  0.67488989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937063    0.099488   -0.205731
    -0.000000    9.875183    0.038533
    -0.000000    0.000000   13.847198
   Si   O    H 
    32    64    10
Direct configuration=  2727
   0.17227087  0.18839614 -0.01858626
   0.34803288  0.11897575  0.38672764
   0.14550735  0.43330250  0.11346263
   0.39457327  0.34767030  0.24363002
   0.07112394  0.12267123  0.48781137
   0.38882554  0.12476342  0.85005465
   0.10619653  0.36697855  0.63021892
   0.37948699  0.37540666  0.74651523
   0.13415598  0.70227877  0.00707539
   0.43136359  0.59253369  0.37458522
   0.08199377  0.91212833  0.15670901
   0.32703523  0.86163750  0.27927650
   0.16262802  0.60333856  0.48183231
   0.35468819  0.62100778  0.85562139
   0.08008974  0.86514152  0.59529881
   0.37227924  0.98112767  0.67656034
   0.62276675  0.13034948  0.99912631
   0.83404119  0.11341923  0.34839039
   0.62128090  0.40675505  0.10572762
   0.89345603  0.29006029  0.16100084
   0.61557345  0.19315052  0.48852346
   0.89637498  0.08806944  0.89185987
   0.62094900  0.44551343  0.61781785
   0.77349900  0.35032889  0.81639682
   0.58784441  0.67205633 -0.00763252
   0.89799300  0.61512078  0.37895832
   0.55120288  0.91631275  0.13113659
   0.81061862  0.84189357  0.24127998
   0.66150627  0.67825166  0.47909935
   0.85997236  0.63754103  0.90005769
   0.67463255  0.95359291  0.62082252
   0.86635508  0.85974023  0.76272692
   0.11244671  0.08559564  0.17688517
   0.34617989  0.20942150  0.28963093
   0.14937428  0.34320682  0.01161189
   0.42078659  0.43921064  0.34048351
   0.53981966  0.33420332  0.19198966
   0.29530028  0.42451308  0.16816570
   0.20850834  0.14864715  0.44053020
  -0.05083714  0.18026805  0.41350638
   0.05263468 -0.03576483  0.50283109
   0.45209049  0.22715269  0.77281369
   0.08426890  0.20849518  0.58283043
   0.35455310  0.46067691  0.84105205
   0.47972233  0.44636010  0.67234105
   0.24271054  0.34086206  0.69315786
   0.23653468  0.17616697 -0.12451277
   0.02746396  0.11406347  0.96628025
   0.12806162  0.58863267  0.09516112
   0.39339914  0.70889529  0.29723406
   0.14817012  0.84958547  0.06036468
   0.36321138  0.96006237  0.36662665
   0.39902692  0.93147231  0.18371297
   0.17064250  0.84224957  0.24970941
   0.33201041  0.62448244  0.46514364
   0.07335847  0.61391790  0.38082363
   0.15137644  0.46315152  0.54000426
   0.31525910  0.66415582  0.74624080
   0.10589661  0.71022966  0.56116552
   0.37314345  0.98326845  0.79875239
   0.51442791  0.92531968  0.63732771
   0.23617155  0.88866890  0.64366308
   0.25104534  0.66386632 -0.06168570
   0.00061440  0.70272867  0.93844799
   0.61422780  0.05782728  0.10572474
   0.84582855  0.19084301  0.24687098
   0.63423371  0.29071987  0.01683506
   0.84363315  0.45854164  0.38546308
   0.03272210  0.37207935  0.17930129
   0.77926318  0.42484417  0.14818267
   0.69168697  0.14464490  0.39503911
   0.45883005  0.15900025  0.46336617
   0.69003673  0.10529748  0.57925240
   0.87562094  0.21490766  0.81149122
   0.62523156  0.35193357  0.51970152
   0.84787224  0.47549779  0.86990683
   0.98237374  0.45097406  0.67879944
   0.72957372  0.38722117  0.70658379
   0.75923555  0.07008920  0.94418392
   0.48147912  0.09261643  0.94671301
   0.56498348  0.55571903  0.07343767
   0.86347589  0.69853303  0.27578064
   0.53079553  0.81551218  0.03996295
   0.83788852  0.95176282  0.33033643
   0.90925301  0.89086004  0.15359626
   0.65422166  0.85434557  0.20830661
   0.81697023  0.70396659  0.45799865
   0.59482337  0.60233443  0.39089571
   0.64952436  0.59998978  0.58401068
   0.83178953  0.71049076  0.79395907
   0.57408801  0.81296257  0.48969939
   0.94567280  0.94980871  0.84344531
   0.97254962  0.85912329  0.67673941
   0.73094060  0.95241862  0.73827826
   0.74898696  0.67800968  0.98347128
   0.50664222  0.68426735  0.88496550
   0.77727936  0.85070393  0.57324709
   0.48884759  0.80720552  0.52566638
   0.88590311  0.22477903  0.06538260
   0.90851045  0.38251343  0.38585638
   0.34036327  0.11424593  0.62282128
   0.26535911  0.76400138  0.72665851
   0.20839334  1.11706191  0.21228549
   0.25549055  1.12910239  0.05491400
   0.65284662  0.29503332  0.85587742
   0.89269255  0.43937878  0.67824825
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937269    0.100884   -0.206321
    -0.000000    9.876658    0.036261
    -0.000000    0.000000   13.846252
   Si   O    H 
    32    64    10
Direct configuration=  2728
   0.17140525  0.18727511 -0.01893402
   0.34772637  0.11903840  0.38570564
   0.14589883  0.43246812  0.11301756
   0.39495334  0.34832661  0.24292294
   0.06997221  0.12262711  0.48869245
   0.38793901  0.12517254  0.85031999
   0.10409228  0.36620178  0.63015397
   0.37828542  0.37439863  0.74568014
   0.13487739  0.70408472  0.00710082
   0.43036748  0.59136775  0.37441339
   0.08250259  0.91283563  0.15607708
   0.32607237  0.86216314  0.27890801
   0.16080608  0.60386100  0.48228879
   0.35502191  0.62093987  0.85629987
   0.08092575  0.86471779  0.59406219
   0.37223037  0.98163824  0.67751811
   0.62096927  0.13057340  0.99861781
   0.83392183  0.11302941  0.34821922
   0.62172129  0.40663284  0.10626659
   0.89310705  0.29083304  0.16049697
   0.61526072  0.19408309  0.48925970
   0.89706894  0.08857712  0.89231916
   0.62049228  0.44646262  0.61800923
   0.77392010  0.34917423  0.81649600
   0.58873874  0.67351505 -0.00803055
   0.89873531  0.61388693  0.37920610
   0.55147518  0.91637203  0.13056302
   0.81097958  0.84199209  0.24018239
   0.66155352  0.67914434  0.47963732
   0.85998525  0.63791595  0.90035215
   0.67469790  0.95308433  0.61999952
   0.86558723  0.86118114  0.76290690
   0.11296146  0.08459761  0.17708935
   0.34649958  0.20715257  0.28963155
   0.14943473  0.34263056  0.01149755
   0.41888653  0.43922055  0.34061259
   0.54029288  0.33417564  0.19072627
   0.29575036  0.42420099  0.16814312
   0.20897636  0.14899135  0.44116142
  -0.05075014  0.17925884  0.41279819
   0.05313233 -0.03547095  0.50402042
   0.45329914  0.22780532  0.77326853
   0.08337641  0.20820167  0.58212660
   0.35427865  0.45917065  0.84125111
   0.48034396  0.44451938  0.67261259
   0.24317109  0.34008066  0.69428026
   0.23752922  0.17901916 -0.12386689
   0.02753264  0.11484236  0.96754386
   0.12945420  0.59091530  0.09587002
   0.39321852  0.70768028  0.29659462
   0.14707229  0.85003600  0.06065570
   0.36370504  0.95993660  0.36741376
   0.39917443  0.93154802  0.18303401
   0.16960235  0.84236250  0.25033297
   0.33234282  0.62281223  0.46481049
   0.07177673  0.61328794  0.38060250
   0.15107847  0.46268882  0.54059941
   0.31434564  0.66535594  0.74603437
   0.10606028  0.71030643  0.56035390
   0.37241019  0.98555245  0.79865836
   0.51467312  0.92740164  0.63681544
   0.23635759  0.89027991  0.64289194
   0.24985831  0.66300011 -0.06210276
  -0.00057357  0.70622141  0.93808036
   0.61191309  0.05879106  0.10485758
   0.84582281  0.18895143  0.24529793
   0.63321267  0.29219966  0.01673614
   0.84286056  0.45752568  0.38563191
   0.03108171  0.37035919  0.17941865
   0.77864053  0.42487221  0.14795057
   0.69151684  0.14533090  0.39526513
   0.46167292  0.15756456  0.46399569
   0.68956221  0.10618114  0.57940345
   0.87772201  0.21606323  0.81178156
   0.62322372  0.35205088  0.52000742
   0.84839724  0.47494837  0.86928958
   0.98179877  0.45046432  0.67957631
   0.72937252  0.38711085  0.70615477
   0.75949247  0.07084321  0.94497439
   0.48318255  0.09112622  0.94659332
   0.56518148  0.55513164  0.07424206
   0.86297385  0.69981772  0.27646466
   0.53306357  0.81430342  0.03884568
   0.83733708  0.95215672  0.33122782
   0.91038174  0.89163430  0.15271926
   0.65533023  0.85543109  0.20875638
   0.81563527  0.70331933  0.45791992
   0.59405792  0.60353041  0.39065217
   0.65116745  0.60102183  0.58360684
   0.83205819  0.70820415  0.79264304
   0.57191475  0.81169142  0.48932533
   0.94690982  0.94850680  0.84334768
   0.97335317  0.86088618  0.67744012
   0.73209883  0.95417773  0.73801284
   0.75085331  0.67966263  0.98357746
   0.50668443  0.68535755  0.88475921
   0.77546685  0.85413423  0.56919863
   0.49934217  0.80350038  0.51700852
   0.88278050  0.21643693  0.07123275
   0.90556532  0.37458252  0.38759340
   0.35060507  0.11486065  0.62110316
   0.26796448  0.76673942  0.72941225
   0.19806378  1.11884491  0.21076521
   0.25161529  1.12739102  0.05349469
   0.64902682  0.29511126  0.86020969
   0.88433310  0.44477293  0.68091605
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937662    0.102712   -0.207628
    -0.000000    9.877939    0.033729
    -0.000000    0.000000   13.845379
   Si   O    H 
    32    64    10
Direct configuration=  2729
   0.17094015  0.18595880 -0.01916505
   0.34701856  0.11948718  0.38515519
   0.14653080  0.43132694  0.11276735
   0.39564801  0.34878541  0.24260847
   0.06886233  0.12302678  0.48958192
   0.38718022  0.12591353  0.85055211
   0.10229738  0.36558045  0.63007557
   0.37765712  0.37341317  0.74465203
   0.13578041  0.70593606  0.00714880
   0.42930876  0.59006271  0.37466530
   0.08290216  0.91379977  0.15612700
   0.32591941  0.86258287  0.27828168
   0.15950588  0.60408136  0.48315309
   0.35530241  0.62129339  0.85715511
   0.08204003  0.86409089  0.59335177
   0.37202702  0.98275272  0.67799301
   0.61987996  0.13117674  0.99871109
   0.83346594  0.11271299  0.34778062
   0.62256634  0.40667363  0.10695205
   0.89288398  0.29136796  0.16027212
   0.61485802  0.19507106  0.49028782
   0.89834603  0.08945458  0.89288974
   0.61968847  0.44771710  0.61868611
   0.77429298  0.34827114  0.81633525
   0.58939417  0.67426177 -0.00807191
   0.89949929  0.61258506  0.37904671
   0.55183405  0.91658518  0.13032017
   0.81115546  0.84216729  0.23903771
   0.66059610  0.67957353  0.48038818
   0.85964226  0.63813913  0.90090771
   0.67404373  0.95240854  0.61922727
   0.86487182  0.86273992  0.76296498
   0.11266252  0.08327628  0.17737497
   0.34675834  0.20511220  0.28920176
   0.15004457  0.34322893  0.01138036
   0.41759851  0.43971295  0.34051474
   0.54040683  0.33426722  0.18969591
   0.29579155  0.42463660  0.16807926
   0.21086473  0.14900186  0.44180653
  -0.05060480  0.17896794  0.41223878
   0.05357868 -0.03515935  0.50540889
   0.45490070  0.22822785  0.77344998
   0.08266813  0.20765953  0.58164122
   0.35418948  0.45797991  0.84137827
   0.48057254  0.44307278  0.67275572
   0.24290621  0.33882023  0.69538729
   0.23887967  0.18166576 -0.12291009
   0.02761481  0.11598427  0.96830461
   0.13149788  0.59337116  0.09647022
   0.39341424  0.70700645  0.29598097
   0.14621182  0.84995006  0.06049759
   0.36490902  0.95929798  0.36848216
   0.39997100  0.93176216  0.18336718
   0.16789490  0.84262583  0.25174238
   0.33225409  0.62167092  0.46413785
   0.07016420  0.61227855  0.37991772
   0.15074090  0.46178025  0.54063942
   0.31317628  0.66741944  0.74596018
   0.10597944  0.71119897  0.55964672
   0.37142097  0.98684621  0.79775431
   0.51480873  0.92850940  0.63616660
   0.23675468  0.89170640  0.64203966
   0.24937071  0.66236992 -0.06264722
  -0.00156276  0.70940979  0.93777308
   0.60949367  0.05943962  0.10395821
   0.84638755  0.18782137  0.24405409
   0.63200725  0.29370636  0.01659937
   0.84199442  0.45705253  0.38542509
   0.02962664  0.36872019  0.17963388
   0.77731640  0.42422067  0.14788903
   0.69152575  0.14611038  0.39574105
   0.46432206  0.15617589  0.46466246
   0.68885020  0.10697793  0.57945341
   0.88018638  0.21691741  0.81232610
   0.62048804  0.35265067  0.52009200
   0.84812948  0.47397510  0.86868214
   0.98230308  0.44978845  0.68006205
   0.72847808  0.38714273  0.70556666
   0.75887553  0.07138673  0.94528231
   0.48422321  0.09017012  0.94585646
   0.56464415  0.55496608  0.07487999
   0.86265645  0.70050780  0.27729018
   0.53514003  0.81291391  0.03792699
   0.83678024  0.95237365  0.33187091
   0.91203926  0.89226542  0.15231034
   0.65542411  0.85525913  0.20967121
   0.81493521  0.70206133  0.45824763
   0.59219268  0.60433558  0.39057455
   0.65228576  0.60190131  0.58362917
   0.83231530  0.70602949  0.79183224
   0.57174400  0.81173192  0.48822312
   0.94752861  0.94753101  0.84367766
   0.97384294  0.86333779  0.67762264
   0.73281121  0.95600135  0.73760967
   0.75324704  0.68030591  0.98358961
   0.50753513  0.68580159  0.88463431
   0.77097112  0.85929710  0.57021296
   0.46815453  0.79647961  0.52509196
   0.88159691  0.20955842  0.07838093
   0.89526417  0.37118026  0.38795340
   0.35814204  0.11124954  0.62341337
   0.27208438  0.75520880  0.73168233
   0.18529866  1.11890937  0.20708527
   0.24845850  1.12373050  0.05631291
   0.64597256  0.29772028  0.86406325
   0.87580160  0.44671351  0.68490712
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937959    0.103993   -0.209066
    -0.000000    9.879449    0.031170
    -0.000000    0.000000   13.844193
   Si   O    H 
    32    64    10
Direct configuration=  2730
   0.17046827  0.18527128 -0.01894527
   0.34667982  0.12041759  0.38500867
   0.14747669  0.43054172  0.11297431
   0.39611511  0.34888419  0.24229527
   0.06859207  0.12333215  0.48995587
   0.38619481  0.12731878  0.85054543
   0.10072229  0.36486855  0.62999971
   0.37767188  0.37269138  0.74379184
   0.13672081  0.70760337  0.00748912
   0.42858226  0.58929453  0.37465094
   0.08357735  0.91492240  0.15662030
   0.32535954  0.86260510  0.27756875
   0.15912111  0.60477032  0.48394695
   0.35616327  0.62173516  0.85752327
   0.08307901  0.86277099  0.59284793
   0.37131579  0.98374682  0.67872758
   0.61989388  0.13173766  0.99873467
   0.83307030  0.11231687  0.34725489
   0.62286869  0.40711670  0.10777371
   0.89238963  0.29179996  0.16025545
   0.61516739  0.19568648  0.49088035
   0.89958008  0.09079925  0.89356475
   0.61932416  0.44858073  0.61953319
   0.77336515  0.34730383  0.81601584
   0.58992615  0.67508669 -0.00749794
   0.90022419  0.61204953  0.37922014
   0.55187199  0.91674297  0.13001988
   0.81175988  0.84333233  0.23799886
   0.65927589  0.68048059  0.48123690
   0.85940808  0.63806007  0.90109553
   0.67320345  0.95217986  0.61858481
   0.86493077  0.86362076  0.76280740
   0.11091933  0.08084570  0.17699749
   0.34660478  0.20297371  0.28829296
   0.15014796  0.34409559  0.01108019
   0.41630584  0.43922638  0.34014867
   0.54049127  0.33450683  0.18837319
   0.29485852  0.42491842  0.16814905
   0.21251189  0.15008859  0.44268615
  -0.05027195  0.17891741  0.41258229
   0.05268537 -0.03532332  0.50644506
   0.45672695  0.22892578  0.77282050
   0.08186660  0.20826434  0.58228155
   0.35439525  0.45775607  0.84112843
   0.48087969  0.44220353  0.67317366
   0.24171434  0.33789961  0.69646193
   0.24050012  0.18452560 -0.12208359
   0.02636614  0.11722861  0.96807188
   0.13286720  0.59527940  0.09669765
   0.39373147  0.70700625  0.29562314
   0.14470332  0.84969637  0.06028963
   0.36507216  0.95842388  0.36962232
   0.40153950  0.93243298  0.18332389
   0.16551443  0.84225357  0.25213344
   0.33187855  0.62018994  0.46413634
   0.06869498  0.61238266  0.37943325
   0.14998541  0.46064460  0.54068064
   0.31143651  0.66818835  0.74644256
   0.10606774  0.71175548  0.55904638
   0.37070001  0.98741490  0.79685415
   0.51493763  0.93017573  0.63506999
   0.23658974  0.89272693  0.64083117
   0.24889606  0.66227438 -0.06372752
  -0.00321516  0.71178644  0.93761944
   0.60803067  0.05988954  0.10299808
   0.84664483  0.18667114  0.24286204
   0.63044862  0.29554644  0.01669127
   0.84077150  0.45624683  0.38518541
   0.02902521  0.36681129  0.17991610
   0.77670615  0.42402261  0.14811133
   0.69086805  0.14706504  0.39596992
   0.46609042  0.15520630  0.46565159
   0.68718863  0.10805241  0.57990865
   0.88237484  0.21768685  0.81293336
   0.61830380  0.35303781  0.52073733
   0.84767470  0.47384986  0.86751600
   0.98306614  0.44938561  0.68037943
   0.72637254  0.38759984  0.70421256
   0.75762999  0.07173533  0.94574141
   0.48618676  0.08945814  0.94480155
   0.56416907  0.55468323  0.07502036
   0.86209171  0.70069803  0.27816025
   0.53801987  0.81193282  0.03683740
   0.83704079  0.95250498  0.33274861
   0.91419077  0.89251789  0.15174720
   0.65557061  0.85444416  0.21029156
   0.81417047  0.70168596  0.45862016
   0.58962057  0.60465749  0.39058752
   0.65330311  0.60251010  0.58376511
   0.83298549  0.70441305  0.79139003
   0.56992536  0.81221135  0.48715883
   0.94746918  0.94602138  0.84380423
   0.97445084  0.86556992  0.67756960
   0.73329321  0.95756068  0.73689016
   0.75538694  0.68094683  0.98362147
   0.50796459  0.68531589  0.88475872
   0.76321500  0.86408316  0.57330517
   0.45711721  0.78934096  0.52788722
   0.88119956  0.20332689  0.07916025
   0.88711257  0.37309544  0.38385988
   0.36231070  0.10754308  0.62477500
   0.27373933  0.75192041  0.73285414
   0.18860770  1.12419394  0.20749212
   0.24944824  1.11974341  0.06029539
   0.64717139  0.30304562  0.86507329
   0.87752841  0.44930720  0.68751123
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938803    0.104857   -0.210285
    -0.000000    9.880684    0.028339
    -0.000000    0.000000   13.842961
   Si   O    H 
    32    64    10
Direct configuration=  2731
   0.17027033  0.18439896 -0.01877903
   0.34662074  0.12076472  0.38526486
   0.14820752  0.42939752  0.11308445
   0.39598125  0.34844171  0.24207286
   0.06848715  0.12433667  0.48983573
   0.38586693  0.12831193  0.85077069
   0.09952075  0.36415561  0.63001300
   0.37783529  0.37187341  0.74349194
   0.13760594  0.70913422  0.00766716
   0.42823262  0.58900937  0.37411447
   0.08423907  0.91550185  0.15740125
   0.32439458  0.86279614  0.27688802
   0.15937370  0.60529968  0.48454276
   0.35706868  0.62243674  0.85739069
   0.08417985  0.86192213  0.59280966
   0.37081498  0.98473068  0.67924897
   0.62049274  0.13256289  0.99897394
   0.83278340  0.11109519  0.34672791
   0.62385669  0.40732995  0.10813801
   0.89159762  0.29191267  0.16037719
   0.61592876  0.19587431  0.49184981
   0.90058280  0.09130739  0.89395187
   0.61909658  0.44963101  0.62032191
   0.77210653  0.34676674  0.81575154
   0.59084319  0.67593324 -0.00704062
   0.90077919  0.61154804  0.37900613
   0.55138358  0.91644040  0.12971173
   0.81268337  0.84510476  0.23699927
   0.65789193  0.68131432  0.48175165
   0.85917545  0.63813605  0.90121030
   0.67193728  0.95210445  0.61805555
   0.86472886  0.86414759  0.76254713
   0.10934531  0.07808552  0.17651205
   0.34596300  0.20111124  0.28713604
   0.15007261  0.34493350  0.01101458
   0.41414468  0.43855009  0.33910091
   0.53898213  0.33494018  0.18746376
   0.29365981  0.42496643  0.16800144
   0.21422586  0.15096709  0.44351788
  -0.04993718  0.17853337  0.41285235
   0.05178063 -0.03532116  0.50733611
   0.45820706  0.22907393  0.77247330
   0.08081598  0.20922011  0.58345783
   0.35412657  0.45793909  0.84160017
   0.48093338  0.44105121  0.67392848
   0.23940325  0.33776542  0.69669565
   0.24118772  0.18765022 -0.12199115
   0.02452126  0.11832373  0.96761531
   0.13359172  0.59733596  0.09655819
   0.39430750  0.70764788  0.29591497
   0.14405341  0.84965332  0.06026865
   0.36428299  0.95714168  0.37112329
   0.40350861  0.93369276  0.18365475
   0.16370216  0.84181827  0.25279058
   0.33041220  0.61836469  0.46464861
   0.06705676  0.61176735  0.37918160
   0.14924500  0.45873608  0.54076052
   0.31050279  0.66787417  0.74630294
   0.10597828  0.71172036  0.55804695
   0.36923681  0.98772145  0.79566265
   0.51457379  0.93122508  0.63410711
   0.23681212  0.89333042  0.64061349
   0.24833070  0.66203536 -0.06498623
  -0.00441103  0.71382547  0.93797879
   0.60679836  0.06188470  0.10234692
   0.84658953  0.18620844  0.24144666
   0.62952328  0.29788462  0.01728301
   0.83887414  0.45656960  0.38485435
   0.02810870  0.36488575  0.18003586
   0.77554177  0.42378512  0.14920553
   0.69101579  0.14704844  0.39627900
   0.46717625  0.15431894  0.46721051
   0.68521509  0.10814885  0.57956806
   0.88434444  0.21827125  0.81375098
   0.61669420  0.35335000  0.52130704
   0.84803266  0.47399290  0.86690062
   0.98341050  0.44924883  0.68046735
   0.72428778  0.38898117  0.70260290
   0.75622137  0.07147238  0.94661027
   0.48748630  0.08908143  0.94343381
   0.56339291  0.55374304  0.07482200
   0.86153012  0.69991107  0.27949514
   0.54131292  0.81241152  0.03623008
   0.83730719  0.95286084  0.33351315
   0.91609245  0.89306871  0.15156116
   0.65548529  0.85307154  0.21162371
   0.81466616  0.70089992  0.45881904
   0.58685721  0.60529294  0.39021674
   0.65391565  0.60268009  0.58387738
   0.83350724  0.70357779  0.79077772
   0.56694740  0.81289214  0.48671868
   0.94747721  0.94558776  0.84382918
   0.97454411  0.86695172  0.67695434
   0.73328064  0.95891351  0.73527188
   0.75728161  0.68096180  0.98353388
   0.50880754  0.68415107  0.88480184
   0.76118744  0.86741007  0.57611600
   0.46083041  0.78186746  0.52745022
   0.88477595  0.19725383  0.07698075
   0.88016842  0.37014977  0.37912004
   0.36441112  0.10989918  0.62549151
   0.26800705  0.76384892  0.72987401
   0.19123056  1.12342707  0.20928848
   0.25073211  1.11594159  0.06170965
   0.65369367  0.31027858  0.86273521
   0.88944376  0.44920494  0.68527731
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939232    0.105804   -0.211419
    -0.000000    9.881465    0.025725
    -0.000000    0.000000   13.841784
   Si   O    H 
    32    64    10
Direct configuration=  2732
   0.17012026  0.18413344 -0.01828675
   0.34677425  0.12089484  0.38615436
   0.14833971  0.42847007  0.11275723
   0.39547997  0.34799425  0.24186776
   0.06831074  0.12540515  0.48931192
   0.38586166  0.12978183  0.85086149
   0.09862212  0.36326958  0.62947078
   0.37799865  0.37131388  0.74353626
   0.13752535  0.71055103  0.00804460
   0.42732166  0.58922425  0.37355604
   0.08465057  0.91606616  0.15829520
   0.32406738  0.86289208  0.27631423
   0.15963779  0.60508497  0.48498736
   0.35813153  0.62306078  0.85678633
   0.08496045  0.86137225  0.59251453
   0.37019633  0.98535291  0.67944376
   0.62187051  0.13382810  0.99884200
   0.83266781  0.11002970  0.34597456
   0.62447444  0.40774868  0.10793381
   0.89008108  0.29209899  0.15993338
   0.61680904  0.19609506  0.49285234
   0.90135091  0.09168170  0.89370830
   0.61904960  0.45049163  0.62077166
   0.77064109  0.34608670  0.81559014
   0.59227096  0.67679852 -0.00696429
   0.90144238  0.61105767  0.37868807
   0.55131555  0.91603588  0.12916044
   0.81409374  0.84648272  0.23628099
   0.65679321  0.68259283  0.48218016
   0.85990722  0.63826263  0.90144090
   0.67059843  0.95226779  0.61807128
   0.86481842  0.86479434  0.76268759
   0.10824007  0.07515466  0.17565087
   0.34522493  0.20012193  0.28599200
   0.14966399  0.34579486  0.01081512
   0.41325386  0.43748022  0.33831046
   0.53707798  0.33482387  0.18708403
   0.29245361  0.42520391  0.16760604
   0.21599780  0.15218471  0.44364723
  -0.04932418  0.17794685  0.41345047
   0.05095544 -0.03621752  0.50832300
   0.46024455  0.22947643  0.77226420
   0.07949412  0.20963083  0.58542841
   0.35491519  0.45767116  0.84287353
   0.48054730  0.43955938  0.67498281
   0.23649930  0.33830031  0.69688550
   0.24163857  0.19013612 -0.12252513
   0.02303096  0.11929422  0.96732088
   0.13412566  0.59884912  0.09612965
   0.39517211  0.70813813  0.29569267
   0.14367127  0.84989785  0.06056822
   0.36372691  0.95531752  0.37258990
   0.40549203  0.93522463  0.18389870
   0.16243612  0.84162686  0.25328477
   0.32923355  0.61637862  0.46573925
   0.06508726  0.61103339  0.37902053
   0.14814814  0.45764563  0.54116076
   0.30934018  0.66844326  0.74576312
   0.10539462  0.71206432  0.55675909
   0.36848552  0.98799135  0.79476519
   0.51304784  0.93178866  0.63348356
   0.23691058  0.89316890  0.64102608
   0.24761195  0.66197479 -0.06617916
  -0.00482387  0.71529608  0.93881202
   0.60571805  0.06373081  0.10136069
   0.84663048  0.18550444  0.24065761
   0.62873397  0.30004493  0.01744516
   0.83699529  0.45690445  0.38487808
   0.02746866  0.36309759  0.18047822
   0.77484396  0.42274401  0.15007605
   0.69088192  0.14680173  0.39659887
   0.46763943  0.15347143  0.46821245
   0.68379149  0.10875251  0.57923704
   0.88601815  0.21875984  0.81453312
   0.61521284  0.35331768  0.52137758
   0.84807991  0.47372364  0.86578027
   0.98391900  0.44913144  0.68035680
   0.72259697  0.39039404  0.70088350
   0.75491698  0.07077173  0.94787287
   0.48828195  0.08902182  0.94132877
   0.56222863  0.55415244  0.07434278
   0.86174267  0.69810477  0.28101436
   0.54306336  0.81367187  0.03657215
   0.83774390  0.95296747  0.33349961
   0.91786717  0.89383099  0.15178174
   0.65526690  0.85154260  0.21270442
   0.81554236  0.69980248  0.45895546
   0.58474371  0.60524426  0.39032441
   0.65505742  0.60211141  0.58419064
   0.83449995  0.70297303  0.79010185
   0.56386494  0.81351631  0.48626486
   0.94796724  0.94512259  0.84375540
   0.97441183  0.86875710  0.67611033
   0.73285396  0.96065919  0.73367760
   0.75896667  0.67991441  0.98320252
   0.50953534  0.68219621  0.88469428
   0.76371223  0.86554983  0.57332944
   0.47837042  0.77896789  0.52333102
   0.88835429  0.19655207  0.07475719
   0.87888803  0.36590099  0.37582744
   0.36494754  0.11299025  0.62618189
   0.26789020  0.76658378  0.72748518
   0.19049288  1.11942190  0.20665450
   0.25343798  1.11814825  0.05894359
   0.65530139  0.31478902  0.86379342
   0.89412279  0.44793169  0.68334953
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939429    0.107011   -0.212315
    -0.000000    9.882289    0.023942
    -0.000000    0.000000   13.840497
   Si   O    H 
    32    64    10
Direct configuration=  2733
   0.17040612  0.18405836 -0.01752369
   0.34716255  0.12024923  0.38739847
   0.14872540  0.42832581  0.11233638
   0.39533693  0.34762481  0.24181688
   0.06821196  0.12703333  0.48836192
   0.38668815  0.13121458  0.85091118
   0.09810885  0.36230858  0.62904807
   0.37865036  0.37028911  0.74336782
   0.13723070  0.71178644  0.00850923
   0.42663400  0.58937105  0.37245436
   0.08517907  0.91659311  0.15931933
   0.32379804  0.86220282  0.27546719
   0.16020390  0.60394985  0.48520801
   0.35947600  0.62333130  0.85594079
   0.08559166  0.86109795  0.59236732
   0.36999328  0.98570348  0.67945347
   0.62330750  0.13557279  0.99899477
   0.83228113  0.10870560  0.34516576
   0.62498865  0.40816705  0.10749045
   0.88803512  0.29270140  0.15922774
   0.61775158  0.19607841  0.49372034
   0.90152140  0.09213403  0.89371320
   0.61921864  0.45156029  0.62079995
   0.76963223  0.34557100  0.81551792
   0.59372685  0.67836118 -0.00693487
   0.90159442  0.61048810  0.37816528
   0.55148122  0.91554338  0.12885486
   0.81592565  0.84847969  0.23629564
   0.65592024  0.68345568  0.48201758
   0.86118906  0.63843565  0.90127932
   0.66902132  0.95277196  0.61896279
   0.86492815  0.86485393  0.76227546
   0.10727273  0.07345025  0.17531288
   0.34479752  0.19887322  0.28552312
   0.14783312  0.34599151  0.01050227
   0.41258432  0.43630282  0.33775869
   0.53562334  0.33501368  0.18670030
   0.29190208  0.42509788  0.16812112
   0.21720312  0.15260985  0.44378155
  -0.04955527  0.17743683  0.41467663
   0.05073978 -0.03710380  0.50936793
   0.46168773  0.23020209  0.77237775
   0.07758810  0.21021089  0.58749382
   0.35567494  0.45738588  0.84453704
   0.48104185  0.43919059  0.67543264
   0.23421886  0.33944933  0.69720850
   0.24177175  0.19175623 -0.12315721
   0.02150176  0.11965023  0.96719133
   0.13434201  0.59956256  0.09560212
   0.39575126  0.70932882  0.29532449
   0.14380151  0.85051334  0.06090124
   0.36273696  0.95267775  0.37351545
   0.40736803  0.93602420  0.18362041
   0.16167037  0.84261219  0.25379606
   0.32737523  0.61535598  0.46727025
   0.06300972  0.61024791  0.37956245
   0.14678013  0.45721189  0.54125054
   0.30833291  0.66939841  0.74548274
   0.10433619  0.71194453  0.55569851
   0.36858413  0.98771012  0.79361266
   0.51160329  0.93165007  0.63312540
   0.23692889  0.89248468  0.64117687
   0.24630699  0.66246355 -0.06742183
  -0.00466203  0.71675027  0.93981311
   0.60449973  0.06524208  0.10052330
   0.84596313  0.18409931  0.23936217
   0.62595953  0.30147038  0.01708776
   0.83508542  0.45730564  0.38480459
   0.02809507  0.36216944  0.18067237
   0.77459906  0.42087767  0.15038037
   0.69119015  0.14716274  0.39707177
   0.46798711  0.15342926  0.46979004
   0.68216038  0.10932587  0.57900104
   0.88735326  0.21985594  0.81508555
   0.61416060  0.35357297  0.52208474
   0.84786965  0.47342550  0.86475890
   0.98568539  0.44942800  0.68022617
   0.72198404  0.39188257  0.69973795
   0.75431736  0.07041771  0.94889423
   0.48908561  0.08986244  0.93927888
   0.56164073  0.55478477  0.07369925
   0.86238589  0.69680151  0.28160948
   0.54402631  0.81526745  0.03714034
   0.83786091  0.95304680  0.33324321
   0.91993383  0.89537622  0.15194700
   0.65473102  0.85006961  0.21360202
   0.81544886  0.69894317  0.45878453
   0.58279935  0.60523785  0.39042341
   0.65451707  0.60156119  0.58468386
   0.83580773  0.70227606  0.78943905
   0.55968914  0.81320714  0.48620009
   0.94851889  0.94437544  0.84354149
   0.97338603  0.86949874  0.67550143
   0.73328074  0.96087077  0.73219232
   0.75948099  0.67888259  0.98357045
   0.51093447  0.68037482  0.88471952
   0.77217848  0.85998431  0.56701096
   0.49818392  0.78224630  0.51754737
   0.89130873  0.19851408  0.07324352
   0.87600790  0.36782274  0.37243378
   0.36033762  0.11811571  0.62823424
   0.27360581  0.76039490  0.72694737
   0.18255667  1.11128255  0.20426655
   0.25376480  1.12040973  0.05484381
   0.64935437  0.31374612  0.86820743
   0.87821994  0.44375897  0.68050610
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939768    0.107890   -0.213406
    -0.000000    9.883149    0.022491
    -0.000000    0.000000   13.839437
   Si   O    H 
    32    64    10
Direct configuration=  2734
   0.17047843  0.18438099 -0.01670105
   0.34747137  0.11930712  0.38846740
   0.14917816  0.42828451  0.11206334
   0.39513697  0.34711970  0.24194870
   0.06802638  0.12863809  0.48723217
   0.38758413  0.13249022  0.85052344
   0.09752311  0.36140109  0.62862187
   0.37889979  0.36908039  0.74349936
   0.13647615  0.71247201  0.00906170
   0.42548302  0.58973610  0.37143193
   0.08580325  0.91698013  0.16041932
   0.32407049  0.86081978  0.27484975
   0.16088588  0.60193216  0.48518572
   0.36062035  0.62341364  0.85444801
   0.08682215  0.86107396  0.59232230
   0.37001739  0.98621956  0.67910397
   0.62445168  0.13661037  0.99894617
   0.83212162  0.10774614  0.34432153
   0.62526625  0.40876876  0.10716184
   0.88555377  0.29290371  0.15824132
   0.61909379  0.19587156  0.49464289
   0.90119115  0.09242875  0.89373826
   0.61911016  0.45216386  0.62083482
   0.76844810  0.34510113  0.81520047
   0.59494884  0.67975603 -0.00724808
   0.90154314  0.60988092  0.37783235
   0.55149090  0.91417133  0.12881093
   0.81747840  0.84957867  0.23670205
   0.65626580  0.68480538  0.48169913
   0.86231854  0.63845201  0.90061010
   0.66760781  0.95366878  0.61961562
   0.86466615  0.86450280  0.76184367
   0.10567753  0.07238540  0.17486987
   0.34442374  0.19737385  0.28465796
   0.14575383  0.34644236  0.01046692
   0.41167480  0.43459858  0.33743447
   0.53470983  0.33531042  0.18586924
   0.29148659  0.42372234  0.16849285
   0.21801199  0.15217365  0.44433499
  -0.05052243  0.17741503  0.41518585
   0.05048855 -0.03842759  0.50997718
   0.46259186  0.23097918  0.77253912
   0.07545586  0.20975642  0.58938094
   0.35728558  0.45671092  0.84633672
   0.48134829  0.43920192  0.67566693
   0.23195161  0.34041389  0.69707890
   0.24187461  0.19303246 -0.12350593
   0.02025652  0.12030399  0.96713265
   0.13408968  0.59966493  0.09519940
   0.39511979  0.71152541  0.29436737
   0.14395439  0.85113084  0.06137050
   0.36060354  0.95127367  0.37432463
   0.40860858  0.93659471  0.18286353
   0.16078738  0.84327283  0.25448795
   0.32487466  0.61495874  0.46772025
   0.06196591  0.60916500  0.38070893
   0.14593363  0.45682341  0.54141380
   0.30758341  0.67010376  0.74553237
   0.10393502  0.71273614  0.55519827
   0.36903632  0.98732454  0.79250947
   0.50961267  0.93139683  0.63287688
   0.23788603  0.89211743  0.64183383
   0.24461126  0.66259732 -0.06874473
  -0.00477957  0.71796577  0.94071644
   0.60274298  0.06562018  0.10007516
   0.84478130  0.18257877  0.23920407
   0.62327640  0.30312927  0.01664388
   0.83409553  0.45854617  0.38515935
   0.02962770  0.36153210  0.18174520
   0.77483501  0.41923026  0.15091702
   0.69106438  0.14802904  0.39722969
   0.46714921  0.15360534  0.47099483
   0.68071140  0.10974943  0.57877758
   0.88905643  0.22138716  0.81537965
   0.61333818  0.35409914  0.52283556
   0.84771810  0.47421471  0.86322983
   0.98700067  0.44981309  0.68017995
   0.72190656  0.39291995  0.69853686
   0.75387513  0.07060868  0.94999559
   0.48946468  0.09100552  0.93769925
   0.56083283  0.55662768  0.07260138
   0.86280742  0.69642911  0.28182739
   0.54513793  0.81759164  0.03757479
   0.83731445  0.95326104  0.33333291
   0.92228762  0.89587968  0.15187048
   0.65468908  0.84949810  0.21425543
   0.81620873  0.69827146  0.45934764
   0.58095886  0.60502315  0.39080404
   0.65399497  0.60055028  0.58556080
   0.83773763  0.70198812  0.78894886
   0.55790222  0.81462866  0.48432096
   0.94892228  0.94393420  0.84373441
   0.97194559  0.87029033  0.67502000
   0.73473193  0.96075735  0.73104928
   0.76090727  0.67803920  0.98402967
   0.51273911  0.67813447  0.88517819
   0.77433643  0.86011249  0.56295793
   0.47279461  0.77066399  0.52976639
   0.89395356  0.20693976  0.07156872
   0.87686766  0.37299776  0.37154089
   0.35761379  0.12246535  0.63192639
   0.27994628  0.75267998  0.72722158
   0.18551538  1.10550792  0.20455946
   0.25474913  1.12223425  0.04971041
   0.64521445  0.31383318  0.87276911
   0.87350873  0.44206189  0.67798630
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939622    0.108871   -0.214262
    -0.000000    9.883655    0.021377
    -0.000000    0.000000   13.838340
   Si   O    H 
    32    64    10
Direct configuration=  2735
   0.16981026  0.18530316 -0.01601727
   0.34840740  0.11809917  0.38986631
   0.14915095  0.42784658  0.11209968
   0.39493708  0.34606327  0.24212797
   0.06814404  0.12997425  0.48578146
   0.38887597  0.13340313  0.85018920
   0.09717002  0.36071681  0.62800081
   0.37981326  0.36842458  0.74348825
   0.13589153  0.71286033  0.00908096
   0.42441438  0.59039888  0.37088009
   0.08608665  0.91783230  0.16129902
   0.32463430  0.86019829  0.27431330
   0.16111697  0.59957601  0.48532760
   0.36137091  0.62273030  0.85289314
   0.08815874  0.86131080  0.59311367
   0.36924296  0.98707503  0.67775763
   0.62583810  0.13733252  0.99842196
   0.83200938  0.10754542  0.34376974
   0.62523279  0.40909779  0.10698029
   0.88319844  0.29289737  0.15772555
   0.62048534  0.19578314  0.49538114
   0.90046283  0.09260480  0.89343749
   0.61927183  0.45159425  0.62090365
   0.76727724  0.34426742  0.81495818
   0.59598468  0.68112789 -0.00761059
   0.90149455  0.60982352  0.37779410
   0.55195383  0.91319674  0.12884972
   0.81948808  0.85022639  0.23745949
   0.65659860  0.68628219  0.48142915
   0.86346596  0.63801756  0.89984365
   0.66676595  0.95439039  0.62002974
   0.86502472  0.86436280  0.76140851
   0.10365188  0.07182257  0.17439357
   0.34470259  0.19562774  0.28383993
   0.14457416  0.34725817  0.01062412
   0.41038764  0.43317297  0.33739877
   0.53374979  0.33536791  0.18481721
   0.29191704  0.42241681  0.16892032
   0.21844745  0.15106464  0.44498850
  -0.05148285  0.17719108  0.41625663
   0.05018618 -0.03876311  0.51028564
   0.46345050  0.23202295  0.77337769
   0.07266368  0.20927936  0.59051645
   0.35920257  0.45609179  0.84804818
   0.48124239  0.43934574  0.67558555
   0.22962881  0.34138002  0.69719609
   0.24149679  0.19375726 -0.12315130
   0.01988900  0.12134119  0.96761843
   0.13352709  0.59920350  0.09451615
   0.39402607  0.71363622  0.29348394
   0.14388109  0.85305865  0.06194518
   0.35771435  0.94968039  0.37483469
   0.40979789  0.93634978  0.18276611
   0.16057442  0.84387029  0.25449560
   0.32265983  0.61502786  0.46810345
   0.06198856  0.60766113  0.38224182
   0.14476897  0.45732155  0.54122672
   0.30712120  0.66876174  0.74599111
   0.10426841  0.71374132  0.55463385
   0.36949251  0.98617384  0.79126738
   0.50682800  0.93132678  0.63263220
   0.23891629  0.89135885  0.64204245
   0.24387725  0.66356146 -0.06967378
  -0.00435697  0.71945314  0.94220127
   0.60134399  0.06563349  0.09978614
   0.84350130  0.18208240  0.23944387
   0.62097013  0.30390891  0.01650447
   0.83372436  0.45939705  0.38521926
   0.03137500  0.36130679  0.18235497
   0.77522829  0.41735044  0.15160739
   0.69135675  0.14901370  0.39697530
   0.46600178  0.15462239  0.47202118
   0.68028518  0.10813827  0.57810856
   0.89032317  0.22281659  0.81533814
   0.61303611  0.35464738  0.52331310
   0.84678444  0.47499265  0.86241585
   0.98732956  0.45122852  0.67983373
   0.72274702  0.39363204  0.69833871
   0.75399134  0.07104413  0.95075047
   0.48953261  0.09229207  0.93664718
   0.55976710  0.55781864  0.07191889
   0.86305610  0.69605414  0.28144025
   0.54628596  0.81975921  0.03795396
   0.83717768  0.95356763  0.33287427
   0.92406913  0.89554908  0.15190030
   0.65477620  0.84897571  0.21468909
   0.81714408  0.69804738  0.46049256
   0.57916280  0.60437337  0.39108967
   0.65447616  0.59896255  0.58659109
   0.83987555  0.70236510  0.78896478
   0.55572047  0.81554350  0.48266694
   0.94819994  0.94373224  0.84459453
   0.97074218  0.87051959  0.67416088
   0.73603639  0.96096080  0.72987200
   0.76244998  0.67766034  0.98499277
   0.51428861  0.67700476  0.88570679
   0.77141439  0.86587260  0.56088281
   0.45481298  0.76524214  0.53533116
   0.89278964  0.21577807  0.07054016
   0.87834632  0.37748630  0.37115664
   0.35321374  0.12281183  0.63508959
   0.27759222  0.76843711  0.72038731
   0.19573577  1.10522453  0.20882875
   0.25964110  1.12099905  0.04738683
   0.64370679  0.31188864  0.87693475
   0.88273301  0.44007611  0.67407883
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939894    0.109567   -0.214697
    -0.000000    9.884549    0.020153
    -0.000000    0.000000   13.836466
   Si   O    H 
    32    64    10
Direct configuration=  2736
   0.16881780  0.18618469 -0.01571652
   0.34986577  0.11594211  0.39097323
   0.14856718  0.42768507  0.11263175
   0.39445197  0.34455852  0.24196736
   0.06817216  0.13096606  0.48463035
   0.38989952  0.13412992  0.84982407
   0.09806171  0.36032052  0.62791903
   0.37974057  0.36821499  0.74382488
   0.13517580  0.71300304  0.00872418
   0.42375367  0.59126748  0.37024041
   0.08588719  0.91835517  0.16192357
   0.32491183  0.85952762  0.27391753
   0.16115939  0.59719234  0.48523286
   0.36169654  0.62217508  0.85154689
   0.08956026  0.86197492  0.59414311
   0.36836485  0.98787515  0.67622165
   0.62628669  0.13799500  0.99786119
   0.83187267  0.10822700  0.34351237
   0.62497615  0.40905248  0.10652034
   0.88102877  0.29255172  0.15734327
   0.62106270  0.19595822  0.49615518
   0.89945111  0.09234720  0.89295068
   0.61944206  0.45024259  0.62066364
   0.76604989  0.34362716  0.81484596
   0.59690628  0.68196843 -0.00804555
   0.90068082  0.60982653  0.37801470
   0.55253760  0.91283447  0.12926562
   0.82133404  0.85058390  0.23831014
   0.65675912  0.68775798  0.48139744
   0.86474561  0.63722103  0.89869723
   0.66570309  0.95507971  0.62018664
   0.86563347  0.86427976  0.76065623
   0.10298012  0.07291550  0.17446330
   0.34445350  0.19404723  0.28277966
   0.14387808  0.34827032  0.01123709
   0.40894644  0.43211717  0.33774353
   0.53305973  0.33396188  0.18387231
   0.29179008  0.42116177  0.16877966
   0.21787975  0.15028463  0.44490278
  -0.05171449  0.17728926  0.41679296
   0.04965658 -0.03814052  0.50951089
   0.46451739  0.23304059  0.77395021
   0.07005272  0.20837760  0.59088595
   0.36181518  0.45571022  0.84948551
   0.48054976  0.44010358  0.67500478
   0.22660683  0.34248807  0.69758801
   0.24101356  0.19415483 -0.12246400
   0.01920850  0.12168833  0.96823369
   0.13375921  0.59852059  0.09443582
   0.39281913  0.71577354  0.29293437
   0.14417055  0.85533471  0.06245910
   0.35481456  0.94841196  0.37512048
   0.41012672  0.93632535  0.18262193
   0.16066508  0.84454317  0.25477575
   0.32115684  0.61571935  0.46774187
   0.06290617  0.60605931  0.38429174
   0.14431272  0.45799845  0.54058863
   0.30697304  0.66793591  0.74661135
   0.10436190  0.71491827  0.55445351
   0.36964183  0.98547888  0.79070325
   0.50383999  0.93164430  0.63254864
   0.24005324  0.89054803  0.64237963
   0.24343297  0.66434550 -0.07108562
  -0.00327494  0.72038213  0.94414314
   0.60072126  0.06487225  0.09931820
   0.84202093  0.18094950  0.23949610
   0.61844662  0.30455207  0.01707413
   0.83205629  0.45997272  0.38541812
   0.03232209  0.36171416  0.18306586
   0.77610346  0.41551739  0.15265848
   0.69129001  0.15052030  0.39676762
   0.46473040  0.15603148  0.47367133
   0.67978920  0.10614526  0.57780077
   0.89088738  0.22371837  0.81558383
   0.61308340  0.35510047  0.52418164
   0.84551994  0.47619180  0.86277387
   0.98706940  0.45190509  0.67974672
   0.72436337  0.39406612  0.69854648
   0.75415092  0.07175323  0.95088575
   0.49013260  0.09309534  0.93541892
   0.55905452  0.55893389  0.07120521
   0.86363267  0.69638566  0.28078059
   0.54775525  0.82142867  0.03872692
   0.83741764  0.95360966  0.33169343
   0.92603714  0.89565357  0.15260953
   0.65560365  0.84904060  0.21522605
   0.81735094  0.69820645  0.46173307
   0.57780416  0.60327391  0.39192600
   0.65492122  0.59782155  0.58707586
   0.84200825  0.70398730  0.78957231
   0.55262046  0.81618582  0.48109737
   0.94711063  0.94395825  0.84659839
   0.97058341  0.87031490  0.67299351
   0.73714940  0.96033223  0.72842090
   0.76257200  0.67781525  0.98586071
   0.51536928  0.67654607  0.88624334
   0.76826363  0.87692148  0.55941529
   0.44807248  0.76403988  0.53471896
   0.89209926  0.22636541  0.06894020
   0.88378457  0.37635641  0.36874748
   0.35212099  0.12355341  0.63868285
   0.28043106  0.77240898  0.71870537
   0.19587947  1.10451643  0.20899783
   0.27008798  1.11473738  0.04815446
   0.64831896  0.31254912  0.87695818
   0.90253815  0.43877339  0.67244087
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939904    0.110022   -0.215090
    -0.000000    9.885963    0.018457
    -0.000000    0.000000   13.834564
   Si   O    H 
    32    64    10
Direct configuration=  2737
   0.16777770  0.18690094 -0.01560797
   0.35055662  0.11320671  0.39208732
   0.14754517  0.42779285  0.11344472
   0.39363744  0.34299091  0.24167808
   0.06849983  0.13155453  0.48339088
   0.39037754  0.13399925  0.84924141
   0.09844306  0.36008797  0.62786099
   0.37954631  0.36800959  0.74396742
   0.13467784  0.71291951  0.00833852
   0.42307167  0.59227298  0.36946053
   0.08528692  0.91837151  0.16229987
   0.32545680  0.85918570  0.27350412
   0.16085012  0.59536947  0.48518660
   0.36151426  0.62208426  0.85060711
   0.09035019  0.86285402  0.59489079
   0.36739028  0.98908760  0.67450457
   0.62661046  0.13857861  0.99730407
   0.83107418  0.10926473  0.34331109
   0.62438672  0.40942860  0.10597569
   0.87992564  0.29265705  0.15758787
   0.62141997  0.19653957  0.49667199
   0.89862620  0.09179318  0.89280707
   0.61972812  0.44924924  0.62048151
   0.76511713  0.34293107  0.81477273
   0.59695676  0.68232108 -0.00832924
   0.89993287  0.61000796  0.37814587
   0.55346026  0.91301504  0.13042655
   0.82326871  0.85034493  0.23918855
   0.65699445  0.68877339  0.48113167
   0.86550592  0.63656842  0.89755428
   0.66505281  0.95563615  0.62035461
   0.86629038  0.86353093  0.76056690
   0.10381568  0.07522332  0.17482091
   0.34447420  0.19308085  0.28210567
   0.14264469  0.34902563  0.01169985
   0.40754780  0.43186012  0.33871021
   0.53237262  0.33236279  0.18326286
   0.29180429  0.42024611  0.16821852
   0.21819406  0.14932695  0.44488170
  -0.05169953  0.17688548  0.41706982
   0.04860223 -0.03747215  0.50826382
   0.46596955  0.23421825  0.77493152
   0.06723790  0.20820238  0.59118708
   0.36402115  0.45545605  0.85064506
   0.47947775  0.44160321  0.67417801
   0.22414156  0.34319445  0.69809657
   0.24101522  0.19413597 -0.12195663
   0.01940689  0.12163294  0.96922938
   0.13378177  0.59723587  0.09453784
   0.39132301  0.71696498  0.29233870
   0.14511031  0.85746328  0.06326614
   0.35290845  0.94636662  0.37509064
   0.40983766  0.93627388  0.18259460
   0.16073411  0.84582133  0.25528889
   0.31994888  0.61650590  0.46710818
   0.06433496  0.60402146  0.38627414
   0.14333810  0.45869073  0.53975153
   0.30752553  0.66765424  0.74703840
   0.10542392  0.71586690  0.55458568
   0.36935694  0.98436424  0.79045632
   0.50109994  0.93199807  0.63260774
   0.24113671  0.89032382  0.64254853
   0.24357062  0.66552976 -0.07236357
  -0.00291870  0.72105920  0.94577986
   0.60007325  0.06362745  0.09925052
   0.83978493  0.18078507  0.23970950
   0.61674731  0.30537846  0.01701885
   0.83078862  0.46080429  0.38488484
   0.03430134  0.36305519  0.18445182
   0.77696031  0.41455777  0.15357150
   0.69161238  0.15167128  0.39661446
   0.46436991  0.15785369  0.47485573
   0.67989631  0.10393073  0.57814464
   0.89127555  0.22454272  0.81573424
   0.61293683  0.35521699  0.52445384
   0.84444447  0.47782469  0.86324673
   0.98931121  0.45309349  0.67957525
   0.72633847  0.39408579  0.69927946
   0.75431319  0.07230318  0.95068651
   0.49097575  0.09363493  0.93423789
   0.55912489  0.55991764  0.07002852
   0.86487573  0.69756050  0.27960640
   0.54877415  0.82306623  0.03913723
   0.83771830  0.95197000  0.33012605
   0.92703613  0.89501824  0.15350906
   0.65658254  0.85049624  0.21561498
   0.81686855  0.69855122  0.46295090
   0.57709959  0.60232837  0.39360878
   0.65548924  0.59666842  0.58759847
   0.84356187  0.70615993  0.79018149
   0.55068844  0.81706017  0.47976577
   0.94581504  0.94386676  0.84834973
   0.97006106  0.86963089  0.67142071
   0.73781968  0.95916675  0.72720072
   0.76262784  0.67882281  0.98650916
   0.51665153  0.67687526  0.88627004
   0.76766263  0.88844870  0.55635525
   0.45176417  0.76523956  0.52617989
   0.89244210  0.23409121  0.06385212
   0.88807949  0.38192057  0.36687316
   0.35108907  0.12555567  0.63960889
   0.28622409  0.76490082  0.71971079
   0.18840730  1.10030160  0.20562512
   0.27623745  1.11062013  0.04864869
   0.65319152  0.31192795  0.87461825
   0.88661312  0.43271753  0.66842452
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940009    0.110269   -0.216150
    -0.000000    9.887350    0.017300
    -0.000000    0.000000   13.832476
   Si   O    H 
    32    64    10
Direct configuration=  2738
   0.16702740  0.18742947 -0.01541305
   0.35165291  0.11036630  0.39323701
   0.14673900  0.42738521  0.11414226
   0.39267269  0.34123230  0.24181565
   0.06850338  0.13277936  0.48254902
   0.39065449  0.13328003  0.84900677
   0.09923290  0.36045772  0.62775879
   0.37903234  0.36742361  0.74413251
   0.13408870  0.71345827  0.00761208
   0.42246619  0.59283405  0.36905426
   0.08479168  0.91788670  0.16234129
   0.32624729  0.85952479  0.27297949
   0.16059558  0.59399533  0.48535477
   0.36130215  0.62183936  0.84988049
   0.09138904  0.86324506  0.59575729
   0.36650057  0.98972957  0.67315178
   0.62657249  0.13977305  0.99667823
   0.83017561  0.11110177  0.34341609
   0.62357269  0.40987189  0.10538115
   0.87949955  0.29240971  0.15842684
   0.62116933  0.19673434  0.49715076
   0.89766437  0.09143970  0.89256149
   0.62016688  0.44809680  0.62036110
   0.76504680  0.34299064  0.81448062
   0.59731996  0.68260389 -0.00841495
   0.89897012  0.61024979  0.37842405
   0.55425364  0.91334111  0.13129291
   0.82436853  0.84974011  0.24017071
   0.65745181  0.68903916  0.48051936
   0.86597634  0.63617389  0.89591747
   0.66413872  0.95619596  0.62069534
   0.86806976  0.86267377  0.76009234
   0.10464389  0.07697629  0.17512726
   0.34438204  0.19215499  0.28141041
   0.14166526  0.34867824  0.01167921
   0.40691348  0.43243540  0.33995365
   0.53166154  0.32969964  0.18298892
   0.29107231  0.41978910  0.16802267
   0.21697991  0.14921561  0.44427859
  -0.05114479  0.17692717  0.41702921
   0.04753749 -0.03502511  0.50648395
   0.46715048  0.23410075  0.77603875
   0.06492298  0.20745393  0.59161952
   0.36609235  0.45550376  0.85114495
   0.47835914  0.44331805  0.67353621
   0.22270016  0.34386645  0.69844239
   0.24091414  0.19380604 -0.12154313
   0.01923920  0.12135615  0.96985531
   0.13287883  0.59561145  0.09453340
   0.39104995  0.71681731  0.29159871
   0.14619632  0.85915097  0.06408535
   0.35195843  0.94423967  0.37478322
   0.40844348  0.93665326  0.18262773
   0.16090766  0.84646028  0.25580583
   0.31922464  0.61691001  0.46588349
   0.06459964  0.60184874  0.38803266
   0.14136294  0.45969198  0.53872309
   0.30915163  0.66768196  0.74732661
   0.10604245  0.71603789  0.55476904
   0.36970598  0.98414769  0.79087718
   0.49892707  0.93272244  0.63241850
   0.24232032  0.89062773  0.64230575
   0.24353009  0.66754646 -0.07299160
  -0.00303340  0.72073044  0.94764587
   0.59962013  0.06242709  0.09962355
   0.83782492  0.18117175  0.24046950
   0.61521120  0.30588632  0.01711784
   0.83011025  0.46105274  0.38446369
   0.03588322  0.36395536  0.18552699
   0.77691332  0.41439395  0.15410442
   0.69141281  0.15377737  0.39633526
   0.46373838  0.15876059  0.47530301
   0.67956669  0.10235615  0.57866826
   0.89080246  0.22490206  0.81571363
   0.61351093  0.35476346  0.52407071
   0.84385934  0.47896100  0.86389852
   0.99075000  0.45395989  0.67934930
   0.72894945  0.39378026  0.70082115
   0.75435452  0.07296246  0.94999176
   0.49235180  0.09404286  0.93307382
   0.55905368  0.56096210  0.06860536
   0.86643908  0.69919936  0.27892136
   0.55013872  0.82428048  0.03924472
   0.83841367  0.94993783  0.32920141
   0.92703489  0.89417965  0.15538265
   0.65767755  0.85199544  0.21587170
   0.81717660  0.69916519  0.46393896
   0.57724189  0.60127599  0.39468986
   0.65565076  0.59579646  0.58699717
   0.84421976  0.70827936  0.79096160
   0.54910655  0.81774513  0.47915433
   0.94420289  0.94452943  0.84983586
   0.97024127  0.86881060  0.66999716
   0.73842036  0.95780791  0.72603736
   0.76308876  0.67967331  0.98728533
   0.51762745  0.67742918  0.88627237
   0.76144755  0.90176612  0.55512341
   0.46461055  0.77086615  0.51433319
   0.89388816  0.24024258  0.05815226
   0.89064240  0.39140226  0.36562272
   0.34864020  0.12457073  0.64102651
   0.29296270  0.75237992  0.72276839
   0.18052165  1.09906278  0.20421034
   0.27741960  1.10770902  0.04525579
   0.65572592  0.31108687  0.87215685
   0.88405600  0.42964228  0.66631456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940085    0.110346   -0.216519
    -0.000000    9.888407    0.015960
    -0.000000    0.000000   13.830689
   Si   O    H 
    32    64    10
Direct configuration=  2739
   0.16647475  0.18778367 -0.01531269
   0.35268983  0.10777297  0.39426807
   0.14649803  0.42726195  0.11452205
   0.39164290  0.33984691  0.24213214
   0.06870781  0.13323694  0.48237098
   0.39000871  0.13219649  0.84878198
   0.09953746  0.36117394  0.62784350
   0.37859808  0.36728711  0.74405859
   0.13402516  0.71374240  0.00690397
   0.42210446  0.59351764  0.36825190
   0.08496136  0.91755590  0.16267882
   0.32688482  0.86117535  0.27279130
   0.16121715  0.59295097  0.48521804
   0.36052328  0.62153804  0.84978003
   0.09239196  0.86443015  0.59665538
   0.36547774  0.98957512  0.67173419
   0.62593673  0.14090081  0.99630859
   0.83028201  0.11322995  0.34410762
   0.62272617  0.41082958  0.10469599
   0.87941053  0.29237707  0.15907839
   0.62112963  0.19646409  0.49735259
   0.89668360  0.09142056  0.89202050
   0.62050356  0.44681172  0.61991648
   0.76530181  0.34370907  0.81393255
   0.59766646  0.68265818 -0.00785943
   0.89755707  0.61048711  0.37833404
   0.55502185  0.91368855  0.13192881
   0.82460226  0.84856302  0.24101215
   0.65796587  0.68943846  0.48036605
   0.86679933  0.63585770  0.89463789
   0.66290027  0.95640865  0.62104137
   0.87014363  0.86226601  0.75945038
   0.10422331  0.07921262  0.17535232
   0.34464771  0.19098422  0.28134433
   0.14036547  0.34804235  0.01098205
   0.40553297  0.43268787  0.34098932
   0.53137224  0.32768793  0.18302075
   0.29086681  0.41937348  0.16778534
   0.21565486  0.14931250  0.44320722
  -0.05153332  0.17637512  0.41671751
   0.04615576 -0.03260466  0.50451806
   0.46769665  0.23411519  0.77686160
   0.06322576  0.20688707  0.59192959
   0.36828261  0.45574119  0.85077805
   0.47679208  0.44445874  0.67354045
   0.22273698  0.34438516  0.69922961
   0.24113878  0.19260715 -0.12096688
   0.01875187  0.12199519  0.97130376
   0.13234551  0.59354518  0.09435180
   0.38977169  0.71597421  0.29109052
   0.14758451  0.85996368  0.06417603
   0.35166268  0.94238733  0.37419410
   0.40739995  0.93664579  0.18303069
   0.16074035  0.84655830  0.25626560
   0.31938703  0.61732912  0.46498556
   0.06452407  0.60047795  0.38946118
   0.13994861  0.45968338  0.53741699
   0.31049437  0.66640700  0.74766433
   0.10668164  0.71569397  0.55532330
   0.36935298  0.98469157  0.79129617
   0.49758315  0.93309611  0.63211730
   0.24316548  0.89032194  0.64193247
   0.24313163  0.66937519 -0.07299062
  -0.00381299  0.72017620  0.94932711
   0.59884642  0.06123480  0.09997113
   0.83595208  0.18195534  0.24083167
   0.61367098  0.30618141  0.01700005
   0.82952304  0.46143683  0.38404997
   0.03736125  0.36532741  0.18657279
   0.77638248  0.41466122  0.15402709
   0.69170640  0.15572165  0.39585801
   0.46199380  0.15948283  0.47487049
   0.67979259  0.10150017  0.58004986
   0.89019433  0.22464945  0.81578600
   0.61445017  0.35430858  0.52429845
   0.84268317  0.48005664  0.86473836
   0.99049590  0.45451376  0.67914543
   0.73228287  0.39365808  0.70257386
   0.75475604  0.07339187  0.94864016
   0.49396577  0.09517724  0.93276129
   0.55907664  0.56198994  0.06769742
   0.86798437  0.70009743  0.27832244
   0.55187265  0.82509181  0.03888867
   0.83910566  0.94877566  0.32793494
   0.92617321  0.89393538  0.15719961
   0.65848940  0.85338485  0.21553919
   0.81728057  0.69870792  0.46445345
   0.57721731  0.60072979  0.39529426
   0.65531999  0.59595545  0.58593737
   0.84497346  0.71045579  0.79208347
   0.54749303  0.81814202  0.47879387
   0.94226555  0.94560282  0.85084554
   0.97090147  0.86806803  0.66908522
   0.73943008  0.95584961  0.72511542
   0.76320564  0.68018211  0.98785375
   0.51737108  0.67750517  0.88637856
   0.75481506  0.90667930  0.55256234
   0.48485054  0.78195604  0.49719175
   0.89617567  0.24731198  0.05619022
   0.89289565  0.39126426  0.36407769
   0.34454215  0.12975782  0.64049270
   0.29297569  0.75278375  0.72139089
   0.19543094  1.10808424  0.20946439
   0.27183751  1.10972284  0.04136721
   0.65383496  0.30775447  0.86963730
   0.89501098  0.43125079  0.66571118
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.940105    0.110141   -0.217197
    -0.000000    9.889781    0.014874
    -0.000000    0.000000   13.829572
   Si   O    H 
    32    64    10
Direct configuration=  2740
   0.16597328  0.18817756 -0.01495974
   0.35409277  0.10560987  0.39533364
   0.14653456  0.42850473  0.11494544
   0.39026794  0.33885061  0.24197850
   0.06835223  0.13362603  0.48250004
   0.38911892  0.13112023  0.84865437
   0.09965677  0.36149658  0.62778567
   0.37764916  0.36761485  0.74382503
   0.13412301  0.71404591  0.00655100
   0.42166453  0.59417462  0.36771017
   0.08495283  0.91765361  0.16304952
   0.32652728  0.86295676  0.27270968
   0.16162972  0.59242234  0.48532633
   0.36023356  0.62122175  0.84975132
   0.09337592  0.86533699  0.59742716
   0.36402137  0.99008211  0.67069200
   0.62522202  0.14150817  0.99602835
   0.82998267  0.11517310  0.34469244
   0.62245615  0.41192552  0.10411418
   0.87936047  0.29259167  0.15966004
   0.62067210  0.19598229  0.49720490
   0.89619126  0.09153734  0.89171827
   0.62104367  0.44544623  0.61935741
   0.76602269  0.34456393  0.81323678
   0.59819242  0.68285985 -0.00693106
   0.89602662  0.61093359  0.37813827
   0.55559201  0.91453255  0.13256934
   0.82448831  0.84705156  0.24168097
   0.65870057  0.68951485  0.48035355
   0.86727886  0.63522256  0.89346637
   0.66160749  0.95670580  0.62109981
   0.87186595  0.86153417  0.75857216
   0.10479295  0.08239980  0.17611264
   0.34507247  0.18981174  0.28201411
   0.13936633  0.34693943  0.01027872
   0.40351239  0.43375614  0.34223529
   0.53048424  0.32579495  0.18316425
   0.29124839  0.41773968  0.16785604
   0.21436807  0.14992547  0.44219657
  -0.05219450  0.17611976  0.41570124
   0.04478793 -0.03073283  0.50305301
   0.46747522  0.23415645  0.77797377
   0.06092715  0.20677789  0.59231336
   0.36991845  0.45605178  0.85060816
   0.47538436  0.44596494  0.67305040
   0.22417310  0.34460619  0.70018757
   0.24158788  0.19217734 -0.11994895
   0.01918029  0.12288215  0.97241307
   0.13100186  0.59129261  0.09416548
   0.38922232  0.71519930  0.29087097
   0.14961748  0.86038269  0.06431113
   0.35238950  0.94095181  0.37387086
   0.40621072  0.93619396  0.18314043
   0.16235936  0.84668134  0.25682004
   0.31940037  0.61823766  0.46343031
   0.06385954  0.59876325  0.39148655
   0.13920987  0.45811352  0.53677308
   0.31162495  0.66438781  0.74756132
   0.10756841  0.71477167  0.55561462
   0.36863363  0.98495185  0.79239547
   0.49751302  0.93246120  0.63147744
   0.24368233  0.89016884  0.64158344
   0.24292902  0.67135954 -0.07280871
  -0.00450262  0.71986938  0.95058347
   0.59817945  0.06043096  0.10086775
   0.83389001  0.18237752  0.24106158
   0.61244742  0.30597939  0.01673201
   0.82901550  0.46318995  0.38326356
   0.03773552  0.36688628  0.18831097
   0.77558848  0.41608772  0.15399478
   0.69219350  0.15794571  0.39518968
   0.46071772  0.16042408  0.47457313
   0.68054333  0.10174915  0.58128949
   0.88869643  0.22449131  0.81655192
   0.61639856  0.35383679  0.52430014
   0.84176195  0.48033376  0.86561493
   0.98966462  0.45424042  0.67920228
   0.73483472  0.39369414  0.70423949
   0.75498577  0.07348397  0.94799273
   0.49659877  0.09644799  0.93237466
   0.55869739  0.56238148  0.06669071
   0.86898049  0.70006681  0.27811306
   0.55272048  0.82541628  0.03826327
   0.83979349  0.94761144  0.32706668
   0.92436410  0.89326003  0.15868278
   0.65956415  0.85448176  0.21481207
   0.81715803  0.69847082  0.46461149
   0.57639279  0.60092094  0.39663310
   0.65489649  0.59656162  0.58471596
   0.84622598  0.71239774  0.79309669
   0.54976774  0.82024039  0.47777587
   0.94086163  0.94629313  0.85186694
   0.97125430  0.86717359  0.66887102
   0.74060405  0.95431920  0.72457074
   0.76290087  0.67982688  0.98804611
   0.51702319  0.67798692  0.88709253
   0.74983860  0.90248107  0.54603569
   0.44803302  0.76506824  0.49859120
   0.89904146  0.25052851  0.05650767
   0.89357723  0.39201221  0.36124542
   0.33676714  0.13069615  0.63818717
   0.29409129  0.76021858  0.71565099
   0.20182315  1.11423907  0.21266008
   0.26215268  1.11208488  0.03860994
   0.64936413  0.30509688  0.86805578
   0.90613606  0.43254550  0.66648585
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939979    0.109804   -0.218033
    -0.000000    9.890917    0.014047
    -0.000000    0.000000   13.828232
   Si   O    H 
    32    64    10
Direct configuration=  2741
   0.16520163  0.18889404 -0.01477407
   0.35568090  0.10373845  0.39615845
   0.14668552  0.42990250  0.11512553
   0.38945971  0.33805062  0.24245992
   0.06869048  0.13293436  0.48298158
   0.38862215  0.13013101  0.84904586
   0.09948114  0.36215277  0.62772747
   0.37662208  0.36823024  0.74406767
   0.13383895  0.71477025  0.00627144
   0.42101530  0.59506688  0.36737506
   0.08475297  0.91749258  0.16382862
   0.32625452  0.86483836  0.27259737
   0.16189077  0.59224238  0.48567220
   0.35976261  0.62104658  0.84974750
   0.09406163  0.86598189  0.59761102
   0.36272953  0.99111374  0.66937728
   0.62368203  0.14134464  0.99589716
   0.83013553  0.11646157  0.34524458
   0.62176605  0.41314331  0.10401178
   0.87991038  0.29282165  0.15996614
   0.62069368  0.19514193  0.49686397
   0.89570591  0.09186315  0.89109536
   0.62146317  0.44394348  0.61895593
   0.76776118  0.34505621  0.81274702
   0.59917988  0.68337212 -0.00628369
   0.89539154  0.61205106  0.37812484
   0.55650999  0.91471735  0.13345695
   0.82404338  0.84552506  0.24215184
   0.65938182  0.68945085  0.47994648
   0.86792858  0.63493386  0.89274835
   0.65966249  0.95640576  0.62115147
   0.87267946  0.86100740  0.75766512
   0.10690769  0.08505145  0.17721584
   0.34551574  0.18836319  0.28322019
   0.13864139  0.34581976  0.00960494
   0.40102885  0.43413239  0.34339031
   0.52966744  0.32402634  0.18381565
   0.29225257  0.41661891  0.16754794
   0.21293045  0.15107126  0.44133705
  -0.05338943  0.17607623  0.41445505
   0.04338744 -0.02979483  0.50248742
   0.46766080  0.23371664  0.77925034
   0.05989176  0.20614487  0.59224203
   0.37135213  0.45643613  0.84969785
   0.47432349  0.44687847  0.67275840
   0.22576267  0.34441591  0.70128086
   0.24275456  0.19137938 -0.11967710
   0.01959476  0.12378542  0.97327906
   0.12960458  0.58947447  0.09417722
   0.38929027  0.71467183  0.29044507
   0.15184875  0.86040829  0.06417611
   0.35385216  0.94002706  0.37391563
   0.40562843  0.93470318  0.18368312
   0.16435120  0.84661617  0.25782644
   0.32044142  0.61870580  0.46167101
   0.06287758  0.59742923  0.39276049
   0.13899380  0.45621820  0.53609787
   0.31248598  0.66256160  0.74674422
   0.10830513  0.71445835  0.55607702
   0.36780796  0.98535903  0.79316516
   0.49730517  0.93171451  0.63083235
   0.24361090  0.88898963  0.64141355
   0.24281562  0.67387891 -0.07299366
  -0.00485423  0.71954351  0.95213966
   0.59796789  0.06102823  0.10130762
   0.83200697  0.18234221  0.24072423
   0.61167796  0.30560607  0.01645512
   0.82928478  0.46365901  0.38213112
   0.03756131  0.36801011  0.18988543
   0.77438091  0.41805092  0.15400420
   0.69213022  0.16052628  0.39514479
   0.45987850  0.16170917  0.47415748
   0.68132693  0.10221420  0.58244765
   0.88738319  0.22421418  0.81708190
   0.61876508  0.35396810  0.52399332
   0.84078836  0.48048319  0.86658960
   0.99008792  0.45405924  0.67980164
   0.73715081  0.39294564  0.70548143
   0.75467761  0.07316018  0.94711282
   0.49892871  0.09838571  0.93205160
   0.55794779  0.56205420  0.06602317
   0.87033655  0.69921019  0.27793470
   0.55306882  0.82541988  0.03726272
   0.84099405  0.94682118  0.32574037
   0.92190333  0.89325539  0.16027146
   0.66156527  0.85602162  0.21413124
   0.81708976  0.69841476  0.46438924
   0.57579383  0.60065306  0.39754232
   0.65446312  0.59683425  0.58344374
   0.84723754  0.71372192  0.79320898
   0.55144158  0.82230687  0.47715268
   0.93982257  0.94694513  0.85219786
   0.97156421  0.86619188  0.66844075
   0.74153018  0.95320344  0.72416269
   0.76291835  0.67944411  0.98777973
   0.51698079  0.67811150  0.88759492
   0.74577397  0.89164347  0.53929717
   0.42501780  0.76115472  0.49894128
   0.90139427  0.25626939  0.05814484
   0.89050431  0.39834902  0.36154073
   0.32564574  0.13103482  0.63445409
   0.29561286  0.75485720  0.71160279
   0.19311392  1.11984875  0.21106834
   0.25702293  1.11019369  0.03980826
   0.64116649  0.30028098  0.86496244
   0.88617169  0.42754985  0.66384729
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939794    0.108992   -0.219160
    -0.000000    9.891724    0.013361
    -0.000000    0.000000   13.826810
   Si   O    H 
    32    64    10
Direct configuration=  2742
   0.16469847  0.18941340 -0.01434381
   0.35689618  0.10200708  0.39677840
   0.14642973  0.43114124  0.11554002
   0.38835240  0.33768160  0.24318414
   0.06936570  0.13216047  0.48378169
   0.38786985  0.12906063  0.84953024
   0.09973431  0.36317810  0.62765939
   0.37573946  0.36827388  0.74535410
   0.13338564  0.71473375  0.00602520
   0.42055864  0.59581649  0.36725192
   0.08477262  0.91750404  0.16503094
   0.32596678  0.86638022  0.27241591
   0.16208489  0.59172874  0.48599686
   0.35914875  0.62052890  0.85002320
   0.09418056  0.86698620  0.59763500
   0.36118726  0.99258392  0.66877970
   0.62176309  0.14137845  0.99589672
   0.83018931  0.11715405  0.34575641
   0.62093570  0.41421432  0.10401370
   0.88119960  0.29301985  0.16068926
   0.62083520  0.19401008  0.49626474
   0.89506347  0.09228234  0.89052674
   0.62213819  0.44268703  0.61892520
   0.76905946  0.34575908  0.81289426
   0.59995925  0.68381671 -0.00617650
   0.89480670  0.61378828  0.37850557
   0.55702422  0.91436655  0.13456083
   0.82392641  0.84414562  0.24214680
   0.65920304  0.69015335  0.47969687
   0.86878776  0.63521750  0.89246928
   0.65778765  0.95567520  0.62085090
   0.87337447  0.86075118  0.75702972
   0.10867760  0.08826260  0.17781902
   0.34520158  0.18653154  0.28421078
   0.13692678  0.34524574  0.00926076
   0.39915100  0.43360305  0.34393264
   0.52906760  0.32248318  0.18430575
   0.29307875  0.41590231  0.16712296
   0.21164931  0.15278486  0.44006331
  -0.05449578  0.17610528  0.41289593
   0.04268147 -0.02886947  0.50234547
   0.46744221  0.23307511  0.78002269
   0.05953868  0.20541341  0.59200670
   0.37234109  0.45700928  0.84877377
   0.47370768  0.44767424  0.67211039
   0.22718837  0.34473840  0.70228556
   0.24443187  0.19086213 -0.11959809
   0.01933555  0.12494988  0.97438201
   0.12871548  0.58699797  0.09345141
   0.38916280  0.71402485  0.28982944
   0.15397376  0.85996475  0.06385294
   0.35588073  0.94024789  0.37434979
   0.40463007  0.93278521  0.18396575
   0.16620703  0.84654570  0.25899698
   0.32104512  0.61884698  0.46024849
   0.06177315  0.59584321  0.39363641
   0.13909988  0.45393762  0.53548059
   0.31295409  0.66102805  0.74542555
   0.10911989  0.71417766  0.55666871
   0.36660836  0.98585791  0.79387004
   0.49778213  0.93104719  0.63092254
   0.24399855  0.88830292  0.64148629
   0.24346186  0.67576154 -0.07324651
  -0.00570604  0.71836211  0.95364429
   0.59755494  0.06209135  0.10125427
   0.83049724  0.18214737  0.24023908
   0.61154541  0.30532394  0.01648772
   0.82916912  0.46446834  0.38156902
   0.03695452  0.36868179  0.19101314
   0.77338442  0.42017291  0.15371937
   0.69157227  0.16262366  0.39547840
   0.46022874  0.16247415  0.47414854
   0.68243585  0.10375890  0.58338626
   0.88568123  0.22435307  0.81737393
   0.62120025  0.35347447  0.52303908
   0.84011104  0.48111075  0.86766082
   0.99002482  0.45405578  0.68036699
   0.73868028  0.39187451  0.70652653
   0.75365362  0.07296240  0.94633786
   0.50044203  0.09993426  0.93187465
   0.55744398  0.56127763  0.06537776
   0.87232768  0.69751491  0.27763433
   0.55270045  0.82597170  0.03671085
   0.84172603  0.94731247  0.32481799
   0.91952740  0.89283146  0.16169451
   0.66421968  0.85715682  0.21387906
   0.81701084  0.69823356  0.46344728
   0.57613484  0.59989117  0.39880409
   0.65473423  0.59682323  0.58314912
   0.84644973  0.71523740  0.79296276
   0.55242974  0.82340460  0.47690578
   0.93828615  0.94653124  0.85202149
   0.97201293  0.86537380  0.66841223
   0.74175626  0.95270981  0.72444615
   0.76216311  0.67854434  0.98709765
   0.51588115  0.67754607  0.88871001
   0.73917350  0.88073354  0.53780825
   0.41381273  0.76429514  0.49788663
   0.90272948  0.26276907  0.06114785
   0.89487570  0.39673520  0.35838226
   0.31291391  0.12728003  0.63234850
   0.29616135  0.74271396  0.70965594
   0.17742175  1.11782804  0.20555881
   0.25225617  1.10376958  0.04444367
   0.63925774  0.29701057  0.85860166
   0.87864824  0.42577218  0.66113301
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939844    0.108106   -0.220316
    -0.000000    9.892923    0.012984
    -0.000000    0.000000   13.825163
   Si   O    H 
    32    64    10
Direct configuration=  2743
   0.16511991  0.18963616 -0.01396691
   0.35809875  0.10068383  0.39677117
   0.14661409  0.43211865  0.11586916
   0.38697341  0.33690540  0.24424735
   0.06959519  0.13087116  0.48468940
   0.38724622  0.12809905  0.85026937
   0.09934007  0.36446790  0.62727390
   0.37521791  0.36903792  0.74677133
   0.13314655  0.71420770  0.00583829
   0.41979038  0.59579811  0.36753082
   0.08508805  0.91796708  0.16610211
   0.32594468  0.86780067  0.27191976
   0.16215311  0.59133537  0.48622538
   0.35931842  0.62022376  0.85042146
   0.09367817  0.86812243  0.59685419
   0.35993622  0.99384280  0.66888958
   0.62042516  0.14132293  0.99630049
   0.82999402  0.11738103  0.34616670
   0.62009331  0.41555861  0.10400264
   0.88273706  0.29353957  0.16137910
   0.62102752  0.19295566  0.49578249
   0.89512020  0.09273598  0.89015111
   0.62263175  0.44212057  0.61909891
   0.76979129  0.34668766  0.81328769
   0.60066351  0.68488214 -0.00671447
   0.89439996  0.61505280  0.37871254
   0.55735015  0.91392396  0.13534829
   0.82343718  0.84229284  0.24205726
   0.65863444  0.69018259  0.47982418
   0.86925724  0.63601143  0.89229742
   0.65636333  0.95436990  0.62061586
   0.87408719  0.86129139  0.75684120
   0.10748685  0.08919342  0.17767200
   0.34528918  0.18475862  0.28584788
   0.13593007  0.34516372  0.00952071
   0.39847047  0.43306644  0.34432666
   0.52935016  0.32110564  0.18531384
   0.29412704  0.41540195  0.16649808
   0.20987769  0.15414872  0.43888445
  -0.05524318  0.17640899  0.41141367
   0.04239106 -0.02918407  0.50248316
   0.46675453  0.23331047  0.78022768
   0.05883750  0.20584759  0.59133898
   0.37339482  0.45800292  0.84784010
   0.47312238  0.44818061  0.67146758
   0.22788267  0.34546762  0.70301731
   0.24572910  0.19032047 -0.11970232
   0.01818788  0.12620041  0.97439666
   0.12790368  0.58504684  0.09358901
   0.38945825  0.71408077  0.28954889
   0.15557533  0.85888932  0.06341231
   0.35785522  0.94121747  0.37505174
   0.40424684  0.93105197  0.18473675
   0.16838909  0.84632672  0.25948375
   0.32178249  0.61944776  0.45882872
   0.05928668  0.59411000  0.39349919
   0.14027946  0.45127756  0.53502474
   0.31275374  0.65925207  0.74423712
   0.10995191  0.71330440  0.55744395
   0.36554677  0.98720871  0.79474945
   0.49816808  0.93013641  0.63062507
   0.24445211  0.88743896  0.64196510
   0.24323054  0.67670872 -0.07399371
  -0.00733099  0.71691252  0.95500967
   0.59756087  0.06343623  0.10131879
   0.82922085  0.18171036  0.24027441
   0.61125272  0.30501041  0.01605097
   0.82994819  0.46506766  0.38078041
   0.03644240  0.36974128  0.19213820
   0.77187069  0.42221239  0.15401201
   0.69144559  0.16472879  0.39517898
   0.46081681  0.16208748  0.47392158
   0.68376727  0.10624137  0.58368642
   0.88408773  0.22525987  0.81715520
   0.62316909  0.35277800  0.52209460
   0.83902660  0.48116023  0.86880529
   0.98891738  0.45326301  0.68049555
   0.74025431  0.39190472  0.70631924
   0.75249561  0.07243668  0.94565457
   0.50071976  0.10148550  0.93131954
   0.55774111  0.56027845  0.06515377
   0.87407520  0.69589111  0.27666908
   0.55257873  0.82673265  0.03679182
   0.84297223  0.94866640  0.32430246
   0.91826770  0.89372809  0.16227183
   0.66734741  0.85793650  0.21290032
   0.81795505  0.69842817  0.46278306
   0.57686495  0.59954763  0.40034657
   0.65548089  0.59698085  0.58309704
   0.84596306  0.71714891  0.79240657
   0.55379874  0.82465724  0.47680071
   0.93685300  0.94523548  0.85159854
   0.97119376  0.86491927  0.66838537
   0.74203469  0.95217438  0.72446141
   0.76117295  0.67731798  0.98641359
   0.51462812  0.67705471  0.88906739
   0.72693080  0.87318038  0.54030828
   0.41405276  0.77220500  0.49441041
   0.90240638  0.26624064  0.06223692
   0.89460382  0.39521653  0.35732250
   0.30440512  0.12223661  0.63174096
   0.29673691  0.73862992  0.70803377
   0.19332681  1.12797482  0.21376917
   0.24927349  1.09582607  0.05188196
   0.64175104  0.29569007  0.85400644
   0.88763177  0.42999030  0.66320286
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939804    0.107619   -0.220986
    -0.000000    9.894142    0.012798
    -0.000000    0.000000   13.823548
   Si   O    H 
    32    64    10
Direct configuration=  2744
   0.16556222  0.18994550 -0.01313537
   0.35876638  0.10038577  0.39689377
   0.14671562  0.43213771  0.11684457
   0.38599714  0.33608182  0.24513436
   0.06962821  0.12971276  0.48529065
   0.38653898  0.12751720  0.85075103
   0.09903009  0.36485616  0.62730239
   0.37469239  0.36987964  0.74826629
   0.13363807  0.71361706  0.00599329
   0.41853602  0.59573861  0.36755123
   0.08587077  0.91852480  0.16676780
   0.32558359  0.86894823  0.27174802
   0.16201758  0.59148104  0.48652448
   0.35903031  0.61987140  0.85070274
   0.09349367  0.86869229  0.59575396
   0.35903472  0.99530344  0.66877779
   0.61980650  0.14179696  0.99682179
   0.82927220  0.11764556  0.34600560
   0.61924597  0.41702681  0.10428110
   0.88439184  0.29433254  0.16224559
   0.62084366  0.19240585  0.49506204
   0.89501026  0.09317902  0.88986788
   0.62327448  0.44247538  0.61916179
   0.77147810  0.34733209  0.81397342
   0.60118030  0.68580927 -0.00693580
   0.89412617  0.61652387  0.37889558
   0.55668763  0.91371649  0.13610945
   0.82323327  0.84066890  0.24203451
   0.65797636  0.69009570  0.48037940
   0.86972433  0.63636071  0.89216177
   0.65502383  0.95343088  0.62073093
   0.87484321  0.86233095  0.75656121
   0.10677542  0.08924395  0.17722078
   0.34603652  0.18331719  0.28833805
   0.13534853  0.34635913  0.01044134
   0.39786979  0.43285663  0.34433794
   0.52951040  0.32004002  0.18577232
   0.29566595  0.41503691  0.16621538
   0.20892979  0.15566917  0.43738704
  -0.05558008  0.17630517  0.41026852
   0.04253098 -0.03077411  0.50249576
   0.46562827  0.23359525  0.77999974
   0.05773267  0.20629720  0.59145479
   0.37507436  0.45907897  0.84690878
   0.47246482  0.44818839  0.67091581
   0.22851260  0.34609697  0.70316339
   0.24663030  0.18941414 -0.11930367
   0.01725001  0.12699937  0.97392328
   0.12759624  0.58424066  0.09344888
   0.38949905  0.71337246  0.28933063
   0.15731813  0.85792651  0.06385723
   0.36005399  0.94148785  0.37582830
   0.40355913  0.92939148  0.18542247
   0.17012703  0.84653511  0.25926389
   0.32228353  0.61944548  0.45759011
   0.05637012  0.59247179  0.39357528
   0.14170069  0.44843332  0.53426779
   0.31299429  0.65722286  0.74336302
   0.11105389  0.71293903  0.55781965
   0.36480590  0.98862128  0.79529313
   0.49788368  0.92903606  0.63059217
   0.24442007  0.88699914  0.64277378
   0.24389235  0.67829592 -0.07457362
  -0.00891903  0.71485699  0.95557847
   0.59756524  0.06506456  0.10097262
   0.82836139  0.18234492  0.23975868
   0.61169812  0.30402373  0.01543260
   0.83105965  0.46410425  0.38015494
   0.03540749  0.37156490  0.19297882
   0.77009982  0.42379812  0.15376188
   0.69092917  0.16664891  0.39424148
   0.46135039  0.16193327  0.47358717
   0.68516953  0.10894914  0.58409377
   0.88328565  0.22559918  0.81681045
   0.62532227  0.35249818  0.52100934
   0.83779147  0.48103027  0.86979415
   0.98737341  0.45274042  0.68106965
   0.74115367  0.39187126  0.70562309
   0.75198709  0.07174673  0.94531424
   0.50052011  0.10238542  0.93083219
   0.55817493  0.55908156  0.06497751
   0.87548362  0.69459107  0.27527908
   0.55269483  0.82708700  0.03687045
   0.84411828  0.95052112  0.32448066
   0.91757383  0.89412965  0.16211458
   0.66966580  0.85836256  0.21206269
   0.81902459  0.69898383  0.46129773
   0.57743664  0.59841669  0.40175783
   0.65635325  0.59712986  0.58345831
   0.84481729  0.71838692  0.79152578
   0.55435128  0.82658430  0.47713679
   0.93555512  0.94423725  0.85091712
   0.97093309  0.86403542  0.66795176
   0.74188575  0.95065122  0.72429322
   0.76076994  0.67626417  0.98582981
   0.51284236  0.67681155  0.88931487
   0.71574630  0.86803386  0.54502181
   0.42425829  0.78363589  0.49238463
   0.90088857  0.26806007  0.06045549
   0.89004034  0.39791844  0.36072512
   0.29681680  0.11694056  0.63338715
   0.29726918  0.74068116  0.70372896
   0.19992251  1.13105476  0.21870411
   0.24492714  1.09305955  0.05744243
   0.64426869  0.29619281  0.84864651
   0.90079580  0.43480719  0.66618815
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939182    0.107040   -0.221814
    -0.000000    9.895061    0.012170
    -0.000000    0.000000   13.821671
   Si   O    H 
    32    64    10
Direct configuration=  2745
   0.16596869  0.19025187 -0.01254531
   0.35875952  0.10035384  0.39710729
   0.14692355  0.43178859  0.11753186
   0.38565282  0.33499648  0.24620039
   0.06943381  0.12862899  0.48623974
   0.38589279  0.12733774  0.85137543
   0.09885002  0.36463152  0.62705265
   0.37401777  0.37126062  0.74973188
   0.13408692  0.71298473  0.00591569
   0.41799251  0.59557112  0.36692920
   0.08577277  0.91857033  0.16737647
   0.32554554  0.86984659  0.27185905
   0.16147494  0.59156000  0.48689203
   0.35921406  0.62039391  0.85183097
   0.09388814  0.86863357  0.59473691
   0.35838641  0.99650757  0.66902244
   0.62004457  0.14328479  0.99743132
   0.82835489  0.11737383  0.34572270
   0.61830772  0.41780318  0.10485914
   0.88583540  0.29542857  0.16302285
   0.62069166  0.19223786  0.49441959
   0.89491869  0.09339193  0.89057515
   0.62454919  0.44317676  0.61905355
   0.77269479  0.34821762  0.81481264
   0.60177518  0.68645591 -0.00709029
   0.89411743  0.61798288  0.37854684
   0.55567799  0.91346865  0.13675185
   0.82326917  0.83970805  0.24217413
   0.65676324  0.68969701  0.48082245
   0.87012966  0.63708287  0.89280779
   0.65408877  0.95240616  0.62106137
   0.87510214  0.86384128  0.75649294
   0.10616982  0.08912830  0.17701764
   0.34719852  0.18204329  0.29056319
   0.13497711  0.34782854  0.01122128
   0.39737088  0.43265119  0.34431364
   0.52976591  0.31960460  0.18632651
   0.29643613  0.41471759  0.16576680
   0.20875000  0.15631273  0.43574499
  -0.05596271  0.17661204  0.40927493
   0.04261058 -0.03316862  0.50297776
   0.46412688  0.23344933  0.77904046
   0.05662538  0.20719186  0.59137091
   0.37663707  0.45973747  0.84650307
   0.47278174  0.44829958  0.67020460
   0.22888664  0.34613082  0.70336174
   0.24706786  0.18925098 -0.11891102
   0.01666136  0.12723655  0.97340335
   0.12738923  0.58502752  0.09285422
   0.38963574  0.71305774  0.28854262
   0.15811526  0.85711988  0.06436133
   0.36280683  0.94234563  0.37624444
   0.40318648  0.92825681  0.18558548
   0.17093173  0.84702490  0.25879349
   0.32104588  0.61956139  0.45634830
   0.05370580  0.59104232  0.39380911
   0.14352968  0.44582565  0.53321716
   0.31338912  0.65608488  0.74273857
   0.11159071  0.71265357  0.55837797
   0.36363332  0.98887453  0.79486938
   0.49733116  0.92870351  0.63019296
   0.24402109  0.88582021  0.64325084
   0.24469352  0.68036799 -0.07506618
  -0.01029890  0.71233434  0.95556823
   0.59813374  0.06557585  0.10106630
   0.82775764  0.18291382  0.23904221
   0.61191228  0.30361691  0.01526857
   0.83106907  0.46416999  0.37957095
   0.03474673  0.37321176  0.19325096
   0.76865054  0.42573377  0.15382674
   0.68999616  0.16905624  0.39249703
   0.46202490  0.16109269  0.47279079
   0.68669988  0.11116808  0.58378555
   0.88260522  0.22624266  0.81673656
   0.62734353  0.35252662  0.52023341
   0.83620232  0.48048975  0.87076295
   0.98715918  0.45176572  0.68150433
   0.74198860  0.39201239  0.70446437
   0.75083203  0.07159057  0.94506688
   0.49935379  0.10223622  0.93004624
   0.55810514  0.55747014  0.06488656
   0.87575366  0.69313498  0.27389183
   0.55269840  0.82740810  0.03677862
   0.84421517  0.95300008  0.32532742
   0.91721250  0.89390644  0.16184438
   0.67143412  0.85895598  0.21094843
   0.81947087  0.70036104  0.45985452
   0.57839579  0.59706227  0.40285488
   0.65737618  0.59729528  0.58359215
   0.84398319  0.71897925  0.79108995
   0.55479465  0.82823399  0.47790779
   0.93418760  0.94383185  0.85030209
   0.97027785  0.86349881  0.66719072
   0.74136228  0.94958285  0.72395544
   0.76075368  0.67498522  0.98483649
   0.51167893  0.67635506  0.88980965
   0.70912948  0.86732001  0.55170829
   0.44560389  0.79574208  0.48825901
   0.89782363  0.26774489  0.05618255
   0.89537193  0.39001310  0.36228810
   0.28524521  0.11645496  0.63277262
   0.30003324  0.73979703  0.70263963
   0.19301253  1.12936012  0.22043829
   0.23900307  1.09858384  0.05703525
   0.64666826  0.29550826  0.84346043
   0.89215448  0.43742489  0.66826040
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938846    0.106479   -0.222661
    -0.000000    9.895745    0.011587
    -0.000000    0.000000   13.819622
   Si   O    H 
    32    64    10
Direct configuration=  2746
   0.16634536  0.18972102 -0.01264852
   0.35849698  0.10038800  0.39695261
   0.14706093  0.43111926  0.11807146
   0.38607221  0.33344968  0.24734562
   0.06905672  0.12804444  0.48720941
   0.38601851  0.12670055  0.85222684
   0.09964594  0.36435129  0.62670714
   0.37387698  0.37240214  0.75094061
   0.13441499  0.71174581  0.00625036
   0.41763877  0.59506764  0.36605561
   0.08576867  0.91885952  0.16746010
   0.32608610  0.87016071  0.27189704
   0.16174675  0.59114556  0.48703810
   0.35928250  0.62101673  0.85291529
   0.09343599  0.86905628  0.59363805
   0.35770237  0.99698614  0.66967025
   0.62093460  0.14491567  0.99818546
   0.82721827  0.11678133  0.34511412
   0.61723792  0.41867210  0.10535389
   0.88709892  0.29644219  0.16365403
   0.62102549  0.19227366  0.49369458
   0.89435395  0.09362981  0.89155276
   0.62543748  0.44389111  0.61894441
   0.77431463  0.34877354  0.81590181
   0.60221551  0.68705311 -0.00748366
   0.89389107  0.61909007  0.37843488
   0.55500657  0.91288910  0.13720233
   0.82313690  0.83927323  0.24233085
   0.65586086  0.68926983  0.48100675
   0.87016210  0.63851749  0.89361941
   0.65342145  0.95207800  0.62171854
   0.87482889  0.86621186  0.75664727
   0.10528976  0.08875832  0.17666945
   0.34859000  0.18128357  0.29180531
   0.13577917  0.34888094  0.01194521
   0.39718671  0.43277449  0.34420912
   0.52966408  0.31946309  0.18666233
   0.29674125  0.41424802  0.16500274
   0.20885885  0.15725458  0.43390506
  -0.05530766  0.17648687  0.40822034
   0.04346840 -0.03585006  0.50393000
   0.46372112  0.23418309  0.77854095
   0.05551468  0.20805727  0.59079849
   0.37758224  0.46003403  0.84579573
   0.47385861  0.44778837  0.66938351
   0.22893304  0.34598754  0.70376329
   0.24732034  0.18962214 -0.11848869
   0.01531397  0.12729845  0.97252521
   0.12751802  0.58565801  0.09264057
   0.39003498  0.71272971  0.28782838
   0.15875917  0.85687972  0.06502006
   0.36530294  0.94311944  0.37634950
   0.40326654  0.92758036  0.18498050
   0.17095174  0.84701899  0.25817837
   0.31926259  0.62024945  0.45569235
   0.05152442  0.58941327  0.39315545
   0.14478481  0.44331356  0.53192375
   0.31334497  0.65552638  0.74239606
   0.11247337  0.71188411  0.55910000
   0.36282302  0.98989248  0.79402129
   0.49574554  0.92796033  0.63023698
   0.24280688  0.88473653  0.64346459
   0.24534114  0.68307561 -0.07544758
  -0.01131464  0.70932694  0.95576869
   0.59933658  0.06620203  0.10123538
   0.82708124  0.18391646  0.23816512
   0.61199301  0.30312668  0.01512465
   0.83173476  0.46432237  0.37877161
   0.03417362  0.37510760  0.19314270
   0.76817020  0.42788081  0.15374947
   0.69002816  0.17077567  0.39075867
   0.46248932  0.15959327  0.47212052
   0.68720859  0.11366943  0.58405256
   0.88216002  0.22661037  0.81645570
   0.62830389  0.35237463  0.52002788
   0.83508261  0.47975865  0.87152702
   0.98681044  0.45071079  0.68252571
   0.74271785  0.39216840  0.70237582
   0.75070521  0.07100060  0.94496986
   0.49762688  0.10266220  0.92987230
   0.55779088  0.55587963  0.06442245
   0.87640475  0.69244083  0.27261312
   0.55271182  0.82672958  0.03737144
   0.84409822  0.95518010  0.32663828
   0.91836181  0.89360169  0.16089517
   0.67247276  0.85939562  0.20926344
   0.81923848  0.70170863  0.45895347
   0.57861389  0.59526426  0.40354585
   0.65832769  0.59733724  0.58362034
   0.84283653  0.71958927  0.79040271
   0.55539772  0.82917315  0.47897448
   0.93312627  0.94455956  0.84969091
   0.97000723  0.86336855  0.66633501
   0.74050774  0.94903382  0.72392123
   0.76077193  0.67443162  0.98413312
   0.51153594  0.67589621  0.89060737
   0.71255037  0.86444439  0.55781400
   0.47885683  0.80700487  0.48214708
   0.89621271  0.26477251  0.05700216
   0.89811853  0.38640644  0.36474852
   0.27660141  0.11566273  0.63080974
   0.30229621  0.73512343  0.70442451
   0.17578616  1.12092162  0.21636351
   0.23534352  1.10764190  0.05502237
   0.64686514  0.29625823  0.84229295
   0.88514356  0.43813428  0.66953670
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938499    0.105879   -0.224171
    -0.000000    9.896764    0.011423
    -0.000000    0.000000   13.817486
   Si   O    H 
    32    64    10
Direct configuration=  2747
   0.16646707  0.18921201 -0.01291635
   0.35761499  0.10067579  0.39669018
   0.14744071  0.43067204  0.11834190
   0.38669868  0.33201899  0.24870915
   0.06830955  0.12738389  0.48782544
   0.38586005  0.12600951  0.85217297
   0.10019726  0.36375676  0.62656217
   0.37461310  0.37334132  0.75156931
   0.13430544  0.70999492  0.00681575
   0.41710588  0.59374296  0.36507672
   0.08546589  0.91883827  0.16703720
   0.32593587  0.87030865  0.27212377
   0.16177428  0.59121294  0.48761491
   0.36019886  0.62178646  0.85366112
   0.09296097  0.86822081  0.59272082
   0.35647773  0.99726832  0.67029958
   0.62292757  0.14640510  0.99861446
   0.82611802  0.11602953  0.34447105
   0.61607169  0.41848459  0.10565021
   0.88770499  0.29809666  0.16423505
   0.62162910  0.19307127  0.49238829
   0.89408203  0.09398914  0.89241856
   0.62647600  0.44434394  0.61932596
   0.77542343  0.34920683  0.81710798
   0.60235764  0.68737168 -0.00770816
   0.89411807  0.61999085  0.37812888
   0.55389197  0.91289394  0.13728141
   0.82355149  0.83957095  0.24229132
   0.65470764  0.68941869  0.48185995
   0.86966684  0.64021775  0.89463294
   0.65283838  0.95222354  0.62238464
   0.87395042  0.86869774  0.75680600
   0.10438074  0.08772061  0.17649656
   0.34947177  0.18024463  0.29253082
   0.13688555  0.34944911  0.01251123
   0.39736932  0.43267825  0.34410269
   0.53001423  0.32027773  0.18683054
   0.29691465  0.41296111  0.16382971
   0.20946644  0.15727713  0.43264031
  -0.05457294  0.17716713  0.40770406
   0.04545451 -0.03912865  0.50430254
   0.46267381  0.23476184  0.77735796
   0.05462785  0.20908671  0.59147987
   0.37859904  0.46030766  0.84526458
   0.47466691  0.44779779  0.66880427
   0.22875002  0.34537157  0.70410847
   0.24635153  0.19031482 -0.11768198
   0.01395044  0.12687799  0.97143912
   0.12766820  0.58664050  0.09220321
   0.38973887  0.71251755  0.28737380
   0.15957851  0.85699113  0.06582739
   0.36729756  0.94401327  0.37603079
   0.40430093  0.92747024  0.18427613
   0.17021837  0.84807170  0.25750560
   0.31689460  0.62101061  0.45506509
   0.04936595  0.58823401  0.39289013
   0.14627933  0.44153121  0.53082531
   0.31250997  0.65446356  0.74248095
   0.11377597  0.71084762  0.55943216
   0.36190119  0.99191280  0.79226416
   0.49346490  0.92752734  0.63130304
   0.24163160  0.88351695  0.64357709
   0.24637196  0.68590150 -0.07530894
  -0.01164836  0.70705522  0.95578291
   0.60059080  0.06688933  0.10161074
   0.82635328  0.18565245  0.23666377
   0.61321321  0.30403331  0.01544617
   0.83210775  0.46439822  0.37759221
   0.03381521  0.37711673  0.19314284
   0.76850429  0.43030107  0.15381584
   0.68953483  0.17198746  0.38934325
   0.46346430  0.15846538  0.47146656
   0.68729320  0.11549426  0.58381841
   0.88267498  0.22625389  0.81676015
   0.62956602  0.35265694  0.52049485
   0.83372769  0.47928358  0.87186082
   0.98632413  0.45013803  0.68415686
   0.74387972  0.39275632  0.70033031
   0.75017142  0.07031882  0.94412439
   0.49637953  0.10239715  0.92982853
   0.55845368  0.55438122  0.06377851
   0.87698316  0.69152457  0.27206266
   0.55224126  0.82609853  0.03834692
   0.84388930  0.95671713  0.32862065
   0.92021618  0.89346055  0.16003762
   0.67322815  0.85972990  0.20716531
   0.81861629  0.70354627  0.45841381
   0.57802806  0.59364330  0.40410039
   0.65900639  0.59831828  0.58347823
   0.84154874  0.71881205  0.79034762
   0.55891304  0.83088186  0.48002576
   0.93239156  0.94584516  0.84917716
   0.97007083  0.86355916  0.66574913
   0.73807791  0.94948410  0.72383990
   0.76121595  0.67345948  0.98326709
   0.51087745  0.67552744  0.89109832
   0.72424756  0.86031246  0.56043236
   0.45346279  0.80422052  0.47839214
   0.89373270  0.26346494  0.05953914
   0.89418808  0.39417178  0.36709920
   0.27406482  0.11581367  0.62983215
   0.30307265  0.73244684  0.70731353
   0.16663858  1.11484922  0.21420438
   0.23502834  1.11357501  0.05380830
   0.64884351  0.29760703  0.84347141
   0.88441064  0.43784857  0.67371915
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938451    0.105607   -0.225678
    -0.000000    9.897751    0.011246
    -0.000000    0.000000   13.815236
   Si   O    H 
    32    64    10
Direct configuration=  2748
   0.16643639  0.18886417 -0.01336396
   0.35663875  0.10124645  0.39611625
   0.14790839  0.43061091  0.11845421
   0.38796270  0.33078511  0.25028429
   0.06738401  0.12724341  0.48833043
   0.38560684  0.12499211  0.85165930
   0.10017681  0.36299568  0.62678674
   0.37573406  0.37404011  0.75209251
   0.13402741  0.70825798  0.00749176
   0.41723674  0.59173279  0.36440841
   0.08502805  0.91886846  0.16582650
   0.32670043  0.86995746  0.27247410
   0.16197838  0.59159621  0.48799268
   0.36125372  0.62255898  0.85449962
   0.09206781  0.86699099  0.59223858
   0.35461849  0.99714032  0.67114146
   0.62408406  0.14707628  0.99898445
   0.82503949  0.11549598  0.34376188
   0.61525615  0.41775061  0.10573165
   0.88808999  0.29996739  0.16456698
   0.62226716  0.19449518  0.49122106
   0.89427359  0.09437445  0.89316142
   0.62702079  0.44519987  0.61979734
   0.77732566  0.34994399  0.81799028
   0.60267443  0.68734063 -0.00809978
   0.89417535  0.62088100  0.37745416
   0.55298852  0.91287945  0.13699892
   0.82412038  0.84001331  0.24247718
   0.65331160  0.68940448  0.48237960
   0.86975858  0.64125212  0.89586868
   0.65266093  0.95270332  0.62272975
   0.87280867  0.87033969  0.75691440
   0.10133885  0.08516238  0.17565144
   0.35029606  0.18004527  0.29292989
   0.13750260  0.34851138  0.01308929
   0.39733088  0.43193274  0.34391120
   0.52997496  0.32141965  0.18709438
   0.29667171  0.41222025  0.16315988
   0.20985907  0.15702234  0.43127762
  -0.05286031  0.17805477  0.40830893
   0.04805390 -0.04116894  0.50428285
   0.46144708  0.23540435  0.77546635
   0.05444279  0.20984965  0.59277913
   0.37976937  0.46083681  0.84543323
   0.47570492  0.44752722  0.66866311
   0.22876921  0.34496515  0.70409499
   0.24563879  0.19085328 -0.11684567
   0.01299482  0.12643626  0.97005668
   0.12729567  0.58777921  0.09156181
   0.38861747  0.71216060  0.28705250
   0.16030147  0.85711465  0.06670887
   0.36896486  0.94440615  0.37532906
   0.40608726  0.92761852  0.18345468
   0.16871963  0.84995382  0.25771048
   0.31431430  0.62217718  0.45499693
   0.04787272  0.58727254  0.39285193
   0.14774004  0.44027312  0.52941243
   0.31168765  0.65437447  0.74311472
   0.11582906  0.70979902  0.55949531
   0.36039017  0.99364432  0.78960479
   0.49141682  0.92789467  0.63234408
   0.23997177  0.88347021  0.64354509
   0.24756936  0.68884536 -0.07518841
  -0.01203241  0.70412410  0.95533813
   0.60082151  0.06715883  0.10200523
   0.82573117  0.18744104  0.23557808
   0.61425850  0.30510544  0.01538528
   0.83167886  0.46507806  0.37638595
   0.03248231  0.37816114  0.19361274
   0.76899165  0.43293137  0.15415096
   0.68944585  0.17301087  0.38814221
   0.46471498  0.15676628  0.47074407
   0.68624296  0.11571682  0.58383749
   0.88344725  0.22619774  0.81730585
   0.63060477  0.35250332  0.52144319
   0.83265359  0.47978839  0.87203739
   0.98562168  0.44988353  0.68557496
   0.74529034  0.39301213  0.69860250
   0.74876015  0.06980687  0.94350357
   0.49508480  0.10165494  0.93025525
   0.55901264  0.55417288  0.06274982
   0.87692555  0.69096831  0.27168463
   0.55193145  0.82519953  0.03933184
   0.84397345  0.95758186  0.33065590
   0.92223118  0.89332929  0.15945740
   0.67346995  0.86035243  0.20563014
   0.81798634  0.70455958  0.45860457
   0.57628873  0.59255152  0.40431954
   0.66021455  0.59937172  0.58317152
   0.84028243  0.71774621  0.79106654
   0.56164126  0.83192167  0.48149433
   0.93231893  0.94717690  0.84883520
   0.96920340  0.86301338  0.66553937
   0.73522870  0.94958304  0.72409867
   0.76173290  0.67276164  0.98227308
   0.51102887  0.67486617  0.89165167
   0.74161232  0.85830398  0.56219821
   0.43869289  0.80624048  0.47442393
   0.89268205  0.26094454  0.06307074
   0.89533494  0.39914430  0.36725283
   0.27834231  0.11715222  0.63086145
   0.30608198  0.73773310  0.70537238
   0.18212613  1.12054804  0.22709199
   0.24183402  1.11120822  0.05547077
   0.64653155  0.29827807  0.84621141
   0.88823656  0.43547351  0.67409470
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938217    0.105151   -0.226956
    -0.000000    9.898627    0.011245
    -0.000000    0.000000   13.812993
   Si   O    H 
    32    64    10
Direct configuration=  2749
   0.16629292  0.18804498 -0.01371854
   0.35621179  0.10174889  0.39556796
   0.14749368  0.43070747  0.11863658
   0.38917768  0.32985889  0.25224180
   0.06674192  0.12773962  0.48838019
   0.38577170  0.12456293  0.85096143
   0.10030797  0.36207271  0.62745929
   0.37738935  0.37499129  0.75177853
   0.13345883  0.70750298  0.00837754
   0.41738310  0.58964886  0.36393349
   0.08445026  0.91884561  0.16459981
   0.32718499  0.86949810  0.27273122
   0.16273435  0.59177781  0.48854081
   0.36247494  0.62384713  0.85480577
   0.09158484  0.86574916  0.59174041
   0.35310570  0.99667060  0.67180351
   0.62515281  0.14713787  0.99939672
   0.82507645  0.11521030  0.34308096
   0.61460653  0.41628176  0.10576959
   0.88805551  0.30180542  0.16478222
   0.62264017  0.19584264  0.49032557
   0.89423187  0.09511338  0.89426102
   0.62691156  0.44622034  0.62056153
   0.77889046  0.35024982  0.81862371
   0.60271557  0.68725007 -0.00856848
   0.89457205  0.62215124  0.37662515
   0.55236359  0.91347697  0.13626742
   0.82492711  0.84044343  0.24251004
   0.65225488  0.68974150  0.48248050
   0.86940960  0.64172233  0.89666753
   0.65282718  0.95220372  0.62309353
   0.87218559  0.87159457  0.75719474
   0.09914814  0.08350948  0.17508783
   0.35126054  0.18009609  0.29302688
   0.13922969  0.34748288  0.01375262
   0.39735447  0.43069459  0.34371230
   0.53037567  0.32272633  0.18712704
   0.29731856  0.41114332  0.16267778
   0.20939227  0.15648306  0.43059110
  -0.05067225  0.17809708  0.40879580
   0.05057313 -0.04258100  0.50421857
   0.46029153  0.23672613  0.77335623
   0.05484192  0.21058500  0.59409826
   0.38084111  0.46133094  0.84593797
   0.47724186  0.44717801  0.66852250
   0.22799969  0.34507754  0.70367028
   0.24468842  0.19156222 -0.11571858
   0.01290216  0.12545873  0.96924278
   0.12684038  0.58920458  0.09165378
   0.38739880  0.71151538  0.28703221
   0.15985842  0.85695637  0.06757395
   0.37049538  0.94453338  0.37488141
   0.40739492  0.92695933  0.18305633
   0.16803252  0.85140170  0.25781037
   0.31236654  0.62268744  0.45517958
   0.04719908  0.58660443  0.39317250
   0.14887287  0.43906590  0.52805117
   0.31158011  0.65421279  0.74398273
   0.11746154  0.70844996  0.55996949
   0.35893759  0.99558010  0.78708286
   0.48918613  0.92883388  0.63302378
   0.23840866  0.88418764  0.64374008
   0.24910378  0.69137352 -0.07468925
  -0.01188506  0.70115360  0.95486261
   0.60053523  0.06744324  0.10180765
   0.82547816  0.18884164  0.23446106
   0.61522128  0.30647368  0.01493490
   0.83077439  0.46715712  0.37525896
   0.03143286  0.37835750  0.19406948
   0.76951644  0.43466396  0.15487682
   0.68817625  0.17367958  0.38710225
   0.46668627  0.15529930  0.46988378
   0.68595678  0.11580742  0.58361782
   0.88446475  0.22627362  0.81831123
   0.63124434  0.35217391  0.52244079
   0.83149296  0.48051530  0.87309954
   0.98506815  0.44923626  0.68651162
   0.74686203  0.39299759  0.69678641
   0.74747188  0.06973136  0.94261016
   0.49447461  0.10159352  0.93042975
   0.55945533  0.55417616  0.06166798
   0.87667800  0.68969206  0.27165415
   0.55136241  0.82453511  0.04071617
   0.84393326  0.95778602  0.33276429
   0.92418113  0.89392885  0.15887225
   0.67296334  0.86012947  0.20396518
   0.81668348  0.70696979  0.45871946
   0.57400008  0.59194546  0.40430060
   0.66142707  0.60056976  0.58325070
   0.83969901  0.71740647  0.79230350
   0.56424666  0.83172269  0.48284153
   0.93315259  0.94886507  0.84941810
   0.96800444  0.86290822  0.66471054
   0.73208000  0.94951214  0.72470626
   0.76236596  0.67324326  0.98124454
   0.51157291  0.67476685  0.89204841
   0.75389705  0.86066071  0.56424128
   0.44175305  0.81341763  0.46978304
   0.88962367  0.25610022  0.06672944
   0.90771612  0.39413471  0.36554956
   0.28756986  0.11846041  0.63290756
   0.31030049  0.74201438  0.70453124
   0.18853896  1.12048069  0.23110719
   0.25048293  1.10881647  0.05837460
   0.64191219  0.29903171  0.84881431
   0.89661152  0.43286596  0.67462096
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.937423    0.105184   -0.228378
    -0.000000    9.899461    0.011231
    -0.000000    0.000000   13.810702
   Si   O    H 
    32    64    10
Direct configuration=  2750
   0.16561887  0.18687461 -0.01409743
   0.35564746  0.10194068  0.39489619
   0.14681885  0.43029495  0.11869541
   0.39048847  0.32918363  0.25414402
   0.06550398  0.12827741  0.48816022
   0.38645378  0.12479200  0.85061149
   0.09999103  0.36140481  0.62833319
   0.37823353  0.37521327  0.75109950
   0.13225565  0.70706627  0.00902839
   0.41821924  0.58800847  0.36377997
   0.08404159  0.91889545  0.16311121
   0.32817762  0.86913086  0.27305684
   0.16378115  0.59230645  0.48895978
   0.36298746  0.62519277  0.85524917
   0.09184762  0.86390042  0.59154629
   0.35167489  0.99656991  0.67246132
   0.62619014  0.14699347  1.00002910
   0.82559770  0.11532530  0.34192091
   0.61374109  0.41464674  0.10647970
   0.88813317  0.30348382  0.16513651
   0.62285414  0.19716997  0.48954050
   0.89465018  0.09580146  0.89502697
   0.62707505  0.44777976  0.62115105
   0.78028392  0.35018891  0.81874629
   0.60291048  0.68683303 -0.00895959
   0.89451478  0.62352205  0.37582705
   0.55268478  0.91386147  0.13525731
   0.82559959  0.84127528  0.24288934
   0.65119265  0.68987460  0.48248725
   0.86881418  0.64203579  0.89732173
   0.65291301  0.95197151  0.62282300
   0.87136295  0.87289546  0.75726271
   0.09713332  0.08256670  0.17526855
   0.35198179  0.18043295  0.29294833
   0.14060846  0.34751303  0.01436388
   0.39729301  0.43046222  0.34269726
   0.53045679  0.32440294  0.18738116
   0.29714492  0.41036346  0.16254604
   0.20939511  0.15560137  0.43056421
  -0.04903943  0.17759867  0.40954664
   0.05379974 -0.04297216  0.50380441
   0.45919081  0.23760690  0.77185424
   0.05518082  0.21076558  0.59533377
   0.38270700  0.46111613  0.84665823
   0.47955162  0.44667805  0.66860579
   0.22796244  0.34455825  0.70289255
   0.24434343  0.19241163 -0.11491355
   0.01392695  0.12540665  0.96891905
   0.12670397  0.59079720  0.09168938
   0.38583168  0.71062482  0.28690578
   0.15943370  0.85681890  0.06801906
   0.37191641  0.94457328  0.37511920
   0.40878056  0.92622794  0.18261300
   0.16698694  0.85264876  0.25802311
   0.31130115  0.62333565  0.45536093
   0.04791406  0.58596220  0.39439550
   0.14942693  0.43796921  0.52681800
   0.31103556  0.65422787  0.74536291
   0.11841406  0.70761791  0.56007690
   0.35762608  0.99659642  0.78525687
   0.48774837  0.92894234  0.63387712
   0.23653519  0.88538284  0.64372296
   0.25062988  0.69326391 -0.07425191
  -0.00991100  0.69797349  0.95458734
   0.60002216  0.06773843  0.10177865
   0.82429438  0.18981872  0.23365167
   0.61753556  0.30766340  0.01471713
   0.82955595  0.46809328  0.37366890
   0.02945368  0.37864637  0.19421235
   0.77026623  0.43524813  0.15531717
   0.68635031  0.17339610  0.38601948
   0.46794405  0.15381203  0.46898639
   0.68564269  0.11514021  0.58348017
   0.88615936  0.22663645  0.81940565
   0.63121667  0.35207528  0.52317567
   0.83071079  0.48126014  0.87347258
   0.98542596  0.44903268  0.68740971
   0.74862033  0.39321683  0.69561597
   0.74587938  0.07050912  0.94149790
   0.49403437  0.10130326  0.93093444
   0.56010388  0.55464672  0.06057680
   0.87595978  0.68831377  0.27143850
   0.55181030  0.82307654  0.04143393
   0.84398774  0.95764216  0.33451949
   0.92672120  0.89422874  0.15864929
   0.67231981  0.86000952  0.20294268
   0.81529567  0.70924480  0.45884649
   0.57204276  0.59075832  0.40460925
   0.66270490  0.60132399  0.58404172
   0.83917093  0.71718282  0.79285867
   0.56526785  0.83124156  0.48385319
   0.93424006  0.95065179  0.85005036
   0.96654726  0.86209865  0.66372517
   0.72926403  0.94913221  0.72625027
   0.76319227  0.67308137  0.98008779
   0.51196209  0.67410735  0.89245931
   0.76265652  0.86573532  0.56954944
   0.46084043  0.81828663  0.46777174
   0.88910166  0.24863840  0.06752223
   0.90981828  0.39839717  0.36379781
   0.29605088  0.11890888  0.63440112
   0.31408173  0.73876956  0.70951228
   0.18900842  1.11582540  0.22711363
   0.25791968  1.10926287  0.06004884
   0.64207002  0.30444286  0.85144239
   0.88748120  0.43055915  0.67244462
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936440    0.104902   -0.229808
    -0.000000    9.900257    0.011276
    -0.000000    0.000000   13.808247
   Si   O    H 
    32    64    10
Direct configuration=  2751
   0.16562370  0.18554133 -0.01437088
   0.35528963  0.10237505  0.39398383
   0.14634024  0.42924170  0.11844404
   0.39219834  0.32885095  0.25541233
   0.06446470  0.12817826  0.48743141
   0.38693931  0.12526406  0.85009127
   0.10005812  0.36127178  0.62906806
   0.37895264  0.37559555  0.75081086
   0.13141772  0.70681926  0.00957853
   0.41861940  0.58614032  0.36354400
   0.08378755  0.91907401  0.16146503
   0.32940140  0.86858418  0.27322790
   0.16349916  0.59255920  0.48913538
   0.36387989  0.62680221  0.85574657
   0.09271263  0.86179560  0.59170170
   0.35059277  0.99629718  0.67247088
   0.62696138  0.14687363  1.00055012
   0.82637542  0.11499633  0.34067471
   0.61345588  0.41343979  0.10685483
   0.88792686  0.30517878  0.16559856
   0.62299703  0.19873399  0.48940197
   0.89539934  0.09609839  0.89545561
   0.62709554  0.44979471  0.62173587
   0.78112623  0.34991616  0.81883087
   0.60280537  0.68617575 -0.00925713
   0.89423100  0.62449544  0.37539400
   0.55337819  0.91466611  0.13350301
   0.82606145  0.84240816  0.24330758
   0.65016383  0.68977888  0.48221775
   0.86760837  0.64243926  0.89747906
   0.65336750  0.95184792  0.62241020
   0.87065427  0.87433043  0.75712736
   0.09497861  0.08236479  0.17556047
   0.35347226  0.18074123  0.29256153
   0.14172982  0.34835277  0.01518400
   0.39799191  0.43040015  0.34240789
   0.53023183  0.32647093  0.18796707
   0.29663682  0.40951801  0.16294373
   0.20906141  0.15483822  0.43098736
  -0.04827369  0.17711688  0.41009347
   0.05641476 -0.04140816  0.50260684
   0.45856647  0.23779090  0.77064760
   0.05490848  0.20999130  0.59589259
   0.38477865  0.46088914  0.84739410
   0.48197241  0.44666542  0.66906515
   0.22762531  0.34359526  0.70257145
   0.24420219  0.19296176 -0.11392551
   0.01458283  0.12528385  0.96871588
   0.12681702  0.59194214  0.09094440
   0.38378105  0.70941152  0.28649769
   0.15832631  0.85646966  0.06835303
   0.37303800  0.94420777  0.37496751
   0.41043643  0.92632457  0.18189640
   0.16638738  0.85411551  0.25821689
   0.31118877  0.62330004  0.45478301
   0.05015436  0.58468679  0.39560737
   0.15002960  0.43750312  0.52578049
   0.31093969  0.65550709  0.74665998
   0.11890436  0.70786615  0.56009965
   0.35614317  0.99817589  0.78338679
   0.48717635  0.92921861  0.63474904
   0.23509703  0.88676344  0.64381449
   0.25207818  0.69429497 -0.07340270
  -0.00765263  0.69598797  0.95428824
   0.59904997  0.06879905  0.10126238
   0.82350288  0.19014789  0.23364489
   0.61917491  0.30862430  0.01424718
   0.82978219  0.46870503  0.37137337
   0.02802315  0.37843751  0.19495197
   0.77065845  0.43566315  0.15601468
   0.68483645  0.17325033  0.38501000
   0.46955289  0.15138515  0.46756729
   0.68479093  0.11431902  0.58271267
   0.88767711  0.22635425  0.82037149
   0.63078359  0.35199632  0.52415840
   0.82992153  0.48312252  0.87404711
   0.98611697  0.44865985  0.68809178
   0.75011138  0.39364662  0.69424700
   0.74438088  0.07112189  0.94076003
   0.49325109  0.10131245  0.93121251
   0.56037917  0.55630759  0.06021774
   0.87510617  0.68824803  0.27034481
   0.55199752  0.82237708  0.04212484
   0.84440839  0.95623930  0.33619072
   0.92904115  0.89420999  0.15818309
   0.67139269  0.85897857  0.20186728
   0.81497971  0.71072240  0.45830093
   0.57106674  0.58967933  0.40432945
   0.66456242  0.60221580  0.58448696
   0.83854332  0.71704839  0.79337685
   0.56572720  0.83114734  0.48502601
   0.93605791  0.95209753  0.84996695
   0.96427284  0.86120465  0.66280882
   0.72765813  0.94821382  0.72785793
   0.76372705  0.67369576  0.97919095
   0.51268610  0.67371724  0.89339040
   0.76562367  0.87432431  0.57601713
   0.49182681  0.82319832  0.46804762
   0.88999799  0.24097062  0.06622424
   0.90175120  0.41042344  0.36542422
   0.30298023  0.12280189  0.63454137
   0.31546387  0.73821851  0.71554230
   0.17418633  1.10391209  0.21684453
   0.25791501  1.11327751  0.05950125
   0.64425487  0.31074200  0.85291086
   0.87947164  0.42856871  0.66998769
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.935530    0.104294   -0.231040
    -0.000000    9.900968    0.011666
    -0.000000    0.000000   13.805734
   Si   O    H 
    32    64    10
Direct configuration=  2752
   0.16535508  0.18417196 -0.01427370
   0.35488298  0.10320450  0.39289951
   0.14614096  0.42871374  0.11857757
   0.39299166  0.32893355  0.25611048
   0.06396800  0.12808683  0.48654833
   0.38653890  0.12605123  0.84957969
   0.10015563  0.36152317  0.62997852
   0.37943950  0.37629931  0.75037855
   0.13113079  0.70704521  0.01017625
   0.41891037  0.58537728  0.36354209
   0.08363626  0.91866929  0.16007514
   0.33046202  0.86791476  0.27350638
   0.16282060  0.59330539  0.48916997
   0.36464265  0.62855527  0.85632026
   0.09350440  0.85929115  0.59193744
   0.34977353  0.99595771  0.67244613
   0.62789501  0.14659219  1.00105109
   0.82719714  0.11505099  0.33929739
   0.61348725  0.41260020  0.10717384
   0.88725579  0.30626014  0.16591239
   0.62288292  0.19998757  0.48959485
   0.89585044  0.09680765  0.89596402
   0.62741519  0.45145592  0.62211801
   0.78199014  0.35001955  0.81852283
   0.60219553  0.68575061 -0.00880648
   0.89363002  0.62486313  0.37512811
   0.55399808  0.91646454  0.13218488
   0.82688283  0.84305597  0.24360695
   0.64976112  0.68924300  0.48227787
   0.86593642  0.64239147  0.89770490
   0.65346015  0.95156545  0.62123708
   0.87007216  0.87458030  0.75721353
   0.09284417  0.08267734  0.17587382
   0.35488390  0.18112783  0.29234863
   0.14211388  0.34888241  0.01578232
   0.39907983  0.43052336  0.34225603
   0.53012175  0.32934695  0.18909191
   0.29566738  0.40850676  0.16341981
   0.20894525  0.15391400  0.43106262
  -0.04819578  0.17643017  0.41020335
   0.05908955 -0.03948600  0.50190380
   0.45798270  0.23696658  0.76992019
   0.05476728  0.20936814  0.59594581
   0.38710606  0.46052832  0.84861900
   0.48281318  0.44652325  0.66903910
   0.22770755  0.34250436  0.70288468
   0.24393527  0.19310715 -0.11311624
   0.01494314  0.12541501  0.96836343
   0.12664442  0.59235377  0.09024948
   0.38305196  0.70900930  0.28591118
   0.15802796  0.85590175  0.06806206
   0.37370148  0.94304250  0.37458475
   0.41125183  0.92675377  0.18167046
   0.16675281  0.85531692  0.25889233
   0.31108907  0.62365805  0.45420837
   0.05225800  0.58382586  0.39713863
   0.15055815  0.43649299  0.52499218
   0.31077040  0.65549276  0.74801532
   0.11974156  0.70789535  0.56018722
   0.35480453  0.99948028  0.78267656
   0.48744700  0.92916620  0.63550500
   0.23459629  0.88798894  0.64384081
   0.25341251  0.69520239 -0.07265483
  -0.00475503  0.69388398  0.95421985
   0.59730096  0.07007071  0.10045133
   0.82391441  0.19132673  0.23391638
   0.62077429  0.30903320  0.01357653
   0.82968389  0.46955710  0.36896579
   0.02732148  0.37892725  0.19578418
   0.77159470  0.43626730  0.15667780
   0.68381861  0.17286014  0.38407691
   0.47078479  0.14904674  0.46630817
   0.68298903  0.11352133  0.58144538
   0.88853807  0.22677888  0.82133197
   0.63054416  0.35107434  0.52542192
   0.82919055  0.48552799  0.87472632
   0.98606412  0.44787421  0.68837954
   0.75090862  0.39390674  0.69252004
   0.74415934  0.07206139  0.93956605
   0.49328474  0.10161167  0.93207606
   0.56061524  0.55764552  0.05985356
   0.87310576  0.68806522  0.26995163
   0.55228222  0.82115816  0.04278513
   0.84447847  0.95402990  0.33740678
   0.93086674  0.89390643  0.15774105
   0.67069422  0.85812079  0.20108188
   0.81465103  0.71242641  0.45762344
   0.57020222  0.58894199  0.40419903
   0.66663926  0.60245347  0.58480547
   0.83876767  0.71693973  0.79327674
   0.56868203  0.83185976  0.48719729
   0.93736453  0.95322043  0.84948100
   0.96230508  0.86094610  0.66241662
   0.72557527  0.94734578  0.72939891
   0.76317124  0.67433970  0.97904301
   0.51358181  0.67358352  0.89366178
   0.76103998  0.88404374  0.58167193
   0.45425008  0.82378950  0.45280979
   0.89097745  0.23741873  0.06786075
   0.89953273  0.41305387  0.36931694
   0.31038464  0.12836448  0.63148014
   0.31517459  0.74888184  0.71695863
   0.15744348  1.09043413  0.20513637
   0.25169397  1.12402724  0.05784243
   0.65015271  0.31812276  0.85078809
   0.88101983  0.42973640  0.67077481
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934295    0.103680   -0.232101
    -0.000000    9.901725    0.012364
    -0.000000    0.000000   13.803012
   Si   O    H 
    32    64    10
Direct configuration=  2753
   0.16489527  0.18374449 -0.01416990
   0.35406877  0.10417212  0.39202398
   0.14637731  0.42888661  0.11855319
   0.39380828  0.32930822  0.25609193
   0.06379575  0.12794219  0.48593708
   0.38654860  0.12668349  0.84871000
   0.10022600  0.36134657  0.63117817
   0.38038729  0.37701964  0.74965168
   0.13139312  0.70770342  0.01101150
   0.41942078  0.58553395  0.36355111
   0.08421505  0.91735353  0.15910324
   0.33207142  0.86680514  0.27388546
   0.16237627  0.59396111  0.48894522
   0.36476794  0.63036460  0.85677264
   0.09353923  0.85738260  0.59192274
   0.34876978  0.99608179  0.67196441
   0.62782980  0.14637429  1.00137732
   0.82794785  0.11525149  0.33802723
   0.61340584  0.41165699  0.10782846
   0.88639639  0.30731847  0.16588247
   0.62274645  0.20041409  0.48949679
   0.89651208  0.09726882  0.89577620
   0.62752651  0.45288431  0.62185819
   0.78215607  0.35020011  0.81777286
   0.60127749  0.68528855 -0.00820594
   0.89356566  0.62510195  0.37510281
   0.55496521  0.91833878  0.13107069
   0.82755232  0.84409719  0.24391192
   0.64972293  0.68871027  0.48241236
   0.86397519  0.64195645  0.89781337
   0.65287970  0.95147333  0.62057962
   0.86946247  0.87426730  0.75756599
   0.08764209  0.08283794  0.17449907
   0.35613389  0.18121730  0.29169007
   0.14259853  0.34912710  0.01610794
   0.39994457  0.43042961  0.34234235
   0.53009433  0.33181259  0.19015122
   0.29489726  0.40849645  0.16387470
   0.20786799  0.15174587  0.43154409
  -0.04913819  0.17671597  0.40956727
   0.06191953 -0.03748950  0.50123351
   0.45771259  0.23550441  0.76933061
   0.05478073  0.20840248  0.59616530
   0.38878510  0.46016331  0.85009318
   0.48318374  0.44605906  0.66927109
   0.22857607  0.34224675  0.70274545
   0.24369877  0.19283641 -0.11241139
   0.01637628  0.12602001  0.96857568
   0.12582125  0.59307659  0.08943157
   0.38196406  0.70895165  0.28488228
   0.15696353  0.85509370  0.06785813
   0.37396555  0.94102733  0.37440999
   0.41156442  0.92702683  0.18188264
   0.16703462  0.85662040  0.25935707
   0.31186082  0.62476361  0.45340292
   0.05355469  0.58302838  0.39818979
   0.15116167  0.43623407  0.52452549
   0.31044398  0.65630932  0.74913095
   0.12033337  0.70764762  0.56024586
   0.35366685  1.00126925  0.78337606
   0.48819596  0.92910241  0.63612919
   0.23358046  0.88852886  0.64381833
   0.25397546  0.69591283 -0.07125315
  -0.00201963  0.69162890  0.95362969
   0.59577409  0.07073096  0.09980690
   0.82527398  0.19253175  0.23421845
   0.62220327  0.30952532  0.01302088
   0.82843355  0.47144741  0.36680434
   0.02752502  0.37890135  0.19603902
   0.77251442  0.43591854  0.15731665
   0.68424376  0.17144468  0.38278793
   0.47172860  0.14787096  0.46447262
   0.68036931  0.11267010  0.58009981
   0.88963096  0.22792580  0.82218905
   0.63000192  0.35113805  0.52650842
   0.82890969  0.48760774  0.87474663
   0.98607610  0.44635169  0.68854258
   0.75133054  0.39468028  0.69153833
   0.74519559  0.07375009  0.93844222
   0.49351450  0.10180747  0.93312331
   0.56165587  0.55914994  0.05964844
   0.87097329  0.68924054  0.26901823
   0.55297895  0.82038983  0.04335448
   0.84420574  0.95188223  0.33833379
   0.93159719  0.89259775  0.15722079
   0.67014707  0.85669010  0.20080475
   0.81443022  0.71343873  0.45654950
   0.56947889  0.58810263  0.40439781
   0.66831469  0.60237957  0.58521172
   0.83848525  0.71694887  0.79323117
   0.57131612  0.83189494  0.48892930
   0.93824779  0.95402191  0.84850726
   0.96174709  0.86097838  0.66245875
   0.72510144  0.94603121  0.73130347
   0.76169172  0.67458660  0.97920171
   0.51419610  0.67378435  0.89389320
   0.75913702  0.88584143  0.58349680
   0.43823795  0.82691710  0.44150317
   0.89198762  0.23762271  0.06938396
   0.91494901  0.40033044  0.37452284
   0.31657159  0.13421797  0.62681052
   0.31346636  0.74841117  0.72155449
   0.19850745  1.09391722  0.22055114
   0.24523518  1.12889273  0.05693770
   0.65209033  0.32411021  0.84842928
   0.88576775  0.43312637  0.67273492
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933469    0.102702   -0.233827
    -0.000000    9.902438    0.013310
    -0.000000    0.000000   13.800410
   Si   O    H 
    32    64    10
Direct configuration=  2754
   0.16411872  0.18370450 -0.01410774
   0.35321208  0.10527758  0.39164583
   0.14639259  0.42923927  0.11848000
   0.39387381  0.32958950  0.25552420
   0.06380547  0.12817711  0.48554409
   0.38606182  0.12689539  0.84818415
   0.10044954  0.36106027  0.63228583
   0.38092887  0.37759472  0.74902013
   0.13224866  0.70872473  0.01165823
   0.41974029  0.58549344  0.36352015
   0.08512553  0.91634090  0.15894431
   0.33299741  0.86535527  0.27394003
   0.16202668  0.59400546  0.48871528
   0.36526414  0.63129954  0.85754876
   0.09293328  0.85607470  0.59171261
   0.34855829  0.99675223  0.67091013
   0.62711946  0.14580329  1.00118528
   0.82832163  0.11662838  0.33704509
   0.61381524  0.41081968  0.10853084
   0.88526956  0.30856906  0.16525660
   0.62217072  0.20068996  0.48924461
   0.89739719  0.09739554  0.89537845
   0.62759193  0.45375275  0.62136136
   0.78263039  0.35131152  0.81724558
   0.60095629  0.68484275 -0.00767256
   0.89386592  0.62529232  0.37509744
   0.55587979  0.92009461  0.13011176
   0.82809263  0.84556304  0.24389243
   0.64985244  0.68798851  0.48303189
   0.86258212  0.64169895  0.89775094
   0.65175621  0.95166248  0.62000680
   0.86863699  0.87369885  0.75783466
   0.08366741  0.08310301  0.17340654
   0.35708817  0.18133193  0.29055305
   0.14201416  0.34921889  0.01656237
   0.40039547  0.42995252  0.34273503
   0.52966301  0.33437026  0.19157132
   0.29414220  0.40856014  0.16528252
   0.20676008  0.14953051  0.43096611
  -0.04985362  0.17728663  0.40927719
   0.06384219 -0.03657187  0.50089157
   0.45769912  0.23369194  0.76915115
   0.05450407  0.20718946  0.59580209
   0.39017512  0.46075922  0.85121823
   0.48394317  0.44579169  0.66909221
   0.22960843  0.34184286  0.70311348
   0.24391276  0.19090408 -0.11223116
   0.01782300  0.12627097  0.96914621
   0.12499149  0.59339551  0.08935489
   0.38157951  0.70796841  0.28417909
   0.15596725  0.85464225  0.06773698
   0.37410297  0.93907341  0.37459051
   0.41027635  0.92756600  0.18219128
   0.16782878  0.85802625  0.25993796
   0.31369367  0.62564547  0.45219670
   0.05428657  0.58282963  0.39867709
   0.15169301  0.43599366  0.52438326
   0.30919669  0.65817052  0.75001917
   0.12127082  0.70733522  0.56058552
   0.35311465  1.00175242  0.78540757
   0.48869609  0.92934288  0.63704585
   0.23347600  0.88973479  0.64407778
   0.25512599  0.69683989 -0.06907208
   0.00013462  0.68959740  0.95281143
   0.59385070  0.07136109  0.09911780
   0.82682761  0.19331914  0.23490171
   0.62284689  0.30967682  0.01230935
   0.82801059  0.47286137  0.36445809
   0.02779531  0.37787862  0.19632446
   0.77287018  0.43576645  0.15741690
   0.68434244  0.16940374  0.38207703
   0.47232939  0.14642658  0.46229727
   0.67836761  0.11152246  0.57901008
   0.89087527  0.22973607  0.82246359
   0.62977710  0.35097641  0.52771290
   0.82901662  0.48819183  0.87432988
   0.98617073  0.44525697  0.68913505
   0.75179835  0.39563007  0.69145200
   0.74682236  0.07492162  0.93700898
   0.49378689  0.10111552  0.93429688
   0.56332110  0.55987132  0.05948065
   0.86792296  0.69060828  0.26805091
   0.55318786  0.81941069  0.04316686
   0.84363899  0.94908424  0.33914771
   0.93113720  0.89141409  0.15644620
   0.67101308  0.85552646  0.20103599
   0.81371921  0.71365300  0.45580650
   0.56955182  0.58789518  0.40487086
   0.67007697  0.60203066  0.58531345
   0.83802296  0.71792303  0.79376921
   0.57277370  0.83217240  0.49087486
   0.93822791  0.95444302  0.84747261
   0.96064069  0.86121808  0.66265992
   0.72493289  0.94521649  0.73382920
   0.76016981  0.67487124  0.97939254
   0.51424608  0.67444036  0.89393793
   0.76387491  0.87787781  0.58174663
   0.43556547  0.83608621  0.43391364
   0.89326660  0.24163451  0.07148143
   0.91786202  0.39774173  0.37944708
   0.32217307  0.13409885  0.62346312
   0.31004250  0.74502249  0.72391534
   0.22393050  1.09637901  0.23007591
   0.24539078  1.12731095  0.06082682
   0.64922162  0.32879909  0.84862657
   0.89122121  0.43561309  0.67477891
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.932656    0.102039   -0.235629
    -0.000000    9.903179    0.014395
    -0.000000    0.000000   13.797817
   Si   O    H 
    32    64    10
Direct configuration=  2755
   0.16361174  0.18297894 -0.01438562
   0.35315974  0.10619261  0.39159948
   0.14671694  0.43086019  0.11864308
   0.39337062  0.33052788  0.25405007
   0.06506532  0.12912014  0.48576371
   0.38637973  0.12830799  0.84779287
   0.10060282  0.36070463  0.63284641
   0.38135030  0.37816537  0.74803924
   0.13341721  0.70994000  0.01192373
   0.42000385  0.58568080  0.36365278
   0.08652599  0.91654581  0.15891030
   0.33370643  0.86366005  0.27397323
   0.16139034  0.59440108  0.48850687
   0.36492444  0.63205827  0.85857673
   0.09257615  0.85499296  0.59143461
   0.34888936  0.99755389  0.66984942
   0.62578141  0.14501667  1.00066322
   0.82875829  0.11730777  0.33617081
   0.61483693  0.41081539  0.10924639
   0.88466972  0.31046190  0.16502441
   0.62212264  0.20053626  0.48950838
   0.89807261  0.09738892  0.89508760
   0.62776241  0.45377151  0.62124346
   0.78284024  0.35262770  0.81660600
   0.60071611  0.68388220 -0.00688906
   0.89419528  0.62516366  0.37531508
   0.55721464  0.92147933  0.12927753
   0.82830931  0.84738816  0.24363685
   0.65052922  0.68682461  0.48337275
   0.86128266  0.64125747  0.89755027
   0.65104567  0.95211083  0.61922265
   0.86895637  0.87299862  0.75821906
   0.08034850  0.08335700  0.17345248
   0.35718224  0.18109531  0.28916324
   0.14152617  0.34887249  0.01665042
   0.40104144  0.42919647  0.34291099
   0.52878609  0.33613485  0.19288926
   0.29328586  0.40864676  0.16703547
   0.20581658  0.14727692  0.43046423
  -0.05052858  0.17862897  0.40805520
   0.06563349 -0.03669735  0.50094688
   0.45745356  0.23236560  0.76863929
   0.05503241  0.20658643  0.59557364
   0.39131784  0.46077864  0.85189712
   0.48360342  0.44515654  0.66929772
   0.23066483  0.34138348  0.70343162
   0.24372061  0.18943745 -0.11259716
   0.01853471  0.12629133  0.96985853
   0.12479618  0.59324044  0.08968009
   0.38167823  0.70607045  0.28337818
   0.15559461  0.85377609  0.06687561
   0.37452401  0.93674303  0.37487762
   0.40882326  0.92822461  0.18248806
   0.16824005  0.85899273  0.26083101
   0.31578093  0.62648486  0.45031386
   0.05553286  0.58288041  0.39902782
   0.15334500  0.43584056  0.52462554
   0.30853734  0.65950904  0.75078265
   0.12175909  0.70718720  0.56122180
   0.35229649  1.00111638  0.78749339
   0.48912710  0.93045731  0.63795629
   0.23315114  0.89033073  0.64418188
   0.25634847  0.69734946 -0.06721948
   0.00132083  0.68749956  0.95179352
   0.59281614  0.07173020  0.09880516
   0.82824451  0.19350261  0.23527001
   0.62389077  0.30956201  0.01159914
   0.82922761  0.47296900  0.36258383
   0.02875862  0.37737743  0.19623377
   0.77221230  0.43486057  0.15717047
   0.68474147  0.16747655  0.38148080
   0.47266530  0.14471742  0.46048713
   0.67764544  0.11021238  0.57781911
   0.89228461  0.23123966  0.82244068
   0.62904177  0.35045006  0.52822359
   0.82872792  0.48742864  0.87337373
   0.98737949  0.44405999  0.68946674
   0.75258108  0.39659781  0.69211778
   0.74827244  0.07536141  0.93546598
   0.49415983  0.10052797  0.93604096
   0.56496600  0.56007246  0.06017870
   0.86534346  0.69273184  0.26722273
   0.55324336  0.81931823  0.04314213
   0.84289953  0.94659095  0.33970505
   0.93014801  0.89014116  0.15605645
   0.67181112  0.85451309  0.20163517
   0.81272860  0.71439769  0.45532545
   0.57001936  0.58773646  0.40574176
   0.67117432  0.60047568  0.58519554
   0.83659536  0.71891649  0.79402867
   0.57328017  0.83259662  0.49280745
   0.93841976  0.95447377  0.84634881
   0.96079211  0.86101318  0.66256072
   0.72479705  0.94522583  0.73548595
   0.75802616  0.67512367  0.98003978
   0.51456735  0.67434549  0.89381614
   0.77109459  0.87013735  0.57935637
   0.44356189  0.84854853  0.43054351
   0.89319093  0.24524952  0.07088006
   0.90903110  0.40182731  0.38192391
   0.33151630  0.12872746  0.62109998
   0.30574552  0.75085264  0.72227387
   0.23721034  1.10207556  0.23282092
   0.24811752  1.12335209  0.06575261
   0.64432663  0.33058536  0.84981896
   0.88907234  0.43720828  0.67366811
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931719    0.101235   -0.237368
    -0.000000    9.903362    0.015272
    -0.000000    0.000000   13.795295
   Si   O    H 
    32    64    10
Direct configuration=  2756
   0.16315735  0.18261797 -0.01475280
   0.35285259  0.10632138  0.39185326
   0.14648624  0.43217700  0.11881707
   0.39240523  0.33217287  0.25209380
   0.06588324  0.13009674  0.48559985
   0.38696798  0.13016455  0.84771304
   0.10043360  0.36030796  0.63362801
   0.38065391  0.37893847  0.74690213
   0.13531576  0.71120701  0.01224740
   0.42045461  0.58593566  0.36368333
   0.08846811  0.91739008  0.15924688
   0.33437624  0.86186801  0.27329681
   0.16133138  0.59409497  0.48826606
   0.36430316  0.63260643  0.85931744
   0.09166322  0.85388543  0.59147636
   0.34926048  0.99871221  0.66865869
   0.62532961  0.14447539  0.99983747
   0.82973641  0.11770752  0.33525883
   0.61599615  0.41121807  0.11000800
   0.88413946  0.31264858  0.16478738
   0.62297220  0.20029021  0.48965572
   0.89851011  0.09721273  0.89475822
   0.62819265  0.45401052  0.62129177
   0.78259644  0.35394109  0.81582021
   0.60022033  0.68269737 -0.00650635
   0.89461173  0.62471145  0.37532611
   0.55825076  0.92233575  0.12881898
   0.82826426  0.84942752  0.24345271
   0.65125499  0.68619054  0.48338552
   0.86056981  0.64158497  0.89742925
   0.65048089  0.95191269  0.61878408
   0.86924182  0.87298294  0.75867614
   0.07810423  0.08388806  0.17371920
   0.35781028  0.18131181  0.28746761
   0.14060099  0.34788055  0.01629214
   0.40165585  0.42886753  0.34340316
   0.52698334  0.33752171  0.19383151
   0.29220618  0.40868866  0.16889011
   0.20506714  0.14545354  0.42991990
  -0.05078148  0.17947069  0.40702659
   0.06773970 -0.03732986  0.50154554
   0.45629337  0.23140992  0.76853974
   0.05613090  0.20599638  0.59562543
   0.39165242  0.46109294  0.85238439
   0.48396693  0.44433306  0.66963487
   0.23269263  0.34070631  0.70392268
   0.24359047  0.18751922 -0.11291194
   0.01843810  0.12667547  0.97021498
   0.12539224  0.59286963  0.09032670
   0.38159319  0.70369424  0.28297475
   0.15572381  0.85272275  0.06554851
   0.37470857  0.93485066  0.37541407
   0.40784358  0.92907979  0.18226707
   0.16886309  0.85967159  0.26185536
   0.31659248  0.62790229  0.44876883
   0.05747751  0.58371387  0.39890947
   0.15473800  0.43529525  0.52451060
   0.30834715  0.66090301  0.75131042
   0.12222524  0.70703489  0.56192171
   0.35157807  0.99936622  0.78926414
   0.48969225  0.93136544  0.63875416
   0.23207645  0.89151605  0.64445320
   0.25788355  0.69804303 -0.06487747
   0.00140177  0.68543749  0.95113953
   0.59259904  0.07256866  0.09864785
   0.82960936  0.19353301  0.23503342
   0.62480610  0.30839648  0.01095490
   0.83070508  0.47278877  0.36122776
   0.03027751  0.37641848  0.19588574
   0.77170104  0.43396543  0.15692917
   0.68546378  0.16638455  0.38140796
   0.47329765  0.14358636  0.45911540
   0.67710400  0.10832026  0.57695916
   0.89278794  0.23228017  0.82280454
   0.62891325  0.35096487  0.52925202
   0.82930704  0.48678296  0.87186634
   0.98873479  0.44303913  0.68984022
   0.75312227  0.39791939  0.69296744
   0.75003588  0.07625229  0.93387316
   0.49346888  0.09997610  0.93763544
   0.56667895  0.55992238  0.06119561
   0.86324866  0.69412586  0.26665010
   0.55321952  0.81875571  0.04263733
   0.84095493  0.94397252  0.33914535
   0.92960477  0.88826635  0.15601309
   0.67311245  0.85353014  0.20229626
   0.81129308  0.71518793  0.45528437
   0.57041029  0.58816659  0.40650288
   0.67233140  0.59878138  0.58478715
   0.83563984  0.71996902  0.79439960
   0.57367008  0.83204273  0.49392291
   0.93833705  0.95416234  0.84515621
   0.96115044  0.86032289  0.66194701
   0.72529359  0.94469418  0.73626280
   0.75674569  0.67563444  0.98058609
   0.51458841  0.67372285  0.89385460
   0.77120667  0.86324962  0.57781352
   0.45668794  0.86161986  0.43361847
   0.89541705  0.24994506  0.06977205
   0.89005013  0.41358958  0.38376764
   0.34069832  0.12009551  0.62217986
   0.30376691  0.75449697  0.72248769
   0.24307228  1.11180271  0.23559202
   0.25176685  1.11996422  0.06972149
   0.64186440  0.33215897  0.85027337
   0.88893598  0.43749349  0.67129461
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930695    0.100521   -0.239119
    -0.000000    9.903424    0.016354
    -0.000000    0.000000   13.793174
   Si   O    H 
    32    64    10
Direct configuration=  2757
   0.16290182  0.18190974 -0.01468033
   0.35220219  0.10604484  0.39229686
   0.14571970  0.43314451  0.11962823
   0.39106943  0.33397126  0.24990608
   0.06693132  0.13089426  0.48562330
   0.38775927  0.13130826  0.84789581
   0.10081837  0.35949307  0.63435204
   0.37943967  0.37981958  0.74606247
   0.13735920  0.71170521  0.01201281
   0.42077517  0.58604602  0.36396364
   0.08987876  0.91843534  0.15971013
   0.33496869  0.86071100  0.27244498
   0.16173395  0.59416792  0.48809910
   0.36398157  0.63278449  0.85995382
   0.09115855  0.85307673  0.59180786
   0.35003963  0.99912183  0.66781494
   0.62528020  0.14357660  0.99862380
   0.83021392  0.11898503  0.33467862
   0.61692982  0.41142404  0.11035548
   0.88374392  0.31453923  0.16450665
   0.62380126  0.20029346  0.48935741
   0.89881811  0.09801680  0.89418787
   0.62882153  0.45319228  0.62128353
   0.78224439  0.35558315  0.81521720
   0.59912981  0.68126391 -0.00632534
   0.89462677  0.62389560  0.37530712
   0.55950234  0.92299824  0.12875826
   0.82791876  0.85104330  0.24296925
   0.65230673  0.68531388  0.48337656
   0.85971481  0.64192008  0.89711857
   0.65017133  0.95255527  0.61862017
   0.87013348  0.87261979  0.75882088
   0.07669900  0.08477630  0.17438885
   0.35748147  0.18127986  0.28589313
   0.14024546  0.34602429  0.01555186
   0.40147618  0.42814196  0.34380290
   0.52595035  0.33931768  0.19378453
   0.29179778  0.40812553  0.17117040
   0.20506120  0.14498935  0.42977226
  -0.05126221  0.18006444  0.40716958
   0.06936277 -0.03776611  0.50165764
   0.45550261  0.23057372  0.76860680
   0.05692056  0.20561133  0.59498791
   0.39067045  0.46213771  0.85211042
   0.48379636  0.44405544  0.66982956
   0.23485140  0.33975214  0.70439375
   0.24331943  0.18582907 -0.11318169
   0.01782876  0.12564715  0.97128861
   0.12632508  0.59195004  0.09087845
   0.38142372  0.70191369  0.28296746
   0.15572536  0.85232441  0.06435011
   0.37416512  0.93353908  0.37609041
   0.40756070  0.93024863  0.18202481
   0.16990625  0.86047707  0.26255730
   0.31721011  0.62844825  0.44761834
   0.05749854  0.58497452  0.39862594
   0.15570548  0.43430895  0.52526913
   0.30823104  0.66233684  0.75217873
   0.12225096  0.70626394  0.56314566
   0.35055541  0.99753981  0.79104666
   0.49066157  0.93214691  0.63968896
   0.23062786  0.89235472  0.64462947
   0.25861734  0.69809685 -0.06259510
   0.00130821  0.68298414  0.95001784
   0.59352329  0.07288168  0.09863447
   0.83083946  0.19363997  0.23474348
   0.62548601  0.30753149  0.01085993
   0.83121995  0.47472984  0.35963282
   0.03187516  0.37564737  0.19592481
   0.77071760  0.43298752  0.15689556
   0.68609137  0.16553795  0.38110265
   0.47484782  0.14290073  0.45820537
   0.67643806  0.10568171  0.57712792
   0.89331261  0.23289420  0.82298274
   0.62809652  0.35210923  0.52984994
   0.82988481  0.48646375  0.87105556
   0.99044548  0.44299385  0.69000146
   0.75325576  0.39910909  0.69423344
   0.75220516  0.07738192  0.93226884
   0.49278551  0.09836392  0.93849269
   0.56855802  0.55910739  0.06289162
   0.86182976  0.69529118  0.26605786
   0.55253287  0.81918821  0.04206399
   0.83913419  0.94282164  0.33802788
   0.92928175  0.88642372  0.15563765
   0.67412614  0.85356167  0.20283206
   0.81004098  0.71491511  0.45507602
   0.57102381  0.58873616  0.40724524
   0.67385182  0.59725193  0.58432658
   0.83506888  0.72103429  0.79475672
   0.57371397  0.83187461  0.49470928
   0.93863182  0.95437602  0.84368835
   0.96107445  0.86026622  0.66128370
   0.72516920  0.94434785  0.73668030
   0.75681275  0.67635278  0.98163675
   0.51463142  0.67264403  0.89400872
   0.76639629  0.86157450  0.57792988
   0.47345529  0.87618779  0.43963037
   0.89998835  0.25292141  0.06879346
   0.89491010  0.40965529  0.39054914
   0.34828223  0.12089906  0.61889153
   0.30457339  0.74978259  0.72373007
   0.24931835  1.12439503  0.23656101
   0.25168769  1.11639375  0.07174664
   0.64123010  0.33093941  0.84992204
   0.88873317  0.43461622  0.66947804
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.929596    0.100103   -0.240593
    -0.000000    9.903733    0.017172
    -0.000000    0.000000   13.791038
   Si   O    H 
    32    64    10
Direct configuration=  2758
   0.16272962  0.18179539 -0.01401808
   0.35104687  0.10574249  0.39288851
   0.14459902  0.43389310  0.12018459
   0.38971756  0.33626766  0.24768068
   0.06814955  0.13144618  0.48546039
   0.38818072  0.13278727  0.84805439
   0.10075568  0.35918808  0.63494356
   0.37840649  0.38062483  0.74544279
   0.13907900  0.71183630  0.01195547
   0.42129139  0.58604050  0.36402237
   0.09116906  0.91999841  0.16027053
   0.33587594  0.85910635  0.27175537
   0.16236866  0.59433997  0.48770291
   0.36348271  0.63275884  0.86044373
   0.09051693  0.85254423  0.59212103
   0.35100833  0.99947350  0.66736456
   0.62550072  0.14354990  0.99757789
   0.83099230  0.11963335  0.33434816
   0.61767455  0.41115061  0.11085801
   0.88379571  0.31589412  0.16427080
   0.62398035  0.19965654  0.48863165
   0.89887218  0.09860829  0.89381982
   0.62945462  0.45225765  0.62124053
   0.78192439  0.35699642  0.81480752
   0.59826197  0.68036742 -0.00594962
   0.89447206  0.62308459  0.37523978
   0.56032479  0.92267001  0.12967677
   0.82774514  0.85192714  0.24219985
   0.65277377  0.68524612  0.48355852
   0.85862296  0.64209035  0.89672116
   0.65026999  0.95275852  0.61898795
   0.87039036  0.87241527  0.75848108
   0.07592930  0.08580246  0.17556509
   0.35669798  0.18105371  0.28407446
   0.14004234  0.34474500  0.01507403
   0.40133319  0.42746792  0.34413138
   0.52523680  0.34104678  0.19361583
   0.29162713  0.40748227  0.17300734
   0.20506972  0.14415335  0.42972657
  -0.05194580  0.18035423  0.40729929
   0.06994256 -0.03817254  0.50198259
   0.45382334  0.23014048  0.76817491
   0.05776798  0.20541469  0.59428456
   0.38944607  0.46245648  0.85167129
   0.48333657  0.44333370  0.66968854
   0.23690713  0.33887535  0.70495596
   0.24279170  0.18394197 -0.11324368
   0.01640881  0.12419141  0.97204647
   0.12786250  0.59086374  0.09267495
   0.38139073  0.69985361  0.28272127
   0.15519481  0.85288332  0.06278405
   0.37323384  0.93297591  0.37661342
   0.40761599  0.93177220  0.18134060
   0.17008194  0.86134138  0.26289977
   0.31712553  0.62953673  0.44719737
   0.05705968  0.58702653  0.39861194
   0.15650689  0.43346759  0.52600584
   0.30782797  0.66338707  0.75273451
   0.12203659  0.70476067  0.56424919
   0.34958633  0.99650961  0.79161106
   0.49214666  0.93251428  0.64019202
   0.22991956  0.89257583  0.64510372
   0.26037489  0.69805236 -0.06005979
   0.00265099  0.68090779  0.94863714
   0.59457468  0.07319344  0.09923518
   0.83225992  0.19384420  0.23458760
   0.62523395  0.30602874  0.01097619
   0.83148153  0.47613596  0.35776720
   0.03334100  0.37476339  0.19596662
   0.76912188  0.43177828  0.15655335
   0.68739417  0.16556051  0.38048373
   0.47672007  0.14245461  0.45761459
   0.67601887  0.10368783  0.57715272
   0.89403849  0.23329429  0.82250479
   0.62688720  0.35315360  0.52992524
   0.83084776  0.48580724  0.87052352
   0.99209602  0.44341845  0.68993053
   0.75339785  0.40011725  0.69564976
   0.75321123  0.07807725  0.93154882
   0.49108854  0.09726582  0.93890098
   0.57006046  0.55807734  0.06506302
   0.86049064  0.69616634  0.26533088
   0.55160541  0.81983672  0.04125052
   0.83659081  0.94251290  0.33665589
   0.92857562  0.88385967  0.15499733
   0.67545533  0.85408485  0.20300647
   0.80895143  0.71449470  0.45497125
   0.57061687  0.58909365  0.40813627
   0.67498334  0.59662977  0.58404520
   0.83462615  0.72152870  0.79461192
   0.57360135  0.83162233  0.49523440
   0.93981228  0.95480495  0.84162801
   0.96216578  0.86051439  0.66044037
   0.72586314  0.94473460  0.73697788
   0.75674561  0.67772041  0.98263599
   0.51479985  0.67258172  0.89359286
   0.75842590  0.86297444  0.58052269
   0.49280903  0.88563904  0.45050072
   0.90479577  0.25448886  0.06908293
   0.89666663  0.40677993  0.39438300
   0.34851865  0.12894810  0.61254046
   0.30325349  0.75207453  0.72604475
   0.25685960  1.13276923  0.23890983
   0.24742448  1.11591726  0.06899552
   0.64499984  0.32746616  0.84927694
   0.89525843  0.43055978  0.67015257
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.928282    0.100136   -0.242297
    -0.000000    9.904222    0.017922
    -0.000000    0.000000   13.789072
   Si   O    H 
    32    64    10
Direct configuration=  2759
   0.16280990  0.18152510 -0.01297888
   0.35031540  0.10484417  0.39338327
   0.14384054  0.43450195  0.12043099
   0.38846914  0.33893109  0.24571474
   0.06850607  0.13186567  0.48513442
   0.38893451  0.13458613  0.84824625
   0.10081946  0.35828896  0.63521889
   0.37730474  0.38156923  0.74536256
   0.14040420  0.71143088  0.01207949
   0.42179269  0.58660039  0.36376858
   0.09274027  0.92164161  0.16083448
   0.33701538  0.85741182  0.27104519
   0.16317149  0.59412571  0.48707105
   0.36288634  0.63293714  0.86115538
   0.08996964  0.85296999  0.59188074
   0.35180829  0.99926325  0.66683511
   0.62676165  0.14397782  0.99663519
   0.83187863  0.11980568  0.33383498
   0.61821866  0.41046040  0.11080159
   0.88437398  0.31682784  0.16378103
   0.62463300  0.19910886  0.48812396
   0.89881677  0.09854708  0.89350423
   0.62953549  0.45160926  0.62140466
   0.78156890  0.35812601  0.81402713
   0.59763262  0.67930952 -0.00568571
   0.89452603  0.62274312  0.37469421
   0.56106634  0.92236867  0.13050652
   0.82787300  0.85332694  0.24149194
   0.65359455  0.68561058  0.48356902
   0.85793775  0.64172499  0.89666467
   0.65106393  0.95260268  0.61971103
   0.87083652  0.87192592  0.75793986
   0.07570268  0.08672474  0.17718470
   0.35506119  0.18044211  0.28187290
   0.14060505  0.34369855  0.01488565
   0.40130920  0.42728927  0.34410480
   0.52570224  0.34317356  0.19294106
   0.29074909  0.40690242  0.17483168
   0.20498902  0.14375296  0.42971124
  -0.05175862  0.18007144  0.40787573
   0.07136920 -0.03800951  0.50193159
   0.45189325  0.22983810  0.76813816
   0.05812644  0.20542802  0.59337526
   0.38853510  0.46311236  0.85102342
   0.48273621  0.44353031  0.66982536
   0.23788329  0.33779898  0.70509123
   0.24329503  0.18254047 -0.11265961
   0.01435340  0.12316635  0.97271979
   0.12961812  0.58929255  0.09434975
   0.38175855  0.69829135  0.28209875
   0.15433927  0.85452470  0.06152677
   0.37375403  0.93241977  0.37720174
   0.40861445  0.93353849  0.18042041
   0.17035288  0.86235559  0.26298264
   0.31615130  0.62994969  0.44710384
   0.05542235  0.58989180  0.39838368
   0.15786305  0.43313618  0.52710543
   0.30696290  0.66341304  0.75340532
   0.12241990  0.70330862  0.56505069
   0.34920402  0.99567516  0.79200361
   0.49390187  0.93253794  0.64059786
   0.22874812  0.89230038  0.64482840
   0.26250090  0.69804278 -0.05774507
   0.00371605  0.67829924  0.94714400
   0.59562584  0.07411197  0.10000599
   0.83277567  0.19427684  0.23457789
   0.62529819  0.30595003  0.01176220
   0.83243518  0.47645831  0.35615260
   0.03480528  0.37421591  0.19605487
   0.76698563  0.43083116  0.15630513
   0.68889037  0.16620376  0.37992248
   0.47855722  0.14217399  0.45718114
   0.67563000  0.10206677  0.57703314
   0.89437629  0.23471052  0.82185736
   0.62567120  0.35362719  0.52975822
   0.83187547  0.48561747  0.87003260
   0.99397431  0.44402335  0.68997489
   0.75408207  0.40133091  0.69719180
   0.75401305  0.07970408  0.93092755
   0.48890061  0.09716398  0.93948118
   0.57156642  0.55660220  0.06721792
   0.85894345  0.69581448  0.26537936
   0.54938702  0.82124437  0.03974841
   0.83433444  0.94278774  0.33580888
   0.92823303  0.88263897  0.15472192
   0.67620936  0.85481552  0.20337568
   0.80859002  0.71378082  0.45476411
   0.57035256  0.58968517  0.40874459
   0.67580209  0.59675701  0.58390603
   0.83421655  0.72222236  0.79425293
   0.57287654  0.83155357  0.49504099
   0.94175018  0.95597817  0.84075258
   0.96454585  0.86047853  0.65998715
   0.72527949  0.94483743  0.73695359
   0.75822983  0.67942024  0.98348943
   0.51537399  0.67305100  0.89382312
   0.75285387  0.86640599  0.58124809
   0.51610121  0.88749670  0.46443311
   0.90681832  0.25842910  0.06825112
   0.88903408  0.41294387  0.39447681
   0.34544140  0.13699525  0.60714670
   0.30420125  0.75673810  0.72774486
   0.26182800  1.14107352  0.23911932
   0.24195186  1.11335413  0.06295020
   0.65349663  0.32678773  0.84970890
   0.89810640  0.42747279  0.67039336
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927043    0.099954   -0.244160
    -0.000000    9.904141    0.018970
    -0.000000    0.000000   13.787357
   Si   O    H 
    32    64    10
Direct configuration=  2760
   0.16320933  0.18164530 -0.01200388
   0.34952526  0.10398580  0.39340334
   0.14392051  0.43541385  0.11977785
   0.38725506  0.34082223  0.24377884
   0.06884823  0.13195218  0.48520703
   0.38952722  0.13567372  0.84824207
   0.10156905  0.35740886  0.63484618
   0.37619821  0.38266010  0.74571724
   0.14161483  0.71048846  0.01178752
   0.42190859  0.58724976  0.36364768
   0.09442964  0.92380046  0.16103936
   0.33818592  0.85545981  0.27071089
   0.16421292  0.59345019  0.48683622
   0.36268507  0.63323709  0.86183206
   0.08895426  0.85347028  0.59166516
   0.35206349  0.99920478  0.66643640
   0.62812464  0.14410893  0.99544481
   0.83218574  0.11939136  0.33367059
   0.61837358  0.40982430  0.11049281
   0.88452929  0.31661110  0.16327841
   0.62562329  0.19843076  0.48782096
   0.89907948  0.09924820  0.89340126
   0.62957074  0.45142077  0.62128136
   0.78114575  0.35920835  0.81313637
   0.59729898  0.67961889 -0.00523256
   0.89422294  0.62314372  0.37429311
   0.56194241  0.92253072  0.13135533
   0.82808803  0.85473647  0.24122681
   0.65392584  0.68607417  0.48390577
   0.85741370  0.64213449  0.89688659
   0.65171109  0.95190595  0.62054294
   0.87108755  0.87144924  0.75696212
   0.07663169  0.08725389  0.17865691
   0.35256790  0.18014426  0.27973268
   0.14132073  0.34288644  0.01522995
   0.40093989  0.42709127  0.34398536
   0.52667275  0.34454296  0.19218145
   0.28830810  0.40725044  0.17522541
   0.20433860  0.14379212  0.42965741
  -0.05078339  0.17896110  0.40900026
   0.07225621 -0.03805669  0.50156448
   0.45026884  0.23026633  0.76835438
   0.05872056  0.20499252  0.59187046
   0.38735259  0.46332098  0.85027729
   0.48200439  0.44392248  0.66927981
   0.23735919  0.33681409  0.70522259
   0.24462732  0.18132995 -0.11225853
   0.01305716  0.12149563  0.97343934
   0.13136340  0.58724058  0.09564595
   0.38253648  0.69704495  0.28165115
   0.15351645  0.85577013  0.06018762
   0.37497311  0.93243616  0.37787060
   0.41012246  0.93498663  0.18026003
   0.17070873  0.86328256  0.26337206
   0.31380150  0.63046606  0.44700560
   0.05351206  0.59344129  0.39754495
   0.15971176  0.43280272  0.52868872
   0.30513348  0.66399183  0.75382580
   0.12345673  0.70152956  0.56627120
   0.34871903  0.99503933  0.79116093
   0.49537535  0.93254442  0.64128995
   0.22794859  0.89209458  0.64474815
   0.26507803  0.69860541 -0.05527626
   0.00535172  0.67585785  0.94572852
   0.59652431  0.07470326  0.10035542
   0.83357481  0.19516930  0.23407108
   0.62585723  0.30610838  0.01265930
   0.83289713  0.47593155  0.35521217
   0.03520806  0.37412007  0.19589921
   0.76622743  0.42977436  0.15653681
   0.69046235  0.16722884  0.37985036
   0.47932638  0.14175644  0.45678868
   0.67512135  0.10162414  0.57702789
   0.89410437  0.23623679  0.82119405
   0.62385757  0.35364399  0.52925665
   0.83298436  0.48626070  0.86894220
   0.99615991  0.44477827  0.69021964
   0.75482879  0.40236611  0.69845928
   0.75423191  0.08147366  0.93046967
   0.48589929  0.09678192  0.93954143
   0.57258055  0.55464349  0.06967842
   0.85741333  0.69538288  0.26636437
   0.54758660  0.82269505  0.03877069
   0.83272327  0.94379071  0.33526792
   0.92930852  0.88120968  0.15439785
   0.67558871  0.85575208  0.20390749
   0.80893552  0.71201175  0.45419410
   0.57026505  0.59085147  0.40947095
   0.67573978  0.59657716  0.58406430
   0.83355394  0.72299597  0.79424015
   0.57312456  0.83060452  0.49510377
   0.94390427  0.95668017  0.83958734
   0.96605600  0.86018385  0.66009395
   0.72398134  0.94525368  0.73669190
   0.75912483  0.68153310  0.98413821
   0.51577918  0.67353711  0.89427176
   0.74845643  0.86747796  0.58361461
   0.51899581  0.89552748  0.46726282
   0.90747231  0.26330628  0.06738018
   0.87837360  0.41753316  0.39444347
   0.34276811  0.13686370  0.60620063
   0.30496515  0.76370835  0.72852235
   0.26750688  1.15031727  0.23556775
   0.23871504  1.11160004  0.05736588
   0.66075292  0.32495381  0.84967743
   0.89797652  0.42750907  0.67182281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.925742    0.099960   -0.246003
    -0.000000    9.903967    0.020044
    -0.000000    0.000000   13.785591
   Si   O    H 
    32    64    10
Direct configuration=  2761
   0.16393428  0.18179813 -0.01110644
   0.34861465  0.10286963  0.39361175
   0.14402150  0.43543895  0.11914885
   0.38624893  0.34241751  0.24224598
   0.06893673  0.13193585  0.48550112
   0.39003671  0.13574359  0.84888713
   0.10225540  0.35658697  0.63410788
   0.37553023  0.38379089  0.74608282
   0.14231450  0.70963195  0.01174013
   0.42162960  0.58786948  0.36383625
   0.09672270  0.92608754  0.16126719
   0.33914725  0.85406841  0.26997305
   0.16497471  0.59241173  0.48633831
   0.36249102  0.63344244  0.86234638
   0.08856826  0.85494432  0.59127016
   0.35250378  0.99875212  0.66670588
   0.62845697  0.14400714  0.99420140
   0.83247998  0.11915560  0.33363668
   0.61865004  0.40886026  0.11004404
   0.88507724  0.31550914  0.16277302
   0.62652574  0.19787236  0.48761470
   0.90007599  0.09960356  0.89275560
   0.62994654  0.45184625  0.62157406
   0.78137664  0.35963139  0.81255063
   0.59756572  0.67984596 -0.00450524
   0.89381851  0.62322690  0.37357292
   0.56245870  0.92233423  0.13202062
   0.82886303  0.85604697  0.24075863
   0.65408402  0.68665599  0.48392950
   0.85682462  0.64225852  0.89728554
   0.65254858  0.95128850  0.62166210
   0.87028830  0.87118914  0.75571300
   0.07931965  0.08784763  0.17968586
   0.35015406  0.17906969  0.27755542
   0.14187108  0.34251294  0.01637479
   0.40072564  0.42690171  0.34450504
   0.52756386  0.34568640  0.19142186
   0.28590066  0.40885890  0.17511805
   0.20433459  0.14444915  0.42883898
  -0.04980537  0.17773101  0.40959110
   0.07196626 -0.03904725  0.50086224
   0.44837911  0.23141989  0.76900205
   0.05986034  0.20478286  0.59061364
   0.38593071  0.46375346  0.84983614
   0.48141302  0.44497157  0.66854900
   0.23588011  0.33555702  0.70481101
   0.24578873  0.18030877 -0.11216349
   0.01243620  0.11929102  0.97374783
   0.13277459  0.58603808  0.09690262
   0.38394387  0.69574019  0.28106835
   0.15241204  0.85701458  0.05902631
   0.37586278  0.93385474  0.37869530
   0.41216725  0.93587637  0.18034933
   0.17057281  0.86377309  0.26325158
   0.31164136  0.63034531  0.44750822
   0.05155445  0.59678134  0.39664456
   0.16159491  0.43165390  0.52977826
   0.30423344  0.66524205  0.75406248
   0.12355402  0.69990321  0.56688723
   0.34779291  0.99475523  0.78973553
   0.49593017  0.93258182  0.64184317
   0.22820515  0.89245100  0.64519281
   0.26845696  0.69913617 -0.05300247
   0.00705364  0.67361129  0.94352871
   0.59732461  0.07588244  0.10076491
   0.83405416  0.19679014  0.23325990
   0.62600003  0.30650506  0.01386464
   0.83208086  0.47574342  0.35428898
   0.03534979  0.37471567  0.19578790
   0.76635854  0.42944455  0.15696790
   0.69212777  0.16888999  0.38020779
   0.47913036  0.14176671  0.45668466
   0.67518388  0.10173035  0.57674712
   0.89425949  0.23730904  0.82099427
   0.62240847  0.35393007  0.52859181
   0.83378348  0.48707015  0.86758572
   0.99765757  0.44481662  0.69007643
   0.75502581  0.40273192  0.70032346
   0.75341022  0.08299220  0.93055164
   0.48364951  0.09659338  0.93912025
   0.57338386  0.55235085  0.07220403
   0.85668356  0.69465370  0.26799235
   0.54501208  0.82370398  0.03846512
   0.83203941  0.94491856  0.33475289
   0.93097776  0.87975841  0.15422113
   0.67439406  0.85695890  0.20455005
   0.80943466  0.71015314  0.45370109
   0.57023894  0.59143938  0.40981727
   0.67540020  0.59654658  0.58411140
   0.83350265  0.72375893  0.79467894
   0.57398339  0.82864037  0.49522748
   0.94691129  0.95859953  0.83898765
   0.96686403  0.86090121  0.66082394
   0.72359750  0.94627258  0.73636015
   0.76000462  0.68320912  0.98428454
   0.51571523  0.67319588  0.89488647
   0.75269458  0.86315579  0.58241539
   0.51506492  0.90460735  0.46339180
   0.90725392  0.27075886  0.06600621
   0.87963480  0.40855755  0.40201857
   0.33789238  0.13193675  0.60866784
   0.30623448  0.76172572  0.73039927
   0.27435583  1.15831294  0.23348290
   0.23847793  1.10823592  0.05559371
   0.66080476  0.31801616  0.85241277
   0.89787869  0.42867711  0.67387348
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924499    0.099304   -0.247953
    -0.000000    9.903894    0.021158
    -0.000000    0.000000   13.784059
   Si   O    H 
    32    64    10
Direct configuration=  2762
   0.16440226  0.18203047 -0.01067882
   0.34770131  0.10102273  0.39368904
   0.14393595  0.43451601  0.11901766
   0.38544209  0.34456400  0.24106204
   0.06921223  0.13193517  0.48599321
   0.38989588  0.13557921  0.84945079
   0.10321129  0.35571421  0.63323456
   0.37530328  0.38452892  0.74609187
   0.14259652  0.70874061  0.01101494
   0.42089705  0.58811027  0.36459756
   0.09822408  0.92830478  0.16144529
   0.33979787  0.85280800  0.27001306
   0.16531467  0.59131304  0.48600444
   0.36256297  0.63341235  0.86277954
   0.08787400  0.85649473  0.59169176
   0.35256460  0.99822973  0.66716188
   0.62904077  0.14345289  0.99335816
   0.83284684  0.11852823  0.33372665
   0.61959930  0.40770363  0.10959170
   0.88552491  0.31463227  0.16266289
   0.62724042  0.19674692  0.48745578
   0.90173119  0.10050167  0.89160083
   0.62999419  0.45214618  0.62191921
   0.78204875  0.35922682  0.81195743
   0.59756409  0.67999572 -0.00335413
   0.89299378  0.62311544  0.37269726
   0.56337242  0.92251209  0.13273818
   0.82974322  0.85743483  0.24049689
   0.65433706  0.68726525  0.48397167
   0.85642845  0.64249111  0.89789392
   0.65377532  0.95078128  0.62249252
   0.86920249  0.87103501  0.75420611
   0.08202369  0.08826333  0.18001219
   0.34894757  0.17837119  0.27556821
   0.14199353  0.34329346  0.01718905
   0.39988190  0.42657994  0.34487059
   0.52897301  0.34563904  0.19095782
   0.28317932  0.41037212  0.17460688
   0.20478953  0.14540724  0.42816625
  -0.04901865  0.17630257  0.41007461
   0.07179827 -0.03934743  0.50037237
   0.44655241  0.23263817  0.76972248
   0.06115653  0.20386546  0.58928936
   0.38475291  0.46415550  0.84912789
   0.48062927  0.44593005  0.66771062
   0.23405172  0.33393871  0.70424024
   0.24667617  0.18023896 -0.11195945
   0.01281237  0.11713918  0.97430884
   0.13417038  0.58706874  0.09814801
   0.38499704  0.69457030  0.28002822
   0.15118174  0.85855686  0.05791887
   0.37690911  0.93528218  0.37851787
   0.41375927  0.93667441  0.18041161
   0.17074407  0.86460606  0.26339172
   0.31051644  0.63029271  0.44741716
   0.05081415  0.59960860  0.39588408
   0.16349761  0.43019610  0.53118267
   0.30341213  0.66714287  0.75422559
   0.12347477  0.69850172  0.56748185
   0.34693658  0.99416007  0.78834844
   0.49526687  0.93290400  0.64238418
   0.22870191  0.89325462  0.64606586
   0.27205911  0.69876746 -0.05080896
   0.00825040  0.67106135  0.94161363
   0.59818484  0.07632977  0.10082700
   0.83481603  0.19813879  0.23301394
   0.62638200  0.30700526  0.01522542
   0.83162447  0.47553853  0.35373045
   0.03485301  0.37570117  0.19566722
   0.76660728  0.42837683  0.15764449
   0.69397604  0.17058753  0.38102239
   0.47911240  0.14185609  0.45649695
   0.67510328  0.10123962  0.57643631
   0.89439913  0.23876294  0.82100858
   0.62168032  0.35360300  0.52853011
   0.83459848  0.48786673  0.86682619
   0.99843341  0.44521993  0.69002844
   0.75616280  0.40304292  0.70118023
   0.75212075  0.08434329  0.93126994
   0.48189397  0.09680095  0.93870732
   0.57345346  0.55068315  0.07390142
   0.85646406  0.69461534  0.26940828
   0.54244016  0.82409506  0.03814334
   0.83176584  0.94780620  0.33442594
   0.93270428  0.87766460  0.15347148
   0.67295109  0.85793953  0.20505362
   0.80991709  0.70800623  0.45334894
   0.56987727  0.59148938  0.41038346
   0.67512571  0.59565472  0.58334518
   0.83391362  0.72441997  0.79590830
   0.57405675  0.82716794  0.49484181
   0.95044944  0.96035981  0.83780598
   0.96646233  0.86195754  0.66169629
   0.72389072  0.94773956  0.73624929
   0.76081513  0.68454430  0.98530308
   0.51547363  0.67348502  0.89521182
   0.75978158  0.85312293  0.58000541
   0.51253346  0.90494479  0.46059595
   0.91002338  0.27267105  0.06219374
   0.87545459  0.40499527  0.40353886
   0.33111412  0.12185202  0.61094217
   0.30793762  0.75753241  0.73480554
   0.27308546  1.16200172  0.22875003
   0.24501627  1.10437860  0.05656966
   0.65710701  0.30987027  0.85653365
   0.90021228  0.42805625  0.67810467
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923726    0.098766   -0.249629
    -0.000000    9.903957    0.021850
    -0.000000    0.000000   13.782580
   Si   O    H 
    32    64    10
Direct configuration=  2763
   0.16469083  0.18194120 -0.00995680
   0.34697803  0.09894879  0.39370904
   0.14312486  0.43302335  0.11913339
   0.38501757  0.34631668  0.24041672
   0.06890724  0.13168400  0.48620365
   0.38934986  0.13532296  0.84991644
   0.10390793  0.35501644  0.63253617
   0.37518726  0.38523679  0.74572749
   0.14233787  0.70773363  0.01074072
   0.41970940  0.58886409  0.36557900
   0.09942141  0.93081973  0.16163475
   0.34029433  0.85184887  0.27065757
   0.16599485  0.59054347  0.48583106
   0.36225888  0.63304053  0.86326928
   0.08681904  0.85691220  0.59171996
   0.35255652  0.99795994  0.66803022
   0.62909534  0.14278799  0.99251970
   0.83281839  0.11801314  0.33387919
   0.62134562  0.40628685  0.10895465
   0.88565333  0.31437046  0.16262892
   0.62733471  0.19589446  0.48728626
   0.90279257  0.10089416  0.89042830
   0.63035966  0.45173407  0.62271279
   0.78290856  0.35815578  0.81196477
   0.59680913  0.68057425 -0.00220832
   0.89217646  0.62318792  0.37196018
   0.56407447  0.92272552  0.13312343
   0.83042311  0.85825095  0.24043596
   0.65463629  0.68681015  0.48368951
   0.85606139  0.64281400  0.89800771
   0.65459096  0.95047009  0.62317297
   0.86781753  0.87085344  0.75288874
   0.08505067  0.08810139  0.17991119
   0.34763199  0.17847067  0.27355597
   0.14243344  0.34404448  0.01826221
   0.39837756  0.42571443  0.34477936
   0.52999033  0.34537994  0.18993876
   0.28041143  0.41286988  0.17350401
   0.20552007  0.14515589  0.42792450
  -0.04865694  0.17517044  0.41076658
   0.07126108 -0.03874508  0.50012914
   0.44429964  0.23390018  0.77005774
   0.06220130  0.20274395  0.58810877
   0.38331962  0.46505361  0.84846872
   0.48037406  0.44688642  0.66782476
   0.23129321  0.33268145  0.70354011
   0.24692880  0.18050559 -0.11142385
   0.01369628  0.11508220  0.97490509
   0.13520525  0.58905134  0.09887074
   0.38561382  0.69349683  0.27909261
   0.14957611  0.85954724  0.05683204
   0.37794404  0.93705066  0.37870998
   0.41503222  0.93725435  0.18088401
   0.17114851  0.86529841  0.26355855
   0.30969248  0.63045602  0.44781879
   0.05049902  0.60189107  0.39527534
   0.16539360  0.42954980  0.53205985
   0.30299023  0.66848227  0.75510979
   0.12304776  0.69726795  0.56812212
   0.34717283  0.99352404  0.78745575
   0.49408589  0.93455220  0.64297968
   0.22945323  0.89401589  0.64698206
   0.27518168  0.69909540 -0.04929929
   0.00906927  0.66926920  0.94041049
   0.59953797  0.07616072  0.10026943
   0.83561791  0.19909593  0.23306252
   0.62674316  0.30671344  0.01568223
   0.83129934  0.47453989  0.35339839
   0.03479100  0.37658273  0.19610328
   0.76742386  0.42664133  0.15809313
   0.69539157  0.17193855  0.38153297
   0.47916989  0.14260011  0.45636100
   0.67396262  0.10040696  0.57625069
   0.89494343  0.23995003  0.82115637
   0.62091081  0.35274700  0.52889454
   0.83502715  0.48812338  0.86661137
   0.99889844  0.44652941  0.68952046
   0.75619728  0.40348469  0.70160776
   0.75058041  0.08577884  0.93223575
   0.48091650  0.09718380  0.93891659
   0.57271206  0.55027271  0.07534497
   0.85612265  0.69442263  0.27097808
   0.54002335  0.82331903  0.03811310
   0.83161715  0.95100635  0.33458041
   0.93464091  0.87649946  0.15264739
   0.67094537  0.85903125  0.20596241
   0.81004346  0.70599524  0.45303231
   0.56959807  0.59146249  0.41080746
   0.67462356  0.59541586  0.58255337
   0.83430582  0.72570490  0.79684585
   0.57362027  0.82699389  0.49400340
   0.95348907  0.96282897  0.83633773
   0.96540798  0.86345431  0.66310184
   0.72459157  0.94882208  0.73577075
   0.76173075  0.68497557  0.98609476
   0.51532840  0.67340165  0.89594946
   0.76261290  0.84901284  0.58100391
   0.51233756  0.89321442  0.45832446
   0.91098096  0.27148221  0.06255829
   0.86746981  0.40697416  0.40012991
   0.32209540  0.11209986  0.61257556
   0.30736046  0.76357784  0.73519755
   0.26944751  1.15920892  0.22522996
   0.25010907  1.09693473  0.05761865
   0.65367281  0.30546917  0.86205004
   0.90467749  0.42849038  0.68327069
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922935    0.098276   -0.251437
    -0.000000    9.904387    0.022116
    -0.000000    0.000000   13.781471
   Si   O    H 
    32    64    10
Direct configuration=  2764
   0.16491143  0.18162083 -0.00970924
   0.34693566  0.09698108  0.39388449
   0.14240145  0.43191898  0.11905565
   0.38542082  0.34711151  0.24030748
   0.06881107  0.13113300  0.48666364
   0.38836564  0.13439412  0.85041201
   0.10497412  0.35427438  0.63181525
   0.37500031  0.38575990  0.74523663
   0.14140922  0.70665202  0.01074243
   0.41797913  0.58916858  0.36675555
   0.10029501  0.93374332  0.16184139
   0.34005271  0.85148726  0.27108717
   0.16601792  0.58924289  0.48554533
   0.36247313  0.63280977  0.86344785
   0.08630866  0.85689926  0.59116294
   0.35306031  0.99768242  0.66906872
   0.62810010  0.14257497  0.99172471
   0.83287638  0.11824255  0.33448769
   0.62323353  0.40515438  0.10793020
   0.88591974  0.31362560  0.16254144
   0.62724675  0.19516188  0.48632549
   0.90357267  0.10082750  0.88977403
   0.63023136  0.45128132  0.62362641
   0.78281652  0.35711518  0.81203427
   0.59597793  0.68100977 -0.00098300
   0.89235606  0.62313653  0.37146334
   0.56417511  0.92358993  0.13314662
   0.83175386  0.85853952  0.24016492
   0.65524503  0.68664405  0.48381220
   0.85605568  0.64335342  0.89816245
   0.65558030  0.94955210  0.62365347
   0.86680493  0.87081498  0.75182294
   0.08758385  0.08918734  0.17991991
   0.34625258  0.17876054  0.27174434
   0.14296931  0.34446529  0.01881188
   0.39618515  0.42482943  0.34446782
   0.53033512  0.34533217  0.18852168
   0.27729107  0.41579111  0.17261375
   0.20592651  0.14582946  0.42781941
  -0.04874683  0.17481391  0.41119149
   0.07053883 -0.03784478  0.50004025
   0.44247629  0.23636789  0.76987559
   0.06276136  0.20187926  0.58756342
   0.38142561  0.46631875  0.84767030
   0.48091791  0.44771036  0.66777880
   0.22883503  0.33223775  0.70329252
   0.24598323  0.18111274 -0.11137250
   0.01492097  0.11403842  0.97615083
   0.13636593  0.59184185  0.09939150
   0.38630667  0.69273770  0.27833636
   0.14817987  0.86018639  0.05612657
   0.37892358  0.93766994  0.37821883
   0.41521925  0.93753721  0.18144790
   0.17244284  0.86569318  0.26359969
   0.30895482  0.63078996  0.44782927
   0.05095765  0.60458376  0.39433862
   0.16720255  0.42924578  0.53280383
   0.30268941  0.66904629  0.75621777
   0.12204804  0.69667064  0.56786532
   0.34659962  0.99318263  0.78708618
   0.49299120  0.93605680  0.64270790
   0.23027019  0.89506356  0.64776358
   0.27800418  0.69918222 -0.04764603
   0.00989415  0.66800670  0.93916861
   0.60174906  0.07607172  0.09934813
   0.83680165  0.19959369  0.23332971
   0.62667248  0.30581831  0.01628431
   0.83120110  0.47319084  0.35349046
   0.03495054  0.37788674  0.19639744
   0.76795317  0.42487335  0.15845279
   0.69765990  0.17379834  0.38265246
   0.47843178  0.14335184  0.45609003
   0.67303720  0.10024622  0.57596250
   0.89554653  0.24090063  0.82140044
   0.61960368  0.35013499  0.52919810
   0.83584105  0.48884915  0.86660027
   0.99859480  0.44814037  0.68914482
   0.75453956  0.40359649  0.70136734
   0.74927922  0.08656483  0.93240455
   0.48096379  0.09693636  0.93910416
   0.57204436  0.55014899  0.07636519
   0.85643093  0.69391387  0.27223064
   0.53789327  0.82251882  0.03780261
   0.83203121  0.95368805  0.33440439
   0.93665520  0.87540163  0.15185914
   0.66947805  0.85971993  0.20672342
   0.80949790  0.70393086  0.45239373
   0.56898812  0.59221309  0.41121296
   0.67373767  0.59521937  0.58129991
   0.83462371  0.72655231  0.79791633
   0.57311125  0.82762379  0.49317120
   0.95490401  0.96435114  0.83441226
   0.96397663  0.86463888  0.66464732
   0.72479533  0.95015158  0.73529570
   0.76232741  0.68560751  0.98702040
   0.51490903  0.67205726  0.89652236
   0.75968998  0.84910073  0.58404382
   0.51074365  0.87631273  0.45611106
   0.91165283  0.26845073  0.06088693
   0.85963561  0.41212814  0.39398049
   0.31230801  0.10786791  0.61117305
   0.30485955  0.77291744  0.73671645
   0.26136432  1.15628264  0.22305947
   0.24992993  1.09274597  0.05726474
   0.65324167  0.30503216  0.86240614
   0.89857586  0.42975560  0.68645281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922373    0.096558   -0.252921
    -0.000000    9.904708    0.022545
    -0.000000    0.000000   13.780215
   Si   O    H 
    32    64    10
Direct configuration=  2765
   0.16512553  0.18137934 -0.00964395
   0.34688043  0.09416354  0.39377384
   0.14180761  0.43160052  0.11827344
   0.38633849  0.34778562  0.24058804
   0.06873234  0.12997642  0.48690884
   0.38714577  0.13281186  0.85074780
   0.10543051  0.35345249  0.63123839
   0.37526788  0.38644008  0.74460246
   0.14007084  0.70540300  0.01094890
   0.41624881  0.58916914  0.36787069
   0.10102136  0.93592409  0.16158375
   0.33959554  0.85166196  0.27127534
   0.16605622  0.58799053  0.48543295
   0.36262446  0.63249347  0.86404626
   0.08606349  0.85729315  0.59093761
   0.35312197  0.99743980  0.67026520
   0.62670468  0.14274680  0.99150058
   0.83339954  0.11820178  0.33449235
   0.62428909  0.40396252  0.10701926
   0.88694235  0.31306069  0.16228350
   0.62696850  0.19475641  0.48546277
   0.90410546  0.10081993  0.88885079
   0.63006356  0.45037878  0.62441711
   0.78265235  0.35576562  0.81246976
   0.59501411  0.68183509  0.00009333
   0.89280588  0.62276093  0.37107182
   0.56398067  0.92386586  0.13316334
   0.83329668  0.85805406  0.24002094
   0.65576518  0.68678992  0.48392857
   0.85637038  0.64406657  0.89834661
   0.65585107  0.94823854  0.62412253
   0.86555448  0.87128843  0.75115952
   0.09033142  0.09019788  0.17981495
   0.34494406  0.17928872  0.26982410
   0.14409301  0.34406150  0.01918953
   0.39393102  0.42414161  0.34437314
   0.53115677  0.34580839  0.18780575
   0.27477552  0.41798904  0.17158379
   0.20547892  0.14635114  0.42788564
  -0.04889981  0.17392361  0.41088635
   0.06921041 -0.03729337  0.49964098
   0.44119282  0.23887846  0.77015994
   0.06312709  0.20168918  0.58771866
   0.38065918  0.46772229  0.84663854
   0.48192304  0.44885270  0.66833256
   0.22627930  0.33176183  0.70334910
   0.24570334  0.18220057 -0.11070570
   0.01547826  0.11349569  0.97722405
   0.13665617  0.59456958  0.09929244
   0.38757936  0.69230812  0.27813756
   0.14781799  0.86044448  0.05587094
   0.37938565  0.93886022  0.37778900
   0.41546862  0.93751706  0.18177454
   0.17395455  0.86537080  0.26401790
   0.30846114  0.63157888  0.44763350
   0.05147740  0.60698088  0.39390731
   0.16874116  0.42991606  0.53357203
   0.30264599  0.66911696  0.75706526
   0.12143978  0.69620174  0.56746072
   0.34565459  0.99340331  0.78655796
   0.49206641  0.93705801  0.64264991
   0.23100339  0.89608003  0.64847961
   0.28094161  0.69865516 -0.04573552
   0.01064030  0.66718608  0.93855672
   0.60405036  0.07511509  0.09854564
   0.83833402  0.19915568  0.23348821
   0.62618521  0.30475778  0.01640936
   0.83078560  0.47243119  0.35280142
   0.03354242  0.37906226  0.19699741
   0.76875593  0.42284518  0.15836953
   0.70045657  0.17530479  0.38364967
   0.47665679  0.14366325  0.45576189
   0.67226467  0.09972423  0.57574187
   0.89642900  0.24102884  0.82162508
   0.61856390  0.34774184  0.52968519
   0.83715553  0.48938610  0.86613964
   0.99760466  0.44952510  0.68874790
   0.75235494  0.40399247  0.70036246
   0.74899290  0.08745128  0.93266872
   0.48129321  0.09651872  0.93940660
   0.57147463  0.55107849  0.07678040
   0.85608880  0.69406679  0.27318184
   0.53613712  0.82228256  0.03793094
   0.83258513  0.95677452  0.33470703
   0.93906743  0.87433388  0.15117534
   0.66924436  0.86097261  0.20766397
   0.80990620  0.70226054  0.45203518
   0.56784724  0.59231505  0.41180078
   0.67269985  0.59557995  0.58034361
   0.83510277  0.72647311  0.79834361
   0.57268055  0.82853732  0.49237336
   0.95586263  0.96576259  0.83259016
   0.96335430  0.86492217  0.66611346
   0.72447480  0.95231755  0.73466424
   0.76234366  0.68686077  0.98763005
   0.51420861  0.67121687  0.89683901
   0.75607192  0.85294749  0.58602400
   0.49980547  0.86520352  0.44836553
   0.91102845  0.26581602  0.06170759
   0.86373965  0.39365260  0.40149631
   0.30405308  0.11405578  0.60736456
   0.30045068  0.77038283  0.73803732
   0.25420494  1.14864911  0.22597987
   0.25162281  1.09213280  0.05624432
   0.65649505  0.30857070  0.85821330
   0.89500912  0.43284685  0.68650409
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922112    0.094799   -0.254270
    -0.000000    9.904858    0.022758
    -0.000000    0.000000   13.779101
   Si   O    H 
    32    64    10
Direct configuration=  2766
   0.16525954  0.18061173 -0.00978188
   0.34731154  0.09179347  0.39388894
   0.14046496  0.43155733  0.11755769
   0.38745194  0.34859406  0.24066153
   0.06860137  0.12840054  0.48700286
   0.38626759  0.13114994  0.85123196
   0.10570742  0.35273228  0.63072294
   0.37529569  0.38762546  0.74347925
   0.13857744  0.70450220  0.01147017
   0.41447878  0.58910441  0.36919545
   0.10233918  0.93722735  0.16150045
   0.33932368  0.85186672  0.27150241
   0.16558240  0.58691522  0.48523138
   0.36290415  0.63176678  0.86504703
   0.08623187  0.85724043  0.59106781
   0.35240922  0.99705329  0.67141720
   0.62541952  0.14300843  0.99151875
   0.83373747  0.11845121  0.33460487
   0.62521760  0.40359302  0.10616793
   0.88818810  0.31256080  0.16208973
   0.62669029  0.19456228  0.48474796
   0.90465402  0.10118462  0.88774561
   0.62938740  0.44920972  0.62493843
   0.78299529  0.35461203  0.81314685
   0.59372385  0.68180634  0.00119169
   0.89276304  0.62206470  0.37104239
   0.56362759  0.92347632  0.13288978
   0.83442413  0.85721728  0.24029916
   0.65560325  0.68695867  0.48422594
   0.85690066  0.64471027  0.89893975
   0.65615327  0.94720555  0.62460279
   0.86443358  0.87162331  0.75121817
   0.09273914  0.09134396  0.17934209
   0.34298243  0.18004374  0.26839099
   0.14536692  0.34417127  0.01935405
   0.39243958  0.42439351  0.34432813
   0.53157655  0.34619218  0.18710683
   0.27372293  0.41938708  0.17104000
   0.20549515  0.14615043  0.42858725
  -0.04970824  0.17320173  0.41052175
   0.06820943 -0.03658621  0.49910372
   0.44007098  0.24061145  0.77093887
   0.06331562  0.20179917  0.58846419
   0.37956799  0.46889805  0.84606779
   0.48219794  0.44962909  0.66926285
   0.22565590  0.33153715  0.70396416
   0.24500671  0.18429990 -0.11024916
   0.01655615  0.11335326  0.97798635
   0.13730085  0.59682113  0.09932359
   0.38912314  0.69227393  0.27746332
   0.14724686  0.86134812  0.05601253
   0.37949035  0.93878900  0.37706425
   0.41495376  0.93717366  0.18231175
   0.17489864  0.86530870  0.26380856
   0.30808446  0.63257966  0.44707721
   0.05225303  0.60886847  0.39397423
   0.17012331  0.43068434  0.53386410
   0.30290335  0.67021058  0.75810653
   0.12090142  0.69602003  0.56721548
   0.34469077  0.99392049  0.78649292
   0.49209856  0.93774140  0.64304916
   0.23091057  0.89659596  0.64938641
   0.28275889  0.69922214 -0.04443521
   0.01166398  0.66619853  0.93837995
   0.60701678  0.07367598  0.09788772
   0.83932984  0.19827191  0.23422570
   0.62534102  0.30402905  0.01647864
   0.83128246  0.47133992  0.35237485
   0.03242135  0.38023759  0.19735312
   0.76973207  0.42166170  0.15790013
   0.70243521  0.17608599  0.38395869
   0.47492092  0.14401658  0.45507566
   0.67222425  0.09790234  0.57553562
   0.89722540  0.24074212  0.82145382
   0.61782670  0.34573123  0.53061278
   0.83803355  0.48968982  0.86568375
   0.99592799  0.45039805  0.68806113
   0.75072237  0.40420268  0.69966544
   0.75001158  0.08806254  0.93283879
   0.48224928  0.09579272  0.94018438
   0.57056100  0.55308819  0.07695538
   0.85658316  0.69479186  0.27373046
   0.53493635  0.82266528  0.03803065
   0.83352503  0.95907120  0.33445793
   0.94054690  0.87319692  0.15074014
   0.66973053  0.86192331  0.20900043
   0.81025358  0.70117674  0.45151027
   0.56657413  0.59264760  0.41234015
   0.67152783  0.59601202  0.57985839
   0.83615486  0.72613791  0.79900226
   0.57204918  0.83035527  0.49103409
   0.95647736  0.96725691  0.83116222
   0.96274713  0.86457253  0.66681740
   0.72345118  0.95445742  0.73423566
   0.76203462  0.68765741  0.98846556
   0.51348579  0.67077447  0.89633980
   0.75458249  0.85598977  0.58820207
   0.49020488  0.85811696  0.44340933
   0.91144624  0.25974877  0.06321818
   0.86395990  0.38725086  0.40313929
   0.29929801  0.11681910  0.60547690
   0.29263393  0.75758086  0.74116305
   0.24960488  1.14327425  0.22690468
   0.25016107  1.09275641  0.05375322
   0.65958930  0.31444801  0.85195116
   0.89392191  0.44116236  0.68234702
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921941    0.093854   -0.255358
    -0.000000    9.905266    0.023663
    -0.000000    0.000000   13.778020
   Si   O    H 
    32    64    10
Direct configuration=  2767
   0.16521275  0.17993884 -0.00954712
   0.34839910  0.09060995  0.39371951
   0.13943684  0.43181265  0.11695651
   0.38773492  0.34917067  0.24111942
   0.06837535  0.12703592  0.48702154
   0.38489665  0.12918113  0.85161312
   0.10603043  0.35233739  0.63013510
   0.37538081  0.38839462  0.74226354
   0.13643267  0.70395376  0.01194454
   0.41338045  0.58852741  0.37045729
   0.10354379  0.93836265  0.16105264
   0.33949402  0.85202144  0.27158520
   0.16511128  0.58601522  0.48512789
   0.36316479  0.63119086  0.86632166
   0.08664709  0.85713019  0.59081903
   0.35172944  0.99653220  0.67240546
   0.62412437  0.14276233  0.99213451
   0.83383656  0.11941749  0.33498886
   0.62601896  0.40397833  0.10547216
   0.88986178  0.31249005  0.16203892
   0.62641740  0.19478885  0.48445880
   0.90583882  0.10223947  0.88718920
   0.62875087  0.44870762  0.62551031
   0.78352139  0.35336257  0.81344906
   0.59247984  0.68233708  0.00218723
   0.89271915  0.62128951  0.37101323
   0.56358872  0.92324871  0.13234223
   0.83544849  0.85581769  0.24082666
   0.65493326  0.68741607  0.48437742
   0.85767704  0.64519361  0.89952077
   0.65607784  0.94678425  0.62473779
   0.86361773  0.87311516  0.75155106
   0.09527027  0.09220616  0.17970294
   0.34048221  0.18119012  0.26709020
   0.14637050  0.34361199  0.02018301
   0.39014483  0.42372171  0.34408493
   0.53049655  0.34670008  0.18720236
   0.27409469  0.42029224  0.17090610
   0.20528130  0.14629947  0.42937742
  -0.05050802  0.17299082  0.41000369
   0.06694036 -0.03652506  0.49882776
   0.44017005  0.24199243  0.77233748
   0.06315878  0.20187691  0.58940950
   0.37811897  0.46940991  0.84557746
   0.48118036  0.45087071  0.66990585
   0.22584932  0.33221917  0.70477882
   0.24373810  0.18615576 -0.11015130
   0.01734477  0.11360979  0.97893865
   0.13710775  0.59886959  0.09954430
   0.39027606  0.69211349  0.27715967
   0.14689234  0.86191499  0.05611504
   0.37992829  0.93849179  0.37626402
   0.41518432  0.93639142  0.18316824
   0.17602451  0.86568587  0.26336681
   0.30819907  0.63361571  0.44667049
   0.05293585  0.61047126  0.39456550
   0.17173474  0.43210974  0.53393269
   0.30345531  0.67014335  0.75884459
   0.11965590  0.69669879  0.56724297
   0.34466108  0.99507867  0.78666070
   0.49254007  0.93826050  0.64291738
   0.23019376  0.89687495  0.65001662
   0.28362594  0.69958961 -0.04334940
   0.01185618  0.66557315  0.93839451
   0.60931069  0.07228054  0.09743990
   0.83979268  0.19721613  0.23461021
   0.62441502  0.30311613  0.01599390
   0.83185801  0.46921253  0.35236589
   0.03176455  0.38128754  0.19765783
   0.77030582  0.42115032  0.15743332
   0.70321900  0.17705191  0.38453093
   0.47314867  0.14455067  0.45412910
   0.67248817  0.09629405  0.57533262
   0.89846114  0.23995460  0.82080332
   0.61739229  0.34367086  0.53146669
   0.83903677  0.48998136  0.86582867
   0.99473933  0.45108415  0.68785465
   0.74905352  0.40382197  0.69938015
   0.75103619  0.08904073  0.93339994
   0.48338492  0.09475077  0.94085251
   0.56892601  0.55537354  0.07680147
   0.85682254  0.69683175  0.27391944
   0.53380162  0.82309423  0.03805673
   0.83457868  0.96205901  0.33366393
   0.94156856  0.87271077  0.15092306
   0.67040285  0.86267418  0.21054514
   0.81107501  0.70077449  0.45111535
   0.56497463  0.59251799  0.41275821
   0.67007349  0.59664195  0.57999000
   0.83799111  0.72606892  0.79969685
   0.57138309  0.83286715  0.48877103
   0.95701258  0.96812183  0.82967838
   0.96363381  0.86455866  0.66587906
   0.72225017  0.95712718  0.73325078
   0.76099757  0.68902397  0.98898477
   0.51389870  0.66900892  0.89578010
   0.75277312  0.85776724  0.58889673
   0.48822792  0.85301947  0.44499872
   0.91097819  0.25301160  0.06625388
   0.86262714  0.39275711  0.39627179
   0.29811437  0.11917529  0.60453815
   0.28404870  0.76705459  0.73528342
   0.24853278  1.13836228  0.22680326
   0.25183791  1.09240705  0.04934439
   0.66096725  0.32071833  0.84845330
   0.89753545  0.44448923  0.67952656
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921868    0.092846   -0.256375
    -0.000000    9.905618    0.024271
    -0.000000    0.000000   13.777321
   Si   O    H 
    32    64    10
Direct configuration=  2768
   0.16517867  0.17946893 -0.00937573
   0.34906554  0.08998178  0.39359379
   0.13842204  0.43210128  0.11648668
   0.38833840  0.34912592  0.24129832
   0.06867568  0.12626800  0.48722307
   0.38276840  0.12770713  0.85212479
   0.10683851  0.35251912  0.62954536
   0.37514113  0.38862790  0.74087506
   0.13409291  0.70356531  0.01242169
   0.41258445  0.58811406  0.37175528
   0.10428066  0.93879617  0.16064099
   0.33945789  0.85190710  0.27173750
   0.16486721  0.58582715  0.48489106
   0.36334649  0.63126496  0.86757621
   0.08749160  0.85663771  0.59055177
   0.35147081  0.99650021  0.67280893
   0.62277207  0.14257424  0.99277945
   0.83404993  0.12078623  0.33515493
   0.62657967  0.40480999  0.10514113
   0.89192959  0.31206266  0.16208109
   0.62609844  0.19471871  0.48440343
   0.90723504  0.10332396  0.88677493
   0.62820001  0.44876266  0.62559801
   0.78389620  0.35288141  0.81399272
   0.59156478  0.68296876  0.00271279
   0.89268427  0.61995568  0.37086567
   0.56298153  0.92222037  0.13141666
   0.83556075  0.85425430  0.24111925
   0.65495500  0.68681782  0.48470273
   0.85870736  0.64605279  0.90018223
   0.65545159  0.94706817  0.62474269
   0.86331046  0.87490248  0.75207347
   0.09778501  0.09398499  0.17982607
   0.33868799  0.18204535  0.26647005
   0.14709389  0.34253950  0.02047102
   0.38879418  0.42338311  0.34391038
   0.52890649  0.34771573  0.18726367
   0.27577180  0.42047881  0.17181161
   0.20510233  0.14657356  0.42961719
  -0.05145845  0.17256455  0.40969527
   0.06594370 -0.03657943  0.49896350
   0.43994243  0.24276329  0.77386797
   0.06267494  0.20189389  0.59032714
   0.37635920  0.46982139  0.84527432
   0.48100757  0.45237143  0.66987939
   0.22574694  0.33390525  0.70559249
   0.24264933  0.18750988 -0.11030837
   0.01824377  0.11418960  0.97956053
   0.13630190  0.60008806  0.09985296
   0.39188643  0.69213680  0.27729169
   0.14660146  0.86266414  0.05629280
   0.37975000  0.93748188  0.37499004
   0.41485218  0.93496001  0.18391415
   0.17727026  0.86589730  0.26252225
   0.30812393  0.63487410  0.44707444
   0.05428849  0.61155186  0.39533410
   0.17313188  0.43257166  0.53374280
   0.30356897  0.67088334  0.75935377
   0.11857295  0.69862037  0.56710578
   0.34467560  0.99569674  0.78699930
   0.49314741  0.93938046  0.64306537
   0.22903695  0.89738299  0.65033304
   0.28405516  0.69943787 -0.04245993
   0.01152311  0.66529230  0.93869531
   0.61171456  0.07076863  0.09691210
   0.83993857  0.19581876  0.23498803
   0.62362182  0.30253695  0.01577542
   0.83302514  0.46675002  0.35317720
   0.03143616  0.38268560  0.19778700
   0.77038603  0.42116131  0.15696136
   0.70334129  0.17788499  0.38529185
   0.47139010  0.14449584  0.45331248
   0.67340269  0.09477987  0.57513520
   0.90050440  0.23933474  0.82060265
   0.61695096  0.34220092  0.53230593
   0.84123827  0.48997057  0.86591030
   0.99350330  0.45090328  0.68758541
   0.74755471  0.40382774  0.69871583
   0.75191791  0.09009304  0.93398350
   0.48482106  0.09410319  0.94153038
   0.56691022  0.55729292  0.07625055
   0.85719096  0.69882513  0.27377153
   0.53278066  0.82367212  0.03809816
   0.83570567  0.96442674  0.33330867
   0.94192476  0.87141005  0.15166129
   0.67106206  0.86388843  0.21218045
   0.81181601  0.70053566  0.45133010
   0.56311682  0.59232215  0.41284103
   0.66893367  0.59612607  0.57957324
   0.83979597  0.72576449  0.79979541
   0.56985868  0.83520671  0.48695942
   0.95669630  0.96901260  0.82897910
   0.96487960  0.86467932  0.66429720
   0.72158881  0.95983133  0.73241122
   0.75983616  0.69021471  0.98925256
   0.51466054  0.66763202  0.89524659
   0.75520782  0.85208610  0.58654305
   0.49128918  0.85252883  0.45133257
   0.90936317  0.24809341  0.06814322
   0.85924904  0.39917329  0.38575173
   0.30331238  0.11782434  0.60750730
   0.27876411  0.76851555  0.73171328
   0.24977560  1.13620683  0.22783620
   0.25315501  1.09036254  0.04917934
   0.65303420  0.32266125  0.84603013
   0.89789415  0.44133601  0.67354960
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921322    0.091358   -0.257473
    -0.000000    9.906275    0.024610
    -0.000000    0.000000   13.776548
   Si   O    H 
    32    64    10
Direct configuration=  2769
   0.16534134  0.17918964 -0.00891577
   0.35004046  0.09000713  0.39291865
   0.13713988  0.43266358  0.11611227
   0.38874362  0.34864551  0.24106357
   0.06888575  0.12563022  0.48726173
   0.38037862  0.12592485  0.85231047
   0.10762655  0.35272999  0.62875855
   0.37523228  0.38874187  0.73991190
   0.13264780  0.70330982  0.01286072
   0.41216267  0.58736795  0.37280841
   0.10477694  0.93877386  0.15983113
   0.33954899  0.85154575  0.27152520
   0.16465099  0.58576241  0.48444590
   0.36370677  0.63166677  0.86843206
   0.08815599  0.85592917  0.59045552
   0.35118360  0.99627011  0.67323439
   0.62209384  0.14177440  0.99340354
   0.83386828  0.12295091  0.33557935
   0.62679394  0.40615995  0.10476014
   0.89370751  0.31143564  0.16218957
   0.62555608  0.19397982  0.48452283
   0.90821815  0.10426290  0.88640879
   0.62703396  0.44883882  0.62535577
   0.78397591  0.35313584  0.81466455
   0.59122239  0.68280284  0.00329329
   0.89301336  0.61834082  0.37115683
   0.56240656  0.92089327  0.13062965
   0.83509729  0.85316441  0.24076246
   0.65459999  0.68663136  0.48482174
   0.85966089  0.64657494  0.90092576
   0.65520818  0.94741487  0.62444038
   0.86345695  0.87628154  0.75262608
   0.10042068  0.09604038  0.17981847
   0.33718790  0.18241462  0.26609310
   0.14751001  0.34171827  0.02045025
   0.38746429  0.42422550  0.34348511
   0.52658452  0.34866955  0.18775370
   0.27777605  0.42011782  0.17347086
   0.20598163  0.14635162  0.43020745
  -0.05229077  0.17282854  0.40954104
   0.06458884 -0.03700925  0.49939677
   0.43959058  0.24260874  0.77534234
   0.06129468  0.20225366  0.59143923
   0.37444994  0.46975350  0.84393162
   0.48038848  0.45420800  0.67013736
   0.22564276  0.33611029  0.70615653
   0.24209894  0.18895177 -0.11023548
   0.01814544  0.11469136  0.97978226
   0.13525832  0.60113239  0.10006310
   0.39253747  0.69251564  0.27791761
   0.14569293  0.86335582  0.05668306
   0.38033886  0.93716412  0.37381387
   0.41527614  0.93296736  0.18414291
   0.17799285  0.86654886  0.26122181
   0.30774620  0.63553541  0.44814266
   0.05615995  0.61201727  0.39583976
   0.17454987  0.43366682  0.53390997
   0.30346003  0.67309662  0.75950305
   0.11828759  0.70074230  0.56747992
   0.34480539  0.99674349  0.78783551
   0.49456762  0.94038073  0.64319416
   0.22709404  0.89786823  0.65029372
   0.28395671  0.69936572 -0.04194453
   0.01144401  0.66528618  0.93924668
   0.61416087  0.06934231  0.09656193
   0.84007215  0.19433573  0.23488631
   0.62276249  0.30260753  0.01594689
   0.83297387  0.46672062  0.35380384
   0.03260470  0.38414769  0.19781469
   0.76950982  0.42085058  0.15632055
   0.70214817  0.17867484  0.38630178
   0.47053455  0.14444430  0.45228136
   0.67453903  0.09432357  0.57443533
   0.90228097  0.23816141  0.82061567
   0.61680810  0.34152886  0.53354045
   0.84318991  0.48898336  0.86593702
   0.99326309  0.45106675  0.68758032
   0.74575620  0.40450243  0.69849674
   0.75295728  0.09072727  0.93440423
   0.48613644  0.09362206  0.94216204
   0.56510019  0.55958045  0.07603557
   0.85782179  0.70088245  0.27314685
   0.53200818  0.82415400  0.03819953
   0.83643275  0.96531316  0.33330146
   0.94313725  0.87106614  0.15227836
   0.67224710  0.86547164  0.21332141
   0.81259061  0.70102185  0.45160383
   0.56110813  0.59237342  0.41325530
   0.66856531  0.59476175  0.57918371
   0.84135673  0.72611020  0.79981473
   0.56913145  0.83706249  0.48553103
   0.95665582  0.96981713  0.82841101
   0.96595462  0.86471843  0.66364833
   0.72151118  0.96171176  0.73135100
   0.75894937  0.69129523  0.98879490
   0.51588132  0.66712838  0.89512098
   0.75825602  0.84227175  0.58359885
   0.48387380  0.85035341  0.45376172
   0.90869492  0.24619368  0.07117317
   0.87058091  0.37322693  0.39009504
   0.31179561  0.11367483  0.61316133
   0.27538008  0.75748256  0.73117561
   0.25120458  1.14035336  0.22795146
   0.25555168  1.08843332  0.04735276
   0.64117997  0.32163080  0.84609070
   0.89756216  0.43927926  0.66403046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920782    0.089856   -0.258397
    -0.000000    9.906922    0.025632
    -0.000000    0.000000   13.775635
   Si   O    H 
    32    64    10
Direct configuration=  2770
   0.16590848  0.17911928 -0.00839852
   0.35024080  0.08993890  0.39194637
   0.13580655  0.43363691  0.11570627
   0.38815073  0.34785953  0.24099380
   0.06917190  0.12492715  0.48733881
   0.37924701  0.12466560  0.85241013
   0.10738455  0.35314348  0.62811240
   0.37617121  0.38909445  0.73956787
   0.13219831  0.70358100  0.01314675
   0.41174345  0.58671955  0.37341485
   0.10453873  0.93863983  0.15887193
   0.34019403  0.85189540  0.27130317
   0.16399369  0.58568551  0.48468390
   0.36383745  0.63182991  0.86855200
   0.08893270  0.85577975  0.59045377
   0.35060780  0.99557653  0.67368002
   0.62200547  0.14135892  0.99382458
   0.83354631  0.12543667  0.33598805
   0.62637134  0.40755097  0.10463324
   0.89504293  0.31080544  0.16224151
   0.62453809  0.19340599  0.48465875
   0.90848698  0.10456117  0.88616557
   0.62670088  0.44943025  0.62505574
   0.78333283  0.35322766  0.81559412
   0.59079225  0.68180410  0.00332489
   0.89322720  0.61645394  0.37095765
   0.56139188  0.92017066  0.13013233
   0.83430545  0.85226563  0.24017657
   0.65411351  0.68643186  0.48470825
   0.86018304  0.64648438  0.90199984
   0.65500623  0.94773336  0.62371658
   0.86370122  0.87757985  0.75336256
   0.10332243  0.09737478  0.17990163
   0.33584197  0.18140814  0.26500164
   0.14824766  0.34091518  0.02001150
   0.38651447  0.42587834  0.34322875
   0.52470101  0.34942832  0.18820196
   0.27992484  0.41966437  0.17495231
   0.20735099  0.14674101  0.43137476
  -0.05278987  0.17249536  0.40965462
   0.06365652 -0.03727453  0.49985173
   0.43997464  0.24155125  0.77620906
   0.06043394  0.20238472  0.59263572
   0.37245032  0.46995826  0.84282201
   0.48009793  0.45601867  0.67032370
   0.22541732  0.33895332  0.70649451
   0.24078643  0.19068761 -0.11054283
   0.01789089  0.11492257  0.97971391
   0.13360939  0.60151150  0.10092669
   0.39320446  0.69314027  0.27840376
   0.14504707  0.86310845  0.05656908
   0.38073563  0.93702130  0.37248046
   0.41561724  0.93155701  0.18406930
   0.17824182  0.86707408  0.25902641
   0.30702368  0.63667249  0.44925679
   0.05695963  0.61145182  0.39654812
   0.17593093  0.43517442  0.53440439
   0.30414828  0.67497154  0.76011845
   0.11861369  0.70230673  0.56720516
   0.34523120  0.99753672  0.78817970
   0.49578827  0.94123986  0.64389786
   0.22447972  0.89822725  0.65019215
   0.28386057  0.69944005 -0.04132112
   0.01161244  0.66532376  0.93964259
   0.61559040  0.06720248  0.09658658
   0.84027706  0.19326977  0.23505542
   0.62151760  0.30284392  0.01648422
   0.83321709  0.46657709  0.35460159
   0.03315366  0.38500028  0.19783451
   0.76862633  0.42124275  0.15554278
   0.70134318  0.17971133  0.38758612
   0.46996899  0.14451056  0.45163668
   0.67648786  0.09450034  0.57351938
   0.90290419  0.23712882  0.82064914
   0.61646607  0.34046711  0.53463184
   0.84493300  0.48894759  0.86580368
   0.99331311  0.45116865  0.68666182
   0.74442995  0.40553977  0.69906840
   0.75459567  0.09121235  0.93441284
   0.48702246  0.09236714  0.94291753
   0.56425322  0.56097615  0.07590259
   0.85740529  0.70353175  0.27229933
   0.53128531  0.82470528  0.03793892
   0.83678793  0.96562373  0.33300454
   0.94401984  0.87033703  0.15259358
   0.67405957  0.86649689  0.21413159
   0.81305604  0.70160361  0.45149198
   0.56048282  0.59242868  0.41358575
   0.66864923  0.59410729  0.57899967
   0.84271517  0.72703238  0.79898430
   0.56824906  0.83849394  0.48450083
   0.95685570  0.96959519  0.82721294
   0.96686362  0.86417426  0.66254704
   0.72215654  0.96365306  0.73077302
   0.75858107  0.69226772  0.98842746
   0.51723554  0.66684548  0.89448187
   0.75559128  0.83315151  0.58262005
   0.47194796  0.85114813  0.45681027
   0.91112788  0.24652735  0.07264131
   0.87682812  0.36000035  0.38908808
   0.32142684  0.10995781  0.61835920
   0.27149261  0.75419481  0.73078853
   0.25378372  1.14691265  0.22766335
   0.25719021  1.08767292  0.04941180
   0.63452248  0.32180806  0.84305406
   0.89943787  0.43880871  0.65557062
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920279    0.088784   -0.259696
    -0.000000    9.908006    0.026121
    -0.000000    0.000000   13.774550
   Si   O    H 
    32    64    10
Direct configuration=  2771
   0.16612086  0.17932673 -0.00775499
   0.34989519  0.08986947  0.39083891
   0.13477917  0.43453801  0.11548654
   0.38711588  0.34642467  0.24124430
   0.06968616  0.12411086  0.48745139
   0.37878824  0.12418939  0.85255384
   0.10751854  0.35380775  0.62782102
   0.37662700  0.38882237  0.73929654
   0.13219237  0.70384987  0.01296737
   0.41144213  0.58595807  0.37323097
   0.10377749  0.93818305  0.15788057
   0.34085440  0.85184539  0.27106964
   0.16311976  0.58597168  0.48501446
   0.36350808  0.63205218  0.86835038
   0.08971825  0.85608846  0.59033220
   0.35050568  0.99394558  0.67413976
   0.62191847  0.14125692  0.99421304
   0.83308895  0.12749999  0.33610763
   0.62553568  0.40938380  0.10442195
   0.89646650  0.31003803  0.16273480
   0.62342955  0.19251422  0.48464717
   0.90870223  0.10465513  0.88616517
   0.62606085  0.45059853  0.62461773
   0.78190091  0.35361765  0.81647062
   0.59011948  0.68126708  0.00299628
   0.89351527  0.61470554  0.37067809
   0.56089368  0.91921451  0.13018785
   0.83333816  0.85175015  0.23962503
   0.65408887  0.68593853  0.48440356
   0.86024572  0.64649160  0.90286062
   0.65459369  0.94837419  0.62273749
   0.86404969  0.87862400  0.75433027
   0.10540897  0.09816802  0.18040500
   0.33499556  0.18083455  0.26395056
   0.14926033  0.34030898  0.01977921
   0.38617510  0.42770970  0.34277757
   0.52308410  0.34983914  0.18820115
   0.28178234  0.41854532  0.17582236
   0.20888921  0.14764736  0.43246600
  -0.05199128  0.17341981  0.41100145
   0.06280911 -0.03759798  0.50080055
   0.44084056  0.24024507  0.77744311
   0.05923396  0.20284827  0.59347043
   0.37056988  0.47036834  0.84182339
   0.48014957  0.45802082  0.67028511
   0.22567058  0.34065916  0.70670632
   0.23966890  0.19257739 -0.11103494
   0.01686868  0.11608750  0.97931045
   0.13209307  0.60146570  0.10218346
   0.39361665  0.69433737  0.27991913
   0.14507978  0.86368536  0.05606807
   0.38064822  0.93646582  0.37074563
   0.41592341  0.92967501  0.18398068
   0.17829263  0.86765508  0.25708043
   0.30632351  0.63828982  0.45108757
   0.05776538  0.61047400  0.39697001
   0.17755721  0.43758836  0.53444156
   0.30414925  0.67601762  0.76119594
   0.11836487  0.70354417  0.56655969
   0.34580816  0.99811015  0.78878714
   0.49678016  0.94118807  0.64401615
   0.22218422  0.89894963  0.64990708
   0.28307607  0.69958262 -0.04161135
   0.01113886  0.66615970  0.94004446
   0.61617107  0.06394461  0.09647705
   0.84011034  0.19258435  0.23463924
   0.62066441  0.30289819  0.01638565
   0.83360198  0.46539985  0.35550444
   0.03263108  0.38525187  0.19811756
   0.76803700  0.42150587  0.15505102
   0.70050236  0.18129931  0.38830888
   0.46977699  0.14493761  0.45158437
   0.67855191  0.09548429  0.57258825
   0.90248022  0.23639152  0.82089188
   0.61613051  0.33961909  0.53608160
   0.84653865  0.48979230  0.86589143
   0.99274665  0.45067356  0.68541052
   0.74423197  0.40707568  0.70025516
   0.75654466  0.09138628  0.93472475
   0.48695446  0.09125143  0.94330519
   0.56344969  0.56184996  0.07616680
   0.85751477  0.70449046  0.27231039
   0.53049647  0.82408437  0.03737192
   0.83726154  0.96539647  0.33185921
   0.94454515  0.86939522  0.15342395
   0.67526530  0.86701942  0.21505347
   0.81312212  0.70200388  0.45120002
   0.56032997  0.59179552  0.41398564
   0.66862568  0.59314766  0.57973151
   0.84371448  0.72741841  0.79791885
   0.56686942  0.83992784  0.48410009
   0.95720205  0.96880053  0.82675860
   0.96799551  0.86304307  0.66191554
   0.72332828  0.96493352  0.73086715
   0.75819066  0.69289276  0.98716586
   0.51859876  0.66628275  0.89401436
   0.75159126  0.82839866  0.58320151
   0.46889818  0.85280065  0.46204311
   0.91688988  0.24654160  0.07179105
   0.87803647  0.36376013  0.38432445
   0.33093563  0.10999027  0.61929693
   0.26613200  0.76016950  0.73098606
   0.25043998  1.14949279  0.22308371
   0.26100207  1.08870042  0.05116118
   0.63238735  0.32120309  0.83871363
   0.90624715  0.44021670  0.65209011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919899    0.088535   -0.261180
    -0.000000    9.909169    0.026252
    -0.000000    0.000000   13.773271
   Si   O    H 
    32    64    10
Direct configuration=  2772
   0.16703370  0.17963349 -0.00727050
   0.34928168  0.09018388  0.38966378
   0.13467751  0.43505883  0.11556791
   0.38607772  0.34463642  0.24174682
   0.07002616  0.12314544  0.48796509
   0.37877480  0.12460607  0.85262919
   0.10775206  0.35430891  0.62768207
   0.37731233  0.38778664  0.73955909
   0.13263107  0.70330302  0.01240717
   0.41117734  0.58510833  0.37255994
   0.10345186  0.93719851  0.15669199
   0.34161341  0.85222782  0.27069252
   0.16232764  0.58627531  0.48547915
   0.36335215  0.63218903  0.86834793
   0.09065183  0.85592121  0.59010393
   0.35115403  0.99228718  0.67443179
   0.62200673  0.14140290  0.99455862
   0.83231667  0.12970318  0.33630081
   0.62478470  0.41166697  0.10408099
   0.89741131  0.30919969  0.16385533
   0.62180522  0.19185913  0.48419232
   0.90893170  0.10407469  0.88641824
   0.62563080  0.45197586  0.62404398
   0.77993054  0.35463938  0.81708308
   0.58906601  0.68044563  0.00268328
   0.89399157  0.61308664  0.37059374
   0.56098334  0.91787846  0.13059928
   0.83311304  0.85182219  0.23903578
   0.65328260  0.68641681  0.48420552
   0.85983746  0.64550615  0.90336407
   0.65347674  0.94934653  0.62166001
   0.86464900  0.87925156  0.75485331
   0.10752441  0.09993108  0.18101184
   0.33535692  0.17986421  0.26254109
   0.14996590  0.33919057  0.02006767
   0.38598213  0.42878531  0.34227449
   0.52151710  0.34997834  0.18795786
   0.28328559  0.41848009  0.17689684
   0.21083299  0.14795877  0.43374287
  -0.05142350  0.17469325  0.41281164
   0.06236325 -0.03850228  0.50177006
   0.44159834  0.23935680  0.77904182
   0.05723185  0.20267433  0.59377302
   0.36825888  0.47159967  0.83992011
   0.47963885  0.46023339  0.67004008
   0.22688566  0.34235706  0.70661037
   0.23930632  0.19409022 -0.11073764
   0.01593101  0.11742490  0.97825315
   0.13055207  0.60142545  0.10348247
   0.39438384  0.69527841  0.28155985
   0.14503486  0.86395828  0.05618365
   0.38054996  0.93583460  0.36866051
   0.41669732  0.92723952  0.18345062
   0.17919146  0.86869920  0.25487279
   0.30538596  0.64009548  0.45322429
   0.05762507  0.60980934  0.39694787
   0.17911993  0.44018822  0.53491126
   0.30432263  0.67691588  0.76219592
   0.11786391  0.70400548  0.56598500
   0.34630706  0.99794680  0.78963800
   0.49690557  0.94135127  0.64347302
   0.22128920  0.89947295  0.64973205
   0.28192301  0.69948171 -0.04174523
   0.01145568  0.66711616  0.94050898
   0.61677384  0.06130040  0.09606490
   0.83941140  0.19215830  0.23376120
   0.61938471  0.30279161  0.01603356
   0.83439580  0.46320659  0.35646182
   0.03190628  0.38626434  0.19883279
   0.76770835  0.42154221  0.15419087
   0.70047545  0.18308579  0.38842848
   0.47016938  0.14550356  0.45176391
   0.67988797  0.09665804  0.57097180
   0.90183563  0.23692597  0.82070226
   0.61546225  0.33976852  0.53750119
   0.84794630  0.49010743  0.86613844
   0.99224536  0.45010660  0.68396677
   0.74405906  0.40837780  0.70159669
   0.75850714  0.09208826  0.93491524
   0.48642686  0.09049988  0.94324659
   0.56335161  0.56189055  0.07631138
   0.85718227  0.70413076  0.27286291
   0.53004539  0.82295619  0.03699662
   0.83763209  0.96455994  0.33048029
   0.94505915  0.86931872  0.15473747
   0.67628208  0.86738806  0.21504491
   0.81237846  0.70203256  0.45117303
   0.55959927  0.59204761  0.41426864
   0.66863887  0.59304488  0.58091029
   0.84413418  0.72742472  0.79701261
   0.56573202  0.84100665  0.48383536
   0.95783626  0.96852806  0.82655957
   0.96820209  0.86169622  0.66102087
   0.72391426  0.96543812  0.73101378
   0.75828936  0.69394640  0.98714361
   0.52009071  0.66676619  0.89343978
   0.74724933  0.82729562  0.58305738
   0.47145710  0.85588631  0.46897576
   0.92372006  0.24498048  0.06927995
   0.87579094  0.37833591  0.37690077
   0.33964444  0.11535881  0.61576275
   0.26494687  0.76637195  0.73405567
   0.24696123  1.15172162  0.21762500
   0.26435514  1.09395543  0.05132110
   0.63714352  0.31988178  0.83677048
   0.91003380  0.44079744  0.64922882
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919437    0.088282   -0.262134
    -0.000000    9.910260    0.026170
    -0.000000    0.000000   13.772149
   Si   O    H 
    32    64    10
Direct configuration=  2773
   0.16839065  0.18042290 -0.00670581
   0.34868065  0.09090482  0.38854608
   0.13472703  0.43598668  0.11591708
   0.38504548  0.34340468  0.24237868
   0.07064419  0.12243169  0.48798475
   0.37930347  0.12547477  0.85282409
   0.10767935  0.35541550  0.62756878
   0.37783085  0.38707416  0.74033700
   0.13265188  0.70340803  0.01198500
   0.41077351  0.58490252  0.37185234
   0.10245603  0.93674199  0.15584303
   0.34208000  0.85220352  0.27069324
   0.16189088  0.58699221  0.48615054
   0.36233796  0.63246609  0.86803134
   0.09075607  0.85488537  0.58987503
   0.35162020  0.99095351  0.67479306
   0.62232635  0.14191023  0.99471343
   0.83197312  0.13108832  0.33643556
   0.62358561  0.41369668  0.10395462
   0.89823062  0.30852148  0.16442831
   0.61993160  0.19180209  0.48393002
   0.90865589  0.10331998  0.88636082
   0.62525400  0.45293814  0.62346088
   0.77850592  0.35587104  0.81744895
   0.58839223  0.67954114  0.00250655
   0.89452768  0.61226948  0.36996122
   0.56131163  0.91641026  0.13099551
   0.83317026  0.85283466  0.23830788
   0.65217606  0.68717412  0.48323331
   0.85965603  0.64487193  0.90351032
   0.65240810  0.94980701  0.62035912
   0.86564116  0.87953054  0.75551330
   0.10942243  0.10194793  0.18098146
   0.33615996  0.17961859  0.26156508
   0.15016910  0.33855172  0.02044296
   0.38571083  0.42932285  0.34187762
   0.52107083  0.34976313  0.18772015
   0.28343394  0.41967069  0.17745446
   0.21248727  0.14814528  0.43463396
  -0.05060578  0.17672299  0.41462040
   0.06216119 -0.03948501  0.50285947
   0.44172020  0.23772333  0.78089667
   0.05558521  0.20262411  0.59353034
   0.36628758  0.47299506  0.83818190
   0.47934146  0.46248737  0.67002195
   0.22761848  0.34369669  0.70633438
   0.23938945  0.19516216 -0.11074035
   0.01477369  0.11785042  0.97730214
   0.12873957  0.60138421  0.10477847
   0.39547851  0.69723920  0.28317916
   0.14455839  0.86401681  0.05615609
   0.38069590  0.93578386  0.36685988
   0.41709666  0.92524023  0.18270432
   0.18047408  0.87005024  0.25304024
   0.30480130  0.64080791  0.45487601
   0.05631899  0.60893550  0.39712072
   0.18029588  0.44212469  0.53527597
   0.30461485  0.67814682  0.76347605
   0.11693303  0.70379441  0.56490088
   0.34679649  0.99683350  0.79063884
   0.49570977  0.94113306  0.64297290
   0.22132985  0.89949520  0.64970336
   0.28118857  0.69902092 -0.04194295
   0.01248090  0.66755215  0.94050528
   0.61657720  0.05922921  0.09586924
   0.83944566  0.19174030  0.23238441
   0.61856898  0.30231333  0.01586749
   0.83486676  0.46152480  0.35762465
   0.03138228  0.38666402  0.19907731
   0.76746681  0.42130549  0.15378751
   0.70030901  0.18440962  0.38879168
   0.47013957  0.14581463  0.45202148
   0.68163964  0.09706120  0.56990354
   0.90155566  0.23803242  0.82091458
   0.61452341  0.33965745  0.53824885
   0.84875517  0.49000971  0.86701885
   0.99261381  0.44834808  0.68281579
   0.74378500  0.40926508  0.70283158
   0.75963534  0.09295948  0.93499952
   0.48473770  0.09038307  0.94255152
   0.56321392  0.56198057  0.07697033
   0.85741592  0.70339618  0.27384803
   0.52933874  0.82243680  0.03616381
   0.83838815  0.96337518  0.32901711
   0.94545966  0.86919030  0.15576508
   0.67640821  0.86771506  0.21438055
   0.81225131  0.70190596  0.45078937
   0.55907085  0.59193615  0.41400319
   0.66876612  0.59314814  0.58138943
   0.84474780  0.72714974  0.79600448
   0.56573220  0.84217582  0.48324346
   0.95760988  0.96908890  0.82626200
   0.96865673  0.85912887  0.66063617
   0.72450538  0.96509159  0.73131433
   0.75741513  0.69450703  0.98673344
   0.52133925  0.66705167  0.89288400
   0.74023392  0.83289065  0.58511367
   0.47302313  0.85654176  0.47098737
   0.92463791  0.24443036  0.06667891
   0.87321782  0.39213607  0.36945307
   0.34852034  0.11981004  0.61376047
   0.26878814  0.76909132  0.74189744
   0.24409202  1.15385148  0.21440557
   0.26452196  1.10372180  0.04931263
   0.64518759  0.31663724  0.83518906
   0.90795761  0.44301092  0.64318310
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918590    0.087785   -0.262807
    -0.000000    9.911246    0.026416
    -0.000000    0.000000   13.771126
   Si   O    H 
    32    64    10
Direct configuration=  2774
   0.16979490  0.18074613 -0.00634942
   0.34847278  0.09143957  0.38737059
   0.13532350  0.43712103  0.11663505
   0.38399891  0.34181072  0.24325677
   0.07135047  0.12196681  0.48810939
   0.38000502  0.12625909  0.85317422
   0.10754953  0.35639639  0.62758216
   0.37903796  0.38621592  0.74150043
   0.13347417  0.70388298  0.01185833
   0.41017498  0.58433617  0.37087545
   0.10205424  0.93593554  0.15530313
   0.34222206  0.85168404  0.27074898
   0.16168317  0.58850619  0.48681372
   0.36116784  0.63285730  0.86742343
   0.09059011  0.85408076  0.58989454
   0.35210154  0.98950066  0.67512259
   0.62352324  0.14194664  0.99465465
   0.83233282  0.13193731  0.33648735
   0.62181473  0.41567182  0.10377348
   0.89893263  0.30803656  0.16527528
   0.61801392  0.19221706  0.48375406
   0.90842559  0.10199538  0.88647149
   0.62506094  0.45350185  0.62303042
   0.77834392  0.35685711  0.81809188
   0.58829530  0.67873580  0.00203191
   0.89434380  0.61178396  0.36923725
   0.56162209  0.91480498  0.13193428
   0.83277874  0.85440650  0.23763319
   0.65116588  0.68705893  0.48229807
   0.85894391  0.64430234  0.90366207
   0.65202376  0.94958255  0.61902379
   0.86624546  0.87978722  0.75575123
   0.11129480  0.10328451  0.18016205
   0.33606284  0.17953699  0.26106479
   0.14960829  0.33837509  0.02105602
   0.38561186  0.43025668  0.34184647
   0.52115649  0.35035747  0.18698299
   0.28325164  0.42004109  0.17726838
   0.21378350  0.14786685  0.43507663
  -0.05052660  0.17948732  0.41653080
   0.06109391 -0.03990654  0.50398528
   0.44200166  0.23679602  0.78237386
   0.05418000  0.20308806  0.59295299
   0.36432178  0.47457946  0.83671528
   0.47897789  0.46460881  0.67034943
   0.22904663  0.34529481  0.70649075
   0.23943132  0.19622750 -0.11157114
   0.01402273  0.11843787  0.97624019
   0.12673522  0.60068373  0.10578360
   0.39584141  0.69941883  0.28488313
   0.14427837  0.86389650  0.05574112
   0.38138985  0.93534055  0.36529254
   0.41749990  0.92399787  0.18129657
   0.18085359  0.87081208  0.25093598
   0.30558906  0.64110902  0.45616528
   0.05448303  0.60857355  0.39694240
   0.18082270  0.44370248  0.53575162
   0.30484333  0.67918221  0.76436291
   0.11727190  0.70253258  0.56438447
   0.34660470  0.99422755  0.79172975
   0.49536783  0.94160258  0.64250407
   0.22209770  0.89916673  0.64936240
   0.28028728  0.69926965 -0.04136952
   0.01394467  0.66767134  0.94058202
   0.61625904  0.05743361  0.09554324
   0.84048390  0.19089671  0.23147677
   0.61751964  0.30096498  0.01554669
   0.83418067  0.46144976  0.35759987
   0.03147039  0.38751613  0.19908373
   0.76785849  0.42186791  0.15327791
   0.69997218  0.18588465  0.38879307
   0.46976666  0.14548949  0.45253148
   0.68365822  0.09674569  0.56885329
   0.90122897  0.23888368  0.82086704
   0.61398128  0.34033751  0.53964631
   0.84948980  0.48970698  0.86753031
   0.99333473  0.44685522  0.68179880
   0.74307332  0.41014395  0.70329002
   0.76038734  0.09456724  0.93491728
   0.48268354  0.09108964  0.94136996
   0.56341240  0.56180584  0.07750436
   0.85739161  0.70175835  0.27546447
   0.52933717  0.82278272  0.03598063
   0.83971300  0.96232287  0.32779919
   0.94616462  0.86995710  0.15663057
   0.67610413  0.86870101  0.21330999
   0.81173576  0.70193758  0.44975215
   0.55893834  0.59259587  0.41374364
   0.66812434  0.59412165  0.58179665
   0.84492350  0.72642839  0.79515590
   0.56601068  0.84281404  0.48242416
   0.95854509  0.97006015  0.82649136
   0.96834104  0.85633786  0.66058694
   0.72478498  0.96415375  0.73192359
   0.75653847  0.69515926  0.98614714
   0.52261868  0.66610191  0.89288199
   0.73198246  0.84359825  0.58742629
   0.46571797  0.85474183  0.47310102
   0.92607885  0.24816986  0.06568716
   0.89858468  0.35152843  0.37339147
   0.35310347  0.12018584  0.61365961
   0.27219518  0.76845037  0.75258037
   0.24344271  1.15394139  0.21388007
   0.26221707  1.11062210  0.04754968
   0.65189578  0.31116397  0.83599571
   0.90533010  0.44692662  0.64049624
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917621    0.086780   -0.262996
    -0.000000    9.911831    0.026961
    -0.000000    0.000000   13.770363
   Si   O    H 
    32    64    10
Direct configuration=  2775
   0.17074908  0.18117369 -0.00631038
   0.34898381  0.09204062  0.38549893
   0.13625260  0.43799542  0.11774463
   0.38304323  0.34018028  0.24408795
   0.07187868  0.12072542  0.48824628
   0.38045164  0.12757349  0.85383546
   0.10757707  0.35703707  0.62737073
   0.38009533  0.38537302  0.74266384
   0.13466396  0.70482934  0.01228642
   0.40885613  0.58374860  0.37041624
   0.10143299  0.93557073  0.15468600
   0.34225792  0.85107290  0.27081381
   0.16132486  0.59043092  0.48771004
   0.35949542  0.63358673  0.86688138
   0.09037174  0.85368428  0.58999954
   0.35234345  0.98876076  0.67554902
   0.62475158  0.14201136  0.99472286
   0.83245182  0.13207529  0.33659176
   0.61991318  0.41722478  0.10379284
   0.89914105  0.30758793  0.16563542
   0.61682298  0.19306269  0.48395490
   0.90850319  0.10155382  0.88672562
   0.62503376  0.45387112  0.62281495
   0.77856206  0.35799678  0.81860634
   0.58872109  0.67866108  0.00130562
   0.89514087  0.61166180  0.36825063
   0.56257316  0.91342034  0.13247977
   0.83274968  0.85635101  0.23710082
   0.65031688  0.68715137  0.48123348
   0.85846004  0.64383127  0.90363678
   0.65170898  0.94962098  0.61773028
   0.86675299  0.87993428  0.75546912
   0.11208930  0.10386702  0.17969882
   0.33594676  0.17975839  0.26113625
   0.14997358  0.33856402  0.02134515
   0.38479876  0.43107303  0.34200443
   0.52159989  0.35049690  0.18654531
   0.28259138  0.42001059  0.17641867
   0.21513231  0.14808285  0.43501902
  -0.05100635  0.18267276  0.41821398
   0.06014017 -0.03998441  0.50505721
   0.44242810  0.23600245  0.78422364
   0.05347793  0.20365941  0.59192622
   0.36261423  0.47635334  0.83561638
   0.47786129  0.46635726  0.67093446
   0.23124724  0.34653356  0.70648981
   0.23940387  0.19703004 -0.11192239
   0.01443296  0.11851202  0.97561656
   0.12413861  0.59994919  0.10617435
   0.39646021  0.70066003  0.28647950
   0.14429663  0.86371782  0.05488839
   0.38228528  0.93557757  0.36444326
   0.41828349  0.92334111  0.18037224
   0.18186367  0.87160538  0.24899922
   0.30602077  0.64101375  0.45666717
   0.05349955  0.60843693  0.39651857
   0.18150125  0.44518659  0.53633401
   0.30440489  0.67975318  0.76477313
   0.11780192  0.70159940  0.56390974
   0.34625146  0.99172710  0.79284788
   0.49516365  0.94110637  0.64215325
   0.22348407  0.89898735  0.64977006
   0.27889121  0.69956571 -0.04101490
   0.01596301  0.66773968  0.94037092
   0.61603503  0.05632770  0.09571922
   0.84101537  0.19089169  0.23051293
   0.61764121  0.29910678  0.01598594
   0.83291202  0.46064223  0.35764900
   0.03118760  0.38818163  0.19897780
   0.76895978  0.42191985  0.15270820
   0.69961575  0.18724233  0.38860046
   0.46990335  0.14531898  0.45308065
   0.68659884  0.09622872  0.56748670
   0.90018501  0.23970560  0.82066266
   0.61301577  0.34046773  0.54067230
   0.84980892  0.48890888  0.86779641
   0.99392344  0.44468752  0.68039503
   0.74204898  0.41012805  0.70392773
   0.76090358  0.09553639  0.93524929
   0.48043289  0.09209434  0.94020670
   0.56365787  0.56177400  0.07759994
   0.85797082  0.70048018  0.27655956
   0.52861340  0.82307292  0.03628792
   0.84071319  0.96196662  0.32620407
   0.94696846  0.87102111  0.15786917
   0.67626007  0.86945653  0.21181860
   0.81046840  0.70181759  0.44880235
   0.55953502  0.59300229  0.41326440
   0.66792736  0.59549721  0.58162567
   0.84552073  0.72567190  0.79509784
   0.56656910  0.84321894  0.48126583
   0.95921266  0.97067311  0.82683786
   0.96743657  0.85446677  0.66062682
   0.72564104  0.96305788  0.73205198
   0.75489059  0.69556324  0.98570998
   0.52369973  0.66491037  0.89294964
   0.73515091  0.85119183  0.58697656
   0.46443293  0.84913532  0.47516744
   0.92594578  0.25494983  0.06816837
   0.91677083  0.32539632  0.37741159
   0.35474541  0.11991283  0.61629515
   0.27546620  0.77267756  0.75975580
   0.24389101  1.15140825  0.21303714
   0.26344582  1.10952974  0.05083606
   0.64714812  0.30732067  0.84180540
   0.91026631  0.44992045  0.64523843
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916648    0.085703   -0.263385
    -0.000000    9.911981    0.027807
    -0.000000    0.000000   13.769494
   Si   O    H 
    32    64    10
Direct configuration=  2776
   0.17108396  0.18118600 -0.00665808
   0.34974660  0.09241022  0.38374562
   0.13772127  0.43845682  0.11918482
   0.38208885  0.33894747  0.24528282
   0.07274469  0.11903735  0.48813626
   0.38068739  0.12925811  0.85435826
   0.10788347  0.35705333  0.62684416
   0.38152597  0.38395717  0.74376672
   0.13621095  0.70592264  0.01299313
   0.40729995  0.58289419  0.36994558
   0.10109773  0.93539182  0.15434374
   0.34200805  0.85042647  0.27044585
   0.16089600  0.59184686  0.48854594
   0.35870520  0.63368238  0.86638887
   0.08979566  0.85299255  0.58983704
   0.35183149  0.98766468  0.67591562
   0.62596510  0.14167981  0.99479401
   0.83224840  0.13222330  0.33698125
   0.61788695  0.41829695  0.10402891
   0.89932795  0.30763214  0.16550808
   0.61632049  0.19388107  0.48432535
   0.90802407  0.10136945  0.88696084
   0.62494712  0.45405177  0.62355656
   0.77861631  0.35862698  0.81862503
   0.58889411  0.67881718  0.00048310
   0.89588814  0.61204885  0.36776386
   0.56370799  0.91212966  0.13280434
   0.83281991  0.85793264  0.23687674
   0.64954260  0.68770773  0.47981640
   0.85756658  0.64376327  0.90324865
   0.65135707  0.95034041  0.61685759
   0.86756376  0.87973974  0.75476517
   0.11278889  0.10377021  0.17889959
   0.33487234  0.18009305  0.26105285
   0.15087718  0.33920810  0.02205640
   0.38469638  0.43108977  0.34259580
   0.52206004  0.35126610  0.18589004
   0.28188968  0.41989244  0.17511291
   0.21563864  0.14836971  0.43549674
  -0.05097928  0.18564597  0.41954427
   0.06017147 -0.04014906  0.50595983
   0.44315794  0.23683526  0.78607311
   0.05317089  0.20472092  0.59140753
   0.36111941  0.47736249  0.83482357
   0.47605098  0.46741941  0.67127808
   0.23328770  0.34828635  0.70652753
   0.23946781  0.19759865 -0.11240760
   0.01553431  0.11891265  0.97436847
   0.12241228  0.59955590  0.10578103
   0.39653879  0.70112692  0.28807043
   0.14401006  0.86393836  0.05389021
   0.38299245  0.93650121  0.36378455
   0.41832361  0.92303649  0.17961411
   0.18306617  0.87192554  0.24749771
   0.30700556  0.64101818  0.45710380
   0.05351326  0.60867997  0.39642952
   0.18117419  0.44617420  0.53680079
   0.30399375  0.68017958  0.76492253
   0.11868843  0.70082407  0.56391239
   0.34491533  0.98869506  0.79364869
   0.49560013  0.94015224  0.64195056
   0.22561001  0.89887130  0.64947608
   0.27809414  0.69955802 -0.04057405
   0.01688472  0.66812841  0.94018961
   0.61658904  0.05588877  0.09553630
   0.84156754  0.19146581  0.23004527
   0.61787161  0.29805510  0.01607222
   0.83201283  0.45929387  0.35813378
   0.03078314  0.38771324  0.19932678
   0.77001028  0.42136656  0.15230320
   0.69890052  0.18865463  0.38838938
   0.46946357  0.14553426  0.45309094
   0.68861574  0.09534524  0.56635797
   0.89972710  0.23957412  0.82032289
   0.61226582  0.34049104  0.54196182
   0.85112767  0.48823302  0.86830452
   0.99520861  0.44269544  0.67962756
   0.74089830  0.41024228  0.70369450
   0.76048325  0.09638873  0.93532768
   0.47912713  0.09310327  0.93954249
   0.56427259  0.56267480  0.07734619
   0.85843684  0.70005864  0.27703668
   0.52813787  0.82346330  0.03649794
   0.84152243  0.96204819  0.32537834
   0.94700318  0.87225319  0.15950206
   0.67601491  0.86973955  0.21017392
   0.80940601  0.70288817  0.44829219
   0.56044164  0.59333825  0.41300888
   0.66761573  0.59718012  0.58120142
   0.84567418  0.72532169  0.79559730
   0.56729259  0.84361485  0.47947906
   0.95976463  0.97186513  0.82721313
   0.96563321  0.85251388  0.66074597
   0.72629000  0.96235965  0.73206344
   0.75384088  0.69612337  0.98547040
   0.52449583  0.66273440  0.89265250
   0.74346661  0.84785201  0.58197814
   0.47111597  0.84205376  0.47595704
   0.92702499  0.26010421  0.07202012
   0.93118760  0.31464762  0.38038968
   0.35549568  0.11815217  0.62227937
   0.27640611  0.77918714  0.76514897
   0.24190544  1.14596470  0.21375121
   0.26889397  1.10387251  0.05777407
   0.63720369  0.30088945  0.85127559
   0.90698619  0.45221474  0.64735356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915516    0.084668   -0.263733
    -0.000000    9.911830    0.029095
    -0.000000    0.000000   13.768994
   Si   O    H 
    32    64    10
Direct configuration=  2777
   0.17182098  0.18140671 -0.00746699
   0.34996786  0.09317064  0.38208049
   0.13907881  0.43887793  0.12006765
   0.38221275  0.33839033  0.24610745
   0.07379246  0.11748582  0.48809937
   0.38101871  0.13032829  0.85489480
   0.10811849  0.35695165  0.62650464
   0.38317785  0.38237378  0.74469849
   0.13726081  0.70664196  0.01385429
   0.40631618  0.58252952  0.37030409
   0.10099694  0.93573922  0.15425011
   0.34184491  0.84993277  0.26998728
   0.15978561  0.59252334  0.48953532
   0.35856137  0.63367410  0.86634633
   0.08847541  0.85279851  0.58977836
   0.35149276  0.98732580  0.67640612
   0.62711331  0.14072476  0.99495821
   0.83217675  0.13226202  0.33780986
   0.61669817  0.41889469  0.10427340
   0.89915066  0.30776301  0.16546245
   0.61582719  0.19474135  0.48481078
   0.90806283  0.10091224  0.88695502
   0.62518563  0.45455375  0.62463319
   0.77826850  0.35966965  0.81831618
   0.58873623  0.67904330 -0.00027878
   0.89721542  0.61207001  0.36764467
   0.56418139  0.91110313  0.13298066
   0.83292312  0.85898256  0.23647535
   0.64924535  0.68827518  0.47834901
   0.85665360  0.64377473  0.90303150
   0.65136693  0.95080064  0.61600682
   0.86853463  0.87955247  0.75412733
   0.11303379  0.10271247  0.17825502
   0.33360933  0.18063085  0.26094551
   0.15075551  0.33982407  0.02283758
   0.38448752  0.43037855  0.34301820
   0.52214787  0.35232428  0.18585382
   0.28129523  0.42031740  0.17363248
   0.21541513  0.14857128  0.43625883
  -0.05130382  0.18878125  0.42039667
   0.06019883 -0.03925312  0.50613565
   0.44368746  0.23756456  0.78718571
   0.05343702  0.20587299  0.59093410
   0.35965093  0.47843052  0.83481678
   0.47366929  0.46821286  0.67152071
   0.23496618  0.34966042  0.70631478
   0.23981285  0.19818991 -0.11213714
   0.01742544  0.12033768  0.97328538
   0.12097421  0.59960285  0.10509332
   0.39763651  0.70184872  0.28903964
   0.14300171  0.86422909  0.05242107
   0.38370651  0.93690427  0.36374897
   0.41841189  0.92237682  0.17912887
   0.18388581  0.87230453  0.24564333
   0.30863698  0.64015208  0.45762379
   0.05480756  0.60920174  0.39664452
   0.18104828  0.44653152  0.53737246
   0.30253919  0.68209323  0.76456087
   0.11987419  0.70103102  0.56419754
   0.34397284  0.98593350  0.79469724
   0.49647523  0.93950360  0.64222765
   0.22754398  0.89857103  0.64948140
   0.27719844  0.69956375 -0.03958677
   0.01666681  0.66837665  0.94012691
   0.61771791  0.05586084  0.09496053
   0.84231441  0.19092006  0.22974638
   0.61781208  0.29738131  0.01630681
   0.83198791  0.45722300  0.35861171
   0.03086420  0.38741095  0.19923771
   0.77141724  0.42123146  0.15249892
   0.69854007  0.18943647  0.38824090
   0.46894925  0.14521652  0.45358692
   0.69015827  0.09455147  0.56495201
   0.89946615  0.23989856  0.81939281
   0.61141516  0.34025280  0.54340109
   0.85238993  0.48687632  0.86896685
   0.99601384  0.44131364  0.67907542
   0.74000381  0.41093680  0.70402703
   0.76041822  0.09694154  0.93547042
   0.47886779  0.09379024  0.93967736
   0.56422634  0.56306233  0.07751690
   0.85955494  0.69956728  0.27719088
   0.52819295  0.82329157  0.03639433
   0.84258666  0.96206110  0.32443654
   0.94724764  0.87454247  0.16061839
   0.67646454  0.86932945  0.20838715
   0.80839986  0.70431526  0.44750024
   0.56062830  0.59390974  0.41320276
   0.66693038  0.59882265  0.58101818
   0.84581304  0.72528295  0.79660063
   0.56826108  0.84383195  0.47824012
   0.96028857  0.97284370  0.82762548
   0.96291758  0.85050350  0.66137520
   0.72696691  0.96131400  0.73184664
   0.75276740  0.69607713  0.98506863
   0.52462661  0.66038383  0.89264905
   0.75231658  0.84340837  0.57762924
   0.47404776  0.83601762  0.47479451
   0.92657402  0.25913318  0.07304662
   0.93818885  0.31565678  0.38770034
   0.35316455  0.11810680  0.62966612
   0.27763197  0.77998450  0.76938122
   0.23897982  1.13765313  0.21472332
   0.27218718  1.10082467  0.06293772
   0.63609177  0.29793445  0.85807520
   0.90243204  0.45726483  0.65110341
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914155    0.083082   -0.264213
    -0.000000    9.911513    0.030504
    -0.000000    0.000000   13.768308
   Si   O    H 
    32    64    10
Direct configuration=  2778
   0.17285003  0.18131329 -0.00832936
   0.35031254  0.09380976  0.38065999
   0.13976001  0.43963606  0.12088451
   0.38236648  0.33827469  0.24672159
   0.07452692  0.11625562  0.48803588
   0.38134825  0.13045700  0.85522811
   0.10907871  0.35640088  0.62624573
   0.38458480  0.38093131  0.74570931
   0.13782319  0.70687602  0.01449846
   0.40542028  0.58301483  0.37076036
   0.10142017  0.93607967  0.15425553
   0.34119470  0.84952948  0.26994591
   0.15847403  0.59263160  0.49021817
   0.35868646  0.63337561  0.86661023
   0.08770169  0.85234645  0.58983373
   0.35112815  0.98716119  0.67698915
   0.62818342  0.13923506  0.99474948
   0.83223799  0.13190461  0.33842617
   0.61631581  0.41883734  0.10501510
   0.89899228  0.30834742  0.16508485
   0.61572365  0.19587988  0.48505423
   0.90812216  0.10062246  0.88690982
   0.62493054  0.45486312  0.62554667
   0.77792294  0.36039619  0.81776339
   0.58910387  0.67979582 -0.00060521
   0.89791778  0.61141108  0.36740678
   0.56462477  0.90999714  0.13315793
   0.83320092  0.86053081  0.23637716
   0.64927759  0.68896589  0.47650514
   0.85664248  0.64378772  0.90232652
   0.65218444  0.95160567  0.61512572
   0.86946641  0.87947614  0.75355318
   0.11312060  0.10237074  0.17755779
   0.33245382  0.18017183  0.26143417
   0.15104283  0.34182786  0.02403180
   0.38391689  0.42869770  0.34338654
   0.52248908  0.35247456  0.18612240
   0.28040712  0.41990759  0.17264333
   0.21591877  0.14909298  0.43653207
  -0.05210206  0.19109741  0.42098998
   0.05947159 -0.03829111  0.50578477
   0.44384340  0.23914550  0.78791357
   0.05379412  0.20701268  0.58981245
   0.35788847  0.47966563  0.83527834
   0.47134763  0.46863155  0.67121638
   0.23563821  0.35089102  0.70614552
   0.23986832  0.19896429 -0.11194721
   0.01966079  0.12165201  0.97241345
   0.12041104  0.59979708  0.10434755
   0.39899025  0.70207461  0.28980156
   0.14141952  0.86400651  0.05118507
   0.38366260  0.93718010  0.36399125
   0.41798759  0.92191903  0.17938797
   0.18456932  0.87219052  0.24376807
   0.31085482  0.63948273  0.45800886
   0.05620593  0.60990200  0.39757556
   0.18062677  0.44631022  0.53753557
   0.30107934  0.68522744  0.76398028
   0.12027587  0.70238069  0.56449593
   0.34321265  0.98436636  0.79583058
   0.49704954  0.93836009  0.64233463
   0.22822015  0.89772738  0.64901716
   0.27580063  0.69879721 -0.03900342
   0.01584722  0.66847055  0.93991027
   0.61892810  0.05643714  0.09463721
   0.84193979  0.19052564  0.22961552
   0.61793699  0.29721503  0.01693913
   0.83289726  0.45464203  0.35957485
   0.03166105  0.38686889  0.19883418
   0.77314350  0.42127711  0.15296126
   0.69853788  0.18878393  0.38774916
   0.46859510  0.14517906  0.45411703
   0.69085894  0.09430401  0.56333483
   0.89923040  0.23999884  0.81821554
   0.61025822  0.34010348  0.54424980
   0.85334805  0.48645204  0.86997316
   0.99590935  0.44076543  0.67808726
   0.73981412  0.41181661  0.70414203
   0.75953970  0.09664946  0.93600936
   0.48007410  0.09533618  0.94061966
   0.56433022  0.56301055  0.07793153
   0.86096913  0.69892785  0.27703952
   0.52838521  0.82266206  0.03682504
   0.84356087  0.96221318  0.32393210
   0.94776638  0.87716095  0.16088354
   0.67661656  0.86920784  0.20631114
   0.80795208  0.70600248  0.44655639
   0.56123126  0.59391505  0.41320974
   0.66704371  0.60106286  0.58057847
   0.84542545  0.72592604  0.79820132
   0.57011898  0.84423247  0.47702100
   0.96131681  0.97359352  0.82794162
   0.96012087  0.84877719  0.66155139
   0.72703901  0.95983425  0.73135105
   0.75269893  0.69458638  0.98508194
   0.52461991  0.65783092  0.89259992
   0.75754021  0.84368018  0.57694771
   0.47007245  0.83123559  0.47393304
   0.92297916  0.25248036  0.07185309
   0.93973552  0.32386462  0.39357922
   0.35151544  0.11836743  0.63405552
   0.27807932  0.77509644  0.77120420
   0.23520809  1.12981789  0.21552252
   0.27123096  1.10185337  0.06596322
   0.64266099  0.30130607  0.86056373
   0.90533823  0.45744357  0.65589441
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912636    0.081289   -0.264317
    -0.000000    9.911511    0.032114
    -0.000000    0.000000   13.767644
   Si   O    H 
    32    64    10
Direct configuration=  2779
   0.17371571  0.18200384 -0.00900391
   0.35078527  0.09519534  0.37962832
   0.13980202  0.43997942  0.12161288
   0.38248754  0.33768653  0.24724508
   0.07567443  0.11602725  0.48862605
   0.38184678  0.13028610  0.85540677
   0.11026512  0.35583266  0.62649479
   0.38601841  0.37970976  0.74687621
   0.13771707  0.70727124  0.01536069
   0.40465641  0.58348778  0.37112337
   0.10151272  0.93646208  0.15429368
   0.34088952  0.84876858  0.26970369
   0.15701821  0.59287844  0.49078883
   0.35866191  0.63310562  0.86676200
   0.08695280  0.85121943  0.58971322
   0.35088661  0.98652339  0.67773883
   0.62928319  0.13790396  0.99503684
   0.83228497  0.13066417  0.33869367
   0.61638585  0.41805132  0.10582433
   0.89814018  0.30936562  0.16463402
   0.61600915  0.19727826  0.48584331
   0.90737643  0.10037062  0.88723435
   0.62463221  0.45482317  0.62555220
   0.77767704  0.36103576  0.81717359
   0.58925145  0.68087902 -0.00106394
   0.89854068  0.61035332  0.36772649
   0.56462937  0.90911282  0.13279894
   0.83387854  0.86174880  0.23628145
   0.65018255  0.68938279  0.47547166
   0.85652445  0.64362067  0.90161145
   0.65380022  0.95218897  0.61412776
   0.87024202  0.87919364  0.75332667
   0.11333142  0.10156586  0.17705648
   0.33174755  0.18027197  0.26286691
   0.15123511  0.34377404  0.02531667
   0.38351856  0.42710452  0.34377507
   0.52244216  0.35242780  0.18631710
   0.28036573  0.41936635  0.17238677
   0.21622896  0.14912447  0.43687393
  -0.05293940  0.19343641  0.42112473
   0.05926306 -0.03847046  0.50533609
   0.44436184  0.24032850  0.78797920
   0.05449514  0.20824138  0.58852899
   0.35609429  0.48069863  0.83606864
   0.47005999  0.46878482  0.67055706
   0.23503765  0.35172037  0.70575510
   0.24003196  0.19929209 -0.11247206
   0.02096144  0.12285942  0.97135925
   0.12097643  0.60079528  0.10333331
   0.39987546  0.70198857  0.29006426
   0.14022021  0.86345597  0.05044688
   0.38290905  0.93726968  0.36429976
   0.41707062  0.92137754  0.18006482
   0.18440831  0.87068485  0.24235694
   0.31224501  0.63926822  0.45824731
   0.05777694  0.61033124  0.39865358
   0.17973611  0.44617604  0.53683123
   0.30010445  0.68738277  0.76329673
   0.12010394  0.70327427  0.56518314
   0.34318796  0.98235059  0.79698633
   0.49756552  0.93673037  0.64270642
   0.22797256  0.89686205  0.64841071
   0.27442684  0.69712977 -0.03869407
   0.01509788  0.66909414  0.93947557
   0.62053144  0.05647705  0.09499192
   0.84125573  0.19070029  0.22962270
   0.61814457  0.29827363  0.01785452
   0.83421356  0.45202355  0.36100531
   0.03374567  0.38643933  0.19885641
   0.77449362  0.42169873  0.15325914
   0.69859751  0.18784926  0.38664103
   0.46773311  0.14493980  0.45469131
   0.69128026  0.09332448  0.56134192
   0.89923956  0.23981513  0.81815704
   0.60828335  0.33929873  0.54473772
   0.85377231  0.48593097  0.87029419
   0.99565683  0.44090556  0.67719757
   0.74015400  0.41247285  0.70462397
   0.75860952  0.09640952  0.93635730
   0.48185082  0.09656621  0.94210584
   0.56467645  0.56294423  0.07793724
   0.86221719  0.69935955  0.27649918
   0.52837119  0.82151692  0.03717034
   0.84436157  0.96245402  0.32441821
   0.94836705  0.88005262  0.16068312
   0.67746512  0.86891916  0.20421675
   0.80792320  0.70745863  0.44528274
   0.56037307  0.59330284  0.41255299
   0.66780026  0.60342264  0.58093004
   0.84476499  0.72643426  0.79986764
   0.57142886  0.84375590  0.47664917
   0.96156803  0.97402924  0.82829334
   0.95780954  0.84709957  0.66151516
   0.72679624  0.95855624  0.73015770
   0.75234273  0.69359936  0.98485975
   0.52462623  0.65578791  0.89275611
   0.75832210  0.85076743  0.57572906
   0.47044141  0.82945193  0.47397545
   0.92214767  0.24486365  0.06971664
   0.93909527  0.33315589  0.39824193
   0.34856675  0.12341910  0.63600722
   0.27374834  0.78277976  0.77179786
   0.22105318  1.12000430  0.21412627
   0.26530800  1.10482106  0.06422585
   0.65492212  0.30928414  0.86083177
   0.90574973  0.45557892  0.65932330
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911262    0.079565   -0.265041
    -0.000000    9.911917    0.033664
    -0.000000    0.000000   13.767138
   Si   O    H 
    32    64    10
Direct configuration=  2780
   0.17421467  0.18259598 -0.00950814
   0.35113861  0.09661831  0.37881925
   0.14011909  0.44007096  0.12195134
   0.38283815  0.33679324  0.24743025
   0.07670842  0.11649248  0.48948969
   0.38172620  0.13007999  0.85548300
   0.11142536  0.35513626  0.62681209
   0.38667492  0.37887713  0.74789649
   0.13752788  0.70772197  0.01642185
   0.40409754  0.58438168  0.37108098
   0.10153361  0.93613525  0.15410238
   0.34104113  0.84797033  0.26893912
   0.15568500  0.59326978  0.49123731
   0.35937353  0.63299801  0.86685771
   0.08627866  0.85089945  0.58974307
   0.35069623  0.98554368  0.67848201
   0.63036043  0.13742979  0.99503386
   0.83287500  0.12896618  0.33884880
   0.61638051  0.41647552  0.10718617
   0.89656671  0.31088348  0.16369456
   0.61632907  0.19832392  0.48692098
   0.90694210  0.10059920  0.88740596
   0.62450243  0.45445062  0.62552171
   0.77777907  0.36166384  0.81630107
   0.58920219  0.68099853 -0.00213361
   0.89836346  0.60919600  0.36863546
   0.56442519  0.90885951  0.13226535
   0.83482056  0.86277663  0.23609285
   0.65140840  0.68993250  0.47475657
   0.85713383  0.64349313  0.90090533
   0.65585799  0.95288940  0.61375059
   0.87133985  0.87853029  0.75353313
   0.11431986  0.10054304  0.17648100
   0.33120670  0.17994567  0.26461063
   0.15116359  0.34510655  0.02695392
   0.38248591  0.42522876  0.34447411
   0.52228350  0.35183018  0.18708405
   0.28098490  0.41872971  0.17241810
   0.21686912  0.14946147  0.43744315
  -0.05475073  0.19623266  0.42053393
   0.05905550 -0.03934733  0.50449194
   0.44580029  0.24124603  0.78747083
   0.05595275  0.20900109  0.58762860
   0.35485625  0.48124494  0.83715494
   0.46913742  0.46884428  0.67043927
   0.23485627  0.35217737  0.70550419
   0.24028621  0.19953290 -0.11292047
   0.02242339  0.12447666  0.97028347
   0.12109541  0.60231261  0.10279652
   0.40064061  0.70185638  0.29084036
   0.13902739  0.86335449  0.04969815
   0.38188903  0.93699608  0.36476158
   0.41563077  0.92104003  0.18128770
   0.18415280  0.86884607  0.24166706
   0.31378135  0.63928615  0.45829557
   0.05897608  0.61061422  0.39947922
   0.17831808  0.44545920  0.53605324
   0.29915669  0.68937341  0.76289226
   0.11918576  0.70419853  0.56585398
   0.34350527  0.98105995  0.79821879
   0.49774143  0.93522889  0.64236773
   0.22594840  0.89625752  0.64740720
   0.27337463  0.69521203 -0.03876291
   0.01386757  0.66928943  0.93913637
   0.62212651  0.05624799  0.09577202
   0.84113314  0.19086164  0.22998353
   0.61914139  0.30004296  0.01889541
   0.83562135  0.44956761  0.36265333
   0.03597430  0.38659243  0.19887419
   0.77596040  0.42156525  0.15348527
   0.69905796  0.18644809  0.38561695
   0.46670368  0.14444055  0.45526480
   0.69110824  0.09283113  0.55923151
   0.89920007  0.23936583  0.81780381
   0.60610615  0.33842746  0.54497590
   0.85277022  0.48481307  0.87057335
   0.99634093  0.44116762  0.67657208
   0.74021970  0.41306417  0.70542913
   0.75850418  0.09578792  0.93678067
   0.48403930  0.09746962  0.94310053
   0.56518511  0.56344504  0.07797090
   0.86311072  0.70060089  0.27644353
   0.52842369  0.81983538  0.03749096
   0.84479510  0.96341957  0.32603132
   0.94888559  0.88255326  0.16005715
   0.67843216  0.86811928  0.20315174
   0.80764258  0.70837253  0.44450813
   0.55942189  0.59235951  0.41211629
   0.66821013  0.60563015  0.58154636
   0.84432103  0.72630227  0.80157979
   0.57250350  0.84309695  0.47631672
   0.96098101  0.97417765  0.82841562
   0.95577479  0.84629255  0.66071528
   0.72633120  0.95721323  0.72840842
   0.75181385  0.69246044  0.98419194
   0.52520589  0.65402105  0.89276485
   0.75848975  0.85775046  0.57392801
   0.47747908  0.83119399  0.47553246
   0.92261724  0.24012152  0.06934706
   0.93188884  0.34706413  0.40193854
   0.34488070  0.12696366  0.63834452
   0.26677991  0.78911536  0.77064236
   0.19961064  1.11389841  0.20996481
   0.25835785  1.10818171  0.06037167
   0.66424183  0.32074873  0.86083187
   0.89735949  0.45605643  0.66162725
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910167    0.078315   -0.265375
    -0.000000    9.912180    0.035011
    -0.000000    0.000000   13.766311
   Si   O    H 
    32    64    10
Direct configuration=  2781
   0.17425798  0.18363847 -0.00969207
   0.35135893  0.09837037  0.37817556
   0.14062950  0.43986498  0.12233189
   0.38318431  0.33569501  0.24733096
   0.07760242  0.11762798  0.49029717
   0.38157892  0.13002037  0.85536293
   0.11293771  0.35454473  0.62665269
   0.38716194  0.37810800  0.74851946
   0.13666479  0.70869654  0.01726690
   0.40361158  0.58502304  0.37117689
   0.10122263  0.93659871  0.15420383
   0.34097642  0.84688281  0.26810930
   0.15477050  0.59360156  0.49123500
   0.36004862  0.63412236  0.86693844
   0.08533429  0.85101997  0.58995297
   0.35061275  0.98537266  0.67950987
   0.63049264  0.13774941  0.99522642
   0.83311801  0.12786444  0.33891725
   0.61749809  0.41445229  0.10812161
   0.89477955  0.31231906  0.16298528
   0.61689145  0.19947306  0.48786738
   0.90607156  0.10122163  0.88760330
   0.62368241  0.45337841  0.62550562
   0.77848845  0.36177417  0.81550883
   0.58929702  0.68087508 -0.00239910
   0.89831139  0.60808674  0.36940990
   0.56407416  0.90920468  0.13144184
   0.83545193  0.86303727  0.23620882
   0.65298152  0.68977715  0.47466114
   0.85783628  0.64270275  0.90056333
   0.65803280  0.95313378  0.61376496
   0.87206053  0.87779277  0.75390984
   0.11511336  0.09919150  0.17562976
   0.33115132  0.17977013  0.26666356
   0.15179925  0.34548311  0.02789571
   0.38086089  0.42340508  0.34514671
   0.52216267  0.35158380  0.18812409
   0.28217047  0.41784578  0.17309904
   0.21747242  0.14979286  0.43754232
  -0.05547103  0.19801468  0.41934409
   0.05905309 -0.04066598  0.50346839
   0.44754592  0.24113187  0.78737475
   0.05767554  0.20918444  0.58679598
   0.35324772  0.48099641  0.83818252
   0.46904803  0.46788619  0.66960194
   0.23527611  0.35207349  0.70499800
   0.24082553  0.19940190 -0.11282602
   0.02347836  0.12568391  0.96935129
   0.12079377  0.60367512  0.10243713
   0.40143612  0.70165539  0.29156803
   0.13758695  0.86292548  0.04945997
   0.38037158  0.93683433  0.36546384
   0.41419428  0.92009657  0.18255593
   0.18460047  0.86613713  0.24190477
   0.31411214  0.63887555  0.45832140
   0.05948114  0.61136822  0.39988371
   0.17708630  0.44418627  0.53545193
   0.29866160  0.69290740  0.76304805
   0.11750999  0.70394176  0.56679317
   0.34475252  0.97979950  0.79919898
   0.49692254  0.93428986  0.64221491
   0.22406419  0.89537926  0.64652894
   0.27253990  0.69302786 -0.03938209
   0.01290958  0.66921478  0.93934813
   0.62328030  0.05588824  0.09659976
   0.84152692  0.19105488  0.23138560
   0.61891684  0.30238500  0.02004437
   0.83775129  0.44785089  0.36432069
   0.03735855  0.38658123  0.19949971
   0.77702635  0.42171268  0.15287556
   0.69827246  0.18470280  0.38447217
   0.46564607  0.14397653  0.45563731
   0.69098632  0.09203316  0.55768331
   0.89900718  0.23942510  0.81686645
   0.60396034  0.33787696  0.54566784
   0.85160959  0.48464163  0.87107814
   0.99584761  0.44180096  0.67586355
   0.74041399  0.41360584  0.70649744
   0.75931581  0.09491268  0.93656198
   0.48748955  0.09774640  0.94428700
   0.56581954  0.56411507  0.07782135
   0.86417814  0.70263172  0.27562834
   0.52820595  0.81776806  0.03781473
   0.84557770  0.96416004  0.32831887
   0.94890315  0.88473698  0.15957023
   0.68000024  0.86662952  0.20194877
   0.80717290  0.70896313  0.44380850
   0.55880940  0.59190238  0.41156615
   0.66849994  0.60662508  0.58228476
   0.84382618  0.72557277  0.80325289
   0.57377871  0.84174625  0.47615376
   0.96098937  0.97347219  0.82817265
   0.95404821  0.84488533  0.66017010
   0.72603320  0.95638370  0.72742969
   0.75183662  0.69156974  0.98396396
   0.52563802  0.65342895  0.89279902
   0.75930833  0.86311565  0.57194298
   0.47527132  0.83275572  0.47762319
   0.92199332  0.23599396  0.07074274
   0.91907803  0.36468870  0.40598326
   0.33937018  0.12714303  0.64023813
   0.26068291  0.78510938  0.76606761
   0.18522723  1.11104684  0.20652671
   0.25073244  1.11207687  0.05461551
   0.66528567  0.32806833  0.86369746
   0.89822760  0.45288080  0.66394956
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909699    0.077047   -0.265708
    -0.000000    9.912572    0.036075
    -0.000000    0.000000   13.765562
   Si   O    H 
    32    64    10
Direct configuration=  2782
   0.17348689  0.18443397 -0.00966616
   0.35110449  0.09993255  0.37736174
   0.14168495  0.44002310  0.12243824
   0.38293460  0.33438043  0.24691602
   0.07801342  0.11933359  0.49110685
   0.38155711  0.12968066  0.85526333
   0.11446582  0.35442557  0.62600246
   0.38685619  0.37844373  0.74915298
   0.13539941  0.70875924  0.01782573
   0.40345608  0.58573978  0.37156985
   0.10065517  0.93770501  0.15384417
   0.34072607  0.84611358  0.26729189
   0.15450509  0.59417390  0.49134276
   0.36067908  0.63500327  0.86701046
   0.08510926  0.85065009  0.59054566
   0.35085410  0.98525889  0.68044084
   0.63087972  0.13896418  0.99555444
   0.83386661  0.12720649  0.33907756
   0.61810367  0.41214511  0.10921028
   0.89310973  0.31242150  0.16259323
   0.61693665  0.19980977  0.48862298
   0.90577140  0.10309562  0.88827878
   0.62298335  0.45272650  0.62495470
   0.77945030  0.36190661  0.81478757
   0.58957454  0.68018470 -0.00250047
   0.89785190  0.60699560  0.37021387
   0.56352519  0.90931870  0.13093737
   0.83675518  0.86274897  0.23655269
   0.65391621  0.68928943  0.47464516
   0.85861743  0.64185711  0.90048541
   0.65988183  0.95280700  0.61372505
   0.87244136  0.87675694  0.75413972
   0.11452440  0.09719091  0.17367699
   0.33128592  0.17953481  0.26858193
   0.15248789  0.34526745  0.02852404
   0.37919929  0.42321151  0.34608921
   0.52106026  0.35115014  0.18965633
   0.28366523  0.41710826  0.17403644
   0.21805675  0.14958848  0.43709184
  -0.05576873  0.19976206  0.41854809
   0.05940277 -0.04216040  0.50247551
   0.45018821  0.24105534  0.78651936
   0.05987836  0.20972496  0.58629151
   0.35196574  0.48028839  0.83970341
   0.46911752  0.46641253  0.66958028
   0.23486176  0.35159513  0.70444102
   0.24090152  0.19953118 -0.11301023
   0.02438481  0.12691779  0.96844287
   0.12053433  0.60496306  0.10282852
   0.40209710  0.70122601  0.29184691
   0.13550959  0.86285615  0.04978760
   0.37844610  0.93647490  0.36620308
   0.41295757  0.91926162  0.18325856
   0.18521038  0.86387388  0.24206079
   0.31361129  0.63855983  0.45755021
   0.06011855  0.61231445  0.39969273
   0.17597511  0.44220223  0.53487979
   0.29880625  0.69622403  0.76401375
   0.11583262  0.70365873  0.56845207
   0.34562202  0.98048589  0.80047831
   0.49633208  0.93450831  0.64178208
   0.22225003  0.89459439  0.64608040
   0.27231183  0.69107278 -0.03974184
   0.01219503  0.66900626  0.93983910
   0.62352651  0.05568547  0.09705839
   0.84152236  0.19166411  0.23262511
   0.61877573  0.30479142  0.02069829
   0.84074610  0.44515049  0.36642283
   0.03807701  0.38545910  0.20062889
   0.77777717  0.42225176  0.15246745
   0.69641959  0.18307806  0.38409747
   0.46514348  0.14403693  0.45569703
   0.69096400  0.09206901  0.55669843
   0.89803396  0.23837722  0.81574693
   0.60173996  0.33758097  0.54667446
   0.84987136  0.48512504  0.87176793
   0.99588328  0.44166997  0.67522716
   0.74059182  0.41417594  0.70675043
   0.75954563  0.09401267  0.93566635
   0.49015216  0.09858856  0.94561191
   0.56636267  0.56476598  0.07750068
   0.86562571  0.70533903  0.27425486
   0.52800120  0.81630138  0.03816594
   0.84651783  0.96460698  0.33036144
   0.94887480  0.88731905  0.15862076
   0.68169887  0.86587871  0.20085838
   0.80695769  0.70912488  0.44286492
   0.55876653  0.59263552  0.41115261
   0.66817614  0.60668626  0.58326124
   0.84243571  0.72613650  0.80457121
   0.57396576  0.83948577  0.47616434
   0.96078674  0.97250843  0.82767529
   0.95284317  0.84325193  0.65924307
   0.72624415  0.95496469  0.72731798
   0.75250089  0.69093833  0.98305803
   0.52628206  0.65307089  0.89267820
   0.76007162  0.86658918  0.56922460
   0.47635180  0.83379507  0.48102094
   0.92034107  0.23596255  0.07199766
   0.90045047  0.38751053  0.40548161
   0.33381092  0.12438744  0.64351969
   0.25694190  0.77869317  0.75794405
   0.20476577  1.11957431  0.22014047
   0.25291056  1.10831857  0.05404318
   0.65868203  0.33003627  0.86683479
   0.89991632  0.44399151  0.66599418
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908586    0.076080   -0.265830
    -0.000000    9.912638    0.036912
    -0.000000    0.000000   13.764750
   Si   O    H 
    32    64    10
Direct configuration=  2783
   0.17268456  0.18539470 -0.00971055
   0.35092919  0.10138313  0.37641592
   0.14306348  0.44002150  0.12226667
   0.38293332  0.33292917  0.24655250
   0.07798936  0.12115370  0.49116949
   0.38170038  0.12916510  0.85526054
   0.11596115  0.35518009  0.62607824
   0.38594379  0.37971603  0.74994056
   0.13488956  0.70952055  0.01786070
   0.40371792  0.58603211  0.37192445
   0.09983127  0.93873969  0.15342438
   0.34022995  0.84548028  0.26693254
   0.15495913  0.59434067  0.49194023
   0.36137469  0.63528557  0.86716752
   0.08463094  0.85084616  0.59143325
   0.35080927  0.98535134  0.68104563
   0.63099677  0.14009897  0.99602147
   0.83463553  0.12728750  0.33978740
   0.61905863  0.41032584  0.11015849
   0.89197445  0.31272123  0.16225515
   0.61675281  0.19980682  0.48899884
   0.90601312  0.10443145  0.88896908
   0.62254143  0.45238546  0.62447178
   0.78113399  0.36177303  0.81419534
   0.59043406  0.67975867 -0.00244544
   0.89758969  0.60658131  0.37085453
   0.56292876  0.90981068  0.13059187
   0.83793005  0.86244603  0.23653729
   0.65544364  0.68899275  0.47480063
   0.85939413  0.64096572  0.90055362
   0.66165481  0.95245014  0.61370640
   0.87172968  0.87590762  0.75432712
   0.11429805  0.09489482  0.17228359
   0.33110381  0.17859013  0.27058946
   0.15329572  0.34414303  0.02929828
   0.37784997  0.42357354  0.34791443
   0.52002134  0.35047408  0.19107741
   0.28554838  0.41726390  0.17535910
   0.21870840  0.14908032  0.43677192
  -0.05545213  0.20068165  0.41847474
   0.05883684 -0.04433799  0.50207672
   0.45300571  0.24156140  0.78562447
   0.06226012  0.21035762  0.58562773
   0.35044808  0.47916358  0.84148322
   0.47041687  0.46543788  0.66930704
   0.23421812  0.35126180  0.70415240
   0.24153761  0.19903428 -0.11311319
   0.02498571  0.12855794  0.96830960
   0.12122453  0.60558023  0.10305136
   0.40237278  0.70039284  0.29145940
   0.13361914  0.86277499  0.05072521
   0.37598260  0.93610424  0.36713118
   0.41168541  0.91834906  0.18329218
   0.18627984  0.86180712  0.24206039
   0.31255301  0.63764882  0.45700624
   0.05999685  0.61398803  0.39928118
   0.17455435  0.43959100  0.53444717
   0.29936458  0.69899609  0.76505229
   0.11391344  0.70333493  0.56926189
   0.34618762  0.98084258  0.80133098
   0.49563544  0.93478354  0.64147673
   0.22037294  0.89457628  0.64534281
   0.27256650  0.68922722 -0.04094782
   0.01164166  0.66891506  0.94031632
   0.62301555  0.05485021  0.09753433
   0.84152002  0.19212750  0.23383476
   0.61881521  0.30609926  0.02153841
   0.84256295  0.44379093  0.36788256
   0.03808328  0.38394899  0.20161297
   0.77813645  0.42430153  0.15180374
   0.69375265  0.18228348  0.38335490
   0.46491247  0.14483852  0.45558556
   0.69136954  0.09213903  0.55591577
   0.89688438  0.23695865  0.81487400
   0.60019057  0.33662392  0.54727000
   0.84813161  0.48587875  0.87215729
   0.99596342  0.44183201  0.67476084
   0.74004205  0.41461467  0.70682394
   0.75936755  0.09289545  0.93562012
   0.49191248  0.10013753  0.94679264
   0.56670848  0.56483955  0.07705812
   0.86763001  0.70706381  0.27358898
   0.52759944  0.81611119  0.03829299
   0.84746167  0.96485504  0.33190150
   0.94789363  0.88964206  0.15771592
   0.68312147  0.86607808  0.20055338
   0.80650777  0.70823767  0.44173827
   0.55864360  0.59340467  0.41067306
   0.66683148  0.60710467  0.58379570
   0.84041115  0.72774285  0.80573459
   0.57422806  0.83725748  0.47582519
   0.96003793  0.97220783  0.82741454
   0.95162400  0.84256654  0.65828966
   0.72698384  0.95462212  0.72690724
   0.75362783  0.68984817  0.98225951
   0.52711077  0.65304600  0.89216520
   0.76167082  0.86539247  0.56791659
   0.47397177  0.83064619  0.48351644
   0.91517539  0.23985109  0.07514975
   0.88674636  0.40695240  0.40506190
   0.32844603  0.12236116  0.64550143
   0.24694819  0.78708532  0.74996561
   0.21554430  1.12825838  0.22586472
   0.25878851  1.10008679  0.05497596
   0.64837509  0.32780781  0.86793726
   0.89759888  0.43237826  0.66989925
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907762    0.075116   -0.265684
    -0.000000    9.912781    0.037122
    -0.000000    0.000000   13.764006
   Si   O    H 
    32    64    10
Direct configuration=  2784
   0.17190493  0.18646287 -0.01001316
   0.35114993  0.10261895  0.37561054
   0.14444883  0.44029257  0.12223605
   0.38247036  0.33201529  0.24607786
   0.07769051  0.12282685  0.49126541
   0.38191851  0.12862041  0.85546371
   0.11712555  0.35600279  0.62648234
   0.38487903  0.38123069  0.75060494
   0.13478885  0.70988384  0.01733507
   0.40437391  0.58671480  0.37224296
   0.09914878  0.93962358  0.15283594
   0.33992856  0.84506205  0.26681062
   0.15542896  0.59441172  0.49233117
   0.36246184  0.63585610  0.86727297
   0.08361479  0.85112476  0.59220421
   0.35067478  0.98525290  0.68160283
   0.63114518  0.14112890  0.99725815
   0.83600710  0.12739464  0.34071800
   0.61990014  0.40915861  0.11087294
   0.89212852  0.31308591  0.16205986
   0.61652939  0.19981209  0.48911934
   0.90641057  0.10562877  0.88951505
   0.62238668  0.45236330  0.62387668
   0.78276230  0.36146701  0.81387611
   0.59109363  0.67873874 -0.00245791
   0.89732588  0.60652201  0.37141728
   0.56229150  0.91030778  0.12996379
   0.83814828  0.86147978  0.23653649
   0.65672981  0.68879195  0.47523896
   0.86075882  0.63979900  0.90094053
   0.66339174  0.95171153  0.61362414
   0.87060944  0.87526900  0.75386392
   0.11375665  0.09363243  0.17190073
   0.33171963  0.17794977  0.27295602
   0.15435742  0.34308083  0.03018800
   0.37658740  0.42448453  0.34913206
   0.52016810  0.34954134  0.19226313
   0.28706212  0.41701518  0.17623784
   0.21996232  0.14850347  0.43634559
  -0.05455806  0.20054525  0.41828368
   0.05803914 -0.04622282  0.50153468
   0.45556526  0.24126276  0.78462680
   0.06450108  0.21120117  0.58432441
   0.34829128  0.47793734  0.84295975
   0.47249755  0.46444205  0.66909152
   0.23397743  0.35078627  0.70431847
   0.24205175  0.19849410 -0.11313380
   0.02606361  0.13031456  0.96835573
   0.12225945  0.60597121  0.10335424
   0.40224696  0.70026455  0.29060893
   0.13171810  0.86263110  0.05198965
   0.37280361  0.93474170  0.36791915
   0.41174924  0.91737385  0.18313665
   0.18626379  0.85985140  0.24152787
   0.31124074  0.63641876  0.45697005
   0.05986934  0.61442395  0.39870825
   0.17300571  0.43754916  0.53372301
   0.30065102  0.70153579  0.76573610
   0.11219374  0.70182914  0.56996734
   0.34673830  0.98279096  0.80216365
   0.49498396  0.93475929  0.64145515
   0.21822440  0.89463639  0.64436105
   0.27240408  0.68785491 -0.04163768
   0.01121888  0.66991261  0.94022861
   0.62334989  0.05342219  0.09801577
   0.84215907  0.19284643  0.23463195
   0.61858145  0.30637423  0.02203159
   0.84191243  0.44556661  0.36701366
   0.03795632  0.38302737  0.20255999
   0.77787142  0.42719638  0.15113688
   0.69056675  0.18154361  0.38276034
   0.46489336  0.14561515  0.45530508
   0.69151135  0.09163442  0.55539297
   0.89595347  0.23523512  0.81443234
   0.59949222  0.33563016  0.54731461
   0.84648130  0.48653683  0.87244537
   0.99622849  0.44303901  0.67384720
   0.73799354  0.41498844  0.70662664
   0.75900351  0.09194062  0.93518738
   0.49303168  0.10112898  0.94680066
   0.56718415  0.56439906  0.07687765
   0.86910345  0.70867634  0.27356436
   0.52742608  0.81598510  0.03790106
   0.84772249  0.96419734  0.33322218
   0.94633581  0.89240269  0.15689976
   0.68490137  0.86618869  0.20059278
   0.80649233  0.70704862  0.44055196
   0.55857687  0.59374819  0.41014777
   0.66564641  0.60724616  0.58352052
   0.83776416  0.72994378  0.80657107
   0.57409028  0.83529849  0.47530471
   0.95834390  0.97193240  0.82704372
   0.95079593  0.84233821  0.65718194
   0.72777649  0.95422228  0.72643975
   0.75478244  0.68782893  0.98160251
   0.52751636  0.65343077  0.89167208
   0.76020391  0.85990810  0.56818899
   0.47546091  0.82204942  0.48693281
   0.90792568  0.24655229  0.07359293
   0.91182965  0.38876886  0.43665054
   0.32443545  0.12120568  0.64593398
   0.24180132  0.79072836  0.74477167
   0.21928691  1.13486448  0.22813525
   0.26171488  1.09110594  0.05252441
   0.64746186  0.32916567  0.86527497
   0.89688362  0.42419251  0.67361691
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906995    0.074479   -0.265531
    -0.000000    9.913124    0.037305
    -0.000000    0.000000   13.763173
   Si   O    H 
    32    64    10
Direct configuration=  2785
   0.17147082  0.18800300 -0.01021853
   0.35143707  0.10331817  0.37560590
   0.14596065  0.44097798  0.12244880
   0.38121674  0.33220545  0.24587899
   0.07760223  0.12389709  0.49099429
   0.38270400  0.12816675  0.85571847
   0.11781336  0.35684681  0.62700610
   0.38327112  0.38306223  0.75076020
   0.13469437  0.71028619  0.01682436
   0.40472325  0.58699557  0.37240983
   0.09859273  0.94047303  0.15243933
   0.33981045  0.84431349  0.26691755
   0.15600365  0.59454354  0.49315644
   0.36333620  0.63645476  0.86696068
   0.08221158  0.85149319  0.59294783
   0.35096156  0.98536749  0.68190015
   0.63106765  0.14263878  0.99854483
   0.83709123  0.12743764  0.34166261
   0.62070471  0.40812049  0.11175020
   0.89268224  0.31312015  0.16156878
   0.61564278  0.19916150  0.48922982
   0.90703728  0.10660739  0.88973398
   0.62255017  0.45277130  0.62284819
   0.78419072  0.36100341  0.81382702
   0.59200587  0.67779096 -0.00243211
   0.89629472  0.60694124  0.37149296
   0.56124042  0.91114919  0.12996091
   0.83853886  0.86073135  0.23678526
   0.65813000  0.68892254  0.47569221
   0.86178581  0.63841579  0.90129505
   0.66474783  0.95062800  0.61364032
   0.86984905  0.87456742  0.75332315
   0.11322743  0.09332530  0.17190385
   0.33233127  0.17716100  0.27453203
   0.15589208  0.34195199  0.03071600
   0.37583211  0.42548796  0.34953109
   0.52031326  0.34870180  0.19340600
   0.28841532  0.41681975  0.17652592
   0.22127946  0.14734616  0.43603047
  -0.05345385  0.19942015  0.41818467
   0.05719199 -0.04767516  0.50089435
   0.45783438  0.24110529  0.78368968
   0.06721329  0.21226264  0.58369009
   0.34668416  0.47653767  0.84402186
   0.47429583  0.46276312  0.66903908
   0.23399213  0.35061004  0.70461210
   0.24235565  0.19714832 -0.11370080
   0.02689002  0.13224281  0.96850193
   0.12345498  0.60555688  0.10355960
   0.40211282  0.69995571  0.28939151
   0.13051369  0.86272567  0.05331130
   0.37000399  0.93340922  0.36850795
   0.41249191  0.91663546  0.18223462
   0.18495653  0.85820537  0.24064882
   0.30940732  0.63646817  0.45695425
   0.05846446  0.61496800  0.39774251
   0.17183097  0.43543893  0.53303177
   0.30066324  0.70427973  0.76587745
   0.11211243  0.69973946  0.57022178
   0.34680482  0.98477857  0.80326914
   0.49469659  0.93499459  0.64118081
   0.21695416  0.89438563  0.64343943
   0.27253338  0.68564923 -0.04233830
   0.01148586  0.67092257  0.94053630
   0.62396812  0.05205442  0.09803347
   0.84313169  0.19368171  0.23454099
   0.61839626  0.30672130  0.02220741
   0.84228610  0.44766940  0.36687289
   0.03726298  0.38223888  0.20283029
   0.77714581  0.42984308  0.15083313
   0.68863817  0.18088975  0.38235704
   0.46512648  0.14564048  0.45567578
   0.69209654  0.09053048  0.55479334
   0.89504017  0.23347854  0.81424426
   0.59929946  0.33465253  0.54689934
   0.84427938  0.48669032  0.87315316
   0.99558372  0.44369791  0.67342696
   0.73582071  0.41517267  0.70633086
   0.75804067  0.09160880  0.93528147
   0.49309152  0.10148754  0.94600716
   0.56732908  0.56379091  0.07677432
   0.86989100  0.70952481  0.27330481
   0.52771810  0.81630898  0.03752466
   0.84801969  0.96425503  0.33413257
   0.94527173  0.89433518  0.15599408
   0.68597674  0.86557739  0.20008599
   0.80704262  0.70596889  0.43908167
   0.55896447  0.59478609  0.40923804
   0.66358709  0.60704037  0.58310184
   0.83536550  0.73187517  0.80697506
   0.57409373  0.83378239  0.47464086
   0.95643918  0.97196948  0.82721612
   0.95058735  0.84259240  0.65623299
   0.72961055  0.95452660  0.72569883
   0.75501664  0.68616396  0.98139074
   0.52753078  0.65369189  0.89102987
   0.75641096  0.85215990  0.56937734
   0.48153814  0.81510886  0.48975014
   0.90120839  0.25076844  0.06883731
   0.92740504  0.37614017  0.45662766
   0.32146251  0.12462309  0.64754164
   0.24565047  0.78287289  0.74365781
   0.21834075  1.13608479  0.22654344
   0.25836050  1.08733003  0.04597544
   0.64894006  0.32941172  0.86254463
   0.89971334  0.41652260  0.67602974
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906402    0.073866   -0.265262
    -0.000000    9.913443    0.037718
    -0.000000    0.000000   13.762129
   Si   O    H 
    32    64    10
Direct configuration=  2786
   0.17156810  0.18912067 -0.01035567
   0.35146142  0.10349483  0.37599713
   0.14683359  0.44145645  0.12307658
   0.38042570  0.33280985  0.24561149
   0.07760331  0.12440492  0.49037253
   0.38355228  0.12772113  0.85602302
   0.11819585  0.35738501  0.62695847
   0.38188420  0.38459310  0.75048532
   0.13478824  0.71121175  0.01609092
   0.40468451  0.58715872  0.37270143
   0.09810639  0.94091386  0.15218342
   0.33922441  0.84382443  0.26761683
   0.15694182  0.59481327  0.49379911
   0.36397805  0.63663318  0.86696956
   0.08066825  0.85242994  0.59342445
   0.35121533  0.98553363  0.68229440
   0.63150911  0.14396456  1.00005660
   0.83793635  0.12789938  0.34240814
   0.62149812  0.40746071  0.11242443
   0.89267692  0.31353620  0.16139829
   0.61520645  0.19836996  0.48910525
   0.90747615  0.10700207  0.89001186
   0.62272599  0.45336475  0.62218165
   0.78551175  0.36022484  0.81377762
   0.59233076  0.67742866 -0.00203676
   0.89537907  0.60750671  0.37105854
   0.56029059  0.91181933  0.12987017
   0.83921641  0.86043374  0.23694934
   0.65896622  0.68903160  0.47593172
   0.86308391  0.63798272  0.90232852
   0.66544752  0.94946706  0.61341007
   0.86881355  0.87411527  0.75338433
   0.11193424  0.09458521  0.17243617
   0.33265378  0.17639015  0.27507453
   0.15756708  0.34044363  0.03131595
   0.37601793  0.42593967  0.35050593
   0.52070952  0.34895554  0.19428806
   0.28915276  0.41751411  0.17689733
   0.22211555  0.14607443  0.43543710
  -0.05254713  0.19780684  0.41825768
   0.05602874 -0.04887256  0.50095062
   0.45936061  0.24132086  0.78285776
   0.06963773  0.21305345  0.58312769
   0.34510707  0.47452542  0.84499179
   0.47555695  0.46171756  0.66926147
   0.23460728  0.34985751  0.70471108
   0.24318366  0.19647945 -0.11474255
   0.02822027  0.13370407  0.96882751
   0.12450981  0.60426316  0.10408642
   0.40244551  0.70017429  0.28753079
   0.12936124  0.86202955  0.05369097
   0.36742356  0.93258961  0.36928777
   0.41335577  0.91572435  0.18097891
   0.18338757  0.85653036  0.23947102
   0.30743609  0.63661208  0.45661593
   0.05670779  0.61612034  0.39657564
   0.16997054  0.43432089  0.53201887
   0.30073967  0.70616774  0.76610785
   0.11229029  0.69702979  0.57057353
   0.34648554  0.98769694  0.80393684
   0.49451238  0.93540126  0.64089022
   0.21636262  0.89442183  0.64308228
   0.27354596  0.68376716 -0.04257340
   0.01207735  0.67230107  0.94107653
   0.62381144  0.05137520  0.09846777
   0.84449206  0.19522224  0.23384406
   0.61749394  0.30615838  0.02181309
   0.84352685  0.44950834  0.36675922
   0.03671734  0.38154926  0.20311896
   0.77720180  0.43217927  0.15078531
   0.68714724  0.18045031  0.38266526
   0.46516284  0.14618354  0.45627959
   0.69179606  0.08933783  0.55439507
   0.89521039  0.23242126  0.81426473
   0.59918987  0.33381889  0.54681780
   0.84340983  0.48695751  0.87381080
   0.99491417  0.44372879  0.67361234
   0.73374017  0.41466942  0.70652838
   0.75717044  0.09080492  0.93546433
   0.49279321  0.10138105  0.94505450
   0.56688481  0.56241589  0.07690895
   0.87127357  0.71043464  0.27294488
   0.52829300  0.81710422  0.03735314
   0.84843853  0.96448808  0.33408491
   0.94385538  0.89604629  0.15565168
   0.68628099  0.86411961  0.19964591
   0.80770005  0.70479565  0.43754006
   0.55945176  0.59642476  0.40834085
   0.66205904  0.60686134  0.58212168
   0.83331764  0.73491826  0.80726944
   0.57461034  0.83261653  0.47427623
   0.95441379  0.97217028  0.82788920
   0.95077783  0.84315867  0.65548688
   0.73173914  0.95486926  0.72516983
   0.75499913  0.68405018  0.98151218
   0.52776467  0.65426256  0.89056906
   0.75451529  0.84569048  0.57300393
   0.48342332  0.81164341  0.49233605
   0.89601392  0.25647753  0.06093099
   0.93027780  0.37037969  0.46214970
   0.31949832  0.12510196  0.64675140
   0.25144566  0.77437123  0.74636559
   0.21249347  1.12968090  0.22170725
   0.25499146  1.08529670  0.03600319
   0.65878575  0.32885005  0.85709526
   0.90515491  0.41286036  0.67835829
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905993    0.073164   -0.265136
    -0.000000    9.913968    0.038044
    -0.000000    0.000000   13.761204
   Si   O    H 
    32    64    10
Direct configuration=  2787
   0.17178299  0.19049188 -0.01081786
   0.35188926  0.10309978  0.37689324
   0.14750453  0.44134261  0.12357338
   0.37986942  0.33305409  0.24592389
   0.07694319  0.12481173  0.48942698
   0.38459291  0.12718975  0.85616566
   0.11785211  0.35827315  0.62715622
   0.38063490  0.38650048  0.75047842
   0.13507736  0.71135032  0.01513874
   0.40431730  0.58725192  0.37297572
   0.09812583  0.94004529  0.15221372
   0.33868621  0.84351202  0.26823551
   0.15711658  0.59485464  0.49402344
   0.36418420  0.63655281  0.86654524
   0.07911262  0.85344581  0.59353154
   0.35137899  0.98564963  0.68271329
   0.63183561  0.14519036  1.00155154
   0.83890135  0.12904544  0.34330912
   0.62247555  0.40727012  0.11297584
   0.89277886  0.31446428  0.16103999
   0.61417526  0.19730609  0.48841221
   0.90747334  0.10749839  0.89046278
   0.62366796  0.45364219  0.62137808
   0.78648400  0.35999207  0.81380430
   0.59289104  0.67730499 -0.00204946
   0.89481352  0.60807343  0.37046271
   0.56028444  0.91257724  0.13009737
   0.84056194  0.86025765  0.23734822
   0.66032683  0.68898853  0.47592472
   0.86464188  0.63832254  0.90374958
   0.66567585  0.94889213  0.61354432
   0.86811739  0.87399246  0.75314101
   0.11158232  0.09646041  0.17324465
   0.33342142  0.17647234  0.27565169
   0.15948290  0.33909615  0.03161479
   0.37639117  0.42617925  0.35123302
   0.52133299  0.34900663  0.19498412
   0.28980480  0.41907805  0.17680980
   0.22263914  0.14519536  0.43460512
  -0.05115024  0.19686619  0.41796433
   0.05532226 -0.04950296  0.50132811
   0.46080649  0.24184386  0.78214756
   0.07196606  0.21374523  0.58267429
   0.34366774  0.47285628  0.84610818
   0.47707644  0.46107485  0.66906565
   0.23486282  0.34876060  0.70479249
   0.24400583  0.19675553 -0.11573740
   0.02788783  0.13492765  0.96934294
   0.12505740  0.60306640  0.10490336
   0.40282094  0.69949106  0.28566339
   0.12860756  0.86115910  0.05413994
   0.36506995  0.93176756  0.37014088
   0.41448102  0.91548879  0.17955378
   0.18154141  0.85532149  0.23818210
   0.30548480  0.63642659  0.45581464
   0.05519619  0.61696697  0.39580104
   0.16840050  0.43387590  0.53082759
   0.30286512  0.70651880  0.76632837
   0.11205767  0.69409625  0.57147033
   0.34587206  0.99038111  0.80425507
   0.49488547  0.93499717  0.64071546
   0.21657159  0.89505206  0.64327772
   0.27444271  0.68114003 -0.04341834
   0.01135583  0.67341170  0.94160800
   0.62293375  0.05105160  0.09851181
   0.84559779  0.19658665  0.23328318
   0.61729113  0.30465982  0.02145349
   0.84502661  0.45144189  0.36668520
   0.03581950  0.38079903  0.20332887
   0.77791100  0.43396955  0.15112338
   0.68545810  0.18121959  0.38309729
   0.46435066  0.14681836  0.45669399
   0.69074011  0.08798109  0.55466703
   0.89552952  0.23166765  0.81394308
   0.59986044  0.33282190  0.54632032
   0.84241736  0.48690014  0.87453361
   0.99461597  0.44380710  0.67384211
   0.73164632  0.41360735  0.70658781
   0.75622415  0.09005554  0.93598915
   0.49183307  0.10052268  0.94370583
   0.56595905  0.56065798  0.07718886
   0.87293937  0.71018779  0.27326136
   0.52918247  0.81782074  0.03719596
   0.84874092  0.96494387  0.33336051
   0.94220740  0.89834536  0.15533480
   0.68661721  0.86280070  0.19876206
   0.80748079  0.70354445  0.43622613
   0.55998715  0.59794530  0.40772782
   0.66110567  0.60620645  0.58165233
   0.83101269  0.73752525  0.80782981
   0.57513227  0.83124023  0.47411904
   0.95229869  0.97288093  0.82842726
   0.95123487  0.84346404  0.65575876
   0.73424076  0.95503176  0.72457928
   0.75486735  0.68226591  0.98194250
   0.52729950  0.65476336  0.89047057
   0.75454693  0.83896714  0.57884455
   0.48030436  0.80853337  0.49514479
   0.89380440  0.26392683  0.05242419
   0.92398695  0.36976537  0.45605262
   0.32016832  0.12513349  0.64731133
   0.23988954  0.78961091  0.73905051
   0.19704304  1.12499554  0.21451676
   0.25288120  1.08193418  0.02619631
   0.66845243  0.32801547  0.85274437
   0.90450066  0.41024720  0.67908746
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905514    0.072996   -0.264859
    -0.000000    9.914448    0.037837
    -0.000000    0.000000   13.760631
   Si   O    H 
    32    64    10
Direct configuration=  2788
   0.17204879  0.19207237 -0.01116230
   0.35319448  0.10214648  0.37830072
   0.14851908  0.44091747  0.12405843
   0.37912157  0.33302899  0.24662499
   0.07686585  0.12508478  0.48816398
   0.38563162  0.12721556  0.85646580
   0.11720236  0.35854191  0.62717668
   0.37970032  0.38783969  0.75022254
   0.13570193  0.71160860  0.01413176
   0.40383577  0.58671482  0.37298146
   0.09800438  0.93848959  0.15254330
   0.33849181  0.84401901  0.26900270
   0.15732906  0.59491077  0.49358751
   0.36461661  0.63667650  0.86578736
   0.07770369  0.85444746  0.59338546
   0.35109930  0.98603523  0.68303922
   0.63169597  0.14614851  1.00310136
   0.83928200  0.13039739  0.34397315
   0.62336674  0.40735827  0.11339657
   0.89292308  0.31566288  0.16054566
   0.61346097  0.19595381  0.48751725
   0.90788448  0.10781463  0.89100788
   0.62410107  0.45462996  0.62103500
   0.78743497  0.35983583  0.81370846
   0.59357418  0.67722028 -0.00237863
   0.89509897  0.60824590  0.36951058
   0.56081082  0.91273254  0.13049128
   0.84185504  0.86070315  0.23807828
   0.66118193  0.68814533  0.47619743
   0.86592824  0.63977633  0.90532672
   0.66495667  0.94821174  0.61365341
   0.86771507  0.87353886  0.75283974
   0.11188736  0.09887332  0.17450403
   0.33469399  0.17629372  0.27598515
   0.16143747  0.33785213  0.03153967
   0.37616480  0.42657234  0.35175778
   0.52255825  0.34871561  0.19494926
   0.29091685  0.42058671  0.17638965
   0.22225874  0.14393702  0.43382968
  -0.04904654  0.19630180  0.41750834
   0.05407788 -0.04864358  0.50173645
   0.46179936  0.24292273  0.78136679
   0.07348896  0.21461283  0.58193840
   0.34245884  0.47127710  0.84706238
   0.47739173  0.45987236  0.66928422
   0.23493136  0.34833756  0.70520151
   0.24474693  0.19675819 -0.11649605
   0.02616902  0.13515383  0.96949748
   0.12561020  0.60243234  0.10614070
   0.40195452  0.69842261  0.28398780
   0.12857789  0.86108445  0.05491407
   0.36312848  0.93141490  0.37077075
   0.41520388  0.91609606  0.17839630
   0.17975784  0.85440954  0.23703140
   0.30371243  0.63647261  0.45499652
   0.05336263  0.61830203  0.39510672
   0.16677708  0.43472408  0.52937102
   0.30454536  0.70826337  0.76625144
   0.11165958  0.69129506  0.57258765
   0.34491872  0.99146550  0.80427028
   0.49472273  0.93472904  0.64047696
   0.21779232  0.89650911  0.64371105
   0.27398630  0.67863565 -0.04420397
   0.01098896  0.67521071  0.94218127
   0.62228564  0.05121781  0.09877289
   0.84660398  0.19713397  0.23278888
   0.61687524  0.30274566  0.02149622
   0.84631816  0.45299338  0.36704043
   0.03520187  0.38096505  0.20299784
   0.77874270  0.43556599  0.15100241
   0.68387849  0.18160419  0.38392841
   0.46364348  0.14790744  0.45772537
   0.68927935  0.08703449  0.55553162
   0.89617861  0.23181644  0.81363679
   0.59978553  0.33229455  0.54600926
   0.84181479  0.48650655  0.87574630
   0.99424771  0.44397174  0.67432858
   0.72937327  0.41243048  0.70698765
   0.75569631  0.08955983  0.93628606
   0.49059160  0.09928978  0.94221176
   0.56466889  0.55841828  0.07733675
   0.87512391  0.70939966  0.27325152
   0.52999115  0.81901641  0.03694259
   0.84940722  0.96514886  0.33255035
   0.94032038  0.89951518  0.15444622
   0.68627457  0.86083866  0.19781833
   0.80720432  0.70255070  0.43551495
   0.56088457  0.59867923  0.40704173
   0.66042559  0.60576298  0.58124125
   0.83002742  0.73848533  0.80843826
   0.57453710  0.82970786  0.47405086
   0.95110487  0.97430572  0.82864985
   0.95074010  0.84427945  0.65621673
   0.73598316  0.95477760  0.72458069
   0.75490653  0.67998435  0.98259056
   0.52773098  0.65551934  0.89020558
   0.75548656  0.83818568  0.58120576
   0.48215663  0.80869999  0.49750235
   0.89138180  0.27493917  0.05212015
   0.90581148  0.37163181  0.43823294
   0.32056713  0.12480225  0.64781594
   0.23655068  0.79245507  0.73497815
   0.17749122  1.11863982  0.20429346
   0.25282945  1.07858260  0.02113065
   0.66817860  0.32283804  0.85383535
   0.90050886  0.40703682  0.67846639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904920    0.072410   -0.264913
    -0.000000    9.914707    0.037546
    -0.000000    0.000000   13.759907
   Si   O    H 
    32    64    10
Direct configuration=  2789
   0.17252708  0.19348513 -0.01149648
   0.35468513  0.10092518  0.37954069
   0.14941449  0.44149885  0.12513279
   0.37872855  0.33321117  0.24721411
   0.07728981  0.12487568  0.48709327
   0.38635515  0.12755501  0.85630183
   0.11656402  0.35905134  0.62722370
   0.37918202  0.38834236  0.74980792
   0.13596249  0.71158818  0.01318719
   0.40373758  0.58608031  0.37262047
   0.09863447  0.93665007  0.15282280
   0.33845010  0.84511570  0.26945747
   0.15752333  0.59535559  0.49331425
   0.36474924  0.63679567  0.86467531
   0.07666522  0.85504538  0.59282700
   0.35086289  0.98664404  0.68343843
   0.63147182  0.14655443  1.00419513
   0.83854909  0.13154060  0.34407794
   0.62432580  0.40753212  0.11377968
   0.89330399  0.31672173  0.15992740
   0.61222453  0.19384158  0.48654624
   0.90793837  0.10763129  0.89174267
   0.62430593  0.45601120  0.62081124
   0.78849570  0.35907160  0.81393334
   0.59413761  0.67737405 -0.00312940
   0.89501813  0.60876577  0.36821214
   0.56164179  0.91290946  0.13101142
   0.84215357  0.86126600  0.23896214
   0.66190685  0.68749877  0.47656687
   0.86711746  0.64109584  0.90662006
   0.66397602  0.94730268  0.61360561
   0.86732444  0.87334921  0.75242149
   0.10859209  0.09953769  0.17450515
   0.33638376  0.17679306  0.27625887
   0.16218252  0.33773816  0.03163944
   0.37603873  0.42706071  0.35191964
   0.52361529  0.34853085  0.19452705
   0.29197907  0.42184984  0.17563275
   0.22068312  0.14293626  0.43330431
  -0.04699511  0.19552282  0.41720878
   0.05251608 -0.04671423  0.50173867
   0.46216304  0.24368009  0.78064582
   0.07435247  0.21545449  0.58179862
   0.34153975  0.46958378  0.84774886
   0.47670360  0.45950278  0.66963051
   0.23519524  0.34769005  0.70578065
   0.24563175  0.19645936 -0.11740363
   0.02446908  0.13624420  0.96969456
   0.12528766  0.60147800  0.10736128
   0.40079715  0.69682245  0.28249899
   0.12903735  0.86088080  0.05607400
   0.36128831  0.93135036  0.37158054
   0.41602529  0.91744854  0.17763307
   0.17862851  0.85262315  0.23613827
   0.30287584  0.63735981  0.45390515
   0.05182290  0.61908776  0.39515174
   0.16611118  0.43631083  0.52775844
   0.30614759  0.70987200  0.76642750
   0.11137624  0.68867224  0.57409363
   0.34347336  0.99295069  0.80392506
   0.49408966  0.93411336  0.64037518
   0.22004719  0.89774603  0.64428185
   0.27406934  0.67643888 -0.04436930
   0.01048104  0.67682772  0.94225103
   0.62069042  0.05147093  0.09890459
   0.84741861  0.19703900  0.23265751
   0.61702488  0.30159859  0.02179126
   0.84767454  0.45402381  0.36869660
   0.03470523  0.38096772  0.20213877
   0.77936626  0.43676276  0.15053685
   0.68377902  0.18149356  0.38448195
   0.46285433  0.14937595  0.45887098
   0.68802327  0.08572120  0.55610360
   0.89654205  0.23268993  0.81276376
   0.60053365  0.33258767  0.54564337
   0.84101757  0.48548346  0.87691656
   0.99361941  0.44414371  0.67533387
   0.72686655  0.41156542  0.70745585
   0.75465997  0.08958384  0.93691804
   0.48996237  0.09828261  0.94113649
   0.56336349  0.55578474  0.07788310
   0.87784218  0.70868157  0.27265356
   0.53061244  0.81963412  0.03706979
   0.85015821  0.96539273  0.33198289
   0.93927181  0.90125887  0.15283170
   0.68561321  0.85912215  0.19745957
   0.80618029  0.70220686  0.43598496
   0.56167464  0.59809690  0.40604554
   0.65969722  0.60484356  0.58107945
   0.82922453  0.73960999  0.80929475
   0.57373087  0.82844144  0.47412803
   0.95004774  0.97618257  0.82921495
   0.94997298  0.84534503  0.65659726
   0.73704850  0.95499869  0.72444722
   0.75492894  0.67778925  0.98291597
   0.52850653  0.65594573  0.89026819
   0.75705838  0.83628152  0.58305309
   0.48714231  0.81054777  0.49734799
   0.89337102  0.28590804  0.05729542
   0.88583166  0.37981660  0.41072031
   0.32203111  0.12259907  0.64765138
   0.23999799  0.78325524  0.73731228
   0.22015276  1.13609018  0.22129772
   0.25647339  1.07528299  0.01920593
   0.65893425  0.31271107  0.85540349
   0.89926386  0.40751765  0.67699913
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904467    0.071660   -0.265265
    -0.000000    9.915070    0.037319
    -0.000000    0.000000   13.759357
   Si   O    H 
    32    64    10
Direct configuration=  2790
   0.17281647  0.19461943 -0.01181523
   0.35524571  0.09946383  0.38066694
   0.15040604  0.44159787  0.12613660
   0.37871597  0.33324399  0.24802598
   0.07791292  0.12455216  0.48576611
   0.38697299  0.12851811  0.85598885
   0.11633825  0.35984699  0.62662682
   0.37912251  0.38846068  0.74924987
   0.13611716  0.71162689  0.01234123
   0.40371867  0.58616802  0.37265022
   0.09911670  0.93512039  0.15326066
   0.33784924  0.84623037  0.26973471
   0.15763835  0.59492887  0.49250554
   0.36538343  0.63726231  0.86326404
   0.07599952  0.85467504  0.59253117
   0.35063298  0.98734213  0.68410498
   0.63097307  0.14663350  1.00502740
   0.83723331  0.13251016  0.34430538
   0.62476421  0.40818919  0.11399354
   0.89259969  0.31707126  0.15936180
   0.61173628  0.19215120  0.48570746
   0.90755429  0.10761197  0.89241572
   0.62400563  0.45664893  0.62095586
   0.78938039  0.35802476  0.81411474
   0.59427558  0.67732014 -0.00370779
   0.89483983  0.60964471  0.36707193
   0.56235185  0.91288416  0.13125515
   0.84271528  0.86142651  0.24029968
   0.66198015  0.68635009  0.47706482
   0.86764210  0.64182202  0.90727130
   0.66327469  0.94651500  0.61407660
   0.86721974  0.87376583  0.75246941
   0.10670268  0.10032068  0.17467366
   0.33874792  0.17739799  0.27621223
   0.16289709  0.33787569  0.03159883
   0.37543577  0.42708288  0.35176566
   0.52473610  0.34803095  0.19472621
   0.29363995  0.42340585  0.17508903
   0.21837578  0.14157070  0.43380671
  -0.04495794  0.19451393  0.41712340
   0.05116902 -0.04510266  0.50145189
   0.46289666  0.24432765  0.78048326
   0.07441140  0.21634464  0.58187268
   0.34061078  0.46894757  0.84869776
   0.47510672  0.45973021  0.67066556
   0.23593962  0.34708582  0.70622223
   0.24583693  0.19716103 -0.11801171
   0.02270815  0.13706382  0.97001651
   0.12477441  0.60148655  0.10808891
   0.39938506  0.69495367  0.28087353
   0.12917217  0.86017747  0.05665624
   0.36034686  0.93155348  0.37209292
   0.41665395  0.91881579  0.17761851
   0.17791942  0.85041683  0.23550409
   0.30162440  0.63821593  0.45334491
   0.05074302  0.61975530  0.39562236
   0.16518852  0.43795835  0.52673779
   0.30783275  0.71124506  0.76679874
   0.11082580  0.68723189  0.57493947
   0.34236350  0.99357987  0.80257616
   0.49338839  0.93380100  0.64012862
   0.22178222  0.89850267  0.64531278
   0.27423292  0.67391022 -0.04393432
   0.00963144  0.67858471  0.94263756
   0.61961682  0.05303878  0.09917417
   0.84872932  0.19624048  0.23296038
   0.61793814  0.30160823  0.02215266
   0.84894536  0.45420261  0.36990482
   0.03382182  0.38114456  0.20105871
   0.77904761  0.43789266  0.15028252
   0.68389789  0.18127088  0.38448553
   0.46138656  0.15066385  0.46005747
   0.68646414  0.08453190  0.55669258
   0.89719894  0.23311786  0.81193527
   0.60099550  0.33336814  0.54460365
   0.84026839  0.48458699  0.87774841
   0.99254751  0.44340137  0.67634587
   0.72517912  0.41006599  0.70789382
   0.75406585  0.09050190  0.93789703
   0.48960910  0.09667912  0.94017291
   0.56213809  0.55319576  0.07770010
   0.88002744  0.70758753  0.27239977
   0.53279819  0.81998802  0.03766877
   0.85051584  0.96697194  0.33118445
   0.93818317  0.90377569  0.15172729
   0.68542269  0.85690513  0.19710476
   0.80454267  0.70156453  0.43673999
   0.56241358  0.59757767  0.40517776
   0.65790707  0.60393917  0.58113779
   0.82852129  0.74042570  0.81021702
   0.57397241  0.82738709  0.47386761
   0.94924403  0.97846656  0.82935685
   0.94965900  0.84692855  0.65778825
   0.73638337  0.95545226  0.72392862
   0.75479214  0.67519654  0.98328819
   0.52844788  0.65658909  0.88997517
   0.75658256  0.83681457  0.58263358
   0.48187253  0.81260525  0.50123615
   0.89640167  0.29327030  0.06117945
   0.86925531  0.39044156  0.38875452
   0.32586039  0.11955569  0.64755029
   0.24766490  0.76924469  0.74054952
   0.24938154  1.14888502  0.23279739
   0.25733860  1.07506916  0.02162687
   0.65031025  0.30085599  0.85660522
   0.90416390  0.40965731  0.67336370
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903959    0.071030   -0.265454
    -0.000000    9.915127    0.036938
    -0.000000    0.000000   13.758720
   Si   O    H 
    32    64    10
Direct configuration=  2791
   0.17367739  0.19482608 -0.01215058
   0.35535332  0.09725314  0.38184478
   0.15144378  0.44182866  0.12707687
   0.37897296  0.33379519  0.24847586
   0.07831230  0.12425614  0.48457164
   0.38773582  0.12939618  0.85502037
   0.11606897  0.36067174  0.62620214
   0.37900067  0.38829994  0.74854849
   0.13617452  0.71185228  0.01188819
   0.40343103  0.58589186  0.37272290
   0.09987362  0.93413069  0.15391256
   0.33784740  0.84717714  0.26994223
   0.15742209  0.59474285  0.49152893
   0.36634390  0.63740518  0.86218123
   0.07617875  0.85404211  0.59218835
   0.35081845  0.98821696  0.68441030
   0.62993613  0.14685297  1.00524926
   0.83491849  0.13322473  0.34449980
   0.62561133  0.40911787  0.11423223
   0.89227821  0.31742706  0.15920875
   0.61060968  0.19046394  0.48502367
   0.90703932  0.10708944  0.89297797
   0.62319859  0.45698787  0.62078372
   0.79038678  0.35693412  0.81397460
   0.59430067  0.67739966 -0.00427399
   0.89416411  0.61017776  0.36604886
   0.56308497  0.91246962  0.13121483
   0.84288187  0.86141358  0.24134882
   0.66185862  0.68476334  0.47756323
   0.86753241  0.64199122  0.90736775
   0.66222159  0.94571799  0.61452814
   0.86750778  0.87490070  0.75263368
   0.10513948  0.10108166  0.17487220
   0.33979242  0.17838379  0.27620174
   0.16365713  0.33874944  0.03162423
   0.37558936  0.42765217  0.35063342
   0.52528877  0.34696035  0.19487716
   0.29508797  0.42477676  0.17457341
   0.21612926  0.14092001  0.43464837
  -0.04349399  0.19337330  0.41671481
   0.05068354 -0.04356728  0.50141709
   0.46367537  0.24386680  0.78074696
   0.07431486  0.21655090  0.58188020
   0.34007403  0.46899448  0.84918204
   0.47293347  0.46096241  0.67143615
   0.23700590  0.34647411  0.70574726
   0.24569336  0.19829709 -0.11839689
   0.02047782  0.13779201  0.97072398
   0.12357473  0.60114705  0.10831101
   0.39811636  0.69312567  0.27940047
   0.12913644  0.86053515  0.05660143
   0.36037630  0.93242681  0.37257754
   0.41705136  0.92030201  0.17840317
   0.17747562  0.84854583  0.23550359
   0.30141082  0.63956513  0.45244022
   0.05066979  0.61958951  0.39619956
   0.16425129  0.43971044  0.52608483
   0.30994873  0.71223999  0.76687810
   0.10919227  0.68661010  0.57611659
   0.34164274  0.99397191  0.80103251
   0.49281453  0.93323306  0.63975856
   0.22373276  0.89845581  0.64622018
   0.27477424  0.67250292 -0.04401480
   0.01002981  0.68034605  0.94281375
   0.61862238  0.05580477  0.09924516
   0.84909997  0.19585191  0.23299780
   0.61901497  0.30177820  0.02268586
   0.84854933  0.45835482  0.36951535
   0.03366837  0.38136112  0.19999363
   0.77855139  0.43793375  0.15049396
   0.68454579  0.18086548  0.38426318
   0.45960788  0.15155921  0.46141168
   0.68486583  0.08334256  0.55793641
   0.89838947  0.23331729  0.81128525
   0.60136573  0.33357800  0.54333142
   0.83919332  0.48469084  0.87961998
   0.99204307  0.44361920  0.67738310
   0.72455694  0.40894338  0.70841296
   0.75311524  0.09140358  0.93907975
   0.49033795  0.09521363  0.93969281
   0.56081137  0.55043666  0.07793324
   0.88218822  0.70611359  0.27205555
   0.53465497  0.82049010  0.03858557
   0.85168519  0.96778389  0.33027639
   0.93706508  0.90587040  0.15055439
   0.68592578  0.85497861  0.19703271
   0.80278981  0.70080970  0.43656964
   0.56353999  0.59792476  0.40444471
   0.65672105  0.60301609  0.58166616
   0.82834159  0.74055303  0.81108878
   0.57316975  0.82698788  0.47367787
   0.94846228  0.98042988  0.82890517
   0.94911318  0.84865543  0.65842235
   0.73495736  0.95569296  0.72344751
   0.75435505  0.67263690  0.98322639
   0.52815521  0.65752171  0.88964593
   0.75340755  0.84030339  0.58227498
   0.47880970  0.81289705  0.50326891
   0.90164382  0.29276555  0.05845088
   0.87607930  0.32509993  0.39072587
   0.32589344  0.12136730  0.64463644
   0.24229527  0.77171627  0.73765793
   0.26567204  1.15666907  0.23802924
   0.25666699  1.07883409  0.02676189
   0.64958234  0.29603661  0.85597461
   0.90016104  0.40697816  0.67282175
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902890    0.070528   -0.266039
    -0.000000    9.914775    0.037027
    -0.000000    0.000000   13.758206
   Si   O    H 
    32    64    10
Direct configuration=  2792
   0.17416255  0.19434243 -0.01253945
   0.35535636  0.09493453  0.38313277
   0.15223878  0.44128763  0.12764609
   0.37954915  0.33476172  0.24898481
   0.07850024  0.12353306  0.48341793
   0.38895476  0.12977142  0.85419373
   0.11586680  0.36138264  0.62566585
   0.37868595  0.38727830  0.74787125
   0.13622889  0.71182597  0.01166053
   0.40379695  0.58604307  0.37265902
   0.10002257  0.93366989  0.15426923
   0.33792367  0.84728686  0.27023601
   0.15678580  0.59498715  0.49017599
   0.36690775  0.63775687  0.86123549
   0.07613314  0.85318329  0.59159315
   0.35058110  0.98892274  0.68432898
   0.62799435  0.14684377  1.00527241
   0.83304738  0.13338489  0.34480182
   0.62611723  0.41007774  0.11440684
   0.89242834  0.31780981  0.15923115
   0.60942881  0.18895824  0.48451569
   0.90654336  0.10691161  0.89347498
   0.62255102  0.45717793  0.62084698
   0.79090318  0.35506904  0.81378776
   0.59434217  0.67756412 -0.00457844
   0.89415499  0.61095809  0.36524861
   0.56422161  0.91162618  0.13102550
   0.84298483  0.86149739  0.24215476
   0.66101406  0.68333801  0.47825493
   0.86708513  0.64183643  0.90683835
   0.66067253  0.94503944  0.61491396
   0.86815515  0.87632127  0.75268171
   0.10398434  0.10104693  0.17509387
   0.34108789  0.17915143  0.27628604
   0.16430625  0.34060334  0.03265730
   0.37629428  0.42760711  0.34947870
   0.52606428  0.34512201  0.19475062
   0.29611696  0.42620042  0.17432830
   0.21438957  0.14028691  0.43523853
  -0.04345670  0.19174456  0.41577856
   0.05055198 -0.04147412  0.50106275
   0.46472115  0.24321588  0.78105281
   0.07382401  0.21651464  0.58183035
   0.33927378  0.46905780  0.84926782
   0.47134801  0.46196889  0.67265155
   0.23725990  0.34577375  0.70467411
   0.24448744  0.19893817 -0.11783645
   0.01815652  0.13915384  0.97198087
   0.12221566  0.60109323  0.10879678
   0.39622091  0.69119658  0.27864677
   0.12952163  0.86066876  0.05544979
   0.36047651  0.93334380  0.37326510
   0.41741312  0.92214544  0.17928337
   0.17851491  0.84687491  0.23611101
   0.30115379  0.64086205  0.45220015
   0.05136972  0.61946169  0.39711879
   0.16412841  0.44092857  0.52589233
   0.31202762  0.71323671  0.76659796
   0.10777852  0.68672201  0.57742930
   0.34201136  0.99391561  0.79930725
   0.49299377  0.93307852  0.63861620
   0.22546105  0.89700974  0.64702949
   0.27527265  0.67164697 -0.04396279
   0.01054488  0.68205606  0.94225845
   0.61732738  0.05827108  0.09914682
   0.84852850  0.19525792  0.23316914
   0.61985910  0.30238771  0.02319320
   0.84721727  0.46072337  0.36890279
   0.03370521  0.38145081  0.19876211
   0.77834691  0.43743576  0.15101328
   0.68543996  0.18061649  0.38429150
   0.45771323  0.15208110  0.46266198
   0.68365443  0.08310942  0.55890959
   0.89886194  0.23322802  0.81092986
   0.60173089  0.33312608  0.54159183
   0.83836732  0.48466290  0.88140232
   0.99180000  0.44398829  0.67818128
   0.72441470  0.40751754  0.70834302
   0.75304140  0.09180731  0.93958319
   0.49144804  0.09464912  0.94016112
   0.55927739  0.54893459  0.07778567
   0.88383903  0.70542658  0.27107455
   0.53622387  0.82139080  0.03950585
   0.85213510  0.96915270  0.32961322
   0.93537000  0.90707120  0.15009325
   0.68645442  0.85321868  0.19686579
   0.80255189  0.70006788  0.43624996
   0.56456995  0.59835439  0.40337945
   0.65580773  0.60260608  0.58161527
   0.82783891  0.74055105  0.81193929
   0.57172697  0.82641659  0.47335183
   0.94675747  0.98197771  0.82843789
   0.94848899  0.84955857  0.65828474
   0.73292255  0.95635229  0.72297705
   0.75321713  0.67042427  0.98306245
   0.52751386  0.65809770  0.88929142
   0.74858591  0.84099497  0.58236859
   0.48333071  0.81422279  0.50279233
   0.90984684  0.28661260  0.05228460
   0.88347737  0.28070364  0.39165568
   0.33178633  0.12123002  0.64188582
   0.23646270  0.77491845  0.73341771
   0.26140170  1.15700389  0.23186476
   0.25392135  1.08097375  0.03413095
   0.65730023  0.29652990  0.85494765
   0.89792846  0.40690708  0.67214767
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901898    0.069926   -0.265943
    -0.000000    9.914365    0.037253
    -0.000000    0.000000   13.757579
   Si   O    H 
    32    64    10
Direct configuration=  2793
   0.17460851  0.19391691 -0.01253448
   0.35515613  0.09290910  0.38441710
   0.15271400  0.44053339  0.12803630
   0.38072475  0.33598822  0.24903362
   0.07817674  0.12265641  0.48263026
   0.38934493  0.13017811  0.85356016
   0.11576531  0.36252828  0.62569261
   0.37802485  0.38610687  0.74744667
   0.13645220  0.71139499  0.01151667
   0.40428748  0.58636694  0.37281406
   0.09939821  0.93369138  0.15428871
   0.33792038  0.84714332  0.27057079
   0.15619528  0.59517056  0.48905823
   0.36696068  0.63800797  0.86020422
   0.07651252  0.85215515  0.59088263
   0.35014131  0.98950270  0.68381290
   0.62677432  0.14689666  1.00495953
   0.83069980  0.13391266  0.34473995
   0.62625385  0.41089616  0.11424555
   0.89236622  0.31789967  0.15936419
   0.60799418  0.18770041  0.48416561
   0.90594983  0.10729025  0.89415657
   0.62120370  0.45708734  0.62077762
   0.79118400  0.35331914  0.81383425
   0.59424669  0.67712647 -0.00419415
   0.89449042  0.61171436  0.36471700
   0.56501737  0.91115118  0.13072595
   0.84353128  0.86160437  0.24295337
   0.65985124  0.68209082  0.47884388
   0.86607081  0.64085694  0.90629743
   0.65929138  0.94455793  0.61583541
   0.86882113  0.87752535  0.75326469
   0.10326815  0.10053378  0.17540693
   0.34236197  0.17954601  0.27576662
   0.16562175  0.34265622  0.03366344
   0.37726599  0.42645538  0.34784622
   0.52628167  0.34352406  0.19481003
   0.29821109  0.42824099  0.17436425
   0.21381783  0.14068555  0.43571138
  -0.04350601  0.18883296  0.41484181
   0.05090664 -0.03888609  0.50122035
   0.46470976  0.24303766  0.78120718
   0.07366080  0.21609527  0.58160787
   0.33968527  0.46938683  0.84872397
   0.47085192  0.46331968  0.67295676
   0.23749445  0.34472137  0.70322068
   0.24341964  0.19950893 -0.11760429
   0.01638266  0.14037794  0.97350499
   0.12090171  0.60135048  0.10881305
   0.39469321  0.68920161  0.27746346
   0.13013906  0.86138648  0.05399144
   0.36041602  0.93446898  0.37297932
   0.41760401  0.92355115  0.18031768
   0.17949651  0.84531733  0.23697809
   0.30163891  0.64249186  0.45190812
   0.05237228  0.61885359  0.39780234
   0.16368218  0.44231570  0.52593622
   0.31379406  0.71402207  0.76622845
   0.10544341  0.68749460  0.57925423
   0.34266756  0.99437400  0.79806749
   0.49365563  0.93297061  0.63746251
   0.22678564  0.89574189  0.64755777
   0.27618288  0.67078033 -0.04319781
   0.01096045  0.68363883  0.94166914
   0.61675481  0.06092278  0.10010727
   0.84766500  0.19475382  0.23264893
   0.61980523  0.30358169  0.02369241
   0.84582181  0.46204736  0.36827065
   0.03374430  0.38236911  0.19700234
   0.77842312  0.43778890  0.15121801
   0.68731275  0.18070462  0.38426316
   0.45595946  0.15275223  0.46333942
   0.68255900  0.08202704  0.55965735
   0.90006480  0.23287112  0.81109436
   0.60310257  0.33252498  0.53996685
   0.83709571  0.48427165  0.88290985
   0.99151015  0.44386600  0.67887381
   0.72465428  0.40638440  0.70804964
   0.75266913  0.09161071  0.94050282
   0.49221037  0.09375828  0.94087891
   0.55786511  0.54686779  0.07721109
   0.88533548  0.70534968  0.26933906
   0.53799790  0.82182017  0.03967351
   0.85266369  0.97134666  0.32906625
   0.93312963  0.90801924  0.14985867
   0.68672260  0.85199591  0.19724739
   0.80293519  0.70010203  0.43595228
   0.56477440  0.59864066  0.40292361
   0.65604202  0.60152337  0.58206210
   0.82794404  0.73970241  0.81253172
   0.57125601  0.82665567  0.47291666
   0.94517795  0.98260597  0.82805517
   0.94784516  0.85013615  0.65827956
   0.73160151  0.95607009  0.72205826
   0.75176080  0.66842085  0.98361242
   0.52679499  0.65978048  0.88815313
   0.74513762  0.83976339  0.57946982
   0.48477905  0.81545610  0.50106271
   0.91769382  0.28054720  0.04953247
   0.89162239  0.25779841  0.39723403
   0.33755409  0.12564790  0.64055920
   0.24230995  0.77509187  0.73375361
   0.24582889  1.15054904  0.21877452
   0.24998867  1.08662588  0.04212005
   0.66771052  0.30198257  0.85203201
   0.89950750  0.40680365  0.67323415
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901002    0.069616   -0.265669
    -0.000000    9.914181    0.037335
    -0.000000    0.000000   13.756743
   Si   O    H 
    32    64    10
Direct configuration=  2794
   0.17437676  0.19352899 -0.01225073
   0.35488096  0.09154802  0.38535609
   0.15257232  0.43963257  0.12848518
   0.38252807  0.33718000  0.24878322
   0.07758937  0.12195321  0.48228618
   0.38952894  0.13154386  0.85256680
   0.11569380  0.36368654  0.62614125
   0.37721015  0.38472407  0.74761289
   0.13750801  0.71090331  0.01119219
   0.40463387  0.58681373  0.37236330
   0.09870365  0.93413040  0.15411957
   0.33802573  0.84773636  0.27084560
   0.15525672  0.59560425  0.48759323
   0.36678642  0.63797152  0.85909420
   0.07804639  0.85087558  0.59005432
   0.34974767  0.98989594  0.68292034
   0.62546526  0.14652610  1.00454591
   0.82816020  0.13388032  0.34406151
   0.62658980  0.41124107  0.11457299
   0.89270530  0.31761469  0.15919517
   0.60685013  0.18574366  0.48414004
   0.90515788  0.10767301  0.89494209
   0.61908270  0.45686835  0.62043341
   0.79142112  0.35243332  0.81372348
   0.59364816  0.67677826 -0.00363318
   0.89439021  0.61172463  0.36428019
   0.56589193  0.91139157  0.13060515
   0.84337294  0.86158074  0.24338373
   0.65842709  0.68074994  0.47896489
   0.86524471  0.63968289  0.90584073
   0.65762537  0.94458141  0.61659775
   0.86914875  0.87859804  0.75456919
   0.10350188  0.10061561  0.17561376
   0.34401791  0.17927802  0.27514290
   0.16681671  0.34530432  0.03468565
   0.37856929  0.42528046  0.34717014
   0.52637372  0.34261459  0.19504316
   0.30095685  0.42957992  0.17406202
   0.21402989  0.14091512  0.43554124
  -0.04360179  0.18614181  0.41330390
   0.05048584 -0.03596225  0.50188968
   0.46399459  0.24393918  0.78113530
   0.07291393  0.21500402  0.58077910
   0.34049982  0.47045615  0.84726824
   0.46998342  0.46480823  0.67291117
   0.23763340  0.34434738  0.70242556
   0.24198610  0.20051840 -0.11773023
   0.01539193  0.14185012  0.97503665
   0.11987101  0.60144744  0.10882516
   0.39353483  0.68767508  0.27683395
   0.13108376  0.86169966  0.05232401
   0.35999535  0.93503113  0.37218464
   0.41711052  0.92481593  0.18179348
   0.18072956  0.84454368  0.23785028
   0.30229856  0.64354503  0.45153720
   0.05404047  0.61788253  0.39849792
   0.16328781  0.44299211  0.52569588
   0.31442930  0.71483469  0.76590678
   0.10298037  0.68837591  0.58028445
   0.34330876  0.99443878  0.79734231
   0.49390329  0.93222423  0.63662706
   0.22768749  0.89473939  0.64721678
   0.27668143  0.67032089 -0.04285264
   0.01206591  0.68539392  0.94092055
   0.61622880  0.06266180  0.10146968
   0.84777641  0.19397942  0.23292007
   0.61944490  0.30466475  0.02362757
   0.84402494  0.46236874  0.36773120
   0.03375506  0.38311764  0.19517699
   0.77862119  0.43862974  0.15138080
   0.68919975  0.18154053  0.38374182
   0.45489033  0.15393522  0.46336779
   0.68129635  0.08140453  0.55965505
   0.90067104  0.23275037  0.81097375
   0.60482197  0.33225733  0.53855034
   0.83586463  0.48295512  0.88430212
   0.99131002  0.44375857  0.67937494
   0.72435675  0.40542409  0.70778238
   0.75260469  0.09153063  0.94130071
   0.49315752  0.09306550  0.94159142
   0.55629964  0.54545018  0.07639458
   0.88680332  0.70584164  0.26739013
   0.53881667  0.82120037  0.03972707
   0.85314375  0.97311863  0.32848633
   0.93146359  0.90850882  0.14968408
   0.68757897  0.85085620  0.19773991
   0.80330801  0.70077774  0.43563101
   0.56405419  0.59879530  0.40225287
   0.65688335  0.60011802  0.58174443
   0.82873934  0.73917194  0.81225263
   0.57128361  0.82674614  0.47260236
   0.94399321  0.98334141  0.82768106
   0.94773920  0.85013334  0.65750651
   0.72987465  0.95549969  0.72099258
   0.75058282  0.66724946  0.98422157
   0.52622294  0.66132635  0.88718447
   0.74494644  0.83395740  0.57579375
   0.48354650  0.81516186  0.49857523
   0.92493287  0.27501538  0.05171086
   0.89841131  0.26512912  0.40635943
   0.34187645  0.13188590  0.63883357
   0.25500939  0.77220597  0.73483521
   0.22710675  1.13859553  0.20379788
   0.24669327  1.09191843  0.04936847
   0.67377949  0.30840174  0.84884600
   0.90318258  0.40920304  0.67385612
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899963    0.069168   -0.264196
    -0.000000    9.913969    0.037446
    -0.000000    0.000000   13.755753
   Si   O    H 
    32    64    10
Direct configuration=  2795
   0.17410372  0.19337478 -0.01193614
   0.35502869  0.09010770  0.38630523
   0.15322590  0.43940150  0.12880631
   0.38448784  0.33801488  0.24865221
   0.07684590  0.12162495  0.48224186
   0.38964758  0.13324709  0.85179934
   0.11537612  0.36445867  0.62657564
   0.37710960  0.38384180  0.74809995
   0.13885176  0.71073546  0.01105763
   0.40466769  0.58711296  0.37151397
   0.09775605  0.93441690  0.15371831
   0.33880397  0.84797279  0.27049529
   0.15495890  0.59570168  0.48631521
   0.36680961  0.63796893  0.85827637
   0.07975918  0.84904703  0.58957355
   0.34962091  0.99000534  0.68189051
   0.62410176  0.14599049  1.00324369
   0.82540208  0.13320600  0.34284525
   0.62720231  0.41150505  0.11516230
   0.89284897  0.31759845  0.15875816
   0.60578135  0.18388515  0.48434138
   0.90380701  0.10769813  0.89527743
   0.61713009  0.45661744  0.62010276
   0.79126458  0.35149352  0.81423015
   0.59300290  0.67606473 -0.00307680
   0.89462214  0.61146713  0.36356581
   0.56741355  0.91239026  0.13060237
   0.84327657  0.86164950  0.24332225
   0.65682625  0.67906752  0.47888328
   0.86462738  0.63865457  0.90538763
   0.65693362  0.94453874  0.61747734
   0.87002032  0.87960902  0.75600604
   0.10406386  0.10008307  0.17562527
   0.34550843  0.17934069  0.27435130
   0.16698577  0.34786100  0.03566315
   0.37948110  0.42464662  0.34710945
   0.52621243  0.34103599  0.19549165
   0.30276159  0.43043532  0.17412213
   0.21571560  0.14068192  0.43494210
  -0.04393085  0.18327474  0.41170413
   0.05035380 -0.03399332  0.50228935
   0.46306531  0.24466607  0.78069479
   0.07277282  0.21418005  0.58000342
   0.34108659  0.47162213  0.84585099
   0.46928176  0.46616116  0.67257175
   0.23752145  0.34428859  0.70196293
   0.24058816  0.20161924 -0.11779070
   0.01473393  0.14372894  0.97643847
   0.11879819  0.60144485  0.10869599
   0.39156600  0.68725277  0.27588732
   0.13263301  0.86315094  0.05028413
   0.35926911  0.93461193  0.37118017
   0.41607207  0.92566783  0.18377611
   0.18126251  0.84392523  0.23908515
   0.30311405  0.64574463  0.45162488
   0.05548300  0.61765085  0.39927190
   0.16371954  0.44370330  0.52549328
   0.31536388  0.71528689  0.76561477
   0.10061470  0.68937880  0.58088976
   0.34370815  0.99482785  0.79683490
   0.49483851  0.93091086  0.63586092
   0.22755249  0.89434752  0.64687626
   0.27701972  0.67030413 -0.04322138
   0.01311010  0.68678878  0.94043360
   0.61528332  0.06426305  0.10264648
   0.84751637  0.19216320  0.23361952
   0.61907688  0.30508081  0.02390871
   0.84215920  0.46191873  0.36673995
   0.03419645  0.38392383  0.19391360
   0.77859498  0.43931284  0.15140641
   0.69014849  0.18283222  0.38384104
   0.45365320  0.15481654  0.46326583
   0.68029204  0.08138532  0.55913338
   0.90048863  0.23314169  0.81116563
   0.60642454  0.33302115  0.53752199
   0.83484760  0.48113592  0.88555433
   0.99219557  0.44336733  0.67956919
   0.72493351  0.40453239  0.70773539
   0.75349281  0.09117798  0.94257585
   0.49419088  0.09280167  0.94239096
   0.55466561  0.54490800  0.07465934
   0.88782580  0.70652652  0.26607504
   0.53951932  0.81951416  0.04009627
   0.85353738  0.97603280  0.32755159
   0.93000687  0.90948677  0.15033894
   0.68784423  0.85002512  0.19809867
   0.80337131  0.70087553  0.43574480
   0.56388259  0.59839147  0.40212982
   0.65724979  0.59884748  0.58106172
   0.82974506  0.73808049  0.81189055
   0.57209899  0.82600176  0.47258542
   0.94344262  0.98413355  0.82721069
   0.94685505  0.85043145  0.65591124
   0.72741160  0.95489494  0.72058760
   0.74991256  0.66602114  0.98445013
   0.52588516  0.66166791  0.88639881
   0.74547567  0.83121839  0.57231231
   0.47710556  0.81685744  0.49644664
   0.92529371  0.27423220  0.05916302
   0.91057930  0.29197182  0.42220673
   0.34468012  0.13306489  0.63625123
   0.25547186  0.77826340  0.72894982
   0.20159998  1.12349824  0.19095598
   0.24350225  1.09589216  0.05701931
   0.66930132  0.31406104  0.84947279
   0.89653636  0.41110645  0.67540061
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899541    0.069094   -0.263134
    -0.000000    9.913685    0.038287
    -0.000000    0.000000   13.754692
   Si   O    H 
    32    64    10
Direct configuration=  2796
   0.17441708  0.19337110 -0.01163375
   0.35453722  0.08934682  0.38706129
   0.15354868  0.43926638  0.12896709
   0.38680530  0.33798552  0.24808021
   0.07612107  0.12102214  0.48280500
   0.38939867  0.13440543  0.85143308
   0.11469306  0.36522344  0.62717403
   0.37747355  0.38327003  0.74877588
   0.14054900  0.71006910  0.01107444
   0.40501313  0.58744490  0.37084920
   0.09693286  0.93518135  0.15315945
   0.34013022  0.84758474  0.26989531
   0.15404958  0.59605372  0.48513162
   0.36630936  0.63770469  0.85764039
   0.08176577  0.84770487  0.58913247
   0.35038977  0.99046470  0.68096177
   0.62297349  0.14529270  1.00208443
   0.82383249  0.13285272  0.34153157
   0.62747326  0.41155421  0.11521037
   0.89345230  0.31723794  0.15848713
   0.60545491  0.18326011  0.48492034
   0.90221270  0.10792383  0.89571950
   0.61525704  0.45577797  0.61998691
   0.79107161  0.35118002  0.81460468
   0.59218208  0.67450596 -0.00258184
   0.89531841  0.61119975  0.36317042
   0.56931092  0.91334498  0.13071550
   0.84309804  0.86139525  0.24294630
   0.65503022  0.67800717  0.47855656
   0.86332537  0.63789021  0.90510987
   0.65599588  0.94463061  0.61851309
   0.87042133  0.88067242  0.75704943
   0.10434865  0.09986962  0.17522191
   0.34675151  0.17957325  0.27377143
   0.16693062  0.35018982  0.03630059
   0.38006034  0.42428127  0.34761090
   0.52626055  0.33997546  0.19598312
   0.30411577  0.43087514  0.17433995
   0.21720571  0.13994433  0.43403784
  -0.04469015  0.18142678  0.41015095
   0.05028985 -0.03273955  0.50325811
   0.46123277  0.24497780  0.77996858
   0.07276628  0.21250582  0.57918482
   0.34170492  0.47312342  0.84506187
   0.46931154  0.46728174  0.67210388
   0.23735291  0.34389214  0.70164988
   0.23939480  0.20366022 -0.11792150
   0.01413066  0.14558957  0.97711025
   0.11801026  0.60137552  0.10810800
   0.38910405  0.68714603  0.27517965
   0.13438477  0.86498253  0.04834559
   0.35874706  0.93403910  0.36930916
   0.41564637  0.92630209  0.18529957
   0.18183254  0.84432414  0.23947780
   0.30410767  0.64789915  0.45194332
   0.05637816  0.61783529  0.39994542
   0.16452293  0.44394844  0.52461627
   0.31601649  0.71525627  0.76550773
   0.09955089  0.69013522  0.58098271
   0.34459119  0.99533710  0.79704627
   0.49587185  0.92960663  0.63480624
   0.22666020  0.89323488  0.64632457
   0.27800559  0.67044216 -0.04303941
   0.01400114  0.68809457  0.94003564
   0.61431689  0.06456997  0.10410037
   0.84833165  0.19034961  0.23426654
   0.61882240  0.30472086  0.02428103
   0.84060596  0.46086524  0.36556827
   0.03415432  0.38438059  0.19350278
   0.77832128  0.43975211  0.15124190
   0.69131908  0.18310140  0.38401029
   0.45176698  0.15469454  0.46337558
   0.67958608  0.08088749  0.55825919
   0.90061189  0.23308932  0.81162085
   0.60855683  0.33295743  0.53678896
   0.83394910  0.47940522  0.88662778
   0.99237082  0.44340443  0.67996398
   0.72605838  0.40391481  0.70745996
   0.75446622  0.09083411  0.94376589
   0.49466669  0.09249062  0.94287740
   0.55262921  0.54534076  0.07268747
   0.88856400  0.70649721  0.26451749
   0.54101027  0.81750832  0.04037557
   0.85404926  0.97834485  0.32659556
   0.92903323  0.91122889  0.15115040
   0.68767094  0.84884610  0.19849055
   0.80322167  0.70176881  0.43585826
   0.56363291  0.59837616  0.40163617
   0.65750961  0.59798773  0.58056980
   0.83021232  0.73689816  0.81156954
   0.57223188  0.82524664  0.47280140
   0.94331131  0.98471109  0.82671169
   0.94611169  0.85102461  0.65429158
   0.72550486  0.95451872  0.72105638
   0.75005388  0.66513117  0.98476099
   0.52528236  0.66202850  0.88602244
   0.74727703  0.83266857  0.57116962
   0.47257789  0.81890775  0.49364873
   0.92062892  0.27390619  0.06778647
   0.92459029  0.32332435  0.43495748
   0.34889164  0.12801122  0.63713771
   0.25500602  0.78284868  0.72711100
   0.17788819  1.10982968  0.17993257
   0.23925745  1.10334635  0.06095321
   0.65793446  0.31252256  0.85493256
   0.89174318  0.41572158  0.67565188
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899542    0.069357   -0.261318
    -0.000000    9.913737    0.039191
    -0.000000    0.000000   13.753878
   Si   O    H 
    32    64    10
Direct configuration=  2797
   0.17416582  0.19389949 -0.01148698
   0.35369196  0.08910505  0.38737514
   0.15401858  0.43967558  0.12919493
   0.38929059  0.33774063  0.24800662
   0.07521762  0.12105414  0.48308993
   0.38876388  0.13592128  0.85103468
   0.11366534  0.36585465  0.62750477
   0.37826122  0.38304083  0.74958362
   0.14271085  0.70910076  0.01149752
   0.40537080  0.58792237  0.37013134
   0.09615643  0.93567848  0.15302253
   0.34182774  0.84699117  0.26923650
   0.15372773  0.59617461  0.48428156
   0.36570983  0.63688113  0.85773011
   0.08396636  0.84672604  0.58886699
   0.35120728  0.99105631  0.67960388
   0.62187935  0.14483732  1.00096148
   0.82292003  0.13285289  0.34020667
   0.62759769  0.41136877  0.11527786
   0.89467353  0.31693873  0.15878666
   0.60541228  0.18284395  0.48519404
   0.90067061  0.10889817  0.89629936
   0.61377957  0.45417777  0.61979195
   0.78972175  0.35103934  0.81485858
   0.59147353  0.67248254 -0.00234396
   0.89559040  0.61125760  0.36270775
   0.57057019  0.91473814  0.13134530
   0.84258260  0.86108103  0.24225802
   0.65338386  0.67728945  0.47824553
   0.86160932  0.63708600  0.90476728
   0.65543128  0.94383211  0.61968511
   0.87061487  0.88098953  0.75751339
   0.10140111  0.09880418  0.17523250
   0.34780695  0.17971266  0.27406838
   0.16654929  0.35158204  0.03616376
   0.38033020  0.42446680  0.34791418
   0.52722180  0.34009953  0.19670883
   0.30474170  0.43197439  0.17496893
   0.21871189  0.13927485  0.43236615
  -0.04487837  0.18078002  0.40837498
   0.05058538 -0.03228730  0.50372570
   0.45965140  0.24557142  0.77918127
   0.07225042  0.21191130  0.57880517
   0.34195053  0.47491809  0.84486365
   0.46933986  0.46795365  0.67131519
   0.23659066  0.34338617  0.70118634
   0.23847598  0.20554804 -0.11805650
   0.01426015  0.14687680  0.97793108
   0.11804298  0.60097876  0.10688183
   0.38677571  0.68779931  0.27440392
   0.13680521  0.86665778  0.04676130
   0.35882969  0.93319581  0.36756811
   0.41566836  0.92668060  0.18636027
   0.18171002  0.84479982  0.23942351
   0.30437207  0.65004697  0.45219375
   0.05664565  0.61852194  0.40016744
   0.16518257  0.44399492  0.52396384
   0.31685728  0.71556163  0.76533427
   0.09938657  0.69099780  0.58092667
   0.34551046  0.99682529  0.79693907
   0.49605865  0.92814212  0.63363731
   0.22587115  0.89166283  0.64578579
   0.27879596  0.67050034 -0.04272364
   0.01479769  0.68963066  0.93921290
   0.61282429  0.06464251  0.10541079
   0.84921960  0.18941556  0.23441699
   0.61944973  0.30507733  0.02459981
   0.83912543  0.45952042  0.36417558
   0.03393743  0.38510320  0.19311449
   0.77856086  0.43975109  0.15126900
   0.69187432  0.18359433  0.38470742
   0.44984891  0.15470404  0.46362701
   0.67940637  0.08143546  0.55689570
   0.90133074  0.23306609  0.81213188
   0.61078213  0.33288218  0.53615452
   0.83345194  0.47837232  0.88761928
   0.99245738  0.44334335  0.68055337
   0.72704273  0.40356986  0.70743537
   0.75563686  0.09160661  0.94461295
   0.49502135  0.09191953  0.94334550
   0.55059379  0.54653193  0.07042490
   0.88930385  0.70614079  0.26296193
   0.54263204  0.81495627  0.04046206
   0.85421614  0.97970629  0.32574316
   0.92906752  0.91199123  0.15210756
   0.68731251  0.84804941  0.19918577
   0.80383664  0.70237183  0.43624799
   0.56366281  0.59789376  0.40081936
   0.65808732  0.59724925  0.58025736
   0.83041620  0.73614849  0.81097317
   0.57127243  0.82521329  0.47355024
   0.94440998  0.98557166  0.82626292
   0.94545001  0.85238850  0.65267452
   0.72451162  0.95410631  0.72153944
   0.75073320  0.66432544  0.98533631
   0.52492935  0.66169433  0.88557740
   0.74688736  0.83842732  0.57460679
   0.47512864  0.81876785  0.48911755
   0.91241170  0.27196044  0.07023707
   0.93272464  0.35045614  0.44076619
   0.35059698  0.12378832  0.63589841
   0.25879587  0.77996740  0.72978651
   0.22943127  1.11297350  0.17508268
   0.23625303  1.11010029  0.06361438
   0.65054124  0.31245331  0.85960631
   0.89518870  0.42175740  0.67484522
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899863    0.069806   -0.259169
    -0.000000    9.913716    0.039944
    -0.000000    0.000000   13.753059
   Si   O    H 
    32    64    10
Direct configuration=  2798
   0.17328877  0.19474634 -0.01133507
   0.35262358  0.08964859  0.38769181
   0.15478317  0.43979651  0.12931365
   0.39158794  0.33698388  0.24845985
   0.07405711  0.12164152  0.48331753
   0.38759216  0.13751105  0.85088890
   0.11309831  0.36625829  0.62765198
   0.37924964  0.38320439  0.75030529
   0.14477170  0.70786177  0.01204419
   0.40569937  0.58828993  0.36915507
   0.09529096  0.93611350  0.15310729
   0.34332778  0.84583970  0.26858519
   0.15332363  0.59651263  0.48422771
   0.36516180  0.63599699  0.85833811
   0.08564185  0.84670260  0.58901174
   0.35159246  0.99117238  0.67812656
   0.62113323  0.14396265  1.00004101
   0.82270042  0.13264074  0.33887176
   0.62742730  0.41066199  0.11512607
   0.89561651  0.31586901  0.15988984
   0.60541074  0.18290551  0.48549526
   0.89979853  0.11033399  0.89710117
   0.61278714  0.45174460  0.61956046
   0.78747590  0.35062348  0.81464364
   0.59088620  0.67085555 -0.00222085
   0.89557697  0.61143135  0.36236646
   0.57131512  0.91623165  0.13174800
   0.84176404  0.86002644  0.24146460
   0.65137825  0.67685726  0.47808108
   0.86056950  0.63669197  0.90432836
   0.65554568  0.94241495  0.62027224
   0.87087538  0.88155307  0.75783023
   0.10027761  0.09861669  0.17518378
   0.34921252  0.17987043  0.27432704
   0.16557206  0.35243821  0.03573812
   0.38142160  0.42483162  0.34828205
   0.52832765  0.33956830  0.19696488
   0.30536122  0.43358643  0.17572139
   0.21987946  0.13874586  0.43070661
  -0.04509785  0.18121704  0.40670779
   0.05158277 -0.03276565  0.50440307
   0.45866597  0.24581799  0.77898499
   0.07245592  0.21198885  0.57858615
   0.34273818  0.47620662  0.84432978
   0.46894255  0.46904473  0.67039056
   0.23646916  0.34298141  0.70057298
   0.23826550  0.20712674 -0.11834752
   0.01427651  0.14828748  0.97814417
   0.11802834  0.60083472  0.10608791
   0.38391717  0.68852290  0.27388848
   0.13878245  0.86775104  0.04491346
   0.35898914  0.93210936  0.36629951
   0.41641807  0.92721493  0.18756397
   0.18091095  0.84484828  0.23928741
   0.30409725  0.65154352  0.45197324
   0.05655776  0.61943508  0.39978071
   0.16529201  0.44391872  0.52367646
   0.31767697  0.71641614  0.76528771
   0.09894371  0.69173032  0.58098555
   0.34691109  0.99860184  0.79677018
   0.49526988  0.92732525  0.63299433
   0.22578135  0.89100907  0.64480645
   0.27942985  0.66964025 -0.04276167
   0.01452716  0.69073937  0.93804778
   0.61121768  0.06447911  0.10692594
   0.85034226  0.18890216  0.23429900
   0.62044372  0.30527154  0.02504066
   0.83783235  0.45798759  0.36435039
   0.03315685  0.38595786  0.19293489
   0.77911870  0.43957645  0.15174043
   0.69194862  0.18425963  0.38545598
   0.44875109  0.15441480  0.46360268
   0.67846606  0.08234745  0.55554482
   0.90156105  0.23268557  0.81282906
   0.61266587  0.33183128  0.53626897
   0.83399590  0.47754271  0.88780136
   0.99218298  0.44371948  0.68125616
   0.72787340  0.40356618  0.70698201
   0.75614054  0.09205913  0.94566829
   0.49431298  0.09158257  0.94321203
   0.54866851  0.54784460  0.06893446
   0.88989044  0.70649849  0.26144280
   0.54421677  0.81174839  0.04074402
   0.85384931  0.97995746  0.32563850
   0.93032827  0.91191749  0.15315036
   0.68638134  0.84776728  0.20035534
   0.80438824  0.70357970  0.43737867
   0.56375776  0.59575257  0.39981913
   0.65907780  0.59647934  0.57962053
   0.83047119  0.73612668  0.81054925
   0.56972996  0.82511116  0.47443225
   0.94578927  0.98657000  0.82638295
   0.94513386  0.85407178  0.65118687
   0.72450111  0.95398252  0.72221038
   0.75264031  0.66408877  0.98616149
   0.52456624  0.66063322  0.88530116
   0.74268364  0.84375632  0.58219099
   0.47940413  0.82061516  0.48629571
   0.90206363  0.26941219  0.06326182
   0.93161669  0.37439561  0.43546907
   0.35146357  0.12245598  0.63570109
   0.26577467  0.77990860  0.73372886
   0.26496337  1.11834050  0.17520742
   0.23908525  1.11454310  0.06238395
   0.65060687  0.31321072  0.86537246
   0.89908393  0.42863245  0.67299776
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900745    0.069693   -0.257405
    -0.000000    9.913977    0.040998
    -0.000000    0.000000   13.752253
   Si   O    H 
    32    64    10
Direct configuration=  2799
   0.17189079  0.19629144 -0.01093299
   0.35124619  0.09111871  0.38770370
   0.15547900  0.44024854  0.12969804
   0.39326598  0.33626734  0.24900974
   0.07304522  0.12273323  0.48318079
   0.38667201  0.13893535  0.85022959
   0.11290952  0.36630519  0.62734119
   0.38055473  0.38405160  0.75133465
   0.14660963  0.70695723  0.01241200
   0.40600042  0.58821122  0.36794839
   0.09448156  0.93595420  0.15283325
   0.34454489  0.84482433  0.26851405
   0.15345920  0.59692165  0.48424827
   0.36415409  0.63540009  0.85921328
   0.08686342  0.84715294  0.58900187
   0.35209377  0.99109705  0.67681715
   0.62096470  0.14288108  0.99971460
   0.82312398  0.13208362  0.33765573
   0.62731518  0.41000563  0.11545446
   0.89617017  0.31514289  0.16088934
   0.60582310  0.18307272  0.48545102
   0.89916921  0.11214485  0.89811871
   0.61239663  0.44939214  0.61941687
   0.78547119  0.35047836  0.81489388
   0.59073313  0.66923216 -0.00232889
   0.89486724  0.61152373  0.36203756
   0.57191043  0.91726085  0.13251398
   0.84098296  0.85905014  0.24049338
   0.64973760  0.67650992  0.47849636
   0.85962311  0.63709835  0.90362631
   0.65560205  0.94121893  0.62050857
   0.87118040  0.88181454  0.75783142
   0.10064266  0.09808434  0.17417067
   0.35089149  0.18042418  0.27469358
   0.16454093  0.35277617  0.03498137
   0.38156772  0.42500281  0.34848284
   0.53058684  0.33880380  0.19686716
   0.30497548  0.43474753  0.17611961
   0.22038170  0.13760757  0.42897114
  -0.04538343  0.18187078  0.40563095
   0.05192706 -0.03446005  0.50512847
   0.45727087  0.24608905  0.77885085
   0.07235033  0.21268323  0.57870997
   0.34375654  0.47681374  0.84355141
   0.46777324  0.46944713  0.66944052
   0.23693425  0.34192512  0.70027777
   0.23883244  0.20790326 -0.11796135
   0.01408559  0.14840644  0.97829812
   0.11756293  0.60125025  0.10587902
   0.38189217  0.68930752  0.27340162
   0.14086639  0.86888667  0.04303437
   0.35898386  0.93103884  0.36498407
   0.41833297  0.92801802  0.18816002
   0.18036999  0.84460596  0.23913312
   0.30360765  0.65252910  0.45231256
   0.05606369  0.62003606  0.39893824
   0.16580339  0.44456681  0.52300495
   0.31942265  0.71646916  0.76586360
   0.09913302  0.69194453  0.58044136
   0.34890324  1.00115935  0.79647171
   0.49348464  0.92614428  0.63251003
   0.22484495  0.88994957  0.64391735
   0.28082035  0.66891411 -0.04283596
   0.01348681  0.69124974  0.93754864
   0.60999628  0.06430365  0.10800125
   0.85113626  0.18902398  0.23382921
   0.62211833  0.30494867  0.02476556
   0.83703254  0.45575725  0.36488195
   0.03260890  0.38665899  0.19307208
   0.77930155  0.43940241  0.15242822
   0.69173579  0.18503656  0.38624044
   0.44850487  0.15395277  0.46401846
   0.67843619  0.08179837  0.55468963
   0.90131262  0.23195507  0.81341059
   0.61458964  0.33134913  0.53661057
   0.83445980  0.47525567  0.88776732
   0.99361655  0.44464899  0.68219963
   0.72926132  0.40349875  0.70707131
   0.75652778  0.09189830  0.94664784
   0.49322550  0.09168418  0.94277425
   0.54690083  0.54929188  0.06805460
   0.89134262  0.70686156  0.26064845
   0.54626112  0.80927663  0.04104490
   0.85335826  0.97930056  0.32487871
   0.93162508  0.91130487  0.15401551
   0.68492260  0.84774467  0.20157043
   0.80535805  0.70483268  0.43833364
   0.56364816  0.59371541  0.39880644
   0.66052771  0.59566043  0.57871716
   0.83071288  0.73704828  0.81001949
   0.56987227  0.82523389  0.47447538
   0.94720107  0.98699465  0.82691741
   0.94454445  0.85574392  0.65031277
   0.72446013  0.95341396  0.72307585
   0.75370792  0.66405671  0.98695233
   0.52487225  0.65924280  0.88539181
   0.73970114  0.84526986  0.58486047
   0.47073380  0.82214570  0.48569113
   0.88982198  0.26655596  0.05495199
   0.92113550  0.40077657  0.41982761
   0.34692580  0.12320894  0.63454107
   0.26323485  0.79022060  0.73076975
   0.28627038  1.12358397  0.18146419
   0.24660700  1.11554172  0.06366606
   0.65750101  0.31409247  0.86766405
   0.89704892  0.43480753  0.67156918
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900980    0.069122   -0.255814
    -0.000000    9.914337    0.042124
    -0.000000    0.000000   13.751142
   Si   O    H 
    32    64    10
Direct configuration=  2800
   0.17033945  0.19899708 -0.01031156
   0.35066020  0.09208542  0.38724688
   0.15716045  0.44107439  0.12993305
   0.39443216  0.33541238  0.24945267
   0.07219087  0.12423543  0.48220953
   0.38570726  0.14004146  0.84968638
   0.11295422  0.36549604  0.62695332
   0.38208166  0.38505637  0.75180216
   0.14792854  0.70589454  0.01284902
   0.40635554  0.58839879  0.36686370
   0.09393244  0.93546255  0.15244820
   0.34501963  0.84440330  0.26906926
   0.15458230  0.59742497  0.48484556
   0.36300734  0.63529588  0.86030871
   0.08734195  0.84824796  0.58913890
   0.35265661  0.99095585  0.67600953
   0.62034378  0.14221948  0.99951899
   0.82416619  0.13107035  0.33631062
   0.62684371  0.41063754  0.11570278
   0.89673023  0.31412684  0.16204543
   0.60646629  0.18347951  0.48495954
   0.89926668  0.11411264  0.89872415
   0.61239663  0.44720795  0.61937444
   0.78308955  0.35048470  0.81542584
   0.59077834  0.66761307 -0.00291328
   0.89415964  0.61138537  0.36210394
   0.57203245  0.91759683  0.13345307
   0.83949817  0.85825470  0.23975744
   0.64828059  0.67611556  0.47865808
   0.85862878  0.63779039  0.90341176
   0.65578074  0.93979752  0.62055687
   0.87170418  0.88150654  0.75796582
   0.10155943  0.09760756  0.17313965
   0.35225711  0.17990662  0.27440750
   0.16352538  0.35239689  0.03332262
   0.38180901  0.42602482  0.34873602
   0.53295908  0.33857652  0.19635681
   0.30452090  0.43598006  0.17720458
   0.22005843  0.13741879  0.42752576
  -0.04468765  0.18161652  0.40553565
   0.05149658 -0.03716079  0.50533682
   0.45672640  0.24559688  0.77819648
   0.07189412  0.21506669  0.57970478
   0.34412117  0.47697650  0.84294494
   0.46669935  0.47058719  0.66834733
   0.23757262  0.34106249  0.69979896
   0.23950286  0.20847514 -0.11770013
   0.01475437  0.14900846  0.97821224
   0.11684392  0.60158925  0.10558535
   0.38041429  0.68971722  0.27306752
   0.14350725  0.87001308  0.04202292
   0.35851847  0.92946202  0.36467544
   0.42128301  0.92921702  0.18866153
   0.17945621  0.84409781  0.23905753
   0.30342839  0.65406367  0.45281345
   0.05456801  0.62007190  0.39778636
   0.16608398  0.44500662  0.52295365
   0.32066523  0.71655773  0.76578314
   0.10037543  0.69199765  0.57917310
   0.35141796  1.00327983  0.79597592
   0.49124471  0.92476101  0.63210914
   0.22522436  0.88945205  0.64314176
   0.28230279  0.66766493 -0.04293366
   0.01313473  0.69178529  0.93715698
   0.60858423  0.06512982  0.10844966
   0.85154035  0.18995414  0.23288076
   0.62321170  0.30415269  0.02456762
   0.83681850  0.45277496  0.36567056
   0.03232969  0.38684342  0.19379049
   0.77931203  0.43852269  0.15316232
   0.69056524  0.18506302  0.38725781
   0.44872960  0.15401703  0.46459077
   0.67876167  0.08134097  0.55393433
   0.90137508  0.23161674  0.81398143
   0.61604170  0.33175723  0.53696058
   0.83509877  0.47304808  0.88714465
   0.99470960  0.44635511  0.68259729
   0.73067130  0.40356352  0.70719348
   0.75660774  0.09092324  0.94763607
   0.49221206  0.09182543  0.94146614
   0.54525156  0.55020676  0.06687314
   0.89197926  0.70675444  0.25969735
   0.54833926  0.80755159  0.04157574
   0.85247067  0.97845057  0.32472133
   0.93248499  0.91089028  0.15469654
   0.68345315  0.84796429  0.20235977
   0.80584648  0.70535416  0.43973852
   0.56348997  0.59137476  0.39783486
   0.66153539  0.59504373  0.57772743
   0.83101467  0.73740257  0.80900386
   0.56983075  0.82590516  0.47402193
   0.94981306  0.98677578  0.82725492
   0.94374953  0.85765709  0.64974663
   0.72406362  0.95301222  0.72465139
   0.75438342  0.66370209  0.98715154
   0.52544391  0.65789702  0.88605310
   0.74016741  0.84303823  0.58448384
   0.46599186  0.82344232  0.48669063
   0.87450578  0.26790929  0.04993628
   0.90195886  0.42909930  0.39955831
   0.33573736  0.12764286  0.63245061
   0.26156192  0.79347253  0.73298876
   0.30231492  1.12970694  0.19104156
   0.25300906  1.11624391  0.06389765
   0.67019543  0.31490710  0.86831975
   0.89591608  0.43745957  0.66873298
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901110    0.068441   -0.253776
    -0.000000    9.914308    0.043867
    -0.000000    0.000000   13.749681
   Si   O    H 
    32    64    10
Direct configuration=  2801
   0.16843699  0.20098599 -0.00984061
   0.35040236  0.09313977  0.38623578
   0.15863843  0.44241785  0.13016912
   0.39527395  0.33505466  0.25023934
   0.07156082  0.12585805  0.48089578
   0.38506453  0.14067727  0.84972007
   0.11250105  0.36506184  0.62597732
   0.38323371  0.38638078  0.75221827
   0.14947493  0.70448024  0.01401641
   0.40679156  0.58916364  0.36588864
   0.09401642  0.93460288  0.15175100
   0.34487536  0.84400264  0.26955482
   0.15582331  0.59867082  0.48570121
   0.36280630  0.63498282  0.86111478
   0.08720339  0.84954266  0.58965809
   0.35401719  0.99106275  0.67544205
   0.62031475  0.14146087  0.99944147
   0.82557093  0.13068810  0.33516788
   0.62565107  0.41110779  0.11547721
   0.89703888  0.31264065  0.16278101
   0.60787233  0.18420657  0.48433868
   0.89909972  0.11566098  0.89852798
   0.61221261  0.44539994  0.61915029
   0.78087590  0.35105256  0.81577773
   0.59089069  0.66643240 -0.00371533
   0.89380113  0.61158299  0.36176352
   0.57227738  0.91766104  0.13433717
   0.83841446  0.85766924  0.23946053
   0.64646407  0.67573099  0.47876778
   0.85824165  0.63830640  0.90341689
   0.65596005  0.93826297  0.62074467
   0.87189313  0.88089544  0.75799460
   0.10212036  0.09672832  0.17243011
   0.35344511  0.17858471  0.27407642
   0.16287185  0.35191357  0.03150464
   0.38222596  0.42737115  0.34870356
   0.53604675  0.33800747  0.19573141
   0.30345006  0.43627074  0.17829547
   0.21820361  0.13719879  0.42657384
  -0.04428095  0.18076568  0.40563702
   0.05083274 -0.03993092  0.50499331
   0.45578239  0.24500231  0.77781680
   0.07036367  0.21715316  0.57998741
   0.34467213  0.47706039  0.84250921
   0.46635564  0.47113111  0.66796369
   0.23887861  0.34062329  0.69893531
   0.24117064  0.20850452 -0.11721337
   0.01532037  0.15000543  0.97829750
   0.11719990  0.60108077  0.10481983
   0.37877290  0.69010181  0.27334353
   0.14617712  0.87058597  0.04114194
   0.35828447  0.92964922  0.36523897
   0.42372386  0.93045789  0.18882937
   0.17802853  0.84348767  0.23872339
   0.30273212  0.65537991  0.45305935
   0.05258439  0.61979662  0.39687756
   0.16645975  0.44488030  0.52375312
   0.32055694  0.71740081  0.76552690
   0.10257726  0.69078358  0.57756064
   0.35363303  1.00442735  0.79547609
   0.48882400  0.92339490  0.63148511
   0.22664268  0.88973768  0.64298485
   0.28397350  0.66681239 -0.04227257
   0.01309739  0.69112799  0.93678614
   0.60756704  0.06587850  0.10846484
   0.85223094  0.19146225  0.23111449
   0.62345542  0.30308589  0.02409803
   0.83449137  0.45155471  0.36563056
   0.03139991  0.38677780  0.19437950
   0.77883998  0.43735474  0.15337854
   0.68973132  0.18603206  0.38851873
   0.45029018  0.15492060  0.46537951
   0.67831938  0.07968740  0.55391337
   0.90080183  0.23170424  0.81426345
   0.61730803  0.33299154  0.53700126
   0.83656958  0.47195965  0.88629451
   0.99498993  0.44767624  0.68272489
   0.73196763  0.40369455  0.70729789
   0.75708727  0.08986710  0.94884205
   0.49015730  0.09200883  0.93974718
   0.54370395  0.55042253  0.06613804
   0.89256479  0.70605826  0.25902176
   0.55114623  0.80679849  0.04246889
   0.85187267  0.97657047  0.32423160
   0.93361333  0.91082136  0.15527907
   0.68358386  0.84805145  0.20341170
   0.80616938  0.70618721  0.44077247
   0.56321262  0.58910846  0.39692786
   0.66313521  0.59393279  0.57681851
   0.83235813  0.73848461  0.80809898
   0.56967144  0.82620047  0.47338412
   0.95185599  0.98651415  0.82784442
   0.94246264  0.85986400  0.64952639
   0.72429342  0.95259286  0.72641191
   0.75448097  0.66335599  0.98728538
   0.52578190  0.65671659  0.88695374
   0.74102900  0.83587093  0.58267282
   0.46910924  0.82454582  0.48691205
   0.86137648  0.27278585  0.05169739
   0.92355670  0.43487260  0.40264492
   0.32452405  0.12895599  0.63238111
   0.26398098  0.79198265  0.73735816
   0.31468128  1.13390355  0.20466050
   0.25428531  1.12195472  0.06231813
   0.67972131  0.31465066  0.87285454
   0.89325958  0.43952332  0.66791081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901441    0.067194   -0.251223
    -0.000000    9.914358    0.045444
    -0.000000    0.000000   13.748366
   Si   O    H 
    32    64    10
Direct configuration=  2802
   0.16681632  0.20242589 -0.00931398
   0.34998548  0.09351440  0.38524399
   0.15984947  0.44312508  0.13054103
   0.39575885  0.33526662  0.25060834
   0.07143457  0.12760895  0.47979081
   0.38427728  0.14029149  0.84997227
   0.11167848  0.36490760  0.62516354
   0.38458424  0.38769891  0.75232713
   0.15042553  0.70319161  0.01523858
   0.40721733  0.58889303  0.36542763
   0.09446813  0.93368079  0.15119218
   0.34416830  0.84354176  0.26976844
   0.15750939  0.59951320  0.48662785
   0.36287193  0.63533726  0.86222446
   0.08673193  0.85088207  0.59009275
   0.35550070  0.99066972  0.67525377
   0.62004820  0.13998423  0.99915302
   0.82663366  0.13071638  0.33491791
   0.62441043  0.41143078  0.11551591
   0.89653726  0.31142986  0.16297061
   0.60876752  0.18502126  0.48351770
   0.89899690  0.11725812  0.89812950
   0.61255021  0.44371295  0.61911813
   0.77941729  0.35164751  0.81568744
   0.59146455  0.66596019 -0.00426273
   0.89332391  0.61229389  0.36142849
   0.57235177  0.91778914  0.13507973
   0.83763630  0.85754615  0.23934659
   0.64516615  0.67638523  0.47854854
   0.85853503  0.63869543  0.90310564
   0.65587117  0.93735164  0.62057099
   0.87213579  0.88016532  0.75781776
   0.10233368  0.09564078  0.17185855
   0.35346062  0.17702545  0.27414273
   0.16138917  0.35123227  0.02924217
   0.38340760  0.42763203  0.34891363
   0.53890339  0.33691443  0.19558480
   0.30284510  0.43668660  0.17930917
   0.21565520  0.13677964  0.42644901
  -0.04393281  0.18018517  0.40600999
   0.04941375 -0.04276311  0.50457640
   0.45529352  0.24448644  0.77787635
   0.06922933  0.21983843  0.57993258
   0.34517859  0.47648754  0.84241238
   0.46618689  0.47102967  0.66845541
   0.23940516  0.33952472  0.69828003
   0.24253803  0.20784071 -0.11677615
   0.01591262  0.14969203  0.97891890
   0.11725381  0.59992541  0.10420717
   0.37795781  0.69038870  0.27355989
   0.14916198  0.87076423  0.04037435
   0.35846680  0.93055839  0.36685519
   0.42657573  0.93142025  0.18920573
   0.17661186  0.84277158  0.23751058
   0.30244270  0.65662890  0.45283597
   0.05092748  0.61894727  0.39583448
   0.16673595  0.44508921  0.52495897
   0.31982645  0.71790067  0.76576739
   0.10495013  0.69044456  0.57607916
   0.35572258  1.00572710  0.79405581
   0.48723127  0.92200424  0.63079240
   0.22797599  0.88991159  0.64302491
   0.28517530  0.66620221 -0.04136679
   0.01264231  0.69005127  0.93711137
   0.60699040  0.06646844  0.10810251
   0.85306576  0.19333401  0.22923048
   0.62446208  0.30242004  0.02358024
   0.83376923  0.45110650  0.36570701
   0.03130879  0.38594091  0.19529117
   0.77885451  0.43592895  0.15368537
   0.68945983  0.18727678  0.38979928
   0.45209987  0.15562903  0.46636888
   0.67895104  0.07751322  0.55482985
   0.89978623  0.23203301  0.81410880
   0.61839677  0.33403400  0.53629136
   0.83867944  0.47150261  0.88568586
   0.99532563  0.44899381  0.68265916
   0.73198977  0.40456436  0.70704609
   0.75783529  0.08882341  0.95004568
   0.48741632  0.09298284  0.93800198
   0.54267424  0.55035979  0.06543725
   0.89306272  0.70565542  0.25902956
   0.55432542  0.80668105  0.04303767
   0.85163954  0.97333825  0.32419065
   0.93358366  0.91027661  0.15570840
   0.68357858  0.84809641  0.20457942
   0.80583771  0.70610794  0.44126365
   0.56234457  0.58689343  0.39629608
   0.66488688  0.59185239  0.57602936
   0.83441815  0.73926159  0.80737320
   0.56914038  0.82635760  0.47281696
   0.95455096  0.98685502  0.82879081
   0.94123086  0.86269548  0.64977114
   0.72535352  0.95161190  0.72815571
   0.75499849  0.66327378  0.98704791
   0.52589047  0.65594642  0.88758330
   0.74208021  0.82574370  0.57910038
   0.48004869  0.82511205  0.48495868
   0.85421094  0.27584569  0.05803507
   0.93633845  0.43192996  0.40573985
   0.31489060  0.12844607  0.63401391
   0.26852681  0.78865978  0.74284316
   0.32724007  1.13784510  0.22061122
   0.25576833  1.12682937  0.05657372
   0.67563070  0.30996740  0.88057284
   0.90098326  0.44177096  0.66831127
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902106    0.065345   -0.248352
    -0.000000    9.914158    0.047191
    -0.000000    0.000000   13.746945
   Si   O    H 
    32    64    10
Direct configuration=  2803
   0.16568634  0.20374804 -0.00923804
   0.34958880  0.09391010  0.38449079
   0.16062857  0.44359082  0.13048425
   0.39699881  0.33573726  0.25053812
   0.07117745  0.12901563  0.47909493
   0.38322840  0.14028601  0.85068919
   0.11138058  0.36437966  0.62437335
   0.38566142  0.38857555  0.75143158
   0.15082470  0.70201241  0.01589220
   0.40748306  0.58821824  0.36542538
   0.09518866  0.93313335  0.15093217
   0.34321967  0.84397657  0.26985855
   0.15892201  0.60022223  0.48741836
   0.36296510  0.63606915  0.86305653
   0.08586304  0.85242080  0.59084423
   0.35600041  0.99074850  0.67476240
   0.62025675  0.13855377  0.99929644
   0.82759202  0.13101481  0.33461766
   0.62322633  0.41135127  0.11514342
   0.89622273  0.31082491  0.16272820
   0.60937668  0.18613409  0.48292476
   0.89908274  0.11899584  0.89740661
   0.61296451  0.44262532  0.61925187
   0.77855778  0.35240451  0.81510480
   0.59178751  0.66567448 -0.00510176
   0.89260983  0.61312249  0.36119207
   0.57207206  0.91758598  0.13590995
   0.83733173  0.85706011  0.23894189
   0.64415080  0.67677063  0.47802158
   0.85908329  0.63887369  0.90289249
   0.65529998  0.93658715  0.62027332
   0.87222468  0.87987736  0.75767963
   0.10295308  0.09473080  0.17136833
   0.35365754  0.17590725  0.27504500
   0.16004439  0.35209264  0.02753409
   0.38427194  0.42817533  0.34906678
   0.54098813  0.33575297  0.19556039
   0.30203536  0.43645548  0.18050240
   0.21236725  0.13687588  0.42674424
  -0.04350535  0.18011278  0.40630912
   0.04833399 -0.04412137  0.50338919
   0.45560703  0.24372893  0.77720288
   0.06789695  0.22183506  0.57949356
   0.34525856  0.47611458  0.84286337
   0.46625099  0.47059125  0.66968517
   0.23978649  0.33859928  0.69808754
   0.24373237  0.20797898 -0.11646691
   0.01694885  0.14898060  0.97893708
   0.11808502  0.59832580  0.10373728
   0.37730451  0.68981823  0.27428374
   0.15207853  0.87043237  0.03984228
   0.35839289  0.93199901  0.36833489
   0.42874508  0.93211044  0.18983187
   0.17511110  0.84223516  0.23693401
   0.30287886  0.65705065  0.45209338
   0.04972588  0.61775313  0.39422844
   0.16740355  0.44455191  0.52607965
   0.31959620  0.71697113  0.76631785
   0.10743592  0.69017146  0.57488674
   0.35703365  1.00679214  0.79202817
   0.48634815  0.92078619  0.63010768
   0.22892419  0.89033091  0.64338261
   0.28644613  0.66608293 -0.04027217
   0.01239653  0.68823934  0.93714395
   0.60673225  0.06772118  0.10749519
   0.85338928  0.19431925  0.22875088
   0.62555920  0.30278108  0.02412530
   0.83336452  0.45101725  0.36636205
   0.03232283  0.38490877  0.19619823
   0.77967813  0.43464519  0.15415709
   0.68933432  0.18759358  0.39020550
   0.45337585  0.15684409  0.46711077
   0.68000582  0.07432057  0.55618035
   0.89869802  0.23278744  0.81353585
   0.61932141  0.33519394  0.53483173
   0.84073888  0.47072623  0.88509388
   0.99728174  0.45019976  0.68261816
   0.73151982  0.40615356  0.70662250
   0.75968358  0.08758453  0.95077997
   0.48499148  0.09379568  0.93619928
   0.54213701  0.54938541  0.06492505
   0.89399242  0.70513102  0.25990784
   0.55694836  0.80671862  0.04374445
   0.85179169  0.96962741  0.32434505
   0.93260550  0.90993309  0.15630280
   0.68319724  0.84792504  0.20616377
   0.80502799  0.70589790  0.44158544
   0.56157762  0.58441759  0.39566441
   0.66631556  0.58922562  0.57525747
   0.83515262  0.73977315  0.80667129
   0.57062994  0.82647969  0.47228344
   0.95695974  0.98776535  0.82929517
   0.94065495  0.86450374  0.65036476
   0.72663994  0.95115793  0.73025807
   0.75585468  0.66338747  0.98764923
   0.52534752  0.65491867  0.88801837
   0.74339201  0.82250419  0.57759247
   0.47003619  0.82611735  0.48665579
   0.85699793  0.27953733  0.06761976
   0.93600866  0.42660773  0.40667683
   0.30772224  0.12293105  0.63460762
   0.26565426  0.79407601  0.74536671
   0.32830026  1.12942684  0.21450758
   0.25802333  1.12977780  0.05149995
   0.66690053  0.30596457  0.88454539
   0.90764121  0.44504479  0.66760634
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903185    0.063140   -0.245360
    -0.000000    9.913396    0.049339
    -0.000000    0.000000   13.745629
   Si   O    H 
    32    64    10
Direct configuration=  2804
   0.16479732  0.20523458 -0.00920396
   0.34935839  0.09408657  0.38437945
   0.16031279  0.44356177  0.13003716
   0.39837853  0.33665138  0.25044458
   0.07071785  0.13028028  0.47839013
   0.38224173  0.14007629  0.85194200
   0.11065822  0.36437155  0.62362671
   0.38560760  0.38933340  0.75035065
   0.15086102  0.70099925  0.01633924
   0.40767041  0.58738499  0.36563341
   0.09670974  0.93340451  0.15035351
   0.34204711  0.84450914  0.26940133
   0.16010229  0.59994780  0.48817659
   0.36312295  0.63692335  0.86357217
   0.08481343  0.85402069  0.59181026
   0.35618274  0.99126726  0.67425406
   0.62036631  0.13744136  0.99958372
   0.82842028  0.13138718  0.33426790
   0.62223749  0.41170936  0.11450377
   0.89630469  0.31093134  0.16239600
   0.60946734  0.18714493  0.48296348
   0.89922934  0.12051481  0.89657523
   0.61396823  0.44155398  0.61959294
   0.77755498  0.35285036  0.81461268
   0.59240514  0.66549642 -0.00542553
   0.89231913  0.61311065  0.36125515
   0.57176995  0.91645864  0.13648022
   0.83780653  0.85677270  0.23873120
   0.64363392  0.67739489  0.47753152
   0.85997317  0.63925101  0.90273756
   0.65463121  0.93596601  0.61956422
   0.87254831  0.87968404  0.75723325
   0.10450894  0.09347555  0.17115080
   0.35431479  0.17524886  0.27637238
   0.15921908  0.35387052  0.02606713
   0.38513766  0.42722536  0.34930970
   0.54186947  0.33441421  0.19610499
   0.30181716  0.43501264  0.18140714
   0.20869220  0.13653084  0.42721463
  -0.04326783  0.17903101  0.40649280
   0.04751599 -0.04438547  0.50210405
   0.45585993  0.24337539  0.77724118
   0.06644853  0.22306038  0.57874225
   0.34550496  0.47549391  0.84325641
   0.46684653  0.47085312  0.67104366
   0.24009695  0.33804771  0.69799844
   0.24439147  0.20835699 -0.11627908
   0.01809424  0.14773702  0.97901761
   0.11877120  0.59687108  0.10341671
   0.37656278  0.69007754  0.27484655
   0.15481975  0.87050482  0.03959200
   0.35748879  0.93378519  0.37023989
   0.43017021  0.93233653  0.19056916
   0.17462811  0.84188126  0.23612970
   0.30316324  0.65743396  0.45121006
   0.04861060  0.61689346  0.39280123
   0.16834125  0.44450419  0.52717978
   0.31993493  0.71595162  0.76763595
   0.10846340  0.69040234  0.57395373
   0.35838097  1.00758920  0.78974609
   0.48543647  0.91955342  0.62956777
   0.22978662  0.89044596  0.64382837
   0.28727256  0.66618933 -0.03915464
   0.01240181  0.68718288  0.93785256
   0.60670491  0.06862982  0.10689634
   0.85282168  0.19482318  0.22918604
   0.62644010  0.30222136  0.02447479
   0.83425661  0.45114387  0.36745851
   0.03354296  0.38376282  0.19693645
   0.77955577  0.43349646  0.15439804
   0.69062371  0.18772486  0.39020606
   0.45450513  0.15791718  0.46734521
   0.68052624  0.07141265  0.55740333
   0.89720375  0.23396121  0.81273971
   0.61967096  0.33590392  0.53362543
   0.84262481  0.47000024  0.88408585
   1.00041623  0.45150364  0.68290577
   0.73049635  0.40818477  0.70612406
   0.76007663  0.08660413  0.95096035
   0.48284391  0.09506505  0.93442912
   0.54187306  0.54807101  0.06493909
   0.89485515  0.70534380  0.26131346
   0.55971056  0.80725627  0.04459315
   0.85104059  0.96593751  0.32505326
   0.93195920  0.90975986  0.15619079
   0.68231188  0.84800813  0.20786929
   0.80361488  0.70567125  0.44193025
   0.56101577  0.58250601  0.39480877
   0.66745755  0.58612374  0.57446126
   0.83587603  0.74016483  0.80628921
   0.57138585  0.82595153  0.47245004
   0.95825548  0.98822080  0.83017588
   0.94097662  0.86646544  0.65079202
   0.72812792  0.95159214  0.73239857
   0.75696038  0.66414643  0.98776969
   0.52535312  0.65389985  0.88841061
   0.73921396  0.82654376  0.57774112
   0.46539581  0.82722488  0.48838207
   0.86081450  0.27893798  0.06963895
   0.91850750  0.42522266  0.40222774
   0.30473345  0.11778498  0.63345999
   0.26025593  0.79861786  0.75023915
   0.32313008  1.11943389  0.20389624
   0.26716795  1.12934221  0.04783414
   0.66074433  0.30254336  0.88328957
   0.89649704  0.44372389  0.66272497
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904586    0.061353   -0.242047
    -0.000000    9.912886    0.050848
    -0.000000    0.000000   13.744952
   Si   O    H 
    32    64    10
Direct configuration=  2805
   0.16410817  0.20668734 -0.00906139
   0.34944109  0.09385320  0.38432371
   0.15930777  0.44337288  0.12944504
   0.40057445  0.33801003  0.25033165
   0.07070018  0.13093825  0.47809978
   0.38094173  0.14003415  0.85277027
   0.11053379  0.36483962  0.62295110
   0.38512878  0.39040282  0.74903395
   0.15060261  0.69999428  0.01708309
   0.40752667  0.58656658  0.36581951
   0.09776242  0.93346515  0.14965889
   0.34098948  0.84431902  0.26870452
   0.16123952  0.60014018  0.48826588
   0.36352223  0.63756328  0.86405231
   0.08399870  0.85595777  0.59326712
   0.35590477  0.99110786  0.67395880
   0.62045893  0.13667869  0.99975874
   0.82917408  0.13126737  0.33388181
   0.62093386  0.41267208  0.11366255
   0.89631443  0.31110068  0.16191683
   0.60999109  0.18780257  0.48341016
   0.89976949  0.12212043  0.89552937
   0.61484618  0.44099996  0.61972411
   0.77648178  0.35274492  0.81417640
   0.59289070  0.66545722 -0.00601974
   0.89133303  0.61268768  0.36158907
   0.57157939  0.91498165  0.13707239
   0.83822419  0.85555028  0.23831310
   0.64353748  0.67783443  0.47682715
   0.86135104  0.63921499  0.90264622
   0.65384382  0.93571646  0.61874376
   0.87251013  0.87966879  0.75724016
   0.10649766  0.09180756  0.17086236
   0.35542172  0.17437946  0.27677552
   0.15718218  0.35631189  0.02452012
   0.38589113  0.42580859  0.34935096
   0.54146416  0.33321530  0.19730613
   0.30118837  0.43359919  0.18282021
   0.20542183  0.13641963  0.42760020
  -0.04337766  0.17817876  0.40633683
   0.04701572 -0.04418461  0.50101096
   0.45654458  0.24362122  0.77712739
   0.06457771  0.22465275  0.57851413
   0.34584693  0.47451903  0.84446361
   0.46770814  0.47047600  0.67179008
   0.24011291  0.33731899  0.69753530
   0.24442277  0.20848109 -0.11630903
   0.01811179  0.14615077  0.97876573
   0.11949496  0.59601886  0.10254493
   0.37586416  0.69003813  0.27486888
   0.15688209  0.87059368  0.03966245
   0.35686042  0.93543650  0.37203430
   0.43057744  0.93155415  0.19144231
   0.17507336  0.84154967  0.23522799
   0.30306239  0.65716337  0.45039862
   0.04816028  0.61574808  0.39231694
   0.16920264  0.44488898  0.52834098
   0.31955711  0.71600930  0.76799641
   0.10889786  0.69102675  0.57357421
   0.35873588  1.00828048  0.78761109
   0.48438828  0.91888784  0.62925063
   0.23079176  0.89138863  0.64414896
   0.28695451  0.66637109 -0.03738458
   0.01253432  0.68569219  0.93946028
   0.60702799  0.06960222  0.10651279
   0.85250014  0.19508843  0.23010359
   0.62831235  0.30156386  0.02492697
   0.83523187  0.45132496  0.36824332
   0.03501416  0.38341903  0.19784091
   0.77873835  0.43313298  0.15428902
   0.69279168  0.18792562  0.39002835
   0.45526984  0.15723922  0.46719922
   0.68140363  0.06916702  0.55842187
   0.89577401  0.23529134  0.81221937
   0.62085415  0.33590106  0.53218709
   0.84475294  0.46911504  0.88332791
   1.00250537  0.45259863  0.68275270
   0.72940991  0.40972257  0.70607591
   0.76084442  0.08505918  0.95096766
   0.48151976  0.09633649  0.93308033
   0.54233578  0.54613327  0.06511577
   0.89563425  0.70566490  0.26323699
   0.56091550  0.80794818  0.04484540
   0.85030147  0.96287813  0.32610209
   0.93139961  0.90955233  0.15586598
   0.68236202  0.84808478  0.20980527
   0.80223140  0.70569789  0.44191236
   0.56074910  0.58204371  0.39406347
   0.66800928  0.58321089  0.57419782
   0.83556660  0.74085942  0.80633967
   0.57155752  0.82562892  0.47199401
   0.95949974  0.98858360  0.83067202
   0.94193048  0.86832773  0.65160345
   0.72933103  0.95270063  0.73415076
   0.75821593  0.66560504  0.98838427
   0.52524350  0.65339112  0.88902388
   0.73406342  0.83152392  0.58055623
   0.46930529  0.82940491  0.48881777
   0.86993253  0.27211464  0.06363810
   0.90101241  0.41759864  0.39790297
   0.30206549  0.11791164  0.63136605
   0.26158898  0.79565356  0.75617964
   0.31583111  1.11163021  0.19768969
   0.27223251  1.12829744  0.04203704
   0.66020482  0.30668466  0.87572255
   0.89934399  0.44132104  0.65970806
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905920    0.059884   -0.239206
    -0.000000    9.912701    0.052356
    -0.000000    0.000000   13.744274
   Si   O    H 
    32    64    10
Direct configuration=  2806
   0.16296050  0.20748035 -0.00914250
   0.34938698  0.09305007  0.38454937
   0.15799965  0.44299610  0.12866153
   0.40241057  0.33964432  0.25051475
   0.07042622  0.13113884  0.47803045
   0.37946334  0.13998207  0.85317500
   0.11127375  0.36554963  0.62234307
   0.38483542  0.39111057  0.74776729
   0.14984721  0.69932026  0.01770912
   0.40716356  0.58551180  0.36572937
   0.09871184  0.93344344  0.14865439
   0.33973695  0.84471444  0.26810408
   0.16216393  0.60012827  0.48799851
   0.36416912  0.63791158  0.86469298
   0.08330386  0.85790433  0.59426676
   0.35535915  0.99093746  0.67369834
   0.62080476  0.13598268  0.99953030
   0.82979192  0.13051722  0.33342992
   0.62084710  0.41423474  0.11284670
   0.89615922  0.31098302  0.16151348
   0.61018500  0.18801762  0.48436390
   0.90100218  0.12309234  0.89469122
   0.61520298  0.44163466  0.62007368
   0.77543133  0.35236609  0.81388984
   0.59241863  0.66563210 -0.00674226
   0.88944147  0.61340582  0.36176893
   0.57175252  0.91287441  0.13730809
   0.83906594  0.85428694  0.23855577
   0.64326806  0.67820356  0.47600340
   0.86265117  0.63862721  0.90265095
   0.65291115  0.93481360  0.61835723
   0.87287790  0.87994305  0.75731477
   0.10841895  0.09087434  0.17038172
   0.35653779  0.17410560  0.27647004
   0.15556971  0.35938298  0.02365019
   0.38654760  0.42415121  0.34932636
   0.54095940  0.33233282  0.19794641
   0.30136166  0.43181926  0.18439434
   0.20287484  0.13605517  0.42713328
  -0.04396889  0.17796539  0.40584496
   0.04633700 -0.04370172  0.50046958
   0.45749358  0.24414433  0.77645973
   0.06281010  0.22526862  0.57756218
   0.34707279  0.47311654  0.84586336
   0.46995880  0.47042130  0.67245069
   0.23939086  0.33629461  0.69680286
   0.24378660  0.20903965 -0.11670708
   0.01789740  0.14474372  0.97828110
   0.12009069  0.59555025  0.10167293
   0.37525951  0.68989352  0.27478533
   0.15837767  0.86987595  0.03966589
   0.35653202  0.93653985  0.37368265
   0.43111548  0.93079715  0.19328576
   0.17579698  0.84118763  0.23423502
   0.30320795  0.65583520  0.44976409
   0.04818833  0.61387877  0.39206357
   0.17033290  0.44512441  0.52929032
   0.31890052  0.71619555  0.76840798
   0.10908742  0.69213659  0.57315368
   0.35918704  1.00871406  0.78557836
   0.48359303  0.91826814  0.62884964
   0.23186626  0.89219692  0.64410405
   0.28657611  0.66658881 -0.03579455
   0.01278006  0.68446012  0.94093545
   0.60749608  0.07025054  0.10602449
   0.85239435  0.19488558  0.23182036
   0.63038072  0.30021851  0.02508910
   0.83468670  0.45312926  0.36789903
   0.03735566  0.38278844  0.19862131
   0.77800332  0.43319731  0.15391558
   0.69568722  0.18825700  0.38969071
   0.45603299  0.15627278  0.46683690
   0.68197355  0.06743686  0.55915012
   0.89402143  0.23661958  0.81131909
   0.62228284  0.33527222  0.53138222
   0.84644694  0.46989076  0.88228294
   1.00352845  0.45385441  0.68238060
   0.72778587  0.41123006  0.70553450
   0.76128614  0.08439737  0.95092266
   0.48132562  0.09733130  0.93240621
   0.54271932  0.54359133  0.06544091
   0.89575180  0.70613717  0.26488552
   0.56153901  0.80913355  0.04515979
   0.84994213  0.95962303  0.32757114
   0.93127113  0.90975732  0.15469283
   0.68082134  0.84820376  0.21167272
   0.80097764  0.70635218  0.44186010
   0.56163545  0.58164913  0.39339633
   0.66856782  0.58072278  0.57418396
   0.83488547  0.74066801  0.80688461
   0.57069003  0.82515057  0.47165858
   0.96044769  0.98854133  0.83177371
   0.94336219  0.87045768  0.65233955
   0.73109883  0.95433323  0.73508300
   0.75908969  0.66684058  0.98907184
   0.52465459  0.65287366  0.88944572
   0.73296548  0.83331865  0.58468377
   0.47929439  0.83217328  0.48488474
   0.88107474  0.26433945  0.05737426
   0.92228743  0.38927328  0.41085231
   0.30221999  0.11715914  0.62715404
   0.26616905  0.78926467  0.76086445
   0.30772666  1.10935654  0.19690553
   0.27448968  1.12882259  0.03743576
   0.66269451  0.31080113  0.86493988
   0.91304716  0.44098558  0.66029580
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907285    0.058295   -0.236399
    -0.000000    9.912301    0.053874
    -0.000000    0.000000   13.743935
   Si   O    H 
    32    64    10
Direct configuration=  2807
   0.16317296  0.20795885 -0.00910631
   0.34940478  0.09303601  0.38547980
   0.15719583  0.44287045  0.12807533
   0.40334754  0.34069115  0.25042059
   0.06990300  0.13068729  0.47854244
   0.37772330  0.14021623  0.85297682
   0.11136768  0.36590363  0.62180233
   0.38398413  0.39112996  0.74690999
   0.14883056  0.69893311  0.01834489
   0.40653642  0.58470972  0.36534161
   0.09928363  0.93359477  0.14708211
   0.33765935  0.84596033  0.26756857
   0.16203949  0.59963768  0.48751675
   0.36487341  0.63842587  0.86506321
   0.08302832  0.86016546  0.59524797
   0.35424929  0.99126702  0.67316837
   0.62055957  0.13570470  0.99949103
   0.83066193  0.12965100  0.33338204
   0.62085063  0.41579689  0.11248454
   0.89610965  0.31152633  0.16049398
   0.61020981  0.18815283  0.48521243
   0.90275764  0.12338490  0.89410441
   0.61519616  0.44273932  0.61998807
   0.77420206  0.35162370  0.81392489
   0.59202934  0.66570807 -0.00718660
   0.88795097  0.61290270  0.36204625
   0.57194260  0.91081503  0.13736597
   0.83996263  0.85334823  0.23898276
   0.64306038  0.67850390  0.47547347
   0.86377920  0.63794989  0.90244716
   0.65150127  0.93398297  0.61802232
   0.87368300  0.88077125  0.75741858
   0.11069440  0.09000538  0.16956160
   0.35766114  0.17430142  0.27665112
   0.15352131  0.36235264  0.02347813
   0.38702538  0.42200116  0.34964401
   0.54063468  0.33250247  0.19865796
   0.30159803  0.43064491  0.18522166
   0.20093557  0.13552501  0.42656503
  -0.04451306  0.17746170  0.40567151
   0.04566334 -0.04271094  0.50047033
   0.45804235  0.24406568  0.77626705
   0.06188743  0.22520171  0.57677273
   0.34824819  0.47209151  0.84708713
   0.47219575  0.47131341  0.67304001
   0.23852779  0.33566552  0.69568330
   0.24280919  0.20947202 -0.11726194
   0.01756400  0.14409901  0.97812304
   0.12045561  0.59474906  0.10078600
   0.37579224  0.68978310  0.27451786
   0.16009691  0.86936506  0.03986019
   0.35643679  0.93653147  0.37496662
   0.43139519  0.92945672  0.19552888
   0.17682816  0.84071817  0.23329380
   0.30325456  0.65411773  0.44877569
   0.04886894  0.61177308  0.39272899
   0.17099906  0.44497978  0.52973255
   0.31877333  0.71547189  0.76811514
   0.10901600  0.69437910  0.57241775
   0.35984378  1.00909368  0.78415179
   0.48321037  0.91754730  0.62879509
   0.23215375  0.89217333  0.64370733
   0.28666494  0.66702730 -0.03423165
   0.01191478  0.68288960  0.94224912
   0.60730131  0.07097260  0.10597241
   0.85205033  0.19386834  0.23351604
   0.63244663  0.29880979  0.02578190
   0.83445338  0.45486936  0.36822356
   0.03976459  0.38137667  0.19890746
   0.77745508  0.43363717  0.15370901
   0.69746668  0.18852656  0.38929947
   0.45679656  0.15546357  0.46581850
   0.68218648  0.06634051  0.56002897
   0.89173303  0.23806725  0.81006202
   0.62383825  0.33518608  0.53086803
   0.84808223  0.47129734  0.88122691
   1.00433111  0.45564492  0.68241258
   0.72663156  0.41237850  0.70543719
   0.76106039  0.08372460  0.95093176
   0.48266344  0.09852254  0.93243563
   0.54376203  0.54019466  0.06608331
   0.89526217  0.70616208  0.26605017
   0.56256610  0.81065695  0.04533119
   0.84939417  0.95741301  0.32881704
   0.93151731  0.90920513  0.15334596
   0.67925209  0.84752118  0.21388791
   0.80078853  0.70650243  0.44173484
   0.56315617  0.58213196  0.39285818
   0.66960909  0.57908587  0.57386894
   0.83377794  0.73935522  0.80785028
   0.57040777  0.82448255  0.47150478
   0.96106429  0.98860661  0.83277595
   0.94529552  0.87240906  0.65359529
   0.73206298  0.95618081  0.73555407
   0.76042638  0.66800253  0.99007491
   0.52259660  0.65279115  0.88966906
   0.73540824  0.82818356  0.58827258
   0.47775753  0.83550881  0.48189433
   0.88966542  0.25718567  0.05389289
   0.92888787  0.37119226  0.41728883
   0.30797976  0.11895516  0.62417521
   0.25884762  0.79649133  0.76166026
   0.30039661  1.10776212  0.20306002
   0.27458220  1.13182183  0.03546537
   0.66254724  0.31094251  0.85798611
   0.92337898  0.44231233  0.66109271
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908421    0.056919   -0.234011
    -0.000000    9.912351    0.055066
    -0.000000    0.000000   13.743313
   Si   O    H 
    32    64    10
Direct configuration=  2808
   0.16370459  0.20894075 -0.00923293
   0.34937368  0.09292068  0.38649232
   0.15670071  0.44266071  0.12772301
   0.40381986  0.34153850  0.25055330
   0.06922779  0.12993398  0.47929713
   0.37647763  0.14058318  0.85196172
   0.11155964  0.36597981  0.62163277
   0.38321780  0.39090175  0.74649364
   0.14720126  0.69932367  0.01909534
   0.40547999  0.58351581  0.36435841
   0.09977941  0.93356954  0.14528904
   0.33573473  0.84734511  0.26667206
   0.16099977  0.59917950  0.48667223
   0.36503091  0.63871445  0.86573683
   0.08280274  0.86199550  0.59578306
   0.35273907  0.99157156  0.67222802
   0.61982522  0.13551927  0.99962799
   0.83155584  0.12867947  0.33393543
   0.62172455  0.41683222  0.11236380
   0.89561171  0.31278451  0.15916014
   0.61061574  0.18818446  0.48622150
   0.90405358  0.12289914  0.89325055
   0.61584642  0.44360920  0.61975191
   0.77284646  0.35110985  0.81342681
   0.59191925  0.66528246 -0.00718556
   0.88675629  0.61248227  0.36273256
   0.57240627  0.90952649  0.13779879
   0.84044066  0.85274119  0.23919270
   0.64298198  0.67801225  0.47520020
   0.86452649  0.63691318  0.90218297
   0.65050593  0.93293211  0.61826044
   0.87434295  0.88170493  0.75796737
   0.11254881  0.08925353  0.16913002
   0.35859358  0.17442601  0.27663540
   0.15230879  0.36510226  0.02369985
   0.38787107  0.42025135  0.35015645
   0.54060076  0.33215334  0.19840148
   0.30125332  0.43001985  0.18587373
   0.20031990  0.13499216  0.42598173
  -0.04512290  0.17741893  0.40535445
   0.04567716 -0.04090282  0.50047060
   0.45873178  0.24356088  0.77630946
   0.06135415  0.22527257  0.57636244
   0.34967309  0.47146633  0.84770523
   0.47387399  0.47155582  0.67354877
   0.23836680  0.33487844  0.69476885
   0.24134328  0.20977378 -0.11794131
   0.01677498  0.14295060  0.97775588
   0.12189444  0.59400723  0.09970075
   0.37634888  0.68868150  0.27426583
   0.16081085  0.86862396  0.03994597
   0.35651487  0.93552673  0.37587846
   0.43102658  0.92764824  0.19762318
   0.17766869  0.84018377  0.23255799
   0.30354320  0.65246685  0.44825698
   0.04930070  0.61017320  0.39338751
   0.17177654  0.44494069  0.52936742
   0.31850357  0.71431883  0.76747073
   0.10965876  0.69644474  0.57143456
   0.36056368  1.00881787  0.78381347
   0.48333814  0.91741093  0.62895881
   0.23158811  0.89203542  0.64376376
   0.28722735  0.66755125 -0.03273752
   0.01131236  0.68276063  0.94317412
   0.60686949  0.07074284  0.10654114
   0.85151146  0.19275992  0.23506995
   0.63465331  0.29788311  0.02673238
   0.83499581  0.45653411  0.36911056
   0.04200697  0.37938908  0.19937814
   0.77694899  0.43387365  0.15390146
   0.69970797  0.18946126  0.38943388
   0.45772425  0.15490959  0.46439043
   0.68259036  0.06596207  0.56032533
   0.88967689  0.24007313  0.80953878
   0.62524449  0.33501844  0.53091438
   0.84986340  0.47316154  0.88030028
   1.00691535  0.45734623  0.68276691
   0.72605484  0.41339157  0.70508268
   0.76106943  0.08325617  0.95109249
   0.48430518  0.09973939  0.93316829
   0.54499862  0.53793670  0.06636725
   0.89441723  0.70639369  0.26697656
   0.56339254  0.81226528  0.04582951
   0.84815581  0.95609869  0.32982527
   0.93159923  0.90880866  0.15142635
   0.67789430  0.84635705  0.21612074
   0.80117069  0.70739060  0.44127307
   0.56468821  0.58280937  0.39314912
   0.67048326  0.57794859  0.57377697
   0.83373158  0.73794507  0.80897318
   0.57035439  0.82362249  0.47145920
   0.96196058  0.98876138  0.83292072
   0.94803169  0.87313336  0.65448099
   0.73260519  0.95825310  0.73591987
   0.76110552  0.66937017  0.99141929
   0.52108360  0.65270589  0.88955036
   0.73331304  0.81471365  0.59194832
   0.46638192  0.84466280  0.47776077
   0.90138668  0.25487282  0.05694371
   0.92135809  0.36280720  0.41624235
   0.31806240  0.11957890  0.62039282
   0.25687007  0.79792432  0.76054679
   0.29270284  1.11092371  0.21461686
   0.27369632  1.13220166  0.03484502
   0.65380419  0.31065309  0.85464280
   0.89960989  0.43909407  0.65474545
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909856    0.055688   -0.231419
    -0.000000    9.912611    0.055912
    -0.000000    0.000000   13.742755
   Si   O    H 
    32    64    10
Direct configuration=  2809
   0.16450150  0.21013773 -0.00963735
   0.34895229  0.09279897  0.38745099
   0.15681764  0.44177724  0.12753542
   0.40366699  0.34195566  0.25066918
   0.06804374  0.12904561  0.48015095
   0.37589028  0.14097952  0.85096006
   0.11182435  0.36548724  0.62105994
   0.38250649  0.39077146  0.74613891
   0.14561110  0.70021841  0.01920569
   0.40413152  0.58242629  0.36310752
   0.09996397  0.93371403  0.14390400
   0.33355138  0.84839733  0.26596834
   0.15956319  0.59867993  0.48575966
   0.36466109  0.63810029  0.86632217
   0.08326305  0.86344011  0.59611560
   0.35124074  0.99207202  0.67082428
   0.61967699  0.13530792  0.99944489
   0.83175597  0.12793339  0.33537398
   0.62271605  0.41711715  0.11241821
   0.89524491  0.31402850  0.15797395
   0.61102291  0.18869826  0.48703937
   0.90540387  0.12209148  0.89262703
   0.61659676  0.44435493  0.62014525
   0.77229648  0.35165263  0.81291703
   0.59135615  0.66475118 -0.00675955
   0.88552656  0.61254580  0.36326549
   0.57266029  0.90818663  0.13807969
   0.84154406  0.85277724  0.23941006
   0.64338805  0.67717098  0.47493492
   0.86503538  0.63644889  0.90190882
   0.64945588  0.93191732  0.61865642
   0.87451732  0.88258392  0.75872122
   0.11473707  0.08898198  0.16890016
   0.35967345  0.17464820  0.27631583
   0.15091869  0.36675889  0.02428504
   0.38864053  0.41891274  0.35104982
   0.54096069  0.33194742  0.19850124
   0.30033721  0.42947069  0.18603542
   0.20158633  0.13495999  0.42494312
  -0.04572130  0.17778370  0.40498662
   0.04549720 -0.03886766  0.50084674
   0.45859894  0.24283088  0.77637962
   0.06082789  0.22497655  0.57585805
   0.35144846  0.47045012  0.84740362
   0.47568889  0.47190227  0.67328554
   0.23900775  0.33374256  0.69398158
   0.24023275  0.21038806 -0.11803842
   0.01571121  0.14164744  0.97707315
   0.12370300  0.59235767  0.09882743
   0.37628906  0.68793453  0.27439688
   0.16164868  0.86743759  0.04032121
   0.35711480  0.93362947  0.37650981
   0.43040060  0.92638198  0.19905391
   0.17797631  0.83993446  0.23161645
   0.30330762  0.65046955  0.44779138
   0.05068835  0.60914911  0.39426673
   0.17210640  0.44517656  0.52953786
   0.31744268  0.71381568  0.76709376
   0.11062950  0.69902249  0.57085955
   0.36100943  1.00742206  0.78400797
   0.48374695  0.91681002  0.62881263
   0.23085727  0.89133734  0.64391935
   0.28779947  0.66831372 -0.03198187
   0.01051279  0.68203707  0.94414485
   0.60662212  0.06837623  0.10714050
   0.85074317  0.19238588  0.23579139
   0.63664148  0.29685774  0.02794046
   0.83676191  0.45770867  0.37049282
   0.04352009  0.37751949  0.19955419
   0.77663832  0.43459061  0.15368801
   0.70161358  0.19002780  0.38949991
   0.45787094  0.15428092  0.46314211
   0.68212625  0.06514570  0.56063837
   0.88787780  0.24179434  0.80923158
   0.62684668  0.33433130  0.53079079
   0.85132883  0.47473773  0.87886639
   1.00835504  0.45927689  0.68272791
   0.72548254  0.41441759  0.70524885
   0.76096969  0.08280206  0.95103637
   0.48663420  0.09996618  0.93477634
   0.54502917  0.53636567  0.06625407
   0.89329287  0.70663873  0.26767700
   0.56412858  0.81362472  0.04605217
   0.84665183  0.95573314  0.33079063
   0.93150048  0.90846388  0.14936658
   0.67616435  0.84566418  0.21865845
   0.80104939  0.70834018  0.44092399
   0.56674974  0.58406742  0.39297420
   0.67125718  0.57698299  0.57361427
   0.83423146  0.73606788  0.80976260
   0.57020504  0.82288100  0.47191446
   0.96266355  0.98872265  0.83280666
   0.95049526  0.87383028  0.65575783
   0.73180572  0.96042003  0.73627894
   0.76180458  0.67009256  0.99285034
   0.51952075  0.65353229  0.89010522
   0.73039392  0.80308728  0.59567373
   0.46209934  0.85059597  0.47435399
   0.91798958  0.25457651  0.06423151
   0.90516212  0.36267406  0.40896271
   0.32860917  0.12278729  0.61701012
   0.26150801  0.79298489  0.75940988
   0.28251729  1.11847509  0.22629763
   0.27231980  1.13265302  0.03643584
   0.63738121  0.30882115  0.85482832
   0.89326010  0.43842738  0.65561072
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911618    0.054684   -0.228839
    -0.000000    9.912560    0.056446
    -0.000000    0.000000   13.742508
   Si   O    H 
    32    64    10
Direct configuration=  2810
   0.16581167  0.21147289 -0.01028955
   0.34828876  0.09305575  0.38854594
   0.15689122  0.44046761  0.12759475
   0.40280909  0.34296125  0.25038626
   0.06649920  0.12795148  0.48097133
   0.37608538  0.14151445  0.84978677
   0.11213338  0.36554716  0.62026280
   0.38151774  0.39053850  0.74596288
   0.14399216  0.70116045  0.01888278
   0.40277931  0.58125245  0.36218476
   0.10042134  0.93356509  0.14252046
   0.33164785  0.84949056  0.26522575
   0.15866233  0.59759885  0.48504113
   0.36411175  0.63697361  0.86702103
   0.08391798  0.86499399  0.59541823
   0.34999657  0.99284137  0.66949083
   0.61911374  0.13530241  0.99926957
   0.83176498  0.12669162  0.33682623
   0.62369736  0.41670751  0.11222049
   0.89452674  0.31524411  0.15738114
   0.61180997  0.18869317  0.48775246
   0.90672212  0.12114160  0.89200274
   0.61783370  0.44474295  0.62044828
   0.77148896  0.35200579  0.81264760
   0.59114443  0.66451164 -0.00586656
   0.88454352  0.61235534  0.36342198
   0.57330697  0.90758634  0.13853320
   0.84208810  0.85336072  0.23953375
   0.64444583  0.67609978  0.47476460
   0.86520586  0.63591525  0.90152137
   0.64875344  0.93039028  0.61986783
   0.87459387  0.88386635  0.75944291
   0.11626747  0.08853415  0.16819388
   0.36077798  0.17421080  0.27549459
   0.15030311  0.36775701  0.02445732
   0.38906876  0.41817667  0.35163126
   0.54182601  0.33311171  0.19917481
   0.29915781  0.42866037  0.18596472
   0.20390307  0.13489529  0.42346856
  -0.04629641  0.17920194  0.40531858
   0.04540854 -0.03679582  0.50179638
   0.45717362  0.24233603  0.77611515
   0.05900779  0.22432114  0.57575494
   0.35222100  0.47026203  0.84664396
   0.47835627  0.47275534  0.67255967
   0.23982679  0.33325355  0.69360361
   0.23852564  0.21098994 -0.11781651
   0.01498047  0.14159948  0.97592007
   0.12531394  0.59043661  0.09839050
   0.37655936  0.68711892  0.27402037
   0.16248953  0.86645613  0.04087860
   0.35748754  0.93127245  0.37701910
   0.42981087  0.92532737  0.20019333
   0.17803220  0.83947943  0.23088716
   0.30314960  0.64834805  0.44696025
   0.05174830  0.60776796  0.39552036
   0.17197641  0.44529393  0.52922256
   0.31676632  0.71313139  0.76704838
   0.11142710  0.70204394  0.57042436
   0.36154456  1.00579151  0.78490806
   0.48451189  0.91677855  0.62886453
   0.22992907  0.89134318  0.64409449
   0.28832611  0.66799883 -0.03168123
   0.00948193  0.68196161  0.94497236
   0.60656172  0.06541208  0.10797031
   0.84932825  0.19222050  0.23529803
   0.63842540  0.29592002  0.02867979
   0.83847406  0.45757209  0.37190830
   0.04380876  0.37579438  0.19968151
   0.77589756  0.43428015  0.15391111
   0.70391774  0.19070021  0.38978352
   0.45736589  0.15366304  0.46219286
   0.68246955  0.06391448  0.56055781
   0.88583968  0.24385053  0.80986179
   0.62825613  0.33352334  0.53076283
   0.85328704  0.47627259  0.87750315
   1.00882946  0.46030003  0.68234268
   0.72491925  0.41470316  0.70514377
   0.76096723  0.08292408  0.95057806
   0.48850082  0.10033047  0.93639570
   0.54503790  0.53543403  0.06613108
   0.89234746  0.70700542  0.26844686
   0.56533715  0.81497624  0.04578916
   0.84464871  0.95604993  0.33210037
   0.93185088  0.90802091  0.14704205
   0.67470779  0.84484721  0.22056211
   0.80130137  0.70847438  0.44040473
   0.56830633  0.58387474  0.39239010
   0.67128539  0.57691199  0.57318091
   0.83490953  0.73489696  0.81012325
   0.56937320  0.82218762  0.47323029
   0.96276049  0.98759885  0.83280449
   0.95215121  0.87416634  0.65736643
   0.73103653  0.96182455  0.73632464
   0.76196905  0.67082376  0.99416947
   0.51821587  0.65420398  0.89030396
   0.72494270  0.79904541  0.60090733
   0.47130146  0.85559569  0.46999813
   0.93041034  0.25794872  0.06786978
   0.88006404  0.37330827  0.39648867
   0.33924180  0.12357120  0.61629774
   0.26471660  0.78974445  0.75890681
   0.26964166  1.13000058  0.23707064
   0.26995653  1.13188779  0.04419724
   0.62610056  0.30608963  0.85623992
   0.90581542  0.44031201  0.65953300
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912973    0.054063   -0.226463
    -0.000000    9.912318    0.057204
    -0.000000    0.000000   13.741890
   Si   O    H 
    32    64    10
Direct configuration=  2811
   0.16752775  0.21206708 -0.01102470
   0.34730348  0.09315004  0.38951049
   0.15674685  0.43944870  0.12822753
   0.40158997  0.34397016  0.25028928
   0.06556912  0.12783978  0.48161738
   0.37630632  0.14222804  0.84873393
   0.11275693  0.36562633  0.61958893
   0.38110570  0.38978797  0.74591258
   0.14285655  0.70290618  0.01830324
   0.40148924  0.58028730  0.36169169
   0.10005955  0.93366110  0.14121294
   0.33006574  0.84982204  0.26494809
   0.15798624  0.59712250  0.48483154
   0.36306718  0.63593261  0.86752598
   0.08473658  0.86634184  0.59445885
   0.34904748  0.99355154  0.66845324
   0.61899683  0.13527689  0.99935039
   0.83211655  0.12450703  0.33792015
   0.62449989  0.41534697  0.11227348
   0.89355361  0.31596006  0.15669649
   0.61287275  0.18822351  0.48832346
   0.90797932  0.11997401  0.89100498
   0.61861382  0.44563433  0.62033315
   0.77027876  0.35328776  0.81255431
   0.59187384  0.66431598 -0.00432989
   0.88408404  0.61202650  0.36386622
   0.57355624  0.90721415  0.13898796
   0.84244955  0.85390012  0.23970811
   0.64605552  0.67477211  0.47465602
   0.86502268  0.63555568  0.90085109
   0.64809669  0.92880841  0.62108766
   0.87428681  0.88506047  0.76034465
   0.11792632  0.08858641  0.16739090
   0.36163508  0.17465897  0.27470678
   0.15027383  0.36845390  0.02444669
   0.38940583  0.41819480  0.35210877
   0.54242831  0.33313659  0.19978396
   0.29822698  0.42732009  0.18525826
   0.20592346  0.13546727  0.42221512
  -0.04596996  0.18093752  0.40573522
   0.04591807 -0.03520650  0.50252186
   0.45576546  0.24226631  0.77638737
   0.05746125  0.22314989  0.57550936
   0.35322901  0.47139353  0.84552509
   0.48013881  0.47407007  0.67206470
   0.24112896  0.33346463  0.69350887
   0.23696091  0.21051729 -0.11728848
   0.01456502  0.14189641  0.97509678
   0.12658560  0.58898625  0.09759106
   0.37677790  0.68558404  0.27299159
   0.16440213  0.86537330  0.04096000
   0.35692751  0.92976447  0.37709173
   0.42996762  0.92517786  0.20019581
   0.17807794  0.83908091  0.23016024
   0.30231351  0.64650752  0.44627665
   0.05253125  0.60610595  0.39639361
   0.17116147  0.44509426  0.52878277
   0.31621783  0.71218641  0.76724887
   0.11142305  0.70480055  0.56946328
   0.36232457  1.00357161  0.78599292
   0.48542561  0.91739873  0.62926835
   0.22857467  0.89159859  0.64439226
   0.28905879  0.66819640 -0.03086126
   0.00914882  0.68156632  0.94575564
   0.60617734  0.06229724  0.10907638
   0.84788477  0.19277438  0.23455180
   0.63927480  0.29508034  0.02919874
   0.83940099  0.45723251  0.37285673
   0.04418511  0.37473068  0.19926437
   0.77533495  0.43420835  0.15406237
   0.70513847  0.19156627  0.39071030
   0.45605934  0.15333175  0.46106864
   0.68308716  0.06300319  0.56008678
   0.88500751  0.24570224  0.81046819
   0.62918151  0.33280424  0.53126867
   0.85431158  0.47789327  0.87615667
   1.00769116  0.46100434  0.68180778
   0.72490665  0.41552032  0.70511529
   0.76117505  0.08333420  0.94995646
   0.49048263  0.10090031  0.93739823
   0.54390846  0.53608972  0.06632858
   0.89035252  0.70666147  0.26948240
   0.56626846  0.81555089  0.04505025
   0.84267281  0.95620714  0.33316645
   0.93216638  0.90690123  0.14503175
   0.67438102  0.84384011  0.22243222
   0.80076631  0.70847886  0.43919685
   0.56944118  0.58430981  0.39143774
   0.67099039  0.57710713  0.57240606
   0.83629260  0.73372840  0.81006565
   0.56826711  0.82193517  0.47386386
   0.96253398  0.98663439  0.83261660
   0.95440552  0.87515630  0.65872119
   0.73035357  0.96355321  0.73586093
   0.76188392  0.67159166  0.99467508
   0.51739062  0.65376161  0.89055308
   0.72069308  0.79848734  0.61068830
   0.48389667  0.85752429  0.46398186
   0.94149464  0.25817045  0.07020288
   0.86086420  0.38524797  0.38601915
   0.35105757  0.12041000  0.61597096
   0.26058559  0.79753472  0.75520863
   0.25579602  1.14267729  0.24341671
   0.26450047  1.13112055  0.04952904
   0.62713561  0.30475225  0.85542537
   0.92974665  0.44579486  0.66543144
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913842    0.054126   -0.224130
    -0.000000    9.911828    0.057945
    -0.000000    0.000000   13.741457
   Si   O    H 
    32    64    10
Direct configuration=  2812
   0.16956270  0.21247751 -0.01145425
   0.34660903  0.09303885  0.39004424
   0.15593881  0.43824378  0.12845023
   0.40038962  0.34433345  0.25038945
   0.06425545  0.12784710  0.48189814
   0.37675412  0.14255742  0.84764825
   0.11405528  0.36586248  0.61915815
   0.38088577  0.38890758  0.74570186
   0.14136328  0.70447911  0.01754845
   0.40027687  0.57964909  0.36124685
   0.10035357  0.93443689  0.14009735
   0.32932638  0.84975587  0.26508317
   0.15718807  0.59670492  0.48456236
   0.36207848  0.63491934  0.86782179
   0.08535720  0.86700559  0.59360041
   0.34833790  0.99447937  0.66729155
   0.61963292  0.13476857  0.99924142
   0.83195163  0.12231530  0.33909321
   0.62548662  0.41363988  0.11275738
   0.89263570  0.31680409  0.15633683
   0.61368612  0.18728469  0.48834530
   0.90860097  0.11863625  0.89049492
   0.61969289  0.44594127  0.61998593
   0.76921769  0.35500499  0.81273479
   0.59355039  0.66432724 -0.00250210
   0.88355972  0.61236287  0.36452269
   0.57385248  0.90680339  0.13922896
   0.84280519  0.85454141  0.23970468
   0.64768911  0.67328134  0.47469494
   0.86419188  0.63487061  0.90031648
   0.64800908  0.92740980  0.62265319
   0.87299695  0.88645163  0.76139026
   0.11979005  0.08886826  0.16709870
   0.36216176  0.17587634  0.27386570
   0.15070409  0.36811807  0.02443868
   0.38983015  0.41792743  0.35317917
   0.54388622  0.33270159  0.20000240
   0.29763040  0.42612474  0.18388767
   0.20715159  0.13570210  0.42178569
  -0.04623138  0.18300917  0.40584463
   0.04674222 -0.03381169  0.50342856
   0.45374930  0.24227492  0.77620554
   0.05612611  0.22234062  0.57540502
   0.35419589  0.47245861  0.84489764
   0.48161110  0.47476628  0.67205330
   0.24237200  0.33477164  0.69341242
   0.23579066  0.21133314 -0.11716533
   0.01416276  0.14190776  0.97388848
   0.12729477  0.58841985  0.09688007
   0.37700182  0.68462481  0.27209939
   0.16548184  0.86457803  0.04067882
   0.35744925  0.92793468  0.37712678
   0.43130095  0.92436675  0.19896985
   0.17713370  0.83896085  0.22973717
   0.30173902  0.64455519  0.44521813
   0.05274165  0.60415198  0.39715759
   0.17024604  0.44481788  0.52849166
   0.31503689  0.71085909  0.76774365
   0.11113976  0.70889794  0.56842273
   0.36303161  1.00103758  0.78706218
   0.48570872  0.91750991  0.62994649
   0.22744168  0.89180828  0.64415795
   0.28953448  0.66852636 -0.03049390
   0.00953713  0.68137893  0.94649428
   0.60574838  0.05956557  0.10961096
   0.84646217  0.19378259  0.23331247
   0.64101493  0.29484097  0.02978700
   0.83905982  0.46053265  0.37285548
   0.04474979  0.37454626  0.19887662
   0.77524489  0.43469765  0.15412022
   0.70547187  0.19287692  0.39144402
   0.45533294  0.15326706  0.46028164
   0.68361451  0.06230112  0.55935428
   0.88483977  0.24643995  0.81077624
   0.62965038  0.33236898  0.53227939
   0.85480328  0.47817219  0.87443793
   1.01084157  0.46277991  0.68155455
   0.72599002  0.41778984  0.70530517
   0.76126992  0.08375502  0.94845508
   0.49138600  0.10148505  0.93753979
   0.54297669  0.53779681  0.06610179
   0.88814527  0.70619328  0.27024260
   0.56676248  0.81617073  0.04406873
   0.84207531  0.95677874  0.33399434
   0.93221883  0.90502235  0.14350250
   0.67518747  0.84254139  0.22407213
   0.80090614  0.70780217  0.43760188
   0.57029445  0.58420628  0.39057192
   0.67088268  0.57764912  0.57121954
   0.83835811  0.73350103  0.80926076
   0.56819477  0.82145948  0.47413963
   0.96242813  0.98625453  0.83253349
   0.95708895  0.87630032  0.66039682
   0.72977101  0.96440723  0.73568294
   0.76151269  0.67145749  0.99494392
   0.51776123  0.65346893  0.89099398
   0.71682113  0.79882558  0.61871066
   0.48218806  0.86302006  0.45713806
   0.94696747  0.25701711  0.07027387
   0.86323840  0.33534165  0.38879093
   0.35808254  0.11990493  0.61514641
   0.25888033  0.79910903  0.75210474
   0.24601132  1.15742796  0.24654871
   0.25956983  1.13140041  0.05661739
   0.63744775  0.30788337  0.85408981
   0.90321279  0.44252577  0.66075709
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914661    0.054247   -0.222381
    -0.000000    9.911458    0.058714
    -0.000000    0.000000   13.741294
   Si   O    H 
    32    64    10
Direct configuration=  2813
   0.17086744  0.21252172 -0.01145607
   0.34582918  0.09228072  0.39005382
   0.15507064  0.43743571  0.12874585
   0.39940287  0.34414673  0.25002640
   0.06265361  0.12754810  0.48205639
   0.37782167  0.14256983  0.84666085
   0.11522834  0.36664055  0.61910931
   0.38131647  0.38812967  0.74543889
   0.14018248  0.70612270  0.01646909
   0.39942160  0.57870153  0.36138400
   0.10011924  0.93603082  0.13916275
   0.32924825  0.84944026  0.26524587
   0.15644479  0.59601332  0.48474288
   0.36096378  0.63434971  0.86803304
   0.08577876  0.86707140  0.59258420
   0.34798642  0.99573629  0.66621805
   0.62108566  0.13476868  0.99924381
   0.83136712  0.12019719  0.34008592
   0.62621963  0.41161845  0.11328731
   0.89162327  0.31721665  0.15619909
   0.61432731  0.18617677  0.48835418
   0.90849434  0.11742659  0.89009845
   0.62083511  0.44626246  0.61892164
   0.76852513  0.35708554  0.81299646
   0.59559318  0.66486829 -0.00096847
   0.88360313  0.61270143  0.36523304
   0.57406282  0.90638909  0.13958594
   0.84249659  0.85533829  0.23958673
   0.64953392  0.67246337  0.47478948
   0.86364374  0.63416257  0.89965306
   0.64783351  0.92657909  0.62447076
   0.87172548  0.88740347  0.76246489
   0.12118927  0.08959575  0.16652465
   0.36175647  0.17706727  0.27356119
   0.15178422  0.36706823  0.02400312
   0.39034253  0.41755189  0.35389729
   0.54413739  0.33208056  0.20007362
   0.29697667  0.42381902  0.18233802
   0.20713318  0.13659129  0.42137828
  -0.04690012  0.18490195  0.40524404
   0.04705660 -0.03215916  0.50383321
   0.45193357  0.24241742  0.77600166
   0.05535419  0.22144540  0.57533840
   0.35463237  0.47243241  0.84423148
   0.48195980  0.47545866  0.67157500
   0.24249120  0.33635591  0.69342716
   0.23527125  0.21263657 -0.11708526
   0.01475156  0.14230526  0.97301385
   0.12781917  0.58805985  0.09592863
   0.37709078  0.68362367  0.27069634
   0.16671125  0.86390662  0.04000085
   0.35817797  0.92671587  0.37686898
   0.43363783  0.92340076  0.19797627
   0.17640700  0.83849708  0.22928558
   0.30123288  0.64293620  0.44406355
   0.05237060  0.60154699  0.39705980
   0.16927895  0.44531907  0.52823180
   0.31321550  0.71051343  0.76808509
   0.11069236  0.71182400  0.56729990
   0.36219436  0.99907988  0.78823449
   0.48638350  0.91855119  0.63061277
   0.22573166  0.89231008  0.64389100
   0.28995094  0.66855211 -0.03012899
   0.00992683  0.68060191  0.94691937
   0.60518787  0.05724625  0.10988729
   0.84572216  0.19482375  0.23214905
   0.64170512  0.29434000  0.03034877
   0.83866352  0.46258995  0.37243230
   0.04462986  0.37333571  0.19875834
   0.77518594  0.43554751  0.15443255
   0.70539124  0.19347217  0.39178674
   0.45448514  0.15268062  0.46019875
   0.68380474  0.06204413  0.55905395
   0.88449584  0.24635783  0.81116871
   0.63038937  0.33216715  0.53316113
   0.85517306  0.47851913  0.87250473
   1.01302221  0.46391959  0.68056487
   0.72706944  0.41974566  0.70549900
   0.76191608  0.08427091  0.94683603
   0.49120050  0.10242780  0.93779698
   0.54181747  0.54036341  0.06601337
   0.88581338  0.70643354  0.27128121
   0.56661425  0.81678929  0.04327498
   0.84184854  0.95633394  0.33465413
   0.93233605  0.90290721  0.14250599
   0.67577903  0.84147246  0.22552657
   0.80048438  0.70691685  0.43635716
   0.57034296  0.58350169  0.38917839
   0.67079624  0.57873626  0.56942335
   0.83990521  0.73333793  0.80831190
   0.56885289  0.82022646  0.47500400
   0.96219941  0.98584114  0.83261269
   0.95958310  0.87701140  0.66195212
   0.72887965  0.96498033  0.73549912
   0.76061535  0.67123219  0.99446391
   0.51795030  0.65418729  0.89118417
   0.71230067  0.79692011  0.62516772
   0.47786143  0.86552365  0.44819982
   0.94802025  0.25536749  0.06974900
   0.86257105  0.30884604  0.38790202
   0.36119313  0.12099388  0.61569793
   0.26272694  0.79175842  0.74819141
   0.23897187  1.16776107  0.24551302
   0.25354386  1.13437807  0.06191484
   0.64771566  0.31240158  0.85446821
   0.89263590  0.44254057  0.65940447
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915002    0.055241   -0.221185
    -0.000000    9.911025    0.060069
    -0.000000    0.000000   13.741188
   Si   O    H 
    32    64    10
Direct configuration=  2814
   0.17156959  0.21274951 -0.01099879
   0.34507047  0.09107327  0.38935778
   0.15368566  0.43673396  0.12883007
   0.39868123  0.34292909  0.24973204
   0.06132664  0.12760168  0.48228584
   0.37862778  0.14244393  0.84612755
   0.11581540  0.36719200  0.61944567
   0.38153351  0.38753845  0.74499802
   0.13942830  0.70771908  0.01577945
   0.39921377  0.57753275  0.36161361
   0.09990299  0.93736160  0.13826696
   0.32879894  0.84877154  0.26488781
   0.15546874  0.59577227  0.48521710
   0.36053580  0.63402217  0.86811605
   0.08614016  0.86711626  0.59175450
   0.34812398  0.99677164  0.66563712
   0.62319589  0.13475630  0.99981640
   0.83040712  0.11878130  0.34082679
   0.62594155  0.40962039  0.11358910
   0.89058751  0.31745576  0.15635197
   0.61517912  0.18494676  0.48841844
   0.90799840  0.11560994  0.88963053
   0.62192529  0.44652447  0.61750992
   0.76767001  0.35911570  0.81303123
   0.59772724  0.66538204  0.00024459
   0.88423422  0.61281477  0.36590443
   0.57433417  0.90522268  0.13987838
   0.84187460  0.85598222  0.23954743
   0.65146081  0.67232823  0.47459783
   0.86311136  0.63380217  0.89915633
   0.64838473  0.92625541  0.62631199
   0.87067443  0.88826379  0.76339036
   0.12288171  0.08955815  0.16606733
   0.36176742  0.17828661  0.27375327
   0.15274709  0.36621738  0.02378249
   0.39110380  0.41656452  0.35411820
   0.54470483  0.33106317  0.19993848
   0.29648591  0.42215877  0.18052980
   0.20684022  0.13771929  0.42045118
  -0.04776571  0.18593883  0.40463619
   0.04751815 -0.03004420  0.50404754
   0.45041247  0.24218739  0.77557176
   0.05440497  0.22157340  0.57551860
   0.35556574  0.47261384  0.84316689
   0.48156621  0.47561670  0.67122671
   0.24302651  0.33795115  0.69345909
   0.23551353  0.21376813 -0.11741492
   0.01575066  0.14255830  0.97234542
   0.12864782  0.58784761  0.09568707
   0.37713719  0.68280077  0.26945411
   0.16831555  0.86353787  0.04003932
   0.35858407  0.92630175  0.37610309
   0.43589312  0.92220093  0.19670816
   0.17533047  0.83869523  0.22861993
   0.30183533  0.64111016  0.44307414
   0.05085876  0.59932680  0.39642602
   0.16871997  0.44674635  0.52831509
   0.31115838  0.70924639  0.76809640
   0.11160998  0.71395518  0.56620260
   0.36070108  0.99755404  0.78920874
   0.48690021  0.91976539  0.63105108
   0.22484296  0.89335188  0.64345803
   0.28955175  0.66907832 -0.02928383
   0.01009859  0.68043664  0.94739259
   0.60492079  0.05541751  0.10998277
   0.84502582  0.19570446  0.23154076
   0.64207137  0.29439978  0.03079367
   0.83854593  0.46401717  0.37183445
   0.04410375  0.37199172  0.19951580
   0.77569504  0.43727164  0.15455576
   0.70608827  0.19430696  0.39192975
   0.45426380  0.15247328  0.45976660
   0.68396805  0.06274893  0.55900699
   0.88461150  0.24609505  0.81122674
   0.63191371  0.33122462  0.53402711
   0.85476263  0.47894402  0.87094207
   1.01313163  0.46560512  0.67906274
   0.72825917  0.42062349  0.70543488
   0.76216606  0.08403365  0.94524780
   0.49069606  0.10316383  0.93696256
   0.54069402  0.54284953  0.06600445
   0.88465656  0.70716934  0.27140872
   0.56670363  0.81739864  0.04282501
   0.84240733  0.95630416  0.33556098
   0.93301998  0.90068311  0.14210400
   0.67666168  0.84060063  0.22623768
   0.79966785  0.70627475  0.43553178
   0.57033964  0.58225583  0.38732584
   0.67091721  0.58063663  0.56783951
   0.84166132  0.73428911  0.80698068
   0.57076204  0.81926669  0.47543897
   0.96169593  0.98640938  0.83337901
   0.96065325  0.87852255  0.66270039
   0.72712858  0.96539282  0.73549425
   0.75959918  0.67019484  0.99363638
   0.51850951  0.65582117  0.89123614
   0.70871402  0.79367594  0.62713454
   0.48377341  0.85974907  0.44055754
   0.94326336  0.25185894  0.06733580
   0.86631249  0.30099502  0.38758001
   0.36396872  0.12779977  0.61368757
   0.26940463  0.78498649  0.74479042
   0.23731158  1.16821133  0.24184243
   0.24573466  1.13888814  0.06338069
   0.65446056  0.31668386  0.85236946
   0.89885413  0.44542019  0.65931059
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915606    0.056163   -0.219799
    -0.000000    9.910721    0.061746
    -0.000000    0.000000   13.740862
   Si   O    H 
    32    64    10
Direct configuration=  2815
   0.17223797  0.21267556 -0.01057774
   0.34472214  0.09002666  0.38894505
   0.15209538  0.43631973  0.12870310
   0.39813945  0.34188842  0.24931199
   0.06060519  0.12789287  0.48246712
   0.37985049  0.14226257  0.84563056
   0.11667585  0.36700276  0.61969462
   0.38231383  0.38688350  0.74485608
   0.13951112  0.70944782  0.01486909
   0.39930987  0.57587043  0.36234934
   0.09964188  0.93922968  0.13755008
   0.32818918  0.84725828  0.26469631
   0.15467227  0.59535700  0.48559886
   0.35965183  0.63401353  0.86854325
   0.08584258  0.86667965  0.59066645
   0.34873956  0.99755882  0.66561406
   0.62555661  0.13491567  1.00097854
   0.82877515  0.11810871  0.34111923
   0.62526790  0.40768302  0.11364511
   0.88958476  0.31756508  0.15644215
   0.61597013  0.18354849  0.48858482
   0.90763383  0.11471799  0.88912464
   0.62291631  0.44652929  0.61616837
   0.76768505  0.36100277  0.81303018
   0.60028792  0.66591930  0.00116656
   0.88525704  0.61281054  0.36624861
   0.57443528  0.90298451  0.14035801
   0.84155402  0.85672833  0.23929822
   0.65312558  0.67190771  0.47376878
   0.86250235  0.63367262  0.89889953
   0.64952834  0.92606857  0.62776072
   0.87015066  0.88847311  0.76375629
   0.12421610  0.09069412  0.16612232
   0.36071740  0.17929393  0.27400126
   0.15374315  0.36531311  0.02343468
   0.39276323  0.41556481  0.35487139
   0.54534976  0.33133656  0.19986096
   0.29606791  0.42073012  0.17842704
   0.20556427  0.13910908  0.41970071
  -0.04869335  0.18707628  0.40397086
   0.04849000 -0.02792257  0.50403044
   0.44910359  0.24340600  0.77479172
   0.05388348  0.22182678  0.57508351
   0.35603376  0.47303803  0.84216247
   0.48056633  0.47530319  0.67113194
   0.24415091  0.33940492  0.69362547
   0.23707310  0.21418753 -0.11785692
   0.01746743  0.14397072  0.97167436
   0.13016507  0.58849197  0.09533475
   0.37740231  0.68235155  0.26834092
   0.16827104  0.86310645  0.04052628
   0.35848616  0.92575265  0.37520222
   0.43773421  0.92176354  0.19548637
   0.17405586  0.83931349  0.22830301
   0.30282587  0.63882628  0.44259671
   0.04963753  0.59775823  0.39568147
   0.16837024  0.44786469  0.52825564
   0.30985320  0.70745611  0.76878326
   0.11226364  0.71569640  0.56450574
   0.35895378  0.99712854  0.78968105
   0.48767658  0.92116273  0.63187249
   0.22460260  0.89465335  0.64322188
   0.28911146  0.67006502 -0.02842768
   0.00991725  0.68007431  0.94782334
   0.60475667  0.05388267  0.10933551
   0.84372104  0.19601591  0.23146395
   0.64176575  0.29538092  0.03118290
   0.83840408  0.46376604  0.37112233
   0.04339170  0.37118920  0.19970670
   0.77627121  0.43988600  0.15584000
   0.70643889  0.19524351  0.39208296
   0.45492073  0.15281686  0.45968017
   0.68441005  0.06297104  0.55836411
   0.88388368  0.24547532  0.81113709
   0.63266967  0.32959975  0.53462744
   0.85449749  0.47853241  0.86960605
   1.01144184  0.46693826  0.67710269
   0.72954512  0.42070038  0.70529384
   0.76305750  0.08379842  0.94386842
   0.49072340  0.10396218  0.93643660
   0.54008179  0.54418548  0.06602276
   0.88367535  0.70767014  0.27122364
   0.56649775  0.81733039  0.04230587
   0.84287552  0.95689409  0.33641546
   0.93357493  0.89851564  0.14212985
   0.67730778  0.83945951  0.22647713
   0.79846370  0.70598528  0.43505621
   0.57044818  0.58100529  0.38560449
   0.67081369  0.58255028  0.56663203
   0.84330436  0.73544335  0.80635400
   0.57231578  0.81812149  0.47663940
   0.96137906  0.98761035  0.83449395
   0.96102840  0.87931645  0.66319288
   0.72562398  0.96530255  0.73506566
   0.75824223  0.66940156  0.99233990
   0.51961700  0.65685941  0.89132631
   0.70702691  0.79116360  0.62701652
   0.49404268  0.85324192  0.43577149
   0.93581357  0.24969934  0.06633219
   0.87157644  0.30586291  0.38794129
   0.36090740  0.13002393  0.61333231
   0.26762460  0.79019238  0.73943050
   0.23809407  1.16209258  0.23570794
   0.24327306  1.14356977  0.06597038
   0.64844991  0.31800193  0.85783792
   0.91897707  0.45325133  0.66287742
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915515    0.057135   -0.218745
    -0.000000    9.910466    0.063316
    -0.000000    0.000000   13.740782
   Si   O    H 
    32    64    10
Direct configuration=  2816
   0.17246921  0.21196778 -0.01040606
   0.34446895  0.08907250  0.38818526
   0.15131888  0.43568979  0.12820903
   0.39736866  0.34041919  0.24874120
   0.06096343  0.12790689  0.48222198
   0.38077771  0.14187292  0.84546366
   0.11751553  0.36661170  0.61998950
   0.38306432  0.38600940  0.74497736
   0.14026350  0.71050030  0.01382781
   0.39943111  0.57515766  0.36337121
   0.09876148  0.94100941  0.13699364
   0.32827055  0.84499649  0.26489079
   0.15384731  0.59567171  0.48632314
   0.35931600  0.63459502  0.86918493
   0.08514438  0.86683476  0.59018337
   0.34890290  0.99829839  0.66592139
   0.62853715  0.13544724  1.00229718
   0.82777152  0.11713715  0.34113082
   0.62502360  0.40621983  0.11374110
   0.88900635  0.31790829  0.15652143
   0.61650608  0.18181697  0.48863735
   0.90700022  0.11445522  0.88871809
   0.62344275  0.44665352  0.61568092
   0.76813963  0.36299238  0.81287415
   0.60230039  0.66612669  0.00158108
   0.88673659  0.61277333  0.36646608
   0.57418423  0.90061896  0.14104789
   0.84150134  0.85679813  0.23871303
   0.65421855  0.67146547  0.47263101
   0.86166008  0.63331017  0.89886677
   0.65093991  0.92664837  0.62919503
   0.86915723  0.88887979  0.76405811
   0.12555860  0.09220113  0.16648157
   0.35959098  0.17969309  0.27453564
   0.15528396  0.36421364  0.02310378
   0.39397401  0.41425885  0.35582542
   0.54664770  0.33146795  0.20026437
   0.29653185  0.41816678  0.17731083
   0.20361172  0.14016737  0.41932633
  -0.04955186  0.18814786  0.40351299
   0.04908785 -0.02650881  0.50387770
   0.44885700  0.24409444  0.77444168
   0.05392709  0.22202699  0.57468450
   0.35630748  0.47369284  0.84101599
   0.47979698  0.47459352  0.67153407
   0.24510039  0.33999018  0.69300928
   0.23879647  0.21384528 -0.11859291
   0.01953212  0.14556405  0.97151493
   0.13198029  0.59053074  0.09544875
   0.37802634  0.68185283  0.26785592
   0.16744307  0.86281929  0.04088806
   0.35845938  0.92504646  0.37455484
   0.43796995  0.92090135  0.19501292
   0.17251555  0.84022012  0.22746931
   0.30339662  0.63628184  0.44207015
   0.04849688  0.59669188  0.39522161
   0.16805243  0.44899719  0.52800195
   0.30813204  0.70653675  0.76958308
   0.11286905  0.71687892  0.56279769
   0.35758805  0.99707200  0.78985380
   0.48826222  0.92227280  0.63250876
   0.22418284  0.89624937  0.64364206
   0.28895876  0.67107793 -0.02816315
   0.00953511  0.68037977  0.94809351
   0.60487551  0.05272080  0.10860872
   0.84200777  0.19569553  0.23119236
   0.64157721  0.29615986  0.03120344
   0.83808140  0.46202768  0.37078448
   0.04187449  0.37043940  0.19960732
   0.77579783  0.44178828  0.15706992
   0.70647496  0.19605711  0.39185050
   0.45659712  0.15322643  0.45913950
   0.68386897  0.06296482  0.55697693
   0.88295142  0.24483942  0.81087745
   0.63324047  0.32894416  0.53582048
   0.85409582  0.47766083  0.86846829
   1.01066685  0.46836458  0.67520258
   0.73166836  0.42059003  0.70493534
   0.76344494  0.08323767  0.94258196
   0.49057272  0.10427380  0.93538736
   0.54042957  0.54556620  0.06675488
   0.88288822  0.70856742  0.27066104
   0.56668276  0.81701947  0.04197035
   0.84329634  0.95728800  0.33721496
   0.93423026  0.89664052  0.14185961
   0.67780165  0.83851784  0.22611950
   0.79735626  0.70547606  0.43415313
   0.57069864  0.58092668  0.38398996
   0.67082321  0.58377539  0.56555937
   0.84417710  0.73691077  0.80592278
   0.57306556  0.81683298  0.47714658
   0.96137905  0.98788222  0.83581783
   0.96135257  0.87983086  0.66431288
   0.72382623  0.96492273  0.73477569
   0.75761809  0.66850028  0.99089415
   0.52182828  0.65877303  0.89117224
   0.70806384  0.78330426  0.62503770
   0.50553987  0.84317764  0.43530555
   0.92308315  0.24964215  0.06618807
   0.87733017  0.32768547  0.39075901
   0.35459721  0.12718018  0.61569485
   0.26728641  0.79195864  0.73514724
   0.23817520  1.14944739  0.22531263
   0.24402177  1.14498067  0.07175720
   0.64294288  0.31929844  0.86352530
   0.93445170  0.45978086  0.66916118
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915344    0.058414   -0.217721
    -0.000000    9.910342    0.065021
    -0.000000    0.000000   13.740956
   Si   O    H 
    32    64    10
Direct configuration=  2817
   0.17352807  0.21162802 -0.01049930
   0.34453608  0.08791940  0.38713972
   0.14994192  0.43534563  0.12775949
   0.39625118  0.33890909  0.24807764
   0.06157025  0.12813277  0.48184018
   0.38158984  0.14146241  0.84576572
   0.11885009  0.36596987  0.62031780
   0.38367308  0.38527581  0.74503115
   0.14127314  0.71102602  0.01265616
   0.40041952  0.57457726  0.36457536
   0.09804717  0.94204108  0.13677582
   0.32873449  0.84250857  0.26530867
   0.15278670  0.59595873  0.48671597
   0.35944747  0.63491933  0.86954762
   0.08373298  0.86756896  0.59005150
   0.34948429  0.99856471  0.66582120
   0.63077634  0.13581677  1.00332879
   0.82695196  0.11670964  0.34138136
   0.62464438  0.40503930  0.11442807
   0.88891075  0.31820447  0.15715969
   0.61641634  0.17994517  0.48845542
   0.90561306  0.11431061  0.88817320
   0.62393885  0.44694126  0.61509908
   0.76851809  0.36443023  0.81308260
   0.60330753  0.66697176  0.00227560
   0.88853328  0.61306363  0.36688914
   0.57365702  0.89814354  0.14173424
   0.84180226  0.85719795  0.23866763
   0.65478849  0.67124712  0.47129816
   0.86160160  0.63386444  0.89888365
   0.65165411  0.92693340  0.63032525
   0.86809133  0.88897447  0.76390031
   0.12687573  0.09418727  0.16717343
   0.35777271  0.18022808  0.27523030
   0.15605073  0.36330872  0.02252537
   0.39505842  0.41311216  0.35647431
   0.54768330  0.33163416  0.20114266
   0.29724710  0.41576811  0.17716475
   0.20104788  0.14084334  0.41967730
  -0.04923965  0.18875055  0.40297430
   0.04871155 -0.02650156  0.50436211
   0.44914739  0.24482299  0.77433780
   0.05428133  0.22287384  0.57465392
   0.35682062  0.47459650  0.83996109
   0.47895368  0.47274431  0.67163239
   0.24579509  0.34054989  0.69241230
   0.23966452  0.21393727 -0.11960073
   0.02180162  0.14715637  0.97126067
   0.13370830  0.59196152  0.09601641
   0.37869520  0.68236860  0.26705372
   0.16619057  0.86332751  0.04151505
   0.35944247  0.92465760  0.37386653
   0.43705087  0.91916020  0.19466708
   0.17046814  0.84152724  0.22662293
   0.30394226  0.63420163  0.44146947
   0.04779729  0.59570512  0.39467511
   0.16750483  0.44942633  0.52763880
   0.30683105  0.70561040  0.77021900
   0.11344403  0.71751710  0.56094016
   0.35682466  0.99736858  0.78973097
   0.48832516  0.92398810  0.63302192
   0.22362376  0.89823739  0.64420052
   0.28855150  0.67241348 -0.02857658
   0.00845095  0.68044035  0.94781070
   0.60498718  0.05277618  0.10785849
   0.83958604  0.19509878  0.23118777
   0.64164520  0.29688478  0.03015729
   0.83731427  0.45890764  0.36949857
   0.03977965  0.36944503  0.19992411
   0.77584248  0.44286001  0.15871242
   0.70603972  0.19672560  0.39121336
   0.45871996  0.15319427  0.45921162
   0.68375931  0.06270521  0.55568267
   0.88189198  0.24342990  0.81059007
   0.63353657  0.32876191  0.53677535
   0.85360325  0.47721277  0.86752957
   1.01455612  0.47016269  0.67362938
   0.73455553  0.42055703  0.70503172
   0.76446930  0.08278226  0.94165518
   0.49043272  0.10523032  0.93433342
   0.54137666  0.54659394  0.06754050
   0.88254962  0.70952033  0.27015281
   0.56697662  0.81659674  0.04194926
   0.84410125  0.95767570  0.33734964
   0.93468075  0.89454763  0.14143536
   0.67836573  0.83678985  0.22548493
   0.79581380  0.70477719  0.43333521
   0.57078769  0.58047534  0.38234101
   0.67040132  0.58592229  0.56516793
   0.84557598  0.73880910  0.80624508
   0.57465111  0.81518003  0.47868139
   0.96162291  0.98652913  0.83686714
   0.96037980  0.88008702  0.66532161
   0.72238932  0.96407637  0.73404453
   0.75796418  0.66763880  0.98943027
   0.52373416  0.66132646  0.89113271
   0.71079970  0.77862691  0.62000274
   0.50100886  0.83833642  0.43144139
   0.90809392  0.25195144  0.06439365
   0.88142539  0.35983055  0.39105112
   0.34456118  0.12743596  0.61676827
   0.27126085  0.78578567  0.73575355
   0.23848442  1.13613993  0.21159608
   0.24574670  1.14885442  0.07548184
   0.63714581  0.32235976  0.86710227
   0.87807045  0.46049998  0.66972829
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915344    0.059035   -0.216669
    -0.000000    9.910720    0.066978
    -0.000000    0.000000   13.741219
   Si   O    H 
    32    64    10
Direct configuration=  2818
   0.17406808  0.21092866 -0.01074131
   0.34414056  0.08728292  0.38586647
   0.14828841  0.43491050  0.12690067
   0.39488648  0.33748962  0.24788812
   0.06195982  0.12815447  0.48112008
   0.38280844  0.14065906  0.84640016
   0.11905822  0.36595478  0.62042241
   0.38439521  0.38519951  0.74503801
   0.14181826  0.71145355  0.01151729
   0.40224257  0.57403605  0.36536687
   0.09702528  0.94205527  0.13663526
   0.32912862  0.83985604  0.26537904
   0.15229858  0.59656200  0.48678933
   0.35952255  0.63521859  0.86964249
   0.08177219  0.86816937  0.58979214
   0.35001156  0.99786610  0.66558131
   0.63285437  0.13610618  1.00463731
   0.82663226  0.11713326  0.34141844
   0.62398494  0.40475863  0.11498136
   0.88878718  0.31884491  0.15824973
   0.61633376  0.17817655  0.48835473
   0.90503768  0.11489019  0.88786083
   0.62396062  0.44731020  0.61471470
   0.76839673  0.36512272  0.81319728
   0.60377770  0.66756751  0.00249899
   0.89000743  0.61346588  0.36749100
   0.57334068  0.89634064  0.14234326
   0.84276732  0.85767064  0.23899225
   0.65442098  0.67155339  0.46967750
   0.86156305  0.63509760  0.89868428
   0.65256486  0.92735985  0.63110760
   0.86725749  0.88867516  0.76317819
   0.12853651  0.09663972  0.16830999
   0.35609094  0.18051236  0.27633107
   0.15686521  0.36212020  0.02172312
   0.39687643  0.41224560  0.35654602
   0.54835847  0.33139159  0.20211653
   0.29767983  0.41317305  0.17657486
   0.19880357  0.14154041  0.42015970
  -0.04815308  0.18841543  0.40287077
   0.04839171 -0.02749177  0.50487144
   0.44942940  0.24476519  0.77376433
   0.05473424  0.22389123  0.57496829
   0.35737814  0.47584391  0.83908123
   0.47865165  0.47022506  0.67227203
   0.24648969  0.34107779  0.69230463
   0.24017886  0.21318120 -0.12032288
   0.02348261  0.14827924  0.97081295
   0.13437950  0.59373012  0.09718826
   0.37815199  0.68305358  0.26647949
   0.16442431  0.86438564  0.04243784
   0.35980860  0.92431550  0.37269055
   0.43523863  0.91804214  0.19481880
   0.16889651  0.84253771  0.22547690
   0.30478144  0.63265134  0.44123963
   0.04720647  0.59523356  0.39398595
   0.16735850  0.44953739  0.52756574
   0.30446342  0.70481744  0.77046542
   0.11391648  0.71687810  0.55968605
   0.35624765  0.99852989  0.78930833
   0.48768599  0.92560735  0.63380363
   0.22359523  0.90026761  0.64458745
   0.28759450  0.67314661 -0.02984784
   0.00678259  0.68068432  0.94683598
   0.60510704  0.05383709  0.10680686
   0.83740901  0.19397452  0.23122021
   0.64174353  0.29680112  0.02922051
   0.83712544  0.45626540  0.36795573
   0.03771279  0.36895236  0.19955918
   0.77517774  0.44515969  0.15963768
   0.70454956  0.19617312  0.39099063
   0.46085406  0.15368496  0.45865521
   0.68385073  0.06179520  0.55517474
   0.88064759  0.24262884  0.80988837
   0.63435139  0.32875874  0.53778994
   0.85366990  0.47726006  0.86729578
   1.01689962  0.47125811  0.67173949
   0.73728767  0.42112519  0.70478967
   0.76486141  0.08303287  0.94080689
   0.49063562  0.10725442  0.93394355
   0.54262546  0.54721956  0.06857346
   0.88175829  0.70993525  0.27003840
   0.56742965  0.81616824  0.04157573
   0.84484211  0.95740910  0.33738354
   0.93448550  0.89283615  0.14124454
   0.67871165  0.83599085  0.22417909
   0.79400770  0.70442690  0.43270406
   0.57018846  0.58054133  0.38098652
   0.66980890  0.58662794  0.56570285
   0.84716704  0.74006695  0.80707347
   0.57620113  0.81347058  0.48015140
   0.96140809  0.98483897  0.83768872
   0.95969194  0.88052528  0.66588859
   0.72114731  0.96345826  0.73334152
   0.75895912  0.66645944  0.98830854
   0.52546074  0.66333468  0.89195514
   0.71177445  0.78512243  0.61363392
   0.49894549  0.83293104  0.42934997
   0.89268124  0.25701657  0.06432929
   0.88211278  0.39695735  0.38869697
   0.33207447  0.12958327  0.61719150
   0.27497100  0.77991590  0.73726907
   0.23614819  1.11959385  0.19950915
   0.25357541  1.14953514  0.07502125
   0.63900687  0.32670613  0.86344790
   0.84166595  0.45928871  0.67250809
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915724    0.058779   -0.215838
    -0.000000    9.910674    0.068731
    -0.000000    0.000000   13.741603
   Si   O    H 
    32    64    10
Direct configuration=  2819
   0.17491899  0.21011129 -0.01047006
   0.34282107  0.08657348  0.38482659
   0.14702388  0.43507300  0.12643428
   0.39424750  0.33661481  0.24836359
   0.06256908  0.12877826  0.47982025
   0.38371462  0.13990580  0.84711757
   0.11875548  0.36623847  0.62043093
   0.38458294  0.38563435  0.74488260
   0.14215295  0.71156542  0.01025395
   0.40452863  0.57326613  0.36593668
   0.09643167  0.94169687  0.13649354
   0.32924308  0.83754787  0.26540304
   0.15263967  0.59709659  0.48668595
   0.36005468  0.63532170  0.86937105
   0.08008504  0.86935720  0.58957131
   0.35069686  0.99718330  0.66559908
   0.63434093  0.13615398  1.00600159
   0.82668080  0.11802403  0.34100836
   0.62364807  0.40457992  0.11539519
   0.88793749  0.31880273  0.15981759
   0.61651496  0.17663415  0.48830033
   0.90470779  0.11549279  0.88744691
   0.62378311  0.44791286  0.61481989
   0.76861706  0.36572663  0.81356929
   0.60364352  0.66797332  0.00234488
   0.89114085  0.61413210  0.36799293
   0.57329265  0.89488093  0.14271374
   0.84385952  0.85752419  0.23873592
   0.65257942  0.67113472  0.46766676
   0.86150130  0.63653927  0.89862296
   0.65406240  0.92780221  0.63153656
   0.86692915  0.88858071  0.76236390
   0.13009660  0.09792480  0.16979477
   0.35436680  0.18048918  0.27715527
   0.15779785  0.36198756  0.02043706
   0.39734353  0.41143472  0.35670104
   0.54834946  0.33099090  0.20293611
   0.29804028  0.41066351  0.17630377
   0.19761243  0.14206642  0.42049360
  -0.04718222  0.18785749  0.40230973
   0.04834429 -0.02868140  0.50550329
   0.44977991  0.24472265  0.77326286
   0.05506621  0.22539049  0.57530254
   0.35787833  0.47699237  0.83830929
   0.47839136  0.46805539  0.67240354
   0.24687156  0.34069144  0.69206792
   0.24037015  0.21225445 -0.12119180
   0.02438768  0.14893963  0.96987153
   0.13487768  0.59488370  0.09863549
   0.37791222  0.68318244  0.26620901
   0.16250914  0.86568953  0.04292459
   0.35926049  0.92375873  0.37141182
   0.43200824  0.91717844  0.19495290
   0.16705507  0.84317401  0.22474420
   0.30440346  0.63081585  0.44197542
   0.04727373  0.59463800  0.39326620
   0.16740540  0.44948134  0.52731549
   0.30188051  0.70344105  0.77025914
   0.11389687  0.71561123  0.55892062
   0.35594906  1.00078945  0.78872832
   0.48600682  0.92630536  0.63503621
   0.22399094  0.90223820  0.64476879
   0.28697246  0.67293730 -0.03081721
   0.00532339  0.68052750  0.94620349
   0.60592939  0.05341224  0.10566197
   0.83474409  0.19251045  0.23123450
   0.64188828  0.29676781  0.02871804
   0.83444090  0.45684457  0.36585518
   0.03597012  0.36918037  0.19882382
   0.77484422  0.44702290  0.16062251
   0.70277023  0.19519848  0.39051489
   0.46284583  0.15404243  0.45801884
   0.68445139  0.06098820  0.55469840
   0.87959654  0.24116763  0.80907793
   0.63599963  0.32835092  0.53927563
   0.85353878  0.47725865  0.86682841
   1.01863063  0.47191224  0.67010775
   0.74035051  0.42208465  0.70416760
   0.76428020  0.08412950  0.94021698
   0.49166496  0.10917793  0.93383139
   0.54453950  0.54773627  0.06980941
   0.88104347  0.70960737  0.26994672
   0.56750607  0.81550150  0.04133567
   0.84565496  0.95702306  0.33765266
   0.93430588  0.89191424  0.14101289
   0.67960464  0.83476050  0.22364644
   0.79321174  0.70423480  0.43192740
   0.56900408  0.58046712  0.37962084
   0.66926652  0.58653199  0.56618137
   0.84862986  0.74180320  0.80725093
   0.57759595  0.81270658  0.48111794
   0.96114460  0.98243933  0.83791020
   0.95899063  0.88149134  0.66675942
   0.71984694  0.96355933  0.73283670
   0.76033598  0.66585401  0.98727506
   0.52683222  0.66522052  0.89208002
   0.71563695  0.79782732  0.60770350
   0.50561275  0.82724237  0.43156381
   0.87929566  0.26406365  0.06174709
   0.91608086  0.38579770  0.39961780
   0.31982528  0.13048099  0.61873976
   0.27730854  0.78401963  0.73444023
   0.22762629  1.10410317  0.18600020
   0.26384697  1.15089565  0.07019583
   0.64325970  0.33312176  0.85671784
   0.82134875  0.45501854  0.67821129
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915883    0.058157   -0.214929
    -0.000000    9.910572    0.070205
    -0.000000    0.000000   13.741742
   Si   O    H 
    32    64    10
Direct configuration=  2820
   0.17580286  0.20962656 -0.01020569
   0.34169784  0.08681161  0.38401028
   0.14597462  0.43543355  0.12599541
   0.39414613  0.33501330  0.24910527
   0.06292195  0.12943154  0.47845012
   0.38473237  0.13923910  0.84792103
   0.11906957  0.36679167  0.62075625
   0.38432373  0.38625379  0.74456819
   0.14231888  0.71071896  0.00886180
   0.40637554  0.57329795  0.36656734
   0.09590550  0.94111487  0.13652011
   0.32870641  0.83574702  0.26574337
   0.15285713  0.59785273  0.48669581
   0.36141578  0.63595160  0.86883494
   0.07803572  0.87004841  0.58960903
   0.35071685  0.99742417  0.66572982
   0.63516882  0.13588871  1.00726872
   0.82678723  0.11947320  0.34040311
   0.62326977  0.40452684  0.11576461
   0.88725534  0.31850217  0.16146054
   0.61656621  0.17583125  0.48813863
   0.90445890  0.11578392  0.88707056
   0.62225283  0.44885523  0.61505783
   0.76903697  0.36619305  0.81434576
   0.60315391  0.66891549  0.00198621
   0.89171013  0.61430206  0.36811758
   0.57298259  0.89390788  0.14295426
   0.84495057  0.85740404  0.23841129
   0.65074257  0.67072396  0.46574307
   0.86220947  0.63793656  0.89885317
   0.65525147  0.92837507  0.63173493
   0.86653819  0.88918897  0.76152135
   0.13200025  0.09780037  0.17119658
   0.35210730  0.18071964  0.27743615
   0.15847122  0.36276417  0.01944478
   0.39793938  0.41093956  0.35702497
   0.54805178  0.33036764  0.20373065
   0.29772940  0.40822155  0.17534556
   0.19650209  0.14204259  0.42063721
  -0.04708597  0.18698710  0.40175862
   0.04834061 -0.02901840  0.50586625
   0.45054086  0.24423508  0.77254587
   0.05563776  0.22691531  0.57569764
   0.35799131  0.47753376  0.83750784
   0.47881950  0.46631630  0.67247145
   0.24626728  0.34092369  0.69199081
   0.24065758  0.21162102 -0.12178983
   0.02531171  0.14982199  0.96927929
   0.13600921  0.59617534  0.10025686
   0.37744611  0.68311987  0.26614681
   0.16061441  0.86851213  0.04309469
   0.35807946  0.92315910  0.37028292
   0.42850609  0.91596510  0.19472913
   0.16486345  0.84318080  0.22381444
   0.30308055  0.62874738  0.44277384
   0.04745014  0.59397872  0.39370197
   0.16787480  0.44967183  0.52648425
   0.29919917  0.70170103  0.77038965
   0.11343252  0.71393820  0.55772151
   0.35553237  1.00375123  0.78765985
   0.48504074  0.92579032  0.63663726
   0.22413012  0.90362162  0.64535259
   0.28664265  0.67291474 -0.03165812
   0.00477835  0.67989670  0.94527963
   0.60714104  0.05191467  0.10495671
   0.83276213  0.19128586  0.23150702
   0.64163122  0.29716766  0.02773099
   0.83314326  0.45689560  0.36434048
   0.03450274  0.37010381  0.19803916
   0.77495950  0.44839296  0.16107528
   0.70097744  0.19384709  0.38984550
   0.46427534  0.15462613  0.45657941
   0.68548230  0.05985058  0.55447873
   0.87876182  0.23968671  0.80810991
   0.63724583  0.32758329  0.54066938
   0.85405020  0.47784469  0.86639040
   1.01913498  0.47208169  0.66834360
   0.74276684  0.42280624  0.70365627
   0.76289081  0.08487966  0.94018651
   0.49262109  0.11027862  0.93403163
   0.54693706  0.54840011  0.07143890
   0.88087221  0.70910335  0.26947871
   0.56794173  0.81412362  0.04140503
   0.84713818  0.95713461  0.33753371
   0.93375688  0.89160586  0.14115934
   0.68078765  0.83444494  0.22326658
   0.79354149  0.70415975  0.43095529
   0.56768279  0.58105260  0.37856197
   0.66902875  0.58593491  0.56673786
   0.84986911  0.74295866  0.80668649
   0.57838152  0.81240320  0.48191687
   0.96089422  0.97998906  0.83782670
   0.95878549  0.88306058  0.66766884
   0.71936685  0.96430005  0.73295515
   0.76219793  0.66567714  0.98631451
   0.52766385  0.66623617  0.89234381
   0.72286512  0.80978118  0.60028244
   0.51363102  0.82345872  0.43534703
   0.86637562  0.27180966  0.06032615
   0.93706352  0.38499491  0.40293025
   0.31150244  0.13048532  0.61898219
   0.28093274  0.79447382  0.73141499
   0.22033263  1.09582461  0.17434448
   0.27347262  1.15405202  0.05949467
   0.64541630  0.33934173  0.84971069
   0.82140026  0.45593377  0.67843011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915929    0.057155   -0.213788
    -0.000000    9.911133    0.071424
    -0.000000    0.000000   13.741729
   Si   O    H 
    32    64    10
Direct configuration=  2821
   0.17677010  0.20941504 -0.01021578
   0.34092142  0.08757077  0.38321755
   0.14524088  0.43605445  0.12539449
   0.39490401  0.33407143  0.25019616
   0.06317284  0.13022298  0.47737462
   0.38570347  0.13818906  0.84871995
   0.11877153  0.36740863  0.62101160
   0.38346265  0.38679310  0.74449009
   0.14203020  0.70972122  0.00770218
   0.40835504  0.57326711  0.36639957
   0.09557852  0.94034597  0.13681884
   0.32795505  0.83433826  0.26618380
   0.15331555  0.59796462  0.48641128
   0.36322626  0.63651624  0.86819235
   0.07653472  0.87077531  0.59009833
   0.35106569  0.99832811  0.66597190
   0.63570935  0.13478112  1.00821525
   0.82672011  0.12098429  0.33975254
   0.62281865  0.40448930  0.11618522
   0.88595339  0.31879203  0.16309054
   0.61637106  0.17614253  0.48807115
   0.90501516  0.11563936  0.88637900
   0.62018966  0.44944156  0.61564104
   0.76999840  0.36647614  0.81503305
   0.60237921  0.66962868  0.00141922
   0.89196893  0.61453113  0.36787451
   0.57313470  0.89320611  0.14302480
   0.84586939  0.85714018  0.23803118
   0.64902797  0.66960200  0.46435218
   0.86368169  0.63931110  0.89862485
   0.65619074  0.92888298  0.63151759
   0.86608715  0.89056336  0.76103212
   0.13264737  0.09696923  0.17248839
   0.35039676  0.18099625  0.27728514
   0.15880486  0.36340600  0.01874844
   0.39844131  0.41025053  0.35706312
   0.54733553  0.33001273  0.20404446
   0.29676391  0.40525528  0.17466342
   0.19571303  0.14241870  0.42093551
  -0.04807457  0.18625442  0.40137092
   0.04842757 -0.02950263  0.50604251
   0.45227331  0.24342630  0.77192850
   0.05630169  0.22796048  0.57606314
   0.35819260  0.47802674  0.83696936
   0.47985377  0.46473435  0.67211857
   0.24552543  0.34094878  0.69220830
   0.24029522  0.21022267 -0.12206085
   0.02613374  0.14997317  0.96882720
   0.13738831  0.59746181  0.10120542
   0.37640553  0.68246508  0.26735636
   0.15969447  0.87116438  0.04310443
   0.35666248  0.92253984  0.36930841
   0.42578745  0.91492958  0.19423105
   0.16246320  0.84312698  0.22342314
   0.30173052  0.62781383  0.44371586
   0.04767511  0.59341012  0.39412114
   0.16844718  0.44994176  0.52540302
   0.29611280  0.70108135  0.76996411
   0.11274228  0.71198875  0.55725596
   0.35479834  1.00671668  0.78671587
   0.48445108  0.92515348  0.63839287
   0.22455679  0.90491952  0.64576145
   0.28665006  0.67277225 -0.03249698
   0.00482018  0.67979583  0.94445098
   0.60826902  0.05052738  0.10423076
   0.83141271  0.19041558  0.23171594
   0.64118748  0.29810100  0.02667219
   0.83303728  0.45675110  0.36358712
   0.03305680  0.37028866  0.19696815
   0.77481928  0.44957464  0.16131646
   0.69964499  0.19190100  0.38937819
   0.46516199  0.15367895  0.45495849
   0.68620664  0.05886845  0.55469869
   0.87730238  0.23749488  0.80745711
   0.63861993  0.32630115  0.54179366
   0.85492769  0.47889506  0.86726444
   1.02033932  0.47162690  0.66681544
   0.74404135  0.42376120  0.70298852
   0.76126136  0.08579108  0.93974990
   0.49395109  0.11154307  0.93485043
   0.54950619  0.54866169  0.07318466
   0.88117083  0.70856032  0.26937991
   0.56782463  0.81317035  0.04203206
   0.84876991  0.95715225  0.33736332
   0.93331373  0.89152533  0.14155418
   0.68126180  0.83457785  0.22278419
   0.79463199  0.70355387  0.42979344
   0.56702755  0.58273749  0.37821284
   0.66823656  0.58403390  0.56679077
   0.85068624  0.74342738  0.80642121
   0.57936273  0.81250252  0.48308950
   0.96040392  0.97895621  0.83731694
   0.95835308  0.88443399  0.66794796
   0.71925369  0.96492948  0.73380304
   0.76334392  0.66541232  0.98564810
   0.52842281  0.66723929  0.89289979
   0.72959231  0.82113016  0.59380977
   0.50922933  0.82750058  0.43281176
   0.85732427  0.27948387  0.05927053
   0.94609743  0.39183823  0.40070276
   0.30375611  0.13028349  0.62077588
   0.28759848  0.79229306  0.73310470
   0.24092352  1.09040043  0.16621180
   0.28300458  1.15428401  0.04706167
   0.64365086  0.34483805  0.84587972
   0.84303133  0.46338831  0.67229575
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916128    0.056155   -0.212224
    -0.000000    9.911789    0.073315
    -0.000000    0.000000   13.742104
   Si   O    H 
    32    64    10
Direct configuration=  2822
   0.17742387  0.21022514 -0.01037703
   0.34039840  0.08894467  0.38257561
   0.14460592  0.43713286  0.12450477
   0.39603184  0.33363606  0.25162513
   0.06298925  0.13074496  0.47645916
   0.38660471  0.13710795  0.84931390
   0.11882416  0.36818858  0.62125123
   0.38238302  0.38679691  0.74466996
   0.14198863  0.70911958  0.00659816
   0.41008683  0.57301736  0.36582530
   0.09578274  0.93966711  0.13725353
   0.32684091  0.83337831  0.26656718
   0.15396368  0.59813241  0.48647941
   0.36560182  0.63682884  0.86727643
   0.07567252  0.87089210  0.59076100
   0.35133055  0.99984084  0.66658277
   0.63586658  0.13374019  1.00896975
   0.82622617  0.12191020  0.33901417
   0.62217484  0.40477654  0.11622098
   0.88430229  0.31863923  0.16396202
   0.61658304  0.17636991  0.48812500
   0.90542626  0.11572895  0.88593737
   0.61904579  0.44999513  0.61568083
   0.77169454  0.36662521  0.81549180
   0.60160255  0.66997069  0.00126126
   0.89178657  0.61441587  0.36744557
   0.57407695  0.89235226  0.14342200
   0.84670140  0.85754833  0.23768909
   0.64724396  0.66832891  0.46308545
   0.86541543  0.64073523  0.89845669
   0.65691744  0.92978185  0.63118046
   0.86667484  0.89251883  0.76071922
   0.13403040  0.09609542  0.17337846
   0.34877213  0.18108759  0.27733772
   0.15894676  0.36494426  0.01849219
   0.39827877  0.40995379  0.35672551
   0.54628490  0.33033489  0.20441628
   0.29650321  0.40310466  0.17376124
   0.19640266  0.14214774  0.42079190
  -0.04894342  0.18472947  0.40125026
   0.04849149 -0.02966323  0.50587620
   0.45379374  0.24314621  0.77160693
   0.05624157  0.22835249  0.57659789
   0.35829852  0.47944917  0.83578108
   0.48042712  0.46336566  0.67211462
   0.24498725  0.34090949  0.69292229
   0.24006696  0.20901313 -0.12267039
   0.02733173  0.15022934  0.96830016
   0.13807325  0.59897338  0.10206132
   0.37600499  0.68224574  0.26876045
   0.15866345  0.87334759  0.04268469
   0.35483805  0.92270279  0.36822060
   0.42345473  0.91421940  0.19272554
   0.16122516  0.84279650  0.22343547
   0.30027480  0.62753891  0.44436059
   0.04808212  0.59374616  0.39476559
   0.16847388  0.45010595  0.52395933
   0.29285157  0.70120189  0.76981533
   0.11182076  0.71164485  0.55711822
   0.35439454  1.00880742  0.78575105
   0.48405492  0.92435009  0.64017431
   0.22471361  0.90543301  0.64569375
   0.28681057  0.67307060 -0.03363607
   0.00559496  0.68028433  0.94357772
   0.60960606  0.04886106  0.10408205
   0.82962852  0.18992154  0.23213376
   0.64107349  0.29938840  0.02571668
   0.83320590  0.45596336  0.36304936
   0.03162867  0.37095312  0.19613573
   0.77474858  0.45044698  0.16128175
   0.69868941  0.18943889  0.38941783
   0.46500832  0.15259273  0.45363443
   0.68707262  0.05681987  0.55483075
   0.87562110  0.23587192  0.80689710
   0.63971482  0.32552432  0.54321604
   0.85564234  0.48169631  0.86857831
   1.02137121  0.47146025  0.66546589
   0.74477383  0.42503435  0.70148926
   0.76004145  0.08600254  0.93913828
   0.49563229  0.11253022  0.93568126
   0.55204061  0.54872577  0.07426354
   0.88186514  0.70722877  0.26918133
   0.56769465  0.81229363  0.04264406
   0.85053768  0.95730404  0.33727725
   0.93310126  0.89231314  0.14197036
   0.68138865  0.83458137  0.22234556
   0.79535095  0.70403134  0.42940037
   0.56716486  0.58417656  0.37847472
   0.66766685  0.58264792  0.56685228
   0.85107880  0.74338112  0.80646264
   0.58028783  0.81257577  0.48338576
   0.95979373  0.97756841  0.83655916
   0.95749046  0.88460184  0.66874518
   0.71904099  0.96576488  0.73538039
   0.76402927  0.66522255  0.98496163
   0.52901578  0.66775925  0.89296531
   0.73454477  0.82969075  0.58697056
   0.50390089  0.83346986  0.43100583
   0.85422801  0.28621450  0.06265339
   0.94045298  0.40470740  0.39531090
   0.29932161  0.12680598  0.62423056
   0.29397058  0.78375832  0.73923977
   0.25104263  1.08811164  0.15999159
   0.29260477  1.15261500  0.03895935
   0.62999039  0.34390729  0.84519104
   0.86690062  0.46883624  0.66792692
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916091    0.055225   -0.211391
    -0.000000    9.912617    0.075058
    -0.000000    0.000000   13.741794
   Si   O    H 
    32    64    10
Direct configuration=  2823
   0.17829080  0.21052581 -0.01048888
   0.33986806  0.09098462  0.38177321
   0.14427796  0.43813192  0.12367059
   0.39805649  0.33290245  0.25273728
   0.06311705  0.13151502  0.47612592
   0.38793704  0.13624541  0.84982853
   0.11905045  0.36901092  0.62084201
   0.38111063  0.38698061  0.74514626
   0.14175719  0.70856746  0.00635465
   0.41136152  0.57361110  0.36500059
   0.09645012  0.93897938  0.13820922
   0.32510390  0.83257306  0.26715048
   0.15418186  0.59817090  0.48619859
   0.36798160  0.63662301  0.86677230
   0.07518074  0.87110650  0.59136298
   0.35126341  1.00153639  0.66748821
   0.63600140  0.13269393  1.00947102
   0.82630694  0.12298427  0.33820611
   0.62233682  0.40583355  0.11663912
   0.88254124  0.31877155  0.16455789
   0.61699536  0.17707474  0.48869374
   0.90596912  0.11567273  0.88528806
   0.61821162  0.45082720  0.61573130
   0.77316072  0.36593078  0.81565049
   0.60093072  0.66992547  0.00064652
   0.89167603  0.61437257  0.36684567
   0.57495167  0.89149560  0.14385184
   0.84729797  0.85753277  0.23770676
   0.64598686  0.66707207  0.46189427
   0.86653596  0.64254170  0.89848719
   0.65708698  0.93081737  0.63025476
   0.86697355  0.89435433  0.76070182
   0.13645597  0.09411848  0.17388117
   0.34827745  0.18161689  0.27748035
   0.15898129  0.36735494  0.01857171
   0.39769863  0.40998318  0.35587697
   0.54482100  0.33046122  0.20369888
   0.29578987  0.40177454  0.17353732
   0.19735831  0.14178505  0.42038587
  -0.05012403  0.18311506  0.40059294
   0.04818437 -0.02898610  0.50525594
   0.45472845  0.24332602  0.77141854
   0.05576996  0.22725114  0.57695750
   0.35849963  0.48034623  0.83575211
   0.48049400  0.46130694  0.67261717
   0.24402896  0.34133413  0.69364314
   0.24057744  0.20789652 -0.12316389
   0.02818600  0.15097054  0.96815640
   0.13912507  0.60046441  0.10255058
   0.37587201  0.68088961  0.26948411
   0.15758256  0.87460818  0.04169616
   0.35272256  0.92315462  0.36740863
   0.42109995  0.91349503  0.19135223
   0.16017688  0.84239047  0.22373253
   0.29909835  0.62850518  0.44522813
   0.04870283  0.59326330  0.39520930
   0.16802147  0.44996846  0.52276164
   0.28952427  0.70093070  0.77036780
   0.11008098  0.71221532  0.55740508
   0.35452875  1.00988652  0.78502388
   0.48440199  0.92315037  0.64176588
   0.22382109  0.90609689  0.64508278
   0.28752285  0.67242289 -0.03532007
   0.00630601  0.68108188  0.94286753
   0.61008383  0.04675692  0.10437517
   0.82820613  0.19006966  0.23240660
   0.64039316  0.30004878  0.02512958
   0.83533534  0.45498557  0.36278632
   0.03051752  0.37157777  0.19534104
   0.77490650  0.45053035  0.16147145
   0.69698511  0.18719098  0.38976538
   0.46380189  0.15067000  0.45204340
   0.68805618  0.05519574  0.55516739
   0.87375251  0.23481524  0.80705647
   0.64042535  0.32396634  0.54474553
   0.85608320  0.48389578  0.87045619
   1.02143977  0.47095682  0.66484884
   0.74573145  0.42607141  0.70007975
   0.75838582  0.08619049  0.93916159
   0.49702384  0.11337365  0.93583830
   0.55475524  0.54930241  0.07485499
   0.88257919  0.70622525  0.26923715
   0.56706287  0.81134430  0.04364590
   0.85184358  0.95762916  0.33729160
   0.93298448  0.89383224  0.14166259
   0.68154081  0.83455189  0.22228588
   0.79557372  0.70484476  0.42966506
   0.56724839  0.58578852  0.37934565
   0.66723030  0.58256285  0.56666969
   0.85133095  0.74291663  0.80618166
   0.58009560  0.81268867  0.48367634
   0.95949856  0.97555935  0.83585105
   0.95804754  0.88451092  0.66935989
   0.71878163  0.96630837  0.73642815
   0.76404245  0.66512080  0.98455976
   0.53003944  0.66870267  0.89321106
   0.74054752  0.83148815  0.58366475
   0.50648452  0.83736165  0.43537641
   0.85620887  0.29039887  0.06466373
   0.91641148  0.41698914  0.38503956
   0.29815627  0.12466947  0.62380230
   0.30020538  0.78787207  0.74093252
   0.24964013  1.08846665  0.15890645
   0.30440167  1.15145347  0.03381803
   0.61759815  0.34062797  0.84566273
   0.89462779  0.47001048  0.66852309
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916079    0.055010   -0.210335
    -0.000000    9.912938    0.077244
    -0.000000    0.000000   13.741184
   Si   O    H 
    32    64    10
Direct configuration=  2824
   0.17948374  0.21012907 -0.01063591
   0.33911212  0.09259900  0.38087558
   0.14414877  0.43933581  0.12272329
   0.40003306  0.33222156  0.25351359
   0.06339204  0.13260453  0.47619684
   0.38965060  0.13587140  0.85024827
   0.11954149  0.36990123  0.62048783
   0.37995161  0.38717561  0.74583461
   0.14129982  0.70841479  0.00613841
   0.41187444  0.57462672  0.36418951
   0.09692821  0.93851605  0.13941662
   0.32396964  0.83204297  0.26772837
   0.15440992  0.59841169  0.48586578
   0.36951085  0.63654130  0.86601668
   0.07457229  0.87047099  0.59188470
   0.35118874  1.00342925  0.66851341
   0.63614391  0.13147890  1.00948690
   0.82659318  0.12382338  0.33729634
   0.62309174  0.40672455  0.11673750
   0.88084719  0.31850595  0.16520939
   0.61788413  0.17785899  0.48936205
   0.90639392  0.11578633  0.88484577
   0.61752159  0.45131511  0.61606778
   0.77432709  0.36580440  0.81577213
   0.60095326  0.66988621 -0.00002428
   0.89114835  0.61401225  0.36637341
   0.57578941  0.89088968  0.14386222
   0.84760460  0.85753173  0.23774679
   0.64504676  0.66573957  0.46081225
   0.86794589  0.64431535  0.89796656
   0.65679169  0.93199112  0.62954355
   0.86762629  0.89673757  0.76097375
   0.13933559  0.09212485  0.17417658
   0.34823641  0.18227263  0.27778424
   0.15797535  0.36837235  0.01864106
   0.39706309  0.41024074  0.35498754
   0.54332990  0.33057465  0.20299780
   0.29432244  0.39978531  0.17351439
   0.19929202  0.14111338  0.41937281
  -0.05095787  0.18146650  0.39938419
   0.04762707 -0.02870229  0.50395247
   0.45611471  0.24353063  0.77136506
   0.05537397  0.22599814  0.57686799
   0.35874935  0.48128727  0.83626675
   0.48025923  0.45978181  0.67321904
   0.24307476  0.34213320  0.69365754
   0.24115382  0.20740951 -0.12349622
   0.02758648  0.15178012  0.96781411
   0.14015008  0.60087755  0.10329863
   0.37557365  0.67879855  0.26994283
   0.15617882  0.87514815  0.04027398
   0.35032334  0.92348143  0.36704807
   0.41943059  0.91309679  0.18943630
   0.16021460  0.84211171  0.22443641
   0.29800071  0.62941733  0.44575726
   0.04927529  0.59303182  0.39576551
   0.16748092  0.44919849  0.52141792
   0.28617398  0.70092533  0.77087141
   0.10829296  0.71356155  0.55826178
   0.35433484  1.01110851  0.78459591
   0.48549412  0.92228385  0.64265340
   0.22271936  0.90669474  0.64395943
   0.28781531  0.67136737 -0.03693403
   0.00742465  0.68130035  0.94313443
   0.61113717  0.04384285  0.10446628
   0.82739458  0.18985192  0.23204705
   0.64036022  0.30067505  0.02458876
   0.83727808  0.45455533  0.36242689
   0.03108736  0.37132528  0.19410669
   0.77512022  0.45108144  0.16184588
   0.69571182  0.18534580  0.38959052
   0.46227097  0.14935466  0.45082200
   0.68821409  0.05446746  0.55488027
   0.87258196  0.23508573  0.80726206
   0.64098880  0.32218363  0.54643454
   0.85699367  0.48552438  0.87183171
   1.01958708  0.47109510  0.66433415
   0.74685971  0.42675132  0.69925834
   0.75751720  0.08730542  0.93944888
   0.49867000  0.11390428  0.93541600
   0.55764632  0.54983773  0.07460828
   0.88278192  0.70604563  0.26955148
   0.56623051  0.81036914  0.04527550
   0.85332392  0.95785931  0.33700251
   0.93322471  0.89585886  0.14152861
   0.68202974  0.83378103  0.22223775
   0.79500887  0.70614662  0.42992353
   0.56699608  0.58758235  0.37994544
   0.66699932  0.58355593  0.56556644
   0.85164697  0.74159957  0.80651188
   0.57933281  0.81297340  0.48372731
   0.95927510  0.97401635  0.83624323
   0.95785435  0.88407515  0.66985381
   0.71967153  0.96717841  0.73768872
   0.76405979  0.66466249  0.98446541
   0.53047183  0.66878100  0.89326089
   0.75103117  0.83182550  0.58119051
   0.51286266  0.83794103  0.44255037
   0.86062269  0.29089338  0.06257312
   0.90196900  0.41778352  0.37808059
   0.29892638  0.12321910  0.61991473
   0.30717771  0.79100726  0.74206202
   0.23285735  1.09238926  0.16136953
   0.31373064  1.14968260  0.03170129
   0.61467887  0.33723886  0.84545648
   0.93453705  0.47067137  0.66877945
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916426    0.054013   -0.209010
    -0.000000    9.913724    0.079066
    -0.000000    0.000000   13.740601
   Si   O    H 
    32    64    10
Direct configuration=  2825
   0.18061695  0.20956751 -0.01161129
   0.33856800  0.09411079  0.38028605
   0.14480537  0.44077390  0.12204046
   0.40157266  0.33122812  0.25382907
   0.06351222  0.13359583  0.47616533
   0.38975263  0.13566875  0.85044953
   0.12013490  0.36985645  0.61998628
   0.37857680  0.38663503  0.74694892
   0.14071835  0.70832480  0.00617676
   0.41090442  0.57618581  0.36382875
   0.09727222  0.93750540  0.14110111
   0.32229516  0.83208001  0.26807310
   0.15432618  0.59856590  0.48527639
   0.37035542  0.63696901  0.86485159
   0.07381576  0.86949135  0.59228053
   0.35106030  1.00521359  0.66956771
   0.63619342  0.13077316  1.00918135
   0.82707705  0.12454094  0.33626038
   0.62420413  0.40744094  0.11675327
   0.87948523  0.31841192  0.16604097
   0.61847468  0.17863081  0.49018452
   0.90680918  0.11598757  0.88456455
   0.61721283  0.45204980  0.61673420
   0.77476178  0.36593239  0.81549702
   0.60068840  0.66956065 -0.00056601
   0.89099612  0.61408096  0.36572286
   0.57620472  0.89093663  0.14391170
   0.84741927  0.85648616  0.23776869
   0.64437891  0.66463152  0.46013974
   0.86929379  0.64561204  0.89734117
   0.65574175  0.93341645  0.62882217
   0.86800165  0.89857125  0.76097679
   0.14158021  0.09048920  0.17376326
   0.34870305  0.18273784  0.27826791
   0.15588462  0.36921151  0.01875271
   0.39613268  0.41116786  0.35372728
   0.54215618  0.33082530  0.20232546
   0.29243954  0.39749718  0.17370621
   0.20094983  0.14102823  0.41847920
  -0.05186750  0.18058741  0.39837937
   0.04712755 -0.02854847  0.50243506
   0.45722014  0.24453172  0.77133130
   0.05672809  0.22512354  0.57639020
   0.35885739  0.48264382  0.83701818
   0.48019735  0.45929845  0.67365747
   0.24128183  0.34282086  0.69386135
   0.24195757  0.20747805 -0.12325720
   0.02606837  0.15256714  0.96738643
   0.14116673  0.60110359  0.10444332
   0.37558694  0.67746157  0.27050647
   0.15452520  0.87443742  0.03877092
   0.34834268  0.92498979  0.36710496
   0.41787602  0.91255089  0.18770357
   0.16143054  0.84146118  0.22533940
   0.29810263  0.62962544  0.44599068
   0.04959195  0.59261264  0.39560834
   0.16745591  0.44737151  0.52045113
   0.28332621  0.70185107  0.77112449
   0.10573737  0.71620597  0.55843174
   0.35428459  1.01173288  0.78491797
   0.48689420  0.92179290  0.64305987
   0.22196224  0.90760914  0.64168907
   0.28793071  0.67050163 -0.03786021
   0.01008162  0.68206172  0.94335165
   0.61295564  0.04108321  0.10410480
   0.82659043  0.19088834  0.23071407
   0.64099554  0.30119243  0.02431865
   0.83617926  0.45652049  0.36076652
   0.03126425  0.37210577  0.19260400
   0.77472398  0.45131512  0.16194924
   0.69454708  0.18295791  0.38954706
   0.46062015  0.14787702  0.45042388
   0.68848452  0.05346235  0.55521404
   0.87111323  0.23510954  0.80674874
   0.64036713  0.31976018  0.54766655
   0.85721473  0.48701052  0.87283577
   1.02038993  0.47154266  0.66413675
   0.74795612  0.42669269  0.69867429
   0.75669469  0.08758610  0.93935693
   0.50013212  0.11370833  0.93495959
   0.55960944  0.54996988  0.07460657
   0.88340493  0.70486212  0.26957353
   0.56543743  0.80988181  0.04673170
   0.85564371  0.95766415  0.33627635
   0.93364184  0.89816390  0.14134854
   0.68306741  0.83282517  0.22169014
   0.79448615  0.70695187  0.43015943
   0.56675631  0.58850890  0.38052613
   0.66671858  0.58503275  0.56512023
   0.85102823  0.74107126  0.80652042
   0.57961941  0.81297507  0.48417422
   0.95901201  0.97272772  0.83652263
   0.95841914  0.88443692  0.67010143
   0.71970193  0.96793618  0.73903992
   0.76423333  0.66453171  0.98440325
   0.53066024  0.66793569  0.89310256
   0.75718559  0.82841892  0.58237186
   0.50561319  0.84701489  0.43928444
   0.86786953  0.28489677  0.05889325
   0.94433124  0.37963118  0.38702484
   0.30572640  0.12398640  0.61641335
   0.31391694  0.78675956  0.74465687
   0.22515427  1.09892303  0.16174420
   0.31386073  1.15035595  0.03152789
   0.62103657  0.33527514  0.84540703
   0.93277404  0.46722719  0.67210074
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916781    0.053223   -0.207662
    -0.000000    9.914889    0.081336
    -0.000000    0.000000   13.740592
   Si   O    H 
    32    64    10
Direct configuration=  2826
   0.18165559  0.20918936 -0.01284896
   0.33853615  0.09561128  0.37999608
   0.14572054  0.44174534  0.12187715
   0.40230577  0.33021539  0.25413231
   0.06431554  0.13493719  0.47596586
   0.38945372  0.13556281  0.85049840
   0.12040645  0.36983830  0.61913957
   0.37792653  0.38591133  0.74749252
   0.14037263  0.70789842  0.00669659
   0.40888137  0.57771198  0.36323666
   0.09773196  0.93631320  0.14289722
   0.32025864  0.83231269  0.26788176
   0.15390096  0.59928048  0.48488444
   0.37080176  0.63761868  0.86408638
   0.07404421  0.86869845  0.59290841
   0.35043408  1.00725965  0.67033234
   0.63597471  0.13072532  1.00851801
   0.82776290  0.12484183  0.33511416
   0.62560413  0.40882151  0.11673225
   0.87859458  0.31871916  0.16722393
   0.61882498  0.17980481  0.49127954
   0.90757788  0.11622988  0.88485027
   0.61742086  0.45208708  0.61766671
   0.77489885  0.36628688  0.81486299
   0.60047310  0.66876597 -0.00090579
   0.89185131  0.61401121  0.36505000
   0.57611105  0.89134211  0.14363617
   0.84756648  0.85510735  0.23780907
   0.64384153  0.66389639  0.46011798
   0.87076724  0.64680328  0.89665994
   0.65414411  0.93458042  0.62805938
   0.86821697  0.89983587  0.76097269
   0.14119043  0.08907768  0.17305188
   0.34954628  0.18212502  0.27918648
   0.15467318  0.36863723  0.01867813
   0.39570412  0.41337487  0.35300343
   0.54134602  0.33104375  0.20091715
   0.29153537  0.39537777  0.17362469
   0.20175369  0.14085331  0.41780014
  -0.05199151  0.18003632  0.39791579
   0.04625251 -0.02874003  0.50059164
   0.45749738  0.24493843  0.77178219
   0.05736990  0.22397931  0.57577806
   0.35861097  0.48319725  0.83813557
   0.47956872  0.45903245  0.67399330
   0.23961247  0.34323245  0.69422867
   0.24402777  0.20789148 -0.12286065
   0.02498317  0.15309777  0.96754887
   0.14273710  0.60191475  0.10573398
   0.37494364  0.67641936  0.27087921
   0.15279945  0.87265701  0.03765932
   0.34684852  0.92645535  0.36768735
   0.41694904  0.91183363  0.18647323
   0.16284609  0.84003832  0.22693863
   0.29989325  0.62979674  0.44633350
   0.04916652  0.59292956  0.39558099
   0.16716212  0.44534945  0.51960773
   0.28067605  0.70218536  0.77128174
   0.10355768  0.71962072  0.55836749
   0.35393099  1.01210109  0.78531989
   0.48846985  0.92114453  0.64383427
   0.22189731  0.90888496  0.63957679
   0.28751268  0.66977740 -0.03855061
   0.01262485  0.68226089  0.94398160
   0.61517644  0.03912881  0.10454729
   0.82647838  0.19238990  0.22922797
   0.64159120  0.30129048  0.02449567
   0.83730828  0.45759820  0.36019499
   0.03126010  0.37263225  0.19083405
   0.77333803  0.45135383  0.16233619
   0.69329764  0.18053560  0.38936797
   0.45918099  0.14653158  0.44999748
   0.68870465  0.05309631  0.55526033
   0.86984247  0.23513377  0.80637318
   0.63961777  0.31758689  0.54882399
   0.85727127  0.48794247  0.87412395
   1.02164600  0.47253053  0.66384058
   0.74817599  0.42686333  0.69871705
   0.75673973  0.08915917  0.93947660
   0.50173299  0.11340679  0.93507375
   0.56195084  0.54980801  0.07444406
   0.88398664  0.70327285  0.26935443
   0.56559044  0.80965206  0.04829955
   0.85734984  0.95793723  0.33499737
   0.93368970  0.90022564  0.14163012
   0.68459379  0.83245796  0.22104769
   0.79424692  0.70791099  0.43082310
   0.56695324  0.58848171  0.38048467
   0.66565678  0.58674631  0.56460499
   0.85036383  0.74084003  0.80623934
   0.58030700  0.81223148  0.48429604
   0.95924981  0.97187911  0.83702617
   0.95927356  0.88468115  0.66982965
   0.71932989  0.96879344  0.73971120
   0.76388590  0.66333445  0.98464413
   0.53018834  0.66698708  0.89292585
   0.75676238  0.82556099  0.58822424
   0.50266111  0.85220355  0.43887088
   0.87799411  0.27919535  0.05884805
   0.96522600  0.35197230  0.38809984
   0.31295839  0.12850676  0.61359571
   0.32154100  0.78519783  0.74831534
   0.25598531  1.11089938  0.15860002
   0.30504661  1.15181630  0.03558610
   0.63545022  0.33323665  0.84374133
   0.90191584  0.46079137  0.67711688
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917093    0.052788   -0.206897
    -0.000000    9.916030    0.084398
    -0.000000    0.000000   13.740177
   Si   O    H 
    32    64    10
Direct configuration=  2827
   0.18179700  0.20930283 -0.01427300
   0.33846958  0.09726532  0.37930690
   0.14719996  0.44237112  0.12256604
   0.40242554  0.32863955  0.25376965
   0.06504796  0.13533910  0.47595604
   0.38939391  0.13600222  0.85062874
   0.12032291  0.36921642  0.61783133
   0.37779585  0.38542781  0.74786683
   0.14104611  0.70786345  0.00766099
   0.40703039  0.57874994  0.36288711
   0.09786978  0.93487630  0.14404522
   0.31919994  0.83249489  0.26744415
   0.15280720  0.59990433  0.48429211
   0.37097845  0.63812860  0.86369148
   0.07459796  0.86714231  0.59345268
   0.34972532  1.00902183  0.67033814
   0.63563593  0.13011756  1.00756994
   0.82819092  0.12545597  0.33413459
   0.62728235  0.41075393  0.11655589
   0.87785027  0.31961163  0.16833568
   0.61933680  0.18067707  0.49211566
   0.90769758  0.11659101  0.88503124
   0.61821033  0.45128759  0.61846984
   0.77522384  0.36649751  0.81408121
   0.60020971  0.66821521 -0.00098885
   0.89268708  0.61315616  0.36467820
   0.57533786  0.89210667  0.14294331
   0.84754980  0.85380789  0.23790860
   0.64470955  0.66423370  0.46043486
   0.87175528  0.64748465  0.89604462
   0.65250211  0.93603215  0.62710354
   0.86795838  0.90028334  0.76109145
   0.14168294  0.08797936  0.17185563
   0.35032172  0.18154393  0.27988526
   0.15346333  0.36799873  0.01835030
   0.39620553  0.41578528  0.35203236
   0.54050357  0.33101877  0.19978977
   0.29020251  0.39359398  0.17422965
   0.20172870  0.14103225  0.41750223
  -0.05086189  0.18045018  0.39796098
   0.04463391 -0.02894170  0.49932329
   0.45753564  0.24467295  0.77258114
   0.05792477  0.22301893  0.57538805
   0.35843491  0.48316049  0.83911868
   0.47910091  0.45880630  0.67404091
   0.23783186  0.34376871  0.69400896
   0.24647116  0.20775904 -0.12247290
   0.02412810  0.15260570  0.96771490
   0.14283667  0.60274556  0.10654959
   0.37481616  0.67631558  0.27138679
   0.15118871  0.87108421  0.03615878
   0.34539175  0.92718457  0.36849196
   0.41593464  0.91129929  0.18449432
   0.16433850  0.83830048  0.22836578
   0.30262379  0.63004867  0.44662776
   0.04878646  0.59334051  0.39508815
   0.16738659  0.44337263  0.51842642
   0.27886851  0.70185394  0.77144643
   0.10081416  0.72164165  0.55822693
   0.35329354  1.01263415  0.78607001
   0.48975610  0.92104504  0.64475071
   0.22183584  0.90984206  0.63778662
   0.28731675  0.66887523 -0.03909760
   0.01543462  0.68222039  0.94448808
   0.61750659  0.03701238  0.10448330
   0.82594797  0.19253634  0.22865340
   0.64268312  0.30072970  0.02568121
   0.83964864  0.45822344  0.35996134
   0.03196034  0.37269453  0.18886944
   0.77249991  0.45068146  0.16251971
   0.69202653  0.17774898  0.38874335
   0.45782045  0.14528152  0.45004850
   0.68870054  0.05318581  0.55466325
   0.86836152  0.23455674  0.80624607
   0.63853444  0.31599988  0.55027936
   0.85753858  0.48884229  0.87531565
   1.02048157  0.47411096  0.66373730
   0.74813434  0.42626617  0.69916500
   0.75672094  0.09045438  0.93941702
   0.50328345  0.11339680  0.93567300
   0.56360646  0.54950630  0.07423423
   0.88448000  0.70124696  0.26808055
   0.56512959  0.80896044  0.04985733
   0.85906196  0.95832863  0.33367866
   0.93390456  0.90247613  0.14178616
   0.68601567  0.83218517  0.22087240
   0.79398151  0.70847990  0.43157071
   0.56721420  0.58886334  0.38059752
   0.66410196  0.58826005  0.56360511
   0.84939358  0.74156952  0.80573711
   0.58106393  0.81091390  0.48395777
   0.95956408  0.97092109  0.83798774
   0.96018904  0.88496764  0.66944706
   0.71956571  0.96959428  0.74042701
   0.76302421  0.66282931  0.98478655
   0.52883991  0.66646666  0.89265028
   0.75288095  0.82642458  0.59648135
   0.50745919  0.85415358  0.44133525
   0.88802176  0.27484974  0.06125763
   0.96944941  0.33318442  0.38430131
   0.32451738  0.13219357  0.61206845
   0.32461333  0.78431585  0.75018045
   0.27103634  1.11992940  0.15630046
   0.29399526  1.15257063  0.04339112
   0.65043564  0.33407047  0.84440670
   0.88180192  0.45397499  0.67873081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917789    0.052082   -0.206706
    -0.000000    9.917199    0.086962
    -0.000000    0.000000   13.739860
   Si   O    H 
    32    64    10
Direct configuration=  2828
   0.18181667  0.20884649 -0.01557018
   0.33778698  0.09866128  0.37847984
   0.14927397  0.44234839  0.12346218
   0.40200315  0.32707516  0.25329130
   0.06603605  0.13494001  0.47624354
   0.38976565  0.13640215  0.85111628
   0.12050442  0.36833442  0.61638131
   0.37777284  0.38455458  0.74841812
   0.14220933  0.70799761  0.00885664
   0.40561006  0.57971646  0.36237910
   0.09760586  0.93363772  0.14464569
   0.31879929  0.83311810  0.26680255
   0.15155913  0.60065515  0.48424788
   0.37110252  0.63858741  0.86309758
   0.07520018  0.86616604  0.59413718
   0.34915412  1.01000777  0.67048167
   0.63500481  0.12982115  1.00648327
   0.82858234  0.12494925  0.33348095
   0.62778534  0.41208825  0.11603128
   0.87794578  0.32060954  0.16942429
   0.61952222  0.18114567  0.49227793
   0.90824841  0.11603979  0.88549767
   0.61954482  0.45076339  0.61905022
   0.77574505  0.36705437  0.81323588
   0.60043618  0.66752230 -0.00118411
   0.89280448  0.61269951  0.36441169
   0.57453128  0.89305953  0.14260709
   0.84755851  0.85279605  0.23821080
   0.64624806  0.66447146  0.46040943
   0.87263859  0.64809093  0.89542518
   0.65090130  0.93689377  0.62645499
   0.86712402  0.90032196  0.76132130
   0.14276253  0.08749853  0.17065842
   0.35138298  0.18020921  0.28073762
   0.15226692  0.36719508  0.01782555
   0.39690785  0.41871090  0.35150700
   0.53940429  0.33128473  0.19868021
   0.28942766  0.39284814  0.17494857
   0.20088912  0.14285849  0.41727635
  -0.04886020  0.18176985  0.39830137
   0.04274586 -0.02861349  0.49827610
   0.45809954  0.24484909  0.77299594
   0.05851982  0.22247607  0.57531270
   0.35880125  0.48261304  0.83965499
   0.47827423  0.45865852  0.67404721
   0.23605791  0.34414212  0.69339233
   0.24850120  0.20733358 -0.12211360
   0.02302813  0.15206869  0.96733011
   0.14292617  0.60320980  0.10693196
   0.37386893  0.67650921  0.27250229
   0.15008023  0.86893404  0.03516771
   0.34360159  0.92805373  0.36860715
   0.41558609  0.91036382  0.18241915
   0.16646127  0.83599338  0.23001994
   0.30544264  0.63033849  0.44687354
   0.04824554  0.59448183  0.39472348
   0.16795925  0.44114425  0.51712706
   0.27817490  0.70141881  0.77192007
   0.09875573  0.72236425  0.55768402
   0.35298276  1.01186713  0.78639329
   0.49105295  0.92116295  0.64587454
   0.22218243  0.91112031  0.63630996
   0.28671963  0.66785210 -0.03946103
   0.01718768  0.68150194  0.94445931
   0.62047032  0.03597954  0.10416775
   0.82528814  0.19217268  0.22830198
   0.64398776  0.30019095  0.02697685
   0.84199371  0.45778883  0.36002596
   0.03222914  0.37317816  0.18725431
   0.77180738  0.45079647  0.16331962
   0.69144989  0.17554910  0.38826347
   0.45709632  0.14436141  0.44995435
   0.68922867  0.05407050  0.55400609
   0.86763987  0.23431680  0.80630916
   0.63831997  0.31523883  0.55167183
   0.85695715  0.48920100  0.87643127
   1.01849709  0.47527485  0.66357648
   0.74865428  0.42626882  0.69959410
   0.75824064  0.09149216  0.93972584
   0.50494907  0.11276231  0.93633414
   0.56497455  0.54893391  0.07435872
   0.88523794  0.70089773  0.26651028
   0.56461936  0.80753971  0.05165902
   0.86075770  0.95844841  0.33191980
   0.93347194  0.90404769  0.14197704
   0.68699738  0.83245657  0.22022427
   0.79287472  0.70884289  0.43196480
   0.56757768  0.58918248  0.38028327
   0.66231466  0.58930560  0.56290403
   0.84758592  0.74267642  0.80500441
   0.58133677  0.80974936  0.48357337
   0.95985928  0.97146680  0.83928091
   0.96172841  0.88532856  0.66874634
   0.71956136  0.97012970  0.74068482
   0.76221833  0.66260925  0.98534708
   0.52880874  0.66643399  0.89238104
   0.74570462  0.82883632  0.60464540
   0.51634484  0.85164830  0.44522020
   0.89676812  0.27273400  0.06814410
   0.96136671  0.31526994  0.37890359
   0.33746173  0.13573083  0.61158355
   0.32493593  0.78223435  0.75103398
   0.26760272  1.12617843  0.15631210
   0.28574071  1.15272608  0.05405462
   0.65020438  0.33088635  0.84700850
   0.87013301  0.44440222  0.67746502
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918193    0.051029   -0.206298
    -0.000000    9.918201    0.089941
    -0.000000    0.000000   13.739212
   Si   O    H 
    32    64    10
Direct configuration=  2829
   0.18150887  0.20820797 -0.01717000
   0.33805103  0.10001223  0.37814816
   0.15062302  0.44210918  0.12422272
   0.40126856  0.32557199  0.25267648
   0.06682662  0.13442426  0.47712213
   0.39086312  0.13661345  0.85125569
   0.12037863  0.36764422  0.61512315
   0.37784800  0.38388542  0.74845372
   0.14310985  0.70799719  0.01018918
   0.40414554  0.57975680  0.36213724
   0.09753788  0.93291625  0.14515603
   0.31801688  0.83363795  0.26643769
   0.15027972  0.60174505  0.48438476
   0.37128051  0.63875382  0.86268262
   0.07498323  0.86533379  0.59440973
   0.34905570  1.01044972  0.67022267
   0.63467282  0.12958339  1.00530968
   0.82890350  0.12451746  0.33270827
   0.62850114  0.41312087  0.11581886
   0.87826857  0.32117357  0.16990493
   0.62020759  0.18173837  0.49283437
   0.90922629  0.11549803  0.88635705
   0.62068856  0.45070651  0.61978705
   0.77674884  0.36785954  0.81282424
   0.60114265  0.66722357 -0.00140207
   0.89260692  0.61204833  0.36442875
   0.57313807  0.89403188  0.14298976
   0.84742862  0.85236741  0.23851950
   0.64812765  0.66511423  0.46063606
   0.87365460  0.64912083  0.89507777
   0.64915092  0.93763737  0.62598330
   0.86631738  0.90009988  0.76151459
   0.14328183  0.08709797  0.16912803
   0.35254634  0.17826487  0.28119298
   0.15135884  0.36584402  0.01726342
   0.39750334  0.42030986  0.35063462
   0.53932465  0.33167963  0.19724204
   0.28934142  0.39225185  0.17577975
   0.19910618  0.14453508  0.41732474
  -0.04710684  0.18308651  0.39796762
   0.04132488 -0.02816366  0.49768117
   0.45903057  0.24483645  0.77414623
   0.05974725  0.22141474  0.57548112
   0.35924232  0.48201506  0.83995169
   0.47728045  0.45816814  0.67394009
   0.23508219  0.34379140  0.69340345
   0.25075632  0.20691635 -0.12173065
   0.02307246  0.15270381  0.96715311
   0.14293966  0.60306214  0.10685058
   0.37182337  0.67698451  0.27325105
   0.14957976  0.86709115  0.03464815
   0.34207615  0.92809509  0.36860760
   0.41558479  0.90919877  0.18084643
   0.16840573  0.83396187  0.23111255
   0.30807140  0.63077654  0.44758842
   0.04801530  0.59660239  0.39425329
   0.16828568  0.43880285  0.51574242
   0.27871454  0.70204969  0.77255611
   0.09744370  0.72221352  0.55715459
   0.35214307  1.01099426  0.78668470
   0.49208938  0.92147041  0.64685330
   0.22321149  0.91240186  0.63525012
   0.28634514  0.66699172 -0.03944159
   0.01873616  0.68032443  0.94404229
   0.62414795  0.03608580  0.10415298
   0.82408476  0.19181386  0.22868081
   0.64452479  0.29882715  0.02774241
   0.84388023  0.45711528  0.35983599
   0.03240891  0.37408797  0.18588973
   0.77123260  0.45142532  0.16435977
   0.69085731  0.17322539  0.38772218
   0.45645332  0.14302675  0.45032807
   0.68881013  0.05517825  0.55295525
   0.86688289  0.23400931  0.80568373
   0.63778206  0.31526741  0.55299282
   0.85617379  0.48922210  0.87675057
   1.01569652  0.47592385  0.66357711
   0.74938981  0.42667568  0.70023480
   0.76020286  0.09257813  0.93979729
   0.50569566  0.11188309  0.93638423
   0.56566699  0.54842716  0.07516024
   0.88568592  0.70116564  0.26472982
   0.56387712  0.80526752  0.05268960
   0.86222788  0.95921809  0.32998411
   0.93273933  0.90595881  0.14219403
   0.68742536  0.83344402  0.21902300
   0.79228428  0.70950073  0.43256474
   0.56783496  0.58971074  0.38027386
   0.65996707  0.58975008  0.56235820
   0.84584199  0.74391510  0.80345880
   0.58199014  0.80831664  0.48349287
   0.96108913  0.97199510  0.84114901
   0.96298467  0.88613089  0.66858511
   0.71872603  0.97111172  0.74054641
   0.76133104  0.66256409  0.98573686
   0.52899429  0.66625306  0.89190417
   0.73983548  0.82525244  0.61400939
   0.51741269  0.85619753  0.44298055
   0.90316996  0.26844864  0.07579453
   0.94745673  0.30490789  0.37424473
   0.34793756  0.13749341  0.61179335
   0.32405332  0.78259150  0.74890229
   0.25535530  1.12376186  0.16122087
   0.27468737  1.15114997  0.06448713
   0.64206739  0.33164758  0.84980388
   0.86320525  0.43507363  0.67326844
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918427    0.049573   -0.205828
    -0.000000    9.919218    0.093129
    -0.000000    0.000000   13.738930
   Si   O    H 
    32    64    10
Direct configuration=  2830
   0.18098527  0.20841296 -0.01844857
   0.33811683  0.10102608  0.37837675
   0.15168568  0.44149698  0.12470807
   0.40086907  0.32476845  0.25168489
   0.06794963  0.13354140  0.47805250
   0.39217746  0.13679283  0.85169048
   0.12014291  0.36664534  0.61446446
   0.37736993  0.38310834  0.74871442
   0.14434468  0.70752611  0.01183035
   0.40282189  0.57941320  0.36186272
   0.09760115  0.93228010  0.14575032
   0.31780261  0.83413162  0.26648749
   0.14939228  0.60300095  0.48465936
   0.37130360  0.63915499  0.86217708
   0.07540748  0.86492567  0.59478909
   0.34911920  1.01038285  0.66948943
   0.63460254  0.12933891  1.00440283
   0.82903928  0.12373426  0.33264081
   0.62887306  0.41389803  0.11562768
   0.87860454  0.32196497  0.17067263
   0.62060966  0.18209586  0.49311671
   0.91013028  0.11473448  0.88750552
   0.62115835  0.45068233  0.62043480
   0.77744887  0.36899976  0.81308068
   0.60256204  0.66661190 -0.00163928
   0.89218965  0.61171039  0.36439024
   0.57194224  0.89526598  0.14366194
   0.84720238  0.85189511  0.23903128
   0.65005708  0.66553347  0.46102921
   0.87423658  0.65004479  0.89514861
   0.64717240  0.93783758  0.62568605
   0.86510934  0.89925750  0.76139917
   0.14348627  0.08740408  0.16739372
   0.35227583  0.17667789  0.28041688
   0.15072760  0.36548292  0.01682239
   0.39769660  0.42185074  0.34980433
   0.53993982  0.33170820  0.19594608
   0.28944871  0.39156406  0.17692195
   0.19666734  0.14635267  0.41811303
  -0.04600304  0.18438390  0.39756944
   0.04019347 -0.02806067  0.49793386
   0.45988983  0.24497560  0.77484712
   0.06031722  0.22076599  0.57528600
   0.35926422  0.48088119  0.84067832
   0.47589789  0.45852773  0.67346136
   0.23411701  0.34296713  0.69348395
   0.25200972  0.20686063 -0.12123047
   0.02318654  0.15252972  0.96702780
   0.14367174  0.60266729  0.10686435
   0.36957053  0.67801690  0.27402950
   0.14918383  0.86640845  0.03436441
   0.34153591  0.92793984  0.36845414
   0.41564375  0.90711921  0.17905148
   0.16989922  0.83217871  0.23198829
   0.31045430  0.63131254  0.44851042
   0.04747383  0.59928685  0.39446521
   0.16867152  0.43763084  0.51436793
   0.27967413  0.70297815  0.77365116
   0.09687766  0.72194331  0.55632531
   0.35105717  1.01043703  0.78680741
   0.49210253  0.92232098  0.64875235
   0.22453341  0.91399129  0.63418369
   0.28632080  0.66659601 -0.04022510
   0.01935905  0.67844018  0.94315846
   0.62786706  0.03652941  0.10381956
   0.82257803  0.19133093  0.22944225
   0.64471784  0.29659830  0.02871802
   0.84523008  0.45638348  0.35977593
   0.03237942  0.37551088  0.18520725
   0.77183346  0.45094033  0.16492783
   0.69099262  0.17097268  0.38701039
   0.45714974  0.14112917  0.45062104
   0.68926860  0.05593749  0.55193392
   0.86645062  0.23319853  0.80476153
   0.63653579  0.31488954  0.55397808
   0.85556076  0.48879503  0.87698959
   1.01288630  0.47577022  0.66395505
   0.75041312  0.42679241  0.70056876
   0.76253507  0.09359153  0.94004926
   0.50578684  0.11094106  0.93656033
   0.56616199  0.54797729  0.07627670
   0.88648610  0.70120570  0.26330241
   0.56324013  0.80249687  0.05283876
   0.86327132  0.95985882  0.32782068
   0.93136652  0.90798636  0.14248689
   0.68739585  0.83456070  0.21801268
   0.79265309  0.70998966  0.43257758
   0.56791354  0.59002321  0.38011702
   0.65749713  0.58928238  0.56256766
   0.84347702  0.74610721  0.80227919
   0.58240618  0.80738334  0.48281952
   0.96262940  0.97335007  0.84311825
   0.96369047  0.88729865  0.66911091
   0.71808996  0.97238888  0.74069886
   0.76110132  0.66293781  0.98569301
   0.52916655  0.66565833  0.89134423
   0.73430017  0.81795079  0.61744931
   0.51566057  0.86080463  0.43896218
   0.90686081  0.26499781  0.08143762
   0.93124317  0.30051512  0.37087112
   0.35670565  0.13750950  0.61600899
   0.32103961  0.78346108  0.74345505
   0.23037009  1.11826400  0.16902724
   0.25985505  1.15060419  0.07013142
   0.63570098  0.33346858  0.85155786
   0.86557725  0.42801654  0.66779221
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918752    0.048247   -0.205355
    -0.000000    9.920700    0.095813
    -0.000000    0.000000   13.739317
   Si   O    H 
    32    64    10
Direct configuration=  2831
   0.18040122  0.20824119 -0.01961978
   0.33793173  0.10170442  0.37894506
   0.15259514  0.44057867  0.12448977
   0.40098062  0.32457292  0.25067303
   0.06878019  0.13234748  0.47909388
   0.39365112  0.13751493  0.85207606
   0.11986876  0.36548584  0.61406636
   0.37679733  0.38240851  0.74911027
   0.14613572  0.70717320  0.01286356
   0.40172330  0.57865327  0.36201197
   0.09803368  0.93165752  0.14611186
   0.31828557  0.83525154  0.26681574
   0.14891254  0.60364591  0.48475121
   0.37109007  0.63924117  0.86186134
   0.07631985  0.86476323  0.59496976
   0.34941933  1.00983755  0.66852983
   0.63428114  0.12989736  1.00362750
   0.82932056  0.12316668  0.33284132
   0.62871427  0.41422306  0.11544505
   0.87948337  0.32273097  0.17132262
   0.62057825  0.18214894  0.49280595
   0.91029411  0.11421090  0.88861639
   0.62121939  0.45062292  0.62086796
   0.77812227  0.37001462  0.81373185
   0.60360041  0.66611674 -0.00167767
   0.89184523  0.61161351  0.36416396
   0.57108594  0.89623699  0.14455638
   0.84678436  0.85145906  0.23958673
   0.65113032  0.66653558  0.46191844
   0.87538007  0.65052741  0.89514472
   0.64589048  0.93746169  0.62511062
   0.86378772  0.89832815  0.76143837
   0.14291113  0.08715843  0.16569262
   0.35175466  0.17522720  0.27840287
   0.15061525  0.36493620  0.01635920
   0.39733375  0.42328569  0.34869924
   0.54121252  0.33040273  0.19491334
   0.28955022  0.39123581  0.17769737
   0.19395254  0.14783252  0.41946163
  -0.04521310  0.18628328  0.39712188
   0.03963398 -0.02835511  0.49874762
   0.46091122  0.24501833  0.77567848
   0.06013599  0.21963638  0.57499268
   0.35957918  0.47887562  0.84145978
   0.47426825  0.45949196  0.67332373
   0.23337298  0.34202845  0.69382504
   0.25321664  0.20659922 -0.12088395
   0.02306152  0.15313861  0.96676032
   0.14416465  0.60290787  0.10699505
   0.36777714  0.67878923  0.27489275
   0.14885770  0.86608276  0.03431102
   0.34125052  0.92731800  0.36807927
   0.41592935  0.90577013  0.17770142
   0.17015028  0.83051114  0.23261520
   0.31197070  0.63190936  0.44870386
   0.04652633  0.60126813  0.39435911
   0.16909621  0.43740129  0.51335397
   0.28043562  0.70328170  0.77415107
   0.09590291  0.72040532  0.55483945
   0.35043201  1.00935266  0.78643830
   0.49223128  0.92295725  0.65069665
   0.22566570  0.91555881  0.63347500
   0.28596682  0.66605753 -0.04055814
   0.01941783  0.67660592  0.94266089
   0.63111516  0.03768634  0.10294178
   0.82210547  0.19031664  0.22993628
   0.64516716  0.29413135  0.02991816
   0.84657069  0.45582100  0.35975410
   0.03242120  0.37663902  0.18447612
   0.77207913  0.44988243  0.16600735
   0.69092016  0.16909348  0.38651376
   0.45781967  0.13992089  0.45046501
   0.68962219  0.05690699  0.55036461
   0.86531214  0.23309672  0.80357712
   0.63545860  0.31421457  0.55539790
   0.85406383  0.48893082  0.87669816
   1.01010690  0.47488664  0.66421412
   0.75174905  0.42730930  0.70114789
   0.76544448  0.09386062  0.93991900
   0.50556846  0.10955304  0.93619228
   0.56572817  0.54833787  0.07727706
   0.88669322  0.70097569  0.26164424
   0.56306070  0.79987211  0.05286548
   0.86472100  0.96061751  0.32599592
   0.93009123  0.91014745  0.14312464
   0.68739792  0.83614876  0.21745642
   0.79347024  0.71127747  0.43234921
   0.56857307  0.59015297  0.37991195
   0.65446807  0.58933574  0.56296792
   0.84110925  0.74781723  0.80119019
   0.58272775  0.80766586  0.48179458
   0.96415273  0.97474518  0.84521883
   0.96369463  0.88740274  0.67049329
   0.71756238  0.97368621  0.74080187
   0.76180656  0.66314329  0.98554052
   0.52934667  0.66559554  0.89045544
   0.72941707  0.80844860  0.61942096
   0.51742056  0.85833527  0.43830130
   0.90996847  0.26254240  0.08248573
   0.91366681  0.30351362  0.36851035
   0.36249408  0.13470148  0.62101818
   0.31607362  0.78244214  0.73800142
   0.21580193  1.11424871  0.17895446
   0.24745920  1.15119457  0.06944756
   0.63298979  0.33937751  0.85003740
   0.87883189  0.42580987  0.66200184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918626    0.047309   -0.205086
    -0.000000    9.922407    0.098624
    -0.000000    0.000000   13.739283
   Si   O    H 
    32    64    10
Direct configuration=  2832
   0.18031354  0.20917948 -0.02068633
   0.33805713  0.10176734  0.37936943
   0.15316508  0.43956396  0.12352922
   0.40038219  0.32479071  0.24995760
   0.06944007  0.13070866  0.48017649
   0.39518088  0.13809170  0.85210895
   0.11932355  0.36477081  0.61381481
   0.37601795  0.38123082  0.74934166
   0.14775894  0.70661326  0.01373365
   0.40100722  0.57837491  0.36248943
   0.09826973  0.93066062  0.14626151
   0.31892484  0.83599785  0.26744455
   0.14831382  0.60410724  0.48478675
   0.37008854  0.63905466  0.86156817
   0.07737177  0.86483047  0.59519940
   0.34929273  1.00910249  0.66802662
   0.63415774  0.13061755  1.00319800
   0.82916679  0.12195353  0.33271156
   0.62868226  0.41447511  0.11563833
   0.87991358  0.32371680  0.17208814
   0.61953356  0.18175738  0.49242490
   0.91026011  0.11378990  0.88943658
   0.62152650  0.45026277  0.62141721
   0.77895773  0.37096949  0.81422868
   0.60445442  0.66580463 -0.00172522
   0.89093618  0.61213873  0.36357159
   0.57032167  0.89719279  0.14524352
   0.84626473  0.85078200  0.24007155
   0.65239549  0.66763725  0.46282468
   0.87620181  0.65010776  0.89492740
   0.64552566  0.93648385  0.62513448
   0.86319507  0.89753993  0.76115262
   0.13971111  0.08578910  0.16336748
   0.35193235  0.17307711  0.27617780
   0.15047925  0.36468588  0.01622288
   0.39789114  0.42292235  0.34768615
   0.54178199  0.32991653  0.19427263
   0.28958388  0.39109151  0.17881124
   0.19224487  0.14799116  0.42034433
  -0.04470708  0.18846990  0.39702697
   0.03928349 -0.02830125  0.50005304
   0.46126737  0.24525773  0.77641864
   0.06027377  0.21899513  0.57470936
   0.35964794  0.47691992  0.84238405
   0.47290583  0.46013101  0.67323944
   0.23299868  0.34095494  0.69454635
   0.25354779  0.20628340 -0.12006390
   0.02370899  0.15340712  0.96656699
   0.14510336  0.60284052  0.10721508
   0.36634828  0.67931111  0.27530946
   0.14870647  0.86601445  0.03473996
   0.34116760  0.92672714  0.36803969
   0.41588895  0.90437790  0.17682158
   0.17019332  0.82940425  0.23304545
   0.31250105  0.63205482  0.44931524
   0.04637509  0.60347605  0.39433693
   0.16979033  0.43786778  0.51241629
   0.28125894  0.70429958  0.77430283
   0.09505258  0.71880484  0.55296185
   0.35017991  1.00895965  0.78645087
   0.49150156  0.92356906  0.65251237
   0.22631172  0.91645412  0.63304264
   0.28591930  0.66559563 -0.04085812
   0.02009670  0.67528474  0.94194585
   0.63427861  0.03857053  0.10233313
   0.82122876  0.18941798  0.22955212
   0.64489258  0.29158360  0.03131565
   0.84769815  0.45459697  0.35986408
   0.03260340  0.37788158  0.18412441
   0.77252269  0.44860351  0.16709386
   0.69115646  0.16684098  0.38569886
   0.45876575  0.13837681  0.45031393
   0.69003179  0.05764566  0.54894576
   0.86429287  0.23244028  0.80250661
   0.63401584  0.31355047  0.55618405
   0.85320249  0.48916981  0.87645505
   1.00710687  0.47385471  0.66407597
   0.75303153  0.42787691  0.70143773
   0.76792477  0.09273977  0.93978955
   0.50472261  0.10775506  0.93615814
   0.56453000  0.54865211  0.07767115
   0.88745616  0.70039836  0.25981340
   0.56293180  0.79779386  0.05307246
   0.86574018  0.96118225  0.32431020
   0.92931585  0.91180225  0.14387411
   0.68770399  0.83683644  0.21720636
   0.79534167  0.71220238  0.43141013
   0.56831080  0.59035965  0.37982244
   0.65152000  0.58882944  0.56389208
   0.83886377  0.74927499  0.80086208
   0.58289900  0.80771990  0.48043000
   0.96522136  0.97651687  0.84688868
   0.96404489  0.88803642  0.67175791
   0.71775305  0.97532184  0.74119168
   0.76317476  0.66410003  0.98548185
   0.52991158  0.66588886  0.88980540
   0.72723200  0.80265031  0.62149290
   0.51907192  0.85372948  0.43768851
   0.91062466  0.25748874  0.07874536
   0.90000514  0.31824709  0.36945464
   0.36626681  0.13820184  0.62457100
   0.31210167  0.77647887  0.73489316
   0.24684078  1.12650216  0.19544700
   0.23748587  1.15084943  0.06353760
   0.63672679  0.35029595  0.84709559
   0.90171705  0.42767575  0.65979407
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918491    0.047091   -0.204189
    -0.000000    9.924146    0.101012
    -0.000000    0.000000   13.739505
   Si   O    H 
    32    64    10
Direct configuration=  2833
   0.17973889  0.21068552 -0.02166774
   0.33902583  0.10127256  0.38007830
   0.15376641  0.43859463  0.12256009
   0.39993491  0.32529130  0.24919285
   0.06950821  0.12905241  0.48154591
   0.39623847  0.13920639  0.85193998
   0.11814653  0.36424148  0.61331786
   0.37582140  0.38025392  0.74934905
   0.14951151  0.70583661  0.01437411
   0.40085549  0.57801850  0.36288517
   0.09810473  0.92898524  0.14635043
   0.32038098  0.83702554  0.26812992
   0.14863627  0.60316673  0.48464451
   0.36879117  0.63875537  0.86120379
   0.07843909  0.86514471  0.59529610
   0.35010073  1.00846422  0.66811756
   0.63394738  0.13105512  1.00307893
   0.82933131  0.12068001  0.33245280
   0.62840014  0.41363763  0.11602091
   0.88024453  0.32373694  0.17287680
   0.61928964  0.18043822  0.49150183
   0.90981394  0.11394094  0.89010708
   0.62229962  0.45031518  0.62209887
   0.77962241  0.37227686  0.81441837
   0.60431190  0.66592411 -0.00178420
   0.89053994  0.61268390  0.36294917
   0.56999311  0.89775725  0.14582518
   0.84635820  0.85018165  0.24038094
   0.65350220  0.66864697  0.46354686
   0.87650671  0.64927764  0.89518938
   0.64504327  0.93614805  0.62505143
   0.86241500  0.89742827  0.76101056
   0.13719632  0.08443143  0.16167777
   0.35167780  0.17169767  0.27332980
   0.15062762  0.36483679  0.01565590
   0.39852377  0.42212599  0.34611177
   0.54226492  0.33001502  0.19363591
   0.28955188  0.39148335  0.18006233
   0.19214050  0.14899032  0.42092020
  -0.04440865  0.19009940  0.39692679
   0.03812580 -0.02873529  0.50181007
   0.46228801  0.24545267  0.77720277
   0.06078781  0.21796735  0.57526299
   0.36030857  0.47494216  0.84250920
   0.47159081  0.46068966  0.67234598
   0.23254051  0.33953199  0.69504241
   0.25389530  0.20562462 -0.11937679
   0.02436311  0.15358812  0.96612170
   0.14555126  0.60280598  0.10804174
   0.36501953  0.67978161  0.27554913
   0.14859283  0.86590745  0.03564482
   0.34090498  0.92676414  0.36808742
   0.41496998  0.90260803  0.17645612
   0.16997769  0.82816317  0.23318086
   0.31212647  0.63265580  0.45044716
   0.04590990  0.60555610  0.39448415
   0.17088468  0.43879688  0.51150483
   0.28147418  0.70549433  0.77400634
   0.09332112  0.71681445  0.55162925
   0.34966258  1.00820749  0.78683262
   0.48990937  0.92435918  0.65400348
   0.22645919  0.91731259  0.63232490
   0.28563385  0.66609336 -0.04102081
   0.02163159  0.67414199  0.94142247
   0.63634926  0.04000246  0.10207567
   0.82071911  0.18913035  0.22800589
   0.64526851  0.28958910  0.03280867
   0.84963219  0.45308768  0.36034477
   0.03210798  0.37871918  0.18388905
   0.77319843  0.44761144  0.16822280
   0.69163936  0.16503428  0.38525935
   0.45896576  0.13767553  0.45073693
   0.69129074  0.05821281  0.54768842
   0.86315215  0.23072120  0.80205416
   0.63318811  0.31304417  0.55666528
   0.85263504  0.48901194  0.87598989
   1.00444887  0.47157527  0.66390235
   0.75415323  0.42846222  0.70129789
   0.76911951  0.09181417  0.93944483
   0.50274762  0.10553274  0.93607958
   0.56284026  0.54892230  0.07887737
   0.88861721  0.69993885  0.25914991
   0.56166714  0.79655043  0.05419578
   0.86678772  0.96198045  0.32264634
   0.92848215  0.91345273  0.14520069
   0.68725068  0.83735876  0.21697814
   0.79765227  0.71204258  0.43019901
   0.56851682  0.59037141  0.37963485
   0.64896229  0.58838166  0.56440790
   0.83729650  0.74995178  0.80095142
   0.58386302  0.80792071  0.47955227
   0.96558940  0.97772154  0.84784061
   0.96400348  0.88838980  0.67311037
   0.71783949  0.97650837  0.74106536
   0.76479615  0.66461949  0.98587994
   0.52951054  0.66516058  0.88903435
   0.72269482  0.80166507  0.62259223
   0.51973624  0.84818244  0.43864469
   0.90562224  0.25764076  0.07431893
   0.88443427  0.34409309  0.37381695
   0.37163938  0.14318589  0.62603149
   0.31026322  0.77576217  0.72940160
   0.26828986  1.13110644  0.20953535
   0.23399205  1.14782022  0.05899432
   0.64218422  0.36127642  0.84523035
   0.93239878  0.43895356  0.65789705
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918048    0.046770   -0.204078
    -0.000000    9.926307    0.103312
    -0.000000    0.000000   13.739929
   Si   O    H 
    32    64    10
Direct configuration=  2834
   0.17793546  0.21211393 -0.02229006
   0.33999471  0.10032553  0.38068072
   0.15458983  0.43749645  0.12139677
   0.40014763  0.32564888  0.24829689
   0.06928227  0.12681111  0.48269248
   0.39778798  0.14056562  0.85186694
   0.11680764  0.36378774  0.61306681
   0.37561373  0.37938183  0.74939763
   0.15153734  0.70525544  0.01501182
   0.40132296  0.57742009  0.36348436
   0.09713296  0.92767782  0.14694517
   0.32214968  0.83840998  0.26829319
   0.14992227  0.60220571  0.48432170
   0.36719409  0.63880984  0.86105563
   0.07900919  0.86639433  0.59435227
   0.35142864  1.00815825  0.66874801
   0.63410592  0.13120379  1.00290846
   0.82936469  0.11883601  0.33225762
   0.62833217  0.41191830  0.11645350
   0.88084264  0.32372863  0.17378464
   0.61896551  0.17892000  0.49077221
   0.90946881  0.11468128  0.89020407
   0.62322534  0.45002996  0.62318240
   0.78044587  0.37371003  0.81494288
   0.60397299  0.66602701 -0.00169923
   0.89010641  0.61297734  0.36211692
   0.56987806  0.89810034  0.14605871
   0.84677872  0.85007195  0.24042874
   0.65444074  0.66953293  0.46446748
   0.87632334  0.64927475  0.89551180
   0.64480057  0.93554408  0.62556477
   0.86152314  0.89797522  0.76134449
   0.13531297  0.08321066  0.16026887
   0.35151321  0.17029110  0.27105894
   0.14974130  0.36516550  0.01527752
   0.39939205  0.41990216  0.34460284
   0.54206100  0.33021109  0.19377857
   0.28980271  0.39218893  0.18055507
   0.19374502  0.15052859  0.42074608
  -0.04409415  0.19246390  0.39650956
   0.03662528 -0.02861558  0.50374408
   0.46333723  0.24631613  0.77764845
   0.06140348  0.21787344  0.57633863
   0.36031975  0.47307364  0.84266466
   0.47036248  0.46176847  0.67190316
   0.23258574  0.33828744  0.69521542
   0.25498231  0.20464603 -0.11928668
   0.02491893  0.15394880  0.96553648
   0.14625372  0.60236524  0.10829526
   0.36469840  0.68027054  0.27599471
   0.14910101  0.86598029  0.03722235
   0.34042303  0.92724499  0.36820033
   0.41445006  0.90217046  0.17618533
   0.16965983  0.82708243  0.23341324
   0.31206228  0.63301677  0.45091070
   0.04608417  0.60706641  0.39467505
   0.17187257  0.43958319  0.51098156
   0.28112973  0.70590269  0.77385510
   0.09268751  0.71551597  0.55131488
   0.34994823  1.00719256  0.78720455
   0.48915483  0.92419538  0.65484145
   0.22630707  0.91834686  0.63156341
   0.28621522  0.66676445 -0.04074279
   0.02292010  0.67361849  0.94096343
   0.63801236  0.04119876  0.10200540
   0.82015900  0.18885444  0.22711691
   0.64551787  0.28838773  0.03399787
   0.85229070  0.45146893  0.36048432
   0.03187378  0.37924474  0.18404425
   0.77359694  0.44674567  0.16914298
   0.69213569  0.16308390  0.38505615
   0.45974162  0.13715329  0.45196942
   0.69278096  0.05796326  0.54692329
   0.86213848  0.22876678  0.80163681
   0.63228670  0.31253706  0.55639571
   0.85216083  0.48907425  0.87603671
   1.00661693  0.47037136  0.66451160
   0.75409876  0.42941591  0.70099870
   0.76878656  0.09062381  0.93872177
   0.50061768  0.10245847  0.93627692
   0.56060529  0.54941786  0.07953624
   0.88970915  0.69844576  0.25801082
   0.56015659  0.79583126  0.05495842
   0.86856164  0.96318226  0.32171567
   0.92820458  0.91391461  0.14628720
   0.68586636  0.83814218  0.21704939
   0.80052619  0.71166734  0.42917306
   0.56838750  0.59052222  0.37940279
   0.64672497  0.58828381  0.56511208
   0.83662013  0.75017431  0.80086560
   0.58531467  0.80810443  0.47910556
   0.96548727  0.97819519  0.84801058
   0.96496825  0.88846532  0.67378934
   0.71748137  0.97754466  0.74061075
   0.76556247  0.66561874  0.98585814
   0.53041224  0.66479036  0.88839850
   0.71875976  0.80753417  0.62085217
   0.51029231  0.84718195  0.43513800
   0.89669588  0.26142296  0.07365291
   0.86843428  0.38303488  0.38077483
   0.37602931  0.14983961  0.62452980
   0.30808017  0.77377565  0.72633904
   0.27702307  1.13089283  0.22311502
   0.23559843  1.14031968  0.05600889
   0.64397389  0.36937820  0.84395953
   0.89420294  0.42542406  0.65265419
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917720    0.046861   -0.203779
    -0.000000    9.928182    0.105909
    -0.000000    0.000000   13.740421
   Si   O    H 
    32    64    10
Direct configuration=  2835
   0.17599805  0.21417343 -0.02288169
   0.34112900  0.09862586  0.38131103
   0.15553288  0.43651361  0.12097635
   0.40047596  0.32616279  0.24724691
   0.06826281  0.12494251  0.48371551
   0.39955271  0.14095724  0.85221704
   0.11543824  0.36402769  0.61240700
   0.37552201  0.37900388  0.74877399
   0.15330426  0.70437677  0.01526714
   0.40255078  0.57640991  0.36387268
   0.09608964  0.92618916  0.14732133
   0.32397992  0.83936860  0.26819663
   0.15181023  0.60160715  0.48403939
   0.36543042  0.63868199  0.86060706
   0.07937469  0.86660329  0.59325467
   0.35281500  1.00790078  0.66961163
   0.63426241  0.13140565  1.00308849
   0.82932643  0.11722877  0.33235494
   0.62802648  0.40993538  0.11640832
   0.88140176  0.32372874  0.17449805
   0.61841909  0.17760317  0.49009737
   0.90900744  0.11546257  0.89018824
   0.62367971  0.44988375  0.62408034
   0.78073864  0.37470242  0.81587573
   0.60383707  0.66612836 -0.00133397
   0.88967748  0.61333283  0.36067368
   0.57013399  0.89909603  0.14612262
   0.84717784  0.85062972  0.23997683
   0.65558255  0.66983805  0.46512187
   0.87636828  0.64901168  0.89601330
   0.64538421  0.93508141  0.62616453
   0.86082087  0.89826720  0.76181588
   0.13340414  0.08292352  0.15951300
   0.35152286  0.16882624  0.26911394
   0.14971675  0.36560101  0.01487082
   0.40056369  0.41660781  0.34323440
   0.54134383  0.33005225  0.19421146
   0.28921113  0.39327581  0.18088463
   0.19634583  0.15158299  0.42015111
  -0.04437569  0.19443911  0.39659938
   0.03496168 -0.02842330  0.50545588
   0.46393948  0.24773345  0.77777429
   0.06209242  0.21805870  0.57696153
   0.36120425  0.47165509  0.84311999
   0.46971657  0.46290705  0.67198978
   0.23260662  0.33730797  0.69493801
   0.25615055  0.20416487 -0.11907809
   0.02551017  0.15379931  0.96496338
   0.14674332  0.60165592  0.10819598
   0.36466085  0.68079694  0.27615974
   0.14921917  0.86668124  0.03906320
   0.34051602  0.92799747  0.36808857
   0.41425664  0.90203809  0.17651456
   0.16892369  0.82637908  0.23335621
   0.31209505  0.63342780  0.45183012
   0.04651025  0.60827423  0.39446859
   0.17274256  0.44014296  0.51019766
   0.28000484  0.70546065  0.77387408
   0.09151791  0.71460830  0.55096145
   0.35008741  1.00608613  0.78805684
   0.48906711  0.92391951  0.65553495
   0.22604974  0.91988497  0.63129880
   0.28712772  0.66670188 -0.04089699
   0.02344096  0.67287125  0.94014726
   0.63961371  0.04294055  0.10256532
   0.82006786  0.18927550  0.22657830
   0.64548555  0.28833172  0.03489061
   0.85325067  0.45489836  0.35903637
   0.03107777  0.38010950  0.18400839
   0.77338354  0.44635443  0.17020460
   0.69235956  0.16125186  0.38506641
   0.46055467  0.13709001  0.45321970
   0.69352586  0.05734377  0.54659942
   0.86149431  0.22792071  0.80098442
   0.63165991  0.31133546  0.55631907
   0.85152361  0.48851040  0.87542514
   1.00810464  0.46867381  0.66457514
   0.75349404  0.43051984  0.69980802
   0.76821747  0.08982635  0.93776435
   0.49850495  0.09982477  0.93674899
   0.55887519  0.55022130  0.07987623
   0.89104120  0.69651314  0.25716771
   0.55897257  0.79624991  0.05563772
   0.86954275  0.96465198  0.32141490
   0.92862103  0.91461888  0.14744666
   0.68476672  0.83974058  0.21683422
   0.80362122  0.71149636  0.42846660
   0.56757191  0.59022834  0.37945120
   0.64449641  0.58795595  0.56601215
   0.83609465  0.74856520  0.80148951
   0.58583608  0.80889017  0.47837637
   0.96446902  0.97803404  0.84744423
   0.96584225  0.88887137  0.67460799
   0.71700329  0.97804272  0.74036447
   0.76671091  0.66653714  0.98571600
   0.53146614  0.66488031  0.88781942
   0.71713532  0.81115087  0.61877473
   0.50813643  0.84299731  0.43665277
   0.88947615  0.26371921  0.07716172
   0.86966531  0.35251721  0.40863813
   0.37545556  0.15023710  0.62482790
   0.30431297  0.77048820  0.72355090
   0.27260049  1.12862341  0.23225205
   0.24182079  1.12864650  0.05764118
   0.64097932  0.37549519  0.84424681
   0.87064688  0.42520545  0.65090772
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917429    0.047474   -0.203465
    -0.000000    9.929959    0.108290
    -0.000000    0.000000   13.741186
   Si   O    H 
    32    64    10
Direct configuration=  2836
   0.17468017  0.21592321 -0.02290912
   0.34215972  0.09718162  0.38196457
   0.15623717  0.43587759  0.12066296
   0.40133737  0.32658894  0.24637754
   0.06686385  0.12337835  0.48476354
   0.40126336  0.14117480  0.85248104
   0.11434986  0.36455254  0.61193552
   0.37452671  0.37879710  0.74797953
   0.15421094  0.70364487  0.01511783
   0.40401348  0.57551938  0.36414650
   0.09568344  0.92470751  0.14757624
   0.32537347  0.84017934  0.26760751
   0.15364269  0.60087619  0.48394752
   0.36387016  0.63841651  0.86061063
   0.07970527  0.86649099  0.59222335
   0.35420102  1.00710623  0.67050813
   0.63480985  0.13133572  1.00340266
   0.82950360  0.11574248  0.33232115
   0.62825256  0.40837018  0.11634815
   0.88203156  0.32421087  0.17463623
   0.61785815  0.17635701  0.48970281
   0.90899693  0.11632600  0.88998291
   0.62420294  0.44958484  0.62453288
   0.78111367  0.37562677  0.81697832
   0.60374687  0.66569304 -0.00111368
   0.88956753  0.61360684  0.35909127
   0.56984854  0.89985730  0.14581256
   0.84785952  0.85086195  0.23971583
   0.65626634  0.67007095  0.46568639
   0.87605089  0.64866991  0.89632254
   0.64613655  0.93497014  0.62636424
   0.86112526  0.89844493  0.76265279
   0.13225032  0.08300960  0.15966249
   0.35315228  0.16710501  0.26743857
   0.15000047  0.36617055  0.01451882
   0.40205660  0.41365970  0.34214117
   0.54064515  0.32874268  0.19448943
   0.28947462  0.39403179  0.18124324
   0.19963639  0.15232393  0.41954072
  -0.04449774  0.19625975  0.39699212
   0.03411004 -0.02805141  0.50659949
   0.46370360  0.24917967  0.77776966
   0.06303062  0.21847789  0.57760057
   0.36177539  0.47057404  0.84360449
   0.46922732  0.46273013  0.67171301
   0.23323835  0.33674738  0.69476549
   0.25699086  0.20339095 -0.11852232
   0.02506378  0.15378555  0.96433672
   0.14829877  0.60053015  0.10833204
   0.36502559  0.68076172  0.27656309
   0.14957017  0.86632548  0.04056222
   0.33967008  0.92963100  0.36768819
   0.41371172  0.90149063  0.17659522
   0.16808169  0.82695005  0.23341408
   0.31192917  0.63362558  0.45313563
   0.04680184  0.60931988  0.39403070
   0.17314537  0.44076077  0.51015914
   0.27896130  0.70454730  0.77378460
   0.09022294  0.71324911  0.55115249
   0.35002112  1.00575898  0.78877672
   0.48903793  0.92415865  0.65602399
   0.22638656  0.92118792  0.63032544
   0.28816701  0.66624166 -0.04072137
   0.02413832  0.67235319  0.93920286
   0.64083317  0.04428932  0.10305823
   0.82080831  0.19026431  0.22620964
   0.64490490  0.28862880  0.03527702
   0.85334685  0.45688259  0.35818396
   0.03112985  0.38143921  0.18335745
   0.77278790  0.44637011  0.17081793
   0.69175818  0.16026403  0.38424042
   0.46124286  0.13701902  0.45429375
   0.69385475  0.05667517  0.54605449
   0.86048355  0.22748056  0.80094345
   0.63150695  0.31118378  0.55613068
   0.85129394  0.48852551  0.87552307
   1.00897684  0.46710411  0.66384413
   0.75318492  0.43114869  0.69835201
   0.76687706  0.08841548  0.93721545
   0.49735704  0.09764383  0.93712909
   0.55680405  0.55106705  0.07931534
   0.89239355  0.69527318  0.25639199
   0.55724799  0.79737245  0.05572847
   0.87006997  0.96562267  0.32186859
   0.92922088  0.91445566  0.14860005
   0.68409886  0.84128133  0.21710644
   0.80569032  0.71186424  0.42819583
   0.56694890  0.59018100  0.37963664
   0.64253477  0.58735932  0.56651439
   0.83624784  0.74688014  0.80239049
   0.58554535  0.81028756  0.47830921
   0.96280194  0.97857041  0.84632819
   0.96656877  0.88867203  0.67518731
   0.71664356  0.97896385  0.73963224
   0.76808804  0.66753640  0.98558412
   0.53196109  0.66553244  0.88648068
   0.71760665  0.81016630  0.61582632
   0.51432575  0.83682512  0.43868049
   0.88597132  0.26874999  0.07826224
   0.87144544  0.33614868  0.42671920
   0.37395904  0.14266936  0.62486265
   0.30036391  0.76634756  0.72257175
   0.25708261  1.12493993  0.23150598
   0.24862260  1.12210349  0.05782960
   0.63594700  0.37993243  0.84748529
   0.85519266  0.43223859  0.65393414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917138    0.048409   -0.202653
    -0.000000    9.932019    0.110727
    -0.000000    0.000000   13.742135
   Si   O    H 
    32    64    10
Direct configuration=  2837
   0.17351302  0.21707617 -0.02273939
   0.34267629  0.09608738  0.38277462
   0.15645149  0.43559237  0.11979530
   0.40221987  0.32725076  0.24590811
   0.06500564  0.12199631  0.48569211
   0.40310926  0.14146058  0.85249480
   0.11292463  0.36507134  0.61201807
   0.37310958  0.37888786  0.74692709
   0.15478761  0.70333658  0.01487438
   0.40529911  0.57383040  0.36430520
   0.09546649  0.92350421  0.14765371
   0.32679667  0.84090413  0.26705950
   0.15503834  0.60056415  0.48358531
   0.36286631  0.63719125  0.86105166
   0.07979115  0.86667888  0.59147824
   0.35576234  1.00598667  0.67146375
   0.63505030  0.13064221  1.00332287
   0.83009335  0.11525703  0.33221163
   0.62801818  0.40677650  0.11658254
   0.88268437  0.32450894  0.17431011
   0.61698242  0.17513088  0.48929874
   0.90860370  0.11671540  0.88982119
   0.62385818  0.44927898  0.62565179
   0.78059750  0.37655042  0.81786019
   0.60364438  0.66544609 -0.00053369
   0.89010456  0.61401276  0.35753544
   0.56942734  0.90070873  0.14496954
   0.84902354  0.85074342  0.23941038
   0.65668594  0.67065710  0.46613061
   0.87540190  0.64835556  0.89631394
   0.64712033  0.93494982  0.62656049
   0.86126061  0.89872625  0.76362302
   0.13198908  0.08416270  0.15977028
   0.35495815  0.16461969  0.26617347
   0.14981996  0.36633979  0.01411231
   0.40347654  0.41077181  0.34145525
   0.53972432  0.32794793  0.19466590
   0.28933812  0.39497495  0.18134892
   0.20225620  0.15329544  0.41917127
  -0.04470407  0.19730134  0.39776368
   0.03392978 -0.02910807  0.50773468
   0.46419743  0.25005485  0.77773752
   0.06402222  0.21801564  0.57797981
   0.36297051  0.46991866  0.84390888
   0.47020268  0.46287634  0.67121157
   0.23421651  0.33647708  0.69444069
   0.25790768  0.20240753 -0.11803672
   0.02438681  0.15392172  0.96350513
   0.14940191  0.59951363  0.10850482
   0.36539767  0.68068718  0.27728017
   0.14969841  0.86617482  0.04214015
   0.33924521  0.93169443  0.36672922
   0.41357782  0.90152635  0.17687639
   0.16677733  0.82740022  0.23339565
   0.31130245  0.63407994  0.45418479
   0.04793066  0.60945673  0.39347959
   0.17362129  0.44030658  0.51001294
   0.27835020  0.70349292  0.77377664
   0.08846828  0.71227426  0.55167948
   0.34982871  1.00550722  0.78939778
   0.48945476  0.92515443  0.65650315
   0.22652115  0.92208235  0.62935431
   0.28834414  0.66647601 -0.04044194
   0.02448913  0.67260063  0.93798782
   0.64144169  0.04578841  0.10370152
   0.82127232  0.19106997  0.22598863
   0.64388548  0.28804751  0.03525622
   0.85414361  0.45670225  0.35771147
   0.03169256  0.38275783  0.18286196
   0.77217610  0.44641104  0.17135041
   0.69159805  0.15952347  0.38323890
   0.46150158  0.13652004  0.45538922
   0.69385074  0.05542279  0.54563396
   0.85992272  0.22736074  0.80093241
   0.63144877  0.31098475  0.55586027
   0.85217156  0.48876569  0.87529695
   1.00948057  0.46556846  0.66300120
   0.75357546  0.43143093  0.69705506
   0.76502298  0.08740470  0.93745466
   0.49652559  0.09489532  0.93757273
   0.55566059  0.55097344  0.07830146
   0.89320506  0.69468547  0.25570940
   0.55642699  0.79750064  0.05582821
   0.87050143  0.96552764  0.32261131
   0.92978849  0.91363519  0.14950728
   0.68390544  0.84312139  0.21777792
   0.80799664  0.71283062  0.42865465
   0.56655384  0.59026069  0.38009915
   0.64133836  0.58680691  0.56780661
   0.83663545  0.74570067  0.80346143
   0.58610262  0.81281595  0.47822725
   0.96106674  0.97828607  0.84518977
   0.96767691  0.88879096  0.67528820
   0.71514689  0.97979281  0.73894859
   0.76892537  0.66815193  0.98560102
   0.53255127  0.66624330  0.88517472
   0.71804478  0.80632993  0.61245379
   0.50682458  0.83514696  0.43446482
   0.88019705  0.27389342  0.07809377
   0.87474291  0.32934847  0.43212442
   0.36791642  0.13612085  0.62435992
   0.29954796  0.76114281  0.72111065
   0.23729862  1.12719915  0.22619603
   0.25462537  1.12218991  0.05746385
   0.63289845  0.38278143  0.85023578
   0.85337142  0.44443074  0.66267896
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916094    0.050260   -0.201684
    -0.000000    9.934033    0.112399
    -0.000000    0.000000   13.743007
   Si   O    H 
    32    64    10
Direct configuration=  2838
   0.17262491  0.21758779 -0.02280508
   0.34328764  0.09491965  0.38321390
   0.15656703  0.43495339  0.11928968
   0.40234082  0.32753951  0.24536230
   0.06378959  0.12142100  0.48650909
   0.40407186  0.14085809  0.85255661
   0.11171003  0.36548279  0.61203910
   0.37204357  0.37915260  0.74559851
   0.15528387  0.70301857  0.01449750
   0.40701789  0.57243893  0.36455439
   0.09453620  0.92245834  0.14729859
   0.32761833  0.84166944  0.26704134
   0.15628842  0.59998324  0.48322138
   0.36233239  0.63575517  0.86142280
   0.07977253  0.86656547  0.59108114
   0.35742024  1.00520326  0.67234837
   0.63584761  0.12943715  1.00311003
   0.83031558  0.11532964  0.33211613
   0.62764637  0.40511848  0.11652693
   0.88352597  0.32478728  0.17365854
   0.61664476  0.17387267  0.48916171
   0.90799226  0.11669549  0.88925137
   0.62293897  0.44865084  0.62612129
   0.77991654  0.37729810  0.81851842
   0.60379018  0.66503587 -0.00030833
   0.89140491  0.61405164  0.35639272
   0.57004357  0.90190197  0.14363968
   0.85004801  0.85080398  0.23913614
   0.65730856  0.67037169  0.46603325
   0.87487349  0.64814261  0.89673909
   0.64812606  0.93511276  0.62648250
   0.86160617  0.89852965  0.76445386
   0.13177238  0.08477060  0.16028753
   0.35662999  0.16209710  0.26560681
   0.15028133  0.36663020  0.01416070
   0.40395261  0.40877824  0.34122521
   0.53920460  0.32721967  0.19477333
   0.28860846  0.39600691  0.18091795
   0.20424575  0.15418005  0.41876344
  -0.04514072  0.19720580  0.39837544
   0.03281081 -0.02974209  0.50788232
   0.46535805  0.25046416  0.77762648
   0.06497511  0.21641708  0.57856579
   0.36378703  0.47021100  0.84391102
   0.47140696  0.46312351  0.67079668
   0.23437988  0.33726328  0.69427559
   0.25861181  0.20082671 -0.11810822
   0.02405962  0.15447258  0.96266479
   0.14996453  0.59786477  0.10870899
   0.36559348  0.67954950  0.27764502
   0.15037592  0.86532771  0.04312081
   0.33934597  0.93368071  0.36538811
   0.41311059  0.90223406  0.17723333
   0.16596989  0.82872439  0.23339318
   0.31066065  0.63428076  0.45573258
   0.04986870  0.60914766  0.39273633
   0.17413856  0.44006495  0.50932113
   0.27682675  0.70236219  0.77380883
   0.08632395  0.71180026  0.55301979
   0.35043051  1.00602800  0.79028287
   0.49041705  0.92603029  0.65600893
   0.22618286  0.92322339  0.62864873
   0.28975366  0.66581852 -0.04089148
   0.02518182  0.67315679  0.93683398
   0.64056799  0.04687230  0.10454854
   0.82188512  0.19188134  0.22705293
   0.64320356  0.28864435  0.03486501
   0.85429000  0.45650846  0.35778828
   0.03182098  0.38389980  0.18242441
   0.77147864  0.44621955  0.17190255
   0.69121575  0.15861016  0.38258118
   0.46180706  0.13611360  0.45678448
   0.69318496  0.05403464  0.54619750
   0.85951971  0.22807074  0.80190774
   0.63123683  0.31177853  0.55523122
   0.85318450  0.48928280  0.87524770
   1.00905539  0.46421770  0.66157259
   0.75403574  0.43166100  0.69609609
   0.76291754  0.08634494  0.93832424
   0.49651799  0.09293991  0.93889881
   0.55521941  0.54990959  0.07722860
   0.89416116  0.69481017  0.25506674
   0.55593810  0.79858348  0.05578376
   0.87089661  0.96483936  0.32317841
   0.93015178  0.91344301  0.15014487
   0.68380751  0.84479208  0.21877445
   0.80887728  0.71319939  0.42902317
   0.56661402  0.59098116  0.38090404
   0.64143972  0.58599280  0.56871402
   0.83738847  0.74470246  0.80453060
   0.58557295  0.81521695  0.47818730
   0.95915704  0.97795464  0.84479980
   0.96873321  0.88930721  0.67540863
   0.71393493  0.97971191  0.73859498
   0.76946517  0.66896077  0.98557204
   0.53229143  0.66633379  0.88429173
   0.71658628  0.80139473  0.61002191
   0.50338199  0.83446760  0.43283799
   0.87690155  0.27770599  0.07527004
   0.88321791  0.32676456  0.42786483
   0.36322303  0.13224793  0.62257248
   0.30372881  0.76275725  0.71535011
   0.21504854  1.12643488  0.21664978
   0.25773934  1.13112955  0.05479021
   0.63783457  0.38503303  0.85145923
   0.86229971  0.45600150  0.67299104
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914707    0.051371   -0.201008
    -0.000000    9.936015    0.114354
    -0.000000    0.000000   13.743574
   Si   O    H 
    32    64    10
Direct configuration=  2839
   0.17220544  0.21764523 -0.02262707
   0.34395346  0.09401531  0.38324436
   0.15735839  0.43416102  0.11869959
   0.40175801  0.32734034  0.24510306
   0.06318744  0.12105357  0.48641948
   0.40422061  0.13946745  0.85310472
   0.11065820  0.36589404  0.61261839
   0.37122183  0.37942504  0.74482648
   0.15544227  0.70310519  0.01360604
   0.40919964  0.57215608  0.36489997
   0.09384137  0.92183700  0.14669626
   0.32844304  0.84239038  0.26687933
   0.15706800  0.59977788  0.48319779
   0.36219157  0.63375330  0.86095309
   0.07964169  0.86632461  0.59069517
   0.35865905  1.00446272  0.67457258
   0.63670437  0.12839566  1.00287614
   0.83000838  0.11571946  0.33206547
   0.62733665  0.40357043  0.11686946
   0.88481119  0.32481866  0.17297876
   0.61554788  0.17283256  0.48908190
   0.90709801  0.11617332  0.88797994
   0.62230909  0.44754610  0.62655805
   0.77898329  0.37712917  0.81879850
   0.60339774  0.66457655  0.00006364
   0.89295948  0.61399280  0.35551753
   0.57022069  0.90292647  0.14230784
   0.85057857  0.85047856  0.23852641
   0.65876392  0.66996595  0.46587279
   0.87437755  0.64766047  0.89718721
   0.64945941  0.93566237  0.62634274
   0.86145787  0.89804742  0.76553580
   0.13213452  0.08535061  0.16176647
   0.35896748  0.15951299  0.26573653
   0.15144067  0.36691079  0.01379434
   0.40432785  0.40839017  0.34098744
   0.53854704  0.32643386  0.19469872
   0.28801738  0.39629904  0.18017852
   0.20547728  0.15415782  0.41842896
  -0.04661994  0.19712883  0.39885463
   0.03148471 -0.03085888  0.50738466
   0.46662967  0.25109930  0.77782588
   0.06607310  0.21460994  0.57874989
   0.36454810  0.47098195  0.84375615
   0.47285750  0.46218312  0.67037628
   0.23415024  0.33834225  0.69346749
   0.25940971  0.19932232 -0.11815815
   0.02332305  0.15519204  0.96218891
   0.14979000  0.59525131  0.10925103
   0.36540668  0.67902685  0.27849984
   0.15027359  0.86388650  0.04366641
   0.34023078  0.93570858  0.36370260
   0.41228496  0.90357487  0.17791598
   0.16534542  0.82924463  0.23339373
   0.31083478  0.63466980  0.45751550
   0.05189147  0.60903798  0.39149743
   0.17403529  0.44002060  0.50903764
   0.27510505  0.70233364  0.77347038
   0.08436325  0.71186788  0.55419490
   0.35091407  1.00661464  0.79199588
   0.49169225  0.92617960  0.65513582
   0.22501177  0.92372105  0.62758347
   0.29007730  0.66570419 -0.04135791
   0.02612756  0.67333088  0.93606321
   0.63911730  0.04784851  0.10591106
   0.82200993  0.19255777  0.22830848
   0.64290717  0.28873073  0.03370429
   0.85418088  0.45622481  0.35844496
   0.03113943  0.38480442  0.18179096
   0.77011558  0.44583342  0.17152319
   0.69089050  0.15801654  0.38189762
   0.46169260  0.13539369  0.45812011
   0.69246106  0.05308764  0.54723697
   0.85874272  0.22919843  0.80218767
   0.63153495  0.31235244  0.55458778
   0.85370856  0.49020591  0.87539466
   1.00823531  0.46278590  0.65961272
   0.75500408  0.43188795  0.69564817
   0.76097075  0.08448716  0.93918474
   0.49766040  0.09084939  0.94014613
   0.55430000  0.54780860  0.07577951
   0.89456160  0.69468092  0.25425477
   0.55544789  0.80026021  0.05528183
   0.87148946  0.96324794  0.32400105
   0.93077581  0.91405517  0.15023900
   0.68394604  0.84670492  0.21965016
   0.80908745  0.71356234  0.43007474
   0.56732377  0.59150500  0.38284159
   0.64136204  0.58524655  0.56907505
   0.83781464  0.74386370  0.80538170
   0.58439601  0.81754579  0.47819095
   0.95781675  0.97787042  0.84425104
   0.97008512  0.88929112  0.67528823
   0.71262608  0.97945133  0.73825224
   0.77031400  0.66904671  0.98593926
   0.53234186  0.66655670  0.88378546
   0.71750357  0.80329308  0.60869192
   0.50965448  0.83307602  0.43797773
   0.87670291  0.27878920  0.07085297
   0.89551251  0.32526934  0.41444184
   0.35781640  0.13067717  0.61877176
   0.30576065  0.76096851  0.71683034
   0.19142490  1.11962068  0.19991473
   0.25683661  1.14145405  0.04750078
   0.64370409  0.38655349  0.85169210
   0.87578753  0.46733884  0.68270395
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913738    0.052766   -0.200388
    -0.000000    9.937969    0.116944
    -0.000000    0.000000   13.744090
   Si   O    H 
    32    64    10
Direct configuration=  2840
   0.17171991  0.21775365 -0.02238605
   0.34435090  0.09342144  0.38299197
   0.15784978  0.43334875  0.11817973
   0.40137461  0.32636798  0.24518732
   0.06292616  0.12122180  0.48595176
   0.40347520  0.13828347  0.85305529
   0.10977672  0.36600101  0.61329940
   0.37049040  0.37987453  0.74429753
   0.15539597  0.70320413  0.01257989
   0.41076721  0.57163095  0.36532594
   0.09435417  0.92181791  0.14617590
   0.32942128  0.84283799  0.26668132
   0.15726729  0.59922564  0.48301746
   0.36220203  0.63189412  0.86036221
   0.07954743  0.86591679  0.59112056
   0.35923817  1.00342014  0.67655747
   0.63740695  0.12816946  1.00282664
   0.82912221  0.11670900  0.33184807
   0.62648040  0.40205369  0.11703885
   0.88553685  0.32499609  0.17219331
   0.61464551  0.17141968  0.48894707
   0.90638409  0.11531291  0.88701917
   0.62168889  0.44617429  0.62637427
   0.77826562  0.37667787  0.81861905
   0.60271626  0.66479006 -0.00041987
   0.89460676  0.61332886  0.35486102
   0.57026774  0.90386919  0.14139777
   0.85064957  0.85007780  0.23803649
   0.66067229  0.66999187  0.46561604
   0.87418494  0.64691790  0.89755051
   0.65010305  0.93635041  0.62632527
   0.86177300  0.89724532  0.76648004
   0.13191379  0.08397177  0.16145984
   0.36167438  0.15741278  0.26601644
   0.15295995  0.36705157  0.01294052
   0.40467077  0.40887072  0.34125524
   0.53871043  0.32556504  0.19409840
   0.28710931  0.39652616  0.17956371
   0.20628802  0.15352524  0.41882792
  -0.04758122  0.19695599  0.39894283
   0.03009121 -0.03210787  0.50664060
   0.46681811  0.25129855  0.77826290
   0.06641447  0.21298544  0.57868176
   0.36539173  0.47153621  0.84285438
   0.47427019  0.46152457  0.67017754
   0.23355493  0.33924978  0.69257784
   0.25956960  0.19848426 -0.11845369
   0.02176809  0.15584521  0.96178140
   0.15032803  0.59302465  0.10962185
   0.36523190  0.67873245  0.27917227
   0.15034369  0.86136420  0.04414431
   0.34141434  0.93742961  0.36189586
   0.41189172  0.90566987  0.17913717
   0.16460169  0.82883835  0.23325141
   0.31112214  0.63403339  0.45921937
   0.05402239  0.60927626  0.39036070
   0.17388274  0.43935695  0.50903561
   0.27309683  0.70244730  0.77338288
   0.08307568  0.71124482  0.55551788
   0.35190137  1.00796358  0.79340612
   0.49380954  0.92584653  0.65390699
   0.22382022  0.92408147  0.62679435
   0.29024716  0.66574676 -0.04153481
   0.02719877  0.67437377  0.93534622
   0.63754752  0.04772805  0.10745988
   0.82236331  0.19391104  0.22985695
   0.64246787  0.28912129  0.03223668
   0.85406360  0.45622882  0.35909756
   0.03072785  0.38521057  0.18163568
   0.76894928  0.44519478  0.17110311
   0.69073576  0.15673741  0.38171920
   0.46108007  0.13524949  0.45912991
   0.69193065  0.05231589  0.54849939
   0.85801536  0.23102540  0.80271932
   0.63228705  0.31285206  0.55364762
   0.85510376  0.49074274  0.87504195
   1.00632248  0.46082889  0.65826588
   0.75536412  0.43161964  0.69557819
   0.76073440  0.08256893  0.93951331
   0.49997253  0.08931414  0.94160284
   0.55395372  0.54593475  0.07412443
   0.89485189  0.69461903  0.25317061
   0.55498350  0.80143256  0.05470167
   0.87202121  0.96095587  0.32514456
   0.93163328  0.91489941  0.15062733
   0.68395410  0.84826494  0.22036850
   0.80876943  0.71344243  0.43086463
   0.56848777  0.59249577  0.38440053
   0.64141981  0.58506745  0.56906575
   0.83889181  0.74352231  0.80516555
   0.58415948  0.81945901  0.47790983
   0.95746141  0.97688411  0.84383590
   0.97227088  0.88893381  0.67582746
   0.71194290  0.98000660  0.73733525
   0.77086807  0.66901698  0.98592276
   0.53250012  0.66740775  0.88336143
   0.71794354  0.80780218  0.61082227
   0.50676860  0.83287343  0.43861633
   0.88188198  0.28111111  0.06884312
   0.90679692  0.32978952  0.39666160
   0.35173817  0.13053791  0.61404672
   0.30565811  0.75375122  0.72387641
   0.19687581  1.12648873  0.20059226
   0.25598565  1.14899127  0.04209677
   0.64322352  0.38511199  0.85124096
   0.89218534  0.47082406  0.68717460
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913044    0.054093   -0.199061
    -0.000000    9.940039    0.119301
    -0.000000    0.000000   13.745033
   Si   O    H 
    32    64    10
Direct configuration=  2841
   0.17127732  0.21672238 -0.02184814
   0.34541166  0.09353224  0.38320624
   0.15834644  0.43251866  0.11768114
   0.40072101  0.32489506  0.24537991
   0.06293727  0.12184840  0.48530982
   0.40256162  0.13719717  0.85296047
   0.10947484  0.36606898  0.61379445
   0.37071292  0.38100337  0.74359216
   0.15453136  0.70364938  0.01175259
   0.41235191  0.57143232  0.36543029
   0.09480832  0.92210969  0.14580222
   0.33064574  0.84251887  0.26633172
   0.15724039  0.59876632  0.48316323
   0.36251597  0.63030723  0.86011363
   0.08017897  0.86547551  0.59207071
   0.35987942  1.00300266  0.67842704
   0.63775142  0.12790472  1.00287566
   0.82803152  0.11758443  0.33140060
   0.62579492  0.40111935  0.11721532
   0.88623544  0.32426498  0.17141131
   0.61431671  0.17101153  0.48859986
   0.90543854  0.11427049  0.88634923
   0.62050293  0.44463382  0.62598961
   0.77699780  0.37629876  0.81861172
   0.60230195  0.66558968 -0.00110121
   0.89557147  0.61272090  0.35419920
   0.57021290  0.90531379  0.14053054
   0.85075638  0.84940882  0.23752253
   0.66257813  0.67044324  0.46499975
   0.87433282  0.64601585  0.89809190
   0.65060355  0.93682817  0.62657571
   0.86211224  0.89730715  0.76742046
   0.13090890  0.08220448  0.16140550
   0.36365715  0.15625791  0.26603766
   0.15418915  0.36792764  0.01239739
   0.40527708  0.40949357  0.34166938
   0.53895915  0.32436918  0.19356198
   0.28663693  0.39751005  0.17829132
   0.20623658  0.15337714  0.41986002
  -0.04840082  0.19671532  0.39940943
   0.02877525 -0.03245549  0.50542256
   0.46679787  0.25121494  0.77835990
   0.06716175  0.21164909  0.57857102
   0.36580261  0.47154521  0.84183444
   0.47525371  0.46094219  0.66979541
   0.23276089  0.34007406  0.69166700
   0.26008306  0.19789593 -0.11856648
   0.02028140  0.15648055  0.96144459
   0.15109131  0.59192004  0.10950196
   0.36559321  0.67824651  0.28031313
   0.14983351  0.85891491  0.04435425
   0.34235117  0.93847408  0.36037813
   0.41228135  0.90757413  0.18004337
   0.16456348  0.82891347  0.23308502
   0.31210739  0.63248693  0.46060696
   0.05600357  0.60994237  0.38953774
   0.17382005  0.43820938  0.51024999
   0.27140264  0.70227261  0.77395911
   0.08134646  0.71038527  0.55566511
   0.35221725  1.00880268  0.79449866
   0.49639789  0.92496190  0.65292647
   0.22363747  0.92382130  0.62596335
   0.28982542  0.66578927 -0.04210609
   0.02879194  0.67467073  0.93461287
   0.63518677  0.04803822  0.10834305
   0.82371865  0.19423058  0.23058755
   0.64201637  0.29003138  0.03018425
   0.85391258  0.45555984  0.36009786
   0.02993547  0.38623130  0.18180168
   0.76759362  0.44423274  0.17038217
   0.68992495  0.15597271  0.38167364
   0.46032623  0.13537388  0.46085213
   0.69059036  0.05113565  0.54936935
   0.85751119  0.23358229  0.80358165
   0.63337186  0.31259736  0.55235363
   0.85665808  0.49186689  0.87438326
   1.00299488  0.45923295  0.65730877
   0.75607796  0.43172979  0.69644324
   0.76094579  0.08037900  0.94012120
   0.50189543  0.08768979  0.94350814
   0.55426840  0.54372878  0.07290247
   0.89503031  0.69398671  0.25206108
   0.55409174  0.80255780  0.05346314
   0.87260466  0.95897767  0.32646215
   0.93128517  0.91567755  0.15020871
   0.68420322  0.84953253  0.22167501
   0.80799071  0.71333712  0.43203253
   0.56983996  0.59339180  0.38595887
   0.64146436  0.58530276  0.56877381
   0.84003418  0.74347447  0.80509676
   0.58433344  0.82083010  0.47775661
   0.95647496  0.97538927  0.84351173
   0.97411905  0.88914014  0.67641692
   0.71204860  0.98007473  0.73616213
   0.77149946  0.66877341  0.98610229
   0.53305174  0.66773600  0.88419556
   0.72028847  0.80855313  0.61147884
   0.49660269  0.83568538  0.43721944
   0.88905365  0.28267762  0.06896929
   0.91513306  0.33963228  0.37850040
   0.34582817  0.13047468  0.61049729
   0.31127472  0.75682754  0.71960534
   0.21054712  1.13180953  0.20538543
   0.25925281  1.15331202  0.04085392
   0.64011011  0.38130258  0.85187974
   0.91357323  0.47024353  0.68496028
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912391    0.055130   -0.197897
    -0.000000    9.942247    0.121522
    -0.000000    0.000000   13.746005
   Si   O    H 
    32    64    10
Direct configuration=  2842
   0.17073454  0.21615670 -0.02168931
   0.34608363  0.09410542  0.38315853
   0.15866451  0.43199355  0.11737120
   0.39964316  0.32319476  0.24524756
   0.06338054  0.12252317  0.48473623
   0.40109329  0.13658960  0.85320849
   0.10914469  0.36560482  0.61385901
   0.37156893  0.38166018  0.74317140
   0.15300489  0.70362435  0.01088650
   0.41344461  0.57143819  0.36560877
   0.09550156  0.92256052  0.14538824
   0.33188621  0.84234573  0.26584076
   0.15631269  0.59823188  0.48295099
   0.36280193  0.62938480  0.86029427
   0.08152639  0.86424184  0.59325548
   0.36012041  1.00285470  0.67982761
   0.63810688  0.12792071  1.00297732
   0.82693538  0.11852137  0.33099105
   0.62518675  0.40002714  0.11676372
   0.88681763  0.32377378  0.17060973
   0.61421296  0.17074696  0.48808662
   0.90373929  0.11357241  0.88533585
   0.61935528  0.44348701  0.62524997
   0.77532663  0.37588305  0.81839345
   0.60191216  0.66639693 -0.00166517
   0.89688974  0.61171875  0.35396102
   0.57022272  0.90654699  0.13964994
   0.85091431  0.84831389  0.23715307
   0.66383966  0.67054804  0.46478909
   0.87499303  0.64555169  0.89800494
   0.65116284  0.93685231  0.62687411
   0.86196095  0.89657438  0.76760539
   0.12984677  0.08133747  0.16118469
   0.36577316  0.15523399  0.26639125
   0.15488026  0.36873330  0.01133368
   0.40637067  0.41116578  0.34313364
   0.53872902  0.32283198  0.19265592
   0.28606377  0.39812531  0.17708951
   0.20562926  0.15272504  0.42111219
  -0.04962185  0.19574647  0.39999658
   0.02794653 -0.03284384  0.50449162
   0.46632187  0.25005479  0.77836401
   0.06796196  0.21105095  0.57833530
   0.36594486  0.47146108  0.84125370
   0.47615083  0.46048331  0.66932162
   0.23248676  0.34084684  0.69080498
   0.26034393  0.19780166 -0.11899739
   0.01923631  0.15584279  0.96142634
   0.15128576  0.59210636  0.10920191
   0.36662046  0.67804863  0.28187850
   0.14920034  0.85681348  0.04468057
   0.34348952  0.93865804  0.35916043
   0.41330975  0.90915312  0.18109831
   0.16512171  0.82891869  0.23348060
   0.31291504  0.63110436  0.46113725
   0.05726129  0.61046473  0.38850674
   0.17443187  0.43699548  0.51152504
   0.26908070  0.70269137  0.77345534
   0.07993220  0.70916924  0.55611341
   0.35218477  1.00951349  0.79528599
   0.49817281  0.92358299  0.65212881
   0.22467251  0.92281614  0.62559385
   0.28937852  0.66601552 -0.04188489
   0.03020711  0.67504136  0.93428640
   0.63262130  0.04827671  0.10909850
   0.82489931  0.19459494  0.23037203
   0.64124872  0.29128166  0.02785507
   0.85416047  0.45413797  0.36100959
   0.02922937  0.38713763  0.18172475
   0.76632590  0.44233485  0.16952887
   0.68865576  0.15514917  0.38222457
   0.46026965  0.13606141  0.46285468
   0.68929122  0.04963152  0.54974101
   0.85685730  0.23534737  0.80479143
   0.63404978  0.31181772  0.55125017
   0.85826402  0.49275648  0.87409985
   0.99969744  0.45855784  0.65658479
   0.75670616  0.43141407  0.69761494
   0.76222763  0.07909635  0.94037592
   0.50314418  0.08644153  0.94471164
   0.55451546  0.54110730  0.07152516
   0.89459102  0.69341134  0.25077151
   0.55306478  0.80298287  0.05242604
   0.87295071  0.95686293  0.32783359
   0.93126844  0.91693166  0.14895938
   0.68487499  0.85017189  0.22271395
   0.80768529  0.71343307  0.43299787
   0.57085293  0.59459057  0.38694769
   0.64152800  0.58560640  0.56827653
   0.83980961  0.74429300  0.80505817
   0.58358818  0.82185376  0.47775106
   0.95561312  0.97379790  0.84255454
   0.97526954  0.88875920  0.67695035
   0.71295498  0.98002365  0.73543608
   0.77187345  0.66886686  0.98660934
   0.53304199  0.66808602  0.88569404
   0.72590341  0.80788774  0.61135711
   0.49545985  0.83282038  0.44052261
   0.89371956  0.28275846  0.06891050
   0.92017875  0.35706511  0.36174365
   0.34160277  0.12631294  0.60922481
   0.31329123  0.75620347  0.72021858
   0.21899867  1.12870653  0.20542010
   0.26419593  1.15196194  0.04432668
   0.63654206  0.37636981  0.85213659
   0.93211267  0.46807201  0.68118631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912105    0.056910   -0.197161
    -0.000000    9.944459    0.123623
    -0.000000    0.000000   13.746953
   Si   O    H 
    32    64    10
Direct configuration=  2843
   0.17048539  0.21530556 -0.02145418
   0.34650339  0.09479079  0.38311266
   0.15801588  0.43160768  0.11722463
   0.39865919  0.32282791  0.24492085
   0.06343896  0.12278640  0.48353418
   0.40036768  0.13594528  0.85368269
   0.10932267  0.36556878  0.61344786
   0.37310524  0.38270403  0.74286960
   0.15166184  0.70315907  0.01063163
   0.41458548  0.57120124  0.36585062
   0.09640679  0.92350500  0.14540008
   0.33273044  0.84197452  0.26533587
   0.15537596  0.59754662  0.48263217
   0.36358052  0.62897876  0.86104047
   0.08252814  0.86271107  0.59405598
   0.35995677  1.00232880  0.68067438
   0.63839328  0.12805543  1.00369480
   0.82619582  0.11980672  0.33093994
   0.62490901  0.39954338  0.11605610
   0.88717741  0.32297649  0.16990771
   0.61422480  0.17078639  0.48775504
   0.90142806  0.11272957  0.88432423
   0.61890902  0.44241627  0.62439958
   0.77372817  0.37591598  0.81769616
   0.60237849  0.66715850 -0.00240368
   0.89767010  0.61087903  0.35389244
   0.57079973  0.90704728  0.13941051
   0.85097282  0.84800696  0.23706322
   0.66367918  0.67113431  0.46488552
   0.87600308  0.64530840  0.89801344
   0.65137955  0.93691378  0.62724615
   0.86195865  0.89552858  0.76780575
   0.12949028  0.08076765  0.16123047
   0.36695069  0.15415439  0.26666602
   0.15458364  0.36961706  0.01007087
   0.40685703  0.41278183  0.34379057
   0.53785082  0.32138780  0.19167556
   0.28683500  0.39905845  0.17661958
   0.20510861  0.15181045  0.42215415
  -0.05177922  0.19418542  0.40085897
   0.02724267 -0.03406677  0.50369640
   0.46608798  0.24906988  0.77852968
   0.06869965  0.20992440  0.57887853
   0.36529269  0.47149656  0.84079645
   0.47595356  0.45988526  0.66899978
   0.23207902  0.34163658  0.68992849
   0.26005177  0.19851778 -0.11978663
   0.01880735  0.15512113  0.96182234
   0.15101137  0.59311790  0.10866243
   0.36731352  0.67766676  0.28287010
   0.14862162  0.85452476  0.04487227
   0.34376046  0.93789483  0.35859534
   0.41447550  0.91052851  0.18147768
   0.16666261  0.82920526  0.23345161
   0.31357084  0.62973093  0.46081625
   0.05856536  0.61177767  0.38793885
   0.17422220  0.43624249  0.51345021
   0.26736694  0.70395805  0.77279280
   0.07848691  0.70815975  0.55597754
   0.35297428  1.01017898  0.79560763
   0.49950579  0.92193076  0.65102147
   0.22589672  0.92154930  0.62574784
   0.28891118  0.66699577 -0.04124864
   0.03082751  0.67590680  0.93368589
   0.63050716  0.04841886  0.10908325
   0.82553734  0.19551952  0.22980662
   0.64028747  0.29154565  0.02579733
   0.85392118  0.45239836  0.36209357
   0.02885576  0.38834490  0.18173165
   0.76521242  0.43946972  0.16870460
   0.68745443  0.15477497  0.38327437
   0.46056385  0.13706492  0.46392607
   0.68832412  0.04879074  0.54986164
   0.85537679  0.23653549  0.80650400
   0.63532387  0.31111447  0.55032258
   0.85865800  0.49262035  0.87314869
   1.00062432  0.45859565  0.65406055
   0.75714740  0.43055005  0.69932585
   0.76342116  0.07740419  0.93995325
   0.50427759  0.08544237  0.94573232
   0.55522593  0.53906378  0.06974094
   0.89360673  0.69335747  0.24970569
   0.55215358  0.80381812  0.05121640
   0.87304801  0.95616475  0.32897749
   0.93183532  0.91744910  0.14796750
   0.68471537  0.85069675  0.22359056
   0.80835805  0.71381765  0.43359957
   0.57145725  0.59520235  0.38777827
   0.64146115  0.58652392  0.56745339
   0.83928271  0.74459989  0.80472657
   0.58218293  0.82324348  0.47746483
   0.95482341  0.97256435  0.84201019
   0.97582180  0.88795979  0.67775026
   0.71486774  0.97952252  0.73499412
   0.77209727  0.66923431  0.98688672
   0.53150487  0.66906912  0.88725479
   0.73037665  0.80943237  0.61055627
   0.50070129  0.82988213  0.44845075
   0.89765401  0.28197492  0.06812675
   0.92035005  0.38620473  0.34730877
   0.34136268  0.11871811  0.61412703
   0.30954605  0.74962547  0.72295409
   0.21963731  1.11684925  0.20194371
   0.27199948  1.14734272  0.05154833
   0.63446940  0.37047961  0.85210317
   0.88954144  0.47430786  0.69807522
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911933    0.057723   -0.196252
    -0.000000    9.946794    0.125316
    -0.000000    0.000000   13.748108
   Si   O    H 
    32    64    10
Direct configuration=  2844
   0.17023561  0.21441041 -0.02083876
   0.34750796  0.09485777  0.38323466
   0.15710063  0.43159954  0.11696550
   0.39789561  0.32193431  0.24507754
   0.06296216  0.12332871  0.48217789
   0.39979131  0.13549192  0.85473167
   0.10935767  0.36615971  0.61286004
   0.37481101  0.38344332  0.74242430
   0.15005685  0.70193813  0.01086512
   0.41525019  0.57137284  0.36581990
   0.09709650  0.92431362  0.14526240
   0.33314380  0.84088641  0.26514603
   0.15483325  0.59709854  0.48251167
   0.36444890  0.62837456  0.86179175
   0.08341820  0.86114293  0.59485238
   0.35931652  1.00173762  0.68161900
   0.63883414  0.12816913  1.00447687
   0.82549938  0.11991402  0.33123838
   0.62387545  0.39890501  0.11442476
   0.88758589  0.32262652  0.16942061
   0.61470867  0.17066779  0.48729332
   0.89937514  0.11181650  0.88363325
   0.61890895  0.44189367  0.62406062
   0.77210311  0.37584803  0.81719719
   0.60263861  0.66713734 -0.00315136
   0.89880760  0.61062999  0.35382700
   0.57159272  0.90727673  0.13897176
   0.85044198  0.84824486  0.23677106
   0.66358244  0.67182706  0.46548767
   0.87669159  0.64590616  0.89792234
   0.65255175  0.93678630  0.62757722
   0.86242058  0.89482174  0.76758781
   0.12987569  0.07977358  0.16161668
   0.36843920  0.15382772  0.26724228
   0.15491537  0.37054760  0.00831442
   0.40762898  0.41462578  0.34430562
   0.53697318  0.32017545  0.19071761
   0.28782517  0.39927144  0.17654086
   0.20498817  0.15035921  0.42300326
  -0.05402728  0.19270314  0.40135969
   0.02668593 -0.03509115  0.50283073
   0.46531825  0.24736079  0.77825158
   0.06962145  0.20908124  0.57927985
   0.36529250  0.47197062  0.84010398
   0.47558470  0.45947302  0.66921675
   0.23275041  0.34315474  0.68865187
   0.25993686  0.19934554 -0.12011173
   0.01822651  0.15430373  0.96215376
   0.14925999  0.59456973  0.10773184
   0.36857924  0.67799177  0.28348330
   0.14828057  0.85319980  0.04497171
   0.34438391  0.93753873  0.35893699
   0.41523383  0.91184002  0.18140377
   0.16785739  0.83000066  0.23289247
   0.31465391  0.62805606  0.45982988
   0.05916750  0.61336929  0.38762891
   0.17447444  0.43652139  0.51507680
   0.26642315  0.70487970  0.77264423
   0.07782705  0.70620418  0.55584896
   0.35376006  1.01093438  0.79577535
   0.49933199  0.92068316  0.65022108
   0.22739590  0.92067121  0.62655948
   0.28894620  0.66790632 -0.04110445
   0.03090200  0.67638466  0.93291051
   0.62854381  0.04756778  0.10942000
   0.82685608  0.19538694  0.22930680
   0.64016726  0.29187594  0.02391017
   0.85381571  0.45069595  0.36312742
   0.02887475  0.38948351  0.18184582
   0.76442967  0.43642950  0.16757442
   0.68617699  0.15486231  0.38383781
   0.46084289  0.13756864  0.46424686
   0.68781132  0.04843950  0.54906764
   0.85392798  0.23716629  0.80852814
   0.63643489  0.31077848  0.54978136
   0.85934432  0.49238599  0.87241158
   0.99931346  0.45899735  0.65180002
   0.75783394  0.42962938  0.70108430
   0.76466202  0.07576071  0.93968614
   0.50530756  0.08420831  0.94600203
   0.55559335  0.53658152  0.06780577
   0.89276608  0.69305193  0.24914840
   0.55133364  0.80424360  0.05011650
   0.87336165  0.95524253  0.32975661
   0.93168748  0.91780369  0.14663676
   0.68361737  0.85065797  0.22457674
   0.81053461  0.71340106  0.43360833
   0.57195279  0.59533069  0.38824338
   0.64112892  0.58779990  0.56616203
   0.83889670  0.74499484  0.80450119
   0.58190044  0.82466322  0.47795387
   0.95416765  0.97198708  0.84181464
   0.97589773  0.88693519  0.67890565
   0.71751656  0.97821730  0.73527213
   0.77211446  0.66973918  0.98692713
   0.53005116  0.66995849  0.88926264
   0.73707592  0.81191875  0.61092635
   0.48935676  0.82791741  0.44902599
   0.89814248  0.27836955  0.06620952
   0.92363437  0.40627636  0.33499260
   0.34164758  0.11356554  0.61746930
   0.30947891  0.74995099  0.72033734
   0.21028005  1.09978565  0.19363334
   0.27525855  1.14295396  0.05699270
   0.63228182  0.36530318  0.85055315
   0.86194256  0.47434817  0.70477686
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911620    0.059356   -0.194921
    -0.000000    9.948925    0.127144
    -0.000000    0.000000   13.749370
   Si   O    H 
    32    64    10
Direct configuration=  2845
   0.17062721  0.21386965 -0.02046437
   0.34867418  0.09532637  0.38348592
   0.15619441  0.43168883  0.11703471
   0.39708221  0.32118383  0.24590701
   0.06241635  0.12421170  0.48084398
   0.39917763  0.13548151  0.85544169
   0.10937424  0.36647929  0.61205378
   0.37695971  0.38401210  0.74200949
   0.14893982  0.70069737  0.01109783
   0.41520044  0.57210718  0.36639733
   0.09749490  0.92524056  0.14515676
   0.33368365  0.83987902  0.26490015
   0.15498840  0.59633893  0.48246606
   0.36512232  0.62823787  0.86256556
   0.08386284  0.85970014  0.59511216
   0.35905921  1.00075485  0.68171430
   0.63963336  0.12817924  1.00502949
   0.82564057  0.11998996  0.33186634
   0.62313306  0.39849705  0.11301901
   0.88831099  0.32203961  0.16871411
   0.61524564  0.17075131  0.48660059
   0.89746305  0.11137389  0.88340564
   0.61895355  0.44175599  0.62293749
   0.76991761  0.37604223  0.81667384
   0.60314339  0.66605002 -0.00390261
   0.89989316  0.61040564  0.35407654
   0.57204884  0.90702631  0.13854884
   0.85042391  0.84857003  0.23643892
   0.66335381  0.67246751  0.46621504
   0.87688248  0.64668000  0.89807425
   0.65381121  0.93709003  0.62799816
   0.86278537  0.89369391  0.76734878
   0.12971182  0.07796397  0.16211881
   0.36889392  0.15358547  0.26811719
   0.15563392  0.37174438  0.00692096
   0.40808685  0.41634313  0.34385641
   0.53680921  0.31869777  0.19024270
   0.29020832  0.39907452  0.17691740
   0.20518962  0.14888206  0.42368246
  -0.05636651  0.19058420  0.40238449
   0.02672147 -0.03601532  0.50272466
   0.46395772  0.24603410  0.77823022
   0.07076865  0.20906969  0.57967954
   0.36535186  0.47129796  0.83899877
   0.47483865  0.45884342  0.66975512
   0.23403006  0.34476312  0.68709225
   0.25989771  0.20078413 -0.12076585
   0.01836794  0.15293286  0.96278994
   0.14720012  0.59623778  0.10676147
   0.36906627  0.67822824  0.28348176
   0.14854303  0.85219543  0.04512653
   0.34388583  0.93705503  0.35968634
   0.41472286  0.91418667  0.18137426
   0.16934877  0.83059277  0.23229654
   0.31506992  0.62658011  0.45867178
   0.05920007  0.61424210  0.38676096
   0.17390819  0.43709095  0.51623649
   0.26611644  0.70572988  0.77298990
   0.07764299  0.70448306  0.55559288
   0.35402122  1.01116706  0.79606534
   0.49925334  0.91999138  0.64865112
   0.22917556  0.91997186  0.62777462
   0.28864300  0.66830007 -0.04136678
   0.03079393  0.67681258  0.93168800
   0.62658328  0.04753847  0.10950276
   0.82776082  0.19575971  0.22911926
   0.63975351  0.29177021  0.02221293
   0.85184123  0.44933377  0.36461385
   0.02907999  0.38993768  0.18226070
   0.76367531  0.43339085  0.16646780
   0.68514415  0.15542878  0.38484576
   0.45970567  0.13783955  0.46404691
   0.68715251  0.04912304  0.54828657
   0.85173972  0.23746541  0.80997216
   0.63781718  0.31047761  0.54950896
   0.86000135  0.49112125  0.87180791
   0.99746381  0.45937234  0.65064346
   0.75870900  0.42854695  0.70284690
   0.76486163  0.07413586  0.93965108
   0.50585610  0.08325601  0.94546544
   0.55587018  0.53483678  0.06584993
   0.89169991  0.69241501  0.24812204
   0.55195373  0.80439088  0.04919652
   0.87360139  0.95527366  0.33027209
   0.93169617  0.91759938  0.14577438
   0.68263771  0.85068270  0.22546044
   0.81351463  0.71268438  0.43287342
   0.57220468  0.59533424  0.38878704
   0.64097876  0.58833537  0.56543566
   0.83887046  0.74449167  0.80464438
   0.58105837  0.82567146  0.47795300
   0.95392904  0.97217523  0.84190756
   0.97535730  0.88576241  0.67997668
   0.72081525  0.97667438  0.73492901
   0.77175304  0.66943943  0.98742411
   0.52942079  0.66998239  0.89051961
   0.74473281  0.81527186  0.61342730
   0.48099521  0.82825145  0.45160572
   0.89913986  0.27537063  0.06659822
   0.93815434  0.41364863  0.32255747
   0.34566164  0.11225822  0.62321015
   0.31499463  0.74879721  0.71513803
   0.21446912  1.08867743  0.19106021
   0.27300354  1.14255739  0.05582667
   0.63539930  0.36202806  0.84938322
   0.84554001  0.46475199  0.70128921
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911168    0.061564   -0.194276
    -0.000000    9.951568    0.129238
    -0.000000    0.000000   13.750703
   Si   O    H 
    32    64    10
Direct configuration=  2846
   0.17074332  0.21304955 -0.02034864
   0.34980738  0.09563843  0.38374567
   0.15550360  0.43186334  0.11730494
   0.39673148  0.32071842  0.24669761
   0.06160894  0.12469533  0.47946916
   0.39912661  0.13549547  0.85616728
   0.10824439  0.36677677  0.61143833
   0.37821295  0.38413142  0.74161408
   0.14810989  0.69912059  0.01140254
   0.41481534  0.57281323  0.36720288
   0.09777017  0.92579990  0.14499392
   0.33420311  0.83859745  0.26479164
   0.15542886  0.59545017  0.48242660
   0.36560139  0.62826737  0.86308283
   0.08436591  0.85821490  0.59502623
   0.35827071  0.99994036  0.68142186
   0.64081462  0.12811844  1.00570826
   0.82639445  0.11962240  0.33211002
   0.62281494  0.39740394  0.11155023
   0.88855422  0.32121727  0.16815331
   0.61640624  0.17114897  0.48588045
   0.89591052  0.11147758  0.88321608
   0.61964604  0.44177321  0.62163130
   0.76769480  0.37664516  0.81678378
   0.60356553  0.66512499 -0.00469698
   0.90035404  0.61065262  0.35459091
   0.57259836  0.90601384  0.13846228
   0.85043270  0.84899359  0.23572658
   0.66281301  0.67296482  0.46704815
   0.87717517  0.64743967  0.89820644
   0.65503501  0.93719154  0.62799736
   0.86322268  0.89225026  0.76681208
   0.13006820  0.07669853  0.16223979
   0.36934321  0.15406984  0.26913237
   0.15678425  0.37222357  0.00564691
   0.40858977  0.41671631  0.34294994
   0.53655099  0.31670912  0.19051095
   0.29251628  0.39904537  0.17782940
   0.20437779  0.14715420  0.42415878
  -0.05747677  0.18778159  0.40341739
   0.02708390 -0.03615594  0.50257640
   0.46231707  0.24538078  0.77824233
   0.07187675  0.20932905  0.58012129
   0.36603269  0.46999871  0.83734905
   0.47463600  0.45876102  0.67001911
   0.23557172  0.34657659  0.68625852
   0.25932030  0.20267069 -0.12099292
   0.01842333  0.15176559  0.96355611
   0.14553025  0.59866348  0.10490016
   0.36950715  0.67853174  0.28263185
   0.14838930  0.85193975  0.04533195
   0.34269649  0.93636788  0.36029336
   0.41404895  0.91572841  0.18031441
   0.17073497  0.83122363  0.23226200
   0.31605385  0.62570172  0.45716419
   0.05912460  0.61419410  0.38587401
   0.17290101  0.43735917  0.51725459
   0.26633749  0.70541575  0.77354479
   0.07752892  0.70265910  0.55513402
   0.35319633  1.01021546  0.79603581
   0.49923196  0.91904848  0.64757071
   0.23099547  0.91926590  0.62911146
   0.28880898  0.66823835 -0.04168931
   0.03061754  0.67797400  0.93018630
   0.62543311  0.04870661  0.10951985
   0.82843963  0.19569698  0.22876098
   0.63954976  0.29110904  0.02109524
   0.85017133  0.44800078  0.36500212
   0.03010997  0.39068667  0.18302065
   0.76354584  0.43091919  0.16550525
   0.68439798  0.15541520  0.38568944
   0.45791645  0.13765301  0.46422982
   0.68594087  0.05028516  0.54834602
   0.85035859  0.23735195  0.81117729
   0.63907096  0.31016116  0.54917666
   0.86134750  0.49008380  0.87132615
   0.99516225  0.46028965  0.65009347
   0.75864049  0.42721020  0.70419837
   0.76555506  0.07307041  0.93940492
   0.50621223  0.08253062  0.94447602
   0.55708341  0.53311428  0.06437807
   0.89126683  0.69221115  0.24759112
   0.55173264  0.80502708  0.04800126
   0.87381163  0.95481857  0.32983352
   0.93128270  0.91726249  0.14558405
   0.68196139  0.85070731  0.22604477
   0.81603940  0.71186956  0.43199581
   0.57319033  0.59530061  0.38902541
   0.64127658  0.58860445  0.56488336
   0.83831759  0.74362221  0.80425047
   0.58018004  0.82730641  0.47757378
   0.95404963  0.97250124  0.84239569
   0.97517972  0.88408157  0.68108949
   0.72406914  0.97473740  0.73466214
   0.77176807  0.66879701  0.98805331
   0.52811493  0.66989957  0.89078283
   0.74551002  0.81857461  0.61497014
   0.48733923  0.82935073  0.45874228
   0.89998043  0.27031987  0.06989459
   0.94041955  0.41672336  0.32040614
   0.35039606  0.12085736  0.62886270
   0.31630060  0.74831217  0.71566459
   0.23185849  1.08504401  0.19120440
   0.26724970  1.14799422  0.05195745
   0.63884624  0.36185624  0.84718001
   0.85158829  0.46502354  0.68951841
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910506    0.063783   -0.194083
    -0.000000    9.954115    0.131522
    -0.000000    0.000000   13.751259
   Si   O    H 
    32    64    10
Direct configuration=  2847
   0.17120377  0.21179633 -0.02005094
   0.35101486  0.09577730  0.38391529
   0.15485733  0.43238188  0.11712388
   0.39686091  0.32024514  0.24761707
   0.06068709  0.12469509  0.47845740
   0.39966113  0.13522482  0.85696704
   0.10735405  0.36699165  0.61072659
   0.37982322  0.38417621  0.74103949
   0.14787572  0.69748707  0.01180755
   0.41464691  0.57368952  0.36785965
   0.09782782  0.92554245  0.14505160
   0.33526372  0.83819776  0.26459555
   0.15567703  0.59488226  0.48226119
   0.36621265  0.62829769  0.86359779
   0.08527690  0.85710914  0.59496412
   0.35690310  0.99962209  0.68130232
   0.64208226  0.12806676  1.00603321
   0.82677605  0.11902468  0.33259877
   0.62276781  0.39648454  0.11007167
   0.88828838  0.32032685  0.16755506
   0.61751654  0.17171534  0.48519069
   0.89557216  0.11209697  0.88316164
   0.62000915  0.44201124  0.62068516
   0.76620285  0.37705200  0.81698001
   0.60357256  0.66417831 -0.00508611
   0.90023312  0.61083713  0.35508762
   0.57363443  0.90518823  0.13855337
   0.85013474  0.84942632  0.23543645
   0.66166342  0.67370438  0.46770649
   0.87753971  0.64815175  0.89847904
   0.65675089  0.93747734  0.62739005
   0.86344178  0.89086108  0.76619963
   0.13113901  0.07722872  0.16236879
   0.37033793  0.15525502  0.27009354
   0.15763046  0.37279450  0.00526597
   0.40887804  0.41662552  0.34167089
   0.53597231  0.31480378  0.19126830
   0.29342214  0.39940567  0.17909172
   0.20288284  0.14565320  0.42458778
  -0.05849885  0.18448982  0.40542967
   0.02766119 -0.03603435  0.50240321
   0.46037817  0.24449273  0.77813338
   0.07291362  0.20921564  0.58021300
   0.36678495  0.46824603  0.83621250
   0.47358305  0.45930813  0.66975079
   0.23659286  0.34842362  0.68602732
   0.25882117  0.20438004 -0.12122818
   0.01874894  0.15070777  0.96466336
   0.14339391  0.60138502  0.10310690
   0.37127795  0.67838247  0.28147094
   0.14804753  0.85279329  0.04602167
   0.34153512  0.93507677  0.36104884
   0.41440566  0.91747490  0.17930552
   0.17221220  0.83142868  0.23204125
   0.31662173  0.62488654  0.45552292
   0.05891141  0.61375459  0.38455516
   0.17145785  0.43746585  0.51786784
   0.26736583  0.70528508  0.77431807
   0.07732049  0.70192366  0.55500111
   0.35334207  1.00840292  0.79651872
   0.49990518  0.91785825  0.64629011
   0.23255015  0.91862705  0.62997337
   0.28930793  0.66759663 -0.04165665
   0.03078592  0.67892877  0.92852720
   0.62429986  0.04896427  0.10919823
   0.82933293  0.19627539  0.22814880
   0.63994131  0.29007942  0.02043548
   0.84964351  0.44702822  0.36499805
   0.03055383  0.39059297  0.18356185
   0.76357981  0.42834361  0.16480016
   0.68465028  0.15512789  0.38664323
   0.45604570  0.13808451  0.46446307
   0.68440415  0.05170720  0.54829124
   0.84908227  0.23713962  0.81184529
   0.63968885  0.31004370  0.54906264
   0.86305494  0.48920707  0.87111300
   0.99349636  0.46097598  0.64945058
   0.75858248  0.42529976  0.70527747
   0.76575174  0.07164098  0.93977327
   0.50668016  0.08269819  0.94346414
   0.55794541  0.53182465  0.06332763
   0.89140034  0.69144824  0.24744419
   0.55154511  0.80554880  0.04694104
   0.87398050  0.95428945  0.32882512
   0.93130892  0.91714276  0.14557248
   0.68000408  0.85125259  0.22673264
   0.81746547  0.71037603  0.43142941
   0.57454847  0.59533303  0.38933749
   0.64151528  0.58846623  0.56508114
   0.83826872  0.74279550  0.80423706
   0.58009753  0.82884765  0.47736679
   0.95437346  0.97269390  0.84349075
   0.97508271  0.88221187  0.68115371
   0.72769680  0.97262483  0.73434273
   0.77090376  0.66860277  0.98868094
   0.52650488  0.66981438  0.89060312
   0.74388392  0.81985069  0.61446640
   0.49060339  0.83119572  0.46441956
   0.89882870  0.26199290  0.07457987
   0.93263746  0.41899257  0.32728308
   0.35676366  0.13574913  0.63106911
   0.31000137  0.74442044  0.72194832
   0.23997863  1.08643591  0.18852462
   0.25779967  1.15421392  0.04691755
   0.63428744  0.36049555  0.84370679
   0.86863434  0.46759382  0.67073823
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909794    0.066147   -0.193764
    -0.000000    9.956329    0.133766
    -0.000000    0.000000   13.751964
   Si   O    H 
    32    64    10
Direct configuration=  2848
   0.17151324  0.21152959 -0.02033072
   0.35214453  0.09566764  0.38379004
   0.15431958  0.43340961  0.11674002
   0.39685812  0.32036293  0.24848307
   0.05960576  0.12426886  0.47776384
   0.40015597  0.13508307  0.85759543
   0.10598567  0.36655655  0.61039960
   0.38099881  0.38403873  0.74057617
   0.14736370  0.69619222  0.01175930
   0.41452301  0.57500870  0.36850021
   0.09714602  0.92486498  0.14516990
   0.33617871  0.83825696  0.26462207
   0.15565813  0.59380629  0.48232578
   0.36678348  0.62855440  0.86378934
   0.08583298  0.85671214  0.59429801
   0.35632861  0.99956352  0.68083091
   0.64370733  0.12799258  1.00645085
   0.82732911  0.11852262  0.33333266
   0.62246151  0.39497463  0.10863303
   0.88809996  0.31930997  0.16719686
   0.61749224  0.17219823  0.48522865
   0.89581241  0.11265204  0.88323168
   0.62123798  0.44250930  0.61951306
   0.76497619  0.37789854  0.81736116
   0.60372375  0.66375902 -0.00532569
   0.90106866  0.61072564  0.35530363
   0.57379481  0.90424714  0.13877351
   0.84866299  0.84925291  0.23535705
   0.66061607  0.67488983  0.46820262
   0.87762124  0.64880355  0.89897126
   0.65881271  0.93799736  0.62626644
   0.86380223  0.88945213  0.76552792
   0.13344455  0.07776099  0.16273985
   0.37021982  0.15639680  0.27145166
   0.15869530  0.37395249  0.00512792
   0.40908228  0.41610573  0.34135492
   0.53536334  0.31294618  0.19237151
   0.29364600  0.40049219  0.17992706
   0.20146591  0.14453810  0.42487753
  -0.05932030  0.18156311  0.40728946
   0.02870763 -0.03656276  0.50269365
   0.45836264  0.24410029  0.77823021
   0.07384393  0.20912119  0.58032206
   0.36730298  0.46656181  0.83527206
   0.47344771  0.46000099  0.66930426
   0.23801999  0.35008611  0.68605717
   0.25798447  0.20609065 -0.12146952
   0.01941429  0.14917265  0.96597638
   0.14186353  0.60305039  0.10194730
   0.37338700  0.67833576  0.28022722
   0.14719526  0.85274349  0.04651865
   0.34051126  0.93298635  0.36259290
   0.41460492  0.91766504  0.17854787
   0.17418402  0.83219103  0.23155535
   0.31740785  0.62420205  0.45417257
   0.05961242  0.61252055  0.38383650
   0.17089155  0.43798204  0.51830040
   0.26875732  0.70477717  0.77579686
   0.07747111  0.70122991  0.55504770
   0.35389272  1.00538845  0.79697750
   0.49970896  0.91774164  0.64527809
   0.23315249  0.91799912  0.63075044
   0.29023793  0.66659593 -0.04193643
   0.03106241  0.68087042  0.92700532
   0.62294377  0.04943441  0.10887580
   0.83059856  0.19647282  0.22795670
   0.64101958  0.28901251  0.02032325
   0.84984057  0.44548513  0.36484552
   0.03070007  0.39070439  0.18460332
   0.76342570  0.42658625  0.16399952
   0.68524705  0.15481009  0.38729821
   0.45459949  0.13927636  0.46493517
   0.68247129  0.05361848  0.54831611
   0.84813196  0.23685570  0.81241526
   0.63945277  0.31021565  0.54866342
   0.86410966  0.48833753  0.87076414
   0.99141233  0.46180184  0.64946322
   0.75782120  0.42443585  0.70622460
   0.76497920  0.06983659  0.94059319
   0.50578380  0.08346939  0.94269499
   0.55924606  0.53066577  0.06191572
   0.89126436  0.69124542  0.24756272
   0.55178137  0.80600282  0.04581311
   0.87342341  0.95406600  0.32752294
   0.93100719  0.91674924  0.14562312
   0.67858165  0.85167722  0.22701878
   0.81814016  0.70829810  0.43093112
   0.57607322  0.59490653  0.38903133
   0.64138420  0.58798512  0.56546274
   0.83867521  0.74169553  0.80369770
   0.58197536  0.83013926  0.47719114
   0.95414431  0.97286329  0.84500521
   0.97510902  0.88094731  0.68115143
   0.73102003  0.97172347  0.73375059
   0.76997197  0.66953396  0.98967527
   0.52476241  0.66970616  0.88985115
   0.74015847  0.81352253  0.61513906
   0.47398340  0.83409643  0.46769487
   0.89760687  0.25431667  0.07692674
   0.91731034  0.41873076  0.33865193
   0.36249590  0.14929868  0.63566028
   0.30828718  0.74566235  0.72003497
   0.23480671  1.08712778  0.18367124
   0.25773000  1.15314933  0.04713457
   0.62553148  0.36136850  0.84215659
   0.89228841  0.46454918  0.65268446
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909158    0.068189   -0.193734
    -0.000000    9.958649    0.135922
    -0.000000    0.000000   13.752386
   Si   O    H 
    32    64    10
Direct configuration=  2849
   0.17086020  0.21169262 -0.02088268
   0.35286372  0.09522456  0.38400081
   0.15397109  0.43485829  0.11658404
   0.39689240  0.32038427  0.24931424
   0.05841761  0.12398156  0.47732035
   0.40112230  0.13531803  0.85822372
   0.10503163  0.36594248  0.61046040
   0.38201952  0.38305913  0.74043986
   0.14708395  0.69575254  0.01153247
   0.41446757  0.57679622  0.36852439
   0.09609106  0.92439573  0.14496762
   0.33643981  0.83815736  0.26499062
   0.15621873  0.59283266  0.48230818
   0.36705416  0.62940644  0.86321650
   0.08657305  0.85621909  0.59373129
   0.35630672  0.99923069  0.68064213
   0.64539959  0.12760994  1.00674880
   0.82855004  0.11815056  0.33393676
   0.62258598  0.39318215  0.10746248
   0.88773927  0.31817772  0.16669013
   0.61680351  0.17261018  0.48558880
   0.89613901  0.11362993  0.88369663
   0.62288536  0.44273349  0.61855880
   0.76381333  0.37823950  0.81779672
   0.60396010  0.66375424 -0.00548061
   0.90118993  0.61102150  0.35558293
   0.57380870  0.90268792  0.13933084
   0.84666238  0.84934427  0.23543359
   0.65921497  0.67683152  0.46867167
   0.87757726  0.64945868  0.89940613
   0.66109144  0.93827012  0.62547603
   0.86495938  0.88845054  0.76468996
   0.13537019  0.07912382  0.16314392
   0.36942675  0.15773342  0.27310878
   0.15941588  0.37436920  0.00483178
   0.40925759  0.41464718  0.34108293
   0.53535266  0.31121564  0.19303064
   0.29298103  0.40209460  0.18032766
   0.20027324  0.14291197  0.42558653
  -0.06021293  0.17938872  0.40848440
   0.02989441 -0.03756335  0.50322147
   0.45602326  0.24345858  0.77836926
   0.07449843  0.20955635  0.58024918
   0.36827234  0.46658748  0.83505275
   0.47442652  0.46043388  0.66854803
   0.23916230  0.35250581  0.68661539
   0.25681872  0.20771833 -0.12196407
   0.01970021  0.14790876  0.96702688
   0.14043940  0.60362469  0.10092898
   0.37581295  0.67851553  0.27932045
   0.14707687  0.85270261  0.04693108
   0.34024943  0.93052837  0.36389616
   0.41558649  0.91795541  0.17823246
   0.17562583  0.83391018  0.23089773
   0.31807320  0.62347927  0.45322098
   0.05999164  0.61067060  0.38322024
   0.16978752  0.43825293  0.51840656
   0.26991948  0.70337258  0.77741605
   0.07762495  0.70062159  0.55499226
   0.35445777  1.00235860  0.79706511
   0.49911700  0.91770381  0.64431895
   0.23388267  0.91715812  0.63138973
   0.29107233  0.66548647 -0.04129277
   0.03146804  0.68317820  0.92603016
   0.62172684  0.04994392  0.10845449
   0.83097723  0.19661679  0.22851115
   0.64217703  0.28757349  0.02070017
   0.84698346  0.44610915  0.36529574
   0.03060737  0.39075571  0.18548358
   0.76341575  0.42500259  0.16294029
   0.68625132  0.15557168  0.38699873
   0.45439764  0.14130583  0.46587397
   0.68166955  0.05511481  0.54855025
   0.84804786  0.23671853  0.81299382
   0.63876468  0.31025479  0.54807273
   0.86530550  0.48814371  0.87099214
   0.98959233  0.46237722  0.64948310
   0.75700594  0.42349109  0.70608733
   0.76406328  0.06840738  0.94158898
   0.50526072  0.08498329  0.94118788
   0.56105582  0.52993442  0.06042807
   0.89098894  0.69107735  0.24776099
   0.55199196  0.80588576  0.04449468
   0.87272552  0.95431392  0.32688733
   0.93136759  0.91728903  0.14544242
   0.67654736  0.85215082  0.22694065
   0.81859563  0.70673492  0.43042196
   0.57698394  0.59541892  0.38916708
   0.64220086  0.58757981  0.56611495
   0.83883864  0.74074682  0.80371451
   0.58246932  0.83162950  0.47713060
   0.95436051  0.97328575  0.84652415
   0.97580157  0.87985300  0.68018010
   0.73351549  0.97135128  0.73340841
   0.76865585  0.67064549  0.99083276
   0.52330964  0.66911236  0.88922846
   0.73779502  0.80515540  0.61377409
   0.47117086  0.83684638  0.47228331
   0.89339214  0.24841039  0.07395420
   0.94699913  0.39598640  0.33243005
   0.36558360  0.15462452  0.64261184
   0.30957044  0.75344692  0.71890833
   0.21956319  1.09137082  0.17808337
   0.26367426  1.14475530  0.05345133
   0.61761946  0.36547899  0.84185971
   0.91469455  0.45839968  0.63725375
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908565    0.070350   -0.193468
    -0.000000    9.960857    0.138304
    -0.000000    0.000000   13.752778
   Si   O    H 
    32    64    10
Direct configuration=  2850
   0.17014290  0.21178102 -0.02193099
   0.35378394  0.09480576  0.38461044
   0.15374011  0.43673497  0.11664233
   0.39737022  0.32050319  0.25015641
   0.05698671  0.12380080  0.47710716
   0.40206032  0.13556252  0.85871523
   0.10467320  0.36531524  0.61081954
   0.38243907  0.38234579  0.74025724
   0.14674586  0.69587183  0.01106213
   0.41455054  0.57861776  0.36815552
   0.09557521  0.92363303  0.14524492
   0.33682512  0.83793396  0.26549101
   0.15648006  0.59196830  0.48189913
   0.36736035  0.62981439  0.86214220
   0.08674128  0.85642236  0.59308156
   0.35679314  0.99920194  0.68020003
   0.64700667  0.12751212  1.00704237
   0.82948285  0.11760344  0.33453586
   0.62289282  0.39108739  0.10672432
   0.88706941  0.31693226  0.16606198
   0.61556210  0.17287485  0.48632355
   0.89674012  0.11485802  0.88414010
   0.62441356  0.44295468  0.61808925
   0.76225946  0.37881804  0.81807204
   0.60401587  0.66416608 -0.00570350
   0.90136930  0.61104310  0.35625300
   0.57289493  0.90086284  0.13925460
   0.84488892  0.84968680  0.23599669
   0.65878464  0.67866934  0.46907086
   0.87729002  0.64954035  0.90005672
   0.66341710  0.93815647  0.62486623
   0.86641186  0.88822037  0.76410421
   0.13486863  0.07955523  0.16305024
   0.36843478  0.15938389  0.27396587
   0.16044655  0.37540713  0.00516515
   0.40853094  0.41328721  0.34142249
   0.53658871  0.30960928  0.19321463
   0.29142479  0.40393166  0.18054985
   0.19992571  0.14183905  0.42573553
  -0.06087043  0.17731690  0.40887496
   0.03126686 -0.03828056  0.50428396
   0.45495101  0.24285471  0.77824340
   0.07496266  0.21021053  0.57960039
   0.36905497  0.46766886  0.83485245
   0.47558050  0.46062489  0.66761950
   0.24051065  0.35376333  0.68711098
   0.25576095  0.20835728 -0.12238613
   0.01955805  0.14635334  0.96749778
   0.13857604  0.60361334  0.10041337
   0.37859211  0.67922742  0.27806950
   0.14749551  0.85229089  0.04701806
   0.34007217  0.92721512  0.36520274
   0.41577896  0.91755791  0.17770998
   0.17618944  0.83513224  0.22998718
   0.31794840  0.62282012  0.45224271
   0.06070091  0.60836894  0.38260575
   0.16847998  0.43793489  0.51801112
   0.27215658  0.70284838  0.77860100
   0.07853533  0.69999526  0.55491167
   0.35507719  0.99873076  0.79740049
   0.49757511  0.91798836  0.64402654
   0.23476990  0.91618902  0.63171654
   0.29216843  0.66365010 -0.03964783
   0.03214116  0.68597881  0.92616377
   0.62113341  0.04992820  0.10850906
   0.83069938  0.19667737  0.22922903
   0.64358534  0.28710830  0.02101178
   0.84451556  0.44687015  0.36504401
   0.03010598  0.39063141  0.18656678
   0.76390170  0.42333859  0.16173450
   0.68735407  0.15564707  0.38566338
   0.45312618  0.14350898  0.46670284
   0.68174430  0.05636111  0.54870016
   0.84777521  0.23713511  0.81406109
   0.63768762  0.31066933  0.54791898
   0.86649535  0.48815750  0.87161850
   0.99315590  0.46230555  0.65030104
   0.75603074  0.42318028  0.70524211
   0.76306438  0.06735102  0.94287610
   0.50467744  0.08649965  0.93947330
   0.56249987  0.52997236  0.05950334
   0.89066432  0.69135265  0.24781223
   0.55236408  0.80564379  0.04331000
   0.87223427  0.95563455  0.32581918
   0.93117881  0.91748929  0.14546631
   0.67493500  0.85245940  0.22607671
   0.81840878  0.70483776  0.43033693
   0.57690227  0.59606747  0.38897756
   0.64329654  0.58717164  0.56703524
   0.83838601  0.74040738  0.80382408
   0.58223665  0.83245614  0.47721648
   0.95473657  0.97337316  0.84816809
   0.97652978  0.87874657  0.67923985
   0.73532469  0.97149157  0.73177933
   0.76806321  0.67067043  0.99171237
   0.52295685  0.66976848  0.88849185
   0.73710977  0.79988591  0.61364428
   0.48214318  0.84082678  0.47605006
   0.88955811  0.24620711  0.06712732
   0.95945169  0.37898712  0.33245782
   0.36686711  0.15216395  0.65066863
   0.30808109  0.75479223  0.72464767
   0.23525066  1.10113546  0.17765255
   0.26813013  1.13940846  0.05766485
   0.61255591  0.36722687  0.84020814
   0.86237456  0.44961764  0.61181745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907746    0.072350   -0.193261
    -0.000000    9.963285    0.140773
    -0.000000    0.000000   13.753226
   Si   O    H 
    32    64    10
Direct configuration=  2851
   0.16893321  0.21188371 -0.02322240
   0.35379566  0.09451069  0.38503792
   0.15371543  0.43816743  0.11646950
   0.39800268  0.32041333  0.25064874
   0.05608413  0.12324422  0.47717125
   0.40230604  0.13576278  0.85921797
   0.10355801  0.36383195  0.61129428
   0.38271287  0.38144400  0.74012511
   0.14709340  0.69660413  0.01031157
   0.41516054  0.57946588  0.36768903
   0.09496527  0.92216988  0.14586991
   0.33702786  0.83808203  0.26569895
   0.15672402  0.59156390  0.48142872
   0.36818987  0.63032885  0.86120256
   0.08661001  0.85721773  0.59217552
   0.35749335  0.99977780  0.67920630
   0.64788920  0.12682264  1.00733815
   0.83040891  0.11710641  0.33518416
   0.62280271  0.38984048  0.10572294
   0.88659215  0.31511136  0.16571424
   0.61451527  0.17300263  0.48669912
   0.89756534  0.11611235  0.88513785
   0.62576865  0.44292762  0.61803033
   0.76117301  0.37966999  0.81838706
   0.60371646  0.66529051 -0.00575196
   0.90100433  0.61113567  0.35649638
   0.57167536  0.89849519  0.13924544
   0.84286087  0.84999482  0.23658123
   0.65874826  0.68124137  0.46965352
   0.87715389  0.64978852  0.90033619
   0.66557263  0.93777761  0.62411066
   0.86806433  0.88765781  0.76331709
   0.13468111  0.08072399  0.16345142
   0.36843579  0.16071204  0.27476095
   0.16120074  0.37611354  0.00583919
   0.40774983  0.41275397  0.34216579
   0.53799361  0.30904562  0.19309299
   0.28956062  0.40574541  0.18075132
   0.20003259  0.14086361  0.42524077
  -0.06132308  0.17559469  0.40900934
   0.03211116 -0.03913510  0.50519171
   0.45477787  0.24198651  0.77815789
   0.07534426  0.21012998  0.57856251
   0.36930056  0.46886161  0.83518602
   0.47649266  0.46102843  0.66612928
   0.24118202  0.35417265  0.68739809
   0.25483503  0.20944010 -0.12185743
   0.01978199  0.14434651  0.96755347
   0.13693117  0.60266854  0.10010399
   0.38085545  0.68038070  0.27769120
   0.14665366  0.85170659  0.04668369
   0.33945152  0.92482545  0.36655907
   0.41601480  0.91701036  0.17723454
   0.17671539  0.83530031  0.22886436
   0.31731708  0.62272288  0.45164227
   0.06182979  0.60690713  0.38215892
   0.16780314  0.43823295  0.51711532
   0.27416894  0.70302139  0.77990416
   0.08009058  0.69963629  0.55485521
   0.35602353  0.99576566  0.79754169
   0.49568455  0.91868629  0.64393721
   0.23534683  0.91432384  0.63176174
   0.29261427  0.66217170 -0.03803494
   0.03249101  0.68781252  0.92619874
   0.62160166  0.05009742  0.10815167
   0.83061451  0.19657022  0.23024430
   0.64525569  0.28616567  0.02098948
   0.84344499  0.44765324  0.36473667
   0.02913001  0.39028126  0.18774467
   0.76409514  0.42245779  0.16045550
   0.68924438  0.15533385  0.38393072
   0.45282888  0.14524347  0.46777938
   0.68213668  0.05726105  0.54870680
   0.84752238  0.23760095  0.81520720
   0.63665640  0.31122240  0.54804162
   0.86632721  0.48783786  0.87197819
   0.99471546  0.46254147  0.65141816
   0.75481751  0.42377273  0.70372394
   0.76279306  0.06583471  0.94464529
   0.50410986  0.08780605  0.93796973
   0.56353071  0.52996167  0.05838935
   0.88981869  0.69133402  0.24805304
   0.55298960  0.80526671  0.04301863
   0.87179478  0.95661102  0.32540382
   0.93093455  0.91689045  0.14523261
   0.67281389  0.85223756  0.22506395
   0.81818695  0.70293376  0.43057483
   0.57672918  0.59615259  0.38877774
   0.64488703  0.58666561  0.56807123
   0.83734298  0.74005406  0.80333615
   0.58192908  0.83410834  0.47773649
   0.95525090  0.97331919  0.84925011
   0.97746408  0.87753019  0.67831590
   0.73614561  0.97139393  0.72947497
   0.76833847  0.67077551  0.99261563
   0.52289746  0.67075562  0.88808244
   0.73420216  0.80230932  0.61601029
   0.49876152  0.84416861  0.48084618
   0.88589097  0.24764098  0.06362131
   0.96100143  0.37323742  0.33819455
   0.36817671  0.14215767  0.65853925
   0.30407589  0.75676609  0.73028441
   0.24300930  1.10819170  0.17593201
   0.26589490  1.13710019  0.05670124
   0.61336311  0.36976099  0.83957915
   0.83300076  0.44037168  0.59395240
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906698    0.074720   -0.193604
    -0.000000    9.965685    0.142998
    -0.000000    0.000000   13.753909
   Si   O    H 
    32    64    10
Direct configuration=  2852
   0.16815261  0.21221561 -0.02425237
   0.35288526  0.09437106  0.38496398
   0.15336764  0.43970001  0.11639239
   0.39835794  0.31983711  0.25084479
   0.05503667  0.12295332  0.47729010
   0.40177184  0.13603272  0.85953641
   0.10238753  0.36236527  0.61202122
   0.38301336  0.38018438  0.74014768
   0.14724969  0.69772321  0.00894478
   0.41585509  0.57996335  0.36705511
   0.09415175  0.92067456  0.14643168
   0.33673417  0.83762643  0.26561975
   0.15697529  0.59088433  0.48101298
   0.36884112  0.63018184  0.86054364
   0.08656945  0.85780995  0.59128698
   0.35824565  0.99994252  0.67840634
   0.64837236  0.12600084  1.00767998
   0.83192794  0.11658061  0.33573420
   0.62259842  0.38853098  0.10487637
   0.88614691  0.31351710  0.16489284
   0.61326590  0.17262266  0.48657829
   0.89889199  0.11730860  0.88603589
   0.62707661  0.44300713  0.61859305
   0.76006506  0.38090579  0.81860187
   0.60326409  0.66660060 -0.00520726
   0.90076286  0.61124050  0.35687169
   0.56987415  0.89618539  0.13926021
   0.84169263  0.85072400  0.23679032
   0.65879065  0.68347075  0.47025522
   0.87677499  0.64963144  0.90007360
   0.66673240  0.93737776  0.62395519
   0.86910012  0.88743165  0.76275569
   0.13459014  0.08202516  0.16356756
   0.36873893  0.16122271  0.27606673
   0.16222599  0.37677180  0.00674903
   0.40684268  0.41291023  0.34322623
   0.53945715  0.30827184  0.19289187
   0.28908776  0.40756311  0.18035457
   0.20108492  0.13951175  0.42400462
  -0.06137223  0.17388621  0.40942425
   0.03355096 -0.04065701  0.50646539
   0.45483493  0.24066074  0.77829890
   0.07512653  0.21041927  0.57710454
   0.36850651  0.47055324  0.83601039
   0.47799805  0.46166039  0.66482536
   0.24099831  0.35399890  0.68763284
   0.25407593  0.21108548 -0.12124669
   0.02138947  0.14281515  0.96732568
   0.13607397  0.60097672  0.09991678
   0.38284155  0.68091118  0.27735958
   0.14594265  0.85186945  0.04624508
   0.33969061  0.92293048  0.36732781
   0.41632441  0.91590122  0.17682062
   0.17774249  0.83543752  0.22788616
   0.31671904  0.62257083  0.45157930
   0.06311923  0.60511658  0.38156294
   0.16746326  0.43880688  0.51639169
   0.27463558  0.70275611  0.78074361
   0.08118967  0.69987613  0.55496145
   0.35670552  0.99299862  0.79783601
   0.49383973  0.91910045  0.64354800
   0.23599392  0.91142582  0.63257401
   0.29260005  0.66049340 -0.03633951
   0.03283847  0.68922202  0.92589589
   0.62160074  0.04947223  0.10707765
   0.83043910  0.19575432  0.23173547
   0.64674198  0.28547235  0.02013913
   0.84414336  0.44864910  0.36440274
   0.02812530  0.38936568  0.18897069
   0.76498006  0.42209397  0.15936539
   0.69070630  0.15551540  0.38222765
   0.45270952  0.14668355  0.46877713
   0.68250074  0.05830089  0.54861818
   0.84722910  0.23805039  0.81663329
   0.63538525  0.31166763  0.54817163
   0.86629464  0.48825934  0.87277764
   0.99509573  0.46302730  0.65187589
   0.75321157  0.42426931  0.70142289
   0.76328162  0.06495506  0.94632432
   0.50420458  0.08908804  0.93643117
   0.56406618  0.52963927  0.05758384
   0.88990325  0.69081071  0.24850657
   0.55321683  0.80497023  0.04343752
   0.87085136  0.95750391  0.32487684
   0.93104278  0.91635701  0.14494982
   0.67153610  0.85205614  0.22399131
   0.81769455  0.70137100  0.43159176
   0.57610608  0.59686357  0.38809668
   0.64646438  0.58582372  0.56861460
   0.83615273  0.73985671  0.80374819
   0.58483241  0.83501806  0.47866828
   0.95506338  0.97301290  0.84983648
   0.97790031  0.87560942  0.67756683
   0.73669098  0.97092349  0.72759004
   0.76885267  0.67166573  0.99318866
   0.52290640  0.67123065  0.88806149
   0.73306161  0.80758172  0.61564775
   0.47075199  0.85312845  0.48652156
   0.88444606  0.25183558  0.06510147
   0.94845408  0.37558063  0.34591131
   0.36840637  0.12761411  0.66317469
   0.30727630  0.76887739  0.72655867
   0.23724919  1.10902450  0.17247540
   0.25854019  1.13659334  0.05125969
   0.61640877  0.37351405  0.84191179
   0.81705098  0.43006657  0.58287861
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904976    0.077037   -0.193694
    -0.000000    9.967576    0.144782
    -0.000000    0.000000   13.754620
   Si   O    H 
    32    64    10
Direct configuration=  2853
   0.16736529  0.21240121 -0.02503912
   0.35171131  0.09444017  0.38500358
   0.15311686  0.44144824  0.11645145
   0.39859779  0.31906120  0.25082918
   0.05450790  0.12198287  0.47740970
   0.40117045  0.13639567  0.85921525
   0.10126179  0.36108381  0.61265899
   0.38296004  0.37901494  0.74025143
   0.14720365  0.69921460  0.00773773
   0.41699131  0.58002516  0.36659390
   0.09326945  0.91932005  0.14631298
   0.33668396  0.83715609  0.26540526
   0.15720009  0.59016344  0.48085607
   0.36920143  0.62964648  0.85992916
   0.08628638  0.85929718  0.59029837
   0.35846437  0.99907140  0.67766942
   0.64834220  0.12497981  1.00799648
   0.83265874  0.11594851  0.33592577
   0.62201524  0.38780102  0.10443254
   0.88532390  0.31220236  0.16376253
   0.61205390  0.17257853  0.48622613
   0.90052971  0.11822330  0.88722453
   0.62839419  0.44263802  0.61910457
   0.75952176  0.38265145  0.81858272
   0.60293887  0.66826130 -0.00500339
   0.90063038  0.61084960  0.35712303
   0.56814459  0.89438960  0.13917848
   0.84068796  0.85113534  0.23743591
   0.65835787  0.68514357  0.47082469
   0.87584520  0.64953569  0.89971632
   0.66773976  0.93698443  0.62320992
   0.87017717  0.88760100  0.76244847
   0.13517498  0.08343121  0.16307544
   0.36956305  0.16217565  0.27751813
   0.16330527  0.37679078  0.00708147
   0.40561209  0.41283862  0.34410279
   0.54054625  0.30806266  0.19239777
   0.28928397  0.40957758  0.18000941
   0.20294220  0.13772214  0.42293640
  -0.06117547  0.17144965  0.40972361
   0.03536955 -0.04117124  0.50729680
   0.45513069  0.23919595  0.77824379
   0.07410080  0.21024502  0.57621715
   0.36766665  0.47198105  0.83716290
   0.47902440  0.46317046  0.66343781
   0.24063451  0.35436168  0.68784900
   0.25395252  0.21214877 -0.12072860
   0.02352694  0.14227693  0.96668252
   0.13547469  0.59873340  0.10039192
   0.38446415  0.68126293  0.27742297
   0.14493347  0.85215438  0.04619240
   0.33931479  0.92199196  0.36815394
   0.41683347  0.91517199  0.17656682
   0.17846804  0.83467321  0.22781125
   0.31653325  0.62223155  0.45114793
   0.06481352  0.60336206  0.38098413
   0.16707189  0.43945067  0.51572772
   0.27543915  0.70318851  0.78119322
   0.08279002  0.70032499  0.55481582
   0.35735611  0.99001669  0.79829892
   0.49213438  0.91981412  0.64292442
   0.23644577  0.90856511  0.63339403
   0.29316774  0.65825391 -0.03533873
   0.03258192  0.69047048  0.92553973
   0.62146451  0.04879832  0.10608135
   0.83022499  0.19399972  0.23311871
   0.64790496  0.28470750  0.01915781
   0.84493496  0.44972166  0.36329197
   0.02743445  0.38752844  0.18972869
   0.76543297  0.42230989  0.15819645
   0.69206638  0.15619060  0.38063026
   0.45369992  0.14806649  0.46988418
   0.68288038  0.05862005  0.54887558
   0.84713727  0.23829699  0.81780769
   0.63394734  0.31185085  0.54800866
   0.86518820  0.48889893  0.87320688
   0.99578731  0.46320622  0.65251965
   0.75139615  0.42457779  0.69840154
   0.76484991  0.06432351  0.94802092
   0.50515816  0.09145266  0.93562208
   0.56434188  0.52947859  0.05705606
   0.89030491  0.68968987  0.24941132
   0.55359274  0.80391721  0.04400605
   0.87016413  0.95913045  0.32470655
   0.93147054  0.91598935  0.14502889
   0.67118229  0.85172239  0.22317233
   0.81673501  0.69969991  0.43224984
   0.57510964  0.59776427  0.38790976
   0.64802498  0.58523467  0.56818723
   0.83490981  0.73985685  0.80414643
   0.58696187  0.83516098  0.47999000
   0.95513374  0.97261409  0.84990576
   0.97874823  0.87322221  0.67689847
   0.73685172  0.97019144  0.72582535
   0.76871366  0.67273987  0.99371015
   0.52322774  0.67182487  0.88810584
   0.73227947  0.80987290  0.61606171
   0.45692106  0.86082478  0.48970726
   0.88121128  0.25737153  0.06709653
   0.92219328  0.38641874  0.35433062
   0.36845509  0.12791929  0.66052153
   0.30593176  0.76645608  0.72981850
   0.22416342  1.10020013  0.16927438
   0.25003326  1.13934783  0.04525271
   0.62032677  0.37557187  0.84521932
   0.80365790  0.42009522  0.57444765
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903255    0.080168   -0.193609
    -0.000000    9.969707    0.146699
    -0.000000    0.000000   13.755215
   Si   O    H 
    32    64    10
Direct configuration=  2854
   0.16677385  0.21234395 -0.02534469
   0.35052365  0.09439018  0.38494635
   0.15341035  0.44256637  0.11665962
   0.39927274  0.31909298  0.25058893
   0.05506179  0.12117058  0.47775233
   0.40024011  0.13710458  0.85781101
   0.10064183  0.35988064  0.61343043
   0.38284868  0.37727055  0.74072986
   0.14708000  0.70061315  0.00648892
   0.41815322  0.57982141  0.36620338
   0.09263711  0.91828062  0.14620216
   0.33634853  0.83628301  0.26515111
   0.15740651  0.58945731  0.48086446
   0.36945174  0.62944538  0.85978732
   0.08635706  0.86040323  0.58962258
   0.35898855  0.99792536  0.67737281
   0.64791830  0.12362481  1.00798701
   0.83342290  0.11549480  0.33590322
   0.62208605  0.38736686  0.10408255
   0.88496814  0.31075557  0.16289573
   0.61186707  0.17224351  0.48607062
   0.90201222  0.11864721  0.88845652
   0.62981126  0.44282307  0.61973029
   0.75998048  0.38519786  0.81890735
   0.60268725  0.66944946 -0.00467570
   0.90138158  0.61001390  0.35749521
   0.56687605  0.89261176  0.13855550
   0.83908765  0.85153200  0.23825282
   0.65743328  0.68646057  0.47135480
   0.87535153  0.64939506  0.89988421
   0.66782849  0.93645412  0.62218458
   0.87188474  0.88794988  0.76223134
   0.13395425  0.08329633  0.16291740
   0.37027974  0.16259813  0.27887828
   0.16420175  0.37649498  0.00765716
   0.40399159  0.41374356  0.34468315
   0.54109233  0.30774483  0.19122415
   0.28945025  0.41107400  0.17996462
   0.20482267  0.13600634  0.42202712
  -0.06147191  0.17093270  0.41015724
   0.03708348 -0.04146027  0.50733912
   0.45628689  0.23811931  0.77724454
   0.07295965  0.21001577  0.57552127
   0.36704131  0.47385742  0.83857605
   0.47950404  0.46441684  0.66241204
   0.24003255  0.35408440  0.68888902
   0.25444546  0.21265332 -0.12014025
   0.02482756  0.14268343  0.96629178
   0.13503589  0.59646118  0.10090729
   0.38576173  0.68163371  0.27781119
   0.14430492  0.85253663  0.04607154
   0.33891000  0.92225437  0.36905510
   0.41758112  0.91444491  0.17639583
   0.17918764  0.83379785  0.22784776
   0.31639835  0.62203968  0.45097453
   0.06661122  0.60225223  0.38040435
   0.16713473  0.43995080  0.51529964
   0.27675541  0.70391011  0.78149356
   0.08483828  0.70040740  0.55434972
   0.35733094  0.98746797  0.79914379
   0.49122115  0.92056349  0.64196601
   0.23747464  0.90596843  0.63406987
   0.29396409  0.65599495 -0.03439552
   0.03137682  0.69121861  0.92520535
   0.62106241  0.04794154  0.10529594
   0.83039319  0.19227329  0.23441625
   0.64880610  0.28444031  0.01874717
   0.84633037  0.45005910  0.36256658
   0.02702912  0.38521661  0.18998511
   0.76574176  0.42232205  0.15721745
   0.69272747  0.15691478  0.37972039
   0.45417645  0.14857938  0.47065363
   0.68305118  0.05843733  0.54911474
   0.84683250  0.23891993  0.81868712
   0.63287364  0.31248905  0.54801013
   0.86382946  0.48976824  0.87356212
   0.99558458  0.46332679  0.65329445
   0.74944969  0.42481049  0.69550518
   0.76704751  0.06400996  0.94963217
   0.50687247  0.09355375  0.93555055
   0.56567493  0.52951145  0.05616808
   0.88981876  0.68933025  0.25052715
   0.55421422  0.80268344  0.04485761
   0.86878014  0.96016872  0.32474230
   0.93109646  0.91593642  0.14507430
   0.67207416  0.85094542  0.22324441
   0.81460783  0.69826926  0.43293805
   0.57429362  0.59866929  0.38785262
   0.64985916  0.58566494  0.56793962
   0.83313068  0.73966272  0.80473292
   0.58865213  0.83613444  0.48070402
   0.95510584  0.97299404  0.84933971
   0.97919365  0.87109485  0.67559488
   0.73653977  0.96894678  0.72423532
   0.76881270  0.67349451  0.99414156
   0.52337926  0.67243491  0.88835124
   0.73381076  0.80708808  0.61502198
   0.46145167  0.86417461  0.49047699
   0.88221174  0.25786091  0.06777195
   0.89565101  0.40339084  0.35846531
   0.36851374  0.14352081  0.65288959
   0.30437053  0.76549442  0.73627364
   0.23286086  1.09393919  0.16858280
   0.24212206  1.14073249  0.03977609
   0.62230651  0.38023728  0.85059128
   0.80063499  0.40809650  0.57091284
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901913    0.083658   -0.193100
    -0.000000    9.971911    0.148413
    -0.000000    0.000000   13.756113
   Si   O    H 
    32    64    10
Direct configuration=  2855
   0.16701824  0.21226202 -0.02601071
   0.34892903  0.09421137  0.38523037
   0.15361015  0.44339169  0.11688815
   0.39996440  0.31927367  0.25078046
   0.05589627  0.12008185  0.47830116
   0.39873283  0.13736316  0.85654016
   0.10035975  0.35906866  0.61407817
   0.38276308  0.37604325  0.74082457
   0.14697865  0.70216857  0.00563101
   0.41934222  0.57961808  0.36578944
   0.09246841  0.91759093  0.14611032
   0.33621447  0.83570125  0.26502975
   0.15706351  0.58932269  0.48106736
   0.36966981  0.62947915  0.85960731
   0.08608311  0.86073840  0.58921177
   0.35974182  0.99655326  0.67736742
   0.64697856  0.12208461  1.00793522
   0.83412770  0.11475326  0.33489497
   0.62165754  0.38808332  0.10402470
   0.88492446  0.30953447  0.16177537
   0.61216664  0.17277072  0.48538396
   0.90304192  0.11859853  0.88977281
   0.63092519  0.44346955  0.62004630
   0.76040281  0.38732645  0.81903698
   0.60239453  0.67003191 -0.00426933
   0.90224036  0.60960964  0.35798694
   0.56553862  0.89126736  0.13745063
   0.83787372  0.85206249  0.23883905
   0.65617208  0.68675301  0.47183507
   0.87506776  0.64895121  0.89989104
   0.66722620  0.93539124  0.62132232
   0.87372705  0.88836729  0.76233003
   0.13325364  0.08300510  0.16281741
   0.37137235  0.16284479  0.28060047
   0.16412055  0.37677237  0.00854833
   0.40413594  0.41524745  0.34553479
   0.54161363  0.30802128  0.18994874
   0.28999881  0.41220059  0.17945016
   0.20626260  0.13479058  0.42130371
  -0.06097578  0.17103981  0.41027897
   0.03930540 -0.04117879  0.50645985
   0.45745144  0.23769685  0.77703586
   0.07076862  0.20840863  0.57517906
   0.36588058  0.47523296  0.83945753
   0.47908984  0.46482502  0.66152229
   0.23949690  0.35376545  0.69026637
   0.25484994  0.21316945 -0.11917788
   0.02517739  0.14367039  0.96563854
   0.13407303  0.59542793  0.10154234
   0.38647536  0.68320905  0.27764728
   0.14459160  0.85294985  0.04593982
   0.33927454  0.92284048  0.36978089
   0.41850848  0.91383170  0.17669368
   0.18022218  0.83274171  0.22853309
   0.31653937  0.62167160  0.45090562
   0.06813134  0.60161908  0.37945791
   0.16699384  0.44015672  0.51519145
   0.27780216  0.70400603  0.78190500
   0.08655242  0.70041974  0.55316015
   0.35639425  0.98627864  0.79993671
   0.49180505  0.92084649  0.64057897
   0.23878753  0.90289022  0.63439516
   0.29534131  0.65455390 -0.03337953
   0.03036958  0.69124070  0.92424962
   0.62054057  0.04681012  0.10581417
   0.83053039  0.19104112  0.23542880
   0.65005514  0.28449698  0.01807467
   0.84280107  0.45582055  0.36219331
   0.02774155  0.38281830  0.19057833
   0.76535463  0.42233131  0.15657100
   0.69231551  0.15714324  0.37947789
   0.45423622  0.14871496  0.47107083
   0.68322248  0.05804103  0.54950643
   0.84659080  0.23982235  0.81975320
   0.63133554  0.31316796  0.54826356
   0.86244169  0.49097883  0.87360586
   0.99569984  0.46250671  0.65414661
   0.74819165  0.42466294  0.69361203
   0.76962445  0.06360562  0.95090010
   0.50836351  0.09605244  0.93624281
   0.56749874  0.52963892  0.05520204
   0.88906453  0.68941786  0.25166058
   0.55553478  0.80083533  0.04623305
   0.86713352  0.96077691  0.32479780
   0.93008291  0.91553279  0.14506204
   0.67325051  0.85070809  0.22369710
   0.81243706  0.69608713  0.43338157
   0.57318048  0.59988034  0.38817022
   0.65231948  0.58645693  0.56699898
   0.83159607  0.73923328  0.80535290
   0.58874826  0.83735934  0.48063289
   0.95464827  0.97349202  0.84838373
   0.97993146  0.86883276  0.67473139
   0.73647271  0.96844930  0.72273127
   0.76905846  0.67456985  0.99462184
   0.52456137  0.67315589  0.88834172
   0.73467779  0.80124862  0.61501975
   0.47696831  0.86422625  0.48961634
   0.88131878  0.25784395  0.06692290
   0.94282582  0.34650363  0.35743337
   0.36388029  0.15756651  0.64383600
   0.30701827  0.77550631  0.73591417
   0.23972640  1.09053161  0.16876470
   0.24176632  1.13546010  0.04119427
   0.62573019  0.38453879  0.85404526
   0.80198122  0.39779578  0.57099372
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900565    0.087785   -0.192632
    -0.000000    9.973758    0.150655
    -0.000000    0.000000   13.757570
   Si   O    H 
    32    64    10
Direct configuration=  2856
   0.16670471  0.21257995 -0.02671551
   0.34707410  0.09433849  0.38529749
   0.15366915  0.44377162  0.11697043
   0.40065860  0.32023176  0.25078319
   0.05720810  0.11855343  0.47888537
   0.39698925  0.13685684  0.85530194
   0.09938757  0.35882298  0.61468718
   0.38244322  0.37474055  0.74088294
   0.14733748  0.70295136  0.00462343
   0.42009157  0.57921793  0.36541187
   0.09197907  0.91735441  0.14634164
   0.33634842  0.83601515  0.26484094
   0.15696728  0.58939453  0.48128937
   0.36971062  0.62938570  0.85952175
   0.08614681  0.86047500  0.58870832
   0.36063783  0.99536585  0.67725680
   0.64547780  0.12047933  1.00783708
   0.83439381  0.11401014  0.33389425
   0.62146248  0.38857607  0.10420161
   0.88461262  0.30853048  0.16101495
   0.61277419  0.17306538  0.48491508
   0.90354305  0.11817558  0.89122493
   0.63162565  0.44416379  0.62011262
   0.76105533  0.38923835  0.81903428
   0.60182494  0.66999065 -0.00393758
   0.90251369  0.60901840  0.35852831
   0.56378606  0.89021868  0.13639795
   0.83708641  0.85201472  0.23935531
   0.65517786  0.68669615  0.47210751
   0.87527309  0.64883569  0.89996628
   0.66599151  0.93455283  0.62006647
   0.87525986  0.88796000  0.76245179
   0.13266550  0.08289829  0.16279584
   0.37286475  0.16370738  0.28213707
   0.16378169  0.37638387  0.00975661
   0.40408039  0.41745166  0.34656155
   0.54198671  0.30882773  0.18831079
   0.29079808  0.41297981  0.17902138
   0.20673790  0.13317794  0.42101417
  -0.06016200  0.17103120  0.41017567
   0.04101659 -0.04035277  0.50512622
   0.45796338  0.23704128  0.77693281
   0.06934353  0.20604759  0.57468726
   0.36538054  0.47541571  0.83957121
   0.47881034  0.46509866  0.66121740
   0.23887370  0.35308233  0.69131741
   0.25543732  0.21343019 -0.11892759
   0.02510765  0.14534625  0.96497557
   0.13281720  0.59520648  0.10134018
   0.38727177  0.68495227  0.27672633
   0.14509063  0.85303915  0.04542814
   0.34068741  0.92315151  0.37058796
   0.41903178  0.91275626  0.17735105
   0.18112447  0.83167300  0.22920105
   0.31653203  0.62216808  0.45081957
   0.06953114  0.60163700  0.37859031
   0.16657797  0.43984864  0.51506685
   0.27860100  0.70412984  0.78162142
   0.08886751  0.70070656  0.55183783
   0.35587103  0.98543262  0.80066021
   0.49289480  0.92099718  0.63937732
   0.23927577  0.90095006  0.63420815
   0.29605661  0.65321866 -0.03280797
   0.02939400  0.69074908  0.92401386
   0.62008087  0.04498995  0.10665811
   0.83137362  0.18979672  0.23642396
   0.65074487  0.28418357  0.01764414
   0.84081640  0.46058605  0.36234540
   0.02806088  0.38049252  0.19071507
   0.76492705  0.42214128  0.15576433
   0.69196586  0.15723718  0.38019691
   0.45384413  0.14780619  0.47150310
   0.68392056  0.05720304  0.54923131
   0.84596929  0.24079583  0.82067294
   0.62982324  0.31415593  0.54912244
   0.86060727  0.49213387  0.87339359
   0.99539851  0.46139120  0.65523287
   0.74776447  0.42405671  0.69271384
   0.77226332  0.06374080  0.95177902
   0.50986001  0.09879793  0.93748302
   0.56900455  0.53036228  0.05521193
   0.88841487  0.68980640  0.25325061
   0.55681309  0.79996704  0.04726780
   0.86540832  0.96073562  0.32434878
   0.92803045  0.91457143  0.14554440
   0.67398068  0.85065060  0.22460153
   0.81029408  0.69373190  0.43376002
   0.57232354  0.60006860  0.38908049
   0.65457961  0.58740042  0.56580549
   0.83113882  0.73870848  0.80638061
   0.58709069  0.83786812  0.48100741
   0.95276173  0.97435738  0.84798383
   0.98051663  0.86698306  0.67404794
   0.73574268  0.96748866  0.72213308
   0.76947946  0.67582382  0.99442060
   0.52629082  0.67349351  0.88830953
   0.73661666  0.79725388  0.61425764
   0.50004053  0.86305011  0.48711112
   0.88613140  0.25178945  0.06466133
   0.97455109  0.30864374  0.35680234
   0.35700026  0.16048174  0.63362795
   0.31048156  0.78039545  0.73952140
   0.23832634  1.08852174  0.16916958
   0.24585562  1.12697624  0.04484592
   0.63142612  0.38708482  0.85698494
   0.80533235  0.38750038  0.57356244
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899503    0.091912   -0.191722
    -0.000000    9.975209    0.153093
    -0.000000    0.000000   13.759270
   Si   O    H 
    32    64    10
Direct configuration=  2857
   0.16654392  0.21258535 -0.02687654
   0.34601194  0.09417890  0.38571858
   0.15327360  0.44357779  0.11738918
   0.40059227  0.32149244  0.25115800
   0.05865707  0.11678359  0.47970615
   0.39571236  0.13577883  0.85421137
   0.09864973  0.35932425  0.61496643
   0.38200667  0.37422005  0.74120929
   0.14801435  0.70340803  0.00406375
   0.42043995  0.57873199  0.36526957
   0.09087045  0.91786068  0.14679276
   0.33606790  0.83607440  0.26451855
   0.15627901  0.59004084  0.48113876
   0.36966895  0.62983320  0.85976051
   0.08685069  0.86036112  0.58843621
   0.36161804  0.99510761  0.67690621
   0.64387799  0.11890106  1.00685904
   0.83412540  0.11336964  0.33264769
   0.62126549  0.38900058  0.10446977
   0.88394413  0.30796830  0.16028685
   0.61425666  0.17348209  0.48458180
   0.90375280  0.11687320  0.89260389
   0.63194532  0.44493089  0.61968879
   0.76190373  0.39117208  0.81938527
   0.60100264  0.66976801 -0.00443421
   0.90249541  0.60835355  0.35852978
   0.56248584  0.89042433  0.13534612
   0.83616830  0.85153567  0.23959319
   0.65477634  0.68619487  0.47234660
   0.87546493  0.64850910  0.90012288
   0.66509433  0.93292164  0.61869539
   0.87731071  0.88702064  0.76239237
   0.13160948  0.08172970  0.16352565
   0.37354747  0.16507253  0.28333684
   0.16384856  0.37534024  0.01085867
   0.40383075  0.41872370  0.34718218
   0.54162740  0.30943547  0.18699651
   0.29181043  0.41303792  0.17866601
   0.20636602  0.13221889  0.42121305
  -0.05860862  0.17131191  0.40993847
   0.04190048 -0.03900282  0.50384155
   0.45934407  0.23670273  0.77650697
   0.06768042  0.20397586  0.57428167
   0.36492287  0.47531356  0.83956761
   0.47917676  0.46517793  0.66121116
   0.23703786  0.35206765  0.69224406
   0.25599270  0.21329661 -0.11867401
   0.02469674  0.14697134  0.96517006
   0.13127854  0.59648866  0.10089722
   0.38739014  0.68675335  0.27627988
   0.14520973  0.85388552  0.04508473
   0.34211780  0.92428024  0.37055233
   0.41981595  0.91192469  0.17808687
   0.18200094  0.83071389  0.22993016
   0.31717872  0.62308522  0.45095995
   0.07146982  0.60229738  0.37760759
   0.16644450  0.43846117  0.51565252
   0.27920499  0.70527757  0.78028644
   0.09167163  0.70147892  0.55033915
   0.35500684  0.98512901  0.80093413
   0.49450465  0.92183376  0.63805436
   0.23905077  0.89883215  0.63416867
   0.29647715  0.65217853 -0.03290540
   0.02786174  0.68968117  0.92329507
   0.61936381  0.04326301  0.10762393
   0.83246549  0.18940916  0.23708609
   0.65178326  0.28388978  0.01704733
   0.83888995  0.46462366  0.36213864
   0.02872040  0.37764441  0.19052538
   0.76443028  0.42188251  0.15531591
   0.69207423  0.15714728  0.38107106
   0.45285863  0.14637134  0.47176111
   0.68526859  0.05629720  0.54865637
   0.84545499  0.24237905  0.82191195
   0.62888004  0.31418638  0.54959041
   0.85843052  0.49369608  0.87318992
   0.99528283  0.45980835  0.65652814
   0.74823565  0.42349120  0.69304803
   0.77525322  0.06422461  0.95261383
   0.51062059  0.10095215  0.93883702
   0.57077079  0.53177258  0.05526244
   0.88710307  0.69114713  0.25493613
   0.55701632  0.79916977  0.04822952
   0.86294228  0.96097957  0.32425295
   0.92665986  0.91373420  0.14607818
   0.67445077  0.84994850  0.22530139
   0.80789223  0.69319381  0.43472934
   0.57112136  0.60085864  0.38992735
   0.65665346  0.58855010  0.56555648
   0.83115612  0.73865817  0.80761515
   0.58609404  0.83786730  0.48128319
   0.95096287  0.97484729  0.84723422
   0.98105523  0.86571953  0.67340124
   0.73557065  0.96732989  0.72167522
   0.77000919  0.67676092  0.99395842
   0.52716436  0.67372405  0.88865265
   0.73649285  0.79603959  0.61484273
   0.50433912  0.86549033  0.48346192
   0.88980677  0.24583640  0.06137934
   0.99784854  0.27511035  0.35792160
   0.34898287  0.15288420  0.62648903
   0.31178206  0.78038401  0.74575641
   0.22539445  1.08942632  0.17015496
   0.24762955  1.12394119  0.04657717
   0.63399650  0.39100953  0.86242124
   0.80965456  0.38027460  0.57627883
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898868    0.096034   -0.190522
    -0.000000    9.976774    0.155347
    -0.000000    0.000000   13.761352
   Si   O    H 
    32    64    10
Direct configuration=  2858
   0.16689652  0.21275096 -0.02664287
   0.34577330  0.09380555  0.38603324
   0.15248544  0.44271911  0.11813166
   0.40032698  0.32286041  0.25132492
   0.06018930  0.11502704  0.48037056
   0.39389782  0.13508204  0.85325174
   0.09849768  0.36058973  0.61524052
   0.38186262  0.37426147  0.74150966
   0.14870858  0.70333269  0.00358233
   0.41988828  0.57777860  0.36477466
   0.09042897  0.91754473  0.14739454
   0.33562923  0.83645097  0.26425753
   0.15541593  0.59064257  0.48057004
   0.36972500  0.62966139  0.86035644
   0.08738702  0.85984730  0.58887252
   0.36289143  0.99481273  0.67680353
   0.64244709  0.11774360  1.00596610
   0.83300536  0.11274639  0.33176357
   0.62086101  0.38979878  0.10447148
   0.88370288  0.30718237  0.15984943
   0.61591053  0.17416923  0.48412237
   0.90358989  0.11551053  0.89365192
   0.63200250  0.44583287  0.61900609
   0.76321962  0.39270332  0.81966086
   0.60048765  0.66882014 -0.00512624
   0.90342903  0.60729410  0.35901615
   0.56302626  0.89070519  0.13462968
   0.83488264  0.85074372  0.23946472
   0.65447678  0.68520878  0.47251837
   0.87579254  0.64799429  0.90054049
   0.66402949  0.93104934  0.61755856
   0.87929165  0.88568297  0.76274267
   0.12978918  0.07995193  0.16379270
   0.37453177  0.16698402  0.28396303
   0.16416900  0.37452321  0.01122725
   0.40382696  0.41971940  0.34711840
   0.54166382  0.31044979  0.18651972
   0.29346228  0.41222632  0.17861184
   0.20500607  0.13077633  0.42175087
  -0.05597079  0.17201008  0.40958352
   0.04203950 -0.03666060  0.50229718
   0.46079951  0.23637964  0.77544639
   0.06617127  0.20230377  0.57456669
   0.36469147  0.47499434  0.83915221
   0.47886674  0.46460492  0.66174474
   0.23524983  0.35050788  0.69224626
   0.25667219  0.21368501 -0.11892900
   0.02502654  0.14970359  0.96494199
   0.12948224  0.59821161  0.10047750
   0.38744019  0.68855406  0.27541712
   0.14440908  0.85493677  0.04430456
   0.34406285  0.92601240  0.36992850
   0.42094136  0.91142074  0.17903425
   0.18277316  0.83143017  0.22976364
   0.31787819  0.62380516  0.45109347
   0.07296142  0.60329308  0.37674232
   0.16697031  0.43673348  0.51642915
   0.27960565  0.70580707  0.77888853
   0.09431552  0.70368619  0.54905161
   0.35462956  0.98497543  0.80067426
   0.49620434  0.92201013  0.63711344
   0.23792957  0.89764400  0.63380597
   0.29628330  0.65179224 -0.03267052
   0.02633677  0.68797355  0.92285509
   0.61899711  0.04105370  0.10885836
   0.83447954  0.18945759  0.23695835
   0.65334738  0.28353941  0.01677898
   0.83756820  0.46806402  0.36218372
   0.02925309  0.37492562  0.19013457
   0.76399050  0.42202756  0.15485329
   0.69197165  0.15587337  0.38160878
   0.45183801  0.14420117  0.47160626
   0.68741511  0.05527302  0.54809826
   0.84442200  0.24367784  0.82314277
   0.62711602  0.31410485  0.54968044
   0.85680616  0.49439870  0.87296115
   0.99508767  0.45793658  0.65793192
   0.74884215  0.42275746  0.69413700
   0.77799115  0.06398132  0.95381232
   0.51026533  0.10294261  0.94040477
   0.57196163  0.53230318  0.05528219
   0.88531403  0.69350623  0.25708898
   0.55683908  0.79833201  0.04861255
   0.86066888  0.96045234  0.32459354
   0.92613387  0.91250463  0.14637811
   0.67455251  0.85000056  0.22588072
   0.80563114  0.69266458  0.43540472
   0.57106686  0.60171743  0.39129127
   0.65889962  0.58905177  0.56586529
   0.83198657  0.73991279  0.80874431
   0.58764374  0.83701434  0.48099774
   0.94938533  0.97507846  0.84659260
   0.98087784  0.86429604  0.67306725
   0.73661562  0.96656431  0.72201041
   0.77004398  0.67782888  0.99336040
   0.52759822  0.67426271  0.88869828
   0.73473971  0.80035752  0.61277303
   0.47498919  0.87848647  0.47863889
   0.89445461  0.24159050  0.06418521
   1.01895559  0.24688199  0.35868150
   0.34183688  0.13807720  0.62239284
   0.31615231  0.78395087  0.74811388
   0.22133320  1.09113189  0.17195606
   0.24969643  1.12416217  0.04562874
   0.63208527  0.39700082  0.86730300
   0.81524180  0.37089409  0.58173167
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898359    0.100147   -0.189911
    -0.000000    9.978320    0.158042
    -0.000000    0.000000   13.763698
   Si   O    H 
    32    64    10
Direct configuration=  2859
   0.16793072  0.21344412 -0.02610572
   0.34607824  0.09330565  0.38620030
   0.15166791  0.44178710  0.11906226
   0.39998004  0.32398733  0.25138495
   0.06198012  0.11342152  0.48090870
   0.39295271  0.13381796  0.85242501
   0.09888353  0.36168525  0.61571830
   0.38183275  0.37459073  0.74186378
   0.14925479  0.70312080  0.00327410
   0.41943488  0.57713849  0.36374876
   0.08979712  0.91818260  0.14823159
   0.33476607  0.83744075  0.26418307
   0.15474594  0.59120250  0.47971527
   0.37007470  0.62963121  0.86062664
   0.08783820  0.85917129  0.58902683
   0.36349841  0.99426560  0.67685212
   0.64164755  0.11661724  1.00552939
   0.83089819  0.11183569  0.33146404
   0.62090132  0.39087971  0.10390649
   0.88379027  0.30613612  0.15985903
   0.61731940  0.17467032  0.48403544
   0.90354551  0.11427103  0.89426514
   0.63148705  0.44704718  0.61815279
   0.76391772  0.39438670  0.81931455
   0.59986456  0.66833583 -0.00552146
   0.90444007  0.60608930  0.35933031
   0.56427572  0.89162560  0.13450129
   0.83412756  0.84986281  0.23938897
   0.65492886  0.68395758  0.47293035
   0.87578187  0.64752486  0.90055309
   0.66320058  0.92940159  0.61704028
   0.88131327  0.88449575  0.76294911
   0.12645631  0.07814853  0.16374684
   0.37585499  0.16809474  0.28374999
   0.16429211  0.37336667  0.01194816
   0.40353901  0.42029098  0.34639564
   0.54140268  0.31158737  0.18621057
   0.29549590  0.41068863  0.17820677
   0.20311317  0.12952834  0.42278437
  -0.05415262  0.17321446  0.40876253
   0.04257472 -0.03553666  0.50082679
   0.46247611  0.23641606  0.77467275
   0.06490616  0.20143465  0.57553735
   0.36420557  0.47471496  0.83787688
   0.47942883  0.46416788  0.66251491
   0.23351657  0.34846233  0.69253509
   0.25726614  0.21429515 -0.11976951
   0.02569403  0.15245878  0.96432357
   0.12718807  0.60098979  0.09953170
   0.38700537  0.68938614  0.27485389
   0.14297964  0.85615125  0.04332350
   0.34547561  0.92774946  0.36918931
   0.42181370  0.91034027  0.18018853
   0.18302414  0.83212523  0.22976786
   0.31881292  0.62476386  0.45148959
   0.07445593  0.60474066  0.37660364
   0.16786533  0.43469556  0.51736694
   0.28004382  0.70536900  0.77671134
   0.09594616  0.70562676  0.54772465
   0.35379770  0.98458481  0.79968833
   0.49811094  0.92189832  0.63646868
   0.23626566  0.89654640  0.63450534
   0.29574132  0.65243450 -0.03245101
   0.02586445  0.68598673  0.92296248
   0.61851857  0.03942793  0.11010349
   0.83679254  0.19054406  0.23625311
   0.65489632  0.28348592  0.01652564
   0.83606032  0.47071482  0.36216490
   0.02974412  0.37237872  0.18951376
   0.76415958  0.42232019  0.15446220
   0.69186879  0.15646316  0.38205689
   0.45074704  0.14243968  0.47162011
   0.68921525  0.05479272  0.54770845
   0.84315741  0.24559238  0.82459771
   0.62525743  0.31418769  0.54844417
   0.85572292  0.49502385  0.87340587
   0.99480526  0.45642681  0.65944029
   0.74992993  0.42147052  0.69598906
   0.77973970  0.06390511  0.95519383
   0.50937944  0.10454438  0.94163041
   0.57301327  0.53287610  0.05577693
   0.88298560  0.69637985  0.25877790
   0.55694586  0.79668868  0.04886821
   0.85910283  0.95907984  0.32473349
   0.92471158  0.91112065  0.14687362
   0.67472284  0.85095174  0.22601318
   0.80478264  0.69311586  0.43683736
   0.57129690  0.60299188  0.39260495
   0.66047705  0.58896603  0.56604979
   0.83190949  0.74071717  0.80930902
   0.58764862  0.83686299  0.48128311
   0.94822787  0.97462963  0.84553025
   0.98014199  0.86336620  0.67254269
   0.73759579  0.96606395  0.72299251
   0.76956828  0.67903261  0.99171412
   0.52751439  0.67449389  0.88867350
   0.73679543  0.80572741  0.61099656
   0.46083259  0.88487025  0.47144804
   0.90033109  0.23729696  0.06695824
   1.03598926  0.22283230  0.35914697
   0.33942350  0.11940211  0.62251100
   0.32049103  0.78764350  0.75059984
   0.23046807  1.09573222  0.17262218
   0.24945232  1.13009111  0.04325251
   0.62689533  0.39995512  0.87091407
   0.82160742  0.36546847  0.58621713
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897896    0.104415   -0.189763
    -0.000000    9.979575    0.160694
    -0.000000    0.000000   13.766139
   Si   O    H 
    32    64    10
Direct configuration=  2860
   0.16949521  0.21480176 -0.02492680
   0.34695236  0.09295634  0.38628202
   0.15059593  0.44134548  0.11939800
   0.39933253  0.32529709  0.25146219
   0.06378515  0.11250736  0.48153407
   0.39238004  0.13257157  0.85173225
   0.09958503  0.36276491  0.61628538
   0.38209874  0.37552111  0.74222854
   0.15017039  0.70301247  0.00295784
   0.41829989  0.57665594  0.36267905
   0.08931839  0.91877375  0.14892616
   0.33378566  0.83909681  0.26434760
   0.15489421  0.59128268  0.47919520
   0.37060725  0.62991389  0.86154414
   0.08859877  0.85832364  0.58903513
   0.36408706  0.99373519  0.67696731
   0.64107415  0.11626403  1.00493485
   0.82875475  0.11123264  0.33183769
   0.62125315  0.39194143  0.10355430
   0.88361091  0.30511827  0.15949408
   0.61861639  0.17517978  0.48389186
   0.90298292  0.11315273  0.89415827
   0.63095857  0.44816857  0.61733028
   0.76456520  0.39536791  0.81858841
   0.60023925  0.66796443 -0.00627692
   0.90513428  0.60501793  0.35973120
   0.56521181  0.89234595  0.13436158
   0.83333624  0.84938583  0.23920082
   0.65536343  0.68302850  0.47303712
   0.87543476  0.64774882  0.90111122
   0.66273217  0.92765337  0.61668759
   0.88265024  0.88332228  0.76299267
   0.12444213  0.07628050  0.16383005
   0.37672538  0.16933766  0.28331229
   0.16390632  0.37215533  0.01255788
   0.40321929  0.42088241  0.34521940
   0.54069540  0.31322227  0.18676925
   0.29594221  0.40880746  0.17787051
   0.20061913  0.12882406  0.42423734
  -0.05236566  0.17504366  0.40718418
   0.04270808 -0.03531071  0.49985478
   0.46390826  0.23629201  0.77309371
   0.06327009  0.20087198  0.57670522
   0.36460621  0.47388699  0.83641949
   0.48092585  0.46323028  0.66325685
   0.23197213  0.34607716  0.69261632
   0.25739173  0.21514973 -0.12110362
   0.02650237  0.15424816  0.96338797
   0.12549803  0.60346333  0.09868687
   0.38664853  0.68986990  0.27457153
   0.14138165  0.85722923  0.04262133
   0.34738131  0.92927268  0.36793536
   0.42169001  0.90916382  0.18106119
   0.18246638  0.83289842  0.23026792
   0.31853936  0.62554284  0.45184996
   0.07625301  0.60569534  0.37628505
   0.16934856  0.43346110  0.51803739
   0.28078456  0.70384084  0.77438583
   0.09760697  0.70793305  0.54668591
   0.35305734  0.98492037  0.79834953
   0.49913273  0.92221982  0.63627463
   0.23515237  0.89537366  0.63502438
   0.29490797  0.65326178 -0.03278103
   0.02559811  0.68394817  0.92314980
   0.61819198  0.03783302  0.11091403
   0.83872071  0.19203618  0.23543616
   0.65690820  0.28445861  0.01656798
   0.83481588  0.47205831  0.36222476
   0.03056481  0.36950760  0.18884520
   0.76499368  0.42232546  0.15424380
   0.69135319  0.15705875  0.38214878
   0.44901049  0.14078747  0.47116250
   0.69082771  0.05443600  0.54768324
   0.84228518  0.24718724  0.82607099
   0.62272560  0.31315843  0.54677890
   0.85506217  0.49644657  0.87426606
   0.99388396  0.45414229  0.66033011
   0.75179898  0.41976253  0.69805730
   0.78078828  0.06417596  0.95666913
   0.50834282  0.10592654  0.94256361
   0.57450437  0.53353361  0.05631669
   0.88108444  0.69787606  0.26110880
   0.55662260  0.79445391  0.04865520
   0.85799450  0.95763112  0.32461117
   0.92381560  0.90910617  0.14761341
   0.67469084  0.85210352  0.22532312
   0.80545869  0.69342353  0.43841874
   0.57109533  0.60400898  0.39370383
   0.66162076  0.58804926  0.56691442
   0.83213594  0.74195007  0.81022567
   0.58718463  0.83731643  0.48174168
   0.94625870  0.97550470  0.84416502
   0.97939163  0.86233899  0.67206998
   0.73880585  0.96545101  0.72381634
   0.76859251  0.67955290  0.99076303
   0.52725853  0.67421559  0.88840326
   0.74061153  0.80582738  0.60911884
   0.46080475  0.88183195  0.46389041
   0.90487972  0.23406582  0.07209625
   1.05093555  0.20246316  0.36096660
   0.33619495  0.10333955  0.62424376
   0.32493501  0.78312815  0.75290498
   0.23211222  1.09608465  0.17325205
   0.25071453  1.13959442  0.04012097
   0.62278705  0.40140810  0.87264269
   0.82699544  0.36014204  0.58992960
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897202    0.108627   -0.189363
    -0.000000    9.980773    0.163038
    -0.000000    0.000000   13.768591
   Si   O    H 
    32    64    10
Direct configuration=  2861
   0.17137033  0.21627546 -0.02399265
   0.34765819  0.09292362  0.38654834
   0.14947343  0.44082981  0.12018844
   0.39898284  0.32712898  0.25122467
   0.06586433  0.11180170  0.48194163
   0.39256775  0.13153256  0.85054322
   0.10000475  0.36371129  0.61683465
   0.38231572  0.37659470  0.74261927
   0.15089380  0.70244789  0.00257042
   0.41752535  0.57686345  0.36262949
   0.08972981  0.91904008  0.14948867
   0.33291333  0.84151840  0.26451344
   0.15501449  0.59121072  0.47822063
   0.37076152  0.63001938  0.86246194
   0.08951616  0.85757416  0.58878326
   0.36441116  0.99235500  0.67711513
   0.64083869  0.11656032  1.00502126
   0.82639636  0.11216875  0.33235269
   0.62201512  0.39282147  0.10318675
   0.88307902  0.30437643  0.15939266
   0.61918018  0.17527963  0.48400475
   0.90250075  0.11315645  0.89426486
   0.63041947  0.44940923  0.61655757
   0.76459971  0.39627411  0.81747139
   0.60071083  0.66729802 -0.00703062
   0.90601083  0.60446531  0.36089695
   0.56636895  0.89321175  0.13418531
   0.83264236  0.84853666  0.23862914
   0.65548510  0.68213010  0.47265173
   0.87500458  0.64845604  0.90195993
   0.66277584  0.92685505  0.61656105
   0.88353421  0.88222855  0.76265181
   0.12346938  0.07422227  0.16472532
   0.37758403  0.17063855  0.28305578
   0.16314920  0.37179022  0.01373064
   0.40348766  0.42082403  0.34421987
   0.53979491  0.31536306  0.18772938
   0.29588437  0.40663391  0.17784860
   0.19834926  0.12787983  0.42521259
  -0.04949198  0.17607932  0.40600559
   0.04182652 -0.03699784  0.49881027
   0.46538784  0.23569425  0.77159324
   0.06163167  0.20036107  0.57762333
   0.36426960  0.47293840  0.83528628
   0.48224805  0.46222472  0.66394182
   0.23184730  0.34482459  0.69286075
   0.25802579  0.21506433 -0.12266014
   0.02660514  0.15570671  0.96261201
   0.12450331  0.60530897  0.09845719
   0.38643310  0.68990185  0.27489504
   0.14079838  0.85820236  0.04187305
   0.34886503  0.93176483  0.36619635
   0.42155433  0.90763761  0.18205817
   0.18119634  0.83396577  0.23052459
   0.31784944  0.62684469  0.45180767
   0.07759517  0.60735627  0.37586157
   0.17062844  0.43272367  0.51849429
   0.28176594  0.70220816  0.77248721
   0.09854433  0.71026033  0.54565237
   0.35271496  0.98642547  0.79745019
   0.49936944  0.92313559  0.63638234
   0.23452368  0.89581146  0.63616100
   0.29463814  0.65490129 -0.03275421
   0.02540588  0.68271716  0.92329671
   0.61887987  0.03703044  0.11068768
   0.84079390  0.19293788  0.23443552
   0.65840514  0.28451274  0.01629553
   0.83473503  0.47255873  0.36224174
   0.03240657  0.36667447  0.18776943
   0.76566884  0.42200510  0.15460211
   0.69080125  0.15778463  0.38222577
   0.44808269  0.13963937  0.47045363
   0.69171948  0.05501697  0.54789879
   0.84187622  0.24834943  0.82770760
   0.62086989  0.31238086  0.54466022
   0.85481624  0.49756913  0.87538064
   0.99214372  0.45206831  0.66052021
   0.75317709  0.41854375  0.70011543
   0.78150244  0.06453562  0.95789585
   0.50625120  0.10764337  0.94257693
   0.57531105  0.53342046  0.05698934
   0.87997752  0.69944625  0.26301241
   0.55624240  0.79327699  0.04835982
   0.85759934  0.95675922  0.32458216
   0.92342511  0.90620240  0.14862321
   0.67403738  0.85286801  0.22478907
   0.80713630  0.69390782  0.43967674
   0.57056328  0.60419012  0.39434862
   0.66235772  0.58805344  0.56750372
   0.83310887  0.74322838  0.81115137
   0.58597358  0.83894194  0.48175790
   0.94485388  0.97660301  0.84342113
   0.97946279  0.86101225  0.67167266
   0.74030909  0.96402209  0.72466141
   0.76806571  0.67972139  0.98966675
   0.52705868  0.67417462  0.88783003
   0.75105045  0.80336091  0.60692025
   0.47286842  0.87329682  0.45786588
   0.90575805  0.23443487  0.07418456
   1.05822873  0.18984774  0.36480714
   0.33231272  0.10256619  0.62239184
   0.33071046  0.78263869  0.75336483
   0.22313945  1.09606667  0.17253095
   0.25013405  1.14342188  0.04051871
   0.62570112  0.40010185  0.87099884
   0.83584556  0.35993308  0.59310537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896553    0.111945   -0.188955
    -0.000000    9.981537    0.165266
    -0.000000    0.000000   13.771075
   Si   O    H 
    32    64    10
Direct configuration=  2862
   0.17318974  0.21763734 -0.02292595
   0.34796093  0.09316637  0.38696186
   0.14819035  0.44052843  0.12089040
   0.39933510  0.32943227  0.25095042
   0.06709227  0.11221901  0.48279809
   0.39291661  0.13055766  0.85006187
   0.10125582  0.36458566  0.61715868
   0.38241091  0.37809281  0.74258865
   0.15175201  0.70189043  0.00209301
   0.41634324  0.57721563  0.36226362
   0.09043175  0.91942860  0.14968999
   0.33181798  0.84334791  0.26480467
   0.15586566  0.59078880  0.47759875
   0.37060881  0.63023885  0.86310583
   0.09062528  0.85707468  0.58867787
   0.36446391  0.99005809  0.67684403
   0.64119751  0.11634834  1.00512057
   0.82487093  0.11361218  0.33311041
   0.62260064  0.39337162  0.10266238
   0.88236110  0.30418271  0.15921088
   0.61964856  0.17491792  0.48410927
   0.90232078  0.11388800  0.89406420
   0.62970201  0.45015401  0.61583081
   0.76444988  0.39613348  0.81670374
   0.60150714  0.66619925 -0.00777153
   0.90675760  0.60409620  0.36219447
   0.56795766  0.89385259  0.13408404
   0.83229921  0.84823457  0.23814363
   0.65550984  0.68173089  0.47230927
   0.87455129  0.64918174  0.90291905
   0.66256749  0.92701684  0.61618644
   0.88458439  0.88108532  0.76219962
   0.12315899  0.07325574  0.16596272
   0.37881193  0.17209498  0.28299525
   0.16260822  0.37179348  0.01466464
   0.40415778  0.42071509  0.34300628
   0.53909521  0.31776148  0.18881611
   0.29468106  0.40459984  0.17657677
   0.19691389  0.12786101  0.42515700
  -0.04761842  0.17722584  0.40509949
   0.04056932 -0.03980601  0.49821180
   0.46582762  0.23556473  0.77015290
   0.06055325  0.19993430  0.57783686
   0.36399443  0.47182219  0.83443265
   0.48387197  0.46142247  0.66508459
   0.23238910  0.34378541  0.69391864
   0.25846133  0.21464523 -0.12392967
   0.02677683  0.15728616  0.96200619
   0.12363903  0.60628799  0.09871897
   0.38652827  0.68885573  0.27551429
   0.13944011  0.85886349  0.04132700
   0.35061766  0.93388223  0.36456795
   0.42162894  0.90632279  0.18296437
   0.17875878  0.83531155  0.23082363
   0.31699967  0.62747370  0.45114965
   0.07789258  0.60925938  0.37560898
   0.17137860  0.43165762  0.51843027
   0.28291452  0.70086177  0.77138257
   0.09983260  0.71266152  0.54480122
   0.35320820  0.98835673  0.79636319
   0.50011720  0.92312378  0.63685229
   0.23375473  0.89622648  0.63701258
   0.29432480  0.65647060 -0.03315949
   0.02589276  0.68245065  0.92367860
   0.62012292  0.03696217  0.10989095
   0.84281864  0.19378832  0.23413575
   0.65931164  0.28501968  0.01597444
   0.83423362  0.47251201  0.36237682
   0.03432378  0.36367366  0.18675835
   0.76587809  0.42116975  0.15548919
   0.68990348  0.15869642  0.38204423
   0.44760389  0.13938229  0.46996318
   0.69238382  0.05540317  0.54753927
   0.84192541  0.24927765  0.82958956
   0.61985562  0.31242934  0.54261270
   0.85479759  0.49803100  0.87620899
   0.99075512  0.45090718  0.66040938
   0.75371192  0.41685452  0.70234502
   0.78185621  0.06482637  0.95954532
   0.50332052  0.10897131  0.94221266
   0.57466958  0.53287481  0.05776892
   0.87894661  0.70122457  0.26450808
   0.55482017  0.79292526  0.04829732
   0.85667636  0.95607621  0.32440515
   0.92340608  0.90380996  0.14916369
   0.67298113  0.85273408  0.22445730
   0.80896082  0.69391233  0.44105534
   0.57003494  0.60495762  0.39473229
   0.66287565  0.58869191  0.56843096
   0.83412215  0.74470815  0.81209657
   0.58403891  0.84062133  0.48144605
   0.94402875  0.97729937  0.84239513
   0.97909795  0.86037333  0.67146652
   0.74232388  0.96236937  0.72641049
   0.76766464  0.67925132  0.98862055
   0.52658116  0.67369493  0.88684300
   0.76077125  0.80581860  0.60284088
   0.49934758  0.86184718  0.45457162
   0.90886616  0.23343911  0.07232640
   1.06090139  0.17843025  0.36812102
   0.32927526  0.11476991  0.61691738
   0.33005944  0.77981764  0.75251951
   0.20911445  1.09204756  0.17068044
   0.25408409  1.14046504  0.04579602
   0.63457086  0.40045874  0.86657160
   0.84656560  0.36237706  0.59614653
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896133    0.114140   -0.188109
    -0.000000    9.982135    0.167734
    -0.000000    0.000000   13.773732
   Si   O    H 
    32    64    10
Direct configuration=  2863
   0.17561690  0.21932389 -0.02187479
   0.34829017  0.09362997  0.38687879
   0.14669821  0.44031474  0.12141103
   0.40035656  0.33101383  0.25049585
   0.06759824  0.11301177  0.48397096
   0.39322028  0.12942933  0.84950251
   0.10284405  0.36525337  0.61761862
   0.38224503  0.37898459  0.74219303
   0.15182108  0.70175338  0.00151439
   0.41479717  0.57756137  0.36196936
   0.09087166  0.91966187  0.14947865
   0.33114801  0.84468544  0.26508167
   0.15641983  0.59014481  0.47742182
   0.37023116  0.63004829  0.86362792
   0.09214693  0.85641747  0.58845465
   0.36416602  0.98795315  0.67617585
   0.64229246  0.11602112  1.00535248
   0.82351242  0.11518314  0.33404329
   0.62343904  0.39355012  0.10236704
   0.88176769  0.30406811  0.15917732
   0.61944349  0.17457952  0.48455089
   0.90233056  0.11495976  0.89390623
   0.62981375  0.45047943  0.61531129
   0.76416241  0.39625713  0.81638043
   0.60239756  0.66476627 -0.00853785
   0.90819822  0.60438687  0.36311791
   0.56953236  0.89415102  0.13408012
   0.83193245  0.84740301  0.23770176
   0.65581964  0.68149914  0.47227517
   0.87446257  0.65033382  0.90321349
   0.66222564  0.92769856  0.61567690
   0.88479636  0.87986191  0.76157771
   0.12058713  0.07186178  0.16643484
   0.37985065  0.17323488  0.28278979
   0.16247184  0.37224728  0.01478376
   0.40509291  0.42100277  0.34254386
   0.53885061  0.31999880  0.18953590
   0.29328304  0.40299145  0.17519929
   0.19580810  0.12789795  0.42432779
  -0.04519007  0.17790191  0.40425067
   0.03978191 -0.04284310  0.49753573
   0.46674583  0.23533418  0.76862344
   0.06050546  0.20005119  0.57917950
   0.36354212  0.47098592  0.83371420
   0.48525372  0.46044440  0.66622918
   0.23295598  0.34312654  0.69480120
   0.25849955  0.21419711 -0.12485364
   0.02666120  0.15966828  0.96104955
   0.12263097  0.60717512  0.09872281
   0.38617429  0.68733743  0.27558600
   0.13848268  0.86005737  0.04052511
   0.35147414  0.93597398  0.36293900
   0.42082478  0.90579106  0.18384033
   0.17618959  0.83626360  0.23114601
   0.31623297  0.62778673  0.45035664
   0.07794108  0.61079136  0.37513130
   0.17212973  0.43158660  0.51807260
   0.28475792  0.69957632  0.77021052
   0.10115308  0.71415527  0.54414833
   0.35375513  0.99027968  0.79541991
   0.50098776  0.92265618  0.63745646
   0.23352309  0.89705512  0.63739151
   0.29430577  0.65808637 -0.03407762
   0.02672819  0.68260115  0.92490690
   0.62135371  0.03731206  0.10855316
   0.84491847  0.19447239  0.23415369
   0.65979504  0.28468288  0.01501684
   0.83337696  0.47185423  0.36227841
   0.03685863  0.36141754  0.18560472
   0.76737160  0.42003137  0.15612609
   0.68950203  0.15943904  0.38184043
   0.44758693  0.13918994  0.46949138
   0.69273710  0.05591414  0.54677084
   0.84249936  0.24969360  0.83146035
   0.61846336  0.31373621  0.53996110
   0.85498460  0.49836844  0.87659066
   0.98838754  0.44994127  0.66030368
   0.75289879  0.41555406  0.70385894
   0.78102156  0.06434141  0.96202784
   0.50003356  0.11020559  0.94102579
   0.57307940  0.53239743  0.05862582
   0.87895626  0.70276196  0.26639221
   0.55316202  0.79314139  0.04863800
   0.85538981  0.95511426  0.32499951
   0.92384577  0.90118792  0.14871803
   0.67195520  0.85277062  0.22356232
   0.81000096  0.69372356  0.44270075
   0.56918367  0.60490729  0.39536687
   0.66377699  0.58883830  0.56911166
   0.83537905  0.74610360  0.81276967
   0.58315360  0.84183611  0.48126734
   0.94384281  0.97885964  0.84170368
   0.97933484  0.85959602  0.67147871
   0.74301483  0.96107498  0.72721453
   0.76794359  0.67872827  0.98691983
   0.52699528  0.67286229  0.88566702
   0.76419770  0.81263264  0.59825335
   0.51509590  0.85055644  0.45027431
   0.90780337  0.23264618  0.07146886
   1.05986225  0.17182309  0.36759387
   0.32536580  0.12793919  0.61305074
   0.32932135  0.78451716  0.75024607
   0.22141485  1.09722849  0.17025313
   0.25890413  1.13168260  0.05210021
   0.64150360  0.39983368  0.85909877
   0.85960053  0.37277467  0.60226465
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895659    0.115863   -0.188109
    -0.000000    9.982143    0.170238
    -0.000000    0.000000   13.776340
   Si   O    H 
    32    64    10
Direct configuration=  2864
   0.17780939  0.22038056 -0.02048273
   0.34864339  0.09394067  0.38628754
   0.14517628  0.44035455  0.12199249
   0.40175373  0.33232979  0.24965885
   0.06724373  0.11311028  0.48572264
   0.39360590  0.12891570  0.84861547
   0.10476391  0.36578237  0.61785028
   0.38247198  0.37959361  0.74130815
   0.15094511  0.70240093  0.00105825
   0.41337510  0.57825562  0.36114548
   0.09088960  0.91964527  0.14920770
   0.33065153  0.84604485  0.26544817
   0.15623899  0.58898960  0.47752804
   0.36974276  0.62974782  0.86423896
   0.09354463  0.85544359  0.58840843
   0.36367626  0.98663862  0.67549986
   0.64311197  0.11586165  1.00538862
   0.82248887  0.11649724  0.33487960
   0.62427920  0.39387026  0.10225134
   0.88151057  0.30371548  0.15872096
   0.61845869  0.17442226  0.48460636
   0.90164513  0.11604762  0.89389872
   0.62919917  0.45037903  0.61487817
   0.76459676  0.39558490  0.81597760
   0.60317243  0.66268127 -0.00867940
   0.90862777  0.60488873  0.36395373
   0.57076510  0.89382820  0.13419418
   0.83108648  0.84668437  0.23719197
   0.65624485  0.68106128  0.47211349
   0.87393540  0.65179049  0.90323586
   0.66167909  0.92772472  0.61558591
   0.88415444  0.87953200  0.76069611
   0.11986830  0.07026394  0.16733450
   0.38035636  0.17353297  0.28277580
   0.16196610  0.37173831  0.01419839
   0.40565610  0.42144756  0.34219040
   0.53839873  0.32274310  0.18956261
   0.29215644  0.40232303  0.17463012
   0.19520610  0.12767584  0.42304216
  -0.04271987  0.17858410  0.40281444
   0.03894493 -0.04535550  0.49700759
   0.46718148  0.23509961  0.76697350
   0.06013458  0.20054883  0.58084220
   0.36374943  0.46966998  0.83346251
   0.48628397  0.45905838  0.66788526
   0.23312106  0.34247728  0.69535204
   0.25822201  0.21349596 -0.12542267
   0.02629377  0.16199289  0.96032921
   0.12190365  0.60619381  0.09924091
   0.38560136  0.68495989  0.27540900
   0.13765298  0.86104293  0.04032057
   0.35302385  0.93766983  0.36154002
   0.41985385  0.90448232  0.18410918
   0.17333503  0.83694954  0.23145947
   0.31551346  0.62731262  0.44998615
   0.07772381  0.61199813  0.37476442
   0.17235980  0.43188623  0.51767072
   0.28729144  0.69852300  0.76993607
   0.10275444  0.71448732  0.54329932
   0.35392748  0.99231965  0.79432753
   0.50205951  0.92160306  0.63834771
   0.23400512  0.89721078  0.63778933
   0.29483616  0.65918006 -0.03559508
   0.02764025  0.68290447  0.92538109
   0.62261246  0.03768152  0.10686405
   0.84646616  0.19461892  0.23438936
   0.65963795  0.28341780  0.01406650
   0.83257503  0.47010034  0.36229974
   0.03895497  0.35993569  0.18425545
   0.76896123  0.41924606  0.15657712
   0.68935009  0.16048475  0.38105886
   0.44937052  0.13928319  0.46864403
   0.69309989  0.05644465  0.54668011
   0.84273277  0.25084984  0.83326036
   0.61776560  0.31587207  0.53783908
   0.85559685  0.49854534  0.87725638
   0.98550010  0.44909426  0.66062992
   0.75188700  0.41457147  0.70420625
   0.78002617  0.06378851  0.96499373
   0.49631751  0.11083175  0.93994502
   0.57113936  0.53225882  0.05897855
   0.87866314  0.70449975  0.26847428
   0.55146446  0.79378703  0.04820220
   0.85427590  0.95485171  0.32582033
   0.92537433  0.89863649  0.14874642
   0.67059548  0.85272220  0.22261930
   0.81048358  0.69386940  0.44414093
   0.56825853  0.60400970  0.39591373
   0.66432312  0.58907243  0.56932279
   0.83627794  0.74747857  0.81297758
   0.58576295  0.84204999  0.48289968
   0.94313805  0.97996749  0.84139153
   0.98016400  0.85872371  0.67171718
   0.74384444  0.96000983  0.72761275
   0.76812042  0.67924897  0.98520590
   0.52745336  0.67263042  0.88494824
   0.76125063  0.82125919  0.59357786
   0.46902927  0.84825245  0.42119286
   0.90625490  0.23232948  0.06999245
   1.04786740  0.16968095  0.36652497
   0.32379826  0.13367875  0.61361812
   0.32225200  0.78339505  0.74619191
   0.22377904  1.09965229  0.16830765
   0.26303925  1.12677562  0.05532122
   0.63743676  0.40315642  0.85462717
   0.88249423  0.38625702  0.61470550
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895428    0.117716   -0.187812
    -0.000000    9.982171    0.172334
    -0.000000    0.000000   13.778881
   Si   O    H 
    32    64    10
Direct configuration=  2865
   0.18005769  0.22122921 -0.01880975
   0.34842133  0.09404598  0.38520278
   0.14442771  0.44036030  0.12243537
   0.40340609  0.33289534  0.24908917
   0.06686841  0.11285830  0.48742710
   0.39380399  0.12885197  0.84778346
   0.10716057  0.36595475  0.61765651
   0.38262632  0.38054742  0.74040484
   0.14964979  0.70254244  0.00122222
   0.41192872  0.57885867  0.36072605
   0.09044792  0.91925462  0.14860726
   0.33020689  0.84685868  0.26567398
   0.15580360  0.58807359  0.47746309
   0.36879465  0.62935137  0.86455596
   0.09512390  0.85426284  0.58850694
   0.36250518  0.98570897  0.67475096
   0.64339236  0.11601849  1.00482284
   0.82196696  0.11785232  0.33578311
   0.62556730  0.39386149  0.10233117
   0.88222807  0.30309770  0.15803720
   0.61765743  0.17448326  0.48431703
   0.90036778  0.11684327  0.89406624
   0.62872882  0.45013947  0.61453484
   0.76554218  0.39483851  0.81573571
   0.60488271  0.66112449 -0.00864960
   0.90923190  0.60520744  0.36477224
   0.57181496  0.89350388  0.13479346
   0.83010428  0.84524527  0.23681964
   0.65605925  0.68078738  0.47202382
   0.87327579  0.65259016  0.90303975
   0.66061446  0.92822448  0.61577615
   0.88283905  0.87908913  0.75999094
   0.12043760  0.06965498  0.16804994
   0.38019753  0.17425823  0.28301285
   0.16148497  0.37211969  0.01351754
   0.40559315  0.42182100  0.34246065
   0.53744984  0.32561193  0.18989058
   0.29054015  0.40212580  0.17451175
   0.19502275  0.12681881  0.42111509
  -0.04079184  0.17909273  0.40151331
   0.03839537 -0.04808794  0.49711362
   0.46720076  0.23492831  0.76588280
   0.05945230  0.20158194  0.58283150
   0.36394356  0.46946093  0.83369999
   0.48579540  0.45736081  0.67001896
   0.23328994  0.34210263  0.69551645
   0.25735521  0.21208472 -0.12578523
   0.02607394  0.16339250  0.95948836
   0.12134482  0.60582170  0.09944601
   0.38507420  0.68237979  0.27571927
   0.13732537  0.86107524  0.04035019
   0.35400556  0.93857103  0.36072193
   0.41982770  0.90390085  0.18400908
   0.17069648  0.83765467  0.23231543
   0.31463914  0.62677783  0.44926783
   0.07738854  0.61213267  0.37468813
   0.17227611  0.43260545  0.51694769
   0.29056941  0.69737857  0.76967568
   0.10439496  0.71413686  0.54178715
   0.35317148  0.99389812  0.79314476
   0.50184658  0.92143114  0.63908207
   0.23521389  0.89732297  0.63768647
   0.29529738  0.66008162 -0.03690670
   0.02902344  0.68318028  0.92624102
   0.62450125  0.03856711  0.10527146
   0.84812094  0.19433301  0.23523144
   0.65944070  0.28223943  0.01371873
   0.83143126  0.46804241  0.36218854
   0.04054740  0.35900984  0.18302416
   0.77020314  0.41922669  0.15642826
   0.68908254  0.16123539  0.38043840
   0.45146173  0.13990423  0.46831410
   0.69414334  0.05629844  0.54674084
   0.84292737  0.25263965  0.83514078
   0.61674257  0.31825429  0.53620705
   0.85643095  0.49812548  0.87797438
   0.98114325  0.44717640  0.66005008
   0.75050743  0.41342767  0.70324251
   0.78024472  0.06392569  0.96743646
   0.49259432  0.11152337  0.93955576
   0.56927508  0.53215224  0.05885631
   0.87894759  0.70504687  0.27033098
   0.55037773  0.79435686  0.04724498
   0.85260593  0.95448506  0.32701155
   0.92669524  0.89725507  0.14823848
   0.67010128  0.85183942  0.22115053
   0.81202950  0.69410723  0.44531083
   0.56732612  0.60287514  0.39613811
   0.66520007  0.58952272  0.56982114
   0.83672511  0.74847355  0.81251294
   0.58682080  0.84130012  0.48432657
   0.94272925  0.98198603  0.84084744
   0.98073641  0.85779797  0.67208915
   0.74427613  0.95929171  0.72793210
   0.76773303  0.68054208  0.98339842
   0.52752559  0.67170018  0.88438388
   0.75458083  0.82527568  0.59201870
   0.43739894  0.84911624  0.39939630
   0.90020104  0.23256167  0.07008263
   1.03586206  0.17325960  0.35816840
   0.32717158  0.13249124  0.61754648
   0.31486377  0.78651191  0.74238494
   0.21521678  1.09857091  0.16693371
   0.26552036  1.12806207  0.05291504
   0.62487661  0.41094680  0.85321973
   0.91038181  0.40825056  0.63264426
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895148    0.119681   -0.187265
    -0.000000    9.982013    0.174618
    -0.000000    0.000000   13.781573
   Si   O    H 
    32    64    10
Direct configuration=  2866
   0.18189964  0.22192945 -0.01751342
   0.34868991  0.09487448  0.38452561
   0.14403139  0.44074561  0.12261353
   0.40520147  0.33301554  0.24862489
   0.06622618  0.11284764  0.48932168
   0.39498008  0.12875736  0.84684637
   0.10898000  0.36567816  0.61705116
   0.38330405  0.38122533  0.73980487
   0.14802331  0.70270319  0.00186992
   0.41082330  0.57943431  0.36106881
   0.09032455  0.91827882  0.14759174
   0.32917786  0.84678220  0.26542819
   0.15590873  0.58684372  0.47768925
   0.36769080  0.62878598  0.86465035
   0.09614750  0.85353003  0.58876049
   0.36195450  0.98497694  0.67380260
   0.64319336  0.11618704  1.00395873
   0.82134352  0.11904199  0.33599079
   0.62715841  0.39356666  0.10267329
   0.88337180  0.30215343  0.15750468
   0.61674928  0.17445685  0.48411716
   0.89908777  0.11729034  0.89400820
   0.62878814  0.44946915  0.61431232
   0.76582754  0.39415569  0.81561327
   0.60672037  0.66006686 -0.00850230
   0.90900939  0.60609514  0.36527089
   0.57243179  0.89356565  0.13493937
   0.82941814  0.84435059  0.23615142
   0.65581653  0.68120925  0.47202324
   0.87224241  0.65325749  0.90263086
   0.66005490  0.92900294  0.61559521
   0.88201738  0.87856672  0.75919309
   0.12060368  0.06974567  0.16857335
   0.38023633  0.17544789  0.28313242
   0.16172099  0.37271285  0.01306459
   0.40563626  0.42138205  0.34273246
   0.53615517  0.32845643  0.18934459
   0.28950433  0.40292186  0.17501357
   0.19521203  0.12634090  0.41960536
  -0.03903995  0.17953056  0.40114797
   0.03851330 -0.05033683  0.49819345
   0.46763271  0.23458547  0.76533501
   0.05926069  0.20284122  0.58473582
   0.36363388  0.46988456  0.83474999
   0.48596211  0.45640055  0.67219994
   0.23363949  0.34239504  0.69559016
   0.25643448  0.21170296 -0.12573478
   0.02592381  0.16542859  0.95873824
   0.12043928  0.60545721  0.09957779
   0.38486319  0.68163019  0.27575466
   0.13725224  0.86107229  0.03978565
   0.35493440  0.93950228  0.35979979
   0.42002684  0.90391371  0.18366211
   0.16896238  0.83811216  0.23357341
   0.31320958  0.62620261  0.44836545
   0.07647753  0.61249985  0.37490537
   0.17191736  0.43320403  0.51600028
   0.29348675  0.69675574  0.76918467
   0.10713765  0.71294925  0.54067207
   0.35256932  0.99431580  0.79178594
   0.50131904  0.92088325  0.63931626
   0.23578560  0.89753907  0.63807142
   0.29672158  0.66138320 -0.03812736
   0.03045426  0.68393177  0.92709708
   0.62580447  0.03885769  0.10428040
   0.84966512  0.19413403  0.23629750
   0.65814993  0.28188435  0.01390283
   0.83137961  0.46548138  0.36218062
   0.04085730  0.35863293  0.18221249
   0.77167179  0.42033201  0.15651446
   0.68868842  0.16186912  0.37929892
   0.45446722  0.13933493  0.46773519
   0.69386944  0.05684969  0.54733223
   0.84214169  0.25298580  0.83711767
   0.61565644  0.32065479  0.53461199
   0.85654577  0.49799036  0.87882383
   0.97874232  0.44569521  0.65995246
   0.74763610  0.41204626  0.70153903
   0.78132660  0.06399952  0.96889356
   0.48925291  0.11201259  0.93935068
   0.56645297  0.53232429  0.05849579
   0.87975887  0.70504153  0.27262788
   0.55026063  0.79484348  0.04628043
   0.85183478  0.95450753  0.32770491
   0.92683651  0.89576361  0.14775245
   0.66993450  0.85220348  0.21990590
   0.81436430  0.69442817  0.44627079
   0.56677640  0.60192974  0.39586685
   0.66601698  0.58971679  0.57032923
   0.83722393  0.74910683  0.81197992
   0.58820390  0.83941763  0.48521461
   0.94226602  0.98445196  0.84044879
   0.98155918  0.85640962  0.67212460
   0.74389616  0.95924766  0.72752920
   0.76714637  0.68193743  0.98221934
   0.52750723  0.67076978  0.88394112
   0.75048540  0.82180743  0.58781813
   0.41425153  0.85310197  0.38670084
   0.89262756  0.23795165  0.06883676
   1.02622082  0.17793625  0.34599913
   0.33143257  0.11998614  0.62184681
   0.30637038  0.78222946  0.74315654
   0.20497946  1.09609831  0.16612004
   0.26550296  1.13428834  0.04668836
   0.61436287  0.42011283  0.85193425
   0.91018194  0.41806164  0.64239929
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894757    0.122132   -0.186730
    -0.000000    9.982112    0.176601
    -0.000000    0.000000   13.784105
   Si   O    H 
    32    64    10
Direct configuration=  2867
   0.18300917  0.22260556 -0.01661557
   0.34916911  0.09564458  0.38384918
   0.14401557  0.44101297  0.12300672
   0.40659822  0.33313013  0.24841889
   0.06570316  0.11307634  0.49098362
   0.39636279  0.12908177  0.84647207
   0.11057107  0.36469432  0.61671788
   0.38351764  0.38190670  0.73950018
   0.14646601  0.70313222  0.00263012
   0.40966775  0.58021516  0.36152599
   0.08999339  0.91643290  0.14677240
   0.32863237  0.84532514  0.26494353
   0.15559575  0.58511250  0.47789881
   0.36647568  0.62831228  0.86438120
   0.09679982  0.85355292  0.58920649
   0.36123214  0.98424738  0.67282677
   0.64226274  0.11724234  1.00326742
   0.82165796  0.11977288  0.33530653
   0.62887254  0.39301673  0.10278745
   0.88460270  0.30141813  0.15704086
   0.61599073  0.17465690  0.48332961
   0.89826203  0.11721060  0.89405901
   0.62898224  0.44933965  0.61393251
   0.76555687  0.39308765  0.81557324
   0.60814137  0.65973216 -0.00806247
   0.90777344  0.60706345  0.36613682
   0.57248433  0.89325779  0.13435378
   0.82972776  0.84399845  0.23580464
   0.65504984  0.68183582  0.47234247
   0.87128760  0.65403708  0.90219569
   0.66008260  0.92968508  0.61574002
   0.88108941  0.87911640  0.75903884
   0.11950197  0.06988235  0.16901702
   0.38022807  0.17598115  0.28344847
   0.16187744  0.37350678  0.01333474
   0.40538280  0.42132635  0.34325710
   0.53563098  0.33153326  0.18894988
   0.28901059  0.40365736  0.17552139
   0.19606138  0.12641650  0.41872762
  -0.03857644  0.17914225  0.40047387
   0.03840291 -0.05182991  0.49921060
   0.46785617  0.23407996  0.76478973
   0.05958098  0.20397437  0.58659568
   0.36325568  0.47084912  0.83514991
   0.48683357  0.45557888  0.67415768
   0.23419653  0.34254328  0.69584469
   0.25570678  0.21125212 -0.12528537
   0.02596213  0.16711751  0.95838552
   0.11987658  0.60461375  0.09992115
   0.38453910  0.68311288  0.27555411
   0.13762651  0.86123870  0.03939198
   0.35661089  0.93980228  0.35940032
   0.42078833  0.90401594  0.18396904
   0.16749767  0.83864446  0.23544017
   0.31145549  0.62524127  0.44822549
   0.07569561  0.61220097  0.37498436
   0.17124546  0.43347699  0.51515067
   0.29568655  0.69453196  0.76880278
   0.10936915  0.71069451  0.54021983
   0.35264988  0.99507146  0.78961455
   0.50122900  0.91937956  0.64017167
   0.23610937  0.89774859  0.63842382
   0.29794441  0.66253795 -0.03857475
   0.03153996  0.68425916  0.92742191
   0.62627527  0.03896220  0.10319220
   0.85111738  0.19440587  0.23753210
   0.65650124  0.28243123  0.01430097
   0.83227896  0.46265488  0.36158681
   0.03989745  0.35734613  0.18169515
   0.77360155  0.42156266  0.15631403
   0.68801159  0.16326784  0.37899881
   0.45726848  0.13878234  0.46790414
   0.69296371  0.05779705  0.54789344
   0.84175319  0.25357961  0.83888298
   0.61459621  0.32259112  0.53323172
   0.85604605  0.49747565  0.87907298
   0.98013886  0.44527520  0.66013491
   0.74480019  0.41145401  0.70004542
   0.78216432  0.06401168  0.96999328
   0.48666679  0.11228047  0.93976690
   0.56409812  0.53187541  0.05789755
   0.88073450  0.70436730  0.27420541
   0.54952011  0.79560707  0.04499658
   0.85131370  0.95515126  0.32831923
   0.92669688  0.89386999  0.14693320
   0.67115553  0.85206273  0.21900524
   0.81714518  0.69438984  0.44743969
   0.56590684  0.60189279  0.39541453
   0.66619316  0.58923591  0.57076752
   0.83732410  0.74936502  0.81177641
   0.58958419  0.83669517  0.48533411
   0.94158020  0.98574316  0.84001284
   0.98261552  0.85423864  0.67238573
   0.74320083  0.95974656  0.72656116
   0.76614636  0.68253972  0.98139532
   0.52742657  0.66966923  0.88352360
   0.74720612  0.81839590  0.58429497
   0.39824264  0.85892081  0.38232334
   0.88601890  0.24133821  0.06439503
   1.01780695  0.19041196  0.33630979
   0.33829281  0.10149755  0.62792681
   0.30097312  0.78360486  0.74353436
   0.21927805  1.10458881  0.16409729
   0.26998925  1.13830479  0.04028459
   0.61147569  0.42814994  0.85018075
   0.84521650  0.40339966  0.63502046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894566    0.124246   -0.185896
    -0.000000    9.982153    0.178547
    -0.000000    0.000000   13.786384
   Si   O    H 
    32    64    10
Direct configuration=  2868
   0.18301005  0.22267421 -0.01659515
   0.34995102  0.09668352  0.38356757
   0.14472546  0.44091800  0.12345479
   0.40740811  0.33350968  0.24818536
   0.06501056  0.11329889  0.49285142
   0.39738266  0.13001352  0.84586618
   0.11111910  0.36328249  0.61611273
   0.38362127  0.38227903  0.73973099
   0.14572496  0.70392911  0.00373397
   0.40887851  0.58102851  0.36189409
   0.09011554  0.91409939  0.14567843
   0.32815223  0.84330374  0.26410318
   0.15516728  0.58416721  0.47810520
   0.36519891  0.62796114  0.86315117
   0.09741577  0.85331287  0.58958422
   0.36019803  0.98349600  0.67184910
   0.64085000  0.11847438  1.00305468
   0.82198985  0.12021831  0.33475134
   0.63118884  0.39216688  0.10289526
   0.88581654  0.30083872  0.15673011
   0.61499742  0.17423583  0.48250525
   0.89751068  0.11730480  0.89418675
   0.62875357  0.44816910  0.61354949
   0.76502264  0.39217018  0.81578383
   0.60890621  0.65985315 -0.00836217
   0.90716991  0.60787361  0.36720097
   0.57232516  0.89322736  0.13367276
   0.83092573  0.84369759  0.23577932
   0.65480223  0.68273707  0.47256129
   0.87077260  0.65509835  0.90179312
   0.66033904  0.93067805  0.61622732
   0.87964414  0.88032169  0.75944023
   0.12018636  0.07192367  0.16922308
   0.38029667  0.17595201  0.28374380
   0.16236143  0.37412377  0.01312762
   0.40615885  0.42132080  0.34389467
   0.53569584  0.33482845  0.18818345
   0.28873391  0.40394383  0.17590273
   0.19702086  0.12740939  0.41804164
  -0.03726724  0.17898846  0.39936494
   0.03762922 -0.05153192  0.50120712
   0.46806573  0.23398525  0.76398731
   0.06017405  0.20518238  0.58842474
   0.36349851  0.47103936  0.83545991
   0.48758419  0.45554642  0.67571062
   0.23522067  0.34309338  0.69578062
   0.25513766  0.21065381 -0.12495836
   0.02589076  0.16908821  0.95726679
   0.11960541  0.60424114  0.09958503
   0.38428459  0.68491233  0.27473476
   0.13806105  0.86153746  0.03860114
   0.35870350  0.93994758  0.35880529
   0.42150606  0.90413540  0.18405896
   0.16584988  0.83884502  0.23703414
   0.30975152  0.62490109  0.44803484
   0.07480184  0.61146345  0.37472872
   0.17105203  0.43267205  0.51431108
   0.29708364  0.69187624  0.76861675
   0.11159212  0.70852399  0.54011589
   0.35327040  0.99612188  0.78799092
   0.50155848  0.91872338  0.64162698
   0.23719964  0.89825788  0.63892713
   0.29806655  0.66357303 -0.03882742
   0.03214781  0.68381486  0.92705186
   0.62578050  0.03915897  0.10236378
   0.85255614  0.19511707  0.23861134
   0.65423376  0.28296270  0.01506965
   0.83274116  0.46024758  0.36058900
   0.03834728  0.35603179  0.18194361
   0.77536734  0.42316768  0.15586165
   0.68696257  0.16423469  0.37840292
   0.45950149  0.13774814  0.46779777
   0.69121879  0.05938582  0.54753968
   0.84168059  0.25387500  0.84026120
   0.61425959  0.32422958  0.53216815
   0.85589886  0.49694875  0.87909122
   0.98159139  0.44425053  0.66032789
   0.74275404  0.41012293  0.69792520
   0.78338611  0.06441369  0.97106987
   0.48554540  0.11148829  0.94046976
   0.56212990  0.53075580  0.05696893
   0.88180571  0.70314978  0.27543134
   0.54893369  0.79637702  0.04403891
   0.85053484  0.95646940  0.32828530
   0.92701323  0.89228571  0.14691972
   0.67244555  0.85210681  0.21802597
   0.81994766  0.69434290  0.44853993
   0.56566446  0.60200165  0.39503851
   0.66591005  0.58814580  0.57063343
   0.83636774  0.74964071  0.81244577
   0.59123407  0.83401163  0.48480250
   0.94155806  0.98646756  0.83934230
   0.98390060  0.85205207  0.67254210
   0.74190498  0.96061569  0.72580545
   0.76532609  0.68335743  0.98107002
   0.52728079  0.66941455  0.88358028
   0.74188718  0.81727725  0.58319662
   0.39413445  0.85581106  0.38866075
   0.87786350  0.24588110  0.06079650
   1.01001436  0.20418879  0.33221508
   0.34516196  0.09611965  0.62832145
   0.29819278  0.78516976  0.74525354
   0.22666294  1.10712210  0.15995697
   0.27343314  1.14063193  0.03727583
   0.61841120  0.43462908  0.84790272
   0.79744727  0.39362535  0.63325745
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894269    0.126142   -0.184904
    -0.000000    9.982297    0.180018
    -0.000000    0.000000   13.788502
   Si   O    H 
    32    64    10
Direct configuration=  2869
   0.18295443  0.22258000 -0.01675367
   0.35012130  0.09842810  0.38359965
   0.14587295  0.44092816  0.12345973
   0.40743157  0.33344070  0.24806869
   0.06437774  0.11338963  0.49370139
   0.39785958  0.13137852  0.84537015
   0.11079734  0.36170155  0.61570410
   0.38316327  0.38191093  0.74042625
   0.14587465  0.70416327  0.00484699
   0.40838240  0.58184841  0.36232234
   0.09052040  0.91185285  0.14433339
   0.32701078  0.84094946  0.26302308
   0.15537616  0.58306716  0.47806315
   0.36402788  0.62739397  0.86196019
   0.09767346  0.85295896  0.58996797
   0.35947423  0.98259711  0.67055249
   0.63867669  0.12007683  1.00289878
   0.82211473  0.12012213  0.33396815
   0.63312898  0.39153407  0.10277760
   0.88718335  0.30134905  0.15662495
   0.61425702  0.17401064  0.48211137
   0.89678059  0.11754272  0.89461544
   0.62781491  0.44673057  0.61290444
   0.76462040  0.39134564  0.81648601
   0.60886404  0.66050373 -0.00850980
   0.90601805  0.60839690  0.36822050
   0.57218990  0.89338249  0.13295843
   0.83228673  0.84389549  0.23568873
   0.65519035  0.68395091  0.47239795
   0.87121661  0.65567154  0.90090255
   0.66115235  0.93151690  0.61705531
   0.87900770  0.88191700  0.75967307
   0.12163648  0.07433665  0.16940716
   0.38006141  0.17635208  0.28458188
   0.16274785  0.37492398  0.01344065
   0.40731792  0.42156811  0.34424880
   0.53625024  0.33760155  0.18719700
   0.28925206  0.40441051  0.17615720
   0.19795495  0.12899377  0.41783914
  -0.03590170  0.17841035  0.39842184
   0.03680547 -0.05109326  0.50262778
   0.46794699  0.23421170  0.76278678
   0.06032235  0.20600966  0.58968225
   0.36329583  0.47109575  0.83632263
   0.48820928  0.45580611  0.67676024
   0.23614667  0.34377237  0.69508974
   0.25469538  0.20941080 -0.12509329
   0.02632724  0.17019991  0.95563886
   0.11993640  0.60394096  0.09917808
   0.38405806  0.68691493  0.27283085
   0.13785194  0.86160703  0.03777370
   0.36030737  0.93959499  0.35849892
   0.42284418  0.90473085  0.18377829
   0.16457803  0.83932237  0.23827547
   0.30863130  0.62434520  0.44816997
   0.07392868  0.61078997  0.37466400
   0.17106679  0.43210105  0.51413323
   0.29757149  0.69107064  0.76810354
   0.11421480  0.70679375  0.53988525
   0.35357685  0.99750173  0.78722590
   0.50187340  0.91807110  0.64325269
   0.23681808  0.89730495  0.63955313
   0.29678834  0.66487932 -0.03895034
   0.03136182  0.68349119  0.92668072
   0.62533586  0.03924685  0.10193056
   0.85333501  0.19647127  0.23910669
   0.65148913  0.28353977  0.01596892
   0.83383727  0.45896731  0.35967694
   0.03547264  0.35528991  0.18225994
   0.77658415  0.42468476  0.15569183
   0.68632650  0.16563458  0.37811803
   0.46089573  0.13656181  0.46701248
   0.69043815  0.06034656  0.54670149
   0.84076249  0.25388300  0.84103117
   0.61392934  0.32602763  0.53104813
   0.85626159  0.49619721  0.87943674
   0.98298797  0.44366447  0.66014097
   0.74168295  0.40833863  0.69586867
   0.78437020  0.06462859  0.97179970
   0.48596293  0.11036415  0.94193298
   0.56057290  0.52900020  0.05574496
   0.88220155  0.70190369  0.27634767
   0.54820629  0.79677252  0.04333040
   0.84897615  0.95822710  0.32748245
   0.92716843  0.89201166  0.14704783
   0.67397722  0.85112514  0.21765892
   0.82323000  0.69511993  0.44857145
   0.56565009  0.60203138  0.39529220
   0.66568211  0.58676380  0.57042901
   0.83534765  0.74912295  0.81247648
   0.59271360  0.83208573  0.48417248
   0.94175601  0.98710110  0.83872653
   0.98513374  0.85013582  0.67244080
   0.74086393  0.96127501  0.72438678
   0.76468057  0.68487789  0.98139349
   0.52761082  0.66915738  0.88316008
   0.73999282  0.81616571  0.58218145
   0.39687056  0.84725927  0.40467062
   0.87203766  0.24978819  0.05708957
   1.00267170  0.21754402  0.33599594
   0.34743261  0.10864908  0.62115877
   0.29716335  0.77880814  0.75060158
   0.21889626  1.10432374  0.15900200
   0.27715321  1.13792655  0.03851825
   0.63311086  0.43605320  0.84367982
   0.76972548  0.38005864  0.63889195
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893925    0.127723   -0.184056
    -0.000000    9.982187    0.181527
    -0.000000    0.000000   13.790532
   Si   O    H 
    32    64    10
Direct configuration=  2870
   0.18320269  0.22236179 -0.01641948
   0.35061818  0.09993277  0.38382317
   0.14721068  0.44122637  0.12368456
   0.40673281  0.33310115  0.24822352
   0.06408817  0.11299482  0.49386699
   0.39787475  0.13242996  0.84485285
   0.10997641  0.36041590  0.61597086
   0.38236518  0.38134273  0.74142423
   0.14656528  0.70427427  0.00601030
   0.40835723  0.58283854  0.36263283
   0.08990157  0.91011875  0.14318445
   0.32577309  0.83912029  0.26140861
   0.15529103  0.58205919  0.47775946
   0.36306588  0.62714647  0.86125820
   0.09755584  0.85196409  0.59028140
   0.35842940  0.98208979  0.66882885
   0.63661017  0.12152359  1.00185902
   0.82224469  0.12016568  0.33342319
   0.63479680  0.39041320  0.10249780
   0.88840367  0.30229480  0.15626529
   0.61382741  0.17433850  0.48203322
   0.89678419  0.11796049  0.89518839
   0.62580412  0.44572104  0.61215450
   0.76504600  0.39091246  0.81775617
   0.60852899  0.66132912 -0.00913864
   0.90519415  0.60818751  0.36902165
   0.57148965  0.89379503  0.13247840
   0.83408177  0.84355627  0.23608195
   0.65602408  0.68502654  0.47260655
   0.87204627  0.65572462  0.90027718
   0.66215033  0.93259844  0.61794040
   0.87852559  0.88345255  0.75973281
   0.12319524  0.07650772  0.16925649
   0.37947049  0.17658590  0.28483346
   0.16298621  0.37530565  0.01352793
   0.40836052  0.42153057  0.34454358
   0.53709891  0.34082625  0.18602529
   0.28926541  0.40451225  0.17700472
   0.19845106  0.13122090  0.41801479
  -0.03475867  0.17744206  0.39772232
   0.03582527 -0.05001748  0.50401903
   0.46786941  0.23448946  0.76144260
   0.06037036  0.20623591  0.59088336
   0.36295626  0.47179165  0.83699447
   0.48929501  0.45612125  0.67765126
   0.23729336  0.34462074  0.69495963
   0.25413297  0.20927870 -0.12507269
   0.02714665  0.17085802  0.95431359
   0.11984168  0.60395867  0.09896871
   0.38387774  0.68850375  0.27146753
   0.13850009  0.86166557  0.03688289
   0.36100768  0.93830549  0.35823983
   0.42373335  0.90471895  0.18351899
   0.16381706  0.83940500  0.23909663
   0.30798693  0.62453659  0.44841419
   0.07230657  0.61039567  0.37554919
   0.17071428  0.43053391  0.51461577
   0.29715087  0.68943905  0.76798360
   0.11665674  0.70561534  0.54036038
   0.35387128  0.99780115  0.78663193
   0.50229061  0.91627672  0.64460996
   0.23675222  0.89584820  0.64005492
   0.29496265  0.66615005 -0.03917873
   0.03003042  0.68336872  0.92604319
   0.62419299  0.03957700  0.10138745
   0.85386489  0.19752919  0.23954208
   0.64886061  0.28407964  0.01685626
   0.83562140  0.45788830  0.35892027
   0.03332325  0.35465026  0.18248735
   0.77752333  0.42648071  0.15546318
   0.68518221  0.16711611  0.37818168
   0.46137243  0.13544963  0.46643299
   0.68980055  0.06058435  0.54574367
   0.83926181  0.25354580  0.84171814
   0.61384598  0.32755640  0.52945365
   0.85623573  0.49556606  0.87941118
   0.98449781  0.44265228  0.65966889
   0.74044795  0.40705222  0.69452032
   0.78474512  0.06550662  0.97240167
   0.48721387  0.10882250  0.94331408
   0.55921793  0.52648870  0.05446605
   0.88274371  0.70089645  0.27650409
   0.54745510  0.79590450  0.04309459
   0.84693106  0.95965445  0.32664057
   0.92713744  0.89151810  0.14617268
   0.67593688  0.84947956  0.21754677
   0.82500029  0.69598210  0.44931307
   0.56615177  0.60219826  0.39631832
   0.66510946  0.58544441  0.56996711
   0.83403250  0.74838744  0.81219243
   0.59400973  0.82958812  0.48349845
   0.94227798  0.98779738  0.83854250
   0.98615352  0.84825073  0.67292272
   0.74044208  0.96235979  0.72208564
   0.76389910  0.68681628  0.98186369
   0.52779843  0.66825755  0.88284018
   0.73930513  0.81628439  0.58194581
   0.40442944  0.84142308  0.42271474
   0.86610438  0.25474454  0.05631201
   0.99988721  0.22773033  0.34208992
   0.34786661  0.12238673  0.61394598
   0.29606823  0.79035495  0.75419602
   0.20561180  1.09968865  0.15826015
   0.28246865  1.13325167  0.04166115
   0.64430907  0.43732169  0.83762673
   0.77642921  0.35720037  0.64097951
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893445    0.128811   -0.182979
    -0.000000    9.982096    0.183230
    -0.000000    0.000000   13.792638
   Si   O    H 
    32    64    10
Direct configuration=  2871
   0.18361510  0.22171148 -0.01671933
   0.35148259  0.10173167  0.38383976
   0.14869146  0.44129536  0.12410238
   0.40489379  0.33218141  0.24833298
   0.06481400  0.11211520  0.49402601
   0.39758699  0.13369246  0.84439278
   0.10975938  0.35932928  0.61653501
   0.38144841  0.38019464  0.74241239
   0.14710377  0.70361041  0.00718939
   0.40821633  0.58414533  0.36290420
   0.08899070  0.90850118  0.14235637
   0.32465495  0.83672237  0.25934514
   0.15616182  0.58061710  0.47692880
   0.36278150  0.62702178  0.86079249
   0.09715655  0.85082158  0.59055685
   0.35741685  0.98172398  0.66765938
   0.63431336  0.12341960  1.00078761
   0.82258412  0.12034406  0.33298157
   0.63690898  0.39009578  0.10184433
   0.88953289  0.30311668  0.15544332
   0.61336955  0.17466552  0.48286058
   0.89674529  0.11851958  0.89593031
   0.62293048  0.44540795  0.61134747
   0.76643219  0.39056058  0.81852876
   0.60760137  0.66282228 -0.00995891
   0.90409887  0.60759296  0.36973739
   0.57073721  0.89481657  0.13215357
   0.83562178  0.84346712  0.23681395
   0.65744384  0.68627865  0.47315346
   0.87267579  0.65537945  0.89989982
   0.66240156  0.93358250  0.61855567
   0.87801299  0.88516535  0.75967307
   0.12297213  0.07758527  0.16896385
   0.37916914  0.17773511  0.28450037
   0.16393450  0.37523123  0.01444727
   0.40936709  0.42182329  0.34502802
   0.53838065  0.34305098  0.18555818
   0.28823413  0.40522646  0.17770266
   0.19872581  0.13369259  0.41858223
  -0.03361171  0.17655411  0.39693228
   0.03568583 -0.04914113  0.50561731
   0.46745178  0.23461065  0.75984914
   0.06072137  0.20639952  0.59150516
   0.36316900  0.47241060  0.83826642
   0.49108103  0.45646964  0.67794616
   0.23742182  0.34499040  0.69439443
   0.25442767  0.20922533 -0.12463489
   0.02804766  0.17114731  0.95271595
   0.12133834  0.60444767  0.09889423
   0.38263852  0.68980870  0.27039296
   0.13921760  0.86140793  0.03608667
   0.36162551  0.93626165  0.35783261
   0.42387736  0.90570056  0.18343655
   0.16358948  0.83840684  0.23982333
   0.30774843  0.62467637  0.44855527
   0.07137288  0.60996972  0.37646068
   0.17001999  0.42896355  0.51544790
   0.29582170  0.68935788  0.76711391
   0.11892966  0.70480653  0.54134890
   0.35450698  0.99788780  0.78665171
   0.50269464  0.91470382  0.64571088
   0.23670976  0.89419443  0.64090221
   0.29299760  0.66892236 -0.03924210
   0.02874219  0.68328700  0.92600823
   0.62360428  0.04079199  0.10099214
   0.85359435  0.19811803  0.23964420
   0.64718794  0.28523546  0.01771336
   0.83844812  0.45723326  0.35832132
   0.03216602  0.35483924  0.18261944
   0.77858850  0.42871281  0.15554111
   0.68425443  0.16922889  0.37804859
   0.46143673  0.13539549  0.46647009
   0.68978384  0.06048222  0.54523918
   0.83817718  0.25333461  0.84188276
   0.61382532  0.32909170  0.52864505
   0.85652119  0.49538789  0.87972241
   0.98619603  0.44158317  0.65955802
   0.73963910  0.40698080  0.69318644
   0.78566399  0.06576009  0.97288810
   0.48907756  0.10746334  0.94513016
   0.55822361  0.52394069  0.05283981
   0.88196713  0.70061270  0.27578343
   0.54716194  0.79486447  0.04327430
   0.84477745  0.96126825  0.32507501
   0.92705977  0.89116809  0.14520769
   0.67718595  0.84759887  0.21733643
   0.82591993  0.69682947  0.45041569
   0.56683842  0.60242464  0.39770714
   0.66465031  0.58403859  0.56951673
   0.83191382  0.74757855  0.81171348
   0.59461648  0.82795316  0.48317224
   0.94344919  0.98838009  0.83841440
   0.98699439  0.84688900  0.67348858
   0.73973499  0.96363017  0.72014152
   0.76325961  0.68917677  0.98264229
   0.52851045  0.66680676  0.88264837
   0.74094778  0.81905415  0.58502258
   0.41907159  0.84138569  0.43899084
   0.86240307  0.25733232  0.05502870
   1.00645512  0.23720657  0.34708037
   0.34845042  0.12948682  0.61156599
   0.29495443  0.79118916  0.76028779
   0.21912685  1.10250620  0.15306583
   0.28129459  1.13326228  0.04331015
   0.64268163  0.43692261  0.83549292
   0.79883306  0.32828337  0.64889281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892829    0.130324   -0.182523
    -0.000000    9.981835    0.184914
    -0.000000    0.000000   13.794192
   Si   O    H 
    32    64    10
Direct configuration=  2872
   0.18422715  0.22100535 -0.01744475
   0.35218479  0.10272920  0.38421967
   0.14965392  0.44118014  0.12510838
   0.40315347  0.33138645  0.24859521
   0.06580118  0.11146283  0.49415449
   0.39661254  0.13513780  0.84410954
   0.10901203  0.35897615  0.61697164
   0.38050172  0.37843106  0.74338604
   0.14765017  0.70260352  0.00811046
   0.40859521  0.58537207  0.36309649
   0.08797396  0.90693828  0.14165391
   0.32330781  0.83496441  0.25751495
   0.15659979  0.57905337  0.47602271
   0.36247562  0.62791291  0.85991580
   0.09660609  0.84970557  0.59090748
   0.35639374  0.98189617  0.66653337
   0.63230131  0.12530232  1.00018133
   0.82260367  0.12033016  0.33308015
   0.63894670  0.39055353  0.10151779
   0.89054816  0.30412298  0.15386261
   0.61348946  0.17481289  0.48414840
   0.89721452  0.11904462  0.89672121
   0.61949174  0.44534264  0.61007642
   0.76827625  0.39063073  0.81882638
   0.60642742  0.66454876 -0.01057990
   0.90343405  0.60711101  0.37029399
   0.57005482  0.89566402  0.13212065
   0.83670200  0.84336909  0.23779875
   0.65856457  0.68698670  0.47367651
   0.87350595  0.65455012  0.89925919
   0.66229571  0.93470704  0.61905803
   0.87709927  0.88701637  0.75978071
   0.12299371  0.07761423  0.16802932
   0.37884978  0.17842995  0.28374958
   0.16574332  0.37525419  0.01474443
   0.41007673  0.42291635  0.34559139
   0.53993748  0.34521143  0.18502910
   0.28741102  0.40605927  0.17802657
   0.19921664  0.13531326  0.42007932
  -0.03273095  0.17467699  0.39637108
   0.03555602 -0.04663371  0.50723109
   0.46665997  0.23495703  0.75967248
   0.06141066  0.20628488  0.59161716
   0.36398898  0.47282696  0.83941906
   0.49255965  0.45712830  0.67834822
   0.23702557  0.34547074  0.69394554
   0.25514562  0.20850737 -0.12362323
   0.02880528  0.17125058  0.95176956
   0.12246327  0.60473196  0.09875743
   0.38178451  0.69105886  0.26954640
   0.14091781  0.86074414  0.03499847
   0.36245468  0.93397075  0.35764814
   0.42373107  0.90590500  0.18359041
   0.16391738  0.83763997  0.24072178
   0.30828131  0.62513094  0.44853761
   0.07041153  0.60983851  0.37720794
   0.16866453  0.42692798  0.51625038
   0.29505018  0.69022335  0.76587431
   0.12013357  0.70368721  0.54240674
   0.35522162  0.99818311  0.78640249
   0.50340057  0.91325074  0.64640299
   0.23671379  0.89227790  0.64163250
   0.29120886  0.67139107 -0.03925767
   0.02716594  0.68347217  0.92626067
   0.62250889  0.04144413  0.10092862
   0.85334901  0.19832188  0.23944013
   0.64620983  0.28640867  0.01839360
   0.84128877  0.45600180  0.35863819
   0.03258519  0.35541413  0.18234086
   0.77965421  0.43037845  0.15577319
   0.68300574  0.17162749  0.37811106
   0.46138464  0.13500115  0.46663177
   0.68983114  0.05966692  0.54453375
   0.83783332  0.25284435  0.84274258
   0.61487107  0.33032221  0.52795800
   0.85691965  0.49469811  0.87993473
   0.98822270  0.44095090  0.65885636
   0.73976300  0.40548399  0.69151041
   0.78661440  0.06677752  0.97291422
   0.49117054  0.10589042  0.94622887
   0.55809501  0.52338167  0.05113076
   0.88228870  0.70023338  0.27523687
   0.54627738  0.79367674  0.04312212
   0.84241041  0.96302530  0.32313887
   0.92682720  0.89097897  0.14449135
   0.67775872  0.84573579  0.21679015
   0.82664138  0.69811365  0.45093191
   0.56751444  0.60222351  0.39813544
   0.66439751  0.58352444  0.56899200
   0.82932659  0.74763689  0.81062766
   0.59421477  0.82652369  0.48217754
   0.94495655  0.98898999  0.83817403
   0.98725111  0.84592870  0.67422559
   0.73948146  0.96486052  0.71865153
   0.76339785  0.69218173  0.98423266
   0.52922198  0.66569888  0.88220191
   0.74337673  0.82322930  0.59039841
   0.43462622  0.84911941  0.45066266
   0.86009849  0.25751030  0.05607034
   1.01938871  0.24723955  0.35297731
   0.34937167  0.12874849  0.61290354
   0.29386134  0.78041771  0.76940849
   0.22715860  1.10259662  0.15144662
   0.27920065  1.13271921  0.04728061
   0.63275947  0.43382770  0.83428028
   0.81904293  0.31127061  0.65995481
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892116    0.131729   -0.181688
    -0.000000    9.981519    0.186730
    -0.000000    0.000000   13.795792
   Si   O    H 
    32    64    10
Direct configuration=  2873
   0.18520367  0.22026948 -0.01830300
   0.35340143  0.10334489  0.38484295
   0.15063788  0.44077531  0.12580222
   0.40220940  0.33049779  0.24903175
   0.06722522  0.11135964  0.49391462
   0.39577949  0.13638652  0.84345503
   0.10819443  0.35948108  0.61712482
   0.37984510  0.37608158  0.74415196
   0.14750377  0.70170871  0.00927750
   0.40852187  0.58668685  0.36318436
   0.08694208  0.90602385  0.14138941
   0.32188491  0.83401840  0.25581183
   0.15758958  0.57796040  0.47551605
   0.36308061  0.62912431  0.85891658
   0.09611021  0.84835549  0.59110356
   0.35592779  0.98257553  0.66541501
   0.63071351  0.12663798  0.99946461
   0.82274106  0.11981867  0.33298059
   0.64127013  0.39196884  0.10096770
   0.89048625  0.30492698  0.15250127
   0.61370868  0.17481019  0.48485514
   0.89796551  0.11973311  0.89799667
   0.61647799  0.44511125  0.60892590
   0.77031392  0.39115393  0.81904932
   0.60498431  0.66627089 -0.01116586
   0.90285127  0.60640212  0.37068347
   0.56960169  0.89644120  0.13192622
   0.83711216  0.84334763  0.23861465
   0.65986463  0.68707852  0.47385908
   0.87451983  0.65386894  0.89860879
   0.66244213  0.93594838  0.61932557
   0.87601994  0.88885410  0.75956618
   0.12301169  0.07768016  0.16718612
   0.37828929  0.17935700  0.28319803
   0.16693999  0.37567445  0.01487847
   0.41008394  0.42381449  0.34562418
   0.54117498  0.34719954  0.18469386
   0.28654566  0.40633532  0.17835442
   0.19960563  0.13714844  0.42181843
  -0.03233451  0.17359229  0.39582389
   0.03627107 -0.04393273  0.50874680
   0.46529787  0.23486514  0.75990844
   0.06182671  0.20641290  0.59110891
   0.36456393  0.47318572  0.84024446
   0.49304952  0.45779802  0.67890109
   0.23676470  0.34590608  0.69383951
   0.25634299  0.20767754 -0.12260544
   0.03031482  0.17087848  0.95098355
   0.12417386  0.60378667  0.09949344
   0.38049420  0.69078187  0.26882445
   0.14167946  0.86038134  0.03429986
   0.36322817  0.93178494  0.35799345
   0.42410462  0.90694906  0.18437110
   0.16432785  0.83769581  0.24132439
   0.30914222  0.62541095  0.44810166
   0.06881551  0.60973450  0.37861341
   0.16671089  0.42551494  0.51687804
   0.29378858  0.68922896  0.76420917
   0.12176070  0.70274531  0.54332231
   0.35656839  0.99943891  0.78646381
   0.50330324  0.91135731  0.64714997
   0.23650655  0.89074955  0.64247453
   0.29041541  0.67408106 -0.03924837
   0.02589807  0.68396196  0.92688939
   0.62149513  0.04306001  0.10083159
   0.85272129  0.19854553  0.23908389
   0.64547657  0.28765187  0.01874194
   0.84474365  0.45551082  0.35916646
   0.03343919  0.35605829  0.18214161
   0.78027555  0.43152828  0.15526985
   0.68159641  0.17421329  0.37847965
   0.46096780  0.13475204  0.46660268
   0.68967909  0.05870133  0.54401411
   0.83808859  0.25156317  0.84328279
   0.61606129  0.33118084  0.52671466
   0.85715081  0.49379945  0.88000886
   0.98940133  0.44031977  0.65833324
   0.74074550  0.40410925  0.69021659
   0.78675571  0.06805636  0.97292719
   0.49326525  0.10405830  0.94657111
   0.55772603  0.52254019  0.04915381
   0.88271581  0.70051701  0.27436108
   0.54514529  0.79291397  0.04276805
   0.84107256  0.96472533  0.32129727
   0.92627704  0.89070223  0.14394234
   0.67765274  0.84458117  0.21552341
   0.82687267  0.69919601  0.45162549
   0.56826247  0.60246819  0.39840308
   0.66346522  0.58356600  0.56826873
   0.82652150  0.74836998  0.80988591
   0.59235181  0.82647484  0.48155590
   0.94589036  0.98932361  0.83800265
   0.98753477  0.84487322  0.67518432
   0.73932515  0.96640760  0.71744029
   0.76386940  0.69453736  0.98588615
   0.52955820  0.66413823  0.88174367
   0.74947045  0.82225375  0.59305573
   0.45630168  0.85511703  0.45936169
   0.86380216  0.25471246  0.05898891
   1.02814321  0.24958104  0.36193554
   0.34917034  0.11760603  0.61692504
   0.29247774  0.79222363  0.77377442
   0.22491099  1.10104964  0.15052990
   0.27564283  1.13643319  0.04836573
   0.61952660  0.42741352  0.83446908
   0.83605843  0.30565061  0.67111896
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891238    0.133434   -0.180745
    -0.000000    9.980940    0.188252
    -0.000000    0.000000   13.797243
   Si   O    H 
    32    64    10
Direct configuration=  2874
   0.18593850  0.21947522 -0.01909699
   0.35394288  0.10346119  0.38534140
   0.15154526  0.44010028  0.12631904
   0.40137079  0.33023046  0.24940305
   0.06862097  0.11149108  0.49285993
   0.39507438  0.13787683  0.84320328
   0.10820899  0.36004024  0.61731885
   0.37887869  0.37387063  0.74468710
   0.14708855  0.70089432  0.00983839
   0.40813331  0.58781026  0.36327250
   0.08622553  0.90543223  0.14097716
   0.32099274  0.83337684  0.25452093
   0.15826045  0.57704369  0.47497840
   0.36412713  0.62977114  0.85824140
   0.09555502  0.84707670  0.59148373
   0.35641119  0.98392663  0.66447500
   0.63007276  0.12805793  0.99893326
   0.82257208  0.11876425  0.33297081
   0.64323687  0.39391117  0.10023066
   0.89059177  0.30505022  0.15132041
   0.61419750  0.17503499  0.48489629
   0.89924553  0.12061533  0.89909031
   0.61431743  0.44416040  0.60759272
   0.77218147  0.39220092  0.81924973
   0.60427222  0.66752567 -0.01150497
   0.90171865  0.60521588  0.37121874
   0.56949036  0.89687049  0.13168132
   0.83770390  0.84389378  0.23958187
   0.66121109  0.68703050  0.47400255
   0.87558224  0.65272362  0.89849092
   0.66253503  0.93706735  0.61934139
   0.87516641  0.89071076  0.75944568
   0.12308402  0.07762804  0.16608195
   0.37798162  0.18115648  0.28267227
   0.16785234  0.37617510  0.01538389
   0.40921741  0.42463827  0.34531605
   0.54153571  0.34875288  0.18451249
   0.28676849  0.40524169  0.17965620
   0.20029240  0.13895929  0.42347313
  -0.03148596  0.17333606  0.39520114
   0.03684105 -0.04052367  0.51041638
   0.46503318  0.23553025  0.76082536
   0.06254888  0.20570921  0.59048149
   0.36517749  0.47265550  0.84098825
   0.49243885  0.45842616  0.67882044
   0.23652727  0.34606914  0.69386663
   0.25866965  0.20706800 -0.12143667
   0.03224505  0.17084285  0.95011865
   0.12572056  0.60182853  0.10004774
   0.38016298  0.68938307  0.26858532
   0.14222919  0.85993526  0.03344709
   0.36294625  0.93131022  0.35798879
   0.42420268  0.90845877  0.18479761
   0.16439073  0.83842438  0.24133849
   0.30984642  0.62536758  0.44752084
   0.06794252  0.60953199  0.38032218
   0.16491222  0.42403299  0.51736098
   0.29300150  0.68881624  0.76250233
   0.12355135  0.70175446  0.54421210
   0.35661594  1.00027386  0.78672553
   0.50309617  0.90934287  0.64779132
   0.23591722  0.88991232  0.64288142
   0.28980586  0.67635836 -0.03986461
   0.02535137  0.68445590  0.92733489
   0.62023269  0.04520420  0.10119355
   0.85128769  0.19952571  0.23843436
   0.64479063  0.28855092  0.01866358
   0.84879893  0.45514078  0.36004402
   0.03395647  0.35617341  0.18166153
   0.78036891  0.43229186  0.15432796
   0.68117253  0.17625991  0.37813565
   0.45983162  0.13420454  0.46681232
   0.68936839  0.05755903  0.54418138
   0.83840913  0.25007259  0.84449437
   0.61717909  0.33173226  0.52592600
   0.85698364  0.49299955  0.88015907
   0.99000772  0.44036541  0.65774092
   0.74302256  0.40254855  0.68926897
   0.78615256  0.06901921  0.97270249
   0.49461815  0.10200527  0.94600636
   0.55792101  0.52239046  0.04736771
   0.88397472  0.70074905  0.27320205
   0.54405276  0.79204330  0.04304209
   0.83947889  0.96627813  0.31995116
   0.92576229  0.89058877  0.14368175
   0.67727070  0.84352675  0.21359134
   0.82618011  0.70040146  0.45194326
   0.56954537  0.60178334  0.39830800
   0.66202430  0.58415651  0.56735642
   0.82392479  0.74948137  0.80907273
   0.58954763  0.82765993  0.48075093
   0.94706627  0.99037433  0.83770886
   0.98635656  0.84445676  0.67638048
   0.73909572  0.96813426  0.71732658
   0.76541216  0.69612806  0.98638629
   0.52964902  0.66248489  0.88154033
   0.75229684  0.81965600  0.59902814
   0.48868786  0.85864095  0.46927358
   0.86994808  0.24763276  0.06147246
   1.02697713  0.24955228  0.37131311
   0.34984037  0.10652414  0.62055308
   0.29229522  0.79491712  0.77740574
   0.20979233  1.09762462  0.15135020
   0.27312440  1.13988148  0.04753654
   0.61345167  0.42277072  0.83326708
   0.84565013  0.31632767  0.68263325
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890419    0.135683   -0.179850
    -0.000000    9.980593    0.189054
    -0.000000    0.000000   13.798648
   Si   O    H 
    32    64    10
Direct configuration=  2875
   0.18603285  0.21855516 -0.01972536
   0.35421129  0.10312385  0.38572116
   0.15223984  0.43972822  0.12636956
   0.40076440  0.33044466  0.24943821
   0.06962808  0.11240764  0.49179046
   0.39451461  0.13844657  0.84294671
   0.10823829  0.36033507  0.61737501
   0.37839220  0.37275591  0.74532231
   0.14604036  0.70025086  0.01018474
   0.40835838  0.58875257  0.36349193
   0.08611614  0.90479937  0.14053383
   0.32041406  0.83324269  0.25357326
   0.15932079  0.57577995  0.47415941
   0.36521016  0.63019342  0.85775897
   0.09514503  0.84584754  0.59197446
   0.35746992  0.98449866  0.66421785
   0.63056089  0.12932353  0.99844260
   0.82252280  0.11828464  0.33328936
   0.64473857  0.39593740  0.10008363
   0.89029157  0.30565757  0.15090594
   0.61453557  0.17558331  0.48443392
   0.90019461  0.12107217  0.89973175
   0.61339938  0.44321175  0.60613635
   0.77348130  0.39353977  0.81927067
   0.60348064  0.66816662 -0.01224173
   0.90086669  0.60422238  0.37173832
   0.56983032  0.89703615  0.13171469
   0.83797141  0.84443574  0.24026566
   0.66273327  0.68636073  0.47397209
   0.87644154  0.65152519  0.89876443
   0.66248274  0.93788554  0.61896475
   0.87480582  0.89242913  0.75917632
   0.12219446  0.07699951  0.16510738
   0.37704101  0.18313281  0.28227627
   0.16939325  0.37739457  0.01571043
   0.40855395  0.42556870  0.34552629
   0.54146201  0.35094938  0.18444959
   0.28689043  0.40380282  0.18058604
   0.20075807  0.14091037  0.42483909
  -0.03072627  0.17343773  0.39493591
   0.03749643 -0.03728858  0.51141081
   0.46493273  0.23645038  0.76197349
   0.06302781  0.20540116  0.58968800
   0.36551456  0.47153555  0.84187549
   0.49108050  0.45855207  0.67890115
   0.23608252  0.34644989  0.69363688
   0.26103597  0.20615691 -0.12055301
   0.03460841  0.17074738  0.94990819
   0.12722557  0.59932490  0.10066209
   0.38045747  0.68742330  0.26819246
   0.14306772  0.86011506  0.03327693
   0.36293210  0.93100901  0.35759271
   0.42426127  0.90987276  0.18488948
   0.16309561  0.83914344  0.24106747
   0.31080797  0.62562722  0.44733089
   0.06650597  0.60914919  0.38177686
   0.16331398  0.42258148  0.51783176
   0.29235804  0.68931125  0.76121809
   0.12496579  0.70101220  0.54532667
   0.35667015  1.00204909  0.78768159
   0.50246048  0.90747601  0.64780730
   0.23558787  0.88876144  0.64313650
   0.28937801  0.67847697 -0.04018936
   0.02536037  0.68431417  0.92731020
   0.61900111  0.04692294  0.10146807
   0.84966177  0.20102603  0.23709815
   0.64438514  0.28784085  0.01780619
   0.85174521  0.45530010  0.36127975
   0.03463519  0.35737819  0.18140660
   0.78132788  0.43328872  0.15342074
   0.68155734  0.17839362  0.37868531
   0.45881474  0.13396745  0.46695457
   0.68948857  0.05643265  0.54419467
   0.83791124  0.24735293  0.84538028
   0.61859515  0.33145226  0.52527151
   0.85648403  0.49297877  0.88025221
   0.98973974  0.44044818  0.65743532
   0.74576576  0.40036159  0.68835452
   0.78573196  0.06974703  0.97286736
   0.49501949  0.10049195  0.94502918
   0.55835945  0.52311348  0.04542446
   0.88538792  0.70110436  0.27255280
   0.54234382  0.79156561  0.04321911
   0.83854012  0.96739296  0.31844769
   0.92492765  0.89014565  0.14340967
   0.67678716  0.84196070  0.21200405
   0.82556815  0.70166893  0.45231808
   0.57052257  0.60123346  0.39773075
   0.66045778  0.58531756  0.56636292
   0.82162591  0.75049370  0.80804292
   0.58620176  0.82937685  0.48054075
   0.94735325  0.99071800  0.83719432
   0.98469979  0.84453008  0.67721730
   0.73893832  0.97012693  0.71724180
   0.76804236  0.69767353  0.98615418
   0.52931031  0.66102543  0.88176469
   0.75161620  0.81653107  0.60718629
   0.52744439  0.85569844  0.47698403
   0.87683038  0.23887340  0.05865164
   1.01691269  0.24521741  0.37757860
   0.34967307  0.10467572  0.61784966
   0.28900711  0.78360739  0.77413312
   0.20968266  1.09594396  0.14951257
   0.26825423  1.14501936  0.04832131
   0.61888335  0.41670356  0.83397889
   0.85260153  0.33619056  0.68987625
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889873    0.138612   -0.178765
    -0.000000    9.980387    0.190336
    -0.000000    0.000000   13.799927
   Si   O    H 
    32    64    10
Direct configuration=  2876
   0.18549428  0.21768248 -0.02022742
   0.35428966  0.10270416  0.38563894
   0.15299049  0.43953492  0.12643030
   0.40033688  0.33096100  0.24987965
   0.07063065  0.11343741  0.49091529
   0.39432474  0.13804989  0.84267123
   0.10827173  0.36049941  0.61720303
   0.37832683  0.37197081  0.74616067
   0.14486433  0.70000750  0.00991500
   0.40926449  0.58999238  0.36362364
   0.08618478  0.90489418  0.14040867
   0.32081402  0.83322864  0.25349847
   0.15977325  0.57530597  0.47376582
   0.36682041  0.63026343  0.85705259
   0.09447043  0.84429359  0.59198537
   0.35863887  0.98504314  0.66454698
   0.63216456  0.13036836  0.99811699
   0.82176524  0.11870107  0.33356071
   0.64449972  0.39815763  0.10031134
   0.89015037  0.30625810  0.15074092
   0.61498993  0.17643165  0.48352568
   0.90103561  0.12144410  0.90051107
   0.61234625  0.44204349  0.60523535
   0.77430210  0.39456611  0.81922524
   0.60218775  0.66879905 -0.01282537
   0.89987475  0.60316104  0.37238311
   0.57021306  0.89707149  0.13156055
   0.83821452  0.84526784  0.24084176
   0.66508754  0.68503956  0.47430147
   0.87674304  0.64985779  0.89923590
   0.66256175  0.93773981  0.61885079
   0.87361108  0.89405425  0.75901462
   0.12024831  0.07617574  0.16413685
   0.37634043  0.18537773  0.28206786
   0.17054361  0.37782681  0.01636692
   0.40752322  0.42647889  0.34567693
   0.54059132  0.35291072  0.18427737
   0.28809317  0.40230397  0.18156429
   0.20068450  0.14294359  0.42628254
  -0.03139037  0.17315238  0.39526165
   0.03804711 -0.03472027  0.51220314
   0.46579497  0.23774675  0.76363174
   0.06348505  0.20461493  0.58855166
   0.36552480  0.47020463  0.84219357
   0.48952207  0.45925090  0.67826541
   0.23540044  0.34753156  0.69274002
   0.26362920  0.20584345 -0.11996299
   0.03657374  0.17066146  0.94984009
   0.12824707  0.59699005  0.10117087
   0.38008244  0.68469476  0.26853286
   0.14365174  0.86032706  0.03339507
   0.36314584  0.93050704  0.35775786
   0.42416788  0.91057988  0.18472713
   0.16137523  0.84037076  0.24032644
   0.31132344  0.62696339  0.44701009
   0.06527627  0.60837024  0.38335492
   0.16218835  0.42161748  0.51761786
   0.29178612  0.68977753  0.76078706
   0.12665858  0.70024365  0.54660203
   0.35632973  1.00394913  0.78842904
   0.50160001  0.90615556  0.64845676
   0.23567915  0.88740461  0.64321179
   0.28832310  0.68018880 -0.04043150
   0.02499912  0.68421278  0.92736546
   0.61760021  0.04903346  0.10210940
   0.84871907  0.20258272  0.23574125
   0.64360690  0.28765310  0.01705021
   0.85396328  0.45479236  0.36270422
   0.03596646  0.35865222  0.18102162
   0.78255115  0.43456548  0.15283817
   0.68181979  0.17966126  0.37893413
   0.45861650  0.13349010  0.46808843
   0.69009609  0.05534245  0.54407579
   0.83793733  0.24520044  0.84529989
   0.61972084  0.33089711  0.52516751
   0.85612800  0.49314561  0.88068111
   0.98907003  0.44030039  0.65739807
   0.74925629  0.39704720  0.68767028
   0.78517932  0.07082210  0.97210533
   0.49435196  0.09865395  0.94309040
   0.55830221  0.52373589  0.04359338
   0.88611990  0.70085462  0.27234829
   0.54143886  0.79258489  0.04336708
   0.83829093  0.96716472  0.31665280
   0.92336420  0.88997361  0.14314513
   0.67700658  0.84043055  0.21105757
   0.82453078  0.70347798  0.45214171
   0.57212227  0.60053726  0.39709771
   0.65864042  0.58646156  0.56539880
   0.81971035  0.75198402  0.80694191
   0.58896805  0.82795948  0.48096372
   0.94722332  0.99083462  0.83694900
   0.98306081  0.84503529  0.67797672
   0.73851335  0.97225531  0.71761360
   0.77017029  0.69946556  0.98569146
   0.52865974  0.66107885  0.88196875
   0.74607359  0.81212976  0.61300519
   0.46859295  0.89740772  0.47642507
   0.88508839  0.23042320  0.05576952
   1.01216807  0.25700583  0.37633212
   0.34938409  0.11681220  0.61420953
   0.28505617  0.77740918  0.76802164
   0.21873687  1.09706742  0.14634808
   0.26787526  1.14922454  0.05005506
   0.63125061  0.40752085  0.83531521
   0.85941533  0.36366971  0.69096908
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889150    0.141340   -0.177465
    -0.000000    9.980032    0.191040
    -0.000000    0.000000   13.801351
   Si   O    H 
    32    64    10
Direct configuration=  2877
   0.18485497  0.21702722 -0.02109331
   0.35401366  0.10173461  0.38524234
   0.15337551  0.43894239  0.12594945
   0.40043701  0.33190152  0.25030712
   0.07181843  0.11561632  0.49019009
   0.39372541  0.13737395  0.84239144
   0.10862344  0.36037933  0.61700350
   0.37753403  0.37181957  0.74686290
   0.14346549  0.70004521  0.00935986
   0.41080705  0.59093815  0.36371743
   0.08577946  0.90561740  0.13976646
   0.32159351  0.83377849  0.25345815
   0.16000820  0.57517076  0.47357843
   0.36875097  0.63059510  0.85661040
   0.09406650  0.84352156  0.59146161
   0.36028800  0.98530064  0.66453744
   0.63410766  0.13116942  0.99788516
   0.82093907  0.11954171  0.33355356
   0.64415298  0.40064802  0.10019449
   0.88974933  0.30757356  0.15081231
   0.61515414  0.17742080  0.48294372
   0.90167921  0.12161354  0.90112587
   0.61155022  0.44117960  0.60418143
   0.77411627  0.39528251  0.81877031
   0.60104754  0.66882257 -0.01351790
   0.89918482  0.60225197  0.37312836
   0.57045761  0.89682598  0.13171012
   0.83827512  0.84663820  0.24153782
   0.66724993  0.68340907  0.47437551
   0.87646384  0.64883276  0.89936132
   0.66279875  0.93732987  0.61867259
   0.87257160  0.89467221  0.75936200
   0.11888198  0.07522882  0.16300473
   0.37527866  0.18766413  0.28252327
   0.17182546  0.37704107  0.01697761
   0.40664455  0.42735458  0.34586216
   0.53935844  0.35408524  0.18476880
   0.28908694  0.40086521  0.18243276
   0.20159425  0.14563527  0.42740407
  -0.03227109  0.17240631  0.39564034
   0.03953285 -0.03302024  0.51311678
   0.46626492  0.23817698  0.76541276
   0.06455288  0.20357720  0.58784102
   0.36589178  0.46849633  0.84251883
   0.48723757  0.45945699  0.67763959
   0.23447131  0.34890768  0.69168614
   0.26634031  0.20594277 -0.11914529
   0.03886315  0.16961644  0.95051737
   0.12886092  0.59464698  0.10218671
   0.38001142  0.68204671  0.26883149
   0.14388661  0.86032701  0.03384438
   0.36369139  0.93032186  0.35772312
   0.42390808  0.91123721  0.18342115
   0.16099814  0.84150058  0.23958573
   0.31081430  0.62926694  0.44687245
   0.06441506  0.60733481  0.38503152
   0.16129714  0.42160001  0.51732109
   0.29198557  0.68926263  0.76040691
   0.12761500  0.69973541  0.54754302
   0.35638382  1.00533765  0.78918490
   0.50135764  0.90467862  0.64912104
   0.23577248  0.88535039  0.64287736
   0.28741941  0.68167544 -0.04115059
   0.02500365  0.68434756  0.92736424
   0.61637285  0.05084399  0.10278243
   0.84863902  0.20434575  0.23465178
   0.64362987  0.28723689  0.01619992
   0.85644527  0.45424714  0.36423870
   0.03791581  0.36018684  0.18092071
   0.78429024  0.43610185  0.15211290
   0.68291189  0.18036638  0.37929850
   0.45843618  0.13241344  0.46901810
   0.69028759  0.05440679  0.54419548
   0.83756793  0.24387386  0.84489891
   0.62101695  0.32931638  0.52543020
   0.85634470  0.49364375  0.88106976
   0.98649516  0.43945710  0.65743409
   0.75269315  0.39412128  0.68796191
   0.78372602  0.07108506  0.97101821
   0.49343656  0.09721846  0.94105410
   0.55878979  0.52532033  0.04127928
   0.88647151  0.70101405  0.27234061
   0.54151829  0.79403098  0.04350225
   0.83878417  0.96703711  0.31537171
   0.92157747  0.88945321  0.14269931
   0.67655162  0.83852685  0.20982455
   0.82453488  0.70471151  0.45212004
   0.57312953  0.60047614  0.39661030
   0.65747719  0.58722666  0.56470140
   0.81771382  0.75228647  0.80598566
   0.59056712  0.82798592  0.48176861
   0.94609450  0.99090557  0.83599064
   0.98113472  0.84612440  0.67857198
   0.73764302  0.97481567  0.71790915
   0.77191879  0.70068093  0.98498409
   0.52802221  0.66030939  0.88212130
   0.73742857  0.80999742  0.61590168
   0.42536648  0.92557251  0.47410588
   0.88912095  0.22608947  0.05472609
   1.00477044  0.26837528  0.37259862
   0.34846931  0.12365064  0.61091097
   0.27853624  0.79768289  0.76138853
   0.21971936  1.09607089  0.14817043
   0.26880315  1.14922658  0.05428738
   0.64019867  0.39936546  0.84019255
   0.86912236  0.39365620  0.68272079
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888899    0.143711   -0.175817
    -0.000000    9.980027    0.191431
    -0.000000    0.000000   13.802635
   Si   O    H 
    32    64    10
Direct configuration=  2878
   0.18486203  0.21718612 -0.02181002
   0.35413207  0.10042931  0.38423940
   0.15456879  0.43851371  0.12511198
   0.40095166  0.33298254  0.25054767
   0.07311038  0.11813383  0.48949885
   0.39349328  0.13626000  0.84210319
   0.10939264  0.35968880  0.61685287
   0.37674667  0.37266193  0.74682193
   0.14221011  0.69955150  0.00877507
   0.41327103  0.59166886  0.36354435
   0.08475896  0.90675248  0.13906472
   0.32301957  0.83461840  0.25375779
   0.16044947  0.57567865  0.47357933
   0.37045266  0.63085891  0.85628075
   0.09371336  0.84258173  0.59090823
   0.36220423  0.98512255  0.66477133
   0.63577169  0.13104028  0.99757774
   0.82002856  0.12064827  0.33318578
   0.64357183  0.40297157  0.10018240
   0.89011506  0.30854805  0.15090487
   0.61530615  0.17910650  0.48309254
   0.90269621  0.12160279  0.90165899
   0.61153854  0.44081300  0.60371040
   0.77360650  0.39504290  0.81792382
   0.60034613  0.66878434 -0.01396344
   0.89897362  0.60119870  0.37339915
   0.57010532  0.89664169  0.13177485
   0.83777908  0.84762405  0.24172332
   0.66962658  0.68207178  0.47337425
   0.87611847  0.64881132  0.89946424
   0.66232301  0.93634097  0.61832947
   0.87106265  0.89522968  0.75997820
   0.11876668  0.07470245  0.16160297
   0.37362317  0.18885838  0.28342223
   0.17367553  0.37574769  0.01744799
   0.40614884  0.42824593  0.34583827
   0.53832333  0.35545163  0.18512528
   0.29038062  0.39953281  0.18336993
   0.20420518  0.14776248  0.42830592
  -0.03303142  0.17220710  0.39635133
   0.04010288 -0.03235983  0.51437627
   0.46762364  0.23901803  0.76775756
   0.06579919  0.20256803  0.58674757
   0.36516751  0.46673643  0.84277398
   0.48513718  0.45986917  0.67682550
   0.23387152  0.34944348  0.69040466
   0.26756782  0.20602856 -0.11819490
   0.04091751  0.16854693  0.95123366
   0.12995541  0.59324013  0.10270878
   0.37984005  0.67945132  0.26868402
   0.14477760  0.85972744  0.03343094
   0.36398026  0.93092784  0.35744312
   0.42320607  0.91224718  0.18255711
   0.16009368  0.84222633  0.23817350
   0.31007770  0.63150748  0.44663344
   0.06370319  0.60653775  0.38689442
   0.16051186  0.42179746  0.51678994
   0.29259756  0.68985079  0.75967825
   0.12773476  0.69845973  0.54885634
   0.35654016  1.00492618  0.78928908
   0.50094017  0.90402554  0.64979753
   0.23651201  0.88356334  0.64222773
   0.28687991  0.68278681 -0.04140297
   0.02500265  0.68515316  0.92754595
   0.61530736  0.05136551  0.10308669
   0.84858356  0.20601953  0.23363696
   0.64354647  0.28736386  0.01538137
   0.85864777  0.45314569  0.36570523
   0.04027933  0.36235783  0.18128346
   0.78676671  0.43792972  0.15105066
   0.68435548  0.18074058  0.37978204
   0.45886882  0.13107543  0.47018208
   0.68997411  0.05468016  0.54455422
   0.83755776  0.24333407  0.84398426
   0.62220101  0.32718127  0.52475663
   0.85637384  0.49448470  0.88127876
   0.98325009  0.43811850  0.65836930
   0.75506502  0.39094949  0.68861983
   0.78291540  0.07207727  0.97021550
   0.49297363  0.09603523  0.93899933
   0.55880809  0.52729989  0.03917949
   0.88764182  0.70074779  0.27188728
   0.54175362  0.79539075  0.04428663
   0.84000951  0.96635261  0.31382618
   0.92066591  0.88841276  0.14177718
   0.67591234  0.83699717  0.20862993
   0.82492978  0.70498201  0.45262126
   0.57370378  0.60056090  0.39588572
   0.65561629  0.58771143  0.56464236
   0.81640019  0.75218639  0.80478934
   0.59251346  0.82909947  0.48229540
   0.94496572  0.99155188  0.83535026
   0.97941453  0.84711165  0.67879020
   0.73794187  0.97789693  0.71861314
   0.77239327  0.70158014  0.98348396
   0.52647892  0.65973787  0.88217595
   0.72944771  0.80959964  0.61840775
   0.39150088  0.94210993  0.46715832
   0.88999320  0.22620500  0.05650746
   0.99403351  0.27313353  0.37121106
   0.34924048  0.12171807  0.61076961
   0.27483086  0.80031764  0.75339386
   0.20936146  1.09227723  0.15157130
   0.27150754  1.14776368  0.05451501
   0.64153952  0.39172880  0.84559087
   0.88166119  0.42316294  0.67006178
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888549    0.145835   -0.174526
    -0.000000    9.979932    0.191341
    -0.000000    0.000000   13.804277
   Si   O    H 
    32    64    10
Direct configuration=  2879
   0.18535510  0.21772841 -0.02244593
   0.35373168  0.09852007  0.38328208
   0.15563813  0.43817253  0.12425712
   0.40161272  0.33493779  0.25040180
   0.07460204  0.12019220  0.48904990
   0.39391085  0.13545595  0.84205409
   0.10945894  0.35855395  0.61694092
   0.37595701  0.37376004  0.74700559
   0.14105646  0.69843444  0.00764940
   0.41544537  0.59235332  0.36391129
   0.08364733  0.90825179  0.13837199
   0.32526944  0.83548901  0.25402396
   0.16115929  0.57608787  0.47381801
   0.37168143  0.63065313  0.85627170
   0.09340042  0.84144162  0.59040460
   0.36381635  0.98504299  0.66548133
   0.63759233  0.13073613  0.99789432
   0.81921714  0.12141986  0.33242549
   0.64246012  0.40524136  0.10010553
   0.89054881  0.30896534  0.15096250
   0.61568396  0.18048778  0.48342480
   0.90384982  0.12137673  0.90190160
   0.61194962  0.44066449  0.60358652
   0.77391386  0.39431291  0.81665967
   0.59991878  0.66903197 -0.01410634
   0.89901330  0.60017143  0.37313087
   0.57071430  0.89633455  0.13177593
   0.83652651  0.84846377  0.24194273
   0.67057946  0.68137101  0.47208865
   0.87499886  0.64864014  0.89956692
   0.66146379  0.93483796  0.61804526
   0.86982884  0.89566334  0.76080249
   0.11784555  0.07310361  0.15979612
   0.37192128  0.18952283  0.28460900
   0.17618766  0.37391336  0.01795599
   0.40595507  0.42957647  0.34538415
   0.53768860  0.35716625  0.18570825
   0.29167837  0.39914713  0.18412590
   0.20704308  0.15009653  0.42891605
  -0.03406499  0.17223047  0.39735962
   0.04075569 -0.03158297  0.51588850
   0.46932296  0.24006546  0.77008892
   0.06685609  0.20251690  0.58548432
   0.36450780  0.46620659  0.84261838
   0.48336506  0.46046521  0.67620287
   0.23399194  0.34954642  0.68873955
   0.26865817  0.20603298 -0.11748893
   0.04259506  0.16746872  0.95202653
   0.13121087  0.59267448  0.10334250
   0.38053850  0.67815231  0.26861591
   0.14528516  0.85913277  0.03290949
   0.36430138  0.93141783  0.35715258
   0.42323209  0.91315166  0.18185103
   0.15901680  0.84291284  0.23684237
   0.31000238  0.63364257  0.44629617
   0.06310697  0.60614945  0.38848549
   0.16009644  0.42214152  0.51573984
   0.29292097  0.69093272  0.75929930
   0.12834987  0.69761340  0.55034916
   0.35595947  1.00467320  0.78865174
   0.50024857  0.90319008  0.65059875
   0.23650822  0.88274259  0.64133054
   0.28709359  0.68367733 -0.04134417
   0.02558589  0.68620302  0.92769821
   0.61418807  0.05208763  0.10384004
   0.84822339  0.20679174  0.23366771
   0.64308648  0.28712192  0.01459788
   0.85956983  0.45143828  0.36734917
   0.04102128  0.36376128  0.18180498
   0.78906803  0.43936917  0.14977527
   0.68537002  0.18066446  0.37969588
   0.45873069  0.13033134  0.47091557
   0.68916756  0.05519506  0.54388283
   0.83683392  0.24434581  0.84347796
   0.62293967  0.32590100  0.52369545
   0.85666862  0.49553382  0.88089602
   0.97983045  0.43707668  0.65916151
   0.75778459  0.38857046  0.68943857
   0.78132612  0.07356091  0.96982127
   0.49388816  0.09470197  0.93655359
   0.55862335  0.52912856  0.03723951
   0.88839034  0.70011629  0.27179598
   0.54226318  0.79637851  0.04507071
   0.84064539  0.96718526  0.31279693
   0.92038499  0.88805825  0.14069225
   0.67607025  0.83546320  0.20742838
   0.82611655  0.70438404  0.45297600
   0.57412084  0.60099872  0.39519089
   0.65418686  0.58791598  0.56566897
   0.81574896  0.75108187  0.80372947
   0.59338830  0.82938442  0.48274067
   0.94405401  0.99225668  0.83551227
   0.97854853  0.84732883  0.67834253
   0.73877582  0.98026404  0.71943758
   0.77265724  0.70264193  0.98180416
   0.52574837  0.65961652  0.88228005
   0.72522330  0.80656662  0.62120198
   0.36395863  0.94812107  0.46186280
   0.88933643  0.23038327  0.06234498
   0.97990038  0.27462640  0.37061639
   0.35209184  0.11628778  0.61508917
   0.27225418  0.78604426  0.74918304
   0.20860705  1.08968781  0.15497102
   0.27028934  1.14738186  0.05285838
   0.63460453  0.38570892  0.85378924
   0.89973688  0.44799837  0.65629839
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888171    0.147129   -0.173500
    -0.000000    9.980110    0.191299
    -0.000000    0.000000   13.806041
   Si   O    H 
    32    64    10
Direct configuration=  2880
   0.18640368  0.21896408 -0.02249231
   0.35331645  0.09698530  0.38215548
   0.15719936  0.43856145  0.12299203
   0.40250161  0.33723188  0.24995556
   0.07639575  0.12191975  0.48878553
   0.39502509  0.13441898  0.84234443
   0.10918490  0.35726877  0.61709097
   0.37602522  0.37543780  0.74679630
   0.14090918  0.69745902  0.00663359
   0.41785306  0.59236814  0.36433463
   0.08286150  0.90949989  0.13763339
   0.32716997  0.83643440  0.25430226
   0.16130545  0.57637618  0.47414633
   0.37313122  0.62988043  0.85611723
   0.09301221  0.84048408  0.58967112
   0.36512089  0.98509046  0.66631206
   0.63851842  0.13000971  0.99844258
   0.81832045  0.12216057  0.33230709
   0.64119599  0.40689870  0.10036956
   0.89151841  0.30903055  0.15127178
   0.61587569  0.18215165  0.48367696
   0.90448957  0.12119003  0.90202473
   0.61201909  0.44055945  0.60390585
   0.77425968  0.39347202  0.81476010
   0.59934307  0.66940113 -0.01424786
   0.89899209  0.59949021  0.37302758
   0.57173710  0.89611205  0.13151766
   0.83551612  0.84877017  0.24215628
   0.67045514  0.68078742  0.47100752
   0.87375960  0.64922459  0.89963272
   0.66060328  0.93400302  0.61806334
   0.86962443  0.89493029  0.76156103
   0.11606412  0.07065912  0.15833708
   0.37112716  0.18911656  0.28599258
   0.17844845  0.37295083  0.01889446
   0.40471034  0.43046465  0.34489711
   0.53698429  0.35823979  0.18618362
   0.29296683  0.39906583  0.18506478
   0.20969973  0.15174972  0.42913290
  -0.03540864  0.17317840  0.39806164
   0.04082027 -0.03174748  0.51740937
   0.47065863  0.24199499  0.77194658
   0.06745294  0.20255028  0.58439748
   0.36322971  0.46655080  0.84245561
   0.48146425  0.46108263  0.67565812
   0.23367125  0.34973030  0.68798626
   0.27016202  0.20617627 -0.11637252
   0.04397850  0.16606526  0.95243498
   0.13215799  0.59291944  0.10357347
   0.38096247  0.67778349  0.26876122
   0.14572398  0.85831473  0.03271154
   0.36368060  0.93156960  0.35691010
   0.42285863  0.91323519  0.18154812
   0.15915325  0.84263781  0.23572708
   0.31000071  0.63494079  0.44640804
   0.06227730  0.60573068  0.38927344
   0.16023583  0.42302648  0.51364369
   0.29315169  0.69165802  0.75861929
   0.12838649  0.69610690  0.55181573
   0.35563275  1.00344707  0.78784851
   0.49920609  0.90248467  0.65171589
   0.23629595  0.88244281  0.63993416
   0.28803100  0.68377582 -0.04206765
   0.02529085  0.68636476  0.92758069
   0.61336135  0.05230371  0.10448550
   0.84759370  0.20684430  0.23423292
   0.64283389  0.28755221  0.01457784
   0.85989819  0.44955429  0.36911748
   0.04168441  0.36561023  0.18240280
   0.79106287  0.44018408  0.14805823
   0.68776512  0.17979774  0.37910046
   0.45899365  0.12965989  0.47154123
   0.68905822  0.05622396  0.54335664
   0.83584256  0.24547890  0.84276809
   0.62311975  0.32510708  0.52345088
   0.85657579  0.49725541  0.88006145
   0.98071722  0.43588800  0.66008840
   0.75982618  0.38742263  0.69007408
   0.77983670  0.07452151  0.96929988
   0.49481787  0.09354647  0.93401168
   0.55922937  0.53082121  0.03616071
   0.88919508  0.69900560  0.27206926
   0.54257231  0.79744703  0.04589800
   0.84162615  0.96809691  0.31242466
   0.92011254  0.88741645  0.13975494
   0.67615300  0.83416821  0.20618357
   0.82759986  0.70443102  0.45297412
   0.57449794  0.60202793  0.39441491
   0.65350596  0.58691201  0.56704126
   0.81605726  0.74967193  0.80326611
   0.59439609  0.82862136  0.48291187
   0.94303831  0.99312627  0.83597951
   0.97821913  0.84683724  0.67747413
   0.73883853  0.98258586  0.71990994
   0.77190225  0.70258128  0.98025030
   0.52544512  0.65999879  0.88232935
   0.72661645  0.79946034  0.62408361
   0.33972860  0.94484359  0.46189138
   0.88795773  0.23662252  0.06567012
   0.96510998  0.27249919  0.37258129
   0.35319152  0.11132534  0.62083231
   0.27017702  0.77362861  0.74711138
   0.21717696  1.08978333  0.15640053
   0.26878629  1.14667955  0.04823564
   0.63058848  0.38162255  0.86005002
   0.87096750  0.47647607  0.64224668
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887944    0.147936   -0.172402
    -0.000000    9.980428    0.191625
    -0.000000    0.000000   13.807202
   Si   O    H 
    32    64    10
Direct configuration=  2881
   0.18735256  0.22014573 -0.02239163
   0.35333076  0.09559520  0.38119438
   0.15935596  0.43864037  0.12198133
   0.40396894  0.33916892  0.25032784
   0.07838151  0.12398368  0.48867479
   0.39713270  0.13321511  0.84300907
   0.10886636  0.35610727  0.61731489
   0.37637503  0.37713847  0.74651434
   0.14084607  0.69642977  0.00591263
   0.42018844  0.59253932  0.36488510
   0.08269604  0.91124108  0.13686061
   0.32891197  0.83707404  0.25479488
   0.16208138  0.57724043  0.47495844
   0.37390479  0.62964253  0.85650318
   0.09254111  0.83976318  0.58886672
   0.36563651  0.98452566  0.66758579
   0.63897345  0.12909711  0.99931756
   0.81748819  0.12287629  0.33227638
   0.64049828  0.40837710  0.10040558
   0.89241959  0.30904778  0.15121788
   0.61628362  0.18307024  0.48398438
   0.90562865  0.12090708  0.90184135
   0.61207936  0.44053747  0.60474469
   0.77430470  0.39182144  0.81345816
   0.59871468  0.67025917 -0.01414129
   0.89871787  0.59900966  0.37286132
   0.57311922  0.89640738  0.13100913
   0.83528223  0.84842774  0.24210963
   0.66962046  0.68102615  0.46993145
   0.87274028  0.65005833  0.89930668
   0.65965670  0.93316683  0.61786863
   0.86936359  0.89387116  0.76180742
   0.11451365  0.06887515  0.15699035
   0.37045166  0.18837866  0.28775183
   0.18038741  0.37134148  0.01965045
   0.40314278  0.43076209  0.34529890
   0.53677703  0.35860661  0.18696411
   0.29278495  0.40050284  0.18504376
   0.21210304  0.15207645  0.42940156
  -0.03739765  0.17398798  0.39846406
   0.04090361 -0.03216103  0.51846455
   0.47197773  0.24467615  0.77306703
   0.06780685  0.20301928  0.58354037
   0.36163938  0.46637739  0.84186049
   0.48015262  0.46089683  0.67489549
   0.23293985  0.35031852  0.68769726
   0.27202248  0.20648294 -0.11610012
   0.04387601  0.16508332  0.95277448
   0.13277211  0.59328448  0.10311089
   0.38197002  0.67839553  0.26795441
   0.14617937  0.85778223  0.03331093
   0.36253298  0.93169875  0.35668990
   0.42252923  0.91315031  0.18105249
   0.15937007  0.84244498  0.23482328
   0.31068712  0.63514256  0.44663649
   0.06174820  0.60555077  0.38970862
   0.16025875  0.42412602  0.51192998
   0.29397439  0.69026841  0.75836023
   0.12783337  0.69496365  0.55294968
   0.35535437  1.00203566  0.78619237
   0.49861780  0.90150357  0.65254240
   0.23749777  0.88242023  0.63906203
   0.28966362  0.68393927 -0.04310548
   0.02480990  0.68607709  0.92755569
   0.61260756  0.05147968  0.10525720
   0.84624903  0.20677742  0.23439420
   0.64257267  0.28850062  0.01467512
   0.85989960  0.44751536  0.37098060
   0.04259217  0.36593711  0.18302439
   0.79286123  0.44125813  0.14576274
   0.68888526  0.17984173  0.37861502
   0.45886876  0.12928987  0.47147364
   0.68960047  0.05792859  0.54241941
   0.83521703  0.24721530  0.84249196
   0.62316208  0.32583039  0.52370013
   0.85707188  0.49932253  0.87975678
   0.98138835  0.43489435  0.66079522
   0.76084427  0.38679887  0.69001344
   0.77902012  0.07590192  0.96887391
   0.49711159  0.09241706  0.93185361
   0.56071028  0.53110159  0.03535665
   0.88986606  0.69851067  0.27280352
   0.54252829  0.79749872  0.04657874
   0.84256617  0.96960800  0.31220326
   0.92017836  0.88657150  0.13936857
   0.67647541  0.83348686  0.20581097
   0.82930066  0.70436517  0.45281153
   0.57540851  0.60252993  0.39355684
   0.65309906  0.58558817  0.56852699
   0.81702714  0.74855191  0.80305948
   0.59566223  0.82809608  0.48302969
   0.94227343  0.99350043  0.83624172
   0.97703396  0.84720038  0.67671784
   0.73915813  0.98486271  0.71971396
   0.77081871  0.70334509  0.97884783
   0.52575720  0.66080503  0.88214947
   0.73083560  0.79161555  0.62798185
   0.31410477  0.93671217  0.46714938
   0.88310047  0.24252678  0.06451193
   0.95319148  0.26998401  0.37699725
   0.35379425  0.11340189  0.62254477
   0.26160818  0.79846605  0.73967467
   0.21628217  1.09021459  0.16013684
   0.26683177  1.14321979  0.04645802
   0.63117531  0.38229087  0.86298927
   0.86031212  0.49264515  0.63317620
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887849    0.148403   -0.171150
    -0.000000    9.980512    0.191777
    -0.000000    0.000000   13.808193
   Si   O    H 
    32    64    10
Direct configuration=  2882
   0.18855582  0.22108060 -0.02212074
   0.35344520  0.09451979  0.38063179
   0.16129554  0.43815000  0.12126973
   0.40603886  0.34015500  0.25089107
   0.07991626  0.12595640  0.48891576
   0.39942666  0.13179904  0.84373503
   0.10801959  0.35451774  0.61735220
   0.37721800  0.37830311  0.74604602
   0.14095049  0.69542529  0.00535304
   0.42217535  0.59233297  0.36529820
   0.08320037  0.91254317  0.13612792
   0.32986982  0.83779773  0.25532831
   0.16291695  0.57843955  0.47576509
   0.37370033  0.62925020  0.85726545
   0.09241636  0.83921347  0.58869601
   0.36628557  0.98393520  0.66911418
   0.63931446  0.12818676  0.99970128
   0.81713443  0.12352497  0.33154761
   0.63890940  0.40928963  0.10109244
   0.89304314  0.30881748  0.15152650
   0.61682543  0.18355639  0.48417796
   0.90596827  0.12126289  0.90127598
   0.61286981  0.44045061  0.60627432
   0.77376554  0.39018761  0.81200987
   0.59907146  0.67148886 -0.01393916
   0.89828692  0.59875169  0.37257652
   0.57412685  0.89763904  0.13059771
   0.83505915  0.84767248  0.24207619
   0.66894107  0.68172205  0.46946499
   0.87204739  0.65121655  0.89852941
   0.65910255  0.93250641  0.61762552
   0.86940302  0.89281873  0.76143249
   0.11355524  0.06713638  0.15534320
   0.36967778  0.18653664  0.28926505
   0.18172254  0.36962024  0.01976380
   0.40162997  0.43101441  0.34556976
   0.53682698  0.35854746  0.18771123
   0.29236424  0.40350476  0.18517343
   0.21428018  0.15203782  0.42915934
  -0.03979307  0.17450752  0.39863764
   0.04124038 -0.03236254  0.52002267
   0.47213942  0.24699491  0.77406304
   0.06837316  0.20328323  0.58335952
   0.36010762  0.46547879  0.84099825
   0.47786436  0.46178258  0.67407701
   0.23269623  0.35049999  0.68768972
   0.27410003  0.20715170 -0.11659601
   0.04318892  0.16442719  0.95285734
   0.13363718  0.59433695  0.10214644
   0.38348978  0.67952042  0.26682083
   0.14672547  0.85714944  0.03412880
   0.36169062  0.93133525  0.35671973
   0.42231791  0.91261197  0.18017901
   0.16038601  0.84269170  0.23484488
   0.31155285  0.63451986  0.44748346
   0.06090453  0.60567268  0.38972100
   0.16032740  0.42564355  0.51062519
   0.29465293  0.68867504  0.75853492
   0.12780078  0.69410007  0.55390261
   0.35492556  1.00137661  0.78399082
   0.49866747  0.90068355  0.65333168
   0.23783368  0.88244405  0.63813640
   0.29172357  0.68355532 -0.04405879
   0.02355471  0.68537865  0.92723198
   0.61172778  0.05042210  0.10555901
   0.84504492  0.20605318  0.23440713
   0.64260426  0.29014477  0.01521037
   0.85882228  0.44588067  0.37264701
   0.04277263  0.36561012  0.18417776
   0.79405740  0.44152853  0.14402332
   0.68779516  0.18046372  0.37837332
   0.45883814  0.12938661  0.47145124
   0.69120131  0.05950483  0.54135938
   0.83452572  0.24855684  0.84305792
   0.62318975  0.32733025  0.52436546
   0.85785714  0.50053428  0.87953637
   0.98046005  0.43374078  0.66102207
   0.76049711  0.38760858  0.69005729
   0.77814713  0.07640903  0.96791066
   0.49970388  0.09170102  0.93032656
   0.56230783  0.53063494  0.03511705
   0.89031037  0.69829189  0.27326046
   0.54266720  0.79722694  0.04692279
   0.84333048  0.97072379  0.31175492
   0.92037862  0.88558092  0.14005763
   0.67741824  0.83261701  0.20500430
   0.83071023  0.70412845  0.45295302
   0.57707872  0.60229812  0.39238158
   0.65300810  0.58524593  0.57061638
   0.81858806  0.74732533  0.80341814
   0.59710123  0.82705836  0.48368357
   0.94147474  0.99410745  0.83644171
   0.97648916  0.84713411  0.67610394
   0.73959666  0.98743414  0.71906591
   0.76892086  0.70390746  0.97737163
   0.52662580  0.66182380  0.88138575
   0.73657922  0.79095585  0.62818646
   0.29229651  0.92647482  0.47111806
   0.88228096  0.24530513  0.06059709
   0.94517656  0.27396603  0.38118216
   0.35161848  0.12248543  0.62119199
   0.25655365  0.80844921  0.73096383
   0.20714704  1.08791476  0.16311693
   0.26750611  1.13788543  0.04640883
   0.63628318  0.38251722  0.86406282
   0.86806045  0.49133312  0.62982487
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888257    0.149709   -0.170306
    -0.000000    9.980833    0.191466
    -0.000000    0.000000   13.809558
   Si   O    H 
    32    64    10
Direct configuration=  2883
   0.18907056  0.22218445 -0.02195878
   0.35385725  0.09403361  0.38049631
   0.16263620  0.43699749  0.12108496
   0.40766655  0.34071633  0.25114769
   0.08107913  0.12715131  0.48878617
   0.40168241  0.13004292  0.84440444
   0.10682869  0.35257446  0.61726671
   0.37757346  0.37885753  0.74519636
   0.14139955  0.69465293  0.00482114
   0.42389230  0.59161824  0.36534570
   0.08436751  0.91379296  0.13537594
   0.33024094  0.83865356  0.25589872
   0.16377507  0.57926578  0.47643664
   0.37324599  0.62893791  0.85823606
   0.09174080  0.83933537  0.58900397
   0.36696028  0.98253969  0.67071844
   0.63845206  0.12773225  0.99989414
   0.81694799  0.12410608  0.33121506
   0.63744186  0.40953904  0.10193317
   0.89397881  0.30906654  0.15207530
   0.61702930  0.18364732  0.48394287
   0.90555676  0.12155116  0.90057549
   0.61389602  0.44040123  0.60835045
   0.77221681  0.38894280  0.81027193
   0.60003877  0.67323272 -0.01386122
   0.89798321  0.59799798  0.37165091
   0.57520709  0.89963806  0.13003641
   0.83518873  0.84604898  0.24177132
   0.66785227  0.68305509  0.46945333
   0.87095049  0.65188754  0.89760877
   0.65899178  0.93199348  0.61732375
   0.86951766  0.89153316  0.76059954
   0.11345318  0.06605011  0.15382993
   0.36932015  0.18494998  0.28982397
   0.18295513  0.36846293  0.01936215
   0.40038792  0.43223879  0.34586278
   0.53727211  0.35707575  0.18902014
   0.29200247  0.40598084  0.18529041
   0.21603531  0.15222663  0.42925008
  -0.04283930  0.17443770  0.39867940
   0.04212143 -0.03262010  0.52147193
   0.47182874  0.24884037  0.77457297
   0.06931345  0.20447942  0.58357575
   0.35877145  0.46467563  0.84000217
   0.47637041  0.46197850  0.67356647
   0.23276945  0.35056142  0.68763819
   0.27616529  0.20793525 -0.11699992
   0.04253129  0.16423844  0.95271948
   0.13456625  0.59589579  0.10087156
   0.38466910  0.68027676  0.26626232
   0.14699536  0.85665848  0.03483415
   0.36071683  0.93131427  0.35688873
   0.42123119  0.91156383  0.17906122
   0.16175141  0.84312040  0.23444498
   0.31305370  0.63367544  0.44796875
   0.06022231  0.60535227  0.39010803
   0.16113223  0.42650284  0.51010496
   0.29552250  0.68857244  0.75826437
   0.12904121  0.69313656  0.55470229
   0.35407919  1.00139448  0.78145973
   0.50012486  0.90053057  0.65420584
   0.23824259  0.88242006  0.63785495
   0.29290657  0.68224550 -0.04545484
   0.02301389  0.68589443  0.92696902
   0.61054898  0.04850947  0.10571805
   0.84388166  0.20524067  0.23483799
   0.64258327  0.29222876  0.01587166
   0.85791280  0.44491458  0.37486316
   0.04316349  0.36622421  0.18531864
   0.79389701  0.44185978  0.14251571
   0.68658192  0.18019403  0.37856603
   0.45861052  0.12920629  0.47137265
   0.69242785  0.06089702  0.54021304
   0.83523165  0.24930610  0.84361644
   0.62330743  0.32935595  0.52452090
   0.85800930  0.50072859  0.87903230
   0.97965288  0.43305041  0.66083667
   0.75913649  0.38906987  0.69012750
   0.77819352  0.07633677  0.96684940
   0.50265396  0.09102478  0.92953348
   0.56336606  0.52942143  0.03505341
   0.89084951  0.69834675  0.27403546
   0.54356838  0.79677602  0.04737720
   0.84438540  0.97174229  0.31116986
   0.91969437  0.88558302  0.14041999
   0.67817054  0.83133821  0.20480438
   0.83149733  0.70306005  0.45285937
   0.57952327  0.60151682  0.39074811
   0.65217741  0.58462069  0.57225916
   0.81993601  0.74556179  0.80340725
   0.59913348  0.82696674  0.48436245
   0.94061924  0.99483935  0.83683777
   0.97602710  0.84675440  0.67512948
   0.73985435  0.99013067  0.71807270
   0.76572099  0.70436999  0.97605518
   0.52742257  0.66244074  0.88065923
   0.74013096  0.79531210  0.62864877
   0.27608376  0.91427188  0.47120881
   0.88540880  0.24839746  0.05375442
   0.94408519  0.28216620  0.38784841
   0.34853157  0.12631440  0.61869388
   0.25581315  0.80286191  0.72522519
   0.20379774  1.08752926  0.16475106
   0.27066665  1.13414942  0.04846578
   0.64035958  0.38592219  0.86313223
   0.89319739  0.47776724  0.63274709
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888379    0.151690   -0.169039
    -0.000000    9.981058    0.190913
    -0.000000    0.000000   13.811284
   Si   O    H 
    32    64    10
Direct configuration=  2884
   0.19003843  0.22258676 -0.02230504
   0.35482536  0.09354055  0.38093954
   0.16333370  0.43642045  0.12096435
   0.40822368  0.34083156  0.25151592
   0.08162125  0.12783223  0.48881454
   0.40354153  0.12895097  0.84468548
   0.10648422  0.35132183  0.61707692
   0.37768297  0.37911693  0.74455960
   0.14174071  0.69444764  0.00498194
   0.42482562  0.59054187  0.36562534
   0.08475702  0.91430806  0.13474881
   0.33103412  0.83859570  0.25683790
   0.16411227  0.58065845  0.47703938
   0.37299743  0.62953467  0.85868828
   0.09156900  0.83953210  0.58970117
   0.36774761  0.98193518  0.67221575
   0.63805354  0.12697756  0.99995687
   0.81700717  0.12498900  0.33041599
   0.63654304  0.40977995  0.10259069
   0.89484937  0.30948832  0.15212743
   0.61696524  0.18306372  0.48394437
   0.90508217  0.12223144  0.90039920
   0.61478960  0.44055843  0.61085337
   0.77038063  0.38832712  0.80893315
   0.60177549  0.67443501 -0.01386127
   0.89727015  0.59693768  0.37099091
   0.57541049  0.90168718  0.12982458
   0.83547182  0.84424528  0.24125883
   0.66697438  0.68512440  0.46951212
   0.87042610  0.65342931  0.89657194
   0.65939223  0.93177955  0.61685350
   0.86967580  0.89034351  0.75990880
   0.11341278  0.06503816  0.15256422
   0.36854632  0.18422425  0.28971975
   0.18350557  0.36811722  0.01840938
   0.39892659  0.43371150  0.34614947
   0.53854638  0.35475490  0.18977345
   0.29136541  0.40844022  0.18492483
   0.21800493  0.15176350  0.42954624
  -0.04587171  0.17440054  0.39894235
   0.04328076 -0.03303859  0.52235706
   0.47202204  0.25019086  0.77522514
   0.07027380  0.20614482  0.58426665
   0.35747842  0.46403482  0.83933983
   0.47516348  0.46230080  0.67336046
   0.23268620  0.35046733  0.68790058
   0.27770190  0.20883408 -0.11745861
   0.04147612  0.16349966  0.95330782
   0.13473527  0.59685582  0.09980132
   0.38629321  0.68159194  0.26639773
   0.14764611  0.85529738  0.03555658
   0.35901823  0.93112262  0.35707174
   0.42040320  0.91006719  0.17841048
   0.16415464  0.84349570  0.23391210
   0.31473620  0.63210184  0.44852865
   0.05856608  0.60487844  0.39049164
   0.16186499  0.42692891  0.51023172
   0.29550211  0.68898253  0.75842537
   0.12935184  0.69210064  0.55548631
   0.35420314  1.00131567  0.77995210
   0.50244504  0.89982241  0.65488175
   0.23873880  0.88392704  0.63777931
   0.29420258  0.68113211 -0.04702139
   0.02273930  0.68661263  0.92646776
   0.60981712  0.04724163  0.10589540
   0.84285506  0.20467110  0.23508079
   0.64306026  0.29480206  0.01655101
   0.85676147  0.44404935  0.37713267
   0.04298319  0.36624127  0.18620427
   0.79266117  0.44291378  0.14135338
   0.68498266  0.18083418  0.37878931
   0.45848329  0.12897039  0.47116608
   0.69415016  0.06198251  0.53909889
   0.83642965  0.24933057  0.84441663
   0.62409043  0.33115634  0.52512996
   0.85754576  0.50028766  0.87866911
   0.97936952  0.43256294  0.66055372
   0.75744101  0.39052479  0.69003660
   0.77857036  0.07639222  0.96531129
   0.50644839  0.09095173  0.92897232
   0.56369306  0.52858366  0.03504938
   0.89160391  0.69921808  0.27485700
   0.54491566  0.79636942  0.04737982
   0.84518701  0.97229465  0.31096885
   0.92030838  0.88652935  0.14138105
   0.67875382  0.83065554  0.20533191
   0.83224289  0.70211604  0.45255375
   0.58266804  0.60060286  0.38909090
   0.65240233  0.58474637  0.57350751
   0.82186914  0.74520553  0.80260624
   0.60161719  0.82648787  0.48460225
   0.94058358  0.99506669  0.83703376
   0.97645054  0.84624585  0.67428250
   0.74001140  0.99236793  0.71722566
   0.76287757  0.70467346  0.97543811
   0.52822602  0.66326059  0.87975044
   0.74009072  0.80403257  0.62887764
   0.26125626  0.90234088  0.46978160
   0.88724369  0.24866226  0.04957723
   0.94240876  0.28574633  0.39394887
   0.34555176  0.12277696  0.61733129
   0.25877858  0.78480733  0.72534137
   0.20792957  1.08841407  0.16623511
   0.26857222  1.13250350  0.04857659
   0.64427783  0.38875594  0.86055073
   0.92208244  0.46075147  0.63760631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888392    0.154030   -0.167559
    -0.000000    9.981124    0.190307
    -0.000000    0.000000   13.813113
   Si   O    H 
    32    64    10
Direct configuration=  2885
   0.19060478  0.22231418 -0.02257112
   0.35572733  0.09320796  0.38156221
   0.16368486  0.43618984  0.12106542
   0.40844130  0.34046390  0.25199597
   0.08114187  0.12718885  0.48905107
   0.40545111  0.12788710  0.84488673
   0.10608754  0.35052577  0.61673026
   0.37825669  0.37893012  0.74374850
   0.14200241  0.69424842  0.00526108
   0.42551922  0.58973278  0.36602410
   0.08434865  0.91479669  0.13450539
   0.33180857  0.83898474  0.25780126
   0.16504136  0.58136221  0.47778978
   0.37258738  0.62954908  0.85920561
   0.09110817  0.84012714  0.59036269
   0.36815181  0.98145616  0.67307922
   0.63699811  0.12607233  0.99955174
   0.81742290  0.12554083  0.33009107
   0.63580629  0.40972320  0.10374150
   0.89583440  0.30900801  0.15190150
   0.61668858  0.18227498  0.48396360
   0.90498516  0.12331893  0.90012808
   0.61548944  0.44009894  0.61364744
   0.76858164  0.38779900  0.80773314
   0.60300180  0.67588166 -0.01421941
   0.89712501  0.59632027  0.37031319
   0.57574413  0.90269240  0.12997978
   0.83609127  0.84294246  0.24049464
   0.66702551  0.68671351  0.46998596
   0.86990486  0.65537313  0.89580644
   0.66010882  0.93200995  0.61662965
   0.86999181  0.88970149  0.75936604
   0.11401295  0.06423174  0.15082123
   0.36770791  0.18430728  0.28856457
   0.18387674  0.36812222  0.01683364
   0.39823495  0.43458424  0.34691084
   0.53978907  0.35297290  0.19015898
   0.29132628  0.41118611  0.18497111
   0.21911217  0.15189383  0.42965117
  -0.04839130  0.17400668  0.39922786
   0.04441037 -0.03346522  0.52329820
   0.47250506  0.25115291  0.77650748
   0.07144007  0.20712662  0.58498040
   0.35606504  0.46376237  0.83837114
   0.47414997  0.46223400  0.67288165
   0.23326206  0.35108163  0.68803872
   0.27925527  0.20976796 -0.11798733
   0.04081404  0.16268457  0.95363870
   0.13550297  0.59783546  0.09850304
   0.38767621  0.68315212  0.26602095
   0.14906137  0.85379358  0.03632968
   0.35674628  0.93144656  0.35711349
   0.41937306  0.90862071  0.17740668
   0.16638476  0.84325917  0.23358046
   0.31647010  0.63004763  0.44933343
   0.05704880  0.60508594  0.39056894
   0.16346421  0.42683560  0.51094736
   0.29470499  0.68947323  0.75903617
   0.12883130  0.69180035  0.55640470
   0.35488051  1.00198622  0.77977356
   0.50480675  0.89908201  0.65541405
   0.23927460  0.88537862  0.63755738
   0.29380844  0.67903628 -0.04808374
   0.02233286  0.68762373  0.92578025
   0.60965213  0.04632806  0.10591909
   0.84179682  0.20457085  0.23507841
   0.64382821  0.29726322  0.01719601
   0.85597823  0.44240702  0.37876022
   0.04273420  0.36657953  0.18691463
   0.79206749  0.44419392  0.14074376
   0.68278052  0.18186660  0.37899378
   0.45875681  0.12896977  0.47060340
   0.69562952  0.06301993  0.53843758
   0.83809914  0.24893742  0.84488682
   0.62416016  0.33422833  0.52542481
   0.85659722  0.50023263  0.87780146
   0.98458815  0.42987164  0.66169678
   0.75466207  0.39155976  0.68990954
   0.77952226  0.07575276  0.96421751
   0.51000943  0.09074774  0.92875089
   0.56381485  0.52882736  0.03516957
   0.89229663  0.69970209  0.27533411
   0.54607002  0.79560214  0.04745415
   0.84543569  0.97271510  0.31050011
   0.92110431  0.88768201  0.14194176
   0.67896197  0.82958141  0.20609010
   0.83229296  0.70027059  0.45209431
   0.58584852  0.60006186  0.38790628
   0.65285197  0.58501915  0.57440969
   0.82405455  0.74515039  0.80233209
   0.60379256  0.82624953  0.48431521
   0.94096880  0.99467769  0.83764964
   0.97731547  0.84654866  0.67343516
   0.74115931  0.99423878  0.71618558
   0.76021763  0.70490616  0.97554608
   0.52955176  0.66418778  0.87958302
   0.73728195  0.81764158  0.62879655
   0.25099174  0.88836262  0.46562020
   0.88780484  0.25262468  0.05188451
   0.94366326  0.28699288  0.39996424
   0.34533232  0.11453689  0.61826769
   0.26616929  0.75841155  0.72808742
   0.20982361  1.09145293  0.16765727
   0.26576900  1.13150394  0.05096857
   0.64645255  0.39129439  0.85836750
   0.87109862  0.48638534  0.61426938
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888061    0.156190   -0.165934
    -0.000000    9.981074    0.189371
    -0.000000    0.000000   13.814719
   Si   O    H 
    32    64    10
Direct configuration=  2886
   0.19125607  0.22188907 -0.02250627
   0.35712284  0.09252913  0.38272987
   0.16408189  0.43597673  0.12118546
   0.40856282  0.33983944  0.25210167
   0.08114707  0.12618137  0.48908114
   0.40705611  0.12693596  0.84447549
   0.10551761  0.35040141  0.61616542
   0.37883776  0.37878023  0.74260104
   0.14284859  0.69431728  0.00540179
   0.42579165  0.58881536  0.36645838
   0.08412737  0.91409569  0.13437629
   0.33288021  0.83913813  0.25863837
   0.16583867  0.58261453  0.47803826
   0.37201161  0.62935427  0.85932701
   0.09062940  0.84093578  0.59110328
   0.36823768  0.98068347  0.67322341
   0.63555311  0.12517003  0.99945129
   0.81766289  0.12562320  0.32998683
   0.63476507  0.40961160  0.10502443
   0.89711925  0.30846196  0.15206613
   0.61639251  0.18138636  0.48422008
   0.90550715  0.12468747  0.89937948
   0.61699093  0.43920149  0.61621630
   0.76718095  0.38715192  0.80694494
   0.60362155  0.67772138 -0.01459941
   0.89680710  0.59552786  0.37023523
   0.57587064  0.90240232  0.13071390
   0.83735450  0.84184342  0.23918579
   0.66710006  0.68807611  0.47074288
   0.86965748  0.65652398  0.89470967
   0.66090511  0.93242833  0.61639991
   0.87042555  0.88935834  0.75859314
   0.11455716  0.06489554  0.14951533
   0.36626628  0.18498481  0.28717838
   0.18454686  0.36848451  0.01554299
   0.39797144  0.43530474  0.34748612
   0.54229742  0.35088147  0.18991923
   0.29237428  0.41329680  0.18553675
   0.21923505  0.15157284  0.42967892
  -0.05012480  0.17433027  0.39995035
   0.04486486 -0.03238861  0.52354107
   0.47276489  0.25208096  0.77714320
   0.07226270  0.20739865  0.58570706
   0.35434846  0.46415985  0.83808638
   0.47369667  0.46161757  0.67220786
   0.23383916  0.35181692  0.68924275
   0.28007129  0.21104782 -0.11816313
   0.04063712  0.16128879  0.95342185
   0.13651418  0.59907948  0.09736120
   0.38875631  0.68488350  0.26583540
   0.14999065  0.85193445  0.03674739
   0.35496140  0.93165956  0.35674818
   0.41978700  0.90828813  0.17638321
   0.16885876  0.84300663  0.23349709
   0.31852022  0.62769597  0.45011084
   0.05658087  0.60501138  0.39039037
   0.16383341  0.42643360  0.51198469
   0.29451423  0.68763697  0.76015100
   0.12808668  0.69195249  0.55716638
   0.35570093  1.00234236  0.78128768
   0.50685482  0.89882248  0.65594601
   0.23985204  0.88754337  0.63684769
   0.29330872  0.67743497 -0.04889555
   0.02206119  0.68857796  0.92528028
   0.60988149  0.04650853  0.10534250
   0.84115946  0.20434956  0.23412567
   0.64474457  0.29873842  0.01776846
   0.85560701  0.44022722  0.38042365
   0.04331646  0.36708255  0.18701292
   0.79125040  0.44512956  0.14012783
   0.68025474  0.18245483  0.37915916
   0.45941931  0.12896194  0.46966417
   0.69666503  0.06440449  0.53852731
   0.83877428  0.25004859  0.84517563
   0.62471430  0.33712643  0.52549522
   0.85552709  0.49926182  0.87729063
   0.98821160  0.42846752  0.66258940
   0.75057618  0.39301466  0.68943440
   0.78094677  0.07540875  0.96364234
   0.51386781  0.08955007  0.92831822
   0.56419855  0.52946842  0.03530344
   0.89219889  0.69983481  0.27592694
   0.54638670  0.79445650  0.04737859
   0.84636006  0.97298377  0.30973351
   0.92247904  0.88826519  0.14227503
   0.67837303  0.82846801  0.20671180
   0.83307077  0.69896877  0.45174134
   0.59010169  0.59994030  0.38658938
   0.65316170  0.58594597  0.57453922
   0.82533377  0.74464806  0.80223375
   0.60587999  0.82641729  0.48411450
   0.94194160  0.99389356  0.83838894
   0.97812151  0.84702685  0.67325395
   0.74240850  0.99557753  0.71564944
   0.75896506  0.70532409  0.97529196
   0.53026310  0.66619670  0.87909958
   0.74054479  0.82514062  0.62874958
   0.24226102  0.87386078  0.46164897
   0.89181025  0.25830130  0.05528182
   0.94352961  0.28820145  0.40393480
   0.34815130  0.10701820  0.62076191
   0.26343151  0.76586478  0.71745194
   0.20604602  1.09047545  0.16743448
   0.25986553  1.13291703  0.05136900
   0.64584563  0.39580466  0.85584161
   0.84326545  0.50065128  0.60377117
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887673    0.157711   -0.164304
    -0.000000    9.980714    0.188539
    -0.000000    0.000000   13.816233
   Si   O    H 
    32    64    10
Direct configuration=  2887
   0.19139546  0.22168715 -0.02241764
   0.35871351  0.09153006  0.38342827
   0.16480639  0.43565943  0.12156086
   0.40866652  0.33968479  0.25227541
   0.08155341  0.12514163  0.48926970
   0.40912053  0.12626757  0.84407640
   0.10558203  0.35071872  0.61611102
   0.37948677  0.37816711  0.74163937
   0.14340149  0.69474663  0.00484900
   0.42584062  0.58751775  0.36727279
   0.08421227  0.91317063  0.13458743
   0.33381404  0.83931590  0.25926740
   0.16650038  0.58353891  0.47847278
   0.37174994  0.62863255  0.85886074
   0.09096721  0.84199428  0.59183244
   0.36806155  0.98013416  0.67262426
   0.63415086  0.12493329  0.99922138
   0.81794094  0.12605080  0.32994747
   0.63456244  0.40938488  0.10613536
   0.89803969  0.30806166  0.15211704
   0.61569246  0.18121102  0.48482165
   0.90595628  0.12580290  0.89892183
   0.61851014  0.43857754  0.61879830
   0.76645518  0.38636596  0.80635636
   0.60456958  0.67904339 -0.01499368
   0.89679485  0.59518174  0.36985506
   0.57489393  0.90172721  0.13174432
   0.83849881  0.84098175  0.23759904
   0.66795594  0.68897788  0.47163917
   0.87026813  0.65723435  0.89432152
   0.66132098  0.93351430  0.61571774
   0.87063123  0.88982142  0.75729232
   0.11590388  0.06664921  0.14889126
   0.36537467  0.18551899  0.28554043
   0.18567063  0.36904613  0.01506604
   0.39834155  0.43526815  0.34781323
   0.54491956  0.34888627  0.18936874
   0.29378356  0.41405797  0.18685147
   0.21871357  0.15109155  0.42937063
  -0.05116248  0.17427816  0.40085468
   0.04509178 -0.03020851  0.52366036
   0.47300201  0.25244513  0.77799448
   0.07386264  0.20715496  0.58670024
   0.35233341  0.46525229  0.83800913
   0.47349737  0.46071425  0.67140702
   0.23459902  0.35195127  0.69100373
   0.27980037  0.21268756 -0.11844317
   0.04023029  0.16024598  0.95309434
   0.13753648  0.59950770  0.09696147
   0.39134380  0.68613770  0.26632948
   0.15046994  0.85009406  0.03767178
   0.35336553  0.93160205  0.35600668
   0.42097661  0.90804729  0.17527033
   0.17060816  0.84296576  0.23348733
   0.32028806  0.62691064  0.45115838
   0.05645586  0.60534284  0.39025990
   0.16399342  0.42619854  0.51341845
   0.29441815  0.68603018  0.76127392
   0.12645638  0.69198373  0.55815958
   0.35626550  1.00287568  0.78352914
   0.50858200  0.89880888  0.65671126
   0.24030211  0.88944738  0.63657655
   0.29146437  0.67633360 -0.04910614
   0.02177718  0.68919626  0.92508884
   0.61052385  0.04796903  0.10416788
   0.84092277  0.20460399  0.23238582
   0.64538015  0.29950443  0.01830939
   0.85500361  0.43874184  0.38231933
   0.04384913  0.36781028  0.18685495
   0.78996879  0.44559909  0.13980185
   0.67804540  0.18320336  0.37884677
   0.45986881  0.12911394  0.46854083
   0.69731363  0.06567135  0.53903393
   0.83887339  0.25081258  0.84502858
   0.62511827  0.33861604  0.52526253
   0.85476343  0.49892536  0.87640375
   0.99037235  0.42745442  0.66313806
   0.74658788  0.39486950  0.68864052
   0.78189179  0.07515180  0.96271303
   0.51728384  0.08852040  0.92804587
   0.56493529  0.53042583  0.03560716
   0.89202975  0.69894216  0.27636033
   0.54627483  0.79432669  0.04782007
   0.84633049  0.97255633  0.30964319
   0.92407568  0.88898241  0.14258476
   0.67744174  0.82666308  0.20775838
   0.83245127  0.69782856  0.45122999
   0.59395364  0.59950088  0.38509262
   0.65301460  0.58749141  0.57428662
   0.82561823  0.74355930  0.80213484
   0.60730433  0.82802243  0.48347585
   0.94301854  0.99327450  0.83847404
   0.97858413  0.84661960  0.67324853
   0.74367259  0.99659596  0.71547552
   0.75826358  0.70578398  0.97477910
   0.53072900  0.66809998  0.87852639
   0.75442183  0.82199433  0.62908313
   0.23648932  0.85882512  0.45651707
   0.89740545  0.26588798  0.05677897
   0.94289457  0.28560190  0.40605979
   0.34906923  0.10477215  0.62197586
   0.26532598  0.76918372  0.71022827
   0.20388499  1.08983469  0.16505162
   0.25688045  1.13337754  0.05035912
   0.63357251  0.40321170  0.85464082
   0.82959912  0.50511556  0.59632075
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886965    0.159903   -0.162892
    -0.000000    9.980515    0.187925
    -0.000000    0.000000   13.817815
   Si   O    H 
    32    64    10
Direct configuration=  2888
   0.19131782  0.22149337 -0.02278313
   0.35975137  0.09092217  0.38399849
   0.16518753  0.43533604  0.12121169
   0.40876014  0.33918516  0.25269420
   0.08172222  0.12340396  0.48961983
   0.41130347  0.12639610  0.84401933
   0.10639623  0.35156018  0.61592185
   0.37990299  0.37719835  0.74111307
   0.14420435  0.69469933  0.00458011
   0.42602669  0.58624456  0.36798981
   0.08431526  0.91226376  0.13504126
   0.33461240  0.83941141  0.25987685
   0.16639841  0.58404597  0.47859735
   0.37088752  0.62849348  0.85826997
   0.09172438  0.84325157  0.59254462
   0.36722723  0.97889339  0.67196846
   0.63315152  0.12586969  0.99926430
   0.81752032  0.12713046  0.32951219
   0.63399699  0.40930771  0.10630789
   0.89917860  0.30840312  0.15229259
   0.61406752  0.18138978  0.48499631
   0.90624202  0.12725568  0.89845960
   0.61960620  0.43786586  0.62042213
   0.76598871  0.38644933  0.80602150
   0.60538941  0.68012971 -0.01512303
   0.89650837  0.59505109  0.36943054
   0.57393638  0.90057797  0.13289483
   0.83882945  0.84071493  0.23583006
   0.66932822  0.68911979  0.47259565
   0.87027754  0.65795468  0.89417342
   0.66219298  0.93452008  0.61550346
   0.87141983  0.89014965  0.75600289
   0.11601244  0.06827875  0.14828018
   0.36442918  0.18664670  0.28392738
   0.18615973  0.36979251  0.01497801
   0.39932872  0.43471820  0.34762252
   0.54767762  0.34693117  0.18933841
   0.29610146  0.41389812  0.18779959
   0.21790840  0.14990136  0.42894439
  -0.05177421  0.17434313  0.40128073
   0.04524466 -0.02763611  0.52286841
   0.47295138  0.25172609  0.77858531
   0.07480821  0.20570242  0.58644578
   0.35066905  0.46635756  0.83721823
   0.47363597  0.45927259  0.67105598
   0.23520533  0.35097747  0.69280342
   0.27952154  0.21444769 -0.11857261
   0.04048243  0.16015297  0.95274928
   0.13817989  0.59928592  0.09631325
   0.39365938  0.68655883  0.26719429
   0.15091731  0.84892933  0.03833685
   0.35248481  0.93122976  0.35550262
   0.42182750  0.90811252  0.17417128
   0.17265838  0.84294684  0.23291857
   0.32192360  0.62698322  0.45188017
   0.05763584  0.60627283  0.39010857
   0.16453648  0.42566210  0.51425743
   0.29428835  0.68514678  0.76182195
   0.12511809  0.69188616  0.55962274
   0.35742356  1.00410640  0.78619122
   0.51086910  0.89952661  0.65756345
   0.24143744  0.89101422  0.63608132
   0.28932467  0.67528523 -0.04867118
   0.02210937  0.68973552  0.92530864
   0.61134584  0.04982231  0.10302950
   0.84127439  0.20514880  0.22994725
   0.64520423  0.29943603  0.01881344
   0.85498737  0.43776419  0.38370091
   0.04429302  0.36867411  0.18679659
   0.78894304  0.44583192  0.13975546
   0.67569014  0.18270972  0.37821828
   0.46115138  0.12866632  0.46820140
   0.69761766  0.06706581  0.54020823
   0.83951012  0.25126872  0.84508897
   0.62572266  0.33964080  0.52545481
   0.85354193  0.49801509  0.87587695
   0.99243800  0.42784846  0.66396725
   0.74249476  0.39626469  0.68827960
   0.78190508  0.07481094  0.96282233
   0.52000157  0.08749407  0.92786383
   0.56609117  0.53198923  0.03603066
   0.89053481  0.69747135  0.27642893
   0.54543427  0.79549769  0.04827670
   0.84614638  0.97139559  0.30972833
   0.92509423  0.88927451  0.14219759
   0.67684763  0.82467374  0.20883917
   0.83143689  0.69624184  0.45103175
   0.59668194  0.59871400  0.38416351
   0.65343281  0.58861866  0.57379000
   0.82639712  0.74219465  0.80173404
   0.60899989  0.83002516  0.48360540
   0.94374099  0.99163649  0.83843087
   0.97819217  0.84595570  0.67335000
   0.74475944  0.99762943  0.71509070
   0.75733484  0.70679864  0.97440425
   0.53164409  0.66989010  0.87776468
   0.76574618  0.81751108  0.62948525
   0.23452494  0.84204373  0.45238713
   0.90403853  0.27098976  0.05396247
   0.93682693  0.28588111  0.40669839
   0.35170442  0.10636130  0.62288430
   0.27293217  0.76408010  0.71138258
   0.20790526  1.09261503  0.16132869
   0.25750371  1.13404357  0.04740573
   0.62305744  0.40896832  0.84953946
   0.81938936  0.50549486  0.58691793
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886106    0.162528   -0.161270
    -0.000000    9.980614    0.187244
    -0.000000    0.000000   13.819152
   Si   O    H 
    32    64    10
Direct configuration=  2889
   0.19115604  0.22110192 -0.02313237
   0.36008755  0.09060007  0.38458253
   0.16521787  0.43547634  0.12056178
   0.40922880  0.33857907  0.25308191
   0.08193277  0.12192646  0.48992571
   0.41332680  0.12677632  0.84399233
   0.10760405  0.35292006  0.61573635
   0.37994531  0.37620677  0.74071945
   0.14479809  0.69454772  0.00407837
   0.42638185  0.58467929  0.36854259
   0.08485328  0.91148070  0.13562365
   0.33479895  0.83960877  0.26022879
   0.16586922  0.58412882  0.47845841
   0.36997111  0.62853826  0.85755306
   0.09337094  0.84403388  0.59323341
   0.36645042  0.97751957  0.67153833
   0.63257896  0.12735700  0.99961775
   0.81729748  0.12777947  0.32935483
   0.63386729  0.40949020  0.10579139
   0.90067164  0.30936394  0.15268599
   0.61262029  0.18161919  0.48514536
   0.90590215  0.12806060  0.89800682
   0.62030650  0.43782567  0.62152950
   0.76510709  0.38672250  0.80647570
   0.60607961  0.68053716 -0.01553319
   0.89635249  0.59500860  0.36912123
   0.57262022  0.89894260  0.13411674
   0.83885409  0.84051381  0.23387116
   0.67029727  0.68915660  0.47333132
   0.87031895  0.65839737  0.89364131
   0.66301231  0.93620815  0.61482600
   0.87244348  0.89055690  0.75499275
   0.11589157  0.06974508  0.14726913
   0.36448927  0.18776130  0.28296032
   0.18731149  0.37049766  0.01428164
   0.39963413  0.43427903  0.34762808
   0.54986950  0.34543430  0.18918440
   0.29792509  0.41422451  0.18888996
   0.21680576  0.14825761  0.42897287
  -0.05143413  0.17438976  0.40205536
   0.04555842 -0.02559367  0.52191457
   0.47261644  0.25069714  0.77896121
   0.07566942  0.20365809  0.58647774
   0.34937594  0.46705614  0.83686127
   0.47406545  0.45749834  0.66990001
   0.23561531  0.34996742  0.69358320
   0.27965908  0.21584611 -0.11877278
   0.04099761  0.16049009  0.95284280
   0.13868290  0.59830490  0.09639352
   0.39540355  0.68717396  0.26821063
   0.15142213  0.84851123  0.03978969
   0.35220584  0.93179042  0.35503620
   0.42297609  0.90794075  0.17324338
   0.17400593  0.84242786  0.23245041
   0.32448292  0.62731850  0.45212450
   0.05937604  0.60712271  0.39024928
   0.16580887  0.42539851  0.51541568
   0.29302883  0.68496471  0.76206071
   0.12301674  0.69172489  0.56084201
   0.35874947  1.00472165  0.78937921
   0.51271226  0.90117640  0.65787817
   0.24237022  0.89223477  0.63572612
   0.28773009  0.67332598 -0.04817311
   0.02273173  0.69036151  0.92531320
   0.61192658  0.05099833  0.10173267
   0.84154550  0.20627073  0.22745239
   0.64574760  0.29769900  0.01885684
   0.85511151  0.43635659  0.38473261
   0.04455482  0.36935487  0.18660507
   0.78818571  0.44573113  0.13993795
   0.67407637  0.18189628  0.37718587
   0.46269323  0.12812599  0.46809424
   0.69752822  0.06830170  0.54192271
   0.83979612  0.25302363  0.84470586
   0.62639558  0.33979402  0.52532764
   0.85298819  0.49692125  0.87543507
   0.99471954  0.42830683  0.66447782
   0.73921871  0.39720894  0.68887644
   0.78217374  0.07473279  0.96321886
   0.52215388  0.08662146  0.92772370
   0.56682691  0.53304767  0.03649596
   0.88872644  0.69592599  0.27679389
   0.54469604  0.79663717  0.04922268
   0.84655423  0.97048017  0.31035266
   0.92666243  0.88915347  0.14157128
   0.67602262  0.82348705  0.20998562
   0.83039434  0.69561285  0.45152201
   0.59846101  0.59855805  0.38326752
   0.65489788  0.58939354  0.57306649
   0.82737411  0.74089916  0.80042746
   0.61056155  0.83184190  0.48356884
   0.94436052  0.98984197  0.83813527
   0.97772545  0.84557545  0.67448331
   0.74584753  0.99771563  0.71476976
   0.75741414  0.70746042  0.97449899
   0.53248873  0.67129904  0.87716313
   0.77059359  0.81329907  0.62757442
   0.23203774  0.82790476  0.44824611
   0.91083553  0.27397111  0.04987342
   0.93094811  0.28506815  0.40705208
   0.35375813  0.11284085  0.62146256
   0.28284579  0.75220526  0.71970132
   0.21433022  1.09479069  0.15753390
   0.25901452  1.13451126  0.04733952
   0.61567216  0.41262575  0.84424073
   0.81574881  0.50664412  0.57755886
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885118    0.164677   -0.159713
    -0.000000    9.980232    0.187280
    -0.000000    0.000000   13.820482
   Si   O    H 
    32    64    10
Direct configuration=  2890
   0.19110630  0.22114197 -0.02336673
   0.35956434  0.09098707  0.38518614
   0.16464122  0.43540357  0.12065420
   0.40971061  0.33697102  0.25296351
   0.08190232  0.12008270  0.49019812
   0.41525653  0.12764507  0.84416476
   0.10914885  0.35451366  0.61593849
   0.37984032  0.37572235  0.74073367
   0.14515603  0.69478439  0.00323631
   0.42747880  0.58404590  0.36868041
   0.08511794  0.91028612  0.13590629
   0.33460655  0.84000307  0.26085637
   0.16584104  0.58480427  0.47792010
   0.36923274  0.62849450  0.85694823
   0.09519481  0.84507505  0.59337095
   0.36610495  0.97620628  0.67069205
   0.63299763  0.12932953  1.00023657
   0.81734612  0.12841939  0.32919629
   0.63377540  0.41019296  0.10522414
   0.90234923  0.31044116  0.15309167
   0.61145270  0.18286208  0.48575904
   0.90557049  0.12860711  0.89750840
   0.62049706  0.43797502  0.62202295
   0.76415571  0.38743238  0.80708716
   0.60670880  0.68041613 -0.01581922
   0.89673902  0.59504465  0.36893935
   0.57110944  0.89746500  0.13519808
   0.83928275  0.84066650  0.23183150
   0.67102471  0.68860971  0.47388299
   0.86933690  0.65801462  0.89285271
   0.66364769  0.93692521  0.61439873
   0.87364337  0.89126530  0.75393986
   0.11491162  0.07107445  0.14673736
   0.36422031  0.18980008  0.28239186
   0.18812439  0.37140739  0.01415089
   0.40018197  0.43316625  0.34775693
   0.55125863  0.34375676  0.18923706
   0.29946049  0.41461878  0.18891315
   0.21588980  0.14678545  0.42891463
  -0.05144660  0.17528629  0.40357371
   0.04594146 -0.02363788  0.52074714
   0.47166358  0.24989377  0.77941316
   0.07648388  0.20149377  0.58638098
   0.34869631  0.46725177  0.83715899
   0.47494375  0.45581315  0.66931956
   0.23585784  0.34843758  0.69391263
   0.27928820  0.21675352 -0.11906922
   0.04146193  0.16097540  0.95333399
   0.13906484  0.59749837  0.09665107
   0.39732089  0.68689538  0.26957867
   0.15153794  0.84797913  0.04103773
   0.35210191  0.93308369  0.35495285
   0.42348966  0.90740681  0.17274929
   0.17453432  0.84224730  0.23181727
   0.32630668  0.62786177  0.45285219
   0.06070606  0.60854192  0.39079155
   0.16660830  0.42552240  0.51663611
   0.29211681  0.68343288  0.76299705
   0.12121322  0.69108533  0.56228783
   0.36041009  1.00497205  0.79174001
   0.51355534  0.90268438  0.65853409
   0.24250840  0.89291946  0.63524083
   0.28681993  0.67196150 -0.04780711
   0.02314251  0.69220183  0.92542164
   0.61320914  0.05234368  0.10023819
   0.84216292  0.20750439  0.22498798
   0.64693057  0.29499394  0.01869947
   0.85616637  0.43475489  0.38602606
   0.04468727  0.37074117  0.18643749
   0.78763518  0.44523485  0.13986665
   0.67330039  0.18083040  0.37578252
   0.46373283  0.12797511  0.46829495
   0.69765048  0.06819442  0.54331990
   0.84015698  0.25503286  0.84403080
   0.62707043  0.33945486  0.52541537
   0.85251003  0.49644833  0.87429562
   0.99521372  0.42903721  0.66553554
   0.73625614  0.39773827  0.68990603
   0.78148894  0.07486037  0.96393718
   0.52357083  0.08615340  0.92723753
   0.56719267  0.53421542  0.03740910
   0.88684305  0.69382414  0.27676866
   0.54371729  0.79811286  0.05017237
   0.84622913  0.97009316  0.31120400
   0.92795110  0.88915361  0.14091314
   0.67575881  0.82284452  0.21119460
   0.82919725  0.69499340  0.45230716
   0.59898585  0.59803656  0.38250994
   0.65674145  0.58984635  0.57212096
   0.82786521  0.74045176  0.79953319
   0.61144087  0.83364514  0.48419819
   0.94430161  0.98835993  0.83723314
   0.97813659  0.84568016  0.67596342
   0.74726314  0.99768901  0.71477438
   0.75849916  0.70805831  0.97458343
   0.53292752  0.67216179  0.87674358
   0.76777010  0.81023705  0.62414055
   0.23000959  0.81675993  0.44526427
   0.91576466  0.27408326  0.04631614
   0.92596888  0.28724768  0.40826346
   0.35428700  0.11822046  0.62017220
   0.28950605  0.75854064  0.71698262
   0.21284929  1.09249438  0.15601202
   0.26382012  1.13459091  0.04851256
   0.61660474  0.41353507  0.83909800
   0.81264572  0.50914380  0.56805184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884306    0.167738   -0.157955
    -0.000000    9.979661    0.187016
    -0.000000    0.000000   13.822245
   Si   O    H 
    32    64    10
Direct configuration=  2891
   0.19129625  0.22136368 -0.02359315
   0.35839797  0.09085423  0.38594640
   0.16452635  0.43573991  0.12072656
   0.41079603  0.33543020  0.25294928
   0.08121453  0.11807645  0.49003262
   0.41695888  0.12854893  0.84423641
   0.11013647  0.35648268  0.61593264
   0.37982218  0.37518584  0.74072312
   0.14578937  0.69489361  0.00232401
   0.42834373  0.58376832  0.36849566
   0.08549486  0.90869633  0.13635157
   0.33375395  0.84044704  0.26136197
   0.16567605  0.58549363  0.47716286
   0.36883242  0.62781691  0.85660987
   0.09700671  0.84618858  0.59332197
   0.36641241  0.97569774  0.67006572
   0.63455722  0.13127161  1.00136512
   0.81761179  0.12816582  0.32921614
   0.63350858  0.41085637  0.10423807
   0.90388339  0.31145824  0.15311284
   0.61065143  0.18415401  0.48606127
   0.90484018  0.12901253  0.89723137
   0.62076397  0.43808610  0.62214288
   0.76288382  0.38768905  0.80770448
   0.60709225  0.67978401 -0.01593025
   0.89742378  0.59505683  0.36935478
   0.56959972  0.89667762  0.13600759
   0.83930510  0.84108164  0.23000325
   0.67132513  0.68761576  0.47428126
   0.86839919  0.65700163  0.89259947
   0.66459150  0.93735150  0.61393464
   0.87485587  0.89236691  0.75307980
   0.11468272  0.07321696  0.14626797
   0.36472584  0.19082479  0.28171621
   0.18918107  0.37241061  0.01434064
   0.40099643  0.43173726  0.34770820
   0.55244628  0.34174224  0.18952348
   0.30029812  0.41457329  0.18836667
   0.21498967  0.14527700  0.42895052
  -0.05073812  0.17593452  0.40523276
   0.04695377 -0.02268549  0.51995369
   0.47084768  0.24890779  0.77991533
   0.07758332  0.19895504  0.58633549
   0.34904188  0.46784694  0.83746941
   0.47587023  0.45483134  0.66863802
   0.23608371  0.34810045  0.69456585
   0.27957716  0.21721311 -0.11956144
   0.04109865  0.16208360  0.95338431
   0.13913850  0.59635367  0.09736774
   0.39837146  0.68684599  0.27173947
   0.15110450  0.84717200  0.04151150
   0.35177323  0.93461404  0.35482541
   0.42378140  0.90746983  0.17249560
   0.17500506  0.84171290  0.23116969
   0.32763827  0.62843372  0.45361542
   0.06223296  0.60880514  0.39120542
   0.16792340  0.42565643  0.51793741
   0.29152025  0.68290770  0.76362283
   0.11955266  0.68998330  0.56317429
   0.36154972  1.00452961  0.79345409
   0.51437676  0.90398307  0.66005287
   0.24326114  0.89345592  0.63477830
   0.28555386  0.67092799 -0.04736435
   0.02379220  0.69398367  0.92553235
   0.61423875  0.05383751  0.09943734
   0.84188914  0.20803037  0.22315025
   0.64813696  0.29259819  0.01893929
   0.85770792  0.43414319  0.38716335
   0.04575754  0.37174868  0.18688114
   0.78758751  0.44419819  0.14014034
   0.67334443  0.17987899  0.37432951
   0.46458419  0.12735707  0.46825357
   0.69753428  0.06795158  0.54507754
   0.84064661  0.25605299  0.84326089
   0.62665464  0.33863372  0.52642224
   0.85134210  0.49495313  0.87292293
   0.99523391  0.43041445  0.66675821
   0.73398311  0.39688931  0.69182540
   0.78124093  0.07556996  0.96443778
   0.52434897  0.08430854  0.92636805
   0.56749185  0.53556061  0.03853926
   0.88512631  0.69232206  0.27637836
   0.54296827  0.79924427  0.05045795
   0.84580149  0.96905104  0.31250907
   0.92785791  0.88871928  0.14014394
   0.67581447  0.82154862  0.21257540
   0.82912278  0.69448865  0.45299090
   0.59958619  0.59793976  0.38187586
   0.65840181  0.59050782  0.57128382
   0.82824511  0.74123035  0.79796783
   0.61064412  0.83535203  0.48459353
   0.94430343  0.98718517  0.83700503
   0.97847217  0.84653694  0.67687874
   0.74858490  0.99720376  0.71493649
   0.76063985  0.70900326  0.97462269
   0.53275911  0.67337145  0.87674746
   0.75858283  0.80700826  0.61898219
   0.22502354  0.80588739  0.44271329
   0.92016797  0.27423369  0.04762202
   0.91884354  0.29168137  0.40873483
   0.35662732  0.12079107  0.62017663
   0.29723931  0.76060438  0.71744774
   0.20384556  1.08498503  0.15404702
   0.26876889  1.13284601  0.04988060
   0.62058248  0.41008521  0.83608323
   0.80766983  0.51393371  0.55917242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883678    0.170156   -0.156569
    -0.000000    9.978982    0.186420
    -0.000000    0.000000   13.823915
   Si   O    H 
    32    64    10
Direct configuration=  2892
   0.19202524  0.22119503 -0.02348388
   0.35698643  0.09085811  0.38652646
   0.16399077  0.43692617  0.12058926
   0.41147864  0.33420231  0.25322693
   0.08069517  0.11721400  0.48967613
   0.41853194  0.12947006  0.84468606
   0.11115826  0.35791640  0.61587804
   0.37939231  0.37451614  0.74073911
   0.14671468  0.69468003  0.00152279
   0.42950470  0.58403051  0.36820607
   0.08633510  0.90702099  0.13705233
   0.33286246  0.84114691  0.26195340
   0.16563193  0.58571372  0.47659513
   0.36911808  0.62642065  0.85653491
   0.09828627  0.84756678  0.59296006
   0.36691576  0.97547390  0.66950390
   0.63632499  0.13323692  1.00238364
   0.81851377  0.12748748  0.32912716
   0.63323681  0.41195120  0.10265033
   0.90550301  0.31280018  0.15279373
   0.61064556  0.18495629  0.48612459
   0.90346177  0.12908982  0.89694167
   0.62082679  0.43888956  0.62183775
   0.76145285  0.38838026  0.80831398
   0.60704514  0.67959158 -0.01570770
   0.89829030  0.59536974  0.37019147
   0.56831646  0.89611096  0.13671398
   0.83951503  0.84093202  0.22898110
   0.67229860  0.68624567  0.47466547
   0.86801670  0.65623693  0.89236723
   0.66591156  0.93736265  0.61367568
   0.87555655  0.89335092  0.75224304
   0.11359969  0.07498345  0.14502440
   0.36600554  0.19082207  0.28185317
   0.19022095  0.37227784  0.01545070
   0.40197823  0.42987699  0.34757102
   0.55393011  0.34028959  0.19039074
   0.30006469  0.41443145  0.18751519
   0.21393429  0.14393864  0.42832716
  -0.05066461  0.17659832  0.40695907
   0.04795902 -0.02298437  0.52028079
   0.47057256  0.24818861  0.77996645
   0.07742967  0.19690258  0.58701715
   0.34951438  0.46868904  0.83738241
   0.47645288  0.45329317  0.66778628
   0.23670315  0.34682514  0.69516433
   0.28029414  0.21668968 -0.12027031
   0.04057420  0.16321528  0.95338517
   0.13827945  0.59614046  0.09804046
   0.39975628  0.68652222  0.27391837
   0.15013479  0.84623368  0.04266533
   0.35182596  0.93637132  0.35516556
   0.42326573  0.90829167  0.17247583
   0.17523375  0.84170435  0.22993950
   0.32842749  0.62873552  0.45412298
   0.06327437  0.60900803  0.39115204
   0.16994131  0.42585466  0.51893145
   0.29050863  0.68207865  0.76362921
   0.11857856  0.68901851  0.56431753
   0.36117253  1.00401706  0.79471987
   0.51480882  0.90523336  0.66126708
   0.24400665  0.89385667  0.63402197
   0.28469623  0.67012319 -0.04718450
   0.02368504  0.69539529  0.92580180
   0.61476042  0.05437792  0.09889963
   0.84103343  0.20812741  0.22169980
   0.64954073  0.29007345  0.01949983
   0.85884310  0.43373760  0.38814797
   0.04606940  0.37327609  0.18746203
   0.78791631  0.44380551  0.14054714
   0.67329685  0.17879871  0.37322320
   0.46432553  0.12628290  0.46837879
   0.69719061  0.06821431  0.54694664
   0.84045409  0.25630751  0.84245169
   0.62663464  0.33713992  0.52743801
   0.85062069  0.49389626  0.87132501
   0.99544918  0.43228300  0.66751749
   0.73229909  0.39550973  0.69390737
   0.78120222  0.07599596  0.96501333
   0.52470334  0.08242193  0.92587876
   0.56744024  0.53686816  0.04002117
   0.88357646  0.69100603  0.27517119
   0.54338689  0.80001838  0.05008476
   0.84522980  0.96751014  0.31364934
   0.92760200  0.88836684  0.13973374
   0.67658424  0.82162135  0.21367649
   0.82955667  0.69419901  0.45379597
   0.59921952  0.59790093  0.38132626
   0.66003441  0.59080752  0.57136552
   0.82903510  0.74210337  0.79645239
   0.61004411  0.83673873  0.48482658
   0.94468922  0.98603814  0.83719096
   0.97996509  0.84735271  0.67752934
   0.75044599  0.99718583  0.71501864
   0.76326163  0.70993759  0.97465731
   0.53188607  0.67406254  0.87645080
   0.74614728  0.80858903  0.61288555
   0.21698326  0.79584832  0.44411233
   0.92192988  0.27768474  0.05156281
   0.91559226  0.29723503  0.40987074
   0.36318876  0.11400424  0.62128283
   0.30547704  0.75634300  0.72099645
   0.21478247  1.08280309  0.15432434
   0.27235065  1.13257258  0.04971843
   0.62506699  0.40509282  0.83472759
   0.80136786  0.51990376  0.55126474
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883435    0.172832   -0.155066
    -0.000000    9.978427    0.185841
    -0.000000    0.000000   13.825615
   Si   O    H 
    32    64    10
Direct configuration=  2893
   0.19268292  0.22089576 -0.02326830
   0.35555840  0.09090237  0.38633321
   0.16383345  0.43854284  0.12061571
   0.41216885  0.33320021  0.25364500
   0.07944284  0.11686155  0.48907008
   0.41891774  0.13017922  0.84534532
   0.11209617  0.35910340  0.61531776
   0.37905903  0.37419153  0.74113400
   0.14821387  0.69383167  0.00088852
   0.43047255  0.58405287  0.36768035
   0.08797215  0.90580570  0.13758335
   0.33295038  0.84177566  0.26238696
   0.16555514  0.58621632  0.47597971
   0.36957835  0.62589196  0.85650026
   0.09921389  0.84873721  0.59261498
   0.36788654  0.97565818  0.66896639
   0.63856703  0.13480251  1.00360456
   0.81918817  0.12723113  0.32863479
   0.63306553  0.41224910  0.10087731
   0.90683387  0.31452928  0.15222081
   0.61113946  0.18586425  0.48604109
   0.90240627  0.12887747  0.89666048
   0.62105821  0.43953428  0.62104706
   0.76039004  0.38864603  0.80873334
   0.60704445  0.67975349 -0.01530747
   0.89891679  0.59563434  0.37115973
   0.56818941  0.89549902  0.13686725
   0.83933369  0.84056935  0.22859662
   0.67391856  0.68516165  0.47513515
   0.86788842  0.65520893  0.89182939
   0.66759701  0.93685095  0.61390627
   0.87627242  0.89459259  0.75127927
   0.11291415  0.07623787  0.14403938
   0.36705814  0.18947233  0.28219924
   0.19188249  0.37204265  0.01607057
   0.40348591  0.42726566  0.34750784
   0.55520758  0.33954190  0.19123457
   0.29967575  0.41435975  0.18608468
   0.21297458  0.14156263  0.42778095
  -0.05051434  0.17742726  0.40843803
   0.04883459 -0.02480705  0.52013760
   0.47115145  0.24864776  0.77916803
   0.07693450  0.19617243  0.58792273
   0.35049097  0.46956715  0.83691175
   0.47670214  0.45217097  0.66663244
   0.23791861  0.34491245  0.69575650
   0.28117666  0.21561622 -0.12079464
   0.03997403  0.16373875  0.95307016
   0.13788368  0.59638423  0.09848643
   0.40012850  0.68608951  0.27578270
   0.14922478  0.84613295  0.04441831
   0.35181955  0.93881851  0.35587455
   0.42211573  0.90932642  0.17298402
   0.17486318  0.84050641  0.22866951
   0.32859455  0.62862118  0.45474237
   0.06466014  0.60979437  0.39146742
   0.17194416  0.42623884  0.51950464
   0.29005543  0.68222201  0.76360263
   0.11787928  0.68790288  0.56475189
   0.36132724  1.00272751  0.79513337
   0.51500928  0.90588406  0.66213381
   0.24460527  0.89375653  0.63312085
   0.28465951  0.66976824 -0.04744101
   0.02385091  0.69644285  0.92565299
   0.61496706  0.05419632  0.09954406
   0.83941608  0.20731548  0.22103347
   0.65024631  0.28812309  0.02033689
   0.85961484  0.43333633  0.38910677
   0.04681905  0.37404591  0.18779101
   0.78841316  0.44312569  0.14052382
   0.67306655  0.17808511  0.37265635
   0.46395039  0.12528298  0.46842982
   0.69669614  0.06793198  0.54822784
   0.84094278  0.25613083  0.84143523
   0.62712270  0.33467793  0.52874253
   0.84885267  0.49388455  0.86988293
   0.99526180  0.43405292  0.66786746
   0.73087876  0.39371073  0.69595562
   0.78120012  0.07662881  0.96532576
   0.52502352  0.08050683  0.92575986
   0.56769080  0.53832474  0.04196704
   0.88231579  0.68972198  0.27363433
   0.54392449  0.79991878  0.04918832
   0.84510148  0.96658472  0.31372143
   0.92698296  0.88785894  0.13915679
   0.67643450  0.82172897  0.21397894
   0.83027336  0.69410934  0.45497876
   0.59856850  0.59822674  0.38130687
   0.66101908  0.59005523  0.57196518
   0.83012958  0.74312791  0.79473734
   0.60931282  0.83831476  0.48518133
   0.94440879  0.98475025  0.83759086
   0.98229786  0.84761305  0.67695747
   0.75212298  0.99677070  0.71516375
   0.76600252  0.71038443  0.97426934
   0.53071425  0.67474467  0.87614376
   0.73458240  0.80938293  0.60947513
   0.20825827  0.78678837  0.44643939
   0.92504918  0.28085438  0.05732565
   0.91464089  0.30544306  0.41005750
   0.36973587  0.10464864  0.62216003
   0.31213024  0.75143037  0.72570005
   0.21960934  1.08487272  0.15401842
   0.27388285  1.13797749  0.04970762
   0.62410826  0.39952159  0.83744721
   0.79549754  0.52484897  0.54688161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883212    0.175659   -0.153458
    -0.000000    9.977595    0.185174
    -0.000000    0.000000   13.827646
   Si   O    H 
    32    64    10
Direct configuration=  2894
   0.19414067  0.21993618 -0.02338586
   0.35450007  0.09131728  0.38551172
   0.16400656  0.44004027  0.12053240
   0.41269378  0.33309909  0.25394942
   0.07816190  0.11724228  0.48833841
   0.41909296  0.13088334  0.84609532
   0.11299836  0.36065751  0.61469141
   0.37834890  0.37434758  0.74140994
   0.14945538  0.69289251  0.00036133
   0.43170259  0.58430110  0.36727576
   0.08940724  0.90450125  0.13852864
   0.33231698  0.84265109  0.26274421
   0.16598838  0.58662044  0.47597356
   0.37044597  0.62575769  0.85694848
   0.09968862  0.84942761  0.59243532
   0.36915084  0.97645180  0.66889662
   0.64101345  0.13645771  1.00536934
   0.81999149  0.12717167  0.32794837
   0.63328960  0.41195976  0.09963670
   0.90768699  0.31628228  0.15149612
   0.61169728  0.18686701  0.48586608
   0.90229979  0.12842643  0.89672747
   0.62144981  0.43988904  0.62002966
   0.75997307  0.38859792  0.80960965
   0.60651633  0.68040550 -0.01455328
   0.89953499  0.59527079  0.37205155
   0.56761412  0.89560447  0.13683174
   0.83886970  0.84031317  0.22842565
   0.67481407  0.68529370  0.47562086
   0.86753852  0.65448965  0.89129733
   0.66875821  0.93666682  0.61451768
   0.87608505  0.89572095  0.75012372
   0.11188656  0.07657719  0.14377477
   0.36861789  0.18679061  0.28321266
   0.19324257  0.37179718  0.01647560
   0.40516210  0.42532176  0.34775025
   0.55618094  0.33946263  0.19230918
   0.29879375  0.41368394  0.18496752
   0.21233949  0.13874676  0.42739414
  -0.05017580  0.17842888  0.40944781
   0.04900671 -0.02795335  0.52003281
   0.47218218  0.24864778  0.77808065
   0.07573658  0.19568703  0.58862335
   0.35169609  0.46972794  0.83598638
   0.47678815  0.45144423  0.66581741
   0.23778407  0.34363916  0.69579501
   0.28224943  0.21418866 -0.12089709
   0.04061870  0.16523104  0.95228944
   0.13719080  0.59620975  0.09919992
   0.39948914  0.68611832  0.27795629
   0.14773556  0.84575184  0.04548361
   0.35146469  0.94059075  0.35660222
   0.42040075  0.91013067  0.17405875
   0.17493986  0.83897652  0.22723505
   0.32847367  0.62907345  0.45533057
   0.06625060  0.61066791  0.39116384
   0.17378312  0.42751263  0.51987529
   0.28935691  0.68161435  0.76361591
   0.11801277  0.68687506  0.56514688
   0.36107239  1.00018411  0.79447373
   0.51481022  0.90659389  0.66291318
   0.24537736  0.89269007  0.63222948
   0.28538424  0.67066590 -0.04792086
   0.02340063  0.69796706  0.92493271
   0.61593656  0.05300498  0.10089378
   0.83742284  0.20716695  0.22039903
   0.65093013  0.28712807  0.02076604
   0.86117237  0.43300596  0.38977351
   0.04833301  0.37505886  0.18782671
   0.78814344  0.44222239  0.14001389
   0.67341577  0.17751811  0.37219005
   0.46303505  0.12395228  0.46818715
   0.69665696  0.06836127  0.54909093
   0.84107809  0.25638422  0.84042291
   0.62708010  0.33226288  0.53028324
   0.84742450  0.49425302  0.86860557
   0.99475534  0.43618185  0.66788377
   0.72978769  0.39239099  0.69760080
   0.78071076  0.07756950  0.96563988
   0.52586200  0.07976994  0.92598784
   0.56751693  0.53973168  0.04408103
   0.88151253  0.68919039  0.27225520
   0.54453767  0.80020773  0.04775940
   0.84476961  0.96595050  0.31413880
   0.92634310  0.88715109  0.13854033
   0.67681450  0.82193124  0.21503280
   0.83221030  0.69370869  0.45636278
   0.59744414  0.59918226  0.38189468
   0.66161719  0.58866894  0.57270358
   0.83132998  0.74411322  0.79316035
   0.60795891  0.84006993  0.48569466
   0.94292648  0.98451546  0.83793883
   0.98423874  0.84790037  0.67582597
   0.75522040  0.99582877  0.71508638
   0.76869857  0.71144852  0.97459774
   0.52989242  0.67604934  0.87640093
   0.72684465  0.80790864  0.60794490
   0.20199286  0.77901039  0.45158746
   0.92826045  0.27976820  0.05780048
   0.91438272  0.31778682  0.41035484
   0.37661338  0.09747120  0.62235267
   0.31908844  0.76055534  0.72158436
   0.21613911  1.08588241  0.15167962
   0.27267813  1.14303614  0.04736750
   0.61770667  0.39613327  0.84193501
   0.79051290  0.53495618  0.54500783
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.882500    0.178204   -0.151607
    -0.000000    9.976893    0.184606
    -0.000000    0.000000   13.829934
   Si   O    H 
    32    64    10
Direct configuration=  2895
   0.19560899  0.21882137 -0.02325793
   0.35335407  0.09242741  0.38481421
   0.16428257  0.44141103  0.12049707
   0.41341094  0.33394158  0.25391672
   0.07715074  0.11849626  0.48754921
   0.41932271  0.13114840  0.84662409
   0.11386838  0.36193984  0.61460618
   0.37728470  0.37386742  0.74182634
   0.14997068  0.69230798 -0.00010817
   0.43313057  0.58456209  0.36739532
   0.09001476  0.90364106  0.13962142
   0.33116972  0.84333960  0.26282560
   0.16617585  0.58745088  0.47600920
   0.37112097  0.62594348  0.85722662
   0.10033992  0.84978907  0.59223905
   0.37062349  0.97721649  0.66894281
   0.64333060  0.13735719  1.00713327
   0.82059287  0.12739625  0.32697041
   0.63319930  0.41099271  0.09862318
   0.90827876  0.31816507  0.15169075
   0.61230185  0.18701879  0.48532524
   0.90251276  0.12699942  0.89733539
   0.62129100  0.44018580  0.61883559
   0.75985388  0.38861872  0.81080520
   0.60598707  0.68133137 -0.01344869
   0.90019175  0.59541342  0.37299664
   0.56701160  0.89591844  0.13643960
   0.83779652  0.83967757  0.22863370
   0.67507122  0.68580976  0.47642407
   0.86753571  0.65397032  0.89060768
   0.67026177  0.93723802  0.61529001
   0.87582142  0.89648548  0.74933883
   0.11052700  0.07605968  0.14353341
   0.36955203  0.18378751  0.28461998
   0.19449926  0.37207040  0.01739243
   0.40672604  0.42392098  0.34847805
   0.55787965  0.33928093  0.19297537
   0.29802676  0.41178408  0.18384093
   0.21224068  0.13667336  0.42714852
  -0.05018596  0.17968548  0.41009171
   0.04923877 -0.03180067  0.51947401
   0.47393603  0.24852743  0.77699087
   0.07476670  0.19594334  0.58915582
   0.35280622  0.46996444  0.83467266
   0.47654608  0.45161769  0.66560124
   0.23775967  0.34256820  0.69563855
   0.28291710  0.21301584 -0.12071344
   0.04097844  0.16634848  0.95137824
   0.13673801  0.59715998  0.09984999
   0.39834009  0.68599356  0.27962106
   0.14571746  0.84550109  0.04611908
   0.35111421  0.94174146  0.35670416
   0.41793629  0.91158716  0.17570256
   0.17571569  0.83805659  0.22648587
   0.32856026  0.62873481  0.45518115
   0.06676432  0.61231549  0.39041617
   0.17596222  0.42891573  0.51969258
   0.28941879  0.68103908  0.76328410
   0.11846017  0.68644146  0.56588396
   0.36076329  0.99839675  0.79292192
   0.51444021  0.90684673  0.66262947
   0.24559867  0.89146407  0.63156680
   0.28695167  0.67108527 -0.04868796
   0.02291111  0.69873282  0.92401023
   0.61609087  0.05120643  0.10207679
   0.83597800  0.20631506  0.22024962
   0.65091863  0.28688964  0.02191536
   0.86283830  0.43278298  0.39035432
   0.04933906  0.37649577  0.18804899
   0.78839643  0.44106669  0.14001976
   0.67384348  0.17738108  0.37177266
   0.46213223  0.12262313  0.46777557
   0.69589669  0.06976451  0.54973673
   0.84103345  0.25547935  0.83963914
   0.62615119  0.33057090  0.53204843
   0.84643380  0.49522337  0.86774448
   0.99420978  0.43742423  0.66787664
   0.72893979  0.39067512  0.69874585
   0.78002292  0.07838218  0.96612518
   0.52630448  0.07879025  0.92642290
   0.56796750  0.54113996  0.04607693
   0.88042902  0.68891795  0.27120302
   0.54493754  0.79960017  0.04638816
   0.84419362  0.96518498  0.31466722
   0.92659898  0.88590587  0.13751449
   0.67678841  0.82283664  0.21615774
   0.83428708  0.69342955  0.45757227
   0.59679952  0.60085641  0.38250994
   0.66283933  0.58641445  0.57400134
   0.83236167  0.74582344  0.79250239
   0.60661121  0.84125054  0.48618110
   0.94277874  0.98491243  0.83822555
   0.98593180  0.84753847  0.67457153
   0.75773088  0.99442059  0.71474855
   0.77095355  0.71255649  0.97449650
   0.52890042  0.67656640  0.87675207
   0.72500253  0.80111190  0.60850161
   0.19519189  0.77495900  0.45497194
   0.93124365  0.27576092  0.05403237
   0.91364477  0.33302163  0.40833169
   0.38363540  0.10136066  0.61939641
   0.32202633  0.76057813  0.72256037
   0.20400816  1.08684737  0.14867181
   0.27560578  1.14208672  0.04668731
   0.61622472  0.39379690  0.84695938
   0.78206879  0.54876255  0.54854899
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881670    0.180362   -0.149521
    -0.000000    9.975968    0.184464
    -0.000000    0.000000   13.832232
   Si   O    H 
    32    64    10
Direct configuration=  2896
   0.19648629  0.21807626 -0.02331031
   0.35226541  0.09341587  0.38435363
   0.16432624  0.44344326  0.12058784
   0.41398924  0.33476255  0.25365342
   0.07573257  0.11986172  0.48665955
   0.41932492  0.13044473  0.84708453
   0.11431557  0.36284760  0.61498782
   0.37644414  0.37295537  0.74244383
   0.14990166  0.69199241 -0.00003822
   0.43459537  0.58479393  0.36774154
   0.09065260  0.90336753  0.14062652
   0.32969719  0.84326755  0.26321454
   0.16616324  0.58773417  0.47666272
   0.37140479  0.62675251  0.85720830
   0.10027248  0.84978085  0.59225848
   0.37201231  0.97803550  0.66925167
   0.64515830  0.13788113  1.00861173
   0.82149374  0.12689742  0.32576798
   0.63254455  0.41023128  0.09743022
   0.90829549  0.31986715  0.15187640
   0.61311694  0.18590151  0.48465854
   0.90260603  0.12516509  0.89855448
   0.62085282  0.44046621  0.61786554
   0.75943637  0.38808802  0.81205359
   0.60556446  0.68219306 -0.01299337
   0.90073151  0.59609623  0.37407297
   0.56685771  0.89660318  0.13629070
   0.83669106  0.83960532  0.22972055
   0.67461154  0.68740827  0.47718475
   0.86736353  0.65449347  0.88960980
   0.67129090  0.93807638  0.61630716
   0.87567916  0.89646304  0.74862642
   0.10836360  0.07527371  0.14410980
   0.37050928  0.18056221  0.28579096
   0.19560174  0.37144600  0.01808492
   0.40890622  0.42400375  0.34964646
   0.55933966  0.33853378  0.19389928
   0.29757546  0.41001281  0.18306867
   0.21161874  0.13468367  0.42667663
  -0.05031067  0.18044694  0.41112020
   0.04995567 -0.03585735  0.51939148
   0.47552656  0.24849691  0.77580396
   0.07484351  0.19619983  0.59005603
   0.35409456  0.47049660  0.83418499
   0.47617762  0.45180285  0.66484863
   0.23763857  0.34091024  0.69514774
   0.28319764  0.21183362 -0.11994502
   0.04173582  0.16767749  0.94972808
   0.13701737  0.59797240  0.10050886
   0.39637385  0.68607650  0.28052913
   0.14445995  0.84490390  0.04661366
   0.35146935  0.94171330  0.35622602
   0.41508991  0.91309081  0.17746017
   0.17638782  0.83629794  0.22655517
   0.32894802  0.62855830  0.45512362
   0.06736654  0.61414545  0.38920353
   0.17782341  0.42979163  0.51911583
   0.28912599  0.68160107  0.76270338
   0.11890141  0.68626333  0.56609800
   0.36012756  0.99655340  0.79122020
   0.51474710  0.90692900  0.66171835
   0.24615018  0.89077466  0.63107747
   0.28904289  0.67097574 -0.04935156
   0.02263269  0.69897334  0.92332356
   0.61538207  0.04893851  0.10338944
   0.83489668  0.20536139  0.22072662
   0.65032727  0.28822778  0.02267974
   0.86459699  0.43330690  0.39115871
   0.05002447  0.37804767  0.18813457
   0.78942561  0.44067065  0.13981601
   0.67415651  0.17732633  0.37190415
   0.46126201  0.12235912  0.46747225
   0.69497722  0.07111128  0.54937600
   0.84090584  0.25376604  0.83813383
   0.62496498  0.32882555  0.53427241
   0.84541168  0.49657982  0.86726123
   0.99397982  0.43920528  0.66786184
   0.72808150  0.38924176  0.69963292
   0.77992533  0.07945047  0.96615228
   0.52687305  0.07813501  0.92682970
   0.56829497  0.54275474  0.04773563
   0.87946467  0.68831660  0.27029340
   0.54479414  0.79973976  0.04525948
   0.84371693  0.96410584  0.31529350
   0.92682888  0.88451996  0.13669981
   0.67664824  0.82457715  0.21701906
   0.83585825  0.69237433  0.45842278
   0.59668442  0.60258484  0.38337958
   0.66437040  0.58436714  0.57502918
   0.83314700  0.74721518  0.79147607
   0.60635733  0.84222735  0.48651102
   0.94334637  0.98575332  0.83850106
   0.98767995  0.84624094  0.67255340
   0.75940074  0.99214483  0.71327375
   0.77241117  0.71272025  0.97465879
   0.52791523  0.67707485  0.87734881
   0.72818885  0.79745113  0.60954099
   0.18605560  0.77310740  0.45844853
   0.93324807  0.26814636  0.04940449
   0.91136732  0.35202758  0.40442437
   0.38933138  0.11000261  0.61653139
   0.32104013  0.75112632  0.72944632
   0.20460727  1.08889117  0.14720088
   0.27769858  1.13932159  0.04751732
   0.61791960  0.39008256  0.85220678
   0.76699981  0.56383804  0.55654769
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880476    0.182957   -0.147457
    -0.000000    9.975369    0.184265
    -0.000000    0.000000   13.834650
   Si   O    H 
    32    64    10
Direct configuration=  2897
   0.19674062  0.21741622 -0.02308326
   0.35070968  0.09388675  0.38407108
   0.16427186  0.44489691  0.12089021
   0.41466360  0.33529796  0.25343071
   0.07443697  0.12142092  0.48588267
   0.41928670  0.13007599  0.84730568
   0.11425357  0.36352760  0.61578040
   0.37593676  0.37173620  0.74312813
   0.15005203  0.69196751  0.00014658
   0.43638030  0.58477003  0.36861083
   0.09112706  0.90350035  0.14165672
   0.32841234  0.84290380  0.26350521
   0.16722639  0.58820702  0.47712490
   0.37185757  0.62739327  0.85722422
   0.10024197  0.84970826  0.59207790
   0.37289590  0.97893144  0.66948612
   0.64685676  0.13753984  1.00975627
   0.82221855  0.12646031  0.32489383
   0.63223067  0.40978017  0.09683111
   0.90821969  0.32212599  0.15187854
   0.61365373  0.18451899  0.48357965
   0.90252149  0.12429342  0.89997919
   0.61984833  0.44106735  0.61730801
   0.75918169  0.38714668  0.81316741
   0.60544572  0.68290581 -0.01287402
   0.90133509  0.59719570  0.37506711
   0.56691110  0.89746051  0.13602090
   0.83669915  0.83936885  0.23081103
   0.67325359  0.68947598  0.47782291
   0.86723308  0.65499264  0.88896851
   0.67176905  0.93860479  0.61697300
   0.87681609  0.89643435  0.74829567
   0.10557202  0.07376017  0.14464339
   0.37132939  0.17804175  0.28703739
   0.19596967  0.37110549  0.01923641
   0.41123426  0.42490099  0.35112293
   0.56045592  0.33853196  0.19443929
   0.29728328  0.40808052  0.18261626
   0.21047891  0.13315785  0.42644749
  -0.04993736  0.18026955  0.41180170
   0.05050970 -0.03850040  0.51945017
   0.47703919  0.24838324  0.77473334
   0.07369143  0.19697836  0.59090734
   0.35575167  0.47009861  0.83402782
   0.47438126  0.45157074  0.66449753
   0.23733035  0.33939498  0.69451071
   0.28258247  0.21079610 -0.11969151
   0.04287223  0.16927726  0.94824727
   0.13701332  0.59904191  0.10147133
   0.39468676  0.68691063  0.28161068
   0.14329229  0.84379314  0.04706689
   0.35180774  0.94026546  0.35563774
   0.41251560  0.91433026  0.17861024
   0.17605132  0.83507050  0.22662789
   0.32991523  0.62753687  0.45466242
   0.06770050  0.61577948  0.38790797
   0.18000552  0.43121606  0.51830739
   0.28787260  0.68114391  0.76198003
   0.11970599  0.68618701  0.56605616
   0.36005334  0.99479863  0.78964745
   0.51591957  0.90718366  0.66011146
   0.24678361  0.89024725  0.63122344
   0.29076298  0.67044965 -0.04993370
   0.02119871  0.69946405  0.92269546
   0.61453384  0.04574210  0.10443761
   0.83397798  0.20396042  0.22096833
   0.64969889  0.29074483  0.02313848
   0.86602023  0.43458195  0.39127907
   0.05048861  0.37916266  0.18877747
   0.78965683  0.43943601  0.13919852
   0.67446323  0.17660077  0.37240357
   0.46111871  0.12141243  0.46701750
   0.69368078  0.07206642  0.54813987
   0.84147661  0.25229367  0.83619598
   0.62309227  0.32759947  0.53632565
   0.84515400  0.49810780  0.86654698
   0.99354497  0.44203787  0.66730639
   0.72798327  0.38860201  0.70015062
   0.77995616  0.08048671  0.96667467
   0.52674633  0.07780811  0.92742314
   0.56766994  0.54503592  0.04881310
   0.87844313  0.68752692  0.26966169
   0.54473500  0.79965260  0.04426440
   0.84316039  0.96224828  0.31569063
   0.92765051  0.88322784  0.13574164
   0.67558277  0.82699047  0.21750227
   0.83770619  0.69239468  0.45953622
   0.59634026  0.60441182  0.38472190
   0.66588781  0.58241101  0.57560323
   0.83429657  0.74847301  0.79065992
   0.60681736  0.84210266  0.48637813
   0.94319442  0.98718627  0.83946663
   0.98897566  0.84400323  0.67018846
   0.76058197  0.99002554  0.71170363
   0.77325714  0.71253192  0.97451246
   0.52749384  0.67714918  0.87775938
   0.73437538  0.80069203  0.61152382
   0.17782464  0.77225260  0.46131447
   0.93119443  0.26552458  0.05105712
   0.91848407  0.36165083  0.40139995
   0.39168929  0.12055384  0.61333227
   0.32460306  0.76240177  0.72692460
   0.20479431  1.09180826  0.14508419
   0.28212245  1.13615079  0.04690867
   0.62064586  0.38844214  0.85708431
   0.75158490  0.57671693  0.56764266
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879074    0.185311   -0.145543
    -0.000000    9.974890    0.183971
    -0.000000    0.000000   13.837003
   Si   O    H 
    32    64    10
Direct configuration=  2898
   0.19709709  0.21625145 -0.02284045
   0.34996493  0.09421421  0.38380781
   0.16466980  0.44617664  0.12108772
   0.41504031  0.33572688  0.25349890
   0.07361242  0.12234029  0.48584308
   0.41816767  0.12987173  0.84777996
   0.11407085  0.36371222  0.61696267
   0.37592999  0.37062490  0.74373195
   0.15006848  0.69251334  0.00037946
   0.43779899  0.58502900  0.36935566
   0.09133016  0.90379055  0.14263755
   0.32744208  0.84186038  0.26406568
   0.16881184  0.58943179  0.47771892
   0.37212712  0.62814942  0.85734503
   0.10007706  0.84939679  0.59184046
   0.37366320  0.97980540  0.66966912
   0.64793875  0.13656085  1.01056545
   0.82318792  0.12593646  0.32423709
   0.63230293  0.40912062  0.09644966
   0.90802127  0.32378260  0.15208154
   0.61385310  0.18298209  0.48235230
   0.90243344  0.12341284  0.90067505
   0.61881546  0.44158736  0.61697410
   0.75860413  0.38559168  0.81417960
   0.60521925  0.68326826 -0.01335554
   0.90211458  0.59811983  0.37570545
   0.56702958  0.89876676  0.13602249
   0.83601394  0.83932664  0.23128837
   0.67196260  0.69242049  0.47804862
   0.86742780  0.65589091  0.88837558
   0.67171804  0.93919282  0.61765338
   0.87804268  0.89560571  0.74864602
   0.10359873  0.07142889  0.14557862
   0.37251206  0.17634044  0.28789711
   0.19625869  0.37056310  0.02026550
   0.41301774  0.42657098  0.35167714
   0.56173376  0.33916429  0.19478180
   0.29844913  0.40675082  0.18264985
   0.20897803  0.13174436  0.42629543
  -0.04910727  0.18049296  0.41244421
   0.05105738 -0.03998661  0.51890805
   0.47851435  0.24738236  0.77405865
   0.07298398  0.19746697  0.59136635
   0.35709616  0.46999510  0.83429275
   0.47274416  0.45182036  0.66456843
   0.23616841  0.33697311  0.69440590
   0.28167027  0.20994758 -0.11945160
   0.04467943  0.17083560  0.94733830
   0.13652387  0.59995262  0.10243621
   0.39319372  0.68834328  0.28223541
   0.14345380  0.84201456  0.04756599
   0.35175337  0.93745898  0.35527057
   0.41058190  0.91535035  0.17963752
   0.17521925  0.83380833  0.22706041
   0.33009096  0.62693222  0.45455887
   0.06803532  0.61670745  0.38681577
   0.18161055  0.43277394  0.51751163
   0.28586965  0.68097705  0.76065874
   0.11967000  0.68656090  0.56629854
   0.35984059  0.99356300  0.78799275
   0.51701264  0.90762555  0.65865375
   0.24715127  0.89011917  0.63170971
   0.29295446  0.66934557 -0.04973942
   0.02019600  0.70017378  0.92202431
   0.61414231  0.04282520  0.10516418
   0.83378476  0.20322699  0.22067918
   0.64950558  0.29331721  0.02350224
   0.86578592  0.43688061  0.39071393
   0.05019306  0.37896833  0.18930338
   0.78951916  0.43840986  0.13838690
   0.67467662  0.17606528  0.37270786
   0.46054314  0.12127233  0.46682594
   0.69203411  0.07292608  0.54744200
   0.84207733  0.25031770  0.83435502
   0.62107740  0.32591162  0.53826359
   0.84512917  0.49971150  0.86584540
   0.99359623  0.44467062  0.66626748
   0.72812233  0.38868139  0.70041034
   0.78084164  0.08141152  0.96668065
   0.52690160  0.07799699  0.92869274
   0.56646430  0.54613181  0.04980493
   0.87829684  0.68713995  0.26886109
   0.54369172  0.80029182  0.04298778
   0.84273082  0.96098555  0.31553212
   0.92815900  0.88194078  0.13478141
   0.67378555  0.82954352  0.21744221
   0.84010572  0.69181514  0.46002656
   0.59674618  0.60586136  0.38619782
   0.66579705  0.58081666  0.57613923
   0.83545925  0.74972593  0.79033202
   0.60689694  0.84114847  0.48662053
   0.94249843  0.98819681  0.83988469
   0.98900706  0.84218854  0.66864082
   0.76089544  0.98876435  0.71109419
   0.77310802  0.71194530  0.97419418
   0.52695412  0.67682720  0.87860293
   0.74323350  0.80561640  0.61682170
   0.17142093  0.77399648  0.46427206
   0.92731917  0.26665553  0.05570914
   0.94161189  0.34942547  0.40202674
   0.39116128  0.12333569  0.61350411
   0.32309904  0.76143479  0.72549229
   0.19759315  1.09631633  0.14364213
   0.28779225  1.13421498  0.04756220
   0.62845521  0.39022873  0.85975049
   0.77816153  0.57967352  0.58166688
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877895    0.187467   -0.144030
    -0.000000    9.974322    0.183841
    -0.000000    0.000000   13.839243
   Si   O    H 
    32    64    10
Direct configuration=  2899
   0.19749398  0.21552723 -0.02259507
   0.34895911  0.09416470  0.38377472
   0.16533960  0.44745246  0.12137142
   0.41492136  0.33608377  0.25342545
   0.07281941  0.12329371  0.48618754
   0.41689287  0.12996952  0.84818772
   0.11359986  0.36359434  0.61832618
   0.37636840  0.36948820  0.74433485
   0.14940846  0.69283575  0.00038212
   0.43905293  0.58552838  0.37021088
   0.09123065  0.90454841  0.14321144
   0.32715217  0.84052542  0.26442312
   0.17049774  0.59041969  0.47815279
   0.37350786  0.62874423  0.85711414
   0.09922528  0.84897607  0.59195347
   0.37417018  0.98053594  0.67007000
   0.64831854  0.13615457  1.01114583
   0.82407998  0.12486038  0.32382227
   0.63310163  0.40888957  0.09624430
   0.90755299  0.32436723  0.15233188
   0.61432461  0.18186002  0.48092562
   0.90245481  0.12248744  0.90122710
   0.61783251  0.44150461  0.61699538
   0.75822889  0.38470109  0.81505321
   0.60572662  0.68313638 -0.01439917
   0.90306844  0.59863238  0.37613076
   0.56699372  0.89904031  0.13587300
   0.83581231  0.83930944  0.23183339
   0.67049165  0.69549886  0.47772810
   0.86796391  0.65756464  0.88777974
   0.67127294  0.93985610  0.61820007
   0.87945889  0.89487684  0.74914467
   0.10201851  0.07041555  0.14671722
   0.37349302  0.17547149  0.28821769
   0.19622290  0.36920259  0.02182044
   0.41400477  0.42743594  0.35176223
   0.56179636  0.34025247  0.19507389
   0.29930941  0.40533511  0.18313476
   0.20756222  0.13095953  0.42609232
  -0.04822619  0.18059148  0.41279641
   0.05214492 -0.04067274  0.51876720
   0.48052382  0.24631850  0.77390630
   0.07252391  0.19811558  0.59163799
   0.35827238  0.46877844  0.83457891
   0.47111368  0.45255424  0.66519834
   0.23424493  0.33510152  0.69464589
   0.28118880  0.20854347 -0.12006569
   0.04676974  0.17184153  0.94664427
   0.13512508  0.60032182  0.10345068
   0.39207094  0.68939481  0.28338841
   0.14479978  0.84002474  0.04796642
   0.35186274  0.93488351  0.35518585
   0.41028293  0.91620521  0.18029194
   0.17469558  0.83249365  0.22787779
   0.32982616  0.62626512  0.45451521
   0.06815320  0.61778017  0.38581479
   0.18293765  0.43469661  0.51628220
   0.28387226  0.68088003  0.75869535
   0.11968935  0.68697844  0.56607420
   0.36026204  0.99348579  0.78695939
   0.51844728  0.90783734  0.65751284
   0.24830100  0.89044579  0.63188933
   0.29486825  0.66871066 -0.04927270
   0.02030410  0.70043338  0.92177261
   0.61416720  0.04021177  0.10572462
   0.83462232  0.20215524  0.22038950
   0.64943466  0.29522555  0.02335734
   0.86648426  0.43882441  0.39018008
   0.05092786  0.37888738  0.18992094
   0.78865012  0.43749401  0.13742812
   0.67511835  0.17498227  0.37248543
   0.46043193  0.12106957  0.46650131
   0.69082466  0.07379068  0.54739727
   0.84254175  0.24782222  0.83280405
   0.61911463  0.32509066  0.53946903
   0.84498071  0.50192872  0.86502365
   0.99397443  0.44667546  0.66470454
   0.72769371  0.38889083  0.70010107
   0.78207116  0.08235223  0.96747532
   0.52670255  0.07887740  0.93025254
   0.56536371  0.54673741  0.04995011
   0.87778686  0.68691311  0.26842576
   0.54282141  0.80137956  0.04157456
   0.84302085  0.96063903  0.31512303
   0.92879719  0.88154109  0.13397710
   0.67174405  0.83209297  0.21692753
   0.84136342  0.69133641  0.46094253
   0.59771706  0.60800721  0.38791386
   0.66757848  0.57972600  0.57716407
   0.83626070  0.75023167  0.79034637
   0.60720039  0.84019613  0.48632976
   0.94212388  0.98922051  0.84078252
   0.98851784  0.84119706  0.66766188
   0.76020553  0.98787221  0.71018161
   0.77147716  0.71038123  0.97471016
   0.52589035  0.67623102  0.87919037
   0.75512978  0.80926158  0.62042512
   0.16503071  0.77983560  0.46570133
   0.92290896  0.27053843  0.06119468
   0.95416964  0.34472347  0.40319021
   0.38427434  0.11967197  0.61389329
   0.32110334  0.75583664  0.72675911
   0.18891509  1.10309039  0.14320121
   0.29360912  1.13346187  0.04709382
   0.63127224  0.39270463  0.86323997
   0.79610008  0.58337212  0.59726958
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876740    0.189696   -0.143175
    -0.000000    9.973881    0.183181
    -0.000000    0.000000   13.841494
   Si   O    H 
    32    64    10
Direct configuration=  2900
   0.19712798  0.21542011 -0.02270258
   0.34832686  0.09432033  0.38362312
   0.16645222  0.44823533  0.12125301
   0.41455960  0.33664543  0.25335883
   0.07181118  0.12412252  0.48647006
   0.41610134  0.12999843  0.84836989
   0.11283466  0.36288993  0.61922428
   0.37680187  0.36937218  0.74499906
   0.14810036  0.69387079  0.00032036
   0.44059615  0.58616740  0.37081361
   0.09127376  0.90499776  0.14380120
   0.32723358  0.83922143  0.26480511
   0.17202389  0.59122143  0.47898302
   0.37425082  0.62929793  0.85662715
   0.09866519  0.84891062  0.59226235
   0.37461566  0.98160801  0.67054394
   0.64847262  0.13555074  1.01153854
   0.82488967  0.12389079  0.32347268
   0.63357797  0.40860334  0.09679476
   0.90644136  0.32514842  0.15293217
   0.61516782  0.18094339  0.47927835
   0.90325087  0.12243516  0.90166894
   0.61721202  0.44117174  0.61767717
   0.75764087  0.38422835  0.81621711
   0.60587847  0.68337185 -0.01546685
   0.90460163  0.59887024  0.37648510
   0.56679944  0.89939356  0.13591405
   0.83547322  0.83977404  0.23250785
   0.66935247  0.69801827  0.47715327
   0.86826416  0.65962647  0.88727271
   0.67152160  0.94043534  0.61832832
   0.88100628  0.89420396  0.75010100
   0.10055460  0.06900926  0.14763373
   0.37429528  0.17615155  0.28778847
   0.19556975  0.36771489  0.02345713
   0.41433640  0.42836778  0.35202422
   0.56067248  0.34064066  0.19522422
   0.30006238  0.40295680  0.18375539
   0.20662546  0.13103755  0.42610305
  -0.04744188  0.17995958  0.41348103
   0.05264537 -0.04014349  0.51795046
   0.48228821  0.24482036  0.77419938
   0.07193121  0.20017893  0.59122456
   0.35946412  0.46713671  0.83543151
   0.47009134  0.45346838  0.66532264
   0.23324093  0.33367632  0.69523727
   0.28152088  0.20699386 -0.12056596
   0.04858335  0.17292917  0.94565240
   0.13375258  0.60205660  0.10383754
   0.39114112  0.69048322  0.28423275
   0.14635275  0.83752061  0.04798067
   0.35110341  0.93216744  0.35528636
   0.41003607  0.91712910  0.18113440
   0.17489049  0.83131570  0.22824818
   0.32931684  0.62552453  0.45432848
   0.06922501  0.61893065  0.38528203
   0.18398637  0.43578938  0.51530416
   0.28238203  0.68019252  0.75694288
   0.12031379  0.68710122  0.56602998
   0.36093446  0.99391975  0.78629127
   0.51974808  0.90787885  0.65687866
   0.24984456  0.88987711  0.63135867
   0.29564059  0.66839449 -0.04829256
   0.02098099  0.70072788  0.92219642
   0.61397243  0.03886506  0.10596103
   0.83550653  0.20141545  0.21990644
   0.64952193  0.29560927  0.02253263
   0.86723157  0.44036636  0.38990450
   0.05126676  0.37984714  0.19019901
   0.78778920  0.43727464  0.13679927
   0.67564483  0.17491836  0.37212051
   0.46027751  0.12086316  0.46614007
   0.69052967  0.07342640  0.54752675
   0.84299851  0.24497804  0.83099613
   0.61724352  0.32395267  0.54017511
   0.84549043  0.50394094  0.86439258
   0.99430577  0.44867270  0.66280597
   0.72723533  0.38986590  0.69971828
   0.78372955  0.08374981  0.96828212
   0.52685320  0.07975043  0.93235387
   0.56502361  0.54690140  0.04943769
   0.87806048  0.68696844  0.26826043
   0.54197096  0.80337968  0.04105352
   0.84325651  0.96026149  0.31489986
   0.92876019  0.88133839  0.13349664
   0.67003119  0.83404827  0.21653275
   0.84146706  0.69151935  0.46180453
   0.59896527  0.60999049  0.38992590
   0.66983995  0.57937510  0.57748521
   0.83666029  0.75089465  0.79063652
   0.60742889  0.83963054  0.48558882
   0.94273750  0.98969679  0.84141693
   0.98808095  0.84161244  0.66730937
   0.75986183  0.98741958  0.70928301
   0.76911418  0.70903638  0.97555006
   0.52511917  0.67561782  0.87982560
   0.76434657  0.80953613  0.62161302
   0.16076743  0.78855347  0.46906267
   0.91761088  0.26848380  0.06212397
   0.95327800  0.34609827  0.40161240
   0.37367350  0.10983291  0.61624952
   0.31952424  0.75558575  0.72540260
   0.19183375  1.11256450  0.14378197
   0.29508763  1.13636147  0.04701534
   0.63098143  0.39806500  0.86638727
   0.80828132  0.58789862  0.61193451
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875575    0.192108   -0.142427
    -0.000000    9.973360    0.182363
    -0.000000    0.000000   13.843538
   Si   O    H 
    32    64    10
Direct configuration=  2901
   0.19695270  0.21549979 -0.02288554
   0.34826031  0.09400079  0.38351450
   0.16809009  0.44910770  0.12136287
   0.41425151  0.33656195  0.25306443
   0.07000392  0.12522250  0.48708589
   0.41625035  0.12913524  0.84857060
   0.11187175  0.36241746  0.62003688
   0.37659975  0.36930757  0.74548204
   0.14677280  0.69540712  0.00035366
   0.44187537  0.58654651  0.37149528
   0.09065856  0.90534030  0.14394426
   0.32751416  0.83782525  0.26527575
   0.17305907  0.59213504  0.47968889
   0.37500571  0.62919471  0.85569891
   0.09816537  0.84873172  0.59225819
   0.37551579  0.98293266  0.67132563
   0.64815800  0.13429806  1.01211740
   0.82578056  0.12315766  0.32311106
   0.63459462  0.40816451  0.09748784
   0.90547123  0.32546968  0.15355115
   0.61541979  0.17957738  0.47780755
   0.90451894  0.12269623  0.90192283
   0.61652846  0.44029059  0.61860647
   0.75780594  0.38338231  0.81716145
   0.60635388  0.68433935 -0.01635631
   0.90623906  0.59960053  0.37647148
   0.56576295  0.89923365  0.13589772
   0.83492526  0.83966875  0.23304776
   0.66895769  0.69923709  0.47671609
   0.86842041  0.66157866  0.88722020
   0.67176235  0.94079246  0.61814525
   0.88265650  0.89341595  0.75095908
   0.09973677  0.06824078  0.14815519
   0.37526885  0.17683373  0.28722420
   0.19511707  0.36575488  0.02393273
   0.41519948  0.42907292  0.35208694
   0.55974998  0.34139768  0.19497110
   0.29996308  0.40134967  0.18428348
   0.20492651  0.13243485  0.42648359
  -0.04729059  0.18006152  0.41343011
   0.05219390 -0.03882630  0.51714166
   0.48361879  0.24380914  0.77454008
   0.07109318  0.20109142  0.59077675
   0.36045043  0.46590185  0.83603621
   0.46887257  0.45382113  0.66587450
   0.23323830  0.33242630  0.69553609
   0.28252497  0.20525385 -0.12141782
   0.04963637  0.17370276  0.94467531
   0.13291834  0.60349768  0.10379394
   0.39006670  0.69098520  0.28492240
   0.14868759  0.83583136  0.04770696
   0.35079870  0.93053893  0.35610324
   0.40952220  0.91822813  0.18180402
   0.17398763  0.83066422  0.22922513
   0.32952863  0.62530333  0.45404998
   0.07017961  0.61954538  0.38466995
   0.18462569  0.43620573  0.51451242
   0.28105627  0.67920023  0.75581664
   0.12048497  0.68745621  0.56579383
   0.36160902  0.99428626  0.78658127
   0.52154784  0.90768664  0.65651268
   0.25018909  0.88956602  0.63096004
   0.29517266  0.66818772 -0.04735353
   0.02206070  0.70082266  0.92156927
   0.61534916  0.03854844  0.10629443
   0.83691212  0.20064086  0.21954195
   0.65024043  0.29584460  0.02146913
   0.86859319  0.44047702  0.38942673
   0.05185005  0.38007432  0.19074960
   0.78720564  0.43718097  0.13665669
   0.67606750  0.17455139  0.37207772
   0.45988388  0.12001427  0.46577084
   0.69074314  0.07256603  0.54749300
   0.84374915  0.24191595  0.82898948
   0.61516101  0.32209597  0.54080964
   0.84638296  0.50650904  0.86374810
   0.99425999  0.45105042  0.66096025
   0.72593570  0.39068303  0.69925611
   0.78507141  0.08524242  0.96956215
   0.52774832  0.08050129  0.93415742
   0.56446458  0.54671907  0.04900843
   0.87809440  0.68696285  0.26821017
   0.54191376  0.80513664  0.04078697
   0.84413841  0.95922235  0.31489353
   0.92861329  0.88110446  0.13325489
   0.66929823  0.83567424  0.21612568
   0.84030437  0.69126653  0.46248428
   0.60059539  0.61220733  0.39191125
   0.67257536  0.57993426  0.57850865
   0.83647894  0.75135405  0.79125404
   0.60791040  0.83932635  0.48505304
   0.94326846  0.99015377  0.84233848
   0.98795247  0.84117731  0.66732736
   0.75900702  0.98739233  0.70911694
   0.76599565  0.70778133  0.97596138
   0.52525175  0.67466209  0.88034153
   0.76932620  0.81475956  0.61746567
   0.15566885  0.79461426  0.47158546
   0.91700062  0.26342141  0.05826346
   0.94114283  0.35713404  0.39905303
   0.36079495  0.10252458  0.61897530
   0.32026707  0.75748117  0.72131278
   0.19002706  1.11922690  0.14478761
   0.29278373  1.14127138  0.04801901
   0.63004363  0.40266049  0.87012977
   0.81213113  0.59122664  0.62223181
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874051    0.194166   -0.142037
    -0.000000    9.972753    0.180891
    -0.000000    0.000000   13.846148
   Si   O    H 
    32    64    10
Direct configuration=  2902
   0.19635846  0.21569874 -0.02276832
   0.34841817  0.09340696  0.38348973
   0.16937984  0.44960437  0.12214645
   0.41399068  0.33659224  0.25253373
   0.06842578  0.12592220  0.48768345
   0.41626650  0.12883865  0.84847165
   0.11081733  0.36214709  0.62088764
   0.37644137  0.36885001  0.74601918
   0.14588260  0.69692580  0.00030259
   0.44272700  0.58757248  0.37198854
   0.09001994  0.90610811  0.14390024
   0.32751863  0.83607333  0.26566700
   0.17430987  0.59288833  0.47969599
   0.37556490  0.62884860  0.85453014
   0.09788140  0.84813901  0.59188194
   0.37643486  0.98370922  0.67168527
   0.64724488  0.13396035  1.01266202
   0.82618680  0.12212778  0.32317157
   0.63562985  0.40832731  0.09783242
   0.90442959  0.32477723  0.15378863
   0.61603245  0.17834831  0.47675376
   0.90635928  0.12265786  0.90199303
   0.61666032  0.43861389  0.62010502
   0.75788649  0.38228016  0.81767225
   0.60637898  0.68485880 -0.01748970
   0.90744092  0.60045768  0.37627520
   0.56453505  0.89842684  0.13564473
   0.83395944  0.84015422  0.23396591
   0.66861060  0.69941252  0.47642185
   0.86830368  0.66332794  0.88706167
   0.67257078  0.94111334  0.61754444
   0.88460761  0.89317251  0.75158688
   0.09922850  0.06820131  0.14855427
   0.37685388  0.17702444  0.28651970
   0.19453664  0.36475090  0.02461190
   0.41659722  0.42963659  0.35212838
   0.55900943  0.34272724  0.19467910
   0.29947093  0.40044954  0.18450557
   0.20397563  0.13495980  0.42794515
  -0.04718092  0.18092238  0.41327294
   0.05193316 -0.03660649  0.51646206
   0.48473421  0.24365876  0.77476358
   0.07046412  0.20249838  0.59028587
   0.36106118  0.46510781  0.83628089
   0.46752430  0.45476109  0.66651442
   0.23383074  0.33106175  0.69571007
   0.28340306  0.20401586 -0.12223985
   0.05003902  0.17483654  0.94372258
   0.13174972  0.60476446  0.10361230
   0.38981022  0.69091854  0.28550560
   0.15165001  0.83489383  0.04764290
   0.35005898  0.92965480  0.35699156
   0.40997271  0.91864593  0.18205555
   0.17317031  0.83053542  0.23062066
   0.33034000  0.62578327  0.45316084
   0.07106344  0.61941467  0.38413641
   0.18592924  0.43706069  0.51359764
   0.28054244  0.67821909  0.75490953
   0.12024389  0.68736128  0.56511872
   0.36201901  0.99477882  0.78681039
   0.52286781  0.90756878  0.65611406
   0.25037130  0.88933230  0.63004640
   0.29444387  0.66786384 -0.04652369
   0.02307536  0.70068527  0.92121815
   0.61713008  0.03797503  0.10704333
   0.83801441  0.20054229  0.21940361
   0.65083955  0.29520520  0.01986235
   0.87062503  0.44069057  0.38894354
   0.05295088  0.37916615  0.19109836
   0.78683015  0.43816573  0.13655365
   0.67676375  0.17419157  0.37194488
   0.46046219  0.11849301  0.46540948
   0.69115939  0.07185276  0.54772568
   0.84465785  0.23930639  0.82757958
   0.61307708  0.32035621  0.54127960
   0.84742938  0.50881936  0.86315429
   0.99406315  0.45399959  0.65867369
   0.72436415  0.39152487  0.69891846
   0.78682929  0.08571775  0.97100359
   0.52824754  0.08231955  0.93580831
   0.56391101  0.54588605  0.04905445
   0.87871565  0.68762352  0.26866436
   0.54194764  0.80703882  0.04077961
   0.84499899  0.95838915  0.31582390
   0.92838379  0.88063428  0.13399529
   0.66871343  0.83680392  0.21567963
   0.83864415  0.69078655  0.46284121
   0.60189272  0.61451839  0.39270147
   0.67693868  0.58107149  0.57939642
   0.83551740  0.75156986  0.79198272
   0.60742819  0.83957658  0.48503129
   0.94440501  0.98983216  0.84258687
   0.98797048  0.84049987  0.66789961
   0.75791842  0.98758683  0.70916807
   0.76279651  0.70644053  0.97581352
   0.52580146  0.67468584  0.88095329
   0.76839304  0.82161951  0.61202094
   0.15203841  0.80001375  0.47062262
   0.91461591  0.25874076  0.05622215
   0.92278300  0.37378846  0.39547572
   0.35342746  0.09999587  0.62094989
   0.31789089  0.75455247  0.71618572
   0.18169187  1.12201556  0.14499923
   0.28534623  1.14687788  0.04999108
   0.62581555  0.40482326  0.87128702
   0.80332658  0.59273004  0.62521469
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872859    0.195200   -0.141765
    -0.000000    9.972113    0.179602
    -0.000000    0.000000   13.848232
   Si   O    H 
    32    64    10
Direct configuration=  2903
   0.19569010  0.21606613 -0.02256879
   0.34834867  0.09307086  0.38358937
   0.17012034  0.44998348  0.12271154
   0.41425739  0.33660593  0.25225036
   0.06659148  0.12638535  0.48840108
   0.41658126  0.12810983  0.84852068
   0.10963419  0.36222525  0.62168780
   0.37603036  0.36772468  0.74620629
   0.14553193  0.69805027  0.00058899
   0.44299073  0.58900161  0.37245182
   0.08951877  0.90700630  0.14376597
   0.32750674  0.83519583  0.26573035
   0.17526871  0.59415842  0.47955894
   0.37556561  0.62858220  0.85349671
   0.09787297  0.84699534  0.59112792
   0.37707190  0.98430454  0.67229038
   0.64633124  0.13394767  1.01320117
   0.82673068  0.12131297  0.32393544
   0.63664092  0.40788353  0.09830402
   0.90300396  0.32371810  0.15368617
   0.61636860  0.17751823  0.47593839
   0.90865704  0.12272657  0.90177275
   0.61690288  0.43694662  0.62134979
   0.75796278  0.38146186  0.81807814
   0.60639000  0.68535894 -0.01825984
   0.90861918  0.60137756  0.37543146
   0.56370074  0.89714010  0.13547721
   0.83259578  0.84065100  0.23476102
   0.66903074  0.69898956  0.47629435
   0.86925858  0.66537335  0.88746587
   0.67312119  0.94110397  0.61653597
   0.88633112  0.89346111  0.75212944
   0.09809729  0.06825316  0.14920683
   0.37833343  0.17826672  0.28588825
   0.19319143  0.36400346  0.02450352
   0.41800202  0.42979905  0.35224825
   0.55818215  0.34474931  0.19434771
   0.29889595  0.40005736  0.18409157
   0.20287547  0.13713440  0.42891498
  -0.04782310  0.18190370  0.41212732
   0.05136032 -0.03449258  0.51586822
   0.48688154  0.24349688  0.77483915
   0.06978823  0.20402044  0.58954962
   0.36138285  0.46452641  0.83688619
   0.46622846  0.45639571  0.66722403
   0.23452097  0.32933110  0.69630126
   0.28389819  0.20279241 -0.12262167
   0.05020518  0.17494845  0.94260252
   0.13140360  0.60660461  0.10326452
   0.38920696  0.69081260  0.28609846
   0.15418427  0.83541649  0.04799650
   0.34949269  0.92899538  0.35816917
   0.41080479  0.91833693  0.18199351
   0.17252808  0.83046439  0.23242317
   0.33083793  0.62598263  0.45217453
   0.07277388  0.61909865  0.38395572
   0.18643829  0.43782768  0.51324965
   0.28063900  0.67674091  0.75414951
   0.11984420  0.68812773  0.56488308
   0.36255772  0.99509920  0.78707799
   0.52398479  0.90651128  0.65579875
   0.25042630  0.88909636  0.62920515
   0.29348252  0.66773204 -0.04548198
   0.02417756  0.70075060  0.92079080
   0.61964901  0.03816978  0.10775429
   0.83928316  0.20060963  0.21973489
   0.65163641  0.29344334  0.01819549
   0.87082677  0.44288548  0.38780814
   0.05312582  0.37875733  0.19083857
   0.78636125  0.43911970  0.13695733
   0.67714354  0.17317150  0.37172796
   0.46131294  0.11707609  0.46551765
   0.69028276  0.07191580  0.54760588
   0.84508402  0.23724537  0.82663889
   0.61106598  0.31788302  0.54114950
   0.84804121  0.51012870  0.86273434
   0.99422277  0.45611582  0.65658242
   0.72244565  0.39184524  0.69917191
   0.78808190  0.08632567  0.97287036
   0.52832603  0.08430410  0.93718061
   0.56397233  0.54531977  0.04883492
   0.87953090  0.68845036  0.26911810
   0.54215072  0.80867544  0.04105440
   0.84572545  0.95725524  0.31686403
   0.92728549  0.87955822  0.13490390
   0.66783674  0.83865273  0.21482614
   0.83633578  0.68992749  0.46265614
   0.60316879  0.61636912  0.39331606
   0.68118088  0.58322830  0.58020416
   0.83364202  0.75167390  0.79277650
   0.60712436  0.84037988  0.48511399
   0.94504828  0.98923030  0.84271751
   0.98759067  0.83962168  0.66907470
   0.75677791  0.98814229  0.70981428
   0.75976501  0.70527130  0.97587239
   0.52647511  0.67495291  0.88168896
   0.76748751  0.82807927  0.60595725
   0.15128214  0.80490267  0.46610801
   0.91350249  0.26024204  0.05505166
   0.93057199  0.35732516  0.39552403
   0.34703797  0.10640789  0.61939848
   0.31457750  0.74498285  0.71369674
   0.17462831  1.12010223  0.14555895
   0.27771714  1.14977623  0.05263111
   0.62480707  0.40481607  0.86924864
   0.78424626  0.59386243  0.62251967
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871961    0.196328   -0.141589
    -0.000000    9.971326    0.178319
    -0.000000    0.000000   13.850069
   Si   O    H 
    32    64    10
Direct configuration=  2904
   0.19522764  0.21658157 -0.02247950
   0.34884885  0.09214845  0.38362074
   0.17091196  0.45050396  0.12337438
   0.41469812  0.33686900  0.25239384
   0.06396721  0.12662548  0.48906522
   0.41708461  0.12729203  0.84868141
   0.10837799  0.36221750  0.62230049
   0.37536575  0.36659349  0.74636247
   0.14430639  0.69850086  0.00095645
   0.44308336  0.59088076  0.37294856
   0.08903403  0.90759662  0.14353088
   0.32768175  0.83492507  0.26529844
   0.17607376  0.59519452  0.47905638
   0.37507869  0.62840321  0.85284340
   0.09824332  0.84668039  0.59068436
   0.37798800  0.98400943  0.67242125
   0.64511843  0.13297210  1.01356250
   0.82737098  0.12076574  0.32479156
   0.63688091  0.40841329  0.09876345
   0.90164836  0.32283516  0.15325244
   0.61656653  0.17713028  0.47553706
   0.91007075  0.12224710  0.90141407
   0.61689821  0.43528178  0.62269464
   0.75806676  0.38026732  0.81867789
   0.60537911  0.68564005 -0.01906853
   0.90940786  0.60261393  0.37464238
   0.56288522  0.89561644  0.13512502
   0.83134324  0.84054031  0.23537690
   0.66989806  0.69817174  0.47619866
   0.87064865  0.66773812  0.88788708
   0.67362970  0.94098576  0.61536549
   0.88825998  0.89396899  0.75265842
   0.09657003  0.06787345  0.14942830
   0.38023759  0.18045237  0.28572276
   0.19137288  0.36341190  0.02399929
   0.41842620  0.43001200  0.35191386
   0.55755957  0.34635488  0.19343167
   0.29864037  0.39955950  0.18379307
   0.20169148  0.13838487  0.42938231
  -0.04891861  0.18302939  0.41058415
   0.05047441 -0.03182354  0.51535985
   0.48839105  0.24331299  0.77493338
   0.06940976  0.20672166  0.58831338
   0.36128651  0.46417806  0.83763432
   0.46637428  0.45786525  0.66760673
   0.23469483  0.32917375  0.69696560
   0.28329643  0.20160108 -0.12232628
   0.04979374  0.17578621  0.94120179
   0.13131564  0.60821226  0.10276438
   0.38946873  0.69102006  0.28688649
   0.15607119  0.83628988  0.04836706
   0.34890628  0.92818005  0.35971816
   0.41175429  0.91819969  0.18112580
   0.17164931  0.83053244  0.23435998
   0.33192104  0.62613480  0.45142510
   0.07357630  0.61892477  0.38393984
   0.18622921  0.43802329  0.51380393
   0.28116616  0.67574772  0.75329582
   0.11956154  0.68792109  0.56439846
   0.36387556  0.99490495  0.78777764
   0.52471271  0.90534029  0.65506234
   0.25023893  0.88877762  0.62831156
   0.29208333  0.66715995 -0.04489301
   0.02442810  0.70015837  0.92043433
   0.62204825  0.03960907  0.10777620
   0.84025963  0.20061638  0.22051021
   0.65155454  0.29160641  0.01769480
   0.87140069  0.44453886  0.38732747
   0.05354515  0.37849424  0.19040397
   0.78613794  0.44047396  0.13753647
   0.67768317  0.17196192  0.37134629
   0.46265362  0.11579713  0.46599273
   0.68946245  0.07160958  0.54739578
   0.84528197  0.23514165  0.82565124
   0.60919801  0.31515439  0.54069548
   0.84871292  0.51089278  0.86245066
   0.99474080  0.45807764  0.65501602
   0.72180100  0.39213020  0.69990597
   0.78977232  0.08777571  0.97470313
   0.52859353  0.08602639  0.93829589
   0.56415640  0.54465032  0.04884243
   0.88002179  0.68838915  0.26941430
   0.54237057  0.80962063  0.04145821
   0.84651188  0.95664775  0.31804742
   0.92663822  0.87901670  0.13599968
   0.66731820  0.83976237  0.21417332
   0.83376316  0.68906402  0.46276436
   0.60419900  0.61790227  0.39283579
   0.68474780  0.58591854  0.58105535
   0.83133993  0.75243221  0.79386915
   0.60631528  0.84120013  0.48521425
   0.94586636  0.98905639  0.84253180
   0.98661210  0.83902812  0.67003613
   0.75691000  0.98895196  0.71076945
   0.75766928  0.70337322  0.97551336
   0.52676689  0.67568725  0.88222614
   0.76605247  0.83506466  0.59975684
   0.15084951  0.80866329  0.46299134
   0.91449976  0.26703309  0.05670226
   0.93511300  0.34669774  0.39449079
   0.34257852  0.11486907  0.61841828
   0.31389719  0.74211885  0.70941851
   0.17627402  1.12250291  0.14988795
   0.26961141  1.14483963  0.05608130
   0.62428014  0.40322716  0.86578220
   0.75080695  0.59527628  0.61581640
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871689    0.197637   -0.141543
    -0.000000    9.970482    0.177469
    -0.000000    0.000000   13.851835
   Si   O    H 
    32    64    10
Direct configuration=  2905
   0.19478811  0.21757513 -0.02257700
   0.34906619  0.09072590  0.38377970
   0.17154758  0.45084875  0.12423590
   0.41501246  0.33620570  0.25280013
   0.06147885  0.12723528  0.48961554
   0.41845821  0.12627920  0.84868401
   0.10785461  0.36195988  0.62261360
   0.37543405  0.36681920  0.74687663
   0.14303759  0.69851760  0.00138212
   0.44327894  0.59263671  0.37343361
   0.08847530  0.90771944  0.14313197
   0.32728240  0.83627715  0.26519113
   0.17720004  0.59604066  0.47879772
   0.37378690  0.62806065  0.85227668
   0.09878022  0.84685160  0.59007611
   0.37809673  0.98325856  0.67232069
   0.64397164  0.13189195  1.01442847
   0.82755332  0.12049004  0.32556887
   0.63697732  0.40941230  0.09929633
   0.90044978  0.32205273  0.15267415
   0.61609648  0.17676522  0.47604161
   0.91144994  0.12201947  0.90069214
   0.61638886  0.43362191  0.62402240
   0.75745453  0.37921402  0.81936228
   0.60415631  0.68527741 -0.01923398
   0.90996487  0.60418027  0.37418357
   0.56249740  0.89419012  0.13421247
   0.83032985  0.84027367  0.23598890
   0.67083376  0.69866621  0.47598434
   0.87155888  0.66965074  0.88850315
   0.67485821  0.94107264  0.61417524
   0.88920067  0.89500166  0.75324174
   0.09494191  0.06709327  0.14971018
   0.38153429  0.18271115  0.28589991
   0.18953066  0.36317372  0.02378852
   0.41872163  0.42983073  0.35148451
   0.55739868  0.34836460  0.19218389
   0.29768202  0.39916795  0.18344719
   0.20113067  0.13960523  0.42947628
  -0.05133015  0.18377964  0.40872490
   0.04947070 -0.02871622  0.51480680
   0.48906003  0.24269927  0.77511636
   0.06843380  0.20944911  0.58753207
   0.36087912  0.46360221  0.83833107
   0.46578684  0.45889309  0.66671863
   0.23483761  0.32892231  0.69836770
   0.28233645  0.20003982 -0.12182610
   0.04845622  0.17626322  0.94001635
   0.13126319  0.60975691  0.10186302
   0.38991630  0.69046251  0.28801750
   0.15826829  0.83797943  0.04865868
   0.34820995  0.92768831  0.36146171
   0.41239611  0.91806774  0.18035365
   0.17101717  0.83094273  0.23632317
   0.33306911  0.62632483  0.45131057
   0.07472365  0.61861642  0.38416671
   0.18565056  0.43726737  0.51486094
   0.28176455  0.67458016  0.75285564
   0.11913931  0.68768128  0.56378111
   0.36424609  0.99483875  0.78914056
   0.52433682  0.90409501  0.65422559
   0.25006046  0.88846669  0.62728607
   0.29130717  0.66592407 -0.04473324
   0.02419473  0.69933498  0.92020656
   0.62367352  0.04066612  0.10778532
   0.84191597  0.20109897  0.22127670
   0.65127386  0.28960027  0.01769669
   0.87190493  0.44585186  0.38682328
   0.05348441  0.37831953  0.18937993
   0.78664529  0.44194554  0.13793146
   0.67874789  0.17100198  0.37098192
   0.46354166  0.11552495  0.46600313
   0.68935568  0.07126025  0.54757065
   0.84563671  0.23415835  0.82440936
   0.60785512  0.31294641  0.53992580
   0.84863217  0.51204211  0.86156191
   0.99547672  0.45978728  0.65374597
   0.72191009  0.39233629  0.70067162
   0.79160863  0.08857307  0.97631720
   0.52832247  0.08662550  0.93850948
   0.56471194  0.54405784  0.04885521
   0.88109137  0.68876516  0.27019674
   0.54238093  0.81027095  0.04162767
   0.84732952  0.95594120  0.31937985
   0.92587151  0.87873787  0.13701513
   0.66726245  0.84110844  0.21411343
   0.83088919  0.68744423  0.46281606
   0.60443323  0.61895876  0.39177874
   0.68567395  0.58742964  0.58076776
   0.82951322  0.75389819  0.79499642
   0.60522754  0.84215923  0.48526121
   0.94593601  0.98939627  0.84212073
   0.98551963  0.83865606  0.67119670
   0.75734496  0.98973042  0.71131894
   0.75638592  0.70201741  0.97466017
   0.52665537  0.67601191  0.88220523
   0.76832259  0.83531077  0.59291980
   0.15189563  0.81121259  0.46189486
   0.91353335  0.27374119  0.05757794
   0.93114347  0.34767113  0.39251820
   0.34264232  0.11909863  0.61989610
   0.31590902  0.74068552  0.70339539
   0.17893777  1.12376621  0.15312601
   0.25997591  1.13476753  0.05611298
   0.62735698  0.40143456  0.86417171
   0.76503697  0.60592183  0.62847242
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871496    0.199079   -0.141496
    -0.000000    9.969361    0.176268
    -0.000000    0.000000   13.853480
   Si   O    H 
    32    64    10
Direct configuration=  2906
   0.19416616  0.21864327 -0.02283469
   0.34890374  0.08950082  0.38388828
   0.17233760  0.45123330  0.12496384
   0.41516567  0.33577709  0.25305703
   0.05907280  0.12787031  0.48981196
   0.42013705  0.12503537  0.84834048
   0.10736915  0.36262672  0.62250979
   0.37561852  0.36753208  0.74713255
   0.14189186  0.69840370  0.00160569
   0.44325011  0.59434278  0.37365762
   0.08811567  0.90741829  0.14306562
   0.32727507  0.83806198  0.26464799
   0.17872811  0.59662101  0.47887119
   0.37219262  0.62818010  0.85160923
   0.09911057  0.84721382  0.58928569
   0.37784081  0.98204542  0.67198808
   0.64243176  0.13067213  1.01499121
   0.82734045  0.12036939  0.32623860
   0.63730002  0.41044478  0.09951764
   0.89997886  0.32103590  0.15255385
   0.61530860  0.17610066  0.47664942
   0.91213443  0.12207528  0.90013380
   0.61565135  0.43219389  0.62468321
   0.75667390  0.37909345  0.81975238
   0.60273618  0.68443875 -0.01868329
   0.91136594  0.60596100  0.37412403
   0.56250181  0.89311499  0.13390531
   0.82960197  0.83995096  0.23675786
   0.67185711  0.69969262  0.47589780
   0.87160812  0.67149442  0.88893671
   0.67614141  0.94154724  0.61316783
   0.88999055  0.89621586  0.75357291
   0.09357415  0.06688632  0.15038779
   0.38242529  0.18484296  0.28599183
   0.18793749  0.36311370  0.02377507
   0.41886264  0.42999312  0.35085524
   0.55734990  0.35044225  0.19191735
   0.29717385  0.39921881  0.18376906
   0.20034887  0.14065984  0.42896436
  -0.05312102  0.18421437  0.40691889
   0.04791320 -0.02641834  0.51443353
   0.48944306  0.24191455  0.77578687
   0.06728563  0.21231564  0.58676146
   0.36073375  0.46408257  0.83943028
   0.46537539  0.46005135  0.66624218
   0.23437537  0.32826632  0.69950453
   0.28089598  0.19922085 -0.12105871
   0.04745962  0.17662932  0.93883722
   0.13165027  0.61029828  0.10138895
   0.39066293  0.69034878  0.28867368
   0.16020259  0.84024371  0.04919104
   0.34793873  0.92786711  0.36230588
   0.41250794  0.91845347  0.17954815
   0.16952960  0.83186424  0.23789556
   0.33469771  0.62670267  0.45157516
   0.07592275  0.61880079  0.38446852
   0.18455759  0.43720704  0.51617419
   0.28225863  0.67365331  0.75195655
   0.11823763  0.68669873  0.56302409
   0.36504313  0.99492531  0.79075005
   0.52349982  0.90279464  0.65303104
   0.24928193  0.88855723  0.62681212
   0.29086626  0.66433196 -0.04472872
   0.02450585  0.69905178  0.91988597
   0.62529530  0.04210092  0.10786950
   0.84291242  0.20145182  0.22219021
   0.64983152  0.28853252  0.01823737
   0.87298076  0.44719107  0.38656378
   0.05317530  0.37686339  0.18834525
   0.78717552  0.44300633  0.13840352
   0.67900713  0.16962083  0.37054251
   0.46419967  0.11555875  0.46579606
   0.68957052  0.07047548  0.54781047
   0.84640838  0.23375132  0.82310978
   0.60642177  0.31135370  0.53935418
   0.84871589  0.51345984  0.86039246
   0.99550257  0.46198023  0.65285677
   0.72305448  0.39111083  0.70183503
   0.79357394  0.08848214  0.97774316
   0.52782305  0.08694017  0.93858487
   0.56570109  0.54344470  0.04847224
   0.88183896  0.68948973  0.27123301
   0.54199549  0.81035617  0.04145431
   0.84800392  0.95594285  0.32041812
   0.92415214  0.87781831  0.13756684
   0.66685467  0.84321983  0.21434722
   0.82833335  0.68551441  0.46275663
   0.60410692  0.61950290  0.39056117
   0.68610280  0.58838553  0.58050752
   0.82820874  0.75544449  0.79559730
   0.60368690  0.84288633  0.48488047
   0.94539935  0.98926202  0.84115084
   0.98414558  0.83906158  0.67265789
   0.75787570  0.98983237  0.71246016
   0.75599265  0.69985880  0.97406821
   0.52600320  0.67627530  0.88190161
   0.77211281  0.83347134  0.58737042
   0.15515585  0.81092317  0.45843467
   0.91424793  0.27914977  0.05523379
   0.92378269  0.35939053  0.38839614
   0.34363996  0.11960260  0.62313262
   0.31364652  0.73408228  0.69997746
   0.17428422  1.11998630  0.15725275
   0.25250402  1.12807059  0.05525869
   0.62791785  0.40132382  0.86139170
   0.77523861  0.61819679  0.63444412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870813    0.200190   -0.141060
    -0.000000    9.967695    0.174752
    -0.000000    0.000000   13.855270
   Si   O    H 
    32    64    10
Direct configuration=  2907
   0.19345817  0.21960616 -0.02321950
   0.34905330  0.08864676  0.38401846
   0.17313791  0.45112807  0.12576645
   0.41545281  0.33565930  0.25368277
   0.05687770  0.12863515  0.48940294
   0.42150044  0.12413347  0.84786803
   0.10744319  0.36305199  0.62208314
   0.37617997  0.36847552  0.74741645
   0.14102174  0.69847514  0.00188989
   0.44356438  0.59582803  0.37392011
   0.08809961  0.90665552  0.14312959
   0.32743751  0.83948348  0.26376161
   0.18094894  0.59667429  0.47902098
   0.37040921  0.62894681  0.85088647
   0.09909978  0.84742846  0.58876976
   0.37767467  0.98099150  0.67174602
   0.64232616  0.12963280  1.01540497
   0.82689940  0.12059009  0.32702292
   0.63722785  0.41126280  0.09987254
   0.89932811  0.32002623  0.15230826
   0.61468944  0.17572624  0.47743533
   0.91271786  0.12176206  0.89980488
   0.61494762  0.43098720  0.62445542
   0.75691276  0.37878254  0.82017913
   0.60145536  0.68352826 -0.01771214
   0.91233674  0.60752954  0.37411800
   0.56215400  0.89316394  0.13370108
   0.82893430  0.83943847  0.23737321
   0.67303418  0.70050344  0.47615247
   0.87117068  0.67244718  0.88953945
   0.67678577  0.94177139  0.61168610
   0.89113464  0.89749323  0.75448916
   0.09231297  0.06664682  0.15065615
   0.38266398  0.18675282  0.28607825
   0.18618825  0.36385417  0.02376305
   0.41915690  0.43082223  0.35027653
   0.55683160  0.35213775  0.19242346
   0.29709406  0.39928559  0.18411389
   0.19950795  0.14154458  0.42844793
  -0.05551297  0.18495025  0.40527351
   0.04590105 -0.02469880  0.51515626
   0.49022538  0.24175233  0.77620849
   0.06624031  0.21372905  0.58618676
   0.36122361  0.46383269  0.84075982
   0.46473702  0.46036024  0.66565080
   0.23348774  0.32765454  0.70089951
   0.27983943  0.19897574 -0.12031210
   0.04644398  0.17733384  0.93761423
   0.13184151  0.61001224  0.10127392
   0.39056739  0.69079556  0.28882451
   0.16273073  0.84276063  0.04952811
   0.34732919  0.92794158  0.36310031
   0.41295477  0.91880285  0.17864196
   0.16754945  0.83251949  0.23970515
   0.33625476  0.62701049  0.45166592
   0.07737531  0.61894422  0.38481393
   0.18301810  0.43712055  0.51727622
   0.28270469  0.67290156  0.75189666
   0.11712796  0.68668130  0.56274177
   0.36569356  0.99439847  0.79187160
   0.52293093  0.90188918  0.65196262
   0.24945240  0.88841910  0.62685059
   0.29004481  0.66281579 -0.04466379
   0.02500463  0.69925086  0.92045284
   0.62580446  0.04298075  0.10882060
   0.84385842  0.20115162  0.22246578
   0.64826703  0.28852763  0.01919365
   0.87385994  0.44850918  0.38600634
   0.05253016  0.37583148  0.18683516
   0.78816408  0.44348029  0.13897248
   0.67966568  0.16807779  0.36974992
   0.46498219  0.11614566  0.46547105
   0.68938436  0.06956854  0.54829558
   0.84626067  0.23448114  0.82150011
   0.60488642  0.31044294  0.53877557
   0.84827766  0.51447297  0.85963061
   0.99510031  0.46359576  0.65183860
   0.72352001  0.38957240  0.70298457
   0.79611985  0.08853824  0.97974723
   0.52709800  0.08711893  0.93934219
   0.56707195  0.54317717  0.04739051
   0.88281250  0.69083940  0.27226416
   0.54097247  0.80990838  0.04097830
   0.84819443  0.95664523  0.32057950
   0.92249098  0.87631344  0.13763938
   0.66722325  0.84456042  0.21477040
   0.82686716  0.68401909  0.46238221
   0.60380169  0.61914574  0.38938120
   0.68699239  0.58898566  0.58080321
   0.82689961  0.75781482  0.79609317
   0.60297171  0.84372276  0.48463206
   0.94511909  0.98923797  0.84028199
   0.98297199  0.83931024  0.67309829
   0.75931034  0.98922643  0.71366439
   0.75627363  0.69790840  0.97343819
   0.52549027  0.67756636  0.88121428
   0.77458335  0.82764069  0.58338147
   0.16008718  0.81159087  0.45469835
   0.91351380  0.28070854  0.05172547
   0.91597460  0.37189200  0.38406119
   0.34977957  0.11611296  0.62626283
   0.30741604  0.72547894  0.70059144
   0.17164229  1.11225928  0.16273584
   0.24936501  1.12383797  0.04983508
   0.62264421  0.40018811  0.86020189
   0.77974521  0.62858686  0.63058317
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870275    0.200966   -0.140875
    -0.000000    9.966089    0.172983
    -0.000000    0.000000   13.857261
   Si   O    H 
    32    64    10
Direct configuration=  2908
   0.19322392  0.22024367 -0.02363977
   0.34902353  0.08828871  0.38466116
   0.17348576  0.45144720  0.12592653
   0.41568889  0.33596766  0.25423076
   0.05485457  0.12984085  0.48920104
   0.42239235  0.12341598  0.84776942
   0.10749944  0.36376742  0.62168321
   0.37687236  0.36936930  0.74728882
   0.14068733  0.69884437  0.00194366
   0.44381183  0.59649950  0.37442217
   0.08782274  0.90610627  0.14363926
   0.32768588  0.84042923  0.26310147
   0.18272358  0.59605678  0.47945395
   0.36804595  0.63011655  0.85030916
   0.09937586  0.84733740  0.58829436
   0.37749267  0.98054026  0.67129575
   0.64262457  0.12818015  1.01538598
   0.82640537  0.12099929  0.32776013
   0.63721850  0.41186643  0.09993414
   0.89866260  0.31895636  0.15200868
   0.61410801  0.17498063  0.47820427
   0.91332542  0.12148621  0.89962228
   0.61394199  0.43005809  0.62381643
   0.75717263  0.37865723  0.82067252
   0.59975705  0.68216822 -0.01638603
   0.91283572  0.60902452  0.37423530
   0.56169663  0.89288962  0.13376457
   0.82866228  0.83896478  0.23791439
   0.67425565  0.70126587  0.47668084
   0.87059397  0.67290743  0.88998055
   0.67692284  0.94225145  0.61083589
   0.89122811  0.89834809  0.75545525
   0.09062963  0.06663142  0.15118927
   0.38206098  0.18727828  0.28664577
   0.18381933  0.36553005  0.02386204
   0.42010606  0.43147378  0.34974099
   0.55624080  0.35427752  0.19291605
   0.29763540  0.39965929  0.18465943
   0.19909157  0.14169912  0.42771897
  -0.05796012  0.18570359  0.40363319
   0.04380198 -0.02382337  0.51607071
   0.49041693  0.24251620  0.77641019
   0.06517875  0.21440715  0.58537442
   0.36177255  0.46350508  0.84135522
   0.46539859  0.46033440  0.66476008
   0.23224001  0.32722821  0.70230512
   0.27902498  0.19904510 -0.11969581
   0.04600670  0.17757582  0.93597678
   0.13243807  0.60943376  0.10146913
   0.39071043  0.69164662  0.28846825
   0.16617431  0.84596028  0.05006722
   0.34739048  0.92867575  0.36347522
   0.41315674  0.91878955  0.17788606
   0.16551945  0.83320629  0.24057443
   0.33674871  0.62757622  0.45177142
   0.07815918  0.61865433  0.38498604
   0.18165140  0.43755119  0.51856583
   0.28315410  0.67253636  0.75248503
   0.11662952  0.68724533  0.56251151
   0.36568800  0.99311352  0.79249877
   0.52252708  0.90112849  0.65183114
   0.24956151  0.88825348  0.62642232
   0.28816802  0.66176183 -0.04475650
   0.02524398  0.69908196  0.92135987
   0.62611769  0.04302833  0.11033062
   0.84511635  0.20045321  0.22292794
   0.64659665  0.28922497  0.01954977
   0.87326308  0.45187658  0.38555219
   0.05109171  0.37411424  0.18519603
   0.78932242  0.44478519  0.13953520
   0.68034398  0.16628582  0.36912203
   0.46527844  0.11687069  0.46473210
   0.68912622  0.07003816  0.54865331
   0.84548827  0.23588671  0.82003613
   0.60315249  0.31004092  0.53819751
   0.84812459  0.51473535  0.85871067
   0.99478272  0.46508905  0.65078070
   0.72374313  0.38788472  0.70455670
   0.79856369  0.08895897  0.98162516
   0.52611362  0.08816000  0.93982172
   0.56808956  0.54246680  0.04652788
   0.88436743  0.69271667  0.27346303
   0.54042250  0.80912047  0.04078595
   0.84846398  0.95762553  0.31965725
   0.92093988  0.87437729  0.13751240
   0.66762733  0.84463051  0.21599541
   0.82693744  0.68242090  0.46207496
   0.60287228  0.61851105  0.38802568
   0.68844050  0.58970218  0.58116343
   0.82551851  0.75989959  0.79623325
   0.60195972  0.84455272  0.48451517
   0.94611854  0.98947679  0.83946836
   0.98269564  0.83933058  0.67340645
   0.76015323  0.98895889  0.71468378
   0.75675401  0.69608970  0.97234490
   0.52518374  0.67919762  0.88038990
   0.77810834  0.82470094  0.58262277
   0.16754403  0.81357734  0.44706846
   0.91195830  0.28385953  0.04937503
   0.92457200  0.35594689  0.37940552
   0.35613271  0.11078888  0.62908086
   0.30506815  0.72693818  0.69322699
   0.17611429  1.10820007  0.16799348
   0.24776641  1.11942775  0.04673435
   0.61772335  0.39683079  0.85994897
   0.77297690  0.63157267  0.62038596
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869673    0.201465   -0.140067
    -0.000000    9.964585    0.171695
    -0.000000    0.000000   13.859029
   Si   O    H 
    32    64    10
Direct configuration=  2909
   0.19294584  0.22101984 -0.02449279
   0.34893235  0.08857385  0.38529017
   0.17329417  0.45156054  0.12605308
   0.41570093  0.33662942  0.25506473
   0.05275932  0.13063425  0.48862460
   0.42236447  0.12306649  0.84778387
   0.10755634  0.36486833  0.62116399
   0.37756520  0.37096413  0.74727555
   0.14013619  0.69877299  0.00224552
   0.44421593  0.59738477  0.37458657
   0.08700339  0.90519460  0.14425170
   0.32771516  0.84136709  0.26244437
   0.18404742  0.59471220  0.47974010
   0.36608141  0.63068714  0.84959371
   0.10020805  0.84724574  0.58746338
   0.37751851  0.97984052  0.67110908
   0.64280874  0.12713887  1.01524738
   0.82562409  0.12068044  0.32816286
   0.63685452  0.41235703  0.09980198
   0.89812331  0.31838899  0.15143991
   0.61361553  0.17390803  0.47905560
   0.91281160  0.12171326  0.89913446
   0.61360414  0.42864593  0.62295877
   0.75746503  0.37861756  0.82110474
   0.59752974  0.68073193 -0.01451168
   0.91273566  0.61009407  0.37447223
   0.56189974  0.89249966  0.13409471
   0.82895804  0.83805973  0.23853165
   0.67544901  0.70220325  0.47700418
   0.86931749  0.67279317  0.89009615
   0.67678409  0.94258863  0.60992434
   0.89008102  0.89908139  0.75644397
   0.08839312  0.06679922  0.15177677
   0.38138502  0.18730154  0.28720481
   0.18096965  0.36783406  0.02392896
   0.42137500  0.43282062  0.34891379
   0.55531160  0.35625941  0.19327052
   0.29910047  0.40024148  0.18619639
   0.19851803  0.14187179  0.42738452
  -0.06000605  0.18597021  0.40219093
   0.04176456 -0.02408945  0.51680855
   0.48973199  0.24347842  0.77683691
   0.06392527  0.21528347  0.58453387
   0.36258572  0.46254260  0.84205718
   0.46587400  0.46040237  0.66412804
   0.23069303  0.32675234  0.70304748
   0.27791725  0.19866142 -0.11948756
   0.04555730  0.17804220  0.93442695
   0.13315418  0.60864766  0.10187840
   0.39116899  0.69346767  0.28790971
   0.16886355  0.84921448  0.05010114
   0.34667635  0.92897743  0.36381384
   0.41360264  0.91862039  0.17695430
   0.16400947  0.83353217  0.24124009
   0.33669743  0.62824145  0.45223170
   0.07811760  0.61815750  0.38477510
   0.18061853  0.43855328  0.51937432
   0.28463161  0.67293754  0.75274131
   0.11544558  0.68860074  0.56154233
   0.36628840  0.99273057  0.79307119
   0.52141206  0.90146273  0.65163877
   0.25067529  0.88820346  0.62641469
   0.28624654  0.66120164 -0.04481691
   0.02548263  0.69890963  0.92184085
   0.62585881  0.04242438  0.11163662
   0.84544791  0.19937046  0.22328122
   0.64607954  0.29089472  0.02042285
   0.87347487  0.45411913  0.38457436
   0.04972892  0.37332316  0.18407241
   0.79058507  0.44611514  0.14006812
   0.68118585  0.16429813  0.36842607
   0.46480048  0.11726722  0.46435566
   0.68941597  0.07171192  0.54861493
   0.84481724  0.23681280  0.81905316
   0.60095161  0.31055062  0.53790866
   0.84860775  0.51498927  0.85769357
   0.99461823  0.46629880  0.64999612
   0.72463667  0.38589786  0.70582442
   0.80116303  0.08969067  0.98391538
   0.52538557  0.08980062  0.93980369
   0.56887174  0.54173107  0.04592310
   0.88650856  0.69468986  0.27431026
   0.53983471  0.80838316  0.04102233
   0.84938121  0.95738460  0.31887957
   0.91926183  0.87319167  0.13763397
   0.66819428  0.84481279  0.21684583
   0.82793939  0.68101604  0.46080966
   0.60224516  0.61819774  0.38708416
   0.68983567  0.59084516  0.58174501
   0.82348304  0.76203191  0.79624304
   0.60062669  0.84603495  0.48485639
   0.94715581  0.98959051  0.83905890
   0.98243216  0.83968058  0.67386835
   0.76119275  0.98734266  0.71485785
   0.75756875  0.69437026  0.97099244
   0.52493777  0.68090240  0.87903530
   0.77670673  0.82337337  0.58290517
   0.17459198  0.81304729  0.43737617
   0.91136247  0.28500048  0.04865996
   0.92980486  0.34988915  0.37754286
   0.36072899  0.10609691  0.63201318
   0.30696297  0.72720395  0.69459268
   0.18128253  1.10032974  0.17360778
   0.24770503  1.11982062  0.04382242
   0.61651382  0.39351167  0.86150122
   0.75767205  0.62717783  0.60849424
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869430    0.202044   -0.139082
    -0.000000    9.962883    0.170106
    -0.000000    0.000000   13.860673
   Si   O    H 
    32    64    10
Direct configuration=  2910
   0.19210171  0.22186242 -0.02552719
   0.34807521  0.08894867  0.38570818
   0.17277672  0.45174150  0.12633028
   0.41551950  0.33793420  0.25604684
   0.05097411  0.13089187  0.48760629
   0.42263003  0.12312500  0.84802513
   0.10786537  0.36629735  0.62028942
   0.37838017  0.37221751  0.74725576
   0.13998403  0.69831198  0.00238276
   0.44410487  0.59735359  0.37479527
   0.08641941  0.90404420  0.14510012
   0.32813597  0.84263674  0.26170651
   0.18471866  0.59389397  0.48005332
   0.36425850  0.63133419  0.84878658
   0.09993340  0.84741727  0.58672056
   0.37746640  0.97836055  0.67113095
   0.64406537  0.12658847  1.01495592
   0.82446422  0.11976576  0.32797744
   0.63664384  0.41187731  0.09972345
   0.89821432  0.31731322  0.15069420
   0.61371792  0.17273964  0.48000962
   0.91225895  0.12180337  0.89811466
   0.61307551  0.42731550  0.62204318
   0.75784888  0.37927380  0.82113059
   0.59541250  0.67919140 -0.01307650
   0.91246402  0.61072097  0.37478323
   0.56235978  0.89206067  0.13435335
   0.82928975  0.83725845  0.23967468
   0.67609771  0.70288669  0.47748433
   0.86856187  0.67236243  0.89002637
   0.67658420  0.94251404  0.60929335
   0.88841150  0.89951639  0.75713256
   0.08645550  0.06697885  0.15212087
   0.38072482  0.18673935  0.28804327
   0.17819224  0.37091568  0.02466071
   0.42187131  0.43407739  0.34827734
   0.55374873  0.35801656  0.19357930
   0.30100980  0.40116847  0.18737795
   0.19833030  0.14223864  0.42767802
  -0.06143848  0.18607429  0.40088611
   0.04001206 -0.02569441  0.51775832
   0.48800783  0.24441996  0.77698734
   0.06299634  0.21615753  0.58323389
   0.36338358  0.46217714  0.84253123
   0.46632166  0.46063860  0.66368965
   0.22897456  0.32602392  0.70357146
   0.27773257  0.19824392 -0.11995421
   0.04586752  0.17907642  0.93376996
   0.13285197  0.60823383  0.10175296
   0.39173225  0.69571953  0.28755086
   0.17178934  0.85191728  0.04990265
   0.34586028  0.92827824  0.36391914
   0.41235960  0.91783693  0.17651613
   0.16282059  0.83271776  0.24222191
   0.33634619  0.62850439  0.45275832
   0.07757839  0.61796438  0.38421727
   0.18007552  0.43896195  0.51983833
   0.28614294  0.67217875  0.75282064
   0.11425208  0.68971102  0.56048099
   0.36743781  0.99258352  0.79273834
   0.52102599  0.90230523  0.65180179
   0.25190592  0.88733613  0.62647108
   0.28450859  0.66034672 -0.04483388
   0.02582689  0.69838666  0.92227909
   0.62518734  0.04198748  0.11335751
   0.84552997  0.19833694  0.22404637
   0.64583210  0.29184081  0.02142732
   0.87384187  0.45564228  0.38367078
   0.04752063  0.37341019  0.18317248
   0.79141291  0.44690499  0.14092681
   0.68155522  0.16147013  0.36816659
   0.46366624  0.11797682  0.46369092
   0.69022835  0.07358260  0.54827110
   0.84413447  0.23705696  0.81848846
   0.59964788  0.31158384  0.53828151
   0.84924323  0.51502106  0.85659582
   0.99380000  0.46725126  0.64972351
   0.72586373  0.38459990  0.70699850
   0.80276022  0.09021203  0.98595784
   0.52360435  0.09182548  0.93904510
   0.56945411  0.54079248  0.04558568
   0.88814991  0.69682100  0.27503181
   0.53906764  0.80769669  0.04058524
   0.85022081  0.95763480  0.31836901
   0.91740818  0.87197047  0.13812991
   0.66783662  0.84373899  0.21741652
   0.82979822  0.67969739  0.45945426
   0.60178332  0.61780741  0.38622465
   0.68884337  0.59042197  0.58158592
   0.82213579  0.76445177  0.79604851
   0.59941014  0.84683870  0.48476721
   0.94785504  0.98949832  0.83874037
   0.98294639  0.83938120  0.67407490
   0.76068641  0.98563949  0.71489434
   0.75840799  0.69307838  0.97034929
   0.52464837  0.68243747  0.87744851
   0.77062033  0.82124710  0.58874762
   0.17951961  0.81235120  0.43058472
   0.91235423  0.28245460  0.04978512
   0.92520690  0.35454380  0.37629231
   0.36372990  0.10937498  0.63319280
   0.30396083  0.72946690  0.69998608
   0.17611634  1.09035096  0.17341591
   0.24943465  1.11578212  0.04015452
   0.62082868  0.38944065  0.86510194
   0.77643419  0.63586333  0.61346669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869443    0.201832   -0.137660
    -0.000000    9.960870    0.169115
    -0.000000    0.000000   13.862169
   Si   O    H 
    32    64    10
Direct configuration=  2911
   0.19113581  0.22243983 -0.02649119
   0.34699283  0.08912016  0.38634015
   0.17214965  0.45207846  0.12657991
   0.41537532  0.33862157  0.25731780
   0.04915619  0.13151646  0.48682213
   0.42289576  0.12316298  0.84772723
   0.10833849  0.36751457  0.61914937
   0.37919131  0.37361225  0.74755037
   0.14034593  0.69860443  0.00223117
   0.44427584  0.59727884  0.37460727
   0.08526013  0.90301157  0.14614619
   0.32868406  0.84348978  0.26111543
   0.18474720  0.59250578  0.48039649
   0.36267661  0.63127661  0.84836348
   0.09905694  0.84717979  0.58569403
   0.37772294  0.97688785  0.67093110
   0.64492211  0.12681279  1.01477609
   0.82371391  0.11900805  0.32817022
   0.63684586  0.41136260  0.09978610
   0.89838817  0.31742749  0.14979385
   0.61339784  0.17153275  0.48097142
   0.91090908  0.12157356  0.89705253
   0.61325158  0.42572941  0.62158917
   0.75829493  0.38000394  0.82117133
   0.59313635  0.67770419 -0.01247365
   0.91247969  0.61124345  0.37522935
   0.56305351  0.89219454  0.13455277
   0.82941238  0.83694412  0.24076354
   0.67610890  0.70312835  0.47749764
   0.86749936  0.67127902  0.88994346
   0.67682262  0.94217365  0.60882167
   0.88641013  0.89982697  0.75781169
   0.08506162  0.06732276  0.15238950
   0.37922364  0.18674213  0.28878204
   0.17562619  0.37368683  0.02547184
   0.42264754  0.43519001  0.34813661
   0.55282344  0.36002524  0.19364236
   0.30236778  0.40218518  0.18812823
   0.19801646  0.14241704  0.42861591
  -0.06275098  0.18559701  0.39987585
   0.03911100 -0.02751486  0.51862652
   0.48561138  0.24390947  0.77729546
   0.06180357  0.21724745  0.58228312
   0.36430799  0.46138312  0.84297694
   0.46656769  0.46094092  0.66279384
   0.22798016  0.32531750  0.70348336
   0.27781387  0.19827618 -0.12058461
   0.04710147  0.18017385  0.93354183
   0.13180168  0.60762811  0.10217593
   0.39222316  0.69836331  0.28725921
   0.17402047  0.85437848  0.04999862
   0.34575882  0.92737977  0.36384962
   0.41148919  0.91655728  0.17655180
   0.16158166  0.83264472  0.24371409
   0.33592670  0.62917455  0.45375642
   0.07826620  0.61715360  0.38410878
   0.17951674  0.43865673  0.52045582
   0.28727087  0.67096964  0.75288309
   0.11299995  0.69126831  0.55958920
   0.36862154  0.99288588  0.79159476
   0.52094614  0.90332747  0.65256771
   0.25246933  0.88641417  0.62671160
   0.28220117  0.65970809 -0.04522301
   0.02543945  0.69787136  0.92206151
   0.62479329  0.04242852  0.11555397
   0.84485618  0.19764557  0.22462590
   0.64551618  0.29303763  0.02202448
   0.87445248  0.45564133  0.38266163
   0.04510199  0.37315983  0.18311336
   0.79172172  0.44780820  0.14194970
   0.68204222  0.15870031  0.36799513
   0.46256465  0.11807663  0.46259506
   0.69165867  0.07551026  0.54836872
   0.84383536  0.23717601  0.81817666
   0.59789425  0.31286168  0.53839811
   0.85000274  0.51574366  0.85459854
   0.99295711  0.46818083  0.64916228
   0.72689847  0.38341691  0.70728611
   0.80544541  0.09024172  0.98758558
   0.52198271  0.09383328  0.93785549
   0.57028176  0.53970387  0.04627370
   0.88923706  0.69764932  0.27622012
   0.53775335  0.80754061  0.03993536
   0.85158478  0.95783084  0.31806447
   0.91588610  0.87100883  0.13863179
   0.66788839  0.84268605  0.21802443
   0.83239497  0.67872399  0.45815999
   0.60214585  0.61840506  0.38552168
   0.68766301  0.59047885  0.58160722
   0.82093196  0.76717182  0.79600746
   0.59914622  0.84699587  0.48486587
   0.94928299  0.98897056  0.83918558
   0.98387011  0.83918147  0.67416395
   0.75907233  0.98380820  0.71464997
   0.75886920  0.69215895  0.97022738
   0.52324833  0.68428614  0.87596991
   0.76444907  0.82012848  0.59686094
   0.18365436  0.80895101  0.42416041
   0.90867867  0.28582474  0.05215344
   0.91415995  0.37131615  0.37408835
   0.36499838  0.11568724  0.63000928
   0.30240747  0.73508049  0.69972235
   0.17153044  1.08682914  0.17241903
   0.25099592  1.11520134  0.03645646
   0.62714924  0.38565846  0.86977089
   0.78916609  0.63744435  0.61671528
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869616    0.201978   -0.135795
    -0.000000    9.958783    0.167842
    -0.000000    0.000000   13.863333
   Si   O    H 
    32    64    10
Direct configuration=  2912
   0.19052034  0.22298333 -0.02697923
   0.34554463  0.08957738  0.38689116
   0.17112433  0.45207574  0.12675371
   0.41547503  0.33902630  0.25875297
   0.04745820  0.13232393  0.48624433
   0.42238598  0.12370247  0.84772655
   0.10854376  0.36940731  0.61837304
   0.37944041  0.37534602  0.74741024
   0.14151248  0.69915267  0.00269391
   0.44466621  0.59708298  0.37373930
   0.08377625  0.90196025  0.14701846
   0.32858095  0.84448949  0.26084539
   0.18479251  0.59089536  0.48075154
   0.36172127  0.63135030  0.84851944
   0.09850941  0.84695519  0.58499434
   0.37791902  0.97581926  0.67048739
   0.64576528  0.12722171  1.01447503
   0.82339595  0.11844326  0.32823585
   0.63726280  0.41130123  0.09979417
   0.89896267  0.31764919  0.14965577
   0.61315795  0.17143647  0.48160353
   0.90865380  0.12173002  0.89593228
   0.61369634  0.42488284  0.62101244
   0.75833147  0.38037493  0.82094783
   0.59108592  0.67612488 -0.01227510
   0.91235337  0.61115635  0.37562352
   0.56399773  0.89208734  0.13500300
   0.83051989  0.83639268  0.24140784
   0.67565896  0.70264207  0.47714053
   0.86640639  0.66920894  0.89010965
   0.67700671  0.94131046  0.60849933
   0.88518767  0.89987255  0.75883900
   0.08284496  0.06746627  0.15240986
   0.37836907  0.18655379  0.28982156
   0.17366696  0.37595143  0.02556549
   0.42412757  0.43726162  0.34780788
   0.55132847  0.36147328  0.19352606
   0.30246243  0.40376918  0.18840745
   0.19686950  0.14269955  0.42935685
  -0.06324486  0.18469854  0.39973614
   0.03834615 -0.02858114  0.51910960
   0.48355329  0.24374198  0.77701950
   0.05998937  0.21786963  0.58161675
   0.36543462  0.46115243  0.84326187
   0.46631438  0.46125609  0.66186028
   0.22745500  0.32470494  0.70371300
   0.27810683  0.19721825 -0.12123581
   0.04816493  0.18013053  0.93385279
   0.13108889  0.60733073  0.10187971
   0.39337519  0.69964208  0.28670047
   0.17521169  0.85655553  0.04993335
   0.34578513  0.92619814  0.36409134
   0.41058882  0.91480972  0.17677418
   0.15968946  0.83220887  0.24471133
   0.33592447  0.62985056  0.45462368
   0.07964885  0.61628361  0.38405068
   0.17939742  0.43806567  0.52079950
   0.28850486  0.66974200  0.75199949
   0.11149962  0.69256206  0.55862986
   0.37038818  0.99231890  0.79076498
   0.52141238  0.90429823  0.65308998
   0.25260756  0.88552023  0.62722448
   0.27991054  0.65866267 -0.04563261
   0.02428981  0.69780382  0.92221659
   0.62490220  0.04350669  0.11769964
   0.84451008  0.19679771  0.22515276
   0.64506100  0.29360597  0.02247985
   0.87494752  0.45590726  0.38163701
   0.04250630  0.37263737  0.18332525
   0.79159292  0.44839007  0.14311805
   0.68210888  0.15633907  0.36832839
   0.46193148  0.11900347  0.46215452
   0.69367592  0.07628017  0.54909380
   0.84341703  0.23622625  0.81890594
   0.59639024  0.31418753  0.53840513
   0.85090714  0.51712153  0.85218469
   0.99197911  0.46852536  0.64876701
   0.72777637  0.38326993  0.70668054
   0.80820223  0.09031630  0.98918836
   0.52064861  0.09576489  0.93674461
   0.56956162  0.53940183  0.04642833
   0.89041411  0.69924306  0.27713819
   0.53732285  0.80687250  0.03917425
   0.85326645  0.95794439  0.31753863
   0.91508900  0.87010854  0.13957527
   0.66850112  0.84066871  0.21851255
   0.83419134  0.67835783  0.45674697
   0.60369628  0.61923042  0.38523872
   0.68730789  0.58939150  0.58166315
   0.82059441  0.76843033  0.79611915
   0.59832435  0.84585177  0.48449307
   0.95085958  0.98835393  0.83933942
   0.98577273  0.83928964  0.67412049
   0.75780443  0.98325323  0.71389140
   0.75899345  0.69156576  0.97047301
   0.52213277  0.68662306  0.87541475
   0.76146569  0.81743103  0.60471632
   0.18867380  0.80690841  0.41890090
   0.90646333  0.28366356  0.05069941
   0.91018455  0.37829103  0.37077957
   0.36430345  0.11941358  0.62775985
   0.30035319  0.73947617  0.70085046
   0.17771669  1.08713730  0.17063170
   0.25001139  1.11843129  0.03293091
   0.63211674  0.38509233  0.87478608
   0.78832906  0.63109256  0.61712964
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869123    0.201918   -0.133877
    -0.000000    9.957090    0.166376
    -0.000000    0.000000   13.864704
   Si   O    H 
    32    64    10
Direct configuration=  2913
   0.18946545  0.22415274 -0.02763807
   0.34358643  0.09020707  0.38740750
   0.16988826  0.45176457  0.12688202
   0.41594505  0.33889397  0.26047493
   0.04670073  0.13286933  0.48547993
   0.42158920  0.12436837  0.84781024
   0.10895127  0.37112503  0.61794369
   0.37914071  0.37675985  0.74710659
   0.14282987  0.69941055  0.00324308
   0.44427125  0.59702186  0.37271675
   0.08182476  0.90110582  0.14736382
   0.32782162  0.84521091  0.26123403
   0.18390337  0.58990972  0.48111344
   0.36137685  0.63101273  0.84909497
   0.09742678  0.84708264  0.58442395
   0.37839981  0.97498830  0.66984180
   0.64682907  0.12848464  1.01439714
   0.82330082  0.11831376  0.32778733
   0.63736913  0.41196314  0.09987949
   0.89935823  0.31771619  0.14967776
   0.61280189  0.17181725  0.48163830
   0.90634243  0.12204193  0.89435209
   0.61462535  0.42395181  0.62043486
   0.75835966  0.38068466  0.82071606
   0.58851101  0.67480465 -0.01229863
   0.91263228  0.61098974  0.37563501
   0.56477051  0.89166580  0.13551215
   0.83175249  0.83596475  0.24112971
   0.67479584  0.70210307  0.47647962
   0.86582515  0.66719488  0.89017452
   0.67649929  0.94030333  0.60865077
   0.88360438  0.89977805  0.75965484
   0.08182432  0.06777959  0.15280435
   0.37748597  0.18584897  0.29047397
   0.17224864  0.37734754  0.02555824
   0.42524054  0.43869522  0.34793917
   0.55067066  0.36292638  0.19317956
   0.30242346  0.40591517  0.18885717
   0.19613419  0.14314102  0.43032167
  -0.06307076  0.18345270  0.39982091
   0.03757493 -0.02932024  0.51923588
   0.48190365  0.24330794  0.77616513
   0.05791290  0.21954084  0.58107696
   0.36686427  0.46151036  0.84362063
   0.46577461  0.46166312  0.66170569
   0.22749155  0.32418707  0.70351633
   0.27901307  0.19692099 -0.12196816
   0.04881893  0.18032566  0.93432329
   0.13043570  0.60733444  0.10078481
   0.39452416  0.69955853  0.28594494
   0.17614208  0.85872984  0.04985902
   0.34517226  0.92448884  0.36378300
   0.41032572  0.91370501  0.17709329
   0.15876527  0.83153515  0.24550080
   0.33708274  0.63129179  0.45504301
   0.08028883  0.61564937  0.38457078
   0.17970952  0.43674134  0.52172291
   0.29004317  0.66822136  0.75038628
   0.11110391  0.69333308  0.55757079
   0.37282396  0.99141554  0.78971365
   0.52190770  0.90580521  0.65321517
   0.25274558  0.88479375  0.62816800
   0.27897750  0.65707724 -0.04605650
   0.02249213  0.69878006  0.92258031
   0.62502382  0.04431682  0.11991038
   0.84480251  0.19623999  0.22529680
   0.64467528  0.29417417  0.02249814
   0.87472757  0.45782094  0.38082067
   0.03960049  0.37222178  0.18383765
   0.79102711  0.44908040  0.14443285
   0.68196512  0.15502779  0.36885357
   0.46205768  0.12077180  0.46172883
   0.69568136  0.07620329  0.55040320
   0.84331767  0.23479329  0.82019238
   0.59597907  0.31531694  0.53893691
   0.85299670  0.51721501  0.84986084
   0.99141440  0.46850386  0.64852731
   0.72731076  0.38248081  0.70578463
   0.81068638  0.09056233  0.99030338
   0.51937897  0.09755003  0.93614005
   0.56921911  0.53867265  0.04748950
   0.89184117  0.70049306  0.27853196
   0.53734458  0.80585910  0.03878077
   0.85509667  0.95799867  0.31622911
   0.91444284  0.86907811  0.14073153
   0.66910358  0.83778249  0.21875828
   0.83634928  0.67897068  0.45595921
   0.60497474  0.61930328  0.38506323
   0.68782393  0.58895794  0.58195847
   0.82041980  0.76880558  0.79651489
   0.59845293  0.84484685  0.48378735
   0.95218745  0.98728386  0.83961777
   0.98736728  0.84004117  0.67373046
   0.75686174  0.98258835  0.71272748
   0.75803091  0.69121646  0.97062983
   0.52108470  0.68884034  0.87517816
   0.76043146  0.81330560  0.61065596
   0.19096224  0.80632027  0.41427175
   0.90540460  0.27820061  0.04783954
   0.92002343  0.35405621  0.36523284
   0.36417292  0.11875651  0.62813897
   0.30059509  0.74163860  0.70574517
   0.17637998  1.09174400  0.16735428
   0.24907095  1.12097299  0.03466248
   0.63800867  0.37938176  0.88082445
   0.77642860  0.61748821  0.61634972
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.868719    0.201411   -0.131979
    -0.000000    9.955529    0.165509
    -0.000000    0.000000   13.866059
   Si   O    H 
    32    64    10
Direct configuration=  2914
   0.18890744  0.22516762 -0.02856994
   0.34217837  0.09124012  0.38778755
   0.16842504  0.45067833  0.12695443
   0.41595382  0.33855168  0.26116983
   0.04622559  0.13318236  0.48497164
   0.42040995  0.12518715  0.84732020
   0.10917646  0.37331422  0.61741387
   0.37858511  0.37814778  0.74688287
   0.14356397  0.70039853  0.00413553
   0.44381207  0.59606338  0.37150281
   0.08000583  0.90016773  0.14785395
   0.32619223  0.84500509  0.26159832
   0.18292885  0.58903676  0.48148184
   0.36106298  0.63064279  0.85014817
   0.09690591  0.84705520  0.58425178
   0.37806551  0.97451695  0.66924368
   0.64823569  0.12961372  1.01413516
   0.82307287  0.11826995  0.32710653
   0.63745993  0.41222113  0.09993023
   0.89972282  0.31720081  0.14984719
   0.61226765  0.17252513  0.48171906
   0.90408877  0.12223512  0.89304027
   0.61600738  0.42306562  0.61984235
   0.75840047  0.38142482  0.82071315
   0.58594943  0.67359666 -0.01237163
   0.91337238  0.61086178  0.37540537
   0.56473322  0.89142946  0.13589972
   0.83257446  0.83627508  0.24085540
   0.67403829  0.70172595  0.47566691
   0.86546870  0.66510417  0.88972574
   0.67555339  0.93901775  0.60894537
   0.88263849  0.89969759  0.75998319
   0.08105917  0.06774347  0.15252723
   0.37744992  0.18517372  0.29125114
   0.17092952  0.37863471  0.02515182
   0.42679187  0.44003159  0.34832734
   0.54977093  0.36370769  0.19286806
   0.30235808  0.40865660  0.18871297
   0.19589442  0.14343429  0.43108640
  -0.06230234  0.18288275  0.40022219
   0.03643333 -0.02977194  0.51897526
   0.47996657  0.24384032  0.77562681
   0.05586694  0.22164457  0.58087894
   0.36827974  0.46233580  0.84451601
   0.46595741  0.46254069  0.66156619
   0.22778885  0.32419863  0.70347398
   0.28031252  0.19633979 -0.12236895
   0.04964717  0.18020391  0.93507579
   0.12999357  0.60693713  0.09950379
   0.39620968  0.69913192  0.28501565
   0.17579492  0.86079905  0.04940637
   0.34451266  0.92313556  0.36328161
   0.40999254  0.91282695  0.17773769
   0.15724054  0.83076395  0.24634167
   0.33728817  0.63281565  0.45542207
   0.08197554  0.61573331  0.38497989
   0.18004956  0.43625627  0.52208643
   0.29145657  0.66629909  0.74896546
   0.11105066  0.69448220  0.55643058
   0.37457874  0.99048163  0.78857751
   0.52271730  0.90652607  0.65352525
   0.25272537  0.88455595  0.62923327
   0.27802576  0.65490442 -0.04641546
   0.02056619  0.69998445  0.92344375
   0.62545895  0.04518093  0.12176489
   0.84525020  0.19542742  0.22512354
   0.64490074  0.29427920  0.02276158
   0.87439266  0.45881825  0.38006824
   0.03776730  0.37183612  0.18370034
   0.78980461  0.44924389  0.14559298
   0.68069316  0.15396182  0.36988706
   0.46219798  0.12189946  0.46223181
   0.69796862  0.07656556  0.55154526
   0.84272319  0.23375103  0.82223208
   0.59577748  0.31598106  0.53929177
   0.85465620  0.51620815  0.84764709
   0.99113151  0.46914517  0.64873830
   0.72586135  0.38194201  0.70442438
   0.81244116  0.09094994  0.99103552
   0.51881937  0.09902100  0.93594773
   0.56875829  0.53825520  0.04807564
   0.89325350  0.70159917  0.28033018
   0.53712343  0.80536264  0.03932720
   0.85699482  0.95826920  0.31502952
   0.91388600  0.86829755  0.14194988
   0.66961987  0.83544840  0.21917835
   0.83827411  0.68052910  0.45556862
   0.60652957  0.61794504  0.38492183
   0.68915489  0.58843357  0.58253258
   0.82011066  0.76825414  0.79733438
   0.59907253  0.84375910  0.48347428
   0.95310983  0.98680381  0.83947878
   0.98884262  0.84131101  0.67360971
   0.75615789  0.98228095  0.71145596
   0.75659027  0.68995879  0.97060944
   0.51932882  0.69093125  0.87554857
   0.75832315  0.81147220  0.61408575
   0.19542154  0.80247016  0.41003168
   0.90416527  0.27473590  0.04793982
   0.92431830  0.35044994  0.36270741
   0.36098413  0.11101572  0.62868442
   0.30061650  0.74974207  0.70891085
   0.17335046  1.09950300  0.16493713
   0.25166183  1.12287006  0.03739458
   0.63796928  0.37528690  0.88660788
   0.75843594  0.60188636  0.61395638
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.868212    0.201187   -0.130232
    -0.000000    9.953723    0.164559
    -0.000000    0.000000   13.867804
   Si   O    H 
    32    64    10
Direct configuration=  2915
   0.18845920  0.22624695 -0.02903882
   0.34015097  0.09244732  0.38787474
   0.16696225  0.44966772  0.12716849
   0.41624522  0.33779294  0.26160773
   0.04680275  0.13357907  0.48454408
   0.41908744  0.12567393  0.84688586
   0.10914714  0.37496840  0.61702572
   0.37805551  0.37932228  0.74614973
   0.14420191  0.70151270  0.00480947
   0.44364338  0.59467699  0.37076199
   0.07794728  0.89966052  0.14820707
   0.32537822  0.84401652  0.26160006
   0.18210506  0.58861907  0.48113553
   0.36103569  0.63016358  0.85120740
   0.09626192  0.84668687  0.58446790
   0.37753247  0.97366666  0.66853013
   0.64979481  0.13051552  1.01411835
   0.82373291  0.11779279  0.32663228
   0.63785742  0.41269329  0.10054701
   0.89981165  0.31652569  0.14996061
   0.61169708  0.17296423  0.48153177
   0.90244296  0.12276779  0.89165941
   0.61690527  0.42242944  0.61931140
   0.75816519  0.38147373  0.82072341
   0.58363017  0.67269536 -0.01298806
   0.91466675  0.60990548  0.37469543
   0.56469977  0.89197093  0.13630423
   0.83223561  0.83695949  0.24016867
   0.67355282  0.70169057  0.47491303
   0.86496652  0.66309644  0.88877828
   0.67488959  0.93721123  0.60895029
   0.88205453  0.89895331  0.75997993
   0.08084664  0.06703632  0.15331422
   0.37693088  0.18440164  0.29182674
   0.17004479  0.37891693  0.02444346
   0.42843061  0.44120976  0.34811300
   0.54911702  0.36362293  0.19250944
   0.30283936  0.41079060  0.18862946
   0.19711756  0.14280263  0.43142749
  -0.06213656  0.18226663  0.40090463
   0.03562063 -0.02995277  0.51827532
   0.47904527  0.24519980  0.77470420
   0.05444017  0.22363740  0.58142332
   0.36971341  0.46465635  0.84601521
   0.46532847  0.46374946  0.66107325
   0.22761118  0.32436487  0.70360888
   0.28134007  0.19635355 -0.12240181
   0.04947693  0.17961464  0.93560755
   0.12954089  0.60667545  0.09847670
   0.39771565  0.69850110  0.28381663
   0.17480860  0.86165626  0.04906435
   0.34385207  0.92292259  0.36263323
   0.40997934  0.91149066  0.17779745
   0.15579328  0.82983046  0.24677411
   0.33710810  0.63452202  0.45590494
   0.08273193  0.61580307  0.38544225
   0.18001257  0.43586226  0.52233545
   0.29410637  0.66498293  0.74743122
   0.11133433  0.69530562  0.55500185
   0.37583609  0.98929901  0.78765273
   0.52418776  0.90780168  0.65284685
   0.25230816  0.88507016  0.63015159
   0.27714622  0.65329329 -0.04733523
   0.01831223  0.70152329  0.92474917
   0.62658951  0.04575742  0.12313520
   0.84579363  0.19461036  0.22487363
   0.64500842  0.29305667  0.02303798
   0.87468081  0.45769314  0.37881954
   0.03690030  0.37170338  0.18429520
   0.78929536  0.44789685  0.14705210
   0.67905937  0.15229724  0.37137606
   0.46217353  0.12244365  0.46276356
   0.69883127  0.07670706  0.55271806
   0.84191055  0.23288189  0.82402994
   0.59512481  0.31611074  0.53906122
   0.85660915  0.51468602  0.84566192
   0.99138809  0.46934433  0.64856430
   0.72422411  0.38183263  0.70318933
   0.81377733  0.09108076  0.99172318
   0.51979044  0.10119402  0.93571177
   0.56790283  0.53764819  0.04853514
   0.89440686  0.70196117  0.28215043
   0.53681860  0.80588587  0.04012697
   0.85778456  0.95808790  0.31379705
   0.91342647  0.86678251  0.14290851
   0.67034787  0.83296467  0.21925671
   0.83847089  0.68311105  0.45597689
   0.60775583  0.61670950  0.38508741
   0.68804894  0.58785241  0.58150746
   0.82026140  0.76741423  0.79845028
   0.60032127  0.84235921  0.48344113
   0.95412043  0.98601314  0.83983994
   0.98913614  0.84272950  0.67408052
   0.75503078  0.98162516  0.71047958
   0.75549692  0.68889861  0.97099905
   0.51720793  0.69193758  0.87614726
   0.75739610  0.80956035  0.61595545
   0.19790583  0.80247210  0.40699508
   0.90659283  0.27157272  0.05157542
   0.92639472  0.35971655  0.36393319
   0.35752948  0.09929542  0.63214432
   0.29609247  0.75267348  0.71177224
   0.16594530  1.10430997  0.16199562
   0.25046130  1.12492862  0.04004892
   0.63877496  0.37143986  0.88787767
   0.78285139  0.59813132  0.62929582
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867769    0.200923   -0.128412
    -0.000000    9.951860    0.163932
    -0.000000    0.000000   13.869279
   Si   O    H 
    32    64    10
Direct configuration=  2916
   0.18824463  0.22705116 -0.02907728
   0.33929349  0.09351150  0.38791342
   0.16598560  0.44852508  0.12739555
   0.41658248  0.33691356  0.26199591
   0.04758405  0.13370629  0.48407060
   0.41832010  0.12606253  0.84624109
   0.10889215  0.37628952  0.61690763
   0.37800895  0.38012501  0.74525099
   0.14456160  0.70290978  0.00523971
   0.44364311  0.59365733  0.37017642
   0.07575637  0.89955523  0.14855752
   0.32509222  0.84278076  0.26194441
   0.18136308  0.58782035  0.48124110
   0.36067333  0.62912511  0.85233796
   0.09592658  0.84589005  0.58504967
   0.37707836  0.97231700  0.66761935
   0.65197505  0.13130963  1.01379910
   0.82473954  0.11752700  0.32589548
   0.63772804  0.41298049  0.10158957
   0.89990124  0.31570894  0.15055772
   0.61109057  0.17352751  0.48151562
   0.90094770  0.12371582  0.89057344
   0.61758509  0.42221587  0.61885550
   0.75772475  0.38192600  0.82067306
   0.58237540  0.67150976 -0.01368712
   0.91677819  0.60946629  0.37364524
   0.56443048  0.89245791  0.13689098
   0.83191786  0.83780300  0.23935752
   0.67356594  0.70116200  0.47390606
   0.86441386  0.66138535  0.88769003
   0.67434071  0.93547423  0.60888359
   0.88148524  0.89840462  0.75974528
   0.07978368  0.06597326  0.15418243
   0.37671040  0.18364876  0.29167087
   0.16954566  0.37883341  0.02401556
   0.43050796  0.44215360  0.34798813
   0.54793166  0.36348760  0.19268538
   0.30296724  0.41288176  0.18874636
   0.19763181  0.14184452  0.43183311
  -0.06219949  0.18132848  0.40078993
   0.03540789 -0.02954721  0.51755014
   0.47751754  0.24704612  0.77351939
   0.05261747  0.22586340  0.58166171
   0.37133970  0.46723910  0.84710072
   0.46439687  0.46526376  0.66045609
   0.22786242  0.32442479  0.70417493
   0.28124809  0.19626693 -0.12292274
   0.04809848  0.17939132  0.93620058
   0.12969744  0.60569078  0.09719132
   0.39917811  0.69702348  0.28228487
   0.17317438  0.86221664  0.04860225
   0.34269183  0.92365586  0.36173830
   0.40952037  0.91086243  0.17716156
   0.15430824  0.82989727  0.24715201
   0.33671354  0.63466769  0.45723169
   0.08351212  0.61581437  0.38578369
   0.18151340  0.43599729  0.52227223
   0.29669688  0.66362243  0.74568412
   0.11209355  0.69580684  0.55368399
   0.37669592  0.98849335  0.78636932
   0.52534862  0.90961108  0.65168545
   0.25211313  0.88523877  0.63121294
   0.27683725  0.65106896 -0.04860045
   0.01604883  0.70234296  0.92617038
   0.62830814  0.04742702  0.12415630
   0.84610820  0.19442413  0.22389136
   0.64469255  0.29187561  0.02340021
   0.87510666  0.45560593  0.37755775
   0.03754219  0.37138837  0.18487509
   0.78933423  0.44694093  0.14861174
   0.67702718  0.15024452  0.37270373
   0.46246656  0.12366874  0.46336824
   0.69923134  0.07611529  0.55375014
   0.84073458  0.23278143  0.82532209
   0.59475858  0.31607074  0.53812309
   0.85832773  0.51305087  0.84385482
   0.99130764  0.46967775  0.64867039
   0.72255532  0.38144772  0.70291354
   0.81454844  0.08991853  0.99195287
   0.52182893  0.10282914  0.93631340
   0.56626635  0.53728832  0.04876329
   0.89491397  0.70222043  0.28393343
   0.53699174  0.80603143  0.04071693
   0.85879279  0.95750243  0.31310113
   0.91321903  0.86522096  0.14389611
   0.67094996  0.83074526  0.21933050
   0.83781193  0.68537253  0.45667868
   0.60916458  0.61449460  0.38585743
   0.68606702  0.58742907  0.58065952
   0.81963816  0.76638844  0.79985044
   0.60233691  0.84152294  0.48338081
   0.95641698  0.98619118  0.84036098
   0.98955482  0.84378507  0.67498853
   0.75430515  0.98077083  0.70934567
   0.75284361  0.68775016  0.97136698
   0.51543253  0.69302990  0.87706456
   0.75886129  0.80796274  0.61541753
   0.19898520  0.79879770  0.40393582
   0.90654718  0.27115947  0.05506838
   0.91931870  0.38039936  0.36723452
   0.35218846  0.10034623  0.63286263
   0.29251405  0.75304840  0.71680298
   0.17072298  1.11131929  0.15971215
   0.25095447  1.12947582  0.04410902
   0.64549975  0.37048632  0.88686665
   0.79352163  0.59575243  0.63693216
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867471    0.200718   -0.126627
    -0.000000    9.949774    0.163122
    -0.000000    0.000000   13.870922
   Si   O    H 
    32    64    10
Direct configuration=  2917
   0.18820126  0.22808070 -0.02869211
   0.33869631  0.09462100  0.38764334
   0.16464305  0.44702854  0.12733658
   0.41698474  0.33676678  0.26236012
   0.04817505  0.13360688  0.48454548
   0.41743100  0.12602626  0.84553201
   0.10793693  0.37808870  0.61731001
   0.37804852  0.38069759  0.74444430
   0.14468576  0.70490143  0.00561119
   0.44375965  0.59320451  0.36956035
   0.07398128  0.89961241  0.14887303
   0.32513782  0.84077952  0.26196110
   0.18082616  0.58717471  0.48121491
   0.35980247  0.62782829  0.85305113
   0.09524221  0.84519735  0.58578301
   0.37667626  0.97099124  0.66668427
   0.65377046  0.13179104  1.01382127
   0.82588509  0.11762744  0.32529272
   0.63756279  0.41300410  0.10265082
   0.89976937  0.31527170  0.15105538
   0.61090723  0.17446298  0.48128370
   0.90043446  0.12417380  0.88980664
   0.61728808  0.42214312  0.61823847
   0.75740050  0.38266022  0.82085794
   0.58200337  0.67066914 -0.01391519
   0.91979580  0.60876611  0.37276931
   0.56395618  0.89290443  0.13764827
   0.83147461  0.83780775  0.23828066
   0.67414048  0.70034936  0.47281575
   0.86445115  0.66005995  0.88703408
   0.67310753  0.93440206  0.60907789
   0.88147359  0.89769451  0.75892427
   0.07880453  0.06545279  0.15554512
   0.37650773  0.18272374  0.29210240
   0.16889039  0.37846827  0.02362847
   0.43229990  0.44289101  0.34823204
   0.54730849  0.36338101  0.19317858
   0.30244389  0.41423095  0.18843952
   0.19810327  0.14079961  0.43163124
  -0.06274238  0.18019203  0.40080080
   0.03404091 -0.02855202  0.51654880
   0.47572514  0.24794175  0.77236625
   0.05124227  0.22743037  0.58136672
   0.37329825  0.46977522  0.84765973
   0.46293190  0.46612257  0.65979606
   0.22863923  0.32466462  0.70470917
   0.28131404  0.19660224 -0.12273932
   0.04573181  0.17979150  0.93660232
   0.12977898  0.60468604  0.09628076
   0.40064646  0.69638210  0.28097054
   0.17120913  0.86185874  0.04876773
   0.34219322  0.92516825  0.36072409
   0.40967819  0.91099719  0.17681761
   0.15271187  0.82925779  0.24681221
   0.33671881  0.63506479  0.45808132
   0.08368817  0.61585732  0.38605039
   0.18234706  0.43631775  0.52200954
   0.29851855  0.66290855  0.74398951
   0.11255059  0.69585593  0.55338821
   0.37828722  0.98752115  0.78511163
   0.52615904  0.91139905  0.65054653
   0.25106062  0.88471181  0.63153563
   0.27722313  0.64962374 -0.05001604
   0.01451250  0.70218470  0.92768682
   0.63043598  0.04948190  0.12472578
   0.84765750  0.19436097  0.22271521
   0.64422591  0.29075449  0.02319999
   0.87434844  0.45438053  0.37668750
   0.03971719  0.37070022  0.18557486
   0.78918995  0.44649040  0.14968161
   0.67517849  0.14875824  0.37450665
   0.46202336  0.12542422  0.46442037
   0.69999229  0.07601003  0.55478144
   0.83933332  0.23392763  0.82656738
   0.59466268  0.31687752  0.53714500
   0.85980642  0.51149318  0.84196873
   0.99078069  0.47040308  0.64854151
   0.72093115  0.38086470  0.70257971
   0.81474869  0.08903263  0.99278361
   0.52417515  0.10339780  0.93726445
   0.56476961  0.53728062  0.04863771
   0.89522853  0.70268233  0.28511222
   0.53722792  0.80566871  0.04148301
   0.85932106  0.95805786  0.31222627
   0.91405375  0.86381842  0.14428823
   0.67160226  0.82975111  0.21914165
   0.83648768  0.68748022  0.45769131
   0.61032673  0.61205652  0.38629042
   0.68491159  0.58654369  0.58086013
   0.81929429  0.76481482  0.80082062
   0.60376132  0.84037595  0.48366640
   0.95823272  0.98659257  0.84091617
   0.98970432  0.84558038  0.67585104
   0.75398143  0.97951814  0.70852610
   0.75021068  0.68642329  0.97194857
   0.51392072  0.69416578  0.87789196
   0.76103375  0.80906547  0.61431282
   0.20323256  0.79577852  0.40062665
   0.90906236  0.26852402  0.05560205
   0.92425016  0.37460689  0.36627103
   0.34368949  0.10951640  0.62927552
   0.28591476  0.75280454  0.72089090
   0.16836329  1.11837827  0.15464389
   0.25037857  1.13684973  0.04747436
   0.65093761  0.37140003  0.88376638
   0.79689314  0.59551621  0.63436973
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866744    0.200426   -0.125365
    -0.000000    9.947589    0.162010
    -0.000000    0.000000   13.872648
   Si   O    H 
    32    64    10
Direct configuration=  2918
   0.18792781  0.22946003 -0.02845357
   0.33879564  0.09647173  0.38773584
   0.16324961  0.44606484  0.12747294
   0.41739642  0.33692059  0.26253619
   0.04890408  0.13414243  0.48498153
   0.41711665  0.12614264  0.84507715
   0.10720940  0.37896062  0.61758033
   0.37804720  0.38100767  0.74376274
   0.14560093  0.70661440  0.00601539
   0.44365616  0.59349326  0.36878142
   0.07295960  0.89988641  0.14901975
   0.32463333  0.83869132  0.26227602
   0.18098392  0.58652011  0.48087009
   0.35927145  0.62607979  0.85393833
   0.09476290  0.84481821  0.58623682
   0.37657977  0.97032987  0.66611334
   0.65474820  0.13185085  1.01396515
   0.82645197  0.11711800  0.32451758
   0.63699456  0.41257851  0.10414215
   0.89960985  0.31483674  0.15171807
   0.61060318  0.17559181  0.48125904
   0.90116144  0.12447499  0.88990336
   0.61717551  0.42263313  0.61756057
   0.75700055  0.38346888  0.82051714
   0.58148613  0.67009119 -0.01453173
   0.92262390  0.60832759  0.37207436
   0.56335414  0.89372710  0.13862493
   0.83170077  0.83761561  0.23727065
   0.67467298  0.69929141  0.47176093
   0.86407673  0.65909723  0.88655926
   0.67212191  0.93301460  0.60891950
   0.88113273  0.89721864  0.75838459
   0.07827740  0.06514202  0.15649673
   0.37626775  0.18248985  0.29246205
   0.16806212  0.37757471  0.02298212
   0.43312630  0.44221597  0.34876816
   0.54729987  0.36353328  0.19427408
   0.30179856  0.41491156  0.18823767
   0.19771729  0.14083183  0.43179354
  -0.06244032  0.17887994  0.40114522
   0.03294915 -0.02783794  0.51576882
   0.47399368  0.24847121  0.77127072
   0.05004367  0.22867406  0.58151882
   0.37627933  0.47098678  0.84807988
   0.46189971  0.46638052  0.65913809
   0.22895905  0.32496333  0.70489574
   0.28190134  0.19729026 -0.12230797
   0.04320586  0.18089892  0.93640409
   0.13037416  0.60389669  0.09502856
   0.40188586  0.69514068  0.27906826
   0.16875328  0.86077734  0.04908280
   0.34258131  0.92698241  0.36086523
   0.41056647  0.91119633  0.17632363
   0.15170713  0.82924317  0.24645834
   0.33671134  0.63498015  0.45976605
   0.08397827  0.61580980  0.38679267
   0.18408088  0.43732699  0.52139344
   0.29954971  0.66137099  0.74297618
   0.11353690  0.69565565  0.55315042
   0.37979593  0.98783838  0.78438366
   0.52553205  0.91311777  0.64979088
   0.24971394  0.88340866  0.63106238
   0.27730327  0.64831962 -0.05133073
   0.01285365  0.70199062  0.92840035
   0.63289026  0.05042990  0.12417493
   0.84953954  0.19456422  0.22168501
   0.64460843  0.28956731  0.02315848
   0.87276722  0.45246903  0.37579817
   0.04246170  0.37066441  0.18582556
   0.78950951  0.44647884  0.15110173
   0.67340609  0.14725149  0.37602909
   0.46116683  0.12703451  0.46545562
   0.70042122  0.07538587  0.55576890
   0.83750214  0.23474237  0.82771734
   0.59476743  0.31732622  0.53600034
   0.86066232  0.50952447  0.83994673
   0.98932495  0.47133051  0.64887787
   0.71967620  0.38000523  0.70206451
   0.81453085  0.08811802  0.99289913
   0.52694518  0.10359610  0.93794408
   0.56282495  0.53701516  0.04825150
   0.89412253  0.70335633  0.28613507
   0.53783635  0.80554317  0.04307138
   0.85995150  0.95821936  0.31150784
   0.91622148  0.86312540  0.14457733
   0.67190828  0.82847035  0.21886275
   0.83559200  0.68950727  0.45934661
   0.61065081  0.61007556  0.38638943
   0.68413166  0.58520968  0.58144397
   0.81939577  0.76286586  0.80181262
   0.60441005  0.83980986  0.48435339
   0.95944639  0.98689175  0.84169240
   0.98900878  0.84753671  0.67636233
   0.75367269  0.97936264  0.70826617
   0.74837679  0.68539694  0.97247238
   0.51279724  0.69615034  0.87845466
   0.76168595  0.81459446  0.61263374
   0.20584796  0.79085047  0.39585354
   0.90918872  0.26642142  0.05408729
   0.93339717  0.36686700  0.36684691
   0.33745360  0.11824777  0.62553491
   0.28070963  0.75988835  0.72371639
   0.15988939  1.11856472  0.14690669
   0.25175944  1.14582987  0.05067567
   0.65035949  0.37519758  0.88298014
   0.78585667  0.59549866  0.62277255
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865951    0.199791   -0.124159
    -0.000000    9.945261    0.160507
    -0.000000    0.000000   13.874208
   Si   O    H 
    32    64    10
Direct configuration=  2919
   0.18760733  0.23060115 -0.02848713
   0.33950216  0.09814433  0.38766560
   0.16185346  0.44486597  0.12773220
   0.41731501  0.33763604  0.26215874
   0.04896398  0.13442939  0.48537451
   0.41649499  0.12643656  0.84447395
   0.10732755  0.37975030  0.61760115
   0.37755785  0.38120557  0.74302646
   0.14630950  0.70830462  0.00627512
   0.44335596  0.59427553  0.36857440
   0.07316356  0.90056616  0.14881416
   0.32428539  0.83684519  0.26319284
   0.18118820  0.58622126  0.48048118
   0.35928080  0.62431970  0.85473356
   0.09383683  0.84469090  0.58692395
   0.37640232  0.97018091  0.66601821
   0.65545699  0.13128436  1.01394620
   0.82657888  0.11659335  0.32366821
   0.63610173  0.41313275  0.10557193
   0.89930731  0.31403848  0.15231233
   0.61031473  0.17603533  0.48177160
   0.90282217  0.12434664  0.89077284
   0.61673944  0.42339860  0.61700237
   0.75768339  0.38373620  0.82014196
   0.58149315  0.66959299 -0.01571535
   0.92447753  0.60709977  0.37155654
   0.56325995  0.89382791  0.13953421
   0.83168913  0.83726999  0.23632285
   0.67484069  0.69827512  0.47117252
   0.86324822  0.65817525  0.88645129
   0.67147247  0.93170039  0.60841859
   0.88119640  0.89706943  0.75733833
   0.07754891  0.06454464  0.15693486
   0.37658043  0.18319984  0.29226708
   0.16699602  0.37595807  0.02245928
   0.43291288  0.44107443  0.34920848
   0.54727992  0.36404051  0.19484443
   0.30105545  0.41565830  0.18822032
   0.19712260  0.14179585  0.43214315
  -0.06136404  0.17765471  0.40152117
   0.03266211 -0.02774517  0.51486810
   0.47196291  0.24886518  0.76985613
   0.04956734  0.22876556  0.58088137
   0.37877688  0.47105215  0.84757880
   0.46105743  0.46686658  0.65822825
   0.22855596  0.32573787  0.70512768
   0.28204597  0.19878199 -0.12194443
   0.04103278  0.18157971  0.93589192
   0.13151560  0.60228757  0.09426766
   0.40277928  0.69367990  0.27724627
   0.16592254  0.85938521  0.04926696
   0.34311914  0.92796149  0.36114026
   0.41112316  0.91215132  0.17577568
   0.15139840  0.82959342  0.24590009
   0.33637882  0.63443185  0.46059215
   0.08397896  0.61605389  0.38754542
   0.18609961  0.43788713  0.52118414
   0.29988673  0.66088412  0.74266560
   0.11358283  0.69489868  0.55287520
   0.38070736  0.98797894  0.78409626
   0.52391238  0.91462471  0.64926070
   0.24806569  0.88174573  0.63008131
   0.27746255  0.64708371 -0.05167659
   0.01139809  0.70190199  0.92843767
   0.63470645  0.05145495  0.12304845
   0.85151785  0.19469381  0.22100079
   0.64509895  0.28863579  0.02383832
   0.87147299  0.45065031  0.37427686
   0.04507465  0.37027267  0.18631069
   0.78995732  0.44581907  0.15244022
   0.67214399  0.14667390  0.37678869
   0.45945993  0.12835569  0.46657441
   0.70094871  0.07514714  0.55655787
   0.83552472  0.23572513  0.82893452
   0.59557574  0.31738365  0.53434344
   0.86095389  0.50743860  0.83799973
   0.98831872  0.47235155  0.64900717
   0.71798925  0.37848514  0.70223432
   0.81407820  0.08726694  0.99248207
   0.52858579  0.10339588  0.93857945
   0.56073457  0.53655406  0.04828224
   0.89291851  0.70469950  0.28635544
   0.53848677  0.80617560  0.04465358
   0.86180337  0.95874301  0.31046781
   0.91829640  0.86244319  0.14426813
   0.67152872  0.82687290  0.21844951
   0.83437732  0.69174498  0.46094065
   0.61044218  0.60905264  0.38642721
   0.68439778  0.58392119  0.58216665
   0.81846784  0.76049766  0.80262396
   0.60498582  0.83881919  0.48423786
   0.95919229  0.98757385  0.84183439
   0.98829741  0.84997795  0.67710666
   0.75329416  0.97859215  0.70865547
   0.74656060  0.68433126  0.97276739
   0.51204678  0.69831628  0.87869835
   0.76220350  0.81803837  0.60882538
   0.20523124  0.78539525  0.39019277
   0.91096521  0.26701393  0.05204484
   0.93521446  0.37129540  0.37040034
   0.33360729  0.11837071  0.62225718
   0.27673421  0.75883808  0.72699019
   0.14925137  1.11675225  0.13864575
   0.25264408  1.15392825  0.05459471
   0.64146914  0.38141086  0.88415976
   0.76350862  0.59615073  0.60400422
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865361    0.199241   -0.123139
    -0.000000    9.942407    0.158784
    -0.000000    0.000000   13.876017
   Si   O    H 
    32    64    10
Direct configuration=  2920
   0.18722567  0.23167720 -0.02845211
   0.34090515  0.09952263  0.38764279
   0.16091416  0.44366159  0.12798301
   0.41674153  0.33827769  0.26187716
   0.04880109  0.13525797  0.48569888
   0.41680947  0.12624614  0.84415043
   0.10714309  0.37992129  0.61766015
   0.37637010  0.38166354  0.74264482
   0.14660513  0.70942746  0.00620208
   0.44301061  0.59486698  0.36872830
   0.07378635  0.90212606  0.14887633
   0.32384333  0.83504183  0.26386836
   0.18190514  0.58575579  0.48034390
   0.35957022  0.62310203  0.85532125
   0.09290506  0.84472977  0.58732601
   0.37565264  0.97099059  0.66632923
   0.65677535  0.12983082  1.01443792
   0.82660816  0.11734680  0.32293174
   0.63595076  0.41395918  0.10704861
   0.89915814  0.31340779  0.15270251
   0.60973223  0.17604846  0.48228816
   0.90474960  0.12362282  0.89160717
   0.61681209  0.42414917  0.61659280
   0.75792756  0.38395975  0.81921207
   0.58183778  0.66918640 -0.01676044
   0.92581646  0.60573154  0.37127339
   0.56275022  0.89421728  0.14032117
   0.83145356  0.83662876  0.23591586
   0.67486765  0.69765401  0.47040369
   0.86180533  0.65761598  0.88601030
   0.67070313  0.93074638  0.60780433
   0.88095972  0.89701556  0.75649863
   0.07647206  0.06338776  0.15717849
   0.37762479  0.18415796  0.29147096
   0.16600643  0.37327520  0.02209304
   0.43274117  0.43894746  0.34942938
   0.54739653  0.36351362  0.19552313
   0.30069428  0.41625267  0.18794847
   0.19629788  0.14237256  0.43195860
  -0.06076600  0.17675868  0.40230022
   0.03237005 -0.02788378  0.51454516
   0.46984932  0.24948809  0.76906232
   0.04888678  0.22905433  0.57991505
   0.38140336  0.47121507  0.84713221
   0.46065900  0.46719971  0.65781072
   0.22836543  0.32701731  0.70579322
   0.28165019  0.20067195 -0.12121081
   0.03960050  0.18229433  0.93525854
   0.13248890  0.60121168  0.09423942
   0.40294746  0.69271650  0.27560755
   0.16292681  0.85775757  0.04974934
   0.34380275  0.92959816  0.36195425
   0.41105471  0.91276121  0.17636856
   0.15155120  0.83014103  0.24505279
   0.33649333  0.63330835  0.46097905
   0.08341895  0.61605076  0.38829354
   0.18780106  0.43755539  0.52126445
   0.29988152  0.66164879  0.74342984
   0.11352360  0.69400046  0.55293079
   0.38173294  0.98873506  0.78367877
   0.52272454  0.91492073  0.64872691
   0.24708447  0.88032885  0.62946481
   0.27673722  0.64644861 -0.05110057
   0.01065532  0.70165695  0.92941378
   0.63617146  0.05214619  0.12182182
   0.85365511  0.19503255  0.22126744
   0.64521470  0.28800041  0.02512218
   0.87059076  0.44844976  0.37255122
   0.04707209  0.37015952  0.18669731
   0.79053333  0.44479999  0.15343180
   0.67132771  0.14663039  0.37697472
   0.45833298  0.12954382  0.46788798
   0.70145370  0.07602709  0.55678258
   0.83323942  0.23701017  0.83024959
   0.59659297  0.31723042  0.53279982
   0.86080214  0.50567324  0.83594892
   0.98703432  0.47329957  0.64916108
   0.71653343  0.37667149  0.70332348
   0.81492369  0.08592635  0.99177668
   0.52948547  0.10269614  0.93900324
   0.55921061  0.53627365  0.04821117
   0.89129781  0.70592272  0.28609774
   0.53914144  0.80669938  0.04493777
   0.86304846  0.96051672  0.30925231
   0.92059556  0.86227035  0.14419810
   0.67124396  0.82520999  0.21756316
   0.83348046  0.69347045  0.46240948
   0.60920837  0.60795090  0.38675034
   0.68219081  0.58261547  0.58186556
   0.81717185  0.75883184  0.80306888
   0.60583675  0.83846191  0.48491534
   0.95790265  0.98825670  0.84145653
   0.98810802  0.85207816  0.67763943
   0.75265721  0.97723029  0.70906439
   0.74504363  0.68274855  0.97288554
   0.51067830  0.69981340  0.87944965
   0.76800879  0.81845301  0.60549333
   0.20411601  0.78023700  0.38530136
   0.91235408  0.26910642  0.05301105
   0.93572451  0.37650265  0.37246783
   0.33177419  0.11175660  0.61901942
   0.27380449  0.74853850  0.73276025
   0.14958198  1.12171224  0.12844507
   0.25187051  1.16007978  0.05386148
   0.63108278  0.39140490  0.88146403
   0.77795502  0.60272582  0.59734368
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.864555    0.198769   -0.122136
    -0.000000    9.939709    0.156674
    -0.000000    0.000000   13.878078
   Si   O    H 
    32    64    10
Direct configuration=  2921
   0.18698391  0.23247348 -0.02847240
   0.34220695  0.10086425  0.38803466
   0.16032036  0.44228129  0.12791206
   0.41571899  0.33919258  0.26177913
   0.04841630  0.13590829  0.48589472
   0.41769179  0.12588143  0.84380825
   0.10669841  0.37975938  0.61768885
   0.37530257  0.38265660  0.74239857
   0.14676305  0.71024718  0.00600774
   0.44319679  0.59535622  0.36928131
   0.07437441  0.90392050  0.14889810
   0.32385598  0.83370700  0.26462711
   0.18241091  0.58594765  0.47996810
   0.35966033  0.62293803  0.85568760
   0.09231290  0.84516770  0.58729783
   0.37438936  0.97184091  0.66667851
   0.65835352  0.12873473  1.01497586
   0.82630052  0.11805722  0.32214699
   0.63585833  0.41405048  0.10801035
   0.89935948  0.31324126  0.15298635
   0.60901508  0.17588089  0.48237066
   0.90623999  0.12276504  0.89296733
   0.61694514  0.42504350  0.61645502
   0.75817765  0.38375206  0.81844007
   0.58281282  0.66898103 -0.01714377
   0.92678493  0.60511613  0.37137101
   0.56246822  0.89446135  0.14083181
   0.83106858  0.83623149  0.23587165
   0.67513405  0.69722057  0.47022946
   0.86035495  0.65724979  0.88546746
   0.67005069  0.92972055  0.60754613
   0.88068177  0.89749267  0.75652668
   0.07574995  0.06171525  0.15661815
   0.37816293  0.18563521  0.28996270
   0.16481480  0.37157062  0.02117105
   0.43250851  0.43599150  0.35024038
   0.54878897  0.36358577  0.19655327
   0.29987279  0.41804338  0.18749507
   0.19523886  0.14335465  0.43179634
  -0.05963375  0.17563939  0.40346908
   0.03216674 -0.02810902  0.51401100
   0.46801943  0.24959544  0.76829063
   0.04888530  0.22902224  0.57932406
   0.38417000  0.47004511  0.84628035
   0.46002519  0.46672214  0.65731222
   0.22813104  0.32970677  0.70641934
   0.28158274  0.20213155 -0.12022220
   0.03874261  0.18364407  0.93476712
   0.13397575  0.60036798  0.09387148
   0.40319694  0.69213528  0.27412895
   0.16068158  0.85660032  0.05040896
   0.34446284  0.93156045  0.36235488
   0.41122686  0.91319950  0.17713097
   0.15184241  0.83096783  0.24455554
   0.33675578  0.63273888  0.46134835
   0.08285007  0.61580908  0.38896053
   0.18951589  0.43649570  0.52102682
   0.30043626  0.66081025  0.74504632
   0.11345464  0.69268364  0.55344063
   0.38185689  0.98945691  0.78331162
   0.52180134  0.91468038  0.64827876
   0.24664977  0.87890161  0.62834413
   0.27634650  0.64620643 -0.05016330
   0.00965767  0.70034578  0.93082321
   0.63804733  0.05175284  0.12075574
   0.85453314  0.19509019  0.22205455
   0.64537031  0.28855543  0.02651274
   0.87048411  0.44644454  0.37064132
   0.04790707  0.37101194  0.18712929
   0.79134937  0.44355985  0.15422938
   0.67270616  0.14687850  0.37736745
   0.45728165  0.13038579  0.46900737
   0.70203877  0.07626351  0.55687438
   0.83069081  0.23830860  0.83173778
   0.59762827  0.31786721  0.53170061
   0.86075346  0.50438496  0.83410678
   0.98559919  0.47389919  0.64892923
   0.71550961  0.37577599  0.70432279
   0.81563859  0.08518223  0.99129918
   0.52963119  0.10202299  0.93841479
   0.55812669  0.53575477  0.04809340
   0.88961633  0.70620086  0.28557499
   0.54006681  0.80692445  0.04562180
   0.86464540  0.96186064  0.30887201
   0.92188775  0.86251281  0.14366979
   0.67132538  0.82470565  0.21701048
   0.83386880  0.69466581  0.46329071
   0.60811771  0.60714831  0.38661981
   0.68011920  0.58091300  0.58194591
   0.81612380  0.75759818  0.80257764
   0.60654651  0.83882974  0.48579726
   0.95788047  0.98879556  0.84094538
   0.98865576  0.85466740  0.67891095
   0.75195097  0.97598912  0.70934488
   0.74345925  0.68108805  0.97297850
   0.50932984  0.70067485  0.87933232
   0.77569577  0.81398421  0.60385344
   0.20512055  0.77812748  0.38103014
   0.91143632  0.27437846  0.05595560
   0.93742531  0.37476093  0.37314504
   0.33446602  0.09979237  0.61639683
   0.26362192  0.75731693  0.73327223
   0.15023442  1.12374384  0.12026918
   0.25250417  1.16350078  0.05426983
   0.62731240  0.40002258  0.87667421
   0.79151303  0.60799896  0.59443061
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863971    0.198732   -0.120858
    -0.000000    9.936814    0.154675
    -0.000000    0.000000   13.880572
   Si   O    H 
    32    64    10
Direct configuration=  2922
   0.18652929  0.23312473 -0.02852390
   0.34332419  0.10155286  0.38809656
   0.15978342  0.44130993  0.12732399
   0.41423763  0.34034049  0.26112950
   0.04810667  0.13625978  0.48611743
   0.41899279  0.12610929  0.84352803
   0.10615927  0.37908928  0.61753670
   0.37379781  0.38273366  0.74226315
   0.14704733  0.71122805  0.00596843
   0.44392780  0.59605342  0.36984277
   0.07541555  0.90589943  0.14897324
   0.32383164  0.83214477  0.26523608
   0.18294758  0.58658254  0.47957899
   0.35913815  0.62339030  0.85557898
   0.09202625  0.84592492  0.58726172
   0.37297533  0.97264449  0.66659369
   0.65971069  0.12711721  1.01547690
   0.82615173  0.11886898  0.32167055
   0.63625831  0.41397330  0.10892991
   0.89967881  0.31311628  0.15334421
   0.60871571  0.17529537  0.48273437
   0.90753526  0.12178228  0.89420623
   0.61688621  0.42589279  0.61649950
   0.75802154  0.38317327  0.81823068
   0.58351354  0.66920480 -0.01727834
   0.92706275  0.60406793  0.37110051
   0.56263539  0.89489546  0.14174646
   0.83074204  0.83626598  0.23598149
   0.67550576  0.69668750  0.47010302
   0.85956152  0.65695242  0.88546768
   0.67032610  0.92919788  0.60723984
   0.88021419  0.89772935  0.75675967
   0.07490963  0.06087497  0.15582163
   0.37889250  0.18661232  0.28836564
   0.16415895  0.37009890  0.02032763
   0.43170734  0.43311952  0.35155168
   0.54998324  0.36346615  0.19828500
   0.29944686  0.41990277  0.18742807
   0.19503527  0.14380304  0.43094634
  -0.05913656  0.17424286  0.40388306
   0.03197474 -0.02813492  0.51418270
   0.46660360  0.24960319  0.76782499
   0.04949454  0.22976787  0.57844528
   0.38691290  0.46712368  0.84513973
   0.45924406  0.46620875  0.65666283
   0.22669688  0.33208674  0.70594741
   0.28158032  0.20346171 -0.11931574
   0.03835731  0.18540856  0.93443426
   0.13569306  0.59994527  0.09371750
   0.40285903  0.69052816  0.27293944
   0.15871075  0.85548655  0.05132204
   0.34480015  0.93325737  0.36256731
   0.41084139  0.91294025  0.17788904
   0.15264346  0.83168474  0.24378770
   0.33712407  0.63272595  0.46117155
   0.08295428  0.61489674  0.38968512
   0.18981008  0.43552102  0.52084713
   0.30012470  0.66143884  0.74692832
   0.11250126  0.69217249  0.55328522
   0.38108386  0.99021964  0.78396780
   0.52123099  0.91418894  0.64828430
   0.24630126  0.87793906  0.62739315
   0.27512625  0.64546597 -0.04920029
   0.00871119  0.69884358  0.93253178
   0.64075982  0.05122240  0.11991114
   0.85476592  0.19551393  0.22337641
   0.64537854  0.28909646  0.02783373
   0.87046789  0.44465983  0.36898939
   0.04777319  0.37212823  0.18777126
   0.79158389  0.44328671  0.15457634
   0.67457231  0.14726311  0.37690824
   0.45573207  0.13135189  0.47006101
   0.70264676  0.07663568  0.55635498
   0.82881500  0.23904958  0.83355878
   0.59971856  0.31936132  0.53004833
   0.86126685  0.50338461  0.83282114
   0.98414288  0.47376315  0.64888049
   0.71452147  0.37430776  0.70529868
   0.81630763  0.08512428  0.99096555
   0.52846373  0.10108329  0.93722517
   0.55725452  0.53412607  0.04788194
   0.88779794  0.70562552  0.28483459
   0.54010954  0.80658623  0.04605371
   0.86609947  0.96336114  0.30809405
   0.92299426  0.86205927  0.14262016
   0.67165326  0.82436103  0.21617024
   0.83497997  0.69512129  0.46399922
   0.60622884  0.60685621  0.38643570
   0.67818137  0.57874387  0.58179292
   0.81585335  0.75780502  0.80140565
   0.60725667  0.83880002  0.48673569
   0.95798479  0.98964856  0.83978411
   0.98963612  0.85677655  0.68006393
   0.75165824  0.97441382  0.70980681
   0.74267654  0.67957908  0.97334426
   0.50847506  0.70013105  0.87950419
   0.77975613  0.80773793  0.60197457
   0.20600944  0.77768430  0.37646533
   0.90862590  0.27823691  0.05803745
   0.93833098  0.37251303  0.37474752
   0.33770644  0.09190662  0.61465169
   0.25749613  0.75508407  0.73517828
   0.14508080  1.12036463  0.11783336
   0.25394219  1.16147611  0.05391185
   0.63014133  0.40867189  0.87237806
   0.79351879  0.60917514  0.59224511
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863572    0.199358   -0.119863
    -0.000000    9.933791    0.152642
    -0.000000    0.000000   13.883142
   Si   O    H 
    32    64    10
Direct configuration=  2923
   0.18673697  0.23410278 -0.02837809
   0.34508994  0.10190183  0.38787618
   0.15975164  0.44010910  0.12665584
   0.41231457  0.34083800  0.26006312
   0.04811233  0.13643363  0.48633944
   0.42043593  0.12677307  0.84279637
   0.10594219  0.37843614  0.61733498
   0.37202186  0.38295176  0.74197242
   0.14692712  0.71117915  0.00601146
   0.44424069  0.59638589  0.37020458
   0.07646663  0.90771003  0.14964153
   0.32299035  0.83094809  0.26587361
   0.18294600  0.58736003  0.47923682
   0.35870967  0.62384359  0.85552676
   0.09187163  0.84628450  0.58711251
   0.37190160  0.97343505  0.66622847
   0.66087200  0.12590205  1.01565766
   0.82581036  0.11980162  0.32167570
   0.63717781  0.41368452  0.10928924
   0.89999687  0.31307605  0.15417863
   0.60851564  0.17480738  0.48306925
   0.90814917  0.12111975  0.89513582
   0.61637867  0.42632329  0.61656172
   0.75773971  0.38217975  0.81824371
   0.58431519  0.66968563 -0.01708190
   0.92719758  0.60339986  0.37128816
   0.56313066  0.89564126  0.14245665
   0.83063213  0.83650805  0.23563822
   0.67573748  0.69685128  0.47005810
   0.85935555  0.65677786  0.88555375
   0.67078696  0.92818444  0.60686189
   0.88020299  0.89838963  0.75719153
   0.07468686  0.06094664  0.15507122
   0.37931015  0.18827691  0.28717910
   0.16322256  0.36912866  0.01952847
   0.43108917  0.43017092  0.35276438
   0.55018003  0.36271724  0.19929486
   0.29971857  0.42190738  0.18734232
   0.19497663  0.14391658  0.42987757
  -0.05931385  0.17299322  0.40373786
   0.03199238 -0.02817801  0.51431908
   0.46550103  0.25037734  0.76748509
   0.05004905  0.23046313  0.57759218
   0.38937592  0.46438985  0.84356261
   0.45798024  0.46599283  0.65649834
   0.22585496  0.33478837  0.70578291
   0.28063357  0.20489144 -0.11755098
   0.03860231  0.18720470  0.93491805
   0.13715790  0.60001413  0.09396887
   0.40289820  0.68859138  0.27249832
   0.15768174  0.85491231  0.05175235
   0.34436505  0.93443691  0.36289089
   0.41046959  0.91209761  0.17926630
   0.15337098  0.83209284  0.24235941
   0.33776795  0.63238803  0.46057091
   0.08355722  0.61404034  0.38990880
   0.19036361  0.43344742  0.52139064
   0.29976368  0.66323238  0.74858455
   0.11167922  0.69173683  0.55317540
   0.38077202  0.99060726  0.78465673
   0.52059558  0.91331375  0.64812794
   0.24524778  0.87659822  0.62637952
   0.27396611  0.64516707 -0.04806748
   0.00791803  0.69755420  0.93403550
   0.64299159  0.05037687  0.11965864
   0.85511553  0.19617016  0.22526689
   0.64558431  0.29045715  0.02884416
   0.87044438  0.44415296  0.36745770
   0.04686671  0.37285610  0.18883900
   0.79062685  0.44326641  0.15480918
   0.67687815  0.14756158  0.37584543
   0.45333056  0.13265447  0.47062651
   0.70239105  0.07702422  0.55609024
   0.82687059  0.23924446  0.83511288
   0.60158535  0.32105292  0.52870873
   0.86179156  0.50389938  0.83246839
   0.98268676  0.47316521  0.64821960
   0.71361528  0.37247271  0.70612220
   0.81648433  0.08574072  0.99059897
   0.52705405  0.09994067  0.93589156
   0.55667580  0.53318740  0.04731182
   0.88718986  0.70413479  0.28430173
   0.54042591  0.80636539  0.04605606
   0.86779293  0.96486105  0.30751043
   0.92292482  0.86202108  0.14173226
   0.67231413  0.82408536  0.21536595
   0.83714027  0.69565009  0.46445838
   0.60510090  0.60631500  0.38686137
   0.67645757  0.57740632  0.58165253
   0.81592968  0.75919741  0.79981176
   0.60822967  0.83845032  0.48732353
   0.95777575  0.98972128  0.83836514
   0.99113273  0.85863187  0.68144491
   0.75075400  0.97223503  0.71025101
   0.74198050  0.67826608  0.97306954
   0.50741377  0.69964600  0.87958315
   0.78067752  0.80413536  0.60031010
   0.20630554  0.78058302  0.37021213
   0.90959396  0.27856832  0.05422847
   0.93771850  0.36536394  0.37799047
   0.33867262  0.08819399  0.60968278
   0.25790101  0.74335925  0.73891733
   0.13344967  1.10931861  0.12044944
   0.25699664  1.15590767  0.05329333
   0.63718771  0.41319621  0.86782401
   0.78320951  0.60667369  0.59357523
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863022    0.199385   -0.119166
    -0.000000    9.931054    0.150195
    -0.000000    0.000000   13.885310
   Si   O    H 
    32    64    10
Direct configuration=  2924
   0.18682820  0.23463534 -0.02816874
   0.34660303  0.10208321  0.38778548
   0.15941763  0.43954714  0.12616663
   0.41146135  0.34070472  0.25922833
   0.04807799  0.13604493  0.48645136
   0.42170414  0.12771917  0.84235220
   0.10597768  0.37763079  0.61718977
   0.37091082  0.38330334  0.74178747
   0.14649302  0.71060835  0.00587686
   0.44412559  0.59601754  0.37042722
   0.07753884  0.90876357  0.14995642
   0.32221222  0.83075050  0.26696781
   0.18248511  0.58808550  0.47922535
   0.35964464  0.62408540  0.85582153
   0.09220213  0.84680932  0.58702945
   0.37060786  0.97404430  0.66580367
   0.66103431  0.12519736  1.01579738
   0.82524274  0.12033853  0.32214353
   0.63836940  0.41348680  0.10961592
   0.90030227  0.31361858  0.15521725
   0.60843232  0.17408418  0.48331144
   0.90872371  0.12048012  0.89612139
   0.61523321  0.42670776  0.61705501
   0.75667337  0.38134955  0.81786789
   0.58535280  0.67020948 -0.01695216
   0.92669659  0.60208620  0.37135072
   0.56362550  0.89715807  0.14289763
   0.83071103  0.83678150  0.23529171
   0.67666674  0.69676225  0.47009991
   0.85941821  0.65648264  0.88547038
   0.67154800  0.92722270  0.60628246
   0.88006189  0.89851374  0.75802976
   0.07407596  0.06196083  0.15451590
   0.37939071  0.18924598  0.28642161
   0.16299135  0.36926374  0.01867138
   0.43016269  0.42791167  0.35405973
   0.55042668  0.36293613  0.20037904
   0.30058919  0.42397002  0.18663153
   0.19547825  0.14386058  0.42924842
  -0.06009268  0.17205633  0.40327607
   0.03195750 -0.02885804  0.51460086
   0.46438484  0.25068743  0.76727268
   0.05182902  0.23108953  0.57720410
   0.39093633  0.46119586  0.84173219
   0.45667945  0.46501535  0.65567313
   0.22449624  0.33708851  0.70518082
   0.27988851  0.20632817 -0.11570516
   0.03917377  0.18883034  0.93600346
   0.13785688  0.60018724  0.09410157
   0.40302596  0.68653697  0.27213076
   0.15615549  0.85431986  0.05199531
   0.34398256  0.93528613  0.36296242
   0.41015015  0.91124142  0.18081054
   0.15443649  0.83275761  0.24104680
   0.33816374  0.63200396  0.45932704
   0.08348720  0.61291668  0.39000520
   0.19104831  0.43321885  0.52166968
   0.30045171  0.66372193  0.75033562
   0.11099347  0.69101564  0.55340095
   0.38085139  0.99164539  0.78505423
   0.52065953  0.91228749  0.64841315
   0.24497138  0.87566138  0.62517952
   0.27308806  0.64497895 -0.04714305
   0.00767933  0.69526685  0.93542543
   0.64475612  0.04903714  0.11988819
   0.85406567  0.19694034  0.22695425
   0.64512878  0.29184249  0.03065191
   0.87065247  0.44522379  0.36567685
   0.04559399  0.37362481  0.18948954
   0.79012802  0.44279866  0.15488037
   0.67896863  0.14836302  0.37498209
   0.45104305  0.13372074  0.47104177
   0.70242870  0.07777802  0.55609736
   0.82567806  0.23923798  0.83652636
   0.60314743  0.32305743  0.52769946
   0.86323839  0.50545221  0.83233060
   0.98206668  0.47244468  0.64799563
   0.71188429  0.37142928  0.70688963
   0.81645083  0.08585670  0.98985425
   0.52647234  0.09774806  0.93471142
   0.55586045  0.53315565  0.04705557
   0.88644061  0.70218640  0.28389667
   0.54106908  0.80518652  0.04564874
   0.86939848  0.96648617  0.30718064
   0.92265435  0.86103530  0.14071029
   0.67266680  0.82332430  0.21446878
   0.84024689  0.69569617  0.46465685
   0.60362533  0.60682609  0.38712218
   0.67642730  0.57713466  0.58097505
   0.81648870  0.76004464  0.79857810
   0.60834158  0.83839252  0.48824482
   0.95777341  0.99084234  0.83675764
   0.99291935  0.85996923  0.68282029
   0.74936421  0.97002160  0.71055453
   0.74164239  0.67676023  0.97259790
   0.50539385  0.69871690  0.87976345
   0.77433285  0.80394444  0.59879755
   0.20669648  0.78521743  0.36626409
   0.91157775  0.27676294  0.05092562
   0.93205237  0.36119348  0.38119909
   0.34195964  0.09107466  0.60582827
   0.25068541  0.74916334  0.73891810
   0.13266286  1.11126516  0.11617687
   0.25995214  1.14958092  0.05286521
   0.63858243  0.41591828  0.86517710
   0.76779989  0.59862298  0.59713985
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862192    0.199352   -0.118549
    -0.000000    9.928745    0.148210
    -0.000000    0.000000   13.886928
   Si   O    H 
    32    64    10
Direct configuration=  2925
   0.18706995  0.23399164 -0.02839542
   0.34768892  0.10176733  0.38744664
   0.15896885  0.43958604  0.12535581
   0.41108993  0.34129889  0.25802862
   0.04878299  0.13501679  0.48633742
   0.42335805  0.12862208  0.84204660
   0.10621975  0.37753428  0.61684116
   0.36991711  0.38355854  0.74167846
   0.14603108  0.70963360  0.00542759
   0.44448622  0.59520525  0.37051451
   0.07767856  0.90910863  0.15028100
   0.32147811  0.83114189  0.26837118
   0.18227267  0.58876109  0.47930639
   0.36125294  0.62451086  0.85596844
   0.09222931  0.84777159  0.58714897
   0.36914489  0.97540266  0.66572440
   0.66140058  0.12474576  1.01559291
   0.82491448  0.12079783  0.32298760
   0.63939116  0.41296150  0.10954643
   0.90027526  0.31397555  0.15599764
   0.60898065  0.17352378  0.48347324
   0.90919562  0.11975306  0.89722404
   0.61389396  0.42709385  0.61740918
   0.75583962  0.38074880  0.81727039
   0.58620570  0.67161112 -0.01682605
   0.92612553  0.60165298  0.37170974
   0.56424622  0.89856190  0.14308351
   0.83179092  0.83692276  0.23483137
   0.67797369  0.69665017  0.47023584
   0.85997453  0.65556815  0.88495633
   0.67213805  0.92667588  0.60599551
   0.87965066  0.89862146  0.75899985
   0.07341442  0.06345449  0.15442678
   0.37859227  0.18955928  0.28575715
   0.16338806  0.37049583  0.01825780
   0.42804449  0.42646528  0.35586808
   0.55081091  0.36386899  0.20160017
   0.30130393  0.42620831  0.18583404
   0.19698325  0.14493427  0.42919925
  -0.06182152  0.17164913  0.40262954
   0.03197075 -0.02911360  0.51506649
   0.46424074  0.25011738  0.76759357
   0.05370918  0.23133271  0.57612431
   0.39179635  0.45920615  0.84004937
   0.45554439  0.46440613  0.65494964
   0.22376485  0.33914423  0.70396269
   0.27940170  0.20761737 -0.11420097
   0.03988418  0.19069320  0.93683716
   0.13846632  0.60013208  0.09476356
   0.40216257  0.68479012  0.27219647
   0.15477887  0.85474239  0.05191676
   0.34369557  0.93588483  0.36222257
   0.41025099  0.91020885  0.18243137
   0.15507965  0.83255061  0.24029046
   0.33791470  0.63222205  0.45759892
   0.08452346  0.61114486  0.38988442
   0.19115734  0.43286147  0.52157379
   0.30066102  0.66494037  0.75222660
   0.11086817  0.69072026  0.55363954
   0.38086252  0.99202905  0.78498008
   0.52076143  0.91082820  0.64884546
   0.24459971  0.87550922  0.62485517
   0.27332568  0.64553940 -0.04656309
   0.00701564  0.69331579  0.93671096
   0.64560114  0.04791294  0.11985237
   0.85353589  0.19698247  0.22811663
   0.64545900  0.29296071  0.03254118
   0.87121294  0.44714318  0.36337774
   0.04429754  0.37386101  0.19041794
   0.78909278  0.44164041  0.15499392
   0.68048299  0.14894025  0.37413105
   0.44917346  0.13396798  0.47170220
   0.70227869  0.07891780  0.55621253
   0.82570492  0.23811177  0.83827489
   0.60444888  0.32522103  0.52594043
   0.86472053  0.50672838  0.83208842
   0.98117635  0.47179334  0.64778086
   0.70997101  0.37030057  0.70700422
   0.81631994  0.08614105  0.98895461
   0.52555306  0.09615563  0.93356205
   0.55473213  0.53248208  0.04704559
   0.88565090  0.70009271  0.28376131
   0.54208423  0.80461734  0.04491360
   0.87023177  0.96771762  0.30694172
   0.92247852  0.85967045  0.13983148
   0.67282686  0.82248465  0.21432358
   0.84351311  0.69527657  0.46493588
   0.60227020  0.60752850  0.38715492
   0.67734974  0.57747971  0.57947923
   0.81576429  0.76050788  0.79826327
   0.60765485  0.83923254  0.48924411
   0.95810699  0.99168101  0.83442648
   0.99450774  0.86171592  0.68377278
   0.74819005  0.96881784  0.71165732
   0.74164427  0.67616020  0.97171199
   0.50344725  0.69770908  0.87981947
   0.76834502  0.80477522  0.59782593
   0.20538350  0.79212284  0.36203667
   0.91115017  0.27411194  0.05001689
   0.92744553  0.36345000  0.38421129
   0.34398582  0.09800206  0.60362018
   0.24270948  0.75264311  0.73747361
   0.14081507  1.11656997  0.10772578
   0.25665294  1.14502579  0.05097868
   0.63710773  0.41914989  0.86854724
   0.76112713  0.59335631  0.60439777
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861395    0.199247   -0.117293
    -0.000000    9.926425    0.145630
    -0.000000    0.000000   13.888827
   Si   O    H 
    32    64    10
Direct configuration=  2926
   0.18700718  0.23318078 -0.02838090
   0.34846087  0.10126549  0.38715091
   0.15891614  0.43993716  0.12467002
   0.41030239  0.34204006  0.25709676
   0.04973968  0.13415009  0.48593127
   0.42478071  0.12982845  0.84185346
   0.10610523  0.37795588  0.61640356
   0.36878439  0.38375983  0.74160726
   0.14511098  0.70864862  0.00533956
   0.44375465  0.59401063  0.37032015
   0.07723825  0.90913280  0.15039684
   0.32123413  0.83189075  0.26988185
   0.18244857  0.58927898  0.47997401
   0.36238743  0.62487510  0.85620217
   0.09223583  0.84848421  0.58724304
   0.36746295  0.97628804  0.66533887
   0.66131805  0.12420370  1.01578147
   0.82452106  0.12130220  0.32381640
   0.64003245  0.41197035  0.10931881
   0.89964070  0.31354574  0.15578580
   0.60974521  0.17316495  0.48352997
   0.90990535  0.11934464  0.89838290
   0.61279450  0.42653642  0.61783457
   0.75549234  0.38025740  0.81678767
   0.58609147  0.67302929 -0.01635367
   0.92532409  0.60114497  0.37178244
   0.56448343  0.89885586  0.14303668
   0.83305483  0.83770910  0.23469282
   0.67880447  0.69652519  0.47077754
   0.86022928  0.65484498  0.88466273
   0.67357833  0.92668965  0.60548591
   0.87952742  0.89888461  0.76009617
   0.07283076  0.06600026  0.15373310
   0.37731448  0.18924283  0.28592700
   0.16463211  0.37242048  0.01828078
   0.42623485  0.42537921  0.35779230
   0.55073516  0.36470405  0.20147664
   0.30192228  0.42808103  0.18596833
   0.19845534  0.14539930  0.42849145
  -0.06298462  0.17140522  0.40245881
   0.03218425 -0.02920949  0.51538035
   0.46437082  0.24902090  0.76773788
   0.05554587  0.23084328  0.57534473
   0.39210407  0.45694072  0.83889037
   0.45545744  0.46340772  0.65440322
   0.22287948  0.34148667  0.70276903
   0.28096286  0.20773182 -0.11322183
   0.04041371  0.19158309  0.93797107
   0.13885383  0.60050989  0.09535964
   0.40065044  0.68389119  0.27247990
   0.15381617  0.85496273  0.05136344
   0.34302732  0.93687730  0.36113493
   0.41084671  0.90898594  0.18422438
   0.15635986  0.83216937  0.23968471
   0.33748096  0.63195531  0.45599591
   0.08475871  0.60927722  0.38952432
   0.19049009  0.43345305  0.52163131
   0.30037599  0.66641636  0.75377185
   0.11091188  0.69060809  0.55371574
   0.38137452  0.99253638  0.78459023
   0.52140865  0.90935710  0.64875404
   0.24506293  0.87591150  0.62508428
   0.27308683  0.64611630 -0.04642501
   0.00650165  0.69147410  0.93829021
   0.64635182  0.04678662  0.11951237
   0.85324457  0.19725317  0.22880638
   0.64588557  0.29316670  0.03410301
   0.87169886  0.44930752  0.36163664
   0.04272900  0.37473879  0.19128747
   0.78782828  0.44065386  0.15471513
   0.68124375  0.14940676  0.37341084
   0.44861682  0.13370183  0.47285595
   0.70230918  0.07900900  0.55623627
   0.82570437  0.23684879  0.83965789
   0.60485492  0.32693250  0.52425565
   0.86582214  0.50821797  0.83188197
   0.98096735  0.47062398  0.64727937
   0.70834358  0.36902950  0.70663128
   0.81598801  0.08558337  0.98804615
   0.52464899  0.09552489  0.93279301
   0.55411866  0.53253780  0.04676333
   0.88482631  0.69815370  0.28396047
   0.54237787  0.80453276  0.04472113
   0.87055505  0.96829590  0.30657659
   0.92202174  0.85850927  0.13888061
   0.67278370  0.82106165  0.21409708
   0.84719304  0.69379684  0.46452032
   0.60094033  0.60807432  0.38712227
   0.67733080  0.57722874  0.57786032
   0.81539190  0.75976274  0.79822873
   0.60716777  0.84042122  0.49041236
   0.95804164  0.99311536  0.83275955
   0.99656172  0.86365935  0.68392828
   0.74674164  0.96776086  0.71280699
   0.74288678  0.67483777  0.97030151
   0.50153950  0.69646636  0.87969311
   0.76261380  0.80709704  0.59815068
   0.20313167  0.79874796  0.35794038
   0.90917519  0.27461813  0.05384871
   0.92011164  0.36554000  0.38558611
   0.34670870  0.10615241  0.60317986
   0.24410776  0.74981393  0.73868208
   0.14052411  1.11596070  0.10779273
   0.25212296  1.14122786  0.04848193
   0.63383500  0.41904137  0.87243942
   0.77149237  0.59275420  0.61611035
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860642    0.199499   -0.116213
    -0.000000    9.924971    0.142737
    -0.000000    0.000000   13.890695
   Si   O    H 
    32    64    10
Direct configuration=  2927
   0.18665043  0.23197992 -0.02802472
   0.34910140  0.10091606  0.38695806
   0.15924033  0.44025528  0.12418411
   0.40957563  0.34331447  0.25622322
   0.05043144  0.13248862  0.48563302
   0.42574027  0.13106132  0.84212794
   0.10593432  0.37829686  0.61604585
   0.36858268  0.38309498  0.74123348
   0.14386433  0.70813269  0.00533748
   0.44235574  0.59244621  0.36961774
   0.07705410  0.90905410  0.15017498
   0.32124946  0.83227423  0.27103448
   0.18288016  0.58938089  0.48083077
   0.36368318  0.62525010  0.85681674
   0.09210357  0.84932294  0.58719465
   0.36544605  0.97737880  0.66541578
   0.66077441  0.12435370  1.01619346
   0.82468198  0.12126620  0.32492944
   0.64044995  0.41202329  0.10945555
   0.89914522  0.31327168  0.15573594
   0.61057071  0.17302316  0.48352467
   0.91063804  0.12000173  0.89906880
   0.61111211  0.42495675  0.61840357
   0.75455946  0.38037965  0.81682320
   0.58637274  0.67394588 -0.01588268
   0.92438574  0.60054424  0.37214398
   0.56469375  0.89867439  0.14268881
   0.83380313  0.83868042  0.23453595
   0.68005128  0.69618395  0.47099886
   0.86107887  0.65436895  0.88470468
   0.67358921  0.92648432  0.60497335
   0.87895502  0.89907407  0.76089473
   0.07281331  0.06953967  0.15304629
   0.37586804  0.18845598  0.28587004
   0.16560134  0.37464539  0.01805667
   0.42377102  0.42409074  0.35956656
   0.55011334  0.36628418  0.20131817
   0.30252427  0.42990726  0.18612410
   0.20006179  0.14501704  0.42767179
  -0.06366908  0.17257618  0.40242994
   0.03190561 -0.02867274  0.51512267
   0.46330551  0.24807664  0.76846946
   0.05710036  0.23043041  0.57488142
   0.39274091  0.45599213  0.83805986
   0.45567308  0.46325618  0.65388993
   0.22192327  0.34406892  0.70159174
   0.28317372  0.20755128 -0.11306680
   0.04160721  0.19142886  0.93862004
   0.13872572  0.60023537  0.09589198
   0.39807393  0.68339512  0.27260087
   0.15313041  0.85579413  0.05048862
   0.34251950  0.93802366  0.36004598
   0.41199940  0.90755101  0.18587325
   0.15751723  0.83232129  0.23943376
   0.33617591  0.63187333  0.45426639
   0.08611987  0.60745050  0.38897710
   0.18925913  0.43453705  0.52119355
   0.29906037  0.66836071  0.75466234
   0.11126393  0.69002810  0.55421295
   0.38176715  0.99316205  0.78410305
   0.52193098  0.90825424  0.64870535
   0.24690139  0.87587889  0.62536784
   0.27311914  0.64696527 -0.04673460
   0.00589413  0.69002534  0.93933585
   0.64655125  0.04584632  0.11878868
   0.85295398  0.19774937  0.22845969
   0.64637991  0.29227950  0.03490670
   0.87211354  0.45115626  0.36015196
   0.04140689  0.37655125  0.19209536
   0.78636185  0.43983928  0.15436477
   0.68194879  0.14998021  0.37278452
   0.44766728  0.13361100  0.47324191
   0.70276557  0.07821161  0.55601437
   0.82657004  0.23638468  0.84066044
   0.60430334  0.32870253  0.52258631
   0.86688033  0.50955354  0.83251441
   0.98100685  0.46978052  0.64654621
   0.70664625  0.36773367  0.70573063
   0.81528671  0.08469102  0.98711174
   0.52466364  0.09498119  0.93150780
   0.55355515  0.53284158  0.04679353
   0.88399212  0.69674185  0.28393356
   0.54237170  0.80517939  0.04477187
   0.87091248  0.96742979  0.30624207
   0.92210848  0.85786654  0.13821254
   0.67282055  0.82004171  0.21383939
   0.85096453  0.69222201  0.46376467
   0.59984336  0.60902748  0.38720105
   0.67812604  0.57720732  0.57679202
   0.81527545  0.75895251  0.79852759
   0.60698739  0.84159982  0.49121514
   0.95740464  0.99475490  0.83151286
   0.99814896  0.86540368  0.68407241
   0.74526698  0.96680824  0.71369407
   0.74397093  0.67353382  0.96866986
   0.50106849  0.69484100  0.87941131
   0.75756404  0.80450984  0.59855023
   0.20225332  0.80135687  0.35493334
   0.90880785  0.27844923  0.06018036
   0.91203488  0.36522321  0.38583500
   0.34670954  0.10823279  0.60882505
   0.24846408  0.74360375  0.74163890
   0.13620483  1.10812688  0.11279441
   0.24684135  1.13762552  0.04589568
   0.63124335  0.41693002  0.87310018
   0.77568422  0.59710582  0.62381272
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859872    0.199667   -0.115293
    -0.000000    9.923315    0.139767
    -0.000000    0.000000   13.893123
   Si   O    H 
    32    64    10
Direct configuration=  2928
   0.18687206  0.23042515 -0.02735942
   0.34950803  0.10054731  0.38650516
   0.15958993  0.44102627  0.12343463
   0.40892015  0.34467583  0.25557027
   0.05160151  0.13093283  0.48516015
   0.42675522  0.13145852  0.84211418
   0.10594530  0.37904336  0.61585482
   0.36887920  0.38266273  0.74043733
   0.14244538  0.70775935  0.00581443
   0.44053281  0.59037845  0.36899831
   0.07653239  0.90789652  0.14967737
   0.32113634  0.83257639  0.27203167
   0.18328043  0.59030176  0.48193319
   0.36512608  0.62537132  0.85705498
   0.09195227  0.84985276  0.58711476
   0.36366586  0.97774698  0.66551898
   0.66013677  0.12496676  1.01620516
   0.82527319  0.12066305  0.32589991
   0.64015592  0.41263000  0.10904530
   0.89880655  0.31267373  0.15557702
   0.61122328  0.17259451  0.48376874
   0.91131734  0.12110735  0.89946240
   0.60994478  0.42378939  0.61935361
   0.75342722  0.38070502  0.81701173
   0.58632212  0.67455270 -0.01557026
   0.92367191  0.60033489  0.37259442
   0.56444299  0.89811787  0.14223460
   0.83415177  0.83952117  0.23416131
   0.68166115  0.69552371  0.47115886
   0.86184706  0.65409450  0.88509099
   0.67301354  0.92641170  0.60472757
   0.87863759  0.89901318  0.76143365
   0.07292691  0.07243965  0.15272998
   0.37542794  0.18701438  0.28585455
   0.16664130  0.37724343  0.01741221
   0.42152361  0.42408194  0.36075220
   0.54983568  0.36759579  0.20189460
   0.30285471  0.43168550  0.18642350
   0.20103731  0.14518289  0.42678541
  -0.06435428  0.17367906  0.40260050
   0.03056864 -0.02873474  0.51474757
   0.46189081  0.24711277  0.76905250
   0.05816595  0.23036891  0.57425003
   0.39346266  0.45613100  0.83746091
   0.45565582  0.46291317  0.65368981
   0.22097782  0.34669211  0.70060065
   0.28657588  0.20721866 -0.11352191
   0.04244947  0.19109146  0.93923549
   0.13914239  0.59922983  0.09625247
   0.39593649  0.68286264  0.27305588
   0.15199565  0.85731711  0.04957111
   0.34240405  0.94022723  0.35851617
   0.41309019  0.90630315  0.18756365
   0.15891363  0.83214051  0.23897260
   0.33460088  0.63275014  0.45275429
   0.08692229  0.60541186  0.38783158
   0.18854281  0.43501117  0.52135724
   0.29893878  0.66983650  0.75576303
   0.11180958  0.68940106  0.55456063
   0.38132370  0.99455407  0.78405525
   0.52139844  0.90767124  0.64802168
   0.24920157  0.87571917  0.62583293
   0.27281940  0.64704028 -0.04692690
   0.00544617  0.68910434  0.94073173
   0.64699074  0.04463541  0.11825997
   0.85259503  0.19851812  0.22829480
   0.64651758  0.29088164  0.03535627
   0.87252668  0.45302364  0.35891662
   0.04059050  0.37846244  0.19238658
   0.78528060  0.43911971  0.15453733
   0.68249140  0.15069326  0.37266667
   0.44754102  0.13331390  0.47312490
   0.70223416  0.07650691  0.55520387
   0.82630700  0.23507267  0.84180930
   0.60345733  0.33005550  0.52104799
   0.86678745  0.51035960  0.83331276
   0.98084761  0.46875232  0.64589097
   0.70539528  0.36677277  0.70491040
   0.81417748  0.08359257  0.98574299
   0.52489584  0.09444141  0.93093321
   0.55414014  0.53276472  0.04691265
   0.88329928  0.69617879  0.28378947
   0.54207341  0.80590862  0.04483109
   0.87054102  0.96599387  0.30569592
   0.92216223  0.85696956  0.13730123
   0.67309685  0.81973248  0.21343747
   0.85369683  0.69081577  0.46257667
   0.59963469  0.60965779  0.38740124
   0.67906035  0.57790213  0.57630705
   0.81524219  0.75820687  0.79860921
   0.60688165  0.84224803  0.49177584
   0.95647547  0.99577601  0.83091498
   1.00014978  0.86683751  0.68360691
   0.74380351  0.96577277  0.71472402
   0.74544730  0.67202924  0.96718545
   0.50083824  0.69376782  0.87952568
   0.75596341  0.80092284  0.60094612
   0.19925024  0.79371486  0.35754000
   0.90572130  0.28054255  0.06316214
   0.90482044  0.36681392  0.38636494
   0.34620364  0.10870945  0.61652344
   0.24260683  0.75601213  0.74219982
   0.13979784  1.10841639  0.11447566
   0.24102470  1.13673386  0.04509476
   0.63139758  0.41328546  0.87448573
   0.77190122  0.60473223  0.62454107
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858870    0.199811   -0.114171
    -0.000000    9.922090    0.136582
    -0.000000    0.000000   13.895474
   Si   O    H 
    32    64    10
Direct configuration=  2929
   0.18705085  0.22919496 -0.02702222
   0.34959819  0.09997132  0.38625419
   0.15954121  0.44194848  0.12255378
   0.40823546  0.34642505  0.25494838
   0.05328028  0.12891565  0.48454226
   0.42755455  0.13212719  0.84231615
   0.10689947  0.37974746  0.61577533
   0.36905858  0.38194649  0.73958857
   0.14135995  0.70752685  0.00640754
   0.43905681  0.58837027  0.36836361
   0.07646678  0.90720056  0.14905838
   0.32089706  0.83252360  0.27286908
   0.18377773  0.59120705  0.48237343
   0.36588367  0.62497687  0.85732773
   0.09207595  0.85096851  0.58744656
   0.36287182  0.97789460  0.66535611
   0.65871418  0.12454741  1.01631236
   0.82608002  0.12024192  0.32699195
   0.64013226  0.41370694  0.10849311
   0.89871145  0.31232271  0.15562805
   0.61200964  0.17242763  0.48401486
   0.91194203  0.12204227  0.89983325
   0.60923207  0.42364993  0.62020075
   0.75266354  0.38071458  0.81730763
   0.58539198  0.67522017 -0.01540278
   0.92302156  0.60052420  0.37304546
   0.56413421  0.89738074  0.14181553
   0.83385735  0.84030672  0.23407220
   0.68315787  0.69510205  0.47093373
   0.86219083  0.65350907  0.88543637
   0.67277639  0.92664388  0.60432079
   0.87881718  0.89856287  0.76157214
   0.07247434  0.07526833  0.15232222
   0.37451364  0.18564626  0.28566886
   0.16820006  0.37889801  0.01686259
   0.41876807  0.42361256  0.36145794
   0.54944398  0.36888225  0.20168519
   0.30316885  0.43384218  0.18648773
   0.20193212  0.14531151  0.42629429
  -0.06469974  0.17409580  0.40371980
   0.02896216 -0.02838877  0.51526658
   0.46232027  0.24606988  0.76917916
   0.05973715  0.23074754  0.57371832
   0.39403737  0.45668056  0.83685432
   0.45567528  0.46258149  0.65381458
   0.21964091  0.34917413  0.70005432
   0.29004446  0.20621412 -0.11448884
   0.04360491  0.19042116  0.94065139
   0.13890041  0.59903822  0.09631331
   0.39393060  0.68175060  0.27337799
   0.15067383  0.85830671  0.04876408
   0.34268422  0.94268346  0.35670042
   0.41480548  0.90551681  0.18885680
   0.16055559  0.83288993  0.23929185
   0.33238986  0.63381746  0.45072727
   0.08731308  0.60418949  0.38637659
   0.18807384  0.43569361  0.52151875
   0.29845070  0.67231056  0.75658343
   0.11254630  0.69001679  0.55485239
   0.38083897  0.99538544  0.78440820
   0.52022887  0.90804241  0.64794441
   0.25124326  0.87618345  0.62654375
   0.27263768  0.64745362 -0.04716587
   0.00512520  0.68887724  0.94187140
   0.64797919  0.04306028  0.11777660
   0.85193050  0.19923320  0.22796477
   0.64748924  0.28912271  0.03553933
   0.87213000  0.45449246  0.35770002
   0.03922778  0.38028975  0.19177702
   0.78479888  0.43900537  0.15478681
   0.68218479  0.15193700  0.37195141
   0.44902598  0.13285417  0.47290143
   0.70112574  0.07478072  0.55518110
   0.82610891  0.23474363  0.84257533
   0.60380715  0.33113400  0.51960652
   0.86582369  0.50973201  0.83395765
   0.98030263  0.46802360  0.64476261
   0.70350267  0.36512341  0.70465322
   0.81327063  0.08226084  0.98490441
   0.52546786  0.09490870  0.93069241
   0.55562826  0.53224743  0.04704028
   0.88292775  0.69630476  0.28367932
   0.54335340  0.80662781  0.04531510
   0.86946361  0.96416763  0.30499273
   0.92278566  0.85627754  0.13641673
   0.67366724  0.81918885  0.21310428
   0.85553550  0.68988877  0.46110316
   0.59973505  0.61087641  0.38778475
   0.68005937  0.57892353  0.57626866
   0.81557491  0.75657072  0.79869740
   0.60739271  0.84285796  0.49235814
   0.95590623  0.99655550  0.83050210
   1.00172805  0.86797804  0.68324833
   0.74290510  0.96594952  0.71525604
   0.74688367  0.67041714  0.96554996
   0.50122563  0.69259168  0.87975858
   0.75869936  0.79901410  0.60463023
   0.19601195  0.78561805  0.35671188
   0.90008611  0.27807827  0.05821079
   0.89932742  0.36835638  0.38763454
   0.34558553  0.10897376  0.62416975
   0.24467341  0.76303150  0.74345110
   0.14925679  1.11099716  0.11228430
   0.23945973  1.13485322  0.04670072
   0.63194977  0.40930673  0.87568490
   0.76095739  0.60896625  0.61728713
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857963    0.200299   -0.112958
    -0.000000    9.920890    0.133214
    -0.000000    0.000000   13.897624
   Si   O    H 
    32    64    10
Direct configuration=  2930
   0.18749977  0.22826506 -0.02672316
   0.34934109  0.09898925  0.38592048
   0.15932360  0.44284431  0.12230192
   0.40783612  0.34786805  0.25446219
   0.05443315  0.12664538  0.48348633
   0.42804873  0.13273913  0.84281100
   0.10772856  0.38057171  0.61533028
   0.36908869  0.38144147  0.73876569
   0.14103228  0.70743723  0.00661587
   0.43758001  0.58628920  0.36753081
   0.07648377  0.90700207  0.14855501
   0.32061907  0.83191373  0.27349250
   0.18431428  0.59164909  0.48228541
   0.36545029  0.62446951  0.85748390
   0.09290957  0.85138457  0.58796183
   0.36234006  0.97842016  0.66506489
   0.65727980  0.12438589  1.01602202
   0.82644802  0.12031697  0.32828971
   0.64019471  0.41433477  0.10809964
   0.89815724  0.31256020  0.15578172
   0.61227825  0.17236716  0.48407510
   0.91303869  0.12259461  0.90025986
   0.60799791  0.42333733  0.62076570
   0.75202485  0.38045649  0.81759182
   0.58497663  0.67519548 -0.01470594
   0.92310110  0.60120699  0.37331732
   0.56372781  0.89688508  0.14161532
   0.83341422  0.84022732  0.23396804
   0.68441171  0.69510729  0.47099641
   0.86281432  0.65290602  0.88564632
   0.67231685  0.92696831  0.60407812
   0.87914273  0.89747399  0.76102200
   0.07189322  0.07761282  0.15167875
   0.37332931  0.18398155  0.28553308
   0.16923423  0.38002417  0.01580476
   0.41688415  0.42398525  0.36172796
   0.54873302  0.36991874  0.20090157
   0.30399088  0.43575759  0.18654876
   0.20222568  0.14601208  0.42612119
  -0.06451976  0.17509415  0.40455592
   0.02804505 -0.02748796  0.51612023
   0.46300276  0.24533258  0.76902893
   0.06050459  0.23083120  0.57335089
   0.39391172  0.45811034  0.83621081
   0.45576550  0.46182140  0.65431995
   0.21839586  0.35137502  0.69934134
   0.29301944  0.20527980 -0.11505907
   0.04390558  0.18973272  0.94216964
   0.13921526  0.59949182  0.09647204
   0.39201200  0.68099039  0.27380594
   0.14931005  0.85940081  0.04844274
   0.34307479  0.94536540  0.35454844
   0.41631457  0.90530559  0.19001362
   0.16240997  0.83308637  0.24002390
   0.33041355  0.63436452  0.44878189
   0.08729815  0.60282607  0.38518547
   0.18809851  0.43688144  0.52153985
   0.29792124  0.67486403  0.75635531
   0.11292679  0.69170479  0.55485708
   0.37971876  0.99570245  0.78433634
   0.51894741  0.90883446  0.64804714
   0.25261236  0.87721185  0.62666519
   0.27269429  0.64834353 -0.04710179
   0.00493850  0.68870859  0.94254695
   0.64859256  0.04178345  0.11693425
   0.85180509  0.19931856  0.22751485
   0.64966768  0.28745752  0.03582979
   0.87174176  0.45599074  0.35713855
   0.03827152  0.38138490  0.19058134
   0.78476458  0.43940421  0.15501795
   0.68186779  0.15268018  0.37183692
   0.45162145  0.13172550  0.47222005
   0.69962251  0.07400414  0.55499891
   0.82569806  0.23465828  0.84316342
   0.60448614  0.33163326  0.51834789
   0.86453984  0.50857102  0.83508821
   0.98057067  0.46716183  0.64397498
   0.70270066  0.36401974  0.70395602
   0.81179765  0.08073309  0.98425726
   0.52598229  0.09595684  0.93040876
   0.55752008  0.53258172  0.04737612
   0.88247681  0.69582218  0.28350994
   0.54416897  0.80706731  0.04600542
   0.86855862  0.96225234  0.30414085
   0.92354164  0.85475394  0.13559768
   0.67328061  0.81907871  0.21262292
   0.85633986  0.68939458  0.45935037
   0.59894691  0.61168029  0.38825292
   0.68180560  0.57997822  0.57710744
   0.81602175  0.75522490  0.79844607
   0.60835192  0.84285436  0.49197135
   0.95510589  0.99771986  0.83060262
   1.00269912  0.86815581  0.68280004
   0.74163691  0.96580678  0.71566879
   0.74782009  0.66889232  0.96415007
   0.50165963  0.69156451  0.88075206
   0.76342361  0.79806860  0.60530301
   0.19409917  0.77720470  0.35692790
   0.89149125  0.27761206  0.05130419
   0.89920898  0.36970063  0.38754280
   0.34234954  0.11358594  0.62930411
   0.25211146  0.76239910  0.74414833
   0.15281980  1.11027460  0.11492864
   0.24575355  1.13173546  0.04783827
   0.63446164  0.40526635  0.87828948
   0.74714523  0.61016482  0.60977774
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857060    0.200921   -0.111677
    -0.000000    9.919553    0.129596
    -0.000000    0.000000   13.899535
   Si   O    H 
    32    64    10
Direct configuration=  2931
   0.18811802  0.22734400 -0.02646801
   0.34908394  0.09838216  0.38589342
   0.15902668  0.44335222  0.12218002
   0.40776341  0.34949789  0.25416252
   0.05533450  0.12496074  0.48240897
   0.42763794  0.13316447  0.84325571
   0.10797086  0.38097162  0.61451108
   0.36851502  0.38002700  0.73818279
   0.14045465  0.70713955  0.00692860
   0.43624688  0.58442406  0.36668485
   0.07679382  0.90707719  0.14833578
   0.32136834  0.83169147  0.27391932
   0.18490197  0.59218123  0.48205070
   0.36510879  0.62395977  0.85771548
   0.09371063  0.85177724  0.58851791
   0.36239341  0.97865855  0.66492178
   0.65589293  0.12429121  1.01546545
   0.82708452  0.11952474  0.32916055
   0.64016841  0.41431772  0.10761634
   0.89732160  0.31211374  0.15586803
   0.61217152  0.17205654  0.48413477
   0.91408937  0.12266591  0.90065035
   0.60676247  0.42283386  0.62102666
   0.75165177  0.37997866  0.81799494
   0.58524114  0.67593436 -0.01414344
   0.92358795  0.60215470  0.37348446
   0.56322225  0.89669343  0.14143330
   0.83339783  0.84000406  0.23357009
   0.68593802  0.69622923  0.47091525
   0.86321017  0.65237844  0.88573681
   0.67199933  0.92674639  0.60399168
   0.87900386  0.89624383  0.76019283
   0.07153850  0.07930999  0.15092781
   0.37146489  0.18259449  0.28513143
   0.17104875  0.38025027  0.01436582
   0.41553412  0.42413011  0.36174673
   0.54836708  0.37091656  0.19958766
   0.30416008  0.43651119  0.18656485
   0.20206936  0.14622584  0.42575520
  -0.06430261  0.17632311  0.40550836
   0.02780416 -0.02696744  0.51685564
   0.46375757  0.24494530  0.76908449
   0.06155942  0.23041491  0.57354962
   0.39359453  0.45940728  0.83673354
   0.45609496  0.46058826  0.65439617
   0.21852564  0.35401294  0.69878331
   0.29538453  0.20397931 -0.11544727
   0.04411085  0.18910138  0.94330005
   0.13852094  0.60046784  0.09632787
   0.38958703  0.68036047  0.27412226
   0.14808969  0.85879511  0.04807061
   0.34310286  0.94745151  0.35252041
   0.41811441  0.90570491  0.19043959
   0.16383992  0.83301167  0.24087415
   0.33029977  0.63520913  0.44703761
   0.08752293  0.60175289  0.38390400
   0.18816515  0.43879980  0.52131103
   0.29691367  0.67820346  0.75583554
   0.11338710  0.69400007  0.55484721
   0.37852095  0.99607433  0.78403698
   0.51761573  0.90888293  0.64834072
   0.25324676  0.87832434  0.62608256
   0.27278414  0.64979822 -0.04742019
   0.00424213  0.68857945  0.94205008
   0.64904385  0.04058928  0.11659480
   0.85179154  0.19872055  0.22724435
   0.65147687  0.28629288  0.03580456
   0.87112455  0.45696741  0.35675840
   0.03699517  0.38358114  0.18886096
   0.78495065  0.44005253  0.15516148
   0.68051345  0.15371434  0.37205814
   0.45420409  0.13111787  0.47097145
   0.69880070  0.07260605  0.55486205
   0.82558635  0.23525205  0.84337004
   0.60525803  0.33277782  0.51761673
   0.86358143  0.50716721  0.83556444
   0.98017798  0.46677684  0.64280483
   0.70280997  0.36270354  0.70287073
   0.81041812  0.07790104  0.98363489
   0.52769023  0.09692410  0.93058307
   0.55980600  0.53383633  0.04795637
   0.88173868  0.69490206  0.28314721
   0.54484655  0.80769971  0.04654716
   0.86802241  0.96095440  0.30338310
   0.92385821  0.85277170  0.13476396
   0.67368605  0.81903509  0.21231953
   0.85626755  0.68894165  0.45821335
   0.59896465  0.61169873  0.38867309
   0.68286041  0.58002921  0.57655589
   0.81732661  0.75440916  0.79776737
   0.60977995  0.84176234  0.49124456
   0.95484473  0.99887079  0.83094485
   1.00328344  0.86786482  0.68260793
   0.74117809  0.96613544  0.71622608
   0.74761477  0.66709255  0.96361006
   0.50385554  0.69050627  0.88157872
   0.76836488  0.79625889  0.60570301
   0.19411889  0.77193201  0.35717812
   0.88433777  0.28270649  0.04829205
   0.89713308  0.37212508  0.38607331
   0.33775585  0.11917371  0.63236698
   0.25958717  0.76125744  0.74457283
   0.15402346  1.10689301  0.12012331
   0.25463673  1.12937420  0.04704119
   0.63434739  0.40156875  0.87898911
   0.76378893  0.62855867  0.61687009
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856029    0.201827   -0.110562
    -0.000000    9.918273    0.125876
    -0.000000    0.000000   13.901454
   Si   O    H 
    32    64    10
Direct configuration=  2932
   0.18888856  0.22685012 -0.02638640
   0.34846447  0.09830482  0.38622068
   0.15959409  0.44444203  0.12223827
   0.40809825  0.35112739  0.25359254
   0.05655208  0.12314473  0.48116439
   0.42764343  0.13389625  0.84346243
   0.10716910  0.38128678  0.61400870
   0.36826598  0.37899897  0.73769196
   0.14033364  0.70666958  0.00654969
   0.43636691  0.58287632  0.36600301
   0.07666680  0.90772299  0.14779389
   0.32178633  0.83131618  0.27401224
   0.18494675  0.59257992  0.48167999
   0.36441790  0.62372527  0.85764806
   0.09453234  0.85243483  0.58896141
   0.36261393  0.97954232  0.66508760
   0.65456765  0.12420113  1.01485702
   0.82778341  0.11869665  0.32936964
   0.63989078  0.41468709  0.10738248
   0.89631012  0.31172550  0.15599841
   0.61226613  0.17187361  0.48403050
   0.91477209  0.12247351  0.90092216
   0.60569346  0.42259080  0.62095573
   0.75194485  0.37962646  0.81830636
   0.58533646  0.67631183 -0.01352058
   0.92437747  0.60308379  0.37380598
   0.56291451  0.89678289  0.14111647
   0.83400171  0.83940376  0.23354637
   0.68764703  0.69741009  0.47093646
   0.86409504  0.65180322  0.88572154
   0.67147637  0.92730261  0.60385367
   0.87953368  0.89472171  0.75914150
   0.07162758  0.07978994  0.15030325
   0.37011448  0.18196969  0.28480601
   0.17334597  0.38053120  0.01258695
   0.41423065  0.42500669  0.36119115
   0.54725404  0.37121168  0.19828731
   0.30371616  0.43653832  0.18638264
   0.20173523  0.14649149  0.42586748
  -0.06382165  0.17741492  0.40612324
   0.02772543 -0.02727535  0.51783103
   0.46528794  0.24494493  0.76879856
   0.06298967  0.22924843  0.57361489
   0.39320801  0.46052759  0.83710908
   0.45592260  0.45979561  0.65485263
   0.21895932  0.35573624  0.69861688
   0.29606564  0.20287892 -0.11521993
   0.04396305  0.18823642  0.94451209
   0.13850117  0.60119052  0.09673696
   0.38713583  0.67989796  0.27458726
   0.14690292  0.85888731  0.04768189
   0.34350888  0.94922121  0.35125620
   0.41888614  0.90596875  0.19063456
   0.16466139  0.83326693  0.24090907
   0.33050170  0.63633251  0.44546498
   0.08742576  0.59984768  0.38284688
   0.18863487  0.44053372  0.52063707
   0.29642635  0.67991544  0.75603705
   0.11472312  0.69646956  0.55475391
   0.37725488  0.99603671  0.78422528
   0.51637189  0.90884092  0.64886130
   0.25342746  0.87956872  0.62490618
   0.27289782  0.65157819 -0.04701756
   0.00451363  0.68881078  0.94137961
   0.64865226  0.03933765  0.11634021
   0.85221861  0.19774439  0.22804677
   0.65266299  0.28492926  0.03536696
   0.87067123  0.45745118  0.35577642
   0.03559128  0.38517483  0.18706351
   0.78580283  0.44135534  0.15534526
   0.67769254  0.15463059  0.37294404
   0.45646631  0.13101684  0.46969629
   0.69868932  0.07195141  0.55455612
   0.82488190  0.23662288  0.84426551
   0.60686933  0.33343482  0.51717395
   0.86219048  0.50593999  0.83583644
   0.97974928  0.46564173  0.64141620
   0.70319931  0.36176310  0.70208820
   0.80980315  0.07524065  0.98366324
   0.52959692  0.09792471  0.93152936
   0.56108990  0.53513217  0.04852280
   0.88098473  0.69462235  0.28204171
   0.54605938  0.80817892  0.04661787
   0.86620204  0.96010719  0.30244267
   0.92395402  0.85007206  0.13365520
   0.67428448  0.81905981  0.21223872
   0.85460366  0.68904217  0.45696648
   0.59976635  0.61164947  0.38919641
   0.68505683  0.58063698  0.57560567
   0.81864804  0.75377287  0.79742490
   0.61142062  0.84050487  0.49081925
   0.95428011  1.00025400  0.83125505
   1.00408795  0.86718869  0.68265315
   0.73977893  0.96601279  0.71629821
   0.74712725  0.66521951  0.96344563
   0.50716669  0.68980378  0.88199295
   0.77300685  0.79900203  0.60449721
   0.19519645  0.76878660  0.35798114
   0.87976257  0.28879686  0.05201813
   0.89523143  0.37307171  0.38686750
   0.33044547  0.12165094  0.63544045
   0.25870910  0.77736780  0.74493629
   0.15962818  1.10575679  0.12580562
   0.26293759  1.12775222  0.04322080
   0.63420306  0.40147171  0.87958422
   0.77181328  0.64051880  0.62221768
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854681    0.202727   -0.109382
    -0.000000    9.916785    0.122660
    -0.000000    0.000000   13.903288
   Si   O    H 
    32    64    10
Direct configuration=  2933
   0.19010213  0.22623640 -0.02645695
   0.34817657  0.09815152  0.38636364
   0.16016315  0.44599637  0.12247051
   0.40853100  0.35251958  0.25371768
   0.05778907  0.12160625  0.48026749
   0.42698350  0.13387500  0.84372260
   0.10597699  0.38135009  0.61340212
   0.36875716  0.37795106  0.73734842
   0.13994063  0.70579013  0.00579636
   0.43674721  0.58126016  0.36512116
   0.07717034  0.90828443  0.14717904
   0.32205791  0.83119369  0.27405650
   0.18496643  0.59205832  0.48145125
   0.36326941  0.62365174  0.85766301
   0.09520368  0.85255391  0.58937977
   0.36340803  0.98071118  0.66539288
   0.65407890  0.12389505  1.01455573
   0.82850776  0.11857143  0.32960269
   0.63978004  0.41429681  0.10722142
   0.89545516  0.31185845  0.15586213
   0.61238175  0.17165529  0.48389661
   0.91509872  0.12177503  0.90154902
   0.60480534  0.42212763  0.62066980
   0.75190928  0.37906069  0.81849191
   0.58538131  0.67667972 -0.01327181
   0.92507123  0.60358915  0.37379332
   0.56277590  0.89705420  0.14142511
   0.83452162  0.83880590  0.23333510
   0.68928646  0.69808513  0.47125984
   0.86448303  0.65082912  0.88579847
   0.67069537  0.92752592  0.60365135
   0.87999896  0.89412009  0.75790125
   0.07156745  0.07878213  0.14997463
   0.36969921  0.18239445  0.28438685
   0.17622593  0.38128160  0.01071864
   0.41347586  0.42582188  0.36105705
   0.54636637  0.37134809  0.19715600
   0.30314428  0.43689938  0.18590847
   0.20129076  0.14664783  0.42638602
  -0.06355963  0.17898276  0.40692148
   0.02803681 -0.02824298  0.51852734
   0.46704908  0.24545752  0.76813455
   0.06394342  0.22733556  0.57416372
   0.39287611  0.46108202  0.83827674
   0.45527044  0.45918345  0.65500807
   0.21938173  0.35691278  0.69876726
   0.29672675  0.20213557 -0.11482890
   0.04238876  0.18717402  0.94559618
   0.13781904  0.60204853  0.09661314
   0.38458193  0.67935095  0.27565251
   0.14604865  0.85875531  0.04775029
   0.34394149  0.95030803  0.35035269
   0.41911101  0.90623124  0.19123124
   0.16476308  0.83369886  0.24077058
   0.33065398  0.63704796  0.44420853
   0.08793961  0.59822494  0.38204792
   0.18905499  0.44235823  0.52006318
   0.29541510  0.68210814  0.75624373
   0.11545649  0.69968417  0.55415358
   0.37586674  0.99645987  0.78406953
   0.51442056  0.90900315  0.64923559
   0.25328919  0.88085070  0.62389557
   0.27328151  0.65333805 -0.04645021
   0.00521024  0.68867625  0.94097053
   0.64712081  0.03846570  0.11636910
   0.85274106  0.19684961  0.22920350
   0.65408876  0.28351751  0.03533640
   0.87044355  0.45724105  0.35518589
   0.03426054  0.38582282  0.18544483
   0.78690081  0.44197788  0.15567995
   0.67534311  0.15468541  0.37377029
   0.45889864  0.13128513  0.46858780
   0.69876927  0.07246008  0.55413109
   0.82405082  0.23773756  0.84555434
   0.60883961  0.33398775  0.51736103
   0.86156102  0.50470180  0.83633679
   0.98000151  0.46464631  0.64082505
   0.70400467  0.36096203  0.70185772
   0.80915316  0.07260936  0.98418230
   0.53138980  0.09816378  0.93318857
   0.56198051  0.53549483  0.04869276
   0.87948254  0.69463960  0.28143116
   0.54674861  0.80833042  0.04604432
   0.86402537  0.96117001  0.30239088
   0.92405777  0.84852349  0.13281939
   0.67489882  0.81907763  0.21222715
   0.85266055  0.68907770  0.45645420
   0.59970431  0.61151173  0.38937884
   0.68775642  0.58116973  0.57503263
   0.81954685  0.75326012  0.79732326
   0.61300628  0.83922235  0.49051857
   0.95369063  1.00068783  0.83132893
   1.00451994  0.86614230  0.68297759
   0.73894986  0.96628432  0.71580421
   0.74641179  0.66420445  0.96360736
   0.51065920  0.68861238  0.88265871
   0.77766388  0.80240687  0.60344240
   0.19540430  0.76782268  0.35924951
   0.88091475  0.29460130  0.05631163
   0.89248829  0.37282280  0.38593224
   0.32195022  0.12156987  0.63697164
   0.26232357  0.77989151  0.74640364
   0.16821040  1.10538017  0.13080691
   0.26862277  1.13103405  0.04100050
   0.63196303  0.40126135  0.87773927
   0.77010086  0.63945216  0.62118821
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853408    0.203095   -0.108632
    -0.000000    9.915149    0.119035
    -0.000000    0.000000   13.905309
   Si   O    H 
    32    64    10
Direct configuration=  2934
   0.19116296  0.22610530 -0.02638503
   0.34715760  0.09850791  0.38619529
   0.16048554  0.44722377  0.12305719
   0.40907332  0.35296227  0.25383246
   0.05863216  0.12061214  0.47993808
   0.42625501  0.13258301  0.84383006
   0.10488178  0.38069058  0.61265469
   0.36956988  0.37707432  0.73676520
   0.13955318  0.70479794  0.00506842
   0.43709934  0.58107786  0.36421074
   0.07755432  0.90917343  0.14635214
   0.32299024  0.83150570  0.27386373
   0.18551577  0.59190080  0.48116493
   0.36229125  0.62324862  0.85721069
   0.09676648  0.85175258  0.58958349
   0.36422130  0.98225511  0.66606697
   0.65411760  0.12383251  1.01400737
   0.82868304  0.11869264  0.32995138
   0.63920065  0.41425691  0.10743485
   0.89468932  0.31331009  0.15589363
   0.61281763  0.17196041  0.48358435
   0.91482500  0.12110217  0.90219299
   0.60459026  0.42166123  0.61962507
   0.75202957  0.37864104  0.81876245
   0.58589062  0.67763704 -0.01288686
   0.92570064  0.60361017  0.37384772
   0.56301265  0.89749611  0.14146274
   0.83532090  0.83819370  0.23310952
   0.69060992  0.69912273  0.47120694
   0.86529412  0.64998832  0.88572258
   0.66958155  0.92730617  0.60339735
   0.87993909  0.89388583  0.75640402
   0.07201646  0.07852498  0.14949023
   0.36902133  0.18351176  0.28362982
   0.17902017  0.38224888  0.00933186
   0.41249386  0.42574437  0.36073232
   0.54512891  0.37136860  0.19637271
   0.30207086  0.43684649  0.18552518
   0.20179211  0.14713557  0.42720964
  -0.06325582  0.18044698  0.40756891
   0.02851510 -0.02996047  0.51877525
   0.46871460  0.24633652  0.76718981
   0.06525609  0.22444454  0.57484548
   0.39173363  0.46108101  0.83930466
   0.45502266  0.45901652  0.65475433
   0.22016171  0.35798736  0.69939973
   0.29651076  0.20193504 -0.11402077
   0.04084747  0.18661687  0.94688615
   0.13847649  0.60329809  0.09663937
   0.38325127  0.67852736  0.27675315
   0.14565646  0.85888787  0.04747077
   0.34507127  0.95000638  0.34973586
   0.41840000  0.90694930  0.19177142
   0.16409431  0.83449272  0.24078918
   0.33055841  0.63827138  0.44375587
   0.08905012  0.59625525  0.38140478
   0.18983027  0.44429727  0.51960665
   0.29369686  0.68494438  0.75662995
   0.11572857  0.70251680  0.55325420
   0.37512079  0.99657210  0.78359974
   0.51204243  0.90927013  0.64925990
   0.25254922  0.88215640  0.62258157
   0.27387320  0.65495250 -0.04649162
   0.00603828  0.68811893  0.94009582
   0.64566432  0.03774475  0.11613259
   0.85344039  0.19663539  0.23020054
   0.65594021  0.28244508  0.03518196
   0.86961190  0.45731913  0.35464139
   0.03341408  0.38637478  0.18411740
   0.78819185  0.44288547  0.15599304
   0.67284635  0.15443843  0.37510412
   0.46043825  0.13084792  0.46749706
   0.69939817  0.07387999  0.55372906
   0.82310681  0.23853474  0.84652202
   0.61061110  0.33395616  0.51776569
   0.86094821  0.50282810  0.83609096
   0.98011316  0.46454259  0.63995468
   0.70480661  0.36125813  0.70192455
   0.80872095  0.06983630  0.98397632
   0.53343160  0.09836834  0.93474176
   0.56279036  0.53570212  0.04868483
   0.87856018  0.69498676  0.28041262
   0.54761062  0.80811289  0.04547066
   0.86273980  0.96257060  0.30279739
   0.92396217  0.84766321  0.13278680
   0.67560938  0.81900063  0.21229651
   0.85021588  0.68867191  0.45596156
   0.59963056  0.61082843  0.39000823
   0.69044831  0.58172613  0.57520053
   0.82053026  0.75265401  0.79727027
   0.61500193  0.83787835  0.49023330
   0.95285536  1.00100104  0.83158122
   1.00487364  0.86467386  0.68294226
   0.73893654  0.96673713  0.71537335
   0.74685958  0.66356157  0.96380206
   0.51291288  0.68809978  0.88319273
   0.78396313  0.80862996  0.60331552
   0.19273866  0.76667056  0.36236367
   0.88252101  0.29691876  0.05643113
   0.89355748  0.37041488  0.38708166
   0.31470940  0.11940643  0.63734254
   0.26955451  0.77459035  0.74969579
   0.16778313  1.09966771  0.13453926
   0.27378593  1.13717199  0.04116321
   0.63139962  0.40228919  0.87698575
   0.75701333  0.63382126  0.61599100
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851992    0.203234   -0.108238
    -0.000000    9.913780    0.115263
    -0.000000    0.000000   13.907389
   Si   O    H 
    32    64    10
Direct configuration=  2935
   0.19162363  0.22573778 -0.02608011
   0.34645308  0.09971814  0.38573168
   0.16127528  0.44821375  0.12300817
   0.40837858  0.35307646  0.25413542
   0.05916141  0.12065645  0.48013486
   0.42608349  0.13192602  0.84365048
   0.10413964  0.37910616  0.61226131
   0.37038087  0.37633351  0.73650438
   0.13868777  0.70430236  0.00465890
   0.43841260  0.58102683  0.36355408
   0.07817675  0.91036361  0.14598159
   0.32383656  0.83131008  0.27340564
   0.18605941  0.59159230  0.48051174
   0.36148248  0.62275944  0.85686097
   0.09816336  0.85162293  0.59002238
   0.36558771  0.98358262  0.66655291
   0.65443324  0.12368814  1.01417447
   0.82799336  0.11917073  0.33020361
   0.63846058  0.41386344  0.10767528
   0.89424272  0.31470007  0.15521587
   0.61353602  0.17253012  0.48331611
   0.91398455  0.12032289  0.90250006
   0.60426766  0.42067674  0.61841701
   0.75209696  0.37850159  0.81889697
   0.58747520  0.67811187 -0.01246797
   0.92701470  0.60423429  0.37429622
   0.56443564  0.89820331  0.14173554
   0.83600367  0.83763241  0.23282558
   0.69155629  0.69963568  0.47078820
   0.86597353  0.64919185  0.88546099
   0.66876729  0.92635511  0.60346623
   0.87957641  0.89347986  0.75536974
   0.07230951  0.07847986  0.14911034
   0.36897020  0.18527528  0.28232670
   0.18098118  0.38318660  0.00847142
   0.41078345  0.42483706  0.36003053
   0.54462000  0.37118835  0.19660038
   0.30099875  0.43616412  0.18543819
   0.20207513  0.14750342  0.42844934
  -0.06316928  0.18238787  0.40784092
   0.02879584 -0.03132820  0.51864820
   0.47051381  0.24764387  0.76579716
   0.06679434  0.22154381  0.57562592
   0.39080049  0.46114041  0.84040438
   0.45489173  0.45846197  0.65460967
   0.22132316  0.35896458  0.70004462
   0.29508617  0.20222924 -0.11285934
   0.03981057  0.18560453  0.94803207
   0.13866876  0.60414564  0.09635557
   0.38190731  0.67716051  0.27779511
   0.14524896  0.85907714  0.04728314
   0.34578556  0.94919001  0.34944399
   0.41700793  0.90734356  0.19222498
   0.16324521  0.83456148  0.24032202
   0.33120110  0.63870925  0.44350487
   0.08963281  0.59528863  0.38145295
   0.19003984  0.44613275  0.51945435
   0.29245208  0.68647625  0.75694754
   0.11571578  0.70365723  0.55224242
   0.37408996  0.99683836  0.78321627
   0.51003658  0.91007721  0.64960529
   0.25184463  0.88359244  0.62163461
   0.27523489  0.65625245 -0.04717544
   0.00700325  0.68793937  0.93852003
   0.64444553  0.03745689  0.11561820
   0.85391779  0.19686250  0.23106219
   0.65741129  0.28174749  0.03522642
   0.86914679  0.45766748  0.35423369
   0.03233664  0.38664267  0.18295979
   0.78937181  0.44393282  0.15628402
   0.67037908  0.15377598  0.37641960
   0.46173640  0.13055350  0.46666496
   0.69935057  0.07558105  0.55430890
   0.82267662  0.23850775  0.84753603
   0.61333389  0.33363859  0.51801723
   0.86045077  0.50071156  0.83547174
   0.98037859  0.46565562  0.63930773
   0.70629054  0.36151811  0.70210729
   0.80791359  0.06641440  0.98381393
   0.53543004  0.09869833  0.93644582
   0.56331598  0.53539509  0.04837585
   0.87768309  0.69463918  0.27944950
   0.54883801  0.80782706  0.04531979
   0.86106960  0.96397345  0.30333272
   0.92367415  0.84718298  0.13270527
   0.67583044  0.81836771  0.21286131
   0.84809679  0.68890467  0.45561507
   0.59949194  0.60970134  0.39064573
   0.69307086  0.58249181  0.57543886
   0.82127799  0.75184854  0.79750532
   0.61703809  0.83697103  0.49043992
   0.95292743  1.00067122  0.83203972
   1.00530905  0.86250032  0.68273714
   0.73832578  0.96675196  0.71472521
   0.74763077  0.66226688  0.96418768
   0.51385712  0.68782457  0.88410540
   0.78883075  0.81073312  0.60012677
   0.18705377  0.76666660  0.36372637
   0.88682839  0.29978119  0.05338618
   0.89746851  0.37005464  0.38684202
   0.31340167  0.11694535  0.63620039
   0.26937641  0.78341126  0.75113059
   0.16723468  1.09692225  0.13983713
   0.27062760  1.14428494  0.04452731
   0.63372796  0.40185982  0.87420288
   0.74122136  0.62563159  0.61037845
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850367    0.203743   -0.107888
    -0.000000    9.912544    0.111468
    -0.000000    0.000000   13.910113
   Si   O    H 
    32    64    10
Direct configuration=  2936
   0.19227171  0.22471138 -0.02573696
   0.34586451  0.10103830  0.38496351
   0.16218703  0.44940245  0.12258844
   0.40789537  0.35329515  0.25434860
   0.05949508  0.12137114  0.48019847
   0.42658526  0.13136377  0.84336734
   0.10400830  0.37719138  0.61243553
   0.37135023  0.37549327  0.73659834
   0.13830152  0.70360933  0.00417071
   0.44016319  0.58172885  0.36337792
   0.07866701  0.91133427  0.14583116
   0.32447072  0.83114491  0.27300508
   0.18649315  0.59208634  0.47988311
   0.36089181  0.62294936  0.85639215
   0.09936868  0.85216894  0.59054687
   0.36682209  0.98407471  0.66686054
   0.65550106  0.12396429  1.01442557
   0.82731016  0.11980186  0.33053684
   0.63748169  0.41352916  0.10808899
   0.89362585  0.31600359  0.15524526
   0.61406746  0.17344282  0.48307392
   0.91214796  0.11911289  0.90245129
   0.60426548  0.42020689  0.61721369
   0.75268024  0.37858649  0.81847826
   0.58936346  0.67851182 -0.01177314
   0.92818207  0.60465350  0.37420935
   0.56587795  0.89901411  0.14201160
   0.83612141  0.83659255  0.23290988
   0.69215667  0.70045301  0.47034182
   0.86655144  0.64850632  0.88506498
   0.66797284  0.92556726  0.60349647
   0.87900060  0.89324639  0.75429818
   0.07183522  0.07801717  0.14855025
   0.36880389  0.18632543  0.28148339
   0.18313543  0.38343417  0.00848783
   0.40992324  0.42372472  0.35969128
   0.54497432  0.37055690  0.19668080
   0.29986676  0.43532958  0.18584892
   0.20247335  0.14695023  0.42888477
  -0.06215472  0.18377941  0.40756600
   0.02927972 -0.03276599  0.51837014
   0.47238781  0.24876918  0.76419315
   0.06789585  0.21845337  0.57665611
   0.39008360  0.46125618  0.84149773
   0.45405035  0.45786835  0.65430213
   0.22290369  0.36028235  0.70097012
   0.29325178  0.20272947 -0.11201717
   0.03892311  0.18457081  0.94887706
   0.13889778  0.60495605  0.09617888
   0.38165371  0.67629437  0.27856715
   0.14407712  0.85935114  0.04742949
   0.34602428  0.94766584  0.34955546
   0.41533285  0.90750098  0.19272989
   0.16312532  0.83472242  0.23912154
   0.33178498  0.63900112  0.44360847
   0.09061154  0.59367301  0.38110392
   0.19017217  0.44770767  0.51929765
   0.29180201  0.68760826  0.75681365
   0.11537874  0.70452764  0.55110614
   0.37278366  0.99734903  0.78364005
   0.50903446  0.91109734  0.64920927
   0.25164952  0.88513902  0.62088069
   0.27734626  0.65858942 -0.04802445
   0.00732841  0.68788573  0.93662889
   0.64330468  0.03666581  0.11547159
   0.85468203  0.19657191  0.23173383
   0.65961971  0.28086715  0.03493326
   0.86935736  0.45831098  0.35397669
   0.03245864  0.38706321  0.18196857
   0.78991884  0.44447167  0.15593805
   0.66855393  0.15228845  0.37774426
   0.46194211  0.12979761  0.46586615
   0.69937639  0.07635121  0.55577679
   0.82268673  0.23859737  0.84857581
   0.61598354  0.33441476  0.51788205
   0.85988628  0.49786207  0.83527264
   0.98029799  0.46673322  0.63816489
   0.70885120  0.36151432  0.70208419
   0.80702979  0.06303445  0.98332788
   0.53648254  0.09942001  0.93747253
   0.56271945  0.53438480  0.04723045
   0.87680980  0.69404530  0.27876837
   0.54991322  0.80774036  0.04524944
   0.85987993  0.96512487  0.30389855
   0.92362817  0.84687963  0.13298250
   0.67570758  0.81743651  0.21353039
   0.84622703  0.68909421  0.45546159
   0.59962752  0.60951901  0.39093415
   0.69288520  0.58081759  0.57447240
   0.82224922  0.75141174  0.79791307
   0.61844934  0.83701061  0.49066515
   0.95363452  1.00051110  0.83202667
   1.00505911  0.86004807  0.68293554
   0.73805505  0.96700873  0.71415471
   0.74891372  0.66149047  0.96541292
   0.51436634  0.68749349  0.88462402
   0.79046118  0.81084352  0.59613753
   0.18548587  0.76570388  0.36607007
   0.89263856  0.30211824  0.04933750
   0.90275107  0.37051706  0.38612904
   0.31098783  0.11211674  0.63306731
   0.27183373  0.78976119  0.75110969
   0.16868413  1.09984517  0.14387446
   0.26449340  1.14987665  0.05123387
   0.63788872  0.40345818  0.87450924
   0.75754577  0.64109366  0.62960524
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848443    0.204021   -0.106762
    -0.000000    9.911325    0.107375
    -0.000000    0.000000   13.912652
   Si   O    H 
    32    64    10
Direct configuration=  2937
   0.19292398  0.22416075 -0.02493451
   0.34570657  0.10233135  0.38432569
   0.16243203  0.45066990  0.12223028
   0.40699066  0.35279715  0.25476181
   0.06010246  0.12269226  0.48080276
   0.42654583  0.13133512  0.84241086
   0.10443344  0.37553536  0.61260111
   0.37220656  0.37579237  0.73719353
   0.13828363  0.70239391  0.00356925
   0.44192565  0.58297339  0.36339236
   0.07878651  0.91221039  0.14566111
   0.32527124  0.83018251  0.27275536
   0.18701387  0.59280564  0.47963820
   0.36054320  0.62342571  0.85599562
   0.10017102  0.85343094  0.59100193
   0.36711411  0.98473299  0.66692564
   0.65644777  0.12405546  1.01510074
   0.82650887  0.12020452  0.33120389
   0.63708242  0.41313676  0.10843274
   0.89338548  0.31681267  0.15528208
   0.61452647  0.17521455  0.48318249
   0.91008989  0.11791740  0.90220794
   0.60483785  0.41993144  0.61620614
   0.75365548  0.37864387  0.81783150
   0.59106246  0.67848288 -0.01142555
   0.92923611  0.60477187  0.37402054
   0.56768821  0.89978586  0.14214192
   0.83558736  0.83618793  0.23274109
   0.69183855  0.70008978  0.47048568
   0.86713092  0.64720951  0.88489362
   0.66673977  0.92493777  0.60297556
   0.87921932  0.89288916  0.75284817
   0.07243755  0.07708348  0.14781988
   0.36743290  0.18784101  0.28030397
   0.18509062  0.38341437  0.00859513
   0.40945905  0.42258685  0.35932340
   0.54593697  0.36997825  0.19682709
   0.29842341  0.43482488  0.18637066
   0.20213831  0.14587703  0.42935196
  -0.06058461  0.18490864  0.40778980
   0.02939580 -0.03392187  0.51829191
   0.47434149  0.24883452  0.76267128
   0.06972878  0.21550540  0.57829373
   0.38891913  0.46114683  0.84238472
   0.45337767  0.45751040  0.65393379
   0.22411472  0.36132547  0.70176832
   0.29099092  0.20294803 -0.11107768
   0.03845466  0.18377324  0.94932134
   0.13917898  0.60646985  0.09554198
   0.38181049  0.67522249  0.27869212
   0.14338621  0.85972129  0.04692454
   0.34571838  0.94594832  0.35000519
   0.41504671  0.90679645  0.19305412
   0.16231028  0.83596344  0.23775340
   0.33268812  0.63885019  0.44375447
   0.09153791  0.59262332  0.38128000
   0.18976068  0.44872137  0.51902257
   0.29079614  0.68964713  0.75662216
   0.11545522  0.70484167  0.55019716
   0.37168887  0.99804862  0.78461618
   0.50854791  0.91157934  0.64842644
   0.25219480  0.88691406  0.62057213
   0.27919958  0.66089592 -0.04864803
   0.00811476  0.68773866  0.93517104
   0.64200471  0.03518912  0.11517625
   0.85511605  0.19640263  0.23162740
   0.66132661  0.28107158  0.03482401
   0.86977552  0.45856686  0.35406239
   0.03281382  0.38800720  0.18163179
   0.78981017  0.44526521  0.15547500
   0.66779313  0.15200870  0.37800275
   0.46224083  0.12877885  0.46542968
   0.69914915  0.07704650  0.55698172
   0.82285895  0.23792163  0.84948775
   0.61809866  0.33532586  0.51784171
   0.85937366  0.49463237  0.83525007
   0.98046378  0.46835525  0.63703134
   0.71088998  0.36167695  0.70251075
   0.80557690  0.06070439  0.98300532
   0.53727611  0.10023506  0.93809868
   0.56221155  0.53343290  0.04613871
   0.87615674  0.69310514  0.27843766
   0.55057541  0.80805175  0.04487945
   0.85845996  0.96647144  0.30551509
   0.92379363  0.84709769  0.13365200
   0.67563302  0.81719710  0.21369449
   0.84494846  0.68935277  0.45525501
   0.60046873  0.60995421  0.39183830
   0.69325099  0.57962174  0.57459876
   0.82383629  0.75122490  0.79856452
   0.61941085  0.83752146  0.49076072
   0.95422289  1.00015460  0.83190931
   1.00441826  0.85811215  0.68312145
   0.73762935  0.96733974  0.71395654
   0.74988040  0.66168286  0.96686666
   0.51487562  0.68683203  0.88505983
   0.78970751  0.81106773  0.59287686
   0.18517818  0.76912024  0.36591360
   0.89982077  0.30032216  0.04693237
   0.90555098  0.37623166  0.38469712
   0.31210435  0.10991604  0.62957246
   0.27842069  0.78246616  0.75357546
   0.16795761  1.10412976  0.14726994
   0.26108687  1.15546653  0.05771647
   0.63846220  0.40485526  0.87725550
   0.76348472  0.64659501  0.64056159
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846288    0.204014   -0.105695
    -0.000000    9.910032    0.103948
    -0.000000    0.000000   13.915319
   Si   O    H 
    32    64    10
Direct configuration=  2938
   0.19322506  0.22324938 -0.02405538
   0.34535884  0.10381782  0.38371793
   0.16241358  0.45171924  0.12183352
   0.40600703  0.35184777  0.25474328
   0.06021811  0.12401761  0.48169458
   0.42591578  0.13154610  0.84164788
   0.10465490  0.37368290  0.61293396
   0.37280674  0.37673885  0.73749709
   0.13821272  0.70196063  0.00325746
   0.44459998  0.58427052  0.36377706
   0.07916605  0.91310423  0.14553275
   0.32560566  0.82885177  0.27228966
   0.18728494  0.59373571  0.47936699
   0.36047340  0.62319709  0.85550104
   0.10024574  0.85473579  0.59116613
   0.36715745  0.98508939  0.66656226
   0.65778824  0.12469025  1.01577251
   0.82573242  0.12126932  0.33170442
   0.63671228  0.41290361  0.10889661
   0.89318804  0.31686132  0.15516134
   0.61525585  0.17669783  0.48371226
   0.90771156  0.11727261  0.90212114
   0.60589931  0.41921768  0.61493090
   0.75472948  0.37823400  0.81744481
   0.59296866  0.67847649 -0.01150594
   0.92959137  0.60482777  0.37367209
   0.56959156  0.90046435  0.14259726
   0.83536769  0.83595651  0.23263375
   0.69112739  0.69972594  0.47052137
   0.86792227  0.64535197  0.88484351
   0.66499788  0.92425405  0.60282864
   0.87915999  0.89312858  0.75149082
   0.07341151  0.07659632  0.14680446
   0.36605660  0.19029876  0.27946322
   0.18701536  0.38369011  0.00927895
   0.40947617  0.42116972  0.35853776
   0.54655377  0.36898542  0.19690581
   0.29674739  0.43379382  0.18615163
   0.20168987  0.14495068  0.43006511
  -0.05955669  0.18578818  0.40828802
   0.02953225 -0.03488394  0.51816727
   0.47628547  0.24892278  0.76124820
   0.07178580  0.21269759  0.57954637
   0.38779183  0.46154471  0.84272724
   0.45267376  0.45618974  0.65336925
   0.22477420  0.36213394  0.70192663
   0.28897984  0.20308585 -0.11087395
   0.03886849  0.18282977  0.94944270
   0.13938379  0.60789324  0.09535293
   0.38148236  0.67467082  0.27867979
   0.14262684  0.85992313  0.04640196
   0.34460976  0.94418091  0.35068981
   0.41547658  0.90493322  0.19299421
   0.16125807  0.83757537  0.23628970
   0.33399383  0.63856451  0.44380194
   0.09328275  0.59173767  0.38116164
   0.18954085  0.44880171  0.51893341
   0.28986900  0.68943739  0.75671668
   0.11506712  0.70406373  0.54898076
   0.37080127  0.99832235  0.78535355
   0.50867629  0.91212883  0.64742771
   0.25337264  0.88825322  0.61995533
   0.28046121  0.66257442 -0.04890648
   0.00856436  0.68724091  0.93353208
   0.64071252  0.03352464  0.11471942
   0.85597433  0.19600345  0.23153725
   0.66278365  0.28214050  0.03524295
   0.86995323  0.45886358  0.35442859
   0.03398862  0.38958937  0.18204236
   0.78822898  0.44609207  0.15490202
   0.66759167  0.15167567  0.37750361
   0.46178583  0.12831630  0.46603354
   0.69951825  0.07798691  0.55793818
   0.82278837  0.23774023  0.85032421
   0.62042496  0.33605412  0.51811319
   0.85872162  0.49263258  0.83611000
   0.98019515  0.46943800  0.63588579
   0.71227039  0.36265191  0.70254170
   0.80445035  0.05877715  0.98295547
   0.53712849  0.10134367  0.93840218
   0.56100155  0.53180982  0.04501784
   0.87668366  0.69194253  0.27891666
   0.55088711  0.80902303  0.04453501
   0.85763015  0.96685154  0.30687357
   0.92379863  0.84803991  0.13439830
   0.67577870  0.81707302  0.21408239
   0.84513031  0.68969683  0.45523258
   0.60135226  0.61005422  0.39319799
   0.69403603  0.57896808  0.57543468
   0.82576747  0.75129071  0.79935892
   0.62001770  0.83794789  0.49102728
   0.95474121  0.99871677  0.83104879
   1.00362974  0.85674422  0.68253479
   0.73694548  0.96785942  0.71421779
   0.75126756  0.66193378  0.96766683
   0.51479373  0.68524018  0.88547814
   0.78896810  0.81315951  0.59007551
   0.18955711  0.77856471  0.36450899
   0.90528542  0.29698195  0.04849850
   0.90779676  0.38410029  0.38371143
   0.31509330  0.10989858  0.62720503
   0.28364758  0.79016785  0.75455253
   0.16527375  1.11176057  0.15377405
   0.25915456  1.15588096  0.06333340
   0.63836503  0.40418403  0.88116200
   0.76307329  0.64380219  0.64283500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844014    0.204049   -0.105589
    -0.000000    9.908893    0.100716
    -0.000000    0.000000   13.918143
   Si   O    H 
    32    64    10
Direct configuration=  2939
   0.19358026  0.22237589 -0.02285809
   0.34469440  0.10589290  0.38323516
   0.16251398  0.45195553  0.12135372
   0.40521045  0.35021697  0.25430492
   0.05986591  0.12437197  0.48279033
   0.42525683  0.13224432  0.84098348
   0.10485918  0.37236300  0.61304359
   0.37389266  0.37732253  0.73764265
   0.13832458  0.70178923  0.00301422
   0.44694307  0.58540718  0.36448713
   0.07919025  0.91354055  0.14547189
   0.32584905  0.82773450  0.27182672
   0.18825254  0.59494333  0.47930299
   0.36051564  0.62328993  0.85483624
   0.09991150  0.85579913  0.59113937
   0.36705955  0.98459430  0.66667707
   0.65874647  0.12455569  1.01636102
   0.82493700  0.12309848  0.33199817
   0.63649610  0.41259860  0.10889022
   0.89252457  0.31696309  0.15513677
   0.61603415  0.17835093  0.48439936
   0.90541919  0.11707812  0.90210111
   0.60724519  0.41933409  0.61385176
   0.75589921  0.37818622  0.81683475
   0.59470387  0.67840889 -0.01198382
   0.92960134  0.60458674  0.37311533
   0.57055540  0.90040637  0.14306822
   0.83450474  0.83588307  0.23293659
   0.68999115  0.69946729  0.47084791
   0.86819533  0.64378409  0.88510757
   0.66321603  0.92336853  0.60304778
   0.87944461  0.89406772  0.75023942
   0.07465334  0.07693034  0.14552668
   0.36422717  0.19289114  0.27886437
   0.18819964  0.38389744  0.00999083
   0.40936865  0.42044596  0.35759562
   0.54692287  0.36772969  0.19699804
   0.29512290  0.43249416  0.18601190
   0.20173074  0.14409378  0.43071699
  -0.05838316  0.18597533  0.40853733
   0.02924032 -0.03553465  0.51785689
   0.47848058  0.24856588  0.75975730
   0.07357379  0.20981082  0.58124922
   0.38610915  0.46255023  0.84283242
   0.45270570  0.45527054  0.65343601
   0.22538063  0.36180556  0.70152086
   0.28730380  0.20445396 -0.11163262
   0.03920453  0.18242144  0.94950986
   0.14028826  0.60850708  0.09585489
   0.38174950  0.67403358  0.27808613
   0.14110915  0.85908421  0.04540195
   0.34342230  0.94351844  0.35129921
   0.41668877  0.90376805  0.19306769
   0.15988170  0.83915173  0.23433763
   0.33526811  0.63861677  0.44420593
   0.09458929  0.59169741  0.38109221
   0.19043251  0.44729586  0.51924942
   0.28909838  0.68936970  0.75703640
   0.11570284  0.70361640  0.54830138
   0.37094278  0.99933411  0.78573462
   0.50910565  0.91269060  0.64662689
   0.25527675  0.89030045  0.61995124
   0.28186508  0.66372530 -0.04913905
   0.00948979  0.68682548  0.93202114
   0.63971907  0.03328554  0.11430779
   0.85650230  0.19648747  0.23097157
   0.66395345  0.28327477  0.03541098
   0.86996989  0.45874272  0.35431714
   0.03634184  0.39138880  0.18275562
   0.78573598  0.44779461  0.15444301
   0.66784906  0.15029318  0.37706098
   0.46014326  0.12824996  0.46681651
   0.69833771  0.07925990  0.55882199
   0.82322793  0.23748840  0.85080822
   0.62377095  0.33640152  0.51814927
   0.85876071  0.49100866  0.83724442
   0.97984734  0.46999943  0.63500571
   0.71353872  0.36353618  0.70268222
   0.80330142  0.05736588  0.98278403
   0.53661813  0.10231190  0.93868221
   0.56025338  0.53086225  0.04403324
   0.87736822  0.69127173  0.27914714
   0.55133357  0.80955924  0.04435869
   0.85697323  0.96607868  0.30855833
   0.92399235  0.84859563  0.13558295
   0.67524514  0.81780137  0.21407622
   0.84670324  0.69048644  0.45492190
   0.60244451  0.61050415  0.39400494
   0.69423779  0.57935830  0.57660459
   0.82748805  0.75173717  0.79985192
   0.61937934  0.83885986  0.49101696
   0.95589741  0.99687435  0.83019075
   1.00271246  0.85540240  0.68153407
   0.73683634  0.96885238  0.71463195
   0.75229538  0.66251028  0.96860230
   0.51403433  0.68431842  0.88575091
   0.78550554  0.81890907  0.59109046
   0.19485897  0.79007363  0.36175112
   0.91228627  0.29279115  0.05159892
   0.91667894  0.38141651  0.38851181
   0.31964109  0.11780273  0.62457356
   0.28658738  0.79054070  0.75525684
   0.16086061  1.11835350  0.16174879
   0.25732603  1.15552819  0.06639895
   0.63391661  0.40543490  0.88290742
   0.75528804  0.63399267  0.63775562
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842099    0.204026   -0.105506
    -0.000000    9.907769    0.097910
    -0.000000    0.000000   13.921101
   Si   O    H 
    32    64    10
Direct configuration=  2940
   0.19387090  0.22207759 -0.02163728
   0.34390658  0.10776333  0.38283613
   0.16224715  0.45199899  0.12084186
   0.40395443  0.34937081  0.25415401
   0.05937724  0.12450242  0.48412176
   0.42449035  0.13275022  0.84065013
   0.10511397  0.37113295  0.61316602
   0.37485650  0.37768747  0.73749165
   0.13892637  0.70187863  0.00273553
   0.44873647  0.58679593  0.36522406
   0.07883786  0.91382656  0.14507452
   0.32573633  0.82678107  0.27148281
   0.18924154  0.59536747  0.47907120
   0.36154581  0.62342406  0.85471321
   0.09956840  0.85675013  0.59089509
   0.36684141  0.98458122  0.66675419
   0.65916333  0.12447950  1.01672238
   0.82422000  0.12491240  0.33233320
   0.63614068  0.41258573  0.10902203
   0.89214245  0.31698742  0.15489748
   0.61677006  0.17959643  0.48479610
   0.90328150  0.11651643  0.90125716
   0.60898121  0.41938048  0.61291760
   0.75666667  0.37793465  0.81624017
   0.59585175  0.67831896 -0.01300627
   0.92944121  0.60478649  0.37261212
   0.57098301  0.90025374  0.14337087
   0.83300397  0.83583566  0.23358720
   0.68868774  0.69865132  0.47132325
   0.86774828  0.64277151  0.88576774
   0.66182429  0.92237350  0.60360436
   0.87955369  0.89451667  0.74947325
   0.07625979  0.07717967  0.14455543
   0.36259107  0.19520055  0.27863621
   0.18957751  0.38351997  0.01094532
   0.40936611  0.41985958  0.35690603
   0.54710747  0.36600119  0.19689592
   0.29403169  0.43088671  0.18592969
   0.20130281  0.14376706  0.43125711
  -0.05701958  0.18558382  0.40917715
   0.02872801 -0.03588862  0.51682579
   0.47959145  0.24883698  0.75815099
   0.07573660  0.20789672  0.58252097
   0.38426266  0.46350432  0.84232533
   0.45369860  0.45503093  0.65295670
   0.22496568  0.36090930  0.70132177
   0.28578371  0.20589647 -0.11288441
   0.03945573  0.18124000  0.94986930
   0.14075310  0.60933402  0.09677497
   0.38224088  0.67398992  0.27800215
   0.13922673  0.85773908  0.04465740
   0.34242918  0.94284219  0.35200385
   0.41839738  0.90302134  0.19307277
   0.15916326  0.84145272  0.23253066
   0.33642763  0.63918443  0.44455713
   0.09513879  0.59140441  0.38060861
   0.19105154  0.44537198  0.51934092
   0.28863334  0.68925855  0.75702120
   0.11662261  0.70358667  0.54696650
   0.37061178  1.00035610  0.78605802
   0.51017222  0.91348344  0.64538856
   0.25724337  0.89247021  0.61997351
   0.28293318  0.66468932 -0.04942450
   0.01011139  0.68600463  0.93007701
   0.63873083  0.03326507  0.11386430
   0.85690206  0.19715756  0.23049399
   0.66444157  0.28481577  0.03530067
   0.87011762  0.45836442  0.35404857
   0.03886020  0.39284442  0.18319865
   0.78429392  0.44998794  0.15365581
   0.66907385  0.14823457  0.37718030
   0.45869232  0.12731558  0.46718005
   0.69768918  0.08109895  0.56002029
   0.82364804  0.23713571  0.85068890
   0.62605774  0.33635648  0.51705966
   0.85873205  0.48992582  0.83892640
   0.97954155  0.47040746  0.63465009
   0.71395314  0.36481893  0.70205565
   0.80230437  0.05610386  0.98303509
   0.53518461  0.10245441  0.93858708
   0.56114816  0.52984555  0.04308693
   0.87831350  0.69078463  0.27966983
   0.55193468  0.81009576  0.04439803
   0.85646975  0.96523239  0.31050040
   0.92521578  0.84847470  0.13704962
   0.67455883  0.81860259  0.21405063
   0.84856691  0.69070487  0.45470705
   0.60306255  0.61142113  0.39436128
   0.69491386  0.58034732  0.57822054
   0.82918496  0.75223807  0.80074251
   0.61854436  0.84091714  0.49142198
   0.95731098  0.99506150  0.82896610
   1.00255928  0.85389383  0.68082005
   0.73660619  0.97006855  0.71489021
   0.75296097  0.66329460  0.96905639
   0.51358930  0.68307967  0.88586786
   0.78216375  0.82389687  0.59343932
   0.20298244  0.79838059  0.35928103
   0.91849992  0.28682790  0.05640756
   0.92393986  0.38417692  0.39032721
   0.32553627  0.12637989  0.62246594
   0.28565626  0.78232178  0.75583530
   0.15757340  1.12277630  0.16949686
   0.25704428  1.15295463  0.06623738
   0.63245697  0.40381265  0.88279198
   0.73852094  0.61584180  0.62565741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840117    0.203621   -0.105551
    -0.000000    9.906739    0.095144
    -0.000000    0.000000   13.923991
   Si   O    H 
    32    64    10
Direct configuration=  2941
   0.19410369  0.22181042 -0.01982565
   0.34362423  0.10911642  0.38220152
   0.16190462  0.45211164  0.11980488
   0.40218826  0.34867128  0.25380098
   0.05925928  0.12452374  0.48506408
   0.42382935  0.13327215  0.84127231
   0.10517977  0.37052711  0.61322541
   0.37628221  0.37805207  0.73755654
   0.14009477  0.70303122  0.00269093
   0.44977286  0.58811175  0.36615595
   0.07857209  0.91362110  0.14438158
   0.32495340  0.82672087  0.27084646
   0.18903471  0.59626496  0.47855210
   0.36266850  0.62372724  0.85460936
   0.09932456  0.85796928  0.59039222
   0.36706989  0.98536473  0.66672041
   0.65972039  0.12390590  1.01655952
   0.82312944  0.12677708  0.33297644
   0.63544536  0.41320551  0.10897409
   0.89136643  0.31743576  0.15467033
   0.61720645  0.18002147  0.48532525
   0.90161028  0.11563234  0.90089008
   0.61074928  0.41889851  0.61214561
   0.75731394  0.37770673  0.81546571
   0.59614157  0.67823336 -0.01394922
   0.92968666  0.60549230  0.37213192
   0.57090620  0.89954358  0.14345052
   0.83194773  0.83522290  0.23477128
   0.68712919  0.69785251  0.47170946
   0.86710138  0.64148065  0.88615261
   0.66091728  0.92225414  0.60389769
   0.87960182  0.89524959  0.74898376
   0.07772347  0.07702915  0.14416623
   0.36191077  0.19698373  0.27807855
   0.19051122  0.38401277  0.01159848
   0.41029649  0.41996789  0.35611224
   0.54728237  0.36437335  0.19708214
   0.29353475  0.43008715  0.18602293
   0.20050946  0.14371068  0.43115598
  -0.05553499  0.18544091  0.40929521
   0.02858001 -0.03532470  0.51589010
   0.48106884  0.24923914  0.75670122
   0.07736032  0.20746107  0.58379880
   0.38271234  0.46417423  0.84139164
   0.45491914  0.45518530  0.65131609
   0.22456938  0.36048524  0.70081652
   0.28484121  0.20749940 -0.11464477
   0.04052503  0.18040382  0.94982614
   0.14133577  0.61006572  0.09814618
   0.38299752  0.67356129  0.27784296
   0.13781411  0.85655303  0.04349394
   0.34184528  0.94290657  0.35279294
   0.41956018  0.90238224  0.19259319
   0.15919084  0.84275663  0.23110639
   0.33784105  0.63903323  0.44451110
   0.09497300  0.59170850  0.38024175
   0.19167380  0.44275182  0.51985697
   0.28803144  0.68824421  0.75717528
   0.11709975  0.70497596  0.54544583
   0.37042117  1.00086044  0.78647580
   0.51114157  0.91396158  0.64414522
   0.25847609  0.89425543  0.61964400
   0.28304267  0.66586233 -0.04989637
   0.01180356  0.68556209  0.92825160
   0.63900391  0.03336292  0.11352872
   0.85753667  0.19796331  0.23056580
   0.66437355  0.28597893  0.03522776
   0.87019874  0.45724084  0.35424958
   0.04130868  0.39346491  0.18337219
   0.78316126  0.45174235  0.15305810
   0.67061735  0.14595772  0.37667270
   0.45748289  0.12736423  0.46753150
   0.69772526  0.08321819  0.56071708
   0.82394224  0.23790126  0.85051263
   0.62764051  0.33626117  0.51567031
   0.85950796  0.49062517  0.84092473
   0.97917800  0.47140749  0.63408774
   0.71379515  0.36694934  0.70103580
   0.80123299  0.05508482  0.98367665
   0.53361300  0.10281637  0.93742912
   0.56207664  0.52916444  0.04177867
   0.87846335  0.68991052  0.27992739
   0.55222146  0.81093482  0.04518392
   0.85607711  0.96364334  0.31183156
   0.92570012  0.84872158  0.13838510
   0.67310080  0.81931632  0.21423534
   0.85048934  0.69053016  0.45421521
   0.60381687  0.61211051  0.39455965
   0.69430276  0.58090254  0.57873265
   0.83041238  0.75235005  0.80116934
   0.61732789  0.84401286  0.49175823
   0.95819567  0.99431291  0.82818214
   1.00343393  0.85244650  0.68026085
   0.73658741  0.97218157  0.71549853
   0.75408712  0.66254756  0.97010855
   0.51278976  0.68166669  0.88591428
   0.77712398  0.82330731  0.59658235
   0.20654620  0.80598838  0.35724195
   0.92551444  0.28256706  0.06182443
   0.93100569  0.38893089  0.38905959
   0.33601097  0.12846515  0.62218648
   0.28213916  0.78969722  0.75787074
   0.15541420  1.12248992  0.17194947
   0.25692401  1.15270024  0.06227892
   0.63540827  0.40078097  0.88016251
   0.74074848  0.61627133  0.62909846
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837897    0.203498   -0.106218
    -0.000000    9.905124    0.092012
    -0.000000    0.000000   13.926626
   Si   O    H 
    32    64    10
Direct configuration=  2942
   0.19417197  0.22158181 -0.01835616
   0.34350582  0.11041454  0.38202199
   0.16122905  0.45236099  0.11883726
   0.40135107  0.34785501  0.25340668
   0.05891220  0.12434636  0.48575557
   0.42341011  0.13397959  0.84176889
   0.10541050  0.36963723  0.61368207
   0.37864194  0.37814595  0.73806383
   0.14142311  0.70367451  0.00297152
   0.45064354  0.58911497  0.36654993
   0.07816196  0.91326535  0.14401877
   0.32382181  0.82630457  0.27011382
   0.18862037  0.59681733  0.47831625
   0.36340123  0.62417688  0.85485046
   0.09866652  0.85848114  0.59016315
   0.36769572  0.98660849  0.66660319
   0.66041019  0.12327334  1.01581206
   0.82187155  0.12827372  0.33334905
   0.63517176  0.41409859  0.10924816
   0.89086097  0.31807421  0.15485065
   0.61809311  0.18007377  0.48630875
   0.90069110  0.11506140  0.90091139
   0.61232716  0.41887978  0.61117706
   0.75760503  0.37711133  0.81503342
   0.59648563  0.67821625 -0.01472481
   0.93003588  0.60593340  0.37116634
   0.57030071  0.89893910  0.14334658
   0.83174461  0.83484205  0.23579770
   0.68627743  0.69709648  0.47194879
   0.86677860  0.64022100  0.88655688
   0.66076675  0.92177054  0.60367529
   0.87972868  0.89566978  0.74872033
   0.07920436  0.07674991  0.14369113
   0.36203097  0.19823798  0.27729801
   0.19147665  0.38433675  0.01224121
   0.41125480  0.42094571  0.35550739
   0.54686518  0.36245672  0.19709865
   0.29382530  0.42951257  0.18594231
   0.20001523  0.14342404  0.43099253
  -0.05549436  0.18553089  0.40922521
   0.02892021 -0.03446313  0.51465170
   0.48208129  0.24882265  0.75570183
   0.07877615  0.20714881  0.58506426
   0.38127413  0.46426887  0.84053856
   0.45629384  0.45642115  0.64930053
   0.22392451  0.36044664  0.70027520
   0.28341150  0.20936872 -0.11638490
   0.04123964  0.17889350  0.94933607
   0.14205260  0.61131213  0.09953523
   0.38388311  0.67345523  0.27667609
   0.13678692  0.85415557  0.04231675
   0.34168108  0.94339984  0.35341380
   0.42037315  0.90258628  0.19196672
   0.15970875  0.84377342  0.22995871
   0.34021663  0.63937247  0.44483964
   0.09518300  0.59213616  0.38046460
   0.19220014  0.44042343  0.52002690
   0.28804866  0.68747036  0.75724047
   0.11680952  0.70774021  0.54422806
   0.37062973  1.00105531  0.78691333
   0.51169270  0.91421868  0.64331339
   0.25948345  0.89589993  0.61927272
   0.28243820  0.66659492 -0.04952155
   0.01369022  0.68509045  0.92632328
   0.63965145  0.03419771  0.11370945
   0.85826384  0.19921027  0.23121458
   0.66442659  0.28669574  0.03520778
   0.87044616  0.45627427  0.35483133
   0.04252955  0.39338811  0.18293572
   0.78250252  0.45324029  0.15227725
   0.67317659  0.14387799  0.37591266
   0.45564509  0.12721444  0.46817374
   0.69753841  0.08480135  0.56105459
   0.82470288  0.23850209  0.84999040
   0.62997019  0.33629343  0.51467515
   0.86024643  0.49145882  0.84340304
   0.97946845  0.47190183  0.63329752
   0.71404076  0.36933413  0.69988916
   0.79976645  0.05458831  0.98392540
   0.53166522  0.10358141  0.93591830
   0.56279195  0.52877966  0.04018864
   0.87817337  0.68896150  0.27999075
   0.55287033  0.81185516  0.04641579
   0.85542938  0.96191224  0.31265377
   0.92603180  0.84892220  0.13940652
   0.67130104  0.82025347  0.21494823
   0.85237782  0.69044255  0.45354722
   0.60424245  0.61195911  0.39478366
   0.69332601  0.58126660  0.57823976
   0.83144075  0.75207395  0.80139609
   0.61624143  0.84614291  0.49171626
   0.95860090  0.99318811  0.82765015
   1.00436929  0.85041912  0.68016699
   0.73653276  0.97370270  0.71639040
   0.75470521  0.66161905  0.97101388
   0.51229398  0.68041798  0.88594537
   0.77372474  0.82118659  0.60346152
   0.20750495  0.81005676  0.35959466
   0.92844022  0.27159672  0.06233619
   0.93050954  0.39487443  0.38466146
   0.34727077  0.12622862  0.62427359
   0.27648762  0.78596416  0.75972977
   0.15305255  1.12367353  0.17322575
   0.26191886  1.15108634  0.05886963
   0.64103975  0.39717788  0.87558086
   0.75063820  0.62718420  0.63988095
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835997    0.203318   -0.107064
    -0.000000    9.903209    0.088873
    -0.000000    0.000000   13.929255
   Si   O    H 
    32    64    10
Direct configuration=  2943
   0.19380561  0.22145693 -0.01728999
   0.34431149  0.11091599  0.38157150
   0.16011484  0.45234761  0.11800241
   0.40037124  0.34758459  0.25267605
   0.05870495  0.12456340  0.48643844
   0.42336372  0.13497179  0.84220863
   0.10585060  0.36959473  0.61377844
   0.38128883  0.37862210  0.73824679
   0.14301127  0.70426635  0.00293988
   0.45077991  0.58943186  0.36666410
   0.07728406  0.91317183  0.14337468
   0.32301520  0.82638941  0.26976904
   0.18829704  0.59690600  0.47803441
   0.36469918  0.62524721  0.85504204
   0.09834456  0.85890645  0.58997823
   0.36812357  0.98807792  0.66640258
   0.65964629  0.12276815  1.01516562
   0.82133635  0.12946357  0.33355338
   0.63439565  0.41524653  0.10896151
   0.89046308  0.31884946  0.15532594
   0.61906531  0.18025785  0.48707052
   0.90007260  0.11439989  0.90102274
   0.61416338  0.41865519  0.61048699
   0.75778165  0.37637732  0.81469982
   0.59700831  0.67750521 -0.01551990
   0.93040072  0.60542968  0.37008293
   0.56969749  0.89830787  0.14329523
   0.83185601  0.83459776  0.23674959
   0.68558812  0.69642874  0.47247656
   0.86642954  0.63955589  0.88663553
   0.66051676  0.92142132  0.60351763
   0.87978945  0.89656012  0.74836831
   0.08174537  0.07610493  0.14310987
   0.36160923  0.19870977  0.27697309
   0.19232002  0.38477098  0.01261967
   0.41267269  0.42136377  0.35509171
   0.54622032  0.36075556  0.19699603
   0.29480047  0.42914075  0.18575371
   0.19975172  0.14314937  0.43071753
  -0.05630693  0.18545222  0.40903476
   0.02852400 -0.03315152  0.51291736
   0.48301133  0.24822357  0.75531881
   0.08005932  0.20612118  0.58641662
   0.38027581  0.46481427  0.83966780
   0.45769746  0.45743629  0.64718759
   0.22348022  0.36086788  0.70008224
   0.28183097  0.21170948 -0.11820071
   0.04190426  0.17732818  0.94908254
   0.14215544  0.61335538  0.10098572
   0.38481656  0.67385276  0.27538885
   0.13566315  0.85337135  0.04145945
   0.34120524  0.94420418  0.35458903
   0.42000987  0.90290590  0.19164446
   0.16011906  0.84445527  0.22900813
   0.34273003  0.63952689  0.44550739
   0.09560860  0.59355911  0.38039787
   0.19212041  0.43808987  0.52037114
   0.28905338  0.68708876  0.75759833
   0.11640276  0.71030060  0.54360136
   0.37163425  1.00110379  0.78692746
   0.51243354  0.91420626  0.64276023
   0.25897662  0.89754638  0.61854938
   0.28200124  0.66770802 -0.04883103
   0.01574316  0.68411878  0.92482320
   0.63976097  0.03563725  0.11364303
   0.85895484  0.20148908  0.23198146
   0.66440770  0.28723055  0.03550246
   0.87090950  0.45585432  0.35497402
   0.04263169  0.39244947  0.18263920
   0.78139037  0.45435846  0.15160984
   0.67534980  0.14308739  0.37528608
   0.45415127  0.12716174  0.46869964
   0.69712624  0.08553427  0.56167639
   0.82502869  0.23887839  0.84874567
   0.63138078  0.33573457  0.51359586
   0.86106202  0.49200538  0.84545430
   0.97990789  0.47145807  0.63236879
   0.71404095  0.37151016  0.69891675
   0.79927171  0.05443617  0.98439986
   0.52981423  0.10360631  0.93456334
   0.56409251  0.52883105  0.03892463
   0.87746555  0.68828560  0.27945407
   0.55387701  0.81195635  0.04713956
   0.85471124  0.96063488  0.31305954
   0.92629193  0.84922048  0.14053697
   0.66932681  0.82037309  0.21546120
   0.85343940  0.69058810  0.45275759
   0.60508289  0.61197953  0.39444128
   0.69252620  0.58148118  0.57841290
   0.83202111  0.75267107  0.80193475
   0.61513959  0.84836277  0.49170009
   0.95854935  0.99236445  0.82704018
   1.00505153  0.84954178  0.68025696
   0.73644484  0.97422627  0.71611883
   0.75588645  0.66106225  0.97169546
   0.51212153  0.68002935  0.88584032
   0.77443762  0.81622947  0.61143512
   0.20678689  0.81095720  0.36379685
   0.93045088  0.25957889  0.05739100
   0.93656191  0.38853904  0.38267191
   0.35495398  0.12139123  0.63060192
   0.27231842  0.77655290  0.76140534
   0.15310536  1.12339661  0.17619034
   0.26698401  1.14712180  0.05465228
   0.64119886  0.39491958  0.87070774
   0.75480334  0.63807982  0.64053466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834016    0.202837   -0.107735
    -0.000000    9.901191    0.085343
    -0.000000    0.000000   13.932196
   Si   O    H 
    32    64    10
Direct configuration=  2944
   0.19372514  0.22119681 -0.01630627
   0.34499982  0.11146793  0.38077575
   0.15876266  0.45229592  0.11727238
   0.39951133  0.34768717  0.25184700
   0.05828766  0.12455496  0.48671714
   0.42337835  0.13651423  0.84268489
   0.10667295  0.37019742  0.61376155
   0.38319819  0.37921572  0.73840722
   0.14445555  0.70440325  0.00246093
   0.45036682  0.58984001  0.36691074
   0.07603369  0.91301569  0.14316467
   0.32254251  0.82654063  0.26930224
   0.18788353  0.59664239  0.47810897
   0.36536835  0.62597566  0.85483438
   0.09813912  0.85934689  0.58966965
   0.36849475  0.98905374  0.66627442
   0.65900615  0.12252116  1.01439206
   0.82101295  0.12989992  0.33372737
   0.63371807  0.41641546  0.10848016
   0.88999383  0.32000470  0.15568115
   0.62022643  0.17972012  0.48776894
   0.89963108  0.11369696  0.90110362
   0.61576025  0.41876842  0.61009113
   0.75755359  0.37600855  0.81429173
   0.59695894  0.67606962 -0.01610379
   0.93056198  0.60475409  0.36895343
   0.56898140  0.89736809  0.14326735
   0.83256889  0.83452560  0.23773687
   0.68525272  0.69652303  0.47384935
   0.86669659  0.63919806  0.88662055
   0.66051740  0.92208542  0.60369044
   0.87988059  0.89741494  0.74843010
   0.08407407  0.07567421  0.14291803
   0.35997144  0.19935556  0.27686617
   0.19259275  0.38495450  0.01290068
   0.41451371  0.42182128  0.35475356
   0.54592981  0.35877798  0.19713528
   0.29567992  0.42887175  0.18585205
   0.19966175  0.14306988  0.43033785
  -0.05698342  0.18492725  0.40947869
   0.02832947 -0.03215970  0.51172102
   0.48341901  0.24740264  0.75546173
   0.08053583  0.20620900  0.58760778
   0.38008382  0.46547887  0.83851190
   0.46024740  0.45803782  0.64539686
   0.22286674  0.36152187  0.69994567
   0.28048577  0.21375006 -0.11921189
   0.04322105  0.17591329  0.94802173
   0.14186979  0.61499141  0.10252523
   0.38556774  0.67399575  0.27439009
   0.13448251  0.85349516  0.04064165
   0.34100676  0.94477833  0.35574930
   0.41945472  0.90285057  0.19128356
   0.16118558  0.84502423  0.22834834
   0.34469792  0.63984549  0.44669592
   0.09681156  0.59483561  0.37987959
   0.19187025  0.43595486  0.52086331
   0.29018621  0.68704837  0.75817815
   0.11619886  0.71239412  0.54299435
   0.37222036  1.00132537  0.78639764
   0.51265876  0.91417247  0.64242283
   0.25750370  0.89820099  0.61767575
   0.28127946  0.66846009 -0.04885399
   0.01665891  0.68312938  0.92371939
   0.64017662  0.03699689  0.11341339
   0.86003663  0.20331057  0.23241379
   0.66408934  0.28712453  0.03590693
   0.87162025  0.45506649  0.35504448
   0.04230629  0.39180396  0.18253301
   0.78133424  0.45580095  0.15088398
   0.67645329  0.14265445  0.37463070
   0.45363645  0.12765027  0.46889027
   0.69677993  0.08525105  0.56159533
   0.82459119  0.24060501  0.84813585
   0.63294694  0.33619156  0.51268945
   0.86174671  0.49216820  0.84683750
   0.97940985  0.46983313  0.63093151
   0.71404818  0.37377942  0.69809783
   0.80042206  0.05444790  0.98516307
   0.52768442  0.10435982  0.93326817
   0.56497999  0.52837681  0.03810758
   0.87657415  0.68776212  0.27868832
   0.55520835  0.81181398  0.04678798
   0.85356232  0.95989014  0.31344096
   0.92661250  0.84956553  0.14193803
   0.66795606  0.82030710  0.21613330
   0.85369735  0.69064610  0.45206602
   0.60544370  0.61171939  0.39415768
   0.69143459  0.58131374  0.57866325
   0.83258337  0.75248162  0.80247093
   0.61448118  0.84970093  0.49129793
   0.95812473  0.99220927  0.82697351
   1.00492423  0.84970430  0.68036959
   0.73766953  0.97484150  0.71557161
   0.75638867  0.66087130  0.97168385
   0.51300009  0.67947885  0.88611450
   0.77319793  0.80517544  0.61905176
   0.20711309  0.80753108  0.37145166
   0.93121838  0.25064375  0.05660090
   0.93884681  0.37865372  0.37929414
   0.36108321  0.11994907  0.63425187
   0.26556105  0.78436384  0.76395263
   0.15706113  1.12287426  0.17874233
   0.27328555  1.14106588  0.05189064
   0.63589478  0.39454540  0.86561092
   0.75541757  0.63916126  0.63263191
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831400    0.202553   -0.108574
    -0.000000    9.899038    0.081220
    -0.000000    0.000000   13.934986
   Si   O    H 
    32    64    10
Direct configuration=  2945
   0.19322652  0.22081085 -0.01549609
   0.34587852  0.11211507  0.38047605
   0.15788760  0.45200294  0.11648877
   0.39865460  0.34815075  0.25099929
   0.05761892  0.12464212  0.48755846
   0.42342787  0.13800931  0.84290193
   0.10769946  0.37089979  0.61362617
   0.38467209  0.38079145  0.73869151
   0.14559075  0.70392692  0.00196927
   0.44991576  0.58975959  0.36699614
   0.07487009  0.91290518  0.14275984
   0.32217754  0.82683525  0.26911082
   0.18732843  0.59580422  0.47863457
   0.36592545  0.62587477  0.85476732
   0.09827271  0.86027565  0.58919259
   0.36895869  0.98971450  0.66607039
   0.65783711  0.12236692  1.01382702
   0.82169074  0.12928955  0.33387329
   0.63250541  0.41780522  0.10811349
   0.88993989  0.32102904  0.15589428
   0.62070990  0.17866438  0.48820025
   0.90007678  0.11293498  0.90110703
   0.61770277  0.41950350  0.60999256
   0.75742329  0.37524282  0.81392373
   0.59697075  0.67467794 -0.01584204
   0.93038239  0.60468496  0.36793922
   0.56868260  0.89639361  0.14289030
   0.83261218  0.83394691  0.23850456
   0.68556751  0.69616621  0.47512579
   0.86727427  0.63967156  0.88687055
   0.66012424  0.92274276  0.60426528
   0.88005086  0.89856137  0.74845819
   0.08611706  0.07547352  0.14304645
   0.35839538  0.19924198  0.27762261
   0.19287044  0.38562729  0.01328500
   0.41596190  0.42305933  0.35456201
   0.54588258  0.35585026  0.19707942
   0.29639889  0.42744393  0.18582690
   0.19959717  0.14345560  0.42996481
  -0.05743913  0.18419513  0.40977730
   0.02748678 -0.03168178  0.51045524
   0.48378445  0.24636586  0.75645560
   0.08105282  0.20604166  0.58846501
   0.37889377  0.46549024  0.83735632
   0.46366612  0.45845587  0.64401259
   0.22219855  0.36148059  0.69938004
   0.27948988  0.21570616 -0.12006194
   0.04384840  0.17372807  0.94730057
   0.14198149  0.61608095  0.10368440
   0.38643220  0.67423918  0.27419134
   0.13361157  0.85423253  0.03933460
   0.34020055  0.94529312  0.35613961
   0.41930314  0.90364672  0.19110741
   0.16144734  0.84518941  0.22793640
   0.34603575  0.63993209  0.44778821
   0.09740841  0.59542828  0.37944943
   0.19220735  0.43444919  0.52043552
   0.29170990  0.68836790  0.75862405
   0.11645605  0.71471451  0.54247979
   0.37354351  1.00116471  0.78579415
   0.51219604  0.91418436  0.64205456
   0.25519012  0.89828736  0.61646475
   0.28134798  0.66953342 -0.04866188
   0.01773838  0.68169220  0.92291124
   0.64046037  0.03801662  0.11339683
   0.86005804  0.20425731  0.23341665
   0.66372400  0.28662112  0.03624627
   0.87268191  0.45371052  0.35531232
   0.04185323  0.39121130  0.18217443
   0.78164936  0.45774074  0.15017957
   0.67690496  0.14258877  0.37409746
   0.45406293  0.12875657  0.46933230
   0.69720839  0.08487708  0.56182649
   0.82455571  0.24157275  0.84717289
   0.63457027  0.33711419  0.51207292
   0.86278720  0.49207525  0.84810144
   0.97877602  0.46807961  0.63013692
   0.71467541  0.37579624  0.69750600
   0.80103343  0.05514211  0.98524398
   0.52603370  0.10509338  0.93235534
   0.56514881  0.52753007  0.03758807
   0.87607085  0.68758807  0.27848727
   0.55711705  0.81098461  0.04608700
   0.85252674  0.96027136  0.31350237
   0.92609141  0.85056276  0.14397754
   0.66745588  0.82029318  0.21667330
   0.85350218  0.69091467  0.45161601
   0.60650260  0.61163553  0.39438439
   0.69082319  0.58114968  0.57930703
   0.83308622  0.75256978  0.80288516
   0.61441675  0.84983640  0.49036868
   0.95771815  0.99216843  0.82646001
   1.00540360  0.84938369  0.68106733
   0.73891842  0.97469949  0.71511134
   0.75729370  0.66106817  0.97215194
   0.51334320  0.67843692  0.88585079
   0.76976743  0.79541663  0.62202793
   0.20745646  0.79982667  0.37866021
   0.92637587  0.24373866  0.05852441
   0.93107256  0.37367212  0.37407652
   0.36518431  0.12503741  0.63530419
   0.25911109  0.78419841  0.76747232
   0.15886550  1.12071364  0.17876447
   0.28090274  1.13768054  0.05134100
   0.62771628  0.39829576  0.86300092
   0.74852901  0.63239563  0.61989500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828637    0.202547   -0.108763
    -0.000000    9.896849    0.076689
    -0.000000    0.000000   13.938051
   Si   O    H 
    32    64    10
Direct configuration=  2946
   0.19313893  0.22072561 -0.01500028
   0.34739752  0.11237524  0.38013157
   0.15779179  0.45201002  0.11554757
   0.39806027  0.34854200  0.25037153
   0.05744034  0.12477943  0.48810025
   0.42316842  0.13959059  0.84297956
   0.10829639  0.37097452  0.61338032
   0.38485764  0.38229405  0.73863488
   0.14674564  0.70366763  0.00174036
   0.44977713  0.58950566  0.36683485
   0.07413049  0.91262269  0.14151999
   0.32170804  0.82710000  0.26883415
   0.18688070  0.59475961  0.47936205
   0.36628959  0.62577251  0.85452821
   0.09874438  0.86082910  0.58883513
   0.36967764  0.99001905  0.66629737
   0.65641582  0.12259918  1.01360696
   0.82245910  0.12814211  0.33409041
   0.63157455  0.41878777  0.10746898
   0.88950080  0.32202142  0.15597711
   0.62141025  0.17749449  0.48782646
   0.90113673  0.11193998  0.90156701
   0.61959688  0.42087544  0.61021106
   0.75746765  0.37509002  0.81367577
   0.59645108  0.67345554 -0.01523255
   0.93015198  0.60419416  0.36707205
   0.56756077  0.89497809  0.14280161
   0.83259808  0.83328081  0.23941657
   0.68652115  0.69628170  0.47610221
   0.86799055  0.64045267  0.88715357
   0.66085959  0.92336502  0.60449705
   0.87965531  0.89939184  0.74895306
   0.08796315  0.07522927  0.14301643
   0.35613813  0.19850157  0.27846443
   0.19333221  0.38608746  0.01381193
   0.41744614  0.42506719  0.35440232
   0.54644529  0.35405152  0.19688742
   0.29600661  0.42718722  0.18522538
   0.20004232  0.14395790  0.42940875
  -0.05762285  0.18343415  0.40954502
   0.02666144 -0.03117118  0.50962443
   0.48375987  0.24519571  0.75807019
   0.08236385  0.20528191  0.58856595
   0.37741010  0.46461292  0.83600169
   0.46787559  0.45850150  0.64276013
   0.22147354  0.36161804  0.69966803
   0.27810011  0.21774823 -0.12095346
   0.04483723  0.17118911  0.94719378
   0.14206430  0.61733690  0.10477696
   0.38743291  0.67530645  0.27342152
   0.13327826  0.85566951  0.03835350
   0.33892826  0.94495355  0.35608179
   0.41909786  0.90438613  0.19101220
   0.16179256  0.84514525  0.22810329
   0.34695914  0.63987745  0.44871317
   0.09712435  0.59609135  0.37879177
   0.19246995  0.43421240  0.51967100
   0.29232207  0.68940125  0.75873283
   0.11595171  0.71654223  0.54232629
   0.37394890  1.00171861  0.78523639
   0.51128038  0.91327633  0.64244197
   0.25240517  0.89864685  0.61550582
   0.28160644  0.67029783 -0.04893152
   0.01838073  0.68038295  0.92221811
   0.64019125  0.03919465  0.11391437
   0.86084594  0.20452296  0.23436214
   0.66320192  0.28629861  0.03606631
   0.87278070  0.45188815  0.35527357
   0.04060754  0.39103709  0.18151076
   0.78266911  0.45857120  0.14968683
   0.67654450  0.14378700  0.37423723
   0.45524825  0.12977895  0.47061153
   0.69755981  0.08412842  0.56222626
   0.82571888  0.24154578  0.84607604
   0.63570661  0.33835644  0.51195645
   0.86461468  0.49120089  0.84884938
   0.97739770  0.46684726  0.62907270
   0.71574422  0.37735687  0.69674376
   0.80149028  0.05627612  0.98496264
   0.52534837  0.10602082  0.93179508
   0.56539416  0.52778955  0.03713239
   0.87529064  0.68838196  0.27801815
   0.55850654  0.80946754  0.04505356
   0.85101759  0.96048441  0.31369071
   0.92508836  0.85121122  0.14563630
   0.66757803  0.82077604  0.21758893
   0.85304260  0.69136407  0.45116763
   0.60722357  0.61138326  0.39474553
   0.69011950  0.58062659  0.57997369
   0.83343564  0.75369339  0.80275842
   0.61455091  0.84992463  0.48913743
   0.95675015  0.99229183  0.82635831
   1.00546808  0.84973656  0.68183427
   0.74014460  0.97394821  0.71459804
   0.75856102  0.66148539  0.97240496
   0.51427520  0.67785323  0.88553123
   0.76126462  0.79054471  0.62191603
   0.20752160  0.79089324  0.38321127
   0.91769765  0.24538588  0.06436842
   0.92337021  0.37100084  0.36846238
   0.36702212  0.13239624  0.63565722
   0.25698008  0.77738878  0.76956223
   0.15970278  1.11849333  0.17690282
   0.28714477  1.13767788  0.05141483
   0.62156229  0.40031653  0.85819929
   0.74962266  0.62625854  0.61299369
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825889    0.202641   -0.109139
    -0.000000    9.895009    0.071689
    -0.000000    0.000000   13.941173
   Si   O    H 
    32    64    10
Direct configuration=  2947
   0.19318368  0.22113294 -0.01455348
   0.34851752  0.11195872  0.37932286
   0.15804782  0.45164121  0.11462550
   0.39815962  0.34938826  0.25038585
   0.05702076  0.12582523  0.48805838
   0.42291353  0.14119944  0.84274314
   0.10950137  0.37114993  0.61319212
   0.38436074  0.38396777  0.73861124
   0.14801838  0.70341141  0.00170621
   0.44971822  0.58867609  0.36655832
   0.07380768  0.91285913  0.14032440
   0.32231891  0.82884883  0.26838792
   0.18672127  0.59360800  0.48013469
   0.36618076  0.62529034  0.85420546
   0.09886641  0.86111496  0.58867549
   0.37110900  0.99085922  0.66631045
   0.65494806  0.12253086  1.01383770
   0.82424154  0.12670155  0.33460863
   0.63091359  0.41942550  0.10684382
   0.88927185  0.32246481  0.15604098
   0.62160991  0.17594580  0.48707807
   0.90196082  0.10985208  0.90198970
   0.62044425  0.42233139  0.61067887
   0.75676430  0.37520310  0.81350346
   0.59612035  0.67244526 -0.01460976
   0.93041796  0.60377891  0.36653804
   0.56672987  0.89306419  0.14280598
   0.83276972  0.83299379  0.24040464
   0.68753076  0.69665243  0.47711779
   0.86805578  0.64169605  0.88749826
   0.66159355  0.92461101  0.60450497
   0.87867686  0.89954610  0.74993895
   0.08896928  0.07552122  0.14279150
   0.35402751  0.19747627  0.27946150
   0.19355402  0.38600278  0.01427913
   0.41896974  0.42642600  0.35506932
   0.54633094  0.35334698  0.19610428
   0.29523667  0.42604911  0.18456618
   0.19998252  0.14447520  0.42872955
  -0.05834341  0.18193471  0.40944301
   0.02658266 -0.02986432  0.50916488
   0.48358311  0.24392769  0.75972369
   0.08311240  0.20485029  0.58835572
   0.37697973  0.46377459  0.83510897
   0.47132862  0.45809466  0.64245000
   0.22040480  0.36143239  0.70015648
   0.27681811  0.21960530 -0.12107494
   0.04511228  0.16913249  0.94657532
   0.14231493  0.61845959  0.10568867
   0.38827064  0.67545611  0.27251364
   0.13325532  0.85705458  0.03764689
   0.33704011  0.94527260  0.35579049
   0.41877460  0.90433867  0.19152504
   0.16207423  0.84428438  0.22842990
   0.34739436  0.63912947  0.44952689
   0.09689105  0.59672107  0.37855022
   0.19353649  0.43510286  0.51915525
   0.29239255  0.69005939  0.75825195
   0.11535639  0.71743154  0.54222609
   0.37432500  1.00268890  0.78453044
   0.51033946  0.91215113  0.64285361
   0.24969508  0.89915357  0.61445327
   0.28240043  0.66950424 -0.04956732
   0.01886646  0.67935130  0.92178760
   0.63976239  0.04016996  0.11455662
   0.86103373  0.20660316  0.23499670
   0.66244522  0.28492345  0.03595854
   0.87343876  0.45081097  0.35522704
   0.03985792  0.39088154  0.18100762
   0.78288560  0.45892428  0.14903895
   0.67589610  0.14521405  0.37434069
   0.45698387  0.13020294  0.47165785
   0.69797108  0.08358727  0.56290507
   0.82731325  0.24078653  0.84487401
   0.63628320  0.33926742  0.51218556
   0.86643124  0.48991759  0.84957800
   0.97649439  0.46551331  0.62852197
   0.71685209  0.37797641  0.69625449
   0.80146720  0.05702175  0.98480849
   0.52619415  0.10756422  0.93121995
   0.56461189  0.52893344  0.03644363
   0.87429997  0.68821955  0.27684077
   0.56039318  0.80813336  0.04422215
   0.84891008  0.96007908  0.31367321
   0.92371935  0.85227809  0.14674943
   0.66764882  0.82098181  0.21848619
   0.85288139  0.69203057  0.45114632
   0.60699188  0.61196238  0.39519151
   0.68758620  0.57935073  0.57969156
   0.83438541  0.75488119  0.80245560
   0.61487519  0.84924378  0.48781576
   0.95503582  0.99276748  0.82611718
   1.00571774  0.85040951  0.68202579
   0.74152489  0.97225561  0.71387014
   0.75962429  0.66136795  0.97233536
   0.51498617  0.67617369  0.88485768
   0.75128628  0.79002983  0.62107494
   0.21193194  0.78449460  0.38709533
   0.90682627  0.25008309  0.07156390
   0.92071756  0.36338182  0.36584894
   0.36668368  0.13990690  0.63599305
   0.25409524  0.77693170  0.77135782
   0.16332207  1.11614656  0.17656953
   0.28502202  1.14214639  0.05177342
   0.62042679  0.40269758  0.85413576
   0.77072100  0.63146735  0.61934806
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822813    0.202775   -0.109820
    -0.000000    9.892973    0.066737
    -0.000000    0.000000   13.944303
   Si   O    H 
    32    64    10
Direct configuration=  2948
   0.19352003  0.22175825 -0.01437728
   0.34927773  0.11079831  0.37880375
   0.15830244  0.45207112  0.11386150
   0.39789021  0.35015244  0.25067795
   0.05721447  0.12737822  0.48819715
   0.42258094  0.14239731  0.84266813
   0.11046798  0.37177405  0.61280681
   0.38401734  0.38552364  0.73843190
   0.14841679  0.70319464  0.00199796
   0.44956308  0.58798692  0.36622091
   0.07356731  0.91278074  0.13909521
   0.32236768  0.83047594  0.26801214
   0.18759818  0.59327992  0.48104040
   0.36604501  0.62489009  0.85397693
   0.09892391  0.86228696  0.58855935
   0.37214640  0.99192905  0.66634347
   0.65337208  0.12326515  1.01392940
   0.82566916  0.12586122  0.33494632
   0.63024782  0.41927242  0.10628207
   0.88954495  0.32264619  0.15600450
   0.62080806  0.17475813  0.48611096
   0.90255693  0.10792755  0.90269867
   0.62147506  0.42362910  0.61091101
   0.75632799  0.37515236  0.81355665
   0.59545217  0.67212316 -0.01400060
   0.93072178  0.60355033  0.36616644
   0.56619960  0.89176881  0.14308933
   0.83241592  0.83268994  0.24136675
   0.68848625  0.69695282  0.47794895
   0.86751060  0.64289603  0.88727615
   0.66192862  0.92553087  0.60456889
   0.87820855  0.89956100  0.75095948
   0.08996131  0.07659819  0.14237525
   0.35172326  0.19602801  0.28027826
   0.19358451  0.38532182  0.01466152
   0.41979435  0.42760069  0.35551711
   0.54636784  0.35243029  0.19527236
   0.29425047  0.42582373  0.18314405
   0.19952493  0.14407164  0.42791430
  -0.06032377  0.18052112  0.40885531
   0.02553924 -0.02908799  0.50888237
   0.48325886  0.24344459  0.76147473
   0.08330589  0.20462171  0.58808629
   0.37672157  0.46288755  0.83401686
   0.47332605  0.45847625  0.64254528
   0.21995922  0.36066893  0.70139735
   0.27592566  0.22056336 -0.12071734
   0.04461953  0.16652124  0.94661572
   0.14264746  0.61906951  0.10604347
   0.38914356  0.67645678  0.27153503
   0.13314937  0.85865400  0.03720213
   0.33488833  0.94519208  0.35509849
   0.41921102  0.90418129  0.19186711
   0.16244443  0.84357357  0.22871360
   0.34672325  0.63770536  0.45053443
   0.09687075  0.59730413  0.37855736
   0.19472719  0.43598923  0.51826909
   0.29258724  0.69018298  0.75762966
   0.11556416  0.71792743  0.54200828
   0.37532315  1.00280126  0.78427421
   0.50900089  0.91115763  0.64324824
   0.24755409  0.90085327  0.61398493
   0.28333020  0.66859075 -0.05034963
   0.01977900  0.67761561  0.92131030
   0.63865094  0.04061581  0.11499471
   0.86101919  0.20898078  0.23645349
   0.66126898  0.28241580  0.03528922
   0.87455304  0.44893433  0.35555473
   0.03920177  0.39054550  0.18041367
   0.78297355  0.45916650  0.14831838
   0.67499768  0.14624271  0.37453946
   0.45813405  0.13084529  0.47279254
   0.69843802  0.08291535  0.56377452
   0.82901244  0.23878139  0.84391290
   0.63715191  0.34096855  0.51216134
   0.86774447  0.48872049  0.85020384
   0.97630516  0.46475742  0.62722204
   0.71803758  0.37873651  0.69597528
   0.80147330  0.05784995  0.98482285
   0.52701384  0.10846086  0.93053498
   0.56449930  0.52984602  0.03593559
   0.87316218  0.68826730  0.27610984
   0.56143549  0.80636343  0.04317293
   0.84638169  0.95958706  0.31343028
   0.92249748  0.85426940  0.14782333
   0.66845884  0.82057199  0.21986208
   0.85244987  0.69278218  0.45113614
   0.60701772  0.61270734  0.39595370
   0.68558904  0.57853423  0.57887430
   0.83563228  0.75608235  0.80188295
   0.61558757  0.84774303  0.48695973
   0.95383209  0.99401015  0.82615709
   1.00622186  0.85134687  0.68280326
   0.74236063  0.97150471  0.71293192
   0.75982726  0.66114256  0.97278141
   0.51523350  0.67407450  0.88397684
   0.74068673  0.79235090  0.61825431
   0.21406413  0.77719031  0.39073896
   0.89608559  0.25643554  0.07258380
   0.91989260  0.36332400  0.36495363
   0.36353263  0.14614657  0.63589076
   0.24988775  0.78041011  0.77251907
   0.16859553  1.11130697  0.17662059
   0.28111498  1.14853376  0.05284709
   0.62000073  0.40406614  0.85128554
   0.78323158  0.63005542  0.62286837
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819628    0.203433   -0.110401
    -0.000000    9.891297    0.062101
    -0.000000    0.000000   13.947681
   Si   O    H 
    32    64    10
Direct configuration=  2949
   0.19356933  0.22247173 -0.01481518
   0.34958823  0.10932125  0.37824477
   0.15891751  0.45208930  0.11339612
   0.39765973  0.35095628  0.25118225
   0.05729732  0.12895313  0.48810327
   0.42222955  0.14374180  0.84268997
   0.11171956  0.37164265  0.61226780
   0.38397349  0.38635416  0.73778691
   0.14872275  0.70333804  0.00209305
   0.44929383  0.58758234  0.36600899
   0.07383694  0.91243926  0.13811154
   0.32238356  0.83237911  0.26748223
   0.18845792  0.59320665  0.48172114
   0.36570550  0.62443277  0.85323768
   0.09933075  0.86316891  0.58814505
   0.37323035  0.99276299  0.66637801
   0.65132772  0.12393529  1.01434205
   0.82704894  0.12479374  0.33527200
   0.62968019  0.41919193  0.10545223
   0.88934685  0.32259171  0.15609441
   0.62002036  0.17383609  0.48499246
   0.90303729  0.10676753  0.90303987
   0.62292957  0.42519824  0.61133287
   0.75586980  0.37563863  0.81327612
   0.59538781  0.67128744 -0.01380325
   0.93099231  0.60329025  0.36589680
   0.56635172  0.89072362  0.14356036
   0.83191500  0.83269298  0.24208012
   0.68913282  0.69710766  0.47904560
   0.86710234  0.64405820  0.88678116
   0.66232691  0.92717491  0.60449838
   0.87802175  0.89965168  0.75189184
   0.09040950  0.07706224  0.14232126
   0.35015264  0.19467196  0.28109637
   0.19343275  0.38465691  0.01463391
   0.42010835  0.42852519  0.35580431
   0.54691102  0.35233626  0.19480467
   0.29337688  0.42487884  0.18209915
   0.19923783  0.14405897  0.42728169
  -0.06194962  0.17867139  0.40863996
   0.02505081 -0.02909007  0.50928327
   0.48225569  0.24330112  0.76364884
   0.08283863  0.20523340  0.58761748
   0.37703049  0.46261239  0.83310010
   0.47410512  0.45944383  0.64248848
   0.22037051  0.36013763  0.70214322
   0.27546247  0.22074881 -0.11985930
   0.04341221  0.16461288  0.94632478
   0.14289582  0.61988496  0.10642782
   0.38966099  0.67660359  0.27060076
   0.13347206  0.86018342  0.03692658
   0.33413163  0.94452789  0.35543619
   0.41956036  0.90370803  0.19192295
   0.16278816  0.84245146  0.22939937
   0.34642432  0.63618099  0.45127926
   0.09800855  0.59850560  0.37888698
   0.19594003  0.43765438  0.51706395
   0.29248615  0.68991318  0.75689166
   0.11568468  0.71736786  0.54219234
   0.37636990  1.00241495  0.78461470
   0.50765044  0.90973993  0.64362164
   0.24631464  0.90278280  0.61410590
   0.28512249  0.66746266 -0.05107474
   0.02085160  0.67621100  0.92089431
   0.63753177  0.04137109  0.11537522
   0.86194714  0.21002369  0.23851392
   0.65984878  0.28061139  0.03504440
   0.87583097  0.44757504  0.35525032
   0.03891022  0.38995144  0.17986977
   0.78268561  0.45949630  0.14758820
   0.67366445  0.14685793  0.37468281
   0.45908320  0.13269517  0.47368737
   0.69897761  0.08255424  0.56491110
   0.83005191  0.23595711  0.84312231
   0.63730106  0.34293806  0.51200518
   0.86848679  0.48813306  0.85052624
   0.97646093  0.46455226  0.62556599
   0.71832726  0.37867695  0.69632939
   0.80098007  0.05854183  0.98490925
   0.52813933  0.10907669  0.92997020
   0.56379193  0.53101493  0.03544520
   0.87225107  0.68765001  0.27615262
   0.56207084  0.80435963  0.04194588
   0.84456120  0.95913302  0.31320824
   0.92154193  0.85646144  0.14867601
   0.66907798  0.82047074  0.22071238
   0.85170892  0.69313289  0.45160074
   0.60729498  0.61257306  0.39686178
   0.68452842  0.57962125  0.57802880
   0.83702508  0.75705024  0.80143369
   0.61736615  0.84703706  0.48599790
   0.95260537  0.99535623  0.82592797
   1.00677202  0.85216283  0.68334726
   0.74277043  0.97108198  0.71218335
   0.75965576  0.66125591  0.97379301
   0.51503518  0.67205296  0.88282508
   0.73008420  0.79540806  0.61564510
   0.21798679  0.77129212  0.39455553
   0.88417716  0.25913584  0.06844658
   0.91982706  0.36363026  0.36577408
   0.35876371  0.14709574  0.63415730
   0.25003846  0.77411841  0.77092266
   0.17329597  1.10560246  0.17789738
   0.27753345  1.15591243  0.05407106
   0.62178418  0.40636281  0.85182277
   0.78297238  0.62406081  0.62240437
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816913    0.203840   -0.111205
    -0.000000    9.889581    0.057768
    -0.000000    0.000000   13.950676
   Si   O    H 
    32    64    10
Direct configuration=  2950
   0.19367956  0.22326741 -0.01538578
   0.34973443  0.10763758  0.37835454
   0.15957796  0.45244127  0.11312739
   0.39777310  0.35144018  0.25167016
   0.05720335  0.13039984  0.48812213
   0.42194474  0.14451413  0.84256708
   0.11268821  0.37162798  0.61204073
   0.38342979  0.38668116  0.73681755
   0.14879723  0.70298340  0.00212739
   0.44879072  0.58709911  0.36605170
   0.07414787  0.91192174  0.13726193
   0.32205656  0.83417973  0.26716779
   0.18870144  0.59249871  0.48217101
   0.36584864  0.62448345  0.85243513
   0.09909047  0.86340303  0.58773843
   0.37347153  0.99390876  0.66639621
   0.64955235  0.12466526  1.01471370
   0.82795547  0.12370482  0.33553203
   0.62943834  0.41953693  0.10446274
   0.88924904  0.32281571  0.15648922
   0.61908238  0.17360823  0.48425142
   0.90295125  0.10598372  0.90350280
   0.62401631  0.42707649  0.61146329
   0.75603004  0.37687144  0.81299063
   0.59556521  0.67059180 -0.01345670
   0.93148127  0.60303191  0.36560645
   0.56656449  0.89043651  0.14412700
   0.83164798  0.83370355  0.24238330
   0.68938407  0.69746464  0.47982742
   0.86681305  0.64459648  0.88663291
   0.66231652  0.92847164  0.60457239
   0.87829141  0.89990481  0.75281766
   0.09030025  0.07670274  0.14279193
   0.34999913  0.19374096  0.28174122
   0.19310521  0.38371720  0.01449355
   0.42066736  0.42859263  0.35597006
   0.54812339  0.35241138  0.19452822
   0.29263210  0.42439918  0.18109643
   0.19950105  0.14409227  0.42691453
  -0.06310543  0.17745715  0.40918689
   0.02411295 -0.02922404  0.51018206
   0.48022156  0.24458710  0.76580646
   0.08207733  0.20649594  0.58732051
   0.37660445  0.46255458  0.83239858
   0.47379285  0.45980727  0.64326214
   0.22125793  0.35954698  0.70292830
   0.27537932  0.22092199 -0.11855866
   0.04210571  0.16301744  0.94673695
   0.14321425  0.62062795  0.10678166
   0.38930990  0.67662806  0.26999551
   0.13356932  0.86106164  0.03660765
   0.33420491  0.94356442  0.35666772
   0.41990511  0.90303829  0.19151246
   0.16312620  0.84170895  0.22981231
   0.34617850  0.63505260  0.45223630
   0.09838502  0.59979982  0.37938548
   0.19623463  0.43922110  0.51627739
   0.29205606  0.68869880  0.75604649
   0.11589207  0.71737759  0.54230849
   0.37746119  1.00223756  0.78512352
   0.50687584  0.90901047  0.64359431
   0.24693220  0.90451516  0.61449396
   0.28686776  0.66555987 -0.05237415
   0.02282416  0.67393583  0.92097047
   0.63616133  0.04242137  0.11594636
   0.86187806  0.21016934  0.24001816
   0.65851429  0.27967322  0.03501867
   0.87694378  0.44778700  0.35510099
   0.03800839  0.38978707  0.17947499
   0.78231569  0.45948597  0.14706331
   0.67228836  0.14748221  0.37492640
   0.45934654  0.13419558  0.47444780
   0.69996935  0.08154050  0.56562328
   0.83063547  0.23256245  0.84254598
   0.63774219  0.34426204  0.51183668
   0.86892401  0.48822030  0.85100672
   0.97618644  0.46425534  0.62398401
   0.71913025  0.37847614  0.69733665
   0.80024961  0.05892402  0.98503326
   0.52994912  0.10900059  0.92966376
   0.56288091  0.53152309  0.03533181
   0.87155947  0.68717532  0.27545155
   0.56223489  0.80300461  0.04122703
   0.84226728  0.95895175  0.31268457
   0.92085704  0.85826666  0.15035264
   0.66969994  0.82096347  0.22148668
   0.85061342  0.69325437  0.45178223
   0.60749368  0.61230746  0.39809776
   0.68424743  0.58072436  0.57767314
   0.83889083  0.75693705  0.80145992
   0.61830772  0.84640817  0.48503194
   0.95124974  0.99709779  0.82639970
   1.00673761  0.85305739  0.68371201
   0.74357356  0.97163156  0.71175689
   0.75898434  0.66122427  0.97453013
   0.51531444  0.67059790  0.88124422
   0.72435134  0.79690549  0.61352638
   0.22388381  0.76770841  0.39777233
   0.87383487  0.25910008  0.06157014
   0.92705195  0.35977316  0.36690358
   0.35392874  0.13905304  0.63128823
   0.24707005  0.77545520  0.76983544
   0.17500084  1.09774933  0.17750808
   0.27688183  1.16098254  0.05704320
   0.62438361  0.40904698  0.85343685
   0.77259673  0.61289384  0.61634129
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814063    0.204040   -0.111548
    -0.000000    9.888182    0.053772
    -0.000000    0.000000   13.953618
   Si   O    H 
    32    64    10
Direct configuration=  2951
   0.19365559  0.22387853 -0.01624565
   0.34976567  0.10620303  0.37907557
   0.16011955  0.45287975  0.11307476
   0.39814867  0.35171714  0.25205764
   0.05776958  0.13158650  0.48777280
   0.42126559  0.14491659  0.84217270
   0.11345239  0.37179430  0.61159174
   0.38292190  0.38737392  0.73573038
   0.14878251  0.70242472  0.00274399
   0.44850275  0.58689887  0.36616747
   0.07467285  0.91132088  0.13654234
   0.32168046  0.83556671  0.26649921
   0.18884856  0.59181529  0.48248105
   0.36579079  0.62491902  0.85175057
   0.09857515  0.86422677  0.58693404
   0.37415958  0.99483236  0.66671375
   0.64765176  0.12472035  1.01502648
   0.82868524  0.12262726  0.33559436
   0.62959117  0.41889788  0.10370506
   0.88939276  0.32323643  0.15652878
   0.61816794  0.17342394  0.48370247
   0.90271006  0.10547367  0.90369979
   0.62519654  0.42840175  0.61136745
   0.75618209  0.37780833  0.81250684
   0.59545180  0.67050915 -0.01346198
   0.93136231  0.60232436  0.36576709
   0.56664293  0.89059066  0.14455336
   0.83139669  0.83506468  0.24279886
   0.68961005  0.69796415  0.48084463
   0.86630422  0.64512809  0.88666699
   0.66200173  0.92939016  0.60499008
   0.87881231  0.89980193  0.75409096
   0.09087542  0.07587569  0.14340987
   0.35003803  0.19299774  0.28234320
   0.19218057  0.38259805  0.01414722
   0.42102795  0.42847166  0.35613206
   0.54969411  0.35252292  0.19464101
   0.29065138  0.42384724  0.18024079
   0.20068670  0.14384980  0.42702115
  -0.06448450  0.17648245  0.41090796
   0.02296959 -0.03003242  0.51111668
   0.47823129  0.24651412  0.76783119
   0.08179491  0.20754233  0.58706448
   0.37625132  0.46344417  0.83207036
   0.47349758  0.45959271  0.64375796
   0.22223618  0.35914099  0.70388847
   0.27528694  0.22043878 -0.11699670
   0.04128042  0.16162147  0.94740078
   0.14362392  0.62100982  0.10703678
   0.38957346  0.67727652  0.26987229
   0.13260504  0.86155976  0.03619984
   0.33451363  0.94202776  0.35812412
   0.41980596  0.90215486  0.19083059
   0.16360172  0.84079645  0.23002535
   0.34540504  0.63407553  0.45307522
   0.09931455  0.60167540  0.37984143
   0.19689754  0.44015709  0.51649796
   0.29114189  0.68746632  0.75542836
   0.11535239  0.71682638  0.54223211
   0.37786404  1.00218193  0.78576567
   0.50604248  0.90800299  0.64367433
   0.24804454  0.90558429  0.61448268
   0.28872300  0.66340416 -0.05298068
   0.02557733  0.67146191  0.92129359
   0.63489396  0.04278895  0.11642992
   0.86221478  0.21028932  0.24170266
   0.65794404  0.27940584  0.03525130
   0.87823564  0.44816798  0.35412682
   0.03594765  0.39004527  0.17885485
   0.78124173  0.45873121  0.14646404
   0.67152363  0.14951856  0.37518621
   0.45945046  0.13572443  0.47514069
   0.70009397  0.08079195  0.56611239
   0.83082939  0.22970624  0.84230070
   0.63866920  0.34534328  0.51138496
   0.86862840  0.48871027  0.85204139
   0.97562467  0.46351843  0.62272339
   0.72074104  0.37798414  0.69889155
   0.79915960  0.05904983  0.98508473
   0.53127667  0.10868336  0.92961026
   0.56205713  0.53052058  0.03578605
   0.87112267  0.68598958  0.27509929
   0.56245660  0.80234541  0.04086861
   0.84103502  0.95930142  0.31254593
   0.92040992  0.86062116  0.15151263
   0.67076522  0.82138310  0.22234198
   0.85009361  0.69287352  0.45209233
   0.60781932  0.61155290  0.39882242
   0.68466750  0.58211972  0.57757554
   0.83997981  0.75706563  0.80186399
   0.61962283  0.84536190  0.48480268
   0.95019144  0.99786643  0.82654294
   1.00633727  0.85496962  0.68340847
   0.74332794  0.97285285  0.71147131
   0.75815757  0.66171840  0.97493625
   0.51665205  0.66916277  0.87951355
   0.72633380  0.79464540  0.60920939
   0.23040140  0.76229708  0.39805273
   0.86695458  0.26030252  0.05638987
   0.92851296  0.36255801  0.36850415
   0.34885784  0.12779445  0.62788193
   0.24158744  0.77626960  0.76688116
   0.17466248  1.08961701  0.17619083
   0.27836628  1.16437502  0.06266710
   0.62537014  0.40880753  0.85721352
   0.75599366  0.59987041  0.60697525
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811089    0.204052   -0.111470
    -0.000000    9.886931    0.050057
    -0.000000    0.000000   13.956377
   Si   O    H 
    32    64    10
Direct configuration=  2952
   0.19365377  0.22460748 -0.01728833
   0.34950951  0.10447284  0.38012240
   0.15990252  0.45270945  0.11346456
   0.39834354  0.35179346  0.25184180
   0.05833553  0.13232131  0.48713438
   0.42098112  0.14456722  0.84231090
   0.11402143  0.37171378  0.61076799
   0.38189158  0.38734703  0.73419193
   0.14823129  0.70162177  0.00286709
   0.44833487  0.58682184  0.36657936
   0.07541086  0.90992078  0.13575418
   0.32168591  0.83712919  0.26591301
   0.18896053  0.59145594  0.48225814
   0.36557708  0.62574977  0.85120495
   0.09812443  0.86549966  0.58634738
   0.37448785  0.99539227  0.66730336
   0.64587089  0.12407722  1.01532326
   0.82902768  0.12120466  0.33568914
   0.63009708  0.41789974  0.10293527
   0.88946935  0.32379814  0.15664041
   0.61717699  0.17333910  0.48336622
   0.90255094  0.10543176  0.90408344
   0.62598156  0.42957171  0.61114279
   0.75665613  0.37886897  0.81203321
   0.59489483  0.66992467 -0.01394096
   0.93195794  0.60191656  0.36564947
   0.56683644  0.89085441  0.14498182
   0.83082622  0.83644008  0.24311974
   0.68956687  0.69821402  0.48183908
   0.86528134  0.64527399  0.88686213
   0.66118029  0.92977726  0.60542282
   0.87990280  0.90007010  0.75510924
   0.09149568  0.07454286  0.14387770
   0.35013979  0.19228243  0.28227918
   0.19112454  0.38151446  0.01310886
   0.42204284  0.42781311  0.35618017
   0.55127573  0.35280444  0.19497199
   0.28938902  0.42354721  0.17956768
   0.20146975  0.14335295  0.42744516
  -0.06505002  0.17589754  0.41234253
   0.02339324 -0.03102620  0.51179089
   0.47687416  0.24851343  0.76863417
   0.08129676  0.20813561  0.58731881
   0.37540284  0.46449539  0.83180031
   0.47225571  0.45862721  0.64475383
   0.22308086  0.35948432  0.70392000
   0.27554170  0.21931605 -0.11613780
   0.04090919  0.16014118  0.94800553
   0.14381242  0.62092120  0.10725007
   0.38945767  0.67807738  0.27026490
   0.13195809  0.86079849  0.03574383
   0.33455990  0.94065225  0.35945119
   0.41896799  0.90086603  0.19014128
   0.16408466  0.84128096  0.23036143
   0.34468351  0.63337427  0.45388078
   0.10010935  0.60282363  0.38018726
   0.19696896  0.44050157  0.51749869
   0.29041628  0.68732585  0.75451372
   0.11508347  0.71582635  0.54274022
   0.37839976  1.00197442  0.78608238
   0.50507638  0.90761596  0.64408988
   0.24899600  0.90822432  0.61404416
   0.29014498  0.66206633 -0.05335871
   0.02855734  0.66942926  0.92182066
   0.63408163  0.04337691  0.11700064
   0.86258686  0.21067844  0.24318831
   0.65733825  0.27912128  0.03540923
   0.87968713  0.44897384  0.35365865
   0.03432982  0.38941911  0.17785234
   0.78073150  0.45820796  0.14551986
   0.67100366  0.15165539  0.37509245
   0.45903939  0.13689296  0.47520276
   0.69972259  0.07976691  0.56636606
   0.83028701  0.22900144  0.84226489
   0.63941069  0.34591470  0.51111303
   0.86946236  0.49040312  0.85286824
   0.97564895  0.46269366  0.62115133
   0.72152869  0.37769842  0.70067868
   0.79743083  0.05978626  0.98474056
   0.53266077  0.10831354  0.92930139
   0.56072653  0.53012655  0.03650484
   0.87088995  0.68599269  0.27555016
   0.56225731  0.80258386  0.04095912
   0.84009269  0.96015135  0.31282675
   0.91982731  0.86294642  0.15234555
   0.67123154  0.82125285  0.22264489
   0.84970181  0.69263588  0.45255660
   0.60787538  0.61124452  0.39925582
   0.68326700  0.58272853  0.57649502
   0.84130288  0.75668721  0.80220711
   0.62071077  0.84470906  0.48461897
   0.94990176  0.99774193  0.82730495
   1.00495291  0.85718080  0.68307727
   0.74306343  0.97453477  0.71046847
   0.75763859  0.66200171  0.97524074
   0.51917067  0.66829658  0.87820742
   0.73048204  0.79055374  0.60542385
   0.23648124  0.75682831  0.39721865
   0.86401401  0.26431561  0.05670257
   0.92768760  0.36624358  0.37203459
   0.34533763  0.12028628  0.62419586
   0.24243188  0.76927071  0.76210311
   0.17567700  1.08500053  0.17348184
   0.27768899  1.16614389  0.06637178
   0.62435066  0.40521361  0.86144309
   0.77966513  0.59865523  0.61534276
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807614    0.203845   -0.111552
    -0.000000    9.885806    0.046433
    -0.000000    0.000000   13.958748
   Si   O    H 
    32    64    10
Direct configuration=  2953
   0.19351045  0.22461122 -0.01850929
   0.34952648  0.10281184  0.38136578
   0.15922004  0.45290473  0.11410017
   0.39934595  0.35199085  0.25196608
   0.05913992  0.13293584  0.48597690
   0.42066527  0.14403401  0.84265235
   0.11442407  0.37178422  0.61003506
   0.38158227  0.38708919  0.73269603
   0.14793615  0.70101083  0.00313820
   0.44816007  0.58715551  0.36711930
   0.07554709  0.90871171  0.13584008
   0.32180731  0.83826984  0.26562961
   0.18924103  0.59208498  0.48193365
   0.36556020  0.62667610  0.85046150
   0.09771020  0.86640415  0.58607187
   0.37401521  0.99543114  0.66753812
   0.64419744  0.12292731  1.01588399
   0.82857912  0.11978125  0.33571852
   0.63129549  0.41730376  0.10182133
   0.88891865  0.32413278  0.15722753
   0.61620356  0.17402330  0.48349056
   0.90326670  0.10621180  0.90439386
   0.62711548  0.43028524  0.61100628
   0.75741607  0.37932529  0.81191359
   0.59514916  0.66932519 -0.01476820
   0.93267821  0.60133341  0.36614031
   0.56759436  0.89088485  0.14470774
   0.82987487  0.83743839  0.24348517
   0.68926269  0.69810977  0.48255899
   0.86487812  0.64526643  0.88666362
   0.66033327  0.92970037  0.60535229
   0.88024399  0.89987460  0.75555486
   0.09105903  0.07304313  0.14415515
   0.34976660  0.19172130  0.28168205
   0.19034560  0.38085286  0.01201223
   0.42321585  0.42693111  0.35537143
   0.55186136  0.35308182  0.19557450
   0.28844851  0.42366586  0.17924665
   0.20144075  0.14306002  0.42741634
  -0.06555351  0.17538198  0.41481406
   0.02404834 -0.03184729  0.51277328
   0.47516504  0.25089276  0.76873345
   0.08087026  0.20914439  0.58730083
   0.37500515  0.46650450  0.83222913
   0.47133083  0.45828960  0.64599511
   0.22477843  0.36022190  0.70386494
   0.27626116  0.21757003 -0.11458634
   0.04136564  0.15846672  0.94856354
   0.14385832  0.62066316  0.10717566
   0.38912813  0.67902123  0.27149783
   0.13142809  0.86000830  0.03446052
   0.33511230  0.93923385  0.36083758
   0.41810778  0.90042100  0.18893710
   0.16419808  0.84113016  0.23121612
   0.34411492  0.63206502  0.45444546
   0.09993032  0.60440082  0.38076919
   0.19712807  0.44069387  0.51809466
   0.28970291  0.68618006  0.75368034
   0.11494675  0.71506894  0.54270109
   0.37897242  1.00143551  0.78655829
   0.50475052  0.90671049  0.64375329
   0.25041496  0.91189928  0.61431289
   0.29058228  0.66074354 -0.05319164
   0.03033492  0.66739699  0.92257446
   0.63310762  0.04377517  0.11781250
   0.86344272  0.21234751  0.24447291
   0.65649232  0.27875150  0.03560857
   0.88163376  0.45005894  0.35381478
   0.03332078  0.38860128  0.17660722
   0.78038153  0.45813979  0.14492848
   0.67175850  0.15355397  0.37484084
   0.45731332  0.13718757  0.47511892
   0.69930373  0.07844388  0.56568460
   0.83014102  0.22798542  0.84245858
   0.63993729  0.34662638  0.51121992
   0.86995675  0.49197563  0.85345552
   0.97492207  0.46166907  0.61968432
   0.72233419  0.37775949  0.70115341
   0.79607383  0.06015343  0.98439116
   0.53367240  0.10751032  0.92878554
   0.55891801  0.52990515  0.03700707
   0.87075649  0.68564664  0.27628648
   0.56142976  0.80326094  0.04189294
   0.83892217  0.96135570  0.31327995
   0.91957732  0.86509675  0.15287350
   0.67034800  0.82083709  0.22233298
   0.84955978  0.69154500  0.45334402
   0.60803758  0.61177585  0.39914845
   0.68222818  0.58335431  0.57599401
   0.84240158  0.75603707  0.80250658
   0.62136823  0.84445125  0.48435985
   0.94909971  0.99805351  0.82874984
   1.00372640  0.85999052  0.68223679
   0.74314880  0.97550889  0.70989118
   0.75746020  0.66163138  0.97436247
   0.52194266  0.66773004  0.87701489
   0.73724380  0.78956319  0.60029337
   0.24364117  0.74931553  0.39299665
   0.86433159  0.26794500  0.06216101
   0.92814630  0.37109705  0.37560938
   0.34218682  0.12305689  0.62175690
   0.23816878  0.76929678  0.75875194
   0.18663905  1.08272217  0.17443072
   0.27616005  1.16546199  0.06734193
   0.62535695  0.40053037  0.86865585
   0.79404422  0.59610122  0.62019779
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803855    0.203031   -0.111836
    -0.000000    9.884752    0.043266
    -0.000000    0.000000   13.960656
   Si   O    H 
    32    64    10
Direct configuration=  2954
   0.19332430  0.22408992 -0.01943333
   0.34915042  0.10183844  0.38280327
   0.15817593  0.45271527  0.11446644
   0.39990568  0.35181906  0.25197876
   0.05938497  0.13310646  0.48495880
   0.42026464  0.14335269  0.84278630
   0.11478151  0.37127934  0.60985322
   0.38118524  0.38713852  0.73128414
   0.14719174  0.70029085  0.00332200
   0.44830271  0.58785395  0.36773169
   0.07579036  0.90756680  0.13602364
   0.32254719  0.83934362  0.26536282
   0.18911635  0.59306295  0.48174272
   0.36548792  0.62783356  0.85001315
   0.09727239  0.86752136  0.58582378
   0.37332985  0.99553644  0.66729578
   0.64292574  0.12221549  1.01622741
   0.82744608  0.11951024  0.33549465
   0.63137328  0.41602362  0.10033243
   0.88821204  0.32435677  0.15795379
   0.61490790  0.17497041  0.48363463
   0.90401070  0.10676225  0.90444326
   0.62845301  0.43073438  0.61082354
   0.75832052  0.37933155  0.81230621
   0.59534713  0.66854969 -0.01576123
   0.93301578  0.60096664  0.36671566
   0.56850002  0.89075565  0.14429484
   0.82914812  0.83808988  0.24363949
   0.68890111  0.69806556  0.48280194
   0.86469987  0.64555010  0.88647045
   0.65927783  0.92932040  0.60527873
   0.88009705  0.89981256  0.75575756
   0.09105019  0.07179551  0.14442550
   0.34971326  0.19126312  0.28140497
   0.19011372  0.38068249  0.01107275
   0.42482544  0.42588938  0.35470052
   0.55222310  0.35283510  0.19526617
   0.28834897  0.42296056  0.17906525
   0.20151028  0.14285070  0.42738302
  -0.06588230  0.17562609  0.41719156
   0.02482392 -0.03142569  0.51290843
   0.47392177  0.25344662  0.76879023
   0.08045801  0.21038569  0.58742885
   0.37396248  0.46858671  0.83230547
   0.47121009  0.45797375  0.64710282
   0.22609182  0.36119432  0.70356882
   0.27698751  0.21604515 -0.11332127
   0.04267077  0.15722905  0.94976107
   0.14377735  0.62017576  0.10653241
   0.38949541  0.67988656  0.27259169
   0.13131494  0.85922904  0.03268359
   0.33616042  0.93797215  0.36228530
   0.41762551  0.90009259  0.18766097
   0.16430955  0.84202715  0.23106248
   0.34369596  0.63145158  0.45506967
   0.09990951  0.60571227  0.38099851
   0.19743135  0.44114117  0.51858891
   0.28929027  0.68457751  0.75325561
   0.11447722  0.71436985  0.54236656
   0.37980208  1.00077396  0.78675100
   0.50514422  0.90643007  0.64274209
   0.25162175  0.91484481  0.61426341
   0.29080556  0.65982902 -0.05322388
   0.03184878  0.66596009  0.92337384
   0.63159660  0.04348930  0.11810989
   0.86385881  0.21398533  0.24540234
   0.65508162  0.28017452  0.03487428
   0.88374382  0.45074488  0.35416803
   0.03320825  0.38759421  0.17476122
   0.78104785  0.45844096  0.14450569
   0.67267719  0.15605810  0.37492592
   0.45498663  0.13796625  0.47435259
   0.69842312  0.07730656  0.56515484
   0.83056733  0.22700758  0.84258383
   0.64001270  0.34619108  0.51126942
   0.86991325  0.49329350  0.85307801
   0.97552447  0.46071192  0.61809187
   0.72192769  0.37806876  0.70175104
   0.79488839  0.06095034  0.98370051
   0.53393402  0.10639124  0.92783750
   0.55764324  0.52912417  0.03781815
   0.87222045  0.68579890  0.27695102
   0.56057832  0.80527668  0.04331255
   0.83898753  0.96395972  0.31351206
   0.91991803  0.86724329  0.15319205
   0.66953434  0.82026719  0.22136137
   0.84930186  0.69027771  0.45403954
   0.60757738  0.61219349  0.39907935
   0.68212459  0.58342635  0.57618262
   0.84251540  0.75581974  0.80371380
   0.62107561  0.84531804  0.48452530
   0.94923001  0.99770667  0.82995706
   1.00294784  0.86262860  0.68172759
   0.74255325  0.97525115  0.70931624
   0.75723766  0.66157896  0.97369711
   0.52488864  0.66807437  0.87629523
   0.74226917  0.79071607  0.59737275
   0.25055094  0.73943948  0.38805016
   0.86780287  0.26912653  0.06822002
   0.92953867  0.36850619  0.38178524
   0.34230376  0.12774004  0.61855695
   0.23514965  0.77224901  0.75663437
   0.18691710  1.08312470  0.17440791
   0.27276171  1.16443244  0.06440134
   0.62915011  0.39701602  0.87374717
   0.79280451  0.59269862  0.61691011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800167    0.201863   -0.112766
    -0.000000    9.883369    0.040404
    -0.000000    0.000000   13.962513
   Si   O    H 
    32    64    10
Direct configuration=  2955
   0.19309111  0.22296602 -0.02028873
   0.34859189  0.10106121  0.38381514
   0.15712341  0.45258948  0.11491899
   0.40055129  0.35127886  0.25179111
   0.05914645  0.13300283  0.48432684
   0.41960452  0.14229371  0.84336945
   0.11564939  0.37119022  0.60986459
   0.38112880  0.38710069  0.73001740
   0.14632304  0.69971703  0.00331031
   0.44915496  0.58874581  0.36805009
   0.07645266  0.90625046  0.13648065
   0.32256463  0.83979966  0.26538596
   0.18898495  0.59414005  0.48164640
   0.36496287  0.62863747  0.84930789
   0.09687066  0.86787373  0.58581640
   0.37283618  0.99550483  0.66711761
   0.64165497  0.12123996  1.01654041
   0.82603077  0.11915162  0.33503381
   0.63128449  0.41465587  0.09940220
   0.88736555  0.32409223  0.15844659
   0.61386510  0.17522065  0.48373037
   0.90414449  0.10769298  0.90409602
   0.62937397  0.43035819  0.61070635
   0.75886267  0.37945032  0.81303714
   0.59541506  0.66783616 -0.01703966
   0.93297490  0.60088125  0.36717795
   0.56940296  0.89097892  0.14381466
   0.82871578  0.83873146  0.24359733
   0.68831317  0.69821879  0.48264389
   0.86514674  0.64584137  0.88632817
   0.65848751  0.92859484  0.60502016
   0.88068494  0.90044612  0.75553456
   0.09123889  0.07058546  0.14481505
   0.35011106  0.19084919  0.28176916
   0.18896623  0.38099333  0.01003260
   0.42545729  0.42510045  0.35440051
   0.55242854  0.35294243  0.19479592
   0.28886419  0.42341388  0.17907359
   0.20131460  0.14343184  0.42724553
  -0.06637772  0.17609497  0.41921823
   0.02525515 -0.03051378  0.51266506
   0.47383964  0.25576095  0.76814146
   0.08015574  0.21121372  0.58745322
   0.37281738  0.46994495  0.83198432
   0.47202743  0.45809567  0.64722592
   0.22745209  0.36198724  0.70291302
   0.27845310  0.21307596 -0.11254026
   0.04415157  0.15616277  0.95149994
   0.14374161  0.61891113  0.10606251
   0.38897823  0.67988741  0.27352782
   0.13115145  0.85896802  0.03081285
   0.33795026  0.93722393  0.36317686
   0.41708731  0.89938992  0.18632378
   0.16450150  0.84291017  0.23078456
   0.34261661  0.63140763  0.45607276
   0.09930456  0.60717089  0.38079752
   0.19765979  0.44097594  0.51963338
   0.28937515  0.68322746  0.75249925
   0.11483527  0.71407639  0.54248647
   0.38006113  1.00122491  0.78725435
   0.50559738  0.90585085  0.64187513
   0.25179367  0.91734277  0.61453563
   0.28995279  0.65927716 -0.05324643
   0.03278063  0.66502024  0.92422848
   0.62983959  0.04318075  0.11874177
   0.86392151  0.21501827  0.24638697
   0.65387658  0.28194324  0.03461795
   0.88566818  0.45070768  0.35461214
   0.03382504  0.38690452  0.17302630
   0.78167270  0.45873458  0.14416941
   0.67314845  0.15858312  0.37505584
   0.45254563  0.13866819  0.47368609
   0.69789453  0.07643864  0.56376759
   0.83105398  0.22644940  0.84215703
   0.63982379  0.34528286  0.51117156
   0.86981329  0.49382930  0.85266215
   0.97581890  0.45952768  0.61685579
   0.72114481  0.37895171  0.70181321
   0.79304385  0.06154147  0.98354818
   0.53434289  0.10579425  0.92741278
   0.55594637  0.52834816  0.03817293
   0.87458544  0.68570958  0.27734769
   0.55927486  0.80737728  0.04469040
   0.83916294  0.96594970  0.31416095
   0.92038926  0.86947869  0.15325562
   0.66835311  0.82002222  0.22122288
   0.84912345  0.68950042  0.45442091
   0.60637238  0.61299654  0.39895494
   0.68205606  0.58304542  0.57708141
   0.84153863  0.75541386  0.80478295
   0.62073543  0.84608304  0.48422225
   0.94915175  0.99695711  0.83085387
   1.00152848  0.86562838  0.68138951
   0.74272834  0.97421823  0.70887114
   0.75724567  0.66085442  0.97369097
   0.52743272  0.66930659  0.87564207
   0.74491269  0.79600868  0.59846116
   0.25623101  0.73092453  0.38199735
   0.87371729  0.26436307  0.06947662
   0.92785770  0.37264841  0.38835458
   0.34041916  0.13043820  0.61813200
   0.23892420  0.76934440  0.75451270
   0.17678637  1.08189023  0.17130123
   0.27046802  1.16560718  0.05767872
   0.63792188  0.39182905  0.87886142
   0.78437255  0.58856987  0.60850978
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796465    0.201164   -0.114193
    -0.000000    9.881876    0.038094
    -0.000000    0.000000   13.964388
   Si   O    H 
    32    64    10
Direct configuration=  2956
   0.19215263  0.22158596 -0.02106413
   0.34740941  0.10058133  0.38424174
   0.15653228  0.45178813  0.11532966
   0.40120276  0.35044407  0.25123700
   0.05913040  0.13238187  0.48412199
   0.41893504  0.14176884  0.84365140
   0.11632712  0.37134695  0.60969281
   0.38056700  0.38668996  0.72918564
   0.14587859  0.69909182  0.00319744
   0.45026717  0.58945000  0.36834176
   0.07765683  0.90503175  0.13688285
   0.32235981  0.84034237  0.26566596
   0.18803921  0.59501955  0.48188232
   0.36461617  0.62962088  0.84872922
   0.09599780  0.86782265  0.58574760
   0.37180086  0.99565415  0.66693924
   0.64010927  0.12047691  1.01636834
   0.82431902  0.11905964  0.33508682
   0.63131452  0.41359326  0.09872313
   0.88639039  0.32477044  0.15910506
   0.61312745  0.17520874  0.48382611
   0.90418794  0.10886181  0.90390837
   0.63018576  0.42946018  0.61088081
   0.75965935  0.37917459  0.81382827
   0.59520177  0.66720111 -0.01831546
   0.93296562  0.60100770  0.36741479
   0.57049108  0.89174400  0.14343834
   0.82763632  0.83876008  0.24356046
   0.68720767  0.69945538  0.48235844
   0.86598434  0.64679571  0.88601874
   0.65785317  0.92721768  0.60468924
   0.88165388  0.90062947  0.75494815
   0.09130748  0.06920773  0.14506356
   0.34996993  0.19166308  0.28243201
   0.18837724  0.38108478  0.00958755
   0.42730477  0.42441776  0.35410405
   0.55206532  0.35294513  0.19430623
   0.29002379  0.42284852  0.17923027
   0.20043631  0.14407742  0.42731651
  -0.06747214  0.17601718  0.42104538
   0.02565160 -0.02980342  0.51167890
   0.47432780  0.25777868  0.76768052
   0.07965958  0.21162967  0.58693167
   0.37165248  0.47057970  0.83112646
   0.47365113  0.45849381  0.64789609
   0.22897181  0.36248363  0.70170000
   0.28039871  0.21068245 -0.11280690
   0.04578566  0.15471008  0.95334551
   0.14329074  0.61682717  0.10592273
   0.38769694  0.67975025  0.27383800
   0.13139380  0.85876392  0.02913290
   0.33963706  0.93702131  0.36378816
   0.41629671  0.89968865  0.18481202
   0.16470195  0.84301229  0.23065375
   0.34255345  0.63278720  0.45750302
   0.09888197  0.60846702  0.38072665
   0.19930302  0.44075316  0.52054220
   0.28904558  0.68278923  0.75148234
   0.11554110  0.71438022  0.54279881
   0.38045393  1.00306217  0.78749297
   0.50626530  0.90534039  0.64129992
   0.25190026  0.91890874  0.61474179
   0.28842224  0.65848253 -0.05280466
   0.03280942  0.66483496  0.92467323
   0.62762872  0.04235746  0.11864759
   0.86473507  0.21674880  0.24699623
   0.65260979  0.28333529  0.03430440
   0.88714053  0.45057476  0.35441333
   0.03501202  0.38637110  0.17185481
   0.78184013  0.45879419  0.14336783
   0.67341170  0.16075563  0.37546836
   0.45057165  0.13963948  0.47278909
   0.69784856  0.07681794  0.56181140
   0.83103320  0.22661291  0.84172903
   0.63967429  0.34364565  0.51123886
   0.86922504  0.49417400  0.85226710
   0.97583228  0.45830374  0.61548217
   0.72131172  0.38071072  0.70154287
   0.79094787  0.06233290  0.98294856
   0.53468763  0.10419540  0.92709232
   0.55445904  0.52800277  0.03880428
   0.87658511  0.68608808  0.27765400
   0.55729932  0.81005625  0.04578774
   0.83964510  0.96704500  0.31514259
   0.92132275  0.87144032  0.15348842
   0.66700955  0.81966511  0.22071367
   0.84923949  0.68897580  0.45469688
   0.60455443  0.61357197  0.39921513
   0.68304098  0.58245041  0.57802631
   0.84088019  0.75491943  0.80547723
   0.62015936  0.84714013  0.48429908
   0.95013238  0.99787533  0.83167378
   1.00019347  0.86814846  0.68120076
   0.74266451  0.97229664  0.70933777
   0.75767779  0.65998903  0.97402563
   0.52975091  0.67051139  0.87540460
   0.74817691  0.80486858  0.60244311
   0.26146123  0.72377625  0.37692119
   0.87980185  0.25488554  0.06732852
   0.92670909  0.37385537  0.39583782
   0.34353432  0.13119877  0.61948655
   0.24058003  0.76109022  0.75346427
   0.17491634  1.08798426  0.17273383
   0.26827973  1.16412535  0.05408107
   0.64911685  0.39052228  0.88047301
   0.76765786  0.58327320  0.59764633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.793044    0.200495   -0.115173
    -0.000000    9.880880    0.035806
    -0.000000    0.000000   13.965904
   Si   O    H 
    32    64    10
Direct configuration=  2957
   0.19085094  0.22063109 -0.02210888
   0.34537850  0.10003100  0.38481150
   0.15621681  0.45098964  0.11551691
   0.40187463  0.34918034  0.25064251
   0.05943618  0.13146235  0.48377303
   0.41859834  0.14130578  0.84351649
   0.11707226  0.37154848  0.60946216
   0.38015928  0.38620629  0.72908951
   0.14592810  0.69920150  0.00300957
   0.45097193  0.59023289  0.36849097
   0.07898354  0.90369348  0.13678327
   0.32153701  0.84026870  0.26573100
   0.18657766  0.59519434  0.48210895
   0.36433359  0.63031035  0.84825432
   0.09524971  0.86775705  0.58566702
   0.37168782  0.99586814  0.66739954
   0.63946609  0.11963625  1.01576482
   0.82235640  0.11984900  0.33523783
   0.63099339  0.41241402  0.09870790
   0.88573179  0.32567437  0.15950938
   0.61275579  0.17503262  0.48436332
   0.90398122  0.11015321  0.90409463
   0.63002469  0.42794870  0.61090147
   0.76032000  0.37784385  0.81460183
   0.59496443  0.66688110 -0.01926358
   0.93297065  0.60118806  0.36796912
   0.57123221  0.89224513  0.14262785
   0.82705467  0.83936586  0.24407196
   0.68619433  0.70071529  0.48211915
   0.86713921  0.64779562  0.88637284
   0.65760679  0.92610166  0.60409403
   0.88216730  0.90057158  0.75421352
   0.09076205  0.06765905  0.14445149
   0.35029178  0.19374193  0.28329263
   0.18827274  0.38146249  0.00919970
   0.42856513  0.42425067  0.35395070
   0.55090651  0.35347422  0.19416820
   0.29168442  0.42227896  0.17914894
   0.19914744  0.14493555  0.42758136
  -0.06936380  0.17591746  0.42221616
   0.02541881 -0.02844769  0.51027867
   0.47512752  0.25884105  0.76711906
   0.07917265  0.21186102  0.58625376
   0.37110901  0.47127982  0.83027447
   0.47584191  0.45843037  0.64846898
   0.23051569  0.36218128  0.70100782
   0.28227157  0.20774903 -0.11293780
   0.04725552  0.15395454  0.95491052
   0.14300143  0.61613629  0.10586076
   0.38615878  0.68007711  0.27423867
   0.13233325  0.85856427  0.02811093
   0.34078998  0.93696162  0.36414592
   0.41489874  0.89956472  0.18312331
   0.16500665  0.84271752  0.23070893
   0.34315248  0.63469768  0.45764952
   0.09835768  0.61045027  0.38072634
   0.20165610  0.44094715  0.52139996
   0.28951536  0.68078764  0.75114534
   0.11662676  0.71519422  0.54311918
   0.38084565  1.00468787  0.78765463
   0.50638386  0.90441110  0.64085536
   0.25196658  0.92001291  0.61451769
   0.28665328  0.65817492 -0.05226646
   0.03221198  0.66454249  0.92537379
   0.62538026  0.04188558  0.11859809
   0.86498493  0.21800387  0.24751635
   0.65171947  0.28381746  0.03399718
   0.88878487  0.44978645  0.35422522
   0.03571877  0.38621765  0.17086446
   0.78190715  0.45836896  0.14317453
   0.67333490  0.16255827  0.37606284
   0.44871834  0.14015197  0.47214967
   0.69712156  0.07654079  0.55944780
   0.83100617  0.22707626  0.84074580
   0.63943015  0.34198197  0.51161358
   0.86794195  0.49367295  0.85209043
   0.97574889  0.45728089  0.61469468
   0.72106130  0.38212458  0.70114426
   0.78917750  0.06256893  0.98266657
   0.53488328  0.10276884  0.92647901
   0.55267913  0.52845477  0.03955218
   0.87838052  0.68719480  0.27795767
   0.55542748  0.81206803  0.04639813
   0.84119943  0.96700053  0.31670401
   0.92187009  0.87334592  0.15360646
   0.66618387  0.82019659  0.22030312
   0.84991736  0.68826382  0.45518321
   0.60210412  0.61416180  0.39895366
   0.68179560  0.58171518  0.57840568
   0.84113226  0.75513759  0.80609511
   0.61921511  0.84873073  0.48457370
   0.95146342  0.99737032  0.83235785
   0.99879216  0.87027743  0.68059857
   0.74253645  0.97022486  0.70953050
   0.75824042  0.65973165  0.97392967
   0.53105367  0.67106607  0.87538394
   0.75392966  0.80866886  0.60818550
   0.26887797  0.72160046  0.37661670
   0.88644990  0.24320751  0.06730162
   0.92401367  0.37973363  0.40262412
   0.34773151  0.12778175  0.62386428
   0.22796521  0.77029075  0.75274387
   0.18335459  1.10013515  0.17733016
   0.26799279  1.16097887  0.05597603
   0.65343646  0.39034771  0.88129468
   0.78428743  0.57947671  0.59524829
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789460    0.199246   -0.116189
    -0.000000    9.880010    0.033017
    -0.000000    0.000000   13.967091
   Si   O    H 
    32    64    10
Direct configuration=  2958
   0.18906073  0.22011489 -0.02287758
   0.34300041  0.09968350  0.38541300
   0.15656718  0.45083575  0.11532899
   0.40291223  0.34779855  0.24989619
   0.06002719  0.13026470  0.48433221
   0.41864030  0.14034299  0.84356690
   0.11796210  0.37158773  0.60945505
   0.37963492  0.38578002  0.72943353
   0.14574239  0.69925792  0.00259047
   0.45160770  0.59042061  0.36868025
   0.07989909  0.90218730  0.13687017
   0.32058440  0.84033652  0.26581710
   0.18448711  0.59594410  0.48252729
   0.36438817  0.63047151  0.84812746
   0.09468891  0.86836572  0.58547567
   0.37190371  0.99584309  0.66789969
   0.63901826  0.11907261  1.01517537
   0.82102211  0.12115734  0.33509703
   0.63078796  0.41073189  0.09905191
   0.88515397  0.32649006  0.16022435
   0.61248934  0.17567110  0.48481327
   0.90418021  0.11102794  0.90454621
   0.62990077  0.42655808  0.61116965
   0.76096938  0.37652137  0.81538357
   0.59449764  0.66672934 -0.01985379
   0.93338164  0.60168877  0.36855804
   0.57184353  0.89330750  0.14226192
   0.82638524  0.83951019  0.24450512
   0.68556388  0.70176032  0.48170398
   0.86879214  0.64863145  0.88725717
   0.65769786  0.92484688  0.60400843
   0.88221162  0.90113617  0.75421515
   0.09100836  0.06621070  0.14304393
   0.35085138  0.19580885  0.28409435
   0.18770626  0.38148598  0.00856280
   0.42992335  0.42352148  0.35371457
   0.54911982  0.35388450  0.19318235
   0.29273982  0.42178734  0.17980820
   0.19782869  0.14604160  0.42730631
  -0.07171028  0.17591751  0.42295317
   0.02456957 -0.02691762  0.50912519
   0.47527622  0.25941970  0.76664766
   0.07895232  0.21239733  0.58579412
   0.37039509  0.47279259  0.82926349
   0.47821545  0.45853994  0.64923114
   0.23054128  0.36158215  0.70009226
   0.28435170  0.20458419 -0.11353791
   0.04808682  0.15273573  0.95581663
   0.14252306  0.61530259  0.10528128
   0.38438164  0.68082627  0.27501646
   0.13374270  0.85862999  0.02761698
   0.34151352  0.93688054  0.36446370
   0.41393566  0.89984610  0.18224953
   0.16559649  0.84312534  0.23128647
   0.34354217  0.63640074  0.45648856
   0.09824857  0.61078812  0.38094226
   0.20340569  0.44192378  0.52207993
   0.28934833  0.68047439  0.75173359
   0.11839783  0.71614127  0.54305520
   0.38091508  1.00594747  0.78776138
   0.50614806  0.90371840  0.64076398
   0.25153605  0.92022233  0.61402367
   0.28420377  0.65874819 -0.05157319
   0.03135968  0.66371967  0.92576731
   0.62283470  0.04264582  0.11846569
   0.86612524  0.21817135  0.24764752
   0.65103400  0.28446103  0.03328443
   0.89098642  0.44884491  0.35401707
   0.03622047  0.38604002  0.16962902
   0.78167583  0.45673766  0.14260140
   0.67390425  0.16289534  0.37686842
   0.44684500  0.14098595  0.47213937
   0.69653975  0.07615183  0.55754711
   0.83069325  0.22775841  0.84023364
   0.63940764  0.33996314  0.51280952
   0.86672671  0.49331190  0.85195470
   0.97619688  0.45576355  0.61350513
   0.72037419  0.38336910  0.70033333
   0.78801264  0.06269290  0.98262574
   0.53476146  0.10178401  0.92589355
   0.55089697  0.52928132  0.04016971
   0.87997223  0.68865230  0.27807518
   0.55365860  0.81340016  0.04553123
   0.84300443  0.96611389  0.31775226
   0.92268614  0.87531893  0.15408722
   0.66594622  0.82151311  0.21989971
   0.85042634  0.68746760  0.45572500
   0.60039765  0.61398677  0.39864509
   0.68123779  0.58165999  0.57902872
   0.84208273  0.75685649  0.80645717
   0.61803282  0.85059088  0.48477121
   0.95205591  0.99604775  0.83271872
   0.99774550  0.87177272  0.67939995
   0.74310632  0.96774427  0.70996506
   0.75875882  0.65977976  0.97395278
   0.53221871  0.67156273  0.87519766
   0.76097848  0.80870104  0.61149799
   0.27474829  0.72018307  0.37651968
   0.89359178  0.23334980  0.06991078
   0.91978974  0.38991937  0.40350387
   0.35685590  0.12583458  0.62831306
   0.22561642  0.76717223  0.75378436
   0.17829625  1.10881595  0.18027574
   0.26887097  1.15534472  0.05965782
   0.65343103  0.39374039  0.88138668
   0.79687756  0.57393832  0.59275727
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.785698    0.198351   -0.117068
    -0.000000    9.879461    0.030360
    -0.000000    0.000000   13.968528
   Si   O    H 
    32    64    10
Direct configuration=  2959
   0.18794876  0.21918996 -0.02325755
   0.34097210  0.09896321  0.38625452
   0.15708734  0.45120707  0.11504538
   0.40446879  0.34681526  0.24911504
   0.06045306  0.12930203  0.48504557
   0.41927218  0.13990345  0.84374911
   0.11864095  0.37108405  0.60905830
   0.37992247  0.38581506  0.73001491
   0.14520834  0.69889659  0.00239991
   0.45202236  0.59079951  0.36897444
   0.08091804  0.90113672  0.13669005
   0.32023059  0.84010851  0.26643200
   0.18243883  0.59688413  0.48260060
   0.36400246  0.63056653  0.84777702
   0.09459473  0.86869565  0.58485463
   0.37207195  0.99600566  0.66832000
   0.63873944  0.11887007  1.01500137
   0.81982273  0.12301586  0.33482065
   0.63025170  0.40936440  0.09934114
   0.88469558  0.32682295  0.16025494
   0.61237412  0.17651885  0.48513726
   0.90426633  0.11248069  0.90512854
   0.63026447  0.42495351  0.61125719
   0.76160495  0.37552921  0.81626826
   0.59439770  0.66669824 -0.02006525
   0.93277043  0.60221911  0.36872190
   0.57253586  0.89429338  0.14172964
   0.82622799  0.83905899  0.24513370
   0.68507227  0.70290742  0.48108415
   0.87122152  0.64962314  0.88836264
   0.65798155  0.92365410  0.60398854
   0.88225331  0.90183117  0.75435095
   0.09242685  0.06488469  0.14252485
   0.35117952  0.19777138  0.28459066
   0.18735465  0.38127471  0.00797679
   0.43092310  0.42228824  0.35333893
   0.54706613  0.35454532  0.19201507
   0.29382571  0.42164504  0.18035315
   0.19683608  0.14665890  0.42642267
  -0.07437970  0.17659739  0.42340548
   0.02355961 -0.02509305  0.50815699
   0.47583293  0.25978796  0.76639137
   0.07906105  0.21328298  0.58470596
   0.37041010  0.47434476  0.82836702
   0.48074062  0.45830706  0.64969206
   0.22875750  0.36150396  0.69861377
   0.28649830  0.20113178 -0.11406617
   0.04800851  0.15179763  0.95662677
   0.14300311  0.61405066  0.10468775
   0.38254403  0.68130392  0.27618942
   0.13569372  0.85895292  0.02779352
   0.34211406  0.93671340  0.36425006
   0.41282526  0.89980578  0.18114955
   0.16647518  0.84344461  0.23141260
   0.34381876  0.63799521  0.45512219
   0.09814650  0.61130241  0.38151279
   0.20523098  0.44344932  0.52270821
   0.28825026  0.68119389  0.75161004
   0.11988027  0.71716792  0.54310578
   0.38094307  1.00618983  0.78749665
   0.50480873  0.90306446  0.64100519
   0.25022983  0.92029628  0.61386481
   0.28204648  0.65956407 -0.05062866
   0.02989445  0.66306257  0.92655509
   0.62045416  0.04378103  0.11848594
   0.86699376  0.21822389  0.24716814
   0.65004683  0.28413991  0.03227565
   0.89246927  0.44814874  0.35341226
   0.03626461  0.38627442  0.16844878
   0.78121350  0.45506516  0.14228544
   0.67513674  0.16344272  0.37722771
   0.44525815  0.14164733  0.47236502
   0.69602953  0.07586720  0.55581580
   0.83064267  0.22877382  0.83980997
   0.63795198  0.33820539  0.51405157
   0.86600698  0.49306450  0.85180363
   0.97541685  0.45492761  0.61295345
   0.72013095  0.38393743  0.69979354
   0.78805203  0.06328287  0.98289372
   0.53506271  0.10097540  0.92507129
   0.54927372  0.53007938  0.04076292
   0.88234723  0.68994721  0.27740333
   0.55226894  0.81375178  0.04448593
   0.84522295  0.96508553  0.31884853
   0.92346544  0.87713995  0.15478233
   0.66592821  0.82286881  0.22030149
   0.85152895  0.68595201  0.45685345
   0.60019277  0.61457144  0.39832685
   0.68205224  0.58216150  0.57974352
   0.84287257  0.75861273  0.80670290
   0.61673711  0.85277241  0.48524254
   0.95321456  0.99509633  0.83312134
   0.99780962  0.87294995  0.67781665
   0.74296340  0.96555229  0.71023032
   0.75920990  0.65974543  0.97389429
   0.53295897  0.67175449  0.87458437
   0.76105440  0.80951238  0.61228696
   0.27799765  0.71714174  0.37971435
   0.90021961  0.22946472  0.07479642
   0.91824634  0.39207706  0.40886103
   0.36415711  0.13051640  0.63158544
   0.22951359  0.75390017  0.75419385
   0.16406458  1.11028659  0.17838066
   0.26830517  1.15132889  0.06216260
   0.64870290  0.39776993  0.88363395
   0.79693436  0.57223727  0.58882978
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.782017    0.197655   -0.118072
    -0.000000    9.878766    0.028301
    -0.000000    0.000000   13.969681
   Si   O    H 
    32    64    10
Direct configuration=  2960
   0.18740627  0.21803099 -0.02339963
   0.33911083  0.09899086  0.38697636
   0.15833528  0.45113808  0.11428692
   0.40561715  0.34543484  0.24852452
   0.05993074  0.12846452  0.48600313
   0.42043962  0.13976133  0.84410147
   0.11914017  0.37045309  0.60855763
   0.38062321  0.38638260  0.73021690
   0.14509419  0.69899061  0.00254528
   0.45203230  0.59080329  0.36872749
   0.08215650  0.90064450  0.13640542
   0.32041560  0.83950412  0.26696210
   0.18107481  0.59868572  0.48254957
   0.36383960  0.63114939  0.84749345
   0.09453858  0.86968245  0.58438766
   0.37359374  0.99559160  0.66889225
   0.63765039  0.11907458  1.01472016
   0.81949359  0.12533470  0.33529153
   0.62986079  0.40869923  0.09963486
   0.88452774  0.32668227  0.16008992
   0.61207681  0.17696504  0.48507832
   0.90383890  0.11345333  0.90611847
   0.63077072  0.42359091  0.61138001
   0.76191337  0.37467392  0.81728807
   0.59430820  0.66652629 -0.01987054
   0.93165892  0.60267286  0.36890460
   0.57323808  0.89528776  0.14095140
   0.82585622  0.83801787  0.24572919
   0.68498590  0.70394198  0.48070758
   0.87320786  0.65030806  0.88958561
   0.65886122  0.92315941  0.60404799
   0.88209435  0.90255612  0.75435601
   0.09304797  0.06455872  0.14125136
   0.35145147  0.20012387  0.28515342
   0.18668114  0.38107867  0.00803398
   0.43254142  0.42220575  0.35328478
   0.54547658  0.35531627  0.19090706
   0.29508509  0.42143327  0.18082885
   0.19609463  0.14734537  0.42583624
  -0.07719416  0.17740962  0.42384888
   0.02319631 -0.02323038  0.50660465
   0.47625771  0.25908238  0.76643812
   0.07950572  0.21443456  0.58403339
   0.37097536  0.47493263  0.82761408
   0.48263533  0.45765532  0.65020402
   0.22628328  0.36052507  0.69688654
   0.28698688  0.19860924 -0.11461843
   0.04742771  0.15169973  0.95705047
   0.14301506  0.61322208  0.10423600
   0.38050841  0.68107184  0.27704264
   0.13841807  0.85924997  0.02809819
   0.34238081  0.93590590  0.36392886
   0.41233795  0.89951848  0.18050575
   0.16594281  0.84427078  0.23150283
   0.34317902  0.63980440  0.45345553
   0.09751170  0.61187830  0.38175860
   0.20737262  0.44548210  0.52285600
   0.28747679  0.68117773  0.75127377
   0.12099595  0.71880433  0.54366530
   0.38038624  1.00622278  0.78703144
   0.50404907  0.90285252  0.64107830
   0.24904305  0.92035349  0.61344940
   0.28088243  0.66075025 -0.04988173
   0.02789330  0.66185986  0.92760186
   0.61740816  0.04490872  0.11875770
   0.86828340  0.21819497  0.24664380
   0.64875219  0.28370357  0.03081215
   0.89483584  0.44717449  0.35284715
   0.03583569  0.38667746  0.16770863
   0.78073414  0.45312944  0.14236905
   0.67564965  0.16382000  0.37750339
   0.44382556  0.14155964  0.47214236
   0.69538815  0.07534457  0.55461758
   0.83133519  0.23042362  0.83955005
   0.63702565  0.33639637  0.51578182
   0.86543256  0.49344689  0.85221891
   0.97510403  0.45427976  0.61287108
   0.72010216  0.38423552  0.69934306
   0.78811207  0.06381713  0.98275124
   0.53606090  0.10095019  0.92474749
   0.54766271  0.53177715  0.04156537
   0.88495108  0.69179719  0.27654822
   0.55068022  0.81292645  0.04296053
   0.84755674  0.96401478  0.31989416
   0.92376355  0.87882662  0.15556327
   0.66575171  0.82429968  0.22074074
   0.85210514  0.68512738  0.45827337
   0.60129383  0.61543635  0.39868911
   0.68465804  0.58285841  0.57989135
   0.84454019  0.76062835  0.80742913
   0.61616732  0.85428845  0.48599778
   0.95515344  0.99404883  0.83394981
   0.99769603  0.87423822  0.67568923
   0.74291355  0.96413258  0.71072418
   0.75954954  0.65974733  0.97400446
   0.53310862  0.67225335  0.87360057
   0.75886357  0.81210687  0.61144848
   0.28127440  0.71844173  0.38380068
   0.90472816  0.22639577  0.08357916
   0.91871216  0.39038145  0.41431483
   0.37287228  0.13929969  0.63130478
   0.22352850  0.75451627  0.75639744
   0.15276050  1.11177705  0.17484598
   0.26624035  1.14984797  0.06129022
   0.64588143  0.39722151  0.88407406
   0.78847515  0.57290257  0.58530614
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.778058    0.197175   -0.118670
    -0.000000    9.878098    0.026405
    -0.000000    0.000000   13.970866
   Si   O    H 
    32    64    10
Direct configuration=  2961
   0.18778669  0.21732756 -0.02353640
   0.33746225  0.09970026  0.38761172
   0.15983001  0.45085128  0.11379911
   0.40632127  0.34406757  0.24845463
   0.05960013  0.12800612  0.48690367
   0.42212561  0.13939180  0.84437029
   0.11922759  0.36942860  0.60768916
   0.38156934  0.38722075  0.73041379
   0.14435505  0.69908537  0.00300970
   0.45179618  0.58966825  0.36826412
   0.08327955  0.90094374  0.13617084
   0.32095082  0.83848826  0.26730624
   0.18086493  0.60039990  0.48286189
   0.36411469  0.63150491  0.84721823
   0.09462001  0.87091415  0.58367646
   0.37487216  0.99462543  0.66934957
   0.63668591  0.11975355  1.01434099
   0.81958682  0.12763203  0.33609673
   0.62982480  0.40828293  0.09982308
   0.88479041  0.32589843  0.16018461
   0.61117006  0.17709352  0.48443936
   0.90326512  0.11419416  0.90756916
   0.63088193  0.42198198  0.61108254
   0.76207300  0.37418794  0.81805833
   0.59379307  0.66682013 -0.01923880
   0.93058156  0.60346526  0.36889771
   0.57350722  0.89603531  0.14062725
   0.82657067  0.83685977  0.24604481
   0.68487995  0.70464804  0.48044485
   0.87508642  0.65079603  0.89064080
   0.65989069  0.92295902  0.60359251
   0.88074364  0.90373712  0.75425189
   0.09376216  0.06301725  0.13974166
   0.35191946  0.20191115  0.28620109
   0.18587021  0.38093814  0.00839137
   0.43371018  0.42330303  0.35276319
   0.54466189  0.35647151  0.18967467
   0.29553235  0.42075636  0.18088563
   0.19556188  0.14729556  0.42473315
  -0.07986850  0.17805021  0.42478259
   0.02282750 -0.02273664  0.50562174
   0.47717169  0.25890459  0.76621907
   0.08008913  0.21503927  0.58385717
   0.37249290  0.47487573  0.82716599
   0.48393260  0.45641599  0.65099777
   0.22352712  0.36026584  0.69535355
   0.28694468  0.19716575 -0.11480332
   0.04672783  0.15129644  0.95676434
   0.14232952  0.61258259  0.10392549
   0.37859401  0.68110835  0.27836357
   0.14043218  0.85872023  0.02850000
   0.34220354  0.93558475  0.36291645
   0.41282946  0.89951686  0.17982293
   0.16482561  0.84491062  0.23144191
   0.34238004  0.64160592  0.45112285
   0.09691768  0.61245289  0.38233987
   0.20831947  0.44828938  0.52289419
   0.28748019  0.68103232  0.75091382
   0.12095510  0.72080845  0.54462243
   0.38083215  1.00463427  0.78610971
   0.50324489  0.90209222  0.64147174
   0.24785527  0.92109769  0.61286831
   0.28113334  0.66227314 -0.04993676
   0.02611929  0.66133701  0.92860093
   0.61428228  0.04677120  0.11919560
   0.86954936  0.21744673  0.24628568
   0.64738320  0.28338871  0.02933628
   0.89760717  0.44617282  0.35314457
   0.03493652  0.38661202  0.16692338
   0.77927464  0.45089477  0.14229803
   0.67614335  0.16364919  0.37804254
   0.44235253  0.14148885  0.47256782
   0.69498017  0.07446178  0.55374087
   0.83183933  0.23205802  0.83910364
   0.63647490  0.33447219  0.51762992
   0.86489457  0.49396528  0.85240920
   0.97545107  0.45368451  0.61311147
   0.72104368  0.38396930  0.69896551
   0.78755674  0.06444462  0.98226260
   0.53709344  0.10020637  0.92402810
   0.54602798  0.53280699  0.04319553
   0.88718942  0.69430513  0.27593325
   0.54995863  0.81095354  0.04086287
   0.84989758  0.96275477  0.32078205
   0.92412652  0.88062731  0.15652511
   0.66609262  0.82568915  0.22172511
   0.85218435  0.68529590  0.45871347
   0.60314047  0.61695909  0.39922397
   0.68746346  0.58296346  0.58004870
   0.84634000  0.76225840  0.80859711
   0.61635477  0.85519091  0.48619372
   0.95751056  0.99385021  0.83546590
   0.99865540  0.87469317  0.67350780
   0.74303409  0.96328835  0.71067816
   0.75989275  0.65941168  0.97424687
   0.53258410  0.67349346  0.87229470
   0.75846082  0.80750074  0.60902463
   0.28112911  0.72345061  0.39062326
   0.90713128  0.22374235  0.09080597
   0.91463544  0.39231332  0.41223905
   0.38156157  0.14501770  0.63255633
   0.21242505  0.76141392  0.75791006
   0.15980799  1.12415611  0.17810610
   0.26376807  1.15113405  0.05760918
   0.64460202  0.39487837  0.88320902
   0.77954653  0.56965468  0.58227212
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774419    0.197050   -0.119123
    -0.000000    9.877455    0.024385
    -0.000000    0.000000   13.971784
   Si   O    H 
    32    64    10
Direct configuration=  2962
   0.18915880  0.21680316 -0.02354549
   0.33638537  0.10093632  0.38767190
   0.16211523  0.45098862  0.11346734
   0.40631065  0.34338846  0.24834629
   0.05865557  0.12751427  0.48752338
   0.42380660  0.13890640  0.84442446
   0.11937236  0.36834768  0.60732484
   0.38225539  0.38718074  0.73047643
   0.14400420  0.69935591  0.00291426
   0.45149851  0.58864085  0.36768091
   0.08498807  0.90175690  0.13647476
   0.32138655  0.83775205  0.26776339
   0.18115766  0.60140485  0.48329283
   0.36427809  0.63184569  0.84719226
   0.09483034  0.87175898  0.58297090
   0.37608396  0.99397625  0.66946748
   0.63636393  0.12012294  1.01397049
   0.81983619  0.12945459  0.33692384
   0.62986122  0.40811247  0.09982954
   0.88523454  0.32596931  0.16009466
   0.61034726  0.17760102  0.48415754
   0.90237111  0.11551304  0.90877522
   0.63124239  0.42081094  0.61075117
   0.76248556  0.37365201  0.81922507
   0.59353569  0.66726155 -0.01839179
   0.92948179  0.60407175  0.36895821
   0.57337977  0.89618506  0.14006797
   0.82743111  0.83592985  0.24617826
   0.68429437  0.70562916  0.48059881
   0.87596239  0.65124119  0.89142734
   0.66105215  0.92319428  0.60259196
   0.87990513  0.90416943  0.75420607
   0.09293513  0.06221066  0.13847641
   0.35287250  0.20248638  0.28721599
   0.18446696  0.38019244  0.00866250
   0.43450309  0.42377906  0.35201313
   0.54486466  0.35705718  0.18861876
   0.29532794  0.41998258  0.18138881
   0.19467708  0.14624319  0.42409978
  -0.08274403  0.17852827  0.42537144
   0.02232277 -0.02317413  0.50492670
   0.47764966  0.25844538  0.76564665
   0.08044428  0.21507333  0.58436093
   0.37357901  0.47391902  0.82668090
   0.48387139  0.45604703  0.65194031
   0.22112612  0.35988307  0.69382400
   0.28704421  0.19584203 -0.11460903
   0.04512239  0.15106566  0.95621566
   0.14111967  0.61287861  0.10385335
   0.37702000  0.68145634  0.27981952
   0.14187635  0.85824635  0.02946968
   0.34153467  0.93465023  0.36222523
   0.41357079  0.89992475  0.17927465
   0.16521891  0.84603735  0.23072230
   0.34114750  0.64340537  0.44860361
   0.09610479  0.61261783  0.38292081
   0.20900683  0.45102644  0.52315327
   0.28641184  0.68230865  0.75076660
   0.12130728  0.72310464  0.54558975
   0.38145860  1.00320031  0.78558029
   0.50295379  0.90035190  0.64201936
   0.24719047  0.92114577  0.61231854
   0.28295634  0.66439131 -0.05070474
   0.02407963  0.66134127  0.92885312
   0.61216076  0.04848612  0.11942269
   0.87025540  0.21787368  0.24573899
   0.64570155  0.28275644  0.02802780
   0.89954507  0.44512976  0.35349799
   0.03319523  0.38691707  0.16639334
   0.77823295  0.44784080  0.14160337
   0.67664183  0.16327393  0.37872750
   0.44152365  0.14124208  0.47324090
   0.69379933  0.07328378  0.55337628
   0.83312283  0.23303189  0.83852119
   0.63534613  0.33261996  0.51913328
   0.86466150  0.49406565  0.85251420
   0.97568364  0.45421674  0.61299248
   0.72232890  0.38339473  0.69854025
   0.78707879  0.06522333  0.98210701
   0.53801653  0.09980816  0.92324938
   0.54528138  0.53387441  0.04500087
   0.88867001  0.69567655  0.27589991
   0.54955304  0.80884810  0.03867901
   0.85157623  0.96117436  0.32169569
   0.92363530  0.88147893  0.15720034
   0.66699009  0.82692020  0.22329766
   0.85184177  0.68567689  0.45865175
   0.60591195  0.61867948  0.39936004
   0.69025088  0.58409981  0.57964687
   0.84766853  0.76367964  0.80934622
   0.61658548  0.85562995  0.48632571
   0.95899603  0.99426878  0.83701935
   0.99926026  0.87380643  0.67135584
   0.74265078  0.96348129  0.71102099
   0.76053605  0.65904732  0.97443687
   0.53168116  0.67457292  0.87087152
   0.75895027  0.80254380  0.60520530
   0.28091862  0.72927074  0.40110424
   0.90495876  0.21967765  0.09309045
   0.90861861  0.39285395  0.40860310
   0.38770106  0.14419455  0.63523341
   0.21056895  0.75342658  0.75883127
   0.16132631  1.12742152  0.17788516
   0.26140646  1.15112061  0.05480125
   0.64124283  0.39067814  0.88109253
   0.79444962  0.56541542  0.58276184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.770609    0.196626   -0.119583
    -0.000000    9.876606    0.021688
    -0.000000    0.000000   13.972579
   Si   O    H 
    32    64    10
Direct configuration=  2963
   0.19072285  0.21635547 -0.02383647
   0.33529522  0.10189611  0.38749187
   0.16364489  0.45066836  0.11305491
   0.40600514  0.34350453  0.24801945
   0.05728299  0.12749219  0.48785808
   0.42587360  0.13901377  0.84405613
   0.11893233  0.36776904  0.60654287
   0.38260022  0.38704908  0.73081711
   0.14339214  0.69985874  0.00269988
   0.45183522  0.58769838  0.36656575
   0.08623573  0.90226176  0.13669906
   0.32180603  0.83733747  0.26808320
   0.18152659  0.60202342  0.48336746
   0.36486504  0.63251275  0.84707025
   0.09573146  0.87271863  0.58245047
   0.37693561  0.99387200  0.66917105
   0.63676951  0.12043660  1.01389983
   0.82032574  0.13063834  0.33794039
   0.62957011  0.40799747  0.10016958
   0.88586021  0.32547046  0.16059128
   0.60946303  0.17814768  0.48408340
   0.90187206  0.11635190  0.90921105
   0.63113282  0.41941796  0.61060955
   0.76320472  0.37390548  0.81970492
   0.59310231  0.66788789 -0.01775895
   0.92782514  0.60407956  0.36921578
   0.57294616  0.89569438  0.13975537
   0.82868137  0.83509097  0.24637470
   0.68352476  0.70696933  0.48099909
   0.87583332  0.65153628  0.89225398
   0.66155435  0.92337343  0.60172317
   0.87938063  0.90449595  0.75456040
   0.09405280  0.06220704  0.13774304
   0.35425189  0.20202078  0.28807709
   0.18394767  0.37920307  0.00876734
   0.43468415  0.42424041  0.35157002
   0.54517664  0.35766857  0.18757387
   0.29381695  0.41900243  0.18158008
   0.19323479  0.14477841  0.42321505
  -0.08461476  0.17857219  0.42691212
   0.02112825 -0.02482467  0.50505255
   0.47788286  0.25798366  0.76508647
   0.08086739  0.21478268  0.58476158
   0.37431220  0.47208040  0.82610199
   0.48320692  0.45498603  0.65300967
   0.21922362  0.35848529  0.69275875
   0.28753528  0.19467315 -0.11461060
   0.04428867  0.15165695  0.95536225
   0.13975013  0.61325427  0.10403391
   0.37513032  0.68194286  0.28169025
   0.14314489  0.85762767  0.03130514
   0.33985983  0.93454309  0.36184483
   0.41407909  0.89986336  0.17841377
   0.16538501  0.84718852  0.23009325
   0.33867550  0.64544049  0.44620510
   0.09618161  0.61317208  0.38345910
   0.20994164  0.45331288  0.52316433
   0.28463060  0.68422620  0.75062520
   0.12191931  0.72431794  0.54600346
   0.38294942  1.00309461  0.78471238
   0.50344265  0.89816459  0.64261174
   0.24692599  0.92142042  0.61174121
   0.28528084  0.66605203 -0.05179595
   0.02252150  0.66139815  0.92950346
   0.61038136  0.05044795  0.11951866
   0.87084126  0.21817528  0.24622520
   0.64429796  0.28159072  0.02639061
   0.90093677  0.44492379  0.35327673
   0.03215053  0.38729492  0.16616433
   0.77652005  0.44604309  0.14088160
   0.67626591  0.16389403  0.37894136
   0.44153754  0.14090749  0.47416501
   0.69262080  0.07234052  0.55334257
   0.83461673  0.23435823  0.83811573
   0.63381390  0.33049025  0.52044204
   0.86433443  0.49489702  0.85221274
   0.97643940  0.45389813  0.61270750
   0.72382564  0.38289648  0.69905443
   0.78580037  0.06627192  0.98166473
   0.53889784  0.09890299  0.92270380
   0.54478015  0.53444669  0.04643856
   0.88993974  0.69677887  0.27627356
   0.54919884  0.80679022  0.03648970
   0.85305191  0.95905552  0.32259892
   0.92322569  0.88194933  0.15770044
   0.66766338  0.82856694  0.22495395
   0.85113745  0.68572349  0.45848906
   0.60803220  0.62012166  0.39943595
   0.69267061  0.58444881  0.57916939
   0.84989602  0.76420896  0.80971849
   0.61656412  0.85584913  0.48662002
   0.95958057  0.99498450  0.83867778
   0.99943621  0.87298554  0.66965580
   0.74179153  0.96406711  0.71090987
   0.76050350  0.65859103  0.97481695
   0.53042547  0.67503356  0.86965329
   0.75613203  0.79993069  0.60104899
   0.28424504  0.73867502  0.41376804
   0.89950956  0.21509139  0.08837037
   0.90464181  0.38630077  0.41245777
   0.39507593  0.14011593  0.63655857
   0.21787258  0.73945395  0.75716985
   0.15295499  1.12287288  0.17440328
   0.25996938  1.15116200  0.05140685
   0.63616957  0.38782937  0.87727301
   0.80552918  0.56336205  0.58372571
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.766911    0.196242   -0.120169
    -0.000000    9.875996    0.019492
    -0.000000    0.000000   13.973205
   Si   O    H 
    32    64    10
Direct configuration=  2964
   0.19187039  0.21640871 -0.02412736
   0.33449271  0.10272822  0.38735046
   0.16413419  0.45001737  0.11264472
   0.40596056  0.34424094  0.24767135
   0.05554063  0.12780040  0.48787947
   0.42804829  0.13871026  0.84356954
   0.11819640  0.36748219  0.60554177
   0.38227661  0.38712359  0.73114452
   0.14251511  0.70026054  0.00287607
   0.45203452  0.58578339  0.36552034
   0.08724308  0.90298081  0.13687314
   0.32193155  0.83748873  0.26843606
   0.18127144  0.60214890  0.48319119
   0.36564896  0.63358911  0.84744560
   0.09634617  0.87416494  0.58206885
   0.37779819  0.99385239  0.66805353
   0.63697949  0.12074844  1.01377889
   0.82104347  0.13090045  0.33870134
   0.62929728  0.40776203  0.10026227
   0.88660279  0.32467316  0.16127300
   0.60845385  0.17809111  0.48364538
   0.90079695  0.11697060  0.90919664
   0.63129899  0.41877808  0.61125055
   0.76420065  0.37454292  0.81979583
   0.59242653  0.66813950 -0.01768103
   0.92563495  0.60473805  0.36939818
   0.57225320  0.89516293  0.13990073
   0.83072334  0.83498459  0.24662292
   0.68284908  0.70778969  0.48111421
   0.87540398  0.65143965  0.89284653
   0.66205442  0.92376336  0.60122238
   0.87937156  0.90447870  0.75499637
   0.09430664  0.06268872  0.13729518
   0.35483919  0.20066375  0.28888157
   0.18273740  0.37789617  0.00845453
   0.43390837  0.42498277  0.35126755
   0.54566546  0.35864891  0.18739860
   0.29208111  0.41756539  0.18194883
   0.19131847  0.14286571  0.42294727
  -0.08557308  0.17798679  0.42881197
   0.02087215 -0.02742378  0.50480787
   0.47810542  0.25801528  0.76443380
   0.08118993  0.21484848  0.58467720
   0.37511388  0.47015952  0.82574581
   0.48116919  0.45440238  0.65411854
   0.21912260  0.35726453  0.69272005
   0.28809909  0.19424898 -0.11440699
   0.04372341  0.15295004  0.95447379
   0.13880561  0.61384528  0.10416616
   0.37303966  0.68232768  0.28324777
   0.14358643  0.85663511  0.03321178
   0.33851330  0.93456606  0.36120406
   0.41483844  0.89908789  0.17784316
   0.16483939  0.84728369  0.22952981
   0.33622288  0.64791782  0.44403275
   0.09570906  0.61361864  0.38378137
   0.21185003  0.45497568  0.52323176
   0.28509140  0.68491784  0.75055177
   0.12196029  0.72573044  0.54634508
   0.38538045  1.00259457  0.78422143
   0.50492152  0.89670095  0.64319160
   0.24752452  0.92220744  0.61182474
   0.28798760  0.66793521 -0.05258057
   0.02195042  0.66178769  0.93050957
   0.60915091  0.05254123  0.11937396
   0.87000966  0.21844760  0.24707301
   0.64284561  0.28081981  0.02503102
   0.90156747  0.44388580  0.35313047
   0.03143676  0.38816093  0.16573381
   0.77548759  0.44379011  0.13970877
   0.67503919  0.16451219  0.37894077
   0.44276797  0.14059915  0.47458838
   0.69109109  0.07175262  0.55355652
   0.83678550  0.23460549  0.83783723
   0.63282062  0.32834117  0.52205492
   0.86426692  0.49550543  0.85109325
   0.97720582  0.45360159  0.61199738
   0.72620460  0.38355631  0.70001817
   0.78438170  0.06727114  0.98126366
   0.54006206  0.09743774  0.92270075
   0.54496421  0.53466750  0.04761934
   0.89118757  0.69703583  0.27606437
   0.54850366  0.80454358  0.03447397
   0.85376240  0.95822968  0.32340985
   0.92305420  0.88247437  0.15828900
   0.66780500  0.83056322  0.22668998
   0.85017223  0.68588730  0.45809276
   0.60950266  0.62111070  0.39945046
   0.69566607  0.58337859  0.57831257
   0.85119060  0.76463087  0.81027341
   0.61685554  0.85564260  0.48689564
   0.95887349  0.99613338  0.84014729
   0.99847366  0.87283163  0.66831067
   0.74101817  0.96431876  0.71148337
   0.75993158  0.65853993  0.97520003
   0.52793321  0.67469591  0.86904572
   0.75371020  0.79816715  0.59825544
   0.29201948  0.73859140  0.42872177
   0.89063632  0.21343594  0.08022573
   0.89922688  0.38363990  0.41126059
   0.39929606  0.13204340  0.63749750
   0.19571609  0.75202278  0.75657203
   0.14293032  1.11498231  0.16875939
   0.26367401  1.14884780  0.05046260
   0.62932387  0.38651653  0.87196155
   0.81102861  0.56592317  0.58608179
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.763578    0.196442   -0.120570
    -0.000000    9.875477    0.017704
    -0.000000    0.000000   13.973702
   Si   O    H 
    32    64    10
Direct configuration=  2965
   0.19223728  0.21644949 -0.02435864
   0.33469932  0.10341639  0.38688632
   0.16467263  0.44963348  0.11274403
   0.40643463  0.34517920  0.24754666
   0.05382061  0.12831821  0.48783425
   0.43007369  0.13920784  0.84291237
   0.11785061  0.36787621  0.60458892
   0.38153525  0.38714671  0.73139555
   0.14089414  0.70048645  0.00316841
   0.45261045  0.58497620  0.36477122
   0.08799145  0.90416202  0.13720205
   0.32259864  0.83820491  0.26839140
   0.18146323  0.60247613  0.48324795
   0.36653852  0.63468772  0.84798052
   0.09743875  0.87559345  0.58205522
   0.37804152  0.99327408  0.66687949
   0.63745232  0.12162445  1.01336265
   0.82248767  0.13089577  0.33958033
   0.62854066  0.40784719  0.10000445
   0.88706583  0.32295717  0.16214980
   0.60790950  0.17802329  0.48309414
   0.90017529  0.11721580  0.90872572
   0.63183556  0.41879954  0.61202664
   0.76417815  0.37559108  0.81944548
   0.59194987  0.66856360 -0.01747226
   0.92365823  0.60531230  0.36963420
   0.57050336  0.89469880  0.13999362
   0.83284928  0.83505609  0.24680593
   0.68293921  0.70850862  0.48132184
   0.87505968  0.65122202  0.89297040
   0.66212942  0.92423001  0.60089987
   0.87975422  0.90465215  0.75574478
   0.09415394  0.06195257  0.13619745
   0.35546591  0.19927741  0.28993160
   0.18213819  0.37616658  0.00794294
   0.43327751  0.42564610  0.35069412
   0.54679350  0.35974819  0.18819550
   0.29016278  0.41550672  0.18197920
   0.18832287  0.14108897  0.42274499
  -0.08552720  0.17774363  0.43165587
   0.02077386 -0.02957270  0.50448781
   0.47789890  0.25745569  0.76423574
   0.08125800  0.21419067  0.58406046
   0.37587490  0.46889392  0.82558715
   0.47911409  0.45431987  0.65486778
   0.22039944  0.35651039  0.69316367
   0.28828053  0.19395070 -0.11482445
   0.04388826  0.15434412  0.95364500
   0.13813591  0.61447292  0.10382078
   0.37088211  0.68264343  0.28515873
   0.14434290  0.85582140  0.03464859
   0.33783712  0.93413884  0.36060623
   0.41630275  0.89863839  0.17800748
   0.16402810  0.84579370  0.22913762
   0.33331966  0.64930911  0.44288578
   0.09462326  0.61403195  0.38373371
   0.21308136  0.45635558  0.52338228
   0.28532139  0.68678413  0.75059652
   0.12218125  0.72651090  0.54668087
   0.38806057  1.00307121  0.78415349
   0.50681398  0.89572438  0.64320222
   0.24828629  0.92303614  0.61184389
   0.29080515  0.66918401 -0.05350649
   0.02112087  0.66256737  0.93104370
   0.60875715  0.05378199  0.11894078
   0.86872516  0.21819286  0.24805071
   0.64094357  0.28012468  0.02383729
   0.90179494  0.44304975  0.35324678
   0.03123157  0.38811218  0.16491122
   0.77470244  0.44234179  0.13838564
   0.67354085  0.16547404  0.37901255
   0.44378789  0.14033948  0.47447299
   0.68934375  0.07153287  0.55400337
   0.83834961  0.23377352  0.83750286
   0.63168084  0.32618960  0.52311977
   0.86371116  0.49586686  0.85006447
   0.97750362  0.45322898  0.61149861
   0.72863399  0.38399539  0.70107211
   0.78358386  0.06778043  0.98087637
   0.54046870  0.09656012  0.92330759
   0.54535185  0.53514829  0.04904751
   0.89328485  0.69574127  0.27658987
   0.54757869  0.80238626  0.03301415
   0.85456503  0.95835319  0.32396793
   0.92249623  0.88350125  0.15837935
   0.66773541  0.83195905  0.22826627
   0.84930131  0.68662541  0.45777047
   0.61082537  0.62143176  0.39889459
   0.69905124  0.58133458  0.57789091
   0.85201568  0.76482220  0.81089651
   0.61689048  0.85532469  0.48671154
   0.95778024  0.99713191  0.84085040
   0.99720814  0.87246941  0.66809762
   0.74039474  0.96517988  0.71211239
   0.75933376  0.65837074  0.97590917
   0.52582680  0.67440756  0.86875971
   0.75203167  0.79956692  0.59606743
   0.30608180  0.74725176  0.44154714
   0.87919500  0.22252249  0.07304047
   0.89129184  0.38179605  0.40618861
   0.39999613  0.12372404  0.63771077
   0.18893984  0.75269944  0.75595162
   0.15623810  1.12958572  0.17951930
   0.26812785  1.14871228  0.05022684
   0.62685070  0.38466722  0.86458251
   0.80454272  0.57287195  0.58589253
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.760185    0.196675   -0.120847
    -0.000000    9.874962    0.016212
    -0.000000    0.000000   13.974351
   Si   O    H 
    32    64    10
Direct configuration=  2966
   0.19241450  0.21625727 -0.02447514
   0.33495418  0.10352483  0.38685037
   0.16514251  0.44942549  0.11279035
   0.40754544  0.34600912  0.24784413
   0.05221481  0.12883996  0.48786040
   0.43170048  0.13947922  0.84213614
   0.11656703  0.36862817  0.60379699
   0.38070532  0.38724426  0.73164171
   0.14043156  0.70050530  0.00351662
   0.45305571  0.58465766  0.36377492
   0.08859705  0.90519514  0.13766173
   0.32254920  0.83896553  0.26822689
   0.18113077  0.60322992  0.48341780
   0.36716875  0.63572960  0.84862596
   0.09842857  0.87706179  0.58219607
   0.37885067  0.99229835  0.66594639
   0.63750445  0.12288980  1.01280852
   0.82384777  0.13044291  0.34015404
   0.62765704  0.40797377  0.09964167
   0.88721505  0.32126237  0.16271690
   0.60698949  0.17792810  0.48225495
   0.90008617  0.11693997  0.90812045
   0.63137132  0.41953313  0.61257619
   0.76424868  0.37621583  0.81934882
   0.59196592  0.66854712 -0.01769831
   0.92181913  0.60606878  0.37021180
   0.56915344  0.89452123  0.13973667
   0.83463734  0.83539757  0.24684043
   0.68356080  0.70855761  0.48140690
   0.87428278  0.65076168  0.89270970
   0.66157063  0.92417657  0.60081454
   0.88014680  0.90490841  0.75654453
   0.09509238  0.06264368  0.13514918
   0.35616946  0.19820950  0.29110435
   0.18206377  0.37436312  0.00747078
   0.43308073  0.42655002  0.34982822
   0.54745258  0.36009888  0.18924455
   0.28897936  0.41409625  0.18249872
   0.18546444  0.13977143  0.42262731
  -0.08541482  0.17778839  0.43415553
   0.02080789 -0.03124041  0.50373399
   0.47812695  0.25679221  0.76363244
   0.08147141  0.21323575  0.58356648
   0.37682963  0.46873898  0.82611631
   0.47709637  0.45438555  0.65486150
   0.22267811  0.35577851  0.69385069
   0.28794607  0.19469126 -0.11521260
   0.04410585  0.15552687  0.95331498
   0.13830411  0.61455404  0.10347163
   0.37001319  0.68223783  0.28687137
   0.14576373  0.85536150  0.03583231
   0.33665295  0.93451406  0.36052792
   0.41737381  0.89847892  0.17880758
   0.16395454  0.84560343  0.22907637
   0.33078104  0.65086681  0.44198512
   0.09339365  0.61480491  0.38363537
   0.21266018  0.45785988  0.52397673
   0.28517963  0.68882733  0.75069248
   0.12307915  0.72606273  0.54683265
   0.38910354  1.00387213  0.78355826
   0.50852632  0.89464799  0.64271019
   0.24946180  0.92411575  0.61214821
   0.29393436  0.67002152 -0.05419723
   0.02086106  0.66385116  0.93145828
   0.60746348  0.05500961  0.11803754
   0.86777559  0.21820044  0.24897790
   0.63899085  0.27970610  0.02298316
   0.90195177  0.44303625  0.35325952
   0.03178807  0.38845795  0.16435549
   0.77521236  0.44116017  0.13765990
   0.67175464  0.16668940  0.37861710
   0.44502829  0.14065108  0.47405868
   0.68830690  0.07164182  0.55440785
   0.83923434  0.23353431  0.83716753
   0.63091056  0.32428582  0.52416699
   0.86365684  0.49717981  0.84987946
   0.97770772  0.45218013  0.61028547
   0.73128147  0.38400328  0.70234814
   0.78276949  0.06898759  0.98023976
   0.54087017  0.09550083  0.92337408
   0.54584052  0.53607048  0.05091678
   0.89506767  0.69484842  0.27677406
   0.54772173  0.80079903  0.03206538
   0.85553232  0.96038711  0.32467835
   0.92219457  0.88390423  0.15864003
   0.66758033  0.83270030  0.22918521
   0.84809935  0.68737857  0.45790586
   0.61193303  0.62116218  0.39806044
   0.70199205  0.57896982  0.57726564
   0.85246758  0.76516155  0.81173240
   0.61722088  0.85512813  0.48579510
   0.95604417  0.99828648  0.84106058
   0.99554637  0.87187427  0.66861299
   0.73970282  0.96564576  0.71288507
   0.75847612  0.65895460  0.97695276
   0.52414465  0.67500389  0.86811067
   0.75097163  0.80297915  0.59660409
   0.32289442  0.75557551  0.45130346
   0.87160518  0.23478783  0.07082562
   0.88440735  0.37785201  0.40329502
   0.39998244  0.12179618  0.63644359
   0.19625789  0.74164099  0.75808515
   0.16018185  1.13286479  0.18214906
   0.27259399  1.14747210  0.05065294
   0.62639427  0.38276966  0.85851907
   0.79824412  0.57859807  0.58636545
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757030    0.196869   -0.120972
    -0.000000    9.874492    0.014730
    -0.000000    0.000000   13.975419
   Si   O    H 
    32    64    10
Direct configuration=  2967
   0.19260714  0.21595395 -0.02468971
   0.33540608  0.10350562  0.38640157
   0.16588960  0.44962126  0.11292031
   0.40904804  0.34696299  0.24793260
   0.04996738  0.12947160  0.48787810
   0.43304181  0.13958234  0.84080965
   0.11601123  0.36934241  0.60311635
   0.38004747  0.38713209  0.73179547
   0.14035510  0.70022993  0.00361355
   0.45357077  0.58462330  0.36294799
   0.08865335  0.90626315  0.13789259
   0.32243434  0.83984450  0.26777064
   0.18049586  0.60332002  0.48346482
   0.36723438  0.63649284  0.84890925
   0.09958516  0.87829603  0.58229860
   0.37972127  0.99158311  0.66556484
   0.63726683  0.12341419  1.01220873
   0.82567983  0.12973591  0.34083727
   0.62699088  0.40812623  0.09919558
   0.88770182  0.31968235  0.16343552
   0.60595913  0.17722359  0.48164875
   0.89986993  0.11637778  0.90781350
   0.63098956  0.42028613  0.61375568
   0.76463612  0.37663503  0.81909888
   0.59147954  0.66774295 -0.01857253
   0.92061891  0.60690653  0.37074819
   0.56833665  0.89427469  0.13957474
   0.83599116  0.83570674  0.24668024
   0.68432440  0.70877972  0.48182558
   0.87315775  0.64948184  0.89203720
   0.66168588  0.92400545  0.60075643
   0.88077268  0.90497113  0.75718120
   0.09651765  0.06493439  0.13486026
   0.35716507  0.19642399  0.29151164
   0.18226025  0.37260026  0.00745959
   0.43245251  0.42740708  0.34987870
   0.54774371  0.36023653  0.19107906
   0.28837870  0.41333550  0.18364954
   0.18248980  0.13825091  0.42214994
  -0.08604853  0.17763036  0.43611730
   0.02109352 -0.03219517  0.50293767
   0.47873323  0.25575600  0.76351963
   0.08116181  0.21235756  0.58327590
   0.37801793  0.46900897  0.82698878
   0.47595742  0.45434569  0.65462467
   0.22442194  0.35500145  0.69492290
   0.28705910  0.19593171 -0.11503479
   0.04392815  0.15630228  0.95318299
   0.13826466  0.61383807  0.10378977
   0.36926585  0.68228938  0.28887875
   0.14712883  0.85530799  0.03683128
   0.33619972  0.93520645  0.36036806
   0.41745246  0.89830448  0.17961086
   0.16379070  0.84480505  0.22930979
   0.32917046  0.65274887  0.44107129
   0.09275691  0.61416419  0.38367206
   0.21165722  0.45912593  0.52477731
   0.28486271  0.69082177  0.75136350
   0.12420378  0.72559940  0.54631675
   0.38984244  1.00481696  0.78307182
   0.51046471  0.89342534  0.64204102
   0.25033438  0.92557156  0.61277617
   0.29562245  0.67094438 -0.05408326
   0.02081412  0.66530519  0.93158220
   0.60543169  0.05525890  0.11696529
   0.86716465  0.21891202  0.25026021
   0.63703602  0.27954207  0.02212800
   0.90246380  0.44338090  0.35335782
   0.03228860  0.38919263  0.16361518
   0.77574496  0.43912009  0.13731409
   0.66927004  0.16769614  0.37785269
   0.44625612  0.13988172  0.47327402
   0.68800314  0.07240822  0.55433998
   0.84024583  0.23370451  0.83675765
   0.62993571  0.32260485  0.52462644
   0.86387692  0.49865370  0.84957083
   0.97789685  0.45164150  0.60900847
   0.73479129  0.38389981  0.70322843
   0.78219485  0.06940788  0.97994350
   0.54226027  0.09405296  0.92322868
   0.54701051  0.53707133  0.05261219
   0.89691789  0.69461515  0.27692909
   0.54752267  0.80019987  0.03142772
   0.85601793  0.96267124  0.32524690
   0.92256869  0.88345999  0.15928453
   0.66694228  0.83371281  0.23010300
   0.84763851  0.68768185  0.45788986
   0.61218022  0.61953323  0.39731644
   0.70346586  0.57601924  0.57668061
   0.85287014  0.76521662  0.81268236
   0.61644091  0.85498161  0.48485212
   0.95435084  0.99862349  0.84044406
   0.99406124  0.87146347  0.66967680
   0.73926054  0.96597997  0.71320105
   0.75850765  0.65914843  0.97762707
   0.52322653  0.67654980  0.86824660
   0.75200102  0.80527022  0.59671091
   0.34088941  0.76111855  0.46038984
   0.86844580  0.24723031  0.07382340
   0.88089400  0.37427652  0.39883053
   0.39875448  0.13000895  0.63290482
   0.21157026  0.73237138  0.75967370
   0.15556688  1.12269399  0.17944471
   0.27719695  1.14788337  0.04988073
   0.62360076  0.37884117  0.85346001
   0.80635331  0.58366095  0.58903224
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.753921    0.197064   -0.120787
    -0.000000    9.873501    0.013445
    -0.000000    0.000000   13.976641
   Si   O    H 
    32    64    10
Direct configuration=  2968
   0.19236418  0.21528677 -0.02519014
   0.33586793  0.10327712  0.38603193
   0.16603081  0.44959400  0.11300391
   0.41060324  0.34739409  0.24797272
   0.04780309  0.13000552  0.48823440
   0.43407576  0.13944406  0.83976369
   0.11530128  0.36970013  0.60260862
   0.37934113  0.38660268  0.73190729
   0.14103107  0.69979058  0.00350659
   0.45399946  0.58512402  0.36201659
   0.08827570  0.90759948  0.13833557
   0.32239861  0.84056881  0.26706688
   0.17964237  0.60398625  0.48332667
   0.36731339  0.63692480  0.84901684
   0.10043852  0.87912516  0.58226282
   0.38079016  0.99084860  0.66512106
   0.63684387  0.12381250  1.01179530
   0.82755120  0.12980504  0.34144391
   0.62614280  0.40798313  0.09880829
   0.88874824  0.31848892  0.16385255
   0.60455612  0.17655355  0.48137663
   0.89997421  0.11585691  0.90769263
   0.63056179  0.42116375  0.61517451
   0.76529594  0.37647631  0.81898473
   0.59106712  0.66672789 -0.01940954
   0.91904055  0.60822778  0.37131255
   0.56757242  0.89375786  0.13945534
   0.83716380  0.83673786  0.24625435
   0.68550431  0.70943622  0.48182790
   0.87113636  0.64798497  0.89184116
   0.66220538  0.92382582  0.60093418
   0.88166949  0.90473215  0.75736992
   0.09781413  0.06702275  0.13513910
   0.35794334  0.19511156  0.29140910
   0.18237594  0.37088741  0.00713335
   0.43258973  0.42881245  0.34962200
   0.54758795  0.36037901  0.19336592
   0.28741327  0.41238075  0.18535150
   0.17996133  0.13685992  0.42117960
  -0.08645768  0.17835095  0.43782139
   0.02135266 -0.03331502  0.50238874
   0.47906590  0.25378891  0.76333305
   0.08054106  0.21220671  0.58287886
   0.37894175  0.47048561  0.82811009
   0.47579931  0.45354793  0.65407282
   0.22631659  0.35409279  0.69642510
   0.28597244  0.19673950 -0.11519771
   0.04388235  0.15697772  0.95301937
   0.13833649  0.61318862  0.10413625
   0.36893891  0.68168694  0.29065057
   0.14844210  0.85502672  0.03760516
   0.33520293  0.93651578  0.36062010
   0.41715758  0.89756545  0.18018876
   0.16412289  0.84336514  0.22968962
   0.32761597  0.65496493  0.44068538
   0.09191792  0.61321973  0.38412250
   0.21142550  0.45989578  0.52539404
   0.28617303  0.69187099  0.75155096
   0.12560213  0.72503758  0.54610279
   0.39038115  1.00512732  0.78217188
   0.51207306  0.89165559  0.64139564
   0.25054994  0.92675915  0.61367214
   0.29702114  0.67130534 -0.05345544
   0.02172126  0.66681744  0.93205183
   0.60394275  0.05478120  0.11570710
   0.86628266  0.21889806  0.25134252
   0.63592206  0.27992904  0.02162353
   0.90235036  0.44389270  0.35304911
   0.03272569  0.38998379  0.16409354
   0.77599345  0.43856425  0.13685221
   0.66685811  0.16902568  0.37662163
   0.44788135  0.13849680  0.47349280
   0.68771078  0.07312345  0.55448106
   0.84184136  0.23323867  0.83631708
   0.62978090  0.32178987  0.52507404
   0.86434978  0.50001724  0.84896593
   0.97878363  0.45246070  0.60803123
   0.73793309  0.38389617  0.70405974
   0.78286517  0.06999940  0.97905971
   0.54307319  0.09254495  0.92270457
   0.54848394  0.53788102  0.05413274
   0.89788649  0.69429398  0.27727697
   0.54721606  0.80061102  0.03135365
   0.85568045  0.96517513  0.32525181
   0.92341757  0.88251045  0.15904730
   0.66659055  0.83464437  0.23082699
   0.84675108  0.68715793  0.45734667
   0.61187901  0.61781897  0.39686303
   0.70402748  0.57355088  0.57649664
   0.85287867  0.76448396  0.81327276
   0.61612655  0.85524894  0.48362925
   0.95301970  0.99862958  0.83903783
   0.99261528  0.87115203  0.67112076
   0.73934754  0.96667921  0.71334301
   0.75882546  0.65931281  0.97798164
   0.52303845  0.67714957  0.86886168
   0.75525488  0.80530789  0.59389426
   0.35653230  0.75415264  0.46764716
   0.86759733  0.25668775  0.07813046
   0.87921619  0.37100299  0.39757371
   0.39746263  0.13592476  0.62885522
   0.19058569  0.74641740  0.76180192
   0.14599365  1.10596495  0.17468240
   0.28181791  1.14618846  0.04875748
   0.62215183  0.37772363  0.84920582
   0.81228373  0.58428725  0.59346953
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.750764    0.196804   -0.121252
    -0.000000    9.872486    0.012612
    -0.000000    0.000000   13.978059
   Si   O    H 
    32    64    10
Direct configuration=  2969
   0.19275693  0.21471978 -0.02565114
   0.33607356  0.10299122  0.38567024
   0.16547013  0.44981596  0.11302856
   0.41104010  0.34743595  0.24834826
   0.04561002  0.13025086  0.48870054
   0.43459862  0.13951599  0.83868973
   0.11465604  0.36988006  0.60212146
   0.37882917  0.38650414  0.73229971
   0.14211580  0.69884981  0.00365693
   0.45441475  0.58550398  0.36164154
   0.08710853  0.90859124  0.13899462
   0.32245600  0.84070749  0.26658914
   0.17923007  0.60424433  0.48283425
   0.36724370  0.63648061  0.84921489
   0.10113830  0.87996483  0.58249984
   0.38234548  0.99021259  0.66445139
   0.63660071  0.12419545  1.01175374
   0.82883915  0.12970024  0.34162947
   0.62601835  0.40757436  0.09855098
   0.89017314  0.31806224  0.16412290
   0.60405179  0.17563032  0.48136047
   0.90026148  0.11521005  0.90759155
   0.63023858  0.42240404  0.61602854
   0.76625382  0.37662758  0.81917976
   0.59132061  0.66580921 -0.01991535
   0.91833608  0.60884617  0.37217864
   0.56746244  0.89266270  0.13939707
   0.83791519  0.83800619  0.24588387
   0.68660316  0.70994039  0.48175063
   0.86919459  0.64638276  0.89138930
   0.66318795  0.92393107  0.60066279
   0.88236911  0.90434939  0.75756771
   0.09778977  0.06858395  0.13426881
   0.35893503  0.19386504  0.29066869
   0.18309064  0.37015200  0.00678945
   0.43191724  0.43000318  0.34956102
   0.54776647  0.36069439  0.19588105
   0.28737958  0.41113822  0.18711663
   0.17775935  0.13585217  0.41993797
  -0.08821668  0.17961246  0.43880795
   0.02176888 -0.03403762  0.50189281
   0.47975369  0.25224896  0.76317491
   0.08113769  0.21150895  0.58236216
   0.37966372  0.47321785  0.82919255
   0.47655055  0.45319748  0.65319291
   0.22783082  0.35320552  0.69746839
   0.28562909  0.19718844 -0.11554134
   0.04342358  0.15773297  0.95296471
   0.13848880  0.61234234  0.10437729
   0.36828659  0.68106452  0.29153192
   0.14949883  0.85494183  0.03861989
   0.33406670  0.93782106  0.36102194
   0.41716236  0.89653586  0.18080631
   0.16432568  0.84194326  0.23062219
   0.32703144  0.65802422  0.44050864
   0.09096377  0.61216780  0.38479508
   0.21087605  0.46055672  0.52617062
   0.28618840  0.69356940  0.75186394
   0.12673975  0.72518014  0.54675441
   0.39100482  1.00522681  0.78103190
   0.51337924  0.88979822  0.64098189
   0.25035571  0.92820294  0.61502810
   0.29716750  0.67125094 -0.05267181
   0.02275110  0.66846732  0.93237855
   0.60313833  0.05349943  0.11417336
   0.86540881  0.21958771  0.25268080
   0.63434434  0.28127176  0.02157212
   0.90194766  0.44470536  0.35241661
   0.03317087  0.39026980  0.16471085
   0.77641259  0.43822024  0.13631937
   0.66486743  0.16950008  0.37494880
   0.44925798  0.13668504  0.47351242
   0.68698169  0.07444414  0.55431860
   0.84336381  0.23298630  0.83584277
   0.63005696  0.32177316  0.52525091
   0.86461518  0.50143593  0.84747655
   0.97959955  0.45290611  0.60691873
   0.74017765  0.38361209  0.70419321
   0.78446735  0.07128205  0.97789824
   0.54359369  0.09130690  0.92156056
   0.54911548  0.53870681  0.05532534
   0.89813084  0.69424481  0.27737899
   0.54747966  0.80158058  0.03260146
   0.85530923  0.96767437  0.32565141
   0.92376791  0.88106843  0.15834422
   0.66667105  0.83520887  0.23120576
   0.84597226  0.68674671  0.45664119
   0.61077089  0.61715811  0.39647423
   0.70531116  0.57087373  0.57704029
   0.85204184  0.76363127  0.81391272
   0.61611970  0.85496381  0.48192706
   0.95099840  0.99796802  0.83767426
   0.99079571  0.87064105  0.67284628
   0.73919388  0.96768906  0.71341730
   0.75921956  0.65990839  0.97784107
   0.52441780  0.67802382  0.86956101
   0.75941003  0.80655361  0.59236880
   0.36702963  0.73992327  0.47022783
   0.86954668  0.25852921  0.07751728
   0.87944487  0.36801078  0.39546406
   0.39579759  0.13722735  0.62416506
   0.18528448  0.75137041  0.76030681
   0.16261987  1.11178774  0.18795308
   0.28524870  1.14495590  0.04958667
   0.62354259  0.37632153  0.84806763
   0.80989210  0.58135696  0.59464255
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.747797    0.196864   -0.121249
    -0.000000    9.871897    0.011717
    -0.000000    0.000000   13.979216
   Si   O    H 
    32    64    10
Direct configuration=  2970
   0.19302040  0.21333052 -0.02589930
   0.33618814  0.10199493  0.38525490
   0.16539637  0.44985467  0.11344834
   0.41110667  0.34810160  0.24903347
   0.04390402  0.12991185  0.48925012
   0.43519897  0.13907207  0.83756840
   0.11454092  0.37005936  0.60181026
   0.37831291  0.38679458  0.73243418
   0.14412574  0.69799482  0.00408894
   0.45492883  0.58558548  0.36153806
   0.08594287  0.90886872  0.13976343
   0.32260138  0.84077679  0.26627112
   0.17839117  0.60447384  0.48234197
   0.36774284  0.63593379  0.84945666
   0.10161777  0.88053873  0.58250373
   0.38453812  0.98978518  0.66403219
   0.63690161  0.12421777  1.01165751
   0.82958892  0.12951043  0.34170859
   0.62643812  0.40678876  0.09827338
   0.89139883  0.31829051  0.16432214
   0.60397859  0.17421510  0.48124869
   0.89971211  0.11452070  0.90749960
   0.63032336  0.42384205  0.61727531
   0.76637615  0.37739340  0.81915768
   0.59136119  0.66508809 -0.02047751
   0.91815134  0.60833347  0.37286931
   0.56711450  0.89163660  0.13966875
   0.83813340  0.83943939  0.24594202
   0.68760527  0.70985872  0.48182081
   0.86707840  0.64517363  0.89071647
   0.66415472  0.92476045  0.60007087
   0.88289997  0.90420242  0.75746396
   0.09796591  0.07040793  0.13435698
   0.36036724  0.19297274  0.29026474
   0.18329616  0.37069954  0.00676609
   0.43121107  0.43146099  0.34980156
   0.54844858  0.36129913  0.19742744
   0.28768674  0.41082855  0.18849513
   0.17686591  0.13557401  0.41822150
  -0.08987881  0.18094211  0.43975314
   0.02230456 -0.03456503  0.50166514
   0.47996460  0.25174217  0.76270855
   0.08253976  0.21107614  0.58298630
   0.37962220  0.47613340  0.83037601
   0.47735405  0.45263002  0.65175080
   0.22927748  0.35164207  0.69899917
   0.28565100  0.19727151 -0.11581764
   0.04242393  0.15819317  0.95362236
   0.13811373  0.61193069  0.10444377
   0.36830214  0.68094699  0.29187659
   0.15009038  0.85485491  0.03924646
   0.33366829  0.93961733  0.36083867
   0.41677050  0.89586117  0.18114698
   0.16421644  0.84047736  0.23189125
   0.32719112  0.66051852  0.44047649
   0.08999031  0.61156362  0.38564013
   0.20966522  0.46120060  0.52653491
   0.28508889  0.69462776  0.75203949
   0.12739980  0.72560740  0.54757015
   0.39084481  1.00563159  0.78018904
   0.51370360  0.88803379  0.63988310
   0.24944379  0.93048454  0.61622244
   0.29671849  0.67199042 -0.05182534
   0.02351791  0.66995562  0.93306310
   0.60122784  0.05186568  0.11294299
   0.86379711  0.21946995  0.25413732
   0.63164533  0.28355367  0.02193986
   0.90155787  0.44543572  0.35206649
   0.03369273  0.39073377  0.16521021
   0.77656803  0.43900088  0.13563290
   0.66371658  0.16961437  0.37299299
   0.44918217  0.13475272  0.47278337
   0.68573364  0.07519984  0.55387941
   0.84397627  0.23287268  0.83506037
   0.63066365  0.32235043  0.52532254
   0.86430794  0.50268965  0.84573691
   0.97986392  0.45343082  0.60645213
   0.74173823  0.38332577  0.70311476
   0.78614896  0.07277369  0.97709284
   0.54347177  0.08923674  0.92084130
   0.54919290  0.53958777  0.05658018
   0.89812194  0.69458244  0.27781450
   0.54861080  0.80405950  0.03456835
   0.85505559  0.96965755  0.32573981
   0.92396856  0.88001685  0.15746038
   0.66720256  0.83517862  0.23135350
   0.84502050  0.68642994  0.45612557
   0.60965294  0.61674362  0.39585319
   0.70668076  0.56912035  0.57772421
   0.85151315  0.76368772  0.81411010
   0.61587418  0.85448465  0.47996797
   0.94958224  0.99681739  0.83591711
   0.98885891  0.86986196  0.67407449
   0.73999641  0.96869950  0.71310457
   0.75905043  0.66083827  0.97749732
   0.52608486  0.67835831  0.87069967
   0.76301817  0.80545614  0.59296792
   0.37836701  0.73031588  0.47291700
   0.87170158  0.25118177  0.07370141
   0.88159893  0.36735458  0.39250037
   0.39308243  0.13200940  0.62318100
   0.19998205  0.74878083  0.75731582
   0.16999160  1.11169031  0.19365211
   0.28425037  1.14480661  0.04764441
   0.62381759  0.37321797  0.85145135
   0.80037782  0.57978570  0.59304764
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.745130    0.196607   -0.121795
    -0.000000    9.871245    0.010431
    -0.000000    0.000000   13.980317
   Si   O    H 
    32    64    10
Direct configuration=  2971
   0.19293257  0.21221133 -0.02579925
   0.33626539  0.10092598  0.38504784
   0.16535975  0.45006324  0.11403310
   0.41098990  0.34830980  0.25023375
   0.04260216  0.12990415  0.48973829
   0.43519335  0.13885440  0.83673099
   0.11404959  0.37034357  0.60154682
   0.37804883  0.38719436  0.73288602
   0.14685423  0.69719281  0.00496950
   0.45510588  0.58570339  0.36113621
   0.08458400  0.90904203  0.14045027
   0.32329962  0.84081045  0.26619243
   0.17785487  0.60481454  0.48183865
   0.36757905  0.63584282  0.84941471
   0.10170110  0.88162873  0.58296517
   0.38638416  0.98958112  0.66368501
   0.63738220  0.12415905  1.01159761
   0.82923392  0.12927540  0.34169011
   0.62636509  0.40605299  0.09799927
   0.89279639  0.31855669  0.16402548
   0.60420405  0.17273080  0.48102420
   0.89906962  0.11384495  0.90697813
   0.63170636  0.42455235  0.61836949
   0.76667885  0.37773391  0.81914155
   0.59154037  0.66424321 -0.02083190
   0.91865085  0.60736909  0.37339823
   0.56695100  0.89094663  0.13956409
   0.83798665  0.84113454  0.24630229
   0.68806192  0.70931796  0.48204716
   0.86574075  0.64485030  0.89037157
   0.66563470  0.92571935  0.59951152
   0.88329429  0.90378389  0.75725390
   0.09912293  0.07355046  0.13526236
   0.36232193  0.19194895  0.28953601
   0.18197993  0.37230006  0.00690879
   0.42988734  0.43254632  0.34983540
   0.54931961  0.36173896  0.19825774
   0.28766390  0.41066815  0.18957732
   0.17630731  0.13560009  0.41652896
  -0.09229356  0.18203263  0.44076253
   0.02324237 -0.03519438  0.50138290
   0.47994999  0.25118865  0.76255268
   0.08377332  0.21095796  0.58347949
   0.37954537  0.47931982  0.83130641
   0.47806964  0.45260921  0.65083208
   0.22970896  0.34988563  0.70019618
   0.28632172  0.19711724 -0.11584787
   0.04076964  0.15929493  0.95408255
   0.13767569  0.61069578  0.10442420
   0.36852125  0.68172659  0.29145275
   0.14935827  0.85454204  0.03959418
   0.33332991  0.94178461  0.36098561
   0.41620994  0.89549501  0.18182003
   0.16384698  0.83895353  0.23347708
   0.32806712  0.66344681  0.44019012
   0.08819282  0.61114790  0.38681148
   0.20941618  0.46138152  0.52747171
   0.28489700  0.69551302  0.75201343
   0.12962043  0.72593047  0.54831721
   0.39046684  1.00705443  0.77972749
   0.51368719  0.88649462  0.63914960
   0.24781361  0.93254611  0.61712118
   0.29612131  0.67262072 -0.05104045
   0.02417256  0.67019859  0.93362975
   0.59957872  0.05021955  0.11135102
   0.86254759  0.22062689  0.25527631
   0.62891946  0.28552980  0.02202764
   0.90195060  0.44635379  0.35220367
   0.03400916  0.39226655  0.16495488
   0.77710971  0.43922683  0.13519546
   0.66293087  0.16981359  0.37130695
   0.44790865  0.13268348  0.47213158
   0.68441586  0.07622074  0.55368620
   0.84413705  0.23304994  0.83449991
   0.63151199  0.32289388  0.52610494
   0.86259488  0.50375090  0.84373140
   0.98018957  0.45492608  0.60652535
   0.74262310  0.38246385  0.70164790
   0.78728760  0.07437443  0.97668223
   0.54277140  0.08817862  0.91989643
   0.54892956  0.54063665  0.05748827
   0.89793005  0.69472181  0.27801695
   0.55030956  0.80689107  0.03694643
   0.85423017  0.97079522  0.32576272
   0.92484553  0.87944410  0.15613098
   0.66776882  0.83538952  0.23095302
   0.84373498  0.68605668  0.45584800
   0.60816245  0.61742711  0.39502383
   0.70699612  0.56727922  0.57813327
   0.85129456  0.76354623  0.81369425
   0.61499192  0.85408700  0.47843836
   0.94840243  0.99507048  0.83461656
   0.98817323  0.86892050  0.67457749
   0.74143196  0.96967328  0.71335751
   0.75820756  0.66148121  0.97708606
   0.52811517  0.67841217  0.87178371
   0.77009598  0.80577236  0.59489431
   0.38717895  0.72337366  0.47733522
   0.87220599  0.24020807  0.07053992
   0.88696076  0.37101482  0.39219696
   0.38848735  0.12165376  0.62304403
   0.21228277  0.74522430  0.75293295
   0.16721056  1.10529616  0.19102622
   0.28176290  1.14496420  0.04416066
   0.62252297  0.37429580  0.85730059
   0.80071921  0.57833334  0.59423868
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.742337    0.195847   -0.122008
    -0.000000    9.870599    0.009143
    -0.000000    0.000000   13.981264
   Si   O    H 
    32    64    10
Direct configuration=  2972
   0.19328331  0.21108596 -0.02542679
   0.33625293  0.10028902  0.38515444
   0.16591514  0.44967820  0.11433820
   0.41100009  0.34839464  0.25171195
   0.04181391  0.12996750  0.49035765
   0.43495159  0.13895994  0.83617139
   0.11403694  0.37060151  0.60124209
   0.37785239  0.38699144  0.73296305
   0.14927976  0.69657478  0.00598618
   0.45535614  0.58632847  0.36100949
   0.08335893  0.90925359  0.14159331
   0.32456159  0.84082505  0.26617493
   0.17748159  0.60540217  0.48108548
   0.36770821  0.63528529  0.84909006
   0.10151013  0.88161025  0.58352872
   0.38829568  0.98994979  0.66322866
   0.63805143  0.12334257  1.01132188
   0.82866789  0.12935314  0.34160088
   0.62623087  0.40541116  0.09787938
   0.89395714  0.31850735  0.16370121
   0.60457941  0.17136073  0.48046725
   0.89885280  0.11315695  0.90580224
   0.63280978  0.42447823  0.61907542
   0.76742442  0.37765845  0.81897877
   0.59160190  0.66365680 -0.02086774
   0.92001402  0.60617642  0.37377174
   0.56696270  0.89012150  0.13948758
   0.83795873  0.84267286  0.24687273
   0.68830230  0.70839560  0.48218767
   0.86499148  0.64461950  0.89055575
   0.66742684  0.92669090  0.59880198
   0.88358517  0.90314005  0.75659065
   0.10036722  0.07674146  0.13649660
   0.36360971  0.19131013  0.28931567
   0.18032171  0.37412099  0.00736867
   0.42954129  0.43276706  0.35009821
   0.55050203  0.36217500  0.19900791
   0.28671433  0.40998049  0.19020911
   0.17666716  0.13594279  0.41471436
  -0.09494792  0.18326104  0.44149242
   0.02396876 -0.03517082  0.50151165
   0.47993457  0.25136202  0.76225834
   0.08379947  0.21139755  0.58397308
   0.37997120  0.48238238  0.83216217
   0.47885218  0.45247603  0.64990419
   0.23006877  0.34848162  0.70182363
   0.28765962  0.19683724 -0.11575523
   0.03987353  0.15971419  0.95477985
   0.13743054  0.60944244  0.10430847
   0.36879099  0.68315743  0.29008062
   0.14878113  0.85531297  0.04031445
   0.33319385  0.94417275  0.36107315
   0.41550131  0.89442912  0.18263190
   0.16360748  0.83679070  0.23485806
   0.32971904  0.66569472  0.43967595
   0.08693038  0.61026711  0.38783445
   0.20949579  0.46118598  0.52901529
   0.28686660  0.69440612  0.75242947
   0.13068291  0.72636763  0.54912511
   0.39024046  1.00739846  0.77860457
   0.51351686  0.88480659  0.63808713
   0.24650157  0.93567473  0.61789081
   0.29497644  0.67378965 -0.04969036
   0.02411069  0.67044171  0.93441846
   0.59800196  0.04917188  0.10969009
   0.86178275  0.22231461  0.25617839
   0.62602290  0.28722992  0.02184003
   0.90150086  0.44707229  0.35248021
   0.03451636  0.39342986  0.16451277
   0.77742849  0.44038468  0.13498917
   0.66368284  0.16991064  0.36962482
   0.44600876  0.12984461  0.47157661
   0.68380169  0.07731934  0.55421568
   0.84374824  0.23376690  0.83459931
   0.63249154  0.32379134  0.52709639
   0.86128996  0.50415941  0.84202872
   0.98046348  0.45567325  0.60747891
   0.74293953  0.38177189  0.70017021
   0.78813166  0.07538062  0.97683373
   0.54209121  0.08755581  0.91849925
   0.54879169  0.54215311  0.05800289
   0.89746351  0.69517794  0.27887060
   0.55176173  0.80967085  0.03956015
   0.85279241  0.97156165  0.32561432
   0.92622163  0.87857873  0.15443470
   0.66798884  0.83490636  0.23024553
   0.84240612  0.68618577  0.45549357
   0.60725888  0.61830094  0.39434500
   0.70609216  0.56529875  0.57828019
   0.85066870  0.76394239  0.81322345
   0.61410769  0.85413018  0.47717510
   0.94780200  0.99386910  0.83381513
   0.98774210  0.86729963  0.67482175
   0.74250548  0.97006691  0.71395887
   0.75703341  0.66264178  0.97661406
   0.53058576  0.67799647  0.87245077
   0.77745624  0.80931579  0.59658771
   0.39492516  0.72190699  0.48401090
   0.87120669  0.23536899  0.07255574
   0.89023744  0.37033470  0.39336498
   0.38561489  0.11292509  0.62083385
   0.19203321  0.76223855  0.75221413
   0.15784908  1.10053836  0.18229992
   0.28275150  1.14683972  0.04320621
   0.62641865  0.37659716  0.86359330
   0.81083600  0.57821051  0.59882443
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.739530    0.195420   -0.121770
    -0.000000    9.870254    0.007944
    -0.000000    0.000000   13.982246
   Si   O    H 
    32    64    10
Direct configuration=  2973
   0.19333457  0.21048267 -0.02487977
   0.33587641  0.09947411  0.38553797
   0.16640741  0.44946642  0.11479458
   0.41058374  0.34818115  0.25321524
   0.04182045  0.12893281  0.49076444
   0.43404645  0.13943166  0.83648506
   0.11448449  0.37117581  0.60143121
   0.37787948  0.38724090  0.73322295
   0.15182758  0.69602217  0.00713011
   0.45468852  0.58746115  0.36136471
   0.08271785  0.90968043  0.14263176
   0.32581738  0.84112220  0.26673507
   0.17782436  0.60590039  0.48055739
   0.36731061  0.63544414  0.84829111
   0.10184691  0.88178334  0.58423603
   0.38997147  0.99071688  0.66306969
   0.63890011  0.12189597  1.01026186
   0.82797449  0.12994885  0.34115473
   0.62649969  0.40556333  0.09836188
   0.89437643  0.31777981  0.16359328
   0.60506049  0.17060583  0.47996998
   0.89910456  0.11297887  0.90405151
   0.63458661  0.42393831  0.61961615
   0.76795425  0.37794746  0.81878818
   0.59207002  0.66403254 -0.02068241
   0.92093744  0.60521385  0.37380346
   0.56733435  0.88951963  0.13967810
   0.83795610  0.84396922  0.24784184
   0.68857055  0.70748144  0.48241225
   0.86501719  0.64457648  0.89085381
   0.66941156  0.92712101  0.59858658
   0.88285736  0.90199642  0.75595545
   0.10058248  0.07850995  0.13755537
   0.36534760  0.19105093  0.28904585
   0.17856299  0.37525824  0.00788385
   0.42902893  0.43256841  0.35089029
   0.55181275  0.36271963  0.19933086
   0.28558765  0.40934526  0.19036502
   0.17647508  0.13665733  0.41365572
  -0.09804726  0.18502045  0.44244459
   0.02394111 -0.03494884  0.50098993
   0.48119907  0.25224159  0.76149050
   0.08372100  0.21135881  0.58467860
   0.38065190  0.48369668  0.83365906
   0.48038840  0.45248383  0.64960310
   0.22961947  0.34728088  0.70279348
   0.28914802  0.19642537 -0.11593620
   0.04000360  0.15946794  0.95527830
   0.13697403  0.60900371  0.10417559
   0.36880511  0.68428893  0.28793233
   0.14832060  0.85650446  0.04095395
   0.33401692  0.94597989  0.36133027
   0.41478284  0.89305577  0.18360802
   0.16363248  0.83581538  0.23616677
   0.33220153  0.66759592  0.44004291
   0.08580364  0.60925610  0.38881982
   0.21009591  0.46127052  0.52920335
   0.28794282  0.69362629  0.75320164
   0.13146452  0.72694855  0.55003313
   0.39027933  1.00802303  0.77756500
   0.51315125  0.88322634  0.63693779
   0.24489718  0.93800698  0.61828345
   0.29364078  0.67386920 -0.04791326
   0.02442460  0.66969003  0.93543076
   0.59650074  0.04820028  0.10796662
   0.86089417  0.22453686  0.25659054
   0.62316242  0.28781621  0.02180934
   0.90020028  0.44747133  0.35304732
   0.03418810  0.39370331  0.16394776
   0.77871685  0.44187088  0.13451810
   0.66490446  0.16968780  0.36820998
   0.44266827  0.12724257  0.47034402
   0.68297602  0.07819826  0.55519129
   0.84322743  0.23536241  0.83508970
   0.63306047  0.32516188  0.52816746
   0.86036732  0.50397111  0.84110871
   0.98051944  0.45653006  0.60861265
   0.74371709  0.38040913  0.69879262
   0.78900790  0.07640591  0.97755868
   0.54097171  0.08670807  0.91735012
   0.54945973  0.54321363  0.05829115
   0.89682040  0.69581293  0.27951372
   0.55336381  0.81128489  0.04194578
   0.85128629  0.97283471  0.32509516
   0.92674710  0.87800942  0.15280971
   0.66835613  0.83405091  0.22913866
   0.84092221  0.68646903  0.45553962
   0.60714496  0.61930681  0.39430975
   0.70516505  0.56379442  0.57839737
   0.84951650  0.76377646  0.81243536
   0.61289280  0.85407234  0.47589005
   0.94714586  0.99320445  0.83347547
   0.98713690  0.86590924  0.67443467
   0.74348333  0.97005280  0.71426058
   0.75640185  0.66365577  0.97565425
   0.53203063  0.67826856  0.87298373
   0.78121559  0.81335452  0.59718952
   0.39458374  0.71987032  0.48870562
   0.87178147  0.23130605  0.07595118
   0.89179043  0.36745160  0.39624420
   0.38695592  0.11534680  0.61583574
   0.18854341  0.77173320  0.75126776
   0.16504498  1.10074444  0.18618161
   0.28466441  1.14344548  0.04502196
   0.63612407  0.38116183  0.86935877
   0.81192437  0.57697907  0.60005680
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.736907    0.195248   -0.122012
    -0.000000    9.870098    0.007081
    -0.000000    0.000000   13.983235
   Si   O    H 
    32    64    10
Direct configuration=  2974
   0.19330998  0.21007138 -0.02447891
   0.33558778  0.09920039  0.38551603
   0.16712435  0.44960340  0.11538948
   0.41039637  0.34749076  0.25443303
   0.04167527  0.12844824  0.49113449
   0.43343409  0.13965492  0.83697237
   0.11558600  0.37164926  0.60166809
   0.37814306  0.38739876  0.73308473
   0.15412199  0.69538199  0.00787616
   0.45367664  0.58858126  0.36152577
   0.08252728  0.91044312  0.14385489
   0.32705889  0.84162733  0.26759563
   0.17802060  0.60656585  0.48006093
   0.36692195  0.63610311  0.84776068
   0.10165987  0.88122299  0.58469010
   0.39180385  0.99173220  0.66211003
   0.63927202  0.12061764  1.00919528
   0.82645681  0.13031926  0.34089733
   0.62672667  0.40556751  0.09924399
   0.89456173  0.31722561  0.16359071
   0.60574168  0.17059121  0.47912114
   0.89951400  0.11319637  0.90239743
   0.63681484  0.42302085  0.62009165
   0.76839866  0.37802037  0.81856206
   0.59217825  0.66406735 -0.02064175
   0.92180951  0.60430154  0.37355012
   0.56687644  0.88861962  0.14001119
   0.83836965  0.84529308  0.24855688
   0.68841432  0.70652030  0.48252935
   0.86489540  0.64499693  0.89105726
   0.67076094  0.92658833  0.59829712
   0.88098093  0.90130936  0.75562848
   0.10017392  0.07989281  0.13842122
   0.36864835  0.19122994  0.28879763
   0.17700731  0.37639351  0.00829407
   0.42875245  0.43088358  0.35162342
   0.55346400  0.36347762  0.19951355
   0.28432221  0.40906708  0.19051053
   0.17549683  0.13776661  0.41266530
  -0.10079357  0.18684363  0.44357216
   0.02334609 -0.03461763  0.50113669
   0.48208437  0.25313447  0.76094182
   0.08359795  0.21064873  0.58540601
   0.38172990  0.48410527  0.83467812
   0.48164246  0.45277669  0.64953239
   0.22796048  0.34620827  0.70313966
   0.29073465  0.19676280 -0.11646297
   0.04065054  0.15907469  0.95591889
   0.13673211  0.60852661  0.10406520
   0.36928226  0.68489520  0.28560731
   0.14804903  0.85746175  0.04135062
   0.33478052  0.94690893  0.36134303
   0.41438874  0.89086191  0.18456825
   0.16296754  0.83544041  0.23754984
   0.33500001  0.66858402  0.44061739
   0.08433525  0.60781562  0.38963895
   0.21050834  0.46134367  0.52904915
   0.28843764  0.69418488  0.75432897
   0.13184430  0.72683450  0.55132733
   0.39062385  1.00738750  0.77671674
   0.51271026  0.88147643  0.63614554
   0.24348010  0.93953317  0.61880176
   0.29280493  0.67396408 -0.04688578
   0.02375381  0.66926441  0.93637098
   0.59558774  0.04766867  0.10649696
   0.85962046  0.22638889  0.25693191
   0.62109129  0.28863535  0.02153876
   0.89986115  0.44842422  0.35445551
   0.03426488  0.39398966  0.16388771
   0.78018311  0.44351612  0.13448001
   0.66611611  0.16988138  0.36770949
   0.43966636  0.12481934  0.46930282
   0.68272418  0.07853996  0.55639767
   0.84322410  0.23658471  0.83538165
   0.63389107  0.32613093  0.52919377
   0.85943255  0.50280959  0.83992711
   0.97970802  0.45767119  0.61006643
   0.74423397  0.37798441  0.69765450
   0.78972363  0.07698081  0.97841236
   0.54007630  0.08632885  0.91632152
   0.54972486  0.54426564  0.05820268
   0.89534354  0.69601001  0.27984054
   0.55437043  0.81192655  0.04427212
   0.84963701  0.97344638  0.32418522
   0.92573605  0.87766302  0.15165307
   0.66961233  0.83358330  0.22790884
   0.84008182  0.68670121  0.45541462
   0.60589258  0.62019856  0.39436422
   0.70487927  0.56277852  0.57827261
   0.84816470  0.76353999  0.81157664
   0.61222757  0.85310594  0.47505815
   0.94690773  0.99287893  0.83352672
   0.98787546  0.86455117  0.67392503
   0.74365750  0.97011753  0.71494038
   0.75643657  0.66412715  0.97460169
   0.53297489  0.67815719  0.87335137
   0.77946619  0.81417295  0.59593535
   0.38763746  0.71366844  0.49032923
   0.87608764  0.22839102  0.08485851
   0.89545557  0.36654833  0.39698682
   0.39175234  0.12045830  0.61038797
   0.20382506  0.76587637  0.75048487
   0.17540204  1.10369863  0.19265241
   0.28550714  1.13743408  0.04850194
   0.64571205  0.38592472  0.87583000
   0.80477467  0.57593423  0.59953003
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.734581    0.194950   -0.122443
    -0.000000    9.869642    0.006221
    -0.000000    0.000000   13.984445
   Si   O    H 
    32    64    10
Direct configuration=  2975
   0.19377378  0.20954469 -0.02401062
   0.33455920  0.09937214  0.38548762
   0.16773606  0.45001591  0.11590979
   0.41036907  0.34739734  0.25594135
   0.04179795  0.12816099  0.49123613
   0.43255052  0.13984862  0.83709498
   0.11628705  0.37259556  0.60234500
   0.37825194  0.38760789  0.73291783
   0.15528437  0.69465228  0.00853615
   0.45234059  0.59005804  0.36164203
   0.08351818  0.91152508  0.14472749
   0.32738701  0.84186625  0.26868441
   0.17837004  0.60673502  0.48028487
   0.36660909  0.63745195  0.84749208
   0.10096327  0.88014127  0.58556622
   0.39326418  0.99273350  0.66120097
   0.63940662  0.11956973  1.00817673
   0.82427131  0.13073144  0.34100265
   0.62696376  0.40568146  0.10011070
   0.89442043  0.31737595  0.16321954
   0.60617502  0.17162008  0.47800235
   0.90028400  0.11367868  0.90043833
   0.63899221  0.42177277  0.62079458
   0.76848788  0.37808541  0.81811917
   0.59222333  0.66406723 -0.02035818
   0.92267180  0.60399361  0.37329678
   0.56624397  0.88740664  0.14041977
   0.83951403  0.84556569  0.24887532
   0.68724448  0.70549610  0.48252820
   0.86523286  0.64520205  0.89156640
   0.67139931  0.92630262  0.59822337
   0.87903155  0.90037661  0.75529565
   0.10110560  0.08035830  0.14006207
   0.37157118  0.19186164  0.28858770
   0.17651891  0.37703394  0.00936797
   0.42871179  0.42917583  0.35258102
   0.55510084  0.36492926  0.19961916
   0.28316028  0.40873450  0.19007931
   0.17365074  0.13915821  0.41218455
  -0.10345919  0.18844035  0.44395606
   0.02294484 -0.03422594  0.50154083
   0.48264550  0.25466794  0.76055017
   0.08342683  0.20979396  0.58606232
   0.38254293  0.48331970  0.83578957
   0.48211712  0.45365567  0.64963980
   0.22600349  0.34564908  0.70360180
   0.29201527  0.19741649 -0.11710502
   0.04117794  0.15899726  0.95627457
   0.13616509  0.60792421  0.10449324
   0.37051505  0.68563097  0.28310614
   0.14833710  0.85869714  0.04177441
   0.33581582  0.94619775  0.36124928
   0.41446118  0.88993361  0.18548214
   0.16268801  0.83527613  0.23848123
   0.33800270  0.66853108  0.44174388
   0.08357140  0.60674914  0.39028446
   0.21097613  0.46184885  0.52903779
   0.28855439  0.69484535  0.75573082
   0.13195797  0.72652388  0.55218184
   0.39050347  1.00652609  0.77593085
   0.51246777  0.87986875  0.63520355
   0.24254230  0.94146083  0.61930998
   0.29217347  0.67424150 -0.04627519
   0.02265500  0.66857974  0.93674221
   0.59544032  0.04761868  0.10550410
   0.85914294  0.22896150  0.25696707
   0.61918031  0.28898255  0.02093156
   0.89842198  0.44855819  0.35563576
   0.03414957  0.39365697  0.16427048
   0.78197453  0.44449729  0.13480468
   0.66720224  0.17062631  0.36731322
   0.43755487  0.12322795  0.46883029
   0.68272006  0.07890907  0.55751186
   0.84280711  0.23763837  0.83584266
   0.63466270  0.32751246  0.53007358
   0.85863059  0.50132673  0.83914821
   0.97910883  0.45911830  0.61155423
   0.74430533  0.37570708  0.69737029
   0.79058433  0.07747977  0.97932528
   0.53925410  0.08584437  0.91566637
   0.55011801  0.54504392  0.05820573
   0.89340227  0.69589082  0.28025677
   0.55548442  0.81179308  0.04596495
   0.84808826  0.97439743  0.32345238
   0.92470998  0.87742708  0.15090433
   0.67127028  0.83396274  0.22713456
   0.83978798  0.68712657  0.45547541
   0.60504105  0.62214267  0.39419458
   0.70603499  0.56295960  0.57822831
   0.84673378  0.76323363  0.81093083
   0.61237613  0.85249136  0.47403529
   0.94727461  0.99272823  0.83384499
   0.98917803  0.86285077  0.67372667
   0.74317432  0.96981351  0.71513730
   0.75616548  0.66444586  0.97362629
   0.53362278  0.67842081  0.87430479
   0.77361782  0.81631532  0.59483403
   0.37804664  0.71012797  0.49420341
   0.88198439  0.22452483  0.09201243
   0.89499607  0.37281126  0.39443617
   0.39913603  0.12277806  0.60742979
   0.22820459  0.75038191  0.75193135
   0.17694797  1.10470091  0.18883411
   0.28413510  1.12792457  0.05215619
   0.65205618  0.38847998  0.88118525
   0.79435786  0.57558104  0.59606353
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.732512    0.194463   -0.123078
    -0.000000    9.869382    0.005444
    -0.000000    0.000000   13.985910
   Si   O    H 
    32    64    10
Direct configuration=  2976
   0.19489619  0.20873729 -0.02366466
   0.33342665  0.10036466  0.38496492
   0.16770175  0.44995931  0.11602251
   0.41022514  0.34649083  0.25732737
   0.04188685  0.12823416  0.49116825
   0.43160295  0.14000294  0.83702771
   0.11753492  0.37368694  0.60310597
   0.37800496  0.38747343  0.73294622
   0.15554377  0.69463736  0.00933092
   0.45156015  0.59209377  0.36204970
   0.08476008  0.91250892  0.14541729
   0.32719892  0.84147252  0.27020964
   0.17900817  0.60705795  0.48106047
   0.36597667  0.63986427  0.84740001
   0.10093456  0.87932856  0.58677055
   0.39466434  0.99353964  0.66063369
   0.63855232  0.11902613  1.00725091
   0.82228438  0.13139367  0.34138259
   0.62720557  0.40600853  0.10066353
   0.89363382  0.31780416  0.16320416
   0.60670924  0.17244855  0.47767033
   0.90118494  0.11458987  0.89870722
   0.64042341  0.42032619  0.62150580
   0.76788944  0.37822885  0.81769361
   0.59230341  0.66392763 -0.01969864
   0.92354684  0.60355129  0.37302573
   0.56594335  0.88709152  0.14120907
   0.84025561  0.84605184  0.24819844
   0.68549102  0.70454988  0.48295338
   0.86587303  0.64560710  0.89210474
   0.67159602  0.92644586  0.59835113
   0.87726453  0.89945456  0.75451144
   0.10244304  0.08079863  0.14244014
   0.37432078  0.19236397  0.28838991
   0.17660376  0.37664920  0.01010596
   0.42858603  0.42755082  0.35374947
   0.55551535  0.36637502  0.19985332
   0.28288326  0.40938004  0.19011827
   0.17203283  0.14033054  0.41275107
  -0.10482053  0.19025875  0.44396460
   0.02198987 -0.03479245  0.50236268
   0.48384525  0.25593168  0.76078184
   0.08383110  0.20925262  0.58683961
   0.38286618  0.48144721  0.83604583
   0.48140053  0.45453451  0.65001915
   0.22414948  0.34533179  0.70315947
   0.29270822  0.19784637 -0.11754789
   0.04149079  0.15947297  0.95629426
   0.13621552  0.60705137  0.10475415
   0.37096092  0.68587779  0.28052512
   0.14914118  0.85904653  0.04227487
   0.33710825  0.94478898  0.36066230
   0.41432661  0.89050269  0.18607628
   0.16068524  0.83583068  0.23899616
   0.34047602  0.66758331  0.44268750
   0.08321273  0.60596551  0.39087375
   0.21111355  0.46151732  0.52858684
   0.29121079  0.69330456  0.75700150
   0.13291809  0.72570739  0.55277975
   0.39022885  1.00621296  0.77515289
   0.51181948  0.87756429  0.63459779
   0.24146676  0.94258243  0.62001215
   0.29163478  0.67466460 -0.04571492
   0.02180137  0.66801006  0.93698454
   0.59473994  0.04716013  0.10468983
   0.85955058  0.23220167  0.25653196
   0.61871794  0.28959697  0.01993365
   0.89662977  0.44927309  0.35692191
   0.03389768  0.39397259  0.16534328
   0.78399145  0.44535694  0.13566980
   0.66766483  0.17128475  0.36731404
   0.43638004  0.12230168  0.46863930
   0.68259743  0.07924443  0.55805350
   0.84287998  0.23838541  0.83622257
   0.63486972  0.32760168  0.52990149
   0.85811084  0.50132313  0.83853224
   0.97841202  0.46092673  0.61265461
   0.74504092  0.37341077  0.69802054
   0.79087754  0.07759659  0.98021196
   0.53925266  0.08446886  0.91565988
   0.55006150  0.54650132  0.05767076
   0.89155551  0.69640010  0.28073764
   0.55716482  0.81061749  0.04692322
   0.84670194  0.97492241  0.32248213
   0.92328197  0.87785657  0.15013979
   0.67398995  0.83412763  0.22626001
   0.84007910  0.68791529  0.45540530
   0.60461018  0.62428788  0.39351659
   0.70609773  0.56328326  0.57856252
   0.84561141  0.76189986  0.81068785
   0.61381837  0.85139234  0.47317088
   0.94830906  0.99365640  0.83436356
   0.99018640  0.86153683  0.67332948
   0.74269464  0.97020167  0.71485117
   0.75555426  0.66484694  0.97317263
   0.53367320  0.67857489  0.87512257
   0.77246998  0.81689718  0.59233293
   0.37361895  0.71521060  0.50510247
   0.88834392  0.21614601  0.09371753
   0.89424201  0.36984631  0.39820463
   0.40782848  0.12214066  0.60573661
   0.19975570  0.77762741  0.75052563
   0.17315710  1.10367343  0.18190537
   0.27661894  1.12568841  0.04973542
   0.65208111  0.39287594  0.88341537
   0.80461267  0.57537972  0.59874366
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.731053    0.194370   -0.123992
    -0.000000    9.869380    0.005150
    -0.000000    0.000000   13.986863
   Si   O    H 
    32    64    10
Direct configuration=  2977
   0.19649601  0.20893179 -0.02303877
   0.33217723  0.10146617  0.38369501
   0.16820472  0.44932108  0.11561951
   0.41012878  0.34582657  0.25843688
   0.04243062  0.12862022  0.49094082
   0.43061689  0.13945572  0.83711754
   0.11852374  0.37401582  0.60396609
   0.37782472  0.38789644  0.73312393
   0.15544947  0.69526270  0.01026361
   0.45040467  0.59392970  0.36198860
   0.08605463  0.91375754  0.14624029
   0.32629651  0.84154067  0.27165960
   0.17909026  0.60749885  0.48158065
   0.36543312  0.64242159  0.84765295
   0.10061120  0.87894555  0.58776608
   0.39565971  0.99438291  0.65996328
   0.63763007  0.11909118  1.00628636
   0.82053362  0.13279430  0.34149609
   0.62774406  0.40656148  0.10101417
   0.89279083  0.31820150  0.16305995
   0.60704823  0.17335784  0.47722736
   0.90271035  0.11545509  0.89784876
   0.64239329  0.41914088  0.62183641
   0.76695978  0.37809836  0.81714279
   0.59207662  0.66392969 -0.01900607
   0.92405950  0.60308051  0.37261785
   0.56601860  0.88716967  0.14173688
   0.84067528  0.84627270  0.24749027
   0.68405103  0.70326365  0.48363146
   0.86667875  0.64617640  0.89233081
   0.67146827  0.92686570  0.59857004
   0.87574855  0.89863631  0.75337869
   0.10256287  0.08058547  0.14478764
   0.37646227  0.19233802  0.28887603
   0.17632591  0.37632767  0.01078985
   0.42931395  0.42709238  0.35488003
   0.55537562  0.36810683  0.20034700
   0.28293146  0.41048775  0.19031679
   0.17046293  0.14240682  0.41334387
  -0.10563261  0.19153060  0.44416726
   0.02039600 -0.03531484  0.50313288
   0.48406974  0.25705796  0.76072051
   0.08513825  0.20910712  0.58705177
   0.38344348  0.47957675  0.83579562
   0.48071625  0.45554993  0.65084254
   0.22223570  0.34549338  0.70269981
   0.29283484  0.19829198 -0.11761412
   0.04131244  0.15971014  0.95611816
   0.13570395  0.60678939  0.10551891
   0.37078702  0.68581095  0.27899189
   0.14960381  0.85974986  0.04293518
   0.33848714  0.94329702  0.35997817
   0.41454818  0.89120391  0.18634234
   0.15819094  0.83588789  0.23924424
   0.34272731  0.66705965  0.44467384
   0.08342719  0.60553091  0.39185831
   0.21167461  0.46063550  0.52845284
   0.29283045  0.69290050  0.75788492
   0.13437357  0.72431087  0.55333094
   0.39066504  1.00651675  0.77434070
   0.51124509  0.87641481  0.63455678
   0.23997350  0.94343297  0.62063814
   0.29166334  0.67487396 -0.04545073
   0.02087574  0.66741067  0.93740519
   0.59473451  0.04544592  0.10439424
   0.86038483  0.23479608  0.25640880
   0.61899650  0.28990267  0.01920668
   0.89486682  0.44953391  0.35832308
   0.03405495  0.39449864  0.16603357
   0.78559314  0.44523832  0.13680773
   0.66685844  0.17206977  0.36731124
   0.43608134  0.12183359  0.46850460
   0.68277774  0.08009530  0.55829639
   0.84341901  0.23892745  0.83627816
   0.63495033  0.32736579  0.52936124
   0.85892670  0.50152801  0.83802974
   0.97766150  0.46192427  0.61318759
   0.74544276  0.37121930  0.69867017
   0.79094216  0.07691177  0.98084591
   0.53907606  0.08359000  0.91527841
   0.54916719  0.54800779  0.05752881
   0.88988127  0.69732772  0.28122066
   0.55862370  0.80841029  0.04710380
   0.84584702  0.97490042  0.32128079
   0.92155751  0.87872930  0.14924261
   0.67684446  0.83476871  0.22561797
   0.84117231  0.68851126  0.45534842
   0.60396450  0.62596433  0.39285753
   0.70594166  0.56459426  0.57897429
   0.84429806  0.76141951  0.81110378
   0.61516278  0.85041734  0.47272055
   0.95044196  0.99504252  0.83460686
   0.99111642  0.86053426  0.67273370
   0.74144947  0.97053213  0.71433561
   0.75506571  0.66503393  0.97322717
   0.53307419  0.67745572  0.87571952
   0.77361367  0.81112689  0.58972941
   0.37175751  0.71865001  0.51150085
   0.89353394  0.20689147  0.09073859
   0.89044115  0.36358164  0.40197575
   0.41736238  0.11858797  0.60710865
   0.18644021  0.78948655  0.75153218
   0.18166484  1.10829630  0.18492905
   0.26957769  1.12639969  0.04576713
   0.65177214  0.39793136  0.88415363
   0.81206103  0.57745957  0.60025538
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.729317    0.194379   -0.125195
    -0.000000    9.868729    0.004960
    -0.000000    0.000000   13.987686
   Si   O    H 
    32    64    10
Direct configuration=  2978
   0.19754098  0.20955992 -0.02220301
   0.33123135  0.10231841  0.38241698
   0.16814926  0.44856888  0.11515569
   0.41052307  0.34527516  0.25913718
   0.04319697  0.12903506  0.49067472
   0.42998338  0.13847262  0.83721762
   0.11911682  0.37431485  0.60520878
   0.37759049  0.38802435  0.73327956
   0.15474250  0.69613199  0.01072723
   0.44943868  0.59518837  0.36238547
   0.08657737  0.91494118  0.14663948
   0.32538153  0.84131667  0.27240516
   0.17909605  0.60753844  0.48214556
   0.36607155  0.64462294  0.84800772
   0.10031698  0.87851412  0.58898742
   0.39622271  0.99477066  0.65946776
   0.63616065  0.11936548  1.00520615
   0.81895567  0.13417680  0.34176945
   0.62790770  0.40705955  0.10117536
   0.89237639  0.31815340  0.16278546
   0.60694894  0.17501572  0.47650810
   0.90454179  0.11640674  0.89772648
   0.64364199  0.41897313  0.62167327
   0.76569542  0.37717529  0.81655421
   0.59261360  0.66396426 -0.01834284
   0.92498867  0.60262163  0.37229886
   0.56681325  0.88786740  0.14260167
   0.84120012  0.84701746  0.24696872
   0.68184095  0.70226516  0.48413191
   0.86802621  0.64656394  0.89265975
   0.67116353  0.92644902  0.59873929
   0.87461827  0.89816800  0.75291018
   0.10344893  0.07989068  0.14736814
   0.37793741  0.19270452  0.28902293
   0.17680474  0.37567279  0.01096122
   0.42919056  0.42707158  0.35634008
   0.55570607  0.36909130  0.20074117
   0.28329048  0.41102118  0.19078219
   0.16944506  0.14404536  0.41344443
  -0.10649120  0.19228395  0.44463272
   0.01899896 -0.03514103  0.50361640
   0.48367500  0.25837915  0.76090414
   0.08689288  0.20869802  0.58690263
   0.38475219  0.47758847  0.83545566
   0.48041863  0.45692252  0.65167695
   0.22061689  0.34630732  0.70155103
   0.29280922  0.19871890 -0.11722834
   0.04118416  0.16020920  0.95539876
   0.13646379  0.60658214  0.10661506
   0.37084177  0.68479823  0.27767398
   0.14955125  0.86070600  0.04343506
   0.33986450  0.94148980  0.35895532
   0.41490014  0.89163760  0.18571443
   0.15575501  0.83652376  0.23894374
   0.34452930  0.66719418  0.44697590
   0.08420192  0.60498111  0.39250659
   0.21308535  0.45903065  0.52796900
   0.29242931  0.69359484  0.75782284
   0.13629023  0.72401416  0.55401388
   0.39079159  1.00709561  0.77398193
   0.51081547  0.87528522  0.63427984
   0.23961120  0.94462537  0.62197482
   0.29167416  0.67531174 -0.04536833
   0.02023923  0.66714615  0.93717834
   0.59554646  0.04385255  0.10376799
   0.86062042  0.23738258  0.25667216
   0.61794451  0.29022309  0.01843124
   0.89273178  0.44944461  0.35907318
   0.03364296  0.39496961  0.16680975
   0.78758135  0.44521801  0.13802391
   0.66629682  0.17324173  0.36821132
   0.43641521  0.12235706  0.46863594
   0.68302352  0.08025091  0.55840073
   0.84399871  0.23929250  0.83675841
   0.63507048  0.32686056  0.52857426
   0.86001774  0.50188717  0.83721028
   0.97745083  0.46220523  0.61378115
   0.74603758  0.36913823  0.70014965
   0.79130035  0.07615603  0.98097777
   0.53955276  0.08210395  0.91517585
   0.54918393  0.54882326  0.05720279
   0.88840492  0.69792166  0.28173767
   0.55994312  0.80545637  0.04622361
   0.84458980  0.97487513  0.31953464
   0.92073762  0.88020522  0.14869308
   0.67914877  0.83546543  0.22463535
   0.84240408  0.68842425  0.45519971
   0.60318084  0.62756431  0.39211681
   0.70571271  0.56654963  0.57929224
   0.84346353  0.76055279  0.81174600
   0.61625421  0.85061700  0.47256419
   0.95203828  0.99610213  0.83509319
   0.99175038  0.85947980  0.67245970
   0.73919506  0.97150144  0.71347081
   0.75542041  0.66644549  0.97351628
   0.53244712  0.67631621  0.87635147
   0.77241028  0.80524652  0.58807260
   0.36653136  0.71994076  0.51338349
   0.89784064  0.20379334  0.08647809
   0.89045503  0.36902934  0.40122569
   0.42354013  0.11606902  0.60896149
   0.18449090  0.79052265  0.75341071
   0.19172772  1.11407959  0.18692456
   0.26737255  1.13107643  0.04405412
   0.65056736  0.40212855  0.88394836
   0.81019548  0.57603395  0.60021136
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.727396    0.193716   -0.126083
    -0.000000    9.868131    0.004267
    -0.000000    0.000000   13.988696
   Si   O    H 
    32    64    10
Direct configuration=  2979
   0.19876180  0.21049808 -0.02148737
   0.33005315  0.10281408  0.38094228
   0.16830961  0.44760497  0.11451964
   0.41158747  0.34425837  0.25950118
   0.04396483  0.12915044  0.48972644
   0.42942567  0.13722771  0.83713457
   0.11940374  0.37517139  0.60611838
   0.37745952  0.38836377  0.73331715
   0.15373545  0.69741285  0.01126152
   0.44893914  0.59672735  0.36336063
   0.08740655  0.91621273  0.14719971
   0.32426655  0.84076290  0.27288470
   0.17927350  0.60767972  0.48277157
   0.36740041  0.64574382  0.84941509
   0.09950202  0.87812905  0.59005914
   0.39671612  0.99420110  0.65899996
   0.63532129  0.12026593  1.00448545
   0.81798086  0.13497900  0.34168374
   0.62777458  0.40715834  0.10145794
   0.89181967  0.31823138  0.16204247
   0.60722318  0.17676505  0.47601413
   0.90602279  0.11734915  0.89773105
   0.64444468  0.41877232  0.62153149
   0.76476177  0.37630281  0.81611050
   0.59272813  0.66413489 -0.01812696
   0.92593974  0.60185110  0.37149899
   0.56733620  0.88855484  0.14339026
   0.84222327  0.84808130  0.24607047
   0.67970807  0.70088369  0.48430160
   0.87000662  0.64645011  0.89300885
   0.67051355  0.92573387  0.59874660
   0.87391676  0.89736892  0.75250221
   0.10382925  0.07842149  0.15012324
   0.37970432  0.19335734  0.28929588
   0.17772494  0.37513469  0.01138758
   0.42913254  0.42788644  0.35729413
   0.55541969  0.36977658  0.20086629
   0.28352546  0.41091245  0.19135695
   0.16904877  0.14539058  0.41309323
  -0.10678932  0.19249959  0.44506584
   0.01840809 -0.03470571  0.50354878
   0.48254407  0.25903924  0.76086183
   0.08880918  0.20898414  0.58661641
   0.38590275  0.47577724  0.83488905
   0.48033296  0.45800238  0.65169824
   0.21952037  0.34711908  0.70092692
   0.29250947  0.19904362 -0.11635755
   0.04133081  0.16069135  0.95490040
   0.13735375  0.60669965  0.10747480
   0.37168786  0.68309292  0.27672529
   0.14915966  0.86074458  0.04408836
   0.34169752  0.93957986  0.35833614
   0.41579653  0.89256988  0.18614897
   0.15482355  0.83800088  0.23879461
   0.34613660  0.66707992  0.44961394
   0.08540158  0.60486627  0.39280404
   0.21546770  0.45789132  0.52749854
   0.29099214  0.69459771  0.75708510
   0.13857724  0.72342131  0.55471875
   0.39079954  1.00697313  0.77370883
   0.51096429  0.87462451  0.63443601
   0.24026342  0.94511564  0.62367396
   0.29162479  0.67490598 -0.04580701
   0.01987460  0.66702553  0.93719827
   0.59565153  0.04262534  0.10305369
   0.86079677  0.23926287  0.25737919
   0.61755383  0.29041304  0.01761718
   0.89025659  0.44844590  0.35984182
   0.03411147  0.39600537  0.16735397
   0.78884575  0.44488995  0.13899616
   0.66485073  0.17386146  0.36929071
   0.43752355  0.12212007  0.46900634
   0.68447759  0.07984097  0.55833802
   0.84420985  0.23937465  0.83724549
   0.63472576  0.32614280  0.52781455
   0.86111594  0.50242472  0.83670201
   0.97720893  0.46271156  0.61439012
   0.74741516  0.36727832  0.70212521
   0.79275866  0.07651535  0.98095900
   0.54007238  0.08055291  0.91531925
   0.54895482  0.54910154  0.05668314
   0.88724432  0.69793186  0.28221943
   0.56169446  0.80253315  0.04551522
   0.84429503  0.97580356  0.31796124
   0.91953967  0.88180341  0.14783282
   0.68077303  0.83706857  0.22294686
   0.84339299  0.68799301  0.45541459
   0.60214348  0.62830312  0.39156536
   0.70521223  0.56848836  0.57980532
   0.84227248  0.75974534  0.81220832
   0.61757435  0.85026251  0.47247694
   0.95372343  0.99760777  0.83494267
   0.99134093  0.85847012  0.67227440
   0.73678541  0.97265899  0.71290211
   0.75615034  0.66705389  0.97386758
   0.53161491  0.67564566  0.87781715
   0.76803768  0.80385991  0.58820831
   0.36376646  0.71800046  0.51087359
   0.89901347  0.21108389  0.08427829
   0.89098916  0.37873052  0.39864479
   0.43132520  0.11865967  0.61013274
   0.19438850  0.77835004  0.75794967
   0.18990415  1.11706988  0.18435789
   0.27206077  1.13063890  0.04342634
   0.64985712  0.40132480  0.88359113
   0.80559366  0.57684899  0.59622462
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.725364    0.192721   -0.127168
    -0.000000    9.866893    0.004435
    -0.000000    0.000000   13.989482
   Si   O    H 
    32    64    10
Direct configuration=  2980
   0.19962610  0.21120129 -0.02093740
   0.32883275  0.10367909  0.38004624
   0.16847723  0.44641051  0.11401751
   0.41257207  0.34390108  0.25964569
   0.04479083  0.12981397  0.48902292
   0.42882519  0.13620069  0.83712106
   0.11944909  0.37602537  0.60695999
   0.37714659  0.38818514  0.73334249
   0.15250906  0.69904579  0.01152073
   0.44849903  0.59744996  0.36448938
   0.08744565  0.91643805  0.14755417
   0.32395417  0.84023080  0.27286557
   0.17983832  0.60820889  0.48328329
   0.36905305  0.64608903  0.85083239
   0.09888694  0.87754802  0.59104685
   0.39649992  0.99317332  0.65852154
   0.63460696  0.12066499  1.00392068
   0.81738287  0.13555866  0.34130050
   0.62803787  0.40742923  0.10198634
   0.89157229  0.31845880  0.16093958
   0.60805936  0.17791773  0.47562186
   0.90717650  0.11855058  0.89807074
   0.64506687  0.41856301  0.62074428
   0.76443291  0.37549873  0.81622840
   0.59223658  0.66482076 -0.01768028
   0.92664167  0.60117294  0.37097496
   0.56807756  0.88969701  0.14391072
   0.84275997  0.84884220  0.24496675
   0.67800532  0.69963690  0.48449678
   0.87167558  0.64592920  0.89266070
   0.66949799  0.92495148  0.59857404
   0.87316111  0.89684837  0.75270930
   0.10447559  0.07697548  0.15318087
   0.38123059  0.19402987  0.28948498
   0.17861978  0.37431526  0.01125309
   0.42815649  0.43007973  0.35837809
   0.55476066  0.37000486  0.20087812
   0.28434066  0.41018602  0.19225694
   0.16915908  0.14698336  0.41232823
  -0.10597729  0.19175028  0.44439177
   0.01810889 -0.03457680  0.50377119
   0.48051467  0.25938756  0.76059730
   0.08975073  0.20986539  0.58636187
   0.38591208  0.47468011  0.83428364
   0.48098151  0.45895546  0.65176576
   0.21952469  0.34821738  0.70049110
   0.29211761  0.19976433 -0.11518946
   0.04191014  0.16130784  0.95424477
   0.13751040  0.60700532  0.10840953
   0.37243043  0.68107330  0.27585512
   0.14856934  0.85992559  0.04483184
   0.34314309  0.93802570  0.35769756
   0.41725215  0.89377461  0.18687685
   0.15437234  0.83873961  0.23885502
   0.34698306  0.66656759  0.45231032
   0.08713075  0.60433427  0.39251224
   0.21754653  0.45634423  0.52672429
   0.28944617  0.69667949  0.75576820
   0.13995045  0.72408119  0.55543867
   0.39111830  1.00653010  0.77319392
   0.51121826  0.87345129  0.63423467
   0.24155692  0.94628897  0.62514638
   0.29184539  0.67436061 -0.04677541
   0.02021552  0.66649048  0.93719950
   0.59650948  0.04210314  0.10232313
   0.86049866  0.24044359  0.25842507
   0.61778631  0.29007559  0.01685920
   0.88736817  0.44879029  0.35956364
   0.03447995  0.39724472  0.16814170
   0.79039648  0.44390305  0.13938092
   0.66269423  0.17435791  0.37035459
   0.43862306  0.12249535  0.46965581
   0.68612530  0.07968687  0.55767889
   0.84545108  0.23980551  0.83781033
   0.63488505  0.32527340  0.52720888
   0.86196543  0.50233472  0.83633787
   0.97676003  0.46294755  0.61447608
   0.74868614  0.36510871  0.70375240
   0.79426924  0.07648666  0.98080172
   0.54053706  0.07916855  0.91521491
   0.54895904  0.54932564  0.05637086
   0.88646150  0.69752598  0.28209165
   0.56310721  0.80021444  0.04517216
   0.84476717  0.97642625  0.31644785
   0.91890568  0.88258507  0.14695542
   0.68167616  0.83810363  0.22104314
   0.84445566  0.68720617  0.45603184
   0.60051081  0.62861779  0.39105606
   0.70441620  0.57042929  0.58017832
   0.84272582  0.75980006  0.81307454
   0.61838089  0.85015676  0.47264463
   0.95531727  0.99786821  0.83479832
   0.99153867  0.85727721  0.67220499
   0.73415402  0.97399359  0.71190830
   0.75722775  0.66775699  0.97403698
   0.53077900  0.67428909  0.87804198
   0.76100256  0.80381789  0.59056270
   0.36694978  0.71805778  0.50767693
   0.89727403  0.22141324  0.08543848
   0.89026981  0.36627786  0.40650781
   0.43856195  0.12329635  0.61130311
   0.21563324  0.75922103  0.76295810
   0.18252285  1.11627377  0.17983448
   0.28301463  1.12849532  0.04573891
   0.64839639  0.40244312  0.88044971
   0.80236844  0.57791256  0.59216312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.723188    0.191694   -0.127981
    -0.000000    9.865202    0.004491
    -0.000000    0.000000   13.989799
   Si   O    H 
    32    64    10
Direct configuration=  2981
   0.20004796  0.21213605 -0.02063760
   0.32786577  0.10445812  0.37972839
   0.16833967  0.44499139  0.11382225
   0.41297638  0.34385228  0.26017558
   0.04546221  0.13041628  0.48841075
   0.42797920  0.13508327  0.83697933
   0.11962153  0.37720322  0.60773137
   0.37758207  0.38785794  0.73344550
   0.15118530  0.70039281  0.01208593
   0.44799518  0.59787027  0.36556027
   0.08709218  0.91604027  0.14776374
   0.32328656  0.83989567  0.27250006
   0.18043527  0.60888926  0.48424263
   0.37047764  0.64604592  0.85261981
   0.09817781  0.87732294  0.59143921
   0.39588879  0.99256659  0.65838492
   0.63369170  0.12122503  1.00349954
   0.81741055  0.13617847  0.34096052
   0.62880300  0.40821404  0.10254847
   0.89156572  0.31863556  0.16025614
   0.60847939  0.17870995  0.47586210
   0.90806763  0.11947303  0.89848934
   0.64523104  0.41840176  0.61990331
   0.76445509  0.37511269  0.81650809
   0.59164389  0.66583022 -0.01659341
   0.92714508  0.60084410  0.37066078
   0.56909407  0.89048184  0.14416904
   0.84242583  0.84808378  0.24396546
   0.67679284  0.69850975  0.48459663
   0.87365008  0.64549477  0.89238308
   0.66832219  0.92364960  0.59839306
   0.87285257  0.89641401  0.75289550
   0.10566017  0.07612760  0.15626684
   0.38249824  0.19360270  0.29047883
   0.18036245  0.37303077  0.01098068
   0.42663608  0.43229234  0.35951715
   0.55369844  0.36941358  0.20080634
   0.28526437  0.40807110  0.19336597
   0.16992163  0.14816281  0.41194470
  -0.10527850  0.19106076  0.44401562
   0.01829034 -0.03516912  0.50452768
   0.47881429  0.25887410  0.76077525
   0.09055393  0.21058808  0.58605547
   0.38546492  0.47398351  0.83390672
   0.48136152  0.45981904  0.65211212
   0.21971977  0.34972089  0.70002333
   0.29203433  0.20044183 -0.11429070
   0.04280164  0.16199486  0.95426793
   0.13805999  0.60679794  0.10855747
   0.37378960  0.67909167  0.27610377
   0.14733680  0.85843573  0.04556267
   0.34488708  0.93817300  0.35758050
   0.41813021  0.89451500  0.18716509
   0.15583329  0.83832192  0.23938076
   0.34775917  0.66599758  0.45460356
   0.08939144  0.60353157  0.39231834
   0.21939256  0.45501455  0.52591358
   0.28789299  0.69787641  0.75426430
   0.14161636  0.72557629  0.55636965
   0.39070947  1.00517338  0.77271935
   0.51086850  0.87231112  0.63403360
   0.24301666  0.94693624  0.62705077
   0.29219341  0.67383185 -0.04800214
   0.02197768  0.66635814  0.93723573
   0.59741364  0.04143433  0.10207591
   0.86119318  0.24129059  0.25972430
   0.61815035  0.29014465  0.01651289
   0.88421663  0.44861567  0.35930322
   0.03497659  0.39789647  0.16893103
   0.79069428  0.44309603  0.13971796
   0.66043076  0.17468265  0.37116476
   0.44015911  0.12357813  0.47040673
   0.68764098  0.07929155  0.55643260
   0.84584034  0.24002496  0.83919900
   0.63485701  0.32522065  0.52683119
   0.86410683  0.50202062  0.83662014
   0.97641493  0.46294197  0.61459663
   0.75009103  0.36339544  0.70508144
   0.79623681  0.07768642  0.98095834
   0.54109418  0.07798147  0.91568900
   0.54934444  0.54906724  0.05612743
   0.88522007  0.69649618  0.28150698
   0.56425722  0.79840805  0.04473302
   0.84478989  0.97693409  0.31513956
   0.91960146  0.88355750  0.14636027
   0.68186706  0.84013985  0.21927051
   0.84466249  0.68659918  0.45708470
   0.59912618  0.62941068  0.39048040
   0.70337176  0.57261859  0.58110285
   0.84312960  0.76050441  0.81386078
   0.61830059  0.84978541  0.47266573
   0.95603420  0.99766306  0.83447021
   0.99131040  0.85643785  0.67201697
   0.73249950  0.97479232  0.71080975
   0.75872470  0.66757438  0.97438648
   0.53017667  0.67419439  0.87783560
   0.75452911  0.80514351  0.59606061
   0.37357477  0.72698215  0.50766643
   0.89702651  0.22955253  0.08408552
   0.89094021  0.36166913  0.41080398
   0.44514083  0.12471544  0.61532465
   0.22711528  0.74479380  0.76684901
   0.18202442  1.11976731  0.17813590
   0.29469783  1.12575133  0.04956672
   0.64765396  0.39928206  0.87454458
   0.80686858  0.57748414  0.58883018
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.720685    0.190513   -0.128844
    -0.000000    9.863924    0.004423
    -0.000000    0.000000   13.990333
   Si   O    H 
    32    64    10
Direct configuration=  2982
   0.20112692  0.21278857 -0.02055372
   0.32702751  0.10491408  0.37976932
   0.16845370  0.44348594  0.11341655
   0.41314651  0.34432932  0.26070645
   0.04599328  0.13078603  0.48787004
   0.42690213  0.13474290  0.83610156
   0.11918598  0.37808891  0.60849251
   0.37743890  0.38800708  0.73375329
   0.15008449  0.70115633  0.01195803
   0.44751768  0.59858777  0.36647319
   0.08643212  0.91563150  0.14775076
   0.32264453  0.83947550  0.27193997
   0.18116829  0.60937124  0.48489593
   0.37159778  0.64554052  0.85380244
   0.09752241  0.87717616  0.59211629
   0.39558309  0.99175125  0.65808381
   0.63274437  0.12179982  1.00238894
   0.81729041  0.13682014  0.34028764
   0.62989534  0.40949376  0.10292052
   0.89198711  0.31880244  0.15989348
   0.60875495  0.17913764  0.47621063
   0.90839114  0.12044437  0.89922569
   0.64481196  0.41846672  0.61944671
   0.76479617  0.37540002  0.81683371
   0.59155172  0.66787447 -0.01606826
   0.92775931  0.60035566  0.37062555
   0.56990901  0.89105926  0.14432838
   0.84201329  0.84721194  0.24303333
   0.67650620  0.69696976  0.48435819
   0.87503751  0.64496672  0.89193646
   0.66705806  0.92290108  0.59859199
   0.87301063  0.89623820  0.75301580
   0.10622646  0.07520382  0.15850613
   0.38414137  0.19221446  0.29208338
   0.18183215  0.37232635  0.01012041
   0.42598761  0.43425498  0.36096075
   0.55300763  0.36892969  0.20113126
   0.28583139  0.40699766  0.19436227
   0.17066340  0.14937090  0.41201891
  -0.10480255  0.19024755  0.44350858
   0.01850537 -0.03655610  0.50483207
   0.47726206  0.25736665  0.76098589
   0.09103480  0.21108804  0.58571659
   0.38510439  0.47457581  0.83340816
   0.48226905  0.46120028  0.65263924
   0.22003561  0.35131017  0.69982087
   0.29203846  0.20136041 -0.11349632
   0.04443178  0.16281842  0.95450086
   0.13908491  0.60721485  0.10812418
   0.37430656  0.67687609  0.27638968
   0.14636277  0.85771591  0.04611628
   0.34563424  0.93881140  0.35762221
   0.41817139  0.89526256  0.18776037
   0.15716513  0.83792272  0.23992232
   0.34775416  0.66510063  0.45677771
   0.09146984  0.60255956  0.39179530
   0.22091884  0.45294067  0.52521106
   0.29005233  0.69661202  0.75260766
   0.14349547  0.72760518  0.55709238
   0.39018965  1.00415780  0.77259448
   0.51080629  0.87144301  0.63406431
   0.24399755  0.94775785  0.62825399
   0.29107368  0.67322610 -0.04882151
   0.02379248  0.66628031  0.93758135
   0.59884615  0.04054138  0.10262314
   0.86276177  0.24239238  0.26117459
   0.61885460  0.29002361  0.01643281
   0.88204716  0.44739831  0.35919398
   0.03525647  0.39762466  0.16947277
   0.78906598  0.44334573  0.13945292
   0.65828104  0.17461388  0.37086706
   0.44036279  0.12463020  0.47084296
   0.68863645  0.07906228  0.55553462
   0.84595965  0.24120487  0.84069832
   0.63489443  0.32555024  0.52661966
   0.86606636  0.50227214  0.83675062
   0.97711855  0.46280484  0.61460474
   0.75170337  0.36196972  0.70569947
   0.79808829  0.07834152  0.98099501
   0.54124672  0.07578008  0.91555376
   0.55005548  0.54820885  0.05578068
   0.88320767  0.69524667  0.28099898
   0.56533589  0.79751875  0.04385067
   0.84414793  0.97751272  0.31404071
   0.92022282  0.88497012  0.14578892
   0.68112637  0.84233459  0.21773133
   0.84400916  0.68656941  0.45800632
   0.59834564  0.63022480  0.39054349
   0.70267620  0.57479457  0.58207411
   0.84362220  0.76152697  0.81448607
   0.61824612  0.84935572  0.47350175
   0.95660682  0.99625337  0.83331656
   0.99075670  0.85586219  0.67212968
   0.73066673  0.97476903  0.70989540
   0.76022179  0.66670535  0.97457504
   0.52889617  0.67370806  0.87717715
   0.75376559  0.80356832  0.60187293
   0.38221108  0.73561912  0.50822080
   0.89510886  0.22992869  0.08009644
   0.89349528  0.36664766  0.40898080
   0.44757326  0.12141924  0.62174031
   0.18301598  0.77296904  0.77973898
   0.19278077  1.12505218  0.17962084
   0.29791676  1.13073272  0.05140443
   0.64511383  0.39918652  0.86986431
   0.81455856  0.57663361  0.58676802
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.718342    0.189253   -0.130053
    -0.000000    9.862180    0.004251
    -0.000000    0.000000   13.990605
   Si   O    H 
    32    64    10
Direct configuration=  2983
   0.20188565  0.21325421 -0.02046069
   0.32694001  0.10485922  0.37965989
   0.16895511  0.44152186  0.11338484
   0.41348745  0.34523252  0.26145804
   0.04619350  0.13113760  0.48698683
   0.42591214  0.13423330  0.83527089
   0.11921380  0.37879011  0.60918981
   0.37821238  0.38809511  0.73414020
   0.14975644  0.70217938  0.01174145
   0.44703573  0.59869202  0.36733584
   0.08548928  0.91580580  0.14748599
   0.32209089  0.83786031  0.27139451
   0.18191117  0.60977959  0.48604282
   0.37208145  0.64491729  0.85454463
   0.09733145  0.87728302  0.59260282
   0.39551087  0.99110786  0.65789499
   0.63232993  0.12205796  1.00141023
   0.81736013  0.13772249  0.33929692
   0.63038746  0.41104067  0.10305814
   0.89237559  0.31822192  0.15965100
   0.60918178  0.17852832  0.47654640
   0.90944035  0.12149134  0.90009962
   0.64415443  0.41830282  0.61949838
   0.76557343  0.37570394  0.81709707
   0.59203379  0.66926382 -0.01553092
   0.92840602  0.60075365  0.37068566
   0.57006413  0.89187542  0.14407823
   0.84161361  0.84587468  0.24191228
   0.67646937  0.69550678  0.48398391
   0.87604311  0.64429674  0.89125941
   0.66557038  0.92212610  0.59852738
   0.87353867  0.89592591  0.75334316
   0.10699397  0.07514661  0.16085908
   0.38472368  0.19077085  0.29406507
   0.18286131  0.37225226  0.00943255
   0.42499625  0.43492669  0.36209621
   0.55264178  0.36941408  0.20112920
   0.28695603  0.40582638  0.19569975
   0.17162567  0.14997460  0.41180040
  -0.10392293  0.18948961  0.44286686
   0.01965563 -0.03802509  0.50529286
   0.47633293  0.25550592  0.76100908
   0.09053885  0.21041184  0.58460871
   0.38502736  0.47527421  0.83328572
   0.48296579  0.46260931  0.65296526
   0.22099318  0.35279975  0.69958302
   0.29176201  0.20192568 -0.11293108
   0.04689120  0.16316842  0.95487986
   0.13984868  0.60785653  0.10760698
   0.37466832  0.67547033  0.27728178
   0.14514309  0.85784246  0.04644751
   0.34617389  0.93978767  0.35747375
   0.41808951  0.89557067  0.18796794
   0.15946502  0.83675288  0.24108003
   0.34722256  0.66472908  0.45905697
   0.09319101  0.60266556  0.39115757
   0.22342591  0.45088435  0.52425710
   0.29159176  0.69595138  0.75208637
   0.14497776  0.73010127  0.55787644
   0.38944189  1.00353814  0.77244591
   0.51049786  0.87017634  0.63403503
   0.24413580  0.94813333  0.62915153
   0.28864819  0.67209353 -0.04989821
   0.02642076  0.66627927  0.93778461
   0.60046515  0.04001732  0.10291844
   0.86423200  0.24272981  0.26235131
   0.61956172  0.29046055  0.01644185
   0.87910094  0.44627631  0.35897541
   0.03584187  0.39758181  0.17020867
   0.78623995  0.44415182  0.13888219
   0.65661667  0.17443884  0.37026545
   0.44005094  0.12667865  0.47145517
   0.68913756  0.07887277  0.55446544
   0.84623613  0.24195415  0.84198569
   0.63509658  0.32499325  0.52655440
   0.86899295  0.50259143  0.83748470
   0.97740400  0.46193194  0.61405123
   0.75200866  0.36086969  0.70623156
   0.79927166  0.07896553  0.98066763
   0.54057869  0.07368404  0.91564899
   0.55041256  0.54652641  0.05565577
   0.88100844  0.69370668  0.28036337
   0.56530017  0.79715155  0.04387973
   0.84383266  0.97848308  0.31328661
   0.92171782  0.88594371  0.14496084
   0.68098099  0.84347458  0.21662030
   0.84251742  0.68670961  0.45875214
   0.59767960  0.63076754  0.39030530
   0.70267382  0.57713602  0.58285663
   0.84367686  0.76328942  0.81454032
   0.61805120  0.84928513  0.47439507
   0.95721085  0.99492442  0.83174226
   0.99118408  0.85516397  0.67240037
   0.72961779  0.97455010  0.70945276
   0.76101917  0.66528966  0.97469337
   0.52862088  0.67288499  0.87600320
   0.75747701  0.79680878  0.60569577
   0.38908183  0.73944520  0.50730598
   0.89393034  0.23055895  0.07462984
   0.89319106  0.38187338  0.40432020
   0.45184755  0.11745630  0.62602711
   0.15185894  0.79196928  0.78817252
   0.19396364  1.12600271  0.17922219
   0.29562071  1.13955655  0.04918037
   0.63673304  0.40121020  0.86706957
   0.81277182  0.57601621  0.58829922
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.716514    0.187705   -0.130987
    -0.000000    9.860491    0.004169
    -0.000000    0.000000   13.990749
   Si   O    H 
    32    64    10
Direct configuration=  2984
   0.20264003  0.21352460 -0.01971255
   0.32742813  0.10444474  0.38042300
   0.16965212  0.43964926  0.11333197
   0.41410732  0.34641560  0.26214202
   0.04611626  0.13113640  0.48593609
   0.42493204  0.13336846  0.83500573
   0.11866933  0.37944098  0.60990935
   0.37887275  0.38833422  0.73467258
   0.14966690  0.70304410  0.01068814
   0.44635918  0.59885575  0.36791173
   0.08514657  0.91630426  0.14719758
   0.32158717  0.83594772  0.27087857
   0.18275053  0.60959358  0.48679422
   0.37202144  0.64400097  0.85484264
   0.09726125  0.87731396  0.59268254
   0.39537429  0.99028408  0.65758633
   0.63244987  0.12255981  1.00059101
   0.81724635  0.13846780  0.33842003
   0.63023964  0.41331025  0.10282475
   0.89282607  0.31703737  0.15961424
   0.60872089  0.17733904  0.47731082
   0.91091962  0.12160379  0.90105908
   0.64358235  0.41833846  0.62009312
   0.76665235  0.37585275  0.81790081
   0.59292629  0.67018761 -0.01528222
   0.92861840  0.60170011  0.37101290
   0.56987947  0.89232646  0.14336129
   0.84085464  0.84504527  0.24067091
   0.67671721  0.69454594  0.48379607
   0.87622859  0.64367104  0.89091773
   0.66394406  0.92144908  0.59839135
   0.87391163  0.89623465  0.75351648
   0.10840372  0.07517056  0.16301156
   0.38503033  0.18994112  0.29536305
   0.18445601  0.37232595  0.00906518
   0.42391970  0.43572976  0.36333304
   0.55157826  0.36995693  0.20136309
   0.28816356  0.40440927  0.19641456
   0.17245925  0.15054676  0.41112962
  -0.10320444  0.18854093  0.44199109
   0.02125834 -0.03900571  0.50575563
   0.47546197  0.25377277  0.76142379
   0.08940884  0.20964058  0.58308522
   0.38571357  0.47594281  0.83297234
   0.48349634  0.46399636  0.65381346
   0.22275311  0.35349264  0.69945495
   0.29141153  0.20232690 -0.11268028
   0.04930631  0.16389386  0.95461766
   0.13980739  0.60907027  0.10662961
   0.37534884  0.67445902  0.27832764
   0.14360348  0.85788108  0.04702395
   0.34697754  0.94052694  0.35794203
   0.41805067  0.89653228  0.18819689
   0.16185990  0.83640498  0.24193056
   0.34736590  0.66532232  0.46114726
   0.09427690  0.60291473  0.39045435
   0.22569199  0.44966417  0.52385232
   0.29225690  0.69544928  0.75173433
   0.14616335  0.73109051  0.55834364
   0.38830276  1.00308824  0.77225100
   0.50964042  0.86923089  0.63346055
   0.24430540  0.94793594  0.62954495
   0.28646264  0.67166181 -0.05018915
   0.02909864  0.66588678  0.93809647
   0.60220627  0.03919367  0.10272503
   0.86632942  0.24379414  0.26271242
   0.61956471  0.29111528  0.01647521
   0.87708702  0.44683085  0.35843055
   0.03673514  0.39687902  0.17073568
   0.78386941  0.44473493  0.13783362
   0.65511126  0.17361853  0.36954084
   0.43994776  0.12832151  0.47177811
   0.68937006  0.07876552  0.55301104
   0.84708443  0.24242219  0.84284202
   0.63488167  0.32503473  0.52596224
   0.87200893  0.50361026  0.83853913
   0.97691338  0.46141630  0.61349640
   0.75163630  0.36036832  0.70619226
   0.79958712  0.08058010  0.97971014
   0.53951752  0.07156203  0.91546929
   0.55000613  0.54508417  0.05499852
   0.88007907  0.69254416  0.27969702
   0.56556239  0.79835702  0.04474264
   0.84396539  0.97939050  0.31253311
   0.92378105  0.88608887  0.14383510
   0.68043121  0.84419386  0.21552628
   0.84122321  0.68714750  0.45901410
   0.59755580  0.63113741  0.39046684
   0.70316943  0.57869488  0.58356924
   0.84367598  0.76473772  0.81409004
   0.61760506  0.84907592  0.47577615
   0.95746696  0.99347367  0.83038209
   0.99163330  0.85436829  0.67361895
   0.72944710  0.97450539  0.70880853
   0.76165852  0.66437547  0.97463784
   0.52865915  0.67245096  0.87497765
   0.76058223  0.79036436  0.60905469
   0.39165885  0.73815662  0.49993050
   0.89279147  0.22944074  0.07055135
   0.89916337  0.38573443  0.40799024
   0.45403921  0.11730403  0.63021450
   0.13473016  0.79594578  0.79146217
   0.19105296  1.12505427  0.17659791
   0.29022081  1.14589651  0.04776927
   0.62937290  0.40101350  0.86461513
   0.80891505  0.57379015  0.59089075
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.714713    0.185848   -0.132044
    -0.000000    9.858870    0.003442
    -0.000000    0.000000   13.991060
   Si   O    H 
    32    64    10
Direct configuration=  2985
   0.20322635  0.21384269 -0.01896672
   0.32790584  0.10405001  0.38077823
   0.17037552  0.43805459  0.11365057
   0.41480105  0.34757977  0.26287773
   0.04686916  0.13100699  0.48510573
   0.42443188  0.13231831  0.83481988
   0.11842972  0.38068341  0.61019447
   0.37983576  0.38956038  0.73523545
   0.14911127  0.70363131  0.01004166
   0.44561176  0.59834629  0.36883065
   0.08489643  0.91645683  0.14679805
   0.32138602  0.83427134  0.27006648
   0.18417374  0.60903058  0.48761441
   0.37147802  0.64359985  0.85449721
   0.09764252  0.87756788  0.59277336
   0.39527330  0.98959975  0.65747930
   0.63329620  0.12215091  1.00043671
   0.81669428  0.13991552  0.33791945
   0.63004109  0.41573134  0.10200497
   0.89369795  0.31621782  0.15919373
   0.60773733  0.17620722  0.47851780
   0.91275653  0.12144239  0.90205732
   0.64282421  0.41811325  0.62074037
   0.76789265  0.37619059  0.81840997
   0.59428455  0.67095773 -0.01559460
   0.92914985  0.60311484  0.37068669
   0.56968974  0.89308951  0.14219264
   0.84039680  0.84416837  0.23954831
   0.67753771  0.69379284  0.48353621
   0.87634768  0.64311657  0.89071820
   0.66211377  0.92082069  0.59846488
   0.87434194  0.89691238  0.75386263
   0.10972660  0.07562174  0.16464974
   0.38533986  0.18926607  0.29609204
   0.18622872  0.37278580  0.00883727
   0.42280140  0.43710901  0.36453697
   0.55053593  0.37068415  0.20139770
   0.28822504  0.40307079  0.19672379
   0.17316576  0.15092932  0.41050157
  -0.10294438  0.18815766  0.44096193
   0.02307354 -0.04022527  0.50623454
   0.47387745  0.25226916  0.76225510
   0.08865736  0.21026131  0.58159094
   0.38706075  0.47667315  0.83238794
   0.48553181  0.46436364  0.65497875
   0.22396216  0.35377881  0.69948189
   0.29168903  0.20263915 -0.11268269
   0.05231783  0.16435069  0.95442166
   0.14002692  0.61070491  0.10570803
   0.37527636  0.67463473  0.27915508
   0.14204929  0.85739612  0.04731686
   0.34648720  0.94167524  0.35888746
   0.41822162  0.89859659  0.18861007
   0.16380755  0.83684912  0.24225650
   0.34750741  0.66584514  0.46296766
   0.09447139  0.60296800  0.39042919
   0.22703624  0.44885150  0.52337359
   0.29259226  0.69620010  0.75182507
   0.14711123  0.73185526  0.55876102
   0.38725657  1.00185058  0.77218937
   0.50874667  0.86907962  0.63279712
   0.24330851  0.94681544  0.62987374
   0.28456171  0.67091115 -0.04983314
   0.03016852  0.66536191  0.93857197
   0.60346054  0.03936385  0.10220111
   0.86829613  0.24487337  0.26225459
   0.61931101  0.29101174  0.01718862
   0.87487604  0.44848172  0.35746597
   0.03706352  0.39605810  0.17088911
   0.78199955  0.44595995  0.13700632
   0.65475331  0.17313277  0.36873446
   0.44063433  0.12910602  0.47173406
   0.68990975  0.07910848  0.55152795
   0.84809341  0.24352003  0.84349112
   0.63459818  0.32542277  0.52609803
   0.87476487  0.50392825  0.83934638
   0.97777036  0.46065652  0.61297130
   0.75037288  0.36015475  0.70539135
   0.79886382  0.08209750  0.97856411
   0.53746984  0.07060317  0.91489094
   0.54899549  0.54419494  0.05408704
   0.87862820  0.69146441  0.27853330
   0.56555874  0.80056169  0.04545978
   0.84434516  0.97993970  0.31159406
   0.92552337  0.88589284  0.14292306
   0.68007510  0.84462873  0.21516232
   0.84023419  0.68588505  0.45920304
   0.59832490  0.63103547  0.39052290
   0.70373447  0.57942504  0.58394581
   0.84412426  0.76519748  0.81367883
   0.61822533  0.84804240  0.47698690
   0.95746181  0.99219101  0.82910978
   0.99171122  0.85352650  0.67537398
   0.72970301  0.97356187  0.70815428
   0.76181826  0.66284654  0.97449785
   0.52961006  0.67231039  0.87421112
   0.76189104  0.79156180  0.60961277
   0.39337611  0.73701715  0.49298480
   0.89141677  0.22934504  0.06959562
   0.90360892  0.38257813  0.41457117
   0.45683812  0.11928132  0.63251475
   0.13134374  0.79492948  0.79212769
   0.18605582  1.12164777  0.17608941
   0.28301588  1.14710585  0.04969440
   0.62543191  0.39940438  0.86008609
   0.80254161  0.57170496  0.59404741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.713065    0.183755   -0.132919
    -0.000000    9.857410    0.002888
    -0.000000    0.000000   13.991909
   Si   O    H 
    32    64    10
Direct configuration=  2986
   0.20349147  0.21467712 -0.01836862
   0.32866324  0.10341279  0.38133785
   0.17099347  0.43718553  0.11414734
   0.41495301  0.34793060  0.26363196
   0.04706849  0.13124173  0.48458981
   0.42398211  0.13164834  0.83499948
   0.11838655  0.38158228  0.61012282
   0.38081185  0.39110467  0.73605881
   0.14858043  0.70365746  0.00964414
   0.44447928  0.59771703  0.36938051
   0.08403906  0.91664257  0.14632501
   0.32126405  0.83317833  0.26935383
   0.18509859  0.60826571  0.48864297
   0.36997533  0.64327439  0.85393455
   0.09875000  0.87744884  0.59301392
   0.39531921  0.98865362  0.65776923
   0.63363662  0.12153427  1.00055727
   0.81657451  0.14071280  0.33787870
   0.62984488  0.41825453  0.10137560
   0.89427506  0.31561266  0.15859375
   0.60696579  0.17521575  0.47989429
   0.91479855  0.12087432  0.90243591
   0.64225325  0.41863076  0.62178226
   0.76885758  0.37679608  0.81870967
   0.59526237  0.67128785 -0.01574307
   0.92976791  0.60434582  0.37039650
   0.56974916  0.89371268  0.14046271
   0.84056336  0.84329302  0.23884218
   0.67857403  0.69336573  0.48356708
   0.87644059  0.64308881  0.89066310
   0.66075299  0.92009134  0.59840008
   0.87436867  0.89745141  0.75416962
   0.10989364  0.07508126  0.16557687
   0.38617036  0.18921866  0.29628246
   0.18791459  0.37355338  0.00859356
   0.42112829  0.43769859  0.36541237
   0.54965062  0.37170710  0.20131295
   0.28846010  0.40199460  0.19655880
   0.17456652  0.15197480  0.40985967
  -0.10194614  0.18748849  0.43987970
   0.02530974 -0.04093240  0.50602931
   0.47259260  0.25003737  0.76216905
   0.08787148  0.21128614  0.58065296
   0.38796593  0.47753522  0.83195692
   0.48730545  0.46424250  0.65616087
   0.22493893  0.35397046  0.69962787
   0.29221257  0.20279793 -0.11345288
   0.05503778  0.16528390  0.95470729
   0.14068748  0.61147674  0.10470121
   0.37527293  0.67417930  0.28033727
   0.14147900  0.85711658  0.04736747
   0.34598786  0.94295493  0.35997184
   0.41800537  0.90026169  0.18853197
   0.16559013  0.83752940  0.24232506
   0.34688684  0.66688277  0.46418444
   0.09478341  0.60272536  0.39106497
   0.22785897  0.44783791  0.52312371
   0.29196044  0.69776726  0.75272291
   0.14780196  0.73215664  0.55900722
   0.38698194  1.00140143  0.77287265
   0.50866068  0.86937466  0.63236109
   0.24208063  0.94623618  0.62968091
   0.28340615  0.67123916 -0.04898184
   0.03067922  0.66495858  0.93876599
   0.60481018  0.03915111  0.10152330
   0.87111548  0.24520166  0.26089999
   0.61906356  0.29068051  0.01779911
   0.87330354  0.44922448  0.35740024
   0.03702890  0.39489786  0.17107634
   0.78080837  0.44761992  0.13648179
   0.65497089  0.17264885  0.36780764
   0.44066076  0.13001069  0.47161562
   0.69057851  0.07919014  0.55025293
   0.84918464  0.24462014  0.84414153
   0.63400511  0.32587199  0.52548586
   0.87759815  0.50421126  0.84011403
   0.97839406  0.46043602  0.61264960
   0.74890670  0.36029715  0.70444731
   0.79824182  0.08352145  0.97721163
   0.53551683  0.07009514  0.91426460
   0.54880566  0.54339143  0.05269847
   0.87747236  0.69068618  0.27763156
   0.56512250  0.80235548  0.04554245
   0.84431229  0.98025631  0.31005721
   0.92716206  0.88567125  0.14269151
   0.67939561  0.84490124  0.21493251
   0.83959308  0.68477499  0.45945100
   0.59857606  0.63092966  0.39033291
   0.70378510  0.57923786  0.58419126
   0.84422804  0.76600252  0.81303428
   0.61863706  0.84779366  0.47832672
   0.95837144  0.99185192  0.82745707
   0.99129712  0.85235626  0.67696724
   0.72996692  0.97223715  0.70723575
   0.76202861  0.66152452  0.97449859
   0.53133431  0.67230526  0.87409906
   0.75957522  0.79683404  0.60810599
   0.40003940  0.74807131  0.49228835
   0.89075612  0.22905094  0.07142575
   0.90539199  0.38701351  0.41384418
   0.45767737  0.12585850  0.63188158
   0.13429680  0.78605585  0.79058961
   0.19645533  1.12689197  0.17851072
   0.27818134  1.14533224  0.05276924
   0.62632154  0.39549376  0.85616307
   0.80128900  0.57274400  0.59704883
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.711378    0.181713   -0.133681
    -0.000000    9.855604    0.002422
    -0.000000    0.000000   13.992335
   Si   O    H 
    32    64    10
Direct configuration=  2987
   0.20365193  0.21573722 -0.01759043
   0.32990689  0.10268689  0.38209640
   0.17155172  0.43740325  0.11493139
   0.41537423  0.34842827  0.26455720
   0.04787290  0.13125634  0.48401145
   0.42376048  0.13041864  0.83530691
   0.11798766  0.38190863  0.60987522
   0.38134583  0.39281393  0.73681511
   0.14694641  0.70367533  0.00928381
   0.44272161  0.59730696  0.36979907
   0.08363054  0.91663101  0.14587922
   0.32129196  0.83223459  0.26893938
   0.18622925  0.60748414  0.48992335
   0.36789354  0.64305591  0.85248800
   0.09992309  0.87742542  0.59331034
   0.39535056  0.98780319  0.65791278
   0.63388453  0.12106265  1.00079504
   0.81671423  0.14116312  0.33817193
   0.62953527  0.42000508  0.10083080
   0.89531972  0.31521078  0.15791861
   0.60570356  0.17479603  0.48097168
   0.91710177  0.11975780  0.90325794
   0.64151748  0.41966654  0.62284163
   0.76973540  0.37773505  0.81895164
   0.59622316  0.67203199 -0.01606849
   0.92957725  0.60585336  0.37060732
   0.56902115  0.89478681  0.13869255
   0.84072979  0.84255926  0.23827807
   0.67923427  0.69336516  0.48355170
   0.87686835  0.64400775  0.89044774
   0.65926725  0.91967912  0.59862439
   0.87402555  0.89831724  0.75423100
   0.10955067  0.07601223  0.16669829
   0.38703197  0.18956126  0.29536935
   0.18953782  0.37394009  0.00862906
   0.42081948  0.43784654  0.36578825
   0.54884248  0.37287455  0.20116825
   0.28805546  0.40112731  0.19652309
   0.17591188  0.15296220  0.40927625
  -0.10077671  0.18697887  0.43859723
   0.02759803 -0.04246077  0.50541992
   0.47053892  0.24848895  0.76231707
   0.08686992  0.21287218  0.57992583
   0.38863034  0.47882237  0.83155823
   0.48902536  0.46429554  0.65667651
   0.22725032  0.35356969  0.69986667
   0.29241346  0.20138930 -0.11454423
   0.05757866  0.16582560  0.95484136
   0.14146362  0.61129390  0.10372260
   0.37635759  0.67418967  0.28119691
   0.14029630  0.85636587  0.04720023
   0.34534419  0.94452420  0.36176956
   0.41779025  0.90178359  0.18793678
   0.16628618  0.83833547  0.24154186
   0.34743264  0.66836865  0.46486017
   0.09596708  0.60285787  0.39158908
   0.22830812  0.44740118  0.52256268
   0.29091177  0.69941482  0.75411438
   0.14874627  0.73176631  0.55945842
   0.38681315  1.00020441  0.77334783
   0.50820217  0.86965711  0.63200932
   0.24015526  0.94608512  0.62927881
   0.28259761  0.67258551 -0.04851645
   0.03197605  0.66425415  0.93913931
   0.60569728  0.03976242  0.10108053
   0.87210858  0.24484042  0.25907719
   0.61751701  0.28912882  0.01822846
   0.87242819  0.44923178  0.35788321
   0.03661342  0.39376662  0.17142598
   0.77949262  0.44855901  0.13534011
   0.65628339  0.17184553  0.36715841
   0.44075995  0.13043351  0.47174002
   0.69048733  0.07812425  0.54909874
   0.85117703  0.24574586  0.84454479
   0.63355313  0.32642964  0.52533391
   0.88031153  0.50350035  0.84043252
   0.97952037  0.45961500  0.61233990
   0.74737965  0.36030067  0.70360771
   0.79687937  0.08454712  0.97572813
   0.53344939  0.06947239  0.91382852
   0.54810291  0.54282714  0.05071617
   0.87721011  0.69052720  0.27709535
   0.56392094  0.80459309  0.04543458
   0.84343374  0.98042218  0.30935346
   0.92835528  0.88574296  0.14281814
   0.67863452  0.84479551  0.21468257
   0.83906522  0.68313991  0.45922659
   0.59905924  0.63083910  0.39033684
   0.70334388  0.57830689  0.58491155
   0.84357425  0.76630258  0.81232912
   0.61895949  0.84736364  0.47925243
   0.95940418  0.99167992  0.82668099
   0.99090694  0.85189068  0.67864073
   0.73010213  0.97103254  0.70636781
   0.76182718  0.66036587  0.97478254
   0.53298647  0.67275458  0.87393431
   0.75515836  0.80340763  0.60293762
   0.40043764  0.75623487  0.48906229
   0.88713858  0.23346549  0.07461864
   0.90166693  0.39394695  0.40684366
   0.45643891  0.12849694  0.62918300
   0.15091229  0.77285854  0.78724413
   0.20201548  1.12563112  0.18012537
   0.27617856  1.14201942  0.05673403
   0.62986156  0.39245559  0.85268970
   0.81252748  0.57454710  0.60204678
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.709723    0.179464   -0.134488
    -0.000000    9.853864    0.002332
    -0.000000    0.000000   13.992613
   Si   O    H 
    32    64    10
Direct configuration=  2988
   0.20352361  0.21741152 -0.01690546
   0.33125612  0.10204461  0.38338304
   0.17267673  0.43749391  0.11567677
   0.41451252  0.34822747  0.26549425
   0.04885624  0.13133542  0.48317640
   0.42373634  0.12925700  0.83591441
   0.11764092  0.38174359  0.60906150
   0.38216409  0.39480133  0.73718600
   0.14617589  0.70340431  0.00902582
   0.44114576  0.59713707  0.37018680
   0.08323972  0.91596459  0.14597346
   0.32175108  0.83163384  0.26883751
   0.18777881  0.60666808  0.49099415
   0.36563028  0.64332017  0.85127477
   0.10081680  0.87767731  0.59371933
   0.39490526  0.98764825  0.65770043
   0.63376442  0.12077136  1.00086521
   0.81636615  0.14149827  0.33885941
   0.62885262  0.42118236  0.10049640
   0.89614683  0.31562158  0.15761969
   0.60386470  0.17439920  0.48183892
   0.91980741  0.11787335  0.90379715
   0.64027983  0.42089273  0.62337550
   0.77027540  0.37830389  0.81911833
   0.59675968  0.67315798 -0.01635217
   0.92944801  0.60717393  0.37119381
   0.56843170  0.89606220  0.13692243
   0.84075168  0.84191608  0.23778151
   0.67954386  0.69349300  0.48335454
   0.87724025  0.64500915  0.89004708
   0.65797801  0.91914906  0.59860535
   0.87377216  0.89924617  0.75462081
   0.10944572  0.07830222  0.16810223
   0.38809643  0.19015612  0.29355396
   0.19025196  0.37448477  0.00896467
   0.42016015  0.43720575  0.36642232
   0.54784925  0.37353095  0.20080843
   0.28824625  0.40134373  0.19658318
   0.17645675  0.15368676  0.40878635
  -0.09941387  0.18675352  0.43732667
   0.02996728 -0.04302089  0.50421044
   0.46810016  0.24726279  0.76286076
   0.08590132  0.21472776  0.57885281
   0.38909353  0.48061241  0.83164362
   0.49056647  0.46410786  0.65615694
   0.22875623  0.35372880  0.69970909
   0.29281209  0.19997944 -0.11521786
   0.05946691  0.16640373  0.95484718
   0.14256334  0.60991872  0.10263403
   0.37722856  0.67443615  0.28139709
   0.13843237  0.85582742  0.04715059
   0.34516657  0.94523221  0.36296707
   0.41630426  0.90255009  0.18716349
   0.16587429  0.83890901  0.24088406
   0.34812179  0.66923503  0.46512326
   0.09672352  0.60288657  0.39158444
   0.22856025  0.44765732  0.52255014
   0.28893849  0.70092518  0.75562172
   0.14955809  0.73061949  0.55971058
   0.38604308  0.99941860  0.77375967
   0.50763586  0.86970397  0.63179261
   0.23783990  0.94542659  0.62878055
   0.28200924  0.67401151 -0.04841732
   0.03147728  0.66330848  0.93925475
   0.60688179  0.04084564  0.10074695
   0.87322023  0.24381903  0.25752920
   0.61584701  0.28774468  0.01886138
   0.87129373  0.45110053  0.35802534
   0.03635704  0.39170863  0.17145340
   0.77832903  0.44829477  0.13417288
   0.65772359  0.17108094  0.36709260
   0.43987146  0.13130506  0.47205637
   0.69014714  0.07727620  0.54889512
   0.85267589  0.24589053  0.84469726
   0.63315105  0.32754650  0.52544946
   0.88216213  0.50186603  0.84064682
   0.97935319  0.46030019  0.61198469
   0.74582131  0.36006641  0.70233952
   0.79430109  0.08494890  0.97471799
   0.53144869  0.06885813  0.91273380
   0.54740051  0.54216379  0.04863034
   0.87627687  0.69039193  0.27639832
   0.56277562  0.80610079  0.04548126
   0.84279676  0.98095093  0.30870385
   0.92834481  0.88595356  0.14321232
   0.67771267  0.84412719  0.21485282
   0.83916162  0.68126037  0.45889904
   0.59946455  0.63022229  0.39059176
   0.70275709  0.57761129  0.58589182
   0.84275215  0.76607215  0.81198565
   0.61909649  0.84705968  0.48010247
   0.96011326  0.99224784  0.82605380
   0.99057886  0.85180995  0.67985363
   0.73154595  0.97024211  0.70625357
   0.76169977  0.65931850  0.97530943
   0.53430279  0.67343750  0.87376875
   0.75061392  0.81057256  0.59847011
   0.39741268  0.75810986  0.48601794
   0.88450379  0.23540569  0.07846535
   0.90182946  0.39172682  0.40766157
   0.45353802  0.12484171  0.62870051
   0.18043493  0.75526133  0.77842865
   0.19604980  1.11650758  0.18003346
   0.27534845  1.14038980  0.06031965
   0.63467624  0.39163461  0.85215601
   0.81651681  0.58179745  0.60547347
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.708096    0.177253   -0.135432
    -0.000000    9.852155    0.002022
    -0.000000    0.000000   13.992895
   Si   O    H 
    32    64    10
Direct configuration=  2989
   0.20347128  0.21874812 -0.01633747
   0.33304831  0.10141432  0.38420313
   0.17394131  0.43760147  0.11705745
   0.41352090  0.34798877  0.26617763
   0.04917173  0.13164188  0.48207089
   0.42364343  0.12794867  0.83653681
   0.11769687  0.38120478  0.60792418
   0.38257401  0.39609723  0.73728603
   0.14566044  0.70306636  0.00881063
   0.43990242  0.59711238  0.37048576
   0.08346102  0.91577330  0.14620354
   0.32261305  0.83095529  0.26864213
   0.18898417  0.60565349  0.49182964
   0.36313157  0.64291334  0.85052383
   0.10169970  0.87776310  0.59401921
   0.39413365  0.98790759  0.65740642
   0.63383898  0.12004039  1.00062604
   0.81632779  0.14167132  0.33890319
   0.62840375  0.42218446  0.10018486
   0.89671454  0.31720322  0.15762394
   0.60297284  0.17396956  0.48232628
   0.92258130  0.11601859  0.90385064
   0.63917692  0.42218734  0.62355697
   0.77094480  0.37894498  0.81885982
   0.59737775  0.67387271 -0.01652797
   0.92942606  0.60961030  0.37167477
   0.56783070  0.89665411  0.13553073
   0.84118124  0.84137655  0.23718238
   0.67989143  0.69302383  0.48302343
   0.87779453  0.64622241  0.89010831
   0.65713081  0.91963126  0.59805612
   0.87293039  0.90019930  0.75511983
   0.10916470  0.08057443  0.16884666
   0.38842685  0.19071079  0.29185631
   0.19105526  0.37548842  0.00936282
   0.41967092  0.43705615  0.36737017
   0.54717444  0.37388938  0.19999000
   0.28840262  0.40095687  0.19672218
   0.17656160  0.15425161  0.40860637
  -0.09813665  0.18619689  0.43566943
   0.03200456 -0.04232465  0.50310443
   0.46573840  0.24594721  0.76282884
   0.08584796  0.21741038  0.57801808
   0.38923821  0.48259915  0.83196259
   0.49155704  0.46369403  0.65558409
   0.23058106  0.35362362  0.69954287
   0.29353709  0.19902595 -0.11551403
   0.05941922  0.16628748  0.95465410
   0.14331090  0.60854695  0.10125693
   0.37780817  0.67532832  0.28143290
   0.13659487  0.85573241  0.04706259
   0.34539057  0.94521891  0.36388708
   0.41432561  0.90332586  0.18661932
   0.16474523  0.84014147  0.23989140
   0.34916671  0.66913397  0.46572601
   0.09757932  0.60301003  0.39147412
   0.22807278  0.44864852  0.52315406
   0.28636581  0.70352059  0.75725269
   0.14925677  0.72990393  0.56009037
   0.38581976  0.99870100  0.77413700
   0.50642934  0.86983673  0.63184170
   0.23552892  0.94566263  0.62840030
   0.28121787  0.67509057 -0.04867831
   0.03076277  0.66208887  0.93947444
   0.60801158  0.04196864  0.10044285
   0.87356701  0.24248320  0.25601647
   0.61407158  0.28620264  0.01935885
   0.87037466  0.45345900  0.35871217
   0.03643136  0.39042410  0.17128514
   0.77760971  0.44732820  0.13332093
   0.65904317  0.16985903  0.36755642
   0.43926755  0.13282265  0.47203781
   0.68984866  0.07614859  0.54802115
   0.85500690  0.24502698  0.84500305
   0.63260395  0.32862655  0.52514856
   0.88375604  0.49990653  0.84070972
   0.97921163  0.46187454  0.61100433
   0.74462597  0.35975601  0.70113928
   0.79034290  0.08471855  0.97359021
   0.53014758  0.06812876  0.91202367
   0.54710946  0.54214698  0.04644545
   0.87646119  0.69088882  0.27545260
   0.56171845  0.80792934  0.04538210
   0.84275807  0.98202863  0.30817484
   0.92737069  0.88638289  0.14368435
   0.67689427  0.84377149  0.21484430
   0.84029245  0.67962053  0.45884741
   0.59962391  0.62894134  0.39077764
   0.70299700  0.57602404  0.58656048
   0.84156817  0.76452777  0.81203775
   0.61898263  0.84676253  0.48079698
   0.96075679  0.99362004  0.82609769
   0.98983836  0.85189673  0.68104519
   0.73297685  0.96969408  0.70610596
   0.76192302  0.65811652  0.97598694
   0.53458638  0.67401194  0.87377028
   0.75227781  0.81388169  0.59426569
   0.38709851  0.75865332  0.48226507
   0.88303698  0.23484138  0.07665819
   0.90348094  0.38658782  0.41173619
   0.44973269  0.11959045  0.62942775
   0.21886279  0.73338001  0.76867473
   0.19453597  1.10912156  0.18029459
   0.27823245  1.13922894  0.06045236
   0.63503640  0.39291936  0.85333884
   0.81065563  0.58920469  0.60700984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.706256    0.175127   -0.136484
    -0.000000    9.850504    0.002583
    -0.000000    0.000000   13.993124
   Si   O    H 
    32    64    10
Direct configuration=  2990
   0.20357755  0.21921586 -0.01599942
   0.33409821  0.10095869  0.38466358
   0.17483575  0.43830408  0.11812013
   0.41275654  0.34776291  0.26632779
   0.04988325  0.13153083  0.48092812
   0.42318763  0.12730380  0.83647434
   0.11826294  0.38029265  0.60678071
   0.38383756  0.39630062  0.73737406
   0.14511999  0.70217527  0.00917783
   0.43859522  0.59731211  0.37081715
   0.08366109  0.91543393  0.14637722
   0.32378835  0.83107865  0.26931808
   0.19000678  0.60472094  0.49253850
   0.36046958  0.64211636  0.84992051
   0.10150491  0.87728043  0.59445696
   0.39272890  0.98869000  0.65749409
   0.63357207  0.11996752  0.99984887
   0.81631540  0.14228389  0.33883849
   0.62760295  0.42228686  0.09978993
   0.89688302  0.31875598  0.15745678
   0.60243275  0.17383356  0.48256542
   0.92465354  0.11390135  0.90381158
   0.63811878  0.42350221  0.62365482
   0.77205758  0.37956643  0.81858586
   0.59823163  0.67519328 -0.01686189
   0.92846451  0.61097819  0.37183678
   0.56656285  0.89733409  0.13460987
   0.84081645  0.84164905  0.23694542
   0.67990533  0.69268958  0.48286098
   0.87843851  0.64758778  0.88988424
   0.65670064  0.92051113  0.59678771
   0.87252703  0.90071604  0.75560166
   0.10710256  0.08181071  0.16904426
   0.38838822  0.19127029  0.29030325
   0.19144441  0.37704168  0.00971375
   0.41934325  0.43702215  0.36774862
   0.54649467  0.37367960  0.19889578
   0.28823935  0.40078429  0.19644975
   0.17616592  0.15405685  0.40834650
  -0.09563789  0.18552623  0.43414995
   0.03400356 -0.04180140  0.50235949
   0.46385701  0.24496275  0.76277471
   0.08639126  0.22048513  0.57692517
   0.38868436  0.48571450  0.83219623
   0.49177248  0.46363149  0.65550753
   0.23132901  0.35327468  0.69910487
   0.29373406  0.19804638 -0.11520234
   0.05889102  0.16583314  0.95413186
   0.14510416  0.60634463  0.10020260
   0.37851733  0.67597863  0.28146879
   0.13509352  0.85581568  0.04637262
   0.34566832  0.94502372  0.36413817
   0.41298877  0.90455477  0.18629126
   0.16360465  0.84078565  0.23869406
   0.34989583  0.66893598  0.46578658
   0.09846939  0.60422983  0.39203283
   0.22756672  0.45025349  0.52393485
   0.28852259  0.70332625  0.75791744
   0.14954725  0.72909783  0.55985299
   0.38594961  0.99784397  0.77439970
   0.50444487  0.87001907  0.63163894
   0.23386271  0.94703474  0.62899884
   0.28122037  0.67602748 -0.04935718
   0.02975507  0.66144013  0.93957692
   0.60947521  0.04305780  0.10052098
   0.87339696  0.24114029  0.25450149
   0.61272973  0.28461761  0.01976312
   0.87084060  0.45529783  0.35984881
   0.03755853  0.38957118  0.17100458
   0.77824364  0.44676917  0.13308767
   0.65998084  0.16905442  0.36825623
   0.43870769  0.13331052  0.47203264
   0.68996889  0.07427806  0.54749152
   0.85731817  0.24315446  0.84568090
   0.63188274  0.32985418  0.52535462
   0.88507868  0.49804749  0.84049406
   0.97817382  0.46483358  0.61030447
   0.74400044  0.36012125  0.70002792
   0.78752680  0.08400806  0.97250384
   0.52934309  0.06800604  0.91207011
   0.54656043  0.54188269  0.04440021
   0.87721417  0.69080995  0.27446505
   0.56011647  0.80922518  0.04451734
   0.84296906  0.98281370  0.30690817
   0.92580812  0.88628288  0.14441992
   0.67584533  0.84324417  0.21493896
   0.84208968  0.67854270  0.45893718
   0.59976342  0.62671843  0.39075479
   0.70303186  0.57533417  0.58683391
   0.83980920  0.76249588  0.81196085
   0.61917519  0.84656618  0.48162306
   0.96177991  0.99504883  0.82705312
   0.99047360  0.85197525  0.68239362
   0.73411525  0.96949385  0.70617414
   0.76267857  0.65758210  0.97668046
   0.53428635  0.67464095  0.87398608
   0.76237766  0.80980748  0.58786242
   0.38157178  0.76287214  0.48049011
   0.88449165  0.23017635  0.07374511
   0.90190950  0.38577376  0.41298173
   0.44571738  0.11294303  0.62884741
   0.17737335  0.74564648  0.76905758
   0.20881395  1.10893045  0.18261134
   0.27640228  1.13773067  0.06004071
   0.63210051  0.39812795  0.85467676
   0.79879306  0.59340464  0.60538480
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.704302    0.173026   -0.137419
    -0.000000    9.848926    0.002510
    -0.000000    0.000000   13.993407
   Si   O    H 
    32    64    10
Direct configuration=  2991
   0.20372953  0.21923880 -0.01583895
   0.33492198  0.10092376  0.38495264
   0.17525476  0.43925728  0.11893726
   0.41232282  0.34713916  0.26612546
   0.05080250  0.13133156  0.47998947
   0.42288718  0.12682292  0.83605135
   0.11921321  0.37932421  0.60563159
   0.38498668  0.39580368  0.73726073
   0.14465669  0.70107294  0.00911563
   0.43762131  0.59760001  0.37133590
   0.08438052  0.91526610  0.14648120
   0.32514312  0.83161569  0.26994481
   0.19113253  0.60361922  0.49334006
   0.35824469  0.64139555  0.84919905
   0.10109531  0.87685593  0.59475622
   0.39087923  0.98878728  0.65777626
   0.63347791  0.11927083  0.99920050
   0.81667855  0.14309492  0.33838342
   0.62656402  0.42196045  0.09928701
   0.89638788  0.32034810  0.15744495
   0.60230596  0.17371933  0.48241357
   0.92634542  0.11233570  0.90368577
   0.63724902  0.42437312  0.62356604
   0.77347730  0.38004782  0.81825644
   0.59856174  0.67641717 -0.01771713
   0.92691803  0.61153061  0.37157231
   0.56527106  0.89808392  0.13421607
   0.84011864  0.84228206  0.23694841
   0.68010775  0.69238937  0.48285415
   0.87920082  0.64920033  0.89013722
   0.65692350  0.92124659  0.59524476
   0.87231872  0.90081508  0.75598996
   0.10606431  0.08259590  0.16944733
   0.38873145  0.19250335  0.28896434
   0.19157488  0.37812302  0.01062704
   0.41950763  0.43707625  0.36763291
   0.54650732  0.37398189  0.19820764
   0.28776382  0.40079277  0.19570290
   0.17636454  0.15415083  0.40811923
  -0.09344386  0.18461353  0.43238876
   0.03626409 -0.04070058  0.50192810
   0.46273435  0.24438979  0.76257885
   0.08721269  0.22319122  0.57584696
   0.38705534  0.48867881  0.83242190
   0.49082285  0.46385050  0.65566979
   0.23191795  0.35331006  0.69893416
   0.29436698  0.19774803 -0.11460301
   0.05895224  0.16464312  0.95434027
   0.14676608  0.60360708  0.09939271
   0.37951351  0.67686788  0.28163271
   0.13322645  0.85583383  0.04594366
   0.34553972  0.94419532  0.36463919
   0.41184491  0.90532224  0.18614631
   0.16250393  0.84156949  0.23769275
   0.35034643  0.66846331  0.46554837
   0.09914868  0.60527361  0.39228560
   0.22617905  0.45151659  0.52489773
   0.28809969  0.70465562  0.75799258
   0.14955433  0.72825815  0.55900798
   0.38481597  0.99666829  0.77443622
   0.50303563  0.87048449  0.63149596
   0.23376575  0.94894055  0.62936459
   0.28174659  0.67672775 -0.05066067
   0.02902801  0.66079446  0.93899988
   0.61105813  0.04490051  0.10114076
   0.87291947  0.24015833  0.25382541
   0.61192817  0.28246476  0.02007147
   0.87228212  0.45577728  0.36078115
   0.03944990  0.38848401  0.17048990
   0.77893667  0.44658077  0.13298519
   0.66059713  0.16776746  0.36899285
   0.43833111  0.13357595  0.47246015
   0.69053383  0.07219491  0.54761678
   0.85936687  0.24139008  0.84603745
   0.63143225  0.33081075  0.52603529
   0.88549835  0.49667942  0.84074269
   0.97713770  0.46765814  0.60933532
   0.74244964  0.36014759  0.69960358
   0.78571007  0.08322231  0.97145901
   0.53031205  0.06769447  0.91241349
   0.54605142  0.54198366  0.04159116
   0.87811664  0.69054661  0.27354292
   0.55875873  0.80977058  0.04364451
   0.84392468  0.98346571  0.30601726
   0.92398640  0.88625348  0.14514555
   0.67475481  0.84249275  0.21483352
   0.84367487  0.67794424  0.45890903
   0.60021453  0.62446156  0.39069521
   0.70245491  0.57406046  0.58692795
   0.83831926  0.75972556  0.81143950
   0.61884016  0.84650423  0.48228350
   0.96297222  0.99636665  0.82813128
   0.99114423  0.85104785  0.68345661
   0.73485340  0.96947447  0.70576223
   0.76425676  0.65738757  0.97710044
   0.53329445  0.67431508  0.87430842
   0.77307285  0.80864232  0.57874211
   0.37505457  0.76964825  0.48110877
   0.88502271  0.22543394  0.07344017
   0.89748629  0.39159952  0.41127221
   0.44512956  0.11366563  0.62811609
   0.15625684  0.75378365  0.76636684
   0.21113900  1.10548163  0.18376406
   0.27721356  1.14075709  0.05808652
   0.62828287  0.40374204  0.85844051
   0.79299036  0.59291417  0.60538919
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.702586    0.171521   -0.138797
    -0.000000    9.847603    0.002931
    -0.000000    0.000000   13.993903
   Si   O    H 
    32    64    10
Direct configuration=  2992
   0.20411881  0.21843461 -0.01588013
   0.33595879  0.10138218  0.38507680
   0.17503949  0.44007038  0.11955572
   0.41160194  0.34698311  0.26624940
   0.05139177  0.13096732  0.47960982
   0.42214809  0.12603718  0.83535709
   0.12023619  0.37932247  0.60474232
   0.38503827  0.39464253  0.73734448
   0.14464202  0.70001368  0.00903813
   0.43734430  0.59823602  0.37178672
   0.08502988  0.91498130  0.14656501
   0.32593841  0.83252774  0.27014361
   0.19194439  0.60238506  0.49409146
   0.35695895  0.64128013  0.84858592
   0.10080570  0.87660266  0.59522542
   0.38891059  0.98864194  0.65824287
   0.63336300  0.11910121  0.99820663
   0.81731949  0.14366965  0.33744958
   0.62571853  0.42125657  0.09832095
   0.89561207  0.32149760  0.15753643
   0.60219765  0.17405138  0.48226985
   0.92757285  0.11138250  0.90394012
   0.63634116  0.42489977  0.62312920
   0.77454360  0.38038155  0.81821527
   0.59909678  0.67723253 -0.01849126
   0.92557149  0.61162519  0.37126696
   0.56392891  0.89881503  0.13426353
   0.83918809  0.84342436  0.23701918
   0.68058752  0.69190238  0.48221688
   0.87932778  0.64974876  0.89048429
   0.65779802  0.92197036  0.59445067
   0.87192146  0.90175998  0.75592739
   0.10502006  0.08263945  0.16971898
   0.38943906  0.19372893  0.28825759
   0.19201057  0.37856430  0.01161653
   0.42037013  0.43698972  0.36739646
   0.54603426  0.37475636  0.19792571
   0.28846900  0.40029860  0.19477324
   0.17734867  0.15478240  0.40705631
  -0.09089923  0.18351951  0.43081272
   0.03750353 -0.03944808  0.50171991
   0.46223545  0.24443740  0.76219566
   0.08768225  0.22580013  0.57527239
   0.38527521  0.48995057  0.83223648
   0.48930546  0.46445326  0.65632748
   0.23210142  0.35367480  0.69890901
   0.29409894  0.19682050 -0.11337831
   0.05917985  0.16301144  0.95479891
   0.14918086  0.60067066  0.09949833
   0.38035330  0.67849882  0.28176174
   0.13191764  0.85584934  0.04573053
   0.34434090  0.94308794  0.36526316
   0.41033931  0.90594734  0.18575620
   0.16206396  0.84195175  0.23664106
   0.35070573  0.66861556  0.46558127
   0.09920935  0.60600213  0.39255474
   0.22531548  0.45258594  0.52561131
   0.28616108  0.70603640  0.75737475
   0.14933333  0.72720950  0.55826274
   0.38394877  0.99462265  0.77410191
   0.50156424  0.87078636  0.63144340
   0.23356877  0.95144508  0.62908671
   0.28207014  0.67677934 -0.05209672
   0.02729816  0.65995836  0.93820185
   0.61146273  0.04645120  0.10262417
   0.87237697  0.23894372  0.25332008
   0.61100449  0.28066497  0.02023546
   0.87294911  0.45571430  0.36123645
   0.04146767  0.38812687  0.17010343
   0.78109452  0.44611681  0.13287853
   0.66138864  0.16694224  0.37027228
   0.43824662  0.13425681  0.47282305
   0.69129662  0.07060676  0.54820480
   0.86046173  0.24025273  0.84603230
   0.62974513  0.33091278  0.52661131
   0.88634022  0.49509463  0.84103240
   0.97561137  0.46983767  0.60805197
   0.74170310  0.36023503  0.69977545
   0.78518870  0.08207745  0.96989773
   0.53171310  0.06754765  0.91355445
   0.54494768  0.54250195  0.03924855
   0.87873846  0.69104471  0.27269074
   0.55711579  0.81029859  0.04255950
   0.84469926  0.98373182  0.30512238
   0.92147453  0.88533310  0.14578670
   0.67318673  0.84100735  0.21423878
   0.84526289  0.67843307  0.45898012
   0.59963621  0.62243120  0.39060131
   0.70071743  0.57339216  0.58671664
   0.83681433  0.75759523  0.81095374
   0.61874744  0.84664482  0.48269848
   0.96396325  0.99729779  0.82857687
   0.99197439  0.85028068  0.68414850
   0.73538928  0.96945171  0.70533418
   0.76560233  0.65714442  0.97734993
   0.53218091  0.67407458  0.87512868
   0.77933630  0.80990670  0.57511952
   0.36458152  0.77315736  0.48109474
   0.88873404  0.22517680  0.07687335
   0.89322747  0.39605621  0.41059952
   0.44453738  0.12028263  0.62807062
   0.14949906  0.75293101  0.76153362
   0.20279462  1.09602068  0.18361557
   0.28139920  1.14480638  0.05538829
   0.63048465  0.40816439  0.85897991
   0.79881506  0.59347447  0.60898582
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.700830    0.169854   -0.139690
    -0.000000    9.846321    0.003329
    -0.000000    0.000000   13.994077
   Si   O    H 
    32    64    10
Direct configuration=  2993
   0.20460347  0.21891576 -0.01615318
   0.33718141  0.10248023  0.38455279
   0.17426426  0.44150192  0.11976353
   0.41148775  0.34673445  0.26632788
   0.05216868  0.13060369  0.47972819
   0.42281122  0.12585930  0.83497579
   0.12114135  0.37976588  0.60388116
   0.38553882  0.39373576  0.73733053
   0.14517126  0.69854394  0.00931151
   0.43743696  0.59854481  0.37200341
   0.08541375  0.91573641  0.14664647
   0.32655026  0.83376061  0.27064587
   0.19257521  0.60200137  0.49459340
   0.35620195  0.64155590  0.84882507
   0.10097021  0.87600980  0.59599164
   0.38749356  0.98855662  0.65859918
   0.63290315  0.11937575  0.99792907
   0.81755974  0.14407181  0.33649718
   0.62425845  0.42008337  0.09738070
   0.89489438  0.32229997  0.15735424
   0.60210011  0.17439899  0.48160782
   0.92878241  0.11052572  0.90415007
   0.63584947  0.42524823  0.62228558
   0.77528932  0.38048130  0.81803512
   0.59961645  0.67767662 -0.01943022
   0.92465905  0.61138337  0.37084910
   0.56269301  0.89961068  0.13439396
   0.83794323  0.84441632  0.23712903
   0.68106881  0.69077583  0.48149239
   0.87970241  0.64974850  0.89104484
   0.65902691  0.92283814  0.59425263
   0.87168641  0.90223002  0.75612853
   0.10361381  0.08297345  0.16954660
   0.39044396  0.19411072  0.28807462
   0.19230941  0.37956050  0.01297931
   0.42089895  0.43651840  0.36759218
   0.54574107  0.37526250  0.19775087
   0.28948657  0.39881559  0.19445115
   0.17913812  0.15545428  0.40667884
  -0.08744322  0.18339072  0.42962085
   0.03818865 -0.03729127  0.50149888
   0.46201903  0.24545092  0.76128222
   0.08844052  0.22820742  0.57479520
   0.38483103  0.48980593  0.83172896
   0.48742356  0.46480573  0.65727239
   0.23113556  0.35506466  0.69867924
   0.29357017  0.19579061 -0.11213784
   0.05928793  0.16207143  0.95537021
   0.15123345  0.59787339  0.10050154
   0.38082444  0.68011668  0.28220776
   0.13048333  0.85664634  0.04517644
   0.34273075  0.94229316  0.36541118
   0.40932994  0.90631398  0.18537570
   0.16184779  0.84229528  0.23577181
   0.35094907  0.66851077  0.46585087
   0.09960097  0.60585309  0.39268668
   0.22492734  0.45312261  0.52640578
   0.28332403  0.70756336  0.75683071
   0.14901660  0.72543828  0.55740111
   0.38288364  0.99331816  0.77431484
   0.50084108  0.87157007  0.63191138
   0.23364233  0.95429724  0.62898336
   0.28208441  0.67685640 -0.05356855
   0.02556483  0.65922443  0.93721557
   0.61247866  0.04842771  0.10394377
   0.87239164  0.23755297  0.25306751
   0.61043280  0.27977200  0.02037142
   0.87361620  0.45613720  0.36125930
   0.04344969  0.38780520  0.16930573
   0.78310263  0.44559254  0.13296825
   0.66291450  0.16649821  0.37178005
   0.43862976  0.13474459  0.47347602
   0.69193679  0.06960364  0.54832566
   0.86088614  0.23895258  0.84599297
   0.62819295  0.33107133  0.52740072
   0.88593242  0.49505473  0.84199276
   0.97503125  0.47173312  0.60676189
   0.74118617  0.36060398  0.70030474
   0.78628969  0.08108115  0.96883226
   0.53372228  0.06668056  0.91441897
   0.54421520  0.54342991  0.03715542
   0.87981379  0.69168794  0.27129197
   0.55650113  0.81038557  0.04161526
   0.84579838  0.98332301  0.30518867
   0.91921888  0.88494924  0.14598345
   0.67138208  0.83943001  0.21421578
   0.84661455  0.67908491  0.45904677
   0.59947670  0.62120824  0.39106631
   0.69816490  0.57306767  0.58646914
   0.83566950  0.75611960  0.81013619
   0.61862286  0.84654829  0.48267979
   0.96505879  0.99748961  0.82855993
   0.99217422  0.84973635  0.68461968
   0.73628404  0.97012385  0.70524146
   0.76707092  0.65751351  0.97768699
   0.53046194  0.67365987  0.87602685
   0.78199834  0.81210465  0.57415267
   0.35758037  0.77377641  0.48169335
   0.89519881  0.22922105  0.08233727
   0.89261136  0.39437807  0.41669133
   0.44508142  0.12556368  0.62816163
   0.15826907  0.74646431  0.75640604
   0.19538053  1.08965611  0.18248962
   0.28579928  1.14878437  0.05298123
   0.63297774  0.41161022  0.85968835
   0.80125688  0.59483247  0.61275980
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.699334    0.168290   -0.140550
    -0.000000    9.844995    0.003189
    -0.000000    0.000000   13.994656
   Si   O    H 
    32    64    10
Direct configuration=  2994
   0.20513172  0.21932085 -0.01673070
   0.33864946  0.10378184  0.38350359
   0.17253332  0.44212334  0.11989226
   0.41153033  0.34734991  0.26594463
   0.05308942  0.13024767  0.47979857
   0.42336776  0.12616784  0.83459533
   0.12152846  0.38056103  0.60314243
   0.38607136  0.39333398  0.73744584
   0.14549568  0.69809257  0.00937990
   0.43814059  0.59863674  0.37236198
   0.08541968  0.91627663  0.14679226
   0.32629382  0.83526983  0.27103671
   0.19226042  0.60165034  0.49485953
   0.35559365  0.64213869  0.84938298
   0.10102897  0.87519840  0.59650558
   0.38667638  0.98836161  0.65909563
   0.63215077  0.11957835  0.99797510
   0.81805420  0.14421164  0.33574283
   0.62286623  0.41900340  0.09637016
   0.89418362  0.32355200  0.15725290
   0.60204487  0.17463582  0.48109442
   0.92920414  0.10987038  0.90439613
   0.63499135  0.42571593  0.62138733
   0.77546253  0.38046157  0.81823320
   0.60023787  0.67796375 -0.02068083
   0.92380185  0.61156228  0.37027002
   0.56167968  0.90120730  0.13426235
   0.83621549  0.84602235  0.23754803
   0.68165382  0.69023554  0.48090253
   0.87909744  0.64922205  0.89150219
   0.66055095  0.92276540  0.59424971
   0.87113919  0.90126385  0.75631474
   0.10166580  0.08257446  0.16894518
   0.39089281  0.19344082  0.28872724
   0.19267730  0.38002581  0.01426060
   0.42183298  0.43586875  0.36800653
   0.54615545  0.37616157  0.19753341
   0.29022833  0.39757313  0.19406542
   0.18158648  0.15578230  0.40609297
  -0.08464425  0.18260441  0.42847485
   0.03919007 -0.03493710  0.50125403
   0.46108272  0.24743375  0.76044796
   0.08941160  0.22982673  0.57392498
   0.38445175  0.48848297  0.83109723
   0.48469244  0.46404860  0.65830050
   0.23024105  0.35734805  0.69820054
   0.29282423  0.19572348 -0.11099168
   0.05944755  0.16098863  0.95607942
   0.15347334  0.59664307  0.10185190
   0.38115609  0.68105687  0.28270629
   0.12978052  0.85722622  0.04525265
   0.34122846  0.94078192  0.36530163
   0.40758333  0.90639397  0.18520808
   0.16140912  0.84310370  0.23528757
   0.35119847  0.66869672  0.46640018
   0.09963086  0.60549885  0.39298125
   0.22442725  0.45332461  0.52696142
   0.27895752  0.70982525  0.75627175
   0.14945342  0.72389894  0.55657321
   0.38224578  0.99153878  0.77520691
   0.50052824  0.87181428  0.63223294
   0.23296297  0.95727525  0.62880227
   0.28239779  0.67765115 -0.05433202
   0.02340174  0.65853458  0.93614640
   0.61337756  0.05010241  0.10514273
   0.87310823  0.23577740  0.25312969
   0.61004018  0.27973098  0.02088999
   0.87393434  0.45683795  0.36128905
   0.04363522  0.38663846  0.16900155
   0.78415730  0.44503965  0.13328911
   0.66386638  0.16682450  0.37337868
   0.43844740  0.13495707  0.47368108
   0.69232878  0.06848838  0.54762036
   0.86122582  0.23782198  0.84602658
   0.62678362  0.33091478  0.52792481
   0.88520876  0.49541754  0.84339723
   0.97479853  0.47440589  0.60607932
   0.74071349  0.36070959  0.70058204
   0.78833355  0.08089520  0.96819670
   0.53556221  0.06662899  0.91517430
   0.54341688  0.54323528  0.03553070
   0.88028765  0.69242798  0.27000088
   0.55583799  0.81041096  0.04111841
   0.84695563  0.98335157  0.30536558
   0.91720130  0.88423174  0.14608158
   0.66994875  0.83786094  0.21371161
   0.84705521  0.68059519  0.45862373
   0.59928181  0.62018788  0.39150920
   0.69600374  0.57369492  0.58599957
   0.83471117  0.75552003  0.80941350
   0.61859661  0.84670953  0.48211935
   0.96619707  0.99837436  0.82887636
   0.99307535  0.84975085  0.68478342
   0.73664004  0.97070253  0.70509702
   0.76852689  0.65864459  0.97829120
   0.52765010  0.67388533  0.87725878
   0.77977554  0.81864352  0.57794338
   0.34884622  0.76715857  0.48050422
   0.90122782  0.23120341  0.08294042
   0.89390300  0.39114225  0.42085012
   0.44467068  0.12565765  0.62866654
   0.18456164  0.73023538  0.75347930
   0.20456054  1.08540312  0.18520214
   0.29354814  1.14881292  0.05558815
   0.63971296  0.41278964  0.86085566
   0.79750292  0.59162856  0.61168417
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.697807    0.167081   -0.141421
    -0.000000    9.843816    0.003397
    -0.000000    0.000000   13.995171
   Si   O    H 
    32    64    10
Direct configuration=  2995
   0.20521806  0.21996060 -0.01686569
   0.34010237  0.10485840  0.38281444
   0.17058116  0.44259172  0.12001747
   0.41211387  0.34852977  0.26559166
   0.05466809  0.12961737  0.47939239
   0.42363984  0.12609529  0.83446055
   0.12206930  0.38175185  0.60277370
   0.38612130  0.39218172  0.73747796
   0.14647305  0.69771713  0.00957428
   0.43852430  0.59866052  0.37240424
   0.08551460  0.91711054  0.14726770
   0.32624643  0.83706055  0.27116364
   0.19169409  0.60060811  0.49527790
   0.35574609  0.64333977  0.84993078
   0.10087974  0.87468558  0.59703648
   0.38633150  0.98817772  0.65941395
   0.63181418  0.11983151  0.99836002
   0.81892970  0.14432714  0.33524729
   0.62105119  0.41768376  0.09530763
   0.89322548  0.32449093  0.15721423
   0.60186138  0.17426065  0.48103911
   0.92960575  0.10938250  0.90460156
   0.63401770  0.42571266  0.62086550
   0.77530432  0.38041346  0.81804440
   0.60078515  0.67799761 -0.02198403
   0.92387045  0.61156377  0.36975832
   0.56086541  0.90229767  0.13454115
   0.83461736  0.84774307  0.23790492
   0.68273760  0.69008357  0.47936761
   0.87866705  0.64869091  0.89203891
   0.66147462  0.92278752  0.59406815
   0.87078469  0.90138859  0.75677922
   0.10044854  0.08137386  0.16796347
   0.39136296  0.19220936  0.28973240
   0.19303310  0.38001770  0.01435189
   0.42137199  0.43501809  0.36807617
   0.54705218  0.37761522  0.19782244
   0.29109308  0.39677444  0.19411784
   0.18347129  0.15598334  0.40550092
  -0.08237996  0.18229945  0.42738549
   0.04077265 -0.03290008  0.50113419
   0.45960667  0.24992962  0.75949684
   0.08945262  0.23037921  0.57280195
   0.38335531  0.48630481  0.83057127
   0.48218232  0.46304394  0.65944642
   0.22932147  0.35899507  0.69816159
   0.29257232  0.19562786 -0.11036175
   0.05977096  0.16003400  0.95668153
   0.15576316  0.59652836  0.10295640
   0.38130944  0.68226863  0.28305448
   0.12845835  0.85696995  0.04539290
   0.33995704  0.93805761  0.36476115
   0.40653288  0.90750208  0.18524802
   0.16109404  0.84345045  0.23488305
   0.35159305  0.66818464  0.46638378
   0.09979159  0.60564794  0.39359411
   0.22448689  0.45277977  0.52725902
   0.27603518  0.71177576  0.75631775
   0.14866351  0.72381792  0.55669488
   0.38079329  0.99024540  0.77580842
   0.50123563  0.87159438  0.63263186
   0.23251350  0.96063319  0.62845264
   0.28268735  0.67807403 -0.05457448
   0.02274132  0.65743908  0.93590564
   0.61373005  0.05112211  0.10630720
   0.87348641  0.23363099  0.25339605
   0.60966817  0.28039792  0.02187671
   0.87443549  0.45643365  0.36167749
   0.04325222  0.38560505  0.16894725
   0.78547382  0.44496777  0.13412763
   0.66372160  0.16714455  0.37438141
   0.43837848  0.13515241  0.47413818
   0.69250183  0.06735299  0.54715419
   0.86121556  0.23731421  0.84550833
   0.62597062  0.33101286  0.52851088
   0.88467787  0.49563772  0.84495021
   0.97471211  0.47683837  0.60524632
   0.73928637  0.36144092  0.70147850
   0.79062252  0.08094012  0.96779561
   0.53637299  0.06725996  0.91566979
   0.54316469  0.54341251  0.03427143
   0.88113741  0.69365122  0.26966776
   0.55460911  0.81003555  0.04032555
   0.84775505  0.98282488  0.30584134
   0.91575859  0.88379077  0.14552194
   0.66767170  0.83644575  0.21367828
   0.84718507  0.68192434  0.45828014
   0.59971121  0.62014406  0.39229263
   0.69436444  0.57495819  0.58537011
   0.83375995  0.75586046  0.80847513
   0.61844116  0.84578182  0.48120801
   0.96685324  0.99805707  0.82974279
   0.99449630  0.85032694  0.68441671
   0.73656228  0.97074607  0.70513493
   0.77015565  0.65925720  0.97892225
   0.52486802  0.67448036  0.87866334
   0.77302860  0.82331146  0.58644114
   0.34207407  0.76115276  0.47640371
   0.90495321  0.22935463  0.08057593
   0.89226284  0.39883357  0.41688094
   0.44565150  0.12136778  0.62956077
   0.19999839  0.71588325  0.74957186
   0.20630893  1.08570510  0.18556711
   0.29650623  1.14742429  0.05815856
   0.64698427  0.41360511  0.86194839
   0.78993815  0.58277644  0.60847357
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.696496    0.166278   -0.142582
    -0.000000    9.842104    0.003481
    -0.000000    0.000000   13.995805
   Si   O    H 
    32    64    10
Direct configuration=  2996
   0.20600682  0.22015030 -0.01673761
   0.34174229  0.10592973  0.38217662
   0.16919559  0.44362453  0.12040350
   0.41191861  0.34998775  0.26533649
   0.05660874  0.12881043  0.47907815
   0.42367798  0.12602805  0.83425326
   0.12235616  0.38336350  0.60200348
   0.38540677  0.39134403  0.73730669
   0.14710105  0.69718236  0.01010042
   0.43934753  0.59851006  0.37257155
   0.08525686  0.91782312  0.14786967
   0.32634144  0.83863176  0.27140764
   0.19094382  0.59992799  0.49556594
   0.35671353  0.64447329  0.85028001
   0.10070073  0.87420898  0.59754831
   0.38619632  0.98835007  0.65931763
   0.63196592  0.12074743  0.99920106
   0.82000946  0.14438154  0.33505074
   0.62001268  0.41683085  0.09406416
   0.89246923  0.32519947  0.15696537
   0.60219335  0.17443666  0.48112610
   0.92925180  0.10975494  0.90416051
   0.63339180  0.42604542  0.62036866
   0.77583817  0.37977719  0.81784156
   0.60109954  0.67689224 -0.02275775
   0.92484325  0.61156037  0.36948821
   0.56017097  0.90280146  0.13487490
   0.83303252  0.84984614  0.23846768
   0.68325220  0.69043404  0.47791329
   0.87871687  0.64779344  0.89265954
   0.66137919  0.92234827  0.59387465
   0.87035113  0.90193933  0.75743578
   0.10049146  0.08049512  0.16727991
   0.39254873  0.19115635  0.29060512
   0.19376757  0.38034060  0.01441660
   0.41973802  0.43482883  0.36755326
   0.54869954  0.37894958  0.19815896
   0.29143405  0.39694966  0.19403014
   0.18616512  0.15597522  0.40452782
  -0.08115718  0.18154256  0.42681841
   0.04157634 -0.03091761  0.50161365
   0.45824665  0.25165303  0.75936652
   0.09009952  0.23093981  0.57176725
   0.38295414  0.48434490  0.82982044
   0.48013091  0.46217580  0.66030982
   0.22741886  0.36067212  0.69793947
   0.29213962  0.19642511 -0.11001324
   0.06011437  0.15895757  0.95750278
   0.15707001  0.59775227  0.10378541
   0.38118348  0.68300935  0.28304944
   0.12737961  0.85612810  0.04531160
   0.33876381  0.93564566  0.36425530
   0.40561631  0.90902213  0.18461028
   0.16179322  0.84366591  0.23414266
   0.35145954  0.66642728  0.46624809
   0.09965708  0.60653752  0.39411469
   0.22479213  0.45187830  0.52800963
   0.27832370  0.71330019  0.75676614
   0.14772741  0.72448848  0.55726711
   0.38091183  0.98997556  0.77686525
   0.50216171  0.87102944  0.63308233
   0.23192982  0.96350993  0.62841518
   0.28297237  0.67813836 -0.05462998
   0.02349994  0.65659855  0.93569430
   0.61393625  0.05289327  0.10764295
   0.87319230  0.23259105  0.25335008
   0.60977569  0.28092707  0.02251496
   0.87553898  0.45715971  0.36144318
   0.04239602  0.38486047  0.16883227
   0.78679069  0.44556508  0.13504725
   0.66446174  0.16721339  0.37542514
   0.43826266  0.13428355  0.47456075
   0.69298869  0.06737004  0.54669931
   0.86049767  0.23763968  0.84544081
   0.62534128  0.33122718  0.52867534
   0.88337775  0.49544452  0.84633003
   0.97516903  0.47775467  0.60446679
   0.73795359  0.36292978  0.70216075
   0.79288135  0.08026323  0.96768947
   0.53672143  0.06811852  0.91610895
   0.54306153  0.54363021  0.03304579
   0.88185712  0.69466843  0.26951603
   0.55402268  0.80861738  0.03934135
   0.84804166  0.98303724  0.30657792
   0.91504972  0.88389157  0.14411602
   0.66569479  0.83588489  0.21383657
   0.84707190  0.68274136  0.45844764
   0.60001543  0.61998156  0.39327803
   0.69282015  0.57699685  0.58433633
   0.83305095  0.75573985  0.80744169
   0.61831234  0.84418253  0.47960487
   0.96767103  0.99733274  0.82984925
   0.99655675  0.85050527  0.68353306
   0.73693515  0.97061746  0.70540223
   0.77117552  0.66000657  0.97974666
   0.52244386  0.67587431  0.87937253
   0.76585111  0.82336787  0.60010301
   0.33445702  0.76677248  0.47461939
   0.90541406  0.22806854  0.07338896
   0.89087515  0.40643780  0.41485410
   0.44058683  0.11597646  0.63108827
   0.13880961  0.70531419  0.74105377
   0.19688673  1.09202597  0.18406092
   0.29839218  1.15070024  0.06130407
   0.65402883  0.40941797  0.86478886
   0.79172230  0.57705429  0.60695315
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.695261    0.165222   -0.143798
    -0.000000    9.840371    0.003269
    -0.000000    0.000000   13.996476
   Si   O    H 
    32    64    10
Direct configuration=  2997
   0.20721842  0.22090686 -0.01665744
   0.34295746  0.10619762  0.38159234
   0.16814692  0.44418319  0.12056356
   0.41204979  0.35155595  0.26488963
   0.05888028  0.12783421  0.47901813
   0.42350853  0.12589531  0.83396556
   0.12195465  0.38427155  0.60216505
   0.38429411  0.39082905  0.73658994
   0.14812511  0.69648181  0.01082630
   0.43991153  0.59808150  0.37303956
   0.08499136  0.91868410  0.14818840
   0.32624358  0.83996444  0.27169436
   0.18959473  0.59970739  0.49561501
   0.35814186  0.64532922  0.85057849
   0.10077202  0.87403046  0.59747511
   0.38619966  0.98819988  0.65937737
   0.63179878  0.12162621  1.00028924
   0.82070690  0.14409488  0.33494733
   0.61824065  0.41635636  0.09291693
   0.89164557  0.32590050  0.15695931
   0.60260982  0.17552018  0.48158492
   0.92845422  0.10959339  0.90401966
   0.63261728  0.42582538  0.61984324
   0.77668039  0.37973093  0.81777266
   0.60146441  0.67611177 -0.02319462
   0.92622698  0.61159939  0.36893788
   0.55966486  0.90323143  0.13498899
   0.83173521  0.85192694  0.23876528
   0.68355374  0.69125690  0.47694558
   0.87837853  0.64667542  0.89310186
   0.66149819  0.92186985  0.59352986
   0.86981594  0.90256482  0.75809919
   0.09959518  0.07933738  0.16683537
   0.39370046  0.19010294  0.29130303
   0.19467190  0.38096397  0.01478449
   0.41784628  0.43417552  0.36653671
   0.54981717  0.37948952  0.19871538
   0.29230022  0.39744103  0.19444630
   0.18800610  0.15590477  0.40338556
  -0.08032035  0.18117330  0.42558246
   0.04206338 -0.02979600  0.50227005
   0.45763513  0.25279919  0.75933435
   0.09070932  0.23142473  0.57028779
   0.38176974  0.48248920  0.82942288
   0.47871838  0.46240369  0.66077222
   0.22510769  0.36291887  0.69717632
   0.29220843  0.19623827 -0.11005930
   0.06117050  0.15788614  0.95780896
   0.15815726  0.60016448  0.10450018
   0.38137330  0.68329306  0.28284881
   0.12580289  0.85472225  0.04461739
   0.33785270  0.93383331  0.36381467
   0.40492154  0.91132987  0.18406014
   0.16181815  0.84363019  0.23326365
   0.35065871  0.66542151  0.46680922
   0.09919107  0.60768579  0.39491751
   0.22539773  0.45062545  0.52875002
   0.27962344  0.71407533  0.75707092
   0.14739469  0.72500294  0.55872549
   0.38136060  0.99048616  0.77808051
   0.50341560  0.87143937  0.63337713
   0.23162124  0.96569601  0.62851375
   0.28340517  0.67848329 -0.05381468
   0.02482623  0.65638806  0.93608396
   0.61458622  0.05476436  0.10903061
   0.87228605  0.23214565  0.25278570
   0.60922636  0.28189784  0.02336168
   0.87634525  0.45799941  0.36087552
   0.04092960  0.38413124  0.16866551
   0.78823180  0.44664035  0.13555130
   0.66519536  0.16680052  0.37548734
   0.43802169  0.13342726  0.47453241
   0.69418309  0.06825278  0.54641876
   0.85984855  0.23827233  0.84546766
   0.62474942  0.33051664  0.52852974
   0.88281185  0.49569050  0.84747996
   0.97626645  0.47805282  0.60321541
   0.73709203  0.36435350  0.70332070
   0.79397207  0.07937553  0.96834646
   0.53745157  0.06888414  0.91710473
   0.54349485  0.54260874  0.03228797
   0.88183142  0.69599957  0.26895210
   0.55334075  0.80658109  0.03814492
   0.84832604  0.98274354  0.30711095
   0.91471364  0.88403280  0.14231399
   0.66307239  0.83422344  0.21382750
   0.84708612  0.68402951  0.45797005
   0.59990118  0.61889983  0.39371390
   0.69149458  0.57823695  0.58317883
   0.83264330  0.75473585  0.80667581
   0.61868359  0.84208538  0.47793957
   0.96837341  0.99570223  0.82904502
   0.99829636  0.85006756  0.68265131
   0.73714231  0.96984573  0.70577879
   0.77178872  0.66091457  0.98018507
   0.52029240  0.67699674  0.87954814
   0.76427905  0.81399173  0.61196300
   0.33077215  0.76986387  0.47338184
   0.90475897  0.23171224  0.06681223
   0.89082995  0.40195571  0.41912019
   0.43662130  0.11086859  0.63147704
   0.10306319  0.69602424  0.73518318
   0.18939496  1.09949142  0.18159924
   0.29666200  1.15506797  0.06303848
   0.65429823  0.40686804  0.86979931
   0.79335184  0.57060250  0.60482175
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.693869    0.164462   -0.144568
    -0.000000    9.838684    0.002971
    -0.000000    0.000000   13.997247
   Si   O    H 
    32    64    10
Direct configuration=  2998
   0.20799740  0.22191575 -0.01662030
   0.34425129  0.10615858  0.38087101
   0.16688173  0.44406580  0.12008007
   0.41222613  0.35303452  0.26403485
   0.06095293  0.12738736  0.47909994
   0.42322437  0.12578979  0.83377057
   0.12037091  0.38498411  0.60245077
   0.38284468  0.39077141  0.73545796
   0.14941874  0.69618395  0.01150205
   0.43981149  0.59739359  0.37324463
   0.08392760  0.91935877  0.14817860
   0.32657171  0.84091686  0.27158648
   0.18856385  0.60004106  0.49558758
   0.35964736  0.64555332  0.85037358
   0.10106137  0.87394340  0.59763580
   0.38583206  0.98727851  0.65979304
   0.63165081  0.12269276  1.00124346
   0.82196578  0.14306797  0.33519778
   0.61684850  0.41662328  0.09151369
   0.89132670  0.32653238  0.15716613
   0.60217117  0.17579866  0.48148316
   0.92697996  0.10949669  0.90384150
   0.63208264  0.42610560  0.62010763
   0.77784282  0.37955315  0.81711931
   0.60195825  0.67607806 -0.02376726
   0.92746897  0.61173094  0.36887124
   0.55911162  0.90355646  0.13510782
   0.83024120  0.85353958  0.23872338
   0.68376039  0.69205357  0.47616293
   0.87762819  0.64605459  0.89354595
   0.66155043  0.92064603  0.59297720
   0.86904934  0.90267579  0.75868845
   0.09841482  0.07768438  0.16612473
   0.39485059  0.18908710  0.29156775
   0.19563436  0.38129172  0.01451007
   0.41611623  0.43399696  0.36602922
   0.55038697  0.37939844  0.19864807
   0.29328922  0.39794940  0.19445935
   0.18951053  0.15608063  0.40219376
  -0.07951157  0.18064995  0.42482120
   0.04232638 -0.02979491  0.50344009
   0.45807311  0.25313476  0.75989348
   0.09157448  0.23171158  0.56814022
   0.38094725  0.48101219  0.82966294
   0.47749631  0.46364575  0.66020114
   0.22256972  0.36450816  0.69698309
   0.29221672  0.19598519 -0.11041888
   0.06143522  0.15696023  0.95850746
   0.15974136  0.60279975  0.10500541
   0.38260662  0.68369687  0.28233379
   0.12494378  0.85391447  0.04415957
   0.33790428  0.93237634  0.36386086
   0.40462969  0.91359737  0.18318712
   0.16342984  0.84346306  0.23285813
   0.34994240  0.66491360  0.46723075
   0.09857614  0.60934524  0.39614923
   0.22659738  0.45024116  0.52901993
   0.28015748  0.71347787  0.75738417
   0.14582283  0.72632604  0.56010076
   0.38164022  0.99126575  0.77837718
   0.50373732  0.87214794  0.63329824
   0.23046141  0.96687270  0.62807660
   0.28390220  0.68022488 -0.05249055
   0.02654369  0.65579190  0.93633710
   0.61519139  0.05656970  0.10964582
   0.87123172  0.23224960  0.25279254
   0.60835197  0.28282282  0.02445813
   0.87717770  0.45818127  0.36061008
   0.03966167  0.38373775  0.16863633
   0.78783983  0.44888506  0.13552178
   0.66528132  0.16599565  0.37549433
   0.43746789  0.13224851  0.47493199
   0.69517461  0.06861334  0.54618085
   0.85965480  0.23831513  0.84520890
   0.62476112  0.32996185  0.52821836
   0.88131621  0.49648867  0.84852762
   0.97812682  0.47878505  0.60185154
   0.73620315  0.36583176  0.70372638
   0.79388737  0.07914453  0.96931835
   0.53805404  0.06978555  0.91710308
   0.54411142  0.54067305  0.03239800
   0.88210545  0.69665867  0.26925306
   0.55197488  0.80485713  0.03687197
   0.84896590  0.98251017  0.30879265
   0.91476081  0.88472833  0.14077020
   0.66034484  0.83301695  0.21421711
   0.84710848  0.68486074  0.45770434
   0.59917484  0.61659867  0.39354681
   0.69058183  0.57897221  0.58214667
   0.83307258  0.75348610  0.80594752
   0.62000519  0.84063905  0.47660056
   0.96936515  0.99395012  0.82782042
   0.99929712  0.84879582  0.68232720
   0.73713957  0.96931072  0.70663961
   0.77155598  0.66233602  0.98020135
   0.51744267  0.67784720  0.87884154
   0.76357034  0.80057396  0.62135234
   0.33086396  0.76971481  0.46987965
   0.90239542  0.24089428  0.06512023
   0.89189620  0.39484555  0.42006657
   0.43795318  0.11428472  0.62874824
   0.08640506  0.69177655  0.73209062
   0.19420473  1.11323076  0.18231623
   0.29132756  1.16186460  0.06079037
   0.65230487  0.40756675  0.87623099
   0.79504495  0.56743626  0.60175237
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.692171    0.163777   -0.145315
    -0.000000    9.836758    0.002670
    -0.000000    0.000000   13.998091
   Si   O    H 
    32    64    10
Direct configuration=  2999
   0.20934530  0.22252266 -0.01601791
   0.34494817  0.10551893  0.38009897
   0.16663517  0.44356967  0.11921142
   0.41273347  0.35408538  0.26298006
   0.06367172  0.12718626  0.47920099
   0.42337075  0.12578190  0.83383592
   0.11854731  0.38521581  0.60272501
   0.38074288  0.39126641  0.73445175
   0.15029580  0.69590476  0.01137440
   0.44010754  0.59647876  0.37310619
   0.08274197  0.92022457  0.14823883
   0.32733419  0.84175827  0.27105103
   0.18765646  0.60008014  0.49519938
   0.36142342  0.64550844  0.85003827
   0.10175220  0.87477328  0.59751600
   0.38548243  0.98725592  0.66050883
   0.63198708  0.12393499  1.00234496
   0.82279349  0.14155882  0.33573441
   0.61473409  0.41636636  0.09008673
   0.89110242  0.32654261  0.15721289
   0.60216125  0.17584131  0.48139613
   0.92559081  0.10962582  0.90389735
   0.63155983  0.42571229  0.62006555
   0.77913645  0.37890383  0.81647859
   0.60232117  0.67538398 -0.02425641
   0.92822078  0.61244441  0.36913315
   0.55829972  0.90407786  0.13497459
   0.82878263  0.85525568  0.23846534
   0.68347760  0.69310634  0.47573695
   0.87712891  0.64521660  0.89375306
   0.66226809  0.91926137  0.59246354
   0.86877171  0.90272182  0.75919833
   0.09777084  0.07646997  0.16513664
   0.39625581  0.18931746  0.29201197
   0.19640634  0.38170745  0.01479075
   0.41479207  0.43377049  0.36597618
   0.55025771  0.38040777  0.19842384
   0.29317624  0.39924207  0.19429658
   0.18993100  0.15633371  0.40089918
  -0.07952154  0.18027175  0.42386105
   0.04324854 -0.03002865  0.50495771
   0.45916761  0.25280400  0.76076523
   0.09240022  0.23153697  0.56591611
   0.38029769  0.47918591  0.83061565
   0.47714094  0.46461247  0.65951554
   0.22028340  0.36601629  0.69702618
   0.29193433  0.19582180 -0.11110275
   0.06182289  0.15577351  0.95925397
   0.16068654  0.60602353  0.10589402
   0.38381864  0.68480617  0.28185361
   0.12425017  0.85303643  0.04353553
   0.33795717  0.93174651  0.36418744
   0.40420481  0.91595218  0.18226430
   0.16486639  0.84356658  0.23212721
   0.34874582  0.66441872  0.46792858
   0.09814642  0.61129205  0.39755418
   0.22710763  0.45004455  0.52933754
   0.28012557  0.71339092  0.75805376
   0.14325369  0.72767778  0.56204543
   0.38223866  0.99215039  0.77913586
   0.50447156  0.87364424  0.63358463
   0.22959660  0.96810760  0.62726008
   0.28380042  0.68124369 -0.05087398
   0.02871159  0.65504785  0.93694418
   0.61542505  0.05769410  0.10982990
   0.87020066  0.23256749  0.25272650
   0.60716633  0.28394606  0.02480659
   0.87826143  0.45756220  0.36120630
   0.03902392  0.38331222  0.16909339
   0.78693257  0.45050108  0.13594881
   0.66557792  0.16471329  0.37529258
   0.43722160  0.13124398  0.47587519
   0.69607047  0.06897512  0.54551288
   0.85965476  0.23871646  0.84526598
   0.62415154  0.32918790  0.52839783
   0.87995895  0.49727027  0.84946513
   0.97986320  0.47902340  0.60016425
   0.73543260  0.36747996  0.70360220
   0.79338461  0.07868088  0.97046790
   0.53854152  0.07031910  0.91655083
   0.54485273  0.53843923  0.03270803
   0.88268439  0.69715389  0.26927907
   0.55097389  0.80353407  0.03553644
   0.84920701  0.98256239  0.31040191
   0.91549810  0.88489480  0.13957928
   0.65838501  0.83283203  0.21487920
   0.84673618  0.68669809  0.45696520
   0.59902557  0.61462060  0.39367078
   0.69015302  0.58050835  0.58065073
   0.83284570  0.75276215  0.80525766
   0.62183937  0.83911960  0.47543603
   0.97036765  0.99260411  0.82682560
   0.99998801  0.84817708  0.68254811
   0.73704328  0.96860044  0.70767885
   0.77060518  0.66314012  0.97965324
   0.51527649  0.67910227  0.87746286
   0.76234348  0.78898891  0.62635911
   0.33400545  0.76537426  0.46826908
   0.90062079  0.24814768  0.06889027
   0.89190938  0.39405119  0.41572970
   0.44072042  0.11817088  0.62719749
   0.07810179  0.69161987  0.72878940
   0.19357790  1.12009035  0.18131071
   0.29027356  1.17163811  0.06009088
   0.65189857  0.40851061  0.88052499
   0.79585666  0.56981905  0.59783311
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.690442    0.163028   -0.146012
    -0.000000    9.835036    0.002359
    -0.000000    0.000000   13.998849
   Si   O    H 
    32    64    10
Direct configuration=  3000
   0.21003429  0.22298013 -0.01607596
   0.34489411  0.10372538  0.37973144
   0.16639690  0.44294870  0.11833474
   0.41311509  0.35539421  0.26175097
   0.06639953  0.12764050  0.47921421
   0.42349126  0.12533173  0.83402526
   0.11642408  0.38536742  0.60339811
   0.37829969  0.39205976  0.73360820
   0.15055453  0.69595838  0.01115762
   0.44058553  0.59526685  0.37308889
   0.08164478  0.92077933  0.14773712
   0.32756305  0.84203461  0.27031155
   0.18662344  0.60019182  0.49499383
   0.36253448  0.64583864  0.84959126
   0.10187624  0.87569297  0.59687133
   0.38528373  0.98731335  0.66134033
   0.63318259  0.12517962  1.00307565
   0.82333517  0.14077103  0.33608781
   0.61282755  0.41605890  0.08924868
   0.88988996  0.32582160  0.15760037
   0.60237555  0.17557436  0.48164878
   0.92365621  0.10943995  0.90427044
   0.63101245  0.42481018  0.62015713
   0.77984606  0.37860996  0.81596035
   0.60260209  0.67486173 -0.02490713
   0.92835137  0.61364733  0.36969364
   0.55810418  0.90440179  0.13444815
   0.82819633  0.85691467  0.23840675
   0.68351770  0.69394654  0.47505048
   0.87621771  0.64481442  0.89369915
   0.66282167  0.91804432  0.59203792
   0.86858930  0.90199140  0.75925375
   0.09787025  0.07532529  0.16400372
   0.39754914  0.19005455  0.29179056
   0.19756236  0.38222118  0.01512206
   0.41315732  0.43423458  0.36640494
   0.55059189  0.38137168  0.19758019
   0.29267694  0.40083173  0.19435859
   0.19029876  0.15609723  0.39968797
  -0.07820427  0.18033914  0.42288341
   0.04323886 -0.03024947  0.50677536
   0.46120417  0.25156514  0.76212330
   0.09226716  0.23174969  0.56420537
   0.38009397  0.47653894  0.83190543
   0.47715368  0.46561856  0.65855653
   0.21885134  0.36741809  0.69719722
   0.29189522  0.19542790 -0.11212327
   0.06238402  0.15562806  0.96006026
   0.16190536  0.60824228  0.10699129
   0.38398472  0.68596428  0.28191613
   0.12384970  0.85285798  0.04364409
   0.33826408  0.93195887  0.36485014
   0.40412158  0.91801253  0.18127927
   0.16610866  0.84366906  0.23181062
   0.34763929  0.66325853  0.46824200
   0.09765857  0.61301230  0.39893543
   0.22812932  0.45031063  0.52978496
   0.27954227  0.71281393  0.75924041
   0.14070742  0.72854799  0.56339816
   0.38206593  0.99324103  0.78006173
   0.50471731  0.87546797  0.63380845
   0.22839563  0.96965847  0.62639694
   0.28449298  0.68202763 -0.05000815
   0.02974748  0.65499651  0.93764613
   0.61475952  0.05839862  0.10971890
   0.86939657  0.23351945  0.25216613
   0.60536908  0.28506273  0.02428592
   0.87935042  0.45689857  0.36161127
   0.03876482  0.38278253  0.16990022
   0.78514594  0.45283298  0.13575672
   0.66616509  0.16394063  0.37533519
   0.43780846  0.13089931  0.47710333
   0.69686209  0.06885992  0.54539229
   0.85913160  0.23887935  0.84547139
   0.62312455  0.32727320  0.52812759
   0.87831914  0.49802369  0.84981761
   0.98217207  0.47940127  0.59896811
   0.73482083  0.36921659  0.70407257
   0.79361555  0.07804100  0.97183292
   0.53937404  0.07097260  0.91668734
   0.54594650  0.53622982  0.03321952
   0.88342491  0.69863745  0.26924790
   0.55016321  0.80352325  0.03491238
   0.84817348  0.98257359  0.31219461
   0.91629971  0.88534197  0.13919196
   0.65711106  0.83212675  0.21563051
   0.84681988  0.68870261  0.45649337
   0.59822758  0.61214688  0.39420050
   0.69022021  0.58183129  0.57893977
   0.83294235  0.75191008  0.80526572
   0.62397821  0.83740352  0.47428411
   0.97094529  0.99098255  0.82619263
   0.99956613  0.84752708  0.68277502
   0.73695633  0.96856664  0.70928825
   0.76970237  0.66399517  0.97911755
   0.51477767  0.68073309  0.87632002
   0.75820956  0.78083286  0.62504473
   0.33822461  0.75948155  0.46432174
   0.89679036  0.25274392  0.07173864
   0.89056904  0.39774179  0.40926191
   0.44341012  0.11757061  0.62605152
   0.07566117  0.69249876  0.72744726
   0.18533329  1.12124102  0.17706812
   0.29261330  1.17411001  0.06037606
   0.65445570  0.40469167  0.88316915
   0.79469693  0.57572401  0.59074205
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.688463    0.162471   -0.146585
    -0.000000    9.833297    0.002149
    -0.000000    0.000000   13.999614
   Si   O    H 
    32    64    10
Direct configuration=  3001
   0.21095126  0.22359494 -0.01621554
   0.34491133  0.10231317  0.37937201
   0.16629101  0.44328915  0.11739079
   0.41436015  0.35638151  0.26068898
   0.06861108  0.12904158  0.47929869
   0.42336949  0.12529144  0.83441535
   0.11460775  0.38454502  0.60438001
   0.37563856  0.39206015  0.73252297
   0.15116373  0.69664428  0.01096805
   0.44092991  0.59443191  0.37258366
   0.08095010  0.92125038  0.14696123
   0.32782721  0.84168100  0.26958803
   0.18574295  0.60065242  0.49504098
   0.36309245  0.64599827  0.84886357
   0.10193751  0.87654722  0.59678482
   0.38509302  0.98740980  0.66241277
   0.63395856  0.12615783  1.00381512
   0.82388221  0.13975728  0.33653922
   0.61151654  0.41586730  0.08880981
   0.88879896  0.32501714  0.15815563
   0.60246990  0.17459110  0.48177939
   0.92200419  0.10949529  0.90421536
   0.62969274  0.42430851  0.62034784
   0.78073031  0.37822960  0.81533627
   0.60227793  0.67432767 -0.02545709
   0.92811641  0.61473286  0.37009899
   0.55778933  0.90525163  0.13407478
   0.82725553  0.85785279  0.23787986
   0.68412816  0.69403463  0.47469662
   0.87482321  0.64495349  0.89367254
   0.66437751  0.91655819  0.59222335
   0.86851543  0.90107096  0.75942906
   0.09796333  0.07514582  0.16262923
   0.39865472  0.19141297  0.29148047
   0.19877170  0.38216324  0.01546877
   0.41106364  0.43468660  0.36635001
   0.54999771  0.38172998  0.19692283
   0.29107740  0.40314335  0.19392966
   0.19043376  0.15555568  0.39884839
  -0.07663590  0.18025968  0.42199739
   0.04353294 -0.03005355  0.50905376
   0.46388953  0.25028097  0.76343686
   0.09192843  0.23151684  0.56263580
   0.37966843  0.47408288  0.83324355
   0.47732560  0.46702295  0.65768157
   0.21877934  0.36875808  0.69817260
   0.29171935  0.19527320 -0.11336636
   0.06294811  0.15541547  0.96086182
   0.16265233  0.61013500  0.10864488
   0.38450114  0.68727549  0.28207552
   0.12386584  0.85420409  0.04355284
   0.33772865  0.93188891  0.36586839
   0.40460941  0.91945739  0.18045664
   0.16725744  0.84332589  0.23180156
   0.34677409  0.66240129  0.46877634
   0.09738889  0.61477900  0.39980340
   0.22896241  0.45065386  0.53030646
   0.27855924  0.71182766  0.76002496
   0.13882383  0.72854356  0.56449714
   0.38161040  0.99437535  0.78045520
   0.50486702  0.87737968  0.63378317
   0.22689141  0.97063396  0.62505362
   0.28469216  0.68234698 -0.04862352
   0.03177897  0.65498772  0.93854714
   0.61355507  0.05824992  0.10966977
   0.86921688  0.23495307  0.25158317
   0.60464374  0.28682571  0.02325091
   0.88093678  0.45824688  0.36136151
   0.03896965  0.38246787  0.17082749
   0.78320619  0.45517675  0.13487405
   0.66769065  0.16420407  0.37559180
   0.43904372  0.13114586  0.47797651
   0.69733508  0.06845115  0.54587333
   0.85931152  0.23970175  0.84497888
   0.62248729  0.32623380  0.52817612
   0.87631961  0.49920144  0.85011644
   0.98361160  0.47998824  0.59806862
   0.73409316  0.37109300  0.70470044
   0.79331908  0.07763751  0.97374503
   0.53953106  0.07097926  0.91643670
   0.54612407  0.53518815  0.03355691
   0.88423736  0.69996844  0.26988105
   0.54890604  0.80363971  0.03485873
   0.84752409  0.98216947  0.31328607
   0.91652207  0.88703829  0.13940774
   0.65638512  0.83159603  0.21622469
   0.84655493  0.69100455  0.45620368
   0.59781737  0.60936156  0.39446802
   0.68947932  0.58337578  0.57738674
   0.83211282  0.75208363  0.80523358
   0.62601430  0.83644079  0.47389632
   0.97141275  0.98932866  0.82601173
   0.99957792  0.84749481  0.68306279
   0.73701139  0.96894276  0.71019593
   0.76880437  0.66471566  0.97799600
   0.51511112  0.68169679  0.87556550
   0.74821450  0.78217230  0.61855494
   0.34111554  0.76362085  0.45887604
   0.89552230  0.25196611  0.07096961
   0.89078017  0.38597553  0.41618459
   0.44328560  0.11560476  0.62659642
   0.07842296  0.69886662  0.72491248
   0.17816595  1.11900271  0.17220760
   0.29526361  1.17320658  0.06248901
   0.66107491  0.39593113  0.88197997
   0.79448146  0.57895250  0.58553666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.686035    0.161727   -0.146510
    -0.000000    9.832062    0.002043
    -0.000000    0.000000   14.000297
   Si   O    H 
    32    64    10
Direct configuration=  3002
   0.21155041  0.22348622 -0.01603248
   0.34467441  0.10061194  0.37902580
   0.16602545  0.44354925  0.11660724
   0.41549518  0.35692078  0.25990765
   0.07054820  0.12969367  0.47912943
   0.42374668  0.12551209  0.83485224
   0.11327017  0.38334331  0.60486929
   0.37356479  0.39230540  0.73172391
   0.15223654  0.69743663  0.01079803
   0.44161339  0.59377247  0.37193613
   0.08022784  0.92140563  0.14640779
   0.32875943  0.84129022  0.26853670
   0.18491926  0.60152611  0.49517223
   0.36238941  0.64559328  0.84803445
   0.10211982  0.87756321  0.59679136
   0.38492939  0.98763389  0.66352826
   0.63453288  0.12711206  1.00438119
   0.82431727  0.13822236  0.33721518
   0.61087577  0.41549143  0.08837907
   0.88771619  0.32418756  0.15852683
   0.60264138  0.17379001  0.48197858
   0.92077577  0.10955066  0.90388515
   0.62813183  0.42461379  0.62024097
   0.78173692  0.37766500  0.81500331
   0.60197086  0.67349906 -0.02606785
   0.92797657  0.61547509  0.37075973
   0.55831357  0.90575739  0.13380622
   0.82623725  0.85794255  0.23744476
   0.68517118  0.69377510  0.47427982
   0.87398982  0.64505463  0.89379167
   0.66640914  0.91538428  0.59236679
   0.86894191  0.90004629  0.75902860
   0.09753149  0.07597209  0.16195983
   0.39950695  0.19297148  0.29087559
   0.20033155  0.38172613  0.01617970
   0.40870860  0.43537253  0.36584245
   0.55038067  0.38200144  0.19603353
   0.29001848  0.40529101  0.19383230
   0.19059011  0.15470729  0.39837666
  -0.07460139  0.17958749  0.42122557
   0.04370125 -0.02988391  0.51148477
   0.46708520  0.24902685  0.76431686
   0.09173038  0.23122662  0.56102271
   0.37917757  0.47260614  0.83494945
   0.47760254  0.46751939  0.65702846
   0.21815767  0.37003102  0.69893837
   0.29089214  0.19516787 -0.11498930
   0.06325904  0.15498554  0.96132493
   0.16253014  0.61091256  0.11022357
   0.38484752  0.68898999  0.28254741
   0.12471585  0.85678620  0.04373976
   0.33763528  0.93125176  0.36674214
   0.40609552  0.92172728  0.17948400
   0.16840788  0.84244049  0.23178389
   0.34615694  0.66178269  0.46829938
   0.09651798  0.61704928  0.40047058
   0.22976456  0.45209224  0.53059489
   0.27858414  0.71035129  0.76048848
   0.13731046  0.72837641  0.56518883
   0.38155747  0.99454506  0.78071031
   0.50473408  0.87846639  0.63327273
   0.22606997  0.97221971  0.62373041
   0.28542430  0.68281422 -0.04768113
   0.03377404  0.65523655  0.93943197
   0.61214803  0.05781528  0.10960980
   0.86859201  0.23609562  0.25076316
   0.60403687  0.28766308  0.02198301
   0.88245076  0.45918612  0.36165107
   0.03975137  0.38256097  0.17139769
   0.78071873  0.45647605  0.13373613
   0.66841873  0.16471564  0.37608724
   0.44014263  0.13171705  0.47867534
   0.69762915  0.06840073  0.54671172
   0.85872115  0.24048252  0.84485443
   0.62203254  0.32508382  0.52806721
   0.87464566  0.49963812  0.85065044
   0.98481658  0.47959853  0.59689021
   0.73286686  0.37318325  0.70472811
   0.79319160  0.07788736  0.97573214
   0.53987856  0.07155570  0.91623305
   0.54587100  0.53485065  0.03321575
   0.88545977  0.70125035  0.27087933
   0.54823577  0.80384236  0.03502055
   0.84710314  0.98110121  0.31403765
   0.91638910  0.88798248  0.13969953
   0.65555411  0.83131350  0.21614720
   0.84644922  0.69334870  0.45559722
   0.59712124  0.60684450  0.39462824
   0.68799479  0.58439686  0.57619727
   0.83123994  0.75211082  0.80582748
   0.62678482  0.83659686  0.47310082
   0.97178828  0.98812783  0.82614386
   0.99972287  0.84656578  0.68341659
   0.73664293  0.96999270  0.71159216
   0.76844302  0.66619647  0.97701093
   0.51617945  0.68291176  0.87433228
   0.73797868  0.78778675  0.60940896
   0.34662157  0.76702545  0.45243651
   0.89540383  0.24967651  0.06742650
   0.89467248  0.38140425  0.41739610
   0.44110771  0.11298237  0.63026147
   0.08583796  0.70868247  0.72252943
   0.18535784  1.12401082  0.17009197
   0.30136310  1.16887085  0.06450377
   0.66719931  0.39063730  0.87769173
   0.79537244  0.58285261  0.58246684
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.683574    0.161393   -0.145943
    -0.000000    9.831134    0.003127
    -0.000000    0.000000   14.001263
   Si   O    H 
    32    64    10
Direct configuration=  3003
   0.21257239  0.22320299 -0.01603995
   0.34471932  0.09887029  0.37892322
   0.16587071  0.44390786  0.11605218
   0.41682837  0.35762841  0.25955577
   0.07241122  0.13016532  0.47810629
   0.42468543  0.12582158  0.83561648
   0.11221476  0.38190378  0.60495144
   0.37217310  0.39305655  0.73154299
   0.15305633  0.69831107  0.01092824
   0.44221682  0.59436201  0.37125006
   0.07956956  0.92123409  0.14584609
   0.32938052  0.84078816  0.26723217
   0.18427999  0.60225640  0.49501161
   0.36118400  0.64496891  0.84728438
   0.10286715  0.87813852  0.59678915
   0.38457878  0.98747015  0.66445146
   0.63584809  0.12776814  1.00542524
   0.82433227  0.13697599  0.33796590
   0.61091675  0.41499076  0.08845914
   0.88683907  0.32391528  0.15872031
   0.60357265  0.17302665  0.48258744
   0.91959890  0.10992667  0.90350225
   0.62743609  0.42505428  0.62026690
   0.78273928  0.37694540  0.81457158
   0.60149197  0.67256580 -0.02664770
   0.92856680  0.61593550  0.37119824
   0.55807107  0.90570269  0.13354981
   0.82532483  0.85701684  0.23681041
   0.68675312  0.69295475  0.47424642
   0.87428371  0.64525094  0.89373419
   0.66832864  0.91424589  0.59218399
   0.86970232  0.89923491  0.75879679
   0.09653439  0.07811857  0.16160625
   0.39950364  0.19406202  0.29050790
   0.20120668  0.38059588  0.01660545
   0.40801312  0.43588591  0.36549470
   0.55026043  0.38140481  0.19511899
   0.28818237  0.40794959  0.19395425
   0.19036908  0.15298813  0.39754368
  -0.07206801  0.17825720  0.42096474
   0.04373583 -0.02900232  0.51310028
   0.47027846  0.24705054  0.76472198
   0.09193358  0.23111482  0.56036564
   0.37821610  0.47222261  0.83703248
   0.47791756  0.46741727  0.65626840
   0.21705775  0.37057175  0.69884596
   0.29077610  0.19558515 -0.11627282
   0.06374212  0.15463047  0.96206631
   0.16253481  0.61120666  0.11174301
   0.38557465  0.69027864  0.28368833
   0.12566309  0.85911423  0.04369303
   0.33811878  0.93078469  0.36755095
   0.40800126  0.92352262  0.17915172
   0.17008595  0.84117859  0.23245938
   0.34610975  0.66207708  0.46747947
   0.09548439  0.61964007  0.40093806
   0.23087295  0.45351771  0.53064998
   0.27900431  0.70897731  0.76102813
   0.13678676  0.72763809  0.56560925
   0.38151240  0.99429330  0.78104107
   0.50421460  0.87865846  0.63327628
   0.22639007  0.97506294  0.62288046
   0.28744503  0.68273647 -0.04696076
   0.03517390  0.65524922  0.93984647
   0.61070357  0.05807712  0.10960718
   0.86813797  0.23656836  0.24939816
   0.60365379  0.28730522  0.02099019
   0.88405563  0.45892709  0.36232544
   0.04088818  0.38228528  0.17189726
   0.77832002  0.45700050  0.13216226
   0.66904215  0.16612468  0.37607602
   0.44144816  0.13148634  0.47922419
   0.69792638  0.06752808  0.54769380
   0.85930898  0.24106984  0.84477828
   0.62181265  0.32414402  0.52765142
   0.87310890  0.49993375  0.85087097
   0.98565408  0.48031201  0.59552793
   0.73228141  0.37552167  0.70477677
   0.79272524  0.07786230  0.97752004
   0.54019149  0.07264164  0.91607758
   0.54432048  0.53574310  0.03267794
   0.88701267  0.70301595  0.27226704
   0.54741695  0.80465893  0.03475619
   0.84634645  0.97975405  0.31443772
   0.91572865  0.88886282  0.14019222
   0.65518485  0.83259015  0.21613681
   0.84650060  0.69537406  0.45559399
   0.59673438  0.60448210  0.39521819
   0.68702906  0.58527076  0.57468370
   0.83053923  0.75115078  0.80622421
   0.62661034  0.83745461  0.47306564
   0.97114873  0.98710698  0.82683849
   0.99996439  0.84527140  0.68406201
   0.73545312  0.96976480  0.71286972
   0.76790890  0.66741608  0.97651377
   0.51738806  0.68304428  0.87379171
   0.73232460  0.79338283  0.60102886
   0.35211248  0.76365978  0.44845710
   0.89436723  0.24799723  0.06378052
   0.89781188  0.38524514  0.41315050
   0.43861629  0.11048522  0.63036123
   0.09396737  0.72123085  0.71765900
   0.18845022  1.12766631  0.16998214
   0.30487363  1.16174088  0.06586673
   0.66907566  0.38691446  0.87347869
   0.79144732  0.58291770  0.58112382
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.681178    0.161328   -0.145233
    -0.000000    9.830442    0.004427
    -0.000000    0.000000   14.002109
   Si   O    H 
    32    64    10
Direct configuration=  3004
   0.21343088  0.22259069 -0.01683008
   0.34507185  0.09770477  0.37877161
   0.16498041  0.44467135  0.11595781
   0.41752495  0.35786074  0.25933260
   0.07398692  0.13030395  0.47714508
   0.42593420  0.12629913  0.83659131
   0.11133533  0.38112750  0.60531156
   0.37096292  0.39363721  0.73165324
   0.15382285  0.69917357  0.01125493
   0.44204124  0.59521042  0.37060437
   0.07886941  0.92077854  0.14546597
   0.32946203  0.84061663  0.26596191
   0.18322014  0.60269508  0.49505242
   0.36017990  0.64398043  0.84679197
   0.10330509  0.87864660  0.59711216
   0.38459187  0.98710548  0.66521959
   0.63681729  0.12803439  1.00607272
   0.82436538  0.13664881  0.33842551
   0.61119461  0.41512037  0.08891238
   0.88564942  0.32390233  0.15833070
   0.60371058  0.17255422  0.48307711
   0.91897961  0.11072493  0.90273014
   0.62699244  0.42521284  0.61992003
   0.78294656  0.37662463  0.81404381
   0.60047258  0.67162515 -0.02691791
   0.92942528  0.61540433  0.37105608
   0.55829975  0.90504899  0.13339016
   0.82426965  0.85572359  0.23612000
   0.68838322  0.69171140  0.47430341
   0.87532168  0.64526101  0.89373451
   0.66962459  0.91380659  0.59198492
   0.87039126  0.89776816  0.75888237
   0.09667157  0.08052662  0.16163682
   0.39971146  0.19441635  0.28955590
   0.20187442  0.37931217  0.01631214
   0.40769389  0.43588500  0.36492456
   0.54934863  0.38083261  0.19411204
   0.28588434  0.41018782  0.19432132
   0.18990885  0.15127908  0.39755313
  -0.06934559  0.17762555  0.42124774
   0.04393151 -0.02791989  0.51411213
   0.47311330  0.24494668  0.76477481
   0.09238576  0.23122611  0.56020406
   0.37723520  0.47216147  0.83891597
   0.47846570  0.46705704  0.65553612
   0.21571779  0.37070516  0.69844472
   0.29000318  0.19623170 -0.11733913
   0.06336243  0.15439668  0.96310435
   0.16204783  0.61083251  0.11332959
   0.38604313  0.69131437  0.28424961
   0.12750199  0.86090921  0.04335751
   0.33900939  0.93061443  0.36867564
   0.40884204  0.92504949  0.17868686
   0.17139363  0.83950307  0.23344985
   0.34630298  0.66291945  0.46634908
   0.09463683  0.62229564  0.40162454
   0.23185959  0.45431061  0.53065398
   0.27798417  0.70786309  0.76061947
   0.13620482  0.72666262  0.56568571
   0.38152743  0.99372122  0.78064099
   0.50412418  0.87863578  0.63339826
   0.22750772  0.97770923  0.62257291
   0.28981362  0.68313672 -0.04695949
   0.03610426  0.65547894  0.94032710
   0.60931279  0.05800927  0.10945770
   0.86819166  0.23605886  0.24943975
   0.60325495  0.28650203  0.01997724
   0.88533900  0.45828776  0.36304982
   0.04140400  0.38137610  0.17265496
   0.77552885  0.45719379  0.13090007
   0.66985828  0.16699391  0.37599729
   0.44233837  0.13167343  0.47930102
   0.69800949  0.06608791  0.54852273
   0.86017760  0.24094490  0.84493849
   0.62237126  0.32309364  0.52683747
   0.87079779  0.49971247  0.85116314
   0.98573433  0.48017423  0.59450031
   0.73086520  0.37712951  0.70376200
   0.79217699  0.07718529  0.97866448
   0.54006368  0.07340021  0.91612273
   0.54254272  0.53776076  0.03205136
   0.88854073  0.70486511  0.27391441
   0.54762410  0.80588456  0.03594789
   0.84465822  0.97785650  0.31425701
   0.91530595  0.88950930  0.14106668
   0.65485701  0.83314663  0.21600505
   0.84754149  0.69616042  0.45563862
   0.59748625  0.60277068  0.39595670
   0.68595076  0.58566533  0.57312229
   0.82935864  0.75010457  0.80607489
   0.62624764  0.83917732  0.47335775
   0.96983904  0.98680235  0.82785911
   0.99981882  0.84422762  0.68492012
   0.73488305  0.96971241  0.71339505
   0.76784407  0.66920203  0.97646486
   0.51885583  0.68345663  0.87309657
   0.73434836  0.78932727  0.59613474
   0.35593960  0.76087844  0.44857704
   0.88940114  0.25033199  0.06456537
   0.90123606  0.39303225  0.40494803
   0.43233967  0.11117099  0.63027352
   0.10481215  0.73702557  0.71620812
   0.18478877  1.13385225  0.16993580
   0.30432699  1.15730451  0.06418000
   0.66592935  0.38605975  0.87211986
   0.78698004  0.57962736  0.58039278
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.679151    0.161685   -0.144376
    -0.000000    9.829824    0.006024
    -0.000000    0.000000   14.003204
   Si   O    H 
    32    64    10
Direct configuration=  3005
   0.21418412  0.22184275 -0.01749578
   0.34548240  0.09713218  0.37889832
   0.16461355  0.44590728  0.11642085
   0.41827555  0.35772249  0.25921465
   0.07550594  0.13036412  0.47591637
   0.42743507  0.12649545  0.83756846
   0.11106610  0.38026587  0.60544187
   0.37022075  0.39430607  0.73235458
   0.15446980  0.69996057  0.01162429
   0.44185403  0.59597937  0.37041813
   0.07805162  0.92013606  0.14533587
   0.32959431  0.84027596  0.26433726
   0.18211293  0.60290956  0.49519102
   0.35887413  0.64257059  0.84654523
   0.10337571  0.87972711  0.59710562
   0.38460974  0.98684550  0.66577775
   0.63764335  0.12827801  1.00672153
   0.82463530  0.13630568  0.33853393
   0.61199560  0.41568894  0.08950204
   0.88481910  0.32302133  0.15738615
   0.60384275  0.17231512  0.48356426
   0.91920124  0.11130765  0.90247198
   0.62647962  0.42555390  0.61944339
   0.78311995  0.37664467  0.81398190
   0.59905629  0.67088561 -0.02741629
   0.93029108  0.61464351  0.37071655
   0.55892524  0.90481056  0.13299249
   0.82292522  0.85392949  0.23536496
   0.69019053  0.69011472  0.47438321
   0.87579349  0.64578973  0.89411087
   0.67036967  0.91368060  0.59184239
   0.87124003  0.89560880  0.75895745
   0.09744850  0.08261443  0.16161592
   0.39960504  0.19460677  0.28865466
   0.20187725  0.37788066  0.01589247
   0.40823250  0.43650972  0.36457001
   0.54801953  0.38051486  0.19379031
   0.28453291  0.41108721  0.19471567
   0.19033184  0.14992541  0.39770979
  -0.06699997  0.17710445  0.42143471
   0.04326075 -0.02711480  0.51533123
   0.47668933  0.24386297  0.76462790
   0.09318705  0.23221673  0.55997679
   0.37550591  0.47220940  0.84041035
   0.47791977  0.46649081  0.65490320
   0.21427121  0.36986340  0.69737145
   0.28966051  0.19647317 -0.11796354
   0.06330450  0.15367382  0.96460133
   0.16205713  0.61039761  0.11430279
   0.38719427  0.69185095  0.28495468
   0.12907135  0.86262028  0.04295798
   0.33949129  0.92968906  0.36977145
   0.40994138  0.92654324  0.17886870
   0.17202003  0.83748320  0.23412896
   0.34695807  0.66347803  0.46537257
   0.09316698  0.62429514  0.40225451
   0.23252046  0.45461247  0.53075778
   0.27705671  0.70641481  0.75989145
   0.13651349  0.72600177  0.56498222
   0.38135763  0.99336839  0.78047389
   0.50327777  0.87814529  0.63327253
   0.22874489  0.98048186  0.62241898
   0.29274324  0.68297283 -0.04735684
   0.03634064  0.65495995  0.94013955
   0.60880063  0.05759321  0.10941704
   0.86810623  0.23422312  0.24943871
   0.60245116  0.28631621  0.01966106
   0.88658965  0.45821065  0.36330800
   0.04208066  0.38059825  0.17360326
   0.77263854  0.45665541  0.12960597
   0.67057016  0.16763512  0.37613269
   0.44295660  0.13163521  0.47930627
   0.69835935  0.06580095  0.54955258
   0.86056074  0.24021758  0.84524007
   0.62300288  0.32323832  0.52611669
   0.86890391  0.49903344  0.85086116
   0.98591364  0.47953357  0.59311113
   0.72947157  0.37782229  0.70269048
   0.79134038  0.07689582  0.97952287
   0.54026821  0.07474794  0.91553723
   0.54090953  0.53984130  0.03106192
   0.88997432  0.70695892  0.27572640
   0.54811513  0.80649049  0.03747785
   0.84366506  0.97600272  0.31438966
   0.91437049  0.89029921  0.14275637
   0.65567265  0.83432718  0.21583082
   0.84911186  0.69677686  0.45464716
   0.59932158  0.60146972  0.39681272
   0.68534927  0.58524084  0.57132050
   0.82849422  0.74903382  0.80602920
   0.62591348  0.84136450  0.47424094
   0.96833114  0.98644957  0.82918557
   1.00013984  0.84278618  0.68594882
   0.73477966  0.96927884  0.71391646
   0.76780311  0.67092613  0.97628848
   0.52077962  0.68364632  0.87212320
   0.74610340  0.77707101  0.59212961
   0.35609767  0.76121520  0.45226068
   0.88489102  0.25124362  0.06405027
   0.91006010  0.37879713  0.40777383
   0.42974734  0.11211641  0.62701398
   0.11594729  0.75562961  0.71710580
   0.17531240  1.13523268  0.17071807
   0.30186776  1.15659553  0.06113615
   0.65525933  0.38709059  0.87486241
   0.78664710  0.57006967  0.58147199
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.677179    0.161860   -0.143329
    -0.000000    9.828825    0.007191
    -0.000000    0.000000   14.004836
   Si   O    H 
    32    64    10
Direct configuration=  3006
   0.21463270  0.22103290 -0.01787980
   0.34582664  0.09674392  0.37916005
   0.16475769  0.44715192  0.11716093
   0.41878327  0.35736263  0.25957288
   0.07602175  0.12997641  0.47439901
   0.42895212  0.12658499  0.83840709
   0.11101327  0.37910331  0.60548504
   0.37044787  0.39476954  0.73349199
   0.15450885  0.70087678  0.01226986
   0.44178434  0.59604506  0.37047193
   0.07763176  0.91961815  0.14524405
   0.33041011  0.84046261  0.26326688
   0.18135209  0.60244098  0.49564297
   0.35704603  0.64073697  0.84671899
   0.10292127  0.88036827  0.59703649
   0.38464668  0.98694285  0.66621717
   0.63819261  0.12886659  1.00703414
   0.82505123  0.13613503  0.33841981
   0.61300246  0.41651329  0.08980016
   0.88408136  0.32206239  0.15628824
   0.60452892  0.17217603  0.48457620
   0.91934259  0.11118189  0.90227334
   0.62594646  0.42571308  0.61883833
   0.78241471  0.37687925  0.81410566
   0.59735784  0.67079086 -0.02754691
   0.93198077  0.61406200  0.37017044
   0.55936056  0.90470075  0.13225088
   0.82210586  0.85300351  0.23489475
   0.69144971  0.68855268  0.47381116
   0.87615059  0.64698114  0.89404142
   0.67034387  0.91348107  0.59152386
   0.87204523  0.89332654  0.75916544
   0.09687463  0.08464997  0.16186296
   0.39878890  0.19450442  0.28784516
   0.20117535  0.37616889  0.01623087
   0.40924643  0.43661518  0.36405607
   0.54735160  0.38082375  0.19321767
   0.28396558  0.41164210  0.19492804
   0.19103905  0.14787399  0.39780177
  -0.06456307  0.17654986  0.42150482
   0.04197668 -0.02593049  0.51590255
   0.48095089  0.24265530  0.76422079
   0.09381032  0.23170211  0.55994246
   0.37390485  0.47151521  0.84125808
   0.47683378  0.46639944  0.65388109
   0.21309836  0.36933097  0.69751616
   0.28886893  0.19730548 -0.11868499
   0.06321481  0.15268590  0.96602055
   0.16204492  0.61091543  0.11484406
   0.38876600  0.69326462  0.28593007
   0.13062341  0.86368812  0.04265402
   0.33958765  0.92851382  0.37038549
   0.41064170  0.92746792  0.17909112
   0.17180659  0.83521190  0.23517870
   0.34735198  0.66393275  0.46378462
   0.09126658  0.62637409  0.40216710
   0.23357920  0.45522405  0.53137965
   0.27661832  0.70627577  0.75870882
   0.13653453  0.72498699  0.56458760
   0.38080782  0.99178092  0.78015536
   0.50348565  0.87746322  0.63222422
   0.22992942  0.98301894  0.62221317
   0.29529071  0.68237684 -0.04780512
   0.03569479  0.65432142  0.93946736
   0.60816911  0.05757885  0.10901776
   0.86804196  0.23220396  0.25004687
   0.60206928  0.28664286  0.01905587
   0.88742967  0.45697940  0.36345575
   0.04213864  0.37904560  0.17408305
   0.76941403  0.45546056  0.12837484
   0.67071753  0.16899083  0.37627404
   0.44343815  0.13072584  0.47906920
   0.69829381  0.06604703  0.55047413
   0.86100647  0.23965485  0.84544681
   0.62307732  0.32423854  0.52584806
   0.86775962  0.49830276  0.85094205
   0.98578740  0.47898701  0.59177280
   0.72973401  0.37887238  0.70181110
   0.79125138  0.07688365  0.98003585
   0.54133573  0.07614714  0.91545500
   0.53923723  0.54156991  0.03028000
   0.89059274  0.71019730  0.27735783
   0.54857635  0.80801345  0.03937933
   0.84370801  0.97437978  0.31432424
   0.91311187  0.88998727  0.14476860
   0.65595547  0.83536063  0.21553325
   0.85053442  0.69675460  0.45356212
   0.60073725  0.60082243  0.39780190
   0.68483492  0.58396429  0.56936598
   0.82779934  0.74845490  0.80607996
   0.62562674  0.84396482  0.47522217
   0.96623771  0.98618984  0.83121940
   1.00136013  0.84107676  0.68682535
   0.73450390  0.96902544  0.71474539
   0.76723434  0.67193176  0.97623937
   0.52252814  0.68321811  0.87094393
   0.75558261  0.77105486  0.59258945
   0.35482834  0.76754980  0.45622893
   0.88121443  0.25091437  0.06589182
   0.91730138  0.37062707  0.40737487
   0.42747266  0.11399254  0.62353623
   0.12564320  0.77187047  0.72316893
   0.17422166  1.13909434  0.17495555
   0.29859415  1.15692607  0.05372457
   0.64682584  0.38887279  0.87498261
   0.78629011  0.56183074  0.58414263
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.675327    0.162870   -0.142790
    -0.000000    9.828201    0.008414
    -0.000000    0.000000   14.006281
   Si   O    H 
    32    64    10
Direct configuration=  3007
   0.21538795  0.22106656 -0.01845287
   0.34663313  0.09671631  0.37953520
   0.16514239  0.44857552  0.11746756
   0.41830312  0.35683469  0.25930846
   0.07597862  0.12901282  0.47266989
   0.43061500  0.12648916  0.83900981
   0.11175891  0.37817687  0.60499870
   0.37106318  0.39463151  0.73435028
   0.15443824  0.70158053  0.01264974
   0.44168570  0.59602239  0.37104252
   0.07771264  0.91928644  0.14504536
   0.33121659  0.84083079  0.26263352
   0.18077750  0.60164696  0.49635986
   0.35620058  0.63910572  0.84720387
   0.10259659  0.88081178  0.59697524
   0.38502982  0.98735802  0.66647346
   0.63908347  0.12986213  1.00698153
   0.82527537  0.13540733  0.33850795
   0.61446559  0.41771399  0.09073457
   0.88327659  0.32065716  0.15516877
   0.60520252  0.17221468  0.48560054
   0.92035788  0.11094391  0.90259481
   0.62534007  0.42573398  0.61833045
   0.78105575  0.37693107  0.81400008
   0.59589129  0.67095471 -0.02734686
   0.93307576  0.61378923  0.36924360
   0.55933708  0.90450641  0.13157315
   0.82122500  0.85218552  0.23495512
   0.69296289  0.68784554  0.47307821
   0.87591432  0.64778623  0.89403393
   0.67002764  0.91308016  0.59162198
   0.87314857  0.89172028  0.75932347
   0.09606844  0.08594120  0.16199698
   0.39711241  0.19459006  0.28775527
   0.19919957  0.37463257  0.01677691
   0.40945687  0.43664442  0.36313115
   0.54626801  0.38146847  0.19265838
   0.28438255  0.41196291  0.19570361
   0.19120514  0.14525934  0.39751207
  -0.06239970  0.17590178  0.42129863
   0.04088587 -0.02417955  0.51607996
   0.48480000  0.24176335  0.76390162
   0.09411719  0.23138923  0.56014119
   0.37128443  0.47148118  0.84135500
   0.47470127  0.46596169  0.65371872
   0.21257810  0.36877148  0.69833666
   0.28805896  0.19788357 -0.11885645
   0.06261416  0.15224261  0.96757803
   0.16183302  0.61126475  0.11493974
   0.39000795  0.69445990  0.28640010
   0.13217353  0.86402865  0.04239384
   0.34000952  0.92785829  0.37043623
   0.41190330  0.92849641  0.17940849
   0.17062994  0.83373740  0.23610031
   0.34755596  0.66534250  0.46272686
   0.09057229  0.62811702  0.40200120
   0.23427677  0.45608440  0.53240406
   0.27608190  0.70612521  0.75760723
   0.13701894  0.72453470  0.56446492
   0.38084386  0.98963049  0.78018490
   0.50470211  0.87670163  0.63111686
   0.23108723  0.98495857  0.62258821
   0.29690663  0.68229652 -0.04886983
   0.03462928  0.65346237  0.93909424
   0.60818343  0.05759374  0.10867968
   0.86833576  0.23011245  0.25060220
   0.60202066  0.28783986  0.01901769
   0.88882343  0.45536661  0.36385487
   0.04187869  0.37801455  0.17473934
   0.76683073  0.45365376  0.12710145
   0.67085781  0.17004571  0.37684481
   0.44294289  0.13006226  0.47829543
   0.69799077  0.06661834  0.55095109
   0.86120500  0.23870244  0.84551148
   0.62310863  0.32503164  0.52558386
   0.86685732  0.49750600  0.85096752
   0.98617961  0.47825643  0.59112249
   0.73072637  0.37984224  0.70091611
   0.79109521  0.07614243  0.97995844
   0.54237906  0.07761636  0.91559195
   0.53800077  0.54293823  0.02962755
   0.89090848  0.71332911  0.27878382
   0.54906303  0.80882416  0.04107357
   0.84342800  0.97273202  0.31410400
   0.91249997  0.89025252  0.14672814
   0.65606074  0.83609194  0.21555756
   0.85271819  0.69630689  0.45288504
   0.60268992  0.60000344  0.39802569
   0.68408950  0.58151463  0.56776636
   0.82724465  0.74827018  0.80639685
   0.62534249  0.84689926  0.47592040
   0.96451316  0.98630643  0.83274322
   1.00293563  0.83976996  0.68776620
   0.73524003  0.96843323  0.71523802
   0.76703091  0.67241022  0.97622686
   0.52447272  0.68353310  0.86994306
   0.76454787  0.77706063  0.59548896
   0.35640431  0.77224194  0.45725115
   0.87677445  0.24759873  0.06786509
   0.91803164  0.37363020  0.40220626
   0.42683079  0.11640491  0.62400789
   0.13929002  0.78412455  0.73538780
   0.17766931  1.14241525  0.18020613
   0.29860484  1.15651147  0.04770844
   0.64186425  0.38880538  0.87117823
   0.78650695  0.55733897  0.58417527
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.673119    0.162696   -0.142446
    -0.000000    9.827111    0.009921
    -0.000000    0.000000   14.007547
   Si   O    H 
    32    64    10
Direct configuration=  3008
   0.21561328  0.22091634 -0.01939104
   0.34760977  0.09660092  0.37956004
   0.16520947  0.45008057  0.11763257
   0.41727208  0.35637474  0.25923232
   0.07563441  0.12805823  0.47152087
   0.43242184  0.12699467  0.83929903
   0.11242208  0.37744472  0.60416539
   0.37184264  0.39391865  0.73522666
   0.15455426  0.70210204  0.01319166
   0.44173880  0.59538647  0.37103644
   0.07813531  0.91892483  0.14463982
   0.33268360  0.84136956  0.26243214
   0.17979224  0.60089957  0.49708734
   0.35479352  0.63800848  0.84722967
   0.10181558  0.88167883  0.59654070
   0.38567749  0.98733831  0.66658730
   0.63981097  0.13094012  1.00701576
   0.82556142  0.13524336  0.33835856
   0.61580274  0.41859866  0.09133406
   0.88283186  0.31949020  0.15454433
   0.60582741  0.17185286  0.48618210
   0.92168242  0.11134774  0.90278714
   0.62482140  0.42507877  0.61769396
   0.77917269  0.37689082  0.81408432
   0.59429631  0.67142661 -0.02696749
   0.93427147  0.61369770  0.36825642
   0.55901700  0.90392885  0.13085749
   0.82170467  0.85136759  0.23515274
   0.69445652  0.68823537  0.47233973
   0.87596761  0.64849066  0.89381749
   0.66948446  0.91202464  0.59221262
   0.87445044  0.89073207  0.75975858
   0.09612743  0.08806451  0.16247001
   0.39586337  0.19406348  0.28807319
   0.19745063  0.37333729  0.01653140
   0.40982644  0.43610652  0.36215655
   0.54542169  0.38177792  0.19207395
   0.28495242  0.41190476  0.19721682
   0.19147421  0.14350087  0.39694083
  -0.06116162  0.17567764  0.42095278
   0.03947641 -0.02230382  0.51538995
   0.48796393  0.24149976  0.76345530
   0.09385705  0.23087385  0.56000425
   0.36953697  0.47110108  0.84085953
   0.47252189  0.46560928  0.65377158
   0.21204287  0.36786181  0.69910491
   0.28714503  0.19928652 -0.11944790
   0.06195991  0.15185493  0.96841539
   0.16092653  0.61188700  0.11468615
   0.39191090  0.69506197  0.28687721
   0.13383445  0.86380111  0.04212421
   0.34084042  0.92755136  0.36979797
   0.41344561  0.92905844  0.18050296
   0.16915115  0.83221598  0.23614797
   0.34834339  0.66698774  0.46111711
   0.09065319  0.62946362  0.40149317
   0.23470922  0.45707604  0.53382409
   0.27471236  0.70592712  0.75625961
   0.13767692  0.72474024  0.56481088
   0.38054006  0.98730276  0.78045123
   0.50557004  0.87666918  0.63037215
   0.23241912  0.98658622  0.62293007
   0.29700686  0.68229037 -0.04944207
   0.03389803  0.65210585  0.93884895
   0.60835291  0.05714619  0.10782188
   0.86848480  0.22836323  0.25085764
   0.60272614  0.28951858  0.01895644
   0.88988089  0.45322914  0.36433322
   0.04099021  0.37703492  0.17476598
   0.76555245  0.45143744  0.12611856
   0.67063070  0.17125119  0.37756680
   0.44188267  0.12980254  0.47740507
   0.69701665  0.06806946  0.55057545
   0.86174013  0.23868416  0.84532328
   0.62239275  0.32610417  0.52585507
   0.86622099  0.49733356  0.85128940
   0.98561950  0.47778978  0.59072247
   0.73238698  0.38117401  0.70033068
   0.79224683  0.07508132  0.97959994
   0.54402145  0.07852775  0.91596946
   0.53759670  0.54360769  0.03014383
   0.89044940  0.71607391  0.27980189
   0.54977414  0.80910730  0.04202869
   0.84266815  0.97134905  0.31412537
   0.91252112  0.89102315  0.14812812
   0.65635811  0.83641258  0.21534249
   0.85488546  0.69614288  0.45211949
   0.60424099  0.59950181  0.39731722
   0.68336831  0.57878699  0.56732103
   0.82752096  0.74867450  0.80704121
   0.62538801  0.84924918  0.47626529
   0.96302401  0.98642964  0.83399081
   1.00445786  0.83905600  0.68875121
   0.73570389  0.96797843  0.71488032
   0.76641368  0.67261416  0.97642731
   0.52665811  0.68435896  0.86847970
   0.77192870  0.79341442  0.60173062
   0.35931685  0.77020074  0.45914848
   0.87053185  0.24007390  0.06762515
   0.91892733  0.38223008  0.39838911
   0.42530169  0.11786153  0.62472069
   0.16016379  0.78801241  0.74824186
   0.17840073  1.14039528  0.18386174
   0.30269895  1.15615782  0.04822844
   0.64283616  0.38467329  0.86296227
   0.78652574  0.55712866  0.58463257
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.670966    0.162563   -0.141988
    -0.000000    9.825684    0.011633
    -0.000000    0.000000   14.009260
   Si   O    H 
    32    64    10
Direct configuration=  3009
   0.21528610  0.22051660 -0.02019379
   0.34879475  0.09683011  0.37936187
   0.16489799  0.45136521  0.11798091
   0.41586407  0.35603785  0.25927317
   0.07460494  0.12722792  0.47026167
   0.43339517  0.12730644  0.83909275
   0.11361926  0.37743637  0.60280470
   0.37315184  0.39266001  0.73643978
   0.15485047  0.70270488  0.01336801
   0.44157886  0.59516431  0.37115841
   0.07834691  0.91882195  0.14437495
   0.33398936  0.84167157  0.26246141
   0.17869378  0.60063344  0.49716767
   0.35330170  0.63759890  0.84748569
   0.10171774  0.88230943  0.59620942
   0.38684120  0.98799912  0.66712701
   0.64075777  0.13123399  1.00707801
   0.82541664  0.13556442  0.33828969
   0.61667013  0.41976416  0.09187619
   0.88287649  0.31852491  0.15385025
   0.60659408  0.17135390  0.48577272
   0.92307923  0.11182548  0.90377700
   0.62391932  0.42464697  0.61728972
   0.77694845  0.37602835  0.81417380
   0.59305120  0.67231219 -0.02623890
   0.93534270  0.61360681  0.36738977
   0.55851443  0.90365753  0.13065325
   0.82193766  0.85086082  0.23547867
   0.69561020  0.68975427  0.47174881
   0.87589443  0.64915307  0.89347784
   0.66938524  0.91132544  0.59289190
   0.87533434  0.89025952  0.76017981
   0.09626634  0.08915678  0.16294888
   0.39519837  0.19245777  0.28902222
   0.19516505  0.37320078  0.01614544
   0.41080427  0.43591753  0.36128782
   0.54553632  0.38267358  0.19184697
   0.28523908  0.41279109  0.19895291
   0.19241500  0.14176299  0.39588475
  -0.06126901  0.17605116  0.42060257
   0.03760627 -0.02046510  0.51412156
   0.48983013  0.24099429  0.76315962
   0.09336038  0.23018009  0.56000911
   0.36767058  0.47033858  0.84011543
   0.46998763  0.46515091  0.65347153
   0.21168108  0.36673522  0.70014151
   0.28615349  0.20052207 -0.12006399
   0.06112929  0.15156594  0.96906801
   0.16054265  0.61280147  0.11432387
   0.39382785  0.69523563  0.28722180
   0.13542574  0.86281380  0.04168296
   0.34256417  0.92698418  0.36901168
   0.41440386  0.92869429  0.18174468
   0.16678931  0.83116317  0.23618601
   0.34892580  0.66859881  0.46001490
   0.09088782  0.63012371  0.40116798
   0.23599109  0.45653836  0.53560129
   0.27307662  0.70702808  0.75535693
   0.13806770  0.72521603  0.56499547
   0.38068147  0.98500710  0.78080830
   0.50663804  0.87657257  0.62868303
   0.23367368  0.98720263  0.62361049
   0.29743443  0.68232250 -0.05007751
   0.03300390  0.65083865  0.93853312
   0.60805420  0.05678327  0.10710094
   0.86803620  0.22625795  0.25042179
   0.60353079  0.29081800  0.01921915
   0.88953468  0.45258574  0.36419577
   0.03986819  0.37708404  0.17436077
   0.76511057  0.44916152  0.12495245
   0.67007057  0.17201698  0.37819925
   0.44072306  0.12884635  0.47634663
   0.69646337  0.06937168  0.55058147
   0.86233642  0.23895574  0.84490572
   0.62145955  0.32650809  0.52666026
   0.86590130  0.49809613  0.85100286
   0.98475624  0.47770982  0.59049257
   0.73406936  0.38174546  0.70025762
   0.79298153  0.07431958  0.97904843
   0.54638495  0.07967947  0.91649086
   0.53786390  0.54348783  0.03085988
   0.88984560  0.71752972  0.28061364
   0.54981216  0.80917861  0.04251326
   0.84229546  0.96960808  0.31466994
   0.91210406  0.89210094  0.14908712
   0.65684783  0.83675146  0.21465214
   0.85735365  0.69538839  0.45146440
   0.60590541  0.59930512  0.39686976
   0.68348514  0.57637786  0.56687318
   0.82829825  0.74832149  0.80768433
   0.62622374  0.85081786  0.47599084
   0.96247325  0.98720054  0.83492658
   1.00558097  0.83890623  0.68980218
   0.73684827  0.96732033  0.71450027
   0.76656175  0.67263042  0.97700184
   0.52813970  0.68558349  0.86744614
   0.78058101  0.80593747  0.60581065
   0.35831081  0.76742550  0.45993395
   0.86581649  0.23154647  0.06747089
   0.92731349  0.36922987  0.40234918
   0.42484932  0.11961865  0.62554351
   0.19466142  0.78218890  0.76103737
   0.17489887  1.13071041  0.18763200
   0.30982652  1.15090404  0.05039120
   0.64403871  0.38438388  0.85441827
   0.78741380  0.56371535  0.58590265
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.668785    0.162991   -0.141787
    -0.000000    9.824592    0.013463
    -0.000000    0.000000   14.011263
   Si   O    H 
    32    64    10
Direct configuration=  3010
   0.21501730  0.22063585 -0.02064811
   0.35028477  0.09721974  0.37927827
   0.16424823  0.45190523  0.11838457
   0.41504143  0.35560669  0.25942982
   0.07403999  0.12625056  0.46977523
   0.43387949  0.12752280  0.83861120
   0.11488314  0.37757618  0.60206460
   0.37432804  0.39111966  0.73759897
   0.15535501  0.70328985  0.01325378
   0.44187907  0.59463629  0.37088246
   0.07827845  0.91869947  0.14452340
   0.33528079  0.84280642  0.26238753
   0.17765357  0.60013872  0.49724448
   0.35217136  0.63789163  0.84775426
   0.10189901  0.88270199  0.59597581
   0.38849119  0.98910091  0.66761759
   0.64096331  0.13080656  1.00730536
   0.82560271  0.13523811  0.33860336
   0.61709901  0.42131044  0.09189610
   0.88245483  0.31824329  0.15312300
   0.60715585  0.17071888  0.48582175
   0.92408582  0.11140546  0.90480185
   0.62279869  0.42408877  0.61627740
   0.77490035  0.37466925  0.81455701
   0.59173529  0.67332674 -0.02578155
   0.93589573  0.61361139  0.36637937
   0.55812485  0.90329513  0.13018676
   0.82212171  0.85036645  0.23622034
   0.69721297  0.69125421  0.47141427
   0.87555383  0.64992734  0.89312840
   0.66962602  0.91035807  0.59369215
   0.87604436  0.89037855  0.76030146
   0.09592739  0.08877033  0.16231172
   0.39501001  0.19080644  0.29007911
   0.19210554  0.37397627  0.01580518
   0.41177835  0.43537731  0.36017911
   0.54571629  0.38441317  0.19199891
   0.28571552  0.41336843  0.20089954
   0.19391460  0.14002687  0.39526044
  -0.06182544  0.17700790  0.41981651
   0.03625411 -0.01914658  0.51310140
   0.49033050  0.24114763  0.76257139
   0.09309299  0.22971945  0.55999206
   0.36597322  0.47025456  0.83991752
   0.46621349  0.46541961  0.65354690
   0.21118726  0.36513509  0.70104139
   0.28574823  0.20063878 -0.12170121
   0.06004653  0.15120091  0.96963070
   0.15970460  0.61429829  0.11361353
   0.39513230  0.69447238  0.28704104
   0.13652706  0.86224663  0.04085869
   0.34357580  0.92600561  0.36822696
   0.41483577  0.92865863  0.18298766
   0.16468396  0.83094899  0.23666143
   0.34933980  0.67052527  0.45957294
   0.09141045  0.62994288  0.40071249
   0.23696860  0.45572078  0.53659818
   0.27157743  0.70773907  0.75440578
   0.13877957  0.72626619  0.56506576
   0.38130922  0.98349501  0.78179429
   0.50832282  0.87649104  0.62735870
   0.23448637  0.98747341  0.62460511
   0.29763190  0.68181237 -0.05031674
   0.03279057  0.64952382  0.93859519
   0.60796495  0.05649817  0.10617286
   0.86727360  0.22405715  0.24982897
   0.60409689  0.29203594  0.01893023
   0.89046825  0.45277002  0.36354462
   0.03814939  0.37810220  0.17341717
   0.76615602  0.44594999  0.12356343
   0.67037005  0.17191679  0.37827610
   0.44064579  0.12801610  0.47542992
   0.69522123  0.07035861  0.55096545
   0.86307520  0.23938855  0.84403840
   0.62139064  0.32719810  0.52723701
   0.86689157  0.49868966  0.85078454
   0.98365434  0.47755259  0.59098185
   0.73623900  0.38200935  0.70030820
   0.79449411  0.07321375  0.97899451
   0.54939643  0.08088040  0.91733535
   0.53832775  0.54293009  0.03176387
   0.88936850  0.71805112  0.28154343
   0.55002414  0.80870788  0.04217870
   0.84153324  0.96855234  0.31502940
   0.91170120  0.89392502  0.14953064
   0.65765488  0.83725071  0.21382857
   0.85871328  0.69459255  0.45117738
   0.60669503  0.59987098  0.39663579
   0.68346427  0.57406886  0.56652370
   0.82852978  0.74837204  0.80853690
   0.62721236  0.85122273  0.47598819
   0.96214272  0.98819437  0.83599123
   1.00606173  0.83955067  0.69043331
   0.73911827  0.96649926  0.71436570
   0.76631591  0.67243386  0.97793263
   0.52856616  0.68610007  0.86626407
   0.78525352  0.81535933  0.60487650
   0.35861410  0.76759914  0.45774025
   0.86125306  0.22445085  0.06890118
   0.92814147  0.36547059  0.40146646
   0.42692688  0.11694389  0.62915286
   0.23152060  0.76604983  0.77119823
   0.17782087  1.12166370  0.19373312
   0.30984912  1.14768584  0.05288545
   0.64152010  0.38399115  0.84721490
   0.78754884  0.56884512  0.58668289
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.667140    0.163907   -0.141793
    -0.000000    9.823307    0.015485
    -0.000000    0.000000   14.013249
   Si   O    H 
    32    64    10
Direct configuration=  3011
   0.21457774  0.22098639 -0.02135791
   0.35104792  0.09721145  0.37907271
   0.16410589  0.45219332  0.11908294
   0.41456109  0.35482338  0.25959090
   0.07342824  0.12526744  0.46966794
   0.43428738  0.12761017  0.83822459
   0.11630308  0.37763454  0.60156205
   0.37536834  0.38943172  0.73865158
   0.15532068  0.70369273  0.01260901
   0.44272802  0.59376273  0.37095927
   0.07832955  0.91823519  0.14477663
   0.33642464  0.84459816  0.26250734
   0.17662605  0.60033696  0.49781781
   0.35124456  0.63845615  0.84772539
   0.10164415  0.88292882  0.59539504
   0.39047822  0.98983674  0.66797550
   0.64087466  0.13090637  1.00728164
   0.82564562  0.13468348  0.33909854
   0.61780720  0.42299253  0.09172461
   0.88148956  0.31782052  0.15197732
   0.60695898  0.17021643  0.48629339
   0.92426922  0.11104629  0.90542366
   0.62244605  0.42369760  0.61578383
   0.77368145  0.37354417  0.81494987
   0.59096494  0.67440574 -0.02564726
   0.93650090  0.61351088  0.36503223
   0.55816438  0.90302051  0.13044521
   0.82176340  0.84964195  0.23737937
   0.69834760  0.69239628  0.47077253
   0.87581941  0.65138143  0.89296048
   0.66992167  0.90929220  0.59449669
   0.87675692  0.89058980  0.76004395
   0.09520576  0.08820165  0.16223455
   0.39485269  0.19008334  0.29073772
   0.18860139  0.37544248  0.01536578
   0.41262699  0.43514552  0.35954692
   0.54529350  0.38635251  0.19209649
   0.28668370  0.41424848  0.20255654
   0.19540293  0.13875419  0.39491070
  -0.06239538  0.17838966  0.41850306
   0.03497087 -0.01851259  0.51197083
   0.49085615  0.24159550  0.76154260
   0.09329737  0.22969611  0.56008111
   0.36416473  0.47042492  0.83916239
   0.46278988  0.46590418  0.65352239
   0.21188496  0.36327942  0.70204627
   0.28562888  0.20095211 -0.12344230
   0.05840452  0.15048510  0.97025173
   0.15907612  0.61575684  0.11332859
   0.39620381  0.69398150  0.28686112
   0.13777055  0.86160260  0.03976846
   0.34441849  0.92556972  0.36731742
   0.41561127  0.92879559  0.18429992
   0.16259090  0.83105399  0.23705640
   0.34890263  0.67166344  0.45918222
   0.09258464  0.62972285  0.39984522
   0.23761631  0.45536321  0.53689231
   0.27365331  0.70410991  0.75212649
   0.13884854  0.72735438  0.56506734
   0.38212110  0.98179055  0.78319899
   0.50926162  0.87572428  0.62627147
   0.23523539  0.98755673  0.62530839
   0.29731762  0.68127197 -0.04990925
   0.03362403  0.64798791  0.93898075
   0.60758286  0.05635945  0.10551995
   0.86644280  0.22255795  0.24915367
   0.60393102  0.29304465  0.01864952
   0.89131058  0.45267945  0.36351664
   0.03657534  0.37911979  0.17253884
   0.76909924  0.44328419  0.12225393
   0.67049315  0.17193063  0.37826833
   0.44069589  0.12775050  0.47507601
   0.69419154  0.07046151  0.55163380
   0.86403559  0.23966777  0.84356509
   0.61965870  0.32725686  0.52747783
   0.86794356  0.49939044  0.85102010
   0.98238989  0.47759855  0.59119653
   0.73770044  0.38239397  0.69978566
   0.79647597  0.07217452  0.97868011
   0.55309017  0.08233981  0.91727421
   0.53844442  0.54169243  0.03253984
   0.88843285  0.71758976  0.28259335
   0.55092299  0.80809555  0.04123257
   0.84103521  0.96781795  0.31560127
   0.91094649  0.89593055  0.14898151
   0.65833513  0.83782691  0.21328183
   0.86035026  0.69343695  0.45214819
   0.60724776  0.60070409  0.39613763
   0.68367528  0.57125629  0.56639614
   0.82835753  0.74802111  0.80857272
   0.62846698  0.85089391  0.47643042
   0.96172787  0.98914948  0.83676054
   1.00727407  0.84025859  0.69096600
   0.74091395  0.96556701  0.71395689
   0.76655976  0.67253905  0.97894397
   0.52918308  0.68693909  0.86499164
   0.79092325  0.81206977  0.60243311
   0.36177245  0.77196786  0.45768818
   0.85736645  0.22110165  0.07285870
   0.92210787  0.36931598  0.39480784
   0.43154394  0.11889931  0.63125951
   0.21311576  0.81904586  0.79813156
   0.18300998  1.11124186  0.19642364
   0.30395064  1.14251734  0.05551559
   0.63290281  0.38630871  0.84338839
   0.78161525  0.57548412  0.58852137
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.665578    0.164568   -0.141312
    -0.000000    9.822145    0.017758
    -0.000000    0.000000   14.015325
   Si   O    H 
    32    64    10
Direct configuration=  3012
   0.21376399  0.22062468 -0.02218394
   0.35161173  0.09735777  0.37886894
   0.16380051  0.45227805  0.11964207
   0.41472529  0.35318640  0.26025902
   0.07321974  0.12495339  0.46980597
   0.43500039  0.12758234  0.83785613
   0.11808273  0.37814293  0.60138785
   0.37600819  0.38767324  0.73930461
   0.15539173  0.70382745  0.01190804
   0.44329961  0.59351178  0.37114331
   0.07824471  0.91782231  0.14460999
   0.33733381  0.84691171  0.26260152
   0.17616777  0.60038021  0.49846120
   0.35138484  0.63901353  0.84751609
   0.10138599  0.88292559  0.59515340
   0.39275819  0.98997685  0.66827997
   0.64077814  0.13158337  1.00757266
   0.82523371  0.13355158  0.33976912
   0.61816983  0.42391847  0.09159873
   0.88019228  0.31672007  0.15127356
   0.60635118  0.16985612  0.48641974
   0.92384965  0.11122195  0.90627125
   0.62146621  0.42349525  0.61579530
   0.77294717  0.37281672  0.81471587
   0.59058101  0.67510477 -0.02608741
   0.93760183  0.61342806  0.36390017
   0.55880436  0.90290267  0.13082169
   0.82107543  0.84953252  0.23854389
   0.69915050  0.69401266  0.47028399
   0.87598410  0.65260594  0.89268012
   0.66946990  0.90835484  0.59493480
   0.87744186  0.89115434  0.75984158
   0.09486901  0.08830721  0.16200880
   0.39513637  0.19003087  0.29073927
   0.18507382  0.37693538  0.01503332
   0.41335713  0.43518487  0.35866910
   0.54481724  0.38769991  0.19289821
   0.28694096  0.41455707  0.20320941
   0.19642552  0.13771992  0.39411615
  -0.06404150  0.18034250  0.41690890
   0.03373922 -0.01846376  0.51073640
   0.49098693  0.24193897  0.76037310
   0.09326373  0.22898934  0.55950717
   0.36261463  0.47066713  0.83833401
   0.45923686  0.46636233  0.65391287
   0.21312169  0.36247007  0.70282149
   0.28512428  0.20171097 -0.12532949
   0.05748204  0.14951081  0.97076385
   0.15817008  0.61735483  0.11335320
   0.39660766  0.69291600  0.28673313
   0.13872235  0.86140499  0.03933620
   0.34547549  0.92542405  0.36628019
   0.41631416  0.92903447  0.18571246
   0.16150585  0.83047298  0.23763036
   0.34882094  0.67312454  0.45903439
   0.09444373  0.62907387  0.39876940
   0.23863418  0.45564821  0.53700300
   0.27576032  0.70126546  0.75092461
   0.13936677  0.72809831  0.56469877
   0.38294164  0.97982278  0.78505692
   0.50974987  0.87594692  0.62547519
   0.23506542  0.98719424  0.62613347
   0.29772555  0.68048532 -0.04895158
   0.03488726  0.64684970  0.93902483
   0.60666433  0.05713778  0.10535096
   0.86536709  0.22140264  0.24832997
   0.60381036  0.29426588  0.01839105
   0.89168062  0.45252085  0.36341817
   0.03549344  0.38073286  0.17172086
   0.77348635  0.44130174  0.12135494
   0.67047510  0.17201382  0.37854653
   0.44077404  0.12710865  0.47454246
   0.69335089  0.06960814  0.55285074
   0.86516923  0.24000555  0.84308080
   0.61808246  0.32732181  0.52760660
   0.86890634  0.49987988  0.85175028
   0.98187204  0.47813536  0.59134222
   0.73794923  0.38349444  0.69894056
   0.79795869  0.07104485  0.97915277
   0.55545850  0.08332767  0.91687686
   0.53891518  0.54105472  0.03357383
   0.88732294  0.71616564  0.28376669
   0.55159953  0.80762962  0.04034492
   0.84081563  0.96821707  0.31619311
   0.90972133  0.89741747  0.14798700
   0.65860268  0.83799272  0.21279659
   0.86167421  0.69280243  0.45329855
   0.60772340  0.60105885  0.39601386
   0.68354590  0.56851118  0.56659824
   0.82807181  0.74862115  0.80876068
   0.62909973  0.84942461  0.47701610
   0.96146541  0.98995468  0.83735962
   1.00789504  0.84148785  0.69125199
   0.74315742  0.96444618  0.71342740
   0.76651712  0.67222398  0.98055753
   0.52911955  0.68728421  0.86327723
   0.79448499  0.80393969  0.59773150
   0.36255748  0.77591464  0.45889658
   0.85458662  0.21633765  0.07766066
   0.91728723  0.37554665  0.39074487
   0.43457075  0.12058958  0.63410533
   0.20056827  0.85843997  0.81698859
   0.18661966  1.10547374  0.19842674
   0.29669999  1.14470410  0.05334841
   0.62058110  0.38758526  0.84164128
   0.77875749  0.58279376  0.59432695
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.663829    0.165436   -0.140358
    -0.000000    9.821739    0.019636
    -0.000000    0.000000   14.017672
   Si   O    H 
    32    64    10
Direct configuration=  3013
   0.21284296  0.22051199 -0.02289237
   0.35262661  0.09742557  0.37829898
   0.16310649  0.45214657  0.12018173
   0.41490054  0.35153115  0.26085417
   0.07247230  0.12446160  0.46999832
   0.43516715  0.12727515  0.83793241
   0.11969417  0.37867418  0.60137511
   0.37684100  0.38636705  0.74000936
   0.15496745  0.70298153  0.01128113
   0.44446813  0.59374151  0.37127787
   0.07814672  0.91793590  0.14458866
   0.33776897  0.84904142  0.26320714
   0.17528411  0.59986006  0.49966727
   0.35146321  0.63946755  0.84717015
   0.10136967  0.88266028  0.59535069
   0.39448403  0.98983800  0.66863137
   0.64095169  0.13215118  1.00765829
   0.82480256  0.13193155  0.34043057
   0.61774929  0.42430374  0.09130398
   0.87961372  0.31584003  0.15104519
   0.60575408  0.16997949  0.48625426
   0.92271786  0.11114899  0.90748462
   0.62022637  0.42329496  0.61627430
   0.77170302  0.37269840  0.81451542
   0.59042170  0.67562932 -0.02633556
   0.93864070  0.61346344  0.36316298
   0.55927620  0.90339182  0.13131026
   0.82024809  0.84983521  0.23955582
   0.69994876  0.69602677  0.47010404
   0.87586145  0.65355677  0.89293097
   0.66925127  0.90849887  0.59553720
   0.87759714  0.89164987  0.75980323
   0.09546260  0.08725315  0.16163690
   0.39590736  0.19009000  0.29092891
   0.18186542  0.37905987  0.01474159
   0.41314734  0.43611555  0.35792819
   0.54496389  0.38887011  0.19358845
   0.28598029  0.41563511  0.20350028
   0.19707573  0.13716361  0.39362338
  -0.06569054  0.18203347  0.41569127
   0.03307317 -0.01947936  0.50977376
   0.49128355  0.24289426  0.75953591
   0.09361001  0.22854839  0.55849159
   0.36169024  0.47014518  0.83764819
   0.45669105  0.46642357  0.65391482
   0.21513009  0.36173992  0.70294924
   0.28483898  0.20212690 -0.12770139
   0.05692226  0.14861632  0.97112661
   0.15771326  0.61796635  0.11326974
   0.39659205  0.69158549  0.28640185
   0.13885246  0.86093552  0.03923757
   0.34740131  0.92522624  0.36518708
   0.41737497  0.92894984  0.18713967
   0.16102524  0.82984510  0.23812918
   0.34816444  0.67424262  0.45919506
   0.09613456  0.62952392  0.39761968
   0.23954132  0.45662206  0.53666711
   0.27749727  0.69893058  0.75100415
   0.14004687  0.72963557  0.56417477
   0.38386262  0.97843259  0.78690359
   0.50935298  0.87612190  0.62455799
   0.23515176  0.98636829  0.62664122
   0.29750859  0.68012342 -0.04767309
   0.03497334  0.64578880  0.93911899
   0.60551363  0.05704027  0.10517598
   0.86378060  0.22033331  0.24763992
   0.60286477  0.29536387  0.01716833
   0.89205184  0.45407129  0.36260336
   0.03364281  0.38200834  0.17073241
   0.77794820  0.43949018  0.12043898
   0.67154085  0.17345178  0.37905121
   0.44079564  0.12681732  0.47456148
   0.69287779  0.06930412  0.55366445
   0.86617502  0.24064252  0.84246512
   0.61715018  0.32619020  0.52743406
   0.86966354  0.49920543  0.85248404
   0.98285742  0.47949965  0.59123957
   0.73799348  0.38469488  0.69830911
   0.79993061  0.07009632  0.97988182
   0.55676282  0.08390344  0.91678865
   0.53898627  0.54079831  0.03469126
   0.88605769  0.71442683  0.28478129
   0.55107834  0.80707310  0.03919065
   0.84013611  0.96957779  0.31654866
   0.90802831  0.89865042  0.14633066
   0.65890036  0.83740488  0.21231393
   0.86240695  0.69256698  0.45387560
   0.60739042  0.60235595  0.39608472
   0.68456414  0.56646536  0.56660426
   0.82794949  0.74928000  0.80881848
   0.62913574  0.84756589  0.47662419
   0.96049915  0.99010591  0.83746220
   1.00809266  0.84262180  0.69099253
   0.74538210  0.96375112  0.71309633
   0.76660716  0.67279151  0.98198927
   0.52960772  0.68758993  0.86210939
   0.79694000  0.79718185  0.59348313
   0.35986763  0.77678401  0.45700027
   0.85131728  0.21201831  0.08063321
   0.92100551  0.36062297  0.39476625
   0.44401230  0.12571091  0.63649032
   0.19174743  0.88660643  0.83272455
   0.18102299  1.10181456  0.19720336
   0.28820931  1.14873744  0.04892321
   0.61395787  0.38743495  0.84067798
   0.77097703  0.58842315  0.59832413
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.661965    0.165862   -0.139880
    -0.000000    9.821272    0.021071
    -0.000000    0.000000   14.019746
   Si   O    H 
    32    64    10
Direct configuration=  3014
   0.21206315  0.22002771 -0.02352169
   0.35358510  0.09738098  0.37822914
   0.16280772  0.45139899  0.12099362
   0.41523802  0.34943119  0.26133982
   0.07174796  0.12446431  0.47008272
   0.43571362  0.12767572  0.83757649
   0.12037103  0.37904768  0.60154560
   0.37631955  0.38522064  0.74099330
   0.15451321  0.70246203  0.01097975
   0.44500378  0.59423893  0.37120592
   0.07764505  0.91789404  0.14490929
   0.33790017  0.85084147  0.26385925
   0.17494222  0.59945492  0.50060547
   0.35184866  0.64035133  0.84694837
   0.10283035  0.88225357  0.59548870
   0.39621991  0.98952728  0.66885645
   0.64182785  0.13289901  1.00742261
   0.82421069  0.12993111  0.34068695
   0.61750530  0.42405249  0.09092801
   0.87855050  0.31548717  0.15058324
   0.60491736  0.16942525  0.48579382
   0.92139845  0.11081200  0.90858619
   0.61905205  0.42295028  0.61706546
   0.77046443  0.37263042  0.81447062
   0.59016693  0.67605236 -0.02630382
   0.93954721  0.61300866  0.36325066
   0.55992650  0.90385575  0.13191452
   0.81911756  0.84941997  0.24027573
   0.70080279  0.69846359  0.47028727
   0.87606598  0.65427408  0.89344764
   0.66990095  0.90888290  0.59588957
   0.87800904  0.89212717  0.75998364
   0.09680255  0.08682466  0.16091132
   0.39715640  0.19047857  0.29042250
   0.17941482  0.38150430  0.01469025
   0.41300142  0.43645212  0.35766992
   0.54462739  0.38990477  0.19443870
   0.28477425  0.41662426  0.20306581
   0.19741709  0.13645053  0.39263436
  -0.06687998  0.18329885  0.41453125
   0.03209228 -0.02032279  0.50916671
   0.49074595  0.24406031  0.75950820
   0.09359209  0.22771839  0.55795055
   0.36122756  0.47088220  0.83702318
   0.45533680  0.46696300  0.65431236
   0.21668115  0.36028179  0.70268333
   0.28439850  0.20240740 -0.12934302
   0.05591504  0.14762445  0.97157186
   0.15635435  0.61824315  0.11345540
   0.39750538  0.69082907  0.28528614
   0.13908431  0.86164393  0.03996136
   0.34988330  0.92603232  0.36433987
   0.41835623  0.92844028  0.18811412
   0.15959114  0.82928563  0.23803773
   0.34709867  0.67564997  0.45907484
   0.09775432  0.62951795  0.39629509
   0.24069084  0.45776166  0.53598944
   0.27950469  0.69674792  0.75146342
   0.14100236  0.73120283  0.56366506
   0.38482586  0.97784237  0.78866597
   0.50843936  0.87669204  0.62456637
   0.23547318  0.98615533  0.62724189
   0.29733593  0.68015651 -0.04656681
   0.03483718  0.64514899  0.93914456
   0.60469963  0.05662459  0.10499656
   0.86268109  0.21903235  0.24697540
   0.60207615  0.29578250  0.01568479
   0.89293333  0.45540639  0.36258676
   0.03158190  0.38256672  0.17019718
   0.78224958  0.43840949  0.11992559
   0.67267129  0.17400111  0.37931556
   0.44125401  0.12642607  0.47432600
   0.69239218  0.06785979  0.55513979
   0.86687359  0.24183831  0.84237909
   0.61701322  0.32443615  0.52690396
   0.86862531  0.49927625  0.85293539
   0.98461448  0.48092654  0.59134571
   0.73775257  0.38550102  0.69747321
   0.80104625  0.06842807  0.98039241
   0.55790225  0.08466485  0.91642619
   0.53878371  0.54088753  0.03613837
   0.88507213  0.71264918  0.28481518
   0.54997233  0.80746804  0.03792740
   0.83958160  0.97132450  0.31659540
   0.90668693  0.89906032  0.14511015
   0.65861816  0.83672026  0.21184328
   0.86205792  0.69255332  0.45512086
   0.60747890  0.60388772  0.39634917
   0.68550849  0.56491859  0.56661544
   0.82707666  0.75121590  0.80840127
   0.62863004  0.84552572  0.47649910
   0.95960965  0.98918386  0.83732870
   1.00819217  0.84357954  0.69076757
   0.74670524  0.96344151  0.71180768
   0.76638530  0.67292805  0.98287082
   0.52985472  0.68686975  0.86165014
   0.79581659  0.79274460  0.59108444
   0.35644932  0.77308896  0.45518041
   0.84730400  0.20612286  0.08468301
   0.92485528  0.35591666  0.39664875
   0.44906958  0.12957115  0.63950599
   0.18675990  0.90711007  0.84512555
   0.17795012  1.10095938  0.19720240
   0.28314762  1.15179095  0.04660155
   0.61548021  0.39026172  0.84282344
   0.76819615  0.59107065  0.60273334
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.659628    0.166308   -0.139416
    -0.000000    9.820967    0.023406
    -0.000000    0.000000   14.022019
   Si   O    H 
    32    64    10
Direct configuration=  3015
   0.21087377  0.21984568 -0.02448130
   0.35430271  0.09799066  0.37806625
   0.16309709  0.45024165  0.12194484
   0.41480623  0.34772988  0.26131207
   0.07112729  0.12434188  0.46999444
   0.43653519  0.12827312  0.83710390
   0.12074471  0.37940116  0.60175060
   0.37530971  0.38374343  0.74141635
   0.15451619  0.70126239  0.01072722
   0.44539542  0.59490297  0.37117994
   0.07713785  0.91735449  0.14517096
   0.33645438  0.85174750  0.26458313
   0.17493959  0.59949684  0.50148908
   0.35239373  0.64050044  0.84683519
   0.10436552  0.88228206  0.59631816
   0.39735615  0.98935556  0.66892141
   0.64380833  0.13340386  1.00711110
   0.82341197  0.12848875  0.34097701
   0.61757749  0.42367275  0.09071247
   0.87771231  0.31415056  0.15032019
   0.60357836  0.16909808  0.48530432
   0.92067616  0.11094208  0.90943297
   0.61737054  0.42263558  0.61774392
   0.76907614  0.37302955  0.81465782
   0.58994855  0.67636652 -0.02665290
   0.94065322  0.61188577  0.36405828
   0.56047429  0.90429977  0.13217726
   0.81801561  0.84942652  0.24113393
   0.70116794  0.70111966  0.47024672
   0.87603393  0.65462811  0.89401148
   0.67057918  0.90956276  0.59600971
   0.87829326  0.89272659  0.76073303
   0.09877187  0.08557161  0.15953642
   0.39760459  0.19107861  0.28971927
   0.17733827  0.38357218  0.01438466
   0.41283552  0.43581516  0.35735434
   0.54477698  0.39105864  0.19502114
   0.28293845  0.41715146  0.20228770
   0.19744023  0.13605534  0.39166101
  -0.06759325  0.18568118  0.41441612
   0.03153605 -0.02164101  0.50904533
   0.48993774  0.24562292  0.75924275
   0.09353333  0.22738533  0.55790695
   0.36076819  0.47188940  0.83655092
   0.45488680  0.46738904  0.65421424
   0.21783911  0.35837445  0.70238993
   0.28381962  0.20397423 -0.13036974
   0.05556565  0.14660843  0.97217535
   0.15469468  0.61898112  0.11377174
   0.39841849  0.69115476  0.28426493
   0.13902391  0.86213573  0.04025120
   0.35229065  0.92727192  0.36406426
   0.41874359  0.92820279  0.18829243
   0.15842291  0.82880636  0.23729044
   0.34529606  0.67588399  0.45914548
   0.09872816  0.62909568  0.39491409
   0.24271580  0.45829998  0.53583666
   0.28110126  0.69495218  0.75238065
   0.14191143  0.73287410  0.56322166
   0.38572707  0.97775071  0.79051944
   0.50734990  0.87646994  0.62522196
   0.23648515  0.98569992  0.62797639
   0.29754968  0.67963666 -0.04555828
   0.03415479  0.64402562  0.93901097
   0.60420259  0.05597643  0.10473080
   0.86162461  0.21772583  0.24591764
   0.60191286  0.29518776  0.01450075
   0.89385806  0.45573812  0.36257624
   0.02965196  0.38328651  0.16928755
   0.78635900  0.43758732  0.11948408
   0.67452153  0.17483634  0.37944328
   0.44147838  0.12601567  0.47447348
   0.69283942  0.06736541  0.55667695
   0.86757009  0.24241562  0.84235351
   0.61694471  0.32306119  0.52647742
   0.86636932  0.50004880  0.85296787
   0.98737950  0.48205149  0.59130192
   0.73766658  0.38687790  0.69622612
   0.80150594  0.06660790  0.98102573
   0.55852239  0.08507975  0.91585217
   0.53952451  0.54231629  0.03706053
   0.88472795  0.71065979  0.28443388
   0.54819463  0.80735730  0.03665838
   0.83909719  0.97272425  0.31623740
   0.90471773  0.89923271  0.14363150
   0.65836995  0.83636977  0.21127629
   0.86261836  0.69262744  0.45598279
   0.60775932  0.60513662  0.39660668
   0.68665384  0.56423263  0.56693642
   0.82674571  0.75341366  0.80747623
   0.62794252  0.84326292  0.47637664
   0.95804079  0.98758184  0.83707284
   1.00779154  0.84578395  0.69056413
   0.74794143  0.96245798  0.70973313
   0.76675688  0.67194742  0.98302376
   0.53101890  0.68484106  0.86158219
   0.78848344  0.79171848  0.59068998
   0.34898976  0.77195268  0.45408787
   0.84567098  0.20031984  0.08708577
   0.92439745  0.36492552  0.39244624
   0.45232815  0.12837616  0.64371627
   0.17911616  0.92577458  0.85614079
   0.18452681  1.10226881  0.20061317
   0.28202984  1.15048653  0.04886650
   0.62218585  0.39096906  0.84709164
   0.76628967  0.59353548  0.60672272
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.657046    0.166592   -0.138769
    -0.000000    9.820292    0.024930
    -0.000000    0.000000   14.024312
   Si   O    H 
    32    64    10
Direct configuration=  3016
   0.20917487  0.21948377 -0.02498469
   0.35514979  0.09854198  0.37773116
   0.16359957  0.44927947  0.12284776
   0.41449682  0.34632799  0.26125470
   0.07026230  0.12457352  0.46975785
   0.43750124  0.12854071  0.83664406
   0.12044824  0.37979218  0.60244472
   0.37425909  0.38242735  0.74176041
   0.15503432  0.69989370  0.01054587
   0.44606971  0.59554809  0.37070140
   0.07674649  0.91697167  0.14505745
   0.33513633  0.85182015  0.26522505
   0.17546844  0.60000236  0.50176313
   0.35290648  0.64045332  0.84614708
   0.10553428  0.88287987  0.59711762
   0.39832259  0.98967259  0.66884401
   0.64608727  0.13369144  1.00693813
   0.82284849  0.12815596  0.34125423
   0.61810284  0.42297775  0.09058003
   0.87746177  0.31206858  0.15014910
   0.60237652  0.16841471  0.48484899
   0.92030047  0.11126442  0.91052152
   0.61578338  0.42236452  0.61832257
   0.76799885  0.37354221  0.81541948
   0.58970914  0.67688957 -0.02716232
   0.94177225  0.61116703  0.36528567
   0.56090289  0.90404167  0.13204142
   0.81690402  0.85000756  0.24143982
   0.70149680  0.70306523  0.47014829
   0.87566038  0.65491177  0.89427906
   0.67136820  0.91068641  0.59595002
   0.87882696  0.89348441  0.76120553
   0.10149688  0.08390976  0.15878061
   0.39836802  0.19177227  0.28857902
   0.17501234  0.38539343  0.01333602
   0.41357501  0.43428932  0.35736468
   0.54601615  0.39189769  0.19582493
   0.28160392  0.41744729  0.20198436
   0.19616921  0.13563833  0.39099040
  -0.06853052  0.18728611  0.41460039
   0.03185749 -0.02331960  0.50931567
   0.48923931  0.24663319  0.75921389
   0.09369504  0.22711815  0.55766046
   0.36017789  0.47315995  0.83613867
   0.45488226  0.46731195  0.65424707
   0.21856824  0.35623659  0.70193498
   0.28401631  0.20539594 -0.13169547
   0.05523904  0.14529756  0.97262331
   0.15369296  0.61902783  0.11374068
   0.39907675  0.69186660  0.28280531
   0.13859117  0.86211833  0.04105810
   0.35496418  0.92927091  0.36401132
   0.41843510  0.92807631  0.18786695
   0.15798172  0.82918783  0.23578007
   0.34326561  0.67495625  0.45920999
   0.09925372  0.62843971  0.39432186
   0.24421566  0.45879494  0.53587208
   0.28189570  0.69354686  0.75376782
   0.14298886  0.73371794  0.56300271
   0.38604289  0.97825359  0.79133608
   0.50609539  0.87620428  0.62632176
   0.23789148  0.98512690  0.62868882
   0.29754750  0.67817896 -0.04449624
   0.03312733  0.64370532  0.93940279
   0.60378871  0.05587880  0.10430868
   0.85996712  0.21691834  0.24542497
   0.60167492  0.29489917  0.01442255
   0.89411389  0.45645146  0.36240309
   0.02789121  0.38383029  0.16819827
   0.78899709  0.43703390  0.11910129
   0.67591305  0.17472259  0.37990389
   0.44135736  0.12599281  0.47437749
   0.69312637  0.06746746  0.55773928
   0.86850288  0.24256538  0.84271523
   0.61620688  0.32171634  0.52575496
   0.86360077  0.50089931  0.85294728
   0.99056825  0.48277963  0.59157022
   0.73770641  0.38789929  0.69569842
   0.80235630  0.06525671  0.98216640
   0.55790842  0.08532023  0.91436030
   0.53992792  0.54335338  0.03836311
   0.88441432  0.70974309  0.28326726
   0.54604521  0.80828441  0.03553126
   0.83791195  0.97354579  0.31542316
   0.90341226  0.89947373  0.14257282
   0.65868987  0.83583206  0.21073523
   0.86386878  0.69224898  0.45670392
   0.60770538  0.60605672  0.39693071
   0.68772800  0.56371732  0.56739302
   0.82641560  0.75581166  0.80693988
   0.62691287  0.84191233  0.47620469
   0.95642326  0.98653523  0.83686586
   1.00734571  0.84837263  0.68960865
   0.74882745  0.96138692  0.70747643
   0.76709330  0.67107431  0.98309723
   0.53262114  0.68267614  0.86169390
   0.77570738  0.79264573  0.59261693
   0.34092731  0.77552712  0.45329343
   0.84588903  0.19647718  0.08658937
   0.92208601  0.37845660  0.38874991
   0.45483082  0.12128431  0.64918470
   0.17253073  0.94035423  0.86693729
   0.18394820  1.10340652  0.20063843
   0.28674543  1.14902986  0.05247901
   0.62844765  0.39048731  0.85127727
   0.76077473  0.59351216  0.60891675
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.654568    0.166712   -0.137788
    -0.000000    9.819445    0.026177
    -0.000000    0.000000   14.026375
   Si   O    H 
    32    64    10
Direct configuration=  3017
   0.20792068  0.21926114 -0.02520604
   0.35558812  0.09884513  0.37741984
   0.16341323  0.44846053  0.12322084
   0.41392318  0.34566039  0.26081049
   0.06944665  0.12502531  0.46966766
   0.43865273  0.12884063  0.83611816
   0.11953956  0.38034634  0.60321242
   0.37387019  0.38136918  0.74187082
   0.15622627  0.69881715  0.01052704
   0.44685135  0.59573086  0.37038252
   0.07601508  0.91707398  0.14514617
   0.33381592  0.85131871  0.26560723
   0.17566735  0.60131603  0.50203191
   0.35433823  0.64066247  0.84611893
   0.10660124  0.88398486  0.59793407
   0.39897622  0.98995055  0.66845019
   0.64827533  0.13359538  1.00683907
   0.82236594  0.12870065  0.34121048
   0.61850376  0.42244016  0.09093433
   0.87821247  0.30921533  0.15038408
   0.60152064  0.16828062  0.48455175
   0.91991547  0.11166548  0.91151244
   0.61429258  0.42241046  0.61916314
   0.76742922  0.37371492  0.81589733
   0.58938573  0.67712855 -0.02768393
   0.94219546  0.61073010  0.36656294
   0.56075205  0.90368620  0.13191078
   0.81637524  0.85074978  0.24201377
   0.70234062  0.70468920  0.47059232
   0.87556050  0.65480583  0.89476565
   0.67227130  0.91143726  0.59576272
   0.87941327  0.89344166  0.76108944
   0.10435444  0.08104413  0.15865980
   0.39956646  0.19111689  0.28728012
   0.17337368  0.38681577  0.01216598
   0.41430989  0.43334056  0.35786020
   0.54823549  0.39228960  0.19694823
   0.28107430  0.41781653  0.20182066
   0.19461252  0.13530516  0.39015884
  -0.06948332  0.18769991  0.41507499
   0.03218415 -0.02531300  0.50950906
   0.48824308  0.24705416  0.75962007
   0.09321391  0.22701292  0.55731694
   0.36008560  0.47421552  0.83622866
   0.45572271  0.46683132  0.65420695
   0.21880605  0.35475989  0.70116083
   0.28468898  0.20674896 -0.13284623
   0.05557209  0.14403380  0.97336152
   0.15311374  0.61871277  0.11380329
   0.40028214  0.69229048  0.28139687
   0.13730685  0.86122033  0.04175791
   0.35786229  0.93086959  0.36427077
   0.41809416  0.92846364  0.18723872
   0.15845936  0.82954452  0.23426813
   0.34116609  0.67373665  0.45955027
   0.10061184  0.62784063  0.39378547
   0.24535212  0.45878968  0.53672450
   0.28293360  0.69281099  0.75483640
   0.14440181  0.73355173  0.56246826
   0.38561745  0.97916272  0.79210091
   0.50536285  0.87628693  0.62753588
   0.23896715  0.98388677  0.62946781
   0.29799047  0.67705294 -0.04340901
   0.03237650  0.64320449  0.93987262
   0.60339149  0.05639791  0.10431155
   0.85859489  0.21612375  0.24511447
   0.60213189  0.29406565  0.01456128
   0.89345431  0.45819735  0.36142495
   0.02631550  0.38404118  0.16711038
   0.79061607  0.43743561  0.11839195
   0.67676435  0.17431836  0.38048347
   0.44163740  0.12578338  0.47463162
   0.69289984  0.06766470  0.55829827
   0.86917120  0.24256237  0.84337596
   0.61542575  0.32057248  0.52520216
   0.86054602  0.50243902  0.85304854
   0.99357705  0.48369429  0.59171828
   0.73734899  0.38909703  0.69532638
   0.80258867  0.06357718  0.98333525
   0.55664060  0.08589726  0.91277557
   0.54042555  0.54452870  0.03923716
   0.88384595  0.70922826  0.28165773
   0.54435347  0.80886099  0.03476151
   0.83744289  0.97417634  0.31476672
   0.90219248  0.89934090  0.14258224
   0.65915640  0.83599512  0.21022518
   0.86541178  0.69209399  0.45733809
   0.60761152  0.60688259  0.39692219
   0.68853204  0.56331011  0.56832160
   0.82583857  0.75699130  0.80677918
   0.62475756  0.84175014  0.47582995
   0.95509643  0.98617814  0.83695180
   1.00700250  0.85136933  0.68899972
   0.74985764  0.95943306  0.70558704
   0.76634603  0.66972857  0.98330831
   0.53368404  0.68088135  0.86235528
   0.76378793  0.79379664  0.59594878
   0.34014507  0.77689841  0.45222013
   0.84939173  0.19402519  0.08455360
   0.93042152  0.37169513  0.39135110
   0.46046783  0.11429435  0.65236815
   0.16996552  0.95056147  0.87645691
   0.17710541  1.10387314  0.20095407
   0.29651657  1.14496320  0.05396803
   0.63477073  0.38730905  0.85711163
   0.75719895  0.59488982  0.61211340
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.652474    0.167310   -0.137456
    -0.000000    9.819112    0.026657
    -0.000000    0.000000   14.028323
   Si   O    H 
    32    64    10
Direct configuration=  3018
   0.20670032  0.21907702 -0.02551805
   0.35533140  0.09971713  0.37694770
   0.16332449  0.44811787  0.12361203
   0.41360110  0.34546342  0.26005155
   0.06852477  0.12536235  0.46972839
   0.43977214  0.12929854  0.83582787
   0.11860075  0.38078930  0.60368292
   0.37337233  0.38014974  0.74195136
   0.15803995  0.69776029  0.01028522
   0.44693876  0.59604303  0.36981616
   0.07516449  0.91624661  0.14520136
   0.33241392  0.85045770  0.26581849
   0.17562524  0.60278308  0.50180916
   0.35593880  0.64084869  0.84610845
   0.10710790  0.88590578  0.59911226
   0.39913809  0.98962975  0.66830508
   0.64951268  0.13385485  1.00655687
   0.82176760  0.12991542  0.34052740
   0.61961087  0.42198238  0.09160015
   0.87941283  0.30627623  0.15077008
   0.60100370  0.16845362  0.48427224
   0.91981615  0.11260807  0.91213067
   0.61308854  0.42234498  0.61965339
   0.76697376  0.37381645  0.81656896
   0.58905944  0.67711559 -0.02804699
   0.94267045  0.61070843  0.36796295
   0.56054918  0.90280773  0.13154829
   0.81619152  0.85156667  0.24233369
   0.70315054  0.70630066  0.47102207
   0.87579107  0.65422944  0.89515318
   0.67284417  0.91199835  0.59519055
   0.88011720  0.89333695  0.76065225
   0.10616113  0.07772391  0.15862858
   0.40133038  0.18932348  0.28591872
   0.17239636  0.38806495  0.01149413
   0.41469026  0.43171621  0.35820958
   0.54946838  0.39280018  0.19840044
   0.28176047  0.41832104  0.20178681
   0.19323614  0.13517391  0.38912162
  -0.07049605  0.18881483  0.41545427
   0.03242151 -0.02688572  0.51024798
   0.48715136  0.24678082  0.75957201
   0.09297426  0.22753440  0.55678528
   0.35924084  0.47464559  0.83602134
   0.45665289  0.46537088  0.65477827
   0.21966445  0.35343727  0.70036845
   0.28549763  0.20820567 -0.13416316
   0.05568285  0.14237157  0.97463455
   0.15219874  0.61806835  0.11357722
   0.40032192  0.69289079  0.27949548
   0.13539642  0.86094075  0.04292269
   0.36058518  0.93288530  0.36419184
   0.41774955  0.92890506  0.18653671
   0.15977517  0.83080452  0.23268488
   0.33986784  0.67226815  0.45970081
   0.10221786  0.62661223  0.39411876
   0.24592354  0.45928339  0.53759025
   0.28336651  0.69235397  0.75576595
   0.14574325  0.73278378  0.56185662
   0.38454702  0.98029248  0.79241635
   0.50476564  0.87654031  0.62867178
   0.23961933  0.98227398  0.62976320
   0.29892365  0.67629625 -0.04258139
   0.03244204  0.64254031  0.93967329
   0.60354846  0.05728954  0.10387074
   0.85657034  0.21631152  0.24470643
   0.60345244  0.29371368  0.01459584
   0.89344728  0.45875467  0.35997088
   0.02486563  0.38401489  0.16632304
   0.79117440  0.43899116  0.11738686
   0.67662629  0.17408262  0.38160262
   0.44200621  0.12553406  0.47486181
   0.69288844  0.06797460  0.55848509
   0.87051182  0.24244410  0.84416039
   0.61487270  0.31888147  0.52529064
   0.85694257  0.50351309  0.85301984
   0.99636544  0.48402496  0.59240989
   0.73693561  0.39019113  0.69545962
   0.80277376  0.06211370  0.98392875
   0.55477073  0.08637764  0.91152365
   0.54130569  0.54600522  0.03999961
   0.88353786  0.70949271  0.27998345
   0.54291111  0.80944461  0.03444579
   0.83695098  0.97435757  0.31475549
   0.90115757  0.89856663  0.14312934
   0.65907603  0.83596252  0.20980707
   0.86690437  0.69217561  0.45761751
   0.60781205  0.60756007  0.39759148
   0.68868116  0.56271130  0.56955803
   0.82617860  0.75738555  0.80665821
   0.62237130  0.84179055  0.47547315
   0.95349662  0.98624225  0.83706065
   1.00639944  0.85388648  0.68870617
   0.75035024  0.95870476  0.70444332
   0.76500301  0.66785743  0.98310669
   0.53399315  0.67867276  0.86339244
   0.75348521  0.79132616  0.59834251
   0.34025863  0.77644105  0.45225210
   0.85272713  0.19303488  0.08350264
   0.93600302  0.36867305  0.39148462
   0.46787433  0.11213362  0.65137497
   0.17234150  0.95955408  0.88606685
   0.17022465  1.10396667  0.20349231
   0.30718482  1.14481850  0.05386518
   0.63512940  0.38011736  0.86377803
   0.75619674  0.59668598  0.61662606
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.650130    0.167883   -0.137146
    -0.000000    9.818419    0.026929
    -0.000000    0.000000   14.030373
   Si   O    H 
    32    64    10
Direct configuration=  3019
   0.20585511  0.21836172 -0.02615553
   0.35543237  0.09983206  0.37613407
   0.16360852  0.44792779  0.12395005
   0.41314015  0.34564720  0.25939102
   0.06717447  0.12603731  0.46949449
   0.44058363  0.12969759  0.83546833
   0.11829052  0.38120056  0.60406580
   0.37380261  0.38000350  0.74242375
   0.15938593  0.69648021  0.01015039
   0.44714355  0.59689138  0.36890271
   0.07431252  0.91489612  0.14572320
   0.33126983  0.84980383  0.26579583
   0.17549180  0.60390006  0.50146261
   0.35702999  0.64135201  0.84596154
   0.10788219  0.88719848  0.60038107
   0.39872064  0.98940236  0.66846029
   0.65025686  0.13401536  1.00609817
   0.82094498  0.13090671  0.33972798
   0.62046875  0.42162746  0.09228232
   0.88028620  0.30386076  0.15121882
   0.60120819  0.16877889  0.48393250
   0.91984752  0.11342852  0.91220878
   0.61143493  0.42198187  0.62023232
   0.76627842  0.37398455  0.81676447
   0.58890454  0.67754922 -0.02848546
   0.94364767  0.60994837  0.36902468
   0.56045449  0.90137794  0.13109770
   0.81668994  0.85291041  0.24264544
   0.70380361  0.70717969  0.47100349
   0.87590115  0.65327220  0.89564952
   0.67260185  0.91290844  0.59476314
   0.88053858  0.89352321  0.76018613
   0.10698151  0.07414622  0.15810974
   0.40269344  0.18656319  0.28453858
   0.17182300  0.38884894  0.01115063
   0.41480536  0.43067770  0.35899574
   0.55020144  0.39351120  0.19927242
   0.28180784  0.41911661  0.20200442
   0.19160410  0.13534591  0.38861603
  -0.07051812  0.18954352  0.41613385
   0.03259208 -0.02788939  0.51125331
   0.48611757  0.24702932  0.75912202
   0.09286751  0.22824542  0.55687330
   0.35848670  0.47394852  0.83641421
   0.45787247  0.46406575  0.65522251
   0.22002633  0.35228516  0.69961773
   0.28645556  0.20983584 -0.13510171
   0.05684459  0.14089426  0.97557088
   0.15174922  0.61729597  0.11337329
   0.40097346  0.69313926  0.27767891
   0.13285972  0.86077138  0.04360363
   0.36203708  0.93462690  0.36425985
   0.41720401  0.92949465  0.18639986
   0.16168111  0.83221194  0.23136255
   0.33910516  0.67157183  0.45936371
   0.10396212  0.62574854  0.39406482
   0.24629418  0.45906900  0.53883015
   0.28396225  0.69254254  0.75596928
   0.14679364  0.73256076  0.56122813
   0.38422446  0.98214736  0.79223151
   0.50375471  0.87654291  0.62982105
   0.24015507  0.98106137  0.63017473
   0.29973024  0.67602097 -0.04215706
   0.03302563  0.64165896  0.93940160
   0.60361085  0.05820805  0.10380170
   0.85428400  0.21658033  0.24466785
   0.60484903  0.29358237  0.01461479
   0.89372918  0.45945167  0.35924463
   0.02350312  0.38427790  0.16556598
   0.79100828  0.44050885  0.11634880
   0.67683915  0.17376823  0.38247874
   0.44178868  0.12523013  0.47451967
   0.69261733  0.06814800  0.55844345
   0.87150183  0.24250300  0.84539233
   0.61429815  0.31751977  0.52537289
   0.85400122  0.50416492  0.85308071
   0.99848580  0.48494483  0.59257731
   0.73759824  0.39057988  0.69673708
   0.80359584  0.06116421  0.98478731
   0.55267091  0.08751209  0.91052262
   0.54272884  0.54764679  0.04070669
   0.88214747  0.70836949  0.27825078
   0.54252694  0.81045166  0.03414401
   0.83613180  0.97473470  0.31498219
   0.90096770  0.89688014  0.14337583
   0.65824402  0.83611346  0.20972741
   0.86772447  0.69262663  0.45781026
   0.60824677  0.60844582  0.39854441
   0.68888339  0.56213591  0.57088535
   0.82727237  0.75769878  0.80700169
   0.61964744  0.84240180  0.47540044
   0.95192525  0.98713223  0.83788684
   1.00569444  0.85653120  0.68830931
   0.75166522  0.95821419  0.70312520
   0.76327625  0.66570092  0.98272829
   0.53387933  0.67690264  0.86431953
   0.75182278  0.77957679  0.60100382
   0.34136945  0.77012948  0.45297463
   0.85819957  0.19202287  0.08006664
   0.93503547  0.37472859  0.38693337
   0.47438521  0.11369053  0.65139893
   0.18061238  0.96608861  0.89292080
   0.17456881  1.10880786  0.21124394
   0.31453733  1.15026006  0.04839573
   0.63589907  0.37081402  0.87111459
   0.75215715  0.59645953  0.61819169
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.647496    0.168611   -0.137020
    -0.000000    9.817926    0.027192
    -0.000000    0.000000   14.033008
   Si   O    H 
    32    64    10
Direct configuration=  3020
   0.20544630  0.21782652 -0.02657431
   0.35534917  0.10001536  0.37541330
   0.16317807  0.44807835  0.12368299
   0.41284367  0.34546340  0.25841577
   0.06609526  0.12645322  0.46932460
   0.44079752  0.13010461  0.83498058
   0.11781919  0.38188890  0.60448885
   0.37382348  0.37990731  0.74244914
   0.16072278  0.69538023  0.01020869
   0.44696221  0.59739998  0.36771777
   0.07370956  0.91330388  0.14594163
   0.33058181  0.84904320  0.26614876
   0.17601099  0.60496658  0.50120303
   0.35844235  0.64136980  0.84628357
   0.10873399  0.88804706  0.60117998
   0.39754147  0.98933011  0.66916239
   0.65075259  0.13357970  1.00573805
   0.82053024  0.13239580  0.33902207
   0.62232367  0.42060036  0.09339237
   0.88115503  0.30154649  0.15153747
   0.60113226  0.16880856  0.48403500
   0.91985811  0.11398121  0.91201161
   0.60930368  0.42065083  0.62082598
   0.76572888  0.37388893  0.81652211
   0.58910899  0.67775102 -0.02889547
   0.94381545  0.60978087  0.36946772
   0.55984053  0.90062419  0.13080485
   0.81717021  0.85431942  0.24285230
   0.70409327  0.70800945  0.47086513
   0.87620166  0.65215852  0.89561477
   0.67195440  0.91407350  0.59464480
   0.88085155  0.89352123  0.75960455
   0.10870768  0.07092050  0.15748828
   0.40444970  0.18371863  0.28289103
   0.17124505  0.38867933  0.01052096
   0.41518483  0.42982538  0.36024576
   0.55036600  0.39380672  0.20012662
   0.28232785  0.41941254  0.20229120
   0.19047985  0.13502833  0.38879282
  -0.06993420  0.18970069  0.41724921
   0.03299245 -0.02965607  0.51230169
   0.48487290  0.24779954  0.75848114
   0.09329357  0.22905791  0.55729535
   0.35811302  0.47322425  0.83656551
   0.45933993  0.46205141  0.65523224
   0.22039406  0.35092281  0.69930577
   0.28645766  0.21135486 -0.13525838
   0.05788126  0.13966045  0.97658407
   0.15177041  0.61592421  0.11298751
   0.40191088  0.69336619  0.27602230
   0.13041099  0.86104387  0.04399029
   0.36369616  0.93586983  0.36401078
   0.41713445  0.93012937  0.18668166
   0.16431157  0.83423098  0.23006503
   0.33863956  0.66960789  0.45884860
   0.10547103  0.62526938  0.39404580
   0.24648653  0.45880405  0.53918344
   0.28371190  0.69302690  0.75556789
   0.14772856  0.73282465  0.56111703
   0.38354478  0.98413557  0.79161338
   0.50375481  0.87567882  0.63079304
   0.24001533  0.97931393  0.63014713
   0.30096415  0.67479603 -0.04221224
   0.03365820  0.64189289  0.93942960
   0.60321304  0.05831063  0.10359692
   0.85232094  0.21620387  0.24498700
   0.60647786  0.29325948  0.01519105
   0.89404459  0.45985915  0.35820148
   0.02223624  0.38458167  0.16562791
   0.79007643  0.44236548  0.11517808
   0.67581485  0.17417229  0.38327921
   0.44136999  0.12410395  0.47385341
   0.69299420  0.06874956  0.55777398
   0.87191168  0.24297739  0.84592435
   0.61394716  0.31730439  0.52604258
   0.85046357  0.50440280  0.85294260
   1.00058825  0.48593555  0.59200719
   0.73830875  0.39109798  0.69801208
   0.80522495  0.05974379  0.98522810
   0.55050998  0.08856525  0.90932053
   0.54382500  0.54906196  0.04118840
   0.88087998  0.70759422  0.27706781
   0.54166959  0.81109847  0.03353572
   0.83560226  0.97551910  0.31481917
   0.90098340  0.89477837  0.14378388
   0.65791994  0.83647893  0.20956575
   0.86890637  0.69318263  0.45821545
   0.60897637  0.60975551  0.39885405
   0.68856818  0.56119018  0.57233123
   0.82834799  0.75699729  0.80779346
   0.61720943  0.84396682  0.47525370
   0.95033562  0.98831080  0.83947520
   1.00419179  0.85850551  0.68742978
   0.75286033  0.95795790  0.70180694
   0.76099651  0.66298350  0.98175789
   0.53387209  0.67531028  0.86548097
   0.75293682  0.76850762  0.60466767
   0.33961978  0.76568175  0.45366139
   0.86656540  0.19539958  0.07798490
   0.93027193  0.38572324  0.38276993
   0.47544809  0.11565380  0.65088317
   0.19240697  0.96850983  0.89700314
   0.17135309  1.11014249  0.21321700
   0.31818057  1.15715592  0.04165655
   0.63845268  0.36315544  0.87746029
   0.75102348  0.59957812  0.62161380
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.645025    0.169794   -0.137782
    -0.000000    9.817297    0.026887
    -0.000000    0.000000   14.035540
   Si   O    H 
    32    64    10
Direct configuration=  3021
   0.20557779  0.21705651 -0.02697519
   0.35479527  0.09981984  0.37462052
   0.16266122  0.44774331  0.12353057
   0.41258754  0.34606508  0.25680057
   0.06490480  0.12625174  0.46916253
   0.44009102  0.13081549  0.83420051
   0.11806561  0.38186695  0.60503692
   0.37360761  0.37984794  0.74237399
   0.16107073  0.69463006  0.01018141
   0.44731512  0.59807195  0.36666316
   0.07349873  0.91204990  0.14604237
   0.33008013  0.84830113  0.26634237
   0.17682935  0.60523365  0.50104782
   0.36016615  0.64084743  0.84676498
   0.10915507  0.88865946  0.60206380
   0.39633570  0.98920258  0.66993469
   0.65120258  0.13260605  1.00542295
   0.82030821  0.13417065  0.33889524
   0.62381171  0.41940394  0.09443676
   0.88219098  0.29948663  0.15207377
   0.60114254  0.16937036  0.48450441
   0.91968243  0.11474433  0.91169858
   0.60792441  0.41949965  0.62095867
   0.76516409  0.37355017  0.81638024
   0.58912592  0.67815904 -0.02927680
   0.94294858  0.61001739  0.36985782
   0.55926897  0.89953971  0.13062913
   0.81840722  0.85523309  0.24302520
   0.70446969  0.70896517  0.47102895
   0.87569775  0.65124103  0.89544409
   0.67157144  0.91502256  0.59479735
   0.88156050  0.89348630  0.75914683
   0.11062801  0.06914818  0.15751804
   0.40587257  0.18111844  0.28139235
   0.17187707  0.38770649  0.01022776
   0.41571390  0.42883723  0.36118041
   0.55080744  0.39393153  0.20113011
   0.28280247  0.41896459  0.20227188
   0.18914092  0.13541694  0.38880621
  -0.06926315  0.19025074  0.41860187
   0.03316670 -0.03010255  0.51319671
   0.48403944  0.24815356  0.75781469
   0.09317751  0.23063754  0.55802806
   0.35753209  0.47316490  0.83676748
   0.46091085  0.46010218  0.65535975
   0.22163789  0.34912753  0.69924942
   0.28578086  0.21220964 -0.13497015
   0.05890589  0.13768821  0.97799261
   0.15090975  0.61448503  0.11298060
   0.40202962  0.69330315  0.27465979
   0.12859984  0.86040145  0.04386152
   0.36466282  0.93669595  0.36361730
   0.41662243  0.93056672  0.18743865
   0.16684647  0.83666389  0.22907649
   0.33880320  0.66726040  0.45773788
   0.10693912  0.62461441  0.39388928
   0.24699981  0.45891546  0.53973682
   0.28363021  0.69324914  0.75456972
   0.14818407  0.73378048  0.56103225
   0.38217201  0.98600766  0.79016931
   0.50372667  0.87449570  0.63178376
   0.23935393  0.97749756  0.63001942
   0.30215931  0.67326409 -0.04275489
   0.03468845  0.64249806  0.93894111
   0.60279695  0.05891465  0.10325961
   0.84963064  0.21643855  0.24547352
   0.60879466  0.29339789  0.01609272
   0.89401083  0.46166748  0.35642693
   0.02113404  0.38488098  0.16582392
   0.78979292  0.44360751  0.11390622
   0.67488604  0.17420354  0.38417284
   0.44134493  0.12213753  0.47334867
   0.69300931  0.06915275  0.55676241
   0.87221037  0.24403081  0.84656910
   0.61425199  0.31786467  0.52696349
   0.84706805  0.50469855  0.85285072
   1.00196600  0.48740381  0.59110367
   0.73869500  0.39175825  0.69940009
   0.80615101  0.05900768  0.98567400
   0.54978983  0.09001902  0.90904922
   0.54473888  0.55004610  0.04141583
   0.87958102  0.70651548  0.27640832
   0.54136929  0.81251357  0.03341058
   0.83408794  0.97696145  0.31441389
   0.90173865  0.89148455  0.14478071
   0.65776224  0.83590810  0.20979963
   0.86946905  0.69269392  0.45815390
   0.61028584  0.61075523  0.39890768
   0.68803672  0.56065683  0.57375110
   0.82968189  0.75594165  0.80889188
   0.61526857  0.84604055  0.47510525
   0.94974580  0.98965079  0.84144708
   1.00232964  0.85985330  0.68644629
   0.75287050  0.95759530  0.70091956
   0.75924711  0.66062555  0.98040179
   0.53297189  0.67457316  0.86558067
   0.75225940  0.76330484  0.60793193
   0.33621700  0.76829817  0.45517635
   0.87168019  0.19876224  0.07632352
   0.93838530  0.37014539  0.38670269
   0.47654904  0.11588289  0.64997065
   0.20142043  0.96763836  0.89860293
   0.16262848  1.10690237  0.20737315
   0.31604109  1.16281480  0.03327611
   0.64366186  0.35539015  0.87990083
   0.74521835  0.60683709  0.61978907
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.642329    0.170873   -0.138610
    -0.000000    9.816712    0.026260
    -0.000000    0.000000   14.038024
   Si   O    H 
    32    64    10
Direct configuration=  3022
   0.20592482  0.21668944 -0.02765017
   0.35364211  0.10010732  0.37396965
   0.16173614  0.44768293  0.12311778
   0.41235297  0.34677813  0.25499897
   0.06434787  0.12540775  0.46962268
   0.43894784  0.13076214  0.83368528
   0.11928158  0.38092664  0.60571969
   0.37364274  0.38039268  0.74167189
   0.16094529  0.69383388  0.01018429
   0.44680361  0.59928091  0.36593406
   0.07346729  0.91088142  0.14612191
   0.32916881  0.84693105  0.26655019
   0.17693658  0.60532415  0.50034104
   0.36187593  0.63999345  0.84733936
   0.10986936  0.88861267  0.60263524
   0.39479175  0.98936171  0.67059426
   0.65176477  0.13217082  1.00528595
   0.82041769  0.13577350  0.33906507
   0.62531356  0.41819641  0.09540399
   0.88308419  0.29782678  0.15233728
   0.60133902  0.17018295  0.48525167
   0.91940921  0.11558909  0.91172185
   0.60735742  0.41819677  0.62112768
   0.76474645  0.37305031  0.81619461
   0.58970840  0.67908835 -0.02901781
   0.94255699  0.61087337  0.36996719
   0.55726157  0.89840423  0.13046559
   0.81948773  0.85623729  0.24304844
   0.70471279  0.70927190  0.47123462
   0.87576184  0.65026937  0.89533808
   0.67152976  0.91503832  0.59472011
   0.88195080  0.89336514  0.75855790
   0.11186091  0.06743715  0.15694485
   0.40814632  0.17921180  0.27959996
   0.17315980  0.38608361  0.01019090
   0.41592511  0.42891978  0.36193342
   0.55087376  0.39390703  0.20148058
   0.28261539  0.41777219  0.20204267
   0.18792261  0.13559948  0.38883314
  -0.06898286  0.19037099  0.41928546
   0.03385036 -0.03056378  0.51424910
   0.48373786  0.24864737  0.75740832
   0.09286572  0.23181361  0.55867719
   0.35714157  0.47272965  0.83702915
   0.46201881  0.45853577  0.65525822
   0.22198918  0.34734460  0.69925875
   0.28491791  0.21303976 -0.13445332
   0.05988385  0.13645396  0.97982854
   0.15009095  0.61271354  0.11246431
   0.40227806  0.69360940  0.27374588
   0.12686914  0.85961074  0.04367850
   0.36629811  0.93683810  0.36298470
   0.41632677  0.93049808  0.18752256
   0.16883278  0.83889667  0.22823086
   0.34016446  0.66542496  0.45655332
   0.10724483  0.62327810  0.39389409
   0.24693159  0.45930858  0.54050381
   0.28425000  0.69336160  0.75399049
   0.14896663  0.73509086  0.56125433
   0.38123487  0.98800481  0.78913230
   0.50409673  0.87282212  0.63208610
   0.23874988  0.97613378  0.62993182
   0.30273993  0.67226798 -0.04333527
   0.03485622  0.64375696  0.93804615
   0.60300397  0.06006807  0.10286551
   0.84683058  0.21658211  0.24498897
   0.61098311  0.29345736  0.01682186
   0.89399375  0.46150804  0.35524047
   0.02051059  0.38542607  0.16592714
   0.78913333  0.44434184  0.11293873
   0.67390128  0.17466355  0.38470976
   0.44200025  0.12045410  0.47287614
   0.69270488  0.06930438  0.55615049
   0.87234721  0.24559462  0.84681708
   0.61417547  0.31888090  0.52789985
   0.84466702  0.50456445  0.85244451
   1.00281580  0.48839079  0.58987534
   0.73928501  0.39190277  0.70134330
   0.80639427  0.05930518  0.98550460
   0.55067231  0.09112383  0.90992284
   0.54621335  0.55025444  0.04155843
   0.87891956  0.70599773  0.27624669
   0.54129779  0.81396233  0.03344867
   0.83222068  0.97817306  0.31439011
   0.90209746  0.88859539  0.14593046
   0.65792832  0.83470658  0.21041529
   0.87062920  0.69309640  0.45831753
   0.61160135  0.61160841  0.39859397
   0.68717208  0.55980408  0.57479110
   0.83092266  0.75520283  0.81003959
   0.61434604  0.84782646  0.47484656
   0.94930597  0.99000250  0.84365967
   1.00128613  0.86104753  0.68544442
   0.75163323  0.95750607  0.70031630
   0.75793721  0.65847529  0.97890956
   0.53224151  0.67315170  0.86535681
   0.74924531  0.76735541  0.60877454
   0.33215173  0.77127507  0.45701763
   0.87633871  0.20315967  0.07525904
   0.94070080  0.36738832  0.38511143
   0.47303432  0.11090288  0.64895627
   0.20775082  0.96370855  0.89979782
   0.15972673  1.10393737  0.20693432
   0.31384357  1.16429773  0.02689120
   0.64723090  0.35133220  0.87973431
   0.74313613  0.61312801  0.61901644
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.639718    0.171681   -0.139236
    -0.000000    9.816015    0.026026
    -0.000000    0.000000   14.040890
   Si   O    H 
    32    64    10
Direct configuration=  3023
   0.20677500  0.21714667 -0.02818373
   0.35254102  0.10020791  0.37344070
   0.16089897  0.44766926  0.12243472
   0.41182036  0.34723791  0.25321073
   0.06389022  0.12517175  0.47043273
   0.43706179  0.13165176  0.83325683
   0.12034296  0.37973092  0.60649100
   0.37432866  0.38077818  0.74137027
   0.16004732  0.69310273  0.01067211
   0.44709394  0.59989793  0.36545333
   0.07347287  0.90941312  0.14614098
   0.32789293  0.84534820  0.26609362
   0.17769681  0.60548367  0.50020491
   0.36325345  0.63958377  0.84763256
   0.11047473  0.88867016  0.60315691
   0.39343141  0.98950430  0.67131898
   0.65268180  0.13208158  1.00501741
   0.82042540  0.13742100  0.33970247
   0.62616316  0.41724004  0.09633873
   0.88436703  0.29688246  0.15208759
   0.60124465  0.17114430  0.48598513
   0.91964662  0.11651228  0.91205219
   0.60715565  0.41690407  0.62082805
   0.76381196  0.37174589  0.81609826
   0.59014183  0.67976560 -0.02846558
   0.94153365  0.61247909  0.37013609
   0.55563978  0.89758019  0.13052903
   0.82066446  0.85638587  0.24300709
   0.70420209  0.70872799  0.47116564
   0.87552368  0.64932048  0.89514424
   0.67103883  0.91492490  0.59465579
   0.88225136  0.89337130  0.75775674
   0.11165995  0.06598363  0.15597551
   0.40930383  0.17647126  0.27779908
   0.17472742  0.38476579  0.01019625
   0.41671685  0.42936305  0.36178845
   0.55140028  0.39317738  0.20145904
   0.28214942  0.41629849  0.20115292
   0.18657052  0.13610741  0.38886151
  -0.06915386  0.19058812  0.41971200
   0.03385774 -0.03045338  0.51563098
   0.48387972  0.24968813  0.75684790
   0.09333277  0.23221821  0.55928267
   0.35736452  0.47239312  0.83721941
   0.46253892  0.45740036  0.65489560
   0.22165749  0.34532975  0.69918803
   0.28354760  0.21392373 -0.13384054
   0.06063726  0.13576450  0.98144159
   0.15060547  0.61068518  0.11197377
   0.40221378  0.69489758  0.27309532
   0.12615789  0.85780471  0.04294458
   0.36676489  0.93714202  0.36217105
   0.41621584  0.93054525  0.18752167
   0.17037890  0.84127881  0.22779319
   0.34209723  0.66364217  0.45448714
   0.10701212  0.62135001  0.39354039
   0.24710209  0.45912828  0.54058689
   0.28466276  0.69279583  0.75328628
   0.14860364  0.73735917  0.56171402
   0.38071886  0.99015986  0.78822173
   0.50411251  0.87201703  0.63207781
   0.23792365  0.97516179  0.62933093
   0.30353144  0.67104720 -0.04353405
   0.03542557  0.64582844  0.93719665
   0.60265761  0.06116322  0.10285149
   0.84433720  0.21712263  0.24461234
   0.61363352  0.29319401  0.01744765
   0.89473553  0.46058279  0.35395502
   0.02074004  0.38518515  0.16631713
   0.78848817  0.44394678  0.11177659
   0.67276902  0.17448103  0.38426476
   0.44175659  0.11924268  0.47274573
   0.69121036  0.06996553  0.55515122
   0.87244100  0.24686751  0.84720988
   0.61377681  0.31945275  0.52847224
   0.84172852  0.50404622  0.85264838
   1.00378967  0.48950343  0.58857477
   0.73973465  0.39095698  0.70341886
   0.80650641  0.05955096  0.98564868
   0.55244646  0.09191387  0.91083092
   0.54731044  0.55055102  0.04193039
   0.87879103  0.70519223  0.27639522
   0.54016999  0.81426745  0.03332978
   0.83116874  0.97970126  0.31446285
   0.90230568  0.88562396  0.14694640
   0.65789048  0.83355866  0.21085863
   0.87157147  0.69335423  0.45812932
   0.61285234  0.61251569  0.39823763
   0.68694364  0.55921358  0.57560850
   0.83205934  0.75539025  0.81145251
   0.61298152  0.85006175  0.47407400
   0.94936799  0.99004513  0.84510534
   1.00079926  0.86099896  0.68476330
   0.75049794  0.95833330  0.70030743
   0.75703844  0.65703470  0.97781838
   0.53129236  0.67217954  0.86469624
   0.74331149  0.77992480  0.60637942
   0.33281680  0.76589185  0.45761059
   0.88101117  0.20374309  0.07443236
   0.93864373  0.37496931  0.37998371
   0.47134355  0.10709821  0.64741548
   0.21473096  0.95786902  0.90063604
   0.17047318  1.10470974  0.21446805
   0.31248336  1.16375124  0.02742667
   0.64964162  0.35103465  0.87750383
   0.73919463  0.61665377  0.61802568
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.637354    0.172947   -0.140248
    -0.000000    9.815317    0.025688
    -0.000000    0.000000   14.043703
   Si   O    H 
    32    64    10
Direct configuration=  3024
   0.20769192  0.21752558 -0.02896106
   0.35180476  0.10006961  0.37329457
   0.15983125  0.44804267  0.12188497
   0.41173733  0.34780016  0.25172246
   0.06326180  0.12449027  0.47180205
   0.43567675  0.13304079  0.83271853
   0.12186602  0.37817911  0.60698106
   0.37502220  0.38180404  0.74087363
   0.15911318  0.69264133  0.01117355
   0.44770737  0.60086815  0.36512902
   0.07317187  0.90819201  0.14600645
   0.32712267  0.84389135  0.26548109
   0.17802145  0.60529696  0.50015743
   0.36460923  0.63976303  0.84768141
   0.11105702  0.88793805  0.60349286
   0.39266423  0.98894504  0.67202093
   0.65350088  0.13180260  1.00462557
   0.82058047  0.13924186  0.34036751
   0.62558428  0.41673637  0.09691128
   0.88527812  0.29657886  0.15160986
   0.60087552  0.17182328  0.48680200
   0.91988988  0.11734511  0.91289342
   0.60780103  0.41547091  0.62071239
   0.76323718  0.37060751  0.81615918
   0.59054360  0.67983291 -0.02713649
   0.94021027  0.61388240  0.37023523
   0.55439746  0.89724110  0.13059843
   0.82174363  0.85606342  0.24301680
   0.70326858  0.70759765  0.47102772
   0.87497408  0.64813197  0.89519627
   0.66987512  0.91442673  0.59471479
   0.88179924  0.89352479  0.75675425
   0.11254481  0.06471960  0.15517274
   0.41098213  0.17447537  0.27531917
   0.17603335  0.38257367  0.01011560
   0.41765576  0.43015502  0.36149100
   0.55238634  0.39231676  0.20041854
   0.28235014  0.41605725  0.20022288
   0.18617573  0.13577669  0.38913282
  -0.06930680  0.19066647  0.42015285
   0.03446664 -0.03030254  0.51685886
   0.48340322  0.25137358  0.75680436
   0.09307418  0.23188566  0.56007898
   0.35782231  0.47163465  0.83780981
   0.46219634  0.45604212  0.65513783
   0.22190248  0.34385328  0.69919663
   0.28206885  0.21468610 -0.13316260
   0.06087422  0.13525330  0.98272645
   0.15119779  0.60856388  0.11220234
   0.40221331  0.69619996  0.27304900
   0.12505584  0.85578584  0.04172743
   0.36730997  0.93679211  0.36066202
   0.41628744  0.93066604  0.18738492
   0.17198703  0.84302883  0.22785095
   0.34347533  0.66255682  0.45250326
   0.10611473  0.62045092  0.39341974
   0.24711517  0.45979548  0.54051263
   0.28505216  0.69201595  0.75304962
   0.14804240  0.73937493  0.56125605
   0.37994860  0.99197707  0.78723239
   0.50503188  0.87182193  0.63175252
   0.23712844  0.97454485  0.62841128
   0.30354932  0.66973255 -0.04418248
   0.03582586  0.64734253  0.93616828
   0.60266901  0.06192919  0.10351720
   0.84235850  0.21802764  0.24399029
   0.61547895  0.29279337  0.01827422
   0.89478572  0.45965743  0.35281978
   0.01998246  0.38569889  0.16659979
   0.78777879  0.44358490  0.11143347
   0.67217194  0.17534179  0.38406626
   0.44229998  0.11904262  0.47285905
   0.69008593  0.07063618  0.55460337
   0.87240533  0.24822081  0.84712765
   0.61388184  0.32033802  0.52941721
   0.83974238  0.50401163  0.85224361
   1.00491596  0.49121083  0.58725272
   0.73983118  0.39052464  0.70454856
   0.80653017  0.05995934  0.98561229
   0.55389746  0.09231919  0.91177633
   0.54842211  0.55063120  0.04270282
   0.87886750  0.70529036  0.27647499
   0.53838763  0.81539677  0.03265537
   0.83039420  0.98073491  0.31460631
   0.90325169  0.88268800  0.14690864
   0.65769577  0.83203681  0.21116613
   0.87317510  0.69296213  0.45801356
   0.61315740  0.61373909  0.39768575
   0.68637617  0.55888532  0.57620271
   0.83308212  0.75534583  0.81314656
   0.61176112  0.85231111  0.47393413
   0.94876761  0.98915688  0.84605495
   1.00079697  0.86053397  0.68416047
   0.74812434  0.95905548  0.70048895
   0.75629933  0.65739792  0.97725013
   0.53026747  0.67127761  0.86398134
   0.73817407  0.78725490  0.60321435
   0.33693282  0.75871344  0.45803800
   0.88290179  0.20075535  0.07233827
   0.93496748  0.38461117  0.37531006
   0.46859822  0.10721250  0.64534479
   0.22246863  0.95308173  0.90000619
   0.17468553  1.09813813  0.21525404
   0.31879184  1.15900200  0.03149822
   0.64922196  0.35457059  0.87386669
   0.74021668  0.61866983  0.61994776
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.634869    0.174011   -0.140731
    -0.000000    9.814537    0.025475
    -0.000000    0.000000   14.046476
   Si   O    H 
    32    64    10
Direct configuration=  3025
   0.20839099  0.21810890 -0.02967368
   0.35121702  0.09965596  0.37314342
   0.15856362  0.44846314  0.12169765
   0.41223215  0.34740047  0.25050033
   0.06296738  0.12430565  0.47345209
   0.43420163  0.13401790  0.83211771
   0.12378749  0.37700887  0.60715739
   0.37607173  0.38320134  0.74026776
   0.15820554  0.69251056  0.01136226
   0.44885447  0.60162938  0.36476639
   0.07325652  0.90732947  0.14582670
   0.32655620  0.84288662  0.26506051
   0.17858607  0.60533237  0.50061237
   0.36565720  0.63994561  0.84730793
   0.11081174  0.88686232  0.60352197
   0.39199219  0.98751240  0.67264257
   0.65462522  0.13155706  1.00419310
   0.82120458  0.14066046  0.34164237
   0.62504226  0.41645429  0.09703811
   0.88570330  0.29588879  0.15085499
   0.60099839  0.17138491  0.48738774
   0.92035847  0.11698323  0.91370551
   0.60940598  0.41479250  0.62063667
   0.76284103  0.36934743  0.81645515
   0.59150789  0.68013597 -0.02599413
   0.93880151  0.61551782  0.37008001
   0.55376686  0.89700142  0.13075258
   0.82220565  0.85556662  0.24281856
   0.70258643  0.70582488  0.47088682
   0.87462541  0.64727836  0.89540687
   0.66855595  0.91487165  0.59441336
   0.88131708  0.89395969  0.75639456
   0.11383464  0.06389025  0.15506003
   0.41245336  0.17387208  0.27350651
   0.17691941  0.38019324  0.01046423
   0.41771979  0.43102782  0.36086911
   0.55314563  0.39223648  0.19934275
   0.28156876  0.41631579  0.19909419
   0.18605995  0.13587769  0.39007975
  -0.06944612  0.19027039  0.42046773
   0.03452032 -0.02966676  0.51725779
   0.48252199  0.25225573  0.75730800
   0.09243444  0.23122337  0.56048362
   0.35726689  0.47081843  0.83811546
   0.46153138  0.45587230  0.65539141
   0.22235420  0.34244215  0.69998721
   0.28045171  0.21528812 -0.13233373
   0.06147582  0.13556606  0.98337789
   0.15222685  0.60660892  0.11219428
   0.40175464  0.69624510  0.27304752
   0.12447364  0.85372323  0.04045043
   0.36809659  0.93630499  0.35894675
   0.41524298  0.93103307  0.18707913
   0.17404466  0.84449577  0.22819758
   0.34442364  0.66063349  0.45025449
   0.10551955  0.61952766  0.39349219
   0.24744977  0.46091142  0.54033791
   0.28585505  0.69038269  0.75287072
   0.14776814  0.74085745  0.56143968
   0.38021421  0.99403288  0.78590883
   0.50578127  0.87226910  0.63165939
   0.23685505  0.97518428  0.62771291
   0.30264347  0.66894842 -0.04469981
   0.03561959  0.64905091  0.93476606
   0.60318419  0.06173819  0.10355114
   0.83955299  0.21844925  0.24350288
   0.61741819  0.29230744  0.01915821
   0.89478826  0.45992640  0.35139662
   0.01961341  0.38649059  0.16722104
   0.78769146  0.44293416  0.11124536
   0.67120172  0.17611060  0.38377639
   0.44318701  0.11911217  0.47305166
   0.68848945  0.07202346  0.55433422
   0.87297268  0.24937265  0.84676243
   0.61429281  0.32167776  0.53099414
   0.83858769  0.50408236  0.85131542
   1.00583571  0.49220653  0.58584855
   0.73988697  0.38909656  0.70542676
   0.80550939  0.06037491  0.98567027
   0.55526432  0.09288349  0.91299258
   0.54959783  0.55071422  0.04399191
   0.87883275  0.70647550  0.27705872
   0.53673301  0.81642079  0.03161313
   0.82918670  0.98163086  0.31489614
   0.90525247  0.88028094  0.14678472
   0.65805317  0.83121822  0.21135388
   0.87404094  0.69282127  0.45824983
   0.61347136  0.61383608  0.39711132
   0.68574499  0.55965753  0.57693031
   0.83471532  0.75549094  0.81441179
   0.61090755  0.85353484  0.47311411
   0.94835482  0.98836514  0.84642909
   1.00076646  0.86005580  0.68332587
   0.74637746  0.96034178  0.70098753
   0.75737938  0.65744030  0.97632776
   0.53043838  0.67123561  0.86306287
   0.73887717  0.78503521  0.59940032
   0.34109954  0.75846934  0.45758288
   0.88669266  0.20324685  0.07009443
   0.94545041  0.36879975  0.37888349
   0.46696526  0.11085717  0.64489870
   0.22755553  0.94694397  0.90150029
   0.16955501  1.08781157  0.20790473
   0.32248100  1.15228814  0.03641786
   0.64042895  0.35668578  0.87178573
   0.73687971  0.61738035  0.62130470
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.632389    0.174671   -0.141294
    -0.000000    9.814584    0.025468
    -0.000000    0.000000   14.049210
   Si   O    H 
    32    64    10
Direct configuration=  3026
   0.20991063  0.21860749 -0.03003427
   0.35080105  0.09901658  0.37282831
   0.15723458  0.44764180  0.12153090
   0.41261845  0.34724427  0.24994052
   0.06289952  0.12304566  0.47499811
   0.43223150  0.13506407  0.83132613
   0.12564841  0.37614137  0.60693846
   0.37656768  0.38440396  0.73971393
   0.15699087  0.69274922  0.01153784
   0.45030200  0.60258976  0.36438915
   0.07341668  0.90627692  0.14531753
   0.32697758  0.84168655  0.26510450
   0.17858366  0.60555227  0.50145839
   0.36623561  0.63971671  0.84686919
   0.11038422  0.88538671  0.60310389
   0.39194997  0.98571313  0.67318653
   0.65515360  0.13118997  1.00399665
   0.82189876  0.14216279  0.34271230
   0.62387973  0.41606057  0.09702491
   0.88616555  0.29532858  0.15012343
   0.60048862  0.17074508  0.48791122
   0.92170599  0.11701144  0.91428936
   0.61151501  0.41434716  0.62079123
   0.76285582  0.36836466  0.81675745
   0.59269307  0.68011768 -0.02496581
   0.93720013  0.61727935  0.36997380
   0.55291267  0.89675978  0.13061696
   0.82243201  0.85477719  0.24293800
   0.70202546  0.70462164  0.47085615
   0.87372584  0.64710303  0.89610688
   0.66716384  0.91479693  0.59441850
   0.88063012  0.89448766  0.75599429
   0.11479022  0.06332237  0.15498560
   0.41349606  0.17427279  0.27222619
   0.17749472  0.37737924  0.01123609
   0.41690864  0.43166795  0.36003884
   0.55431926  0.39260616  0.19816304
   0.28083219  0.41636539  0.19767449
   0.18532195  0.13560419  0.39040449
  -0.06886675  0.19019060  0.42074372
   0.03485914 -0.02861809  0.51767247
   0.48190165  0.25321263  0.75795147
   0.09268145  0.22928954  0.56066267
   0.35703573  0.46976898  0.83844895
   0.46133997  0.45631958  0.65550022
   0.22309278  0.34070550  0.70076699
   0.27983251  0.21589079 -0.13106093
   0.06171079  0.13609447  0.98342451
   0.15305085  0.60478727  0.11242700
   0.40117826  0.69525729  0.27364537
   0.12476658  0.85111353  0.03917941
   0.36896030  0.93516182  0.35722610
   0.41422333  0.93054047  0.18662128
   0.17573486  0.84562100  0.22902046
   0.34506882  0.65982359  0.44768055
   0.10501320  0.61851153  0.39325718
   0.24717653  0.46218004  0.53939262
   0.28659140  0.68998385  0.75300506
   0.14790139  0.74213486  0.56178343
   0.38137479  0.99568401  0.78478538
   0.50576232  0.87251807  0.63176455
   0.23702293  0.97681105  0.62689407
   0.30193326  0.66846027 -0.04505607
   0.03456083  0.64990475  0.93318839
   0.60315808  0.06086194  0.10381545
   0.83645796  0.21915223  0.24328311
   0.61895697  0.29215893  0.02039890
   0.89602212  0.46032791  0.35002833
   0.02012513  0.38649205  0.16819053
   0.78764171  0.44188458  0.11093646
   0.67054442  0.17662049  0.38418383
   0.44476971  0.11910351  0.47366533
   0.68712855  0.07368572  0.55423991
   0.87353712  0.24984540  0.84687666
   0.61458042  0.32223067  0.53266559
   0.83662652  0.50455267  0.85039243
   1.00720459  0.49352167  0.58477867
   0.73945893  0.38735235  0.70604420
   0.80420494  0.06096901  0.98583366
   0.55625540  0.09407685  0.91385210
   0.55081695  0.55066482  0.04451329
   0.87900723  0.70795426  0.27789345
   0.53488070  0.81732990  0.03094907
   0.82883622  0.98120818  0.31534293
   0.90804130  0.87818291  0.14667323
   0.65801795  0.83051628  0.21122359
   0.87316320  0.69330540  0.45891467
   0.61376903  0.61441486  0.39614664
   0.68499844  0.56115754  0.57732623
   0.83647225  0.75535848  0.81591355
   0.61107243  0.85449863  0.47233875
   0.94738904  0.98739056  0.84691770
   1.00086089  0.85870904  0.68262166
   0.74534223  0.96154648  0.70232311
   0.75790538  0.65774678  0.97509756
   0.53067499  0.67046441  0.86250360
   0.74593138  0.77782546  0.59466398
   0.34623754  0.76336888  0.45646911
   0.89173276  0.20925335  0.06905739
   0.94598020  0.36866707  0.37872010
   0.46527933  0.11102464  0.64378270
   0.23110942  0.94141476  0.90198268
   0.16782766  1.08280603  0.20708853
   0.32250540  1.14950863  0.03831078
   0.62868878  0.35549645  0.86922554
   0.73286968  0.62032067  0.62064681
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.630297    0.176567   -0.141570
    -0.000000    9.815091    0.025114
    -0.000000    0.000000   14.051879
   Si   O    H 
    32    64    10
Direct configuration=  3027
   0.21071499  0.21890992 -0.03008894
   0.35045691  0.09848991  0.37268991
   0.15605627  0.44652577  0.12123735
   0.41303780  0.34779236  0.24966941
   0.06295688  0.12148439  0.47644172
   0.43068425  0.13593118  0.83102228
   0.12731540  0.37582115  0.60642700
   0.37676593  0.38536069  0.73922821
   0.15599109  0.69288865  0.01105483
   0.45216660  0.60298945  0.36381192
   0.07317315  0.90551753  0.14453449
   0.32793746  0.84081223  0.26518065
   0.17861697  0.60597265  0.50250708
   0.36658628  0.63904122  0.84627644
   0.10949836  0.88347192  0.60253897
   0.39195267  0.98379203  0.67341107
   0.65553171  0.13044918  1.00423085
   0.82247903  0.14322333  0.34409668
   0.62304299  0.41628150  0.09670628
   0.88691495  0.29580864  0.14924018
   0.59979450  0.17099349  0.48829628
   0.92367396  0.11711315  0.91447448
   0.61367725  0.41408229  0.62135102
   0.76284456  0.36772223  0.81694827
   0.59329446  0.67957063 -0.02419692
   0.93551231  0.61926093  0.36996680
   0.55254094  0.89667437  0.13067359
   0.82213114  0.85362278  0.24323422
   0.70126306  0.70365812  0.47144473
   0.87277387  0.64689769  0.89689045
   0.66605461  0.91444480  0.59484946
   0.88017686  0.89566581  0.75529368
   0.11453254  0.06312744  0.15466923
   0.41434880  0.17554952  0.27105883
   0.17770560  0.37568082  0.01248083
   0.41696724  0.43202652  0.35867772
   0.55542086  0.39343105  0.19702167
   0.27988590  0.41533795  0.19576780
   0.18414440  0.13522918  0.39111874
  -0.06710736  0.19003684  0.42124761
   0.03530622 -0.02702938  0.51713844
   0.48047304  0.25389205  0.75839192
   0.09238238  0.22764786  0.56061079
   0.35756177  0.46936018  0.83875558
   0.46142327  0.45636968  0.65528704
   0.22331423  0.33927678  0.70151547
   0.28055683  0.21587435 -0.13063097
   0.06149504  0.13655784  0.98285760
   0.15443188  0.60337245  0.11162042
   0.40078259  0.69375950  0.27444412
   0.12551958  0.84886139  0.03856221
   0.36896515  0.93435747  0.35583049
   0.41294059  0.93014066  0.18611021
   0.17629539  0.84709935  0.23001131
   0.34596878  0.65966946  0.44572430
   0.10419663  0.61809678  0.39326434
   0.24587768  0.46359988  0.53902260
   0.28720338  0.68898198  0.75311027
   0.14837228  0.74277014  0.56211372
   0.38248469  0.99719425  0.78382501
   0.50519012  0.87251829  0.63151124
   0.23736015  0.97784830  0.62607686
   0.30135101  0.66829816 -0.04528263
   0.03395541  0.65030198  0.93175720
   0.60355820  0.05979314  0.10441068
   0.83358591  0.21950363  0.24368987
   0.62040228  0.29269772  0.02143035
   0.89661386  0.46031450  0.34866909
   0.02158631  0.38650996  0.16873709
   0.78857572  0.44011636  0.11065175
   0.66991341  0.17798614  0.38447916
   0.44566459  0.11929841  0.47407480
   0.68640646  0.07515401  0.55452149
   0.87473947  0.24921803  0.84718047
   0.61469724  0.32299857  0.53374395
   0.83515130  0.50519941  0.84994799
   1.00851815  0.49528898  0.58379591
   0.73837987  0.38546850  0.70572870
   0.80315616  0.06172189  0.98593393
   0.55641380  0.09565278  0.91389294
   0.55276530  0.55088877  0.04483836
   0.87931361  0.70863466  0.27927529
   0.53310836  0.81786178  0.03036381
   0.82876384  0.98002711  0.31593060
   0.91033871  0.87667923  0.14725610
   0.65853367  0.82954179  0.21118232
   0.87127331  0.69346622  0.46020056
   0.61368714  0.61418241  0.39480431
   0.68413829  0.56330426  0.57674576
   0.83859076  0.75635835  0.81656306
   0.61198472  0.85385653  0.47175440
   0.94599305  0.98677426  0.84752970
   1.00097327  0.85827325  0.68218460
   0.74529898  0.96291594  0.70361284
   0.75769941  0.65871952  0.97434425
   0.53064604  0.67009059  0.86248143
   0.75039727  0.77259794  0.59108064
   0.35234221  0.76272697  0.45244444
   0.89572567  0.21266970  0.06888784
   0.94372113  0.38138093  0.37853243
   0.46341448  0.11138369  0.64128510
   0.23552600  0.93681004  0.90365763
   0.17320799  1.08016862  0.21529655
   0.31744972  1.14831470  0.03691109
   0.62071761  0.35627533  0.86972509
   0.72965058  0.62864583  0.62008549
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.628683    0.179086   -0.141282
    -0.000000    9.815249    0.025195
    -0.000000    0.000000   14.054456
   Si   O    H 
    32    64    10
Direct configuration=  3028
   0.21152166  0.21960920 -0.02952406
   0.35005885  0.09779448  0.37246431
   0.15508155  0.44528841  0.12075545
   0.41336660  0.34849288  0.24979252
   0.06362959  0.11987728  0.47786056
   0.42887443  0.13674826  0.83087120
   0.12857146  0.37561439  0.60586775
   0.37624989  0.38548677  0.73859734
   0.15525171  0.69239175  0.01060184
   0.45322058  0.60331098  0.36327155
   0.07334481  0.90515434  0.14405481
   0.32898224  0.84053675  0.26501522
   0.17760738  0.60664998  0.50360178
   0.36601200  0.63858512  0.84519489
   0.10818532  0.88195992  0.60237624
   0.39201869  0.98168681  0.67284204
   0.65549612  0.13006096  1.00439985
   0.82272747  0.14436240  0.34481046
   0.62284346  0.41673467  0.09607596
   0.88678420  0.29670130  0.14838778
   0.59922663  0.17161709  0.48846980
   0.92565389  0.11797312  0.91466136
   0.61605957  0.41379482  0.62201747
   0.76271200  0.36703408  0.81748286
   0.59408489  0.67885655 -0.02386172
   0.93468626  0.62064622  0.36947687
   0.55241307  0.89696792  0.13097548
   0.82145065  0.85313132  0.24257239
   0.69998534  0.70301366  0.47205917
   0.87165395  0.64627072  0.89804602
   0.66566849  0.91416042  0.59487960
   0.87973842  0.89721954  0.75514592
   0.11436284  0.06369623  0.15464248
   0.41390806  0.17723494  0.27009257
   0.17789334  0.37380996  0.01368861
   0.41635302  0.43228191  0.35696339
   0.55596875  0.39353564  0.19539853
   0.27904339  0.41421112  0.19480103
   0.18410159  0.13538225  0.39200774
  -0.06487394  0.19014794  0.42223167
   0.03541063 -0.02593281  0.51626055
   0.47963596  0.25379939  0.75863370
   0.09175898  0.22520254  0.56066052
   0.35823732  0.46933452  0.83889929
   0.46262652  0.45735656  0.65506058
   0.22288792  0.33737700  0.70230105
   0.28209581  0.21591553 -0.13071544
   0.06101214  0.13799011  0.98205008
   0.15484212  0.60328642  0.11111573
   0.40017358  0.69162579  0.27469432
   0.12614795  0.84670896  0.03821276
   0.36915252  0.93365685  0.35447990
   0.41186007  0.92978713  0.18542405
   0.17524221  0.84791631  0.23185134
   0.34694415  0.65943146  0.44439252
   0.10424923  0.61809408  0.39342971
   0.24406957  0.46365693  0.53874796
   0.28729693  0.68860764  0.75265913
   0.14909453  0.74311085  0.56242963
   0.38338559  0.99808525  0.78330677
   0.50477842  0.87319273  0.63156757
   0.23839101  0.97985345  0.62508102
   0.30112124  0.66865852 -0.04588367
   0.03394862  0.64983698  0.93065637
   0.60416410  0.05900104  0.10516893
   0.83153882  0.21972261  0.24348369
   0.62124980  0.29363229  0.02211674
   0.89533448  0.46080822  0.34732211
   0.02314392  0.38684668  0.16857868
   0.78923739  0.43707860  0.11069257
   0.66969582  0.17876027  0.38475368
   0.44583770  0.11975553  0.47439940
   0.68559464  0.07600634  0.55431911
   0.87713837  0.24831628  0.84706510
   0.61525437  0.32380802  0.53390489
   0.83405890  0.50555154  0.84942417
   1.01004818  0.49703331  0.58299807
   0.73662153  0.38438593  0.70512496
   0.80253579  0.06213009  0.98616722
   0.55625455  0.09724970  0.91339630
   0.55433209  0.55125901  0.04537366
   0.88075764  0.70898717  0.28103359
   0.53062596  0.81806471  0.02955430
   0.82847013  0.97981157  0.31671960
   0.91209604  0.87582406  0.14841411
   0.65884919  0.82877251  0.21102145
   0.86948413  0.69411634  0.46170788
   0.61407124  0.61329280  0.39359409
   0.68298664  0.56565450  0.57611275
   0.84095048  0.75640373  0.81680293
   0.61277116  0.85293035  0.47101886
   0.94479475  0.98677774  0.84798909
   1.00067420  0.85763194  0.68130296
   0.74565707  0.96472364  0.70496867
   0.75765231  0.65987531  0.97389414
   0.53110113  0.66951133  0.86352773
   0.75372305  0.77247606  0.58904538
   0.35533834  0.75537857  0.44938676
   0.89935898  0.21296702  0.06806122
   0.94300494  0.39406572  0.37954826
   0.45901311  0.11591739  0.64162714
   0.23789304  0.93105438  0.90783485
   0.17027774  1.07653001  0.21872507
   0.31389801  1.14666985  0.03406922
   0.61863925  0.35757702  0.86809217
   0.72542710  0.63575379  0.62042070
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.627256    0.181928   -0.140945
    -0.000000    9.815136    0.024664
    -0.000000    0.000000   14.056905
   Si   O    H 
    32    64    10
Direct configuration=  3029
   0.21263605  0.21913071 -0.02871831
   0.35046887  0.09698121  0.37221515
   0.15441611  0.44344005  0.12029724
   0.41344521  0.34944346  0.24992411
   0.06412328  0.11878946  0.47921160
   0.42753365  0.13756229  0.83102744
   0.12994557  0.37512664  0.60572345
   0.37581693  0.38595821  0.73761824
   0.15452613  0.69219294  0.00954440
   0.45387353  0.60242619  0.36265143
   0.07382740  0.90528474  0.14359225
   0.33052458  0.83995781  0.26475742
   0.17594368  0.60699483  0.50474318
   0.36511973  0.63811647  0.84452258
   0.10710975  0.88100710  0.60245809
   0.39225301  0.97975403  0.67179458
   0.65445976  0.12989918  1.00473246
   0.82316573  0.14505132  0.34583106
   0.62329651  0.41690771  0.09539948
   0.88571416  0.29799534  0.14782798
   0.59847974  0.17218039  0.48839934
   0.92712114  0.11881607  0.91489629
   0.61841657  0.41451582  0.62331978
   0.76224956  0.36701829  0.81823495
   0.59413187  0.67850217 -0.02327273
   0.93460893  0.62174024  0.36908923
   0.55210264  0.89733835  0.13114574
   0.82034164  0.85274638  0.24240230
   0.69878406  0.70194656  0.47290977
   0.87053982  0.64535891  0.89905950
   0.66570331  0.91428756  0.59472259
   0.87910818  0.89896441  0.75532185
   0.11530774  0.06407705  0.15428110
   0.41357022  0.17831079  0.27020134
   0.17832028  0.37202666  0.01546164
   0.41609846  0.43333914  0.35571150
   0.55697099  0.39318985  0.19490549
   0.27815803  0.41340884  0.19402318
   0.18388276  0.13553130  0.39269688
  -0.06347953  0.19043018  0.42303396
   0.03522091 -0.02489957  0.51559554
   0.47928897  0.25345566  0.75904791
   0.09095238  0.22293606  0.56128624
   0.35787104  0.46965685  0.83860001
   0.46367432  0.45810358  0.65534016
   0.22261425  0.33534757  0.70320715
   0.28329493  0.21521793 -0.13144581
   0.06052534  0.13898798  0.98110764
   0.15544064  0.60423357  0.11028905
   0.39958312  0.68946739  0.27524597
   0.12696832  0.84463209  0.03823998
   0.36943924  0.93353914  0.35304868
   0.40994264  0.92939557  0.18462348
   0.17397213  0.84859938  0.23338808
   0.34765584  0.65888822  0.44416494
   0.10394877  0.61921766  0.39408797
   0.24281504  0.46417778  0.53822580
   0.28819180  0.68813387  0.75282189
   0.14974756  0.74293667  0.56251713
   0.38380105  0.99827106  0.78346855
   0.50413830  0.87318707  0.63194379
   0.23921161  0.98129293  0.62403771
   0.30095012  0.66903916 -0.04689643
   0.03343134  0.64944616  0.93006294
   0.60502284  0.05892963  0.10600924
   0.82969383  0.22061444  0.24283085
   0.62216314  0.29313708  0.02267963
   0.89370008  0.46215037  0.34623257
   0.02412735  0.38762964  0.16843292
   0.79104127  0.43372566  0.11084486
   0.66906342  0.17948971  0.38475146
   0.44537766  0.11961654  0.47481976
   0.68461067  0.07680241  0.55496585
   0.87890099  0.24714705  0.84706023
   0.61496621  0.32385352  0.53414491
   0.83314035  0.50615073  0.84880214
   1.01229541  0.49848335  0.58139910
   0.73535255  0.38415949  0.70450715
   0.80214760  0.06334416  0.98635060
   0.55478743  0.09812802  0.91235935
   0.55618499  0.55120550  0.04635093
   0.88256727  0.71003252  0.28256187
   0.52832670  0.81744362  0.02899276
   0.82869667  0.97969673  0.31783246
   0.91431986  0.87525965  0.14950737
   0.65985992  0.82753908  0.21073628
   0.86748850  0.69420826  0.46284713
   0.61329087  0.61230639  0.39253245
   0.68204101  0.56781651  0.57538831
   0.84303524  0.75647387  0.81706988
   0.61362136  0.85119798  0.46991722
   0.94421742  0.98690546  0.84856433
   1.00015201  0.85691870  0.68076797
   0.74668671  0.96685135  0.70583490
   0.75675536  0.66110576  0.97396821
   0.53208697  0.66886469  0.86466203
   0.75547117  0.77923359  0.58839553
   0.36196062  0.75524939  0.44792427
   0.90227002  0.21287861  0.06678656
   0.95017777  0.39611738  0.38563417
   0.45238951  0.11718442  0.64064230
   0.24191595  0.92327765  0.91224627
   0.16059650  1.07192425  0.21412874
   0.30897119  1.15000501  0.03092299
   0.62165677  0.35895446  0.86680348
   0.71885817  0.64037465  0.61956149
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.626006    0.183718   -0.140387
    -0.000000    9.815000    0.024001
    -0.000000    0.000000   14.058990
   Si   O    H 
    32    64    10
Direct configuration=  3030
   0.21384239  0.21849980 -0.02831840
   0.35130977  0.09654873  0.37188875
   0.15395626  0.44224314  0.11997527
   0.41380108  0.34974786  0.25027681
   0.06494473  0.11783397  0.48068019
   0.42667402  0.13832713  0.83185880
   0.13093469  0.37413035  0.60568398
   0.37467544  0.38653091  0.73699901
   0.15371102  0.69231859  0.00876605
   0.45384341  0.60103741  0.36242334
   0.07444747  0.90503296  0.14332608
   0.33164696  0.83994880  0.26423690
   0.17397916  0.60681067  0.50555524
   0.36371741  0.63705861  0.84424755
   0.10644372  0.88011728  0.60285103
   0.39254401  0.97842031  0.67052348
   0.65286015  0.12963450  1.00541725
   0.82315978  0.14556992  0.34653373
   0.62405727  0.41701713  0.09450294
   0.88442249  0.29928414  0.14691661
   0.59788168  0.17338041  0.48830478
   0.92844720  0.11925662  0.91530936
   0.62034419  0.41569149  0.62428426
   0.76202166  0.36724890  0.81911669
   0.59372806  0.67822144 -0.02297621
   0.93491550  0.62288820  0.36846536
   0.55191001  0.89836924  0.13152458
   0.81920379  0.85296425  0.24254301
   0.69762224  0.70084190  0.47358204
   0.86966878  0.64449804  0.89968690
   0.66599378  0.91436286  0.59441913
   0.87905133  0.90021191  0.75600246
   0.11576061  0.06398658  0.15408729
   0.41259815  0.18001755  0.27135818
   0.17791293  0.37036393  0.01714137
   0.41606629  0.43498888  0.35395607
   0.55720230  0.39377638  0.19524695
   0.27716480  0.41325356  0.19310637
   0.18346309  0.13542340  0.39287607
  -0.06244246  0.19056766  0.42370903
   0.03494299 -0.02457623  0.51517353
   0.47970279  0.25271180  0.75979712
   0.09006877  0.22172361  0.56215855
   0.35774797  0.47074008  0.83819947
   0.46396786  0.45894855  0.65513377
   0.22204510  0.33325340  0.70346206
   0.28391718  0.21457047 -0.13240605
   0.06025874  0.13952362  0.98034860
   0.15591040  0.60521678  0.10932145
   0.39920771  0.68715639  0.27618192
   0.12749139  0.84384921  0.03829472
   0.36944417  0.93400710  0.35186596
   0.40805845  0.92867282  0.18387607
   0.17217358  0.84909821  0.23407975
   0.34824132  0.65774832  0.44436657
   0.10375240  0.61969759  0.39518828
   0.24051481  0.46466137  0.53720302
   0.28801898  0.68853400  0.75279480
   0.15130796  0.74187279  0.56250543
   0.38426263  0.99663587  0.78389442
   0.50455100  0.87294874  0.63222095
   0.23941816  0.98186865  0.62300471
   0.30098604  0.66892028 -0.04762413
   0.03334773  0.64889489  0.92977618
   0.60588366  0.05842795  0.10700725
   0.82798706  0.22080598  0.24170726
   0.62328070  0.29220296  0.02269423
   0.89180919  0.46267306  0.34499822
   0.02528460  0.38762339  0.16848035
   0.79292969  0.42975211  0.11101051
   0.66870379  0.17999093  0.38470354
   0.44467424  0.11904688  0.47437562
   0.68447841  0.07686190  0.55562822
   0.88066700  0.24662789  0.84714172
   0.61483803  0.32346212  0.53396096
   0.83200566  0.50621151  0.84856265
   1.01429828  0.49909363  0.57987436
   0.73355963  0.38457285  0.70411076
   0.80202900  0.06505563  0.98605646
   0.55322754  0.09852952  0.91107785
   0.55702375  0.55108310  0.04735716
   0.88511709  0.71072455  0.28313180
   0.52683396  0.81695938  0.02866334
   0.82872713  0.97892811  0.31898428
   0.91624102  0.87480159  0.15077966
   0.65984748  0.82677965  0.21020082
   0.86575630  0.69397699  0.46409482
   0.61323390  0.61186446  0.39187220
   0.68091143  0.57018719  0.57489579
   0.84468415  0.75782919  0.81756296
   0.61485843  0.84945433  0.46894035
   0.94395728  0.98623838  0.84886818
   0.99968657  0.85686568  0.68039036
   0.74769590  0.96860890  0.70634813
   0.75635429  0.66302167  0.97475440
   0.53285554  0.66901434  0.86601575
   0.75553257  0.78888911  0.59000495
   0.36480477  0.75853621  0.44912157
   0.90209603  0.21272704  0.06722778
   0.95394236  0.40414972  0.38975364
   0.44571292  0.11859122  0.64061358
   0.24661185  0.91885079  0.91451362
   0.15515436  1.07286579  0.21333071
   0.30563263  1.15358848  0.03125455
   0.62932754  0.36129103  0.86443239
   0.71131942  0.64186152  0.62026714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.624906    0.185604   -0.140449
    -0.000000    9.814935    0.023686
    -0.000000    0.000000   14.061015
   Si   O    H 
    32    64    10
Direct configuration=  3031
   0.21529836  0.21800289 -0.02766542
   0.35218928  0.09658688  0.37169204
   0.15388343  0.44120247  0.11948243
   0.41406475  0.34943078  0.25031689
   0.06571970  0.11809412  0.48212835
   0.42638706  0.13912587  0.83326643
   0.13150724  0.37314571  0.60528604
   0.37385809  0.38669231  0.73645875
   0.15338633  0.69154822  0.00787301
   0.45353624  0.59872209  0.36239443
   0.07511184  0.90446370  0.14263207
   0.33294128  0.83954686  0.26351585
   0.17283761  0.60660075  0.50604254
   0.36338383  0.63557657  0.84399762
   0.10681610  0.87959738  0.60309742
   0.39304996  0.97771621  0.66889168
   0.65101778  0.12932570  1.00628975
   0.82356725  0.14626614  0.34665683
   0.62530121  0.41707291  0.09372337
   0.88339972  0.30036692  0.14616740
   0.59793888  0.17463366  0.48806996
   0.92877851  0.11939451  0.91519043
   0.62210876  0.41681005  0.62490291
   0.76177569  0.36772711  0.81982295
   0.59234963  0.67746929 -0.02279585
   0.93493078  0.62347043  0.36838830
   0.55192992  0.89969951  0.13208908
   0.81851502  0.85297475  0.24256308
   0.69590160  0.70021123  0.47393708
   0.86995508  0.64411607  0.89993868
   0.66543673  0.91408199  0.59419842
   0.87876782  0.90117590  0.75688806
   0.11536639  0.06399752  0.15265533
   0.41196398  0.18291623  0.27313581
   0.17776541  0.36901763  0.01833324
   0.41488129  0.43578792  0.35325159
   0.55685305  0.39361069  0.19619518
   0.27689768  0.41321066  0.19175149
   0.18363743  0.13457588  0.39330568
  -0.06126847  0.19112387  0.42457327
   0.03430825 -0.02551913  0.51534299
   0.47961313  0.25208275  0.76064417
   0.09013362  0.22114171  0.56391787
   0.35823685  0.47180618  0.83756428
   0.46461131  0.45942688  0.65452850
   0.22151723  0.33144561  0.70349972
   0.28398802  0.21391987 -0.13318424
   0.06051859  0.14026574  0.97932402
   0.15610822  0.60564432  0.10774063
   0.39836357  0.68499201  0.27636835
   0.12735640  0.84276751  0.03856673
   0.37001006  0.93421402  0.35079908
   0.40654421  0.92790942  0.18296428
   0.16999795  0.84942442  0.23405054
   0.34847217  0.65699988  0.44499623
   0.10329260  0.62082426  0.39625540
   0.23812052  0.46493295  0.53631416
   0.28758790  0.68889178  0.75288805
   0.15314809  0.74041854  0.56204432
   0.38390276  0.99452793  0.78462107
   0.50538300  0.87315108  0.63250244
   0.23898081  0.98295418  0.62223172
   0.30045572  0.66935272 -0.04836605
   0.03262915  0.64866323  0.92953657
   0.60677085  0.05718446  0.10783220
   0.82632767  0.22081306  0.24095227
   0.62443700  0.29134352  0.02211788
   0.89094945  0.46320200  0.34507279
   0.02544624  0.38756022  0.16873620
   0.79390590  0.42685167  0.11145734
   0.66848712  0.18087910  0.38464334
   0.44285301  0.11889809  0.47351852
   0.68464450  0.07678507  0.55660304
   0.88256474  0.24590883  0.84680191
   0.61482924  0.32303432  0.53368841
   0.83103708  0.50580621  0.84788974
   1.01676589  0.49907090  0.57852664
   0.73203921  0.38439062  0.70363185
   0.80152057  0.06722229  0.98581273
   0.55097247  0.09887396  0.90979687
   0.55823571  0.55161244  0.04864360
   0.88703395  0.71226100  0.28274753
   0.52734926  0.81635333  0.02891395
   0.82787980  0.97811300  0.32047323
   0.91785364  0.87448235  0.15225232
   0.65996550  0.82646402  0.20934455
   0.86404000  0.69381543  0.46514753
   0.61399895  0.61213940  0.39083630
   0.67921736  0.57271285  0.57411466
   0.84598532  0.75880265  0.81790398
   0.61609705  0.84714038  0.46792896
   0.94430625  0.98635027  0.84855684
   0.99872334  0.85678704  0.68080766
   0.74985896  0.97021027  0.70641119
   0.75668619  0.66487350  0.97585926
   0.53312496  0.66944905  0.86761703
   0.75766361  0.79728140  0.59190313
   0.36358726  0.75412164  0.45162825
   0.90083589  0.20799110  0.06770994
   0.94767187  0.41696918  0.39076458
   0.44155190  0.11451094  0.63963585
   0.25239629  0.91418374  0.91877555
   0.15645851  1.07843118  0.22423446
   0.30837463  1.15223665  0.03504630
   0.63368835  0.36340973  0.86139301
   0.70351717  0.63929144  0.62110550
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.623698    0.187935   -0.140248
    -0.000000    9.815134    0.023532
    -0.000000    0.000000   14.063131
   Si   O    H 
    32    64    10
Direct configuration=  3032
   0.21695093  0.21779743 -0.02699843
   0.35310032  0.09690634  0.37142227
   0.15464502  0.43997736  0.11880690
   0.41476825  0.34928002  0.25086243
   0.06678300  0.11788164  0.48276074
   0.42688042  0.13945863  0.83438057
   0.13131687  0.37246905  0.60529156
   0.37299202  0.38682989  0.73586185
   0.15285983  0.69067080  0.00708153
   0.45336460  0.59597797  0.36248951
   0.07633241  0.90429823  0.14183832
   0.33386159  0.83961787  0.26236741
   0.17122365  0.60653209  0.50635605
   0.36303586  0.63453033  0.84377051
   0.10730182  0.87974582  0.60347861
   0.39327929  0.97762835  0.66715642
   0.64907554  0.12867512  1.00677736
   0.82371942  0.14667546  0.34617076
   0.62634405  0.41685019  0.09282576
   0.88287819  0.30122498  0.14563324
   0.59808001  0.17622059  0.48769625
   0.92901004  0.11926751  0.91446009
   0.62381911  0.41847337  0.62515528
   0.76175265  0.36817667  0.82002441
   0.59123671  0.67718100 -0.02232829
   0.93538582  0.62464095  0.36905459
   0.55158854  0.90091803  0.13228657
   0.81768291  0.85299717  0.24246226
   0.69420282  0.70001993  0.47417456
   0.87059314  0.64394126  0.89961028
   0.66484673  0.91393195  0.59378254
   0.87879319  0.90162320  0.75780022
   0.11501615  0.06409107  0.15193160
   0.41081124  0.18511986  0.27449409
   0.17821554  0.36750867  0.01891936
   0.41411212  0.43670830  0.35305451
   0.55556577  0.39350789  0.19785693
   0.27701939  0.41226517  0.19068432
   0.18359368  0.13435896  0.39328518
  -0.06016372  0.19202142  0.42562900
   0.03322245 -0.02689722  0.51560606
   0.47996710  0.25175249  0.76134661
   0.09030006  0.22071676  0.56585663
   0.35833333  0.47161847  0.83682621
   0.46590309  0.45990644  0.65384451
   0.22065835  0.33060652  0.70350665
   0.28325435  0.21359662 -0.13358225
   0.06107348  0.14188494  0.97824067
   0.15615530  0.60601822  0.10576925
   0.39745527  0.68277193  0.27647959
   0.12714006  0.84237744  0.03889822
   0.37056593  0.93410018  0.35106462
   0.40554621  0.92611077  0.18204160
   0.16818199  0.84960603  0.23376791
   0.34884958  0.65675258  0.44533345
   0.10258709  0.62200943  0.39766752
   0.23642060  0.46469328  0.53535517
   0.28672005  0.68936870  0.75266109
   0.15468943  0.73954735  0.56195496
   0.38321235  0.99246944  0.78517676
   0.50574175  0.87265379  0.63270544
   0.23831638  0.98341786  0.62106560
   0.30018047  0.66967474 -0.04862817
   0.03253023  0.64782656  0.93011565
   0.60765009  0.05642655  0.10867041
   0.82502660  0.22028031  0.24041749
   0.62483311  0.28978744  0.02135825
   0.89004513  0.46440021  0.34453665
   0.02463280  0.38821201  0.16911298
   0.79365562  0.42436768  0.11187938
   0.66924343  0.18122084  0.38435553
   0.44083401  0.11824439  0.47289743
   0.68510020  0.07686709  0.55760101
   0.88470627  0.24532529  0.84628653
   0.61502274  0.32309561  0.53327873
   0.83046693  0.50588754  0.84757085
   1.01944224  0.49872574  0.57767192
   0.73040522  0.38383994  0.70307725
   0.80156858  0.06895990  0.98584069
   0.54895180  0.09939044  0.90901828
   0.55910408  0.55257559  0.04926784
   0.88906614  0.71406186  0.28204157
   0.52780291  0.81448220  0.02877098
   0.82582357  0.97599022  0.32207708
   0.91860863  0.87488197  0.15346027
   0.65991703  0.82562335  0.20774295
   0.86268509  0.69339711  0.46552907
   0.61450784  0.61291607  0.38996837
   0.67716244  0.57468558  0.57376526
   0.84628790  0.75977854  0.81777926
   0.61818399  0.84438832  0.46741384
   0.94452359  0.98687680  0.84871748
   0.99755558  0.85642455  0.68198901
   0.75091464  0.97226646  0.70638242
   0.75719891  0.66716600  0.97747517
   0.53355639  0.66997657  0.86923148
   0.76368706  0.79913169  0.59395666
   0.36060842  0.75171780  0.45335623
   0.90051973  0.20370515  0.06846687
   0.94511229  0.42324998  0.39521737
   0.43992706  0.10774995  0.63730423
   0.25704822  0.90842667  0.92108221
   0.15865095  1.08398927  0.22819620
   0.31594431  1.15037635  0.04108213
   0.63181525  0.36308956  0.86187522
   0.69686757  0.64129886  0.62599484
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.622466    0.189587   -0.139628
    -0.000000    9.815685    0.022488
    -0.000000    0.000000   14.065179
   Si   O    H 
    32    64    10
Direct configuration=  3033
   0.21829977  0.21729682 -0.02666148
   0.35362589  0.09735789  0.37074213
   0.15578607  0.43883771  0.11827603
   0.41509460  0.34887413  0.25133646
   0.06798259  0.11847165  0.48290289
   0.42749856  0.13937094  0.83552627
   0.13006854  0.37149651  0.60554753
   0.37245782  0.38654990  0.73564119
   0.15212516  0.68964776  0.00637873
   0.45276553  0.59318720  0.36288703
   0.07763546  0.90388250  0.14135694
   0.33365740  0.83977959  0.26140859
   0.16996979  0.60597233  0.50641795
   0.36263975  0.63391716  0.84369931
   0.10815529  0.88048582  0.60403419
   0.39383239  0.97811393  0.66586201
   0.64700041  0.12783182  1.00723462
   0.82409462  0.14664143  0.34512718
   0.62750929  0.41615458  0.09187152
   0.88324355  0.30192094  0.14572238
   0.59793475  0.17718595  0.48679134
   0.92917231  0.11869940  0.91350323
   0.62499684  0.41995591  0.62531479
   0.76233062  0.36812637  0.82042177
   0.58988390  0.67704912 -0.02219546
   0.93619690  0.62605777  0.36988147
   0.55126962  0.90241956  0.13221376
   0.81683548  0.85277564  0.24218880
   0.69260854  0.70033682  0.47449901
   0.87158334  0.64367681  0.89891604
   0.66425271  0.91402483  0.59336777
   0.87889535  0.90107563  0.75853375
   0.11458990  0.06487315  0.15218384
   0.40959627  0.18769620  0.27608673
   0.17871452  0.36602673  0.01984668
   0.41337335  0.43830479  0.35375570
   0.55403127  0.39274510  0.19881812
   0.27803233  0.41099573  0.18970417
   0.18358092  0.13479091  0.39389722
  -0.05972157  0.19322516  0.42588859
   0.03301617 -0.02960201  0.51594924
   0.48091505  0.25144343  0.76159278
   0.09079914  0.22011470  0.56794643
   0.35888753  0.47052363  0.83540287
   0.46588414  0.46016158  0.65374016
   0.22003270  0.33061890  0.70349808
   0.28268530  0.21369845 -0.13345828
   0.06195553  0.14325856  0.97744263
   0.15660309  0.60586177  0.10417328
   0.39620533  0.68097228  0.27579545
   0.12642161  0.84270696  0.03963479
   0.37094106  0.93369515  0.35163593
   0.40448141  0.92387346  0.18105423
   0.16675536  0.84980359  0.23382663
   0.34860808  0.65583892  0.44546388
   0.10162232  0.62285451  0.39903209
   0.23490934  0.46393485  0.53476682
   0.28581806  0.68987759  0.75212676
   0.15628121  0.73870181  0.56191439
   0.38278309  0.99127475  0.78589832
   0.50599935  0.87154560  0.63239776
   0.23842207  0.98374930  0.61967676
   0.30009981  0.66910197 -0.04863161
   0.03289063  0.64736425  0.93056004
   0.60717957  0.05523366  0.10913502
   0.82306892  0.22014767  0.23988599
   0.62522924  0.28872064  0.02056034
   0.88956016  0.46551208  0.34451843
   0.02411192  0.38823655  0.16956690
   0.79234880  0.42302182  0.11218541
   0.66992887  0.18110057  0.38491184
   0.43874891  0.11764579  0.47213961
   0.68566419  0.07461074  0.55882664
   0.88588240  0.24517587  0.84576616
   0.61499946  0.32410051  0.53291818
   0.83036764  0.50595476  0.84707908
   1.02155407  0.49804434  0.57690598
   0.72968279  0.38272136  0.70323955
   0.80141339  0.07114684  0.98586053
   0.54693034  0.09963808  0.90883196
   0.55953446  0.55244002  0.05005932
   0.89075814  0.71574539  0.28171309
   0.52810100  0.81301059  0.02891317
   0.82360472  0.97412573  0.32335542
   0.91883707  0.87486468  0.15413656
   0.65959881  0.82517336  0.20650630
   0.86120364  0.69321694  0.46543051
   0.61510342  0.61359953  0.38940552
   0.67543170  0.57652208  0.57375866
   0.84642042  0.76103447  0.81730835
   0.62101468  0.84196635  0.46704768
   0.94544039  0.98688024  0.84883970
   0.99623307  0.85601193  0.68355891
   0.75173276  0.97461633  0.70618908
   0.75659880  0.66889531  0.97895959
   0.53327359  0.67091560  0.87104385
   0.77010246  0.79848708  0.59914027
   0.35759028  0.75661988  0.45898906
   0.89736640  0.20330985  0.06890433
   0.94464383  0.42513622  0.39941429
   0.44019059  0.10289580  0.63391077
   0.26205281  0.90591712  0.92180750
   0.15680568  1.08768190  0.22155610
   0.32154367  1.15035953  0.04471857
   0.62521420  0.36018753  0.86353291
   0.69239251  0.64157529  0.63163979
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.621404    0.191691   -0.138670
    -0.000000    9.816469    0.021584
    -0.000000    0.000000   14.067653
   Si   O    H 
    32    64    10
Direct configuration=  3034
   0.21912174  0.21682591 -0.02604244
   0.35349563  0.09772634  0.37027921
   0.15620372  0.43879376  0.11852530
   0.41511273  0.34837403  0.25201819
   0.06873010  0.11955608  0.48283053
   0.42817753  0.13948027  0.83668732
   0.12991540  0.37033146  0.60557850
   0.37136101  0.38572911  0.73535193
   0.15157035  0.68836861  0.00579156
   0.45215569  0.59091056  0.36333992
   0.07887626  0.90394567  0.14058749
   0.33314486  0.83962410  0.26054280
   0.16893837  0.60557295  0.50645136
   0.36189426  0.63339764  0.84331887
   0.10910338  0.88198697  0.60433484
   0.39439326  0.97851546  0.66542950
   0.64503159  0.12723645  1.00730197
   0.82448019  0.14596098  0.34412719
   0.62853460  0.41530604  0.09115511
   0.88433800  0.30186900  0.14586414
   0.59740048  0.17812992  0.48641662
   0.92854584  0.11816228  0.91251601
   0.62603875  0.42109682  0.62504755
   0.76287858  0.36797029  0.82076817
   0.58907866  0.67753459 -0.02240330
   0.93781648  0.62710533  0.37031546
   0.55171759  0.90431245  0.13145306
   0.81604221  0.85287700  0.24183016
   0.69144300  0.69992873  0.47489179
   0.87287401  0.64349669  0.89818451
   0.66475447  0.91376245  0.59356571
   0.87893187  0.90068889  0.75944426
   0.11397118  0.06591972  0.15320783
   0.40770705  0.18955362  0.27740955
   0.17861067  0.36403884  0.01978250
   0.41211742  0.43913678  0.35430420
   0.55229133  0.39155872  0.19906995
   0.28009740  0.40959662  0.18933574
   0.18419983  0.13453780  0.39455273
  -0.06013555  0.19450442  0.42614488
   0.03291269 -0.03240452  0.51640024
   0.48183044  0.25143191  0.76152933
   0.09133247  0.21924328  0.57026823
   0.35958436  0.46868964  0.83413665
   0.46528855  0.46093816  0.65415523
   0.21905191  0.33098210  0.70330069
   0.28097916  0.21397342 -0.13321753
   0.06399170  0.14511197  0.97694076
   0.15803328  0.60616938  0.10260380
   0.39517319  0.67959199  0.27389020
   0.12547842  0.84250660  0.04030401
   0.37113403  0.93340581  0.35265353
   0.40368922  0.92267975  0.18050496
   0.16603819  0.85019453  0.23384861
   0.34732645  0.65574521  0.44654252
   0.10037784  0.62398972  0.40064788
   0.23386935  0.46196621  0.53443739
   0.28533880  0.69071750  0.75185929
   0.15814366  0.73780847  0.56163677
   0.38233156  0.99023457  0.78641733
   0.50658119  0.87050026  0.63146437
   0.23845021  0.98382317  0.61905989
   0.29942963  0.66869855 -0.04813440
   0.03338153  0.64737719  0.93111416
   0.60648162  0.05427689  0.10965834
   0.82202336  0.22081283  0.23924376
   0.62544645  0.28813316  0.02035115
   0.88971848  0.46668100  0.34503192
   0.02307819  0.38782476  0.17048599
   0.79017241  0.42233228  0.11244875
   0.67107496  0.18139376  0.38537239
   0.43668880  0.11715973  0.47118005
   0.68594667  0.07241493  0.55968731
   0.88640672  0.24545260  0.84544150
   0.61496895  0.32529364  0.53286299
   0.82957973  0.50565838  0.84614728
   1.02288230  0.49744435  0.57581087
   0.73045284  0.38067374  0.70364510
   0.80125903  0.07354777  0.98573406
   0.54486580  0.09983570  0.90870102
   0.55939863  0.55241640  0.04983987
   0.89277172  0.71775014  0.28179380
   0.52930006  0.81248542  0.02918310
   0.82272951  0.97211148  0.32475511
   0.91871724  0.87466621  0.15450814
   0.65922831  0.82451643  0.20487417
   0.85915879  0.69281760  0.46530881
   0.61541557  0.61411673  0.38886992
   0.67433134  0.57794320  0.57393825
   0.84627582  0.76217655  0.81654270
   0.62356813  0.84087562  0.46728215
   0.94650284  0.98726622  0.84879553
   0.99529057  0.85555184  0.68483745
   0.75210644  0.97619089  0.70565415
   0.75626924  0.67086363  0.98125542
   0.53243273  0.67159519  0.87226152
   0.77724786  0.79422435  0.60325513
   0.35966300  0.75507237  0.46313274
   0.89521265  0.20366191  0.07173916
   0.93737445  0.42404603  0.40152073
   0.44341082  0.10285094  0.63118505
   0.26601454  0.90011069  0.92202573
   0.15117807  1.08710219  0.20748799
   0.32030182  1.15128669  0.04371668
   0.62077263  0.35673237  0.86306356
   0.69156621  0.63790065  0.63384248
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.620803    0.194141   -0.137771
    -0.000000    9.817465    0.020138
    -0.000000    0.000000   14.070215
   Si   O    H 
    32    64    10
Direct configuration=  3035
   0.21994090  0.21594454 -0.02517457
   0.35282184  0.09808496  0.37039581
   0.15648045  0.43873522  0.11892815
   0.41504089  0.34867573  0.25273437
   0.07030918  0.12067556  0.48267823
   0.42851489  0.14006847  0.83749345
   0.12970554  0.36981678  0.60554667
   0.37045681  0.38515345  0.73537510
   0.15146223  0.68737105  0.00533326
   0.45224093  0.58885724  0.36336632
   0.08020543  0.90506166  0.14027643
   0.33225605  0.83963130  0.25952131
   0.16723347  0.60583073  0.50660738
   0.36165608  0.63372327  0.84316430
   0.10882408  0.88319487  0.60522038
   0.39521081  0.97949781  0.66554705
   0.64320395  0.12626846  1.00697665
   0.82466855  0.14565693  0.34318228
   0.62890766  0.41439853  0.09061757
   0.88562158  0.30117560  0.14579856
   0.59685454  0.17932716  0.48629706
   0.92869141  0.11745720  0.91174179
   0.62701491  0.42261089  0.62397756
   0.76369155  0.36815654  0.82176786
   0.58827310  0.67787636 -0.02233617
   0.93907490  0.62793123  0.37084411
   0.55174225  0.90569942  0.13058618
   0.81550009  0.85286928  0.24159423
   0.69015644  0.69932675  0.47520682
   0.87344609  0.64399282  0.89730711
   0.66541963  0.91321757  0.59380164
   0.87896719  0.90040468  0.76087760
   0.11236585  0.06708007  0.15249595
   0.40666781  0.19144902  0.27864726
   0.17949170  0.36164287  0.01940018
   0.41071063  0.43848362  0.35407333
   0.55094341  0.39035630  0.19936289
   0.28325464  0.40679525  0.18941067
   0.18529359  0.13437838  0.39464196
  -0.06110568  0.19587557  0.42617532
   0.03191936 -0.03546943  0.51632363
   0.48333084  0.25213169  0.76091558
   0.09254390  0.21846773  0.57227711
   0.36075866  0.46693922  0.83271920
   0.46530810  0.46161758  0.65503106
   0.21803685  0.33105194  0.70238202
   0.27958863  0.21417631 -0.13287606
   0.06490642  0.14625010  0.97615393
   0.16042775  0.60640179  0.10107884
   0.39464660  0.67934274  0.27169398
   0.12503667  0.84274293  0.04058043
   0.36976042  0.93287695  0.35367096
   0.40313656  0.92160690  0.17954675
   0.16511111  0.84966849  0.23413670
   0.34692770  0.65547034  0.44730034
   0.09967403  0.62516609  0.40170630
   0.23331310  0.45989914  0.53425771
   0.28550226  0.69184425  0.75154592
   0.15892687  0.73714552  0.56183815
   0.38241206  0.98959237  0.78674720
   0.50792073  0.86874797  0.63039518
   0.23833346  0.98390428  0.61875709
   0.29894185  0.66838567 -0.04864860
   0.03363872  0.64807606  0.93161045
   0.60629670  0.05441110  0.10971659
   0.82129962  0.22088456  0.23852729
   0.62602300  0.28695093  0.02047347
   0.89013015  0.46734022  0.34547339
   0.02154936  0.38793007  0.17155253
   0.78756231  0.42172304  0.11232915
   0.67301627  0.18244756  0.38630840
   0.43487626  0.11640026  0.47009162
   0.68671699  0.07066349  0.56064343
   0.88706603  0.24715112  0.84503330
   0.61455367  0.32651237  0.53276749
   0.82968514  0.50610538  0.84526268
   1.02402178  0.49654329  0.57450634
   0.73173956  0.37903189  0.70488437
   0.80187093  0.07641303  0.98568502
   0.54232522  0.09985255  0.90925383
   0.56031067  0.55229859  0.04978538
   0.89443413  0.71999471  0.28165047
   0.53014522  0.81231656  0.03050498
   0.82200225  0.97053120  0.32580034
   0.91807849  0.87413357  0.15440330
   0.65862060  0.82398423  0.20359729
   0.85665156  0.69209720  0.46504751
   0.61610442  0.61448120  0.38860220
   0.67293562  0.57931203  0.57394913
   0.84624146  0.76271174  0.81643953
   0.62467677  0.84014029  0.46749895
   0.94765813  0.98835583  0.84808955
   0.99469515  0.85516292  0.68584799
   0.75240322  0.97770926  0.70513621
   0.75656665  0.67187617  0.98305321
   0.53200431  0.67268755  0.87277069
   0.77985181  0.79036722  0.60714878
   0.35844360  0.74816404  0.46904602
   0.89681783  0.20038586  0.07477899
   0.92637949  0.42140158  0.39975382
   0.45133734  0.10496015  0.62762522
   0.26950457  0.89737299  0.92153437
   0.15847695  1.09331189  0.21442692
   0.31713721  1.15173731  0.04144530
   0.61657269  0.35108325  0.86216024
   0.68948358  0.63461788  0.63211327
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.620260    0.196896   -0.136853
    -0.000000    9.818471    0.018607
    -0.000000    0.000000   14.072940
   Si   O    H 
    32    64    10
Direct configuration=  3036
   0.21997214  0.21537525 -0.02441574
   0.35209369  0.09853215  0.37091705
   0.15719831  0.43880075  0.11877747
   0.41533543  0.34938151  0.25306144
   0.07192215  0.12172972  0.48286213
   0.42860001  0.14014935  0.83810746
   0.12940445  0.36968242  0.60598925
   0.36974996  0.38466663  0.73581117
   0.15096155  0.68720853  0.00420659
   0.45234356  0.58717362  0.36362043
   0.08118119  0.90543053  0.14004154
   0.33138345  0.83956714  0.25906098
   0.16492643  0.60553032  0.50649769
   0.36127683  0.63417391  0.84277778
   0.10845167  0.88369910  0.60590791
   0.39581856  0.98098863  0.66581674
   0.64160704  0.12565426  1.00671010
   0.82469982  0.14557125  0.34215648
   0.62860206  0.41356008  0.09040796
   0.88703063  0.29989251  0.14548114
   0.59588355  0.18035384  0.48635590
   0.92879885  0.11676558  0.91111346
   0.62787339  0.42397530  0.62353051
   0.76394302  0.36839397  0.82247324
   0.58718460  0.67810290 -0.02214771
   0.94004092  0.62867346  0.37119368
   0.55184550  0.90661445  0.12989996
   0.81471055  0.85340683  0.24146952
   0.68951068  0.69812726  0.47554400
   0.87347825  0.64440780  0.89640615
   0.66580699  0.91278881  0.59418605
   0.87896554  0.89996316  0.76253379
   0.11222932  0.06781679  0.15216110
   0.40532517  0.19234643  0.27962196
   0.18000976  0.36014632  0.01912939
   0.40933294  0.43728098  0.35346131
   0.54892451  0.38872150  0.19932849
   0.28737104  0.40382486  0.18941855
   0.18678622  0.13395336  0.39516423
  -0.06233333  0.19600892  0.42565154
   0.03152877 -0.03851299  0.51634767
   0.48453545  0.25269149  0.76033788
   0.09321181  0.21752568  0.57421539
   0.36212521  0.46507948  0.83117962
   0.46500203  0.46293458  0.65665462
   0.21759035  0.33162048  0.70195649
   0.27838311  0.21414788 -0.13261453
   0.06572233  0.14709256  0.97525819
   0.16288858  0.60535281  0.09933079
   0.39450661  0.67994003  0.26987500
   0.12466059  0.84311030  0.04031970
   0.36828657  0.93267982  0.35451338
   0.40250541  0.92055663  0.17789589
   0.16427751  0.84916678  0.23472800
   0.34618607  0.65563103  0.44819601
   0.09849429  0.62616161  0.40174912
   0.23404515  0.45767997  0.53430701
   0.28577022  0.69317195  0.75106729
   0.15965300  0.73671219  0.56185529
   0.38298916  0.98860121  0.78683273
   0.50929159  0.86656650  0.62921536
   0.23846746  0.98382115  0.61927580
   0.29853031  0.66780265 -0.04995332
   0.03362609  0.64872120  0.93226941
   0.60619861  0.05511926  0.10906960
   0.82042101  0.22091957  0.23765444
   0.62577104  0.28622182  0.02046297
   0.89018355  0.46727975  0.34588529
   0.02021372  0.38788869  0.17275410
   0.78582224  0.42188802  0.11261354
   0.67457605  0.18280224  0.38761423
   0.43438619  0.11670040  0.46918444
   0.68588440  0.06970604  0.56081953
   0.88734458  0.24932859  0.84475909
   0.61306701  0.32786018  0.53282837
   0.83038810  0.50777482  0.84408589
   1.02588294  0.49520188  0.57391040
   0.73342738  0.37691352  0.70639038
   0.80287929  0.07949796  0.98528546
   0.54125832  0.09976702  0.90977511
   0.56132376  0.55191547  0.04946995
   0.89584672  0.72195675  0.28176981
   0.53109368  0.81263278  0.03171863
   0.82131614  0.96911674  0.32682600
   0.91825855  0.87449299  0.15420254
   0.65800099  0.82303869  0.20298917
   0.85433526  0.69161295  0.46436224
   0.61751067  0.61483731  0.38873677
   0.67118801  0.58033839  0.57429528
   0.84688640  0.76311477  0.81681280
   0.62395356  0.84104246  0.46786395
   0.94802847  0.98922220  0.84771221
   0.99507493  0.85540333  0.68668889
   0.75255271  0.97859659  0.70446195
   0.75684169  0.67228345  0.98467371
   0.53112425  0.67392802  0.87279140
   0.77487083  0.78988755  0.60945487
   0.35829063  0.74214693  0.47357115
   0.89628862  0.19681739  0.07841279
   0.92273682  0.41385557  0.40171174
   0.45835060  0.10690836  0.62478806
   0.27088297  0.89794017  0.92017214
   0.16118070  1.09607346  0.21700934
   0.31491775  1.15175783  0.03903695
   0.62107599  0.34607584  0.86018982
   0.69011308  0.63463454  0.63075349
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.619777    0.199429   -0.136132
    -0.000000    9.819807    0.017795
    -0.000000    0.000000   14.075155
   Si   O    H 
    32    64    10
Direct configuration=  3037
   0.22012999  0.21504009 -0.02400803
   0.35129333  0.09876540  0.37166972
   0.15824242  0.43883747  0.11861136
   0.41561972  0.34999374  0.25349366
   0.07328970  0.12269590  0.48317779
   0.42874960  0.14058970  0.83829927
   0.12948462  0.37021799  0.60667820
   0.36944821  0.38346603  0.73577227
   0.15049735  0.68697009  0.00337929
   0.45228492  0.58629049  0.36348186
   0.08159774  0.90587279  0.13997319
   0.33038657  0.83917974  0.25880688
   0.16298590  0.60407067  0.50660735
   0.36120513  0.63472532  0.84218083
   0.10807514  0.88399229  0.60675834
   0.39609393  0.98322961  0.66628110
   0.64064903  0.12508972  1.00589186
   0.82478396  0.14570103  0.34145655
   0.62760492  0.41240388  0.09096352
   0.88855839  0.29942143  0.14517563
   0.59505638  0.18032917  0.48661658
   0.92930795  0.11622826  0.91040820
   0.62766237  0.42505331  0.62295248
   0.76458665  0.36834415  0.82293831
   0.58660614  0.67869058 -0.02186439
   0.94054512  0.62954302  0.37140289
   0.55155171  0.90665494  0.12933395
   0.81457145  0.85374292  0.24129668
   0.68929031  0.69689877  0.47572606
   0.87294313  0.64508879  0.89599101
   0.66654955  0.91192558  0.59455206
   0.87903430  0.89959378  0.76411661
   0.11188798  0.06952330  0.15289615
   0.40376151  0.19238901  0.28035715
   0.18046022  0.35964565  0.01865343
   0.40846889  0.43533756  0.35292189
   0.54729681  0.38655460  0.19914112
   0.29064556  0.40138825  0.18954142
   0.18771216  0.13371668  0.39545940
  -0.06358477  0.19498587  0.42499284
   0.03050633 -0.04172240  0.51584046
   0.48549238  0.25325677  0.76019739
   0.09338658  0.21616067  0.57542544
   0.36340317  0.46435759  0.83007233
   0.46443601  0.46354448  0.65843595
   0.21742395  0.33225883  0.70157167
   0.27748090  0.21413734 -0.13236671
   0.06676429  0.14781604  0.97426899
   0.16511953  0.60456358  0.09821511
   0.39504492  0.68101945  0.26829242
   0.12486232  0.84430007  0.04000950
   0.36600651  0.93256928  0.35483285
   0.40178779  0.91866798  0.17628630
   0.16354506  0.84776610  0.23570805
   0.34499897  0.65470109  0.44883745
   0.09755981  0.62732640  0.40213827
   0.23482211  0.45565679  0.53476256
   0.28696345  0.69583139  0.75038450
   0.16049478  0.73700011  0.56285890
   0.38363906  0.98824131  0.78735625
   0.51025898  0.86501410  0.62848025
   0.23927392  0.98361445  0.61974050
   0.29789080  0.66723178 -0.05094307
   0.03321531  0.64956419  0.93252987
   0.60618086  0.05574134  0.10793457
   0.82015694  0.22124725  0.23712187
   0.62466465  0.28482306  0.02077555
   0.89069384  0.46728474  0.34647998
   0.01864620  0.38850318  0.17337853
   0.78464673  0.42260198  0.11315376
   0.67545621  0.18265599  0.38891686
   0.43390713  0.11741323  0.46832513
   0.68553490  0.06923439  0.56062297
   0.88786552  0.25167289  0.84430039
   0.61191555  0.32970599  0.53275590
   0.83077563  0.50958028  0.84271813
   1.02724919  0.49403839  0.57348728
   0.73477676  0.37485806  0.70669784
   0.80332375  0.08311831  0.98484709
   0.54113448  0.09992879  0.91141525
   0.56159148  0.55192271  0.04916822
   0.89691092  0.72404142  0.28198808
   0.53249332  0.81336320  0.03266509
   0.82082737  0.96875508  0.32801145
   0.91840493  0.87639585  0.15410808
   0.65703523  0.82270904  0.20293438
   0.85255500  0.69122955  0.46352091
   0.61855625  0.61505093  0.38828102
   0.66971484  0.58051909  0.57425898
   0.84730486  0.76393493  0.81696112
   0.62317160  0.84155990  0.46906528
   0.94788470  0.98936263  0.84661368
   0.99547915  0.85595482  0.68764714
   0.75318025  0.97939701  0.70376040
   0.75834353  0.67267532  0.98599636
   0.53067645  0.67427609  0.87220201
   0.76500932  0.79260350  0.60955546
   0.36300437  0.74388763  0.48058739
   0.89657560  0.19028286  0.07941142
   0.91951538  0.40399753  0.40116987
   0.46345224  0.10485882  0.62294647
   0.27281794  0.90309313  0.92017613
   0.15694318  1.09705390  0.21022672
   0.31716013  1.14873182  0.03692692
   0.62900029  0.34118175  0.86001128
   0.69306862  0.64096446  0.63062898
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.619287    0.201640   -0.135211
    -0.000000    9.821078    0.017449
    -0.000000    0.000000   14.077372
   Si   O    H 
    32    64    10
Direct configuration=  3038
   0.22032096  0.21501608 -0.02353714
   0.35067811  0.09812419  0.37194511
   0.15955913  0.43900383  0.11858118
   0.41570469  0.35145730  0.25346731
   0.07411947  0.12333926  0.48337881
   0.42774113  0.14045859  0.83782994
   0.12938568  0.37116405  0.60755002
   0.36984883  0.38249056  0.73597660
   0.15031872  0.68730743  0.00252970
   0.45204929  0.58485081  0.36306759
   0.08210933  0.90565999  0.13954587
   0.32981046  0.83921864  0.25890490
   0.16090658  0.60200744  0.50633811
   0.36153772  0.63543139  0.84191042
   0.10759871  0.88412293  0.60742822
   0.39674328  0.98537308  0.66670680
   0.63967843  0.12471705  1.00464961
   0.82452229  0.14612993  0.34114171
   0.62640543  0.41211629  0.09148887
   0.89076770  0.29947603  0.14492909
   0.59457467  0.17919627  0.48663398
   0.92999853  0.11606203  0.91012301
   0.62728152  0.42580240  0.62209758
   0.76538167  0.36768824  0.82317943
   0.58672082  0.67922237 -0.02164807
   0.94033083  0.63029982  0.37141406
   0.55121282  0.90651902  0.12878356
   0.81475430  0.85436292  0.24111959
   0.68962529  0.69551358  0.47617289
   0.87120594  0.64541388  0.89572419
   0.66799975  0.91140012  0.59507983
   0.87913323  0.89921069  0.76525579
   0.11091767  0.07155042  0.15346859
   0.40172915  0.19188753  0.28077830
   0.18175048  0.35913023  0.01799162
   0.40752485  0.43337741  0.35252494
   0.54698619  0.38505625  0.19847913
   0.29266919  0.39877893  0.18946084
   0.18839759  0.13279685  0.39580659
  -0.06494735  0.19364597  0.42393142
   0.02966235 -0.04397302  0.51473149
   0.48548329  0.25403075  0.76000735
   0.09405081  0.21495206  0.57659230
   0.36432176  0.46526950  0.82907846
   0.46392751  0.46393162  0.66006919
   0.21812823  0.33257508  0.70128342
   0.27621277  0.21417680 -0.13152439
   0.06720853  0.14823857  0.97311727
   0.16798001  0.60353455  0.09682170
   0.39534101  0.68196806  0.26702876
   0.12566538  0.84546840  0.03940897
   0.36366378  0.93301886  0.35531243
   0.40154091  0.91721522  0.17457757
   0.16307026  0.84645490  0.23623447
   0.34371665  0.65446571  0.44945354
   0.09808581  0.62847153  0.40252575
   0.23589062  0.45408991  0.53540180
   0.28775227  0.69807200  0.74992129
   0.16147561  0.73749288  0.56376817
   0.38434649  0.98855893  0.78737925
   0.51008550  0.86355176  0.62808940
   0.24031792  0.98293805  0.61987691
   0.29617582  0.66662835 -0.05211656
   0.03277939  0.64970173  0.93248578
   0.60573653  0.05671561  0.10633950
   0.81976547  0.22092382  0.23624837
   0.62355524  0.28281678  0.02099184
   0.89196548  0.46739435  0.34740332
   0.01818245  0.38998664  0.17327685
   0.78342110  0.42209819  0.11377141
   0.67592723  0.18268925  0.38949726
   0.43432143  0.11830140  0.46791821
   0.68479180  0.06888364  0.56002282
   0.88778084  0.25418891  0.84432261
   0.61048681  0.33048262  0.53298916
   0.83128937  0.51136322  0.84205352
   1.02847779  0.49300533  0.57375234
   0.73477614  0.37308686  0.70709871
   0.80354843  0.08669723  0.98450748
   0.54217607  0.09953970  0.91282723
   0.56125499  0.55145169  0.04869620
   0.89866827  0.72529530  0.28236540
   0.53456761  0.81412021  0.03361687
   0.82026263  0.96894985  0.32873255
   0.91804733  0.87833102  0.15374159
   0.65600623  0.82317030  0.20287042
   0.85125848  0.69020782  0.46223425
   0.61947085  0.61445853  0.38755884
   0.66786825  0.58033126  0.57369759
   0.84812456  0.76419692  0.81741570
   0.62193621  0.84236336  0.47114783
   0.94748082  0.98915570  0.84506981
   0.99647636  0.85643183  0.68827502
   0.75319148  0.97888599  0.70298340
   0.76031169  0.67318156  0.98675633
   0.52984551  0.67451011  0.87106818
   0.75632816  0.79375064  0.60962004
   0.36809240  0.74161232  0.48454261
   0.89940254  0.18573837  0.07703889
   0.91232142  0.40298324  0.39654279
   0.46832406  0.10129447  0.62430342
   0.27016759  0.91187940  0.91997725
   0.15311042  1.09735256  0.20810732
   0.32425545  1.14039295  0.03683912
   0.63468365  0.33802453  0.86194156
   0.69599456  0.64781646  0.62810029
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.618546    0.204779   -0.134263
    -0.000000    9.822605    0.017350
    -0.000000    0.000000   14.079292
   Si   O    H 
    32    64    10
Direct configuration=  3039
   0.22002365  0.21475647 -0.02274388
   0.34963654  0.09750931  0.37195999
   0.16067503  0.43801144  0.11834731
   0.41553291  0.35215230  0.25357527
   0.07443010  0.12375404  0.48314229
   0.42621041  0.13980735  0.83722715
   0.12988204  0.37246102  0.60780929
   0.37024195  0.38105204  0.73607002
   0.14986607  0.68763716  0.00207731
   0.45182499  0.58408233  0.36248032
   0.08230525  0.90598000  0.13932287
   0.32991621  0.83938544  0.25900491
   0.15892139  0.60006220  0.50621498
   0.36232970  0.63648588  0.84179263
   0.10709382  0.88414518  0.60782861
   0.39765744  0.98759968  0.66739884
   0.63875951  0.12447828  1.00328993
   0.82399013  0.14629278  0.34128578
   0.62450035  0.41193259  0.09164764
   0.89240193  0.29987237  0.14446335
   0.59504462  0.17810769  0.48651795
   0.92996342  0.11653667  0.90972508
   0.62608535  0.42641353  0.62168685
   0.76626277  0.36686966  0.82374922
   0.58656338  0.67946807 -0.02145966
   0.93977264  0.63091253  0.37131034
   0.55138589  0.90512374  0.12817429
   0.81540481  0.85521900  0.24078453
   0.69045296  0.69436951  0.47708690
   0.86957436  0.64514223  0.89606897
   0.66949031  0.91129817  0.59547406
   0.87896950  0.89897806  0.76596291
   0.10968128  0.07352027  0.15251262
   0.39999552  0.19136422  0.28097473
   0.18288913  0.35943642  0.01832251
   0.40635889  0.43239242  0.35190192
   0.54769608  0.38371144  0.19752692
   0.29318248  0.39665268  0.18902005
   0.18899858  0.13223393  0.39655806
  -0.06611961  0.19218972  0.42277341
   0.02769157 -0.04529986  0.51356587
   0.48456895  0.25352516  0.75949523
   0.09467729  0.21314881  0.57783770
   0.36584001  0.46729632  0.82852249
   0.46437882  0.46429476  0.66146061
   0.21952391  0.33241817  0.70163701
   0.27509890  0.21486243 -0.13148251
   0.06805610  0.14887185  0.97213728
   0.17016066  0.60148261  0.09535327
   0.39561459  0.68177201  0.26606789
   0.12579158  0.84550717  0.03912273
   0.36193511  0.93378055  0.35507182
   0.40109704  0.91609969  0.17283708
   0.16270466  0.84556114  0.23640176
   0.34362732  0.65403384  0.45021296
   0.09856611  0.62979547  0.40300787
   0.23702514  0.45220738  0.53591812
   0.28824194  0.70070179  0.74902462
   0.16341760  0.73929644  0.56505973
   0.38520821  0.98969080  0.78753638
   0.50922522  0.86269569  0.62782888
   0.24191461  0.98082476  0.62059797
   0.29500042  0.66561718 -0.05330321
   0.03240917  0.64997382  0.93194702
   0.60509130  0.05781305  0.10499012
   0.81956088  0.22181329  0.23606962
   0.62265122  0.28146070  0.02175992
   0.89289354  0.46763703  0.34838841
   0.01791815  0.39157399  0.17301875
   0.78272457  0.42138284  0.11442390
   0.67630584  0.18366987  0.38950207
   0.43478620  0.11904507  0.46821048
   0.68490793  0.06832643  0.55884140
   0.88792705  0.25653710  0.84422155
   0.60976717  0.32947146  0.53267664
   0.83160259  0.51395011  0.84104030
   1.02923467  0.49276593  0.57440203
   0.73436788  0.37175330  0.70673895
   0.80273301  0.08983293  0.98413196
   0.54342278  0.09840580  0.91475164
   0.55995859  0.55039227  0.04815861
   0.90044627  0.72650243  0.28298081
   0.53681527  0.81443533  0.03452479
   0.81974982  0.96895713  0.32913899
   0.91813583  0.88024352  0.15338828
   0.65581643  0.82410154  0.20251203
   0.85131589  0.68931201  0.46092770
   0.62015789  0.61346713  0.38674611
   0.66608149  0.58061837  0.57402118
   0.84790358  0.76417353  0.81805052
   0.62137404  0.84292657  0.47305536
   0.94738936  0.98920944  0.84334557
   0.99741303  0.85758702  0.68921301
   0.75351663  0.97850089  0.70197008
   0.76213246  0.67447804  0.98733307
   0.52895748  0.67489529  0.86951208
   0.75254390  0.79255824  0.61023663
   0.37372732  0.72981361  0.48707254
   0.90284492  0.18640694  0.07585245
   0.90560613  0.40179770  0.39582408
   0.46953823  0.09980726  0.63067026
   0.26623884  0.92144707  0.92022484
   0.15575128  1.10042320  0.21750493
   0.32550765  1.13292232  0.03815294
   0.63723444  0.33495389  0.86546753
   0.70051289  0.65552333  0.62232147
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.617649    0.207689   -0.133336
    -0.000000    9.823947    0.017148
    -0.000000    0.000000   14.081045
   Si   O    H 
    32    64    10
Direct configuration=  3040
   0.22030997  0.21432307 -0.02226251
   0.34930163  0.09778887  0.37225005
   0.16210571  0.43730867  0.11856563
   0.41543363  0.35269499  0.25373727
   0.07380024  0.12368327  0.48275317
   0.42486378  0.13941554  0.83641194
   0.13068838  0.37397872  0.60726564
   0.37081242  0.37956287  0.73579587
   0.14962830  0.68861916  0.00151331
   0.45168434  0.58401742  0.36202274
   0.08262193  0.90684112  0.13932855
   0.33004578  0.83995840  0.25886429
   0.15636984  0.59836113  0.50647236
   0.36238487  0.63725461  0.84140554
   0.10657517  0.88395150  0.60808097
   0.39882579  0.98890716  0.66814274
   0.63850883  0.12401238  1.00204575
   0.82300289  0.14585799  0.34119072
   0.62307014  0.41196994  0.09192584
   0.89322282  0.30004039  0.14436485
   0.59558157  0.17710837  0.48653276
   0.93006803  0.11670343  0.90946926
   0.62472348  0.42695542  0.62168601
   0.76691526  0.36608439  0.82403233
   0.58723327  0.67960050 -0.02120434
   0.93909643  0.63199678  0.37114378
   0.55183920  0.90354012  0.12779651
   0.81620312  0.85602366  0.24068633
   0.69120243  0.69375046  0.47761663
   0.86775936  0.64494710  0.89683622
   0.67069527  0.91073585  0.59622042
   0.87875599  0.89862535  0.76614404
   0.10916532  0.07561226  0.15213977
   0.39806063  0.19016131  0.28195037
   0.18346673  0.36037320  0.01868929
   0.40507320  0.43139703  0.35172970
   0.54977513  0.38248963  0.19585524
   0.29342192  0.39500553  0.18852018
   0.18889241  0.13086071  0.39728277
  -0.06685580  0.19058021  0.42161363
   0.02577939 -0.04603967  0.51232144
   0.48299068  0.25263643  0.75990531
   0.09537982  0.21171920  0.57897052
   0.36637556  0.46986442  0.82877447
   0.46564797  0.46417532  0.66273643
   0.22105736  0.33212184  0.70251862
   0.27434524  0.21482465 -0.13073951
   0.06782829  0.14791765  0.97102944
   0.17202086  0.59872314  0.09421786
   0.39652139  0.68133203  0.26506661
   0.12525124  0.84456583  0.03867744
   0.35997555  0.93450197  0.35429391
   0.40077607  0.91492674  0.17088820
   0.16212238  0.84475222  0.23698895
   0.34378480  0.65217609  0.45035718
   0.09906705  0.62989207  0.40321007
   0.23883130  0.45067566  0.53689135
   0.28842720  0.70321438  0.74847395
   0.16526817  0.74054869  0.56601390
   0.38662217  0.99062329  0.78736558
   0.50842405  0.86247138  0.62829812
   0.24370411  0.97895266  0.62093789
   0.29348817  0.66543588 -0.05443368
   0.03177731  0.65041933  0.93122916
   0.60432110  0.05777350  0.10352530
   0.81906756  0.22207778  0.23554522
   0.62146343  0.28086110  0.02220036
   0.89359637  0.46906722  0.34880815
   0.01825538  0.39353596  0.17243644
   0.78119015  0.42150865  0.11481421
   0.67704478  0.18389151  0.38847247
   0.43492907  0.12012095  0.46814097
   0.68425279  0.06862427  0.55783563
   0.88790914  0.25821790  0.84453543
   0.60942535  0.32907709  0.53235926
   0.83143957  0.51647630  0.84009785
   1.02922291  0.49281484  0.57465206
   0.73412304  0.37114632  0.70628451
   0.80193059  0.09265261  0.98389196
   0.54483897  0.09660724  0.91596344
   0.55864186  0.54951621  0.04738983
   0.90260500  0.72693905  0.28397341
   0.53967194  0.81449942  0.03472977
   0.81972712  0.96941922  0.32951452
   0.91837247  0.88147601  0.15271223
   0.65553663  0.82467478  0.20207045
   0.85200659  0.68845479  0.45984981
   0.62082276  0.61247311  0.38626182
   0.66413088  0.58204335  0.57456871
   0.84742441  0.76393779  0.81878430
   0.62042660  0.84305386  0.47469040
   0.94770225  0.98978364  0.84224309
   0.99859956  0.85880653  0.69011799
   0.75455727  0.97787663  0.70185310
   0.76361799  0.67597375  0.98732072
   0.52812161  0.67564813  0.86848604
   0.75297860  0.78432602  0.60958593
   0.37611143  0.71854014  0.49232367
   0.90822217  0.19481772  0.07451326
   0.90239242  0.39688639  0.40070439
   0.46956961  0.10257229  0.63677462
   0.26227093  0.92862617  0.92218465
   0.15398821  1.10211723  0.21837980
   0.32694538  1.12789349  0.03819189
   0.63675246  0.33257418  0.87116816
   0.70084152  0.66062730  0.61630798
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.617406    0.210777   -0.132289
    -0.000000    9.824808    0.017610
    -0.000000    0.000000   14.082910
   Si   O    H 
    32    64    10
Direct configuration=  3041
   0.22030462  0.21321589 -0.02178461
   0.34951306  0.09784657  0.37239705
   0.16342029  0.43711130  0.11872885
   0.41515314  0.35317906  0.25420513
   0.07309121  0.12382326  0.48221279
   0.42369521  0.13968808  0.83538479
   0.13193823  0.37504919  0.60667654
   0.37144914  0.37788768  0.73527007
   0.14996485  0.68936511  0.00101744
   0.45160908  0.58498282  0.36080612
   0.08317212  0.90754693  0.13938340
   0.33031119  0.84028916  0.25905006
   0.15409302  0.59608521  0.50700388
   0.36136643  0.63839071  0.84108262
   0.10606905  0.88340360  0.60823571
   0.39948015  0.98889361  0.66884095
   0.63862101  0.12315356  1.00115709
   0.82186236  0.14494355  0.34112808
   0.62103568  0.41190854  0.09250410
   0.89394160  0.29987496  0.14469630
   0.59627815  0.17611064  0.48681797
   0.93005896  0.11746031  0.90942723
   0.62376414  0.42705486  0.62214971
   0.76738742  0.36542451  0.82362004
   0.58829361  0.67962816 -0.02106757
   0.93803230  0.63248664  0.37076294
   0.55182451  0.90189659  0.12772339
   0.81659342  0.85715749  0.24047244
   0.69121018  0.69311268  0.47725360
   0.86565434  0.64504563  0.89790787
   0.67225317  0.91051669  0.59641104
   0.87819861  0.89861936  0.76592461
   0.10979755  0.07733530  0.15188164
   0.39582978  0.18893484  0.28249482
   0.18496106  0.36167122  0.01876061
   0.40380103  0.43027357  0.35148595
   0.55198841  0.38150230  0.19465906
   0.29297306  0.39389389  0.18776005
   0.18790888  0.12938517  0.39866923
  -0.06751688  0.18905963  0.42080350
   0.02397805 -0.04601889  0.51125147
   0.48185786  0.25194688  0.76040920
   0.09613632  0.21088581  0.58046247
   0.36594862  0.47324752  0.82955151
   0.46797543  0.46462358  0.66371296
   0.22203682  0.33181513  0.70362152
   0.27325495  0.21455805 -0.12993667
   0.06714563  0.14629673  0.97026694
   0.17296026  0.59686810  0.09424271
   0.39761034  0.68113256  0.26414202
   0.12476444  0.84312737  0.03845353
   0.35891473  0.93579064  0.35403482
   0.40012354  0.91362109  0.16878127
   0.16106294  0.84448276  0.23722578
   0.34453189  0.64933854  0.45055228
   0.09918289  0.63014235  0.40296986
   0.24138318  0.44941623  0.53741847
   0.29004603  0.70587397  0.74820172
   0.16633678  0.74124366  0.56669498
   0.38809240  0.99148878  0.78712572
   0.50825861  0.86252531  0.62904913
   0.24494564  0.97728503  0.62218467
   0.29220714  0.66522593 -0.05505236
   0.03056334  0.65056604  0.93050615
   0.60343204  0.05765306  0.10232365
   0.81820327  0.22149401  0.23532139
   0.62042406  0.28047149  0.02242210
   0.89475607  0.47096913  0.35031030
   0.01883402  0.39601590  0.17238273
   0.77993208  0.42166100  0.11507686
   0.67738438  0.18388219  0.38757555
   0.43516536  0.12137388  0.46857590
   0.68281095  0.06910192  0.55724711
   0.88833573  0.25908366  0.84498619
   0.60903200  0.32915549  0.53238700
   0.83098037  0.51788091  0.83927568
   1.02795631  0.49362736  0.57539775
   0.73307723  0.37056691  0.70554854
   0.80177408  0.09499130  0.98380793
   0.54557439  0.09473797  0.91654935
   0.55687229  0.54807722  0.04691188
   0.90432560  0.72752899  0.28439739
   0.54273823  0.81416090  0.03513087
   0.81932905  0.97107898  0.32913153
   0.91804479  0.88302952  0.15194351
   0.65550928  0.82501703  0.20145330
   0.85196354  0.68797900  0.45872853
   0.62015003  0.61122408  0.38581239
   0.66204525  0.58339376  0.57492037
   0.84666906  0.76351058  0.81958911
   0.61998595  0.84401971  0.47641597
   0.94903526  0.99073065  0.84200697
   0.99959425  0.85904169  0.69137796
   0.75534304  0.97744803  0.70169362
   0.76522349  0.67697541  0.98684663
   0.52679405  0.67589016  0.86791046
   0.75784177  0.77677976  0.60988399
   0.38270770  0.71471038  0.50202848
   0.91785591  0.20457337  0.07608505
   0.89677058  0.39759036  0.40168942
   0.47103290  0.11060421  0.64145353
   0.25701845  0.93524747  0.92377600
   0.14996518  1.10349236  0.21368725
   0.32643392  1.12472418  0.03907139
   0.64019356  0.33014060  0.87542790
   0.69626361  0.66598668  0.61381779
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.616724    0.213572   -0.131150
    -0.000000    9.825934    0.018434
    -0.000000    0.000000   14.084443
   Si   O    H 
    32    64    10
Direct configuration=  3042
   0.22037932  0.21147697 -0.02088843
   0.34988072  0.09689085  0.37266674
   0.16414429  0.43672845  0.11860066
   0.41528726  0.35250852  0.25483913
   0.07248530  0.12407528  0.48195731
   0.42246447  0.13955760  0.83435561
   0.13348508  0.37516740  0.60596290
   0.37278478  0.37682641  0.73493457
   0.14974150  0.68991511  0.00085964
   0.45241153  0.58617487  0.36023322
   0.08376232  0.90854380  0.13916140
   0.32938731  0.84038594  0.25933656
   0.15205887  0.59460137  0.50749692
   0.36059014  0.63857864  0.84084716
   0.10554569  0.88313532  0.60805135
   0.40022315  0.98820935  0.66959691
   0.63878671  0.12131467  1.00097026
   0.82081183  0.14318479  0.34093936
   0.61892441  0.41219898  0.09318992
   0.89453130  0.30065911  0.14550487
   0.59665631  0.17526521  0.48727218
   0.92991360  0.11854082  0.90949625
   0.62263023  0.42647445  0.62276891
   0.76697979  0.36529101  0.82310847
   0.58945288  0.67999444 -0.02105458
   0.93691866  0.63284120  0.37017005
   0.55259926  0.90078599  0.12771624
   0.81676409  0.85846965  0.24010316
   0.69178455  0.69289484  0.47648370
   0.86398197  0.64555213  0.89869643
   0.67386905  0.91041667  0.59653783
   0.87792420  0.89886216  0.76531702
   0.11016815  0.07865049  0.15148904
   0.39443195  0.18675676  0.28329155
   0.18594299  0.36328733  0.01830581
   0.40250387  0.43056606  0.35174783
   0.55413798  0.38162775  0.19393303
   0.29123237  0.39298807  0.18721406
   0.18623209  0.12830698  0.39983916
  -0.06756341  0.18743962  0.41990247
   0.02253685 -0.04469710  0.51070801
   0.48155385  0.25074960  0.76094891
   0.09631660  0.21101285  0.58130829
   0.36585353  0.47653567  0.82980956
   0.46970690  0.46460697  0.66465485
   0.22278536  0.33171924  0.70466197
   0.27286964  0.21430344 -0.12916728
   0.06705230  0.14410516  0.96923645
   0.17380470  0.59476231  0.09397671
   0.39934496  0.68136893  0.26355320
   0.12407648  0.84181046  0.03767149
   0.35811161  0.93665656  0.35417807
   0.39892693  0.91203086  0.16698123
   0.15983441  0.84358245  0.23725674
   0.34511193  0.64685879  0.45099008
   0.09906252  0.63078003  0.40272320
   0.24400024  0.44823146  0.53765076
   0.29101233  0.70882691  0.74764432
   0.16736040  0.74150262  0.56655166
   0.38879231  0.99330948  0.78683677
   0.50892291  0.86231967  0.63020245
   0.24699716  0.97579481  0.62320732
   0.29061941  0.66588742 -0.05604609
   0.02836228  0.65062298  0.92978716
   0.60226023  0.05617889  0.10146078
   0.81824854  0.22003103  0.23575371
   0.61926221  0.28038114  0.02238947
   0.89565894  0.47265233  0.35148029
   0.02026963  0.39810123  0.17245851
   0.77923347  0.42181818  0.11517055
   0.67742885  0.18394293  0.38684355
   0.43610517  0.12215350  0.46924252
   0.68203868  0.06916583  0.55657269
   0.88978913  0.25841828  0.84496945
   0.60822947  0.32914113  0.53233137
   0.83074256  0.51901709  0.83835108
   1.02598019  0.49584381  0.57614202
   0.73222241  0.36967699  0.70486169
   0.80150344  0.09697904  0.98326323
   0.54539727  0.09233924  0.91621485
   0.55515511  0.54681508  0.04633921
   0.90628003  0.72789351  0.28379716
   0.54462616  0.81433806  0.03548995
   0.81896388  0.97308631  0.32875935
   0.91744052  0.88409794  0.15096285
   0.65621411  0.82461733  0.20141396
   0.85186061  0.68719869  0.45754669
   0.61903944  0.61008689  0.38577632
   0.65977072  0.58432605  0.57537025
   0.84531660  0.76318185  0.82045151
   0.62006788  0.84512930  0.47824694
   0.95070529  0.99177329  0.84173622
   1.00117006  0.85893288  0.69271002
   0.75611612  0.97641623  0.70174099
   0.76729196  0.67794345  0.98575237
   0.52618829  0.67583356  0.86755059
   0.76682780  0.76951858  0.61071614
   0.38794324  0.70849391  0.50568425
   0.92593858  0.20943026  0.07453192
   0.89028089  0.40737028  0.39889381
   0.47156318  0.12128908  0.64659094
   0.25072703  0.94586109  0.92507407
   0.14702313  1.10421692  0.20941406
   0.32224818  1.12890799  0.03957392
   0.64301166  0.33082944  0.87619934
   0.69422542  0.67082800  0.61503538
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.615884    0.216409   -0.130560
    -0.000000    9.826879    0.019623
    -0.000000    0.000000   14.085949
   Si   O    H 
    32    64    10
Direct configuration=  3043
   0.22069484  0.20961814 -0.02022055
   0.35037554  0.09719542  0.37305277
   0.16445656  0.43632272  0.11814806
   0.41478607  0.35144134  0.25562316
   0.07136900  0.12396121  0.48120231
   0.42177088  0.13944884  0.83392027
   0.13418665  0.37462371  0.60520988
   0.37438343  0.37689938  0.73459687
   0.14948318  0.68949932  0.00103153
   0.45352761  0.58794545  0.35954529
   0.08404541  0.90943927  0.13932824
   0.32863965  0.83992388  0.25984334
   0.15071058  0.59344995  0.50866407
   0.35951714  0.63873441  0.84042062
   0.10540236  0.88325068  0.60771984
   0.40081838  0.98777476  0.66995286
   0.63951214  0.11997501  1.00066203
   0.81964436  0.14180755  0.34048853
   0.61684881  0.41250575  0.09375951
   0.89492764  0.30153451  0.14650905
   0.59756849  0.17464057  0.48764695
   0.92950487  0.11970294  0.90944135
   0.62148322  0.42595274  0.62323265
   0.76669977  0.36479928  0.82185570
   0.59066470  0.68011346 -0.02119463
   0.93693811  0.63255136  0.36970914
   0.55328539  0.90011347  0.12768642
   0.81676548  0.85990342  0.23995641
   0.69176908  0.69214543  0.47555284
   0.86239174  0.64653978  0.89937263
   0.67559765  0.91020043  0.59656424
   0.87777584  0.89983183  0.76452364
   0.10937778  0.07946805  0.15060377
   0.39234479  0.18507125  0.28361447
   0.18728265  0.36441037  0.01760611
   0.40057101  0.43093091  0.35157788
   0.55564781  0.38181695  0.19369808
   0.28902305  0.39161220  0.18647685
   0.18480186  0.12769307  0.40091242
  -0.06640337  0.18609855  0.41880289
   0.02197885 -0.04227365  0.51007046
   0.48131130  0.24907819  0.76130171
   0.09665381  0.21042667  0.58154878
   0.36569947  0.47925946  0.82968395
   0.47127846  0.46467335  0.66516982
   0.22371077  0.33253440  0.70544056
   0.27283958  0.21448971 -0.12885370
   0.06675472  0.14185516  0.96793070
   0.17354697  0.59264083  0.09409762
   0.40077067  0.68199198  0.26338528
   0.12281298  0.84113495  0.03695610
   0.35699344  0.93779818  0.35424259
   0.39734323  0.91080582  0.16555713
   0.15915689  0.84238222  0.23715036
   0.34585761  0.64504279  0.45120711
   0.09840747  0.63116427  0.40225130
   0.24753885  0.44673803  0.53781426
   0.29195081  0.71177583  0.74669058
   0.16863979  0.74121983  0.56582667
   0.38903723  0.99498162  0.78694017
   0.50852547  0.86279174  0.63133803
   0.24818169  0.97413231  0.62445723
   0.28792736  0.66624569 -0.05695974
   0.02648477  0.65052671  0.92959228
   0.60130833  0.05396996  0.10134128
   0.81918858  0.21835227  0.23593138
   0.61843787  0.28085493  0.02268661
   0.89629192  0.47523330  0.35219966
   0.02210882  0.40010382  0.17211255
   0.77858246  0.42152852  0.11478370
   0.67723549  0.18383326  0.38677799
   0.43711186  0.12259793  0.46908305
   0.68095639  0.06942772  0.55592985
   0.89188151  0.25740537  0.84479746
   0.60741045  0.32834036  0.53181987
   0.82974886  0.51960642  0.83709040
   1.02438315  0.49864539  0.57677798
   0.73141870  0.36841299  0.70424732
   0.80119789  0.09887008  0.98222255
   0.54514756  0.08996201  0.91565178
   0.55251913  0.54611022  0.04573600
   0.90742762  0.72821611  0.28264520
   0.54672535  0.81420523  0.03521351
   0.81822212  0.97482656  0.32825648
   0.91705771  0.88511474  0.14964733
   0.65712132  0.82470862  0.20189829
   0.85257882  0.68679575  0.45662038
   0.61778320  0.60947258  0.38617139
   0.65770814  0.58590252  0.57574039
   0.84423008  0.76312589  0.82050179
   0.62032056  0.84621162  0.48012648
   0.95205651  0.99271827  0.84150665
   1.00266483  0.85893499  0.69324148
   0.75725222  0.97615019  0.70145163
   0.76866563  0.67860357  0.98460608
   0.52653443  0.67539562  0.86746893
   0.77367034  0.76642763  0.61011479
   0.38503943  0.70093400  0.50370841
   0.93503202  0.21078627  0.07280354
   0.88544191  0.41052194  0.40082401
   0.46993255  0.12746649  0.64907218
   0.24566758  0.95915989  0.92356372
   0.15169649  1.11009713  0.21248189
   0.31509553  1.13598866  0.03978056
   0.64342715  0.33177550  0.87622739
   0.69391947  0.66790838  0.61829397
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.615054    0.219149   -0.130029
    -0.000000    9.828203    0.020500
    -0.000000    0.000000   14.087416
   Si   O    H 
    32    64    10
Direct configuration=  3044
   0.22045518  0.20822062 -0.01976349
   0.35082331  0.09762637  0.37342699
   0.16457900  0.43646576  0.11762761
   0.41377136  0.34968914  0.25598440
   0.07038634  0.12335859  0.48060010
   0.42095376  0.13934258  0.83377699
   0.13541406  0.37441763  0.60482261
   0.37578250  0.37729808  0.73463264
   0.14892935  0.68890651  0.00104155
   0.45480096  0.58981956  0.35925408
   0.08383165  0.90981872  0.13938035
   0.32782862  0.83991309  0.26061798
   0.15034755  0.59250929  0.50990384
   0.35921205  0.63892502  0.84026644
   0.10540661  0.88270035  0.60732790
   0.40157001  0.98746657  0.67015247
   0.64099937  0.11914171  1.00108701
   0.81874589  0.14001370  0.33992536
   0.61550468  0.41306955  0.09434911
   0.89508099  0.30199978  0.14709208
   0.59859995  0.17385538  0.48806691
   0.92882778  0.12119775  0.90927028
   0.62039610  0.42550320  0.62346274
   0.76596496  0.36451114  0.82035596
   0.59163550  0.68026527 -0.02124921
   0.93730266  0.63249798  0.36942860
   0.55354299  0.90024240  0.12791578
   0.81689816  0.86085070  0.24008043
   0.69117701  0.69186549  0.47505101
   0.86120134  0.64816076  0.90011363
   0.67676318  0.90990413  0.59658161
   0.87750025  0.90019849  0.76352357
   0.10920174  0.08017212  0.15056593
   0.39114754  0.18351529  0.28394975
   0.18766358  0.36572202  0.01693145
   0.39880776  0.43142502  0.35223184
   0.55539756  0.38203069  0.19461835
   0.28713000  0.39100527  0.18636315
   0.18393852  0.12872398  0.40182633
  -0.06566473  0.18515324  0.41834929
   0.02222768 -0.03959730  0.50924665
   0.48123724  0.24768674  0.76179146
   0.09670828  0.21085616  0.58118517
   0.36475990  0.48112348  0.82933112
   0.47302312  0.46452835  0.66554842
   0.22396375  0.33342204  0.70559257
   0.27327238  0.21467781 -0.12854841
   0.06666289  0.13968103  0.96729985
   0.17292704  0.59068535  0.09476270
   0.40245677  0.68322391  0.26382863
   0.12139309  0.84117747  0.03680825
   0.35622959  0.93850539  0.35403154
   0.39532838  0.90950180  0.16420133
   0.15984419  0.84096421  0.23722203
   0.34770464  0.64383185  0.45158830
   0.09826778  0.63309593  0.40228885
   0.25103720  0.44496641  0.53775288
   0.29333307  0.71451153  0.74614156
   0.16946527  0.74039146  0.56439855
   0.38822482  0.99659260  0.78654514
   0.50870693  0.86369751  0.63251332
   0.24936696  0.97282502  0.62547016
   0.28503986  0.66723254 -0.05711241
   0.02352161  0.65075536  0.92949113
   0.59975435  0.05076714  0.10152065
   0.82003372  0.21672413  0.23628137
   0.61780018  0.28181941  0.02288774
   0.89708755  0.47793979  0.35237009
   0.02435209  0.40186702  0.17165683
   0.77846044  0.42110909  0.11458694
   0.67609566  0.18473120  0.38677154
   0.43886756  0.12363522  0.46916569
   0.68005222  0.06921482  0.55547915
   0.89384725  0.25574116  0.84522586
   0.60668875  0.32757484  0.53175586
   0.82909430  0.51890736  0.83585009
   1.02267796  0.50065199  0.57721960
   0.73098580  0.36705566  0.70379880
   0.80028677  0.10008305  0.98119805
   0.54395220  0.08740397  0.91391071
   0.54955615  0.54517062  0.04467431
   0.90823764  0.72904981  0.28149489
   0.54783344  0.81376438  0.03522272
   0.81699581  0.97624021  0.32749325
   0.91634125  0.88617405  0.14823903
   0.65705878  0.82505828  0.20242800
   0.85340293  0.68734007  0.45599490
   0.61656526  0.60855640  0.38657051
   0.65535219  0.58774132  0.57548097
   0.84229052  0.76345588  0.81985467
   0.62062103  0.84696252  0.48225795
   0.95338890  0.99424750  0.84114675
   1.00526190  0.85885233  0.69376452
   0.75911062  0.97599980  0.70087221
   0.76974041  0.67997008  0.98350038
   0.52743651  0.67493554  0.86773831
   0.77366200  0.76681903  0.61094849
   0.38117781  0.69390913  0.49950298
   0.94288271  0.21011642  0.07235880
   0.88366281  0.40922021  0.40549056
   0.46737874  0.12980781  0.65078939
   0.24073187  0.97179406  0.92109155
   0.15310833  1.11319789  0.21181188
   0.30986484  1.13941225  0.04519448
   0.64114389  0.33275078  0.87635205
   0.69109226  0.66386046  0.62354996
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.614422    0.221673   -0.129082
    -0.000000    9.829191    0.021203
    -0.000000    0.000000   14.088778
   Si   O    H 
    32    64    10
Direct configuration=  3045
   0.21964518  0.20741720 -0.01972674
   0.35092355  0.09810093  0.37368868
   0.16437316  0.43649199  0.11722278
   0.41300106  0.34758858  0.25597913
   0.06960095  0.12291262  0.48032468
   0.42060089  0.13981557  0.83432477
   0.13692974  0.37446354  0.60440335
   0.37712430  0.37736694  0.73473709
   0.14779191  0.68800637  0.00084675
   0.45502281  0.59111250  0.35925071
   0.08400074  0.91072009  0.13949611
   0.32752055  0.83996971  0.26164309
   0.15010984  0.59199870  0.51122090
   0.35841006  0.63964549  0.83974808
   0.10527916  0.88206832  0.60698135
   0.40288946  0.98731550  0.67022272
   0.64189713  0.11893285  1.00182156
   0.81816238  0.13832693  0.33961843
   0.61439194  0.41449248  0.09483408
   0.89491189  0.30299492  0.14787933
   0.59919277  0.17271851  0.48810914
   0.92762952  0.12307302  0.90924502
   0.61920489  0.42536702  0.62375699
   0.76491494  0.36393664  0.81887308
   0.59228303  0.67951105 -0.02169067
   0.93721421  0.63238912  0.36879481
   0.55370702  0.90044542  0.12864578
   0.81683752  0.86149663  0.24057277
   0.69005043  0.69215159  0.47476659
   0.86075190  0.64944850  0.90042497
   0.67729058  0.90965668  0.59635781
   0.87744801  0.90055975  0.76288295
   0.10864813  0.08070505  0.15115664
   0.39039604  0.18273837  0.28374665
   0.18984092  0.36695314  0.01631809
   0.39749414  0.43265359  0.35208766
   0.55359553  0.38194107  0.19616451
   0.28611111  0.39006613  0.18656481
   0.18383723  0.12984923  0.40198706
  -0.06581114  0.18452045  0.41837002
   0.02352560 -0.03623075  0.50834450
   0.48153660  0.24595452  0.76203076
   0.09639904  0.21178279  0.58048186
   0.36374338  0.48192040  0.82872516
   0.47445354  0.46379184  0.66606687
   0.22425213  0.33386168  0.70615120
   0.27378559  0.21492267 -0.12869250
   0.06712793  0.13832765  0.96632832
   0.17220112  0.58990556  0.09502816
   0.40312006  0.68545929  0.26492793
   0.11992259  0.84114832  0.03673663
   0.35596563  0.93794496  0.35336129
   0.39354345  0.90897027  0.16291618
   0.16068228  0.84017062  0.23705541
   0.34974607  0.64228507  0.45140494
   0.09869739  0.63491970  0.40205719
   0.25352821  0.44401230  0.53747926
   0.29498919  0.71569589  0.74588188
   0.17050182  0.73966654  0.56287742
   0.38800429  0.99720458  0.78661632
   0.50856911  0.86413842  0.63374903
   0.24973310  0.97194962  0.62658301
   0.28334860  0.66761329 -0.05766644
   0.02137453  0.65094704  0.92909759
   0.59799863  0.04770432  0.10139483
   0.82116156  0.21601175  0.23656119
   0.61714487  0.28288076  0.02324779
   0.89744968  0.47875607  0.35246997
   0.02703070  0.40362111  0.17178737
   0.77932035  0.42050690  0.11429764
   0.67413529  0.18560216  0.38677158
   0.44188476  0.12546263  0.46906867
   0.67953150  0.06843045  0.55520900
   0.89535837  0.25450073  0.84528049
   0.60672969  0.32614841  0.53185560
   0.82860882  0.51728195  0.83532136
   1.02073481  0.50249597  0.57764432
   0.73096077  0.36637853  0.70318319
   0.79987104  0.10172349  0.98043586
   0.54236942  0.08560737  0.91163148
   0.54697058  0.54453059  0.04307558
   0.90898457  0.72952261  0.28058174
   0.54847708  0.81338034  0.03474841
   0.81585325  0.97768325  0.32690608
   0.91527872  0.88718965  0.14649495
   0.65699964  0.82499823  0.20196432
   0.85471920  0.68739786  0.45580608
   0.61490187  0.60707026  0.38674925
   0.65347581  0.58968753  0.57533935
   0.84062761  0.76335125  0.81893904
   0.62071587  0.84697069  0.48438884
   0.95388905  0.99583960  0.84064125
   1.00783305  0.85889002  0.69429170
   0.76060544  0.97504186  0.70054595
   0.76906607  0.68136457  0.98294375
   0.52851860  0.67459387  0.86872840
   0.76976972  0.77412027  0.61280636
   0.38756858  0.69849636  0.50789618
   0.94895673  0.21206610  0.07393390
   0.87967134  0.41777520  0.40685170
   0.46665685  0.12447242  0.65138572
   0.23726461  0.98202987  0.92025546
   0.15195523  1.11323343  0.21093534
   0.31020465  1.13914131  0.05246671
   0.63728694  0.33304251  0.87365836
   0.68766914  0.65345713  0.62730946
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.613256    0.223811   -0.128432
    -0.000000    9.830472    0.021486
    -0.000000    0.000000   14.089977
   Si   O    H 
    32    64    10
Direct configuration=  3046
   0.21857020  0.20647569 -0.01999562
   0.35099486  0.09841945  0.37441355
   0.16400039  0.43680504  0.11677027
   0.41228396  0.34513447  0.25605867
   0.06841806  0.12237613  0.48080128
   0.42089801  0.13977292  0.83501779
   0.13890424  0.37371933  0.60414007
   0.37912617  0.37793499  0.73545599
   0.14655960  0.68701833  0.00110165
   0.45433942  0.59236773  0.35951417
   0.08416199  0.91148656  0.13975049
   0.32742261  0.83972945  0.26251980
   0.14990386  0.59124618  0.51239039
   0.35772580  0.64056570  0.83968158
   0.10549260  0.88164101  0.60642051
   0.40343535  0.98674797  0.66997647
   0.64217023  0.11991920  1.00254716
   0.81756431  0.13748112  0.33946696
   0.61397046  0.41580812  0.09512800
   0.89510249  0.30387262  0.14882434
   0.59954976  0.17161772  0.48800756
   0.92637801  0.12417075  0.90923196
   0.61784085  0.42515202  0.62422253
   0.76429440  0.36334684  0.81754505
   0.59258887  0.67918892 -0.02165166
   0.93709379  0.63163684  0.36786014
   0.55328709  0.90047923  0.12959684
   0.81708610  0.86190887  0.24056731
   0.68896044  0.69242915  0.47396373
   0.86081999  0.65110473  0.89996260
   0.67735888  0.90983446  0.59623304
   0.87747522  0.90084385  0.76240943
   0.10793164  0.08103813  0.15197381
   0.38973016  0.18288583  0.28365658
   0.19126095  0.36854923  0.01548113
   0.39759374  0.43354153  0.35222782
   0.55206970  0.38228964  0.19790054
   0.28574383  0.38970598  0.18699716
   0.18532784  0.13111953  0.40187674
  -0.06566642  0.18368377  0.41820758
   0.02439698 -0.03359666  0.50806880
   0.48173355  0.24451077  0.76254882
   0.09549523  0.21329956  0.57973609
   0.36261175  0.48190613  0.82755699
   0.47506513  0.46318348  0.66705611
   0.22475517  0.33496975  0.70639835
   0.27540239  0.21492490 -0.12818878
   0.06710145  0.13674886  0.96615133
   0.17108299  0.59024692  0.09581371
   0.40322813  0.68782120  0.26625775
   0.11924856  0.84091938  0.03687573
   0.35657380  0.93714814  0.35275601
   0.39272324  0.90859649  0.16247790
   0.16163866  0.83945958  0.23708454
   0.35243695  0.64125835  0.45167779
   0.09895430  0.63689199  0.40182038
   0.25574714  0.44297927  0.53728286
   0.29721325  0.71674829  0.74592527
   0.17076352  0.73873891  0.56201326
   0.38785753  0.99782269  0.78683674
   0.50841622  0.86440598  0.63497920
   0.24997964  0.97074362  0.62724222
   0.28174355  0.66766185 -0.05847437
   0.01944237  0.65195844  0.92902721
   0.59694959  0.04525301  0.10092574
   0.82268093  0.21541599  0.23629333
   0.61634725  0.28381433  0.02352032
   0.89742742  0.47855489  0.35292608
   0.02921080  0.40428647  0.17192971
   0.77976496  0.42042871  0.11410218
   0.67171898  0.18697410  0.38616656
   0.44463609  0.12751620  0.46899914
   0.67990387  0.06731674  0.55537363
   0.89628761  0.25327319  0.84536756
   0.60640254  0.32442761  0.53256471
   0.82772395  0.51555333  0.83494534
   1.01855023  0.50320101  0.57777576
   0.73141254  0.36577409  0.70269348
   0.79951663  0.10315830  0.97954088
   0.54092948  0.08385977  0.90982167
   0.54468466  0.54430833  0.04112758
   0.90939217  0.72917952  0.27964333
   0.54938510  0.81335299  0.03457964
   0.81436856  0.97850230  0.32589929
   0.91305590  0.88874016  0.14515445
   0.65673459  0.82540242  0.20181517
   0.85473317  0.68749931  0.45681053
   0.61327289  0.60566238  0.38709804
   0.65226136  0.59111684  0.57520307
   0.83840391  0.76391705  0.81844707
   0.62127682  0.84720617  0.48580629
   0.95375396  0.99663464  0.83960100
   1.00961584  0.85892600  0.69479114
   0.76190745  0.97333597  0.70092344
   0.76675979  0.68234372  0.98279650
   0.52939903  0.67498485  0.87001128
   0.76567540  0.78518513  0.61340376
   0.39389455  0.69981466  0.50951695
   0.95227622  0.21211816  0.07593818
   0.87417334  0.43168364  0.40427224
   0.46511489  0.11105320  0.64786681
   0.23514290  0.98659438  0.92055649
   0.14991969  1.10798706  0.20742051
   0.31314507  1.14150433  0.05881522
   0.63614960  0.33701467  0.86948925
   0.68325172  0.63922398  0.63222749
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.612122    0.225965   -0.127860
    -0.000000    9.831753    0.021810
    -0.000000    0.000000   14.090645
   Si   O    H 
    32    64    10
Direct configuration=  3047
   0.21728736  0.20587098 -0.01966486
   0.35103180  0.09892867  0.37528127
   0.16382299  0.43598826  0.11651544
   0.41150625  0.34325587  0.25640753
   0.06723942  0.12256321  0.48103841
   0.42062931  0.13944879  0.83568035
   0.14123425  0.37261292  0.60451264
   0.38095425  0.37793116  0.73604593
   0.14584948  0.68548428  0.00138436
   0.45321781  0.59419442  0.35963699
   0.08468886  0.91217259  0.14028004
   0.32750988  0.83997589  0.26350188
   0.14986996  0.59067380  0.51315632
   0.35678958  0.64192467  0.83951955
   0.10612903  0.88155555  0.60587349
   0.40337916  0.98589235  0.67023330
   0.64203642  0.12139011  1.00249021
   0.81746452  0.13743298  0.33958086
   0.61386746  0.41723631  0.09531396
   0.89549269  0.30438533  0.15010417
   0.60080398  0.17024016  0.48796336
   0.92467016  0.12506405  0.90912675
   0.61767999  0.42502616  0.62479761
   0.76425241  0.36332089  0.81665947
   0.59276909  0.67884689 -0.02176350
   0.93714052  0.63124929  0.36718707
   0.55244074  0.90065926  0.12989301
   0.81783012  0.86209373  0.24043978
   0.68854842  0.69285729  0.47362469
   0.86109080  0.65271919  0.89936373
   0.67714728  0.91119298  0.59586872
   0.87797854  0.90084480  0.76198804
   0.10635850  0.08049502  0.15198950
   0.38995048  0.18320129  0.28313854
   0.19302241  0.36953216  0.01508350
   0.39823548  0.43434988  0.35282938
   0.54985475  0.38314035  0.20000284
   0.28527773  0.38884386  0.18758449
   0.18733925  0.13184642  0.40175603
  -0.06592511  0.18276237  0.41809079
   0.02555094 -0.03138436  0.50826877
   0.48181059  0.24400218  0.76317074
   0.09470017  0.21458710  0.57927191
   0.36156778  0.48104957  0.82588663
   0.47579089  0.46275953  0.66792782
   0.22519692  0.33561802  0.70648688
   0.27724496  0.21524724 -0.12734112
   0.06783021  0.13442519  0.96663075
   0.16994533  0.59183862  0.09672538
   0.40384518  0.68990868  0.26722304
   0.11798090  0.84057413  0.03754187
   0.35880004  0.93653949  0.35221751
   0.39110952  0.90864250  0.16250127
   0.16236151  0.83953262  0.23710279
   0.35514456  0.64129593  0.45178829
   0.09898889  0.63834104  0.40210807
   0.25749904  0.44216682  0.53756099
   0.29904352  0.71723631  0.74649364
   0.17017013  0.73728500  0.56123334
   0.38778357  0.99790259  0.78731202
   0.50842614  0.86430690  0.63659244
   0.24933111  0.96940755  0.62740114
   0.28133872  0.66866459 -0.05947262
   0.01842544  0.65248860  0.92927347
   0.59646101  0.04419081  0.10034988
   0.82510722  0.21452226  0.23628709
   0.61491400  0.28466538  0.02452534
   0.89818635  0.47895842  0.35206402
   0.03043352  0.40507402  0.17207004
   0.78023134  0.42028257  0.11350244
   0.66915314  0.18792837  0.38509048
   0.44663576  0.12903213  0.46826487
   0.68127211  0.06702930  0.55564242
   0.89738073  0.25307647  0.84465514
   0.60566284  0.32345897  0.53369822
   0.82724471  0.51338156  0.83457188
   1.01709290  0.50324436  0.57814588
   0.73100363  0.36534534  0.70242717
   0.79902899  0.10367158  0.97885279
   0.53890067  0.08187224  0.90879010
   0.54298261  0.54403641  0.03903276
   0.90882601  0.72970752  0.27896366
   0.55020457  0.81352396  0.03418559
   0.81257447  0.97847415  0.32506154
   0.91064971  0.88993690  0.14373900
   0.65748469  0.82502719  0.20197513
   0.85396237  0.68727762  0.45736377
   0.61249844  0.60460254  0.38778782
   0.65086554  0.59242846  0.57476313
   0.83535795  0.76532571  0.81785017
   0.62264563  0.84659373  0.48782309
   0.95340704  0.99819195  0.83851099
   1.01117947  0.85962733  0.69548988
   0.76309125  0.97198030  0.70124887
   0.76378208  0.68392182  0.98287587
   0.52975914  0.67584239  0.87112320
   0.76051952  0.79846196  0.61231618
   0.39375780  0.69463811  0.50374984
   0.95133500  0.21469836  0.07907069
   0.86218478  0.43545052  0.41591674
   0.46230717  0.10213646  0.64409990
   0.23765130  0.98985341  0.92319847
   0.15540749  1.10783977  0.21104446
   0.31694537  1.14464352  0.06168250
   0.63468221  0.33847634  0.86558103
   0.68272890  0.63141533  0.63740706
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.611504    0.228377   -0.127130
    -0.000000    9.833235    0.022270
    -0.000000    0.000000   14.091418
   Si   O    H 
    32    64    10
Direct configuration=  3048
   0.21672379  0.20485472 -0.01966754
   0.35047732  0.09886403  0.37638601
   0.16442794  0.43516481  0.11611610
   0.41025029  0.34193672  0.25677458
   0.06563238  0.12303570  0.48150550
   0.42020688  0.13855173  0.83669795
   0.14364318  0.37185674  0.60516406
   0.38278354  0.37847326  0.73685505
   0.14496705  0.68424565  0.00198786
   0.45137839  0.59562900  0.35990989
   0.08408352  0.91189953  0.14066833
   0.32844147  0.83966886  0.26456647
   0.14980754  0.58991683  0.51369694
   0.35572527  0.64301908  0.83896241
   0.10746282  0.88103859  0.60508563
   0.40335602  0.98441990  0.67064520
   0.64155692  0.12290005  1.00292037
   0.81710374  0.13796681  0.33919297
   0.61395204  0.41866237  0.09552132
   0.89606879  0.30525479  0.15121086
   0.60180099  0.16894323  0.48769003
   0.92319585  0.12555692  0.90901932
   0.61811197  0.42418542  0.62497347
   0.76386485  0.36276838  0.81554218
   0.59291866  0.67885417 -0.02226440
   0.93701967  0.63167482  0.36692260
   0.55125784  0.90051626  0.13006851
   0.81885006  0.86210209  0.24008787
   0.68795604  0.69341931  0.47339968
   0.86154402  0.65393182  0.89850857
   0.67596051  0.91272499  0.59558592
   0.87921767  0.90066583  0.76195317
   0.10515071  0.07964347  0.15204055
   0.39009293  0.18372235  0.28194508
   0.19482386  0.37025041  0.01464062
   0.39947425  0.43524439  0.35365319
   0.54740560  0.38404119  0.20180722
   0.28448920  0.38836863  0.18818443
   0.18925547  0.13296791  0.40139574
  -0.06589827  0.18213800  0.41795517
   0.02781132 -0.02951675  0.50923891
   0.48097530  0.24456027  0.76380438
   0.09466281  0.21559191  0.57844215
   0.35999098  0.47885292  0.82448514
   0.47706204  0.46330699  0.66793414
   0.22502976  0.33642553  0.70666469
   0.27905483  0.21653683 -0.12682411
   0.06774936  0.13211736  0.96760817
   0.16932582  0.59330589  0.09736315
   0.40486713  0.69132269  0.26918453
   0.11690037  0.83989090  0.03828257
   0.36149161  0.93638768  0.35118839
   0.39025886  0.90882632  0.16281996
   0.16396943  0.84030698  0.23738364
   0.35716741  0.64202081  0.45160709
   0.09881221  0.64012284  0.40219833
   0.25873366  0.44049161  0.53743901
   0.30080213  0.71778354  0.74730165
   0.16955809  0.73637266  0.56049813
   0.38773429  0.99719581  0.78759306
   0.50811660  0.86513160  0.63751943
   0.24894319  0.96862821  0.62723790
   0.28133780  0.66913420 -0.06009762
   0.01766860  0.65281735  0.92959165
   0.59678128  0.04408149  0.09974401
   0.82806132  0.21386466  0.23583518
   0.61347994  0.28507674  0.02523153
   0.89905134  0.47838257  0.35158057
   0.03129184  0.40529733  0.17170086
   0.78151711  0.42050442  0.11332955
   0.66705462  0.18957889  0.38388183
   0.44715472  0.12973502  0.46751232
   0.68309071  0.06578912  0.55592703
   0.89795316  0.25374777  0.84385571
   0.60497021  0.32284696  0.53528957
   0.82740015  0.51153859  0.83430774
   1.01674188  0.50203579  0.57857745
   0.73150039  0.36477746  0.70148242
   0.79855024  0.10413985  0.97781608
   0.53738924  0.08089290  0.90811631
   0.54144931  0.54437124  0.03690350
   0.90825189  0.72941429  0.27756028
   0.55045269  0.81345899  0.03377378
   0.81034261  0.97759189  0.32364291
   0.90857030  0.89113794  0.14248171
   0.65833879  0.82469016  0.20268463
   0.85238751  0.68786499  0.45845187
   0.61223979  0.60312014  0.38861701
   0.64897923  0.59349657  0.57434209
   0.83281757  0.76707642  0.81765380
   0.62331956  0.84598594  0.48970355
   0.95360683  0.99902558  0.83670348
   1.01238663  0.85981132  0.69622601
   0.76357064  0.97086254  0.70114683
   0.76038282  0.68521674  0.98273140
   0.52989045  0.67734913  0.87271817
   0.76590512  0.80249385  0.61332443
   0.39079039  0.68921234  0.49806270
   0.94970225  0.21593892  0.08096717
   0.85672621  0.44192173  0.41936606
   0.46204337  0.10344044  0.63757361
   0.23914284  0.98942606  0.92886792
   0.16099318  1.10361420  0.21408973
   0.31738866  1.15218625  0.06120518
   0.63171719  0.33861227  0.86067675
   0.68242066  0.62714102  0.64217181
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.610720    0.230819   -0.127115
    -0.000000    9.834662    0.022947
    -0.000000    0.000000   14.091781
   Si   O    H 
    32    64    10
Direct configuration=  3049
   0.21664838  0.20394706 -0.01960107
   0.34988828  0.09864172  0.37758291
   0.16463911  0.43333889  0.11554608
   0.40846303  0.34086354  0.25696645
   0.06439359  0.12336273  0.48214353
   0.41989171  0.13716349  0.83771671
   0.14524642  0.37094060  0.60595462
   0.38450412  0.37847501  0.73806161
   0.14424521  0.68301417  0.00249380
   0.44899936  0.59694750  0.36011231
   0.08318878  0.91221016  0.14130657
   0.32914662  0.83955986  0.26557991
   0.14964374  0.58944968  0.51397899
   0.35512909  0.64364492  0.83820798
   0.10861163  0.87982864  0.60429663
   0.40317709  0.98284160  0.67148326
   0.63992736  0.12456918  1.00310871
   0.81680203  0.13848415  0.33853102
   0.61449615  0.41979159  0.09548740
   0.89601901  0.30626499  0.15215686
   0.60308480  0.16819181  0.48758957
   0.92223186  0.12531416  0.90912413
   0.61834648  0.42322394  0.62460809
   0.76351008  0.36225350  0.81442317
   0.59306594  0.67927389 -0.02261831
   0.93682674  0.63188006  0.36678348
   0.54979744  0.89958412  0.12998659
   0.81951073  0.86237712  0.23975907
   0.68749688  0.69402195  0.47307053
   0.86178507  0.65472246  0.89751795
   0.67445263  0.91390171  0.59563615
   0.88089331  0.90045313  0.76157728
   0.10466585  0.07866839  0.15265676
   0.38985887  0.18383117  0.28070948
   0.19681709  0.37149273  0.01416080
   0.40005429  0.43647472  0.35429880
   0.54602919  0.38535589  0.20283321
   0.28434803  0.38837567  0.18843318
   0.19133408  0.13418512  0.40122850
  -0.06545468  0.18084667  0.41775515
   0.03051154 -0.02737641  0.51096000
   0.48102253  0.24499413  0.76427853
   0.09448553  0.21653683  0.57763268
   0.35870382  0.47691801  0.82302318
   0.47739270  0.46448036  0.66755019
   0.22433873  0.33756905  0.70694650
   0.28119401  0.21793054 -0.12586640
   0.06717284  0.13004485  0.96902675
   0.16859240  0.59501236  0.09737125
   0.40592634  0.69253404  0.27151111
   0.11567718  0.84011621  0.03889002
   0.36388107  0.93642023  0.35005490
   0.38895083  0.90856398  0.16340382
   0.16603957  0.84109403  0.23699536
   0.35913396  0.64246526  0.45065753
   0.09874891  0.64114755  0.40246520
   0.25931337  0.43942366  0.53728096
   0.30186203  0.71855769  0.74748824
   0.16866207  0.73580127  0.55922607
   0.38766449  0.99701315  0.78763541
   0.50920079  0.86613819  0.63792204
   0.24783309  0.96710523  0.62703284
   0.28107508  0.66973162 -0.06069338
   0.01715403  0.65218197  0.93040677
   0.59682002  0.04521452  0.09878359
   0.82969778  0.21293675  0.23567400
   0.61227805  0.28455855  0.02556259
   0.89877673  0.47787647  0.35144432
   0.03136374  0.40510398  0.17161798
   0.78263920  0.42210029  0.11363359
   0.66520297  0.19083928  0.38257613
   0.44719190  0.12945531  0.46643813
   0.68610573  0.06487470  0.55626805
   0.89821149  0.25516404  0.84316487
   0.60427077  0.32195950  0.53663223
   0.82811640  0.50978576  0.83435523
   1.01678722  0.50109618  0.57855475
   0.73170772  0.36370033  0.69999174
   0.79906395  0.10472706  0.97715521
   0.53624054  0.08072595  0.90762795
   0.53999770  0.54581934  0.03510118
   0.90710831  0.72877541  0.27662486
   0.55055659  0.81387678  0.03291288
   0.80898403  0.97686188  0.32185220
   0.90677560  0.89159562  0.14124296
   0.65953959  0.82381221  0.20372125
   0.85044620  0.68918592  0.45961599
   0.61253794  0.60210084  0.38928926
   0.64759538  0.59476332  0.57409543
   0.83054545  0.76862912  0.81690116
   0.62417210  0.84470125  0.49117339
   0.95338241  1.00062855  0.83501489
   1.01357616  0.86001519  0.69629476
   0.76377447  0.97030463  0.70092403
   0.75695075  0.68575578  0.98311404
   0.52959825  0.67907396  0.87376049
   0.78129532  0.79996467  0.61237290
   0.39908363  0.70021331  0.50809984
   0.94636750  0.21523838  0.08251311
   0.86074111  0.45121227  0.41257047
   0.46498394  0.11199530  0.63172099
   0.24660333  0.99085573  0.93537145
   0.16354863  1.10033896  0.21116712
   0.31756340  1.15725384  0.06081966
   0.62908504  0.33907609  0.85772591
   0.68032686  0.62751192  0.64015456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.609581    0.232963   -0.127299
    -0.000000    9.836065    0.024063
    -0.000000    0.000000   14.092019
   Si   O    H 
    32    64    10
Direct configuration=  3050
   0.21692127  0.20349245 -0.01964371
   0.34905096  0.09832839  0.37854503
   0.16602288  0.43137706  0.11489518
   0.40658544  0.34028616  0.25729880
   0.06382488  0.12372708  0.48264051
   0.41868241  0.13559805  0.83872201
   0.14705058  0.37026015  0.60615390
   0.38638689  0.37802549  0.73884718
   0.14331024  0.68205061  0.00291076
   0.44730669  0.59753341  0.36014506
   0.08183754  0.91209827  0.14184969
   0.33050238  0.83976091  0.26610477
   0.14902664  0.58967892  0.51352833
   0.35573202  0.64344127  0.83754420
   0.10897000  0.87834378  0.60328601
   0.40253803  0.98137129  0.67254792
   0.63831336  0.12579966  1.00318865
   0.81597741  0.13950821  0.33788507
   0.61544296  0.42162208  0.09545627
   0.89577456  0.30721471  0.15291633
   0.60413161  0.16759898  0.48750529
   0.92219742  0.12517574  0.90887730
   0.61939225  0.42212719  0.62456624
   0.76322162  0.36150621  0.81373305
   0.59306354  0.67952539 -0.02262202
   0.93624393  0.63233006  0.36666935
   0.54871614  0.89951991  0.12996495
   0.82011925  0.86185277  0.23946859
   0.68674988  0.69481293  0.47275662
   0.86200382  0.65544881  0.89669743
   0.67313513  0.91438795  0.59601944
   0.88225781  0.90025640  0.76160567
   0.10452896  0.07768982  0.15370666
   0.38917728  0.18360129  0.28017717
   0.19866808  0.37251307  0.01364420
   0.40117945  0.43752057  0.35416250
   0.54516025  0.38664241  0.20316907
   0.28418677  0.38841421  0.18867193
   0.19265078  0.13481265  0.40135752
  -0.06493250  0.18033663  0.41754142
   0.03282974 -0.02532243  0.51282631
   0.48145603  0.24605806  0.76489238
   0.09375326  0.21759305  0.57711975
   0.35745908  0.47459717  0.82243565
   0.47747102  0.46541911  0.66757960
   0.22345041  0.33871657  0.70710294
   0.28380688  0.21918048 -0.12489729
   0.06683881  0.12739496  0.97007981
   0.16836523  0.59663182  0.09729682
   0.40569062  0.69423110  0.27344074
   0.11380267  0.84020758  0.03967959
   0.36613334  0.93640612  0.34940050
   0.38832917  0.90923728  0.16401305
   0.16794030  0.84248326  0.23608678
   0.36035928  0.64328284  0.45081774
   0.09804377  0.64246126  0.40250886
   0.25912976  0.43905408  0.53732988
   0.30258910  0.71964693  0.74815544
   0.16832746  0.73475869  0.55798095
   0.38727282  0.99584670  0.78707830
   0.51089510  0.86749423  0.63795024
   0.24715327  0.96543792  0.62654407
   0.28101693  0.66973060 -0.06119234
   0.01719488  0.65152648  0.93154666
   0.59641214  0.04653746  0.09798919
   0.83131242  0.21214707  0.23529623
   0.61196247  0.28456206  0.02492884
   0.89785008  0.47731195  0.35127733
   0.03076176  0.40425409  0.17174048
   0.78290557  0.42363237  0.11361474
   0.66482892  0.19215634  0.38113528
   0.44662342  0.12947599  0.46479359
   0.68922122  0.06512407  0.55604752
   0.89806548  0.25692843  0.84216106
   0.60406579  0.32112373  0.53796103
   0.82855441  0.50875510  0.83491094
   1.01816892  0.50027644  0.57827590
   0.73166725  0.36325903  0.69849822
   0.80019853  0.10527804  0.97713965
   0.53538685  0.08150019  0.90759433
   0.53871934  0.54681237  0.03364449
   0.90577449  0.72859126  0.27597839
   0.55081132  0.81377182  0.03286760
   0.80748180  0.97655321  0.32008991
   0.90528759  0.89232676  0.14032320
   0.66007633  0.82325468  0.20462845
   0.84814391  0.69021464  0.46064173
   0.61295535  0.60136643  0.39054765
   0.64600410  0.59556197  0.57442490
   0.82777186  0.76971354  0.81558131
   0.62483952  0.84251868  0.49253694
   0.95280708  1.00184221  0.83369319
   1.01460546  0.86019205  0.69556706
   0.76373032  0.97066157  0.70031792
   0.75486302  0.68546402  0.98353504
   0.52851702  0.68078262  0.87383551
   0.79287439  0.79467992  0.61009692
   0.40098722  0.70367643  0.51182190
   0.94433989  0.21197520  0.08231109
   0.86283430  0.45707667  0.40457794
   0.46344142  0.11746399  0.62634009
   0.25469194  0.99281947  0.93986573
   0.15903750  1.09575018  0.20302290
   0.31876922  1.16246703  0.05884676
   0.62745872  0.33762685  0.85723173
   0.67652316  0.63195881  0.63430726
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.608592    0.235526   -0.128116
    -0.000000    9.837605    0.024843
    -0.000000    0.000000   14.092104
   Si   O    H 
    32    64    10
Direct configuration=  3051
   0.21766824  0.20326560 -0.01967745
   0.34850267  0.09787784  0.37905760
   0.16753945  0.42975445  0.11405555
   0.40465357  0.34034211  0.25740772
   0.06377582  0.12443225  0.48298990
   0.41732829  0.13435263  0.83923805
   0.14810909  0.36942297  0.60597778
   0.38800907  0.37761948  0.73936836
   0.14283897  0.68085936  0.00311993
   0.44559723  0.59830081  0.36042147
   0.08073967  0.91197103  0.14219281
   0.33129136  0.84043793  0.26622800
   0.14815662  0.58937000  0.51328806
   0.35678208  0.64298579  0.83713786
   0.10917778  0.87741574  0.60254221
   0.40166767  0.97984959  0.67389176
   0.63667984  0.12654655  1.00328191
   0.81496556  0.14044419  0.33697700
   0.61632320  0.42340669  0.09569509
   0.89601413  0.30815239  0.15355641
   0.60509903  0.16721845  0.48751512
   0.92234900  0.12493500  0.90813643
   0.62018683  0.42093308  0.62414404
   0.76316591  0.36046590  0.81299265
   0.59300882  0.67989934 -0.02254808
   0.93581564  0.63282603  0.36630769
   0.54829777  0.89890825  0.13026255
   0.82148823  0.86224702  0.23900029
   0.68612622  0.69542057  0.47264068
   0.86218192  0.65578015  0.89577549
   0.67192448  0.91419390  0.59653550
   0.88339563  0.89983425  0.76160005
   0.10315858  0.07646688  0.15395081
   0.38870534  0.18313801  0.28011636
   0.20062585  0.37248647  0.01208268
   0.40238896  0.43743958  0.35420431
   0.54462985  0.38750558  0.20293530
   0.28423261  0.38806503  0.18902113
   0.19330670  0.13534438  0.40164528
  -0.06473616  0.17908770  0.41748285
   0.03477698 -0.02335322  0.51434246
   0.48228472  0.24640670  0.76564861
   0.09347580  0.21851852  0.57653064
   0.35613731  0.47279745  0.82294494
   0.47709619  0.46631397  0.66798131
   0.22313391  0.33918284  0.70717970
   0.28627141  0.22010839 -0.12440883
   0.06720553  0.12503233  0.97088859
   0.16778811  0.59807217  0.09716438
   0.40544307  0.69596664  0.27549397
   0.11264295  0.84040491  0.04055255
   0.36840451  0.93685850  0.34944718
   0.38859051  0.91015456  0.16447942
   0.16883837  0.84388837  0.23558355
   0.36205227  0.64433310  0.45205864
   0.09700104  0.64365146  0.40222984
   0.25837989  0.43888564  0.53740199
   0.30306328  0.72125343  0.74833405
   0.16870172  0.73496940  0.55718375
   0.38718524  0.99485165  0.78645798
   0.51327065  0.86857667  0.63726913
   0.24694890  0.96363956  0.62608599
   0.28025615  0.66913270 -0.06129546
   0.01745830  0.65050561  0.93249223
   0.59599300  0.04797700  0.09689130
   0.83327991  0.21107097  0.23511595
   0.61034802  0.28485234  0.02402061
   0.89770414  0.47733263  0.34972635
   0.02977369  0.40439130  0.17223566
   0.78315279  0.42481056  0.11405350
   0.66479333  0.19352324  0.37971195
   0.44572433  0.12997223  0.46403751
   0.69234499  0.06517996  0.55568469
   0.89644144  0.25851711  0.84118570
   0.60315669  0.32014746  0.53901222
   0.82975496  0.50819155  0.83571419
   1.01976587  0.49963252  0.57740506
   0.73164610  0.36346723  0.69732626
   0.80009144  0.10597621  0.97753389
   0.53495096  0.08108503  0.90830845
   0.53847932  0.54695378  0.03316024
   0.90388937  0.72874299  0.27563472
   0.55134920  0.81359175  0.03298130
   0.80620709  0.97685814  0.31853948
   0.90396181  0.89253115  0.13912050
   0.66023525  0.82362260  0.20558570
   0.84649470  0.69089683  0.46163154
   0.61352562  0.60102182  0.39101733
   0.64479722  0.59652889  0.57448486
   0.82558530  0.77117071  0.81487305
   0.62537669  0.83975640  0.49338961
   0.95230708  1.00252666  0.83294270
   1.01620538  0.86030964  0.69396814
   0.76363611  0.97043874  0.69996638
   0.75391029  0.68498882  0.98357610
   0.52697093  0.68221490  0.87373323
   0.80033288  0.79191065  0.60516517
   0.39803617  0.69696343  0.50735405
   0.94302355  0.20880284  0.07928916
   0.85007786  0.45160335  0.41713491
   0.46098526  0.12085042  0.62308357
   0.26339470  0.99476485  0.94562126
   0.16754035  1.09709034  0.20719680
   0.31643047  1.16771228  0.05588223
   0.62726903  0.33486298  0.85753328
   0.67614430  0.64118480  0.63038580
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.607426    0.237746   -0.128936
    -0.000000    9.839392    0.025631
    -0.000000    0.000000   14.092348
   Si   O    H 
    32    64    10
Direct configuration=  3052
   0.21751789  0.20312510 -0.01962383
   0.34832399  0.09669531  0.37896753
   0.16902058  0.42845844  0.11288442
   0.40347318  0.34077068  0.25759771
   0.06456959  0.12580208  0.48352972
   0.41630663  0.13324755  0.83933391
   0.14858047  0.36847640  0.60567629
   0.38910450  0.37672583  0.74012746
   0.14273486  0.68054849  0.00310521
   0.44439833  0.59885842  0.36078524
   0.07971993  0.91248286  0.14236483
   0.33186155  0.84168510  0.26641903
   0.14717870  0.58868303  0.51283836
   0.35849161  0.64190136  0.83727986
   0.10944744  0.87633048  0.60138103
   0.40120372  0.97852143  0.67460258
   0.63526784  0.12714848  1.00320481
   0.81381544  0.14176010  0.33599895
   0.61670267  0.42482642  0.09561033
   0.89580957  0.30903176  0.15426854
   0.60636940  0.16697140  0.48690294
   0.92237947  0.12468870  0.90731338
   0.62135165  0.42032080  0.62383538
   0.76328860  0.36088719  0.81239592
   0.59229107  0.67952201 -0.02285095
   0.93523716  0.63334437  0.36647685
   0.54829757  0.89801615  0.13031320
   0.82287631  0.86264313  0.23833898
   0.68532006  0.69539524  0.47261333
   0.86225715  0.65562041  0.89486410
   0.67213606  0.91351076  0.59724001
   0.88460602  0.89944719  0.76122289
   0.10218219  0.07446898  0.15447384
   0.38848485  0.18230462  0.28016786
   0.20108302  0.37264968  0.01029156
   0.40317486  0.43748476  0.35468368
   0.54419108  0.38866675  0.20256630
   0.28341925  0.38775788  0.18903651
   0.19279361  0.13606922  0.40273371
  -0.06501540  0.17871679  0.41727950
   0.03724725 -0.02236496  0.51555478
   0.48279073  0.24717422  0.76580196
   0.09376433  0.21849105  0.57594974
   0.35504337  0.47173438  0.82403430
   0.47660661  0.46655109  0.66767157
   0.22315903  0.33979906  0.70736993
   0.28862485  0.22003342 -0.12357111
   0.06715729  0.12344339  0.97151818
   0.16669243  0.59964181  0.09661256
   0.40477134  0.69789947  0.27755936
   0.11183932  0.83986227  0.04131222
   0.37046395  0.93795310  0.35047600
   0.38934578  0.91085351  0.16550997
   0.16922702  0.84481851  0.23471435
   0.36335848  0.64545426  0.45383403
   0.09654867  0.64442326  0.40180576
   0.25737644  0.43956468  0.53742895
   0.30331741  0.72279577  0.74893910
   0.16843212  0.73584145  0.55620749
   0.38593087  0.99496943  0.78554924
   0.51681294  0.86986653  0.63595379
   0.24739243  0.96242969  0.62555855
   0.27938102  0.66835816 -0.06170927
   0.01681698  0.64910793  0.93296707
   0.59637340  0.04949553  0.09629711
   0.83485224  0.21004006  0.23489025
   0.61000428  0.28557476  0.02333668
   0.89660048  0.47663867  0.34875683
   0.02881519  0.40465760  0.17247312
   0.78272135  0.42608761  0.11396702
   0.66547159  0.19480839  0.37910791
   0.44525095  0.12950896  0.46350611
   0.69610008  0.06597440  0.55536712
   0.89478407  0.25989864  0.84014849
   0.60224372  0.31843160  0.53943502
   0.83132054  0.50812985  0.83657043
   1.02099437  0.49763897  0.57683457
   0.73140968  0.36353316  0.69623116
   0.79915533  0.10669045  0.97816615
   0.53469902  0.08143474  0.90911476
   0.53860840  0.54657721  0.03356049
   0.90242248  0.72822966  0.27564646
   0.55218105  0.81432258  0.03350003
   0.80544737  0.97767906  0.31731981
   0.90309348  0.89265011  0.13851455
   0.66067944  0.82455048  0.20666443
   0.84598281  0.69104620  0.46213177
   0.61333719  0.60121865  0.39134540
   0.64283572  0.59725482  0.57456351
   0.82385016  0.77254576  0.81448546
   0.62516464  0.83686188  0.49367069
   0.95158177  1.00331070  0.83247382
   1.01758675  0.86099990  0.69327778
   0.76272226  0.96977979  0.70003238
   0.75399444  0.68383958  0.98308669
   0.52519599  0.68320318  0.87278863
   0.79740067  0.79134707  0.60018080
   0.38955929  0.68774984  0.49954707
   0.93930707  0.20910067  0.07692813
   0.84631303  0.44426814  0.41712321
   0.45636325  0.11945010  0.62342061
   0.26943411  0.99269372  0.95218823
   0.17631374  1.10023879  0.20726039
   0.31657711  1.16739003  0.05559004
   0.62446899  0.33254374  0.85648194
   0.67954878  0.65583675  0.63267841
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.605993    0.240265   -0.129512
    -0.000000    9.840818    0.026676
    -0.000000    0.000000   14.092575
   Si   O    H 
    32    64    10
Direct configuration=  3053
   0.21761006  0.20313011 -0.01985252
   0.34814772  0.09573287  0.37907604
   0.16992531  0.42782239  0.11197837
   0.40319672  0.34110204  0.25751660
   0.06570628  0.12751360  0.48411389
   0.41526784  0.13244727  0.83951531
   0.14843352  0.36809800  0.60543345
   0.38930930  0.37576780  0.74082204
   0.14335162  0.68083366  0.00276050
   0.44399721  0.59841578  0.36154681
   0.07882042  0.91309731  0.14259341
   0.33168305  0.84269434  0.26609074
   0.14653804  0.58826023  0.51216446
   0.35985405  0.64135366  0.83741823
   0.10931966  0.87599554  0.60056536
   0.40101597  0.97765398  0.67521901
   0.63340158  0.12751620  1.00325501
   0.81274756  0.14314136  0.33566754
   0.61659638  0.42539538  0.09526557
   0.89552392  0.30990059  0.15464265
   0.60784160  0.16701049  0.48643077
   0.92232175  0.12390758  0.90612124
   0.62198183  0.41941794  0.62328028
   0.76409155  0.36096033  0.81260029
   0.59090202  0.67931373 -0.02323813
   0.93460849  0.63376673  0.36684846
   0.54864756  0.89744013  0.13050631
   0.82360534  0.86215990  0.23786615
   0.68447948  0.69507254  0.47200956
   0.86165188  0.65573750  0.89426641
   0.67265853  0.91262971  0.59756149
   0.88639445  0.89882549  0.76075509
   0.10244059  0.07310315  0.15547421
   0.38754060  0.18172685  0.28032209
   0.20160277  0.37191124  0.00846403
   0.40413372  0.43720139  0.35485344
   0.54348603  0.38975168  0.20237076
   0.28206094  0.38823058  0.18909498
   0.19123530  0.13624555  0.40387672
  -0.06576961  0.17890500  0.41655529
   0.03929373 -0.02134452  0.51768853
   0.48310021  0.24790189  0.76649543
   0.09463415  0.21880441  0.57504180
   0.35394090  0.47127520  0.82524196
   0.47603214  0.46637682  0.66676653
   0.22346172  0.34078160  0.70734202
   0.29083574  0.21986461 -0.12243570
   0.06706728  0.12263474  0.97265898
   0.16597577  0.59995381  0.09616641
   0.40469314  0.70020921  0.27939986
   0.11102297  0.83974568  0.04184257
   0.37190264  0.93961025  0.35131263
   0.38953255  0.91187351  0.16671610
   0.16904287  0.84492623  0.23404962
   0.36379899  0.64511008  0.45407003
   0.09660043  0.64438617  0.40193558
   0.25621749  0.44045757  0.53727897
   0.30344913  0.72419764  0.74933039
   0.16709197  0.73740734  0.55600872
   0.38474380  0.99435305  0.78453046
   0.52061423  0.87100211  0.63482216
   0.24858925  0.96068345  0.62504634
   0.27910362  0.66730012 -0.06177058
   0.01606041  0.64791302  0.93347768
   0.59683148  0.05097014  0.09587115
   0.83662409  0.20909701  0.23449033
   0.60877164  0.28740339  0.02284459
   0.89568226  0.47564604  0.34853133
   0.02833204  0.40381268  0.17268707
   0.78213986  0.42755622  0.11409992
   0.66633538  0.19571476  0.37853945
   0.44588932  0.12962682  0.46314198
   0.69957410  0.06725085  0.55444873
   0.89342353  0.26097737  0.83915958
   0.60139639  0.31636918  0.54028587
   0.83293141  0.50909030  0.83742710
   1.02279050  0.49643653  0.57626002
   0.73191251  0.36298607  0.69572920
   0.79749059  0.10742423  0.97884245
   0.53507776  0.08131931  0.91130714
   0.53836760  0.54615368  0.03405923
   0.90110833  0.72773060  0.27599512
   0.55295557  0.81504712  0.03409902
   0.80600022  0.97817687  0.31638010
   0.90296765  0.89255709  0.13875668
   0.66090145  0.82486920  0.20805097
   0.84577637  0.69042132  0.46263628
   0.61343215  0.60199561  0.39157167
   0.64111577  0.59866483  0.57480923
   0.82201931  0.77255448  0.81434762
   0.62361072  0.83371302  0.49331290
   0.95151016  1.00388621  0.83208514
   1.01893009  0.86210178  0.69262088
   0.76218531  0.96893365  0.70023110
   0.75485748  0.68360347  0.98298314
   0.52303851  0.68468884  0.87194090
   0.78986965  0.79332825  0.59881729
   0.39557735  0.70119397  0.51605335
   0.93143996  0.21592286  0.07703270
   0.84846238  0.44018178  0.40754081
   0.44646237  0.10938988  0.62841915
   0.27382709  0.98892350  0.95572985
   0.17443386  1.09966218  0.19965475
   0.31978945  1.16317801  0.05836943
   0.62129732  0.33098431  0.85379942
   0.68274629  0.66444715  0.63161111
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.605060    0.242823   -0.129949
    -0.000000    9.842600    0.027913
    -0.000000    0.000000   14.092975
   Si   O    H 
    32    64    10
Direct configuration=  3054
   0.21664882  0.20326586 -0.02009990
   0.34758899  0.09511388  0.37901685
   0.17004315  0.42794408  0.11095388
   0.40321976  0.34091594  0.25751914
   0.06646393  0.12820156  0.48466935
   0.41463140  0.13136024  0.83949240
   0.14779847  0.36732675  0.60492566
   0.38884874  0.37555121  0.74118512
   0.14418976  0.68117464  0.00215523
   0.44455370  0.59730895  0.36253404
   0.07831459  0.91402117  0.14239106
   0.33076490  0.84398422  0.26565867
   0.14527975  0.58791128  0.51169930
   0.36109079  0.64033258  0.83783775
   0.10885943  0.87648724  0.59988919
   0.40031556  0.97672650  0.67547581
   0.63180686  0.12814016  1.00290036
   0.81174195  0.14456206  0.33506368
   0.61605116  0.42544502  0.09525940
   0.89524130  0.31096282  0.15494837
   0.60980600  0.16695993  0.48599872
   0.92241784  0.12386770  0.90523922
   0.62302381  0.41834160  0.62270444
   0.76480081  0.36174797  0.81292650
   0.58923358  0.67892960 -0.02327889
   0.93404156  0.63386853  0.36765957
   0.54855135  0.89753702  0.13080417
   0.82343403  0.86188874  0.23759789
   0.68348847  0.69377299  0.47170573
   0.86113323  0.65632910  0.89379621
   0.67335129  0.91121485  0.59795984
   0.88765000  0.89842688  0.75985424
   0.10242806  0.07212727  0.15616463
   0.38657080  0.18125048  0.28078778
   0.20169979  0.37037321  0.00695897
   0.40469956  0.43690686  0.35531611
   0.54385580  0.39136743  0.20199239
   0.28076856  0.38871691  0.18922070
   0.18975347  0.13615854  0.40466634
  -0.06694115  0.17940412  0.41513229
   0.03994007 -0.02029145  0.51964797
   0.48342602  0.24757499  0.76724358
   0.09513473  0.21898560  0.57431004
   0.35299228  0.47083061  0.82673891
   0.47544883  0.46602563  0.66607560
   0.22391434  0.34194369  0.70653449
   0.29228291  0.22000001 -0.12174222
   0.06628527  0.12156410  0.97388320
   0.16577168  0.60022534  0.09564329
   0.40473580  0.70211725  0.28141107
   0.11052366  0.84014651  0.04240824
   0.37264138  0.94100883  0.35158411
   0.38956176  0.91240358  0.16777936
   0.16907449  0.84409237  0.23439815
   0.36386733  0.64433594  0.45446930
   0.09638710  0.64369462  0.40232474
   0.25514303  0.44158348  0.53679323
   0.30313251  0.72563463  0.74957599
   0.16512831  0.73842833  0.55549413
   0.38385183  0.99356774  0.78380956
   0.52347106  0.87246875  0.63444741
   0.24924086  0.95946503  0.62441774
   0.27884792  0.66612302 -0.06173316
   0.01519818  0.64695103  0.93389546
   0.59700510  0.05208381  0.09609824
   0.83834502  0.20873084  0.23446835
   0.60828258  0.28844612  0.02232417
   0.89484349  0.47381121  0.34848766
   0.02785178  0.40258267  0.17240344
   0.78100738  0.42921322  0.11417439
   0.66742126  0.19619952  0.37803129
   0.44667123  0.13025494  0.46329318
   0.70275198  0.06794783  0.55314812
   0.89289569  0.26113468  0.83813735
   0.60019832  0.31466866  0.54151645
   0.83399975  0.51025476  0.83778149
   1.02445819  0.49459969  0.57591130
   0.73297065  0.36278959  0.69524049
   0.79545326  0.10856993  0.97937453
   0.53600931  0.08090374  0.91342708
   0.53862660  0.54612708  0.03457176
   0.89941569  0.72717964  0.27640474
   0.55397172  0.81570519  0.03519010
   0.80734475  0.97892273  0.31588101
   0.90355847  0.89306889  0.13904393
   0.66125608  0.82547496  0.20903447
   0.84497506  0.69035390  0.46318328
   0.61350303  0.60290319  0.39158577
   0.63911628  0.60113192  0.57545659
   0.82034548  0.77250496  0.81505442
   0.62226290  0.83079121  0.49262950
   0.95140684  1.00489528  0.83251056
   1.01979579  0.86232676  0.69192166
   0.76165904  0.96837424  0.70011767
   0.75592160  0.68311032  0.98257705
   0.52081300  0.68653027  0.87104133
   0.78279687  0.79702313  0.60075904
   0.39673029  0.71007932  0.52336955
   0.92303253  0.22191708  0.07749501
   0.85212845  0.43903467  0.39515673
   0.43864891  0.09940824  0.63486314
   0.27927451  0.98349393  0.95755265
   0.17582008  1.09734397  0.19569258
   0.31948097  1.15998968  0.06212765
   0.62288251  0.33126994  0.85100777
   0.68463985  0.66126603  0.62581282
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.604298    0.244818   -0.130387
    -0.000000    9.844363    0.029617
    -0.000000    0.000000   14.093653
   Si   O    H 
    32    64    10
Direct configuration=  3055
   0.21524572  0.20343999 -0.01996301
   0.34682335  0.09533745  0.37894220
   0.17012614  0.42846157  0.10988075
   0.40305647  0.34098421  0.25751693
   0.06696371  0.12876703  0.48531972
   0.41402071  0.13025384  0.83910351
   0.14700143  0.36621707  0.60480573
   0.38768427  0.37513712  0.74126111
   0.14492337  0.68180613  0.00171237
   0.44503176  0.59589889  0.36377033
   0.07831794  0.91416159  0.14229991
   0.33015248  0.84568965  0.26498500
   0.14437126  0.58724591  0.51156192
   0.36120650  0.63910353  0.83788675
   0.10898322  0.87736174  0.59975899
   0.39960099  0.97530521  0.67544173
   0.63060296  0.12890281  1.00248368
   0.81113521  0.14565836  0.33505341
   0.61556072  0.42488508  0.09543407
   0.89506042  0.31146836  0.15542377
   0.61086494  0.16788945  0.48552428
   0.92300531  0.12449945  0.90430308
   0.62362672  0.41762549  0.62221375
   0.76507507  0.36277190  0.81282968
   0.58752820  0.67900555 -0.02306586
   0.93292967  0.63350278  0.36855588
   0.54865237  0.89769854  0.13095714
   0.82283716  0.86138393  0.23743739
   0.68256280  0.69245940  0.47136560
   0.86022756  0.65701538  0.89320104
   0.67462895  0.91080220  0.59830424
   0.88891796  0.89871070  0.75898493
   0.10168311  0.07069633  0.15643548
   0.38584581  0.18049687  0.28092919
   0.20096326  0.36811704  0.00576127
   0.40438591  0.43671480  0.35551933
   0.54382706  0.39250408  0.20140243
   0.27907144  0.38897706  0.18884546
   0.18890458  0.13609747  0.40540697
  -0.06791255  0.17977521  0.41446448
   0.04081178 -0.02015852  0.52109271
   0.48360657  0.24698627  0.76801661
   0.09567045  0.21989286  0.57389318
   0.35246948  0.47125846  0.82848025
   0.47546308  0.46588059  0.66530038
   0.22521254  0.34305072  0.70606264
   0.29321682  0.22045014 -0.12114046
   0.06620555  0.12080300  0.97454678
   0.16565075  0.59974327  0.09541456
   0.40440319  0.70377242  0.28300222
   0.11021668  0.83971650  0.04255534
   0.37386107  0.94233201  0.35185287
   0.38937740  0.91334465  0.16881754
   0.16776919  0.84430151  0.23440537
   0.36397982  0.64401059  0.45529117
   0.09626174  0.64183659  0.40317711
   0.25511020  0.44295579  0.53616468
   0.30257928  0.72698984  0.74964419
   0.16356016  0.73857526  0.55526950
   0.38326052  0.99253728  0.78332022
   0.52544998  0.87400179  0.63485481
   0.25008056  0.95874695  0.62422608
   0.27842691  0.66499932 -0.06210113
   0.01547950  0.64612549  0.93411099
   0.59638392  0.05185984  0.09618409
   0.83929388  0.20801093  0.23481602
   0.60734216  0.29052103  0.02233810
   0.89476148  0.47286308  0.34705242
   0.02798827  0.40199612  0.17237657
   0.77981759  0.43108435  0.11468933
   0.66887117  0.19758328  0.37764972
   0.44715552  0.13062135  0.46342191
   0.70520346  0.06790923  0.55191264
   0.89252047  0.26023277  0.83749163
   0.59877057  0.31290430  0.54196587
   0.83493374  0.51142905  0.83835710
   1.02581354  0.49313881  0.57573067
   0.73462306  0.36225004  0.69490028
   0.79434424  0.10970807  0.97983709
   0.53771085  0.08010724  0.91502836
   0.53880307  0.54537467  0.03545444
   0.89863723  0.72675478  0.27698068
   0.55444495  0.81676535  0.03599679
   0.80826098  0.97935350  0.31555308
   0.90355186  0.89389634  0.13983661
   0.66102984  0.82633696  0.20962370
   0.84536808  0.69007725  0.46395802
   0.61226478  0.60342556  0.39136894
   0.63738256  0.60368259  0.57635041
   0.81842272  0.77216862  0.81549248
   0.61991959  0.82948885  0.49201311
   0.95118653  1.00612250  0.83424317
   1.02040889  0.86221740  0.69133119
   0.76049280  0.96815981  0.70017650
   0.75728910  0.68275834  0.98202563
   0.51877243  0.68794178  0.87062590
   0.77687168  0.80083699  0.60592525
   0.39578323  0.70854564  0.51837601
   0.91435834  0.22779652  0.07769388
   0.84177471  0.42075927  0.40081343
   0.42997151  0.09939802  0.63880234
   0.28428498  0.97901853  0.95665374
   0.18398407  1.09622073  0.19644969
   0.31929536  1.15647478  0.06524340
   0.62773043  0.33256306  0.85205987
   0.68378738  0.65441895  0.61845170
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.603772    0.246499   -0.130722
    -0.000000    9.846478    0.030547
    -0.000000    0.000000   14.094084
   Si   O    H 
    32    64    10
Direct configuration=  3056
   0.21465142  0.20329876 -0.01969508
   0.34603585  0.09501156  0.37877205
   0.16906273  0.42859234  0.10882917
   0.40336880  0.34127172  0.25737775
   0.06794084  0.12935828  0.48561290
   0.41449884  0.12961761  0.83849312
   0.14618295  0.36579712  0.60454271
   0.38655298  0.37469629  0.74110421
   0.14535653  0.68366580  0.00146695
   0.44561430  0.59467374  0.36513782
   0.07866220  0.91359429  0.14233220
   0.32939708  0.84640408  0.26443789
   0.14314304  0.58662566  0.51180972
   0.36093953  0.63826332  0.83712520
   0.10926008  0.87830516  0.59972900
   0.39869590  0.97321311  0.67521386
   0.63010415  0.13004841  1.00206504
   0.81039171  0.14567713  0.33502165
   0.61483110  0.42418605  0.09549452
   0.89466751  0.31253968  0.15576989
   0.61127263  0.16819974  0.48485014
   0.92381445  0.12495468  0.90322758
   0.62378412  0.41675164  0.62182921
   0.76527501  0.36415283  0.81269183
   0.58634690  0.67929826 -0.02330411
   0.93209856  0.63366383  0.36942533
   0.54917920  0.89855917  0.13087932
   0.82221558  0.86070764  0.23735384
   0.68168589  0.69056877  0.47143571
   0.85957494  0.65706360  0.89232978
   0.67576204  0.91035786  0.59865014
   0.88944238  0.89908481  0.75819029
   0.10181619  0.06985918  0.15699654
   0.38548776  0.17964227  0.28078095
   0.20010789  0.36548040  0.00493091
   0.40336828  0.43630781  0.35533460
   0.54214327  0.39417417  0.20052233
   0.27775691  0.38816441  0.18853569
   0.18830242  0.13519582  0.40585908
  -0.06915732  0.17979484  0.41393542
   0.04156095 -0.01994393  0.52257292
   0.48376865  0.24516491  0.76830674
   0.09567075  0.22131997  0.57347181
   0.35249980  0.47282117  0.83016943
   0.47540642  0.46663330  0.66418994
   0.22607170  0.34318030  0.70553315
   0.29373120  0.22121479 -0.12018790
   0.06557525  0.12008229  0.97575864
   0.16539456  0.59889764  0.09543038
   0.40479044  0.70594067  0.28382556
   0.10968774  0.83875731  0.04247060
   0.37403009  0.94351910  0.35196798
   0.39018691  0.91410581  0.16967261
   0.16643809  0.84459943  0.23396863
   0.36424326  0.64464210  0.45671995
   0.09589363  0.64070688  0.40336772
   0.25488521  0.44408241  0.53515795
   0.30218434  0.72831369  0.75009127
   0.16185361  0.73778784  0.55522776
   0.38259033  0.99121073  0.78327305
   0.52617855  0.87521131  0.63618526
   0.25050003  0.95830851  0.62380313
   0.27721783  0.66429672 -0.06284222
   0.01571967  0.64517221  0.93377318
   0.59569070  0.05094013  0.09693801
   0.84038967  0.20857571  0.23461079
   0.60617754  0.29289930  0.02267268
   0.89351726  0.47215961  0.34632577
   0.02807745  0.40120367  0.17251099
   0.77953163  0.43278520  0.11515070
   0.67025803  0.19956277  0.37744160
   0.44797555  0.13118350  0.46354077
   0.70772214  0.06729039  0.55057968
   0.89263449  0.25925139  0.83664004
   0.59760948  0.31155505  0.54187561
   0.83497913  0.51277939  0.83931690
   1.02672002  0.49227759  0.57534855
   0.73718258  0.36231377  0.69434412
   0.79433052  0.11036626  0.98045414
   0.53905811  0.07898957  0.91590910
   0.53909346  0.54434162  0.03668704
   0.89788480  0.72616230  0.27736285
   0.55361358  0.81751210  0.03644463
   0.80915904  0.97999797  0.31562477
   0.90442568  0.89470460  0.13986826
   0.65946084  0.82679229  0.21015954
   0.84732065  0.68962009  0.46403570
   0.61124372  0.60332949  0.39049979
   0.63537412  0.60477309  0.57622126
   0.81720097  0.77237439  0.81598662
   0.61826931  0.82977007  0.49195904
   0.95062366  1.00653313  0.83562546
   1.02129373  0.86278648  0.69129390
   0.75921947  0.96800984  0.70042846
   0.75804730  0.68254567  0.98109944
   0.51731978  0.68838100  0.87014601
   0.77557601  0.80296713  0.61184194
   0.39395120  0.70132883  0.50641283
   0.90975173  0.23142620  0.07412600
   0.83835992  0.41315994  0.39833720
   0.42345196  0.10743721  0.63792373
   0.28626762  0.97781843  0.95425011
   0.18514764  1.09240037  0.19329056
   0.31597107  1.15456823  0.06546593
   0.63341764  0.33605325  0.85394491
   0.69535033  0.65988458  0.62217494
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.602997    0.247890   -0.131071
    -0.000000    9.848469    0.031695
    -0.000000    0.000000   14.094603
   Si   O    H 
    32    64    10
Direct configuration=  3057
   0.21404800  0.20294644 -0.01961076
   0.34517150  0.09546446  0.37826525
   0.16793371  0.42923876  0.10803964
   0.40357994  0.34189661  0.25757738
   0.06893362  0.13003833  0.48524590
   0.41562462  0.12874873  0.83786833
   0.14536246  0.36602835  0.60436547
   0.38556333  0.37479785  0.74075956
   0.14579795  0.68528128  0.00117311
   0.44706684  0.59305413  0.36653682
   0.07877813  0.91250932  0.14245188
   0.32808377  0.84752177  0.26362026
   0.14170381  0.58599248  0.51211708
   0.36059026  0.63749591  0.83602669
   0.10943357  0.87910637  0.60004010
   0.39773324  0.97122654  0.67450595
   0.62988000  0.13159960  1.00175838
   0.81014444  0.14516604  0.33522477
   0.61376663  0.42262994  0.09536571
   0.89434214  0.31340031  0.15587990
   0.61142512  0.16884043  0.48423603
   0.92453778  0.12537822  0.90264353
   0.62389034  0.41607564  0.62119303
   0.76551106  0.36501381  0.81235697
   0.58557499  0.67955914 -0.02378230
   0.93186256  0.63328455  0.36984234
   0.54976921  0.89988366  0.13104649
   0.82094307  0.86027971  0.23705658
   0.68104834  0.68877780  0.47170222
   0.85932450  0.65687732  0.89171891
   0.67714839  0.90983917  0.59862089
   0.88890595  0.89894958  0.75683304
   0.10167676  0.06950838  0.15789914
   0.38519670  0.17904059  0.28031130
   0.19952620  0.36336776  0.00464492
   0.40276367  0.43548500  0.35522210
   0.54073238  0.39511607  0.20018003
   0.27690176  0.38675135  0.18832768
   0.18716266  0.13464822  0.40640852
  -0.07000094  0.17941967  0.41385868
   0.04199220 -0.01984575  0.52394859
   0.48368569  0.24319234  0.76907355
   0.09497419  0.22377784  0.57294283
   0.35218898  0.47425844  0.83170824
   0.47448070  0.46690302  0.66267897
   0.22619265  0.34319143  0.70511860
   0.29418187  0.22226066 -0.11943330
   0.06424906  0.12024204  0.97710407
   0.16582929  0.59741828  0.09582106
   0.40507656  0.70678047  0.28440303
   0.10886969  0.83801666  0.04194547
   0.37465127  0.94343420  0.35187678
   0.39106878  0.91591808  0.16993506
   0.16488951  0.84439043  0.23355216
   0.36485302  0.64541784  0.45863033
   0.09443602  0.63947242  0.40316334
   0.25452822  0.44529858  0.53399835
   0.30090858  0.72963380  0.75061064
   0.16005798  0.73754254  0.55528216
   0.38189874  0.98934653  0.78320055
   0.52638484  0.87570489  0.63787848
   0.25064194  0.95760491  0.62377628
   0.27582776  0.66474196 -0.06398964
   0.01669109  0.64411686  0.93304677
   0.59479003  0.04957610  0.09819673
   0.84166891  0.20948146  0.23416613
   0.60437999  0.29439212  0.02301939
   0.89170662  0.47070976  0.34608447
   0.02869267  0.40098495  0.17211341
   0.77948178  0.43467872  0.11594905
   0.67151456  0.20122624  0.37771332
   0.44946645  0.13132200  0.46408101
   0.71016739  0.06670138  0.54949971
   0.89296269  0.25782561  0.83593512
   0.59701667  0.30991487  0.54136948
   0.83479748  0.51397029  0.84014091
   1.02721890  0.49152903  0.57470629
   0.73921271  0.36341828  0.69396059
   0.79431621  0.11019614  0.98047291
   0.54019829  0.07766589  0.91625432
   0.53845118  0.54311704  0.03767654
   0.89766112  0.72636322  0.27812477
   0.55220534  0.81795275  0.03589311
   0.80973400  0.97976546  0.31526663
   0.90531996  0.89566517  0.14004985
   0.65858840  0.82772918  0.21000426
   0.84913817  0.68886689  0.46454391
   0.61033625  0.60306615  0.38959925
   0.63470621  0.60612672  0.57581818
   0.81633763  0.77248225  0.81680940
   0.61665819  0.83081210  0.49225026
   0.94962362  1.00570640  0.83624485
   1.02097856  0.86254331  0.69161173
   0.75738103  0.96741888  0.70054415
   0.75829595  0.68257988  0.97965924
   0.51561214  0.68919725  0.86960743
   0.77954473  0.79930069  0.61704226
   0.39025555  0.69953541  0.49763579
   0.90816512  0.23094545  0.07051621
   0.84180861  0.41573453  0.39127058
   0.41785021  0.11821000  0.63780333
   0.28915704  0.98082991  0.95062138
   0.18703339  1.09221468  0.19038941
   0.30770285  1.15058392  0.06081251
   0.63748798  0.33680965  0.85731122
   0.70458240  0.66287233  0.62544945
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.602582    0.249125   -0.132074
    -0.000000    9.850722    0.032575
    -0.000000    0.000000   14.095546
   Si   O    H 
    32    64    10
Direct configuration=  3058
   0.21297758  0.20252008 -0.01932279
   0.34434448  0.09642933  0.37758711
   0.16664523  0.43033851  0.10787568
   0.40338833  0.34197206  0.25788123
   0.06992385  0.13061801  0.48476530
   0.41761878  0.12800700  0.83726012
   0.14414741  0.36644021  0.60394829
   0.38493983  0.37520639  0.74012627
   0.14556432  0.68687166  0.00058228
   0.44835959  0.59180478  0.36769269
   0.07907143  0.91193470  0.14289885
   0.32657749  0.84824574  0.26322701
   0.14068700  0.58593444  0.51231167
   0.36048904  0.63732567  0.83525332
   0.10977720  0.87979346  0.60033021
   0.39667679  0.96922422  0.67397741
   0.63009202  0.13318100  1.00168131
   0.81031068  0.14453793  0.33579890
   0.61296120  0.42105945  0.09534328
   0.89419427  0.31435099  0.15550428
   0.61177831  0.16982266  0.48389128
   0.92509276  0.12582943  0.90235967
   0.62420646  0.41571108  0.62012286
   0.76598152  0.36639986  0.81202073
   0.58520235  0.67979060 -0.02399236
   0.93120500  0.63235508  0.37012061
   0.55085157  0.90135277  0.13193486
   0.81998797  0.86019103  0.23656856
   0.68026811  0.68672382  0.47198356
   0.85927674  0.65704818  0.89155614
   0.67814856  0.90943015  0.59839823
   0.88895975  0.89857554  0.75587690
   0.10150581  0.07001475  0.15871851
   0.38380148  0.17863176  0.28009810
   0.19878860  0.36214293  0.00491600
   0.40235983  0.43389167  0.35480362
   0.53910896  0.39577696  0.19930249
   0.27739075  0.38506923  0.18849592
   0.18682329  0.13301528  0.40730037
  -0.07015546  0.17833572  0.41469808
   0.04234684 -0.01962736  0.52493373
   0.48354006  0.24133140  0.76967136
   0.09439883  0.22630833  0.57266602
   0.35300405  0.47523665  0.83287602
   0.47398734  0.46765139  0.66176043
   0.22690385  0.34271191  0.70494007
   0.29467684  0.22352039 -0.11905025
   0.06285544  0.12111846  0.97817566
   0.16578249  0.59555857  0.09558287
   0.40577902  0.70705792  0.28465578
   0.10884134  0.83715024  0.04138806
   0.37493263  0.94357084  0.35217967
   0.39277625  0.91697816  0.17059937
   0.16325267  0.84464940  0.23328481
   0.36400650  0.64439597  0.45921274
   0.09319891  0.63754007  0.40273022
   0.25426903  0.44660491  0.53304722
   0.30017695  0.73100301  0.75175671
   0.15939540  0.73712270  0.55529694
   0.38138302  0.98732499  0.78348148
   0.52595086  0.87593756  0.63987692
   0.25066221  0.95652706  0.62354493
   0.27479424  0.66410168 -0.06541076
   0.01662962  0.64346173  0.93233262
   0.59405696  0.04806352  0.09974419
   0.84251788  0.20990413  0.23345503
   0.60236457  0.29605758  0.02232507
   0.89016180  0.46952523  0.34557274
   0.02864422  0.40139952  0.17157630
   0.77897865  0.43595921  0.11693838
   0.67268880  0.20278554  0.37850375
   0.45096688  0.13178044  0.46466334
   0.71305819  0.06592634  0.54818759
   0.89298426  0.25655778  0.83477093
   0.59708973  0.30854460  0.54060978
   0.83405022  0.51580965  0.84126581
   1.02792817  0.49065025  0.57383761
   0.74173888  0.36465198  0.69389376
   0.79498249  0.10994331  0.97987106
   0.54054273  0.07685692  0.91629443
   0.53772434  0.54193488  0.03805700
   0.89789123  0.72652739  0.27906931
   0.55066437  0.81811670  0.03485233
   0.80998987  0.97955938  0.31506124
   0.90606532  0.89612446  0.14027270
   0.65789576  0.82879154  0.20974973
   0.85005797  0.68739980  0.46476476
   0.60940555  0.60346092  0.38926575
   0.63523828  0.60665238  0.57594950
   0.81554003  0.77309717  0.81739463
   0.61617117  0.83184694  0.49197743
   0.94912440  1.00429291  0.83631905
   1.02034912  0.86199502  0.69200538
   0.75549104  0.96680253  0.70048224
   0.75857019  0.68261530  0.97855362
   0.51451402  0.68937791  0.86913111
   0.78841491  0.79139564  0.61892842
   0.40010974  0.73085598  0.51166157
   0.90845673  0.23356204  0.06920543
   0.84377519  0.41971884  0.38457704
   0.41436976  0.12576155  0.64082965
   0.29195900  0.98422092  0.94716644
   0.18992186  1.09448760  0.18933179
   0.30150385  1.14548038  0.05566134
   0.63799165  0.33211613  0.86151425
   0.70385822  0.66191300  0.62344298
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.602309    0.250328   -0.132776
    -0.000000    9.852938    0.033596
    -0.000000    0.000000   14.096247
   Si   O    H 
    32    64    10
Direct configuration=  3059
   0.21171409  0.20230161 -0.01909373
   0.34291456  0.09726067  0.37738480
   0.16523522  0.43142261  0.10791805
   0.40265770  0.34192614  0.25802618
   0.07000720  0.13086813  0.48391656
   0.41929110  0.12727576  0.83724743
   0.14372195  0.36735304  0.60351465
   0.38449927  0.37513394  0.73998629
   0.14518560  0.68820580 -0.00009354
   0.44930925  0.59104693  0.36843411
   0.07930131  0.91193657  0.14335728
   0.32481547  0.84917205  0.26306798
   0.13955836  0.58620386  0.51207733
   0.36014579  0.63785046  0.83448136
   0.11030715  0.88020112  0.60040365
   0.39551607  0.96751956  0.67364156
   0.63034774  0.13426162  1.00193555
   0.81106677  0.14325677  0.33607319
   0.61225711  0.41949248  0.09520785
   0.89407123  0.31513684  0.15511905
   0.61182710  0.17094028  0.48360851
   0.92565133  0.12638035  0.90215807
   0.62405877  0.41589710  0.61904213
   0.76716461  0.36760808  0.81161563
   0.58497962  0.67962392 -0.02438228
   0.93066896  0.63116499  0.37019737
   0.55111561  0.90268092  0.13255538
   0.81918577  0.86035139  0.23584911
   0.67936925  0.68496364  0.47266676
   0.85976894  0.65704907  0.89142957
   0.67941057  0.90883963  0.59805986
   0.88872268  0.89814402  0.75481176
   0.10201854  0.07167957  0.15946437
   0.38238219  0.17832030  0.28023295
   0.19713159  0.36193713  0.00502605
   0.40219526  0.43351698  0.35446921
   0.53766478  0.39604956  0.19815532
   0.27845183  0.38454276  0.18894610
   0.18656559  0.13136578  0.40806827
  -0.06977607  0.17755328  0.41546396
   0.04236821 -0.01897057  0.52539492
   0.48374838  0.23970939  0.76946053
   0.09365111  0.22815590  0.57177033
   0.35368288  0.47582238  0.83347473
   0.47368402  0.46754954  0.66064863
   0.22691848  0.34259310  0.70422674
   0.29474661  0.22370270 -0.11910429
   0.06232743  0.12206735  0.97892712
   0.16545505  0.59382760  0.09532186
   0.40592752  0.70684954  0.28538636
   0.10965763  0.83667954  0.04077924
   0.37530147  0.94332041  0.35257643
   0.39429805  0.91772895  0.17169162
   0.16198560  0.84495226  0.23292440
   0.36477119  0.64435262  0.46042501
   0.09199612  0.63589166  0.40226652
   0.25339344  0.44665740  0.53171771
   0.29966333  0.73231639  0.75258425
   0.15809160  0.73576493  0.55512005
   0.38029467  0.98525692  0.78362615
   0.52530670  0.87685884  0.64204619
   0.25005984  0.95602225  0.62340285
   0.27448350  0.66349082 -0.06640555
   0.01634233  0.64288535  0.93156981
   0.59345592  0.04804278  0.10080885
   0.84341733  0.21046135  0.23256209
   0.60086437  0.29715533  0.02155896
   0.88964704  0.47061819  0.34476412
   0.02824366  0.40089465  0.17162539
   0.77796576  0.43602754  0.11794384
   0.67318438  0.20451862  0.37950765
   0.45240550  0.13225264  0.46529362
   0.71639782  0.06467664  0.54737723
   0.89255696  0.25474568  0.83344054
   0.59850793  0.30797095  0.53937813
   0.83294914  0.51709558  0.84242089
   1.02889909  0.48984328  0.57268407
   0.74519038  0.36541481  0.69401079
   0.79583773  0.11027201  0.97923130
   0.54078862  0.07651884  0.91585895
   0.53657356  0.54024777  0.03816417
   0.89830708  0.72635907  0.28029361
   0.54882877  0.81807172  0.03356722
   0.80997447  0.97987007  0.31521945
   0.90665399  0.89577318  0.14025527
   0.65675444  0.83051615  0.20941090
   0.85027009  0.68565687  0.46449612
   0.60894383  0.60350603  0.38879534
   0.63712840  0.60618484  0.57679288
   0.81494333  0.77332949  0.81781160
   0.61587997  0.83295818  0.49143155
   0.94799844  1.00237031  0.83617779
   1.02024965  0.86119988  0.69298854
   0.75377637  0.96671997  0.70056755
   0.75793765  0.68229003  0.97801356
   0.51429580  0.68935680  0.86916544
   0.79557425  0.78511519  0.61691989
   0.40304591  0.74404844  0.51736046
   0.91115411  0.23943073  0.06741388
   0.83016966  0.40849995  0.39055566
   0.41654658  0.12540900  0.64052493
   0.29482404  0.98285935  0.94328993
   0.18510890  1.09532532  0.18747453
   0.29622551  1.13913684  0.05281998
   0.63540121  0.33050847  0.86124179
   0.69624964  0.65385080  0.61764382
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.601873    0.251793   -0.133254
    -0.000000    9.855128    0.034803
    -0.000000    0.000000   14.096844
   Si   O    H 
    32    64    10
Direct configuration=  3060
   0.21028294  0.20189201 -0.01863252
   0.34222213  0.09781812  0.37778020
   0.16417838  0.43254446  0.10842537
   0.40184570  0.34211901  0.25785236
   0.06963965  0.13139688  0.48306607
   0.42107751  0.12707880  0.83768371
   0.14370319  0.36857893  0.60276200
   0.38370053  0.37524353  0.74010487
   0.14550225  0.69011767 -0.00064964
   0.44949537  0.59039833  0.36857841
   0.07885549  0.91177676  0.14369644
   0.32326917  0.84920182  0.26323114
   0.13877069  0.58640792  0.51167934
   0.35945867  0.63845695  0.83412453
   0.11042085  0.87958975  0.60065217
   0.39474342  0.96636079  0.67324319
   0.63076596  0.13519631  1.00263889
   0.81217207  0.14154746  0.33638599
   0.61185478  0.41842127  0.09548610
   0.89374946  0.31638728  0.15468095
   0.61227585  0.17171722  0.48371880
   0.92601985  0.12711249  0.90225773
   0.62335994  0.41605054  0.61853348
   0.76784552  0.36850375  0.81182867
   0.58477179  0.67970285 -0.02457628
   0.93075920  0.63030135  0.37036043
   0.55106020  0.90360472  0.13299721
   0.81801204  0.85988133  0.23506695
   0.67856483  0.68310523  0.47340809
   0.86039625  0.65681578  0.89154425
   0.67986223  0.90824289  0.59733171
   0.88875841  0.89746205  0.75382005
   0.10179477  0.07343499  0.15949562
   0.38079140  0.17852766  0.28051849
   0.19585051  0.36202635  0.00558924
   0.40205466  0.43308763  0.35397484
   0.53679602  0.39569560  0.19642969
   0.27854874  0.38482872  0.18900362
   0.18661955  0.12975131  0.40797562
  -0.06886137  0.17631163  0.41582020
   0.04148243 -0.01791249  0.52556275
   0.48445087  0.23804487  0.76940687
   0.09168539  0.23011555  0.57071318
   0.35489348  0.47553389  0.83332804
   0.47342420  0.46687197  0.65956769
   0.22685493  0.34316341  0.70339432
   0.29401802  0.22318223 -0.11915466
   0.06164166  0.12369132  0.97964878
   0.16481348  0.59235994  0.09474384
   0.40630396  0.70673015  0.28618598
   0.11111484  0.83615739  0.04053445
   0.37553219  0.94232066  0.35306020
   0.39569672  0.91845195  0.17255394
   0.16065663  0.84485763  0.23240911
   0.36572308  0.64509754  0.46214026
   0.09138876  0.63385111  0.40225245
   0.25215539  0.44627726  0.53035683
   0.29882549  0.73221249  0.75301654
   0.15668609  0.73424415  0.55502808
   0.37982076  0.98359225  0.78477079
   0.52478190  0.87773066  0.64359830
   0.25024830  0.95521435  0.62318895
   0.27438365  0.66326866 -0.06713854
   0.01659631  0.64247550  0.93090303
   0.59255975  0.04895497  0.10181953
   0.84326864  0.21014191  0.23203219
   0.59866385  0.29787823  0.02046042
   0.88851420  0.47201773  0.34408678
   0.02743219  0.40058232  0.17130646
   0.77645438  0.43643764  0.11947317
   0.67350564  0.20468865  0.37997933
   0.45319176  0.13319817  0.46633612
   0.71930933  0.06324595  0.54623140
   0.89243186  0.25318615  0.83246732
   0.59972345  0.30760308  0.53867617
   0.83149312  0.51766734  0.84321561
   1.02973657  0.48871888  0.57211025
   0.74810982  0.36473967  0.69413141
   0.79706545  0.11052421  0.97832255
   0.54155556  0.07594029  0.91525724
   0.53531459  0.53939660  0.03851634
   0.89830226  0.72603970  0.28093965
   0.54687634  0.81839377  0.03265726
   0.81014213  0.97938660  0.31580553
   0.90783908  0.89552900  0.14056786
   0.65615676  0.83191286  0.20918511
   0.85036415  0.68359244  0.46380823
   0.60815919  0.60305575  0.38881037
   0.63792558  0.60439621  0.57723090
   0.81491592  0.77325115  0.81814303
   0.61664246  0.83410612  0.49157685
   0.94805413  1.00114282  0.83551212
   1.02001845  0.86054336  0.69375337
   0.75311002  0.96695330  0.70130110
   0.75702074  0.68228818  0.97826153
   0.51527804  0.68904101  0.86900616
   0.79911158  0.78058890  0.61294475
   0.40036979  0.74325086  0.51608848
   0.91542279  0.24058270  0.06587546
   0.82224225  0.40789094  0.39050783
   0.41971593  0.11942236  0.64130079
   0.30110957  0.98198674  0.93974900
   0.19002701  1.10164448  0.19016678
   0.29624751  1.13035844  0.05379492
   0.63498660  0.33097606  0.86266378
   0.69700425  0.65294528  0.61894845
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.601283    0.253380   -0.133744
    -0.000000    9.857465    0.036060
    -0.000000    0.000000   14.097388
   Si   O    H 
    32    64    10
Direct configuration=  3061
   0.20919503  0.20147061 -0.01845835
   0.34240830  0.09801811  0.37806052
   0.16335525  0.43370283  0.10913551
   0.40062004  0.34272083  0.25756189
   0.06890336  0.13171579  0.48220615
   0.42235938  0.12688388  0.83831827
   0.14386054  0.37087447  0.60265775
   0.38266040  0.37608089  0.74023448
   0.14559625  0.69080283 -0.00146771
   0.44938344  0.58998028  0.36895659
   0.07865509  0.91165744  0.14409305
   0.32267917  0.84924696  0.26372575
   0.13922776  0.58638402  0.51150234
   0.35930960  0.63892667  0.83385512
   0.11027643  0.87867443  0.60092570
   0.39390783  0.96557050  0.67309846
   0.63207066  0.13687422  1.00358600
   0.81345707  0.13944031  0.33680771
   0.61128691  0.41713671  0.09587047
   0.89346397  0.31856104  0.15434202
   0.61225232  0.17190133  0.48352502
   0.92591309  0.12789643  0.90274946
   0.62317535  0.41568831  0.61826140
   0.76826003  0.36946750  0.81152407
   0.58437564  0.67927094 -0.02438608
   0.93101695  0.62920938  0.37093511
   0.55091405  0.90410328  0.13329828
   0.81669786  0.85884048  0.23433822
   0.67815756  0.68104909  0.47399138
   0.86137087  0.65653126  0.89200101
   0.68120359  0.90773352  0.59678196
   0.88846249  0.89674980  0.75304242
   0.10195299  0.07543904  0.15988004
   0.37947108  0.17822425  0.28029720
   0.19422842  0.36321200  0.00657558
   0.40211544  0.43347037  0.35339382
   0.53603526  0.39521086  0.19484191
   0.27847903  0.38567933  0.18876172
   0.18748553  0.12764077  0.40699644
  -0.06766225  0.17539012  0.41656064
   0.03999447 -0.01728099  0.52534145
   0.48396707  0.23660101  0.76892070
   0.08964581  0.23103233  0.56989909
   0.35627101  0.47448855  0.83316310
   0.47362243  0.46572602  0.65902142
   0.22705459  0.34367840  0.70242776
   0.29345163  0.22270261 -0.11885243
   0.06147921  0.12488913  0.98002382
   0.16352938  0.59181179  0.09414593
   0.40691614  0.70620875  0.28687678
   0.11208479  0.83635000  0.04062268
   0.37535354  0.94184324  0.35381863
   0.39654198  0.91864895  0.17301863
   0.15910425  0.84531317  0.23230633
   0.36710900  0.64713424  0.46395119
   0.09097329  0.63245573  0.40257957
   0.25035964  0.44661219  0.52906155
   0.29817122  0.73170288  0.75334833
   0.15639092  0.73291835  0.55532066
   0.37955190  0.98323103  0.78613118
   0.52485324  0.87752781  0.64474849
   0.25081257  0.95494161  0.62304660
   0.27425906  0.66325409 -0.06745327
   0.01608353  0.64266276  0.93032733
   0.59287078  0.05019385  0.10213252
   0.84317208  0.20976083  0.23153313
   0.59609143  0.29711266  0.01923833
   0.88718018  0.47220956  0.34365304
   0.02699877  0.40015219  0.17032410
   0.77552851  0.43616454  0.12098990
   0.67366020  0.20501175  0.38059968
   0.45454814  0.13431058  0.46653588
   0.72085908  0.06142468  0.54549114
   0.89236679  0.25178867  0.83127142
   0.60114635  0.30753892  0.53769589
   0.82998558  0.51709546  0.84315281
   1.03006615  0.48813560  0.57223336
   0.75057461  0.36463921  0.69396116
   0.79806526  0.11128604  0.97717730
   0.54185154  0.07579419  0.91483180
   0.53285838  0.54015073  0.03872617
   0.89812484  0.72519856  0.28132767
   0.54484513  0.81791335  0.03155516
   0.80995961  0.97916438  0.31662147
   0.90947570  0.89567319  0.14096859
   0.65509187  0.83371984  0.20914059
   0.85000050  0.68188671  0.46336906
   0.60800449  0.60198612  0.38847847
   0.63900655  0.60192705  0.57715581
   0.81508061  0.77424096  0.81763997
   0.61701078  0.83530624  0.49099323
   0.94856447  1.00116720  0.83499118
   1.02073459  0.85960873  0.69435747
   0.75230764  0.96791881  0.70278743
   0.75585153  0.68278058  0.97915044
   0.51564971  0.68832850  0.86936978
   0.79807633  0.77900109  0.60777038
   0.39319230  0.72809355  0.50424710
   0.91922410  0.24056855  0.06445754
   0.82610552  0.41539428  0.38449755
   0.42389770  0.11031403  0.64234066
   0.30747960  0.97955445  0.93468699
   0.19281985  1.10540022  0.19485444
   0.29481378  1.12298075  0.05614810
   0.63657126  0.33460974  0.86486248
   0.70128362  0.65726057  0.62669872
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.600679    0.255011   -0.134516
    -0.000000    9.859968    0.037730
    -0.000000    0.000000   14.098314
   Si   O    H 
    32    64    10
Direct configuration=  3062
   0.20890346  0.20137135 -0.01826684
   0.34339268  0.09894312  0.37842775
   0.16295403  0.43476340  0.11001270
   0.40014565  0.34309445  0.25715110
   0.06834788  0.13243158  0.48108676
   0.42308781  0.12639553  0.83867259
   0.14428500  0.37315776  0.60237815
   0.38240842  0.37677326  0.74027993
   0.14567481  0.69144627 -0.00195699
   0.44857540  0.58953874  0.36935477
   0.07771772  0.91184763  0.14396816
   0.32283626  0.84907336  0.26373809
   0.13954600  0.58624924  0.51164961
   0.35878780  0.63943890  0.83402371
   0.11049995  0.87666036  0.60106796
   0.39310030  0.96496430  0.67282120
   0.63382540  0.13854885  1.00445229
   0.81513161  0.13776908  0.33706724
   0.61094856  0.41657620  0.09641029
   0.89285726  0.32013839  0.15406732
   0.61224247  0.17134122  0.48355282
   0.92624774  0.12778346  0.90308217
   0.62305973  0.41560470  0.61782020
   0.76912059  0.37004387  0.81169134
   0.58368789  0.67844300 -0.02410849
   0.93111642  0.62771168  0.37164928
   0.55093065  0.90452122  0.13316812
   0.81524749  0.85794194  0.23340150
   0.67766556  0.67961165  0.47475647
   0.86218498  0.65663100  0.89234244
   0.68276812  0.90713370  0.59642912
   0.88816291  0.89634459  0.75256421
   0.10262387  0.07712002  0.16036240
   0.37800791  0.17846482  0.28015309
   0.19245918  0.36519318  0.00780025
   0.40264865  0.43357711  0.35289653
   0.53530274  0.39441330  0.19381039
   0.27773263  0.38654391  0.18870049
   0.18825402  0.12604240  0.40550092
  -0.06654617  0.17405261  0.41689903
   0.03941101 -0.01694995  0.52483670
   0.48314791  0.23605290  0.76863172
   0.08799253  0.23234515  0.56900778
   0.35753382  0.47334748  0.83272561
   0.47399903  0.46440360  0.65860502
   0.22756551  0.34498381  0.70143285
   0.29384593  0.22228999 -0.11808910
   0.06149783  0.12635467  0.98011952
   0.16171251  0.59171595  0.09398920
   0.40658111  0.70530857  0.28788530
   0.11272114  0.83676059  0.04128884
   0.37454491  0.94026944  0.35468955
   0.39817509  0.91795304  0.17409585
   0.15835666  0.84586663  0.23240843
   0.36746705  0.64937083  0.46578653
   0.09092636  0.63008831  0.40292705
   0.24805123  0.44682926  0.52731946
   0.29781142  0.73175803  0.75388242
   0.15552940  0.73205817  0.55572271
   0.37902009  0.98260732  0.78731870
   0.52576182  0.87601905  0.64586718
   0.25141654  0.95515398  0.62298022
   0.27500749  0.66365409 -0.06733914
   0.01622825  0.64307811  0.93016007
   0.59393524  0.05224623  0.10210960
   0.84273529  0.21004839  0.23055856
   0.59289591  0.29564790  0.01807990
   0.88609842  0.47225184  0.34320054
   0.02696894  0.40078515  0.16952197
   0.77426545  0.43584685  0.12186640
   0.67352649  0.20489360  0.38042866
   0.45525165  0.13576997  0.46566762
   0.72265847  0.05951259  0.54432477
   0.89179095  0.25095800  0.83038877
   0.60264300  0.30779236  0.53702506
   0.82794738  0.51626043  0.84246887
   1.02948421  0.48810138  0.57234469
   0.75255348  0.36451937  0.69356348
   0.79873065  0.11186381  0.97668966
   0.54134912  0.07606369  0.91458162
   0.53076009  0.54150636  0.03828668
   0.89792869  0.72482069  0.28162970
   0.54237075  0.81783205  0.03082035
   0.80967059  0.97878947  0.31711007
   0.91044640  0.89663495  0.14170057
   0.65447686  0.83478084  0.20918436
   0.84943860  0.68019079  0.46303209
   0.60934418  0.60083304  0.38843326
   0.64005308  0.59908560  0.57685630
   0.81528724  0.77445411  0.81655322
   0.61745270  0.83584226  0.49090387
   0.94870096  1.00065232  0.83421309
   1.02034454  0.85912273  0.69448185
   0.75084619  0.96811692  0.70325950
   0.75403567  0.68335784  0.97976083
   0.51610143  0.68779141  0.86980826
   0.79693457  0.78392894  0.60318698
   0.38352590  0.70843931  0.48727143
   0.91698433  0.24192053  0.06823376
   0.83528901  0.42860073  0.37702614
   0.42673530  0.10090833  0.64249031
   0.31228742  0.97754530  0.93062242
   0.18176574  1.10182698  0.19587919
   0.29133629  1.11779596  0.05559102
   0.64096370  0.34340170  0.86556878
   0.70350515  0.65512967  0.62929358
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.600783    0.256437   -0.135516
    -0.000000    9.862321    0.039686
    -0.000000    0.000000   14.099391
   Si   O    H 
    32    64    10
Direct configuration=  3063
   0.20946768  0.20060349 -0.01814734
   0.34443767  0.10011353  0.37875896
   0.16255758  0.43529378  0.11093943
   0.39961370  0.34296575  0.25673167
   0.06741463  0.13277130  0.48024890
   0.42313198  0.12617788  0.83938336
   0.14471073  0.37478233  0.60187470
   0.38196825  0.37716097  0.74094818
   0.14521446  0.69093025 -0.00228825
   0.44737390  0.58902223  0.36945544
   0.07736070  0.91233626  0.14362012
   0.32300748  0.84872576  0.26402430
   0.14008441  0.58523863  0.51191725
   0.35829225  0.63989495  0.83408060
   0.11053502  0.87466760  0.60118088
   0.39306429  0.96432235  0.67255827
   0.63531916  0.13982890  1.00514385
   0.81718657  0.13624963  0.33723506
   0.61113445  0.41612098  0.09668720
   0.89227422  0.32129096  0.15400083
   0.61241773  0.17013547  0.48359178
   0.92560634  0.12812196  0.90325641
   0.62285582  0.41597944  0.61748569
   0.76983959  0.37062889  0.81178924
   0.58320250  0.67842396 -0.02353807
   0.93201228  0.62574955  0.37233050
   0.55101026  0.90476672  0.13285476
   0.81402877  0.85741916  0.23273429
   0.67704532  0.67887885  0.47540508
   0.86241088  0.65676929  0.89273063
   0.68411543  0.90643917  0.59590391
   0.88751750  0.89624155  0.75250689
   0.10249661  0.07834297  0.16041103
   0.37662101  0.17862861  0.28012064
   0.19119771  0.36730405  0.00844915
   0.40255837  0.43463031  0.35199553
   0.53452036  0.39237436  0.19388479
   0.27729265  0.38742048  0.18831498
   0.18832017  0.12428082  0.40360502
  -0.06565543  0.17229703  0.41655898
   0.03865993 -0.01600371  0.52442558
   0.48164373  0.23607593  0.76781381
   0.08496620  0.23276759  0.56861063
   0.35879337  0.47171591  0.83161152
   0.47383151  0.46283799  0.65853101
   0.22730893  0.34593020  0.70005680
   0.29386776  0.22192527 -0.11733596
   0.06106125  0.12734125  0.97982238
   0.16095985  0.59225067  0.09416045
   0.40560593  0.70416833  0.28816055
   0.11292681  0.83712217  0.04195386
   0.37346109  0.93811381  0.35520542
   0.39968829  0.91756226  0.17489040
   0.15798151  0.84616907  0.23253211
   0.36665740  0.64590089  0.46550318
   0.09122430  0.62628831  0.40335746
   0.24544239  0.44733340  0.52548684
   0.29652313  0.73154449  0.75417404
   0.15352641  0.73153106  0.55598498
   0.37798954  0.98214636  0.78866373
   0.52750797  0.87489941  0.64687466
   0.25099701  0.95502409  0.62295120
   0.27680227  0.66356938 -0.06720241
   0.01587992  0.64372236  0.92966065
   0.59615175  0.05358202  0.10221036
   0.84180972  0.21026836  0.22968119
   0.59041790  0.29447467  0.01685976
   0.88761371  0.47298646  0.34157883
   0.02753826  0.40178223  0.16873330
   0.77306058  0.43549591  0.12203877
   0.67385602  0.20448605  0.38015841
   0.45573368  0.13656059  0.46438338
   0.72400846  0.05838282  0.54333347
   0.89203819  0.25099203  0.82951259
   0.60528576  0.30878132  0.53616690
   0.82549760  0.51466334  0.84177223
   1.02895687  0.48920018  0.57249039
   0.75380232  0.36411540  0.69314690
   0.79900702  0.11228181  0.97603625
   0.54151564  0.07601996  0.91447221
   0.52910405  0.54218925  0.03791326
   0.89790130  0.72492073  0.28176048
   0.53912433  0.81806009  0.03090204
   0.80911764  0.97800652  0.31697323
   0.91125036  0.89711165  0.14268760
   0.65306746  0.83628957  0.20927695
   0.84872163  0.67871448  0.46369495
   0.61133005  0.60030335  0.38806989
   0.64160458  0.59683244  0.57691467
   0.81627217  0.77475862  0.81562842
   0.61837692  0.83595196  0.48996648
   0.95003673  0.99943443  0.83335252
   1.01976160  0.85858213  0.69446362
   0.74941907  0.96810846  0.70343196
   0.75145623  0.68377138  0.98006748
   0.51632445  0.68691479  0.86981091
   0.79212907  0.79078572  0.59868282
   0.38962185  0.76849623  0.50153821
   0.91276201  0.24013590  0.07227206
   0.81879912  0.41622684  0.38918398
   0.43304184  0.09487066  0.64446942
   0.31293227  0.97656620  0.92622849
   0.17281006  1.10090805  0.19753008
   0.28633948  1.11862401  0.05603754
   0.64650144  0.35158405  0.86339311
   0.70039319  0.64967482  0.62637367
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.601419    0.257592   -0.136265
    -0.000000    9.864251    0.041475
    -0.000000    0.000000   14.100490
   Si   O    H 
    32    64    10
Direct configuration=  3064
   0.20985140  0.20027143 -0.01792239
   0.34623040  0.10092735  0.37909112
   0.16164784  0.43547500  0.11185902
   0.39922024  0.34330867  0.25634571
   0.06584554  0.13241323  0.47970456
   0.42328845  0.12545136  0.84001553
   0.14519102  0.37555263  0.60167710
   0.38159702  0.37769192  0.74194970
   0.14386421  0.69043439 -0.00255457
   0.44574578  0.58899333  0.36910846
   0.07665306  0.91290038  0.14309088
   0.32426900  0.84780028  0.26447885
   0.14093894  0.58502050  0.51217375
   0.35752927  0.64092208  0.83439632
   0.11094636  0.87315997  0.60148963
   0.39305886  0.96408000  0.67302359
   0.63706570  0.14102515  1.00569668
   0.81877147  0.13496986  0.33698240
   0.61083971  0.41569053  0.09683384
   0.89175861  0.32189074  0.15390404
   0.61293754  0.16804194  0.48333850
   0.92522617  0.12837253  0.90322255
   0.62309742  0.41617898  0.61769996
   0.77087936  0.37097400  0.81181188
   0.58299692  0.67878042 -0.02295400
   0.93270063  0.62390465  0.37294060
   0.55090318  0.90485073  0.13242906
   0.81287945  0.85689928  0.23235682
   0.67710525  0.67884744  0.47577416
   0.86186436  0.65717421  0.89284943
   0.68527747  0.90625595  0.59583406
   0.88693129  0.89657299  0.75274863
   0.10195703  0.07820421  0.15973869
   0.37528522  0.17990985  0.27993511
   0.19039381  0.36867054  0.00877270
   0.40292754  0.43588914  0.35057917
   0.53375721  0.39014844  0.19400463
   0.27641177  0.38730654  0.18774436
   0.18822309  0.12300081  0.40215984
  -0.06451444  0.17101911  0.41638376
   0.03804227 -0.01507367  0.52431865
   0.47959240  0.23696233  0.76684833
   0.08164411  0.23386152  0.56808026
   0.35946530  0.47037888  0.83095658
   0.47446607  0.46043725  0.65843107
   0.22637540  0.34647688  0.69949842
   0.29351933  0.22134210 -0.11713145
   0.06079669  0.12793803  0.97903414
   0.15976378  0.59367081  0.09367764
   0.40379257  0.70327689  0.28817686
   0.11376545  0.83813136  0.04240758
   0.37148756  0.93627868  0.35529746
   0.40127713  0.91757120  0.17569906
   0.15784457  0.84602595  0.23301959
   0.36648593  0.64343865  0.46583393
   0.09144797  0.62271600  0.40414241
   0.24378744  0.44806740  0.52384466
   0.29515572  0.73167882  0.75434041
   0.15196225  0.73121791  0.55696656
   0.37707838  0.98229123  0.78952971
   0.52954891  0.87360410  0.64761386
   0.25031001  0.95471885  0.62246006
   0.27779781  0.66439642 -0.06685137
   0.01662594  0.64469134  0.92842134
   0.59811316  0.05406117  0.10267309
   0.84152551  0.21056086  0.22965139
   0.58852485  0.29425440  0.01537329
   0.88886011  0.47273279  0.34005697
   0.02805538  0.40304169  0.16848627
   0.77133877  0.43555664  0.12193534
   0.67522243  0.20411777  0.38052805
   0.45528164  0.13661568  0.46298226
   0.72521247  0.05752503  0.54166050
   0.89272550  0.25122685  0.82878769
   0.60848782  0.30970145  0.53598570
   0.82439029  0.51324122  0.84059791
   1.02742137  0.49074004  0.57266934
   0.75443462  0.36457548  0.69203957
   0.79985990  0.11342091  0.97518285
   0.54255256  0.07613294  0.91435732
   0.52818292  0.54389002  0.03779385
   0.89742715  0.72530402  0.28174921
   0.53608838  0.81842970  0.03150341
   0.80877816  0.97660177  0.31713016
   0.91117797  0.89695493  0.14360659
   0.65137876  0.83725072  0.20921118
   0.84797971  0.67768617  0.46440234
   0.61271032  0.59949791  0.38732120
   0.64327281  0.59470108  0.57696789
   0.81753103  0.77539979  0.81522463
   0.61991756  0.83706555  0.48948560
   0.95016470  0.99772911  0.83285056
   1.01905512  0.85752470  0.69473054
   0.74805400  0.96764420  0.70341277
   0.75012073  0.68492180  0.98018445
   0.51658587  0.68674331  0.86972359
   0.78416403  0.79627934  0.59653376
   0.39241090  0.80814528  0.51127203
   0.90951567  0.23851310  0.07672889
   0.81157400  0.41254183  0.39577707
   0.44275371  0.09792459  0.64419260
   0.31126264  0.97906761  0.92399362
   0.18563816  1.10457394  0.21031009
   0.28141049  1.12169100  0.05592481
   0.64726284  0.35703369  0.86287396
   0.69444666  0.64190786  0.62516332
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.601878    0.258988   -0.137003
    -0.000000    9.866217    0.042935
    -0.000000    0.000000   14.101516
   Si   O    H 
    32    64    10
Direct configuration=  3065
   0.21018374  0.20066137 -0.01770792
   0.34751100  0.10090158  0.37903225
   0.16093896  0.43560789  0.11231529
   0.39928420  0.34326729  0.25596305
   0.06454716  0.13214498  0.47971206
   0.42315742  0.12504389  0.84036676
   0.14549632  0.37605403  0.60124716
   0.38141801  0.37787104  0.74256933
   0.14245754  0.68990122 -0.00247773
   0.44374035  0.58846226  0.36906103
   0.07646012  0.91338645  0.14277509
   0.32546306  0.84711517  0.26549229
   0.14203765  0.58452899  0.51205003
   0.35737074  0.64182940  0.83512668
   0.11116706  0.87228519  0.60156528
   0.39355499  0.96398420  0.67340917
   0.63920277  0.14135294  1.00608586
   0.82036081  0.13477518  0.33650744
   0.61049775  0.41550953  0.09741554
   0.89140195  0.32220881  0.15357248
   0.61354432  0.16618740  0.48326166
   0.92561289  0.12885623  0.90350998
   0.62293387  0.41633380  0.61782159
   0.77201769  0.37094569  0.81187623
   0.58259981  0.67892554 -0.02236508
   0.93334439  0.62158101  0.37273174
   0.55110100  0.90505046  0.13160840
   0.81150935  0.85667233  0.23253212
   0.67700254  0.67953509  0.47555501
   0.86104569  0.65819574  0.89290226
   0.68675463  0.90619079  0.59543982
   0.88640724  0.89717368  0.75356400
   0.10312119  0.07775892  0.15915795
   0.37360456  0.17983939  0.27978872
   0.18898336  0.36977200  0.00973721
   0.40311937  0.43737727  0.34920785
   0.53290832  0.38793417  0.19533205
   0.27634213  0.38738089  0.18747064
   0.18797956  0.12204871  0.40092221
  -0.06302444  0.16978095  0.41553709
   0.03792168 -0.01456124  0.52497881
   0.47749873  0.23751316  0.76617508
   0.07880854  0.23503766  0.56790807
   0.36073303  0.46927399  0.83006018
   0.47447169  0.45847733  0.65852441
   0.22570474  0.34670489  0.69915896
   0.29354065  0.22044515 -0.11687212
   0.06068993  0.12870825  0.97787870
   0.15807600  0.59525334  0.09358419
   0.40181065  0.70217466  0.28830025
   0.11542881  0.83891663  0.04284544
   0.36951213  0.93564453  0.35546413
   0.40269715  0.91808266  0.17664186
   0.15813127  0.84559903  0.23332969
   0.36657760  0.64114542  0.46621941
   0.09202992  0.61842103  0.40448870
   0.24183217  0.44836588  0.52174234
   0.29247328  0.73217798  0.75404177
   0.15053643  0.73114106  0.55759452
   0.37630926  0.98256299  0.78983064
   0.53163366  0.87166790  0.64793562
   0.24973698  0.95510946  0.62203448
   0.27786872  0.66570710 -0.06594621
   0.01832123  0.64618143  0.92753004
   0.59960133  0.05449543  0.10260375
   0.84102205  0.21004856  0.22966054
   0.58616918  0.29362235  0.01388791
   0.88961031  0.47166721  0.33886319
   0.02951168  0.40339036  0.16854101
   0.76979550  0.43604851  0.12161977
   0.67611350  0.20297724  0.38081083
   0.45388788  0.13671760  0.46140314
   0.72601304  0.05655044  0.54026454
   0.89306323  0.25165532  0.82854192
   0.61099841  0.31149555  0.53639065
   0.82345581  0.51253149  0.84020575
   1.02568396  0.49163598  0.57245824
   0.75348121  0.36528862  0.69121551
   0.80097650  0.11417174  0.97479747
   0.54310454  0.07593142  0.91453930
   0.52856462  0.54449117  0.03754931
   0.89619074  0.72587732  0.28150826
   0.53372664  0.81942399  0.03271489
   0.80854714  0.97520176  0.31686384
   0.91133093  0.89694388  0.14474318
   0.65016173  0.83827299  0.20901233
   0.84655522  0.67662141  0.46487531
   0.61390090  0.59772233  0.38653815
   0.64433398  0.59187413  0.57715926
   0.81889068  0.77495323  0.81524806
   0.62113554  0.83781005  0.48954129
   0.95040956  0.99648804  0.83236807
   1.01862917  0.85727545  0.69498632
   0.74726468  0.96680470  0.70307928
   0.74930244  0.68581959  0.97993751
   0.51747559  0.68612383  0.86980299
   0.78046772  0.79630434  0.59491218
   0.39159398  0.83518810  0.51682027
   0.90462784  0.23425830  0.07626176
   0.81465286  0.41818808  0.39405716
   0.44872829  0.10339112  0.64194078
   0.30461537  0.98229149  0.92223144
   0.18362472  1.10070087  0.21317447
   0.28013837  1.12930079  0.05640189
   0.64429341  0.36164787  0.86514512
   0.69286692  0.64213410  0.62841120
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.602238    0.260933   -0.137532
    -0.000000    9.867852    0.044945
    -0.000000    0.000000   14.102777
   Si   O    H 
    32    64    10
Direct configuration=  3066
   0.20994988  0.20104816 -0.01779243
   0.34824371  0.09976076  0.37882540
   0.15989150  0.43546850  0.11236713
   0.39898361  0.34332477  0.25557335
   0.06391743  0.13106727  0.47950627
   0.42343363  0.12435485  0.84091057
   0.14538701  0.37624022  0.60055163
   0.38160603  0.37767676  0.74252385
   0.14102442  0.68918926 -0.00222315
   0.44144180  0.58788263  0.36942041
   0.07639769  0.91419922  0.14261276
   0.32652839  0.84658454  0.26642178
   0.14287627  0.58435071  0.51213231
   0.35677238  0.64224980  0.83560704
   0.11148244  0.87192520  0.60167536
   0.39385020  0.96432570  0.67376238
   0.64081389  0.14115944  1.00607047
   0.82155775  0.13490568  0.33586396
   0.61000896  0.41575194  0.09741858
   0.89116612  0.32292399  0.15357727
   0.61465765  0.16495003  0.48313635
   0.92567388  0.12900615  0.90299963
   0.62324892  0.41675115  0.61861034
   0.77382917  0.37077864  0.81175829
   0.58199584  0.67911525 -0.02126891
   0.93374621  0.62010367  0.37250454
   0.55086162  0.90538668  0.13050380
   0.81088128  0.85580595  0.23287588
   0.67673143  0.67967427  0.47487074
   0.85989210  0.65856114  0.89283320
   0.68816880  0.90628846  0.59475612
   0.88579321  0.89754497  0.75433918
   0.10496600  0.07726131  0.15907781
   0.37265918  0.18020823  0.28001505
   0.18774553  0.37077430  0.01012404
   0.40370742  0.43919889  0.34790427
   0.53269883  0.38482958  0.19676129
   0.27601197  0.38703521  0.18699396
   0.18746718  0.12125370  0.39992093
  -0.06136670  0.16867049  0.41480943
   0.03812847 -0.01481875  0.52544535
   0.47569080  0.23764819  0.76461387
   0.07531113  0.23561691  0.56737494
   0.36239795  0.46872634  0.82964094
   0.47464748  0.45593553  0.65903458
   0.22459131  0.34555083  0.69838393
   0.29377453  0.21949641 -0.11613806
   0.05979160  0.12974646  0.97649747
   0.15625179  0.59781201  0.09312610
   0.40034472  0.70038175  0.28806209
   0.11713559  0.83955669  0.04265284
   0.36755758  0.93536512  0.35542292
   0.40365698  0.91816990  0.17769304
   0.15946619  0.84581014  0.23402817
   0.36606905  0.63941646  0.46642310
   0.09202860  0.61478076  0.40387532
   0.24119382  0.44757206  0.51982706
   0.28975628  0.73263841  0.75311939
   0.14959968  0.73120597  0.55828840
   0.37537406  0.98303387  0.79007262
   0.53361225  0.86929071  0.64837729
   0.24836581  0.95562366  0.62098224
   0.27744410  0.66783188 -0.06482630
   0.01932280  0.64722829  0.92648299
   0.60067162  0.05508069  0.10249628
   0.84045486  0.20926068  0.22990499
   0.58419636  0.29318823  0.01288228
   0.88927500  0.47001580  0.33788100
   0.03000650  0.40296548  0.16856591
   0.76843423  0.43696629  0.12122901
   0.67772902  0.20196972  0.38076044
   0.45129432  0.13708911  0.45965858
   0.72653108  0.05545072  0.53892530
   0.89361497  0.25164767  0.82859006
   0.61298579  0.31276665  0.53688240
   0.82283108  0.51233767  0.83974327
   1.02471273  0.49314668  0.57209281
   0.75282666  0.36562110  0.69034157
   0.80077136  0.11471662  0.97483771
   0.54450304  0.07594397  0.91481517
   0.52920941  0.54488931  0.03755769
   0.89436373  0.72668422  0.28171545
   0.53099405  0.82069636  0.03411613
   0.80831102  0.97374963  0.31666760
   0.91094969  0.89672954  0.14577386
   0.64873545  0.83870222  0.20923729
   0.84583687  0.67524187  0.46533066
   0.61519980  0.59533689  0.38599420
   0.64478972  0.58875639  0.57754565
   0.82015747  0.77360414  0.81560978
   0.62167709  0.83811101  0.48930825
   0.95040738  0.99548082  0.83182460
   1.01845424  0.85712839  0.69486633
   0.74668063  0.96738316  0.70289668
   0.74916239  0.68571689  0.97950872
   0.51899790  0.68544848  0.86992726
   0.78573779  0.78661785  0.59383513
   0.38778125  0.85288609  0.51797687
   0.90189097  0.22984366  0.07466908
   0.82699956  0.43034367  0.38454278
   0.45668370  0.10726538  0.64057084
   0.29456007  0.98193232  0.92327842
   0.17144683  1.09234444  0.20978244
   0.28517757  1.13382258  0.05839908
   0.63838510  0.36323913  0.86601690
   0.69159110  0.64635982  0.63190534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.602890    0.262524   -0.138075
    -0.000000    9.869658    0.046672
    -0.000000    0.000000   14.104327
   Si   O    H 
    32    64    10
Direct configuration=  3067
   0.21032641  0.20155656 -0.01816010
   0.34890481  0.09790687  0.37840559
   0.15942137  0.43575317  0.11242383
   0.39886540  0.34281944  0.25542000
   0.06317576  0.12919474  0.47926687
   0.42314200  0.12400552  0.84137664
   0.14546230  0.37595780  0.59941919
   0.38193963  0.37760911  0.74238788
   0.13967859  0.68799158 -0.00196211
   0.43965491  0.58819786  0.37021302
   0.07637711  0.91519643  0.14194934
   0.32773430  0.84621274  0.26714773
   0.14284506  0.58456671  0.51223726
   0.35602392  0.64302991  0.83577252
   0.11161337  0.87209066  0.60103482
   0.39467277  0.96467238  0.67425935
   0.64172088  0.14082124  1.00570158
   0.82301474  0.13483624  0.33533140
   0.60941978  0.41571463  0.09723294
   0.89059849  0.32349099  0.15374293
   0.61605651  0.16379263  0.48365545
   0.92519064  0.12895169  0.90209301
   0.62377788  0.41686126  0.61968773
   0.77603621  0.37034888  0.81145186
   0.58161384  0.67911998 -0.02010396
   0.93397034  0.61797987  0.37205410
   0.55109645  0.90593494  0.13006210
   0.81014436  0.85514547  0.23347336
   0.67647507  0.67946096  0.47431081
   0.85896278  0.65882221  0.89319390
   0.68941461  0.90669041  0.59435933
   0.88528679  0.89843972  0.75510304
   0.10762581  0.07699708  0.15910400
   0.37180455  0.18101099  0.28031864
   0.18660451  0.37119440  0.01007572
   0.40388105  0.44029799  0.34651132
   0.53258342  0.38121743  0.19716872
   0.27536571  0.38724494  0.18699864
   0.18731832  0.12091172  0.39959850
  -0.06064140  0.16786362  0.41391887
   0.03824337 -0.01640785  0.52591849
   0.47345646  0.23779871  0.76320011
   0.07286346  0.23586514  0.56729326
   0.36487273  0.46943901  0.82877376
   0.47462576  0.45339720  0.66016042
   0.22346122  0.34454237  0.69749984
   0.29444685  0.21924655 -0.11577171
   0.05909601  0.13122391  0.97488611
   0.15447467  0.59960611  0.09256920
   0.39853376  0.69804351  0.28734626
   0.11862973  0.84041303  0.04257481
   0.36516446  0.93633910  0.35562871
   0.40354086  0.91788926  0.17905357
   0.16106615  0.84546823  0.23516213
   0.36572529  0.63821768  0.46669219
   0.09260339  0.61092711  0.40347140
   0.24056463  0.44743422  0.51804988
   0.28757246  0.73303367  0.75202224
   0.14856817  0.73097970  0.55914001
   0.37371781  0.98351522  0.79013175
   0.53486503  0.86632713  0.64841494
   0.24720988  0.95641124  0.62003183
   0.27714348  0.66928663 -0.06377532
   0.01951245  0.64807260  0.92557417
   0.60270969  0.05611605  0.10208780
   0.83961626  0.20829733  0.23001546
   0.58300787  0.29330464  0.01225028
   0.88852693  0.46862817  0.33704214
   0.02990900  0.40262249  0.16805621
   0.76776582  0.43880711  0.12066078
   0.67895235  0.20078258  0.38028438
   0.44937857  0.13784127  0.45878142
   0.72610557  0.05479621  0.53843016
   0.89401204  0.25171271  0.82903880
   0.61565552  0.31371916  0.53749448
   0.82174720  0.51337913  0.84027955
   1.02394285  0.49417797  0.57187945
   0.75323120  0.36616704  0.68972794
   0.79968697  0.11569468  0.97487986
   0.54570645  0.07628045  0.91563007
   0.53015293  0.54549350  0.03766676
   0.89356222  0.72656228  0.28241011
   0.52885894  0.82162123  0.03466247
   0.80790540  0.97229306  0.31659948
   0.91068060  0.89619088  0.14720865
   0.64718904  0.83884717  0.20967933
   0.84482223  0.67422480  0.46570672
   0.61650573  0.59312977  0.38557187
   0.64512088  0.58620015  0.57817981
   0.82081451  0.77228791  0.81574579
   0.62310151  0.83779385  0.48884734
   0.95017549  0.99563403  0.83187695
   1.01762702  0.85676903  0.69413354
   0.74588881  0.96809529  0.70292895
   0.75010735  0.68583806  0.97896041
   0.52037149  0.68451355  0.87031116
   0.78966300  0.77770314  0.59678548
   0.38424636  0.86454681  0.51418404
   0.90234178  0.22647584  0.07360944
   0.84126752  0.44199440  0.37347145
   0.45962287  0.10472490  0.64256782
   0.28282959  0.98221685  0.92559578
   0.16280318  1.08410411  0.20637911
   0.29114575  1.13622038  0.06046149
   0.63402401  0.36379045  0.86628652
   0.68780027  0.64603950  0.63155794
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.603788    0.263925   -0.138475
    -0.000000    9.871793    0.048357
    -0.000000    0.000000   14.105476
   Si   O    H 
    32    64    10
Direct configuration=  3068
   0.21074370  0.20183265 -0.01848678
   0.34897438  0.09588288  0.37756423
   0.15957108  0.43627752  0.11233574
   0.39903141  0.34225928  0.25487159
   0.06249929  0.12741836  0.47956537
   0.42319432  0.12321292  0.84210501
   0.14474057  0.37625002  0.59819977
   0.38134419  0.37753096  0.74192085
   0.13861389  0.68679652 -0.00181020
   0.43806982  0.58881790  0.37107233
   0.07624435  0.91659789  0.14117791
   0.32858922  0.84569191  0.26793376
   0.14255677  0.58411924  0.51197010
   0.35480212  0.64416368  0.83571347
   0.11214844  0.87232570  0.60069212
   0.39559556  0.96503108  0.67449538
   0.64154090  0.14023866  1.00529434
   0.82475918  0.13433530  0.33465695
   0.60890899  0.41486641  0.09679148
   0.88968398  0.32370265  0.15371118
   0.61778367  0.16302851  0.48432846
   0.92463502  0.12831381  0.90099473
   0.62441281  0.41729097  0.62072141
   0.77729393  0.37002851  0.81109727
   0.58065952  0.67953095 -0.01891275
   0.93372924  0.61583915  0.37111289
   0.55088275  0.90735725  0.12925647
   0.80917173  0.85462465  0.23442715
   0.67630766  0.67932211  0.47431471
   0.85732528  0.65871710  0.89359537
   0.69038497  0.90750222  0.59387061
   0.88523458  0.89930268  0.75565488
   0.10841882  0.07679205  0.15795822
   0.37183083  0.18188055  0.28025812
   0.18617406  0.37101011  0.00944362
   0.40449152  0.44017272  0.34533002
   0.53326756  0.37821747  0.19717887
   0.27570175  0.38835485  0.18666231
   0.18663336  0.12139790  0.39899733
  -0.06039385  0.16717246  0.41268511
   0.03857655 -0.01805721  0.52626097
   0.47180249  0.23772033  0.76207223
   0.06991079  0.23582162  0.56667119
   0.36690878  0.47197333  0.82809542
   0.47376292  0.45075230  0.66084526
   0.22283421  0.34433152  0.69647692
   0.29502253  0.21894841 -0.11541368
   0.05854887  0.13127456  0.97315566
   0.15244464  0.60066577  0.09227666
   0.39654699  0.69553473  0.28649693
   0.12024944  0.84150621  0.04284967
   0.36313127  0.93793491  0.35529595
   0.40240250  0.91808828  0.18014285
   0.16234672  0.84547571  0.23694905
   0.36546930  0.63767817  0.46765826
   0.09358620  0.60775365  0.40252672
   0.23979236  0.44699005  0.51685793
   0.28600734  0.73272815  0.75091014
   0.14804978  0.73037712  0.55941673
   0.37304073  0.98490470  0.78981496
   0.53596260  0.86497070  0.64849487
   0.24674987  0.95677809  0.61893616
   0.27738291  0.67121882 -0.06315584
   0.02007185  0.64869983  0.92483447
   0.60518813  0.05724004  0.10154976
   0.83849466  0.20832770  0.23042764
   0.58107074  0.29368450  0.01209443
   0.89100455  0.46936897  0.33428849
   0.02824574  0.40157919  0.16734468
   0.76777617  0.44006656  0.12030169
   0.67985095  0.19976229  0.37952267
   0.44876441  0.13836887  0.45788690
   0.72512486  0.05492141  0.53804993
   0.89394189  0.25188012  0.82960569
   0.61771319  0.31420742  0.53795923
   0.82078102  0.51457494  0.84091528
   1.02358277  0.49532169  0.57159946
   0.75310051  0.36708749  0.68986722
   0.79828811  0.11632999  0.97500814
   0.54662819  0.07662012  0.91647456
   0.53065300  0.54585949  0.03849400
   0.89289589  0.72647717  0.28355013
   0.52740071  0.82166204  0.03498624
   0.80678988  0.97134801  0.31672576
   0.90952892  0.89598047  0.14836877
   0.64581300  0.83845357  0.20953944
   0.84365687  0.67322081  0.46590583
   0.61733372  0.59125494  0.38515666
   0.64612181  0.58350254  0.57843380
   0.82148993  0.77135859  0.81548628
   0.62467494  0.83655575  0.48843728
   0.95007962  0.99697348  0.83200738
   1.01650209  0.85642020  0.69313633
   0.74530073  0.96832148  0.70258314
   0.75203564  0.68616984  0.97851739
   0.52213301  0.68366510  0.87079370
   0.79320425  0.77604382  0.59989367
   0.38457202  0.87608062  0.50870933
   0.90435940  0.22909402  0.07266968
   0.80940024  0.42123914  0.39842497
   0.46369376  0.10043983  0.64388463
   0.26998523  0.98380013  0.92913705
   0.17871944  1.07654931  0.22312428
   0.29676889  1.13740293  0.06224241
   0.63754077  0.35844299  0.86510130
   0.67954347  0.64595745  0.62846352
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.604949    0.265345   -0.138864
    -0.000000    9.874296    0.050470
    -0.000000    0.000000   14.106207
   Si   O    H 
    32    64    10
Direct configuration=  3069
   0.21176893  0.20228276 -0.01845496
   0.34948004  0.09443059  0.37642908
   0.16011288  0.43748562  0.11201273
   0.39958878  0.34185069  0.25490300
   0.06249159  0.12533728  0.47995627
   0.42329327  0.12208159  0.84301834
   0.14376682  0.37632699  0.59697510
   0.38120512  0.37758034  0.74161125
   0.13853628  0.68569084 -0.00164115
   0.43685955  0.58957517  0.37172370
   0.07662352  0.91741444  0.14070108
   0.32893544  0.84538950  0.26852832
   0.14242359  0.58405448  0.51197429
   0.35466587  0.64534180  0.83569335
   0.11197290  0.87285909  0.60039051
   0.39642421  0.96513694  0.67497182
   0.64053081  0.14042592  1.00509021
   0.82616748  0.13387117  0.33423093
   0.60792144  0.41416896  0.09609650
   0.88875647  0.32339693  0.15337430
   0.61951349  0.16235703  0.48491988
   0.92408303  0.12819031  0.89984820
   0.62516340  0.41748983  0.62111400
   0.77856700  0.36954704  0.81035536
   0.57944202  0.68017981 -0.01780641
   0.93297513  0.61452041  0.37037901
   0.55034293  0.90847414  0.12868602
   0.80864505  0.85379156  0.23565285
   0.67591023  0.67958586  0.47388742
   0.85634756  0.65911166  0.89419081
   0.69054735  0.90797065  0.59316619
   0.88514385  0.89999371  0.75615897
   0.10936018  0.07612237  0.15767257
   0.37181898  0.18174711  0.28001311
   0.18572355  0.36987880  0.00883147
   0.40483635  0.43939603  0.34403664
   0.53444287  0.37586390  0.19686738
   0.27550672  0.38869998  0.18611547
   0.18562682  0.12216414  0.39911327
  -0.06053299  0.16647712  0.41178760
   0.03833186 -0.02009026  0.52631791
   0.47041935  0.23758136  0.76153729
   0.06756017  0.23624532  0.56616581
   0.36915448  0.47382121  0.82845518
   0.47243048  0.44890507  0.66157939
   0.22309832  0.34409054  0.69582220
   0.29511746  0.21857080 -0.11528687
   0.05811900  0.13168746  0.97133494
   0.14990585  0.60075718  0.09247150
   0.39368139  0.69356848  0.28548174
   0.12178307  0.84248749  0.04220826
   0.36081534  0.93932709  0.35485708
   0.40217422  0.91881022  0.18122982
   0.16279305  0.84545055  0.23865148
   0.36526730  0.63702649  0.46847708
   0.09411881  0.60443499  0.40172210
   0.23920442  0.44572539  0.51582585
   0.28484464  0.73157405  0.74944032
   0.14810246  0.73000256  0.55987146
   0.37319453  0.98638322  0.78896242
   0.53694624  0.86377942  0.64868900
   0.24654373  0.95782746  0.61832349
   0.27897759  0.67250241 -0.06159071
   0.02032484  0.64993287  0.92430936
   0.60717778  0.05851924  0.10123544
   0.83701097  0.20840972  0.23161030
   0.57884893  0.29402780  0.01235697
   0.89301464  0.47034209  0.33230856
   0.02659492  0.40031362  0.16733758
   0.76773340  0.44094145  0.12013320
   0.68046503  0.19953859  0.37867624
   0.44914453  0.13862255  0.45738520
   0.72396552  0.05515640  0.53770751
   0.89331264  0.25244164  0.83000660
   0.61858258  0.31391913  0.53758152
   0.82016313  0.51642341  0.84163654
   1.02333769  0.49643740  0.57174050
   0.75357165  0.36873968  0.69032286
   0.79685450  0.11640914  0.97504307
   0.54699460  0.07638429  0.91716968
   0.53148054  0.54595516  0.03966650
   0.89229449  0.72646784  0.28438342
   0.52638275  0.82181656  0.03456638
   0.80588746  0.97147083  0.31652979
   0.90868391  0.89648397  0.14915756
   0.64542207  0.83750454  0.20947210
   0.84371283  0.67294769  0.46553219
   0.61703178  0.58969592  0.38494826
   0.64662672  0.58003513  0.57877399
   0.82166496  0.76960362  0.81490227
   0.62571341  0.83560520  0.48804327
   0.94997188  0.99793489  0.83178918
   1.01547913  0.85583238  0.69283115
   0.74499964  0.96912882  0.70193121
   0.75458121  0.68622531  0.97820316
   0.52396871  0.68240944  0.87103026
   0.79050879  0.77796229  0.60287107
   0.38874035  0.88204603  0.50272005
   0.90658657  0.23705629  0.07338227
   0.79057118  0.40951989  0.41529280
   0.46430819  0.09173442  0.64312215
   0.25641491  0.98607889  0.93196564
   0.18682811  1.07131041  0.22938810
   0.30266167  1.14082446  0.06333907
   0.64469772  0.35307247  0.86219622
   0.67004573  0.64759534  0.62647656
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.606049    0.266799   -0.139003
    -0.000000    9.876909    0.053205
    -0.000000    0.000000   14.106863
   Si   O    H 
    32    64    10
Direct configuration=  3070
   0.21291913  0.20239777 -0.01865795
   0.34968684  0.09365865  0.37532134
   0.16102984  0.43865481  0.11108906
   0.39952802  0.34139369  0.25504194
   0.06276533  0.12322469  0.48046161
   0.42280025  0.12172860  0.84364806
   0.14252554  0.37595764  0.59607548
   0.38146934  0.37764043  0.74167476
   0.13852251  0.68464024 -0.00135773
   0.43568765  0.59055607  0.37252625
   0.07701336  0.91788252  0.14043848
   0.32931717  0.84479813  0.26863255
   0.14302973  0.58355580  0.51186407
   0.35447409  0.64612102  0.83575916
   0.11198363  0.87350276  0.60047243
   0.39728848  0.96503968  0.67564060
   0.63926289  0.14036824  1.00494757
   0.82730063  0.13330121  0.33371086
   0.60636574  0.41336918  0.09544343
   0.88796259  0.32292578  0.15325237
   0.62146919  0.16238529  0.48540127
   0.92369731  0.12690824  0.89931359
   0.62579698  0.41794713  0.62172867
   0.77980646  0.36891219  0.80976785
   0.57825288  0.68154977 -0.01718909
   0.93218129  0.61395495  0.36958240
   0.54904068  0.90932933  0.12789787
   0.80829972  0.85357515  0.23699347
   0.67536989  0.67991117  0.47347095
   0.85546186  0.65936492  0.89455870
   0.69042829  0.90809229  0.59263105
   0.88508839  0.90030147  0.75647898
   0.11136725  0.07541377  0.15795990
   0.37381860  0.18227638  0.27942857
   0.18485941  0.36838430  0.00803130
   0.40565588  0.43948271  0.34220765
   0.53603065  0.37283947  0.19558327
   0.27540030  0.38887100  0.18600831
   0.18487212  0.12294451  0.39969941
  -0.06148022  0.16598756  0.41134161
   0.03757386 -0.02179511  0.52604897
   0.46943887  0.23701336  0.76068667
   0.06586229  0.23607574  0.56582841
   0.37102264  0.47559199  0.82908254
   0.47216547  0.44731697  0.66202641
   0.22316152  0.34402269  0.69583817
   0.29561699  0.21832462 -0.11547360
   0.05766817  0.13262617  0.96963272
   0.14820081  0.60113243  0.09281806
   0.39115268  0.69194955  0.28419971
   0.12459427  0.84338874  0.04136081
   0.35930383  0.93988540  0.35484191
   0.40230493  0.91948377  0.18193397
   0.16391456  0.84509609  0.24072841
   0.36515751  0.63651307  0.46908293
   0.09502606  0.60147720  0.40078045
   0.24011654  0.44353604  0.51453379
   0.28400484  0.72980633  0.74759086
   0.14786088  0.72989812  0.55990205
   0.37404328  0.98771355  0.78756585
   0.53766758  0.86277364  0.64910793
   0.24667972  0.95981810  0.61822247
   0.28048287  0.67355867 -0.05992028
   0.02057057  0.65122057  0.92374220
   0.60932685  0.05946680  0.10095507
   0.83633739  0.20919462  0.23218891
   0.57687635  0.29397352  0.01295601
   0.89252949  0.47032207  0.33086121
   0.02407577  0.39867600  0.16742991
   0.76768543  0.44200419  0.12022400
   0.68140716  0.19955043  0.37781522
   0.45063826  0.13813098  0.45706401
   0.72271296  0.05513667  0.53747838
   0.89201505  0.25269786  0.82994336
   0.62041286  0.31318295  0.53697714
   0.81945101  0.51856359  0.84254143
   1.02355005  0.49730030  0.57190197
   0.75373273  0.37045923  0.69039773
   0.79512789  0.11689184  0.97478885
   0.54722065  0.07640410  0.91767925
   0.53377048  0.54662095  0.04100730
   0.89167188  0.72662002  0.28555236
   0.52496857  0.82170109  0.03375385
   0.80525142  0.97090200  0.31694881
   0.90741691  0.89649026  0.14956975
   0.64567377  0.83593811  0.20891437
   0.84324628  0.67147154  0.46539363
   0.61667146  0.58730316  0.38496585
   0.64677827  0.57548407  0.57883945
   0.82144974  0.76895985  0.81460413
   0.62605700  0.83420840  0.48755842
   0.95006179  0.99901844  0.83215820
   1.01461828  0.85600418  0.69247189
   0.74525862  0.97010294  0.70091925
   0.75648504  0.68677469  0.97852827
   0.52573719  0.68195349  0.87113443
   0.78510731  0.78329894  0.60482991
   0.39265259  0.88605821  0.49778148
   0.90886782  0.24255159  0.07113723
   0.78327880  0.40374208  0.41908133
   0.46751392  0.08939765  0.64335557
   0.24507716  0.99229974  0.93589281
   0.18634456  1.06627924  0.22499623
   0.30659485  1.14545743  0.06174935
   0.65032731  0.34555558  0.85835495
   0.65986920  0.65331049  0.63181052
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.607216    0.268687   -0.138937
    -0.000000    9.879487    0.055452
    -0.000000    0.000000   14.107468
   Si   O    H 
    32    64    10
Direct configuration=  3071
   0.21370583  0.20278730 -0.01870921
   0.35002527  0.09313543  0.37415046
   0.16185952  0.43993188  0.10991133
   0.39933482  0.34123275  0.25536066
   0.06314414  0.12122046  0.48083224
   0.42226661  0.12145636  0.84419648
   0.14093404  0.37494212  0.59554405
   0.38155518  0.37742013  0.74199174
   0.13881566  0.68435176 -0.00131594
   0.43540119  0.59134410  0.37324163
   0.07681586  0.91751694  0.14002669
   0.32925495  0.84454358  0.26877111
   0.14336927  0.58298376  0.51168819
   0.35447256  0.64721830  0.83570167
   0.11199764  0.87412363  0.60068309
   0.39835843  0.96428394  0.67604294
   0.63781202  0.14005250  1.00471078
   0.82786075  0.13264382  0.33344526
   0.60468967  0.41276682  0.09482562
   0.88636705  0.32186181  0.15325864
   0.62339123  0.16275852  0.48565475
   0.92289510  0.12584868  0.89888808
   0.62669017  0.41852508  0.62234768
   0.78063817  0.36848261  0.80924772
   0.57745977  0.68258063 -0.01668042
   0.93160260  0.61354800  0.36881663
   0.54837594  0.91020056  0.12702356
   0.80801030  0.85354837  0.23837530
   0.67470899  0.68008592  0.47337892
   0.85517572  0.65928881  0.89470091
   0.69068902  0.90843481  0.59245633
   0.88410901  0.90018999  0.75637298
   0.11413913  0.07460891  0.15896069
   0.37514212  0.18211358  0.27903699
   0.18406067  0.36722499  0.00746726
   0.40647582  0.43946850  0.34080780
   0.53752888  0.37027601  0.19431947
   0.27480581  0.38894772  0.18642739
   0.18324879  0.12329143  0.40034961
  -0.06202402  0.16508358  0.41106899
   0.03689678 -0.02438551  0.52576725
   0.46772123  0.23533691  0.76029344
   0.06482438  0.23585842  0.56486284
   0.37192173  0.47797857  0.82958541
   0.47246484  0.44570370  0.66293316
   0.22411000  0.34498836  0.69578050
   0.29580425  0.21745552 -0.11546226
   0.05825864  0.13354646  0.96800425
   0.14661015  0.60099261  0.09323437
   0.38801044  0.69032074  0.28278981
   0.12727482  0.84359674  0.04047107
   0.35921200  0.93976256  0.35554250
   0.40167240  0.92038636  0.18268990
   0.16442945  0.84514154  0.24203274
   0.36405960  0.63649600  0.47024258
   0.09530031  0.59936194  0.39995636
   0.24103784  0.44145982  0.51384558
   0.28342939  0.72758894  0.74588432
   0.14764540  0.72904477  0.55973825
   0.37467526  0.98964900  0.78635534
   0.53726289  0.86132074  0.65016350
   0.24709774  0.96176821  0.61849782
   0.28218513  0.67416292 -0.05874013
   0.01996040  0.65241534  0.92299806
   0.61085182  0.05944693  0.10071738
   0.83517398  0.21014229  0.23271718
   0.57540304  0.29391788  0.01342893
   0.89113207  0.46851938  0.32931089
   0.02180256  0.39777079  0.16733226
   0.76671872  0.44319886  0.12044260
   0.68214823  0.19918622  0.37745982
   0.45288956  0.13764228  0.45795768
   0.72075870  0.05504154  0.53755076
   0.89179452  0.25355196  0.82998894
   0.62131382  0.31210947  0.53622004
   0.81956614  0.52091414  0.84410374
   1.02353688  0.49773646  0.57268767
   0.75364044  0.37141257  0.69063850
   0.79492707  0.11808384  0.97419300
   0.54767495  0.07624809  0.91770572
   0.53627176  0.54752271  0.04210088
   0.89150780  0.72658595  0.28710761
   0.52360716  0.82165200  0.03310473
   0.80396815  0.97090646  0.31754667
   0.90680334  0.89635754  0.14967195
   0.64572574  0.83475010  0.20818021
   0.84253798  0.67052452  0.46512748
   0.61575867  0.58505961  0.38503724
   0.64767784  0.57181821  0.57897944
   0.82136343  0.76976947  0.81444224
   0.62624175  0.83269790  0.48723768
   0.94985545  0.99907445  0.83237316
   1.01348467  0.85611559  0.69188087
   0.74518275  0.97010693  0.70013622
   0.75764875  0.68780696  0.97937250
   0.52650188  0.68116535  0.87177609
   0.77824459  0.79051947  0.60335613
   0.39647318  0.88591283  0.49092321
   0.91038120  0.24655978  0.06569770
   0.78471407  0.40346556  0.41487858
   0.46829897  0.08856387  0.64450718
   0.23781434  1.00141667  0.93741857
   0.17216938  1.06346267  0.20996206
   0.30699021  1.14923057  0.06071761
   0.65455406  0.33911178  0.85269345
   0.64858910  0.64919035  0.63247702
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.608210    0.270302   -0.139259
    -0.000000    9.882105    0.057888
    -0.000000    0.000000   14.108139
   Si   O    H 
    32    64    10
Direct configuration=  3072
   0.21466858  0.20328416 -0.01882846
   0.35002145  0.09351001  0.37318309
   0.16246322  0.44062721  0.10902803
   0.39941090  0.34077484  0.25546767
   0.06468253  0.11925045  0.48141093
   0.42183975  0.12185356  0.84438581
   0.13961520  0.37362418  0.59493539
   0.38163484  0.37673173  0.74188022
   0.13876110  0.68445545 -0.00161692
   0.43512714  0.59222158  0.37391855
   0.07685670  0.91656445  0.13980869
   0.32918977  0.84377955  0.26852005
   0.14398293  0.58239413  0.51103624
   0.35510407  0.64879270  0.83584102
   0.11211152  0.87442481  0.60109804
   0.39936829  0.96353982  0.67629852
   0.63652870  0.14005976  1.00477265
   0.82841056  0.13231523  0.33345533
   0.60286264  0.41164841  0.09421236
   0.88427088  0.32112219  0.15335580
   0.62533658  0.16395142  0.48512755
   0.92189922  0.12477820  0.89894534
   0.62727445  0.41935515  0.62292178
   0.78143347  0.36869814  0.80854036
   0.57693242  0.68322315 -0.01656161
   0.93090306  0.61248795  0.36829918
   0.54828754  0.91127366  0.12637620
   0.80814294  0.85328687  0.23965228
   0.67388212  0.67977836  0.47336853
   0.85463157  0.65952238  0.89436302
   0.69011902  0.90892248  0.59209021
   0.88301140  0.89956101  0.75589659
   0.11663755  0.07318087  0.15878881
   0.37722669  0.18239493  0.27858738
   0.18267726  0.36646351  0.00741874
   0.40657079  0.43943360  0.34010616
   0.53902105  0.36754449  0.19247839
   0.27453371  0.38941082  0.18713462
   0.18241367  0.12322782  0.40131554
  -0.06280312  0.16463440  0.41105302
   0.03580238 -0.02703446  0.52522135
   0.46643224  0.23321026  0.76002031
   0.06482997  0.23574788  0.56417412
   0.37210084  0.48070619  0.83057425
   0.47363584  0.44379387  0.66315054
   0.22456505  0.34670273  0.69546016
   0.29579805  0.21686168 -0.11611735
   0.05854980  0.13440028  0.96693934
   0.14441876  0.60148311  0.09442306
   0.38555285  0.68909970  0.28153853
   0.12918495  0.84396523  0.04010982
   0.35960778  0.93877020  0.35690818
   0.40052951  0.92278550  0.18334916
   0.16458951  0.84520644  0.24273077
   0.36325408  0.63680003  0.47087966
   0.09589038  0.59769818  0.39906169
   0.24143990  0.43947495  0.51378240
   0.28371575  0.72553142  0.74410066
   0.14787885  0.72861566  0.55941049
   0.37445808  0.99153693  0.78521977
   0.53646613  0.85941480  0.65164534
   0.24845571  0.96351777  0.61874187
   0.28460367  0.67453303 -0.05777338
   0.01977341  0.65389989  0.92247793
   0.61214800  0.05908684  0.10088340
   0.83319189  0.21119079  0.23293897
   0.57410329  0.29435113  0.01437572
   0.88983861  0.46669128  0.32867312
   0.02019889  0.39697631  0.16729478
   0.76535094  0.44442495  0.12073562
   0.68320447  0.19870277  0.37695988
   0.45554193  0.13689458  0.45912382
   0.71815366  0.05474308  0.53714954
   0.89196938  0.25403726  0.83051404
   0.62292585  0.31127101  0.53586784
   0.81930315  0.52266595  0.84520199
   1.02374919  0.49872838  0.57367046
   0.75306480  0.37275111  0.69075733
   0.79471796  0.11867387  0.97346143
   0.54757494  0.07607677  0.91718412
   0.53833874  0.54800625  0.04320956
   0.89203464  0.72678904  0.28862601
   0.52229023  0.82135969  0.03235863
   0.80267950  0.97179181  0.31874336
   0.90636130  0.89574376  0.14996871
   0.64607202  0.83374469  0.20698947
   0.84258130  0.66901186  0.46509672
   0.61462584  0.58285394  0.38555260
   0.64881478  0.56898099  0.57901624
   0.82209399  0.77115248  0.81423011
   0.62683103  0.83131834  0.48689980
   0.94982298  0.99884906  0.83276121
   1.01278904  0.85523269  0.69106532
   0.74539428  0.96957510  0.69933596
   0.75783259  0.68889475  0.98065651
   0.52680027  0.68038419  0.87224506
   0.77835605  0.79264574  0.60125553
   0.39914362  0.88301391  0.48856200
   0.91151899  0.24941401  0.06158272
   0.79254546  0.41100476  0.40245298
   0.46728349  0.08677756  0.64527541
   0.23596375  1.00635867  0.93932464
   0.17524647  1.06704636  0.20522054
   0.30517351  1.15131974  0.06021442
   0.65308992  0.32908865  0.85096506
   0.63745927  0.63990840  0.62966477
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.609269    0.271789   -0.139592
    -0.000000    9.884657    0.059633
    -0.000000    0.000000   14.109640
   Si   O    H 
    32    64    10
Direct configuration=  3073
   0.21476693  0.20379170 -0.01882197
   0.34954918  0.09425512  0.37259264
   0.16277594  0.44111681  0.10847390
   0.39942147  0.34035912  0.25499944
   0.06552518  0.11712715  0.48155098
   0.42152579  0.12263946  0.84413178
   0.13853157  0.37241953  0.59448558
   0.38151530  0.37562810  0.74175529
   0.13868435  0.68492011 -0.00221031
   0.43551724  0.59364732  0.37425808
   0.07697330  0.91509525  0.14005967
   0.32940171  0.84317934  0.26816131
   0.14494269  0.58173765  0.51004868
   0.35583492  0.65020120  0.83576504
   0.11286274  0.87425492  0.60154997
   0.40069347  0.96328852  0.67610912
   0.63537498  0.14003893  1.00453577
   0.82788128  0.13255951  0.33300034
   0.60130422  0.41059212  0.09329900
   0.88200414  0.32026995  0.15403635
   0.62688505  0.16514408  0.48486424
   0.92118935  0.12404267  0.89911892
   0.62756093  0.41968402  0.62325228
   0.78243183  0.36966921  0.80795914
   0.57584933  0.68376617 -0.01615779
   0.93040043  0.61188806  0.36832219
   0.54853194  0.91264805  0.12590494
   0.80846463  0.85289323  0.24099912
   0.67401749  0.67937000  0.47343276
   0.85438382  0.65955228  0.89362468
   0.68930097  0.90921115  0.59146289
   0.88209098  0.89884030  0.75569491
   0.11708747  0.07169134  0.15761917
   0.37904570  0.18239624  0.27849272
   0.18230883  0.36476917  0.00720876
   0.40651310  0.43950446  0.33983780
   0.54052657  0.36495253  0.19088425
   0.27467004  0.39142908  0.18766186
   0.18165327  0.12347384  0.40164912
  -0.06310636  0.16477908  0.41127819
   0.03500768 -0.02963722  0.52413775
   0.46532332  0.23074676  0.75998980
   0.06409547  0.23573304  0.56340329
   0.37231406  0.48358451  0.83153821
   0.47385641  0.44290368  0.66318379
   0.22473316  0.34836745  0.69509180
   0.29513622  0.21580319 -0.11690499
   0.05914270  0.13509672  0.96598234
   0.14196528  0.60184333  0.09543798
   0.38378125  0.68918983  0.28056739
   0.13035807  0.84554006  0.04019747
   0.36061257  0.93823295  0.35820968
   0.39942604  0.92578968  0.18395968
   0.16398783  0.84493346  0.24309165
   0.36287822  0.63728535  0.47146298
   0.09626160  0.59669491  0.39792699
   0.24168594  0.43770406  0.51416526
   0.28381819  0.72348047  0.74279692
   0.14730762  0.72920807  0.55885871
   0.37397448  0.99321285  0.78401224
   0.53529903  0.85745325  0.65272104
   0.25005635  0.96535629  0.61933524
   0.28621193  0.67441609 -0.05668978
   0.02023079  0.65500503  0.92129138
   0.61358497  0.05833046  0.10068633
   0.83228875  0.21133615  0.23347917
   0.57292800  0.29412206  0.01535928
   0.88740211  0.46410070  0.32834771
   0.01975618  0.39749195  0.16710768
   0.76432734  0.44569991  0.12025740
   0.68410493  0.19847143  0.37597613
   0.45846229  0.13605231  0.46074650
   0.71619172  0.05397973  0.53655285
   0.89241329  0.25372840  0.83105830
   0.62413357  0.31042540  0.53571868
   0.81860907  0.52332871  0.84570024
   1.02472513  0.49998620  0.57449539
   0.75282456  0.37531777  0.69168855
   0.79439026  0.11950441  0.97274418
   0.54762550  0.07614675  0.91643761
   0.54110433  0.54902966  0.04415180
   0.89166960  0.72762123  0.29013095
   0.52095620  0.82129677  0.03212624
   0.80149122  0.97261152  0.31970122
   0.90548921  0.89433587  0.15012616
   0.64683513  0.83329259  0.20652663
   0.84246221  0.66743122  0.46480068
   0.61268812  0.58127602  0.38607955
   0.65043483  0.56700142  0.57897839
   0.82332253  0.77251437  0.81442098
   0.62669948  0.83077165  0.48643090
   0.95019719  0.99863982  0.83350884
   1.01200305  0.85487491  0.68996569
   0.74644894  0.96873690  0.69869475
   0.75726646  0.68933173  0.98232572
   0.52701899  0.67913442  0.87199286
   0.78494472  0.79049343  0.60063941
   0.40179377  0.88298270  0.48833741
   0.90929625  0.25028641  0.06118176
   0.80909105  0.42539013  0.37990847
   0.46676302  0.09125560  0.64277414
   0.23942913  1.00929474  0.94275940
   0.20130094  1.07263564  0.21759249
   0.30301283  1.15010491  0.06069611
   0.64849096  0.32038288  0.85222601
   0.63061264  0.63219473  0.62800163
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.610404    0.273452   -0.139448
    -0.000000    9.886899    0.061392
    -0.000000    0.000000   14.111073
   Si   O    H 
    32    64    10
Direct configuration=  3074
   0.21461216  0.20375777 -0.01889675
   0.34904087  0.09507864  0.37229342
   0.16315856  0.44161303  0.10784492
   0.39990847  0.33988412  0.25414513
   0.06648282  0.11494796  0.48152693
   0.42203610  0.12276721  0.84334485
   0.13784152  0.37182010  0.59375189
   0.38081657  0.37513654  0.74181199
   0.13883948  0.68547446 -0.00295070
   0.43514537  0.59503729  0.37444460
   0.07687159  0.91311721  0.14040948
   0.32921636  0.84231983  0.26782023
   0.14566381  0.58050609  0.50923789
   0.35639047  0.65200016  0.83600093
   0.11358076  0.87368124  0.60199084
   0.40211230  0.96231447  0.67572867
   0.63440325  0.13958738  1.00461181
   0.82750235  0.13291688  0.33239986
   0.60003792  0.40972049  0.09254167
   0.88005482  0.31897972  0.15445097
   0.62776829  0.16636912  0.48443132
   0.92093471  0.12316967  0.89925613
   0.62752184  0.41909303  0.62383191
   0.78272960  0.37062156  0.80755972
   0.57504991  0.68391263 -0.01587266
   0.92996991  0.61113787  0.36860392
   0.54860750  0.91395942  0.12525849
   0.80919301  0.85302116  0.24228070
   0.67464395  0.67972285  0.47370895
   0.85380324  0.65979280  0.89320970
   0.68812866  0.90938626  0.59075962
   0.88117939  0.89867116  0.75561596
   0.11841694  0.07039565  0.15700684
   0.38109571  0.18247613  0.27826207
   0.18272893  0.36266479  0.00701475
   0.40735839  0.43990155  0.33981152
   0.54149118  0.36249724  0.18984306
   0.27459719  0.39328106  0.18764122
   0.18195654  0.12337375  0.40178472
  -0.06389515  0.16446694  0.41166801
   0.03476768 -0.03254248  0.52302254
   0.46537636  0.22861244  0.76023501
   0.06294721  0.23593314  0.56232838
   0.37267860  0.48533891  0.83260751
   0.47354475  0.44173865  0.66347791
   0.22490339  0.34994578  0.69414873
   0.29423082  0.21489827 -0.11744904
   0.05963564  0.13581376  0.96501513
   0.13942474  0.60201237  0.09661608
   0.38273452  0.68896332  0.28025128
   0.13138477  0.84637212  0.04024356
   0.36132294  0.93678701  0.35936943
   0.39951452  0.92779999  0.18480730
   0.16281573  0.84531859  0.24245464
   0.36206068  0.63816997  0.47221933
   0.09644827  0.59563818  0.39656687
   0.24121350  0.43535305  0.51496952
   0.28422744  0.72113879  0.74166864
   0.14665084  0.73004511  0.55837728
   0.37290800  0.99584999  0.78335415
   0.53395470  0.85584675  0.65375332
   0.25179017  0.96720732  0.61976124
   0.28780107  0.67470499 -0.05624010
   0.02033858  0.65622563  0.92024700
   0.61454275  0.05736823  0.10026951
   0.83091360  0.21152038  0.23411671
   0.57294888  0.29308502  0.01580071
   0.88366883  0.46123260  0.32859530
   0.02081628  0.39855802  0.16700876
   0.76295361  0.44635503  0.11922897
   0.68514904  0.19801002  0.37525620
   0.46122402  0.13509977  0.46254913
   0.71443882  0.05342838  0.53605230
   0.89328629  0.25368889  0.83181769
   0.62490841  0.30980751  0.53619254
   0.81808529  0.52282809  0.84631594
   1.02577836  0.50112928  0.57576571
   0.75331566  0.37755478  0.69316287
   0.79371347  0.12039225  0.97233606
   0.54678467  0.07582790  0.91582017
   0.54317760  0.55036909  0.04549666
   0.89136025  0.72845885  0.29100995
   0.51926684  0.82151779  0.03216807
   0.80001034  0.97383097  0.31989916
   0.90568510  0.89341583  0.15022894
   0.64789329  0.83235389  0.20532922
   0.84249961  0.66561415  0.46416870
   0.61178014  0.57955661  0.38723253
   0.65281594  0.56588699  0.57863749
   0.82446587  0.77415488  0.81469211
   0.62651937  0.83024350  0.48603713
   0.95037359  0.99805630  0.83483113
   1.01069672  0.85479490  0.68943005
   0.74702836  0.96770431  0.69846233
   0.75552469  0.68955762  0.98425352
   0.52636252  0.67756305  0.87152562
   0.79150711  0.78649207  0.60147070
   0.40493189  0.88347131  0.48985321
   0.90517625  0.25207928  0.06622547
   0.83248968  0.44191942  0.35416154
   0.46468466  0.09657090  0.63965290
   0.24423573  1.00810491  0.94457922
   0.21225385  1.07616001  0.22096504
   0.30539987  1.14577474  0.06339786
   0.63934759  0.31647683  0.84987194
   0.62275807  0.63323999  0.62987901
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.611501    0.275604   -0.139481
    -0.000000    9.889467    0.062994
    -0.000000    0.000000   14.112769
   Si   O    H 
    32    64    10
Direct configuration=  3075
   0.21375427  0.20374582 -0.01918143
   0.34868685  0.09591870  0.37256228
   0.16337663  0.44212032  0.10746986
   0.40028264  0.33927371  0.25328814
   0.06790741  0.11383750  0.48153676
   0.42181229  0.12270584  0.84288857
   0.13781231  0.37134884  0.59337561
   0.38027035  0.37451650  0.74213370
   0.13945688  0.68692202 -0.00332923
   0.43512885  0.59608223  0.37461918
   0.07643948  0.91178210  0.14065747
   0.32884181  0.84165805  0.26788014
   0.14654792  0.57968574  0.50832498
   0.35689553  0.65300965  0.83640880
   0.11378402  0.87353736  0.60202924
   0.40382130  0.96137293  0.67514691
   0.63379095  0.13923841  1.00435887
   0.82625860  0.13338334  0.33162723
   0.59913967  0.40907182  0.09191070
   0.87855409  0.31771242  0.15450193
   0.62823265  0.16817458  0.48366437
   0.92030573  0.12279714  0.89917003
   0.62689387  0.41792039  0.62424988
   0.78210267  0.37165901  0.80734409
   0.57406873  0.68443798 -0.01590031
   0.92949213  0.61028898  0.36880837
   0.54911338  0.91526411  0.12458683
   0.81035116  0.85378971  0.24322719
   0.67495367  0.67955396  0.47401553
   0.85299930  0.66075473  0.89283564
   0.68686065  0.90925615  0.59018619
   0.88026741  0.89879659  0.75591616
   0.12029198  0.07023128  0.15684978
   0.38293243  0.18279007  0.27801436
   0.18342863  0.36108654  0.00725035
   0.40795921  0.44025386  0.34041193
   0.54225230  0.36047253  0.18923479
   0.27410300  0.39484006  0.18729993
   0.18272225  0.12404054  0.40195402
  -0.06380012  0.16323868  0.41211371
   0.03459249 -0.03499415  0.52201318
   0.46579444  0.22699341  0.76022421
   0.06176483  0.23584000  0.56122059
   0.37243088  0.48675722  0.83290736
   0.47335481  0.44075756  0.66338267
   0.22504504  0.35125729  0.69324035
   0.29328369  0.21471171 -0.11807734
   0.06021490  0.13617246  0.96439488
   0.13839060  0.60191027  0.09738161
   0.38160932  0.68845288  0.28029689
   0.13224121  0.84670695  0.04018150
   0.36150962  0.93551618  0.36054866
   0.39964049  0.92950173  0.18528898
   0.16109890  0.84502267  0.24208879
   0.36205173  0.63918229  0.47266859
   0.09603652  0.59479154  0.39486129
   0.24039732  0.43263014  0.51511007
   0.28531872  0.71932765  0.74128897
   0.14496384  0.73058968  0.55740957
   0.37177070  0.99717585  0.78318372
   0.53239881  0.85309241  0.65470929
   0.25267012  0.96857918  0.62004714
   0.28872407  0.67540191 -0.05594629
   0.02072399  0.65851933  0.91944536
   0.61551709  0.05693958  0.10018442
   0.83051170  0.21155704  0.23412314
   0.57305971  0.29160551  0.01624367
   0.88398950  0.46079913  0.32680449
   0.02244731  0.40003231  0.16692870
   0.76205322  0.44728286  0.11858515
   0.68584936  0.19759399  0.37422371
   0.46319995  0.13304447  0.46360908
   0.71342970  0.05292779  0.53581062
   0.89450357  0.25336895  0.83287954
   0.62573777  0.31076543  0.53711500
   0.81755517  0.52170534  0.84677103
   1.02631623  0.50239173  0.57639661
   0.75401710  0.37935266  0.69382087
   0.79318492  0.12048098  0.97234701
   0.54583233  0.07483064  0.91523863
   0.54502787  0.55226618  0.04633988
   0.89055464  0.72868791  0.29183052
   0.51800919  0.82191011  0.03213154
   0.79879506  0.97404381  0.32042831
   0.90634183  0.89131012  0.15034288
   0.64869525  0.83107250  0.20363303
   0.84381891  0.66438914  0.46328887
   0.61116439  0.57855925  0.38856132
   0.65469542  0.56590499  0.57832080
   0.82499981  0.77588203  0.81505218
   0.62655677  0.83075336  0.48540373
   0.95027168  0.99839145  0.83559753
   1.00965542  0.85507180  0.68902727
   0.74799220  0.96678036  0.69831676
   0.75268325  0.68963036  0.98597005
   0.52603099  0.67535537  0.87110970
   0.79835099  0.78473838  0.60162207
   0.40948858  0.88153842  0.49444661
   0.90107391  0.24952110  0.07073065
   0.77487838  0.42274030  0.36917024
   0.46138691  0.09833002  0.63649881
   0.24828409  1.00444462  0.94801561
   0.21053765  1.07900993  0.21538992
   0.30549037  1.14699138  0.06486620
   0.63391043  0.31654082  0.84698090
   0.61748448  0.63324694  0.62796704
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.612405    0.278396   -0.139170
    -0.000000    9.892384    0.064804
    -0.000000    0.000000   14.114851
   Si   O    H 
    32    64    10
Direct configuration=  3076
   0.21269563  0.20404861 -0.01925052
   0.34771603  0.09657804  0.37293034
   0.16317391  0.44211099  0.10721337
   0.40047349  0.33896448  0.25249372
   0.06908696  0.11273335  0.48145303
   0.42188124  0.12262880  0.84223016
   0.13739811  0.37130609  0.59244727
   0.37981211  0.37447935  0.74259567
   0.13967133  0.68797925 -0.00352707
   0.43520481  0.59641408  0.37447969
   0.07636888  0.91064465  0.14110943
   0.32847913  0.84097141  0.26827072
   0.14763473  0.57925315  0.50712858
   0.35754987  0.65377163  0.83723977
   0.11445016  0.87381366  0.60207769
   0.40584828  0.96064051  0.67430226
   0.63419842  0.13929141  1.00347413
   0.82483445  0.13424875  0.33053721
   0.59893982  0.40899021  0.09116590
   0.87750981  0.31717609  0.15409904
   0.62851523  0.16990560  0.48259388
   0.91991026  0.12279197  0.89964259
   0.62657917  0.41639469  0.62462142
   0.78082494  0.37266795  0.80763547
   0.57328519  0.68458473 -0.01595844
   0.92812237  0.60986342  0.36880600
   0.54961677  0.91605545  0.12407274
   0.81152957  0.85425817  0.24392160
   0.67568257  0.67843884  0.47389897
   0.85195796  0.66140288  0.89240657
   0.68567336  0.90907862  0.59012538
   0.87958646  0.89899330  0.75611170
   0.12200860  0.06984011  0.15679134
   0.38449899  0.18256461  0.27803793
   0.18364162  0.35991291  0.00802522
   0.40793380  0.44136655  0.34119486
   0.54232281  0.35764978  0.18934213
   0.27317003  0.39672306  0.18659379
   0.18401584  0.12430998  0.40163015
  -0.06331654  0.16249861  0.41238389
   0.03481881 -0.03743901  0.52118270
   0.46635320  0.22561897  0.75980646
   0.06074102  0.23609095  0.56069804
   0.37150721  0.48712920  0.83315101
   0.47458926  0.44037801  0.66306730
   0.22576712  0.35346082  0.69305973
   0.29245978  0.21442876 -0.11835797
   0.06075362  0.13636378  0.96379112
   0.13697231  0.60199903  0.09838090
   0.38164678  0.68814852  0.27962217
   0.13217982  0.84718943  0.04031711
   0.36096724  0.93356122  0.36147857
   0.40090459  0.93113428  0.18575510
   0.15938486  0.84477314  0.24187694
   0.36174501  0.64073310  0.47355059
   0.09595872  0.59464686  0.39421074
   0.24022570  0.42999771  0.51535625
   0.28599154  0.71821134  0.74118465
   0.14296881  0.73064041  0.55613808
   0.37073767  0.99811658  0.78304570
   0.53133558  0.85058125  0.65557202
   0.25332667  0.96948445  0.62037451
   0.29035575  0.67574248 -0.05548787
   0.02065883  0.66062385  0.91831919
   0.61590495  0.05603954  0.09937815
   0.83066479  0.21081430  0.23357133
   0.57396605  0.29005534  0.01646309
   0.88372743  0.45994646  0.32529256
   0.02426345  0.40083901  0.16678182
   0.76064095  0.44779235  0.11769755
   0.68620201  0.19717615  0.37409257
   0.46465497  0.13149820  0.46448646
   0.71301503  0.05205695  0.53556391
   0.89506685  0.25288719  0.83309807
   0.62596261  0.31179688  0.53815776
   0.81811918  0.51974883  0.84705120
   1.02664542  0.50383635  0.57764855
   0.75578774  0.38055391  0.69409089
   0.79207537  0.12017639  0.97159739
   0.54411359  0.07491857  0.91483358
   0.54650516  0.55435193  0.04784552
   0.89065711  0.72892034  0.29291145
   0.51723315  0.82312395  0.03207483
   0.79832548  0.97490608  0.32142477
   0.90765852  0.89044809  0.15082641
   0.64993567  0.82968146  0.20267897
   0.84515169  0.66327186  0.46198840
   0.61049716  0.57682386  0.39000635
   0.65673442  0.56609547  0.57822820
   0.82614101  0.77714605  0.81582021
   0.62625081  0.83154102  0.48486109
   0.95081083  0.99791258  0.83607684
   1.00851107  0.85510427  0.68829441
   0.74853938  0.96691396  0.69842374
   0.74931908  0.68979116  0.98691889
   0.52586350  0.67280840  0.87073506
   0.80104121  0.78532225  0.59802576
   0.41488506  0.87700586  0.50101697
   0.89285202  0.24383644  0.07082981
   0.73434222  0.41032813  0.37693659
   0.45785659  0.09484477  0.63104959
   0.25425981  0.99533377  0.94730944
   0.19647682  1.07791275  0.20140598
   0.30296341  1.14423338  0.06375349
   0.63417664  0.32438520  0.84541026
   0.61470795  0.63145667  0.62386156
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.613258    0.280790   -0.139108
    -0.000000    9.895435    0.066802
    -0.000000    0.000000   14.116653
   Si   O    H 
    32    64    10
Direct configuration=  3077
   0.21126279  0.20407543 -0.01954273
   0.34721556  0.09734335  0.37306105
   0.16237684  0.44144736  0.10700104
   0.40029713  0.33896261  0.25151670
   0.06956421  0.11234285  0.48124338
   0.42232479  0.12263219  0.84166324
   0.13677524  0.37216957  0.59191047
   0.37914850  0.37412214  0.74295011
   0.13988774  0.68935362 -0.00389401
   0.43592524  0.59643815  0.37468429
   0.07607119  0.90953966  0.14171164
   0.32791313  0.84022349  0.26830235
   0.14908127  0.57836787  0.50666718
   0.35837770  0.65487902  0.83845712
   0.11521293  0.87365449  0.60214914
   0.40758664  0.95942096  0.67332710
   0.63484916  0.13891554  1.00239138
   0.82383111  0.13507642  0.32978818
   0.59887142  0.40919668  0.09047474
   0.87723834  0.31698011  0.15342203
   0.62835102  0.17171352  0.48196607
   0.92014441  0.12343907  0.90004222
   0.62627606  0.41488346  0.62477744
   0.78043496  0.37371517  0.80852524
   0.57227811  0.68468554 -0.01569549
   0.92648374  0.60893982  0.36873409
   0.54989275  0.91623652  0.12395325
   0.81313416  0.85486102  0.24428181
   0.67586621  0.67734176  0.47376521
   0.85132366  0.66233717  0.89235329
   0.68484931  0.90886397  0.59043278
   0.87910860  0.89946915  0.75649383
   0.12203663  0.06908743  0.15681024
   0.38639482  0.18144083  0.27826094
   0.18288817  0.35891368  0.00975969
   0.40831071  0.44179748  0.34184821
   0.54237761  0.35543427  0.18980651
   0.27278469  0.39733636  0.18598282
   0.18654154  0.12482537  0.40106140
  -0.06324509  0.16205653  0.41270411
   0.03507308 -0.03957586  0.52047991
   0.46676947  0.22552977  0.75951190
   0.05994319  0.23604226  0.56029833
   0.37029053  0.48725149  0.83304725
   0.47484190  0.43978186  0.66247751
   0.22602631  0.35496159  0.69366812
   0.29232685  0.21394862 -0.11866718
   0.06020747  0.13566954  0.96313065
   0.13584001  0.60196215  0.09973665
   0.38191095  0.68745609  0.27920088
   0.13175326  0.84675265  0.04068688
   0.36061948  0.93123514  0.36247624
   0.40181934  0.93162414  0.18562935
   0.15876730  0.84456896  0.24088411
   0.36239713  0.64266684  0.47390575
   0.09589991  0.59544611  0.39375139
   0.24121149  0.42834774  0.51539609
   0.28722992  0.71716935  0.74142028
   0.14112415  0.73100631  0.55468215
   0.37025841  0.99869335  0.78285428
   0.53130094  0.84833971  0.65636558
   0.25303831  0.96976859  0.62032630
   0.29120603  0.67600991 -0.05482576
   0.02010740  0.66250027  0.91680162
   0.61621833  0.05620855  0.09847693
   0.83078020  0.21024903  0.23242482
   0.57564386  0.28881264  0.01665379
   0.88238987  0.45937838  0.32451721
   0.02623039  0.40130712  0.16612795
   0.75925397  0.44769440  0.11710814
   0.68621751  0.19687052  0.37347543
   0.46555379  0.12977089  0.46468821
   0.71329196  0.05159578  0.53475258
   0.89686197  0.25322364  0.83373727
   0.62623205  0.31324097  0.53935630
   0.81862915  0.51845954  0.84731078
   1.02817977  0.50516160  0.57912380
   0.75789244  0.38152650  0.69442264
   0.79091688  0.12044848  0.97080208
   0.54245290  0.07519154  0.91450756
   0.54665140  0.55589864  0.04970323
   0.89119912  0.72963916  0.29340725
   0.51680818  0.82462325  0.03246386
   0.79823317  0.97540930  0.32229586
   0.91004123  0.88966303  0.15128593
   0.65115689  0.82795351  0.20167793
   0.84626249  0.66312070  0.46044437
   0.61031079  0.57478962  0.39153465
   0.65868463  0.56759738  0.57820303
   0.82754320  0.77899765  0.81700669
   0.62566069  0.83225222  0.48478698
   0.95063876  0.99748936  0.83601459
   1.00719163  0.85496814  0.68748701
   0.75004236  0.96732039  0.69865475
   0.74661471  0.69010455  0.98793111
   0.52581590  0.67124076  0.87023796
   0.79536127  0.78897221  0.59234396
   0.41946453  0.87186649  0.50839756
   0.88762338  0.23474384  0.06988176
   0.71232228  0.40535375  0.37603150
   0.45293072  0.08789129  0.62738736
   0.26480358  0.98614409  0.94708450
   0.18535087  1.07686046  0.19017602
   0.30062637  1.14275223  0.06267799
   0.64123933  0.33401292  0.84428958
   0.61275135  0.63023959  0.62065162
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.613874    0.282778   -0.138953
    -0.000000    9.898486    0.068368
    -0.000000    0.000000   14.118658
   Si   O    H 
    32    64    10
Direct configuration=  3078
   0.20925733  0.20368419 -0.01970300
   0.34732062  0.09843684  0.37289235
   0.16146551  0.44056737  0.10677239
   0.40005762  0.33980202  0.25048047
   0.06944206  0.11201368  0.48069356
   0.42274238  0.12308922  0.84108584
   0.13602571  0.37274234  0.59136016
   0.37780183  0.37378223  0.74307662
   0.14035316  0.69077007 -0.00396003
   0.43621655  0.59609067  0.37519593
   0.07551845  0.90873625  0.14231018
   0.32730382  0.83872183  0.26842706
   0.15013102  0.57790218  0.50654652
   0.35882447  0.65549907  0.83953123
   0.11584972  0.87356864  0.60245515
   0.40869587  0.95844160  0.67256452
   0.63527558  0.13830931  1.00168280
   0.82329332  0.13579739  0.32924983
   0.59912771  0.40934916  0.09012867
   0.87757911  0.31769072  0.15266686
   0.62786520  0.17318755  0.48118319
   0.92094300  0.12435152  0.90017958
   0.62626772  0.41334425  0.62464625
   0.78022859  0.37489860  0.80981371
   0.57208194  0.68523160 -0.01590455
   0.92510733  0.60757870  0.36852328
   0.55109540  0.91609823  0.12423334
   0.81429077  0.85574186  0.24441377
   0.67599769  0.67666325  0.47386529
   0.85084993  0.66344836  0.89254628
   0.68437522  0.90855852  0.59110040
   0.87867460  0.90029120  0.75687987
   0.11893560  0.06784884  0.15483404
   0.38765343  0.18021134  0.27868705
   0.18208953  0.35846377  0.01143755
   0.40902855  0.44154282  0.34175272
   0.54315637  0.35241762  0.19033402
   0.27304805  0.39786846  0.18551790
   0.18883489  0.12572692  0.39982471
  -0.06311344  0.16190584  0.41293712
   0.03453320 -0.04080117  0.51949527
   0.46707867  0.22660641  0.75907917
   0.05908844  0.23485336  0.56015306
   0.36938280  0.48701537  0.83284801
   0.47522431  0.43929579  0.66201927
   0.22569545  0.35662330  0.69417459
   0.29222352  0.21426585 -0.11876235
   0.05974134  0.13576852  0.96307248
   0.13605350  0.60152290  0.10062757
   0.38258869  0.68610593  0.27853008
   0.13120742  0.84638077  0.04130696
   0.36002102  0.92872201  0.36327158
   0.40277522  0.93253397  0.18525925
   0.15797990  0.84406581  0.23946311
   0.36281399  0.64435339  0.47395604
   0.09518553  0.59534292  0.39324929
   0.24231374  0.42681171  0.51512149
   0.28844560  0.71542674  0.74187141
   0.13889276  0.73099683  0.55282686
   0.37003708  0.99797080  0.78255860
   0.53171290  0.84604780  0.65708300
   0.25161351  0.96908000  0.62087502
   0.29173066  0.67714559 -0.05444506
   0.01947892  0.66436871  0.91481411
   0.61687073  0.05586850  0.09798549
   0.83095914  0.21077811  0.23133794
   0.57695048  0.28720869  0.01677972
   0.88031921  0.45857540  0.32393663
   0.02700345  0.40082914  0.16535984
   0.75826908  0.44702019  0.11654255
   0.68563309  0.19600146  0.37308654
   0.46569515  0.12839753  0.46476576
   0.71361358  0.05113152  0.53394588
   0.89883346  0.25381519  0.83428794
   0.62612203  0.31389289  0.54067001
   0.81935847  0.51733342  0.84740837
   1.02919035  0.50598366  0.58042868
   0.76039019  0.38183822  0.69436242
   0.78999602  0.12077116  0.96968143
   0.54132461  0.07562273  0.91441447
   0.54704847  0.55738036  0.05153651
   0.89197684  0.72979798  0.29323622
   0.51674616  0.82654395  0.03261382
   0.79918756  0.97584851  0.32311234
   0.91228027  0.88819801  0.15205046
   0.65145245  0.82670909  0.20069898
   0.84609424  0.66321450  0.45986076
   0.60994606  0.57270134  0.39286279
   0.66159588  0.56894545  0.57860190
   0.82782499  0.78045785  0.81823143
   0.62427709  0.83214193  0.48516064
   0.94988108  0.99614482  0.83603853
   1.00660750  0.85453062  0.68720969
   0.75099923  0.96817769  0.69882604
   0.74387058  0.68984461  0.98829404
   0.52633662  0.66936437  0.86968962
   0.78634694  0.79548910  0.58836326
   0.41948298  0.86909975  0.51374011
   0.88729214  0.22935560  0.06986170
   0.70033350  0.40181772  0.37236587
   0.44965499  0.07907098  0.62878715
   0.27438129  0.97640355  0.94605323
   0.22563986  1.08631185  0.20562626
   0.29528626  1.14574362  0.05873098
   0.64978030  0.33768282  0.84352036
   0.60548665  0.63775473  0.62137765
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.614742    0.284973   -0.139078
    -0.000000    9.901571    0.070130
    -0.000000    0.000000   14.120600
   Si   O    H 
    32    64    10
Direct configuration=  3079
   0.20747115  0.20374286 -0.01995641
   0.34700808  0.09932661  0.37305482
   0.16028252  0.44009628  0.10674766
   0.40068460  0.34034076  0.24970961
   0.06916034  0.11165332  0.48023015
   0.42300767  0.12387281  0.84055815
   0.13488296  0.37347144  0.59081004
   0.37630759  0.37395249  0.74322961
   0.14049741  0.69203111 -0.00394310
   0.43678565  0.59587933  0.37563503
   0.07599975  0.90774586  0.14287374
   0.32675172  0.83829586  0.26823256
   0.15092163  0.57738829  0.50623286
   0.35901823  0.65535710  0.84027186
   0.11624182  0.87392617  0.60270595
   0.40909033  0.95776340  0.67198153
   0.63561431  0.13778206  1.00072620
   0.82317695  0.13598555  0.32905298
   0.59947204  0.40973208  0.08969047
   0.87804782  0.31888383  0.15155058
   0.62743276  0.17451189  0.48036370
   0.92194615  0.12517744  0.90046948
   0.62609832  0.41223905  0.62467357
   0.78024682  0.37586314  0.81040666
   0.57194731  0.68570520 -0.01658242
   0.92372802  0.60601330  0.36796895
   0.55283717  0.91568807  0.12478973
   0.81591698  0.85666521  0.24442810
   0.67662007  0.67552029  0.47406096
   0.85044373  0.66421966  0.89274273
   0.68396335  0.90824631  0.59211769
   0.87860946  0.90121829  0.75664845
   0.11677173  0.06747524  0.15295069
   0.38917233  0.17880941  0.27887452
   0.18163196  0.35801323  0.01237704
   0.40947477  0.44043975  0.34172130
   0.54359004  0.35000100  0.19066202
   0.27359735  0.39818858  0.18541477
   0.19041158  0.12675066  0.39854815
  -0.06311274  0.16166660  0.41326502
   0.03418178 -0.04124821  0.51848312
   0.46836400  0.22805016  0.75878991
   0.05852919  0.23247581  0.55971218
   0.36755544  0.48657449  0.83157437
   0.47625984  0.43867294  0.66148762
   0.22478852  0.35792852  0.69442301
   0.29174729  0.21436555 -0.11934238
   0.05990368  0.13657038  0.96318168
   0.13618739  0.60139018  0.10110256
   0.38244721  0.68448088  0.27841968
   0.13016140  0.84570005  0.04181384
   0.35916714  0.92662437  0.36420296
   0.40353024  0.93351478  0.18479834
   0.15807429  0.84380312  0.23821562
   0.36353283  0.64573624  0.47310916
   0.09433299  0.59546734  0.39304840
   0.24330721  0.42493450  0.51476574
   0.28906213  0.71453042  0.74296219
   0.13715300  0.73086747  0.55156979
   0.37006749  0.99675525  0.78240111
   0.53171000  0.84411040  0.65766751
   0.25012356  0.96793223  0.62135120
   0.29187840  0.67798025 -0.05440783
   0.01934899  0.66544687  0.91327919
   0.61723350  0.05613664  0.09764924
   0.83162719  0.21158310  0.23030489
   0.57873705  0.28608877  0.01666966
   0.87764631  0.45778036  0.32398959
   0.02720323  0.39947868  0.16404792
   0.75799360  0.44613842  0.11596891
   0.68446571  0.19488774  0.37351261
   0.46507158  0.12747202  0.46408720
   0.71421990  0.05073852  0.53300067
   0.90095299  0.25406562  0.83431029
   0.62590371  0.31369519  0.54143329
   0.82058583  0.51649487  0.84720253
   1.03004904  0.50628333  0.58126630
   0.76214331  0.38257618  0.69412356
   0.79011018  0.11998023  0.96838950
   0.54041416  0.07589534  0.91504432
   0.54692448  0.56015802  0.05339588
   0.89211299  0.73025094  0.29266540
   0.51756439  0.82870398  0.03259747
   0.80065612  0.97605309  0.32331718
   0.91455595  0.88650025  0.15243656
   0.65313572  0.82598754  0.19953609
   0.84586358  0.66278424  0.46002700
   0.60976135  0.57072693  0.39406602
   0.66403219  0.57026530  0.57878106
   0.82757757  0.78210348  0.81962881
   0.62200214  0.83226966  0.48471525
   0.94903303  0.99507545  0.83596308
   1.00618103  0.85430694  0.68757468
   0.75131137  0.96919673  0.69891513
   0.74196816  0.68924532  0.98771692
   0.52695587  0.66697005  0.86951880
   0.77763015  0.79718797  0.58608686
   0.41752544  0.86763073  0.51677023
   0.88501884  0.22734927  0.07213569
   0.69302974  0.40039286  0.36577007
   0.45245775  0.07701285  0.62898321
   0.28231376  0.96602839  0.94546672
   0.25130919  1.09160798  0.21282422
   0.28830775  1.15081931  0.05324057
   0.65156046  0.33908049  0.84904795
   0.59939483  0.64685047  0.61952845
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.615718    0.287059   -0.139312
    -0.000000    9.905092    0.071725
    -0.000000    0.000000   14.122661
   Si   O    H 
    32    64    10
Direct configuration=  3080
   0.20476395  0.20479109 -0.02055999
   0.34781917  0.10021753  0.37354839
   0.15882848  0.43981551  0.10700280
   0.40079195  0.34084159  0.24925794
   0.06910767  0.11136141  0.47970209
   0.42288109  0.12462101  0.83976219
   0.13478413  0.37353311  0.59022609
   0.37558071  0.37409127  0.74352717
   0.14033569  0.69362430 -0.00383648
   0.43733885  0.59550102  0.37652694
   0.07643535  0.90741431  0.14336732
   0.32655887  0.83858124  0.26856935
   0.15191001  0.57742808  0.50599399
   0.35894069  0.65511891  0.84095121
   0.11601169  0.87407544  0.60317404
   0.40847756  0.95635995  0.67177568
   0.63634571  0.13665889  0.99957950
   0.82374648  0.13643133  0.32891958
   0.59973338  0.40980517  0.08956220
   0.87871328  0.32049900  0.15038751
   0.62641791  0.17522867  0.47965475
   0.92309467  0.12574525  0.90112803
   0.62654612  0.41116372  0.62452856
   0.77979559  0.37572986  0.81096135
   0.57200659  0.68572991 -0.01715183
   0.92320148  0.60494549  0.36753212
   0.55451822  0.91488440  0.12567885
   0.81723410  0.85706821  0.24446407
   0.67737941  0.67462170  0.47441198
   0.85010892  0.66463038  0.89293862
   0.68366512  0.90793093  0.59329335
   0.87877044  0.90188937  0.75648610
   0.11582130  0.06729927  0.15096823
   0.39070918  0.17770449  0.27911049
   0.18143294  0.35772158  0.01316851
   0.41084887  0.43857168  0.34193952
   0.54415919  0.34782285  0.19059589
   0.27400372  0.39810835  0.18566471
   0.19102724  0.12706913  0.39791673
  -0.06207938  0.16151456  0.41312958
   0.03336045 -0.04096814  0.51752602
   0.46962229  0.22996433  0.75819252
   0.05812499  0.23010424  0.55887577
   0.36643770  0.48556003  0.83026113
   0.47685694  0.43835116  0.66110315
   0.22350636  0.35862022  0.69435728
   0.29131543  0.21377901 -0.11919619
   0.06037698  0.13787417  0.96364464
   0.13577099  0.60097815  0.10106631
   0.38292092  0.68234440  0.27896297
   0.12863189  0.84452559  0.04214207
   0.35817413  0.92550566  0.36535146
   0.40446352  0.93459289  0.18465406
   0.15746775  0.84323775  0.23705750
   0.36439269  0.64660628  0.47229223
   0.09367025  0.59508353  0.39300944
   0.24508690  0.42379337  0.51420704
   0.28926402  0.71284575  0.74419826
   0.13651200  0.72996588  0.54999999
   0.36980959  0.99579517  0.78257418
   0.53083655  0.84253402  0.65832928
   0.24906008  0.96659283  0.62175446
   0.29084941  0.67902152 -0.05440904
   0.01947350  0.66644217  0.91225634
   0.61730383  0.05628457  0.09747621
   0.83211882  0.21265131  0.22964638
   0.58066311  0.28553739  0.01640069
   0.87429336  0.45695646  0.32448792
   0.02552797  0.39810061  0.16270763
   0.75745366  0.44465115  0.11568059
   0.68339200  0.19377411  0.37377816
   0.46454257  0.12632135  0.46323625
   0.71434959  0.05007553  0.53246368
   0.90271166  0.25466650  0.83445975
   0.62574265  0.31225501  0.54164751
   0.82230659  0.51611575  0.84681396
   1.03128850  0.50648144  0.58160992
   0.76429633  0.38275925  0.69382778
   0.79039903  0.11923791  0.96737939
   0.53979646  0.07640626  0.91517089
   0.54584167  0.56294578  0.05418468
   0.89301669  0.73151420  0.29182940
   0.51852290  0.83084891  0.03238891
   0.80233848  0.97601237  0.32305939
   0.91615617  0.88484577  0.15291481
   0.65596490  0.82606509  0.19856780
   0.84585207  0.66295365  0.46008700
   0.60973058  0.56912922  0.39531635
   0.66577724  0.57155130  0.57886419
   0.82600241  0.78305556  0.82108501
   0.61996263  0.83226221  0.48390988
   0.94876835  0.99376897  0.83509080
   1.00691782  0.85440884  0.68786501
   0.75166453  0.97053271  0.69899931
   0.74043089  0.68872822  0.98655017
   0.52779490  0.66478257  0.86954164
   0.77345674  0.79512242  0.58678332
   0.41180932  0.86903034  0.51549703
   0.88372097  0.22617567  0.07284643
   0.68939468  0.40098631  0.35791252
   0.45945966  0.08068937  0.62719288
   0.29133321  0.95969383  0.94418796
   0.26184913  1.09628852  0.21516118
   0.28727872  1.15349373  0.05287591
   0.65036797  0.33695737  0.85708575
   0.59529805  0.65399282  0.61598561
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.616424    0.289726   -0.139633
    -0.000000    9.908447    0.073525
    -0.000000    0.000000   14.124733
   Si   O    H 
    32    64    10
Direct configuration=  3081
   0.20297605  0.20549445 -0.02080880
   0.34876412  0.10033695  0.37421408
   0.15775654  0.43917951  0.10785045
   0.40091862  0.34181337  0.24910834
   0.06855240  0.11149534  0.47915508
   0.42247129  0.12538624  0.83880138
   0.13399513  0.37322166  0.58968035
   0.37514001  0.37392877  0.74336482
   0.14032272  0.69499297 -0.00354052
   0.43748501  0.59493569  0.37758543
   0.07736650  0.90729938  0.14386622
   0.32649829  0.83972633  0.26922212
   0.15269379  0.57684082  0.50540175
   0.35892007  0.65432740  0.84136372
   0.11563537  0.87331780  0.60367177
   0.40800748  0.95492963  0.67136924
   0.63720277  0.13601564  0.99876008
   0.82475035  0.13666660  0.32854190
   0.59993151  0.40976558  0.08963313
   0.87973912  0.32216036  0.14926392
   0.62526040  0.17572679  0.47937253
   0.92413905  0.12638343  0.90155320
   0.62738575  0.41053361  0.62489901
   0.77978322  0.37508344  0.81130204
   0.57227628  0.68583554 -0.01786055
   0.92261892  0.60357949  0.36733211
   0.55612787  0.91339606  0.12667546
   0.81784057  0.85740346  0.24412185
   0.67827769  0.67434339  0.47458717
   0.84971269  0.66525692  0.89299133
   0.68364981  0.90834710  0.59461051
   0.87893669  0.90229033  0.75633510
   0.11516454  0.06734879  0.14997923
   0.39245764  0.17661693  0.27874655
   0.18210178  0.35671750  0.01400326
   0.41273507  0.43615299  0.34133931
   0.54437793  0.34604583  0.19068495
   0.27458504  0.39750607  0.18558401
   0.19104210  0.12775690  0.39791747
  -0.06194017  0.16169196  0.41277203
   0.03329980 -0.04028091  0.51695412
   0.47131496  0.23162775  0.75880226
   0.05934624  0.22772034  0.55774891
   0.36526447  0.48507626  0.82882979
   0.47665385  0.43822400  0.66075734
   0.22181105  0.35921269  0.69425617
   0.29108080  0.21299583 -0.11924343
   0.06008965  0.13955564  0.96375106
   0.13566331  0.59997752  0.10047640
   0.38337368  0.68061747  0.27938645
   0.12791054  0.84337978  0.04230897
   0.35682458  0.92506333  0.36645598
   0.40608462  0.93441770  0.18444446
   0.15790561  0.84236531  0.23627608
   0.36532193  0.64720966  0.47155870
   0.09263030  0.59472370  0.39342676
   0.24707964  0.42303698  0.51392622
   0.28987993  0.71072555  0.74510447
   0.13576928  0.72987555  0.54859180
   0.37009079  0.99493502  0.78251700
   0.52969258  0.84197510  0.65878115
   0.24875185  0.96523824  0.62219729
   0.29050057  0.68036574 -0.05406025
   0.01931054  0.66817377  0.91168476
   0.61806751  0.05672887  0.09711780
   0.83315221  0.21400256  0.22938005
   0.58212985  0.28587101  0.01573302
   0.87086869  0.45585502  0.32497506
   0.02396931  0.39539904  0.16199951
   0.75828760  0.44357981  0.11537779
   0.68194537  0.19330271  0.37449133
   0.46390339  0.12437863  0.46163322
   0.71407468  0.05061248  0.53231617
   0.90432397  0.25564472  0.83451956
   0.62558885  0.31090993  0.54150660
   0.82360504  0.51580080  0.84630042
   1.03205746  0.50570352  0.58235836
   0.76541622  0.38270246  0.69360081
   0.79126021  0.11890275  0.96599056
   0.53974789  0.07633292  0.91529951
   0.54465725  0.56451131  0.05499353
   0.89428444  0.73222562  0.29099592
   0.52007216  0.83240173  0.03217132
   0.80335900  0.97569537  0.32270055
   0.91681525  0.88365606  0.15372521
   0.65883650  0.82599782  0.19754056
   0.84493956  0.66348893  0.46100620
   0.61028867  0.56856209  0.39634660
   0.66653943  0.57415099  0.57944920
   0.82284617  0.78307311  0.82225944
   0.61781448  0.83110007  0.48296345
   0.94872595  0.99221162  0.83424068
   1.00822827  0.85507141  0.68849577
   0.75217304  0.97117660  0.69873705
   0.74011032  0.68817901  0.98541602
   0.52823217  0.66331951  0.86974072
   0.77938652  0.78844755  0.58824064
   0.41058818  0.86665674  0.51362420
   0.88242849  0.22639459  0.07354374
   0.69211090  0.40730738  0.34864886
   0.46619344  0.08546751  0.62586948
   0.30306475  0.95411915  0.94247647
   0.26295799  1.10246020  0.21178221
   0.29463091  1.14787533  0.05391124
   0.65148146  0.33565405  0.86288331
   0.59802367  0.65328356  0.60915903
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.616982    0.291792   -0.140723
    -0.000000    9.911761    0.074916
    -0.000000    0.000000   14.126727
   Si   O    H 
    32    64    10
Direct configuration=  3082
   0.20173661  0.20595374 -0.02098147
   0.35002547  0.10079018  0.37490191
   0.15671382  0.43895231  0.10885781
   0.40038205  0.34238267  0.24865562
   0.06877025  0.11161484  0.47827871
   0.42224787  0.12682631  0.83769634
   0.13291957  0.37234680  0.58924783
   0.37493489  0.37424005  0.74356229
   0.14027045  0.69655473 -0.00387151
   0.43788321  0.59324931  0.37802969
   0.07809699  0.90805499  0.14473394
   0.32642588  0.84106060  0.26957612
   0.15381725  0.57563704  0.50508551
   0.35885147  0.65348655  0.84167397
   0.11484998  0.87204141  0.60374947
   0.40699520  0.95388225  0.67104311
   0.63736394  0.13471322  0.99802798
   0.82574798  0.13642854  0.32854262
   0.60081523  0.40963641  0.08993133
   0.88073365  0.32329996  0.14794149
   0.62390017  0.17580187  0.47943003
   0.92507026  0.12736883  0.90189375
   0.62776032  0.40988554  0.62542583
   0.78012999  0.37494298  0.81160642
   0.57280432  0.68602616 -0.01859092
   0.92273516  0.60205511  0.36615382
   0.55730627  0.91168263  0.12764961
   0.81829975  0.85796105  0.24355273
   0.67926613  0.67412185  0.47485138
   0.84963177  0.66582593  0.89345583
   0.68388802  0.90847838  0.59576937
   0.87866633  0.90259329  0.75599225
   0.11494894  0.06746712  0.14950603
   0.39365472  0.17515741  0.27794649
   0.18316071  0.35635426  0.01543939
   0.41491794  0.43388454  0.34015291
   0.54533254  0.34492545  0.19101531
   0.27478997  0.39649038  0.18596066
   0.19184594  0.12915453  0.39827357
  -0.06183278  0.16202474  0.41227048
   0.03304808 -0.04022679  0.51617797
   0.47201258  0.23357100  0.75982284
   0.06081123  0.22605790  0.55725112
   0.36564210  0.48520293  0.82807192
   0.47582789  0.43833478  0.66095932
   0.22064300  0.36010269  0.69412466
   0.29120609  0.21162481 -0.11956587
   0.05930958  0.14079151  0.96455568
   0.13550310  0.59841176  0.09955945
   0.38461475  0.67979429  0.27953194
   0.12705932  0.84294606  0.04242283
   0.35561775  0.92492580  0.36725379
   0.40841337  0.93508887  0.18434932
   0.15840484  0.84082913  0.23570175
   0.36677762  0.64855852  0.47016047
   0.09196629  0.59390800  0.39400875
   0.24873834  0.42226376  0.51338233
   0.29122020  0.70901760  0.74614466
   0.13570775  0.72954142  0.54777292
   0.37001290  0.99384287  0.78252994
   0.52930993  0.84142550  0.65921642
   0.24824096  0.96361704  0.62223212
   0.28987533  0.68110117 -0.05425527
   0.01976441  0.67010783  0.91158942
   0.61803764  0.05667155  0.09660323
   0.83449634  0.21488504  0.22926410
   0.58278244  0.28666322  0.01498160
   0.86695714  0.45560211  0.32561691
   0.02210586  0.39273574  0.16148400
   0.75944483  0.44287167  0.11517093
   0.68046109  0.19273895  0.37502818
   0.46308760  0.12285295  0.45944850
   0.71341936  0.05200481  0.53254514
   0.90574667  0.25687781  0.83434832
   0.62596956  0.31021549  0.54120254
   0.82440639  0.51621647  0.84532681
   1.03279804  0.50496785  0.58284074
   0.76639265  0.38367869  0.69304347
   0.79210593  0.11750106  0.96516622
   0.53924434  0.07622818  0.91572074
   0.54319662  0.56488279  0.05642298
   0.89581038  0.73268914  0.29039873
   0.52110618  0.83369689  0.03172421
   0.80458327  0.97461302  0.32186632
   0.91569963  0.88278010  0.15473877
   0.66244392  0.82682353  0.19719189
   0.84434004  0.66383761  0.46189798
   0.61038712  0.56758964  0.39704126
   0.66702643  0.57672723  0.58037331
   0.81996781  0.78312105  0.82275478
   0.61569705  0.82962902  0.48234439
   0.94835229  0.99084564  0.83372160
   1.00880338  0.85586534  0.68958310
   0.75240406  0.97178067  0.69875762
   0.74048974  0.68750988  0.98368777
   0.52907787  0.66249944  0.87002028
   0.78312673  0.78392915  0.59124720
   0.40340834  0.86595530  0.51003090
   0.88742533  0.22442403  0.07273216
   0.70382691  0.41626053  0.33787482
   0.47138327  0.08636690  0.62622195
   0.31214256  0.95336009  0.94105300
   0.25251351  1.10685292  0.20630366
   0.30205047  1.14064934  0.05503443
   0.65188496  0.33291507  0.86656357
   0.60099887  0.64740402  0.60371721
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.617775    0.293881   -0.141627
    -0.000000    9.914956    0.075865
    -0.000000    0.000000   14.128990
   Si   O    H 
    32    64    10
Direct configuration=  3083
   0.20151406  0.20596469 -0.02060919
   0.35184199  0.10131949  0.37564903
   0.15525302  0.43887616  0.10945445
   0.40025097  0.34294715  0.24854354
   0.06910764  0.11147085  0.47743901
   0.42165739  0.12777153  0.83673715
   0.13171242  0.37144206  0.58936046
   0.37477453  0.37425270  0.74400557
   0.14009889  0.69758274 -0.00378809
   0.43865568  0.59143308  0.37833764
   0.07825198  0.90948125  0.14531013
   0.32644428  0.84223499  0.26958628
   0.15519813  0.57469712  0.50463143
   0.35879390  0.65228801  0.84183467
   0.11374609  0.87010334  0.60363292
   0.40580456  0.95337050  0.67061200
   0.63716429  0.13259996  0.99734966
   0.82597326  0.13587084  0.32884611
   0.60153677  0.40942425  0.09007592
   0.88147365  0.32394127  0.14666920
   0.62280070  0.17533660  0.47994265
   0.92623044  0.12836952  0.90186806
   0.62830187  0.40988771  0.62555231
   0.78074792  0.37408692  0.81168825
   0.57333336  0.68625381 -0.01928811
   0.92296189  0.60099267  0.36504003
   0.55777785  0.91037905  0.12853194
   0.81880681  0.85873887  0.24347506
   0.68029372  0.67404491  0.47505233
   0.84977660  0.66607482  0.89397631
   0.68420999  0.90887619  0.59632973
   0.87831454  0.90266272  0.75554571
   0.11552142  0.06814209  0.14923617
   0.39416698  0.17395845  0.27701571
   0.18394219  0.35599317  0.01662632
   0.41700711  0.43180984  0.33918060
   0.54607346  0.34423453  0.19118670
   0.27556995  0.39560444  0.18619406
   0.19246033  0.13043202  0.39900024
  -0.06120681  0.16142241  0.41196530
   0.03370062 -0.04033937  0.51658267
   0.47223752  0.23508657  0.76105098
   0.06246510  0.22481512  0.55777031
   0.36651732  0.48527536  0.82754216
   0.47517376  0.43872187  0.66122707
   0.21993046  0.36082050  0.69405646
   0.29024458  0.21112385 -0.11947604
   0.05812264  0.14114481  0.96564912
   0.13559515  0.59790965  0.09802994
   0.38524578  0.67947756  0.28044640
   0.12579257  0.84371187  0.04309400
   0.35518697  0.92540471  0.36780228
   0.41018678  0.93602841  0.18402811
   0.15977177  0.83888357  0.23522046
   0.36831909  0.64935733  0.46817169
   0.09114930  0.59352065  0.39450486
   0.25113236  0.42143387  0.51329572
   0.29255214  0.70756909  0.74704796
   0.13610322  0.72876557  0.54725521
   0.37021024  0.99202418  0.78232958
   0.52977776  0.84154868  0.65978642
   0.24852213  0.96197621  0.62239867
   0.28873881  0.68242704 -0.05446929
   0.01988546  0.67122025  0.91175106
   0.61809366  0.05670705  0.09693195
   0.83613106  0.21586217  0.22894275
   0.58353918  0.28817548  0.01414127
   0.86270338  0.45614864  0.32613092
   0.02032997  0.39113061  0.16149439
   0.76120609  0.44265810  0.11528895
   0.67966468  0.19233594  0.37522964
   0.46284927  0.12105192  0.45813099
   0.71308132  0.05367778  0.53263441
   0.90749088  0.25855131  0.83415310
   0.62587097  0.30918860  0.54026425
   0.82471524  0.51764472  0.84474112
   1.03296610  0.50436607  0.58347037
   0.76682425  0.38371911  0.69289416
   0.79241019  0.11516584  0.96443489
   0.53843940  0.07612499  0.91596353
   0.54164486  0.56393845  0.05807032
   0.89739404  0.73229220  0.29011978
   0.52138031  0.83418470  0.03098912
   0.80667009  0.97412126  0.32118783
   0.91476890  0.88275087  0.15603939
   0.66559040  0.82727938  0.19702059
   0.84361998  0.66402576  0.46277028
   0.61008076  0.56733560  0.39759927
   0.66687232  0.57919978  0.58118512
   0.81728686  0.78256325  0.82293381
   0.61383672  0.82901178  0.48130158
   0.94766029  0.98969300  0.83356528
   1.00956048  0.85645966  0.69082733
   0.75177951  0.97310782  0.69890215
   0.74154389  0.68624923  0.98173770
   0.52984652  0.66209176  0.87025054
   0.78392911  0.78403952  0.59642826
   0.39774484  0.86228913  0.50462692
   0.89411378  0.22292484  0.07266781
   0.73103418  0.43306991  0.32791616
   0.47156288  0.08525813  0.62756489
   0.32070424  0.95279419  0.94051297
   0.23196636  1.10861609  0.19592173
   0.30694149  1.13582747  0.05046472
   0.65391236  0.32914831  0.86678808
   0.59592513  0.64567451  0.60201678
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.618719    0.296073   -0.141468
    -0.000000    9.918325    0.076928
    -0.000000    0.000000   14.130793
   Si   O    H 
    32    64    10
Direct configuration=  3084
   0.20162296  0.20562937 -0.02014772
   0.35300928  0.10156507  0.37625069
   0.15413934  0.43863037  0.11023065
   0.40103246  0.34299226  0.24834107
   0.06943643  0.11084992  0.47668028
   0.42047599  0.12831791  0.83644937
   0.13090788  0.37030559  0.58972325
   0.37427663  0.37452618  0.74422368
   0.14070962  0.69864989 -0.00336579
   0.43832128  0.58921255  0.37821676
   0.07874673  0.91040005  0.14554267
   0.32652427  0.84293132  0.26947207
   0.15636147  0.57342925  0.50429326
   0.35984837  0.65091215  0.84223016
   0.11294851  0.86819670  0.60352183
   0.40491276  0.95397402  0.66990217
   0.63673736  0.13109402  0.99685132
   0.82651097  0.13505969  0.32946225
   0.60229530  0.40849866  0.09015310
   0.88161431  0.32415740  0.14527772
   0.62174668  0.17513944  0.48107694
   0.92718176  0.12915759  0.90126515
   0.62895647  0.41000519  0.62587615
   0.78087989  0.37328120  0.81126401
   0.57367671  0.68695328 -0.01995769
   0.92290225  0.60017711  0.36352965
   0.55737014  0.90918279  0.12918624
   0.81919193  0.85934795  0.24363303
   0.68062557  0.67385207  0.47546676
   0.85084954  0.66627491  0.89448992
   0.68475622  0.90925788  0.59687562
   0.87769258  0.90291325  0.75505252
   0.11634506  0.06958678  0.14875997
   0.39494818  0.17331029  0.27555042
   0.18382661  0.35613744  0.01741067
   0.41876774  0.42966350  0.33828189
   0.54704313  0.34298001  0.19098240
   0.27578373  0.39466892  0.18633850
   0.19242690  0.13145429  0.39993238
  -0.06183341  0.16108564  0.41198803
   0.03440357 -0.04036425  0.51685411
   0.47273558  0.23619516  0.76259347
   0.06341460  0.22502316  0.55837050
   0.36697469  0.48482579  0.82676561
   0.47477631  0.43922352  0.66142944
   0.21988741  0.36159948  0.69408233
   0.28897686  0.21200223 -0.11957114
   0.05768647  0.14092678  0.96661533
   0.13615145  0.59685536  0.09629232
   0.38566826  0.67919590  0.28093315
   0.12483676  0.84484504  0.04401518
   0.35521693  0.92569517  0.36760020
   0.41147513  0.93716852  0.18424633
   0.16126229  0.83693786  0.23492849
   0.36986110  0.64996788  0.46705380
   0.08996199  0.59371791  0.39498772
   0.25303977  0.42063590  0.51322391
   0.29328440  0.70688324  0.74872343
   0.13635270  0.72839644  0.54718409
   0.37058192  0.98996392  0.78249728
   0.53034735  0.84149155  0.65989430
   0.24930787  0.96090261  0.62215971
   0.28765373  0.68362083 -0.05448484
   0.01963009  0.67206011  0.91216039
   0.61876992  0.05665073  0.09733281
   0.83775860  0.21693659  0.22869365
   0.58421830  0.29008966  0.01325396
   0.85792300  0.45677201  0.32688037
   0.01933373  0.38980091  0.16175145
   0.76304415  0.44252758  0.11556675
   0.67888723  0.19227160  0.37488379
   0.46225209  0.11997453  0.45681644
   0.71238563  0.05485607  0.53276974
   0.90880324  0.26043399  0.83364606
   0.62493479  0.30844928  0.53945739
   0.82546297  0.51886798  0.84407926
   1.03281561  0.50381974  0.58417912
   0.76668047  0.38330716  0.69283179
   0.79266149  0.11350523  0.96330232
   0.53772683  0.07683073  0.91583075
   0.54047061  0.56306862  0.05930825
   0.89857073  0.73095153  0.29009073
   0.52209009  0.83539155  0.03077812
   0.80854497  0.97299166  0.32025308
   0.91404719  0.88278869  0.15708546
   0.66879325  0.82783908  0.19678224
   0.84352362  0.66483621  0.46364657
   0.60969579  0.56592790  0.39834400
   0.66625031  0.58201644  0.58139273
   0.81555544  0.78202691  0.82276451
   0.61300622  0.82845485  0.48014552
   0.94807413  0.98904948  0.83405332
   1.00983460  0.85663044  0.69192078
   0.75158765  0.97462540  0.69947046
   0.74321760  0.68550985  0.98023402
   0.53054180  0.66280304  0.87023362
   0.78252288  0.78636153  0.60216209
   0.39158858  0.85837043  0.49936182
   0.89863513  0.22603730  0.07063140
   0.77286769  0.45221448  0.31729123
   0.46708737  0.08035415  0.63158221
   0.32656195  0.94887106  0.94243311
   0.20138781  1.10412308  0.18178165
   0.30887840  1.13470425  0.04561694
   0.65923007  0.32628403  0.86668157
   0.58712547  0.64889191  0.60419279
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.620037    0.298084   -0.141732
    -0.000000    9.921794    0.077353
    -0.000000    0.000000   14.132545
   Si   O    H 
    32    64    10
Direct configuration=  3085
   0.20194024  0.20488721 -0.02021675
   0.35401157  0.10173207  0.37663893
   0.15315369  0.43929873  0.11102344
   0.40159406  0.34211389  0.24803797
   0.06912278  0.11042695  0.47574718
   0.41971639  0.12826371  0.83628492
   0.13009963  0.36905110  0.59027351
   0.37421836  0.37468983  0.74404546
   0.14058365  0.69948029 -0.00302240
   0.43851720  0.58677581  0.37777404
   0.07942411  0.91102744  0.14594318
   0.32677853  0.84348472  0.26923750
   0.15825169  0.57220547  0.50411505
   0.36049550  0.64929515  0.84254765
   0.11228664  0.86655512  0.60327044
   0.40370098  0.95517453  0.66919050
   0.63634092  0.12979036  0.99619274
   0.82697638  0.13437715  0.33063398
   0.60350775  0.40807614  0.09038053
   0.88122788  0.32381232  0.14432112
   0.62031233  0.17425276  0.48166530
   0.92815519  0.12992080  0.90042591
   0.62944823  0.41009804  0.62578513
   0.78068335  0.37228051  0.81067434
   0.57483021  0.68723659 -0.01999070
   0.92265974  0.59975590  0.36242568
   0.55729247  0.90768352  0.12980919
   0.81977482  0.85904514  0.24358154
   0.68088037  0.67340052  0.47564683
   0.85186918  0.66661353  0.89504787
   0.68506958  0.91038723  0.59789086
   0.87726430  0.90272113  0.75501253
   0.11768255  0.07081884  0.14856320
   0.39520411  0.17337001  0.27384735
   0.18379505  0.35589724  0.01746646
   0.42003131  0.42811823  0.33791772
   0.54804567  0.34243439  0.19122488
   0.27551008  0.39400325  0.18696719
   0.19240020  0.13261330  0.40077572
  -0.06182604  0.16115067  0.41231421
   0.03552124 -0.04099042  0.51689272
   0.47370386  0.23758761  0.76364377
   0.06510975  0.22590704  0.55893094
   0.36665399  0.48494164  0.82625378
   0.47426632  0.43885169  0.66130002
   0.21904631  0.36239183  0.69354210
   0.28728598  0.21349795 -0.11997192
   0.05748648  0.14023563  0.96759985
   0.13690627  0.59625631  0.09401328
   0.38640269  0.67874904  0.28116206
   0.12409269  0.84564798  0.04520660
   0.35528919  0.92675325  0.36735846
   0.41165483  0.93728411  0.18440658
   0.16360608  0.83604020  0.23507399
   0.37097739  0.65080432  0.46598465
   0.08886687  0.59365110  0.39533196
   0.25445842  0.41934065  0.51281572
   0.29393922  0.70672405  0.74984961
   0.13761217  0.72841372  0.54752022
   0.37092237  0.98815210  0.78291966
   0.53018165  0.84036970  0.65963859
   0.25014774  0.95962213  0.62226352
   0.28716830  0.68404156 -0.05425796
   0.01955991  0.67295502  0.91293601
   0.61954812  0.05632468  0.09741560
   0.83942848  0.21791342  0.22887346
   0.58481893  0.29173112  0.01235448
   0.85702365  0.45795172  0.32832226
   0.01814825  0.38890860  0.16231987
   0.76532659  0.44181696  0.11633395
   0.67828244  0.19227430  0.37443024
   0.46272895  0.11898212  0.45564525
   0.71210842  0.05522884  0.53304420
   0.90879920  0.26224854  0.83298128
   0.62446867  0.30797749  0.53870136
   0.82496524  0.51930952  0.84365071
   1.03225536  0.50326146  0.58467112
   0.76651424  0.38341331  0.69248611
   0.79293774  0.11193447  0.96260282
   0.53640117  0.07720427  0.91537433
   0.54002851  0.56249770  0.05986776
   0.89973855  0.72871570  0.29074149
   0.52332756  0.83563258  0.03032207
   0.80944226  0.97234060  0.31935806
   0.91442711  0.88364625  0.15786281
   0.67135296  0.82791986  0.19738825
   0.84355446  0.66583944  0.46422293
   0.60939971  0.56589338  0.39873259
   0.66431002  0.58412078  0.58187219
   0.81381718  0.78197321  0.82254973
   0.61217146  0.82779889  0.47900790
   0.94856826  0.98965865  0.83474134
   1.00987884  0.85683228  0.69291105
   0.75160256  0.97662940  0.69965806
   0.74464244  0.68496359  0.97912215
   0.53061296  0.66330543  0.87032334
   0.77970129  0.78889205  0.60592779
   0.38608581  0.85143669  0.49501562
   0.90242785  0.23258785  0.06808457
   0.76681776  0.46622581  0.30400641
   0.46454660  0.07690286  0.63616589
   0.32924789  0.94268486  0.94533359
   0.16958640  1.09412003  0.16798449
   0.30891923  1.13791996  0.04092451
   0.66614872  0.32582736  0.86406845
   0.58020982  0.65035619  0.60691657
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.621443    0.299810   -0.142103
    -0.000000    9.925032    0.077880
    -0.000000    0.000000   14.134334
   Si   O    H 
    32    64    10
Direct configuration=  3086
   0.20276755  0.20430972 -0.02052299
   0.35460138  0.10146437  0.37664232
   0.15271984  0.43926083  0.11174277
   0.40193013  0.34142257  0.24777901
   0.06855541  0.11044854  0.47459281
   0.41865355  0.12823270  0.83609831
   0.13013669  0.36792653  0.59095119
   0.37429288  0.37560992  0.74363084
   0.14036186  0.70009798 -0.00267641
   0.43848619  0.58422678  0.37723183
   0.07972524  0.91179147  0.14582358
   0.32747107  0.84365323  0.26865509
   0.16055766  0.57225193  0.50444419
   0.36084896  0.64819324  0.84233366
   0.11137715  0.86499701  0.60272645
   0.40262174  0.95649179  0.66900131
   0.63520093  0.12891494  0.99536217
   0.82699469  0.13383326  0.33185943
   0.60527652  0.40766933  0.09045698
   0.88047541  0.32305100  0.14342773
   0.61834122  0.17300349  0.48207346
   0.92904250  0.13042990  0.89945906
   0.63004902  0.41028620  0.62555416
   0.78062836  0.37138966  0.80986090
   0.57580850  0.68801476 -0.01985098
   0.92250560  0.59984247  0.36174168
   0.55737770  0.90630543  0.13015663
   0.81991030  0.85798198  0.24337814
   0.68108258  0.67296451  0.47628967
   0.85344009  0.66636391  0.89572161
   0.68454830  0.91159935  0.59845061
   0.87702085  0.90258002  0.75462788
   0.11402629  0.06936081  0.14625374
   0.39576498  0.17386343  0.27215747
   0.18362133  0.35524294  0.01717811
   0.42242953  0.42694655  0.33839269
   0.54914659  0.34162646  0.19172439
   0.27499118  0.39307466  0.18760542
   0.19255154  0.13358391  0.40134020
  -0.06167955  0.16109244  0.41242112
   0.03610923 -0.04058653  0.51731357
   0.47479887  0.23931647  0.76449527
   0.06637106  0.22724252  0.55944959
   0.36569446  0.48504817  0.82539738
   0.47371306  0.43830255  0.66138172
   0.21857265  0.36318700  0.69324910
   0.28519033  0.21512898 -0.11942338
   0.05763449  0.13913918  0.96845419
   0.13747610  0.59603195  0.09175892
   0.38685858  0.67924161  0.28147008
   0.12411682  0.84593609  0.04625840
   0.35517529  0.92829428  0.36733660
   0.41226181  0.93660209  0.18450599
   0.16651088  0.83497180  0.23466303
   0.37150970  0.65084843  0.46535027
   0.08756757  0.59294853  0.39509630
   0.25549134  0.41885215  0.51241222
   0.29433266  0.70678522  0.75040812
   0.13895761  0.72813640  0.54790958
   0.37223559  0.98706370  0.78300153
   0.53015985  0.83917231  0.65960562
   0.25143530  0.95820499  0.62197072
   0.28666309  0.68483148 -0.05391760
   0.02014978  0.67376036  0.91422235
   0.62080332  0.05603715  0.09763021
   0.84074207  0.21878534  0.22934651
   0.58508627  0.29323832  0.01193349
   0.85720880  0.45925306  0.32944656
   0.01868919  0.38902850  0.16292292
   0.76742981  0.44014179  0.11644495
   0.67708804  0.19284677  0.37368562
   0.46385178  0.11852595  0.45528980
   0.71240093  0.05593166  0.53309649
   0.90844759  0.26327728  0.83305674
   0.62379361  0.30904016  0.53809161
   0.82470483  0.51988863  0.84336736
   1.03215618  0.50233435  0.58480014
   0.76656114  0.38372160  0.69297409
   0.79275484  0.11014995  0.96178978
   0.53489709  0.07744018  0.91494799
   0.53899988  0.56203828  0.06011725
   0.90092736  0.72640600  0.29105656
   0.52467321  0.83484902  0.03017836
   0.81028341  0.97268512  0.31853400
   0.91606600  0.88469187  0.15803251
   0.67311353  0.82799338  0.19757788
   0.84371183  0.66657711  0.46426203
   0.60982137  0.56763968  0.39876806
   0.66197668  0.58577512  0.58194548
   0.81283299  0.78241254  0.82225660
   0.61154975  0.82686842  0.47855275
   0.94956328  0.99141118  0.83608319
   1.01000826  0.85647976  0.69355539
   0.75296225  0.97929687  0.69990889
   0.74592441  0.68425055  0.97858580
   0.53041755  0.66402750  0.87007879
   0.77595337  0.79287561  0.60782741
   0.38024354  0.84453742  0.49057689
   0.90719401  0.23787057  0.06672544
   0.75246594  0.47706554  0.28954055
   0.46228507  0.07696725  0.63773853
   0.33194894  0.93785843  0.94794443
   0.22205396  1.12781606  0.18785136
   0.30358891  1.14013803  0.03786995
   0.66964288  0.32355756  0.86045308
   0.57944637  0.64940355  0.61162126
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.622938    0.300902   -0.142273
    -0.000000    9.928356    0.078522
    -0.000000    0.000000   14.136182
   Si   O    H 
    32    64    10
Direct configuration=  3087
   0.20389300  0.20428764 -0.02078210
   0.35497558  0.10092649  0.37634268
   0.15238283  0.43926347  0.11251766
   0.40244877  0.33975783  0.24771946
   0.06825604  0.11126963  0.47351567
   0.41820850  0.12815288  0.83553393
   0.13036919  0.36656784  0.59173779
   0.37452011  0.37689603  0.74333195
   0.13956099  0.70055354 -0.00194512
   0.43826015  0.58234436  0.37626063
   0.07994846  0.91215239  0.14585311
   0.32751088  0.84325722  0.26801268
   0.16232879  0.57294685  0.50440816
   0.36098988  0.64698509  0.84206611
   0.11147845  0.86313346  0.60214483
   0.40248406  0.95769327  0.66946617
   0.63483837  0.12886559  0.99455794
   0.82673731  0.13380876  0.33278381
   0.60656406  0.40781505  0.09049432
   0.87991208  0.32226420  0.14263494
   0.61721174  0.17178062  0.48189624
   0.92958664  0.13085366  0.89821436
   0.63105249  0.41095167  0.62475952
   0.78081600  0.37038560  0.80857428
   0.57681615  0.68862280 -0.01897609
   0.92216570  0.59990499  0.36147499
   0.55780446  0.90536023  0.13052634
   0.81973890  0.85654935  0.24332521
   0.68103164  0.67325215  0.47675670
   0.85531140  0.66597872  0.89565616
   0.68351833  0.91322111  0.59876813
   0.87740698  0.90233850  0.75430783
   0.11159713  0.06802812  0.14476388
   0.39630375  0.17409772  0.27075583
   0.18330470  0.35538812  0.01650870
   0.42471147  0.42661231  0.33929309
   0.55104089  0.34117556  0.19211025
   0.27425302  0.39244931  0.18749866
   0.19290531  0.13435062  0.40137141
  -0.06161342  0.16076299  0.41213594
   0.03643210 -0.03941918  0.51762809
   0.47577104  0.24087415  0.76467893
   0.06757326  0.22868478  0.55989949
   0.36495060  0.48499530  0.82526026
   0.47296263  0.43829680  0.66148194
   0.21855812  0.36434918  0.69284725
   0.28332688  0.21677084 -0.11941778
   0.05836681  0.13780640  0.96963817
   0.13844032  0.59604935  0.08926644
   0.38792726  0.68047673  0.28162098
   0.12457021  0.84622550  0.04738597
   0.35458318  0.92923473  0.36764103
   0.41241746  0.93568680  0.18464543
   0.16872148  0.83386095  0.23403198
   0.37097954  0.65167751  0.46463503
   0.08588632  0.59162706  0.39492840
   0.25598066  0.41837503  0.51259173
   0.29398409  0.70768657  0.75064159
   0.14117261  0.72792594  0.54846656
   0.37297972  0.98570638  0.78284739
   0.53067368  0.83754745  0.65932165
   0.25197101  0.95592880  0.62216674
   0.28554467  0.68572485 -0.05408962
   0.02108886  0.67452681  0.91577216
   0.62116748  0.05505420  0.09823836
   0.84160352  0.21886587  0.22955114
   0.58617927  0.29451256  0.01177277
   0.85590526  0.46009976  0.33007669
   0.01926222  0.39021240  0.16392505
   0.76877236  0.43787444  0.11656476
   0.67623015  0.19330783  0.37309784
   0.46544929  0.11763107  0.45563782
   0.71274929  0.05556267  0.53319768
   0.90818364  0.26481780  0.83323571
   0.62287716  0.31112241  0.53763577
   0.82425560  0.52027383  0.84271828
   1.03300407  0.50147267  0.58470780
   0.76542927  0.38470574  0.69335505
   0.79253179  0.10838641  0.96128244
   0.53360080  0.07757041  0.91472859
   0.53802431  0.56107998  0.06047010
   0.90170550  0.72459141  0.29024963
   0.52637825  0.83331677  0.02992134
   0.81136206  0.97312691  0.31780494
   0.91843341  0.88597046  0.15777596
   0.67481459  0.82906882  0.19794069
   0.84364077  0.66557939  0.46398626
   0.60985260  0.56931597  0.39873912
   0.65973399  0.58783693  0.58201864
   0.81146274  0.78293279  0.82101860
   0.61067426  0.82623522  0.47850910
   0.95020678  0.99407512  0.83766759
   1.01085354  0.85645373  0.69425165
   0.75320767  0.98197378  0.70021127
   0.74644044  0.68355791  0.97841317
   0.53002552  0.66447202  0.87005184
   0.77392608  0.79393011  0.60893329
   0.37717225  0.83798955  0.49057042
   0.90772683  0.24179832  0.06331425
   0.75025223  0.48396795  0.28264623
   0.46269314  0.08586995  0.63375854
   0.33166764  0.93212672  0.94998043
   0.25760785  1.14884080  0.20002935
   0.30274054  1.13938025  0.03911491
   0.66432742  0.32001677  0.86053191
   0.58093570  0.64589353  0.61587602
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.624729    0.301701   -0.141944
    -0.000000    9.931893    0.079229
    -0.000000    0.000000   14.138752
   Si   O    H 
    32    64    10
Direct configuration=  3088
   0.20444982  0.20461884 -0.02084602
   0.35532435  0.09965375  0.37561114
   0.15210083  0.43890356  0.11342760
   0.40309052  0.33877238  0.24754317
   0.06817916  0.11230264  0.47279440
   0.41768930  0.12772513  0.83509329
   0.13094404  0.36540452  0.59257451
   0.37433086  0.37875367  0.74297393
   0.13871881  0.70158662 -0.00170661
   0.43843054  0.58056756  0.37525414
   0.08021435  0.91241146  0.14621757
   0.32808752  0.84224750  0.26742064
   0.16400886  0.57306417  0.50416421
   0.36164586  0.64512888  0.84220061
   0.11149230  0.86165191  0.60200324
   0.40258883  0.95868402  0.67013953
   0.63390881  0.12941748  0.99389020
   0.82668580  0.13386476  0.33349954
   0.60819218  0.40759566  0.09034098
   0.87932632  0.32149898  0.14193743
   0.61699252  0.17061837  0.48153422
   0.92947699  0.13095316  0.89718038
   0.63161701  0.41226975  0.62423128
   0.78129857  0.36956620  0.80746379
   0.57742118  0.68877964 -0.01824442
   0.92154901  0.60017686  0.36165686
   0.55819167  0.90466710  0.13036947
   0.81929856  0.85524865  0.24300394
   0.68028435  0.67401760  0.47681190
   0.85661840  0.66549824  0.89560662
   0.68270277  0.91447044  0.59897176
   0.87782200  0.90196655  0.75435780
   0.11008765  0.06762122  0.14396490
   0.39620551  0.17426709  0.26996017
   0.18332474  0.35580260  0.01614857
   0.42591803  0.42687151  0.34001477
   0.55260267  0.34148597  0.19119437
   0.27291886  0.39247051  0.18767827
   0.19454005  0.13525422  0.40178219
  -0.06237382  0.16074481  0.41196934
   0.03646702 -0.03834234  0.51783100
   0.47622485  0.24231374  0.76464197
   0.06887492  0.22987335  0.55928324
   0.36321907  0.48541603  0.82516383
   0.47283116  0.43852824  0.66143297
   0.21938732  0.36563649  0.69209564
   0.28186812  0.21741685 -0.11966022
   0.05931262  0.13677934  0.97109078
   0.13987224  0.59678060  0.08708258
   0.38949787  0.68192407  0.28169140
   0.12574562  0.84663216  0.04793805
   0.35399526  0.93072637  0.36738631
   0.41336757  0.93413610  0.18450373
   0.17165442  0.83243542  0.23310869
   0.36987226  0.65264575  0.46415424
   0.08508246  0.59024474  0.39482619
   0.25577726  0.41772909  0.51276981
   0.29380735  0.70998720  0.75101331
   0.14343419  0.72757861  0.54848736
   0.37457096  0.98494193  0.78235517
   0.53047290  0.83663834  0.65857066
   0.25245569  0.95377247  0.62166562
   0.28528017  0.68649095 -0.05483998
   0.02154858  0.67568500  0.91733133
   0.62204476  0.05382495  0.09842109
   0.84173566  0.21907560  0.22991646
   0.58758544  0.29477149  0.01144553
   0.85388527  0.46136567  0.32970164
   0.01939650  0.39158812  0.16521927
   0.76970441  0.43618776  0.11651648
   0.67512925  0.19361470  0.37274790
   0.46679704  0.11632546  0.45582880
   0.71275713  0.05501651  0.53309687
   0.90785301  0.26619487  0.83332474
   0.62210094  0.31335623  0.53691877
   0.82422303  0.52111756  0.84210697
   1.03286859  0.50052099  0.58456658
   0.76416327  0.38596778  0.69330736
   0.79268582  0.10654390  0.96061792
   0.53187815  0.07748720  0.91409793
   0.53666882  0.56032941  0.06071292
   0.90255361  0.72284593  0.29000517
   0.52777145  0.83136378  0.02973683
   0.81244122  0.97338577  0.31739023
   0.92009153  0.88766518  0.15740543
   0.67525624  0.83013069  0.19805343
   0.84391866  0.66476231  0.46321672
   0.61064494  0.57172327  0.39898319
   0.65693743  0.58952431  0.58221842
   0.81023288  0.78383184  0.81979237
   0.60905567  0.82571042  0.47833799
   0.95104169  0.99618815  0.83918263
   1.01216409  0.85618388  0.69437415
   0.75390340  0.98445356  0.70055450
   0.74668013  0.68268537  0.97850760
   0.52967928  0.66516203  0.87013419
   0.77209330  0.79383346  0.60867810
   0.37594140  0.82812669  0.49278758
   0.90818760  0.23958849  0.06028920
   0.75940333  0.48935035  0.28236910
   0.46531576  0.09320401  0.62899898
   0.32909192  0.92670236  0.95122319
   0.28765966  1.16072586  0.21267583
   0.30682001  1.13446813  0.04268719
   0.65721932  0.31720040  0.85956914
   0.58744405  0.64316419  0.61693264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.626377    0.302616   -0.141424
    -0.000000    9.935168    0.079752
    -0.000000    0.000000   14.142051
   Si   O    H 
    32    64    10
Direct configuration=  3089
   0.20542727  0.20467648 -0.02064080
   0.35457482  0.09805746  0.37455108
   0.15210750  0.43903670  0.11396462
   0.40460692  0.33805185  0.24725151
   0.06783624  0.11314514  0.47208768
   0.41685298  0.12716107  0.83464867
   0.13183332  0.36474796  0.59349077
   0.37416305  0.38114689  0.74230566
   0.13808823  0.70172454 -0.00154133
   0.43899011  0.57927645  0.37446906
   0.08064740  0.91231796  0.14673239
   0.32880218  0.84139769  0.26665895
   0.16577166  0.57314130  0.50362710
   0.36219352  0.64377557  0.84242311
   0.11102491  0.86074026  0.60194423
   0.40358521  0.95900474  0.67105600
   0.63321140  0.12986613  0.99333475
   0.82616762  0.13421812  0.33432120
   0.60952222  0.40717869  0.09036965
   0.87940363  0.31958002  0.14132723
   0.61699479  0.16913261  0.48104507
   0.92973436  0.13114521  0.89640663
   0.63239520  0.41378428  0.62389782
   0.78226648  0.36937561  0.80673825
   0.57798702  0.68902818 -0.01744474
   0.92084641  0.60051954  0.36199393
   0.55916094  0.90440230  0.13007005
   0.81926057  0.85366819  0.24239770
   0.67945420  0.67518006  0.47692118
   0.85787627  0.66516189  0.89574969
   0.68199121  0.91565914  0.59912804
   0.87870111  0.90171847  0.75455027
   0.10955654  0.06740075  0.14355191
   0.39610047  0.17380065  0.26919376
   0.18291436  0.35606856  0.01603300
   0.42685347  0.42617016  0.34009473
   0.55297978  0.34091125  0.19033234
   0.27154007  0.39246969  0.18812596
   0.19679207  0.13594037  0.40253777
  -0.06374997  0.16043127  0.41113725
   0.03699389 -0.03688594  0.51821889
   0.47607325  0.24352123  0.76393980
   0.06900750  0.23059081  0.55862753
   0.36222280  0.48514272  0.82503966
   0.47348318  0.43790874  0.66141888
   0.22051734  0.36638752  0.69169245
   0.28068865  0.21742292 -0.12003163
   0.05935758  0.13460555  0.97164804
   0.14037570  0.59729855  0.08543426
   0.39060006  0.68339101  0.28250030
   0.12659346  0.84665505  0.04815637
   0.35317552  0.93214233  0.36650632
   0.41396445  0.93287144  0.18434170
   0.17346957  0.83101319  0.23203582
   0.36842697  0.65419192  0.46365936
   0.08465886  0.58856867  0.39507063
   0.25505921  0.41731034  0.51298204
   0.29362047  0.71218230  0.75139730
   0.14615905  0.72684426  0.54817098
   0.37599508  0.98437768  0.78221572
   0.53029370  0.83610564  0.65734792
   0.25233739  0.95121195  0.62151057
   0.28519330  0.68744761 -0.05510685
   0.02150769  0.67686268  0.91854938
   0.62336548  0.05164079  0.09814722
   0.84141319  0.21938857  0.23057184
   0.58908184  0.29534863  0.01150710
   0.85137687  0.46197095  0.32877736
   0.01957304  0.39328394  0.16645253
   0.77078100  0.43438639  0.11647188
   0.67451663  0.19302040  0.37261916
   0.46756600  0.11529095  0.45690284
   0.71265215  0.05391174  0.53285309
   0.90845623  0.26719572  0.83320450
   0.62232131  0.31564713  0.53585024
   0.82431895  0.52209413  0.84176954
   1.03229461  0.49960632  0.58429518
   0.76322608  0.38684181  0.69387811
   0.79264389  0.10445527  0.96034208
   0.52920093  0.07725886  0.91319381
   0.53511699  0.55890413  0.06064252
   0.90323256  0.72104313  0.28972099
   0.52809531  0.82916741  0.02942796
   0.81363491  0.97345564  0.31708367
   0.92081635  0.88872034  0.15730967
   0.67563766  0.83101912  0.19821718
   0.84442016  0.66458296  0.46210867
   0.61135203  0.57370422  0.39891352
   0.65484358  0.58980554  0.58270746
   0.80817781  0.78438802  0.81882602
   0.60817749  0.82393151  0.47896790
   0.95218705  0.99771795  0.84044282
   1.01354576  0.85644559  0.69376358
   0.75442634  0.98682148  0.70023767
   0.74655352  0.68130913  0.97880642
   0.52880977  0.66635588  0.87125560
   0.77462846  0.79011821  0.60837936
   0.37320987  0.81455759  0.49433206
   0.90567152  0.23517744  0.05719462
   0.77787660  0.49389521  0.28505947
   0.46996393  0.09473389  0.62560546
   0.32690005  0.92425784  0.95173779
   0.31828028  1.16565952  0.22526964
   0.30994949  1.12683558  0.04489180
   0.64911492  0.31733426  0.85657031
   0.58826228  0.64723185  0.61736169
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.628430    0.303525   -0.141247
    -0.000000    9.938626    0.080248
    -0.000000    0.000000   14.145091
   Si   O    H 
    32    64    10
Direct configuration=  3090
   0.20647204  0.20464808 -0.02050654
   0.35438790  0.09573918  0.37379007
   0.15222192  0.43944586  0.11479143
   0.40597856  0.33748660  0.24655777
   0.06711500  0.11406160  0.47168236
   0.41674419  0.12626624  0.83433971
   0.13317910  0.36457439  0.59448801
   0.37437140  0.38354402  0.74148117
   0.13730822  0.70183824 -0.00154130
   0.43965653  0.57886610  0.37318303
   0.08159263  0.91268702  0.14737471
   0.33029353  0.84033426  0.26650996
   0.16733984  0.57282123  0.50311410
   0.36304960  0.64229132  0.84282901
   0.11083762  0.86061324  0.60142031
   0.40484350  0.95948911  0.67184441
   0.63261821  0.13053951  0.99273406
   0.82527953  0.13430375  0.33436717
   0.61030419  0.40659901  0.09056324
   0.88014801  0.31744101  0.14080683
   0.61677737  0.16834133  0.48036436
   0.92916170  0.13099462  0.89561959
   0.63326232  0.41455918  0.62356477
   0.78268515  0.36957273  0.80621105
   0.57840644  0.68927131 -0.01696037
   0.92008357  0.60031308  0.36232098
   0.56018247  0.90398277  0.12909418
   0.81985083  0.85179967  0.24223130
   0.67853363  0.67582458  0.47667939
   0.85895470  0.66541790  0.89581211
   0.68160732  0.91728200  0.59912254
   0.87955781  0.90202828  0.75466078
   0.10931843  0.06786612  0.14319871
   0.39662691  0.17295350  0.26855445
   0.18315890  0.35669375  0.01671937
   0.42681835  0.42527033  0.34038450
   0.55292041  0.34027980  0.18979391
   0.27039216  0.39390190  0.18849409
   0.19823215  0.13644166  0.40309725
  -0.06396617  0.16050202  0.41080362
   0.03752536 -0.03472128  0.51847486
   0.47567654  0.24423079  0.76325064
   0.06997439  0.23004479  0.55809633
   0.36111922  0.48442409  0.82541776
   0.47471079  0.43824915  0.66071751
   0.22148488  0.36695060  0.69174911
   0.28010240  0.21732888 -0.12038825
   0.05947467  0.13254118  0.97210337
   0.14079883  0.59764573  0.08390240
   0.39203168  0.68477684  0.28313408
   0.12758395  0.84677019  0.04763760
   0.35226715  0.93275218  0.36525218
   0.41440202  0.93158120  0.18445483
   0.17405107  0.83024804  0.23141767
   0.36736981  0.65598786  0.46321502
   0.08507353  0.58714627  0.39504509
   0.25466987  0.41782337  0.51303114
   0.29375206  0.71476606  0.75144058
   0.14832964  0.72526698  0.54739828
   0.37761188  0.98338997  0.78268430
   0.53090767  0.83652508  0.65608270
   0.25194458  0.94783343  0.62123949
   0.28546493  0.68765563 -0.05538446
   0.02161692  0.67798642  0.91891125
   0.62361747  0.04991009  0.09778440
   0.84050816  0.21963252  0.23125481
   0.59005573  0.29500849  0.01124204
   0.84861183  0.46288739  0.32759649
   0.01946938  0.39441104  0.16757242
   0.77210383  0.43349395  0.11595424
   0.67400550  0.19249969  0.37272496
   0.46695546  0.11440721  0.45749687
   0.71112177  0.05266902  0.53265792
   0.90901281  0.26842835  0.83272683
   0.62303176  0.31806680  0.53435565
   0.82431750  0.52286808  0.84165864
   1.03238594  0.49863177  0.58376846
   0.76208446  0.38840399  0.69405074
   0.79141151  0.10262219  0.96010537
   0.52595413  0.07658922  0.91247788
   0.53332788  0.55743430  0.06031551
   0.90365604  0.71902437  0.28919837
   0.52770496  0.82716352  0.02973158
   0.81516631  0.97356086  0.31733868
   0.92021449  0.88868722  0.15705531
   0.67553212  0.83112345  0.19829574
   0.84481576  0.66391955  0.46100056
   0.61153475  0.57543441  0.39886738
   0.65297856  0.58925504  0.58341585
   0.80709869  0.78525007  0.81787684
   0.60661208  0.82183999  0.47966471
   0.95413073  0.99917807  0.84046022
   1.01375445  0.85610929  0.69360272
   0.75467926  0.98868317  0.69984286
   0.74665943  0.68006075  0.97889107
   0.52731656  0.66767994  0.87256896
   0.77427726  0.78736651  0.60648374
   0.37179330  0.80245409  0.49257920
   0.90078551  0.22963077  0.05713612
   0.79519099  0.49412026  0.28862670
   0.47291746  0.08785911  0.62361159
   0.32367798  0.92688110  0.95026618
   0.34290153  1.16685688  0.23430764
   0.31320416  1.12666790  0.04669549
   0.64847386  0.32022195  0.85110526
   0.58732024  0.65761923  0.62013583
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.630687    0.304462   -0.141384
    -0.000000    9.942454    0.081021
    -0.000000    0.000000   14.148120
   Si   O    H 
    32    64    10
Direct configuration=  3091
   0.20740186  0.20404369 -0.01990797
   0.35415704  0.09254846  0.37354084
   0.15335908  0.43967866  0.11541227
   0.40731551  0.33713475  0.24574650
   0.06688983  0.11477861  0.47159703
   0.41579922  0.12591387  0.83388325
   0.13524967  0.36511841  0.59529858
   0.37477342  0.38537989  0.74047683
   0.13688295  0.70145852 -0.00164943
   0.44089156  0.57856260  0.37178649
   0.08232519  0.91287085  0.14757309
   0.33152519  0.83935641  0.26665482
   0.16780217  0.57249029  0.50236806
   0.36377350  0.64131071  0.84302541
   0.11116617  0.86146620  0.60115050
   0.40621225  0.95940016  0.67197892
   0.63182585  0.13165164  0.99276484
   0.82444144  0.13489727  0.33388273
   0.61083445  0.40712529  0.09070027
   0.88141315  0.31552546  0.14059134
   0.61667404  0.16793207  0.47943024
   0.92901174  0.13097949  0.89484120
   0.63449471  0.41543562  0.62315395
   0.78283543  0.36981134  0.80642202
   0.57885990  0.68815446 -0.01668455
   0.91949516  0.60003583  0.36284643
   0.56101544  0.90360896  0.12787721
   0.82076177  0.85024337  0.24184282
   0.67750122  0.67618067  0.47630334
   0.85936394  0.66553373  0.89598685
   0.68120955  0.91873072  0.59920766
   0.88036051  0.90279443  0.75473487
   0.10908108  0.06888454  0.14268832
   0.40401071  0.17329698  0.27198896
   0.18391833  0.35716021  0.01769946
   0.42625769  0.42379058  0.34037203
   0.55281913  0.33975667  0.18935782
   0.26955825  0.39478197  0.18957833
   0.19975931  0.13627913  0.40283168
  -0.06340636  0.16102246  0.41054455
   0.03836585 -0.03333110  0.51926842
   0.47487742  0.24554993  0.76248422
   0.07096588  0.22847735  0.55760263
   0.35961297  0.48276963  0.82598569
   0.47701056  0.43870838  0.66047631
   0.22297206  0.36726208  0.69166551
   0.28009027  0.21697222 -0.12089722
   0.05865833  0.13153946  0.97222272
   0.14147651  0.59772032  0.08290337
   0.39339989  0.68584509  0.28392529
   0.12834187  0.84741258  0.04750784
   0.35128607  0.93342753  0.36396801
   0.41446608  0.92965679  0.18464809
   0.17473029  0.82855131  0.23058478
   0.36581012  0.65788087  0.46268021
   0.08614246  0.58532932  0.39502198
   0.25411836  0.41793581  0.51295047
   0.29427912  0.71681902  0.75164707
   0.14998056  0.72397816  0.54596668
   0.37886522  0.98221973  0.78334148
   0.53120737  0.83765959  0.65488522
   0.25245125  0.94465650  0.62065292
   0.28629398  0.68723764 -0.05588496
   0.02166537  0.67905307  0.91923654
   0.62421383  0.04820745  0.09741802
   0.83991931  0.21971141  0.23148768
   0.59100382  0.29407162  0.01087897
   0.84875328  0.46159799  0.32851275
   0.01944374  0.39623805  0.16861835
   0.77286920  0.43392164  0.11545060
   0.67355864  0.19215492  0.37273455
   0.46600747  0.11373956  0.45835458
   0.70992987  0.05083561  0.53234094
   0.91019931  0.26933981  0.83194726
   0.62300176  0.31901833  0.53309819
   0.82373377  0.52407983  0.84117919
   1.03308705  0.49770277  0.58291753
   0.76106261  0.39011906  0.69369346
   0.78991169  0.10075514  0.95963967
   0.52271302  0.07609607  0.91215383
   0.53228254  0.55663587  0.05981560
   0.90262828  0.71747978  0.28811267
   0.52717731  0.82529329  0.03011699
   0.81686417  0.97356806  0.31751345
   0.91919202  0.88829859  0.15723430
   0.67460898  0.83101667  0.19872070
   0.84528520  0.66293114  0.45903535
   0.61088643  0.57669402  0.39856255
   0.65174942  0.58739451  0.58399474
   0.80594135  0.78583242  0.81670739
   0.60517719  0.82071348  0.48053615
   0.95535533  0.99979996  0.83985429
   1.01355285  0.85518042  0.69367448
   0.75466337  0.99098620  0.69953185
   0.74637446  0.68013699  0.97864564
   0.52571882  0.66912897  0.87423740
   0.77274600  0.78788426  0.60498727
   0.37140441  0.77946655  0.48695932
   0.89697787  0.22146670  0.05879841
   0.76945705  0.51504926  0.26214382
   0.47211781  0.07957254  0.62261826
   0.31884709  0.93094635  0.94845978
   0.25549448  1.14906282  0.16843263
   0.31587048  1.12913539  0.04673772
   0.65098072  0.32406589  0.84452427
   0.59148882  0.66666728  0.62221672
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.632954    0.305470   -0.141616
    -0.000000    9.946722    0.082057
    -0.000000    0.000000   14.151346
   Si   O    H 
    32    64    10
Direct configuration=  3092
   0.20791160  0.20319639 -0.01910114
   0.35417825  0.08972814  0.37335848
   0.15438239  0.43942776  0.11601901
   0.40829318  0.33679922  0.24507233
   0.06699409  0.11516599  0.47179311
   0.41452318  0.12593371  0.83399097
   0.13728752  0.36601756  0.59587088
   0.37499914  0.38660311  0.73947887
   0.13668849  0.70113444 -0.00209443
   0.44210694  0.57818698  0.37068665
   0.08302568  0.91297850  0.14748039
   0.33301175  0.83818263  0.26699457
   0.16800515  0.57255712  0.50172038
   0.36456733  0.64025056  0.84286659
   0.11201744  0.86198504  0.60094610
   0.40772110  0.95902557  0.67228225
   0.63203981  0.13248990  0.99297972
   0.82321465  0.13506452  0.33337123
   0.61124718  0.40765237  0.09069438
   0.88259819  0.31375263  0.14102242
   0.61597649  0.16816733  0.47857633
   0.92860837  0.13083924  0.89426907
   0.63499904  0.41662394  0.62249499
   0.78272294  0.37055637  0.80661059
   0.57914330  0.68660972 -0.01645596
   0.91932167  0.59999431  0.36338574
   0.56152856  0.90392620  0.12645975
   0.82198336  0.84902460  0.24103776
   0.67643008  0.67589553  0.47610483
   0.85934541  0.66514499  0.89536458
   0.68091336  0.91984005  0.59961999
   0.88136253  0.90310682  0.75514450
   0.10964046  0.07089514  0.14256880
   0.41047527  0.17351679  0.27523172
   0.18460442  0.35754306  0.01858430
   0.42593166  0.42230234  0.34056790
   0.55194941  0.34008021  0.18854002
   0.27001691  0.39538970  0.18973706
   0.20103860  0.13531899  0.40241253
  -0.06284370  0.16093057  0.40996787
   0.03966717 -0.03166051  0.51974492
   0.47420240  0.24686633  0.76222324
   0.07194413  0.22683557  0.55671821
   0.35774214  0.48089675  0.82653611
   0.47973999  0.43960698  0.66000128
   0.22504165  0.36699527  0.69167010
   0.28013558  0.21624672 -0.12143266
   0.05821720  0.13077904  0.97189178
   0.14187837  0.59735088  0.08233323
   0.39494373  0.68657855  0.28433984
   0.12981125  0.84817544  0.04795299
   0.34990795  0.93344383  0.36251000
   0.41477148  0.92704706  0.18486359
   0.17457060  0.82693336  0.23006239
   0.36334037  0.66050541  0.46261731
   0.08723087  0.58471966  0.39558890
   0.25329594  0.41795066  0.51329829
   0.29406903  0.71855294  0.75166059
   0.15092526  0.72245637  0.54487893
   0.37951447  0.98194224  0.78396109
   0.53161002  0.83917047  0.65358763
   0.25167084  0.94191989  0.62019751
   0.28647570  0.68686415 -0.05592485
   0.02180640  0.67924568  0.91919674
   0.62471724  0.04730133  0.09635370
   0.84015350  0.21945332  0.23174022
   0.59149228  0.29282683  0.01023065
   0.84826061  0.46067714  0.32891539
   0.01978681  0.39783069  0.16999186
   0.77314482  0.43429252  0.11478523
   0.67321821  0.19198607  0.37222056
   0.46460002  0.11333800  0.45909320
   0.70831084  0.04868560  0.53214762
   0.91145948  0.26980567  0.83099661
   0.62321637  0.31953811  0.53168891
   0.82336651  0.52482595  0.84066883
   1.03487283  0.49711546  0.58154352
   0.75933464  0.39118832  0.69389039
   0.78860652  0.09855624  0.95900608
   0.51995408  0.07550798  0.91150254
   0.53102210  0.55606905  0.05852774
   0.90202140  0.71701420  0.28678943
   0.52649031  0.82352206  0.03019142
   0.81856684  0.97362122  0.31777307
   0.91808693  0.88831160  0.15697972
   0.67355257  0.83057921  0.19840302
   0.84570733  0.66226476  0.45725382
   0.61000463  0.57789031  0.39889860
   0.65040099  0.58550021  0.58485756
   0.80445297  0.78579143  0.81596067
   0.60351872  0.82003070  0.48142563
   0.95632572  1.00023972  0.83892798
   1.01276226  0.85355977  0.69361134
   0.75451120  0.99290523  0.69884161
   0.74658415  0.68073743  0.97860450
   0.52329556  0.67042763  0.87613009
   0.76854483  0.79366276  0.60353209
   0.37273880  0.74327973  0.47899217
   0.89531748  0.21886919  0.06068582
   0.75186496  0.52551258  0.24481225
   0.46882631  0.07401510  0.62116849
   0.31411839  0.93229374  0.94638334
   0.16025074  1.12415777  0.10978622
   0.31586728  1.13231908  0.04566063
   0.65390802  0.32858237  0.84094659
   0.59659952  0.66524220  0.62209031
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.635435    0.306391   -0.141348
    -0.000000    9.950525    0.082676
    -0.000000    0.000000   14.154038
   Si   O    H 
    32    64    10
Direct configuration=  3093
   0.20885561  0.20309891 -0.01850365
   0.35432252  0.08734486  0.37335647
   0.15581843  0.44000162  0.11648002
   0.40909034  0.33598972  0.24481026
   0.06728072  0.11600555  0.47206330
   0.41348477  0.12635215  0.83366512
   0.13897309  0.36690849  0.59601851
   0.37493032  0.38733492  0.73855716
   0.13720399  0.70071624 -0.00271165
   0.44348043  0.57778992  0.36980013
   0.08322006  0.91259330  0.14732920
   0.33412799  0.83706142  0.26755030
   0.16699932  0.57263746  0.50082380
   0.36448422  0.63983436  0.84266308
   0.11316237  0.86181848  0.60090203
   0.40910034  0.95862278  0.67256356
   0.63159399  0.13305223  0.99286677
   0.82237306  0.13534825  0.33268923
   0.61082933  0.40880376  0.09082294
   0.88401708  0.31198979  0.14167264
   0.61599506  0.16870662  0.47779529
   0.92827370  0.13090221  0.89402455
   0.63623513  0.41757150  0.62173236
   0.78267782  0.37110687  0.80695670
   0.57901983  0.68436704 -0.01629898
   0.91918828  0.59938778  0.36399644
   0.56194218  0.90485774  0.12564926
   0.82343417  0.84798359  0.24039026
   0.67483323  0.67562937  0.47604536
   0.85893062  0.66452760  0.89470211
   0.68058951  0.92041200  0.60004786
   0.88235321  0.90404761  0.75536310
   0.10930255  0.07183925  0.14329112
   0.41628521  0.17416747  0.27861458
   0.18444570  0.35757766  0.01957435
   0.42609737  0.42163838  0.34151729
   0.55105693  0.34154928  0.18781882
   0.27075152  0.39582896  0.19096066
   0.20196191  0.13451709  0.40190175
  -0.06241350  0.16052040  0.40953412
   0.04149070 -0.03031197  0.51968717
   0.47426759  0.24798351  0.76208247
   0.07251664  0.22527719  0.55637733
   0.35637676  0.47793188  0.82738147
   0.48279740  0.44004033  0.65973020
   0.22693004  0.36594703  0.69162062
   0.28060592  0.21518001 -0.12226456
   0.05814747  0.13057528  0.97127842
   0.14230811  0.59629541  0.08214902
   0.39684929  0.68728351  0.28452082
   0.13124045  0.84785158  0.04843136
   0.34875802  0.93193074  0.36079520
   0.41519359  0.92443627  0.18543316
   0.17429263  0.82535164  0.22965711
   0.36068076  0.66054400  0.46195895
   0.08900538  0.58437526  0.39584238
   0.25255375  0.41861954  0.51395519
   0.29482462  0.71986419  0.75210398
   0.15154331  0.72222091  0.54368611
   0.38073105  0.98299729  0.78443759
   0.53177903  0.84157518  0.65200349
   0.25163995  0.93948451  0.61964579
   0.28576693  0.68692369 -0.05617844
   0.02227132  0.67930229  0.91923218
   0.62537321  0.04661702  0.09515545
   0.84044480  0.21937652  0.23191843
   0.59205517  0.29132490  0.00952034
   0.84692347  0.45924021  0.32845791
   0.01927691  0.39855135  0.17144219
   0.77313035  0.43520563  0.11375964
   0.67306222  0.19200762  0.37207800
   0.46352801  0.11351754  0.45944609
   0.70753550  0.04778485  0.53214146
   0.91217925  0.27001865  0.82988847
   0.62329348  0.31962635  0.53032859
   0.82265228  0.52511793  0.84063735
   1.03668132  0.49711461  0.58046117
   0.75775187  0.39185586  0.69384460
   0.78792574  0.09660088  0.95799288
   0.51841105  0.07509328  0.91146127
   0.53064475  0.55584215  0.05733446
   0.90192788  0.71664555  0.28565714
   0.52571213  0.82283762  0.03056379
   0.81992025  0.97342282  0.31830119
   0.91710421  0.88897191  0.15653024
   0.67209647  0.82981093  0.19824032
   0.84548368  0.66146268  0.45606413
   0.60906790  0.57912790  0.39866001
   0.64906931  0.58452718  0.58560227
   0.80364561  0.78536061  0.81561088
   0.60228624  0.81924029  0.48232098
   0.95771632  1.00035304  0.83763651
   1.01175705  0.85227833  0.69329099
   0.75517847  0.99362666  0.69850523
   0.74676025  0.68090668  0.97866811
   0.52135796  0.67176282  0.87833798
   0.76696909  0.79704752  0.60219841
   0.37521945  0.74228088  0.47643987
   0.89251363  0.21802254  0.06418284
   0.74809093  0.52432157  0.24017096
   0.46127204  0.06691330  0.61859971
   0.30929176  0.93426274  0.94481710
   0.08954591  1.11689877  0.05252957
   0.30991764  1.13600490  0.04535419
   0.65664161  0.32948223  0.84087142
   0.60030414  0.65602838  0.62129355
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.637856    0.307387   -0.140606
    -0.000000    9.953724    0.083469
    -0.000000    0.000000   14.156660
   Si   O    H 
    32    64    10
Direct configuration=  3094
   0.20985027  0.20314748 -0.01777655
   0.35517717  0.08595183  0.37359927
   0.15667900  0.44106492  0.11720634
   0.40994425  0.33601363  0.24454459
   0.06785072  0.11603702  0.47196988
   0.41252489  0.12697823  0.83346008
   0.14072314  0.36777622  0.59618145
   0.37542344  0.38767767  0.73762354
   0.13850855  0.70077018 -0.00306797
   0.44444031  0.57720434  0.36902455
   0.08366303  0.91221145  0.14733635
   0.33507423  0.83585011  0.26794660
   0.16528304  0.57197980  0.50003372
   0.36330415  0.64016766  0.84239319
   0.11405765  0.86221556  0.60103360
   0.41038555  0.95810423  0.67254820
   0.63096835  0.13368894  0.99254610
   0.82147579  0.13560152  0.33196319
   0.61098047  0.40969642  0.09133496
   0.88531922  0.31008130  0.14214519
   0.61588062  0.16874713  0.47654445
   0.92734683  0.13085286  0.89371921
   0.63695731  0.41845491  0.62077834
   0.78305550  0.37248291  0.80734409
   0.57886439  0.68245729 -0.01576660
   0.91880221  0.59847311  0.36468302
   0.56190588  0.90613550  0.12477010
   0.82464985  0.84748261  0.23995855
   0.67327232  0.67546066  0.47546187
   0.85804970  0.66400286  0.89372711
   0.68033964  0.92112573  0.60041191
   0.88268696  0.90498537  0.75584304
   0.10860584  0.07290256  0.14348386
   0.42044013  0.17452744  0.28174135
   0.18441074  0.35601655  0.02003454
   0.42631875  0.42173121  0.34203379
   0.55051677  0.34370599  0.18654150
   0.27136406  0.39546975  0.19222774
   0.20269657  0.13289928  0.40143449
  -0.06229576  0.16033402  0.40943106
   0.04265947 -0.02872423  0.51980921
   0.47399488  0.24890387  0.76270566
   0.07317041  0.22377962  0.55617390
   0.35455522  0.47563845  0.82863833
   0.48471977  0.44031897  0.65931504
   0.22854595  0.36498650  0.69142531
   0.28088825  0.21271656 -0.12302990
   0.05820178  0.12956840  0.97057337
   0.14317953  0.59522094  0.08210889
   0.39899767  0.68721061  0.28484569
   0.13191089  0.84744798  0.04809212
   0.34810418  0.92919204  0.35898614
   0.41605116  0.92181797  0.18665484
   0.17474000  0.82454615  0.22935842
   0.35780116  0.65735320  0.46058580
   0.09013989  0.58310430  0.39615675
   0.25275862  0.42022580  0.51443176
   0.29614263  0.72053874  0.75305766
   0.15148711  0.72307249  0.54296112
   0.38202779  0.98389014  0.78511375
   0.53293229  0.84377674  0.65102005
   0.25285318  0.93763799  0.62001239
   0.28594395  0.68769489 -0.05594936
   0.02187586  0.67903794  0.91884961
   0.62524966  0.04660467  0.09386517
   0.84075911  0.21884641  0.23205165
   0.59255493  0.29002507  0.00895200
   0.84455691  0.45860346  0.32745574
   0.01808485  0.39914055  0.17293407
   0.77355278  0.43676562  0.11289407
   0.67360524  0.19163771  0.37172282
   0.46210375  0.11341223  0.45968465
   0.70586681  0.04761562  0.53171331
   0.91426989  0.26950437  0.82932072
   0.62243753  0.31959563  0.52907886
   0.82182874  0.52482741  0.84045516
   1.03803667  0.49743738  0.57919388
   0.75796156  0.39149702  0.69361518
   0.78736162  0.09449857  0.95699747
   0.51739426  0.07508321  0.91253213
   0.53009223  0.55591364  0.05570330
   0.90119089  0.71626439  0.28458181
   0.52431140  0.82232389  0.03093009
   0.82089662  0.97320063  0.31851782
   0.91717547  0.88922934  0.15554394
   0.67090202  0.82815406  0.19835952
   0.84581414  0.66024629  0.45539437
   0.60829626  0.57995526  0.39803664
   0.64780018  0.58444460  0.58543003
   0.80316327  0.78503778  0.81556916
   0.60115945  0.81902395  0.48286657
   0.95954637  1.00039206  0.83631607
   1.01048669  0.85137623  0.69245270
   0.75503487  0.99394550  0.69816865
   0.74748691  0.68057953  0.97891204
   0.51940101  0.67287946  0.87991033
   0.77074666  0.79973744  0.60202106
   0.38380270  0.77592297  0.47608755
   0.88997672  0.21739290  0.06828798
   0.75453286  0.51566695  0.24251462
   0.45451056  0.06409740  0.61681422
   0.30359689  0.93630430  0.94393894
   0.01800531  1.09954343  0.01168676
   0.30503578  1.13885328  0.04605743
   0.65162645  0.32896207  0.84260374
   0.60508988  0.64910168  0.62383547
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.640528    0.308611   -0.139453
    -0.000000    9.957116    0.084310
    -0.000000    0.000000   14.159238
   Si   O    H 
    32    64    10
Direct configuration=  3095
   0.21032100  0.20347404 -0.01709934
   0.35575532  0.08489020  0.37371943
   0.15697086  0.44202675  0.11770986
   0.41057728  0.33615482  0.24478880
   0.06818758  0.11660724  0.47174506
   0.41185792  0.12860697  0.83296134
   0.14239121  0.36836294  0.59578923
   0.37614099  0.38814650  0.73640296
   0.13950381  0.70112798 -0.00369689
   0.44569840  0.57709372  0.36862132
   0.08512298  0.91212278  0.14748984
   0.33533282  0.83451265  0.26834345
   0.16336115  0.57146522  0.49942724
   0.36157115  0.64063811  0.84211036
   0.11516224  0.86215872  0.60127599
   0.41154698  0.95639809  0.67225195
   0.63006200  0.13394437  0.99270207
   0.82036450  0.13590409  0.33155387
   0.61145222  0.41041710  0.09124363
   0.88671808  0.30809415  0.14315580
   0.61550942  0.16861675  0.47534254
   0.92646129  0.13158004  0.89320743
   0.63786883  0.41868998  0.61982970
   0.78376338  0.37454805  0.80802991
   0.57865658  0.68061229 -0.01513324
   0.91851700  0.59755964  0.36526192
   0.56229604  0.90749967  0.12387713
   0.82577383  0.84743363  0.24004158
   0.67236138  0.67476524  0.47488588
   0.85747507  0.66345599  0.89233957
   0.68014292  0.92122451  0.60074124
   0.88329532  0.90580319  0.75589902
   0.10894626  0.07285031  0.14381458
   0.42334978  0.17621919  0.28458067
   0.18435391  0.35424298  0.02043803
   0.42675993  0.42230075  0.34276256
   0.54970467  0.34481620  0.18558546
   0.27240288  0.39549505  0.19359852
   0.20362163  0.13053681  0.40169914
  -0.06219046  0.16015980  0.40954450
   0.04324683 -0.02697229  0.52029902
   0.47239473  0.24943268  0.76356730
   0.07472715  0.22211048  0.55611254
   0.35215073  0.47307248  0.83046967
   0.48607333  0.44034283  0.65904608
   0.22998359  0.36426749  0.69153393
   0.28005278  0.21121144 -0.12335271
   0.06089608  0.13029351  0.96702029
   0.14324233  0.59350788  0.08275790
   0.40031889  0.68676945  0.28497391
   0.13142940  0.84646289  0.04743999
   0.34759889  0.92682242  0.35717200
   0.41707117  0.91944719  0.18762026
   0.17488956  0.82360951  0.22936976
   0.35626834  0.65471546  0.45888913
   0.09113346  0.58223041  0.39673065
   0.25317771  0.42198926  0.51436300
   0.29744935  0.72122459  0.75373071
   0.15107390  0.72540256  0.54253175
   0.38265927  0.98535485  0.78566168
   0.53386228  0.84593903  0.65009729
   0.25510644  0.93597517  0.62044216
   0.28678127  0.68784947 -0.05582519
   0.02187619  0.67919181  0.91886470
   0.62484763  0.04658165  0.09270170
   0.84071029  0.21890887  0.23130157
   0.59393540  0.28871294  0.00901114
   0.84182080  0.45821712  0.32592764
   0.01714824  0.40009004  0.17427014
   0.77404822  0.43822508  0.11232203
   0.67395568  0.19140572  0.37110912
   0.46158134  0.11370386  0.45985050
   0.70466005  0.04797064  0.53165083
   0.91537893  0.26792100  0.82870507
   0.62217359  0.31924128  0.52758083
   0.82137746  0.52415931  0.84001103
   1.04014642  0.49732940  0.57786294
   0.75872492  0.39047095  0.69381158
   0.78804339  0.09301115  0.95586043
   0.51789163  0.07453307  0.91409270
   0.52972384  0.55552834  0.05395858
   0.90107575  0.71576239  0.28349484
   0.52331898  0.82191487  0.03132790
   0.82172878  0.97282407  0.31824940
   0.91719900  0.89012898  0.15472081
   0.66949165  0.82596338  0.19831638
   0.84518488  0.65906767  0.45515154
   0.60736097  0.58047167  0.39782788
   0.64777248  0.58439536  0.58414078
   0.80269612  0.78507813  0.81547189
   0.59987464  0.81848967  0.48328877
   0.96150236  0.99969329  0.83511052
   1.00872892  0.85092788  0.69144497
   0.75477659  0.99436018  0.69786181
   0.74903239  0.68088851  0.97937819
   0.51753722  0.67447052  0.88104394
   0.77764504  0.80178632  0.60217031
   0.38650232  0.78975747  0.47411961
   0.88727568  0.21491242  0.07035180
   0.77262449  0.50684491  0.25214232
   0.45127999  0.07088865  0.61477840
   0.29489945  0.93977144  0.94463250
  -0.08594626  1.05236952  0.02575328
   0.30118925  1.13606916  0.04926477
   0.65154388  0.32701603  0.84538897
   0.60060019  0.65126344  0.63353358
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.643238    0.310025   -0.138327
    -0.000000    9.960744    0.085493
    -0.000000    0.000000   14.161988
   Si   O    H 
    32    64    10
Direct configuration=  3096
   0.21010787  0.20418886 -0.01661330
   0.35676315  0.08480916  0.37371744
   0.15700420  0.44319810  0.11837734
   0.41109624  0.33597233  0.24529734
   0.06947758  0.11660609  0.47187959
   0.41093616  0.13017077  0.83257862
   0.14353428  0.36895306  0.59512334
   0.37669348  0.38881845  0.73538128
   0.14081598  0.70167042 -0.00382498
   0.44648150  0.57718210  0.36863257
   0.08645572  0.91239633  0.14783306
   0.33575209  0.83341990  0.26806090
   0.16168940  0.57089613  0.49892233
   0.35924629  0.64118131  0.84204347
   0.11578901  0.86156132  0.60133068
   0.41259970  0.95525282  0.67216798
   0.63018706  0.13335532  0.99283626
   0.81921588  0.13634900  0.33138157
   0.61186313  0.41130622  0.09093484
   0.88778933  0.30637680  0.14466699
   0.61535250  0.16847776  0.47398719
   0.92599436  0.13257051  0.89262940
   0.63832016  0.41862226  0.61873004
   0.78465397  0.37667922  0.80840186
   0.57832030  0.67913312 -0.01430410
   0.91837103  0.59662914  0.36602236
   0.56267501  0.90848214  0.12350102
   0.82578327  0.84812811  0.24058872
   0.67215388  0.67383778  0.47449298
   0.85596570  0.66303012  0.89117331
   0.68054845  0.92091925  0.60080779
   0.88315436  0.90633828  0.75574223
   0.10961090  0.07297240  0.14428979
   0.42533411  0.17792215  0.28688953
   0.18373952  0.35295383  0.02066436
   0.42707569  0.42313178  0.34376105
   0.54937616  0.34618561  0.18512945
   0.27335075  0.39568405  0.19451146
   0.20341175  0.12891133  0.40168471
  -0.06229279  0.15926621  0.41009954
   0.04356439 -0.02560905  0.52073768
   0.46975464  0.24981879  0.76459687
   0.07697842  0.21945199  0.55621898
   0.34957024  0.47082588  0.83260263
   0.48729260  0.44042189  0.65899412
   0.23057609  0.36312828  0.69187568
   0.27858300  0.20923299 -0.12379236
   0.06322623  0.13068965  0.96367093
   0.14333236  0.59229145  0.08315217
   0.40130385  0.68634610  0.28490999
   0.13044561  0.84563857  0.04651917
   0.34726043  0.92483906  0.35570906
   0.41808951  0.91767514  0.18861687
   0.17562630  0.82243610  0.22948968
   0.35491418  0.65292938  0.45760190
   0.09215657  0.58130581  0.39631160
   0.25433035  0.42358100  0.51444620
   0.29853410  0.72111221  0.75397040
   0.15032529  0.72772725  0.54188271
   0.38316009  0.98674681  0.78571775
   0.53429713  0.84674471  0.64917398
   0.25816041  0.93372685  0.62123310
   0.28755744  0.68743779 -0.05619292
   0.02107263  0.67942000  0.91855405
   0.62437683  0.04642081  0.09160618
   0.84037410  0.21886123  0.23059656
   0.59512966  0.28812824  0.00914306
   0.84000102  0.45762460  0.32397018
   0.01665242  0.40024255  0.17497012
   0.77432884  0.43896561  0.11159937
   0.67458983  0.19124507  0.37114667
   0.46082659  0.11374836  0.46016513
   0.70326315  0.04817997  0.53230533
   0.91581960  0.26776450  0.82788836
   0.62162707  0.31877682  0.52627525
   0.82127189  0.52233692  0.83949945
   1.04232972  0.49738754  0.57647873
   0.75975529  0.38895290  0.69421485
   0.78847340  0.09119187  0.95451277
   0.52024704  0.07386739  0.91583501
   0.52951812  0.55530445  0.05302098
   0.90085891  0.71596635  0.28250443
   0.52246990  0.82128331  0.03225152
   0.82251042  0.97205875  0.31786044
   0.91736120  0.89092991  0.15425348
   0.66902566  0.82429463  0.19831460
   0.84437454  0.65883729  0.45520986
   0.60629591  0.58114562  0.39776438
   0.64834800  0.58532372  0.58280552
   0.80218893  0.78495451  0.81536850
   0.59881505  0.81815345  0.48391182
   0.96271173  0.99979689  0.83435341
   1.00671828  0.84993525  0.69040227
   0.75418872  0.99446138  0.69798364
   0.75050732  0.68151214  0.97979779
   0.51602955  0.67654565  0.88195488
   0.78461770  0.80385595  0.60017161
   0.39178605  0.78360507  0.46908436
   0.88881982  0.20967406  0.06939052
   0.79415992  0.48904478  0.26849585
   0.44731713  0.08124346  0.61368242
   0.28943916  0.94050315  0.94553459
  -0.18391046  1.00636511  0.03901426
   0.29779735  1.13227773  0.05213489
   0.65323086  0.32734250  0.84553569
   0.59746341  0.65142974  0.63686655
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.646120    0.311346   -0.136903
    -0.000000    9.964111    0.086539
    -0.000000    0.000000   14.164522
   Si   O    H 
    32    64    10
Direct configuration=  3097
   0.20985164  0.20473686 -0.01597837
   0.35811040  0.08435168  0.37370210
   0.15630876  0.44327661  0.11882935
   0.41136618  0.33551835  0.24568484
   0.07103636  0.11616952  0.47178363
   0.40991492  0.13169529  0.83242635
   0.14496141  0.36924568  0.59400623
   0.37719259  0.38906790  0.73490905
   0.14217800  0.70194193 -0.00364309
   0.44703517  0.57691890  0.36862254
   0.08804216  0.91296760  0.14807996
   0.33662681  0.83224192  0.26777445
   0.16012556  0.57015451  0.49885033
   0.35721692  0.64218024  0.84207441
   0.11606108  0.86102575  0.60107446
   0.41275488  0.95444369  0.67191887
   0.62988094  0.13247393  0.99294301
   0.81805367  0.13682920  0.33115462
   0.61207286  0.41200188  0.09067355
   0.88853367  0.30521621  0.14595628
   0.61523481  0.16822514  0.47271966
   0.92598383  0.13336960  0.89196993
   0.63832134  0.41870196  0.61788534
   0.78498279  0.37932592  0.80877565
   0.57850450  0.67737830 -0.01373571
   0.91842968  0.59632389  0.36670593
   0.56268070  0.90946406  0.12331639
   0.82525424  0.84906014  0.24126715
   0.67271560  0.67333177  0.47453870
   0.85426089  0.66245626  0.88976906
   0.68053686  0.92048085  0.60111533
   0.88222047  0.90693121  0.75505805
   0.11002762  0.07242519  0.14484485
   0.42774067  0.17948061  0.28890114
   0.18303513  0.35256771  0.02136222
   0.42728314  0.42432693  0.34515898
   0.54846044  0.34710034  0.18438287
   0.27421249  0.39580265  0.19482529
   0.20255186  0.12725074  0.40192231
  -0.06210500  0.15916431  0.41031530
   0.04413020 -0.02419183  0.52213005
   0.46691754  0.25022475  0.76537752
   0.07933311  0.21778481  0.55692551
   0.34728426  0.46858790  0.83396925
   0.48822374  0.44041086  0.65957326
   0.23140968  0.36209800  0.69177800
   0.27688938  0.20710932 -0.12390403
   0.06534596  0.13040086  0.96083510
   0.14328046  0.59090317  0.08332933
   0.40208023  0.68471380  0.28524453
   0.12989774  0.84488095  0.04561714
   0.34716795  0.92348217  0.35480123
   0.41930231  0.91595110  0.18874696
   0.17710930  0.82239151  0.22951560
   0.35496228  0.65207811  0.45647436
   0.09260612  0.58050786  0.39582854
   0.25603129  0.42567889  0.51493536
   0.29962701  0.72165028  0.75373411
   0.14876717  0.72946238  0.54113883
   0.38406436  0.98886801  0.78625966
   0.53481664  0.84701010  0.64826427
   0.26161234  0.93096845  0.62211078
   0.28752889  0.68716479 -0.05621765
   0.01944897  0.67911204  0.91854338
   0.62397010  0.04646050  0.09034370
   0.83942204  0.21930489  0.23067040
   0.59592275  0.28755526  0.00949658
   0.83855334  0.45716654  0.32257099
   0.01660114  0.40055373  0.17556379
   0.77401323  0.44004521  0.11125076
   0.67436394  0.19093252  0.37069089
   0.46042781  0.11356931  0.46040609
   0.70185424  0.04914063  0.53299682
   0.91665882  0.26751020  0.82731049
   0.62058417  0.31824505  0.52558305
   0.82069260  0.52091749  0.83895904
   1.04284040  0.49735467  0.57518798
   0.76122598  0.38696337  0.69401768
   0.78889136  0.08980548  0.95353167
   0.52158887  0.07376931  0.91755400
   0.52962947  0.55508526  0.05238360
   0.90109309  0.71569194  0.28141698
   0.52210755  0.82074083  0.03281661
   0.82254505  0.97152512  0.31701393
   0.91774246  0.89158576  0.15389113
   0.66920408  0.82254928  0.19816724
   0.84191100  0.65904806  0.45518373
   0.60618894  0.58208192  0.39712170
   0.64874628  0.58632655  0.58157341
   0.80257635  0.78500164  0.81499600
   0.59782789  0.81769770  0.48431316
   0.96340516  0.99969851  0.83302875
   1.00506095  0.84938465  0.68916800
   0.75327435  0.99402040  0.69812779
   0.75165917  0.68299320  0.97977469
   0.51469982  0.67814118  0.88316936
   0.78869356  0.80773721  0.59647247
   0.39638601  0.76461868  0.46322274
   0.89133960  0.20612990  0.06637901
   0.81399651  0.47390672  0.27967586
   0.44252532  0.08901347  0.61257707
   0.28467322  0.94032601  0.94587342
  -0.27242179  0.96450225  0.04950066
   0.29723730  1.12802144  0.05222261
   0.65544444  0.33146974  0.84562441
   0.59901180  0.64683576  0.63471877
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.648927    0.312059   -0.135050
    -0.000000    9.967127    0.087263
    -0.000000    0.000000   14.167354
   Si   O    H 
    32    64    10
Direct configuration=  3098
   0.20912637  0.20566949 -0.01529322
   0.35918080  0.08403283  0.37365314
   0.15560974  0.44295228  0.11917709
   0.41205077  0.33483116  0.24626866
   0.07224997  0.11630481  0.47162066
   0.40947776  0.13268415  0.83277451
   0.14614984  0.36913211  0.59239083
   0.37793345  0.38950561  0.73470220
   0.14352961  0.70244788 -0.00418063
   0.44718172  0.57699348  0.36867835
   0.08922731  0.91394584  0.14822093
   0.33717735  0.83120675  0.26751466
   0.15877704  0.57046251  0.49863300
   0.35556874  0.64297765  0.84218265
   0.11633746  0.86086427  0.60075629
   0.41296324  0.95394395  0.67202946
   0.62972003  0.13144363  0.99257139
   0.81695773  0.13688990  0.33082391
   0.61232328  0.41249357  0.09050580
   0.88934010  0.30419404  0.14686378
   0.61504000  0.16741961  0.47172916
   0.92648882  0.13359246  0.89138551
   0.63850084  0.41881615  0.61680487
   0.78513429  0.38190373  0.80886548
   0.57819437  0.67634024 -0.01272167
   0.91868940  0.59663297  0.36722610
   0.56223458  0.90995220  0.12385345
   0.82491424  0.84975262  0.24138555
   0.67359819  0.67339562  0.47438836
   0.85238287  0.66177895  0.88828821
   0.68034641  0.91967288  0.60187648
   0.88025546  0.90792803  0.75484870
   0.11046583  0.07260963  0.14565460
   0.42954629  0.18078402  0.29058241
   0.18227557  0.35185357  0.02225194
   0.42749717  0.42528555  0.34651104
   0.54771292  0.34789085  0.18316316
   0.27477777  0.39489803  0.19504923
   0.20217933  0.12622540  0.40187169
  -0.06287577  0.15909986  0.41027448
   0.04536620 -0.02366972  0.52367783
   0.46347427  0.25030554  0.76586814
   0.08130918  0.21682323  0.55790847
   0.34554304  0.46669866  0.83484793
   0.48925233  0.44121981  0.65992419
   0.23174232  0.36092845  0.69183110
   0.27432759  0.20574960 -0.12378748
   0.06704565  0.13036576  0.95843415
   0.14380868  0.59006221  0.08389264
   0.40295046  0.68277995  0.28528133
   0.12874529  0.84517592  0.04461652
   0.34692709  0.92307820  0.35455077
   0.42057856  0.91461003  0.18861997
   0.18000193  0.82214560  0.22904972
   0.35532083  0.65191507  0.45550789
   0.09188807  0.58020548  0.39526619
   0.25825486  0.42800461  0.51524833
   0.30093222  0.72202328  0.75362306
   0.14744168  0.73053917  0.54055813
   0.38570572  0.99040836  0.78587049
   0.53599155  0.84676592  0.64759121
   0.26430886  0.92852840  0.62278522
   0.28734134  0.68560310 -0.05625845
   0.01793294  0.67807335  0.91878560
   0.62401246  0.04742933  0.08922261
   0.83733771  0.21934894  0.23115975
   0.59717594  0.28782360  0.01017844
   0.84083817  0.45528687  0.32557434
   0.01690135  0.40063007  0.17592427
   0.77294362  0.44079457  0.11108592
   0.67323003  0.19071509  0.37012407
   0.46005729  0.11345343  0.46072793
   0.70103904  0.05051663  0.53336001
   0.91705007  0.26790299  0.82706851
   0.61902780  0.31803259  0.52525154
   0.82090318  0.52043300  0.83862549
   1.04363574  0.49844922  0.57356500
   0.76141001  0.38469141  0.69390303
   0.78908406  0.08915080  0.95257666
   0.52269111  0.07400183  0.91940113
   0.53068621  0.55358228  0.05155791
   0.90077881  0.71496175  0.28043120
   0.52135734  0.81974733  0.03343950
   0.82200634  0.97217439  0.31637591
   0.91671147  0.89234775  0.15352897
   0.66960422  0.82130746  0.19819873
   0.83941597  0.65934967  0.45479253
   0.60511721  0.58218331  0.39613002
   0.64948651  0.58833472  0.58102515
   0.80283634  0.78481455  0.81509558
   0.59609831  0.81790390  0.48457219
   0.96351422  0.99988861  0.83170444
   1.00361031  0.84896414  0.68781055
   0.75266636  0.99379100  0.69911805
   0.75246558  0.68354786  0.97958675
   0.51332492  0.67966226  0.88358516
   0.79060248  0.80785412  0.59279180
   0.39544750  0.73411527  0.45900764
   0.89821273  0.20495756  0.06311722
   0.78738282  0.48418908  0.21877668
   0.43550937  0.09002978  0.61476947
   0.28392967  0.93883364  0.94630630
  -0.34722592  0.92481289  0.05925353
   0.29332390  1.12385141  0.04931353
   0.65722408  0.33626442  0.84665596
   0.60686371  0.64001447  0.62534572
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.652324    0.312546   -0.132923
    -0.000000    9.970404    0.087782
    -0.000000    0.000000   14.170313
   Si   O    H 
    32    64    10
Direct configuration=  3099
   0.20741884  0.20688853 -0.01491585
   0.36036746  0.08387021  0.37331401
   0.15512149  0.44213300  0.11940461
   0.41302655  0.33432677  0.24705023
   0.07331639  0.11672233  0.47159620
   0.40945348  0.13320375  0.83310001
   0.14761340  0.36854186  0.59068222
   0.37854383  0.38950847  0.73460080
   0.14442554  0.70296109 -0.00490481
   0.44627605  0.57736753  0.36850981
   0.09029444  0.91519929  0.14791768
   0.33832920  0.83024447  0.26699149
   0.15704391  0.57123378  0.49868842
   0.35418579  0.64357445  0.84280226
   0.11705423  0.86053702  0.60064133
   0.41244156  0.95357311  0.67212330
   0.62975748  0.13090228  0.99222262
   0.81635974  0.13696960  0.33053449
   0.61287568  0.41345504  0.09000081
   0.89045184  0.30324859  0.14787393
   0.61503568  0.16674064  0.47118652
   0.92743096  0.13358928  0.89116379
   0.63872873  0.41846548  0.61636766
   0.78606742  0.38419909  0.80925530
   0.57805507  0.67535192 -0.01196400
   0.91908186  0.59634089  0.36742145
   0.56110755  0.90980810  0.12485558
   0.82441691  0.85062486  0.24114160
   0.67445112  0.67372929  0.47461148
   0.85056918  0.66154975  0.88664217
   0.68020962  0.91889010  0.60290761
   0.87845264  0.90841980  0.75482902
   0.11079080  0.07396327  0.14609677
   0.43074274  0.18190967  0.29200111
   0.18147009  0.35209216  0.02342151
   0.42815895  0.42491113  0.34721331
   0.54759662  0.34894712  0.18201912
   0.27620288  0.39397921  0.19502083
   0.20269887  0.12550211  0.40211676
  -0.06364622  0.15952835  0.40996895
   0.04570453 -0.02347100  0.52440778
   0.46074895  0.24966584  0.76598860
   0.08321603  0.21724662  0.55950424
   0.34368506  0.46616491  0.83562100
   0.48966232  0.44298671  0.66038969
   0.23070868  0.35934356  0.69195350
   0.27203445  0.20392112 -0.12357153
   0.06886507  0.13066928  0.95551069
   0.14407208  0.59038307  0.08421897
   0.40310327  0.68083185  0.28520145
   0.12784434  0.84664502  0.04369354
   0.34720886  0.92314592  0.35541046
   0.42260134  0.91435052  0.18850310
   0.18238657  0.82142674  0.22808580
   0.35460229  0.65151435  0.45408511
   0.09085137  0.57990199  0.39473356
   0.26060161  0.43017727  0.51533238
   0.30075165  0.72306728  0.75303222
   0.14560168  0.73090227  0.53989294
   0.38776778  0.99174908  0.78532959
   0.53702710  0.84737256  0.64735960
   0.26705190  0.92642523  0.62367228
   0.28716064  0.68399800 -0.05629819
   0.01596881  0.67730519  0.91958782
   0.62348210  0.04841543  0.08804859
   0.83547165  0.21864846  0.23230721
   0.59826939  0.28813397  0.01053351
   0.84228438  0.45327745  0.32811282
   0.01738428  0.40079608  0.17607627
   0.77194157  0.44082829  0.11106974
   0.67184371  0.19117902  0.36920696
   0.45892193  0.11445366  0.46088929
   0.69940644  0.05261990  0.53352274
   0.91727330  0.26792237  0.82679582
   0.61819148  0.31836908  0.52497782
   0.82162589  0.52060472  0.83863171
   1.04421763  0.49911188  0.57192200
   0.76130824  0.38259025  0.69405895
   0.78848607  0.08871892  0.95186256
   0.52327249  0.07430081  0.92014548
   0.53253552  0.55195035  0.05074745
   0.90079400  0.71405759  0.27959021
   0.52154077  0.81871265  0.03403099
   0.82169915  0.97272863  0.31647869
   0.91611376  0.89343503  0.15302058
   0.67037950  0.82040535  0.19825473
   0.83709935  0.65910063  0.45445756
   0.60436926  0.58231385  0.39528622
   0.65110184  0.58909564  0.57957513
   0.80422364  0.78512318  0.81498412
   0.59521709  0.81800119  0.48476506
   0.96445608  0.99959485  0.83023818
   1.00226044  0.84851510  0.68586736
   0.75203083  0.99346978  0.70010018
   0.75374104  0.68356034  0.97961956
   0.51231557  0.68052889  0.88311467
   0.78811105  0.80765194  0.58979485
   0.39896429  0.72019450  0.45946682
   0.90528861  0.20586593  0.06285145
   0.76687836  0.49616990  0.17303960
   0.42852089  0.08756229  0.61885797
   0.28425043  0.94030177  0.94607720
  -0.39544241  0.88806753  0.05875101
   0.28987693  1.11785725  0.04597195
   0.65433528  0.34330383  0.84933231
   0.60629446  0.64652422  0.62424184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.655295    0.313921   -0.131775
    -0.000000    9.973291    0.087575
    -0.000000    0.000000   14.173738
   Si   O    H 
    32    64    10
Direct configuration=  3100
   0.20566133  0.20758051 -0.01484489
   0.36162656  0.08388297  0.37294177
   0.15426378  0.44100538  0.11970672
   0.41447000  0.33352470  0.24805890
   0.07426836  0.11710891  0.47172769
   0.40906366  0.13333724  0.83354870
   0.14884914  0.36790852  0.58899949
   0.37981154  0.38945976  0.73436753
   0.14567158  0.70312976 -0.00570853
   0.44463625  0.57765913  0.36840523
   0.09150586  0.91687138  0.14777447
   0.33912310  0.82950183  0.26654227
   0.15571597  0.57213787  0.49946435
   0.35280732  0.64375687  0.84326398
   0.11674340  0.86075748  0.60095484
   0.41253125  0.95376493  0.67160466
   0.63011761  0.13071137  0.99126864
   0.81551991  0.13651693  0.32978103
   0.61262280  0.41445371  0.08935341
   0.89190193  0.30275695  0.14878742
   0.61563946  0.16622046  0.47118233
   0.92837655  0.13314059  0.89117478
   0.63960749  0.41737535  0.61610258
   0.78705980  0.38530217  0.80931259
   0.57821820  0.67435434 -0.01196182
   0.91898592  0.59614335  0.36699751
   0.55833494  0.90994459  0.12806274
   0.82384518  0.85126516  0.24132668
   0.67544432  0.67498026  0.47483122
   0.84877002  0.66137854  0.88507706
   0.68014763  0.91784736  0.60371335
   0.87658835  0.90842623  0.75463555
   0.11116976  0.07444967  0.14639199
   0.43111605  0.18291798  0.29278357
   0.18065030  0.35234848  0.02420836
   0.42826548  0.42345377  0.34762357
   0.54834012  0.34930659  0.18053337
   0.27777276  0.39464469  0.19509193
   0.20359461  0.12557274  0.40263148
  -0.06420553  0.15975446  0.40962414
   0.04670813 -0.02341475  0.52467979
   0.45873737  0.24872082  0.76636700
   0.08507845  0.21858939  0.56082991
   0.34267847  0.46710894  0.83597565
   0.49012182  0.44461131  0.66103150
   0.22965256  0.35748438  0.69267897
   0.27056644  0.20216086 -0.12239281
   0.06996675  0.13090938  0.95246878
   0.14417155  0.59096744  0.08451650
   0.40260166  0.67927296  0.28484276
   0.12597498  0.84762876  0.04289710
   0.34816748  0.92333568  0.35673447
   0.42429605  0.91518049  0.18776877
   0.18398266  0.82094304  0.22700569
   0.35165401  0.64814954  0.45251786
   0.08963990  0.57958106  0.39453894
   0.26201480  0.43182537  0.51591982
   0.30062076  0.72314568  0.75257282
   0.14460600  0.73132121  0.54027879
   0.39030306  0.99355807  0.78489804
   0.53731001  0.84800669  0.64739956
   0.26993812  0.92406026  0.62479057
   0.28699138  0.68227069 -0.05599944
   0.01437553  0.67621226  0.91986173
   0.62320709  0.04889327  0.08683321
   0.83336601  0.21842857  0.23292118
   0.59969153  0.28833317  0.01079517
   0.84422025  0.45341949  0.33002943
   0.01764803  0.40127861  0.17602786
   0.77106252  0.44087655  0.11117742
   0.67071274  0.19149494  0.36852431
   0.45721225  0.11547918  0.46133880
   0.69817069  0.05407712  0.53319837
   0.91712934  0.26785405  0.82659680
   0.61821041  0.31796037  0.52524300
   0.82292014  0.52189375  0.83900106
   1.04476676  0.49942196  0.56998149
   0.76088709  0.38143280  0.69426643
   0.78729960  0.08907826  0.95155218
   0.52338268  0.07324530  0.92000735
   0.53373567  0.55134584  0.04967184
   0.89987701  0.71314894  0.27944353
   0.52276038  0.81784862  0.03406718
   0.82123607  0.97345679  0.31676553
   0.91543775  0.89488054  0.15262010
   0.67040829  0.81950491  0.19778749
   0.83577755  0.65908647  0.45375859
   0.60548123  0.58129138  0.39436097
   0.65232525  0.58939891  0.57767138
   0.80502277  0.78510261  0.81503555
   0.59449135  0.81741892  0.48429244
   0.96506932  0.99878631  0.82846064
   1.00105206  0.84814034  0.68392054
   0.75117269  0.99232377  0.70112260
   0.75399271  0.68336575  0.97994545
   0.51134245  0.68160607  0.88323993
   0.78621819  0.80667143  0.58723205
   0.42712650  0.75402445  0.46428168
   0.91051451  0.21195185  0.06694619
   0.75162534  0.50773945  0.13248348
   0.42530147  0.08544137  0.62433730
   0.28099853  0.94292034  0.94526965
  -0.40214346  0.83437927  0.00043043
   0.28975707  1.11016070  0.04362065
   0.65097597  0.34893021  0.85500753
   0.59946873  0.65334482  0.62787071
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.658562    0.315864   -0.130565
    -0.000000    9.976353    0.087989
    -0.000000    0.000000   14.177218
   Si   O    H 
    32    64    10
Direct configuration=  3101
   0.20472208  0.20739100 -0.01496041
   0.36290534  0.08414627  0.37242108
   0.15331715  0.44051143  0.11982041
   0.41592289  0.33280487  0.24974505
   0.07481754  0.11707503  0.47196572
   0.40867756  0.13308614  0.83436634
   0.14921332  0.36739736  0.58730366
   0.38053590  0.38928919  0.73445752
   0.14603215  0.70250723 -0.00667294
   0.44326737  0.57738641  0.36860542
   0.09241541  0.91818989  0.14752182
   0.34021062  0.82872362  0.26642119
   0.15503923  0.57327738  0.49999339
   0.35127475  0.64388342  0.84378146
   0.11681432  0.86132266  0.60113843
   0.41250505  0.95408022  0.67088136
   0.63144967  0.13057929  0.98988768
   0.81535822  0.13676488  0.32930183
   0.61146976  0.41482867  0.08849451
   0.89402092  0.30210530  0.14946035
   0.61606724  0.16613161  0.47182643
   0.92917707  0.13253807  0.89120844
   0.64025846  0.41694220  0.61613108
   0.78748253  0.38562179  0.80910845
   0.57824712  0.67270576 -0.01259739
   0.91873324  0.59592206  0.36621014
   0.55647770  0.91013660  0.13150570
   0.82337333  0.85193652  0.24109637
   0.67700985  0.67619425  0.47516323
   0.84754232  0.66196201  0.88360849
   0.68066480  0.91676661  0.60474958
   0.87522909  0.90819460  0.75460448
   0.11131533  0.07593844  0.14678631
   0.43157300  0.18343810  0.29308308
   0.17957622  0.35371267  0.02506264
   0.42800527  0.42185033  0.34767644
   0.54823301  0.34942012  0.17947874
   0.27822883  0.39571912  0.19459268
   0.20451587  0.12587125  0.40351826
  -0.06430162  0.15972938  0.40917803
   0.04830726 -0.02372884  0.52484522
   0.45726685  0.24730600  0.76657209
   0.08644713  0.22084572  0.56173892
   0.34273333  0.46850817  0.83625467
   0.49032724  0.44556922  0.66139649
   0.22881852  0.35553110  0.69357482
   0.26933559  0.20068275 -0.12132220
   0.07012739  0.13134150  0.94973970
   0.14402786  0.59168326  0.08453276
   0.40185163  0.67825989  0.28451854
   0.12458909  0.84811418  0.04173960
   0.34889392  0.92398585  0.35814795
   0.42678082  0.91584562  0.18731995
   0.18534935  0.82154898  0.22603050
   0.34961375  0.64582865  0.45080867
   0.08853045  0.57970205  0.39406284
   0.26344672  0.43298603  0.51618877
   0.29959331  0.72411665  0.75137237
   0.14401758  0.73039618  0.54060718
   0.39356246  0.99558854  0.78500475
   0.53830792  0.84876000  0.64802890
   0.27191236  0.92177543  0.62568468
   0.28726676  0.68104057 -0.05601917
   0.01210957  0.67526875  0.91981587
   0.62156663  0.04857843  0.08655245
   0.83153404  0.21759162  0.23385896
   0.60089892  0.28916298  0.01146622
   0.84561217  0.45401480  0.33197576
   0.01858566  0.40151309  0.17581641
   0.77203698  0.43603656  0.10967104
   0.66897695  0.19139614  0.36691494
   0.45481612  0.11643892  0.46155382
   0.69657018  0.05559237  0.53339324
   0.91697798  0.26865334  0.82649037
   0.61829469  0.31803508  0.52591857
   0.82343503  0.52345506  0.83986761
   1.04512878  0.49937704  0.56888293
   0.75996171  0.38003638  0.69393884
   0.78629557  0.08923576  0.95163347
   0.52260304  0.07162847  0.91888708
   0.53567032  0.55108976  0.04892574
   0.89901490  0.71116540  0.27937712
   0.52238673  0.81601708  0.03522055
   0.81938509  0.97472271  0.31707365
   0.91483655  0.89640490  0.15195506
   0.67052980  0.81811339  0.19728385
   0.83510866  0.65934768  0.45345758
   0.60670696  0.58036499  0.39407135
   0.65307958  0.59001808  0.57599831
   0.80703016  0.78503905  0.81411037
   0.59442042  0.81675608  0.48425936
   0.96603824  0.99743787  0.82660403
   1.00030992  0.84761500  0.68249599
   0.75067673  0.99107660  0.70185052
   0.75416316  0.68344360  0.97966670
   0.51089161  0.68224903  0.88362759
   0.78460377  0.81081905  0.58725751
   0.44414328  0.77854011  0.47145291
   0.91300029  0.22338211  0.07451592
   0.72516518  0.60619140  0.12738278
   0.42310610  0.08566200  0.63130180
   0.27701504  0.94212533  0.94530697
  -0.36977910  0.80256991 -0.07247807
   0.28829927  1.10559928  0.04387582
   0.65646667  0.35490071  0.85931634
   0.59704684  0.65316449  0.62387491
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.661930    0.317840   -0.129246
    -0.000000    9.979561    0.087834
    -0.000000    0.000000   14.180583
   Si   O    H 
    32    64    10
Direct configuration=  3102
   0.20391805  0.20736862 -0.01505575
   0.36402637  0.08397877  0.37183446
   0.15282968  0.43998085  0.12016824
   0.41765226  0.33288042  0.25129555
   0.07507751  0.11663710  0.47255773
   0.40811260  0.13326091  0.83527451
   0.14957584  0.36688685  0.58587569
   0.38104870  0.38936126  0.73506181
   0.14550898  0.70143351 -0.00682178
   0.44254074  0.57731188  0.36889507
   0.09271649  0.91985183  0.14759789
   0.34094685  0.82834729  0.26575330
   0.15480675  0.57505086  0.49987806
   0.35014184  0.64360489  0.84408094
   0.11613648  0.86250949  0.60153407
   0.41308034  0.95443268  0.67075513
   0.63347650  0.13110952  0.98865564
   0.81453280  0.13698756  0.32890977
   0.61019836  0.41457401  0.08749910
   0.89612996  0.30240474  0.15027712
   0.61743266  0.16566290  0.47294088
   0.92963341  0.13202880  0.89126237
   0.64140795  0.41639693  0.61575890
   0.78838467  0.38480839  0.80916352
   0.57800105  0.67088748 -0.01295650
   0.91820198  0.59528963  0.36515870
   0.55500851  0.91040052  0.13455302
   0.82385878  0.85158693  0.24078713
   0.67852158  0.67732679  0.47542476
   0.84643940  0.66318338  0.88291330
   0.68124163  0.91620509  0.60545374
   0.87414621  0.90752778  0.75449301
   0.11163649  0.07781092  0.14748285
   0.43094147  0.18298245  0.29330310
   0.17832758  0.35490136  0.02547394
   0.42807558  0.42032966  0.34743045
   0.54756208  0.34914803  0.17872775
   0.27861913  0.39726911  0.19371177
   0.20537451  0.12675353  0.40357773
  -0.06465710  0.15965911  0.40871575
   0.04937059 -0.02446756  0.52496779
   0.45591971  0.24640844  0.76721367
   0.08806881  0.22367273  0.56288577
   0.34406617  0.47073046  0.83627162
   0.49063569  0.44717594  0.66236491
   0.22788175  0.35380388  0.69435498
   0.26838401  0.19925342 -0.12065417
   0.07062300  0.13171017  0.94774786
   0.14500985  0.59313276  0.08482767
   0.40198622  0.67847001  0.28382634
   0.12353201  0.84826617  0.04106129
   0.34930139  0.92493010  0.35904406
   0.42752335  0.91696295  0.18705333
   0.18581710  0.82249903  0.22489650
   0.34742194  0.64386226  0.44955622
   0.08780396  0.57981893  0.39322098
   0.26444673  0.43413506  0.51655270
   0.29894035  0.72457264  0.75026175
   0.14405941  0.72809947  0.54134723
   0.39610597  0.99655053  0.78473219
   0.53984380  0.84875553  0.64878090
   0.27234428  0.91983763  0.62599168
   0.28806210  0.67903810 -0.05601068
   0.01029173  0.67403244  0.91953719
   0.62070484  0.04788151  0.08704691
   0.83071985  0.21672616  0.23457634
   0.60214368  0.28947476  0.01202972
   0.84762240  0.45487796  0.33432906
   0.02002690  0.40139312  0.17561251
   0.77328833  0.43172011  0.10871265
   0.66727160  0.19225897  0.36543849
   0.45379100  0.11777784  0.46246246
   0.69581990  0.05594687  0.53392133
   0.91554702  0.27049757  0.82642511
   0.61888077  0.31806212  0.52758113
   0.82443041  0.52478855  0.84062004
   1.04486185  0.49978683  0.56769952
   0.75842431  0.37933174  0.69344519
   0.78519684  0.08914790  0.95167388
   0.52110921  0.07018686  0.91770431
   0.53703856  0.55029672  0.04840085
   0.89757012  0.70929614  0.27963131
   0.52195126  0.81486608  0.03625793
   0.81764885  0.97526688  0.31738878
   0.91474033  0.89790540  0.15158797
   0.67037724  0.81708382  0.19713009
   0.83542944  0.65953056  0.45285441
   0.60721531  0.58020805  0.39404809
   0.65249740  0.59122935  0.57474793
   0.80889503  0.78514912  0.81347369
   0.59382986  0.81533735  0.48418881
   0.96643368  0.99706824  0.82470115
   0.99919181  0.84802318  0.68156857
   0.75121650  0.98893228  0.70220906
   0.75417841  0.68348652  0.97985994
   0.51045497  0.68286497  0.88369900
   0.78216713  0.81367717  0.58829352
   0.46279118  0.79713780  0.48031410
   0.91691101  0.22910414  0.07712202
   0.70910550  0.68503247  0.12149749
   0.42510860  0.09443180  0.63634506
   0.27340408  0.94341338  0.94459332
  -0.33552041  0.78204295 -0.14238623
   0.28753530  1.10296842  0.04442311
   0.66604221  0.36039608  0.86266218
   0.59998902  0.64502237  0.61483037
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.665172    0.320224   -0.127566
    -0.000000    9.982672    0.087490
    -0.000000    0.000000   14.183522
   Si   O    H 
    32    64    10
Direct configuration=  3103
   0.20324587  0.20696565 -0.01519492
   0.36457765  0.08434030  0.37097472
   0.15274608  0.43915310  0.12013241
   0.41938167  0.33278576  0.25245440
   0.07507954  0.11553221  0.47320802
   0.40774689  0.13375029  0.83615945
   0.15005695  0.36608411  0.58481221
   0.38105137  0.38883603  0.73561828
   0.14485819  0.70096117 -0.00734095
   0.44234802  0.57757641  0.36968156
   0.09272194  0.92134693  0.14742264
   0.34171052  0.82773629  0.26503733
   0.15543774  0.57635842  0.49979905
   0.34895422  0.64358878  0.84401995
   0.11624898  0.86302508  0.60174078
   0.41334654  0.95512138  0.67082149
   0.63530127  0.13227936  0.98758012
   0.81406980  0.13701918  0.32855705
   0.60952183  0.41363729  0.08681840
   0.89739208  0.30335132  0.15099747
   0.61880890  0.16496873  0.47394018
   0.92997208  0.13199651  0.89102596
   0.64191559  0.41650519  0.61532316
   0.78990568  0.38362735  0.80935838
   0.57774921  0.67007086 -0.01331623
   0.91713849  0.59408847  0.36373798
   0.55460119  0.91068969  0.13658722
   0.82415198  0.85163748  0.24029919
   0.67997146  0.67834897  0.47505647
   0.84593444  0.66429905  0.88271296
   0.68192104  0.91560973  0.60630212
   0.87409493  0.90682475  0.75385988
   0.11164119  0.07913513  0.14794911
   0.43016491  0.18215548  0.29355651
   0.17719146  0.35539054  0.02556601
   0.42854360  0.41924487  0.34726565
   0.54752398  0.34853157  0.17809139
   0.27850125  0.39784210  0.19254068
   0.20584454  0.12820831  0.40369687
  -0.06500607  0.15923398  0.40857167
   0.04957527 -0.02485381  0.52460035
   0.45590247  0.24628633  0.76745551
   0.08971709  0.22591410  0.56367240
   0.34548589  0.47253595  0.83585562
   0.49071682  0.44890241  0.66319900
   0.22667082  0.35174786  0.69448183
   0.26777984  0.19838928 -0.11991859
   0.07075197  0.13232593  0.94629496
   0.14555358  0.59405504  0.08527132
   0.40321445  0.67895203  0.28338067
   0.12311210  0.84802083  0.04062260
   0.34953667  0.92594160  0.36008834
   0.42648910  0.91714870  0.18729231
   0.18497154  0.82339813  0.22336706
   0.34551514  0.64204264  0.44865917
   0.08648256  0.58094652  0.39280109
   0.26486908  0.43492298  0.51665802
   0.29892495  0.72368478  0.75007525
   0.14447741  0.72593584  0.54191423
   0.39848826  0.99706759  0.78391021
   0.54129179  0.84985757  0.64892928
   0.27163793  0.91721259  0.62635161
   0.28817254  0.67693049 -0.05533344
   0.00906020  0.67318463  0.91930564
   0.62003084  0.04678509  0.08800859
   0.83027198  0.21581755  0.23508880
   0.60300747  0.28990255  0.01285095
   0.84930913  0.45600833  0.33640773
   0.02002439  0.40099762  0.17536570
   0.77419731  0.42832798  0.10803272
   0.66574587  0.19335241  0.36377560
   0.45282556  0.11898936  0.46310790
   0.69526282  0.05635658  0.53500824
   0.91458453  0.27287162  0.82598749
   0.61929102  0.31782317  0.52856261
   0.82576697  0.52678794  0.84158264
   1.04399433  0.50023261  0.56664117
   0.75737527  0.37914930  0.69313717
   0.78409648  0.08958870  0.95176465
   0.52058760  0.06897219  0.91631244
   0.53801153  0.54883882  0.04830425
   0.89506114  0.70833010  0.27958929
   0.52213442  0.81350363  0.03764170
   0.81686807  0.97535314  0.31723302
   0.91484157  0.89936854  0.15121604
   0.66988996  0.81561109  0.19742121
   0.83577061  0.65921085  0.45275940
   0.60717130  0.58051371  0.39380006
   0.65256321  0.59148276  0.57365245
   0.80996212  0.78538535  0.81323995
   0.59243388  0.81440936  0.48393070
   0.96678239  0.99681654  0.82311554
   0.99731242  0.84881269  0.68109174
   0.75087733  0.98643017  0.70253406
   0.75446233  0.68341484  0.98004721
   0.51087490  0.68309079  0.88332399
   0.78022588  0.81318193  0.58894915
   0.48782558  0.81141839  0.48919730
   0.92356525  0.22229585  0.07007402
   0.69673819  0.76080848  0.11858786
   0.43161642  0.09837486  0.64011504
   0.27210770  0.94473148  0.94407879
  -0.30407370  0.76282539 -0.20784386
   0.28653883  1.10726601  0.04640757
   0.67504247  0.36334804  0.86619617
   0.59449962  0.64312968  0.61265714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.668693    0.322190   -0.125653
    -0.000000    9.985258    0.087449
    -0.000000    0.000000   14.186612
   Si   O    H 
    32    64    10
Direct configuration=  3104
   0.20279879  0.20641784 -0.01504419
   0.36456562  0.08459903  0.37038598
   0.15363115  0.43830002  0.11990045
   0.42115816  0.33267123  0.25348221
   0.07473942  0.11527217  0.47380297
   0.40751769  0.13422195  0.83777472
   0.15012234  0.36592435  0.58398301
   0.38093008  0.38866898  0.73608165
   0.14429731  0.70037299 -0.00785131
   0.44207753  0.57706829  0.37069317
   0.09284732  0.92292569  0.14747043
   0.34219245  0.82689332  0.26430731
   0.15610756  0.57766411  0.49964548
   0.34843467  0.64374604  0.84367312
   0.11625112  0.86437246  0.60179932
   0.41330145  0.95574015  0.67096157
   0.63641229  0.13350852  0.98684784
   0.81386163  0.13728563  0.32831759
   0.60901687  0.41247357  0.08678883
   0.89859815  0.30414416  0.15165754
   0.61959312  0.16486683  0.47515243
   0.92955933  0.13157516  0.89040668
   0.64185877  0.41665157  0.61499019
   0.79057580  0.38161819  0.80943731
   0.57809463  0.67024661 -0.01413114
   0.91621689  0.59248290  0.36190796
   0.55472904  0.91145293  0.13778264
   0.82509464  0.85179546  0.24010348
   0.68092845  0.67908380  0.47434346
   0.84622690  0.66579221  0.88295018
   0.68254599  0.91562977  0.60675787
   0.87471056  0.90659005  0.75327330
   0.11147498  0.08080176  0.14872634
   0.42917108  0.18188225  0.29352742
   0.17643081  0.35628235  0.02543511
   0.42915035  0.41862889  0.34697474
   0.54699152  0.34805928  0.17784907
   0.27924714  0.39783961  0.19147418
   0.20674833  0.12908981  0.40412035
  -0.06599252  0.15878326  0.40859327
   0.05014976 -0.02607413  0.52430892
   0.45604660  0.24692193  0.76752830
   0.09174485  0.22684090  0.56480080
   0.34709674  0.47526354  0.83528602
   0.49117483  0.45122505  0.66381568
   0.22533910  0.35029616  0.69455245
   0.26816147  0.19680103 -0.11940231
   0.06999151  0.13282780  0.94558155
   0.14588195  0.59563371  0.08579106
   0.40326279  0.67958833  0.28293791
   0.12332551  0.84854537  0.03974200
   0.34934865  0.92716561  0.36096745
   0.42440265  0.91714677  0.18784318
   0.18418255  0.82430069  0.22216641
   0.34310981  0.64051758  0.44809340
   0.08508940  0.58161524  0.39174295
   0.26533886  0.43535079  0.51634073
   0.29763891  0.72275758  0.74993697
   0.14409322  0.72471619  0.54246431
   0.40083402  0.99698668  0.78231286
   0.54299584  0.85132905  0.64939741
   0.26998626  0.91414647  0.62731345
   0.28862804  0.67526010 -0.05432493
   0.00785330  0.67303321  0.91901561
   0.61966592  0.04471797  0.08909966
   0.83011545  0.21590820  0.23469814
   0.60330982  0.29001352  0.01258174
   0.85061141  0.45756935  0.33770607
   0.01985227  0.40073418  0.17511200
   0.77599007  0.42513643  0.10750152
   0.66383759  0.19421428  0.36279457
   0.45251798  0.12095951  0.46377431
   0.69445053  0.05633982  0.53575055
   0.91389472  0.27496494  0.82568812
   0.62059343  0.31774856  0.52921260
   0.82654855  0.52820198  0.84210040
   1.04244833  0.49987999  0.56643914
   0.75618312  0.37868865  0.69282930
   0.78417901  0.09024033  0.95078098
   0.51994006  0.06886274  0.91507819
   0.53861474  0.54755581  0.04795089
   0.89290482  0.70781741  0.27867809
   0.52230510  0.81246165  0.03936776
   0.81620423  0.97446341  0.31678926
   0.91498302  0.90147222  0.15117741
   0.66933407  0.81461042  0.19733467
   0.83743256  0.65967314  0.45313003
   0.60729626  0.58135603  0.39272877
   0.65349234  0.59040034  0.57277086
   0.80956278  0.78598494  0.81263833
   0.59051417  0.81349073  0.48383405
   0.96619309  0.99607975  0.82169302
   0.99529632  0.85014220  0.68128278
   0.74985557  0.98405277  0.70337291
   0.75436601  0.68327910  0.97986333
   0.51174603  0.68399111  0.88223001
   0.78124114  0.80746543  0.58832710
   0.51292666  0.82157690  0.49323799
   0.93121246  0.21676540  0.06328082
   0.68754972  0.82842123  0.11814460
   0.43993372  0.09724864  0.64306817
   0.27122691  0.94821944  0.94408043
  -0.26720416  0.75260498 -0.26404435
   0.28291175  1.11730661  0.04767305
   0.67636339  0.36054534  0.87012914
   0.58223084  0.64553892  0.61640530
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.672606    0.323962   -0.123783
    -0.000000    9.987735    0.087416
    -0.000000    0.000000   14.189663
   Si   O    H 
    32    64    10
Direct configuration=  3105
   0.20233476  0.20615392 -0.01496159
   0.36463497  0.08476922  0.37059230
   0.15503207  0.43788824  0.12017153
   0.42260515  0.33296026  0.25416672
   0.07471385  0.11478391  0.47445134
   0.40751130  0.13444886  0.83954845
   0.15047605  0.36553947  0.58378703
   0.38018850  0.38824461  0.73645589
   0.14312221  0.69941209 -0.00775309
   0.44160207  0.57631686  0.37183743
   0.09345557  0.92439946  0.14709449
   0.34237402  0.82641242  0.26379187
   0.15675229  0.57822961  0.49909747
   0.34810421  0.64388919  0.84347855
   0.11636622  0.86483221  0.60188229
   0.41309414  0.95600985  0.67089597
   0.63733553  0.13420060  0.98648186
   0.81344158  0.13724714  0.32830087
   0.60912644  0.41086286  0.08644622
   0.90010998  0.30543130  0.15264021
   0.62014211  0.16550673  0.47645658
   0.92960810  0.13084438  0.88960753
   0.64102862  0.41664311  0.61465659
   0.79090793  0.38011617  0.80932478
   0.57858522  0.67100860 -0.01480852
   0.91558339  0.59105772  0.36066547
   0.55443243  0.91223967  0.13835559
   0.82663002  0.85136042  0.24008720
   0.68132958  0.67928491  0.47316405
   0.84715387  0.66730750  0.88399975
   0.68313693  0.91600160  0.60707022
   0.87566697  0.90639023  0.75248171
   0.11107416  0.08288245  0.15032790
   0.42750044  0.18211717  0.29353778
   0.17612177  0.35718717  0.02481183
   0.42987932  0.41871352  0.34667076
   0.54616892  0.34705835  0.17810314
   0.28057371  0.39713251  0.19052153
   0.20714969  0.12927670  0.40477520
  -0.06755943  0.15847820  0.40884305
   0.05025000 -0.02661608  0.52388820
   0.45724494  0.24795299  0.76770966
   0.09338796  0.22665894  0.56507191
   0.34801574  0.47803151  0.83476637
   0.49145712  0.45385866  0.66429005
   0.22486640  0.34876466  0.69486636
   0.26848034  0.19537690 -0.11893274
   0.06821450  0.13364977  0.94511493
   0.14677554  0.59707894  0.08612121
   0.40369808  0.68039065  0.28264219
   0.12398807  0.84952726  0.03925278
   0.34927342  0.92741721  0.36183130
   0.42202002  0.91799424  0.18877991
   0.18337357  0.82511109  0.22121079
   0.34094796  0.63972014  0.44760342
   0.08289501  0.58311411  0.39051824
   0.26579631  0.43474976  0.51595218
   0.29642918  0.72168466  0.74995958
   0.14369470  0.72481831  0.54328706
   0.40322484  0.99690852  0.78077828
   0.54433064  0.85317544  0.65005387
   0.26792453  0.91193093  0.62786130
   0.28841173  0.67432314 -0.05271160
   0.00724886  0.67282033  0.91863308
   0.61991588  0.04306874  0.09020395
   0.83010565  0.21686032  0.23387044
   0.60351345  0.29008827  0.01206820
   0.85113045  0.45905154  0.33890131
   0.02033458  0.40065033  0.17550871
   0.77791531  0.42276872  0.10680905
   0.66259697  0.19552534  0.36258504
   0.45235212  0.12240138  0.46470584
   0.69498493  0.05503082  0.53687155
   0.91354918  0.27718195  0.82555495
   0.62222723  0.31727242  0.53008509
   0.82719283  0.52933443  0.84178376
   1.04088068  0.49872910  0.56628261
   0.75402784  0.37869251  0.69242767
   0.78477219  0.09170033  0.94999144
   0.51963903  0.06891148  0.91411324
   0.53922854  0.54540997  0.04766937
   0.89034231  0.70679124  0.27737604
   0.52284538  0.81166104  0.04129372
   0.81593764  0.97339297  0.31584597
   0.91509846  0.90251726  0.15071718
   0.66884066  0.81332385  0.19705301
   0.83978115  0.66017954  0.45334818
   0.60792999  0.58290067  0.39135771
   0.65414953  0.58930248  0.57306396
   0.80854339  0.78673536  0.81168294
   0.59330242  0.81241227  0.48334528
   0.96541301  0.99551164  0.82102013
   0.99422674  0.85127694  0.68150395
   0.74820521  0.98255145  0.70439096
   0.75385127  0.68179012  0.97983693
   0.51283845  0.68468690  0.88122122
   0.77764194  0.79734517  0.58822271
   0.46327311  0.83834310  0.50360644
   0.93860781  0.21465988  0.06231779
   0.69411785  0.88401579  0.11793946
   0.44817529  0.09304787  0.64190799
   0.26995160  0.94861318  0.94510464
  -0.23016739  0.74220468 -0.31172365
   0.27949666  1.12732649  0.05100186
   0.67268657  0.35462099  0.87234079
   0.57903765  0.63954722  0.61677263
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.676723    0.325661   -0.122439
    -0.000000    9.990422    0.087423
    -0.000000    0.000000   14.192614
   Si   O    H 
    32    64    10
Direct configuration=  3106
   0.20094959  0.20622018 -0.01491468
   0.36474117  0.08560875  0.37124403
   0.15600859  0.43778360  0.12046205
   0.42331569  0.33346586  0.25490779
   0.07496734  0.11504610  0.47550324
   0.40756113  0.13403259  0.84095812
   0.15112964  0.36580102  0.58412083
   0.37862473  0.38811154  0.73701691
   0.14167258  0.69855136 -0.00772506
   0.44047092  0.57575626  0.37290862
   0.09367275  0.92614810  0.14696085
   0.34222148  0.82651589  0.26341649
   0.15749855  0.57879316  0.49871201
   0.34811156  0.64417498  0.84292040
   0.11585384  0.86502986  0.60152396
   0.41215556  0.95657400  0.67104396
   0.63775486  0.13469527  0.98620642
   0.81323319  0.13733203  0.32857196
   0.60934887  0.40947122  0.08637145
   0.90065358  0.30692986  0.15345957
   0.62031974  0.16655295  0.47701996
   0.92935666  0.13006127  0.88869105
   0.64010074  0.41744230  0.61419359
   0.79095004  0.37879073  0.80943966
   0.57870781  0.67161638 -0.01559573
   0.91506756  0.58980991  0.35957633
   0.55345600  0.91309940  0.13839692
   0.82852286  0.85172610  0.24035930
   0.68132853  0.67916123  0.47190640
   0.84856538  0.66916089  0.88515717
   0.68355875  0.91664921  0.60693273
   0.87657474  0.90611407  0.75152183
   0.11095819  0.08506291  0.15155221
   0.42554490  0.18255854  0.29345772
   0.17551918  0.35798526  0.02356541
   0.43012988  0.41876245  0.34611183
   0.54466387  0.34631025  0.17785660
   0.28282171  0.39553320  0.18959022
   0.20672080  0.13003939  0.40516441
  -0.06909474  0.15879515  0.40965902
   0.05059743 -0.02597589  0.52332499
   0.45884533  0.24871183  0.76785704
   0.09386045  0.22578847  0.56488194
   0.34910879  0.48083350  0.83393589
   0.49199993  0.45635221  0.66443543
   0.22415663  0.34737722  0.69538360
   0.26854097  0.19518720 -0.11811480
   0.06591972  0.13449735  0.94530329
   0.14678616  0.59806049  0.08588134
   0.40456947  0.68061860  0.28172199
   0.12517017  0.85029925  0.03927982
   0.34887194  0.92698909  0.36268521
   0.41794761  0.91820442  0.19007263
   0.18224324  0.82649211  0.22052076
   0.33851742  0.63835411  0.44720543
   0.08073128  0.58329337  0.38898356
   0.26614300  0.43365088  0.51519125
   0.29577489  0.72024143  0.74966517
   0.14283377  0.72564238  0.54418559
   0.40522398  0.99740351  0.77966324
   0.54612517  0.85505387  0.65097611
   0.26559071  0.91035190  0.62846763
   0.28763223  0.67369557 -0.05108127
   0.00738753  0.67269269  0.91817841
   0.62009381  0.04167431  0.09108738
   0.83070051  0.21755116  0.23310967
   0.60345597  0.29051733  0.01146142
   0.85170904  0.45941868  0.34000373
   0.02112766  0.39988983  0.17562243
   0.77897891  0.42056475  0.10626991
   0.66214576  0.19603548  0.36305091
   0.45232751  0.12357442  0.46548466
   0.69507140  0.05332314  0.53789229
   0.91352175  0.27802384  0.82503583
   0.62341092  0.31672042  0.53117788
   0.82747720  0.52957861  0.84162056
   1.03992937  0.49700042  0.56559041
   0.75201767  0.37913799  0.69254479
   0.78620875  0.09372811  0.94880176
   0.52062992  0.06934706  0.91337365
   0.54041969  0.54319395  0.04718276
   0.88854698  0.70650073  0.27632755
   0.52474750  0.81106372  0.04329177
   0.81485405  0.97149144  0.31506253
   0.91486157  0.90327927  0.15044178
   0.66882844  0.81274848  0.19673026
   0.84219542  0.66021112  0.45369342
   0.60786441  0.58471236  0.39004356
   0.65343653  0.58806457  0.57327778
   0.80790177  0.78651221  0.81123815
   0.59477290  0.81206414  0.48286657
   0.96440660  0.99409585  0.82042803
   0.99350503  0.85210161  0.68160513
   0.74665360  0.98074890  0.70538086
   0.75303043  0.68064867  0.98018399
   0.51354393  0.68571827  0.87939389
   0.77750749  0.78720867  0.58854917
   0.43476501  0.84974806  0.50846235
   0.94321931  0.21475396  0.06553606
   0.71808099  0.92453316  0.11690080
   0.45508230  0.08491210  0.63860417
   0.27058541  0.94673873  0.94745796
  -0.19540704  0.73631896 -0.35615169
   0.27949626  1.13588251  0.05675455
   0.67178618  0.34904507  0.87244339
   0.58080168  0.63675119  0.61475637
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.680862    0.327766   -0.120993
    -0.000000    9.993203    0.087905
    -0.000000    0.000000   14.195582
   Si   O    H 
    32    64    10
Direct configuration=  3107
   0.19980656  0.20668211 -0.01472813
   0.36507588  0.08711748  0.37208232
   0.15703211  0.43877886  0.12056270
   0.42339450  0.33416618  0.25504114
   0.07541601  0.11592057  0.47644916
   0.40721662  0.13363198  0.84208768
   0.15166753  0.36659558  0.58415664
   0.37700959  0.38745556  0.73750499
   0.14029979  0.69756699 -0.00734200
   0.43976317  0.57566216  0.37368484
   0.09346884  0.92813713  0.14645623
   0.34159808  0.82702235  0.26301679
   0.15817058  0.57971257  0.49795588
   0.34827541  0.64458140  0.84235239
   0.11504932  0.86511568  0.60119400
   0.41084371  0.95686936  0.67116677
   0.63767523  0.13497240  0.98583904
   0.81330073  0.13832057  0.32826588
   0.61001351  0.40779662  0.08627990
   0.90085583  0.30856496  0.15386410
   0.61982795  0.16796126  0.47729232
   0.92855078  0.12940633  0.88752416
   0.63833412  0.41805690  0.61379654
   0.79027876  0.37811086  0.80942383
   0.57910964  0.67245080 -0.01590729
   0.91550107  0.58884175  0.35847638
   0.55170629  0.91334627  0.13756753
   0.83039442  0.85242865  0.24051522
   0.68064857  0.67856185  0.47038857
   0.85040506  0.67113563  0.88610788
   0.68342303  0.91740636  0.60713024
   0.87738302  0.90573799  0.75046243
   0.11072730  0.08690927  0.15290671
   0.42348535  0.18235185  0.29273094
   0.17379181  0.35824944  0.02183521
   0.43037611  0.41891704  0.34580058
   0.54300656  0.34559042  0.17809768
   0.28593926  0.39399134  0.18863468
   0.20539438  0.13086843  0.40644424
  -0.06970516  0.15909656  0.41016469
   0.05094671 -0.02620090  0.52291638
   0.46077984  0.24955481  0.76850920
   0.09336324  0.22381820  0.56378332
   0.35019265  0.48287607  0.83373282
   0.49263364  0.45913368  0.66495682
   0.22360052  0.34603685  0.69576534
   0.26927818  0.19573377 -0.11703609
   0.06390187  0.13485860  0.94589301
   0.14639805  0.59888889  0.08546895
   0.40572133  0.68054964  0.28064177
   0.12594006  0.85088072  0.03945223
   0.34888375  0.92567540  0.36289218
   0.41387059  0.91933471  0.19104260
   0.18078827  0.82726005  0.22018147
   0.33630754  0.63638863  0.44666264
   0.07795917  0.58381115  0.38719785
   0.26693648  0.43264590  0.51432600
   0.29460220  0.71855403  0.74931095
   0.14201695  0.72722749  0.54562932
   0.40618020  0.99752067  0.77895992
   0.54684024  0.85724328  0.65172266
   0.26466505  0.90852247  0.62853499
   0.28728124  0.67293263 -0.04982244
   0.00777653  0.67328375  0.91797040
   0.62135301  0.04097205  0.09188757
   0.83133952  0.21852733  0.23231695
   0.60344481  0.29077432  0.01076329
   0.85132496  0.45887025  0.34141465
   0.02189430  0.39984399  0.17583842
   0.77980782  0.41740663  0.10579299
   0.66221755  0.19597218  0.36397751
   0.45230231  0.12476260  0.46580174
   0.69525537  0.05090921  0.53900860
   0.91313035  0.27763444  0.82480171
   0.62475496  0.31552826  0.53214589
   0.82824581  0.52848484  0.84107233
   1.03850302  0.49494655  0.56559427
   0.75063522  0.37999811  0.69277500
   0.78792635  0.09614609  0.94725878
   0.52259102  0.06988564  0.91357708
   0.54122073  0.54130552  0.04686837
   0.88693608  0.70668272  0.27548829
   0.52596780  0.80995521  0.04518494
   0.81435368  0.96927084  0.31467590
   0.91465889  0.90396765  0.15017588
   0.66872506  0.81364040  0.19647678
   0.84361170  0.65961694  0.45471461
   0.60741536  0.58736984  0.38908826
   0.65243586  0.58732207  0.57397609
   0.80606611  0.78582722  0.81101331
   0.59617209  0.81261647  0.48281094
   0.96425919  0.99379302  0.82020151
   0.99237526  0.85229530  0.68165491
   0.74533573  0.98026371  0.70572473
   0.75173053  0.67992699  0.98040127
   0.51393570  0.68600397  0.87817645
   0.78056936  0.77546455  0.59292880
   0.41779627  0.85541762  0.50877042
   0.94554489  0.21803347  0.07429045
   0.74422297  0.96529690  0.11534418
   0.46385203  0.07903254  0.63473209
   0.26821614  0.94353565  0.94773889
  -0.16615302  0.73324876 -0.40174171
   0.28108453  1.14193014  0.06300291
   0.67129875  0.34410804  0.86921532
   0.58530987  0.63386417  0.61272909
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.684950    0.329674   -0.120181
    -0.000000    9.996160    0.088798
    -0.000000    0.000000   14.198389
   Si   O    H 
    32    64    10
Direct configuration=  3108
   0.19841712  0.20723252 -0.01440593
   0.36451525  0.08858477  0.37328523
   0.15811665  0.44008519  0.12036471
   0.42374169  0.33490609  0.25477545
   0.07573165  0.11722982  0.47716270
   0.40718131  0.13356266  0.84257694
   0.15294782  0.36702026  0.58412373
   0.37559685  0.38648756  0.73764752
   0.13878035  0.69692138 -0.00664085
   0.43885102  0.57615397  0.37419871
   0.09327394  0.93025554  0.14547521
   0.34022225  0.82758661  0.26297368
   0.15933774  0.58088010  0.49667878
   0.34832751  0.64514867  0.84164828
   0.11457285  0.86494120  0.60049270
   0.41041447  0.95734636  0.67147324
   0.63814113  0.13487051  0.98532294
   0.81334254  0.13883700  0.32790557
   0.61089204  0.40639960  0.08683840
   0.90086495  0.30977648  0.15386447
   0.61868308  0.17023782  0.47743354
   0.92763193  0.12843193  0.88593947
   0.63678783  0.41852248  0.61333403
   0.78960991  0.37759250  0.80958902
   0.57980901  0.67376833 -0.01587955
   0.91640990  0.58906171  0.35737673
   0.55076735  0.91234205  0.13675922
   0.83169678  0.85208783  0.24088076
   0.67968185  0.67749528  0.46889822
   0.85196882  0.67246982  0.88691993
   0.68302483  0.91817524  0.60741451
   0.87830341  0.90506890  0.74957004
   0.11012762  0.08918459  0.15395511
   0.42132267  0.18144072  0.29222647
   0.17240806  0.35814874  0.02003858
   0.43019059  0.41908081  0.34548845
   0.54194987  0.34504144  0.17924321
   0.28877711  0.39273019  0.18813011
   0.20432313  0.13147840  0.40748665
  -0.06990137  0.15901665  0.41125368
   0.05122748 -0.02698077  0.52280834
   0.46238862  0.25036575  0.76932148
   0.09339893  0.22230485  0.56226408
   0.35130159  0.48509552  0.83305732
   0.49313463  0.46110809  0.66563571
   0.22293133  0.34423776  0.69609273
   0.27048924  0.19552302 -0.11624494
   0.06231008  0.13569513  0.94698759
   0.14561878  0.59916407  0.08506285
   0.40671258  0.68026960  0.27919410
   0.12579512  0.85093648  0.03951579
   0.34888679  0.92354370  0.36306487
   0.40907803  0.92064583  0.19217840
   0.17951061  0.82759125  0.21971247
   0.33424422  0.63396866  0.44716084
   0.07518518  0.58447447  0.38501050
   0.26772374  0.43252090  0.51366471
   0.29352206  0.71698433  0.74904828
   0.14046709  0.72838294  0.54700276
   0.40728475  0.99777891  0.77839679
   0.54800458  0.85842597  0.65239149
   0.26427808  0.90701759  0.62877651
   0.28714156  0.67251829 -0.04916152
   0.00903923  0.67366385  0.91805272
   0.62413828  0.04081733  0.09228793
   0.83184314  0.21969803  0.23230886
   0.60345700  0.29060697  0.00912840
   0.84977552  0.45752664  0.34196305
   0.02292798  0.40029002  0.17602312
   0.78025037  0.41402530  0.10574219
   0.66238061  0.19593429  0.36498918
   0.45300799  0.12556888  0.46654299
   0.69538275  0.04847338  0.53974854
   0.91328859  0.27643031  0.82513671
   0.62616712  0.31377469  0.53265278
   0.82936612  0.52734472  0.84037794
   1.03752330  0.49290583  0.56549812
   0.74950316  0.38092239  0.69288319
   0.78973279  0.09794033  0.94566898
   0.52491954  0.07028003  0.91419262
   0.54232757  0.53995074  0.04650311
   0.88541137  0.70706017  0.27495892
   0.52660322  0.80846373  0.04755107
   0.81437264  0.96770581  0.31487509
   0.91419663  0.90450486  0.15033512
   0.66939491  0.81484506  0.19620095
   0.84525221  0.65943518  0.45591184
   0.60708662  0.59049784  0.38833035
   0.65162714  0.58625510  0.57488044
   0.80393300  0.78571105  0.80996485
   0.59785249  0.81318879  0.48310685
   0.96264576  0.99424021  0.82032706
   0.99277393  0.85189265  0.68145357
   0.74448490  0.98040003  0.70548819
   0.75022328  0.67908926  0.98027954
   0.51365966  0.68672175  0.87655747
   0.76949661  0.77624047  0.59613016
   0.40967331  0.85567933  0.50724866
   0.94710262  0.22185999  0.08310298
   0.76546297  1.00699277  0.11310757
   0.46955415  0.07692037  0.62858619
   0.26682891  0.93901450  0.94822394
  -0.12299513  0.71949430 -0.44183395
   0.27973684  1.14451682  0.06733846
   0.66937061  0.34088463  0.86342604
   0.58570802  0.63262026  0.61232347
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.689382    0.331067   -0.119734
    -0.000000    9.999265    0.089484
    -0.000000    0.000000   14.200849
   Si   O    H 
    32    64    10
Direct configuration=  3109
   0.19784522  0.20725289 -0.01356682
   0.36413662  0.09041408  0.37463500
   0.15912492  0.44148537  0.12006442
   0.42410067  0.33595914  0.25425310
   0.07592965  0.11891651  0.47768471
   0.40750683  0.13347137  0.84247731
   0.15378249  0.36762292  0.58419659
   0.37400385  0.38634833  0.73769503
   0.13762633  0.69648399 -0.00599374
   0.43845186  0.57719176  0.37414336
   0.09291991  0.93255244  0.14428922
   0.33826385  0.82843279  0.26327964
   0.16060194  0.58219429  0.49538335
   0.34873290  0.64592368  0.84103605
   0.11364484  0.86457036  0.59991565
   0.40983803  0.95792337  0.67129978
   0.63840630  0.13385886  0.98476538
   0.81346347  0.13935849  0.32777731
   0.61267729  0.40494383  0.08697150
   0.89995385  0.31091685  0.15373276
   0.61750651  0.17233061  0.47717864
   0.92638375  0.12824631  0.88436202
   0.63533607  0.41956530  0.61280259
   0.78880914  0.37782346  0.80991646
   0.58021738  0.67464608 -0.01595121
   0.91706626  0.58990427  0.35600666
   0.55029715  0.90982507  0.13633124
   0.83246604  0.85131876  0.24132200
   0.67805768  0.67685985  0.46768790
   0.85381750  0.67372731  0.88741098
   0.68266128  0.91848468  0.60773905
   0.87903502  0.90421883  0.74860274
   0.10995424  0.09053503  0.15465985
   0.41882325  0.18046059  0.29200050
   0.17105204  0.35846964  0.01825005
   0.42974238  0.41893578  0.34548062
   0.54154376  0.34465788  0.18057228
   0.29152768  0.39142172  0.18736353
   0.20362373  0.13189084  0.40815956
  -0.06961286  0.15844570  0.41211370
   0.05214560 -0.02766768  0.52281510
   0.46393970  0.25133555  0.77002256
   0.09379169  0.22066328  0.56172385
   0.35312612  0.48659176  0.83204850
   0.49291234  0.46131321  0.66678902
   0.22275467  0.34282379  0.69545545
   0.27089299  0.19624243 -0.11596444
   0.06153626  0.13596201  0.94828688
   0.14502112  0.59900043  0.08430306
   0.40790916  0.68096182  0.27792219
   0.12650702  0.85182731  0.03946741
   0.34843269  0.92276468  0.36321087
   0.40488904  0.92205838  0.19242312
   0.17847425  0.82805831  0.21964526
   0.33181219  0.63167938  0.44846282
   0.07360714  0.58530586  0.38354824
   0.26778997  0.43195144  0.51319079
   0.29288589  0.71494350  0.74913591
   0.13907280  0.72881300  0.54759628
   0.40770763  0.99834469  0.77861290
   0.54776592  0.85987668  0.65309916
   0.26456421  0.90540000  0.62957793
   0.28703266  0.67264326 -0.04853973
   0.00950227  0.67443321  0.91833924
   0.62733096  0.04184995  0.09286990
   0.83189230  0.22048803  0.23176169
   0.60273284  0.29057166  0.00795144
   0.84837689  0.45466462  0.34222681
   0.02421075  0.40072660  0.17632534
   0.78123678  0.41159235  0.10528417
   0.66265645  0.19536658  0.36625364
   0.45378559  0.12536998  0.46707075
   0.69448707  0.04680528  0.54010103
   0.91465107  0.27456746  0.82579029
   0.62768275  0.31180193  0.53262961
   0.82979995  0.52652885  0.83973690
   1.03755268  0.49113315  0.56539526
   0.74868494  0.38265098  0.69310883
   0.79048038  0.10055567  0.94409766
   0.52677735  0.07006090  0.91460080
   0.54328517  0.53850668  0.04638240
   0.88401997  0.70743643  0.27476979
   0.52756844  0.80789154  0.04977795
   0.81385915  0.96721762  0.31596942
   0.91437433  0.90498717  0.15027563
   0.66967892  0.81632003  0.19494288
   0.84632854  0.65923541  0.45715886
   0.60596532  0.59351183  0.38822672
   0.65063060  0.58534429  0.57488715
   0.80264261  0.78533467  0.80881945
   0.59956428  0.81421467  0.48320445
   0.96168423  0.99526624  0.82056770
   0.99331299  0.85134322  0.68067517
   0.74330943  0.98106780  0.70507879
   0.74871013  0.67815121  0.98013618
   0.51278242  0.68782392  0.87512355
   0.77184807  0.77675476  0.59533457
   0.40825830  0.85284284  0.50351575
   0.95243902  0.22431723  0.08806011
   0.77944274  1.04544594  0.11125022
   0.47239297  0.07481942  0.62266810
   0.26552825  0.93572627  0.94879157
  -0.09766377  0.70629023 -0.47905695
   0.27900787  1.14902550  0.07045406
   0.66606471  0.33740335  0.85774188
   0.57915498  0.63266558  0.61256920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.693689    0.332601   -0.119492
    -0.000000   10.002158    0.090372
    -0.000000    0.000000   14.203428
   Si   O    H 
    32    64    10
Direct configuration=  3110
   0.19780878  0.20761423 -0.01251508
   0.36331360  0.09224889  0.37643916
   0.16044576  0.44276869  0.11974023
   0.42467636  0.33632974  0.25366530
   0.07523710  0.12051967  0.47797494
   0.40771498  0.13359823  0.84234904
   0.15476230  0.36837590  0.58438265
   0.37307538  0.38590371  0.73772153
   0.13674491  0.69614273 -0.00564273
   0.43789030  0.57786006  0.37432677
   0.09245850  0.93424425  0.14278021
   0.33585341  0.82855933  0.26350261
   0.16134065  0.58321052  0.49386137
   0.34997882  0.64701915  0.84097343
   0.11347505  0.86388052  0.59975125
   0.40899430  0.95878199  0.67079551
   0.63895950  0.13278951  0.98440379
   0.81435448  0.13847348  0.32827133
   0.61457647  0.40315969  0.08690812
   0.89915838  0.31174516  0.15344072
   0.61555043  0.17364102  0.47668983
   0.92522971  0.12877093  0.88323130
   0.63367639  0.42127939  0.61261959
   0.78783786  0.37792438  0.80955575
   0.58101322  0.67506304 -0.01600978
   0.91800229  0.59057958  0.35470381
   0.54954946  0.90724252  0.13612821
   0.83242312  0.85071470  0.24182667
   0.67653864  0.67595964  0.46678229
   0.85519225  0.67505853  0.88805835
   0.68231947  0.91879087  0.60775592
   0.87949623  0.90362093  0.74834487
   0.10989978  0.09201375  0.15469783
   0.41590800  0.17932311  0.29142261
   0.16955320  0.35983996  0.01647118
   0.42899444  0.41951748  0.34585689
   0.54196010  0.34370677  0.18168700
   0.29491770  0.39083088  0.18734015
   0.20310114  0.13226483  0.40905571
  -0.06975693  0.15770904  0.41388888
   0.05328969 -0.02842476  0.52229876
   0.46548290  0.25214134  0.77064451
   0.09451837  0.21948724  0.56150341
   0.35420250  0.48679957  0.83116508
   0.49234090  0.46070487  0.66785149
   0.22321292  0.34158201  0.69514999
   0.27194559  0.19686271 -0.11540949
   0.06092021  0.13596882  0.94953657
   0.14450519  0.59861919  0.08380016
   0.40877595  0.68132951  0.27642963
   0.12665482  0.85308380  0.03956591
   0.34767334  0.92187415  0.36373625
   0.40310730  0.92350659  0.19211866
   0.17712360  0.82878931  0.21970771
   0.32907813  0.62997971  0.45021808
   0.07260400  0.58586957  0.38248864
   0.26829368  0.43106891  0.51243601
   0.29198725  0.71347257  0.74947261
   0.13732119  0.72807637  0.54765859
   0.40873397  0.99886821  0.77842150
   0.54670096  0.86174154  0.65338791
   0.26552111  0.90380679  0.63110394
   0.28687214  0.67293427 -0.04820680
   0.01088102  0.67473259  0.91931005
   0.63085917  0.04339745  0.09332883
   0.83274714  0.22125016  0.23139607
   0.60199818  0.28995861  0.00738936
   0.84677641  0.45252244  0.34231990
   0.02584086  0.40173605  0.17682513
   0.78153406  0.40988350  0.10521672
   0.66316355  0.19455049  0.36734419
   0.45476750  0.12520809  0.46715805
   0.69279974  0.04507711  0.54005580
   0.91621648  0.27251905  0.82674276
   0.62926139  0.31057702  0.53256533
   0.82993819  0.52570160  0.83968120
   1.03869385  0.48949235  0.56531013
   0.74777111  0.38446846  0.69331051
   0.79194017  0.10247056  0.94283631
   0.52814846  0.07066988  0.91518690
   0.54437544  0.53737142  0.04637003
   0.88258056  0.70790597  0.27403326
   0.52863506  0.80692422  0.05188789
   0.81327033  0.96662846  0.31722438
   0.91503156  0.90562513  0.15010440
   0.67007867  0.81882557  0.19349479
   0.84799160  0.66009500  0.45891850
   0.60491827  0.59651705  0.38846080
   0.64970411  0.58540108  0.57495933
   0.80164413  0.78574201  0.80772824
   0.60049384  0.81551974  0.48385235
   0.96073985  0.99591882  0.82109746
   0.99416511  0.85043764  0.68008928
   0.74274426  0.98146874  0.70462418
   0.74770211  0.67814962  0.97999371
   0.51248156  0.68840912  0.87397113
   0.77414132  0.78278221  0.59466552
   0.40870507  0.84789922  0.49656588
   0.96019734  0.22065573  0.08964628
   0.78594712  1.07867239  0.10853877
   0.47198143  0.07071127  0.61734594
   0.26170113  0.93196162  0.94958682
  -0.08123946  0.68741852 -0.51976806
   0.28134190  1.15123033  0.07111047
   0.66224528  0.33504725  0.85408825
   0.57494263  0.63506683  0.61315844
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.697900    0.333858   -0.119242
    -0.000000   10.004877    0.091593
    -0.000000    0.000000   14.205756
   Si   O    H 
    32    64    10
Direct configuration=  3111
   0.19693593  0.20795138 -0.01135529
   0.36182688  0.09343110  0.37811681
   0.16204569  0.44323444  0.11958106
   0.42501592  0.33674984  0.25303569
   0.07461529  0.12156380  0.47788950
   0.40797632  0.13384134  0.84185725
   0.15550992  0.36854275  0.58485063
   0.37295640  0.38583659  0.73783022
   0.13522581  0.69579799 -0.00560766
   0.43750936  0.57901456  0.37414196
   0.09169388  0.93541382  0.14148202
   0.33330552  0.82874930  0.26390181
   0.16177073  0.58339861  0.49216654
   0.35143760  0.64822911  0.84074054
   0.11317151  0.86300389  0.59955090
   0.40837022  0.95975419  0.67053671
   0.63964319  0.13217542  0.98420286
   0.81508158  0.13782988  0.32892374
   0.61663621  0.40169635  0.08656382
   0.89824961  0.31249289  0.15271566
   0.61357124  0.17460981  0.47639846
   0.92424946  0.13049514  0.88185015
   0.63233433  0.42279530  0.61238010
   0.78668362  0.37819587  0.80923532
   0.58143641  0.67557133 -0.01615152
   0.91828847  0.59050889  0.35366357
   0.54911313  0.90431637  0.13618588
   0.83141242  0.84960872  0.24199339
   0.67515549  0.67527469  0.46643063
   0.85598746  0.67576384  0.88875185
   0.68183227  0.91920808  0.60786165
   0.88012297  0.90245661  0.74858184
   0.11008365  0.09352292  0.15371469
   0.41286413  0.17835149  0.29063196
   0.16780734  0.36179121  0.01488184
   0.42819040  0.41982752  0.34685253
   0.54280254  0.34293452  0.18241036
   0.29723284  0.39084136  0.18704874
   0.20291596  0.13247561  0.41008237
  -0.06900800  0.15732396  0.41568124
   0.05421026 -0.02850220  0.52186240
   0.46613357  0.25247480  0.77157557
   0.09555426  0.21869599  0.56160250
   0.35592450  0.48641509  0.82980106
   0.49186930  0.46007742  0.66930640
   0.22372564  0.34114394  0.69435921
   0.27358442  0.19725502 -0.11480975
   0.06084567  0.13609597  0.95075144
   0.14435664  0.59819349  0.08377004
   0.40956141  0.68180556  0.27533827
   0.12727742  0.85423972  0.03997807
   0.34629690  0.92172484  0.36459687
   0.40218106  0.92544650  0.19107149
   0.17596021  0.82943989  0.22018525
   0.32694038  0.62850711  0.45224007
   0.07269039  0.58713050  0.38206572
   0.26992096  0.42926577  0.51168499
   0.29120728  0.71277077  0.74965892
   0.13596725  0.72628200  0.54683452
   0.40915667  0.99989553  0.77781983
   0.54490293  0.86227754  0.65417731
   0.26669449  0.90238915  0.63249928
   0.28705584  0.67332689 -0.04803158
   0.01312263  0.67468438  0.92035854
   0.63447809  0.04540861  0.09380944
   0.83242333  0.22152599  0.23120001
   0.60112939  0.28897616  0.00711235
   0.84418624  0.45043872  0.34252524
   0.02719907  0.40253587  0.17769484
   0.78134877  0.40887961  0.10509024
   0.66326139  0.19323890  0.36816241
   0.45513403  0.12581923  0.46736308
   0.69081509  0.04379157  0.53988715
   0.91815326  0.27104469  0.82741134
   0.63124611  0.30941608  0.53302129
   0.82980502  0.52600010  0.83929310
   1.03966435  0.48846303  0.56547970
   0.74714930  0.38619490  0.69349400
   0.79295738  0.10401913  0.94167399
   0.52841801  0.07124196  0.91543015
   0.54560829  0.53665509  0.04621663
   0.88331811  0.70773440  0.27405397
   0.52989416  0.80590309  0.05299596
   0.81258004  0.96652051  0.31813369
   0.91591251  0.90589187  0.15049754
   0.67038323  0.82061109  0.19191439
   0.84554362  0.65906772  0.45938879
   0.60301936  0.59897915  0.38815368
   0.64983290  0.58527217  0.57528092
   0.80183657  0.78561255  0.80673569
   0.60142111  0.81728778  0.48346854
   0.96019877  0.99640828  0.82134359
   0.99567683  0.84926554  0.67860992
   0.74325540  0.98230426  0.70434533
   0.74754670  0.67752820  0.97981116
   0.51289002  0.68802959  0.87301281
   0.77361345  0.79663473  0.59436127
   0.40938471  0.84271553  0.48816709
   0.96392581  0.21064373  0.08775897
   0.78681547  1.10878909  0.10806387
   0.46703791  0.06619833  0.61328851
   0.25622368  0.92649483  0.95150891
  -0.00697287  0.69469189 -0.53201007
   0.28311991  1.15265493  0.07103642
   0.65626442  0.33205416  0.85074375
   0.57458987  0.63376984  0.61213661
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.702452    0.335447   -0.118722
    -0.000000   10.007692    0.092963
    -0.000000    0.000000   14.208275
   Si   O    H 
    32    64    10
Direct configuration=  3112
   0.19619015  0.20826104 -0.01057049
   0.36040723  0.09416778  0.37945527
   0.16457183  0.44327761  0.11916986
   0.42491382  0.33694436  0.25264901
   0.07348476  0.12254669  0.47765270
   0.40860228  0.13372547  0.84120784
   0.15595706  0.36864513  0.58570107
   0.37343699  0.38629132  0.73818656
   0.13410353  0.69558456 -0.00559519
   0.43696718  0.57940048  0.37367010
   0.09031293  0.93612177  0.14049441
   0.33054160  0.82880004  0.26434964
   0.16247545  0.58281328  0.49096547
   0.35328319  0.64929374  0.84114395
   0.11335987  0.86226580  0.59909267
   0.40717212  0.96040655  0.67056377
   0.64055946  0.13151714  0.98454493
   0.81608853  0.13732931  0.32967188
   0.61761289  0.40071601  0.08631252
   0.89833360  0.31326152  0.15180229
   0.61207902  0.17508690  0.47643445
   0.92351931  0.13169590  0.88047718
   0.63166989  0.42346422  0.61241375
   0.78596384  0.37780380  0.80864791
   0.58113684  0.67638085 -0.01676415
   0.91717028  0.59001391  0.35274359
   0.54874125  0.90167721  0.13612225
   0.83029932  0.84856537  0.24202032
   0.67408086  0.67491652  0.46650631
   0.85647684  0.67637171  0.88980033
   0.68202335  0.91927289  0.60806852
   0.88003225  0.90119478  0.74852278
   0.11040665  0.09305724  0.15301497
   0.40986680  0.17837311  0.29007721
   0.16571046  0.36361004  0.01410746
   0.42708640  0.42121922  0.34799283
   0.54414720  0.34275817  0.18261093
   0.29888107  0.39010265  0.18584390
   0.20329831  0.13260022  0.41080022
  -0.06794777  0.15727640  0.41644570
   0.05499549 -0.02805120  0.52168990
   0.46650669  0.25229719  0.77270531
   0.09619704  0.21829780  0.56225516
   0.35765989  0.48529487  0.82820024
   0.49139894  0.45928108  0.67078086
   0.22437862  0.34134339  0.69329069
   0.27488460  0.19872219 -0.11419797
   0.06077189  0.13541317  0.95184937
   0.14485636  0.59694689  0.08365894
   0.40998812  0.68264584  0.27490100
   0.12717457  0.85584822  0.04037051
   0.34498533  0.92134426  0.36540078
   0.40145825  0.92838666  0.18985828
   0.17546420  0.83015237  0.22095524
   0.32505155  0.62729766  0.45374483
   0.07434798  0.58860842  0.38204902
   0.27067342  0.42724012  0.51131867
   0.29058496  0.71204718  0.74946077
   0.13451133  0.72523819  0.54529036
   0.40887904  1.00277827  0.77693561
   0.54312294  0.86205824  0.65518230
   0.26798423  0.90180165  0.63379857
   0.28653113  0.67316888 -0.04811961
   0.01569937  0.67500970  0.92113322
   0.63730329  0.04728295  0.09374385
   0.83139461  0.22096780  0.23129604
   0.60024324  0.28686960  0.00652404
   0.84179183  0.44906310  0.34279615
   0.02882345  0.40376940  0.17845301
   0.78140183  0.40766221  0.10476947
   0.66324795  0.19170329  0.36929333
   0.45552723  0.12688721  0.46715300
   0.68904350  0.04382556  0.53908265
   0.91934455  0.27012117  0.82796253
   0.63335088  0.30850594  0.53342935
   0.82952092  0.52712363  0.83910353
   1.04078337  0.48816112  0.56555999
   0.74591777  0.38730019  0.69319460
   0.79374422  0.10435729  0.94095400
   0.52825787  0.07261288  0.91565502
   0.54705661  0.53643633  0.04586599
   0.88493323  0.70706114  0.27422702
   0.53042815  0.80471610  0.05314995
   0.81180536  0.96675652  0.31984548
   0.91746045  0.90600324  0.15109098
   0.67119141  0.82267478  0.19027624
   0.84299823  0.65761400  0.45947593
   0.60117431  0.60015094  0.38800228
   0.64980141  0.58605364  0.57595552
   0.80234829  0.78455429  0.80687645
   0.60168047  0.81936820  0.48279724
   0.95920715  0.99772385  0.82201161
   0.99798350  0.84817864  0.67689652
   0.74407039  0.98290722  0.70418244
   0.74765651  0.67683152  0.97918583
   0.51386807  0.68853549  0.87264008
   0.77482164  0.81103836  0.59453426
   0.41047343  0.83870170  0.48461617
   0.96014814  0.20507836  0.08588669
   0.78219743  1.13476824  0.10756755
   0.45869522  0.06697408  0.60720968
   0.24865321  0.92342654  0.95449341
   0.05232487  0.70821526 -0.54271028
   0.28319751  1.15550935  0.06958073
   0.65309646  0.33110101  0.84816149
   0.57554354  0.63084480  0.61056947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.707364    0.336900   -0.118055
    -0.000000   10.010304    0.094318
    -0.000000    0.000000   14.210502
   Si   O    H 
    32    64    10
Direct configuration=  3113
   0.19515740  0.20882139 -0.00941544
   0.35882364  0.09471590  0.38044346
   0.16722641  0.44276315  0.11892554
   0.42437695  0.33684836  0.25217511
   0.07174544  0.12339070  0.47775534
   0.40964478  0.13386022  0.84085956
   0.15688905  0.36824406  0.58618923
   0.37385625  0.38619643  0.73792744
   0.13357490  0.69536223 -0.00573549
   0.43630731  0.57981471  0.37292279
   0.08876524  0.93623133  0.13949387
   0.32879056  0.82852375  0.26480784
   0.16370729  0.58169396  0.48998201
   0.35566309  0.64955559  0.84224869
   0.11375075  0.86117952  0.59850965
   0.40657517  0.96102411  0.67054711
   0.64121368  0.13101500  0.98530636
   0.81711386  0.13653938  0.33049410
   0.61843539  0.39967198  0.08634036
   0.89843189  0.31369530  0.15100995
   0.61115968  0.17518920  0.47658644
   0.92323845  0.13281991  0.87908908
   0.63086060  0.42360864  0.61204516
   0.78522184  0.37754909  0.80747342
   0.58045878  0.67691941 -0.01708758
   0.91516761  0.58983559  0.35199610
   0.54854609  0.90007722  0.13583106
   0.82866403  0.84803754  0.24189581
   0.67300043  0.67519229  0.46718272
   0.85672517  0.67704892  0.89057831
   0.68272624  0.91874727  0.60803766
   0.88008569  0.90016024  0.74833009
   0.11086659  0.09168545  0.15208195
   0.40677201  0.17896625  0.28935938
   0.16406686  0.36494404  0.01353861
   0.42693537  0.42327543  0.34908222
   0.54590539  0.34253683  0.18228014
   0.30059089  0.39003468  0.18433715
   0.20372670  0.13375910  0.41120808
  -0.06684129  0.15754163  0.41705014
   0.05595174 -0.02747375  0.52103381
   0.46606199  0.25206417  0.77336762
   0.09674291  0.21895331  0.56296050
   0.35914752  0.48374197  0.82708691
   0.49055486  0.45793638  0.67162537
   0.22542002  0.34221061  0.69252489
   0.27606831  0.20012522 -0.11370573
   0.06040793  0.13451533  0.95248957
   0.14500319  0.59539399  0.08376339
   0.41050026  0.68393921  0.27471827
   0.12799574  0.85677240  0.03987100
   0.34388748  0.92134505  0.36577735
   0.40106137  0.93101817  0.18839743
   0.17532518  0.83027666  0.22119034
   0.32371626  0.62634200  0.45437584
   0.07599986  0.59043930  0.38195765
   0.27074556  0.42472068  0.51126724
   0.28912473  0.71088473  0.74909349
   0.13298480  0.72441714  0.54351455
   0.40819347  1.00549714  0.77647594
   0.54064480  0.86087522  0.65619372
   0.26872521  0.90102412  0.63489533
   0.28585662  0.67311901 -0.04836064
   0.01735475  0.67606647  0.92199913
   0.63880264  0.04858262  0.09385550
   0.83034073  0.21961163  0.23157384
   0.59967181  0.28484440  0.00588311
   0.83930776  0.44771723  0.34258513
   0.03040530  0.40555576  0.17946114
   0.78143400  0.40696997  0.10441336
   0.66357187  0.19000840  0.37033981
   0.45611395  0.12740410  0.46721747
   0.68706969  0.04457155  0.53818019
   0.92001258  0.27026841  0.82767597
   0.63485441  0.30747319  0.53418717
   0.82969217  0.52860879  0.83896118
   1.04149531  0.48816911  0.56605498
   0.74439243  0.38860874  0.69340330
   0.79316779  0.10445402  0.94013071
   0.52883363  0.07427122  0.91581939
   0.54804334  0.53711328  0.04526927
   0.88651620  0.70651874  0.27475657
   0.53072308  0.80271558  0.05221610
   0.81126509  0.96622026  0.32188819
   0.91989217  0.90573420  0.15186425
   0.67274733  0.82514148  0.18998499
   0.84149241  0.65684015  0.45967423
   0.59992667  0.60100837  0.38711665
   0.64992458  0.58709693  0.57602700
   0.80378382  0.78340711  0.80709604
   0.60192854  0.82147246  0.48128081
   0.95850730  0.99903452  0.82248260
   1.00011823  0.84615657  0.67549509
   0.74571250  0.98365687  0.70446261
   0.74770432  0.67673922  0.97786427
   0.51505790  0.68912840  0.87303795
   0.77877691  0.82078505  0.59489240
   0.41441923  0.83311526  0.48267709
   0.95364630  0.20229880  0.08392289
   0.77156783  1.15618190  0.10796638
   0.44943550  0.06722545  0.60130483
   0.24010819  0.91683094  0.95945711
   0.10319142  0.72682761 -0.55201646
   0.28021133  1.15592911  0.06736010
   0.65014255  0.33342585  0.84630728
   0.57337236  0.62675111  0.61191054
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.712238    0.337406   -0.117522
    -0.000000   10.012781    0.095970
    -0.000000    0.000000   14.212736
   Si   O    H 
    32    64    10
Direct configuration=  3114
   0.19373031  0.20941293 -0.00826368
   0.35751945  0.09483962  0.38120564
   0.16885206  0.44212695  0.11864690
   0.42357532  0.33620120  0.25196281
   0.07077088  0.12392159  0.47749966
   0.41088729  0.13404663  0.84058810
   0.15756674  0.36779715  0.58692574
   0.37422750  0.38575717  0.73770630
   0.13328682  0.69557536 -0.00550430
   0.43591950  0.58074301  0.37215032
   0.08730426  0.93660366  0.13940394
   0.32730995  0.82835620  0.26524275
   0.16523404  0.58029553  0.48942307
   0.35716218  0.64958653  0.84345108
   0.11439646  0.85941231  0.59791294
   0.40640756  0.96142676  0.67019904
   0.64185708  0.13059916  0.98618695
   0.81838823  0.13570773  0.33118032
   0.61963464  0.39857318  0.08639582
   0.89938745  0.31414372  0.15053186
   0.61057105  0.17443761  0.47685462
   0.92319090  0.13365905  0.87740473
   0.63019226  0.42341313  0.61177411
   0.78499681  0.37755968  0.80663972
   0.58046042  0.67731207 -0.01787705
   0.91297275  0.58949601  0.35182910
   0.54833055  0.89909765  0.13513976
   0.82616144  0.84811798  0.24144523
   0.67253351  0.67499544  0.46786988
   0.85686562  0.67790185  0.89121083
   0.68300340  0.91872740  0.60827015
   0.87974016  0.89877693  0.74847145
   0.11126252  0.09060012  0.15108015
   0.40399152  0.17984326  0.28890428
   0.16215276  0.36609022  0.01273945
   0.42673466  0.42566418  0.35016284
   0.54888327  0.34265113  0.18139378
   0.30242599  0.38976582  0.18264224
   0.20383915  0.13585148  0.41140934
  -0.06513122  0.15739224  0.41722716
   0.05757496 -0.02730549  0.51994623
   0.46570045  0.25177443  0.77355092
   0.09722431  0.21932266  0.56339006
   0.35958237  0.48277893  0.82603178
   0.48880614  0.45726677  0.67205346
   0.22634731  0.34299092  0.69196555
   0.27672646  0.20153072 -0.11307629
   0.05918405  0.13297205  0.95340468
   0.14473501  0.59456375  0.08341944
   0.41060229  0.68475721  0.27448641
   0.12919249  0.85685556  0.03963833
   0.34351274  0.92198591  0.36612309
   0.40155242  0.93283000  0.18704073
   0.17451878  0.83067481  0.22171739
   0.32309598  0.62640370  0.45525909
   0.07786058  0.59302035  0.38198238
   0.27018331  0.42167315  0.51116661
   0.28724759  0.70973159  0.74941600
   0.13181835  0.72379283  0.54121410
   0.40673107  1.00739473  0.77661652
   0.53770626  0.85968882  0.65713746
   0.26849311  0.89995406  0.63541313
   0.28450647  0.67371763 -0.04908918
   0.01751858  0.67644519  0.92308546
   0.63989363  0.05105752  0.09425265
   0.82936179  0.21869482  0.23165853
   0.59843435  0.28242103  0.00483989
   0.83796048  0.44741765  0.34213779
   0.03282313  0.40750354  0.18062957
   0.78144575  0.40658330  0.10408351
   0.66407612  0.18807532  0.37146691
   0.45576173  0.12795747  0.46763367
   0.68501851  0.04566833  0.53696486
   0.91983052  0.27081972  0.82665691
   0.63703330  0.30655795  0.53504568
   0.82900963  0.52989768  0.83806532
   1.04302016  0.48762233  0.56575713
   0.74264836  0.38888207  0.69299044
   0.79188790  0.10492285  0.93960076
   0.52891324  0.07644140  0.91581160
   0.54868708  0.53794617  0.04473099
   0.88754196  0.70527369  0.27510954
   0.53079123  0.80043035  0.05101948
   0.80995908  0.96534453  0.32286562
   0.92220473  0.90545653  0.15219026
   0.67459865  0.82729998  0.18975830
   0.83990665  0.65635722  0.45894586
   0.59829410  0.60121703  0.38599899
   0.64951607  0.58745302  0.57559805
   0.80537620  0.78319097  0.80795624
   0.60201903  0.82330310  0.48060636
   0.95834683  0.99967899  0.82261259
   1.00288090  0.84436062  0.67411558
   0.74705850  0.98459216  0.70465386
   0.74809577  0.67655775  0.97668309
   0.51638432  0.68935130  0.87347638
   0.79043866  0.81879914  0.59566007
   0.42337458  0.82970668  0.48054866
   0.94653165  0.20187492  0.08420341
   0.76088728  1.17064645  0.10993984
   0.43618264  0.06829925  0.59496001
   0.22765008  0.90879364  0.96673203
   0.14792708  0.74994179 -0.55883500
   0.27743141  1.15688496  0.06545540
   0.65146182  0.33526551  0.84358800
   0.56965741  0.62709418  0.61359102
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.717071    0.337646   -0.117151
    -0.000000   10.014512    0.097396
    -0.000000    0.000000   14.215005
   Si   O    H 
    32    64    10
Direct configuration=  3115
   0.19202804  0.20951914 -0.00731983
   0.35619221  0.09474428  0.38228223
   0.16981838  0.44148068  0.11804807
   0.42312564  0.33600725  0.25179956
   0.06903436  0.12471045  0.47700056
   0.41221219  0.13409840  0.84053840
   0.15873849  0.36669132  0.58772102
   0.37475368  0.38566317  0.73721247
   0.13282062  0.69580464 -0.00487868
   0.43472410  0.58157708  0.37179045
   0.08555749  0.93689554  0.13999877
   0.32626147  0.82812452  0.26577848
   0.16679268  0.57826179  0.48899548
   0.35918200  0.64921542  0.84476411
   0.11471731  0.85815809  0.59717482
   0.40703233  0.96106304  0.66969390
   0.64248187  0.13004562  0.98713235
   0.81924789  0.13470249  0.33165729
   0.62041212  0.39788514  0.08641758
   0.90063414  0.31394735  0.15040551
   0.61005924  0.17305077  0.47739071
   0.92302789  0.13487057  0.87654487
   0.62926686  0.42318524  0.61208836
   0.78571198  0.37762943  0.80619586
   0.58164136  0.67752843 -0.01856806
   0.91083776  0.58919040  0.35206494
   0.54858837  0.89805040  0.13458753
   0.82373410  0.84849775  0.24073935
   0.67261523  0.67535386  0.46866877
   0.85698196  0.67812130  0.89148811
   0.68319238  0.91881536  0.60797553
   0.87952665  0.89763432  0.74880687
   0.11069976  0.08951957  0.15031044
   0.40145658  0.18075659  0.28829527
   0.16069064  0.36702237  0.01249424
   0.42674153  0.42688641  0.35067142
   0.55243651  0.34331981  0.18036889
   0.30372074  0.38945222  0.18071132
   0.20449381  0.13783228  0.41153318
  -0.06495293  0.15726848  0.41701332
   0.05935371 -0.02792062  0.51898601
   0.46543251  0.25080717  0.77393997
   0.09795768  0.21997470  0.56425681
   0.35965151  0.48279421  0.82523469
   0.48733305  0.45625912  0.67212515
   0.22686660  0.34443893  0.69237039
   0.27708329  0.20244513 -0.11232510
   0.05863072  0.13090321  0.95449462
   0.14455754  0.59333250  0.08381727
   0.41093404  0.68518266  0.27442984
   0.13039780  0.85634903  0.03874783
   0.34382320  0.92285039  0.36611788
   0.40237372  0.93372052  0.18575558
   0.17451032  0.83104460  0.22219147
   0.32305992  0.62646816  0.45609574
   0.08024466  0.59610269  0.38270724
   0.26953948  0.41942720  0.51102233
   0.28528105  0.70821722  0.74927054
   0.13047980  0.72324694  0.53905259
   0.40501231  1.00913408  0.77679925
   0.53530523  0.85836001  0.65792964
   0.26790334  0.89873341  0.63539546
   0.28287912  0.67462102 -0.05097297
   0.01696777  0.67643736  0.92399537
   0.63999501  0.05348104  0.09470181
   0.82910230  0.21803007  0.23177185
   0.59728173  0.28072650  0.00442487
   0.83722134  0.44681939  0.34149248
   0.03504944  0.40842573  0.18146733
   0.78178086  0.40664113  0.10381744
   0.66558145  0.18618049  0.37229112
   0.45517767  0.12846414  0.46815900
   0.68278737  0.04659480  0.53560685
   0.91926400  0.27133938  0.82539032
   0.63940993  0.30626178  0.53605474
   0.82833359  0.53052671  0.83734509
   1.04393359  0.48710816  0.56601960
   0.74125187  0.38926265  0.69284918
   0.78993559  0.10558234  0.93874232
   0.52847543  0.07867585  0.91571917
   0.54994317  0.53940685  0.04405748
   0.88810481  0.70418420  0.27555228
   0.53050353  0.79778804  0.04984148
   0.80910710  0.96460896  0.32339188
   0.92459914  0.90517765  0.15270957
   0.67712417  0.82906013  0.18929292
   0.83801031  0.65547450  0.45911778
   0.59660763  0.60127474  0.38539769
   0.64893866  0.58764536  0.57530316
   0.80716206  0.78261697  0.80906090
   0.60138608  0.82501295  0.48024790
   0.95846054  1.00005637  0.82248459
   1.00561724  0.84248658  0.67311472
   0.74883268  0.98542084  0.70501932
   0.74800807  0.67624061  0.97566406
   0.51807247  0.69020822  0.87429266
   0.79960533  0.81475430  0.59358862
   0.43738379  0.82463338  0.47895530
   0.94448591  0.20463446  0.08627285
   0.75003921  1.17603247  0.11111333
   0.42045092  0.06756059  0.59217823
   0.21057875  0.90291692  0.97717153
   0.18828684  0.77461709 -0.56232795
   0.27757939  1.15419100  0.06714074
   0.65521143  0.33636486  0.84374301
   0.56867290  0.62707773  0.61375241
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.721665    0.337968   -0.116775
    -0.000000   10.015969    0.099561
    -0.000000    0.000000   14.217335
   Si   O    H 
    32    64    10
Direct configuration=  3116
   0.19040522  0.20958802 -0.00673423
   0.35447635  0.09449151  0.38314275
   0.17059260  0.44091303  0.11712451
   0.42286213  0.33530837  0.25166356
   0.06728029  0.12490182  0.47635488
   0.41364638  0.13473861  0.84080740
   0.15963251  0.36573798  0.58807976
   0.37514401  0.38544097  0.73711596
   0.13346015  0.69594408 -0.00409713
   0.43325498  0.58257841  0.37178452
   0.08387006  0.93717566  0.14115515
   0.32532682  0.82852953  0.26634862
   0.16815151  0.57576305  0.48914777
   0.36118626  0.64899032  0.84594539
   0.11556569  0.85678409  0.59660630
   0.40842782  0.96084114  0.66947397
   0.64366022  0.12926677  0.98839739
   0.81973391  0.13331056  0.33235906
   0.62108225  0.39682156  0.08641413
   0.90160372  0.31338401  0.15043809
   0.61008323  0.17104909  0.47768602
   0.92337016  0.13552569  0.87630674
   0.62817276  0.42261273  0.61283106
   0.78675737  0.37820356  0.80566553
   0.58255923  0.67700623 -0.01902746
   0.90803330  0.58867829  0.35233461
   0.54945874  0.89675657  0.13426045
   0.82153485  0.84882238  0.23993782
   0.67298348  0.67586825  0.46922503
   0.85663610  0.67846526  0.89159419
   0.68295867  0.91851589  0.60784936
   0.87948770  0.89622407  0.74900654
   0.11004642  0.08947819  0.14970508
   0.39953197  0.18211780  0.28782957
   0.15980721  0.36785089  0.01244699
   0.42619006  0.42903539  0.35076585
   0.55555307  0.34338214  0.17924389
   0.30458204  0.38935464  0.17878950
   0.20486361  0.13932916  0.41149473
  -0.06538554  0.15737060  0.41628493
   0.06109833 -0.02904680  0.51852954
   0.46528889  0.24992085  0.77351664
   0.09828484  0.22061479  0.56512877
   0.35909990  0.48339868  0.82512083
   0.48658229  0.45578475  0.67164942
   0.22763463  0.34614403  0.69286573
   0.27759450  0.20320720 -0.11158114
   0.05787557  0.12910367  0.95558004
   0.14450416  0.59267739  0.08383373
   0.41176075  0.68630742  0.27425730
   0.13208157  0.85559527  0.03704992
   0.34491152  0.92362734  0.36534891
   0.40305727  0.93331065  0.18453684
   0.17406803  0.83185426  0.22263605
   0.32339732  0.62744498  0.45681750
   0.08207193  0.59863327  0.38326788
   0.26947047  0.41741087  0.51118660
   0.28355286  0.70671828  0.74936076
   0.12938427  0.72317790  0.53708116
   0.40279962  1.01095225  0.77667028
   0.53410640  0.85684613  0.65881456
   0.26716838  0.89734326  0.63500284
   0.28017363  0.67544592 -0.05342299
   0.01565162  0.67725257  0.92504727
   0.63955339  0.05562597  0.09488936
   0.82887655  0.21754534  0.23257817
   0.59696479  0.28052308  0.00411408
   0.83591771  0.44626041  0.34037974
   0.03739345  0.41036635  0.18189966
   0.78139733  0.40687069  0.10429840
   0.66762445  0.18411738  0.37331472
   0.45453655  0.12820519  0.46842315
   0.68086275  0.04878556  0.53416375
   0.91786002  0.27236038  0.82455699
   0.64112310  0.30573915  0.53696387
   0.82789293  0.53074282  0.83624157
   1.04450653  0.48734136  0.56599844
   0.73984441  0.38960111  0.69294504
   0.78822839  0.10586115  0.93816570
   0.52760980  0.08076978  0.91576883
   0.55048370  0.54172103  0.04377167
   0.88880885  0.70362654  0.27551889
   0.53134658  0.79603680  0.04868164
   0.80935713  0.96422352  0.32411741
   0.92612675  0.90398011  0.15314199
   0.67867780  0.83071365  0.18905215
   0.83651954  0.65461255  0.45923656
   0.59411289  0.60156788  0.38518496
   0.64819118  0.58769515  0.57504232
   0.80840823  0.78178466  0.81039986
   0.60028656  0.82610463  0.48007271
   0.95913261  1.00061569  0.82197322
   1.00660312  0.84103710  0.67277080
   0.75144362  0.98648511  0.70547849
   0.74823481  0.67643195  0.97473515
   0.51976269  0.69138611  0.87480109
   0.80494008  0.81219080  0.59271343
   0.46582873  0.81918537  0.47625372
   0.94475743  0.20679033  0.08905985
   0.73989433  1.17281609  0.11324210
   0.40628547  0.06778981  0.59497684
   0.19332198  0.89804495  0.98833671
   0.22280372  0.79985120 -0.56179397
   0.27657255  1.14969808  0.06926120
   0.66039240  0.33388469  0.84762614
   0.57578990  0.62596051  0.61170316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.726258    0.338365   -0.116470
    -0.000000   10.017302    0.102433
    -0.000000    0.000000   14.219426
   Si   O    H 
    32    64    10
Direct configuration=  3117
   0.18907254  0.20951741 -0.00658285
   0.35315853  0.09424876  0.38383404
   0.17191152  0.43961100  0.11622075
   0.42276400  0.33488353  0.25147627
   0.06547558  0.12464492  0.47593968
   0.41509227  0.13537782  0.84150141
   0.16013317  0.36511436  0.58765054
   0.37562275  0.38495859  0.73715230
   0.13448154  0.69547993 -0.00340392
   0.43151508  0.58339674  0.37149022
   0.08241719  0.93744014  0.14233168
   0.32496973  0.82947058  0.26711276
   0.16901192  0.57363425  0.48871262
   0.36272109  0.64908437  0.84627808
   0.11723628  0.85598057  0.59606335
   0.40977549  0.96056443  0.66909038
   0.64474453  0.12859630  0.98978885
   0.82010617  0.13181659  0.33312816
   0.62182200  0.39575462  0.08597283
   0.90251082  0.31322829  0.15056343
   0.60992328  0.16910264  0.47823328
   0.92385976  0.13619055  0.87618783
   0.62719998  0.42270173  0.61386828
   0.78815249  0.37963446  0.80502894
   0.58353345  0.67584357 -0.01949960
   0.90568754  0.58814977  0.35281205
   0.55063108  0.89558739  0.13470231
   0.81959288  0.84909602  0.23890007
   0.67358233  0.67670246  0.46932714
   0.85571679  0.67834808  0.89168622
   0.68312407  0.91813615  0.60747429
   0.87976929  0.89504064  0.74967491
   0.10929514  0.08915067  0.14933702
   0.39705011  0.18386000  0.28715916
   0.15933295  0.36887685  0.01249780
   0.42465920  0.42969933  0.35045114
   0.55713740  0.34325949  0.17808548
   0.30570590  0.38993323  0.17667880
   0.20404542  0.14003905  0.41177963
  -0.06588233  0.15741132  0.41528301
   0.06265167 -0.02973629  0.51792866
   0.46561506  0.24982299  0.77327851
   0.09920173  0.22009000  0.56585067
   0.35812522  0.48404220  0.82525998
   0.48663230  0.45580365  0.67108794
   0.22884222  0.34683696  0.69364664
   0.27911337  0.20304366 -0.11083166
   0.05693896  0.12765031  0.95635286
   0.14329931  0.59169279  0.08399531
   0.41234000  0.68701584  0.27444730
   0.13302529  0.85478164  0.03520964
   0.34620790  0.92462804  0.36450093
   0.40404865  0.93306143  0.18319347
   0.17263105  0.83353998  0.22235163
   0.32354019  0.62828810  0.45738820
   0.08400187  0.59981680  0.38414514
   0.26918309  0.41598018  0.51071772
   0.28198274  0.70594357  0.74982692
   0.12857975  0.72380209  0.53481247
   0.40053734  1.01120234  0.77643784
   0.53368466  0.85567611  0.65988857
   0.26599068  0.89626272  0.63422994
   0.27780274  0.67620613 -0.05539750
   0.01450866  0.67828703  0.92541162
   0.63895968  0.05744540  0.09502354
   0.82834604  0.21658757  0.23372452
   0.59692412  0.28120695  0.00377158
   0.83509992  0.44666723  0.33943712
   0.03913931  0.41200956  0.18173220
   0.78087285  0.40784042  0.10484236
   0.66914949  0.18280280  0.37377924
   0.45289708  0.12847544  0.46866263
   0.67970944  0.05059345  0.53325920
   0.91653670  0.27417758  0.82329734
   0.64170442  0.30512774  0.53761579
   0.82721327  0.53087864  0.83537549
   1.04545542  0.48673920  0.56560185
   0.73828721  0.39002909  0.69293772
   0.78669074  0.10603617  0.93804681
   0.52669631  0.08217165  0.91627963
   0.55101085  0.54327601  0.04395872
   0.88966354  0.70414767  0.27529164
   0.53249316  0.79510051  0.04793012
   0.80903715  0.96393475  0.32405253
   0.92761384  0.90257954  0.15319728
   0.68015816  0.83234324  0.18895304
   0.83508348  0.65368305  0.45906399
   0.59185438  0.60201585  0.38523398
   0.64734719  0.58796076  0.57481128
   0.80989257  0.78104631  0.81155772
   0.59885414  0.82648514  0.47993132
   0.95991890  1.00087778  0.82119835
   1.00711797  0.84001403  0.67236197
   0.75372702  0.98692602  0.70570451
   0.74788155  0.67690968  0.97420376
   0.52145380  0.69203344  0.87530271
   0.80281015  0.81062629  0.59287532
   0.50684011  0.82029080  0.47442617
   0.94380100  0.20707083  0.09120786
   0.72654654  1.16226754  0.11384796
   0.39827406  0.06928129  0.59902611
   0.17377767  0.89639738  1.00122531
   0.25208258  0.81946945 -0.56019281
   0.27454385  1.14586601  0.07027866
   0.66979059  0.33141877  0.85112860
   0.57498248  0.62956392  0.61372466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.730916    0.338454   -0.116132
    -0.000000   10.018600    0.105245
    -0.000000    0.000000   14.221636
   Si   O    H 
    32    64    10
Direct configuration=  3118
   0.18816335  0.20992770 -0.00684325
   0.35204994  0.09415577  0.38405125
   0.17325155  0.43809449  0.11516122
   0.42311916  0.33505965  0.25121851
   0.06396668  0.12517854  0.47582947
   0.41619668  0.13640370  0.84190371
   0.16108638  0.36399457  0.58714784
   0.37637802  0.38433859  0.73731934
   0.13553016  0.69516895 -0.00274996
   0.42939261  0.58466600  0.37110677
   0.08151115  0.93788974  0.14365730
   0.32493621  0.83062891  0.26764534
   0.16923956  0.57153951  0.48831799
   0.36446374  0.64889180  0.84631993
   0.11905406  0.85449418  0.59543426
   0.41054318  0.96095808  0.66880352
   0.64493505  0.12798953  0.99119307
   0.82094430  0.13080181  0.33409831
   0.62261514  0.39533055  0.08496009
   0.90370761  0.31337576  0.15097180
   0.61035852  0.16798382  0.47887195
   0.92517906  0.13649366  0.87657618
   0.62585486  0.42273239  0.61477720
   0.78985621  0.38072194  0.80413330
   0.58408580  0.67435206 -0.01962364
   0.90482075  0.58678125  0.35365012
   0.55203808  0.89458334  0.13497986
   0.81788221  0.84936441  0.23793241
   0.67413388  0.67724219  0.46920197
   0.85514377  0.67714757  0.89169329
   0.68414064  0.91749822  0.60680390
   0.87991262  0.89412107  0.74985855
   0.10906175  0.08803496  0.14900609
   0.39424603  0.18525650  0.28656017
   0.15904320  0.36852265  0.01251579
   0.42237618  0.42995042  0.34978298
   0.55653131  0.34326532  0.17744540
   0.30634984  0.38989789  0.17503988
   0.20358785  0.14114016  0.41177970
  -0.06667932  0.15637620  0.41394903
   0.06343751 -0.03032754  0.51754626
   0.46676968  0.24999212  0.77390961
   0.09919555  0.21919831  0.56637367
   0.35851232  0.48469591  0.82562003
   0.48726386  0.45588126  0.67027350
   0.22972524  0.34743041  0.69449946
   0.28016824  0.20318872 -0.11018503
   0.05536380  0.12673662  0.95648639
   0.14222019  0.59152353  0.08436567
   0.41230447  0.68775959  0.27496150
   0.13103449  0.85115862  0.03624304
   0.34753814  0.92584666  0.36408661
   0.40434156  0.93254977  0.18228024
   0.17139606  0.83537399  0.22198044
   0.32460943  0.62932511  0.45791506
   0.08570960  0.60125812  0.38451122
   0.26874980  0.41465908  0.51012577
   0.28114359  0.70533264  0.75047041
   0.12764810  0.72422477  0.53218967
   0.39833691  1.01106519  0.77619563
   0.53431041  0.85325327  0.66038947
   0.26450100  0.89542593  0.63319164
   0.27544396  0.67753153 -0.05725899
   0.01262897  0.67958536  0.92553955
   0.63787319  0.05890313  0.09501856
   0.82767604  0.21598732  0.23471752
   0.59801026  0.28220451  0.00344216
   0.83406911  0.44733256  0.33895679
   0.04059668  0.41306409  0.18196219
   0.78011265  0.40968296  0.10477518
   0.67146712  0.18180741  0.37393599
   0.45143755  0.12919052  0.46881680
   0.67900642  0.05165594  0.53300052
   0.91519133  0.27612619  0.82240373
   0.64175915  0.30497756  0.53819414
   0.82695785  0.53071356  0.83436481
   1.04648426  0.48660551  0.56450642
   0.73692877  0.39042082  0.69305731
   0.78527508  0.10645914  0.93767826
   0.52574816  0.08386540  0.91739901
   0.55210000  0.54478120  0.04312712
   0.88999812  0.70506713  0.27474051
   0.53455725  0.79519419  0.04731255
   0.80784341  0.96380892  0.32323973
   0.92884410  0.89978911  0.15349170
   0.68122100  0.83408567  0.18916907
   0.83384860  0.65345935  0.45920157
   0.58963390  0.60207875  0.38574416
   0.64709178  0.58825849  0.57528194
   0.81193166  0.78123029  0.81201658
   0.59961943  0.82684506  0.47959976
   0.96135071  1.00084252  0.82083043
   1.00683333  0.84051152  0.67305512
   0.75638358  0.98732966  0.70556970
   0.74741153  0.67668694  0.97423108
   0.52281744  0.69269327  0.87572399
   0.80078235  0.81176576  0.59306937
   0.52279893  0.82050361  0.47224012
   0.94313812  0.20616689  0.09028372
   0.71250048  1.14518331  0.11735239
   0.39436246  0.07268877  0.60529384
   0.20895501  0.94844412  0.97117462
   0.27328546  0.83550961 -0.55712562
   0.27568741  1.14468034  0.06769037
   0.67708601  0.33204589  0.85675911
   0.57332730  0.63491136  0.61629915
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.736249    0.338004   -0.115873
    -0.000000   10.019653    0.108074
    -0.000000    0.000000   14.223463
   Si   O    H 
    32    64    10
Direct configuration=  3119
   0.18736557  0.21009676 -0.00704781
   0.35122957  0.09447655  0.38385737
   0.17441600  0.43647169  0.11425723
   0.42400697  0.33495365  0.25113071
   0.06362352  0.12548480  0.47545984
   0.41757981  0.13749566  0.84232208
   0.16171532  0.36360642  0.58700000
   0.37745347  0.38406556  0.73765974
   0.13574741  0.69494192 -0.00214731
   0.42732019  0.58570834  0.37071194
   0.08141199  0.93762994  0.14472716
   0.32530644  0.83220991  0.26816523
   0.16981350  0.56928533  0.48757276
   0.36527980  0.64828953  0.84605815
   0.12050517  0.85302703  0.59469257
   0.41071597  0.96108071  0.66872762
   0.64421205  0.12747682  0.99241952
   0.82137660  0.12984146  0.33499328
   0.62263322  0.39541480  0.08333509
   0.90470522  0.31350427  0.15138021
   0.61055862  0.16736659  0.47939890
   0.92660465  0.13675923  0.87698272
   0.62506173  0.42341356  0.61551319
   0.79123536  0.38254120  0.80332635
   0.58458365  0.67254572 -0.01972866
   0.90406597  0.58569637  0.35511586
   0.55283400  0.89316487  0.13495422
   0.81727839  0.84954586  0.23730999
   0.67514394  0.67714476  0.46934385
   0.85401908  0.67554611  0.89159144
   0.68570952  0.91671139  0.60623346
   0.88023680  0.89373129  0.74998372
   0.10819148  0.08745919  0.14832006
   0.39151859  0.18597674  0.28618588
   0.15915538  0.36760153  0.01284484
   0.42058100  0.42942978  0.34898071
   0.55448072  0.34324360  0.17720737
   0.30668538  0.39031511  0.17343039
   0.20163748  0.14195822  0.41268986
  -0.06718407  0.15553879  0.41277650
   0.06446745 -0.03092152  0.51727199
   0.46814589  0.25123683  0.77447470
   0.09853018  0.21783693  0.56672812
   0.35808014  0.48633861  0.82591580
   0.48743115  0.45625559  0.66940925
   0.22970778  0.34777091  0.69519331
   0.28143408  0.20368418 -0.10902302
   0.05398546  0.12565856  0.95657368
   0.14043348  0.59092507  0.08417058
   0.41138563  0.68919231  0.27576516
   0.12955873  0.84750437  0.03732487
   0.34831795  0.92655189  0.36397946
   0.40428176  0.93165357  0.18179478
   0.17052655  0.83676383  0.22181094
   0.32671417  0.62963132  0.45814970
   0.08701367  0.60212969  0.38524201
   0.26839466  0.41353617  0.50944865
   0.28046844  0.70455547  0.75114398
   0.12660340  0.72456021  0.53012683
   0.39566432  1.01048975  0.77617711
   0.53521376  0.85178591  0.66060462
   0.26391000  0.89578404  0.63223002
   0.27394678  0.67896825 -0.05917278
   0.01071438  0.68031175  0.92508694
   0.63613243  0.05993069  0.09499488
   0.82779352  0.21547442  0.23543677
   0.60025394  0.28339404  0.00291332
   0.83331925  0.44886204  0.33887370
   0.04173588  0.41409618  0.18207889
   0.78018971  0.41114958  0.10464222
   0.67355960  0.18103346  0.37500624
   0.44944814  0.13041211  0.46900657
   0.67869688  0.05206129  0.53365270
   0.91423644  0.27803441  0.82151897
   0.64157366  0.30488207  0.53897057
   0.82652415  0.53154554  0.83355920
   1.04855799  0.48682095  0.56407649
   0.73616813  0.38999503  0.69410771
   0.78316237  0.10653763  0.93744552
   0.52538502  0.08534376  0.91816018
   0.55363593  0.54442574  0.04248277
   0.89026189  0.70612509  0.27438476
   0.53781615  0.79615043  0.04678334
   0.80747415  0.96383977  0.32243406
   0.92818784  0.89692392  0.15410637
   0.68124561  0.83594005  0.18956240
   0.83292904  0.65223600  0.45920698
   0.58774320  0.60169174  0.38704597
   0.64600473  0.58814418  0.57552095
   0.81459332  0.78145897  0.81227170
   0.60557992  0.82853182  0.47989632
   0.96268827  1.00104724  0.82040556
   1.00677196  0.84120137  0.67447224
   0.75834708  0.98752388  0.70557154
   0.74757080  0.67680184  0.97395801
   0.52394358  0.69352455  0.87581282
   0.79255148  0.81372743  0.59132124
   0.45091892  0.81987344  0.46152534
   0.94243689  0.20334904  0.08902242
   0.70000143  1.12236072  0.12250117
   0.39477127  0.07698385  0.61016377
   0.23491443  0.98984097  0.95234255
   0.29610561  0.85333591 -0.56005424
   0.27608591  1.13737934  0.06421454
   0.68067534  0.33394369  0.86186233
   0.57702678  0.63834576  0.61473352
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.741152    0.337609   -0.115256
    -0.000000   10.020502    0.110553
    -0.000000    0.000000   14.225011
   Si   O    H 
    32    64    10
Direct configuration=  3120
   0.18670237  0.20937274 -0.00780025
   0.35062156  0.09501330  0.38356748
   0.17527088  0.43527987  0.11363826
   0.42475926  0.33492371  0.25086409
   0.06387036  0.12473195  0.47569946
   0.41890919  0.13798619  0.84254883
   0.16193326  0.36316344  0.58715130
   0.37896261  0.38351212  0.73831010
   0.13588620  0.69478075 -0.00169892
   0.42485149  0.58637191  0.37045159
   0.08204298  0.93721921  0.14562736
   0.32552522  0.83420284  0.26831160
   0.17082918  0.56749217  0.48713408
   0.36566924  0.64721537  0.84558504
   0.12152381  0.85277986  0.59407896
   0.41092442  0.96031089  0.66849308
   0.64311029  0.12750805  0.99276122
   0.82161594  0.12903911  0.33513761
   0.62247121  0.39561313  0.08211665
   0.90535472  0.31434926  0.15129168
   0.61090350  0.16735986  0.47959139
   0.92822431  0.13677373  0.87738274
   0.62501673  0.42397099  0.61607792
   0.79240182  0.38388494  0.80236910
   0.58562721  0.67155427 -0.01979437
   0.90304631  0.58510174  0.35627464
   0.55316620  0.89198511  0.13479982
   0.81775018  0.85016179  0.23711067
   0.67598117  0.67684208  0.46966836
   0.85334657  0.67400553  0.89115199
   0.68674798  0.91579510  0.60584481
   0.88160670  0.89394648  0.75008161
   0.10737604  0.08764045  0.14755753
   0.38902084  0.18564905  0.28605252
   0.15909753  0.36640158  0.01341058
   0.41911036  0.42968859  0.34755304
   0.55131272  0.34193578  0.17709326
   0.30729586  0.38981573  0.17185841
   0.19994614  0.14345844  0.41340125
  -0.06820156  0.15454094  0.41136189
   0.06548970 -0.03146059  0.51712746
   0.46945870  0.25347751  0.77488866
   0.09657688  0.21691285  0.56634057
   0.35825765  0.48751116  0.82670563
   0.48642834  0.45577947  0.66857432
   0.22985142  0.34781254  0.69561777
   0.28220366  0.20439183 -0.10799559
   0.05193436  0.12513250  0.95701946
   0.13892952  0.58994279  0.08504648
   0.41000338  0.69073319  0.27643900
   0.12896976  0.84539892  0.03828993
   0.34918129  0.92687870  0.36406985
   0.40397124  0.93074126  0.18208070
   0.17052618  0.83730283  0.22224235
   0.32904281  0.62961304  0.45816645
   0.08816856  0.60242840  0.38590993
   0.26817125  0.41331634  0.50910916
   0.27941492  0.70303521  0.75204813
   0.12605269  0.72529180  0.52797914
   0.39386253  1.00907540  0.77644618
   0.53707440  0.85026229  0.66058787
   0.26387882  0.89684366  0.63193675
   0.27212463  0.68008377 -0.06098204
   0.00858805  0.68084042  0.92412060
   0.63380771  0.06028808  0.09459090
   0.82888474  0.21507817  0.23524351
   0.60269402  0.28463646  0.00249462
   0.83363537  0.45042358  0.33904669
   0.04142218  0.41439750  0.18188403
   0.78186210  0.41224028  0.10455023
   0.67584253  0.18045523  0.37616839
   0.44793125  0.13120203  0.46947948
   0.67958212  0.05122774  0.53450393
   0.91382703  0.27924528  0.82059097
   0.64143849  0.30559898  0.53970637
   0.82604301  0.53221650  0.83278148
   1.05074969  0.48650553  0.56327081
   0.73586197  0.39002220  0.69528496
   0.78209043  0.10677973  0.93710097
   0.52501652  0.08559760  0.91975059
   0.55454104  0.54296783  0.04214827
   0.89035712  0.70712243  0.27450947
   0.54037158  0.79700784  0.04653042
   0.80750659  0.96381994  0.32145044
   0.92671978  0.89438976  0.15522043
   0.67987271  0.83727907  0.18977466
   0.83256651  0.65160728  0.45881297
   0.58632053  0.60176962  0.38795505
   0.64494551  0.58840912  0.57636709
   0.81654591  0.78193864  0.81291277
   0.60975897  0.82975042  0.48017865
   0.96347156  1.00164309  0.82014771
   1.00602211  0.84241842  0.67622323
   0.76028097  0.98715970  0.70591146
   0.74706661  0.67683979  0.97312323
   0.52542711  0.69414505  0.87581512
   0.78319061  0.81222100  0.58863024
   0.40192071  0.81937504  0.45843867
   0.93948545  0.20406413  0.08547100
   0.69769102  1.10769545  0.13413039
   0.40185376  0.08528796  0.61471634
   0.25583684  1.02873943  0.93876148
   0.31805358  0.87351574 -0.56604524
   0.27853100  1.12991675  0.05835144
   0.67850975  0.33384423  0.86532845
   0.58291817  0.63540515  0.61052777
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.745745    0.337812   -0.114203
    -0.000000   10.021173    0.112983
    -0.000000    0.000000   14.226435
   Si   O    H 
    32    64    10
Direct configuration=  3121
   0.18648476  0.20862185 -0.00879280
   0.35004077  0.09634709  0.38314677
   0.17613377  0.43465645  0.11355236
   0.42556576  0.33495072  0.25057687
   0.06408654  0.12334321  0.47622633
   0.41965804  0.13798926  0.84228430
   0.16126645  0.36327563  0.58766605
   0.38056910  0.38334632  0.73861786
   0.13600219  0.69562939 -0.00086715
   0.42303321  0.58702804  0.37026807
   0.08295980  0.93598482  0.14652460
   0.32548836  0.83545388  0.26800428
   0.17090153  0.56572097  0.48669793
   0.36552673  0.64600722  0.84487452
   0.12218237  0.85269672  0.59320585
   0.41074445  0.95982103  0.66821079
   0.64108500  0.12767919  0.99263665
   0.82108020  0.12764679  0.33504006
   0.62197367  0.39640284  0.08108920
   0.90592934  0.31503445  0.15149024
   0.61124978  0.16719248  0.47963695
   0.92955433  0.13613263  0.87751975
   0.62427876  0.42437679  0.61677049
   0.79291026  0.38506024  0.80125336
   0.58710550  0.67111836 -0.02027843
   0.90238796  0.58475757  0.35780778
   0.55281134  0.89121166  0.13456701
   0.81896321  0.85060356  0.23687925
   0.67649251  0.67716541  0.46979830
   0.85257675  0.67218636  0.89063719
   0.68778683  0.91541545  0.60555827
   0.88329185  0.89471118  0.75002799
   0.10720006  0.08747228  0.14691341
   0.38686479  0.18474299  0.28580068
   0.15938584  0.36439193  0.01347814
   0.41727322  0.43005787  0.34607725
   0.54899028  0.34142530  0.17717208
   0.30783853  0.38950445  0.17076996
   0.19853448  0.14429939  0.41331907
  -0.06783152  0.15366138  0.41029827
   0.06649610 -0.03083602  0.51676737
   0.47059699  0.25570398  0.77517996
   0.09451881  0.21640766  0.56551316
   0.35775620  0.48851416  0.82741979
   0.48579750  0.45536953  0.66774367
   0.23055724  0.34751020  0.69594980
   0.28263387  0.20556620 -0.10686414
   0.04991745  0.12443580  0.95728120
   0.13693789  0.58880362  0.08635619
   0.40804759  0.69241099  0.27764865
   0.12833780  0.84408609  0.03945908
   0.35043584  0.92776768  0.36355851
   0.40476097  0.92879425  0.18259750
   0.17050610  0.83829064  0.22317238
   0.33148081  0.62974476  0.45843847
   0.08835610  0.60282488  0.38721553
   0.26816592  0.41340237  0.50858740
   0.27946529  0.70185155  0.75301605
   0.12562361  0.72593656  0.52630847
   0.39289871  1.00776676  0.77663983
   0.53850067  0.84920296  0.66012323
   0.26435068  0.89785514  0.63172549
   0.27037289  0.68098600 -0.06280960
   0.00655111  0.68094778  0.92325789
   0.63183688  0.06020425  0.09492473
   0.83010574  0.21405517  0.23556351
   0.60438729  0.28563658  0.00226119
   0.83401787  0.45150620  0.33933582
   0.03940209  0.41459503  0.18188043
   0.78375853  0.41339297  0.10459006
   0.67888871  0.17966853  0.37790053
   0.44758141  0.13150948  0.47002833
   0.68073434  0.04926920  0.53610939
   0.91309600  0.28046293  0.81989797
   0.64099605  0.30576045  0.54046269
   0.82633767  0.53289178  0.83255425
   1.05239512  0.48654823  0.56247494
   0.73599604  0.38952853  0.69649939
   0.78157059  0.10717128  0.93660153
   0.52451329  0.08446385  0.92142489
   0.55483130  0.54078658  0.04231417
   0.89013124  0.70849308  0.27487038
   0.54229285  0.79808509  0.04620028
   0.80778169  0.96422044  0.32017774
   0.92594494  0.89202630  0.15644884
   0.67758739  0.83825905  0.18999469
   0.83308402  0.65027602  0.45858577
   0.58599404  0.60284706  0.38888449
   0.64469867  0.58746962  0.57656107
   0.81850448  0.78205917  0.81251783
   0.61431225  0.83016803  0.48080058
   0.96430183  1.00149860  0.82018471
   1.00459884  0.84332683  0.67821113
   0.76224361  0.98573696  0.70575010
   0.74650971  0.67710773  0.97235566
   0.52723690  0.69485144  0.87532930
   0.77806738  0.80635892  0.58369989
   0.35730091  0.81471579  0.46176287
   0.93965748  0.20716272  0.08283996
   0.69849328  1.09676152  0.15028560
   0.41055075  0.09397902  0.61916226
   0.27474342  1.06737370  0.92770098
   0.34077277  0.88924706 -0.57036822
   0.28288282  1.11705369  0.05211986
   0.67779057  0.33810398  0.86547167
   0.57343132  0.64594612  0.61544669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.750264    0.338021   -0.112862
    -0.000000   10.022023    0.115422
    -0.000000    0.000000   14.227790
   Si   O    H 
    32    64    10
Direct configuration=  3122
   0.18686038  0.20793307 -0.00935745
   0.34934781  0.09839488  0.38224136
   0.17634764  0.43455810  0.11374862
   0.42589063  0.33469031  0.25035953
   0.06475249  0.12111092  0.47721821
   0.42074290  0.13805537  0.84212939
   0.16051702  0.36349115  0.58831290
   0.38170389  0.38311548  0.73891027
   0.13644835  0.69652525  0.00006631
   0.42190156  0.58733590  0.36999505
   0.08473121  0.93492734  0.14705922
   0.32634987  0.83609855  0.26759177
   0.17078802  0.56419339  0.48652560
   0.36537173  0.64513960  0.84399006
   0.12175214  0.85286562  0.59260203
   0.41013921  0.95950754  0.66790086
   0.63909812  0.12832532  0.99235750
   0.82035097  0.12618487  0.33470943
   0.62104139  0.39713613  0.08029160
   0.90624357  0.31520797  0.15190138
   0.61211345  0.16743945  0.47996606
   0.93041804  0.13575050  0.87726547
   0.62324556  0.42436083  0.61704893
   0.79314042  0.38689087  0.80066397
   0.58806937  0.67098693 -0.02047053
   0.90220165  0.58475194  0.35922039
   0.55217975  0.89112305  0.13449430
   0.81944301  0.85084624  0.23698094
   0.67738122  0.67716064  0.46989205
   0.85221536  0.66969811  0.88963064
   0.68849855  0.91498606  0.60551672
   0.88599766  0.89533055  0.74998968
   0.10709418  0.08800955  0.14563588
   0.38537248  0.18363802  0.28574723
   0.15961120  0.36252731  0.01376697
   0.41565973  0.43022850  0.34466705
   0.54738318  0.34167973  0.17653373
   0.30846309  0.38856919  0.17029256
   0.19778156  0.14493657  0.41353579
  -0.06668107  0.15316928  0.40961451
   0.06693941 -0.02906575  0.51678216
   0.47156762  0.25783167  0.77544036
   0.09282689  0.21659131  0.56460050
   0.35753316  0.48848385  0.82848507
   0.48451597  0.45470290  0.66773113
   0.23084491  0.34771653  0.69599520
   0.28343714  0.20592170 -0.10550049
   0.04901643  0.12404137  0.95786895
   0.13502721  0.58808345  0.08772869
   0.40550565  0.69358050  0.27900617
   0.12729487  0.84338297  0.04013334
   0.35127670  0.92951573  0.36246312
   0.40538518  0.92699193  0.18343270
   0.17076645  0.83927565  0.22399888
   0.33415868  0.62977844  0.45848176
   0.08820313  0.60210284  0.38803937
   0.26851546  0.41341741  0.50819283
   0.27911569  0.70186598  0.75382179
   0.12460518  0.72623568  0.52522491
   0.39107713  1.00620795  0.77752633
   0.53973044  0.84843272  0.65885979
   0.26514408  0.89972989  0.63150613
   0.26921209  0.68252693 -0.06405184
   0.00445624  0.68121015  0.92326852
   0.63101664  0.05896450  0.09600533
   0.83104687  0.21370369  0.23487877
   0.60491226  0.28656381  0.00164898
   0.83416837  0.45162268  0.33907492
   0.03632263  0.41361068  0.18199986
   0.78566786  0.41390434  0.10494795
   0.68168116  0.17985100  0.37899320
   0.44769278  0.13206078  0.46956088
   0.68268672  0.04695643  0.53798102
   0.91248703  0.28075704  0.81948508
   0.64037695  0.30589997  0.54058480
   0.82679163  0.53425741  0.83271621
   1.05430593  0.48653900  0.56159035
   0.73623430  0.38956984  0.69714107
   0.78177045  0.10784608  0.93644189
   0.52326956  0.08257945  0.92261341
   0.55492010  0.53890015  0.04277583
   0.88976293  0.70968794  0.27472414
   0.54282860  0.79908945  0.04617358
   0.80795446  0.96529160  0.31937893
   0.92512319  0.88970944  0.15747352
   0.67548643  0.83970365  0.19085722
   0.83400961  0.64855646  0.45826545
   0.58468955  0.60347679  0.38953082
   0.64462616  0.58650654  0.57690584
   0.81955279  0.78244406  0.81201176
   0.61885755  0.83031164  0.48116828
   0.96484755  1.00208614  0.81982316
   1.00370196  0.84464391  0.67959332
   0.76356322  0.98433684  0.70510151
   0.74562070  0.67672761  0.97187553
   0.52912812  0.69545674  0.87504178
   0.77968626  0.79774512  0.58053582
   0.31561831  0.79978303  0.47110815
   0.94076557  0.21667902  0.08088657
   0.69366414  1.08194938  0.16141245
   0.42196091  0.09663523  0.62343805
   0.29183370  1.10132208  0.91567871
   0.36091998  0.89939096 -0.56881430
   0.28282234  1.10638478  0.04547539
   0.68478144  0.34863427  0.86302574
   0.57116530  0.65207097  0.61686648
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754807    0.338300   -0.111564
    -0.000000   10.022948    0.117173
    -0.000000    0.000000   14.228750
   Si   O    H 
    32    64    10
Direct configuration=  3123
   0.18688144  0.20718703 -0.00900752
   0.34894424  0.10041812  0.38114734
   0.17661536  0.43508961  0.11385226
   0.42630839  0.33532268  0.25040918
   0.06529959  0.11871659  0.47816984
   0.42214941  0.13749946  0.84181194
   0.16030182  0.36388529  0.58907839
   0.38227560  0.38308135  0.73905056
   0.13671644  0.69787302  0.00055835
   0.42105868  0.58795210  0.36939740
   0.08619745  0.93374142  0.14715953
   0.32713546  0.83694606  0.26667025
   0.17073791  0.56217182  0.48639851
   0.36369216  0.64447958  0.84336069
   0.12127817  0.85307272  0.59188056
   0.40919043  0.96025945  0.66755586
   0.63767855  0.12916324  0.99194415
   0.81970124  0.12503689  0.33379651
   0.62019019  0.39822884  0.07964318
   0.90666107  0.31558370  0.15188903
   0.61308660  0.16776555  0.48061856
   0.93085509  0.13484141  0.87706070
   0.62217894  0.42448078  0.61741822
   0.79392370  0.38797073  0.80050507
   0.58899691  0.67065424 -0.02047439
   0.90291751  0.58501958  0.36055556
   0.55122566  0.89114093  0.13432617
   0.82093127  0.85150387  0.23721963
   0.67806599  0.67736584  0.47013275
   0.85193760  0.66692312  0.88837687
   0.68901839  0.91446474  0.60541958
   0.88924132  0.89585895  0.75022455
   0.10650510  0.08905177  0.14474910
   0.38423845  0.18301485  0.28614021
   0.16045389  0.36125503  0.01459551
   0.41499645  0.43005807  0.34334005
   0.54585359  0.34202650  0.17606549
   0.30931865  0.38779158  0.17011472
   0.19764747  0.14508481  0.41382471
  -0.06470708  0.15139103  0.40900361
   0.06778337 -0.02794185  0.51780386
   0.47204470  0.26004106  0.77576010
   0.09103221  0.21692943  0.56381215
   0.35725907  0.48712614  0.82965772
   0.48379894  0.45295558  0.66809184
   0.23195876  0.34851933  0.69587613
   0.28395361  0.20676923 -0.10502532
   0.04870709  0.12417972  0.95850271
   0.13283209  0.58758580  0.08907852
   0.40339632  0.69470193  0.27981885
   0.12660738  0.84357894  0.04144652
   0.35231807  0.93194552  0.36137334
   0.40624094  0.92520512  0.18427913
   0.17144504  0.83948006  0.22512705
   0.33674958  0.62954757  0.45807309
   0.08845356  0.60107651  0.38875217
   0.26790644  0.41336944  0.50804457
   0.27978136  0.70235371  0.75394582
   0.12413416  0.72713993  0.52485399
   0.38942225  1.00543017  0.77882310
   0.54099443  0.84762067  0.65726879
   0.26661261  0.90124555  0.63097885
   0.26843057  0.68401000 -0.06494264
   0.00226607  0.68189673  0.92313836
   0.63058019  0.05802361  0.09780913
   0.83112328  0.21380344  0.23410924
   0.60438346  0.28775716  0.00123822
   0.83466069  0.45123207  0.33906349
   0.03276499  0.41217215  0.18209231
   0.78704090  0.41440363  0.10507720
   0.68393753  0.17991149  0.38021621
   0.44819946  0.13275310  0.46842367
   0.68407408  0.04486534  0.53955691
   0.91282576  0.28109150  0.81897783
   0.63986428  0.30589930  0.54095945
   0.82745651  0.53546303  0.83260378
   1.05598419  0.48630378  0.56092248
   0.73663473  0.38931953  0.69721494
   0.78190875  0.10839988  0.93572985
   0.52181361  0.07971792  0.92313559
   0.55481894  0.53669304  0.04330670
   0.88920750  0.71018448  0.27459696
   0.54341144  0.79997932  0.04577850
   0.80810708  0.96656005  0.31878006
   0.92465531  0.88708914  0.15861091
   0.67361873  0.84081940  0.19226426
   0.83588172  0.64625953  0.45747376
   0.58384595  0.60507398  0.39037799
   0.64394318  0.58584818  0.57722779
   0.82012293  0.78333372  0.81095526
   0.62276809  0.83008834  0.48130606
   0.96596534  1.00289904  0.81953144
   1.00256818  0.84532901  0.68088020
   0.76475147  0.98254580  0.70381328
   0.74564706  0.67641908  0.97163549
   0.53059946  0.69528327  0.87423393
   0.78327606  0.79566302  0.58005399
   0.27869073  0.77763453  0.48186182
   0.94511436  0.22864388  0.07945517
   0.68183973  1.07010643  0.16486138
   0.43351335  0.09583772  0.62699383
   0.30179061  1.12625833  0.90596876
   0.38213527  0.90249704 -0.56509287
   0.27997226  1.10230307  0.03824178
   0.68887716  0.35900290  0.86033782
   0.58131140  0.65139394  0.61309639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.759489    0.337614   -0.110384
    -0.000000   10.023475    0.118789
    -0.000000    0.000000   14.229715
   Si   O    H 
    32    64    10
Direct configuration=  3124
   0.18633710  0.20680545 -0.00810164
   0.34813434  0.10323832  0.38047812
   0.17638424  0.43533520  0.11410760
   0.42582771  0.33591209  0.25082548
   0.06565888  0.11638322  0.47931968
   0.42369233  0.13700150  0.84084143
   0.16020917  0.36403230  0.59006740
   0.38325613  0.38342689  0.73890102
   0.13665155  0.69903055  0.00107629
   0.42062655  0.58844067  0.36838429
   0.08741526  0.93208441  0.14671098
   0.32738136  0.83801207  0.26547205
   0.16958187  0.55978635  0.48681587
   0.36160750  0.64412010  0.84268232
   0.12047083  0.85311271  0.59110428
   0.40861301  0.96043432  0.66744895
   0.63726802  0.13048325  0.99145904
   0.81893904  0.12521289  0.33259048
   0.61984286  0.39932784  0.07985824
   0.90693332  0.31612770  0.15205747
   0.61447961  0.16738932  0.48143960
   0.93153721  0.13490603  0.87689983
   0.62168313  0.42460925  0.61759185
   0.79464101  0.38868142  0.80073155
   0.59005704  0.67050707 -0.02025941
   0.90421701  0.58517236  0.36132790
   0.55025787  0.89149385  0.13374656
   0.82312694  0.85096092  0.23776811
   0.67823921  0.67816386  0.46975905
   0.85196363  0.66490337  0.88699434
   0.68985201  0.91404353  0.60570107
   0.89220000  0.89625947  0.75064862
   0.10707422  0.08990287  0.14423288
   0.38383158  0.18290575  0.28652974
   0.16037894  0.35931850  0.01416290
   0.41407279  0.43064847  0.34167895
   0.54475577  0.34287970  0.17480761
   0.31086128  0.38673875  0.17019610
   0.19778481  0.14436087  0.41391404
  -0.06248002  0.14978534  0.40834577
   0.06937320 -0.02742358  0.51914841
   0.47240683  0.26097199  0.77645531
   0.08932808  0.21702708  0.56330745
   0.35691640  0.48548277  0.83084876
   0.48246227  0.45176288  0.66796021
   0.23311331  0.34945588  0.69591071
   0.28471158  0.20951242 -0.10511876
   0.04850840  0.12426644  0.95941923
   0.13056704  0.58748725  0.09000179
   0.40064744  0.69595753  0.28020934
   0.12488684  0.84391525  0.04353636
   0.35404741  0.93395562  0.36126167
   0.40672870  0.92345588  0.18541213
   0.17163011  0.83928147  0.22651209
   0.33880283  0.62982476  0.45780453
   0.08705632  0.59972104  0.38935299
   0.26719069  0.41351616  0.50769120
   0.27939531  0.70239640  0.75377201
   0.12393979  0.72784071  0.52426467
   0.38783163  1.00497297  0.77996101
   0.54171341  0.84711310  0.65548842
   0.26868737  0.90266869  0.62977905
   0.26823720  0.68549620 -0.06582352
   0.00134047  0.68285003  0.92339026
   0.62938713  0.05656730  0.10011275
   0.83120900  0.21348689  0.23401123
   0.60396809  0.28937077  0.00136502
   0.83433960  0.45068754  0.33921049
   0.02909534  0.41076044  0.18266050
   0.78744267  0.41559291  0.10503560
   0.68523785  0.18056035  0.38140239
   0.44825789  0.13354766  0.46745538
   0.68479119  0.04308344  0.54039290
   0.91339882  0.28093287  0.81889355
   0.63980600  0.30620148  0.54097755
   0.82775342  0.53600956  0.83252924
   1.05745256  0.48632435  0.56042021
   0.73722536  0.38818201  0.69696444
   0.78219588  0.10907567  0.93462173
   0.51982711  0.07738529  0.92426665
   0.55453765  0.53471569  0.04406078
   0.88914988  0.70983405  0.27513692
   0.54328622  0.80121257  0.04481567
   0.80902822  0.96778776  0.31814517
   0.92469838  0.88464104  0.15939839
   0.67264501  0.84246377  0.19388792
   0.83854789  0.64410281  0.45672130
   0.58230626  0.60628695  0.39165070
   0.64269097  0.58596648  0.57819686
   0.82048126  0.78434033  0.80954061
   0.62624341  0.82935403  0.48112819
   0.96720594  1.00356926  0.81883408
   1.00264639  0.84594746  0.68131509
   0.76529393  0.98097742  0.70271036
   0.74558830  0.67591102  0.97152904
   0.53222592  0.69406442  0.87344176
   0.78996750  0.79770972  0.58318345
   0.24096745  0.75353727  0.49365370
   0.94845679  0.23907806  0.07595719
   0.67320538  1.06277176  0.16084358
   0.44238835  0.09295704  0.63182936
   0.30866239  1.10075241  0.91016736
   0.39868674  0.90316440 -0.56519885
   0.27541108  1.10218610  0.03291432
   0.68526374  0.36610374  0.85952967
   0.59169666  0.64844158  0.60894279
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.763873    0.336148   -0.109491
    -0.000000   10.023637    0.119892
    -0.000000    0.000000   14.230541
   Si   O    H 
    32    64    10
Direct configuration=  3125
   0.18624902  0.20571238 -0.00740907
   0.34667549  0.10620233  0.37961621
   0.17592813  0.43554418  0.11481198
   0.42553872  0.33645367  0.25132591
   0.06620702  0.11506772  0.48005131
   0.42577066  0.13591120  0.83959957
   0.16038485  0.36404701  0.59115556
   0.38402607  0.38339912  0.73892583
   0.13627124  0.70023522  0.00112852
   0.42100213  0.58866718  0.36728480
   0.08938558  0.93055786  0.14620083
   0.32718674  0.83878751  0.26392248
   0.16850468  0.55709719  0.48709701
   0.35916554  0.64357379  0.84205075
   0.11944277  0.85310426  0.59102036
   0.40836176  0.95976797  0.66744356
   0.63736084  0.13172182  0.99082336
   0.81851821  0.12557982  0.33181030
   0.61989452  0.40018217  0.08060414
   0.90652481  0.31641382  0.15279684
   0.61577160  0.16757160  0.48274123
   0.93168247  0.13487616  0.87690561
   0.62162005  0.42398193  0.61713565
   0.79482803  0.38892682  0.80130002
   0.59048914  0.67069065 -0.01950400
   0.90574418  0.58565274  0.36207255
   0.54904191  0.89219979  0.13267298
   0.82520801  0.85014997  0.23798223
   0.67835530  0.67834360  0.46967273
   0.85210400  0.66319411  0.88618628
   0.69012989  0.91342916  0.60591432
   0.89520583  0.89682576  0.75144995
   0.10802864  0.09132492  0.14397164
   0.38373813  0.18299065  0.28702845
   0.16073402  0.35741845  0.01374221
   0.41293023  0.43197765  0.34060703
   0.54481787  0.34432754  0.17337267
   0.31269777  0.38534643  0.17033797
   0.19837041  0.14365704  0.41427081
  -0.06008091  0.14846834  0.40758527
   0.07143132 -0.02788350  0.51967253
   0.47260864  0.26151206  0.77715584
   0.08862512  0.21755919  0.56382561
   0.35714707  0.48358054  0.83152183
   0.48106662  0.45162047  0.66782631
   0.23427576  0.35038456  0.69538637
   0.28566445  0.21024529 -0.10544086
   0.04904966  0.12494670  0.96056373
   0.12810554  0.58906972  0.09008369
   0.39745580  0.69732101  0.28096459
   0.12351687  0.84462703  0.04583923
   0.35514822  0.93633758  0.36150163
   0.40714414  0.92217316  0.18679991
   0.17153602  0.83935658  0.22823465
   0.33979687  0.63015823  0.45767643
   0.08549107  0.59856400  0.38956644
   0.26738526  0.41396120  0.50755679
   0.27948275  0.70330356  0.75384991
   0.12549131  0.72813631  0.52393327
   0.38712250  1.00437099  0.78050502
   0.54246788  0.84770048  0.65371837
   0.26977370  0.90413893  0.62864044
   0.26794349  0.68686016 -0.06661777
   0.00122843  0.68380061  0.92437415
   0.62800410  0.05490346  0.10210019
   0.83173203  0.21261950  0.23369259
   0.60421878  0.29048300  0.00164144
   0.83371156  0.44972341  0.33924455
   0.02672009  0.40875414  0.18288079
   0.78699552  0.41621182  0.10434856
   0.68571922  0.18168807  0.38209050
   0.44861268  0.13371555  0.46660875
   0.68510749  0.04119913  0.54132508
   0.91444117  0.27948568  0.81897880
   0.63918363  0.30715908  0.54087188
   0.82808973  0.53601514  0.83261402
   1.05777868  0.48658676  0.55973970
   0.73674279  0.38641515  0.69612083
   0.78221898  0.11005786  0.93346835
   0.51793596  0.07622477  0.92510443
   0.55447467  0.53410550  0.04397911
   0.88887225  0.70787826  0.27545584
   0.54360996  0.80207486  0.04343449
   0.81014196  0.96902358  0.31711429
   0.92428035  0.88364545  0.15966285
   0.67136919  0.84413223  0.19536309
   0.84072586  0.64311202  0.45614039
   0.58083678  0.60752183  0.39294259
   0.64204700  0.58533589  0.57809010
   0.82002675  0.78433876  0.80871976
   0.62981024  0.82880892  0.48096142
   0.96828695  1.00441806  0.81788521
   1.00427559  0.84675526  0.68126779
   0.76563934  0.97874973  0.70170598
   0.74623940  0.67570946  0.97145479
   0.53321243  0.69291092  0.87282777
   0.79543167  0.80417222  0.58862585
   0.19954649  0.72881275  0.50470234
   0.95310901  0.24452202  0.07140372
   0.67010850  1.05888484  0.16184688
   0.44857669  0.09180007  0.63442737
   0.30020490  1.09064446  0.91661016
   0.41481575  0.90152439 -0.57230488
   0.27279799  1.10223425  0.03338644
   0.67663574  0.36951181  0.86205224
   0.58780580  0.65913339  0.61485125
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.768479    0.334122   -0.108575
    -0.000000   10.023695    0.121162
    -0.000000    0.000000   14.231311
   Si   O    H 
    32    64    10
Direct configuration=  3126
   0.18584515  0.20466194 -0.00644192
   0.34492721  0.10915750  0.37930416
   0.17556238  0.43543425  0.11552732
   0.42528252  0.33692905  0.25135193
   0.06727859  0.11448425  0.48068965
   0.42744046  0.13497108  0.83816412
   0.16039490  0.36445078  0.59257600
   0.38459333  0.38394954  0.73932586
   0.13611218  0.70084973  0.00079702
   0.42113817  0.58977638  0.36616735
   0.09149997  0.92957366  0.14558846
   0.32710808  0.83912064  0.26236783
   0.16770228  0.55428867  0.48697782
   0.35724633  0.64374504  0.84150048
   0.11795516  0.85356145  0.59171084
   0.40872231  0.95975580  0.66780793
   0.63799381  0.13300164  0.99022563
   0.81845707  0.12641346  0.33094602
   0.62003975  0.40081908  0.08154231
   0.90567742  0.31622153  0.15340404
   0.61785304  0.16785045  0.48417953
   0.93155628  0.13526972  0.87729928
   0.62183180  0.42315010  0.61679804
   0.79487982  0.38931193  0.80156045
   0.59082904  0.67083941 -0.01903603
   0.90717672  0.58618921  0.36261280
   0.54727821  0.89321079  0.13155356
   0.82732573  0.84863485  0.23838980
   0.67846604  0.67839257  0.46958258
   0.85227573  0.66254710  0.88543720
   0.69027930  0.91268015  0.60625336
   0.89709521  0.89750360  0.75239928
   0.10895378  0.09267262  0.14375002
   0.38389899  0.18300463  0.28702849
   0.16132742  0.35532381  0.01354274
   0.41228148  0.43350704  0.33994742
   0.54520671  0.34450269  0.17217117
   0.31427053  0.38424546  0.17076588
   0.19895281  0.14264297  0.41411225
  -0.05739082  0.14712574  0.40708166
   0.07266092 -0.02970441  0.52021068
   0.47288837  0.26162701  0.77783512
   0.08849768  0.21843914  0.56502537
   0.35790765  0.48047049  0.83188518
   0.48045998  0.45126809  0.66704335
   0.23565296  0.35136961  0.69452523
   0.28722964  0.20836076 -0.10606929
   0.04989602  0.12586819  0.96122545
   0.12605559  0.59075867  0.09010533
   0.39485729  0.69862100  0.28151652
   0.12259489  0.84557529  0.04754625
   0.35631432  0.93791187  0.36215074
   0.40800443  0.92150213  0.18846084
   0.17201968  0.83968198  0.22987747
   0.33976040  0.63082964  0.45712994
   0.08317223  0.59787064  0.39008804
   0.26690151  0.41483059  0.50708679
   0.27971387  0.70392172  0.75341199
   0.12294298  0.72780867  0.52459929
   0.38650284  1.00453844  0.78055843
   0.54325904  0.84959200  0.65206611
   0.27043080  0.90470652  0.62789421
   0.26753068  0.68762079 -0.06719121
   0.00258020  0.68444518  0.92585406
   0.62615356  0.05334389  0.10278600
   0.83199565  0.21133923  0.23297717
   0.60553491  0.29153764  0.00148162
   0.83283534  0.44942825  0.33933014
   0.02659435  0.40701241  0.18308813
   0.78601798  0.41627568  0.10359053
   0.68598966  0.18222142  0.38247358
   0.44901062  0.13492796  0.46556983
   0.68427788  0.04071248  0.54209591
   0.91593534  0.27776434  0.81928926
   0.63719654  0.30848849  0.54056941
   0.82884350  0.53605146  0.83306748
   1.05737125  0.48730446  0.55943480
   0.73647558  0.38521126  0.69478985
   0.78175214  0.11088758  0.93266912
   0.51684781  0.07514300  0.92576601
   0.55383508  0.53446319  0.04320646
   0.88968907  0.70560949  0.27659428
   0.54377202  0.80274765  0.04195392
   0.81034375  0.96945205  0.31568646
   0.92565828  0.88284842  0.15949126
   0.67047674  0.84508823  0.19702758
   0.84224298  0.64249973  0.45637385
   0.57941930  0.60898238  0.39461060
   0.64201257  0.58461064  0.57752257
   0.82025555  0.78463116  0.80831424
   0.63148628  0.82883074  0.48089257
   0.96906620  1.00559720  0.81712438
   1.00619110  0.84710169  0.68070854
   0.76545509  0.97623015  0.70025032
   0.74807341  0.67573018  0.97175186
   0.53354813  0.69137535  0.87171210
   0.79841545  0.80987323  0.59426326
   0.23697166  0.71161948  0.49504501
   0.95754594  0.24695866  0.06661512
   0.68041213  1.06039466  0.16865331
   0.45611028  0.09430037  0.63745080
   0.28374400  1.09526174  0.92165255
   0.42574703  0.90169888 -0.58588301
   0.27551261  1.10417854  0.03606013
   0.66832775  0.36656977  0.86407831
   0.58801250  0.66656222  0.61715089
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772846    0.331512   -0.108125
    -0.000000   10.024235    0.121935
    -0.000000    0.000000   14.231917
   Si   O    H 
    32    64    10
Direct configuration=  3127
   0.18569398  0.20349369 -0.00537685
   0.34359318  0.11228040  0.37863420
   0.17477380  0.43560873  0.11617248
   0.42508223  0.33692762  0.25113786
   0.06913387  0.11437262  0.48099676
   0.42890113  0.13410736  0.83701670
   0.16111071  0.36502536  0.59341984
   0.38576786  0.38426632  0.73952996
   0.13592139  0.70134724  0.00037105
   0.42133448  0.59077909  0.36514173
   0.09327263  0.92914879  0.14464875
   0.32677490  0.83934514  0.26110871
   0.16641599  0.55098554  0.48705879
   0.35538912  0.64440634  0.84085229
   0.11671816  0.85458577  0.59253910
   0.40968480  0.95996143  0.66817367
   0.63880259  0.13383423  0.98921525
   0.81864516  0.12755533  0.33029358
   0.62125376  0.40047159  0.08284244
   0.90456330  0.31563173  0.15401217
   0.61959085  0.16861147  0.48543695
   0.93083548  0.13534713  0.87779257
   0.62191703  0.42247533  0.61678891
   0.79405202  0.38992437  0.80227306
   0.59119438  0.67063925 -0.01847472
   0.90885429  0.58636541  0.36249247
   0.54550658  0.89386907  0.13086176
   0.82881591  0.84703443  0.23845594
   0.67894459  0.67803605  0.46938099
   0.85300514  0.66259388  0.88504738
   0.68997064  0.91195795  0.60698619
   0.89828229  0.89815586  0.75340738
   0.11013392  0.09368905  0.14353951
   0.38430398  0.18371319  0.28676502
   0.16272268  0.35392724  0.01325091
   0.41144066  0.43488781  0.34000829
   0.54517014  0.34499489  0.17108782
   0.31563393  0.38275260  0.17125684
   0.19869048  0.14197744  0.41392377
  -0.05506449  0.14564118  0.40686794
   0.07388068 -0.03178969  0.52029657
   0.47373654  0.26180077  0.77815634
   0.08858110  0.22007865  0.56609521
   0.35868652  0.47723045  0.83267603
   0.48063180  0.45156577  0.66658512
   0.23657902  0.35158152  0.69369821
   0.28852746  0.20562584 -0.10701162
   0.05052652  0.12711736  0.96169040
   0.12409260  0.59241610  0.08982831
   0.39365469  0.69931286  0.28275062
   0.12252908  0.84638525  0.04971523
   0.35746661  0.93961152  0.36302429
   0.40924636  0.92129006  0.18952242
   0.17197489  0.83979300  0.23194332
   0.33819750  0.63180651  0.45769280
   0.08059866  0.59672983  0.39074289
   0.26676601  0.41570636  0.50694137
   0.27946847  0.70511743  0.75298996
   0.12220600  0.72720724  0.52464407
   0.38590048  1.00475270  0.78039824
   0.54429110  0.85152218  0.65033302
   0.27067285  0.90475253  0.62666494
   0.26737713  0.68851103 -0.06781033
   0.00486018  0.68403972  0.92738384
   0.62435006  0.05178396  0.10392117
   0.83238353  0.21007644  0.23285100
   0.60661944  0.29181941  0.00102573
   0.83251800  0.44940635  0.33992421
   0.02739065  0.40501750  0.18292239
   0.78448162  0.41659993  0.10283280
   0.68553140  0.18331173  0.38316278
   0.44934899  0.13542172  0.46430466
   0.68366104  0.04147637  0.54228869
   0.91770605  0.27627530  0.81978708
   0.63562994  0.30961174  0.54026810
   0.82939975  0.53577921  0.83263758
   1.05724314  0.48812682  0.55951412
   0.73581439  0.38410258  0.69374848
   0.78162883  0.11135082  0.93256921
   0.51629262  0.07504503  0.92636173
   0.55321547  0.53556652  0.04250859
   0.89098127  0.70380680  0.27833891
   0.54316841  0.80340924  0.04059826
   0.81029521  0.97000546  0.31446670
   0.92752531  0.88247432  0.15869212
   0.67094433  0.84579203  0.19840140
   0.84271123  0.64260059  0.45694996
   0.57760226  0.60990059  0.39611593
   0.64181156  0.58462764  0.57705315
   0.82133190  0.78429714  0.80783384
   0.63291337  0.82907226  0.48108417
   0.96988253  1.00658683  0.81658751
   1.00860559  0.84721719  0.67949477
   0.76553194  0.97421795  0.69932466
   0.75104881  0.67645977  0.97193758
   0.53315289  0.68983930  0.87146891
   0.79823785  0.81219458  0.59748380
   0.27323228  0.70303804  0.48456442
   0.95889407  0.24692690  0.06650750
   0.68869037  1.06647869  0.17049548
   0.46149988  0.09684731  0.63821830
   0.26680547  1.11471594  0.92424762
   0.43330097  0.90167999 -0.60226038
   0.27760903  1.10440002  0.03903997
   0.66212932  0.36519355  0.86264028
   0.59172379  0.66590406  0.62007934
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.777233    0.328598   -0.107571
    -0.000000   10.024934    0.122872
    -0.000000    0.000000   14.232530
   Si   O    H 
    32    64    10
Direct configuration=  3128
   0.18538650  0.20232796 -0.00428379
   0.34274983  0.11439301  0.37842585
   0.17372324  0.43571248  0.11706143
   0.42513321  0.33607013  0.25121743
   0.07084446  0.11468487  0.48139855
   0.43032950  0.13329869  0.83625471
   0.16217271  0.36570220  0.59395122
   0.38586040  0.38465806  0.73998747
   0.13605346  0.70168474 -0.00042337
   0.42196181  0.59161630  0.36401646
   0.09420892  0.92881435  0.14393083
   0.32672035  0.83962666  0.25974363
   0.16459146  0.54806072  0.48667443
   0.35355815  0.64502721  0.84043520
   0.11574428  0.85530868  0.59327352
   0.41099729  0.95991554  0.66882949
   0.63983826  0.13517065  0.98819788
   0.81901396  0.12850404  0.32996384
   0.62265508  0.40015439  0.08445068
   0.90320200  0.31499839  0.15452959
   0.62072724  0.16954246  0.48648485
   0.93004256  0.13544998  0.87832892
   0.62162418  0.42218366  0.61693387
   0.79281151  0.39028641  0.80318707
   0.59172913  0.67033359 -0.01782674
   0.91018576  0.58646429  0.36219206
   0.54438456  0.89462760  0.13022443
   0.83042861  0.84487066  0.23836862
   0.67951566  0.67759410  0.46902634
   0.85334112  0.66311397  0.88464327
   0.68989052  0.91124944  0.60795407
   0.89944092  0.89912452  0.75441764
   0.11220974  0.09464771  0.14378096
   0.38499023  0.18582244  0.28569471
   0.16382976  0.35330212  0.01361584
   0.41068935  0.43592547  0.33953074
   0.54542559  0.34460363  0.17053902
   0.31571552  0.38173002  0.17169288
   0.19856453  0.14197985  0.41407226
  -0.05320578  0.14408577  0.40676734
   0.07393228 -0.03307317  0.52043093
   0.47403810  0.26042802  0.77852188
   0.08872991  0.22220539  0.56682061
   0.35888537  0.47457070  0.83315128
   0.48074994  0.45290433  0.66596310
   0.23730818  0.35191641  0.69330359
   0.28913833  0.20232461 -0.10755454
   0.05132922  0.12821877  0.96168845
   0.12341215  0.59366794  0.08962347
   0.39304891  0.69961839  0.28440140
   0.12226991  0.84674010  0.05189352
   0.35810146  0.94162084  0.36330689
   0.40997212  0.92116540  0.19015913
   0.17124049  0.83978619  0.23412245
   0.33599341  0.63232316  0.45810768
   0.07732925  0.59585255  0.39069610
   0.26663410  0.41578530  0.50736940
   0.27972075  0.70648690  0.75265442
   0.12223574  0.72549989  0.52484662
   0.38529772  1.00558114  0.78071746
   0.54449230  0.85343688  0.64852950
   0.27067201  0.90453914  0.62540332
   0.26816375  0.68902403 -0.06809957
   0.00726317  0.68325867  0.92834584
   0.62226769  0.04955001  0.10582039
   0.83313614  0.20859918  0.23293801
   0.60692809  0.29150336  0.00033164
   0.83341947  0.44933935  0.33997574
   0.02933287  0.40372609  0.18309662
   0.78249960  0.41686706  0.10212070
   0.68503867  0.18432964  0.38372558
   0.44988431  0.13534919  0.46260367
   0.68229604  0.04244540  0.54238915
   0.91815391  0.27524640  0.82039783
   0.63376866  0.30984226  0.53974805
   0.83074829  0.53400828  0.83223184
   1.05663102  0.48940473  0.56016235
   0.73510044  0.38360226  0.69264790
   0.78115569  0.11140313  0.93226317
   0.51543662  0.07540436  0.92683741
   0.55223350  0.53693576  0.04144267
   0.89257700  0.70308518  0.28014441
   0.54227991  0.80299535  0.03910323
   0.80979083  0.97067817  0.31327458
   0.92932351  0.88226712  0.15741552
   0.67091824  0.84615282  0.19971519
   0.84234279  0.64231235  0.45806355
   0.57566873  0.61090897  0.39760218
   0.64143280  0.58504270  0.57678556
   0.82118880  0.78319735  0.80745059
   0.63480882  0.82938300  0.48165816
   0.97140150  1.00744232  0.81549264
   1.01068929  0.84722469  0.67792094
   0.76610543  0.97243952  0.69817982
   0.75396637  0.67764142  0.97212984
   0.53237509  0.68776037  0.87105193
   0.79988026  0.81024086  0.59904143
   0.30746367  0.70595672  0.47546299
   0.95602602  0.24290775  0.06857458
   0.69283663  1.06791018  0.16617559
   0.46213478  0.09617121  0.64006629
   0.25984796  1.13049879  0.92340414
   0.44793985  0.89989060 -0.61110252
   0.28214316  1.10689328  0.03803824
   0.65720830  0.36277593  0.85845030
   0.59870489  0.66075486  0.61872895
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.781486    0.325042   -0.106823
    -0.000000   10.025510    0.123708
    -0.000000    0.000000   14.233400
   Si   O    H 
    32    64    10
Direct configuration=  3129
   0.18453878  0.20112073 -0.00303220
   0.34174046  0.11615500  0.37786997
   0.17310215  0.43561340  0.11786415
   0.42505250  0.33518379  0.25142545
   0.07180161  0.11576164  0.48166139
   0.43190520  0.13249111  0.83572468
   0.16366133  0.36640754  0.59416733
   0.38506852  0.38573746  0.74033265
   0.13661281  0.70204230 -0.00162243
   0.42293970  0.59282996  0.36308734
   0.09391572  0.92881306  0.14390991
   0.32639601  0.84002311  0.25850248
   0.16171942  0.54625218  0.48667130
   0.35233276  0.64470468  0.84032899
   0.11558326  0.85487746  0.59360398
   0.41230506  0.96056522  0.66945890
   0.64035059  0.13656316  0.98696738
   0.81969201  0.12950526  0.32987755
   0.62350573  0.40006152  0.08601894
   0.90198910  0.31455056  0.15519011
   0.62116246  0.17018874  0.48742197
   0.92953231  0.13530215  0.87918192
   0.62178812  0.42189191  0.61699241
   0.79128160  0.39053350  0.80370629
   0.59199212  0.67027596 -0.01790527
   0.91120325  0.58625378  0.36188949
   0.54339847  0.89511162  0.12953075
   0.83216305  0.84267000  0.23833370
   0.68052166  0.67728732  0.46884806
   0.85361032  0.66445528  0.88483984
   0.68972021  0.91110013  0.60889089
   0.90064546  0.90022135  0.75452555
   0.11393902  0.09472786  0.14404274
   0.38487855  0.18737578  0.28461300
   0.16473035  0.35330612  0.01427956
   0.40996423  0.43736076  0.33930304
   0.54456136  0.34409023  0.17022505
   0.31466773  0.38122024  0.17183919
   0.19750764  0.14163742  0.41387318
  -0.05183912  0.14234357  0.40675921
   0.07332020 -0.03299649  0.52039132
   0.47455290  0.25770854  0.77858969
   0.08906459  0.22442313  0.56755937
   0.35909391  0.47268033  0.83351713
   0.48089413  0.45374960  0.66534106
   0.23757129  0.35248784  0.69260061
   0.28953799  0.20034396 -0.10891251
   0.05105526  0.12955059  0.96135519
   0.12332953  0.59488456  0.08900935
   0.39200493  0.69977130  0.28568234
   0.12332904  0.84656903  0.05333112
   0.35848337  0.94369777  0.36348477
   0.41124276  0.92107279  0.19000402
   0.17009907  0.84045552  0.23594018
   0.33485491  0.62950611  0.45754275
   0.07392079  0.59458693  0.39051572
   0.26731978  0.41579096  0.50787706
   0.27998048  0.70741340  0.75255187
   0.12251269  0.72369448  0.52584734
   0.38409098  1.00684455  0.78097599
   0.54400510  0.85547362  0.64723060
   0.27003073  0.90440242  0.62456198
   0.26938627  0.68915009 -0.06824769
   0.00933228  0.68309898  0.92956312
   0.62011486  0.04722354  0.10751373
   0.83397671  0.20757057  0.23249934
   0.60697274  0.29120098 -0.00007595
   0.83544221  0.44943116  0.34018054
   0.03116238  0.40210544  0.18298335
   0.78087975  0.41710999  0.10173757
   0.68425485  0.18457658  0.38470096
   0.45108499  0.13554108  0.46138599
   0.68069027  0.04362069  0.54204845
   0.91875603  0.27474754  0.82080249
   0.63257348  0.31043709  0.53884018
   0.83227935  0.53207964  0.83187019
   1.05585777  0.49114133  0.56101919
   0.73449039  0.38324319  0.69212776
   0.78053295  0.11195808  0.93216811
   0.51481594  0.07539886  0.92725947
   0.55123749  0.53863380  0.04046968
   0.89404312  0.70206944  0.28211199
   0.54069210  0.80306198  0.03811749
   0.80902043  0.97068905  0.31290005
   0.93116388  0.88234198  0.15663296
   0.67060380  0.84574211  0.20067349
   0.84159524  0.64234426  0.45915915
   0.57379865  0.61145470  0.39887051
   0.64049014  0.58551524  0.57688108
   0.82099570  0.78160376  0.80745223
   0.63588813  0.82965650  0.48196644
   0.97232526  1.00811131  0.81417833
   1.01205082  0.84698934  0.67683461
   0.76733073  0.97089395  0.69743746
   0.75697098  0.67859747  0.97262860
   0.53110008  0.68577079  0.87055087
   0.80302259  0.80802308  0.59787798
   0.32547778  0.76455139  0.48127103
   0.95156342  0.23512602  0.07450160
   0.68820540  1.06999122  0.15792883
   0.45790989  0.09300271  0.64003007
   0.25349684  1.11146640  0.92795194
   0.45500661  0.89748426 -0.61727821
   0.28722081  1.10938812  0.03794020
   0.65930420  0.36035509  0.85178772
   0.61090209  0.65043202  0.61748315
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.785624    0.321233   -0.106937
    -0.000000   10.026340    0.124553
    -0.000000    0.000000   14.234240
   Si   O    H 
    32    64    10
Direct configuration=  3130
   0.18421750  0.19983780 -0.00162470
   0.34161079  0.11741622  0.37737261
   0.17281138  0.43593787  0.11859862
   0.42479860  0.33407389  0.25139788
   0.07333168  0.11692364  0.48181730
   0.43320460  0.13130364  0.83521670
   0.16545900  0.36707756  0.59380253
   0.38388724  0.38662593  0.74088979
   0.13773847  0.70234724 -0.00250732
   0.42388155  0.59394111  0.36235563
   0.09438703  0.92888134  0.14361802
   0.32618712  0.84054443  0.25758859
   0.15905712  0.54506390  0.48640813
   0.35195820  0.64435165  0.83983400
   0.11582229  0.85386410  0.59349239
   0.41307232  0.96114571  0.67014302
   0.64079866  0.13812547  0.98591959
   0.82039804  0.13046866  0.33041848
   0.62458825  0.40030722  0.08699205
   0.90102626  0.31391657  0.15542773
   0.62146066  0.17045472  0.48830652
   0.92895299  0.13456990  0.88040968
   0.62199248  0.42173921  0.61683593
   0.79041993  0.39014486  0.80427307
   0.59320747  0.66977795 -0.01815058
   0.91244155  0.58606371  0.36184300
   0.54306714  0.89505017  0.12914838
   0.83393052  0.84081042  0.23894110
   0.68208597  0.67704968  0.46860424
   0.85432004  0.66592247  0.88515088
   0.68996160  0.91125366  0.60990828
   0.90140767  0.90169904  0.75423718
   0.11631796  0.09444534  0.14462132
   0.38589862  0.18866091  0.28327039
   0.16519756  0.35376722  0.01489667
   0.40982927  0.43910061  0.33904111
   0.54369786  0.34416835  0.17036552
   0.31277732  0.38187444  0.17185760
   0.19622156  0.14104132  0.41378073
  -0.05092027  0.14246194  0.40631233
   0.07272542 -0.03192480  0.52042421
   0.47529194  0.25550417  0.77872390
   0.08873906  0.22706759  0.56816763
   0.35938272  0.47176685  0.83365237
   0.48053796  0.45464190  0.66469245
   0.23870978  0.35180308  0.69167952
   0.28983486  0.19812561 -0.11010578
   0.05077895  0.13096286  0.96057045
   0.12396822  0.59542454  0.08806796
   0.39179478  0.69969224  0.28669801
   0.12476751  0.84457703  0.05378927
   0.35967726  0.94516349  0.36293634
   0.41261286  0.92169097  0.18956890
   0.16878182  0.84155058  0.23693887
   0.33354502  0.62818928  0.45730077
   0.07114449  0.59291465  0.39016000
   0.26867597  0.41544918  0.50868996
   0.28028279  0.70839605  0.75216589
   0.12311797  0.72208753  0.52736040
   0.38347999  1.00783026  0.78086784
   0.54286951  0.85748170  0.64608752
   0.26982035  0.90417786  0.62410949
   0.27038488  0.68854925 -0.06792672
   0.01149452  0.68287240  0.93091594
   0.61864616  0.04510938  0.10886141
   0.83473180  0.20667282  0.23220103
   0.60703834  0.29147404 -0.00062002
   0.83782494  0.44904088  0.34047129
   0.03410968  0.40022737  0.18257191
   0.77984892  0.41699595  0.10182020
   0.68413654  0.18536136  0.38476196
   0.45255836  0.13648031  0.46058993
   0.67921799  0.04490748  0.54181196
   0.91985208  0.27514233  0.82071807
   0.63077224  0.31169513  0.53779813
   0.83395523  0.53027261  0.83102291
   1.05542218  0.49220742  0.56216924
   0.73480198  0.38292042  0.69233538
   0.78047107  0.11278002  0.93143227
   0.51404119  0.07540324  0.92753364
   0.55052816  0.53966922  0.03985591
   0.89472100  0.70171283  0.28377878
   0.53807762  0.80333495  0.03793888
   0.80862045  0.97058407  0.31283059
   0.93301213  0.88308828  0.15606462
   0.67019846  0.84473387  0.20174961
   0.84101092  0.64181002  0.46042922
   0.57224137  0.61199959  0.39993833
   0.63939278  0.58446129  0.57685747
   0.82081416  0.78007977  0.80751638
   0.63715104  0.82954157  0.48243840
   0.97299900  1.00985938  0.81327423
   1.01399992  0.84693790  0.67604448
   0.76864754  0.97007010  0.69738083
   0.75919885  0.67957596  0.97304519
   0.52877910  0.68416750  0.86999697
   0.80674067  0.80736557  0.59444553
   0.34359010  0.79667366  0.48282325
   0.95007365  0.22453603  0.08219184
   0.68048232  1.07189703  0.15181406
   0.45020468  0.09299580  0.63852366
   0.25980139  1.09592027  0.92290528
   0.45017999  0.89923438 -0.61942243
   0.29123878  1.11045075  0.03592380
   0.66452736  0.35828544  0.84586538
   0.61241573  0.65432665  0.62651978
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789890    0.317436   -0.106686
    -0.000000   10.027250    0.125008
    -0.000000    0.000000   14.235148
   Si   O    H 
    32    64    10
Direct configuration=  3131
   0.18410341  0.19851652 -0.00010071
   0.34138579  0.11866253  0.37710271
   0.17247560  0.43569282  0.11918587
   0.42459264  0.33357032  0.25093849
   0.07465129  0.11853059  0.48229400
   0.43370801  0.13068864  0.83470877
   0.16646889  0.36769503  0.59315481
   0.38251946  0.38714207  0.74136101
   0.13901899  0.70283814 -0.00304324
   0.42490193  0.59498990  0.36244050
   0.09417072  0.92944023  0.14330640
   0.32560199  0.84061385  0.25689070
   0.15673043  0.54456883  0.48598498
   0.35153217  0.64370800  0.83943113
   0.11685962  0.85295601  0.59329277
   0.41356094  0.96159736  0.67043290
   0.64121644  0.13975146  0.98492397
   0.82116031  0.13126521  0.33097996
   0.62535571  0.40014570  0.08699543
   0.90002271  0.31345107  0.15559758
   0.62108586  0.17046293  0.48858723
   0.92804908  0.13428605  0.88172863
   0.62241420  0.42160863  0.61673347
   0.78927236  0.38912274  0.80488187
   0.59444326  0.66885590 -0.01898273
   0.91375839  0.58540455  0.36184645
   0.54286793  0.89427842  0.12922580
   0.83503950  0.83939959  0.23972976
   0.68253999  0.67688511  0.46822435
   0.85503357  0.66691569  0.88541858
   0.69047150  0.91070076  0.61093635
   0.90166647  0.90247065  0.75373280
   0.11896530  0.09328537  0.14507561
   0.38707449  0.19007891  0.28177786
   0.16551253  0.35437706  0.01589941
   0.41000443  0.44055001  0.33827395
   0.54284154  0.34332625  0.17093250
   0.31065513  0.38296511  0.17184633
   0.19501966  0.14083021  0.41319964
  -0.05010604  0.14309733  0.40541955
   0.07154649 -0.03060626  0.52042941
   0.47596224  0.25349555  0.77847300
   0.08876861  0.22974901  0.56850441
   0.36036360  0.47119477  0.83427049
   0.47943041  0.45564854  0.66400800
   0.23972874  0.35128584  0.69114523
   0.28842404  0.19483117 -0.11072151
   0.04971227  0.13208680  0.95915167
   0.12512064  0.59518490  0.08694458
   0.39107156  0.70022125  0.28716666
   0.12676232  0.84292041  0.05419476
   0.36171174  0.94650569  0.36193464
   0.41343689  0.92200661  0.18849798
   0.16799138  0.84273932  0.23808296
   0.33264021  0.62750892  0.45750960
   0.06881231  0.59056880  0.38876370
   0.27004654  0.41536130  0.50938840
   0.28044979  0.70916625  0.75188705
   0.12442885  0.72069083  0.52917856
   0.38333077  1.00818204  0.78042738
   0.54182144  0.85912903  0.64540333
   0.27030704  0.90415949  0.62371231
   0.27105097  0.68823395 -0.06720934
   0.01272331  0.68363366  0.93171196
   0.61644687  0.04256982  0.10887368
   0.83569815  0.20667279  0.23152300
   0.60673121  0.29142619 -0.00098351
   0.83894517  0.44895773  0.34019974
   0.03618433  0.39857151  0.18185663
   0.77925678  0.41805283  0.10220406
   0.68516557  0.18593946  0.38525871
   0.45345358  0.13734467  0.45993778
   0.67863318  0.04665372  0.54162400
   0.92041742  0.27504629  0.82096306
   0.62868188  0.31330059  0.53751868
   0.83564169  0.52902979  0.83007614
   1.05473691  0.49306260  0.56372009
   0.73557559  0.38304309  0.69244963
   0.78022264  0.11327528  0.93078168
   0.51386478  0.07572169  0.92813832
   0.54981134  0.54043029  0.03953615
   0.89430302  0.70207226  0.28493138
   0.53616429  0.80342541  0.03785025
   0.80938571  0.97098475  0.31229064
   0.93519575  0.88354951  0.15574832
   0.67084422  0.84424315  0.20296614
   0.84102986  0.64163445  0.46178166
   0.57232072  0.61152750  0.40131774
   0.63807220  0.58371342  0.57663329
   0.82089903  0.77891203  0.80764732
   0.63856580  0.83035795  0.48282171
   0.97286620  1.01238967  0.81237552
   1.01445401  0.84725937  0.67527872
   0.76968422  0.96938386  0.69860816
   0.76062731  0.68000134  0.97398502
   0.52566799  0.68219619  0.86996128
   0.80600197  0.81033995  0.59075102
   0.35865492  0.81561754  0.48105091
   0.94805379  0.21499537  0.08802693
   0.68865036  1.07560118  0.15864772
   0.44427852  0.09418629  0.63553302
   0.27325790  1.09695759  0.91409129
   0.44167635  0.90225199 -0.61891604
   0.29247586  1.11389876  0.03353435
   0.66558555  0.35607502  0.84376953
   0.61491485  0.65201057  0.63135248
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794055    0.313470   -0.106701
    -0.000000   10.028300    0.125582
    -0.000000    0.000000   14.236056
   Si   O    H 
    32    64    10
Direct configuration=  3132
   0.18352083  0.19695624  0.00125729
   0.34175617  0.11935745  0.37728615
   0.17149750  0.43587508  0.11967248
   0.42408487  0.33368543  0.25050676
   0.07560134  0.12007991  0.48293418
   0.43428309  0.13071814  0.83537409
   0.16681588  0.36826438  0.59240286
   0.38133680  0.38722036  0.74205562
   0.14074496  0.70299100 -0.00371313
   0.42572498  0.59591653  0.36255009
   0.09347983  0.93009888  0.14324246
   0.32496746  0.84029411  0.25628671
   0.15572958  0.54440443  0.48487576
   0.35082200  0.64368243  0.83906149
   0.11835670  0.85211118  0.59279726
   0.41421857  0.96209063  0.67052052
   0.64152656  0.14081499  0.98447279
   0.82252894  0.13234864  0.33094572
   0.62577044  0.40007855  0.08624815
   0.89943385  0.31308824  0.15639913
   0.61995453  0.17108625  0.48810133
   0.92668170  0.13438983  0.88279502
   0.62208643  0.42107597  0.61644718
   0.78849574  0.38768331  0.80524951
   0.59583535  0.66798209 -0.02007021
   0.91451814  0.58504887  0.36265747
   0.54401969  0.89355931  0.12942729
   0.83600138  0.83795499  0.24082740
   0.68248936  0.67762701  0.46786542
   0.85609614  0.66736979  0.88564415
   0.69122316  0.91009918  0.61163937
   0.90278846  0.90273536  0.75322137
   0.11970832  0.09128339  0.14577522
   0.38811777  0.19119014  0.28067297
   0.16603052  0.35470003  0.01656649
   0.41014177  0.44060798  0.33703976
   0.54243754  0.34260839  0.17155471
   0.30910254  0.38329633  0.17129101
   0.19383052  0.14000257  0.41264321
  -0.04955885  0.14341341  0.40460657
   0.07066450 -0.02950165  0.52044910
   0.47699231  0.25192621  0.77813004
   0.08909716  0.23170260  0.56886211
   0.36107214  0.47131719  0.83483785
   0.47823705  0.45611062  0.66376048
   0.24074693  0.34945407  0.69095829
   0.28616863  0.19079544 -0.11118867
   0.04832079  0.13323958  0.95731066
   0.12686339  0.59417758  0.08589501
   0.39013717  0.70127019  0.28722382
   0.12900282  0.84132144  0.05441391
   0.36230305  0.94801612  0.36087110
   0.41316986  0.92258746  0.18702974
   0.16730474  0.84367938  0.23946466
   0.33162805  0.62691392  0.45774712
   0.06759439  0.58897905  0.38728697
   0.27151872  0.41574205  0.51000543
   0.28048194  0.71005843  0.75206234
   0.12588008  0.71890674  0.53082422
   0.38303950  1.00743141  0.77987077
   0.54054078  0.86082132  0.64501222
   0.27133197  0.90481014  0.62379729
   0.27178394  0.68795504 -0.06633186
   0.01327270  0.68504152  0.93239757
   0.61535050  0.04054408  0.10864292
   0.83645453  0.20644496  0.23039837
   0.60654429  0.29172188 -0.00102278
   0.84048073  0.44836123  0.34001647
   0.03735734  0.39723833  0.18104690
   0.77958278  0.41929213  0.10319292
   0.68640511  0.18663905  0.38570951
   0.45364056  0.13862826  0.45950966
   0.67871168  0.04838483  0.54236381
   0.92027530  0.27513229  0.82130154
   0.62613364  0.31554442  0.53713358
   0.83754354  0.52789192  0.82939811
   1.05408764  0.49349335  0.56518349
   0.73660637  0.38315390  0.69281571
   0.77997837  0.11366594  0.93001754
   0.51421752  0.07588845  0.92838305
   0.54944622  0.54112893  0.03941033
   0.89442715  0.70297751  0.28596172
   0.53418488  0.80294072  0.03759388
   0.80916786  0.97150267  0.31175140
   0.93665228  0.88413950  0.15481496
   0.67153000  0.84384637  0.20369284
   0.84151023  0.64115429  0.46327458
   0.57326302  0.61062387  0.40240670
   0.63722177  0.58295531  0.57674184
   0.82164263  0.77804447  0.80801130
   0.63996244  0.83059584  0.48305619
   0.97276783  1.01512845  0.81137552
   1.01420075  0.84745886  0.67513338
   0.77042595  0.96838913  0.69964769
   0.76153913  0.68046718  0.97450235
   0.52216985  0.68035279  0.87051972
   0.80247761  0.81492156  0.58709841
   0.37300261  0.82714317  0.48069337
   0.94481446  0.20524503  0.09077125
   0.68885661  1.07326093  0.16079487
   0.43590434  0.09573461  0.63179388
   0.28749250  1.10814684  0.90615944
   0.45043081  0.90079384 -0.61101564
   0.29532627  1.11527378  0.03446758
   0.66170796  0.34776932  0.84380771
   0.61712510  0.64518448  0.63021669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798135    0.309579   -0.106233
    -0.000000   10.029330    0.126315
    -0.000000    0.000000   14.237268
   Si   O    H 
    32    64    10
Direct configuration=  3133
   0.18276279  0.19504988  0.00239996
   0.34270778  0.11974326  0.37760419
   0.17029501  0.43642508  0.12011025
   0.42367242  0.33405462  0.24978749
   0.07591852  0.12163866  0.48305907
   0.43517489  0.13004497  0.83587256
   0.16698390  0.36908353  0.59150117
   0.37983029  0.38703666  0.74309081
   0.14256222  0.70318224 -0.00424446
   0.42600959  0.59680689  0.36253354
   0.09307035  0.93068331  0.14321577
   0.32417833  0.83989389  0.25590639
   0.15533058  0.54474854  0.48394256
   0.35058946  0.64357514  0.83894621
   0.12015096  0.85144979  0.59209675
   0.41438055  0.96290454  0.67035843
   0.64124590  0.14133511  0.98438627
   0.82404669  0.13318559  0.33135095
   0.62508343  0.39944935  0.08550575
   0.89859278  0.31283029  0.15693198
   0.61880508  0.17162623  0.48724954
   0.92524505  0.13492813  0.88344526
   0.62194591  0.42088932  0.61620709
   0.78794619  0.38591714  0.80539653
   0.59735043  0.66738313 -0.02105481
   0.91472153  0.58445374  0.36350960
   0.54621390  0.89290944  0.12914146
   0.83646613  0.83687129  0.24124249
   0.68233291  0.67840036  0.46776235
   0.85795547  0.66703746  0.88574235
   0.69171128  0.90962811  0.61202588
   0.90400483  0.90242345  0.75254635
   0.12060553  0.08903148  0.14652718
   0.38826478  0.19199657  0.27991068
   0.16710201  0.35479616  0.01839872
   0.40964647  0.43992651  0.33593120
   0.54282770  0.34175306  0.17214936
   0.30717056  0.38464968  0.17051642
   0.19323302  0.13941063  0.41196889
  -0.04906047  0.14415336  0.40451916
   0.06888242 -0.02815803  0.52042687
   0.47770398  0.25040880  0.77711955
   0.08981233  0.23292148  0.56916475
   0.36203711  0.47177693  0.83513616
   0.47786776  0.45684045  0.66376285
   0.24157428  0.34784665  0.69130361
   0.28430727  0.18799656 -0.11199618
   0.04739137  0.13471314  0.95557839
   0.12883847  0.59294432  0.08431428
   0.38936197  0.70279056  0.28630608
   0.13175261  0.84035317  0.05374680
   0.36328348  0.94877603  0.35971859
   0.41287616  0.92301190  0.18577084
   0.16621011  0.84412385  0.24021250
   0.33037348  0.62590214  0.45774966
   0.06765070  0.58661406  0.38597667
   0.27254177  0.41550572  0.51016890
   0.28090545  0.71075000  0.75191514
   0.12666045  0.71737006  0.53243585
   0.38285623  1.00619985  0.77914576
   0.53919792  0.86215932  0.64559230
   0.27275455  0.90589933  0.62389349
   0.27251347  0.68766444 -0.06553604
   0.01252136  0.68595340  0.93230152
   0.61497209  0.03877195  0.10794401
   0.83774019  0.20721196  0.22976357
   0.60609869  0.29293396 -0.00067904
   0.84160190  0.44814752  0.33956905
   0.03865796  0.39613763  0.18004152
   0.78060639  0.42048876  0.10456403
   0.68767874  0.18752309  0.38600236
   0.45391727  0.14049920  0.45983869
   0.67903788  0.04931082  0.54305909
   0.91968300  0.27544655  0.82148729
   0.62376802  0.31791335  0.53718306
   0.83979659  0.52775283  0.82968955
   1.05272370  0.49368757  0.56705216
   0.73800471  0.38301962  0.69321734
   0.78018880  0.11398030  0.92918393
   0.51447683  0.07592053  0.92835907
   0.54974356  0.54134732  0.03954912
   0.89368216  0.70438312  0.28662276
   0.53179715  0.80196074  0.03699005
   0.80915608  0.97215521  0.31032568
   0.93667848  0.88541978  0.15451340
   0.67149668  0.84401018  0.20454320
   0.84185736  0.64107753  0.46443111
   0.57425627  0.61028235  0.40383613
   0.63676532  0.58158547  0.57684005
   0.82247029  0.77763644  0.80789828
   0.64117120  0.83106797  0.48296984
   0.97247131  1.01758617  0.81062674
   1.01269158  0.84653661  0.67591038
   0.77111751  0.96795979  0.70109060
   0.76264928  0.68072234  0.97429943
   0.51893749  0.67816640  0.87050556
   0.79969656  0.81782932  0.58478301
   0.38507412  0.83168294  0.48538821
   0.93857943  0.19934623  0.09077901
   0.68080853  1.06745416  0.15778084
   0.43004852  0.09972230  0.62722974
   0.29968951  1.08189476  0.90761010
   0.45481702  0.90669651 -0.60509046
   0.29903403  1.11243678  0.03602697
   0.65778632  0.33669087  0.84589688
   0.61390173  0.63426844  0.62764963
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801928    0.305171   -0.106177
    -0.000000   10.030727    0.127559
    -0.000000    0.000000   14.238179
   Si   O    H 
    32    64    10
Direct configuration=  3134
   0.18178133  0.19290553  0.00325212
   0.34441338  0.12034106  0.37809424
   0.16946596  0.43730153  0.12026415
   0.42330386  0.33475185  0.24879276
   0.07592554  0.12258560  0.48318159
   0.43600819  0.12932564  0.83641368
   0.16709483  0.36990161  0.59066370
   0.37900324  0.38666941  0.74423210
   0.14453249  0.70334180 -0.00402457
   0.42668626  0.59747247  0.36285920
   0.09329067  0.93197268  0.14303978
   0.32401756  0.83960908  0.25604450
   0.15447240  0.54556069  0.48331859
   0.34998262  0.64337761  0.83830670
   0.12191408  0.85036256  0.59131480
   0.41408638  0.96388789  0.67019856
   0.64075802  0.14102533  0.98403166
   0.82589666  0.13374511  0.33190044
   0.62426541  0.39901547  0.08457261
   0.89767377  0.31273399  0.15748249
   0.61807511  0.17256586  0.48671168
   0.92402254  0.13640937  0.88375093
   0.62216171  0.42089523  0.61594017
   0.78716777  0.38394075  0.80567832
   0.59779847  0.66772791 -0.02230586
   0.91449677  0.58327253  0.36444830
   0.54876399  0.89163714  0.12911829
   0.83743856  0.83595383  0.24152948
   0.68241766  0.67898727  0.46780668
   0.85982801  0.66703028  0.88567465
   0.69197423  0.90931024  0.61221374
   0.90526762  0.90171577  0.75168313
   0.12221657  0.08753728  0.14730531
   0.38940894  0.19116059  0.27973258
   0.16783058  0.35545404  0.01975130
   0.40904627  0.43927336  0.33459439
   0.54380919  0.34110249  0.17282598
   0.30510397  0.38506905  0.16975521
   0.19320357  0.13880309  0.41069589
  -0.04875243  0.14521737  0.40438980
   0.06734767 -0.02707325  0.52070220
   0.47741728  0.24906591  0.77650361
   0.08981704  0.23332019  0.56899602
   0.36356347  0.47218710  0.83499861
   0.47733789  0.45670669  0.66373863
   0.24313514  0.34602661  0.69184459
   0.28216254  0.18562287 -0.11267287
   0.04716092  0.13606885  0.95417248
   0.13193165  0.59101115  0.08296868
   0.38856971  0.70364426  0.28497271
   0.13477081  0.83987688  0.05319176
   0.36501855  0.94923849  0.35837494
   0.41218269  0.92310241  0.18473130
   0.16426256  0.84419552  0.24058396
   0.32921941  0.62491665  0.45721808
   0.06931059  0.58377619  0.38524164
   0.27375067  0.41511056  0.51038039
   0.28175307  0.71156544  0.75224024
   0.12787877  0.71540090  0.53435097
   0.38390695  1.00460549  0.77864277
   0.53910206  0.86358900  0.64579092
   0.27330962  0.90767855  0.62405874
   0.27353085  0.68724262 -0.06449353
   0.01097453  0.68652678  0.93182055
   0.61470182  0.03772962  0.10722639
   0.83758543  0.20750349  0.22888721
   0.60642904  0.29424038 -0.00048976
   0.84232503  0.44875378  0.33900905
   0.03898593  0.39513648  0.17931622
   0.78279267  0.42165583  0.10575108
   0.68833425  0.18897583  0.38644794
   0.45454156  0.14262694  0.45992316
   0.67986425  0.04992242  0.54447910
   0.91865239  0.27641715  0.82151269
   0.62132412  0.32080848  0.53692352
   0.84182564  0.52880276  0.82970073
   1.05163293  0.49347112  0.56860829
   0.73872607  0.38345725  0.69435768
   0.77975542  0.11396911  0.92896518
   0.51557746  0.07595870  0.92838703
   0.55079457  0.54139124  0.04002636
   0.89273385  0.70630870  0.28699233
   0.52901639  0.80161517  0.03666267
   0.80939328  0.97292826  0.30978943
   0.93573202  0.88633145  0.15431191
   0.67112409  0.84450384  0.20513839
   0.84233798  0.64066894  0.46491796
   0.57580877  0.60943188  0.40529949
   0.63684592  0.58062110  0.57610645
   0.82349339  0.77796617  0.80743593
   0.64313634  0.83171495  0.48309702
   0.97224527  1.01978998  0.81029641
   1.01196525  0.84579637  0.67657210
   0.77103392  0.96767341  0.70201365
   0.76224974  0.68165703  0.97498627
   0.51569177  0.67535896  0.87040825
   0.79942028  0.81701504  0.58397075
   0.39851689  0.83208077  0.49315862
   0.93239070  0.19681942  0.09206185
   0.67393458  1.06310930  0.15497603
   0.42767258  0.09966428  0.62292119
   0.30481053  1.06334315  0.90825023
   0.45027435  0.91673637 -0.60018918
   0.29990202  1.11129667  0.03859564
   0.65797273  0.32866352  0.84954502
   0.60925077  0.63371345  0.63024896
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805512    0.300986   -0.106416
    -0.000000   10.031855    0.128679
    -0.000000    0.000000   14.239220
   Si   O    H 
    32    64    10
Direct configuration=  3135
   0.18150790  0.19084888  0.00403574
   0.34587088  0.12035202  0.37835163
   0.16851471  0.43790155  0.12027155
   0.42264751  0.33542943  0.24764083
   0.07485866  0.12318600  0.48339760
   0.43744874  0.12903459  0.83673868
   0.16718422  0.37017408  0.58984568
   0.37811196  0.38602455  0.74472466
   0.14634528  0.70376363 -0.00344410
   0.42655087  0.59738795  0.36389989
   0.09283937  0.93292850  0.14270734
   0.32469406  0.83919615  0.25625193
   0.15384357  0.54720472  0.48269797
   0.35055065  0.64321067  0.83812639
   0.12304833  0.84954754  0.59047094
   0.41437850  0.96446261  0.66985869
   0.64017232  0.14046441  0.98353760
   0.82753959  0.13415555  0.33263917
   0.62328670  0.39873749  0.08345435
   0.89692994  0.31299223  0.15745728
   0.61739068  0.17332410  0.48634794
   0.92273005  0.13823009  0.88377142
   0.62232176  0.42093846  0.61594091
   0.78707661  0.38225299  0.80618489
   0.59769469  0.66854507 -0.02356153
   0.91375015  0.58204825  0.36539616
   0.55127246  0.88977195  0.12932451
   0.83867643  0.83663706  0.24128662
   0.68260742  0.67964337  0.46837171
   0.86155288  0.66701934  0.88547657
   0.69209995  0.90878897  0.61201958
   0.90580413  0.90111399  0.75097113
   0.12317201  0.08606730  0.14852704
   0.39009867  0.18995625  0.28040000
   0.16875803  0.35617248  0.02139161
   0.41007144  0.43875667  0.33325293
   0.54570128  0.34039482  0.17347860
   0.30367183  0.38555010  0.16922987
   0.19325055  0.13935821  0.40933796
  -0.04750786  0.14614935  0.40421311
   0.06594534 -0.02659380  0.52078128
   0.47770654  0.24830760  0.77587837
   0.08981197  0.23365555  0.56894780
   0.36511178  0.47275402  0.83482804
   0.47609135  0.45641594  0.66396432
   0.24420449  0.34398859  0.69203592
   0.28081075  0.18180296 -0.11343471
   0.04685706  0.13842451  0.95314491
   0.13525547  0.58953428  0.08190807
   0.38776935  0.70431517  0.28353907
   0.13845905  0.83899965  0.05298658
   0.36705644  0.94967188  0.35637079
   0.41128989  0.92280523  0.18296385
   0.16262551  0.84485363  0.24059259
   0.32847982  0.62445570  0.45661039
   0.07144800  0.58087341  0.38499071
   0.27497963  0.41569184  0.51104890
   0.28230140  0.71177815  0.75212370
   0.12918141  0.71462396  0.53624482
   0.38501900  1.00360301  0.77781292
   0.53970645  0.86548404  0.64596862
   0.27332191  0.90956996  0.62417072
   0.27572789  0.68636835 -0.06382539
   0.00954123  0.68739842  0.93130604
   0.61476786  0.03697567  0.10537088
   0.83650737  0.20742506  0.22834794
   0.60699092  0.29622879 -0.00044657
   0.84386176  0.44881074  0.33863113
   0.03892488  0.39417020  0.17905881
   0.78559180  0.42243932  0.10684623
   0.68871907  0.19035892  0.38611961
   0.45605866  0.14380920  0.46040643
   0.68047827  0.05008326  0.54605000
   0.91733377  0.27757611  0.82180424
   0.61886257  0.32280266  0.53659215
   0.84370634  0.53031905  0.82942738
   1.05138705  0.49319488  0.57076140
   0.73926938  0.38422571  0.69467908
   0.77830217  0.11359220  0.92838574
   0.51713597  0.07660534  0.92851620
   0.55156774  0.54075144  0.04077935
   0.89184204  0.70793027  0.28720581
   0.52664069  0.80181185  0.03669832
   0.80963015  0.97412373  0.30905008
   0.93455292  0.88618929  0.15365874
   0.67111760  0.84483832  0.20506243
   0.84334717  0.64015796  0.46479497
   0.57719110  0.60824697  0.40644044
   0.63730047  0.57944927  0.57547396
   0.82487679  0.77850742  0.80733718
   0.64506413  0.83228155  0.48318631
   0.97188354  1.02119743  0.81010529
   1.01190600  0.84439628  0.67759468
   0.77196449  0.96646523  0.70325906
   0.76170286  0.68179968  0.97603362
   0.51286719  0.67201909  0.87013410
   0.80031891  0.81305477  0.58269059
   0.41172699  0.82931838  0.50048350
   0.92415915  0.19836047  0.09129232
   0.67981002  1.06216465  0.15844727
   0.42980741  0.09947927  0.62154266
   0.30101684  1.06468942  0.90854494
   0.43814558  0.92818595 -0.59720566
   0.29800798  1.10979372  0.04236329
   0.66215978  0.32377311  0.85159959
   0.60032125  0.63621588  0.63317018
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809342    0.296083   -0.106980
    -0.000000   10.033182    0.129671
    -0.000000    0.000000   14.240503
   Si   O    H 
    32    64    10
Direct configuration=  3136
   0.18153203  0.18880682  0.00465175
   0.34736943  0.12070683  0.37921285
   0.16791374  0.43855183  0.12000633
   0.42130023  0.33665413  0.24679663
   0.07396787  0.12373534  0.48332932
   0.43854643  0.12849243  0.83668605
   0.16740415  0.37007528  0.58921590
   0.37842385  0.38525764  0.74552088
   0.14757522  0.70365487 -0.00248596
   0.42623591  0.59697049  0.36529289
   0.09282211  0.93357517  0.14238588
   0.32499168  0.83959634  0.25669196
   0.15381483  0.54905010  0.48293044
   0.35100869  0.64340587  0.83776893
   0.12405198  0.84839571  0.59013481
   0.41351003  0.96443216  0.66943646
   0.63947239  0.14030968  0.98310241
   0.82889883  0.13499295  0.33347054
   0.62252087  0.39932427  0.08209366
   0.89664343  0.31341515  0.15711922
   0.61721412  0.17361309  0.48594273
   0.92209769  0.13935398  0.88365845
   0.62294001  0.42156568  0.61620229
   0.78673109  0.38100640  0.80673939
   0.59706478  0.66960188 -0.02467627
   0.91283841  0.58095544  0.36617054
   0.55409048  0.88778214  0.12950899
   0.83929148  0.83792463  0.24111697
   0.68258196  0.68025909  0.46925992
   0.86277508  0.66668585  0.88563908
   0.69236417  0.90937365  0.61164488
   0.90595114  0.90052311  0.75039864
   0.12375061  0.08452975  0.14907741
   0.39109227  0.18825382  0.28073661
   0.16939373  0.35586706  0.02269441
   0.41145319  0.43828311  0.33223625
   0.54819561  0.33914983  0.17343717
   0.30330930  0.38685383  0.16889927
   0.19299427  0.14018881  0.40857135
  -0.04641258  0.14710339  0.40442343
   0.06468319 -0.02683528  0.52092232
   0.47776540  0.24751863  0.77450725
   0.08993271  0.23330825  0.56878996
   0.36612095  0.47278238  0.83536308
   0.47476854  0.45593754  0.66437098
   0.24487040  0.34354375  0.69260361
   0.28015199  0.17663293 -0.11375202
   0.04656714  0.14052680  0.95215020
   0.13835306  0.58865953  0.08095293
   0.38744710  0.70456357  0.28228155
   0.14181271  0.83741204  0.05285895
   0.36871004  0.95041868  0.35465463
   0.40969504  0.92250430  0.18158759
   0.16066734  0.84620466  0.24060576
   0.32807747  0.62395884  0.45534298
   0.07453976  0.57889395  0.38459174
   0.27533719  0.41575896  0.51146751
   0.28252981  0.71218836  0.75213992
   0.13054070  0.71410032  0.53742334
   0.38605211  1.00270539  0.77748360
   0.54080878  0.86716222  0.64596279
   0.27314666  0.91170037  0.62354490
   0.27797601  0.68565935 -0.06292762
   0.00897695  0.68831053  0.93046969
   0.61455087  0.03650493  0.10368126
   0.83460481  0.20688799  0.22766416
   0.60707542  0.29744292 -0.00107903
   0.84522316  0.44850601  0.33844520
   0.03768816  0.39313732  0.17911762
   0.78825246  0.42359723  0.10823529
   0.68851930  0.19131730  0.38583873
   0.45804527  0.14464212  0.46093199
   0.68122452  0.05000436  0.54737584
   0.91619825  0.27885091  0.82238449
   0.61763258  0.32419366  0.53542316
   0.84533185  0.53176419  0.82950984
   1.05185958  0.49240448  0.57211427
   0.73927934  0.38417973  0.69448833
   0.77731326  0.11368913  0.92777245
   0.51881885  0.07679357  0.92890562
   0.55273094  0.54055368  0.04142311
   0.89207131  0.70881305  0.28810979
   0.52549254  0.80263788  0.03594988
   0.80978958  0.97471239  0.30812557
   0.93302067  0.88605962  0.15350097
   0.67192896  0.84526633  0.20541459
   0.84407418  0.64023172  0.46421964
   0.57860565  0.60642073  0.40634887
   0.63828082  0.57920023  0.57538811
   0.82653162  0.77978708  0.80682277
   0.64626999  0.83278015  0.48307780
   0.97090589  1.02258561  0.80976099
   1.01199071  0.84261767  0.67879597
   0.77218802  0.96584047  0.70428484
   0.76130528  0.68067730  0.97720434
   0.51150292  0.66929534  0.87059411
   0.80172645  0.80839177  0.58307779
   0.42531248  0.82657941  0.50792364
   0.91882749  0.20165708  0.08998721
   0.68103726  1.05816880  0.16108303
   0.43400651  0.09554247  0.62094365
   0.28602066  1.08697393  0.90796529
   0.43237053  0.93393982 -0.59388548
   0.29877707  1.10780732  0.04476059
   0.67031751  0.32161273  0.85544551
   0.59778875  0.63656939  0.63105673
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813627    0.290599   -0.107392
    -0.000000   10.034640    0.130214
    -0.000000    0.000000   14.241750
   Si   O    H 
    32    64    10
Direct configuration=  3137
   0.18156761  0.18701479  0.00572533
   0.34870724  0.12152677  0.38026028
   0.16732564  0.43908133  0.11951231
   0.41995915  0.33833097  0.24562719
   0.07321687  0.12466319  0.48398044
   0.43903898  0.12739875  0.83670180
   0.16747417  0.36983046  0.58863341
   0.37982580  0.38424647  0.74577632
   0.14829137  0.70356114 -0.00148449
   0.42647854  0.59613958  0.36655417
   0.09306503  0.93477464  0.14187319
   0.32509518  0.84071025  0.25696973
   0.15455474  0.55070256  0.48286555
   0.35155117  0.64362614  0.83767757
   0.12509381  0.84800330  0.58959667
   0.41205503  0.96419094  0.66878250
   0.63843683  0.14014442  0.98257158
   0.82969237  0.13591245  0.33425040
   0.62168421  0.40005288  0.08080332
   0.89712764  0.31334465  0.15680868
   0.61712557  0.17339531  0.48545698
   0.92143304  0.14054420  0.88352864
   0.62361486  0.42235440  0.61683049
   0.78624366  0.37956953  0.80765046
   0.59571434  0.67052545 -0.02604525
   0.91180842  0.57973311  0.36685496
   0.55665196  0.88567257  0.12991334
   0.83931375  0.83979743  0.24130148
   0.68285895  0.68044933  0.47045373
   0.86418738  0.66704139  0.88539818
   0.69311101  0.90964578  0.61059004
   0.90571137  0.90026452  0.75005486
   0.12417506  0.08376550  0.14995711
   0.39168091  0.18610044  0.28086253
   0.17003310  0.35516926  0.02358989
   0.41323463  0.43790288  0.33136922
   0.55097791  0.33777160  0.17376128
   0.30306549  0.38808546  0.16937083
   0.19278437  0.14133065  0.40821683
  -0.04572779  0.14935300  0.40496420
   0.06335962 -0.02688234  0.52128693
   0.47708559  0.24690237  0.77370254
   0.08934128  0.23269428  0.56785327
   0.36595924  0.47359437  0.83600547
   0.47315338  0.45511621  0.66531761
   0.24405085  0.34320333  0.69308782
   0.28044504  0.17213698 -0.11381207
   0.04614163  0.14165418  0.95148441
   0.14140815  0.58796940  0.07998408
   0.38688465  0.70333678  0.28111357
   0.14425772  0.83636825  0.05306037
   0.36948620  0.95134852  0.35269434
   0.40870758  0.92177030  0.17993120
   0.15890032  0.84746030  0.24038031
   0.32784529  0.62303976  0.45447454
   0.07710577  0.57812646  0.38424152
   0.27512320  0.41665321  0.51104471
   0.28249063  0.71211221  0.75171495
   0.13091063  0.71353961  0.53876711
   0.38697634  1.00168040  0.77712935
   0.54182185  0.86867216  0.64626638
   0.27315280  0.91354327  0.62290320
   0.28027731  0.68451706 -0.06228845
   0.00869646  0.68888752  0.93031898
   0.61448097  0.03670627  0.10283025
   0.83228188  0.20696219  0.22714316
   0.60747532  0.29792575 -0.00179793
   0.84664250  0.44793096  0.33833479
   0.03617943  0.39123490  0.17978841
   0.78966242  0.42463922  0.10912703
   0.68839999  0.19218889  0.38503433
   0.46034539  0.14556142  0.46133776
   0.68179679  0.05013771  0.54907324
   0.91493126  0.27943116  0.82302965
   0.61710274  0.32489761  0.53435806
   0.84656788  0.53287368  0.82981946
   1.05245266  0.49208794  0.57299908
   0.73942946  0.38383884  0.69444764
   0.77695745  0.11280186  0.92765568
   0.51976521  0.07709222  0.92989381
   0.55435639  0.54051948  0.04211964
   0.89309183  0.70948646  0.28858518
   0.52499730  0.80369137  0.03530500
   0.80943765  0.97559535  0.30723674
   0.93152964  0.88466258  0.15351373
   0.67289651  0.84505097  0.20615009
   0.84564627  0.64065187  0.46284052
   0.58017689  0.60518802  0.40585534
   0.63937163  0.57905227  0.57584135
   0.82915241  0.78123845  0.80674091
   0.64719447  0.83304861  0.48276577
   0.96971967  1.02437742  0.80957228
   1.01238155  0.84079804  0.67994698
   0.77174384  0.96510739  0.70568116
   0.76116391  0.67942243  0.97848064
   0.51120231  0.66719390  0.87152895
   0.80163897  0.80765714  0.58540024
   0.43775419  0.81901040  0.51437166
   0.91641329  0.20842716  0.08632095
   0.67640572  1.05496915  0.15828948
   0.43725627  0.09207908  0.62018187
   0.26905889  1.09723236  0.91112675
   0.43295381  0.93328281 -0.59057242
   0.29597133  1.10578346  0.04595595
   0.67952663  0.32588196  0.85846343
   0.60269835  0.63232918  0.62104848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818054    0.285890   -0.107757
    -0.000000   10.035531    0.130851
    -0.000000    0.000000   14.242830
   Si   O    H 
    32    64    10
Direct configuration=  3138
   0.18227603  0.18547392  0.00729657
   0.35003485  0.12243180  0.38096339
   0.16664741  0.43954469  0.11920733
   0.41906023  0.34021337  0.24423530
   0.07206721  0.12627412  0.48447314
   0.44017415  0.12575469  0.83692211
   0.16682521  0.36982389  0.58791344
   0.38104892  0.38353706  0.74630856
   0.14903387  0.70297642 -0.00034401
   0.42619267  0.59492989  0.36756275
   0.09270640  0.93547493  0.14177523
   0.32483672  0.84268940  0.25745614
   0.15591947  0.55222232  0.48290737
   0.35285566  0.64370766  0.83800799
   0.12585551  0.84812298  0.58923642
   0.41079604  0.96430729  0.66818423
   0.63785287  0.13952854  0.98217903
   0.82953905  0.13736087  0.33462574
   0.62159369  0.40138657  0.08002622
   0.89786566  0.31271147  0.15625207
   0.61692680  0.17279663  0.48539865
   0.92074055  0.14194505  0.88285496
   0.62386609  0.42315871  0.61790319
   0.78632304  0.37883516  0.80802584
   0.59367951  0.67152064 -0.02701050
   0.91092875  0.57872359  0.36741392
   0.55848665  0.88409794  0.13038829
   0.83895528  0.84211434  0.24093231
   0.68378792  0.68065761  0.47188036
   0.86485959  0.66785140  0.88523727
   0.69446448  0.90980598  0.60978346
   0.90577803  0.89988507  0.75009714
   0.12502402  0.08320282  0.15067301
   0.39274357  0.18415652  0.28115426
   0.17094410  0.35474448  0.02387558
   0.41484594  0.43803906  0.33038674
   0.55354369  0.33687418  0.17450130
   0.30350633  0.38870049  0.17008245
   0.19304335  0.14236629  0.40793888
  -0.04464373  0.15106308  0.40576794
   0.06228263 -0.02699246  0.52152512
   0.47682572  0.24679603  0.77256677
   0.08861978  0.23239861  0.56686502
   0.36596610  0.47406834  0.83640650
   0.47273485  0.45540358  0.66584783
   0.24210926  0.34274366  0.69355169
   0.28117693  0.17089607 -0.11416154
   0.04597679  0.14266628  0.95122577
   0.14476128  0.58774638  0.07899362
   0.38664142  0.70045659  0.28060059
   0.14675190  0.83603034  0.05344741
   0.37082651  0.95128878  0.35123947
   0.40799179  0.92076427  0.17785880
   0.15815796  0.84805602  0.24081493
   0.32658228  0.62242151  0.45318306
   0.07869457  0.57699840  0.38319538
   0.27442477  0.41699270  0.51059183
   0.28292455  0.71173868  0.75096119
   0.13075542  0.71209167  0.53984731
   0.38824244  1.00133722  0.77700621
   0.54191664  0.86967489  0.64702732
   0.27336928  0.91557276  0.62283557
   0.28216745  0.68387035 -0.06158816
   0.00872193  0.69030439  0.93066498
   0.61537403  0.03767540  0.10120710
   0.83084192  0.20670459  0.22705530
   0.60798998  0.29758434 -0.00268546
   0.84798238  0.44669233  0.33832782
   0.03476742  0.38962289  0.18076752
   0.79108108  0.42585203  0.10944335
   0.68941459  0.19273936  0.38445679
   0.46160255  0.14678845  0.46178121
   0.68168499  0.05067495  0.55044758
   0.91518472  0.28043578  0.82443408
   0.61682841  0.32500921  0.53280419
   0.84795880  0.53329447  0.83029626
   1.05369115  0.49201688  0.57335187
   0.73932804  0.38314913  0.69441474
   0.77568472  0.11213093  0.92774186
   0.51920350  0.07718230  0.93018069
   0.55609795  0.54093519  0.04270660
   0.89497053  0.70967992  0.28925291
   0.52442488  0.80478128  0.03386146
   0.80929504  0.97610456  0.30635644
   0.93019805  0.88384497  0.15339183
   0.67346649  0.84384373  0.20705010
   0.84642686  0.64063989  0.46212681
   0.58155106  0.60479021  0.40503387
   0.64120686  0.57865488  0.57575951
   0.83155746  0.78286861  0.80698002
   0.64799349  0.83287899  0.48232979
   0.96891780  1.02590366  0.80949381
   1.01416583  0.83877699  0.68084413
   0.77142859  0.96413609  0.70634586
   0.76090962  0.67872109  0.97904092
   0.51113344  0.66548958  0.87211425
   0.80106913  0.80485451  0.58775514
   0.44957571  0.81017290  0.52035668
   0.91319905  0.21577632  0.08038969
   0.67277876  1.04980548  0.15518669
   0.43766035  0.08923553  0.62085621
   0.24893657  1.05635754  0.92757852
   0.43034187  0.92691929 -0.59032486
   0.29180891  1.10421743  0.04464264
   0.68037744  0.32813930  0.86168626
   0.59834306  0.64092108  0.62139500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822648    0.281158   -0.107992
    -0.000000   10.036960    0.131880
    -0.000000    0.000000   14.243784
   Si   O    H 
    32    64    10
Direct configuration=  3139
   0.18206872  0.18469828  0.00850675
   0.35140703  0.12281093  0.38154040
   0.16616599  0.43974061  0.11908621
   0.41778004  0.34185863  0.24256229
   0.07072592  0.12731945  0.48511408
   0.44023327  0.12414312  0.83696866
   0.16603518  0.36970000  0.58776304
   0.38169305  0.38252894  0.74672198
   0.14982375  0.70228864  0.00011112
   0.42626238  0.59369005  0.36862543
   0.09208951  0.93539801  0.14212654
   0.32399020  0.84473817  0.25784087
   0.15772676  0.55395070  0.48292720
   0.35382589  0.64340129  0.83855064
   0.12686872  0.84888862  0.58915175
   0.40960102  0.96478560  0.66761866
   0.63758372  0.13936938  0.98186939
   0.82984021  0.13835728  0.33477544
   0.62204108  0.40301675  0.07989527
   0.89879783  0.31217628  0.15532366
   0.61606243  0.17191691  0.48519892
   0.92052660  0.14322349  0.88180175
   0.62320601  0.42434346  0.61928770
   0.78689259  0.37786575  0.80791033
   0.59188491  0.67224821 -0.02817493
   0.91044503  0.57812201  0.36797831
   0.55976475  0.88221318  0.13073354
   0.83835512  0.84443426  0.24076190
   0.68518170  0.68089137  0.47342861
   0.86584077  0.66895991  0.88535395
   0.69605080  0.91006721  0.60880401
   0.90611712  0.89914285  0.75010318
   0.12540703  0.08380902  0.15106443
   0.39443427  0.18305686  0.28180526
   0.17139317  0.35386410  0.02379570
   0.41661367  0.43895421  0.32911179
   0.55522041  0.33613471  0.17475298
   0.30395970  0.38945189  0.17101422
   0.19414510  0.14349659  0.40743503
  -0.04347003  0.15229612  0.40640870
   0.06114835 -0.02737855  0.52166828
   0.47650926  0.24683573  0.77150857
   0.08805885  0.23206045  0.56622614
   0.36586829  0.47401576  0.83729303
   0.47309304  0.45513727  0.66638883
   0.24029652  0.34293872  0.69386591
   0.28177047  0.16951739 -0.11371996
   0.04663372  0.14358006  0.95146275
   0.14756251  0.58698235  0.07872187
   0.38604714  0.69737073  0.27986396
   0.14974259  0.83698290  0.05413934
   0.37119068  0.95089721  0.35006077
   0.40761478  0.91978336  0.17640557
   0.15741647  0.84951280  0.24100519
   0.32482169  0.62135770  0.45210812
   0.08017595  0.57621491  0.38191663
   0.27390677  0.41679781  0.50988509
   0.28373100  0.71171107  0.75080290
   0.13046149  0.71078759  0.54087879
   0.38900524  1.00108206  0.77679484
   0.54240633  0.87051756  0.64838899
   0.27275135  0.91677526  0.62289375
   0.28327494  0.68290697 -0.06132392
   0.00874537  0.69173313  0.93136649
   0.61558267  0.03910178  0.09935948
   0.82916933  0.20586477  0.22740332
   0.60870588  0.29692659 -0.00323707
   0.84894540  0.44552817  0.33814595
   0.03427730  0.38800516  0.18204914
   0.79153928  0.42724783  0.10918156
   0.69059038  0.19323289  0.38411141
   0.46270034  0.14699239  0.46196964
   0.68219183  0.05180561  0.55150306
   0.91483188  0.28150372  0.82584017
   0.61739828  0.32507178  0.53123746
   0.84898854  0.53381469  0.83095561
   1.05482605  0.49190547  0.57348739
   0.73980706  0.38244593  0.69412925
   0.77417965  0.11088574  0.92823499
   0.51845921  0.07734887  0.93005042
   0.55679036  0.54151150  0.04302770
   0.89661428  0.70924135  0.28897448
   0.52435159  0.80624223  0.03276026
   0.80930790  0.97711008  0.30572733
   0.92954598  0.88413917  0.15339334
   0.67392537  0.84263587  0.20800386
   0.84685001  0.64037985  0.46122114
   0.58228171  0.60455426  0.40409284
   0.64259842  0.57892294  0.57589901
   0.83355830  0.78366718  0.80778382
   0.64752596  0.83292698  0.48172683
   0.96835097  1.02726280  0.80897718
   1.01589679  0.83681686  0.68099706
   0.77111350  0.96482846  0.70707331
   0.76026248  0.67839452  0.97959480
   0.51148833  0.66360146  0.87269500
   0.80074549  0.80443504  0.59237413
   0.46199419  0.79962832  0.52837825
   0.91227238  0.21864113  0.07038224
   0.67799174  1.05215353  0.15873358
   0.44131677  0.08781554  0.62107594
   0.24021621  1.03185379  0.93779928
   0.42119196  0.91651161 -0.59329783
   0.28729997  1.09902943  0.04141514
   0.67553896  0.32965215  0.86412749
   0.59426045  0.64402825  0.61867043
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826946    0.276588   -0.108187
    -0.000000   10.037835    0.132750
    -0.000000    0.000000   14.245056
   Si   O    H 
    32    64    10
Direct configuration=  3140
   0.18199251  0.18409893  0.00969739
   0.35233713  0.12309722  0.38202349
   0.16564061  0.43948851  0.11907760
   0.41681100  0.34340808  0.24088403
   0.06941245  0.12796042  0.48596940
   0.43991350  0.12315637  0.83681845
   0.16520286  0.37007911  0.58778868
   0.38233970  0.38201222  0.74700916
   0.15039872  0.70044646  0.00046659
   0.42706564  0.59235151  0.36987228
   0.09203149  0.93512895  0.14279348
   0.32336600  0.84694169  0.25837549
   0.16001336  0.55590592  0.48289873
   0.35462161  0.64322337  0.83893664
   0.12697223  0.84992862  0.58936863
   0.40770941  0.96524030  0.66704521
   0.63737905  0.13934021  0.98175328
   0.82958251  0.13871768  0.33485504
   0.62325754  0.40445295  0.07997121
   0.89900484  0.31145468  0.15411690
   0.61551926  0.17137682  0.48499342
   0.92035863  0.14419510  0.88060200
   0.62293791  0.42631450  0.62049096
   0.78744094  0.37748743  0.80777933
   0.59043298  0.67285883 -0.02862766
   0.91029776  0.57842448  0.36836493
   0.56006387  0.88024938  0.13129340
   0.83750713  0.84662695  0.24069175
   0.68730072  0.68069535  0.47489406
   0.86640896  0.67045798  0.88560096
   0.69680259  0.90994996  0.60814237
   0.90676085  0.89882892  0.75031223
   0.12587155  0.08538463  0.15043776
   0.39658376  0.18227368  0.28215451
   0.17195352  0.35242473  0.02342718
   0.41887756  0.43983233  0.32814802
   0.55634589  0.33599714  0.17502203
   0.30366224  0.39028732  0.17167257
   0.19546477  0.14544824  0.40702918
  -0.04256982  0.15351794  0.40718985
   0.06062790 -0.02780534  0.52202323
   0.47589840  0.24707803  0.77056411
   0.08781134  0.23288341  0.56584701
   0.36585193  0.47433670  0.83771146
   0.47403886  0.45508435  0.66727277
   0.23993793  0.34377057  0.69362324
   0.28234378  0.16697811 -0.11354276
   0.04818360  0.14444678  0.95199711
   0.15075476  0.58630770  0.07852081
   0.38565375  0.69473019  0.27941009
   0.15197082  0.83816397  0.05461593
   0.37050399  0.95028212  0.34901186
   0.40806363  0.91875330  0.17474903
   0.15780924  0.85110443  0.24075639
   0.32265641  0.62042755  0.45079752
   0.08173574  0.57503032  0.38136029
   0.27278593  0.41606043  0.50920136
   0.28405195  0.71240044  0.75080803
   0.12995821  0.70939524  0.54209692
   0.38947445  1.00076205  0.77677330
   0.54320384  0.87144597  0.65035478
   0.27179386  0.91734234  0.62286623
   0.28368031  0.68184420 -0.06054768
   0.00988881  0.69270219  0.93224211
   0.61696305  0.04061546  0.09761340
   0.82792064  0.20504359  0.22794980
   0.60973016  0.29575094 -0.00378950
   0.84913091  0.44467947  0.33829891
   0.03419384  0.38656146  0.18256924
   0.79209954  0.42910524  0.10872932
   0.69301295  0.19340287  0.38352742
   0.46267920  0.14722490  0.46204289
   0.68232091  0.05207187  0.55200882
   0.91495711  0.28236602  0.82682216
   0.61752258  0.32426081  0.52996230
   0.84974619  0.53387410  0.83170019
   1.05561721  0.49174821  0.57323624
   0.74123911  0.38262562  0.69446730
   0.77281821  0.10935234  0.92823963
   0.51709369  0.07750882  0.92955836
   0.55732646  0.54313640  0.04305125
   0.89811207  0.70826391  0.28899813
   0.52466198  0.80683260  0.03179693
   0.80925554  0.97850880  0.30516935
   0.93014200  0.88540672  0.15337400
   0.67506474  0.84018184  0.20938740
   0.84596262  0.63997433  0.46038974
   0.58301167  0.60433888  0.40361813
   0.64387029  0.58040979  0.57588471
   0.83531552  0.78445159  0.80920672
   0.64707867  0.83396003  0.48115199
   0.96801187  1.02798628  0.80870086
   1.01835141  0.83503526  0.68052513
   0.77009625  0.96624924  0.70737907
   0.75971714  0.67778049  0.97952184
   0.51218686  0.66163765  0.87342224
   0.80151088  0.80656871  0.59766192
   0.47258478  0.78739994  0.53204686
   0.91375027  0.22618233  0.06028044
   0.68094848  1.05381068  0.15567912
   0.44801988  0.09101164  0.61980432
   0.23521945  1.01776664  0.94482399
   0.41518816  0.90644715 -0.59575345
   0.29035582  1.08564590  0.03906365
   0.66949495  0.33339340  0.86498704
   0.58980667  0.64054029  0.61287600
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831153    0.272283   -0.107669
    -0.000000   10.038462    0.134180
    -0.000000    0.000000   14.246280
   Si   O    H 
    32    64    10
Direct configuration=  3141
   0.18199455  0.18337679  0.01111451
   0.35277383  0.12390820  0.38243016
   0.16452366  0.43915279  0.11909031
   0.41606933  0.34479162  0.23922543
   0.06856134  0.12778345  0.48664897
   0.43893133  0.12226469  0.83669402
   0.16386574  0.37040763  0.58836847
   0.38274897  0.38177415  0.74689575
   0.15055662  0.69920671  0.00050960
   0.42791111  0.59105359  0.37053209
   0.09283143  0.93432000  0.14333237
   0.32290031  0.84912352  0.25908535
   0.16225074  0.55833150  0.48305628
   0.35535005  0.64292226  0.83961413
   0.12685553  0.85145968  0.58972723
   0.40618227  0.96610209  0.66685360
   0.63749707  0.14009753  0.98203078
   0.82918692  0.13874832  0.33503857
   0.62429244  0.40585592  0.07998099
   0.89953992  0.31065017  0.15291545
   0.61523136  0.17085766  0.48499590
   0.92044700  0.14413456  0.87951228
   0.62225419  0.42799607  0.62114976
   0.78792199  0.37737150  0.80769648
   0.58902930  0.67293192 -0.02853071
   0.90994565  0.57854940  0.36865665
   0.56007426  0.87880650  0.13192699
   0.83680562  0.84850236  0.24138392
   0.68883085  0.68012748  0.47618255
   0.86642515  0.67153170  0.88572524
   0.69670962  0.91006878  0.60797907
   0.90722011  0.89890736  0.75033253
   0.12658624  0.08736899  0.14926334
   0.39896432  0.18222613  0.28229042
   0.17236375  0.35094945  0.02316011
   0.42197999  0.44065156  0.32751292
   0.55741794  0.33612685  0.17529037
   0.30400676  0.39068798  0.17248224
   0.19696589  0.14696664  0.40696986
  -0.04305785  0.15463308  0.40781085
   0.06000109 -0.02824280  0.52179109
   0.47610202  0.24779234  0.77022745
   0.08820566  0.23408284  0.56545554
   0.36568998  0.47500534  0.83831630
   0.47543414  0.45507363  0.66775975
   0.24018874  0.34424527  0.69352342
   0.28314900  0.16448691 -0.11269097
   0.04969779  0.14624076  0.95279438
   0.15340055  0.58628070  0.07848609
   0.38496268  0.69185417  0.27917649
   0.15392955  0.84002116  0.05506844
   0.37043013  0.94875736  0.34796169
   0.40778238  0.91733927  0.17359103
   0.15856614  0.85231532  0.24023081
   0.32051081  0.62011347  0.44984267
   0.08255819  0.57382377  0.38094532
   0.27149518  0.41569115  0.50835326
   0.28382234  0.71312080  0.75127066
   0.12961271  0.70716467  0.54298561
   0.39022755  1.00108696  0.77724209
   0.54410687  0.87209856  0.65131286
   0.27070921  0.91678464  0.62314930
   0.28381027  0.68048397 -0.06027008
   0.01156461  0.69383670  0.93361477
   0.61889103  0.04184616  0.09611295
   0.82673125  0.20400308  0.22816931
   0.61090514  0.29398757 -0.00453624
   0.84911515  0.44363890  0.33852274
   0.03479200  0.38563175  0.18324218
   0.79232211  0.43085092  0.10830450
   0.69447556  0.19342970  0.38287554
   0.46196197  0.14706636  0.46154562
   0.68257938  0.05227642  0.55246347
   0.91667444  0.28272697  0.82789765
   0.61833204  0.32340014  0.52930606
   0.85101077  0.53398422  0.83252378
   1.05584597  0.49228367  0.57224143
   0.74217801  0.38269715  0.69496690
   0.77121266  0.10822990  0.92822872
   0.51521123  0.07738060  0.92922845
   0.55787526  0.54529070  0.04296570
   0.89945075  0.70806875  0.28942029
   0.52576105  0.80747489  0.03066661
   0.80952666  0.97919536  0.30510061
   0.93023036  0.88685919  0.15295226
   0.67587970  0.83824128  0.21042888
   0.84468076  0.64001727  0.45961534
   0.58337047  0.60472581  0.40427295
   0.64498931  0.58162369  0.57556357
   0.83746657  0.78622047  0.80980298
   0.64704190  0.83536756  0.48086350
   0.96741684  1.02748485  0.80829168
   1.02015018  0.83362100  0.67975171
   0.76887855  0.96778264  0.70703032
   0.75911742  0.67723082  0.97910655
   0.51326924  0.65953700  0.87345507
   0.80366728  0.80605311  0.60295557
   0.48300307  0.77375280  0.53313394
   0.91702410  0.23745456  0.05639805
   0.67586197  1.05678258  0.14888631
   0.45521675  0.09290996  0.62083101
   0.23522641  1.01183592  0.94839319
   0.40993353  0.89581635 -0.59678091
   0.29630634  1.07271118  0.03901058
   0.66588060  0.34115642  0.86425915
   0.57993233  0.63990795  0.61170259
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835028    0.267867   -0.107200
    -0.000000   10.039090    0.135541
    -0.000000    0.000000   14.247761
   Si   O    H 
    32    64    10
Direct configuration=  3142
   0.18209241  0.18290453  0.01190861
   0.35266078  0.12482002  0.38282205
   0.16363827  0.43809130  0.11891308
   0.41621058  0.34545210  0.23837428
   0.06804741  0.12713462  0.48693378
   0.43709986  0.12056689  0.83642903
   0.16273072  0.37046695  0.58875490
   0.38246098  0.38115663  0.74669042
   0.14997792  0.69866034  0.00046892
   0.42855013  0.58980682  0.37103724
   0.09380728  0.93354634  0.14397250
   0.32311547  0.85092891  0.25919586
   0.16447809  0.56071089  0.48362611
   0.35633412  0.64205217  0.84015711
   0.12684257  0.85211966  0.59004352
   0.40471700  0.96638071  0.66672647
   0.63786584  0.14065356  0.98206580
   0.82840999  0.13892522  0.33517085
   0.62584735  0.40697365  0.08000114
   0.90008324  0.31026760  0.15141827
   0.61537794  0.17065228  0.48534979
   0.92093850  0.14303039  0.87830862
   0.62150182  0.42948454  0.62184968
   0.78824827  0.37842486  0.80721764
   0.58821444  0.67308417 -0.02789194
   0.91000782  0.57844075  0.36849772
   0.55971892  0.87670988  0.13213268
   0.83619777  0.84962803  0.24243408
   0.69039126  0.67876738  0.47705252
   0.86663651  0.67262904  0.88577655
   0.69720470  0.91042333  0.60775790
   0.90822803  0.89916161  0.75054282
   0.12726724  0.08947514  0.14747320
   0.40090846  0.18224879  0.28250427
   0.17283214  0.34973333  0.02256550
   0.42528077  0.44124240  0.32746233
   0.55810786  0.33668070  0.17527326
   0.30292179  0.39188560  0.17286976
   0.19830339  0.14811205  0.40741933
  -0.04472735  0.15546938  0.40792037
   0.05950608 -0.02822634  0.52161814
   0.47627943  0.24877372  0.76958057
   0.08919972  0.23515956  0.56567245
   0.36524067  0.47547087  0.83854309
   0.47685083  0.45464813  0.66787760
   0.24080671  0.34460862  0.69313620
   0.28424627  0.16174298 -0.11136853
   0.05107284  0.14796061  0.95327588
   0.15516925  0.58512219  0.07831151
   0.38335048  0.69020173  0.27938122
   0.15508657  0.84209362  0.05564118
   0.36960082  0.94781875  0.34735862
   0.40791988  0.91649048  0.17237875
   0.16038021  0.85315371  0.23935821
   0.31858903  0.62034182  0.44879381
   0.08334009  0.57283154  0.38117620
   0.27094239  0.41553237  0.50729874
   0.28406929  0.71343806  0.75139973
   0.12893948  0.70540954  0.54410878
   0.39180664  1.00112038  0.77723248
   0.54460368  0.87281651  0.65230654
   0.26953303  0.91555419  0.62274570
   0.28403878  0.67951468 -0.06046760
   0.01309163  0.69477064  0.93505797
   0.62028430  0.04298444  0.09403097
   0.82668239  0.20301937  0.22803467
   0.61216623  0.29249488 -0.00483701
   0.84905811  0.44235769  0.33880628
   0.03622751  0.38483843  0.18383978
   0.79122826  0.43172952  0.10823453
   0.69551109  0.19295540  0.38258143
   0.46143999  0.14698743  0.46113763
   0.68207891  0.05305989  0.55234519
   0.91812792  0.28358036  0.82872429
   0.61912313  0.32256858  0.52879986
   0.85155615  0.53282018  0.83309273
   1.05582495  0.49309616  0.57108819
   0.74338114  0.38272711  0.69561270
   0.77003428  0.10772166  0.92790473
   0.51482982  0.07610033  0.92908718
   0.55788190  0.54629614  0.04268687
   0.90028416  0.70771977  0.28981118
   0.52714489  0.80714579  0.02955015
   0.81030114  0.98040422  0.30505453
   0.93092566  0.88901769  0.15275096
   0.67684460  0.83658714  0.21103418
   0.84316672  0.64071482  0.45928394
   0.58328475  0.60520981  0.40484662
   0.64585449  0.58321198  0.57505259
   0.83959931  0.78800731  0.81018699
   0.64600867  0.83674443  0.48066579
   0.96719593  1.02698674  0.80822415
   1.02172735  0.83302442  0.67967580
   0.76775196  0.96985916  0.70652881
   0.75758845  0.67610107  0.97810545
   0.51477322  0.65756116  0.87310257
   0.80689123  0.80154585  0.60704642
   0.49490665  0.75923733  0.53299538
   0.91528623  0.24913537  0.05642447
   0.68026313  1.06195793  0.14851419
   0.46227625  0.09264197  0.62365122
   0.23765735  1.01067034  0.95116476
   0.40487764  0.88778883 -0.59789536
   0.29942409  1.06487441  0.03870917
   0.66467250  0.34857916  0.86016531
   0.57285488  0.63454942  0.60865871
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839008    0.263312   -0.107232
    -0.000000   10.039758    0.137304
    -0.000000    0.000000   14.248631
   Si   O    H 
    32    64    10
Direct configuration=  3143
   0.18231553  0.18240832  0.01234510
   0.35295523  0.12600547  0.38345656
   0.16233196  0.43693219  0.11849552
   0.41677915  0.34534464  0.23791663
   0.06816517  0.12692995  0.48690291
   0.43484803  0.11925839  0.83652489
   0.16146348  0.37118408  0.58950934
   0.38170672  0.38061506  0.74636104
   0.14940959  0.69890497  0.00038340
   0.42929773  0.58879535  0.37144217
   0.09498510  0.93247908  0.14504437
   0.32350669  0.85171351  0.25920657
   0.16677886  0.56364149  0.48341002
   0.35680015  0.64124963  0.84077382
   0.12672050  0.85278056  0.59035651
   0.40381366  0.96693302  0.66676486
   0.63799433  0.14043930  0.98151677
   0.82767704  0.13923673  0.33498661
   0.62765471  0.40695359  0.08024498
   0.90059352  0.30934018  0.15003709
   0.61571329  0.17071232  0.48595078
   0.92180119  0.14184432  0.87711152
   0.62099038  0.43024301  0.62207539
   0.78818747  0.38020959  0.80743864
   0.58673664  0.67279321 -0.02722007
   0.91068427  0.57875936  0.36801618
   0.55912021  0.87501874  0.13199291
   0.83567631  0.85051363  0.24297498
   0.69111909  0.67744741  0.47798096
   0.86728865  0.67328655  0.88607981
   0.69777630  0.91072561  0.60769268
   0.90918305  0.89970203  0.75077393
   0.12767689  0.09123919  0.14538268
   0.40288484  0.18300189  0.28270023
   0.17366808  0.34810302  0.02195940
   0.42910196  0.44213205  0.32774922
   0.55789608  0.33734578  0.17579888
   0.30102100  0.39417461  0.17297830
   0.19928395  0.14879883  0.40863632
  -0.04619466  0.15597351  0.40766114
   0.05875628 -0.02746497  0.52138737
   0.47639981  0.24933216  0.76891341
   0.08994294  0.23516740  0.56624988
   0.36539492  0.47594630  0.83904049
   0.47809740  0.45453355  0.66841583
   0.24124426  0.34471692  0.69288662
   0.28456140  0.15930240 -0.10993542
   0.05148111  0.14938236  0.95335211
   0.15771713  0.58466753  0.07860608
   0.38162917  0.68885803  0.27925534
   0.15538787  0.84440417  0.05628460
   0.36956121  0.94651418  0.34739666
   0.40812350  0.91500626  0.17192222
   0.16264426  0.85454665  0.23880074
   0.31704730  0.61998112  0.44794808
   0.08436432  0.57164868  0.38176924
   0.27026925  0.41477864  0.50638823
   0.28453527  0.71355570  0.75200267
   0.12855548  0.70416154  0.54461569
   0.39331106  1.00183752  0.77699797
   0.54499193  0.87332046  0.65260784
   0.26786922  0.91412867  0.62210603
   0.28339577  0.67861245 -0.06015290
   0.01393096  0.69630646  0.93641003
   0.62142280  0.04426950  0.09270998
   0.82752141  0.20273762  0.22730563
   0.61317138  0.29141165 -0.00441767
   0.84913556  0.44131537  0.33859482
   0.03728586  0.38373551  0.18485554
   0.79035989  0.43203426  0.10826519
   0.69560176  0.19291542  0.38297706
   0.46157158  0.14657072  0.46111236
   0.68183236  0.05441859  0.55193664
   0.91915990  0.28404258  0.82904617
   0.61993200  0.32256666  0.52852857
   0.85147535  0.53101359  0.83351724
   1.05631950  0.49424191  0.57033426
   0.74395583  0.38338868  0.69606144
   0.76953671  0.10742621  0.92781159
   0.51461095  0.07452375  0.92876627
   0.55702658  0.54708520  0.04246657
   0.90070105  0.70710563  0.28969427
   0.52868737  0.80708934  0.02886033
   0.81171675  0.98187593  0.30582637
   0.93128073  0.89035172  0.15223045
   0.67669647  0.83509156  0.21152299
   0.84152746  0.64203408  0.45886381
   0.58274005  0.60565064  0.40520708
   0.64711665  0.58486364  0.57499446
   0.84129830  0.78942478  0.81075139
   0.64535869  0.83725202  0.48068114
   0.96831319  1.02702673  0.80779246
   1.02307355  0.83298011  0.67987923
   0.76672161  0.97108501  0.70599285
   0.75619785  0.67485144  0.97670990
   0.51629357  0.65524214  0.87293873
   0.80817896  0.79698220  0.60954762
   0.50411794  0.74759726  0.53359816
   0.91500898  0.25777703  0.06118089
   0.68473725  1.06843080  0.14708973
   0.46315200  0.09060569  0.62705811
   0.24203786  1.01502750  0.95349326
   0.39655069  0.88754570 -0.59771603
   0.29782148  1.05948739  0.03558828
   0.66552341  0.35471830  0.85524534
   0.56921776  0.63218885  0.60417487
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843037    0.258229   -0.106996
    -0.000000   10.040248    0.139244
    -0.000000    0.000000   14.249159
   Si   O    H 
    32    64    10
Direct configuration=  3144
   0.18251164  0.18135103  0.01262287
   0.35321445  0.12742642  0.38360721
   0.16123565  0.43543662  0.11827209
   0.41796899  0.34501965  0.23740493
   0.06890378  0.12684337  0.48664766
   0.43236554  0.11927256  0.83693020
   0.15991135  0.37144400  0.59024019
   0.38094955  0.38039540  0.74600103
   0.14841608  0.70001586  0.00044140
   0.43043787  0.58753300  0.37150851
   0.09621067  0.93155908  0.14579938
   0.32408152  0.85174748  0.25920567
   0.16934292  0.56662848  0.48344253
   0.35774014  0.63997089  0.84118264
   0.12633586  0.85325568  0.59062710
   0.40316419  0.96732854  0.66690013
   0.63838172  0.13911267  0.98095343
   0.82753636  0.13935935  0.33470304
   0.62933028  0.40712035  0.08088238
   0.90079913  0.30801495  0.14866473
   0.61584032  0.17082288  0.48640299
   0.92277830  0.14083297  0.87639259
   0.62103011  0.42998915  0.62253424
   0.78888180  0.38206863  0.80747013
   0.58549022  0.67248603 -0.02585187
   0.91143057  0.57845697  0.36720902
   0.55905303  0.87343668  0.13198973
   0.83559828  0.85035843  0.24340725
   0.69110075  0.67622991  0.47869049
   0.86763482  0.67331074  0.88644148
   0.69806378  0.91152369  0.60758873
   0.91044319  0.90035402  0.75041452
   0.12869520  0.09273807  0.14319032
   0.40410855  0.18344897  0.28310502
   0.17430847  0.34651672  0.02152856
   0.43271513  0.44346889  0.32776522
   0.55795635  0.33780534  0.17636862
   0.29840821  0.39639838  0.17249035
   0.20027532  0.14884274  0.41018367
  -0.04762462  0.15636738  0.40725019
   0.05825440 -0.02645250  0.52047674
   0.47600492  0.24904595  0.76873926
   0.09149047  0.23459386  0.56671125
   0.36553270  0.47624259  0.83940210
   0.47963277  0.45489174  0.66871232
   0.24254899  0.34499101  0.69279433
   0.28450782  0.15666038 -0.10836220
   0.05091957  0.15030459  0.95301441
   0.15961678  0.58378081  0.07967158
   0.37968821  0.68761885  0.27928286
   0.15702880  0.84681824  0.05707449
   0.36973567  0.94526400  0.34799999
   0.40874315  0.91358550  0.17126890
   0.16468915  0.85572065  0.23828753
   0.31580342  0.61987316  0.44664170
   0.08528879  0.57034968  0.38275250
   0.26922323  0.41361056  0.50660014
   0.28402077  0.71213074  0.75284573
   0.12860130  0.70421140  0.54454171
   0.39421710  1.00167709  0.77621687
   0.54469766  0.87369085  0.65258681
   0.26684448  0.91331245  0.62193770
   0.28276828  0.67801695 -0.05932884
   0.01476272  0.69768058  0.93748471
   0.62283177  0.04630306  0.09077316
   0.82834026  0.20303485  0.22657460
   0.61479982  0.29072501 -0.00347192
   0.84943709  0.44017777  0.33792636
   0.03847051  0.38336495  0.18512002
   0.78911726  0.43205652  0.10827771
   0.69527118  0.19274725  0.38367019
   0.46194047  0.14594580  0.46119426
   0.68094705  0.05539036  0.55134301
   0.91962090  0.28452499  0.82961126
   0.62061424  0.32227846  0.52879095
   0.85151361  0.52859897  0.83415730
   1.05575896  0.49566319  0.56980375
   0.74514194  0.38436730  0.69635058
   0.77036069  0.10712288  0.92715208
   0.51381768  0.07312914  0.92873959
   0.55595410  0.54764023  0.04216415
   0.90056302  0.70723515  0.28896175
   0.53075464  0.80669725  0.02861904
   0.81338016  0.98337577  0.30633305
   0.93282030  0.89091041  0.15120553
   0.67589147  0.83352186  0.21209422
   0.84154652  0.64339738  0.45900690
   0.58229846  0.60593036  0.40543769
   0.64798760  0.58531737  0.57511660
   0.84189294  0.79156249  0.81169166
   0.64551019  0.83664984  0.48115645
   0.96952664  1.02757330  0.80727177
   1.02396264  0.83407195  0.68011318
   0.76563052  0.97092935  0.70538375
   0.75485861  0.67345610  0.97538149
   0.51844346  0.65330233  0.87314338
   0.80824095  0.79592377  0.60954333
   0.51358298  0.74257374  0.53174194
   0.91327336  0.26168286  0.06033600
   0.68725681  1.07570956  0.14382802
   0.45930538  0.08602620  0.62887257
   0.25215549  1.02661914  0.95578246
   0.38861145  0.88860369 -0.59874535
   0.29135850  1.05377803  0.02812380
   0.66390650  0.36100780  0.85245922
   0.56531935  0.63381563  0.60278893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.847457    0.253202   -0.106732
    -0.000000   10.040582    0.141618
    -0.000000    0.000000   14.249306
   Si   O    H 
    32    64    10
Direct configuration=  3145
   0.18276004  0.18061723  0.01312759
   0.35349805  0.12906635  0.38354602
   0.16014037  0.43412197  0.11761796
   0.41924394  0.34368078  0.23770864
   0.07016083  0.12670582  0.48592854
   0.42979310  0.12029881  0.83729546
   0.15904968  0.37151849  0.59067591
   0.38009921  0.38110437  0.74574238
   0.14725030  0.70136141  0.00076769
   0.43040134  0.58603664  0.37129429
   0.09692345  0.93103887  0.14640623
   0.32418552  0.85121216  0.25908205
   0.17112823  0.56964939  0.48351624
   0.35803717  0.63873094  0.84143984
   0.12568419  0.85315750  0.59097360
   0.40350129  0.96727204  0.66674256
   0.63840278  0.13736374  0.98035035
   0.82748506  0.13957402  0.33464213
   0.63098399  0.40689249  0.08111371
   0.90074401  0.30710354  0.14799991
   0.61648235  0.17172090  0.48664956
   0.92394562  0.13948705  0.87570805
   0.62137659  0.42943309  0.62253813
   0.78991716  0.38471589  0.80750756
   0.58470213  0.67211730 -0.02475256
   0.91303009  0.57737858  0.36590760
   0.55806569  0.87220718  0.13210371
   0.83503038  0.85007289  0.24371313
   0.69058502  0.67554514  0.47918629
   0.86798967  0.67365664  0.88656754
   0.69863291  0.91258511  0.60767941
   0.91147979  0.90081806  0.75013393
   0.13048776  0.09357078  0.14068714
   0.40537942  0.18456115  0.28370490
   0.17479240  0.34389502  0.02080571
   0.43552660  0.44467511  0.32733052
   0.55799138  0.33823608  0.17665760
   0.29562675  0.39854709  0.17217164
   0.20006012  0.14938358  0.41158427
  -0.04892578  0.15669728  0.40679368
   0.05739082 -0.02592484  0.51974265
   0.47583261  0.24801009  0.76888915
   0.09241273  0.23338915  0.56735246
   0.36536950  0.47662766  0.83984655
   0.48102264  0.45491831  0.66950438
   0.24376312  0.34563764  0.69278181
   0.28485116  0.15408383 -0.10648959
   0.04946630  0.15039173  0.95253113
   0.16126985  0.58367446  0.08099106
   0.37886179  0.68649607  0.27930619
   0.15922094  0.84920789  0.05787784
   0.37028202  0.94482963  0.34866919
   0.40961487  0.91311722  0.17066026
   0.16687411  0.85663710  0.23779178
   0.31451687  0.62009758  0.44545106
   0.08574791  0.56895984  0.38331347
   0.26728912  0.41265410  0.50715196
   0.28345625  0.71048274  0.75314820
   0.12838428  0.70433977  0.54397822
   0.39448021  1.00136088  0.77556652
   0.54424420  0.87362891  0.65239418
   0.26623103  0.91306101  0.62180204
   0.28218388  0.67751409 -0.05823517
   0.01562950  0.69848182  0.93847452
   0.62351427  0.04777819  0.08963938
   0.82940714  0.20379934  0.22625157
   0.61714857  0.29128166 -0.00242550
   0.84948112  0.43873160  0.33676782
   0.04024912  0.38332832  0.18540376
   0.78885148  0.43164309  0.10899628
   0.69370254  0.19176191  0.38456248
   0.46216522  0.14534294  0.46138123
   0.67895308  0.05576535  0.55060184
   0.91974627  0.28458673  0.83011403
   0.62094291  0.32202782  0.52913739
   0.85130269  0.52680828  0.83471174
   1.05528423  0.49642734  0.56900145
   0.74601468  0.38458204  0.69706501
   0.77222554  0.10683729  0.92642656
   0.51301988  0.07136105  0.92898730
   0.55445000  0.54730301  0.04236860
   0.90076944  0.70754107  0.28822561
   0.53274075  0.80590838  0.02892107
   0.81508464  0.98426976  0.30644590
   0.93415849  0.89192276  0.15072537
   0.67458483  0.83153932  0.21256503
   0.84280509  0.64434375  0.45916799
   0.58209417  0.60609748  0.40538643
   0.64886340  0.58610815  0.57559971
   0.84249895  0.79307402  0.81243205
   0.64537161  0.83541945  0.48128250
   0.97057334  1.02713498  0.80671061
   1.02411251  0.83469648  0.68069476
   0.76528126  0.97070821  0.70461459
   0.75405099  0.67247213  0.97411864
   0.52003162  0.65184750  0.87277280
   0.80151472  0.79376464  0.60783658
   0.52060682  0.74148247  0.52997868
   0.91504372  0.25639961  0.05283715
   0.68468403  1.08324511  0.13824939
   0.45160245  0.08713353  0.62810173
   0.26654328  1.04213028  0.96023296
   0.38508670  0.88549848 -0.59147790
   0.28201570  1.04968376  0.01888037
   0.66025551  0.36448461  0.85128183
   0.56568152  0.63728200  0.59849718
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852062    0.248110   -0.106965
    -0.000000   10.040689    0.144250
    -0.000000    0.000000   14.249497
   Si   O    H 
    32    64    10
Direct configuration=  3146
   0.18274282  0.18052593  0.01353141
   0.35373146  0.13066011  0.38381396
   0.15912528  0.43296124  0.11723506
   0.42034485  0.34218614  0.23848561
   0.07124441  0.12709268  0.48482988
   0.42688534  0.12157996  0.83763327
   0.15903485  0.37143520  0.59088946
   0.37917735  0.38162315  0.74555980
   0.14699005  0.70329097  0.00082719
   0.43034221  0.58477523  0.37056432
   0.09697571  0.93090979  0.14714408
   0.32475978  0.85005766  0.25904146
   0.17279603  0.57226626  0.48342335
   0.35807413  0.63789863  0.84176791
   0.12515586  0.85218004  0.59098075
   0.40417807  0.96767607  0.66629623
   0.63790681  0.13617837  0.98042186
   0.82673387  0.13977010  0.33507963
   0.63197761  0.40679075  0.08170937
   0.90103316  0.30667778  0.14760001
   0.61697642  0.17265887  0.48662878
   0.92447371  0.13825712  0.87515134
   0.62180122  0.42839783  0.62223885
   0.79106609  0.38771807  0.80760407
   0.58378817  0.67119714 -0.02384457
   0.91484847  0.57644905  0.36465167
   0.55752591  0.87075584  0.13173263
   0.83453043  0.85021162  0.24401416
   0.68949267  0.67565127  0.47921427
   0.86800417  0.67344783  0.88681633
   0.69784860  0.91393994  0.60765449
   0.91212962  0.90195059  0.75003381
   0.13287614  0.09404378  0.13810335
   0.40614573  0.18604299  0.28423059
   0.17591369  0.34160950  0.01961690
   0.43786783  0.44471305  0.32594543
   0.55797743  0.34035766  0.17633807
   0.29408459  0.40032871  0.17184921
   0.20021508  0.15018877  0.41312973
  -0.04951336  0.15805062  0.40642723
   0.05651322 -0.02570815  0.51907194
   0.47643454  0.24723988  0.76913485
   0.09154741  0.23145289  0.56797887
   0.36558053  0.47737685  0.83986882
   0.48183190  0.45609980  0.67052627
   0.24451741  0.34690575  0.69247605
   0.28474864  0.15227160 -0.10447404
   0.04790000  0.15033785  0.95226951
   0.16186690  0.58453637  0.08231446
   0.37858111  0.68639507  0.27958155
   0.16046632  0.85139229  0.05833903
   0.37009575  0.94429783  0.34961826
   0.41105852  0.91372324  0.16993907
   0.16904964  0.85703054  0.23753912
   0.31337547  0.62042923  0.44384560
   0.08595478  0.56740874  0.38386850
   0.26532306  0.41089777  0.50776872
   0.28329824  0.70825719  0.75325258
   0.12908647  0.70469740  0.54329812
   0.39477558  1.00080178  0.77509044
   0.54410433  0.87321465  0.65143574
   0.26720297  0.91330446  0.62141621
   0.28116665  0.67745865 -0.05712989
   0.01643906  0.69873511  0.93883272
   0.62409061  0.04900425  0.08864298
   0.83131424  0.20575333  0.22559209
   0.61980316  0.29217999 -0.00101113
   0.84829363  0.43773433  0.33598154
   0.04162521  0.38285646  0.18556962
   0.78851313  0.43163442  0.10926418
   0.69172238  0.19060277  0.38535570
   0.46233195  0.14530305  0.46094892
   0.67753048  0.05605124  0.54996222
   0.91907016  0.28436037  0.83097950
   0.62064322  0.32256333  0.53040949
   0.85164837  0.52504431  0.83525229
   1.05554837  0.49751913  0.56829251
   0.74627042  0.38493741  0.69794081
   0.77426454  0.10605845  0.92544550
   0.51221710  0.06937818  0.92901875
   0.55245378  0.54605962  0.04257986
   0.90114172  0.70737134  0.28730953
   0.53413158  0.80603271  0.02902195
   0.81612670  0.98526330  0.30608719
   0.93537416  0.89216909  0.15076844
   0.67346446  0.82960844  0.21260801
   0.84419743  0.64503362  0.45904654
   0.58138053  0.60529673  0.40605642
   0.64972938  0.58742586  0.57657215
   0.84301192  0.79460450  0.81358173
   0.64467708  0.83425355  0.48104512
   0.97079915  1.02621805  0.80581313
   1.02420414  0.83532279  0.68106974
   0.76511590  0.97066735  0.70326261
   0.75329270  0.67090990  0.97258520
   0.52179690  0.65112280  0.87271054
   0.79147503  0.79433284  0.60719353
   0.52534119  0.74498213  0.52666711
   0.91884511  0.24730804  0.04527663
   0.68174138  1.09208823  0.13238183
   0.44257214  0.09233756  0.62587346
   0.28135652  1.05766429  0.96155124
   0.38129057  0.88781165 -0.58698785
   0.27338114  1.04259515  0.01481307
   0.65796724  0.36749852  0.85034979
   0.56509454  0.64324137  0.59636384
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857142    0.242743   -0.106804
    -0.000000   10.040812    0.146888
    -0.000000    0.000000   14.249957
   Si   O    H 
    32    64    10
Direct configuration=  3147
   0.18305046  0.18084249  0.01387191
   0.35349445  0.13244488  0.38348412
   0.15870050  0.43222598  0.11685265
   0.42092619  0.34071900  0.23876123
   0.07181530  0.12710740  0.48393532
   0.42399596  0.12282596  0.83801322
   0.15925299  0.37146497  0.59126265
   0.37830404  0.38272324  0.74562629
   0.14717934  0.70490766  0.00052251
   0.43040328  0.58415066  0.36957186
   0.09734667  0.93104661  0.14788122
   0.32554895  0.84909828  0.25884985
   0.17353917  0.57422914  0.48362473
   0.35763502  0.63727616  0.84193090
   0.12467707  0.85121066  0.59107385
   0.40506745  0.96819448  0.66550841
   0.63770929  0.13472650  0.98048220
   0.82620465  0.13994787  0.33569797
   0.63305510  0.40702133  0.08224370
   0.90115198  0.30621604  0.14692341
   0.61724245  0.17402495  0.48621795
   0.92532018  0.13713540  0.87519949
   0.62228533  0.42741446  0.62221247
   0.79242665  0.39045512  0.80787001
   0.58353334  0.66992616 -0.02325759
   0.91640513  0.57581335  0.36323112
   0.55754746  0.86921654  0.13113405
   0.83413899  0.85019730  0.24385710
   0.68834598  0.67594699  0.47897484
   0.86805888  0.67347357  0.88717384
   0.69661510  0.91564929  0.60753942
   0.91256270  0.90317433  0.74965635
   0.13426820  0.09462645  0.13529149
   0.40724118  0.18806165  0.28422810
   0.17720663  0.33916279  0.01824585
   0.44032155  0.44448192  0.32452590
   0.55792301  0.34244182  0.17604575
   0.29373704  0.40146878  0.17279928
   0.20064183  0.15070622  0.41419874
  -0.04970422  0.15894692  0.40596094
   0.05550317 -0.02575195  0.51866059
   0.47725642  0.24605558  0.76975534
   0.09091247  0.22962508  0.56851913
   0.36586435  0.47635211  0.83961327
   0.48220952  0.45766925  0.67148033
   0.24513272  0.34876071  0.69125723
   0.28424085  0.15088738 -0.10243401
   0.04625852  0.14959504  0.95204945
   0.16262570  0.58489842  0.08317979
   0.37829303  0.68720814  0.27947362
   0.16101020  0.85377234  0.05842194
   0.37030342  0.94301141  0.35089586
   0.41260511  0.91447454  0.16979765
   0.17051859  0.85800240  0.23723409
   0.31380778  0.62141862  0.44253166
   0.08576662  0.56546193  0.38417086
   0.26372961  0.40964642  0.50814488
   0.28398942  0.70671070  0.75328097
   0.13015247  0.70657129  0.54250010
   0.39537652  0.99993772  0.77460040
   0.54418980  0.87330962  0.65046103
   0.26866439  0.91435658  0.62133347
   0.28015172  0.67700333 -0.05680876
   0.01613529  0.69875609  0.93852150
   0.62418629  0.04922124  0.08782280
   0.83293959  0.20608350  0.22445609
   0.62294157  0.29346483  0.00005702
   0.84728760  0.43706296  0.33485457
   0.04232147  0.38230831  0.18600300
   0.78868553  0.43090490  0.10972509
   0.69034799  0.18968363  0.38632114
   0.46224188  0.14506171  0.46115630
   0.67595945  0.05522016  0.54958227
   0.91768787  0.28432113  0.83202157
   0.62052399  0.32301240  0.53169989
   0.85278529  0.52353708  0.83599175
   1.05553438  0.49864727  0.56742569
   0.74586479  0.38592733  0.69837552
   0.77652204  0.10598804  0.92412197
   0.51118446  0.06700227  0.92916308
   0.55050983  0.54506126  0.04282908
   0.90120478  0.70709344  0.28631121
   0.53692424  0.80639287  0.02945868
   0.81797565  0.98649567  0.30587851
   0.93575942  0.89248932  0.15052499
   0.67269351  0.82753916  0.21186465
   0.84455026  0.64554491  0.45916717
   0.58073152  0.60514431  0.40725635
   0.65082538  0.58950258  0.57801383
   0.84322713  0.79629768  0.81489555
   0.64387641  0.83286127  0.48073155
   0.97140906  1.02505432  0.80444222
   1.02317158  0.83667669  0.68153518
   0.76578766  0.97020465  0.70202765
   0.75189364  0.66947530  0.97092560
   0.52342591  0.64990292  0.87257451
   0.78339013  0.79314262  0.60785466
   0.52566762  0.75553251  0.52221626
   0.92066562  0.24039670  0.04229716
   0.68241233  1.10182011  0.13514957
   0.43224798  0.10566094  0.62368936
   0.29600600  1.07243016  0.95603784
   0.37561359  0.89264529 -0.58695786
   0.26353180  1.03321611  0.02031720
   0.65711480  0.36452241  0.84973986
   0.56677516  0.64843016  0.59460762
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862440    0.238004   -0.106325
    -0.000000   10.040883    0.149564
    -0.000000    0.000000   14.250416
   Si   O    H 
    32    64    10
Direct configuration=  3148
   0.18360030  0.18051589  0.01424271
   0.35285132  0.13368424  0.38295774
   0.15836034  0.43179358  0.11657549
   0.42118034  0.33998268  0.23931213
   0.07151546  0.12793457  0.48321021
   0.42167426  0.12423942  0.83864320
   0.16000592  0.37220643  0.59144438
   0.37732821  0.38321738  0.74621440
   0.14825871  0.70689606  0.00070835
   0.42994987  0.58398346  0.36850484
   0.09745600  0.93139961  0.14821955
   0.32692604  0.84755653  0.25840304
   0.17379894  0.57601599  0.48370738
   0.35730039  0.63688457  0.84216424
   0.12389203  0.85008906  0.59159667
   0.40631983  0.96869815  0.66460764
   0.63774171  0.13364640  0.98054506
   0.82571337  0.14069815  0.33616116
   0.63314436  0.40748354  0.08239665
   0.90096772  0.30570482  0.14586195
   0.61722597  0.17536119  0.48584600
   0.92647869  0.13639537  0.87539404
   0.62336914  0.42642617  0.62231664
   0.79304315  0.39296454  0.80781870
   0.58384470  0.66866262 -0.02315887
   0.91806722  0.57408709  0.36177619
   0.55786137  0.86837209  0.13084311
   0.83402161  0.85022442  0.24393557
   0.68753732  0.67590746  0.47864031
   0.86871763  0.67326612  0.88704963
   0.69596794  0.91726376  0.60730139
   0.91281557  0.90422939  0.74880188
   0.13527988  0.09428952  0.13332164
   0.40709439  0.18926980  0.28450002
   0.17859198  0.33710774  0.01730286
   0.44254105  0.44316694  0.32355422
   0.55801175  0.34498038  0.17543946
   0.29336436  0.40226762  0.17463166
   0.20207136  0.15138886  0.41489315
  -0.04926912  0.15972065  0.40628485
   0.05431643 -0.02586141  0.51852452
   0.47806232  0.24516116  0.77079625
   0.09028929  0.22825492  0.56906666
   0.36620878  0.47460756  0.83930188
   0.48275606  0.45934222  0.67277036
   0.24491168  0.35059988  0.69021472
   0.28438686  0.14938262 -0.10079573
   0.04508970  0.14800482  0.95181815
   0.16295798  0.58555110  0.08335774
   0.37804264  0.68898114  0.27885133
   0.16202042  0.85557628  0.05862721
   0.37018102  0.94149218  0.35239859
   0.41363812  0.91469632  0.16961294
   0.17141857  0.85830319  0.23784081
   0.31517015  0.62252063  0.44150062
   0.08464070  0.56368980  0.38474723
   0.26149034  0.40839598  0.50826552
   0.28583657  0.70615376  0.75374243
   0.13124036  0.70950673  0.54251512
   0.39604247  0.99936373  0.77420651
   0.54374052  0.87317170  0.64926125
   0.26970338  0.91565156  0.62145253
   0.27979025  0.67723947 -0.05702802
   0.01494784  0.69861574  0.93807058
   0.62450422  0.04888743  0.08794158
   0.83415582  0.20631297  0.22364942
   0.62582206  0.29505379  0.00097088
   0.84714990  0.43657927  0.33411620
   0.04302325  0.38179751  0.18593347
   0.78912407  0.42998083  0.11056569
   0.68924027  0.18905612  0.38684462
   0.46140960  0.14418727  0.46114681
   0.67519581  0.05461726  0.54986791
   0.91622033  0.28552901  0.83295647
   0.61941666  0.32367397  0.53350534
   0.85430160  0.52268112  0.83678507
   1.05565639  0.50032775  0.56676883
   0.74459473  0.38701852  0.69805744
   0.77833557  0.10536424  0.92296975
   0.51039005  0.06579218  0.92930913
   0.54905509  0.54422848  0.04300555
   0.90054957  0.70762562  0.28535650
   0.53915927  0.80780074  0.02984128
   0.82045143  0.98683767  0.30553537
   0.93603604  0.89296125  0.15081047
   0.67222136  0.82607468  0.21079272
   0.84431621  0.64533628  0.45872346
   0.58009265  0.60502355  0.40868530
   0.65173433  0.59199304  0.58000874
   0.84351108  0.79728081  0.81604636
   0.64369048  0.83126695  0.48045577
   0.97291494  1.02344381  0.80319499
   1.02207191  0.83788588  0.68195250
   0.76741245  0.97012816  0.70080046
   0.75050808  0.66836329  0.96967237
   0.52551189  0.64991352  0.87262720
   0.77618700  0.79254984  0.60503650
   0.52605680  0.77006634  0.51642117
   0.92542350  0.23714277  0.04555697
   0.67871424  1.10631143  0.13447455
   0.42198007  0.11686924  0.62563051
   0.30822656  1.08708753  0.94987519
   0.37347935  0.89953493 -0.59135370
   0.25499317  1.02890269  0.02875020
   0.65832525  0.35973374  0.85226949
   0.57040767  0.64922831  0.59733820
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867301    0.233994   -0.105923
    -0.000000   10.041093    0.151949
    -0.000000    0.000000   14.250603
   Si   O    H 
    32    64    10
Direct configuration=  3149
   0.18396991  0.17947308  0.01491410
   0.35212161  0.13442109  0.38259734
   0.15825011  0.43114102  0.11623046
   0.42115771  0.33936434  0.23938850
   0.07108184  0.12897097  0.48206357
   0.41991803  0.12539509  0.83904372
   0.16048344  0.37376167  0.59169109
   0.37683991  0.38336511  0.74677498
   0.14929934  0.70882513  0.00083673
   0.42967736  0.58384030  0.36722432
   0.09705373  0.93217369  0.14825454
   0.32841075  0.84538331  0.25808603
   0.17394344  0.57737443  0.48396158
   0.35663785  0.63676207  0.84255395
   0.12353331  0.84911724  0.59214979
   0.40780578  0.96940331  0.66314831
   0.63860754  0.13298982  0.98066019
   0.82561376  0.14183914  0.33643093
   0.63280431  0.40786144  0.08265790
   0.90071086  0.30587644  0.14465493
   0.61653263  0.17615646  0.48552881
   0.92758544  0.13536297  0.87562019
   0.62433297  0.42565094  0.62241257
   0.79331490  0.39479234  0.80807882
   0.58447388  0.66792406 -0.02331571
   0.91980605  0.57265303  0.36052366
   0.55880596  0.86766461  0.13080988
   0.83408588  0.85041730  0.24394964
   0.68673358  0.67577982  0.47798083
   0.86960098  0.67311850  0.88711537
   0.69519480  0.91914218  0.60702353
   0.91285349  0.90495545  0.74754423
   0.13612667  0.09377052  0.13190190
   0.40721505  0.18997823  0.28513134
   0.18076676  0.33591068  0.01656933
   0.44376400  0.44144182  0.32257756
   0.55888772  0.34748216  0.17550986
   0.29391613  0.40312094  0.17675610
   0.20308021  0.15199244  0.41542457
  -0.04838938  0.16004983  0.40693460
   0.05334409 -0.02659049  0.51851868
   0.47766795  0.24442882  0.77199445
   0.08916068  0.22630813  0.56931545
   0.36649890  0.47260984  0.83911653
   0.48296742  0.46058700  0.67412881
   0.24397896  0.35218897  0.68930297
   0.28378880  0.14878097 -0.09932847
   0.04426615  0.14577711  0.95102934
   0.16252250  0.58703726  0.08332840
   0.37757071  0.69109732  0.27894963
   0.16231468  0.85672968  0.05831233
   0.37086216  0.94213901  0.35267783
   0.41421805  0.91530586  0.17011689
   0.17212785  0.85815362  0.23868432
   0.31715761  0.62372142  0.44092478
   0.08254346  0.56180462  0.38525080
   0.25969615  0.40707271  0.50853937
   0.28745949  0.70537993  0.75406868
   0.13230807  0.71292405  0.54276609
   0.39670138  0.99978756  0.77422550
   0.54258679  0.87321119  0.64832770
   0.27110306  0.91687227  0.62116634
   0.27982696  0.67822946 -0.05725805
   0.01393338  0.69823443  0.93795617
   0.62407934  0.04861759  0.08825215
   0.83599461  0.20678482  0.22331221
   0.62865558  0.29656940  0.00187020
   0.84685895  0.43639836  0.33317769
   0.04302723  0.38085551  0.18578369
   0.78936048  0.42845152  0.11143551
   0.68837316  0.18881380  0.38764652
   0.46102870  0.14462613  0.46113114
   0.67470870  0.05471562  0.54998113
   0.91466650  0.28725011  0.83393540
   0.61837744  0.32408581  0.53548977
   0.85576976  0.52354539  0.83807123
   1.05524326  0.50126478  0.56603704
   0.74271855  0.38748856  0.69734189
   0.78041943  0.10503287  0.92185854
   0.50983208  0.06473604  0.92996939
   0.54849787  0.54265972  0.04275504
   0.89997847  0.70800551  0.28450172
   0.54135560  0.80915346  0.03033110
   0.82229412  0.98698654  0.30531545
   0.93585685  0.89283954  0.15137811
   0.67211016  0.82492809  0.20956463
   0.84427605  0.64505682  0.45802222
   0.57982357  0.60520304  0.40998733
   0.65244011  0.59436291  0.58192535
   0.84418938  0.79758938  0.81749081
   0.64265357  0.83041137  0.47992801
   0.97416114  1.02223855  0.80244146
   1.02097363  0.83898220  0.68208364
   0.76924403  0.97076796  0.69948829
   0.74951809  0.66765449  0.96816906
   0.52671638  0.65001606  0.87293223
   0.77125634  0.79083945  0.60569192
   0.52976443  0.79149800  0.51099829
   0.92729753  0.23347657  0.05311652
   0.67148853  1.10436411  0.13186792
   0.41333063  0.12272842  0.62920611
   0.32344569  1.09200217  0.94957957
   0.37428468  0.89477880 -0.57934029
   0.24748398  1.03028377  0.03477408
   0.66068346  0.35654145  0.85360291
   0.57525717  0.64650207  0.60240959
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872006    0.230381   -0.105750
    -0.000000   10.040635    0.154586
    -0.000000    0.000000   14.250821
   Si   O    H 
    32    64    10
Direct configuration=  3150
   0.18380822  0.17784862  0.01540259
   0.35175756  0.13494049  0.38236109
   0.15881510  0.43055308  0.11610938
   0.42076364  0.33873084  0.23917055
   0.07025830  0.12957202  0.48153383
   0.41854994  0.12656853  0.83884576
   0.16079494  0.37534304  0.59175857
   0.37666606  0.38312841  0.74748517
   0.15034106  0.71082364  0.00118947
   0.42897315  0.58392214  0.36600545
   0.09572770  0.93346638  0.14780316
   0.32968492  0.84300926  0.25797138
   0.17418392  0.57824673  0.48431032
   0.35607526  0.63718726  0.84310824
   0.12355269  0.84917933  0.59248229
   0.40853597  0.97067290  0.66157516
   0.63953756  0.13285749  0.98062079
   0.82575848  0.14330367  0.33676700
   0.63246677  0.40847186  0.08273464
   0.90027525  0.30590419  0.14400123
   0.61600308  0.17708528  0.48537604
   0.92873206  0.13536900  0.87559893
   0.62541528  0.42561838  0.62236941
   0.79277180  0.39636450  0.80827240
   0.58604979  0.66793181 -0.02374596
   0.92125742  0.57169615  0.35919204
   0.55969417  0.86752864  0.13066162
   0.83399768  0.85106930  0.24397783
   0.68595821  0.67559961  0.47734844
   0.86980401  0.67302657  0.88749843
   0.69480671  0.91980317  0.60702463
   0.91234348  0.90592253  0.74625052
   0.13677099  0.09366322  0.13008712
   0.40696120  0.19090289  0.28497849
   0.18261009  0.33593969  0.01637831
   0.44459724  0.44076163  0.32122540
   0.55918064  0.35011984  0.17582931
   0.29524538  0.40397588  0.17875499
   0.20434796  0.15235516  0.41622436
  -0.04755947  0.15963738  0.40717511
   0.05253697 -0.02709936  0.51890399
   0.47704294  0.24361919  0.77366518
   0.08829203  0.22488472  0.56935080
   0.36567299  0.47031984  0.83861721
   0.48298773  0.46133939  0.67534343
   0.24318800  0.35274124  0.68929243
   0.28232785  0.14898021 -0.09817974
   0.04487994  0.14316350  0.95002092
   0.16175806  0.58864001  0.08368239
   0.37711952  0.69372253  0.27896324
   0.16304528  0.85674366  0.05745715
   0.37144433  0.94211998  0.35341876
   0.41461591  0.91530631  0.17064612
   0.17229480  0.85845237  0.23987334
   0.31922582  0.62474211  0.44040581
   0.08085187  0.56097693  0.38596737
   0.25868216  0.40599892  0.50887649
   0.28847145  0.70462389  0.75469906
   0.13361684  0.71553851  0.54244923
   0.39832193  0.99981457  0.77392969
   0.54104609  0.87381151  0.64684068
   0.27199262  0.91788349  0.62093284
   0.27973464  0.67932178 -0.05758374
   0.01324505  0.69762658  0.93823028
   0.62393742  0.04840409  0.08809400
   0.83763400  0.20716152  0.22331817
   0.63027662  0.29753412  0.00254628
   0.84596245  0.43740462  0.33233832
   0.04264685  0.38034499  0.18540004
   0.79010430  0.42721623  0.11213482
   0.68718723  0.18860677  0.38845409
   0.46099772  0.14494300  0.46136659
   0.67394322  0.05487398  0.55002126
   0.91360436  0.28791846  0.83480078
   0.61747766  0.32408324  0.53725931
   0.85736052  0.52552753  0.83957963
   1.05562454  0.50148591  0.56533561
   0.74169497  0.38779519  0.69666188
   0.78245919  0.10453647  0.92123889
   0.50913810  0.06431027  0.93024271
   0.54782037  0.54085117  0.04274577
   0.89869209  0.70863161  0.28427146
   0.54365201  0.81048509  0.03047197
   0.82433990  0.98738953  0.30493168
   0.93563451  0.89238133  0.15195095
   0.67199820  0.82395883  0.20796452
   0.84413036  0.64446494  0.45714020
   0.57888766  0.60538012  0.41120835
   0.65314383  0.59625421  0.58342646
   0.84478527  0.79772563  0.81870553
   0.64056148  0.82958153  0.47906515
   0.97554946  1.02150406  0.80163836
   1.01947976  0.83995016  0.68173517
   0.77122933  0.97102800  0.69807001
   0.74859965  0.66681238  0.96740215
   0.52700466  0.65086996  0.87291831
   0.77286957  0.78868466  0.60765511
   0.53329155  0.81606352  0.50149260
   0.92871179  0.22899295  0.06423970
   0.67052968  1.10547023  0.13550313
   0.41035529  0.12723068  0.63233920
   0.33827414  1.08725728  0.95514400
   0.37496145  0.89187598 -0.57192701
   0.24363439  1.03795225  0.03583363
   0.66569268  0.35647890  0.85720000
   0.57684232  0.64223895  0.61068134
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876509    0.226992   -0.105570
    -0.000000   10.040050    0.157783
    -0.000000    0.000000   14.251047
   Si   O    H 
    32    64    10
Direct configuration=  3151
   0.18333147  0.17642624  0.01572994
   0.35187758  0.13481739  0.38239126
   0.15997851  0.43083832  0.11594410
   0.42069328  0.33811698  0.23871341
   0.06952874  0.13031445  0.48094890
   0.41704848  0.12796429  0.83839062
   0.15964065  0.37674388  0.59152845
   0.37687050  0.38285206  0.74764214
   0.15094017  0.71265643  0.00144434
   0.42837205  0.58447401  0.36455130
   0.09419308  0.93426225  0.14722696
   0.33121127  0.84111215  0.25793699
   0.17410045  0.57896905  0.48420284
   0.35553675  0.63785240  0.84374453
   0.12384262  0.84965888  0.59306647
   0.40895855  0.97150442  0.66044765
   0.64016708  0.13263033  0.98056580
   0.82540142  0.14492808  0.33689516
   0.63199575  0.40896803  0.08336010
   0.90021637  0.30651491  0.14381225
   0.61547728  0.17812280  0.48582416
   0.93037410  0.13586720  0.87534309
   0.62578318  0.42565615  0.62221943
   0.79226734  0.39706900  0.80881214
   0.58775320  0.66861983 -0.02392076
   0.92239263  0.57185341  0.35822854
   0.56133987  0.86709733  0.13075599
   0.83397808  0.85187034  0.24380168
   0.68559864  0.67527757  0.47680731
   0.86981397  0.67269664  0.88780891
   0.69465955  0.92010772  0.60742350
   0.91160273  0.90643482  0.74499595
   0.13783528  0.09367373  0.12840697
   0.40636320  0.19170882  0.28476324
   0.18440927  0.33623086  0.01642030
   0.44578080  0.44013347  0.31992101
   0.55931811  0.35209017  0.17593851
   0.29771865  0.40411640  0.18056366
   0.20558882  0.15147345  0.41697325
  -0.04704056  0.15982878  0.40708983
   0.05163064 -0.02765690  0.51933662
   0.47558103  0.24331048  0.77499550
   0.08783511  0.22354594  0.56969737
   0.36467266  0.46733862  0.83823373
   0.48359303  0.46189870  0.67656683
   0.24201027  0.35277681  0.68949398
   0.28141928  0.14875867 -0.09704271
   0.04579998  0.14144073  0.94950070
   0.15981707  0.58999648  0.08427473
   0.37686586  0.69683844  0.27960359
   0.16316003  0.85637581  0.05672453
   0.37214589  0.94225352  0.35460921
   0.41531125  0.91506258  0.17178789
   0.17243803  0.85954392  0.24030747
   0.32164686  0.62555485  0.44022386
   0.07940569  0.56067581  0.38646075
   0.25923073  0.40556944  0.50927039
   0.28986104  0.70333364  0.75509256
   0.13570746  0.71828534  0.54215852
   0.39961030  0.99935728  0.77370407
   0.53953420  0.87410556  0.64528428
   0.27206593  0.91870002  0.62062664
   0.27936010  0.68051467 -0.05782068
   0.01260722  0.69687838  0.93857373
   0.62349384  0.04803239  0.08799133
   0.83938088  0.20727289  0.22366052
   0.63152696  0.29724216  0.00314155
   0.84498335  0.43777912  0.33167654
   0.04251451  0.37947990  0.18560349
   0.79026851  0.42636309  0.11305439
   0.68691616  0.18791877  0.38859322
   0.46089919  0.14494930  0.46137337
   0.67296175  0.05545947  0.55010871
   0.91201850  0.28823743  0.83524844
   0.61647085  0.32353591  0.53853944
   0.85836009  0.52824191  0.84067914
   1.05558519  0.50161361  0.56431549
   0.74010114  0.38832439  0.69622077
   0.78422195  0.10431950  0.92130547
   0.50918620  0.06475837  0.93096535
   0.54732339  0.53906045  0.04322993
   0.89735465  0.70961905  0.28411933
   0.54556543  0.81128576  0.03015987
   0.82593439  0.98741610  0.30471097
   0.93554357  0.89208269  0.15308582
   0.67174706  0.82298498  0.20626568
   0.84370802  0.64426431  0.45633115
   0.57825797  0.60500195  0.41251936
   0.65373881  0.59653672  0.58446877
   0.84535801  0.79841773  0.81979325
   0.63706625  0.82934489  0.47857266
   0.97711882  1.02071438  0.80131070
   1.01777098  0.84075691  0.68077087
   0.77339243  0.97193577  0.69776966
   0.74797008  0.66675919  0.96661317
   0.52717115  0.65117070  0.87336335
   0.77949569  0.78845402  0.61045453
   0.54087879  0.84178474  0.49055454
   0.93058849  0.22084333  0.07165898
   0.66880084  1.10514061  0.13921086
   0.41073049  0.12385716  0.63248910
   0.34332360  1.08314039  0.96151850
   0.37045932  0.89153010 -0.57191740
   0.24547690  1.04620401  0.03488616
   0.66702995  0.36127094  0.85967099
   0.57503395  0.63769014  0.62113973
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881162    0.224087   -0.105680
    -0.000000   10.039553    0.161619
    -0.000000    0.000000   14.251093
   Si   O    H 
    32    64    10
Direct configuration=  3152
   0.18180568  0.17483892  0.01567967
   0.35247208  0.13494340  0.38194981
   0.16084373  0.43102879  0.11573148
   0.42035841  0.33804265  0.23813481
   0.06877560  0.13049264  0.48079543
   0.41616206  0.12930267  0.83789819
   0.15813372  0.37796657  0.59127474
   0.37774762  0.38268140  0.74778093
   0.15144505  0.71437110  0.00211191
   0.42869359  0.58539514  0.36332311
   0.09262349  0.93468910  0.14676909
   0.33196415  0.84030980  0.25769946
   0.17382064  0.57925164  0.48440147
   0.35559600  0.63764897  0.84453850
   0.12357531  0.85070075  0.59322373
   0.40914505  0.97192935  0.65969720
   0.64166410  0.13209494  0.98105426
   0.82552688  0.14648139  0.33640009
   0.63184285  0.40986840  0.08422173
   0.89938573  0.30745982  0.14350580
   0.61513981  0.17854551  0.48632466
   0.93197669  0.13579657  0.87509295
   0.62581458  0.42560882  0.62221756
   0.79163721  0.39689817  0.80925246
   0.58878646  0.66929908 -0.02431994
   0.92295238  0.57208064  0.35742380
   0.56274193  0.86735190  0.13061903
   0.83462641  0.85232911  0.24371603
   0.68602796  0.67447901  0.47621229
   0.87058067  0.67174924  0.88793093
   0.69465225  0.92000869  0.60780748
   0.90986988  0.90629273  0.74415755
   0.13832276  0.09366981  0.12707872
   0.40621377  0.19203096  0.28472095
   0.18614528  0.33697196  0.01612128
   0.44648677  0.44027903  0.31930409
   0.55940242  0.35313932  0.17650503
   0.29937576  0.40420596  0.18136800
   0.20614544  0.15042262  0.41745647
  -0.04691191  0.15933000  0.40657643
   0.05021949 -0.02783663  0.51983683
   0.47329622  0.24329481  0.77598298
   0.08715851  0.22328786  0.56969100
   0.36362464  0.46561311  0.83840979
   0.48390628  0.46215897  0.67767118
   0.24126959  0.35281470  0.68941313
   0.27989909  0.14801327 -0.09592466
   0.04724383  0.13927478  0.94911718
   0.15707172  0.59108395  0.08464439
   0.37733105  0.69902794  0.28039482
   0.16379998  0.85628410  0.05513345
   0.37310720  0.94218897  0.35629504
   0.41649003  0.91406832  0.17277310
   0.17232747  0.86170429  0.24028870
   0.32360050  0.62694615  0.43990555
   0.07761044  0.56067497  0.38676675
   0.25885339  0.40553230  0.50908856
   0.29190456  0.70222478  0.75565410
   0.13807871  0.71965494  0.54153985
   0.40102714  1.00037494  0.77366543
   0.53827280  0.87404127  0.64373133
   0.27159967  0.91937324  0.62051570
   0.27945345  0.68179709 -0.05803449
   0.01170344  0.69624828  0.93976998
   0.62324808  0.04748339  0.08786452
   0.84102059  0.20798859  0.22441751
   0.63322939  0.29562394  0.00360368
   0.84354815  0.43891230  0.33134404
   0.04170904  0.37867775  0.18519313
   0.79055283  0.42577483  0.11337996
   0.68820315  0.18680503  0.38875467
   0.46098129  0.14552269  0.46168383
   0.67256622  0.05611420  0.55039360
   0.91109505  0.28865603  0.83526446
   0.61457803  0.32282997  0.54032472
   0.85917450  0.53127799  0.84119400
   1.05579851  0.50147351  0.56271019
   0.73876941  0.38929434  0.69592878
   0.78515157  0.10319930  0.92213133
   0.51004840  0.06615898  0.93182881
   0.54635908  0.53793840  0.04355500
   0.89606471  0.71018984  0.28434130
   0.54778706  0.81170264  0.02969078
   0.82712004  0.98674186  0.30473651
   0.93511824  0.89139120  0.15408676
   0.67228760  0.82217064  0.20478815
   0.84296748  0.64400400  0.45580521
   0.57717551  0.60455234  0.41411921
   0.65340693  0.59617629  0.58646349
   0.84651732  0.80010713  0.81999103
   0.63520863  0.83001104  0.47817927
   0.97840294  1.02109565  0.80123829
   1.01730033  0.84100019  0.68004455
   0.77586291  0.97298220  0.69781895
   0.74818215  0.66716646  0.96576225
   0.52628062  0.65141929  0.87354079
   0.78363912  0.79014026  0.61110192
   0.54386847  0.86738157  0.47976362
   0.93335805  0.21197095  0.07385274
   0.66474936  1.09733665  0.14014344
   0.41322186  0.11549246  0.63248410
   0.34140614  1.08060745  0.96675996
   0.36420742  0.89127038 -0.58263725
   0.25736922  1.05343928  0.03097416
   0.66887779  0.36934318  0.86007992
   0.57983272  0.63387759  0.62678946
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886199    0.221944   -0.105844
    -0.000000   10.038706    0.166060
    -0.000000    0.000000   14.250904
   Si   O    H 
    32    64    10
Direct configuration=  3153
   0.18014568  0.17350979  0.01550179
   0.35275802  0.13560356  0.38133438
   0.16189676  0.43120861  0.11563325
   0.42011795  0.33836302  0.23742886
   0.06851056  0.12971509  0.48079423
   0.41530039  0.12987637  0.83765158
   0.15704180  0.37871839  0.59086791
   0.37855573  0.38280480  0.74767154
   0.15160849  0.71604150  0.00306862
   0.42901256  0.58582654  0.36238770
   0.09155773  0.93520980  0.14604592
   0.33228774  0.83948591  0.25758105
   0.17292713  0.57891584  0.48501592
   0.35584329  0.63669518  0.84528604
   0.12304390  0.85232097  0.59329995
   0.40827393  0.97308724  0.65928045
   0.64293045  0.13135439  0.98138340
   0.82522719  0.14838251  0.33566243
   0.63190134  0.41048106  0.08521383
   0.89868928  0.30878726  0.14320846
   0.61536751  0.17895479  0.48681138
   0.93385371  0.13570699  0.87466712
   0.62545530  0.42597009  0.62218915
   0.79095450  0.39712109  0.80976314
   0.58969642  0.66936502 -0.02443582
   0.92329895  0.57190316  0.35661700
   0.56313777  0.86863194  0.13006650
   0.83542796  0.85247771  0.24348074
   0.68653178  0.67373190  0.47548577
   0.87127348  0.67130016  0.88857643
   0.69431488  0.91920046  0.60791061
   0.90824153  0.90618037  0.74300114
   0.13932958  0.09301251  0.12612123
   0.40574360  0.19184284  0.28516193
   0.18708187  0.33782509  0.01642198
   0.44614814  0.44120687  0.31890189
   0.55921037  0.35453656  0.17714942
   0.30090937  0.40507213  0.18214006
   0.20601357  0.14961971  0.41771806
  -0.04802574  0.15926319  0.40635661
   0.04875047 -0.02747669  0.52023995
   0.47029105  0.24353474  0.77716613
   0.08660305  0.22331850  0.56936067
   0.36235320  0.46397176  0.83901556
   0.48418019  0.46244947  0.67834922
   0.24026226  0.35268837  0.68934245
   0.27929945  0.14667349 -0.09501421
   0.05006113  0.13804263  0.94923057
   0.15448618  0.59231301  0.08469876
   0.37869650  0.69945070  0.28138144
   0.16421719  0.85632500  0.05379152
   0.37414185  0.94267069  0.35803786
   0.41699287  0.91347919  0.17451918
   0.17172362  0.86322221  0.24050709
   0.32478786  0.62751715  0.43989508
   0.07676243  0.56072375  0.38669386
   0.25866780  0.40577019  0.50887782
   0.29424750  0.70132920  0.75604021
   0.13978216  0.72052966  0.54063943
   0.40138161  1.00091771  0.77368290
   0.53717254  0.87353813  0.64218404
   0.26960602  0.92012593  0.61974498
   0.28036337  0.68301793 -0.05769530
   0.01155201  0.69604239  0.94106954
   0.62202764  0.04688924  0.08801830
   0.84174143  0.20855549  0.22587186
   0.63501941  0.29314910  0.00471502
   0.84232476  0.44028575  0.33132211
   0.04089929  0.37822927  0.18447203
   0.79029854  0.42550331  0.11352302
   0.68980707  0.18636363  0.38856442
   0.46156188  0.14599569  0.46159373
   0.67217077  0.05638480  0.55062144
   0.91001718  0.28881411  0.83504650
   0.61323032  0.32142226  0.54168170
   0.86010575  0.53475850  0.84107000
   1.05657237  0.50182837  0.56133221
   0.73815841  0.39016141  0.69574682
   0.78508599  0.10142492  0.92293860
   0.51096071  0.06749435  0.93231387
   0.54532636  0.53727207  0.04374514
   0.89438979  0.71038057  0.28448875
   0.54983837  0.81153128  0.02875605
   0.82904720  0.98709855  0.30467405
   0.93449114  0.89059194  0.15509626
   0.67322625  0.82184652  0.20348893
   0.84174548  0.64462860  0.45521648
   0.57625435  0.60384586  0.41548967
   0.65354995  0.59575080  0.58778395
   0.84785489  0.80142559  0.82011974
   0.63365725  0.83017116  0.47778453
   0.97993895  1.02217818  0.80149329
   1.01700720  0.83982766  0.67910629
   0.77719529  0.97369328  0.69804311
   0.74825602  0.66745093  0.96473961
   0.52572359  0.65187272  0.87369293
   0.78506674  0.79595521  0.60991306
   0.54258215  0.89278858  0.46946606
   0.93522077  0.20218980  0.07135116
   0.66426793  1.09062340  0.14537380
   0.41615322  0.10771423  0.63268894
   0.33488952  1.08058357  0.97140627
   0.35459408  0.89425605 -0.59397595
   0.27654186  1.05235669  0.02474390
   0.66653882  0.37911388  0.85952896
   0.58807212  0.63282090  0.62871174
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891264    0.220679   -0.105818
    -0.000000   10.038118    0.169877
    -0.000000    0.000000   14.251169
   Si   O    H 
    32    64    10
Direct configuration=  3154
   0.17864631  0.17248435  0.01539503
   0.35276136  0.13607786  0.38109290
   0.16256271  0.43155346  0.11565657
   0.42066132  0.33898675  0.23688281
   0.06859885  0.12847583  0.48107137
   0.41433915  0.12971116  0.83790613
   0.15635784  0.37815305  0.59048856
   0.37859902  0.38297573  0.74731364
   0.15142260  0.71692370  0.00418875
   0.42922335  0.58605411  0.36161799
   0.09088437  0.93583959  0.14512756
   0.33180238  0.83930434  0.25768160
   0.17207136  0.57814338  0.48569004
   0.35600624  0.63557629  0.84565784
   0.12227156  0.85423158  0.59347633
   0.40733092  0.97452465  0.65885598
   0.64408511  0.13086861  0.98172853
   0.82527255  0.14980369  0.33461313
   0.63197546  0.41020291  0.08609932
   0.89835028  0.30988714  0.14317170
   0.61523359  0.17901227  0.48771814
   0.93586092  0.13573104  0.87374291
   0.62512089  0.42661853  0.62185446
   0.79005843  0.39718519  0.81041967
   0.59007233  0.66972988 -0.02438372
   0.92271588  0.57186671  0.35562290
   0.56361210  0.87020177  0.12918248
   0.83632957  0.85304513  0.24310226
   0.68712328  0.67245593  0.47482626
   0.87155246  0.67160396  0.88913957
   0.69454584  0.91787614  0.60826320
   0.90730224  0.90525718  0.74191646
   0.13977285  0.09327544  0.12554329
   0.40466257  0.19091947  0.28561653
   0.18695856  0.33815420  0.01665893
   0.44561082  0.44187351  0.31869705
   0.55876386  0.35591548  0.17797421
   0.30101928  0.40642031  0.18242157
   0.20613671  0.14766362  0.41754058
  -0.04895003  0.15904261  0.40575172
   0.04773067 -0.02754326  0.52113103
   0.46763183  0.24424650  0.77826348
   0.08608842  0.22508865  0.56918550
   0.36113451  0.46295507  0.83935884
   0.48477777  0.46310282  0.67896297
   0.23932973  0.35257554  0.68936784
   0.27939117  0.14674395 -0.09450015
   0.05264962  0.13684911  0.94971938
   0.15279042  0.59216605  0.08412242
   0.38000787  0.69875799  0.28210133
   0.16446194  0.85729143  0.05243122
   0.37472140  0.94411703  0.35835691
   0.41765884  0.91289485  0.17625721
   0.17063285  0.86498628  0.24110249
   0.32559058  0.62874895  0.44041550
   0.07646460  0.56034068  0.38683354
   0.25933207  0.40656356  0.50847677
   0.29553165  0.70054196  0.75594940
   0.14063796  0.72108762  0.53970144
   0.40136744  1.00150561  0.77320377
   0.53611445  0.87313795  0.64145763
   0.26703392  0.92052788  0.61906954
   0.28201237  0.68371198 -0.05776981
   0.01351460  0.69491550  0.94256958
   0.62171470  0.04599268  0.08806133
   0.84242426  0.20902742  0.22731118
   0.63584215  0.29040398  0.00590748
   0.84183757  0.44232411  0.33085693
   0.04057410  0.37721832  0.18339568
   0.78998557  0.42452882  0.11360428
   0.69112575  0.18594544  0.38832507
   0.46190235  0.14670390  0.46144575
   0.67120700  0.05756059  0.55055225
   0.90841831  0.28886850  0.83538351
   0.61309638  0.32086769  0.54259491
   0.86152255  0.53690601  0.84041320
   1.05683005  0.50205689  0.56049860
   0.73870482  0.39062283  0.69636354
   0.78479466  0.09955093  0.92388613
   0.51162509  0.06950692  0.93254631
   0.54486771  0.53713717  0.04339332
   0.89249368  0.71048095  0.28450234
   0.55146690  0.81134021  0.02810803
   0.83031342  0.98720361  0.30449989
   0.93361034  0.89042001  0.15563610
   0.67421496  0.82146874  0.20207973
   0.84085529  0.64609863  0.45474619
   0.57531840  0.60335401  0.41655798
   0.65371284  0.59470451  0.58874112
   0.84929976  0.80225991  0.81976229
   0.63219195  0.83091923  0.47729056
   0.98261344  1.02327107  0.80177935
   1.01664713  0.83855767  0.67845078
   0.77726111  0.97504738  0.69849520
   0.74885029  0.66827230  0.96449260
   0.52480281  0.65228639  0.87360598
   0.78254456  0.79971411  0.60735824
   0.54974885  0.90664179  0.46078902
   0.93479575  0.19884849  0.06885211
   0.66389043  1.08283687  0.14449793
   0.42217878  0.10519748  0.63029061
   0.32661235  1.08174129  0.97623757
   0.33725325  0.87725673 -0.58495094
   0.29895486  1.04993346  0.02236991
   0.66561314  0.38771316  0.85925504
   0.59191300  0.63396588  0.63343727
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895987    0.219576   -0.106787
    -0.000000   10.037369    0.173743
    -0.000000    0.000000   14.250776
   Si   O    H 
    32    64    10
Direct configuration=  3155
   0.17768525  0.17161863  0.01556871
   0.35266071  0.13650004  0.38099594
   0.16367090  0.43160292  0.11607927
   0.42087349  0.33996036  0.23664822
   0.06915678  0.12720943  0.48104635
   0.41345573  0.12860173  0.83862727
   0.15589591  0.37677937  0.59002136
   0.37873132  0.38308360  0.74668788
   0.15097722  0.71782746  0.00495300
   0.42970491  0.58644840  0.36097330
   0.09058171  0.93600595  0.14399929
   0.33121841  0.83975041  0.25797236
   0.17139925  0.57782561  0.48635053
   0.35574240  0.63398168  0.84600178
   0.12066395  0.85670014  0.59361737
   0.40628756  0.97561074  0.65860469
   0.64587632  0.13072384  0.98208225
   0.82628684  0.15134623  0.33324587
   0.63194622  0.41069269  0.08706301
   0.89850433  0.31010416  0.14335097
   0.61502126  0.17956809  0.48909833
   0.93746364  0.13583624  0.87320508
   0.62520119  0.42709209  0.62150855
   0.78900536  0.39740397  0.81056237
   0.58995111  0.67013389 -0.02431054
   0.92198134  0.57238613  0.35480979
   0.56454682  0.87123646  0.12848199
   0.83735355  0.85315168  0.24319420
   0.68761886  0.67112438  0.47415018
   0.87168398  0.67176791  0.88975410
   0.69466125  0.91654858  0.60877878
   0.90701688  0.90472916  0.74140572
   0.14050662  0.09253802  0.12515990
   0.40432208  0.19007886  0.28627702
   0.18608949  0.33768413  0.01772142
   0.44422253  0.44249004  0.31910065
   0.55897469  0.35738542  0.17912125
   0.30036146  0.40722979  0.18268420
   0.20660728  0.14660989  0.41723019
  -0.04918905  0.15881106  0.40507589
   0.04729415 -0.02705709  0.52235070
   0.46545788  0.24534798  0.77917386
   0.08563239  0.22697339  0.56946845
   0.35965848  0.46250524  0.84001682
   0.48625219  0.46381156  0.67961249
   0.23798466  0.35198824  0.68981220
   0.27923422  0.14699683 -0.09401979
   0.05468864  0.13554459  0.95033134
   0.15104554  0.59096729  0.08382253
   0.38174763  0.69689556  0.28336394
   0.16450379  0.85852726  0.05184194
   0.37526858  0.94404118  0.35827693
   0.41936290  0.91233495  0.17820997
   0.16966204  0.86725280  0.24174685
   0.32574843  0.62962832  0.44074100
   0.07596945  0.56063087  0.38717556
   0.25966783  0.40815585  0.50805034
   0.29598797  0.70019730  0.75551283
   0.14180276  0.72174969  0.53865419
   0.40140700  1.00181086  0.77264252
   0.53541241  0.87266302  0.64157696
   0.26431216  0.92049223  0.61822140
   0.28285618  0.68466491 -0.05818341
   0.01573394  0.69398177  0.94380682
   0.62182459  0.04455731  0.08809852
   0.84285303  0.21000072  0.22882323
   0.63621563  0.28843085  0.00719374
   0.84131262  0.44468549  0.33035780
   0.03996419  0.37644798  0.18188393
   0.78950721  0.42395754  0.11383163
   0.69197720  0.18543956  0.38818581
   0.46195608  0.14692067  0.46125563
   0.66983452  0.05893494  0.55058065
   0.90684634  0.28842501  0.83589045
   0.61318481  0.31983141  0.54372369
   0.86166751  0.53829885  0.83954279
   1.05682254  0.50228405  0.56000719
   0.73931033  0.39141169  0.69694432
   0.78502873  0.09801926  0.92427579
   0.51135659  0.07151941  0.93235828
   0.54451954  0.53688174  0.04338616
   0.89092716  0.71171088  0.28429689
   0.55264663  0.81101007  0.02712787
   0.83138678  0.98656614  0.30414479
   0.93328883  0.88977337  0.15612629
   0.67535082  0.82146031  0.20159102
   0.83979476  0.64707120  0.45428243
   0.57404132  0.60274595  0.41725774
   0.65369262  0.59339251  0.58958971
   0.85033118  0.80292040  0.81954589
   0.63086246  0.83273059  0.47634081
   0.98515363  1.02371345  0.80248166
   1.01652006  0.83697123  0.67749442
   0.77685058  0.97660213  0.69852831
   0.74997689  0.66938287  0.96433405
   0.52335585  0.65228047  0.87382655
   0.78131623  0.80008059  0.60411186
   0.56443407  0.90759303  0.45225850
   0.92993941  0.20034323  0.06853547
   0.66724598  1.07907365  0.14241480
   0.43165585  0.10864422  0.62453450
   0.32092335  1.08605669  0.97833461
   0.32699924  0.87179176 -0.58301388
   0.31432302  1.04376361  0.02955806
   0.66210050  0.39597695  0.85909598
   0.59284315  0.63775375  0.63734559
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900693    0.218601   -0.107430
    -0.000000   10.036370    0.178062
    -0.000000    0.000000   14.250477
   Si   O    H 
    32    64    10
Direct configuration=  3156
   0.17689195  0.17097268  0.01561699
   0.35211006  0.13679515  0.38097667
   0.16510152  0.43141738  0.11633304
   0.42128009  0.34078624  0.23639504
   0.06967287  0.12604026  0.48091626
   0.41225598  0.12746020  0.83959800
   0.15505147  0.37520893  0.58951270
   0.37865186  0.38294554  0.74621926
   0.15106577  0.71767654  0.00515873
   0.43051608  0.58649779  0.36086797
   0.09068679  0.93624770  0.14266450
   0.33072404  0.84079617  0.25885620
   0.17067996  0.57753616  0.48648381
   0.35541897  0.63198711  0.84586943
   0.11935719  0.85821477  0.59352532
   0.40520605  0.97647722  0.65894251
   0.64736217  0.13111710  0.98245896
   0.82694328  0.15214408  0.33191645
   0.63243221  0.41075764  0.08759512
   0.89924841  0.31024316  0.14409913
   0.61463060  0.17964794  0.49024451
   0.93922029  0.13583701  0.87280774
   0.62525424  0.42795987  0.62086681
   0.78847200  0.39795468  0.81080884
   0.58949756  0.67076659 -0.02436512
   0.92097367  0.57296144  0.35430072
   0.56541932  0.87296878  0.12746537
   0.83823281  0.85358134  0.24361635
   0.68819984  0.66993729  0.47419356
   0.87205379  0.67226821  0.89047664
   0.69401283  0.91625384  0.60931568
   0.90710171  0.90409242  0.74125816
   0.14093517  0.09150753  0.12445402
   0.40294823  0.18901832  0.28639823
   0.18516366  0.33737988  0.01935925
   0.44303625  0.44306315  0.31981061
   0.55817297  0.35891199  0.18016522
   0.29922466  0.40804902  0.18277306
   0.20610929  0.14605642  0.41736966
  -0.04961875  0.15880226  0.40456707
   0.04722508 -0.02647758  0.52300688
   0.46398571  0.24720691  0.77935261
   0.08559084  0.22821600  0.57026295
   0.35877242  0.46275666  0.84100281
   0.48776722  0.46418738  0.67984222
   0.23691651  0.35152579  0.69076143
   0.27945413  0.14779306 -0.09380153
   0.05671826  0.13468382  0.95149454
   0.15113273  0.58981771  0.08358845
   0.38374961  0.69517968  0.28454575
   0.16446785  0.86011659  0.05168080
   0.37490524  0.94311385  0.35833130
   0.42127968  0.91222306  0.17934757
   0.16917618  0.86948262  0.24144691
   0.32657099  0.63041380  0.44160128
   0.07585643  0.56051871  0.38781017
   0.26038241  0.41010164  0.50803239
   0.29633468  0.69961460  0.75494042
   0.14245017  0.72252315  0.53780245
   0.40188064  1.00173070  0.77192453
   0.53586027  0.87191756  0.64198003
   0.26224262  0.92125285  0.61768357
   0.28349905  0.68539398 -0.05837323
   0.01731449  0.69368367  0.94491694
   0.62108975  0.04334738  0.08767510
   0.84346009  0.21190861  0.22975388
   0.63579751  0.28671995  0.00858373
   0.84077045  0.44688371  0.33047607
   0.03929308  0.37600939  0.18051409
   0.78974966  0.42301020  0.11411861
   0.69204153  0.18605758  0.38798855
   0.46322422  0.14748646  0.46127328
   0.66846630  0.06040253  0.55111111
   0.90616309  0.28750261  0.83602507
   0.61365550  0.31841105  0.54420216
   0.86196122  0.53860669  0.83753320
   1.05652315  0.50267152  0.56020793
   0.73943619  0.39255592  0.69881450
   0.78632779  0.09633787  0.92427992
   0.51133083  0.07352880  0.93177112
   0.54513344  0.53593570  0.04345895
   0.88940902  0.71295120  0.28458028
   0.55484031  0.81054909  0.02641123
   0.83286615  0.98675979  0.30384962
   0.93248546  0.89007653  0.15661977
   0.67637345  0.82217056  0.20130385
   0.83966179  0.64723449  0.45355654
   0.57273319  0.60221266  0.41731717
   0.65329406  0.59319975  0.59087333
   0.85079231  0.80367426  0.81973483
   0.62989849  0.83530700  0.47549878
   0.98821127  1.02334352  0.80286076
   1.01638821  0.83536129  0.67655192
   0.77549146  0.97804519  0.69866091
   0.75141114  0.67092252  0.96453414
   0.52174275  0.65222485  0.87363244
   0.78403001  0.79910599  0.59789640
   0.58311199  0.89747986  0.44777973
   0.92318143  0.20781863  0.07010976
   0.67693047  1.08396921  0.14457940
   0.43937283  0.11469378  0.61871225
   0.31668262  1.09051134  0.97779010
   0.32478218  0.87629137 -0.58759882
   0.32355292  1.03917498  0.04289491
   0.65753850  0.40138853  0.86138575
   0.59387703  0.64153430  0.63763851
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904942    0.217918   -0.108152
    -0.000000   10.035641    0.182344
    -0.000000    0.000000   14.250195
   Si   O    H 
    32    64    10
Direct configuration=  3157
   0.17703427  0.17007824  0.01561087
   0.35214753  0.13682280  0.38137837
   0.16599453  0.43130663  0.11605490
   0.42209341  0.34134070  0.23624452
   0.06945158  0.12454281  0.48079197
   0.41130848  0.12596473  0.84102219
   0.15447348  0.37339071  0.58908541
   0.37846660  0.38349686  0.74562655
   0.15153554  0.71700952  0.00461148
   0.43182068  0.58625728  0.36049879
   0.09063158  0.93649190  0.14171586
   0.33068695  0.84257555  0.25975532
   0.16994680  0.57709352  0.48628597
   0.35483614  0.62976832  0.84569825
   0.11783327  0.85934627  0.59352531
   0.40435290  0.97745319  0.65890152
   0.64827050  0.13102090  0.98264691
   0.82773345  0.15279595  0.33068504
   0.63175500  0.41002137  0.08779956
   0.90065204  0.30993232  0.14496787
   0.61403251  0.17968321  0.49125318
   0.94027165  0.13565041  0.87256532
   0.62493348  0.42857283  0.62031193
   0.78754994  0.39882960  0.81115734
   0.58869391  0.67104544 -0.02505129
   0.91992844  0.57398185  0.35377057
   0.56603198  0.87518742  0.12693713
   0.83947703  0.85360919  0.24369707
   0.68856575  0.66924099  0.47436195
   0.87263417  0.67299178  0.89109057
   0.69322452  0.91609876  0.60993363
   0.90700133  0.90375562  0.74129563
   0.14123674  0.09049052  0.12358355
   0.40129792  0.18870540  0.28559931
   0.18510693  0.33617408  0.02147921
   0.44149062  0.44337501  0.32080703
   0.55744798  0.35952340  0.18055070
   0.29835269  0.40834094  0.18252654
   0.20519973  0.14607134  0.41772532
  -0.04971772  0.15882711  0.40436343
   0.04702545 -0.02570581  0.52304263
   0.46268276  0.24871708  0.77924112
   0.08436633  0.22901767  0.57108390
   0.35798231  0.46288728  0.84218032
   0.48839488  0.46413844  0.67986147
   0.23628680  0.35102982  0.69115078
   0.28026548  0.14807339 -0.09432775
   0.05808185  0.13479723  0.95222850
   0.15147121  0.58854210  0.08367014
   0.38522926  0.69417672  0.28522460
   0.16419702  0.86139243  0.05142929
   0.37333065  0.94122640  0.35897726
   0.42339843  0.91256021  0.18070552
   0.16887681  0.87172294  0.24090721
   0.32667598  0.63120296  0.44264403
   0.07674592  0.56005212  0.38809875
   0.26076413  0.41134043  0.50795497
   0.29689572  0.69830871  0.75441790
   0.14305858  0.72348444  0.53796487
   0.40187837  1.00145015  0.77142625
   0.53600853  0.87050407  0.64237398
   0.26015900  0.92224318  0.61743809
   0.28439723  0.68584963 -0.05837421
   0.01770637  0.69316408  0.94553337
   0.62095419  0.04231417  0.08826589
   0.84386410  0.21321621  0.23044269
   0.63478206  0.28583323  0.00979401
   0.84001356  0.44823295  0.33094218
   0.03885514  0.37644650  0.17894905
   0.78922451  0.42273856  0.11418749
   0.69176679  0.18661225  0.38749450
   0.46327953  0.14925909  0.46133302
   0.66658713  0.06121235  0.55170398
   0.90609685  0.28664139  0.83630115
   0.61333625  0.31688216  0.54501484
   0.86245588  0.53832505  0.83562321
   1.05649248  0.50248768  0.56081481
   0.73990440  0.39265023  0.70057583
   0.78721742  0.09447436  0.92416275
   0.51220414  0.07545627  0.93127377
   0.54605080  0.53524546  0.04368314
   0.88743982  0.71381287  0.28470908
   0.55701113  0.80985959  0.02583356
   0.83447501  0.98675093  0.30337086
   0.93170151  0.89018074  0.15730708
   0.67785288  0.82294715  0.20105966
   0.84021573  0.64708008  0.45268811
   0.57152322  0.60175759  0.41685544
   0.65254325  0.59244688  0.59225746
   0.85133907  0.80427941  0.82013771
   0.63085850  0.83540761  0.47576930
   0.99039628  1.02308089  0.80290411
   1.01661707  0.83307360  0.67532441
   0.77444896  0.97964536  0.69889723
   0.75216110  0.67153603  0.96494905
   0.52070022  0.65133603  0.87329429
   0.78393910  0.79769307  0.59373771
   0.58222368  0.91239299  0.43464888
   0.91906587  0.21794691  0.07395601
   0.67955163  1.08454637  0.14282514
   0.44514083  0.11474121  0.61440493
   0.31498031  1.08943977  0.98501127
   0.33191152  0.88790608 -0.59636624
   0.32852463  1.04514706  0.04971113
   0.65604261  0.40185175  0.86280937
   0.59408834  0.64622374  0.63306530
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908524    0.217873   -0.108402
    -0.000000   10.034511    0.186968
    -0.000000    0.000000   14.249767
   Si   O    H 
    32    64    10
Direct configuration=  3158
   0.17741352  0.16972223  0.01589864
   0.35235900  0.13676192  0.38196190
   0.16700368  0.43177817  0.11581077
   0.42288594  0.34230950  0.23643594
   0.07015675  0.12318326  0.48066257
   0.41082431  0.12457090  0.84264358
   0.15369849  0.37188491  0.58841746
   0.37818072  0.38414177  0.74513256
   0.15240738  0.71558636  0.00420266
   0.43272906  0.58605680  0.36019054
   0.09064874  0.93624386  0.14071666
   0.33083861  0.84449592  0.26024523
   0.16932523  0.57695394  0.48639687
   0.35504828  0.62742050  0.84563767
   0.11603718  0.85982497  0.59328580
   0.40342234  0.97777651  0.65906832
   0.64912565  0.13124845  0.98239965
   0.82862643  0.15260593  0.32987169
   0.63180674  0.40876278  0.08814462
   0.90259863  0.30989891  0.14609801
   0.61397008  0.17898591  0.49181007
   0.94062345  0.13570785  0.87206228
   0.62455642  0.42882772  0.61988067
   0.78710105  0.40000584  0.81173180
   0.58790276  0.67036997 -0.02587076
   0.91867252  0.57501560  0.35339539
   0.56662697  0.87790261  0.12628500
   0.84032995  0.85292653  0.24370268
   0.68897605  0.66875004  0.47428920
   0.87336386  0.67333242  0.89152751
   0.69251397  0.91658436  0.61040887
   0.90672956  0.90326860  0.74174585
   0.14114306  0.08951219  0.12329063
   0.39958707  0.18891707  0.28428677
   0.18462624  0.33499568  0.02337420
   0.44024250  0.44271474  0.32141316
   0.55602246  0.35957103  0.18029697
   0.29765519  0.40815426  0.18205961
   0.20462310  0.14661466  0.41748223
  -0.05016570  0.15830866  0.40439225
   0.04703109 -0.02391251  0.52340007
   0.46124996  0.24876654  0.77888497
   0.08233458  0.22942905  0.57189982
   0.35633198  0.46244247  0.84286055
   0.48942806  0.46347555  0.67975228
   0.23570298  0.35025434  0.69177391
   0.28158734  0.14855458 -0.09488202
   0.05826729  0.13424101  0.95253312
   0.15119653  0.58775803  0.08364227
   0.38607642  0.69446585  0.28540277
   0.16319374  0.86247416  0.05133622
   0.37257995  0.93877410  0.35899772
   0.42597834  0.91205731  0.18122217
   0.16863330  0.87370494  0.24102317
   0.32591979  0.63179116  0.44415501
   0.07711024  0.55980373  0.38828010
   0.26112737  0.41179334  0.50751817
   0.29851910  0.69766440  0.75413164
   0.14366046  0.72421050  0.53731508
   0.40180095  1.00159890  0.77127534
   0.53658305  0.87018774  0.64287481
   0.25872254  0.92328404  0.61746147
   0.28541248  0.68514655 -0.05828483
   0.01820041  0.69308554  0.94572588
   0.62081437  0.04115583  0.08949067
   0.84446995  0.21503450  0.23079095
   0.63425079  0.28520976  0.01090803
   0.83936426  0.44959166  0.33025420
   0.03834567  0.37670164  0.17703651
   0.78921112  0.42261850  0.11446984
   0.69133704  0.18739813  0.38734345
   0.46245479  0.15105435  0.46167376
   0.66484076  0.06216641  0.55231717
   0.90657804  0.28539504  0.83702932
   0.61244512  0.31552537  0.54521283
   0.86365681  0.53748769  0.83367935
   1.05576746  0.50263596  0.56161868
   0.74046547  0.39214185  0.70193268
   0.78798343  0.09279020  0.92398556
   0.51303593  0.07747062  0.93113982
   0.54727053  0.53477303  0.04323126
   0.88665459  0.71485016  0.28464641
   0.55783926  0.80984801  0.02616739
   0.83610368  0.98697256  0.30294576
   0.93130077  0.89041075  0.15720828
   0.67973650  0.82295861  0.20097031
   0.84048028  0.64709856  0.45148613
   0.57091643  0.60081583  0.41620541
   0.65189717  0.59246825  0.59300279
   0.85197707  0.80384161  0.82055295
   0.63145525  0.83553344  0.47633198
   0.99219488  1.02259788  0.80232794
   1.01670530  0.83114688  0.67484963
   0.77385168  0.98121841  0.69908663
   0.75255021  0.67246259  0.96497336
   0.51994230  0.65117051  0.87328313
   0.78388158  0.79743534  0.59016275
   0.58909524  0.91489997  0.42569039
   0.91572146  0.22376420  0.07197093
   0.67726511  1.07990546  0.13878023
   0.44596694  0.10917209  0.61235850
   0.32050279  1.08532357  0.99570413
   0.33632048  0.89065531 -0.59487146
   0.33073124  1.05318080  0.05192680
   0.65570623  0.39888486  0.86487698
   0.59100959  0.65198344  0.62764665
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911961    0.218155   -0.108852
    -0.000000   10.032936    0.191489
    -0.000000    0.000000   14.249255
   Si   O    H 
    32    64    10
Direct configuration=  3159
   0.17810936  0.16912373  0.01650104
   0.35280437  0.13642017  0.38246955
   0.16781220  0.43253984  0.11519760
   0.42377253  0.34322156  0.23700085
   0.07027292  0.12249824  0.48068201
   0.41081225  0.12281194  0.84397437
   0.15323581  0.37032918  0.58812698
   0.37818789  0.38490098  0.74485159
   0.15399707  0.71448478  0.00389241
   0.43337020  0.58621984  0.36020528
   0.09012693  0.93614620  0.13974579
   0.33061134  0.84626258  0.26062491
   0.16916457  0.57759038  0.48625536
   0.35556703  0.62549991  0.84581098
   0.11476140  0.86055498  0.59274350
   0.40258373  0.97744744  0.65924181
   0.64969638  0.13157562  0.98193923
   0.82938286  0.15171537  0.32940908
   0.63231283  0.40760614  0.08822821
   0.90379961  0.31015418  0.14724248
   0.61453413  0.17870266  0.49180688
   0.94068551  0.13547517  0.87202809
   0.62428240  0.42901490  0.62018879
   0.78671121  0.40136770  0.81175646
   0.58710715  0.66933522 -0.02662679
   0.91688339  0.57660269  0.35278272
   0.56696245  0.88139564  0.12567161
   0.84077807  0.85173660  0.24325881
   0.68855507  0.66856075  0.47402118
   0.87463115  0.67310980  0.89182933
   0.69220816  0.91677041  0.61070436
   0.90770508  0.90347319  0.74192685
   0.14102409  0.08859145  0.12287803
   0.39760169  0.18899313  0.28302285
   0.18411382  0.33320348  0.02489279
   0.43837504  0.44161173  0.32201617
   0.55529930  0.35961454  0.18034991
   0.29713307  0.40789796  0.18150842
   0.20381220  0.14741457  0.41707397
  -0.05014382  0.15851793  0.40460938
   0.04784079 -0.02227825  0.52345858
   0.45876955  0.24889399  0.77898591
   0.08014109  0.22927896  0.57263390
   0.35423131  0.46187870  0.84345831
   0.49027783  0.46304171  0.67927333
   0.23465584  0.34815882  0.69242486
   0.28258056  0.14924427 -0.09550983
   0.05801578  0.13315792  0.95275720
   0.15099081  0.58721057  0.08379127
   0.38738779  0.69611178  0.28470583
   0.16165534  0.86272174  0.05122749
   0.37280275  0.93790385  0.35783562
   0.42782549  0.91175356  0.18206731
   0.16903703  0.87572639  0.24040581
   0.32535094  0.63221789  0.44579313
   0.07770617  0.55951299  0.38798574
   0.26143347  0.41186334  0.50659028
   0.30028062  0.69739954  0.75387567
   0.14421025  0.72506476  0.53653813
   0.40128827  1.00123049  0.77132915
   0.53728714  0.86943280  0.64343872
   0.25794509  0.92435735  0.61771328
   0.28667866  0.68527147 -0.05817873
   0.01753175  0.69434050  0.94550966
   0.62136693  0.03981345  0.09061592
   0.84571482  0.21632398  0.23091270
   0.63369413  0.28490625  0.01184824
   0.83881443  0.45099031  0.32951985
   0.03851481  0.37748098  0.17497970
   0.78959460  0.42248337  0.11460755
   0.69107478  0.18820115  0.38756293
   0.46105405  0.15254411  0.46259098
   0.66402336  0.06264248  0.55292196
   0.90640695  0.28477762  0.83729457
   0.61145198  0.31347606  0.54491774
   0.86471506  0.53611460  0.83196090
   1.05569089  0.50329958  0.56230761
   0.74083720  0.39187314  0.70299362
   0.78814015  0.09187174  0.92388841
   0.51437565  0.07864025  0.93113358
   0.54847174  0.53605300  0.04277774
   0.88690269  0.71556803  0.28441860
   0.55798648  0.81032849  0.02711199
   0.83760596  0.98782064  0.30298071
   0.93144467  0.89059764  0.15658062
   0.68176350  0.82342303  0.20121280
   0.84084633  0.64749197  0.45048032
   0.57130864  0.59971679  0.41615462
   0.65074061  0.59308117  0.59362639
   0.85261040  0.80360358  0.82122606
   0.63168112  0.83672264  0.47630350
   0.99265857  1.02150564  0.80121350
   1.01593212  0.83040025  0.67412648
   0.77293337  0.98287095  0.69944844
   0.75335065  0.67303161  0.96492537
   0.51897135  0.65055685  0.87315456
   0.78564828  0.80084139  0.58691581
   0.60340520  0.90667269  0.42356904
   0.91332137  0.22513272  0.06746977
   0.67883114  1.07597716  0.13594926
   0.44384304  0.09971643  0.61255938
   0.32727631  1.08168722  1.00534740
   0.32999403  0.87732440 -0.57639106
   0.32958985  1.06467508  0.05899231
   0.65649889  0.39200987  0.86894782
   0.58531582  0.65404870  0.62250128
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914702    0.218404   -0.109265
    -0.000000   10.031767    0.195689
    -0.000000    0.000000   14.248906
   Si   O    H 
    32    64    10
Direct configuration=  3160
   0.17929187  0.16823640  0.01734367
   0.35299072  0.13606819  0.38323385
   0.16784385  0.43267886  0.11466053
   0.42368685  0.34388344  0.23744795
   0.07000020  0.12233335  0.48084623
   0.41101927  0.12109428  0.84521697
   0.15269752  0.36970238  0.58754821
   0.37838109  0.38569774  0.74429098
   0.15622904  0.71325168  0.00346511
   0.43349664  0.58611301  0.36012016
   0.08986568  0.93536137  0.13916936
   0.33020072  0.84812485  0.26103127
   0.16925402  0.57863707  0.48609644
   0.35624935  0.62351956  0.84606816
   0.11373577  0.86112519  0.59206489
   0.40236100  0.97697887  0.65940501
   0.65039080  0.13144114  0.98174738
   0.82972666  0.15003191  0.32918911
   0.63306135  0.40639841  0.08782811
   0.90440138  0.31030500  0.14826381
   0.61471594  0.17897188  0.49122808
   0.94048578  0.13517255  0.87240936
   0.62438248  0.42870915  0.62082106
   0.78573641  0.40283763  0.81182337
   0.58607993  0.66844816 -0.02731699
   0.91535842  0.57833297  0.35264079
   0.56746041  0.88422200  0.12497159
   0.84069409  0.85111883  0.24320979
   0.68783903  0.66858292  0.47361132
   0.87620979  0.67223286  0.89183227
   0.69153976  0.91717694  0.61101520
   0.90900273  0.90393966  0.74183332
   0.14097074  0.08872033  0.12267414
   0.39615127  0.18963434  0.28179190
   0.18345465  0.33167599  0.02626245
   0.43702423  0.44062637  0.32270841
   0.55489366  0.35972140  0.17951206
   0.29757178  0.40749468  0.18097675
   0.20299623  0.14872885  0.41691844
  -0.05001061  0.15791675  0.40505191
   0.04921297 -0.02072974  0.52363187
   0.45763592  0.24919303  0.77902149
   0.07741480  0.22839802  0.57314839
   0.35163395  0.46083493  0.84360554
   0.49057698  0.46220035  0.67820152
   0.23480147  0.34616990  0.69306165
   0.28240697  0.15041109 -0.09560739
   0.05736705  0.13160350  0.95225245
   0.15083168  0.58677939  0.08397862
   0.38911065  0.69835958  0.28327342
   0.16021837  0.86249734  0.05093879
   0.37226526  0.93695808  0.35714830
   0.42999215  0.91178683  0.18267798
   0.16989924  0.87737058  0.23945565
   0.32440150  0.63215237  0.44733287
   0.07804208  0.55874023  0.38742708
   0.26181085  0.41201899  0.50580764
   0.30173065  0.69689665  0.75327946
   0.14395939  0.72534662  0.53578746
   0.39991614  1.00022505  0.77217316
   0.53755406  0.86940270  0.64414768
   0.25716782  0.92509203  0.61772605
   0.28736771  0.68482966 -0.05799695
   0.01643499  0.69572813  0.94559391
   0.62072712  0.03901564  0.09143919
   0.84654222  0.21618682  0.23029152
   0.63343244  0.28424369  0.01252434
   0.83815673  0.45179488  0.32882621
   0.03933766  0.37877640  0.17322668
   0.79017805  0.42200088  0.11453628
   0.69070186  0.18845444  0.38746729
   0.46010803  0.15404787  0.46308668
   0.66418270  0.06292054  0.55392934
   0.90652972  0.28412823  0.83744677
   0.61120899  0.31228409  0.54471101
   0.86641397  0.53488944  0.83076109
   1.05580708  0.50327625  0.56298275
   0.74158199  0.39123710  0.70370271
   0.78864308  0.09191453  0.92400421
   0.51520700  0.07910778  0.93113639
   0.54921163  0.53796633  0.04246052
   0.88751309  0.71552276  0.28487475
   0.55750321  0.81091351  0.02775035
   0.83859052  0.98784807  0.30315508
   0.93296175  0.89179988  0.15593618
   0.68354574  0.82353136  0.20152880
   0.84102943  0.64763133  0.44963090
   0.57354796  0.59848999  0.41582168
   0.65134334  0.59378487  0.59412974
   0.85283773  0.80327763  0.82144210
   0.63112423  0.83794243  0.47522168
   0.99196241  1.02062709  0.80001343
   1.01522347  0.82933457  0.67352656
   0.77198042  0.98433702  0.69981332
   0.75324425  0.67404733  0.96529397
   0.51795748  0.65011617  0.87277891
   0.78937146  0.80204180  0.58567588
   0.61935506  0.89175107  0.42541455
   0.91195774  0.22289794  0.06152502
   0.69002272  1.07780905  0.14289631
   0.43930659  0.08549535  0.61325332
   0.33033631  1.07808569  1.00873976
   0.33175550  0.87221587 -0.56722953
   0.33225609  1.07251740  0.06888114
   0.66200550  0.38284256  0.87248055
   0.58020307  0.65579911  0.61813516
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917692    0.218338   -0.109517
    -0.000000   10.030242    0.200282
    -0.000000    0.000000   14.248924
   Si   O    H 
    32    64    10
Direct configuration=  3161
   0.18062423  0.16669410  0.01795244
   0.35312291  0.13582739  0.38389896
   0.16805779  0.43290340  0.11402550
   0.42383832  0.34380111  0.23798169
   0.06976356  0.12232775  0.48110642
   0.41152126  0.12054390  0.84602519
   0.15222997  0.36858487  0.58700681
   0.37805985  0.38627135  0.74369648
   0.15834101  0.71150083  0.00327185
   0.43324520  0.58598345  0.36045839
   0.08921648  0.93401509  0.13869252
   0.32960181  0.84985426  0.26159211
   0.16945862  0.57923793  0.48653734
   0.35631779  0.62278798  0.84565431
   0.11229288  0.86146642  0.59103114
   0.40244944  0.97598605  0.65949510
   0.65088715  0.13128497  0.98141524
   0.82970863  0.14859124  0.32956798
   0.63352288  0.40534588  0.08692485
   0.90474049  0.31093828  0.14902235
   0.61548504  0.17960325  0.49013437
   0.93974650  0.13436290  0.87296873
   0.62505330  0.42883233  0.62145866
   0.78482859  0.40404271  0.81204002
   0.58582552  0.66807864 -0.02765085
   0.91406827  0.58007194  0.35231557
   0.56854632  0.88616770  0.12479152
   0.84019758  0.85091467  0.24322447
   0.68746603  0.66860399  0.47307338
   0.87757858  0.67109363  0.89151859
   0.69090423  0.91795761  0.61091746
   0.91016704  0.90456198  0.74177498
   0.14019031  0.08969612  0.12201199
   0.39558890  0.19067117  0.28031244
   0.18349757  0.32923549  0.02647481
   0.43613989  0.43878106  0.32358637
   0.55417706  0.35942296  0.17917863
   0.29725844  0.40734281  0.18020045
   0.20267445  0.14917243  0.41662956
  -0.04969500  0.15718067  0.40582307
   0.05129825 -0.02007084  0.52357916
   0.45600189  0.24998944  0.77894005
   0.07463634  0.22730908  0.57308350
   0.34905136  0.45990969  0.84329840
   0.49021684  0.46187154  0.67730595
   0.23507156  0.34440020  0.69404551
   0.28149973  0.15138636 -0.09558514
   0.05627655  0.12989584  0.95192179
   0.15130657  0.58700189  0.08381306
   0.39015340  0.70005649  0.28197853
   0.15943928  0.86153054  0.05111703
   0.37111039  0.93603579  0.35708492
   0.43208590  0.91209316  0.18289256
   0.17074492  0.87888795  0.23827141
   0.32422414  0.63185005  0.44881078
   0.07768738  0.55763462  0.38665693
   0.26244114  0.41271538  0.50512664
   0.30307452  0.69604259  0.75334071
   0.14281513  0.72549509  0.53515037
   0.39808161  0.99937959  0.77284122
   0.53737578  0.86938315  0.64471954
   0.25666301  0.92541744  0.61795551
   0.28802140  0.68473879 -0.05753131
   0.01569242  0.69676566  0.94490526
   0.62099562  0.03869790  0.09243677
   0.84673768  0.21563002  0.22957677
   0.63318753  0.28358749  0.01325776
   0.83722382  0.45172790  0.32783955
   0.04124927  0.38044480  0.17182278
   0.79084484  0.42195197  0.11451175
   0.69007185  0.18874831  0.38729987
   0.45943325  0.15653492  0.46336581
   0.66468785  0.06302885  0.55455646
   0.90564248  0.28419589  0.83663000
   0.61216392  0.31118121  0.54488056
   0.86791158  0.53450256  0.82992191
   1.05604638  0.50336102  0.56406871
   0.74268808  0.38984122  0.70429340
   0.78979262  0.09207759  0.92374795
   0.51617272  0.07943126  0.93168118
   0.54951443  0.54049227  0.04174573
   0.88854559  0.71491148  0.28483334
   0.55679830  0.81102588  0.02833689
   0.84019083  0.98777576  0.30326266
   0.93515691  0.89257784  0.15539279
   0.68506269  0.82387107  0.20236351
   0.84092940  0.64789197  0.44898696
   0.57482463  0.59689709  0.41593538
   0.65114942  0.59516129  0.59414582
   0.85279305  0.80256896  0.82150616
   0.63094702  0.83765077  0.47532602
   0.99210354  1.01932091  0.79871582
   1.01474233  0.82895922  0.67360362
   0.77111981  0.98516597  0.70039894
   0.75272680  0.67483506  0.96630296
   0.51715483  0.65022058  0.87274309
   0.79391413  0.80585617  0.58632142
   0.63005621  0.89150052  0.41478826
   0.90677077  0.22539700  0.06188255
   0.69301302  1.07494260  0.14392607
   0.43707732  0.08794026  0.60862946
   0.33206198  1.07169862  1.01123773
   0.33985388  0.87226964 -0.56741007
   0.33487082  1.08048714  0.07751052
   0.67210084  0.37482969  0.87416633
   0.57456061  0.65597633  0.61644418
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920782    0.218719   -0.109606
    -0.000000   10.028174    0.204268
    -0.000000    0.000000   14.248835
   Si   O    H 
    32    64    10
Direct configuration=  3162
   0.18167043  0.16510645  0.01798213
   0.35267111  0.13492081  0.38425785
   0.16885165  0.43263404  0.11350980
   0.42355746  0.34422328  0.23831840
   0.06914930  0.12270789  0.48145770
   0.41125648  0.12014467  0.84683508
   0.15199746  0.36784721  0.58644995
   0.37789186  0.38691586  0.74322973
   0.15978931  0.71010441  0.00314225
   0.43242769  0.58628837  0.36072529
   0.08854900  0.93344368  0.13858139
   0.32883212  0.85190541  0.26221146
   0.17003183  0.57941180  0.48702495
   0.35657177  0.62267094  0.84534791
   0.11121748  0.86154658  0.59039490
   0.40209602  0.97437540  0.65926467
   0.65133160  0.13078248  0.98106280
   0.82975011  0.14752457  0.33006601
   0.63381745  0.40463819  0.08619185
   0.90459053  0.31198259  0.14958511
   0.61615362  0.18025343  0.48853914
   0.93894223  0.13292371  0.87322691
   0.62563772  0.42861445  0.62215341
   0.78362699  0.40491031  0.81198009
   0.58607172  0.66784565 -0.02785711
   0.91286129  0.58154344  0.35182092
   0.56939759  0.88709240  0.12473993
   0.83994207  0.85096885  0.24317078
   0.68631567  0.66903965  0.47227755
   0.87888625  0.67043688  0.89103972
   0.69055122  0.91875422  0.61069055
   0.91153106  0.90554878  0.74206184
   0.13889638  0.09097568  0.12115814
   0.39476166  0.19228376  0.27857599
   0.18372935  0.32728577  0.02650398
   0.43476973  0.43701720  0.32420060
   0.55448918  0.35909099  0.17917528
   0.29686823  0.40771338  0.17924602
   0.20260200  0.14948997  0.41607146
  -0.05018957  0.15680082  0.40631817
   0.05287551 -0.01999674  0.52364763
   0.45506585  0.25026593  0.77924686
   0.07333384  0.22619318  0.57297381
   0.34646417  0.45948388  0.84298431
   0.49064551  0.46213947  0.67703414
   0.23459910  0.34351430  0.69412477
   0.28079765  0.15284154 -0.09507266
   0.05561891  0.12747252  0.95203705
   0.15204875  0.58698927  0.08318842
   0.39134968  0.70134667  0.28017797
   0.15913355  0.86006603  0.05147401
   0.36878559  0.93579848  0.35760955
   0.43365092  0.91207558  0.18362105
   0.17140961  0.88038488  0.23704986
   0.32454953  0.63101754  0.44990698
   0.07679390  0.55562232  0.38581849
   0.26271409  0.41322451  0.50442552
   0.30496069  0.69478989  0.75322501
   0.14200521  0.72570062  0.53405986
   0.39637833  0.99821171  0.77380309
   0.53735297  0.86937701  0.64500560
   0.25604271  0.92498637  0.61813369
   0.28893526  0.68452549 -0.05706200
   0.01476910  0.69809049  0.94497297
   0.62238303  0.03905656  0.09365358
   0.84727794  0.21481816  0.22846489
   0.63318137  0.28330370  0.01415721
   0.83697180  0.45174090  0.32712487
   0.04323238  0.38260372  0.17107630
   0.79108708  0.42151866  0.11479035
   0.68961755  0.18940756  0.38692434
   0.45791966  0.15942908  0.46309658
   0.66564524  0.06188288  0.55531872
   0.90450612  0.28465462  0.83594132
   0.61335539  0.31058507  0.54536087
   0.86921146  0.53488831  0.82913120
   1.05693502  0.50289477  0.56544286
   0.74321762  0.38888515  0.70450540
   0.79101739  0.09091217  0.92364800
   0.51768090  0.08006021  0.93280856
   0.55036775  0.54238765  0.04094560
   0.88962891  0.71369481  0.28490288
   0.55529627  0.81041826  0.02825129
   0.84164367  0.98696103  0.30340325
   0.93694244  0.89328668  0.15498658
   0.68601922  0.82427105  0.20318515
   0.84096496  0.64834360  0.44872637
   0.57594389  0.59562933  0.41617928
   0.65093255  0.59647332  0.59385240
   0.85292311  0.80185786  0.82126967
   0.63094993  0.83728010  0.47575845
   0.99227537  1.01815951  0.79823634
   1.01377883  0.82790607  0.67372649
   0.77086761  0.98563736  0.70101919
   0.75194088  0.67647809  0.96735653
   0.51632135  0.65008707  0.87268774
   0.79722760  0.81082506  0.58921461
   0.63807663  0.88815576  0.40781342
   0.90445464  0.22680154  0.06475209
   0.68748342  1.07115087  0.13993497
   0.43506031  0.09315073  0.60195367
   0.33264091  1.06537491  1.01976591
   0.35093084  0.87871950 -0.57834165
   0.34021992  1.08901602  0.07996963
   0.68338374  0.37120044  0.87764935
   0.57220231  0.65176399  0.61454769
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.924138    0.219014   -0.109649
    -0.000000   10.026330    0.208622
    -0.000000    0.000000   14.248634
   Si   O    H 
    32    64    10
Direct configuration=  3163
   0.18263350  0.16354158  0.01811376
   0.35254211  0.13400872  0.38422961
   0.16947916  0.43269177  0.11288862
   0.42342226  0.34474923  0.23844165
   0.06901737  0.12384328  0.48143350
   0.41071349  0.11983350  0.84747776
   0.15172952  0.36734925  0.58598835
   0.37725518  0.38712151  0.74316095
   0.16094037  0.70830140  0.00329372
   0.43126262  0.58684485  0.36110633
   0.08798307  0.93332800  0.13852545
   0.32829730  0.85407142  0.26283780
   0.17052704  0.58017711  0.48746540
   0.35710290  0.62271852  0.84526077
   0.11085537  0.86147851  0.58977589
   0.40246939  0.97322372  0.65906572
   0.65189958  0.13050636  0.98074066
   0.82971628  0.14632601  0.33077411
   0.63353650  0.40336594  0.08567989
   0.90434915  0.31311811  0.14980350
   0.61712679  0.18083168  0.48653190
   0.93838423  0.13161169  0.87333685
   0.62655672  0.42857255  0.62302544
   0.78227570  0.40563008  0.81245128
   0.58611244  0.66757480 -0.02830947
   0.91142390  0.58319783  0.35163086
   0.57001255  0.88803994  0.12467410
   0.83995299  0.85137052  0.24318446
   0.68551288  0.66986542  0.47174156
   0.88031210  0.67035822  0.89067628
   0.68993826  0.91926770  0.61094394
   0.91229606  0.90579250  0.74245212
   0.13845016  0.09161208  0.12076278
   0.39385479  0.19309620  0.27734414
   0.18375962  0.32585329  0.02658733
   0.43330753  0.43533528  0.32542568
   0.55551558  0.35852744  0.17918400
   0.29694558  0.40747914  0.17847700
   0.20268188  0.14900480  0.41605300
  -0.05080830  0.15661194  0.40709291
   0.05370890 -0.02088685  0.52376926
   0.45414044  0.25012793  0.77977654
   0.07184632  0.22459286  0.57265807
   0.34423029  0.45912433  0.84268133
   0.49056664  0.46241012  0.67704703
   0.23316950  0.34294584  0.69417949
   0.28026735  0.15428453 -0.09375705
   0.05429177  0.12484191  0.95235831
   0.15236162  0.58777385  0.08228272
   0.39181376  0.70177907  0.27867484
   0.15889414  0.85866467  0.05134973
   0.36643329  0.93572384  0.35852333
   0.43459295  0.91317812  0.18407239
   0.17171271  0.88202148  0.23595332
   0.32529763  0.62985120  0.45052559
   0.07595676  0.55428718  0.38493615
   0.26363905  0.41421071  0.50426186
   0.30773655  0.69406098  0.75328956
   0.14104007  0.72582808  0.53262099
   0.39509462  0.99772992  0.77480830
   0.53766962  0.86938647  0.64508397
   0.25567570  0.92340882  0.61837134
   0.28953747  0.68493835 -0.05679119
   0.01431771  0.69920989  0.94549941
   0.62310115  0.03993497  0.09409509
   0.84724848  0.21302725  0.22744205
   0.63299405  0.28286926  0.01485311
   0.83663002  0.45163983  0.32663733
   0.04527263  0.38404083  0.17059929
   0.79188687  0.42228710  0.11499399
   0.68974904  0.18973324  0.38674270
   0.45658205  0.16218501  0.46241345
   0.66668279  0.06108573  0.55530371
   0.90376505  0.28469505  0.83513924
   0.61400840  0.31121570  0.54619559
   0.87081843  0.53601967  0.82873155
   1.05730833  0.50186043  0.56641581
   0.74282356  0.38816930  0.70394641
   0.79129840  0.08917850  0.92335673
   0.51843982  0.08015436  0.93431313
   0.55100296  0.54348090  0.03994083
   0.89136479  0.71254197  0.28524474
   0.55388726  0.81062305  0.02793286
   0.84270079  0.98539367  0.30395681
   0.93870005  0.89360496  0.15431311
   0.68693644  0.82516307  0.20334528
   0.84103940  0.64813447  0.44872139
   0.57696553  0.59427807  0.41591346
   0.65054600  0.59756396  0.59317676
   0.85332625  0.80133837  0.82097388
   0.63116702  0.83738719  0.47587993
   0.99238007  1.01731277  0.79785798
   1.01197935  0.82715593  0.67391439
   0.77140747  0.98640445  0.70148583
   0.75122118  0.67760818  0.96835529
   0.51625936  0.65010350  0.87268218
   0.80055492  0.81470581  0.59199041
   0.64373987  0.87600231  0.40982178
   0.90264828  0.22819261  0.06962460
   0.68473800  1.06878065  0.13911114
   0.43465646  0.09728833  0.59673405
   0.33625056  1.05875161  1.03020679
   0.36214984  0.88856433 -0.59208972
   0.34798786  1.09761308  0.07713247
   0.69099264  0.37291113  0.88138714
   0.57026977  0.64609946  0.61088032
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927527    0.219726   -0.110051
    -0.000000   10.024283    0.213293
    -0.000000    0.000000   14.248225
   Si   O    H 
    32    64    10
Direct configuration=  3164
   0.18341709  0.16259338  0.01818234
   0.35258400  0.13295029  0.38411392
   0.17043140  0.43280347  0.11186925
   0.42338963  0.34400534  0.23869866
   0.06947835  0.12462931  0.48113001
   0.41014273  0.12016641  0.84790871
   0.15149137  0.36670664  0.58523443
   0.37620863  0.38678231  0.74328957
   0.16163912  0.70627010  0.00337520
   0.43028061  0.58821300  0.36124726
   0.08781837  0.93316987  0.13835758
   0.32811066  0.85582418  0.26319514
   0.17146150  0.58039146  0.48723652
   0.35761118  0.62302497  0.84521197
   0.11071841  0.86021703  0.58900794
   0.40317130  0.97169681  0.65888555
   0.65286413  0.13021190  0.98058053
   0.82954620  0.14465439  0.33118275
   0.63356054  0.40294029  0.08537666
   0.90420971  0.31375551  0.15001536
   0.61822512  0.18141501  0.48457839
   0.93759944  0.13038597  0.87359305
   0.62777616  0.42875951  0.62356336
   0.78202387  0.40604463  0.81330224
   0.58649960  0.66720721 -0.02818147
   0.91056080  0.58453212  0.35127075
   0.57013310  0.88850695  0.12503335
   0.84035261  0.85235632  0.24334173
   0.68465325  0.67040721  0.47135037
   0.88126325  0.67052443  0.88999919
   0.68867623  0.91976154  0.61130614
   0.91241404  0.90554501  0.74277042
   0.13782548  0.09142896  0.12047476
   0.39240464  0.19332128  0.27645604
   0.18421833  0.32395402  0.02664471
   0.43184640  0.43417335  0.32688065
   0.55645852  0.35794706  0.17879133
   0.29743690  0.40691686  0.17812284
   0.20300694  0.14846127  0.41584499
  -0.05066213  0.15663172  0.40825194
   0.05451173 -0.02062090  0.52384639
   0.45333531  0.24983634  0.78050117
   0.07118791  0.22276426  0.57251759
   0.34093670  0.45893919  0.84249396
   0.48958778  0.46219026  0.67725093
   0.23226639  0.34216095  0.69368948
   0.28073106  0.15511180 -0.09269099
   0.05264601  0.12300697  0.95303112
   0.15328230  0.58826541  0.08086675
   0.39244327  0.70133540  0.27752362
   0.15870422  0.85689733  0.05132213
   0.36475192  0.93677366  0.35798311
   0.43465847  0.91342570  0.18433180
   0.17309914  0.88395124  0.23523008
   0.32599677  0.62890578  0.45008557
   0.07481916  0.55363115  0.38441667
   0.26433311  0.41499072  0.50437470
   0.31056409  0.69342875  0.75324542
   0.13967030  0.72697126  0.53210257
   0.39319130  0.99669432  0.77555912
   0.53816351  0.86952624  0.64520660
   0.25568291  0.92200489  0.61850373
   0.29029656  0.68522629 -0.05685349
   0.01539694  0.69931291  0.94629787
   0.62295970  0.04108411  0.09360156
   0.84678854  0.21183036  0.22735271
   0.63361358  0.28187170  0.01599369
   0.83704704  0.45178038  0.32593239
   0.04643085  0.38423852  0.17024921
   0.79165166  0.42348569  0.11498119
   0.69066158  0.19040739  0.38613467
   0.45653019  0.16498615  0.46101534
   0.66682055  0.06013465  0.55559352
   0.90333583  0.28420715  0.83418504
   0.61494622  0.31315461  0.54729890
   0.87186403  0.53649325  0.82847105
   1.05838377  0.50118810  0.56737426
   0.74236848  0.38675977  0.70288526
   0.79178348  0.08784391  0.92355363
   0.51855511  0.07913644  0.93518056
   0.55232514  0.54408567  0.03926326
   0.89229950  0.71097502  0.28537073
   0.55272120  0.81124597  0.02791313
   0.84426508  0.98439663  0.30457007
   0.93974530  0.89374730  0.15318253
   0.68662142  0.82520563  0.20261416
   0.84085074  0.64744154  0.44854820
   0.57767000  0.59323570  0.41552396
   0.64995340  0.59802118  0.59158583
   0.85407799  0.80088430  0.82077855
   0.63058609  0.83696259  0.47515137
   0.99213871  1.01658755  0.79768300
   1.01021773  0.82633904  0.67388141
   0.77199727  0.98683571  0.70243615
   0.75192177  0.67766554  0.96940503
   0.51597904  0.64978596  0.87247714
   0.80230214  0.82002601  0.59491797
   0.64701114  0.86088319  0.41553722
   0.90345599  0.22683050  0.07104587
   0.69280310  1.07111506  0.14660099
   0.43064910  0.09428011  0.59500237
   0.34072032  1.04896744  1.03521260
   0.37028247  0.87166812 -0.57614040
   0.35846711  1.10401747  0.07845879
   0.69022804  0.37236080  0.88661815
   0.56695330  0.64203799  0.60677247
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.930550    0.220003   -0.110331
    -0.000000   10.022103    0.218111
    -0.000000    0.000000   14.247651
   Si   O    H 
    32    64    10
Direct configuration=  3165
   0.18339381  0.16111420  0.01789142
   0.35336471  0.13223289  0.38365998
   0.17133746  0.43329065  0.11063954
   0.42305733  0.34336375  0.23895489
   0.07050951  0.12546838  0.48067038
   0.40932199  0.12044434  0.84768903
   0.15148750  0.36650530  0.58406072
   0.37526334  0.38667261  0.74343492
   0.16156106  0.70432998  0.00296183
   0.43025737  0.58963727  0.36120881
   0.08787239  0.93323999  0.13793341
   0.32728855  0.85678143  0.26326933
   0.17183259  0.58022762  0.48649989
   0.35782971  0.62314403  0.84537845
   0.11125205  0.85877493  0.58827476
   0.40384423  0.97024901  0.65897745
   0.65361485  0.12960042  0.98067930
   0.82963859  0.14320775  0.33169346
   0.63311205  0.40256325  0.08517430
   0.90359549  0.31478549  0.15034065
   0.61862518  0.18181386  0.48298894
   0.93720964  0.13011457  0.87377086
   0.62925208  0.42858030  0.62391014
   0.78202045  0.40566953  0.81370435
   0.58682739  0.66640987 -0.02820373
   0.91020293  0.58545070  0.35172311
   0.57076379  0.88937979  0.12574685
   0.84082349  0.85334606  0.24336051
   0.68441524  0.67074932  0.47138050
   0.88114974  0.67102733  0.88975648
   0.68807614  0.92107041  0.61218942
   0.91184080  0.90538099  0.74301295
   0.13689518  0.09132734  0.11956487
   0.39139638  0.19284553  0.27622368
   0.18393059  0.32206903  0.02655876
   0.43194884  0.43417704  0.32891523
   0.55715811  0.35722037  0.17805025
   0.29749572  0.40681119  0.17735310
   0.20230534  0.14810858  0.41558555
  -0.05042718  0.15640676  0.40943293
   0.05499246 -0.02082755  0.52349014
   0.45165424  0.24972913  0.78176500
   0.07034042  0.22144884  0.57241639
   0.33756898  0.45900174  0.84172600
   0.48850175  0.46205241  0.67717302
   0.23134064  0.34209265  0.69318172
   0.28189983  0.15594933 -0.09082784
   0.05144456  0.12153961  0.95310272
   0.15380231  0.58892025  0.07942856
   0.39244280  0.70094406  0.27676692
   0.15893827  0.85462407  0.05126898
   0.36439540  0.93690104  0.35863004
   0.43504023  0.91425383  0.18399608
   0.17481812  0.88487595  0.23515058
   0.32668135  0.62795316  0.44869259
   0.07321442  0.55374569  0.38359594
   0.26436285  0.41477628  0.50473543
   0.31243195  0.69296170  0.75268513
   0.13831539  0.72896417  0.53145462
   0.39187012  0.99633101  0.77611898
   0.53888553  0.86973596  0.64471645
   0.25653920  0.92004614  0.61871081
   0.29175097  0.68588686 -0.05700302
   0.01718310  0.69986619  0.94745872
   0.62233427  0.04230963  0.09359000
   0.84639931  0.21003661  0.22670137
   0.63405584  0.28060549  0.01652953
   0.83740498  0.45142630  0.32535224
   0.04701760  0.38417273  0.17043326
   0.79153618  0.42499386  0.11587629
   0.69142933  0.19087242  0.38479312
   0.45673470  0.16741540  0.46038194
   0.66670269  0.05969531  0.55483854
   0.90280368  0.28343506  0.83351827
   0.61568710  0.31516839  0.54875680
   0.87292711  0.53762176  0.82876487
   1.05923463  0.50017771  0.56856779
   0.74244595  0.38488364  0.70156510
   0.79226854  0.08710070  0.92408864
   0.51877550  0.07825840  0.93654905
   0.55359641  0.54466833  0.03863774
   0.89346028  0.70983434  0.28595252
   0.55151423  0.81214660  0.02849416
   0.84520515  0.98379876  0.30553061
   0.93968693  0.89404176  0.15242985
   0.68564888  0.82540763  0.20188508
   0.83938286  0.64682852  0.44837061
   0.57818202  0.59277534  0.41462353
   0.65055650  0.59801843  0.58928082
   0.85489371  0.80101522  0.82093244
   0.62953493  0.83666713  0.47520835
   0.99156052  1.01686704  0.79755151
   1.00791526  0.82543296  0.67377887
   0.77295241  0.98669240  0.70303862
   0.75324283  0.67838791  0.97007366
   0.51587810  0.64982707  0.87251805
   0.80151816  0.82407610  0.59565980
   0.65460658  0.85608895  0.40893351
   0.90678837  0.22325063  0.07024050
   0.69250705  1.07292753  0.14617041
   0.42465202  0.08705753  0.59673879
   0.34474991  1.04059039  1.04057940
   0.37775895  0.86356892 -0.56979048
   0.36621326  1.10663654  0.07814306
   0.68614267  0.36845106  0.89280677
   0.55880488  0.64523957  0.60609595
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.933613    0.219932   -0.111041
    -0.000000   10.019550    0.222646
    -0.000000    0.000000   14.246665
   Si   O    H 
    32    64    10
Direct configuration=  3166
   0.18342854  0.15986514  0.01730189
   0.35391332  0.13111450  0.38311763
   0.17218256  0.43328123  0.10958359
   0.42244572  0.34374503  0.23889389
   0.07110679  0.12651859  0.48028551
   0.40899861  0.12055446  0.84777337
   0.15187110  0.36623643  0.58311384
   0.37422221  0.38649602  0.74389891
   0.16096769  0.70271727  0.00278723
   0.43059470  0.59064282  0.36169312
   0.08846806  0.93304232  0.13771333
   0.32684595  0.85717896  0.26354537
   0.17268063  0.57911011  0.48561211
   0.35777558  0.62306117  0.84544313
   0.11182296  0.85781442  0.58740951
   0.40467695  0.96850553  0.65914090
   0.65418259  0.12904799  0.98088537
   0.82974827  0.14219245  0.33207202
   0.63253351  0.40233344  0.08527691
   0.90231846  0.31629929  0.15033046
   0.61993069  0.18198786  0.48146491
   0.93654460  0.12962245  0.87376546
   0.63119717  0.42804512  0.62417608
   0.78204296  0.40498223  0.81437103
   0.58792123  0.66584490 -0.02789856
   0.91042249  0.58561056  0.35229745
   0.57138553  0.89025446  0.12675936
   0.84162529  0.85407732  0.24351787
   0.68450963  0.67093753  0.47156224
   0.88086942  0.67157597  0.88948145
   0.68767651  0.92239793  0.61320902
   0.91101688  0.90523794  0.74368953
   0.13610492  0.09120790  0.11908889
   0.39027467  0.19172465  0.27623350
   0.18417167  0.32029385  0.02680416
   0.43312803  0.43447578  0.33040727
   0.55752225  0.35666917  0.17717656
   0.29785714  0.40667237  0.17664132
   0.20210235  0.14677431  0.41507292
  -0.05080315  0.15644161  0.41053774
   0.05542977 -0.02126198  0.52220325
   0.45030718  0.24829031  0.78323678
   0.06972455  0.22091100  0.57274054
   0.33411816  0.45959050  0.84116440
   0.48729016  0.46141157  0.67676628
   0.23017468  0.34249379  0.69260247
   0.28298656  0.15604926 -0.08919193
   0.05073655  0.12034339  0.95363804
   0.15413616  0.58870790  0.07793979
   0.39280074  0.70089838  0.27677158
   0.15994538  0.85244750  0.05189160
   0.36374100  0.93699553  0.36015994
   0.43551542  0.91538774  0.18355027
   0.17687694  0.88567263  0.23501967
   0.32719617  0.62684311  0.44727774
   0.07164037  0.55371696  0.38294183
   0.26434003  0.41478808  0.50563776
   0.31389722  0.69276123  0.75200140
   0.13688896  0.73024572  0.53071324
   0.39058055  0.99574975  0.77634817
   0.53882083  0.86991862  0.64472055
   0.25703088  0.91823734  0.61888382
   0.29286383  0.68577496 -0.05775535
   0.01878847  0.70064171  0.94839264
   0.62213705  0.04470072  0.09353202
   0.84594998  0.20773757  0.22594550
   0.63473447  0.27895265  0.01645878
   0.83819900  0.45040930  0.32487079
   0.04749505  0.38434109  0.17097980
   0.79107578  0.42660483  0.11663752
   0.69360958  0.19104901  0.38305708
   0.45699053  0.17064596  0.45939374
   0.66588020  0.05913062  0.55336411
   0.90170474  0.28224564  0.83316448
   0.61676840  0.31754701  0.55006105
   0.87482758  0.53840100  0.82894061
   1.06017497  0.49983880  0.56944887
   0.74229148  0.38296292  0.70053436
   0.79255904  0.08636528  0.92531579
   0.51864616  0.07744121  0.93792975
   0.55455879  0.54448340  0.03809474
   0.89465942  0.70970522  0.28547063
   0.55023094  0.81353384  0.02930353
   0.84532267  0.98330583  0.30730479
   0.93898983  0.89464855  0.15214619
   0.68532185  0.82528693  0.20075007
   0.83782599  0.64608579  0.44851636
   0.57924544  0.59280802  0.41348249
   0.65019769  0.59801728  0.58754495
   0.85521322  0.80035483  0.82093187
   0.62860922  0.83533198  0.47456137
   0.99112279  1.01756429  0.79761933
   1.00609540  0.82475587  0.67308142
   0.77375640  0.98614189  0.70378104
   0.75408105  0.67902392  0.97064457
   0.51583183  0.64996892  0.87267994
   0.79703840  0.82596776  0.59489319
   0.66078756  0.85870105  0.40220900
   0.91276036  0.22064675  0.06690025
   0.68466486  1.07461009  0.14061901
   0.41719542  0.07790459  0.60036114
   0.35069218  1.03873116  1.04591334
   0.38016450  0.86284278 -0.57101175
   0.36863385  1.10222070  0.07241443
   0.68317037  0.36758409  0.89298873
   0.56606421  0.64402553  0.60354524
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.936603    0.219834   -0.111643
    -0.000000   10.017040    0.226766
    -0.000000    0.000000   14.245256
   Si   O    H 
    32    64    10
Direct configuration=  3167
   0.18286011  0.15922967  0.01652910
   0.35450226  0.12958953  0.38223674
   0.17294782  0.43319936  0.10878170
   0.42156737  0.34415858  0.23859425
   0.07230677  0.12738820  0.48022931
   0.40859829  0.12032010  0.84791643
   0.15177907  0.36650127  0.58208078
   0.37289800  0.38680807  0.74402931
   0.16003092  0.70165519  0.00246690
   0.43074692  0.59175050  0.36228012
   0.09024177  0.93319584  0.13756060
   0.32585717  0.85753168  0.26348351
   0.17363574  0.57775178  0.48468770
   0.35766493  0.62328433  0.84557472
   0.11228716  0.85735498  0.58736125
   0.40529706  0.96675985  0.65953317
   0.65446896  0.12846946  0.98109213
   0.83043069  0.14103798  0.33262974
   0.63280413  0.40245101  0.08513331
   0.90096184  0.31791683  0.15028329
   0.62091775  0.18130176  0.48033566
   0.93601093  0.12908834  0.87354986
   0.63318636  0.42719385  0.62478598
   0.78234722  0.40451934  0.81517277
   0.58902684  0.66583649 -0.02787912
   0.91077651  0.58508718  0.35294590
   0.57148715  0.89080210  0.12767049
   0.84212340  0.85486225  0.24346350
   0.68487385  0.67120722  0.47154356
   0.88038353  0.67233735  0.88983323
   0.68768194  0.92350059  0.61419418
   0.91004006  0.90495048  0.74431397
   0.13569482  0.09115987  0.11881103
   0.38842290  0.18954598  0.27630255
   0.18529293  0.31946681  0.02712947
   0.43457567  0.43492449  0.33178144
   0.55809937  0.35638201  0.17649076
   0.29812145  0.40560705  0.17672184
   0.20230093  0.14494096  0.41487677
  -0.05101692  0.15638687  0.41144473
   0.05575150 -0.02124647  0.52077263
   0.44857120  0.24690607  0.78519796
   0.06871776  0.22143807  0.57259993
   0.33128718  0.46025661  0.84002984
   0.48708658  0.46123969  0.67596293
   0.22890119  0.34303713  0.69161476
   0.28349228  0.15601639 -0.08697066
   0.04959697  0.11943105  0.95479219
   0.15530797  0.58763526  0.07725293
   0.39295400  0.70124135  0.27697947
   0.16076570  0.84998193  0.05288061
   0.36315539  0.93683779  0.36178032
   0.43544963  0.91637715  0.18366567
   0.17921898  0.88622298  0.23479879
   0.32791449  0.62518842  0.44523360
   0.07032155  0.55466064  0.38280090
   0.26382793  0.41486232  0.50664638
   0.31538852  0.69226518  0.75121649
   0.13607687  0.73157933  0.52858746
   0.39022248  0.99480612  0.77658986
   0.53845059  0.87032170  0.64365415
   0.25788508  0.91621216  0.61926003
   0.29386044  0.68606932 -0.05814070
   0.02044215  0.70110175  0.94876680
   0.62278266  0.04692186  0.09311845
   0.84604416  0.20624932  0.22548281
   0.63465938  0.27734505  0.01639270
   0.83945071  0.44946726  0.32453791
   0.04767710  0.38464278  0.17137255
   0.79042630  0.42838533  0.11687378
   0.69514943  0.19167651  0.38152435
   0.45753846  0.17315300  0.45809308
   0.66420156  0.05850008  0.55183560
   0.90035706  0.28138768  0.83263194
   0.61730733  0.31935256  0.55030837
   0.87573554  0.53882908  0.82947731
   1.06126584  0.50043328  0.57028839
   0.74207397  0.38121571  0.70038714
   0.79263274  0.08548171  0.92646624
   0.51890919  0.07655029  0.93882867
   0.55561441  0.54400521  0.03758531
   0.89639541  0.71019089  0.28519128
   0.54995580  0.81495674  0.03038238
   0.84542525  0.98281936  0.30946950
   0.93820159  0.89537183  0.15242768
   0.68490094  0.82562245  0.19944523
   0.83646553  0.64504769  0.44844231
   0.57991678  0.59263006  0.41211031
   0.64896684  0.59778419  0.58592995
   0.85569034  0.79905699  0.81988510
   0.62882231  0.83370424  0.47315424
   0.99068536  1.01904588  0.79776859
   1.00445275  0.82465061  0.67257928
   0.77486453  0.98536429  0.70462648
   0.75496755  0.68060795  0.97074114
   0.51449060  0.64971353  0.87265737
   0.79420703  0.82751291  0.59439330
   0.65841149  0.86165963  0.40597133
   0.91955477  0.21905334  0.06515382
   0.67830666  1.08113668  0.13556041
   0.41340318  0.07648166  0.60274321
   0.35717471  1.03715434  1.04628618
   0.37792656  0.86888982 -0.57963544
   0.37128076  1.10005678  0.06639012
   0.68338815  0.36955630  0.89021585
   0.57056921  0.64777072  0.60139990
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939198    0.219907   -0.111707
    -0.000000   10.014175    0.230570
    -0.000000    0.000000   14.244250
   Si   O    H 
    32    64    10
Direct configuration=  3168
   0.18270549  0.15895723  0.01518273
   0.35504013  0.12832197  0.38126144
   0.17338395  0.43355046  0.10788553
   0.42047127  0.34422002  0.23870929
   0.07328024  0.12845807  0.48010510
   0.40823559  0.11972686  0.84823127
   0.15155938  0.36686214  0.58147992
   0.37164549  0.38692617  0.74403314
   0.15897242  0.70110153  0.00171686
   0.43087693  0.59301499  0.36292562
   0.09223950  0.93391613  0.13773773
   0.32529047  0.85746633  0.26321164
   0.17408736  0.57659539  0.48382202
   0.35772708  0.62352838  0.84575831
   0.11315564  0.85724029  0.58752005
   0.40530594  0.96503773  0.66029933
   0.65502911  0.12742154  0.98144982
   0.83126685  0.14027556  0.33306569
   0.63354052  0.40314933  0.08478633
   0.89954892  0.31972013  0.15021431
   0.62187923  0.18086804  0.47957293
   0.93551871  0.12858866  0.87352141
   0.63430296  0.42626178  0.62541593
   0.78319276  0.40332955  0.81557945
   0.59048751  0.66601156 -0.02805431
   0.91108441  0.58419923  0.35342013
   0.57196709  0.89167881  0.12816045
   0.84251845  0.85488705  0.24331805
   0.68493198  0.67194822  0.47144516
   0.87971264  0.67305400  0.89026893
   0.68767046  0.92473036  0.61493536
   0.90888326  0.90447273  0.74479289
   0.13491494  0.09096338  0.11844648
   0.38655540  0.18742535  0.27637582
   0.18747912  0.31942476  0.02732611
   0.43586768  0.43503693  0.33292522
   0.55784487  0.35582671  0.17617376
   0.29845833  0.40504681  0.17766376
   0.20295733  0.14341680  0.41434290
  -0.05142638  0.15704537  0.41268813
   0.05468705 -0.02080283  0.51922472
   0.44744842  0.24620132  0.78707067
   0.06811749  0.22180886  0.57270642
   0.32968220  0.46064380  0.83865470
   0.48732109  0.45982015  0.67558456
   0.22865525  0.34481716  0.69098812
   0.28339380  0.15598233 -0.08487834
   0.04886408  0.11769409  0.95636697
   0.15597290  0.58581466  0.07702099
   0.39210520  0.70183649  0.27727719
   0.16176376  0.84736064  0.05377234
   0.36230349  0.93611494  0.36345427
   0.43559586  0.91740050  0.18416477
   0.18103195  0.88623482  0.23487142
   0.32829128  0.62472638  0.44326755
   0.06943146  0.55587715  0.38321065
   0.26378391  0.41532654  0.50738224
   0.31703769  0.69174153  0.75109205
   0.13594536  0.73220474  0.52614991
   0.38968568  0.99383756  0.77699545
   0.53818602  0.87070944  0.64304951
   0.25886642  0.91472831  0.61979931
   0.29480639  0.68681347 -0.05740439
   0.02060232  0.70132596  0.94854945
   0.62317272  0.04839675  0.09220330
   0.84675576  0.20479854  0.22571860
   0.63499433  0.27554192  0.01624900
   0.84079175  0.44858827  0.32453302
   0.04717806  0.38540352  0.17139688
   0.78890364  0.43027276  0.11674469
   0.69627333  0.19280584  0.38020141
   0.45863633  0.17564796  0.45679631
   0.66222890  0.05864993  0.55010141
   0.89912908  0.28076952  0.83238932
   0.61823322  0.32011443  0.54953369
   0.87595887  0.53836745  0.82998168
   1.06192084  0.50092686  0.57104840
   0.74149858  0.38040149  0.70032708
   0.79274452  0.08492024  0.92713231
   0.51937861  0.07625046  0.93900720
   0.55733458  0.54222922  0.03760516
   0.89782235  0.71134161  0.28443122
   0.54986997  0.81525921  0.03152274
   0.84531943  0.98271680  0.31135244
   0.93754653  0.89642297  0.15265908
   0.68486786  0.82565644  0.19850988
   0.83496638  0.64421951  0.44851747
   0.58013982  0.59247164  0.41080930
   0.64840789  0.59753866  0.58379547
   0.85616250  0.79722935  0.81928674
   0.62916400  0.83146368  0.47140986
   0.98991486  1.02070970  0.79796529
   1.00309489  0.82426432  0.67199380
   0.77652197  0.98453593  0.70547171
   0.75559892  0.68216635  0.97052722
   0.51401012  0.64973067  0.87307082
   0.79093795  0.82595760  0.58968380
   0.65509030  0.86323475  0.41351396
   0.92796306  0.22158358  0.06581032
   0.68344511  1.09973182  0.14372625
   0.41414714  0.08235480  0.59971325
   0.36034894  1.02893663  1.04559569
   0.37540957  0.87942185 -0.59268172
   0.37152603  1.10281203  0.06239091
   0.68398135  0.37558169  0.88597511
   0.56814601  0.65204755  0.60528924
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941314    0.220240   -0.111683
    -0.000000   10.011308    0.233865
    -0.000000    0.000000   14.243291
   Si   O    H 
    32    64    10
Direct configuration=  3169
   0.18241346  0.15820943  0.01372930
   0.35503443  0.12718676  0.38007163
   0.17383025  0.43355708  0.10737232
   0.41974030  0.34454026  0.23895354
   0.07409294  0.12903810  0.47993397
   0.40784118  0.11868688  0.84841775
   0.15140504  0.36659574  0.58092880
   0.37047666  0.38615515  0.74312834
   0.15807354  0.70070013  0.00061933
   0.43102845  0.59426392  0.36354576
   0.09466344  0.93449631  0.13807859
   0.32553287  0.85719959  0.26284131
   0.17462023  0.57601985  0.48347456
   0.35731837  0.62371555  0.84605448
   0.11398670  0.85655907  0.58794533
   0.40474243  0.96314410  0.66107342
   0.65511006  0.12621001  0.98170881
   0.83187588  0.13980673  0.33350804
   0.63451781  0.40383065  0.08440088
   0.89834873  0.32104903  0.14989367
   0.62256848  0.18153864  0.47927875
   0.93462724  0.12858310  0.87339914
   0.63499116  0.42493680  0.62564313
   0.78469769  0.40189704  0.81572405
   0.59225653  0.66681918 -0.02801493
   0.91119277  0.58310564  0.35359954
   0.57242362  0.89133644  0.12864198
   0.84265281  0.85471177  0.24268235
   0.68513897  0.67238704  0.47168821
   0.87919910  0.67374257  0.89057002
   0.68740166  0.92599994  0.61567350
   0.90673173  0.90465684  0.74510001
   0.13425190  0.08994368  0.11792496
   0.38545918  0.18652154  0.27637618
   0.18975466  0.31938644  0.02739701
   0.43688750  0.43512372  0.33382343
   0.55692510  0.35563214  0.17629075
   0.29837523  0.40370054  0.17798668
   0.20385194  0.14164412  0.41394658
  -0.05260286  0.15783635  0.41347672
   0.05349859 -0.02113161  0.51794719
   0.44672434  0.24549890  0.78836406
   0.06780302  0.22238154  0.57291465
   0.32818824  0.46181045  0.83757471
   0.48755976  0.45898137  0.67566388
   0.22860156  0.34599999  0.69025734
   0.28362326  0.15695861 -0.08285311
   0.04823668  0.11607206  0.95770740
   0.15660401  0.58352330  0.07690154
   0.39171398  0.70235006  0.27779486
   0.16368396  0.84559516  0.05472986
   0.36126881  0.93768709  0.36349277
   0.43568158  0.91916917  0.18513730
   0.18124400  0.88653426  0.23532486
   0.32812134  0.62383796  0.44177961
   0.06832556  0.55713386  0.38390718
   0.26474426  0.41573545  0.50792421
   0.31825310  0.69094775  0.75035933
   0.13645433  0.73201195  0.52388785
   0.39026659  0.99353083  0.77766107
   0.53800314  0.87103609  0.64305252
   0.26029660  0.91303593  0.61987685
   0.29516255  0.68797790 -0.05696303
   0.02002321  0.70021417  0.94730667
   0.62398969  0.05024859  0.09197872
   0.84747754  0.20310504  0.22560941
   0.63571220  0.27402405  0.01615801
   0.84136566  0.44704557  0.32401142
   0.04661498  0.38732884  0.17159876
   0.78645067  0.43239068  0.11597668
   0.69715976  0.19459049  0.37920602
   0.46048770  0.17793068  0.45598808
   0.66139678  0.05870802  0.54824656
   0.89785258  0.28044698  0.83186210
   0.61920106  0.32062465  0.54816043
   0.87696660  0.53833577  0.83055524
   1.06267472  0.50173196  0.57191913
   0.74167499  0.37982467  0.70074056
   0.79262106  0.08490550  0.92811201
   0.51978205  0.07640460  0.93895667
   0.55925765  0.53984763  0.03834716
   0.89918896  0.71281769  0.28388955
   0.54931297  0.81507314  0.03240806
   0.84435914  0.98120200  0.31334234
   0.93597507  0.89814187  0.15292979
   0.68572206  0.82557473  0.19799215
   0.83320980  0.64356057  0.44877393
   0.58057726  0.59295686  0.40969255
   0.64772147  0.59671274  0.58211383
   0.85754280  0.79533668  0.81854965
   0.63018016  0.82950109  0.47056447
   0.98989573  1.02192284  0.79790251
   1.00253296  0.82421479  0.67111555
   0.77807151  0.98422296  0.70625574
   0.75569908  0.68403203  0.97015386
   0.51480170  0.64987339  0.87291437
   0.78856084  0.82441038  0.58632226
   0.65479420  0.86920566  0.41336834
   0.93298677  0.22796710  0.07000453
   0.68431606  1.11346321  0.14355961
   0.41542937  0.08974996  0.59746879
   0.36295213  1.01870857  1.04562541
   0.38215479  0.85999745 -0.57689592
   0.37279846  1.10405838  0.05839642
   0.68043256  0.37976391  0.88325047
   0.57261735  0.65760580  0.60740192
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.943878    0.220650   -0.111833
    -0.000000   10.008467    0.237110
    -0.000000    0.000000   14.242467
   Si   O    H 
    32    64    10
Direct configuration=  3170
   0.18212897  0.15784070  0.01304143
   0.35492955  0.12584174  0.37915063
   0.17368243  0.43309987  0.10693306
   0.41895504  0.34477890  0.23937054
   0.07476618  0.12944311  0.48014436
   0.40714401  0.11704369  0.84871002
   0.15143095  0.36645590  0.58085728
   0.36970592  0.38526592  0.74212492
   0.15770638  0.70050022 -0.00031634
   0.43117595  0.59450372  0.36438105
   0.09702112  0.93498697  0.13779603
   0.32642041  0.85675671  0.26226485
   0.17527752  0.57514464  0.48324991
   0.35649588  0.62441342  0.84675881
   0.11499826  0.85659492  0.58843549
   0.40377899  0.96198152  0.66184384
   0.65497683  0.12491212  0.98217697
   0.83269643  0.13916069  0.33353665
   0.63563427  0.40486402  0.08394641
   0.89799320  0.32205315  0.14947825
   0.62293154  0.18266588  0.47929913
   0.93380320  0.12889564  0.87343854
   0.63491109  0.42400854  0.62627146
   0.78627797  0.40054179  0.81552850
   0.59400977  0.66778406 -0.02763944
   0.91118620  0.58195280  0.35372489
   0.57292225  0.89151974  0.12940436
   0.84254222  0.85476472  0.24197523
   0.68453536  0.67323809  0.47191006
   0.87844736  0.67454574  0.89108864
   0.68719144  0.92759697  0.61634737
   0.90489678  0.90466258  0.74547660
   0.13398487  0.08866481  0.11690648
   0.38484411  0.18561417  0.27594560
   0.19151749  0.31961311  0.02786158
   0.43711122  0.43451607  0.33472212
   0.55575776  0.35468108  0.17656704
   0.29823999  0.40250013  0.17863104
   0.20434940  0.13911339  0.41364667
  -0.05336917  0.15902718  0.41373893
   0.05252279 -0.02203411  0.51705943
   0.44614579  0.24554395  0.78955784
   0.06732577  0.22305958  0.57253963
   0.32718734  0.46255005  0.83672389
   0.48724247  0.45814118  0.67561073
   0.22871546  0.34735701  0.68909132
   0.28398793  0.15789184 -0.08138768
   0.04739460  0.11354478  0.95870406
   0.15632962  0.58208190  0.07714187
   0.39113179  0.70259778  0.27820121
   0.16550195  0.84414981  0.05634791
   0.35985889  0.93896124  0.36381042
   0.43467330  0.92095795  0.18613381
   0.18017002  0.88765837  0.23555170
   0.32739952  0.62307206  0.44043556
   0.06925225  0.55820102  0.38496197
   0.26578932  0.41614316  0.50797883
   0.31933759  0.69127343  0.74927955
   0.13720884  0.73100546  0.52188121
   0.39040059  0.99293490  0.77818843
   0.53837566  0.87088053  0.64313882
   0.26139119  0.91178965  0.61996446
   0.29563546  0.68854799 -0.05704909
   0.01838458  0.69950633  0.94529859
   0.62491459  0.05172692  0.09312339
   0.84908806  0.20167298  0.22559871
   0.63605102  0.27253248  0.01616412
   0.84203412  0.44545006  0.32330386
   0.04548047  0.38994864  0.17135443
   0.78374030  0.43340947  0.11510829
   0.69794839  0.19579235  0.37825489
   0.46306754  0.18015830  0.45478975
   0.66019472  0.05876320  0.54663579
   0.89698186  0.27999682  0.83151413
   0.62009992  0.32076637  0.54599712
   0.87787202  0.53769129  0.83134544
   1.06311778  0.50264768  0.57258915
   0.74260165  0.37967814  0.70165920
   0.79307186  0.08407937  0.92903155
   0.52052391  0.07563714  0.93845949
   0.56118078  0.53749081  0.03872480
   0.89949932  0.71358407  0.28325894
   0.54937234  0.81370293  0.03304688
   0.84280586  0.97964502  0.31489732
   0.93462570  0.90034854  0.15314858
   0.68743319  0.82598737  0.19771409
   0.83251746  0.64298895  0.44972292
   0.57992306  0.59357618  0.40889514
   0.64694906  0.59603186  0.58058858
   0.85828185  0.79378957  0.81723732
   0.63112242  0.82671009  0.47068210
   0.98957466  1.02331835  0.79816868
   1.00192415  0.82437452  0.67003877
   0.77957175  0.98413583  0.70680120
   0.75566816  0.68592221  0.96960569
   0.51496763  0.64985234  0.87297685
   0.78563647  0.82707115  0.58491649
   0.65819075  0.87925028  0.40827539
   0.93731036  0.24038876  0.07570489
   0.67979092  1.11977537  0.14079681
   0.41575202  0.09285750  0.59945386
   0.36746628  1.01622798  1.04877356
   0.38619279  0.85172589 -0.56977818
   0.37130383  1.09989614  0.05338094
   0.67627099  0.38317017  0.88212926
   0.58449016  0.65860978  0.60747864
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.946165    0.220214   -0.112087
    -0.000000   10.005113    0.240340
    -0.000000    0.000000   14.241764
   Si   O    H 
    32    64    10
Direct configuration=  3171
   0.18217286  0.15763377  0.01259779
   0.35444834  0.12435699  0.37797319
   0.17365047  0.43228829  0.10668064
   0.41880139  0.34459731  0.24001779
   0.07524562  0.12973327  0.48058170
   0.40609756  0.11548919  0.84885998
   0.15157573  0.36633120  0.58098065
   0.36948538  0.38402272  0.74112437
   0.15779741  0.70089055 -0.00100486
   0.43122925  0.59386723  0.36509786
   0.09877819  0.93547944  0.13741246
   0.32766888  0.85568761  0.26167572
   0.17661472  0.57430913  0.48306601
   0.35547910  0.62499255  0.84716328
   0.11601399  0.85684584  0.58892830
   0.40300301  0.96123319  0.66263942
   0.65535480  0.12365531  0.98259493
   0.83409426  0.13853765  0.33340329
   0.63657564  0.40606925  0.08370272
   0.89756271  0.32347997  0.14957594
   0.62269655  0.18399498  0.47924970
   0.93253009  0.12847188  0.87375427
   0.63436065  0.42337532  0.62683993
   0.78754703  0.39956846  0.81553045
   0.59523653  0.66975139 -0.02694334
   0.91139071  0.58074254  0.35381343
   0.57325005  0.89195244  0.13005665
   0.84276364  0.85456018  0.24112472
   0.68376280  0.67405502  0.47207188
   0.87824776  0.67569623  0.89170337
   0.68711074  0.92885841  0.61701711
   0.90365614  0.90467628  0.74612559
   0.13350375  0.08721416  0.11594768
   0.38441507  0.18453482  0.27511423
   0.19322341  0.32001127  0.02844652
   0.43678690  0.43414016  0.33614288
   0.55488245  0.35328214  0.17715008
   0.29753017  0.40138556  0.17894302
   0.20456177  0.13692758  0.41339928
  -0.05432306  0.16050880  0.41352045
   0.05099895 -0.02274823  0.51608536
   0.44573657  0.24523897  0.79055148
   0.06772681  0.22385469  0.57195025
   0.32682430  0.46316548  0.83536277
   0.48698421  0.45709517  0.67576921
   0.22852436  0.34897631  0.68795741
   0.28441034  0.15812122 -0.08061836
   0.04667350  0.11151245  0.95931986
   0.15670420  0.57971338  0.07780676
   0.39020341  0.70295985  0.27871321
   0.16737450  0.84345908  0.05764932
   0.35905741  0.93972555  0.36439081
   0.43431989  0.92256757  0.18708737
   0.17826222  0.88852247  0.23577581
   0.32504579  0.62278417  0.43974703
   0.07045045  0.55950943  0.38601409
   0.26653921  0.41661290  0.50818613
   0.32106297  0.69080107  0.74806924
   0.13751731  0.72981895  0.51991047
   0.38986199  0.99171043  0.77828040
   0.53908021  0.87023405  0.64324907
   0.26223906  0.91106648  0.62048273
   0.29594900  0.68870083 -0.05744391
   0.01696102  0.69903181  0.94375263
   0.62557892  0.05276011  0.09431575
   0.85004111  0.20118560  0.22556223
   0.63598461  0.27236434  0.01562251
   0.84326611  0.44417388  0.32247946
   0.04368318  0.39227350  0.17110486
   0.78239149  0.43395974  0.11475892
   0.69821681  0.19668278  0.37784416
   0.46525204  0.18143692  0.45344392
   0.65903432  0.05905931  0.54553448
   0.89655989  0.27944823  0.83117531
   0.62143131  0.32040906  0.54330594
   0.87861053  0.53589103  0.83248702
   1.06359231  0.50353928  0.57281072
   0.74341424  0.38019957  0.70279074
   0.79331899  0.08318480  0.92973973
   0.52042966  0.07523386  0.93709769
   0.56314370  0.53486077  0.03925950
   0.89871960  0.71443874  0.28173541
   0.54993092  0.81247681  0.03341148
   0.84129530  0.97740030  0.31597580
   0.93289191  0.90273545  0.15299900
   0.69025933  0.82754628  0.19714005
   0.83303097  0.64260363  0.45035107
   0.57953653  0.59455167  0.40830799
   0.64653754  0.59526291  0.57930271
   0.85816057  0.79268630  0.81554692
   0.63218687  0.82516558  0.46999825
   0.98985501  1.02482212  0.79827606
   1.00225433  0.82403520  0.66903656
   0.78080162  0.98466394  0.70715129
   0.75615701  0.68699356  0.96921279
   0.51566392  0.64967287  0.87308855
   0.78672705  0.82502953  0.58472989
   0.65769919  0.88342235  0.40917861
   0.93851075  0.24828768  0.07671659
   0.67143508  1.11749301  0.13308758
   0.41293243  0.09407398  0.60506283
   0.37028713  1.01602021  1.05178152
   0.38691345  0.85451256 -0.56854690
   0.36788968  1.08694510  0.05316077
   0.67369184  0.38588758  0.87944658
   0.59042308  0.66007316  0.60925125
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.948466    0.219846   -0.112488
    -0.000000   10.001777    0.243536
    -0.000000    0.000000   14.240561
   Si   O    H 
    32    64    10
Direct configuration=  3172
   0.18235546  0.15817964  0.01192325
   0.35396261  0.12229658  0.37728911
   0.17406881  0.43032179  0.10693464
   0.41888377  0.34375229  0.24075171
   0.07519204  0.12989270  0.48081800
   0.40558592  0.11458898  0.84937890
   0.15134167  0.36637012  0.58116023
   0.36913927  0.38325059  0.74019437
   0.15800564  0.70151104 -0.00102695
   0.43165929  0.59283860  0.36547992
   0.09946967  0.93639817  0.13733330
   0.32934191  0.85523763  0.26094895
   0.17711663  0.57345568  0.48262434
   0.35464495  0.62561703  0.84767212
   0.11691861  0.85706260  0.58928693
   0.40234482  0.96111320  0.66323777
   0.65585369  0.12204586  0.98293822
   0.83571618  0.13788558  0.33325954
   0.63619733  0.40742466  0.08347257
   0.89788366  0.32472387  0.14983820
   0.62242394  0.18513129  0.47949689
   0.93100767  0.12819788  0.87469281
   0.63347668  0.42254165  0.62756234
   0.78854789  0.39849061  0.81575417
   0.59628914  0.67151450 -0.02594754
   0.91220148  0.57881801  0.35408279
   0.57300413  0.89235921  0.13088724
   0.84287121  0.85466809  0.24036286
   0.68257737  0.67456267  0.47203229
   0.87836393  0.67603600  0.89215746
   0.68697232  0.93020800  0.61727616
   0.90314655  0.90488357  0.74682869
   0.13338039  0.08609606  0.11498175
   0.38437012  0.18430253  0.27402849
   0.19533405  0.32092832  0.02886340
   0.43684576  0.43406818  0.33713841
   0.55359414  0.35121818  0.17739501
   0.29749480  0.40047719  0.17963029
   0.20535546  0.13523790  0.41289596
  -0.05495369  0.16149449  0.41338921
   0.04950178 -0.02338911  0.51504703
   0.44580705  0.24500526  0.79089395
   0.06883146  0.22373054  0.57162059
   0.32715367  0.46388027  0.83447629
   0.48571079  0.45589131  0.67609450
   0.22808859  0.34981116  0.68685297
   0.28504297  0.15820280 -0.07982079
   0.04540108  0.10870887  0.95965125
   0.15723788  0.57808368  0.07812003
   0.38980707  0.70382638  0.27925026
   0.16893350  0.84314961  0.05887074
   0.35846270  0.94046573  0.36527341
   0.43318721  0.92419120  0.18785921
   0.17586573  0.88964311  0.23596433
   0.32269532  0.62278252  0.43978801
   0.07236238  0.56127628  0.38703521
   0.26672063  0.41665118  0.50813289
   0.32310028  0.69059431  0.74709166
   0.13764531  0.72840899  0.51763289
   0.38944257  0.99034334  0.77825847
   0.54039268  0.86965162  0.64322603
   0.26294589  0.91079323  0.62056553
   0.29607849  0.68913413 -0.05727021
   0.01661054  0.69838636  0.94230427
   0.62702179  0.05362782  0.09486594
   0.85176901  0.20145227  0.22586893
   0.63622509  0.27270973  0.01509378
   0.84389295  0.44340490  0.32179335
   0.04160299  0.39517757  0.17066034
   0.78097224  0.43441268  0.11434032
   0.69870159  0.19768735  0.37803732
   0.46646769  0.18286402  0.45227388
   0.65843782  0.05921015  0.54490280
   0.89582841  0.27815963  0.83159971
   0.62419169  0.32029655  0.54091646
   0.87878176  0.53482272  0.83362286
   1.06390270  0.50414417  0.57321967
   0.74473216  0.38025241  0.70363318
   0.79337188  0.08147758  0.93013401
   0.52046668  0.07505241  0.93523756
   0.56544902  0.53284174  0.03933270
   0.89784660  0.71511912  0.28083089
   0.55114713  0.81162113  0.03323596
   0.83999139  0.97585132  0.31733041
   0.93264337  0.90430300  0.15254544
   0.69293743  0.82981482  0.19678568
   0.83315271  0.64221483  0.45105142
   0.57918465  0.59514598  0.40832334
   0.64659971  0.59405916  0.57798583
   0.85797029  0.79188424  0.81374362
   0.63367491  0.82485548  0.46917440
   0.99008403  1.02566622  0.79873753
   1.00225051  0.82397938  0.66786355
   0.78067979  0.98488468  0.70741345
   0.75735208  0.68851204  0.96857762
   0.51658382  0.65011585  0.87337468
   0.78472241  0.82804027  0.58604438
   0.65551057  0.88058842  0.41575568
   0.93774940  0.24738373  0.06979687
   0.66769326  1.11245360  0.12740193
   0.41105919  0.09154384  0.61511001
   0.37189527  1.00806210  1.05430080
   0.38541118  0.86891413 -0.57302751
   0.36328498  1.08446178  0.05515337
   0.67068257  0.38738081  0.87582624
   0.59241036  0.65957897  0.61417539
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.950312    0.219218   -0.112519
    -0.000000    9.998311    0.246244
    -0.000000    0.000000   14.239630
   Si   O    H 
    32    64    10
Direct configuration=  3173
   0.18201412  0.15849026  0.01068286
   0.35392462  0.12019706  0.37701741
   0.17361774  0.42798978  0.10720357
   0.41863755  0.34267762  0.24153728
   0.07428564  0.12992507  0.48066934
   0.40538006  0.11325911  0.84965033
   0.15142206  0.36649329  0.58150685
   0.36852344  0.38253587  0.73996693
   0.15786297  0.70157163 -0.00112751
   0.43209790  0.59180539  0.36580962
   0.10030051  0.93673316  0.13774939
   0.33033773  0.85525664  0.26030317
   0.17746359  0.57284637  0.48196433
   0.35387852  0.62632129  0.84798511
   0.11732422  0.85707733  0.58943204
   0.40168991  0.96160448  0.66376604
   0.65587091  0.12077616  0.98313139
   0.83709453  0.13753572  0.33361023
   0.63618557  0.40821630  0.08342053
   0.89786185  0.32598396  0.15049164
   0.62223601  0.18627166  0.47982149
   0.92995838  0.12804041  0.87612783
   0.63228854  0.42187449  0.62832973
   0.78984886  0.39710095  0.81589428
   0.59724435  0.67260868 -0.02567498
   0.91263099  0.57776562  0.35445311
   0.57288040  0.89258820  0.13181429
   0.84215611  0.85550270  0.23945341
   0.68111849  0.67427345  0.47179986
   0.87831756  0.67687864  0.89207181
   0.68718879  0.93178759  0.61753973
   0.90232726  0.90557387  0.74726587
   0.13385789  0.08504776  0.11458001
   0.38412070  0.18440604  0.27337444
   0.19752062  0.32152063  0.02919177
   0.43704572  0.43388044  0.33791205
   0.55185830  0.34906401  0.17749014
   0.29777506  0.39916520  0.17987308
   0.20479611  0.13333054  0.41267422
  -0.05569656  0.16218258  0.41311806
   0.04893723 -0.02399813  0.51441275
   0.44639015  0.24546957  0.79058056
   0.07062519  0.22444484  0.57086515
   0.32787475  0.46435525  0.83411174
   0.48467799  0.45489945  0.67647716
   0.22825567  0.35010991  0.68557852
   0.28484008  0.15741799 -0.07895309
   0.04350988  0.10632312  0.95955049
   0.15750454  0.57775688  0.07847894
   0.39013996  0.70487325  0.27957321
   0.17033989  0.84287081  0.05984990
   0.35831474  0.94086917  0.36656272
   0.43178641  0.92556121  0.18845598
   0.17457831  0.89077355  0.23636418
   0.32026065  0.62294579  0.44019339
   0.07442065  0.56277688  0.38800886
   0.26614735  0.41650241  0.50790732
   0.32474483  0.69082383  0.74655806
   0.13801090  0.72734279  0.51595447
   0.38962619  0.98924146  0.77781316
   0.54193197  0.86909047  0.64327303
   0.26389182  0.90979062  0.62049738
   0.29561451  0.68980078 -0.05692839
   0.01638409  0.69813437  0.94130495
   0.62745422  0.05276308  0.09465297
   0.85243237  0.20222053  0.22597391
   0.63691270  0.27396674  0.01486385
   0.84417307  0.44314689  0.32142485
   0.03885560  0.39762726  0.17000333
   0.78094231  0.43460461  0.11390816
   0.69921264  0.19918710  0.37799047
   0.46659326  0.18387970  0.45113344
   0.65856803  0.05919006  0.54389743
   0.89550488  0.27651724  0.83221848
   0.62689719  0.32078935  0.53867520
   0.87828305  0.53452960  0.83508124
   1.06362055  0.50450418  0.57287274
   0.74661277  0.38052508  0.70442251
   0.79283780  0.08051045  0.93038186
   0.52061074  0.07442040  0.93351150
   0.56733225  0.53192682  0.03921657
   0.89744711  0.71533129  0.28042861
   0.55259910  0.81086072  0.03313272
   0.83900221  0.97415584  0.31882408
   0.93269246  0.90554319  0.15182693
   0.69563972  0.83143982  0.19628244
   0.83323308  0.64157000  0.45146210
   0.57881349  0.59567911  0.40835555
   0.64732308  0.59264634  0.57758732
   0.85794150  0.78958982  0.81242669
   0.63506685  0.82511126  0.46863708
   0.98857369  1.02578455  0.79901261
   1.00212667  0.82416096  0.66721592
   0.78051723  0.98571697  0.70685877
   0.75858119  0.68900362  0.96795621
   0.51822474  0.65036365  0.87421143
   0.78389769  0.83052907  0.58875761
   0.65617058  0.88062387  0.42060443
   0.93292463  0.24607933  0.06156521
   0.68426825  1.13202201  0.14117548
   0.40859682  0.08916569  0.62280980
   0.37461057  0.99672228  1.05719155
   0.38226732  0.89298601 -0.58480836
   0.35789842  1.08398197  0.05752825
   0.66647440  0.38929085  0.87233671
   0.59696626  0.65648917  0.61743685
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.952218    0.218455   -0.112814
    -0.000000    9.994855    0.248287
    -0.000000    0.000000   14.238342
   Si   O    H 
    32    64    10
Direct configuration=  3174
   0.18192031  0.15872340  0.00903109
   0.35429395  0.11835803  0.37643770
   0.17335820  0.42558066  0.10737437
   0.41856341  0.34144035  0.24240297
   0.07379971  0.13022079  0.48061158
   0.40540329  0.11246978  0.85042077
   0.15229317  0.36757915  0.58225906
   0.36712687  0.38186064  0.73985067
   0.15779170  0.70132044 -0.00068944
   0.43167198  0.59109181  0.36637770
   0.10070030  0.93695576  0.13828112
   0.33148942  0.85452346  0.25986347
   0.17767089  0.57238757  0.48110632
   0.35315052  0.62694839  0.84771355
   0.11711768  0.85670252  0.58867932
   0.40108453  0.96150298  0.66416786
   0.65591877  0.12019519  0.98320844
   0.83885879  0.13698935  0.33342155
   0.63553608  0.40933230  0.08390562
   0.89781249  0.32672219  0.15071799
   0.62203374  0.18694763  0.48074046
   0.92981753  0.12784988  0.87724582
   0.63107165  0.42158265  0.62871657
   0.79129888  0.39564184  0.81584099
   0.59773708  0.67397834 -0.02553763
   0.91315050  0.57680519  0.35484782
   0.57215410  0.89232136  0.13251560
   0.84208357  0.85596187  0.23883375
   0.67974009  0.67393195  0.47125854
   0.87861439  0.67815391  0.89194271
   0.68703398  0.93318429  0.61775300
   0.90218827  0.90643070  0.74754498
   0.13440880  0.08498358  0.11425147
   0.38455586  0.18441502  0.27315954
   0.19888061  0.32161678  0.02930554
   0.43660730  0.43338134  0.33865236
   0.55118657  0.34663353  0.17696804
   0.29815312  0.39826525  0.17975033
   0.20358620  0.13077798  0.41229938
  -0.05615060  0.16351226  0.41308182
   0.04860529 -0.02447242  0.51408426
   0.44656915  0.24628941  0.78999404
   0.07300831  0.22486657  0.57013973
   0.32854460  0.46506460  0.83364483
   0.48405656  0.45392068  0.67678460
   0.22946052  0.34967660  0.68439500
   0.28452799  0.15644836 -0.07821386
   0.04164025  0.10455190  0.95939797
   0.15816903  0.57732893  0.07926919
   0.38999653  0.70628792  0.27980333
   0.17229979  0.84237731  0.06062999
   0.35722691  0.94224769  0.36630825
   0.43015683  0.92676028  0.18922471
   0.17411210  0.89092622  0.23702905
   0.31899241  0.62313346  0.44088435
   0.07607639  0.56462317  0.38888135
   0.26550540  0.41595117  0.50798474
   0.32620062  0.69131976  0.74658033
   0.13840547  0.72695021  0.51476688
   0.39005925  0.98788979  0.77739389
   0.54340092  0.86876272  0.64384739
   0.26484440  0.90864435  0.62092068
   0.29557386  0.68989042 -0.05631231
   0.01646219  0.69814282  0.94112215
   0.62807859  0.05260361  0.09506156
   0.85320454  0.20296101  0.22573201
   0.63730750  0.27518331  0.01533346
   0.84467847  0.44320734  0.32137458
   0.03671787  0.39974882  0.16943248
   0.78187764  0.43443737  0.11360069
   0.69911552  0.19926923  0.37885299
   0.46552406  0.18406076  0.44910496
   0.65890177  0.05842025  0.54329266
   0.89567548  0.27477032  0.83336418
   0.62861158  0.32260477  0.53741723
   0.87752235  0.53487692  0.83676939
   1.06299218  0.50481424  0.57240297
   0.74865591  0.38152837  0.70553364
   0.79216638  0.07839621  0.93042503
   0.52045037  0.07376791  0.93133771
   0.56861949  0.53170649  0.03882456
   0.89719868  0.71523144  0.27989603
   0.55331877  0.81011496  0.03354746
   0.83697164  0.97211985  0.32028313
   0.93375071  0.90654416  0.15089193
   0.69749300  0.83313069  0.19573903
   0.83381494  0.64003149  0.45210638
   0.57930181  0.59562964  0.40883030
   0.64781916  0.59141081  0.57783611
   0.85748760  0.78688877  0.81096783
   0.63534182  0.82556627  0.46862221
   0.98689138  1.02606166  0.79945172
   1.00121503  0.82514938  0.66698376
   0.77890326  0.98708394  0.70553121
   0.75910736  0.68894923  0.96761762
   0.52066409  0.65077932  0.87581132
   0.78096937  0.83129976  0.59151222
   0.66333063  0.89015817  0.41505083
   0.92747304  0.24584082  0.05690569
   0.69614156  1.13504049  0.14930085
   0.40801033  0.08971948  0.62467401
   0.37667702  0.99059916  1.05884113
   0.39049735  0.89283045 -0.57371738
   0.35134094  1.07607534  0.06030633
   0.66064136  0.39564220  0.86914094
   0.60507459  0.64851228  0.61834613
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.954129    0.218338   -0.113111
    -0.000000    9.991178    0.249993
    -0.000000    0.000000   14.237006
   Si   O    H 
    32    64    10
Direct configuration=  3175
   0.18154763  0.15889438  0.00741131
   0.35493847  0.11738829  0.37564191
   0.17294492  0.42270109  0.10771003
   0.41869210  0.34041703  0.24354408
   0.07345549  0.13063698  0.48052582
   0.40561839  0.11147533  0.85088968
   0.15293425  0.36861530  0.58271856
   0.36611693  0.38111808  0.73958984
   0.15762083  0.70153962  0.00003596
   0.43130648  0.59048317  0.36660499
   0.10052428  0.93719386  0.13835915
   0.33217304  0.85385922  0.25941041
   0.17728440  0.57187697  0.48070977
   0.35231579  0.62727612  0.84710475
   0.11693561  0.85623940  0.58770431
   0.40029379  0.96153657  0.66469793
   0.65496384  0.11913763  0.98352434
   0.83983158  0.13699115  0.33341490
   0.63513480  0.40983789  0.08458476
   0.89717594  0.32708631  0.15073118
   0.62211984  0.18732574  0.48143093
   0.93000087  0.12750693  0.87827494
   0.62939201  0.42108496  0.62925446
   0.79292661  0.39543002  0.81576799
   0.59799465  0.67491258 -0.02508198
   0.91412154  0.57693675  0.35516466
   0.57122456  0.89197649  0.13338579
   0.84202572  0.85603521  0.23867142
   0.67850651  0.67333688  0.47062174
   0.87904161  0.67931757  0.89149212
   0.68702551  0.93447879  0.61794551
   0.90274982  0.90703045  0.74791061
   0.13527192  0.08539266  0.11406192
   0.38440134  0.18448283  0.27319340
   0.20015343  0.32072450  0.02972102
   0.43668533  0.43263265  0.33930246
   0.55109929  0.34493239  0.17619414
   0.29804317  0.39804594  0.17985129
   0.20332425  0.12839874  0.41215026
  -0.05633769  0.16521024  0.41310084
   0.04792282 -0.02477325  0.51382040
   0.44635820  0.24713744  0.78942534
   0.07471939  0.22513990  0.56964808
   0.32917140  0.46593452  0.83347981
   0.48360620  0.45236484  0.67711702
   0.23073142  0.34860190  0.68362901
   0.28454656  0.15559018 -0.07827506
   0.04010138  0.10399817  0.95927394
   0.15904274  0.57763147  0.07955935
   0.39060065  0.70793204  0.28037771
   0.17407437  0.84175420  0.06092315
   0.35551980  0.94439247  0.36611658
   0.42873182  0.92904947  0.19007053
   0.17367182  0.89084253  0.23791303
   0.31780197  0.62362475  0.44114827
   0.07692617  0.56622896  0.38935402
   0.26480097  0.41597619  0.50740999
   0.32738636  0.69163688  0.74617208
   0.13849869  0.72707603  0.51374999
   0.39039536  0.98669843  0.77693207
   0.54461543  0.86882529  0.64469514
   0.26493945  0.90733384  0.62140974
   0.29545012  0.68995827 -0.05577573
   0.01768605  0.69898944  0.94103171
   0.62970398  0.05348656  0.09589199
   0.85305779  0.20405547  0.22571934
   0.63811244  0.27656154  0.01575857
   0.84553631  0.44378170  0.32077803
   0.03456976  0.40192642  0.16931307
   0.78368701  0.43513447  0.11354419
   0.69938064  0.19910295  0.37986081
   0.46405851  0.18386452  0.44659688
   0.65883695  0.05806869  0.54294148
   0.89588616  0.27222238  0.83466817
   0.63050439  0.32472490  0.53691749
   0.87689551  0.53503390  0.83825040
   1.06164307  0.50362900  0.57162713
   0.75010285  0.38271345  0.70655595
   0.79150364  0.07626605  0.93078194
   0.52082332  0.07278367  0.92910581
   0.56884762  0.53213521  0.03795445
   0.89705744  0.71540699  0.27979199
   0.55435848  0.80958837  0.03433465
   0.83520592  0.97067908  0.32143857
   0.93477626  0.90811761  0.15005130
   0.69844489  0.83449844  0.19523372
   0.83381286  0.63789778  0.45268659
   0.57845058  0.59609986  0.40877976
   0.64758746  0.58945592  0.57785069
   0.85725120  0.78448893  0.80991888
   0.63457935  0.82660706  0.46800476
   0.98567449  1.02619843  0.79936756
   1.00030338  0.82701587  0.66671720
   0.77685404  0.98829160  0.70407409
   0.75929572  0.68798564  0.96719414
   0.52275431  0.65143372  0.87798391
   0.77785685  0.82714669  0.59471729
   0.67127148  0.89336651  0.41583740
   0.91798730  0.24935032  0.05582491
   0.69891341  1.12769542  0.15344722
   0.40790628  0.09487446  0.62358042
   0.37663301  0.99188312  1.05765633
   0.39499267  0.89539812 -0.56567043
   0.34683880  1.06259592  0.06078585
   0.65774990  0.40274463  0.86710249
   0.60424300  0.64812024  0.62733821
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955690    0.218150   -0.112739
    -0.000000    9.987197    0.251473
    -0.000000    0.000000   14.235937
   Si   O    H 
    32    64    10
Direct configuration=  3176
   0.18122595  0.15926222  0.00556590
   0.35506093  0.11645607  0.37468085
   0.17174383  0.42040606  0.10833549
   0.41922294  0.33973850  0.24499939
   0.07327016  0.13061100  0.48000436
   0.40462577  0.11084212  0.85104723
   0.15348657  0.36974973  0.58317432
   0.36521391  0.38045586  0.73932812
   0.15758046  0.70266159  0.00087883
   0.43019481  0.59033545  0.36646558
   0.10026272  0.93707447  0.13819032
   0.33277522  0.85331815  0.25853652
   0.17621625  0.57146817  0.48009084
   0.35159506  0.62760147  0.84625533
   0.11662134  0.85557069  0.58674426
   0.39988276  0.96211778  0.66500124
   0.65335242  0.11841007  0.98375955
   0.84110583  0.13734461  0.33344369
   0.63447883  0.40908514  0.08530881
   0.89614994  0.32709363  0.15019401
   0.62180672  0.18785634  0.48193661
   0.93055022  0.12672045  0.87957862
   0.62735208  0.42051541  0.62983301
   0.79505036  0.39580324  0.81573842
   0.59803829  0.67567767 -0.02495859
   0.91545956  0.57730340  0.35569963
   0.57048807  0.89106693  0.13403055
   0.84233202  0.85626890  0.23863040
   0.67785303  0.67224517  0.46982954
   0.87908783  0.67972308  0.89062685
   0.68738935  0.93558875  0.61821587
   0.90380529  0.90746522  0.74808697
   0.13649198  0.08660420  0.11371110
   0.38457837  0.18427114  0.27349872
   0.20155264  0.31938767  0.02961882
   0.43676321  0.43177627  0.34026439
   0.55095888  0.34334413  0.17571324
   0.29797870  0.39811837  0.18010543
   0.20316953  0.12724238  0.41182440
  -0.05611001  0.16727817  0.41375624
   0.04730713 -0.02473497  0.51416568
   0.44696085  0.24832249  0.78908628
   0.07733564  0.22493634  0.56911093
   0.32979926  0.46720744  0.83338888
   0.48368980  0.45127070  0.67703379
   0.23196437  0.34725836  0.68296906
   0.28484462  0.15390409 -0.07885151
   0.03943665  0.10485202  0.95924375
   0.15944243  0.57844688  0.07998812
   0.39127162  0.70856792  0.28112547
   0.17504057  0.84143329  0.06082674
   0.35442365  0.94631803  0.36637139
   0.42738727  0.93170541  0.19079857
   0.17409821  0.89069202  0.23874804
   0.31701097  0.62425090  0.44096393
   0.07725211  0.56792488  0.39022060
   0.26418005  0.41552559  0.50687716
   0.32968542  0.69152754  0.74585472
   0.13818042  0.72771755  0.51332768
   0.39040521  0.98610733  0.77672342
   0.54548476  0.86942005  0.64523525
   0.26457531  0.90568798  0.62136350
   0.29515795  0.69020565 -0.05553099
   0.01930487  0.69973650  0.94212367
   0.63140222  0.05489044  0.09721127
   0.85348541  0.20449683  0.22557318
   0.63865622  0.27820248  0.01636209
   0.84615094  0.44441533  0.32020496
   0.03206628  0.40358223  0.16919677
   0.78576345  0.43574335  0.11391382
   0.69986408  0.19879130  0.38023289
   0.46252180  0.18276721  0.44497686
   0.65855230  0.05777490  0.54280789
   0.89562973  0.27001960  0.83623763
   0.63212374  0.32646239  0.53714087
   0.87651110  0.53467125  0.83985996
   1.06086721  0.50261573  0.57090538
   0.75129189  0.38364460  0.70698150
   0.79049211  0.07415637  0.93136960
   0.52251108  0.07172522  0.92723907
   0.56907994  0.53380631  0.03760241
   0.89655283  0.71548859  0.28059264
   0.55586672  0.80924594  0.03570281
   0.83344284  0.96922069  0.32268168
   0.93595418  0.91042222  0.15029988
   0.69881963  0.83520079  0.19451371
   0.83417260  0.63543073  0.45339531
   0.57802536  0.59631143  0.40831805
   0.64627838  0.58833584  0.57878863
   0.85772581  0.78254480  0.80864668
   0.63388365  0.82831352  0.46671416
   0.98402736  1.02576308  0.79874631
   0.99985396  0.82893586  0.66667179
   0.77484574  0.99015919  0.70261496
   0.75971904  0.68746976  0.96700467
   0.52409497  0.65265629  0.87994922
   0.77780349  0.82087221  0.60023363
   0.67701890  0.89233635  0.42065430
   0.90894270  0.25666836  0.05731025
   0.69420798  1.11093634  0.15034708
   0.40876755  0.10048864  0.62332991
   0.37532956  0.99172995  1.05630670
   0.39491186  0.89848407 -0.56611722
   0.34289288  1.05356404  0.06256377
   0.65704714  0.40912140  0.86455158
   0.60700630  0.64508509  0.62950667
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.957252    0.218195   -0.112406
    -0.000000    9.983088    0.253113
    -0.000000    0.000000   14.235440
   Si   O    H 
    32    64    10
Direct configuration=  3177
   0.18107745  0.15952344  0.00390935
   0.35511637  0.11602201  0.37412907
   0.17038031  0.41898618  0.10897894
   0.42064548  0.33865070  0.24622716
   0.07327290  0.12993362  0.47953509
   0.40341148  0.11068025  0.85112035
   0.15352539  0.37052369  0.58345065
   0.36427914  0.38021439  0.73962031
   0.15745139  0.70362043  0.00208712
   0.42877499  0.58979833  0.36624918
   0.10013847  0.93632776  0.13769429
   0.33200546  0.85292947  0.25759820
   0.17512217  0.57076203  0.47997620
   0.35134258  0.62843980  0.84540437
   0.11615291  0.85506539  0.58584066
   0.39981069  0.96242816  0.66518072
   0.65164688  0.11799353  0.98438112
   0.84153536  0.13777382  0.33354917
   0.63405614  0.40772737  0.08599344
   0.89537213  0.32717108  0.14983711
   0.62131891  0.18913517  0.48202414
   0.93097124  0.12531098  0.88093415
   0.62566581  0.42034609  0.63058119
   0.79662741  0.39696103  0.81594826
   0.59802029  0.67576312 -0.02471322
   0.91636906  0.57765176  0.35616917
   0.56963206  0.88995654  0.13511777
   0.84256112  0.85731410  0.23856495
   0.67736351  0.67074025  0.46909400
   0.87890326  0.67900217  0.88962228
   0.68748134  0.93652596  0.61843141
   0.90459226  0.90777500  0.74802997
   0.13713832  0.08816826  0.11316831
   0.38447936  0.18461148  0.27434961
   0.20163286  0.31745909  0.02988995
   0.43627330  0.43190841  0.34111662
   0.55060565  0.34204164  0.17559956
   0.29803647  0.39841299  0.18068542
   0.20227967  0.12658207  0.41100099
  -0.05501858  0.16965408  0.41388563
   0.04678915 -0.02426338  0.51464925
   0.44711898  0.24845318  0.78890771
   0.07989082  0.22530468  0.56847938
   0.33097570  0.46821266  0.83356339
   0.48401871  0.44933610  0.67703695
   0.23378104  0.34568085  0.68274337
   0.28514050  0.15195041 -0.07961759
   0.03925785  0.10655832  0.95915153
   0.16020285  0.57869565  0.07982450
   0.39173527  0.70860835  0.28219191
   0.17529581  0.84099329  0.06045828
   0.35412319  0.94831155  0.36670364
   0.42651098  0.93422127  0.19099959
   0.17504569  0.89114752  0.23928487
   0.31776915  0.62525172  0.44039188
   0.07673106  0.56939283  0.39044310
   0.26338284  0.41542383  0.50631476
   0.33156790  0.69234382  0.74522504
   0.13763075  0.72890932  0.51312506
   0.39020488  0.98586980  0.77701312
   0.54558609  0.87081866  0.64584043
   0.26391402  0.90372538  0.62147823
   0.29570931  0.69046791 -0.05499781
   0.02086996  0.70090318  0.94341882
   0.63225552  0.05620022  0.09881707
   0.85406391  0.20436918  0.22541799
   0.63909883  0.27922585  0.01700460
   0.84703901  0.44458977  0.31985424
   0.02979493  0.40522386  0.16870032
   0.78650008  0.43641772  0.11379227
   0.70049399  0.19785230  0.38068802
   0.46075468  0.18138973  0.44345681
   0.65769726  0.05805366  0.54291378
   0.89571035  0.26772592  0.83807757
   0.63366388  0.32779357  0.53814759
   0.87612440  0.53474860  0.84185680
   1.05943116  0.50170553  0.57013983
   0.75209263  0.38592778  0.70707090
   0.78949933  0.07183907  0.93213771
   0.52438917  0.07058664  0.92560809
   0.56945204  0.53565741  0.03739621
   0.89617837  0.71517656  0.28140214
   0.55630310  0.80920914  0.03757148
   0.83122332  0.96857817  0.32365457
   0.93699065  0.91288873  0.15067581
   0.69808253  0.83611358  0.19389649
   0.83422905  0.63292808  0.45393254
   0.57706873  0.59603899  0.40735969
   0.64476743  0.58764589  0.58022171
   0.85832771  0.78076416  0.80777518
   0.63291296  0.83039811  0.46506189
   0.98234226  1.02508740  0.79850891
   1.00037349  0.83102067  0.66639981
   0.77265366  0.99277776  0.70152001
   0.75918134  0.68671965  0.96703177
   0.52526325  0.65323193  0.88177241
   0.77653620  0.81301464  0.60724562
   0.68179772  0.88776165  0.42960940
   0.90389085  0.26081210  0.06252739
   0.68383424  1.08905365  0.13941570
   0.40923647  0.10321983  0.62167063
   0.38166484  0.98357427  1.05438907
   0.39043167  0.90229148 -0.57408669
   0.33625041  1.05627767  0.06440426
   0.66366434  0.40928005  0.86150975
   0.61386055  0.64090426  0.62756633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958280    0.218292   -0.112272
    -0.000000    9.978901    0.254381
    -0.000000    0.000000   14.234404
   Si   O    H 
    32    64    10
Direct configuration=  3178
   0.18081831  0.15996205  0.00272997
   0.35539618  0.11579814  0.37381733
   0.16987856  0.41783988  0.10943035
   0.42107847  0.33775163  0.24748064
   0.07302021  0.12896432  0.47920925
   0.40243913  0.11065802  0.85058235
   0.15343336  0.37113143  0.58357842
   0.36333871  0.37971912  0.74039456
   0.15779435  0.70485933  0.00326536
   0.42733949  0.58910544  0.36594503
   0.10039231  0.93604845  0.13738581
   0.33044563  0.85274484  0.25671688
   0.17383391  0.56998903  0.48019774
   0.35124272  0.62841727  0.84457548
   0.11529332  0.85429343  0.58494906
   0.39997524  0.96190367  0.66543937
   0.65027652  0.11818363  0.98519773
   0.84145140  0.13832424  0.33342992
   0.63347329  0.40616742  0.08672305
   0.89476190  0.32739866  0.14966746
   0.62054689  0.19032871  0.48169732
   0.93078720  0.12351681  0.88178258
   0.62444649  0.42015710  0.63168401
   0.79806817  0.39798027  0.81618873
   0.59808870  0.67561928 -0.02493804
   0.91730212  0.57777867  0.35658887
   0.56835592  0.88843605  0.13595868
   0.84271292  0.85791179  0.23837468
   0.67647020  0.66940987  0.46889758
   0.87852598  0.67742681  0.88853538
   0.68727108  0.93633836  0.61881946
   0.90545873  0.90843516  0.74769083
   0.13776700  0.08979477  0.11262056
   0.38462952  0.18527768  0.27503306
   0.20246403  0.31515601  0.03024677
   0.43477524  0.43223640  0.34130572
   0.55043712  0.34086126  0.17602944
   0.29811987  0.39926754  0.18120171
   0.20187683  0.12534029  0.41063159
  -0.05402989  0.17195099  0.41411109
   0.04703538 -0.02358156  0.51521490
   0.44731847  0.24765899  0.78849081
   0.08226785  0.22553757  0.56782184
   0.33147118  0.46900161  0.83321724
   0.48375925  0.44784308  0.67678980
   0.23494710  0.34286597  0.68287195
   0.28508003  0.15077277 -0.08132820
   0.04028985  0.10833790  0.95979840
   0.16133318  0.57900710  0.07919319
   0.39295143  0.70861493  0.28326223
   0.17426519  0.84016193  0.06041036
   0.35447926  0.94951771  0.36696256
   0.42730870  0.93645032  0.19095454
   0.17655124  0.89106479  0.23897553
   0.31869505  0.62658893  0.43958697
   0.07650303  0.57065165  0.39008572
   0.26211490  0.41556002  0.50574636
   0.33337723  0.69350540  0.74507106
   0.13636139  0.73049768  0.51301148
   0.39054910  0.98608959  0.77817407
   0.54543439  0.87210679  0.64591171
   0.26351418  0.90153530  0.62218451
   0.29646756  0.68964804 -0.05459828
   0.02212582  0.70104400  0.94441375
   0.63080793  0.05555932  0.09849575
   0.85416130  0.20475332  0.22501147
   0.63906329  0.27920722  0.01753588
   0.84812959  0.44507632  0.31931919
   0.02762968  0.40702953  0.16812744
   0.78706473  0.43808159  0.11350681
   0.70107334  0.19655695  0.38101233
   0.45894414  0.17986409  0.44253262
   0.65745718  0.05841585  0.54282149
   0.89537266  0.26594522  0.83921628
   0.63452385  0.32912775  0.53889226
   0.87519181  0.53424394  0.84393386
   1.05805479  0.50157061  0.56956408
   0.75281582  0.38840583  0.70720268
   0.78832854  0.06940575  0.93299223
   0.52631202  0.06956298  0.92452320
   0.56935419  0.53742343  0.03745632
   0.89544226  0.71452403  0.28231209
   0.55616981  0.80879330  0.03949953
   0.82957501  0.96860287  0.32471192
   0.93821362  0.91455148  0.15075970
   0.69769051  0.83720033  0.19336568
   0.83437515  0.63103809  0.45379663
   0.57510800  0.59577560  0.40623497
   0.64368876  0.58686424  0.58132514
   0.85899581  0.77898852  0.80678719
   0.63106845  0.83196159  0.46409296
   0.98092470  1.02468615  0.79832195
   1.00116708  0.83295882  0.66692738
   0.77138158  0.99548565  0.70080748
   0.75845862  0.68670115  0.96715263
   0.52595903  0.65449990  0.88337454
   0.77461804  0.80753929  0.61117250
   0.69252709  0.89234997  0.43158332
   0.90325209  0.25739259  0.06613430
   0.70108513  1.08834100  0.14805560
   0.41350105  0.10282882  0.61965810
   0.38187550  0.98632668  1.05220366
   0.38586486  0.90576509 -0.58259106
   0.33646771  1.04870098  0.06441749
   0.67011453  0.40718874  0.85924849
   0.61768517  0.64765708  0.63178993
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959108    0.218462   -0.111835
    -0.000000    9.975196    0.255381
    -0.000000    0.000000   14.233049
   Si   O    H 
    32    64    10
Direct configuration=  3179
   0.18078601  0.16026732  0.00175773
   0.35523021  0.11579007  0.37375457
   0.17010121  0.41692752  0.11012256
   0.42079044  0.33672710  0.24873487
   0.07304147  0.12754838  0.47875965
   0.40127521  0.11108313  0.85013633
   0.15347262  0.37166039  0.58367553
   0.36271871  0.37970517  0.74143579
   0.15821047  0.70575047  0.00430773
   0.42598129  0.58807187  0.36553276
   0.10072100  0.93570599  0.13775027
   0.32922759  0.85219805  0.25619848
   0.17299366  0.57003279  0.48034944
   0.35159706  0.62891883  0.84438694
   0.11459639  0.85315131  0.58420493
   0.40063114  0.96113606  0.66580180
   0.64895460  0.11823008  0.98566509
   0.84077470  0.13921782  0.33303730
   0.63254695  0.40447710  0.08761548
   0.89457122  0.32726483  0.14929735
   0.61997742  0.19144944  0.48148742
   0.93050416  0.12195553  0.88272436
   0.62386408  0.42027976  0.63253675
   0.79935239  0.39921365  0.81684362
   0.59844372  0.67551582 -0.02455235
   0.91825678  0.57787534  0.35659124
   0.56691256  0.88700607  0.13737903
   0.84314609  0.85806695  0.23850764
   0.67633162  0.66804167  0.46898861
   0.87887318  0.67613815  0.88753741
   0.68716449  0.93585638  0.61945942
   0.90680771  0.90817747  0.74711875
   0.13932287  0.09176187  0.11167546
   0.38461095  0.18550452  0.27608748
   0.20315327  0.31308984  0.03083405
   0.43344220  0.43155814  0.34138062
   0.54975511  0.33945395  0.17662096
   0.29814305  0.40076792  0.18170892
   0.20232682  0.12355185  0.41052950
  -0.05268622  0.17482307  0.41422670
   0.04700933 -0.02318557  0.51574651
   0.44760189  0.24675600  0.78814313
   0.08501327  0.22599872  0.56735171
   0.33256665  0.46953595  0.83288274
   0.48351384  0.44655862  0.67637625
   0.23576945  0.34069631  0.68351645
   0.28481374  0.15016468 -0.08355533
   0.04184653  0.10994633  0.96035499
   0.16173999  0.57992008  0.07848649
   0.39417184  0.70838376  0.28393893
   0.17318925  0.83971333  0.06033391
   0.35466150  0.95201576  0.36616901
   0.42835326  0.93867084  0.19065143
   0.17748053  0.89040355  0.23823117
   0.31924679  0.62796680  0.43899520
   0.07592190  0.57127680  0.38929428
   0.26057517  0.41550220  0.50532413
   0.33476334  0.69501246  0.74491920
   0.13448136  0.73228745  0.51308955
   0.38997244  0.98667698  0.77920213
   0.54436700  0.87465308  0.64592098
   0.26299354  0.90022750  0.62338776
   0.29724659  0.68839525 -0.05452590
   0.02249473  0.70156546  0.94496903
   0.62891580  0.05484905  0.09833557
   0.85381619  0.20515897  0.22501281
   0.63936773  0.27896747  0.01748986
   0.84980174  0.44532558  0.31864377
   0.02604349  0.40914709  0.16759516
   0.78754529  0.44019876  0.11330175
   0.70084521  0.19498653  0.38107260
   0.45828912  0.17820841  0.44183122
   0.65796635  0.05846906  0.54229405
   0.89461195  0.26500300  0.84006587
   0.63501090  0.33027468  0.53998811
   0.87475253  0.53364349  0.84539853
   1.05615191  0.50160041  0.56975293
   0.75248525  0.39105492  0.70665409
   0.78700648  0.06781854  0.93353731
   0.52716070  0.06882372  0.92379845
   0.56967610  0.53960380  0.03755743
   0.89517898  0.71308403  0.28299432
   0.55591547  0.80811435  0.04147278
   0.82805147  0.96903745  0.32594708
   0.93853783  0.91531676  0.15045068
   0.69652415  0.83784634  0.19280375
   0.83319699  0.62903066  0.45372547
   0.57308023  0.59586819  0.40576778
   0.64259483  0.58567434  0.58282283
   0.85941155  0.77696671  0.80580044
   0.62866752  0.83410699  0.46313919
   0.97923725  1.02434863  0.79848421
   1.00159699  0.83487797  0.66741325
   0.77173364  0.99743259  0.70117044
   0.75811272  0.68656383  0.96749653
   0.52629560  0.65590038  0.88464821
   0.77122151  0.80662786  0.61250660
   0.70484607  0.89895236  0.43105115
   0.90446649  0.24792868  0.06570065
   0.71158662  1.08632786  0.15261307
   0.42021905  0.09998283  0.62083836
   0.38386518  0.98904881  1.04689420
   0.39456817  0.88914918 -0.57111897
   0.33726614  1.04301885  0.06339922
   0.67205456  0.40373759  0.85730356
   0.62164589  0.65484350  0.63246903
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959556    0.218186   -0.111666
    -0.000000    9.970811    0.255500
    -0.000000    0.000000   14.231953
   Si   O    H 
    32    64    10
Direct configuration=  3180
   0.18079254  0.16057154  0.00127959
   0.35496387  0.11527001  0.37401381
   0.17018766  0.41671216  0.11091383
   0.42064895  0.33606493  0.24952448
   0.07319015  0.12645598  0.47804379
   0.40068163  0.11133592  0.84944730
   0.15416527  0.37208781  0.58414697
   0.36221895  0.37955984  0.74211504
   0.15803228  0.70588786  0.00504651
   0.42503549  0.58712381  0.36521754
   0.10060777  0.93583767  0.13829463
   0.32839659  0.85137372  0.25574297
   0.17165302  0.57013301  0.48080260
   0.35256847  0.62939223  0.84423233
   0.11412080  0.85277755  0.58314343
   0.40103458  0.96010370  0.66590169
   0.64859090  0.11843953  0.98588674
   0.83940596  0.14021727  0.33261332
   0.63205689  0.40329759  0.08812680
   0.89469108  0.32697648  0.14912604
   0.61926731  0.19275894  0.48068612
   0.93002738  0.11991402  0.88396206
   0.62358411  0.42046865  0.63344520
   0.80017492  0.40063125  0.81755923
   0.59930874  0.67572637 -0.02386230
   0.91915895  0.57863412  0.35640169
   0.56556629  0.88650888  0.13837296
   0.84401475  0.85801818  0.23871318
   0.67675549  0.66699600  0.46926674
   0.87935799  0.67479067  0.88720407
   0.68679868  0.93560001  0.61986755
   0.90896630  0.90736084  0.74635497
   0.14052259  0.09308170  0.11017314
   0.38379397  0.18506688  0.27696054
   0.20329122  0.31097888  0.03067578
   0.43189104  0.43063877  0.34096925
   0.54910422  0.33866329  0.17737456
   0.29834298  0.40184966  0.18255300
   0.20208397  0.12191018  0.41053296
  -0.05094358  0.17789732  0.41345054
   0.04682176 -0.02249929  0.51601006
   0.44727518  0.24552876  0.78785787
   0.08780916  0.22551250  0.56760598
   0.33350124  0.46972396  0.83228877
   0.48131801  0.44588173  0.67569090
   0.23674159  0.33903225  0.68400438
   0.28493371  0.14927108 -0.08547262
   0.04300725  0.11097442  0.96118551
   0.16271020  0.57984375  0.07804457
   0.39500074  0.70748813  0.28477693
   0.17308245  0.83974087  0.06031420
   0.35525615  0.95256985  0.36602577
   0.42908222  0.94064644  0.19050707
   0.17852095  0.88954732  0.23772293
   0.31982160  0.62999816  0.43888860
   0.07551205  0.57140159  0.38825470
   0.25881467  0.41579033  0.50452068
   0.33542801  0.69601594  0.74418392
   0.13160082  0.73329818  0.51369124
   0.38922376  0.98635906  0.78005174
   0.54275798  0.87678311  0.64585601
   0.26217303  0.89853504  0.62450504
   0.29808736  0.68746465 -0.05469118
   0.02219424  0.70216054  0.94522734
   0.62770224  0.05455977  0.09877913
   0.85270405  0.20600926  0.22503620
   0.64013057  0.27854590  0.01698078
   0.85063034  0.44552991  0.31775625
   0.02581760  0.41086928  0.16728714
   0.78775970  0.44215195  0.11352053
   0.70063914  0.19288703  0.38100435
   0.45834499  0.17607605  0.44092923
   0.65841344  0.05815237  0.54135007
   0.89301283  0.26404720  0.84136970
   0.63495995  0.33164148  0.54110299
   0.87397412  0.53177039  0.84684507
   1.05391170  0.50134156  0.56957494
   0.75264198  0.39339835  0.70591135
   0.78610105  0.06636158  0.93426351
   0.52706845  0.06834291  0.92263934
   0.56983434  0.54179604  0.03755165
   0.89519961  0.71128007  0.28299498
   0.55559043  0.80756463  0.04354977
   0.82701691  0.96943119  0.32693394
   0.93931587  0.91688542  0.15023456
   0.69477221  0.83823040  0.19210919
   0.83274629  0.62705295  0.45389984
   0.57142619  0.59565815  0.40506989
   0.64174540  0.58494485  0.58432910
   0.85944521  0.77556515  0.80443756
   0.62765646  0.83694069  0.46205089
   0.97810871  1.02425295  0.79874614
   1.00233249  0.83598515  0.66804893
   0.77185946  0.99994359  0.70242125
   0.75795542  0.68628054  0.96752988
   0.52522110  0.65688855  0.88490107
   0.76925230  0.80612324  0.61108151
   0.70860693  0.89913946  0.43498183
   0.90895325  0.23430114  0.06298332
   0.71171426  1.08020623  0.14914616
   0.42468649  0.09489126  0.62366507
   0.38985556  0.98700402  1.04102271
   0.39855831  0.88023211 -0.56831569
   0.33749762  1.04299342  0.06123550
   0.67222585  0.39722567  0.85870225
   0.62922136  0.65611240  0.62704551
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959836    0.218061   -0.111574
    -0.000000    9.965999    0.254916
    -0.000000    0.000000   14.231182
   Si   O    H 
    32    64    10
Direct configuration=  3181
   0.18065933  0.16058806  0.00108795
   0.35412707  0.11429927  0.37440966
   0.17048056  0.41741459  0.11181478
   0.42072497  0.33510887  0.25025925
   0.07312120  0.12490009  0.47684824
   0.40031173  0.11156903  0.84888088
   0.15399775  0.37261351  0.58463937
   0.36232510  0.37919833  0.74270650
   0.15767920  0.70620579  0.00629369
   0.42384375  0.58647474  0.36504430
   0.10066094  0.93620784  0.13870865
   0.32817816  0.85082698  0.25519356
   0.17051531  0.57011295  0.48127108
   0.35376802  0.63003973  0.84366661
   0.11339001  0.85275430  0.58176914
   0.40132652  0.95909132  0.66584282
   0.64780290  0.11897905  0.98597840
   0.83837665  0.14073386  0.33236360
   0.63114025  0.40286128  0.08804373
   0.89497885  0.32663044  0.14915003
   0.61828109  0.19375219  0.47991932
   0.92930240  0.11775175  0.88498671
   0.62335386  0.42137187  0.63417843
   0.80091125  0.40202910  0.81821825
   0.59995148  0.67564478 -0.02288975
   0.92009042  0.57943803  0.35638709
   0.56500382  0.88705992  0.13911730
   0.84429460  0.85778041  0.23942079
   0.67739323  0.66592725  0.46966523
   0.87981888  0.67376922  0.88740033
   0.68661493  0.93548664  0.62024730
   0.91070454  0.90677116  0.74543066
   0.14170680  0.09398168  0.10895009
   0.38303562  0.18490188  0.27782880
   0.20257159  0.31029544  0.03024234
   0.43030470  0.42980738  0.34021185
   0.54872377  0.33728381  0.17793612
   0.29838316  0.40195520  0.18295188
   0.20205212  0.12031466  0.41025957
  -0.05018002  0.18057647  0.41308282
   0.04620609 -0.02123856  0.51667658
   0.44684090  0.24353886  0.78730323
   0.09040894  0.22444033  0.56842187
   0.33355641  0.46869724  0.83195845
   0.47878299  0.44615489  0.67549249
   0.23723867  0.33818104  0.68410059
   0.28482847  0.14859684 -0.08686605
   0.04383226  0.11188777  0.96214250
   0.16411969  0.57971416  0.07789818
   0.39507895  0.70582160  0.28520390
   0.17288680  0.83983250  0.06019808
   0.35648749  0.95185371  0.36637738
   0.43024732  0.94229820  0.19028995
   0.17827821  0.88936202  0.23718409
   0.32004780  0.63167211  0.43931237
   0.07566162  0.57079612  0.38673533
   0.25639752  0.41532868  0.50296724
   0.33555938  0.69727564  0.74282803
   0.12856564  0.73422969  0.51459507
   0.38844199  0.98625687  0.78111094
   0.54060983  0.87895887  0.64551790
   0.26087010  0.89676690  0.62545785
   0.29827606  0.68645260 -0.05453018
   0.02088835  0.70252806  0.94516204
   0.62680812  0.05334255  0.09995085
   0.85231873  0.20710805  0.22458933
   0.64026736  0.27789766  0.01578081
   0.85173158  0.44648803  0.31742291
   0.02662246  0.41267692  0.16701020
   0.78691284  0.44408568  0.11377657
   0.70016532  0.19100198  0.38153730
   0.45888638  0.17416547  0.44038721
   0.65875273  0.05802507  0.54012840
   0.89178335  0.26363345  0.84159196
   0.63456631  0.33260248  0.54213928
   0.87386568  0.52890207  0.84828997
   1.05263936  0.50111942  0.56978450
   0.75265005  0.39567149  0.70541837
   0.78450692  0.06497351  0.93486951
   0.52715549  0.06777223  0.92133428
   0.56986234  0.54345711  0.03734448
   0.89467777  0.71059330  0.28298702
   0.55503317  0.80653678  0.04520950
   0.82513739  0.96913081  0.32749067
   0.94023610  0.91842543  0.15004243
   0.69394909  0.83875827  0.19190076
   0.83170534  0.62499477  0.45459048
   0.57009338  0.59577832  0.40421181
   0.64138815  0.58418509  0.58563255
   0.86023567  0.77495157  0.80291906
   0.62752059  0.83957826  0.46072489
   0.97724736  1.02413803  0.79946843
   1.00324492  0.83734158  0.66802653
   0.77236160  1.00213106  0.70378049
   0.75881257  0.68667913  0.96781956
   0.52300031  0.65835632  0.88490978
   0.76926164  0.80537257  0.60978580
   0.70360150  0.88922915  0.44149888
   0.91113808  0.22696986  0.06466565
   0.70204593  1.07172466  0.13880884
   0.43021658  0.09087088  0.62568667
   0.39510545  0.98675215  1.03450205
   0.39612048  0.88260290 -0.57422526
   0.33930167  1.04398578  0.05646658
   0.66957710  0.39077092  0.86386787
   0.63507636  0.66315723  0.62764380
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959832    0.217681   -0.111170
    -0.000000    9.961207    0.254357
    -0.000000    0.000000   14.230344
   Si   O    H 
    32    64    10
Direct configuration=  3182
   0.18061523  0.16034246  0.00105690
   0.35318984  0.11367559  0.37488249
   0.17165861  0.41842603  0.11259155
   0.42076610  0.33489538  0.25056346
   0.07311794  0.12385007  0.47598902
   0.40068669  0.11154162  0.84818885
   0.15281600  0.37308188  0.58527236
   0.36372103  0.37896514  0.74333015
   0.15733175  0.70613070  0.00725228
   0.42254785  0.58605719  0.36496923
   0.10068057  0.93678821  0.13880821
   0.32867418  0.85031490  0.25542385
   0.16882463  0.57045282  0.48163040
   0.35575218  0.63107835  0.84310488
   0.11259481  0.85332440  0.58068003
   0.40115541  0.95742503  0.66604324
   0.64664532  0.11937115  0.98544713
   0.83753901  0.14156179  0.33206287
   0.63041296  0.40301791  0.08782298
   0.89542325  0.32629269  0.14915006
   0.61746332  0.19460679  0.47924959
   0.92831984  0.11587120  0.88526503
   0.62280773  0.42217879  0.63517375
   0.80161234  0.40276958  0.81845980
   0.60015564  0.67594706 -0.02147274
   0.92084523  0.58040909  0.35663809
   0.56433544  0.88744732  0.13941511
   0.84476643  0.85769075  0.24066759
   0.67722206  0.66540329  0.46961528
   0.88024161  0.67315477  0.88813327
   0.68649415  0.93523728  0.62055208
   0.91170374  0.90687932  0.74446940
   0.14333515  0.09415435  0.10810068
   0.38194211  0.18446120  0.27843877
   0.20218512  0.31060967  0.03009292
   0.42838743  0.42940736  0.33945734
   0.54904054  0.33595698  0.17814034
   0.29773335  0.40198079  0.18363509
   0.20187132  0.11986271  0.40992185
  -0.04849976  0.18307406  0.41233571
   0.04670456 -0.01998790  0.51781166
   0.44625664  0.24170169  0.78649244
   0.09237333  0.22332509  0.56911225
   0.33373486  0.46723855  0.83217586
   0.47687169  0.44562730  0.67532339
   0.23770232  0.33794742  0.68366870
   0.28423875  0.14796304 -0.08746854
   0.04387017  0.11288738  0.96226636
   0.16569019  0.57857715  0.07798465
   0.39486801  0.70442082  0.28568693
   0.17290077  0.84149734  0.06037051
   0.35808134  0.94913692  0.36679174
   0.43159245  0.94447461  0.18993283
   0.17830664  0.88887325  0.23717035
   0.31950768  0.63277216  0.44012968
   0.07607437  0.56966390  0.38450373
   0.25395662  0.41564830  0.50153383
   0.33571337  0.69801048  0.74175499
   0.12726187  0.73437355  0.51534009
   0.38775525  0.98640814  0.78182836
   0.53928786  0.88048254  0.64531325
   0.25919673  0.89622090  0.62590141
   0.29788895  0.68567240 -0.05454791
   0.01953024  0.70308200  0.94531077
   0.62566973  0.05136167  0.10058381
   0.85199979  0.20804362  0.22408187
   0.64050285  0.27699535  0.01461756
   0.85296535  0.44719175  0.31694626
   0.02886528  0.41364326  0.16675399
   0.78575842  0.44565234  0.11404268
   0.69995578  0.18961923  0.38197421
   0.46131882  0.17277216  0.44039158
   0.65836166  0.05833092  0.53926956
   0.89031106  0.26437911  0.84195388
   0.63395134  0.33353332  0.54349353
   0.87412857  0.52548399  0.84945561
   1.05107282  0.50080504  0.57091708
   0.75187352  0.39785829  0.70484133
   0.78310270  0.06489705  0.93537920
   0.52658505  0.06745884  0.92003778
   0.56911836  0.54420906  0.03768201
   0.89422772  0.71059908  0.28251710
   0.55405230  0.80537721  0.04668733
   0.82338654  0.96890862  0.32751335
   0.94100598  0.91954319  0.14982922
   0.69349338  0.83949386  0.19232085
   0.83018550  0.62328250  0.45526700
   0.56930229  0.59612312  0.40369455
   0.64089817  0.58359694  0.58664721
   0.86185277  0.77538955  0.80110630
   0.62777278  0.84095290  0.45928164
   0.97646620  1.02472594  0.79999194
   1.00380298  0.83953513  0.66767347
   0.77307807  1.00295917  0.70464253
   0.76013424  0.68676778  0.96798441
   0.52126615  0.65995143  0.88434021
   0.76998846  0.80722405  0.60906716
   0.70225431  0.88559412  0.44859918
   0.90970862  0.22581717  0.06954279
   0.70124802  1.06960375  0.13284127
   0.42948667  0.08798613  0.62640183
   0.39680630  0.99290790  1.02875968
   0.38829813  0.89462626 -0.58431248
   0.34548381  1.04293740  0.05041156
   0.66794201  0.38530197  0.87155501
   0.63800666  0.66073279  0.62965289
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960100    0.216980   -0.110428
    -0.000000    9.956629    0.253939
    -0.000000    0.000000   14.229322
   Si   O    H 
    32    64    10
Direct configuration=  3183
   0.18116958  0.15996342  0.00102315
   0.35258749  0.11256984  0.37553498
   0.17302026  0.41952176  0.11363867
   0.42093951  0.33421672  0.25083857
   0.07241213  0.12347408  0.47554855
   0.40102757  0.11158332  0.84747248
   0.15156410  0.37314726  0.58581829
   0.36509487  0.37892491  0.74378456
   0.15725118  0.70571033  0.00795385
   0.42132663  0.58525352  0.36500359
   0.10081419  0.93731836  0.13914395
   0.33045261  0.85029893  0.25596735
   0.16756905  0.57015581  0.48223232
   0.35787600  0.63241877  0.84314879
   0.11159244  0.85343806  0.58035809
   0.40045217  0.95607097  0.66612151
   0.64590492  0.12033918  0.98473685
   0.83784615  0.14283674  0.33216094
   0.62964934  0.40269425  0.08731955
   0.89582350  0.32550962  0.14898261
   0.61662285  0.19503068  0.47885078
   0.92720139  0.11449249  0.88569580
   0.62227765  0.42237179  0.63620104
   0.80167587  0.40270114  0.81896667
   0.60012634  0.67636317 -0.02000518
   0.92179923  0.58212122  0.35727904
   0.56341715  0.88807562  0.13981190
   0.84527385  0.85755120  0.24174679
   0.67696413  0.66499751  0.46924944
   0.88036419  0.67241426  0.88900480
   0.68658962  0.93524998  0.62093676
   0.91242887  0.90713602  0.74364197
   0.14516454  0.09337948  0.10752215
   0.38098530  0.18360488  0.27905042
   0.20139691  0.31113855  0.02946250
   0.42659127  0.42852442  0.33895257
   0.54883812  0.33462057  0.17848652
   0.29716425  0.40148909  0.18449113
   0.20194340  0.11986233  0.40928938
  -0.04694323  0.18532725  0.41113417
   0.04741408 -0.01945667  0.51878344
   0.44537625  0.23870082  0.78563792
   0.09385163  0.22199496  0.56938736
   0.33344373  0.46617610  0.83294580
   0.47546839  0.44622720  0.67456571
   0.23818629  0.33859551  0.68353121
   0.28322051  0.14737098 -0.08758680
   0.04376285  0.11332075  0.96150996
   0.16657769  0.57683370  0.07791416
   0.39402541  0.70434479  0.28612023
   0.17309079  0.84336627  0.06074886
   0.35933484  0.94731142  0.36661644
   0.43228065  0.94640183  0.18981380
   0.17792353  0.88876449  0.23723749
   0.31894053  0.63350262  0.44085503
   0.07777022  0.56860250  0.38249850
   0.25094484  0.41652556  0.50063818
   0.33595231  0.69884594  0.74083069
   0.12570470  0.73343640  0.51566267
   0.38730800  0.98643107  0.78151551
   0.53872434  0.88185934  0.64561803
   0.25795790  0.89565989  0.62626509
   0.29605328  0.68496976 -0.05499974
   0.01794494  0.70506747  0.94530954
   0.62335462  0.04907096  0.10086554
   0.85121134  0.20882654  0.22426646
   0.63983732  0.27648445  0.01316050
   0.85403651  0.44765753  0.31624849
   0.03047150  0.41489450  0.16624548
   0.78511829  0.44633848  0.11388146
   0.69948240  0.18859560  0.38196057
   0.46409041  0.17163384  0.44100539
   0.65885696  0.05841804  0.53798132
   0.88933196  0.26527050  0.84217148
   0.63426212  0.33335940  0.54425602
   0.87547166  0.52314287  0.85035796
   1.05079880  0.50106571  0.57151605
   0.75158085  0.39981020  0.70454178
   0.78189429  0.06436551  0.93598595
   0.52671876  0.06687724  0.91955978
   0.56815560  0.54423689  0.03798075
   0.89328386  0.71178228  0.28195456
   0.55325395  0.80388795  0.04788518
   0.82218635  0.96893729  0.32743533
   0.94210588  0.92018048  0.14947486
   0.69393282  0.83955443  0.19331959
   0.82848793  0.62121800  0.45620994
   0.56949716  0.59677998  0.40350493
   0.64073271  0.58278541  0.58757664
   0.86333975  0.77497317  0.79944340
   0.62696006  0.84059713  0.45796714
   0.97537665  1.02530253  0.80062463
   1.00386909  0.84100242  0.66683472
   0.77421044  1.00332699  0.70521448
   0.76152134  0.68676495  0.96768760
   0.52013019  0.66165999  0.88368832
   0.77118055  0.81135268  0.60684739
   0.72110851  0.89712929  0.45096913
   0.91222581  0.22844127  0.07679578
   0.72392230  1.07631384  0.13760437
   0.42503113  0.09245640  0.62651922
   0.40041648  0.99486724  1.02174208
   0.38804335  0.89631581 -0.58246110
   0.35366672  1.04264411  0.04617633
   0.66647038  0.38346165  0.88021041
   0.63713027  0.65545012  0.63117080
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960512    0.216148   -0.109659
    -0.000000    9.952076    0.253848
    -0.000000    0.000000   14.228275
   Si   O    H 
    32    64    10
Direct configuration=  3184
   0.18144824  0.15996836  0.00157633
   0.35198567  0.11194976  0.37616905
   0.17436830  0.42142477  0.11433544
   0.42088441  0.33386699  0.25052573
   0.07169508  0.12346771  0.47531574
   0.40218218  0.11144778  0.84692068
   0.14972705  0.37329644  0.58617680
   0.36694846  0.37793526  0.74429241
   0.15807457  0.70540315  0.00850676
   0.42074914  0.58420702  0.36538996
   0.10139781  0.93767025  0.13954451
   0.33245362  0.85010879  0.25661269
   0.16634402  0.57029142  0.48263147
   0.36018338  0.63391119  0.84383836
   0.11107390  0.85315260  0.58058164
   0.39979854  0.95488788  0.66654977
   0.64473711  0.12113762  0.98460109
   0.83816183  0.14401678  0.33215382
   0.62888141  0.40315824  0.08672829
   0.89665909  0.32506494  0.14905182
   0.61667756  0.19488902  0.47887452
   0.92524235  0.11267131  0.88596429
   0.62178927  0.42211218  0.63659922
   0.80104619  0.40207505  0.81962434
   0.60000667  0.67725814 -0.01856286
   0.92205822  0.58388434  0.35776398
   0.56212652  0.88791474  0.14051289
   0.84559709  0.85776431  0.24280223
   0.67695569  0.66472196  0.46937347
   0.88067107  0.67222706  0.89039446
   0.68690916  0.93516806  0.62136540
   0.91323497  0.90743226  0.74325648
   0.14709863  0.09228860  0.10760355
   0.38017951  0.18226248  0.27941525
   0.20093930  0.31193707  0.02887739
   0.42477377  0.42742605  0.33874798
   0.54847835  0.33392100  0.17886129
   0.29633461  0.40008685  0.18504449
   0.20226574  0.11909164  0.40853806
  -0.04544996  0.18757599  0.40979338
   0.04762558 -0.01883189  0.51943507
   0.44447689  0.23693806  0.78459584
   0.09483839  0.22075220  0.56890791
   0.33391166  0.46599743  0.83373695
   0.47387355  0.44678133  0.67443601
   0.23711373  0.33910141  0.68328293
   0.28220006  0.14662749 -0.08726992
   0.04295582  0.11377931  0.96097598
   0.16693181  0.57475479  0.07828020
   0.39296797  0.70367280  0.28617834
   0.17342191  0.84489486  0.06183579
   0.36045969  0.94591084  0.36559143
   0.43354696  0.94750021  0.18970235
   0.17771193  0.88760599  0.23709619
   0.31787010  0.63430095  0.44141004
   0.07908948  0.56773669  0.38111981
   0.24876798  0.41744679  0.49995398
   0.33658472  0.69900708  0.73947954
   0.12385771  0.73301100  0.51593130
   0.38693715  0.98591808  0.78115724
   0.53940605  0.88277586  0.64529402
   0.25673355  0.89561510  0.62664583
   0.29316484  0.68469292 -0.05518510
   0.01582011  0.70658463  0.94582169
   0.62291951  0.04746036  0.10133427
   0.84992008  0.20894818  0.22513920
   0.64014688  0.27633892  0.01188795
   0.85508996  0.44830507  0.31525743
   0.03189372  0.41593502  0.16592702
   0.78536484  0.44576427  0.11440227
   0.69921588  0.18799790  0.38195210
   0.46706112  0.17060955  0.44136762
   0.65921305  0.05794600  0.53640035
   0.88888676  0.26544624  0.84248136
   0.63428928  0.33326806  0.54483395
   0.87717177  0.52150026  0.85102193
   1.05073594  0.50092079  0.57200727
   0.75120394  0.40200698  0.70490172
   0.78167227  0.06434753  0.93678979
   0.52657363  0.06610504  0.91935657
   0.56729941  0.54321618  0.03885355
   0.89257630  0.71362779  0.28138101
   0.55274495  0.80249602  0.04921232
   0.82107103  0.96908604  0.32724176
   0.94297563  0.92051910  0.14927595
   0.69419531  0.83972507  0.19481021
   0.82676441  0.61922799  0.45639783
   0.57039076  0.59748816  0.40409712
   0.64092262  0.58182143  0.58817396
   0.86431074  0.77579074  0.79792596
   0.62744855  0.84051033  0.45667045
   0.97411139  1.02617832  0.80100680
   1.00391161  0.84244372  0.66623202
   0.77539428  1.00321455  0.70584526
   0.76307076  0.68709938  0.96713024
   0.51912191  0.66276590  0.88270422
   0.76980033  0.81579771  0.60503853
   0.72284928  0.90221689  0.45086498
   0.91566996  0.23285731  0.07758386
   0.73646807  1.07913508  0.13800562
   0.41847628  0.09738626  0.62754231
   0.40943728  0.99098442  1.01618358
   0.39494269  0.88225514 -0.56935821
   0.35754350  1.04506007  0.04657399
   0.66921008  0.38440789  0.88360447
   0.63304758  0.65408571  0.63523512
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960922    0.215328   -0.109083
    -0.000000    9.947043    0.253828
    -0.000000    0.000000   14.227233
   Si   O    H 
    32    64    10
Direct configuration=  3185
   0.18188048  0.15951743  0.00180571
   0.35164828  0.11174673  0.37655431
   0.17551238  0.42322414  0.11502140
   0.42101098  0.33319673  0.24997401
   0.07116578  0.12361551  0.47525135
   0.40365934  0.11112333  0.84649921
   0.14842864  0.37344491  0.58637501
   0.36875597  0.37649501  0.74464965
   0.15839743  0.70495922  0.00894232
   0.42054134  0.58359976  0.36587301
   0.10177850  0.93850544  0.14014827
   0.33380935  0.85054903  0.25722726
   0.16471814  0.57121185  0.48302086
   0.36256055  0.63523790  0.84470668
   0.11045760  0.85325872  0.58111635
   0.39868292  0.95405464  0.66703819
   0.64427158  0.12170365  0.98428383
   0.83812614  0.14528561  0.33205091
   0.62826257  0.40339266  0.08654792
   0.89792326  0.32447132  0.14910553
   0.61681951  0.19448549  0.47917145
   0.92347723  0.11103086  0.88654916
   0.62124934  0.42181213  0.63688450
   0.79962817  0.40115211  0.82025500
   0.59957427  0.67817910 -0.01757390
   0.92171762  0.58574100  0.35810614
   0.56126181  0.88738206  0.14103027
   0.84571889  0.85754313  0.24342044
   0.67637530  0.66424590  0.46943669
   0.88098002  0.67248830  0.89191310
   0.68756454  0.93566161  0.62130307
   0.91356631  0.90769227  0.74260528
   0.14902083  0.09042485  0.10786327
   0.37906249  0.18135994  0.27887288
   0.20017871  0.31351601  0.02890619
   0.42262631  0.42613069  0.33795295
   0.54888557  0.33397190  0.17996331
   0.29541053  0.39942583  0.18609520
   0.20200400  0.11903216  0.40896867
  -0.04459531  0.18992451  0.40840917
   0.04809802 -0.01883048  0.51988101
   0.44407002  0.23663776  0.78352716
   0.09583551  0.21884157  0.56823717
   0.33473560  0.46613938  0.83463084
   0.47096965  0.44677919  0.67400919
   0.23624983  0.34021389  0.68324268
   0.28100052  0.14654466 -0.08710379
   0.04184126  0.11420283  0.96018968
   0.16659133  0.57362981  0.07844948
   0.39188025  0.70369682  0.28532914
   0.17374483  0.84655618  0.06246855
   0.36232434  0.94427884  0.36489261
   0.43537725  0.94794271  0.18986685
   0.17750714  0.88667473  0.23699305
   0.31672216  0.63494999  0.44216955
   0.08026157  0.56731552  0.38007247
   0.24766626  0.41841037  0.49992037
   0.33748799  0.69827637  0.73867601
   0.12213429  0.73235799  0.51582630
   0.38641719  0.98553965  0.78140939
   0.53988119  0.88396123  0.64442127
   0.25553742  0.89635336  0.62656366
   0.28956640  0.68469312 -0.05549039
   0.01445783  0.70755869  0.94639493
   0.62253762  0.04711801  0.10267949
   0.84905118  0.20814000  0.22641914
   0.64010084  0.27684121  0.00995907
   0.85513402  0.44886962  0.31478819
   0.03354763  0.41683482  0.16595692
   0.78558880  0.44445833  0.11517130
   0.69897584  0.18767323  0.38196259
   0.46887257  0.16959259  0.44108481
   0.66009649  0.05774004  0.53529549
   0.88935272  0.26509678  0.84289432
   0.63400514  0.33300161  0.54536672
   0.87929757  0.52095086  0.85197883
   1.05081292  0.50111773  0.57286305
   0.75048913  0.40515446  0.70566382
   0.78229447  0.06394762  0.93723607
   0.52669812  0.06555545  0.91943881
   0.56684039  0.54227668  0.03978491
   0.89129225  0.71543712  0.28097004
   0.55220563  0.80171620  0.05076271
   0.82139308  0.96934880  0.32663265
   0.94313074  0.91972633  0.14926719
   0.69487140  0.84028148  0.19639960
   0.82505894  0.61798324  0.45639798
   0.57086509  0.59814880  0.40447904
   0.64107233  0.58146034  0.58881516
   0.86482961  0.77691611  0.79712879
   0.62926345  0.83995184  0.45555626
   0.97331246  1.02692268  0.80073608
   1.00342770  0.84372714  0.66544760
   0.77671954  1.00147473  0.70628597
   0.76393775  0.68741691  0.96744213
   0.51850287  0.66331070  0.88196735
   0.76724921  0.81957674  0.60275336
   0.71151238  0.89858001  0.44782783
   0.92082926  0.23665941  0.07361809
   0.73385433  1.07641479  0.13630944
   0.40921078  0.10257778  0.62818750
   0.41320568  0.98625792  1.01555970
   0.39850314  0.87615761 -0.56415352
   0.35945044  1.04249013  0.04819891
   0.67854519  0.38390930  0.88122757
   0.63117513  0.64951579  0.63795454
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961165    0.214388   -0.109078
    -0.000000    9.941604    0.254463
    -0.000000    0.000000   14.226104
   Si   O    H 
    32    64    10
Direct configuration=  3186
   0.18257666  0.15847562  0.00189229
   0.35167859  0.11181142  0.37699115
   0.17568389  0.42450108  0.11559308
   0.42098592  0.33275604  0.24923312
   0.07111877  0.12396433  0.47521429
   0.40479681  0.11086720  0.84613604
   0.14727314  0.37348288  0.58636818
   0.37037611  0.37528210  0.74489560
   0.15884952  0.70416900  0.00906550
   0.42013513  0.58396578  0.36685577
   0.10234094  0.93923514  0.14068310
   0.33491324  0.85110063  0.25806145
   0.16236753  0.57195614  0.48321365
   0.36498060  0.63713119  0.84526405
   0.10994981  0.85387017  0.58160439
   0.39695810  0.95339260  0.66780346
   0.64427282  0.12173074  0.98381517
   0.83869947  0.14606649  0.33243923
   0.62790669  0.40397702  0.08665170
   0.89986843  0.32369994  0.14984639
   0.61712589  0.19402436  0.47939198
   0.92211025  0.10995532  0.88717848
   0.62082968  0.42136583  0.63692678
   0.79817525  0.39943693  0.82109646
   0.59966156  0.67882502 -0.01659043
   0.92110081  0.58697702  0.35791364
   0.55990532  0.88675766  0.14128270
   0.84563780  0.85779587  0.24397738
   0.67566061  0.66445763  0.46963677
   0.88090022  0.67195600  0.89325700
   0.68795231  0.93652415  0.62153403
   0.91385337  0.90860238  0.74193427
   0.15129024  0.08781562  0.10790431
   0.37811672  0.18073353  0.27798803
   0.19957904  0.31466202  0.02902653
   0.42031147  0.42600371  0.33760156
   0.54972109  0.33471128  0.18102494
   0.29468839  0.39901352  0.18696648
   0.20121823  0.11915697  0.40928419
  -0.04388485  0.19278133  0.40688177
   0.04766260 -0.01898902  0.52081889
   0.44324082  0.23623905  0.78194989
   0.09620262  0.21659468  0.56690738
   0.33565562  0.46688238  0.83552969
   0.46775243  0.44643988  0.67359717
   0.23565243  0.34158226  0.68358682
   0.28074175  0.14644915 -0.08705485
   0.04049348  0.11498658  0.95943159
   0.16672752  0.57339955  0.07783211
   0.39136064  0.70351228  0.28407397
   0.17515719  0.84755602  0.06346019
   0.36451681  0.94108228  0.36434034
   0.43633562  0.94864794  0.19053320
   0.17771793  0.88608243  0.23695878
   0.31495489  0.63592575  0.44292159
   0.08162820  0.56604320  0.37917476
   0.24626392  0.41894751  0.49966809
   0.33890196  0.69774444  0.73868080
   0.12161024  0.73148530  0.51542260
   0.38600964  0.98510326  0.78167452
   0.54053160  0.88516403  0.64401462
   0.25487695  0.89742275  0.62649830
   0.28633661  0.68476822 -0.05552170
   0.01341878  0.70844049  0.94749568
   0.62248343  0.04709736  0.10332940
   0.84817274  0.20699471  0.22687810
   0.63905422  0.27705933  0.00776301
   0.85551368  0.44918494  0.31422899
   0.03464429  0.41719991  0.16619156
   0.78556511  0.44326164  0.11519983
   0.69834279  0.18725774  0.38214253
   0.47060634  0.16992421  0.44090052
   0.66091898  0.05719044  0.53479789
   0.88880640  0.26423095  0.84277986
   0.63393234  0.33178859  0.54538373
   0.88145415  0.52090193  0.85284527
   1.05126342  0.50116023  0.57340791
   0.75041699  0.40851844  0.70646919
   0.78197057  0.06376291  0.93756580
   0.52714455  0.06457001  0.91992741
   0.56654475  0.54061720  0.04029425
   0.89083873  0.71662728  0.28007264
   0.55156269  0.80131705  0.05224254
   0.82293437  0.97003414  0.32590647
   0.94279202  0.91835904  0.14993979
   0.69595713  0.84046544  0.19783810
   0.82430142  0.61664636  0.45614914
   0.57205743  0.59819045  0.40472979
   0.64066285  0.58133127  0.58926203
   0.86423569  0.77848241  0.79659194
   0.63162440  0.83913704  0.45449344
   0.97283668  1.02813291  0.79993934
   1.00313096  0.84495233  0.66500696
   0.77790712  0.99996826  0.70701164
   0.76409082  0.68723149  0.96708992
   0.51766674  0.66464423  0.88086122
   0.76670325  0.82150230  0.59873233
   0.69493866  0.89400068  0.44492999
   0.92009226  0.23970891  0.06579813
   0.71703687  1.07350685  0.13079546
   0.39919144  0.10231100  0.63065294
   0.41139003  0.98482211  1.02120067
   0.39841779  0.87745010 -0.56644078
   0.36590268  1.03427630  0.04689997
   0.68449288  0.38439654  0.87731667
   0.62869547  0.64549780  0.63997387
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961365    0.213773   -0.108654
    -0.000000    9.935896    0.255409
    -0.000000    0.000000   14.225148
   Si   O    H 
    32    64    10
Direct configuration=  3187
   0.18281637  0.15721646  0.00243096
   0.35174575  0.11210999  0.37746559
   0.17580625  0.42542752  0.11609277
   0.42101345  0.33261045  0.24849260
   0.07113656  0.12433246  0.47503390
   0.40537935  0.10990683  0.84614271
   0.14702356  0.37346380  0.58644073
   0.37125634  0.37489706  0.74477855
   0.15876388  0.70392886  0.00917369
   0.41955142  0.58435384  0.36811566
   0.10303308  0.93990176  0.14114789
   0.33555490  0.85246863  0.25911394
   0.16032533  0.57249605  0.48361994
   0.36653641  0.63911386  0.84544371
   0.11017262  0.85457285  0.58207452
   0.39537747  0.95277526  0.66859160
   0.64374999  0.12144766  0.98363966
   0.83900889  0.14699532  0.33281101
   0.62751873  0.40464737  0.08679906
   0.90149457  0.32325959  0.15070013
   0.61776525  0.19371386  0.47939145
   0.92086817  0.10927987  0.88754102
   0.61979945  0.42110223  0.63727284
   0.79664667  0.39709658  0.82161691
   0.59918029  0.67941132 -0.01575110
   0.92035984  0.58841911  0.35768117
   0.55952953  0.88638458  0.14129701
   0.84570047  0.85887694  0.24426163
   0.67517589  0.66517450  0.46972852
   0.88109610  0.67136305  0.89415333
   0.68886075  0.93807476  0.62164098
   0.91479354  0.90899271  0.74129943
   0.15422154  0.08505407  0.10843021
   0.37775578  0.18023620  0.27704481
   0.19915075  0.31561276  0.02955599
   0.41818411  0.42697249  0.33766556
   0.55160886  0.33580363  0.18158691
   0.29466725  0.39845101  0.18726651
   0.20060168  0.11942432  0.40991908
  -0.04301001  0.19568819  0.40514578
   0.04636940 -0.01952236  0.52110706
   0.44191149  0.23518979  0.78038188
   0.09672025  0.21522533  0.56496631
   0.33647397  0.46801723  0.83658788
   0.46510801  0.44711795  0.67290684
   0.23499130  0.34336000  0.68410871
   0.28078539  0.14686688 -0.08726838
   0.03930504  0.11559774  0.95898340
   0.16709239  0.57393137  0.07744204
   0.39068860  0.70316156  0.28268342
   0.17609894  0.84804953  0.06427738
   0.36621124  0.93744665  0.36421530
   0.43688800  0.94857787  0.19128137
   0.17743290  0.88482279  0.23742205
   0.31333448  0.63628198  0.44343552
   0.08363064  0.56485308  0.37862302
   0.24497522  0.41953102  0.49973798
   0.33991640  0.69666521  0.73880716
   0.12028408  0.73149108  0.51471046
   0.38598470  0.98382007  0.78199707
   0.54162486  0.88583784  0.64304989
   0.25387608  0.89841628  0.62614921
   0.28372881  0.68490915 -0.05586277
   0.01304787  0.70920817  0.94915258
   0.62273957  0.04784191  0.10410029
   0.84705536  0.20599627  0.22700136
   0.63826441  0.27740617  0.00576052
   0.85606705  0.44910471  0.31382286
   0.03537285  0.41613382  0.16639449
   0.78563997  0.44163490  0.11545253
   0.69872954  0.18750097  0.38186586
   0.47193474  0.16972926  0.44104988
   0.66191259  0.05564377  0.53511490
   0.88809737  0.26364975  0.84292643
   0.63437131  0.33007330  0.54485160
   0.88392600  0.52169832  0.85400908
   1.05183831  0.50097916  0.57391975
   0.75071381  0.41188135  0.70737235
   0.78122690  0.06397019  0.93790395
   0.52782885  0.06360518  0.92005068
   0.56614403  0.53884103  0.04065484
   0.89130979  0.71681145  0.27936245
   0.55107835  0.80038389  0.05333911
   0.82536410  0.97115350  0.32497616
   0.94291196  0.91751291  0.15160296
   0.69750117  0.84041611  0.19900933
   0.82391152  0.61535679  0.45619586
   0.57334604  0.59747707  0.40486484
   0.64010807  0.58152278  0.58931308
   0.86310018  0.77959494  0.79658647
   0.63173681  0.83769517  0.45434443
   0.97188189  1.02969041  0.79908394
   1.00300764  0.84587358  0.66450499
   0.77787484  0.99733787  0.70792366
   0.76372785  0.68743778  0.96666383
   0.51735401  0.66588676  0.88017309
   0.76791222  0.82125105  0.59564223
   0.70173811  0.90933890  0.43875346
   0.91737697  0.23928632  0.05925147
   0.69096629  1.06871620  0.12654307
   0.38630223  0.09802368  0.63150661
   0.40895574  0.98357946  1.02367229
   0.39416391  0.88460653 -0.57430531
   0.36622440  1.02938544  0.04688062
   0.68314550  0.38528197  0.87425919
   0.62557065  0.64252315  0.63531917
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961200    0.213078   -0.108049
    -0.000000    9.929485    0.256086
    -0.000000    0.000000   14.224588
   Si   O    H 
    32    64    10
Direct configuration=  3188
   0.18332212  0.15589571  0.00350132
   0.35208644  0.11253094  0.37770583
   0.17593490  0.42604648  0.11647706
   0.42052914  0.33278142  0.24771552
   0.07213680  0.12552446  0.47503669
   0.40623580  0.10866272  0.84602776
   0.14627726  0.37327976  0.58645206
   0.37168044  0.37498580  0.74485838
   0.15830447  0.70369842  0.00901078
   0.41881632  0.58417998  0.36933373
   0.10345623  0.93968589  0.14154808
   0.33646172  0.85386370  0.26012357
   0.15830040  0.57329229  0.48382621
   0.36766377  0.64098674  0.84526500
   0.11020129  0.85492568  0.58262549
   0.39348750  0.95245627  0.66937098
   0.64329482  0.12141347  0.98333215
   0.83875760  0.14785360  0.33326439
   0.62729997  0.40491344  0.08771064
   0.90327817  0.32341103  0.15171538
   0.61876356  0.19384372  0.47949464
   0.91993779  0.10905827  0.88732756
   0.61877930  0.42111879  0.63721638
   0.79556447  0.39455496  0.82197376
   0.59922832  0.68007679 -0.01493369
   0.91921890  0.58856230  0.35720459
   0.56005408  0.88706720  0.14104600
   0.84572570  0.86036026  0.24438431
   0.67423630  0.66554515  0.47001636
   0.88161817  0.67080272  0.89552139
   0.68964105  0.94017142  0.62163989
   0.91593080  0.90877216  0.74038575
   0.15727709  0.08295636  0.10913237
   0.37696711  0.17910932  0.27629990
   0.19849517  0.31681037  0.02987010
   0.41701636  0.42793352  0.33787259
   0.55290798  0.33682961  0.18172555
   0.29512819  0.39767323  0.18771255
   0.20029190  0.11933986  0.41099124
  -0.04224574  0.19804604  0.40376440
   0.04559351 -0.01996543  0.52112730
   0.44124913  0.23366272  0.77918446
   0.09818212  0.21495761  0.56327703
   0.33827464  0.46878241  0.83726395
   0.46293619  0.44725397  0.67154303
   0.23453739  0.34505102  0.68454267
   0.28126105  0.14694012 -0.08728606
   0.03858485  0.11620374  0.95828830
   0.16739540  0.57499617  0.07669022
   0.39031711  0.70248833  0.28190638
   0.17675935  0.84710086  0.06440108
   0.36776035  0.93408379  0.36380356
   0.43756644  0.94843017  0.19254369
   0.17745874  0.88310601  0.23787309
   0.31153167  0.63647165  0.44406206
   0.08549856  0.56455460  0.37797094
   0.24441939  0.42054861  0.49958168
   0.34104584  0.69553329  0.73968572
   0.11830371  0.73167897  0.51420831
   0.38498755  0.98272383  0.78250209
   0.54206146  0.88614238  0.64206560
   0.25350641  0.89889777  0.62523753
   0.28215275  0.68519974 -0.05636962
   0.01318551  0.70974374  0.95024516
   0.61791905  0.04754679  0.10304141
   0.84633891  0.20463086  0.22730363
   0.63704584  0.27834129  0.00427538
   0.85645592  0.44937959  0.31354272
   0.03549696  0.41433441  0.16645198
   0.78628453  0.43890864  0.11599128
   0.69923792  0.18816474  0.38175792
   0.47210222  0.16836555  0.44156293
   0.66272736  0.05339538  0.53522982
   0.88648330  0.26265796  0.84328607
   0.63457397  0.32864612  0.54434275
   0.88695160  0.52201663  0.85494837
   1.05259797  0.50065551  0.57469074
   0.75062266  0.41515198  0.70910594
   0.77992898  0.06397646  0.93832345
   0.52902994  0.06256293  0.92016916
   0.56522742  0.53771061  0.04048088
   0.89151963  0.71722800  0.27903503
   0.55000271  0.79976615  0.05399876
   0.82757302  0.97204522  0.32408922
   0.94303761  0.91639253  0.15338055
   0.69844456  0.84072777  0.19983200
   0.82341700  0.61461164  0.45612862
   0.57429769  0.59692572  0.40437305
   0.63973385  0.58171151  0.58876622
   0.86199103  0.77922925  0.79731565
   0.63202221  0.83541245  0.45385027
   0.97187956  1.03137244  0.79787058
   1.00359007  0.84644521  0.66400177
   0.77737312  0.99518117  0.70817508
   0.76292419  0.68701125  0.96619315
   0.51779790  0.66774022  0.87964464
   0.77105245  0.82387189  0.59223450
   0.70445925  0.91676970  0.43418250
   0.91363950  0.24090012  0.05600238
   0.72980583  1.08387864  0.14669008
   0.37512827  0.09153921  0.63060528
   0.40962433  0.98044885  1.02150298
   0.39127444  0.89219218 -0.58661481
   0.36380933  1.02905802  0.04724347
   0.67561521  0.38775058  0.87527642
   0.61755588  0.64992184  0.63609835
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960926    0.212496   -0.107658
    -0.000000    9.922675    0.257114
    -0.000000    0.000000   14.224162
   Si   O    H 
    32    64    10
Direct configuration=  3189
   0.18338655  0.15497367  0.00460036
   0.35261698  0.11321666  0.37775989
   0.17578073  0.42668738  0.11658731
   0.42042280  0.33288598  0.24693810
   0.07326788  0.12605683  0.47525216
   0.40685172  0.10734676  0.84625987
   0.14561184  0.37302205  0.58640343
   0.37177042  0.37480542  0.74504723
   0.15720563  0.70388731  0.00914121
   0.41823242  0.58424204  0.36995694
   0.10363905  0.93940649  0.14189550
   0.33701066  0.85544202  0.26107892
   0.15682924  0.57392017  0.48416457
   0.36795578  0.64269279  0.84487847
   0.11027658  0.85548484  0.58321840
   0.39163947  0.95195622  0.67014143
   0.64321937  0.12135320  0.98313281
   0.83842904  0.14842243  0.33356696
   0.62749680  0.40446791  0.08844541
   0.90432605  0.32362415  0.15280299
   0.61965832  0.19414678  0.47989480
   0.91921738  0.10900825  0.88721932
   0.61796369  0.42091508  0.63727774
   0.79468332  0.39159270  0.82216221
   0.59885680  0.68026280 -0.01421062
   0.91761516  0.58818120  0.35641490
   0.56204498  0.88821301  0.14088850
   0.84594949  0.86153205  0.24464528
   0.67381352  0.66625461  0.47021352
   0.88327129  0.67025231  0.89626719
   0.69003617  0.94175962  0.62153994
   0.91687732  0.90810980  0.73972338
   0.16028904  0.08151749  0.10973741
   0.37573149  0.17784844  0.27540641
   0.19779803  0.31721548  0.02991951
   0.41586770  0.42840799  0.33829225
   0.55435663  0.33862656  0.18190168
   0.29604749  0.39642866  0.18844765
   0.20020585  0.11901483  0.41114177
  -0.04052598  0.19976766  0.40263319
   0.04417218 -0.02115481  0.52061260
   0.44008844  0.23298479  0.77823608
   0.09924001  0.21466425  0.56220451
   0.34065486  0.47022650  0.83746689
   0.46223942  0.44772539  0.67028007
   0.23433700  0.34680077  0.68528575
   0.28189823  0.14714258 -0.08703470
   0.03783663  0.11701904  0.95793659
   0.16812758  0.57597526  0.07588207
   0.39056301  0.70104839  0.28136790
   0.17736299  0.84659255  0.06425701
   0.36710382  0.93295688  0.36127605
   0.43738927  0.94710882  0.19350992
   0.17823785  0.88234011  0.23886581
   0.30970215  0.63699968  0.44473936
   0.08677083  0.56347991  0.37687452
   0.24444166  0.41979623  0.49915562
   0.34239095  0.69485978  0.74070991
   0.11680504  0.73165338  0.51312397
   0.38469790  0.98163406  0.78289328
   0.54195460  0.88682254  0.64189587
   0.25309538  0.89911336  0.62447579
   0.28089312  0.68619483 -0.05753566
   0.01351003  0.71020724  0.95175474
   0.61401739  0.04820158  0.10226327
   0.84542422  0.20404466  0.22704678
   0.63654135  0.27929591  0.00300694
   0.85711287  0.44953390  0.31306598
   0.03506391  0.41182690  0.16702257
   0.78612096  0.43613273  0.11680039
   0.70007323  0.18897349  0.38207993
   0.47088885  0.16747378  0.44199386
   0.66384119  0.05093795  0.53508155
   0.88488845  0.26146911  0.84412772
   0.63430767  0.32743886  0.54424867
   0.88924336  0.52191448  0.85578250
   1.05334510  0.49975894  0.57570508
   0.75013879  0.41769691  0.71038088
   0.77879815  0.06410952  0.93919902
   0.52983502  0.06215915  0.91984516
   0.56397639  0.53721092  0.04061529
   0.89168539  0.71630709  0.27901991
   0.54799201  0.79858462  0.05398898
   0.83062527  0.97319305  0.32361211
   0.94310352  0.91505270  0.15543536
   0.69815408  0.84096171  0.20043286
   0.82264534  0.61445718  0.45601152
   0.57439603  0.59611059  0.40356065
   0.63940235  0.58232376  0.58821345
   0.86145983  0.77833656  0.79799919
   0.63265599  0.83357245  0.45247333
   0.97145614  1.03252528  0.79688744
   1.00412811  0.84746417  0.66292164
   0.77692297  0.99407243  0.70887825
   0.76056290  0.68678788  0.96590064
   0.51897528  0.66890148  0.87994033
   0.77634321  0.82209054  0.58631300
   0.69396114  0.90647996  0.43456318
   0.90713051  0.24443676  0.05963365
   0.75298404  1.09534380  0.16031896
   0.36724136  0.08341509  0.62867600
   0.40911855  0.97753466  1.01873307
   0.40200158  0.87086322 -0.56733866
   0.35847749  1.03148461  0.04875748
   0.66411399  0.38953370  0.87935697
   0.61057029  0.65209757  0.63449918
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960583    0.211670   -0.107402
    -0.000000    9.915496    0.257935
    -0.000000    0.000000   14.223552
   Si   O    H 
    32    64    10
Direct configuration=  3190
   0.18247799  0.15420456  0.00518471
   0.35252374  0.11430517  0.37780868
   0.17528799  0.42740964  0.11664512
   0.42018128  0.33269950  0.24662594
   0.07391070  0.12651285  0.47525897
   0.40720081  0.10599407  0.84697475
   0.14563802  0.37162257  0.58645582
   0.37186033  0.37426609  0.74507970
   0.15578877  0.70378659  0.00914006
   0.41822123  0.58470357  0.37033039
   0.10420296  0.93894640  0.14215391
   0.33749414  0.85642706  0.26189523
   0.15556783  0.57467465  0.48455948
   0.36822877  0.64386313  0.84488252
   0.11072815  0.85600383  0.58363407
   0.38997165  0.95161771  0.67111281
   0.64379868  0.12079286  0.98323898
   0.83834747  0.14865544  0.33401102
   0.62798622  0.40432802  0.08887785
   0.90452043  0.32369156  0.15366953
   0.61985345  0.19453424  0.48039198
   0.91834168  0.10965843  0.88687732
   0.61739334  0.42089628  0.63733801
   0.79383572  0.38974157  0.82274877
   0.59825690  0.68024545 -0.01351468
   0.91631356  0.58754189  0.35548207
   0.56515028  0.88922885  0.14065144
   0.84568586  0.86228872  0.24454742
   0.67378595  0.66753136  0.47049232
   0.88520519  0.66988962  0.89662652
   0.69078249  0.94294573  0.62124215
   0.91683972  0.90728201  0.73929117
   0.16269195  0.08083666  0.11033465
   0.37482880  0.17670359  0.27397669
   0.19656408  0.31667637  0.02950794
   0.41461528  0.42762465  0.33818550
   0.55561847  0.34087805  0.18229797
   0.29669104  0.39467555  0.18891591
   0.20066678  0.11822977  0.41066063
  -0.03939383  0.20022554  0.40177953
   0.04237269 -0.02282999  0.52002938
   0.43864144  0.23199583  0.77733469
   0.10008866  0.21470135  0.56101716
   0.34246956  0.47141726  0.83791789
   0.46276181  0.44827459  0.66885091
   0.23337614  0.34842465  0.68550468
   0.28166381  0.14764664 -0.08636938
   0.03732965  0.11785778  0.95816460
   0.16842443  0.57708664  0.07547302
   0.39145969  0.70017185  0.28106256
   0.17780594  0.84573060  0.06378505
   0.36636207  0.93169137  0.36026246
   0.43760287  0.94531402  0.19438287
   0.17939025  0.88155736  0.23974634
   0.30788148  0.63738034  0.44479869
   0.08736096  0.56307361  0.37586132
   0.24413137  0.41966670  0.49875183
   0.34411503  0.69404573  0.74130011
   0.11529505  0.73118133  0.51249666
   0.38402677  0.98040644  0.78367031
   0.54172072  0.88760316  0.64157031
   0.25289126  0.89864687  0.62416228
   0.28030146  0.68744887 -0.05856862
   0.01488107  0.71053358  0.95351710
   0.61117422  0.04903580  0.10123876
   0.84372974  0.20319835  0.22708582
   0.63607036  0.27978221  0.00260843
   0.85797309  0.45010536  0.31243538
   0.03405581  0.40893814  0.16767671
   0.78585243  0.43217919  0.11754456
   0.70020929  0.18988367  0.38262986
   0.46885794  0.16660395  0.44245012
   0.66454211  0.04915256  0.53560273
   0.88349508  0.25992961  0.84466034
   0.63438818  0.32621053  0.54422170
   0.89123305  0.52139496  0.85649936
   1.05265910  0.49960208  0.57666253
   0.74938336  0.41991674  0.71143999
   0.77794584  0.06512950  0.94014675
   0.53042195  0.06175042  0.91971115
   0.56253868  0.53638502  0.04059797
   0.89244233  0.71492651  0.27908736
   0.54678615  0.79737877  0.05391953
   0.83328360  0.97498283  0.32320480
   0.94362700  0.91438214  0.15748381
   0.69766522  0.84101211  0.20056537
   0.82188845  0.61378735  0.45586729
   0.57408491  0.59510027  0.40331121
   0.63899825  0.58309693  0.58840748
   0.86105918  0.77692088  0.79889221
   0.63246934  0.83153894  0.45189741
   0.97162733  1.03363741  0.79584416
   1.00526941  0.84788371  0.66149224
   0.77660829  0.99306436  0.70874176
   0.75785659  0.68636006  0.96562893
   0.52076396  0.66993197  0.88063753
   0.77886721  0.82559406  0.58340800
   0.68543130  0.89186865  0.43419097
   0.90218561  0.24908772  0.06646154
   0.76798214  1.10885800  0.17068610
   0.36357574  0.08219427  0.62429414
   0.40345249  0.97936243  1.01903152
   0.40843058  0.86065439 -0.55620483
   0.35861185  1.02929881  0.04566688
   0.65683925  0.39346554  0.87757031
   0.60325793  0.64890789  0.63051998
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960785    0.211010   -0.106737
    -0.000000    9.908281    0.259106
    -0.000000    0.000000   14.223015
   Si   O    H 
    32    64    10
Direct configuration=  3191
   0.18171930  0.15372044  0.00582441
   0.35234780  0.11451557  0.37814465
   0.17522388  0.42719049  0.11667419
   0.41958888  0.33261021  0.24639579
   0.07343698  0.12671483  0.47514882
   0.40729537  0.10484676  0.84726456
   0.14610013  0.36972016  0.58646216
   0.37166402  0.37432230  0.74499725
   0.15511200  0.70391696  0.00906222
   0.41826928  0.58551273  0.37011932
   0.10480295  0.93807318  0.14251118
   0.33752075  0.85704389  0.26271333
   0.15449662  0.57505639  0.48455144
   0.36812455  0.64500398  0.84546505
   0.11086834  0.85574416  0.58380812
   0.38850393  0.95082978  0.67213781
   0.64453424  0.11973533  0.98392013
   0.83856824  0.14883959  0.33482972
   0.62908426  0.40429905  0.08923323
   0.90428570  0.32400944  0.15480843
   0.62046436  0.19535846  0.48078795
   0.91754630  0.11042382  0.88643353
   0.61725271  0.42079783  0.63687327
   0.79257232  0.38777552  0.82328517
   0.59765371  0.68004686 -0.01320315
   0.91544496  0.58692182  0.35419246
   0.56839855  0.89035024  0.14061181
   0.84529639  0.86283447  0.24430397
   0.67330748  0.66867129  0.47060956
   0.88612198  0.67045247  0.89646716
   0.69133373  0.94383339  0.62089797
   0.91656075  0.90617479  0.73915490
   0.16504418  0.08046007  0.11114693
   0.37465724  0.17585903  0.27250643
   0.19642572  0.31612664  0.02922796
   0.41277058  0.42682851  0.33789346
   0.55670984  0.34225454  0.18266787
   0.29636124  0.39373581  0.18925402
   0.20206276  0.11774993  0.41031125
  -0.03862360  0.20061590  0.40056326
   0.04048118 -0.02382772  0.51927812
   0.43897860  0.23076645  0.77694707
   0.10099982  0.21616388  0.55994904
   0.34319672  0.47283303  0.83876391
   0.46380918  0.44889347  0.66728939
   0.23195565  0.34994989  0.68516353
   0.28160685  0.14835666 -0.08580549
   0.03702000  0.11850516  0.95910046
   0.16972945  0.57796549  0.07565533
   0.39220495  0.69947793  0.28042179
   0.17845052  0.84396989  0.06351413
   0.36596028  0.93037795  0.36061029
   0.43748592  0.94341172  0.19503724
   0.17958046  0.88148276  0.24000506
   0.30746284  0.63769051  0.44506186
   0.08719067  0.56285018  0.37447360
   0.24393321  0.41862858  0.49865281
   0.34544187  0.69294416  0.74170641
   0.11374212  0.73144710  0.51190812
   0.38328291  0.97905105  0.78403151
   0.53962543  0.88838883  0.64149450
   0.25247001  0.89760661  0.62371624
   0.27924281  0.68883873 -0.05914138
   0.01639217  0.71100169  0.95532725
   0.60990617  0.04894286  0.10047659
   0.84197849  0.20211343  0.22668604
   0.63613331  0.28043963  0.00251541
   0.85896551  0.45089818  0.31170628
   0.03390493  0.40663738  0.16872403
   0.78520583  0.42919588  0.11859107
   0.70120629  0.19007634  0.38285076
   0.46754144  0.16551618  0.44322090
   0.66502638  0.04839620  0.53587544
   0.88256885  0.25862539  0.84502432
   0.63454213  0.32497280  0.54413042
   0.89149566  0.52051009  0.85712195
   1.05185000  0.49951550  0.57674247
   0.74751171  0.42097801  0.71181287
   0.77820656  0.06635890  0.94083476
   0.53004309  0.06164722  0.91931753
   0.56024991  0.53528388  0.04091172
   0.89334692  0.71325177  0.27944078
   0.54591455  0.79556202  0.05386786
   0.83614671  0.97691006  0.32222277
   0.94462450  0.91369650  0.15975317
   0.69673276  0.84057364  0.20087842
   0.82305589  0.61303056  0.45536153
   0.57319223  0.59367373  0.40321402
   0.63899614  0.58384378  0.58823267
   0.86079146  0.77559750  0.79979903
   0.62967497  0.82746746  0.45203138
   0.97264789  1.03412830  0.79508025
   1.00683638  0.84804310  0.66007086
   0.77655048  0.99205193  0.70871955
   0.75570883  0.68628678  0.96584543
   0.52345673  0.67123093  0.88091867
   0.78405982  0.83298354  0.58354846
   0.70553982  0.90331309  0.42461454
   0.90011841  0.24980404  0.07298753
   0.77974511  1.12562340  0.17814056
   0.36307822  0.08613071  0.62084960
   0.39843180  0.98413119  1.01972377
   0.40717353  0.85492800 -0.55563584
   0.36017988  1.02444553  0.04512239
   0.65441740  0.39801590  0.87434551
   0.59640559  0.64757766  0.62875386
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961447    0.210310   -0.106652
    -0.000000    9.900738    0.260568
    -0.000000    0.000000   14.222490
   Si   O    H 
    32    64    10
Direct configuration=  3192
   0.18099199  0.15323632  0.00646316
   0.35194869  0.11424665  0.37847342
   0.17497105  0.42627471  0.11667381
   0.41926356  0.33263305  0.24632972
   0.07257639  0.12696733  0.47479477
   0.40733958  0.10368836  0.84773152
   0.14672237  0.36780896  0.58655400
   0.37079232  0.37519976  0.74518736
   0.15467088  0.70445695  0.00939049
   0.41828351  0.58668576  0.36991911
   0.10510706  0.93654955  0.14313023
   0.33729542  0.85733482  0.26370382
   0.15368442  0.57525015  0.48437092
   0.36813484  0.64570644  0.84619170
   0.11087762  0.85534824  0.58361742
   0.38663514  0.95035783  0.67345314
   0.64486891  0.11837300  0.98548798
   0.83919602  0.14896525  0.33598558
   0.62968167  0.40383954  0.08926299
   0.90404357  0.32488598  0.15555449
   0.62102511  0.19637095  0.48101201
   0.91646552  0.11073041  0.88596312
   0.61752933  0.42065487  0.63633955
   0.79077843  0.38717077  0.82371190
   0.59728530  0.67935614 -0.01295986
   0.91453495  0.58635580  0.35336675
   0.57157187  0.89178828  0.14020382
   0.84470872  0.86295675  0.24412885
   0.67273405  0.66999331  0.47046254
   0.88727127  0.67122000  0.89627384
   0.69214401  0.94417705  0.62022105
   0.91644839  0.90546675  0.73932003
   0.16758769  0.08051572  0.11173043
   0.37516327  0.17503355  0.27144853
   0.19674554  0.31618559  0.02875745
   0.41158078  0.42613950  0.33794559
   0.55726126  0.34321297  0.18341818
   0.29542150  0.39360328  0.18964057
   0.20330070  0.11650068  0.40995326
  -0.03715840  0.19998974  0.39977681
   0.03865370 -0.02399949  0.51805616
   0.43902865  0.22883673  0.77640350
   0.10232870  0.21780508  0.55944177
   0.34464745  0.47379218  0.83959693
   0.46536987  0.44934245  0.66583831
   0.23010074  0.35213060  0.68507801
   0.28152384  0.14935525 -0.08566888
   0.03720588  0.11875691  0.96066493
   0.17140714  0.57789569  0.07677071
   0.39287655  0.69898949  0.27973624
   0.17853060  0.84180269  0.06322786
   0.36526821  0.92986503  0.36216050
   0.43776975  0.94110760  0.19524773
   0.17957810  0.88139963  0.24013099
   0.30772948  0.63768363  0.44589018
   0.08640039  0.56360664  0.37349052
   0.24390840  0.41720203  0.49898205
   0.34679829  0.69237105  0.74264389
   0.11249926  0.73249369  0.51196172
   0.38265039  0.97733283  0.78437893
   0.53756084  0.88890336  0.64176657
   0.25276998  0.89608689  0.62391958
   0.27837653  0.68990830 -0.05975263
   0.01735142  0.71070347  0.95687308
   0.60935558  0.04829693  0.10012615
   0.84041798  0.20065014  0.22604864
   0.63672058  0.28085673  0.00192227
   0.85998071  0.45141287  0.31128697
   0.03388167  0.40504273  0.16970958
   0.78379997  0.42741351  0.12005397
   0.70222213  0.19039832  0.38288045
   0.46729286  0.16538766  0.44384120
   0.66530126  0.04854046  0.53592281
   0.88205188  0.25802799  0.84502771
   0.63412738  0.32389049  0.54472076
   0.89224350  0.51919547  0.85775785
   1.05121343  0.49889229  0.57717765
   0.74498189  0.42223398  0.71227022
   0.77934915  0.06719582  0.94197464
   0.53029211  0.06131984  0.91940322
   0.55723007  0.53518074  0.04073061
   0.89412979  0.71245092  0.28009515
   0.54502974  0.79352434  0.05406374
   0.83921836  0.97882875  0.32116313
   0.94638111  0.91351798  0.16155933
   0.69595732  0.84022725  0.20169735
   0.82471896  0.61337692  0.45512989
   0.57388742  0.59255385  0.40343608
   0.63856493  0.58541738  0.58830095
   0.86093652  0.77508741  0.80090410
   0.62707958  0.82417733  0.45173696
   0.97443479  1.03365157  0.79447725
   1.00765712  0.84678169  0.65929545
   0.77637262  0.99104165  0.70884500
   0.75402809  0.68668754  0.96615957
   0.52597402  0.67228752  0.88165833
   0.78840770  0.84004702  0.58577336
   0.71468535  0.90146696  0.41996789
   0.89968113  0.24075653  0.07611584
   0.79327265  1.14345134  0.18741253
   0.36726476  0.09011837  0.62082018
   0.40192684  0.98136624  1.01869690
   0.40096764  0.85715184 -0.56543089
   0.35995411  1.02196338  0.05134238
   0.65514955  0.40047748  0.87320182
   0.58720578  0.65067967  0.62852620
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961859    0.208970   -0.106637
    -0.000000    9.892816    0.261863
    -0.000000    0.000000   14.221227
   Si   O    H 
    32    64    10
Direct configuration=  3193
   0.18131225  0.15338524  0.00704978
   0.35110944  0.11374779  0.37839765
   0.17497113  0.42531267  0.11637687
   0.41922170  0.33226720  0.24651158
   0.07170745  0.12734829  0.47420092
   0.40729227  0.10220092  0.84817299
   0.14760996  0.36607035  0.58689312
   0.36952265  0.37634225  0.74561134
   0.15490542  0.70480113  0.00953228
   0.41823849  0.58694827  0.36933892
   0.10552755  0.93512809  0.14353455
   0.33742340  0.85708916  0.26444103
   0.15320104  0.57514062  0.48437088
   0.36811860  0.64644261  0.84713939
   0.11125777  0.85551418  0.58336740
   0.38483910  0.95020306  0.67442165
   0.64503038  0.11659011  0.98756079
   0.83971618  0.14911155  0.33715088
   0.62968145  0.40299391  0.08914323
   0.90325359  0.32590495  0.15660469
   0.62205611  0.19706319  0.48149637
   0.91616407  0.11090265  0.88573777
   0.61794038  0.42062694  0.63550008
   0.78929256  0.38756962  0.82424949
   0.59665450  0.67837603 -0.01292041
   0.91390149  0.58614338  0.35322747
   0.57471198  0.89315531  0.13956619
   0.84422342  0.86320813  0.24395649
   0.67228565  0.67039220  0.47018717
   0.88879548  0.67194609  0.89651677
   0.69276053  0.94429523  0.61925212
   0.91625291  0.90485720  0.73958538
   0.16995970  0.08088278  0.11244126
   0.37672483  0.17502540  0.27083470
   0.19763837  0.31674838  0.02857727
   0.41113734  0.42570989  0.33835460
   0.55691778  0.34431586  0.18454359
   0.29410744  0.39384740  0.18981125
   0.20464849  0.11596773  0.40989526
  -0.03456555  0.19918793  0.39886088
   0.03671588 -0.02343875  0.51602401
   0.43911771  0.22731773  0.77548320
   0.10445238  0.21965799  0.55967419
   0.34682197  0.47525176  0.84033620
   0.46690569  0.45031464  0.66456228
   0.22875458  0.35480108  0.68504652
   0.28161704  0.14949687 -0.08543655
   0.03833449  0.11882719  0.96189317
   0.17260199  0.57781153  0.07809864
   0.39290323  0.69923318  0.27926955
   0.17873692  0.84085736  0.06360277
   0.36551600  0.92943283  0.36470584
   0.43771211  0.93854275  0.19518874
   0.17919006  0.88154031  0.23996761
   0.30878953  0.63792852  0.44636043
   0.08499122  0.56454040  0.37242277
   0.24370653  0.41619099  0.49889246
   0.34817886  0.69222764  0.74327702
   0.11183189  0.73343007  0.51196077
   0.38250848  0.97532663  0.78494736
   0.53537946  0.88957518  0.64222624
   0.25312278  0.89437734  0.62422482
   0.27724649  0.69051408 -0.06010505
   0.01765663  0.71064091  0.95753661
   0.60902153  0.04842482  0.09970200
   0.83894785  0.20007389  0.22582520
   0.63735762  0.28104709  0.00166071
   0.86059257  0.45229808  0.31073370
   0.03420782  0.40372439  0.17083504
   0.78333618  0.42543298  0.12175375
   0.70290144  0.19094648  0.38350931
   0.46724325  0.16535903  0.44482822
   0.66629823  0.05008362  0.53574363
   0.88166012  0.25732301  0.84450862
   0.63262155  0.32333443  0.54498962
   0.89230307  0.51758572  0.85861235
   1.04993102  0.49818260  0.57748711
   0.74268764  0.42304011  0.71239299
   0.78005650  0.06768632  0.94255198
   0.53082941  0.06031283  0.91969169
   0.55375950  0.53516766  0.04072358
   0.89468218  0.71170305  0.28051812
   0.54378162  0.79208314  0.05413490
   0.84180318  0.98125667  0.32046722
   0.94837402  0.91461147  0.16344322
   0.69543978  0.84006162  0.20262340
   0.82617519  0.61421730  0.45461426
   0.57409161  0.59151965  0.40346770
   0.63758311  0.58728168  0.58762707
   0.86132982  0.77481884  0.80208123
   0.62570582  0.82192908  0.45120450
   0.97508107  1.03281955  0.79370860
   1.00742660  0.84558343  0.65983061
   0.77579905  0.99044865  0.70902639
   0.75335130  0.68727447  0.96637886
   0.52846927  0.67390480  0.88216034
   0.79173876  0.84299715  0.58943798
   0.70972793  0.88621330  0.42308447
   0.90271640  0.22727956  0.07698660
   0.79764726  1.15124774  0.18954220
   0.37165432  0.09247454  0.62174907
   0.40383119  0.97519585  1.01713314
   0.38674246  0.86621799 -0.58211462
   0.36036013  1.02197569  0.05890686
   0.65972193  0.40157857  0.86977364
   0.58055456  0.65251565  0.62335545
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962272    0.206870   -0.106968
    -0.000000    9.885072    0.263016
    -0.000000    0.000000   14.219703
   Si   O    H 
    32    64    10
Direct configuration=  3194
   0.18153903  0.15408180  0.00736452
   0.35095063  0.11383958  0.37818481
   0.17482197  0.42432969  0.11603619
   0.41910533  0.33183499  0.24661287
   0.07077047  0.12794257  0.47343261
   0.40704539  0.10090113  0.84825639
   0.14890177  0.36393190  0.58733754
   0.36857710  0.37758572  0.74637153
   0.15538357  0.70507690  0.00951239
   0.41832773  0.58775570  0.36916448
   0.10592432  0.93348225  0.14363812
   0.33765056  0.85640969  0.26474363
   0.15324002  0.57551365  0.48388529
   0.36859657  0.64662486  0.84842876
   0.11149476  0.85563170  0.58345146
   0.38382150  0.95052690  0.67507219
   0.64504842  0.11505737  0.98971080
   0.84004307  0.14826963  0.33838884
   0.62964450  0.40279842  0.08955547
   0.90238900  0.32701554  0.15713580
   0.62311467  0.19667948  0.48184372
   0.91635918  0.11107051  0.88522118
   0.61849488  0.42084873  0.63438918
   0.78845343  0.38843394  0.82494337
   0.59632497  0.67715493 -0.01321735
   0.91336741  0.58555891  0.35339996
   0.57739416  0.89424743  0.13877365
   0.84414367  0.86291181  0.24372757
   0.67186751  0.67081371  0.46978508
   0.88973092  0.67290202  0.89705308
   0.69310711  0.94390050  0.61785237
   0.91602073  0.90482802  0.73978608
   0.17164650  0.08084629  0.11283318
   0.37867164  0.17472564  0.27003728
   0.19767890  0.31710102  0.02862253
   0.41063212  0.42532564  0.33830479
   0.55601435  0.34517200  0.18569058
   0.29376174  0.39424330  0.18947629
   0.20576251  0.11513736  0.41001894
  -0.03204858  0.19867389  0.39763564
   0.03484185 -0.02270568  0.51465872
   0.43918795  0.22621275  0.77414304
   0.10636282  0.22128654  0.56016264
   0.34985405  0.47629948  0.84111676
   0.46759970  0.45066489  0.66388048
   0.22762313  0.35651365  0.68576388
   0.28204710  0.14908349 -0.08500806
   0.03928568  0.11884495  0.96318786
   0.17333333  0.57721353  0.07947561
   0.39278229  0.69916934  0.27860115
   0.17871309  0.83965497  0.06408189
   0.36559061  0.92988691  0.36718156
   0.43816748  0.93539258  0.19533426
   0.17944524  0.88056806  0.23958283
   0.31010449  0.63825218  0.44658279
   0.08338636  0.56513049  0.37173723
   0.24306544  0.41600624  0.49893137
   0.34915933  0.69274574  0.74381044
   0.11149918  0.73468753  0.51229078
   0.38168863  0.97379397  0.78628078
   0.53376784  0.89046275  0.64226011
   0.25375738  0.89336473  0.62489993
   0.27719228  0.69107085 -0.06046646
   0.01640152  0.70969781  0.95774939
   0.60993170  0.04846614  0.09823836
   0.83915990  0.20173145  0.22741956
   0.63875260  0.28087147  0.00185136
   0.86122486  0.45257596  0.31037756
   0.03533801  0.40241009  0.17215414
   0.78271063  0.42348294  0.12324859
   0.70306563  0.19110068  0.38427398
   0.46709639  0.16595908  0.44619369
   0.66650339  0.05183969  0.53534890
   0.88137269  0.25612201  0.84421623
   0.63194899  0.32234636  0.54535799
   0.89180340  0.51581281  0.85943139
   1.04910286  0.49790970  0.57745043
   0.74040943  0.42311725  0.71266315
   0.78058505  0.06787096  0.94271684
   0.53102072  0.05953859  0.91993467
   0.55100246  0.53504761  0.04150635
   0.89417562  0.71204029  0.28081774
   0.54260969  0.79142441  0.05407275
   0.84303429  0.98331264  0.32061721
   0.95042471  0.91588441  0.16516938
   0.69572701  0.83966782  0.20286316
   0.82787642  0.61595348  0.45353166
   0.57475648  0.59051175  0.40382179
   0.63652797  0.58912160  0.58690576
   0.86121351  0.77443573  0.80304698
   0.62514580  0.82171210  0.45026048
   0.97623800  1.03209365  0.79372355
   1.00714076  0.84379813  0.66064409
   0.77510010  0.98966416  0.70944751
   0.75253964  0.68808333  0.96655764
   0.53110590  0.67614039  0.88278794
   0.79489089  0.84859894  0.59258612
   0.69334078  0.86387681  0.42856836
   0.91080726  0.21915662  0.07930375
   0.77510962  1.12390840  0.16678239
   0.37790881  0.08837103  0.62359807
   0.40047117  0.97700323  1.02259782
   0.37347649  0.87218992 -0.59679483
   0.36830577  1.01691898  0.05821805
   0.66414596  0.40008925  0.86940270
   0.57370898  0.65318337  0.61722981
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962429    0.205042   -0.107326
    -0.000000    9.877569    0.264342
    -0.000000    0.000000   14.218469
   Si   O    H 
    32    64    10
Direct configuration=  3195
   0.18165740  0.15582656  0.00785165
   0.35072174  0.11425096  0.37801492
   0.17516469  0.42334681  0.11576537
   0.41810516  0.33144396  0.24668618
   0.07022666  0.12847542  0.47314825
   0.40659272  0.10012674  0.84868526
   0.14968414  0.36285849  0.58797399
   0.36759612  0.37912220  0.74714206
   0.15593190  0.70471438  0.00972458
   0.41805296  0.58838015  0.36890454
   0.10677673  0.93170994  0.14363396
   0.33790048  0.85563178  0.26480806
   0.15354451  0.57605596  0.48357708
   0.36937078  0.64621453  0.84960295
   0.11175632  0.85598393  0.58309482
   0.38246840  0.95103842  0.67575604
   0.64497667  0.11384801  0.99187930
   0.84040557  0.14686215  0.33968718
   0.63005432  0.40291965  0.08973295
   0.90137639  0.32783475  0.15708835
   0.62453344  0.19548860  0.48183400
   0.91650101  0.11019606  0.88531471
   0.61920793  0.42137350  0.63320604
   0.78736249  0.38933316  0.82505455
   0.59594664  0.67592979 -0.01363422
   0.91308828  0.58437066  0.35363278
   0.57967256  0.89481960  0.13746145
   0.84398711  0.86216270  0.24369565
   0.67223205  0.67061551  0.46894049
   0.89006755  0.67329228  0.89728336
   0.69288654  0.94301929  0.61699208
   0.91514025  0.90502742  0.73985596
   0.17357768  0.08110374  0.11316233
   0.38101070  0.17436472  0.26898007
   0.19813383  0.31707076  0.02872966
   0.41002434  0.42518635  0.33858999
   0.55565156  0.34625985  0.18675876
   0.29400390  0.39490692  0.18849315
   0.20621097  0.11439022  0.41056914
  -0.02975726  0.19892690  0.39611493
   0.03229853 -0.02194495  0.51354866
   0.43973859  0.22538207  0.77285632
   0.10826375  0.22147907  0.56080624
   0.35309597  0.47638890  0.84164381
   0.46765002  0.45114843  0.66348044
   0.22646292  0.35816756  0.68683151
   0.28244908  0.14834748 -0.08485434
   0.03927429  0.11857994  0.96446402
   0.17346510  0.57696306  0.08072425
   0.39224955  0.70008777  0.27802660
   0.17916882  0.83927098  0.06454524
   0.36581246  0.93397293  0.36688298
   0.43891513  0.93219352  0.19530420
   0.17999052  0.87914315  0.23912523
   0.31134955  0.63867250  0.44709370
   0.08186680  0.56542692  0.37145481
   0.24143324  0.41589727  0.49902267
   0.34995789  0.69298910  0.74405507
   0.11040968  0.73574847  0.51266471
   0.38065612  0.97270376  0.78743279
   0.53278933  0.89114816  0.64183429
   0.25418978  0.89219387  0.62478899
   0.27709916  0.69217482 -0.06090277
   0.01527497  0.70950008  0.95776080
   0.61037849  0.04827141  0.09694726
   0.83928964  0.20304553  0.22850602
   0.63935505  0.28087048  0.00254918
   0.86159575  0.45279503  0.30970233
   0.03639344  0.40169442  0.17320653
   0.78203531  0.42255392  0.12439262
   0.70224020  0.19116820  0.38522676
   0.46667125  0.16650987  0.44742284
   0.66646603  0.05451833  0.53479942
   0.88020514  0.25580120  0.84383701
   0.63173892  0.32134016  0.54653028
   0.89037573  0.51424383  0.86066342
   1.04734449  0.49727307  0.57701844
   0.73803225  0.42296976  0.71301456
   0.78161765  0.06779128  0.94321369
   0.53077409  0.05794743  0.92007388
   0.54896777  0.53409828  0.04207028
   0.89403975  0.71289871  0.28128693
   0.54098574  0.79083758  0.05409101
   0.84408992  0.98533272  0.32081143
   0.95160616  0.91673382  0.16626151
   0.69608492  0.83856480  0.20332689
   0.82886935  0.61746839  0.45304256
   0.57463986  0.58935801  0.40433243
   0.63592705  0.59155964  0.58644761
   0.86126078  0.77411878  0.80389231
   0.62300872  0.82111480  0.44974601
   0.97705576  1.03153906  0.79367933
   1.00690882  0.84223731  0.66205858
   0.77453973  0.98884195  0.70957199
   0.75319516  0.68891578  0.96658868
   0.53384251  0.67747507  0.88283195
   0.79913232  0.85109571  0.59187748
   0.70400989  0.86752742  0.42440200
   0.91768614  0.21443250  0.08406027
   0.75832363  1.10400790  0.14914974
   0.38444373  0.08451130  0.62525527
   0.39704899  0.97647162  1.02730262
   0.37444914  0.81584231 -0.56299028
   0.36995223  1.01193724  0.06113523
   0.66367745  0.39824088  0.87248848
   0.56539053  0.65352995  0.61135307
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962598    0.203093   -0.108144
    -0.000000    9.869935    0.265494
    -0.000000    0.000000   14.217380
   Si   O    H 
    32    64    10
Direct configuration=  3196
   0.18155804  0.15777146  0.00804673
   0.35044349  0.11470000  0.37770730
   0.17528148  0.42125231  0.11509697
   0.41708687  0.33127451  0.24677349
   0.07013647  0.12815413  0.47306780
   0.40648537  0.09943923  0.84935838
   0.15091397  0.36252345  0.58809789
   0.36749998  0.38052080  0.74801533
   0.15620261  0.70425488  0.00988807
   0.41803684  0.58863598  0.36859824
   0.10823350  0.92967840  0.14339990
   0.33848783  0.85510682  0.26493783
   0.15376616  0.57651808  0.48282535
   0.36996547  0.64608245  0.85078380
   0.11182336  0.85631366  0.58281174
   0.38116265  0.95154958  0.67623398
   0.64489287  0.11245884  0.99365145
   0.84142581  0.14594692  0.34077843
   0.62994111  0.40299705  0.08979497
   0.90021015  0.32809122  0.15707625
   0.62600696  0.19474041  0.48161525
   0.91699500  0.10927308  0.88503466
   0.61988647  0.42166413  0.63203688
   0.78710074  0.39087086  0.82519823
   0.59597204  0.67484448 -0.01412568
   0.91309164  0.58330443  0.35424924
   0.58210003  0.89500493  0.13602953
   0.84421842  0.86110672  0.24327465
   0.67304910  0.66987070  0.46853478
   0.88982736  0.67322728  0.89758731
   0.69221958  0.94227333  0.61671981
   0.91386433  0.90475053  0.73990529
   0.17473751  0.08134426  0.11374158
   0.38252619  0.17366886  0.26835893
   0.19928358  0.31799515  0.02856979
   0.40966844  0.42552050  0.33917499
   0.55583383  0.34730784  0.18761260
   0.29475872  0.39609230  0.18806702
   0.20623427  0.11433653  0.41082134
  -0.02868445  0.20043506  0.39420982
   0.03090849 -0.02142753  0.51247993
   0.44040491  0.22484987  0.77216248
   0.11009473  0.22096768  0.56152714
   0.35648172  0.47635524  0.84230844
   0.46813377  0.45145855  0.66366078
   0.22486048  0.35964461  0.68799600
   0.28202629  0.14686521 -0.08453144
   0.03886644  0.11879729  0.96574846
   0.17348934  0.57692014  0.08209865
   0.39218662  0.70086901  0.27775688
   0.17987865  0.83957543  0.06481991
   0.36676496  0.93669766  0.36691164
   0.44065328  0.92878110  0.19513354
   0.18000724  0.87782688  0.23932750
   0.31273454  0.63905407  0.44806167
   0.07998254  0.56557881  0.37188324
   0.23910847  0.41534098  0.49866179
   0.34983520  0.69347612  0.74445399
   0.10975141  0.73597401  0.51346301
   0.37946893  0.97168798  0.78902325
   0.53254623  0.89189703  0.64137523
   0.25448572  0.89073606  0.62459700
   0.27757804  0.69342095 -0.06185463
   0.01397254  0.70949180  0.95831675
   0.61169255  0.04831327  0.09594899
   0.83947061  0.20380620  0.22872387
   0.63926659  0.28101691  0.00337632
   0.86064602  0.45176902  0.30913042
   0.03763084  0.40062281  0.17383043
   0.78104565  0.42220679  0.12593778
   0.70213573  0.19169368  0.38601466
   0.46651122  0.16676050  0.44847087
   0.66700534  0.05735716  0.53490818
   0.87949489  0.25617753  0.84321229
   0.63196009  0.32042112  0.54834084
   0.88818282  0.51299407  0.86227543
   1.04577644  0.49683727  0.57642535
   0.73626470  0.42222459  0.71295378
   0.78366445  0.06721876  0.94365854
   0.53074567  0.05615344  0.92088480
   0.54691324  0.53297820  0.04226836
   0.89439192  0.71384327  0.28152866
   0.53943260  0.79119747  0.05461860
   0.84494264  0.98617123  0.32167245
   0.95225421  0.91729352  0.16707871
   0.69644112  0.83813703  0.20401359
   0.82854992  0.61876781  0.45302249
   0.57433616  0.58769514  0.40451749
   0.63612883  0.59454179  0.58538435
   0.86063316  0.77434287  0.80443748
   0.62165535  0.82130971  0.44956485
   0.97802143  1.03062716  0.79364118
   1.00653375  0.84007344  0.66351717
   0.77423324  0.98893765  0.70979081
   0.75347876  0.69018249  0.96679660
   0.53551584  0.67871747  0.88275580
   0.80179218  0.84922023  0.58863423
   0.70983842  0.87635953  0.42296327
   0.92541585  0.21616282  0.08725815
   0.74142804  1.09323509  0.13302562
   0.39011085  0.08474449  0.62796820
   0.39957641  0.97312262  1.02843227
   0.37443217  0.77425707 -0.53822749
   0.36891135  1.01337520  0.06662440
   0.66006813  0.39553467  0.87641734
   0.55753702  0.65414687  0.60467412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.962470    0.201585   -0.108505
    -0.000000    9.862436    0.266727
    -0.000000    0.000000   14.215947
   Si   O    H 
    32    64    10
Direct configuration=  3197
   0.18130111  0.16015088  0.00775102
   0.35096809  0.11480863  0.37720399
   0.17518665  0.41935008  0.11468853
   0.41623931  0.33188055  0.24696034
   0.06985160  0.12812206  0.47285448
   0.40642016  0.09934700  0.84987477
   0.15219453  0.36273805  0.58798189
   0.36722414  0.38182783  0.74890100
   0.15676358  0.70364900  0.00991162
   0.41797201  0.58859528  0.36792222
   0.10935585  0.92831309  0.14341053
   0.33913625  0.85486026  0.26589027
   0.15402379  0.57784230  0.48185797
   0.37072007  0.64561154  0.85140937
   0.11159385  0.85705102  0.58257104
   0.38078500  0.95196244  0.67658687
   0.64531655  0.11138723  0.99517353
   0.84301820  0.14586282  0.34145913
   0.62897369  0.40248840  0.08943479
   0.89931735  0.32760418  0.15739632
   0.62695598  0.19358765  0.48128857
   0.91697641  0.10791330  0.88480096
   0.62081431  0.42161392  0.63075479
   0.78638544  0.39289369  0.82586071
   0.59606342  0.67362929 -0.01431321
   0.91306482  0.58221005  0.35480265
   0.58389593  0.89565854  0.13501612
   0.84431897  0.86013851  0.24306324
   0.67415866  0.66896757  0.46808749
   0.88862807  0.67283088  0.89769465
   0.69116270  0.94130307  0.61659973
   0.91229007  0.90447766  0.74025829
   0.17605083  0.08122782  0.11419936
   0.38419479  0.17289137  0.26855651
   0.19989199  0.31867631  0.02844733
   0.40998640  0.42608927  0.33999251
   0.55524358  0.34825976  0.18789295
   0.29478524  0.39764238  0.18753803
   0.20544637  0.11519100  0.41166977
  -0.02703012  0.20139566  0.39287371
   0.03000130 -0.02089469  0.51202777
   0.44017275  0.22483550  0.77144872
   0.11141953  0.21868563  0.56238069
   0.35942341  0.47646169  0.84254893
   0.46832889  0.45169591  0.66412770
   0.22406747  0.36085808  0.68894394
   0.28183508  0.14494025 -0.08436145
   0.03797084  0.11926537  0.96682189
   0.17313444  0.57685206  0.08310224
   0.39219067  0.70012274  0.27751618
   0.18018540  0.83927933  0.06538448
   0.36788558  0.94011046  0.36719647
   0.44344688  0.92420709  0.19416865
   0.18081976  0.87720630  0.23953539
   0.31427702  0.63999668  0.44908891
   0.07839130  0.56655965  0.37280968
   0.23773781  0.41516662  0.49825704
   0.34939528  0.69421425  0.74513716
   0.10913677  0.73569785  0.51420905
   0.37890521  0.97107782  0.78993142
   0.53226544  0.89201822  0.64098568
   0.25585042  0.88903235  0.62424268
   0.27712253  0.69499266 -0.06269207
   0.01306661  0.70904472  0.95881444
   0.61333260  0.04833225  0.09566043
   0.83990097  0.20441746  0.22944398
   0.63927791  0.28166658  0.00446527
   0.85956976  0.45040237  0.30851792
   0.03877425  0.40010018  0.17421791
   0.78007822  0.42195081  0.12719576
   0.70231563  0.19287280  0.38687017
   0.46702168  0.16722098  0.44963266
   0.66701425  0.06005138  0.53478910
   0.87799597  0.25579372  0.84247591
   0.63239887  0.32019637  0.55020042
   0.88513037  0.51206385  0.86385643
   1.04463985  0.49654413  0.57548049
   0.73527369  0.42186723  0.71276760
   0.78563688  0.06619416  0.94430936
   0.53077910  0.05498837  0.92178465
   0.54515686  0.53243421  0.04229451
   0.89435945  0.71507890  0.28175819
   0.53848666  0.79176679  0.05525450
   0.84544919  0.98630784  0.32273374
   0.95264499  0.91861913  0.16685414
   0.69583607  0.83836163  0.20502602
   0.82829115  0.62048076  0.45314127
   0.57399225  0.58607970  0.40399977
   0.63700543  0.59728035  0.58471746
   0.86023624  0.77461002  0.80504420
   0.62135417  0.82248010  0.44935957
   0.97832285  1.02931060  0.79358546
   1.00651101  0.83775223  0.66518693
   0.77372973  0.98961416  0.71057482
   0.75412345  0.69156498  0.96689137
   0.53678209  0.67918352  0.88227229
   0.80202011  0.84694913  0.58485673
   0.70691913  0.88445259  0.42643718
   0.93611267  0.21627519  0.08902748
   0.72278970  1.08396920  0.12000719
   0.39168243  0.08649231  0.62960075
   0.39943056  0.97319645  1.03074969
   0.36795426  0.72926564 -0.51715891
   0.36200641  1.01561509  0.07218751
   0.66069348  0.39628490  0.88074501
   0.55155086  0.65204173  0.59765416
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961837    0.199829   -0.108809
    -0.000000    9.855334    0.267155
    -0.000000    0.000000   14.214503
   Si   O    H 
    32    64    10
Direct configuration=  3198
   0.18085952  0.16279975  0.00738067
   0.35152487  0.11423038  0.37679706
   0.17514971  0.41786030  0.11451637
   0.41583981  0.33270072  0.24687834
   0.06945235  0.12792292  0.47300511
   0.40645255  0.09925001  0.85023057
   0.15333030  0.36333822  0.58797157
   0.36667354  0.38271700  0.74966300
   0.15753841  0.70338996  0.00961241
   0.41822614  0.58817394  0.36687411
   0.11059812  0.92711872  0.14337379
   0.33959855  0.85533818  0.26703931
   0.15349307  0.57855054  0.48094435
   0.37116163  0.64478629  0.85136615
   0.11096512  0.85849406  0.58236290
   0.38104872  0.95262181  0.67734312
   0.64568340  0.11132881  0.99573990
   0.84467900  0.14595606  0.34170509
   0.62811696  0.40209895  0.08921818
   0.89909237  0.32607548  0.15785518
   0.62690618  0.19231602  0.48097274
   0.91727995  0.10743817  0.88456044
   0.62124533  0.42184556  0.62982206
   0.78585873  0.39489273  0.82686915
   0.59597650  0.67223706 -0.01441385
   0.91326087  0.58087800  0.35459448
   0.58463878  0.89634929  0.13415004
   0.84472350  0.85910342  0.24307682
   0.67547265  0.66742786  0.46782583
   0.88690616  0.67263293  0.89718928
   0.68919499  0.94070939  0.61669191
   0.91077414  0.90484315  0.74057816
   0.17680984  0.08158391  0.11437030
   0.38561649  0.17251053  0.26879814
   0.20038771  0.31931903  0.02784946
   0.41086617  0.42673968  0.34047352
   0.55512887  0.34912254  0.18798987
   0.29451325  0.39897370  0.18713260
   0.20530258  0.11666162  0.41193470
  -0.02582603  0.20247448  0.39194538
   0.02961449 -0.02119200  0.51167329
   0.43997803  0.22489924  0.77098952
   0.11185536  0.21566533  0.56336488
   0.36167589  0.47519893  0.84279896
   0.46845774  0.45158413  0.66484300
   0.22402531  0.36188154  0.68964443
   0.28082647  0.14398199 -0.08398087
   0.03744242  0.11891955  0.96746741
   0.17257758  0.57690714  0.08431898
   0.39194643  0.69914729  0.27839171
   0.18162139  0.83864694  0.06616102
   0.36823006  0.94286434  0.36716525
   0.44663741  0.92084211  0.19293109
   0.18263082  0.87615333  0.23980224
   0.31704205  0.64226752  0.45068242
   0.07709795  0.56778580  0.37417032
   0.23752596  0.41606894  0.49779046
   0.34832254  0.69449520  0.74559694
   0.10885479  0.73549467  0.51399502
   0.37834130  0.97031061  0.79126566
   0.53178670  0.89250792  0.64004885
   0.25614243  0.88785153  0.62329112
   0.27727799  0.69565792 -0.06332630
   0.01246998  0.70773659  0.95999647
   0.61571221  0.04833018  0.09533702
   0.84052991  0.20526767  0.23004719
   0.63986057  0.28217495  0.00569711
   0.85891955  0.44934390  0.30828767
   0.03932829  0.39961885  0.17515773
   0.77858385  0.42212187  0.12801842
   0.70305220  0.19452866  0.38738818
   0.46798726  0.16793563  0.45161129
   0.66770571  0.06206238  0.53489012
   0.87608662  0.25569369  0.84174824
   0.63323519  0.32056981  0.55161163
   0.88301833  0.51156867  0.86523074
   1.04392479  0.49616051  0.57440383
   0.73499661  0.42093413  0.71252963
   0.78775520  0.06525911  0.94545984
   0.53137814  0.05433647  0.92344397
   0.54288085  0.53147840  0.04270880
   0.89417257  0.71674789  0.28210763
   0.53821884  0.79195312  0.05559017
   0.84584127  0.98490412  0.32329504
   0.95287365  0.91979632  0.16665460
   0.69434122  0.83908674  0.20598698
   0.82770884  0.62260119  0.45341624
   0.57280859  0.58439971  0.40361870
   0.63784195  0.59963383  0.58430381
   0.86030209  0.77540680  0.80524693
   0.62252245  0.82425655  0.44914492
   0.97821281  1.02850188  0.79355289
   1.00672615  0.83680446  0.66701122
   0.77418045  0.99028439  0.71149140
   0.75470322  0.69375916  0.96698948
   0.53745721  0.68023060  0.88180410
   0.79579506  0.84299936  0.58000220
   0.69459740  0.88393804  0.43202900
   0.94353501  0.21854751  0.09039529
   0.69858619  1.07479021  0.11056768
   0.39176258  0.09025924  0.63120856
   0.39517083  0.97860396  1.03582332
   0.35386454  0.68116873 -0.50174461
   0.36012585  1.01193386  0.07161086
   0.66362138  0.39611288  0.88211569
   0.54927524  0.64718206  0.59312156
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.961237    0.198000   -0.109012
    -0.000000    9.848913    0.267604
    -0.000000    0.000000   14.213779
   Si   O    H 
    32    64    10
Direct configuration=  3199
   0.18036689  0.16484348  0.00708542
   0.35187949  0.11353074  0.37629204
   0.17433746  0.41636541  0.11423953
   0.41551389  0.33333915  0.24668674
   0.06910970  0.12792992  0.47290759
   0.40649932  0.09959976  0.85049447
   0.15478025  0.36381958  0.58815868
   0.36658573  0.38333603  0.74990946
   0.15830137  0.70317724  0.00947072
   0.41909995  0.58748119  0.36591880
   0.11196443  0.92667762  0.14381192
   0.34067986  0.85590794  0.26809933
   0.15217646  0.57921621  0.48044892
   0.37194974  0.64421352  0.85112630
   0.10949529  0.86017096  0.58199006
   0.38165214  0.95333165  0.67811830
   0.64582584  0.11171985  0.99526234
   0.84598979  0.14669441  0.34128559
   0.62767059  0.40158989  0.08952658
   0.89914543  0.32459208  0.15839163
   0.62736659  0.19155488  0.48043409
   0.91762809  0.10738233  0.88452239
   0.62200405  0.42203885  0.62948605
   0.78536222  0.39692005  0.82712741
   0.59603230  0.67142809 -0.01476755
   0.91315671  0.58036723  0.35443573
   0.58477846  0.89697004  0.13329602
   0.84518153  0.85850576  0.24285866
   0.67710875  0.66593080  0.46771296
   0.88477361  0.67268785  0.89662978
   0.68701657  0.94039460  0.61721820
   0.90872341  0.90459925  0.74104134
   0.17727871  0.08210213  0.11469837
   0.38666217  0.17252718  0.26936789
   0.20061817  0.32010393  0.02727507
   0.41118067  0.42786988  0.34044787
   0.55487239  0.34936847  0.18778765
   0.29389587  0.40049550  0.18683190
   0.20521560  0.11762693  0.41195561
  -0.02488793  0.20297229  0.39118707
   0.02930370 -0.02161336  0.51195856
   0.43929071  0.22506390  0.77045082
   0.11085494  0.21214976  0.56405898
   0.36387793  0.47414111  0.84372478
   0.46823251  0.45146831  0.66604649
   0.22421635  0.36302320  0.69057609
   0.28011191  0.14296758 -0.08341289
   0.03730667  0.11842676  0.96746343
   0.17187091  0.57686286  0.08531764
   0.39187079  0.69853766  0.27901937
   0.18294202  0.83816316  0.06675799
   0.36850208  0.94559191  0.36644370
   0.44959810  0.91709275  0.19159983
   0.18443009  0.87596189  0.24050655
   0.31963797  0.64365174  0.45098686
   0.07645864  0.56871442  0.37607698
   0.23743530  0.41742319  0.49749875
   0.34713525  0.69410466  0.74649727
   0.10870174  0.73500362  0.51393558
   0.37798035  0.96906687  0.79239030
   0.53136594  0.89298187  0.63889183
   0.25640671  0.88751041  0.62177101
   0.27812592  0.69658638 -0.06389952
   0.01232511  0.70648694  0.96173227
   0.61619208  0.04748486  0.09508792
   0.84144236  0.20648092  0.23078125
   0.64014737  0.28200596  0.00644399
   0.85826322  0.44863406  0.30764650
   0.03968743  0.39895094  0.17564012
   0.77602452  0.42288130  0.12832129
   0.70447817  0.19583767  0.38681421
   0.46822787  0.16862675  0.45311392
   0.66889921  0.06331813  0.53591150
   0.87373187  0.25581075  0.84087628
   0.63479277  0.32011487  0.55267791
   0.88074553  0.51215740  0.86661700
   1.04337016  0.49572101  0.57355734
   0.73542366  0.41991261  0.71225688
   0.78957897  0.06347220  0.94647702
   0.53147306  0.05398976  0.92449652
   0.54017764  0.53044942  0.04284635
   0.89290622  0.71755075  0.28220021
   0.53749705  0.79265622  0.05537202
   0.84613850  0.98251983  0.32406084
   0.95340392  0.92145779  0.16640811
   0.69345448  0.83976254  0.20688424
   0.82766228  0.62294590  0.45339503
   0.57165182  0.58225268  0.40307287
   0.63856798  0.60192066  0.58395437
   0.86028771  0.77542093  0.80611227
   0.62403397  0.82563391  0.44895058
   0.97840030  1.02728606  0.79390341
   1.00663858  0.83659532  0.66851833
   0.77450728  0.99076960  0.71181862
   0.75557887  0.69538283  0.96699119
   0.53846776  0.68100286  0.88131045
   0.78758380  0.84040214  0.57576912
   0.68214647  0.88598246  0.43702927
   0.94525619  0.22200560  0.09034469
   0.71378793  1.08008956  0.11546515
   0.38806133  0.09032050  0.63310645
   0.39525199  0.98361738  1.04102559
   0.35667170  0.65617547 -0.46788691
   0.35901250  1.01037729  0.06990610
   0.66245042  0.39641891  0.88298921
   0.54322306  0.64256479  0.59218538
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.960621    0.196123   -0.108698
    -0.000000    9.842379    0.268483
    -0.000000    0.000000   14.212942
   Si   O    H 
    32    64    10
Direct configuration=  3200
   0.18002389  0.16564073  0.00630809
   0.35233512  0.11246680  0.37556181
   0.17384219  0.41481152  0.11398530
   0.41500175  0.33422671  0.24668786
   0.06895513  0.12769631  0.47261974
   0.40663905  0.10023153  0.85049591
   0.15599594  0.36409863  0.58843384
   0.36600475  0.38365615  0.75012962
   0.15969748  0.70254798  0.00942000
   0.42014965  0.58729748  0.36572110
   0.11342012  0.92610841  0.14386279
   0.34181304  0.85645729  0.26895448
   0.15042515  0.57932527  0.48010038
   0.37330091  0.64301591  0.85073011
   0.10786792  0.86161153  0.58152559
   0.38208303  0.95391783  0.67864015
   0.64604641  0.11203064  0.99426030
   0.84669499  0.14742561  0.34050405
   0.62730702  0.40139974  0.08958064
   0.89960337  0.32325025  0.15879949
   0.62699233  0.19086588  0.47968028
   0.91868483  0.10747382  0.88487977
   0.62191215  0.42208005  0.62974560
   0.78473600  0.39868578  0.82716577
   0.59636509  0.67131901 -0.01508356
   0.91280255  0.58016399  0.35409968
   0.58480617  0.89676776  0.13246938
   0.84542578  0.85860191  0.24271771
   0.67830581  0.66497871  0.46749994
   0.88241883  0.67260743  0.89585156
   0.68511640  0.94029659  0.61744944
   0.90660911  0.90426434  0.74148910
   0.17733388  0.08244112  0.11459723
   0.38783058  0.17242072  0.26954818
   0.20076099  0.32159143  0.02687512
   0.41118703  0.42910496  0.34045130
   0.55391966  0.35015449  0.18750063
   0.29299627  0.40170558  0.18708245
   0.20506846  0.11875512  0.41161357
  -0.02395726  0.20325632  0.39091705
   0.02834581 -0.02195997  0.51301911
   0.43825110  0.22514683  0.76984053
   0.10965308  0.20931700  0.56493644
   0.36572727  0.47220014  0.84415572
   0.46863924  0.45151427  0.66665670
   0.22490284  0.36369736  0.69232582
   0.27972328  0.14175044 -0.08318995
   0.03666478  0.11782046  0.96662708
   0.17119099  0.57646378  0.08586756
   0.39222723  0.69840115  0.28011096
   0.18445398  0.83735734  0.06669496
   0.37027457  0.94715638  0.36545659
   0.45229941  0.91358766  0.19006280
   0.18642759  0.87606183  0.24148005
   0.32212116  0.64517823  0.45130201
   0.07632927  0.56970334  0.37795429
   0.23775397  0.41928433  0.49707014
   0.34566872  0.69470666  0.74697927
   0.10866504  0.73397033  0.51386770
   0.37769611  0.96753018  0.79303990
   0.53072577  0.89263664  0.63758030
   0.25671792  0.88686951  0.62061423
   0.27966612  0.69722314 -0.06434730
   0.01284061  0.70432193  0.96306320
   0.61760388  0.04729113  0.09537456
   0.84161135  0.20868614  0.23214415
   0.64140637  0.28102358  0.00715995
   0.85685576  0.44829126  0.30703685
   0.03937499  0.39843535  0.17629419
   0.77287278  0.42452971  0.12777122
   0.70722118  0.19670299  0.38612228
   0.46878964  0.16986606  0.45390965
   0.67116199  0.06308633  0.53673484
   0.87175071  0.25521995  0.84073243
   0.63699434  0.31940605  0.55353593
   0.87903610  0.51298222  0.86772540
   1.04306171  0.49584649  0.57231083
   0.73611409  0.41873164  0.71223023
   0.79066000  0.06275181  0.94791912
   0.53092075  0.05374720  0.92543774
   0.53830397  0.52973052  0.04312267
   0.89159525  0.71751150  0.28210455
   0.53695155  0.79289787  0.05550537
   0.84598405  0.98039908  0.32440817
   0.95445905  0.92376434  0.16579750
   0.69289636  0.84010108  0.20746957
   0.82782691  0.62331983  0.45293438
   0.57063493  0.58014469  0.40276181
   0.63892818  0.60392727  0.58297745
   0.86059564  0.77557186  0.80731274
   0.62414454  0.82593089  0.44929083
   0.97849546  1.02598416  0.79351238
   1.00672534  0.83644660  0.67003790
   0.77462912  0.99123210  0.71187154
   0.75596199  0.69703939  0.96711363
   0.53925947  0.68144189  0.88084278
   0.77569602  0.83684684  0.57357738
   0.69196306  0.91303297  0.43530498
   0.94437682  0.22889322  0.08846817
   0.72701418  1.08504665  0.12377614
   0.38256088  0.08982575  0.63439855
   0.40427479  0.98343500  1.04024037
   0.35986345  0.63498572 -0.44438929
   0.35445184  1.01012911  0.07239994
   0.66050294  0.39553485  0.88295108
   0.54181968  0.63892629  0.59152371
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.959627    0.193872   -0.108123
    -0.000000    9.836233    0.268936
    -0.000000    0.000000   14.212198
   Si   O    H 
    32    64    10
Direct configuration=  3201
   0.17937577  0.16644284  0.00550801
   0.35305882  0.11148533  0.37505853
   0.17311532  0.41411956  0.11380174
   0.41474512  0.33517571  0.24659603
   0.06863908  0.12807024  0.47201461
   0.40780416  0.10098785  0.85093646
   0.15692167  0.36385349  0.58885575
   0.36588650  0.38431638  0.75026814
   0.16086419  0.70173314  0.00958879
   0.42130603  0.58694467  0.36555464
   0.11473697  0.92570229  0.14405831
   0.34333383  0.85716525  0.26956773
   0.14835359  0.57933918  0.47990526
   0.37460633  0.64165340  0.85042319
   0.10595104  0.86305250  0.58075124
   0.38204992  0.95431002  0.67867632
   0.64599421  0.11293708  0.99304330
   0.84694470  0.14851088  0.33967409
   0.62715856  0.40126561  0.08959351
   0.90045352  0.32216812  0.15901650
   0.62644874  0.19038079  0.47879631
   0.92025510  0.10759014  0.88537792
   0.62156596  0.42214617  0.63059299
   0.78457034  0.39962477  0.82728104
   0.59677830  0.67118422 -0.01465952
   0.91218734  0.58012276  0.35374388
   0.58447019  0.89609382  0.13192343
   0.84539873  0.85929195  0.24256348
   0.67914256  0.66429725  0.46731058
   0.88045989  0.67294807  0.89501346
   0.68338122  0.94003641  0.61774542
   0.90457409  0.90406086  0.74156273
   0.17814116  0.08317841  0.11458901
   0.38868912  0.17240358  0.27041060
   0.20070097  0.32319313  0.02641875
   0.41146503  0.43003257  0.34016778
   0.55342337  0.35004176  0.18767855
   0.29237161  0.40247847  0.18776819
   0.20489622  0.12123945  0.41126414
  -0.02260346  0.20306113  0.39074980
   0.02716186 -0.02216276  0.51371455
   0.43664056  0.22514687  0.76943316
   0.10839281  0.20788463  0.56581359
   0.36789889  0.47203971  0.84434500
   0.46897315  0.45143369  0.66732571
   0.22569549  0.36423960  0.69403349
   0.27948571  0.14125942 -0.08275073
   0.03577397  0.11676723  0.96606156
   0.17060780  0.57599472  0.08623467
   0.39218873  0.69784423  0.28118051
   0.18698331  0.83657210  0.06641171
   0.37176410  0.94827338  0.36499207
   0.45415684  0.91035477  0.18834594
   0.18826300  0.87587839  0.24255939
   0.32412952  0.64693015  0.45197708
   0.07658265  0.57115269  0.37994853
   0.23841578  0.42131114  0.49614097
   0.34428146  0.69561740  0.74674916
   0.10845952  0.73388917  0.51450906
   0.37764905  0.96549719  0.79326616
   0.52918490  0.89323365  0.63617980
   0.25653818  0.88707419  0.61993934
   0.28076905  0.69880720 -0.06480830
   0.01325338  0.70301975  0.96381033
   0.61977685  0.04751829  0.09601075
   0.84104805  0.20909753  0.23347889
   0.64229611  0.28049601  0.00804441
   0.85608118  0.44850342  0.30620492
   0.03983983  0.39810500  0.17708096
   0.77009650  0.42585421  0.12711264
   0.70933627  0.19835235  0.38519569
   0.46888284  0.17115516  0.45480473
   0.67356279  0.06202237  0.53769224
   0.87018195  0.25599469  0.84083380
   0.63870017  0.31752317  0.55427351
   0.87853463  0.51381597  0.86881766
   1.04245525  0.49627705  0.57096128
   0.73700100  0.41739287  0.71262066
   0.79204206  0.06243925  0.94974902
   0.53011553  0.05370847  0.92606532
   0.53726098  0.52948332  0.04364370
   0.89061788  0.71697981  0.28285165
   0.53748266  0.79299905  0.05517453
   0.84612053  0.97891738  0.32468145
   0.95445049  0.92502712  0.16465198
   0.69234223  0.84048758  0.20857051
   0.82825422  0.62334165  0.45197885
   0.57075412  0.57873335  0.40268650
   0.63897319  0.60611460  0.58252273
   0.86065221  0.77586025  0.80912205
   0.62432569  0.82624429  0.44915701
   0.97867896  1.02538254  0.79338126
   1.00586413  0.83524735  0.67136114
   0.77393559  0.99156250  0.71156892
   0.75678978  0.69902715  0.96740118
   0.53955986  0.68124248  0.88048123
   0.76494925  0.83586004  0.57463270
   0.69689584  0.92511973  0.43764679
   0.94138196  0.23766304  0.08451048
   0.73026362  1.08475001  0.13159557
   0.37632192  0.09121292  0.63453057
   0.41532769  0.98210227  1.03677417
   0.36032493  0.61744344 -0.43370595
   0.35121206  1.00803465  0.07621274
   0.66185747  0.39499653  0.87999493
   0.54092816  0.63559247  0.59035150
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.958221    0.191539   -0.107396
    -0.000000    9.829982    0.269869
    -0.000000    0.000000   14.211348
   Si   O    H 
    32    64    10
Direct configuration=  3202
   0.17883130  0.16654089  0.00448558
   0.35413472  0.11082346  0.37456436
   0.17273595  0.41398221  0.11353487
   0.41481327  0.33599613  0.24689138
   0.06837396  0.12828941  0.47186800
   0.40931630  0.10158026  0.85163373
   0.15818178  0.36389412  0.58888468
   0.36616844  0.38477184  0.75082255
   0.16182237  0.70085263  0.00992987
   0.42234950  0.58619252  0.36560768
   0.11682864  0.92585219  0.14383529
   0.34530444  0.85768801  0.27012928
   0.14711718  0.57904062  0.47987032
   0.37598644  0.64067222  0.84977012
   0.10462170  0.86433012  0.58048498
   0.38178320  0.95476040  0.67862927
   0.64615389  0.11386634  0.99161730
   0.84719915  0.14962040  0.33890062
   0.62638563  0.40078898  0.08963078
   0.90099039  0.32112386  0.15902807
   0.62644387  0.19052348  0.47809965
   0.92184833  0.10825918  0.88599952
   0.62208802  0.42274194  0.63143602
   0.78427053  0.40084066  0.82727848
   0.59742755  0.67121316 -0.01426718
   0.91133762  0.58008379  0.35331977
   0.58420350  0.89535791  0.13195781
   0.84563622  0.86031565  0.24255526
   0.67953191  0.66338847  0.46694388
   0.87920474  0.67316453  0.89474778
   0.68209108  0.93917763  0.61818990
   0.90283974  0.90385200  0.74153617
   0.17895099  0.08363741  0.11413296
   0.38992724  0.17256977  0.27127248
   0.20064394  0.32406796  0.02583470
   0.41216538  0.43078645  0.34035948
   0.55300029  0.34994532  0.18782188
   0.29260831  0.40299648  0.18878390
   0.20470724  0.12330554  0.41057599
  -0.02207024  0.20241557  0.39091961
   0.02553194 -0.02296645  0.51438751
   0.43519265  0.22495043  0.76909436
   0.10709598  0.20730701  0.56674730
   0.37022160  0.47173417  0.84429898
   0.46869899  0.45081902  0.66783568
   0.22615397  0.36430843  0.69572789
   0.27987345  0.14078114 -0.08252668
   0.03462852  0.11547405  0.96574412
   0.16966626  0.57458077  0.08667646
   0.39209819  0.69761395  0.28204398
   0.18927708  0.83550556  0.06595344
   0.37317582  0.94897384  0.36438935
   0.45521730  0.90824365  0.18741547
   0.19011215  0.87584681  0.24297083
   0.32593666  0.64824786  0.45274695
   0.07641983  0.57248870  0.38178196
   0.24022213  0.42337326  0.49507641
   0.34211013  0.69610794  0.74649685
   0.10830088  0.73438696  0.51479211
   0.37749545  0.96262986  0.79358350
   0.52735812  0.89440169  0.63493755
   0.25652323  0.88757853  0.61907319
   0.28170608  0.70027700 -0.06582591
   0.01331142  0.70280706  0.96422815
   0.62214345  0.04816338  0.09665719
   0.84068495  0.20978960  0.23471060
   0.64274710  0.27991076  0.00902934
   0.85488216  0.44945591  0.30542241
   0.04099510  0.39762909  0.17781360
   0.76845465  0.42744014  0.12678562
   0.71189589  0.19987241  0.38423482
   0.46930367  0.17245112  0.45519358
   0.67662223  0.06120017  0.53874879
   0.86893989  0.25671384  0.84122203
   0.64028061  0.31545255  0.55441716
   0.87762425  0.51463375  0.86982185
   1.04225457  0.49632727  0.57001346
   0.73814658  0.41587514  0.71313507
   0.79292716  0.06164212  0.95210028
   0.52909756  0.05243396  0.92656973
   0.53675136  0.52997271  0.04378199
   0.89027203  0.71704013  0.28436047
   0.53743810  0.79437454  0.05460239
   0.84597451  0.97777527  0.32491336
   0.95446132  0.92663949  0.16325814
   0.69172128  0.84098686  0.20872905
   0.82895202  0.62210107  0.45142970
   0.57145718  0.57813364  0.40302695
   0.63923130  0.60896235  0.58207455
   0.86105951  0.77600459  0.81063001
   0.62455190  0.82600597  0.44880627
   0.97925970  1.02524860  0.79364778
   1.00500986  0.83411922  0.67222453
   0.77210480  0.99174375  0.71115217
   0.75779536  0.70109371  0.96788749
   0.53975062  0.68039999  0.88004629
   0.75507502  0.83163615  0.57509216
   0.69410217  0.91891122  0.44190992
   0.93289178  0.24486733  0.07922467
   0.72927853  1.08648684  0.13768606
   0.37117536  0.08991052  0.63257952
   0.41326020  0.98150481  1.03859696
   0.36097915  0.60652030 -0.43103575
   0.35692682  1.00154596  0.07284121
   0.66444957  0.39560671  0.87908890
   0.54398687  0.63471518  0.59364280
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.956733    0.188899   -0.106248
    -0.000000    9.823618    0.270442
    -0.000000    0.000000   14.210496
   Si   O    H 
    32    64    10
Direct configuration=  3203
   0.17810648  0.16626591  0.00361582
   0.35541281  0.11041285  0.37423827
   0.17250144  0.41380965  0.11325998
   0.41491686  0.33651444  0.24729110
   0.06863057  0.12856773  0.47176027
   0.41054604  0.10191898  0.85201780
   0.15934148  0.36414554  0.58876970
   0.36692416  0.38499419  0.75169783
   0.16318868  0.69944154  0.01020616
   0.42306627  0.58554733  0.36541033
   0.11920769  0.92609100  0.14378410
   0.34711362  0.85835952  0.27086447
   0.14638907  0.57904361  0.48008306
   0.37728379  0.64011725  0.84916537
   0.10353630  0.86459823  0.58000164
   0.38182522  0.95479272  0.67864968
   0.64627880  0.11515791  0.99044857
   0.84710756  0.15032098  0.33813708
   0.62583528  0.40009275  0.08952137
   0.90061134  0.32070070  0.15943142
   0.62681733  0.19032610  0.47746957
   0.92349234  0.10885150  0.88636361
   0.62235320  0.42367396  0.63307643
   0.78393514  0.40141128  0.82690469
   0.59776562  0.67108386 -0.01335331
   0.91008153  0.58022646  0.35308502
   0.58394007  0.89483982  0.13213949
   0.84672039  0.86172664  0.24257679
   0.67963348  0.66244363  0.46639985
   0.87853238  0.67349365  0.89500006
   0.68063345  0.93895892  0.61831248
   0.90161402  0.90318487  0.74181965
   0.17934192  0.08433413  0.11342925
   0.39174378  0.17272069  0.27252953
   0.20064358  0.32393609  0.02542560
   0.41266739  0.43059627  0.34030745
   0.55159030  0.35061830  0.18738470
   0.29296259  0.40273395  0.18987719
   0.20466670  0.12520765  0.41033063
  -0.02272734  0.20211545  0.39141865
   0.02402322 -0.02325960  0.51456117
   0.43371296  0.22471976  0.76917896
   0.10492582  0.20721442  0.56748095
   0.37208229  0.47148977  0.84427247
   0.46941281  0.45070715  0.66867158
   0.22544326  0.36419963  0.69703718
   0.28039262  0.14103757 -0.08207315
   0.03312304  0.11420925  0.96534941
   0.16911416  0.57382608  0.08687792
   0.39240711  0.69800323  0.28281947
   0.19132283  0.83443287  0.06509626
   0.37431503  0.94897484  0.36385471
   0.45553674  0.90653004  0.18699416
   0.19139714  0.87644189  0.24372280
   0.32773454  0.64894581  0.45354183
   0.07730475  0.57405477  0.38306537
   0.24190629  0.42476453  0.49467848
   0.33977230  0.69635598  0.74607031
   0.10820099  0.73472690  0.51515426
   0.37778552  0.95981572  0.79415445
   0.52518384  0.89632693  0.63484997
   0.25609193  0.88788594  0.61871490
   0.28326888  0.70192748 -0.06672320
   0.01312991  0.70213661  0.96385855
   0.62404952  0.04936193  0.09761495
   0.84135566  0.21000699  0.23548387
   0.64314617  0.27872163  0.01044108
   0.85347936  0.45064358  0.30500031
   0.04233636  0.39657268  0.17826687
   0.76822590  0.42975599  0.12644684
   0.71337022  0.20116038  0.38401093
   0.46828246  0.17399182  0.45520094
   0.67990953  0.05953283  0.53994058
   0.86886459  0.25723431  0.84174161
   0.64212068  0.31316472  0.55468222
   0.87678737  0.51641124  0.87081968
   1.04281641  0.49649727  0.56909818
   0.73914311  0.41396454  0.71424310
   0.79352100  0.06040146  0.95447268
   0.52892182  0.05103489  0.92698461
   0.53726910  0.53118964  0.04370656
   0.88989633  0.71763704  0.28569203
   0.53758664  0.79561493  0.05361176
   0.84529008  0.97712997  0.32528223
   0.95402933  0.92885049  0.16201085
   0.69141658  0.84206587  0.20837669
   0.82929678  0.62110052  0.45080787
   0.57286606  0.57823534  0.40393954
   0.63948190  0.61134543  0.58201393
   0.86132341  0.77633181  0.81187274
   0.62463272  0.82518390  0.44895627
   0.97862457  1.02523784  0.79437408
   1.00415845  0.83305220  0.67290655
   0.76923614  0.99101881  0.71075489
   0.75882282  0.70295997  0.96853123
   0.53957771  0.67946749  0.87957536
   0.74977139  0.82315627  0.57501974
   0.68273950  0.89770341  0.44721470
   0.92386551  0.24708244  0.06982152
   0.72205018  1.08747008  0.14130926
   0.36845587  0.08808215  0.63350782
   0.40767180  0.98364243  1.03896084
   0.35730247  0.59856191 -0.43436565
   0.36438358  1.00072431  0.06798153
   0.66494756  0.39482697  0.87857521
   0.54062216  0.63783323  0.59746525
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.955331    0.185810   -0.104697
    -0.000000    9.817575    0.271143
    -0.000000    0.000000   14.210004
   Si   O    H 
    32    64    10
Direct configuration=  3204
   0.17753093  0.16567289  0.00295136
   0.35639641  0.10969572  0.37399063
   0.17183529  0.41442227  0.11308981
   0.41499918  0.33673621  0.24757230
   0.06971611  0.12898864  0.47228511
   0.41114302  0.10281542  0.85239158
   0.15991746  0.36448019  0.58839420
   0.36755817  0.38483747  0.75263411
   0.16444173  0.69763770  0.01079681
   0.42281018  0.58552853  0.36554828
   0.12177279  0.92735143  0.14355963
   0.34897463  0.85798323  0.27182192
   0.14536900  0.57959645  0.48015020
   0.37866578  0.63967280  0.84869020
   0.10238285  0.86537658  0.57939866
   0.38083815  0.95402034  0.67872200
   0.64687290  0.11633461  0.98909179
   0.84665235  0.15035035  0.33705288
   0.62474328  0.39928151  0.08902192
   0.90010578  0.32119181  0.15986727
   0.62678005  0.19010646  0.47721775
   0.92457247  0.10947014  0.88617159
   0.62292066  0.42472592  0.63433892
   0.78413218  0.40177372  0.82637535
   0.59770377  0.67086238 -0.01254115
   0.90944768  0.58026470  0.35258763
   0.58378906  0.89478697  0.13184012
   0.84777519  0.86350889  0.24290432
   0.67993560  0.66168890  0.46607099
   0.87862617  0.67391225  0.89602218
   0.67926423  0.93937406  0.61847552
   0.90119456  0.90263538  0.74213316
   0.17942490  0.08500571  0.11296883
   0.39348149  0.17432240  0.27333499
   0.20023916  0.32371812  0.02492659
   0.41375564  0.42986730  0.34064994
   0.55065262  0.35151961  0.18662230
   0.29312929  0.40223417  0.19067554
   0.20483170  0.12703062  0.40994767
  -0.02301613  0.20164805  0.39167630
   0.02173066 -0.02378424  0.51470433
   0.43223430  0.22520590  0.76935222
   0.10247480  0.20694239  0.56821652
   0.37402831  0.47086911  0.84434440
   0.47037255  0.44946790  0.66908997
   0.22362241  0.36514476  0.69753119
   0.28165555  0.14133700 -0.08144706
   0.03220666  0.11363116  0.96526656
   0.16859484  0.57343608  0.08686139
   0.39200652  0.69894983  0.28310487
   0.19217352  0.83392614  0.06424009
   0.37608181  0.94802386  0.36319541
   0.45451924  0.90570920  0.18636418
   0.19299601  0.87660509  0.24426352
   0.32948686  0.64910541  0.45456974
   0.07748290  0.57514934  0.38424077
   0.24316743  0.42605098  0.49388999
   0.33691654  0.69810127  0.74557977
   0.10864411  0.73553460  0.51524997
   0.37846956  0.95832339  0.79481783
   0.52236541  0.89858945  0.63466710
   0.25543598  0.88817659  0.61865111
   0.28478950  0.70382475 -0.06751349
   0.01309215  0.70137154  0.96331866
   0.62619215  0.05001583  0.09896020
   0.84170809  0.21020632  0.23602593
   0.64346965  0.27811451  0.01137828
   0.85240323  0.45195513  0.30531872
   0.04307963  0.39585561  0.17824640
   0.76942865  0.43157721  0.12622251
   0.71514676  0.20218337  0.38401781
   0.46741780  0.17535175  0.45534402
   0.68361213  0.05794314  0.54166084
   0.86890130  0.25729336  0.84258207
   0.64337749  0.31129852  0.55483513
   0.87555463  0.51845262  0.87168198
   1.04401151  0.49642413  0.56799567
   0.74004943  0.41261629  0.71541130
   0.79382149  0.05902193  0.95686963
   0.52883485  0.04922231  0.92709979
   0.53794072  0.53275068  0.04262847
   0.88987295  0.71747603  0.28678835
   0.53833850  0.79610091  0.05211283
   0.84479312  0.97706026  0.32571987
   0.95320577  0.93085650  0.16089671
   0.69148054  0.84382749  0.20797102
   0.83035154  0.61967107  0.45062980
   0.57483639  0.57825903  0.40475333
   0.63902845  0.61334934  0.58193243
   0.86205910  0.77678618  0.81244463
   0.62476715  0.82418022  0.44906451
   0.97771118  1.02576787  0.79540730
   1.00403046  0.83233412  0.67302684
   0.76583572  0.98927308  0.71000483
   0.75946061  0.70525457  0.96970402
   0.53852269  0.67854636  0.87931597
   0.74697756  0.81551654  0.57803952
   0.68171458  0.89118958  0.45277309
   0.91234523  0.24718780  0.06378589
   0.70906041  1.08414123  0.13902533
   0.36724744  0.09137850  0.63543378
   0.40508818  0.98374952  1.03539598
   0.35574787  0.59534073 -0.44341213
   0.36307030  1.00552389  0.06701755
   0.66219541  0.39317626  0.87664023
   0.54434124  0.64278905  0.59808921
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.953390    0.182664   -0.103334
    -0.000000    9.811910    0.271819
    -0.000000    0.000000   14.209746
   Si   O    H 
    32    64    10
Direct configuration=  3205
   0.17660758  0.16436974  0.00240439
   0.35798119  0.10867080  0.37409300
   0.17188698  0.41478775  0.11312623
   0.41506620  0.33694578  0.24792374
   0.07078110  0.12806402  0.47299856
   0.41148178  0.10396507  0.85255400
   0.16057773  0.36455799  0.58790796
   0.36856950  0.38478177  0.75335905
   0.16564830  0.69636921  0.01086166
   0.42274761  0.58569961  0.36587434
   0.12420915  0.92860393  0.14356292
   0.35084500  0.85836759  0.27247291
   0.14466132  0.57926815  0.48051757
   0.37963138  0.63898880  0.84830879
   0.10184872  0.86584696  0.57872115
   0.37965231  0.95335806  0.67911651
   0.64732721  0.11745759  0.98776696
   0.84616203  0.15004334  0.33637329
   0.62335492  0.39935810  0.08864518
   0.89995913  0.32164719  0.15998447
   0.62714688  0.18915599  0.47721972
   0.92504955  0.10969084  0.88578765
   0.62355202  0.42578587  0.63576940
   0.78448828  0.40233465  0.82571535
   0.59749377  0.67138582 -0.01203892
   0.90928666  0.58074308  0.35224920
   0.58405108  0.89433507  0.13135674
   0.84849818  0.86543185  0.24311756
   0.68037975  0.66074199  0.46580643
   0.87951434  0.67391775  0.89710989
   0.67783304  0.93960692  0.61880694
   0.90151643  0.90185032  0.74274640
   0.17950580  0.08503983  0.11266609
   0.39568757  0.17643504  0.27415926
   0.19910860  0.32325177  0.02467830
   0.41371775  0.42785533  0.34073928
   0.55030400  0.35236030  0.18581021
   0.29238402  0.40192733  0.19105235
   0.20587532  0.12834883  0.40936358
  -0.02301999  0.20124049  0.39258517
   0.01960030 -0.02385358  0.51428762
   0.43116431  0.22575675  0.76946321
   0.10046364  0.20736063  0.56893468
   0.37593532  0.47045990  0.84459941
   0.47080741  0.44778170  0.66942100
   0.22172998  0.36569228  0.69798516
   0.28321562  0.14163500 -0.08092086
   0.03274261  0.11335239  0.96548061
   0.16785779  0.57379466  0.08681939
   0.39119525  0.69955066  0.28379225
   0.19270011  0.83377691  0.06377146
   0.37742551  0.94691193  0.36294149
   0.45255444  0.90558570  0.18639605
   0.19356463  0.87633210  0.24455564
   0.33059619  0.64839395  0.45641734
   0.07618366  0.57687274  0.38461847
   0.24435160  0.42699142  0.49299915
   0.33508202  0.69976526  0.74513308
   0.10861625  0.73647088  0.51532749
   0.37909355  0.95715445  0.79523485
   0.52001927  0.90035006  0.63402961
   0.25559068  0.88943731  0.61906808
   0.28496767  0.70472812 -0.06816314
   0.01330096  0.70097233  0.96218053
   0.62915990  0.05074528  0.10093924
   0.84207767  0.21050429  0.23568375
   0.64354000  0.27731232  0.01216100
   0.85141351  0.45309113  0.30602238
   0.04337858  0.39470373  0.17844720
   0.77091795  0.43411077  0.12608585
   0.71617078  0.20380405  0.38411186
   0.46574539  0.17627634  0.45505374
   0.68744222  0.05669527  0.54242766
   0.86847935  0.25753600  0.84320816
   0.64479123  0.30969471  0.55496092
   0.87498490  0.52094605  0.87178168
   1.04539500  0.49623496  0.56687869
   0.74042730  0.41132756  0.71614361
   0.79500486  0.05775325  0.95858413
   0.52954337  0.04795431  0.92746174
   0.53898388  0.53466799  0.04181070
   0.88998737  0.71723113  0.28726570
   0.53948974  0.79560527  0.05084581
   0.84465570  0.97731061  0.32666450
   0.95276599  0.93170300  0.15946346
   0.69302789  0.84578487  0.20814801
   0.83156316  0.61844027  0.45071663
   0.57669741  0.57810535  0.40531692
   0.63876132  0.61414275  0.58189103
   0.86300881  0.77742314  0.81228272
   0.62366920  0.82207782  0.44914326
   0.97699571  1.02616475  0.79703735
   1.00367330  0.83101694  0.67290529
   0.76337260  0.98733208  0.70900909
   0.75911933  0.70716447  0.97101945
   0.53694106  0.67766420  0.87899763
   0.74745033  0.81548948  0.58206686
   0.69518446  0.90299891  0.45612363
   0.90201570  0.24579409  0.06285458
   0.68834015  1.07977448  0.13374899
   0.36433106  0.09714725  0.63762693
   0.40600232  0.98264547  1.03219006
   0.35577945  0.60027179 -0.46125568
   0.35817190  1.01669846  0.07016457
   0.65491699  0.39202873  0.87831870
   0.55075631  0.64588601  0.59743877
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.951557    0.179624   -0.101377
    -0.000000    9.806862    0.272028
    -0.000000    0.000000   14.208707
   Si   O    H 
    32    64    10
Direct configuration=  3206
   0.17573504  0.16304062  0.00227724
   0.35996205  0.10742693  0.37397331
   0.17245959  0.41511906  0.11311919
   0.41475144  0.33693702  0.24791949
   0.07172979  0.12678559  0.47405780
   0.41127765  0.10474207  0.85223624
   0.16027606  0.36433866  0.58738776
   0.36937457  0.38543837  0.75404298
   0.16615789  0.69534452  0.01081603
   0.42290396  0.58614328  0.36620461
   0.12570513  0.92991647  0.14381608
   0.35254276  0.85856785  0.27275548
   0.14383965  0.57882652  0.48122695
   0.38049700  0.63893881  0.84772336
   0.10164801  0.86643483  0.57810110
   0.37849416  0.95277950  0.67913050
   0.64746542  0.11849800  0.98643306
   0.84568165  0.14946703  0.33598074
   0.62259106  0.40024583  0.08818877
   0.89961020  0.32230492  0.16007545
   0.62738690  0.18822660  0.47761946
   0.92472346  0.11026240  0.88529133
   0.62393564  0.42599952  0.63719658
   0.78451221  0.40279277  0.82531214
   0.59725594  0.67213810 -0.01136524
   0.90948522  0.58128216  0.35190884
   0.58431587  0.89283124  0.13118182
   0.84890984  0.86707904  0.24330815
   0.68107669  0.65996303  0.46543532
   0.87981412  0.67436064  0.89824493
   0.67663255  0.93954819  0.61934381
   0.90189141  0.90108519  0.74311882
   0.17934953  0.08514272  0.11183347
   0.39754343  0.17903530  0.27457514
   0.19789059  0.32312102  0.02389720
   0.41307163  0.42655052  0.34040992
   0.54966323  0.35197993  0.18511743
   0.29079987  0.40177235  0.19094086
   0.20773453  0.12940192  0.40904174
  -0.02320879  0.20183268  0.39336084
   0.01752748 -0.02348745  0.51368912
   0.43090379  0.22548031  0.77042018
   0.09799007  0.20715166  0.56993859
   0.37774196  0.47019420  0.84533608
   0.47106840  0.44555138  0.66987448
   0.21952745  0.36634294  0.69846193
   0.28482946  0.14115510 -0.08099453
   0.03266990  0.11351335  0.96580176
   0.16696050  0.57398854  0.08690165
   0.39015364  0.69976655  0.28409339
   0.19286217  0.83438708  0.06364989
   0.37879243  0.94570745  0.36297668
   0.45088269  0.90540041  0.18721124
   0.19531051  0.87566781  0.24357555
   0.33079578  0.64768174  0.45892000
   0.07461585  0.57824690  0.38428149
   0.24514875  0.42874754  0.49227707
   0.33446290  0.70113856  0.74465356
   0.10816381  0.73644053  0.51515905
   0.37988791  0.95712644  0.79562426
   0.51801476  0.90183385  0.63404784
   0.25519508  0.89118020  0.61922848
   0.28527190  0.70584121 -0.06869259
   0.01394193  0.69973099  0.96136244
   0.62906206  0.05046856  0.10051969
   0.84278186  0.21175349  0.23475413
   0.64415453  0.27667496  0.01328786
   0.85076646  0.45383857  0.30700444
   0.04353480  0.39384323  0.17883552
   0.77196990  0.43615878  0.12599508
   0.71613178  0.20571272  0.38451772
   0.46424854  0.17781609  0.45483894
   0.69122702  0.05663306  0.54313771
   0.86795269  0.25678411  0.84432336
   0.64574278  0.30926159  0.55529881
   0.87371225  0.52226315  0.87164597
   1.04735592  0.49542807  0.56592402
   0.74008696  0.41064150  0.71698936
   0.79601990  0.05739667  0.96001912
   0.53050601  0.04659422  0.92780367
   0.54110462  0.53658127  0.04122601
   0.89046005  0.71762275  0.28751519
   0.54059934  0.79515534  0.04990020
   0.84399722  0.97757615  0.32758052
   0.95257070  0.93267407  0.15805750
   0.69429183  0.84818171  0.20829676
   0.83241862  0.61737680  0.45018059
   0.57801415  0.57794073  0.40546472
   0.63892511  0.61446849  0.58140295
   0.86375707  0.77811301  0.81156596
   0.62435122  0.81913209  0.44878498
   0.97584786  1.02647451  0.79853531
   1.00297492  0.83020022  0.67265630
   0.76115933  0.98537153  0.70821995
   0.75838604  0.70822236  0.97282050
   0.53598348  0.67641716  0.87919568
   0.74653650  0.82153048  0.58604376
   0.70115116  0.90183298  0.45508410
   0.89519353  0.24490894  0.06525956
   0.71672408  1.10285297  0.15539161
   0.36270846  0.10218363  0.64112825
   0.40479401  0.97976687  1.03366943
   0.35623743  0.61064546 -0.48543071
   0.35831873  1.02630944  0.06993110
   0.65148616  0.39077753  0.87691972
   0.54746893  0.65433628  0.59785728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.949570    0.177136   -0.099306
    -0.000000    9.801979    0.272065
    -0.000000    0.000000   14.207855
   Si   O    H 
    32    64    10
Direct configuration=  3207
   0.17486394  0.16224731  0.00203946
   0.36207872  0.10663991  0.37395143
   0.17298210  0.41574901  0.11301812
   0.41469073  0.33681229  0.24782905
   0.07324516  0.12579106  0.47477668
   0.41164100  0.10462831  0.85204849
   0.15966306  0.36452982  0.58649098
   0.36999537  0.38559521  0.75384531
   0.16590567  0.69411668  0.01074346
   0.42324342  0.58564518  0.36648727
   0.12700947  0.93127468  0.14456077
   0.35392365  0.85891706  0.27249604
   0.14257261  0.57845721  0.48197795
   0.38099637  0.63942254  0.84707005
   0.10156593  0.86633131  0.57791826
   0.37780811  0.95240394  0.67949412
   0.64777335  0.11896983  0.98495937
   0.84511390  0.14902147  0.33558455
   0.62189507  0.40057944  0.08742471
   0.89916231  0.32396452  0.15998684
   0.62707921  0.18792177  0.47826480
   0.92375718  0.11103479  0.88457154
   0.62436031  0.42616158  0.63792306
   0.78492485  0.40289300  0.82540013
   0.59655669  0.67266146 -0.01107015
   0.91036343  0.58156350  0.35177708
   0.58502097  0.89136004  0.13146125
   0.84900876  0.86857289  0.24332476
   0.68187440  0.65994080  0.46519076
   0.88043432  0.67594375  0.89959501
   0.67539790  0.93936784  0.62010966
   0.90253662  0.90073163  0.74344458
   0.17956905  0.08572140  0.11045387
   0.39819258  0.18101492  0.27443322
   0.19694450  0.32308096  0.02296608
   0.41312480  0.42560278  0.34020092
   0.54884042  0.35149473  0.18496739
   0.28917584  0.40140195  0.19130317
   0.21014081  0.12984469  0.40882252
  -0.02338580  0.20199176  0.39367864
   0.01690341 -0.02316734  0.51302882
   0.43067537  0.22528524  0.77144830
   0.09600936  0.20743247  0.57094991
   0.37961491  0.47068805  0.84596323
   0.47128094  0.44364063  0.67097059
   0.21755763  0.36703193  0.69908946
   0.28609282  0.14066354 -0.08084023
   0.03273246  0.11394435  0.96591070
   0.16586986  0.57453746  0.08696542
   0.38965497  0.69868228  0.28471566
   0.19241074  0.83501799  0.06366734
   0.38123273  0.94502001  0.36266584
   0.44862789  0.90512362  0.18791644
   0.19664613  0.87565208  0.24275453
   0.33098383  0.64763340  0.45997611
   0.07284450  0.57938370  0.38346789
   0.24516961  0.42995805  0.49144135
   0.33368959  0.70182172  0.74387771
   0.10733498  0.73615680  0.51554364
   0.38064429  0.95737958  0.79625215
   0.51686256  0.90353481  0.63354646
   0.25456789  0.89261414  0.62002959
   0.28585052  0.70600594 -0.06898181
   0.01471094  0.69895053  0.96076617
   0.63022876  0.05023509  0.10060922
   0.84311390  0.21289487  0.23337344
   0.64396671  0.27666240  0.01394572
   0.85012198  0.45393761  0.30778583
   0.04315746  0.39305075  0.17901118
   0.77287209  0.43733583  0.12575077
   0.71576450  0.20688825  0.38483547
   0.46318517  0.17863150  0.45463272
   0.69446014  0.05812453  0.54299012
   0.86721004  0.25635578  0.84512801
   0.64638937  0.30910962  0.55598041
   0.87306444  0.52226234  0.87150661
   1.04895553  0.49491562  0.56559404
   0.74009821  0.41003315  0.71731999
   0.79662444  0.05737355  0.96112806
   0.53201658  0.04509986  0.92826419
   0.54308580  0.53796746  0.04082959
   0.89128734  0.71857134  0.28754633
   0.54097520  0.79467472  0.04906004
   0.84347653  0.97867244  0.32866131
   0.95307922  0.93340817  0.15740782
   0.69545284  0.85035367  0.20823956
   0.83319520  0.61691333  0.45043757
   0.57937133  0.57837486  0.40522199
   0.63828928  0.61314034  0.58133745
   0.86433497  0.77931375  0.81076272
   0.62486307  0.81748938  0.44801680
   0.97455279  1.02623283  0.79935614
   1.00235603  0.82924562  0.67164263
   0.75894591  0.98317925  0.70701977
   0.75669995  0.70782035  0.97451133
   0.53446834  0.67473790  0.87992142
   0.74530990  0.82865689  0.58829781
   0.69441779  0.89141255  0.45156646
   0.89193076  0.24518882  0.06916322
   0.73678870  1.11952159  0.17079772
   0.35912448  0.10177859  0.64624088
   0.39886490  0.98280824  1.03618465
   0.36879522  0.61043802 -0.48848662
   0.36292013  1.03294215  0.06454602
   0.65218956  0.39096466  0.87311141
   0.54689393  0.66383851  0.59743378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.947332    0.174221   -0.096918
    -0.000000    9.797349    0.271813
    -0.000000    0.000000   14.206705
   Si   O    H 
    32    64    10
Direct configuration=  3208
   0.17424807  0.16151722  0.00215338
   0.36391781  0.10610553  0.37385064
   0.17333046  0.41576046  0.11332422
   0.41497306  0.33728189  0.24757765
   0.07443503  0.12512529  0.47534095
   0.41069525  0.10381982  0.85164374
   0.15886468  0.36411997  0.58590588
   0.37047710  0.38493678  0.75378971
   0.16572256  0.69366517  0.01052725
   0.42348751  0.58502579  0.36658871
   0.12841968  0.93223004  0.14534833
   0.35473490  0.85921852  0.27201584
   0.14116314  0.57785398  0.48317714
   0.38050341  0.64031458  0.84657250
   0.10123450  0.86607534  0.57840304
   0.37666986  0.95247667  0.67989347
   0.64835749  0.11874702  0.98360241
   0.84462343  0.14854954  0.33512321
   0.62118628  0.40169722  0.08647991
   0.89836850  0.32641994  0.15992494
   0.62666947  0.18751978  0.47927673
   0.92216468  0.11259979  0.88408996
   0.62513895  0.42563280  0.63861434
   0.78465619  0.40268977  0.82594946
   0.59584517  0.67308970 -0.01122306
   0.91156702  0.58154818  0.35121815
   0.58604552  0.89000977  0.13169493
   0.84989696  0.87013306  0.24329329
   0.68264380  0.66061280  0.46463952
   0.88124386  0.67774402  0.90121571
   0.67394990  0.93908718  0.62072191
   0.90334362  0.90041004  0.74366831
   0.17987422  0.08663742  0.10925321
   0.39858452  0.18319205  0.27394911
   0.19574239  0.32174584  0.02176982
   0.41395771  0.42512464  0.33965869
   0.54761139  0.35062507  0.18505275
   0.28763422  0.40118092  0.19125874
   0.21268739  0.13046074  0.40839098
  -0.02327919  0.20195606  0.39406369
   0.01558390 -0.02275528  0.51204233
   0.43020427  0.22558123  0.77255395
   0.09534697  0.20847041  0.57224241
   0.38157993  0.47165689  0.84643937
   0.47134782  0.44206368  0.67167229
   0.21585831  0.36783755  0.69957462
   0.28774582  0.13972153 -0.08079423
   0.03291970  0.11348010  0.96623896
   0.16472391  0.57487210  0.08698169
   0.38992153  0.69730402  0.28559566
   0.19134278  0.83569994  0.06357329
   0.38330775  0.94417905  0.36220909
   0.44619925  0.90471514  0.18863757
   0.19815736  0.87674610  0.24269770
   0.33042276  0.64787135  0.45965111
   0.07107536  0.58069619  0.38165522
   0.24590365  0.43063005  0.49075182
   0.33247113  0.70137436  0.74360621
   0.10656351  0.73599135  0.51613180
   0.38178514  0.95801914  0.79629259
   0.51623547  0.90384837  0.63345728
   0.25325904  0.89398274  0.62031592
   0.28542804  0.70510253 -0.06903827
   0.01488202  0.69771781  0.96041897
   0.63154461  0.05060324  0.10068829
   0.84296808  0.21317174  0.23177771
   0.64288988  0.27747691  0.01464618
   0.85025798  0.45387565  0.30909988
   0.04237257  0.39199675  0.17916369
   0.77362779  0.43872460  0.12499573
   0.71554302  0.20801830  0.38558897
   0.46174052  0.17849776  0.45477394
   0.69613378  0.06024638  0.54214515
   0.86579110  0.25657548  0.84568853
   0.64671837  0.30965794  0.55624403
   0.87251372  0.52190631  0.87113375
   1.05032949  0.49449052  0.56586169
   0.73953267  0.40846099  0.71737780
   0.79780374  0.05679119  0.96178844
   0.53330732  0.04412090  0.92842533
   0.54552758  0.53856892  0.04044262
   0.89187327  0.72074962  0.28768538
   0.54156475  0.79445456  0.04807600
   0.84297650  0.97992151  0.32922514
   0.95389788  0.93306261  0.15718750
   0.69738076  0.85253881  0.20829064
   0.83428627  0.61615780  0.45147712
   0.58004216  0.57807928  0.40525692
   0.63728942  0.61125874  0.58175077
   0.86471612  0.78027044  0.80991076
   0.62558573  0.81630516  0.44713433
   0.97345069  1.02598564  0.79994582
   1.00262919  0.82881918  0.67072092
   0.75760969  0.98123192  0.70673009
   0.75553445  0.70727316  0.97600585
   0.53299382  0.67324376  0.88075176
   0.74806180  0.83180919  0.58901256
   0.68488191  0.87541322  0.44808234
   0.89252161  0.24610316  0.07370776
   0.75604312  1.13304146  0.18294928
   0.35857662  0.09986290  0.65261023
   0.39454794  0.98548289  1.03792621
   0.38833386  0.60232217 -0.47866233
   0.36819721  1.04122643  0.06051439
   0.65394974  0.39242931  0.86845586
   0.55476891  0.67058958  0.59617004
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.944853    0.171587   -0.093999
    -0.000000    9.792909    0.272013
    -0.000000    0.000000   14.205808
   Si   O    H 
    32    64    10
Direct configuration=  3209
   0.17421955  0.16064603  0.00232756
   0.36574050  0.10587076  0.37412602
   0.17399458  0.41577687  0.11322976
   0.41515720  0.33807743  0.24740856
   0.07554231  0.12499501  0.47568947
   0.40969968  0.10221569  0.85120028
   0.15798076  0.36362826  0.58487020
   0.37027286  0.38486220  0.75379600
   0.16526239  0.69360242  0.00997161
   0.42376626  0.58493113  0.36700119
   0.12936545  0.93321132  0.14611948
   0.35592281  0.85905621  0.27172318
   0.14034289  0.57713523  0.48455290
   0.38040795  0.64077536  0.84589492
   0.10028231  0.86524295  0.57893225
   0.37580906  0.95266181  0.68060829
   0.64893019  0.11865033  0.98229375
   0.84408454  0.14817479  0.33495653
   0.62107284  0.40336213  0.08546048
   0.89728181  0.32901940  0.15945912
   0.62576007  0.18730641  0.48035028
   0.91997187  0.11414539  0.88340460
   0.62598250  0.42482557  0.63902353
   0.78520558  0.40182743  0.82661413
   0.59549920  0.67353861 -0.01180408
   0.91320060  0.58104020  0.35091413
   0.58652916  0.88924052  0.13187831
   0.85065502  0.87150526  0.24374075
   0.68335852  0.66098894  0.46389386
   0.88130702  0.67904058  0.90246117
   0.67263521  0.93930727  0.62148098
   0.90465678  0.90037244  0.74361349
   0.18105950  0.08665296  0.10826265
   0.39870200  0.18540565  0.27319181
   0.19467086  0.32064557  0.02028094
   0.41448315  0.42485544  0.33923065
   0.54683822  0.34934177  0.18520884
   0.28693848  0.40082643  0.19101218
   0.21406676  0.13147190  0.40841739
  -0.02397030  0.20205375  0.39396980
   0.01363541 -0.02247283  0.51110735
   0.42986595  0.22600028  0.77355984
   0.09513934  0.20914859  0.57328001
   0.38352823  0.47239494  0.84704086
   0.47171583  0.44046123  0.67250065
   0.21438692  0.36934878  0.70038487
   0.28866087  0.13889320 -0.08074944
   0.03380887  0.11338037  0.96665723
   0.16294316  0.57407964  0.08669170
   0.39101567  0.69658507  0.28699217
   0.19060818  0.83636648  0.06393664
   0.38495362  0.94238107  0.36191159
   0.44449144  0.90451815  0.18941873
   0.19889627  0.87738504  0.24251660
   0.33065934  0.64750241  0.45949534
   0.06953045  0.58141412  0.37995554
   0.24743817  0.43057966  0.49083528
   0.33179560  0.70170302  0.74349780
   0.10600677  0.73580638  0.51596402
   0.38275632  0.95874400  0.79606136
   0.51607395  0.90461976  0.63325676
   0.25219380  0.89453238  0.62051505
   0.28528408  0.70453957 -0.06927787
   0.01536280  0.69731247  0.96019131
   0.63200870  0.05126388  0.10095731
   0.84151736  0.21278139  0.23086366
   0.64135592  0.27799078  0.01450511
   0.84969260  0.45322376  0.30996269
   0.04170350  0.39083703  0.17961910
   0.77517724  0.43999591  0.12442377
   0.71516922  0.20953065  0.38661573
   0.46128460  0.17780383  0.45493988
   0.69728495  0.06252256  0.54125482
   0.86444183  0.25706605  0.84589455
   0.64602345  0.31112758  0.55689701
   0.87204446  0.52098779  0.87034706
   1.05100438  0.49396022  0.56581177
   0.73907283  0.40730224  0.71699150
   0.79922461  0.05703949  0.96227256
   0.53397962  0.04229982  0.92848332
   0.54807320  0.53831574  0.04021963
   0.89179594  0.72370009  0.28831907
   0.54181869  0.79444970  0.04786018
   0.84310572  0.98079419  0.32968893
   0.95435573  0.93328292  0.15716787
   0.69843428  0.85446652  0.20822508
   0.83566001  0.61427159  0.45229628
   0.57978962  0.57831217  0.40544216
   0.63648559  0.60903910  0.58164993
   0.86468625  0.78099571  0.80980803
   0.62393910  0.81448855  0.44595113
   0.97136256  1.02566237  0.80006302
   1.00343285  0.82840075  0.66987833
   0.75732159  0.97914273  0.70705058
   0.75501300  0.70709716  0.97759686
   0.53213308  0.67146926  0.88140015
   0.75463605  0.82747054  0.58642296
   0.70202511  0.89628821  0.44506679
   0.89511881  0.24639315  0.07826484
   0.77049795  1.14683432  0.19337154
   0.35836320  0.09766278  0.65805289
   0.38799677  0.98513322  1.03926955
   0.39964880  0.60160364 -0.47618896
   0.37546329  1.05325377  0.05896613
   0.65766854  0.39373904  0.86623335
   0.56422410  0.67516883  0.59620866
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.941836    0.169187   -0.091118
    -0.000000    9.788530    0.272155
    -0.000000    0.000000   14.205144
   Si   O    H 
    32    64    10
Direct configuration=  3210
   0.17440220  0.15978423  0.00252820
   0.36750291  0.10612669  0.37478730
   0.17471146  0.41595822  0.11275174
   0.41558542  0.33882600  0.24694200
   0.07610293  0.12551495  0.47594305
   0.40894475  0.10017583  0.85099836
   0.15777872  0.36328265  0.58387094
   0.37097052  0.38462988  0.75332094
   0.16448067  0.69380465  0.00899961
   0.42430549  0.58444425  0.36745329
   0.13063388  0.93483965  0.14690827
   0.35682662  0.85833404  0.27147322
   0.13892910  0.57705345  0.48602732
   0.38063808  0.64117269  0.84513156
   0.09954032  0.86410754  0.57947549
   0.37482474  0.95242946  0.68138580
   0.64953494  0.11842431  0.98210044
   0.84402805  0.14759782  0.33518750
   0.62127149  0.40486340  0.08485021
   0.89617605  0.33250569  0.15836548
   0.62470546  0.18719185  0.48145297
   0.91801915  0.11553692  0.88315216
   0.62664125  0.42359603  0.63894087
   0.78653862  0.40129163  0.82693149
   0.59527178  0.67350147 -0.01266331
   0.91494016  0.58093807  0.35038469
   0.58689954  0.88882382  0.13182390
   0.85061756  0.87173367  0.24383599
   0.68389021  0.66136776  0.46273446
   0.88114892  0.68021660  0.90363660
   0.67208211  0.93893490  0.62194049
   0.90586895  0.90131889  0.74328966
   0.18124515  0.08666354  0.10721250
   0.39818417  0.18657616  0.27319385
   0.19367485  0.31991912  0.01920333
   0.41493623  0.42466541  0.33886518
   0.54615555  0.34788456  0.18482780
   0.28721721  0.40010726  0.19099531
   0.21512204  0.13205453  0.40858042
  -0.02524148  0.20177493  0.39404871
   0.01278324 -0.02177822  0.50994015
   0.42891190  0.22603223  0.77462841
   0.09509001  0.21068800  0.57375047
   0.38512395  0.47293105  0.84759444
   0.47182463  0.43955297  0.67330581
   0.21322049  0.37114265  0.70102483
   0.28925331  0.13866691 -0.08024707
   0.03467278  0.11260211  0.96690761
   0.16075635  0.57382929  0.08565812
   0.39253911  0.69530985  0.28787223
   0.18895909  0.83749345  0.06434919
   0.38743756  0.94153772  0.36211699
   0.44323500  0.90386401  0.18947302
   0.19949471  0.87853340  0.24248692
   0.33182312  0.64695832  0.45973873
   0.06897097  0.58204783  0.37857362
   0.24884781  0.42997831  0.49170495
   0.33145977  0.70173169  0.74344763
   0.10553729  0.73583397  0.51596801
   0.38306034  0.96009092  0.79569690
   0.51625451  0.90476013  0.63243494
   0.25041309  0.89533746  0.62064293
   0.28533451  0.70371207 -0.06908604
   0.01583899  0.69671107  0.96036414
   0.63201935  0.05094380  0.10053134
   0.84045022  0.21147143  0.22962252
   0.63921333  0.27840366  0.01436663
   0.84933815  0.45323439  0.31048838
   0.04095895  0.38942016  0.17981059
   0.77711542  0.44080765  0.12389910
   0.71484751  0.21083186  0.38781179
   0.46087270  0.17595774  0.45545172
   0.69780770  0.06413905  0.54069153
   0.86305906  0.25803652  0.84565892
   0.64490241  0.31258652  0.55758333
   0.87208372  0.51982199  0.86891980
   1.05143398  0.49290780  0.56573601
   0.73899630  0.40646644  0.71665230
   0.79964352  0.05733684  0.96232710
   0.53468530  0.04077904  0.92809010
   0.54983669  0.53752664  0.04043124
   0.89154319  0.72678512  0.28883779
   0.54180355  0.79450466  0.04807566
   0.84331601  0.98142009  0.33045915
   0.95548406  0.93462143  0.15725312
   0.69929625  0.85604244  0.20797162
   0.83611860  0.61301858  0.45252458
   0.57972126  0.57847899  0.40597748
   0.63561971  0.60650971  0.58240118
   0.86410874  0.78078954  0.80999176
   0.62442188  0.81383019  0.44488828
   0.97005913  1.02513733  0.79968646
   1.00346103  0.82820069  0.66925043
   0.75739768  0.97690184  0.70808211
   0.75431526  0.70584259  0.97868514
   0.53253047  0.67089648  0.88260684
   0.76216709  0.82167581  0.58030031
   0.70557371  0.90683280  0.44428669
   0.90521867  0.24483154  0.08131101
   0.78875237  1.16617762  0.20083821
   0.35914095  0.09829361  0.66158570
   0.38409866  0.98666580  1.04118714
   0.39776986  0.60482919 -0.48079216
   0.38460800  1.06397718  0.05933954
   0.65694410  0.39577033  0.86374114
   0.56973322  0.68400188  0.59976860
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.938241    0.167049   -0.087885
    -0.000000    9.784223    0.272367
    -0.000000    0.000000   14.204944
   Si   O    H 
    32    64    10
Direct configuration=  3211
   0.17482239  0.15836512  0.00278406
   0.36886542  0.10637639  0.37531932
   0.17473583  0.41595336  0.11268546
   0.41596031  0.33958244  0.24636613
   0.07695379  0.12571817  0.47579410
   0.40850654  0.09852398  0.85080040
   0.15746367  0.36324326  0.58326425
   0.37135236  0.38460824  0.75251057
   0.16464248  0.69443659  0.00743155
   0.42466373  0.58391123  0.36770926
   0.13137257  0.93591879  0.14796608
   0.35756508  0.85689495  0.27126095
   0.13684888  0.57705836  0.48701752
   0.38038049  0.64157391  0.84422281
   0.09801128  0.86293399  0.57986146
   0.37388733  0.95203306  0.68171059
   0.65100363  0.11725417  0.98226177
   0.84375098  0.14697455  0.33577707
   0.62118597  0.40532124  0.08484054
   0.89506373  0.33625867  0.15742604
   0.62342961  0.18745818  0.48267614
   0.91598908  0.11709480  0.88297134
   0.62703201  0.42286953  0.63866207
   0.78776293  0.40116161  0.82708986
   0.59504834  0.67366260 -0.01380618
   0.91644368  0.58149719  0.34993896
   0.58693165  0.88822265  0.13178833
   0.85076233  0.87187051  0.24425084
   0.68475256  0.66211269  0.46189519
   0.88113681  0.68084342  0.90470112
   0.67112022  0.93863381  0.62239017
   0.90701072  0.90218662  0.74270139
   0.18092924  0.08641487  0.10640691
   0.39748763  0.18689541  0.27322928
   0.19329173  0.32010125  0.01867267
   0.41547137  0.42513100  0.33869029
   0.54570470  0.34725070  0.18416950
   0.28835131  0.39945877  0.19030910
   0.21639905  0.13271861  0.40875472
  -0.02658130  0.20144156  0.39419190
   0.01230862 -0.02171585  0.50884029
   0.42807944  0.22598338  0.77633451
   0.09542191  0.21179321  0.57425681
   0.38663697  0.47271929  0.84806145
   0.47131249  0.43860940  0.67438165
   0.21273947  0.37305847  0.70144396
   0.28871553  0.13837428 -0.07926566
   0.03536341  0.11263221  0.96723811
   0.15869612  0.57422684  0.08483405
   0.39400845  0.69437854  0.28908366
   0.18828749  0.83823041  0.06496710
   0.39028185  0.94129752  0.36255791
   0.44264135  0.90407049  0.18870300
   0.20067764  0.87908730  0.24256357
   0.33384954  0.64630755  0.46030342
   0.06974383  0.58260971  0.37667246
   0.25001908  0.42929376  0.49313734
   0.33097673  0.70168250  0.74362989
   0.10544204  0.73534402  0.51541157
   0.38339211  0.96143879  0.79511687
   0.51630230  0.90443505  0.63226492
   0.24863037  0.89591928  0.62101368
   0.28563325  0.70284606 -0.06873838
   0.01679300  0.69638371  0.96034012
   0.63270699  0.05099710  0.10080465
   0.84147944  0.21312960  0.22994567
   0.63732565  0.27891118  0.01344514
   0.84824096  0.45288360  0.31032808
   0.04076319  0.38919169  0.18019706
   0.77822369  0.44131661  0.12323398
   0.71453512  0.21221246  0.38852739
   0.46129424  0.17444039  0.45574176
   0.69812284  0.06579529  0.54031827
   0.86163826  0.25942240  0.84561593
   0.64416999  0.31436365  0.55747455
   0.87258061  0.51950201  0.86788968
   1.05156515  0.49209945  0.56590546
   0.73914387  0.40626646  0.71652082
   0.80069900  0.05795888  0.96220825
   0.53579887  0.03985921  0.92775287
   0.55070907  0.53579078  0.04061915
   0.89187319  0.72891137  0.28902604
   0.54106096  0.79550000  0.04841075
   0.84328838  0.98255883  0.33137989
   0.95660244  0.93601450  0.15755698
   0.70013295  0.85693025  0.20792100
   0.83578298  0.61204306  0.45273851
   0.57925163  0.57842833  0.40614295
   0.63518029  0.60420137  0.58329738
   0.86248290  0.78016318  0.81027110
   0.62494839  0.81386497  0.44347836
   0.96918699  1.02490963  0.79913973
   1.00351386  0.82919500  0.66896955
   0.75898052  0.97566383  0.70948184
   0.75308686  0.70470526  0.97943170
   0.53296070  0.67143598  0.88331725
   0.76540668  0.81679187  0.57474933
   0.70087225  0.90354601  0.44489667
   0.91488662  0.24161324  0.07933592
   0.75409936  1.13673375  0.17747796
   0.36057428  0.10014348  0.66391438
   0.38261804  0.99255648  1.04539167
   0.38264220  0.61266988 -0.49035174
   0.39518357  1.06344942  0.05728760
   0.65270592  0.39911246  0.86457563
   0.57804411  0.68546340  0.60312602
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.934609    0.165409   -0.084687
    -0.000000    9.779849    0.272321
    -0.000000    0.000000   14.203973
   Si   O    H 
    32    64    10
Direct configuration=  3212
   0.17558935  0.15720250  0.00287095
   0.36985623  0.10595036  0.37638795
   0.17464117  0.41546602  0.11233068
   0.41668870  0.34047369  0.24612079
   0.07758756  0.12553361  0.47547833
   0.40812495  0.09765967  0.85072747
   0.15723351  0.36324991  0.58270002
   0.37103893  0.38466855  0.75236670
   0.16466805  0.69538806  0.00614881
   0.42477001  0.58298872  0.36782135
   0.13182254  0.93646384  0.14899960
   0.35826818  0.85470852  0.27093275
   0.13512233  0.57698768  0.48758071
   0.37955601  0.64241121  0.84332218
   0.09686759  0.86145139  0.58038956
   0.37357359  0.95240940  0.68137086
   0.65227499  0.11624239  0.98247096
   0.84373700  0.14614339  0.33634486
   0.62130381  0.40544595  0.08526512
   0.89414116  0.33980847  0.15659012
   0.62193854  0.18787658  0.48356077
   0.91413014  0.11800513  0.88313957
   0.62740800  0.42236655  0.63863656
   0.78871051  0.40132525  0.82705802
   0.59482010  0.67349556 -0.01503804
   0.91743706  0.58235809  0.34935302
   0.58623046  0.88809157  0.13179977
   0.85062046  0.87245524  0.24413306
   0.68575338  0.66318608  0.46127979
   0.88077643  0.68126200  0.90580397
   0.67111236  0.93825946  0.62265892
   0.90784959  0.90289917  0.74187236
   0.18050015  0.08565176  0.10643806
   0.39716207  0.18675969  0.27335680
   0.19285856  0.32033883  0.01837894
   0.41658210  0.42663967  0.33841210
   0.54644595  0.34719270  0.18302032
   0.28978499  0.39907190  0.18901054
   0.21685282  0.13306615  0.40865074
  -0.02783250  0.20052799  0.39415727
   0.01250627 -0.02094227  0.50846351
   0.42710110  0.22591712  0.77797304
   0.09472648  0.21320704  0.57440808
   0.38766016  0.47179936  0.84797746
   0.47069784  0.43874468  0.67453729
   0.21293862  0.37521845  0.70118400
   0.28765701  0.13858123 -0.07808223
   0.03587257  0.11235476  0.96731379
   0.15725991  0.57478782  0.08416970
   0.39402940  0.69396845  0.29014741
   0.18712441  0.83852466  0.06513381
   0.39341246  0.94093783  0.36290005
   0.44254841  0.90468583  0.18715697
   0.20199110  0.88006462  0.24362629
   0.33511913  0.64601628  0.45945271
   0.07165591  0.58281318  0.37543242
   0.25026666  0.42826628  0.49477789
   0.33048556  0.70181498  0.74405216
   0.10585368  0.73490284  0.51462735
   0.38320570  0.96273980  0.79494077
   0.51611813  0.90425209  0.63243568
   0.24750978  0.89698417  0.62119714
   0.28619950  0.70226353 -0.06839687
   0.01745820  0.69670510  0.96017865
   0.63335273  0.05079787  0.10163653
   0.84160641  0.21433578  0.22955174
   0.63578601  0.27875721  0.01222628
   0.84716111  0.45187744  0.31020727
   0.04086454  0.38886252  0.18053454
   0.77897151  0.44172038  0.12290023
   0.71444531  0.21356335  0.38916784
   0.46148751  0.17336585  0.45593826
   0.69862192  0.06674622  0.54019126
   0.86063074  0.25932827  0.84506334
   0.64322652  0.31612185  0.55667850
   0.87340951  0.51968478  0.86749265
   1.05144264  0.49131828  0.56630621
   0.73916978  0.40694234  0.71624792
   0.80248391  0.05850463  0.96145303
   0.53704083  0.03851156  0.92667119
   0.55097743  0.53359351  0.04082065
   0.89237969  0.73094901  0.28900802
   0.54043023  0.79679076  0.04925602
   0.84276802  0.98377246  0.33219563
   0.95800218  0.93716925  0.15849861
   0.70038330  0.85769547  0.20771317
   0.83496105  0.61014471  0.45306610
   0.57822658  0.57833879  0.40599406
   0.63554839  0.60263276  0.58411615
   0.86080613  0.77867038  0.81052741
   0.62579297  0.81479464  0.44270290
   0.96841505  1.02576800  0.79855049
   1.00367651  0.82989418  0.66815027
   0.76094509  0.97442967  0.71062666
   0.75232339  0.70309009  0.98019607
   0.53465640  0.67230501  0.88395871
   0.76403759  0.81796983  0.57098296
   0.68691927  0.88826237  0.44691907
   0.91920549  0.24079777  0.07812666
   0.72783880  1.11410928  0.15346883
   0.36436719  0.10206039  0.66329426
   0.37969427  0.99474581  1.05032212
   0.38302600  0.61071840 -0.48361266
   0.40051152  1.06462786  0.05601351
   0.65266462  0.40132704  0.86686355
   0.58477812  0.68283359  0.60436059
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.931071    0.163995   -0.081692
    -0.000000    9.776198    0.272350
    -0.000000    0.000000   14.202785
   Si   O    H 
    32    64    10
Direct configuration=  3213
   0.17646183  0.15620623  0.00304297
   0.37025232  0.10615493  0.37666495
   0.17413728  0.41431400  0.11211659
   0.41771659  0.34118387  0.24606496
   0.07788229  0.12552044  0.47504539
   0.40737989  0.09678630  0.85076297
   0.15784533  0.36327451  0.58241332
   0.37052073  0.38403518  0.75201868
   0.16490622  0.69568276  0.00512122
   0.42531386  0.58177548  0.36827990
   0.13229881  0.93723190  0.14940346
   0.35908661  0.85246188  0.27153631
   0.13344393  0.57689108  0.48761178
   0.37883297  0.64335415  0.84298273
   0.09541285  0.86043032  0.58094267
   0.37306410  0.95316980  0.68089334
   0.65362160  0.11540878  0.98296402
   0.84349975  0.14593654  0.33660697
   0.62189578  0.40499890  0.08610669
   0.89331498  0.34235764  0.15597006
   0.62041123  0.18889973  0.48409999
   0.91280115  0.11853822  0.88387176
   0.62741795  0.42193537  0.63880324
   0.78910336  0.40159087  0.82661751
   0.59487381  0.67328069 -0.01598784
   0.91796594  0.58356004  0.34937317
   0.58556887  0.88775475  0.13215378
   0.85061396  0.87335248  0.24408896
   0.68620252  0.66435145  0.46101544
   0.88024430  0.68209168  0.90647544
   0.67165318  0.93743999  0.62283045
   0.90818924  0.90328156  0.74134939
   0.18065400  0.08513043  0.10705236
   0.39634636  0.18555623  0.27398027
   0.19234223  0.32000335  0.01801476
   0.41668267  0.42849429  0.33821847
   0.54720814  0.34749930  0.18164889
   0.29092152  0.39826699  0.18776178
   0.21710446  0.13327037  0.40913260
  -0.02882607  0.19935427  0.39479373
   0.01345021 -0.01973296  0.50849407
   0.42633673  0.22646572  0.78002320
   0.09389998  0.21458107  0.57432941
   0.38864394  0.47017597  0.84795499
   0.47123664  0.43898230  0.67494456
   0.21411647  0.37687518  0.70097814
   0.28754182  0.13849813 -0.07739448
   0.03677600  0.11149022  0.96702399
   0.15711798  0.57532232  0.08342785
   0.39372212  0.69377546  0.29080359
   0.18553342  0.83878788  0.06556630
   0.39620760  0.93988850  0.36301597
   0.44235933  0.90561881  0.18572807
   0.20474923  0.88104612  0.24423995
   0.33639283  0.64559781  0.45906420
   0.07325547  0.58311804  0.37398858
   0.25120169  0.42733755  0.49671063
   0.32972917  0.70253965  0.74428462
   0.10596729  0.73436112  0.51369029
   0.38271105  0.96358805  0.79514228
   0.51580616  0.90290006  0.63259342
   0.24679383  0.89799477  0.62154721
   0.28672059  0.70094209 -0.06827377
   0.01841156  0.69757302  0.95964088
   0.63395431  0.05055743  0.10197521
   0.84070435  0.21508497  0.22875272
   0.63406466  0.27873309  0.01085266
   0.84635848  0.45174783  0.31074092
   0.04128188  0.38869158  0.18043405
   0.77843892  0.44217647  0.12271794
   0.71354664  0.21405255  0.38978526
   0.46150343  0.17311898  0.45676669
   0.69893000  0.06625451  0.54022374
   0.85970887  0.25865290  0.84406736
   0.64206695  0.31734850  0.55662378
   0.87397113  0.52061310  0.86761791
   1.05021540  0.49066331  0.56723175
   0.73978591  0.40817451  0.71586678
   0.80412964  0.05899424  0.96118419
   0.53847970  0.03721748  0.92540064
   0.55166571  0.53159478  0.04142104
   0.89293480  0.73159935  0.28938306
   0.53955298  0.79769405  0.04950027
   0.84254050  0.98410979  0.33294782
   0.96087732  0.93863009  0.15929264
   0.70050086  0.85841414  0.20715271
   0.83420239  0.60845245  0.45413358
   0.57706954  0.57862605  0.40578092
   0.63662661  0.60122924  0.58440931
   0.85938631  0.77682278  0.81124897
   0.62628277  0.81618752  0.44227982
   0.96782366  1.02741990  0.79866117
   1.00283462  0.83013933  0.66737527
   0.76260589  0.97326767  0.71180088
   0.75199629  0.70140772  0.98065987
   0.53600206  0.67364415  0.88470543
   0.75795808  0.82584351  0.56777959
   0.68078572  0.87621252  0.44816279
   0.92080926  0.24191960  0.07492531
   0.69628671  1.08898710  0.12835931
   0.36710736  0.10150396  0.66162777
   0.37515007  0.99195353  1.05686359
   0.38315543  0.60959895 -0.47649227
   0.40661341  1.06447621  0.05332689
   0.65813235  0.40235864  0.87275606
   0.58772291  0.68141186  0.60533728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.927326    0.163257   -0.078697
    -0.000000    9.772668    0.272418
    -0.000000    0.000000   14.201586
   Si   O    H 
    32    64    10
Direct configuration=  3214
   0.17711926  0.15499104  0.00319839
   0.36985918  0.10641408  0.37653846
   0.17373555  0.41317186  0.11216978
   0.41906968  0.34214685  0.24577060
   0.07829648  0.12506536  0.47459648
   0.40667787  0.09644903  0.85119642
   0.15902364  0.36314019  0.58225850
   0.37048056  0.38352768  0.75149256
   0.16531034  0.69594805  0.00423277
   0.42583282  0.58073304  0.36924616
   0.13302217  0.93805354  0.14958832
   0.36016146  0.85047003  0.27209541
   0.13276067  0.57657825  0.48738468
   0.37812283  0.64459507  0.84277125
   0.09451534  0.85944543  0.58147783
   0.37274651  0.95465661  0.68047728
   0.65493677  0.11472313  0.98357983
   0.84343924  0.14583452  0.33658850
   0.62247832  0.40405911  0.08742996
   0.89209977  0.34336869  0.15567077
   0.61914754  0.18954508  0.48453542
   0.91182129  0.11913546  0.88457307
   0.62796865  0.42171178  0.63874974
   0.78949040  0.40245918  0.82578155
   0.59429606  0.67301438 -0.01681856
   0.91842995  0.58449965  0.34947094
   0.58485501  0.88793114  0.13244985
   0.85138719  0.87415605  0.24421506
   0.68591520  0.66506305  0.46049147
   0.87982781  0.68256419  0.90676858
   0.67259015  0.93690959  0.62285475
   0.90822131  0.90369447  0.74112318
   0.18013444  0.08408344  0.10818064
   0.39559193  0.18389312  0.27505612
   0.19128429  0.32066379  0.01774608
   0.41688770  0.43048500  0.33799230
   0.54849064  0.34762694  0.17964623
   0.29251249  0.39756441  0.18688652
   0.21803485  0.13344305  0.40970571
  -0.02912448  0.19811217  0.39526550
   0.01482190 -0.01894302  0.50933625
   0.42599814  0.22704502  0.78229794
   0.09359742  0.21612420  0.57417621
   0.38925535  0.46919209  0.84812009
   0.47190225  0.43950376  0.67530434
   0.21545298  0.37948068  0.70042504
   0.28768988  0.13840522 -0.07718208
   0.03619294  0.10968825  0.96677890
   0.15715821  0.57530526  0.08242006
   0.39371502  0.69425796  0.29109346
   0.18366478  0.83973164  0.06610171
   0.39817809  0.93921206  0.36368063
   0.44270631  0.90717732  0.18383216
   0.20672843  0.88111263  0.24499365
   0.33739719  0.64496481  0.45847614
   0.07458523  0.58375604  0.37305945
   0.25222526  0.42665974  0.49791300
   0.32910984  0.70429256  0.74434406
   0.10553711  0.73466492  0.51226736
   0.38227869  0.96431624  0.79476806
   0.51479089  0.90158749  0.63224531
   0.24613579  0.89885598  0.62202290
   0.28734055  0.70032078 -0.06791494
   0.01868224  0.69876917  0.95904245
   0.63250970  0.04910409  0.10049098
   0.83944543  0.21509403  0.22775137
   0.63204934  0.27815385  0.00948045
   0.84624658  0.45160286  0.31118596
   0.04233780  0.38838804  0.17979752
   0.77719776  0.44332793  0.12269464
   0.71236382  0.21369436  0.39039890
   0.46148818  0.17272350  0.45758040
   0.69918489  0.06516235  0.54098967
   0.85877252  0.25930346  0.84327938
   0.64057815  0.31861967  0.55637698
   0.87487415  0.52111221  0.86740178
   1.04858044  0.48976462  0.56832330
   0.73998529  0.40987770  0.71523605
   0.80557411  0.05936131  0.96057619
   0.53991130  0.03561812  0.92407313
   0.55230974  0.52946755  0.04186749
   0.89345733  0.73169178  0.28971699
   0.53916963  0.79870527  0.04981131
   0.84239329  0.98347381  0.33385345
   0.96418728  0.93975973  0.16019923
   0.70034439  0.85879271  0.20596101
   0.83395116  0.60686711  0.45498584
   0.57648322  0.57897533  0.40500072
   0.63723437  0.60084354  0.58435924
   0.85820777  0.77469600  0.81229142
   0.62478640  0.81558679  0.44105127
   0.96717357  1.02951042  0.79904898
   1.00122903  0.83072183  0.66643793
   0.76410650  0.97263218  0.71214755
   0.75182323  0.69959910  0.98058570
   0.53724796  0.67532031  0.88525423
   0.74669601  0.83776080  0.56821931
   0.70669180  0.90649551  0.45387711
   0.91819989  0.24250364  0.07329708
   0.70683495  1.08869723  0.12748135
   0.36831909  0.10150974  0.65805939
   0.37132440  0.99660658  1.06096917
   0.37714922  0.61431608 -0.47488230
   0.40951191  1.06063268  0.05114604
   0.66031586  0.40000027  0.87738874
   0.58947196  0.67718697  0.61188692
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.923776    0.162044   -0.075560
    -0.000000    9.769320    0.272144
    -0.000000    0.000000   14.200678
   Si   O    H 
    32    64    10
Direct configuration=  3215
   0.17758929  0.15391483  0.00363402
   0.36878530  0.10601664  0.37637100
   0.17318352  0.41224098  0.11249586
   0.42051973  0.34304136  0.24538284
   0.07903249  0.12486239  0.47402812
   0.40636645  0.09719686  0.85181094
   0.16046196  0.36320063  0.58205700
   0.36943998  0.38312379  0.75094063
   0.16579602  0.69685593  0.00337287
   0.42650974  0.58016952  0.37008051
   0.13313091  0.93891022  0.14976837
   0.36133649  0.84857652  0.27318913
   0.13228525  0.57661652  0.48713550
   0.37737582  0.64579464  0.84269022
   0.09380326  0.85899923  0.58171525
   0.37244588  0.95592606  0.67966005
   0.65580334  0.11439763  0.98400982
   0.84340093  0.14596259  0.33659535
   0.62349800  0.40280078  0.08883103
   0.89081585  0.34354580  0.15575952
   0.61842011  0.19028508  0.48475963
   0.91130965  0.11983479  0.88509423
   0.62794639  0.42165420  0.63860846
   0.78888152  0.40395378  0.82499922
   0.59387080  0.67250137 -0.01678596
   0.91858008  0.58573340  0.34958600
   0.58430052  0.88770337  0.13285290
   0.85265757  0.87494765  0.24425028
   0.68544848  0.66564681  0.45997800
   0.87848819  0.68264551  0.90719541
   0.67304054  0.93681783  0.62313317
   0.90781567  0.90398786  0.74120040
   0.17931080  0.08344321  0.10915304
   0.39494059  0.18213051  0.27623706
   0.18996475  0.32165880  0.01743049
   0.41604107  0.43141113  0.33747411
   0.54982773  0.34785882  0.17780474
   0.29407335  0.39639722  0.18600710
   0.21837677  0.13280506  0.41018957
  -0.02888773  0.19665369  0.39613303
   0.01632528 -0.01827348  0.51046869
   0.42552683  0.22754636  0.78403665
   0.09310809  0.21743668  0.57323302
   0.38977477  0.46901053  0.84809935
   0.47275988  0.44020033  0.67513052
   0.21685056  0.38163837  0.69964711
   0.28763316  0.13808318 -0.07735972
   0.03493049  0.10761932  0.96564932
   0.15755772  0.57464949  0.08106390
   0.39333747  0.69547441  0.29119310
   0.18249373  0.84061306  0.06575566
   0.39967685  0.93893213  0.36403567
   0.44414954  0.90809735  0.18203851
   0.20804555  0.88112261  0.24505908
   0.33786006  0.64453535  0.45803887
   0.07645093  0.58430682  0.37194407
   0.25363896  0.42564879  0.49939816
   0.32885168  0.70666617  0.74377941
   0.10580256  0.73489445  0.51118107
   0.38191681  0.96418652  0.79451544
   0.51502341  0.90069892  0.63196226
   0.24587593  0.89979642  0.62242736
   0.28902921  0.69915906 -0.06735786
   0.01903992  0.69933597  0.95820082
   0.63027683  0.04773250  0.09890196
   0.83925615  0.21536735  0.22719140
   0.63083427  0.27725509  0.00848277
   0.84590438  0.45097393  0.31190078
   0.04318573  0.38764642  0.17868319
   0.77468813  0.44428038  0.12282437
   0.71090889  0.21337059  0.39085985
   0.46133812  0.17220289  0.45826592
   0.69897813  0.06347330  0.54155296
   0.85895768  0.25994481  0.84251270
   0.63876748  0.31837655  0.55587065
   0.87621946  0.52159195  0.86711016
   1.04710671  0.48882646  0.56954527
   0.74032898  0.41147982  0.71488979
   0.80685086  0.06006394  0.95992105
   0.54099955  0.03502231  0.92249554
   0.55252868  0.52863622  0.04194476
   0.89425240  0.73149957  0.29016336
   0.53979406  0.79915247  0.04951012
   0.84187567  0.98312193  0.33443519
   0.96710128  0.94020875  0.16123103
   0.70062411  0.85926693  0.20505801
   0.83444288  0.60549847  0.45542897
   0.57630287  0.57921746  0.40465282
   0.63817003  0.60048330  0.58431388
   0.85797568  0.77314558  0.81289808
   0.62412722  0.81506684  0.44009000
   0.96741586  1.03110344  0.79952123
   0.99937743  0.83159177  0.66558804
   0.76535920  0.97246754  0.71236172
   0.75230279  0.69838635  0.98017069
   0.53830586  0.67707521  0.88531056
   0.73606470  0.84193415  0.57143428
   0.71714941  0.91946961  0.45494442
   0.91019551  0.24706426  0.07507400
   0.72328568  1.09550788  0.13228107
   0.36801549  0.10230617  0.65397518
   0.36831804  1.00219426  1.06442660
   0.36970709  0.61898345 -0.47997222
   0.41136086  1.05905858  0.04740173
   0.66110638  0.39784017  0.88127874
   0.58753275  0.67074380  0.61919383
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920606    0.160508   -0.072023
    -0.000000    9.765826    0.272379
    -0.000000    0.000000   14.200066
   Si   O    H 
    32    64    10
Direct configuration=  3216
   0.17757119  0.15312261  0.00413678
   0.36808222  0.10565261  0.37660919
   0.17270023  0.41213283  0.11304280
   0.42142817  0.34423003  0.24471363
   0.08003317  0.12576651  0.47345096
   0.40680864  0.09771158  0.85260327
   0.16193396  0.36377252  0.58206531
   0.36843895  0.38269832  0.75055488
   0.16728763  0.69830477  0.00272212
   0.42650222  0.58023557  0.37109894
   0.13311476  0.93914785  0.14992831
   0.36213897  0.84715281  0.27414894
   0.13224895  0.57646619  0.48680006
   0.37707995  0.64649453  0.84239568
   0.09320178  0.85931739  0.58254486
   0.37264635  0.95689818  0.67905105
   0.65604724  0.11412060  0.98467665
   0.84327042  0.14718959  0.33718602
   0.62438523  0.40069003  0.09016323
   0.88949649  0.34286912  0.15633225
   0.61780927  0.19071084  0.48502527
   0.91160230  0.12072879  0.88577726
   0.62759952  0.42140188  0.63834840
   0.78783165  0.40555187  0.82443536
   0.59371348  0.67195503 -0.01629645
   0.91819637  0.58672206  0.34950254
   0.58351938  0.88758361  0.13324637
   0.85429736  0.87594376  0.24396717
   0.68479555  0.66666699  0.45917196
   0.87623037  0.68188260  0.90676868
   0.67350742  0.93681012  0.62396718
   0.90692839  0.90402011  0.74108500
   0.17884847  0.08311069  0.10963428
   0.39475600  0.18081135  0.27737541
   0.18857624  0.32272600  0.01700281
   0.41477532  0.43190719  0.33648551
   0.55049909  0.34727487  0.17624137
   0.29583133  0.39565694  0.18502177
   0.21872038  0.13150433  0.41081847
  -0.02760481  0.19631730  0.39739186
   0.01832346 -0.01819753  0.51227611
   0.42631640  0.22910064  0.78548258
   0.09203287  0.21803729  0.57196927
   0.39077112  0.46910334  0.84827362
   0.47398950  0.44095404  0.67451572
   0.21820538  0.38386546  0.69872760
   0.28798346  0.13859004 -0.07761343
   0.03439588  0.10629133  0.96460678
   0.15822038  0.57359015  0.07980110
   0.39206857  0.69578981  0.29122234
   0.18147149  0.84086154  0.06471967
   0.40076065  0.93958355  0.36462637
   0.44622301  0.90900876  0.18085939
   0.20881357  0.88122536  0.24534556
   0.33772960  0.64378882  0.45768211
   0.07776182  0.58417869  0.37136070
   0.25447868  0.42474563  0.50030408
   0.32871121  0.70867549  0.74296892
   0.10585739  0.73575150  0.51051320
   0.38198673  0.96262501  0.79418645
   0.51548370  0.89998638  0.63184153
   0.24468026  0.90180835  0.62235038
   0.29036938  0.69769927 -0.06678436
   0.01899289  0.69897117  0.95750477
   0.62917052  0.04704888  0.09828578
   0.83870543  0.21476897  0.22658185
   0.63028324  0.27572224  0.00752973
   0.84600351  0.45107309  0.31285098
   0.04422147  0.38764389  0.17726586
   0.77138436  0.44633471  0.12360335
   0.70979891  0.21304792  0.39124279
   0.46140312  0.17179153  0.45872641
   0.69922225  0.06100103  0.54246191
   0.85925345  0.25967083  0.84165847
   0.63654861  0.31825261  0.55581495
   0.87741044  0.52261470  0.86657112
   1.04561390  0.48809415  0.57081053
   0.74074392  0.41342706  0.71478278
   0.80732202  0.06054579  0.95950686
   0.54235540  0.03403747  0.92115181
   0.55276812  0.52899046  0.04186111
   0.89480168  0.73097489  0.29097676
   0.54069622  0.79889554  0.04871955
   0.84192171  0.98255533  0.33488576
   0.96934168  0.94040079  0.16286585
   0.70115278  0.85943397  0.20373664
   0.83461480  0.60484930  0.45595629
   0.57656587  0.57983709  0.40450568
   0.63887042  0.60064007  0.58424644
   0.85749849  0.77200551  0.81346244
   0.62424835  0.81471732  0.43893270
   0.96778195  1.03163547  0.80037639
   0.99742365  0.83267268  0.66531804
   0.76664168  0.97228402  0.71288269
   0.75356099  0.69803684  0.97978371
   0.53896022  0.67900145  0.88457367
   0.73170873  0.83428392  0.57240694
   0.71300759  0.91713349  0.45106696
   0.89958348  0.25338303  0.07536690
   0.72554571  1.09468473  0.13384270
   0.36776419  0.10196236  0.64897834
   0.36600415  1.00303878  1.06559513
   0.36661362  0.62291899 -0.48142426
   0.41019519  1.05909003  0.04360541
   0.66332951  0.39668549  0.88172588
   0.58645124  0.66270824  0.62335378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917371    0.158646   -0.068372
    -0.000000    9.762232    0.272235
    -0.000000    0.000000   14.199106
   Si   O    H 
    32    64    10
Direct configuration=  3217
   0.17801167  0.15276491  0.00430274
   0.36769896  0.10528360  0.37669631
   0.17252070  0.41303766  0.11319220
   0.42194952  0.34544948  0.24409577
   0.08112475  0.12691773  0.47332059
   0.40747599  0.09727169  0.85350317
   0.16309116  0.36488317  0.58273302
   0.36745050  0.38199905  0.75048315
   0.16896040  0.70026652  0.00263020
   0.42616723  0.58061730  0.37201920
   0.13304573  0.93925942  0.14960666
   0.36300566  0.84633742  0.27511307
   0.13277004  0.57649723  0.48628165
   0.37679934  0.64712653  0.84203475
   0.09377175  0.85993338  0.58279071
   0.37278468  0.95823375  0.67854974
   0.65580098  0.11352645  0.98540520
   0.84290801  0.14908077  0.33779979
   0.62547391  0.39863650  0.09082284
   0.88850204  0.34276845  0.15697204
   0.61710289  0.19053104  0.48541514
   0.91250552  0.12121158  0.88636767
   0.62711132  0.42170587  0.63800963
   0.78635546  0.40719605  0.82417016
   0.59367231  0.67133885 -0.01569794
   0.91738007  0.58787901  0.34911325
   0.58319692  0.88835372  0.13324253
   0.85612733  0.87679557  0.24328177
   0.68410645  0.66735485  0.45872882
   0.87381026  0.68058156  0.90639947
   0.67372478  0.93705178  0.62444767
   0.90591832  0.90383619  0.74132759
   0.17906404  0.08220947  0.11012358
   0.39436209  0.17990526  0.27830952
   0.18693419  0.32363761  0.01720874
   0.41335425  0.43175166  0.33521733
   0.55083980  0.34659622  0.17529039
   0.29794419  0.39527749  0.18437133
   0.21840230  0.12979127  0.41129912
  -0.02581006  0.19605860  0.39853724
   0.02042454 -0.01855331  0.51427530
   0.42749022  0.23130797  0.78635607
   0.09132369  0.21889762  0.57048941
   0.39196855  0.46932443  0.84883256
   0.47536801  0.44183373  0.67420714
   0.21924622  0.38552667  0.69718134
   0.28834776  0.13945902 -0.07765216
   0.03492910  0.10509663  0.96319028
   0.15942456  0.57265821  0.07928225
   0.39151348  0.69447509  0.29139177
   0.18047805  0.84020382  0.06386412
   0.40266821  0.94126701  0.36484624
   0.44763426  0.90948790  0.18012066
   0.20933426  0.88217195  0.24615311
   0.33731778  0.64365128  0.45677622
   0.07937358  0.58305420  0.37127510
   0.25517255  0.42435204  0.50114163
   0.32970488  0.71109040  0.74267584
   0.10554478  0.73669928  0.51059036
   0.38204074  0.96145536  0.79354069
   0.51580859  0.89951785  0.63199882
   0.24422283  0.90306597  0.62178926
   0.29204098  0.69616998 -0.06671167
   0.01870487  0.69933193  0.95669553
   0.62857370  0.04750615  0.09852371
   0.83810876  0.21387830  0.22630631
   0.63011913  0.27344503  0.00617547
   0.84585623  0.45157525  0.31379551
   0.04514694  0.38691073  0.17594434
   0.76864439  0.44850855  0.12415960
   0.70975689  0.21338934  0.39147173
   0.46168598  0.17209677  0.45899499
   0.69875719  0.05773405  0.54304979
   0.85960240  0.25953745  0.84087262
   0.63413551  0.31820108  0.55610775
   0.87869263  0.52410669  0.86636990
   1.04439877  0.48739324  0.57201410
   0.74147564  0.41520007  0.71453800
   0.80630552  0.06091661  0.95940957
   0.54334277  0.03367234  0.91978675
   0.55317424  0.52953602  0.04164879
   0.89560060  0.72994751  0.29208832
   0.54131858  0.79862033  0.04736437
   0.84220824  0.98135079  0.33490138
   0.97030970  0.94051156  0.16430425
   0.70163650  0.85869292  0.20303732
   0.83492013  0.60469299  0.45603405
   0.57735371  0.58150203  0.40445063
   0.63856419  0.60112867  0.58421550
   0.85711987  0.77120987  0.81383347
   0.62518313  0.81521850  0.43776752
   0.96892598  1.03177210  0.80107450
   0.99534682  0.83384603  0.66528240
   0.76745315  0.97202473  0.71358186
   0.75395337  0.69763349  0.97957223
   0.53904883  0.68100440  0.88348328
   0.73362208  0.81864383  0.57263004
   0.69873750  0.90277784  0.44492179
   0.89251530  0.25803609  0.07499543
   0.71737434  1.09057459  0.13272800
   0.36610547  0.10314533  0.64367463
   0.36908275  1.00688261  1.06631932
   0.37242193  0.62098356 -0.47406993
   0.40855360  1.05984386  0.03972281
   0.66518056  0.39801844  0.88025698
   0.58576253  0.65614126  0.62647660
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914372    0.157008   -0.064608
    -0.000000    9.758360    0.270965
    -0.000000    0.000000   14.197826
   Si   O    H 
    32    64    10
Direct configuration=  3218
   0.17861097  0.15237189  0.00439924
   0.36737600  0.10509640  0.37720243
   0.17211169  0.41490511  0.11310864
   0.42255854  0.34612177  0.24342594
   0.08158578  0.12774519  0.47299298
   0.40812558  0.09599492  0.85426163
   0.16392826  0.36616461  0.58328614
   0.36678013  0.38139206  0.75124229
   0.16947678  0.70223008  0.00226213
   0.42602991  0.58029523  0.37316825
   0.13259093  0.93910866  0.14946880
   0.36376702  0.84647436  0.27587136
   0.13391332  0.57620322  0.48556073
   0.37583703  0.64715804  0.84150661
   0.09484694  0.86043413  0.58280248
   0.37254453  0.95922088  0.67793079
   0.65585633  0.11293349  0.98577915
   0.84224015  0.15173145  0.33867193
   0.62690900  0.39654415  0.09090947
   0.88769122  0.34287541  0.15758498
   0.61650087  0.19066354  0.48629358
   0.91363192  0.12117033  0.88696598
   0.62691682  0.42260447  0.63710038
   0.78545092  0.40872514  0.82402444
   0.59348529  0.67084499 -0.01494059
   0.91667733  0.58822380  0.34880717
   0.58269104  0.88871595  0.13341673
   0.85786766  0.87786192  0.24239541
   0.68345525  0.66768158  0.45858202
   0.87171531  0.67912663  0.90656643
   0.67376352  0.93679387  0.62473457
   0.90509710  0.90324533  0.74238792
   0.17891152  0.08247204  0.11018081
   0.39406213  0.17953802  0.27888892
   0.18445587  0.32435116  0.01701795
   0.41177223  0.43197742  0.33391414
   0.55020661  0.34577636  0.17541228
   0.30002002  0.39526171  0.18272231
   0.21728615  0.12824279  0.41134065
  -0.02454196  0.19582426  0.39869804
   0.02177931 -0.01851507  0.51636967
   0.42938301  0.23371283  0.78646709
   0.09024737  0.21919473  0.56858049
   0.39320108  0.46998445  0.84919220
   0.47744491  0.44303233  0.67399359
   0.22044865  0.38708297  0.69594466
   0.28843964  0.13992734 -0.07710483
   0.03514702  0.10361697  0.96171449
   0.16063269  0.57147317  0.07878715
   0.39079676  0.69253608  0.29111846
   0.18022480  0.83905342  0.06310121
   0.40578147  0.94295730  0.36503250
   0.44824071  0.91050628  0.17972043
   0.21028415  0.88336286  0.24717999
   0.33656522  0.64325839  0.45663223
   0.08070817  0.58333791  0.37108410
   0.25649935  0.42408358  0.50187584
   0.33105746  0.71351683  0.74317843
   0.10527130  0.73778247  0.51079181
   0.38232258  0.96060344  0.79270174
   0.51577045  0.89975389  0.63243293
   0.24408635  0.90371321  0.62094653
   0.29281136  0.69518601 -0.06656484
   0.01867656  0.70010236  0.95559554
   0.62856388  0.04728390  0.09844396
   0.83794606  0.21296502  0.22601822
   0.62970980  0.27121291  0.00514483
   0.84627022  0.45210844  0.31476206
   0.04576010  0.38589617  0.17571996
   0.76569271  0.45058775  0.12477311
   0.70955513  0.21380498  0.39193536
   0.46225692  0.17230574  0.45928276
   0.69765838  0.05437489  0.54334976
   0.86022647  0.26005549  0.84002728
   0.63190584  0.31823662  0.55666275
   0.87953835  0.52531589  0.86645351
   1.04465540  0.48703297  0.57276655
   0.74283084  0.41764873  0.71479753
   0.80513942  0.06135798  0.95962082
   0.54466423  0.03372136  0.91859881
   0.55351762  0.53022738  0.04171658
   0.89608650  0.72897586  0.29301484
   0.54147611  0.79886277  0.04637878
   0.84245431  0.97997229  0.33462885
   0.97099028  0.94057575  0.16643516
   0.70230743  0.85867509  0.20278742
   0.83539887  0.60546307  0.45574246
   0.57859436  0.58207910  0.40489360
   0.63774337  0.60089832  0.58311060
   0.85727971  0.77068016  0.81368980
   0.62734746  0.81654372  0.43636074
   0.97006424  1.03199841  0.80115426
   0.99332706  0.83429916  0.66624751
   0.76676835  0.97230649  0.71390214
   0.75494639  0.69742266  0.98004007
   0.53807365  0.68303441  0.88215622
   0.73526892  0.80503960  0.57405426
   0.67070187  0.87822330  0.43953182
   0.88963000  0.26125770  0.07154254
   0.70001851  1.08535458  0.13111608
   0.36805252  0.10271807  0.63946725
   0.37549454  1.01298752  1.06803871
   0.37862860  0.61771188 -0.47433536
   0.40607803  1.06212646  0.03732536
   0.66459384  0.39643030  0.87925605
   0.58173989  0.65271698  0.62925599
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911685    0.156123   -0.060661
    -0.000000    9.754309    0.269342
    -0.000000    0.000000   14.196481
   Si   O    H 
    32    64    10
Direct configuration=  3219
   0.17848246  0.15319691  0.00432929
   0.36731598  0.10537539  0.37764135
   0.17222554  0.41626093  0.11320847
   0.42332474  0.34619670  0.24261030
   0.08194827  0.12875337  0.47297718
   0.40819697  0.09478100  0.85501870
   0.16389812  0.36734565  0.58412317
   0.36597322  0.38144700  0.75185299
   0.16939003  0.70377582  0.00178162
   0.42600969  0.58025826  0.37466176
   0.13241198  0.93840977  0.14920552
   0.36437880  0.84719932  0.27614335
   0.13445733  0.57586515  0.48524709
   0.37454857  0.64780646  0.84092619
   0.09625183  0.86105472  0.58263369
   0.37301456  0.96039303  0.67735511
   0.65565444  0.11167004  0.98578377
   0.84209249  0.15465392  0.33944920
   0.62843163  0.39462202  0.09100803
   0.88730686  0.34256067  0.15785628
   0.61617057  0.19067001  0.48685116
   0.91497530  0.12107932  0.88764659
   0.62634739  0.42407439  0.63638101
   0.78469216  0.41070689  0.82409798
   0.59287286  0.67100183 -0.01448130
   0.91606527  0.58790905  0.34899702
   0.58281759  0.88865562  0.13317742
   0.85979836  0.87850263  0.24173437
   0.68323751  0.66828592  0.45855295
   0.87031766  0.67749708  0.90647851
   0.67391855  0.93724463  0.62463296
   0.90434102  0.90275694  0.74406993
   0.17833758  0.08260931  0.10953045
   0.39344389  0.17962917  0.27960902
   0.18171787  0.32451155  0.01676618
   0.40977136  0.43214934  0.33279034
   0.54881825  0.34470144  0.17606862
   0.30084845  0.39520150  0.18109766
   0.21696821  0.12729644  0.41187933
  -0.02370649  0.19555511  0.39815540
   0.02385772 -0.01789991  0.51849254
   0.43085903  0.23552358  0.78614349
   0.09000144  0.22065635  0.56674665
   0.39396018  0.47152588  0.84882605
   0.47947603  0.44402421  0.67409708
   0.22185144  0.38797364  0.69509486
   0.28835153  0.13933530 -0.07738747
   0.03557807  0.10318503  0.96029552
   0.16236541  0.57079524  0.07807321
   0.38973103  0.68988987  0.29093217
   0.18067885  0.83881913  0.06271103
   0.40841635  0.94381373  0.36540318
   0.44882568  0.91096944  0.17998692
   0.21078762  0.88450602  0.24812680
   0.33614947  0.64282951  0.45697560
   0.08263248  0.58393649  0.37128003
   0.25728312  0.42363367  0.50270158
   0.33219613  0.71520260  0.74311142
   0.10523962  0.73823504  0.51109011
   0.38231550  0.95969694  0.79152091
   0.51570478  0.89976137  0.63329979
   0.24391909  0.90404915  0.62011091
   0.29233520  0.69392964 -0.06686672
   0.01886878  0.70122997  0.95409721
   0.62912175  0.04736203  0.09797392
   0.83754984  0.21180608  0.22606700
   0.62923277  0.26901601  0.00395453
   0.84704971  0.45307350  0.31555196
   0.04544975  0.38436956  0.17538332
   0.76343663  0.45351764  0.12514082
   0.70874861  0.21460302  0.39244951
   0.46260949  0.17270643  0.45976378
   0.69693761  0.05195307  0.54283053
   0.86033832  0.26059288  0.83937181
   0.62974361  0.31752199  0.55721150
   0.87984480  0.52602090  0.86614805
   1.04469143  0.48744781  0.57339989
   0.74383590  0.41918311  0.71465989
   0.80366987  0.06232666  0.95994562
   0.54500242  0.03453906  0.91758044
   0.55304832  0.53146433  0.04153943
   0.89620441  0.72912357  0.29375649
   0.54206312  0.79985675  0.04509081
   0.84265896  0.97810580  0.33409991
   0.97185896  0.94009567  0.16812587
   0.70390908  0.85775081  0.20266944
   0.83594412  0.60612572  0.45481511
   0.57882540  0.58308050  0.40531087
   0.63683894  0.60017294  0.58190351
   0.85756954  0.77106101  0.81311130
   0.62659278  0.81392880  0.43507459
   0.97158216  1.03225954  0.80094030
   0.99186925  0.83441216  0.66708917
   0.76546483  0.97281909  0.71426230
   0.75530331  0.69722748  0.98109221
   0.53660893  0.68607770  0.88016494
   0.73086545  0.79928613  0.57796634
   0.68996516  0.92661841  0.43750163
   0.88989289  0.26507797  0.07111342
   0.69315509  1.08555268  0.13741973
   0.36881536  0.10272296  0.63711544
   0.38128024  1.01253420  1.07139302
   0.38223186  0.61656001 -0.48179104
   0.40513714  1.07041837  0.03590257
   0.66070557  0.39295259  0.88048762
   0.57781019  0.65030372  0.62914666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908932    0.155465   -0.056815
    -0.000000    9.750381    0.267207
    -0.000000    0.000000   14.194823
   Si   O    H 
    32    64    10
Direct configuration=  3220
   0.17781125  0.15441397  0.00412116
   0.36771507  0.10509382  0.37834027
   0.17307310  0.41789645  0.11340841
   0.42339906  0.34544941  0.24219905
   0.08240950  0.12854006  0.47311201
   0.40883263  0.09348223  0.85530664
   0.16405819  0.36781402  0.58504777
   0.36493115  0.38155797  0.75238587
   0.16938374  0.70480536  0.00129124
   0.42573011  0.57987803  0.37562471
   0.13242996  0.93707882  0.14882672
   0.36490630  0.84811018  0.27628453
   0.13539892  0.57490417  0.48524437
   0.37414828  0.64807425  0.84060043
   0.09731931  0.86137490  0.58264922
   0.37284442  0.96129996  0.67731535
   0.65488995  0.11023635  0.98576548
   0.84182877  0.15763734  0.34052159
   0.62934371  0.39318017  0.09116799
   0.88670627  0.34279363  0.15811407
   0.61697432  0.19048040  0.48742298
   0.91643952  0.12124868  0.88794221
   0.62649696  0.42602180  0.63582657
   0.78384246  0.41298047  0.82425556
   0.59306880  0.67130416 -0.01389182
   0.91571865  0.58714240  0.34913562
   0.58268136  0.88911473  0.13244218
   0.86169517  0.87903668  0.24138027
   0.68341583  0.66982601  0.45875681
   0.86934306  0.67547673  0.90646036
   0.67406429  0.93728686  0.62454041
   0.90423550  0.90177580  0.74548646
   0.17770474  0.08289583  0.10953458
   0.39340840  0.18001032  0.27960004
   0.17947548  0.32447092  0.01676141
   0.40768884  0.43216997  0.33220951
   0.54720718  0.34400405  0.17731268
   0.30115600  0.39534116  0.17912688
   0.21638386  0.12702547  0.41240183
  -0.02340492  0.19548495  0.39739434
   0.02603515 -0.01696716  0.51987171
   0.43227903  0.23641628  0.78594151
   0.09006277  0.22160086  0.56494981
   0.39471504  0.47268281  0.84761863
   0.48079871  0.44448582  0.67431007
   0.22337962  0.38780125  0.69400287
   0.28771124  0.13836297 -0.07759806
   0.03659652  0.10319087  0.95942181
   0.16397882  0.57064039  0.07780832
   0.38905115  0.68682559  0.29093169
   0.18175096  0.83864751  0.06247786
   0.41172680  0.94440775  0.36601854
   0.44941437  0.91183404  0.18089977
   0.21006119  0.88549934  0.24901505
   0.33520684  0.64295448  0.45805744
   0.08416557  0.58470550  0.37184102
   0.25758550  0.42430675  0.50329656
   0.33293009  0.71642840  0.74271264
   0.10534406  0.73834238  0.51187705
   0.38178989  0.95894392  0.79055143
   0.51617367  0.89968390  0.63447692
   0.24414206  0.90442735  0.61929502
   0.29230119  0.69240478 -0.06683853
   0.01858858  0.70183994  0.95256509
   0.63011064  0.04663231  0.09724206
   0.83702090  0.21039794  0.22605054
   0.62834419  0.26814215  0.00280703
   0.84836420  0.45349528  0.31622237
   0.04448532  0.38276882  0.17519447
   0.76150450  0.45646081  0.12582165
   0.70776225  0.21571692  0.39329809
   0.46255003  0.17330889  0.45981418
   0.69517118  0.05047302  0.54226481
   0.86020094  0.26154737  0.83875335
   0.62830609  0.31664756  0.55748751
   0.88085600  0.52707118  0.86595064
   1.04528377  0.48857721  0.57328458
   0.74523374  0.42041716  0.71425444
   0.80169032  0.06306045  0.95999619
   0.54467081  0.03603384  0.91672581
   0.55354575  0.53211590  0.04144002
   0.89607018  0.72969728  0.29417857
   0.54229081  0.80128827  0.04428458
   0.84309041  0.97680567  0.33362351
   0.97223033  0.94024074  0.16968622
   0.70536003  0.85659235  0.20286588
   0.83604718  0.60707740  0.45410901
   0.57948793  0.58338740  0.40540063
   0.63549347  0.59895394  0.58081199
   0.85817302  0.77144455  0.81213104
   0.62661878  0.81325183  0.43323956
   0.97297842  1.03204801  0.80022044
   0.99176481  0.83371174  0.66809867
   0.76439469  0.97351861  0.71502748
   0.75545832  0.69756071  0.98190026
   0.53533974  0.68868258  0.87869151
   0.72651860  0.79838212  0.58328390
   0.70101975  0.94828680  0.43545694
   0.89015731  0.26661790  0.06748956
   0.69166511  1.08848455  0.14763849
   0.36908074  0.10669931  0.63522312
   0.39105850  1.01221738  1.07427595
   0.38103906  0.61679609 -0.49058831
   0.40434964  1.07847583  0.03706225
   0.65933727  0.39132925  0.88164574
   0.57880980  0.65082013  0.62308516
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905743    0.155208   -0.052985
    -0.000000    9.746484    0.264716
    -0.000000    0.000000   14.193315
   Si   O    H 
    32    64    10
Direct configuration=  3221
   0.17719963  0.15485696  0.00397889
   0.36809606  0.10507554  0.37907088
   0.17402415  0.41956944  0.11349528
   0.42258419  0.34467243  0.24205535
   0.08270775  0.12832996  0.47350116
   0.40990053  0.09223480  0.85579482
   0.16401991  0.36855586  0.58629444
   0.36441421  0.38187018  0.75323483
   0.16894775  0.70525569  0.00116670
   0.42524479  0.57998331  0.37602812
   0.13309123  0.93483197  0.14855013
   0.36523296  0.84869565  0.27660636
   0.13641338  0.57378078  0.48551832
   0.37421372  0.64795958  0.84050569
   0.09896129  0.86144695  0.58233811
   0.37271070  0.96253956  0.67731398
   0.65379503  0.10915019  0.98585381
   0.84126593  0.16038777  0.34137005
   0.63002141  0.39173659  0.09142192
   0.88678501  0.34312593  0.15815162
   0.61772755  0.19033184  0.48758665
   0.91850410  0.12266755  0.88828622
   0.62753610  0.42804119  0.63554979
   0.78289382  0.41528981  0.82434105
   0.59303342  0.67096843 -0.01386613
   0.91483682  0.58650331  0.34974155
   0.58287990  0.88921396  0.13117128
   0.86410704  0.87982265  0.24121684
   0.68378822  0.67127357  0.45898960
   0.86972491  0.67432025  0.90666466
   0.67440274  0.93665531  0.62478235
   0.90460720  0.90045844  0.74721861
   0.17780876  0.08401258  0.10966049
   0.39371775  0.18137966  0.27908649
   0.17758786  0.32404071  0.01699129
   0.40629561  0.43240161  0.33228923
   0.54596720  0.34277458  0.17896145
   0.30064559  0.39548692  0.17726432
   0.21586417  0.12717562  0.41286199
  -0.02301052  0.19578147  0.39669978
   0.02866863 -0.01543877  0.52118352
   0.43352743  0.23670083  0.78629946
   0.09016108  0.22201560  0.56371551
   0.39526634  0.47399833  0.84636133
   0.48055165  0.44482508  0.67481209
   0.22509520  0.38647814  0.69299326
   0.28756747  0.13780413 -0.07756620
   0.03770979  0.10337474  0.95882541
   0.16468335  0.57023045  0.07798512
   0.38865710  0.68367537  0.29075468
   0.18301200  0.83828793  0.06220529
   0.41447966  0.94474730  0.36727624
   0.44949573  0.91250805  0.18185772
   0.20878951  0.88716176  0.25033944
   0.33353350  0.64330694  0.45824669
   0.08576505  0.58502417  0.37303091
   0.25714602  0.42544873  0.50412762
   0.33388884  0.71750123  0.74225940
   0.10527573  0.73765493  0.51266030
   0.38147691  0.95858154  0.78999997
   0.51715814  0.90040596  0.63537713
   0.24474529  0.90499576  0.61922048
   0.29282251  0.69076080 -0.06713454
   0.01896597  0.70235419  0.95098746
   0.63102982  0.04674438  0.09724556
   0.83677723  0.20836702  0.22624925
   0.62804412  0.26737007  0.00218329
   0.84979083  0.45328092  0.31624196
   0.04329118  0.38106643  0.17533348
   0.76069410  0.45899267  0.12702933
   0.70736971  0.21676155  0.39403633
   0.46324740  0.17324473  0.46000335
   0.69396542  0.04962670  0.54103285
   0.86006437  0.26306335  0.83885754
   0.62719890  0.31537360  0.55762427
   0.88263569  0.52692391  0.86543194
   1.04654151  0.48969733  0.57322347
   0.74700175  0.42197355  0.71326464
   0.80071096  0.06396119  0.95974263
   0.54395587  0.03731790  0.91590013
   0.55354424  0.53213334  0.04196733
   0.89591478  0.73111273  0.29434970
   0.54258620  0.80241811  0.04348498
   0.84418472  0.97578647  0.33360474
   0.97256925  0.94050373  0.17116536
   0.70632559  0.85472712  0.20304634
   0.83612936  0.60820101  0.45306038
   0.57980224  0.58297412  0.40568409
   0.63455245  0.59785218  0.57932608
   0.85862776  0.77164566  0.81141146
   0.62816408  0.81414176  0.43209236
   0.97443729  1.03098250  0.79936200
   0.99277508  0.83343949  0.66900404
   0.76363729  0.97416356  0.71532678
   0.75580614  0.69850040  0.98267423
   0.53322129  0.69059818  0.87709623
   0.72398707  0.80425843  0.59008225
   0.70260031  0.94726333  0.43658677
   0.89178934  0.26593595  0.06351899
   0.68575717  1.09193592  0.15206684
   0.36764996  0.11016183  0.63385097
   0.39917027  1.01790586  1.07269161
   0.38986787  0.60863131 -0.48205151
   0.39930867  1.08336281  0.04190411
   0.66032078  0.39426238  0.88148343
   0.58142175  0.65936737  0.61421302
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902906    0.155866   -0.050397
    -0.000000    9.742778    0.262618
    -0.000000    0.000000   14.192268
   Si   O    H 
    32    64    10
Direct configuration=  3222
   0.17649381  0.15580204  0.00372415
   0.36835954  0.10508153  0.37970329
   0.17508033  0.42121617  0.11376998
   0.42117134  0.34333749  0.24189192
   0.08260062  0.12813015  0.47362494
   0.41101047  0.09191802  0.85659017
   0.16304740  0.36942142  0.58811306
   0.36403870  0.38274909  0.75390658
   0.16833479  0.70546386  0.00124111
   0.42457039  0.58031402  0.37616016
   0.13374967  0.93275283  0.14797099
   0.36519084  0.84919837  0.27699462
   0.13718145  0.57245712  0.48628152
   0.37531255  0.64767370  0.84050343
   0.10009585  0.86143308  0.58237284
   0.37263029  0.96352210  0.67727750
   0.65288404  0.10859657  0.98575375
   0.84109941  0.16218437  0.34225105
   0.62993602  0.39016026  0.09116267
   0.88646203  0.34315340  0.15805182
   0.61900320  0.18984259  0.48769942
   0.92014418  0.12402332  0.88824705
   0.62810309  0.43052453  0.63535343
   0.78149047  0.41693606  0.82430343
   0.59286103  0.67133839 -0.01414911
   0.91390116  0.58599113  0.35093950
   0.58344239  0.88960000  0.13022848
   0.86615669  0.87949800  0.24112817
   0.68481547  0.67231107  0.45926325
   0.87017113  0.67392383  0.90681693
   0.67471438  0.93544256  0.62530660
   0.90477658  0.89973400  0.74882194
   0.17808882  0.08510857  0.10963817
   0.39405485  0.18330262  0.27788665
   0.17538576  0.32348327  0.01747035
   0.40536814  0.43307905  0.33262520
   0.54518952  0.34153836  0.18054852
   0.30051728  0.39546567  0.17563109
   0.21581025  0.12702103  0.41326837
  -0.02287390  0.19508358  0.39591780
   0.02977151 -0.01409285  0.52126377
   0.43468591  0.23574036  0.78639943
   0.09073942  0.22274149  0.56269798
   0.39557601  0.47537604  0.84540141
   0.48014546  0.44523983  0.67520764
   0.22633737  0.38530869  0.69257571
   0.28818744  0.13788563 -0.07739654
   0.03853633  0.10408127  0.95879412
   0.16484395  0.57156000  0.07772392
   0.38825247  0.68208240  0.29021414
   0.18378309  0.83784336  0.06197900
   0.41629113  0.94432195  0.36783561
   0.44912747  0.91249766  0.18327102
   0.20743712  0.88853591  0.25166079
   0.33273542  0.64371433  0.45933195
   0.08748338  0.58466983  0.37392634
   0.25669768  0.42638915  0.50529829
   0.33476313  0.71811943  0.74127837
   0.10519665  0.73730929  0.51329968
   0.38097503  0.95818709  0.78980090
   0.51738776  0.90143703  0.63590788
   0.24474420  0.90538812  0.61921486
   0.29296235  0.68885807 -0.06778068
   0.01955898  0.70291427  0.94932940
   0.63240458  0.04735344  0.09764215
   0.83627917  0.20709415  0.22692581
   0.62789995  0.26677317  0.00179730
   0.85089487  0.45263516  0.31554004
   0.04213139  0.37963494  0.17500676
   0.76108894  0.46119064  0.12853809
   0.70747931  0.21684766  0.39436114
   0.46452410  0.17313907  0.45960648
   0.69297113  0.04931688  0.53916769
   0.86038484  0.26518884  0.83870991
   0.62584219  0.31456889  0.55812568
   0.88429026  0.52618791  0.86480940
   1.04853070  0.49024830  0.57259814
   0.74864727  0.42297596  0.71236868
   0.80019774  0.06458628  0.95937017
   0.54346358  0.03864964  0.91532845
   0.55419844  0.53222059  0.04251059
   0.89531253  0.73294827  0.29362332
   0.54304513  0.80355979  0.04243653
   0.84537188  0.97595462  0.33367708
   0.97347081  0.94069986  0.17209867
   0.70717624  0.85313003  0.20296394
   0.83597718  0.60919447  0.45162956
   0.57968006  0.58287263  0.40569097
   0.63455351  0.59686558  0.57758994
   0.85893991  0.77237811  0.81084239
   0.63004331  0.81638737  0.43086542
   0.97519718  1.02927714  0.79862491
   0.99469637  0.83291116  0.66998269
   0.76232471  0.97486721  0.71515222
   0.75654877  0.69991393  0.98344221
   0.53150826  0.69204781  0.87613232
   0.72370191  0.81423093  0.59262156
   0.69304021  0.92605180  0.43777672
   0.89220903  0.26669113  0.06161700
   0.67621624  1.09205552  0.14947181
   0.36841725  0.10993306  0.63304558
   0.40682651  1.02188524  1.07033150
   0.39349168  0.60289262 -0.48070563
   0.39663068  1.08949436  0.04827677
   0.65957438  0.40400889  0.87874575
   0.57831052  0.67599159  0.61137579
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900324    0.156368   -0.047044
    -0.000000    9.739292    0.259975
    -0.000000    0.000000   14.191104
   Si   O    H 
    32    64    10
Direct configuration=  3223
   0.17620957  0.15746470  0.00350645
   0.36852570  0.10558585  0.38004951
   0.17613768  0.42272081  0.11378163
   0.41975025  0.34143237  0.24188831
   0.08245840  0.12761652  0.47381434
   0.41219166  0.09177894  0.85706840
   0.16272039  0.37000673  0.58969989
   0.36447374  0.38363196  0.75444866
   0.16759955  0.70535802  0.00149957
   0.42371964  0.58038745  0.37604945
   0.13431370  0.93066510  0.14773507
   0.36517185  0.85008060  0.27755917
   0.13778393  0.57139370  0.48714651
   0.37709803  0.64746992  0.84020805
   0.10129572  0.86096072  0.58267771
   0.37263502  0.96452622  0.67706816
   0.65198318  0.10867242  0.98564321
   0.84133774  0.16292402  0.34330742
   0.62879942  0.38894387  0.09050901
   0.88662330  0.34307733  0.15781236
   0.62098026  0.18905886  0.48821926
   0.92138331  0.12517870  0.88822243
   0.62848619  0.43294284  0.63541779
   0.78026504  0.41843947  0.82417207
   0.59309017  0.67114223 -0.01419127
   0.91365100  0.58576850  0.35212740
   0.58369895  0.89002009  0.12964086
   0.86760789  0.87898241  0.24118805
   0.68579927  0.67305427  0.45961816
   0.87029134  0.67420573  0.90703765
   0.67467005  0.93437453  0.62550629
   0.90522436  0.89965788  0.75045433
   0.17836361  0.08675883  0.10993326
   0.39463339  0.18552107  0.27661729
   0.17350975  0.32293757  0.01800316
   0.40493903  0.43351328  0.33306346
   0.54483145  0.33953410  0.18176053
   0.30051870  0.39495818  0.17425371
   0.21681717  0.12684088  0.41328856
  -0.02308727  0.19460687  0.39554044
   0.03155154 -0.01255604  0.52133721
   0.43601984  0.23391194  0.78719482
   0.09161638  0.22380271  0.56197673
   0.39567993  0.47762936  0.84417556
   0.47917194  0.44649165  0.67524497
   0.22756176  0.38391144  0.69273135
   0.28891063  0.13816271 -0.07701008
   0.03899803  0.10448637  0.95893218
   0.16516927  0.57338252  0.07739102
   0.38799735  0.68115628  0.28991861
   0.18436760  0.83803239  0.06140316
   0.41835385  0.94304458  0.36869619
   0.44896588  0.91263628  0.18506413
   0.20659939  0.89003033  0.25289953
   0.33271666  0.64399957  0.46145735
   0.08898196  0.58446587  0.37496937
   0.25663341  0.42741141  0.50603163
   0.33522482  0.71837007  0.74043441
   0.10504088  0.73720989  0.51407640
   0.37947377  0.95850292  0.79052059
   0.51745937  0.90266466  0.63612807
   0.24550313  0.90569522  0.61891658
   0.29275759  0.68750371 -0.06896856
   0.01971681  0.70371573  0.94751744
   0.63376628  0.04800125  0.09845051
   0.83573904  0.20637012  0.22712108
   0.62747130  0.26727398  0.00208857
   0.85175290  0.45126057  0.31457976
   0.04164557  0.37858498  0.17437585
   0.76203025  0.46334056  0.13009198
   0.70830874  0.21664110  0.39454171
   0.46594586  0.17351979  0.45936132
   0.69206501  0.04869718  0.53737282
   0.86123726  0.26758022  0.83836098
   0.62436169  0.31464976  0.55865470
   0.88519787  0.52479442  0.86431091
   1.05019459  0.49040395  0.57216213
   0.75001541  0.42395040  0.71205394
   0.79933363  0.06432206  0.95920480
   0.54340186  0.04039531  0.91513611
   0.55594667  0.53299129  0.04316884
   0.89477258  0.73396262  0.29304994
   0.54311893  0.80491960  0.04130965
   0.84584844  0.97637609  0.33400163
   0.97446806  0.94090539  0.17235000
   0.70764078  0.85207169  0.20276502
   0.83576806  0.61063148  0.45051756
   0.57888550  0.58197024  0.40602468
   0.63449182  0.59595347  0.57608424
   0.85922701  0.77312540  0.81036317
   0.63266622  0.81988879  0.43005520
   0.97632914  1.02756847  0.79814603
   0.99667304  0.83338907  0.67088532
   0.76105932  0.97669039  0.71448828
   0.75690247  0.70150837  0.98389225
   0.53032945  0.69281654  0.87566035
   0.72842761  0.81902596  0.59069639
   0.67474545  0.88744763  0.43766207
   0.89246990  0.27060764  0.06229516
   0.66881535  1.09538211  0.14477891
   0.36885259  0.10451659  0.63214669
   0.41028078  1.02316385  1.06853102
   0.38970053  0.59875270 -0.48609454
   0.39337083  1.09877727  0.05349382
   0.65608033  0.41611386  0.87823537
   0.58134519  0.68369822  0.60713004
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897395    0.156363   -0.044156
    -0.000000    9.736153    0.257387
    -0.000000    0.000000   14.189958
   Si   O    H 
    32    64    10
Direct configuration=  3224
   0.17621075  0.15974302  0.00303528
   0.36874711  0.10563787  0.38063336
   0.17755965  0.42384133  0.11335550
   0.41796883  0.33950236  0.24205481
   0.08232436  0.12655173  0.47351731
   0.41276828  0.09153413  0.85739135
   0.16203602  0.37039970  0.59095589
   0.36516434  0.38469890  0.75464061
   0.16674267  0.70431708  0.00186458
   0.42325284  0.58051470  0.37613716
   0.13470595  0.92917624  0.14802454
   0.36542786  0.85133595  0.27833324
   0.13887905  0.57036393  0.48800710
   0.37874393  0.64745422  0.83964138
   0.10249724  0.85992788  0.58333767
   0.37311614  0.96508109  0.67699486
   0.65126309  0.10855604  0.98591350
   0.84146461  0.16342636  0.34415030
   0.62760452  0.38838133  0.08996632
   0.88664333  0.34321318  0.15749765
   0.62256455  0.18810801  0.48907719
   0.92190776  0.12611493  0.88747607
   0.62865609  0.43546402  0.63513922
   0.77923577  0.41981544  0.82410834
   0.59311055  0.67122248 -0.01429255
   0.91366099  0.58549387  0.35331363
   0.58466795  0.89009038  0.12949681
   0.86837786  0.87788354  0.24166178
   0.68681043  0.67343972  0.46022140
   0.87079438  0.67483449  0.90708701
   0.67442736  0.93293623  0.62540962
   0.90578057  0.89966585  0.75128483
   0.17818746  0.08721241  0.11021443
   0.39422328  0.18867017  0.27558540
   0.17196361  0.32282376  0.01884871
   0.40442450  0.43381887  0.33375666
   0.54577139  0.33752513  0.18283365
   0.30212396  0.39428225  0.17375443
   0.21738874  0.12586767  0.41336950
  -0.02358046  0.19495355  0.39525523
   0.03341924 -0.01118504  0.52074757
   0.43721498  0.23217898  0.78830175
   0.09252472  0.22514775  0.56200753
   0.39524636  0.47911288  0.84307973
   0.47769194  0.44771630  0.67512974
   0.22913578  0.38305670  0.69329281
   0.28941553  0.13887459 -0.07709960
   0.03936479  0.10519613  0.95933574
   0.16548424  0.57603016  0.07709117
   0.38787747  0.68070114  0.28902693
   0.18556560  0.83826287  0.06092490
   0.41970461  0.94193851  0.36880531
   0.44893354  0.91234870  0.18697645
   0.20595724  0.89160262  0.25351298
   0.33177781  0.64344826  0.46342676
   0.09053497  0.58373861  0.37598991
   0.25612187  0.42800360  0.50605829
   0.33568080  0.71850246  0.73926773
   0.10575838  0.73711483  0.51432114
   0.37788614  0.95911697  0.79136878
   0.51672342  0.90362019  0.63629072
   0.24616806  0.90552010  0.61901078
   0.29152609  0.68602536 -0.06899849
   0.02015423  0.70502227  0.94578872
   0.63390100  0.04824313  0.09797047
   0.83507762  0.20578827  0.22751370
   0.62598765  0.26784146  0.00247556
   0.85203661  0.44968181  0.31342645
   0.04073354  0.37824414  0.17421864
   0.76381228  0.46470084  0.13069012
   0.70950520  0.21609923  0.39429683
   0.46691829  0.17311537  0.45940749
   0.69086647  0.04818931  0.53573118
   0.86149235  0.26937647  0.83734688
   0.62284135  0.31440756  0.55948996
   0.88597698  0.52329709  0.86359778
   1.05100457  0.48992381  0.57168111
   0.75148292  0.42496165  0.71166280
   0.79920144  0.06344813  0.95860681
   0.54407702  0.04255458  0.91539396
   0.55706176  0.53290675  0.04392132
   0.89423810  0.73466706  0.29244615
   0.54314629  0.80648867  0.04054887
   0.84648935  0.97768118  0.33429227
   0.97571372  0.94099861  0.17192438
   0.70866435  0.85176407  0.20221705
   0.83491195  0.61154905  0.44980531
   0.57815589  0.58026565  0.40637303
   0.63428707  0.59667146  0.57475437
   0.85962933  0.77267398  0.81067603
   0.63379211  0.81997366  0.42891845
   0.97714361  1.02637316  0.79812945
   0.99874363  0.83401112  0.67192692
   0.75953416  0.97776598  0.71428240
   0.75727009  0.70297721  0.98427169
   0.53099494  0.69312854  0.87503913
   0.73745517  0.81373610  0.58427357
   0.69409524  0.90395481  0.44333654
   0.89255120  0.27447677  0.06374801
   0.67326861  1.11399205  0.15517165
   0.36829397  0.10090034  0.63376435
   0.41138575  1.02841814  1.06520517
   0.38139952  0.60145003 -0.49179750
   0.39554206  1.10825469  0.06039000
   0.65354496  0.42625771  0.87919415
   0.58673925  0.68035698  0.60212883
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894094    0.156356   -0.041803
    -0.000000    9.733020    0.255100
    -0.000000    0.000000   14.188467
   Si   O    H 
    32    64    10
Direct configuration=  3225
   0.17695748  0.16144013  0.00294126
   0.36969320  0.10565153  0.38091498
   0.17798626  0.42485364  0.11278996
   0.41557787  0.33711055  0.24232804
   0.08191314  0.12594548  0.47316162
   0.41268552  0.09110728  0.85753605
   0.16092990  0.37021082  0.59193952
   0.36603577  0.38577338  0.75417785
   0.16549027  0.70328551  0.00187267
   0.42316823  0.58085950  0.37620361
   0.13474051  0.92799289  0.14846038
   0.36540512  0.85191938  0.27927080
   0.14008876  0.56950284  0.48865867
   0.38045584  0.64760167  0.83940208
   0.10282309  0.85917617  0.58405410
   0.37386485  0.96560184  0.67707824
   0.65083841  0.10834660  0.98640872
   0.84223220  0.16366778  0.34459100
   0.62611684  0.38799130  0.08938262
   0.88618255  0.34330339  0.15717248
   0.62453894  0.18696936  0.48986096
   0.92201626  0.12660377  0.88670491
   0.62791461  0.43852580  0.63495972
   0.77882738  0.42058190  0.82419742
   0.59325105  0.67166564 -0.01490602
   0.91428509  0.58546594  0.35432058
   0.58547725  0.89013505  0.12973747
   0.86841619  0.87696100  0.24224273
   0.68793074  0.67404964  0.46064239
   0.87160885  0.67548300  0.90673837
   0.67456376  0.93162629  0.62513416
   0.90675586  0.89998151  0.75161981
   0.17821756  0.08821912  0.11030859
   0.39373685  0.19053251  0.27528066
   0.17002698  0.32266285  0.01982022
   0.40308566  0.43373134  0.33453512
   0.54699799  0.33479710  0.18348557
   0.30313943  0.39494172  0.17275665
   0.21763096  0.12528572  0.41380929
  -0.02383619  0.19581073  0.39484630
   0.03526604 -0.01055079  0.51997319
   0.43757744  0.23110598  0.78985766
   0.09229750  0.22652218  0.56277092
   0.39434197  0.48070961  0.84204426
   0.47626951  0.44868633  0.67536969
   0.23017146  0.38141184  0.69438286
   0.28954670  0.13918975 -0.07677044
   0.03935136  0.10523956  0.95992569
   0.16610865  0.57778046  0.07685912
   0.38718780  0.68103619  0.28762921
   0.18705272  0.83867306  0.06031064
   0.42017921  0.94111598  0.36824854
   0.44821231  0.91256139  0.18911819
   0.20545522  0.89347645  0.25328130
   0.32986962  0.64354487  0.46395659
   0.09103655  0.58315925  0.37722348
   0.25529045  0.42893059  0.50610855
   0.33609290  0.71815374  0.73821650
   0.10654229  0.73699152  0.51429439
   0.37645634  0.96091162  0.79261164
   0.51600698  0.90434968  0.63613765
   0.24674907  0.90487293  0.61940110
   0.28994334  0.68410718 -0.06788339
   0.02071201  0.70619006  0.94468894
   0.63419669  0.04876363  0.09839321
   0.83421325  0.20613430  0.22733702
   0.62435307  0.26829794  0.00323932
   0.85153334  0.44884011  0.31245819
   0.04050461  0.37894761  0.17413385
   0.76506313  0.46572312  0.13126443
   0.71021843  0.21581479  0.39426088
   0.46727836  0.17202414  0.45924736
   0.68939434  0.04766885  0.53472556
   0.86209086  0.27074404  0.83688574
   0.62185897  0.31513007  0.55996476
   0.88644477  0.52229939  0.86264835
   1.05173152  0.48974051  0.57090724
   0.75302335  0.42609507  0.71161886
   0.79933499  0.06332000  0.95797688
   0.54589732  0.04432137  0.91633201
   0.55866306  0.53226509  0.04467836
   0.89426384  0.73453300  0.29220438
   0.54291483  0.80795962  0.04004308
   0.84750342  0.98042718  0.33421168
   0.97693930  0.94155847  0.17110640
   0.70896754  0.85183260  0.20158179
   0.83436636  0.61283028  0.44960862
   0.57856033  0.58004878  0.40624827
   0.63407090  0.59743060  0.57345589
   0.85942995  0.77213526  0.81146315
   0.63469406  0.82048625  0.42806515
   0.97756373  1.02584681  0.79866079
   1.00007266  0.83461710  0.67263533
   0.75831726  0.97830736  0.71407647
   0.75697551  0.70436050  0.98494748
   0.53278983  0.69375765  0.87467656
   0.74757879  0.80708897  0.57783452
   0.70576834  0.91121578  0.44869179
   0.89179274  0.27812972  0.06775021
   0.67275404  1.12322919  0.15690424
   0.36762738  0.10242291  0.63577067
   0.40931907  1.03568803  1.06104252
   0.39093847  0.59065696 -0.47749298
   0.39883270  1.10980438  0.06581800
   0.65507516  0.43586221  0.88215080
   0.59114168  0.67222934  0.59861254
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891184    0.155823   -0.039618
    -0.000000    9.730285    0.252348
    -0.000000    0.000000   14.187257
   Si   O    H 
    32    64    10
Direct configuration=  3226
   0.17724090  0.16291332  0.00336143
   0.37073996  0.10583457  0.38049193
   0.17725857  0.42547155  0.11194416
   0.41358289  0.33554519  0.24286021
   0.08174237  0.12584920  0.47273749
   0.41265249  0.09090350  0.85777281
   0.16006637  0.36935484  0.59317479
   0.36636147  0.38698452  0.75384142
   0.16401246  0.70320447  0.00173973
   0.42321804  0.58088624  0.37594000
   0.13513275  0.92734148  0.14894951
   0.36503944  0.85263159  0.28055511
   0.14201116  0.56981201  0.48879342
   0.38247315  0.64761965  0.83868301
   0.10316393  0.85848619  0.58483662
   0.37444138  0.96680759  0.67734521
   0.65063202  0.10801408  0.98714962
   0.84295108  0.16328153  0.34483706
   0.62454895  0.38790035  0.08886482
   0.88523618  0.34304515  0.15701702
   0.62600939  0.18586826  0.49035511
   0.92171482  0.12684586  0.88587197
   0.62693118  0.44125106  0.63452008
   0.77922806  0.42015901  0.82403145
   0.59306320  0.67185095 -0.01579223
   0.91485486  0.58564304  0.35493466
   0.58617528  0.89020017  0.13042283
   0.86814922  0.87665200  0.24339258
   0.68897995  0.67400271  0.46064475
   0.87241287  0.67611852  0.90626773
   0.67489215  0.93077316  0.62455967
   0.90831787  0.90058024  0.75189880
   0.17789426  0.08927835  0.11028181
   0.39387335  0.19142351  0.27530570
   0.16801663  0.32261448  0.02080530
   0.40157001  0.43262479  0.33492633
   0.54943346  0.33208201  0.18392657
   0.30489235  0.39549355  0.17174753
   0.21833933  0.12463974  0.41431244
  -0.02383768  0.19584033  0.39451116
   0.03633743 -0.00977178  0.51923386
   0.43794528  0.23051264  0.79147745
   0.09243990  0.22765059  0.56403346
   0.39284769  0.48132564  0.84157665
   0.47572959  0.44942719  0.67671206
   0.23030197  0.37962125  0.69553911
   0.28873436  0.13913916 -0.07658015
   0.04003396  0.10534484  0.96136713
   0.16717411  0.57878736  0.07645510
   0.38694435  0.68221964  0.28658282
   0.18740403  0.83889235  0.06002343
   0.42030526  0.94006123  0.36780011
   0.44784032  0.91344539  0.19085977
   0.20517989  0.89496703  0.25272767
   0.32880629  0.64416828  0.46529012
   0.09070579  0.58234905  0.37822466
   0.25487883  0.43030985  0.50579801
   0.33691757  0.71747377  0.73746554
   0.10742926  0.73620705  0.51405062
   0.37554982  0.96269782  0.79431647
   0.51541123  0.90451106  0.63593369
   0.24819646  0.90260917  0.61952437
   0.28813072  0.68154355 -0.06707410
   0.02111209  0.70736995  0.94367804
   0.63430729  0.05047982  0.09933703
   0.83369338  0.20628230  0.22730542
   0.62258473  0.26958847  0.00451144
   0.85078972  0.44812370  0.31205692
   0.04078482  0.38065209  0.17397387
   0.76640628  0.46591231  0.13140371
   0.71063685  0.21592507  0.39451727
   0.46795099  0.17101484  0.45907118
   0.68771926  0.04671189  0.53383570
   0.86214437  0.27121035  0.83642871
   0.62162240  0.31566540  0.56004460
   0.88755391  0.52258472  0.86193045
   1.05263951  0.48968946  0.57038045
   0.75486381  0.42715745  0.71151314
   0.79887804  0.06319751  0.95796773
   0.54773090  0.04557825  0.91749768
   0.55989985  0.53218300  0.04553165
   0.89504160  0.73345946  0.29209245
   0.54252687  0.80932859  0.04014938
   0.84745211  0.98320535  0.33494315
   0.97750434  0.94203554  0.16988716
   0.70883191  0.85274397  0.20107201
   0.83401816  0.61411191  0.44952797
   0.57953853  0.58009325  0.40532582
   0.63433962  0.59690808  0.57223381
   0.85860314  0.77190326  0.81259753
   0.63554691  0.82228349  0.42709888
   0.97761440  1.02600741  0.79968739
   1.00158245  0.83511227  0.67348358
   0.75715116  0.97914080  0.71410278
   0.75604199  0.70556963  0.98522606
   0.53475498  0.69391813  0.87422226
   0.75685321  0.80499880  0.57183859
   0.70722705  0.90667778  0.44824304
   0.88937444  0.27923705  0.06766023
   0.66889697  1.11952511  0.15063592
   0.36965797  0.11000107  0.63909447
   0.40766671  1.03674378  1.05655385
   0.39305130  0.58900526 -0.47027824
   0.40195273  1.11509302  0.06883248
   0.65891038  0.44486559  0.88376743
   0.57926214  0.67900568  0.60426161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888163    0.155286   -0.037255
    -0.000000    9.727160    0.250100
    -0.000000    0.000000   14.185513
   Si   O    H 
    32    64    10
Direct configuration=  3227
   0.17726012  0.16420328  0.00384347
   0.37197451  0.10545299  0.38036477
   0.17580687  0.42569588  0.11127944
   0.41224491  0.33457303  0.24385593
   0.08209321  0.12627085  0.47233668
   0.41246276  0.09001930  0.85795426
   0.15967047  0.36858428  0.59410063
   0.36753411  0.38736968  0.75362709
   0.16254672  0.70356574  0.00172148
   0.42329075  0.58142453  0.37556296
   0.13556005  0.92688580  0.14936825
   0.36465049  0.85390285  0.28138271
   0.14353848  0.57052461  0.48891138
   0.38456004  0.64875849  0.83806236
   0.10361890  0.85841748  0.58558594
   0.37512884  0.96741658  0.67750269
   0.65078852  0.10838569  0.98773955
   0.84366701  0.16293529  0.34437110
   0.62292520  0.38835937  0.08824533
   0.88441033  0.34261771  0.15701027
   0.62728164  0.18480163  0.49039291
   0.92124997  0.12648333  0.88488812
   0.62612803  0.44396350  0.63395419
   0.77931487  0.41955524  0.82399863
   0.59288609  0.67242504 -0.01728394
   0.91566885  0.58614670  0.35521793
   0.58707397  0.89025123  0.13120814
   0.86755583  0.87605029  0.24455979
   0.68937339  0.67381380  0.46036734
   0.87344484  0.67750535  0.90596762
   0.67529298  0.93057544  0.62383926
   0.90981992  0.90074422  0.75163928
   0.17822775  0.08958483  0.11033399
   0.39389156  0.18890026  0.27558186
   0.16565184  0.32287441  0.02202770
   0.39998907  0.43153895  0.33523533
   0.55195821  0.33042028  0.18458899
   0.30694699  0.39626522  0.17126715
   0.21896697  0.12327799  0.41474304
  -0.02305483  0.19659735  0.39510412
   0.03751617 -0.00902530  0.51928514
   0.43815807  0.23095475  0.79320959
   0.09185211  0.22832985  0.56543550
   0.39065237  0.48197189  0.84144897
   0.47565881  0.44961470  0.67787544
   0.23079405  0.37684513  0.69732308
   0.28858297  0.13883662 -0.07589017
   0.04091008  0.10552169  0.96295535
   0.16819177  0.58049468  0.07637569
   0.38698201  0.68340375  0.28567000
   0.18720418  0.83891813  0.06005711
   0.41940266  0.93919811  0.36757726
   0.44811712  0.91383922  0.19237419
   0.20517883  0.89597083  0.25216854
   0.32811530  0.64374335  0.46646618
   0.08950229  0.58254783  0.37916152
   0.25429875  0.43147236  0.50553214
   0.33768297  0.71679193  0.73696072
   0.10765895  0.73502277  0.51444329
   0.37414551  0.96347635  0.79569637
   0.51531636  0.90485336  0.63554706
   0.24955314  0.90104078  0.62008308
   0.28653623  0.67999238 -0.06644180
   0.02208801  0.70795686  0.94292066
   0.63425433  0.05261557  0.10030755
   0.83339415  0.20637705  0.22688853
   0.62139672  0.27113969  0.00574704
   0.84939613  0.44703500  0.31170441
   0.04141165  0.38263258  0.17383734
   0.76788523  0.46575022  0.13096228
   0.71041436  0.21634738  0.39510069
   0.46926429  0.17031286  0.45918138
   0.68581283  0.04574377  0.53384737
   0.86195305  0.27100428  0.83603036
   0.62127139  0.31634489  0.56063950
   0.88916620  0.52360251  0.86170967
   1.05289211  0.49003969  0.56956833
   0.75612458  0.42810699  0.71092020
   0.79910745  0.06285203  0.95767438
   0.54929759  0.04685714  0.91857628
   0.56059986  0.53154581  0.04595137
   0.89585656  0.73231347  0.29225645
   0.54115691  0.81012895  0.04068741
   0.84723190  0.98628559  0.33554973
   0.97747760  0.94244088  0.16854746
   0.70849596  0.85279438  0.20020704
   0.83396357  0.61519204  0.44975924
   0.57996901  0.58042110  0.40467077
   0.63457034  0.59596459  0.57122761
   0.85709610  0.77201151  0.81337758
   0.63668878  0.82456700  0.42652582
   0.97778581  1.02608969  0.80066946
   1.00302628  0.83599056  0.67415705
   0.75596042  0.97991175  0.71430515
   0.75482892  0.70633399  0.98484764
   0.53724429  0.69448983  0.87427174
   0.76036962  0.80987728  0.56798300
   0.69998393  0.89464172  0.44381161
   0.88861745  0.27842721  0.06343411
   0.66151864  1.10654856  0.13849659
   0.37065631  0.11577007  0.64199210
   0.40627289  1.03917203  1.05457402
   0.38675116  0.59680954 -0.46938777
   0.40798055  1.11951107  0.07018790
   0.66578663  0.45039631  0.88520311
   0.57307356  0.67800279  0.60910558
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885553    0.154385   -0.035304
    -0.000000    9.723835    0.247927
    -0.000000    0.000000   14.183521
   Si   O    H 
    32    64    10
Direct configuration=  3228
   0.17765683  0.16480636  0.00489467
   0.37345716  0.10482336  0.38005901
   0.17430189  0.42572737  0.11101715
   0.41116735  0.33407340  0.24490421
   0.08254477  0.12771330  0.47191316
   0.41189891  0.08946249  0.85802569
   0.15904119  0.36827973  0.59487341
   0.36895238  0.38780484  0.75355510
   0.16117463  0.70316863  0.00144742
   0.42324235  0.58187591  0.37499954
   0.13625005  0.92692045  0.14961817
   0.36498055  0.85451051  0.28212148
   0.14460568  0.57105398  0.48855335
   0.38588969  0.65044081  0.83761155
   0.10389715  0.85892369  0.58599421
   0.37483619  0.96773987  0.67746494
   0.65139767  0.10931401  0.98848611
   0.84421616  0.16225793  0.34339343
   0.62185281  0.38893502  0.08766710
   0.88297853  0.34288820  0.15663718
   0.62795356  0.18428213  0.48999548
   0.92064625  0.12639228  0.88456908
   0.62509650  0.44563056  0.63311786
   0.77914429  0.41895449  0.82380239
   0.59324740  0.67288298 -0.01886511
   0.91680410  0.58644368  0.35496738
   0.58868269  0.88965305  0.13214826
   0.86719859  0.87590164  0.24602569
   0.68862628  0.67336315  0.46020499
   0.87451247  0.67877587  0.90569829
   0.67555620  0.93011117  0.62286240
   0.91033816  0.90059134  0.75048977
   0.17916362  0.08958196  0.11018231
   0.39341082  0.18493585  0.27676404
   0.16354770  0.32376608  0.02306278
   0.39846854  0.43107208  0.33608911
   0.55463437  0.32940234  0.18486466
   0.30890078  0.39730636  0.17041682
   0.22046949  0.12267923  0.41452167
  -0.02183862  0.19691118  0.39578264
   0.03724777 -0.00938804  0.51924708
   0.43808080  0.23168665  0.79454559
   0.09146595  0.22886435  0.56722269
   0.38879803  0.48216765  0.84143623
   0.47477261  0.44975615  0.67877267
   0.23092138  0.37501141  0.69875709
   0.28818425  0.13850830 -0.07531244
   0.04212087  0.10575809  0.96432676
   0.16798589  0.58167288  0.07653037
   0.38633823  0.68545209  0.28483813
   0.18718299  0.83885619  0.06043261
   0.41856827  0.93962301  0.36767751
   0.44870706  0.91386227  0.19364254
   0.20519661  0.89637435  0.25139700
   0.32923210  0.64310244  0.46750914
   0.08827782  0.58220254  0.38010900
   0.25463354  0.43176847  0.50528487
   0.33910080  0.71610300  0.73618517
   0.10714927  0.73320940  0.51536576
   0.37278924  0.96420434  0.79678305
   0.51537337  0.90481069  0.63502208
   0.25081648  0.90035019  0.62083898
   0.28601609  0.67845868 -0.06590345
   0.02264506  0.70805064  0.94278936
   0.63319216  0.05254620  0.09957081
   0.83279494  0.20638677  0.22646715
   0.62051335  0.27309543  0.00687877
   0.84878233  0.44626351  0.31138516
   0.04186267  0.38419148  0.17360560
   0.76902952  0.46485792  0.13013973
   0.71057063  0.21673230  0.39596450
   0.47058492  0.17051005  0.45916240
   0.68387535  0.04457077  0.53458349
   0.86192656  0.27044090  0.83616895
   0.62129544  0.31728823  0.56150547
   0.89071546  0.52525346  0.86182629
   1.05241424  0.49138738  0.56921357
   0.75759136  0.42887672  0.71000543
   0.79976232  0.06308559  0.95706715
   0.54933922  0.04825938  0.91908692
   0.56092845  0.53074674  0.04608709
   0.89720881  0.73114567  0.29219248
   0.54041364  0.81052317  0.04124126
   0.84671205  0.98891062  0.33626584
   0.97698413  0.94275396  0.16749256
   0.70837225  0.85240618  0.19917900
   0.83433497  0.61571952  0.45004188
   0.58084315  0.58140100  0.40359326
   0.63470918  0.59547215  0.57039702
   0.85572884  0.77258054  0.81394536
   0.63799453  0.82598912  0.42588694
   0.97795936  1.02647296  0.80120084
   1.00493578  0.83729367  0.67483988
   0.75505564  0.98000449  0.71410903
   0.75438532  0.70646546  0.98392739
   0.53943175  0.69419107  0.87388378
   0.75511115  0.81727019  0.56836292
   0.69617894  0.88836263  0.43829409
   0.88570509  0.27454714  0.05869516
   0.67320144  1.13078650  0.15514167
   0.37087370  0.12006169  0.64667554
   0.40343445  1.05033175  1.05369390
   0.37256503  0.61115966 -0.47596638
   0.41293514  1.11725687  0.06852248
   0.66894607  0.45346186  0.88511117
   0.57531578  0.66779530  0.61126591
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883237    0.153565   -0.034090
    -0.000000    9.720757    0.246041
    -0.000000    0.000000   14.181723
   Si   O    H 
    32    64    10
Direct configuration=  3229
   0.17796467  0.16512417  0.00570217
   0.37492009  0.10396194  0.38004004
   0.17269841  0.42541853  0.11078533
   0.41086456  0.33391533  0.24598635
   0.08240305  0.13019969  0.47208476
   0.41081756  0.08927167  0.85773899
   0.15840802  0.36778836  0.59536855
   0.37024352  0.38750239  0.75401736
   0.16030301  0.70320582  0.00108917
   0.42334118  0.58244208  0.37440603
   0.13683482  0.92750613  0.15018421
   0.36525301  0.85560370  0.28266640
   0.14521950  0.57168640  0.48818214
   0.38723911  0.65212194  0.83716650
   0.10511618  0.85895949  0.58578801
   0.37452839  0.96855898  0.67710024
   0.65196927  0.11044815  0.98930526
   0.84484905  0.16174096  0.34206186
   0.62152929  0.38933444  0.08718622
   0.88183846  0.34342788  0.15646570
   0.62880235  0.18429706  0.48944250
   0.91960819  0.12616023  0.88458301
   0.62459321  0.44681108  0.63199816
   0.77937150  0.41781121  0.82338808
   0.59314273  0.67379867 -0.02020259
   0.91882558  0.58646861  0.35450114
   0.59016001  0.88964826  0.13269410
   0.86618747  0.87618435  0.24677359
   0.68776456  0.67324347  0.45999060
   0.87553119  0.68008355  0.90507808
   0.67533468  0.92929209  0.62113636
   0.91090424  0.90060358  0.74946979
   0.18031020  0.08965093  0.11019796
   0.39310260  0.18042967  0.27768567
   0.16136261  0.32398322  0.02379411
   0.39709398  0.42974927  0.33709710
   0.55679036  0.32848402  0.18509061
   0.30979128  0.39855061  0.16960379
   0.22151284  0.12223632  0.41428816
  -0.02045220  0.19684218  0.39656933
   0.03702674 -0.01163278  0.51886035
   0.43782338  0.23249359  0.79613694
   0.09098374  0.22791217  0.56886378
   0.38651001  0.48123727  0.84187166
   0.47476512  0.45037278  0.67967140
   0.23114930  0.37303677  0.69982848
   0.28779908  0.13818432 -0.07516042
   0.04286429  0.10639646  0.96524365
   0.16733875  0.58259941  0.07717278
   0.38630982  0.68736723  0.28376524
   0.18753068  0.84007568  0.06057485
   0.41820826  0.93983991  0.36808579
   0.44967412  0.91399294  0.19436117
   0.20535094  0.89616372  0.25062987
   0.33084836  0.64338303  0.46784353
   0.08761111  0.58158144  0.38093273
   0.25503211  0.43169155  0.50535980
   0.34085025  0.71532905  0.73612472
   0.10736121  0.73122817  0.51643755
   0.37220145  0.96506010  0.79672534
   0.51554718  0.90373962  0.63494129
   0.25268047  0.89984630  0.62213539
   0.28562502  0.67710348 -0.06572791
   0.02266722  0.70842762  0.94272990
   0.63303173  0.05301566  0.09971122
   0.83192626  0.20697785  0.22608774
   0.62064432  0.27438310  0.00739262
   0.84786693  0.44587584  0.31094062
   0.04236581  0.38529971  0.17366488
   0.76953762  0.46408890  0.12945328
   0.71126132  0.21694239  0.39684474
   0.47205326  0.17106507  0.45889584
   0.68267224  0.04229751  0.53529032
   0.86214706  0.26934753  0.83638344
   0.62183550  0.31740783  0.56208945
   0.89273197  0.52733266  0.86196105
   1.05112562  0.49279092  0.56926152
   0.75912601  0.43054071  0.70901813
   0.80108727  0.06344877  0.95661317
   0.54859452  0.04960355  0.91931428
   0.56091588  0.53072509  0.04585784
   0.89804973  0.72887734  0.29172093
   0.53900994  0.81100435  0.04176825
   0.84581665  0.99137149  0.33667581
   0.97573746  0.94242869  0.16612454
   0.70916842  0.85341288  0.19804303
   0.83426143  0.61621294  0.45083604
   0.58142933  0.58217055  0.40197468
   0.63458147  0.59545641  0.57005699
   0.85431265  0.77373557  0.81412737
   0.63778407  0.82608273  0.42490785
   0.97825273  1.02641095  0.80232793
   1.00732160  0.83839466  0.67504165
   0.75438222  0.98037387  0.71412351
   0.75485908  0.70665114  0.98267821
   0.54129960  0.69425939  0.87384368
   0.74776261  0.82467876  0.57200301
   0.71341909  0.90886254  0.43620183
   0.88594498  0.26855247  0.05536783
   0.67527962  1.14198103  0.16379436
   0.37096421  0.12183031  0.65161915
   0.39954816  1.05388641  1.05397703
   0.36634958  0.62269251 -0.47900207
   0.41523956  1.11951030  0.06907050
   0.66821685  0.45584190  0.88241742
   0.58382187  0.65336597  0.60765512
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880690    0.153197   -0.033010
    -0.000000    9.717401    0.244795
    -0.000000    0.000000   14.179584
   Si   O    H 
    32    64    10
Direct configuration=  3230
   0.17847188  0.16535270  0.00708405
   0.37657817  0.10294882  0.38026508
   0.17071182  0.42518094  0.11052447
   0.41125499  0.33414692  0.24695194
   0.08246306  0.13282788  0.47236218
   0.40969326  0.08907972  0.85782127
   0.15782828  0.36797634  0.59592304
   0.37183386  0.38677911  0.75456334
   0.15900682  0.70368390  0.00105352
   0.42393926  0.58322375  0.37379552
   0.13702510  0.92814003  0.15001348
   0.36546727  0.85636117  0.28320034
   0.14575043  0.57185206  0.48805798
   0.38865832  0.65377575  0.83686448
   0.10648747  0.85920516  0.58539475
   0.37418728  0.96981859  0.67665161
   0.65233121  0.11201278  0.99021237
   0.84490051  0.16202247  0.34059302
   0.62203702  0.39003220  0.08648918
   0.88099525  0.34379497  0.15602850
   0.62965934  0.18483321  0.48891178
   0.91857815  0.12602516  0.88483314
   0.62435426  0.44736937  0.63132655
   0.77972607  0.41652190  0.82362678
   0.59377009  0.67470978 -0.02096706
   0.92024674  0.58630046  0.35364823
   0.59139238  0.88934631  0.13336807
   0.86541737  0.87647532  0.24761553
   0.68749496  0.67334104  0.46021179
   0.87607688  0.68107289  0.90472193
   0.67465617  0.92894889  0.61962321
   0.91073601  0.90056861  0.74879211
   0.18100297  0.08995758  0.11038226
   0.39278071  0.17541158  0.27927718
   0.16051287  0.32511746  0.02373390
   0.39557588  0.42900901  0.33868618
   0.55847265  0.32778567  0.18577885
   0.31024162  0.40023760  0.16893169
   0.22289478  0.12255369  0.41396333
  -0.01968532  0.19739647  0.39744755
   0.03694659 -0.01351705  0.51817240
   0.43731792  0.23381749  0.79735189
   0.09085424  0.22660805  0.57128321
   0.38411300  0.48019306  0.84270285
   0.47487014  0.45136742  0.68047071
   0.22999054  0.37067667  0.70106092
   0.28714986  0.13744208 -0.07490720
   0.04312161  0.10733548  0.96578295
   0.16751569  0.58342079  0.07788872
   0.38690834  0.68994653  0.28255062
   0.18788959  0.84201152  0.06075312
   0.41876235  0.93926581  0.36872841
   0.45089830  0.91303877  0.19410512
   0.20614144  0.89515460  0.25078516
   0.33201061  0.64450451  0.46633596
   0.08662481  0.58038828  0.38116369
   0.25493735  0.43191166  0.50603934
   0.34287279  0.71413730  0.73590978
   0.10716493  0.72936054  0.51779208
   0.37226463  0.96560041  0.79656824
   0.51603883  0.90268367  0.63498376
   0.25435508  0.89965863  0.62267428
   0.28509737  0.67606974 -0.06540367
   0.02240751  0.70828045  0.94290099
   0.63424414  0.05410886  0.10034191
   0.83104330  0.20673555  0.22613758
   0.62068723  0.27534378  0.00818171
   0.84747614  0.44645201  0.31051420
   0.04242452  0.38620516  0.17384867
   0.76966806  0.46276211  0.12780696
   0.71265841  0.21672066  0.39803401
   0.47340797  0.17057773  0.45823433
   0.68149630  0.04058562  0.53636884
   0.86182396  0.26751693  0.83679418
   0.62222110  0.31776840  0.56223557
   0.89419000  0.52934945  0.86202322
   1.04887890  0.49414133  0.56913929
   0.76056421  0.43223725  0.70728462
   0.80153369  0.06399626  0.95687151
   0.54767777  0.05021239  0.91911598
   0.56058483  0.53087037  0.04541188
   0.89864985  0.72537849  0.29156035
   0.53793014  0.81095433  0.04231199
   0.84423810  0.99361892  0.33703283
   0.97463488  0.94150839  0.16481285
   0.71084292  0.85382935  0.19769673
   0.83463633  0.61625467  0.45186950
   0.58254215  0.58262402  0.40067157
   0.63477786  0.59565229  0.56963012
   0.85366085  0.77598670  0.81437138
   0.63841818  0.82679806  0.42482672
   0.97863698  1.02666403  0.80404119
   1.00923451  0.83908891  0.67497397
   0.75460068  0.98034010  0.71420524
   0.75456400  0.70659200  0.98198017
   0.54277550  0.69474964  0.87307110
   0.73996294  0.82769915  0.57607920
   0.71569598  0.91452814  0.43290311
   0.88697205  0.26393962  0.05681889
   0.67187814  1.14141525  0.16730436
   0.36733385  0.11781744  0.65584685
   0.39496617  1.05078609  1.05577133
   0.38350444  0.62686656 -0.45570778
   0.42004034  1.12869659  0.06969539
   0.66128423  0.45684610  0.88084708
   0.57945952  0.65425624  0.61295958
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878348    0.153673   -0.032095
    -0.000000    9.714658    0.243391
    -0.000000    0.000000   14.177477
   Si   O    H 
    32    64    10
Direct configuration=  3231
   0.17964770  0.16595371  0.00824771
   0.37770422  0.10209715  0.38042518
   0.16871208  0.42395153  0.11060615
   0.41184462  0.33437696  0.24787514
   0.08225750  0.13547534  0.47291605
   0.40843042  0.08978497  0.85745856
   0.15793821  0.36848327  0.59628882
   0.37384556  0.38598644  0.75505758
   0.15811861  0.70428822  0.00118192
   0.42453223  0.58369823  0.37295618
   0.13715967  0.92854421  0.15011204
   0.36530114  0.85686528  0.28346137
   0.14616738  0.57155697  0.48773002
   0.39001299  0.65497025  0.83676971
   0.10773899  0.85981261  0.58487166
   0.37374809  0.97102259  0.67623013
   0.65236817  0.11328479  0.99147405
   0.84475316  0.16262131  0.33912430
   0.62233878  0.39102213  0.08617832
   0.88056894  0.34435762  0.15567872
   0.63042916  0.18548448  0.48861855
   0.91730441  0.12612812  0.88506577
   0.62416574  0.44790436  0.63093911
   0.78066234  0.41517349  0.82399611
   0.59410724  0.67618309 -0.02093685
   0.92150628  0.58615730  0.35268449
   0.59168667  0.88901432  0.13367643
   0.86482336  0.87696891  0.24804856
   0.68655609  0.67318595  0.46061708
   0.87716241  0.68097022  0.90435764
   0.67398555  0.92902632  0.61877911
   0.91007605  0.90041840  0.74799513
   0.18205780  0.08974345  0.11125071
   0.39212920  0.17114526  0.28041319
   0.15958164  0.32565315  0.02373295
   0.39461919  0.42767864  0.34004538
   0.55997234  0.32650151  0.18662399
   0.31035430  0.40241555  0.16819384
   0.22477519  0.12282743  0.41329609
  -0.01879640  0.19786554  0.39846202
   0.03631138 -0.01664400  0.51775957
   0.43770529  0.23526210  0.79838284
   0.09069518  0.22444255  0.57357831
   0.38218735  0.47902342  0.84367558
   0.47561651  0.45196069  0.68085831
   0.22898014  0.36882889  0.70198100
   0.28693664  0.13634598 -0.07481845
   0.04274746  0.10848737  0.96572536
   0.16802659  0.58428465  0.07869547
   0.38856570  0.69226011  0.28153700
   0.18768049  0.84399000  0.06040697
   0.41905962  0.93938405  0.36957254
   0.45311388  0.91200683  0.19349033
   0.20680917  0.89370201  0.25073701
   0.33434371  0.64556800  0.46510367
   0.08573379  0.57854798  0.38108352
   0.25485570  0.43135430  0.50710626
   0.34410094  0.71322809  0.73582511
   0.10717373  0.72809773  0.51904145
   0.37176447  0.96564528  0.79588011
   0.51714045  0.90155318  0.63536312
   0.25542647  0.89900422  0.62285232
   0.28512473  0.67514198 -0.06543397
   0.02237115  0.70820251  0.94356911
   0.63674918  0.05622509  0.10199799
   0.83039390  0.20752584  0.22595511
   0.62037091  0.27570606  0.00890876
   0.84622086  0.44807148  0.31039715
   0.04198657  0.38742145  0.17454577
   0.76982535  0.46139340  0.12595971
   0.71533987  0.21529506  0.39851776
   0.47514166  0.16970674  0.45782612
   0.68010907  0.04005397  0.53656590
   0.86078904  0.26506965  0.83747292
   0.62218761  0.31777225  0.56271692
   0.89503261  0.53080187  0.86227099
   1.04744361  0.49497817  0.56901059
   0.76161130  0.43429618  0.70548928
   0.80199631  0.06403328  0.95697509
   0.54645387  0.05097310  0.91811854
   0.55949622  0.53158989  0.04478347
   0.89881035  0.72323430  0.29072018
   0.53732775  0.81003833  0.04287169
   0.84289053  0.99510179  0.33708912
   0.97287568  0.93986229  0.16448930
   0.71282131  0.85364892  0.19778568
   0.83543397  0.61600855  0.45288718
   0.58270514  0.58364234  0.39950253
   0.63453509  0.59632902  0.56936048
   0.85316836  0.77923352  0.81449186
   0.63928233  0.82782540  0.42442552
   0.97927986  1.02664683  0.80562336
   1.01082415  0.84034549  0.67471824
   0.75581814  0.97987092  0.71396382
   0.75409195  0.70587084  0.98123324
   0.54459264  0.69592326  0.87254301
   0.74113455  0.82087645  0.57360458
   0.70884208  0.90666974  0.43064369
   0.88590173  0.25725248  0.06083488
   0.66655824  1.12683695  0.16292763
   0.36462540  0.11425464  0.66154757
   0.39027297  1.05224927  1.06064810
   0.39473618  0.63351439 -0.44396021
   0.42246094  1.13085342  0.06745763
   0.65261570  0.45953005  0.87799394
   0.57875926  0.65780125  0.61374389
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876468    0.154147   -0.031656
    -0.000000    9.711801    0.242535
    -0.000000    0.000000   14.175595
   Si   O    H 
    32    64    10
Direct configuration=  3232
   0.18081521  0.16644838  0.00949124
   0.37835167  0.10084727  0.38076204
   0.16715680  0.42323973  0.11086609
   0.41226418  0.33432204  0.24874727
   0.08278163  0.13780554  0.47385864
   0.40699127  0.09090358  0.85682371
   0.15825048  0.36974362  0.59654123
   0.37583342  0.38523536  0.75565450
   0.15758626  0.70498023  0.00177229
   0.42497250  0.58447265  0.37230199
   0.13636641  0.92958601  0.14984689
   0.36515024  0.85660391  0.28344007
   0.14677677  0.57056469  0.48778935
   0.39071906  0.65586005  0.83683580
   0.10847179  0.86076541  0.58436259
   0.37342224  0.97217686  0.67575907
   0.65323716  0.11391314  0.99208656
   0.84484686  0.16409086  0.33828944
   0.62286953  0.39242195  0.08614068
   0.88033039  0.34486870  0.15534786
   0.63070898  0.18703839  0.48884691
   0.91693369  0.12585310  0.88519468
   0.62368333  0.44699200  0.63089883
   0.78143565  0.41458577  0.82443217
   0.59425173  0.67812132 -0.02042800
   0.92262173  0.58544124  0.35137059
   0.59124276  0.88892863  0.13418933
   0.86419081  0.87719839  0.24878457
   0.68536999  0.67311587  0.46116483
   0.87806999  0.68022286  0.90427105
   0.67330696  0.92936701  0.61864765
   0.90897576  0.90037760  0.74749754
   0.18353764  0.08942025  0.11219949
   0.39140875  0.16814301  0.28114039
   0.15972978  0.32648430  0.02380392
   0.39314418  0.42717699  0.34039000
   0.56120463  0.32511846  0.18720786
   0.31035955  0.40471221  0.16750832
   0.22658625  0.12247478  0.41324249
  -0.01819568  0.19825717  0.39922048
   0.03546635 -0.01890832  0.51762669
   0.43802009  0.23591393  0.79886612
   0.09066899  0.22132013  0.57559464
   0.38076031  0.47767341  0.84537559
   0.47680906  0.45288270  0.68069583
   0.22773721  0.36817579  0.70290415
   0.28747879  0.13452218 -0.07384045
   0.04206541  0.10901901  0.96530803
   0.16768964  0.58535044  0.07950494
   0.39079345  0.69384961  0.28033582
   0.18752228  0.84527017  0.05990427
   0.41833109  0.93960033  0.37105458
   0.45520895  0.91053101  0.19272507
   0.20762593  0.89253370  0.25025630
   0.33713301  0.64562554  0.46437186
   0.08518573  0.57658168  0.38075448
   0.25447315  0.43048242  0.50858630
   0.34523937  0.71255896  0.73592010
   0.10812398  0.72781141  0.52066209
   0.37131026  0.96540697  0.79515060
   0.51796405  0.89914358  0.63586778
   0.25617546  0.89895021  0.62283301
   0.28511629  0.67459278 -0.06596647
   0.02235459  0.70850638  0.94459274
   0.63912864  0.05796636  0.10429120
   0.82965348  0.20882033  0.22555026
   0.61996179  0.27580209  0.00933615
   0.84580971  0.44988004  0.31000113
   0.04163114  0.38784086  0.17462447
   0.76936133  0.46058224  0.12423405
   0.71783085  0.21346102  0.39924704
   0.47694152  0.16919419  0.45804323
   0.67881255  0.03965841  0.53610884
   0.85999711  0.26319895  0.83783379
   0.62222156  0.31781830  0.56242083
   0.89586441  0.53157020  0.86279931
   1.04605438  0.49576588  0.56871045
   0.76200357  0.43662004  0.70337073
   0.80162396  0.06338332  0.95721881
   0.54427149  0.05154370  0.91723343
   0.55860854  0.53350460  0.04373249
   0.89967785  0.72151329  0.29057051
   0.53684326  0.80937276  0.04274607
   0.84140434  0.99574484  0.33692505
   0.97084421  0.93840101  0.16424419
   0.71530298  0.85353013  0.19775110
   0.83612522  0.61544573  0.45381471
   0.58384081  0.58456510  0.39846903
   0.63418288  0.59769683  0.56987102
   0.85227522  0.78253209  0.81443019
   0.63964543  0.82916204  0.42428453
   0.98009333  1.02621375  0.80659288
   1.01259664  0.84179945  0.67434203
   0.75675592  0.97972942  0.71374012
   0.75377032  0.70515355  0.98051186
   0.54567283  0.69691177  0.87254035
   0.74404700  0.80838890  0.56824155
   0.69374136  0.89388591  0.42962616
   0.88339429  0.25414084  0.06818929
   0.66056016  1.10059518  0.15384212
   0.36323272  0.11941711  0.66711532
   0.39076989  1.05967135  1.06501254
   0.39646526  0.64321957 -0.44117409
   0.41839346  1.12439868  0.06508588
   0.64541138  0.45764342  0.87368581
   0.57970933  0.66622165  0.61005127
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874586    0.154554   -0.031016
    -0.000000    9.708906    0.241920
    -0.000000    0.000000   14.173657
   Si   O    H 
    32    64    10
Direct configuration=  3233
   0.18164684  0.16642488  0.01046132
   0.37889293  0.09961578  0.38100450
   0.16589951  0.42358811  0.11112987
   0.41354100  0.33379342  0.24968897
   0.08430012  0.14010174  0.47495865
   0.40491042  0.09262407  0.85677668
   0.15907099  0.37050715  0.59717891
   0.37676027  0.38348834  0.75589440
   0.15730043  0.70559308  0.00170475
   0.42500529  0.58550720  0.37155651
   0.13508064  0.93043055  0.14935322
   0.36504711  0.85647844  0.28352917
   0.14726374  0.56937991  0.48749127
   0.39103901  0.65623663  0.83729348
   0.10956337  0.86151842  0.58324850
   0.37344029  0.97278659  0.67533991
   0.65380665  0.11504395  0.99212053
   0.84528495  0.16556829  0.33769870
   0.62383280  0.39395352  0.08605046
   0.88066961  0.34495566  0.15522109
   0.63101961  0.18835452  0.48907136
   0.91684435  0.12560687  0.88580702
   0.62398573  0.44624339  0.63100683
   0.78245218  0.41446020  0.82449768
   0.59373370  0.67965624 -0.01977903
   0.92294286  0.58425787  0.35027889
   0.59105234  0.88928521  0.13461032
   0.86413659  0.87789534  0.24974890
   0.68400119  0.67267141  0.46202839
   0.87864302  0.67942150  0.90393729
   0.67383265  0.92898011  0.61869837
   0.90763338  0.90110824  0.74732703
   0.18543335  0.08903007  0.11314954
   0.39134828  0.16678417  0.28092714
   0.15931368  0.32772842  0.02347609
   0.39201135  0.42642318  0.34084006
   0.56228069  0.32416572  0.18761519
   0.31028523  0.40670087  0.16681809
   0.22752944  0.12221244  0.41366486
  -0.01829804  0.19935853  0.39988304
   0.03495498 -0.02143178  0.51700059
   0.43863057  0.23755363  0.79896609
   0.09060905  0.21836851  0.57760835
   0.37916910  0.47642988  0.84710142
   0.47774720  0.45436945  0.68022300
   0.22600483  0.36742446  0.70361089
   0.28820099  0.13271902 -0.07217483
   0.04072627  0.10920545  0.96484954
   0.16692726  0.58673763  0.08016371
   0.39297419  0.69453620  0.27952640
   0.18660895  0.84590285  0.05994361
   0.41764091  0.93942781  0.37242513
   0.45683002  0.90850040  0.19208976
   0.20849076  0.89145038  0.25016183
   0.34071063  0.64665437  0.46418518
   0.08440375  0.57385286  0.37966762
   0.25402479  0.42918708  0.51004350
   0.34718794  0.71200433  0.73669095
   0.10884600  0.72771316  0.52268322
   0.37031981  0.96501842  0.79407013
   0.51895416  0.89655766  0.63589600
   0.25732033  0.89933956  0.62229614
   0.28604943  0.67453599 -0.06661014
   0.02181809  0.70904138  0.94530609
   0.64080175  0.05831275  0.10467346
   0.82942819  0.21053101  0.22593988
   0.61974049  0.27500660  0.00929078
   0.84573404  0.45137290  0.30956432
   0.04047430  0.38840279  0.17461729
   0.76925536  0.45962424  0.12229308
   0.71973697  0.21253263  0.39949574
   0.47854044  0.16861988  0.45785524
   0.67783588  0.03920446  0.53587214
   0.85887609  0.26131558  0.83735906
   0.62271460  0.31786066  0.56168311
   0.89591053  0.53154147  0.86332999
   1.04491557  0.49612708  0.56866061
   0.76217133  0.43809480  0.70123261
   0.80069157  0.06317590  0.95704477
   0.54208531  0.05201126  0.91684449
   0.55760751  0.53575202  0.04235529
   0.89967424  0.72044434  0.28969604
   0.53596225  0.80925343  0.04232852
   0.83984135  0.99631276  0.33644773
   0.96976091  0.93628886  0.16447238
   0.71818929  0.85344060  0.19697842
   0.83655339  0.61481968  0.45495500
   0.58494103  0.58499132  0.39715498
   0.63327780  0.59952085  0.57123433
   0.85154593  0.78604841  0.81422085
   0.63867779  0.82736144  0.42410513
   0.98019813  1.02518494  0.80709125
   1.01477720  0.84290197  0.67356916
   0.75749562  0.97897951  0.71366910
   0.75290668  0.70456759  0.97913398
   0.54628293  0.69779172  0.87244522
   0.74521980  0.79958779  0.56265593
   0.70464616  0.91651915  0.42956614
   0.88424720  0.25349113  0.07677100
   0.66506797  1.09939404  0.16777327
   0.36212029  0.12331749  0.66807237
   0.39193079  1.05758005  1.06951195
   0.39068572  0.65113961 -0.44864607
   0.41847776  1.12405389  0.06253980
   0.64489856  0.44926410  0.86972732
   0.58177031  0.67547184  0.60482419
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872778    0.155015   -0.030132
    -0.000000    9.705857    0.241267
    -0.000000    0.000000   14.171815
   Si   O    H 
    32    64    10
Direct configuration=  3234
   0.18238082  0.16551445  0.01122183
   0.37946058  0.09849630  0.38172598
   0.16597276  0.42393130  0.11142129
   0.41463181  0.33312983  0.25028698
   0.08643794  0.14133799  0.47610450
   0.40317183  0.09468059  0.85675892
   0.16009713  0.37141695  0.59801361
   0.37714789  0.38190943  0.75618146
   0.15726805  0.70598938  0.00171471
   0.42543119  0.58676981  0.37077428
   0.13364892  0.93125651  0.14909914
   0.36509361  0.85701547  0.28359922
   0.14785817  0.56863078  0.48737066
   0.39127271  0.65658956  0.83773895
   0.11098313  0.86239276  0.58209376
   0.37396160  0.97328642  0.67458740
   0.65373255  0.11604964  0.99193247
   0.84614801  0.16738955  0.33707778
   0.62460252  0.39507554  0.08612856
   0.88076069  0.34553898  0.15518243
   0.63102690  0.18972795  0.48978939
   0.91667701  0.12483722  0.88649376
   0.62434352  0.44555661  0.63110172
   0.78380572  0.41459759  0.82423150
   0.59346265  0.68140112 -0.01925901
   0.92343656  0.58334712  0.34929702
   0.59026584  0.88903734  0.13453327
   0.86443694  0.87857945  0.25025409
   0.68260732  0.67193197  0.46299920
   0.87937100  0.67818761  0.90330727
   0.67438000  0.92810201  0.61893715
   0.90548058  0.90234974  0.74691498
   0.18777093  0.08819346  0.11428495
   0.39085255  0.16625932  0.27953750
   0.15917538  0.32784058  0.02324932
   0.39156612  0.42601815  0.34178591
   0.56325709  0.32302846  0.18774655
   0.31045498  0.40797967  0.16669700
   0.22752790  0.12131481  0.41397007
  -0.01939019  0.20046099  0.40007559
   0.03403961 -0.02246695  0.51581974
   0.43932253  0.23870455  0.79932268
   0.09077497  0.21474721  0.57961628
   0.37765951  0.47603852  0.84909683
   0.47838517  0.45571940  0.67937796
   0.22459875  0.36645889  0.70468836
   0.28891760  0.13099249 -0.07069103
   0.03962836  0.10949670  0.96445650
   0.16634369  0.58767872  0.08118290
   0.39465839  0.69446739  0.27916184
   0.18591681  0.84611621  0.05918800
   0.41580303  0.93961215  0.37332359
   0.45757970  0.90618387  0.19168008
   0.20880750  0.89051898  0.25004976
   0.34323024  0.64781193  0.46372932
   0.08303399  0.57177746  0.37797625
   0.25346564  0.42710739  0.51067328
   0.34837970  0.71147876  0.73735401
   0.11071113  0.72682618  0.52453390
   0.36879829  0.96469830  0.79258307
   0.51948585  0.89405282  0.63672773
   0.25805949  0.89918004  0.62224390
   0.28766956  0.67447265 -0.06743709
   0.02119001  0.70897590  0.94643579
   0.64268955  0.05876386  0.10538241
   0.82922118  0.21107725  0.22641524
   0.61917534  0.27420952  0.00924154
   0.84570435  0.45197942  0.30895681
   0.03931260  0.38870988  0.17452145
   0.76913675  0.45871195  0.12042136
   0.72108005  0.21210973  0.40009835
   0.47935733  0.16769477  0.45788316
   0.67639596  0.03960913  0.53551262
   0.85795406  0.25933238  0.83698589
   0.62349388  0.31754171  0.56168243
   0.89661533  0.52984666  0.86367036
   1.04369495  0.49651244  0.56881193
   0.76120108  0.43998841  0.69980757
   0.80028630  0.06316472  0.95723273
   0.54026180  0.05211694  0.91717324
   0.55673127  0.53774281  0.04017848
   0.89950857  0.71936409  0.28932913
   0.53534628  0.80867542  0.04235969
   0.83909723  0.99688772  0.33579505
   0.96888714  0.93403093  0.16504479
   0.72179611  0.85281767  0.19654899
   0.83778887  0.61491241  0.45569832
   0.58512522  0.58611261  0.39609065
   0.63219645  0.60132069  0.57221917
   0.85090698  0.78897862  0.81452303
   0.63754958  0.82573251  0.42436554
   0.97993534  1.02394200  0.80730193
   1.01673352  0.84386000  0.67333007
   0.75793836  0.97765901  0.71335878
   0.75309272  0.70371806  0.97761285
   0.54640259  0.69871407  0.87314353
   0.74632216  0.79981115  0.55880622
   0.70856889  0.92221127  0.42881470
   0.88671680  0.25238644  0.08148433
   0.66925565  1.10128961  0.17435407
   0.36248770  0.12808876  0.66657673
   0.39660798  1.05027706  1.07513562
   0.37993325  0.66139481 -0.46342463
   0.42116165  1.12713228  0.06043970
   0.64478482  0.43795064  0.86651552
   0.58251431  0.68456184  0.59736002
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871187    0.155827   -0.029651
    -0.000000    9.703293    0.240726
    -0.000000    0.000000   14.169840
   Si   O    H 
    32    64    10
Direct configuration=  3235
   0.18225363  0.16440585  0.01175096
   0.38019651  0.09769238  0.38244352
   0.16663884  0.42445667  0.11193366
   0.41532448  0.33245279  0.25037566
   0.08799274  0.14181490  0.47726266
   0.40188667  0.09697941  0.85682732
   0.16084280  0.37149050  0.59884742
   0.37740954  0.38059583  0.75685257
   0.15703846  0.70713182  0.00155558
   0.42609773  0.58859942  0.36991452
   0.13248319  0.93188423  0.14866927
   0.36527068  0.85788730  0.28351078
   0.14868697  0.56804770  0.48757377
   0.39083114  0.65656971  0.83838959
   0.11121314  0.86340544  0.58125617
   0.37478371  0.97357528  0.67405744
   0.65342170  0.11668940  0.99197021
   0.84702852  0.16939710  0.33645091
   0.62568010  0.39665493  0.08651340
   0.88066433  0.34604746  0.15520425
   0.63079086  0.19104905  0.49088126
   0.91744184  0.12399953  0.88713149
   0.62494078  0.44501324  0.63127286
   0.78504409  0.41490724  0.82384115
   0.59373547  0.68229316 -0.01882033
   0.92361792  0.58254898  0.34833339
   0.58930229  0.88898384  0.13434697
   0.86520989  0.87969273  0.25100667
   0.68187128  0.67082802  0.46384246
   0.87984489  0.67734865  0.90275115
   0.67478594  0.92790460  0.61927037
   0.90318399  0.90398045  0.74671071
   0.18947261  0.08827724  0.11505859
   0.39137346  0.16676124  0.27774603
   0.15996020  0.32884998  0.02268759
   0.39031429  0.42639825  0.34272158
   0.56357074  0.32142017  0.18737410
   0.31053963  0.40849613  0.16688664
   0.22676386  0.11982238  0.41466846
  -0.02023430  0.20151328  0.39993340
   0.03408313 -0.02319909  0.51552289
   0.44003778  0.23918805  0.80001077
   0.09018005  0.21074863  0.58122132
   0.37530094  0.47625965  0.85085263
   0.47825538  0.45595125  0.67853920
   0.22410538  0.36539620  0.70602406
   0.29009049  0.12847967 -0.06908270
   0.03809890  0.11082567  0.96393308
   0.16625942  0.58789145  0.08236458
   0.39651186  0.69414087  0.27855343
   0.18505258  0.84618990  0.05900216
   0.41354033  0.93904754  0.37389727
   0.45825141  0.90456151  0.19124983
   0.20885446  0.88940748  0.24986435
   0.34557417  0.64932321  0.46427446
   0.08302126  0.56982531  0.37693756
   0.25250325  0.42512296  0.51152483
   0.35025935  0.71155032  0.73818022
   0.11265100  0.72538808  0.52628688
   0.36714781  0.96607435  0.79146673
   0.51980675  0.89229714  0.63740224
   0.25884828  0.89765740  0.62172132
   0.28878990  0.67502710 -0.06809784
   0.02070484  0.70936773  0.94738688
   0.64522927  0.05840608  0.10660858
   0.82887327  0.21181663  0.22679077
   0.61844388  0.27442769  0.00961253
   0.84560630  0.45295821  0.30844144
   0.03787550  0.38889609  0.17446374
   0.76846437  0.45714249  0.11867105
   0.72260425  0.21088341  0.40056068
   0.47854123  0.16616703  0.45822886
   0.67548379  0.04016891  0.53592439
   0.85567357  0.25818017  0.83669094
   0.62395219  0.31691861  0.56208739
   0.89666576  0.52836033  0.86413127
   1.04327399  0.49694218  0.56982520
   0.75988831  0.44202239  0.69848694
   0.79954050  0.06303127  0.95771661
   0.53968048  0.05216542  0.91772528
   0.55599155  0.53925185  0.03905539
   0.90017016  0.71922352  0.28869394
   0.53577618  0.80822777  0.04257290
   0.83847927  0.99736210  0.33538762
   0.96762006  0.93186023  0.16576278
   0.72504487  0.85206220  0.19616469
   0.83899835  0.61484180  0.45615368
   0.58567285  0.58688176  0.39535457
   0.63166192  0.60299886  0.57317268
   0.85092284  0.79132700  0.81474294
   0.63688475  0.82374857  0.42482334
   0.97975130  1.02273946  0.80745855
   1.01811236  0.84463451  0.67265379
   0.75788278  0.97582862  0.71290841
   0.75324708  0.70203336  0.97570802
   0.54574773  0.69925218  0.87295851
   0.74509623  0.80326204  0.55864750
   0.70192810  0.91080414  0.42914661
   0.89152447  0.24707269  0.07970074
   0.67123581  1.10357182  0.17008470
   0.36357698  0.13100514  0.66229699
   0.40497370  1.04744185  1.08220113
   0.36682484  0.66747062 -0.48356996
   0.42143071  1.12249553  0.05856366
   0.64738163  0.42525564  0.86364198
   0.58344149  0.69082801  0.59181059
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869694    0.156320   -0.029067
    -0.000000    9.700750    0.239960
    -0.000000    0.000000   14.167627
   Si   O    H 
    32    64    10
Direct configuration=  3236
   0.18131302  0.16335547  0.01176758
   0.38114458  0.09679648  0.38311839
   0.16761804  0.42575214  0.11251902
   0.41541100  0.33228452  0.25033168
   0.08972944  0.14155290  0.47811963
   0.40085102  0.09863225  0.85689046
   0.16055241  0.37162277  0.59966554
   0.37751357  0.38007346  0.75724103
   0.15759512  0.70797073  0.00124430
   0.42735109  0.59069024  0.36871389
   0.13177053  0.93253690  0.14842320
   0.36620716  0.85859850  0.28336957
   0.14937655  0.56800241  0.48799358
   0.39040755  0.65624186  0.83903297
   0.11126271  0.86379133  0.58046917
   0.37564273  0.97371384  0.67445493
   0.65227231  0.11703012  0.99170886
   0.84891407  0.17149542  0.33596332
   0.62668418  0.39809434  0.08738020
   0.88033942  0.34637536  0.15512545
   0.63050509  0.19258262  0.49201621
   0.91809837  0.12306197  0.88757820
   0.62526332  0.44429574  0.63124158
   0.78646601  0.41449002  0.82320440
   0.59378288  0.68329091 -0.01807801
   0.92350365  0.58259953  0.34748322
   0.58908083  0.88892154  0.13390976
   0.86586047  0.88018471  0.25190306
   0.68214589  0.66992936  0.46455845
   0.88010205  0.67707217  0.90203228
   0.67532941  0.92764894  0.61965540
   0.90138795  0.90606201  0.74670906
   0.19048988  0.08753504  0.11597365
   0.39191504  0.16742087  0.27604425
   0.16119687  0.32984409  0.02210484
   0.38933801  0.42721703  0.34337227
   0.56364915  0.31937097  0.18721835
   0.31108104  0.40862275  0.16713030
   0.22637707  0.11844879  0.41512085
  -0.02184757  0.20280946  0.40009040
   0.03467854 -0.02253820  0.51472591
   0.44081992  0.23943286  0.80076781
   0.09062126  0.20745796  0.58268958
   0.37297240  0.47692796  0.85193402
   0.47774274  0.45565040  0.67821676
   0.22426622  0.36433862  0.70837381
   0.29143890  0.12710624 -0.06703969
   0.03658477  0.11278102  0.96395551
   0.16585495  0.58779549  0.08338057
   0.39863353  0.69294130  0.27876388
   0.18486019  0.84692011  0.05908491
   0.41181289  0.93775445  0.37408126
   0.45883381  0.90371090  0.19116392
   0.20824409  0.88832388  0.24950817
   0.34615578  0.64948785  0.46291177
   0.08289881  0.56800281  0.37619246
   0.25127810  0.42363899  0.51248740
   0.35235497  0.71142425  0.73895389
   0.11446826  0.72302620  0.52810827
   0.36592698  0.96694743  0.79033219
   0.51950983  0.89030977  0.63804903
   0.25923206  0.89529214  0.62136516
   0.28990142  0.67585842 -0.06849648
   0.01997082  0.70972711  0.94868597
   0.64680527  0.05661315  0.10781984
   0.82880097  0.21265770  0.22729658
   0.61725620  0.27460281  0.00973990
   0.84612764  0.45303086  0.30817270
   0.03570497  0.38821809  0.17442831
   0.76772597  0.45634223  0.11659937
   0.72363201  0.21016098  0.40046302
   0.47700587  0.16536402  0.45839827
   0.67518903  0.04154039  0.53623280
   0.85407032  0.25791659  0.83609100
   0.62508401  0.31669899  0.56240024
   0.89549601  0.52622916  0.86439254
   1.04330344  0.49705593  0.57114805
   0.75827143  0.44335391  0.69811377
   0.79919091  0.06260738  0.95832632
   0.53958172  0.05166306  0.91820747
   0.55464714  0.54099126  0.03765634
   0.90055226  0.71966217  0.28788154
   0.53548852  0.80802898  0.04310570
   0.83856163  0.99697829  0.33507822
   0.96746290  0.92941768  0.16645364
   0.72757110  0.85209641  0.19520437
   0.83989380  0.61512306  0.45661729
   0.58656463  0.58757666  0.39471303
   0.63047150  0.60539909  0.57365998
   0.85015498  0.79259211  0.81534135
   0.63624907  0.82216980  0.42563730
   0.97946301  1.02223641  0.80772310
   1.01810669  0.84522647  0.67277597
   0.75794155  0.97440670  0.71224410
   0.75293272  0.70027803  0.97359019
   0.54559784  0.69949850  0.87224969
   0.74169151  0.80843280  0.56417359
   0.68765541  0.89034714  0.42840198
   0.89439093  0.24436791  0.07453596
   0.67231049  1.10235183  0.16055843
   0.36545015  0.12655902  0.65678515
   0.41297494  1.05246434  1.08576190
   0.37158211  0.69080061 -0.46210016
   0.42128239  1.11395435  0.05639607
   0.64553595  0.41765276  0.86401663
   0.58127095  0.69384218  0.59117183
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867998    0.157333   -0.028419
    -0.000000    9.698589    0.239217
    -0.000000    0.000000   14.165324
   Si   O    H 
    32    64    10
Direct configuration=  3237
   0.18066087  0.16247692  0.01194856
   0.38253775  0.09657030  0.38370492
   0.16821050  0.42678094  0.11310567
   0.41510561  0.33267955  0.25001388
   0.09088362  0.14097041  0.47879709
   0.40085062  0.09966433  0.85709023
   0.15923372  0.37188575  0.60048034
   0.37738312  0.37987016  0.75701419
   0.15867010  0.70918618  0.00069130
   0.42868882  0.59239024  0.36761896
   0.13097403  0.93313452  0.14863360
   0.36665535  0.85886732  0.28311909
   0.14920417  0.56796450  0.48819704
   0.38918591  0.65580462  0.84021018
   0.11132129  0.86412728  0.58016229
   0.37701849  0.97407303  0.67496787
   0.65116083  0.11743545  0.99132183
   0.85133920  0.17326736  0.33565216
   0.62706872  0.39985992  0.08829853
   0.88000444  0.34627742  0.15513848
   0.63120710  0.19356714  0.49278054
   0.91895571  0.12191441  0.88762398
   0.62568375  0.44357165  0.63155859
   0.78771192  0.41409781  0.82243955
   0.59388972  0.68475934 -0.01739387
   0.92334431  0.58234681  0.34696335
   0.58930537  0.88839007  0.13338991
   0.86619898  0.88055536  0.25232918
   0.68289592  0.66880902  0.46493028
   0.87966375  0.67707557  0.90081007
   0.67581265  0.92723530  0.61955598
   0.90042890  0.90800221  0.74620729
   0.19163922  0.08664376  0.11680159
   0.39220104  0.16786314  0.27418636
   0.16233103  0.32983199  0.02143512
   0.38808962  0.42849339  0.34442238
   0.56356804  0.31777318  0.18670981
   0.31163226  0.40744147  0.16746250
   0.22580469  0.11698060  0.41599390
  -0.02216578  0.20307639  0.40041196
   0.03587408 -0.02136601  0.51371353
   0.44157010  0.23981491  0.80134558
   0.09024646  0.20516397  0.58384280
   0.37057298  0.47781440  0.85320683
   0.47746860  0.45507943  0.67848933
   0.22513232  0.36295341  0.71024713
   0.29257585  0.12574383 -0.06482521
   0.03557465  0.11396195  0.96405745
   0.16501974  0.58843622  0.08429238
   0.40075844  0.69240608  0.27921046
   0.18514825  0.84762899  0.05931563
   0.40943108  0.93625523  0.37429733
   0.45982082  0.90302075  0.19132574
   0.20759047  0.88733872  0.24948239
   0.34639540  0.64996460  0.46195722
   0.08264297  0.56643579  0.37554897
   0.25114473  0.42153878  0.51350056
   0.35403980  0.71107765  0.73958807
   0.11602020  0.72080551  0.52931447
   0.36474972  0.96815246  0.79029652
   0.51913151  0.88876952  0.63874072
   0.25962370  0.89361725  0.62088012
   0.29017955  0.67654906 -0.06826795
   0.01923282  0.70936926  0.95021332
   0.64799669  0.05413241  0.10827484
   0.82863132  0.21355420  0.22760646
   0.61626687  0.27457183  0.00945832
   0.84724575  0.45338397  0.30800893
   0.03450537  0.38745475  0.17423895
   0.76792307  0.45508815  0.11513728
   0.72352708  0.21003139  0.40052028
   0.47544114  0.16459092  0.45874714
   0.67484925  0.04273189  0.53696311
   0.85328144  0.25806301  0.83534783
   0.62533707  0.31709360  0.56331386
   0.89357742  0.52351674  0.86434622
   1.04337607  0.49725260  0.57257580
   0.75726206  0.44494705  0.69793285
   0.79838080  0.06217506  0.95891223
   0.53982388  0.05131311  0.91807093
   0.55393916  0.54269163  0.03551718
   0.90071715  0.72141427  0.28698106
   0.53529428  0.80790583  0.04331957
   0.83894827  0.99605815  0.33461096
   0.96766084  0.92668306  0.16724813
   0.72910842  0.85216156  0.19390212
   0.84037607  0.61597531  0.45695447
   0.58774271  0.58715097  0.39418411
   0.62953950  0.60780269  0.57414662
   0.84953386  0.79335629  0.81599804
   0.63366441  0.81888173  0.42625568
   0.97885759  1.02197349  0.80775993
   1.01679173  0.84617217  0.67294216
   0.75819895  0.97365266  0.71112949
   0.75323139  0.69854027  0.97200454
   0.54532574  0.69965412  0.87162740
   0.73957375  0.81522703  0.57106533
   0.70093716  0.90511880  0.42943440
   0.89717828  0.24709983  0.06740191
   0.67741257  1.11476671  0.15931386
   0.36953584  0.11810834  0.65098149
   0.41462974  1.05234572  1.09023488
   0.37338067  0.70957929 -0.45217850
   0.42032377  1.10937986  0.05097407
   0.64696026  0.40755440  0.86640382
   0.57542334  0.69037637  0.59514037
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866507    0.158547   -0.028387
    -0.000000    9.696433    0.238108
    -0.000000    0.000000   14.163005
   Si   O    H 
    32    64    10
Direct configuration=  3238
   0.17936285  0.16161271  0.01217321
   0.38410863  0.09629356  0.38368738
   0.16841007  0.42734903  0.11316740
   0.41491126  0.33337462  0.24935079
   0.09166787  0.13987087  0.47980300
   0.40115587  0.10040171  0.85739291
   0.15787354  0.37182152  0.60171434
   0.37718561  0.37996198  0.75716823
   0.16021816  0.70967636  0.00045300
   0.43058077  0.59354672  0.36690887
   0.13041532  0.93371505  0.14871213
   0.36698557  0.85909897  0.28285883
   0.14864442  0.56824676  0.48814703
   0.38842756  0.65552873  0.84134704
   0.11197045  0.86411790  0.57995715
   0.37871899  0.97380216  0.67528209
   0.65010117  0.11790877  0.99097818
   0.85327914  0.17489892  0.33595816
   0.62637487  0.40087166  0.08916835
   0.87979118  0.34590858  0.15476437
   0.63166959  0.19390666  0.49296408
   0.91944562  0.12101469  0.88779142
   0.62649671  0.44312589  0.63186333
   0.78874814  0.41352162  0.82181224
   0.59431476  0.68515794 -0.01649588
   0.92204912  0.58188821  0.34623190
   0.59134430  0.88726476  0.13276003
   0.86675761  0.87978764  0.25316175
   0.68434760  0.66750643  0.46510822
   0.87933002  0.67719546  0.89961610
   0.67607295  0.92714065  0.61948282
   0.89996856  0.90983759  0.74620264
   0.19298441  0.08628270  0.11758250
   0.39260886  0.16773944  0.27294250
   0.16340995  0.32952808  0.02076515
   0.38723641  0.42965600  0.34526301
   0.56357285  0.31598594  0.18670985
   0.31330259  0.40732657  0.16768461
   0.22567965  0.11693389  0.41668586
  -0.02214780  0.20339807  0.40085012
   0.03766554 -0.01899220  0.51293728
   0.44189794  0.23979181  0.80178164
   0.08940957  0.20333479  0.58460310
   0.36899138  0.47761208  0.85419630
   0.47726773  0.45450794  0.67845753
   0.22613337  0.36280873  0.71206680
   0.29381017  0.12454394 -0.06259287
   0.03534336  0.11502200  0.96390431
   0.16413171  0.58851186  0.08504806
   0.40194669  0.69265125  0.27890005
   0.18501731  0.84898156  0.05953274
   0.40687647  0.93465829  0.37439569
   0.45989496  0.90348113  0.19177925
   0.20729464  0.88583831  0.24927273
   0.34598076  0.65002877  0.46085426
   0.08282875  0.56503644  0.37547650
   0.25227425  0.42008778  0.51393400
   0.35537915  0.71075112  0.74002125
   0.11727927  0.71786313  0.53035596
   0.36378560  0.97010835  0.78986746
   0.51855442  0.88744387  0.63943034
   0.26058670  0.89221074  0.62025133
   0.29038574  0.67791411 -0.06796822
   0.01865855  0.70985723  0.95133353
   0.64964379  0.05218829  0.10855534
   0.82941123  0.21424478  0.22697288
   0.61554610  0.27515081  0.00877043
   0.84827123  0.45257828  0.30773616
   0.03323086  0.38772719  0.17445971
   0.76874208  0.45479375  0.11344461
   0.72241442  0.21095118  0.40063680
   0.47442319  0.16333680  0.45883577
   0.67476669  0.04394849  0.53748346
   0.85335592  0.25844283  0.83496843
   0.62637788  0.31766263  0.56428432
   0.89083907  0.52070008  0.86423720
   1.04299279  0.49612344  0.57344697
   0.75656243  0.44659423  0.69795802
   0.79708492  0.06149758  0.95936497
   0.54096184  0.05186591  0.91816799
   0.55389452  0.54319945  0.03441893
   0.90075715  0.72321261  0.28626006
   0.53566183  0.80773453  0.04363039
   0.84004075  0.99528300  0.33398433
   0.96935211  0.92536695  0.16793488
   0.72919181  0.85193322  0.19253882
   0.84114882  0.61713392  0.45688196
   0.58847500  0.58628180  0.39301377
   0.62841440  0.60990096  0.57477336
   0.84927231  0.79280713  0.81706864
   0.63103965  0.81649173  0.42658014
   0.97771610  1.02236594  0.80761894
   1.01441039  0.84678279  0.67400681
   0.75855843  0.97344079  0.71031751
   0.75421253  0.69704827  0.97103727
   0.54570682  0.69944673  0.87117386
   0.74167956  0.81864070  0.57717722
   0.70508256  0.91116527  0.42944243
   0.89984260  0.25397943  0.06578236
   0.68563232  1.12543404  0.15794136
   0.37992357  0.11417702  0.64418238
   0.41406641  1.05839542  1.09170199
   0.37007112  0.71977902 -0.45314075
   0.42183626  1.10048692  0.04670226
   0.64922212  0.39940954  0.86572278
   0.57025672  0.68499547  0.60071841
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865067    0.159703   -0.027792
    -0.000000    9.694044    0.237582
    -0.000000    0.000000   14.160181
   Si   O    H 
    32    64    10
Direct configuration=  3239
   0.17795119  0.16113886  0.01244339
   0.38492417  0.09605601  0.38370206
   0.16893290  0.42817023  0.11312294
   0.41484953  0.33426146  0.24893138
   0.09259790  0.13809938  0.48039958
   0.40148085  0.10102311  0.85754603
   0.15667685  0.37176439  0.60289439
   0.37678065  0.38071331  0.75751716
   0.16203295  0.71043067  0.00015520
   0.43238196  0.59468315  0.36633028
   0.12985932  0.93451843  0.14897123
   0.36742251  0.85846534  0.28292060
   0.14828125  0.56873509  0.48822410
   0.38787435  0.65495936  0.84234324
   0.11287592  0.86383748  0.58007318
   0.38090729  0.97308002  0.67550870
   0.64884080  0.11790750  0.99062116
   0.85499207  0.17590521  0.33626483
   0.62527586  0.40199262  0.09007073
   0.87949669  0.34551108  0.15468463
   0.63216429  0.19423049  0.49323618
   0.91954484  0.11998458  0.88781852
   0.62714746  0.44310086  0.63211969
   0.78947106  0.41321239  0.82084956
   0.59511442  0.68562752 -0.01603641
   0.92101761  0.58136851  0.34616517
   0.59310973  0.88619045  0.13242319
   0.86690480  0.87896516  0.25415317
   0.68644319  0.66580096  0.46498477
   0.87935821  0.67735609  0.89853877
   0.67560724  0.92665806  0.61941496
   0.89975548  0.91084860  0.74626894
   0.19408543  0.08660121  0.11827428
   0.39293549  0.16796417  0.27202672
   0.16395022  0.32966086  0.01990226
   0.38672933  0.43110144  0.34591648
   0.56421586  0.31431206  0.18603022
   0.31479016  0.40668882  0.16730254
   0.22515578  0.11789927  0.41739627
  -0.02138164  0.20382954  0.40135101
   0.03880899 -0.01677337  0.51264651
   0.44207555  0.23949934  0.80238179
   0.08944287  0.20203400  0.58535576
   0.36800021  0.47723019  0.85504583
   0.47687255  0.45303673  0.67889619
   0.22698709  0.36239939  0.71416594
   0.29489264  0.12396982 -0.06066464
   0.03664215  0.11642510  0.96406508
   0.16341229  0.58903705  0.08549538
   0.40294077  0.69281495  0.27806299
   0.18461826  0.85069832  0.05994939
   0.40417299  0.93237644  0.37461571
   0.45968007  0.90457745  0.19213281
   0.20578633  0.88509587  0.24933553
   0.34560325  0.64989744  0.46050823
   0.08344073  0.56398396  0.37533368
   0.25335235  0.41866588  0.51422006
   0.35631594  0.71169075  0.74022857
   0.11892169  0.71609352  0.53143038
   0.36305220  0.97253592  0.78925377
   0.51863776  0.88665675  0.63969496
   0.26244731  0.89117805  0.61951126
   0.29014118  0.67926035 -0.06791564
   0.01793670  0.71126190  0.95210002
   0.65141733  0.05111389  0.10822564
   0.83044609  0.21576500  0.22617692
   0.61400575  0.27616757  0.00785285
   0.84903941  0.45244710  0.30710807
   0.03215601  0.38775333  0.17502266
   0.77063575  0.45548149  0.11226441
   0.72110233  0.21208034  0.40063489
   0.47432048  0.16223494  0.45846634
   0.67526775  0.04499673  0.53788627
   0.85347961  0.25902491  0.83485502
   0.62798861  0.31902025  0.56506082
   0.88837613  0.51822882  0.86376589
   1.04284510  0.49417843  0.57463225
   0.75604291  0.44893974  0.69847054
   0.79697812  0.06093708  0.95969688
   0.54277506  0.05265022  0.91883879
   0.55384602  0.54303196  0.03322076
   0.90115562  0.72615287  0.28543036
   0.53613123  0.80850162  0.04347479
   0.84061681  0.99467889  0.33331509
   0.97083054  0.92412869  0.16896898
   0.72957313  0.85141151  0.19044342
   0.84188260  0.61850888  0.45721146
   0.58982629  0.58535320  0.39258877
   0.62729949  0.61222063  0.57569540
   0.84927276  0.79205496  0.81825294
   0.62941207  0.81530106  0.42705890
   0.97618822  1.02340625  0.80792823
   1.01142233  0.84772047  0.67545105
   0.75900340  0.97368546  0.70937823
   0.75561061  0.69609403  0.97003446
   0.54542714  0.69885971  0.87184393
   0.74895631  0.81623811  0.58152162
   0.69852011  0.90298795  0.43042216
   0.89897881  0.26135306  0.06686467
   0.69300078  1.12563034  0.15489472
   0.38811999  0.11434333  0.63858387
   0.41208783  1.06350934  1.09458833
   0.36134162  0.72117312 -0.46175705
   0.42354016  1.09094790  0.04472963
   0.65158086  0.39195728  0.86425975
   0.56375682  0.67528669  0.60899916
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863584    0.160941   -0.027048
    -0.000000    9.691771    0.236653
    -0.000000    0.000000   14.157019
   Si   O    H 
    32    64    10
Direct configuration=  3240
   0.17653071  0.16086386  0.01258776
   0.38452936  0.09588139  0.38355950
   0.16930646  0.42852461  0.11338312
   0.41499376  0.33485631  0.24848194
   0.09286675  0.13684408  0.48159576
   0.40175809  0.10146824  0.85777512
   0.15545736  0.37173179  0.60411074
   0.37673463  0.38168207  0.75817571
   0.16390950  0.71117702 -0.00020340
   0.43434831  0.59488011  0.36622725
   0.12969346  0.93470227  0.14912641
   0.36754270  0.85735392  0.28233259
   0.14777258  0.56843296  0.48827249
   0.38788023  0.65421170  0.84340333
   0.11322779  0.86379471  0.58026948
   0.38299237  0.97178548  0.67560735
   0.64726995  0.11784046  0.99016718
   0.85590876  0.17599077  0.33672183
   0.62399201  0.40260333  0.09066526
   0.88036459  0.34530866  0.15492965
   0.63272762  0.19429493  0.49399236
   0.91913199  0.11912011  0.88793447
   0.62749868  0.44339671  0.63223759
   0.79009172  0.41232603  0.81930308
   0.59592111  0.68543906 -0.01581907
   0.92001233  0.58115251  0.34619698
   0.59443249  0.88463853  0.13231059
   0.86714015  0.87823249  0.25465643
   0.68816328  0.66410349  0.46455565
   0.87935112  0.67819455  0.89740214
   0.67509623  0.92583282  0.61974152
   0.89997679  0.91193935  0.74633425
   0.19514232  0.08705669  0.11875307
   0.39320232  0.16912655  0.27161871
   0.16425721  0.32883451  0.01946388
   0.38739567  0.43224056  0.34631824
   0.56481129  0.31302321  0.18518209
   0.31622383  0.40567259  0.16728302
   0.22479687  0.11850810  0.41793161
  -0.02032088  0.20455816  0.40234305
   0.04049048 -0.01525070  0.51242487
   0.44196360  0.23893602  0.80279121
   0.08959022  0.20270544  0.58579069
   0.36684519  0.47652701  0.85568114
   0.47678684  0.45158734  0.67946249
   0.22770561  0.36206700  0.71585817
   0.29548752  0.12367535 -0.05875720
   0.03797225  0.11775648  0.96393264
   0.16235297  0.58976123  0.08606154
   0.40413871  0.69310217  0.27740625
   0.18432876  0.85235984  0.06033762
   0.40160952  0.93012219  0.37526070
   0.46026185  0.90633651  0.19286928
   0.20503131  0.88461608  0.24922759
   0.34487357  0.64960549  0.45992891
   0.08416667  0.56423462  0.37530012
   0.25507833  0.41744080  0.51476230
   0.35779652  0.71177266  0.74047597
   0.12109624  0.71526950  0.53219418
   0.36288260  0.97544064  0.78913094
   0.51889745  0.88600348  0.64021729
   0.26406409  0.89089458  0.61913683
   0.28970927  0.68133515 -0.06793736
   0.01755907  0.71325454  0.95258643
   0.65411178  0.05058359  0.10794685
   0.83105940  0.21784506  0.22535101
   0.61225805  0.27859380  0.00747897
   0.84981099  0.45205200  0.30619759
   0.03142631  0.38828777  0.17564144
   0.77185395  0.45655650  0.11118361
   0.72000981  0.21286899  0.40038956
   0.47412493  0.16186183  0.45891274
   0.67635106  0.04610248  0.53785743
   0.85320479  0.25945412  0.83475962
   0.63020213  0.31983138  0.56502830
   0.88628900  0.51606016  0.86381872
   1.04254745  0.49176218  0.57570283
   0.75581354  0.45102132  0.69919365
   0.79743014  0.06060157  0.96019466
   0.54441827  0.05220650  0.91939363
   0.55334227  0.54168499  0.03251974
   0.90188529  0.72788343  0.28454976
   0.53631998  0.80933914  0.04346540
   0.84089615  0.99435382  0.33284025
   0.97176099  0.92260019  0.16951641
   0.73011669  0.85057273  0.18838162
   0.84316084  0.61983989  0.45677283
   0.59074196  0.58338619  0.39205279
   0.62717273  0.61331792  0.57686489
   0.84844306  0.79167954  0.81945467
   0.62831208  0.81461877  0.42796277
   0.97478232  1.02429214  0.80829398
   1.00912589  0.84860548  0.67630160
   0.75949824  0.97408029  0.70876028
   0.75704582  0.69571199  0.96877125
   0.54531253  0.69835748  0.87238060
   0.75691104  0.80798723  0.58439942
   0.68526142  0.88523687  0.42987964
   0.89615071  0.27058330  0.06807909
   0.69576279  1.11635627  0.14851453
   0.39437601  0.11394982  0.63405618
   0.40891237  1.07378298  1.09620276
   0.35212009  0.71535028 -0.47755210
   0.42600374  1.08230962  0.04506608
   0.65401841  0.38751810  0.86312711
   0.55673306  0.66458979  0.61781127
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861815    0.161704   -0.026581
    -0.000000    9.689522    0.236617
    -0.000000    0.000000   14.153946
   Si   O    H 
    32    64    10
Direct configuration=  3241
   0.17510954  0.16001331  0.01310314
   0.38372526  0.09564451  0.38310255
   0.16966511  0.42828931  0.11337252
   0.41519507  0.33515674  0.24816200
   0.09321182  0.13619678  0.48260122
   0.40184286  0.10153300  0.85807780
   0.15406737  0.37189493  0.60500476
   0.37652874  0.38363386  0.75967507
   0.16605451  0.71186084 -0.00038338
   0.43622508  0.59455996  0.36614695
   0.12954701  0.93441143  0.14888469
   0.36655781  0.85568875  0.28134565
   0.14729826  0.56775846  0.48888249
   0.38834230  0.65331562  0.84445710
   0.11311589  0.86396883  0.58106697
   0.38529104  0.97015427  0.67568461
   0.64619634  0.11765569  0.98947402
   0.85625136  0.17555246  0.33733981
   0.62287270  0.40314679  0.09129066
   0.88115047  0.34446014  0.15570323
   0.63320976  0.19400082  0.49405833
   0.91852741  0.11858375  0.88825243
   0.62783660  0.44471754  0.63276700
   0.79030924  0.41155921  0.81774082
   0.59638023  0.68484366 -0.01621236
   0.91928893  0.58176429  0.34664925
   0.59612663  0.88255909  0.13251603
   0.86707483  0.87779159  0.25481071
   0.68956491  0.66320328  0.46406825
   0.87964054  0.67875716  0.89666248
   0.67466837  0.92556461  0.61980726
   0.90047303  0.91248051  0.74661836
   0.19592539  0.08717997  0.11918076
   0.39343414  0.16983370  0.27168118
   0.16380191  0.32823257  0.01929266
   0.38890457  0.43358015  0.34642238
   0.56574856  0.31275203  0.18446714
   0.31751554  0.40438056  0.16727512
   0.22499669  0.11961169  0.41857584
  -0.01951537  0.20571220  0.40324003
   0.04200454 -0.01400626  0.51234775
   0.44148139  0.23814073  0.80351247
   0.09003514  0.20395993  0.58644254
   0.36590290  0.47569668  0.85579331
   0.47615955  0.45075701  0.68000291
   0.22850165  0.36182774  0.71680590
   0.29611573  0.12293846 -0.05788343
   0.03925312  0.11858018  0.96381903
   0.16182912  0.59070014  0.08613531
   0.40528403  0.69273130  0.27679190
   0.18463804  0.85375933  0.06103027
   0.39960394  0.92817671  0.37623973
   0.46019187  0.90866774  0.19369116
   0.20454614  0.88427900  0.24961354
   0.34391095  0.64890588  0.46008005
   0.08500235  0.56420052  0.37504705
   0.25569002  0.41711151  0.51487572
   0.35937020  0.71136169  0.74054455
   0.12304672  0.71509865  0.53256857
   0.36134113  0.97831666  0.78923912
   0.51945074  0.88537709  0.64075806
   0.26569480  0.89128008  0.61830108
   0.28947384  0.68406164 -0.06769141
   0.01786070  0.71552504  0.95265308
   0.65610542  0.05070556  0.10716270
   0.83229641  0.22006885  0.22480979
   0.61052124  0.28097406  0.00710240
   0.85016737  0.45024523  0.30519570
   0.03127947  0.38875446  0.17685004
   0.77320945  0.45794434  0.10991147
   0.71906656  0.21449450  0.40018416
   0.47524285  0.16149388  0.45972612
   0.67804686  0.04714916  0.53760698
   0.85365362  0.25969730  0.83510858
   0.63289973  0.32044005  0.56455290
   0.88506365  0.51547444  0.86418270
   1.04281235  0.48946215  0.57708159
   0.75614154  0.45267805  0.69985961
   0.79800059  0.06016368  0.96056099
   0.54611050  0.05234397  0.91994827
   0.55222680  0.53924310  0.03227769
   0.90293037  0.72847101  0.28361642
   0.53741287  0.81068930  0.04334619
   0.84173158  0.99354735  0.33173514
   0.97213859  0.92086053  0.16951492
   0.73065139  0.84878885  0.18684686
   0.84436495  0.62115570  0.45558835
   0.59198837  0.58163761  0.39191575
   0.62704843  0.61341879  0.57822401
   0.84713838  0.79153947  0.82058346
   0.62673709  0.81247584  0.42941310
   0.97433372  1.02508294  0.80818894
   1.00751089  0.84953987  0.67641156
   0.75962886  0.97428017  0.70807576
   0.75848317  0.69482854  0.96756336
   0.54553057  0.69860232  0.87316494
   0.76390511  0.79928340  0.58499433
   0.68367727  0.88506073  0.42938881
   0.89338430  0.27738114  0.06679871
   0.70137417  1.10745554  0.14628774
   0.40029161  0.10999161  0.62962916
   0.40627856  1.08119329  1.09725972
   0.34129774  0.70251384 -0.50254946
   0.42853829  1.07568934  0.04543158
   0.65669542  0.38607539  0.86296202
   0.54956114  0.65517736  0.62216281
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859952    0.162009   -0.026063
    -0.000000    9.687673    0.237089
    -0.000000    0.000000   14.150766
   Si   O    H 
    32    64    10
Direct configuration=  3242
   0.17400665  0.15935535  0.01391197
   0.38212598  0.09592768  0.38265755
   0.16984503  0.42842694  0.11320603
   0.41467531  0.33569606  0.24784603
   0.09302533  0.13575659  0.48279648
   0.40177837  0.10102841  0.85819455
   0.15293346  0.37176147  0.60639877
   0.37629474  0.38593896  0.76116005
   0.16729488  0.71299346 -0.00054066
   0.43818117  0.59399110  0.36576296
   0.12985412  0.93409950  0.14833089
   0.36562953  0.85391717  0.28016006
   0.14618964  0.56726147  0.48894353
   0.38890261  0.65256856  0.84544278
   0.11305806  0.86335108  0.58174867
   0.38680554  0.96790985  0.67542933
   0.64554844  0.11764550  0.98870253
   0.85653830  0.17486899  0.33819572
   0.62117987  0.40341302  0.09170588
   0.88249466  0.34330284  0.15619881
   0.63378665  0.19344371  0.49437954
   0.91691816  0.11818577  0.88880449
   0.62796787  0.44574597  0.63349097
   0.78988096  0.41051476  0.81602987
   0.59722764  0.68354482 -0.01652798
   0.91823161  0.58282912  0.34694464
   0.59749123  0.88062578  0.13300390
   0.86668700  0.87684134  0.25490264
   0.69087027  0.66229747  0.46414695
   0.88019664  0.67922049  0.89630932
   0.67463894  0.92505277  0.61987380
   0.90044456  0.91242671  0.74719998
   0.19705311  0.08730959  0.11954271
   0.39294607  0.17075713  0.27148524
   0.16320182  0.32747024  0.01962273
   0.39095719  0.43451360  0.34652609
   0.56691668  0.31303499  0.18368289
   0.31850605  0.40358533  0.16763202
   0.22525562  0.12049507  0.41897454
  -0.01787680  0.20715976  0.40424439
   0.04379754 -0.01391643  0.51275582
   0.44041733  0.23785894  0.80421046
   0.09059095  0.20569448  0.58759338
   0.36524695  0.47540652  0.85598331
   0.47623490  0.45029246  0.68044280
   0.22926975  0.36187876  0.71712867
   0.29733292  0.12269452 -0.05800654
   0.03997066  0.11971270  0.96296060
   0.16147082  0.59107481  0.08631213
   0.40682579  0.69238501  0.27642930
   0.18396289  0.85426377  0.06117016
   0.39763236  0.92646631  0.37661011
   0.46011640  0.91090407  0.19453491
   0.20440009  0.88347889  0.25026752
   0.34335789  0.64509665  0.45744702
   0.08609724  0.56445286  0.37519512
   0.25647960  0.41712289  0.51479894
   0.36049477  0.70994930  0.74076119
   0.12477282  0.71556316  0.53311294
   0.35905173  0.98061991  0.78946342
   0.51971224  0.88472205  0.64099561
   0.26695725  0.89173567  0.61734313
   0.28932194  0.68561849 -0.06787697
   0.01758990  0.71757139  0.95280629
   0.65581223  0.04986592  0.10534966
   0.83328582  0.22153022  0.22474857
   0.60983051  0.28376392  0.00620226
   0.85019878  0.44858981  0.30410871
   0.03190677  0.38915818  0.17761342
   0.77476966  0.45884128  0.10867136
   0.71874501  0.21632527  0.39955874
   0.47675540  0.16115980  0.46065892
   0.68033531  0.04710496  0.53736106
   0.85464719  0.26001642  0.83549375
   0.63596484  0.32012069  0.56429815
   0.88490614  0.51584844  0.86503473
   1.04306859  0.48712056  0.57846763
   0.75623455  0.45405884  0.70124057
   0.79811087  0.06048629  0.96098150
   0.54681199  0.05200889  0.91986161
   0.55179619  0.53590417  0.03253085
   0.90403702  0.72863970  0.28355134
   0.53776466  0.81220365  0.04326702
   0.84213163  0.99287020  0.33136446
   0.97214883  0.91912002  0.16937699
   0.73138133  0.84684508  0.18635928
   0.84580569  0.62237895  0.45482094
   0.59371164  0.58014727  0.39162274
   0.62599042  0.61337605  0.57931458
   0.84635088  0.79217228  0.82125151
   0.62516012  0.81009189  0.43103580
   0.97380084  1.02611939  0.80811789
   1.00613897  0.85027382  0.67646259
   0.76048015  0.97438030  0.70778734
   0.75951055  0.69395622  0.96679922
   0.54564249  0.69914860  0.87412854
   0.76590233  0.79388519  0.58538661
   0.69296954  0.89904888  0.42834178
   0.89465434  0.27915425  0.06348591
   0.71959157  1.10787434  0.15386018
   0.40511382  0.10609659  0.62594204
   0.40324541  1.08741147  1.09448597
   0.33242791  0.74828866 -0.49117808
   0.43264662  1.06941287  0.05037930
   0.66006281  0.38758416  0.86513803
   0.55087231  0.64773666  0.61738641
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857566    0.161800   -0.025839
    -0.000000    9.685822    0.237177
    -0.000000    0.000000   14.147533
   Si   O    H 
    32    64    10
Direct configuration=  3243
   0.17255982  0.15893413  0.01484930
   0.38028014  0.09685470  0.38239120
   0.17043146  0.42790050  0.11297945
   0.41425041  0.33666040  0.24733885
   0.09297430  0.13537690  0.48272600
   0.40233343  0.10096809  0.85820850
   0.15245303  0.37102392  0.60799804
   0.37592864  0.38781065  0.76310220
   0.16824560  0.71436660 -0.00044859
   0.43888217  0.59291985  0.36548443
   0.13047768  0.93356840  0.14834831
   0.36462748  0.85262947  0.27907290
   0.14586230  0.56633231  0.48896739
   0.38932446  0.65234652  0.84649717
   0.11279309  0.86277015  0.58218702
   0.38723513  0.96531367  0.67524313
   0.64495473  0.11817985  0.98832088
   0.85652061  0.17382892  0.33945493
   0.61970978  0.40415204  0.09207586
   0.88385283  0.34225610  0.15603822
   0.63360522  0.19271107  0.49469939
   0.91472336  0.11800567  0.88929214
   0.62819559  0.44694183  0.63421708
   0.78981189  0.40913099  0.81429845
   0.59835994  0.68257534 -0.01717161
   0.91710536  0.58396306  0.34731821
   0.59821898  0.87987308  0.13397499
   0.86647864  0.87585381  0.25445628
   0.69163073  0.66171034  0.46395992
   0.88111250  0.67998084  0.89570026
   0.67436689  0.92460164  0.62002388
   0.90065743  0.91213378  0.74803859
   0.19853994  0.08733164  0.11988300
   0.39273667  0.17224629  0.27212890
   0.16347600  0.32678647  0.02003181
   0.39256863  0.43542759  0.34596859
   0.56698120  0.31369758  0.18289289
   0.31906526  0.40283853  0.16744201
   0.22533748  0.12242849  0.41926138
  -0.01630055  0.20871173  0.40503917
   0.04608010 -0.01448776  0.51339002
   0.43905329  0.23803379  0.80482944
   0.09072815  0.20706907  0.58836303
   0.36394879  0.47527612  0.85578390
   0.47633572  0.44963815  0.68104478
   0.23030296  0.36105174  0.71666042
   0.29772821  0.12291860 -0.05828355
   0.04122634  0.12092783  0.96137517
   0.16095146  0.59137220  0.08609610
   0.40920627  0.69230119  0.27607775
   0.18393719  0.85482204  0.06112790
   0.39606305  0.92620944  0.37701697
   0.45954907  0.91277174  0.19506852
   0.20375381  0.88248472  0.25042724
   0.34254658  0.64280800  0.45544052
   0.08692016  0.56498346  0.37547534
   0.25719975  0.41717365  0.51581397
   0.36086457  0.70869905  0.74162314
   0.12740517  0.71636937  0.53381403
   0.35749344  0.98306523  0.78981518
   0.51994651  0.88413052  0.64118183
   0.26787616  0.89276979  0.61617808
   0.28860897  0.68664733 -0.06800365
   0.01787165  0.71933993  0.95225949
   0.65602293  0.05005420  0.10390490
   0.83466971  0.22245364  0.22519203
   0.60982633  0.28534954  0.00526459
   0.85044624  0.44747028  0.30313621
   0.03278691  0.38954342  0.17845773
   0.77622812  0.45887192  0.10730852
   0.71957381  0.21844136  0.39865040
   0.47803295  0.16069504  0.46111742
   0.68237549  0.04726944  0.53747841
   0.85564529  0.25962140  0.83540883
   0.63883080  0.31925633  0.56399799
   0.88484937  0.51747782  0.86540934
   1.04215000  0.48482918  0.57932249
   0.75653804  0.45585384  0.70275119
   0.79874075  0.06050048  0.96125100
   0.54660372  0.05103777  0.91975998
   0.55087942  0.53350674  0.03335790
   0.90586562  0.72778489  0.28397651
   0.53829218  0.81348193  0.04316771
   0.84216085  0.99171991  0.33107584
   0.97264670  0.91876206  0.16967708
   0.73216242  0.84502058  0.18631983
   0.84794556  0.62404984  0.45420065
   0.59552945  0.57884454  0.39183406
   0.62510294  0.61282109  0.57999681
   0.84599019  0.79380455  0.82144603
   0.62508236  0.80806397  0.43212079
   0.97376466  1.02688815  0.80793547
   1.00494020  0.85138394  0.67557402
   0.76152517  0.97441281  0.70757635
   0.75909837  0.69335822  0.96608207
   0.54550959  0.69917201  0.87486644
   0.76298353  0.79408125  0.58799783
   0.69236421  0.89975200  0.42575153
   0.89734559  0.27427627  0.05956723
   0.73077007  1.10514087  0.15485649
   0.40427110  0.10144508  0.62710551
   0.40107948  1.09307278  1.09445314
   0.33094870  0.77314786 -0.49078013
   0.43230088  1.06430651  0.05270110
   0.65898603  0.39546354  0.86737936
   0.54972685  0.64692032  0.61394336
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855541    0.161606   -0.025419
    -0.000000    9.683680    0.237512
    -0.000000    0.000000   14.144199
   Si   O    H 
    32    64    10
Direct configuration=  3244
   0.17180198  0.15910443  0.01537671
   0.37827138  0.09801553  0.38252114
   0.17130001  0.42689636  0.11254034
   0.41392790  0.33766421  0.24709472
   0.09290687  0.13559711  0.48260908
   0.40341166  0.10065337  0.85849131
   0.15202038  0.36957992  0.60934182
   0.37566030  0.38951332  0.76482799
   0.16849789  0.71577955 -0.00013745
   0.43930449  0.59215877  0.36504259
   0.13101446  0.93239283  0.14875793
   0.36374428  0.85164049  0.27784191
   0.14565495  0.56539536  0.48836451
   0.38978480  0.65271982  0.84711612
   0.11182130  0.86190653  0.58263752
   0.38813015  0.96296701  0.67547304
   0.64449772  0.11823099  0.98827743
   0.85636388  0.17264968  0.34056359
   0.61844154  0.40468908  0.09175000
   0.88454231  0.34162059  0.15574290
   0.63342574  0.19184771  0.49512163
   0.91257829  0.11771718  0.88955073
   0.62765547  0.44830800  0.63475570
   0.78960570  0.40814010  0.81258571
   0.59984790  0.68197365 -0.01774562
   0.91629246  0.58454563  0.34754831
   0.59851452  0.87916890  0.13499972
   0.86607782  0.87536828  0.25347863
   0.69244044  0.66105341  0.46354737
   0.88158729  0.68083816  0.89606066
   0.67376192  0.92386537  0.61985957
   0.90112256  0.91188054  0.74864037
   0.19945678  0.08764620  0.12025553
   0.39273641  0.17370992  0.27296219
   0.16413830  0.32509936  0.02073102
   0.39382153  0.43597804  0.34538181
   0.56607431  0.31530537  0.18222837
   0.31895850  0.40192436  0.16751812
   0.22569239  0.12429036  0.41905989
  -0.01504662  0.21005256  0.40527541
   0.04802625 -0.01564363  0.51423063
   0.43797194  0.23795871  0.80449918
   0.09098605  0.20935382  0.58957735
   0.36243766  0.47600774  0.85572911
   0.47633057  0.44929758  0.68148929
   0.23068928  0.36053348  0.71560084
   0.29727801  0.12254529 -0.05882361
   0.04189959  0.12209141  0.96023074
   0.16031139  0.59080574  0.08610999
   0.41122764  0.69216094  0.27600913
   0.18384652  0.85482291  0.06115427
   0.39459046  0.92573348  0.37739276
   0.45936329  0.91454461  0.19555195
   0.20402312  0.88074081  0.25035311
   0.34208584  0.64177555  0.45443097
   0.08763719  0.56575930  0.37610550
   0.25672270  0.41749546  0.51639903
   0.36137127  0.70685948  0.74258590
   0.12995361  0.71748451  0.53428369
   0.35572831  0.98532673  0.78973771
   0.51936326  0.88305412  0.64120809
   0.26852163  0.89397651  0.61499871
   0.28731992  0.68842796 -0.06794337
   0.01772549  0.72080449  0.95135800
   0.65650834  0.05108746  0.10257680
   0.83498402  0.22231421  0.22599425
   0.61006005  0.28655430  0.00377857
   0.85158144  0.44672391  0.30197982
   0.03468125  0.39095723  0.17853807
   0.77727809  0.45865479  0.10636738
   0.72090015  0.21979654  0.39803645
   0.47897792  0.16023874  0.46159299
   0.68452623  0.04690919  0.53746641
   0.85654888  0.25901949  0.83551444
   0.64222377  0.31891063  0.56314863
   0.88576628  0.51964445  0.86537346
   1.04082626  0.48224142  0.58002490
   0.75743131  0.45718327  0.70413691
   0.79855359  0.06139310  0.96160868
   0.54558600  0.05000928  0.91973550
   0.55003956  0.53104394  0.03443904
   0.90724543  0.72567678  0.28433798
   0.53898430  0.81398544  0.04265281
   0.84085307  0.99086844  0.33090147
   0.97356542  0.91882896  0.17031839
   0.73325800  0.84374197  0.18640543
   0.85038405  0.62537974  0.45351944
   0.59697013  0.57736339  0.39253782
   0.62475005  0.61160492  0.58056187
   0.84544846  0.79494398  0.82111661
   0.62550415  0.80776059  0.43299304
   0.97405199  1.02688463  0.80787837
   1.00368093  0.85285375  0.67454711
   0.76219586  0.97429612  0.70747669
   0.75841453  0.69303678  0.96533056
   0.54441731  0.69907659  0.87602810
   0.75731735  0.79735214  0.59156714
   0.68290891  0.88868426  0.42665207
   0.89934171  0.27029330  0.05662772
   0.73339964  1.09577874  0.15016257
   0.40255498  0.09967054  0.63083044
   0.39980639  1.09950475  1.09117051
   0.33209537  0.78174824 -0.49586762
   0.43102005  1.06038072  0.05627308
   0.65806265  0.40546668  0.86808471
   0.53783795  0.65326092  0.61016257
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853208    0.161159   -0.024902
    -0.000000    9.681395    0.237412
    -0.000000    0.000000   14.140892
   Si   O    H 
    32    64    10
Direct configuration=  3245
   0.17095169  0.15948124  0.01564312
   0.37702268  0.09936105  0.38259250
   0.17131998  0.42603740  0.11177256
   0.41489541  0.33842232  0.24745014
   0.09185191  0.13674018  0.48258781
   0.40494402  0.10045471  0.85922585
   0.15196316  0.36765928  0.61090835
   0.37586904  0.39118866  0.76661893
   0.16800996  0.71712029  0.00008444
   0.43982564  0.59128585  0.36526458
   0.13202670  0.93106744  0.14918355
   0.36309420  0.85096670  0.27666426
   0.14581270  0.56366865  0.48791803
   0.39017478  0.65273391  0.84741496
   0.11097384  0.86135549  0.58317520
   0.38861103  0.96079038  0.67649970
   0.64398861  0.11810072  0.98828381
   0.85604851  0.17212056  0.34216196
   0.61728218  0.40500203  0.09120654
   0.88514121  0.34089609  0.15536270
   0.63297002  0.19044903  0.49524619
   0.91029237  0.11795716  0.89010481
   0.62671617  0.44889046  0.63525857
   0.78904065  0.40716565  0.81128563
   0.60105341  0.68136205 -0.01786681
   0.91605829  0.58433306  0.34794923
   0.59825212  0.87921348  0.13589411
   0.86578671  0.87555018  0.25278878
   0.69271785  0.66059218  0.46308941
   0.88162330  0.68126144  0.89699363
   0.67343464  0.92336474  0.61947355
   0.90069476  0.91147236  0.74891879
   0.19944837  0.08780777  0.12081878
   0.39305929  0.17489849  0.27421985
   0.16545624  0.32333578  0.02196196
   0.39487266  0.43558340  0.34454613
   0.56560756  0.31759668  0.18252324
   0.31796316  0.40109627  0.16704273
   0.22672141  0.12698219  0.41900836
  -0.01373050  0.20986541  0.40596580
   0.04936802 -0.01720173  0.51516605
   0.43741253  0.23822647  0.80380230
   0.09084553  0.21199264  0.58949886
   0.36150531  0.47699587  0.85608136
   0.47703602  0.44822929  0.68203797
   0.23120991  0.36033957  0.71475020
   0.29558834  0.12259556 -0.05903173
   0.04184856  0.12388188  0.95829515
   0.16003305  0.59075843  0.08575585
   0.41377233  0.69119461  0.27621345
   0.18376595  0.85397037  0.06035836
   0.39336796  0.92580359  0.37760660
   0.45924310  0.91649851  0.19570860
   0.20348493  0.87825251  0.25052275
   0.34102928  0.64210509  0.45385549
   0.08805193  0.56618584  0.37709592
   0.25603190  0.41881171  0.51678907
   0.36172389  0.70452370  0.74320923
   0.13189788  0.71822204  0.53499436
   0.35400345  0.98789739  0.78954619
   0.51904084  0.88249282  0.64120512
   0.26897239  0.89603001  0.61390472
   0.28580826  0.68999932 -0.06796200
   0.01728641  0.72220989  0.95057560
   0.65726985  0.05276802  0.10133059
   0.83494723  0.22113805  0.22743982
   0.61093420  0.28731785  0.00240631
   0.85307220  0.44661828  0.30099700
   0.03686505  0.39245599  0.17838942
   0.77850368  0.45810216  0.10569450
   0.72203811  0.21988144  0.39709694
   0.48007283  0.15916074  0.46183372
   0.68638023  0.04532883  0.53777704
   0.85769513  0.25852947  0.83470901
   0.64607801  0.31896380  0.56245304
   0.88666419  0.52131323  0.86556167
   1.03958021  0.48064438  0.58082726
   0.75747546  0.45896345  0.70561012
   0.79770353  0.06242259  0.96198641
   0.54430101  0.04892585  0.91943218
   0.54874519  0.52935053  0.03526214
   0.90864313  0.72317953  0.28549202
   0.53944777  0.81422240  0.04180647
   0.83962310  0.98998057  0.33087188
   0.97406245  0.91966759  0.17048066
   0.73370900  0.84152137  0.18700685
   0.85219105  0.62650605  0.45335250
   0.59949130  0.57558959  0.39273542
   0.62421738  0.61025252  0.58136986
   0.84525173  0.79635466  0.82054192
   0.62594828  0.80790326  0.43391478
   0.97425600  1.02687172  0.80759185
   1.00301634  0.85377810  0.67308048
   0.76242491  0.97440793  0.70699870
   0.75777432  0.69340982  0.96533224
   0.54207851  0.69821199  0.87691662
   0.75112889  0.80114551  0.59402690
   0.67396251  0.87984584  0.42727218
   0.90472932  0.26758318  0.05838763
   0.72839230  1.08379095  0.13897553
   0.40008266  0.10066893  0.63379125
   0.40036786  1.10525269  1.08996350
   0.33775370  0.77697070 -0.50799294
   0.42651712  1.05497865  0.05618226
   0.65886050  0.41335509  0.86684317
   0.53251836  0.65873694  0.60262076
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851003    0.160711   -0.023951
    -0.000000    9.679373    0.237112
    -0.000000    0.000000   14.136974
   Si   O    H 
    32    64    10
Direct configuration=  3246
   0.17036053  0.15943968  0.01594268
   0.37590062  0.10087766  0.38258792
   0.17142765  0.42544834  0.11093299
   0.41672147  0.33928187  0.24761605
   0.09089033  0.13757197  0.48257860
   0.40589784  0.09971319  0.86052154
   0.15193107  0.36602418  0.61199873
   0.37631455  0.39235676  0.76827711
   0.16731061  0.71796049 -0.00010337
   0.44002202  0.59043395  0.36539339
   0.13290608  0.93018221  0.14996977
   0.36259963  0.85055914  0.27580712
   0.14562473  0.56163274  0.48753103
   0.39011463  0.65263777  0.84786211
   0.11036073  0.86087572  0.58369144
   0.38886003  0.95964799  0.67723832
   0.64408665  0.11811669  0.98837073
   0.85517550  0.17192620  0.34357955
   0.61659745  0.40536445  0.09050631
   0.88556602  0.34022354  0.15476718
   0.63271324  0.18961893  0.49519735
   0.90882342  0.11859720  0.89106908
   0.62548016  0.44932339  0.63574876
   0.78874726  0.40620661  0.81028955
   0.60130863  0.68029497 -0.01799423
   0.91658462  0.58337389  0.34834755
   0.59797402  0.88005997  0.13680865
   0.86559832  0.87591278  0.25193233
   0.69327214  0.66044973  0.46273746
   0.88240957  0.68115546  0.89796446
   0.67354991  0.92291684  0.61921449
   0.90032977  0.91099130  0.74914810
   0.19896021  0.08811430  0.12143351
   0.39343716  0.17593148  0.27565377
   0.16695321  0.32172221  0.02275733
   0.39588530  0.43420132  0.34342498
   0.56464950  0.32015088  0.18268257
   0.31631575  0.40105846  0.16640463
   0.22738318  0.12905468  0.41938699
  -0.01274614  0.20955486  0.40641976
   0.05005327 -0.01796713  0.51610836
   0.43672019  0.23856730  0.80310304
   0.09066734  0.21483683  0.58920585
   0.36136664  0.47928376  0.85680844
   0.47772597  0.44741707  0.68296539
   0.23176252  0.35968587  0.71397519
   0.29276554  0.12206097 -0.05942097
   0.04154372  0.12475010  0.95621740
   0.16018741  0.59139715  0.08521011
   0.41584212  0.69049827  0.27658082
   0.18399417  0.85289696  0.05999618
   0.39182816  0.92616790  0.37755834
   0.45886907  0.91838447  0.19547638
   0.20338763  0.87615799  0.25018648
   0.33983814  0.64373704  0.45372398
   0.08896162  0.56661346  0.37798495
   0.25509585  0.41992617  0.51724529
   0.36222749  0.70195999  0.74383017
   0.13321210  0.71934694  0.53452364
   0.35288910  0.98995780  0.78885397
   0.51933400  0.88191728  0.64127970
   0.26964641  0.89810119  0.61272650
   0.28576134  0.69110578 -0.06774105
   0.01661216  0.72294313  0.94995825
   0.65678224  0.05297576  0.10019284
   0.83588476  0.21948982  0.22907894
   0.61128248  0.28693831  0.00116214
   0.85487735  0.44657641  0.29982414
   0.03955698  0.39358299  0.17835577
   0.77896017  0.45779218  0.10515187
   0.72275966  0.21979042  0.39661084
   0.48174445  0.15839085  0.46160089
   0.68837289  0.04368865  0.53888548
   0.85921674  0.25765011  0.83375785
   0.64900547  0.31938344  0.56152045
   0.88705085  0.52276658  0.86547964
   1.03829433  0.47967385  0.58162942
   0.75791749  0.46066331  0.70684967
   0.79676894  0.06406310  0.96210386
   0.54347202  0.04808041  0.91904382
   0.54742056  0.52790244  0.03590801
   0.90953244  0.72127298  0.28702601
   0.54018924  0.81341065  0.04117222
   0.83940620  0.98932394  0.33073283
   0.97409061  0.92008405  0.17117211
   0.73408036  0.83933663  0.18785354
   0.85464849  0.62795250  0.45382314
   0.60199755  0.57363625  0.39235382
   0.62352533  0.60902352  0.58242047
   0.84389207  0.79785913  0.81992119
   0.62547655  0.80677696  0.43497118
   0.97474824  1.02668266  0.80708160
   1.00253418  0.85428573  0.67191652
   0.76355151  0.97442428  0.70681459
   0.75757562  0.69380674  0.96590289
   0.53999106  0.69733216  0.87778621
   0.74890613  0.80618447  0.59346450
   0.68437532  0.90439828  0.42680219
   0.90812794  0.26251796  0.06377447
   0.73629811  1.07522330  0.13447756
   0.39823938  0.10477587  0.63783351
   0.39964587  1.11068060  1.08665211
   0.34555406  0.75134420 -0.52544699
   0.42449637  1.04863721  0.05737557
   0.65710366  0.41969237  0.86545804
   0.53638486  0.65963113  0.59307731
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848850    0.160017   -0.022697
    -0.000000    9.677536    0.237431
    -0.000000    0.000000   14.132974
   Si   O    H 
    32    64    10
Direct configuration=  3247
   0.17029060  0.15951804  0.01570148
   0.37537324  0.10247227  0.38234426
   0.17135244  0.42528510  0.11029038
   0.41857897  0.33972093  0.24818822
   0.08888139  0.13876553  0.48275268
   0.40706591  0.09914341  0.86189478
   0.15232394  0.36466552  0.61289886
   0.37630683  0.39348561  0.76946739
   0.16564484  0.71854163 -0.00026144
   0.44022444  0.58936226  0.36576649
   0.13450869  0.92939366  0.15066177
   0.36221178  0.84916940  0.27492139
   0.14581660  0.56004521  0.48711651
   0.38983298  0.65239266  0.84791756
   0.10962640  0.85977567  0.58467295
   0.38838862  0.95900048  0.67846324
   0.64404842  0.11796334  0.98838680
   0.85470451  0.17177554  0.34446332
   0.61612465  0.40523814  0.08960012
   0.88558509  0.33954052  0.15415577
   0.63285220  0.18877435  0.49434806
   0.90768053  0.11917216  0.89164612
   0.62452176  0.44847423  0.63633535
   0.78880169  0.40640841  0.80961512
   0.60132181  0.67918553 -0.01772303
   0.91647473  0.58213942  0.34870910
   0.59798174  0.88114502  0.13778327
   0.86547780  0.87541858  0.25084175
   0.69420445  0.66037936  0.46215332
   0.88388623  0.68036890  0.89834838
   0.67415602  0.92255407  0.61919142
   0.90038394  0.91067972  0.74895132
   0.19803175  0.08890909  0.12214888
   0.39306499  0.17677264  0.27727995
   0.16809311  0.32018259  0.02371957
   0.39639082  0.43267132  0.34248254
   0.56337435  0.32208332  0.18333147
   0.31492347  0.40139953  0.16612268
   0.22740769  0.13044496  0.41960132
  -0.01208258  0.20879595  0.40682393
   0.05108286 -0.01895740  0.51706463
   0.43700971  0.23900946  0.80215131
   0.09027660  0.21665389  0.58931819
   0.36105602  0.48115134  0.85770194
   0.47763275  0.44596203  0.68397501
   0.23277235  0.35990739  0.71360251
   0.28973092  0.12198609 -0.05970906
   0.04108681  0.12564483  0.95349359
   0.16084057  0.59239816  0.08485699
   0.41777546  0.69002603  0.27735940
   0.18336459  0.85163793  0.05894804
   0.39081170  0.92585256  0.37778726
   0.45859363  0.91967487  0.19476297
   0.20285661  0.87469745  0.25035223
   0.33872560  0.64627195  0.45373547
   0.08946028  0.56699456  0.37909600
   0.25420659  0.42063594  0.51804615
   0.36305377  0.69966045  0.74423717
   0.13488372  0.72068353  0.53431102
   0.35217772  0.99175272  0.78802269
   0.51971293  0.88112094  0.64110977
   0.27019834  0.89949373  0.61144438
   0.28617672  0.69092275 -0.06695135
   0.01597983  0.72438322  0.94981860
   0.65567240  0.05223647  0.09923602
   0.83638874  0.21753701  0.23108577
   0.61251322  0.28669343  0.00005079
   0.85581928  0.44649218  0.29872466
   0.04199794  0.39421622  0.17834636
   0.77911530  0.45735248  0.10447227
   0.72273390  0.22011365  0.39630332
   0.48360553  0.15799105  0.46149882
   0.68935598  0.04199723  0.54012119
   0.86069454  0.25655882  0.83199331
   0.65167165  0.32042246  0.56023694
   0.88728655  0.52430169  0.86468958
   1.03723643  0.47881279  0.58197203
   0.75861180  0.46170245  0.70731037
   0.79536485  0.06606515  0.96154277
   0.54270543  0.04731785  0.91823809
   0.54628959  0.52789519  0.03663482
   0.91031626  0.72085073  0.28867711
   0.54173413  0.81241265  0.04067053
   0.83944264  0.98881909  0.33102861
   0.97465285  0.92095258  0.17187604
   0.73445692  0.83809150  0.18853867
   0.85709637  0.62846376  0.45391076
   0.60386885  0.57185460  0.39184049
   0.62295843  0.60816508  0.58354947
   0.84206909  0.79846200  0.81905772
   0.62592394  0.80685757  0.43635950
   0.97601575  1.02676073  0.80682124
   1.00275196  0.85519091  0.67133679
   0.76444853  0.97487033  0.70678027
   0.75698788  0.69495760  0.96662393
   0.53776494  0.69667028  0.87824340
   0.74646452  0.80662149  0.59299940
   0.68550174  0.91046801  0.42927710
   0.90877379  0.25375652  0.06973720
   0.75298976  1.07321629  0.13140856
   0.39364670  0.10613021  0.64264312
   0.40299880  1.11354007  1.08034564
   0.35146910  0.71509055 -0.54382533
   0.42076991  1.04839572  0.06172278
   0.65533087  0.42195893  0.86189094
   0.54021224  0.65860428  0.58878650
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846469    0.158708   -0.021906
    -0.000000    9.675187    0.237799
    -0.000000    0.000000   14.128614
   Si   O    H 
    32    64    10
Direct configuration=  3248
   0.17073380  0.15938004  0.01541147
   0.37485185  0.10424469  0.38191340
   0.17191138  0.42613602  0.10995267
   0.42033898  0.34057153  0.24836000
   0.08713361  0.13958564  0.48330545
   0.40811971  0.09813042  0.86359489
   0.15304558  0.36343147  0.61350242
   0.37575379  0.39424501  0.77029125
   0.16399369  0.71871329 -0.00032323
   0.44038291  0.58792212  0.36611761
   0.13619836  0.92893951  0.15145332
   0.36188472  0.84810927  0.27435069
   0.14637250  0.55848469  0.48674758
   0.38878502  0.65195978  0.84782304
   0.10874781  0.85914340  0.58564716
   0.38794434  0.95799525  0.67938389
   0.64382105  0.11852069  0.98866175
   0.85457791  0.17115781  0.34531779
   0.61572753  0.40461393  0.08833295
   0.88541058  0.33896609  0.15401766
   0.63359037  0.18839362  0.49343616
   0.90667984  0.12016299  0.89217894
   0.62374019  0.44739450  0.63752800
   0.78934217  0.40653023  0.80974793
   0.60057274  0.67788296 -0.01771636
   0.91648898  0.58106970  0.34878087
   0.59769538  0.88200164  0.13864334
   0.86519496  0.87441494  0.24960471
   0.69542833  0.66020136  0.46191886
   0.88507279  0.67943256  0.89851965
   0.67466308  0.92185720  0.61935901
   0.89982235  0.91090083  0.74840859
   0.19700918  0.09030367  0.12296967
   0.39306531  0.17768662  0.27885414
   0.16952446  0.31888359  0.02476911
   0.39591110  0.43126031  0.34148168
   0.56220374  0.32425859  0.18431169
   0.31439383  0.40093656  0.16597185
   0.22668814  0.13238284  0.41964293
  -0.01227730  0.20845880  0.40734049
   0.05176947 -0.02009327  0.51706741
   0.43725288  0.24037491  0.80108250
   0.09007518  0.21780292  0.58886598
   0.36085006  0.48268842  0.85888937
   0.47758579  0.44540055  0.68549137
   0.23325257  0.36125992  0.71340633
   0.28705017  0.12197001 -0.05979574
   0.04099894  0.12580032  0.95183497
   0.16188693  0.59311658  0.08456103
   0.41945918  0.68932547  0.27768259
   0.18293326  0.85034126  0.05834451
   0.38953431  0.92565687  0.37769436
   0.45956311  0.92065316  0.19424258
   0.20273158  0.87298403  0.25023136
   0.33693579  0.64127171  0.45296153
   0.09009363  0.56740150  0.38007028
   0.25302747  0.42160271  0.51933243
   0.36385834  0.69772843  0.74395999
   0.13769214  0.72129851  0.53348113
   0.35120997  0.99370412  0.78738134
   0.52090203  0.88039803  0.64100109
   0.27067738  0.90124690  0.61020659
   0.28734977  0.69060805 -0.06687964
   0.01622092  0.72558160  0.95021107
   0.65502407  0.05121408  0.09845609
   0.83708989  0.21496616  0.23220220
   0.61286896  0.28693165 -0.00060471
   0.85710815  0.44669683  0.29772215
   0.04425746  0.39409915  0.17857115
   0.77845268  0.45682741  0.10375312
   0.72231958  0.22020477  0.39671558
   0.48500171  0.15766114  0.46139825
   0.68979889  0.04098535  0.54084831
   0.86255027  0.25531183  0.82993787
   0.65342465  0.32139039  0.55953954
   0.88791630  0.52522885  0.86360028
   1.03618934  0.47867291  0.58203846
   0.75906665  0.46264620  0.70737424
   0.79391946  0.06784702  0.96161656
   0.54197217  0.04629290  0.91750094
   0.54499852  0.52975284  0.03704588
   0.91035030  0.72120671  0.28978290
   0.54324538  0.81160381  0.04043732
   0.83987989  0.98823554  0.33132250
   0.97487907  0.92224131  0.17255382
   0.73469933  0.83776499  0.18889335
   0.85848351  0.62809748  0.45406982
   0.60548983  0.56991525  0.39148218
   0.62356607  0.60797217  0.58438806
   0.84085278  0.79774550  0.81756677
   0.62700247  0.80823883  0.43835768
   0.97712851  1.02722255  0.80635897
   1.00308951  0.85585009  0.67108292
   0.76507979  0.97549833  0.70721249
   0.75569549  0.69603586  0.96762402
   0.53577105  0.69691421  0.87846199
   0.75280015  0.79928826  0.58810461
   0.67958901  0.90017175  0.43517892
   0.90634111  0.24700592  0.07709607
   0.75713875  1.07124162  0.12395314
   0.39114977  0.10632662  0.64623988
   0.40765446  1.11476255  1.07660694
   0.37057406  0.80075494 -0.55282166
   0.41705447  1.04547890  0.06588899
   0.65480697  0.41894420  0.85651224
   0.53339385  0.66334090  0.58689260
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844166    0.157631   -0.021077
    -0.000000    9.672371    0.238559
    -0.000000    0.000000   14.125046
   Si   O    H 
    32    64    10
Direct configuration=  3249
   0.17100627  0.15965224  0.01530499
   0.37388940  0.10521684  0.38146552
   0.17240331  0.42719815  0.10951699
   0.42194257  0.34127628  0.24828604
   0.08576619  0.13997936  0.48392388
   0.40908181  0.09761550  0.86511957
   0.15344121  0.36244099  0.61406094
   0.37532790  0.39452031  0.77047554
   0.16229958  0.71859415 -0.00010305
   0.44083366  0.58681675  0.36667126
   0.13763728  0.92844902  0.15201022
   0.36179357  0.84664247  0.27412728
   0.14677914  0.55742757  0.48670434
   0.38674449  0.65163973  0.84794093
   0.10870861  0.85913624  0.58650758
   0.38757049  0.95735471  0.67987211
   0.64276926  0.11921174  0.98899531
   0.85466103  0.17040160  0.34539534
   0.61558737  0.40408113  0.08717111
   0.88500276  0.33953473  0.15419747
   0.63517082  0.18800401  0.49244148
   0.90612894  0.12141794  0.89195762
   0.62366708  0.44627307  0.63836984
   0.78905216  0.40735972  0.80997107
   0.59981833  0.67603264 -0.01769030
   0.91653688  0.57966663  0.34877114
   0.59751008  0.88280398  0.13942495
   0.86519932  0.87315804  0.24830649
   0.69666806  0.65987928  0.46205255
   0.88601654  0.67863279  0.89816307
   0.67535518  0.92062920  0.61937464
   0.89935274  0.91167711  0.74794185
   0.19562395  0.09206019  0.12318635
   0.39340670  0.17719396  0.28018422
   0.17072861  0.31786046  0.02556146
   0.39646499  0.43026438  0.34026967
   0.56051424  0.32653889  0.18478015
   0.31321507  0.40025565  0.16502780
   0.22595537  0.13499187  0.41937192
  -0.01354324  0.20892179  0.40755743
   0.05152256 -0.02157355  0.51740301
   0.43761811  0.24093567  0.80014468
   0.08963185  0.21777360  0.58852472
   0.36111422  0.48441706  0.86039532
   0.47772061  0.44418598  0.68692314
   0.23300825  0.36231305  0.71372220
   0.28441885  0.12126872 -0.05997834
   0.04132946  0.12611771  0.95091059
   0.16274533  0.59399005  0.08389153
   0.42043940  0.68916824  0.27812716
   0.18305833  0.85057075  0.05785104
   0.38823219  0.92453407  0.37766061
   0.46058620  0.92080940  0.19416696
   0.20314142  0.87026512  0.25029266
   0.33631156  0.63766759  0.45195194
   0.09067283  0.56723379  0.38101110
   0.25236007  0.42254808  0.52018160
   0.36434907  0.69520235  0.74383243
   0.14021535  0.72099166  0.53213530
   0.35043335  0.99485347  0.78672911
   0.52342447  0.87951196  0.64062764
   0.27085607  0.90284766  0.60925622
   0.28912422  0.69056480 -0.06670164
   0.01700122  0.72682437  0.95054490
   0.65469965  0.05022195  0.09805351
   0.83771769  0.21247323  0.23312778
   0.61315188  0.28742509 -0.00124814
   0.85914684  0.44613627  0.29746257
   0.04612885  0.39388742  0.17856697
   0.77714763  0.45742850  0.10323517
   0.72145947  0.22035672  0.39759896
   0.48621710  0.15779213  0.46072842
   0.69040621  0.03944090  0.54094851
   0.86383839  0.25479436  0.82802052
   0.65520154  0.32256604  0.55919055
   0.88787251  0.52569079  0.86213560
   1.03608779  0.47927376  0.58214582
   0.75866008  0.46374019  0.70621275
   0.79243500  0.06904776  0.96152938
   0.54214478  0.04511602  0.91743019
   0.54455886  0.53239564  0.03802888
   0.90964494  0.72165574  0.29111739
   0.54458123  0.81169274  0.04067919
   0.84141156  0.98897675  0.33146042
   0.97484206  0.92293870  0.17366065
   0.73422364  0.83708113  0.18919288
   0.85922509  0.62697158  0.45431483
   0.60693333  0.56786671  0.39114039
   0.62443904  0.60777957  0.58434668
   0.83890935  0.79634604  0.81620649
   0.62782063  0.81019885  0.44025603
   0.97743661  1.02742122  0.80539975
   1.00392911  0.85638439  0.67097654
   0.76545264  0.97677448  0.70743463
   0.75468900  0.69708324  0.96866589
   0.53451653  0.69692646  0.87840698
   0.75851590  0.79617191  0.58442767
   0.67063021  0.87966423  0.44211059
   0.90224815  0.23546000  0.08185229
   0.75113984  1.07052820  0.11746378
   0.39121709  0.10493459  0.64833001
   0.40987793  1.11755157  1.07422773
   0.38432894  0.86896993 -0.56283798
   0.41186820  1.04295433  0.07012092
   0.65662405  0.41447719  0.84995713
   0.53529847  0.66808015  0.58394602
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842060    0.156334   -0.020244
    -0.000000    9.669306    0.238527
    -0.000000    0.000000   14.121872
   Si   O    H 
    32    64    10
Direct configuration=  3250
   0.17137314  0.15935838  0.01533723
   0.37320179  0.10624609  0.38160006
   0.17289249  0.42795119  0.10911099
   0.42344134  0.34082438  0.24850420
   0.08443185  0.14015104  0.48505697
   0.40916097  0.09738841  0.86631864
   0.15423506  0.36147908  0.61413040
   0.37467035  0.39497385  0.77038068
   0.16068233  0.71798508  0.00017352
   0.44103217  0.58481215  0.36747791
   0.13902512  0.92802676  0.15273087
   0.36179999  0.84523684  0.27376801
   0.14739412  0.55548947  0.48694424
   0.38467465  0.65136705  0.84819931
   0.10874225  0.85876542  0.58732879
   0.38662326  0.95691911  0.68072902
   0.64202171  0.11947359  0.98979613
   0.85508355  0.16912902  0.34547232
   0.61557305  0.40302445  0.08661865
   0.88499742  0.33991637  0.15419559
   0.63630004  0.18790161  0.49202242
   0.90641759  0.12254207  0.89162440
   0.62423646  0.44515607  0.63909267
   0.78887671  0.40916525  0.81014546
   0.59903714  0.67449382 -0.01761498
   0.91748220  0.57854016  0.34860651
   0.59710349  0.88345787  0.13986130
   0.86583564  0.87225589  0.24764146
   0.69735822  0.65960248  0.46239960
   0.88603169  0.67828085  0.89756577
   0.67577722  0.91994286  0.61921968
   0.89927260  0.91300473  0.74779702
   0.19371281  0.09335614  0.12282615
   0.39386371  0.17639289  0.28152932
   0.17171774  0.31738099  0.02599068
   0.39661837  0.42991940  0.33913213
   0.55935721  0.32816710  0.18469015
   0.31238882  0.39899571  0.16458348
   0.22559878  0.13790002  0.41946069
  -0.01496070  0.20901642  0.40736097
   0.05095812 -0.02209720  0.51717145
   0.43830744  0.24140606  0.79981620
   0.08876829  0.21756884  0.58752014
   0.36140623  0.48502720  0.86241010
   0.47805387  0.44280328  0.68855383
   0.23277407  0.36283044  0.71468026
   0.28293004  0.11972779 -0.06092032
   0.04242189  0.12643911  0.95006538
   0.16270872  0.59526129  0.08317681
   0.42108663  0.69009678  0.27778254
   0.18276203  0.85121688  0.05760797
   0.38663710  0.92432537  0.37726585
   0.46134480  0.92148144  0.19402634
   0.20304987  0.86828430  0.24995710
   0.33640519  0.63365167  0.45056120
   0.09025166  0.56647902  0.38222385
   0.25192223  0.42356173  0.52092267
   0.36434206  0.69345277  0.74328020
   0.14284629  0.72055032  0.53053338
   0.34925969  0.99526086  0.78663145
   0.52571987  0.87830793  0.64056773
   0.27070470  0.90459581  0.60845451
   0.29041442  0.69150002 -0.06657263
   0.01729040  0.72706611  0.95113214
   0.65429628  0.04961484  0.09803378
   0.83759107  0.20996181  0.23420418
   0.61313186  0.28809036 -0.00181925
   0.86074909  0.44523415  0.29719260
   0.04785210  0.39261470  0.17858491
   0.77559291  0.45623470  0.10282134
   0.72038553  0.21960122  0.39776412
   0.48626541  0.15772384  0.45969083
   0.69160626  0.03908291  0.54089212
   0.86452811  0.25501029  0.82594682
   0.65736588  0.32338941  0.55959455
   0.88796105  0.52587899  0.86100606
   1.03608225  0.47954445  0.58228895
   0.75777424  0.46535340  0.70439432
   0.79088419  0.06972187  0.96160628
   0.54287037  0.04341512  0.91761558
   0.54330043  0.53609796  0.03856724
   0.90959266  0.72275074  0.29194550
   0.54518966  0.81145384  0.04089617
   0.84311919  0.98970033  0.33125889
   0.97546581  0.92367290  0.17443006
   0.73301909  0.83698919  0.18910520
   0.85934260  0.62598620  0.45429053
   0.60768635  0.56662894  0.39121325
   0.62450766  0.60832384  0.58360599
   0.83783542  0.79461683  0.81542950
   0.62656401  0.80862842  0.44209750
   0.97798732  1.02705025  0.80473127
   1.00453799  0.85603776  0.67129243
   0.76474112  0.97805330  0.70761107
   0.75425055  0.69824592  0.96961076
   0.53424620  0.69725802  0.87855792
   0.76406587  0.79439409  0.58180049
   0.69697936  0.91305784  0.45188729
   0.90045943  0.22568584  0.08379232
   0.74361489  1.06786791  0.11342338
   0.39401919  0.10439919  0.64816181
   0.41338093  1.12526038  1.07281989
   0.39556559  0.93062118 -0.56915994
   0.40874922  1.03814720  0.07471968
   0.65384673  0.41148031  0.84335598
   0.54072451  0.66896961  0.58255197
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839840    0.154912   -0.019498
    -0.000000    9.666336    0.238743
    -0.000000    0.000000   14.119167
   Si   O    H 
    32    64    10
Direct configuration=  3251
   0.17146689  0.15904583  0.01550464
   0.37226791  0.10794726  0.38151721
   0.17393790  0.42900440  0.10884932
   0.42407016  0.34065152  0.24864994
   0.08353728  0.14043233  0.48614487
   0.40898624  0.09705124  0.86725160
   0.15548963  0.36135556  0.61404011
   0.37415494  0.39507870  0.77031147
   0.16008370  0.71746602  0.00074167
   0.44072890  0.58268898  0.36842066
   0.14024377  0.92841113  0.15316012
   0.36168980  0.84440951  0.27316199
   0.14829530  0.55415257  0.48749365
   0.38292350  0.65173897  0.84838203
   0.10925236  0.85833221  0.58786253
   0.38593004  0.95679753  0.68137953
   0.64092385  0.11921875  0.99026837
   0.85493888  0.16738997  0.34541770
   0.61535701  0.40272527  0.08575512
   0.88521776  0.34012700  0.15453674
   0.63748633  0.18773536  0.49199436
   0.90644573  0.12394333  0.89097274
   0.62474816  0.44381932  0.63946595
   0.78883008  0.41058123  0.81103185
   0.59827080  0.67334103 -0.01763525
   0.91815559  0.57730603  0.34843484
   0.59686614  0.88429062  0.13969452
   0.86661812  0.87126562  0.24730846
   0.69811473  0.65971047  0.46313860
   0.88582408  0.67868547  0.89661740
   0.67686254  0.91927663  0.61939302
   0.89987112  0.91423681  0.74767985
   0.19198915  0.09468224  0.12272432
   0.39438783  0.17585381  0.28294151
   0.17322726  0.31774187  0.02665341
   0.39659290  0.42972172  0.33776931
   0.55840915  0.32930466  0.18475392
   0.31123804  0.39827232  0.16450594
   0.22484755  0.14125318  0.41994513
  -0.01561765  0.20864999  0.40711758
   0.05021388 -0.02174113  0.51692391
   0.43958178  0.24110462  0.80044423
   0.08765354  0.21654970  0.58702250
   0.36142195  0.48483636  0.86430477
   0.47892750  0.44192460  0.69009858
   0.23229590  0.36308238  0.71552393
   0.28299132  0.11878275 -0.06226820
   0.04320607  0.12607284  0.94955912
   0.16214602  0.59590445  0.08171145
   0.42138964  0.69160050  0.27804824
   0.18255903  0.85255918  0.05714924
   0.38488889  0.92463892  0.37389661
   0.46072247  0.92179935  0.19450218
   0.20359516  0.86689479  0.24970835
   0.33663876  0.63070573  0.44911155
   0.08977751  0.56567483  0.38328525
   0.25220691  0.42441452  0.52182207
   0.36342035  0.69229836  0.74221478
   0.14539333  0.72047941  0.52896546
   0.34816438  0.99515045  0.78722622
   0.52790944  0.87613561  0.64059241
   0.26981277  0.90668050  0.60808154
   0.29059060  0.69262915 -0.06565857
   0.01673658  0.72649888  0.95194434
   0.65257290  0.04848264  0.09795395
   0.83787355  0.20798808  0.23442691
   0.61283659  0.28841253 -0.00230889
   0.86272020  0.44365273  0.29701083
   0.04920040  0.39123745  0.17869232
   0.77413786  0.45498668  0.10235578
   0.71973765  0.21936207  0.39751334
   0.48569371  0.15745799  0.45891349
   0.69274354  0.04031569  0.54049088
   0.86500085  0.25575014  0.82397061
   0.65884225  0.32393794  0.55980725
   0.88847360  0.52554914  0.85973108
   1.03574644  0.47964372  0.58201585
   0.75755853  0.46608520  0.70277107
   0.78982291  0.07054050  0.96181061
   0.54327927  0.04197090  0.91818643
   0.54199624  0.53947804  0.03973530
   0.90880061  0.72408600  0.29228881
   0.54524750  0.81152955  0.04135062
   0.84389972  0.99056939  0.33089992
   0.97617554  0.92438053  0.17514288
   0.73190370  0.83591687  0.18898486
   0.85899924  0.62483687  0.45525208
   0.60832019  0.56564646  0.39027208
   0.62541375  0.60953703  0.58259031
   0.83782911  0.79265192  0.81525454
   0.62725868  0.80937454  0.44331692
   0.97856800  1.02798568  0.80445619
   1.00500712  0.85599012  0.67181864
   0.76259401  0.97905118  0.70777326
   0.75439622  0.69875318  0.97049381
   0.53414377  0.69675126  0.87815691
   0.76880270  0.79981499  0.58201671
   0.71253438  0.92949990  0.45654515
   0.89835884  0.21973156  0.08618735
   0.75172591  1.06947065  0.11567923
   0.39872347  0.10435716  0.64668383
   0.41321691  1.12021488  1.07320112
   0.41782293  0.97750869 -0.51301681
   0.40915038  1.04328979  0.07888667
   0.64647744  0.40720749  0.84011066
   0.54642281  0.66574847  0.58359728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837612    0.152768   -0.018751
    -0.000000    9.663906    0.239067
    -0.000000    0.000000   14.116373
   Si   O    H 
    32    64    10
Direct configuration=  3252
   0.17174318  0.15865558  0.01575271
   0.37124986  0.10943805  0.38151377
   0.17514986  0.43007779  0.10886653
   0.42410675  0.34019793  0.24857075
   0.08273610  0.14047720  0.48721325
   0.40785319  0.09734449  0.86785629
   0.15638492  0.36175370  0.61412761
   0.37368813  0.39483377  0.77013561
   0.15977835  0.71705035  0.00150403
   0.44058293  0.58043412  0.37015448
   0.14118258  0.92894422  0.15317545
   0.36107297  0.84419211  0.27269243
   0.14955176  0.55313812  0.48838443
   0.38142526  0.65244829  0.84867731
   0.11010809  0.85787990  0.58829650
   0.38507310  0.95677035  0.68150466
   0.63892384  0.11940841  0.99034839
   0.85481716  0.16519138  0.34520659
   0.61537840  0.40257908  0.08500428
   0.88558142  0.33951982  0.15468889
   0.63830351  0.18765518  0.49208701
   0.90693216  0.12571773  0.89001820
   0.62544519  0.44177278  0.63958616
   0.78886689  0.41232697  0.81140701
   0.59706957  0.67275398 -0.01752921
   0.91942405  0.57608607  0.34880380
   0.59608552  0.88485018  0.13943779
   0.86785894  0.86989923  0.24719674
   0.69842610  0.65979075  0.46372196
   0.88504650  0.67969943  0.89596757
   0.67828025  0.91881390  0.61924113
   0.90005366  0.91499109  0.74820648
   0.19001837  0.09571599  0.12281870
   0.39604628  0.17559335  0.28379634
   0.17525503  0.31825196  0.02705862
   0.39636479  0.42970485  0.33652754
   0.55779777  0.33063714  0.18531543
   0.31065627  0.39786030  0.16468611
   0.22415774  0.14406110  0.42082133
  -0.01542380  0.20738330  0.40674478
   0.04989021 -0.02048487  0.51658943
   0.44104003  0.24054727  0.80170152
   0.08688124  0.21499947  0.58621990
   0.36214671  0.48385887  0.86588809
   0.47959075  0.44169365  0.69165948
   0.23197547  0.36285687  0.71667180
   0.28357384  0.11811293 -0.06332158
   0.04376328  0.12637796  0.94923080
   0.16200591  0.59589887  0.08081229
   0.42129834  0.69302844  0.27862770
   0.18167949  0.85412236  0.05651698
   0.38280991  0.92528080  0.37062807
   0.45932668  0.92182646  0.19500552
   0.20429631  0.86500048  0.24945192
   0.33654393  0.62823970  0.44792675
   0.08845290  0.56466797  0.38384778
   0.25197058  0.42408486  0.52346846
   0.36230120  0.69157678  0.74060223
   0.14735492  0.72070169  0.52809515
   0.34731352  0.99522720  0.78757534
   0.53044857  0.87427961  0.64091535
   0.26802256  0.90919332  0.60800729
   0.29167253  0.69349072 -0.06400005
   0.01621661  0.72614229  0.95247644
   0.65175456  0.04643250  0.09785196
   0.83795800  0.20699058  0.23488273
   0.61281325  0.28759926 -0.00209634
   0.86452459  0.44296437  0.29689132
   0.05060155  0.38999455  0.17848146
   0.77233264  0.45314852  0.10205199
   0.71907268  0.21847905  0.39827229
   0.48413454  0.15712275  0.45795192
   0.69375793  0.04195419  0.53996686
   0.86452621  0.25693452  0.82249705
   0.65953709  0.32473820  0.55964488
   0.88972885  0.52538624  0.85820704
   1.03584822  0.48005299  0.58127776
   0.75771127  0.46617371  0.70170530
   0.78939076  0.07144323  0.96148663
   0.54337825  0.03967326  0.91852294
   0.53973833  0.54253162  0.04073106
   0.90865133  0.72505924  0.29247105
   0.54627808  0.81178295  0.04282397
   0.84500731  0.99168175  0.33048762
   0.97709884  0.92487376  0.17625825
   0.73121251  0.83484908  0.18891144
   0.85890066  0.62337976  0.45689295
   0.60846029  0.56420741  0.38957476
   0.62654474  0.60971885  0.58123175
   0.83724502  0.79115781  0.81456636
   0.62922570  0.81143082  0.44407946
   0.97921587  1.02889782  0.80459777
   1.00551356  0.85590943  0.67292861
   0.76011436  0.98192284  0.70805871
   0.75473149  0.69795478  0.97136093
   0.53484671  0.69600854  0.87768800
   0.77031875  0.80899017  0.58422711
   0.72068080  0.92700026  0.46007472
   0.89547689  0.21993984  0.08735974
   0.75786248  1.06673105  0.11775178
   0.40292957  0.10176147  0.64521202
   0.41217893  1.11451068  1.07093253
   0.43890977  1.01623847 -0.46264208
   0.40967930  1.05204836  0.08240461
   0.64084905  0.40325411  0.83736842
   0.54220215  0.66678437  0.58689444
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835549    0.150499   -0.018299
    -0.000000    9.661690    0.239766
    -0.000000    0.000000   14.113737
   Si   O    H 
    32    64    10
Direct configuration=  3253
   0.17177363  0.15812295  0.01583016
   0.37007293  0.11032446  0.38191042
   0.17570813  0.43106776  0.10838238
   0.42357470  0.33956787  0.24816307
   0.08238703  0.13989804  0.48784390
   0.40702780  0.09826078  0.86795826
   0.15612041  0.36268741  0.61394000
   0.37364696  0.39420166  0.77002244
   0.15980338  0.71624826  0.00226018
   0.44024185  0.57890791  0.37171524
   0.14214897  0.92900273  0.15307135
   0.36131756  0.84355566  0.27297732
   0.15037084  0.55256549  0.48944042
   0.37987040  0.65314737  0.84879364
   0.11121826  0.85717378  0.58839519
   0.38446173  0.95626699  0.68168592
   0.63719682  0.11964114  0.99030214
   0.85453698  0.16322032  0.34508901
   0.61521439  0.40322516  0.08410298
   0.88584400  0.33869816  0.15487641
   0.63879954  0.18821202  0.49213880
   0.90758467  0.12774988  0.88869661
   0.62578976  0.43940092  0.63958015
   0.78884489  0.41416802  0.81194550
   0.59641398  0.67300504 -0.01736632
   0.92126180  0.57529233  0.34893636
   0.59475978  0.88554074  0.13940792
   0.86841441  0.86885848  0.24671006
   0.69854200  0.65957078  0.46474181
   0.88424621  0.68080288  0.89554292
   0.67935989  0.91868731  0.61893871
   0.90009057  0.91524966  0.74854095
   0.18851708  0.09565495  0.12329449
   0.39828942  0.17580675  0.28380293
   0.17674278  0.31970192  0.02717519
   0.39765228  0.43002272  0.33496685
   0.55774577  0.33252908  0.18558968
   0.31072025  0.39715850  0.16511458
   0.22391171  0.14622010  0.42259466
  -0.01550127  0.20616021  0.40673273
   0.04908877 -0.01832885  0.51652395
   0.44235944  0.23877693  0.80369562
   0.08613448  0.21424553  0.58536160
   0.36229322  0.48230663  0.86728697
   0.48019466  0.44138906  0.69270037
   0.23285258  0.36233255  0.71776201
   0.28550075  0.11714642 -0.06428636
   0.04435783  0.12728490  0.94955514
   0.16203158  0.59474557  0.08007265
   0.42112023  0.69359954  0.27882472
   0.18122231  0.85593984  0.05601984
   0.38140230  0.92737609  0.36708444
   0.45862157  0.92302219  0.19558417
   0.20495099  0.86319675  0.24909499
   0.33684301  0.62671371  0.44646463
   0.08719619  0.56350549  0.38431445
   0.25172835  0.42320914  0.52518774
   0.36202164  0.69066392  0.73885402
   0.14872547  0.72055753  0.52786187
   0.34631544  0.99522579  0.78764175
   0.53203459  0.87213276  0.64153537
   0.26597412  0.91138184  0.60837477
   0.29283492  0.69482648 -0.06300054
   0.01551413  0.72569044  0.95241461
   0.65148538  0.04455811  0.09828255
   0.83837726  0.20615825  0.23471653
   0.61273903  0.28650153 -0.00146507
   0.86514039  0.44255610  0.29683352
   0.05119707  0.38967302  0.17743743
   0.77002555  0.45252142  0.10130175
   0.71904234  0.21766221  0.39867669
   0.48244126  0.15645810  0.45705152
   0.69449739  0.04345442  0.53985164
   0.86384473  0.25788404  0.82213021
   0.65891463  0.32594682  0.55897952
   0.89090228  0.52602119  0.85686075
   1.03608500  0.48102833  0.58079962
   0.75744708  0.46600316  0.70062996
   0.78846919  0.07271195  0.96046557
   0.54364543  0.03704393  0.91932321
   0.53748065  0.54417665  0.04210220
   0.90821083  0.72551136  0.29290381
   0.54734091  0.81138642  0.04490683
   0.84694063  0.99258796  0.33041948
   0.97843856  0.92509769  0.17662315
   0.73084579  0.83290228  0.18864669
   0.85795032  0.62202953  0.45783342
   0.60746530  0.56375493  0.38876173
   0.62848654  0.60922656  0.57964725
   0.83700656  0.78962690  0.81379515
   0.63210922  0.81495067  0.44481111
   0.97891482  1.03068234  0.80501172
   1.00543401  0.85576408  0.67442318
   0.75715940  0.98518532  0.70771912
   0.75587929  0.69771718  0.97158994
   0.53594559  0.69534841  0.87716079
   0.77201300  0.81693172  0.58710243
   0.71857306  0.91273147  0.46454582
   0.89432104  0.22378557  0.08629170
   0.75255529  1.06539588  0.11876679
   0.40384102  0.10060353  0.64287071
   0.41092898  1.11903687  1.06748843
   0.45610573  1.05732972 -0.41761774
   0.40788940  1.05135821  0.08985912
   0.64067902  0.40041744  0.83730983
   0.53768904  0.66787294  0.59102413
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833241    0.147819   -0.017486
    -0.000000    9.659409    0.240812
    -0.000000    0.000000   14.110764
   Si   O    H 
    32    64    10
Direct configuration=  3254
   0.17164384  0.15828625  0.01570772
   0.36839789  0.11012074  0.38280092
   0.17573435  0.43260606  0.10752450
   0.42263189  0.33927953  0.24778737
   0.08262796  0.13894710  0.48814243
   0.40571435  0.09854452  0.86741941
   0.15563358  0.36381473  0.61401616
   0.37376984  0.39321366  0.77016092
   0.16040161  0.71521757  0.00296044
   0.44013185  0.57754618  0.37306230
   0.14277491  0.92915436  0.15289444
   0.36190640  0.84282618  0.27328909
   0.15071435  0.55253092  0.49014205
   0.37855396  0.65350195  0.84867161
   0.11286248  0.85638458  0.58840071
   0.38329170  0.95561321  0.68153404
   0.63559314  0.12005374  0.99013262
   0.85449695  0.16118659  0.34495090
   0.61463380  0.40374817  0.08372730
   0.88581519  0.33748494  0.15540534
   0.63849723  0.18855891  0.49279961
   0.90839336  0.12983394  0.88694741
   0.62630202  0.43756609  0.63963015
   0.78867403  0.41596357  0.81228859
   0.59584915  0.67335078 -0.01712371
   0.92354345  0.57408662  0.34894648
   0.59433310  0.88615949  0.13951502
   0.86869112  0.86788050  0.24652278
   0.69816324  0.65954341  0.46573550
   0.88328856  0.68210271  0.89525288
   0.68033696  0.91872992  0.61851330
   0.89991096  0.91462463  0.74894159
   0.18715862  0.09448402  0.12302028
   0.40039334  0.17649626  0.28288637
   0.17805644  0.32205189  0.02694263
   0.39873281  0.42952372  0.33382363
   0.55790276  0.33472249  0.18615087
   0.31200420  0.39645232  0.16556298
   0.22353318  0.14864628  0.42426455
  -0.01594741  0.20562181  0.40716350
   0.04824008 -0.01622046  0.51648444
   0.44365572  0.23638231  0.80535478
   0.08579787  0.21315366  0.58556230
   0.36210363  0.48072352  0.86842217
   0.48142508  0.44041533  0.69314826
   0.23346477  0.36161166  0.71903464
   0.28695905  0.11624659 -0.06483578
   0.04401731  0.12862474  0.95022193
   0.16238166  0.59292276  0.08015744
   0.42199333  0.69395212  0.27946449
   0.18092571  0.85710483  0.05587842
   0.37949125  0.93021438  0.36422000
   0.45860243  0.92436450  0.19623347
   0.20561469  0.86175523  0.24892578
   0.33750556  0.62546019  0.44526655
   0.08508724  0.56263922  0.38367389
   0.25284069  0.42178844  0.52648134
   0.36197292  0.69006230  0.73739922
   0.14963945  0.71998140  0.52771356
   0.34561222  0.99492101  0.78739180
   0.53235778  0.86954307  0.64223868
   0.26419903  0.91365216  0.60918180
   0.29360767  0.69646086 -0.06224595
   0.01353759  0.72545840  0.95235496
   0.65185072  0.04322401  0.09898415
   0.83819797  0.20549246  0.23398503
   0.61252180  0.28486041 -0.00049837
   0.86687742  0.44260499  0.29719864
   0.05106118  0.38972012  0.17609289
   0.76840996  0.45177372  0.10072842
   0.71924828  0.21648446  0.39869419
   0.48100771  0.15603614  0.45617651
   0.69461788  0.04489622  0.53925066
   0.86318582  0.25927043  0.82233081
   0.65823007  0.32656214  0.55857076
   0.89103298  0.52679524  0.85531776
   1.03551892  0.48129689  0.58044652
   0.75827975  0.46536993  0.69965903
   0.78734776  0.07384157  0.95873513
   0.54354649  0.03477801  0.91983915
   0.53583926  0.54467518  0.04419182
   0.90889188  0.72536552  0.29359491
   0.54758282  0.81170920  0.04660982
   0.84901494  0.99357160  0.33026774
   0.98018324  0.92550045  0.17677789
   0.73114779  0.83079222  0.18857153
   0.85691812  0.62067916  0.45858519
   0.60603178  0.56404356  0.38820028
   0.62999470  0.60860343  0.57776938
   0.83641502  0.78847026  0.81307567
   0.63592830  0.81813835  0.44569803
   0.97868552  1.03264521  0.80557462
   1.00532698  0.85545336  0.67575442
   0.75532639  0.98767674  0.70732491
   0.75705338  0.69686809  0.97151763
   0.53690439  0.69542790  0.87686729
   0.78216447  0.82191184  0.58758252
   0.70658914  0.88585186  0.46308412
   0.89258124  0.23034845  0.08341276
   0.74307713  1.06042695  0.11946454
   0.40853775  0.10252536  0.63616378
   0.41101477  1.12474312  1.06163322
   0.46866650  1.10458027 -0.37735497
   0.40947606  1.04785158  0.09840778
   0.64460410  0.39568663  0.84040481
   0.54379837  0.66338037  0.59131933
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831387    0.144968   -0.016647
    -0.000000    9.657340    0.241661
    -0.000000    0.000000   14.108185
   Si   O    H 
    32    64    10
Direct configuration=  3255
   0.17184806  0.15838632  0.01522168
   0.36679468  0.10923331  0.38313691
   0.17500067  0.43338947  0.10741768
   0.42178796  0.33861280  0.24708908
   0.08322068  0.13728166  0.48803986
   0.40439728  0.09940008  0.86661580
   0.15532178  0.36486733  0.61416537
   0.37367107  0.39237719  0.77043857
   0.16050372  0.71405774  0.00359401
   0.44008133  0.57699823  0.37444989
   0.14282240  0.92983900  0.15263282
   0.36215310  0.84248404  0.27386547
   0.15131783  0.55282954  0.49149900
   0.37721449  0.65439025  0.84815476
   0.11390038  0.85541695  0.58841463
   0.38228495  0.95429749  0.68152178
   0.63431677  0.12006975  0.98981995
   0.85425019  0.15917754  0.34472785
   0.61456491  0.40393739  0.08342925
   0.88648356  0.33647020  0.15583032
   0.63735410  0.18867616  0.49326570
   0.90915822  0.13123009  0.88491283
   0.62730947  0.43628829  0.63990681
   0.78914286  0.41697814  0.81267699
   0.59576086  0.67406616 -0.01689708
   0.92560755  0.57319213  0.34885878
   0.59370098  0.88699482  0.13929892
   0.86840637  0.86690080  0.24618175
   0.69751143  0.65953192  0.46672474
   0.88221375  0.68303974  0.89508271
   0.68130276  0.91917489  0.61822726
   0.89911961  0.91455388  0.74921077
   0.18582526  0.09212558  0.12240791
   0.40239437  0.17772974  0.28216390
   0.17970428  0.32450992  0.02665465
   0.40013660  0.42970435  0.33277285
   0.55828082  0.33690978  0.18646996
   0.31292724  0.39535552  0.16647564
   0.22404583  0.15118479  0.42604539
  -0.01584896  0.20500552  0.40753251
   0.04686935 -0.01422554  0.51678941
   0.44449981  0.23355071  0.80717180
   0.08512645  0.21160566  0.58655102
   0.36181522  0.47922688  0.86938742
   0.48316418  0.44080629  0.69397607
   0.23394923  0.36084632  0.71982621
   0.28714376  0.11475701 -0.06447156
   0.04309782  0.12979206  0.95112755
   0.16258463  0.59084541  0.07990866
   0.42343801  0.69382937  0.27983320
   0.18072366  0.85751305  0.05589413
   0.37718701  0.93417893  0.36223074
   0.45945802  0.92461005  0.19661306
   0.20648701  0.86013585  0.24870344
   0.33768828  0.62377363  0.44476408
   0.08330049  0.56214452  0.38325652
   0.25391375  0.42082618  0.52765760
   0.36193457  0.68964324  0.73637121
   0.14992750  0.71930281  0.52749073
   0.34487693  0.99459530  0.78727698
   0.53278956  0.86803017  0.64271760
   0.26292954  0.91642066  0.61009933
   0.29346109  0.69790424 -0.06195174
   0.01231962  0.72492157  0.95250306
   0.65184756  0.04190987  0.09929345
   0.83832119  0.20542161  0.23319867
   0.61219739  0.28318298  0.00060814
   0.86894784  0.44318974  0.29773763
   0.05115769  0.38885773  0.17464557
   0.76687578  0.45097935  0.10050037
   0.71946349  0.21555848  0.39905088
   0.48003635  0.15552377  0.45544110
   0.69477758  0.04627003  0.53875813
   0.86243690  0.26049245  0.82227344
   0.65705439  0.32722561  0.55844412
   0.89164825  0.52752297  0.85404104
   1.03503773  0.48186225  0.58042864
   0.75929667  0.46405163  0.69911073
   0.78735516  0.07498387  0.95681257
   0.54336099  0.03315711  0.92024159
   0.53378852  0.54440920  0.04600955
   0.90937003  0.72522535  0.29372387
   0.54774010  0.81245116  0.04834957
   0.85059958  0.99333758  0.32987574
   0.98201797  0.92604331  0.17635625
   0.73141416  0.82901428  0.18861723
   0.85521226  0.61899756  0.45951800
   0.60472734  0.56396835  0.38755038
   0.63092711  0.60844461  0.57622584
   0.83666032  0.78808219  0.81254564
   0.63960564  0.82062729  0.44650778
   0.97857666  1.03363374  0.80589891
   1.00527419  0.85529282  0.67648229
   0.75424378  0.98985681  0.70685023
   0.75843044  0.69560709  0.97113984
   0.53762255  0.69629902  0.87651922
   0.79093185  0.82026418  0.58707562
   0.69220811  0.85936514  0.45733088
   0.89485944  0.23712296  0.07865779
   0.74298368  1.05613551  0.12226351
   0.38924876  0.10603585  0.63327982
   0.41213891  1.11801733  1.05995104
   0.49813625  1.15003004 -0.34459526
   0.41169961  1.05469598  0.10112841
   0.64918174  0.39400899  0.84488194
   0.55257159  0.65885951  0.58879894
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829707    0.141704   -0.016340
    -0.000000    9.655661    0.242062
    -0.000000    0.000000   14.105693
   Si   O    H 
    32    64    10
Direct configuration=  3256
   0.17226163  0.15800163  0.01473073
   0.36549626  0.10823450  0.38317845
   0.17428787  0.43381518  0.10768841
   0.42023249  0.33803890  0.24632945
   0.08398944  0.13618545  0.48792004
   0.40294136  0.09985866  0.86568906
   0.15442931  0.36565514  0.61425116
   0.37430770  0.39149330  0.77124767
   0.16025708  0.71319786  0.00367947
   0.44096840  0.57693363  0.37561910
   0.14259196  0.93096507  0.15235316
   0.36223176  0.84244240  0.27462630
   0.15144870  0.55343557  0.49222000
   0.37591309  0.65466690  0.84732648
   0.11506899  0.85471876  0.58845839
   0.38122563  0.95281779  0.68179377
   0.63269439  0.12003849  0.98910860
   0.85339774  0.15733501  0.34452832
   0.61393187  0.40446151  0.08359427
   0.88652924  0.33556440  0.15581100
   0.63650330  0.18807685  0.49371979
   0.90979888  0.13300190  0.88300507
   0.62756679  0.43616792  0.64026119
   0.78926000  0.41733078  0.81284211
   0.59612097  0.67561481 -0.01686116
   0.92771784  0.57310183  0.34874693
   0.59373358  0.88809935  0.13903886
   0.86819574  0.86611990  0.24604737
   0.69680760  0.65933942  0.46767382
   0.88103420  0.68368648  0.89515394
   0.68262153  0.92007502  0.61846123
   0.89812392  0.91514000  0.74960943
   0.18434862  0.08924383  0.12206479
   0.40353411  0.17869468  0.28110218
   0.18162600  0.32599876  0.02627078
   0.40257295  0.43060714  0.33164008
   0.55863180  0.33810964  0.18620566
   0.31379875  0.39389377  0.16793221
   0.22428841  0.15370339  0.42765534
  -0.01579201  0.20389606  0.40776993
   0.04549607 -0.01399318  0.51793353
   0.44520402  0.23201305  0.80893604
   0.08510743  0.21101141  0.58782543
   0.36168352  0.47846421  0.86952772
   0.48514843  0.44141061  0.69472643
   0.23387050  0.36105342  0.72000394
   0.28571691  0.11349926 -0.06330702
   0.04109367  0.13032995  0.95225490
   0.16304039  0.58948844  0.07949215
   0.42560769  0.69333654  0.28018107
   0.18099780  0.85831464  0.05557662
   0.37421999  0.93843740  0.36155989
   0.46061841  0.92543532  0.19690923
   0.20647567  0.85838284  0.24818883
   0.33703847  0.62287902  0.44476132
   0.08103385  0.56161637  0.38271498
   0.25604770  0.42013094  0.52901281
   0.36178201  0.68963404  0.73509604
   0.14926356  0.71890065  0.52756083
   0.34444163  0.99401710  0.78781164
   0.53262058  0.86714686  0.64356909
   0.26207054  0.91917098  0.61092982
   0.29275762  0.69911075 -0.06150242
   0.01116708  0.72496327  0.95314807
   0.65118767  0.04096760  0.09956032
   0.83940819  0.20483857  0.23200901
   0.61146331  0.28230916  0.00170543
   0.87023800  0.44366074  0.29816386
   0.05052042  0.38719884  0.17368903
   0.76655259  0.44953982  0.10059239
   0.71945675  0.21517088  0.39954562
   0.47938948  0.15521451  0.45539391
   0.69514702  0.04669196  0.53910964
   0.86235691  0.26167986  0.82254617
   0.65590047  0.32714399  0.55818453
   0.89196599  0.52852548  0.85313787
   1.03487691  0.48222809  0.58092958
   0.76028343  0.46233554  0.69862689
   0.78796694  0.07636692  0.95540127
   0.54303280  0.03173680  0.92093673
   0.53190378  0.54451626  0.04769824
   0.90945462  0.72430601  0.29368101
   0.54704638  0.81241688  0.04980767
   0.85214686  0.99291939  0.32927336
   0.98478473  0.92678738  0.17570519
   0.73106721  0.82759578  0.18842156
   0.85362748  0.61742962  0.46003228
   0.60404876  0.56336338  0.38765557
   0.63219855  0.60835478  0.57497669
   0.83678518  0.78815843  0.81168351
   0.63836515  0.81837238  0.44580576
   0.97814532  1.03528205  0.80650655
   1.00584545  0.85514783  0.67745327
   0.75457190  0.99150431  0.70630979
   0.76011598  0.69464655  0.97079121
   0.53838033  0.69716269  0.87677221
   0.79370988  0.81621253  0.58432028
   0.76523936  0.90848475  0.46713828
   0.89632579  0.24380274  0.07358771
   0.74763728  1.05639713  0.12625673
   0.38462139  0.11409398  0.63476170
   0.41461510  1.11013584  1.06441898
   0.51236827  1.18937007 -0.31921033
   0.40962336  1.06725555  0.09837954
   0.65509634  0.39456694  0.84854495
   0.55067606  0.66638356  0.58859190
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828378    0.138862   -0.015804
    -0.000000    9.654591    0.242429
    -0.000000    0.000000   14.103083
   Si   O    H 
    32    64    10
Direct configuration=  3257
   0.17284564  0.15836917  0.01385576
   0.36423427  0.10753609  0.38316937
   0.17425772  0.43299058  0.10810014
   0.41906855  0.33775961  0.24547740
   0.08440581  0.13503710  0.48763266
   0.40154731  0.09991413  0.86459803
   0.15324222  0.36607114  0.61395928
   0.37510225  0.39010212  0.77211185
   0.16004695  0.71256344  0.00354663
   0.44191097  0.57747538  0.37638331
   0.14241681  0.93194798  0.15220387
   0.36241806  0.84245613  0.27531587
   0.15145683  0.55402637  0.49303147
   0.37457572  0.65501355  0.84699263
   0.11591926  0.85455499  0.58811559
   0.38015293  0.95241288  0.68186710
   0.63137397  0.11999905  0.98822410
   0.85257941  0.15638470  0.34423153
   0.61299293  0.40512429  0.08346586
   0.88637235  0.33566586  0.15621818
   0.63559874  0.18804738  0.49367048
   0.91060002  0.13455379  0.88135477
   0.62757694  0.43666995  0.64054468
   0.78895749  0.41752761  0.81265237
   0.59672640  0.67745314 -0.01718023
   0.92950248  0.57328437  0.34863350
   0.59384439  0.88919572  0.13895660
   0.86811827  0.86544522  0.24614828
   0.69629442  0.65900795  0.46789182
   0.88012987  0.68454189  0.89546557
   0.68412243  0.92079180  0.61870066
   0.89704827  0.91540096  0.74995580
   0.18290880  0.08676401  0.12185954
   0.40386151  0.17885769  0.28023622
   0.18379623  0.32739735  0.02521540
   0.40435447  0.43154523  0.33112740
   0.55920505  0.33873658  0.18573916
   0.31458789  0.39179861  0.16973699
   0.22408855  0.15558334  0.42889054
  -0.01559017  0.20340783  0.40846231
   0.04395895 -0.01446096  0.51888900
   0.44575473  0.23146904  0.81019983
   0.08540877  0.21195104  0.58941472
   0.36179597  0.47743729  0.86913548
   0.48664277  0.44197431  0.69523432
   0.23390556  0.36086922  0.71980885
   0.28428167  0.11265481 -0.06192117
   0.03888446  0.13159639  0.95349544
   0.16365477  0.58825260  0.07949595
   0.42776567  0.69243444  0.28063399
   0.18103746  0.85922074  0.05528026
   0.37052155  0.94293126  0.36139879
   0.46245470  0.92577708  0.19734171
   0.20564359  0.85676309  0.24828839
   0.33605498  0.62301289  0.44494609
   0.07882916  0.56150460  0.38282602
   0.25907958  0.41924651  0.53045445
   0.36143466  0.68859702  0.73389751
   0.14783846  0.71819043  0.52801054
   0.34427940  0.99385253  0.78836267
   0.53257528  0.86702323  0.64434916
   0.26067603  0.92178209  0.61160293
   0.29193452  0.70105632 -0.06123338
   0.01073319  0.72500509  0.95379077
   0.65144931  0.04077137  0.09941711
   0.84127849  0.20395982  0.23089942
   0.61045113  0.28119187  0.00298163
   0.87104076  0.44472284  0.29866739
   0.04893996  0.38552595  0.17302357
   0.76679271  0.44767973  0.10072621
   0.71924048  0.21469825  0.39970670
   0.47989643  0.15409164  0.45552530
   0.69610279  0.04742866  0.53961894
   0.86239258  0.26363392  0.82307157
   0.65516721  0.32721070  0.55841410
   0.89201757  0.53008527  0.85168512
   1.03541504  0.48282476  0.58181313
   0.76190990  0.46094756  0.69891571
   0.78895939  0.07804517  0.95442288
   0.54189279  0.03059706  0.92106430
   0.53117004  0.54487517  0.04917439
   0.90986023  0.72268785  0.29400279
   0.54628846  0.81226677  0.05050982
   0.85370384  0.99115456  0.32896669
   0.98667190  0.92731745  0.17523667
   0.73046957  0.82708656  0.18805086
   0.85194839  0.61634103  0.45993171
   0.60324742  0.56347743  0.38798290
   0.63293076  0.60798428  0.57453589
   0.83695095  0.78783210  0.81046470
   0.63800659  0.81693540  0.44491622
   0.97832643  1.03631355  0.80667388
   1.00666063  0.85516965  0.67726234
   0.75476815  0.99302854  0.70574602
   0.76105730  0.69437383  0.97088210
   0.53825331  0.69788907  0.87711296
   0.79487444  0.80916609  0.58458683
   0.81485914  0.94930737  0.47308010
   0.89907084  0.24797819  0.06856304
   0.74603254  1.06247921  0.12663694
   0.38664761  0.11617246  0.63815767
   0.41851437  1.11127238  1.06385885
   0.51972816  1.22487017 -0.29631522
   0.40670940  1.07277863  0.10063176
   0.65767169  0.39851499  0.85274951
   0.54974459  0.67758144  0.58824715
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826830    0.135273   -0.015648
    -0.000000    9.654187    0.242779
    -0.000000    0.000000   14.101059
   Si   O    H 
    32    64    10
Direct configuration=  3258
   0.17350544  0.15895230  0.01314649
   0.36341482  0.10688247  0.38358657
   0.17443645  0.43145287  0.10867127
   0.41880836  0.33752406  0.24465372
   0.08462212  0.13511373  0.48738314
   0.40087409  0.09904773  0.86368734
   0.15208221  0.36621894  0.61387622
   0.37585891  0.38948808  0.77346580
   0.15959229  0.71163398  0.00294885
   0.44324153  0.57784185  0.37695680
   0.14212011  0.93198348  0.15208275
   0.36278173  0.84333812  0.27573223
   0.15175049  0.55457660  0.49385905
   0.37359548  0.65565658  0.84644189
   0.11651795  0.85378270  0.58801573
   0.37966876  0.95241646  0.68135867
   0.63112463  0.11943115  0.98743208
   0.85177668  0.15560297  0.34379040
   0.61290039  0.40560436  0.08360438
   0.88606773  0.33586487  0.15710664
   0.63365018  0.18896747  0.49321601
   0.91164982  0.13554977  0.88014950
   0.62769178  0.43755096  0.64036982
   0.78893895  0.41774495  0.81274053
   0.59775212  0.67963869 -0.01734191
   0.93025224  0.57374218  0.34875703
   0.59395391  0.89021041  0.13878286
   0.86832107  0.86534099  0.24638646
   0.69637298  0.65875719  0.46743383
   0.87962793  0.68504038  0.89556109
   0.68520633  0.92128530  0.61877818
   0.89596752  0.91555817  0.75042643
   0.18166359  0.08535584  0.12147905
   0.40407668  0.17851483  0.27977721
   0.18520725  0.32860088  0.02422266
   0.40543000  0.43231760  0.33186163
   0.56044752  0.33971739  0.18523633
   0.31467103  0.38999441  0.17098484
   0.22412168  0.15733789  0.43035675
  -0.01551015  0.20221992  0.40855580
   0.04290226 -0.01562250  0.51928185
   0.44597423  0.23164533  0.81086328
   0.08562606  0.21358062  0.59080968
   0.36149303  0.47688899  0.86882933
   0.48870539  0.44293444  0.69561934
   0.23334905  0.36021835  0.71891577
   0.28249518  0.11217316 -0.06084270
   0.03720470  0.13204143  0.95543679
   0.16434466  0.58698814  0.07938600
   0.42993679  0.69142826  0.28085688
   0.18096749  0.86063799  0.05502620
   0.36769950  0.94729967  0.36178939
   0.46331377  0.92622987  0.19776649
   0.20481903  0.85599243  0.24775191
   0.33469561  0.62309902  0.44522506
   0.07743932  0.56200815  0.38368121
   0.26174595  0.41861152  0.53215429
   0.36032609  0.68725516  0.73265619
   0.14625997  0.71844500  0.52824369
   0.34420258  0.99304910  0.78864030
   0.53218421  0.86739550  0.64506416
   0.25935599  0.92346806  0.61265522
   0.29136292  0.70309570 -0.06148503
   0.01053088  0.72567672  0.95439558
   0.65200038  0.04195525  0.09937651
   0.84413195  0.20304264  0.22959553
   0.60968086  0.28054469  0.00425995
   0.87136103  0.44544271  0.29891510
   0.04689375  0.38338535  0.17255889
   0.76783351  0.44660668  0.10124116
   0.71918788  0.21393246  0.39924676
   0.48068086  0.15325278  0.45622891
   0.69668738  0.04803572  0.54005864
   0.86206617  0.26570886  0.82330859
   0.65416503  0.32650012  0.55903055
   0.89273779  0.53085138  0.85027509
   1.03707109  0.48300104  0.58253465
   0.76364252  0.45961938  0.69884325
   0.78878423  0.07993887  0.95376753
   0.54070917  0.03055930  0.92094680
   0.53076578  0.54544193  0.05046896
   0.91033627  0.72146651  0.29400740
   0.54617687  0.81100437  0.05138495
   0.85512734  0.98909123  0.32922764
   0.98861904  0.92761661  0.17469761
   0.72987455  0.82688297  0.18820663
   0.85012662  0.61483145  0.45943876
   0.60323420  0.56545728  0.38857884
   0.63319043  0.60713438  0.57429354
   0.83715251  0.78731707  0.80903463
   0.63891917  0.81548595  0.44412719
   0.97806566  1.03693334  0.80656313
   1.00829726  0.85537069  0.67626286
   0.75474807  0.99418024  0.70545950
   0.76151936  0.69447440  0.97145937
   0.53775815  0.69784801  0.87757904
   0.79291900  0.80691112  0.58794764
   0.85624055  0.98807882  0.47973695
   0.90276938  0.25389134  0.06814927
   0.73554174  1.06878044  0.12591250
   0.39417244  0.11072316  0.64329043
   0.42464126  1.11950315  1.05678425
   0.52465547  1.25907461 -0.27244425
   0.40232454  1.07015968  0.10574740
   0.65651054  0.40570826  0.85953710
   0.55677794  0.68160400  0.58614237
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825369    0.132111   -0.015793
    -0.000000    9.653606    0.243003
    -0.000000    0.000000   14.098673
   Si   O    H 
    32    64    10
Direct configuration=  3259
   0.17384057  0.15957772  0.01250974
   0.36273666  0.10660350  0.38350112
   0.17500741  0.42992249  0.10914590
   0.41786615  0.33754844  0.24413589
   0.08544925  0.13545742  0.48751481
   0.40036487  0.09724105  0.86297857
   0.15110207  0.36620098  0.61377811
   0.37648652  0.38911998  0.77487605
   0.15960280  0.71123411  0.00280025
   0.44476022  0.57856969  0.37661982
   0.14173898  0.93129936  0.15204513
   0.36361865  0.84427800  0.27618726
   0.15215139  0.55523208  0.49508231
   0.37319951  0.65580007  0.84549446
   0.11706899  0.85328296  0.58786651
   0.37933983  0.95271288  0.68125464
   0.63108381  0.11870198  0.98628786
   0.85113148  0.15516215  0.34326066
   0.61326754  0.40546850  0.08384062
   0.88569257  0.33593987  0.15805097
   0.63199168  0.19023825  0.49260068
   0.91232876  0.13579896  0.87947380
   0.62788112  0.43900458  0.63965201
   0.78886679  0.41707323  0.81301115
   0.59790637  0.68101151 -0.01775435
   0.92990475  0.57478958  0.34901226
   0.59365303  0.89079649  0.13880087
   0.86913739  0.86573276  0.24672068
   0.69623654  0.65878197  0.46624656
   0.87957489  0.68573338  0.89544163
   0.68599962  0.92139067  0.61867941
   0.89546186  0.91612044  0.75121944
   0.17980053  0.08535716  0.12124542
   0.40350877  0.17816593  0.28002765
   0.18618182  0.32903883  0.02268795
   0.40654947  0.43268302  0.33255514
   0.56190159  0.34068591  0.18546061
   0.31375886  0.38945659  0.17164388
   0.22419448  0.15833284  0.43168968
  -0.01548917  0.20077521  0.40845633
   0.04136747 -0.01774822  0.52010885
   0.44626703  0.23259745  0.81187137
   0.08616633  0.21460709  0.59169959
   0.36118211  0.47639861  0.86791260
   0.48967528  0.44470632  0.69600696
   0.23263675  0.35986862  0.71741330
   0.28111094  0.11285376 -0.06033234
   0.03541064  0.13185439  0.95713482
   0.16530575  0.58645936  0.07927817
   0.43163672  0.69080720  0.28124889
   0.18024678  0.86179494  0.05490467
   0.36598934  0.95120074  0.36245271
   0.46376252  0.92699863  0.19817315
   0.20296405  0.85484200  0.24724000
   0.33275707  0.62355948  0.44524581
   0.07686898  0.56240334  0.38449659
   0.26401760  0.41830891  0.53327845
   0.36003746  0.68692439  0.73175918
   0.14460222  0.71804070  0.52874954
   0.34520826  0.99206637  0.78878191
   0.53158197  0.86800448  0.64557497
   0.25884841  0.92522484  0.61336730
   0.29067583  0.70481087 -0.06126160
   0.01021208  0.72658284  0.95455890
   0.65187903  0.04435326  0.09840631
   0.84635243  0.20275688  0.22815379
   0.60869952  0.28060339  0.00548700
   0.87210579  0.44585543  0.29926460
   0.04498794  0.38129965  0.17183681
   0.76901132  0.44573304  0.10196020
   0.71971499  0.21437862  0.39879022
   0.48063760  0.15264647  0.45707619
   0.69695416  0.04837238  0.54078058
   0.86179292  0.26829405  0.82314494
   0.65335835  0.32561276  0.55973569
   0.89305408  0.53208430  0.84936827
   1.03779880  0.48322728  0.58327126
   0.76605208  0.45782244  0.69910337
   0.78886763  0.08230791  0.95283425
   0.53858210  0.03077327  0.92102250
   0.53083735  0.54647666  0.05146004
   0.91125580  0.72017528  0.29366905
   0.54655972  0.80927801  0.05186392
   0.85615699  0.98665428  0.32950292
   0.98970908  0.92719566  0.17436844
   0.72955263  0.82659453  0.18826258
   0.84860841  0.61360611  0.45847126
   0.60320470  0.56723179  0.39005551
   0.63335004  0.60661471  0.57439642
   0.83774380  0.78756950  0.80762026
   0.63950169  0.81380099  0.44373771
   0.97813620  1.03710454  0.80624891
   1.00969601  0.85543685  0.67512114
   0.75540381  0.99541779  0.70617118
   0.76217106  0.69495960  0.97216293
   0.53777220  0.69766738  0.87828268
   0.78868533  0.81013007  0.59143566
   0.89314641  1.01734420  0.48371456
   0.90468322  0.25702331  0.06952807
   0.73464892  1.08030466  0.12895688
   0.40536852  0.10263459  0.64948839
   0.42927858  1.12584598  1.05718657
   0.53311065  1.28624329 -0.25062082
   0.39956438  1.07525992  0.10619030
   0.65556624  0.41193761  0.86427283
   0.56809422  0.67851263  0.58429202
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824059    0.128983   -0.016033
    -0.000000    9.653619    0.242772
    -0.000000    0.000000   14.096498
   Si   O    H 
    32    64    10
Direct configuration=  3260
   0.17428725  0.16004935  0.01205218
   0.36233533  0.10692336  0.38321384
   0.17600624  0.42816424  0.10963310
   0.41692519  0.33788254  0.24408580
   0.08628592  0.13540896  0.48770575
   0.39983833  0.09460077  0.86260111
   0.15067703  0.36581144  0.61375610
   0.37640594  0.38912372  0.77609405
   0.15925288  0.71094698  0.00280153
   0.44659629  0.57975095  0.37653634
   0.14128506  0.93025310  0.15252318
   0.36411032  0.84601861  0.27689035
   0.15247327  0.55561339  0.49629036
   0.37320534  0.65574207  0.84451134
   0.11736773  0.85262006  0.58775353
   0.37939274  0.95246333  0.68115710
   0.63118146  0.11861160  0.98518221
   0.85115253  0.15441980  0.34238769
   0.61378015  0.40575617  0.08412540
   0.88520378  0.33649598  0.15882962
   0.63014087  0.19118281  0.49178289
   0.91278791  0.13581457  0.87892363
   0.62791755  0.44085314  0.63868901
   0.78810972  0.41607432  0.81301877
   0.59811114  0.68199873 -0.01763884
   0.92912267  0.57526039  0.34974152
   0.59373113  0.89082343  0.13905550
   0.87047045  0.86618181  0.24679982
   0.69628515  0.65943188  0.46515660
   0.87844527  0.68560195  0.89536681
   0.68680974  0.92094770  0.61813988
   0.89525206  0.91691851  0.75172786
   0.17811333  0.08634761  0.12021088
   0.40241237  0.17878991  0.28131654
   0.18672759  0.32907977  0.02060235
   0.40740109  0.43386986  0.33393775
   0.56477425  0.34203820  0.18549583
   0.31194331  0.38998051  0.17180617
   0.22387698  0.15927937  0.43253318
  -0.01626990  0.19951991  0.40826169
   0.03992441 -0.01922305  0.52052783
   0.44690257  0.23433871  0.81199298
   0.08572569  0.21581980  0.59205486
   0.36152784  0.47617733  0.86722192
   0.49100863  0.44573882  0.69652173
   0.23199760  0.35898292  0.71624412
   0.28069863  0.11281473 -0.06052755
   0.03336811  0.13179469  0.95874061
   0.16611331  0.58669551  0.07866138
   0.43222908  0.69044877  0.28136281
   0.17886304  0.86205996  0.05452372
   0.36484737  0.95307182  0.36270643
   0.46357166  0.92786595  0.19872716
   0.20106585  0.85336914  0.24606889
   0.33055857  0.62418756  0.44536149
   0.07735770  0.56315471  0.38596946
   0.26577805  0.41799489  0.53392690
   0.35973088  0.68633732  0.73118343
   0.14160046  0.71830429  0.52934696
   0.34631640  0.99103699  0.78925453
   0.53016642  0.86925624  0.64529312
   0.25794549  0.92703125  0.61435507
   0.29066291  0.70651799 -0.06127956
   0.01015203  0.72703022  0.95444662
   0.65110893  0.04703940  0.09801231
   0.84857166  0.20236651  0.22712361
   0.60690675  0.28065552  0.00611850
   0.87278416  0.44568853  0.29975863
   0.04300878  0.37977835  0.17133639
   0.77118344  0.44420131  0.10235388
   0.72101168  0.21452588  0.39747977
   0.48066541  0.15166470  0.45831286
   0.69766325  0.04774378  0.54091029
   0.86229440  0.27152043  0.82282517
   0.65283550  0.32390357  0.56050674
   0.89413204  0.53278845  0.84867487
   1.03908351  0.48350180  0.58360081
   0.76783595  0.45537540  0.69986933
   0.78867293  0.08489050  0.95187663
   0.53569935  0.03124400  0.92123988
   0.53171803  0.54781656  0.05186011
   0.91199261  0.71917385  0.29356193
   0.54657188  0.80794927  0.05180889
   0.85694444  0.98388693  0.33018658
   0.98973487  0.92634614  0.17387725
   0.72867712  0.82618502  0.18856370
   0.84757271  0.61217835  0.45745622
   0.60415792  0.56920536  0.39162783
   0.63354798  0.60539682  0.57518705
   0.83839235  0.78821774  0.80659772
   0.63992064  0.81213153  0.44427271
   0.97776838  1.03671161  0.80564211
   1.01094313  0.85541201  0.67433333
   0.75608567  0.99653096  0.70748336
   0.76194996  0.69567775  0.97321876
   0.53770925  0.69754042  0.87884316
   0.78190466  0.81434394  0.59495108
   0.93335512  1.03784037  0.48922960
   0.90620684  0.25949553  0.06895721
   0.73558777  1.08918084  0.13478540
   0.42143133  0.09490987  0.65290032
   0.42835939  1.12693828  1.06480824
   0.53705445  1.30288551 -0.22717156
   0.40105461  1.08411406  0.10015272
   0.65834430  0.41674652  0.86941500
   0.56863257  0.68078408  0.58706831
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823020    0.125930   -0.016155
    -0.000000    9.653401    0.242906
    -0.000000    0.000000   14.094133
   Si   O    H 
    32    64    10
Direct configuration=  3261
   0.17433296  0.16071929  0.01181683
   0.36204828  0.10830640  0.38344427
   0.17630002  0.42581386  0.11019461
   0.41578204  0.33836302  0.24404941
   0.08703218  0.13567405  0.48836952
   0.40012966  0.09170186  0.86247960
   0.15032878  0.36505663  0.61381753
   0.37523223  0.38918062  0.77705241
   0.15884981  0.71097344  0.00299440
   0.44778031  0.58060124  0.37614037
   0.14097811  0.92968399  0.15315545
   0.36437176  0.84783007  0.27713520
   0.15294745  0.55556737  0.49757202
   0.37304848  0.65612165  0.84354172
   0.11734639  0.85170998  0.58750968
   0.38043328  0.95255558  0.68135597
   0.63205348  0.11903705  0.98448478
   0.85167824  0.15365076  0.34174260
   0.61389922  0.40606670  0.08436692
   0.88505622  0.33667164  0.15928729
   0.62847459  0.19264510  0.49089485
   0.91275228  0.13543289  0.87913129
   0.62879892  0.44236562  0.63734401
   0.78684224  0.41523688  0.81342016
   0.59857354  0.68354804 -0.01721323
   0.92841603  0.57555914  0.35050556
   0.59399063  0.89064981  0.13887373
   0.87188228  0.86672148  0.24705859
   0.69567544  0.65981587  0.46415126
   0.87733422  0.68567460  0.89509071
   0.68664629  0.92119342  0.61730388
   0.89577431  0.91801162  0.75177738
   0.17798862  0.08769115  0.11956852
   0.40062271  0.17975972  0.28266019
   0.18721328  0.32851756  0.01823582
   0.40838164  0.43503672  0.33517977
   0.56756919  0.34346035  0.18537976
   0.30973890  0.39082846  0.17180385
   0.22343542  0.15954267  0.43327652
  -0.01754195  0.19840919  0.40798735
   0.03822993 -0.01976194  0.52059786
   0.44764262  0.23668123  0.81190230
   0.08529891  0.21594666  0.59209155
   0.36129625  0.47593452  0.86665277
   0.49207773  0.44625149  0.69742057
   0.23156415  0.35773359  0.71505303
   0.28096576  0.11290478 -0.06157530
   0.03153921  0.13245989  0.96001918
   0.16742158  0.58692326  0.07820235
   0.43230872  0.69031354  0.28098052
   0.17785510  0.86240867  0.05417440
   0.36412124  0.95350146  0.36333949
   0.46324414  0.92891206  0.19957706
   0.19987645  0.85196783  0.24498448
   0.32900374  0.62523136  0.44600202
   0.07792685  0.56356258  0.38745853
   0.26675921  0.41795715  0.53444849
   0.35948307  0.68561054  0.73145426
   0.13872515  0.71954120  0.52970117
   0.34733313  0.98995623  0.78936063
   0.52876742  0.87084875  0.64526565
   0.25681918  0.92893378  0.61450750
   0.28913756  0.70807201 -0.06121032
   0.01000202  0.72803267  0.95446364
   0.65110835  0.04980337  0.09787258
   0.85006401  0.20213837  0.22594116
   0.60487655  0.28002225  0.00652488
   0.87302220  0.44595884  0.30017556
   0.04195885  0.37921199  0.16997563
   0.77300942  0.44238156  0.10261695
   0.72247525  0.21466922  0.39652905
   0.48054630  0.15022885  0.45885276
   0.69736653  0.04666434  0.54006489
   0.86319676  0.27488027  0.82264290
   0.65263898  0.32248355  0.56032000
   0.89501138  0.53301184  0.84822416
   1.04045080  0.48402590  0.58368411
   0.76906152  0.45300409  0.70022325
   0.78882987  0.08749507  0.95112351
   0.53204043  0.03182062  0.92125392
   0.53321713  0.55006501  0.05166350
   0.91167475  0.71821065  0.29302347
   0.54744739  0.80666705  0.05175544
   0.85839766  0.98164890  0.33043347
   0.98802021  0.92428283  0.17345137
   0.72840376  0.82594657  0.18871241
   0.84741336  0.61064941  0.45671803
   0.60480263  0.57118321  0.39289677
   0.63312505  0.60316283  0.57688286
   0.83952768  0.78817052  0.80530829
   0.64044710  0.80946164  0.44506549
   0.97740284  1.03560955  0.80455623
   1.01127572  0.85553487  0.67378499
   0.75689204  0.99721459  0.70840261
   0.76229803  0.69658579  0.97457390
   0.53764965  0.69574462  0.87883388
   0.77726609  0.81170030  0.59762681
   0.97333588  1.04550604  0.49570640
   0.90703293  0.26013471  0.06734921
   0.72605849  1.09404387  0.13833993
   0.43399953  0.08925210  0.65642622
   0.42265496  1.13557344  1.06653185
   0.54451222  1.30881091 -0.20220442
   0.39993928  1.08780752  0.09601017
   0.66589569  0.41949383  0.86886183
   0.56765915  0.68264876  0.59378158
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822335    0.123209   -0.016769
    -0.000000    9.653575    0.243246
    -0.000000    0.000000   14.091666
   Si   O    H 
    32    64    10
Direct configuration=  3262
   0.17433978  0.16176959  0.01164100
   0.36220507  0.10972814  0.38330194
   0.17662224  0.42353124  0.11062948
   0.41512533  0.33902155  0.24397744
   0.08863017  0.13774142  0.48908325
   0.40012258  0.08895057  0.86203816
   0.14994347  0.36426400  0.61379502
   0.37355044  0.38995753  0.77723011
   0.15834868  0.71113150  0.00289858
   0.44828570  0.58129537  0.37552649
   0.14082066  0.92952306  0.15353493
   0.36482681  0.84870635  0.27728261
   0.15361918  0.55583151  0.49844209
   0.37305200  0.65622615  0.84308587
   0.11721077  0.85050018  0.58743946
   0.38179031  0.95256156  0.68106916
   0.63312422  0.11934852  0.98377434
   0.85269408  0.15280611  0.34123025
   0.61405034  0.40628682  0.08475068
   0.88478654  0.33681859  0.15936944
   0.62632509  0.19400831  0.49020674
   0.91299323  0.13487130  0.87985338
   0.62970377  0.44432048  0.63609433
   0.78616858  0.41447182  0.81373729
   0.59866906  0.68477579 -0.01666355
   0.92759640  0.57553292  0.35114822
   0.59457870  0.88989829  0.13902609
   0.87290344  0.86735165  0.24713040
   0.69480896  0.66064334  0.46320659
   0.87682835  0.68603751  0.89461613
   0.68626764  0.92175772  0.61623241
   0.89665834  0.91817739  0.75155472
   0.17739423  0.08907479  0.11855123
   0.39957867  0.18101580  0.28303789
   0.18666284  0.32795339  0.01588326
   0.40950529  0.43462285  0.33588004
   0.56953952  0.34463543  0.18557624
   0.30703763  0.39133888  0.17185750
   0.22381948  0.15945432  0.43321391
  -0.01914396  0.19737550  0.40711067
   0.03753350 -0.02139249  0.52106786
   0.44875036  0.23845475  0.81154488
   0.08433319  0.21581444  0.59212483
   0.36102310  0.47638310  0.86595145
   0.49331811  0.44696002  0.69837075
   0.23166884  0.35736192  0.71473297
   0.28234482  0.11279439 -0.06294803
   0.02913150  0.13300721  0.96125979
   0.16876552  0.58740539  0.07807721
   0.43195496  0.68977302  0.28107124
   0.17692765  0.86297107  0.05357419
   0.36304784  0.95357034  0.36406805
   0.46263923  0.93086216  0.20032935
   0.19985114  0.85040429  0.24387474
   0.32779936  0.62706585  0.44652682
   0.07957784  0.56386560  0.38975220
   0.26782831  0.41810639  0.53475043
   0.35942408  0.68428022  0.73243643
   0.13573246  0.72065635  0.53038423
   0.34766116  0.98873269  0.79006804
   0.52762720  0.87159706  0.64517930
   0.25483169  0.93076800  0.61389092
   0.28709014  0.70920779 -0.06127115
   0.01046850  0.72903477  0.95433794
   0.65203670  0.05276699  0.09779428
   0.85114514  0.20152221  0.22532897
   0.60176698  0.27925584  0.00721564
   0.87293283  0.44578897  0.30037246
   0.04126881  0.37912491  0.16839016
   0.77462818  0.44043035  0.10352268
   0.72450364  0.21593181  0.39583395
   0.47995381  0.14984014  0.45909647
   0.69698777  0.04586434  0.53873615
   0.86478281  0.27790645  0.82229418
   0.65221145  0.32143123  0.56026383
   0.89545191  0.53275978  0.84755816
   1.04216576  0.48477480  0.58393897
   0.76949647  0.45109355  0.70048540
   0.78848308  0.09006487  0.95060467
   0.52838833  0.03253382  0.92122728
   0.53529796  0.55196506  0.05138348
   0.91208378  0.71691102  0.29227154
   0.54707227  0.80505956  0.05125983
   0.85970229  0.97901232  0.33088196
   0.98519510  0.92258134  0.17290865
   0.72760147  0.82577745  0.18826229
   0.84741216  0.60972639  0.45601444
   0.60521208  0.57284943  0.39423491
   0.63287322  0.60142869  0.57853282
   0.84026523  0.78765221  0.80433613
   0.64126398  0.80754327  0.44555819
   0.97730445  1.03415225  0.80373222
   1.01092144  0.85656859  0.67401194
   0.75752237  0.99740687  0.70947874
   0.76248852  0.69648289  0.97595939
   0.53698359  0.69424031  0.87909329
   0.77336657  0.80409487  0.59935212
   0.97424237  1.04598892  0.49910600
   0.90569210  0.26107388  0.06897895
   0.71380621  1.09665970  0.13948327
   0.44480892  0.08811657  0.65752824
   0.42083424  1.14935113  1.06543324
   0.55588480  1.31029430 -0.17530415
   0.39683335  1.08492919  0.09565067
   0.67334526  0.41984140  0.86799559
   0.56540583  0.68291920  0.59876912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821816    0.120289   -0.017292
    -0.000000    9.653890    0.243494
    -0.000000    0.000000   14.089504
   Si   O    H 
    32    64    10
Direct configuration=  3263
   0.17437232  0.16268700  0.01132136
   0.36285435  0.11191640  0.38327472
   0.17597705  0.42144108  0.11094287
   0.41521546  0.33924517  0.24452492
   0.09114466  0.14097234  0.49010271
   0.40096172  0.08714964  0.86163648
   0.14979246  0.36413191  0.61393393
   0.37173208  0.39003441  0.77676287
   0.15756719  0.71140512  0.00276224
   0.44814973  0.58293718  0.37459715
   0.14040393  0.92941969  0.15351002
   0.36575357  0.84874262  0.27748281
   0.15362834  0.55600150  0.49951183
   0.37296695  0.65660001  0.84327122
   0.11713411  0.84898967  0.58741784
   0.38407158  0.95264517  0.68044368
   0.63423585  0.11948330  0.98310990
   0.85299484  0.15248259  0.34049666
   0.61454872  0.40627323  0.08508591
   0.88503097  0.33692911  0.15877303
   0.62475984  0.19544807  0.48964834
   0.91309732  0.13480093  0.88070042
   0.63080723  0.44650134  0.63491713
   0.78589787  0.41369183  0.81422668
   0.59924773  0.68604303 -0.01528336
   0.92660241  0.57594801  0.35146154
   0.59517157  0.88866349  0.13894127
   0.87385611  0.86739925  0.24769572
   0.69442890  0.66196433  0.46243750
   0.87619866  0.68634648  0.89423367
   0.68582471  0.92286232  0.61519035
   0.89771248  0.91854560  0.75115208
   0.17702016  0.09061519  0.11689688
   0.39835081  0.18190953  0.28317764
   0.18601347  0.32715340  0.01420172
   0.41101950  0.43321650  0.33653592
   0.57084864  0.34454652  0.18667276
   0.30565827  0.39129380  0.17204986
   0.22367753  0.15936338  0.43356739
  -0.02025863  0.19686037  0.40661178
   0.03757422 -0.02351104  0.52110476
   0.45003776  0.23964894  0.81151551
   0.08342980  0.21558114  0.59232262
   0.35991128  0.47754342  0.86603614
   0.49425999  0.44746770  0.69956631
   0.23211657  0.35716841  0.71547851
   0.28407112  0.11295454 -0.06421956
   0.02632387  0.13398550  0.96302970
   0.17062018  0.58745155  0.07781695
   0.43215226  0.68963337  0.28119306
   0.17655927  0.86403264  0.05287402
   0.36232138  0.95333086  0.36484781
   0.46267856  0.93178261  0.20086326
   0.20016607  0.85044744  0.24312099
   0.32601570  0.62945683  0.44663839
   0.08078477  0.56511662  0.39254268
   0.26863383  0.41759408  0.53510767
   0.35920178  0.68412221  0.73412207
   0.13216898  0.72178680  0.53137704
   0.34810535  0.98734529  0.78970811
   0.52726390  0.87243981  0.64516302
   0.25235002  0.93265373  0.61304066
   0.28495591  0.70973481 -0.06185176
   0.01089393  0.72936798  0.95418956
   0.65241645  0.05442921  0.09731491
   0.85057890  0.20076975  0.22522776
   0.59907697  0.27809590  0.00733547
   0.87237896  0.44563879  0.30027965
   0.04105908  0.37860127  0.16704971
   0.77588286  0.43869567  0.10473952
   0.72579711  0.21655377  0.39586584
   0.47976441  0.14925661  0.45937857
   0.69653044  0.04524978  0.53773320
   0.86582994  0.28019201  0.82241708
   0.65141155  0.32039406  0.56066227
   0.89579533  0.53213200  0.84691901
   1.04354495  0.48588509  0.58405068
   0.76938924  0.44888914  0.70017359
   0.78834780  0.09258404  0.94972832
   0.52551423  0.03391148  0.92144343
   0.53777132  0.55421826  0.05152100
   0.91272253  0.71657569  0.29067984
   0.54628870  0.80376884  0.05082076
   0.86068851  0.97669771  0.33152584
   0.98184139  0.92157860  0.17189947
   0.72719486  0.82573887  0.18776795
   0.84682451  0.60877862  0.45514971
   0.60552603  0.57335175  0.39603908
   0.63223273  0.60060885  0.57999027
   0.84128455  0.78743621  0.80378178
   0.64204684  0.80684193  0.44576081
   0.97694734  1.03279565  0.80313480
   1.01036818  0.85781974  0.67416570
   0.75840928  0.99739943  0.71095048
   0.76219672  0.69724935  0.97778788
   0.53524774  0.69240450  0.87850524
   0.76886106  0.79349142  0.60094819
   0.94136623  1.04209383  0.49816336
   0.90258217  0.26233896  0.07131484
   0.70787992  1.10104453  0.14317042
   0.45036209  0.08723178  0.65702160
   0.42003056  1.15982648  1.06707786
   0.56605674  1.30369211 -0.14686764
   0.39677447  1.08653647  0.09145009
   0.66948594  0.42185884  0.87136743
   0.56980568  0.67372510  0.60243368
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821318    0.117893   -0.018145
    -0.000000    9.654156    0.244324
    -0.000000    0.000000   14.087293
   Si   O    H 
    32    64    10
Direct configuration=  3264
   0.17414778  0.16366810  0.01075357
   0.36408812  0.11421942  0.38347272
   0.17552498  0.41939754  0.11085075
   0.41613824  0.33968725  0.24496738
   0.09313762  0.14479812  0.49060203
   0.40171715  0.08586119  0.86172796
   0.15026688  0.36415616  0.61423737
   0.37028672  0.38995514  0.77588654
   0.15725047  0.71188903  0.00294877
   0.44776269  0.58406265  0.37347204
   0.14005184  0.92972069  0.15323174
   0.36686280  0.84926738  0.27738398
   0.15487737  0.55609361  0.50017650
   0.37336180  0.65665377  0.84363338
   0.11669510  0.84782392  0.58761952
   0.38602631  0.95250814  0.67961757
   0.63512687  0.11983376  0.98280495
   0.85315554  0.15199358  0.33982789
   0.61474577  0.40628361  0.08532292
   0.88547455  0.33744950  0.15820812
   0.62351469  0.19582806  0.48937313
   0.91320537  0.13488092  0.88121766
   0.63183347  0.44849438  0.63373784
   0.78553877  0.41311877  0.81426555
   0.59964102  0.68642332 -0.01386259
   0.92677971  0.57616605  0.35139131
   0.59595362  0.88792558  0.13892913
   0.87480278  0.86686983  0.24771378
   0.69432522  0.66325090  0.46193787
   0.87579614  0.68646833  0.89394234
   0.68531065  0.92363653  0.61434084
   0.89844280  0.91889054  0.75048797
   0.17623847  0.09157851  0.11561605
   0.39651512  0.18169761  0.28275795
   0.18510928  0.32559546  0.01291466
   0.41284364  0.43231278  0.33733195
   0.57133585  0.34409212  0.18732558
   0.30476478  0.39120155  0.17144253
   0.22393486  0.15860913  0.43382960
  -0.02131158  0.19630532  0.40615459
   0.03606176 -0.02433562  0.52055842
   0.45204114  0.24055011  0.81192599
   0.08272347  0.21507395  0.59223017
   0.35881894  0.47891921  0.86598540
   0.49439679  0.44788995  0.70050685
   0.23248744  0.35767451  0.71630487
   0.28521307  0.11261207 -0.06566431
   0.02302185  0.13550853  0.96503531
   0.17259105  0.58647100  0.07784872
   0.43205916  0.68870822  0.28156911
   0.17623240  0.86475696  0.05211567
   0.36078298  0.95228897  0.36581937
   0.46168534  0.93315140  0.20147178
   0.20122686  0.85062234  0.24327884
   0.32484554  0.63153077  0.44655328
   0.08232577  0.56595453  0.39527990
   0.26846400  0.41715926  0.53528965
   0.35890676  0.68458035  0.73577428
   0.12813027  0.72225036  0.53201663
   0.34849010  0.98549014  0.78923808
   0.52693950  0.87325541  0.64510660
   0.25099325  0.93459008  0.61250501
   0.28241294  0.71018474 -0.06376224
   0.01242449  0.72987186  0.95388716
   0.65280207  0.05604863  0.09717304
   0.84955248  0.19954641  0.22546245
   0.59659944  0.27681390  0.00716089
   0.87144780  0.44544222  0.29990172
   0.04044127  0.37738952  0.16616753
   0.77661840  0.43707498  0.10558231
   0.72644333  0.21651371  0.39596509
   0.47816676  0.14909590  0.45936265
   0.69615107  0.04596889  0.53665684
   0.86745222  0.28051399  0.82278738
   0.65102144  0.31952216  0.56111166
   0.89599133  0.53226293  0.84660984
   1.04467183  0.48760465  0.58416617
   0.76952070  0.44780119  0.69976039
   0.78742295  0.09539887  0.94847738
   0.52307806  0.03506815  0.92205917
   0.54027896  0.55591375  0.05155248
   0.91340331  0.71605378  0.28879175
   0.54536168  0.80315487  0.05055745
   0.86131203  0.97524403  0.33196129
   0.97865659  0.92080098  0.17104956
   0.72710086  0.82626388  0.18737734
   0.84601503  0.60742984  0.45444456
   0.60481475  0.57367074  0.39759322
   0.63191930  0.60039730  0.58050478
   0.84204476  0.78691854  0.80311975
   0.64292567  0.80775011  0.44579344
   0.97724585  1.03152744  0.80260871
   1.01041208  0.85937930  0.67426131
   0.75951622  0.99727696  0.71200465
   0.76277603  0.69802160  0.97912737
   0.53371995  0.69036879  0.87771089
   0.76727910  0.78366084  0.60214493
   0.91528042  1.02667029  0.50055803
   0.90094280  0.25941461  0.07124014
   0.70525759  1.10483563  0.15107343
   0.45352283  0.08758977  0.65526258
   0.41886467  1.16321098  1.07290063
   0.56643678  1.29336733 -0.12162643
   0.40130332  1.09328206  0.08431115
   0.66089650  0.42270726  0.87426132
   0.57175092  0.66563588  0.60672344
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820719    0.115728   -0.019114
    -0.000000    9.654155    0.245236
    -0.000000    0.000000   14.085055
   Si   O    H 
    32    64    10
Direct configuration=  3265
   0.17397010  0.16436275  0.01008915
   0.36544990  0.11624654  0.38350227
   0.17493134  0.41761361  0.11042097
   0.41704490  0.34082767  0.24498214
   0.09395704  0.14827703  0.49110937
   0.40261834  0.08551298  0.86143422
   0.15067902  0.36467786  0.61484467
   0.36900388  0.38965203  0.77490645
   0.15694423  0.71233923  0.00264354
   0.44671815  0.58554160  0.37245635
   0.13935371  0.93006073  0.15306955
   0.36759869  0.84979063  0.27706732
   0.15653372  0.55646687  0.50117296
   0.37420484  0.65664380  0.84385736
   0.11647645  0.84769941  0.58776715
   0.38792503  0.95249026  0.67826807
   0.63656938  0.12075840  0.98285606
   0.85363341  0.15131784  0.33890487
   0.61441665  0.40684006  0.08578666
   0.88609795  0.33817122  0.15760808
   0.62200129  0.19568016  0.48904648
   0.91335853  0.13493902  0.88126420
   0.63263357  0.44972946  0.63278103
   0.78509705  0.41341447  0.81419162
   0.59971044  0.68679777 -0.01310799
   0.92713518  0.57654453  0.35146210
   0.59645379  0.88756361  0.13880197
   0.87568593  0.86699809  0.24838058
   0.69444520  0.66474887  0.46184507
   0.87603766  0.68630687  0.89365122
   0.68458362  0.92424647  0.61345599
   0.89939040  0.91920317  0.74965789
   0.17581838  0.09223694  0.11504303
   0.39465716  0.18145797  0.28204891
   0.18431004  0.32432646  0.01165115
   0.41400595  0.43131189  0.33803273
   0.57102528  0.34354356  0.18779589
   0.30421787  0.39114457  0.17131890
   0.22427381  0.15780751  0.43436704
  -0.02198415  0.19613033  0.40622310
   0.03449534 -0.02436972  0.51947107
   0.45464987  0.24134870  0.81239465
   0.08256647  0.21374228  0.59223326
   0.35888655  0.48001498  0.86628692
   0.49455422  0.44795838  0.70125006
   0.23288009  0.35763630  0.71754697
   0.28536445  0.11209837 -0.06634236
   0.02060247  0.13682755  0.96715104
   0.17436139  0.58584158  0.07806822
   0.43179800  0.68863531  0.28153710
   0.17541616  0.86577525  0.05126154
   0.35958156  0.95115328  0.36690819
   0.46156419  0.93436274  0.20209239
   0.20302603  0.85075006  0.24324521
   0.32406229  0.63371417  0.44670943
   0.08361152  0.56645946  0.39754934
   0.26773917  0.41716104  0.53475823
   0.35825556  0.68475647  0.73709799
   0.12510881  0.72177555  0.53208251
   0.34898057  0.98357302  0.78829232
   0.52643897  0.87403050  0.64520408
   0.25001149  0.93590852  0.61270113
   0.28038550  0.71123183 -0.06544951
   0.01359207  0.73067937  0.95335945
   0.65296826  0.05726314  0.09701961
   0.84849893  0.19802856  0.22579232
   0.59390791  0.27576966  0.00701843
   0.87085868  0.44494552  0.29936501
   0.04051932  0.37652282  0.16503772
   0.77608991  0.43584710  0.10617323
   0.72565645  0.21653843  0.39587261
   0.47668058  0.14963692  0.45901364
   0.69667634  0.04774316  0.53563960
   0.86920411  0.28005650  0.82320507
   0.65060356  0.31777579  0.56178343
   0.89668006  0.53154989  0.84645821
   1.04515840  0.48903441  0.58463356
   0.76944801  0.44705566  0.69931663
   0.78658420  0.09789030  0.94708598
   0.52178257  0.03579691  0.92323055
   0.54328545  0.55680040  0.05199637
   0.91390408  0.71557306  0.28701020
   0.54435314  0.80373412  0.05074061
   0.86194668  0.97307711  0.33241191
   0.97550285  0.92050613  0.17025475
   0.72736556  0.82715779  0.18762628
   0.84625063  0.60666398  0.45376729
   0.60419903  0.57371463  0.39879267
   0.63253861  0.59987541  0.58089514
   0.84238947  0.78538288  0.80338226
   0.64326008  0.80964661  0.44553049
   0.97809507  1.03094801  0.80252182
   1.00954217  0.86039942  0.67496212
   0.75997029  0.99698114  0.71206127
   0.76375936  0.69912435  0.98026163
   0.53305380  0.68900283  0.87699256
   0.76344397  0.78052849  0.60163096
   0.89954065  1.00680363  0.50586688
   0.89388208  0.25303892  0.06791289
   0.69967528  1.10379919  0.15422009
   0.45509770  0.08802763  0.65328999
   0.41695090  1.16810133  1.07623041
   0.55830752  1.28441061 -0.10226304
   0.40681890  1.09592329  0.07818474
   0.65498419  0.42559850  0.87277396
   0.56947159  0.66576956  0.61700864
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819596    0.113856   -0.019437
    -0.000000    9.654639    0.246368
    -0.000000    0.000000   14.082977
   Si   O    H 
    32    64    10
Direct configuration=  3266
   0.17397156  0.16522230  0.00901002
   0.36637997  0.11815795  0.38367817
   0.17375693  0.41608657  0.10994516
   0.41782989  0.34193355  0.24486350
   0.09493150  0.15143559  0.49106962
   0.40380203  0.08560481  0.86120307
   0.15061473  0.36580891  0.61538707
   0.36768533  0.38924509  0.77331202
   0.15619330  0.71274404  0.00213286
   0.44553722  0.58644487  0.37201527
   0.13870320  0.93010989  0.15274988
   0.36838560  0.85003351  0.27629985
   0.15776897  0.55670983  0.50184985
   0.37541443  0.65632324  0.84437073
   0.11624237  0.84844149  0.58732706
   0.38973078  0.95271639  0.67702145
   0.63801674  0.12080458  0.98283534
   0.85460372  0.15043541  0.33833163
   0.61400680  0.40773528  0.08568818
   0.88668030  0.33882528  0.15735880
   0.62109139  0.19563996  0.48855393
   0.91403961  0.13519113  0.88141318
   0.63356931  0.45027714  0.63247238
   0.78416719  0.41433292  0.81408630
   0.59918772  0.68708839 -0.01275001
   0.92810500  0.57654512  0.35187386
   0.59669494  0.88826502  0.13857124
   0.87621496  0.86713808  0.24883209
   0.69493291  0.66576367  0.46189437
   0.87621231  0.68659369  0.89339858
   0.68355590  0.92436989  0.61276989
   0.90008745  0.91901971  0.74856284
   0.17546723  0.09231496  0.11489166
   0.39261646  0.18143352  0.28113100
   0.18362439  0.32465571  0.01137619
   0.41601657  0.43031749  0.33844188
   0.56954182  0.34319561  0.18825502
   0.30432371  0.39104070  0.17131135
   0.22515621  0.15750032  0.43436443
  -0.02189969  0.19608100  0.40666850
   0.03246288 -0.02337856  0.51821425
   0.45728839  0.24186455  0.81339243
   0.08186129  0.21238761  0.59238352
   0.35896204  0.48114744  0.86630984
   0.49451977  0.44800820  0.70222706
   0.23366528  0.35736732  0.71880561
   0.28505361  0.11145404 -0.06650705
   0.01915496  0.13812027  0.96868411
   0.17654361  0.58478073  0.07837929
   0.43112560  0.68873818  0.28151443
   0.17438832  0.86668769  0.05067252
   0.35796587  0.95010442  0.36822481
   0.46165573  0.93547439  0.20215419
   0.20543581  0.85095412  0.24398728
   0.32329022  0.63558866  0.44646574
   0.08423218  0.56577574  0.39974595
   0.26638783  0.41636983  0.53406122
   0.35714317  0.68505718  0.73840130
   0.12274958  0.72040721  0.53192347
   0.34924552  0.98086000  0.78770046
   0.52632763  0.87509318  0.64587428
   0.24928538  0.93822446  0.61277534
   0.27897791  0.71177149 -0.06720337
   0.01412429  0.73189060  0.95243104
   0.65310948  0.05757210  0.09753157
   0.84805005  0.19645013  0.22573008
   0.59106062  0.27561371  0.00644972
   0.87027548  0.44454594  0.29924682
   0.04007968  0.37560462  0.16450162
   0.77519912  0.43467670  0.10672254
   0.72416084  0.21631122  0.39525169
   0.47545306  0.15025340  0.45884369
   0.69735195  0.04993644  0.53456733
   0.87118878  0.27844702  0.82373388
   0.64924023  0.31608541  0.56239270
   0.89730568  0.53075907  0.84700515
   1.04580546  0.49093640  0.58519544
   0.76958343  0.44661925  0.69875260
   0.78540903  0.10093507  0.94590803
   0.52112440  0.03720853  0.92483407
   0.54719888  0.55742941  0.05163573
   0.91498549  0.71541407  0.28555375
   0.54358566  0.80582869  0.05122123
   0.86271202  0.97081474  0.33302834
   0.97208301  0.92024776  0.16942514
   0.72799838  0.82823922  0.18832048
   0.84704537  0.60598257  0.45273740
   0.60274184  0.57321965  0.39984442
   0.63261039  0.59961422  0.58149890
   0.84251960  0.78512075  0.80414118
   0.64287895  0.81224092  0.44507290
   0.97888603  1.03145645  0.80294652
   1.00857324  0.86109678  0.67580910
   0.76170984  0.99655103  0.71192342
   0.76499489  0.70067117  0.98100543
   0.53323270  0.68827234  0.87671845
   0.75916004  0.78371484  0.60079593
   0.89609753  0.98272181  0.51312729
   0.88695519  0.25077354  0.06568531
   0.69156218  1.10442940  0.15022566
   0.45082715  0.08900929  0.64887108
   0.41606949  1.17573142  1.07825792
   0.54825016  1.27889089 -0.08479280
   0.40729319  1.09577907  0.07235194
   0.65447232  0.42564794  0.86627021
   0.57143952  0.66486276  0.62405702
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818552    0.112063   -0.019217
    -0.000000    9.655280    0.247375
    -0.000000    0.000000   14.080725
   Si   O    H 
    32    64    10
Direct configuration=  3267
   0.17327971  0.16560833  0.00788771
   0.36747649  0.11867612  0.38397675
   0.17230672  0.41463680  0.10943191
   0.41843701  0.34252788  0.24407538
   0.09495923  0.15439536  0.49069012
   0.40486388  0.08556385  0.86076869
   0.15049932  0.36644588  0.61604362
   0.36676951  0.38817723  0.77169184
   0.15492751  0.71286822  0.00133802
   0.44360272  0.58689651  0.37149574
   0.13776628  0.93039528  0.15235076
   0.36871680  0.85023180  0.27587653
   0.15907201  0.55671485  0.50250361
   0.37682478  0.65627547  0.84521132
   0.11529180  0.84930282  0.58696573
   0.39142397  0.95384049  0.67571525
   0.63996822  0.12014393  0.98340680
   0.85502882  0.14939495  0.33822329
   0.61362070  0.40856303  0.08535004
   0.88698255  0.33923966  0.15764434
   0.62112472  0.19557216  0.48807497
   0.91492243  0.13573209  0.88157852
   0.63439241  0.44950447  0.63220637
   0.78381148  0.41604074  0.81398773
   0.59859797  0.68725581 -0.01260876
   0.92865089  0.57637851  0.35210308
   0.59646010  0.88880573  0.13804146
   0.87631882  0.86663517  0.24892699
   0.69589651  0.66651089  0.46218553
   0.87609272  0.68639011  0.89327859
   0.68245390  0.92470418  0.61229719
   0.90058711  0.91914873  0.74723792
   0.17511729  0.09254435  0.11395490
   0.39041769  0.18207337  0.28030553
   0.18361565  0.32548663  0.01176432
   0.41802821  0.42926133  0.33900538
   0.56804310  0.34262287  0.18840582
   0.30412798  0.39088328  0.17130689
   0.22660160  0.15631179  0.43452055
  -0.02136915  0.19642793  0.40730651
   0.03009370 -0.02235998  0.51610728
   0.45944396  0.24202264  0.81493191
   0.08222180  0.21156929  0.59282313
   0.35879377  0.48289319  0.86642163
   0.49461291  0.44810429  0.70303861
   0.23438196  0.35719101  0.72022945
   0.28421399  0.11079400 -0.06627476
   0.01798426  0.13969112  0.96967954
   0.17869653  0.58279034  0.07884201
   0.42990767  0.68940722  0.28181831
   0.17328471  0.86568118  0.05001375
   0.35635738  0.94908975  0.36910327
   0.46219216  0.93594988  0.20227726
   0.20719095  0.85105884  0.24465472
   0.32321039  0.63728336  0.44688745
   0.08439247  0.56578528  0.40135697
   0.26503440  0.41470987  0.53366190
   0.35557285  0.68667433  0.73919171
   0.12042091  0.71914728  0.53214847
   0.34964166  0.97843100  0.78658518
   0.52622164  0.87590799  0.64636534
   0.24901647  0.94054431  0.61246910
   0.27756901  0.71222017 -0.06889828
   0.01383537  0.73291398  0.95133608
   0.65316519  0.05784839  0.09829852
   0.84782745  0.19427329  0.22571847
   0.58808204  0.27533801  0.00589048
   0.87006324  0.44427439  0.29907219
   0.03959982  0.37543709  0.16375518
   0.77405114  0.43386424  0.10696156
   0.72240083  0.21628575  0.39520043
   0.47511377  0.15100375  0.45887213
   0.69882886  0.05242671  0.53382231
   0.87316060  0.27567346  0.82442031
   0.64759054  0.31463532  0.56282608
   0.89765674  0.52980390  0.84754706
   1.04584161  0.49331321  0.58580162
   0.76847265  0.44590509  0.69798291
   0.78405256  0.10356189  0.94494237
   0.52179355  0.03823228  0.92692195
   0.55053423  0.55716598  0.05159227
   0.91683343  0.71500620  0.28449899
   0.54242197  0.80880056  0.05140102
   0.86315195  0.96956851  0.33330542
   0.96969008  0.92056258  0.16828096
   0.72951418  0.82806939  0.18933971
   0.84782439  0.60572651  0.45189915
   0.60145089  0.57172902  0.40069424
   0.63265827  0.59971360  0.58228925
   0.84228804  0.78478069  0.80482307
   0.64184284  0.81529517  0.44490111
   0.97864168  1.03248184  0.80340763
   1.00897005  0.86145104  0.67650006
   0.76255908  0.99597462  0.71168185
   0.76593015  0.70243234  0.98146387
   0.53383806  0.68751155  0.87587209
   0.75546355  0.79189236  0.59971840
   0.90800702  0.96042029  0.51950554
   0.88052408  0.24740270  0.06390714
   0.69000194  1.10868409  0.14965031
   0.44722321  0.08752093  0.64465067
   0.41442837  1.17784410  1.07759022
   0.53818288  1.28082947 -0.06384319
   0.40944457  1.09951216  0.07043206
   0.65476942  0.42280344  0.85840111
   0.57808404  0.66585236  0.62528774
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817769    0.110316   -0.018935
    -0.000000    9.656081    0.248420
    -0.000000    0.000000   14.078827
   Si   O    H 
    32    64    10
Direct configuration=  3268
   0.17246102  0.16517122  0.00670800
   0.36816185  0.11852118  0.38422781
   0.17142681  0.41336673  0.10844018
   0.41800148  0.34306954  0.24370068
   0.09484156  0.15690263  0.49017740
   0.40540005  0.08589695  0.86063891
   0.15006410  0.36756526  0.61642998
   0.36689711  0.38656033  0.77052749
   0.15382678  0.71309053  0.00090313
   0.44127621  0.58771045  0.37163084
   0.13673245  0.93121155  0.15172581
   0.36831018  0.85066189  0.27531480
   0.16032575  0.55660780  0.50353364
   0.37878452  0.65576991  0.84634412
   0.11456845  0.85076207  0.58643467
   0.39241712  0.95466295  0.67417685
   0.64178529  0.11989517  0.98369858
   0.85518324  0.14868843  0.33856506
   0.61362336  0.40817135  0.08502744
   0.88685582  0.33827373  0.15896618
   0.62207999  0.19550195  0.48713650
   0.91574463  0.13612640  0.88168458
   0.63474159  0.44811125  0.63202463
   0.78438505  0.41758253  0.81373465
   0.59864247  0.68793455 -0.01305720
   0.92916599  0.57594681  0.35249227
   0.59675126  0.88981053  0.13772750
   0.87691850  0.86631683  0.24887203
   0.69741817  0.66682910  0.46219671
   0.87579705  0.68618871  0.89317864
   0.68127138  0.92564923  0.61194598
   0.90089698  0.91900120  0.74592917
   0.17485975  0.09256609  0.11287010
   0.38821815  0.18269381  0.27882982
   0.18396848  0.32702682  0.01222694
   0.42030754  0.42824874  0.33887369
   0.56637371  0.34209191  0.18837424
   0.30360212  0.39019297  0.17124264
   0.22891552  0.15513852  0.43467722
  -0.02100834  0.19666633  0.40736870
   0.02705294 -0.02132546  0.51425459
   0.46063553  0.24197756  0.81658096
   0.08267426  0.21078280  0.59271203
   0.35843943  0.48428055  0.86629762
   0.49524778  0.44842109  0.70366306
   0.23452863  0.35658944  0.72065100
   0.28370396  0.10996009 -0.06609290
   0.01797815  0.14071430  0.97046001
   0.17969421  0.58115829  0.07885134
   0.42887080  0.68968225  0.28176790
   0.17239057  0.86457133  0.04936468
   0.35537253  0.94839037  0.36976410
   0.46290923  0.93674216  0.20191549
   0.20821491  0.85130096  0.24496409
   0.32353756  0.63814534  0.44748619
   0.08425666  0.56610427  0.40246455
   0.26387134  0.41342005  0.53339755
   0.35444557  0.68775428  0.73930720
   0.11892547  0.71774764  0.53234470
   0.35029057  0.97596169  0.78590498
   0.52661859  0.87625670  0.64686463
   0.24932325  0.94271558  0.61213485
   0.27671216  0.71292343 -0.07061922
   0.01304640  0.73317437  0.94977678
   0.65344801  0.05671339  0.09883693
   0.84811842  0.19230513  0.22577067
   0.58543732  0.27632740  0.00546494
   0.87043177  0.44443256  0.29899568
   0.03911511  0.37517397  0.16344616
   0.77281433  0.43169842  0.10635962
   0.72016982  0.21583597  0.39498831
   0.47450529  0.15205311  0.45951906
   0.70064457  0.05397773  0.53293684
   0.87419788  0.27284086  0.82482371
   0.64520856  0.31410490  0.56393900
   0.89827500  0.52873186  0.84813103
   1.04623927  0.49544296  0.58697874
   0.76645309  0.44568515  0.69785868
   0.78279292  0.10604905  0.94401387
   0.52319667  0.03955372  0.92931461
   0.55385911  0.55628153  0.05107318
   0.91864698  0.71435066  0.28296034
   0.54142835  0.81217394  0.05125083
   0.86343190  0.96940159  0.33361805
   0.96812954  0.92117714  0.16684336
   0.73032361  0.82857455  0.19072871
   0.84843597  0.60536146  0.45136614
   0.60057376  0.56970303  0.40132410
   0.63323782  0.60011808  0.58274735
   0.84206600  0.78398376  0.80571301
   0.64115949  0.81786460  0.44454576
   0.97858910  1.03431072  0.80450601
   1.00986323  0.86079128  0.67699430
   0.76306190  0.99620172  0.71068151
   0.76734237  0.70432587  0.98241182
   0.53421590  0.68670288  0.87562861
   0.75003205  0.80069558  0.59947290
   0.93222897  0.93964711  0.52548401
   0.87825901  0.24762561  0.06563008
   0.68743338  1.11484989  0.14990018
   0.44349092  0.08815023  0.63800871
   0.41322328  1.17732566  1.07639225
   0.52968776  1.29264883 -0.03809475
   0.40914101  1.10777680  0.07076073
   0.65380917  0.42036992  0.85559339
   0.58808983  0.66340426  0.62314121
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817024    0.108492   -0.018810
    -0.000000    9.657171    0.249076
    -0.000000    0.000000   14.077295
   Si   O    H 
    32    64    10
Direct configuration=  3269
   0.17116883  0.16535101  0.00534786
   0.36857130  0.11799509  0.38424522
   0.16982848  0.41304056  0.10702041
   0.41784663  0.34297634  0.24337064
   0.09414547  0.15918954  0.48969787
   0.40553404  0.08636523  0.86063484
   0.14938659  0.36842408  0.61693874
   0.36815468  0.38524647  0.76988890
   0.15356829  0.71282199  0.00069476
   0.43928674  0.58838746  0.37175578
   0.13543983  0.93266577  0.15101263
   0.36796923  0.85098657  0.27481679
   0.16210456  0.55615401  0.50451960
   0.38111810  0.65515574  0.84768193
   0.11410057  0.85248646  0.58583953
   0.39258273  0.95581084  0.67277167
   0.64370449  0.11944531  0.98371615
   0.85457562  0.14843116  0.33904813
   0.61337156  0.40725959  0.08505583
   0.88654041  0.33770977  0.16016160
   0.62390322  0.19431078  0.48624396
   0.91639664  0.13640276  0.88184487
   0.63517216  0.44624532  0.63203847
   0.78535475  0.41917039  0.81330019
   0.59890731  0.68849580 -0.01377924
   0.92983859  0.57547942  0.35214895
   0.59784222  0.89064857  0.13767210
   0.87722385  0.86581702  0.24895256
   0.69857770  0.66687572  0.46228435
   0.87537591  0.68594514  0.89348258
   0.67990382  0.92674299  0.61140139
   0.90097680  0.91864999  0.74494121
   0.17434504  0.09305275  0.11215271
   0.38607725  0.18345925  0.27793782
   0.18363886  0.32889812  0.01284780
   0.42203945  0.42634021  0.33849523
   0.56466378  0.34220109  0.18841569
   0.30281880  0.39028324  0.17119900
   0.23159114  0.15350011  0.43479037
  -0.02083181  0.19670724  0.40748715
   0.02476254 -0.02088632  0.51251226
   0.46052252  0.24168705  0.81738927
   0.08294034  0.21062505  0.59321381
   0.35784338  0.48569013  0.86621019
   0.49643715  0.44903387  0.70364582
   0.23350592  0.35605311  0.72066035
   0.28344653  0.10932604 -0.06599906
   0.01843099  0.14104165  0.97122003
   0.17982482  0.57980390  0.07837414
   0.42803579  0.68952006  0.28187862
   0.17128402  0.86293047  0.04936516
   0.35491296  0.94801679  0.37027755
   0.46434151  0.93776524  0.20146136
   0.20935120  0.85215884  0.24502285
   0.32358996  0.63882508  0.44792094
   0.08375778  0.56559448  0.40316677
   0.26361471  0.41202205  0.53299390
   0.35251124  0.68968362  0.73909245
   0.11829861  0.71671294  0.53223075
   0.35113287  0.97402338  0.78542731
   0.52719240  0.87714918  0.64717475
   0.24955771  0.94404661  0.61241816
   0.27702767  0.71448815 -0.07241096
   0.01203144  0.73264163  0.94862188
   0.65370992  0.05530206  0.09897658
   0.84843979  0.19096347  0.22599986
   0.58559233  0.27684345  0.00617789
   0.87001579  0.44361771  0.29894924
   0.03897083  0.37517033  0.16278075
   0.77123246  0.43041682  0.10547813
   0.71762881  0.21505348  0.39461598
   0.47535012  0.15330936  0.46076667
   0.70238900  0.05455321  0.53220257
   0.87499199  0.27082233  0.82491678
   0.64303978  0.31431153  0.56481458
   0.89845434  0.52808599  0.84926098
   1.04647457  0.49712628  0.58812719
   0.76367985  0.44462192  0.69807848
   0.78206815  0.10796930  0.94348735
   0.52500207  0.04022734  0.93253063
   0.55712746  0.55404657  0.05009984
   0.92091814  0.71349007  0.28151705
   0.54048774  0.81533161  0.05087985
   0.86367803  0.97069779  0.33422506
   0.96760645  0.92170867  0.16489966
   0.73035008  0.82958285  0.19202886
   0.84814386  0.60538731  0.45051687
   0.59939144  0.56785120  0.40224443
   0.63380813  0.60052730  0.58281987
   0.84128843  0.78441626  0.80629742
   0.64038944  0.82103284  0.44452181
   0.98021799  1.03498544  0.80546819
   1.01095410  0.85957216  0.67722765
   0.76323480  0.99600988  0.70920964
   0.76779341  0.70605306  0.98307175
   0.53546615  0.68462659  0.87618066
   0.75295831  0.80638414  0.60052713
   0.96071126  0.92616759  0.52929632
   0.87761112  0.24818403  0.07062817
   0.68576330  1.12383782  0.14999536
   0.44120905  0.09118997  0.63334100
   0.40407275  1.18329036  1.07641562
   0.49430252  1.31789817 -0.03891632
   0.40878152  1.11276256  0.07166113
   0.65302748  0.41629261  0.85156308
   0.59050749  0.66874226  0.62294257
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816685    0.106804   -0.018693
    -0.000000    9.658268    0.249853
    -0.000000    0.000000   14.076114
   Si   O    H 
    32    64    10
Direct configuration=  3270
   0.16972157  0.16490923  0.00372301
   0.36884528  0.11685682  0.38394381
   0.16863654  0.41311632  0.10549485
   0.41779708  0.34257159  0.24297055
   0.09351299  0.16103536  0.48910402
   0.40558008  0.08659982  0.86094325
   0.14883030  0.36898664  0.61731380
   0.37034790  0.38397390  0.76960872
   0.15422881  0.71261157  0.00086083
   0.43721082  0.58867162  0.37197247
   0.13442972  0.93428420  0.15102611
   0.36734791  0.85076186  0.27473473
   0.16445794  0.55625928  0.50507025
   0.38208081  0.65418060  0.84838729
   0.11451771  0.85429332  0.58539546
   0.39272626  0.95768842  0.67103430
   0.64460553  0.11889781  0.98394448
   0.85366427  0.14826145  0.33948372
   0.61341600  0.40694796  0.08525114
   0.88617573  0.33707394  0.16143198
   0.62614829  0.19347273  0.48531806
   0.91730188  0.13662119  0.88214940
   0.63517409  0.44463348  0.63158885
   0.78670139  0.42047259  0.81277600
   0.59881503  0.68935950 -0.01475567
   0.93130060  0.57514267  0.35168410
   0.59869331  0.89204581  0.13786654
   0.87730145  0.86471602  0.24904491
   0.69940217  0.66681740  0.46262071
   0.87520688  0.68522967  0.89398525
   0.67847267  0.92809500  0.61063084
   0.90072446  0.91798544  0.74423156
   0.17408438  0.09417428  0.11190139
   0.38448815  0.18550357  0.27758187
   0.18351589  0.33054925  0.01330444
   0.42331971  0.42435200  0.33818467
   0.56355862  0.34160574  0.18821191
   0.30211689  0.38990189  0.17144283
   0.23420611  0.15171554  0.43545224
  -0.02163651  0.19709169  0.40794372
   0.02525179 -0.01875943  0.51089383
   0.46022752  0.24190691  0.81852535
   0.08318750  0.21112483  0.59394372
   0.35741230  0.48701372  0.86589987
   0.49769210  0.44994246  0.70319910
   0.23131731  0.35507887  0.71988865
   0.28286860  0.10949722 -0.06605811
   0.01837629  0.14127859  0.97164308
   0.17979000  0.57917491  0.07799622
   0.42716385  0.69016926  0.28183586
   0.17011608  0.86209483  0.04977616
   0.35495130  0.94808522  0.37079012
   0.46667127  0.93919680  0.20067916
   0.20995463  0.85308414  0.24522449
   0.32376008  0.63940863  0.44851527
   0.08285699  0.56542098  0.40369299
   0.26303994  0.41125226  0.53262113
   0.35032440  0.69258805  0.73880464
   0.11776014  0.71475365  0.53202975
   0.35182132  0.97299830  0.78479643
   0.52813292  0.87762445  0.64739807
   0.25012112  0.94435342  0.61232215
   0.27751975  0.71664870 -0.07332653
   0.01035925  0.73207138  0.94766021
   0.65364539  0.05410161  0.09923627
   0.84856701  0.19024489  0.22624246
   0.58546203  0.27823352  0.00697062
   0.86979867  0.44233321  0.29861517
   0.03849967  0.37556277  0.16222221
   0.76933441  0.42924253  0.10397966
   0.71481148  0.21508176  0.39377314
   0.47668197  0.15387775  0.46255456
   0.70363687  0.05546744  0.53199513
   0.87527646  0.26913842  0.82463460
   0.64000650  0.31469784  0.56534273
   0.89774321  0.52759773  0.85057758
   1.04663716  0.49938773  0.58936766
   0.76160862  0.44335833  0.69899698
   0.78208645  0.10856639  0.94223758
   0.52684457  0.04079604  0.93549875
   0.55952480  0.55219541  0.04951710
   0.92366810  0.71319178  0.28064985
   0.54007816  0.81833583  0.05038448
   0.86354821  0.97224733  0.33490587
   0.96837289  0.92261895  0.16261186
   0.72979934  0.83073153  0.19393126
   0.84868191  0.60606832  0.44987079
   0.59880078  0.56607258  0.40401231
   0.63429417  0.60076657  0.58275057
   0.84038434  0.78475987  0.80697973
   0.64061963  0.82471035  0.44481808
   0.98144102  1.03575864  0.80594247
   1.01267687  0.85838798  0.67712066
   0.76366769  0.99616164  0.70809531
   0.76797834  0.70702907  0.98430449
   0.53695802  0.68301931  0.87728009
   0.75919615  0.80383733  0.60162773
   0.95199797  0.89629622  0.53718988
   0.87976838  0.25049160  0.07435807
   0.67869229  1.12701112  0.14858716
   0.43275852  0.09608266  0.63263363
   0.39796472  1.19685879  1.07584003
   0.46965805  1.33763398 -0.03662590
   0.41104831  1.10853935  0.07241885
   0.64919976  0.41434940  0.85002616
   0.59129354  0.67648688  0.62322414
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816891    0.105717   -0.018928
    -0.000000    9.659286    0.250250
    -0.000000    0.000000   14.074620
   Si   O    H 
    32    64    10
Direct configuration=  3271
   0.16918421  0.16442983  0.00272298
   0.36894869  0.11531424  0.38365665
   0.16835317  0.41312426  0.10403558
   0.41799342  0.34257682  0.24271463
   0.09326727  0.16294124  0.48829509
   0.40547653  0.08683262  0.86143866
   0.14868441  0.36956657  0.61771951
   0.37289944  0.38263740  0.76992504
   0.15500605  0.71156126  0.00088379
   0.43503723  0.58935292  0.37262290
   0.13368474  0.93670209  0.15086967
   0.36713225  0.85078854  0.27487541
   0.16679503  0.55657404  0.50523181
   0.38297132  0.65332639  0.84878956
   0.11559658  0.85634260  0.58492394
   0.39235878  0.95969326  0.66953627
   0.64486604  0.11862755  0.98430053
   0.85259099  0.14800537  0.33997589
   0.61313024  0.40573578  0.08565195
   0.88564573  0.33663375  0.16301549
   0.62787404  0.19248824  0.48442322
   0.91826885  0.13696959  0.88269507
   0.63490862  0.44311663  0.63162314
   0.78815631  0.42095836  0.81237415
   0.59959121  0.69017881 -0.01543105
   0.93262885  0.57504766  0.35091180
   0.59937805  0.89337416  0.13780402
   0.87645269  0.86332839  0.24927887
   0.70035478  0.66701718  0.46281514
   0.87538625  0.68474022  0.89442273
   0.67716436  0.92966145  0.60995996
   0.90072759  0.91771843  0.74397670
   0.17478173  0.09523928  0.11196980
   0.38260502  0.18655747  0.27760144
   0.18336598  0.33170932  0.01352344
   0.42422827  0.42263372  0.33769382
   0.56249760  0.34127046  0.18819378
   0.30212560  0.38971790  0.17124757
   0.23665587  0.15039253  0.43618981
  -0.02291236  0.19759906  0.40802487
   0.02482460 -0.01729674  0.50987723
   0.45930639  0.24187008  0.81993526
   0.08334634  0.21185847  0.59463612
   0.35761899  0.48719022  0.86533975
   0.49896571  0.45093126  0.70225908
   0.22861365  0.35489311  0.71868411
   0.28236285  0.10946680 -0.06669774
   0.01815253  0.14174512  0.97175390
   0.17926735  0.57884824  0.07777017
   0.42588182  0.69074137  0.28145624
   0.16931722  0.86143773  0.04980047
   0.35485361  0.94776276  0.37103275
   0.46932909  0.93965223  0.20013015
   0.21092878  0.85364228  0.24519839
   0.32359479  0.63930044  0.44901420
   0.08200609  0.56494178  0.40367032
   0.26246113  0.40997552  0.53190649
   0.34882918  0.69533616  0.73856425
   0.11744133  0.71373459  0.53146606
   0.35384853  0.97199871  0.78361681
   0.53012296  0.87816834  0.64756481
   0.24978531  0.94488524  0.61223575
   0.27770793  0.71854165 -0.07415964
   0.00930904  0.73028510  0.94644794
   0.65334923  0.05343254  0.09968904
   0.84892484  0.18942186  0.22648083
   0.58531823  0.27997338  0.00769120
   0.86995063  0.44143186  0.29824461
   0.03781926  0.37585665  0.16147193
   0.76860722  0.42852192  0.10241749
   0.71235020  0.21510089  0.39232317
   0.47821812  0.15447996  0.46396884
   0.70503371  0.05575493  0.53214520
   0.87514263  0.26825376  0.82425391
   0.63674714  0.31448443  0.56577446
   0.89714469  0.52743149  0.85152188
   1.04640323  0.50098958  0.59172724
   0.75998193  0.44209746  0.69982729
   0.78184000  0.10965061  0.94086389
   0.52852088  0.04099888  0.93823139
   0.56115418  0.55162780  0.04886846
   0.92651241  0.71281925  0.27981316
   0.54014521  0.82071033  0.04973699
   0.86282530  0.97310653  0.33550168
   0.96994468  0.92346781  0.16025307
   0.73002552  0.83238244  0.19562951
   0.84924587  0.60641393  0.44890611
   0.59761170  0.56410447  0.40624428
   0.63491896  0.60184428  0.58309737
   0.83942362  0.78482895  0.80741783
   0.64125884  0.82829485  0.44525075
   0.98217516  1.03693482  0.80644867
   1.01458353  0.85733014  0.67710305
   0.76386326  0.99661373  0.70656532
   0.76835782  0.70791070  0.98494553
   0.53865392  0.68213644  0.87867028
   0.76515510  0.79993533  0.60265949
   0.94004017  0.88551766  0.53545118
   0.88431950  0.25050811  0.07718816
   0.67055686  1.12503380  0.14454297
   0.41978154  0.09910069  0.63206232
   0.39247360  1.19165608  1.07539489
   0.45890315  1.35237685 -0.03390016
   0.40968784  1.12191009  0.07262565
   0.64798466  0.41171466  0.84957987
   0.59078247  0.68242329  0.62146887
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817508    0.104653   -0.019402
    -0.000000    9.660351    0.250979
    -0.000000    0.000000   14.072654
   Si   O    H 
    32    64    10
Direct configuration=  3272
   0.16827626  0.16423063  0.00225887
   0.36927021  0.11380235  0.38310972
   0.16790437  0.41336183  0.10328269
   0.41871311  0.34253601  0.24254347
   0.09241292  0.16427381  0.48758345
   0.40488375  0.08714143  0.86172865
   0.14856171  0.37031939  0.61790103
   0.37633326  0.38192132  0.77036750
   0.15536063  0.71114302  0.00115095
   0.43365027  0.58983653  0.37346565
   0.13335725  0.93884156  0.15053191
   0.36752079  0.85096361  0.27487034
   0.16921255  0.55700592  0.50539388
   0.38323403  0.65218287  0.84885907
   0.11686280  0.85880598  0.58438412
   0.39208868  0.96145928  0.66801106
   0.64488268  0.11828091  0.98470520
   0.85164787  0.14817073  0.34070242
   0.61263511  0.40414489  0.08620867
   0.88407056  0.33578278  0.16458448
   0.62982939  0.19142677  0.48383603
   0.91968812  0.13694225  0.88355739
   0.63467979  0.44124991  0.63201665
   0.78963094  0.42190245  0.81230407
   0.60000099  0.69114436 -0.01590593
   0.93335814  0.57461578  0.35070293
   0.60007072  0.89453451  0.13815973
   0.87554628  0.86190615  0.24917555
   0.70112994  0.66759655  0.46313431
   0.87529226  0.68425958  0.89454162
   0.67634843  0.93080362  0.60926871
   0.90086407  0.91754935  0.74403149
   0.17613020  0.09657506  0.11181536
   0.38144783  0.18673325  0.27805137
   0.18361743  0.33130769  0.01325233
   0.42368371  0.42185060  0.33788304
   0.56113057  0.34102509  0.18864609
   0.30145089  0.38937830  0.17092956
   0.23752734  0.14912729  0.43731309
  -0.02392477  0.19828625  0.40721454
   0.02459355 -0.01703524  0.50903175
   0.45805573  0.24158824  0.82088156
   0.08413897  0.21293446  0.59475207
   0.35815540  0.48673906  0.86469593
   0.50063841  0.45199805  0.70165700
   0.22625159  0.35449930  0.71791366
   0.28173883  0.11030049 -0.06670958
   0.01719054  0.14232422  0.97178129
   0.17825694  0.57930384  0.07732857
   0.42472144  0.69166177  0.28082365
   0.16877928  0.86049712  0.04988250
   0.35416029  0.94754158  0.37076964
   0.47159459  0.93961007  0.19995628
   0.21132447  0.85453551  0.24431201
   0.32423825  0.63902391  0.44919021
   0.08011681  0.56487657  0.40317130
   0.26077023  0.40954435  0.53110695
   0.34786076  0.69790642  0.73843363
   0.11754010  0.71341230  0.53120760
   0.35650404  0.97156426  0.78318545
   0.53190776  0.87785055  0.64772645
   0.24933038  0.94515759  0.61212966
   0.27810266  0.71975482 -0.07495133
   0.00915370  0.72860939  0.94514305
   0.65357033  0.05172622  0.10006388
   0.84947815  0.18920224  0.22667723
   0.58462630  0.28294256  0.00810408
   0.87022238  0.44108479  0.29783554
   0.03660774  0.37680531  0.16087565
   0.76867569  0.42802449  0.10110593
   0.71029763  0.21552924  0.39034244
   0.47913281  0.15509010  0.46508012
   0.70652787  0.05538207  0.53256751
   0.87489267  0.26861555  0.82430141
   0.63240371  0.31403641  0.56604640
   0.89690294  0.52791219  0.85234385
   1.04649232  0.50218038  0.59393796
   0.75863847  0.44112170  0.70095878
   0.78178689  0.11016251  0.93926472
   0.52848600  0.04080320  0.94042269
   0.56219127  0.55216812  0.04792672
   0.92831468  0.71212960  0.27941029
   0.54091337  0.82227505  0.04885498
   0.86163392  0.97465840  0.33637270
   0.97134492  0.92474337  0.15788880
   0.73018569  0.83364331  0.19756369
   0.84904974  0.60705502  0.44822097
   0.59645158  0.56174623  0.40871570
   0.63580649  0.60335450  0.58316445
   0.83876228  0.78549589  0.80779599
   0.64190221  0.83083267  0.44549998
   0.98268668  1.03789299  0.80712387
   1.01627043  0.85627530  0.67719188
   0.76379953  0.99669677  0.70434211
   0.76801588  0.70839548  0.98500097
   0.54024805  0.68178134  0.88069175
   0.76879752  0.79864591  0.60428986
   0.93221468  0.88514248  0.52788323
   0.88789091  0.24791239  0.07718611
   0.66472883  1.12301042  0.14412279
   0.40936222  0.09878344  0.63113641
   0.38480826  1.18718386  1.07593417
   0.46142821  1.36075583 -0.03040505
   0.40872695  1.13193087  0.07281869
   0.65198800  0.41302215  0.84926098
   0.59171639  0.68142646  0.61803000
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818148    0.103152   -0.020329
    -0.000000    9.661447    0.251695
    -0.000000    0.000000   14.070633
   Si   O    H 
    32    64    10
Direct configuration=  3273
   0.16728778  0.16422716  0.00201288
   0.36880209  0.11218146  0.38281234
   0.16810915  0.41365476  0.10233270
   0.41962545  0.34223568  0.24265163
   0.09162276  0.16560159  0.48662380
   0.40443959  0.08790577  0.86190310
   0.14769041  0.37154991  0.61784154
   0.37943861  0.38159284  0.77051272
   0.15606253  0.71063780  0.00089413
   0.43261832  0.58986857  0.37475833
   0.13275287  0.94111681  0.15003134
   0.36728387  0.85107075  0.27503252
   0.17143407  0.55802532  0.50515467
   0.38324746  0.65184831  0.84812053
   0.11805167  0.86138983  0.58399752
   0.39140220  0.96288971  0.66668225
   0.64460807  0.11797470  0.98533317
   0.85038197  0.14809479  0.34162782
   0.61149703  0.40296882  0.08625014
   0.88219787  0.33486606  0.16561788
   0.63151577  0.19003162  0.48381788
   0.92151432  0.13752441  0.88418375
   0.63400177  0.43952823  0.63232332
   0.79119865  0.42250503  0.81209826
   0.60002563  0.69188567 -0.01565303
   0.93410584  0.57455281  0.35044752
   0.60061955  0.89516033  0.13895269
   0.87468544  0.86027105  0.24868624
   0.70090574  0.66865490  0.46362888
   0.87549477  0.68412440  0.89468803
   0.67608818  0.93134984  0.60872425
   0.90118300  0.91747980  0.74412928
   0.17700628  0.09835443  0.11139161
   0.38030381  0.18646487  0.27819075
   0.18398322  0.32964013  0.01278299
   0.42251813  0.42173922  0.33820868
   0.55946990  0.33988904  0.18846899
   0.30151454  0.38819223  0.17108254
   0.23812509  0.14855717  0.43885681
  -0.02424849  0.19980100  0.40639658
   0.02517957 -0.01721146  0.50816920
   0.45645771  0.24149915  0.82221403
   0.08534975  0.21396422  0.59533501
   0.35816506  0.48510846  0.86330800
   0.50157159  0.45300626  0.70075558
   0.22476671  0.35421724  0.71755396
   0.28100122  0.11085294 -0.06654668
   0.01561591  0.14266487  0.97178623
   0.17659996  0.57996215  0.07716023
   0.42409427  0.69162025  0.27929853
   0.16787046  0.85986493  0.04968469
   0.35352697  0.94739508  0.36987572
   0.47354440  0.93900324  0.20036923
   0.21140825  0.85570265  0.24311005
   0.32407404  0.63801861  0.44985417
   0.07904740  0.56509898  0.40271298
   0.25845594  0.40917029  0.53058271
   0.34623778  0.70061655  0.73875997
   0.11853865  0.71459888  0.53100739
   0.35922857  0.97180397  0.78274435
   0.53418116  0.87783257  0.64787322
   0.24946301  0.94529694  0.61213580
   0.27848546  0.71999916 -0.07564934
   0.01023868  0.72719702  0.94414668
   0.65338982  0.04998113  0.09960211
   0.84954534  0.18895420  0.22687856
   0.58422174  0.28664099  0.00774717
   0.87122390  0.44103969  0.29712357
   0.03597446  0.37805363  0.16070007
   0.76865490  0.42802410  0.10018078
   0.70989029  0.21618476  0.38891857
   0.47998607  0.15610139  0.46626213
   0.70794816  0.05553457  0.53250513
   0.87500849  0.27041213  0.82456170
   0.62829377  0.31381787  0.56565841
   0.89649928  0.52899747  0.85315318
   1.04747758  0.50307389  0.59640470
   0.75864507  0.44004977  0.70171765
   0.78135705  0.10955104  0.93752510
   0.52849778  0.04033273  0.94157195
   0.56275410  0.55298789  0.04741920
   0.92901965  0.71140406  0.27915131
   0.54172828  0.82342645  0.04806954
   0.86069859  0.97706872  0.33749183
   0.97161292  0.92450763  0.15619640
   0.73096151  0.83509101  0.19903389
   0.84841241  0.60839278  0.44781987
   0.59482117  0.55995799  0.41058001
   0.63642095  0.60522530  0.58278556
   0.83732148  0.78626800  0.80770022
   0.64223226  0.83272730  0.44616276
   0.98319310  1.03826429  0.80752067
   1.01733821  0.85521530  0.67711508
   0.76356288  0.99651207  0.70232893
   0.76772926  0.70904410  0.98509909
   0.54115616  0.68192390  0.88229319
   0.76986959  0.79750394  0.60378224
   0.92944097  0.89382451  0.51535467
   0.89108396  0.24385710  0.07805160
   0.66438369  1.12873567  0.15174989
   0.40472174  0.10562445  0.62868239
   0.37782898  1.19105391  1.07759073
   0.47392795  1.36299030 -0.02689462
   0.40699365  1.12961299  0.07199457
   0.65450555  0.41673275  0.84974835
   0.58768913  0.67606032  0.61513285
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818788    0.102100   -0.020747
    -0.000000    9.662122    0.253019
    -0.000000    0.000000   14.068995
   Si   O    H 
    32    64    10
Direct configuration=  3274
   0.16662096  0.16398306  0.00170757
   0.36957564  0.11053895  0.38267560
   0.16795095  0.41467888  0.10162242
   0.42037121  0.34223095  0.24272151
   0.09066830  0.16661360  0.48556240
   0.40385211  0.08820720  0.86179662
   0.14652562  0.37184322  0.61793278
   0.38212199  0.38181949  0.77089347
   0.15651160  0.71009229  0.00079143
   0.43226582  0.58917987  0.37566703
   0.13174853  0.94336834  0.14958237
   0.36746171  0.85138326  0.27538069
   0.17282840  0.55961303  0.50487270
   0.38285665  0.65230045  0.84727944
   0.11960594  0.86311227  0.58378639
   0.39114195  0.96408726  0.66576276
   0.64393132  0.11862142  0.98595614
   0.84982462  0.14819148  0.34228890
   0.61089936  0.40243590  0.08596790
   0.88045103  0.33374373  0.16634743
   0.63308830  0.18831874  0.48363017
   0.92289406  0.13751494  0.88462867
   0.63331149  0.43788509  0.63257256
   0.79253829  0.42248934  0.81211454
   0.59993685  0.69288839 -0.01515353
   0.93461742  0.57386396  0.35025642
   0.60106431  0.89533434  0.13946625
   0.87397135  0.85906796  0.24780220
   0.70051058  0.66967335  0.46429455
   0.87523170  0.68358144  0.89495801
   0.67677201  0.93171894  0.60843998
   0.90181064  0.91715461  0.74393082
   0.17726257  0.10040752  0.11146610
   0.37887538  0.18567231  0.27855165
   0.18484889  0.32701859  0.01205299
   0.42116882  0.42253906  0.33948646
   0.55835220  0.33848654  0.18729727
   0.30152914  0.38838531  0.17070889
   0.23749051  0.14775202  0.44066942
  -0.02423369  0.20138903  0.40588143
   0.02604673 -0.01869643  0.50778330
   0.45468465  0.24169102  0.82288729
   0.08619087  0.21539990  0.59514009
   0.35860149  0.48373279  0.86216070
   0.50187514  0.45310952  0.69986111
   0.22388872  0.35363656  0.71800555
   0.27971454  0.11032121 -0.06624311
   0.01415015  0.14310544  0.97165775
   0.17511310  0.57892368  0.07691305
   0.42274862  0.69134715  0.27750426
   0.16724139  0.85970212  0.04919741
   0.35329235  0.94667880  0.36911011
   0.47454701  0.93844852  0.20042761
   0.21165713  0.85671540  0.24153925
   0.32352458  0.63638764  0.45050861
   0.07830686  0.56533622  0.40159081
   0.25634116  0.40941530  0.53033821
   0.34523376  0.70389059  0.73922142
   0.11969892  0.71618279  0.53109429
   0.36259730  0.97251145  0.78253620
   0.53571394  0.87742710  0.64871766
   0.24994280  0.94525671  0.61219449
   0.27979048  0.72033791 -0.07581251
   0.01209748  0.72515704  0.94322597
   0.65350915  0.05026918  0.09939153
   0.84831373  0.18845254  0.22740786
   0.58312938  0.29077438  0.00703547
   0.87210981  0.44124938  0.29702953
   0.03521798  0.37847375  0.16089937
   0.76928845  0.42744923  0.09978238
   0.70992041  0.21692372  0.38811713
   0.48031012  0.15705117  0.46730710
   0.70932346  0.05579720  0.53284581
   0.87559019  0.27177903  0.82418867
   0.62436000  0.31301619  0.56512298
   0.89611004  0.53041691  0.85398828
   1.04799830  0.50435228  0.59890182
   0.75852729  0.43919255  0.70246021
   0.78033586  0.10898872  0.93641982
   0.52865497  0.03927056  0.94227912
   0.56262994  0.55389564  0.04700369
   0.92982774  0.71129031  0.27849388
   0.54291791  0.82371775  0.04728877
   0.85966176  0.97773538  0.33803254
   0.97059084  0.92513369  0.15510823
   0.73146755  0.83680621  0.20012905
   0.84708957  0.60942229  0.44773497
   0.59354531  0.55893876  0.41227333
   0.63759600  0.60662127  0.58235453
   0.83566907  0.78706727  0.80740034
   0.64288745  0.83443543  0.44661370
   0.98289820  1.03796926  0.80749566
   1.01742180  0.85397000  0.67697175
   0.76382229  0.99600331  0.70062111
   0.76771077  0.70978504  0.98492801
   0.54185174  0.68211392  0.88381674
   0.76841336  0.80268385  0.59950826
   0.93379126  0.91357298  0.50161803
   0.89500953  0.24171419  0.07792947
   0.66475708  1.12633978  0.15123392
   0.40837456  0.11415046  0.62869862
   0.37087820  1.19957078  1.07834462
   0.49146370  1.35455774 -0.02210037
   0.40532643  1.12276947  0.07140126
   0.65394188  0.41994996  0.84984718
   0.57554769  0.67609097  0.61622412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819736    0.100981   -0.021014
    -0.000000    9.663124    0.254791
    -0.000000    0.000000   14.067640
   Si   O    H 
    32    64    10
Direct configuration=  3275
   0.16598024  0.16352234  0.00118247
   0.37089502  0.10957435  0.38240486
   0.16790182  0.41618085  0.10116159
   0.42074926  0.34291207  0.24319025
   0.08953089  0.16752815  0.48440769
   0.40354909  0.08886070  0.86158773
   0.14602739  0.37248793  0.61792215
   0.38479547  0.38174669  0.77120820
   0.15711743  0.70975898  0.00063392
   0.43183205  0.58854150  0.37628637
   0.13045985  0.94533333  0.14867294
   0.36786171  0.85164577  0.27540630
   0.17405631  0.56117583  0.50406033
   0.38207028  0.65351686  0.84636550
   0.12042407  0.86438412  0.58335783
   0.39085897  0.96491261  0.66501226
   0.64314956  0.11985675  0.98672079
   0.84845038  0.14877753  0.34283702
   0.61030763  0.40238964  0.08604784
   0.87875996  0.33257448  0.16701911
   0.63461017  0.18688073  0.48386111
   0.92310081  0.13830525  0.88458565
   0.63332220  0.43650784  0.63284415
   0.79401177  0.42158211  0.81232692
   0.60026797  0.69444590 -0.01423082
   0.93487857  0.57347422  0.35023955
   0.60144841  0.89535597  0.14006462
   0.87353244  0.85851146  0.24715521
   0.69990892  0.67038433  0.46470610
   0.87518662  0.68290453  0.89504545
   0.67741186  0.93164999  0.60845712
   0.90248852  0.91692974  0.74433463
   0.17743531  0.10229539  0.11204902
   0.37754643  0.18547248  0.27937965
   0.18665597  0.32417432  0.01080053
   0.42032747  0.42409353  0.34047173
   0.55838095  0.33765946  0.18565617
   0.30162762  0.38881211  0.17037612
   0.23697685  0.14790738  0.44183934
  -0.02344969  0.20343691  0.40580547
   0.02677280 -0.02010467  0.50729647
   0.45246705  0.24282920  0.82339411
   0.08678734  0.21686324  0.59434062
   0.35971063  0.48237551  0.86087979
   0.50229819  0.45300016  0.69939856
   0.22427631  0.35361204  0.71855085
   0.27853184  0.10938332 -0.06619666
   0.01262308  0.14309428  0.97161117
   0.17441199  0.57773127  0.07663353
   0.42075101  0.69105260  0.27598523
   0.16664188  0.85976074  0.04852631
   0.35298019  0.94644477  0.36862358
   0.47494801  0.93736353  0.20113051
   0.21125535  0.85795790  0.23965026
   0.32271925  0.63504477  0.45152839
   0.07785772  0.56496894  0.40047554
   0.25406331  0.41003161  0.53028421
   0.34445383  0.70718062  0.74024310
   0.12129928  0.71860542  0.53152089
   0.36535129  0.97343323  0.78279794
   0.53720388  0.87679238  0.64964283
   0.24979808  0.94579896  0.61247244
   0.28025867  0.72052264 -0.07537538
   0.01358137  0.72357652  0.94271428
   0.65363124  0.05024173  0.09972361
   0.84715398  0.18839717  0.22858337
   0.58175286  0.29414469  0.00620612
   0.87335318  0.44154753  0.29753219
   0.03488224  0.37929857  0.16169048
   0.77046881  0.42674177  0.09941468
   0.71099794  0.21729348  0.38744900
   0.48100133  0.15711715  0.46800496
   0.71046625  0.05623064  0.53330374
   0.87578556  0.27359382  0.82373416
   0.62119245  0.31164752  0.56426797
   0.89508793  0.53105638  0.85498623
   1.04810094  0.50468001  0.60110811
   0.75839362  0.43934674  0.70307881
   0.77824373  0.10802685  0.93594051
   0.52772764  0.03799138  0.94225318
   0.56217867  0.55520483  0.04716071
   0.93085383  0.71187649  0.27737263
   0.54451586  0.82393675  0.04624152
   0.85928918  0.97762538  0.33824853
   0.96965919  0.92592201  0.15384816
   0.73131738  0.83896963  0.20047736
   0.84540882  0.61061084  0.44728554
   0.59268210  0.55830324  0.41304407
   0.63949309  0.60768402  0.58188784
   0.83371596  0.78786256  0.80662969
   0.64309082  0.83506971  0.44725610
   0.98153213  1.03751206  0.80752608
   1.01643553  0.85333285  0.67713401
   0.76408556  0.99536040  0.69936087
   0.76675044  0.71009354  0.98453159
   0.54208250  0.68138569  0.88463493
   0.76606757  0.81260957  0.59372832
   0.94781404  0.94721378  0.48825626
   0.89624357  0.24101081  0.07924161
   0.66471192  1.11220599  0.14625227
   0.41424431  0.11992151  0.63102516
   0.37611835  1.19479436  1.08080516
   0.51036034  1.33953748 -0.01915948
   0.39973466  1.12816849  0.07334279
   0.65411535  0.42397826  0.85272819
   0.56783708  0.67287897  0.61559445
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820582    0.099741   -0.020558
    -0.000000    9.663716    0.256317
    -0.000000    0.000000   14.065920
   Si   O    H 
    32    64    10
Direct configuration=  3276
   0.16485915  0.16265079  0.00119813
   0.37201450  0.10913548  0.38184596
   0.16811936  0.41744686  0.10086196
   0.42052247  0.34345392  0.24404292
   0.08805597  0.16763258  0.48336883
   0.40339214  0.08910770  0.86146741
   0.14616046  0.37321817  0.61767605
   0.38672618  0.38182181  0.77095881
   0.15747352  0.70977863  0.00081019
   0.43167220  0.58735694  0.37660536
   0.12979844  0.94667034  0.14791761
   0.36822411  0.85237311  0.27573186
   0.17481682  0.56244841  0.50343130
   0.38156028  0.65509532  0.84484740
   0.12045986  0.86472707  0.58317407
   0.39068763  0.96516319  0.66433134
   0.64250487  0.12083188  0.98750940
   0.84686075  0.14984577  0.34338156
   0.61023401  0.40342668  0.08680918
   0.87677767  0.33178458  0.16743414
   0.63664445  0.18592050  0.48470916
   0.92290190  0.13942184  0.88404562
   0.63330173  0.43648359  0.63266354
   0.79525729  0.42021165  0.81263400
   0.60062915  0.69626833 -0.01319688
   0.93521554  0.57326867  0.35034739
   0.60141091  0.89548990  0.14081340
   0.87345164  0.85834130  0.24627187
   0.69931718  0.67069633  0.46511945
   0.87516222  0.68204489  0.89574805
   0.67873251  0.93138540  0.60874654
   0.90312637  0.91617186  0.74466327
   0.17727170  0.10409537  0.11223280
   0.37555133  0.18489154  0.28026717
   0.18862800  0.32255908  0.00943041
   0.41969122  0.42641011  0.34068372
   0.55842270  0.33598127  0.18418594
   0.30139153  0.38860503  0.17008162
   0.23673642  0.14786307  0.44310049
  -0.02242902  0.20499518  0.40588283
   0.03000948 -0.02089631  0.50755086
   0.45017347  0.24376619  0.82372648
   0.08764074  0.21925750  0.59349387
   0.36027904  0.48053111  0.85911207
   0.50283986  0.45326979  0.69911170
   0.22572556  0.35372160  0.71977877
   0.27815639  0.10908045 -0.06659648
   0.01127199  0.14237035  0.97141464
   0.17398908  0.57716694  0.07633938
   0.41927098  0.69158260  0.27463841
   0.16626577  0.85886393  0.04782631
   0.35285882  0.94610322  0.36795798
   0.47477456  0.93642682  0.20207955
   0.21120810  0.85931627  0.23756331
   0.32126055  0.63372238  0.45242925
   0.07845868  0.56437667  0.39956706
   0.25272154  0.41049763  0.53063293
   0.34378144  0.70992414  0.74107460
   0.12334083  0.72234740  0.53214600
   0.36713211  0.97452663  0.78291800
   0.53799049  0.87609658  0.65032261
   0.25025444  0.94670845  0.61245180
   0.28044971  0.72114684 -0.07482647
   0.01442562  0.72157732  0.94287680
   0.65354987  0.04982909  0.09945115
   0.84588498  0.18857590  0.23012498
   0.58143705  0.29613124  0.00556076
   0.87434822  0.44101111  0.29825834
   0.03402780  0.37872958  0.16230301
   0.77092475  0.42669591  0.09963667
   0.71215393  0.21802688  0.38687525
   0.48079213  0.15678213  0.46813771
   0.71208726  0.05629122  0.53384247
   0.87621382  0.27506125  0.82330447
   0.61874059  0.30968561  0.56312842
   0.89329403  0.53178894  0.85576885
   1.04809243  0.50557629  0.60322329
   0.75841089  0.44034242  0.70331221
   0.77673882  0.10677923  0.93598150
   0.52596826  0.03700902  0.94257891
   0.56202346  0.55520594  0.04786861
   0.93092448  0.71177450  0.27660954
   0.54700401  0.82491128  0.04534625
   0.85888088  0.97640075  0.33762089
   0.96837852  0.92711187  0.15298245
   0.73053441  0.84148859  0.20024915
   0.84356468  0.61146995  0.44712519
   0.59153303  0.55838598  0.41298504
   0.64102564  0.60865948  0.58199457
   0.83151084  0.78888927  0.80623188
   0.64427756  0.83541705  0.44854713
   0.98067328  1.03623851  0.80748527
   1.01549049  0.85385079  0.67696495
   0.76381071  0.99555153  0.69834935
   0.76620878  0.71013606  0.98377990
   0.54211598  0.68068802  0.88525984
   0.76463608  0.82177354  0.58768612
   0.93376927  0.96818078  0.47004969
   0.89859738  0.24397260  0.08332777
   0.66919507  1.11609314  0.15172484
   0.42237562  0.11938730  0.63561731
   0.38058428  1.19019932  1.08395683
   0.50476323  1.33464014 -0.03001409
   0.39631798  1.12854559  0.07581663
   0.65924737  0.42529679  0.85520459
   0.56545623  0.66724340  0.61227783
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821782    0.097947   -0.019922
    -0.000000    9.664209    0.257694
    -0.000000    0.000000   14.064509
   Si   O    H 
    32    64    10
Direct configuration=  3277
   0.16315238  0.16189369  0.00095560
   0.37345287  0.10883334  0.38160938
   0.16841323  0.41809542  0.10098029
   0.42034011  0.34424354  0.24499171
   0.08661467  0.16721359  0.48259232
   0.40363157  0.09014554  0.86152592
   0.14659229  0.37446811  0.61773200
   0.38800447  0.38187621  0.77039400
   0.15824235  0.70965096  0.00107942
   0.43162770  0.58609152  0.37701149
   0.12932092  0.94754349  0.14737966
   0.36859660  0.85334980  0.27594663
   0.17528455  0.56353301  0.50271435
   0.38092934  0.65677086  0.84327809
   0.12022109  0.86510817  0.58334826
   0.39094851  0.96569107  0.66426510
   0.64244955  0.12215086  0.98845081
   0.84493965  0.15082915  0.34356100
   0.61018954  0.40483107  0.08789732
   0.87512891  0.33147268  0.16808006
   0.63840431  0.18449077  0.48562275
   0.92270812  0.14132360  0.88271533
   0.63305935  0.43619796  0.63232026
   0.79688374  0.41838328  0.81295109
   0.60089065  0.69738724 -0.01177162
   0.93617138  0.57362286  0.35001986
   0.60228610  0.89584099  0.14141419
   0.87326689  0.85913643  0.24513129
   0.69751599  0.67234105  0.46562667
   0.87489270  0.68110167  0.89669059
   0.67982365  0.93126641  0.60910945
   0.90399017  0.91542928  0.74526887
   0.17720344  0.10560306  0.11285711
   0.37459183  0.18424170  0.28120118
   0.19012696  0.32186248  0.00826066
   0.41966979  0.42886575  0.34069669
   0.55824879  0.33438633  0.18243878
   0.30155614  0.38829972  0.16996910
   0.23667574  0.14866219  0.44383025
  -0.02166646  0.20672424  0.40595745
   0.03303708 -0.02147134  0.50744192
   0.44809424  0.24487935  0.82413398
   0.08873042  0.22160870  0.59260284
   0.36149929  0.47952976  0.85688617
   0.50338437  0.45321891  0.69931960
   0.22730178  0.35400788  0.72136173
   0.27829113  0.10827680 -0.06704817
   0.00998423  0.14084525  0.97149596
   0.17292726  0.57644936  0.07599957
   0.41840812  0.69149199  0.27414922
   0.16562250  0.85777069  0.04746637
   0.35293476  0.94522725  0.36713067
   0.47424540  0.93473778  0.20393509
   0.21037159  0.86091648  0.23603246
   0.31998289  0.63257558  0.45321761
   0.08003956  0.56385405  0.39927321
   0.25157386  0.41058237  0.53086571
   0.34284204  0.71361621  0.74159895
   0.12486703  0.72602178  0.53259015
   0.36865564  0.97725910  0.78315346
   0.53821474  0.87556936  0.65097129
   0.25169199  0.94759890  0.61280456
   0.28101206  0.72129126 -0.07490300
   0.01458322  0.72045831  0.94265387
   0.65408012  0.04993149  0.09927684
   0.84467195  0.18840211  0.23113455
   0.58186691  0.29817760  0.00506112
   0.87398066  0.44087329  0.29870678
   0.03419377  0.37832774  0.16267482
   0.77141470  0.42654788  0.09967604
   0.71373844  0.21878534  0.38660222
   0.48022779  0.15645514  0.46734653
   0.71447414  0.05622256  0.53456511
   0.87647994  0.27607847  0.82303439
   0.61630092  0.30735852  0.56258030
   0.89237389  0.53307773  0.85654530
   1.04813118  0.50638260  0.60517973
   0.75759595  0.44155943  0.70328922
   0.77512722  0.10601446  0.93615935
   0.52426811  0.03632285  0.94259002
   0.56159744  0.55469094  0.04900647
   0.93132300  0.71166280  0.27635238
   0.54872179  0.82562790  0.04446816
   0.85810032  0.97463985  0.33667777
   0.96700504  0.92817480  0.15257192
   0.72871771  0.84417757  0.20040190
   0.84270598  0.61270858  0.44697715
   0.59039477  0.55861506  0.41313637
   0.64311722  0.60948293  0.58219412
   0.82975689  0.79069136  0.80603313
   0.64596859  0.83467211  0.44968292
   0.98060421  1.03444136  0.80749981
   1.01533013  0.85478736  0.67625321
   0.76537899  0.99596872  0.69701138
   0.76649696  0.70988561  0.98314299
   0.54157856  0.68031041  0.88482700
   0.76941623  0.82415686  0.58269338
   0.92590826  0.98773872  0.45912277
   0.90042387  0.24265001  0.08675138
   0.67470198  1.11650366  0.15287651
   0.43383298  0.11052396  0.64181068
   0.38182394  1.19449712  1.08652128
   0.49811665  1.33050125 -0.04642863
   0.39872843  1.12014944  0.07817388
   0.66807042  0.42393397  0.85921415
   0.56384252  0.65990889  0.60657752
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822951    0.096152   -0.018678
    -0.000000    9.665342    0.259015
    -0.000000    0.000000   14.063135
   Si   O    H 
    32    64    10
Direct configuration=  3278
   0.16206000  0.16048290  0.00071267
   0.37511345  0.10827800  0.38218205
   0.16896357  0.41828746  0.10134366
   0.42036047  0.34441674  0.24540522
   0.08610565  0.16613447  0.48199361
   0.40411267  0.09052291  0.86125320
   0.14618029  0.37574927  0.61828986
   0.38932338  0.38192603  0.76980394
   0.15907082  0.70968914  0.00162902
   0.43218565  0.58438061  0.37715804
   0.12908943  0.94822335  0.14669397
   0.36868409  0.85460194  0.27608819
   0.17508789  0.56500185  0.50184590
   0.37964629  0.65772078  0.84174894
   0.11989478  0.86552891  0.58320655
   0.39180244  0.96671897  0.66482598
   0.64144309  0.12337412  0.98910152
   0.84386692  0.15149265  0.34373200
   0.61012794  0.40714256  0.08904969
   0.87320948  0.33166669  0.16880044
   0.64019807  0.18283168  0.48654903
   0.92221247  0.14272478  0.88117729
   0.63253975  0.43574806  0.63191795
   0.79820641  0.41608526  0.81394428
   0.60156604  0.69782025 -0.01056220
   0.93690967  0.57399929  0.34989369
   0.60244788  0.89556176  0.14171915
   0.87303849  0.86012265  0.24399723
   0.69469101  0.67456833  0.46625921
   0.87444893  0.68078841  0.89721270
   0.68115550  0.93109800  0.60927387
   0.90427606  0.91488541  0.74572667
   0.17700956  0.10707932  0.11342151
   0.37483518  0.18409486  0.28166531
   0.19252632  0.32134078  0.00808111
   0.41940519  0.43146323  0.34055145
   0.55849753  0.33326303  0.18146035
   0.30239873  0.38841660  0.17000264
   0.23668582  0.14873776  0.44418663
  -0.02128655  0.20835669  0.40538564
   0.03512147 -0.02110036  0.50709422
   0.44645710  0.24587768  0.82411756
   0.08910790  0.22306997  0.59128655
   0.36221917  0.47975659  0.85528977
   0.50334440  0.45259473  0.69976591
   0.22963620  0.35404691  0.72303111
   0.27737941  0.10784537 -0.06783688
   0.00923200  0.13935734  0.97225806
   0.17211280  0.57642338  0.07542996
   0.41833680  0.69136792  0.27396535
   0.16528643  0.85770931  0.04720655
   0.35265341  0.94387311  0.36619396
   0.47339434  0.93381644  0.20561816
   0.20879149  0.86177541  0.23462903
   0.31851034  0.63183213  0.45349449
   0.08162807  0.56263518  0.39905984
   0.25106755  0.41077312  0.53115008
   0.34322186  0.71733192  0.74142881
   0.12570147  0.72914539  0.53283111
   0.36973220  0.98084055  0.78368877
   0.53813044  0.87570417  0.65143921
   0.25352715  0.94814073  0.61281001
   0.28097488  0.72124464 -0.07470103
   0.01570340  0.71981749  0.94284589
   0.65463673  0.05071602  0.09921639
   0.84351361  0.18742261  0.23247177
   0.58260621  0.29902157  0.00387779
   0.87379947  0.44081027  0.29935324
   0.03442932  0.37858704  0.16262780
   0.77224376  0.42615167  0.09965875
   0.71488296  0.22020858  0.38616933
   0.47934394  0.15673096  0.46625440
   0.71684841  0.05618770  0.53538686
   0.87717650  0.27637323  0.82323236
   0.61420440  0.30700261  0.56201374
   0.89191137  0.53399852  0.85744672
   1.04847784  0.50724658  0.60690400
   0.75735029  0.44279658  0.70332265
   0.77391831  0.10579996  0.93629135
   0.52312912  0.03700080  0.94261796
   0.56150765  0.55492546  0.05036116
   0.93180635  0.71224773  0.27618515
   0.55039167  0.82630785  0.04424416
   0.85734589  0.97277383  0.33574992
   0.96518808  0.92841936  0.15229359
   0.72743618  0.84685307  0.20001606
   0.84062490  0.61348875  0.44605973
   0.58936662  0.55952486  0.41329572
   0.64419138  0.61033850  0.58291437
   0.82726262  0.79218219  0.80595982
   0.64774074  0.83363269  0.45090956
   0.98050855  1.03306648  0.80752371
   1.01585236  0.85564663  0.67504330
   0.76719878  0.99680482  0.69603292
   0.76706266  0.70888147  0.98225385
   0.54174459  0.68128924  0.88408540
   0.78070160  0.82072788  0.57814147
   0.92611241  1.00009684  0.45312445
   0.90191133  0.24113859  0.08857346
   0.68028129  1.11291277  0.15045146
   0.44498841  0.10152440  0.64459301
   0.38583258  1.19288966  1.08743222
   0.49646057  1.32889551 -0.05546940
   0.40203033  1.11338418  0.08119014
   0.67263187  0.42310843  0.86372119
   0.56088448  0.65475012  0.60309985
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823557    0.094731   -0.017306
    -0.000000    9.666627    0.261022
    -0.000000    0.000000   14.061830
   Si   O    H 
    32    64    10
Direct configuration=  3279
   0.16066292  0.15930448  0.00066223
   0.37667713  0.10731174  0.38292652
   0.16957158  0.41858110  0.10132173
   0.41989700  0.34419138  0.24551829
   0.08530062  0.16448641  0.48201489
   0.40494559  0.09098349  0.86089365
   0.14610483  0.37653207  0.61948653
   0.38954044  0.38188733  0.76929642
   0.15979055  0.70995999  0.00165357
   0.43243189  0.58284094  0.37708527
   0.12828451  0.94889872  0.14579261
   0.36808132  0.85572103  0.27611511
   0.17453797  0.56699658  0.50170768
   0.37863970  0.65833909  0.84041949
   0.11941503  0.86607153  0.58276116
   0.39284961  0.96711153  0.66586898
   0.64055627  0.12495518  0.98933449
   0.84317280  0.15189905  0.34398940
   0.61039066  0.40961764  0.09027997
   0.87171563  0.33260750  0.16948853
   0.64107835  0.18165103  0.48720623
   0.92130879  0.14391123  0.87944094
   0.63216392  0.43502154  0.63186651
   0.79932961  0.41426613  0.81474543
   0.60250072  0.69792569 -0.00983687
   0.93713904  0.57431678  0.34984907
   0.60204085  0.89476332  0.14187659
   0.87325522  0.86132203  0.24294435
   0.69184405  0.67665074  0.46685329
   0.87373106  0.68078667  0.89737750
   0.68173266  0.93080711  0.60911425
   0.90432450  0.91378031  0.74613743
   0.17633459  0.10775292  0.11378849
   0.37442669  0.18435225  0.28174398
   0.19434756  0.32056026  0.00876363
   0.41959867  0.43313556  0.34071983
   0.55873036  0.33178505  0.18156412
   0.30379806  0.38845496  0.16992963
   0.23740678  0.14827572  0.44365622
  -0.02146985  0.21003285  0.40536914
   0.03605387 -0.02046062  0.50608035
   0.44535487  0.24571923  0.82419776
   0.08947777  0.22313208  0.58965813
   0.36304101  0.47993771  0.85371241
   0.50337388  0.45182518  0.70025512
   0.23265348  0.35444082  0.72443636
   0.27687473  0.10786943 -0.06832614
   0.00899490  0.13798938  0.97296191
   0.17166652  0.57619842  0.07455933
   0.41871289  0.69136086  0.27392940
   0.16500153  0.85808946  0.04725888
   0.35273953  0.94243410  0.36653061
   0.47194913  0.93322761  0.20703098
   0.20811858  0.86255596  0.23327119
   0.31752817  0.63077311  0.45340164
   0.08445242  0.56073558  0.39955709
   0.25063704  0.41116463  0.53117117
   0.34338927  0.72030357  0.74098959
   0.12694057  0.73166200  0.53219057
   0.37093822  0.98381936  0.78326806
   0.53834846  0.87534912  0.65201054
   0.25458817  0.94871980  0.61303966
   0.28124433  0.72115467 -0.07461791
   0.01646411  0.71952428  0.94370394
   0.65470168  0.05235467  0.09968945
   0.84226110  0.18633615  0.23313950
   0.58340682  0.29871987  0.00229046
   0.87362163  0.44149748  0.29956649
   0.03467049  0.37779657  0.16248077
   0.77264629  0.42613514  0.09989128
   0.71593610  0.22109572  0.38559137
   0.47815767  0.15741661  0.46467647
   0.71945072  0.05684326  0.53592207
   0.87807924  0.27721651  0.82293659
   0.61249420  0.30730558  0.56179194
   0.89165752  0.53400761  0.85826347
   1.04965100  0.50766114  0.60865978
   0.75788193  0.44441460  0.70357829
   0.77210319  0.10612705  0.93561360
   0.52218698  0.03837893  0.94261890
   0.56032254  0.55576900  0.05139032
   0.93228218  0.71286535  0.27659099
   0.55180002  0.82669233  0.04424942
   0.85608679  0.97171299  0.33458945
   0.96342904  0.92807609  0.15233808
   0.72641435  0.84869936  0.19969815
   0.83907165  0.61392263  0.44548953
   0.58782015  0.56086567  0.41318775
   0.64619663  0.61080361  0.58362205
   0.82543280  0.79386559  0.80676882
   0.64894421  0.83209487  0.45113690
   0.98065518  1.03224763  0.80791275
   1.01613962  0.85662387  0.67365953
   0.76907197  0.99665385  0.69547806
   0.76747709  0.70908914  0.98179513
   0.54135686  0.68142514  0.88343423
   0.79069747  0.81867163  0.57797526
   0.93235468  1.00551493  0.45188820
   0.90132969  0.23691195  0.08917559
   0.68434437  1.10967061  0.14814402
   0.45749539  0.09563120  0.64502905
   0.39054494  1.18307872  1.08920549
   0.50710000  1.32489444 -0.05846892
   0.40589816  1.11830395  0.08514157
   0.67088621  0.41914293  0.86912491
   0.55731493  0.65136137  0.60244435
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824357    0.093095   -0.016097
    -0.000000    9.668210    0.263142
    -0.000000    0.000000   14.060302
   Si   O    H 
    32    64    10
Direct configuration=  3280
   0.15931776  0.15825342  0.00107154
   0.37737216  0.10620401  0.38385637
   0.17033545  0.41878963  0.10140049
   0.41924364  0.34375709  0.24514228
   0.08521091  0.16244581  0.48243269
   0.40540883  0.09072909  0.86066514
   0.14610349  0.37778808  0.62056526
   0.38934865  0.38177938  0.76850053
   0.16044903  0.71066185  0.00160314
   0.43244205  0.58210884  0.37699763
   0.12783053  0.94870752  0.14496899
   0.36727793  0.85637532  0.27604973
   0.17367867  0.56866279  0.50148562
   0.37843510  0.65899554  0.83932097
   0.11889325  0.86683503  0.58250246
   0.39341857  0.96815463  0.66726643
   0.63973912  0.12644455  0.98965532
   0.84304128  0.15179139  0.34447601
   0.61092742  0.41201270  0.09124193
   0.87078673  0.33259524  0.17008121
   0.64119879  0.18063205  0.48742471
   0.92016853  0.14468862  0.87745147
   0.63179709  0.43450647  0.63127859
   0.80017536  0.41331319  0.81544544
   0.60419942  0.69755064 -0.00963824
   0.93711616  0.57480503  0.34983477
   0.60085544  0.89372157  0.14181355
   0.87388289  0.86262036  0.24181933
   0.68939473  0.67763069  0.46703622
   0.87363041  0.68131956  0.89705948
   0.68244007  0.92987183  0.60876487
   0.90334410  0.91239523  0.74644775
   0.17523398  0.10861026  0.11469146
   0.37452680  0.18511484  0.28169653
   0.19602786  0.32073919  0.00986092
   0.41903514  0.43419190  0.34015874
   0.55874150  0.32995523  0.18163854
   0.30518501  0.38859606  0.16983732
   0.23760008  0.14767550  0.44269883
  -0.02191300  0.21166070  0.40517966
   0.03607225 -0.01910948  0.50443611
   0.44464778  0.24551131  0.82408273
   0.08981571  0.22270764  0.58787868
   0.36443539  0.48010825  0.85252449
   0.50223937  0.45086494  0.70075299
   0.23585843  0.35478170  0.72538158
   0.27663109  0.10736541 -0.06893685
   0.00908418  0.13596284  0.97341432
   0.17155587  0.57669503  0.07330003
   0.41911424  0.69201397  0.27441734
   0.16445238  0.85778985  0.04806497
   0.35263235  0.94120027  0.36761096
   0.47099731  0.93273269  0.20751713
   0.20706533  0.86356120  0.23221427
   0.31723679  0.63033215  0.45308857
   0.08701008  0.55860095  0.40005239
   0.24991467  0.41133148  0.53087263
   0.34337778  0.72260754  0.74044698
   0.12913017  0.73269936  0.53099105
   0.37232441  0.98620351  0.78303035
   0.53827589  0.87474516  0.65221577
   0.25530966  0.94921555  0.61324910
   0.28158390  0.72131544 -0.07436067
   0.01660817  0.71940122  0.94487249
   0.65474906  0.05369489  0.10013791
   0.84117030  0.18509040  0.23356723
   0.58355061  0.29818873 -0.00012292
   0.87332533  0.44262416  0.29891659
   0.03502932  0.37753067  0.16237356
   0.77321374  0.42659205  0.10087150
   0.71624578  0.22245339  0.38564400
   0.47768767  0.15738410  0.46258720
   0.72157016  0.05760437  0.53650758
   0.87940063  0.27800711  0.82316749
   0.61066117  0.30772966  0.56184475
   0.89087222  0.53330221  0.85840472
   1.05091617  0.50861166  0.61025883
   0.75802150  0.44511993  0.70408541
   0.77057897  0.10647861  0.93408485
   0.52094892  0.04014685  0.94273747
   0.55920816  0.55642662  0.05266799
   0.93195805  0.71286293  0.27704554
   0.55329457  0.82695853  0.04489360
   0.85484878  0.97163664  0.33326050
   0.96152268  0.92786031  0.15324306
   0.72521465  0.85009707  0.19947797
   0.83803560  0.61386556  0.44491653
   0.58661837  0.56247076  0.41260134
   0.64690226  0.61103953  0.58420164
   0.82300446  0.79564589  0.80799362
   0.65017218  0.83127862  0.45149624
   0.98051944  1.03242686  0.80837682
   1.01654746  0.85740498  0.67290594
   0.77056699  0.99641649  0.69533718
   0.76742625  0.70922683  0.98161759
   0.54035676  0.68148604  0.88316319
   0.79490951  0.81927506  0.58120958
   0.94985660  0.99921655  0.45648315
   0.89918891  0.22595997  0.08906760
   0.69236348  1.11476249  0.15378470
   0.46477910  0.09587991  0.64178273
   0.39080233  1.19519036  1.09212954
   0.52362615  1.31675756 -0.05570526
   0.41551037  1.10532789  0.08716499
   0.66510364  0.41405383  0.87071788
   0.55380516  0.64992056  0.60246252
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824994    0.091797   -0.014852
    -0.000000    9.669709    0.264759
    -0.000000    0.000000   14.058243
   Si   O    H 
    32    64    10
Direct configuration=  3281
   0.15855552  0.15687844  0.00177667
   0.37813866  0.10550664  0.38435878
   0.17077733  0.41854770  0.10146352
   0.41860882  0.34349763  0.24472246
   0.08562632  0.16027965  0.48304562
   0.40549358  0.09085213  0.86099254
   0.14645668  0.37830718  0.62192739
   0.38879763  0.38202641  0.76750753
   0.16047990  0.71204013  0.00152092
   0.43231290  0.58163452  0.37663176
   0.12768705  0.94828161  0.14360381
   0.36608052  0.85612657  0.27615530
   0.17270825  0.57072582  0.50148147
   0.37724554  0.65984463  0.83855390
   0.11847588  0.86843555  0.58285517
   0.39395397  0.96915171  0.66877093
   0.63877727  0.12839683  0.98993531
   0.84363614  0.15156157  0.34517571
   0.61206450  0.41457150  0.09192590
   0.87077544  0.33231032  0.17059790
   0.64093388  0.17998237  0.48748122
   0.91878211  0.14556201  0.87562866
   0.63142136  0.43418715  0.63063372
   0.80076938  0.41257776  0.81612107
   0.60586496  0.69704320 -0.00946863
   0.93807128  0.57556610  0.35031051
   0.59930662  0.89309171  0.14185760
   0.87423750  0.86445884  0.24103144
   0.68745785  0.67834062  0.46661728
   0.87345789  0.68235621  0.89682756
   0.68366612  0.92829634  0.60873681
   0.90203845  0.91134673  0.74616710
   0.17346185  0.10834047  0.11561943
   0.37481531  0.18646367  0.28193297
   0.19652137  0.32156536  0.01135257
   0.41900348  0.43456521  0.33939941
   0.55912512  0.32824705  0.18198984
   0.30608319  0.38888611  0.17014252
   0.23742193  0.14695073  0.44191244
  -0.02279746  0.21357806  0.40462683
   0.03590676 -0.01673710  0.50259912
   0.44395779  0.24554945  0.82386088
   0.09010237  0.22254173  0.58647870
   0.36538401  0.48071280  0.85199227
   0.50101650  0.45055466  0.70092586
   0.23908664  0.35391281  0.72578612
   0.27585329  0.10703864 -0.06960480
   0.00885533  0.13312907  0.97333048
   0.17093972  0.57740261  0.07170738
   0.41993250  0.69257864  0.27492171
   0.16411190  0.85900160  0.04880106
   0.35224972  0.93962965  0.36851985
   0.47121493  0.93283213  0.20775008
   0.20677888  0.86480482  0.23103185
   0.31764333  0.63024196  0.45265885
   0.08906599  0.55691888  0.40088216
   0.25006242  0.41155619  0.53030832
   0.34301980  0.72409616  0.73933037
   0.13205446  0.73188299  0.53029856
   0.37338011  0.98714380  0.78268566
   0.53785345  0.87412065  0.65238566
   0.25511107  0.94976749  0.61289145
   0.28267060  0.72063576 -0.07401012
   0.01693269  0.71958327  0.94606856
   0.65415909  0.05573352  0.10093668
   0.84097650  0.18467111  0.23373809
   0.58377419  0.29798793 -0.00184952
   0.87311922  0.44413091  0.29870720
   0.03517622  0.37677037  0.16174919
   0.77349433  0.42655057  0.10170431
   0.71574731  0.22380987  0.38648712
   0.47818982  0.15727290  0.46046145
   0.72398014  0.05864664  0.53692108
   0.88152255  0.27877753  0.82285395
   0.60993894  0.30831366  0.56147075
   0.89057023  0.53268059  0.85854407
   1.05196829  0.50892384  0.61189722
   0.75856460  0.44550057  0.70475911
   0.76969203  0.10722144  0.93283303
   0.52061750  0.04227450  0.94299110
   0.55761238  0.55774511  0.05411963
   0.93026554  0.71307619  0.27751039
   0.55496492  0.82821056  0.04623026
   0.85325710  0.97131528  0.33193043
   0.95982037  0.92794629  0.15431095
   0.72408072  0.85195377  0.19890916
   0.83749611  0.61377079  0.44439338
   0.58471103  0.56473249  0.41238289
   0.64731607  0.61103133  0.58524590
   0.82157121  0.79608071  0.80969105
   0.65098989  0.83040569  0.45169569
   0.98052626  1.03241055  0.80863503
   1.01656950  0.85906139  0.67238141
   0.77208225  0.99696382  0.69617405
   0.76727095  0.70877868  0.98164225
   0.53905900  0.68148127  0.88267012
   0.79517665  0.81993374  0.58763217
   0.96961775  0.98026889  0.46573598
   0.89462732  0.21743450  0.08980796
   0.69856005  1.11684204  0.15436878
   0.46883530  0.09965712  0.64020906
   0.39720648  1.18977199  1.09276820
   0.53379299  1.31154342 -0.05293575
   0.41589891  1.11235769  0.09103576
   0.66553241  0.40994992  0.87004986
   0.55716242  0.65164395  0.60146554
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825977    0.090767   -0.013851
    -0.000000    9.671172    0.265951
    -0.000000    0.000000   14.056276
   Si   O    H 
    32    64    10
Direct configuration=  3282
   0.15824330  0.15583848  0.00266338
   0.37808581  0.10477342  0.38485100
   0.17186437  0.41823722  0.10169710
   0.41787790  0.34259992  0.24465043
   0.08684207  0.15818859  0.48337264
   0.40539532  0.09158358  0.86174406
   0.14698995  0.37868782  0.62327405
   0.38800693  0.38252124  0.76644633
   0.16050258  0.71299867  0.00170870
   0.43167674  0.58176320  0.37631373
   0.12717178  0.94830484  0.14240174
   0.36444214  0.85532280  0.27629850
   0.17197591  0.57227430  0.50170782
   0.37607370  0.66028307  0.83777789
   0.11791224  0.86996073  0.58292917
   0.39486249  0.96990564  0.67041254
   0.63820984  0.12977570  0.99024638
   0.84439080  0.15089522  0.34571103
   0.61406635  0.41713640  0.09263769
   0.87134758  0.33198390  0.17123657
   0.64044114  0.18003863  0.48716662
   0.91757291  0.14518721  0.87431792
   0.63052204  0.43351914  0.62990423
   0.80056866  0.41219186  0.81627765
   0.60729554  0.69617299 -0.00936939
   0.93900985  0.57648182  0.35036384
   0.59727685  0.89187465  0.14155619
   0.87495699  0.86606639  0.24017174
   0.68563986  0.67825508  0.46590655
   0.87333319  0.68387343  0.89599216
   0.68545872  0.92659453  0.60838249
   0.90121677  0.91087306  0.74572666
   0.17220513  0.10762849  0.11685019
   0.37505728  0.18835617  0.28208273
   0.19724702  0.32227654  0.01280329
   0.41871547  0.43509976  0.33807273
   0.55920458  0.32643284  0.18260534
   0.30668569  0.38985927  0.17034768
   0.23709082  0.14601127  0.44182419
  -0.02324398  0.21582681  0.40413620
   0.03901864 -0.01395424  0.50238467
   0.44416884  0.24459870  0.82376803
   0.08970034  0.22262238  0.58534566
   0.36688992  0.48209110  0.85138818
   0.49997781  0.45040985  0.70032427
   0.24207885  0.35336002  0.72529049
   0.27457516  0.10649745 -0.07061415
   0.00887742  0.13056056  0.97332991
   0.17061274  0.57828772  0.07037652
   0.42053458  0.69272093  0.27592669
   0.16373706  0.86107624  0.04916839
   0.35279359  0.93827992  0.36958506
   0.47151355  0.93334787  0.20800339
   0.20522707  0.86615281  0.22971987
   0.31779633  0.63073351  0.45143198
   0.09015328  0.55497099  0.40191082
   0.24976611  0.41182184  0.53013545
   0.34217309  0.72523037  0.73792847
   0.13450944  0.73099387  0.52962471
   0.37417819  0.98699359  0.78215273
   0.53732169  0.87373091  0.65233962
   0.25508401  0.95081336  0.61270274
   0.28361901  0.71957801 -0.07382408
   0.01675557  0.71956619  0.94668773
   0.65365908  0.05765990  0.10174851
   0.84166220  0.18396802  0.23367495
   0.58562811  0.29743305 -0.00257673
   0.87132999  0.44468649  0.29806511
   0.03445377  0.37630049  0.16151554
   0.77425499  0.42649970  0.10282109
   0.71520598  0.22514434  0.38760573
   0.47905527  0.15771809  0.45859130
   0.72587224  0.05990393  0.53759401
   0.88347879  0.27988692  0.82222300
   0.60955104  0.30912658  0.56168455
   0.89018650  0.53169551  0.85908804
   1.05245005  0.51036582  0.61325100
   0.75895600  0.44536646  0.70478281
   0.76875529  0.10758411  0.93110535
   0.51985283  0.04465355  0.94336780
   0.55597832  0.55951088  0.05490625
   0.92827448  0.71295333  0.27790886
   0.55621444  0.82883692  0.04778765
   0.85179332  0.97177319  0.33091708
   0.95819710  0.92820230  0.15505297
   0.72310925  0.85352985  0.19815098
   0.83645404  0.61406205  0.44368489
   0.58420652  0.56781868  0.41232698
   0.64797876  0.61056214  0.58662075
   0.82057948  0.79590060  0.81138490
   0.65168994  0.83077365  0.45246425
   0.98091296  1.03224651  0.80848322
   1.01679073  0.86029727  0.67227552
   0.77411659  0.99774907  0.69718145
   0.76696155  0.70808464  0.98171571
   0.53834761  0.68131451  0.88257183
   0.79320513  0.82057916  0.59363612
   0.94702254  0.95260574  0.44995110
   0.88937699  0.21317042  0.08998152
   0.69969616  1.11371461  0.14686245
   0.47146446  0.09900913  0.63841224
   0.40527543  1.18007407  1.09304688
   0.52720208  1.31710891 -0.06648264
   0.41408880  1.12403005  0.09559289
   0.67660148  0.40419027  0.86902243
   0.56395096  0.65299166  0.60271674
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826740    0.089051   -0.012607
    -0.000000    9.672423    0.267660
    -0.000000    0.000000   14.054233
   Si   O    H 
    32    64    10
Direct configuration=  3283
   0.15789593  0.15510293  0.00390133
   0.37778598  0.10403104  0.38560265
   0.17292888  0.41799772  0.10230924
   0.41701027  0.34138739  0.24471331
   0.08859585  0.15646511  0.48379291
   0.40587451  0.09295611  0.86273494
   0.14828322  0.37849512  0.62430132
   0.38791870  0.38314986  0.76594686
   0.16050454  0.71391375  0.00175551
   0.43075268  0.58241552  0.37562968
   0.12643609  0.94796543  0.14089873
   0.36317363  0.85437298  0.27606547
   0.17145932  0.57357898  0.50176816
   0.37523955  0.65998271  0.83707245
   0.11760658  0.87105959  0.58299061
   0.39599429  0.97026869  0.67176682
   0.63755937  0.13128153  0.99052534
   0.84543481  0.15007427  0.34643309
   0.61568387  0.41949061  0.09337355
   0.87280649  0.33211297  0.17211227
   0.63983791  0.18024437  0.48679311
   0.91669038  0.14364193  0.87320435
   0.62950618  0.43237112  0.62958936
   0.80006230  0.41222296  0.81619012
   0.60847767  0.69545813 -0.00954374
   0.93995607  0.57704597  0.35112105
   0.59423195  0.89130707  0.14139508
   0.87531812  0.86741383  0.23965389
   0.68387879  0.67856981  0.46506191
   0.87306461  0.68486942  0.89555929
   0.68727976  0.92468320  0.60800639
   0.89966108  0.91013591  0.74541930
   0.17151296  0.10720524  0.11754075
   0.37560819  0.19069435  0.28262661
   0.19842542  0.32221986  0.01356723
   0.41845685  0.43496697  0.33636274
   0.55959245  0.32530312  0.18294702
   0.30737438  0.39117434  0.17050290
   0.23588340  0.14480881  0.44213589
  -0.02420100  0.21755200  0.40382237
   0.04129053 -0.01172136  0.50172281
   0.44453589  0.24369321  0.82308470
   0.09016691  0.22333147  0.58500612
   0.36763722  0.48405231  0.85128610
   0.49876334  0.45023691  0.69881054
   0.24405215  0.35250778  0.72478272
   0.27223034  0.10623579 -0.07155464
   0.00876699  0.12914520  0.97321857
   0.17029727  0.57911433  0.06901838
   0.42042956  0.69249436  0.27697524
   0.16396272  0.86310237  0.04978242
   0.35356848  0.93705269  0.37137530
   0.47158325  0.93476638  0.20794489
   0.20400487  0.86798250  0.22900263
   0.31815718  0.63202227  0.45065097
   0.09082914  0.55375893  0.40244769
   0.24930579  0.41287857  0.52973886
   0.34168794  0.72658140  0.73653086
   0.13573356  0.73043877  0.52890281
   0.37439984  0.98761971  0.78215202
   0.53654603  0.87326866  0.65215037
   0.25490657  0.95115536  0.61239206
   0.28349334  0.71862980 -0.07338819
   0.01630076  0.71857544  0.94735163
   0.65271981  0.05924338  0.10235563
   0.84265162  0.18370715  0.23338926
   0.58738363  0.29657889 -0.00349437
   0.86839976  0.44567937  0.29789440
   0.03351383  0.37581050  0.16173018
   0.77557269  0.42625092  0.10357255
   0.71350423  0.22612592  0.38898382
   0.48065071  0.15730059  0.45708418
   0.72657152  0.06057626  0.53810951
   0.88606326  0.28135960  0.82084096
   0.60931334  0.31043846  0.56210938
   0.89029740  0.53064406  0.85968914
   1.05258861  0.51208117  0.61406173
   0.75942824  0.44472842  0.70442255
   0.76824787  0.10785472  0.92973483
   0.51848281  0.04571944  0.94357868
   0.55485159  0.56037827  0.05587898
   0.92657352  0.71315562  0.27822864
   0.55639836  0.82904521  0.04866545
   0.85025244  0.97310789  0.33031075
   0.95770295  0.92834589  0.15603088
   0.72179635  0.85382679  0.19738965
   0.83534829  0.61396405  0.44296081
   0.58334895  0.57142812  0.41230188
   0.64917447  0.60954677  0.58785853
   0.81995822  0.79496356  0.81330272
   0.65121954  0.83169362  0.45333937
   0.98138035  1.03251216  0.80784310
   1.01721266  0.86183286  0.67180737
   0.77578504  0.99797017  0.69851566
   0.76679768  0.70748189  0.98173309
   0.53784358  0.68038441  0.88259109
   0.79070423  0.82048453  0.59856694
   0.93696758  0.92791729  0.43934216
   0.88548147  0.21188947  0.09163498
   0.70461864  1.11063930  0.14275123
   0.47076147  0.10105505  0.63664397
   0.41004458  1.18543008  1.09236862
   0.52542629  1.32422104 -0.07275918
   0.41142357  1.12383710  0.10032247
   0.68558181  0.40158629  0.86580141
   0.56351292  0.66036930  0.60573095
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827570    0.087013   -0.011659
    -0.000000    9.673483    0.268786
    -0.000000    0.000000   14.052280
   Si   O    H 
    32    64    10
Direct configuration=  3284
   0.15801578  0.15527001  0.00532113
   0.37695126  0.10315112  0.38567941
   0.17297734  0.41740225  0.10325173
   0.41561805  0.34036833  0.24457879
   0.09055075  0.15450732  0.48382540
   0.40568623  0.09489090  0.86389256
   0.14963048  0.37751710  0.62515466
   0.38772856  0.38334313  0.76520114
   0.16039686  0.71501901  0.00126964
   0.42956660  0.58359373  0.37497887
   0.12567660  0.94707012  0.13947612
   0.36238369  0.85393028  0.27549816
   0.17165168  0.57392996  0.50184234
   0.37511006  0.65970200  0.83631823
   0.11712403  0.87226568  0.58313802
   0.39763075  0.97027470  0.67291843
   0.63654501  0.13297053  0.99109896
   0.84679163  0.14911259  0.34718238
   0.61708039  0.42195385  0.09396818
   0.87460384  0.33209669  0.17310547
   0.63946406  0.18098025  0.48682417
   0.91523628  0.14222930  0.87318106
   0.62871389  0.43175339  0.62939884
   0.79980884  0.41269393  0.81600881
   0.60906223  0.69417744 -0.00987582
   0.94088559  0.57736300  0.35178154
   0.59207793  0.89128274  0.14191743
   0.87546112  0.86863198  0.23950134
   0.68264017  0.67809701  0.46433729
   0.87305746  0.68612050  0.89501036
   0.68904543  0.92319727  0.60790724
   0.89804751  0.90972377  0.74504037
   0.17143251  0.10685761  0.11797590
   0.37625775  0.19234537  0.28289959
   0.19919479  0.32227710  0.01414894
   0.41844371  0.43427156  0.33473147
   0.56075216  0.32402008  0.18304058
   0.30759358  0.39320365  0.17065284
   0.23487057  0.14368774  0.44261354
  -0.02542823  0.21852494  0.40282665
   0.04238873 -0.01058151  0.50114674
   0.44473213  0.24337202  0.82275128
   0.09029542  0.22373272  0.58493189
   0.36766511  0.48606404  0.85113735
   0.49897032  0.45012183  0.69713095
   0.24510160  0.35250311  0.72373059
   0.27028725  0.10503177 -0.07255435
   0.00860074  0.12788829  0.97277652
   0.16968056  0.57907791  0.06776110
   0.42009563  0.69209466  0.27833353
   0.16459004  0.86469048  0.04979081
   0.35473979  0.93579616  0.37293079
   0.47225078  0.93549571  0.20832145
   0.20327287  0.86990585  0.22848606
   0.31882397  0.63386410  0.45015982
   0.09109208  0.55247505  0.40253397
   0.24848276  0.41389927  0.53010462
   0.34146590  0.72783184  0.73427778
   0.13677392  0.73021454  0.52891343
   0.37489646  0.98898280  0.78286403
   0.53571824  0.87208806  0.65133722
   0.25590843  0.95153313  0.61217259
   0.28269506  0.71842090 -0.07314570
   0.01603509  0.71833695  0.94760407
   0.65060975  0.05953641  0.10206839
   0.84319424  0.18329468  0.23342672
   0.58866498  0.29627178 -0.00482439
   0.86602800  0.44663739  0.29743752
   0.03217526  0.37531585  0.16151893
   0.77688637  0.42640203  0.10398678
   0.71187853  0.22634265  0.39082057
   0.48355870  0.15650347  0.45542723
   0.72703691  0.05995356  0.53881987
   0.88899603  0.28253042  0.81928027
   0.60953116  0.31111863  0.56215413
   0.89033566  0.52908636  0.85968975
   1.05355483  0.51274391  0.61525093
   0.75979217  0.44318103  0.70408745
   0.76787016  0.10849417  0.92863377
   0.51717349  0.04652621  0.94386805
   0.55369236  0.56046995  0.05677370
   0.92508570  0.71389196  0.27816074
   0.55655289  0.82894320  0.04910201
   0.84868200  0.97485055  0.32945061
   0.95730468  0.92891080  0.15617450
   0.72040318  0.85375600  0.19702969
   0.83416607  0.61341215  0.44252090
   0.58275728  0.57481250  0.41250969
   0.64967559  0.60925225  0.58931282
   0.81964642  0.79373293  0.81514716
   0.65049784  0.83233272  0.45401091
   0.98230191  1.03142010  0.80729741
   1.01691161  0.86300458  0.67187041
   0.77708117  0.99742938  0.69985909
   0.76721247  0.70586540  0.98230812
   0.53707513  0.67930916  0.88241484
   0.79433808  0.81320349  0.60139661
   0.93697546  0.91078577  0.43439197
   0.88256372  0.21379710  0.09045629
   0.71664627  1.11596011  0.14730153
   0.46589846  0.10083345  0.63693751
   0.41308387  1.20545599  1.09134533
   0.52349684  1.33083875 -0.07429731
   0.41041241  1.11528323  0.10577872
   0.68177058  0.39829644  0.86876777
   0.56851506  0.66926646  0.60558436
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827961    0.084882   -0.011166
    -0.000000    9.674621    0.269684
    -0.000000    0.000000   14.050716
   Si   O    H 
    32    64    10
Direct configuration=  3285
   0.15805564  0.15575452  0.00602655
   0.37600540  0.10295059  0.38545257
   0.17259928  0.41760585  0.10427583
   0.41436897  0.33930832  0.24440235
   0.09166632  0.15251791  0.48367813
   0.40536636  0.09633099  0.86483792
   0.14992223  0.37635068  0.62625286
   0.38728391  0.38360338  0.76472196
   0.16013032  0.71582043  0.00072125
   0.42825993  0.58556437  0.37417245
   0.12477612  0.94675523  0.13827113
   0.36068455  0.85351943  0.27508694
   0.17187734  0.57284139  0.50190706
   0.37534617  0.66003180  0.83591449
   0.11637719  0.87365950  0.58252172
   0.39924624  0.97090647  0.67372433
   0.63610104  0.13471524  0.99142589
   0.84846188  0.14835707  0.34797580
   0.61869640  0.42392849  0.09431504
   0.87608290  0.33197076  0.17389795
   0.63916211  0.18159798  0.48700338
   0.91361254  0.14079826  0.87363274
   0.62835293  0.43146182  0.63009733
   0.79953445  0.41350834  0.81538266
   0.60942248  0.69330782 -0.01061315
   0.94219977  0.57653381  0.35235699
   0.58996044  0.89134416  0.14259865
   0.87578382  0.86901148  0.23936069
   0.68235421  0.67667035  0.46359034
   0.87317939  0.68718509  0.89417572
   0.69065997  0.92210207  0.60785074
   0.89667932  0.90987692  0.74461647
   0.17062478  0.10704879  0.11876901
   0.37660566  0.19303814  0.28369875
   0.19982942  0.32277909  0.01388783
   0.41841202  0.43268923  0.33311139
   0.56231193  0.32276228  0.18374066
   0.30747972  0.39513855  0.17065643
   0.23485023  0.14252571  0.44302751
  -0.02641349  0.21884008  0.40205168
   0.04268323 -0.00953985  0.50022688
   0.44489496  0.24306349  0.82249309
   0.09089732  0.22447967  0.58505129
   0.36774513  0.48731541  0.85145317
   0.49801923  0.45042479  0.69463390
   0.24415470  0.35212861  0.72203652
   0.26846204  0.10355847 -0.07285290
   0.00770741  0.12743925  0.97261587
   0.16877149  0.57823064  0.06653693
   0.42017759  0.69196195  0.27967993
   0.16444521  0.86512295  0.04973669
   0.35605346  0.93499479  0.37432210
   0.47145378  0.93575761  0.20798219
   0.20315074  0.87140776  0.22792241
   0.31978316  0.63569703  0.44953060
   0.09138369  0.55124181  0.40194648
   0.24706021  0.41516391  0.53087698
   0.34138356  0.72873816  0.73243275
   0.13737235  0.73013003  0.52938555
   0.37492770  0.99023446  0.78375278
   0.53446647  0.87129028  0.64974165
   0.25701457  0.95204132  0.61205539
   0.28191570  0.71757341 -0.07273870
   0.01557908  0.71851107  0.94785032
   0.64889046  0.05999798  0.10198192
   0.84359170  0.18385470  0.23415102
   0.58947503  0.29750821 -0.00606199
   0.86377572  0.44727607  0.29779213
   0.03187930  0.37500399  0.16076381
   0.77818396  0.42687591  0.10409477
   0.71071938  0.22610555  0.39239144
   0.48631589  0.15658808  0.45435453
   0.72788095  0.06010216  0.53885804
   0.89278711  0.28344172  0.81697659
   0.61050719  0.31107248  0.56230914
   0.89001374  0.52705402  0.85937934
   1.05472964  0.51363287  0.61611074
   0.76029489  0.44101089  0.70310573
   0.76707429  0.10945969  0.92721426
   0.51618549  0.04652423  0.94368144
   0.55265785  0.56041721  0.05711887
   0.92361859  0.71441387  0.27847952
   0.55623390  0.82893012  0.04903764
   0.84793057  0.97694197  0.32889916
   0.95764434  0.92955200  0.15567334
   0.71989599  0.85315555  0.19740356
   0.83290631  0.61284247  0.44240572
   0.58213067  0.57746096  0.41261647
   0.64960450  0.60884998  0.59028791
   0.81978632  0.79243967  0.81622728
   0.65013453  0.83280531  0.45463007
   0.98316756  1.02966927  0.80679607
   1.01679478  0.86360886  0.67220495
   0.77788324  0.99676204  0.70117076
   0.76788616  0.70472714  0.98295438
   0.53684258  0.67902238  0.88238957
   0.79670887  0.80330788  0.60532632
   0.93993095  0.90469950  0.43115142
   0.87838096  0.21404149  0.08860407
   0.72266924  1.11348793  0.14942530
   0.46266421  0.10328105  0.63838743
   0.41636770  1.21029581  1.09059778
   0.52532864  1.33303724 -0.06872562
   0.41003112  1.12516705  0.10779397
   0.67374532  0.39840551  0.87365128
   0.57546684  0.67523729  0.60541647
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828432    0.082888   -0.010390
    -0.000000    9.675549    0.270837
    -0.000000    0.000000   14.049510
   Si   O    H 
    32    64    10
Direct configuration=  3286
   0.15907921  0.15661556  0.00651755
   0.37428271  0.10267494  0.38537714
   0.17198348  0.41772539  0.10516374
   0.41314612  0.33772874  0.24434249
   0.09198640  0.15055021  0.48349978
   0.40524557  0.09792485  0.86581404
   0.14964340  0.37534614  0.62757571
   0.38641320  0.38393474  0.76434191
   0.15953160  0.71611773  0.00019256
   0.42666222  0.58731867  0.37300141
   0.12387581  0.94658696  0.13770621
   0.35889110  0.85282280  0.27457960
   0.17222124  0.57175150  0.50254019
   0.37617926  0.66058323  0.83600694
   0.11591576  0.87485306  0.58178069
   0.40141224  0.97157722  0.67427738
   0.63637177  0.13603175  0.99143681
   0.84962493  0.14781173  0.34868933
   0.62060418  0.42541867  0.09464441
   0.87774776  0.33214755  0.17454586
   0.63915339  0.18237724  0.48717481
   0.91253232  0.13890501  0.87406893
   0.62802658  0.43114753  0.63120766
   0.79918087  0.41493602  0.81500475
   0.60916684  0.69284587 -0.01126331
   0.94281450  0.57574729  0.35313956
   0.58805252  0.89244047  0.14337756
   0.87534142  0.86955123  0.23989405
   0.68302795  0.67499914  0.46294486
   0.87401868  0.68814014  0.89357447
   0.69235601  0.92083523  0.60775824
   0.89610459  0.90952733  0.74475751
   0.16919842  0.10631447  0.11902727
   0.37591167  0.19215265  0.28438052
   0.20062065  0.32242058  0.01351882
   0.41898571  0.43200940  0.33118590
   0.56418894  0.32178880  0.18390371
   0.30738169  0.39708269  0.17065980
   0.23638885  0.14202457  0.44306836
  -0.02670986  0.21859190  0.40200653
   0.04287363 -0.00906102  0.49978190
   0.44493582  0.24308089  0.82181789
   0.09167341  0.22545734  0.58559837
   0.36752661  0.48838280  0.85150235
   0.49710196  0.45123467  0.69204241
   0.24277423  0.35231301  0.72016008
   0.26657961  0.10216995 -0.07270004
   0.00744333  0.12793424  0.97200988
   0.16767714  0.57680490  0.06591644
   0.41947754  0.69219980  0.28096748
   0.16423171  0.86516669  0.04893519
   0.35704752  0.93447600  0.37506414
   0.46996653  0.93615859  0.20760285
   0.20471918  0.87344926  0.22736819
   0.32017528  0.63747875  0.44868149
   0.09145895  0.54899713  0.40099059
   0.24620340  0.41580438  0.53137367
   0.34084856  0.72985817  0.73111740
   0.13806300  0.73074502  0.52966505
   0.37593440  0.99167688  0.78459596
   0.53371089  0.87021334  0.64824649
   0.25825562  0.95220866  0.61131850
   0.28139809  0.71708370 -0.07281394
   0.01480792  0.71839805  0.94717752
   0.64745424  0.05997699  0.10238123
   0.84360035  0.18470784  0.23439852
   0.59031572  0.29847314 -0.00735859
   0.86157893  0.44754321  0.29797263
   0.03275033  0.37528231  0.16037585
   0.77961540  0.42679026  0.10442649
   0.71135224  0.22555386  0.39343664
   0.48875172  0.15672485  0.45315240
   0.72809845  0.06103117  0.53855778
   0.89713655  0.28381752  0.81488945
   0.61146291  0.31043007  0.56175911
   0.89039871  0.52597238  0.85900137
   1.05593992  0.51534243  0.61678843
   0.76097440  0.43859552  0.70255244
   0.76643281  0.10956522  0.92635324
   0.51579826  0.04755611  0.94294248
   0.55204985  0.56072926  0.05780684
   0.92115694  0.71494270  0.27835938
   0.55637321  0.82709210  0.04844856
   0.84774795  0.97916338  0.32928706
   0.95788941  0.92990045  0.15505361
   0.71925402  0.85274766  0.19795805
   0.83217234  0.61284611  0.44206682
   0.58177925  0.57906529  0.41212978
   0.64977295  0.60738885  0.59126467
   0.82018637  0.79049407  0.81744291
   0.64940153  0.83385970  0.45446724
   0.98456205  1.02708327  0.80598478
   1.01668315  0.86436682  0.67277870
   0.77752160  0.99566548  0.70206431
   0.76853294  0.70319979  0.98341643
   0.53697239  0.67915224  0.88261637
   0.79658115  0.79592761  0.60933292
   0.94915708  0.90742671  0.43014739
   0.87264767  0.21453712  0.08540499
   0.72311013  1.10616392  0.14735062
   0.45860703  0.10749534  0.63776895
   0.41606386  1.20295025  1.08901195
   0.52936596  1.33402964 -0.05878369
   0.40989377  1.14939389  0.10547513
   0.67080961  0.39800823  0.87473184
   0.57891208  0.67779439  0.60860316
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829127    0.080802   -0.009923
    -0.000000    9.675992    0.271673
    -0.000000    0.000000   14.048285
   Si   O    H 
    32    64    10
Direct configuration=  3287
   0.16054629  0.15751570  0.00687729
   0.37199736  0.10251262  0.38536378
   0.17168493  0.41793411  0.10585052
   0.41302225  0.33711102  0.24452835
   0.09130448  0.14888144  0.48314199
   0.40446596  0.09918388  0.86646997
   0.14957296  0.37383735  0.62871740
   0.38561836  0.38455802  0.76427589
   0.15901570  0.71579440 -0.00024962
   0.42514897  0.58906579  0.37246046
   0.12321106  0.94640133  0.13753478
   0.35671450  0.85220546  0.27443707
   0.17302403  0.56992452  0.50281980
   0.37752418  0.66100815  0.83602334
   0.11569155  0.87596161  0.58147239
   0.40314517  0.97141705  0.67457029
   0.63655215  0.13648113  0.99126511
   0.85023002  0.14654919  0.34933272
   0.62199790  0.42548706  0.09537051
   0.87924440  0.33276184  0.17523393
   0.63892876  0.18310111  0.48772420
   0.91166816  0.13678213  0.87465326
   0.62779771  0.43159491  0.63222771
   0.79821926  0.41495453  0.81437027
   0.60824810  0.69286940 -0.01153079
   0.94352865  0.57495227  0.35427883
   0.58706642  0.89345777  0.14445620
   0.87391408  0.86916918  0.24028053
   0.68362764  0.67407720  0.46253807
   0.87469261  0.68879998  0.89308360
   0.69490020  0.91945923  0.60774702
   0.89619433  0.90927251  0.74465838
   0.16899096  0.10614489  0.11926515
   0.37613489  0.19076588  0.28525517
   0.20053028  0.32228397  0.01290322
   0.41891251  0.43137983  0.32997819
   0.56563591  0.32144385  0.18464597
   0.30678515  0.39810050  0.17051194
   0.23802457  0.14184807  0.44219364
  -0.02623318  0.21781785  0.40214685
   0.04265113 -0.00994221  0.49958136
   0.44508178  0.24335809  0.82106836
   0.09202937  0.22555247  0.58647431
   0.36738182  0.48942624  0.85142588
   0.49574934  0.45204927  0.68964622
   0.24160573  0.35229916  0.71873560
   0.26491202  0.10039310 -0.07248609
   0.00678366  0.12849998  0.97193384
   0.16636639  0.57533112  0.06562718
   0.41926016  0.69214188  0.28186447
   0.16437479  0.86509621  0.04744611
   0.35802843  0.93417438  0.37575705
   0.46767728  0.93665612  0.20766053
   0.20593456  0.87565199  0.22730676
   0.31999097  0.63891934  0.44748761
   0.09074084  0.54824749  0.39995529
   0.24668984  0.41614572  0.53179701
   0.34024921  0.73031787  0.73039748
   0.13826143  0.73188067  0.52918162
   0.37710869  0.99338840  0.78553589
   0.53365295  0.86841691  0.64636430
   0.25912270  0.95289964  0.61069039
   0.28115481  0.71709163 -0.07349296
   0.01354693  0.71763212  0.94618078
   0.64709947  0.06003988  0.10265101
   0.84390736  0.18597410  0.23421014
   0.59083040  0.29921699 -0.00818618
   0.85944057  0.44761043  0.29823273
   0.03385670  0.37577472  0.16006694
   0.78145791  0.42638688  0.10462713
   0.71308157  0.22476300  0.39438818
   0.49137082  0.15665640  0.45219036
   0.72751594  0.06130298  0.53841735
   0.90110637  0.28385385  0.81299927
   0.61246272  0.30914814  0.56093078
   0.89123847  0.52598621  0.85845370
   1.05725391  0.51582861  0.61750851
   0.76122426  0.43613814  0.70169993
   0.76607205  0.10922106  0.92588484
   0.51601457  0.04884691  0.94247915
   0.55079670  0.56136485  0.05829428
   0.91891584  0.71640869  0.27808818
   0.55664609  0.82507114  0.04783251
   0.84838228  0.98116175  0.32907468
   0.95842826  0.93025553  0.15481158
   0.71948630  0.85148570  0.19879666
   0.83247423  0.61223558  0.44153129
   0.58096103  0.58051014  0.41126193
   0.65002227  0.60610110  0.59192921
   0.81995994  0.78894830  0.81761342
   0.64911222  0.83531246  0.45440372
   0.98538943  1.02440931  0.80540810
   1.01647198  0.86573681  0.67386176
   0.77677313  0.99523454  0.70238391
   0.77016556  0.70176985  0.98346050
   0.53734371  0.67954799  0.88269371
   0.79532610  0.79268588  0.61100394
   0.96267056  0.92068066  0.42909915
   0.86352573  0.21232354  0.08250297
   0.72077600  1.09752286  0.14214846
   0.45410306  0.11347121  0.63960908
   0.41875456  1.20585891  1.08273719
   0.53011368  1.33666612 -0.05229157
   0.40921809  1.15809310  0.10429225
   0.67443310  0.40249937  0.86964814
   0.58122081  0.67947314  0.61529743
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830113    0.078503   -0.009770
    -0.000000    9.676005    0.271443
    -0.000000    0.000000   14.047227
   Si   O    H 
    32    64    10
Direct configuration=  3288
   0.16144404  0.15856103  0.00693710
   0.37064267  0.10282068  0.38496793
   0.17118874  0.41891798  0.10650398
   0.41287205  0.33628956  0.24447413
   0.09025314  0.14783227  0.48296145
   0.40271859  0.09988154  0.86733478
   0.14998924  0.37215207  0.62925807
   0.38471581  0.38473528  0.76420959
   0.15833456  0.71563044 -0.00064654
   0.42414395  0.58978526  0.37207238
   0.12269185  0.94708285  0.13766280
   0.35480880  0.85193827  0.27389718
   0.17356040  0.56877269  0.50346581
   0.37895672  0.66094487  0.83557489
   0.11543389  0.87674862  0.58128438
   0.40442260  0.97142050  0.67409596
   0.63706028  0.13718430  0.99059416
   0.85039982  0.14614092  0.34987383
   0.62289189  0.42567491  0.09600826
   0.88066275  0.33353005  0.17582968
   0.63770043  0.18384942  0.48849553
   0.91094972  0.13515779  0.87553486
   0.62824953  0.43213911  0.63332954
   0.79750997  0.41484692  0.81430027
   0.60726143  0.69280469 -0.01170742
   0.94376487  0.57457098  0.35548747
   0.58703589  0.89483512  0.14541189
   0.87257328  0.86865609  0.24065287
   0.68381739  0.67305908  0.46235007
   0.87483044  0.68890958  0.89323244
   0.69714147  0.91804375  0.60747986
   0.89625420  0.90938047  0.74468811
   0.16852642  0.10554485  0.12022533
   0.37567737  0.18915519  0.28656312
   0.20043639  0.32261394  0.01152215
   0.41873822  0.43111856  0.32973088
   0.56689865  0.32152630  0.18562472
   0.30642772  0.39962064  0.16986983
   0.23913843  0.14231682  0.44157935
  -0.02501275  0.21639184  0.40281952
   0.04191204 -0.01098520  0.49907128
   0.44594574  0.24437489  0.82020708
   0.09342459  0.22570423  0.58717724
   0.36672134  0.49121538  0.85117404
   0.49348478  0.45257745  0.68789235
   0.24059547  0.35238057  0.71736016
   0.26319159  0.09886408 -0.07223695
   0.00600838  0.12944923  0.97150874
   0.16441195  0.57460142  0.06608459
   0.41863200  0.69313273  0.28204776
   0.16473624  0.86477872  0.04642433
   0.35860049  0.93451085  0.37600246
   0.46504989  0.93642058  0.20787284
   0.20670383  0.87768794  0.22738551
   0.31926623  0.63980301  0.44633024
   0.09080241  0.54696809  0.39923362
   0.24734916  0.41609562  0.53213136
   0.33926932  0.73098578  0.72984253
   0.13817033  0.73324949  0.52949744
   0.37807071  0.99390851  0.78630458
   0.53337772  0.86678770  0.64433770
   0.26019090  0.95351045  0.61034547
   0.28057665  0.71671280 -0.07475128
   0.01215926  0.71780391  0.94489678
   0.64723410  0.06036910  0.10229734
   0.84411747  0.18675463  0.23375252
   0.59172091  0.30050896 -0.00798147
   0.85774799  0.44810197  0.29869787
   0.03459656  0.37668075  0.16002788
   0.78368900  0.42612262  0.10506262
   0.71578924  0.22445311  0.39439312
   0.49322115  0.15607118  0.45127830
   0.72629098  0.06195785  0.53791938
   0.90484475  0.28352305  0.81164595
   0.61341167  0.30797107  0.56052313
   0.89262993  0.52633280  0.85796169
   1.05835588  0.51539718  0.61880745
   0.76166696  0.43353293  0.70092099
   0.76515735  0.10877897  0.92514427
   0.51646955  0.04968309  0.94277007
   0.54941410  0.56240772  0.05845418
   0.91770588  0.71791299  0.27783807
   0.55678630  0.82354151  0.04695893
   0.84884946  0.98200913  0.32863895
   0.96003948  0.93020311  0.15417467
   0.71984476  0.85064411  0.19992919
   0.83400155  0.61105221  0.44104140
   0.57875605  0.58158332  0.41030772
   0.65025942  0.60530387  0.59225648
   0.82050198  0.78874208  0.81727069
   0.64839730  0.83673967  0.45414737
   0.98582437  1.02147940  0.80516044
   1.01660054  0.86713343  0.67441340
   0.77559332  0.99473963  0.70265784
   0.77043802  0.70033554  0.98378488
   0.53720622  0.68000901  0.88259804
   0.79038879  0.79145971  0.61380013
   0.97943361  0.94025005  0.42980205
   0.85667635  0.21626722  0.08169390
   0.71860182  1.09100439  0.13763938
   0.44953800  0.11536903  0.64390304
   0.41863402  1.22390467  1.07209717
   0.52062042  1.34716523 -0.05554102
   0.40569920  1.15455848  0.10569241
   0.68025988  0.40962786  0.86244760
   0.58563401  0.67606619  0.62102291
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831187    0.076478   -0.009348
    -0.000000    9.675748    0.271181
    -0.000000    0.000000   14.046351
   Si   O    H 
    32    64    10
Direct configuration=  3289
   0.16239754  0.15987205  0.00668742
   0.36996193  0.10307376  0.38486680
   0.17063574  0.42016937  0.10655437
   0.41354215  0.33499695  0.24429315
   0.08925355  0.14732708  0.48285166
   0.40160215  0.10087290  0.86813979
   0.14974566  0.37114007  0.62942498
   0.38372012  0.38454792  0.76410697
   0.15719644  0.71475899 -0.00155742
   0.42351678  0.58978694  0.37150392
   0.12201251  0.94795754  0.13797635
   0.35214522  0.85151286  0.27351250
   0.17410569  0.56841213  0.50402969
   0.38034452  0.66157322  0.83528971
   0.11474400  0.87685379  0.58141894
   0.40526606  0.97095828  0.67360917
   0.63763368  0.13723897  0.98979076
   0.84999780  0.14527730  0.35046685
   0.62346777  0.42573852  0.09713266
   0.88240500  0.33405861  0.17688849
   0.63577909  0.18503704  0.48908617
   0.91062458  0.13325790  0.87632409
   0.62873777  0.43288477  0.63427079
   0.79740802  0.41432850  0.81386555
   0.60656681  0.69235702 -0.01251105
   0.94355231  0.57421217  0.35595413
   0.58688842  0.89636981  0.14607306
   0.87089902  0.86889800  0.24112332
   0.68432730  0.67265738  0.46218682
   0.87490567  0.68855132  0.89406818
   0.69884674  0.91703092  0.60725613
   0.89595942  0.90970704  0.74459303
   0.16778304  0.10479782  0.12113474
   0.37561463  0.18728739  0.28737544
   0.20114763  0.32288776  0.01004058
   0.41850324  0.43227114  0.32985209
   0.56868776  0.32278282  0.18576966
   0.30598818  0.40112789  0.16907961
   0.23999055  0.14195798  0.44115885
  -0.02294556  0.21486408  0.40398056
   0.04106304 -0.01248373  0.49870201
   0.44726497  0.24629376  0.81939564
   0.09475894  0.22567017  0.58760196
   0.36617252  0.49326312  0.85107385
   0.49103563  0.45324418  0.68676340
   0.24054694  0.35221690  0.71686501
   0.26181713  0.09847899 -0.07172521
   0.00516753  0.13006291  0.97108365
   0.16294507  0.57556145  0.06680812
   0.41820189  0.69379746  0.28180754
   0.16526294  0.86428947  0.04571561
   0.35870044  0.93507636  0.37548079
   0.46277182  0.93635343  0.20829723
   0.20737966  0.87872747  0.22641309
   0.31836257  0.64028183  0.44598398
   0.09123171  0.54577025  0.39903318
   0.24808201  0.41592645  0.53197817
   0.33855999  0.73175794  0.72927258
   0.13735619  0.73417637  0.53025388
   0.37922481  0.99404916  0.78673826
   0.53382154  0.86515825  0.64253955
   0.26082897  0.95391752  0.60979268
   0.28089303  0.71664518 -0.07617371
   0.01138168  0.71791700  0.94353003
   0.64726311  0.05992734  0.10122478
   0.84430202  0.18752161  0.23329324
   0.59183803  0.30258842 -0.00768827
   0.85640977  0.44902090  0.29842977
   0.03537046  0.37697918  0.16038688
   0.78523886  0.42637026  0.10457568
   0.71929851  0.22404840  0.39456916
   0.49441753  0.15595671  0.45003159
   0.72522570  0.06146853  0.53783256
   0.90807036  0.28252796  0.81021640
   0.61444399  0.30755011  0.56058138
   0.89391070  0.52727698  0.85758964
   1.05882514  0.51501699  0.62023636
   0.76217979  0.43086341  0.70022199
   0.76447178  0.10881198  0.92452446
   0.51733300  0.05076940  0.94335124
   0.54749645  0.56317159  0.05842649
   0.91727659  0.71960108  0.27867178
   0.55698841  0.82136180  0.04610115
   0.85021369  0.98274501  0.32849523
   0.96126091  0.93023936  0.15299988
   0.72065611  0.84931206  0.20101696
   0.83490372  0.61105902  0.44056893
   0.57700537  0.58211736  0.40952989
   0.65045219  0.60492165  0.59224989
   0.82125098  0.78904127  0.81601688
   0.64772274  0.83782160  0.45363702
   0.98639923  1.01933466  0.80467897
   1.01625211  0.86772960  0.67460089
   0.77371687  0.99532829  0.70250825
   0.77027555  0.69858698  0.98421125
   0.53796045  0.68083130  0.88278883
   0.78819237  0.79156637  0.61760766
   0.99454365  0.96406975  0.43195698
   0.85423829  0.21894292  0.08135700
   0.72793176  1.09315763  0.13879059
   0.44679735  0.11643765  0.64916590
   0.41392125  1.23046951  1.06956618
   0.51501337  1.35559352 -0.06069918
   0.40498158  1.16044069  0.09999785
   0.67261489  0.41757397  0.85991362
   0.59347106  0.67369995  0.62604590
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832528    0.074685   -0.009072
    -0.000000    9.675212    0.270115
    -0.000000    0.000000   14.045109
   Si   O    H 
    32    64    10
Direct configuration=  3290
   0.16304114  0.16062746  0.00663179
   0.36939200  0.10301281  0.38458319
   0.16995144  0.42119838  0.10692226
   0.41379482  0.33382982  0.24370938
   0.08870521  0.14775051  0.48266209
   0.40036446  0.10217119  0.86878168
   0.14893625  0.37065908  0.62892167
   0.38343176  0.38435101  0.76427994
   0.15641041  0.71437276 -0.00231220
   0.42313724  0.58892069  0.37114242
   0.12170801  0.94834428  0.13867172
   0.35002862  0.85076385  0.27358478
   0.17445022  0.56839850  0.50470993
   0.38113566  0.66281400  0.83488072
   0.11464642  0.87642039  0.58169553
   0.40564014  0.97020473  0.67291407
   0.63850762  0.13656180  0.98903889
   0.84947229  0.14498123  0.35090834
   0.62360946  0.42504859  0.09866664
   0.88390770  0.33381797  0.17796540
   0.63418347  0.18687483  0.48986749
   0.91080491  0.13209601  0.87667461
   0.62999895  0.43415834  0.63461819
   0.79739801  0.41411488  0.81338053
   0.60565396  0.69195216 -0.01346527
   0.94302537  0.57364661  0.35602958
   0.58713821  0.89748654  0.14672045
   0.87008302  0.86863996  0.24202686
   0.68465241  0.67346079  0.46208545
   0.87543408  0.68729564  0.89483179
   0.70039236  0.91622095  0.60713889
   0.89630869  0.91026382  0.74448224
   0.16705097  0.10404798  0.12186486
   0.37540072  0.18596669  0.28736186
   0.20151558  0.32283320  0.00886176
   0.41859886  0.43428955  0.32974538
   0.56969364  0.32346169  0.18561790
   0.30508154  0.40236478  0.16809838
   0.23998509  0.14142002  0.44011549
  -0.02062902  0.21264883  0.40584651
   0.03989776 -0.01402400  0.49771592
   0.44873403  0.24870181  0.81854923
   0.09598781  0.22551118  0.58795594
   0.36590663  0.49411477  0.85118253
   0.48823602  0.45342567  0.68568975
   0.24108640  0.35135239  0.71738177
   0.26067769  0.09772304 -0.07138882
   0.00448453  0.13031758  0.97096729
   0.16207666  0.57711018  0.06700140
   0.41817771  0.69385883  0.28144807
   0.16586266  0.86381366  0.04472122
   0.35934409  0.93528627  0.37438202
   0.46039490  0.93557241  0.20848304
   0.20840662  0.88012787  0.22506133
   0.31766113  0.64006074  0.44601978
   0.09191519  0.54495011  0.39875038
   0.24935506  0.41686736  0.53180071
   0.33752472  0.73222979  0.72963387
   0.13633822  0.73461915  0.53150131
   0.38067308  0.99370566  0.78686278
   0.53520209  0.86470517  0.64023951
   0.26104521  0.95408543  0.60900420
   0.28169536  0.71674510 -0.07747218
   0.01086501  0.71817462  0.94248794
   0.64751098  0.05942777  0.10015442
   0.84498275  0.18863914  0.23268342
   0.59119466  0.30510259 -0.00710376
   0.85577608  0.44901967  0.29759894
   0.03648865  0.37717697  0.16153738
   0.78619588  0.42770842  0.10352927
   0.72278186  0.22254715  0.39471016
   0.49507219  0.15474139  0.44846529
   0.72400659  0.06056100  0.53765084
   0.91100892  0.28204437  0.80925874
   0.61549235  0.30724087  0.56009309
   0.89464203  0.52955494  0.85727066
   1.05940861  0.51461387  0.62141783
   0.76295998  0.42838141  0.69957495
   0.76261789  0.10836176  0.92342073
   0.51804596  0.05210078  0.94418692
   0.54636803  0.56382044  0.05828399
   0.91773515  0.72042285  0.27981991
   0.55715247  0.81996562  0.04557089
   0.85125679  0.98318973  0.32835929
   0.96272866  0.93023752  0.15229369
   0.72129181  0.84813937  0.20217521
   0.83584954  0.61084623  0.43991336
   0.57504801  0.58323246  0.40924264
   0.65131288  0.60387178  0.59185357
   0.82174149  0.78911595  0.81408536
   0.64691877  0.83892160  0.45316645
   0.98670886  1.01783264  0.80418768
   1.01639506  0.86716738  0.67463454
   0.77113776  0.99616436  0.70224374
   0.76900825  0.69671125  0.98469779
   0.53840844  0.68153741  0.88277747
   0.78498441  0.79055454  0.61876916
   1.01100385  0.98197732  0.43805523
   0.85285767  0.22140043  0.08330204
   0.73683102  1.09789692  0.14084216
   0.44670691  0.11370961  0.65219970
   0.41317812  1.22872143  1.06831646
   0.52073707  1.35456326 -0.06485121
   0.40537173  1.17161556  0.09446580
   0.66175064  0.42089068  0.86066770
   0.59856344  0.67342898  0.63134992
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833722    0.073015   -0.008401
    -0.000000    9.674912    0.268567
    -0.000000    0.000000   14.044340
   Si   O    H 
    32    64    10
Direct configuration=  3291
   0.16386077  0.16089031  0.00677553
   0.36922327  0.10270777  0.38461162
   0.16937303  0.42168676  0.10724288
   0.41314596  0.33262149  0.24305625
   0.08814611  0.14934436  0.48284115
   0.39934961  0.10325552  0.86928855
   0.14779950  0.37070627  0.62783922
   0.38342658  0.38424029  0.76461629
   0.15556065  0.71404143 -0.00250439
   0.42287507  0.58787888  0.37103081
   0.12126880  0.94870653  0.13951677
   0.34863107  0.84976384  0.27388251
   0.17463093  0.56855377  0.50513351
   0.38196148  0.66405581  0.83450272
   0.11467053  0.87616535  0.58172588
   0.40579359  0.96861826  0.67215804
   0.63912578  0.13557056  0.98821086
   0.84921120  0.14509270  0.35114735
   0.62434715  0.42435979  0.10070215
   0.88502145  0.33359542  0.17877858
   0.63321969  0.18793077  0.49084334
   0.91123224  0.13106253  0.87713655
   0.63046823  0.43561791  0.63483552
   0.79701342  0.41425409  0.81290592
   0.60451132  0.69171801 -0.01437367
   0.94169147  0.57272213  0.35579377
   0.58671470  0.89815350  0.14711201
   0.86843097  0.86860097  0.24295171
   0.68410516  0.67527347  0.46218353
   0.87534652  0.68549763  0.89570660
   0.70198590  0.91564793  0.60732647
   0.89646263  0.91036428  0.74405036
   0.16571658  0.10408737  0.12167113
   0.37514637  0.18448212  0.28668508
   0.20113196  0.32286921  0.00854285
   0.41875497  0.43563554  0.32981825
   0.57041458  0.32450043  0.18667138
   0.30477358  0.40425111  0.16797254
   0.23798402  0.14091507  0.43897190
  -0.01865460  0.21076333  0.40780780
   0.03943359 -0.01504384  0.49807560
   0.45004361  0.25118504  0.81728273
   0.09691567  0.22427570  0.58791695
   0.36609064  0.49484624  0.85177811
   0.48562640  0.45324849  0.68457740
   0.24155554  0.34987353  0.71859079
   0.25914891  0.09675734 -0.07128317
   0.00412812  0.13028057  0.97079545
   0.16096076  0.57811158  0.06751839
   0.41792981  0.69464487  0.28138515
   0.16739993  0.86294107  0.04391225
   0.36025639  0.93574851  0.37265838
   0.45861749  0.93446282  0.20880680
   0.20847335  0.88182908  0.22426876
   0.31702502  0.63983906  0.44632012
   0.09280592  0.54384263  0.39836200
   0.25011814  0.41720880  0.53194123
   0.33582167  0.73154210  0.73020132
   0.13556794  0.73504254  0.53258213
   0.38167584  0.99378887  0.78713651
   0.53647510  0.86478304  0.63812101
   0.26018069  0.95400316  0.60857138
   0.28297561  0.71629330 -0.07854366
   0.01153761  0.71957915  0.94154907
   0.64802554  0.05886700  0.09902756
   0.84554246  0.18977951  0.23250150
   0.59022108  0.30778707 -0.00654371
   0.85516126  0.44980358  0.29691135
   0.03717466  0.37707528  0.16203725
   0.78784594  0.42957908  0.10281303
   0.72533759  0.22104980  0.39447238
   0.49428991  0.15308137  0.44672262
   0.72257543  0.05897724  0.53743679
   0.91316161  0.28132764  0.80868631
   0.61643547  0.30796394  0.56002656
   0.89470652  0.53212624  0.85701379
   1.05976905  0.51392066  0.62233578
   0.76404186  0.42619444  0.69897806
   0.76034577  0.10782415  0.92197217
   0.51935128  0.05342880  0.94462130
   0.54535898  0.56386590  0.05861611
   0.91875384  0.72007017  0.28131839
   0.55770649  0.81943941  0.04543758
   0.85229750  0.98310386  0.32866303
   0.96468716  0.93050338  0.15217682
   0.72075264  0.84657655  0.20350034
   0.83657009  0.61078193  0.43981680
   0.57354832  0.58397105  0.40886918
   0.65269992  0.60283007  0.59190944
   0.82137730  0.78972698  0.81221061
   0.64690731  0.83943436  0.45282704
   0.98669487  1.01707416  0.80385311
   1.01641639  0.86682466  0.67439163
   0.76903614  0.99716773  0.70126399
   0.76738620  0.69503033  0.98481678
   0.53777789  0.68258794  0.88272838
   0.78002655  0.78913548  0.61935484
   1.01727935  0.98767524  0.42209144
   0.85534043  0.22093533  0.08475361
   0.73617160  1.10160656  0.14221240
   0.44690771  0.10920019  0.65379058
   0.41476766  1.23695471  1.06393057
   0.53197580  1.34882137 -0.06461126
   0.40086728  1.17159816  0.09472011
   0.65258530  0.42243246  0.86005755
   0.60286956  0.67394113  0.63566821
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835130    0.071140   -0.008010
    -0.000000    9.674858    0.266938
    -0.000000    0.000000   14.043490
   Si   O    H 
    32    64    10
Direct configuration=  3292
   0.16432514  0.16039779  0.00716148
   0.36956474  0.10271447  0.38465159
   0.16866567  0.42194664  0.10650818
   0.41278828  0.33126028  0.24253235
   0.08797535  0.15146558  0.48351527
   0.39840297  0.10410527  0.86952490
   0.14686568  0.37091803  0.62641577
   0.38368757  0.38449919  0.76507935
   0.15526597  0.71440742 -0.00304179
   0.42277157  0.58686186  0.37111879
   0.12145099  0.94873511  0.14042589
   0.34723345  0.84981408  0.27466411
   0.17497161  0.56937405  0.50606090
   0.38251343  0.66515175  0.83452517
   0.11548774  0.87614219  0.58198070
   0.40523326  0.96695109  0.67138689
   0.63993171  0.13490060  0.98757573
   0.84912935  0.14472101  0.35076255
   0.62459561  0.42343240  0.10247148
   0.88529413  0.33373741  0.17944274
   0.63296737  0.18884622  0.49129099
   0.91196881  0.13099504  0.87738414
   0.63063357  0.43765743  0.63510354
   0.79675590  0.41366857  0.81243095
   0.60362346  0.69105904 -0.01507897
   0.94070455  0.57192176  0.35516317
   0.58576894  0.89833080  0.14699155
   0.86711225  0.86835154  0.24343904
   0.68374571  0.67698156  0.46255080
   0.87505122  0.68337603  0.89616167
   0.70248832  0.91505778  0.60727871
   0.89719156  0.91073354  0.74375367
   0.16432207  0.10402872  0.12161004
   0.37522151  0.18398452  0.28546486
   0.20065093  0.32308539  0.00853342
   0.41839248  0.43684585  0.32944012
   0.57038211  0.32578746  0.18767455
   0.30506807  0.40596854  0.16787682
   0.23577628  0.14034529  0.43761779
  -0.01668967  0.20901160  0.40967693
   0.03904418 -0.01505321  0.49796603
   0.45112631  0.25328458  0.81661310
   0.09837873  0.22120796  0.58800371
   0.36669943  0.49538530  0.85223190
   0.48257354  0.45303634  0.68363447
   0.24203236  0.34768630  0.71991413
   0.25867858  0.09515646 -0.07088744
   0.00437930  0.13010579  0.97094857
   0.15916417  0.57921108  0.06840070
   0.41757629  0.69518838  0.28124948
   0.16870014  0.86289700  0.04319465
   0.36100177  0.93607125  0.37094114
   0.45637166  0.93344645  0.20869211
   0.20770373  0.88242975  0.22393323
   0.31634499  0.63918367  0.44769124
   0.09385990  0.54366957  0.39799574
   0.25174138  0.41799471  0.53211642
   0.33453767  0.73021830  0.73071789
   0.13440607  0.73572817  0.53338120
   0.38365023  0.99328535  0.78680010
   0.53739939  0.86473843  0.63634840
   0.25939150  0.95502928  0.60880572
   0.28431344  0.71618505 -0.07922231
   0.01290337  0.72093763  0.94097983
   0.64935582  0.05869152  0.09802814
   0.84657709  0.19021632  0.23262282
   0.58935292  0.30990239 -0.00631798
   0.85520352  0.45139495  0.29626711
   0.03748348  0.37639986  0.16272152
   0.78916671  0.43130907  0.10238423
   0.72683808  0.22038020  0.39441610
   0.49311831  0.15195457  0.44493280
   0.72140279  0.05691952  0.53730102
   0.91434378  0.28079917  0.80860312
   0.61710601  0.30896508  0.56040177
   0.89506646  0.53457478  0.85726181
   1.06062916  0.51286729  0.62304107
   0.76459460  0.42398744  0.69842076
   0.75853278  0.10696671  0.92066514
   0.52037054  0.05415302  0.94487568
   0.54470591  0.56426760  0.05892600
   0.91948119  0.71914160  0.28239049
   0.55828414  0.82086196  0.04557958
   0.85321593  0.98331232  0.32801595
   0.96601890  0.93138483  0.15201712
   0.72018552  0.84472021  0.20511589
   0.83702278  0.61153747  0.44022951
   0.57300541  0.58516456  0.40883178
   0.65357552  0.60151774  0.59219022
   0.82159939  0.79080117  0.81062962
   0.64706229  0.83865452  0.45299021
   0.98590674  1.01628735  0.80420912
   1.01699647  0.86750371  0.67382847
   0.76645619  0.99783604  0.70100645
   0.76519671  0.69315424  0.98485717
   0.53680077  0.68378907  0.88163979
   0.77545397  0.78459004  0.61952852
   1.02454912  0.98471515  0.41303098
   0.85696770  0.22180253  0.08551308
   0.72665191  1.10658846  0.14138077
   0.44911409  0.10819371  0.65380855
   0.41291751  1.24738273  1.06154946
   0.54230009  1.33928746 -0.05843744
   0.39705444  1.17151777  0.09243639
   0.65099985  0.42040878  0.85664591
   0.61011229  0.67231756  0.63590103
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837005    0.069075   -0.007412
    -0.000000    9.674496    0.265198
    -0.000000    0.000000   14.042638
   Si   O    H 
    32    64    10
Direct configuration=  3293
   0.16421704  0.15908438  0.00755994
   0.36986297  0.10190237  0.38478900
   0.16859293  0.42167445  0.10617712
   0.41261387  0.33020584  0.24183467
   0.08849024  0.15336030  0.48444586
   0.39739017  0.10442576  0.86962078
   0.14560374  0.37159589  0.62517381
   0.38337048  0.38511700  0.76538573
   0.15497507  0.71439696 -0.00393759
   0.42215128  0.58589650  0.37140746
   0.12117444  0.94853983  0.14122920
   0.34558871  0.84968769  0.27510693
   0.17489073  0.56994864  0.50675043
   0.38287928  0.66599375  0.83468786
   0.11680850  0.87653760  0.58233941
   0.40439525  0.96494044  0.67062715
   0.64050670  0.13490394  0.98751789
   0.84965249  0.14457993  0.34992543
   0.62432129  0.42307433  0.10409858
   0.88548252  0.33350605  0.17974757
   0.63320331  0.18897090  0.49128394
   0.91300028  0.13110762  0.87710103
   0.63083595  0.43854731  0.63504976
   0.79658742  0.41339379  0.81173550
   0.60263770  0.69064041 -0.01536408
   0.94004678  0.57156416  0.35448855
   0.58422017  0.89884777  0.14678012
   0.86610744  0.86808729  0.24371610
   0.68361341  0.67850994  0.46270883
   0.87446651  0.68123047  0.89647433
   0.70255001  0.91482476  0.60720650
   0.89709070  0.91107268  0.74371139
   0.16298684  0.10421412  0.12095774
   0.37489804  0.18263839  0.28388195
   0.19913886  0.32397464  0.00861259
   0.41731510  0.43756633  0.32846096
   0.57036645  0.32789412  0.18843269
   0.30520497  0.40739504  0.16752081
   0.23305253  0.13971471  0.43629761
  -0.01548251  0.20796549  0.41066484
   0.03804451 -0.01526183  0.49781380
   0.45185649  0.25345417  0.81560953
   0.10065334  0.21877695  0.58775174
   0.36729417  0.49545520  0.85265498
   0.48015149  0.45190528  0.68245032
   0.24219873  0.34643690  0.72088349
   0.25850988  0.09377787 -0.07023882
   0.00473055  0.13041541  0.97111643
   0.15722819  0.58040670  0.06910035
   0.41716421  0.69564372  0.28084470
   0.17025503  0.86335000  0.04290369
   0.36209421  0.93619296  0.36934353
   0.45481065  0.93253110  0.20822676
   0.20690970  0.88259996  0.22380502
   0.31541875  0.63809963  0.44883015
   0.09488093  0.54306493  0.39749218
   0.25279170  0.41908659  0.53300314
   0.33370049  0.72934322  0.73135280
   0.13268697  0.73624180  0.53356351
   0.38496033  0.99280693  0.78662252
   0.53798580  0.86554592  0.63484286
   0.25848654  0.95521155  0.60868891
   0.28565556  0.71581527 -0.07914996
   0.01530202  0.72216367  0.94125455
   0.65136359  0.05899349  0.09732686
   0.84769227  0.19050889  0.23348718
   0.58873737  0.31138854 -0.00540360
   0.85537753  0.45226746  0.29561686
   0.03830382  0.37649686  0.16363121
   0.79015315  0.43354305  0.10220445
   0.72782934  0.22020937  0.39462432
   0.49141991  0.15174229  0.44352139
   0.72007092  0.05437683  0.53767480
   0.91530853  0.28009704  0.80904571
   0.61768986  0.31008379  0.56118406
   0.89493006  0.53618500  0.85693134
   1.06093483  0.51212032  0.62342016
   0.76589719  0.42223726  0.69782774
   0.75792705  0.10678968  0.91923112
   0.52091110  0.05528807  0.94453907
   0.54490022  0.56419797  0.05859067
   0.92121041  0.71830189  0.28339549
   0.55888498  0.82372987  0.04602529
   0.85405274  0.98332977  0.32706328
   0.96659857  0.93163689  0.15192081
   0.71922634  0.84277124  0.20641600
   0.83693329  0.61322889  0.44090752
   0.57218697  0.58520582  0.40938233
   0.65474836  0.60074931  0.59206426
   0.82225438  0.79221951  0.80810140
   0.64792651  0.83808629  0.45342179
   0.98510736  1.01574627  0.80576215
   1.01750856  0.86771399  0.67282477
   0.76471145  0.99745955  0.70143397
   0.76317477  0.69108082  0.98513013
   0.53658893  0.68489419  0.88002984
   0.77493378  0.78004111  0.61751318
   1.02939224  0.97730883  0.40926479
   0.85880886  0.21973535  0.08608665
   0.71283492  1.10883635  0.13724700
   0.45228267  0.11297840  0.65123442
   0.40554313  1.24093187  1.06366246
   0.54585427  1.33811194 -0.06175180
   0.39406889  1.17916964  0.08527184
   0.65477330  0.41526124  0.85199361
   0.61545757  0.67045946  0.63413608
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838622    0.067201   -0.006921
    -0.000000    9.674616    0.263411
    -0.000000    0.000000   14.041134
   Si   O    H 
    32    64    10
Direct configuration=  3294
   0.16413807  0.15824499  0.00783733
   0.36941279  0.10110581  0.38456012
   0.16865181  0.42175435  0.10544613
   0.41261408  0.32936104  0.24103507
   0.08935444  0.15482667  0.48551768
   0.39653465  0.10489038  0.86979437
   0.14515566  0.37293336  0.62394175
   0.38246031  0.38569219  0.76541072
   0.15525934  0.71432841 -0.00488882
   0.42124228  0.58533059  0.37207039
   0.12068355  0.94818301  0.14170588
   0.34434835  0.84930591  0.27541281
   0.17416570  0.57047173  0.50749005
   0.38296671  0.66634410  0.83423584
   0.11827066  0.87643592  0.58239931
   0.40347754  0.96329013  0.67003120
   0.64087272  0.13518490  0.98782577
   0.85042406  0.14509213  0.34885904
   0.62406288  0.42294905  0.10499681
   0.88541694  0.33354208  0.18002095
   0.63392479  0.18896329  0.49103895
   0.91408438  0.13079202  0.87677426
   0.63100458  0.43957164  0.63551061
   0.79620680  0.41311068  0.81121909
   0.60098198  0.68975057 -0.01552109
   0.93866800  0.57085825  0.35358639
   0.58335458  0.89928431  0.14639651
   0.86533436  0.86770876  0.24434560
   0.68307566  0.67952291  0.46291277
   0.87347243  0.67964799  0.89710915
   0.70179588  0.91519470  0.60661826
   0.89690553  0.91207783  0.74368201
   0.16230785  0.10500685  0.11944268
   0.37394129  0.18085194  0.28226907
   0.19815606  0.32448336  0.00853393
   0.41665797  0.43753102  0.32750843
   0.56965185  0.32886368  0.18918652
   0.30541204  0.40800092  0.16694296
   0.23061888  0.13958462  0.43543867
  -0.01577466  0.20818797  0.41090624
   0.03689721 -0.01548388  0.49790015
   0.45264692  0.25290864  0.81499773
   0.10279548  0.21600187  0.58773766
   0.36792821  0.49525766  0.85289964
   0.47911155  0.45137820  0.68150822
   0.24141647  0.34609709  0.72148323
   0.25870720  0.09251207 -0.06996053
   0.00548875  0.12968854  0.97170480
   0.15501255  0.58149423  0.07015709
   0.41564064  0.69511018  0.28008032
   0.17187688  0.86388816  0.04268865
   0.36234764  0.93665393  0.36826567
   0.45333240  0.93097602  0.20756950
   0.20598514  0.88258926  0.22347348
   0.31457424  0.63716539  0.45022580
   0.09552367  0.54263066  0.39715768
   0.25357537  0.41931649  0.53368637
   0.33316917  0.72851630  0.73254940
   0.13134628  0.73602296  0.53387996
   0.38649914  0.99349319  0.78631327
   0.53899451  0.86662607  0.63312926
   0.25726196  0.95499404  0.60923015
   0.28689032  0.71536005 -0.07807996
   0.01765444  0.72343549  0.94123184
   0.65343641  0.05896819  0.09574345
   0.84888102  0.19061253  0.23479089
   0.58785862  0.31273993 -0.00418224
   0.85671769  0.45244132  0.29438203
   0.03904411  0.37656278  0.16449899
   0.79070419  0.43528791  0.10230284
   0.72805897  0.22007550  0.39560570
   0.49074629  0.15241023  0.44265077
   0.71924598  0.05256227  0.53813972
   0.91646088  0.27928247  0.80953181
   0.61817976  0.31173353  0.56122052
   0.89442887  0.53743964  0.85648069
   1.06120416  0.51168210  0.62361778
   0.76681603  0.42036052  0.69701559
   0.75779212  0.10604321  0.91782699
   0.52056462  0.05697957  0.94428630
   0.54587059  0.56349477  0.05864830
   0.92309334  0.71698964  0.28421736
   0.55974770  0.82649185  0.04682381
   0.85502979  0.98199840  0.32646807
   0.96620375  0.93196618  0.15204505
   0.71743791  0.84083390  0.20733228
   0.83657735  0.61456498  0.44187359
   0.57276756  0.58422007  0.41000957
   0.65577633  0.60053638  0.59137752
   0.82270109  0.79283034  0.80584451
   0.64939054  0.83723728  0.45414171
   0.98370956  1.01490908  0.80759352
   1.01818352  0.86874654  0.67171175
   0.76356360  0.99659110  0.70256098
   0.76168000  0.68885091  0.98491880
   0.53717637  0.68598555  0.87825045
   0.78055021  0.77502586  0.61360383
   1.03386232  0.96875610  0.41067965
   0.86010056  0.21862414  0.08671899
   0.70599486  1.11254681  0.13702807
   0.45614775  0.11425047  0.64944203
   0.40034992  1.24324935  1.06073355
   0.53899377  1.33583501 -0.07401359
   0.38982627  1.17525378  0.08202531
   0.66501335  0.40581191  0.84671000
   0.61831807  0.67343471  0.63132392
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840305    0.065426   -0.006846
    -0.000000    9.674778    0.261483
    -0.000000    0.000000   14.039879
   Si   O    H 
    32    64    10
Direct configuration=  3295
   0.16330144  0.15768730  0.00795319
   0.36927420  0.10019821  0.38443110
   0.16863836  0.42183826  0.10419396
   0.41250199  0.32896330  0.24009029
   0.09011402  0.15645277  0.48641563
   0.39603502  0.10545662  0.86981268
   0.14475792  0.37398832  0.62258614
   0.38152097  0.38677976  0.76547146
   0.15583734  0.71409217 -0.00517701
   0.42062899  0.58460938  0.37282606
   0.12027014  0.94736200  0.14234054
   0.34349774  0.84840911  0.27566198
   0.17291844  0.57171909  0.50790029
   0.38245054  0.66680415  0.83376690
   0.11978588  0.87592617  0.58262787
   0.40261535  0.96141338  0.66955818
   0.64102407  0.13585094  0.98835161
   0.85190934  0.14569441  0.34797068
   0.62403284  0.42352190  0.10527341
   0.88507352  0.33324748  0.18044818
   0.63490583  0.18837983  0.49065098
   0.91559815  0.13071312  0.87635637
   0.63155675  0.43986587  0.63573150
   0.79669998  0.41248415  0.81031627
   0.59911815  0.68892681 -0.01538862
   0.93676300  0.57000837  0.35287268
   0.58291885  0.89976962  0.14609537
   0.86490176  0.86709475  0.24502961
   0.68301654  0.68037282  0.46325477
   0.87244336  0.67959620  0.89757705
   0.70104166  0.91544788  0.60597707
   0.89634199  0.91320762  0.74354938
   0.16172776  0.10592393  0.11798922
   0.37304557  0.17957241  0.28109166
   0.19692664  0.32532351  0.00875461
   0.41608687  0.43600549  0.32692671
   0.56827925  0.32891328  0.19018397
   0.30508976  0.40847154  0.16711631
   0.22791345  0.13966157  0.43390673
  -0.01716843  0.20825983  0.41084493
   0.03612985 -0.01580652  0.49810254
   0.45424921  0.25202896  0.81505221
   0.10455284  0.21414448  0.58794051
   0.36926802  0.49511028  0.85292853
   0.47862023  0.45046977  0.68042186
   0.23971996  0.34544352  0.72173719
   0.25862544  0.09115951 -0.06973891
   0.00644512  0.12899430  0.97196286
   0.15294995  0.58233621  0.07121841
   0.41314487  0.69372827  0.27950381
   0.17362024  0.86427831  0.04270413
   0.36165105  0.93780793  0.36764456
   0.45227301  0.92947559  0.20648523
   0.20470860  0.88300367  0.22374563
   0.31386340  0.63591664  0.45191758
   0.09546296  0.54263560  0.39700177
   0.25365663  0.41905035  0.53433392
   0.33260085  0.72657272  0.73364517
   0.13036247  0.73527154  0.53403816
   0.38802987  0.99415954  0.78615758
   0.53975123  0.86777916  0.63130995
   0.25596372  0.95535283  0.61028988
   0.28879944  0.71449372 -0.07706345
   0.01990680  0.72374046  0.94116248
   0.65514516  0.05864085  0.09449332
   0.85019357  0.19024333  0.23606409
   0.58731353  0.31314558 -0.00306364
   0.85877076  0.45149227  0.29292374
   0.04092364  0.37610012  0.16517334
   0.79101997  0.43704529  0.10262674
   0.72780959  0.22064269  0.39685592
   0.49067641  0.15348530  0.44265724
   0.71766474  0.05183718  0.53828516
   0.91644345  0.27865318  0.81031129
   0.61846063  0.31347283  0.56099557
   0.89405397  0.53780464  0.85552441
   1.06115716  0.51136046  0.62309803
   0.76762891  0.41895430  0.69699811
   0.75830330  0.10554740  0.91586026
   0.51925757  0.05880712  0.94388186
   0.54649594  0.56224810  0.05870128
   0.92487488  0.71684744  0.28448006
   0.56027139  0.82931347  0.04762431
   0.85612891  0.98056458  0.32583648
   0.96403173  0.93219395  0.15274876
   0.71483650  0.83950447  0.20804911
   0.83644712  0.61578356  0.44291987
   0.57414576  0.58258642  0.41093294
   0.65638199  0.59992619  0.59052086
   0.82279122  0.79263474  0.80411411
   0.65146546  0.83585210  0.45536319
   0.98208501  1.01466594  0.80996934
   1.01877336  0.86977651  0.67112160
   0.76347838  0.99517615  0.70325865
   0.76106946  0.68675500  0.98458234
   0.53765875  0.68682574  0.87654061
   0.78947672  0.77485903  0.61052812
   1.03903057  0.95767510  0.41841680
   0.86286485  0.21692609  0.08745308
   0.70224735  1.11762908  0.14055532
   0.45841025  0.11462502  0.64752338
   0.39359814  1.24754870  1.05643293
   0.53339978  1.33500583 -0.08038279
   0.38861290  1.16378203  0.08100415
   0.67228794  0.39984357  0.84647901
   0.61520056  0.67614042  0.62802053
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842032    0.063748   -0.006302
    -0.000000    9.674943    0.259857
    -0.000000    0.000000   14.038828
   Si   O    H 
    32    64    10
Direct configuration=  3296
   0.16232410  0.15747351  0.00824663
   0.36884929  0.09916070  0.38420498
   0.16898462  0.42206606  0.10289480
   0.41232529  0.32944350  0.24011293
   0.09010693  0.15735073  0.48723301
   0.39620650  0.10599007  0.86988812
   0.14495647  0.37464247  0.62177462
   0.38071697  0.38742370  0.76539822
   0.15689966  0.71310105 -0.00536704
   0.41966614  0.58439565  0.37333030
   0.11997086  0.94645606  0.14213344
   0.34342182  0.84772150  0.27600811
   0.17183707  0.57337805  0.50824161
   0.38158220  0.66758498  0.83291473
   0.12124212  0.87510501  0.58258112
   0.40196655  0.95914421  0.66923909
   0.64160358  0.13705719  0.98836072
   0.85365532  0.14680224  0.34728870
   0.62400207  0.42378108  0.10506716
   0.88465949  0.33327424  0.18068940
   0.63574757  0.18787320  0.49048808
   0.91662906  0.13041453  0.87626473
   0.63222320  0.43987328  0.63539996
   0.79824204  0.41196707  0.80909212
   0.59768352  0.68823984 -0.01521537
   0.93457230  0.56922964  0.35216518
   0.58207100  0.89981495  0.14586878
   0.86401729  0.86676257  0.24594601
   0.68303200  0.68103938  0.46367364
   0.87197053  0.67996973  0.89785898
   0.70052351  0.91564181  0.60536212
   0.89592222  0.91425485  0.74311064
   0.16177152  0.10657452  0.11688799
   0.37251288  0.17885748  0.28001583
   0.19518834  0.32612805  0.00842824
   0.41489133  0.43423448  0.32607596
   0.56634856  0.32978150  0.19117064
   0.30493226  0.40830242  0.16735613
   0.22605912  0.13911659  0.43200327
  -0.01861819  0.20731541  0.41032888
   0.03576871 -0.01588520  0.49799004
   0.45567458  0.25025174  0.81525268
   0.10638741  0.21187922  0.58809649
   0.36998627  0.49442541  0.85247646
   0.47866540  0.44908116  0.67965154
   0.23750717  0.34456097  0.72221043
   0.25864437  0.09050229 -0.06969222
   0.00717606  0.12886002  0.97182662
   0.15114713  0.58279432  0.07227080
   0.41055422  0.69300196  0.27857642
   0.17487288  0.86502699  0.04297111
   0.36013301  0.93933708  0.36717209
   0.45207433  0.92816488  0.20460694
   0.20383347  0.88256737  0.22456370
   0.31365622  0.63470860  0.45327259
   0.09520287  0.54225173  0.39654285
   0.25387070  0.41904089  0.53471323
   0.33246740  0.72546124  0.73397603
   0.12938790  0.73349832  0.53369581
   0.38955043  0.99377249  0.78608226
   0.53951625  0.86912080  0.62995570
   0.25503102  0.95513477  0.61122822
   0.29044456  0.71353907 -0.07649016
   0.02099442  0.72488922  0.94113911
   0.65694255  0.05861995  0.09388443
   0.85149149  0.19062779  0.23786523
   0.58718735  0.31342756 -0.00284988
   0.86059062  0.45054181  0.29100873
   0.04260178  0.37511956  0.16555814
   0.79071438  0.43897740  0.10335414
   0.72710208  0.22147804  0.39778339
   0.49068165  0.15476544  0.44316884
   0.71637237  0.05219623  0.53791660
   0.91545608  0.27895246  0.81109937
   0.61858347  0.31588473  0.55983601
   0.89394809  0.53780321  0.85435575
   1.06048893  0.51187437  0.62253953
   0.76888104  0.41742127  0.69679245
   0.75873785  0.10440326  0.91409056
   0.51806682  0.06019749  0.94309613
   0.54717147  0.56064853  0.05882698
   0.92642761  0.71704415  0.28468101
   0.56039707  0.83136282  0.04807004
   0.85686377  0.97904356  0.32562809
   0.96070266  0.93164095  0.15341283
   0.71216643  0.83782679  0.20903560
   0.83481258  0.61697439  0.44418873
   0.57588471  0.58060587  0.41211556
   0.65704300  0.59956183  0.58962715
   0.82301009  0.79085257  0.80293352
   0.65394254  0.83500714  0.45592412
   0.98040665  1.01483212  0.81236511
   1.01840463  0.87127588  0.67123543
   0.76288197  0.99371077  0.70408681
   0.76066320  0.68482917  0.98408020
   0.53842979  0.68770158  0.87468059
   0.79348372  0.78112056  0.60724790
   1.04175737  0.94750065  0.43205623
   0.86560606  0.21712953  0.08825465
   0.69656931  1.11910287  0.14200562
   0.45813122  0.11139456  0.64419070
   0.39048902  1.23632710  1.05656426
   0.53073425  1.33327417 -0.07745160
   0.38884776  1.16483961  0.07586390
   0.67102911  0.39378683  0.85122053
   0.61075491  0.67829923  0.62764190
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843520    0.062403   -0.005481
    -0.000000    9.674705    0.258287
    -0.000000    0.000000   14.037772
   Si   O    H 
    32    64    10
Direct configuration=  3297
   0.16079410  0.15735179  0.00828931
   0.36851927  0.09924054  0.38398154
   0.16947266  0.42216479  0.10171692
   0.41191483  0.33045916  0.24003215
   0.09036811  0.15817506  0.48800692
   0.39612063  0.10611152  0.86952671
   0.14558359  0.37565402  0.62060243
   0.37949033  0.38849858  0.76524078
   0.15856293  0.71261149 -0.00574789
   0.41911510  0.58427764  0.37372746
   0.11940607  0.94563067  0.14196246
   0.34309124  0.84719069  0.27621035
   0.17125940  0.57472977  0.50904491
   0.38074225  0.66817426  0.83266568
   0.12289177  0.87369549  0.58262340
   0.40124212  0.95749028  0.66943974
   0.64203659  0.13819582  0.98846279
   0.85477563  0.14791486  0.34726505
   0.62450452  0.42444289  0.10478007
   0.88498828  0.33372003  0.18099694
   0.63634607  0.18763953  0.49038502
   0.91801810  0.13035115  0.87590167
   0.63309195  0.43958452  0.63504043
   0.80057551  0.41099311  0.80800189
   0.59572378  0.68789303 -0.01457089
   0.93228399  0.56857063  0.35103575
   0.58164923  0.89991663  0.14591864
   0.86390359  0.86587916  0.24657538
   0.68250939  0.68204475  0.46422875
   0.87226994  0.68099965  0.89785357
   0.69959584  0.91596836  0.60503028
   0.89589260  0.91479027  0.74233673
   0.16250062  0.10709990  0.11556830
   0.37186249  0.17820144  0.27905272
   0.19372836  0.32731440  0.00815422
   0.41327965  0.43254882  0.32580777
   0.56410059  0.33001285  0.19169493
   0.30412567  0.40760723  0.16726151
   0.22484633  0.13931050  0.43042255
  -0.02017776  0.20623826  0.40953686
   0.03501855 -0.01585289  0.49772722
   0.45595161  0.24929875  0.81565419
   0.10816826  0.21075615  0.58868729
   0.37102863  0.49356948  0.85239399
   0.47832271  0.44753879  0.67917769
   0.23566851  0.34352420  0.72287527
   0.25998480  0.08957539 -0.06923598
   0.00788775  0.12936675  0.97188116
   0.14997942  0.58272527  0.07338095
   0.40772935  0.69155556  0.27794264
   0.17615024  0.86512441  0.04371519
   0.35830387  0.94069857  0.36686744
   0.45200398  0.92665683  0.20278429
   0.20324593  0.88191753  0.22580624
   0.31385390  0.63328316  0.45460765
   0.09497791  0.54167526  0.39633418
   0.25323655  0.41901060  0.53488962
   0.33240753  0.72510920  0.73414908
   0.12903937  0.73183103  0.53343162
   0.39081582  0.99265481  0.78654893
   0.53986505  0.87122274  0.62895657
   0.25584868  0.95467648  0.61203150
   0.29218884  0.71261223 -0.07638250
   0.02159979  0.72618389  0.94072942
   0.65786540  0.05831903  0.09362853
   0.85248034  0.19078693  0.23926553
   0.58727172  0.31341063 -0.00299239
   0.86337650  0.44987276  0.28937880
   0.04410446  0.37499209  0.16568900
   0.79101251  0.44119045  0.10508405
   0.72699806  0.22142494  0.39891042
   0.49140565  0.15554334  0.44424381
   0.71503335  0.05310618  0.53731978
   0.91387958  0.27869776  0.81197038
   0.61885048  0.31783402  0.55887024
   0.89383698  0.53763141  0.85374979
   1.06003798  0.51310741  0.62164852
   0.76889484  0.41677517  0.69626872
   0.75860675  0.10395915  0.91284142
   0.51752764  0.06147751  0.94166050
   0.54789427  0.55929475  0.05872321
   0.92721392  0.71727677  0.28520842
   0.56081503  0.83215842  0.04761547
   0.85738264  0.97732841  0.32623670
   0.95799688  0.93166443  0.15394489
   0.70886076  0.83614428  0.20976445
   0.83414216  0.61796241  0.44555688
   0.57672702  0.57908465  0.41333960
   0.65773470  0.59926332  0.58814711
   0.82353621  0.78898493  0.80126092
   0.65563757  0.83493639  0.45668643
   0.97869630  1.01494555  0.81455103
   1.01812378  0.87233335  0.67128321
   0.76242426  0.99203156  0.70448725
   0.76069647  0.68276663  0.98379569
   0.54054759  0.68902954  0.87295265
   0.79664441  0.79260008  0.60315398
   1.04472778  0.94131195  0.44654659
   0.86898568  0.21884874  0.09119900
   0.69318255  1.12024046  0.14083947
   0.45212749  0.10619320  0.63879704
   0.38877892  1.22977269  1.05625104
   0.53418810  1.32830600 -0.06761850
   0.39003585  1.16071119  0.07101331
   0.66481689  0.38735865  0.85761842
   0.60840538  0.67707234  0.62524744
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845188    0.060886   -0.004034
    -0.000000    9.673960    0.257069
    -0.000000    0.000000   14.036646
   Si   O    H 
    32    64    10
Direct configuration=  3298
   0.15987904  0.15838571  0.00790132
   0.36774991  0.09970532  0.38351964
   0.16978783  0.42245552  0.10037524
   0.41124284  0.33189635  0.24007822
   0.09053331  0.15858919  0.48829479
   0.39607029  0.10580584  0.86917020
   0.14676335  0.37591306  0.62000454
   0.37836180  0.38959203  0.76535453
   0.16046013  0.71199235 -0.00619398
   0.41914503  0.58476520  0.37398269
   0.11875114  0.94448482  0.14143891
   0.34283061  0.84734370  0.27652784
   0.17071295  0.57555816  0.51003073
   0.38048525  0.66818096  0.83251188
   0.12341031  0.87281004  0.58274036
   0.40065995  0.95614653  0.66961339
   0.64224480  0.13916440  0.98825425
   0.85561751  0.14859472  0.34739065
   0.62468825  0.42511575  0.10428030
   0.88451252  0.33434840  0.18090831
   0.63670675  0.18687166  0.49022257
   0.91887893  0.13120251  0.87556839
   0.63419812  0.43856707  0.63476357
   0.80307972  0.41045396  0.80702887
   0.59398962  0.68773029 -0.01375414
   0.93028048  0.56800789  0.35060396
   0.58199395  0.89972237  0.14574584
   0.86344718  0.86505287  0.24748404
   0.68178221  0.68254722  0.46450037
   0.87269733  0.68269369  0.89827979
   0.69881517  0.91666178  0.60474089
   0.89543679  0.91550873  0.74187511
   0.16376411  0.10811536  0.11443373
   0.37189197  0.17768918  0.27840305
   0.19265108  0.32808910  0.00833746
   0.41256719  0.43171263  0.32514306
   0.56202362  0.33030306  0.19219247
   0.30301053  0.40637360  0.16747345
   0.22329624  0.14019619  0.42892149
  -0.02215254  0.20462894  0.40848462
   0.03519172 -0.01435064  0.49928801
   0.45564978  0.24890228  0.81624213
   0.10973914  0.21042108  0.59000574
   0.37214781  0.49372209  0.85268303
   0.47829926  0.44559447  0.67938530
   0.23316481  0.34276081  0.72365062
   0.26145387  0.08886383 -0.06822012
   0.00839516  0.13078610  0.97177651
   0.14986756  0.58215554  0.07418483
   0.40524163  0.68951786  0.27736292
   0.17764654  0.86455775  0.04462554
   0.35604346  0.94094639  0.36744769
   0.45158529  0.92493379  0.20101411
   0.20302965  0.88028974  0.22732967
   0.31508667  0.63233248  0.45574219
   0.09423779  0.54142611  0.39551847
   0.25224605  0.41928709  0.53482986
   0.33283506  0.72543047  0.73413045
   0.12777444  0.73111260  0.53324135
   0.39227840  0.99134368  0.78653018
   0.53943600  0.87307547  0.62794743
   0.25668688  0.95406143  0.61311467
   0.29358149  0.71104918 -0.07637941
   0.02124641  0.72773859  0.93983019
   0.65849378  0.05725701  0.09406070
   0.85305021  0.19089533  0.24066445
   0.58820138  0.31390891 -0.00380640
   0.86570402  0.44891964  0.28808511
   0.04517713  0.37450466  0.16622673
   0.79027930  0.44349532  0.10674909
   0.72755330  0.22194965  0.39958393
   0.49177225  0.15687801  0.44556386
   0.71354375  0.05474561  0.53665933
   0.91285452  0.27951778  0.81331656
   0.61943478  0.31989754  0.55858489
   0.89362755  0.53627832  0.85278091
   1.05949752  0.51472183  0.62063132
   0.76825358  0.41687346  0.69611856
   0.75842723  0.10394748  0.91152883
   0.51740044  0.06241181  0.94031684
   0.54814135  0.55870511  0.05833302
   0.92812283  0.71784929  0.28572514
   0.56192975  0.83245783  0.04652989
   0.85866019  0.97492348  0.32720897
   0.95588956  0.93159462  0.15512590
   0.70536308  0.83475578  0.20997008
   0.83380497  0.61843114  0.44701284
   0.57712614  0.57782036  0.41420170
   0.65852012  0.59963765  0.58660740
   0.82380794  0.78674023  0.79976311
   0.65769612  0.83590240  0.45760684
   0.97676871  1.01412514  0.81608361
   1.01750299  0.87398777  0.67154011
   0.76250508  0.99127588  0.70455469
   0.76015570  0.68109668  0.98369093
   0.54195144  0.68957382  0.87145876
   0.80209886  0.80389680  0.60209499
   1.05306170  0.91506629  0.43102938
   0.86771612  0.22174189  0.09312372
   0.69236370  1.12009906  0.14207473
   0.44648735  0.10021476  0.63411399
   0.38705162  1.23057901  1.05444347
   0.53756512  1.32390117 -0.05634214
   0.39299227  1.14844426  0.06850131
   0.66308583  0.38397498  0.86335330
   0.60859574  0.67274038  0.62071441
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.846921    0.059817   -0.002657
    -0.000000    9.673136    0.256155
    -0.000000    0.000000   14.035445
   Si   O    H 
    32    64    10
Direct configuration=  3299
   0.15899503  0.15923967  0.00744208
   0.36645565  0.10028670  0.38307011
   0.17018751  0.42288344  0.09934484
   0.41011625  0.33297541  0.24015906
   0.09048521  0.15903691  0.48819862
   0.39631106  0.10510511  0.86852049
   0.14850791  0.37558080  0.61944828
   0.37758487  0.39140177  0.76535614
   0.16227242  0.71143865 -0.00648737
   0.41866362  0.58528070  0.37425847
   0.11842864  0.94317227  0.14092540
   0.34204406  0.84679790  0.27679515
   0.17032833  0.57540842  0.51026981
   0.38015221  0.66786624  0.83239188
   0.12308429  0.87246321  0.58272036
   0.40082724  0.95522378  0.66949281
   0.64191979  0.14028345  0.98789353
   0.85662010  0.14815029  0.34809205
   0.62556611  0.42546264  0.10370084
   0.88526710  0.33480957  0.18082358
   0.63633787  0.18632901  0.48973625
   0.91915032  0.13203400  0.87526672
   0.63527978  0.43734599  0.63461102
   0.80541927  0.40888054  0.80638976
   0.59236004  0.68813180 -0.01272477
   0.92851227  0.56755984  0.35051946
   0.58258429  0.89995744  0.14532775
   0.86302890  0.86385979  0.24850498
   0.68056964  0.68334051  0.46442042
   0.87320780  0.68358156  0.89809779
   0.69814582  0.91780518  0.60455675
   0.89522684  0.91648385  0.74171809
   0.16501345  0.10854845  0.11403714
   0.37141616  0.17791596  0.27798196
   0.19197555  0.32838390  0.00838220
   0.41142372  0.43138853  0.32476614
   0.56051476  0.33135198  0.19239807
   0.30261123  0.40489944  0.16773458
   0.22158955  0.14104683  0.42765437
  -0.02328241  0.20380219  0.40743488
   0.03475628 -0.01344541  0.50056350
   0.45503513  0.24864604  0.81677513
   0.11131221  0.20956442  0.59148860
   0.37368194  0.49385297  0.85241242
   0.47777372  0.44376464  0.67966539
   0.23093063  0.34286611  0.72386234
   0.26307279  0.08837780 -0.06741262
   0.00834421  0.13243475  0.97155515
   0.14979217  0.58190135  0.07454666
   0.40245131  0.68808823  0.27719545
   0.17797373  0.86300711  0.04636621
   0.35421689  0.93989120  0.36826756
   0.45074152  0.92379821  0.19922551
   0.20311333  0.87880351  0.22895872
   0.31585093  0.63180302  0.45686791
   0.09185169  0.54127296  0.39502035
   0.25097903  0.41993872  0.53504860
   0.33339097  0.72606846  0.73334137
   0.12658965  0.73009403  0.53356882
   0.39334631  0.98944870  0.78686951
   0.53866615  0.87497181  0.62774780
   0.25819644  0.95375898  0.61433149
   0.29473736  0.71044745 -0.07628900
   0.02005791  0.72865509  0.93895358
   0.65938059  0.05689780  0.09507850
   0.85367995  0.19150220  0.24158673
   0.59023275  0.31408359 -0.00377555
   0.86721508  0.44822296  0.28672504
   0.04531053  0.37447368  0.16735397
   0.78901770  0.44527224  0.10840343
   0.72838431  0.22286841  0.39998907
   0.49150139  0.15728218  0.44692915
   0.71195456  0.05592454  0.53675735
   0.91129053  0.28019571  0.81473848
   0.62054600  0.32155669  0.55764567
   0.89267412  0.53423434  0.85093391
   1.05856924  0.51601388  0.61979378
   0.76716256  0.41756063  0.69530578
   0.75827264  0.10343676  0.91063319
   0.51791551  0.06366259  0.93937314
   0.54787779  0.55862397  0.05809658
   0.92896159  0.71866759  0.28573601
   0.56352665  0.83223589  0.04515003
   0.85955608  0.97359272  0.32831780
   0.95394460  0.93118829  0.15620837
   0.70237108  0.83351282  0.20988088
   0.83352927  0.61845085  0.44823827
   0.57696851  0.57714638  0.41444706
   0.65866871  0.59989164  0.58506243
   0.82391405  0.78452463  0.79903975
   0.65928510  0.83785545  0.45834583
   0.97525042  1.01280728  0.81791178
   1.01676052  0.87459841  0.67140996
   0.76209223  0.99066576  0.70449434
   0.76020983  0.68021403  0.98300836
   0.54301307  0.69017996  0.87038274
   0.80703422  0.81281688  0.60007796
   1.05853621  0.89399846  0.42242727
   0.87074698  0.22442147  0.09412479
   0.69346423  1.11575373  0.14537902
   0.44067413  0.09645516  0.62764510
   0.38873937  1.22122835  1.05532530
   0.53060141  1.32609990 -0.05795205
   0.39341897  1.14405944  0.06810377
   0.67016621  0.38277577  0.86457639
   0.60582307  0.66902235  0.61704336
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848246    0.058622   -0.001212
    -0.000000    9.672275    0.255274
    -0.000000    0.000000   14.034491
   Si   O    H 
    32    64    10
Direct configuration=  3300
   0.15813373  0.16020862  0.00675726
   0.36522201  0.10102087  0.38307758
   0.17087618  0.42284055  0.09843168
   0.40869031  0.33407491  0.24028033
   0.09058807  0.15932084  0.48729301
   0.39601409  0.10426130  0.86736773
   0.15045594  0.37560659  0.61979163
   0.37714798  0.39320338  0.76556374
   0.16393479  0.71067418 -0.00649551
   0.41816007  0.58536365  0.37452695
   0.11799025  0.94206871  0.14056070
   0.34179114  0.84637865  0.27695920
   0.16983020  0.57548536  0.51031636
   0.37986401  0.66714684  0.83205548
   0.12338377  0.87262428  0.58289912
   0.40080877  0.95329358  0.66953678
   0.64179509  0.14080517  0.98722142
   0.85755196  0.14800188  0.34898858
   0.62588524  0.42619571  0.10304783
   0.88563567  0.33531871  0.18037232
   0.63633723  0.18573835  0.48892095
   0.91892059  0.13290338  0.87504864
   0.63544465  0.43627327  0.63425455
   0.80749656  0.40666841  0.80634941
   0.59118658  0.68839823 -0.01220549
   0.92696697  0.56756285  0.35055749
   0.58346942  0.90015013  0.14477456
   0.86304582  0.86315851  0.24951700
   0.67974266  0.68357624  0.46431626
   0.87347718  0.68411243  0.89787981
   0.69655969  0.91804437  0.60401641
   0.89551566  0.91707416  0.74225249
   0.16577257  0.10901618  0.11399596
   0.37134215  0.17792473  0.27702647
   0.19120379  0.32872426  0.00848760
   0.40995110  0.43165940  0.32485661
   0.56018686  0.33265705  0.19202932
   0.30296286  0.40377027  0.16798785
   0.22028322  0.14127366  0.42661540
  -0.02409879  0.20327050  0.40755422
   0.03485460 -0.01389352  0.50147441
   0.45517047  0.24910262  0.81705532
   0.11128858  0.20843279  0.59306248
   0.37452523  0.49405443  0.85177243
   0.47725661  0.44213626  0.67989791
   0.22822232  0.34292705  0.72354151
   0.26463364  0.08788336 -0.06671548
   0.00787744  0.13416730  0.97169196
   0.14977357  0.58206771  0.07438711
   0.39963068  0.68739627  0.27705365
   0.17839797  0.86149531  0.04827874
   0.35316373  0.93868469  0.36913282
   0.44988428  0.92318613  0.19820172
   0.20231278  0.87842564  0.23046834
   0.31645276  0.63093757  0.45829176
   0.08934559  0.54100710  0.39433737
   0.24963931  0.42076058  0.53525344
   0.33469139  0.72670892  0.73236585
   0.12555203  0.72905343  0.53339042
   0.39456445  0.98724372  0.78811118
   0.53721178  0.87601642  0.62759972
   0.25847250  0.95342890  0.61536944
   0.29520425  0.70989851 -0.07550772
   0.01932501  0.72861703  0.93765358
   0.65987429  0.05639995  0.09673305
   0.85401418  0.19241960  0.24211568
   0.59277195  0.31440993 -0.00327792
   0.86764477  0.44691989  0.28534940
   0.04480846  0.37434243  0.16930253
   0.78768562  0.44815409  0.10964399
   0.72877674  0.22506789  0.40038714
   0.49036248  0.15739071  0.44834633
   0.71134236  0.05719978  0.53692118
   0.91041474  0.27992588  0.81634105
   0.62192639  0.32261139  0.55633779
   0.89161289  0.53208574  0.84953132
   1.05840084  0.51767489  0.61903971
   0.76667916  0.41773753  0.69509814
   0.75777506  0.10281894  0.90970846
   0.51838491  0.06362861  0.93869647
   0.54748078  0.55914129  0.05767958
   0.93011627  0.71959820  0.28582777
   0.56499574  0.83126600  0.04424244
   0.86057787  0.97337575  0.33003364
   0.95164909  0.93026934  0.15718760
   0.69958192  0.83284287  0.20948455
   0.83334039  0.61847318  0.44880559
   0.57554050  0.57590948  0.41412347
   0.65853000  0.60017070  0.58352696
   0.82508845  0.78192202  0.79905054
   0.66077301  0.83946923  0.45873082
   0.97413729  1.01097412  0.81983268
   1.01605835  0.87476906  0.67154894
   0.76134120  0.99050593  0.70349889
   0.76016848  0.67982821  0.98266786
   0.54480821  0.68994763  0.86981778
   0.81089474  0.81940372  0.59957515
   1.05577535  0.88910947  0.42128706
   0.87172017  0.22830222  0.09637983
   0.69650488  1.11540524  0.14857106
   0.43627080  0.09158737  0.62511182
   0.39136530  1.21037551  1.05896432
   0.51973438  1.33349799 -0.06186601
   0.39384857  1.13903256  0.06810281
   0.68204521  0.38164730  0.86324618
   0.59825112  0.66825390  0.61505548
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.849201    0.057206   -0.000446
    -0.000000    9.671129    0.254170
    -0.000000    0.000000   14.033717
   Si   O    H 
    32    64    10
Direct configuration=  3301
   0.15757747  0.16134765  0.00595819
   0.36416137  0.10173392  0.38344053
   0.17159361  0.42208815  0.09776711
   0.40754840  0.33527056  0.24008725
   0.09042268  0.16010700  0.48625186
   0.39565824  0.10338015  0.86633689
   0.15202305  0.37557319  0.62079161
   0.37688953  0.39472645  0.76527866
   0.16502410  0.70959106 -0.00618595
   0.41813556  0.58490290  0.37434961
   0.11835547  0.94105037  0.13983423
   0.34249466  0.84610830  0.27667409
   0.16930146  0.57520849  0.51008014
   0.38001353  0.66689114  0.83166208
   0.12308327  0.87263866  0.58310467
   0.40131731  0.95159349  0.66952003
   0.64100053  0.14136777  0.98623511
   0.85821507  0.14705555  0.34997088
   0.62647071  0.42675270  0.10265653
   0.88619372  0.33590781  0.18006319
   0.63572712  0.18506622  0.48839578
   0.91771265  0.13467110  0.87550295
   0.63549194  0.43519417  0.63370195
   0.80923934  0.40471672  0.80642826
   0.59012426  0.68876512 -0.01209978
   0.92537783  0.56708445  0.35004366
   0.58524169  0.90048270  0.14398409
   0.86277087  0.86238140  0.25005460
   0.67857952  0.68309969  0.46433359
   0.87349480  0.68481703  0.89787216
   0.69497435  0.91858804  0.60295880
   0.89495630  0.91718220  0.74300700
   0.16639272  0.10843740  0.11409615
   0.37105971  0.17851201  0.27587290
   0.19076433  0.32891394  0.00831416
   0.40861337  0.43229301  0.32558275
   0.55991323  0.33449490  0.19111987
   0.30263446  0.40205853  0.16771166
   0.21904012  0.14187062  0.42519068
  -0.02405555  0.20278954  0.40832449
   0.03508098 -0.01522247  0.50153245
   0.45486674  0.24996222  0.81747547
   0.11149268  0.20767292  0.59456040
   0.37516484  0.49395147  0.85122038
   0.47817676  0.44062527  0.68020895
   0.22556246  0.34328079  0.72281905
   0.26575774  0.08848755 -0.06597387
   0.00697728  0.13547143  0.97168732
   0.15023852  0.58317840  0.07438986
   0.39710133  0.68709948  0.27700186
   0.17884626  0.85910749  0.04938035
   0.35232393  0.93673524  0.37064096
   0.44881716  0.92307653  0.19810869
   0.20003074  0.87871485  0.23219444
   0.31733623  0.63017503  0.45944514
   0.08643789  0.54048835  0.39388211
   0.24937300  0.42138808  0.53507245
   0.33531661  0.72741052  0.73133013
   0.12454988  0.72833848  0.53357138
   0.39535679  0.98506760  0.78897252
   0.53558948  0.87630346  0.62709497
   0.25822564  0.95342984  0.61593008
   0.29497461  0.71069422 -0.07434964
   0.01922286  0.72887781  0.93676678
   0.65963456  0.05564449  0.09856397
   0.85364046  0.19304441  0.24235160
   0.59401282  0.31415439 -0.00321176
   0.86757542  0.44584268  0.28469906
   0.04431843  0.37517697  0.17017794
   0.78685174  0.45006033  0.11079031
   0.72908605  0.22665507  0.40036750
   0.48804789  0.15725107  0.44985432
   0.71114690  0.05859636  0.53699651
   0.90991495  0.27917060  0.81764508
   0.62282142  0.32313062  0.55503522
   0.89057954  0.53002996  0.84820403
   1.05939055  0.51867569  0.61813864
   0.76619175  0.41760317  0.69571450
   0.75824304  0.10270993  0.90883871
   0.51911818  0.06327539  0.93805640
   0.54631614  0.55845913  0.05755413
   0.93151956  0.72065969  0.28613707
   0.56637952  0.83068608  0.04260281
   0.86120964  0.97397661  0.33168944
   0.94983025  0.92949941  0.15822628
   0.69789536  0.83262778  0.20936853
   0.83302084  0.61794356  0.44882705
   0.57385250  0.57354261  0.41385258
   0.65885744  0.60068120  0.58185791
   0.82643794  0.77903768  0.79938752
   0.66152841  0.84134701  0.45873235
   0.97358951  1.00873388  0.82100340
   1.01501916  0.87458842  0.67162803
   0.76149182  0.99078783  0.70213827
   0.76033761  0.67943371  0.98189659
   0.54627567  0.69027242  0.86905541
   0.81310656  0.82170701  0.59704444
   1.05061013  0.89532354  0.42518446
   0.86983525  0.23574212  0.09799689
   0.69592389  1.10809471  0.14790694
   0.43083003  0.08704334  0.62260265
   0.39618024  1.20736343  1.06080867
   0.51999439  1.33846695 -0.06162068
   0.39514797  1.12792348  0.06817133
   0.69425441  0.37976560  0.86085860
   0.59414210  0.66872102  0.61363821
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.850356    0.055559   -0.000100
    -0.000000    9.670350    0.253411
    -0.000000    0.000000   14.033403
   Si   O    H 
    32    64    10
Direct configuration=  3302
   0.15688414  0.16254009  0.00516401
   0.36265192  0.10286345  0.38376516
   0.17190258  0.42155951  0.09753833
   0.40659584  0.33611105  0.23994377
   0.08982514  0.16085753  0.48516161
   0.39514628  0.10251389  0.86559097
   0.15290960  0.37513611  0.62185975
   0.37682765  0.39586264  0.76503348
   0.16575464  0.70864283 -0.00593037
   0.41823827  0.58407619  0.37416613
   0.11850143  0.94094293  0.13906006
   0.34412801  0.84631889  0.27623467
   0.16846553  0.57453725  0.50988591
   0.38032453  0.66669787  0.83160882
   0.12255115  0.87268586  0.58330836
   0.40178749  0.94998262  0.66981396
   0.64048314  0.14171167  0.98497839
   0.85822576  0.14646620  0.35075786
   0.62693168  0.42776917  0.10230327
   0.88677892  0.33664605  0.17971420
   0.63539282  0.18476843  0.48806957
   0.91624943  0.13608729  0.87597869
   0.63499959  0.43492804  0.63348463
   0.81051043  0.40305110  0.80634375
   0.58902461  0.68919823 -0.01237047
   0.92393042  0.56682907  0.35022942
   0.58687587  0.90049654  0.14365325
   0.86215362  0.86179650  0.25020069
   0.67756441  0.68227848  0.46475661
   0.87385257  0.68582652  0.89746018
   0.69338009  0.91945479  0.60224351
   0.89426900  0.91608313  0.74405285
   0.16694869  0.10648445  0.11403979
   0.37112342  0.17909977  0.27508227
   0.19044354  0.32804125  0.00767970
   0.40715564  0.43306411  0.32644748
   0.55998511  0.33578799  0.18967226
   0.30216840  0.40083443  0.16746618
   0.21836448  0.14325416  0.42429739
  -0.02276736  0.20292605  0.40916705
   0.03600911 -0.01632353  0.50108140
   0.45485972  0.25057618  0.81818151
   0.11064032  0.20719641  0.59562421
   0.37514052  0.49476318  0.85099151
   0.47928749  0.43968956  0.68003819
   0.22369584  0.34332799  0.72236470
   0.26729937  0.08936278 -0.06500047
   0.00578831  0.13646318  0.97205904
   0.15093455  0.58512495  0.07357915
   0.39587848  0.68660529  0.27743000
   0.17924731  0.85719432  0.05049492
   0.35136023  0.93544659  0.37252452
   0.44781635  0.92284187  0.19820664
   0.19665449  0.87884737  0.23431177
   0.31771206  0.62952948  0.46020906
   0.08356039  0.53999709  0.39320444
   0.24888445  0.42214841  0.53490230
   0.33629849  0.72824614  0.73007667
   0.12316220  0.72842943  0.53408799
   0.39586494  0.98292091  0.78968018
   0.53383406  0.87595104  0.62716550
   0.25767414  0.95348903  0.61591790
   0.29368007  0.71188504 -0.07312104
   0.01980027  0.72952523  0.93605413
   0.65836485  0.05485700  0.10016300
   0.85429576  0.19375811  0.24197783
   0.59473331  0.31339969 -0.00319180
   0.86770392  0.44568636  0.28447174
   0.04369089  0.37620890  0.17077792
   0.78591351  0.45184084  0.11123017
   0.72968909  0.22705084  0.40043850
   0.48534053  0.15680199  0.45129411
   0.71127992  0.06042907  0.53678737
   0.91063906  0.27768728  0.81905519
   0.62356923  0.32438325  0.55391157
   0.88954308  0.52810159  0.84745040
   1.06072336  0.51987292  0.61699899
   0.76658046  0.41820165  0.69604943
   0.75837189  0.10267567  0.90816257
   0.51951907  0.06356457  0.93789169
   0.54527976  0.55743915  0.05710120
   0.93280885  0.72122235  0.28686307
   0.56694250  0.83034132  0.04069036
   0.86198103  0.97520803  0.33312063
   0.94725283  0.92856229  0.15906458
   0.69708226  0.83269179  0.20942456
   0.83267487  0.61711950  0.44815844
   0.57279837  0.57329193  0.41380512
   0.65923738  0.60148324  0.58099346
   0.82798430  0.77644463  0.79938182
   0.66191066  0.84243624  0.45831893
   0.97308942  1.00634047  0.82228080
   1.01446447  0.87439257  0.67138485
   0.76161464  0.99131201  0.70159896
   0.76123746  0.67915144  0.98125731
   0.54717755  0.69111213  0.86851045
   0.81445925  0.82232684  0.59417723
   1.04471497  0.91364774  0.43396071
   0.86775692  0.24061684  0.09646705
   0.69612937  1.10542793  0.15008322
   0.42754326  0.08362675  0.61968919
   0.40502222  1.20454322  1.06285453
   0.52520913  1.34337588 -0.05794254
   0.39858027  1.11975635  0.06870700
   0.69893465  0.37641437  0.86186842
   0.59143032  0.66127407  0.61042730
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851413    0.054162   -0.000196
    -0.000000    9.669539    0.252883
    -0.000000    0.000000   14.033214
   Si   O    H 
    32    64    10
Direct configuration=  3303
   0.15644440  0.16335942  0.00479193
   0.36138353  0.10316635  0.38375428
   0.17170902  0.42073817  0.09768994
   0.40531476  0.33686734  0.23960509
   0.08891808  0.16148406  0.48477733
   0.39448940  0.10225880  0.86492769
   0.15313834  0.37404330  0.62272060
   0.37653997  0.39537719  0.76479696
   0.16658615  0.70750777 -0.00577821
   0.41845757  0.58332348  0.37450672
   0.11825686  0.94055316  0.13849749
   0.34563916  0.84704777  0.27568881
   0.16740874  0.57344568  0.50993618
   0.38092418  0.66576083  0.83216074
   0.12202407  0.87223994  0.58346911
   0.40214678  0.94889177  0.67030045
   0.64057350  0.14275116  0.98373434
   0.85762302  0.14548259  0.35176441
   0.62666768  0.42820009  0.10232144
   0.88811717  0.33797590  0.17929006
   0.63486591  0.18515022  0.48794011
   0.91521895  0.13731372  0.87702564
   0.63407983  0.43449971  0.63323180
   0.81080522  0.40153274  0.80621205
   0.58865353  0.68953050 -0.01284945
   0.92247811  0.56640335  0.35045546
   0.58893290  0.90045508  0.14297601
   0.86207484  0.86117065  0.24988040
   0.67742922  0.68106642  0.46527877
   0.87385901  0.68663231  0.89722785
   0.69132945  0.92046542  0.60174410
   0.89388728  0.91446993  0.74495589
   0.16748833  0.10356185  0.11357479
   0.37209323  0.17967329  0.27452058
   0.18940439  0.32729070  0.00725831
   0.40653694  0.43411213  0.32761820
   0.56005144  0.33712991  0.18839348
   0.30141019  0.40008594  0.16638843
   0.21864446  0.14455843  0.42304650
  -0.02151781  0.20272966  0.41073118
   0.03720744 -0.01813888  0.50044075
   0.45394132  0.25164024  0.81897893
   0.10965465  0.20690772  0.59630719
   0.37482986  0.49568004  0.85095184
   0.48115240  0.43832687  0.67956526
   0.22157864  0.34268548  0.72279305
   0.26804102  0.09039786 -0.06431451
   0.00402857  0.13690103  0.97209882
   0.15095472  0.58663139  0.07301859
   0.39430557  0.68607072  0.27793801
   0.17964342  0.85507117  0.05145621
   0.35132357  0.93410334  0.37430575
   0.44643947  0.92257072  0.19826704
   0.19323638  0.87929611  0.23621981
   0.31784339  0.62922653  0.46067890
   0.08061490  0.54018460  0.39239029
   0.24870979  0.42309346  0.53481468
   0.33663887  0.72903429  0.72837538
   0.12206153  0.72933386  0.53470669
   0.39555523  0.98088117  0.79038835
   0.53303349  0.87512872  0.62679213
   0.25700000  0.95276437  0.61585608
   0.29259276  0.71291791 -0.07261503
   0.02036676  0.73054706  0.93609343
   0.65788414  0.05401155  0.10152252
   0.85404600  0.19443631  0.24144568
   0.59507035  0.31300477 -0.00278010
   0.86810277  0.44556100  0.28482029
   0.04331732  0.37750140  0.17049279
   0.78567966  0.45301305  0.11214894
   0.73011615  0.22685429  0.40067977
   0.48313761  0.15669998  0.45266190
   0.71184692  0.06227624  0.53730577
   0.91146817  0.27649552  0.81996664
   0.62451522  0.32537623  0.55295359
   0.88797484  0.52709594  0.84749284
   1.06246525  0.52014621  0.61634223
   0.76726369  0.41903000  0.69596751
   0.75829885  0.10141146  0.90757058
   0.51966611  0.06343604  0.93810365
   0.54457776  0.55622031  0.05629366
   0.93396971  0.72145394  0.28777383
   0.56700916  0.83009087  0.03902000
   0.86267848  0.97604624  0.33411185
   0.94497861  0.92845909  0.15958059
   0.69629430  0.83233077  0.20994322
   0.83217159  0.61586463  0.44737466
   0.57225914  0.57330959  0.41453768
   0.65865995  0.60237841  0.58037283
   0.82907532  0.77378997  0.79991419
   0.66195834  0.84302827  0.45764602
   0.97206655  1.00389360  0.82337386
   1.01411019  0.87405402  0.67089343
   0.76235409  0.99154140  0.70124091
   0.76109206  0.67885468  0.98078443
   0.54743433  0.69146792  0.86832109
   0.81213529  0.82434678  0.59322471
   1.03888929  0.93388533  0.44692556
   0.86656956  0.24368293  0.09294353
   0.69796712  1.10968555  0.15332211
   0.42797752  0.08693650  0.61587126
   0.41153217  1.19319504  1.06661498
   0.53430817  1.34544006 -0.05311964
   0.40475200  1.12074658  0.07131693
   0.69366521  0.37014123  0.86725364
   0.58793776  0.65473686  0.60857005
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.852298    0.052142   -0.000429
    -0.000000    9.668355    0.252144
    -0.000000    0.000000   14.033384
   Si   O    H 
    32    64    10
Direct configuration=  3304
   0.15604186  0.16370612  0.00458639
   0.36026447  0.10322096  0.38378312
   0.17160649  0.41960582  0.09855012
   0.40479676  0.33716313  0.23920077
   0.08791189  0.16145980  0.48533002
   0.39388579  0.10239602  0.86388099
   0.15344684  0.37290377  0.62290769
   0.37556237  0.39495021  0.76494406
   0.16650176  0.70635368 -0.00534535
   0.41846831  0.58233293  0.37491522
   0.11764347  0.93951631  0.13832781
   0.34648779  0.84769441  0.27490603
   0.16640136  0.57253800  0.50931821
   0.38219496  0.66487590  0.83239576
   0.12140550  0.87218482  0.58424986
   0.40286221  0.94787821  0.67124681
   0.64052619  0.14381374  0.98232757
   0.85667931  0.14436420  0.35247674
   0.62643044  0.42875413  0.10233584
   0.88873378  0.33911684  0.17914138
   0.63345748  0.18536248  0.48809575
   0.91464054  0.13812433  0.87802341
   0.63303641  0.43427844  0.63299357
   0.81074312  0.40028859  0.80599253
   0.58826002  0.69002797 -0.01355557
   0.92102330  0.56644462  0.35065599
   0.59074051  0.90017460  0.14209780
   0.86210288  0.86074741  0.24982049
   0.67760890  0.67922867  0.46556792
   0.87405920  0.68724000  0.89666816
   0.68956263  0.92097545  0.60109494
   0.89391386  0.91216686  0.74642940
   0.16828477  0.10102927  0.11327907
   0.37273484  0.17959481  0.27471104
   0.18900790  0.32546177  0.00641510
   0.40563615  0.43552968  0.32893201
   0.55994704  0.33845642  0.18797533
   0.30147233  0.39967897  0.16512925
   0.21956157  0.14556423  0.42220932
  -0.02075795  0.20274815  0.41192514
   0.03862800 -0.01748754  0.50101545
   0.45299030  0.25387033  0.81912764
   0.10818289  0.20701907  0.59692424
   0.37406756  0.49715335  0.85042163
   0.48269556  0.43791141  0.67918718
   0.22040910  0.34265284  0.72350307
   0.26841696  0.09241263 -0.06395274
   0.00316007  0.13759501  0.97196657
   0.15036695  0.58731597  0.07309739
   0.39344227  0.68615922  0.27831963
   0.17943914  0.85258670  0.05191875
   0.35174626  0.93264134  0.37637779
   0.44562992  0.92286671  0.19805591
   0.18997141  0.88034972  0.23797265
   0.31799397  0.62898207  0.46121697
   0.07749081  0.54094315  0.39213620
   0.24914116  0.42374221  0.53498968
   0.33675638  0.72901171  0.72650895
   0.12158939  0.73132608  0.53516434
   0.39463060  0.97888411  0.78987566
   0.53315431  0.87388418  0.62674191
   0.25563773  0.95184682  0.61556026
   0.29122856  0.71348660 -0.07226038
   0.02117472  0.73198398  0.93630030
   0.65745840  0.05390077  0.10238351
   0.85327795  0.19501896  0.24117987
   0.59688493  0.31226528 -0.00172351
   0.86832100  0.44537371  0.28535782
   0.04441462  0.37816356  0.17047028
   0.78648901  0.45454773  0.11296243
   0.73023555  0.22655305  0.40045945
   0.48054157  0.15618330  0.45383224
   0.71232913  0.06372617  0.53739020
   0.91327884  0.27562889  0.82079543
   0.62533155  0.32666752  0.55209274
   0.88731582  0.52610809  0.84791018
   1.06462079  0.51983177  0.61514773
   0.76703898  0.42047727  0.69603556
   0.75858198  0.10045416  0.90687077
   0.51896773  0.06352564  0.93801858
   0.54476479  0.55618564  0.05540951
   0.93500904  0.72154169  0.28811318
   0.56689979  0.82962438  0.03759851
   0.86384084  0.97663724  0.33542485
   0.94294212  0.93011387  0.16000404
   0.69577877  0.83241358  0.21041844
   0.83144554  0.61480911  0.44666583
   0.57196943  0.57430031  0.41535223
   0.65823595  0.60294377  0.58019216
   0.82993691  0.77164924  0.80056096
   0.66132676  0.84356549  0.45719857
   0.97144514  1.00169688  0.82441211
   1.01355155  0.87406688  0.67105058
   0.76226148  0.99232645  0.70100640
   0.76135146  0.67875759  0.98006350
   0.54713867  0.69185340  0.86859643
   0.81214556  0.82506006  0.59126707
   1.03148865  0.93812457  0.44173319
   0.86500124  0.24234773  0.08642753
   0.69866352  1.11540088  0.15407655
   0.43080350  0.08974854  0.61342929
   0.42133302  1.19363835  1.06914083
   0.53552250  1.34938098 -0.05078939
   0.40854896  1.11520529  0.07262508
   0.68808660  0.36215668  0.86991050
   0.57803655  0.65551166  0.61053864
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.853517    0.049649   -0.000930
    -0.000000    9.667068    0.250991
    -0.000000    0.000000   14.033839
   Si   O    H 
    32    64    10
Direct configuration=  3305
   0.15568035  0.16397522  0.00430840
   0.35986791  0.10291281  0.38380337
   0.17119574  0.41891863  0.09933181
   0.40466799  0.33740994  0.23870688
   0.08768664  0.16099336  0.48611591
   0.39322579  0.10290368  0.86256351
   0.15401781  0.37174076  0.62342593
   0.37438405  0.39445439  0.76513668
   0.16595843  0.70601543 -0.00537785
   0.41762223  0.58185634  0.37497571
   0.11691230  0.93880258  0.13811093
   0.34748584  0.84860030  0.27458655
   0.16519655  0.57142934  0.50858469
   0.38417181  0.66457144  0.83248190
   0.12085792  0.87176923  0.58504500
   0.40300861  0.94717600  0.67204406
   0.64074626  0.14434686  0.98125035
   0.85546566  0.14317907  0.35301533
   0.62594855  0.42905026  0.10247771
   0.88892837  0.34050191  0.17947393
   0.63195758  0.18705712  0.48845295
   0.91375268  0.13847167  0.87880193
   0.63230106  0.43466231  0.63264831
   0.80998206  0.39887394  0.80566824
   0.58819126  0.68991273 -0.01443857
   0.92043883  0.56661321  0.35043310
   0.59138890  0.89989981  0.14101340
   0.86170737  0.86031194  0.25017580
   0.67758647  0.67712445  0.46560288
   0.87409923  0.68751378  0.89641964
   0.68851708  0.92149018  0.60068413
   0.89367089  0.91019037  0.74772093
   0.16874689  0.09837755  0.11332311
   0.37283180  0.17969333  0.27470344
   0.18900201  0.32457134  0.00520355
   0.40508783  0.43653458  0.32986433
   0.55963543  0.33930879  0.18780199
   0.30157806  0.39926708  0.16402467
   0.22058481  0.14642557  0.42123819
  -0.02007055  0.20286351  0.41263535
   0.04007278 -0.01630503  0.50243875
   0.45187220  0.25596542  0.81891028
   0.10671083  0.20725532  0.59652916
   0.37333795  0.49890940  0.85046964
   0.48433293  0.43787459  0.67910647
   0.22040750  0.34224635  0.72515399
   0.26897378  0.09461937 -0.06406035
   0.00309814  0.13874409  0.97202392
   0.14940324  0.58691600  0.07344713
   0.39262563  0.68664508  0.27870487
   0.17922710  0.85042390  0.05314259
   0.35091706  0.93222488  0.37883697
   0.44502956  0.92304639  0.19795568
   0.18652774  0.88151812  0.23969522
   0.31766116  0.62843116  0.46148198
   0.07447987  0.54159973  0.39278949
   0.25037263  0.42376779  0.53479113
   0.33793140  0.72905358  0.72543754
   0.12106220  0.73323937  0.53555482
   0.39404346  0.97616696  0.78951442
   0.53362477  0.87184595  0.62672816
   0.25440732  0.95064349  0.61556274
   0.29014771  0.71389769 -0.07187660
   0.02295339  0.73301217  0.93648806
   0.65752675  0.05445989  0.10326310
   0.85231125  0.19552654  0.24067418
   0.59877099  0.31093016 -0.00010123
   0.86782538  0.44577098  0.28614693
   0.04620720  0.37866362  0.16980193
   0.78755537  0.45582471  0.11437433
   0.73014452  0.22657838  0.39989397
   0.47757871  0.15596086  0.45502765
   0.71334297  0.06530120  0.53753275
   0.91521642  0.27399809  0.82071321
   0.62652596  0.32755397  0.55157053
   0.88711093  0.52589367  0.84822995
   1.06711990  0.51842518  0.61424663
   0.76763248  0.42220366  0.69614345
   0.75868517  0.09996537  0.90709652
   0.51747251  0.06391722  0.93808443
   0.54526471  0.55620291  0.05502440
   0.93590873  0.72187386  0.28797325
   0.56649221  0.82889839  0.03653809
   0.86547337  0.97615239  0.33698315
   0.94093505  0.93117871  0.16006435
   0.69678195  0.83321163  0.21105728
   0.82961423  0.61382365  0.44551615
   0.57130196  0.57578565  0.41591643
   0.65690945  0.60286022  0.58113199
   0.83018929  0.76912936  0.80109477
   0.66125762  0.84470085  0.45705562
   0.97088754  0.99967691  0.82530531
   1.01243007  0.87314182  0.67130118
   0.76137663  0.99360466  0.70091730
   0.76141480  0.67934037  0.97938923
   0.54699314  0.69162491  0.86885682
   0.80751526  0.82265067  0.58894819
   1.02761550  0.93597420  0.43174302
   0.86162333  0.24337856  0.08130606
   0.69250341  1.11640181  0.15154162
   0.43291515  0.09091820  0.61383696
   0.43223732  1.19215147  1.07602171
   0.53536137  1.35250079 -0.05058955
   0.41387253  1.11064986  0.07405186
   0.68558127  0.35208018  0.86721354
   0.57279138  0.65636312  0.60735153
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.854759    0.046810   -0.001614
    -0.000000    9.665733    0.249209
    -0.000000    0.000000   14.034494
   Si   O    H 
    32    64    10
Direct configuration=  3306
   0.15572298  0.16395720  0.00396542
   0.35962843  0.10242480  0.38393793
   0.17078558  0.41830392  0.09995782
   0.40487344  0.33855834  0.23829679
   0.08779103  0.16042859  0.48667254
   0.39270947  0.10268086  0.86114404
   0.15440349  0.37070185  0.62377694
   0.37344608  0.39392635  0.76536731
   0.16514062  0.70566713 -0.00566788
   0.41683935  0.58204833  0.37506326
   0.11643539  0.93811203  0.13788436
   0.34862460  0.84899664  0.27421638
   0.16444476  0.57071525  0.50795544
   0.38571135  0.66469515  0.83211281
   0.11999695  0.87137960  0.58581688
   0.40271115  0.94734014  0.67294807
   0.64093649  0.14383048  0.98034765
   0.85466034  0.14205477  0.35355754
   0.62503066  0.42925102  0.10279097
   0.88871828  0.34238132  0.17977338
   0.63094562  0.18836608  0.48864119
   0.91306158  0.13824052  0.87909545
   0.63264148  0.43526486  0.63189051
   0.80890136  0.39800428  0.80549335
   0.58862769  0.68959292 -0.01567033
   0.92025269  0.56683673  0.34975953
   0.59128710  0.89983867  0.13965491
   0.86171313  0.86035746  0.24998554
   0.67804346  0.67545980  0.46585530
   0.87432144  0.68754912  0.89606697
   0.68783645  0.92166033  0.60033686
   0.89314233  0.90770499  0.74861828
   0.16924037  0.09563999  0.11316021
   0.37319510  0.18009205  0.27470286
   0.18910818  0.32339716  0.00414461
   0.40412980  0.43690561  0.33006445
   0.55818707  0.33922113  0.18740004
   0.30097603  0.39896761  0.16314148
   0.22027524  0.14673980  0.42073499
  -0.02022015  0.20395324  0.41346984
   0.04127143 -0.01492482  0.50348416
   0.44968115  0.25795183  0.81861556
   0.10528247  0.20689381  0.59576607
   0.37214241  0.50039312  0.85018158
   0.48478401  0.43766362  0.67931608
   0.22135265  0.34236514  0.72705719
   0.26874334  0.09708863 -0.06455664
   0.00349569  0.13927448  0.97274466
   0.14935593  0.58605697  0.07396848
   0.39200724  0.68743655  0.27912516
   0.17890579  0.84879368  0.05444768
   0.35040423  0.93137825  0.38094966
   0.44571476  0.92360074  0.19773628
   0.18425031  0.88261059  0.24149860
   0.31754310  0.62795333  0.46172478
   0.07171011  0.54337533  0.39436407
   0.25146884  0.42313173  0.53513692
   0.33895788  0.72852768  0.72469464
   0.12034663  0.73482704  0.53565953
   0.39339206  0.97415196  0.78890756
   0.53465794  0.86952029  0.62710498
   0.25228966  0.94928323  0.61550726
   0.29110452  0.71402717 -0.07183294
   0.02397610  0.73306838  0.93591861
   0.65823479  0.05587946  0.10375400
   0.85145940  0.19547622  0.24011885
   0.60015214  0.30995433  0.00123050
   0.86684394  0.44655132  0.28703203
   0.04814071  0.37852271  0.16957761
   0.78851180  0.45667592  0.11570203
   0.73020311  0.22588184  0.39954873
   0.47420769  0.15589131  0.45623773
   0.71381401  0.06679995  0.53751766
   0.91814611  0.27272195  0.82070799
   0.62793077  0.32755867  0.55085455
   0.88642018  0.52666331  0.84894064
   1.06950121  0.51621925  0.61338369
   0.76802207  0.42304088  0.69602896
   0.75850947  0.09987607  0.90774989
   0.51588229  0.06403300  0.93838925
   0.54594654  0.55742748  0.05477640
   0.93637385  0.72206359  0.28754248
   0.56604495  0.82810680  0.03524165
   0.86747231  0.97587746  0.33852678
   0.93919883  0.93201048  0.15995400
   0.69804413  0.83363070  0.21171123
   0.82828844  0.61326267  0.44396883
   0.57163608  0.57789336  0.41548503
   0.65482819  0.60292723  0.58228231
   0.83090857  0.76731450  0.80140462
   0.66065525  0.84524393  0.45693316
   0.97145428  0.99839936  0.82591097
   1.01115246  0.87245536  0.67121579
   0.75989279  0.99502544  0.70081088
   0.76139628  0.67994924  0.97857660
   0.54630501  0.69212539  0.86885972
   0.80300385  0.81742803  0.59021376
   1.02875788  0.93658451  0.42753660
   0.85989923  0.24178800  0.07819681
   0.68809440  1.11694231  0.14870931
   0.43494164  0.08631925  0.61680889
   0.43897810  1.18536820  1.08271122
   0.53553147  1.35194388 -0.05158396
   0.42207873  1.11094003  0.07449932
   0.69106704  0.34717938  0.86061431
   0.57425194  0.65337749  0.60333866
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856022    0.044152   -0.002598
    -0.000000    9.663952    0.247079
    -0.000000    0.000000   14.034989
   Si   O    H 
    32    64    10
Direct configuration=  3307
   0.15585248  0.16451148  0.00427714
   0.36032762  0.10181622  0.38380611
   0.16982164  0.41819302  0.10095725
   0.40534044  0.33946490  0.23811936
   0.08821831  0.15944882  0.48750673
   0.39260612  0.10247363  0.85961719
   0.15426002  0.36966368  0.62366790
   0.37231875  0.39268920  0.76582217
   0.16404354  0.70591636 -0.00586470
   0.41579748  0.58237489  0.37540044
   0.11541758  0.93686570  0.13803062
   0.34899153  0.84938653  0.27364510
   0.16417550  0.57005748  0.50662341
   0.38709092  0.66544709  0.83205050
   0.11913787  0.87183858  0.58639011
   0.40197608  0.94761183  0.67363194
   0.64137149  0.14308625  0.97939354
   0.85343529  0.14176165  0.35412030
   0.62471307  0.42996709  0.10276951
   0.88883903  0.34433735  0.18015208
   0.63001222  0.18943513  0.48849661
   0.91177672  0.13760335  0.87887729
   0.63366410  0.43623540  0.63099371
   0.80812875  0.39699636  0.80535649
   0.58939615  0.68894184 -0.01699076
   0.91966726  0.56809751  0.34900826
   0.59080742  0.89975175  0.13849229
   0.86103649  0.86078112  0.24997954
   0.67910080  0.67401855  0.46617491
   0.87423744  0.68719429  0.89578056
   0.68761346  0.92178648  0.59985866
   0.89242420  0.90543372  0.74928691
   0.16969973  0.09291737  0.11271832
   0.37408464  0.18045588  0.27446877
   0.18918839  0.32303408  0.00351077
   0.40420374  0.43642796  0.32966962
   0.55739639  0.33891017  0.18759257
   0.30107249  0.39912548  0.16227531
   0.21969555  0.14684750  0.42035116
  -0.02130593  0.20490223  0.41458067
   0.04256732 -0.01396798  0.50412597
   0.44783170  0.25887876  0.81857457
   0.10390550  0.20712677  0.59512542
   0.37154871  0.50160477  0.84981142
   0.48420503  0.43791134  0.67981668
   0.22312308  0.34255529  0.72871716
   0.26805895  0.09907567 -0.06513589
   0.00382082  0.13962247  0.97325457
   0.14894138  0.58438751  0.07409898
   0.39197640  0.68826585  0.27980744
   0.17814293  0.84613648  0.05560911
   0.35056073  0.93052632  0.38217977
   0.44638878  0.92430321  0.19736684
   0.18229221  0.88369387  0.24322329
   0.31807951  0.62760188  0.46177605
   0.06890918  0.54471604  0.39680784
   0.25363230  0.42263623  0.53494345
   0.33995625  0.72675520  0.72429016
   0.11997540  0.73522795  0.53533724
   0.39288115  0.97224085  0.78813870
   0.53475651  0.86743151  0.62754795
   0.25136032  0.94846403  0.61546497
   0.29151476  0.71357044 -0.07223831
   0.02475628  0.73347918  0.93452008
   0.65924556  0.05686391  0.10287435
   0.85044807  0.19522485  0.23961725
   0.60074217  0.30965610  0.00291243
   0.86537419  0.44672967  0.28717200
   0.04956025  0.37786664  0.16891113
   0.78916034  0.45686723  0.11679063
   0.72927376  0.22452467  0.39928008
   0.47098254  0.15612568  0.45795967
   0.71351818  0.06769299  0.53760454
   0.92174773  0.27224959  0.82049799
   0.62929548  0.32799034  0.55023046
   0.88562704  0.52749453  0.84970105
   1.07156565  0.51423727  0.61264956
   0.76794023  0.42328651  0.69553729
   0.75886222  0.09978391  0.90772794
   0.51477650  0.06485791  0.93877538
   0.54708225  0.55891446  0.05450821
   0.93675719  0.72213904  0.28760307
   0.56607487  0.82809226  0.03437633
   0.86819572  0.97554927  0.34034591
   0.93892654  0.93357834  0.15959268
   0.70022258  0.83374844  0.21205510
   0.82718904  0.61346473  0.44356560
   0.57158935  0.57908196  0.41516834
   0.65270866  0.60411140  0.58367161
   0.83138984  0.76667230  0.80124882
   0.66022991  0.84498168  0.45713684
   0.97202983  0.99745698  0.82618494
   1.00974726  0.87150664  0.67069390
   0.75978476  0.99607625  0.70030247
   0.76062323  0.68004262  0.97810433
   0.54563176  0.69213810  0.86917332
   0.80000327  0.80836232  0.59258467
   1.03346637  0.93793834  0.43197848
   0.85943211  0.24329817  0.07826027
   0.68882418  1.12469431  0.15423878
   0.43489940  0.08030226  0.62173065
   0.44348315  1.18156470  1.08915455
   0.54046579  1.35063938 -0.05056193
   0.42949588  1.10937460  0.07693223
   0.69307010  0.34464869  0.85534979
   0.57406544  0.64741613  0.60170790
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.857581    0.041627   -0.004021
    -0.000000    9.661698    0.244732
    -0.000000    0.000000   14.034612
   Si   O    H 
    32    64    10
Direct configuration=  3308
   0.15569007  0.16468690  0.00463759
   0.36154165  0.10147779  0.38378454
   0.16864896  0.41883783  0.10163016
   0.40599794  0.34022279  0.23826745
   0.08868758  0.15815139  0.48848278
   0.39302466  0.10206857  0.85859191
   0.15412380  0.36919890  0.62342497
   0.37182463  0.39100835  0.76636967
   0.16262217  0.70639450 -0.00622463
   0.41542678  0.58249171  0.37658632
   0.11426464  0.93633179  0.13806702
   0.34983552  0.84972636  0.27312769
   0.16412549  0.56991054  0.50511171
   0.38893835  0.66647053  0.83191906
   0.11851173  0.87230228  0.58711502
   0.40111171  0.94753919  0.67413386
   0.64207439  0.14238386  0.97831871
   0.85276276  0.14160311  0.35436996
   0.62450017  0.43093540  0.10249862
   0.88878992  0.34580506  0.18014112
   0.62903314  0.19036776  0.48839309
   0.91075936  0.13687647  0.87825490
   0.63385747  0.43673447  0.63050028
   0.80827217  0.39633340  0.80521331
   0.59001720  0.68837214 -0.01865004
   0.91895463  0.56951198  0.34882828
   0.58992134  0.89955942  0.13775715
   0.86054735  0.86170171  0.25026759
   0.68056243  0.67241097  0.46676235
   0.87426397  0.68724907  0.89571401
   0.68724056  0.92232231  0.59952883
   0.89170680  0.90318500  0.74962889
   0.16992345  0.08995687  0.11183679
   0.37384391  0.18006516  0.27468429
   0.18937472  0.32340950  0.00335337
   0.40500863  0.43547010  0.32893348
   0.55624286  0.33883146  0.18782481
   0.30261111  0.39915433  0.16165678
   0.21903609  0.14687277  0.42001361
  -0.02177170  0.20602360  0.41596123
   0.04422538 -0.01228223  0.50433526
   0.44576731  0.25964049  0.81829204
   0.10259087  0.20768045  0.59460945
   0.37159852  0.50258086  0.84998180
   0.48383026  0.43852511  0.68019838
   0.22541877  0.34223859  0.73054823
   0.26760446  0.10054192 -0.06589229
   0.00404710  0.14037951  0.97349613
   0.14843315  0.58244859  0.07474550
   0.39227765  0.68912878  0.28079391
   0.17736654  0.84379065  0.05664381
   0.35171183  0.92896918  0.38308331
   0.44744411  0.92526915  0.19678664
   0.18183068  0.88420655  0.24469428
   0.31906682  0.62775795  0.46174580
   0.06600988  0.54591814  0.39952997
   0.25605031  0.42186456  0.53494377
   0.34031573  0.72419524  0.72503950
   0.11942307  0.73508857  0.53443332
   0.39250010  0.97126753  0.78763836
   0.53448495  0.86615706  0.62792014
   0.25077438  0.94768514  0.61526502
   0.29182679  0.71322883 -0.07298319
   0.02530527  0.73314575  0.93315920
   0.66040977  0.05706244  0.10205950
   0.84976204  0.19500283  0.23964126
   0.60056950  0.30928410  0.00417221
   0.86380425  0.44659702  0.28728111
   0.05023004  0.37624003  0.16811450
   0.78832427  0.45694508  0.11762207
   0.72749529  0.22284049  0.39902777
   0.46809729  0.15672162  0.46021806
   0.71333068  0.06945124  0.53728475
   0.92523424  0.27320440  0.81978855
   0.62983371  0.32741457  0.54877219
   0.88488923  0.52818750  0.85117782
   1.07312223  0.51378715  0.61187772
   0.76755147  0.42326176  0.69492121
   0.75999525  0.09968931  0.90720528
   0.51365103  0.06558476  0.93938716
   0.54774095  0.55983920  0.05447096
   0.93639744  0.72239101  0.28699795
   0.56628560  0.82878977  0.03418340
   0.86843437  0.97438082  0.34202984
   0.93931422  0.93445169  0.15846814
   0.70220359  0.83370936  0.21188948
   0.82665019  0.61387870  0.44321607
   0.57097362  0.58006272  0.41465419
   0.65164704  0.60430081  0.58484248
   0.83230570  0.76578040  0.80069573
   0.65917381  0.84368816  0.45742556
   0.97210960  0.99712176  0.82634487
   1.00742889  0.87057758  0.67032900
   0.75993047  0.99755701  0.69977879
   0.75931808  0.67990051  0.97772248
   0.54556563  0.69233613  0.86953904
   0.79219730  0.80295650  0.59853171
   1.03621575  0.94018585  0.44321003
   0.85705612  0.24652284  0.08178869
   0.68860961  1.13011244  0.15630330
   0.43600208  0.07456082  0.62754523
   0.45331718  1.18492174  1.09705878
   0.54718909  1.34848624 -0.04901710
   0.43218392  1.10216308  0.07838660
   0.68848559  0.34118539  0.85219235
   0.55727801  0.65189809  0.60605529
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858807    0.038692   -0.005394
    -0.000000    9.659779    0.242383
    -0.000000    0.000000   14.033874
   Si   O    H 
    32    64    10
Direct configuration=  3309
   0.15589190  0.16410996  0.00516717
   0.36232874  0.10051056  0.38393682
   0.16751208  0.41938807  0.10179457
   0.40651392  0.34061085  0.23896309
   0.08976848  0.15737982  0.48920851
   0.39322905  0.10188009  0.85787558
   0.15445046  0.36847270  0.62370207
   0.37154746  0.38999399  0.76636212
   0.16084452  0.70736374 -0.00646940
   0.41566152  0.58224101  0.37771711
   0.11338307  0.93552732  0.13851851
   0.34982115  0.85090705  0.27331647
   0.16438625  0.56975793  0.50335232
   0.39061179  0.66773945  0.83174934
   0.11733630  0.87195520  0.58810045
   0.40076283  0.94749553  0.67468679
   0.64230029  0.14151624  0.97763700
   0.85212403  0.14178439  0.35426187
   0.62529206  0.43211790  0.10228231
   0.88884394  0.34661464  0.17984800
   0.62812509  0.19108882  0.48822046
   0.91030062  0.13595968  0.87783519
   0.63414585  0.43715634  0.63006787
   0.80845087  0.39575449  0.80540009
   0.59127120  0.68793299 -0.02017425
   0.91837415  0.57109256  0.34834068
   0.58978882  0.89959257  0.13731925
   0.85990069  0.86276694  0.25082221
   0.68208571  0.67099757  0.46770030
   0.87542707  0.68708662  0.89621854
   0.68729528  0.92300337  0.59859613
   0.89094635  0.90162110  0.74958470
   0.17078270  0.08766861  0.11092335
   0.37370295  0.17900781  0.27513136
   0.18950015  0.32435416  0.00370393
   0.40599313  0.43409499  0.32785147
   0.55438499  0.33858081  0.18814080
   0.30458531  0.39944463  0.16117510
   0.21844284  0.14735792  0.41990797
  -0.02163533  0.20721250  0.41745219
   0.04509702 -0.01143507  0.50447283
   0.44419376  0.25915295  0.81828672
   0.10144560  0.20837842  0.59457891
   0.37139371  0.50306422  0.84962059
   0.48281838  0.43891803  0.68087732
   0.22625186  0.34207633  0.73193737
   0.26677175  0.10175268 -0.06664183
   0.00384794  0.14091287  0.97326715
   0.14733729  0.58045454  0.07543736
   0.39261170  0.69007392  0.28191125
   0.17650443  0.84146049  0.05784174
   0.35279458  0.92801561  0.38377297
   0.44911020  0.92634047  0.19591865
   0.18145022  0.88436410  0.24626070
   0.31993471  0.62811657  0.46177952
   0.06392203  0.54709456  0.40238864
   0.25793807  0.42073596  0.53498862
   0.34065568  0.72217090  0.72618503
   0.11891995  0.73438972  0.53325270
   0.39228912  0.97027799  0.78749226
   0.53390139  0.86520677  0.62837820
   0.25025973  0.94695028  0.61521888
   0.29246763  0.71229978 -0.07358931
   0.02483815  0.73209918  0.93159677
   0.66066731  0.05811553  0.10109136
   0.84866265  0.19465193  0.23950297
   0.60043600  0.30870500  0.00568083
   0.86228951  0.44678930  0.28757330
   0.05042340  0.37452619  0.16759592
   0.78725951  0.45690271  0.11803336
   0.72632810  0.22073729  0.39871259
   0.46634262  0.15667753  0.46193767
   0.71261481  0.07108680  0.53688242
   0.92898737  0.27431346  0.81874980
   0.62985724  0.32723160  0.54712955
   0.88441204  0.52925601  0.85238818
   1.07441734  0.51310466  0.61129243
   0.76753715  0.42346161  0.69473959
   0.76041670  0.09938751  0.90695201
   0.51241082  0.06705793  0.93983151
   0.54845426  0.56092362  0.05472918
   0.93527991  0.72284483  0.28609736
   0.56638305  0.83022481  0.03473493
   0.86830103  0.97374061  0.34320307
   0.94071637  0.93595678  0.15742841
   0.70427770  0.83405072  0.21180664
   0.82593101  0.61389375  0.44244869
   0.57015078  0.58143511  0.41449535
   0.64994012  0.60479350  0.58600640
   0.83272550  0.76559361  0.80010372
   0.65790453  0.84142727  0.45772963
   0.97207214  0.99774985  0.82639962
   1.00511311  0.86982429  0.67018326
   0.76007308  0.99869054  0.69978701
   0.75866283  0.67924860  0.97683052
   0.54499169  0.69232758  0.87003154
   0.78558510  0.79924586  0.60601182
   1.04113655  0.94015328  0.45254924
   0.85475773  0.25055965  0.08546241
   0.68656847  1.12860582  0.15276981
   0.44123894  0.07033813  0.63309218
   0.45540975  1.17506322  1.10198654
   0.55126946  1.34869803 -0.04801978
   0.43780124  1.10869276  0.08510282
   0.68650924  0.34363578  0.85128289
   0.55369680  0.65464591  0.60885600
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.859787    0.035627   -0.006668
    -0.000000    9.657754    0.240212
    -0.000000    0.000000   14.033253
   Si   O    H 
    32    64    10
Direct configuration=  3310
   0.15613687  0.16344209  0.00555400
   0.36366917  0.09908902  0.38391681
   0.16651547  0.42006379  0.10150546
   0.40768841  0.34003820  0.23956337
   0.09086166  0.15655789  0.48991598
   0.39362258  0.10186666  0.85752071
   0.15437017  0.36834281  0.62359560
   0.37152628  0.38940136  0.76622339
   0.15887956  0.70845124 -0.00643834
   0.41617265  0.58180346  0.37885544
   0.11253418  0.93507668  0.13927478
   0.34903944  0.85192757  0.27364564
   0.16442039  0.56894196  0.50130562
   0.39133081  0.66925573  0.83196438
   0.11532611  0.87156829  0.58936118
   0.39993805  0.94706725  0.67500052
   0.64253865  0.14090404  0.97700353
   0.85187356  0.14175272  0.35429978
   0.62686624  0.43331273  0.10219388
   0.88855410  0.34685641  0.17980277
   0.62683393  0.19209959  0.48788354
   0.91048156  0.13530395  0.87759209
   0.63381797  0.43778370  0.62994109
   0.80851879  0.39565339  0.80579623
   0.59305844  0.68765346 -0.02194435
   0.91803166  0.57223701  0.34800655
   0.58964528  0.89938082  0.13701919
   0.85961664  0.86376545  0.25133138
   0.68317585  0.67003210  0.46884637
   0.87696587  0.68712777  0.89692097
   0.68698752  0.92368312  0.59764133
   0.89017123  0.90030604  0.74962018
   0.17100708  0.08629302  0.10963553
   0.37338117  0.17743419  0.27573944
   0.18899373  0.32603148  0.00431835
   0.40606238  0.43198707  0.32700645
   0.55349507  0.33853037  0.18800053
   0.30641858  0.39980381  0.16105982
   0.21800777  0.14819837  0.41991494
  -0.02237123  0.20882514  0.41855540
   0.04557675 -0.00957008  0.50542985
   0.44295333  0.25833733  0.81828192
   0.10009127  0.20963334  0.59507941
   0.37208443  0.50328886  0.84950610
   0.48213516  0.43882259  0.68124507
   0.22661979  0.34207185  0.73255184
   0.26559933  0.10270573 -0.06781462
   0.00254308  0.14086854  0.97281351
   0.14688390  0.57934877  0.07555379
   0.39315743  0.69116549  0.28273993
   0.17616935  0.83893158  0.05896137
   0.35382499  0.92756645  0.38413477
   0.45096372  0.92789052  0.19484937
   0.18163394  0.88517781  0.24727303
   0.32043519  0.62859317  0.46158192
   0.06236768  0.54815084  0.40478965
   0.25972379  0.41921943  0.53487022
   0.34115343  0.72042808  0.72757934
   0.11858638  0.73407715  0.53195544
   0.39157273  0.96982335  0.78756518
   0.53340587  0.86460844  0.62856737
   0.24958500  0.94614639  0.61529948
   0.29364349  0.71164924 -0.07442622
   0.02433469  0.73028423  0.92998793
   0.66092517  0.05902569  0.10023634
   0.84802910  0.19527548  0.23966600
   0.60017989  0.30825324  0.00673704
   0.86088712  0.44733184  0.28717098
   0.05006459  0.37291507  0.16725709
   0.78539798  0.45728426  0.11858055
   0.72531996  0.21897216  0.39755568
   0.46527640  0.15579380  0.46362668
   0.71171555  0.07131311  0.53691896
   0.93258680  0.27608893  0.81707642
   0.62963807  0.32766765  0.54572151
   0.88472832  0.53005678  0.85361126
   1.07475477  0.51310846  0.61033706
   0.76791827  0.42357672  0.69462392
   0.76122181  0.10035369  0.90654181
   0.51204578  0.06777669  0.93965324
   0.54956051  0.56236594  0.05498443
   0.93407935  0.72284837  0.28560338
   0.56632159  0.83187105  0.03514603
   0.86790380  0.97353090  0.34420755
   0.94330755  0.93730041  0.15674745
   0.70486556  0.83423741  0.21187563
   0.82499414  0.61322455  0.44162291
   0.56866243  0.58285949  0.41474727
   0.64804216  0.60620852  0.58740328
   0.83249153  0.76543331  0.79955791
   0.65618817  0.83898570  0.45865150
   0.97131181  0.99842259  0.82642712
   1.00265312  0.86950233  0.66981584
   0.76071779  0.99913022  0.70015575
   0.75788544  0.67768642  0.97545274
   0.54398576  0.69271718  0.87049860
   0.78228996  0.79635896  0.61138236
   1.04200453  0.92811693  0.44337044
   0.85358914  0.25759758  0.09313332
   0.68521620  1.12428658  0.14689298
   0.44651037  0.07567038  0.63736167
   0.45580127  1.16799265  1.10999811
   0.55191231  1.34782115 -0.05044533
   0.43820743  1.11509550  0.08768444
   0.68261011  0.34475340  0.85077769
   0.55849741  0.65604110  0.60938002
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.860651    0.032621   -0.007855
    -0.000000    9.656346    0.238548
    -0.000000    0.000000   14.032382
   Si   O    H 
    32    64    10
Direct configuration=  3311
   0.15680376  0.16293027  0.00591807
   0.36509270  0.09775903  0.38400854
   0.16630490  0.42096774  0.10141392
   0.40864131  0.33868281  0.24035726
   0.09236037  0.15643178  0.49030364
   0.39388716  0.10236400  0.85737404
   0.15490108  0.36804431  0.62331605
   0.37169155  0.38966676  0.76579517
   0.15672820  0.70899794 -0.00653847
   0.41631782  0.58149017  0.37948555
   0.11203355  0.93465372  0.14019518
   0.34778180  0.85318736  0.27415372
   0.16454739  0.56847536  0.49953939
   0.39108403  0.67091371  0.83226325
   0.11318802  0.87050622  0.59067015
   0.39877269  0.94621559  0.67514742
   0.64223917  0.14003938  0.97691316
   0.85142249  0.14215144  0.35422019
   0.62750056  0.43452647  0.10205037
   0.88791031  0.34719031  0.18003829
   0.62588204  0.19297851  0.48721043
   0.91105913  0.13487970  0.87747195
   0.63335411  0.43800840  0.62994289
   0.80925349  0.39575480  0.80622731
   0.59501837  0.68742343 -0.02328012
   0.91771351  0.57326158  0.34771268
   0.58951670  0.89877874  0.13674600
   0.85928890  0.86442828  0.25183107
   0.68415542  0.66959459  0.46975441
   0.87815138  0.68726494  0.89780684
   0.68693197  0.92408767  0.59674709
   0.88955246  0.89965954  0.74959306
   0.17108883  0.08511988  0.10833367
   0.37231488  0.17507162  0.27639792
   0.18882400  0.32729422  0.00462603
   0.40507290  0.43130542  0.32680975
   0.55316293  0.33957051  0.18763156
   0.30738913  0.40007356  0.16101853
   0.21775617  0.14863571  0.42002567
  -0.02289521  0.20989669  0.41944202
   0.04663824 -0.00883941  0.50587143
   0.44150507  0.25642049  0.81802376
   0.09845062  0.21081558  0.59559811
   0.37322586  0.50348551  0.84926594
   0.48247332  0.43830544  0.68156432
   0.22541884  0.34158329  0.73345685
   0.26430190  0.10347319 -0.06893762
   0.00108399  0.13991614  0.97242550
   0.14691197  0.57800113  0.07557595
   0.39364858  0.69128412  0.28408012
   0.17577914  0.83643470  0.05999766
   0.35466573  0.92701360  0.38357944
   0.45297470  0.92873725  0.19346875
   0.18188709  0.88587066  0.24814427
   0.32019360  0.62939462  0.46103260
   0.06139045  0.54847238  0.40710938
   0.26155081  0.41746009  0.53448382
   0.34190709  0.71864783  0.72924022
   0.11785350  0.73438641  0.53046127
   0.39088586  0.97019400  0.78730354
   0.53249497  0.86466556  0.62846251
   0.24954712  0.94555317  0.61618634
   0.29496130  0.71175350 -0.07494812
   0.02375430  0.72965822  0.92898608
   0.66137058  0.05884431  0.09877333
   0.84777909  0.19648120  0.24029475
   0.60117840  0.30878945  0.00763026
   0.86014370  0.44805859  0.28656102
   0.04924661  0.37142757  0.16728724
   0.78324204  0.45774766  0.11897077
   0.72507188  0.21668524  0.39666900
   0.46481628  0.15469913  0.46517690
   0.71042420  0.07124782  0.53693541
   0.93552625  0.27742230  0.81557745
   0.62897905  0.32899376  0.54489934
   0.88486144  0.53025402  0.85477358
   1.07482132  0.51310115  0.60972227
   0.76872536  0.42395772  0.69490626
   0.76178192  0.10000828  0.90635554
   0.51150005  0.06835884  0.93936773
   0.55039156  0.56372595  0.05518334
   0.93303974  0.72264925  0.28499904
   0.56685712  0.83322365  0.03542358
   0.86727084  0.97326023  0.34533413
   0.94496724  0.93796542  0.15611284
   0.70548301  0.83408816  0.21203361
   0.82470589  0.61282432  0.44098044
   0.56776799  0.58367993  0.41440491
   0.64607383  0.60752344  0.58884617
   0.83161625  0.76558619  0.79942386
   0.65597976  0.83698072  0.46036376
   0.97074687  0.99817864  0.82646164
   1.00021390  0.86875400  0.66975732
   0.76147129  0.99919544  0.70057450
   0.75709665  0.67635626  0.97450383
   0.54250364  0.69345301  0.87067255
   0.78158270  0.79672025  0.61300313
   1.04218114  0.92309779  0.43597054
   0.85374204  0.26249129  0.09544380
   0.68022055  1.12827673  0.14780813
   0.45154975  0.08429158  0.63954226
   0.46128510  1.17432113  1.12083575
   0.55224342  1.35048952 -0.05051785
   0.43611858  1.11108258  0.08255141
   0.68090811  0.34294460  0.84946451
   0.56819667  0.65597319  0.61105956
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861197    0.029556   -0.009209
    -0.000000    9.654750    0.236922
    -0.000000    0.000000   14.031463
   Si   O    H 
    32    64    10
Direct configuration=  3312
   0.15799658  0.16200563  0.00605136
   0.36628274  0.09698219  0.38409581
   0.16723406  0.42194866  0.10119625
   0.40932243  0.33711490  0.24083659
   0.09398580  0.15622533  0.49025987
   0.39381584  0.10296645  0.85740202
   0.15573330  0.36821324  0.62331579
   0.37186504  0.39013728  0.76535235
   0.15537623  0.70940598 -0.00679801
   0.41678319  0.58126822  0.37988419
   0.11247436  0.93401693  0.14056598
   0.34626646  0.85500176  0.27490312
   0.16426730  0.56792344  0.49843746
   0.39051685  0.67281189  0.83259885
   0.11115355  0.86934313  0.59197328
   0.39716197  0.94435679  0.67485414
   0.64182435  0.13896637  0.97700258
   0.85119732  0.14274182  0.35366791
   0.62814190  0.43486758  0.10187933
   0.88769907  0.34758078  0.18072325
   0.62494375  0.19356796  0.48647850
   0.91169612  0.13456535  0.87760010
   0.63268260  0.43785494  0.63007355
   0.81022643  0.39604127  0.80708658
   0.59622007  0.68738834 -0.02416586
   0.91724215  0.57447244  0.34757949
   0.58911296  0.89833095  0.13683480
   0.85957871  0.86561753  0.25206146
   0.68519148  0.66974391  0.47052120
   0.87852399  0.68712372  0.89860788
   0.68672814  0.92377728  0.59586742
   0.88899015  0.89939364  0.74957293
   0.17064535  0.08432857  0.10706420
   0.37145565  0.17256342  0.27710310
   0.18881158  0.32922049  0.00465010
   0.40373044  0.43092646  0.32646415
   0.55337317  0.34041139  0.18683597
   0.30792004  0.40003596  0.16090684
   0.21794192  0.14917171  0.42065006
  -0.02388326  0.21048567  0.41960157
   0.04781615 -0.00864386  0.50602349
   0.43958705  0.25435441  0.81821987
   0.09709558  0.21234424  0.59601715
   0.37437443  0.50297402  0.84930217
   0.48254837  0.43841258  0.68181174
   0.22505807  0.34066279  0.73362623
   0.26259765  0.10420961 -0.07050056
  -0.00111811  0.13976174  0.97263901
   0.14681332  0.57786631  0.07529410
   0.39456713  0.69147126  0.28473499
   0.17597205  0.83499442  0.06114109
   0.35591537  0.92636639  0.38286096
   0.45460358  0.92961434  0.19248931
   0.18274066  0.88662824  0.24842513
   0.31956957  0.63034656  0.46066119
   0.06040356  0.54856240  0.40933126
   0.26330310  0.41679210  0.53426335
   0.34231750  0.71736183  0.73100645
   0.11750001  0.73440586  0.52931332
   0.39039603  0.97068613  0.78738438
   0.53264387  0.86447049  0.62818712
   0.24993858  0.94515913  0.61701420
   0.29468424  0.71124776 -0.07536713
   0.02317472  0.72869677  0.92794577
   0.66212238  0.05791294  0.09684177
   0.84826166  0.19787001  0.24099246
   0.60145203  0.30901822  0.00818807
   0.86032581  0.44902781  0.28595300
   0.04876831  0.37016480  0.16755521
   0.78138360  0.45820053  0.11958986
   0.72431007  0.21438230  0.39525440
   0.46543707  0.15406061  0.46644770
   0.71006296  0.07124746  0.53726363
   0.93798179  0.27880049  0.81444493
   0.62889388  0.33127487  0.54438831
   0.88466673  0.53028506  0.85591347
   1.07427856  0.51242931  0.60926335
   0.76955442  0.42390051  0.69457552
   0.76147455  0.09972910  0.90629436
   0.51154701  0.06938241  0.93869477
   0.55119952  0.56514589  0.05545334
   0.93222999  0.72303855  0.28493759
   0.56666282  0.83445051  0.03486111
   0.86664552  0.97321393  0.34617933
   0.94629696  0.93821619  0.15502515
   0.70423581  0.83510981  0.21249065
   0.82480731  0.61207078  0.44014151
   0.56681394  0.58431415  0.41417805
   0.64404078  0.60760828  0.58928618
   0.83110011  0.76590283  0.80001244
   0.65561308  0.83463595  0.46253183
   0.96980618  0.99773174  0.82643445
   0.99780211  0.86756185  0.66951720
   0.76256847  0.99812311  0.70151902
   0.75622654  0.67449281  0.97354946
   0.54162845  0.69490955  0.87032143
   0.78025423  0.79978241  0.61350550
   1.04137677  0.92324273  0.43186861
   0.85419972  0.26284255  0.09028922
   0.67628769  1.13716209  0.14970822
   0.45923465  0.09053667  0.64428159
   0.46074551  1.17414715  1.12435172
   0.55239499  1.35236025 -0.04791463
   0.43614505  1.11731561  0.08269724
   0.68064290  0.34190458  0.84931465
   0.57134893  0.66146417  0.61409668
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861604    0.026670   -0.010595
    -0.000000    9.652953    0.235248
    -0.000000    0.000000   14.030285
   Si   O    H 
    32    64    10
Direct configuration=  3313
   0.15890421  0.16087436  0.00586681
   0.36716591  0.09620906  0.38436753
   0.16793660  0.42314846  0.10099689
   0.40907636  0.33524949  0.24166191
   0.09598336  0.15585013  0.49030821
   0.39371789  0.10301515  0.85757091
   0.15668029  0.36854262  0.62325663
   0.37254934  0.39050138  0.76495550
   0.15412634  0.70913708 -0.00728413
   0.41703050  0.58143288  0.38005641
   0.11277150  0.93369620  0.14105833
   0.34528418  0.85629507  0.27581039
   0.16365490  0.56725700  0.49764939
   0.38937383  0.67458129  0.83300125
   0.10938406  0.86823479  0.59334557
   0.39626207  0.94271869  0.67443745
   0.64090608  0.13784218  0.97716451
   0.85089407  0.14324865  0.35272245
   0.62863493  0.43559735  0.10172278
   0.88717696  0.34848652  0.18142746
   0.62389969  0.19393039  0.48593940
   0.91276849  0.13461189  0.87737203
   0.63175493  0.43792469  0.63026364
   0.81055709  0.39670837  0.80789740
   0.59743955  0.68751980 -0.02439004
   0.91738346  0.57546542  0.34777791
   0.58942447  0.89779374  0.13649460
   0.86021069  0.86642462  0.25262827
   0.68524232  0.67090978  0.47134080
   0.87870621  0.68681084  0.89929491
   0.68685052  0.92287065  0.59538653
   0.88834316  0.90027822  0.74925645
   0.17041160  0.08331587  0.10607956
   0.37155827  0.17013967  0.27786540
   0.18881395  0.33011446  0.00486489
   0.40181528  0.43048501  0.32666407
   0.55342986  0.34156689  0.18609073
   0.30810923  0.39951119  0.16082237
   0.21874129  0.14902309  0.42179349
  -0.02524903  0.21083296  0.41943371
   0.04876058 -0.00889264  0.50620242
   0.43816707  0.25187242  0.81805953
   0.09558081  0.21390433  0.59603385
   0.37606609  0.50234107  0.84925676
   0.48321661  0.43812045  0.68213683
   0.22498019  0.34019117  0.73360194
   0.26098791  0.10509238 -0.07195646
  -0.00303472  0.14000936  0.97311516
   0.14739610  0.57905314  0.07397015
   0.39526690  0.69225303  0.28574898
   0.17607680  0.83364388  0.06176388
   0.35673247  0.92592058  0.38196392
   0.45514473  0.92996349  0.19145522
   0.18370668  0.88710665  0.24840983
   0.31893994  0.63100035  0.46089332
   0.06010248  0.54919031  0.41092302
   0.26433485  0.41512419  0.53420399
   0.34303348  0.71705544  0.73234915
   0.11756542  0.73499544  0.52874081
   0.39020634  0.97087238  0.78759672
   0.53272085  0.86418231  0.62836213
   0.24986013  0.94477916  0.61780236
   0.29459304  0.71173407 -0.07545344
   0.02296915  0.72833741  0.92673054
   0.66354093  0.05781060  0.09484434
   0.84813409  0.19856596  0.24153028
   0.60158349  0.30969261  0.00885088
   0.86047108  0.44931733  0.28534774
   0.04837073  0.36911100  0.16799612
   0.78098324  0.45847759  0.12076805
   0.72252196  0.21266097  0.39425432
   0.46724805  0.15368742  0.46731607
   0.71032928  0.07079180  0.53779459
   0.94006348  0.28052584  0.81409734
   0.62890229  0.33393646  0.54364247
   0.88444682  0.52991241  0.85737735
   1.07377410  0.51196551  0.60860999
   0.77056742  0.42385542  0.69411587
   0.76081365  0.09969009  0.90642515
   0.51111629  0.06992750  0.93832058
   0.55217802  0.56676108  0.05536534
   0.93096097  0.72246336  0.28472494
   0.56672106  0.83531667  0.03405747
   0.86635069  0.97311245  0.34668164
   0.94702069  0.93851412  0.15428796
   0.70315533  0.83572067  0.21304949
   0.82535856  0.61204155  0.43929964
   0.56643410  0.58430948  0.41451413
   0.64260882  0.60738683  0.59014279
   0.83026069  0.76618894  0.80108051
   0.65638372  0.83211073  0.46439854
   0.96956696  0.99777656  0.82650406
   0.99590814  0.86656975  0.66912620
   0.76286664  0.99622114  0.70209076
   0.75596955  0.67364904  0.97308564
   0.54126323  0.69638327  0.86978196
   0.77933272  0.80762861  0.61430109
   1.04262042  0.92783260  0.43237185
   0.86133825  0.25992643  0.08231962
   0.67279433  1.13666500  0.14895533
   0.46547939  0.09231678  0.65042723
   0.45715810  1.16530750  1.12029670
   0.55041934  1.35422064 -0.04584566
   0.43064023  1.13056224  0.09042320
   0.68303972  0.34412196  0.84840249
   0.56777536  0.67169554  0.61877772
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861746    0.023483   -0.012295
    -0.000000    9.650915    0.233715
    -0.000000    0.000000   14.029089
   Si   O    H 
    32    64    10
Direct configuration=  3314
   0.16007294  0.16042970  0.00596490
   0.36768297  0.09470118  0.38464488
   0.16870837  0.42395496  0.10087067
   0.40857321  0.33386010  0.24255405
   0.09703854  0.15566690  0.49073034
   0.39376250  0.10298995  0.85815033
   0.15751488  0.36918434  0.62347939
   0.37365285  0.39124871  0.76486348
   0.15347218  0.70848758 -0.00733568
   0.41675826  0.58246492  0.38000917
   0.11333083  0.93290810  0.14197864
   0.34418984  0.85793960  0.27633655
   0.16329449  0.56671895  0.49736655
   0.38790047  0.67649562  0.83344734
   0.10766919  0.86785860  0.59418822
   0.39611094  0.94143524  0.67430655
   0.64015008  0.13691188  0.97780958
   0.85102396  0.14349530  0.35193982
   0.62849149  0.43630397  0.10146707
   0.88694419  0.34911479  0.18229113
   0.62263403  0.19437435  0.48506719
   0.91476591  0.13407235  0.87671572
   0.63110059  0.43735252  0.63064108
   0.81186719  0.39661303  0.80880036
   0.59831132  0.68819013 -0.02379762
   0.91753468  0.57658506  0.34790344
   0.59028299  0.89771708  0.13627524
   0.86068062  0.86760755  0.25289576
   0.68522411  0.67181051  0.47194793
   0.87821611  0.68668525  0.89987298
   0.68706866  0.92285287  0.59477316
   0.88746498  0.90138783  0.74867531
   0.17083614  0.08267361  0.10499929
   0.37130625  0.16869694  0.27785621
   0.18887769  0.33133486  0.00437238
   0.39974607  0.43105567  0.32786179
   0.55280314  0.34261057  0.18539319
   0.30835161  0.39935213  0.16065662
   0.22089711  0.14872600  0.42292017
  -0.02662810  0.21200665  0.41936791
   0.05001303 -0.01020713  0.50676654
   0.43742788  0.25007156  0.81831056
   0.09404419  0.21484294  0.59663956
   0.37772239  0.50170728  0.84855416
   0.48357502  0.43794203  0.68228368
   0.22432661  0.33961943  0.73362335
   0.25992035  0.10575730 -0.07394439
  -0.00348988  0.14051529  0.97345471
   0.14859749  0.58047811  0.07236280
   0.39566314  0.69315714  0.28673605
   0.17522163  0.83316117  0.06277750
   0.35784566  0.92553387  0.38013002
   0.45400967  0.92995582  0.19097962
   0.18475400  0.88756433  0.24801834
   0.31675921  0.63145610  0.46163778
   0.05909001  0.54924742  0.41155256
   0.26394352  0.41321638  0.53404784
   0.34425245  0.71752361  0.73264389
   0.11752684  0.73640255  0.52841243
   0.39043630  0.97150418  0.78812295
   0.53292050  0.86357603  0.62874874
   0.24969043  0.94471169  0.61931221
   0.29468455  0.71269007 -0.07452441
   0.02371651  0.72753590  0.92564534
   0.66367687  0.05868830  0.09342233
   0.84867109  0.20042105  0.24184861
   0.60188974  0.31023198  0.00913649
   0.86042111  0.44915949  0.28522124
   0.04846611  0.36766852  0.16796788
   0.78073290  0.45901187  0.12236264
   0.72007099  0.21062015  0.39280881
   0.46936010  0.15387920  0.46784189
   0.71006505  0.07106607  0.53852030
   0.94133114  0.28236482  0.81378343
   0.62947943  0.33604303  0.54361909
   0.88336796  0.52860941  0.85830929
   1.07346551  0.51229595  0.60796878
   0.77085945  0.42421812  0.69416857
   0.75987600  0.09989378  0.90655335
   0.51073471  0.07005580  0.93783720
   0.55217466  0.56886597  0.05465544
   0.92979555  0.72102949  0.28456055
   0.56677212  0.83674697  0.03338714
   0.86566290  0.97264727  0.34724421
   0.94674635  0.93819280  0.15416510
   0.70208845  0.83649506  0.21300902
   0.82615217  0.61152407  0.43888393
   0.56616090  0.58503022  0.41499487
   0.64097005  0.60736609  0.59089370
   0.82974339  0.76648793  0.80260028
   0.65632830  0.82989576  0.46634761
   0.96945248  0.99728955  0.82660473
   0.99290067  0.86596104  0.66899911
   0.76316546  0.99409411  0.70278260
   0.75627654  0.67237023  0.97267444
   0.54120981  0.69778444  0.86928547
   0.78153365  0.81117455  0.61495151
   1.04196588  0.93755619  0.43918513
   0.87231550  0.25832979  0.07450116
   0.67131384  1.13155313  0.14427936
   0.46749812  0.09209305  0.65402077
   0.46710698  1.16763104  1.12439401
   0.54915318  1.35428983 -0.04170445
   0.42059402  1.13075579  0.09064214
   0.68803471  0.34626165  0.84577801
   0.56887122  0.67521173  0.62425354
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861944    0.019277   -0.013522
    -0.000000    9.648922    0.232607
    -0.000000    0.000000   14.027938
   Si   O    H 
    32    64    10
Direct configuration=  3315
   0.16053116  0.16077403  0.00606921
   0.36755653  0.09310941  0.38512241
   0.16852515  0.42457066  0.10061524
   0.40735587  0.33199078  0.24289855
   0.09796650  0.15581143  0.49113859
   0.39304459  0.10318679  0.85837139
   0.15846733  0.37012587  0.62353388
   0.37441510  0.39194710  0.76479004
   0.15361283  0.70789593 -0.00748501
   0.41644517  0.58308215  0.37954096
   0.11410236  0.93188054  0.14264320
   0.34329192  0.85963999  0.27660924
   0.16328144  0.56628151  0.49740662
   0.38653211  0.67806398  0.83398510
   0.10690811  0.86755490  0.59455036
   0.39597047  0.94110730  0.67389991
   0.64035936  0.13595470  0.97873244
   0.85112749  0.14412791  0.35076240
   0.62873425  0.43704419  0.10114972
   0.88644191  0.34989814  0.18305072
   0.62209143  0.19454342  0.48441480
   0.91701082  0.13324599  0.87618811
   0.63035339  0.43676635  0.63119766
   0.81322150  0.39713141  0.81020051
   0.59921333  0.68927802 -0.02324019
   0.91771814  0.57748803  0.34772769
   0.59158046  0.89736368  0.13586626
   0.86123508  0.86848987  0.25310870
   0.68501371  0.67242584  0.47282833
   0.87698955  0.68604212  0.90000101
   0.68741058  0.92276515  0.59416520
   0.88657202  0.90277066  0.74828543
   0.17132085  0.08257753  0.10350910
   0.37163914  0.16726361  0.27820428
   0.18958889  0.33198912  0.00298613
   0.39846734  0.43170238  0.33029406
   0.55230762  0.34357106  0.18467300
   0.30912068  0.39884791  0.15997578
   0.22352611  0.14845046  0.42329115
  -0.02751573  0.21303188  0.41883349
   0.05084578 -0.01223877  0.50664465
   0.43645434  0.24722882  0.81897955
   0.09293466  0.21626470  0.59726950
   0.37960101  0.50020493  0.84810082
   0.48408419  0.43775420  0.68211248
   0.22314429  0.33935255  0.73358178
   0.25915649  0.10619822 -0.07599296
  -0.00372575  0.14161564  0.97412486
   0.14819873  0.58232309  0.07116770
   0.39579241  0.69469749  0.28734695
   0.17386781  0.83401220  0.06406542
   0.35889228  0.92551126  0.37816175
   0.45296085  0.92986332  0.19086531
   0.18591200  0.88779100  0.24737741
   0.31491864  0.63152155  0.46224479
   0.05813839  0.54916110  0.41162465
   0.26327886  0.41060293  0.53398995
   0.34446824  0.71890102  0.73237015
   0.11755621  0.73783495  0.52758046
   0.38977362  0.97172198  0.78956127
   0.53309126  0.86367291  0.62928365
   0.24927729  0.94457966  0.62007485
   0.29403273  0.71410698 -0.07301585
   0.02482119  0.72636602  0.92448392
   0.66435783  0.05909145  0.09205731
   0.84884191  0.20235013  0.24197589
   0.60190481  0.31081685  0.00936194
   0.86092093  0.44881035  0.28509236
   0.04798324  0.36563590  0.16806464
   0.78096909  0.45898491  0.12368443
   0.71639394  0.20852042  0.39158522
   0.47001588  0.15398507  0.46767717
   0.70906920  0.07098367  0.53983079
   0.94216775  0.28314511  0.81332524
   0.62977580  0.33794537  0.54384467
   0.88253408  0.52629531  0.85930444
   1.07309895  0.51284681  0.60743996
   0.77110440  0.42475337  0.69411681
   0.75860809  0.10042026  0.90681701
   0.51056283  0.06991860  0.93709058
   0.55284381  0.57032863  0.05390851
   0.92899872  0.72016319  0.28418046
   0.56709285  0.83800451  0.03220213
   0.86573072  0.97180962  0.34770089
   0.94663175  0.93816388  0.15453567
   0.70164687  0.83695631  0.21262942
   0.82692672  0.61066853  0.43935730
   0.56695259  0.58613433  0.41526409
   0.63843819  0.60735944  0.59213582
   0.82927501  0.76675205  0.80395857
   0.65641657  0.82853637  0.46798069
   0.96949542  0.99685814  0.82678672
   0.99040484  0.86613792  0.66896977
   0.76331919  0.99167789  0.70368470
   0.75645200  0.67170913  0.97255345
   0.54168298  0.69843641  0.86931389
   0.78811688  0.81121172  0.61248126
   1.04170524  0.94981744  0.44724083
   0.88128182  0.25868016  0.07148833
   0.67072957  1.12378192  0.13822959
   0.46618798  0.08824741  0.65906489
   0.47263892  1.17088485  1.12973652
   0.54382707  1.35325529 -0.04081481
   0.40998745  1.13128675  0.09077602
   0.69291113  0.34768847  0.84709077
   0.57698670  0.67712436  0.62636229
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862446    0.015207   -0.015217
    -0.000000    9.647432    0.231918
    -0.000000    0.000000   14.026904
   Si   O    H 
    32    64    10
Direct configuration=  3316
   0.16031210  0.16131434  0.00573718
   0.36754803  0.09097866  0.38523160
   0.16876565  0.42443636  0.10028230
   0.40605107  0.33078641  0.24344206
   0.09892742  0.15584940  0.49144896
   0.39222123  0.10248881  0.85854822
   0.15975362  0.37061022  0.62359783
   0.37502350  0.39244221  0.76525653
   0.15416440  0.70755668 -0.00741809
   0.41581303  0.58342346  0.37845723
   0.11466041  0.93112043  0.14299594
   0.34322972  0.86039403  0.27682209
   0.16327547  0.56631558  0.49777698
   0.38454018  0.67926648  0.83476242
   0.10635053  0.86730194  0.59444379
   0.39632131  0.94163507  0.67372045
   0.64053275  0.13529768  0.97949025
   0.85197194  0.14414954  0.34996369
   0.62874106  0.43793327  0.10051698
   0.88569173  0.35088594  0.18330627
   0.62190961  0.19430432  0.48391600
   0.91902146  0.13249591  0.87547412
   0.62948680  0.43633055  0.63223508
   0.81514802  0.39821721  0.81155346
   0.59998660  0.69051477 -0.02248908
   0.91839234  0.57792501  0.34767855
   0.59278701  0.89751281  0.13540955
   0.86162860  0.86875684  0.25308630
   0.68500100  0.67324184  0.47347590
   0.87623168  0.68521831  0.89948535
   0.68845306  0.92281500  0.59391651
   0.88591556  0.90378803  0.74780708
   0.17154366  0.08241308  0.10236885
   0.37246700  0.16636118  0.27856789
   0.18996660  0.33282042  0.00176603
   0.39698666  0.43300695  0.33268174
   0.55238712  0.34416960  0.18319537
   0.30977943  0.39806621  0.15904122
   0.22636415  0.14860223  0.42396790
  -0.02887314  0.21340828  0.41843839
   0.05150336 -0.01457053  0.50749469
   0.43605945  0.24532087  0.81944672
   0.09174637  0.21735700  0.59776468
   0.38200277  0.49927919  0.84740530
   0.48542344  0.43669137  0.68218359
   0.22217581  0.33870863  0.73347752
   0.25807679  0.10743903 -0.07794051
  -0.00403713  0.14262391  0.97458845
   0.14765403  0.58371046  0.07012086
   0.39515583  0.69689911  0.28784255
   0.17223332  0.83433422  0.06563716
   0.36017856  0.92575942  0.37631101
   0.45258343  0.92942215  0.19140360
   0.18715327  0.88762785  0.24666725
   0.31309935  0.63181556  0.46283797
   0.05713088  0.54917083  0.41150987
   0.26267915  0.40854175  0.53379209
   0.34449151  0.71959201  0.73161860
   0.11764437  0.73842069  0.52681951
   0.38894880  0.97293202  0.79112174
   0.53318161  0.86411840  0.63001663
   0.24875700  0.94481546  0.62159287
   0.29301373  0.71529288 -0.07128958
   0.02643938  0.72613036  0.92332793
   0.66514107  0.05845376  0.09044117
   0.84888178  0.20523944  0.24159252
   0.60231908  0.31079880  0.00948734
   0.86153497  0.44928290  0.28531509
   0.04743624  0.36507412  0.16810001
   0.78070973  0.45906583  0.12456457
   0.71219806  0.20723384  0.39022987
   0.46960309  0.15381126  0.46750039
   0.70802976  0.07092919  0.54115588
   0.94298870  0.28318173  0.81323634
   0.62960187  0.33935941  0.54332110
   0.88217762  0.52445694  0.86017708
   1.07321302  0.51421807  0.60731251
   0.77112334  0.42424925  0.69384770
   0.75750112  0.10101543  0.90708248
   0.51008882  0.07021282  0.93680440
   0.55456597  0.57110644  0.05328199
   0.92825339  0.71926886  0.28375941
   0.56768686  0.83910340  0.03048555
   0.86588584  0.97094304  0.34753511
   0.94667591  0.93788185  0.15536640
   0.70158919  0.83726383  0.21246746
   0.82825211  0.60944921  0.44037238
   0.56868331  0.58728777  0.41597644
   0.63520674  0.60748059  0.59319098
   0.82920388  0.76710622  0.80479505
   0.65609982  0.82722633  0.46998244
   0.96964524  0.99553372  0.82680537
   0.98809427  0.86621298  0.66883848
   0.76328780  0.98849411  0.70409031
   0.75733308  0.67071289  0.97290863
   0.54272060  0.69841196  0.86970090
   0.79765536  0.80864674  0.60888448
   1.04124098  0.94960678  0.44362081
   0.89770695  0.26765594  0.07248461
   0.67903145  1.12902093  0.14522686
   0.46347447  0.08247054  0.66257841
   0.45730384  1.16510916  1.12521177
   0.54098735  1.35159261 -0.04062769
   0.41259683  1.13746438  0.09899658
   0.69021682  0.34704667  0.84993874
   0.58535004  0.67949894  0.62770483
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862626    0.011119   -0.017297
    -0.000000    9.646149    0.232055
    -0.000000    0.000000   14.025958
   Si   O    H 
    32    64    10
Direct configuration=  3317
   0.15994355  0.16228379  0.00501957
   0.36824308  0.08926837  0.38529205
   0.16867693  0.42371005  0.10013481
   0.40527110  0.32969921  0.24399293
   0.09926551  0.15626713  0.49213787
   0.39165534  0.10205966  0.85924791
   0.15985639  0.37143076  0.62347350
   0.37571353  0.39274275  0.76611074
   0.15538418  0.70729889 -0.00751587
   0.41474898  0.58341640  0.37807237
   0.11522239  0.93022970  0.14344262
   0.34312447  0.86099217  0.27682932
   0.16344597  0.56661183  0.49819711
   0.38333007  0.68011212  0.83581666
   0.10621527  0.86655363  0.59419795
   0.39674693  0.94208029  0.67392556
   0.64072473  0.13491372  0.98011625
   0.85248295  0.14404584  0.34933318
   0.62897687  0.43879765  0.09953830
   0.88481319  0.35143168  0.18338290
   0.62236957  0.19429656  0.48348664
   0.92104856  0.13226960  0.87469926
   0.62999996  0.43596668  0.63331506
   0.81672335  0.39913785  0.81270389
   0.59988467  0.69190641 -0.02153931
   0.91917072  0.57836243  0.34704747
   0.59343021  0.89739833  0.13487587
   0.86221959  0.86871605  0.25306650
   0.68507455  0.67357609  0.47456616
   0.87537267  0.68379585  0.89872947
   0.68897807  0.92322971  0.59363753
   0.88478591  0.90467250  0.74752767
   0.17210021  0.08166276  0.10225149
   0.37369749  0.16615071  0.27865807
   0.19031686  0.33277366  0.00106210
   0.39596658  0.43427886  0.33496871
   0.55247523  0.34422034  0.18122058
   0.30984523  0.39724224  0.15867951
   0.22897769  0.14907783  0.42485910
  -0.02980033  0.21392095  0.41877827
   0.05213086 -0.01616885  0.50880882
   0.43634051  0.24459870  0.81971412
   0.09045604  0.21841803  0.59824635
   0.38467470  0.49792252  0.84715117
   0.48624773  0.43586294  0.68289445
   0.22157281  0.33753761  0.73402852
   0.25658698  0.10812446 -0.07866413
  -0.00376478  0.14344873  0.97574352
   0.14789384  0.58508616  0.06941138
   0.39507447  0.69957494  0.28880237
   0.17105102  0.83460817  0.06667766
   0.36149141  0.92634706  0.37514877
   0.45272629  0.92867597  0.19205494
   0.18834741  0.88806696  0.24581883
   0.31174186  0.63160340  0.46314590
   0.05636053  0.54840105  0.41058084
   0.26236843  0.40614137  0.53296219
   0.34443039  0.72091048  0.73001268
   0.11700102  0.73943000  0.52599876
   0.38904978  0.97281987  0.79253592
   0.53331030  0.86451757  0.63073756
   0.24848237  0.94528128  0.62335099
   0.29167240  0.71577792 -0.06971112
   0.02836473  0.72550209  0.92227653
   0.66603433  0.05829509  0.08954178
   0.84941371  0.20777074  0.24143315
   0.60248774  0.31015769  0.00928547
   0.86168741  0.44986838  0.28558816
   0.04791744  0.36474137  0.16873970
   0.78010852  0.45850479  0.12597721
   0.70912777  0.20600833  0.38913710
   0.46930110  0.15405848  0.46751633
   0.70658066  0.07119353  0.54226073
   0.94362340  0.28232269  0.81347491
   0.62931236  0.34074107  0.54298646
   0.88256461  0.52279074  0.86097170
   1.07419094  0.51557046  0.60698129
   0.77078047  0.42367062  0.69358014
   0.75692539  0.10130577  0.90699776
   0.51088604  0.07085450  0.93683936
   0.55610079  0.57117999  0.05333702
   0.92833235  0.71847469  0.28301287
   0.56879576  0.84035529  0.02881905
   0.86704449  0.97083483  0.34653945
   0.94618970  0.93748411  0.15661271
   0.70191729  0.83888849  0.21209136
   0.82855231  0.60820948  0.44114794
   0.57017773  0.58823489  0.41642998
   0.63271055  0.60768856  0.59443610
   0.82970108  0.76701536  0.80593007
   0.65560288  0.82730457  0.47137723
   0.96988944  0.99489455  0.82630816
   0.98623442  0.86590829  0.66863136
   0.76333091  0.98503309  0.70450611
   0.75889237  0.67011719  0.97350180
   0.54334065  0.69859485  0.87070544
   0.79904768  0.80859071  0.60483922
   1.04473406  0.94436589  0.43763384
   0.90856376  0.28195772  0.07563862
   0.68570856  1.12746087  0.14846991
   0.46011988  0.07727623  0.66517187
   0.45535624  1.16426633  1.12625842
   0.54108470  1.34774759 -0.03675568
   0.40471716  1.13415182  0.10020465
   0.68670513  0.34789163  0.85291807
   0.59186843  0.68482126  0.63049669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.862948    0.007540   -0.018824
    -0.000000    9.645003    0.232176
    -0.000000    0.000000   14.025141
   Si   O    H 
    32    64    10
Direct configuration=  3318
   0.15928944  0.16340457  0.00447566
   0.36870805  0.08797453  0.38549065
   0.16841628  0.42302150  0.09985157
   0.40468852  0.32857359  0.24386858
   0.09904290  0.15720960  0.49250123
   0.39123004  0.10164887  0.85983211
   0.15968846  0.37222409  0.62384077
   0.37585005  0.39262454  0.76646016
   0.15698092  0.70699891 -0.00778085
   0.41346724  0.58406930  0.37751423
   0.11562630  0.92866834  0.14396336
   0.34311121  0.86087621  0.27632926
   0.16336536  0.56702692  0.49872889
   0.38203565  0.68059110  0.83673936
   0.10628725  0.86605553  0.59383222
   0.39737227  0.94209180  0.67408243
   0.64082598  0.13452676  0.98053484
   0.85319831  0.14360923  0.34888863
   0.62888875  0.43941320  0.09862714
   0.88428203  0.35251173  0.18346282
   0.62256018  0.19427489  0.48380622
   0.92325638  0.13188769  0.87415515
   0.63057037  0.43554194  0.63421109
   0.81743598  0.39991089  0.81330605
   0.60012925  0.69378211 -0.02058525
   0.92022568  0.57906462  0.34659146
   0.59355713  0.89725146  0.13414379
   0.86307262  0.86817647  0.25260838
   0.68507497  0.67372747  0.47616194
   0.87417690  0.68245809  0.89794917
   0.68995648  0.92412116  0.59359696
   0.88388380  0.90557892  0.74798006
   0.17315025  0.07999898  0.10217098
   0.37508805  0.16601368  0.27829904
   0.19155755  0.33234047  0.00037742
   0.39508387  0.43508656  0.33658192
   0.55325162  0.34487799  0.17969179
   0.30936838  0.39660030  0.15860440
   0.22995912  0.15014473  0.42615918
  -0.03137531  0.21300405  0.41973958
   0.05192840 -0.01709240  0.50976966
   0.43623232  0.24561791  0.81949019
   0.08925173  0.21935353  0.59896602
   0.38741662  0.49735665  0.84705679
   0.48620786  0.43522414  0.68311997
   0.22129278  0.33679120  0.73459466
   0.25489869  0.10837015 -0.07987411
  -0.00236133  0.14433789  0.97657208
   0.14796529  0.58581183  0.06909608
   0.39465321  0.70138717  0.28950107
   0.17042673  0.83380050  0.06691026
   0.36365717  0.92711806  0.37490261
   0.45349042  0.92804568  0.19267824
   0.18870980  0.88844854  0.24504946
   0.31030399  0.63141533  0.46368924
   0.05587087  0.54681665  0.40930219
   0.26233901  0.40431256  0.53223078
   0.34420928  0.72161759  0.72829475
   0.11591859  0.74018194  0.52530658
   0.38878471  0.97176886  0.79330100
   0.53361159  0.86486443  0.63184462
   0.24790507  0.94469640  0.62565267
   0.29035741  0.71620113 -0.06857550
   0.03109729  0.72492815  0.92141379
   0.66710010  0.05847009  0.08918758
   0.85004727  0.20992244  0.24126265
   0.60279067  0.30905552  0.00930779
   0.86182262  0.44969078  0.28597208
   0.04858471  0.36424201  0.16918894
   0.77956659  0.45841236  0.12750186
   0.70622810  0.20523390  0.38782570
   0.46855094  0.15375822  0.46696737
   0.70461964  0.07144658  0.54328218
   0.94457063  0.28144127  0.81421666
   0.62776129  0.34216575  0.54255819
   0.88323312  0.52218288  0.86167310
   1.07570277  0.51716137  0.60681850
   0.77044722  0.42225713  0.69369363
   0.75730082  0.10175762  0.90734507
   0.51217669  0.07173600  0.93710243
   0.55734574  0.57043092  0.05324899
   0.92806310  0.71830407  0.28249286
   0.56922205  0.84105495  0.02692364
   0.86794426  0.97089060  0.34533330
   0.94611395  0.93742898  0.15792282
   0.70231766  0.84040717  0.21130222
   0.82874093  0.60765691  0.44216276
   0.57197431  0.58815227  0.41683790
   0.63118814  0.60746838  0.59555987
   0.82965504  0.76668050  0.80699756
   0.65568815  0.82755713  0.47231947
   0.97019974  0.99374073  0.82586361
   0.98500193  0.86474413  0.66780951
   0.76290549  0.98222263  0.70427402
   0.76022048  0.67020310  0.97413421
   0.54383441  0.69800357  0.87203476
   0.79461172  0.81081863  0.60045828
   1.04786928  0.93908631  0.43770952
   0.91650903  0.29636470  0.08087569
   0.68906221  1.11523461  0.14469172
   0.45690533  0.07647340  0.66201827
   0.46152603  1.16525923  1.12970285
   0.53543419  1.34758557 -0.03753891
   0.39368239  1.12754769  0.09748491
   0.68725993  0.35171322  0.85702562
   0.59278495  0.69249763  0.63391183
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863168    0.003895   -0.020694
    -0.000000    9.643765    0.232446
    -0.000000    0.000000   14.024798
   Si   O    H 
    32    64    10
Direct configuration=  3319
   0.15898718  0.16444790  0.00383672
   0.36886987  0.08713761  0.38581756
   0.16772912  0.42346951  0.09942365
   0.40397929  0.32848630  0.24362958
   0.09855527  0.15819285  0.49228122
   0.39121480  0.10146655  0.86071415
   0.15940365  0.37298487  0.62432969
   0.37598335  0.39207516  0.76643346
   0.15839860  0.70704754 -0.00810647
   0.41240977  0.58460026  0.37702003
   0.11574161  0.92702235  0.14449696
   0.34332081  0.85987491  0.27592694
   0.16267064  0.56708303  0.49921320
   0.38106090  0.68035848  0.83741264
   0.10666395  0.86534689  0.59358040
   0.39816766  0.94191093  0.67439781
   0.64104189  0.13416818  0.98069428
   0.85349344  0.14405146  0.34859112
   0.62938377  0.44003474  0.09801613
   0.88389212  0.35395266  0.18362726
   0.62342434  0.19476155  0.48445245
   0.92517615  0.13180925  0.87397230
   0.63116244  0.43493094  0.63481180
   0.81769664  0.40024354  0.81353419
   0.60041251  0.69502662 -0.01981787
   0.92115439  0.57910038  0.34612594
   0.59386749  0.89697353  0.13345618
   0.86390553  0.86748481  0.25260470
   0.68550630  0.67287204  0.47726483
   0.87264432  0.68124444  0.89720514
   0.69085427  0.92407847  0.59356010
   0.88293711  0.90593279  0.74856860
   0.17346924  0.07844688  0.10188550
   0.37603364  0.16745007  0.27747068
   0.19326517  0.33208583  0.00027203
   0.39489326  0.43538029  0.33707747
   0.55408783  0.34593155  0.17893974
   0.30915756  0.39634140  0.15863311
   0.23009427  0.15143507  0.42778739
  -0.03311164  0.21120985  0.42041659
   0.05157163 -0.01732940  0.50997003
   0.43537159  0.24733627  0.81966078
   0.08776894  0.22032111  0.59927571
   0.39054560  0.49770732  0.84768083
   0.48570289  0.43369590  0.68334074
   0.22108489  0.33664894  0.73493336
   0.25314775  0.10872362 -0.08026388
  -0.00086043  0.14456683  0.97767258
   0.14814708  0.58592536  0.06887458
   0.39377577  0.70227933  0.29055362
   0.17082996  0.83177195  0.06682643
   0.36569037  0.92756281  0.37485133
   0.45422117  0.92752044  0.19359163
   0.18857006  0.88848802  0.24523180
   0.30880753  0.63130346  0.46410608
   0.05539214  0.54533874  0.40806903
   0.26181944  0.40319905  0.53180945
   0.34393550  0.72323202  0.72671467
   0.11476019  0.74101464  0.52482636
   0.38922340  0.97064881  0.79332386
   0.53492344  0.86503910  0.63276592
   0.24573426  0.94451921  0.62779937
   0.28981809  0.71728072 -0.06813299
   0.03289634  0.72535770  0.92096273
   0.66762496  0.05852093  0.08880798
   0.85061959  0.21248059  0.24094150
   0.60278847  0.30722485  0.00912772
   0.86189276  0.44989035  0.28586862
   0.04915547  0.36441016  0.16952627
   0.77886207  0.45816541  0.12868710
   0.70373551  0.20425474  0.38651882
   0.46789504  0.15277963  0.46586308
   0.70317165  0.07198270  0.54387052
   0.94462920  0.28030699  0.81464943
   0.62717898  0.34283413  0.54156293
   0.88374728  0.52269319  0.86264399
   1.07674639  0.51929201  0.60656968
   0.77072431  0.42077022  0.69330933
   0.75789330  0.10236581  0.90761572
   0.51400422  0.07269455  0.93783014
   0.55813348  0.56988033  0.05324259
   0.92798033  0.71867421  0.28151869
   0.56974430  0.84152173  0.02556577
   0.86868900  0.97100505  0.34414149
   0.94606327  0.93778908  0.15944487
   0.70329213  0.84113108  0.21023255
   0.82818332  0.60673126  0.44307004
   0.57367534  0.58820810  0.41710675
   0.62967498  0.60669226  0.59635665
   0.82927973  0.76719666  0.80729141
   0.65524229  0.82893995  0.47319168
   0.97037183  0.99208080  0.82553941
   0.98459984  0.86308633  0.66675039
   0.76177302  0.97927933  0.70363468
   0.76123725  0.67132250  0.97471429
   0.54306174  0.69840712  0.87321333
   0.78812505  0.81006044  0.59720959
   1.05028002  0.93620171  0.44065018
   0.91931763  0.30594409  0.08252762
   0.69240475  1.10404771  0.14128216
   0.45651986  0.08093104  0.65769423
   0.45228430  1.15799565  1.12635596
   0.52967355  1.34830312 -0.03808403
   0.39466663  1.12585305  0.10000029
   0.69070921  0.35745596  0.86142363
   0.59293496  0.69804425  0.63521821
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.863794    0.001297   -0.022655
    -0.000000    9.642598    0.233270
    -0.000000    0.000000   14.024450
   Si   O    H 
    32    64    10
Direct configuration=  3320
   0.15878875  0.16609685  0.00342100
   0.36862770  0.08664915  0.38633498
   0.16665782  0.42410548  0.09907875
   0.40251923  0.32894478  0.24317151
   0.09759069  0.15907150  0.49256474
   0.39110535  0.10131615  0.86157452
   0.15941690  0.37371207  0.62475474
   0.37565756  0.39059963  0.76674302
   0.15988043  0.70705842 -0.00823086
   0.41151245  0.58614971  0.37706542
   0.11640889  0.92607734  0.14503451
   0.34391317  0.85868034  0.27553308
   0.16182011  0.56747403  0.49962958
   0.38069643  0.68035356  0.83799926
   0.10674492  0.86431774  0.59312825
   0.39939327  0.94234113  0.67452169
   0.64141701  0.13314697  0.98106816
   0.85369221  0.14430305  0.34801873
   0.63036356  0.43976244  0.09796802
   0.88410981  0.35580354  0.18422549
   0.62436244  0.19523568  0.48542904
   0.92723400  0.13153913  0.87410035
   0.63158962  0.43442800  0.63547747
   0.81797721  0.39966968  0.81328837
   0.60071595  0.69607871 -0.01928740
   0.92211162  0.57814231  0.34613528
   0.59391378  0.89691220  0.13293768
   0.86447495  0.86711655  0.25184995
   0.68531806  0.67142355  0.47814259
   0.87111989  0.67986925  0.89637360
   0.69184965  0.92420526  0.59298708
   0.88226564  0.90615328  0.74978227
   0.17335219  0.07722397  0.10229900
   0.37736418  0.16891059  0.27708818
   0.19407778  0.33188125  0.00010760
   0.39424571  0.43526130  0.33732886
   0.55491717  0.34730445  0.17916788
   0.30961952  0.39653971  0.15873629
   0.23021009  0.15274181  0.42961395
  -0.03547495  0.20954100  0.42132512
   0.05111470 -0.01672999  0.50915524
   0.43547144  0.24926773  0.81914010
   0.08564094  0.22095470  0.59980120
   0.39343332  0.49876703  0.84892470
   0.48484233  0.43275245  0.68356377
   0.22058576  0.33747688  0.73504064
   0.25179454  0.10864325 -0.08095905
   0.00016357  0.14528663  0.97852904
   0.14922194  0.58582955  0.06941354
   0.39364203  0.70313482  0.29140091
   0.17060479  0.82932074  0.06661899
   0.36831336  0.92782743  0.37570753
   0.45518297  0.92651394  0.19368916
   0.18821908  0.88929954  0.24518034
   0.30750647  0.63122774  0.46400786
   0.05545292  0.54359387  0.40678555
   0.26190331  0.40119113  0.53111420
   0.34316611  0.72457486  0.72483975
   0.11343628  0.74114748  0.52442893
   0.38927985  0.96931684  0.79350371
   0.53626424  0.86528856  0.63359747
   0.24467087  0.94528124  0.62895861
   0.28952230  0.71764008 -0.06782105
   0.03390360  0.72557206  0.92004610
   0.66858421  0.05812201  0.08757075
   0.85069026  0.21408863  0.24131484
   0.60225131  0.30531443  0.00822572
   0.86224582  0.45047159  0.28610780
   0.04960087  0.36523708  0.17008165
   0.77725914  0.45855766  0.12942196
   0.70204973  0.20287476  0.38517581
   0.46768002  0.15115257  0.46518926
   0.70152335  0.07231150  0.54395997
   0.94439990  0.27913963  0.81544886
   0.62631054  0.34369740  0.54013901
   0.88504779  0.52347014  0.86380050
   1.07739476  0.51968859  0.60671473
   0.77150207  0.41993015  0.69343703
   0.75918322  0.10365090  0.90818233
   0.51488705  0.07376908  0.93839999
   0.55830758  0.56991933  0.05278572
   0.92806195  0.71973976  0.27967321
   0.57039751  0.84210449  0.02462994
   0.86909303  0.97190870  0.34347542
   0.94677873  0.93822096  0.16114687
   0.70381449  0.84170607  0.20937559
   0.82753116  0.60501166  0.44345125
   0.57505746  0.58840267  0.41730199
   0.62871288  0.60685989  0.59748830
   0.82886878  0.76775200  0.80674400
   0.65460729  0.83062350  0.47464055
   0.97037683  0.98982386  0.82492376
   0.98471354  0.86075173  0.66577639
   0.76019747  0.97777199  0.70235074
   0.76285348  0.67272389  0.97545227
   0.54244716  0.69804724  0.87426795
   0.77863391  0.80805180  0.59420740
   1.05232779  0.93513658  0.44986563
   0.91414882  0.31119945  0.08198824
   0.70639605  1.10718809  0.14825408
   0.45387363  0.08808473  0.65329377
   0.44223939  1.15238936  1.12124298
   0.53353956  1.34525415 -0.03614281
   0.39614524  1.12486073  0.10325174
   0.69084440  0.36077798  0.86398659
   0.58974633  0.69683958  0.63299902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.865058   -0.000591   -0.024427
    -0.000000    9.641105    0.233913
    -0.000000    0.000000   14.024007
   Si   O    H 
    32    64    10
Direct configuration=  3321
   0.15855701  0.16776848  0.00329719
   0.36792655  0.08710779  0.38673086
   0.16589008  0.42443372  0.09858202
   0.40146557  0.33004225  0.24244723
   0.09632306  0.15995927  0.49285874
   0.39169714  0.10144112  0.86246314
   0.15964466  0.37498072  0.62492909
   0.37540694  0.38931445  0.76692791
   0.16108850  0.70737930 -0.00861468
   0.41125472  0.58796625  0.37760142
   0.11663229  0.92589488  0.14564540
   0.34401556  0.85734194  0.27498587
   0.16086638  0.56761648  0.50004415
   0.38026732  0.67957856  0.83828712
   0.10772810  0.86348368  0.59279582
   0.40041175  0.94267476  0.67526175
   0.64193579  0.13266397  0.98136242
   0.85373335  0.14493357  0.34786510
   0.63083795  0.43886534  0.09826215
   0.88428001  0.35729536  0.18507362
   0.62530069  0.19587160  0.48607832
   0.92890753  0.13126028  0.87412149
   0.63183181  0.43413405  0.63589348
   0.81780742  0.39880441  0.81249543
   0.60193548  0.69654153 -0.01890039
   0.92254061  0.57804524  0.34617916
   0.59342031  0.89656041  0.13245325
   0.86449201  0.86628978  0.25133845
   0.68493576  0.67012132  0.47871955
   0.87007420  0.67835600  0.89543253
   0.69262460  0.92441064  0.59238162
   0.88103256  0.90548198  0.75108212
   0.17281524  0.07565371  0.10303628
   0.37833838  0.16992975  0.27673287
   0.19395701  0.33235937  0.00040088
   0.39418263  0.43498704  0.33758335
   0.55488911  0.34804291  0.17961992
   0.30944201  0.39629226  0.15897389
   0.23042570  0.15391031  0.43136088
  -0.03728327  0.20774603  0.42219619
   0.05067612 -0.01615998  0.50883209
   0.43575278  0.25041324  0.81838727
   0.08395840  0.22064477  0.60019742
   0.39592139  0.50069570  0.85019137
   0.48496697  0.43098963  0.68360281
   0.21996067  0.33902469  0.73491427
   0.25113895  0.10916092 -0.08181835
   0.00031753  0.14614551  0.97917172
   0.15021987  0.58552647  0.06975430
   0.39420847  0.70439152  0.29235835
   0.17128399  0.82742263  0.06563571
   0.37099672  0.92763433  0.37655666
   0.45618434  0.92615356  0.19431369
   0.18771536  0.89069741  0.24521021
   0.30677285  0.63120731  0.46401808
   0.05631297  0.54208792  0.40601279
   0.26184163  0.40017664  0.53064315
   0.34272585  0.72584607  0.72388285
   0.11341487  0.74191348  0.52451988
   0.38912871  0.96786207  0.79349782
   0.53778012  0.86544341  0.63413780
   0.24360344  0.94477723  0.63022745
   0.28949085  0.71881823 -0.06766022
   0.03380963  0.72589151  0.91927302
   0.66923238  0.05797576  0.08738778
   0.85026836  0.21403231  0.24092978
   0.60193250  0.30337704  0.00720125
   0.86251738  0.45080436  0.28603029
   0.05056620  0.36645472  0.17093443
   0.77588102  0.45881790  0.13000245
   0.70026851  0.20112600  0.38366390
   0.46776761  0.14921580  0.46488198
   0.69999064  0.07169983  0.54382568
   0.94432734  0.27713137  0.81612878
   0.62620974  0.34490404  0.53823104
   0.88589076  0.52386305  0.86473643
   1.07836454  0.52056510  0.60683394
   0.77182075  0.41977000  0.69350072
   0.76158521  0.10526016  0.90924045
   0.51486044  0.07410126  0.93838173
   0.55766560  0.56996759  0.05191996
   0.92869486  0.72092503  0.27802903
   0.57090676  0.84242829  0.02430256
   0.86940535  0.97195777  0.34220741
   0.94788961  0.93818356  0.16228811
   0.70464281  0.84246871  0.20853329
   0.82660591  0.60357719  0.44399723
   0.57612473  0.58878616  0.41676785
   0.62771779  0.60730139  0.59889633
   0.82845028  0.76852271  0.80539723
   0.65347946  0.83286981  0.47588119
   0.97107403  0.98780364  0.82410567
   0.98495352  0.85841965  0.66470118
   0.75887342  0.97646233  0.70122766
   0.76400976  0.67389196  0.97645933
   0.54204841  0.69795323  0.87500566
   0.77688961  0.80004888  0.59214836
   1.05214107  0.93023028  0.45391301
   0.90659358  0.31100327  0.07675155
   0.71166059  1.10995505  0.14504750
   0.44647402  0.09579875  0.64578695
   0.44947049  1.15398193  1.12075851
   0.53825667  1.34131918 -0.03514566
   0.38563550  1.11370814  0.10108523
   0.69332267  0.36314750  0.86552954
   0.58496542  0.69415574  0.62824666
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.866079   -0.002547   -0.026296
    -0.000000    9.639870    0.234781
    -0.000000    0.000000   14.023260
   Si   O    H 
    32    64    10
Direct configuration=  3322
   0.15853952  0.16885996  0.00302807
   0.36667662  0.08815004  0.38676066
   0.16544691  0.42458467  0.09808432
   0.40095038  0.33187323  0.24170093
   0.09470666  0.16121720  0.49348724
   0.39196582  0.10238027  0.86366357
   0.16020030  0.37637637  0.62462344
   0.37503457  0.38788214  0.76776112
   0.16163031  0.70775186 -0.00972962
   0.41154202  0.59011622  0.37824558
   0.11735928  0.92527339  0.14601767
   0.34414663  0.85612327  0.27451968
   0.16030055  0.56729175  0.50077254
   0.38124909  0.67869442  0.83813897
   0.10875479  0.86225132  0.59273965
   0.40119945  0.94264263  0.67582575
   0.64199769  0.13268593  0.98164729
   0.85435639  0.14605063  0.34752345
   0.63049021  0.43820368  0.09874363
   0.88510960  0.35830815  0.18609215
   0.62598175  0.19644734  0.48680249
   0.92976092  0.13090304  0.87378192
   0.63272220  0.43403012  0.63591665
   0.81798531  0.39809706  0.81142043
   0.60354424  0.69725540 -0.01908140
   0.92227577  0.57774840  0.34577440
   0.59231598  0.89627672  0.13212423
   0.86403537  0.86579782  0.25066761
   0.68449088  0.66912231  0.47892640
   0.86972876  0.67740193  0.89444349
   0.69283354  0.92418300  0.59174049
   0.88042203  0.90467047  0.75192137
   0.17227146  0.07408681  0.10431058
   0.37915649  0.17018131  0.27691022
   0.19387095  0.33278015  0.00089037
   0.39495968  0.43381535  0.33744625
   0.55417366  0.34867986  0.18010560
   0.30969050  0.39519392  0.15903896
   0.23070101  0.15516411  0.43296606
  -0.03822713  0.20650743  0.42271003
   0.05012034 -0.01458933  0.50867247
   0.43599144  0.25177732  0.81817847
   0.08218220  0.21998186  0.60082216
   0.39754333  0.50211496  0.85133139
   0.48462381  0.42924129  0.68384076
   0.21857168  0.34172564  0.73431921
   0.25109457  0.10957670 -0.08265777
  -0.00017657  0.14676173  0.97980298
   0.15114451  0.58564862  0.06986718
   0.39389158  0.70514456  0.29231312
   0.17224414  0.82565980  0.06552579
   0.37344418  0.92712951  0.37790682
   0.45648365  0.92609919  0.19523304
   0.18751992  0.89188248  0.24517113
   0.30755141  0.63061404  0.46344902
   0.05766284  0.54008725  0.40494683
   0.26153125  0.39951151  0.53026782
   0.34162014  0.72712919  0.72331442
   0.11357934  0.74269662  0.52459342
   0.38887943  0.96643641  0.79365826
   0.53909511  0.86564037  0.63421269
   0.24218175  0.94453384  0.63122585
   0.29008014  0.71946085 -0.06809165
   0.03263573  0.72561692  0.91838315
   0.67023690  0.05807127  0.08814160
   0.85022881  0.21313063  0.23980104
   0.60311167  0.30116389  0.00708298
   0.86331041  0.45120360  0.28568485
   0.05197125  0.36829835  0.17097702
   0.77515026  0.45918981  0.13028163
   0.69840080  0.19943285  0.38237246
   0.46875919  0.14684136  0.46474390
   0.69861979  0.07194204  0.54335466
   0.94393890  0.27552280  0.81649373
   0.62652046  0.34571345  0.53681590
   0.88703424  0.52368294  0.86566641
   1.07849976  0.52095811  0.60665704
   0.77286774  0.41919644  0.69385613
   0.76482014  0.10697396  0.91015249
   0.51443612  0.07476412  0.93848562
   0.55669656  0.57054290  0.05207398
   0.92966244  0.72092897  0.27663271
   0.57169519  0.84289816  0.02413287
   0.87038186  0.97180028  0.34082643
   0.94931843  0.93856493  0.16244456
   0.70508485  0.84340677  0.20795756
   0.82566916  0.60283182  0.44490294
   0.57642727  0.58877696  0.41650761
   0.62747727  0.60726362  0.59950061
   0.82793813  0.76923147  0.80416259
   0.65291897  0.83456826  0.47668708
   0.97156607  0.98681588  0.82319713
   0.98524761  0.85692888  0.66356101
   0.75771793  0.97592608  0.70030470
   0.76506022  0.67446067  0.97728672
   0.54173135  0.69767563  0.87595175
   0.77892758  0.79138163  0.59179214
   1.05229979  0.92192837  0.45078396
   0.89672450  0.30972153  0.07033010
   0.70996732  1.10928365  0.13387309
   0.43920896  0.09677573  0.63860750
   0.45712699  1.15265230  1.11990055
   0.53243197  1.34420993 -0.03987909
   0.38364975  1.10561127  0.09964377
   0.69990918  0.36647302  0.86402977
   0.57854589  0.69438788  0.62554665
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867470   -0.004103   -0.028109
    -0.000000    9.639054    0.235880
    -0.000000    0.000000   14.022233
   Si   O    H 
    32    64    10
Direct configuration=  3323
   0.15789758  0.16944839  0.00291754
   0.36607432  0.08976861  0.38686328
   0.16537761  0.42474489  0.09752693
   0.40077030  0.33391446  0.24118994
   0.09293665  0.16204441  0.49372217
   0.39181582  0.10254784  0.86440616
   0.16099558  0.37751479  0.62437431
   0.37420914  0.38679365  0.76870092
   0.16199239  0.70756739 -0.01039102
   0.41214956  0.59209370  0.37851190
   0.11771218  0.92517829  0.14603179
   0.34444031  0.85497690  0.27435033
   0.15937363  0.56675357  0.50140411
   0.38202950  0.67772784  0.83779930
   0.10944817  0.86127676  0.59312740
   0.40183919  0.94268196  0.67665287
   0.64243696  0.13251917  0.98185656
   0.85456758  0.14752244  0.34724431
   0.62950827  0.43816720  0.09966198
   0.88589684  0.35961017  0.18678314
   0.62630023  0.19658108  0.48768088
   0.93058024  0.13153275  0.87338184
   0.63379034  0.43411642  0.63586920
   0.81879457  0.39758963  0.81025682
   0.60505018  0.69775039 -0.01912120
   0.92274507  0.57717811  0.34561790
   0.59142020  0.89577184  0.13216489
   0.86326601  0.86530108  0.24996242
   0.68446517  0.66787005  0.47902264
   0.86933813  0.67723510  0.89364679
   0.69283377  0.92365524  0.59127622
   0.88025696  0.90397433  0.75227500
   0.17214109  0.07293994  0.10498155
   0.37934456  0.17044730  0.27743207
   0.19396366  0.33358766  0.00092920
   0.39468027  0.43250428  0.33769991
   0.55282358  0.34835456  0.18037844
   0.30962270  0.39360224  0.15961661
   0.23097076  0.15647515  0.43479049
  -0.03903640  0.20505046  0.42344821
   0.04879597 -0.01293629  0.50856770
   0.43690945  0.25270684  0.81830843
   0.08073192  0.22024373  0.60087538
   0.39858417  0.50473444  0.85169134
   0.48407892  0.42713017  0.68372017
   0.21882435  0.34399581  0.73373883
   0.25103647  0.10994569 -0.08289097
  -0.00043057  0.14693099  0.98037116
   0.15176232  0.58466237  0.06980372
   0.39316528  0.70586856  0.29177457
   0.17329421  0.82478913  0.06577313
   0.37600024  0.92713613  0.37880255
   0.45657528  0.92574445  0.19617925
   0.18812809  0.89307511  0.24546164
   0.30826805  0.62968174  0.46251234
   0.05985974  0.53820633  0.40467097
   0.26043862  0.39928341  0.53016790
   0.34119873  0.72785318  0.72330849
   0.11347619  0.74248527  0.52472100
   0.38876573  0.96575327  0.79361310
   0.53976889  0.86591677  0.63439722
   0.24119517  0.94353355  0.63240432
   0.29120482  0.72061084 -0.06942937
   0.03132147  0.72530341  0.91755882
   0.67005816  0.05674347  0.08831611
   0.85116256  0.21171223  0.23863378
   0.60409352  0.29957954  0.00705716
   0.86387903  0.45300432  0.28541959
   0.05410341  0.36953786  0.17100449
   0.77456798  0.45992791  0.13042713
   0.69677778  0.19858925  0.38118520
   0.46932350  0.14578604  0.46482601
   0.69775834  0.07227659  0.54264646
   0.94320400  0.27519718  0.81741042
   0.62628608  0.34619309  0.53530003
   0.88845385  0.52251380  0.86604810
   1.07856670  0.52127959  0.60663248
   0.77382530  0.41810014  0.69448050
   0.76849257  0.10831995  0.91101667
   0.51374279  0.07504613  0.93910058
   0.55582934  0.57124970  0.05207208
   0.93024517  0.72047177  0.27541830
   0.57250544  0.84406228  0.02402330
   0.87089916  0.97277221  0.33914925
   0.95109666  0.93813780  0.16246955
   0.70540975  0.84389313  0.20717374
   0.82496664  0.60237495  0.44516096
   0.57619690  0.58838180  0.41609554
   0.62787210  0.60681642  0.59954504
   0.82642478  0.77042582  0.80313695
   0.65307006  0.83579629  0.47727586
   0.97135075  0.98673420  0.82230383
   0.98554961  0.85627122  0.66278776
   0.75649534  0.97561550  0.69870511
   0.76635684  0.67572699  0.97782583
   0.54124357  0.69767580  0.87643876
   0.78466554  0.78480466  0.59178885
   1.05164307  0.92101879  0.44700989
   0.88726219  0.30824487  0.06410229
   0.71824020  1.11998518  0.13167918
   0.43448656  0.09292611  0.63524286
   0.45291267  1.14609004  1.11549867
   0.53174083  1.34224348 -0.04077243
   0.39871013  1.10758651  0.09859128
   0.69920317  0.36991182  0.86385709
   0.57097178  0.69888797  0.62422379
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.869080   -0.005370   -0.029742
    -0.000000    9.638496    0.236988
    -0.000000    0.000000   14.021345
   Si   O    H 
    32    64    10
Direct configuration=  3324
   0.15739424  0.16929817  0.00276345
   0.36504551  0.09188571  0.38683744
   0.16562948  0.42495504  0.09740589
   0.40078675  0.33642129  0.24112136
   0.09120614  0.16240470  0.49403246
   0.39200648  0.10304626  0.86495753
   0.16134254  0.37858152  0.62449854
   0.37380272  0.38579886  0.76964092
   0.16180549  0.70735689 -0.01082072
   0.41322257  0.59392626  0.37851493
   0.11743417  0.92513453  0.14583515
   0.34475897  0.85390930  0.27444178
   0.15928504  0.56543794  0.50164652
   0.38263740  0.67656847  0.83700220
   0.11057802  0.86083550  0.59391118
   0.40160438  0.94219491  0.67708186
   0.64362673  0.13206989  0.98229905
   0.85444768  0.14811172  0.34718123
   0.62822531  0.43841083  0.10026043
   0.88663076  0.36058950  0.18734817
   0.62695696  0.19627708  0.48828473
   0.93124507  0.13189515  0.87315130
   0.63502578  0.43384067  0.63611266
   0.82003889  0.39627083  0.80899063
   0.60627679  0.69832522 -0.01924608
   0.92285561  0.57584433  0.34569259
   0.59049691  0.89626635  0.13232017
   0.86197687  0.86534872  0.24898336
   0.68487824  0.66670798  0.47921225
   0.86956739  0.67703095  0.89317312
   0.69325347  0.92259277  0.59093509
   0.88011726  0.90371038  0.75233015
   0.17238200  0.07251039  0.10517037
   0.38000855  0.17021635  0.27802864
   0.19368697  0.33478185  0.00073790
   0.39430607  0.43178623  0.33756104
   0.55072740  0.34893325  0.18054436
   0.30899145  0.39256338  0.15972137
   0.23056955  0.15670933  0.43664078
  -0.04018758  0.20317608  0.42456710
   0.04844335 -0.01114334  0.50828485
   0.43750279  0.25302050  0.81898757
   0.07986243  0.22076185  0.60041079
   0.39898380  0.50665538  0.85192096
   0.48470484  0.42493787  0.68390788
   0.21959010  0.34608802  0.73295608
   0.25155696  0.11020172 -0.08275335
  -0.00064461  0.14568551  0.98108276
   0.15177474  0.58373150  0.06981759
   0.39296815  0.70462978  0.29103341
   0.17540081  0.82383215  0.06678466
   0.37887380  0.92670947  0.37980477
   0.45713312  0.92532342  0.19676394
   0.18852929  0.89427798  0.24592480
   0.30924559  0.62889662  0.46111336
   0.06198241  0.53607406  0.40478456
   0.25835435  0.39890225  0.53042317
   0.34162012  0.72789953  0.72349156
   0.11307156  0.74186450  0.52478344
   0.38833963  0.96591975  0.79359380
   0.54014747  0.86636088  0.63452058
   0.23996195  0.94243833  0.63374194
   0.29387430  0.72173767 -0.07076770
   0.02954822  0.72460601  0.91681907
   0.67098121  0.05588765  0.08875002
   0.85281001  0.20935455  0.23732097
   0.60407715  0.29847230  0.00652144
   0.86454432  0.45472611  0.28520103
   0.05564742  0.37085687  0.17093607
   0.77473558  0.46114679  0.13073741
   0.69569490  0.19801067  0.38085246
   0.47013408  0.14536009  0.46480737
   0.69724027  0.07199217  0.54240936
   0.94131424  0.27573909  0.81782141
   0.62602529  0.34587167  0.53444858
   0.88914299  0.52161868  0.86630659
   1.07820719  0.52166431  0.60595376
   0.77523360  0.41636594  0.69548471
   0.77246814  0.10996751  0.91154894
   0.51178091  0.07516285  0.93980235
   0.55544393  0.57222431  0.05173943
   0.93168448  0.71971867  0.27430188
   0.57314216  0.84548433  0.02437549
   0.87077995  0.97391787  0.33747017
   0.95251091  0.93780839  0.16195586
   0.70565834  0.84503031  0.20640225
   0.82520789  0.60220172  0.44498673
   0.57497580  0.58694002  0.41586913
   0.62822078  0.60613998  0.59924952
   0.82575536  0.77156639  0.80215904
   0.65309857  0.83704325  0.47760637
   0.97137220  0.98690114  0.82189965
   0.98555804  0.85489367  0.66273656
   0.75491828  0.97623015  0.69719411
   0.76828374  0.67674445  0.97800998
   0.54076292  0.69792374  0.87703445
   0.78996761  0.78197624  0.59600866
   1.04737282  0.93015361  0.44759071
   0.88072558  0.30619179  0.06019526
   0.72235948  1.12663041  0.12989634
   0.43011832  0.08479958  0.63315135
   0.45902155  1.14646131  1.11571470
   0.53587033  1.33149013 -0.03593707
   0.40409540  1.10114666  0.09229284
   0.69898144  0.37004416  0.86396711
   0.56390658  0.70666840  0.62262268
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870383   -0.006352   -0.031635
    -0.000000    9.638468    0.237932
    -0.000000    0.000000   14.019956
   Si   O    H 
    32    64    10
Direct configuration=  3325
   0.15649675  0.16867415  0.00252240
   0.36420239  0.09395381  0.38680089
   0.16682324  0.42481047  0.09738694
   0.40095471  0.33872997  0.24195283
   0.08943053  0.16301837  0.49380055
   0.39223408  0.10321867  0.86504196
   0.16181795  0.37947474  0.62467863
   0.37302442  0.38559209  0.77008613
   0.16089315  0.70704962 -0.01135456
   0.41453596  0.59532812  0.37850482
   0.11682447  0.92500293  0.14550056
   0.34506530  0.85321860  0.27449946
   0.15885177  0.56493681  0.50186008
   0.38338764  0.67534086  0.83614547
   0.11158354  0.86019191  0.59463084
   0.40096168  0.94210487  0.67772098
   0.64536783  0.13196638  0.98243077
   0.85360215  0.14869405  0.34721174
   0.62609649  0.43888692  0.10040501
   0.88781760  0.36124214  0.18828085
   0.62765039  0.19609967  0.48903426
   0.93174416  0.13202680  0.87328615
   0.63576494  0.43361688  0.63662441
   0.82153774  0.39492725  0.80750134
   0.60710872  0.69898538 -0.01967740
   0.92278611  0.57530669  0.34618167
   0.58939646  0.89690889  0.13233379
   0.86117744  0.86585548  0.24758085
   0.68569823  0.66549983  0.47923693
   0.87015327  0.67712083  0.89266053
   0.69374169  0.92114658  0.59042905
   0.88051508  0.90372288  0.75189868
   0.17273305  0.07315890  0.10534849
   0.38084948  0.17042478  0.27840841
   0.19433737  0.33657858  0.00127224
   0.39349758  0.43106314  0.33772642
   0.54834284  0.34907229  0.18130194
   0.30730218  0.39170288  0.16009834
   0.22936538  0.15646062  0.43840466
  -0.04112986  0.20182582  0.42587026
   0.04933825 -0.01036630  0.50746077
   0.43818486  0.25223353  0.82038399
   0.07970758  0.22133580  0.60022810
   0.39949722  0.50775470  0.85177585
   0.48500782  0.42313396  0.68388169
   0.22099380  0.34777392  0.73189171
   0.25144267  0.11053611 -0.08219147
  -0.00074559  0.14386963  0.98149583
   0.15289911  0.58318142  0.06995069
   0.39252292  0.70309961  0.29059095
   0.17655520  0.82334185  0.06804510
   0.38197178  0.92622469  0.38006773
   0.45763966  0.92488765  0.19742616
   0.18911890  0.89589933  0.24682361
   0.31075533  0.62836572  0.45955076
   0.06342129  0.53302115  0.40499464
   0.25689260  0.39835427  0.53059863
   0.34235875  0.72846132  0.72425061
   0.11283299  0.74109085  0.52479127
   0.38749041  0.96620342  0.79360822
   0.53993526  0.86624844  0.63466275
   0.23915866  0.94176569  0.63485607
   0.29671698  0.72306496 -0.07201310
   0.02729590  0.72378709  0.91592820
   0.67253605  0.05594666  0.08900410
   0.85415278  0.20732479  0.23586798
   0.60382038  0.29697212  0.00670175
   0.86536706  0.45623132  0.28513956
   0.05561766  0.37156430  0.17068937
   0.77562653  0.46254903  0.13067721
   0.69564566  0.19761132  0.38070410
   0.47072235  0.14565869  0.46456893
   0.69745896  0.07172579  0.54295910
   0.93970961  0.27733370  0.81842791
   0.62554764  0.34637204  0.53346899
   0.88907329  0.51981029  0.86620825
   1.07757468  0.52224149  0.60545201
   0.77713597  0.41472783  0.69695846
   0.77537963  0.11112902  0.91166401
   0.51002935  0.07609548  0.94080494
   0.55553751  0.57274253  0.05132163
   0.93336034  0.71825998  0.27413923
   0.57406211  0.84653047  0.02547933
   0.87062405  0.97474059  0.33677108
   0.95415342  0.93783191  0.16183597
   0.70585059  0.84584479  0.20555165
   0.82586899  0.60201449  0.44507889
   0.57335101  0.58534084  0.41553660
   0.62890107  0.60621245  0.59819319
   0.82475485  0.77176498  0.80174627
   0.65321907  0.83794582  0.47769931
   0.97167177  0.98769810  0.82197668
   0.98480575  0.85365241  0.66298539
   0.75386186  0.97665239  0.69615483
   0.76994696  0.67882186  0.97851331
   0.54004645  0.69749768  0.87740445
   0.79306352  0.78585419  0.59975826
   1.04454969  0.94269145  0.45359839
   0.87671054  0.30570323  0.05832555
   0.71912561  1.12492867  0.12568832
   0.42724874  0.07833441  0.63245116
   0.46496618  1.14701969  1.11675375
   0.53197156  1.32088056 -0.03850682
   0.41274803  1.09898648  0.08755994
   0.69404772  0.36955277  0.86322826
   0.56261418  0.71331956  0.61994953
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871355   -0.006869   -0.033518
    -0.000000    9.638728    0.239381
    -0.000000    0.000000   14.018438
   Si   O    H 
    32    64    10
Direct configuration=  3326
   0.15600552  0.16814886  0.00205786
   0.36420998  0.09616458  0.38725049
   0.16784169  0.42476295  0.09748758
   0.40142473  0.34117103  0.24294863
   0.08770899  0.16442704  0.49375477
   0.39256156  0.10252373  0.86457066
   0.16234026  0.37961265  0.62519691
   0.37269942  0.38554787  0.77044015
   0.16012725  0.70596902 -0.01204547
   0.41639376  0.59673112  0.37894288
   0.11617421  0.92474099  0.14516731
   0.34517380  0.85295302  0.27469250
   0.15916732  0.56584812  0.50193505
   0.38441018  0.67439748  0.83506549
   0.11187804  0.85967726  0.59554630
   0.40074438  0.94192708  0.67789331
   0.64662233  0.13212133  0.98245955
   0.85315567  0.14871710  0.34736633
   0.62400766  0.43876548  0.10061223
   0.88940331  0.36217016  0.18924525
   0.62840926  0.19582157  0.48927130
   0.93079087  0.13176422  0.87362744
   0.63620412  0.43370938  0.63674138
   0.82241940  0.39411008  0.80664864
   0.60821850  0.69999324 -0.01970948
   0.92274639  0.57517074  0.34739347
   0.58854102  0.89776672  0.13222248
   0.86100108  0.86718841  0.24623772
   0.68577232  0.66491069  0.47963519
   0.87099791  0.67719005  0.89189631
   0.69467924  0.91964154  0.58973937
   0.88135773  0.90369260  0.75137250
   0.17251886  0.07459806  0.10499083
   0.38216486  0.17111198  0.27918275
   0.19491302  0.33794884  0.00140986
   0.39240444  0.43077042  0.33791861
   0.54554870  0.35013735  0.18237713
   0.30534567  0.39107844  0.15996799
   0.22759386  0.15654663  0.44021317
  -0.04137934  0.19993974  0.42664191
   0.04957020 -0.00802684  0.50800618
   0.43879456  0.25143615  0.82138942
   0.07998565  0.22248589  0.60009216
   0.39934085  0.50865880  0.85186624
   0.48604005  0.42135292  0.68365559
   0.22223890  0.34933919  0.73092490
   0.25132500  0.11112483 -0.08175368
  -0.00058851  0.14254469  0.98168438
   0.15451295  0.58284978  0.07014353
   0.39236296  0.70147375  0.29069818
   0.17706570  0.82360427  0.06959854
   0.38439618  0.92608848  0.38034954
   0.45776383  0.92464784  0.19757733
   0.18908983  0.89818418  0.24769263
   0.31140820  0.62814137  0.45817533
   0.06483328  0.53000454  0.40491121
   0.25608015  0.39893076  0.53090340
   0.34295277  0.72895883  0.72551876
   0.11285274  0.74017021  0.52464901
   0.38695801  0.96730661  0.79399614
   0.53935484  0.86532219  0.63543655
   0.23864491  0.94071215  0.63599902
   0.29903886  0.72456988 -0.07390613
   0.02672796  0.72323292  0.91494496
   0.67371360  0.05523809  0.08945689
   0.85525386  0.20519965  0.23470681
   0.60431163  0.29639116  0.00738127
   0.86625453  0.45698710  0.28484421
   0.05529155  0.37131130  0.17072573
   0.77586331  0.46317837  0.13070322
   0.69533687  0.19705856  0.38039307
   0.47134783  0.14713937  0.46423269
   0.69732616  0.07163981  0.54418059
   0.93885860  0.27898672  0.81929105
   0.62584052  0.34761972  0.53269032
   0.88861176  0.51893703  0.86654374
   1.07669379  0.52293017  0.60474544
   0.77791385  0.41326650  0.69780247
   0.77657967  0.11213835  0.91227290
   0.50857496  0.07661202  0.94179808
   0.55567794  0.57349426  0.05062911
   0.93491011  0.71660627  0.27393107
   0.57539269  0.84731064  0.02625156
   0.87035985  0.97470583  0.33632746
   0.95574721  0.93811278  0.16150843
   0.70693868  0.84645517  0.20502173
   0.82679628  0.60260556  0.44469887
   0.57182457  0.58477066  0.41448452
   0.63075403  0.60683885  0.59691238
   0.82329272  0.77180809  0.80178705
   0.65405362  0.83855320  0.47813309
   0.97190781  0.98928595  0.82269292
   0.98338459  0.85162878  0.66411516
   0.75250341  0.97695087  0.69550322
   0.77141309  0.68059578  0.97952842
   0.53916963  0.69707678  0.87746977
   0.79348913  0.79459378  0.60276947
   1.04123196  0.94199169  0.44456707
   0.87460069  0.30473820  0.05992115
   0.71868203  1.12453510  0.12667264
   0.42306010  0.07469367  0.63229484
   0.47125626  1.14477015  1.11839699
   0.52729636  1.31145370 -0.04690539
   0.42349013  1.09889551  0.08431423
   0.69539396  0.36880014  0.85758538
   0.56739218  0.71868354  0.61699734
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.871982   -0.007844   -0.036241
    -0.000000    9.639207    0.240958
    -0.000000    0.000000   14.017148
   Si   O    H 
    32    64    10
Direct configuration=  3327
   0.15603819  0.16783935  0.00189208
   0.36424525  0.09817137  0.38767830
   0.16871952  0.42475844  0.09802037
   0.40225000  0.34328732  0.24404277
   0.08645128  0.16550958  0.49390472
   0.39267461  0.10192068  0.86366593
   0.16197639  0.38014811  0.62500548
   0.37321099  0.38587871  0.77074502
   0.15972498  0.70546263 -0.01278841
   0.41867337  0.59758780  0.37903241
   0.11578539  0.92530715  0.14533083
   0.34601956  0.85318374  0.27467239
   0.15973773  0.56696880  0.50190369
   0.38501364  0.67352086  0.83366305
   0.11214303  0.85928200  0.59663328
   0.40063665  0.94180833  0.67822138
   0.64833005  0.13168512  0.98224323
   0.85239195  0.14849981  0.34706158
   0.62161065  0.43845286  0.10055921
   0.89035413  0.36291171  0.19013703
   0.62836247  0.19564274  0.48955155
   0.92993556  0.13136124  0.87380072
   0.63652029  0.43342393  0.63672076
   0.82283866  0.39365637  0.80687701
   0.60914944  0.70087452 -0.01969721
   0.92348127  0.57483615  0.34886926
   0.58803409  0.89857338  0.13224861
   0.86139631  0.86863884  0.24536977
   0.68610467  0.66453723  0.48001167
   0.87222166  0.67786290  0.89072649
   0.69554225  0.91747118  0.58923895
   0.88231892  0.90373587  0.75064590
   0.17245686  0.07651379  0.10478896
   0.38333560  0.17152239  0.28001368
   0.19528417  0.33923875  0.00221682
   0.39184196  0.43140888  0.33794752
   0.54314893  0.35137208  0.18361715
   0.30359061  0.39050644  0.15926371
   0.22631561  0.15588836  0.44125387
  -0.04198669  0.19819337  0.42664006
   0.05006140 -0.00592379  0.50798663
   0.43901421  0.25093476  0.82212600
   0.08059314  0.22388291  0.60004670
   0.39888311  0.50828253  0.85134966
   0.48656002  0.41866838  0.68374940
   0.22267285  0.35060136  0.73105538
   0.25132600  0.11087773 -0.08171968
  -0.00038532  0.14138853  0.98154223
   0.15551754  0.58178195  0.07075418
   0.39111154  0.69928911  0.29056635
   0.17718623  0.82413202  0.07068596
   0.38628803  0.92614801  0.38041607
   0.45860060  0.92438944  0.19755867
   0.18970772  0.90043543  0.24837652
   0.31227338  0.62775864  0.45688195
   0.06514784  0.52763378  0.40506304
   0.25499125  0.39994748  0.53192276
   0.34317243  0.72959696  0.72635273
   0.11241957  0.73875477  0.52403457
   0.38677789  0.96896886  0.79430184
   0.53896458  0.86396119  0.63602410
   0.23853771  0.94013709  0.63739676
   0.30100379  0.72670770 -0.07562111
   0.02621554  0.72238006  0.91442746
   0.67432296  0.05421718  0.08975908
   0.85575603  0.20321283  0.23326698
   0.60456573  0.29584982  0.00738072
   0.86719400  0.45692646  0.28479800
   0.05522776  0.37021730  0.17067193
   0.77604169  0.46383349  0.13102440
   0.69596926  0.19605726  0.37954177
   0.47275175  0.14906727  0.46330956
   0.69720113  0.07176116  0.54527539
   0.93902322  0.28032498  0.82047100
   0.62640399  0.34815556  0.53268516
   0.88826293  0.51776604  0.86662364
   1.07576002  0.52375778  0.60456943
   0.77784448  0.41232935  0.69798572
   0.77735244  0.11321723  0.91267588
   0.50802227  0.07746236  0.94320461
   0.55671755  0.57420021  0.05001494
   0.93668594  0.71486996  0.27424084
   0.57555423  0.84789730  0.02663624
   0.86996967  0.97548358  0.33548563
   0.95677216  0.93759171  0.16109068
   0.70882012  0.84684223  0.20373516
   0.82721006  0.60254631  0.44341596
   0.57049214  0.58478582  0.41337866
   0.63260104  0.60735790  0.59565712
   0.82140479  0.77092685  0.80249094
   0.65547683  0.83911194  0.47805619
   0.97171078  0.99133969  0.82323974
   0.98209550  0.85019585  0.66523248
   0.75222306  0.97694460  0.69532422
   0.77195776  0.68206386  0.98060113
   0.53874639  0.69694619  0.87732317
   0.79188875  0.80396255  0.60689934
   1.03872029  0.94273802  0.43714219
   0.87493275  0.30542570  0.06286156
   0.71975063  1.13067486  0.13167246
   0.41869716  0.07633826  0.63249399
   0.47222988  1.14083741  1.11877053
   0.52716682  1.30598985 -0.05108443
   0.43384402  1.10435289  0.08364911
   0.69567965  0.36767140  0.85177434
   0.57054226  0.72056524  0.61578952
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872396   -0.008752   -0.039281
    -0.000000    9.639666    0.242075
    -0.000000    0.000000   14.015816
   Si   O    H 
    32    64    10
Direct configuration=  3328
   0.15651521  0.16771626  0.00199937
   0.36485938  0.09965960  0.38795849
   0.16964188  0.42533377  0.09869171
   0.40294646  0.34544214  0.24501501
   0.08512067  0.16634893  0.49403170
   0.39225408  0.10133304  0.86294770
   0.16138351  0.38061363  0.62450983
   0.37427809  0.38629222  0.77103764
   0.15957762  0.70500398 -0.01324416
   0.42075256  0.59806900  0.37889998
   0.11557241  0.92647924  0.14539752
   0.34667795  0.85316115  0.27414708
   0.16062433  0.56771368  0.50193778
   0.38537654  0.67318588  0.83264251
   0.11280740  0.85828441  0.59758529
   0.40102568  0.94152104  0.67880820
   0.65086067  0.13157050  0.98180466
   0.85187985  0.14830648  0.34691704
   0.61958678  0.43820720  0.10022626
   0.89178981  0.36364074  0.19067115
   0.62805082  0.19610511  0.48999210
   0.92852769  0.13070149  0.87405030
   0.63642812  0.43366162  0.63655328
   0.82318091  0.39344743  0.80740179
   0.60985938  0.70210410 -0.01998818
   0.92442527  0.57501008  0.35051577
   0.58766194  0.89944002  0.13285382
   0.86179927  0.87065125  0.24461811
   0.68643463  0.66453213  0.48016169
   0.87319530  0.67827208  0.88986459
   0.69622881  0.91503440  0.58874886
   0.88316300  0.90383999  0.74901745
   0.17250810  0.07954654  0.10426332
   0.38470297  0.17257110  0.28056970
   0.19531519  0.34031757  0.00289256
   0.39118914  0.43289315  0.33767838
   0.54146033  0.35287230  0.18477887
   0.30182436  0.39052912  0.15865229
   0.22591073  0.15496608  0.44170873
  -0.04342714  0.19618310  0.42678691
   0.05107130 -0.00481313  0.50791831
   0.43960728  0.25111937  0.82208409
   0.08038641  0.22536061  0.59994281
   0.39842618  0.50729426  0.85064079
   0.48691836  0.41658194  0.68393829
   0.22359721  0.35173358  0.73069140
   0.25107130  0.11114976 -0.08189727
  -0.00027960  0.14047639  0.98067688
   0.15569800  0.58033624  0.07114428
   0.39006335  0.69719511  0.29007542
   0.17782218  0.82435167  0.07147586
   0.38766355  0.92711129  0.38008910
   0.45986943  0.92427244  0.19727492
   0.19028296  0.90224644  0.24950321
   0.31299467  0.62766330  0.45616126
   0.06513937  0.52548093  0.40530629
   0.25378775  0.40152973  0.53233959
   0.34408739  0.72926843  0.72705944
   0.11228451  0.73846487  0.52321919
   0.38664468  0.97019846  0.79464946
   0.53836549  0.86224458  0.63642700
   0.23849584  0.93975400  0.63840064
   0.30218709  0.72824014 -0.07672906
   0.02601546  0.72123438  0.91429848
   0.67615241  0.05249408  0.09046159
   0.85588376  0.20183352  0.23199315
   0.60406855  0.29602358  0.00687941
   0.86884525  0.45609537  0.28470440
   0.05553615  0.36910270  0.17068297
   0.77672178  0.46384382  0.13060254
   0.69669113  0.19544001  0.37922033
   0.47474342  0.15076831  0.46309356
   0.69737457  0.07170387  0.54640509
   0.93963448  0.28097865  0.82157329
   0.62677935  0.34838761  0.53323089
   0.88809964  0.51630058  0.86621912
   1.07447992  0.52424043  0.60475678
   0.77749882  0.41120952  0.69883217
   0.77788242  0.11405592  0.91268517
   0.50797104  0.07821595  0.94451065
   0.55813339  0.57496145  0.04975112
   0.93789621  0.71355081  0.27433324
   0.57487542  0.84788255  0.02675721
   0.87023287  0.97626241  0.33480241
   0.95748430  0.93662006  0.16046459
   0.71010945  0.84657777  0.20206849
   0.82746579  0.60299264  0.44158373
   0.56974551  0.58527018  0.41219845
   0.63465684  0.60868331  0.59386370
   0.81924707  0.76952695  0.80333978
   0.65669470  0.83966591  0.47788062
   0.97167942  0.99368512  0.82409973
   0.98103326  0.84924219  0.66677233
   0.75242205  0.97680095  0.69566543
   0.77167916  0.68364312  0.98118715
   0.53872498  0.69701509  0.87768100
   0.79038581  0.80998199  0.60914274
   1.04144179  0.94470930  0.43732906
   0.87656708  0.30372284  0.06480673
   0.71077642  1.13196766  0.13647862
   0.41808039  0.07855889  0.63148312
   0.47957616  1.13966095  1.12367015
   0.53390025  1.30619094 -0.04793153
   0.43680542  1.10440355  0.08143168
   0.69460026  0.36729914  0.84732829
   0.57688208  0.72221442  0.61800303
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872476   -0.010596   -0.042556
    -0.000000    9.640485    0.243394
    -0.000000    0.000000   14.015048
   Si   O    H 
    32    64    10
Direct configuration=  3329
   0.15744972  0.16770262  0.00238720
   0.36555912  0.10115254  0.38831715
   0.17003738  0.42533990  0.09907099
   0.40294311  0.34736981  0.24598439
   0.08418184  0.16655510  0.49435985
   0.39160906  0.10058852  0.86258430
   0.16014524  0.38112734  0.62415236
   0.37506925  0.38639708  0.77116937
   0.15958468  0.70429978 -0.01329359
   0.42260510  0.59731776  0.37875234
   0.11553191  0.92775554  0.14538915
   0.34709423  0.85365011  0.27394764
   0.16193404  0.56871759  0.50204859
   0.38569488  0.67348304  0.83160063
   0.11313294  0.85748374  0.59859462
   0.40060897  0.94118432  0.67997388
   0.65336196  0.13193743  0.98142951
   0.85142175  0.14824496  0.34643336
   0.61828221  0.43740427  0.09932944
   0.89358754  0.36491103  0.19103470
   0.62695804  0.19745367  0.48946068
   0.92758261  0.13044676  0.87471021
   0.63582193  0.43402138  0.63596910
   0.82398962  0.39342087  0.80818608
   0.61044401  0.70277001 -0.02039640
   0.92506064  0.57515604  0.35190698
   0.58769280  0.90044311  0.13360412
   0.86233772  0.87213071  0.24421122
   0.68648862  0.66469995  0.47975689
   0.87413878  0.67793208  0.88902923
   0.69606147  0.91271757  0.58828535
   0.88335386  0.90356886  0.74793809
   0.17198914  0.08320292  0.10373306
   0.38587675  0.17385964  0.28148587
   0.19499184  0.34105524  0.00287256
   0.39035478  0.43465765  0.33693566
   0.53936539  0.35376453  0.18596157
   0.30039514  0.38947578  0.15875114
   0.22507804  0.15377442  0.44181371
  -0.04394504  0.19418554  0.42659660
   0.05167210 -0.00431116  0.50779012
   0.43998798  0.25067674  0.82239389
   0.08082513  0.22697837  0.60035775
   0.39751722  0.50634405  0.84983526
   0.48736331  0.41464263  0.68437129
   0.22467224  0.35316009  0.73003144
   0.25070758  0.11196713 -0.08197562
   0.00015454  0.13984941  0.97962158
   0.15640782  0.57940141  0.07068692
   0.38843518  0.69534498  0.28897087
   0.17806888  0.82456911  0.07199396
   0.38873285  0.92836421  0.37879413
   0.46130973  0.92346985  0.19703667
   0.19085183  0.90362942  0.25054765
   0.31394435  0.62648694  0.45543715
   0.06581208  0.52399722  0.40525882
   0.25194350  0.40371386  0.53292416
   0.34422227  0.72873623  0.72805938
   0.11200664  0.73819689  0.52226279
   0.38657173  0.97132382  0.79489220
   0.53786106  0.86088916  0.63661899
   0.23862945  0.93967854  0.63919470
   0.30226905  0.72987728 -0.07795036
   0.02609321  0.72017515  0.91491227
   0.67829763  0.05073393  0.09143642
   0.85552379  0.20103932  0.23082745
   0.60396132  0.29588671  0.00651668
   0.86996604  0.45496296  0.28524275
   0.05460133  0.36880136  0.17062450
   0.77669415  0.46408260  0.12977895
   0.69754489  0.19536806  0.37925105
   0.47664817  0.15272885  0.46262174
   0.69773650  0.07084040  0.54689404
   0.94018443  0.28067914  0.82232468
   0.62803945  0.34902860  0.53369645
   0.88753267  0.51539909  0.86603054
   1.07407931  0.52369353  0.60519197
   0.77645321  0.41081506  0.69915426
   0.77782793  0.11558236  0.91302767
   0.50823604  0.07905592  0.94537700
   0.55907727  0.57477104  0.04939632
   0.93829006  0.71155868  0.27507987
   0.57447644  0.84785343  0.02706152
   0.87036944  0.97743965  0.33465507
   0.95801896  0.93493882  0.16019927
   0.71031883  0.84572716  0.20024073
   0.82730461  0.60298208  0.43972281
   0.56948186  0.58602012  0.41156656
   0.63643586  0.61073634  0.59242082
   0.81756745  0.76885049  0.80423218
   0.65813263  0.84020441  0.47751235
   0.97212218  0.99545939  0.82469839
   0.98053712  0.84855732  0.66826499
   0.75254664  0.97649852  0.69694348
   0.77156301  0.68545593  0.98128094
   0.53930441  0.69799756  0.87799634
   0.79399560  0.80926253  0.60970944
   1.04554196  0.94981829  0.44623628
   0.87755816  0.30282412  0.06837059
   0.69813449  1.12348894  0.13510222
   0.41867212  0.08224932  0.63089384
   0.48124722  1.13539603  1.12561252
   0.54460907  1.31175447 -0.04366497
   0.44443773  1.10657615  0.08719512
   0.69055990  0.36677304  0.84619929
   0.57950577  0.72620747  0.62266685
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872431   -0.012239   -0.045913
    -0.000000    9.641144    0.244810
    -0.000000    0.000000   14.014028
   Si   O    H 
    32    64    10
Direct configuration=  3330
   0.15824955  0.16777640  0.00307803
   0.36612618  0.10208264  0.38869028
   0.17068213  0.42488999  0.09992677
   0.40312838  0.34916832  0.24703532
   0.08272625  0.16706306  0.49436604
   0.39099315  0.09964335  0.86224854
   0.15884094  0.38150476  0.62380344
   0.37523841  0.38646892  0.77142797
   0.15947572  0.70333104 -0.01335737
   0.42387257  0.59636491  0.37840645
   0.11614928  0.92909785  0.14534928
   0.34762793  0.85477768  0.27362606
   0.16323284  0.56888826  0.50156948
   0.38622235  0.67359595  0.83070014
   0.11361988  0.85662538  0.59956535
   0.39972730  0.94068536  0.68087471
   0.65488099  0.13206980  0.98103634
   0.85101047  0.14798313  0.34589832
   0.61728353  0.43676603  0.09830754
   0.89514820  0.36594134  0.19112231
   0.62672467  0.19832332  0.48894571
   0.92664915  0.13038462  0.87587979
   0.63512948  0.43431430  0.63548216
   0.82410893  0.39311656  0.80882784
   0.61085297  0.70321262 -0.02076636
   0.92632380  0.57553092  0.35302038
   0.58761761  0.90125600  0.13391167
   0.86358686  0.87231550  0.24386244
   0.68611993  0.66467786  0.47893030
   0.87527754  0.67695072  0.88856740
   0.69591812  0.91109399  0.58818265
   0.88318249  0.90302810  0.74694615
   0.17217398  0.08625683  0.10324424
   0.38746898  0.17574339  0.28211393
   0.19496485  0.34084504  0.00239486
   0.39007828  0.43592481  0.33698291
   0.53828439  0.35383619  0.18671383
   0.29916102  0.38790557  0.15861489
   0.22489658  0.15211725  0.44164253
  -0.04431890  0.19298064  0.42706133
   0.05318623 -0.00487910  0.50814269
   0.44035988  0.25014780  0.82259382
   0.08067827  0.22886040  0.60058939
   0.39712249  0.50606734  0.84915064
   0.48794297  0.41303596  0.68452355
   0.22677043  0.35516602  0.72946658
   0.25033388  0.11267087 -0.08197357
   0.00029076  0.13910751  0.97903569
   0.15690659  0.57908632  0.07008681
   0.38684887  0.69405101  0.28767970
   0.17770553  0.82518020  0.07202352
   0.38963930  0.92927388  0.37748540
   0.46178189  0.92270953  0.19720727
   0.19096405  0.90477771  0.25141674
   0.31395550  0.62575826  0.45464693
   0.06683203  0.52307569  0.40491406
   0.24998100  0.40585214  0.53368968
   0.34447433  0.72835557  0.72839810
   0.11095100  0.73824729  0.52134919
   0.38623898  0.97215875  0.79579669
   0.53736681  0.85901168  0.63713064
   0.23920404  0.94009835  0.64010617
   0.30117624  0.73107112 -0.07879025
   0.02602892  0.71921198  0.91639610
   0.68021451  0.04902659  0.09168693
   0.85523074  0.20172514  0.22916763
   0.60459235  0.29661873  0.00677185
   0.87026435  0.45473826  0.28565243
   0.05308387  0.36985597  0.17062144
   0.77617689  0.46397583  0.12907242
   0.69910660  0.19565600  0.37916484
   0.47830926  0.15373621  0.46188703
   0.69766124  0.07141482  0.54717601
   0.94090795  0.27991225  0.82289446
   0.62976189  0.34934090  0.53378573
   0.88751240  0.51503361  0.86594758
   1.07378627  0.52329258  0.60584797
   0.77507082  0.41140307  0.69912577
   0.77686448  0.11651216  0.91352950
   0.50912143  0.07972947  0.94572575
   0.56088508  0.57523388  0.04910679
   0.93843679  0.71070699  0.27586220
   0.57352174  0.84748834  0.02744236
   0.87066056  0.97889320  0.33419955
   0.95874263  0.93314454  0.15944799
   0.71084933  0.84466893  0.19815964
   0.82667383  0.60387775  0.43863017
   0.57032718  0.58668655  0.41147658
   0.63844665  0.61202134  0.59062214
   0.81585027  0.76890771  0.80502476
   0.66005999  0.83982854  0.47713359
   0.97209643  0.99704819  0.82518131
   0.97995869  0.84795406  0.66937550
   0.75258929  0.97584401  0.69795648
   0.77191188  0.68659106  0.98157908
   0.54102720  0.69965749  0.87819813
   0.80263693  0.80700279  0.60778500
   1.04599791  0.95423749  0.45474188
   0.87671074  0.30141879  0.07031628
   0.69307823  1.11838857  0.13950416
   0.41986416  0.08288188  0.63173260
   0.48112337  1.13319156  1.12891384
   0.54326470  1.31997719 -0.04698184
   0.44830943  1.10842065  0.08832453
   0.68488851  0.36143262  0.84726352
   0.58096586  0.72964385  0.62704091
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872649   -0.013742   -0.049041
    -0.000000    9.641824    0.245951
    -0.000000    0.000000   14.013171
   Si   O    H 
    32    64    10
Direct configuration=  3331
   0.15945505  0.16829608  0.00413432
   0.36657851  0.10296229  0.38939516
   0.17150497  0.42467642  0.10094473
   0.40343690  0.35024551  0.24805326
   0.08161126  0.16781126  0.49417435
   0.39056149  0.09872260  0.86233375
   0.15713615  0.38105621  0.62373095
   0.37597174  0.38731179  0.77128765
   0.15988658  0.70302920 -0.01325510
   0.42475786  0.59559363  0.37793999
   0.11702610  0.93075178  0.14515011
   0.34841390  0.85540580  0.27347517
   0.16451707  0.56853399  0.50110498
   0.38642872  0.67364050  0.83005043
   0.11294750  0.85611071  0.60057067
   0.39925431  0.94032486  0.68201814
   0.65664391  0.13236579  0.98049425
   0.85063363  0.14767438  0.34523710
   0.61686339  0.43735009  0.09762756
   0.89613878  0.36766532  0.19097668
   0.62684209  0.19885417  0.48791551
   0.92554619  0.13083163  0.87727232
   0.63439784  0.43504011  0.63493703
   0.82375813  0.39346192  0.80968438
   0.61197898  0.70418065 -0.02126729
   0.92849605  0.57627062  0.35378933
   0.58808485  0.90187006  0.13419386
   0.86421774  0.87166624  0.24364029
   0.68559998  0.66516543  0.47806573
   0.87622654  0.67605859  0.88817122
   0.69519787  0.91050326  0.58779485
   0.88274569  0.90274970  0.74600864
   0.17210107  0.08801678  0.10292689
   0.38865932  0.17808870  0.28247094
   0.19421567  0.34022446  0.00174677
   0.38971576  0.43760935  0.33740170
   0.53853329  0.35398768  0.18700093
   0.29803459  0.38642124  0.15909005
   0.22510478  0.15043873  0.44118527
  -0.04445562  0.19229112  0.42749977
   0.05481753 -0.00387335  0.50991195
   0.43986644  0.24920514  0.82244898
   0.08096550  0.23095525  0.60113332
   0.39587180  0.50612305  0.84814605
   0.48828125  0.41203842  0.68441591
   0.22860563  0.35735263  0.72885400
   0.25021670  0.11281748 -0.08220039
   0.00041011  0.13830745  0.97819857
   0.15714936  0.57889550  0.06914418
   0.38558135  0.69361981  0.28597210
   0.17708503  0.82448168  0.07160765
   0.39052790  0.92967024  0.37655643
   0.46175163  0.92208658  0.19777528
   0.19176966  0.90547225  0.25170245
   0.31344356  0.62562205  0.45441473
   0.06736587  0.52163645  0.40511983
   0.24865472  0.40867665  0.53368595
   0.34485605  0.72688268  0.72840302
   0.11050438  0.73832065  0.52032793
   0.38600628  0.97300331  0.79696431
   0.53702429  0.85663357  0.63740851
   0.24083610  0.94075685  0.64081665
   0.29952757  0.73153232 -0.07898985
   0.02647031  0.71857221  0.91796714
   0.68162033  0.04704066  0.09145731
   0.85590445  0.20208530  0.22796915
   0.60517455  0.29676768  0.00690084
   0.87074872  0.45525884  0.28606740
   0.05185882  0.37046337  0.17130663
   0.77535073  0.46416481  0.12859073
   0.70050423  0.19625858  0.37909880
   0.47963500  0.15465674  0.46159378
   0.69750910  0.07251316  0.54697275
   0.94104332  0.27846199  0.82253151
   0.63148646  0.34998845  0.53403982
   0.88793062  0.51591260  0.86592989
   1.07423058  0.52301290  0.60693825
   0.77355659  0.41225545  0.69871570
   0.77535673  0.11680541  0.91435431
   0.51034853  0.08025673  0.94602675
   0.56160184  0.57501028  0.04899692
   0.93875553  0.71062376  0.27644102
   0.57261699  0.84759317  0.02796985
   0.87077905  0.97996318  0.33436976
   0.95896290  0.93123342  0.15898708
   0.71126739  0.84350275  0.19711664
   0.82594287  0.60447638  0.43780773
   0.57209668  0.58711733  0.41131845
   0.64030244  0.61291624  0.58849818
   0.81465567  0.76871931  0.80545650
   0.66266058  0.83916935  0.47708131
   0.97233914  0.99785521  0.82558425
   0.98001797  0.84721858  0.67029705
   0.75265426  0.97577255  0.69902989
   0.77211279  0.68861308  0.98085487
   0.54224241  0.70101072  0.87825879
   0.80336831  0.79989735  0.60370947
   1.04416935  0.94150776  0.43976197
   0.87583316  0.30046867  0.07172619
   0.69242044  1.11876908  0.15068639
   0.41930136  0.07909017  0.63512520
   0.47953332  1.13428124  1.13810822
   0.54036175  1.33155506 -0.04885694
   0.44415447  1.11375751  0.08866112
   0.68675738  0.35430923  0.84848076
   0.58156787  0.73226530  0.63042198
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873280   -0.014765   -0.051930
    -0.000000    9.642276    0.246637
    -0.000000    0.000000   14.012029
   Si   O    H 
    32    64    10
Direct configuration=  3332
   0.16001559  0.16945250  0.00490103
   0.36662589  0.10356512  0.38989699
   0.17210210  0.42420411  0.10133587
   0.40301081  0.35017448  0.24882997
   0.08108829  0.16854943  0.49406889
   0.39003366  0.09788188  0.86282666
   0.15522474  0.38015251  0.62375969
   0.37679582  0.38837134  0.77070765
   0.16003453  0.70323322 -0.01297184
   0.42484566  0.59398847  0.37695775
   0.11795705  0.93253056  0.14566750
   0.34901742  0.85669241  0.27334234
   0.16526350  0.56890555  0.50079470
   0.38693553  0.67408793  0.82941281
   0.11241730  0.85561672  0.60140192
   0.39908885  0.93980826  0.68255273
   0.65805762  0.13262994  0.98009129
   0.84994134  0.14752506  0.34490288
   0.61653482  0.43847637  0.09742509
   0.89692831  0.36917477  0.19069350
   0.62772596  0.19939555  0.48696920
   0.92464267  0.13128852  0.87840362
   0.63449396  0.43568480  0.63440043
   0.82300741  0.39349761  0.81027476
   0.61325243  0.70487046 -0.02213340
   0.93003881  0.57702164  0.35427671
   0.58914108  0.90289822  0.13422994
   0.86441317  0.87046907  0.24386830
   0.68522541  0.66607979  0.47737915
   0.87708903  0.67505573  0.88789002
   0.69435023  0.91010505  0.58731658
   0.88271965  0.90293920  0.74571785
   0.17206979  0.08899019  0.10302401
   0.38890420  0.18045873  0.28299665
   0.19315359  0.33845152  0.00143211
   0.38923720  0.43901445  0.33795447
   0.53920365  0.35428331  0.18652178
   0.29676382  0.38476175  0.16035435
   0.22560633  0.14934873  0.44015710
  -0.04464586  0.19231598  0.42797449
   0.05632534 -0.00410256  0.51123383
   0.43965573  0.24753595  0.82205682
   0.08140832  0.23388512  0.60184619
   0.39487363  0.50616053  0.84720650
   0.48819782  0.41081476  0.68427589
   0.22989654  0.36009576  0.72864708
   0.24992668  0.11177943 -0.08201060
   0.00104894  0.13800234  0.97826370
   0.15755400  0.57886757  0.06783971
   0.38367443  0.69329278  0.28413928
   0.17655441  0.82312708  0.07077230
   0.39091459  0.93053921  0.37556817
   0.46121922  0.92135369  0.19887376
   0.19301085  0.90669154  0.25192922
   0.31287666  0.62586280  0.45454884
   0.06789699  0.52008561  0.40551835
   0.24732848  0.41196030  0.53340464
   0.34581373  0.72597700  0.72786808
   0.10959186  0.73808204  0.51938298
   0.38545793  0.97311151  0.79781871
   0.53655657  0.85464040  0.63789887
   0.24193365  0.94194586  0.64089885
   0.29818991  0.73156260 -0.07934582
   0.02716412  0.71806412  0.91898222
   0.68266328  0.04641635  0.09130054
   0.85625956  0.20280788  0.22704253
   0.60573962  0.29830521  0.00632890
   0.87084536  0.45547578  0.28695363
   0.05063990  0.37105600  0.17176295
   0.77360044  0.46485583  0.12868669
   0.70251778  0.19721545  0.37894425
   0.48067123  0.15646157  0.46107840
   0.69724862  0.07289107  0.54651182
   0.94170510  0.27663264  0.82209409
   0.63298667  0.35063151  0.53416452
   0.88854993  0.51704325  0.86663125
   1.07385041  0.52324773  0.60779716
   0.77151866  0.41270576  0.69805076
   0.77364879  0.11746713  0.91514573
   0.51142583  0.08078469  0.94627737
   0.56256505  0.57396950  0.04917319
   0.93864913  0.71085646  0.27667020
   0.57185910  0.84716469  0.02847615
   0.87099956  0.98019453  0.33422302
   0.95790962  0.92986854  0.15858689
   0.71221860  0.84221798  0.19610928
   0.82446214  0.60588932  0.43742436
   0.57551005  0.58786931  0.41131217
   0.64226234  0.61332189  0.58750403
   0.81373824  0.76877539  0.80563464
   0.66577317  0.83826240  0.47716428
   0.97230754  0.99842328  0.82594383
   0.98058146  0.84590958  0.67066012
   0.75238956  0.97615733  0.69970535
   0.77305242  0.69068807  0.97948992
   0.54419836  0.70216093  0.87773297
   0.79365434  0.79402475  0.59794993
   1.04588651  0.93571053  0.43265193
   0.87467219  0.29840577  0.07168904
   0.69210249  1.11445763  0.15586200
   0.42106154  0.06955740  0.64131864
   0.47044412  1.13750847  1.13932208
   0.54338193  1.33897766 -0.04513132
   0.44348975  1.12304808  0.09479388
   0.69141545  0.35187139  0.84933900
   0.57948715  0.73279455  0.63367481
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.874069   -0.016052   -0.055012
    -0.000000    9.642869    0.247288
    -0.000000    0.000000   14.010621
   Si   O    H 
    32    64    10
Direct configuration=  3333
   0.16036936  0.16973372  0.00504574
   0.36650213  0.10408593  0.39034782
   0.17235007  0.42321364  0.10140163
   0.40188493  0.34990553  0.24953753
   0.08097080  0.16890714  0.49414518
   0.38979776  0.09751970  0.86369841
   0.15375226  0.37932342  0.62422818
   0.37764738  0.38864519  0.77028920
   0.16113453  0.70313564 -0.01306499
   0.42417740  0.59257881  0.37607330
   0.11858664  0.93380210  0.14651656
   0.34975491  0.85768519  0.27297700
   0.16557217  0.56955818  0.50104743
   0.38741790  0.67460994  0.82906464
   0.11217043  0.85545989  0.60184142
   0.39851217  0.93868898  0.68246261
   0.65939324  0.13384322  0.98000263
   0.84900562  0.14727238  0.34423408
   0.61670737  0.43986589  0.09689811
   0.89708309  0.37019798  0.19069730
   0.62899749  0.19982525  0.48624132
   0.92431603  0.13164841  0.87941512
   0.63453959  0.43636417  0.63382667
   0.82262983  0.39367338  0.81082295
   0.61373772  0.70593084 -0.02304354
   0.93139488  0.57807769  0.35468187
   0.59030867  0.90349199  0.13412948
   0.86479329  0.86907107  0.24426780
   0.68443052  0.66690425  0.47669986
   0.87749657  0.67347615  0.88775685
   0.69350086  0.91035062  0.58694900
   0.88241556  0.90360380  0.74580875
   0.17157856  0.08876724  0.10359078
   0.38804323  0.18177134  0.28346666
   0.19175818  0.33586185  0.00148951
   0.38851319  0.44052568  0.33902964
   0.54128180  0.35490963  0.18612553
   0.29626567  0.38331848  0.16191086
   0.22607382  0.14878928  0.43992724
  -0.04524634  0.19268331  0.42884655
   0.05724764 -0.00505949  0.51253231
   0.43976078  0.24629501  0.82192567
   0.08149679  0.23519323  0.60265304
   0.39483491  0.50658233  0.84690997
   0.48944935  0.41060690  0.68453994
   0.23070502  0.36265672  0.72812718
   0.24996495  0.11039012 -0.08163799
   0.00201181  0.13865116  0.97832342
   0.15726448  0.57942960  0.06684815
   0.38168241  0.69291020  0.28193871
   0.17658111  0.82182579  0.06973612
   0.39194681  0.93206792  0.37444109
   0.46007258  0.92113259  0.20029562
   0.19444633  0.90800307  0.25213115
   0.31155701  0.62595892  0.45432491
   0.06816678  0.51891073  0.40582137
   0.24731178  0.41548691  0.53268819
   0.34638206  0.72514249  0.72738808
   0.10872755  0.73889212  0.51807903
   0.38490993  0.97252005  0.79855126
   0.53675107  0.85200689  0.63872686
   0.24274879  0.94206186  0.64112079
   0.29717282  0.73174826 -0.07986163
   0.02726169  0.71740219  0.92092529
   0.68350715  0.04597711  0.09201610
   0.85716695  0.20366592  0.22669498
   0.60661856  0.30115487  0.00610311
   0.87131174  0.45516172  0.28787110
   0.05000531  0.37103040  0.17228771
   0.77154195  0.46603455  0.12830751
   0.70419001  0.19764017  0.37870310
   0.48139798  0.15810516  0.46037715
   0.69841443  0.07357601  0.54600276
   0.94190191  0.27564966  0.82225237
   0.63431052  0.35120007  0.53424761
   0.88937155  0.51715568  0.86684208
   1.07384877  0.52301818  0.60942578
   0.76907688  0.41348861  0.69753274
   0.77170107  0.11798730  0.91567543
   0.51242396  0.08072398  0.94622999
   0.56274923  0.57260876  0.04936598
   0.93731116  0.71183455  0.27706227
   0.57072900  0.84622138  0.02905720
   0.87206317  0.98083544  0.33360778
   0.95662820  0.92920145  0.15816010
   0.71318036  0.84116721  0.19576623
   0.82307786  0.60686232  0.43732155
   0.57865996  0.58804277  0.41189802
   0.64477416  0.61365817  0.58744472
   0.81316229  0.76901923  0.80525172
   0.66803679  0.83715131  0.47736106
   0.97201213  0.99813870  0.82607986
   0.98168862  0.84399794  0.67052216
   0.75164043  0.97730235  0.70053529
   0.77414487  0.69273052  0.97762663
   0.54553295  0.70351630  0.87658605
   0.78289371  0.79035742  0.59205590
   1.04830437  0.93566444  0.43512484
   0.87294508  0.29753279  0.07238091
   0.69048418  1.10892345  0.15252521
   0.42830255  0.06648465  0.64340058
   0.46618166  1.14396398  1.14727189
   0.54487655  1.34250154 -0.03879168
   0.43667881  1.13226018  0.09486266
   0.69447386  0.34597356  0.85292927
   0.57543810  0.73150194  0.63481216
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.875146   -0.016626   -0.058225
    -0.000000    9.643731    0.247693
    -0.000000    0.000000   14.009137
   Si   O    H 
    32    64    10
Direct configuration=  3334
   0.16071046  0.16983158  0.00477265
   0.36662943  0.10484223  0.39060157
   0.17213580  0.42220002  0.10125579
   0.40028908  0.34924019  0.25001896
   0.08104696  0.16893875  0.49410213
   0.38974072  0.09766776  0.86466713
   0.15234581  0.37861787  0.62528609
   0.37857181  0.38857531  0.76988593
   0.16194718  0.70304954 -0.01312863
   0.42283128  0.59115968  0.37525539
   0.11945958  0.93505063  0.14723933
   0.35067650  0.85870751  0.27294136
   0.16559635  0.57024135  0.50121922
   0.38779307  0.67479616  0.82920988
   0.11184243  0.85543292  0.60191151
   0.39790352  0.93715768  0.68283337
   0.66021774  0.13502775  0.98046622
   0.84825208  0.14770991  0.34352863
   0.61653492  0.44045921  0.09698216
   0.89651465  0.37085975  0.19013587
   0.63009444  0.20037219  0.48552577
   0.92474594  0.13217743  0.87977779
   0.63468549  0.43733711  0.63279560
   0.82202126  0.39404263  0.81126544
   0.61447093  0.70737852 -0.02360471
   0.93275904  0.57869519  0.35528395
   0.59073989  0.90428748  0.13448956
   0.86508638  0.86745058  0.24479053
   0.68294256  0.66821051  0.47617724
   0.87747179  0.67220702  0.88806522
   0.69238327  0.91054091  0.58717139
   0.88191546  0.90370940  0.74575920
   0.17102151  0.08773067  0.10411993
   0.38777167  0.18332100  0.28409781
   0.19081285  0.33284343  0.00196559
   0.38715828  0.44195923  0.33992982
   0.54355948  0.35494422  0.18606753
   0.29596832  0.38178725  0.16422137
   0.22569446  0.14783458  0.43978919
  -0.04552612  0.19346780  0.42904081
   0.05821370 -0.00580066  0.51365507
   0.43993611  0.24624191  0.82196531
   0.08172963  0.23554275  0.60290223
   0.39436647  0.50620842  0.84689914
   0.49125188  0.41067516  0.68483713
   0.23181743  0.36579649  0.72738066
   0.25034626  0.10885850 -0.08136830
   0.00260028  0.13881509  0.97877095
   0.15723612  0.58009122  0.06560082
   0.38081251  0.69302794  0.27988102
   0.17682529  0.82074090  0.06867084
   0.39402537  0.93472585  0.37346163
   0.45993178  0.92132328  0.20133988
   0.19685597  0.90889275  0.25242525
   0.30992096  0.62579010  0.45387528
   0.06834642  0.51835422  0.40623913
   0.24748781  0.41898244  0.53203015
   0.34626350  0.72496342  0.72683953
   0.10783430  0.73977137  0.51744901
   0.38377876  0.97244462  0.79924342
   0.53734623  0.84942170  0.63906506
   0.24343534  0.94190969  0.64129531
   0.29554574  0.73040524 -0.08004080
   0.02812106  0.71643578  0.92248589
   0.68369525  0.04566241  0.09299816
   0.85875919  0.20386297  0.22642323
   0.60782176  0.30463300  0.00644481
   0.87170342  0.45523171  0.28877805
   0.05019783  0.37045373  0.17271696
   0.77009972  0.46664662  0.12785997
   0.70438420  0.19770132  0.37867661
   0.48221156  0.15901591  0.45972392
   0.69900345  0.07355116  0.54538168
   0.94264245  0.27555340  0.82273781
   0.63512259  0.35202725  0.53402860
   0.89020331  0.51693531  0.86753081
   1.07409511  0.52245230  0.61083661
   0.76704038  0.41401611  0.69802388
   0.77028919  0.11747101  0.91622736
   0.51299790  0.08088610  0.94628461
   0.56327464  0.57180965  0.04902001
   0.93586719  0.71279352  0.27735893
   0.56986223  0.84502721  0.02952914
   0.87290148  0.98136700  0.33331644
   0.95451054  0.92917882  0.15720419
   0.71432334  0.83940499  0.19616016
   0.82199671  0.60727258  0.43715714
   0.58111904  0.58804837  0.41153786
   0.64751904  0.61425792  0.58763675
   0.81253048  0.76907544  0.80449289
   0.67016552  0.83555476  0.47753798
   0.97179466  0.99772514  0.82614420
   0.98279267  0.84250517  0.67001385
   0.75159443  0.97871805  0.70136933
   0.77554830  0.69391581  0.97503449
   0.54629204  0.70511129  0.87485984
   0.78060259  0.78964569  0.58809218
   1.05289838  0.93970732  0.44438466
   0.87227866  0.30113870  0.07249172
   0.68803348  1.10517578  0.14336971
   0.43481727  0.06929607  0.64124153
   0.46659640  1.14546015  1.14955382
   0.54432181  1.34531894 -0.03823118
   0.43607007  1.14461271  0.09848355
   0.69722785  0.34265366  0.85699289
   0.57007301  0.73055565  0.63214043
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876443   -0.017299   -0.061366
    -0.000000    9.644139    0.247939
    -0.000000    0.000000   14.007346
   Si   O    H 
    32    64    10
Direct configuration=  3335
   0.16066798  0.17009191  0.00444678
   0.36714474  0.10596732  0.39047352
   0.17189762  0.42114613  0.10050333
   0.39898789  0.34786238  0.25049861
   0.08127370  0.17023639  0.49432036
   0.39001317  0.09812960  0.86628127
   0.15127830  0.37812835  0.62614808
   0.37978105  0.38871991  0.76925411
   0.16309892  0.70353969 -0.01341524
   0.42170765  0.59023992  0.37474372
   0.12056361  0.93566936  0.14745476
   0.35192130  0.85910219  0.27343277
   0.16534801  0.57098418  0.50112030
   0.38891549  0.67500005  0.82939834
   0.11162741  0.85594352  0.60164110
   0.39710541  0.93548794  0.68348006
   0.65989473  0.13604067  0.98095895
   0.84751557  0.14809839  0.34244481
   0.61677881  0.44015841  0.09753542
   0.89533264  0.37187708  0.18967253
   0.63089826  0.20066436  0.48495274
   0.92554159  0.13253325  0.88035352
   0.63469259  0.43829233  0.63143743
   0.82134463  0.39354684  0.81123674
   0.61516248  0.70822772 -0.02381272
   0.93372658  0.57927350  0.35540885
   0.59105860  0.90518237  0.13481614
   0.86518943  0.86594441  0.24516231
   0.68131936  0.67018816  0.47552790
   0.87715869  0.67138864  0.88846147
   0.69107169  0.91101018  0.58762171
   0.88150030  0.90333880  0.74589752
   0.17138240  0.08659186  0.10479550
   0.38738679  0.18517080  0.28432916
   0.18946392  0.33009708  0.00322104
   0.38577884  0.44186729  0.34056612
   0.54535922  0.35489658  0.18599264
   0.29649789  0.38085086  0.16686989
   0.22561323  0.14705535  0.44029266
  -0.04660418  0.19353772  0.42884626
   0.05885315 -0.00705192  0.51425586
   0.44056237  0.24690152  0.82209057
   0.08237344  0.23472201  0.60300526
   0.39316120  0.50654476  0.84729807
   0.49256118  0.41133700  0.68469596
   0.23238364  0.36841855  0.72671580
   0.24999822  0.10787895 -0.08069519
   0.00393371  0.13891117  0.97962874
   0.15651822  0.58018931  0.06488241
   0.38058296  0.69269308  0.27743928
   0.17697035  0.82047388  0.06852524
   0.39586058  0.93677332  0.37248165
   0.46045502  0.92228596  0.20173327
   0.19892949  0.90956397  0.25299821
   0.30930557  0.62579696  0.45321435
   0.06771247  0.51828533  0.40689254
   0.24828888  0.42186107  0.53142247
   0.34567984  0.72474242  0.72648499
   0.10682112  0.74068401  0.51690823
   0.38319802  0.97087669  0.79956346
   0.53816903  0.84758114  0.63949603
   0.24303188  0.94172895  0.64087190
   0.29398602  0.72888045 -0.08011365
   0.02917521  0.71486033  0.92366349
   0.68353832  0.04538383  0.09363428
   0.85962048  0.20340497  0.22647116
   0.60918513  0.30774750  0.00682764
   0.87214151  0.45558603  0.28970753
   0.05126746  0.36969028  0.17276619
   0.76921461  0.46718922  0.12732750
   0.70528390  0.19871770  0.37841238
   0.48262000  0.15978061  0.45953000
   0.70034157  0.07325638  0.54532457
   0.94328326  0.27447532  0.82294786
   0.63583230  0.35227670  0.53428034
   0.89062400  0.51574651  0.86764601
   1.07397026  0.52267324  0.61240012
   0.76597050  0.41490376  0.69817391
   0.77013142  0.11717395  0.91582343
   0.51414679  0.08069361  0.94656733
   0.56379257  0.57098829  0.04909424
   0.93460066  0.71481069  0.27729547
   0.56918997  0.84364366  0.02990694
   0.87358999  0.98201684  0.33383034
   0.95183140  0.92971695  0.15637045
   0.71553686  0.83758736  0.19641410
   0.82116147  0.60704168  0.43722071
   0.58250814  0.58809905  0.41038906
   0.65046731  0.61484697  0.58849386
   0.81157333  0.76858399  0.80292796
   0.67154681  0.83446810  0.47810296
   0.97104872  0.99870506  0.82532498
   0.98526690  0.84182036  0.66964744
   0.75279950  0.97952102  0.70208768
   0.77701754  0.69511484  0.97280254
   0.54774383  0.70646297  0.87315096
   0.78092103  0.79133591  0.59031732
   1.05846034  0.94810092  0.45917307
   0.87211986  0.30636654  0.07164359
   0.68792036  1.11529257  0.14503374
   0.43997739  0.07723559  0.63836148
   0.46999449  1.14824122  1.14804913
   0.53488312  1.34728133 -0.03903252
   0.43360293  1.15573104  0.10350339
   0.70248905  0.34033311  0.86346920
   0.56589986  0.73109880  0.62726203
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.877583   -0.017449   -0.064715
    -0.000000    9.644455    0.248217
    -0.000000    0.000000   14.005619
   Si   O    H 
    32    64    10
Direct configuration=  3336
   0.16041815  0.17021065  0.00434486
   0.36751869  0.10745508  0.39052834
   0.17162525  0.42000055  0.09947951
   0.39845325  0.34587047  0.25091906
   0.08183958  0.17076058  0.49463242
   0.39082146  0.09875856  0.86773661
   0.15066919  0.37818345  0.62673924
   0.38112814  0.38863154  0.76857061
   0.16396702  0.70429563 -0.01339896
   0.42115346  0.58860132  0.37457162
   0.12221298  0.93626479  0.14743303
   0.35310323  0.85960136  0.27368064
   0.16508558  0.57166369  0.50088537
   0.38968242  0.67548238  0.82960738
   0.11201780  0.85665633  0.60090854
   0.39630793  0.93434535  0.68431390
   0.65826968  0.13662622  0.98195831
   0.84709936  0.14845771  0.34106872
   0.61713181  0.43990638  0.09836145
   0.89368722  0.37226891  0.18876491
   0.63184725  0.20063380  0.48419182
   0.92587425  0.13302884  0.88137803
   0.63504886  0.44009433  0.62997839
   0.82074548  0.39252771  0.81139741
   0.61575849  0.70884945 -0.02381656
   0.93462187  0.58015600  0.35532191
   0.59157065  0.90570581  0.13546034
   0.86487916  0.86450078  0.24596439
   0.68008221  0.67204868  0.47523791
   0.87708068  0.67086512  0.88869958
   0.68993742  0.91179750  0.58826885
   0.88073448  0.90271230  0.74649191
   0.17281420  0.08588330  0.10594905
   0.38633877  0.18712460  0.28482584
   0.18871433  0.32795495  0.00478787
   0.38493734  0.44160167  0.34084079
   0.54647883  0.35507648  0.18613778
   0.29678629  0.37954897  0.16881602
   0.22574613  0.14580438  0.44019112
  -0.04872781  0.19408482  0.42851382
   0.05929957 -0.00706903  0.51615350
   0.44106792  0.24735913  0.82141334
   0.08284048  0.23345967  0.60227804
   0.39168125  0.50655279  0.84723640
   0.49427769  0.41287408  0.68419366
   0.23268726  0.36978198  0.72641811
   0.24981162  0.10743452 -0.08035225
   0.00558436  0.13878731  0.98100571
   0.15658861  0.57990248  0.06457909
   0.38109091  0.69253945  0.27570249
   0.17734948  0.81999654  0.06854665
   0.39678519  0.93887365  0.37214662
   0.46105326  0.92409495  0.20136042
   0.20019185  0.91039116  0.25305623
   0.30854634  0.62697503  0.45273801
   0.06840915  0.51790859  0.40828685
   0.24852392  0.42434237  0.53076477
   0.34441981  0.72484024  0.72629939
   0.10588764  0.74119713  0.51670003
   0.38216133  0.96833756  0.79983697
   0.53879051  0.84597093  0.63955110
   0.24164264  0.94148889  0.64035559
   0.29271474  0.72777319 -0.08042321
   0.02951632  0.71344184  0.92471432
   0.68317944  0.04603569  0.09430522
   0.85949235  0.20318783  0.22665268
   0.61005538  0.31128811  0.00744043
   0.87231112  0.45522822  0.29121574
   0.05341666  0.36939090  0.17306410
   0.76840252  0.46770850  0.12714303
   0.70663994  0.19955612  0.37871895
   0.48245017  0.16138906  0.45884601
   0.70166749  0.07267220  0.54518774
   0.94373922  0.27379450  0.82299677
   0.63677874  0.35276642  0.53492414
   0.89062620  0.51398169  0.86755511
   1.07373829  0.52357222  0.61398520
   0.76511990  0.41509807  0.69830541
   0.77041845  0.11639622  0.91470854
   0.51526355  0.08102214  0.94662224
   0.56422925  0.57162460  0.04842660
   0.93395556  0.71713241  0.27702468
   0.56762188  0.84257617  0.03024763
   0.87414900  0.98257538  0.33410638
   0.95017287  0.93035183  0.15570047
   0.71712186  0.83580601  0.19659710
   0.81987541  0.60594178  0.43682216
   0.58188300  0.58856841  0.40850034
   0.65257329  0.61467570  0.58915773
   0.81105011  0.76907155  0.80097256
   0.67305089  0.83436076  0.47850374
   0.97039848  0.99872470  0.82410283
   0.98759101  0.84166915  0.66922644
   0.75337686  0.98029312  0.70277910
   0.77614605  0.69725601  0.97128738
   0.54943019  0.70666135  0.87118959
   0.78431480  0.79483599  0.59490378
   1.06126820  0.94395791  0.45894252
   0.87449940  0.31104049  0.07131749
   0.69059000  1.12262701  0.14789431
   0.44657603  0.08052986  0.63637908
   0.47686976  1.14907011  1.14850328
   0.53286138  1.34392846 -0.03945999
   0.43312364  1.16426293  0.10307389
   0.70676833  0.34419538  0.86828499
   0.56228624  0.73238380  0.62160920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.878840   -0.017101   -0.067156
    -0.000000    9.644629    0.248059
    -0.000000    0.000000   14.004206
   Si   O    H 
    32    64    10
Direct configuration=  3337
   0.15960005  0.16965593  0.00393434
   0.36796919  0.10892672  0.39052231
   0.17136182  0.41865320  0.09833510
   0.39867097  0.34409988  0.25104934
   0.08232824  0.17082506  0.49468580
   0.39188461  0.09923550  0.86925389
   0.15085199  0.37930261  0.62729996
   0.38312597  0.38882734  0.76837945
   0.16473802  0.70488339 -0.01318198
   0.42077905  0.58729420  0.37434901
   0.12387922  0.93709640  0.14714770
   0.35356447  0.86040573  0.27384068
   0.16458568  0.57178231  0.50092608
   0.39044787  0.67595255  0.82918851
   0.11155620  0.85712196  0.59999819
   0.39548986  0.93394881  0.68530786
   0.65694423  0.13740355  0.98333908
   0.84667055  0.14909964  0.34001117
   0.61737559  0.43877365  0.09900630
   0.89177226  0.37272230  0.18766582
   0.63275825  0.20072214  0.48332787
   0.92645674  0.13399069  0.88242385
   0.63561963  0.44197536  0.62879727
   0.82028628  0.39101476  0.81141407
   0.61604431  0.70957997 -0.02371861
   0.93573662  0.58062919  0.35564491
   0.59285674  0.90605497  0.13602122
   0.86397255  0.86363359  0.24614573
   0.67898188  0.67348502  0.47469059
   0.87786362  0.67028588  0.88927606
   0.68871916  0.91247580  0.58983322
   0.88057151  0.90171525  0.74711808
   0.17399152  0.08512400  0.10720190
   0.38487145  0.18796479  0.28577492
   0.18788316  0.32631566  0.00675451
   0.38473554  0.44061684  0.34102460
   0.54773087  0.35619877  0.18681044
   0.29582794  0.37779619  0.17016870
   0.22536659  0.14508758  0.43968232
  -0.05065007  0.19428595  0.42769616
   0.05913289 -0.00661183  0.51844223
   0.44162112  0.24692086  0.82120127
   0.08366993  0.23152203  0.60136624
   0.38923976  0.50662395  0.84725632
   0.49583618  0.41371925  0.68414045
   0.23353028  0.37092885  0.72644683
   0.24942153  0.10714645 -0.07968677
   0.00600121  0.13823666  0.98169006
   0.15678719  0.57908520  0.06426057
   0.38239353  0.69347914  0.27442525
   0.17785387  0.82057661  0.06916044
   0.39720669  0.94094544  0.37168819
   0.46188143  0.92628492  0.20119459
   0.20160257  0.91112558  0.25326500
   0.30820897  0.62945587  0.45241319
   0.06960860  0.51806915  0.40998553
   0.24981323  0.42573864  0.53018738
   0.34315668  0.72467941  0.72626080
   0.10638219  0.74217398  0.51699688
   0.38134626  0.96570311  0.80015620
   0.53952001  0.84308980  0.63975465
   0.24051189  0.94187671  0.63961694
   0.29160739  0.72680662 -0.08073678
   0.03037731  0.71162257  0.92596258
   0.68282764  0.04715564  0.09504631
   0.85842212  0.20260600  0.22713876
   0.60971914  0.31537738  0.00757973
   0.87242123  0.45484040  0.29232517
   0.05547867  0.36942289  0.17368433
   0.76746051  0.46816389  0.12700386
   0.70758251  0.20056510  0.37879767
   0.48174418  0.16349448  0.45798418
   0.70409010  0.07299389  0.54451871
   0.94356787  0.27351344  0.82271474
   0.63801015  0.35223920  0.53537314
   0.89050214  0.51214205  0.86734432
   1.07323069  0.52399439  0.61590902
   0.76427924  0.41537579  0.69852675
   0.77158492  0.11573489  0.91341676
   0.51670510  0.08146368  0.94642370
   0.56483432  0.57281612  0.04709872
   0.93287150  0.71917637  0.27739306
   0.56610385  0.84139375  0.03122093
   0.87469167  0.98204205  0.33416834
   0.94991995  0.93160157  0.15577841
   0.71823712  0.83425206  0.19688232
   0.81958044  0.60529554  0.43659483
   0.58061582  0.58868615  0.40680392
   0.65428024  0.61397740  0.59012350
   0.81089769  0.76892981  0.79973663
   0.67439850  0.83529290  0.47835118
   0.96959481  0.99938333  0.82259012
   0.99014281  0.84126009  0.66911047
   0.75403206  0.98103825  0.70254049
   0.77560328  0.69910888  0.97058138
   0.55108393  0.70688082  0.86970100
   0.78842792  0.79695823  0.60249034
   1.06094533  0.93762803  0.45303757
   0.88133830  0.31438800  0.06965547
   0.69594319  1.12274248  0.14646960
   0.45420206  0.07399861  0.63684409
   0.48309833  1.14934374  1.14573491
   0.53512679  1.33722030 -0.03679809
   0.43369192  1.16933958  0.10436452
   0.70797969  0.34647733  0.87074311
   0.55960083  0.73207168  0.61507869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.880283   -0.016485   -0.069881
    -0.000000    9.644714    0.248040
    -0.000000    0.000000   14.002882
   Si   O    H 
    32    64    10
Direct configuration=  3338
   0.15854774  0.16828450  0.00385258
   0.36861897  0.11031111  0.39023523
   0.17121691  0.41740089  0.09750261
   0.39943510  0.34212509  0.25073691
   0.08259556  0.16991228  0.49457943
   0.39274052  0.09937784  0.87085188
   0.15077350  0.38065047  0.62742505
   0.38485217  0.38915528  0.76793824
   0.16550989  0.70538914 -0.01273552
   0.42032408  0.58650350  0.37387697
   0.12507255  0.93757807  0.14671520
   0.35376870  0.86078093  0.27380888
   0.16376402  0.57217828  0.50090686
   0.39113254  0.67628529  0.82900884
   0.11089538  0.85823573  0.59889436
   0.39460753  0.93398782  0.68615356
   0.65571106  0.13848383  0.98490572
   0.84680481  0.14957649  0.33898204
   0.61757473  0.43742697  0.09964348
   0.89017593  0.37326374  0.18657800
   0.63366021  0.20045543  0.48308856
   0.92744198  0.13487233  0.88291388
   0.63582089  0.44409008  0.62753296
   0.81983149  0.38940420  0.81139843
   0.61626807  0.71015014 -0.02316890
   0.93674038  0.58165269  0.35584799
   0.59375645  0.90603909  0.13614201
   0.86299792  0.86293001  0.24652664
   0.67794336  0.67445396  0.47423100
   0.87950092  0.67044057  0.88934130
   0.68748883  0.91344585  0.59128658
   0.88054285  0.90113602  0.74775229
   0.17535500  0.08433842  0.10834247
   0.38347123  0.18919285  0.28615852
   0.18722905  0.32599601  0.00846904
   0.38349625  0.43907391  0.34093856
   0.54849496  0.35636434  0.18705348
   0.29450533  0.37637112  0.17114955
   0.22534747  0.14476878  0.43962273
  -0.05236450  0.19478931  0.42655560
   0.05842693 -0.00614811  0.52005126
   0.44201151  0.24698816  0.82091752
   0.08469358  0.22899431  0.60026317
   0.38699685  0.50628620  0.84751608
   0.49750327  0.41482069  0.68377685
   0.23399202  0.37124090  0.72627261
   0.24930253  0.10714995 -0.07855419
   0.00641224  0.13828310  0.98128214
   0.15744414  0.57822300  0.06438769
   0.38385147  0.69412001  0.27421938
   0.17787506  0.82216692  0.06977584
   0.39781081  0.94269784  0.37163942
   0.46288487  0.92837414  0.20082137
   0.20268766  0.91185562  0.25325999
   0.30784748  0.63163858  0.45191099
   0.07066382  0.51860800  0.41166787
   0.25014407  0.42581881  0.52969784
   0.34187033  0.72406952  0.72588451
   0.10746597  0.74327393  0.51698371
   0.38102485  0.96384122  0.80058698
   0.53986243  0.84041212  0.63990362
   0.23962849  0.94177527  0.63867761
   0.29109241  0.72613952 -0.08099558
   0.03047539  0.71070747  0.92653078
   0.68207027  0.05025749  0.09519002
   0.85757892  0.20256504  0.22799229
   0.61015571  0.31892873  0.00813147
   0.87300363  0.45404942  0.29339653
   0.05655834  0.36992618  0.17413913
   0.76687560  0.46766380  0.12687957
   0.70845584  0.20154556  0.37899072
   0.48094833  0.16564639  0.45726351
   0.70670627  0.07260956  0.54383016
   0.94280937  0.27408723  0.82237021
   0.63837327  0.35094389  0.53490144
   0.89097063  0.51053454  0.86668106
   1.07216044  0.52371470  0.61769023
   0.76355197  0.41559924  0.69852806
   0.77261326  0.11514178  0.91254900
   0.51815629  0.08169232  0.94627050
   0.56516196  0.57384749  0.04558637
   0.93185624  0.72054162  0.27806795
   0.56514153  0.84082336  0.03146144
   0.87488681  0.98182669  0.33429826
   0.95115641  0.93124340  0.15643603
   0.71880827  0.83296073  0.19769918
   0.81944506  0.60533601  0.43682351
   0.57830738  0.58914709  0.40451778
   0.65496654  0.61276444  0.59108764
   0.81107831  0.76763820  0.79886154
   0.67506104  0.83656728  0.47780786
   0.96888400  0.99997438  0.82113526
   0.99139819  0.84113602  0.66941898
   0.75495417  0.98107801  0.70165364
   0.77460518  0.70088691  0.97042954
   0.55216843  0.70770295  0.86827053
   0.79113939  0.80118682  0.61101472
   1.05920099  0.94171283  0.45319675
   0.89178873  0.31604166  0.06964278
   0.70365133  1.11356464  0.14446273
   0.45990437  0.06142063  0.63804623
   0.48525906  1.14913589  1.14179079
   0.53539010  1.33062507 -0.03562284
   0.43852595  1.17002188  0.10530925
   0.70809617  0.34716454  0.87206315
   0.56272352  0.73164278  0.61466496
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881948   -0.015774   -0.072867
    -0.000000    9.644746    0.247829
    -0.000000    0.000000   14.001235
   Si   O    H 
    32    64    10
Direct configuration=  3339
   0.15740635  0.16637939  0.00393759
   0.36926352  0.11126923  0.38986043
   0.17113255  0.41626218  0.09668310
   0.40023806  0.33992810  0.25015585
   0.08345583  0.16906066  0.49426705
   0.39353435  0.09952236  0.87216645
   0.15036548  0.38207904  0.62727938
   0.38612400  0.38959833  0.76726654
   0.16616974  0.70472402 -0.01240703
   0.41956460  0.58624260  0.37351697
   0.12587118  0.93821836  0.14646367
   0.35382406  0.86094385  0.27400247
   0.16277122  0.57325740  0.50077349
   0.39225431  0.67618990  0.82886423
   0.11037783  0.85927357  0.59784364
   0.39393444  0.93312269  0.68667881
   0.65460378  0.13903148  0.98627297
   0.84744330  0.14961272  0.33814170
   0.61757928  0.43647312  0.10065328
   0.88866151  0.37389549  0.18580510
   0.63411038  0.19987553  0.48295409
   0.92855360  0.13547680  0.88309682
   0.63627956  0.44650417  0.62669662
   0.81944681  0.38825045  0.81149089
   0.61653007  0.70999151 -0.02294536
   0.93739435  0.58274974  0.35609897
   0.59462054  0.90633226  0.13637173
   0.86227680  0.86261966  0.24638489
   0.67778938  0.67518015  0.47356409
   0.88148125  0.67134674  0.88927904
   0.68674246  0.91418686  0.59246224
   0.88166077  0.90034970  0.74860857
   0.17681293  0.08393230  0.10916402
   0.38230165  0.18975429  0.28607405
   0.18691118  0.32617355  0.01024839
   0.38233501  0.43822391  0.34063098
   0.54876031  0.35558432  0.18747170
   0.29360156  0.37498830  0.17126668
   0.22553207  0.14543857  0.43959081
  -0.05294006  0.19535412  0.42590989
   0.05727185 -0.00650276  0.52101249
   0.44237281  0.24694331  0.82078615
   0.08471118  0.22670698  0.59938603
   0.38502543  0.50666936  0.84702754
   0.49883448  0.41604893  0.68362670
   0.23492708  0.37133174  0.72639811
   0.24849684  0.10662826 -0.07770787
   0.00663714  0.13791554  0.98111076
   0.15826374  0.57658062  0.06470562
   0.38513211  0.69419145  0.27413374
   0.17846301  0.82365859  0.07012674
   0.39894094  0.94411694  0.37214807
   0.46389346  0.93038216  0.20042537
   0.20266128  0.91278800  0.25305057
   0.30704239  0.63343263  0.45096917
   0.07109122  0.51961470  0.41246273
   0.25027113  0.42503205  0.52977173
   0.34005300  0.72361959  0.72558197
   0.10802429  0.74495207  0.51706842
   0.38085637  0.96348747  0.80134467
   0.53973052  0.83797373  0.64020693
   0.23848698  0.94114710  0.63766289
   0.29094474  0.72535642 -0.08157320
   0.02986401  0.70970638  0.92698132
   0.68160333  0.05342224  0.09433986
   0.85641172  0.20292910  0.22888784
   0.61030225  0.32220590  0.00887072
   0.87331362  0.45317352  0.29478186
   0.05704172  0.37084803  0.17442835
   0.76748443  0.46646376  0.12683200
   0.70902118  0.20281433  0.37969066
   0.48024966  0.16845685  0.45674478
   0.70839613  0.07356731  0.54343752
   0.94236323  0.27473871  0.82260162
   0.63878520  0.34970658  0.53482050
   0.89120409  0.51011658  0.86571243
   1.07089467  0.52322243  0.61847866
   0.76300692  0.41605718  0.69811828
   0.77337344  0.11432073  0.91161040
   0.52008571  0.08201728  0.94618628
   0.56440932  0.57510711  0.04435167
   0.93109773  0.72121112  0.27871670
   0.56398259  0.84075780  0.03184388
   0.87464554  0.98221780  0.33449058
   0.95236136  0.93008887  0.15728870
   0.71902884  0.83206018  0.19783987
   0.81949815  0.60616133  0.43711669
   0.57556980  0.58943246  0.40225450
   0.65386326  0.61098039  0.59193076
   0.81190531  0.76564675  0.79892676
   0.67588247  0.83856045  0.47773975
   0.96861485  1.00033668  0.82021342
   0.99209288  0.84103650  0.67009545
   0.75454983  0.98054652  0.70090285
   0.77419729  0.70328854  0.97102519
   0.55198424  0.70774447  0.86657334
   0.78949082  0.80617611  0.61715014
   1.05738989  0.94998245  0.46128821
   0.90106488  0.31690885  0.07058469
   0.71426056  1.10920906  0.14751316
   0.46190758  0.04749656  0.64001941
   0.48904154  1.14779844  1.13968949
   0.53075964  1.32465357 -0.03612612
   0.44035253  1.17356682  0.10365847
   0.70746288  0.34993941  0.86924038
   0.56800442  0.73323254  0.61754132
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.883145   -0.014241   -0.075784
    -0.000000    9.644849    0.247603
    -0.000000    0.000000   13.999528
   Si   O    H 
    32    64    10
Direct configuration=  3340
   0.15605904  0.16416002  0.00394987
   0.36961978  0.11232420  0.38908044
   0.17072239  0.41476372  0.09621272
   0.40059936  0.33824788  0.24975431
   0.08399165  0.16794810  0.49353523
   0.39409685  0.09973943  0.87311294
   0.15011967  0.38401326  0.62695846
   0.38742179  0.38966288  0.76621707
   0.16670623  0.70324328 -0.01218598
   0.41819282  0.58552834  0.37334501
   0.12704290  0.93831695  0.14629651
   0.35367980  0.86028302  0.27451044
   0.16200468  0.57440255  0.50020635
   0.39340763  0.67592195  0.82904397
   0.10948850  0.85995671  0.59664353
   0.39309164  0.93147404  0.68702159
   0.65335269  0.13976831  0.98781488
   0.84849522  0.15016644  0.33776962
   0.61782845  0.43506017  0.10162090
   0.88776458  0.37386782  0.18463853
   0.63471870  0.19940516  0.48285328
   0.92946395  0.13535364  0.88273802
   0.63634369  0.44841116  0.62597145
   0.81902610  0.38696920  0.81138789
   0.61679590  0.70942970 -0.02298972
   0.93765302  0.58381435  0.35632211
   0.59549306  0.90662902  0.13652981
   0.86215991  0.86286022  0.24636428
   0.67821272  0.67573107  0.47297571
   0.88313394  0.67264418  0.88903177
   0.68662337  0.91462860  0.59363251
   0.88257199  0.89952620  0.74910182
   0.17813177  0.08543120  0.10949509
   0.38147912  0.18931963  0.28608650
   0.18789246  0.32637741  0.01104648
   0.38119188  0.43718361  0.34013389
   0.54826279  0.35442431  0.18712639
   0.29356345  0.37382617  0.17079576
   0.22510657  0.14576363  0.43936599
  -0.05249621  0.19570864  0.42476775
   0.05555436 -0.00671768  0.52169200
   0.44161281  0.24676014  0.82074229
   0.08412088  0.22534536  0.59903012
   0.38340509  0.50711212  0.84611185
   0.49931097  0.41746300  0.68381683
   0.23566792  0.37050619  0.72651575
   0.24819822  0.10552669 -0.07684368
   0.00773830  0.13654518  0.98140074
   0.15818468  0.57608416  0.06544742
   0.38695504  0.69475640  0.27429612
   0.17984786  0.82546946  0.07042618
   0.40033106  0.94465900  0.37249755
   0.46556695  0.93283033  0.19969355
   0.20279497  0.91377707  0.25279724
   0.30676024  0.63529032  0.45006490
   0.07240420  0.52033648  0.41302159
   0.25044019  0.42329045  0.53027978
   0.33862952  0.72339023  0.72456598
   0.10844335  0.74578910  0.51729679
   0.38017712  0.96369052  0.80177945
   0.54060197  0.83610367  0.64069214
   0.23770523  0.93998154  0.63685615
   0.29058075  0.72460652 -0.08243100
   0.02877841  0.70859110  0.92704213
   0.68049849  0.05740704  0.09369384
   0.85443771  0.20408653  0.22950039
   0.61047574  0.32395554  0.00921496
   0.87391640  0.45256697  0.29602864
   0.05702635  0.37256314  0.17472096
   0.76932135  0.46602224  0.12730662
   0.70965663  0.20420873  0.38099299
   0.48009418  0.17159516  0.45621352
   0.70945066  0.07471842  0.54295301
   0.94246937  0.27561762  0.82236138
   0.63833314  0.34906614  0.53449315
   0.89139739  0.51015554  0.86501077
   1.06891691  0.52354172  0.61903117
   0.76259156  0.41728875  0.69863499
   0.77375940  0.11341391  0.91060031
   0.52155403  0.08241526  0.94665188
   0.56374672  0.57594800  0.04308843
   0.93074567  0.72131141  0.27903066
   0.56311773  0.84126816  0.03247362
   0.87448863  0.98186521  0.33428000
   0.95387374  0.92963530  0.15815550
   0.71925444  0.83140612  0.19772412
   0.81926307  0.60695745  0.43731727
   0.57241982  0.58981459  0.40013636
   0.65228429  0.60882398  0.59203663
   0.81300302  0.76324749  0.79914284
   0.67651492  0.84015577  0.47743796
   0.96909518  1.00001201  0.81954028
   0.99227747  0.84196085  0.67144023
   0.75391920  0.98036177  0.70076671
   0.77433015  0.70553394  0.97184690
   0.55222745  0.70745696  0.86539353
   0.78933799  0.80941013  0.62006527
   1.05391608  0.95136507  0.46358297
   0.90535191  0.31285982  0.07221782
   0.73025199  1.10877992  0.15265547
   0.46471055  0.04125289  0.64107606
   0.49186205  1.14790317  1.13830061
   0.52637796  1.32508792 -0.03615746
   0.44295393  1.17786955  0.10106845
   0.70341659  0.35119415  0.86586230
   0.57029302  0.73624981  0.62509346
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884315   -0.012214   -0.078734
    -0.000000    9.644912    0.247766
    -0.000000    0.000000   13.997301
   Si   O    H 
    32    64    10
Direct configuration=  3341
   0.15521555  0.16221077  0.00385060
   0.36984672  0.11261488  0.38826468
   0.17025221  0.41384559  0.09651170
   0.40077392  0.33741488  0.24964083
   0.08476210  0.16605955  0.49252421
   0.39470896  0.09993978  0.87369189
   0.15015752  0.38539804  0.62665058
   0.38901461  0.39011401  0.76510940
   0.16721862  0.70184856 -0.01196218
   0.41684139  0.58487076  0.37349204
   0.12800470  0.93796808  0.14570945
   0.35387341  0.85987568  0.27505122
   0.16130415  0.57535049  0.49974927
   0.39461677  0.67565052  0.82954846
   0.10888918  0.86047800  0.59569670
   0.39191636  0.92938928  0.68752265
   0.65233542  0.14118742  0.98920304
   0.84954508  0.15085589  0.33772303
   0.61799211  0.43438369  0.10266013
   0.88753389  0.37389882  0.18346375
   0.63545343  0.19907328  0.48256019
   0.93012119  0.13521104  0.88237894
   0.63630308  0.44989395  0.62513841
   0.81838655  0.38603692  0.81098698
   0.61741611  0.70833688 -0.02317500
   0.93828244  0.58436278  0.35616152
   0.59620348  0.90680693  0.13659252
   0.86232710  0.86328396  0.24613120
   0.67867018  0.67588411  0.47235189
   0.88481404  0.67399238  0.88853276
   0.68687699  0.91462797  0.59438979
   0.88261422  0.89783227  0.74918280
   0.18034244  0.08739742  0.10973852
   0.38095732  0.18787605  0.28649916
   0.18905809  0.32611693  0.01109590
   0.38098526  0.43622928  0.33988002
   0.54700781  0.35315665  0.18716183
   0.29400703  0.37390120  0.17008170
   0.22391513  0.14672656  0.43904954
  -0.05104433  0.19613248  0.42425039
   0.05318220 -0.00729089  0.52246418
   0.44156965  0.24623855  0.82159727
   0.08563409  0.22442328  0.59847531
   0.38120989  0.50767039  0.84514390
   0.49959642  0.41912710  0.68374216
   0.23574114  0.37001562  0.72710153
   0.24868495  0.10364140 -0.07624325
   0.00706316  0.13524116  0.98208994
   0.15820589  0.57430684  0.06578506
   0.38853033  0.69519347  0.27460843
   0.18096195  0.82723826  0.07041288
   0.40183287  0.94570032  0.37300665
   0.46717374  0.93593246  0.19857875
   0.20351257  0.91434958  0.25246810
   0.30737732  0.63797026  0.44892009
   0.07430115  0.52093616  0.41350705
   0.25069420  0.42184816  0.53134996
   0.33666329  0.72344923  0.72380327
   0.10923325  0.74643760  0.51784280
   0.37929784  0.96359906  0.80275520
   0.54081505  0.83534528  0.64102908
   0.23748806  0.93916059  0.63591233
   0.29089870  0.72439554 -0.08262241
   0.02831272  0.70857980  0.92679483
   0.68028454  0.06136837  0.09331080
   0.85241894  0.20539200  0.22898057
   0.61043930  0.32481508  0.00931798
   0.87447430  0.45259629  0.29668758
   0.05720533  0.37490564  0.17545699
   0.77081162  0.46654771  0.12747540
   0.70956507  0.20544250  0.38148700
   0.47963175  0.17453339  0.45624528
   0.70981636  0.07629160  0.54267379
   0.94220088  0.27679122  0.82206055
   0.63825929  0.34851340  0.53434433
   0.89221821  0.51092094  0.86439416
   1.06634847  0.52350760  0.61973307
   0.76222368  0.41805785  0.69896397
   0.77430155  0.11244752  0.90982666
   0.52297487  0.08177506  0.94768248
   0.56316084  0.57602942  0.04258401
   0.93151479  0.72086570  0.28001801
   0.56210575  0.84205117  0.03281166
   0.87448745  0.98126271  0.33385740
   0.95489764  0.92914692  0.15953574
   0.71894154  0.83064041  0.19727882
   0.81931196  0.60834814  0.43760337
   0.57013121  0.59040785  0.39887563
   0.65076717  0.60771660  0.59186625
   0.81507758  0.76085337  0.79948283
   0.67674049  0.84093990  0.47717135
   0.96978148  0.99944115  0.81897963
   0.99186829  0.84238225  0.67298494
   0.75303185  0.98072804  0.70039187
   0.77422217  0.70740988  0.97246263
   0.55264186  0.70711892  0.86425555
   0.78680661  0.81113651  0.62246618
   1.04705268  0.94283067  0.45569416
   0.90741003  0.30889740  0.07615575
   0.74328076  1.11022465  0.15346252
   0.46342056  0.04671944  0.64190286
   0.49314696  1.14670423  1.13574478
   0.52657538  1.32787732 -0.03241736
   0.44915621  1.18257710  0.09907648
   0.69676134  0.35149003  0.86498298
   0.57356748  0.73854936  0.63346465
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.885229   -0.009495   -0.082055
    -0.000000    9.644868    0.247929
    -0.000000    0.000000   13.995498
   Si   O    H 
    32    64    10
Direct configuration=  3342
   0.15484001  0.16025702  0.00411458
   0.36988703  0.11276876  0.38771223
   0.16988905  0.41357618  0.09729031
   0.40120212  0.33687804  0.24935121
   0.08586088  0.16402027  0.49171100
   0.39472176  0.09983345  0.87441836
   0.15071339  0.38558710  0.62627144
   0.39088125  0.39006167  0.76467670
   0.16756170  0.70129928 -0.01211749
   0.41526628  0.58444855  0.37304807
   0.12871472  0.93681289  0.14557413
   0.35351663  0.85926838  0.27567841
   0.16112063  0.57535123  0.49903370
   0.39588654  0.67512541  0.83031336
   0.10922418  0.86095210  0.59496424
   0.39015709  0.92771098  0.68813499
   0.65136673  0.14260545  0.99038330
   0.85053818  0.15150211  0.33787077
   0.61769071  0.43450574  0.10341415
   0.88746846  0.37389965  0.18221754
   0.63604691  0.19910064  0.48233534
   0.93086202  0.13515774  0.88189232
   0.63591363  0.45120237  0.62463419
   0.81727924  0.38566358  0.80996186
   0.61801655  0.70674245 -0.02379281
   0.93827958  0.58440560  0.35597371
   0.59697405  0.90612325  0.13687541
   0.86198387  0.86379107  0.24589532
   0.67898873  0.67571399  0.47216882
   0.88648471  0.67451455  0.88819238
   0.68810974  0.91456824  0.59532357
   0.88269559  0.89629674  0.74935730
   0.18283544  0.08964620  0.11029881
   0.37964339  0.18665951  0.28725218
   0.19036039  0.32588917  0.01010434
   0.38200913  0.43428187  0.33954193
   0.54633250  0.35271301  0.18796997
   0.29460560  0.37379732  0.17032947
   0.22302148  0.14794413  0.43845224
  -0.04887243  0.19603400  0.42437841
   0.05081810 -0.00865195  0.52233813
   0.44148474  0.24599092  0.82320277
   0.08754909  0.22396605  0.59810868
   0.37886076  0.50780674  0.84449443
   0.49954052  0.42110771  0.68343719
   0.23634881  0.36927825  0.72731422
   0.24963024  0.10159500 -0.07594581
   0.00598145  0.13326445  0.98277450
   0.15812778  0.57242653  0.06632843
   0.38999212  0.69480239  0.27519330
   0.18152021  0.82882743  0.06988714
   0.40343768  0.94716342  0.37313348
   0.46870725  0.93877468  0.19792478
   0.20347846  0.91435362  0.25207341
   0.30831716  0.64053429  0.44822665
   0.07492264  0.52160736  0.41338640
   0.24998179  0.42128787  0.53260880
   0.33528961  0.72451475  0.72327775
   0.11015580  0.74587866  0.51796046
   0.37914854  0.96346909  0.80415194
   0.54094043  0.83500671  0.64166987
   0.23761837  0.93848258  0.63535165
   0.29142704  0.72368385 -0.08303643
   0.02800844  0.70815659  0.92673902
   0.68087368  0.06472082  0.09380739
   0.85084541  0.20559570  0.22814920
   0.61094900  0.32497951  0.00884656
   0.87467242  0.45247598  0.29675321
   0.05783018  0.37707437  0.17706947
   0.77203731  0.46721780  0.12784873
   0.71050968  0.20742611  0.38179870
   0.47930122  0.17674604  0.45626054
   0.71053469  0.07762839  0.54210795
   0.94180219  0.27840627  0.82135328
   0.63795557  0.34823404  0.53409251
   0.89293534  0.51241584  0.86414601
   1.06449618  0.52350003  0.62045433
   0.76129085  0.41918657  0.69945475
   0.77389616  0.11205456  0.90933875
   0.52341336  0.08038539  0.94767925
   0.56296142  0.57571971  0.04220411
   0.93237795  0.72021649  0.28163145
   0.56087433  0.84390427  0.03384549
   0.87428406  0.98046772  0.33317641
   0.95645682  0.92916775  0.16075465
   0.71881164  0.82915361  0.19643428
   0.82027420  0.60979783  0.43737027
   0.56879245  0.59121717  0.39743182
   0.65033443  0.60695493  0.59132944
   0.81727536  0.75875698  0.79947362
   0.67619388  0.84125043  0.47689605
   0.97057360  0.99822155  0.81874689
   0.99123231  0.84295879  0.67446338
   0.75127403  0.97985609  0.69999782
   0.77435603  0.70867607  0.97281463
   0.55356996  0.70664993  0.86339757
   0.78662282  0.80848427  0.62303605
   1.03942358  0.94004347  0.45559385
   0.90377785  0.30522769  0.08337988
   0.75215623  1.11354769  0.14861876
   0.46206609  0.05532595  0.64440843
   0.49033556  1.14887224  1.13291768
   0.53033921  1.33145986 -0.02514349
   0.45098834  1.18557089  0.09571571
   0.69168032  0.35010996  0.86286970
   0.57518631  0.73418684  0.64439910
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886172   -0.006249   -0.085445
    -0.000000    9.644580    0.248164
    -0.000000    0.000000   13.994226
   Si   O    H 
    32    64    10
Direct configuration=  3343
   0.15517694  0.15853813  0.00475959
   0.36973907  0.11287677  0.38707811
   0.16920765  0.41390148  0.09834670
   0.40146247  0.33731461  0.24858469
   0.08652458  0.16208572  0.49132309
   0.39462947  0.09902592  0.87501057
   0.15065494  0.38502954  0.62581182
   0.39227400  0.38950658  0.76420300
   0.16804720  0.69999237 -0.01215943
   0.41370679  0.58476644  0.37233092
   0.12888749  0.93534706  0.14537043
   0.35335487  0.85909974  0.27613576
   0.16159895  0.57584412  0.49857553
   0.39629917  0.67529248  0.83108394
   0.10844694  0.86092068  0.59475758
   0.38872362  0.92666865  0.68912814
   0.65215485  0.14442241  0.99108030
   0.85148907  0.15123086  0.33840631
   0.61763280  0.43549764  0.10381925
   0.88738375  0.37430708  0.18111834
   0.63667118  0.19930136  0.48247734
   0.93141355  0.13482345  0.88133139
   0.63530167  0.45252213  0.62414871
   0.81656332  0.38574948  0.80843106
   0.61784311  0.70600492 -0.02472733
   0.93785851  0.58470194  0.35554372
   0.59786837  0.90510154  0.13705038
   0.86179171  0.86519091  0.24514597
   0.67914762  0.67454274  0.47225303
   0.88737653  0.67490926  0.88805996
   0.68973723  0.91483068  0.59612118
   0.88266677  0.89539120  0.74917233
   0.18492726  0.09181052  0.11092079
   0.37907598  0.18427676  0.28740518
   0.19126100  0.32490180  0.00841538
   0.38313599  0.43247422  0.33893290
   0.54493450  0.35171856  0.18953717
   0.29434277  0.37415613  0.17004233
   0.22262076  0.14892127  0.43796769
  -0.04534000  0.19581853  0.42471860
   0.04912171 -0.00976728  0.52165814
   0.44018809  0.24526538  0.82438130
   0.08891945  0.22325207  0.59740317
   0.37608840  0.50655678  0.84320073
   0.49955874  0.42332003  0.68288091
   0.23683878  0.36896934  0.72693336
   0.25081622  0.09953437 -0.07589481
   0.00400224  0.13125675  0.98324722
   0.15782863  0.57162854  0.06698933
   0.39171883  0.69431239  0.27597545
   0.18252543  0.82948845  0.06944720
   0.40461820  0.94770593  0.37326210
   0.46970331  0.94136018  0.19769102
   0.20261202  0.91478350  0.25203068
   0.30871245  0.64340333  0.44784762
   0.07417611  0.52211663  0.41321994
   0.24773355  0.42104295  0.53400889
   0.33445156  0.72615080  0.72228874
   0.11106622  0.74544014  0.51822897
   0.37920736  0.96359609  0.80575555
   0.54139715  0.83569920  0.64142386
   0.23820338  0.93702352  0.63434793
   0.29231428  0.72293412 -0.08353100
   0.02915390  0.70798280  0.92635369
   0.68232313  0.06801813  0.09543569
   0.84865088  0.20563946  0.22745273
   0.61240001  0.32450359  0.00849039
   0.87515075  0.45282987  0.29706573
   0.05803724  0.37870185  0.17893425
   0.77270099  0.46845184  0.12807201
   0.71103474  0.20900294  0.38149943
   0.47856575  0.17825452  0.45617048
   0.71100616  0.07786468  0.54212640
   0.94138521  0.27888262  0.82045958
   0.63801248  0.34784697  0.53388907
   0.89347151  0.51328676  0.86362464
   1.06221167  0.52301048  0.62094094
   0.76024659  0.41977260  0.70054142
   0.77240319  0.11242848  0.90990310
   0.52407628  0.07884982  0.94751255
   0.56268870  0.57521118  0.04198993
   0.93361361  0.72001411  0.28322769
   0.56025951  0.84529585  0.03486367
   0.87495559  0.97955712  0.33240072
   0.95832721  0.92875892  0.16168818
   0.71797282  0.82735119  0.19603111
   0.82152573  0.61092744  0.43748415
   0.56739445  0.59182143  0.39621094
   0.65037697  0.60808632  0.58992150
   0.81945575  0.75747301  0.80012742
   0.67568837  0.84185038  0.47700510
   0.97118827  0.99755007  0.81853284
   0.99205943  0.84390073  0.67597430
   0.75041933  0.97932618  0.69946214
   0.77571526  0.71040910  0.97331792
   0.55479371  0.70583917  0.86304708
   0.78968759  0.80566829  0.62332740
   1.03084552  0.94710312  0.46369795
   0.89642309  0.30094651  0.08855387
   0.75335348  1.12148026  0.13915735
   0.45730773  0.06502533  0.64922052
   0.48217353  1.14958697  1.13345004
   0.52206008  1.33888920 -0.02521942
   0.45031318  1.18862671  0.09152068
   0.69179985  0.34833576  0.85822477
   0.57315881  0.72799104  0.65411605
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.886907   -0.002506   -0.087880
    -0.000000    9.644339    0.248306
    -0.000000    0.000000   13.992640
   Si   O    H 
    32    64    10
Direct configuration=  3344
   0.15541886  0.15728101  0.00532134
   0.36951140  0.11273939  0.38717664
   0.16909179  0.41475638  0.09942259
   0.40188388  0.33781343  0.24809448
   0.08738770  0.16056067  0.49081797
   0.39479166  0.09844285  0.87497834
   0.15104035  0.38409146  0.62532340
   0.39314202  0.38910291  0.76358826
   0.16785459  0.70024804 -0.01186495
   0.41218353  0.58530995  0.37140317
   0.12888745  0.93432049  0.14526749
   0.35321219  0.85937595  0.27653930
   0.16246806  0.57654945  0.49826885
   0.39655767  0.67535029  0.83191592
   0.10697572  0.86025011  0.59484315
   0.38764232  0.92592143  0.69031979
   0.65328498  0.14572184  0.99122518
   0.85212188  0.15059550  0.33941677
   0.61701698  0.43626279  0.10417601
   0.88715976  0.37451624  0.18020964
   0.63639543  0.19948493  0.48243314
   0.93171106  0.13352437  0.88055278
   0.63499327  0.45378742  0.62370558
   0.81606802  0.38642553  0.80683081
   0.61722732  0.70492742 -0.02559419
   0.93715250  0.58482207  0.35476788
   0.59839632  0.90463666  0.13673303
   0.86161025  0.86628184  0.24452070
   0.67953539  0.67320753  0.47289145
   0.88777060  0.67530803  0.88788933
   0.69154025  0.91506766  0.59686632
   0.88204533  0.89531753  0.74903787
   0.18662171  0.09305753  0.11150828
   0.37820047  0.18237333  0.28739402
   0.19224445  0.32273031  0.00699028
   0.38406633  0.43178151  0.33858033
   0.54380941  0.35062087  0.19087253
   0.29472345  0.37433076  0.16943813
   0.22294013  0.14923233  0.43705264
  -0.04139729  0.19564331  0.42512138
   0.04745886 -0.00996595  0.52059633
   0.43903097  0.24479466  0.82466817
   0.09113384  0.22282971  0.59705689
   0.37470633  0.50474683  0.84157458
   0.49953191  0.42444964  0.68221372
   0.23753675  0.36905250  0.72638481
   0.25223577  0.09770019 -0.07594706
   0.00190395  0.12881861  0.98366004
   0.15805147  0.57055033  0.06834015
   0.39420557  0.69448603  0.27640704
   0.18386678  0.83019672  0.06885901
   0.40544670  0.94861625  0.37289797
   0.47062416  0.94310063  0.19703726
   0.20192955  0.91470647  0.25156743
   0.30897263  0.64656522  0.44774274
   0.07190357  0.52301429  0.41309170
   0.24521425  0.42119307  0.53546748
   0.33388131  0.72808017  0.72146074
   0.11201552  0.74476769  0.51866023
   0.38042886  0.96353808  0.80716946
   0.54176565  0.83551153  0.64127101
   0.23956600  0.93634590  0.63293310
   0.29320034  0.72260376 -0.08394635
   0.03025876  0.70843307  0.92657779
   0.68345835  0.07115363  0.09698924
   0.84674205  0.20563952  0.22685332
   0.61343128  0.32363946  0.00812456
   0.87530408  0.45234399  0.29707000
   0.05617413  0.37983341  0.18104869
   0.77197951  0.47048189  0.12892607
   0.71203464  0.21036983  0.38121187
   0.47810518  0.17965453  0.45626228
   0.71166071  0.07733745  0.54198359
   0.94130684  0.27961632  0.81996958
   0.63822389  0.34840227  0.53397228
   0.89435020  0.51420399  0.86324281
   1.06017047  0.52221592  0.62157519
   0.75948833  0.41888176  0.70126411
   0.77049803  0.11282300  0.91050727
   0.52430762  0.07694469  0.94664516
   0.56241857  0.57443724  0.04204089
   0.93489288  0.72048997  0.28432011
   0.55913194  0.84583069  0.03624670
   0.87592890  0.97895832  0.33159097
   0.96050159  0.92870724  0.16176544
   0.71747324  0.82594193  0.19563878
   0.82299120  0.61153700  0.43782563
   0.56701150  0.59295117  0.39599337
   0.65042526  0.60897150  0.58838438
   0.82095501  0.75631834  0.80040442
   0.67540798  0.84280715  0.47704368
   0.97165472  0.99801694  0.81813450
   0.99282609  0.84434537  0.67700984
   0.74991560  0.97913093  0.69955678
   0.77747276  0.71149366  0.97412651
   0.55559410  0.70556337  0.86247682
   0.79356248  0.80219613  0.62233855
   1.02099434  0.94968973  0.46710118
   0.89227776  0.29310625  0.08775508
   0.74813021  1.12794371  0.12982670
   0.44820989  0.06879761  0.65490740
   0.47254343  1.15004110  1.12961139
   0.52019436  1.34586675 -0.02639451
   0.44892461  1.18902155  0.08861887
   0.69338194  0.34787226  0.85180686
   0.57070921  0.72501627  0.66168172
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887480    0.001661   -0.089980
    -0.000000    9.644153    0.248440
    -0.000000    0.000000   13.990985
   Si   O    H 
    32    64    10
Direct configuration=  3345
   0.15594123  0.15670742  0.00607071
   0.36847157  0.11252152  0.38723809
   0.16837636  0.41584393  0.10051687
   0.40320948  0.33834517  0.24749573
   0.08814552  0.15942326  0.49058411
   0.39489404  0.09783862  0.87456642
   0.15135118  0.38312896  0.62524297
   0.39326154  0.38848782  0.76340720
   0.16779086  0.70096733 -0.01142666
   0.41102124  0.58613946  0.37022294
   0.12861649  0.93344050  0.14481993
   0.35366232  0.86021377  0.27702236
   0.16397509  0.57766651  0.49764537
   0.39676594  0.67538066  0.83268550
   0.10597353  0.86006464  0.59507759
   0.38670831  0.92544030  0.69148796
   0.65425929  0.14688907  0.99064872
   0.85310810  0.14964744  0.34011674
   0.61632997  0.43708708  0.10508748
   0.88717838  0.37460776  0.17973216
   0.63640357  0.20023891  0.48248476
   0.93219007  0.13167369  0.87951278
   0.63524090  0.45385816  0.62314669
   0.81532112  0.38776490  0.80534214
   0.61630167  0.70355469 -0.02689424
   0.93631394  0.58488374  0.35365899
   0.59880886  0.90449075  0.13671257
   0.86176846  0.86734525  0.24408587
   0.67945230  0.67149823  0.47305669
   0.88787969  0.67546538  0.88751519
   0.69328319  0.91492369  0.59698874
   0.88137993  0.89542654  0.74921111
   0.18764803  0.09381294  0.11164370
   0.37753670  0.18057337  0.28701340
   0.19318144  0.32017230  0.00587206
   0.38536385  0.43149238  0.33816357
   0.54368252  0.35134950  0.19173157
   0.29511516  0.37480121  0.16881379
   0.22388408  0.15026641  0.43587471
  -0.03764354  0.19553006  0.42493151
   0.04654178 -0.00875319  0.52078094
   0.43742519  0.24519520  0.82391082
   0.09348788  0.22165799  0.59760129
   0.37251489  0.50338266  0.84077245
   0.49872419  0.42494728  0.68164775
   0.23874283  0.36934296  0.72556073
   0.25327485  0.09486284 -0.07608303
  -0.00024835  0.12583064  0.98388779
   0.15801189  0.57001182  0.06967553
   0.39569513  0.69489036  0.27633100
   0.18495942  0.83065514  0.06791918
   0.40579529  0.94970567  0.37252379
   0.47144170  0.94489208  0.19650622
   0.20161209  0.91453286  0.25081901
   0.30944868  0.64904597  0.44746076
   0.06898948  0.52416995  0.41317179
   0.24345313  0.42190685  0.53649155
   0.33416185  0.72977618  0.72129549
   0.11268281  0.74448104  0.51896101
   0.38082273  0.96393443  0.80862672
   0.54160633  0.83462876  0.64108325
   0.24125161  0.93533606  0.63147364
   0.29363825  0.72201628 -0.08420704
   0.03252074  0.70930834  0.92742405
   0.68358800  0.07320266  0.09810226
   0.84521208  0.20504822  0.22624691
   0.61365872  0.32238779  0.00719432
   0.87497978  0.45201376  0.29712549
   0.05336220  0.38100352  0.18322164
   0.77100734  0.47267660  0.12880926
   0.71273290  0.21114436  0.38101545
   0.47730608  0.18017032  0.45669436
   0.71295270  0.07570884  0.54208855
   0.94081795  0.27944868  0.81987539
   0.63933608  0.34993522  0.53426657
   0.89500356  0.51428304  0.86252089
   1.05910758  0.52153748  0.62183250
   0.75804699  0.41764926  0.70144264
   0.76899035  0.11344467  0.91100812
   0.52400081  0.07543964  0.94611851
   0.56248312  0.57384323  0.04234559
   0.93644663  0.72108562  0.28534185
   0.55838487  0.84658071  0.03747638
   0.87721413  0.97779990  0.33046590
   0.96338057  0.92877775  0.16117580
   0.71756597  0.82542603  0.19553105
   0.82433831  0.61392054  0.43809578
   0.56667947  0.59427291  0.39595730
   0.64973621  0.60991282  0.58633066
   0.82241879  0.75627468  0.80047265
   0.67566589  0.84343249  0.47721373
   0.97187973  0.99816962  0.81716210
   0.99413320  0.84515478  0.67809499
   0.75081153  0.97927506  0.69953576
   0.77907396  0.71226624  0.97468686
   0.55657540  0.70532762  0.86229954
   0.79396153  0.79630918  0.61705672
   1.00345629  0.93949987  0.45538373
   0.88706514  0.28463114  0.08482492
   0.74883011  1.13988525  0.12765928
   0.43893893  0.06951533  0.65920965
   0.46406230  1.14628213  1.12661845
   0.52810469  1.35157242 -0.02829493
   0.44467848  1.18906993  0.08345632
   0.69470545  0.34720222  0.84630379
   0.56760271  0.72902585  0.66530630
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.888602    0.005444   -0.092060
    -0.000000    9.643587    0.248671
    -0.000000    0.000000   13.989709
   Si   O    H 
    32    64    10
Direct configuration=  3346
   0.15674068  0.15606978  0.00621551
   0.36724472  0.11226080  0.38742247
   0.16807099  0.41637972  0.10179578
   0.40432559  0.33850911  0.24681697
   0.08855043  0.15816960  0.49054217
   0.39563110  0.09717362  0.87407944
   0.15107844  0.38199230  0.62551008
   0.39312897  0.38776110  0.76379269
   0.16818240  0.70161390 -0.01098093
   0.40955935  0.58701404  0.36943278
   0.12805794  0.93319715  0.14440014
   0.35417591  0.86156885  0.27733407
   0.16516505  0.57866576  0.49768403
   0.39691976  0.67556896  0.83313454
   0.10481182  0.86022775  0.59568745
   0.38588097  0.92445704  0.69278386
   0.65537094  0.14754239  0.98998660
   0.85336930  0.14901164  0.34089147
   0.61632122  0.43801070  0.10602433
   0.88734413  0.37460989  0.17996528
   0.63561640  0.20076416  0.48198190
   0.93266258  0.12972867  0.87839384
   0.63579241  0.45363865  0.62274189
   0.81490369  0.38918179  0.80410993
   0.61537453  0.70219897 -0.02801681
   0.93548900  0.58463474  0.35248842
   0.59978000  0.90435709  0.13699368
   0.86211350  0.86848295  0.24387111
   0.67936722  0.66968948  0.47317730
   0.88795636  0.67513765  0.88755415
   0.69493919  0.91451841  0.59699370
   0.88054721  0.89513717  0.74947982
   0.18789268  0.09501679  0.11174642
   0.37764039  0.17923716  0.28596639
   0.19274751  0.31788078  0.00453037
   0.38623148  0.43042038  0.33815413
   0.54405031  0.35244862  0.19172339
   0.29461232  0.37538877  0.16775661
   0.22535170  0.15092869  0.43481121
  -0.03401587  0.19511348  0.42420569
   0.04487844 -0.00857485  0.52039258
   0.43580959  0.24558801  0.82272669
   0.09627771  0.22062910  0.59845215
   0.37055542  0.50219155  0.83995444
   0.49872143  0.42507535  0.68127410
   0.23989561  0.36938583  0.72491493
   0.25335295  0.09356783 -0.07609821
  -0.00177301  0.12280776  0.98411853
   0.15816969  0.57004181  0.07046310
   0.39612215  0.69518375  0.27636259
   0.18628497  0.83004518  0.06699202
   0.40575560  0.95063119  0.37168542
   0.47163304  0.94533446  0.19618424
   0.20158753  0.91341922  0.25014327
   0.30932528  0.65131584  0.44706382
   0.06545137  0.52569207  0.41276713
   0.24259983  0.42206134  0.53704554
   0.33530281  0.73256316  0.72129897
   0.11309868  0.74274904  0.51926980
   0.38169509  0.96350110  0.80955499
   0.54074866  0.83437878  0.64113444
   0.24224956  0.93428235  0.63003460
   0.29341673  0.72107826 -0.08403718
   0.03468554  0.71113534  0.92776545
   0.68329386  0.07432277  0.09910709
   0.84361069  0.20474666  0.22566902
   0.61329283  0.32072991  0.00607291
   0.87402466  0.45176475  0.29718357
   0.05153132  0.38201165  0.18479470
   0.76993709  0.47464924  0.12830463
   0.71276710  0.21165209  0.37987280
   0.47609159  0.18068627  0.45709949
   0.71440811  0.07394434  0.54260105
   0.94009024  0.27924133  0.81999346
   0.64020959  0.35131788  0.53493726
   0.89543243  0.51437899  0.86158545
   1.05821185  0.52078699  0.62230118
   0.75648091  0.41780677  0.70065380
   0.76751978  0.11317824  0.91121172
   0.52369477  0.07334262  0.94521635
   0.56299575  0.57367945  0.04293910
   0.93775579  0.72279100  0.28621093
   0.55821097  0.84783230  0.03785094
   0.87891767  0.97609938  0.32905482
   0.96613533  0.92952186  0.16073646
   0.71712450  0.82514854  0.19630655
   0.82523125  0.61582681  0.43845331
   0.56667671  0.59578567  0.39714707
   0.64839518  0.61213397  0.58436020
   0.82304378  0.75645240  0.80071826
   0.67576155  0.84475258  0.47699159
   0.97196359  0.99978875  0.81631524
   0.99665747  0.84567760  0.67879843
   0.75178553  0.97928178  0.69956616
   0.78070989  0.71272308  0.97509542
   0.55766649  0.70510633  0.86160942
   0.79101914  0.79036781  0.61028031
   0.98964602  0.93286368  0.45118544
   0.88060423  0.27755035  0.08015400
   0.75343450  1.14950121  0.13074565
   0.42878933  0.06439869  0.66149978
   0.45336097  1.14342104  1.12447638
   0.53889124  1.35614710 -0.02832714
   0.43878153  1.19023133  0.07686685
   0.68981107  0.34169283  0.84424339
   0.56255647  0.73972887  0.66721348
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889646    0.009243   -0.094360
    -0.000000    9.643097    0.248959
    -0.000000    0.000000   13.988411
   Si   O    H 
    32    64    10
Direct configuration=  3347
   0.15764749  0.15507174  0.00638614
   0.36665310  0.11212243  0.38793215
   0.16794147  0.41574545  0.10328931
   0.40479905  0.33822411  0.24633665
   0.08887620  0.15671817  0.49061453
   0.39645143  0.09705039  0.87365430
   0.15052001  0.38048597  0.62663234
   0.39270309  0.38685228  0.76378381
   0.16907395  0.70181735 -0.01032052
   0.40860113  0.58774644  0.36824636
   0.12779999  0.93282687  0.14401838
   0.35479432  0.86236584  0.27767251
   0.16681307  0.57986592  0.49819900
   0.39676850  0.67593230  0.83348336
   0.10348057  0.86077051  0.59656863
   0.38542847  0.92395607  0.69395186
   0.65675619  0.14771184  0.98944482
   0.85394873  0.14826560  0.34182584
   0.61666328  0.43928561  0.10644636
   0.88743996  0.37394225  0.18030439
   0.63490140  0.20092837  0.48122382
   0.93324897  0.12805508  0.87782940
   0.63645246  0.45316754  0.62230251
   0.81475943  0.39090252  0.80342072
   0.61407848  0.70105918 -0.02924311
   0.93486053  0.58374242  0.35171850
   0.60047335  0.90328504  0.13746706
   0.86297041  0.86977466  0.24371520
   0.67884497  0.66856216  0.47336954
   0.88816994  0.67523561  0.88783125
   0.69632732  0.91469255  0.59686476
   0.87978595  0.89490412  0.74990131
   0.18814343  0.09643826  0.11219301
   0.37804203  0.17893773  0.28502288
   0.19242554  0.31582561  0.00321487
   0.38697604  0.42955891  0.33813402
   0.54433386  0.35316671  0.19179896
   0.29450573  0.37726967  0.16674248
   0.22656852  0.15146649  0.43365756
  -0.03209934  0.19493112  0.42271838
   0.04315380 -0.00833280  0.51975829
   0.43327192  0.24596132  0.82160158
   0.09818472  0.21953150  0.59925228
   0.36954628  0.50257531  0.83955958
   0.49829468  0.42605613  0.68069246
   0.24056432  0.36968934  0.72434444
   0.25311322  0.09243564 -0.07622227
  -0.00248875  0.12046269  0.98432837
   0.15807456  0.57143984  0.07102802
   0.39557967  0.69586349  0.27634712
   0.18788266  0.82917526  0.06611341
   0.40495480  0.95142982  0.37113350
   0.47120092  0.94564838  0.19605144
   0.20191894  0.91183750  0.24959079
   0.30861459  0.65268207  0.44653051
   0.06193921  0.52689038  0.41170769
   0.24201701  0.42268664  0.53760921
   0.33679509  0.73449981  0.72200958
   0.11362203  0.74065727  0.51972304
   0.38249048  0.96293440  0.80991656
   0.53915410  0.83429538  0.64083385
   0.24274944  0.93341257  0.62865681
   0.29336743  0.72078446 -0.08363110
   0.03669519  0.71283715  0.92722176
   0.68312222  0.07600449  0.10030773
   0.84243915  0.20373211  0.22529829
   0.61259385  0.31888614  0.00568105
   0.87343471  0.45066674  0.29714745
   0.05061017  0.38226049  0.18593221
   0.76937666  0.47647525  0.12795803
   0.71275585  0.21199231  0.37867471
   0.47416287  0.18067135  0.45704816
   0.71585313  0.07185111  0.54286306
   0.93909314  0.27902001  0.82045608
   0.64094336  0.35193292  0.53586772
   0.89535085  0.51449891  0.86059577
   1.05716787  0.51963385  0.62185154
   0.75502476  0.41738503  0.69932443
   0.76652413  0.11277103  0.91144289
   0.52310625  0.07213433  0.94512945
   0.56280049  0.57368867  0.04365759
   0.93855205  0.72510084  0.28714479
   0.55820151  0.84822647  0.03738102
   0.88009289  0.97516763  0.32790618
   0.96835942  0.92994731  0.15999148
   0.71722462  0.82532949  0.19703957
   0.82638259  0.61795551  0.43848078
   0.56693912  0.59781275  0.39826361
   0.64742177  0.61489971  0.58283057
   0.82374875  0.75749270  0.80148890
   0.67565569  0.84593916  0.47702818
   0.97159529  1.00176828  0.81529569
   0.99914062  0.84569707  0.67875879
   0.75297239  0.97898772  0.69973834
   0.78177831  0.71278125  0.97538384
   0.55862642  0.70536681  0.86111294
   0.78745399  0.78456210  0.60630355
   0.98271674  0.93391609  0.45391624
   0.87487401  0.27183777  0.07740376
   0.75575464  1.15017944  0.13803632
   0.41952306  0.06236824  0.66186102
   0.44204875  1.14377948  1.11781397
   0.53875737  1.36559106 -0.03461684
   0.43108451  1.18549674  0.07590129
   0.68417654  0.34136169  0.84238632
   0.55606094  0.75298666  0.66824510
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890636    0.012748   -0.096093
    -0.000000    9.642707    0.249170
    -0.000000    0.000000   13.986958
   Si   O    H 
    32    64    10
Direct configuration=  3348
   0.15879609  0.15438908  0.00597096
   0.36654279  0.11193311  0.38846392
   0.16723842  0.41543615  0.10463221
   0.40553708  0.33695820  0.24608285
   0.08954502  0.15492156  0.49135964
   0.39699062  0.09666498  0.87299213
   0.14999768  0.37909397  0.62771885
   0.39209667  0.38653681  0.76377780
   0.17041313  0.70177471 -0.00953741
   0.40761930  0.58802345  0.36786018
   0.12813555  0.93256988  0.14399809
   0.35554798  0.86337609  0.27806993
   0.16843811  0.58111112  0.49879927
   0.39625468  0.67569446  0.83390604
   0.10243313  0.86193096  0.59715428
   0.38442880  0.92309905  0.69544063
   0.65828783  0.14769924  0.98875690
   0.85495931  0.14755760  0.34236800
   0.61640801  0.44083222  0.10637755
   0.88708242  0.37358331  0.18080432
   0.63403993  0.20153032  0.48038301
   0.93371268  0.12712500  0.87732475
   0.63694037  0.45265116  0.62170801
   0.81446494  0.39300541  0.80299589
   0.61309109  0.70089942 -0.03001648
   0.93407713  0.58315212  0.35128914
   0.60094389  0.90225896  0.13762293
   0.86396079  0.87067365  0.24352195
   0.67812246  0.66769750  0.47314915
   0.88850424  0.67568320  0.88849600
   0.69762447  0.91414222  0.59622097
   0.87919576  0.89501517  0.75009504
   0.18771922  0.09672127  0.11278794
   0.37845764  0.17947147  0.28359930
   0.19218857  0.31530466  0.00276731
   0.38792784  0.42746360  0.33780617
   0.54494943  0.35431519  0.19129232
   0.29501147  0.37987146  0.16587424
   0.22723094  0.15193000  0.43272654
  -0.03165252  0.19544127  0.42106914
   0.04166032 -0.00864806  0.51932279
   0.43112868  0.24602543  0.82039634
   0.09933253  0.21889414  0.59997186
   0.36918565  0.50376843  0.83913998
   0.49743252  0.42701876  0.68044846
   0.24134926  0.36976911  0.72394412
   0.25291219  0.09114439 -0.07636040
  -0.00238218  0.11882655  0.98485474
   0.15812791  0.57355081  0.07129581
   0.39452331  0.69604463  0.27560898
   0.18854875  0.82807600  0.06533027
   0.40497470  0.95215910  0.37050356
   0.47050429  0.94529421  0.19635978
   0.20244467  0.91057351  0.24879507
   0.30753444  0.65446705  0.44611110
   0.05861118  0.52747928  0.41087294
   0.24201298  0.42374192  0.53793279
   0.33844584  0.73600458  0.72371916
   0.11447853  0.73895858  0.51957066
   0.38345053  0.96231660  0.80992469
   0.53789715  0.83615680  0.64064288
   0.24358160  0.93318322  0.62751470
   0.29326924  0.72068020 -0.08311012
   0.03892754  0.71454300  0.92645646
   0.68400782  0.07743280  0.10167582
   0.84150507  0.20297587  0.22499315
   0.61150632  0.31707623  0.00521769
   0.87280211  0.44952081  0.29702538
   0.04965820  0.38250791  0.18646535
   0.76856867  0.47856512  0.12712321
   0.71277258  0.21202790  0.37794180
   0.47260365  0.17959062  0.45731564
   0.71592882  0.06993393  0.54318474
   0.93838260  0.27770841  0.82117400
   0.64128542  0.35217091  0.53624292
   0.89573358  0.51455794  0.85985700
   1.05655103  0.51852682  0.62190686
   0.75435220  0.41701375  0.69801030
   0.76569394  0.11289188  0.91187750
   0.52237158  0.07128812  0.94506978
   0.56177832  0.57269549  0.04443975
   0.93856017  0.72732921  0.28857050
   0.55853040  0.84780000  0.03651081
   0.88108126  0.97492609  0.32689065
   0.97000863  0.93065145  0.15926419
   0.71744370  0.82598526  0.19788625
   0.82697708  0.62019088  0.43864893
   0.56627687  0.59935766  0.39881494
   0.64613182  0.61564326  0.58217023
   0.82469036  0.75823179  0.80212407
   0.67513350  0.84725428  0.47735843
   0.97147316  1.00288774  0.81453611
   1.00163742  0.84522032  0.67879468
   0.75385776  0.97935417  0.69969410
   0.78224798  0.71240892  0.97597675
   0.55848025  0.70647440  0.86085824
   0.78422333  0.78337731  0.60478791
   0.98099959  0.94090522  0.46050352
   0.86930480  0.26938112  0.07780527
   0.75539648  1.14784195  0.14749228
   0.41316396  0.06312850  0.66052562
   0.43275441  1.14231030  1.11646623
   0.53873567  1.37395897 -0.04168822
   0.42157697  1.18343881  0.07123967
   0.68088635  0.34150542  0.84323191
   0.55491560  0.74152752  0.67681906
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891506    0.016021   -0.098011
    -0.000000    9.641981    0.249971
    -0.000000    0.000000   13.985220
   Si   O    H 
    32    64    10
Direct configuration=  3349
   0.15969802  0.15339517  0.00574072
   0.36647481  0.11088170  0.38903666
   0.16649379  0.41404571  0.10588523
   0.40585077  0.33653233  0.24616780
   0.09043809  0.15320441  0.49199679
   0.39727163  0.09651213  0.87236248
   0.14935086  0.37888425  0.62881355
   0.39159832  0.38612183  0.76353266
   0.17238707  0.70134067 -0.00880261
   0.40715194  0.58862789  0.36800377
   0.12863046  0.93236227  0.14410165
   0.35698971  0.86388597  0.27850502
   0.16836586  0.58234564  0.49955669
   0.39597595  0.67558744  0.83440716
   0.10221003  0.86288572  0.59772763
   0.38346976  0.92236693  0.69671656
   0.65967381  0.14776515  0.98790753
   0.85560000  0.14648866  0.34311227
   0.61639437  0.44237634  0.10620720
   0.88705062  0.37320931  0.18154638
   0.63364095  0.20194978  0.47957941
   0.93347474  0.12646387  0.87693647
   0.63777926  0.45202633  0.62150054
   0.81445155  0.39439996  0.80301381
   0.61275048  0.70086614 -0.03031955
   0.93328648  0.58218135  0.35096773
   0.60136723  0.90167042  0.13783279
   0.86596578  0.87173218  0.24292217
   0.67772615  0.66686265  0.47280561
   0.88872957  0.67544118  0.88935056
   0.69880718  0.91398076  0.59509908
   0.87933329  0.89519126  0.75030455
   0.18682218  0.09664622  0.11342371
   0.37871137  0.18073302  0.28225617
   0.19124363  0.31496980  0.00259657
   0.38885094  0.42443701  0.33814990
   0.54533004  0.35540146  0.19040473
   0.29587816  0.38158790  0.16530422
   0.22767364  0.15258021  0.43197819
  -0.03168836  0.19582159  0.41997495
   0.03984404 -0.00946626  0.51870373
   0.42892582  0.24674932  0.81967447
   0.10113638  0.21879826  0.60000759
   0.36893671  0.50546010  0.83855467
   0.49652500  0.42731223  0.67988003
   0.24159038  0.37034104  0.72384280
   0.25224432  0.08925776 -0.07666619
  -0.00207913  0.11707221  0.98512483
   0.15750008  0.57607788  0.07135560
   0.39359841  0.69676735  0.27536785
   0.18869047  0.82773816  0.06512988
   0.40464997  0.95192231  0.36995479
   0.47035908  0.94430937  0.19652043
   0.20200429  0.91003844  0.24792662
   0.30631636  0.65591343  0.44563362
   0.05646464  0.52738904  0.41095110
   0.24225904  0.42484533  0.53755292
   0.34117609  0.73724289  0.72599611
   0.11469817  0.73804155  0.51941968
   0.38451198  0.96158151  0.81003677
   0.53715375  0.83858186  0.64075495
   0.24411743  0.93317300  0.62653789
   0.29372549  0.72063033 -0.08187916
   0.04072641  0.71591174  0.92537766
   0.68494826  0.07853040  0.10323002
   0.84062666  0.20286647  0.22497846
   0.61083168  0.31617791  0.00500350
   0.87204626  0.44841419  0.29625964
   0.04851369  0.38272153  0.18684463
   0.76833972  0.48020224  0.12665464
   0.71292528  0.21238209  0.37762434
   0.47195419  0.17908886  0.45819141
   0.71587328  0.06890039  0.54316449
   0.93811047  0.27664830  0.82237833
   0.64064515  0.35211482  0.53629350
   0.89629757  0.51466906  0.85920848
   1.05579392  0.51658246  0.62182846
   0.75362687  0.41640626  0.69651110
   0.76493354  0.11271395  0.91168644
   0.52206446  0.07140266  0.94534193
   0.56046445  0.57110873  0.04495830
   0.93929667  0.72971189  0.28916167
   0.55849508  0.84696932  0.03547809
   0.88166445  0.97582424  0.32573632
   0.97102417  0.93086527  0.15855061
   0.71762638  0.82691342  0.19784539
   0.82708798  0.62256858  0.43938145
   0.56532236  0.60078385  0.39970598
   0.64536256  0.61590049  0.58141183
   0.82576164  0.75858120  0.80137773
   0.67420401  0.84831865  0.47729915
   0.97139137  1.00363535  0.81347793
   1.00390068  0.84468644  0.67961026
   0.75439464  0.97970835  0.69997639
   0.78262468  0.71176808  0.97656848
   0.55787666  0.70798664  0.86089828
   0.77941111  0.77983568  0.60387908
   0.98272320  0.95452459  0.47022891
   0.86444469  0.27117072  0.08030261
   0.75128792  1.14385511  0.15494580
   0.40936249  0.06631988  0.65778987
   0.42559524  1.14364257  1.11722581
   0.54492662  1.37631561 -0.04449675
   0.41324088  1.18637076  0.06322943
   0.68081520  0.34472202  0.84415962
   0.55224134  0.73424911  0.68023885
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892994    0.019025   -0.099634
    -0.000000    9.641242    0.250726
    -0.000000    0.000000   13.983490
   Si   O    H 
    32    64    10
Direct configuration=  3350
   0.16061428  0.15255989  0.00515282
   0.36624296  0.10947880  0.38942270
   0.16556270  0.41230518  0.10654345
   0.40605981  0.33641275  0.24664296
   0.09124531  0.15260360  0.49226884
   0.39722807  0.09638258  0.87138799
   0.14897188  0.37915849  0.62990857
   0.39103459  0.38632439  0.76291787
   0.17427701  0.70125543 -0.00769583
   0.40667644  0.58930523  0.36845786
   0.12923679  0.93285987  0.14414699
   0.35854160  0.86480641  0.27925023
   0.16786978  0.58367961  0.50037898
   0.39492232  0.67615479  0.83467844
   0.10303595  0.86315139  0.59791555
   0.38246662  0.92206785  0.69792620
   0.65995988  0.14794179  0.98749024
   0.85633544  0.14567275  0.34372166
   0.61599775  0.44315903  0.10637242
   0.88673986  0.37268554  0.18249252
   0.63322795  0.20245885  0.47937761
   0.93306716  0.12622061  0.87711010
   0.63832181  0.45122111  0.62121183
   0.81407735  0.39528250  0.80336985
   0.61185110  0.70111459 -0.03034743
   0.93153679  0.58081220  0.35058173
   0.60186509  0.90215443  0.13797952
   0.86837291  0.87262747  0.24199652
   0.67746724  0.66674731  0.47243613
   0.88943980  0.67499868  0.89056620
   0.70004793  0.91376431  0.59367918
   0.87977887  0.89474529  0.75054517
   0.18505953  0.09613667  0.11404335
   0.37926048  0.18278228  0.28129886
   0.19005027  0.31583402  0.00308323
   0.39040028  0.42238906  0.33889013
   0.54587875  0.35656523  0.19006524
   0.29679710  0.38326223  0.16428524
   0.22763691  0.15326475  0.43165278
  -0.03160994  0.19611816  0.41911702
   0.03872381 -0.01023390  0.51845281
   0.42714103  0.24645402  0.81935800
   0.10245621  0.21847759  0.60013844
   0.36951753  0.50780874  0.83859321
   0.49562775  0.42783086  0.67949519
   0.24172637  0.37031684  0.72420643
   0.25178633  0.08748954 -0.07629137
  -0.00153092  0.11515135  0.98545486
   0.15762738  0.57820754  0.07127778
   0.39298195  0.69636952  0.27560192
   0.18826074  0.82739417  0.06476239
   0.40421151  0.95112317  0.36976446
   0.47044686  0.94353308  0.19686707
   0.20155556  0.90998513  0.24719329
   0.30635310  0.65658665  0.44499652
   0.05574996  0.52649545  0.41199166
   0.24255464  0.42467905  0.53691724
   0.34410080  0.73769326  0.72886314
   0.11478966  0.73808510  0.51903525
   0.38481742  0.96110573  0.81060200
   0.53661893  0.84010994  0.64118626
   0.24396465  0.93312603  0.62536462
   0.29444715  0.72060875 -0.08089637
   0.04055410  0.71672099  0.92451908
   0.68576768  0.07992903  0.10424488
   0.84034061  0.20251073  0.22539210
   0.60969617  0.31624638  0.00419175
   0.87108256  0.44740289  0.29580812
   0.04748550  0.38326354  0.18656788
   0.76825096  0.48141053  0.12657205
   0.71323319  0.21296899  0.37734124
   0.47216750  0.17849672  0.45900756
   0.71581120  0.06830390  0.54305070
   0.93811644  0.27601654  0.82400327
   0.64083500  0.35082346  0.53548045
   0.89728758  0.51458032  0.85838587
   1.05475089  0.51492544  0.62146182
   0.75343283  0.41564792  0.69531228
   0.76463823  0.11287090  0.91145059
   0.52310319  0.07271148  0.94590189
   0.55918430  0.56938875  0.04566237
   0.93953966  0.73094650  0.28957789
   0.55839306  0.84552002  0.03418737
   0.88212654  0.97813794  0.32472964
   0.97129239  0.93158755  0.15763598
   0.71877522  0.82795975  0.19832989
   0.82761642  0.62417102  0.44019204
   0.56421180  0.60204421  0.40068897
   0.64479172  0.61543863  0.58071809
   0.82641688  0.75855758  0.80067882
   0.67321300  0.84962989  0.47722885
   0.97176466  1.00388076  0.81291513
   1.00590697  0.84355415  0.68051556
   0.75465486  0.98014053  0.70042129
   0.78220097  0.71101765  0.97723918
   0.55678250  0.70920996  0.86051956
   0.77357765  0.77815051  0.60786151
   0.98252240  0.96182858  0.47820883
   0.86242524  0.27755605  0.08278953
   0.74838814  1.13650704  0.16224941
   0.41224818  0.06768975  0.65568109
   0.41980210  1.14985654  1.10884687
   0.55954340  1.36896209 -0.04256676
   0.40745786  1.17836228  0.06333148
   0.68364364  0.35213412  0.84644520
   0.54839745  0.73851769  0.67541108
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894651    0.022026   -0.100938
    -0.000000    9.640561    0.252108
    -0.000000    0.000000   13.981651
   Si   O    H 
    32    64    10
Direct configuration=  3351
   0.16181806  0.15199155  0.00487268
   0.36616034  0.10831322  0.38941132
   0.16373281  0.41040503  0.10686769
   0.40587749  0.33670589  0.24706953
   0.09170409  0.15203698  0.49228552
   0.39732764  0.09652810  0.87027090
   0.14886068  0.37996986  0.63059386
   0.39010025  0.38679308  0.76270869
   0.17574003  0.70152798 -0.00677922
   0.40674524  0.58929748  0.36921319
   0.13022021  0.93356328  0.14415043
   0.35920812  0.86549856  0.27971065
   0.16682794  0.58450627  0.50053428
   0.39335217  0.67643438  0.83477620
   0.10368527  0.86297450  0.59833328
   0.38168889  0.92188110  0.69825224
   0.66019278  0.14795036  0.98722444
   0.85662210  0.14549843  0.34393573
   0.61559076  0.44355451  0.10601718
   0.88598273  0.37151409  0.18327563
   0.63286212  0.20195192  0.47918499
   0.93196974  0.12618657  0.87744297
   0.63901730  0.45044142  0.62145118
   0.81384264  0.39587962  0.80379126
   0.61099171  0.70130733 -0.03020788
   0.92980207  0.57903909  0.35017304
   0.60225487  0.90266954  0.13778288
   0.87034839  0.87254475  0.24103790
   0.67736165  0.66714251  0.47235200
   0.89026001  0.67529137  0.89176649
   0.70114127  0.91329493  0.59276727
   0.88060734  0.89465471  0.75082901
   0.18242340  0.09576147  0.11444844
   0.38025938  0.18413242  0.28078834
   0.18857895  0.31786935  0.00374478
   0.39211975  0.42166433  0.33986548
   0.54634327  0.35713180  0.19008570
   0.29846433  0.38435028  0.16397452
   0.22659148  0.15390309  0.43075857
  -0.03123989  0.19619045  0.41864078
   0.03922322 -0.00958279  0.51998162
   0.42575590  0.24599803  0.81922015
   0.10363496  0.21735966  0.60047854
   0.37025733  0.51060532  0.83855833
   0.49488604  0.42745894  0.67878173
   0.24130161  0.36956480  0.72500531
   0.25127598  0.08594692 -0.07560348
  -0.00053490  0.11307857  0.98556379
   0.15807844  0.57939201  0.07166482
   0.39210555  0.69683305  0.27562724
   0.18816152  0.82772574  0.06478054
   0.40325716  0.95036752  0.36951863
   0.46999414  0.94294685  0.19725036
   0.20144586  0.91101058  0.24670620
   0.30667723  0.65706532  0.44416578
   0.05587382  0.52560108  0.41371665
   0.24353627  0.42453569  0.53591395
   0.34665227  0.73713434  0.73123935
   0.11437237  0.73844768  0.51961619
   0.38566871  0.96075610  0.81084085
   0.53680603  0.83961174  0.64144097
   0.24347324  0.93221345  0.62442310
   0.29595651  0.72117187 -0.07968710
   0.04048301  0.71822880  0.92324998
   0.68712419  0.08103615  0.10475790
   0.83999970  0.20192506  0.22618230
   0.60949458  0.31681704  0.00388162
   0.86984231  0.44755476  0.29559631
   0.04641997  0.38407923  0.18585264
   0.76869814  0.48210034  0.12677189
   0.71342971  0.21300014  0.37718645
   0.47236483  0.17816947  0.45998077
   0.71495212  0.06845703  0.54271713
   0.93806496  0.27617133  0.82503968
   0.64098048  0.34977249  0.53401650
   0.89834694  0.51492546  0.85787147
   1.05341501  0.51290595  0.62116656
   0.75351561  0.41485654  0.69432111
   0.76527478  0.11335697  0.91137027
   0.52426586  0.07267649  0.94689547
   0.55813222  0.56796408  0.04650831
   0.93952147  0.73231269  0.28979931
   0.55794325  0.84374424  0.03282838
   0.88138450  0.98089367  0.32457390
   0.97084001  0.93196365  0.15703198
   0.72071067  0.82905806  0.19856962
   0.82745279  0.62641623  0.44063741
   0.56291128  0.60267613  0.40185697
   0.64456799  0.61404140  0.58034076
   0.82707452  0.75827461  0.79996745
   0.67188538  0.85114958  0.47678867
   0.97243944  1.00440271  0.81185423
   1.00737317  0.84174113  0.68157671
   0.75408461  0.98072439  0.70078594
   0.78088833  0.71085407  0.97722893
   0.55545179  0.70995611  0.85995200
   0.77437785  0.77926440  0.61114388
   0.94808282  0.95219044  0.46154858
   0.86249161  0.28975975  0.08341775
   0.74427009  1.12997947  0.16583928
   0.41542842  0.07041256  0.65644608
   0.41691672  1.14851643  1.10791573
   0.56823590  1.36217090 -0.04301516
   0.39978274  1.17740845  0.05928621
   0.68913912  0.35745229  0.84972569
   0.54586701  0.75180953  0.66688324
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895989    0.025615   -0.101852
    -0.000000    9.640171    0.252977
    -0.000000    0.000000   13.979402
   Si   O    H 
    32    64    10
Direct configuration=  3352
   0.16270406  0.15147809  0.00485406
   0.36681303  0.10729973  0.38919415
   0.16207775  0.40917684  0.10697996
   0.40533872  0.33678717  0.24747639
   0.09211279  0.15124592  0.49222479
   0.39778549  0.09658640  0.86956629
   0.14833558  0.38089542  0.63107508
   0.38913942  0.38761254  0.76264334
   0.17672849  0.70176323 -0.00587810
   0.40696403  0.58835983  0.36990234
   0.13109320  0.93439182  0.14416325
   0.35960954  0.86622249  0.27967091
   0.16562843  0.58435363  0.50007483
   0.39226660  0.67701629  0.83462989
   0.10434375  0.86219316  0.59769002
   0.38107770  0.92133578  0.69802913
   0.66031474  0.14780738  0.98718070
   0.85674984  0.14530960  0.34409140
   0.61505854  0.44355027  0.10549704
   0.88493368  0.37006152  0.18367412
   0.63262748  0.20058084  0.47903063
   0.93063283  0.12611564  0.87768991
   0.63948058  0.45029654  0.62147229
   0.81364816  0.39638537  0.80412630
   0.61011002  0.70156362 -0.02964227
   0.92757817  0.57735976  0.34938222
   0.60289667  0.90363103  0.13740827
   0.87268172  0.87169741  0.24037156
   0.67702800  0.66810268  0.47224897
   0.89044013  0.67565945  0.89277943
   0.70185117  0.91263393  0.59150396
   0.88157303  0.89503189  0.75072695
   0.17985005  0.09545220  0.11441490
   0.38040698  0.18389093  0.28069500
   0.18700913  0.31970691  0.00445607
   0.39328114  0.42194275  0.34122323
   0.54691667  0.35751312  0.18992497
   0.29977983  0.38518905  0.16404032
   0.22520343  0.15412305  0.43008323
  -0.03007955  0.19634732  0.41852963
   0.03955210 -0.00885057  0.52077027
   0.42488715  0.24506016  0.81962471
   0.10477507  0.21684246  0.60071275
   0.37113458  0.51312662  0.83855991
   0.49411935  0.42682945  0.67825882
   0.24039285  0.36816993  0.72552694
   0.25036340  0.08427121 -0.07519442
   0.00054073  0.11002266  0.98574079
   0.15850882  0.57893119  0.07225435
   0.39100825  0.69749330  0.27520793
   0.18811048  0.82850508  0.06568086
   0.40218934  0.94977647  0.36962962
   0.46965797  0.94213539  0.19773405
   0.20120749  0.91149679  0.24673188
   0.30678593  0.65605992  0.44368369
   0.05690105  0.52624219  0.41523777
   0.24414718  0.42421571  0.53496385
   0.34832934  0.73691349  0.73307060
   0.11361620  0.73934894  0.52029177
   0.38670488  0.96065474  0.81117203
   0.53686727  0.84038290  0.64190534
   0.24242333  0.93163828  0.62314672
   0.29801579  0.72142949 -0.07858282
   0.04008820  0.71888422  0.92266401
   0.68837236  0.08169405  0.10557089
   0.83993435  0.20116377  0.22709921
   0.61061125  0.31608611  0.00481823
   0.86812233  0.44798183  0.29562553
   0.04646379  0.38429074  0.18549702
   0.76882159  0.48229253  0.12679452
   0.71300006  0.21274435  0.37635071
   0.47365006  0.17813908  0.46028618
   0.71369760  0.06856268  0.54223796
   0.93828816  0.27759120  0.82566929
   0.64190897  0.34816029  0.53262547
   0.90003090  0.51576259  0.85777083
   1.05244764  0.51048473  0.62106119
   0.75435440  0.41288341  0.69405767
   0.76616393  0.11448564  0.91102798
   0.52516725  0.07258799  0.94768735
   0.55638148  0.56702350  0.04733053
   0.93921857  0.73242957  0.28973215
   0.55786920  0.84142305  0.03148505
   0.88008190  0.98284558  0.32449852
   0.97015878  0.93246233  0.15663326
   0.72276440  0.83057225  0.19861385
   0.82718061  0.62879089  0.44069903
   0.56174446  0.60311522  0.40275349
   0.64453964  0.61175316  0.58008216
   0.82760857  0.75768868  0.79937620
   0.67069017  0.85216282  0.47632577
   0.97262848  1.00425331  0.81026504
   1.00772774  0.83970331  0.68275390
   0.75320147  0.98105705  0.70122438
   0.77949582  0.70995923  0.97810028
   0.55414739  0.70978220  0.85954328
   0.77860294  0.78111334  0.61619358
   0.92684596  0.94421131  0.45209930
   0.86532827  0.30308620  0.08676331
   0.74055837  1.12752467  0.16048815
   0.42075364  0.07002940  0.65801074
   0.41593079  1.14576201  1.10760496
   0.56139932  1.36596546 -0.05531861
   0.39420257  1.18218196  0.05191693
   0.69485825  0.36283099  0.85354523
   0.54517145  0.75346071  0.66322304
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897398    0.028801   -0.102774
    -0.000000    9.639675    0.254074
    -0.000000    0.000000   13.977751
   Si   O    H 
    32    64    10
Direct configuration=  3353
   0.16372207  0.15131724  0.00446834
   0.36747645  0.10624973  0.38857803
   0.16026949  0.40748315  0.10672791
   0.40437093  0.33651090  0.24766836
   0.09220438  0.15109928  0.49221297
   0.39826111  0.09672056  0.86909468
   0.14820636  0.38195317  0.63125548
   0.38873231  0.38787536  0.76225704
   0.17775355  0.70196722 -0.00541546
   0.40718901  0.58716065  0.37094513
   0.13154414  0.93518397  0.14396222
   0.35976448  0.86653600  0.27932646
   0.16433720  0.58410524  0.49949015
   0.39140457  0.67708600  0.83463799
   0.10421943  0.86124993  0.59670685
   0.37990535  0.92112364  0.69706601
   0.66057300  0.14762775  0.98732204
   0.85705123  0.14530685  0.34441870
   0.61491184  0.44379020  0.10496196
   0.88364802  0.36828204  0.18420835
   0.63283152  0.19944577  0.47890554
   0.92933640  0.12613876  0.87797712
   0.63945955  0.45070074  0.62151463
   0.81399969  0.39662244  0.80429261
   0.60939297  0.70162908 -0.02888085
   0.92584753  0.57586635  0.34872203
   0.60316254  0.90444768  0.13681610
   0.87447130  0.87093176  0.23944882
   0.67688012  0.66926886  0.47203938
   0.89013821  0.67561531  0.89383144
   0.70231864  0.91202601  0.59057284
   0.88213719  0.89521010  0.75044558
   0.17799575  0.09509401  0.11432446
   0.38105733  0.18287406  0.28099854
   0.18492235  0.32160792  0.00489431
   0.39352650  0.42333659  0.34246124
   0.54691969  0.35827978  0.18956055
   0.30003837  0.38583573  0.16333021
   0.22412006  0.15353616  0.42952934
  -0.02882618  0.19670196  0.41858485
   0.03830853 -0.00852910  0.52103845
   0.42480339  0.24369425  0.82034031
   0.10610717  0.21683740  0.60048512
   0.37208189  0.51554635  0.83851951
   0.49265843  0.42569910  0.67762084
   0.23874758  0.36738568  0.72561290
   0.25002261  0.08226956 -0.07461282
   0.00169772  0.10722613  0.98582543
   0.15911961  0.57735912  0.07247891
   0.38896528  0.69749407  0.27543299
   0.18801362  0.82919717  0.06679924
   0.40035380  0.94912257  0.37002267
   0.46963764  0.94159164  0.19819944
   0.20125340  0.91118948  0.24740759
   0.30667652  0.65413801  0.44384020
   0.05882461  0.52697201  0.41600779
   0.24392199  0.42311180  0.53471772
   0.34986773  0.73717390  0.73464516
   0.11220644  0.74055712  0.52190138
   0.38744947  0.95999514  0.81113480
   0.53731650  0.84312106  0.64167053
   0.24248538  0.93145905  0.62278499
   0.30040122  0.72100940 -0.07794067
   0.03984498  0.71980770  0.92220433
   0.68936404  0.08177734  0.10603175
   0.83982215  0.20043367  0.22823168
   0.61155019  0.31593994  0.00499674
   0.86607479  0.44815644  0.29564979
   0.04558411  0.38445304  0.18517840
   0.76933436  0.48226557  0.12668844
   0.71270116  0.21293221  0.37601057
   0.47575208  0.17879827  0.46064082
   0.71261165  0.06968077  0.54153615
   0.93874269  0.27841791  0.82628672
   0.64260180  0.34635149  0.53175522
   0.90102301  0.51712992  0.85731191
   1.05079066  0.50832413  0.62078557
   0.75573974  0.41080306  0.69421701
   0.76787735  0.11489849  0.91072469
   0.52625677  0.07240442  0.94787882
   0.55508322  0.56725968  0.04775633
   0.93856841  0.73356282  0.29020900
   0.55742279  0.83876096  0.03060685
   0.87905012  0.98424707  0.32479198
   0.96905451  0.93269058  0.15626801
   0.72440454  0.83152773  0.19910102
   0.82665092  0.63013037  0.44051712
   0.56084121  0.60364586  0.40400464
   0.64488932  0.60858616  0.58031018
   0.82803525  0.75750510  0.79943426
   0.66927051  0.85202398  0.47642931
   0.97349757  1.00303830  0.80933162
   1.00700848  0.83713594  0.68411962
   0.75217446  0.98134622  0.70209821
   0.77836979  0.70853409  0.97857392
   0.55254350  0.70994235  0.85912258
   0.78105756  0.78478974  0.62071247
   0.91899277  0.93885524  0.44926167
   0.87250538  0.31348205  0.08666554
   0.74023382  1.13167735  0.15414600
   0.42606027  0.06579806  0.65870771
   0.41707734  1.14941569  1.09935223
   0.55753637  1.36430323 -0.06096189
   0.39239957  1.18303516  0.05072464
   0.69642542  0.36659628  0.85828756
   0.54753916  0.73301735  0.66451860
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898466    0.031429   -0.103526
    -0.000000    9.639220    0.254522
    -0.000000    0.000000   13.975921
   Si   O    H 
    32    64    10
Direct configuration=  3354
   0.16410111  0.15101796  0.00388421
   0.36830546  0.10561540  0.38810952
   0.15837945  0.40604603  0.10674903
   0.40338921  0.33693500  0.24777668
   0.09217081  0.14974931  0.49277023
   0.39853638  0.09671674  0.86830386
   0.14789615  0.38299900  0.63145334
   0.38845210  0.38772904  0.76219664
   0.17832936  0.70290626 -0.00484269
   0.40690513  0.58647538  0.37178195
   0.13216527  0.93609261  0.14392366
   0.35996095  0.86628792  0.27855511
   0.16352862  0.58319205  0.49872987
   0.39063240  0.67729165  0.83464195
   0.10408171  0.86077162  0.59571613
   0.37884782  0.92099817  0.69636277
   0.66084790  0.14685227  0.98758409
   0.85712837  0.14552249  0.34436695
   0.61527304  0.44371293  0.10450171
   0.88137679  0.36627686  0.18482683
   0.63363116  0.19873638  0.47901914
   0.92810943  0.12591877  0.87842529
   0.63905792  0.45087280  0.62118778
   0.81478631  0.39720675  0.80457703
   0.60866089  0.70287962 -0.02789906
   0.92431821  0.57520710  0.34873987
   0.60324003  0.90528981  0.13661046
   0.87669255  0.87030473  0.23833357
   0.67666078  0.67148466  0.47190064
   0.88971226  0.67581213  0.89460856
   0.70235744  0.91103986  0.59010200
   0.88217619  0.89619742  0.75016428
   0.17567558  0.09492851  0.11448448
   0.38097027  0.18192950  0.28098008
   0.18324454  0.32273138  0.00552553
   0.39338361  0.42481925  0.34351769
   0.54599344  0.35873444  0.18912003
   0.30027964  0.38619537  0.16314389
   0.22294298  0.15388430  0.42880714
  -0.02787748  0.19766873  0.41865969
   0.03698662 -0.00865659  0.52127032
   0.42389159  0.24241598  0.82071800
   0.10651931  0.21755786  0.59999675
   0.37305794  0.51696789  0.83847007
   0.49165118  0.42453705  0.67705601
   0.23730239  0.36652993  0.72573608
   0.25046254  0.08102996 -0.07508954
   0.00328336  0.10484544  0.98532918
   0.15968466  0.57561751  0.07265515
   0.38749609  0.69792975  0.27594310
   0.18793242  0.83081803  0.06745004
   0.39896909  0.94829165  0.37062363
   0.47016317  0.94072298  0.19859220
   0.20219703  0.91067081  0.24862422
   0.30586166  0.65224687  0.44431304
   0.06056571  0.52824003  0.41619199
   0.24320593  0.42258859  0.53445436
   0.35139334  0.73708827  0.73534079
   0.11091821  0.74115827  0.52391089
   0.38860934  0.95958050  0.81118784
   0.53713579  0.84542334  0.64144374
   0.24293789  0.93183956  0.62321862
   0.30262226  0.72012314 -0.07755607
   0.03958896  0.72055387  0.92149034
   0.68935644  0.08093859  0.10557555
   0.84007662  0.20054076  0.22902655
   0.61170389  0.31625817  0.00462796
   0.86443127  0.44872485  0.29519514
   0.04541379  0.38448019  0.18444755
   0.76970418  0.48105959  0.12697413
   0.71207288  0.21297931  0.37635751
   0.47728939  0.17930860  0.46044727
   0.71241257  0.07137882  0.54113258
   0.93875423  0.27912084  0.82667896
   0.64313209  0.34438420  0.53114346
   0.90168038  0.51812484  0.85698201
   1.04942040  0.50629159  0.62032324
   0.75792304  0.40846690  0.69447457
   0.77074484  0.11455990  0.91032096
   0.52700817  0.07217485  0.94708505
   0.55366552  0.56783617  0.04771173
   0.93816443  0.73459494  0.29021328
   0.55733734  0.83647712  0.02923954
   0.87787766  0.98443499  0.32497538
   0.96754550  0.93312525  0.15607095
   0.72533065  0.83282642  0.19968888
   0.82676998  0.63033721  0.43975682
   0.56016417  0.60424590  0.40544843
   0.64620417  0.60551915  0.58005319
   0.82838398  0.75701061  0.79951077
   0.66839949  0.85134165  0.47696675
   0.97405862  1.00235627  0.80834106
   1.00700553  0.83427899  0.68531259
   0.75089291  0.98159280  0.70245622
   0.77756103  0.70640976  0.97922566
   0.55119369  0.71056279  0.85872574
   0.78418713  0.78906744  0.62411293
   0.91970017  0.93559441  0.44998726
   0.87624961  0.31326064  0.08105383
   0.74330484  1.13850540  0.15090291
   0.43054428  0.06061142  0.65861166
   0.41746543  1.15246476  1.08866728
   0.55155400  1.36158683 -0.05867352
   0.39302151  1.18932793  0.05253012
   0.69113931  0.36645634  0.86192725
   0.55055503  0.72815019  0.66214031
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899608    0.033901   -0.104320
    -0.000000    9.638834    0.254824
    -0.000000    0.000000   13.974615
   Si   O    H 
    32    64    10
Direct configuration=  3355
   0.16390963  0.15120105  0.00295604
   0.36860338  0.10569501  0.38730496
   0.15708742  0.40533429  0.10599538
   0.40297656  0.33746386  0.24812248
   0.09136908  0.14889581  0.49329180
   0.39906483  0.09616724  0.86802075
   0.14753620  0.38374568  0.63123015
   0.38796607  0.38795379  0.76187761
   0.17853775  0.70400117 -0.00448792
   0.40638017  0.58659637  0.37239895
   0.13225796  0.93720619  0.14393734
   0.35928818  0.86530545  0.27767334
   0.16245679  0.58249032  0.49791993
   0.39003685  0.67696657  0.83453549
   0.10348604  0.86084385  0.59462428
   0.37779758  0.92055079  0.69599431
   0.66112687  0.14614321  0.98810127
   0.85750856  0.14687520  0.34474436
   0.61549518  0.44327951  0.10459295
   0.87908331  0.36425261  0.18554410
   0.63465711  0.19795984  0.47925538
   0.92738925  0.12505222  0.87923019
   0.63856729  0.45106982  0.62110913
   0.81604450  0.39741463  0.80448579
   0.60760243  0.70436284 -0.02730037
   0.92277144  0.57497934  0.34904098
   0.60305471  0.90570393  0.13609563
   0.87836186  0.86927289  0.23746568
   0.67582885  0.67366024  0.47195816
   0.88880897  0.67561960  0.89527548
   0.70260481  0.91055334  0.58991468
   0.88259535  0.89694395  0.74950988
   0.17346099  0.09481101  0.11462377
   0.38104108  0.18096862  0.28130646
   0.18172112  0.32405678  0.00590326
   0.39325734  0.42671278  0.34451127
   0.54525418  0.35944931  0.18887824
   0.29979539  0.38613561  0.16323602
   0.22137367  0.15390186  0.42845277
  -0.02709172  0.19809449  0.41783113
   0.03512444 -0.00909857  0.52120273
   0.42226422  0.24191557  0.82126768
   0.10668146  0.21905230  0.59841893
   0.37424800  0.51682058  0.83834312
   0.49009288  0.42391824  0.67708946
   0.23532413  0.36546334  0.72540099
   0.25165865  0.07947992 -0.07563170
   0.00499727  0.10294785  0.98460396
   0.16065482  0.57389619  0.07275882
   0.38659314  0.69868986  0.27609006
   0.18822182  0.83208084  0.06825487
   0.39774915  0.94764837  0.37146239
   0.47132244  0.93967114  0.19874546
   0.20327178  0.91021944  0.24995676
   0.30514187  0.65086672  0.44455795
   0.06275470  0.53033148  0.41617047
   0.24221316  0.42239997  0.53429916
   0.35209962  0.73772755  0.73526747
   0.10989285  0.74164367  0.52564591
   0.38914525  0.95970673  0.81115364
   0.53690537  0.84755943  0.64171323
   0.24348731  0.93229445  0.62376946
   0.30482314  0.71935850 -0.07714124
   0.03947313  0.72126736  0.92059079
   0.68838283  0.08058807  0.10475985
   0.84064071  0.20129904  0.23022092
   0.61117950  0.31637154  0.00408938
   0.86256934  0.44942772  0.29456755
   0.04570385  0.38509193  0.18396241
   0.76998886  0.47989167  0.12752785
   0.71264654  0.21303822  0.37703537
   0.47779945  0.17992506  0.45940808
   0.71238815  0.07296980  0.54154381
   0.93773513  0.27968465  0.82735257
   0.64388717  0.34292925  0.53073389
   0.90158358  0.51886051  0.85683531
   1.04754962  0.50490649  0.61969289
   0.75893582  0.40652938  0.69495824
   0.77296494  0.11378481  0.91000626
   0.52781014  0.07245882  0.94635313
   0.55202278  0.56925399  0.04720654
   0.93795387  0.73527904  0.29029204
   0.55784901  0.83448454  0.02816682
   0.87677906  0.98395782  0.32463553
   0.96720952  0.93369780  0.15584230
   0.72649881  0.83369519  0.20049946
   0.82652262  0.63021868  0.43932890
   0.55952275  0.60406566  0.40695706
   0.64758178  0.60262628  0.58011678
   0.82851181  0.75602401  0.79995813
   0.66711322  0.85077278  0.47740931
   0.97439438  1.00127708  0.80747535
   1.00725559  0.83232609  0.68603171
   0.74903557  0.98178695  0.70259962
   0.77644279  0.70349158  0.97963298
   0.55070108  0.71044074  0.85945746
   0.78774672  0.78941008  0.62719519
   0.92879802  0.93635876  0.45369553
   0.88096046  0.31082619  0.07502684
   0.74944836  1.14812677  0.14661854
   0.43230521  0.05630616  0.66020377
   0.42138948  1.14515939  1.08412542
   0.54885233  1.35203280 -0.05040261
   0.38899108  1.20688081  0.04690650
   0.68869658  0.36800235  0.86026751
   0.55215712  0.74230079  0.65637473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900569    0.036123   -0.105466
    -0.000000    9.638257    0.255228
    -0.000000    0.000000   13.972857
   Si   O    H 
    32    64    10
Direct configuration=  3356
   0.16320669  0.15178145  0.00231439
   0.36930396  0.10573232  0.38680933
   0.15619781  0.40567237  0.10569634
   0.40253453  0.33818235  0.24817235
   0.09020604  0.14912357  0.49410726
   0.39982064  0.09527376  0.86780118
   0.14752285  0.38399980  0.63072378
   0.38747675  0.38815242  0.76169086
   0.17882746  0.70425050 -0.00361582
   0.40604894  0.58613155  0.37261313
   0.13216967  0.93756224  0.14407089
   0.35875637  0.86393574  0.27685529
   0.16125118  0.58197734  0.49720762
   0.38956899  0.67682889  0.83459337
   0.10271809  0.86059433  0.59373055
   0.37704913  0.91974445  0.69559728
   0.66148303  0.14573392  0.98839176
   0.85827597  0.14842874  0.34477964
   0.61585995  0.44245183  0.10464589
   0.87643558  0.36256361  0.18628874
   0.63608542  0.19649472  0.47978990
   0.92728143  0.12419174  0.88011900
   0.63755872  0.44976108  0.62087327
   0.81757393  0.39767270  0.80444389
   0.60695274  0.70483301 -0.02713625
   0.92213046  0.57551741  0.34960214
   0.60340169  0.90532320  0.13534204
   0.87983227  0.86782537  0.23705862
   0.67436800  0.67530157  0.47214967
   0.88800564  0.67459345  0.89561564
   0.70287815  0.91023684  0.59028354
   0.88317495  0.89789506  0.74902971
   0.17117471  0.09328251  0.11466475
   0.38101942  0.18026534  0.28146405
   0.18040331  0.32477546  0.00621014
   0.39279436  0.42769513  0.34503807
   0.54361573  0.35968024  0.18850134
   0.29897919  0.38622004  0.16284162
   0.21975491  0.15301998  0.42864655
  -0.02620173  0.19842705  0.41688708
   0.03274184 -0.01094791  0.52090686
   0.42034346  0.24240224  0.82182677
   0.10640288  0.22102634  0.59762442
   0.37540744  0.51612910  0.83787545
   0.48946804  0.42299775  0.67709983
   0.23370192  0.36388429  0.72544769
   0.25236280  0.07871189 -0.07668133
   0.00627213  0.10203762  0.98352780
   0.16089553  0.57231368  0.07217869
   0.38620567  0.69887240  0.27657485
   0.18871059  0.83315130  0.06896422
   0.39717147  0.94599158  0.37221633
   0.47241202  0.93878538  0.19940992
   0.20471188  0.90956623  0.25073926
   0.30365237  0.64981389  0.44476314
   0.06424050  0.53277331  0.41471236
   0.24089170  0.42230166  0.53457908
   0.35274471  0.73908305  0.73407388
   0.10946832  0.74165108  0.52705003
   0.39009372  0.95988096  0.81106479
   0.53708518  0.84933205  0.64217510
   0.24429622  0.93227158  0.62476367
   0.30618987  0.71810557 -0.07644111
   0.03909248  0.72230271  0.91995965
   0.68678804  0.08049887  0.10367830
   0.84082488  0.20232320  0.23102791
   0.61026313  0.31679103  0.00355793
   0.86163942  0.44884912  0.29400521
   0.04550721  0.38531918  0.18361012
   0.76986230  0.47989196  0.12796243
   0.71247511  0.21290454  0.37814716
   0.47771123  0.18060615  0.45800692
   0.71177040  0.07458431  0.54258785
   0.93662511  0.27944125  0.82743893
   0.64436130  0.34273620  0.53068253
   0.90149995  0.52002498  0.85672022
   1.04563193  0.50503369  0.61952198
   0.76008471  0.40556535  0.69543679
   0.77509273  0.11323506  0.90903011
   0.52813323  0.07350134  0.94549689
   0.54917309  0.57183779  0.04624648
   0.93789781  0.73443392  0.29022318
   0.55867164  0.83276424  0.02757355
   0.87472488  0.98233631  0.32467809
   0.96706559  0.93467720  0.15524002
   0.72663623  0.83499775  0.20085658
   0.82599700  0.63004805  0.43900717
   0.55939290  0.60372054  0.40825152
   0.64877988  0.60108220  0.57986867
   0.82838851  0.75507939  0.80027647
   0.66602526  0.85009020  0.47789053
   0.97508653  1.00019789  0.80668971
   1.00750129  0.82967697  0.68620982
   0.74753157  0.98165359  0.70255513
   0.77489944  0.70111053  0.98008022
   0.55033741  0.71025614  0.86061991
   0.79180835  0.79143909  0.62680422
   0.94728237  0.94218750  0.45993758
   0.88556194  0.30590738  0.07189048
   0.75375169  1.15210100  0.14434195
   0.43646017  0.05437280  0.66241996
   0.41989941  1.14213557  1.07591252
   0.54537592  1.34147339 -0.03998835
   0.38753948  1.21493734  0.04476810
   0.69094160  0.37043286  0.85803946
   0.55146913  0.76466772  0.65093938
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901388    0.038718   -0.106432
    -0.000000    9.637446    0.255736
    -0.000000    0.000000   13.971211
   Si   O    H 
    32    64    10
Direct configuration=  3357
   0.16268582  0.15218590  0.00183030
   0.36901946  0.10675354  0.38607319
   0.15607449  0.40694303  0.10470111
   0.40247345  0.33942374  0.24868910
   0.08946386  0.14942621  0.49481880
   0.40096723  0.09458579  0.86803512
   0.14684330  0.38336074  0.62989084
   0.38651501  0.38816840  0.76109235
   0.17883125  0.70514556 -0.00253578
   0.40519179  0.58571377  0.37262690
   0.13239852  0.93751537  0.14439034
   0.35835101  0.86249526  0.27634509
   0.15967754  0.58120289  0.49681402
   0.38980342  0.67676741  0.83487254
   0.10200598  0.86014359  0.59340626
   0.37618039  0.91851009  0.69556429
   0.66176461  0.14507792  0.98872582
   0.85868213  0.14976819  0.34502206
   0.61614046  0.44245238  0.10413645
   0.87404360  0.36108222  0.18670718
   0.63843439  0.19509930  0.48031874
   0.92726431  0.12320936  0.88033887
   0.63642568  0.44842279  0.62071273
   0.81863644  0.39755416  0.80482592
   0.60678126  0.70572775 -0.02714675
   0.92124507  0.57619311  0.35002864
   0.60335281  0.90473892  0.13433716
   0.88070410  0.86669104  0.23704068
   0.67333692  0.67632299  0.47234337
   0.88662899  0.67371341  0.89621850
   0.70291401  0.90968742  0.59048347
   0.88380657  0.89874953  0.74900433
   0.16953467  0.09228431  0.11483071
   0.38106264  0.17992102  0.28178860
   0.17942227  0.32491663  0.00614828
   0.39231196  0.42839900  0.34562713
   0.54198039  0.35998738  0.18830278
   0.29851826  0.38631732  0.16250442
   0.21875105  0.15217667  0.42902716
  -0.02564419  0.19952470  0.41579920
   0.03032382 -0.01271659  0.52021832
   0.41921071  0.24371738  0.82191690
   0.10638630  0.22290933  0.59659104
   0.37586063  0.51363159  0.83759130
   0.48915445  0.42191747  0.67717512
   0.23221339  0.36221461  0.72528199
   0.25332555  0.07797343 -0.07733889
   0.00754638  0.10171117  0.98260580
   0.16085541  0.57083196  0.07157009
   0.38666891  0.69838121  0.27671694
   0.18877476  0.83330060  0.06925398
   0.39683411  0.94483181  0.37283894
   0.47362497  0.93725182  0.19940412
   0.20613748  0.90887482  0.25079695
   0.30137211  0.64892000  0.44466711
   0.06562983  0.53455992  0.41249680
   0.24008710  0.42252705  0.53457755
   0.35258169  0.74114583  0.73282211
   0.10925455  0.74042262  0.52800035
   0.39051225  0.96071726  0.81093278
   0.53763697  0.85402363  0.64242600
   0.24425119  0.93279957  0.62524792
   0.30681072  0.71679504 -0.07558795
   0.03967417  0.72333724  0.91986201
   0.68533290  0.08044292  0.10243549
   0.84106461  0.20409926  0.23171374
   0.61061524  0.31661757  0.00399016
   0.86055101  0.44788000  0.29339979
   0.04490482  0.38600597  0.18363278
   0.76996832  0.47970647  0.12862347
   0.71220745  0.21247732  0.37892274
   0.47709583  0.18109168  0.45635858
   0.71082666  0.07656571  0.54366636
   0.93545515  0.27915302  0.82727690
   0.64504042  0.34286035  0.53092510
   0.90113199  0.52042927  0.85689864
   1.04412815  0.50573321  0.61916944
   0.76088604  0.40620886  0.69591437
   0.77647481  0.11194128  0.90798099
   0.52884167  0.07438371  0.94484654
   0.54661175  0.57403028  0.04497292
   0.93787785  0.73233249  0.29052024
   0.55966572  0.83168861  0.02751988
   0.87297381  0.98144340  0.32509957
   0.96695860  0.93522864  0.15514269
   0.72666788  0.83688836  0.20072527
   0.82545738  0.62987272  0.43902576
   0.55982389  0.60337582  0.40937471
   0.64952399  0.60012833  0.57971717
   0.82841558  0.75442242  0.80040804
   0.66456854  0.84911957  0.47835996
   0.97616635  1.00030323  0.80572259
   1.00929598  0.82756540  0.68650283
   0.74725381  0.98140689  0.70270742
   0.77397558  0.69889952  0.97993508
   0.55023235  0.70997290  0.86124451
   0.79504185  0.78945503  0.62048435
   0.97353051  0.95151587  0.46652486
   0.88794253  0.30106154  0.07226627
   0.75727901  1.14834882  0.14498958
   0.44169849  0.05150177  0.66141215
   0.41414968  1.15069895  1.06426831
   0.53146384  1.33941792 -0.03625016
   0.39319305  1.21186886  0.04997849
   0.69572304  0.37587549  0.85311639
   0.55263051  0.74316170  0.64933100
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902468    0.041376   -0.107613
    -0.000000    9.636617    0.256196
    -0.000000    0.000000   13.969745
   Si   O    H 
    32    64    10
Direct configuration=  3358
   0.16170295  0.15263182  0.00179400
   0.36874610  0.10763169  0.38563874
   0.15629367  0.40794808  0.10383489
   0.40204939  0.34069603  0.24880435
   0.08979853  0.14995788  0.49522816
   0.40208738  0.09440655  0.86823156
   0.14644529  0.38230432  0.62843262
   0.38560066  0.38824717  0.76066122
   0.17830512  0.70651248 -0.00145977
   0.40460529  0.58567140  0.37272349
   0.13295229  0.93804262  0.14501005
   0.35857782  0.86153050  0.27558714
   0.15845512  0.58036991  0.49676956
   0.39055652  0.67657133  0.83474325
   0.10166642  0.85993529  0.59313102
   0.37591037  0.91728582  0.69566230
   0.66234984  0.14435168  0.98896929
   0.85838566  0.15108042  0.34521813
   0.61633712  0.44275393  0.10344008
   0.87130706  0.35949967  0.18730767
   0.64032996  0.19353325  0.48054910
   0.92749026  0.12214662  0.88048778
   0.63550457  0.44708116  0.62068609
   0.81946574  0.39792879  0.80468870
   0.60680158  0.70587686 -0.02777983
   0.92055473  0.57634416  0.35025342
   0.60350972  0.90435190  0.13337000
   0.88086167  0.86537137  0.23745593
   0.67277115  0.67716321  0.47265236
   0.88580569  0.67245605  0.89686687
   0.70270318  0.90939724  0.59047092
   0.88442252  0.89973992  0.74907524
   0.16873882  0.09235622  0.11509160
   0.38049842  0.18007765  0.28226613
   0.17892360  0.32492479  0.00544380
   0.39154662  0.42885468  0.34572687
   0.54080687  0.36000011  0.18824845
   0.29799555  0.38615551  0.16272131
   0.21815450  0.15095572  0.42987759
  -0.02537408  0.20003580  0.41490595
   0.02834701 -0.01393311  0.52003335
   0.41818745  0.24424449  0.82134604
   0.10641556  0.22405691  0.59565813
   0.37595869  0.51042248  0.83736792
   0.48914476  0.42027720  0.67751906
   0.23107780  0.36023012  0.72486443
   0.25449203  0.07699063 -0.07722926
   0.00865206  0.10188065  0.98154028
   0.16089950  0.57037643  0.07134228
   0.38614359  0.69786715  0.27705163
   0.18894980  0.83330137  0.06924729
   0.39621389  0.94381434  0.37328890
   0.47410468  0.93517850  0.19961108
   0.20716521  0.90898256  0.25105423
   0.29971172  0.64690808  0.44418754
   0.06608453  0.53634218  0.40939759
   0.23934257  0.42277221  0.53470000
   0.35172380  0.74274812  0.73077649
   0.10900038  0.73924257  0.52833544
   0.39063082  0.95981808  0.81066083
   0.53815108  0.85784380  0.64297258
   0.24365179  0.93333726  0.62648800
   0.30722990  0.71604898 -0.07454837
   0.04084865  0.72378415  0.91998128
   0.68522192  0.08057666  0.10119047
   0.84155068  0.20600577  0.23205975
   0.61158979  0.31679109  0.00492683
   0.85876063  0.44742503  0.29280505
   0.04391358  0.38659623  0.18365328
   0.76974441  0.47895539  0.12883251
   0.71286632  0.21248953  0.37903318
   0.47618555  0.18137108  0.45490455
   0.70978372  0.07735773  0.54455588
   0.93392606  0.27932119  0.82697125
   0.64578024  0.34387330  0.53120136
   0.90045877  0.51983559  0.85689665
   1.04165307  0.50642221  0.61836528
   0.76146354  0.40689423  0.69593553
   0.77688563  0.11060036  0.90792579
   0.52882989  0.07457978  0.94337917
   0.54466915  0.57627213  0.04351975
   0.93751728  0.73013175  0.29137014
   0.56080542  0.83238987  0.02815570
   0.87106408  0.98039363  0.32539015
   0.96737811  0.93560467  0.15497803
   0.72692368  0.83844613  0.20057666
   0.82540196  0.62990734  0.43948623
   0.56116992  0.60305008  0.41028094
   0.64972350  0.60014145  0.57896301
   0.82965686  0.75522675  0.80075151
   0.66301191  0.84783501  0.47872318
   0.97724393  1.00144476  0.80507797
   1.01134306  0.82547020  0.68715592
   0.74765968  0.98127986  0.70323519
   0.77227193  0.69699044  0.98020846
   0.55126232  0.70905871  0.86170912
   0.79821685  0.78779689  0.61360553
   0.99983634  0.96223206  0.47410836
   0.88808937  0.29533118  0.07508503
   0.75590269  1.14088343  0.14663732
   0.44456532  0.05315651  0.66174876
   0.41194829  1.14601420  1.05920835
   0.51555597  1.34172414 -0.03451854
   0.38920305  1.22347092  0.05395568
   0.69844460  0.38066168  0.85108449
   0.55292387  0.73335065  0.64663869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903364    0.043654   -0.109001
    -0.000000    9.636002    0.256612
    -0.000000    0.000000   13.968523
   Si   O    H 
    32    64    10
Direct configuration=  3359
   0.16059735  0.15304025  0.00224790
   0.36850899  0.10906488  0.38555484
   0.15647624  0.40969947  0.10339029
   0.40207001  0.34201214  0.24906133
   0.09114433  0.15091465  0.49627544
   0.40308129  0.09423271  0.86909146
   0.14582905  0.38145254  0.62687934
   0.38523038  0.38773211  0.76060747
   0.17731738  0.70790087 -0.00039190
   0.40421767  0.58648374  0.37255596
   0.13361087  0.93807907  0.14577018
   0.35903611  0.86107434  0.27450553
   0.15740741  0.57930901  0.49696017
   0.39117928  0.67697211  0.83425328
   0.10180269  0.85934159  0.59360978
   0.37596609  0.91584963  0.69565164
   0.66336303  0.14417581  0.98948303
   0.85774649  0.15179356  0.34561226
   0.61593609  0.44337738  0.10263201
   0.86914417  0.35865932  0.18782901
   0.64187968  0.19238117  0.48059126
   0.92796917  0.12123518  0.88050450
   0.63516153  0.44596185  0.62068904
   0.82020398  0.39859580  0.80440153
   0.60770875  0.70574547 -0.02802413
   0.91982155  0.57640119  0.35082967
   0.60377987  0.90373100  0.13243783
   0.88030694  0.86460710  0.23861276
   0.67256916  0.67812905  0.47318831
   0.88499935  0.67136288  0.89701057
   0.70234006  0.90928496  0.59103002
   0.88543185  0.90069674  0.74896201
   0.16860485  0.09321813  0.11573889
   0.38026688  0.18019689  0.28285962
   0.17782535  0.32467219  0.00503075
   0.39096770  0.42941275  0.34556690
   0.54055540  0.36055800  0.18798113
   0.29755841  0.38651012  0.16303207
   0.21794318  0.14890835  0.43093466
  -0.02446292  0.20013364  0.41449616
   0.02810476 -0.01279133  0.52321660
   0.41786542  0.24527472  0.82060212
   0.10705368  0.22492010  0.59523786
   0.37625751  0.50801225  0.83690369
   0.48947053  0.41857906  0.67732810
   0.23053356  0.35844373  0.72483985
   0.25588657  0.07718883 -0.07694629
   0.00933031  0.10249324  0.98100883
   0.16104823  0.57088352  0.07068710
   0.38528803  0.69735275  0.27803067
   0.18860025  0.83392472  0.06917360
   0.39538008  0.94313468  0.37364453
   0.47433751  0.93338259  0.20007379
   0.20769970  0.90931798  0.25098972
   0.29854809  0.64533168  0.44436202
   0.06523525  0.53856030  0.40620075
   0.23946145  0.42304510  0.53503813
   0.35137409  0.74471859  0.72897391
   0.10859896  0.73815800  0.52797526
   0.39077027  0.95805987  0.80985742
   0.53856189  0.86041984  0.64338874
   0.24277765  0.93390987  0.62732680
   0.30640655  0.71594447 -0.07292069
   0.04197300  0.72419703  0.92071595
   0.68577797  0.08069718  0.10030017
   0.84150697  0.20756697  0.23191214
   0.61256977  0.31694878  0.00539587
   0.85741173  0.44706730  0.29214501
   0.04203958  0.38659000  0.18371659
   0.76900718  0.47746413  0.12890746
   0.71316064  0.21238561  0.37896493
   0.47668817  0.18145067  0.45374858
   0.70901967  0.07826166  0.54593511
   0.93253629  0.27884575  0.82709579
   0.64670232  0.34512207  0.53208459
   0.89978543  0.51822325  0.85657732
   1.03951454  0.50701803  0.61812256
   0.76198522  0.40750026  0.69613610
   0.77648486  0.10908592  0.90766138
   0.52954125  0.07601282  0.94196812
   0.54284980  0.57838408  0.04281218
   0.93723700  0.72718136  0.29270297
   0.56162687  0.83292611  0.02897778
   0.86943539  0.98041862  0.32586327
   0.96806225  0.93627358  0.15471024
   0.72670688  0.84062814  0.20015037
   0.82466877  0.62932412  0.43987902
   0.56207063  0.60254818  0.41075185
   0.64898309  0.59968044  0.57820401
   0.83104443  0.75576281  0.80184125
   0.66195854  0.84670021  0.47925022
   0.97805541  1.00347656  0.80499995
   1.01243134  0.82436312  0.68648642
   0.74811251  0.98141577  0.70344121
   0.77038703  0.69580606  0.98006766
   0.55198316  0.70783596  0.86232380
   0.80133165  0.79111993  0.60650808
   0.98578583  0.93988888  0.42313629
   0.88552990  0.29018073  0.08151555
   0.75344361  1.13118500  0.14834022
   0.44292307  0.06038209  0.66155322
   0.40877717  1.14401575  1.05703161
   0.50772467  1.33964752 -0.03049770
   0.38841291  1.23494435  0.05766878
   0.69572013  0.38098424  0.85092606
   0.55349402  0.74353613  0.64411697
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903862    0.046552   -0.110854
    -0.000000    9.635991    0.256431
    -0.000000    0.000000   13.967228
   Si   O    H 
    32    64    10
Direct configuration=  3360
   0.16021609  0.15359014  0.00271128
   0.36810782  0.11020152  0.38580982
   0.15592747  0.41174450  0.10310164
   0.40219912  0.34312713  0.24921546
   0.09239852  0.15219905  0.49699952
   0.40344254  0.09367866  0.86962630
   0.14538703  0.38031365  0.62557628
   0.38464816  0.38724784  0.76021556
   0.17535349  0.70911670  0.00044935
   0.40379131  0.58801587  0.37225479
   0.13406456  0.93905627  0.14689171
   0.35951772  0.86108977  0.27305523
   0.15622271  0.57826805  0.49754246
   0.39133399  0.67726130  0.83356959
   0.10199937  0.85887715  0.59422218
   0.37711009  0.91437951  0.69529574
   0.66434242  0.14389133  0.98934874
   0.85650000  0.15285102  0.34584681
   0.61532552  0.44403642  0.10204135
   0.86749272  0.35873294  0.18845019
   0.64359831  0.19193642  0.48040269
   0.92871001  0.12067532  0.88037664
   0.63519769  0.44508549  0.62048543
   0.82024382  0.39882829  0.80407035
   0.60879684  0.70551870 -0.02842165
   0.91948474  0.57679178  0.35160528
   0.60388878  0.90305961  0.13177603
   0.87985369  0.86386001  0.23946945
   0.67289378  0.67837794  0.47361072
   0.88467926  0.67047886  0.89705621
   0.70215584  0.90948894  0.59173447
   0.88616921  0.90056455  0.74843448
   0.16901113  0.09387490  0.11650437
   0.37957106  0.18146604  0.28299323
   0.17690365  0.32379418  0.00452927
   0.39049901  0.42966901  0.34552332
   0.54085756  0.36094651  0.18795254
   0.29806815  0.38602486  0.16370686
   0.21765715  0.14719234  0.43180094
  -0.02395868  0.19968397  0.41455320
   0.02769669 -0.01158185  0.52589652
   0.41835718  0.24572642  0.82020715
   0.10699843  0.22600934  0.59464753
   0.37633395  0.50615985  0.83646366
   0.49007107  0.41758737  0.67678400
   0.22954435  0.35705274  0.72519509
   0.25614936  0.07706812 -0.07642650
   0.01010676  0.10290836  0.98032580
   0.16115000  0.57232157  0.06985903
   0.38573089  0.69723829  0.27865495
   0.18882235  0.83423564  0.06928110
   0.39484944  0.94192048  0.37385746
   0.47407083  0.93070106  0.20043465
   0.20751265  0.90883016  0.25074303
   0.29756131  0.64382376  0.44479581
   0.06393594  0.54131374  0.40301426
   0.24031603  0.42462503  0.53547870
   0.35127387  0.74646367  0.72776216
   0.10876521  0.73735486  0.52758455
   0.39052583  0.95655326  0.80893398
   0.53889975  0.86080117  0.64326143
   0.24163005  0.93429382  0.62804641
   0.30532825  0.71620567 -0.07126509
   0.04370810  0.72404664  0.92255047
   0.68653417  0.08053487  0.09941468
   0.84112647  0.20864581  0.23169453
   0.61354252  0.31724298  0.00573484
   0.85643482  0.44712917  0.29197224
   0.04083303  0.38643846  0.18339554
   0.76789439  0.47662052  0.12942909
   0.71439437  0.21248382  0.37928714
   0.47820224  0.18155152  0.45269498
   0.70814406  0.07838364  0.54781642
   0.93138632  0.27808306  0.82739453
   0.64697897  0.34610201  0.53251454
   0.89957579  0.51781683  0.85607625
   1.03715735  0.50689029  0.61754403
   0.76233851  0.40788800  0.69624706
   0.77564869  0.10694243  0.90753258
   0.53136947  0.07654029  0.94148401
   0.54120638  0.57903741  0.04199289
   0.93726949  0.72393101  0.29345368
   0.56151069  0.83392011  0.03012681
   0.86813402  0.98031750  0.32624948
   0.96835289  0.93670487  0.15459771
   0.72659546  0.84248038  0.19950731
   0.82388401  0.62862883  0.44006625
   0.56237337  0.60268255  0.41130479
   0.64803978  0.59994134  0.57796728
   0.83263618  0.75640896  0.80286234
   0.66090387  0.84491505  0.47938913
   0.97870108  1.00577601  0.80542959
   1.01269666  0.82412301  0.68607041
   0.74872916  0.98063836  0.70305338
   0.76896572  0.69416103  0.97982842
   0.55296874  0.70687692  0.86306415
   0.80312238  0.79521844  0.59656213
   0.97208432  0.92517127  0.38329789
   0.88359384  0.28534010  0.08535097
   0.75335092  1.12231199  0.14973417
   0.43512160  0.06404026  0.66225881
   0.40295182  1.15621953  1.05452438
   0.51463152  1.33379825 -0.02390380
   0.39047719  1.23302390  0.06025324
   0.68948527  0.37950669  0.85324619
   0.55638734  0.76506077  0.64022645
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904166    0.049634   -0.112508
    -0.000000    9.636433    0.256386
    -0.000000    0.000000   13.966000
   Si   O    H 
    32    64    10
Direct configuration=  3361
   0.16033932  0.15369749  0.00328361
   0.36787000  0.11129264  0.38642254
   0.15539006  0.41388425  0.10297566
   0.40250751  0.34410234  0.24928133
   0.09307722  0.15302206  0.49759704
   0.40398973  0.09330507  0.87001517
   0.14526940  0.37971495  0.62453819
   0.38379025  0.38648165  0.75961588
   0.17352042  0.71053578  0.00135698
   0.40369197  0.58822976  0.37236344
   0.13398768  0.93952789  0.14806591
   0.35985829  0.86130165  0.27170782
   0.15596928  0.57701192  0.49796560
   0.39168791  0.67802501  0.83330115
   0.10146644  0.85936630  0.59455342
   0.37875734  0.91275161  0.69507369
   0.66488650  0.14310535  0.98948089
   0.85573451  0.15371579  0.34621795
   0.61439817  0.44484749  0.10164809
   0.86616940  0.35952890  0.18853108
   0.64491542  0.19199104  0.48048671
   0.92948428  0.12116698  0.87986170
   0.63556249  0.44389817  0.62032752
   0.82009334  0.39904034  0.80388922
   0.60979698  0.70491263 -0.02886210
   0.91940937  0.57685710  0.35246476
   0.60337189  0.90280171  0.13086498
   0.87940772  0.86251519  0.24025416
   0.67333927  0.67820143  0.47445712
   0.88476791  0.66964613  0.89702837
   0.70207146  0.90968270  0.59280375
   0.88691297  0.90020897  0.74744212
   0.17017801  0.09544037  0.11742477
   0.37922056  0.18310425  0.28326401
   0.17628089  0.32251805  0.00406236
   0.39001634  0.42954487  0.34483198
   0.54066792  0.36122825  0.18813153
   0.29804138  0.38546610  0.16476353
   0.21788979  0.14536783  0.43218291
  -0.02371692  0.19877822  0.41458394
   0.02690702 -0.00960645  0.52838145
   0.41826062  0.24569501  0.82027071
   0.10655213  0.22644309  0.59516574
   0.37688977  0.50540711  0.83588003
   0.49071459  0.41641596  0.67652122
   0.22931850  0.35609915  0.72484773
   0.25576168  0.07788497 -0.07546094
   0.01101234  0.10323809  0.97956354
   0.16155471  0.57321690  0.06903445
   0.38656612  0.69681097  0.27853312
   0.18837311  0.83488115  0.07018642
   0.39423375  0.94052035  0.37380948
   0.47346830  0.92894809  0.19975960
   0.20677861  0.90742767  0.25120024
   0.29589484  0.64270946  0.44507023
   0.06175170  0.54378067  0.40004212
   0.24093133  0.42597039  0.53519578
   0.35158197  0.74754990  0.72655146
   0.10982405  0.73629143  0.52690437
   0.38983464  0.95513226  0.80821048
   0.53900711  0.86116714  0.64268779
   0.24024612  0.93417003  0.62919003
   0.30415380  0.71644511 -0.06978829
   0.04477440  0.72304909  0.92455817
   0.68718632  0.07975254  0.09812817
   0.84126630  0.20867890  0.23197427
   0.61327761  0.31710852  0.00607689
   0.85660247  0.44748305  0.29176955
   0.03973769  0.38713362  0.18258231
   0.76685017  0.47601964  0.13007452
   0.71648166  0.21259772  0.37914151
   0.47967918  0.18150034  0.45234992
   0.70622937  0.07797584  0.54948866
   0.93074578  0.27604303  0.82744031
   0.64738162  0.34668177  0.53266421
   0.89981294  0.51705740  0.85560603
   1.03464381  0.50665237  0.61695048
   0.76246064  0.40742209  0.69662809
   0.77427928  0.10508597  0.90751492
   0.53250828  0.07652872  0.94106139
   0.53987657  0.57962649  0.04095409
   0.93691945  0.72170038  0.29371507
   0.56176590  0.83550358  0.03192499
   0.86699952  0.98022642  0.32704716
   0.96881843  0.93714808  0.15420755
   0.72714031  0.84425053  0.19878542
   0.82284050  0.62746157  0.43939422
   0.56205719  0.60309970  0.41168160
   0.64686992  0.60031354  0.57826863
   0.83331821  0.75699539  0.80367298
   0.66035994  0.84321128  0.47987439
   0.97916529  1.00835446  0.80615051
   1.01198493  0.82462760  0.68595531
   0.74947289  0.97959382  0.70245380
   0.76845915  0.69210763  0.97931535
   0.55436721  0.70644608  0.86400708
   0.80567793  0.80154692  0.58889011
   0.95367820  0.91490612  0.34593834
   0.87903422  0.28177440  0.08775749
   0.75184588  1.12081746  0.14968689
   0.42736422  0.06770750  0.66380843
   0.39799461  1.17037451  1.05039084
   0.52738017  1.32689918 -0.01610237
   0.39092694  1.23316556  0.06223179
   0.68531052  0.37688745  0.85292268
   0.55675644  0.77347189  0.63621848
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904361    0.052257   -0.113993
    -0.000000    9.637003    0.256056
    -0.000000    0.000000   13.965318
   Si   O    H 
    32    64    10
Direct configuration=  3362
   0.16041423  0.15373487  0.00381666
   0.36789101  0.11169700  0.38686953
   0.15506049  0.41579498  0.10268076
   0.40219622  0.34489748  0.24905038
   0.09342359  0.15303202  0.49835245
   0.40449299  0.09270168  0.87025067
   0.14500576  0.37944111  0.62293899
   0.38302200  0.38542168  0.75897186
   0.17221604  0.71108197  0.00177277
   0.40363914  0.58874289  0.37256863
   0.13347821  0.94006395  0.14960477
   0.36042517  0.86152088  0.27069884
   0.15482064  0.57622233  0.49805194
   0.39103835  0.67859389  0.83324422
   0.10105117  0.86026548  0.59441009
   0.38059203  0.91164820  0.69468590
   0.66469490  0.14269120  0.98933373
   0.85503725  0.15413474  0.34679745
   0.61356200  0.44586430  0.10112270
   0.86573993  0.36085714  0.18838635
   0.64562875  0.19228892  0.48110021
   0.93003270  0.12238485  0.87883522
   0.63568424  0.44329149  0.61958154
   0.81972185  0.39851837  0.80419545
   0.61080886  0.70451829 -0.02927922
   0.91848026  0.57666933  0.35334730
   0.60246881  0.90217480  0.13007475
   0.87914491  0.86146838  0.24069773
   0.67355929  0.67843617  0.47562031
   0.88503446  0.66827774  0.89642541
   0.70285114  0.91003506  0.59400504
   0.88766141  0.89959878  0.74626881
   0.17124805  0.09732694  0.11828316
   0.37909912  0.18494031  0.28324978
   0.17549654  0.32187380  0.00364468
   0.39027586  0.42906985  0.34415455
   0.54137127  0.36103477  0.18815278
   0.29706547  0.38464276  0.16505791
   0.21846361  0.14399662  0.43245972
  -0.02356442  0.19848132  0.41406950
   0.02595269 -0.00834793  0.53088075
   0.41791021  0.24562622  0.82050357
   0.10541542  0.22638150  0.59587548
   0.37674970  0.50422245  0.83563922
   0.49200152  0.41552842  0.67621812
   0.22828786  0.35552945  0.72470140
   0.25561688  0.07904931 -0.07482795
   0.01193626  0.10329423  0.97921778
   0.16156028  0.57395685  0.06777951
   0.38711258  0.69662980  0.27836036
   0.18800354  0.83675738  0.07064800
   0.39295039  0.93977233  0.37366515
   0.47303257  0.92710333  0.19909895
   0.20612604  0.90590130  0.25182689
   0.29393272  0.64157494  0.44574430
   0.06059685  0.54630656  0.39757936
   0.24197189  0.42769311  0.53452605
   0.35192537  0.74855682  0.72596906
   0.11096091  0.73455363  0.52565360
   0.38918477  0.95325260  0.80786419
   0.53879142  0.86235219  0.64269426
   0.23937845  0.93379107  0.63028113
   0.30389757  0.71753266 -0.06831351
   0.04543862  0.72065038  0.92626416
   0.68832345  0.07987641  0.09710447
   0.84069740  0.20798291  0.23195290
   0.61376693  0.31740747  0.00617211
   0.85782996  0.44820162  0.29199395
   0.03868028  0.38741809  0.18191013
   0.76513028  0.47606682  0.13051958
   0.71778478  0.21236614  0.37879441
   0.48100751  0.18164343  0.45220957
   0.70524316  0.07677460  0.55119114
   0.93019926  0.27418379  0.82785223
   0.64848319  0.34673830  0.53224422
   0.90012969  0.51790561  0.85547188
   1.03336781  0.50590511  0.61638781
   0.76275517  0.40662974  0.69658883
   0.77327388  0.10374160  0.90792796
   0.53460564  0.07621760  0.94141481
   0.53831635  0.58051204  0.04014230
   0.93690529  0.72084357  0.29389029
   0.56136700  0.83646082  0.03377811
   0.86604527  0.97995717  0.32763409
   0.96871740  0.93820950  0.15425859
   0.72780638  0.84687175  0.19796521
   0.82191383  0.62629570  0.43884480
   0.56140846  0.60300789  0.41145765
   0.64568823  0.60041039  0.57879241
   0.83433968  0.75839155  0.80509955
   0.65955199  0.84187870  0.48043386
   0.98016904  1.01041394  0.80701842
   1.01088723  0.82503737  0.68598004
   0.75033565  0.97794661  0.70147620
   0.76907033  0.69052412  0.97870446
   0.55643172  0.70607823  0.86446966
   0.81062874  0.80792416  0.58630139
   0.93582770  0.91663845  0.31885737
   0.87347307  0.28114138  0.08859296
   0.75052123  1.11953129  0.14866989
   0.41847455  0.06520747  0.66849186
   0.39710761  1.16722396  1.04386912
   0.52296654  1.32203919 -0.01305075
   0.38787640  1.25387463  0.06738250
   0.68730306  0.37482700  0.84962342
   0.55948138  0.75066865  0.63068529
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904322    0.054800   -0.115593
    -0.000000    9.637179    0.255587
    -0.000000    0.000000   13.964517
   Si   O    H 
    32    64    10
Direct configuration=  3363
   0.16112460  0.15403659  0.00449059
   0.36734022  0.11152505  0.38720404
   0.15494588  0.41724439  0.10280860
   0.40167940  0.34556401  0.24889926
   0.09333254  0.15215778  0.49861069
   0.40419953  0.09212502  0.87061181
   0.14422754  0.37960120  0.62130698
   0.38197722  0.38407286  0.75858120
   0.17105028  0.71139866  0.00187815
   0.40358421  0.58952937  0.37312311
   0.13258818  0.94006601  0.15117854
   0.36061891  0.86166116  0.27028711
   0.15405133  0.57594582  0.49761744
   0.39075985  0.67851749  0.83286020
   0.10021113  0.86140862  0.59384717
   0.38224268  0.91102657  0.69345534
   0.66450253  0.14255724  0.98877253
   0.85408984  0.15522777  0.34691738
   0.61212859  0.44707540  0.10116954
   0.86598920  0.36199713  0.18835466
   0.64543707  0.19307722  0.48163510
   0.93047265  0.12305010  0.87820885
   0.63618969  0.44273622  0.61910269
   0.81956666  0.39842633  0.80455522
   0.61204653  0.70385111 -0.02940809
   0.91712459  0.57634605  0.35389043
   0.60145931  0.90191182  0.12964462
   0.87857350  0.85964995  0.24064451
   0.67404826  0.67914086  0.47687492
   0.88596027  0.66715248  0.89620383
   0.70300549  0.91044508  0.59506317
   0.88880995  0.89913225  0.74544665
   0.17183014  0.09901664  0.11891696
   0.37765101  0.18706051  0.28289687
   0.17503253  0.32076516  0.00376034
   0.39051224  0.42902768  0.34394311
   0.54266687  0.36077124  0.18807498
   0.29569489  0.38363507  0.16527204
   0.21909953  0.14307522  0.43247920
  -0.02270376  0.19834377  0.41400136
   0.02535563 -0.00648694  0.53238528
   0.41737739  0.24519772  0.82079375
   0.10399847  0.22600391  0.59681843
   0.37612822  0.50361462  0.83562506
   0.49368234  0.41464969  0.67618022
   0.22699050  0.35606465  0.72493721
   0.25644242  0.07905710 -0.07445752
   0.01193046  0.10344480  0.97870075
   0.16141461  0.57398396  0.06668677
   0.38786704  0.69688243  0.27788578
   0.18842493  0.83955196  0.07112805
   0.39192976  0.93954146  0.37289171
   0.47198387  0.92548286  0.19827698
   0.20586730  0.90525495  0.25184013
   0.29245854  0.64052027  0.44663488
   0.06071790  0.54848659  0.39599211
   0.24292542  0.42943715  0.53280064
   0.35343363  0.74901879  0.72562228
   0.11202265  0.73288353  0.52421324
   0.38893103  0.95214678  0.80778770
   0.53935492  0.86301246  0.64212407
   0.23896465  0.93328035  0.63118824
   0.30348782  0.71823386 -0.06737406
   0.04532554  0.71870233  0.92805492
   0.68965744  0.07863749  0.09679469
   0.84016293  0.20654174  0.23191611
   0.61426856  0.31753513  0.00650857
   0.85891544  0.44785215  0.29218097
   0.03775272  0.38732387  0.18092663
   0.76368441  0.47621769  0.13095881
   0.71850195  0.21245795  0.37875591
   0.48337153  0.18144030  0.45226146
   0.70434095  0.07521870  0.55217637
   0.92951798  0.27313258  0.82800449
   0.64936751  0.34673521  0.53149635
   0.90087619  0.51909416  0.85560072
   1.03319159  0.50517181  0.61571068
   0.76320698  0.40622126  0.69590670
   0.77230820  0.10212563  0.90830759
   0.53573618  0.07608943  0.94155420
   0.53711035  0.58093583  0.03896213
   0.93757348  0.72066273  0.29391947
   0.56082630  0.83738399  0.03582382
   0.86340603  0.98037129  0.32888757
   0.96832221  0.93877410  0.15471030
   0.72824247  0.84889940  0.19715299
   0.82052313  0.62532802  0.43827560
   0.56051693  0.60395867  0.41097336
   0.64441292  0.60074389  0.57964128
   0.83481742  0.76039629  0.80634480
   0.65966505  0.84131168  0.48086956
   0.98090541  1.01194444  0.80710873
   1.00909654  0.82560098  0.68620866
   0.75139882  0.97694617  0.70095840
   0.76974121  0.68879117  0.97790141
   0.55898022  0.70473500  0.86435721
   0.81486241  0.81110442  0.58770161
   0.94868833  0.92361661  0.31692276
   0.86910291  0.28062179  0.08556061
   0.75177129  1.12013331  0.15120078
   0.41144957  0.06072158  0.67078055
   0.40135332  1.17634081  1.04473272
   0.51008025  1.32046841 -0.01620012
   0.38635607  1.25912327  0.06636481
   0.68966083  0.37277236  0.84619957
   0.56006694  0.74314645  0.62902027
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904254    0.057384   -0.116756
    -0.000000    9.637140    0.255455
    -0.000000    0.000000   13.963798
   Si   O    H 
    32    64    10
Direct configuration=  3364
   0.16202427  0.15428572  0.00534504
   0.36736027  0.11137822  0.38764680
   0.15507764  0.41773339  0.10272923
   0.40087168  0.34708837  0.24872940
   0.09276961  0.15052302  0.49870198
   0.40417468  0.09172675  0.87108753
   0.14381777  0.38047699  0.61993467
   0.38148321  0.38210824  0.75809755
   0.17025115  0.71133353  0.00194383
   0.40309172  0.59081432  0.37362308
   0.13257237  0.94018202  0.15260756
   0.36132064  0.86173385  0.27064998
   0.15342451  0.57567401  0.49735440
   0.38989398  0.67831978  0.83321744
   0.09903140  0.86272792  0.59298204
   0.38401091  0.91109540  0.69232192
   0.66453965  0.14241991  0.98810447
   0.85424486  0.15620034  0.34708913
   0.61068119  0.44851002  0.10105441
   0.86651672  0.36335403  0.18789330
   0.64504034  0.19417636  0.48247530
   0.93153903  0.12412017  0.87809053
   0.63628549  0.44238301  0.61923584
   0.81923644  0.39795280  0.80465347
   0.61282812  0.70326389 -0.02939355
   0.91566931  0.57572386  0.35466874
   0.60033125  0.90217558  0.12961503
   0.87794370  0.85782407  0.23981986
   0.67403607  0.67873080  0.47767147
   0.88815000  0.66662269  0.89563812
   0.70253188  0.91071644  0.59616204
   0.88958674  0.89860569  0.74445786
   0.17239734  0.10078136  0.11906777
   0.37591464  0.18864989  0.28226050
   0.17427718  0.32049054  0.00406974
   0.39102091  0.42941469  0.34340801
   0.54309075  0.36108653  0.18820183
   0.29491190  0.38345333  0.16541892
   0.21997739  0.14129631  0.43295709
  -0.02206245  0.19841533  0.41407017
   0.02534601 -0.00474546  0.53318004
   0.41696324  0.24444027  0.82159810
   0.10325960  0.22616406  0.59836305
   0.37582632  0.50357853  0.83498523
   0.49491313  0.41432933  0.67585823
   0.22539483  0.35629666  0.72495349
   0.25781231  0.07939194 -0.07398898
   0.01212607  0.10303958  0.97797079
   0.16124476  0.57503695  0.06610475
   0.38837794  0.69715560  0.27709865
   0.18877692  0.84225998  0.07162767
   0.39115764  0.93983562  0.37226543
   0.47174703  0.92404002  0.19676165
   0.20466828  0.90452030  0.25166231
   0.29137389  0.64002931  0.44700840
   0.06120748  0.55040752  0.39485180
   0.24441858  0.43061173  0.53095070
   0.35415901  0.74900801  0.72559491
   0.11214849  0.73184386  0.52283052
   0.38937801  0.95233058  0.80811718
   0.53980295  0.86199070  0.64189384
   0.23866090  0.93251460  0.63114378
   0.30411825  0.71915876 -0.06756712
   0.04458471  0.71669452  0.92984835
   0.69052864  0.07735453  0.09683663
   0.83959000  0.20457582  0.23190437
   0.61480612  0.31757760  0.00672705
   0.86031637  0.44744788  0.29297043
   0.03652087  0.38801573  0.18015436
   0.76184975  0.47675170  0.13138666
   0.71784635  0.21265617  0.37870969
   0.48580653  0.18003183  0.45216494
   0.70248476  0.07428567  0.55305549
   0.92907484  0.27293398  0.82832027
   0.65009650  0.34662248  0.53073020
   0.90129872  0.52007241  0.85507049
   1.03273344  0.50504467  0.61445099
   0.76425614  0.40681049  0.69499341
   0.77046773  0.10091272  0.90923193
   0.53741746  0.07561695  0.94153808
   0.53651475  0.58137433  0.03807188
   0.93739549  0.72139410  0.29318490
   0.55998356  0.83787876  0.03706443
   0.86034313  0.98067840  0.33019758
   0.96700482  0.93829026  0.15561515
   0.72776549  0.84947638  0.19611307
   0.81912848  0.62390493  0.43803360
   0.55888494  0.60510421  0.40999859
   0.64311628  0.60101045  0.58070450
   0.83582840  0.76300286  0.80761884
   0.65968431  0.84110266  0.48101429
   0.98191861  1.01259997  0.80695534
   1.00729119  0.82606192  0.68625674
   0.75268804  0.97584886  0.70099824
   0.77053915  0.68693139  0.97741587
   0.56105678  0.70298222  0.86369945
   0.82107275  0.81027683  0.58964982
   0.97473588  0.93801539  0.33053801
   0.86385725  0.28298276  0.08290863
   0.75366408  1.12279501  0.15169959
   0.40704414  0.05647074  0.67011784
   0.40367739  1.19462640  1.04829644
   0.50696231  1.31784090 -0.01886435
   0.38683673  1.25172737  0.06327686
   0.69282251  0.36914236  0.84482086
   0.55967629  0.74610072  0.63082846
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904171    0.060074   -0.118389
    -0.000000    9.636812    0.255130
    -0.000000    0.000000   13.963516
   Si   O    H 
    32    64    10
Direct configuration=  3365
   0.16310227  0.15509692  0.00633097
   0.36755015  0.11125077  0.38817363
   0.15555969  0.41777929  0.10290609
   0.39996441  0.34824188  0.24855515
   0.09212394  0.14871508  0.49882834
   0.40357813  0.09112318  0.87144528
   0.14334595  0.38139883  0.61885481
   0.38129293  0.37991196  0.75761039
   0.16999326  0.71152595  0.00171868
   0.40329529  0.59240720  0.37411355
   0.13192723  0.94057503  0.15356447
   0.36164250  0.86191509  0.27072477
   0.15203705  0.57494532  0.49724376
   0.38951333  0.67813377  0.83300978
   0.09761728  0.86376461  0.59187927
   0.38556930  0.91203110  0.69132969
   0.66466365  0.14187935  0.98759227
   0.85438030  0.15694013  0.34690233
   0.60870477  0.45040588  0.10076710
   0.86779336  0.36492029  0.18721975
   0.64463599  0.19480292  0.48351085
   0.93201271  0.12483430  0.87813863
   0.63647265  0.44207212  0.61897728
   0.81907630  0.39734702  0.80451363
   0.61333964  0.70225727 -0.02908242
   0.91413941  0.57500876  0.35548534
   0.59929560  0.90252886  0.12966071
   0.87755412  0.85613712  0.23919537
   0.67398838  0.67808691  0.47819220
   0.89068232  0.66644102  0.89469279
   0.70221147  0.91031149  0.59696455
   0.89036954  0.89772331  0.74353132
   0.17378576  0.10207904  0.11903236
   0.37405047  0.19028665  0.28188738
   0.17358876  0.32025354  0.00437371
   0.39073012  0.42977074  0.34284571
   0.54274692  0.36162032  0.18834085
   0.29336261  0.38368224  0.16589408
   0.22153703  0.13898619  0.43288911
  -0.02152150  0.19885948  0.41440812
   0.02571336 -0.00337303  0.53435142
   0.41742780  0.24314566  0.82231467
   0.10256423  0.22455579  0.60031505
   0.37603936  0.50390752  0.83522059
   0.49688130  0.41422831  0.67564343
   0.22356993  0.35624939  0.72456688
   0.26058167  0.07975628 -0.07330014
   0.01299560  0.10299858  0.97711507
   0.16057374  0.57668486  0.06571083
   0.38874841  0.69724808  0.27652757
   0.18950275  0.84468334  0.07208012
   0.39011250  0.94016750  0.37107859
   0.47175655  0.92217181  0.19481172
   0.20295269  0.90320804  0.25116055
   0.29041961  0.64013041  0.44727924
   0.06151896  0.55235667  0.39376091
   0.24503387  0.43115711  0.52922342
   0.35519008  0.74748179  0.72625485
   0.11255589  0.73189167  0.52225920
   0.38989101  0.95231987  0.80881237
   0.54039968  0.86024703  0.64170288
   0.23842060  0.93175370  0.63084984
   0.30384404  0.71950029 -0.06764077
   0.04363914  0.71411285  0.93164746
   0.69097575  0.07650163  0.09742027
   0.83906438  0.20227391  0.23208998
   0.61454113  0.31787016  0.00755368
   0.86246991  0.44624593  0.29331453
   0.03497931  0.38916930  0.17908294
   0.75930990  0.47774435  0.13190541
   0.71763781  0.21299222  0.37918018
   0.48831003  0.17877926  0.45184321
   0.70016369  0.07338850  0.55465822
   0.92951511  0.27301310  0.82822124
   0.65078986  0.34606403  0.52930142
   0.90236236  0.52081039  0.85430063
   1.03340405  0.50510151  0.61299769
   0.76480776  0.40721781  0.69369776
   0.76942882  0.10005922  0.91036095
   0.53851854  0.07459821  0.94153584
   0.53646332  0.58146296  0.03724480
   0.93757308  0.72280063  0.29205692
   0.55981856  0.83778586  0.03746739
   0.85781242  0.98088419  0.33099100
   0.96683629  0.93725778  0.15674802
   0.72658541  0.85011167  0.19562100
   0.81744897  0.62368511  0.43734655
   0.55733846  0.60618226  0.40923881
   0.64207732  0.60232919  0.58179866
   0.83661608  0.76576710  0.80887307
   0.65994992  0.84095772  0.48114363
   0.98214426  1.01204115  0.80592470
   1.00595215  0.82589946  0.68581659
   0.75431484  0.97524412  0.70110124
   0.77123256  0.68472657  0.97667746
   0.56293284  0.70202630  0.86336691
   0.82210190  0.80948105  0.59126971
   0.99110311  0.95956812  0.34699619
   0.85864409  0.28548645  0.08072946
   0.75458611  1.12815339  0.14990015
   0.41000137  0.05615646  0.66667577
   0.41053414  1.19188475  1.04703693
   0.50983225  1.31750917 -0.02023147
   0.38169151  1.26320384  0.06516277
   0.69120402  0.36475688  0.84701978
   0.55530836  0.76018298  0.63226640
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904218    0.062973   -0.120484
    -0.000000    9.636555    0.255526
    -0.000000    0.000000   13.963416
   Si   O    H 
    32    64    10
Direct configuration=  3366
   0.16451234  0.15563004  0.00725128
   0.36724885  0.11125631  0.38843764
   0.15670436  0.41756316  0.10308768
   0.39901481  0.34923714  0.24870435
   0.09097245  0.14682294  0.49876229
   0.40345769  0.09114320  0.87213151
   0.14283190  0.38294449  0.61768692
   0.38050829  0.37765233  0.75725976
   0.16987859  0.71208129  0.00132198
   0.40370638  0.59369657  0.37430695
   0.13164222  0.94131139  0.15427256
   0.36175165  0.86199429  0.27103369
   0.15119928  0.57452960  0.49665374
   0.38884478  0.67838367  0.83268082
   0.09627441  0.86526646  0.58992219
   0.38665550  0.91240563  0.69082272
   0.66461911  0.14175866  0.98691940
   0.85413370  0.15758067  0.34636643
   0.60676208  0.45278763  0.10023652
   0.86882235  0.36611036  0.18677830
   0.64346539  0.19543806  0.48436898
   0.93322560  0.12494610  0.87836146
   0.63639766  0.44229779  0.61938085
   0.81993694  0.39620176  0.80431116
   0.61342998  0.70162955 -0.02864957
   0.91290839  0.57413403  0.35592039
   0.59810933  0.90369986  0.13021022
   0.87694163  0.85443347  0.23861118
   0.67410924  0.67715308  0.47861137
   0.89309797  0.66655210  0.89447059
   0.70191146  0.91052949  0.59745543
   0.89157429  0.89621655  0.74280732
   0.17459053  0.10243083  0.11879642
   0.37219464  0.19136467  0.28176749
   0.17258221  0.32145779  0.00417653
   0.39065744  0.43033441  0.34157614
   0.54168188  0.36289870  0.18872213
   0.29237818  0.38415876  0.16685279
   0.22279494  0.13667847  0.43358662
  -0.02083789  0.19932396  0.41510745
   0.02601855 -0.00258096  0.53482726
   0.41877650  0.24207144  0.82281640
   0.10147248  0.22203201  0.60195673
   0.37672184  0.50491581  0.83561910
   0.49823111  0.41470184  0.67585405
   0.22243330  0.35674368  0.72383614
   0.26253945  0.08055074 -0.07276645
   0.01390361  0.10329441  0.97632559
   0.16056956  0.57882059  0.06578868
   0.38789652  0.69794497  0.27560227
   0.19061885  0.84741639  0.07265096
   0.38965087  0.94084951  0.37028149
   0.47200036  0.92100819  0.19266538
   0.20155024  0.90208283  0.25151969
   0.28971182  0.64015944  0.44716525
   0.06194727  0.55381495  0.39301785
   0.24533546  0.43147653  0.52793640
   0.35590401  0.74632464  0.72698057
   0.11341677  0.73270034  0.52220562
   0.38944966  0.95190342  0.81003156
   0.54146391  0.85877074  0.64128893
   0.23800313  0.93087735  0.62961099
   0.30392434  0.72004740 -0.06784826
   0.04192256  0.71212732  0.93328924
   0.69105298  0.07564433  0.09835870
   0.83848350  0.19957710  0.23260881
   0.61378266  0.31784419  0.00894491
   0.86425091  0.44529890  0.29345467
   0.03348443  0.39043782  0.17806309
   0.75656322  0.48000112  0.13172218
   0.71693994  0.21328204  0.37967329
   0.48967369  0.17729785  0.45159065
   0.69848549  0.07291957  0.55583440
   0.93014381  0.27357871  0.82762192
   0.65135959  0.34557445  0.52816831
   0.90320150  0.52146390  0.85299998
   1.03427741  0.50538555  0.61171144
   0.76516735  0.40728956  0.69287719
   0.76831827  0.09916630  0.91142565
   0.53887219  0.07381196  0.94198037
   0.53639698  0.58161992  0.03743322
   0.93784630  0.72420274  0.29101079
   0.56015480  0.83782429  0.03760426
   0.85590923  0.98103585  0.33185900
   0.96601412  0.93634607  0.15747126
   0.72508424  0.85045710  0.19486045
   0.81618461  0.62357141  0.43691283
   0.55560490  0.60748561  0.40914839
   0.64131468  0.60341201  0.58288484
   0.83717705  0.76785522  0.81020334
   0.66025969  0.84020510  0.48107586
   0.98265946  1.01174702  0.80515255
   1.00597082  0.82558052  0.68515414
   0.75591705  0.97565709  0.70078314
   0.77251301  0.68218495  0.97646540
   0.56404201  0.70207932  0.86280208
   0.82245725  0.80820137  0.59346112
   1.00519326  0.98340287  0.36257097
   0.85280505  0.29193801  0.07989188
   0.75645757  1.13331603  0.14706104
   0.41729847  0.05947690  0.66263882
   0.41436105  1.18346777  1.04667187
   0.51797176  1.31532351 -0.01812946
   0.37566945  1.27826275  0.06933607
   0.68603500  0.36047536  0.85088256
   0.54609875  0.77235121  0.63455189
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904109    0.065621   -0.123295
    -0.000000    9.636371    0.256529
    -0.000000    0.000000   13.963336
   Si   O    H 
    32    64    10
Direct configuration=  3367
   0.16587709  0.15631561  0.00794510
   0.36643532  0.11118741  0.38874132
   0.15711556  0.41741140  0.10352463
   0.39824350  0.34948956  0.24870476
   0.08923838  0.14525036  0.49885034
   0.40342738  0.09102478  0.87321879
   0.14275178  0.38482130  0.61626593
   0.37956018  0.37590002  0.75713964
   0.17007334  0.71244397  0.00072030
   0.40335055  0.59513894  0.37473143
   0.13138914  0.94280575  0.15451505
   0.36231731  0.86208106  0.27120861
   0.15020864  0.57370548  0.49606934
   0.38800445  0.67850299  0.83226132
   0.09483929  0.86616884  0.58850321
   0.38759276  0.91313366  0.69016558
   0.66474238  0.14230344  0.98638911
   0.85458695  0.15756142  0.34566074
   0.60511968  0.45490506  0.09940134
   0.86960244  0.36678688  0.18638755
   0.64231124  0.19497600  0.48542515
   0.93395974  0.12535973  0.87860672
   0.63606034  0.44231485  0.61985083
   0.82080263  0.39541924  0.80395552
   0.61307876  0.70151329 -0.02801002
   0.91223733  0.57355970  0.35600842
   0.59741241  0.90570879  0.13123600
   0.87601701  0.85312438  0.23769772
   0.67391670  0.67584838  0.47911912
   0.89580168  0.66703449  0.89459478
   0.70164620  0.91122146  0.59771274
   0.89233715  0.89516266  0.74309270
   0.17471031  0.10235230  0.11905381
   0.37101143  0.19192770  0.28190451
   0.17126644  0.32347444  0.00413266
   0.39149237  0.43182671  0.34116913
   0.54091465  0.36395181  0.18924389
   0.29131445  0.38537570  0.16695010
   0.22321944  0.13506028  0.43390657
  -0.01979085  0.19996256  0.41583421
   0.02700669 -0.00278914  0.53580415
   0.41838206  0.24083891  0.82367877
   0.09951934  0.22006834  0.60286875
   0.37760676  0.50538051  0.83551998
   0.49857027  0.41460959  0.67577463
   0.22065900  0.35635279  0.72331024
   0.26410318  0.08083713 -0.07246863
   0.01582264  0.10403522  0.97514873
   0.16141583  0.57968090  0.06651798
   0.38648047  0.69822432  0.27436477
   0.19140677  0.84917228  0.07248846
   0.38917545  0.94163814  0.36966831
   0.47188289  0.92034484  0.19039611
   0.20006088  0.90112680  0.25180732
   0.28953276  0.63932145  0.44715928
   0.06312766  0.55480636  0.39309779
   0.24496495  0.43185286  0.52722971
   0.35661463  0.74419465  0.72797098
   0.11386846  0.73432380  0.52221490
   0.38881346  0.95138989  0.81173821
   0.54274829  0.85908627  0.64081095
   0.23816757  0.93004205  0.62784626
   0.30305734  0.72064064 -0.06758776
   0.03925433  0.71116460  0.93435420
   0.69118110  0.07483475  0.09875128
   0.83928887  0.19737235  0.23294776
   0.61307727  0.31773529  0.01013219
   0.86506043  0.44442235  0.29386227
   0.03254375  0.39227647  0.17647055
   0.75466984  0.48167479  0.13179658
   0.71549719  0.21319494  0.38065625
   0.49065121  0.17525490  0.45145171
   0.69756313  0.07333928  0.55598558
   0.93144877  0.27401887  0.82636675
   0.65148262  0.34476369  0.52733482
   0.90456049  0.52150240  0.85126597
   1.03502726  0.50534161  0.60979576
   0.76550231  0.40770703  0.69201333
   0.76713202  0.09758929  0.91185079
   0.53868295  0.07256357  0.94215983
   0.53655324  0.58093620  0.03813492
   0.93779909  0.72406160  0.29063761
   0.56054368  0.83741747  0.03732906
   0.85506973  0.98110578  0.33230348
   0.96480933  0.93507246  0.15798662
   0.72279509  0.84945171  0.19395992
   0.81455230  0.62441446  0.43629062
   0.55450532  0.60961575  0.40918478
   0.64107152  0.60458415  0.58331605
   0.83809238  0.76937517  0.81109240
   0.66151709  0.83972201  0.48067662
   0.98243353  1.01109334  0.80472629
   1.00611128  0.82483835  0.68432652
   0.75795636  0.97519120  0.70054882
   0.77470436  0.67935081  0.97640313
   0.56383647  0.70264706  0.86185176
   0.81822306  0.80699994  0.59733115
   1.00970360  0.99941419  0.37596970
   0.85266357  0.29887867  0.08032931
   0.75496514  1.13472432  0.14539756
   0.42527935  0.05901107  0.65728331
   0.41120854  1.19587521  1.05243833
   0.52526442  1.31756292 -0.01540368
   0.37997140  1.26930853  0.06900898
   0.68867683  0.35542234  0.85321308
   0.53488657  0.74211242  0.63368927
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903726    0.068041   -0.125322
    -0.000000    9.636077    0.257831
    -0.000000    0.000000   13.963311
   Si   O    H 
    32    64    10
Direct configuration=  3368
   0.16712616  0.15664224  0.00832928
   0.36605111  0.11120303  0.38884266
   0.15772214  0.41726731  0.10398216
   0.39731182  0.34946628  0.24862283
   0.08726109  0.14366741  0.49883945
   0.40339574  0.09094594  0.87428483
   0.14264532  0.38561142  0.61567794
   0.37839330  0.37490842  0.75722175
   0.17001706  0.71331956  0.00016807
   0.40242332  0.59585212  0.37552948
   0.13094954  0.94449972  0.15436260
   0.36242742  0.86173335  0.27152782
   0.14949715  0.57280313  0.49579290
   0.38727371  0.67828049  0.83222811
   0.09402775  0.86674552  0.58713651
   0.38773450  0.91388549  0.68960107
   0.66484831  0.14347814  0.98579058
   0.85554148  0.15710334  0.34467985
   0.60400075  0.45641441  0.09870078
   0.87012005  0.36719825  0.18595713
   0.64151560  0.19467966  0.48604527
   0.93457818  0.12649978  0.87909269
   0.63648724  0.44229744  0.62011995
   0.82170713  0.39452774  0.80343619
   0.61234881  0.70190340 -0.02711713
   0.91162223  0.57350278  0.35577712
   0.59735878  0.90752117  0.13223504
   0.87534288  0.85205382  0.23698192
   0.67301940  0.67474526  0.47933750
   0.89770524  0.66816090  0.89515220
   0.70112828  0.91170106  0.59770937
   0.89384177  0.89498524  0.74397072
   0.17482702  0.10157383  0.11948563
   0.37097969  0.19248649  0.28209623
   0.17005331  0.32618927  0.00431984
   0.39148663  0.43409744  0.34069542
   0.54093137  0.36462154  0.18943605
   0.29009824  0.38764930  0.16704981
   0.22290685  0.13365477  0.43385695
  -0.01848971  0.20023693  0.41582324
   0.02798358 -0.00263877  0.53612241
   0.41855876  0.23957235  0.82427486
   0.09720861  0.21756969  0.60397390
   0.37864378  0.50617496  0.83501186
   0.49861649  0.41431315  0.67594685
   0.21963814  0.35674182  0.72244492
   0.26560455  0.08179257 -0.07191941
   0.01761783  0.10461815  0.97463452
   0.16231881  0.57971276  0.06706669
   0.38520086  0.69877754  0.27326216
   0.19261078  0.85008938  0.07203963
   0.38730275  0.94304864  0.36871494
   0.47074039  0.91964827  0.18866248
   0.19881450  0.90032648  0.25254942
   0.28956399  0.63803979  0.44756082
   0.06445301  0.55520942  0.39378398
   0.24474679  0.43182413  0.52655011
   0.35685447  0.74175565  0.72874568
   0.11393177  0.73636705  0.52253631
   0.38881626  0.95009174  0.81285146
   0.54353111  0.85846923  0.64058336
   0.23924476  0.92920325  0.62636805
   0.30321448  0.72180908 -0.06711940
   0.03674539  0.71179164  0.93583804
   0.69026047  0.07425695  0.10001614
   0.83981364  0.19542006  0.23286758
   0.61277819  0.31708539  0.01144924
   0.86608025  0.44313840  0.29362448
   0.03180803  0.39321482  0.17506386
   0.75321524  0.48418251  0.13184375
   0.71502017  0.21256807  0.38252618
   0.49068651  0.17251827  0.45116432
   0.69683832  0.07430760  0.55625673
   0.93247970  0.27450688  0.82621951
   0.65239170  0.34493607  0.52720645
   0.90472197  0.52095046  0.84982370
   1.03619880  0.50516037  0.60763938
   0.76592524  0.40801078  0.69089817
   0.76745016  0.09628370  0.91162403
   0.53784941  0.07215747  0.94169460
   0.53689605  0.57941755  0.03913369
   0.93725837  0.72284053  0.29006637
   0.56189480  0.83691217  0.03679671
   0.85503554  0.98057873  0.33295662
   0.96358884  0.93461846  0.15891572
   0.72033978  0.84865001  0.19306071
   0.81267393  0.62578483  0.43585640
   0.55345058  0.61171289  0.40926303
   0.64053336  0.60529540  0.58432838
   0.83953127  0.77090291  0.81229727
   0.66303865  0.83980463  0.48083411
   0.98189573  1.01110443  0.80437748
   1.00580845  0.82406841  0.68305421
   0.76080935  0.97476835  0.70026918
   0.77653504  0.67682169  0.97604729
   0.56350431  0.70307722  0.86064036
   0.81080681  0.80457081  0.60048293
   1.00704137  1.01253310  0.38707645
   0.85494111  0.30071887  0.08186264
   0.75152073  1.13403052  0.14204271
   0.43578848  0.05927357  0.65517572
   0.40684065  1.20834755  1.05944848
   0.52420916  1.32033666 -0.01674324
   0.38800593  1.25739686  0.06932965
   0.69438547  0.35237898  0.85612741
   0.52318297  0.72753777  0.63290086
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903001    0.070821   -0.127143
    -0.000000    9.635849    0.258794
    -0.000000    0.000000   13.962670
   Si   O    H 
    32    64    10
Direct configuration=  3369
   0.16811390  0.15747643  0.00834117
   0.36588454  0.11059020  0.38896347
   0.15790749  0.41616410  0.10431511
   0.39639398  0.34921335  0.24862020
   0.08568511  0.14228092  0.49901367
   0.40297068  0.09038472  0.87481718
   0.14294199  0.38638060  0.61522915
   0.37747084  0.37474185  0.75724668
   0.17081443  0.71415250 -0.00027455
   0.40198938  0.59613538  0.37614982
   0.12948419  0.94669709  0.15408055
   0.36209956  0.86133091  0.27179384
   0.14909366  0.57256855  0.49539150
   0.38698868  0.67844969  0.83253942
   0.09305643  0.86706806  0.58674347
   0.38774161  0.91491865  0.68916238
   0.66491646  0.14500516  0.98548915
   0.85623388  0.15686105  0.34405446
   0.60337821  0.45763722  0.09824931
   0.87054528  0.36775114  0.18514082
   0.64081698  0.19398305  0.48612121
   0.93545531  0.12760542  0.87977501
   0.63734596  0.44187794  0.62024878
   0.82212041  0.39384700  0.80283246
   0.61168377  0.70276624 -0.02647909
   0.91150422  0.57400125  0.35560412
   0.59742294  0.90965989  0.13341464
   0.87443139  0.85160910  0.23653881
   0.67205174  0.67351941  0.47890941
   0.89870839  0.66952858  0.89567094
   0.70070730  0.91211936  0.59754571
   0.89493268  0.89464799  0.74476255
   0.17525421  0.10047385  0.11998679
   0.37034814  0.19249382  0.28288521
   0.16914764  0.32821355  0.00507613
   0.39087729  0.43636836  0.34066440
   0.54135982  0.36566781  0.18953945
   0.28990672  0.39021565  0.16769399
   0.22256606  0.13202017  0.43457523
  -0.01774012  0.20126050  0.41580145
   0.02833340 -0.00298731  0.53598192
   0.41858522  0.23874427  0.82502400
   0.09458440  0.21490397  0.60483578
   0.37912842  0.50615368  0.83500645
   0.49824845  0.41433570  0.67596742
   0.21997397  0.35709002  0.72226890
   0.26579888  0.08296604 -0.07079763
   0.01878553  0.10598573  0.97503120
   0.16295369  0.57960987  0.06811463
   0.38370594  0.69910678  0.27264296
   0.19342772  0.85027509  0.07145434
   0.38550473  0.94558688  0.36774278
   0.46900569  0.92001029  0.18723010
   0.19786167  0.89977456  0.25340377
   0.28995318  0.63786627  0.44797674
   0.06528066  0.55537020  0.39477847
   0.24429943  0.43175212  0.52621823
   0.35662405  0.74021128  0.72971037
   0.11383382  0.73773633  0.52317796
   0.38928439  0.94840766  0.81379022
   0.54393626  0.85739299  0.64065848
   0.24084294  0.92806497  0.62503130
   0.30384116  0.72292190 -0.06728131
   0.03518706  0.71250391  0.93687166
   0.68943051  0.07364199  0.10164413
   0.84120700  0.19371093  0.23199746
   0.61306168  0.31612710  0.01274195
   0.86696343  0.44161400  0.29314501
   0.03233366  0.39364776  0.17379392
   0.75153745  0.48674720  0.13182120
   0.71439472  0.21091370  0.38401784
   0.49051990  0.16941000  0.45147801
   0.69717874  0.07487465  0.55642524
   0.93448988  0.27520657  0.82622367
   0.65302108  0.34579466  0.52750735
   0.90478575  0.52021455  0.84846533
   1.03689786  0.50570730  0.60451369
   0.76623959  0.40852640  0.68985888
   0.76863102  0.09509889  0.91125701
   0.53665170  0.07214613  0.94195041
   0.53659249  0.57797782  0.03985493
   0.93669813  0.72155052  0.28916921
   0.56347525  0.83626161  0.03617503
   0.85514554  0.97994184  0.33343838
   0.96223872  0.93467836  0.15936249
   0.71815305  0.84767119  0.19253935
   0.81102577  0.62783031  0.43509531
   0.55364734  0.61372099  0.40929392
   0.64029217  0.60532161  0.58579926
   0.84053308  0.77252186  0.81313785
   0.66380684  0.83947803  0.48028272
   0.98150907  1.01058877  0.80391176
   1.00586602  0.82361931  0.68150873
   0.76359537  0.97526708  0.69998622
   0.77718013  0.67514223  0.97491742
   0.56291835  0.70350880  0.85959485
   0.80426675  0.80076219  0.60526987
   0.99874327  1.02497882  0.39297935
   0.85795107  0.30110184  0.08521127
   0.74806147  1.12891295  0.14261228
   0.44223122  0.05839096  0.65414807
   0.40731134  1.19395880  1.06196147
   0.51952761  1.32462737 -0.02267169
   0.38695315  1.26729197  0.07619264
   0.69904839  0.35186680  0.85674842
   0.51981815  0.73276070  0.63344808
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902750    0.073798   -0.129113
    -0.000000    9.635664    0.259727
    -0.000000    0.000000   13.962046
   Si   O    H 
    32    64    10
Direct configuration=  3370
   0.16872406  0.15857602  0.00825619
   0.36577298  0.10990047  0.38890429
   0.15761704  0.41525080  0.10437390
   0.39596927  0.34931303  0.24911861
   0.08439315  0.14151390  0.49991861
   0.40281888  0.09014988  0.87535996
   0.14353919  0.38723142  0.61471352
   0.37684131  0.37471417  0.75734643
   0.17176565  0.71484754 -0.00089850
   0.40124715  0.59615267  0.37691361
   0.12753885  0.94831467  0.15352376
   0.36195626  0.86146713  0.27193944
   0.14837611  0.57295787  0.49490923
   0.38709459  0.67840946  0.83313060
   0.09256645  0.86738725  0.58719093
   0.38767070  0.91559967  0.68888878
   0.66488696  0.14638020  0.98522317
   0.85670956  0.15665949  0.34369159
   0.60364014  0.45808132  0.09822818
   0.87052923  0.36891926  0.18395694
   0.64073394  0.19350598  0.48619642
   0.93547969  0.12835961  0.88051052
   0.63822532  0.44232037  0.62019956
   0.82251218  0.39281345  0.80226084
   0.61022509  0.70395342 -0.02594503
   0.91204346  0.57450021  0.35560295
   0.59817085  0.91178977  0.13415657
   0.87307336  0.85135956  0.23636806
   0.67064903  0.67270596  0.47835264
   0.89943129  0.67075755  0.89638519
   0.70034953  0.91189058  0.59780090
   0.89599796  0.89395218  0.74576839
   0.17615236  0.09935269  0.11994271
   0.37007825  0.19177555  0.28331908
   0.16904685  0.32982269  0.00571004
   0.38990776  0.43839968  0.34094478
   0.54129678  0.36745682  0.18974417
   0.28939728  0.39255416  0.16812909
   0.22160464  0.13121538  0.43564132
  -0.01711795  0.20137666  0.41588564
   0.02895416 -0.00303230  0.53588102
   0.41856270  0.23785278  0.82504198
   0.09231013  0.21315008  0.60527116
   0.37932269  0.50585127  0.83458971
   0.49729882  0.41387868  0.67570233
   0.22057847  0.35730198  0.72212443
   0.26552215  0.08430742 -0.07002467
   0.01991363  0.10729853  0.97569979
   0.16353405  0.58053411  0.06916995
   0.38280344  0.69888343  0.27264025
   0.19389559  0.85080545  0.07084463
   0.38390672  0.94819817  0.36719181
   0.46542459  0.92129589  0.18634257
   0.19688724  0.89940712  0.25343528
   0.29049661  0.63830780  0.44873814
   0.06596639  0.55439478  0.39591465
   0.24487141  0.43192492  0.52606811
   0.35619411  0.73864398  0.72989081
   0.11400690  0.73924347  0.52331868
   0.38921827  0.94693676  0.81379437
   0.54395690  0.85563206  0.64058086
   0.24215320  0.92802055  0.62377231
   0.30405127  0.72407979 -0.06741490
   0.03456837  0.71391369  0.93818891
   0.68763784  0.07316763  0.10299978
   0.84313210  0.19216603  0.23108692
   0.61328688  0.31538008  0.01358690
   0.86738622  0.44004330  0.29307094
   0.03301514  0.39432012  0.17248527
   0.74987057  0.48880430  0.13139844
   0.71352315  0.20946818  0.38537063
   0.48994130  0.16660627  0.45207508
   0.69755533  0.07611615  0.55658963
   0.93637789  0.27545585  0.82672811
   0.65250159  0.34620554  0.52748898
   0.90482385  0.52000727  0.84729584
   1.03747791  0.50573826  0.60156546
   0.76657670  0.40886360  0.68890416
   0.77019786  0.09386670  0.91115980
   0.53596977  0.07279784  0.94281306
   0.53593632  0.57713941  0.04014386
   0.93530285  0.72030872  0.28839916
   0.56464361  0.83603970  0.03470741
   0.85618447  0.97926841  0.33359385
   0.96099667  0.93459127  0.15970176
   0.71594793  0.84667167  0.19226308
   0.80995992  0.62958785  0.43444030
   0.55376458  0.61617842  0.41002987
   0.63986105  0.60542221  0.58788580
   0.84208699  0.77342913  0.81384765
   0.66454261  0.83956180  0.47950806
   0.98185872  1.00981602  0.80368255
   1.00622826  0.82320616  0.67962084
   0.76651753  0.97695771  0.69975583
   0.77748013  0.67342627  0.97424883
   0.56115235  0.70381610  0.85893260
   0.79928829  0.79463754  0.60810058
   0.98877179  1.03319163  0.39339763
   0.86041553  0.30065069  0.08840078
   0.74733264  1.12790164  0.14851463
   0.44746802  0.05739136  0.65462465
   0.40877833  1.17661423  1.06421803
   0.52331568  1.32748560 -0.02597505
   0.38603674  1.27676042  0.08157586
   0.70118243  0.35187665  0.85651492
   0.52374015  0.75208478  0.63441832
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902381    0.077341   -0.130874
    -0.000000    9.635072    0.260488
    -0.000000    0.000000   13.961384
   Si   O    H 
    32    64    10
Direct configuration=  3371
   0.16919438  0.15923081  0.00778721
   0.36543884  0.10930328  0.38903900
   0.15723056  0.41454069  0.10460209
   0.39631725  0.34970087  0.24919231
   0.08383122  0.14090791  0.50088868
   0.40281722  0.08975886  0.87547037
   0.14440623  0.38768623  0.61439443
   0.37656929  0.37486504  0.75736079
   0.17280925  0.71553877 -0.00072138
   0.40057213  0.59595066  0.37711509
   0.12616934  0.94994538  0.15303143
   0.36192816  0.86176168  0.27214804
   0.14702955  0.57365936  0.49431154
   0.38723226  0.67820035  0.83380303
   0.09221033  0.86739758  0.58785403
   0.38763303  0.91658013  0.68843295
   0.66470396  0.14742023  0.98489438
   0.85696530  0.15614790  0.34367354
   0.60389319  0.45769135  0.09843334
   0.87021235  0.36954131  0.18287119
   0.64113511  0.19364493  0.48673675
   0.93426680  0.12915202  0.88097387
   0.63909684  0.44322679  0.62064004
   0.82329878  0.39188751  0.80158624
   0.60862679  0.70473355 -0.02601557
   0.91290663  0.57439878  0.35542633
   0.59927811  0.91398104  0.13470939
   0.87229699  0.85055703  0.23657042
   0.66886035  0.67202698  0.47769710
   0.89920961  0.67130573  0.89639364
   0.69974974  0.91233101  0.59791088
   0.89672983  0.89346264  0.74685629
   0.17713659  0.09864562  0.11958886
   0.36970967  0.19119612  0.28304981
   0.16891737  0.33028137  0.00615208
   0.38887256  0.44047594  0.34128904
   0.54191696  0.36999582  0.18962625
   0.28897178  0.39409987  0.16789703
   0.22001314  0.13098593  0.43722512
  -0.01705108  0.20081731  0.41550363
   0.02888570 -0.00329393  0.53560563
   0.41844319  0.23750528  0.82477459
   0.08992061  0.21225919  0.60510104
   0.37953095  0.50532004  0.83440496
   0.49486043  0.41313086  0.67578845
   0.22131103  0.35831953  0.72137116
   0.26500875  0.08590983 -0.06895677
   0.02093484  0.10847268  0.97588852
   0.16485180  0.58082760  0.07004342
   0.38176004  0.69869534  0.27331659
   0.19473642  0.85185336  0.06986016
   0.38284553  0.95061754  0.36691556
   0.46117708  0.92290560  0.18572557
   0.19676011  0.89881737  0.25384798
   0.29215048  0.63909045  0.44946815
   0.06631030  0.55306379  0.39733142
   0.24506749  0.43190350  0.52605767
   0.35589540  0.73762880  0.72972718
   0.11390754  0.74025858  0.52352058
   0.38952830  0.94579667  0.81405901
   0.54365807  0.85390296  0.64027678
   0.24383769  0.92831911  0.62285578
   0.30405196  0.72580912 -0.06768573
   0.03488979  0.71593993  0.93962331
   0.68565719  0.07312175  0.10374859
   0.84480743  0.19115360  0.23095087
   0.61351667  0.31524982  0.01416797
   0.86766626  0.43862975  0.29288748
   0.03329575  0.39543987  0.17146268
   0.74880362  0.49124111  0.13190590
   0.71414524  0.20760190  0.38606313
   0.48924510  0.16486011  0.45244567
   0.69746529  0.07648757  0.55656268
   0.93853921  0.27524750  0.82738701
   0.65153075  0.34648666  0.52760848
   0.90439591  0.52032465  0.84627986
   1.03759604  0.50664541  0.59863921
   0.76746852  0.40931089  0.68813217
   0.77225002  0.09314507  0.91174216
   0.53459543  0.07456342  0.94360292
   0.53466515  0.57621178  0.04014584
   0.93353597  0.71846037  0.28758337
   0.56669305  0.83656917  0.03354668
   0.85809201  0.97861495  0.33403638
   0.95986647  0.93445036  0.15979308
   0.71510231  0.84537481  0.19195195
   0.80916267  0.63089622  0.43396020
   0.55377586  0.61742947  0.41085030
   0.64007928  0.60521557  0.58986604
   0.84373846  0.77565366  0.81435822
   0.66495364  0.84040814  0.47943037
   0.98261703  1.00993721  0.80377275
   1.00677356  0.82258243  0.67720348
   0.76909275  0.97849747  0.69985691
   0.77839391  0.67176696  0.97421328
   0.55998196  0.70385530  0.85852579
   0.79377629  0.78856519  0.60901059
   0.98070786  1.03520700  0.39369253
   0.85886243  0.29866678  0.08906062
   0.74940236  1.12869482  0.15515706
   0.44779600  0.05604916  0.65580635
   0.40463811  1.18316203  1.06931343
   0.53474863  1.33016344 -0.02435123
   0.39044886  1.25836476  0.08144880
   0.70262310  0.35189509  0.85607916
   0.52913448  0.77488481  0.63478253
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902389    0.080411   -0.132994
    -0.000000    9.634599    0.260841
    -0.000000    0.000000   13.960642
   Si   O    H 
    32    64    10
Direct configuration=  3372
   0.16981848  0.16014247  0.00747034
   0.36555413  0.10893989  0.38928415
   0.15731768  0.41409041  0.10460891
   0.39689724  0.35047467  0.24932477
   0.08374524  0.14124026  0.50181422
   0.40324860  0.08887613  0.87513852
   0.14573245  0.38768218  0.61404853
   0.37623115  0.37540565  0.75748672
   0.17350606  0.71580481 -0.00037783
   0.40009553  0.59563800  0.37710462
   0.12506308  0.95133958  0.15283403
   0.36181847  0.86255913  0.27258667
   0.14548152  0.57416193  0.49361282
   0.38737512  0.67790074  0.83512858
   0.09260814  0.86728203  0.58879261
   0.38751494  0.91722084  0.68813485
   0.66457028  0.14773908  0.98455068
   0.85753940  0.15605503  0.34344928
   0.60411554  0.45652454  0.09857879
   0.87005650  0.36991826  0.18146457
   0.64153740  0.19388355  0.48743595
   0.93333950  0.13034957  0.88122159
   0.63996714  0.44437719  0.62134493
   0.82357561  0.39103438  0.80086055
   0.60708173  0.70549382 -0.02656109
   0.91409474  0.57395122  0.35522694
   0.60042663  0.91562514  0.13501357
   0.87167922  0.84938372  0.23696746
   0.66744830  0.67193102  0.47726131
   0.89864944  0.67164818  0.89635942
   0.69920375  0.91274881  0.59780871
   0.89773862  0.89344782  0.74746591
   0.17829085  0.09872134  0.11847569
   0.37050326  0.19067765  0.28299045
   0.16866802  0.33054840  0.00585183
   0.38846062  0.44195376  0.34269425
   0.54214680  0.37307405  0.19003934
   0.28948740  0.39544959  0.16767486
   0.21804718  0.13071650  0.43910280
  -0.01738348  0.20081776  0.41493674
   0.02815167 -0.00344372  0.53471150
   0.41825984  0.23882681  0.82435750
   0.08799081  0.21209632  0.60487872
   0.38005357  0.50371308  0.83400053
   0.49256318  0.41251193  0.67586882
   0.22229207  0.35936444  0.72022034
   0.26463430  0.08751862 -0.06755872
   0.02145626  0.11023225  0.97682018
   0.16643548  0.58003496  0.07083826
   0.38115839  0.69776001  0.27458643
   0.19575500  0.85308266  0.06855131
   0.38248743  0.95206426  0.36677011
   0.45642993  0.92408184  0.18523030
   0.19701295  0.89782436  0.25403950
   0.29343953  0.63938545  0.45012240
   0.06591867  0.55167110  0.39818379
   0.24583268  0.43136906  0.52591210
   0.35587420  0.73695649  0.72906080
   0.11347258  0.74086062  0.52364538
   0.38936005  0.94503537  0.81430771
   0.54310629  0.85612859  0.64029854
   0.24632209  0.92844764  0.62164914
   0.30430174  0.72721295 -0.06775233
   0.03496957  0.71768708  0.94101850
   0.68315873  0.07308241  0.10463097
   0.84659098  0.19048071  0.23036405
   0.61396025  0.31605433  0.01467736
   0.86772170  0.43779416  0.29329200
   0.03324204  0.39640255  0.17086166
   0.74827786  0.49366960  0.13268795
   0.71508539  0.20596403  0.38688727
   0.48809604  0.16352079  0.45259453
   0.69752232  0.07660596  0.55683677
   0.94106316  0.27509663  0.82769532
   0.65008519  0.34739062  0.52775584
   0.90441146  0.52097446  0.84556469
   1.03781535  0.50829787  0.59585169
   0.76858545  0.40910081  0.68782014
   0.77484417  0.09237857  0.91256621
   0.53302398  0.07608944  0.94444925
   0.53279751  0.57542303  0.04043510
   0.93191070  0.71657150  0.28714688
   0.56891095  0.83820046  0.03248711
   0.86029039  0.97813125  0.33491249
   0.95899626  0.93475309  0.15971007
   0.71502753  0.84381783  0.19204906
   0.80832221  0.63162995  0.43368479
   0.55338533  0.61919453  0.41145225
   0.64080499  0.60566881  0.59192865
   0.84473584  0.77747848  0.81459896
   0.66570455  0.84238676  0.47937311
   0.98460158  1.00960973  0.80389484
   1.00654399  0.82195824  0.67564851
   0.77135888  0.97956015  0.70030582
   0.77853608  0.67058214  0.97432768
   0.55898162  0.70324093  0.85877508
   0.78651496  0.78290394  0.60905209
   0.96942307  1.02819724  0.39126660
   0.85618530  0.29630908  0.08509243
   0.75148159  1.12631801  0.16059960
   0.44271633  0.05303392  0.65697585
   0.40235889  1.18519265  1.07155125
   0.53989785  1.33698710 -0.02322614
   0.39515116  1.24533277  0.08262662
   0.70318632  0.35102619  0.85332976
   0.52327995  0.73078666  0.63196670
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902742    0.082845   -0.134996
    -0.000000    9.634241    0.261306
    -0.000000    0.000000   13.959735
   Si   O    H 
    32    64    10
Direct configuration=  3373
   0.17031402  0.16157412  0.00713918
   0.36549425  0.10884558  0.38918354
   0.15734159  0.41402071  0.10388200
   0.39799470  0.35118387  0.24952202
   0.08311863  0.14195448  0.50267418
   0.40344828  0.08802231  0.87466266
   0.14688080  0.38726037  0.61364870
   0.37604065  0.37610066  0.75764489
   0.17458862  0.71697012  0.00021452
   0.39927795  0.59651428  0.37677174
   0.12471760  0.95263847  0.15231900
   0.36131152  0.86270523  0.27311377
   0.14431749  0.57458267  0.49320136
   0.38753772  0.67724553  0.83654872
   0.09354235  0.86742525  0.58991989
   0.38741577  0.91758997  0.68793577
   0.66498385  0.14828596  0.98456346
   0.85774186  0.15566697  0.34338362
   0.60442306  0.45520728  0.09878695
   0.86984239  0.37075323  0.17998337
   0.64126747  0.19373159  0.48840247
   0.93239741  0.13043642  0.88102047
   0.64050105  0.44561912  0.62200522
   0.82412099  0.39001440  0.80004940
   0.60552025  0.70565681 -0.02705109
   0.91480691  0.57321105  0.35489905
   0.60154014  0.91702344  0.13520339
   0.87087210  0.84872944  0.23766362
   0.66623202  0.67211381  0.47701517
   0.89774196  0.67180516  0.89614034
   0.69865029  0.91305253  0.59731830
   0.89856451  0.89416029  0.74814283
   0.17927976  0.09912870  0.11730375
   0.37099363  0.18987112  0.28312960
   0.16976376  0.33054437  0.00538307
   0.38883521  0.44277805  0.34389150
   0.54174257  0.37610889  0.19020254
   0.29143721  0.39616119  0.16819656
   0.21668495  0.13009337  0.44074809
  -0.01818950  0.20181095  0.41364317
   0.02623496 -0.00374505  0.53349588
   0.41679833  0.24089454  0.82351499
   0.08633770  0.21299717  0.60454195
   0.37983931  0.50220477  0.83354716
   0.49052303  0.41185859  0.67571635
   0.22326266  0.36055403  0.71917938
   0.26455044  0.08944851 -0.06589734
   0.02169404  0.11225970  0.97751628
   0.16775174  0.57968421  0.07175243
   0.38136981  0.69648424  0.27698952
   0.19712402  0.85424148  0.06692371
   0.38215098  0.95282291  0.36665980
   0.45240056  0.92536722  0.18500954
   0.19665916  0.89684715  0.25430001
   0.29441985  0.63943629  0.45123280
   0.06558042  0.55071969  0.39917798
   0.24541483  0.43089633  0.52597071
   0.35565736  0.73608862  0.72860968
   0.11349750  0.74143415  0.52356046
   0.38877292  0.94444738  0.81379620
   0.54134436  0.85694007  0.64025269
   0.24790087  0.92831626  0.62048853
   0.30375911  0.72855419 -0.06801261
   0.03498090  0.72013633  0.94293539
   0.67988985  0.07283755  0.10526341
   0.84850233  0.19024423  0.23024858
   0.61448914  0.31655121  0.01512262
   0.86751444  0.43811602  0.29355950
   0.03180536  0.39681983  0.17027281
   0.74915634  0.49535837  0.13401938
   0.71581045  0.20411282  0.38747703
   0.48709433  0.16253556  0.45252939
   0.69760352  0.07661393  0.55735966
   0.94315883  0.27487950  0.82792155
   0.64811457  0.34796467  0.52846236
   0.90448210  0.52156175  0.84491857
   1.03756515  0.50933436  0.59279694
   0.77023764  0.40994376  0.68802870
   0.77771270  0.09090252  0.91405786
   0.53170984  0.07733515  0.94549643
   0.53062948  0.57531857  0.04045916
   0.92975516  0.71445028  0.28662757
   0.57090143  0.83968458  0.03171562
   0.86229399  0.97746048  0.33622790
   0.95919154  0.93461946  0.15987241
   0.71557406  0.84241160  0.19274987
   0.80791749  0.63166927  0.43343621
   0.55270775  0.62050183  0.41199299
   0.64140399  0.60509004  0.59352434
   0.84478111  0.78005555  0.81484791
   0.66643388  0.84411717  0.47997125
   0.98573360  1.00953557  0.80443390
   1.00545485  0.82204074  0.67392223
   0.77376380  0.97993800  0.70073105
   0.77704998  0.67058933  0.97392068
   0.55731773  0.70204689  0.85975236
   0.77798426  0.77743131  0.60911381
   0.96249257  1.00878903  0.38792177
   0.85074334  0.29491297  0.08030551
   0.75231629  1.12368952  0.16205583
   0.43752397  0.05123867  0.65734599
   0.40393862  1.16019523  1.06688493
   0.53059819  1.34747875 -0.02852852
   0.40198001  1.25325623  0.08661761
   0.70533499  0.35358146  0.84998966
   0.52356995  0.70108152  0.62870257
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903261    0.084513   -0.137174
    -0.000000    9.633301    0.261890
    -0.000000    0.000000   13.959015
   Si   O    H 
    32    64    10
Direct configuration=  3374
   0.17058822  0.16292354  0.00694323
   0.36571020  0.10935629  0.38928782
   0.15736927  0.41406488  0.10294546
   0.39890787  0.35118649  0.24976277
   0.08257936  0.14342364  0.50358628
   0.40385988  0.08666348  0.87406961
   0.14753381  0.38656748  0.61383309
   0.37608096  0.37687539  0.75738860
   0.17587854  0.71768409  0.00112246
   0.39844975  0.59781363  0.37635256
   0.12459914  0.95386440  0.15161341
   0.36007570  0.86294365  0.27349763
   0.14380226  0.57558400  0.49345118
   0.38746124  0.67696571  0.83769669
   0.09463837  0.86747324  0.59052108
   0.38748798  0.91743769  0.68774854
   0.66549410  0.14866344  0.98505185
   0.85713066  0.15577744  0.34337510
   0.60466357  0.45336106  0.09868186
   0.86953246  0.37156847  0.17821909
   0.64059887  0.19403119  0.48953885
   0.93201990  0.12978208  0.88043299
   0.64012275  0.44555781  0.62235216
   0.82496344  0.38923571  0.79946545
   0.60409990  0.70553879 -0.02765358
   0.91528395  0.57208145  0.35495805
   0.60182614  0.91806288  0.13511129
   0.86985147  0.84836933  0.23801638
   0.66565050  0.67285815  0.47736386
   0.89688260  0.67172757  0.89644099
   0.69858152  0.91333994  0.59740203
   0.89995694  0.89513593  0.74866386
   0.18015102  0.09999869  0.11659638
   0.37145923  0.18968837  0.28366550
   0.17081376  0.32928908  0.00511044
   0.38904996  0.44240219  0.34446917
   0.54155736  0.37844178  0.19071581
   0.29278114  0.39712250  0.16843830
   0.21619299  0.12897254  0.44231010
  -0.01988054  0.20251926  0.41196044
   0.02335668 -0.00358149  0.53222963
   0.41581614  0.24318815  0.82303034
   0.08507187  0.21444511  0.60422688
   0.37916105  0.50162501  0.83310506
   0.48891450  0.41120596  0.67601854
   0.22390360  0.36131166  0.71788868
   0.26400346  0.09153764 -0.06436718
   0.02154351  0.11542974  0.97754025
   0.16902182  0.57940237  0.07249102
   0.38252902  0.69552462  0.27936532
   0.19720200  0.85536566  0.06569050
   0.38212465  0.95292660  0.36543313
   0.44930575  0.92637614  0.18492073
   0.19598403  0.89614482  0.25424443
   0.29536730  0.64020394  0.45252629
   0.06497157  0.54953630  0.39931030
   0.24429437  0.43061506  0.52567900
   0.35597741  0.73505089  0.72796536
   0.11279534  0.74177313  0.52357760
   0.38848551  0.94469721  0.81330787
   0.53826095  0.85681264  0.64082366
   0.24855299  0.92770373  0.61962552
   0.30302589  0.72918437 -0.06863871
   0.03481701  0.72161606  0.94471117
   0.67751156  0.07266411  0.10541495
   0.84986685  0.19012078  0.23008711
   0.61508445  0.31698105  0.01486714
   0.86675879  0.43848553  0.29409432
   0.03022554  0.39798044  0.17001698
   0.75057465  0.49719108  0.13554723
   0.71684380  0.20295979  0.38771502
   0.48644545  0.16250216  0.45225936
   0.69762222  0.07658636  0.55812872
   0.94491890  0.27530522  0.82791840
   0.64696179  0.34911786  0.52942092
   0.90447605  0.52176525  0.84427868
   1.03787595  0.51070812  0.59074049
   0.77274560  0.40999025  0.68852587
   0.77939459  0.09044316  0.91550099
   0.53172031  0.07941708  0.94679665
   0.52883012  0.57543571  0.04049778
   0.92769514  0.71236152  0.28590250
   0.57261650  0.84067370  0.03166041
   0.86476619  0.97698838  0.33793827
   0.95896498  0.93436116  0.16013664
   0.71685588  0.84081354  0.19355795
   0.80720813  0.63110045  0.43350997
   0.55113161  0.62140642  0.41248438
   0.64207138  0.60540437  0.59422599
   0.84482901  0.78216590  0.81551523
   0.66698107  0.84502517  0.48115171
   0.98574657  1.01035088  0.80569936
   1.00383106  0.82245980  0.67328514
   0.77564589  0.98077967  0.70160498
   0.77504759  0.67094511  0.97328833
   0.55525423  0.70070956  0.86113874
   0.77201927  0.77543907  0.61132542
   0.94708882  0.97949734  0.37975635
   0.84169907  0.29257015  0.07506264
   0.75270832  1.11926891  0.16361085
   0.43178189  0.05399883  0.66004438
   0.40319908  1.15071248  1.06441122
   0.52859846  1.35116007 -0.03226939
   0.41111973  1.24763772  0.08759939
   0.70486372  0.35587091  0.84961959
   0.53142012  0.68460170  0.62577102
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904432    0.086510   -0.139283
    -0.000000    9.632424    0.262561
    -0.000000    0.000000   13.958464
   Si   O    H 
    32    64    10
Direct configuration=  3375
   0.17117797  0.16436294  0.00699649
   0.36544569  0.11071553  0.38932518
   0.15765376  0.41425050  0.10206693
   0.39964417  0.35081111  0.25005698
   0.08127057  0.14504487  0.50412768
   0.40403321  0.08546617  0.87330099
   0.14772533  0.38604582  0.61370420
   0.37614359  0.37734080  0.75714910
   0.17698516  0.71793943  0.00234277
   0.39807036  0.59946022  0.37618251
   0.12439268  0.95441170  0.15123077
   0.35865342  0.86346891  0.27368690
   0.14353929  0.57636957  0.49423965
   0.38749960  0.67622598  0.83900891
   0.09572009  0.86751494  0.59078433
   0.38714822  0.91672637  0.68752603
   0.66622153  0.14882490  0.98612594
   0.85651431  0.15580731  0.34388642
   0.60511401  0.45179061  0.09847947
   0.86885738  0.37254078  0.17688439
   0.63935223  0.19439789  0.48993420
   0.93183977  0.12924979  0.88003191
   0.64002846  0.44471268  0.62299277
   0.82588916  0.38882904  0.79886686
   0.60350036  0.70515914 -0.02796770
   0.91534120  0.57132517  0.35484018
   0.60156268  0.91950598  0.13496870
   0.86791556  0.84851946  0.23860407
   0.66495211  0.67407335  0.47763933
   0.89517916  0.67134427  0.89661281
   0.69788941  0.91304748  0.59765327
   0.90136914  0.89626996  0.74882510
   0.18040948  0.10067695  0.11690914
   0.37263310  0.19059715  0.28471977
   0.17136517  0.32839602  0.00460090
   0.38932553  0.44114584  0.34495900
   0.54072578  0.38098165  0.19092344
   0.29373248  0.39741805  0.16902834
   0.21612119  0.12727794  0.44334181
  -0.02070615  0.20279624  0.41048658
   0.02031034 -0.00421603  0.53122624
   0.41451844  0.24437018  0.82193928
   0.08460530  0.21647883  0.60397134
   0.37828710  0.50127216  0.83277508
   0.48873374  0.41050028  0.67573726
   0.22518256  0.36295350  0.71689166
   0.26479612  0.09371160 -0.06283700
   0.02083931  0.11801744  0.97783103
   0.17004444  0.58002934  0.07349614
   0.38291218  0.69530633  0.28189506
   0.19662234  0.85672620  0.06471272
   0.38247890  0.95280986  0.36402334
   0.44744998  0.92797201  0.18452379
   0.19564057  0.89529776  0.25374489
   0.29510432  0.64045640  0.45402616
   0.06346599  0.54867610  0.39953265
   0.24289761  0.42955526  0.52549686
   0.35596709  0.73336071  0.72742220
   0.11178835  0.74163118  0.52307115
   0.38916722  0.94597414  0.81229332
   0.53554661  0.85669456  0.64167901
   0.24869063  0.92780704  0.61872175
   0.30256160  0.73003683 -0.06956559
   0.03363934  0.72366323  0.94638066
   0.67561383  0.07357871  0.10566649
   0.85114986  0.19052824  0.22964832
   0.61470294  0.31875977  0.01412228
   0.86575805  0.43848625  0.29456055
   0.02856901  0.39819400  0.16919711
   0.75260132  0.49901856  0.13675572
   0.71740460  0.20225516  0.38736566
   0.48597122  0.16342033  0.45241729
   0.69710980  0.07671688  0.55933256
   0.94592828  0.27524472  0.82799998
   0.64537880  0.35022615  0.53046255
   0.90450525  0.52154179  0.84382131
   1.03908577  0.51194770  0.58893111
   0.77504340  0.41010618  0.68896289
   0.78094127  0.09005728  0.91736561
   0.53223212  0.08209464  0.94836463
   0.52743853  0.57579139  0.04074588
   0.92551343  0.70995203  0.28513162
   0.57326101  0.84195893  0.03221756
   0.86691422  0.97640584  0.33925403
   0.95846670  0.93495413  0.16113138
   0.71897079  0.83964766  0.19402435
   0.80649045  0.63050062  0.43358906
   0.55043108  0.62147218  0.41267683
   0.64248567  0.60558819  0.59490114
   0.84404549  0.78385202  0.81607961
   0.66768930  0.84619144  0.48259495
   0.98556630  1.01091977  0.80712182
   1.00168568  0.82263398  0.67340486
   0.77760902  0.98139099  0.70184396
   0.77270517  0.67161984  0.97349225
   0.55207655  0.69896941  0.86232383
   0.77156449  0.77514698  0.61359201
   0.93188124  0.94662302  0.37109430
   0.83702113  0.29166131  0.07449948
   0.75098976  1.11682054  0.16330216
   0.43042051  0.06232534  0.66263243
   0.40469101  1.16173989  1.06817068
   0.53507552  1.34997042 -0.03234180
   0.41805709  1.22165718  0.08124927
   0.69968102  0.35612750  0.85056165
   0.54868093  0.67633698  0.61988615
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905688    0.087761   -0.141556
    -0.000000    9.631772    0.263238
    -0.000000    0.000000   13.958344
   Si   O    H 
    32    64    10
Direct configuration=  3376
   0.17105422  0.16506714  0.00762770
   0.36476085  0.11232195  0.38932715
   0.15812102  0.41467914  0.10125951
   0.40036213  0.35097674  0.25027316
   0.07999262  0.14680185  0.50468512
   0.40399259  0.08458033  0.87290303
   0.14737226  0.38529924  0.61357184
   0.37642850  0.37731814  0.75725219
   0.17831673  0.71810157  0.00354749
   0.39850915  0.60088313  0.37566948
   0.12462403  0.95496092  0.15107548
   0.35757953  0.86406242  0.27365622
   0.14312044  0.57790958  0.49502194
   0.38715443  0.67573643  0.83964867
   0.09640800  0.86787109  0.59106322
   0.38696851  0.91647207  0.68749146
   0.66662224  0.14905777  0.98733908
   0.85542204  0.15602495  0.34429960
   0.60611942  0.45051194  0.09824325
   0.86804610  0.37376150  0.17533339
   0.63843299  0.19426677  0.48991351
   0.93211464  0.12838128  0.87963163
   0.63959431  0.44303827  0.62383678
   0.82673460  0.38812288  0.79788090
   0.60343953  0.70452345 -0.02825164
   0.91511074  0.57073091  0.35437012
   0.60072807  0.92105448  0.13494659
   0.86650626  0.84884575  0.23887799
   0.66383407  0.67576446  0.47769681
   0.89316887  0.67038607  0.89723451
   0.69743744  0.91253609  0.59842614
   0.90263396  0.89754308  0.74901474
   0.18093871  0.10218621  0.11730491
   0.37345390  0.19248174  0.28580521
   0.17165022  0.32743004  0.00410064
   0.38965907  0.43981195  0.34528901
   0.53965525  0.38356418  0.19119108
   0.29398915  0.39722599  0.16904286
   0.21793173  0.12678769  0.44361333
  -0.02093253  0.20280689  0.40958723
   0.01806787 -0.00495980  0.53016101
   0.41294156  0.24525335  0.82083349
   0.08424132  0.21862374  0.60431695
   0.37750545  0.50038948  0.83194101
   0.48900569  0.41026473  0.67544104
   0.22587427  0.36418953  0.71622837
   0.26641246  0.09674283 -0.06181341
   0.02100644  0.11971905  0.97795878
   0.17054356  0.58043122  0.07466475
   0.38313187  0.69566764  0.28440255
   0.19563921  0.85775770  0.06407880
   0.38275342  0.95217629  0.36317531
   0.44668833  0.93003351  0.18415326
   0.19560758  0.89450326  0.25331175
   0.29450973  0.64131076  0.45541105
   0.06147444  0.54748148  0.39881841
   0.24236594  0.42877087  0.52527885
   0.35537134  0.73151186  0.72722836
   0.11016664  0.74122484  0.52198846
   0.38973264  0.94730313  0.81136653
   0.53273433  0.85589724  0.64235482
   0.24888270  0.92757117  0.61812845
   0.30283299  0.73135206 -0.07056816
   0.03256976  0.72518580  0.94847604
   0.67339971  0.07518011  0.10613559
   0.85119010  0.19080648  0.22916829
   0.61422470  0.32083017  0.01270739
   0.86348877  0.43882777  0.29489334
   0.02684597  0.39861326  0.16832977
   0.75482208  0.50027832  0.13867683
   0.71781390  0.20053595  0.38645985
   0.48536620  0.16497160  0.45271062
   0.69704051  0.07715033  0.56035707
   0.94657421  0.27514448  0.82801813
   0.64297957  0.35170432  0.53179801
   0.90409030  0.52117326  0.84342112
   1.03949387  0.51368897  0.58734587
   0.77731040  0.41100584  0.68933712
   0.78158426  0.08931387  0.91885937
   0.53236542  0.08489180  0.95029351
   0.52652286  0.57571631  0.04044937
   0.92258709  0.70772457  0.28424215
   0.57370944  0.84374608  0.03353672
   0.86649436  0.97718563  0.33847703
   0.95809594  0.93577839  0.16163490
   0.72054177  0.83857695  0.19404749
   0.80565313  0.62926948  0.43419748
   0.54986908  0.62079591  0.41307937
   0.64225609  0.60664552  0.59516802
   0.84249963  0.78457101  0.81723910
   0.66831980  0.84701502  0.48425597
   0.98593655  1.01138835  0.80871249
   0.99996208  0.82246117  0.67334475
   0.77882386  0.98166623  0.70165012
   0.77051990  0.67282703  0.97369821
   0.54972347  0.69773985  0.86386669
   0.77362315  0.78165449  0.61606747
   0.95699975  0.89248638  0.38623095
   0.83507707  0.29123791  0.07728175
   0.75058375  1.11510360  0.15923596
   0.42936840  0.07144381  0.66326467
   0.40001965  1.15124463  1.06788242
   0.54935188  1.34902272 -0.02867213
   0.42710461  1.21459410  0.07967374
   0.69395823  0.35618388  0.85030824
   0.57002697  0.67429430  0.61467775
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906397    0.088743   -0.144101
    -0.000000    9.631165    0.263584
    -0.000000    0.000000   13.958510
   Si   O    H 
    32    64    10
Direct configuration=  3377
   0.17034276  0.16518250  0.00832820
   0.36417746  0.11359138  0.38931660
   0.15853043  0.41499060  0.10074748
   0.40094894  0.35120603  0.25052705
   0.07913199  0.14858937  0.50482414
   0.40377828  0.08415393  0.87260418
   0.14704827  0.38440978  0.61368631
   0.37611655  0.37769311  0.75698530
   0.17913992  0.71872120  0.00506314
   0.39832559  0.60200176  0.37527122
   0.12462094  0.95551254  0.15131833
   0.35681356  0.86513212  0.27332095
   0.14346721  0.57908887  0.49569858
   0.38763953  0.67479526  0.83970025
   0.09699164  0.86805292  0.59106512
   0.38729019  0.91537712  0.68768196
   0.66678842  0.14925472  0.98864513
   0.85503718  0.15646636  0.34466098
   0.60621845  0.45038134  0.09777645
   0.86737839  0.37435938  0.17390305
   0.63710639  0.19428946  0.48969656
   0.93282227  0.12757690  0.87940736
   0.63925302  0.44074745  0.62496558
   0.82772118  0.38753460  0.79703864
   0.60400486  0.70333096 -0.02819118
   0.91532599  0.57043792  0.35421411
   0.59933392  0.92228725  0.13478071
   0.86459683  0.84993411  0.23887457
   0.66317897  0.67736476  0.47741793
   0.89128666  0.66881052  0.89798131
   0.69673666  0.91300814  0.59924466
   0.90395608  0.89883227  0.74927494
   0.18118634  0.10321824  0.11696317
   0.37426588  0.19462515  0.28679345
   0.17168899  0.32779673  0.00361664
   0.39115098  0.43903585  0.34586619
   0.53882505  0.38587506  0.19152414
   0.29330584  0.39569657  0.16948616
   0.21961870  0.12610663  0.44409337
  -0.02039877  0.20315322  0.40909082
   0.01541803 -0.00534695  0.52886549
   0.41152069  0.24568905  0.82036697
   0.08305925  0.22098188  0.60515880
   0.37660805  0.49953216  0.83095131
   0.48938583  0.41089202  0.67493807
   0.22558359  0.36481463  0.71531893
   0.26877757  0.09917885 -0.06118304
   0.02132493  0.12114556  0.97827828
   0.17160534  0.58037935  0.07566820
   0.38321349  0.69567388  0.28599013
   0.19500662  0.85863490  0.06339058
   0.38354421  0.95175969  0.36280971
   0.44684988  0.93192327  0.18350628
   0.19510933  0.89401425  0.25240699
   0.29477289  0.64191960  0.45674801
   0.06003055  0.54662997  0.39811405
   0.24152468  0.42791221  0.52542144
   0.35424379  0.73027453  0.72726053
   0.10788400  0.74132521  0.52171113
   0.39055389  0.94804426  0.80997887
   0.52997212  0.85546323  0.64347265
   0.24871509  0.92757086  0.61749329
   0.30288774  0.73182361 -0.07219577
   0.03137838  0.72648879  0.94978409
   0.67125498  0.07613908  0.10662177
   0.85091211  0.19050473  0.22819349
   0.61538519  0.32330985  0.01155737
   0.86062612  0.43945669  0.29532047
   0.02639984  0.39952666  0.16790531
   0.75633890  0.50099276  0.14091334
   0.71784288  0.19997714  0.38601020
   0.48615230  0.16628607  0.45307395
   0.69726443  0.07706825  0.56151580
   0.94621026  0.27594415  0.82758838
   0.64054367  0.35238442  0.53345211
   0.90365727  0.52249718  0.84266194
   1.04057455  0.51491277  0.58595162
   0.77861966  0.41237506  0.68969510
   0.78181725  0.08889690  0.91981759
   0.53306165  0.08719160  0.95171522
   0.52694444  0.57511662  0.04009539
   0.91983617  0.70627702  0.28324326
   0.57419983  0.84600396  0.03506279
   0.86666023  0.97710512  0.33761579
   0.95785924  0.93636647  0.16193252
   0.72207738  0.83742639  0.19430513
   0.80484023  0.62748146  0.43449477
   0.55015237  0.62099500  0.41351721
   0.64179164  0.60777560  0.59480872
   0.84149064  0.78417782  0.81872369
   0.66884263  0.84683672  0.48558274
   0.98583660  1.01215996  0.81048219
   0.99850037  0.82064020  0.67378902
   0.77965105  0.98206314  0.70115364
   0.76785473  0.67311176  0.97406024
   0.54794843  0.69648099  0.86564066
   0.77909465  0.78737671  0.61758390
   0.97628451  0.85417038  0.39935767
   0.83465057  0.29456595  0.08451001
   0.74960819  1.11596338  0.15370551
   0.42818692  0.07277314  0.66420699
   0.39250411  1.12899781  1.06708056
   0.54750129  1.35597439 -0.03706540
   0.43968882  1.21706416  0.07865344
   0.69261575  0.35868417  0.84641113
   0.59071564  0.67557963  0.61523970
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906913    0.089790   -0.146855
    -0.000000    9.630886    0.263476
    -0.000000    0.000000   13.958688
   Si   O    H 
    32    64    10
Direct configuration=  3378
   0.16971783  0.16492751  0.00858917
   0.36352192  0.11464944  0.38980687
   0.15885847  0.41572597  0.10023860
   0.40121585  0.35150589  0.25054554
   0.07874139  0.15006699  0.50421995
   0.40356804  0.08408166  0.87242723
   0.14634517  0.38410967  0.61398869
   0.37594379  0.37889393  0.75668282
   0.17986266  0.71899110  0.00613757
   0.39800324  0.60270008  0.37515984
   0.12433889  0.95540892  0.15152054
   0.35564742  0.86583586  0.27256575
   0.14430546  0.58011590  0.49614472
   0.38797116  0.67375741  0.83897538
   0.09795393  0.86859392  0.59108714
   0.38780856  0.91447605  0.68751811
   0.66655158  0.14936958  0.98988054
   0.85453393  0.15685098  0.34493678
   0.60665816  0.45035068  0.09757880
   0.86685485  0.37489290  0.17281268
   0.63626211  0.19433422  0.48982412
   0.93323892  0.12706626  0.87976694
   0.63886807  0.43882655  0.62583195
   0.82848720  0.38705303  0.79621513
   0.60412622  0.70221430 -0.02722905
   0.91505098  0.56996689  0.35354765
   0.59753843  0.92331782  0.13411865
   0.86298990  0.85065926  0.23912844
   0.66394255  0.67902441  0.47668232
   0.88963625  0.66753525  0.89859375
   0.69548804  0.91372121  0.60030360
   0.90567204  0.90038573  0.74925652
   0.18208764  0.10465339  0.11729228
   0.37498511  0.19658888  0.28773573
   0.17233318  0.32882319  0.00373297
   0.39254579  0.43869856  0.34673914
   0.53846888  0.38878597  0.19136394
   0.29252697  0.39336045  0.16978820
   0.22126486  0.12458581  0.44486212
  -0.01970971  0.20395992  0.40896151
   0.01279804 -0.00617700  0.52802222
   0.41059639  0.24553031  0.82071135
   0.08180536  0.22371078  0.60579789
   0.37636606  0.49898453  0.83057340
   0.49015757  0.41081524  0.67442753
   0.22532109  0.36525174  0.71452133
   0.27110328  0.10134474 -0.06080719
   0.02167546  0.12261147  0.97847326
   0.17268465  0.58042535  0.07620082
   0.38354144  0.69682879  0.28702361
   0.19420365  0.85933878  0.06256448
   0.38428194  0.95174797  0.36338507
   0.44683709  0.93289122  0.18306870
   0.19425618  0.89313582  0.25126168
   0.29453036  0.64213264  0.45771165
   0.05921459  0.54581137  0.39742883
   0.24172227  0.42794529  0.52533345
   0.35337759  0.72971846  0.72751479
   0.10552890  0.74162500  0.52103125
   0.39100558  0.94978320  0.80938946
   0.52736606  0.85574621  0.64435547
   0.24849767  0.92651992  0.61720504
   0.30325564  0.73220014 -0.07323208
   0.03060960  0.72780823  0.95122753
   0.66931391  0.07768228  0.10708133
   0.85097515  0.19052989  0.22730220
   0.61679744  0.32514539  0.01043039
   0.85815827  0.44072290  0.29611213
   0.02713037  0.40033225  0.16756172
   0.75632312  0.50159159  0.14253720
   0.71712128  0.19992716  0.38540383
   0.48657132  0.16680070  0.45419678
   0.69747660  0.07717616  0.56194946
   0.94620360  0.27656135  0.82660936
   0.63874656  0.35293758  0.53459513
   0.90356490  0.52433490  0.84254265
   1.04149790  0.51435960  0.58478989
   0.77899322  0.41440136  0.69037095
   0.78193042  0.08945034  0.92153014
   0.53305211  0.08998927  0.95255130
   0.52794646  0.57487470  0.03951868
   0.91770518  0.70477220  0.28316443
   0.57477681  0.84752557  0.03607952
   0.86638423  0.97556858  0.33667859
   0.95774635  0.93622592  0.16193596
   0.72258887  0.83654461  0.19454371
   0.80420905  0.62563871  0.43524371
   0.55047700  0.62111677  0.41355964
   0.64316660  0.60696576  0.59382641
   0.84071336  0.78315625  0.82026814
   0.66915822  0.84689571  0.48673528
   0.98566499  1.01291138  0.81205329
   0.99671698  0.81906528  0.67379185
   0.78062977  0.98305709  0.70073524
   0.76457664  0.67439779  0.97486968
   0.54591437  0.69585764  0.86722982
   0.78167318  0.79090306  0.61963899
   0.99444573  0.82162968  0.41126899
   0.83510022  0.29680027  0.08726853
   0.75137011  1.11917729  0.15035895
   0.42838093  0.06975555  0.66813251
   0.39879612  1.12886821  1.06970472
   0.54491385  1.36028183 -0.04344173
   0.43690166  1.19941375  0.07539029
   0.69907129  0.36205160  0.84082411
   0.58596714  0.70330699  0.62563337
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907587    0.091520   -0.149827
    -0.000000    9.630548    0.263284
    -0.000000    0.000000   13.958608
   Si   O    H 
    32    64    10
Direct configuration=  3379
   0.16912928  0.16532628  0.00898316
   0.36258612  0.11539258  0.39040025
   0.15907193  0.41643490  0.09961950
   0.40172179  0.35187628  0.25060026
   0.07834420  0.15111874  0.50355033
   0.40412335  0.08419786  0.87251232
   0.14557986  0.38406626  0.61442154
   0.37569627  0.37940472  0.75617380
   0.18036445  0.71897386  0.00724739
   0.39750519  0.60302673  0.37544943
   0.12479918  0.95453370  0.15158558
   0.35437733  0.86611266  0.27166473
   0.14550894  0.58085588  0.49654095
   0.38784655  0.67278676  0.83791413
   0.09923381  0.86922534  0.59084714
   0.38801280  0.91358365  0.68712034
   0.66610217  0.14917045  0.99153375
   0.85471402  0.15683808  0.34479178
   0.60751969  0.45094838  0.09768563
   0.86599415  0.37518537  0.17273578
   0.63618261  0.19448591  0.48986732
   0.93275363  0.12688557  0.88043493
   0.63859448  0.43723884  0.62708959
   0.82923284  0.38667168  0.79576247
   0.60433982  0.70211218 -0.02565372
   0.91500425  0.56980778  0.35276822
   0.59630211  0.92426684  0.13379814
   0.86236774  0.85175264  0.23978249
   0.66523471  0.68069337  0.47613606
   0.88786949  0.66616661  0.89900289
   0.69403679  0.91475802  0.60131532
   0.90663984  0.90152128  0.74910729
   0.18334764  0.10665393  0.11804662
   0.37545836  0.19823543  0.28899485
   0.17229029  0.33072020  0.00357661
   0.39317974  0.43930487  0.34740211
   0.53882182  0.39030300  0.19112395
   0.29140194  0.39075489  0.17011164
   0.22278414  0.12341398  0.44582383
  -0.01856811  0.20526995  0.40917435
   0.01045908 -0.00620512  0.52770705
   0.41021762  0.24406130  0.82106251
   0.08115229  0.22678517  0.60621742
   0.37636635  0.49884421  0.83050864
   0.49056561  0.40980457  0.67373680
   0.22574440  0.36510250  0.71368744
   0.27327189  0.10285332 -0.06082160
   0.02275335  0.12328854  0.97768487
   0.17431869  0.58123795  0.07652981
   0.38499366  0.69880184  0.28746207
   0.19363972  0.86043802  0.06211541
   0.38502473  0.95263649  0.36448202
   0.44681742  0.93503396  0.18283725
   0.19233768  0.89189484  0.25014165
   0.29473244  0.64312819  0.45861525
   0.05895037  0.54520059  0.39643907
   0.24239774  0.42793931  0.52520753
   0.35335749  0.72947184  0.72818275
   0.10317817  0.74156042  0.52055779
   0.39131041  0.95190726  0.80911572
   0.52614275  0.85543992  0.64493310
   0.24787394  0.92533799  0.61662578
   0.30349358  0.73214476 -0.07440822
   0.02940392  0.72910526  0.95208523
   0.66713955  0.07869589  0.10719364
   0.85024510  0.19065725  0.22639072
   0.61744871  0.32662743  0.00883925
   0.85629732  0.44081041  0.29703797
   0.02852901  0.40131192  0.16740383
   0.75587105  0.50360113  0.14321739
   0.71540764  0.19988598  0.38531111
   0.48668452  0.16742731  0.45583927
   0.69783035  0.07699299  0.56239339
   0.94568911  0.27716996  0.82556011
   0.63754746  0.35263072  0.53503623
   0.90337060  0.52616434  0.84249109
   1.04317389  0.51383915  0.58402923
   0.77861841  0.41667582  0.68976797
   0.78199019  0.08976282  0.92300591
   0.53252554  0.09286374  0.95264609
   0.52971811  0.57444704  0.03872620
   0.91554474  0.70408350  0.28272404
   0.57486443  0.84887146  0.03672419
   0.86564457  0.97298387  0.33585898
   0.95813461  0.93564028  0.16198755
   0.72175992  0.83570254  0.19508741
   0.80393705  0.62381430  0.43580779
   0.55059497  0.62084504  0.41350964
   0.64417840  0.60727603  0.59246500
   0.84048776  0.78220812  0.82155867
   0.66964140  0.84701917  0.48750938
   0.98676625  1.01348136  0.81291064
   0.99536456  0.81769813  0.67431585
   0.78054236  0.98346570  0.70022454
   0.76209109  0.67530614  0.97591136
   0.54406294  0.69596079  0.86854438
   0.78599657  0.79199480  0.62027577
   1.01143103  0.79620223  0.42054020
   0.83852855  0.29582552  0.08381856
   0.74996451  1.12346417  0.15138318
   0.42723486  0.06391589  0.67141280
   0.40939842  1.13315130  1.07491227
   0.55037036  1.35779254 -0.04511409
   0.42883276  1.18234683  0.07294462
   0.70558515  0.36403915  0.83767675
   0.58010899  0.73130275  0.63531850
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908439    0.092548   -0.152793
    -0.000000    9.629694    0.263616
    -0.000000    0.000000   13.958177
   Si   O    H 
    32    64    10
Direct configuration=  3380
   0.16847404  0.16526011  0.00927174
   0.36125944  0.11629820  0.39132347
   0.15984507  0.41737641  0.09927624
   0.40194455  0.35214979  0.25043140
   0.07786517  0.15171128  0.50270829
   0.40483731  0.08401215  0.87225886
   0.14495564  0.38466205  0.61470913
   0.37536933  0.37943903  0.75552991
   0.18074679  0.71883959  0.00797914
   0.39692338  0.60255230  0.37608198
   0.12510335  0.95341813  0.15130039
   0.35385845  0.86623224  0.27069574
   0.14681999  0.58143731  0.49704064
   0.38766056  0.67178191  0.83651417
   0.09994054  0.86876801  0.59058037
   0.38782927  0.91289737  0.68716462
   0.66600511  0.14917839  0.99306991
   0.85497692  0.15651296  0.34400177
   0.60862129  0.45182074  0.09778194
   0.86545212  0.37536079  0.17315974
   0.63608125  0.19484791  0.48946313
   0.93200835  0.12644948  0.88124043
   0.63826773  0.43668138  0.62811495
   0.83057327  0.38742081  0.79525410
   0.60439684  0.70200628 -0.02424222
   0.91504955  0.56969657  0.35244416
   0.59548537  0.92518548  0.13378161
   0.86203366  0.85378572  0.24116692
   0.66657556  0.68237704  0.47581036
   0.88667858  0.66475804  0.89955194
   0.69279053  0.91548520  0.60251017
   0.90715946  0.90186825  0.74910362
   0.18479659  0.10771751  0.11905961
   0.37586555  0.19928544  0.28967425
   0.17166186  0.33356968  0.00322899
   0.39346213  0.43995302  0.34778558
   0.53931060  0.39216723  0.19105259
   0.28982556  0.38825276  0.16976704
   0.22356394  0.12271659  0.44696705
  -0.01649110  0.20696882  0.40924289
   0.00803722 -0.00629028  0.52722850
   0.41028020  0.24159905  0.82133481
   0.08044954  0.23004123  0.60600366
   0.37717052  0.49951701  0.83095570
   0.49138564  0.40777376  0.67363375
   0.22564473  0.36533686  0.71291435
   0.27607137  0.10380752 -0.06096393
   0.02376494  0.12390937  0.97718879
   0.17571586  0.58197861  0.07676429
   0.38564932  0.70211274  0.28759148
   0.19292146  0.86192436  0.06205734
   0.38559204  0.95338335  0.36564874
   0.44706869  0.93676570  0.18281937
   0.19031331  0.89052499  0.24883396
   0.29495984  0.64407575  0.45966412
   0.05816320  0.54435875  0.39555249
   0.24327250  0.42753886  0.52541105
   0.35367459  0.72985950  0.72851553
   0.10093286  0.74214572  0.51945796
   0.39181487  0.95426926  0.80842400
   0.52610401  0.85453062  0.64519816
   0.24726313  0.92436237  0.61665788
   0.30399230  0.73173042 -0.07539472
   0.02819767  0.72977311  0.95274832
   0.66543280  0.07979244  0.10748938
   0.84968478  0.19111964  0.22531486
   0.61781531  0.32793167  0.00648988
   0.85509125  0.44033048  0.29814829
   0.02902456  0.40185378  0.16698838
   0.75527150  0.50518448  0.14352035
   0.71340884  0.20003742  0.38613733
   0.48679549  0.16750145  0.45742023
   0.69842573  0.07657579  0.56273960
   0.94554566  0.27742104  0.82502356
   0.63624359  0.35045283  0.53459056
   0.90282622  0.52761653  0.84231744
   1.04372594  0.51327798  0.58462644
   0.77776942  0.41951185  0.68918270
   0.78052221  0.09045864  0.92463215
   0.53143144  0.09387054  0.95205071
   0.53197783  0.57383940  0.03793257
   0.91386688  0.70396943  0.28188316
   0.57560076  0.84976236  0.03725642
   0.86488198  0.97071401  0.33480499
   0.95900108  0.93464148  0.16152210
   0.71974417  0.83558138  0.19524434
   0.80446374  0.62183769  0.43655598
   0.54962988  0.61981886  0.41344943
   0.64560714  0.60808925  0.59117616
   0.84001397  0.78150109  0.82213699
   0.66993477  0.84717079  0.48756883
   0.98795477  1.01402379  0.81341068
   0.99374992  0.81628560  0.67493849
   0.77993951  0.98315037  0.69910480
   0.75939145  0.67655438  0.97713599
   0.54306501  0.69636807  0.86964955
   0.78833085  0.79475679  0.61793788
   1.03170396  0.77300153  0.43099590
   0.84001213  0.29772517  0.07664554
   0.74657136  1.13027472  0.15576384
   0.42846923  0.05718322  0.67351574
   0.41325472  1.11894484  1.08173683
   0.55554069  1.35495528 -0.04659787
   0.42746738  1.18711295  0.06808768
   0.70512717  0.36148590  0.84087397
   0.56908260  0.75742518  0.64859437
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909523    0.093822   -0.155840
    -0.000000    9.628787    0.263270
    -0.000000    0.000000   13.958009
   Si   O    H 
    32    64    10
Direct configuration=  3381
   0.16809313  0.16577141  0.00936163
   0.36079279  0.11717772  0.39215854
   0.16103790  0.41805481  0.09888014
   0.40202405  0.35253715  0.25024447
   0.07751573  0.15202180  0.50204344
   0.40587055  0.08432131  0.87200541
   0.14469761  0.38477718  0.61479356
   0.37554503  0.37921596  0.75520595
   0.18130611  0.71815064  0.00828334
   0.39629540  0.60146844  0.37679597
   0.12501998  0.95243872  0.15093433
   0.35373642  0.86599687  0.26951955
   0.14813076  0.58167610  0.49757647
   0.38763998  0.67072964  0.83514892
   0.09986281  0.86881550  0.59015765
   0.38738416  0.91272061  0.68740041
   0.66629316  0.14943639  0.99458032
   0.85529151  0.15591971  0.34303513
   0.60972955  0.45292584  0.09801437
   0.86498655  0.37493170  0.17396009
   0.63531723  0.19524605  0.48916182
   0.93079886  0.12565253  0.88229259
   0.63831555  0.43623969  0.62899294
   0.83235376  0.38835419  0.79436309
   0.60437332  0.70207184 -0.02297922
   0.91453948  0.56915939  0.35215474
   0.59448194  0.92609286  0.13390971
   0.86212919  0.85595094  0.24267717
   0.66806868  0.68407746  0.47567776
   0.88591423  0.66458144  0.89996236
   0.69227063  0.91548728  0.60325409
   0.90736299  0.90070921  0.74956919
   0.18578875  0.10873139  0.12058796
   0.37638836  0.20005787  0.29042760
   0.17085275  0.33616773  0.00249656
   0.39407871  0.44141673  0.34832324
   0.53962060  0.39368551  0.19124870
   0.28783444  0.38678782  0.16946406
   0.22447749  0.12304228  0.44732533
  -0.01500257  0.20894435  0.40968261
   0.00643857 -0.00569396  0.52685020
   0.41042300  0.23983365  0.82174840
   0.07983120  0.23255447  0.60551957
   0.37773087  0.50160505  0.83152526
   0.49204014  0.40588817  0.67353076
   0.22535042  0.36578438  0.71247244
   0.27841232  0.10452845 -0.06168451
   0.02471505  0.12418224  0.97660912
   0.17712887  0.58299119  0.07695747
   0.38599426  0.70665838  0.28728757
   0.19224102  0.86353814  0.06212795
   0.38629194  0.95428700  0.36679083
   0.44682857  0.93757765  0.18223735
   0.18899969  0.88984932  0.24789796
   0.29481413  0.64486386  0.46034580
   0.05831281  0.54471136  0.39492998
   0.24443754  0.42652914  0.52559392
   0.35347633  0.73010039  0.72880290
   0.09824190  0.74262207  0.51776301
   0.39176468  0.95506227  0.80750920
   0.52752891  0.85373875  0.64500375
   0.24665894  0.92336152  0.61761476
   0.30402573  0.73131275 -0.07631774
   0.02644526  0.72969454  0.95363539
   0.66460027  0.08090811  0.10813411
   0.84841383  0.19166749  0.22400216
   0.61807765  0.32900789  0.00444226
   0.85419921  0.43965098  0.29911639
   0.02939089  0.40333439  0.16636718
   0.75496909  0.50661081  0.14351709
   0.71216396  0.20070394  0.38663512
   0.48676873  0.16718677  0.45843404
   0.69927496  0.07665807  0.56278523
   0.94526228  0.27760944  0.82478520
   0.63472866  0.34911865  0.53418575
   0.90203250  0.52845609  0.84173813
   1.04440382  0.51285355  0.58550881
   0.77648320  0.42187438  0.68835875
   0.77920876  0.09131572  0.92602502
   0.53014337  0.09510835  0.95062686
   0.53441470  0.57312939  0.03755670
   0.91201048  0.70465684  0.28092915
   0.57645412  0.85017625  0.03715464
   0.86396585  0.96956051  0.33314855
   0.95928095  0.93283851  0.16038468
   0.71617150  0.83554741  0.19511762
   0.80578913  0.61955682  0.43716143
   0.54810868  0.61898192  0.41374269
   0.64600989  0.60956192  0.58982254
   0.83989523  0.78031987  0.82223612
   0.67058210  0.84766273  0.48753483
   0.98913807  1.01402569  0.81357954
   0.99358817  0.81597047  0.67477606
   0.77828936  0.98343093  0.69835261
   0.75706626  0.67657042  0.97819067
   0.54176027  0.69669252  0.87030069
   0.78867007  0.79615631  0.61669153
   1.05270132  0.74945772  0.44283634
   0.84222445  0.30085447  0.07097437
   0.74667698  1.13319714  0.16169166
   0.42985741  0.05187695  0.67336343
   0.41449155  1.10198171  1.08976527
   0.55791190  1.35030494 -0.04850761
   0.42578215  1.19702783  0.06415759
   0.70056267  0.35898961  0.84657615
   0.55243708  0.77949552  0.65941831
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910222    0.094736   -0.158833
    -0.000000    9.628175    0.263204
    -0.000000    0.000000   13.958067
   Si   O    H 
    32    64    10
Direct configuration=  3382
   0.16784604  0.16651441  0.00914782
   0.36092692  0.11799201  0.39244830
   0.16224360  0.41920318  0.09902980
   0.40132483  0.35316037  0.25000485
   0.07691729  0.15208825  0.50160695
   0.40700152  0.08530999  0.87154404
   0.14474224  0.38552317  0.61488731
   0.37607781  0.37896887  0.75521976
   0.18130451  0.71797859  0.00804506
   0.39571534  0.60036312  0.37780145
   0.12452766  0.95152127  0.15024577
   0.35339532  0.86675210  0.26899447
   0.14949248  0.58127934  0.49837586
   0.38771709  0.66986192  0.83359728
   0.09907293  0.86895776  0.58997640
   0.38602663  0.91272744  0.68811000
   0.66686902  0.14967605  0.99585376
   0.85577226  0.15528767  0.34256356
   0.61060059  0.45396788  0.09845988
   0.86404101  0.37487580  0.17501114
   0.63509221  0.19583617  0.48897489
   0.93040499  0.12528812  0.88327007
   0.63810682  0.43661840  0.62942120
   0.83396266  0.38948244  0.79371105
   0.60374480  0.70199162 -0.02154997
   0.91381694  0.56883472  0.35174724
   0.59334533  0.92594870  0.13426183
   0.86266555  0.85823823  0.24394499
   0.66953704  0.68584241  0.47525886
   0.88544985  0.66541902  0.90041310
   0.69145639  0.91557186  0.60387949
   0.90721272  0.89947026  0.75004773
   0.18713648  0.10939339  0.12230200
   0.37703076  0.20084168  0.29123363
   0.17073710  0.33822615  0.00168469
   0.39457825  0.44324939  0.34842465
   0.54046343  0.39489036  0.19163190
   0.28564274  0.38559680  0.16929087
   0.22525652  0.12361417  0.44762984
  -0.01446660  0.21044040  0.41020212
   0.00562114 -0.00546495  0.52693625
   0.41065321  0.23789970  0.82204792
   0.07901277  0.23355125  0.60426741
   0.37830100  0.50354062  0.83195727
   0.49192059  0.40320427  0.67356592
   0.22485060  0.36528099  0.71238315
   0.27925142  0.10446099 -0.06206637
   0.02528615  0.12439831  0.97617516
   0.17779976  0.58386907  0.07701533
   0.38639798  0.71055602  0.28698603
   0.19163493  0.86415461  0.06243274
   0.38712207  0.95482657  0.36728112
   0.44801554  0.93819166  0.18209886
   0.18797234  0.88891974  0.24767136
   0.29416202  0.64576549  0.46163498
   0.05904611  0.54582999  0.39481396
   0.24564852  0.42563148  0.52564660
   0.35401676  0.73038678  0.72851898
   0.09459758  0.74310953  0.51557711
   0.39187631  0.95607178  0.80663187
   0.52935141  0.85674523  0.64370756
   0.24572134  0.92266609  0.61904741
   0.30296167  0.73134299 -0.07742725
   0.02485252  0.72867877  0.95439344
   0.66393469  0.08209349  0.10885437
   0.84754834  0.19271300  0.22255465
   0.61827073  0.32856855  0.00351070
   0.85317852  0.43961296  0.29926475
   0.02897045  0.40468348  0.16564131
   0.75561054  0.50664246  0.14337640
   0.71180367  0.20137458  0.38688220
   0.48557538  0.16730917  0.45910188
   0.70008073  0.07667300  0.56257534
   0.94474666  0.27598255  0.82456614
   0.63388367  0.34793208  0.53327583
   0.90143836  0.52891658  0.84125324
   1.04500345  0.51285829  0.58738564
   0.77527393  0.42398750  0.68803185
   0.77822997  0.09256917  0.92714963
   0.52877191  0.09569044  0.94878712
   0.53611746  0.57278058  0.03666753
   0.91058872  0.70456561  0.27968799
   0.57802634  0.85037225  0.03653307
   0.86298030  0.96927823  0.33224767
   0.95963215  0.93155042  0.16014057
   0.71184219  0.83599619  0.19502928
   0.80675988  0.61719599  0.43782757
   0.54684820  0.61781650  0.41442089
   0.64643925  0.61099108  0.58907923
   0.84048729  0.77997794  0.82188630
   0.67094435  0.84861191  0.48777397
   0.99050960  1.01329984  0.81409141
   0.99423511  0.81620507  0.67468109
   0.77697246  0.98396866  0.69806504
   0.75614768  0.67694026  0.97899470
   0.54148212  0.69694863  0.87100918
   0.78741583  0.79389620  0.61405969
   1.07106368  0.73443884  0.45925943
   0.84476423  0.30182206  0.06909932
   0.74761049  1.13801591  0.16954793
   0.43001559  0.05210280  0.67134947
   0.41428332  1.10915241  1.09222633
   0.55285025  1.34903916 -0.05270069
   0.42180674  1.18701149  0.06582631
   0.69463404  0.35790405  0.84679169
   0.55493976  0.72291452  0.68382285
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910830    0.095756   -0.162025
    -0.000000    9.627501    0.263109
    -0.000000    0.000000   13.957908
   Si   O    H 
    32    64    10
Direct configuration=  3383
   0.16825216  0.16694695  0.00896259
   0.36185358  0.11895112  0.39234388
   0.16275159  0.42037773  0.09905729
   0.40049218  0.35364213  0.24919063
   0.07579522  0.15176334  0.50099365
   0.40812786  0.08668626  0.87070394
   0.14494278  0.38642469  0.61430625
   0.37647711  0.37903567  0.75582987
   0.18091190  0.71785744  0.00769524
   0.39527440  0.59949551  0.37888608
   0.12369810  0.95106041  0.14913900
   0.35316388  0.86821986  0.26869370
   0.15154350  0.57977040  0.49920698
   0.38739306  0.66887707  0.83254830
   0.09775787  0.87016910  0.58986903
   0.38467520  0.91309489  0.68889749
   0.66790953  0.15007737  0.99693581
   0.85564143  0.15447050  0.34198842
   0.61126262  0.45569030  0.09936317
   0.86325907  0.37459102  0.17649260
   0.63551297  0.19625969  0.48891468
   0.93012877  0.12440673  0.88426378
   0.63796668  0.43709944  0.62922293
   0.83488565  0.39034562  0.79354765
   0.60333413  0.70210552 -0.02013642
   0.91230463  0.56915805  0.35152444
   0.59252649  0.92632201  0.13464639
   0.86281150  0.86010246  0.24480074
   0.67136207  0.68735700  0.47473774
   0.88530125  0.66676913  0.90141226
   0.69102177  0.91572354  0.60474304
   0.90640148  0.89848711  0.75099443
   0.18806447  0.10988805  0.12386378
   0.37779615  0.20024972  0.29169951
   0.17040078  0.33946206  0.00109610
   0.39418235  0.44471862  0.34766175
   0.54127635  0.39560694  0.19174195
   0.28365374  0.38462653  0.16909964
   0.22525818  0.12488219  0.44856234
  -0.01412799  0.21146517  0.41062532
   0.00496810 -0.00536377  0.52711329
   0.41088168  0.23618543  0.82147481
   0.07838041  0.23518660  0.60282419
   0.37934234  0.50460572  0.83212919
   0.49144520  0.40075874  0.67304849
   0.22457091  0.36583913  0.71242230
   0.27875773  0.10382073 -0.06211223
   0.02546339  0.12409320  0.97621844
   0.17877663  0.58453846  0.07772820
   0.38736050  0.71316181  0.28688350
   0.19079425  0.86489979  0.06252805
   0.38711074  0.95505797  0.36740273
   0.44891330  0.93913857  0.18266281
   0.18766729  0.88821818  0.24722025
   0.29299252  0.64733086  0.46265391
   0.06040526  0.54710798  0.39496575
   0.24648346  0.42448071  0.52576229
   0.35461555  0.73068410  0.72746731
   0.09179005  0.74320852  0.51550620
   0.39229604  0.95687009  0.80554071
   0.53182758  0.85862813  0.64286634
   0.24449251  0.92156456  0.62032957
   0.30151584  0.73081852 -0.07752001
   0.02312382  0.72770436  0.95451805
   0.66285586  0.08400161  0.10967227
   0.84719138  0.19429818  0.22139217
   0.61841473  0.32829904  0.00296402
   0.85286019  0.43914178  0.29917047
   0.02850946  0.40645327  0.16511818
   0.75561012  0.50639509  0.14289687
   0.71204761  0.20246251  0.38756344
   0.48301793  0.16689820  0.46009651
   0.70089427  0.07785185  0.56198194
   0.94480704  0.27454651  0.82506826
   0.63279455  0.34597610  0.53225740
   0.90047411  0.52889820  0.84030780
   1.04572596  0.51373724  0.58846354
   0.77453125  0.42479189  0.68760162
   0.77755764  0.09362898  0.92799425
   0.52781344  0.09570579  0.94721898
   0.53691249  0.57303641  0.03662900
   0.91062829  0.70513418  0.27795944
   0.57923741  0.85038542  0.03524177
   0.86174496  0.96969698  0.33152071
   0.95914149  0.93013759  0.16004961
   0.70763366  0.83595034  0.19503516
   0.80778109  0.61458047  0.43794720
   0.54599144  0.61717981  0.41517526
   0.64665429  0.61184931  0.58857327
   0.84159319  0.78032561  0.82120434
   0.67205859  0.84966490  0.48777363
   0.99109928  1.01198052  0.81427290
   0.99551188  0.81565688  0.67437332
   0.77641856  0.98424700  0.69765147
   0.75670439  0.67750299  0.98004399
   0.54128228  0.69781562  0.87133655
   0.78681607  0.79169562  0.61259580
   1.06480691  0.72789685  0.43439465
   0.84821138  0.30234906  0.06997914
   0.75100990  1.14016243  0.17482921
   0.42672964  0.06079287  0.66714018
   0.41489886  1.12535603  1.09174594
   0.54945922  1.34828107 -0.05643201
   0.41569042  1.17119362  0.07143132
   0.69631205  0.35722702  0.84512679
   0.55726620  0.68667865  0.69772846
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911412    0.096358   -0.165430
    -0.000000    9.626775    0.262234
    -0.000000    0.000000   13.957839
   Si   O    H 
    32    64    10
Direct configuration=  3384
   0.16860925  0.16713598  0.00881360
   0.36350543  0.11968800  0.39256015
   0.16285570  0.42181175  0.09925983
   0.39982034  0.35443451  0.24873479
   0.07507208  0.15135080  0.50055443
   0.40860538  0.08765017  0.86987029
   0.14550718  0.38719108  0.61335920
   0.37671927  0.37899659  0.75629699
   0.18018790  0.71760518  0.00673283
   0.39490005  0.59828708  0.37928741
   0.12190711  0.95113920  0.14797904
   0.35308152  0.86975365  0.26840973
   0.15348731  0.57863461  0.50009946
   0.38705835  0.66835439  0.83190715
   0.09616811  0.87127085  0.58966695
   0.38416950  0.91352422  0.68919529
   0.66879526  0.15093820  0.99798008
   0.85548572  0.15306582  0.34144278
   0.61220534  0.45763362  0.09992425
   0.86226567  0.37391140  0.17771316
   0.63515796  0.19616948  0.48950158
   0.93009493  0.12296295  0.88467626
   0.63728357  0.43737035  0.62818773
   0.83493065  0.39152599  0.79384582
   0.60254620  0.70238829 -0.01915124
   0.91073109  0.56915495  0.35174866
   0.59211163  0.92626001  0.13503464
   0.86280839  0.86181320  0.24545197
   0.67327809  0.68827049  0.47461176
   0.88511883  0.66731400  0.90219048
   0.69071224  0.91563463  0.60516526
   0.90466007  0.89783990  0.75158092
   0.18961846  0.10951601  0.12467809
   0.37959057  0.20149896  0.29197359
   0.17081690  0.34063929  0.00099044
   0.39349716  0.44598976  0.34676676
   0.54139115  0.39626977  0.19154073
   0.28189098  0.38372664  0.16958683
   0.22413861  0.12631894  0.44934248
  -0.01483090  0.21210124  0.41079680
   0.00527695 -0.00487712  0.52683677
   0.41179656  0.23477161  0.82009348
   0.07769421  0.23720013  0.60141601
   0.38001626  0.50508029  0.83252504
   0.49082566  0.39898493  0.67262425
   0.22495708  0.36617590  0.71272506
   0.27766967  0.10347415 -0.06203605
   0.02533279  0.12351698  0.97685607
   0.17926403  0.58497201  0.07889935
   0.38829689  0.71482101  0.28683676
   0.18997305  0.86552049  0.06213196
   0.38680366  0.95488882  0.36713220
   0.45010958  0.93913071  0.18354985
   0.18737109  0.88821504  0.24697755
   0.29176939  0.64869788  0.46269985
   0.06218512  0.54814501  0.39563390
   0.24762665  0.42403484  0.52631378
   0.35555961  0.73129606  0.72556535
   0.08837100  0.74250298  0.51479890
   0.39216836  0.95725864  0.80452498
   0.53350524  0.85947957  0.64237217
   0.24360345  0.92012033  0.62194059
   0.29948358  0.73030122 -0.07729473
   0.02091136  0.72635087  0.95463509
   0.66205614  0.08470127  0.11041398
   0.84741107  0.19621787  0.22042142
   0.61879813  0.32847263  0.00225456
   0.85326853  0.43864910  0.29864180
   0.02888153  0.40734103  0.16414354
   0.75537024  0.50625213  0.14177481
   0.71356255  0.20241814  0.38880465
   0.47939053  0.16657875  0.46128501
   0.70096396  0.08000993  0.56159028
   0.94435722  0.27198540  0.82563817
   0.63261121  0.34499160  0.53108304
   0.89891760  0.52834759  0.83912292
   1.04604564  0.51526841  0.58969956
   0.77425156  0.42515659  0.68748142
   0.77726340  0.09444619  0.92909727
   0.52716235  0.09572486  0.94582220
   0.53702747  0.57309704  0.03677311
   0.91036142  0.70638743  0.27703848
   0.58034640  0.84989284  0.03344306
   0.86149567  0.97096416  0.33052497
   0.95895050  0.92854284  0.15963464
   0.70382649  0.83661666  0.19541367
   0.80891720  0.61259326  0.43764789
   0.54554338  0.61649165  0.41621885
   0.64684083  0.61209360  0.58811430
   0.84247593  0.78030735  0.82058585
   0.67287137  0.85086649  0.48743768
   0.99136814  1.01010853  0.81391446
   0.99697054  0.81589768  0.67336277
   0.77649197  0.98484369  0.69816452
   0.75861135  0.67755340  0.98057447
   0.54155924  0.69784854  0.87142301
   0.78583656  0.79529946  0.61128726
   1.06066928  0.72869679  0.41989304
   0.84811772  0.30097223  0.07677080
   0.75888121  1.14288299  0.18356275
   0.42059535  0.06702366  0.66137081
   0.41257592  1.07718357  1.11857140
   0.54864876  1.34420530 -0.05449718
   0.41351502  1.22045690  0.04859414
   0.70101929  0.35846024  0.84175821
   0.56229592  0.65945920  0.70404324
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911599    0.097073   -0.168195
    -0.000000    9.626340    0.261158
    -0.000000    0.000000   13.958228
   Si   O    H 
    32    64    10
Direct configuration=  3385
   0.16947559  0.16754385  0.00841147
   0.36466172  0.12016733  0.39249644
   0.16268390  0.42345174  0.09967099
   0.39930768  0.35561304  0.24831855
   0.07460812  0.15105562  0.50002072
   0.40866078  0.08799940  0.86925178
   0.14588066  0.38755451  0.61225512
   0.37686258  0.37876605  0.75673977
   0.17945768  0.71771136  0.00553864
   0.39474259  0.59773051  0.38007185
   0.12045317  0.95171603  0.14684317
   0.35214084  0.87186195  0.26858931
   0.15528118  0.57662210  0.50098316
   0.38666730  0.66893574  0.83144086
   0.09418329  0.87270929  0.58904526
   0.38378257  0.91398629  0.68927711
   0.66873781  0.15175268  0.99888515
   0.85521839  0.15156635  0.34125437
   0.61300331  0.45913944  0.10023278
   0.86124784  0.37361303  0.17861476
   0.63486599  0.19565544  0.49006759
   0.92928652  0.12190199  0.88433863
   0.63637912  0.43815513  0.62680885
   0.83473541  0.39309663  0.79432990
   0.60215738  0.70256963 -0.01826631
   0.90914219  0.56967155  0.35165958
   0.59258928  0.92610722  0.13515171
   0.86289149  0.86349513  0.24605661
   0.67474670  0.68853782  0.47456264
   0.88489487  0.66811652  0.90308602
   0.68994299  0.91552038  0.60551638
   0.90320128  0.89788089  0.75178930
   0.19105561  0.10925407  0.12516674
   0.38103475  0.20256549  0.29153785
   0.17211490  0.34193274  0.00090161
   0.39261540  0.44608710  0.34577438
   0.54081801  0.39679230  0.19214300
   0.28095168  0.38153393  0.16989554
   0.22312861  0.12725967  0.45016772
  -0.01582437  0.21221109  0.41112364
   0.00640641 -0.00427686  0.52717450
   0.41235193  0.23482324  0.81866949
   0.07739048  0.23904502  0.60060668
   0.38000428  0.50507042  0.83327638
   0.49003460  0.39848736  0.67306035
   0.22540442  0.36648129  0.71349102
   0.27784216  0.10368742 -0.06181603
   0.02479453  0.12402035  0.97727384
   0.18010292  0.58557123  0.07997917
   0.38923123  0.71506284  0.28760745
   0.18917760  0.86630758  0.06114855
   0.38650834  0.95475955  0.36734207
   0.45083424  0.93979973  0.18422324
   0.18805713  0.88794154  0.24654524
   0.29070169  0.64999349  0.46278871
   0.06358691  0.54949636  0.39636583
   0.24810526  0.42432838  0.52670734
   0.35703505  0.73148176  0.72365214
   0.08547703  0.74143236  0.51399597
   0.39163130  0.95681380  0.80307151
   0.53497030  0.86013873  0.64209409
   0.24292415  0.91822154  0.62369027
   0.29732762  0.72962820 -0.07710531
   0.01922851  0.72490321  0.95481432
   0.66117717  0.08540621  0.11100914
   0.84785414  0.19892430  0.22013153
   0.61918258  0.32857279  0.00160897
   0.85331828  0.43700771  0.29782932
   0.02896946  0.40781685  0.16369034
   0.75490280  0.50550577  0.14027791
   0.71597445  0.20184001  0.38980271
   0.47664401  0.16675497  0.46235927
   0.70071605  0.08163913  0.56129704
   0.94352261  0.26921797  0.82555936
   0.63140915  0.34438335  0.53058950
   0.89767100  0.52868330  0.83823171
   1.04578633  0.51615707  0.59091783
   0.77455738  0.42507998  0.68762428
   0.77869422  0.09497078  0.92950981
   0.52617605  0.09577905  0.94515592
   0.53667851  0.57288510  0.03723643
   0.91022094  0.70741221  0.27632512
   0.58163354  0.85004063  0.03182591
   0.86128297  0.97250234  0.32960650
   0.95755411  0.92664941  0.15889350
   0.70069091  0.83772188  0.19588385
   0.80985326  0.61180909  0.43749898
   0.54497280  0.61645643  0.41756885
   0.64648534  0.61175708  0.58837180
   0.84238248  0.78029947  0.82022713
   0.67219915  0.85274567  0.48689415
   0.99142003  1.00806260  0.81319948
   0.99832954  0.81574429  0.67224720
   0.77700750  0.98573431  0.69853937
   0.76100101  0.67750951  0.98067439
   0.54146350  0.69780988  0.87164124
   0.78615751  0.80095936  0.61010442
   1.05812194  0.73752894  0.41095067
   0.84509043  0.29837336  0.08301690
   0.76766203  1.14466894  0.18781797
   0.41335704  0.07312128  0.65341492
   0.40857093  1.03236596  1.13902502
   0.55423437  1.34062787 -0.04881495
   0.40894338  1.25754191  0.03108057
   0.70463751  0.35483415  0.83663002
   0.56683947  0.63826878  0.70904308
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911460    0.098185   -0.171102
    -0.000000    9.625928    0.259903
    -0.000000    0.000000   13.958801
   Si   O    H 
    32    64    10
Direct configuration=  3386
   0.17074699  0.16785282  0.00794647
   0.36513864  0.12034598  0.39254399
   0.16236006  0.42581846  0.10047221
   0.39919105  0.35707930  0.24757911
   0.07491405  0.15118844  0.49975039
   0.40866051  0.08889037  0.86850466
   0.14614055  0.38822107  0.61109536
   0.37665524  0.37873139  0.75722356
   0.17809917  0.71733175  0.00453903
   0.39381786  0.59774211  0.38065143
   0.11914550  0.95248853  0.14618778
   0.35061990  0.87472929  0.26925653
   0.15717218  0.57469091  0.50190674
   0.38653468  0.66993153  0.83108129
   0.09199174  0.87385196  0.58808211
   0.38374000  0.91466174  0.68944067
   0.66851018  0.15209108  0.99943353
   0.85504467  0.15056793  0.34161405
   0.61374008  0.45980182  0.10064803
   0.86006618  0.37371038  0.17929361
   0.63395688  0.19527104  0.49048695
   0.92897636  0.12062645  0.88385134
   0.63495717  0.43984255  0.62553123
   0.83473001  0.39449982  0.79510740
   0.60116144  0.70249596 -0.01749611
   0.90818004  0.57113857  0.35151718
   0.59359552  0.92597014  0.13461762
   0.86298271  0.86484338  0.24669756
   0.67583454  0.68826698  0.47469739
   0.88475935  0.66902061  0.90355029
   0.68868017  0.91517100  0.60604945
   0.90141323  0.89664529  0.75160293
   0.19243203  0.10890928  0.12521175
   0.38264915  0.20337180  0.29080246
   0.17287107  0.34230341  0.00042052
   0.39176134  0.44639518  0.34479793
   0.53991004  0.39733035  0.19360033
   0.28102789  0.37922958  0.17063181
   0.22225392  0.12832541  0.45091530
  -0.01658349  0.21160016  0.41056839
   0.00720575 -0.00400794  0.52688739
   0.41211985  0.23585481  0.81726402
   0.07652768  0.24013360  0.59931216
   0.38010803  0.50450921  0.83419968
   0.48911216  0.39799777  0.67470591
   0.22586565  0.36636352  0.71439551
   0.27811981  0.10368121 -0.06182121
   0.02320708  0.12468848  0.97760295
   0.18085316  0.58673943  0.08085598
   0.38993084  0.71458679  0.28806925
   0.18824633  0.86671243  0.06007684
   0.38658108  0.95442353  0.36687671
   0.45071110  0.94135632  0.18463060
   0.18939147  0.88754845  0.24635320
   0.28998416  0.65146386  0.46282439
   0.06547698  0.55020316  0.39713082
   0.24872598  0.42409242  0.52689451
   0.35830308  0.73248627  0.72224335
   0.08334614  0.74075234  0.51304276
   0.39141706  0.95580777  0.80214380
   0.53589041  0.86082400  0.64225244
   0.24152734  0.91685457  0.62473965
   0.29456656  0.72891149 -0.07768770
   0.01802618  0.72302977  0.95526928
   0.65960589  0.08606191  0.11203339
   0.84867978  0.20134860  0.22029043
   0.62013067  0.32871043  0.00145059
   0.85349827  0.43471393  0.29662800
   0.02934045  0.40754658  0.16335557
   0.75467394  0.50479408  0.13908736
   0.71882962  0.20126166  0.39068554
   0.47444397  0.16645582  0.46305160
   0.69996312  0.08361141  0.56113351
   0.94291386  0.26620782  0.82584451
   0.62978190  0.34389332  0.53105319
   0.89693642  0.52954948  0.83768056
   1.04637664  0.51700506  0.59204968
   0.77443891  0.42515805  0.68753586
   0.78016192  0.09485556  0.92966349
   0.52632383  0.09691669  0.94528017
   0.53596171  0.57240971  0.03770838
   0.91001721  0.70891449  0.27536874
   0.58264281  0.85022526  0.03070185
   0.86099376  0.97436180  0.32923798
   0.95623896  0.92503936  0.15819998
   0.69762038  0.83899250  0.19685743
   0.81051929  0.61094653  0.43684458
   0.54501491  0.61678932  0.41865616
   0.64658787  0.61023779  0.58803270
   0.84252894  0.77973834  0.82005137
   0.67206223  0.85530544  0.48611900
   0.99135294  1.00630620  0.81260075
   1.00010389  0.81609791  0.67194867
   0.77786175  0.98612253  0.69954607
   0.76305888  0.67673754  0.98052707
   0.54080014  0.69755729  0.87215713
   0.78849537  0.80185314  0.61393425
   1.05696503  0.74328414  0.40897259
   0.84329914  0.29711632  0.08742146
   0.77544589  1.14569407  0.18637910
   0.40667750  0.07716906  0.64434738
   0.40592390  0.97945719  1.16334546
   0.55483084  1.34485834 -0.04676285
   0.39868754  1.28929866  0.01427537
   0.70897747  0.35180130  0.83178357
   0.57175726  0.62172063  0.71456442
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911062    0.099171   -0.173462
    -0.000000    9.625492    0.258090
    -0.000000    0.000000   13.959270
   Si   O    H 
    32    64    10
Direct configuration=  3387
   0.17178669  0.16810672  0.00764675
   0.36565203  0.12025982  0.39272286
   0.16149205  0.42766634  0.10111219
   0.39867020  0.35844268  0.24684925
   0.07532206  0.15079318  0.49965603
   0.40865971  0.08972528  0.86779072
   0.14590359  0.38855441  0.61022227
   0.37590580  0.37895555  0.75792268
   0.17681997  0.71702363  0.00308337
   0.39362567  0.59816828  0.38062001
   0.11792970  0.95315265  0.14541896
   0.34921357  0.87686531  0.27041832
   0.15822863  0.57186597  0.50285164
   0.38635170  0.67064610  0.83064053
   0.08996295  0.87411124  0.58697298
   0.38384600  0.91497611  0.68960336
   0.66733872  0.15251321  1.00006615
   0.85478094  0.14913118  0.34230544
   0.61441883  0.45999584  0.10122224
   0.85915500  0.37462872  0.17976869
   0.63313714  0.19440105  0.49090623
   0.92899065  0.11959560  0.88334852
   0.63417099  0.44178506  0.62443152
   0.83453152  0.39537563  0.79554524
   0.60040623  0.70269539 -0.01681229
   0.90784212  0.57267992  0.35145882
   0.59557151  0.92586888  0.13405491
   0.86302183  0.86600395  0.24689039
   0.67652166  0.68783555  0.47526973
   0.88460613  0.67031708  0.90362000
   0.68722193  0.91509145  0.60628001
   0.89958008  0.89553066  0.75132958
   0.19393454  0.10852362  0.12535908
   0.38435489  0.20447633  0.28977629
   0.17371852  0.34198811  0.00046421
   0.39076636  0.44579539  0.34364210
   0.53933020  0.39744593  0.19479536
   0.28194035  0.37742348  0.17122294
   0.22226526  0.12843496  0.45148728
  -0.01737576  0.21027002  0.40969542
   0.00845251 -0.00362544  0.52658637
   0.41296348  0.23771713  0.81620843
   0.07537471  0.24050692  0.59802415
   0.37965325  0.50348770  0.83513391
   0.48836797  0.39800845  0.67623654
   0.22616388  0.36678700  0.71508472
   0.27833062  0.10335472 -0.06183253
   0.02115953  0.12484439  0.97760000
   0.18123759  0.58842971  0.08126906
   0.39014778  0.71411318  0.28840278
   0.18667003  0.86711224  0.05863234
   0.38704522  0.95349347  0.36653749
   0.45517591  0.93841597  0.18755418
   0.19065813  0.88760253  0.24583579
   0.29031122  0.65387283  0.46261830
   0.06654249  0.55133752  0.39757218
   0.24958801  0.42332817  0.52642866
   0.35849820  0.73277731  0.72216954
   0.08017419  0.74053943  0.51174020
   0.39128470  0.95568418  0.80118562
   0.53611954  0.86181456  0.64286137
   0.24050866  0.91545878  0.62547837
   0.29215680  0.72794145 -0.07797200
   0.01737488  0.72101788  0.95587753
   0.65816558  0.08636607  0.11273341
   0.84963994  0.20236293  0.22106127
   0.62126803  0.33005750  0.00160503
   0.85314475  0.43258313  0.29465546
   0.02898798  0.40624503  0.16326561
   0.75435875  0.50376399  0.13795985
   0.72131830  0.20074375  0.39098565
   0.47328866  0.16629825  0.46387730
   0.69924940  0.08487972  0.56128458
   0.94293433  0.26304409  0.82633094
   0.62873212  0.34345581  0.53206803
   0.89619011  0.53042144  0.83762325
   1.04693847  0.51703995  0.59289312
   0.77474049  0.42529658  0.68734208
   0.78059408  0.09395728  0.93029996
   0.52682040  0.09797757  0.94548884
   0.53497325  0.57309319  0.03809816
   0.91064037  0.70995332  0.27497491
   0.58293394  0.85064596  0.02961978
   0.86057027  0.97636439  0.32878487
   0.95481286  0.92216082  0.15805580
   0.69526571  0.84023268  0.19765130
   0.81127771  0.61059307  0.43601713
   0.54494587  0.61789393  0.41979919
   0.64685809  0.60804080  0.58773132
   0.84272426  0.77918950  0.81950019
   0.67182845  0.85790281  0.48441424
   0.99077744  1.00455679  0.81175191
   1.00098065  0.81677547  0.67205146
   0.77980641  0.98652540  0.70066546
   0.76426636  0.67664994  0.98036576
   0.54100592  0.69738963  0.87272301
   0.79222642  0.79905308  0.61862811
   1.05962752  0.74639843  0.41289693
   0.83905106  0.29313915  0.08683996
   0.77554223  1.14691512  0.17959787
   0.39930631  0.07833265  0.63865494
   0.30805756  1.01684741  1.13620045
   0.54709329  1.35603589 -0.05030400
   0.38706479  1.31590064  0.00042452
   0.70845577  0.34672478  0.83054134
   0.57655811  0.60655271  0.71775464
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911253    0.099710   -0.175832
    -0.000000    9.625202    0.255796
    -0.000000    0.000000   13.959924
   Si   O    H 
    32    64    10
Direct configuration=  3388
   0.17302951  0.16772165  0.00725534
   0.36583595  0.11940939  0.39304614
   0.16049101  0.42977191  0.10171096
   0.39836199  0.35974333  0.24607073
   0.07556254  0.15048965  0.49907489
   0.40909639  0.09077851  0.86731242
   0.14580449  0.38938784  0.60972404
   0.37568190  0.37923195  0.75858944
   0.17541270  0.71710736  0.00152427
   0.39365568  0.59934541  0.38025054
   0.11657967  0.95300303  0.14478015
   0.34824832  0.87859076  0.27171613
   0.15832710  0.56996177  0.50360174
   0.38665974  0.67257719  0.82993833
   0.08834496  0.87452146  0.58573416
   0.38442291  0.91509619  0.68962887
   0.66612204  0.15283473  1.00071305
   0.85491183  0.14769129  0.34261623
   0.61514895  0.45968122  0.10156274
   0.85868401  0.37535584  0.18094427
   0.63266202  0.19309685  0.49096759
   0.92960730  0.11879426  0.88246509
   0.63305791  0.44375858  0.62310669
   0.83453973  0.39574932  0.79611533
   0.60039721  0.70249654 -0.01598186
   0.90795313  0.57397376  0.35072651
   0.59778109  0.92531888  0.13315070
   0.86310972  0.86617815  0.24673006
   0.67654323  0.68703029  0.47581433
   0.88392048  0.67184953  0.90370958
   0.68605051  0.91563691  0.60585489
   0.89755408  0.89427514  0.75070576
   0.19603107  0.10816489  0.12576698
   0.38631162  0.20531118  0.28909844
   0.17360468  0.34156727  0.00057071
   0.38837489  0.44502449  0.34288892
   0.53859341  0.39769011  0.19624634
   0.28249784  0.37612714  0.17210607
   0.22250039  0.12828445  0.45187461
  -0.01873832  0.21006012  0.40811948
   0.00924389 -0.00204986  0.52671669
   0.41369690  0.23968627  0.81483940
   0.07385404  0.24052804  0.59677896
   0.37910019  0.50209043  0.83596192
   0.48805906  0.39837147  0.67721330
   0.22642286  0.36739094  0.71581146
   0.27872195  0.10292373 -0.06196114
   0.01922412  0.12428152  0.97762456
   0.18099987  0.58969373  0.08133454
   0.38948892  0.71392790  0.28892978
   0.18562417  0.86697084  0.05757223
   0.38770138  0.95319665  0.36670764
   0.45861431  0.93590696  0.19070024
   0.19125405  0.88782894  0.24511324
   0.29112288  0.65634916  0.46163993
   0.06729667  0.55278522  0.39799673
   0.25101533  0.42267075  0.52558162
   0.35793983  0.73292721  0.72227367
   0.07692642  0.74018481  0.51018939
   0.39092126  0.95633470  0.80076457
   0.53627692  0.86296825  0.64358082
   0.23877871  0.91448628  0.62630020
   0.28959880  0.72727649 -0.07847955
   0.01711263  0.71994014  0.95684154
   0.65622552  0.08675894  0.11368026
   0.85040083  0.20264673  0.22280635
   0.62122148  0.33172383  0.00245433
   0.85281586  0.43119020  0.29286584
   0.02846001  0.40451409  0.16352792
   0.75630096  0.50337408  0.13634245
   0.72373131  0.20099585  0.39113305
   0.47334474  0.16580400  0.46427156
   0.69871184  0.08549999  0.56180733
   0.94271512  0.26063500  0.82623169
   0.62824436  0.34409005  0.53344242
   0.89683089  0.53155847  0.83781058
   1.04780628  0.51709250  0.59344426
   0.77555738  0.42541933  0.68717455
   0.78105826  0.09344189  0.93115807
   0.52738534  0.09851948  0.94591889
   0.53458593  0.57348233  0.03844180
   0.91102741  0.71117321  0.27472493
   0.58295257  0.85128914  0.02858694
   0.86084301  0.97882635  0.32911631
   0.95384494  0.92001477  0.15793159
   0.69447105  0.84177366  0.19907968
   0.81171397  0.60997749  0.43572896
   0.54589313  0.61960812  0.42089187
   0.64682259  0.60608907  0.58685629
   0.84230132  0.77881037  0.81869870
   0.67125103  0.85990202  0.48313351
   0.99051153  1.00288797  0.81074508
   1.00093317  0.81862578  0.67254411
   0.78148738  0.98710718  0.70169878
   0.76509477  0.67607613  0.97998064
   0.54171922  0.69706128  0.87331227
   0.79298915  0.79474426  0.61984872
   1.06800565  0.74970992  0.42425045
   0.83347151  0.29424019  0.08492761
   0.77596109  1.14502003  0.17142873
   0.39436790  0.07826712  0.63472611
   0.22380533  1.05879990  1.10747552
   0.54309138  1.36089813 -0.05067030
   0.37623623  1.33757513 -0.01359828
   0.70439076  0.33680070  0.83301474
   0.58157973  0.59443480  0.71853613
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911249    0.100648   -0.178264
    -0.000000    9.624911    0.253130
    -0.000000    0.000000   13.960810
   Si   O    H 
    32    64    10
Direct configuration=  3389
   0.17361935  0.16817159  0.00651770
   0.36513456  0.11862576  0.39305798
   0.15965741  0.43197525  0.10218712
   0.39841375  0.36046956  0.24561484
   0.07576864  0.15019304  0.49876001
   0.40955523  0.09106998  0.86728179
   0.14561506  0.38939911  0.60954302
   0.37585442  0.37992174  0.75934703
   0.17417952  0.71791895 -0.00006622
   0.39386419  0.60117161  0.37982286
   0.11503267  0.95191095  0.14436763
   0.34773131  0.88001528  0.27277564
   0.15823096  0.56823426  0.50392272
   0.38687657  0.67437409  0.82925875
   0.08729604  0.87556937  0.58480710
   0.38476407  0.91481284  0.68931730
   0.66576367  0.15286577  1.00135186
   0.85548121  0.14643066  0.34265962
   0.61548250  0.45914269  0.10218226
   0.85912379  0.37676065  0.18195894
   0.63240814  0.19227566  0.49081150
   0.93040320  0.11789322  0.88180674
   0.63208803  0.44584370  0.62221522
   0.83402389  0.39564478  0.79682026
   0.60102397  0.70255200 -0.01546399
   0.90781800  0.57451178  0.34975120
   0.59960135  0.92447309  0.13199561
   0.86228320  0.86556180  0.24643885
   0.67654519  0.68664920  0.47625549
   0.88300444  0.67331007  0.90383656
   0.68525973  0.91615565  0.60543338
   0.89629474  0.89270897  0.74995076
   0.19350251  0.11368874  0.12892425
   0.38687690  0.20511478  0.28886672
   0.17319231  0.34065060  0.00070751
   0.38617926  0.44462862  0.34240041
   0.53763812  0.39753774  0.19707326
   0.28246753  0.37491349  0.17220440
   0.22253056  0.12816565  0.45219225
  -0.02067490  0.20991159  0.40707758
   0.01028358 -0.00096733  0.52680182
   0.41471589  0.24156926  0.81363509
   0.07196461  0.23950224  0.59574540
   0.37908601  0.50111228  0.83640540
   0.48778600  0.39880252  0.67820227
   0.22612239  0.36799869  0.71591356
   0.27898136  0.10196177 -0.06179642
   0.01853021  0.12305339  0.97830121
   0.18069858  0.59141655  0.08182602
   0.38873287  0.71426320  0.28912149
   0.18430310  0.86690149  0.05628882
   0.38763496  0.95344800  0.36783888
   0.46169162  0.93321178  0.19362599
   0.19117676  0.88772697  0.24406719
   0.29207847  0.65878137  0.46045416
   0.06806368  0.55416775  0.39828154
   0.25224911  0.42132024  0.52438969
   0.35883741  0.73351712  0.72278632
   0.07425810  0.73967260  0.50855791
   0.39010222  0.95745781  0.80088225
   0.53561870  0.86481852  0.64480840
   0.23692826  0.91338800  0.62720549
   0.28743411  0.72748300 -0.07902011
   0.01730293  0.71890303  0.95794353
   0.65484552  0.08711173  0.11444430
   0.85168085  0.20273622  0.22389287
   0.62007677  0.33356483  0.00341647
   0.85283734  0.43016915  0.29209516
   0.02709438  0.40264492  0.16316019
   0.75881697  0.50339720  0.13463334
   0.72584198  0.20081352  0.39112595
   0.47389290  0.16519005  0.46433570
   0.69874289  0.08596271  0.56256510
   0.94217122  0.25953797  0.82631076
   0.62893105  0.34473958  0.53477455
   0.89747485  0.53232711  0.83827233
   1.04868815  0.51720575  0.59437071
   0.77641059  0.42630238  0.68677579
   0.78123049  0.09312008  0.93205017
   0.52896552  0.09919010  0.94627915
   0.53368776  0.57346557  0.03885869
   0.91084921  0.71170438  0.27431451
   0.58266160  0.85199251  0.02771401
   0.86130371  0.98098464  0.32907665
   0.95355467  0.91886796  0.15810362
   0.69456308  0.84241646  0.20082933
   0.81217507  0.60899398  0.43614874
   0.54775007  0.62231985  0.42200054
   0.64651684  0.60422953  0.58579659
   0.84165703  0.77840512  0.81820541
   0.67049551  0.86066073  0.48174314
   0.99035962  1.00176460  0.80972046
   1.00059864  0.82112077  0.67342853
   0.78192491  0.98763128  0.70205720
   0.76589330  0.67501265  0.98007244
   0.54175477  0.69723189  0.87415541
   0.79083823  0.79323024  0.62127595
   1.07663584  0.75231398  0.44285983
   0.82831860  0.29926908  0.07974856
   0.77508194  1.14577009  0.16570761
   0.39239378  0.07401325  0.63451057
   0.21152773  0.99672364  1.04307711
   0.54335881  1.36495495 -0.04748154
   0.36305894  1.35566367 -0.03072101
   0.70104314  0.32858001  0.83720701
   0.58290703  0.58394321  0.72009335
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911225    0.101197   -0.181212
    -0.000000    9.624526    0.250083
    -0.000000    0.000000   13.961918
   Si   O    H 
    32    64    10
Direct configuration=  3390
   0.17439654  0.16885488  0.00555218
   0.36432876  0.11714191  0.39255532
   0.15848819  0.43394119  0.10291525
   0.39836585  0.36153234  0.24529464
   0.07608085  0.14999113  0.49861004
   0.40929344  0.09137446  0.86691115
   0.14502412  0.38934050  0.60974353
   0.37604303  0.38012726  0.75963373
   0.17252505  0.71845093 -0.00160686
   0.39461533  0.60248110  0.37944848
   0.11405620  0.95136815  0.14409696
   0.34796934  0.88117294  0.27323944
   0.15821792  0.56668997  0.50382005
   0.38741565  0.67590036  0.82871335
   0.08584652  0.87731001  0.58426089
   0.38566922  0.91479114  0.68837912
   0.66546083  0.15221751  1.00222770
   0.85643070  0.14537939  0.34271907
   0.61544361  0.45838089  0.10287779
   0.85958260  0.37796520  0.18287286
   0.63284957  0.19192340  0.49097672
   0.93102147  0.11684143  0.88117303
   0.63097531  0.44818781  0.62181019
   0.83294680  0.39513883  0.79776803
   0.60166764  0.70246906 -0.01537906
   0.90803524  0.57502186  0.34847768
   0.60082270  0.92365391  0.13093042
   0.86103744  0.86422286  0.24639315
   0.67663907  0.68592700  0.47737898
   0.88178049  0.67441704  0.90352544
   0.68504118  0.91678007  0.60557601
   0.89565279  0.89140883  0.74878589
   0.18996606  0.11834565  0.13140811
   0.38695294  0.20368770  0.28904600
   0.17284246  0.33988011  0.00119865
   0.38402109  0.44443488  0.34233983
   0.53753039  0.39736730  0.19748094
   0.28210052  0.37363126  0.17125705
   0.22287957  0.12827465  0.45215924
  -0.02236659  0.21034098  0.40572374
   0.01233012  0.00113610  0.52706536
   0.41578773  0.24261770  0.81234354
   0.07079877  0.23856104  0.59435812
   0.37928621  0.50049667  0.83683844
   0.48859332  0.39945548  0.67919093
   0.22588726  0.36885447  0.71599704
   0.27940482  0.10020491 -0.06155255
   0.01860735  0.12222606  0.97883101
   0.18167064  0.59402380  0.08180480
   0.38724631  0.71451419  0.28912558
   0.18294988  0.86711937  0.05511847
   0.38821314  0.95389030  0.36953453
   0.46398841  0.93143763  0.19563567
   0.19051567  0.88885882  0.24301948
   0.29303830  0.66032898  0.45948577
   0.06799111  0.55488914  0.39873007
   0.25312148  0.42000112  0.52336669
   0.35947018  0.73346015  0.72360878
   0.07211719  0.73878723  0.50726427
   0.38842158  0.95872475  0.80117753
   0.53477974  0.86547415  0.64584055
   0.23498242  0.91268218  0.62797934
   0.28574108  0.72764359 -0.07992391
   0.01793967  0.71786110  0.95930349
   0.65461617  0.08704464  0.11453055
   0.85283624  0.20257977  0.22524659
   0.61934705  0.33598716  0.00427194
   0.85295671  0.42974640  0.29262587
   0.02566368  0.40033803  0.16274509
   0.76089409  0.50365808  0.13308102
   0.72676083  0.19982399  0.39118696
   0.47624251  0.16414353  0.46511258
   0.69905537  0.08579834  0.56297050
   0.94188218  0.25957586  0.82600782
   0.62967975  0.34522911  0.53601926
   0.89793268  0.53322388  0.83894617
   1.04941971  0.51765820  0.59537975
   0.77659687  0.42690358  0.68680908
   0.78185103  0.09242604  0.93301861
   0.52981183  0.09906479  0.94694070
   0.53280704  0.57282760  0.03944432
   0.91154305  0.71152312  0.27450901
   0.58223254  0.85260600  0.02721392
   0.86120853  0.98375144  0.32875443
   0.95321960  0.91799077  0.15827681
   0.69639358  0.84278881  0.20331880
   0.81208697  0.60929927  0.43660254
   0.54903182  0.62378944  0.42356913
   0.64664887  0.60214932  0.58428710
   0.84102621  0.77755296  0.81808811
   0.67022862  0.86150181  0.48014060
   0.98917409  1.00095600  0.80925069
   1.00060399  0.82404881  0.67451390
   0.78179663  0.98803033  0.70307705
   0.76698743  0.67341066  0.98084210
   0.54178736  0.69758821  0.87470665
   0.78704722  0.79247948  0.62129585
   1.08417726  0.76074637  0.45156860
   0.82403397  0.30709809  0.07645325
   0.77366429  1.15076090  0.16061835
   0.39423185  0.06530147  0.63642464
   0.20186542  0.93114440  0.98227862
   0.54370988  1.36723739 -0.04094841
   0.35169038  1.37125449 -0.04871934
   0.70213618  0.32485261  0.84036772
   0.58528568  0.57971500  0.72053460
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910878    0.102263   -0.184683
    -0.000000    9.624213    0.247260
    -0.000000    0.000000   13.963124
   Si   O    H 
    32    64    10
Direct configuration=  3391
   0.17491811  0.16941801  0.00519862
   0.36338715  0.11660074  0.39234001
   0.15793707  0.43537076  0.10395524
   0.39800084  0.36195090  0.24533755
   0.07581081  0.14992053  0.49794697
   0.40906355  0.09127081  0.86675067
   0.14495646  0.38892293  0.61045436
   0.37605272  0.38019172  0.75969033
   0.17176974  0.71865071 -0.00325297
   0.39551138  0.60378777  0.37922552
   0.11296762  0.95151548  0.14366702
   0.34814423  0.88163742  0.27359745
   0.15787656  0.56561719  0.50364604
   0.38788819  0.67655416  0.82856044
   0.08447353  0.87878437  0.58372654
   0.38605964  0.91434072  0.68730535
   0.66562853  0.15174456  1.00249043
   0.85784599  0.14483286  0.34262179
   0.61535783  0.45738611  0.10321988
   0.86007072  0.37901651  0.18352815
   0.63376170  0.19181676  0.49121640
   0.93101191  0.11576965  0.88067605
   0.63029633  0.45032342  0.62205982
   0.83192962  0.39431775  0.79865238
   0.60252292  0.70227450 -0.01552012
   0.90815352  0.57529709  0.34765330
   0.60123701  0.92301508  0.12974773
   0.86004261  0.86369031  0.24650627
   0.67724545  0.68529309  0.47874738
   0.88043710  0.67490956  0.90322129
   0.68532302  0.91713182  0.60594746
   0.89496426  0.89048644  0.74801209
   0.18628206  0.12239855  0.13341340
   0.38694257  0.20185034  0.28944016
   0.17266889  0.33912958  0.00141216
   0.38261645  0.44440642  0.34220971
   0.53869114  0.39710379  0.19731174
   0.28143064  0.37216202  0.17024343
   0.22306755  0.12782931  0.45205224
  -0.02351631  0.21094759  0.40378266
   0.01423396  0.00303995  0.52738795
   0.41679579  0.24318185  0.81070964
   0.07002270  0.23695844  0.59293800
   0.37911795  0.50001035  0.83791134
   0.49029614  0.40094762  0.67977834
   0.22538530  0.37047778  0.71637595
   0.27980318  0.09893068 -0.06169429
   0.01931138  0.12130796  0.97928640
   0.18302527  0.59703029  0.08159258
   0.38631231  0.71456901  0.28911213
   0.18203000  0.86656446  0.05346638
   0.38907112  0.95473987  0.37121364
   0.46631258  0.92987374  0.19708493
   0.18936937  0.89034344  0.24175626
   0.29354257  0.66142624  0.45867753
   0.06725259  0.55633788  0.39843373
   0.25331193  0.41765306  0.52300215
   0.36031529  0.73323888  0.72424976
   0.06982886  0.73783551  0.50828296
   0.38731813  0.96010654  0.80157881
   0.53428990  0.86668958  0.64700866
   0.23296969  0.91283730  0.62824567
   0.28407445  0.72719354 -0.08140764
   0.01894103  0.71694465  0.96042478
   0.65556879  0.08766733  0.11468446
   0.85385008  0.20213916  0.22649772
   0.61807000  0.33865011  0.00533093
   0.85285268  0.43041957  0.29394818
   0.02361235  0.39772063  0.16174909
   0.76326011  0.50422334  0.13171736
   0.72658240  0.19929164  0.39088338
   0.47841070  0.16360859  0.46563171
   0.69994394  0.08535211  0.56335266
   0.94093982  0.26006898  0.82587530
   0.62917628  0.34544450  0.53695069
   0.89833437  0.53405414  0.83983926
   1.04928457  0.51742196  0.59590703
   0.77734542  0.42690173  0.68686400
   0.78256537  0.09064689  0.93319279
   0.53187812  0.09927928  0.94680504
   0.53232337  0.57204894  0.04019554
   0.91311938  0.71096760  0.27504348
   0.58217897  0.85247214  0.02698813
   0.86156241  0.98578335  0.32872129
   0.95287070  0.91717725  0.15783289
   0.69783046  0.84152310  0.20582658
   0.81156743  0.60897010  0.43696906
   0.55024503  0.62453482  0.42490137
   0.64670767  0.60063614  0.58292765
   0.83996645  0.77741804  0.81832142
   0.66983473  0.86071660  0.47873716
   0.98745864  1.00077609  0.80863922
   1.00043796  0.82591110  0.67498266
   0.78169603  0.98796505  0.70410174
   0.76786030  0.67172876  0.98137722
   0.54232926  0.69919947  0.87536047
   0.78432213  0.79038172  0.61705022
   1.09860891  0.78226372  0.42260937
   0.82403260  0.31115508  0.08012246
   0.77434479  1.15385887  0.16169534
   0.39498806  0.05550021  0.64055384
   0.19475044  0.87134980  0.93028745
   0.54397550  1.36860364 -0.03553952
   0.34064542  1.38898263 -0.06301028
   0.70793217  0.32645667  0.84229052
   0.58779189  0.57844664  0.72058541
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910594    0.102989   -0.188307
    -0.000000    9.623692    0.244242
    -0.000000    0.000000   13.964467
   Si   O    H 
    32    64    10
Direct configuration=  3392
   0.17555905  0.17026661  0.00531933
   0.36251513  0.11639540  0.39164796
   0.15789253  0.43599866  0.10486085
   0.39775815  0.36235632  0.24517319
   0.07559976  0.14972221  0.49707375
   0.40888361  0.09071768  0.86656796
   0.14489699  0.38793278  0.61141237
   0.37652327  0.38085687  0.75929222
   0.17099280  0.71884714 -0.00432469
   0.39693802  0.60547799  0.37864921
   0.11226384  0.95195800  0.14324935
   0.34904148  0.88177454  0.27390113
   0.15770428  0.56451109  0.50328890
   0.38797845  0.67688694  0.82885050
   0.08325136  0.87968714  0.58346432
   0.38656646  0.91347099  0.68655856
   0.66567597  0.15141449  1.00242782
   0.85940908  0.14349937  0.34280963
   0.61545617  0.45691349  0.10386207
   0.86040227  0.38021366  0.18438370
   0.63445061  0.19233371  0.49118056
   0.93052418  0.11438570  0.87977552
   0.62951864  0.45246123  0.62256759
   0.83110694  0.39266079  0.79904140
   0.60305344  0.70201169 -0.01596030
   0.90891359  0.57526968  0.34705970
   0.60097984  0.92246587  0.12899565
   0.85885060  0.86238998  0.24638018
   0.67724892  0.68519158  0.47995680
   0.87956934  0.67561520  0.90322464
   0.68569274  0.91744539  0.60644794
   0.89448076  0.88965733  0.74711313
   0.18250881  0.12546113  0.13467242
   0.38717227  0.19951830  0.28953988
   0.17271790  0.33873238  0.00114170
   0.38091178  0.44473985  0.34281939
   0.54068379  0.39718528  0.19641071
   0.27991249  0.37099933  0.16823823
   0.22436444  0.12758203  0.45191567
  -0.02454949  0.21112077  0.40232697
   0.01545565  0.00461635  0.52734853
   0.41833437  0.24232626  0.80955432
   0.07003268  0.23539333  0.59133841
   0.37915603  0.49905480  0.83919991
   0.49266376  0.40212766  0.68072853
   0.22461839  0.37147779  0.71651511
   0.28031452  0.09742568 -0.06204395
   0.02003804  0.11973378  0.97980984
   0.18516379  0.59941718  0.08087853
   0.38463422  0.71503345  0.28917448
   0.18099403  0.86616265  0.05176314
   0.38995192  0.95581932  0.37293955
   0.46808747  0.92855552  0.19778743
   0.18908178  0.89166021  0.24070363
   0.29413613  0.66256863  0.45834766
   0.06576991  0.55740482  0.39778861
   0.25360078  0.41540242  0.52296807
   0.36106919  0.73242624  0.72470894
   0.06761212  0.73825736  0.50887573
   0.38601673  0.96194933  0.80213173
   0.53388746  0.86730602  0.64828554
   0.23140927  0.91338110  0.62809192
   0.28209350  0.72674965 -0.08269711
   0.01910024  0.71563822  0.96163018
   0.65719480  0.08923967  0.11452787
   0.85460529  0.20210823  0.22760321
   0.61822981  0.34042973  0.00606538
   0.85214595  0.43165300  0.29490127
   0.02219167  0.39488700  0.16146245
   0.76415498  0.50409460  0.13072262
   0.72639140  0.19931644  0.39121420
   0.48120305  0.16324553  0.46619645
   0.70056582  0.08477186  0.56410520
   0.93926291  0.26193192  0.82628157
   0.62828282  0.34474052  0.53682030
   0.89919452  0.53408191  0.84074414
   1.04945287  0.51728852  0.59645298
   0.77763601  0.42614788  0.68773540
   0.78242295  0.08854476  0.93320509
   0.53355910  0.09952740  0.94674449
   0.53143721  0.57210584  0.04025487
   0.91400710  0.71061351  0.27532983
   0.58245989  0.85257963  0.02678344
   0.86154750  0.98764143  0.32795826
   0.95255182  0.91583532  0.15768681
   0.70066701  0.84040481  0.20792846
   0.81067744  0.60951617  0.43769309
   0.55158748  0.62435397  0.42592765
   0.64651260  0.60039075  0.58184279
   0.83877057  0.77633667  0.81830058
   0.66983333  0.85916847  0.47827468
   0.98642157  1.00056926  0.80860957
   0.99993540  0.82734574  0.67504254
   0.78142145  0.98759362  0.70510413
   0.76794520  0.67124979  0.98262350
   0.54287109  0.70008083  0.87615905
   0.77909969  0.79138108  0.61617852
   1.10866848  0.79951332  0.40303673
   0.82655582  0.30985207  0.08477501
   0.77638885  1.15415058  0.17008240
   0.39596275  0.05200179  0.64285770
   0.18842785  0.82291201  0.87929867
   0.54334937  1.37306660 -0.03912213
   0.33056759  1.40549732 -0.07496376
   0.71429616  0.32918385  0.84468823
   0.58683574  0.57986456  0.71897506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910002    0.103323   -0.191730
    -0.000000    9.623543    0.241055
    -0.000000    0.000000   13.965936
   Si   O    H 
    32    64    10
Direct configuration=  3393
   0.17532994  0.17080614  0.00572245
   0.36230165  0.11666832  0.39136715
   0.15817811  0.43647917  0.10567073
   0.39727057  0.36227521  0.24540606
   0.07529629  0.14944601  0.49572293
   0.40930759  0.09049898  0.86682541
   0.14508705  0.38608522  0.61217331
   0.37687062  0.38162909  0.75917769
   0.16978351  0.72008886 -0.00484493
   0.39926039  0.60745267  0.37806013
   0.11218016  0.95261514  0.14322838
   0.34974716  0.88151954  0.27450800
   0.15795371  0.56371739  0.50249098
   0.38858869  0.67782625  0.82912535
   0.08263612  0.88018563  0.58287151
   0.38599322  0.91177383  0.68579737
   0.66576767  0.15171906  1.00205216
   0.86015057  0.14273754  0.34340095
   0.61506143  0.45667772  0.10449459
   0.86088452  0.38104952  0.18473424
   0.63560670  0.19345365  0.49107664
   0.92990458  0.11346244  0.87905465
   0.62875277  0.45407065  0.62315580
   0.83050729  0.39063906  0.79940728
   0.60407670  0.70127027 -0.01681177
   0.90934739  0.57523836  0.34704540
   0.60037793  0.92169274  0.12901505
   0.85743165  0.86151835  0.24677693
   0.67741843  0.68409088  0.48108335
   0.87923638  0.67638608  0.90343094
   0.68563179  0.91843937  0.60680730
   0.89412298  0.88877012  0.74620964
   0.17801185  0.12742313  0.13594500
   0.38691126  0.19746820  0.28939429
   0.17218478  0.33851317  0.00133556
   0.37833897  0.44544492  0.34306333
   0.54287789  0.39706489  0.19515842
   0.27954850  0.37090244  0.16610757
   0.22606539  0.12736504  0.45126699
  -0.02457098  0.21125149  0.40126222
   0.01640549  0.00578266  0.52764533
   0.42010099  0.24095591  0.80913784
   0.07084979  0.23452247  0.58956630
   0.37876537  0.49894656  0.84042952
   0.49447074  0.40372561  0.68134470
   0.22380445  0.37257784  0.71652671
   0.28067476  0.09635607 -0.06205371
   0.02042599  0.11856761  0.98036909
   0.18696443  0.60081555  0.07995976
   0.38330175  0.71566096  0.28915207
   0.17914481  0.86547430  0.04982580
   0.39107941  0.95672866  0.37477714
   0.46916108  0.92696189  0.19850874
   0.18912255  0.89167378  0.23950114
   0.29474984  0.66333937  0.45825474
   0.06462465  0.55745905  0.39648590
   0.25444685  0.41387817  0.52298146
   0.36137654  0.73161010  0.72534835
   0.06628883  0.73976809  0.50871030
   0.38484780  0.96304553  0.80306659
   0.53452213  0.86819160  0.64920439
   0.22963494  0.91371238  0.62786369
   0.27984200  0.72702417 -0.08454711
   0.01913420  0.71519525  0.96256751
   0.65874020  0.09126986  0.11432047
   0.85541039  0.20121353  0.22769180
   0.61906455  0.34209375  0.00701676
   0.85135735  0.43403932  0.29599620
   0.02062889  0.39259200  0.16142403
   0.76565957  0.50516382  0.12981738
   0.72562866  0.19870422  0.39172844
   0.48400737  0.16284570  0.46603717
   0.70069422  0.08308956  0.56531003
   0.93713812  0.26318212  0.82693048
   0.62733929  0.34447669  0.53640974
   0.89937998  0.53426983  0.84185943
   1.05000659  0.51745183  0.59665694
   0.77751942  0.42540228  0.68819772
   0.78199568  0.08617404  0.93298625
   0.53596179  0.09882894  0.94634295
   0.53085239  0.57230076  0.04070757
   0.91548564  0.70989523  0.27609601
   0.58202009  0.85269166  0.02688041
   0.86133448  0.98877345  0.32706269
   0.95195309  0.91518230  0.15753664
   0.70366117  0.83966423  0.20985366
   0.80995317  0.60975665  0.43821891
   0.55216133  0.62453970  0.42697103
   0.64536590  0.60157612  0.58061305
   0.83711929  0.77629896  0.81825642
   0.67026979  0.85703128  0.47805011
   0.98613238  1.00085474  0.80882933
   0.99853527  0.82815336  0.67505670
   0.78108370  0.98727386  0.70608935
   0.76764771  0.67107608  0.98437454
   0.54248621  0.70108808  0.87638692
   0.77466714  0.79036669  0.61250257
   1.11748615  0.81029838  0.39545932
   0.82997604  0.30624542  0.08869917
   0.78253724  1.15594156  0.18235072
   0.40042219  0.05621349  0.64393532
   0.18547409  0.77646797  0.82980276
   0.54208806  1.37177395 -0.04272594
   0.32558563  1.42562065 -0.08898331
   0.71514867  0.33911071  0.84655849
   0.58674427  0.58411409  0.72077116
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909639    0.103904   -0.194804
    -0.000000    9.623761    0.237965
    -0.000000    0.000000   13.967792
   Si   O    H 
    32    64    10
Direct configuration=  3394
   0.17500312  0.17096943  0.00639073
   0.36235040  0.11706663  0.39119656
   0.15857902  0.43704620  0.10612401
   0.39642290  0.36184631  0.24578643
   0.07553522  0.14939047  0.49405707
   0.40989703  0.09094093  0.86708903
   0.14515807  0.38341630  0.61294568
   0.37704435  0.38217280  0.75850155
   0.16827191  0.72120305 -0.00477433
   0.40173180  0.60961556  0.37751754
   0.11254854  0.95394428  0.14286682
   0.35047238  0.88105948  0.27523718
   0.15830045  0.56404698  0.50121213
   0.38927434  0.67847593  0.82954583
   0.08227937  0.88098541  0.58264407
   0.38538459  0.91027829  0.68508164
   0.66613985  0.15177254  1.00215555
   0.86047144  0.14247494  0.34423068
   0.61492830  0.45665987  0.10447102
   0.86134647  0.38162105  0.18517135
   0.63654698  0.19479475  0.49123341
   0.92967244  0.11213042  0.87836061
   0.62805492  0.45563351  0.62372431
   0.83029598  0.38880317  0.80005849
   0.60512501  0.70012403 -0.01755831
   0.91020963  0.57498669  0.34761913
   0.60018839  0.92134636  0.12992207
   0.85610723  0.86043166  0.24735719
   0.67679716  0.68284228  0.48224677
   0.87951883  0.67689351  0.90352446
   0.68590860  0.91935420  0.60762951
   0.89384154  0.88843311  0.74547448
   0.17368603  0.12793971  0.13632275
   0.38626216  0.19444040  0.28869866
   0.17276340  0.33997998  0.00130470
   0.37536069  0.44613703  0.34321776
   0.54446207  0.39651869  0.19361591
   0.27952730  0.37060006  0.16445795
   0.22852459  0.12747813  0.45079795
  -0.02307235  0.21153269  0.40035784
   0.01736541  0.00613963  0.52818934
   0.42201126  0.24038658  0.80861137
   0.07189174  0.23420869  0.58893559
   0.37741921  0.49927056  0.84173279
   0.49599924  0.40554013  0.68103092
   0.22351196  0.37282307  0.71715302
   0.28088928  0.09484916 -0.06206865
   0.02130198  0.11811205  0.98095222
   0.18836878  0.60195994  0.07875149
   0.38225415  0.71677446  0.28843415
   0.17816366  0.86495678  0.04814704
   0.39275796  0.95734329  0.37532788
   0.46957601  0.92603040  0.19869583
   0.18950647  0.89206035  0.23884935
   0.29502710  0.66357013  0.45786787
   0.06340403  0.55778727  0.39481492
   0.25452340  0.41216714  0.52332675
   0.36192176  0.73104611  0.72602110
   0.06625222  0.74211478  0.50845400
   0.38384785  0.96354539  0.80401681
   0.53580785  0.86936705  0.64975461
   0.22882909  0.91353699  0.62732737
   0.27827367  0.72718560 -0.08644687
   0.01876998  0.71486103  0.96366031
   0.66024008  0.09311291  0.11393912
   0.85648104  0.20001744  0.22787032
   0.61959410  0.34316594  0.00799379
   0.85067732  0.43594118  0.29661736
   0.01928478  0.39048286  0.16077125
   0.76614612  0.50616239  0.12893973
   0.72510328  0.19891741  0.39185005
   0.48540038  0.16173707  0.46652441
   0.70121723  0.08113778  0.56705689
   0.93519378  0.26474908  0.82752503
   0.62659727  0.34443748  0.53589411
   0.89871718  0.53462562  0.84307605
   1.05048590  0.51799079  0.59643110
   0.77703280  0.42341975  0.68856247
   0.78084492  0.08426114  0.93266463
   0.53840139  0.09776695  0.94638805
   0.52941559  0.57318998  0.04154298
   0.91690740  0.70952772  0.27688950
   0.58135878  0.85231731  0.02713564
   0.86178421  0.98843411  0.32571701
   0.95153954  0.91541370  0.15704686
   0.70633769  0.83947970  0.21100814
   0.81013603  0.61072579  0.43841886
   0.55217294  0.62466178  0.42734132
   0.64485581  0.60377462  0.57953754
   0.83573052  0.77584535  0.81860555
   0.67035104  0.85602605  0.47803394
   0.98591946  1.00108099  0.80884564
   0.99801086  0.82807968  0.67466053
   0.78002662  0.98669845  0.70699537
   0.76762055  0.67119715  0.98586746
   0.54213084  0.70192183  0.87622090
   0.76934909  0.78971587  0.60861931
   1.12204224  0.81536897  0.39515129
   0.83324495  0.30055279  0.08990586
   0.79342223  1.16012389  0.19870412
   0.40643563  0.06295662  0.64389595
   0.18228892  0.73598465  0.78579895
   0.54730081  1.36582177 -0.04066067
   0.32158619  1.44828077 -0.10472317
   0.71130688  0.34555835  0.85142314
   0.58733603  0.58861271  0.72215524
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909381    0.103880   -0.197611
    -0.000000    9.624330    0.234826
    -0.000000    0.000000   13.969637
   Si   O    H 
    32    64    10
Direct configuration=  3395
   0.17437565  0.17074886  0.00721253
   0.36288234  0.11759430  0.39116308
   0.15792666  0.43766662  0.10640611
   0.39500078  0.36138331  0.24623509
   0.07525996  0.14987265  0.49204650
   0.41024506  0.09189134  0.86772472
   0.14593944  0.38119495  0.61352307
   0.37730941  0.38166893  0.75690004
   0.16725345  0.72247571 -0.00402637
   0.40405816  0.61168874  0.37716224
   0.11272385  0.95535585  0.14223368
   0.35195620  0.88067473  0.27584720
   0.15817481  0.56521956  0.49941748
   0.38953711  0.67964859  0.83043389
   0.08232814  0.88056689  0.58232521
   0.38440368  0.90888670  0.68445548
   0.66578636  0.15184939  1.00224331
   0.86029284  0.14283228  0.34480592
   0.61511184  0.45706120  0.10394188
   0.86197432  0.38167928  0.18522673
   0.63845643  0.19642740  0.49132950
   0.92977508  0.11128395  0.87805580
   0.62721242  0.45640936  0.62416068
   0.82996706  0.38775326  0.80078375
   0.60645918  0.69900404 -0.01815915
   0.91149168  0.57439924  0.34880577
   0.59984333  0.92152061  0.13109376
   0.85520034  0.85954939  0.24777428
   0.67671360  0.68169338  0.48269212
   0.87991480  0.67721784  0.90365694
   0.68538935  0.92039443  0.60862779
   0.89387564  0.88844266  0.74510570
   0.16959555  0.12705984  0.13638134
   0.38681172  0.19308378  0.28830236
   0.17350993  0.34155212  0.00132755
   0.37309915  0.44713574  0.34272667
   0.54545601  0.39597418  0.19227839
   0.28035739  0.36989460  0.16345208
   0.23054845  0.12759150  0.45030318
  -0.02118725  0.21199516  0.39961815
   0.01708744  0.00647612  0.52772351
   0.42357310  0.24016674  0.80780834
   0.07285692  0.23355736  0.58849254
   0.37591766  0.49857378  0.84318910
   0.49649772  0.40773479  0.68054720
   0.22338579  0.37291068  0.71766473
   0.28128618  0.09344122 -0.06197657
   0.02236252  0.11777211  0.98177989
   0.19058955  0.60191367  0.07773415
   0.38119140  0.71788906  0.28739165
   0.17693570  0.86596160  0.04706634
   0.39389934  0.95797082  0.37575627
   0.47003423  0.92602825  0.19824844
   0.18958555  0.89231688  0.23855577
   0.29527171  0.66344583  0.45704693
   0.06327177  0.55711303  0.39292949
   0.25406058  0.41066441  0.52357286
   0.36160282  0.72993606  0.72630567
   0.06642168  0.74401813  0.50812617
   0.38276585  0.96396370  0.80486557
   0.53757669  0.86971757  0.64993088
   0.22769626  0.91318034  0.62683673
   0.27687495  0.72901233 -0.08860342
   0.01826073  0.71441296  0.96424738
   0.66227246  0.09484793  0.11393218
   0.85896485  0.20087976  0.22899668
   0.61991378  0.34333397  0.00898133
   0.85045141  0.43815288  0.29701262
   0.01806766  0.38920469  0.16033022
   0.76659859  0.50779926  0.12842608
   0.72469540  0.19864784  0.39163815
   0.48613669  0.16031561  0.46615220
   0.70138580  0.07981978  0.56851757
   0.93353346  0.26602741  0.82802872
   0.62573114  0.34598723  0.53569386
   0.89800116  0.53446442  0.84418672
   1.05160439  0.51836524  0.59658059
   0.77628558  0.42131579  0.68844841
   0.77947892  0.08326188  0.93235314
   0.54031225  0.09635821  0.94652464
   0.52829459  0.57465186  0.04210340
   0.91816158  0.70954226  0.27791668
   0.58068682  0.85221289  0.02725319
   0.86176864  0.98739089  0.32447867
   0.95114974  0.91516899  0.15653457
   0.70918838  0.83952738  0.21148685
   0.81086593  0.61165505  0.43890339
   0.55130986  0.62421292  0.42694745
   0.64459085  0.60592583  0.57945973
   0.83431137  0.77521162  0.81862272
   0.67076885  0.85438270  0.47880684
   0.98589358  1.00054571  0.80920902
   0.99811927  0.82890668  0.67451471
   0.77843013  0.98548049  0.70759366
   0.76782079  0.67164430  0.98712178
   0.54136120  0.70231698  0.87596900
   0.76718112  0.78837175  0.60683335
   1.12139862  0.81559619  0.39998688
   0.83403999  0.29053129  0.09173032
   0.77239842  1.14344904  0.19878192
   0.41027067  0.07020954  0.64765052
   0.17953518  0.69753316  0.74453661
   0.55630586  1.35900821 -0.03907865
   0.32463150  1.47608361 -0.12029168
   0.70553374  0.35140538  0.85618671
   0.58860096  0.59403372  0.72617419
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908697    0.102988   -0.200714
    -0.000000    9.624815    0.231905
    -0.000000    0.000000   13.971408
   Si   O    H 
    32    64    10
Direct configuration=  3396
   0.17397387  0.17075656  0.00867099
   0.36365989  0.11784380  0.39169483
   0.15663738  0.43826181  0.10665283
   0.39403197  0.36051314  0.24653138
   0.07509297  0.15039449  0.49008820
   0.41064191  0.09296159  0.86855995
   0.14660227  0.37954292  0.61419784
   0.37804564  0.38012251  0.75521259
   0.16713993  0.72341450 -0.00323411
   0.40631822  0.61258889  0.37730971
   0.11275585  0.95687167  0.14164091
   0.35332548  0.88019422  0.27614849
   0.15780328  0.56694352  0.49761839
   0.39001472  0.68152331  0.83088772
   0.08232202  0.87984140  0.58175189
   0.38387390  0.90805134  0.68400101
   0.66503030  0.15165421  1.00225175
   0.86047863  0.14352265  0.34532690
   0.61559945  0.45754980  0.10308406
   0.86269221  0.38172265  0.18517349
   0.64006497  0.19740575  0.49163407
   0.93053761  0.11123652  0.87815539
   0.62703007  0.45671496  0.62452629
   0.82913807  0.38702234  0.80123613
   0.60770859  0.69811734 -0.01859913
   0.91262209  0.57429640  0.35028003
   0.59964512  0.92177143  0.13229612
   0.85523651  0.85902787  0.24844145
   0.67723391  0.68089162  0.48304675
   0.88032445  0.67710287  0.90427185
   0.68494348  0.92181374  0.60936106
   0.89404133  0.88865539  0.74504788
   0.16567218  0.12626867  0.13596996
   0.38718459  0.19212815  0.28749208
   0.17355285  0.34322222  0.00111828
   0.37143732  0.44842009  0.34221950
   0.54492248  0.39534589  0.19154499
   0.28157613  0.36845265  0.16239470
   0.23125757  0.12805069  0.45036574
  -0.01803827  0.21173223  0.39908009
   0.01653164  0.00725178  0.52706421
   0.42469120  0.23931884  0.80722520
   0.07286492  0.23276930  0.58790313
   0.37766996  0.49943624  0.84220145
   0.49652323  0.41013695  0.68090581
   0.22343153  0.37359262  0.71814185
   0.28155338  0.09258101 -0.06167544
   0.02295992  0.11692491  0.98187797
   0.19167104  0.60055731  0.07697268
   0.37969442  0.71849961  0.28648148
   0.17558901  0.86775770  0.04626801
   0.39458648  0.95813476  0.37562127
   0.46952149  0.92589016  0.19722632
   0.19007258  0.89218081  0.23901940
   0.29528531  0.66314806  0.45601855
   0.06428692  0.55688547  0.39135903
   0.25341225  0.40896968  0.52411950
   0.36087822  0.72868048  0.72662625
   0.06724708  0.74710912  0.50782618
   0.38182345  0.96350979  0.80551095
   0.53967011  0.86928513  0.64990751
   0.22739097  0.91287376  0.62639878
   0.27661208  0.73116775 -0.09106810
   0.01746051  0.71344424  0.96397462
   0.66378481  0.09688004  0.11371797
   0.86090766  0.20088576  0.23032600
   0.62105605  0.34304943  0.01038520
   0.84973913  0.44069649  0.29778833
   0.01787408  0.38712150  0.15969527
   0.76661553  0.50837081  0.12834771
   0.72475796  0.19915109  0.39120927
   0.48643048  0.15904224  0.46508313
   0.70136194  0.07951393  0.57004227
   0.93213783  0.26676675  0.82849362
   0.62575041  0.34774218  0.53604558
   0.89643329  0.53458392  0.84521065
   1.05309677  0.51899537  0.59690841
   0.77408326  0.41854868  0.68838082
   0.77851457  0.08195119  0.93207924
   0.54003640  0.09473244  0.94625061
   0.52821149  0.57676756  0.04320875
   0.91947551  0.70994288  0.27898649
   0.58044953  0.85184255  0.02741019
   0.86089008  0.98545060  0.32279764
   0.95140003  0.91436134  0.15654735
   0.71203437  0.84016388  0.21121374
   0.81235102  0.61150464  0.43957793
   0.55007290  0.62387556  0.42600587
   0.64462225  0.60775963  0.57912528
   0.83239058  0.77472167  0.81874328
   0.67169162  0.85238565  0.47984202
   0.98638453  1.00003977  0.80957171
   0.99866945  0.82934796  0.67478081
   0.77560138  0.98451779  0.70771564
   0.76826701  0.67190160  0.98810187
   0.53984013  0.70159090  0.87563805
   0.77066958  0.78832223  0.60823171
   1.11750542  0.80785306  0.41051958
   0.83075077  0.28241460  0.09071962
   0.75832102  1.13122316  0.19766373
   0.41553375  0.06893487  0.65088680
   0.18585355  0.66242648  0.70814489
   0.55368500  1.35678173 -0.04780452
   0.26180464  1.47365083 -0.08677135
   0.70067386  0.36048556  0.86171062
   0.59036764  0.59741713  0.73205919
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907992    0.102089   -0.203922
    -0.000000    9.625300    0.229272
    -0.000000    0.000000   13.973243
   Si   O    H 
    32    64    10
Direct configuration=  3397
   0.17439605  0.17058606  0.00987452
   0.36474085  0.11886653  0.39196001
   0.15525534  0.43928370  0.10667274
   0.39289260  0.35986670  0.24679486
   0.07521299  0.15124268  0.48873189
   0.41097130  0.09373009  0.86933322
   0.14727734  0.37782279  0.61479759
   0.37882363  0.37864146  0.75391063
   0.16794027  0.72421061 -0.00229016
   0.40819395  0.61330022  0.37736746
   0.11272323  0.95852860  0.14076591
   0.35437936  0.87980037  0.27617773
   0.15812433  0.56853976  0.49570474
   0.38989469  0.68297040  0.83175664
   0.08284394  0.87926554  0.58143334
   0.38323155  0.90804644  0.68359685
   0.66413724  0.15191253  1.00214095
   0.86068634  0.14433438  0.34640221
   0.61586327  0.45815396  0.10168490
   0.86340812  0.38106266  0.18462455
   0.64210858  0.19839931  0.49221968
   0.93106199  0.11133603  0.87936029
   0.62735429  0.45652246  0.62498076
   0.82781548  0.38666766  0.80185619
   0.60920054  0.69732194 -0.01886601
   0.91301021  0.57472429  0.35179077
   0.59933336  0.92230820  0.13353267
   0.85577042  0.85860733  0.24894556
   0.67765996  0.67950524  0.48302178
   0.88057378  0.67683392  0.90503037
   0.68476340  0.92310890  0.60981342
   0.89388296  0.88848994  0.74578017
   0.16188494  0.12515837  0.13505441
   0.38828121  0.19255615  0.28636102
   0.17329052  0.34524108  0.00060957
   0.36927531  0.44999163  0.34120648
   0.54366384  0.39431422  0.19143377
   0.28415457  0.36765425  0.16149155
   0.23163675  0.12870316  0.45030340
  -0.01433142  0.21087806  0.39864865
   0.01504801  0.00764461  0.52682812
   0.42640495  0.23804356  0.80712381
   0.07242006  0.23296990  0.58762508
   0.37855728  0.50087913  0.84125609
   0.49642592  0.41371157  0.68151916
   0.22415848  0.37408833  0.71829387
   0.28202838  0.09251116 -0.06113358
   0.02373380  0.11574620  0.98204564
   0.19329189  0.59883367  0.07598652
   0.37824408  0.71888042  0.28583450
   0.17479666  0.87001748  0.04636080
   0.39489210  0.95808982  0.37535046
   0.46799821  0.92621609  0.19618847
   0.19165660  0.89212420  0.23986032
   0.29425500  0.66255169  0.45490358
   0.06573765  0.55636369  0.39073879
   0.25352780  0.40739110  0.52529135
   0.36027011  0.72837805  0.72663146
   0.06849594  0.75052098  0.50770781
   0.38053091  0.96265345  0.80583912
   0.54175207  0.86873067  0.64944704
   0.22727332  0.91218799  0.62602824
   0.27736529  0.73324982 -0.09305204
   0.01601502  0.71199647  0.96274410
   0.66542350  0.09855562  0.11403919
   0.86232942  0.20093547  0.23129135
   0.62155615  0.34187016  0.01124233
   0.84901221  0.44349957  0.29730708
   0.01864965  0.38515369  0.15882854
   0.76591955  0.50850769  0.12858767
   0.72446372  0.19978062  0.39129997
   0.48634812  0.15866750  0.46407460
   0.70147954  0.07972153  0.57126895
   0.93152707  0.26667519  0.82841704
   0.62620402  0.34932007  0.53639944
   0.89512721  0.53416419  0.84575745
   1.05388292  0.51861306  0.59692611
   0.77212960  0.41477258  0.68820774
   0.77857262  0.08103185  0.93185017
   0.53912145  0.09350951  0.94608478
   0.52785836  0.57873899  0.04416915
   0.92120271  0.71116109  0.27988101
   0.58035379  0.85189434  0.02784345
   0.85985567  0.98399761  0.32106797
   0.95262830  0.91326989  0.15692443
   0.71485103  0.84138573  0.21021490
   0.81402453  0.61204956  0.43961877
   0.54925305  0.62303010  0.42491493
   0.64446434  0.60927597  0.57919732
   0.83085199  0.77453135  0.81861637
   0.67250131  0.85022490  0.48115154
   0.98695208  0.99891580  0.81014725
   0.99947559  0.83023464  0.67512060
   0.77253168  0.98386385  0.70787916
   0.76865859  0.67176682  0.98912370
   0.53799587  0.70068327  0.87516534
   0.77649627  0.79281622  0.61200726
   1.10942688  0.79179501  0.42950830
   0.82383574  0.27687488  0.08843802
   0.75233664  1.13138210  0.19319902
   0.42007317  0.06486165  0.65478737
   0.19605407  0.63143158  0.67622303
   0.55281924  1.35233917 -0.05381602
   0.21436130  1.46581141 -0.06265219
   0.70058376  0.37098177  0.86126084
   0.59044224  0.60111986  0.73832941
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907381    0.101292   -0.206976
    -0.000000    9.625364    0.227552
    -0.000000    0.000000   13.974697
   Si   O    H 
    32    64    10
Direct configuration=  3398
   0.17435867  0.17022760  0.01094702
   0.36566326  0.12028524  0.39223114
   0.15442092  0.44029107  0.10665048
   0.39212343  0.35893959  0.24718701
   0.07518825  0.15249439  0.48723228
   0.41063993  0.09497233  0.86983995
   0.14819489  0.37594388  0.61556928
   0.37990720  0.37754252  0.75304278
   0.16925110  0.72501064 -0.00139371
   0.40903508  0.61458787  0.37750919
   0.11285196  0.95995910  0.14023439
   0.35555733  0.87951782  0.27574386
   0.15833039  0.56984027  0.49415654
   0.38998048  0.68455953  0.83244825
   0.08295113  0.87886830  0.58140699
   0.38264788  0.90839757  0.68345224
   0.66405790  0.15207545  1.00133141
   0.85961684  0.14459568  0.34710411
   0.61612819  0.45910205  0.10032597
   0.86363713  0.37949512  0.18455987
   0.64377296  0.19917227  0.49290539
   0.93164290  0.11135152  0.88086772
   0.62801012  0.45592105  0.62551556
   0.82664396  0.38617990  0.80273768
   0.61063864  0.69695172 -0.01926886
   0.91387464  0.57477333  0.35283147
   0.59933561  0.92339563  0.13473749
   0.85627454  0.85865267  0.24934073
   0.67781313  0.67844339  0.48317965
   0.88063269  0.67595496  0.90629097
   0.68434779  0.92431965  0.60982927
   0.89375235  0.88811710  0.74697039
   0.15869461  0.12501783  0.13328644
   0.38930971  0.19379762  0.28543473
   0.17357187  0.34782066  0.00025320
   0.36708920  0.45175305  0.34055992
   0.54257357  0.39294691  0.19189955
   0.28643137  0.36726753  0.16093009
   0.23036818  0.12919117  0.45031139
  -0.00999612  0.20958166  0.39881769
   0.01416626  0.00796080  0.52629255
   0.42814886  0.23793672  0.80759159
   0.07197812  0.23304454  0.58807027
   0.37894091  0.50291743  0.83999201
   0.49693368  0.41667496  0.68208525
   0.22470172  0.37359587  0.71831031
   0.28190868  0.09241840 -0.06026168
   0.02504026  0.11488452  0.98154841
   0.19532768  0.59743795  0.07466140
   0.37731047  0.71912324  0.28518669
   0.17370249  0.87337193  0.04641122
   0.39553004  0.95782878  0.37518460
   0.46636788  0.92659652  0.19494525
   0.19296354  0.89230893  0.24101676
   0.29291029  0.66109147  0.45438909
   0.06709686  0.55567080  0.39047013
   0.25292912  0.40652857  0.52687586
   0.35964692  0.72790604  0.72614337
   0.07008153  0.75454541  0.50663199
   0.37963531  0.96142425  0.80571774
   0.54335751  0.86897143  0.64926281
   0.22789458  0.91199188  0.62569047
   0.27802486  0.73525382 -0.09531289
   0.01536154  0.71102447  0.96134881
   0.66729284  0.10008014  0.11450608
   0.86239133  0.20123637  0.23176794
   0.62134376  0.34020615  0.01130626
   0.84854945  0.44630600  0.29688840
   0.01926016  0.38459722  0.15801826
   0.76506915  0.50863453  0.12875354
   0.72415470  0.20014854  0.39142349
   0.48658934  0.15951609  0.46257690
   0.70224074  0.08150510  0.57221923
   0.93129681  0.26669732  0.82806424
   0.62676209  0.35035543  0.53745656
   0.89313595  0.53275057  0.84667161
   1.05509753  0.51789274  0.59683207
   0.77038755  0.41069284  0.68842334
   0.77898757  0.07990374  0.93193722
   0.53866234  0.09112537  0.94542846
   0.52761656  0.58077740  0.04503094
   0.92255144  0.71168635  0.28073067
   0.57942150  0.85273674  0.02773887
   0.85930123  0.98280960  0.31986049
   0.95388390  0.91301236  0.15732807
   0.71484910  0.84293665  0.20893622
   0.81563077  0.61233117  0.43957081
   0.54801494  0.62313951  0.42376885
   0.64421518  0.61060534  0.58005815
   0.82890089  0.77477901  0.81887272
   0.67316472  0.84818868  0.48232490
   0.98789589  0.99738410  0.81045805
   1.00028094  0.83088022  0.67585446
   0.76901192  0.98276784  0.70862198
   0.76958392  0.67167058  0.99001019
   0.53642552  0.69971130  0.87521695
   0.78198468  0.79680373  0.61902764
   1.09859739  0.77341563  0.45499153
   0.81902343  0.27694731  0.08831233
   0.75059526  1.13678356  0.18664439
   0.42444920  0.05611366  0.65431986
   0.20902933  0.60727143  0.64718855
   0.55816360  1.35159488 -0.05027097
   0.16734038  1.44635142 -0.03780539
   0.70249645  0.38304847  0.85865140
   0.59245625  0.60536119  0.74154489
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906918    0.100395   -0.210611
    -0.000000    9.625419    0.225852
    -0.000000    0.000000   13.975642
   Si   O    H 
    32    64    10
Direct configuration=  3399
   0.17460238  0.16945009  0.01193309
   0.36668724  0.12173415  0.39250623
   0.15461121  0.44199870  0.10709213
   0.39182023  0.35792643  0.24809133
   0.07501222  0.15385004  0.48610176
   0.41029385  0.09635750  0.86999180
   0.14894106  0.37436532  0.61612594
   0.38068102  0.37624773  0.75282451
   0.17058599  0.72607548 -0.00125130
   0.40922943  0.61560486  0.37723420
   0.11201137  0.96141019  0.14005026
   0.35667705  0.87999666  0.27520947
   0.15799654  0.57055330  0.49316203
   0.39034129  0.68540771  0.83323545
   0.08293496  0.87829215  0.58168074
   0.38175842  0.90891605  0.68351710
   0.66448633  0.15251092  1.00085206
   0.85839007  0.14470023  0.34735861
   0.61571213  0.46023784  0.09941205
   0.86395387  0.37843593  0.18412207
   0.64471522  0.19927006  0.49362928
   0.93151973  0.11072369  0.88242804
   0.62868465  0.45568286  0.62640875
   0.82533548  0.38642738  0.80368628
   0.61133457  0.69789410 -0.01956606
   0.91426309  0.57503322  0.35381390
   0.59943894  0.92372351  0.13544706
   0.85772647  0.85866833  0.24909703
   0.67803519  0.67770787  0.48268123
   0.87982684  0.67485194  0.90721642
   0.68382635  0.92504696  0.60995000
   0.89314455  0.88784347  0.74773276
   0.15595855  0.12416823  0.13123456
   0.39043373  0.19610578  0.28453858
   0.17344863  0.35013674  0.00048675
   0.36534694  0.45411250  0.34027899
   0.54038949  0.39212458  0.19229791
   0.28657889  0.36702966  0.16020112
   0.22883420  0.13001156  0.45014081
  -0.00668616  0.20918933  0.39878525
   0.01347443  0.00827403  0.52500059
   0.43015637  0.23815572  0.80853060
   0.07042887  0.23335182  0.58806033
   0.37883576  0.50438581  0.83863059
   0.49789468  0.42003575  0.68281385
   0.22543280  0.37245014  0.71778760
   0.28142771  0.09316159 -0.05871100
   0.02589242  0.11444670  0.98136229
   0.19710022  0.59650404  0.07357156
   0.37640516  0.71876350  0.28480904
   0.17177167  0.87694438  0.04671927
   0.39547339  0.95750716  0.37424353
   0.46440841  0.92699391  0.19392664
   0.19480821  0.89244462  0.24137997
   0.29169094  0.65962752  0.45416048
   0.06852385  0.55490794  0.39075714
   0.25227199  0.40594719  0.52819564
   0.35907663  0.72754607  0.72540526
   0.07080806  0.75597693  0.50817269
   0.37974733  0.96033126  0.80537262
   0.54413597  0.86927499  0.64906663
   0.22945903  0.91145007  0.62557712
   0.27791694  0.73738241 -0.09709346
   0.01535012  0.71044105  0.95977079
   0.66807219  0.10013793  0.11526722
   0.86169726  0.20233407  0.23224552
   0.62111958  0.33770891  0.01068029
   0.84807807  0.44811766  0.29623547
   0.02061462  0.38383424  0.15670086
   0.76421071  0.50874425  0.12920071
   0.72378671  0.20168058  0.39220010
   0.48710541  0.16091989  0.46131445
   0.70230963  0.08413037  0.57253009
   0.93183095  0.26683715  0.82731500
   0.62784325  0.35012076  0.53831280
   0.89127698  0.53121831  0.84700400
   1.05631921  0.51796475  0.59642448
   0.76923852  0.40702570  0.68881195
   0.78007419  0.07958954  0.93189426
   0.53843421  0.08907223  0.94488958
   0.52745000  0.58277939  0.04584751
   0.92406322  0.71116210  0.28134317
   0.57825009  0.85305221  0.02783514
   0.85985077  0.98220126  0.31927320
   0.95510656  0.91200384  0.15800837
   0.71379244  0.84465615  0.20776972
   0.81782275  0.61356637  0.44002655
   0.54720132  0.62338548  0.42312646
   0.64389153  0.61116811  0.58145581
   0.82768407  0.77575334  0.81858885
   0.67423349  0.84662929  0.48351233
   0.98856151  0.99616860  0.81136093
   1.00120807  0.83140199  0.67571229
   0.76565450  0.98093291  0.70972005
   0.77109616  0.67216165  0.99086742
   0.53504392  0.69864184  0.87557767
   0.78180362  0.80153722  0.62426291
   1.10883507  0.77268542  0.43607114
   0.81277462  0.28354328  0.08986469
   0.75532766  1.14772099  0.17851224
   0.43002227  0.04862035  0.65235590
   0.21504935  0.58649656  0.61655222
   0.56498093  1.35549384 -0.03933430
   0.12788522  1.42254429 -0.01734023
   0.70551780  0.39504818  0.85448153
   0.59447165  0.60678322  0.74568027
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905901    0.100041   -0.213979
    -0.000000    9.625411    0.223521
    -0.000000    0.000000   13.976791
   Si   O    H 
    32    64    10
Direct configuration=  3400
   0.17467967  0.16862000  0.01208835
   0.36788429  0.12310191  0.39266706
   0.15532256  0.44373126  0.10769302
   0.39130913  0.35706170  0.24895664
   0.07522086  0.15439766  0.48516406
   0.40966312  0.09660990  0.86987747
   0.14979813  0.37282329  0.61629586
   0.38142431  0.37554117  0.75289804
   0.17187352  0.72748935 -0.00159109
   0.40841388  0.61651714  0.37721870
   0.11108949  0.96233307  0.14037081
   0.35722657  0.87987854  0.27464683
   0.15771398  0.57081624  0.49229077
   0.38984858  0.68547335  0.83365226
   0.08309222  0.87772425  0.58240006
   0.38105626  0.90994478  0.68354043
   0.66508841  0.15336609  1.00017934
   0.85776648  0.14474738  0.34799614
   0.61514017  0.46109005  0.09903631
   0.86379572  0.37806778  0.18330386
   0.64468725  0.19959658  0.49428599
   0.93126798  0.11006503  0.88396398
   0.63016319  0.45564018  0.62743598
   0.82414721  0.38633477  0.80417121
   0.61118086  0.69893598 -0.01993136
   0.91477378  0.57531071  0.35457031
   0.59963351  0.92458486  0.13618626
   0.86011868  0.85883247  0.24827209
   0.67816875  0.67703566  0.48188907
   0.87856382  0.67354459  0.90779684
   0.68324554  0.92536449  0.60959874
   0.89297311  0.88808733  0.74857133
   0.15449932  0.12313344  0.12908261
   0.39056823  0.19811104  0.28386707
   0.17488292  0.35088058  0.00157346
   0.36437691  0.45674456  0.34061241
   0.53812142  0.39187813  0.19298142
   0.28679996  0.36696267  0.15878347
   0.22782329  0.13115555  0.45010061
  -0.00487062  0.20804550  0.39799961
   0.01288380  0.00791041  0.52410107
   0.43229166  0.23799268  0.80916695
   0.06886180  0.23295936  0.58846121
   0.37936223  0.50520651  0.83709536
   0.49819489  0.42245636  0.68353708
   0.22543422  0.37054716  0.71744804
   0.28100754  0.09447405 -0.05775138
   0.02618856  0.11438258  0.98054597
   0.19847563  0.59551351  0.07322476
   0.37624144  0.71886714  0.28463306
   0.17018478  0.88073557  0.04744488
   0.39534903  0.95639042  0.37349967
   0.46251975  0.92629595  0.19354767
   0.19687649  0.89314937  0.24166088
   0.29130779  0.65736672  0.45404161
   0.07076311  0.55382188  0.39117228
   0.25147991  0.40534184  0.52906970
   0.35883497  0.72724738  0.72452729
   0.07221334  0.75773827  0.50900039
   0.37964411  0.95930596  0.80495742
   0.54430152  0.86969405  0.64920164
   0.23169731  0.91093833  0.62534015
   0.27674474  0.73907069 -0.09838311
   0.01542365  0.70966163  0.95827695
   0.66867904  0.09995105  0.11650277
   0.85974891  0.20300123  0.23209481
   0.62122270  0.33450018  0.01146383
   0.84855070  0.44991422  0.29542775
   0.02238478  0.38437225  0.15566333
   0.76405068  0.50882940  0.12981346
   0.72300576  0.20317140  0.39358634
   0.48793403  0.16287417  0.45967347
   0.70199678  0.08723641  0.57220293
   0.93166694  0.26618438  0.82588370
   0.62927335  0.34973344  0.53852662
   0.88950772  0.52920853  0.84696453
   1.05725377  0.51739104  0.59564296
   0.76777417  0.40370739  0.68949638
   0.78066952  0.07923975  0.93144545
   0.53833599  0.08733847  0.94447964
   0.52767896  0.58466728  0.04647484
   0.92522515  0.71073053  0.28185761
   0.57761015  0.85266310  0.02810561
   0.86015621  0.98236504  0.31951099
   0.95659764  0.91093034  0.15889327
   0.71187101  0.84531226  0.20677030
   0.81927393  0.61473083  0.44009267
   0.54654957  0.62417600  0.42169889
   0.64330133  0.61105656  0.58343159
   0.82692957  0.77721893  0.81806418
   0.67595297  0.84505916  0.48461969
   0.98925013  0.99488032  0.81174369
   1.00251810  0.83177711  0.67489131
   0.76292110  0.97827415  0.71069313
   0.77163813  0.67312568  0.99156678
   0.53527041  0.69783015  0.87651125
   0.78539497  0.80335875  0.62817296
   1.11300760  0.77780902  0.42482481
   0.80688964  0.29021776  0.08992477
   0.76075795  1.15668720  0.17160043
   0.43309895  0.04591278  0.64965947
   0.21715823  0.57009739  0.58891556
   0.55705488  1.36430603 -0.04094888
   0.06899747  1.43425414 -0.01413081
   0.70148844  0.40431118  0.85140718
   0.59815900  0.60619857  0.74829147
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905050    0.100266   -0.216820
    -0.000000    9.624954    0.221012
    -0.000000    0.000000   13.978112
   Si   O    H 
    32    64    10
Direct configuration=  3401
   0.17469103  0.16785044  0.01231949
   0.36851651  0.12457803  0.39228399
   0.15668671  0.44519031  0.10778025
   0.39075755  0.35631047  0.24932791
   0.07545991  0.15419848  0.48450213
   0.40915114  0.09714470  0.86966643
   0.15013973  0.37142231  0.61620860
   0.38197758  0.37535461  0.75320161
   0.17300246  0.72901837 -0.00175280
   0.40683730  0.61760631  0.37686708
   0.11107203  0.96313998  0.14070077
   0.35785831  0.87982207  0.27390849
   0.15787389  0.57019545  0.49175195
   0.38929125  0.68530917  0.83386264
   0.08314446  0.87771305  0.58305586
   0.38002493  0.90984991  0.68360322
   0.66592678  0.15405003  0.99934515
   0.85709667  0.14494239  0.34838620
   0.61431548  0.46191951  0.09867412
   0.86323910  0.37718484  0.18270063
   0.64477781  0.19922127  0.49444804
   0.93130678  0.10998734  0.88519686
   0.63194577  0.45570625  0.62867916
   0.82306963  0.38624158  0.80430202
   0.61145639  0.70026112 -0.02019914
   0.91486728  0.57594167  0.35522035
   0.59994001  0.92548933  0.13682873
   0.86242165  0.85895524  0.24723616
   0.67841938  0.67681899  0.48124019
   0.87778327  0.67221293  0.90829719
   0.68291581  0.92518899  0.60965158
   0.89269001  0.88775841  0.74917925
   0.15309639  0.12163701  0.12691745
   0.39039295  0.19904622  0.28408588
   0.17534085  0.35119799  0.00274057
   0.36364362  0.45877082  0.34021882
   0.53567936  0.39177745  0.19357423
   0.28562411  0.36746853  0.15741664
   0.22661840  0.13221259  0.45017245
  -0.00377503  0.20704425  0.39716880
   0.01256114  0.00809021  0.52295770
   0.43399661  0.23782451  0.80978879
   0.06813070  0.23277290  0.58867979
   0.37974252  0.50617625  0.83576922
   0.49773155  0.42436386  0.68459577
   0.22563206  0.36955479  0.71671257
   0.28077425  0.09585570 -0.05782992
   0.02669433  0.11403644  0.97954163
   0.19943421  0.59481082  0.07258862
   0.37643197  0.71796486  0.28477645
   0.16887472  0.88520417  0.04777101
   0.39583299  0.95521959  0.37232890
   0.46181094  0.92559035  0.19243116
   0.19840900  0.89410365  0.24149598
   0.29151556  0.65553262  0.45405865
   0.07283462  0.55246802  0.39140943
   0.25074758  0.40465592  0.52953078
   0.35793550  0.72722028  0.72331236
   0.07363432  0.75908979  0.50887995
   0.37915250  0.95857946  0.80443842
   0.54386270  0.86967439  0.64978502
   0.23396362  0.91035051  0.62542816
   0.27485313  0.74044136 -0.09885478
   0.01652816  0.70958721  0.95759311
   0.66969110  0.09933717  0.11704930
   0.85754297  0.20332515  0.23186568
   0.62071972  0.33222052  0.01154844
   0.84923410  0.45153255  0.29451895
   0.02351845  0.38503843  0.15515662
   0.76420416  0.50781786  0.13039302
   0.72290487  0.20515059  0.39459074
   0.48971024  0.16479811  0.45838313
   0.70185133  0.09053907  0.57163975
   0.93134761  0.26536580  0.82459805
   0.63113482  0.34947662  0.53813637
   0.88772724  0.52689533  0.84649745
   1.05871100  0.51645419  0.59522828
   0.76629200  0.39987949  0.69007681
   0.78131417  0.07890285  0.93112921
   0.53754337  0.08646733  0.94449443
   0.52736094  0.58647385  0.04691798
   0.92557221  0.71081522  0.28288406
   0.57757158  0.85179302  0.02871918
   0.86070872  0.98343003  0.31993834
   0.95876948  0.90906531  0.15925214
   0.70981355  0.84623077  0.20528707
   0.82008097  0.61556621  0.44083359
   0.54714885  0.62507806  0.42019912
   0.64222679  0.60988406  0.58543046
   0.82675330  0.77867283  0.81805782
   0.67826678  0.84382997  0.48578587
   0.99028365  0.99318063  0.81183590
   1.00365608  0.83212454  0.67410987
   0.76102135  0.97631497  0.71274566
   0.77149341  0.67494512  0.99176154
   0.53627540  0.69723811  0.87730432
   0.78722334  0.80638169  0.63103847
   1.10879840  0.77843553  0.42525338
   0.80195968  0.29871299  0.08927857
   0.76704537  1.16592184  0.16741012
   0.43388848  0.04849767  0.64549306
   0.22097954  0.55795514  0.56776048
   0.54922523  1.37134938 -0.04148132
   0.02171290  1.43951353 -0.01469468
   0.68808153  0.41099380  0.85129526
   0.60104443  0.60600098  0.74859792
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904273    0.100392   -0.219251
    -0.000000    9.624437    0.218528
    -0.000000    0.000000   13.979107
   Si   O    H 
    32    64    10
Direct configuration=  3402
   0.17467240  0.16781883  0.01263538
   0.36900555  0.12638720  0.39198399
   0.15852552  0.44662399  0.10753438
   0.38981598  0.35621202  0.24935056
   0.07588920  0.15362096  0.48430175
   0.40814225  0.09762076  0.86936380
   0.14957396  0.36949180  0.61598203
   0.38244380  0.37509507  0.75368283
   0.17421083  0.73067705 -0.00227989
   0.40521736  0.61853083  0.37639422
   0.11121177  0.96314939  0.14128242
   0.35819489  0.88041392  0.27338180
   0.15776575  0.56923488  0.49042603
   0.38838698  0.68470191  0.83355638
   0.08329223  0.87820955  0.58367025
   0.37941235  0.90971750  0.68382256
   0.66687248  0.15547564  0.99833147
   0.85623383  0.14481384  0.34844675
   0.61367778  0.46217780  0.09905135
   0.86271835  0.37601491  0.18218754
   0.64403357  0.19955672  0.49422781
   0.93136180  0.11024756  0.88619774
   0.63308512  0.45580309  0.63017733
   0.82217120  0.38685973  0.80438281
   0.61135391  0.70190866 -0.02002903
   0.91556571  0.57666414  0.35538793
   0.59995445  0.92622922  0.13739058
   0.86445961  0.85854187  0.24607516
   0.67841948  0.67723808  0.48072232
   0.87782932  0.67110353  0.90852970
   0.68286771  0.92481782  0.60960555
   0.89310104  0.88756935  0.74940579
   0.15174578  0.12125233  0.12498672
   0.39058057  0.19930352  0.28426030
   0.17547911  0.35176580  0.00374335
   0.36325411  0.46034763  0.33959849
   0.53350282  0.39150066  0.19389403
   0.28448291  0.36849535  0.15659826
   0.22561107  0.13423217  0.45008518
  -0.00354589  0.20712705  0.39529174
   0.01242422  0.00821261  0.52161473
   0.43515753  0.23739020  0.81022251
   0.06714684  0.23302475  0.58893425
   0.37956961  0.50712454  0.83453002
   0.49692915  0.42569371  0.68564612
   0.22584011  0.36784692  0.71584819
   0.28103192  0.09741213 -0.05823192
   0.02706102  0.11353331  0.97888370
   0.19910418  0.59470312  0.07159398
   0.37652521  0.71695159  0.28559141
   0.16694314  0.88926813  0.04800556
   0.39594430  0.95417640  0.37139818
   0.46212813  0.92526769  0.19158374
   0.19929346  0.89531405  0.24110872
   0.29210057  0.65490195  0.45345248
   0.07428714  0.55117305  0.39168239
   0.25018657  0.40391796  0.52963242
   0.35669966  0.72721986  0.72253815
   0.07530396  0.75954556  0.50748141
   0.37829437  0.95885047  0.80426524
   0.54205592  0.86939077  0.65030375
   0.23554013  0.91024597  0.62506598
   0.27183688  0.74115134 -0.09849961
   0.01862652  0.70921385  0.95677657
   0.67078855  0.09936242  0.11702866
   0.85465937  0.20334645  0.23121419
   0.61920482  0.33074424  0.01106752
   0.85121671  0.45300845  0.29357189
   0.02403428  0.38691891  0.15503609
   0.76458894  0.50732523  0.13142500
   0.72326066  0.20709454  0.39496368
   0.49116057  0.16725725  0.45755046
   0.70132286  0.09353162  0.57136720
   0.93121747  0.26407011  0.82359543
   0.63258069  0.34958817  0.53803509
   0.88626037  0.52472893  0.84681791
   1.06020416  0.51515071  0.59440498
   0.76514138  0.39629194  0.69033607
   0.78228252  0.07977668  0.93138055
   0.53661138  0.08497380  0.94454140
   0.52739683  0.58903526  0.04699278
   0.92450359  0.71100537  0.28388475
   0.57720428  0.85126252  0.02998219
   0.86089705  0.98409624  0.32113400
   0.96145280  0.90783349  0.15913825
   0.70767909  0.84643208  0.20378680
   0.82080937  0.61659724  0.44125336
   0.54868184  0.62548711  0.41872568
   0.64073219  0.60824642  0.58764381
   0.82734336  0.77908993  0.81817276
   0.68115377  0.84320900  0.48677535
   0.99130335  0.99215327  0.81232276
   1.00451266  0.83154117  0.67409664
   0.75969835  0.97392636  0.71444012
   0.77196790  0.67733122  0.99140628
   0.53710428  0.69743616  0.87818360
   0.78819916  0.80800723  0.63252361
   1.10177445  0.77699662  0.43402504
   0.80026709  0.30485502  0.08881414
   0.77187722  1.16521921  0.16683233
   0.43309363  0.05486227  0.64121621
   0.24413735  0.55004699  0.57298548
   0.54706693  1.37494697 -0.03640382
  -0.01055805  1.44229272 -0.01336205
   0.67493335  0.41463702  0.85028823
   0.60693584  0.60611241  0.74890229
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903621    0.100596   -0.221998
    -0.000000    9.624317    0.216249
    -0.000000    0.000000   13.980158
   Si   O    H 
    32    64    10
Direct configuration=  3403
   0.17441548  0.16800416  0.01304269
   0.36928637  0.12764700  0.39137227
   0.16056021  0.44731543  0.10699370
   0.38876204  0.35622593  0.24956354
   0.07641115  0.15332009  0.48436092
   0.40721332  0.09697489  0.86915030
   0.14808702  0.36761004  0.61505012
   0.38252817  0.37527455  0.75413976
   0.17582708  0.73200181 -0.00276014
   0.40310526  0.61914428  0.37591956
   0.11216141  0.96322192  0.14155127
   0.35844036  0.88071567  0.27293415
   0.15759285  0.56819294  0.48993515
   0.38720120  0.68358933  0.83328242
   0.08395781  0.87854451  0.58437959
   0.37875263  0.90997503  0.68415525
   0.66812332  0.15693540  0.99776126
   0.85503106  0.14482761  0.34874408
   0.61242065  0.46211278  0.09939934
   0.86236901  0.37531828  0.18164013
   0.64308235  0.19949464  0.49418996
   0.93139280  0.11009786  0.88697458
   0.63483466  0.45538930  0.63173558
   0.82060022  0.38742380  0.80386913
   0.61089466  0.70325801 -0.01962266
   0.91623725  0.57733036  0.35537201
   0.59987263  0.92771434  0.13731515
   0.86615070  0.85816096  0.24529574
   0.67903709  0.67784014  0.47988798
   0.87818358  0.67031507  0.90879661
   0.68252305  0.92410240  0.60934248
   0.89312209  0.88793609  0.74942965
   0.15039134  0.12103962  0.12316116
   0.39006281  0.19946829  0.28496548
   0.17589067  0.35187878  0.00457459
   0.36226522  0.46225364  0.33904237
   0.53184350  0.39147312  0.19421187
   0.28366113  0.36967499  0.15617990
   0.22583689  0.13545718  0.44990077
  -0.00421474  0.20684673  0.39259995
   0.01262751  0.00758792  0.52065005
   0.43619890  0.23654147  0.81087999
   0.06652826  0.23294371  0.58943082
   0.37839820  0.50730650  0.83316352
   0.49578654  0.42600995  0.68619904
   0.22608496  0.36589396  0.71553430
   0.28085352  0.09917667 -0.05906629
   0.02708021  0.11359846  0.97861522
   0.19863798  0.59558604  0.07078093
   0.37690096  0.71574381  0.28628936
   0.16561208  0.89224424  0.04767125
   0.39643158  0.95306712  0.37106334
   0.46223209  0.92568631  0.19045734
   0.20063377  0.89770946  0.24047039
   0.29323486  0.65452401  0.45271213
   0.07459685  0.55113233  0.39267384
   0.24988577  0.40291410  0.52938185
   0.35582357  0.72702709  0.72212530
   0.07713014  0.75972918  0.50530042
   0.37744487  0.95888583  0.80385834
   0.53987081  0.86849449  0.65079667
   0.23654322  0.90924133  0.62427956
   0.26932864  0.74179491 -0.09801185
   0.02053568  0.70902452  0.95638436
   0.67098866  0.09984343  0.11645550
   0.85114558  0.20420202  0.23083696
   0.61786678  0.33035241  0.01054900
   0.85314167  0.45341696  0.29241191
   0.02368894  0.38891564  0.15456743
   0.76396935  0.50741457  0.13201337
   0.72462138  0.20896872  0.39488673
   0.49332366  0.17004495  0.45662251
   0.70085376  0.09672119  0.57126678
   0.93123813  0.26194271  0.82293241
   0.63436190  0.34979370  0.53845925
   0.88486083  0.52221248  0.84745171
   1.06148948  0.51364006  0.59373216
   0.76461356  0.39383394  0.69046476
   0.78364827  0.08044740  0.93208486
   0.53537710  0.08355925  0.94491683
   0.52686150  0.59041559  0.04707035
   0.92404598  0.71139796  0.28433156
   0.57733952  0.85089656  0.03166195
   0.86080220  0.98558624  0.32210985
   0.96326224  0.90679460  0.15924060
   0.70638633  0.84685140  0.20236873
   0.82116807  0.61714658  0.44186478
   0.54960557  0.62537806  0.41755059
   0.63947521  0.60757381  0.59002651
   0.82747107  0.77877189  0.81886258
   0.68400639  0.84203342  0.48746786
   0.99159629  0.99125335  0.81271886
   1.00555839  0.83084219  0.67476822
   0.75946172  0.97245067  0.71623948
   0.77247881  0.67909908  0.99124381
   0.53757928  0.69788717  0.87882764
   0.78773998  0.80982541  0.63014095
   1.09280041  0.77800021  0.45025070
   0.79910026  0.30447347  0.08786991
   0.77721934  1.15904375  0.17115718
   0.43036876  0.06161671  0.63754128
   0.27035312  0.54249744  0.58219430
   0.54717687  1.37188785 -0.02860006
  -0.04026231  1.44480380 -0.01017861
   0.66721798  0.41606971  0.84683885
   0.60810721  0.60582995  0.74813761
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903361    0.100906   -0.224804
    -0.000000    9.624251    0.214527
    -0.000000    0.000000   13.981375
   Si   O    H 
    32    64    10
Direct configuration=  3404
   0.17411490  0.16846329  0.01356348
   0.36974926  0.12873185  0.39061445
   0.16207833  0.44750072  0.10634747
   0.38792436  0.35696998  0.24987751
   0.07720569  0.15228202  0.48485424
   0.40640145  0.09658819  0.86888105
   0.14652126  0.36620436  0.61383169
   0.38236403  0.37535096  0.75485514
   0.17737152  0.73338167 -0.00294789
   0.40144318  0.61922094  0.37567128
   0.11373236  0.96220597  0.14287946
   0.35758327  0.88098231  0.27214479
   0.15706761  0.56721268  0.48992102
   0.38630229  0.68180554  0.83282214
   0.08503210  0.87928077  0.58526116
   0.37852144  0.91026437  0.68460779
   0.66900351  0.15752738  0.99752329
   0.85400005  0.14453114  0.34906385
   0.61114658  0.46139611  0.09993823
   0.86171611  0.37431799  0.18076590
   0.64193192  0.19973623  0.49431425
   0.93166296  0.11024426  0.88752463
   0.63673979  0.45478384  0.63285194
   0.81932005  0.38841051  0.80351949
   0.60992876  0.70496502 -0.01930040
   0.91657344  0.57794409  0.35540832
   0.59973942  0.93026599  0.13692765
   0.86741719  0.85773126  0.24450845
   0.68000395  0.67776109  0.47927748
   0.87881844  0.66958800  0.90818256
   0.68179523  0.92381368  0.60912373
   0.89311417  0.88864694  0.74947129
   0.14965508  0.12165289  0.12162144
   0.38923687  0.19864366  0.28530182
   0.17648088  0.35029772  0.00525690
   0.36145860  0.46436716  0.33861000
   0.53049216  0.39199254  0.19406764
   0.28347569  0.37083144  0.15676481
   0.22628841  0.13689666  0.44981533
  -0.00543438  0.20686989  0.39024738
   0.01220880  0.00688274  0.52008110
   0.43742296  0.23528554  0.81117907
   0.06628052  0.23232326  0.58937812
   0.37689400  0.50727459  0.83213549
   0.49481028  0.42660332  0.68650543
   0.22638567  0.36354775  0.71540102
   0.28007777  0.10091636 -0.06016274
   0.02788239  0.11423859  0.97888283
   0.19777385  0.59803284  0.07015477
   0.37752178  0.71415644  0.28634764
   0.16517891  0.89340862  0.04795403
   0.39720641  0.95292068  0.37104335
   0.46134029  0.92661873  0.18931144
   0.20236218  0.89973213  0.23942070
   0.29393805  0.65380124  0.45253419
   0.07522260  0.55065711  0.39329759
   0.25016449  0.40138977  0.52864214
   0.35538921  0.72668833  0.72239534
   0.07874567  0.75843846  0.50589226
   0.37755075  0.95792650  0.80287112
   0.53809937  0.86799943  0.65098913
   0.23746524  0.90774700  0.62342085
   0.26768915  0.74216180 -0.09743006
   0.02179212  0.70855294  0.95579362
   0.67104561  0.10003684  0.11587889
   0.84711439  0.20423955  0.23032293
   0.61735111  0.33010745  0.00994142
   0.85504571  0.45360240  0.29167718
   0.02316447  0.39157528  0.15406362
   0.76240141  0.50635716  0.13252453
   0.72596047  0.21026878  0.39453220
   0.49505533  0.17277751  0.45617409
   0.70158884  0.09880678  0.57132829
   0.93045116  0.25898611  0.82290136
   0.63589130  0.35003593  0.53871037
   0.88455849  0.52092740  0.84813673
   1.06309518  0.51332824  0.59295024
   0.76377792  0.39165270  0.69109649
   0.78432092  0.08103472  0.93345585
   0.53389815  0.08267701  0.94530177
   0.52777090  0.59091566  0.04702234
   0.92352077  0.71230805  0.28481170
   0.57671495  0.85064792  0.03390639
   0.86081462  0.98650928  0.32284150
   0.96398530  0.90539154  0.15939468
   0.70544946  0.84753755  0.20116733
   0.82076282  0.61760587  0.44267325
   0.55032388  0.62460775  0.41573243
   0.63814267  0.60798287  0.59197594
   0.82687715  0.77852529  0.81966685
   0.68647533  0.84128391  0.48761510
   0.99073475  0.99122697  0.81285692
   1.00571794  0.83017059  0.67556805
   0.75878466  0.97176852  0.71834343
   0.77235787  0.68061653  0.99105873
   0.53811058  0.69917656  0.87954558
   0.78707813  0.80868647  0.62529172
   1.09479827  0.79606733  0.42430444
   0.80280004  0.30033396  0.08774723
   0.78390752  1.15330317  0.17976852
   0.42459357  0.06302664  0.63745434
   0.29585675  0.53105693  0.59163150
   0.54423882  1.36914695 -0.03031595
  -0.06841333  1.44421124 -0.00921484
   0.66994560  0.41186456  0.84435018
   0.61132723  0.60422491  0.74753058
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903010    0.101535   -0.227166
    -0.000000    9.624222    0.213042
    -0.000000    0.000000   13.982516
   Si   O    H 
    32    64    10
Direct configuration=  3405
   0.17330788  0.16920001  0.01407343
   0.37052087  0.12839108  0.39016185
   0.16297105  0.44717798  0.10509931
   0.38718586  0.35815216  0.25016746
   0.07793993  0.15119443  0.48590535
   0.40569681  0.09594284  0.86900779
   0.14515206  0.36567673  0.61289016
   0.38154523  0.37649518  0.75582596
   0.17879031  0.73510344 -0.00333045
   0.39958883  0.61933118  0.37579857
   0.11537737  0.96095344  0.14450245
   0.35725871  0.88083345  0.27148760
   0.15673755  0.56627063  0.49020051
   0.38596833  0.68041407  0.83243331
   0.08610851  0.88091763  0.58546315
   0.37854920  0.91010287  0.68548632
   0.67005355  0.15764874  0.99671476
   0.85291581  0.14389224  0.34917761
   0.60979839  0.46082845  0.10078914
   0.86124911  0.37367941  0.18007613
   0.64088340  0.19919425  0.49472501
   0.93223772  0.10997681  0.88741994
   0.63838228  0.45398225  0.63381870
   0.81845442  0.38921970  0.80346777
   0.60908747  0.70678091 -0.01869215
   0.91673772  0.57824350  0.35520543
   0.59989977  0.93220373  0.13666423
   0.86790252  0.85720920  0.24376102
   0.68046459  0.67769387  0.47857258
   0.87995329  0.66884832  0.90735739
   0.68191592  0.92369856  0.60962237
   0.89296202  0.88934911  0.74986931
   0.14923175  0.12243008  0.12031713
   0.38843996  0.19721397  0.28546841
   0.17689396  0.34875051  0.00614091
   0.36024987  0.46536946  0.33780924
   0.52880246  0.39311840  0.19372844
   0.28419471  0.37228737  0.15765561
   0.22788841  0.13868892  0.45002098
  -0.00628757  0.20696663  0.38839512
   0.01182370  0.00573027  0.51988776
   0.43780651  0.23409959  0.81090128
   0.06592699  0.23212647  0.58910992
   0.37557930  0.50780423  0.83084210
   0.49392328  0.42686796  0.68649970
   0.22760446  0.36144707  0.71511873
   0.27932027  0.10311259 -0.06057252
   0.02867972  0.11451547  0.97929000
   0.19743903  0.59983795  0.06989193
   0.37925603  0.71333686  0.28673244
   0.16527327  0.89370405  0.04792663
   0.39738171  0.95356898  0.37077647
   0.46026410  0.92812033  0.18748922
   0.20422427  0.90167108  0.23821291
   0.29455167  0.65332890  0.45265551
   0.07554802  0.54961289  0.39355741
   0.25005925  0.39952457  0.52772551
   0.35511817  0.72651040  0.72294399
   0.07922938  0.75748405  0.50603466
   0.37774503  0.95737355  0.80158692
   0.53585157  0.86797737  0.65100627
   0.23810458  0.90729591  0.62243306
   0.26600818  0.74275366 -0.09700882
   0.02298625  0.70843428  0.95544144
   0.67158989  0.09937565  0.11474601
   0.84328618  0.20503371  0.22982356
   0.61701705  0.32970872  0.00989203
   0.85640843  0.45331440  0.29122453
   0.02236329  0.39471608  0.15326659
   0.76086979  0.50485034  0.13315774
   0.72665490  0.21044621  0.39419587
   0.49520520  0.17481939  0.45563719
   0.70261705  0.09850213  0.57179666
   0.92867154  0.25611204  0.82296567
   0.63685775  0.35092067  0.53876815
   0.88472257  0.51972523  0.84935558
   1.06540511  0.51282902  0.59183081
   0.76324648  0.38962395  0.69212067
   0.78490282  0.08212363  0.93466438
   0.53267743  0.08206106  0.94563163
   0.52840770  0.59024216  0.04713713
   0.92282051  0.71276067  0.28508892
   0.57597216  0.85090310  0.03565688
   0.86080245  0.98678948  0.32297157
   0.96464992  0.90548388  0.15948520
   0.70531926  0.84751870  0.20054995
   0.82040054  0.61752018  0.44294458
   0.55075971  0.62406905  0.41375653
   0.63755260  0.60903128  0.59286581
   0.82598281  0.77851906  0.82119608
   0.68832507  0.84178206  0.48743995
   0.98965426  0.99072522  0.81357710
   1.00579579  0.82914711  0.67601190
   0.75795081  0.97131461  0.72003337
   0.77138259  0.68166287  0.99073494
   0.53883054  0.70030275  0.87985768
   0.78422820  0.80880648  0.61892926
   1.09517341  0.81119760  0.40979904
   0.81010946  0.29550279  0.08612535
   0.78716263  1.14855340  0.18834099
   0.41862276  0.06013171  0.63762634
   0.32071925  0.51310016  0.59996477
   0.53799009  1.36404429 -0.03391055
  -0.09094801  1.44410725 -0.00516949
   0.68118978  0.40406712  0.84224703
   0.61636118  0.60252963  0.74610761
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902412    0.102085   -0.229504
    -0.000000    9.623922    0.211004
    -0.000000    0.000000   13.983894
   Si   O    H 
    32    64    10
Direct configuration=  3406
   0.17269165  0.17007144  0.01396168
   0.37002041  0.12768573  0.39003871
   0.16345629  0.44634144  0.10350845
   0.38680848  0.35888890  0.25008518
   0.07844024  0.15007172  0.48698855
   0.40509202  0.09397382  0.86908876
   0.14422450  0.36616865  0.61215237
   0.38077886  0.37825687  0.75723556
   0.17927415  0.73690417 -0.00391565
   0.39726940  0.61865473  0.37580092
   0.11687260  0.95983275  0.14597614
   0.35759854  0.88016907  0.27102333
   0.15605256  0.56564531  0.49062313
   0.38553942  0.67885490  0.83188215
   0.08727604  0.88254812  0.58527932
   0.37961745  0.91034405  0.68664592
   0.67068594  0.15688003  0.99582564
   0.85202315  0.14333761  0.34962765
   0.60865977  0.46016971  0.10181928
   0.86152668  0.37342474  0.17943220
   0.64057870  0.19951265  0.49506633
   0.93281860  0.10974492  0.88731654
   0.63926845  0.45263717  0.63476595
   0.81728153  0.38996033  0.80336570
   0.60817090  0.70829422 -0.01749857
   0.91702090  0.57774961  0.35435089
   0.59930564  0.93410010  0.13597111
   0.86845330  0.85701009  0.24320873
   0.68011017  0.67781187  0.47783068
   0.88112989  0.66875440  0.90668099
   0.68244818  0.92329238  0.61004909
   0.89313041  0.89004778  0.75058734
   0.14892322  0.12318860  0.11937173
   0.38703946  0.19551280  0.28603687
   0.17724571  0.34706317  0.00700845
   0.35987118  0.46548844  0.33708054
   0.52726283  0.39416493  0.19336574
   0.28472476  0.37271463  0.15926739
   0.22965070  0.14086118  0.45013001
  -0.00736955  0.20762409  0.38782028
   0.01128023  0.00423637  0.51984046
   0.43865901  0.23338128  0.81078791
   0.06548409  0.23187234  0.58850674
   0.37455728  0.50775632  0.82976491
   0.49408694  0.42691229  0.68662565
   0.22887388  0.35940406  0.71458160
   0.27887957  0.10551651 -0.06048213
   0.02808113  0.11494607  0.97958787
   0.19800073  0.60317186  0.06935396
   0.37988780  0.71456668  0.28652945
   0.16609355  0.89241428  0.04716523
   0.39790340  0.95378415  0.37029644
   0.45846043  0.93030588  0.18617165
   0.20563509  0.90340576  0.23736918
   0.29466873  0.65337407  0.45373619
   0.07467490  0.54779537  0.39305750
   0.25169502  0.39812519  0.52687041
   0.35502810  0.72709702  0.72375190
   0.08067275  0.75685023  0.50538348
   0.37793527  0.95789767  0.80093079
   0.53362797  0.86800114  0.65184502
   0.23915945  0.90701823  0.62125260
   0.26545613  0.74344091 -0.09644164
   0.02405246  0.70853910  0.95524130
   0.67245162  0.09805579  0.11407646
   0.84055488  0.20576984  0.23047263
   0.61612782  0.33017205  0.00880555
   0.85759259  0.45183802  0.29087035
   0.02132351  0.39752348  0.15242657
   0.75976172  0.50342846  0.13354417
   0.72771253  0.21053801  0.39469355
   0.49441034  0.17604268  0.45514272
   0.70361840  0.09777917  0.57219287
   0.92637740  0.25414334  0.82354398
   0.63824721  0.35203670  0.53898338
   0.88470651  0.51876308  0.85090997
   1.06636300  0.51244888  0.59045233
   0.76352250  0.38675449  0.69332068
   0.78580350  0.08362732  0.93572626
   0.53168434  0.08140673  0.94527998
   0.52954529  0.58924911  0.04700986
   0.92121349  0.71322181  0.28560124
   0.57521354  0.85056428  0.03715211
   0.86171943  0.98602065  0.32260335
   0.96479682  0.90623798  0.15988631
   0.70586918  0.84759472  0.19993017
   0.81971573  0.61744903  0.44355429
   0.55209295  0.62321182  0.41174477
   0.63736459  0.61080655  0.59337154
   0.82528784  0.77838823  0.82263116
   0.69116226  0.84309890  0.48685493
   0.98792163  0.99022020  0.81471837
   1.00518062  0.82783245  0.67646969
   0.75735202  0.97086069  0.72124589
   0.77057968  0.68183721  0.99008932
   0.53945787  0.70115239  0.87962112
   0.78436498  0.81010876  0.61095132
   1.09224295  0.82059790  0.40584796
   0.81760692  0.29172376  0.08541146
   0.78374742  1.13575766  0.19272408
   0.40754803  0.05448527  0.63931410
   0.34241029  0.49115580  0.59938117
   0.53761921  1.35474309 -0.03611222
  -0.11017671  1.44432916 -0.00012464
   0.69510072  0.39434206  0.84196369
   0.62046060  0.60113562  0.74385014
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901981    0.102138   -0.231762
    -0.000000    9.623814    0.208812
    -0.000000    0.000000   13.985369
   Si   O    H 
    32    64    10
Direct configuration=  3407
   0.17205152  0.17201258  0.01359107
   0.36965630  0.12664682  0.39010105
   0.16389823  0.44499314  0.10186518
   0.38641040  0.35935636  0.24968628
   0.07871430  0.14985586  0.48770885
   0.40469738  0.09222935  0.86970336
   0.14385546  0.36725262  0.61145892
   0.37965276  0.37928085  0.75849759
   0.17947629  0.73918420 -0.00458763
   0.39482951  0.61822481  0.37571625
   0.11811252  0.95856382  0.14682998
   0.35800445  0.87954799  0.27034532
   0.15573856  0.56531261  0.49143414
   0.38528370  0.67666273  0.83141302
   0.08829201  0.88383496  0.58501652
   0.38105141  0.91057621  0.68741871
   0.67080571  0.15576330  0.99508531
   0.85098529  0.14279617  0.34973299
   0.60769483  0.45967801  0.10299118
   0.86246512  0.37323041  0.17889507
   0.64056372  0.20044711  0.49511640
   0.93326706  0.10934164  0.88680403
   0.63988362  0.45170902  0.63528929
   0.81646634  0.39078065  0.80334408
   0.60761030  0.70952326 -0.01627377
   0.91723035  0.57746865  0.35369678
   0.59855806  0.93604847  0.13504885
   0.86839141  0.85619066  0.24292154
   0.67925813  0.67723595  0.47741805
   0.88292323  0.66857239  0.90624417
   0.68342902  0.92341608  0.61087839
   0.89347867  0.89050092  0.75118147
   0.14899821  0.12424945  0.11932613
   0.38525152  0.19503059  0.28645079
   0.17762102  0.34498128  0.00766640
   0.35975328  0.46413940  0.33592706
   0.52608917  0.39528181  0.19227898
   0.28571766  0.37341105  0.16143034
   0.23105767  0.14306961  0.45011438
  -0.00879332  0.20857857  0.38719727
   0.01076545  0.00231911  0.51960682
   0.44001310  0.23335770  0.81041527
   0.06495165  0.23170168  0.58733358
   0.37313033  0.50808490  0.82851341
   0.49448529  0.42581728  0.68650497
   0.22953184  0.35678802  0.71489429
   0.27885207  0.10750352 -0.06038163
   0.02638950  0.11519926  0.97939022
   0.19839806  0.60586132  0.06887795
   0.38136245  0.71615368  0.28647267
   0.16727704  0.89097572  0.04674049
   0.39743935  0.95348477  0.36947735
   0.45628468  0.93204173  0.18520454
   0.20614037  0.90551509  0.23654849
   0.29418874  0.65317322  0.45530347
   0.07384835  0.54647091  0.39256692
   0.25335206  0.39823220  0.52612472
   0.35449143  0.72774481  0.72471861
   0.08161141  0.75624594  0.50416189
   0.37868651  0.95984857  0.80028777
   0.53259832  0.86745973  0.65232260
   0.24013067  0.90670166  0.62051145
   0.26627048  0.74379020 -0.09580780
   0.02460821  0.70834257  0.95515515
   0.67263147  0.09659880  0.11318911
   0.83889925  0.20570601  0.23110155
   0.61507532  0.33155683  0.00706634
   0.85836924  0.45005384  0.29024821
   0.01930852  0.40043814  0.15188594
   0.75928852  0.50236321  0.13356790
   0.72771602  0.21090740  0.39536821
   0.49329310  0.17683110  0.45403311
   0.70426739  0.09604389  0.57284965
   0.92432886  0.25268625  0.82344105
   0.63946371  0.35327248  0.53975864
   0.88521405  0.51868933  0.85278882
   1.06693470  0.51218574  0.58951118
   0.76421545  0.38485660  0.69461372
   0.78723827  0.08412016  0.93682724
   0.53108377  0.08144353  0.94578648
   0.52992853  0.58844147  0.04693713
   0.92008599  0.71378203  0.28572939
   0.57531261  0.84992329  0.03828075
   0.86248859  0.98420547  0.32222592
   0.96603043  0.90700329  0.16056894
   0.70722556  0.84769904  0.19978899
   0.81920062  0.61765246  0.44424992
   0.55389217  0.62208609  0.40984967
   0.63754888  0.61248032  0.59348871
   0.82511654  0.77731476  0.82480100
   0.69340727  0.84501445  0.48639512
   0.98602269  0.98932935  0.81623129
   1.00424198  0.82700774  0.67697658
   0.75621513  0.97013338  0.72167772
   0.76910739  0.68272880  0.98970963
   0.54004241  0.70217290  0.87911342
   0.78455786  0.81025968  0.60623888
   1.08494798  0.82231870  0.41256112
   0.82645228  0.28800315  0.08419666
   0.77597199  1.12255695  0.19363884
   0.39786774  0.04754764  0.64097125
   0.35783635  0.46401419  0.58980758
   0.54046613  1.34285898 -0.04058155
  -0.12448759  1.44222240  0.00606137
   0.68833959  0.38160227  0.84826604
   0.63061652  0.59856997  0.74326786
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901621    0.101902   -0.233233
    -0.000000    9.623547    0.206909
    -0.000000    0.000000   13.986791
   Si   O    H 
    32    64    10
Direct configuration=  3408
   0.17109032  0.17424157  0.01306874
   0.36851275  0.12540692  0.39010451
   0.16384438  0.44408734  0.10010370
   0.38631516  0.35975293  0.24915212
   0.07861486  0.14957990  0.48848062
   0.40390723  0.09063681  0.87025866
   0.14460707  0.36824788  0.61093806
   0.37831805  0.37947370  0.75973734
   0.17954836  0.74086073 -0.00515935
   0.39257612  0.61769241  0.37579205
   0.11892657  0.95760164  0.14730951
   0.35949007  0.87918322  0.26995941
   0.15595753  0.56512194  0.49206510
   0.38448277  0.67494468  0.83082611
   0.08913493  0.88449622  0.58526288
   0.38282418  0.91060000  0.68782255
   0.67086799  0.15365686  0.99427655
   0.84971769  0.14198919  0.34923440
   0.60621340  0.45953484  0.10426041
   0.86337967  0.37330362  0.17872570
   0.64042965  0.20148482  0.49504681
   0.93397167  0.10940870  0.88625819
   0.64017642  0.45085986  0.63601770
   0.81637820  0.39170022  0.80339760
   0.60689396  0.71073674 -0.01491730
   0.91693576  0.57676416  0.35326516
   0.59862284  0.93766286  0.13415719
   0.86775938  0.85603501  0.24263664
   0.67803117  0.67616543  0.47714393
   0.88446861  0.66760984  0.90612881
   0.68391827  0.92350012  0.61186312
   0.89309713  0.89091286  0.75160040
   0.14993279  0.12504100  0.11955657
   0.38393182  0.19449654  0.28616534
   0.17747220  0.34336854  0.00791642
   0.35996593  0.46245082  0.33440374
   0.52483187  0.39637155  0.19093005
   0.28609451  0.37493795  0.16306861
   0.23197335  0.14431526  0.44964772
  -0.00962303  0.20879893  0.38788627
   0.01022506  0.00071065  0.51924485
   0.44109220  0.23392979  0.81050502
   0.06403218  0.23099305  0.58603392
   0.37204456  0.50851165  0.82726706
   0.49438252  0.42454760  0.68604930
   0.22988476  0.35391769  0.71527062
   0.27771794  0.10991702 -0.06032242
   0.02501445  0.11570599  0.97845733
   0.19840168  0.60779335  0.06867981
   0.38269390  0.71866625  0.28540105
   0.16867414  0.88832575  0.04610824
   0.39679225  0.95363224  0.36796979
   0.45384886  0.93426325  0.18410769
   0.20574354  0.90715132  0.23534014
   0.29310409  0.65325933  0.45715493
   0.07206329  0.54501216  0.39124674
   0.25599163  0.39898731  0.52545539
   0.35395872  0.72832608  0.72566564
   0.08220519  0.75580462  0.50236741
   0.37969086  0.96195181  0.79930425
   0.53279290  0.86767558  0.65219489
   0.24144360  0.90651525  0.61977331
   0.26753683  0.74370938 -0.09540944
   0.02472208  0.70748914  0.95538915
   0.67358458  0.09430256  0.11285207
   0.83696331  0.20431789  0.23140525
   0.61436599  0.33361107  0.00562700
   0.85947854  0.44878390  0.28987473
   0.01779957  0.40336312  0.15171532
   0.75934650  0.50187927  0.13366297
   0.72806556  0.21134509  0.39632540
   0.49165244  0.17753772  0.45287904
   0.70429896  0.09410187  0.57349827
   0.92240842  0.25203983  0.82324417
   0.64015176  0.35414796  0.54007450
   0.88536397  0.51900872  0.85443252
   1.06747365  0.51239473  0.58845953
   0.76511182  0.38362105  0.69655151
   0.78927346  0.08506342  0.93809541
   0.53014699  0.08226935  0.94642386
   0.53068965  0.58631569  0.04677172
   0.91893776  0.71489936  0.28547169
   0.57544167  0.84974105  0.03907342
   0.86271395  0.98130502  0.32221286
   0.96651749  0.90761275  0.16119321
   0.70807220  0.84836434  0.20016866
   0.81981127  0.61729770  0.44503913
   0.55497528  0.62156760  0.40836670
   0.63676419  0.61368507  0.59293272
   0.82557756  0.77659790  0.82647861
   0.69549830  0.84691710  0.48608969
   0.98411022  0.98928507  0.81727576
   1.00292923  0.82662762  0.67792195
   0.75431227  0.97027282  0.72084233
   0.76775294  0.68400335  0.98896669
   0.53995503  0.70349905  0.87834855
   0.78500766  0.80924806  0.60220698
   1.07733270  0.81362844  0.42645425
   0.83743373  0.28566282  0.08181634
   0.76599414  1.12113304  0.19192641
   0.39121919  0.04435044  0.64187129
   0.36409867  0.43248055  0.57240280
   0.54215132  1.33616659 -0.04392647
  -0.13563186  1.44136970  0.01007658
   0.67926089  0.36916269  0.85933553
   0.64285568  0.59540970  0.74434803
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900944    0.101387   -0.234904
    -0.000000    9.623472    0.204907
    -0.000000    0.000000   13.988164
   Si   O    H 
    32    64    10
Direct configuration=  3409
   0.16974466  0.17603044  0.01220344
   0.36765076  0.12421252  0.39012468
   0.16364528  0.44363153  0.09845023
   0.38674805  0.36036524  0.24871902
   0.07883246  0.14978280  0.48862431
   0.40286308  0.08954342  0.87124067
   0.14584979  0.36951485  0.61084989
   0.37692733  0.37955225  0.76112827
   0.17937117  0.74223958 -0.00582202
   0.39074710  0.61620832  0.37570798
   0.11975315  0.95683534  0.14708253
   0.36091840  0.87915780  0.26925956
   0.15585373  0.56483772  0.49289154
   0.38400087  0.67350623  0.83023942
   0.09006497  0.88488179  0.58568256
   0.38415183  0.90980906  0.68845154
   0.67096250  0.15208340  0.99385792
   0.84898708  0.14103442  0.34901114
   0.60461953  0.45961181  0.10567010
   0.86453176  0.37360376  0.17870995
   0.64017011  0.20247243  0.49537676
   0.93480032  0.10877310  0.88566479
   0.64025799  0.45054782  0.63702358
   0.81687850  0.39173722  0.80370085
   0.60555954  0.71139516 -0.01375024
   0.91650257  0.57675578  0.35311093
   0.59825442  0.93859369  0.13320059
   0.86633044  0.85625421  0.24239472
   0.67656677  0.67493350  0.47739560
   0.88553266  0.66742869  0.90616228
   0.68484724  0.92338645  0.61306957
   0.89274448  0.89130981  0.75170326
   0.15135395  0.12491936  0.12028859
   0.38331928  0.19434053  0.28552609
   0.17683068  0.34208412  0.00818053
   0.36084219  0.46049962  0.33348677
   0.52369614  0.39689935  0.18981439
   0.28643056  0.37588627  0.16418770
   0.23215714  0.14618603  0.44974768
  -0.01022262  0.20838885  0.38934338
   0.01027076 -0.00060507  0.51865366
   0.44184964  0.23459308  0.81033065
   0.06349060  0.22971397  0.58489291
   0.37143332  0.50883813  0.82657814
   0.49456416  0.42430812  0.68592214
   0.22964849  0.35130299  0.71581631
   0.27653580  0.11158388 -0.06008220
   0.02359730  0.11571289  0.97713304
   0.19805804  0.60938660  0.06867289
   0.38345271  0.72047570  0.28425886
   0.17017130  0.88598716  0.04599649
   0.39541548  0.95512350  0.36709935
   0.45100971  0.93684475  0.18261592
   0.20491686  0.90847977  0.23486409
   0.29273602  0.65289274  0.45896996
   0.07111701  0.54325830  0.38948024
   0.25931911  0.39933259  0.52491470
   0.35345552  0.72909578  0.72706399
   0.08274397  0.75589914  0.50053001
   0.38027726  0.96330793  0.79885736
   0.53295838  0.86829513  0.65249099
   0.24205525  0.90656613  0.61885838
   0.26871814  0.74341273 -0.09560329
   0.02499504  0.70726485  0.95615133
   0.67375914  0.09211377  0.11255886
   0.83478963  0.20339384  0.23210532
   0.61455670  0.33463221  0.00427435
   0.86080609  0.44823189  0.28983405
   0.01670353  0.40598090  0.15173255
   0.75977927  0.50142628  0.13346180
   0.72798035  0.21213537  0.39788256
   0.49026701  0.17868391  0.45215383
   0.70428025  0.09197042  0.57381071
   0.92049701  0.25200545  0.82306974
   0.64036293  0.35511904  0.54032162
   0.88595528  0.51901759  0.85561144
   1.06883250  0.51312040  0.58781302
   0.76526387  0.38296885  0.69749981
   0.79087318  0.08645944  0.93877699
   0.52993027  0.08308322  0.94695615
   0.53114775  0.58382287  0.04632496
   0.91823487  0.71512587  0.28541437
   0.57544597  0.85053737  0.03970754
   0.86231798  0.97924352  0.32188125
   0.96683833  0.90828248  0.16107019
   0.70809625  0.84905021  0.20062284
   0.82092207  0.61636710  0.44516868
   0.55549637  0.62192861  0.40668704
   0.63591007  0.61494974  0.59192794
   0.82614466  0.77636432  0.82787641
   0.69732317  0.84864739  0.48589390
   0.98195233  0.98984062  0.81859344
   1.00195224  0.82614150  0.67897840
   0.75283087  0.96969972  0.72034088
   0.76708425  0.68466365  0.98873227
   0.53981878  0.70502570  0.87720611
   0.78949580  0.80407981  0.60104352
   1.06910008  0.79634136  0.44530275
   0.84487133  0.28404291  0.07891422
   0.75771940  1.13152820  0.18742503
   0.38941866  0.05065035  0.64023702
   0.36641256  0.40439099  0.55108704
   0.54082768  1.33455724 -0.04791804
  -0.14351448  1.44251680  0.01176307
   0.68008387  0.36016154  0.86430587
   0.65539692  0.58792191  0.74377318
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899803    0.100671   -0.236455
    -0.000000    9.623402    0.203398
    -0.000000    0.000000   13.989791
   Si   O    H 
    32    64    10
Direct configuration=  3410
   0.16857901  0.17713191  0.01152766
   0.36669348  0.12275773  0.39012292
   0.16359663  0.44304731  0.09693862
   0.38698942  0.35962353  0.24844332
   0.07911360  0.15022206  0.48862095
   0.40262184  0.08876507  0.87210401
   0.14687985  0.37072292  0.61114117
   0.37578976  0.37951149  0.76222554
   0.17852795  0.74287480 -0.00612670
   0.38908889  0.61513190  0.37563665
   0.12103128  0.95629211  0.14613871
   0.36200168  0.87910655  0.26793334
   0.15563004  0.56498739  0.49361363
   0.38381042  0.67319236  0.83030221
   0.09102604  0.88536426  0.58551483
   0.38518429  0.90909486  0.68844134
   0.67011773  0.15056772  0.99394427
   0.84862327  0.14043648  0.34854580
   0.60337251  0.46019527  0.10657560
   0.86604595  0.37347822  0.17837314
   0.64030616  0.20285243  0.49539534
   0.93515653  0.10880822  0.88486176
   0.64031510  0.45093489  0.63759104
   0.81721805  0.39137603  0.80432971
   0.60442625  0.71193927 -0.01278887
   0.91648622  0.57686010  0.35289246
   0.59814143  0.93874200  0.13275093
   0.86490964  0.85718794  0.24251958
   0.67497690  0.67320869  0.47771738
   0.88643183  0.66693362  0.90640902
   0.68574550  0.92326430  0.61377358
   0.89234089  0.89148586  0.75181282
   0.15305972  0.12452840  0.12174505
   0.38252867  0.19456369  0.28466645
   0.17603178  0.34204111  0.00789823
   0.36144830  0.45843501  0.33254459
   0.52301298  0.39693720  0.18867709
   0.28552426  0.37617800  0.16461209
   0.23215726  0.14824577  0.44996088
  -0.01027762  0.20804470  0.39065625
   0.01058863 -0.00075937  0.51818336
   0.44224066  0.23619811  0.81043356
   0.06332912  0.22940568  0.58433696
   0.37074080  0.50826062  0.82620388
   0.49414097  0.42399537  0.68525039
   0.22921310  0.34895723  0.71616024
   0.27555027  0.11326787 -0.05982478
   0.02285478  0.11555679  0.97632833
   0.19822714  0.61024649  0.06865982
   0.38400310  0.72124711  0.28363856
   0.17174984  0.88404257  0.04657109
   0.39407935  0.95726367  0.36639385
   0.44900093  0.93898446  0.18046305
   0.20473737  0.90964740  0.23490334
   0.29269187  0.65241090  0.46070693
   0.07009500  0.54185872  0.38842150
   0.26314449  0.39993379  0.52432714
   0.35322765  0.73064785  0.72830101
   0.08422335  0.75538338  0.50088778
   0.38108642  0.96496317  0.79847807
   0.53341686  0.86903100  0.65238727
   0.24214473  0.90599784  0.61796606
   0.26977217  0.74294830 -0.09561649
   0.02481019  0.70672620  0.95726299
   0.67465406  0.09052822  0.11183224
   0.83267553  0.20230320  0.23258446
   0.61408745  0.33533816  0.00231657
   0.86188327  0.44764829  0.29016010
   0.01551688  0.40870676  0.15131356
   0.75995376  0.50041599  0.13304105
   0.72717545  0.21264108  0.39923532
   0.48982425  0.17965427  0.45132041
   0.70406453  0.08958320  0.57447833
   0.91853368  0.25265867  0.82256222
   0.63958739  0.35555081  0.54052137
   0.88709274  0.51840041  0.85667358
   1.06997771  0.51423383  0.58764799
   0.76502769  0.38162925  0.69849452
   0.79311998  0.08760717  0.93914856
   0.53112298  0.08392822  0.94788681
   0.53124116  0.58119049  0.04620287
   0.91738316  0.71552377  0.28532797
   0.57549852  0.85154492  0.04001342
   0.86170304  0.97816409  0.32213440
   0.96815976  0.90934054  0.16105920
   0.70775204  0.84961444  0.20115368
   0.82220995  0.61525339  0.44493081
   0.55571057  0.62242027  0.40547650
   0.63466213  0.61599110  0.59079719
   0.82735449  0.77710843  0.82955923
   0.69853285  0.84877946  0.48507907
   0.98033589  0.99028188  0.81974332
   1.00194564  0.82506717  0.67940266
   0.75126863  0.96894545  0.72012572
   0.76612349  0.68532070  0.98827520
   0.53957525  0.70622312  0.87667397
   0.79560613  0.79977802  0.60341352
   1.05948521  0.79410014  0.44339567
   0.85085139  0.28479836  0.07568867
   0.75383631  1.14732724  0.18358666
   0.39123218  0.06009840  0.63957189
   0.35596521  0.38088825  0.53006646
   0.53743333  1.33424562 -0.04928434
  -0.15672522  1.44773416  0.01097178
   0.68757762  0.35622608  0.86336818
   0.66569074  0.57711531  0.74548517
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898720    0.100269   -0.238085
    -0.000000    9.623210    0.201367
    -0.000000    0.000000   13.991554
   Si   O    H 
    32    64    10
Direct configuration=  3411
   0.16704026  0.17842708  0.01069750
   0.36624817  0.12099192  0.38991949
   0.16322967  0.44273047  0.09595278
   0.38814365  0.35877872  0.24804360
   0.07923022  0.15053851  0.48805141
   0.40247948  0.08785370  0.87330061
   0.14763668  0.37134956  0.61209192
   0.37520400  0.37928128  0.76326250
   0.17786537  0.74355201 -0.00650065
   0.38831096  0.61420625  0.37504207
   0.12196797  0.95594587  0.14501558
   0.36211303  0.87902295  0.26624500
   0.15508522  0.56563087  0.49402459
   0.38427971  0.67347779  0.83064593
   0.09157532  0.88578914  0.58518004
   0.38610343  0.90782409  0.68837792
   0.66901036  0.14932895  0.99406971
   0.84894765  0.13959084  0.34772506
   0.60217914  0.46008918  0.10730903
   0.86746558  0.37342058  0.17845067
   0.64023004  0.20278049  0.49561239
   0.93537658  0.10922661  0.88398845
   0.63977966  0.45146355  0.63816535
   0.81716910  0.39095981  0.80493595
   0.60334959  0.71165593 -0.01202015
   0.91679494  0.57741098  0.35263748
   0.59842884  0.93922782  0.13223566
   0.86337018  0.85838728  0.24260645
   0.67400455  0.67222485  0.47771348
   0.88761313  0.66666743  0.90661805
   0.68596271  0.92259539  0.61361529
   0.89127109  0.89110162  0.75175483
   0.15470811  0.12427396  0.12358311
   0.38181932  0.19462982  0.28399389
   0.17588301  0.34200311  0.00722036
   0.36188030  0.45622554  0.33178793
   0.52239859  0.39613531  0.18768479
   0.28376472  0.37682045  0.16520681
   0.23201353  0.14977502  0.44995660
  -0.01015985  0.20750704  0.39134745
   0.01138071 -0.00081600  0.51792487
   0.44281600  0.23866234  0.81048736
   0.06372270  0.22935560  0.58439145
   0.37043161  0.50809085  0.82593225
   0.49381806  0.42401879  0.68468568
   0.22829279  0.34757522  0.71630524
   0.27452972  0.11502482 -0.05929559
   0.02195337  0.11639580  0.97587365
   0.19840959  0.61071323  0.06896272
   0.38523758  0.72144890  0.28276457
   0.17463776  0.88304185  0.04699347
   0.39257376  0.95921727  0.36564440
   0.44761415  0.94091393  0.17828053
   0.20519664  0.91036176  0.23540423
   0.29240628  0.65169573  0.46263691
   0.06960124  0.54048323  0.38872625
   0.26579931  0.40053852  0.52314781
   0.35326840  0.73105728  0.72958036
   0.08551732  0.75411339  0.50158755
   0.38180062  0.96639353  0.79850522
   0.53391465  0.87020099  0.65257477
   0.24211579  0.90468099  0.61746621
   0.27112127  0.74241398 -0.09537283
   0.02485253  0.70624393  0.95809613
   0.67536249  0.08929879  0.11052859
   0.83013073  0.20176508  0.23299302
   0.61343565  0.33597577  0.00052118
   0.86300973  0.44738393  0.29049970
   0.01486094  0.41121221  0.15103189
   0.75904294  0.49944474  0.13275760
   0.72626551  0.21293721  0.40038553
   0.48893012  0.18061308  0.45133699
   0.70331138  0.08770945  0.57487811
   0.91611628  0.25240725  0.82237875
   0.63881719  0.35581145  0.54053253
   0.88775527  0.51826942  0.85735922
   1.07137094  0.51535713  0.58797133
   0.76476315  0.38161916  0.69907187
   0.79479965  0.08851247  0.93951005
   0.53198544  0.08493580  0.94834682
   0.53107620  0.57943445  0.04632842
   0.91658024  0.71472561  0.28541584
   0.57500820  0.85258631  0.04026226
   0.86109870  0.97728236  0.32261292
   0.96954482  0.91100261  0.16147078
   0.70918091  0.85013885  0.20170203
   0.82325824  0.61381574  0.44452155
   0.55519976  0.62317576  0.40450384
   0.63376303  0.61711889  0.58952663
   0.82794241  0.77729730  0.83050579
   0.69875808  0.84908086  0.48444348
   0.97947646  0.98997301  0.82106888
   1.00179101  0.82466191  0.67944863
   0.75047383  0.96808603  0.71986748
   0.76414784  0.68593528  0.98747360
   0.53981532  0.70729154  0.87643589
   0.80066669  0.79539566  0.60872102
   1.04758046  0.79923798  0.43157857
   0.85983102  0.28317354  0.07341322
   0.75189991  1.16493775  0.17875744
   0.39555791  0.07174380  0.63938360
   0.35881850  0.35837083  0.51280883
   0.53270303  1.33570218 -0.04898488
  -0.17040727  1.45090822  0.01049432
   0.70286451  0.35720734  0.85881252
   0.67479434  0.56627441  0.74747079
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897376    0.099398   -0.239731
    -0.000000    9.623511    0.199392
    -0.000000    0.000000   13.993206
   Si   O    H 
    32    64    10
Direct configuration=  3412
   0.16575911  0.17930000  0.01012712
   0.36592650  0.11987838  0.38953990
   0.16302663  0.44323000  0.09517464
   0.38889160  0.35748470  0.24776474
   0.07890391  0.15092012  0.48743312
   0.40214595  0.08752263  0.87446619
   0.14866060  0.37163110  0.61316768
   0.37538222  0.37904545  0.76388830
   0.17716162  0.74367282 -0.00687525
   0.38768341  0.61352654  0.37443452
   0.12239768  0.95587440  0.14393536
   0.36226476  0.87992501  0.26482826
   0.15461744  0.56672589  0.49411825
   0.38494534  0.67364102  0.83122789
   0.09200486  0.88596846  0.58490873
   0.38737249  0.90660904  0.68854504
   0.66820532  0.14858675  0.99372414
   0.84919786  0.13944531  0.34706276
   0.60144476  0.45977131  0.10719043
   0.86849901  0.37299771  0.17894223
   0.64052347  0.20284861  0.49621434
   0.93503826  0.11068864  0.88315631
   0.63882713  0.45258633  0.63837546
   0.81701401  0.38968950  0.80564030
   0.60239901  0.71109759 -0.01138885
   0.91731798  0.57810182  0.35227985
   0.59842307  0.93892870  0.13214347
   0.86217505  0.85957395  0.24241452
   0.67350830  0.67187968  0.47755368
   0.88839464  0.66623101  0.90718743
   0.68655870  0.92180017  0.61354652
   0.89036157  0.89057549  0.75166678
   0.15662091  0.12321064  0.12579939
   0.38064667  0.19496444  0.28360407
   0.17513948  0.34257677  0.00643074
   0.36242663  0.45464177  0.33198147
   0.52114084  0.39419386  0.18735398
   0.28160512  0.37739550  0.16561734
   0.23171318  0.15084025  0.44961619
  -0.01040085  0.20749833  0.39174666
   0.01202061 -0.00060772  0.51802211
   0.44290388  0.23988043  0.81091814
   0.06435938  0.22957736  0.58519521
   0.37012423  0.50814299  0.82546906
   0.49272071  0.42341044  0.68395010
   0.22693850  0.34648301  0.71615180
   0.27358789  0.11618578 -0.05843891
   0.02229971  0.11772833  0.97523242
   0.19865071  0.60979920  0.06937200
   0.38634459  0.72085740  0.28154375
   0.17720921  0.88281091  0.04789934
   0.39120115  0.96078368  0.36478476
   0.44651581  0.94211615  0.17619273
   0.20522268  0.91155173  0.23576290
   0.29314235  0.65114526  0.46440358
   0.06871269  0.53907371  0.38963601
   0.26818610  0.40089309  0.52276186
   0.35352542  0.73158362  0.73013721
   0.08609416  0.75393554  0.50195322
   0.38242811  0.96778588  0.79887309
   0.53479034  0.87106507  0.65229080
   0.24312021  0.90394071  0.61680873
   0.27361702  0.74172198 -0.09547942
   0.02532116  0.70511301  0.95859774
   0.67541757  0.08871044  0.10934100
   0.82705361  0.20107530  0.23346286
   0.61326595  0.33617647 -0.00142935
   0.86449305  0.44703519  0.29164602
   0.01577528  0.41381138  0.15067269
   0.75820623  0.49769315  0.13254370
   0.72532962  0.21279598  0.40100089
   0.48868231  0.18205988  0.45208255
   0.70192306  0.08586652  0.57508921
   0.91352052  0.25246213  0.82227533
   0.63713317  0.35658797  0.54079134
   0.88859635  0.51757244  0.85885491
   1.07354418  0.51632888  0.58826417
   0.76462725  0.38240427  0.69909354
   0.79641977  0.08833207  0.93999114
   0.53292767  0.08601366  0.94846279
   0.53078843  0.57834845  0.04621461
   0.91575811  0.71431419  0.28568429
   0.57468297  0.85332505  0.03987829
   0.85998528  0.97717067  0.32260966
   0.97074214  0.91225635  0.16120154
   0.71006580  0.85077882  0.20274430
   0.82319855  0.61250418  0.44371626
   0.55345641  0.62386934  0.40287101
   0.63320271  0.61748535  0.58821695
   0.82964536  0.77794670  0.83120984
   0.69872760  0.84828078  0.48388535
   0.97893610  0.98966179  0.82165952
   1.00268006  0.82386594  0.67934977
   0.75038742  0.96761467  0.72008770
   0.76196014  0.68658230  0.98663129
   0.53965878  0.70711301  0.87675889
   0.80340040  0.79709066  0.61488971
   1.04366567  0.79903306  0.43106542
   0.86907515  0.28224022  0.07532218
   0.75155757  1.17263366  0.17797486
   0.39763017  0.07739751  0.63955309
   0.35740941  0.34203216  0.49769676
   0.53758169  1.33830677 -0.04474568
  -0.18392471  1.45569977  0.01096821
   0.71267425  0.36253417  0.85616367
   0.67658455  0.55561671  0.75103304
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896006    0.098281   -0.241683
    -0.000000    9.623935    0.197048
    -0.000000    0.000000   13.995162
   Si   O    H 
    32    64    10
Direct configuration=  3413
   0.16362358  0.17943643  0.00931499
   0.36531679  0.11838747  0.38885708
   0.16266168  0.44436147  0.09523936
   0.38931316  0.35631846  0.24771657
   0.07842487  0.15168658  0.48640901
   0.40172822  0.08765000  0.87548828
   0.14986044  0.37177037  0.61398791
   0.37647365  0.37853463  0.76405940
   0.17640646  0.74353260 -0.00722106
   0.38705552  0.61314380  0.37403632
   0.12268326  0.95564768  0.14301300
   0.36220067  0.88042719  0.26327094
   0.15419767  0.56782137  0.49336456
   0.38586660  0.67373666  0.83208766
   0.09176467  0.88604642  0.58471571
   0.38854416  0.90529255  0.68887121
   0.66770798  0.14832755  0.99339587
   0.84990211  0.13984985  0.34674137
   0.60140992  0.45917690  0.10668546
   0.86947865  0.37221783  0.17924907
   0.64089620  0.20285787  0.49664392
   0.93446585  0.11230748  0.88210685
   0.63793406  0.45382127  0.63827967
   0.81745110  0.38846705  0.80648682
   0.60107766  0.71073068 -0.01102803
   0.91712758  0.57777707  0.35181996
   0.59844358  0.93832651  0.13243483
   0.86170537  0.86087643  0.24225926
   0.67244497  0.67149722  0.47738027
   0.88858884  0.66677294  0.90796543
   0.68794687  0.92099051  0.61369008
   0.89004988  0.88993819  0.75155440
   0.15824058  0.12218993  0.12752721
   0.37908759  0.19536581  0.28338549
   0.17375164  0.34407864  0.00533267
   0.36337767  0.45444750  0.33217843
   0.52001624  0.39189722  0.18751551
   0.27846786  0.37887103  0.16583624
   0.23142810  0.15116422  0.44938029
  -0.01039527  0.20770176  0.39197728
   0.01281723  0.00041164  0.51813869
   0.44286268  0.24105743  0.81207731
   0.06562396  0.23033916  0.58601641
   0.36987016  0.50861646  0.82497485
   0.49080596  0.42231910  0.68335034
   0.22603855  0.34575596  0.71585652
   0.27339999  0.11680426 -0.05797257
   0.02296189  0.11897230  0.97484094
   0.19964410  0.60866358  0.06938340
   0.38660088  0.72004377  0.28071341
   0.17972606  0.88329717  0.04855893
   0.39014522  0.96142785  0.36404052
   0.44570772  0.94369111  0.17396433
   0.20488392  0.91269117  0.23606779
   0.29425290  0.65077000  0.46632020
   0.06787762  0.53807396  0.39055675
   0.27057713  0.40145376  0.52230091
   0.35409744  0.73308925  0.73026444
   0.08666569  0.75392994  0.50187795
   0.38213589  0.96876674  0.79914221
   0.53591841  0.87167911  0.65174813
   0.24393769  0.90186144  0.61595168
   0.27601839  0.74106432 -0.09616042
   0.02541997  0.70440280  0.95907921
   0.67556073  0.08827971  0.10853752
   0.82424649  0.20124396  0.23333968
   0.61402478  0.33617717 -0.00263781
   0.86569432  0.44636518  0.29261020
   0.01648843  0.41689171  0.14991986
   0.75736701  0.49612554  0.13240284
   0.72486111  0.21134085  0.40125892
   0.48783169  0.18334956  0.45296765
   0.70042904  0.08459628  0.57553928
   0.91140196  0.25329301  0.82201859
   0.63435476  0.35669282  0.54157889
   0.88991893  0.51703536  0.85998942
   1.07505831  0.51732942  0.58895920
   0.76537039  0.38318184  0.69910180
   0.79689626  0.08857483  0.94065805
   0.53241391  0.08657021  0.94819703
   0.53096319  0.57748369  0.04579792
   0.91519355  0.71499237  0.28568521
   0.57492027  0.85331373  0.03934212
   0.85952210  0.97693457  0.32278936
   0.97187702  0.91313999  0.16126244
   0.70945384  0.85215490  0.20340729
   0.82254615  0.61158374  0.44315056
   0.55182973  0.62384374  0.40106117
   0.63341541  0.61746449  0.58652889
   0.83109550  0.77896241  0.83191131
   0.69822911  0.84762700  0.48375996
   0.97836794  0.98871567  0.82117371
   1.00297368  0.82397264  0.67879298
   0.75152113  0.96714435  0.72056490
   0.75998866  0.68666684  0.98584328
   0.53979405  0.70700593  0.87742508
   0.80095711  0.80243750  0.62050759
   1.04538272  0.79625086  0.43926773
   0.87755354  0.28311334  0.08323858
   0.75542608  1.17404797  0.17809563
   0.39859195  0.07879006  0.64152805
   0.34681883  0.33423966  0.48609811
   0.53873332  1.33843765 -0.04295125
  -0.19972545  1.46116204  0.01274712
   0.70618418  0.36465917  0.86016663
   0.67480644  0.54904090  0.75404869
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894711    0.097757   -0.243175
    -0.000000    9.623958    0.195050
    -0.000000    0.000000   13.997300
   Si   O    H 
    32    64    10
Direct configuration=  3414
   0.16201336  0.17926609  0.00875760
   0.36545403  0.11780716  0.38828454
   0.16163446  0.44494719  0.09543605
   0.39036633  0.35462761  0.24765235
   0.07764128  0.15225095  0.48524150
   0.40203753  0.08809540  0.87597417
   0.15166606  0.37153527  0.61462743
   0.37815335  0.37809115  0.76393466
   0.17579554  0.74326794 -0.00787779
   0.38655100  0.61266191  0.37442472
   0.12279643  0.95579930  0.14194044
   0.36265928  0.88115841  0.26233035
   0.15438219  0.56947808  0.49251061
   0.38673094  0.67386021  0.83328948
   0.09132782  0.88611597  0.58480932
   0.38977283  0.90428839  0.68876913
   0.66716024  0.14770929  0.99343744
   0.85057539  0.14030236  0.34671754
   0.60162602  0.45836058  0.10565319
   0.87035000  0.37114006  0.17962932
   0.64141528  0.20261718  0.49754437
   0.93339944  0.11407085  0.88109473
   0.63676856  0.45483050  0.63802140
   0.81818191  0.38752292  0.80716551
   0.59987682  0.70970967 -0.01078704
   0.91638279  0.57671866  0.35103035
   0.59841646  0.93760834  0.13271675
   0.86128259  0.86209365  0.24226221
   0.67126866  0.67154783  0.47738241
   0.88803557  0.66763916  0.90820321
   0.68904573  0.92051235  0.61360806
   0.88941127  0.88904511  0.75146567
   0.16051096  0.12095548  0.12904330
   0.37658484  0.19558625  0.28300323
   0.17212990  0.34543080  0.00434003
   0.36399114  0.45537846  0.33201290
   0.51872707  0.38982494  0.18738337
   0.27526641  0.38004129  0.16617110
   0.23134661  0.15229148  0.44947131
  -0.01067559  0.20718422  0.39234918
   0.01340201  0.00159916  0.51836540
   0.44233556  0.24157624  0.81435226
   0.06691532  0.23188471  0.58761142
   0.36917560  0.50855220  0.82488542
   0.48919846  0.42045574  0.68225605
   0.22513382  0.34515420  0.71580450
   0.27369748  0.11696616 -0.05717764
   0.02437482  0.11969089  0.97437090
   0.20062761  0.60693661  0.06978752
   0.38620935  0.71947096  0.28030761
   0.18260276  0.88421238  0.04910668
   0.38858395  0.96149457  0.36336626
   0.44447117  0.94481121  0.17175091
   0.20438136  0.91275056  0.23639824
   0.29513418  0.64986341  0.46799239
   0.06751544  0.53641145  0.39178831
   0.27165616  0.40137760  0.52132796
   0.35491019  0.73464072  0.72984320
   0.08804065  0.75423097  0.50121805
   0.38176402  0.96983160  0.79989459
   0.53701896  0.87289703  0.65065927
   0.24504323  0.90047664  0.61508295
   0.27849997  0.74065021 -0.09685164
   0.02597226  0.70452632  0.95948280
   0.67557474  0.08800245  0.10729012
   0.82186900  0.20106468  0.23323940
   0.61568177  0.33567800 -0.00354145
   0.86648154  0.44582637  0.29313402
   0.01744670  0.42002529  0.14935209
   0.75580702  0.49441092  0.13240419
   0.72458145  0.20909740  0.40117087
   0.48744164  0.18477589  0.45391612
   0.69933073  0.08383303  0.57526588
   0.91014868  0.25385320  0.82150750
   0.63190711  0.35687598  0.54129509
   0.89125838  0.51646348  0.86144302
   1.07598034  0.51869063  0.59016105
   0.76600130  0.38255217  0.69860250
   0.79731663  0.08987716  0.94163428
   0.53196042  0.08764443  0.94804703
   0.53091531  0.57692075  0.04510811
   0.91510061  0.71507428  0.28644976
   0.57503226  0.85337820  0.03893807
   0.85859040  0.97694522  0.32317736
   0.97198378  0.91364556  0.16112104
   0.70895585  0.85437648  0.20388118
   0.82224071  0.60990398  0.44219565
   0.55023814  0.62322912  0.39907440
   0.63430975  0.61645092  0.58464789
   0.83220418  0.77911193  0.83253403
   0.69733884  0.84700085  0.48403096
   0.97873734  0.98747010  0.82062986
   1.00352668  0.82468591  0.67784021
   0.75184739  0.96729389  0.72122158
   0.75862429  0.68588820  0.98585121
   0.53935005  0.70684886  0.87842498
   0.79541484  0.80898346  0.62370646
   1.04977675  0.78840411  0.44922025
   0.88136049  0.28338627  0.09193934
   0.76179504  1.16823587  0.18146882
   0.39878655  0.07450832  0.64142696
   0.32952422  0.33301034  0.48174063
   0.52813369  1.34038114 -0.04614191
  -0.21045239  1.46460213  0.01338709
   0.69224048  0.36282811  0.86629629
   0.67160124  0.54988514  0.75687642
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893310    0.096881   -0.244918
    -0.000000    9.624320    0.192807
    -0.000000    0.000000   13.999381
   Si   O    H 
    32    64    10
Direct configuration=  3415
   0.15982486  0.17935561  0.00828981
   0.36570762  0.11781001  0.38790461
   0.16076101  0.44584220  0.09556246
   0.39068775  0.35269882  0.24747341
   0.07735198  0.15249312  0.48452155
   0.40263057  0.08829925  0.87598039
   0.15266000  0.37175194  0.61542630
   0.37934377  0.37744568  0.76324937
   0.17491291  0.74240087 -0.00792754
   0.38606767  0.61262138  0.37465134
   0.12307988  0.95568370  0.14087933
   0.36260239  0.88157643  0.26110274
   0.15470828  0.57102184  0.49181488
   0.38807406  0.67409053  0.83481219
   0.09046215  0.88533545  0.58527149
   0.39065802  0.90349522  0.68887243
   0.66671210  0.14665808  0.99384345
   0.85130460  0.14038025  0.34669220
   0.60187287  0.45752239  0.10473686
   0.87121280  0.37023433  0.17997394
   0.64147784  0.20317125  0.49843205
   0.93198804  0.11562174  0.87991432
   0.63531155  0.45638855  0.63741834
   0.81798929  0.38661637  0.80752809
   0.59797375  0.70883365 -0.01071004
   0.91604544  0.57576900  0.35032229
   0.59828994  0.93686395  0.13310110
   0.86139122  0.86304215  0.24292896
   0.67105022  0.67143076  0.47722536
   0.88687984  0.66875929  0.90816200
   0.68968456  0.91981786  0.61345167
   0.88844592  0.88774065  0.75104288
   0.16224668  0.11969886  0.13002753
   0.37408252  0.19591070  0.28214024
   0.17038611  0.34587526  0.00302218
   0.36459486  0.45655417  0.33214020
   0.51864051  0.38759920  0.18673839
   0.27219129  0.38110841  0.16651743
   0.23155339  0.15371424  0.44910598
  -0.01150351  0.20662117  0.39243796
   0.01479627  0.00288837  0.51884698
   0.44144980  0.24147696  0.81682848
   0.06856349  0.23310404  0.58900541
   0.36852944  0.50879749  0.82568554
   0.48747298  0.41782220  0.68092533
   0.22447030  0.34457362  0.71530482
   0.27352762  0.11742015 -0.05716518
   0.02642866  0.12018033  0.97384294
   0.20100486  0.60570613  0.07027035
   0.38635119  0.71908878  0.28031057
   0.18519615  0.88434872  0.04927799
   0.38723093  0.96143570  0.36236036
   0.44343545  0.94613499  0.17055700
   0.20430549  0.91258282  0.23683026
   0.29598235  0.64890503  0.46927996
   0.06764532  0.53527286  0.39292636
   0.27209279  0.40117799  0.52014355
   0.35614675  0.73615383  0.72898479
   0.08949698  0.75279813  0.50213553
   0.38143069  0.97016243  0.80050862
   0.53761365  0.87357381  0.64920260
   0.24603494  0.89961019  0.61430078
   0.28029663  0.74070011 -0.09730741
   0.02606148  0.70504425  0.95993084
   0.67569823  0.08799948  0.10593828
   0.82041914  0.20145433  0.23400723
   0.61778406  0.33564714 -0.00436803
   0.86654639  0.44423694  0.29339960
   0.01865719  0.42387261  0.14909138
   0.75425679  0.49210802  0.13177216
   0.72458311  0.20747909  0.40097952
   0.48660008  0.18575506  0.45456843
   0.69716413  0.08369862  0.57483578
   0.90972160  0.25453602  0.82043160
   0.62848796  0.35759274  0.54121248
   0.89298932  0.51642597  0.86311959
   1.07781657  0.52050511  0.59132398
   0.76703425  0.38204453  0.69748212
   0.79696692  0.09217364  0.94227829
   0.53160786  0.08846579  0.94762771
   0.53112136  0.57690708  0.04453469
   0.91519690  0.71500789  0.28692126
   0.57445385  0.85407679  0.03825734
   0.85670078  0.97673097  0.32399767
   0.97181248  0.91378807  0.16100299
   0.70859284  0.85681501  0.20424194
   0.82219761  0.60768325  0.44147654
   0.54913390  0.62289546  0.39765665
   0.63496911  0.61524104  0.58262611
   0.83327467  0.77983355  0.83312077
   0.69642485  0.84533207  0.48426276
   0.97918467  0.98634941  0.81995307
   1.00355509  0.82535152  0.67615076
   0.75276414  0.96796883  0.72194918
   0.75816214  0.68525453  0.98621579
   0.53867717  0.70662624  0.87911773
   0.78967599  0.80908175  0.62694112
   1.03921088  0.78947408  0.43761096
   0.88102268  0.28229109  0.09676760
   0.76616755  1.15374536  0.18062754
   0.40107378  0.06574650  0.64210063
   0.31100944  0.33496734  0.47986746
   0.52500033  1.34201357 -0.04640210
  -0.22207754  1.46830900  0.01689703
   0.68055272  0.36108289  0.86831801
   0.67037595  0.55483902  0.75808912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.892323    0.096420   -0.246101
    -0.000000    9.624408    0.190583
    -0.000000    0.000000   14.001549
   Si   O    H 
    32    64    10
Direct configuration=  3416
   0.15772792  0.17912008  0.00806977
   0.36650454  0.11827361  0.38773275
   0.16002957  0.44712445  0.09515125
   0.38980183  0.35100232  0.24729228
   0.07679960  0.15219685  0.48414586
   0.40348343  0.08822146  0.87610897
   0.15345620  0.37166302  0.61599551
   0.37988742  0.37616359  0.76259274
   0.17434566  0.74176131 -0.00770472
   0.38709043  0.61229581  0.37466334
   0.12291023  0.95522771  0.14012501
   0.36249875  0.88237768  0.26034539
   0.15471865  0.57184548  0.49101451
   0.38937530  0.67490582  0.83563891
   0.09018744  0.88446473  0.58566929
   0.39031049  0.90280985  0.68919450
   0.66673036  0.14630864  0.99425583
   0.85202744  0.14103933  0.34713666
   0.60201182  0.45651676  0.10362324
   0.87137092  0.36940081  0.18025131
   0.64145576  0.20357851  0.49899481
   0.93047570  0.11696698  0.87912751
   0.63381320  0.45811074  0.63667867
   0.81710515  0.38619087  0.80777902
   0.59605875  0.70768642 -0.01072817
   0.91623663  0.57493567  0.34950782
   0.59761711  0.93550543  0.13363679
   0.86130120  0.86413783  0.24361872
   0.67140699  0.67173921  0.47659330
   0.88544165  0.66863674  0.90798794
   0.68966135  0.91847259  0.61313050
   0.88689016  0.88660478  0.75043195
   0.16346807  0.11881400  0.13052344
   0.37211719  0.19684834  0.28111052
   0.16918186  0.34593987  0.00172858
   0.36510382  0.45832133  0.33271537
   0.51896507  0.38517055  0.18644519
   0.26915745  0.38161941  0.16705300
   0.23197229  0.15370607  0.44873470
  -0.01273463  0.20627605  0.39240336
   0.01667957  0.00440449  0.51909242
   0.44040329  0.24096267  0.82001324
   0.07019680  0.23428907  0.58997366
   0.36826924  0.50953299  0.82707719
   0.48597535  0.41616119  0.67994000
   0.22379638  0.34391324  0.71498556
   0.27280471  0.11790721 -0.05703782
   0.02822762  0.12018097  0.97309368
   0.20120135  0.60512904  0.07074226
   0.38658004  0.71930045  0.28048294
   0.18752305  0.88414628  0.04978974
   0.38578272  0.96059007  0.36144398
   0.44297391  0.94745915  0.16971885
   0.20462267  0.91131837  0.23736873
   0.29753133  0.64748674  0.47039851
   0.06748046  0.53525702  0.39423003
   0.27176952  0.40147060  0.51982270
   0.35811855  0.73789495  0.72771913
   0.08987566  0.75186888  0.50259700
   0.38132390  0.97079482  0.80124642
   0.53916597  0.87396024  0.64730755
   0.24700783  0.89968190  0.61442366
   0.28095889  0.74083194 -0.09710013
   0.02686346  0.70491926  0.96034920
   0.67597752  0.08778407  0.10463818
   0.81828639  0.20285018  0.23444526
   0.61914866  0.33564226 -0.00453922
   0.86691584  0.44226985  0.29350376
   0.01934162  0.42790893  0.14859495
   0.75302383  0.48949930  0.13107047
   0.72471569  0.20567800  0.40063359
   0.48514810  0.18617591  0.45558743
   0.69536868  0.08372649  0.57379906
   0.90996375  0.25495422  0.81964925
   0.62576885  0.35795659  0.54134411
   0.89482607  0.51598884  0.86448926
   1.07985820  0.52224643  0.59141445
   0.76903689  0.38226636  0.69645034
   0.79594842  0.09394235  0.94238280
   0.53102044  0.08895726  0.94715499
   0.53079728  0.57756533  0.04455202
   0.91511400  0.71501285  0.28670399
   0.57408160  0.85516373  0.03710749
   0.85368702  0.97743921  0.32469259
   0.97079191  0.91353896  0.16099439
   0.70762402  0.85933258  0.20480129
   0.82151387  0.60619977  0.44133365
   0.54918838  0.62272948  0.39631459
   0.63514911  0.61330301  0.58145312
   0.83485707  0.78087892  0.83331847
   0.69513062  0.84289841  0.48460808
   0.98057134  0.98574586  0.81921632
   1.00375305  0.82750472  0.67508861
   0.75307602  0.96934933  0.72306475
   0.75863973  0.68427916  0.98624487
   0.53776682  0.70676808  0.87979925
   0.78624508  0.80355900  0.62946235
   1.03684187  0.78607264  0.43685949
   0.87817471  0.27326437  0.09821936
   0.76885381  1.13652857  0.18277075
   0.39943890  0.05739234  0.64419902
   0.29804499  0.33345942  0.47555915
   0.53146985  1.34656749 -0.04626971
  -0.23058818  1.47043448  0.02329821
   0.67398036  0.36268593  0.86506978
   0.66717178  0.56213844  0.75480155
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891414    0.095753   -0.246949
    -0.000000    9.624462    0.188627
    -0.000000    0.000000   14.003611
   Si   O    H 
    32    64    10
Direct configuration=  3417
   0.15616270  0.17903120  0.00812877
   0.36780097  0.11835251  0.38726543
   0.15970653  0.44817610  0.09509888
   0.38812174  0.34980772  0.24707728
   0.07662163  0.15233383  0.48373918
   0.40454706  0.08900747  0.87665055
   0.15416976  0.37204145  0.61620172
   0.38053191  0.37598263  0.76211611
   0.17398419  0.74092519 -0.00804511
   0.38776334  0.61216651  0.37470754
   0.12324688  0.95494680  0.13973879
   0.36273952  0.88367798  0.25940723
   0.15508640  0.57230816  0.49045471
   0.39042923  0.67642943  0.83621814
   0.09014701  0.88343000  0.58615141
   0.38923732  0.90279843  0.68942674
   0.66667124  0.14580082  0.99431078
   0.85237523  0.14129472  0.34722223
   0.60158395  0.45481269  0.10267032
   0.87183306  0.36912153  0.18071359
   0.64109853  0.20365993  0.49974590
   0.92910868  0.11789394  0.87880892
   0.63247627  0.45988107  0.63626558
   0.81586677  0.38604624  0.80813603
   0.59444461  0.70721041 -0.01101169
   0.91666151  0.57400200  0.34898062
   0.59729654  0.93444438  0.13415292
   0.86176476  0.86562141  0.24404963
   0.67172233  0.67197420  0.47549052
   0.88367850  0.66861162  0.90788263
   0.68895412  0.91751233  0.61264683
   0.88580899  0.88511974  0.74962045
   0.16486446  0.11796813  0.13091547
   0.37026070  0.19734840  0.28000133
   0.16754657  0.34592399  0.00107156
   0.36563739  0.46005413  0.33418556
   0.51979014  0.38332375  0.18560437
   0.26671486  0.38260303  0.16769362
   0.23203088  0.15332892  0.44788218
  -0.01388642  0.20560378  0.39247724
   0.01854257  0.00563137  0.51928534
   0.43956175  0.24065326  0.82292469
   0.07215455  0.23528821  0.59003525
   0.36814812  0.50968337  0.82920169
   0.48417758  0.41424251  0.67876055
   0.22293447  0.34291140  0.71490894
   0.27344046  0.11749770 -0.05706023
   0.02920255  0.11972530  0.97188619
   0.20176744  0.60570736  0.07105190
   0.38714284  0.72001403  0.28026433
   0.19012637  0.88406822  0.04973684
   0.38454846  0.95953284  0.36065110
   0.44306175  0.94874760  0.16900729
   0.20449365  0.90970937  0.23799492
   0.29907060  0.64609494  0.47124092
   0.06737245  0.53543877  0.39592479
   0.27141846  0.40222418  0.52011335
   0.36043074  0.73931558  0.72625186
   0.08945564  0.75133821  0.50318055
   0.38242636  0.97088546  0.80168005
   0.54068170  0.87431123  0.64500120
   0.24810800  0.90100998  0.61455606
   0.28033243  0.74132571 -0.09677806
   0.02691404  0.70444970  0.96093518
   0.67610045  0.08712828  0.10333160
   0.81529853  0.20408346  0.23489340
   0.61988205  0.33554311 -0.00389181
   0.86733159  0.43976791  0.29319150
   0.02041944  0.43268496  0.14802255
   0.75280535  0.48640924  0.13085527
   0.72558743  0.20430730  0.40028265
   0.48339151  0.18674127  0.45657582
   0.69342255  0.08459316  0.57225878
   0.91041569  0.25536793  0.81856761
   0.62359739  0.35810178  0.54156196
   0.89539988  0.51510209  0.86488520
   1.08289479  0.52422415  0.59229016
   0.77155102  0.38246611  0.69541848
   0.79473932  0.09584419  0.94219340
   0.53018041  0.08992100  0.94660627
   0.53038824  0.57859876  0.04426242
   0.91576379  0.71523503  0.28638420
   0.57379813  0.85597384  0.03658668
   0.85102281  0.97848968  0.32537917
   0.96856637  0.91346321  0.16089209
   0.70704141  0.86137994  0.20510277
   0.82091333  0.60461069  0.44125938
   0.54976674  0.62304353  0.39588128
   0.63554325  0.61077438  0.58026832
   0.83571345  0.78192029  0.83319498
   0.69391904  0.84012069  0.48466041
   0.98254097  0.98523470  0.81869959
   1.00388949  0.82899493  0.67408180
   0.75418616  0.97066501  0.72368567
   0.75925056  0.68295857  0.98573206
   0.53636488  0.70752260  0.88048701
   0.78606010  0.79206332  0.63186837
   1.03886016  0.77779627  0.44369650
   0.87665368  0.26497968  0.09910790
   0.77160441  1.12691505  0.18926993
   0.40117758  0.05003144  0.64636958
   0.28973073  0.32521919  0.46832338
   0.54103545  1.35012500 -0.04569488
  -0.23448286  1.47412017  0.03229121
   0.67521262  0.36266883  0.85465106
   0.66481436  0.56877453  0.75023922
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890801    0.095404   -0.247891
    -0.000000    9.624314    0.186417
    -0.000000    0.000000   14.005231
   Si   O    H 
    32    64    10
Direct configuration=  3418
   0.15528726  0.17799453  0.00870905
   0.36890758  0.11809588  0.38701488
   0.15887370  0.44859558  0.09476665
   0.38634912  0.34931758  0.24706301
   0.07647798  0.15271953  0.48411990
   0.40547897  0.09020951  0.87734570
   0.15512514  0.37242825  0.61626473
   0.38089920  0.37577000  0.76185780
   0.17363648  0.73935413 -0.00812255
   0.38900727  0.61164091  0.37507704
   0.12338301  0.95453523  0.13992030
   0.36339212  0.88425737  0.25866562
   0.15543342  0.57286205  0.49017757
   0.39092205  0.67812209  0.83585371
   0.09090875  0.88184404  0.58645399
   0.38801964  0.90307562  0.68952352
   0.66607632  0.14530864  0.99474194
   0.85182946  0.14168226  0.34746153
   0.60101729  0.45303874  0.10157583
   0.87221259  0.36874460  0.18165321
   0.64046989  0.20453017  0.50055382
   0.92806337  0.11873843  0.87878396
   0.63133663  0.46143559  0.63607271
   0.81419112  0.38596372  0.80867985
   0.59316882  0.70708263 -0.01139380
   0.91682062  0.57335276  0.34867463
   0.59728763  0.93346757  0.13458171
   0.86226752  0.86685072  0.24407001
   0.67181727  0.67314761  0.47424541
   0.88224118  0.66892724  0.90763411
   0.68900719  0.91654437  0.61201995
   0.88478607  0.88402218  0.74837446
   0.16615941  0.11719821  0.13111909
   0.36797058  0.19709749  0.27870467
   0.16605712  0.34528633  0.00040564
   0.36610675  0.46127440  0.33535402
   0.52145885  0.38138011  0.18447978
   0.26476617  0.38283272  0.16828152
   0.23169649  0.15307602  0.44715275
  -0.01462704  0.20386376  0.39254344
   0.02017099  0.00580290  0.51960038
   0.43858130  0.24064509  0.82510579
   0.07298681  0.23545030  0.58959507
   0.36763346  0.50949198  0.83138045
   0.48227754  0.41253282  0.67772851
   0.22273049  0.34183342  0.71520170
   0.27418275  0.11691049 -0.05734685
   0.02874267  0.11920174  0.97009346
   0.20174938  0.60719613  0.07143851
   0.38765518  0.72097563  0.28044444
   0.19272572  0.88482575  0.04968717
   0.38283380  0.95818036  0.36044046
   0.44371583  0.94973054  0.16864903
   0.20508544  0.90791715  0.23819999
   0.30011477  0.64485213  0.47183475
   0.06794508  0.53676285  0.39749156
   0.27020621  0.40203921  0.52039805
   0.36282349  0.74100871  0.72506171
   0.08872081  0.74961716  0.50330488
   0.38394090  0.97116620  0.80188169
   0.54191795  0.87468862  0.64306223
   0.24825361  0.90242107  0.61422142
   0.27995671  0.74248902 -0.09549259
   0.02574541  0.70346680  0.96143342
   0.67632027  0.08548545  0.10170526
   0.81214173  0.20564877  0.23555589
   0.62111904  0.33444938 -0.00238721
   0.86738617  0.43735100  0.29196822
   0.02094240  0.43719206  0.14800288
   0.75293013  0.48420342  0.13080299
   0.72590350  0.20403793  0.40050453
   0.48152924  0.18726233  0.45771681
   0.69180833  0.08518632  0.57112261
   0.91071609  0.25594125  0.81709846
   0.62249236  0.35858208  0.54187642
   0.89678425  0.51354798  0.86498247
   1.08577186  0.52530651  0.59302818
   0.77405094  0.38213305  0.69394051
   0.79311224  0.09726358  0.94146397
   0.53000038  0.09108944  0.94575650
   0.52962533  0.57995764  0.04403020
   0.91620219  0.71633518  0.28581721
   0.57329770  0.85665145  0.03638272
   0.84894755  0.98008506  0.32643118
   0.96692380  0.91384646  0.16111409
   0.70615613  0.86291086  0.20512816
   0.82072152  0.60271827  0.44119132
   0.55062172  0.62369524  0.39597586
   0.63520225  0.60799541  0.57908100
   0.83666701  0.78259826  0.83275636
   0.69207882  0.83731580  0.48499797
   0.98451611  0.98552749  0.81777830
   1.00370576  0.83036853  0.67297498
   0.75447717  0.97218816  0.72442228
   0.75985273  0.68142578  0.98547158
   0.53504141  0.70877778  0.88114991
   0.78085630  0.77897977  0.63354927
   1.04349618  0.76552365  0.44834185
   0.87559586  0.26285196  0.09846953
   0.77437380  1.12513875  0.19174207
   0.40193243  0.04544059  0.64806537
   0.28437672  0.32358601  0.46667092
   0.54904607  1.35486714 -0.04783916
  -0.23636488  1.47901062  0.04553904
   0.68264650  0.36233133  0.84426352
   0.66121230  0.57617947  0.74284513
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890082    0.094402   -0.248401
    -0.000000    9.624800    0.183966
    -0.000000    0.000000   14.006705
   Si   O    H 
    32    64    10
Direct configuration=  3419
   0.15537862  0.17652628  0.00972288
   0.36970979  0.11790160  0.38683690
   0.15798647  0.44917759  0.09502393
   0.38391749  0.34932548  0.24722349
   0.07623701  0.15334989  0.48437879
   0.40632375  0.09121341  0.87726134
   0.15605638  0.37306749  0.61579610
   0.38125728  0.37507961  0.76179412
   0.17376129  0.73830346 -0.00786322
   0.39057229  0.61119995  0.37568564
   0.12363035  0.95414535  0.14008252
   0.36412849  0.88466832  0.25812212
   0.15625315  0.57345726  0.48983762
   0.39127571  0.67966247  0.83502734
   0.09195495  0.88038770  0.58644456
   0.38639425  0.90397767  0.68921234
   0.66494378  0.14559856  0.99481632
   0.85104695  0.14225574  0.34752317
   0.60015192  0.45113104  0.10013572
   0.87344118  0.36803136  0.18271517
   0.63905318  0.20544200  0.50139765
   0.92754980  0.11919909  0.87895112
   0.63050787  0.46221733  0.63625691
   0.81280048  0.38633698  0.80885224
   0.59199438  0.70718961 -0.01216801
   0.91625648  0.57292676  0.34832525
   0.59721859  0.93249333  0.13490320
   0.86300898  0.86812086  0.24409736
   0.67206413  0.67404588  0.47265982
   0.88145540  0.66964270  0.90713748
   0.68878500  0.91561065  0.61153545
   0.88464699  0.88308968  0.74759137
   0.16691012  0.11704412  0.13034660
   0.36527447  0.19623945  0.27801675
   0.16589376  0.34458096 -0.00028980
   0.36597280  0.46173529  0.33646568
   0.52257185  0.37931831  0.18305971
   0.26312957  0.38389692  0.16938431
   0.23138475  0.15229904  0.44624181
  -0.01506984  0.20217447  0.39274058
   0.02173321  0.00576000  0.51944286
   0.43666672  0.24098357  0.82757177
   0.07400111  0.23614388  0.58882829
   0.36659294  0.50926313  0.83355522
   0.48077851  0.41060972  0.67704036
   0.22268845  0.34119365  0.71583468
   0.27566363  0.11589158 -0.05781960
   0.02704458  0.11779479  0.96862211
   0.20106501  0.60896570  0.07136690
   0.38774287  0.72191018  0.28076929
   0.19567103  0.88532854  0.04963842
   0.38058148  0.95726240  0.36054242
   0.44404307  0.95059516  0.16868370
   0.20569778  0.90650302  0.23799355
   0.30124721  0.64351121  0.47221213
   0.06769039  0.53729067  0.39894325
   0.26897407  0.40142431  0.52066142
   0.36473392  0.74220033  0.72473018
   0.08945908  0.74741864  0.50470560
   0.38490047  0.97174744  0.80264730
   0.54209398  0.87513778  0.64122962
   0.24806237  0.90274203  0.61388739
   0.27879710  0.74377483 -0.09401982
   0.02479662  0.70196759  0.96168683
   0.67525657  0.08421366  0.10033491
   0.80944200  0.20734794  0.23625421
   0.62321550  0.33324838 -0.00075541
   0.86615249  0.43455456  0.29047207
   0.02045342  0.44215532  0.14780695
   0.75349471  0.48179099  0.13028731
   0.72591210  0.20423627  0.40110007
   0.47945246  0.18604256  0.45882262
   0.69081370  0.08479982  0.57013638
   0.91182000  0.25600601  0.81501865
   0.62164393  0.35927603  0.54170020
   0.89789458  0.51312159  0.86444531
   1.08849387  0.52588416  0.59307322
   0.77582045  0.38222783  0.69222410
   0.79178223  0.09897016  0.93988415
   0.53050770  0.09230176  0.94545010
   0.52931411  0.58066791  0.04396323
   0.91630536  0.71793364  0.28571459
   0.57265408  0.85687839  0.03667906
   0.84722694  0.98099711  0.32762177
   0.96524698  0.91429647  0.16150793
   0.70536476  0.86389095  0.20470610
   0.82001168  0.60114183  0.44088680
   0.55118699  0.62419581  0.39617204
   0.63432236  0.60528053  0.57758157
   0.83825058  0.78303916  0.83240073
   0.69009050  0.83499812  0.48570929
   0.98629058  0.98577572  0.81733641
   1.00333978  0.83244732  0.67245495
   0.75460714  0.97300772  0.72490416
   0.75903946  0.68012777  0.98506939
   0.53395126  0.71023715  0.88147463
   0.77190284  0.77066846  0.63523844
   1.03264236  0.75781117  0.43787538
   0.87603349  0.26808219  0.09857308
   0.78013620  1.13641159  0.19342483
   0.40481650  0.04679191  0.64790353
   0.27415999  0.32867606  0.47314655
   0.54881300  1.36284294 -0.05274653
  -0.23541005  1.48648203  0.06372399
   0.68500112  0.36387636  0.83444867
   0.65361078  0.57704567  0.73204381
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889778    0.094563   -0.248949
    -0.000000    9.625461    0.181360
    -0.000000    0.000000   14.008358
   Si   O    H 
    32    64    10
Direct configuration=  3420
   0.15623260  0.17566100  0.01101099
   0.37027088  0.11767592  0.38686796
   0.15725193  0.44919118  0.09482961
   0.38178240  0.35019287  0.24749176
   0.07632886  0.15395463  0.48485778
   0.40695935  0.09300177  0.87735772
   0.15700539  0.37428221  0.61573287
   0.38105964  0.37374543  0.76179900
   0.17365275  0.73660779 -0.00716618
   0.39190679  0.61085572  0.37636284
   0.12310551  0.95344585  0.14003959
   0.36517412  0.88532464  0.25778792
   0.15743901  0.57437469  0.48944381
   0.39102055  0.68128688  0.83362284
   0.09302565  0.87920505  0.58619821
   0.38532014  0.90455925  0.68873730
   0.66470741  0.14546485  0.99515202
   0.85010454  0.14261976  0.34775057
   0.59897325  0.44950005  0.09866178
   0.87571413  0.36728029  0.18355169
   0.63774413  0.20680759  0.50202161
   0.92712334  0.11860997  0.87882273
   0.62918069  0.46310057  0.63633242
   0.81177953  0.38675895  0.80853506
   0.59064614  0.70774196 -0.01312296
   0.91552994  0.57285414  0.34836563
   0.59670600  0.93147603  0.13487719
   0.86355943  0.86916473  0.24392417
   0.67246239  0.67434355  0.47088061
   0.88169817  0.67034366  0.90726453
   0.68833423  0.91478695  0.61134191
   0.88479991  0.88286990  0.74714819
   0.16727248  0.11767750  0.12972360
   0.36322937  0.19550596  0.27826143
   0.16648844  0.34368018 -0.00069938
   0.36602678  0.46170780  0.33770662
   0.52350750  0.37765622  0.18109090
   0.26237886  0.38499370  0.17024194
   0.23039680  0.15189185  0.44538240
  -0.01437278  0.20046334  0.39290423
   0.02291608  0.00503034  0.51955804
   0.43443623  0.24303757  0.82942101
   0.07451919  0.23656152  0.58793442
   0.36547092  0.50848008  0.83512419
   0.47858884  0.40839791  0.67706566
   0.22359622  0.34068106  0.71667675
   0.27727372  0.11484076 -0.05772049
   0.02547938  0.11598554  0.96730995
   0.20030063  0.61047284  0.07156683
   0.38850784  0.72189467  0.28063382
   0.19831785  0.88567209  0.04954068
   0.37867698  0.95670975  0.36114256
   0.44473316  0.95111871  0.16895635
   0.20554915  0.90568936  0.23812614
   0.30350936  0.64223836  0.47215000
   0.06703682  0.53755079  0.39969848
   0.26725026  0.40086125  0.52120873
   0.36686388  0.74292777  0.72453574
   0.08955342  0.74599233  0.50600435
   0.38580373  0.97237539  0.80341270
   0.54024622  0.87435961  0.64061329
   0.24721279  0.90217949  0.61309242
   0.27738363  0.74482724 -0.09284992
   0.02360972  0.70105987  0.96145574
   0.67399120  0.08360107  0.09957840
   0.80769312  0.20881486  0.23679516
   0.62579620  0.33187880  0.00078586
   0.86504202  0.43233826  0.28877521
   0.01856150  0.44561861  0.14783720
   0.75402339  0.47954938  0.13071816
   0.72610103  0.20542280  0.40184024
   0.47782078  0.18493670  0.46090230
   0.68958477  0.08418997  0.56954429
   0.91216611  0.25589154  0.81310468
   0.62035424  0.35930112  0.54168647
   0.89859731  0.51170575  0.86472100
   1.09160013  0.52611149  0.59331827
   0.77668856  0.38268798  0.69092811
   0.79013576  0.10050153  0.93873056
   0.53213719  0.09378541  0.94530989
   0.52821356  0.58072641  0.04429608
   0.91651579  0.71928690  0.28606497
   0.57193416  0.85597047  0.03735076
   0.84585021  0.98210329  0.32888507
   0.96403997  0.91498542  0.16169841
   0.70474010  0.86500743  0.20450062
   0.81905692  0.60012239  0.44045700
   0.55185523  0.62525264  0.39704369
   0.63386526  0.60338445  0.57592750
   0.83918554  0.78359277  0.83200942
   0.68852313  0.83359132  0.48677558
   0.98789753  0.98632370  0.81691567
   1.00341249  0.83494210  0.67185031
   0.75463271  0.97346083  0.72479727
   0.75854811  0.67845643  0.98412568
   0.53414693  0.71101631  0.88149541
   0.76270092  0.76589364  0.63822236
   1.02903816  0.75131740  0.43709292
   0.87313862  0.27336516  0.09921682
   0.78636944  1.14441468  0.19042845
   0.40850918  0.05179917  0.64595357
   0.26948662  0.33020979  0.47960804
   0.55269031  1.36618778 -0.05415478
  -0.22603136  1.50287345  0.06703454
   0.67625573  0.36399756  0.82964254
   0.64390259  0.57579928  0.72040198
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.889867    0.094863   -0.249277
    -0.000000    9.625684    0.178523
    -0.000000    0.000000   14.010229
   Si   O    H 
    32    64    10
Direct configuration=  3421
   0.15728190  0.17455951  0.01232178
   0.37038256  0.11793430  0.38664292
   0.15606390  0.44949345  0.09491701
   0.37935759  0.35096074  0.24779065
   0.07604906  0.15446275  0.48529279
   0.40770060  0.09459952  0.87749867
   0.15738668  0.37625765  0.61541260
   0.38065902  0.37302588  0.76204639
   0.17379010  0.73493574 -0.00600191
   0.39332431  0.61146064  0.37668928
   0.12213870  0.95336316  0.14004521
   0.36521929  0.88557307  0.25776853
   0.15867473  0.57504776  0.48963640
   0.39031442  0.68233198  0.83245642
   0.09416571  0.87782455  0.58564916
   0.38450629  0.90525589  0.68818553
   0.66429665  0.14570349  0.99570119
   0.84880248  0.14265413  0.34772977
   0.59713286  0.44776099  0.09691819
   0.87824574  0.36697831  0.18418858
   0.63606787  0.20834901  0.50240828
   0.92685018  0.11765003  0.87882952
   0.62813946  0.46384266  0.63634556
   0.81078648  0.38756045  0.80786204
   0.58938893  0.70810318 -0.01401400
   0.91498289  0.57169967  0.34834758
   0.59582961  0.93019476  0.13521981
   0.86427754  0.86987182  0.24396050
   0.67264673  0.67418500  0.46919956
   0.88188850  0.67088550  0.90730409
   0.68858140  0.91385864  0.61068470
   0.88607745  0.88295906  0.74682176
   0.16787846  0.11886278  0.12849685
   0.36134108  0.19383242  0.27890605
   0.16583830  0.34262054 -0.00073087
   0.36578657  0.46095738  0.33800226
   0.52450287  0.37549284  0.17945997
   0.26167437  0.38638101  0.17103735
   0.22922047  0.15087954  0.44454393
  -0.01404206  0.19874524  0.39274935
   0.02435752  0.00381002  0.51975989
   0.43195821  0.24599923  0.83105718
   0.07562679  0.23716579  0.58690321
   0.36554690  0.50741392  0.83597349
   0.47628079  0.40583359  0.67663967
   0.22426787  0.34055553  0.71750329
   0.27803166  0.11478601 -0.05782188
   0.02414243  0.11440377  0.96686255
   0.20006801  0.61122277  0.07175534
   0.39001989  0.72251028  0.28065380
   0.20049440  0.88574752  0.04947481
   0.37779704  0.95561541  0.36183353
   0.44621100  0.95267674  0.16954876
   0.20545740  0.90496447  0.23804407
   0.30463479  0.64156224  0.47173059
   0.06717630  0.53842064  0.40012131
   0.26554990  0.40119654  0.52242290
   0.36883607  0.74306952  0.72524884
   0.08873882  0.74492971  0.50614855
   0.38724780  0.97283020  0.80327160
   0.53812884  0.87313484  0.64046242
   0.24592696  0.90263866  0.61270643
   0.27601674  0.74650608 -0.09165322
   0.02167229  0.69998182  0.96084065
   0.67291368  0.08344666  0.09887193
   0.80693582  0.21058566  0.23741494
   0.62811825  0.33019742  0.00186056
   0.86434269  0.43091428  0.28749971
   0.01567652  0.44936481  0.14785627
   0.75455668  0.47730615  0.13159360
   0.72633386  0.20628922  0.40264494
   0.47640955  0.18271893  0.46253219
   0.68857103  0.08315487  0.56953488
   0.91289768  0.25623948  0.81156581
   0.61963340  0.35887323  0.54118438
   0.89870647  0.51045697  0.86519187
   1.09475768  0.52623184  0.59381162
   0.77763521  0.38361941  0.69001635
   0.78925500  0.10198101  0.93780620
   0.53441001  0.09448664  0.94542724
   0.52679502  0.58082167  0.04526979
   0.91695484  0.71913484  0.28617365
   0.57076177  0.85558859  0.03772244
   0.84560768  0.98363135  0.33020204
   0.96331503  0.91563866  0.16152263
   0.70491863  0.86601386  0.20432240
   0.81770544  0.59970926  0.43945847
   0.55213168  0.62719778  0.39816070
   0.63354143  0.60288030  0.57435326
   0.83986539  0.78368900  0.83162892
   0.68733909  0.83351432  0.48811261
   0.98875006  0.98684655  0.81657138
   1.00265425  0.83687805  0.67170048
   0.75388989  0.97338937  0.72386248
   0.75853578  0.67644758  0.98321235
   0.53383467  0.71186667  0.88069517
   0.75577022  0.76726119  0.63775926
   1.03211632  0.74618856  0.44428230
   0.87115099  0.27611282  0.09932243
   0.78530305  1.14012149  0.17803786
   0.41192874  0.05695611  0.64359185
   0.27095962  0.31952562  0.47683918
   0.55922119  1.36510130 -0.04983212
  -0.20943879  1.52699720  0.05985514
   0.66541083  0.36258860  0.82937611
   0.63170782  0.57330451  0.71120881
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890394    0.095309   -0.248612
    -0.000000    9.625846    0.175744
    -0.000000    0.000000   14.012320
   Si   O    H 
    32    64    10
Direct configuration=  3422
   0.15874761  0.17340569  0.01325163
   0.37073151  0.11818995  0.38582329
   0.15481449  0.45021900  0.09468319
   0.37734715  0.35182771  0.24773973
   0.07521186  0.15519063  0.48542564
   0.40770645  0.09658280  0.87741039
   0.15760560  0.37732744  0.61519811
   0.38010650  0.37277745  0.76290230
   0.17428068  0.73296628 -0.00487711
   0.39520308  0.61267490  0.37703228
   0.12119280  0.95380597  0.14062853
   0.36508712  0.88535867  0.25763664
   0.15963442  0.57545052  0.48993199
   0.38849763  0.68307453  0.83177224
   0.09542390  0.87671084  0.58485350
   0.38409500  0.90668990  0.68789457
   0.66412900  0.14642673  0.99542415
   0.84696670  0.14305865  0.34785409
   0.59542422  0.44690950  0.09493968
   0.88042282  0.36630560  0.18480812
   0.63343715  0.20918834  0.50262813
   0.92602212  0.11734280  0.87863031
   0.62697754  0.46414048  0.63666446
   0.80941608  0.38819176  0.80720781
   0.58837625  0.70863269 -0.01475265
   0.91434348  0.57105307  0.34861060
   0.59490251  0.92924989  0.13565744
   0.86515033  0.86994591  0.24416346
   0.67267142  0.67362869  0.46819057
   0.88220618  0.67116641  0.90730274
   0.68835797  0.91362246  0.61051818
   0.88804899  0.88351184  0.74665942
   0.16788253  0.11937298  0.12688246
   0.36015670  0.19208425  0.27926580
   0.16501753  0.34168528 -0.00080383
   0.36496245  0.45970853  0.33875660
   0.52542041  0.37286563  0.17821825
   0.26249600  0.38748132  0.17150747
   0.22833478  0.14914959  0.44392684
  -0.01446295  0.19835785  0.39284290
   0.02480933  0.00186915  0.52013442
   0.42942176  0.24959901  0.83238705
   0.07686023  0.23795725  0.58588537
   0.36572218  0.50637883  0.83617545
   0.47441207  0.40369456  0.67602754
   0.22516922  0.34132385  0.71823095
   0.27841129  0.11378654 -0.05815327
   0.02306057  0.11323522  0.96645288
   0.19983294  0.61160120  0.07169845
   0.39124439  0.72248296  0.28046758
   0.20141810  0.88491412  0.04972502
   0.37762669  0.95447480  0.36290255
   0.44716462  0.95395872  0.17018603
   0.20480168  0.90378485  0.23777504
   0.30579946  0.64013188  0.47136815
   0.06593041  0.53975971  0.40039373
   0.26330010  0.40135818  0.52274644
   0.37048564  0.74287363  0.72644013
   0.08788297  0.74474479  0.50552685
   0.38860311  0.97227824  0.80301828
   0.53562138  0.87285299  0.64017781
   0.24482437  0.90307976  0.61214204
   0.27496116  0.74702333 -0.09100352
   0.01960472  0.69931647  0.96032855
   0.67192304  0.08258818  0.09904978
   0.80672830  0.21229456  0.23753060
   0.63014649  0.32946919  0.00345217
   0.86457392  0.43051654  0.28674161
   0.01221130  0.45330191  0.14747138
   0.75439655  0.47593414  0.13188197
   0.72568467  0.20756217  0.40422703
   0.47496786  0.18030798  0.46378683
   0.68828036  0.08224850  0.56953941
   0.91430441  0.25599434  0.81020203
   0.61859538  0.35876099  0.53981065
   0.89946489  0.50949122  0.86578701
   1.09718605  0.52655972  0.59403462
   0.77865813  0.38358530  0.68899346
   0.78784661  0.10413399  0.93688032
   0.53704939  0.09465229  0.94590082
   0.52621544  0.58068455  0.04622302
   0.91681591  0.71845217  0.28628465
   0.56952278  0.85593731  0.03766285
   0.84563798  0.98441935  0.33118703
   0.96307850  0.91620792  0.16153709
   0.70590240  0.86663118  0.20517819
   0.81519198  0.59985149  0.43862014
   0.55247956  0.62900161  0.39998596
   0.63278321  0.60209087  0.57176920
   0.84001935  0.78378394  0.83101032
   0.68562518  0.83371484  0.48956949
   0.98964926  0.98841786  0.81581178
   1.00190096  0.83888938  0.67135314
   0.75322493  0.97332936  0.72300815
   0.75811744  0.67380992  0.98223909
   0.53420728  0.71317998  0.88036187
   0.75030706  0.77840328  0.63802225
   1.03753763  0.74029754  0.45484694
   0.87343850  0.27853790  0.09842332
   0.78114820  1.14245972  0.17174705
   0.41373668  0.05697444  0.64147720
   0.27327205  0.31413807  0.47768290
   0.56842278  1.35883992 -0.04318760
  -0.19609671  1.54693864  0.06189975
   0.66068393  0.36692808  0.83119992
   0.62316634  0.57359829  0.70882344
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891160    0.095154   -0.247325
    -0.000000    9.625451    0.173134
    -0.000000    0.000000   14.014347
   Si   O    H 
    32    64    10
Direct configuration=  3423
   0.16042767  0.17213241  0.01370307
   0.37028511  0.11866089  0.38498087
   0.15460221  0.45094194  0.09427438
   0.37519147  0.35255397  0.24790019
   0.07451340  0.15610661  0.48572920
   0.40813108  0.09852537  0.87740678
   0.15765773  0.37837582  0.61522624
   0.37935704  0.37249435  0.76306319
   0.17468172  0.73071015 -0.00432600
   0.39734697  0.61420642  0.37685534
   0.12014378  0.95422896  0.14108166
   0.36423156  0.88480542  0.25757739
   0.16047076  0.57574070  0.49062596
   0.38672859  0.68345727  0.83152045
   0.09717668  0.87565616  0.58415437
   0.38425466  0.90842331  0.68732849
   0.66410583  0.14682892  0.99538543
   0.84526702  0.14396384  0.34794113
   0.59326171  0.44692618  0.09316505
   0.88321311  0.36611955  0.18530241
   0.63088949  0.20920319  0.50280496
   0.92536845  0.11677840  0.87828599
   0.62587595  0.46396785  0.63713331
   0.80796637  0.38918608  0.80618074
   0.58787112  0.70938749 -0.01523601
   0.91409186  0.57078586  0.34850384
   0.59401541  0.92906004  0.13578475
   0.86607083  0.87014692  0.24429292
   0.67254482  0.67281062  0.46761323
   0.88274857  0.67121238  0.90720280
   0.68869301  0.91312520  0.61013689
   0.89045815  0.88422051  0.74675081
   0.16722409  0.11983047  0.12443163
   0.35925038  0.19033611  0.27986198
   0.16379783  0.34146590 -0.00056388
   0.36308142  0.45850133  0.33942430
   0.52530612  0.36993239  0.17776856
   0.26361008  0.38783718  0.17275119
   0.22771665  0.14784824  0.44410597
  -0.01481891  0.19847469  0.39243930
   0.02572183  0.00001050  0.52030444
   0.42752892  0.25298319  0.83458363
   0.07726396  0.23866844  0.58445658
   0.36580310  0.50539927  0.83617114
   0.47237207  0.40173627  0.67529600
   0.22690731  0.34224464  0.71857115
   0.27842271  0.11275846 -0.05840708
   0.02312898  0.11318142  0.96728832
   0.19976485  0.61225241  0.07234830
   0.39267665  0.72201034  0.27976932
   0.20126546  0.88422911  0.04980146
   0.37785612  0.95313305  0.36416030
   0.44689478  0.95468896  0.17113753
   0.20414642  0.90234750  0.23733013
   0.30754161  0.63931029  0.47077837
   0.06544106  0.54069375  0.40048328
   0.26143380  0.40171265  0.52334749
   0.37267129  0.74196219  0.72765897
   0.08768365  0.74445855  0.50662754
   0.38964380  0.97132171  0.80277258
   0.53230788  0.87271650  0.64018831
   0.24411469  0.90295394  0.61133942
   0.27396122  0.74747235 -0.09103766
   0.01839253  0.69932613  0.95970308
   0.67132082  0.08247801  0.09997843
   0.80648351  0.21385131  0.23718655
   0.63161548  0.32843891  0.00509303
   0.86441004  0.43166089  0.28667196
   0.00896634  0.45747504  0.14700834
   0.75365945  0.47538003  0.13186075
   0.72464694  0.20890135  0.40579570
   0.47440196  0.17910101  0.46498506
   0.68808840  0.08066188  0.56964221
   0.91548852  0.25537111  0.80851933
   0.61776659  0.35957538  0.53873013
   0.90005097  0.50832327  0.86588545
   1.09871462  0.52738434  0.59396912
   0.77888609  0.38416070  0.68836925
   0.78671001  0.10488893  0.93639190
   0.53919482  0.09536159  0.94581218
   0.52597382  0.58079624  0.04700499
   0.91627055  0.71768060  0.28684402
   0.56827588  0.85567221  0.03730688
   0.84600508  0.98441035  0.33189296
   0.96379200  0.91710323  0.16133388
   0.70713917  0.86716551  0.20570113
   0.81322960  0.59985963  0.43739584
   0.55235907  0.63061148  0.40175444
   0.63275409  0.60139049  0.56913317
   0.84008732  0.78394848  0.83028762
   0.68400960  0.83392708  0.49096966
   0.98960636  0.99039711  0.81504256
   1.00146300  0.83993219  0.67153043
   0.75217409  0.97329558  0.72209584
   0.75834974  0.67147223  0.98094130
   0.53492110  0.71495807  0.87986424
   0.75291176  0.78573219  0.63604356
   1.01677566  0.73647387  0.44260528
   0.87759311  0.27750727  0.09690004
   0.77634012  1.15258936  0.17365504
   0.41904065  0.05787309  0.64112533
   0.27582535  0.31208998  0.48162592
   0.56752506  1.35678329 -0.04656355
  -0.18847436  1.56108669  0.06924126
   0.66397175  0.37372604  0.83086455
   0.61697420  0.57821068  0.71436954
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.891941    0.094495   -0.245259
    -0.000000    9.625409    0.170346
    -0.000000    0.000000   14.016544
   Si   O    H 
    32    64    10
Direct configuration=  3424
   0.16263519  0.17130708  0.01384472
   0.36973936  0.11860175  0.38435222
   0.15469499  0.45098373  0.09427976
   0.37328190  0.35265757  0.24793469
   0.07420896  0.15640990  0.48645087
   0.40787666  0.09978178  0.87696969
   0.15790848  0.37895102  0.61540060
   0.37873964  0.37257123  0.76284010
   0.17461683  0.72911920 -0.00403329
   0.39943802  0.61603409  0.37681132
   0.11930695  0.95494484  0.14100388
   0.36322059  0.88405173  0.25774709
   0.16205539  0.57599144  0.49172052
   0.38459265  0.68352374  0.83136840
   0.09815645  0.87453093  0.58352721
   0.38511209  0.90975518  0.68659357
   0.66396904  0.14727505  0.99538193
   0.84400654  0.14447139  0.34792885
   0.59161846  0.44726017  0.09123476
   0.88626897  0.36513572  0.18588136
   0.62848998  0.20849710  0.50260724
   0.92475694  0.11608899  0.87756726
   0.62499546  0.46424692  0.63764313
   0.80625821  0.39018256  0.80529092
   0.58741858  0.71001250 -0.01543408
   0.91357737  0.57093678  0.34843105
   0.59380330  0.92907032  0.13579337
   0.86748195  0.87029291  0.24442139
   0.67261995  0.67150679  0.46763451
   0.88219125  0.67083802  0.90702268
   0.68839906  0.91294594  0.61013926
   0.89229404  0.88577653  0.74689060
   0.16604666  0.12062586  0.12158636
   0.35792527  0.18937526  0.28037815
   0.16260919  0.34157782  0.00047359
   0.36134563  0.45812485  0.33969618
   0.52376152  0.36711477  0.17779679
   0.26396895  0.38801846  0.17406940
   0.22659350  0.14624159  0.44414269
  -0.01537985  0.19901825  0.39130255
   0.02691073 -0.00188218  0.52064354
   0.42583498  0.25595984  0.83671226
   0.07721146  0.23960181  0.58337948
   0.36573282  0.50492857  0.83610115
   0.47166613  0.40032647  0.67422742
   0.22794131  0.34313089  0.71887553
   0.27755348  0.11185052 -0.05805809
   0.02406723  0.11357485  0.96830774
   0.19981422  0.61192970  0.07318134
   0.39469974  0.72041214  0.27864690
   0.20077867  0.88372298  0.05055830
   0.37886492  0.95147377  0.36517099
   0.44619688  0.95515126  0.17215604
   0.20311776  0.90135587  0.23682224
   0.30935898  0.63931540  0.46954642
   0.06440430  0.54144702  0.39974705
   0.26005615  0.40178421  0.52362613
   0.37428871  0.74021665  0.72878903
   0.08711974  0.74380247  0.50674008
   0.39127547  0.97172006  0.80335408
   0.52975223  0.87302750  0.64028217
   0.24402609  0.90157150  0.61092317
   0.27257432  0.74835240 -0.09097356
   0.01840918  0.70019275  0.95984224
   0.67048075  0.08233765  0.10117040
   0.80734203  0.21441652  0.23681736
   0.63315253  0.32738964  0.00622638
   0.86432155  0.43280613  0.28737843
   0.00680132  0.46181124  0.14570166
   0.75332567  0.47498650  0.13148658
   0.72305932  0.21002618  0.40694049
   0.47324870  0.17738106  0.46598828
   0.68793760  0.07962241  0.56982281
   0.91687400  0.25531340  0.80804004
   0.61665610  0.36040979  0.53751805
   0.90018821  0.50815882  0.86586105
   1.09960149  0.52854789  0.59391258
   0.77898098  0.38487147  0.68796692
   0.78506352  0.10598410  0.93606967
   0.54010618  0.09568273  0.94541750
   0.52630880  0.58115395  0.04813326
   0.91531405  0.71640717  0.28732218
   0.56732689  0.85458240  0.03683754
   0.84633881  0.98306530  0.33264878
   0.96387038  0.91765066  0.16116708
   0.70729907  0.86751099  0.20666967
   0.81088215  0.60032564  0.43565662
   0.55167948  0.63176906  0.40312462
   0.63256156  0.60036746  0.56608937
   0.83908877  0.78319692  0.82987405
   0.68309527  0.83488990  0.49225464
   0.99017864  0.99238109  0.81425656
   1.00112480  0.83968140  0.67215270
   0.75274630  0.97293105  0.72123343
   0.75770354  0.66952216  0.98031209
   0.53580515  0.71654469  0.87921656
   0.76078794  0.78961486  0.63588413
   1.00461123  0.73703176  0.44019225
   0.88217190  0.27491386  0.09137735
   0.77023899  1.16100535  0.18019556
   0.42146808  0.06010946  0.64368743
   0.27876226  0.31408625  0.48758136
   0.56826915  1.35547621 -0.05306532
  -0.19263159  1.56927192  0.07993793
   0.66414652  0.38015036  0.83236696
   0.61296069  0.57859364  0.72295657
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893089    0.094539   -0.243595
    -0.000000    9.625423    0.167685
    -0.000000    0.000000   14.019036
   Si   O    H 
    32    64    10
Direct configuration=  3425
   0.16476311  0.17047570  0.01347869
   0.36932977  0.11835424  0.38435867
   0.15560499  0.45100534  0.09413805
   0.37205015  0.35286080  0.24847481
   0.07363143  0.15670570  0.48683439
   0.40709173  0.10080603  0.87650440
   0.15841964  0.37943972  0.61581679
   0.37811780  0.37282484  0.76279496
   0.17443898  0.72851506 -0.00396286
   0.40090660  0.61750662  0.37662453
   0.11954262  0.95553994  0.14103266
   0.36175257  0.88294693  0.25814240
   0.16390778  0.57653261  0.49253938
   0.38275380  0.68335239  0.83178138
   0.09849387  0.87379325  0.58261130
   0.38616010  0.91080166  0.68548116
   0.66374721  0.14763620  0.99590494
   0.84272062  0.14526816  0.34812428
   0.59073159  0.44708129  0.08953362
   0.88890146  0.36393130  0.18614766
   0.62557062  0.20735745  0.50241576
   0.92411801  0.11549289  0.87678541
   0.62429727  0.46401629  0.63844919
   0.80535456  0.39113454  0.80406025
   0.58741628  0.71057659 -0.01587973
   0.91361744  0.57087304  0.34847054
   0.59378681  0.92902433  0.13619052
   0.86865608  0.86937767  0.24469305
   0.67228074  0.67041822  0.46765915
   0.88145143  0.66997105  0.90657147
   0.68812637  0.91263028  0.60994548
   0.89292413  0.88781842  0.74696861
   0.16447246  0.12104730  0.11964084
   0.35768046  0.18878565  0.28077562
   0.16209322  0.34270493  0.00149643
   0.35966463  0.45729913  0.33967810
   0.52187027  0.36470962  0.17809455
   0.26361769  0.38821047  0.17422278
   0.22621419  0.14500571  0.44474620
  -0.01543224  0.19964867  0.38989537
   0.02759792 -0.00328569  0.52110452
   0.42534696  0.25804800  0.83874181
   0.07765039  0.24107593  0.58228816
   0.36566332  0.50457012  0.83579567
   0.47162369  0.39836329  0.67313460
   0.22882037  0.34358159  0.71880630
   0.27638463  0.11196453 -0.05788679
   0.02540736  0.11390865  0.96935203
   0.19987276  0.61033622  0.07373444
   0.39569626  0.71855588  0.27793137
   0.19990718  0.88330313  0.05163548
   0.38063796  0.94962750  0.36581409
   0.44497219  0.95599797  0.17305075
   0.20181938  0.90078591  0.23640017
   0.31168966  0.63873392  0.46861598
   0.06411704  0.54151514  0.39863182
   0.25943504  0.40169857  0.52382533
   0.37542880  0.73835782  0.72920040
   0.08593833  0.74271976  0.50629736
   0.39222061  0.97233296  0.80400037
   0.52806945  0.87313091  0.64017533
   0.24458139  0.90024628  0.61089413
   0.27154295  0.74838117 -0.09103340
   0.01863719  0.70057203  0.96029203
   0.66989189  0.08195364  0.10274897
   0.80930198  0.21410664  0.23639217
   0.63422466  0.32639557  0.00659864
   0.86471659  0.43402548  0.28755747
   0.00475433  0.46598449  0.14475448
   0.75247337  0.47500201  0.13063326
   0.72097646  0.21071599  0.40753452
   0.47235743  0.17496878  0.46690265
   0.68843552  0.07880307  0.57013255
   0.91792866  0.25544527  0.80807078
   0.61614186  0.36152464  0.53599199
   0.89944842  0.50815858  0.86507114
   1.10028084  0.52992217  0.59461608
   0.77865223  0.38598713  0.68744858
   0.78433025  0.10680857  0.93566266
   0.54065360  0.09446641  0.94483804
   0.52675396  0.58153111  0.04827957
   0.91458867  0.71533930  0.28846907
   0.56593343  0.85338981  0.03637756
   0.84762422  0.98155581  0.33313803
   0.96284791  0.91808096  0.16102371
   0.70758784  0.86726257  0.20729634
   0.80925205  0.59969344  0.43378979
   0.55166934  0.63222860  0.40427867
   0.63207723  0.59888957  0.56428539
   0.83856927  0.78294102  0.82929017
   0.68129708  0.83655037  0.49344187
   0.98914630  0.99468528  0.81370073
   1.00189164  0.84048458  0.67246502
   0.75354621  0.97261593  0.72029803
   0.75700904  0.66769421  0.97983889
   0.53605715  0.71799116  0.87865886
   0.77553375  0.78464283  0.63695707
   1.00338095  0.74050957  0.44662280
   0.88495970  0.27473200  0.08948801
   0.76044190  1.16630152  0.18386520
   0.42242981  0.06126078  0.64689970
   0.28331273  0.31920116  0.49365588
   0.56955065  1.35121950 -0.05437416
  -0.20249153  1.56618694  0.09239337
   0.66629423  0.38653913  0.83291696
   0.61421588  0.57327242  0.72711510
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.894107    0.094203   -0.242037
    -0.000000    9.624768    0.165016
    -0.000000    0.000000   14.021675
   Si   O    H 
    32    64    10
Direct configuration=  3426
   0.16648866  0.17017308  0.01307246
   0.36827184  0.11740959  0.38459485
   0.15603704  0.45058682  0.09404435
   0.37136231  0.35337050  0.24869318
   0.07407988  0.15604670  0.48701689
   0.40623020  0.10147368  0.87627056
   0.15885861  0.37980149  0.61673561
   0.37684735  0.37360720  0.76264396
   0.17455118  0.72811945 -0.00362976
   0.40240207  0.61927436  0.37635243
   0.11986803  0.95584983  0.14111980
   0.36046703  0.88135996  0.25900339
   0.16539920  0.57730306  0.49331789
   0.38093994  0.68321614  0.83242923
   0.09846582  0.87288877  0.58211735
   0.38661795  0.91295094  0.68445526
   0.66313129  0.14765541  0.99726224
   0.84148354  0.14621408  0.34805733
   0.59049708  0.44680177  0.08831621
   0.89131095  0.36282669  0.18618286
   0.62331151  0.20651587  0.50274940
   0.92398826  0.11461461  0.87585291
   0.62387588  0.46387389  0.63950676
   0.80517186  0.39176507  0.80239951
   0.58714308  0.71119285 -0.01609726
   0.91310625  0.57025926  0.34800670
   0.59424844  0.92918125  0.13629012
   0.86906954  0.86799936  0.24558768
   0.67201627  0.66932644  0.46757676
   0.88105156  0.66877153  0.90594114
   0.68803898  0.91245679  0.60977367
   0.89357425  0.88964591  0.74665186
   0.16339258  0.12067511  0.11866621
   0.35677276  0.18802553  0.28054810
   0.16133117  0.34345143  0.00286285
   0.35871753  0.45617591  0.33981682
   0.52042302  0.36331063  0.17825866
   0.26289011  0.38830865  0.17341937
   0.22564212  0.14389346  0.44530607
  -0.01472272  0.20027297  0.38833110
   0.02830310 -0.00371535  0.52164542
   0.42497671  0.26026882  0.84019306
   0.07808389  0.24287853  0.58156446
   0.36531915  0.50436142  0.83557632
   0.47197529  0.39653306  0.67292073
   0.22937947  0.34406338  0.71807007
   0.27623568  0.11199236 -0.05798476
   0.02731088  0.11394893  0.97036511
   0.20090344  0.60770324  0.07421110
   0.39630378  0.71636138  0.27777868
   0.19953238  0.88240227  0.05241770
   0.38232502  0.94942902  0.36601805
   0.44383597  0.95754128  0.17440437
   0.20033237  0.90037474  0.23577712
   0.31386689  0.63883322  0.46748557
   0.06445109  0.54254879  0.39713675
   0.26026359  0.40224236  0.52411451
   0.37633665  0.73652909  0.72969270
   0.08308832  0.74084311  0.50558523
   0.39232564  0.97324263  0.80455662
   0.52696508  0.87382233  0.63990585
   0.24580658  0.89934081  0.61137245
   0.27034655  0.74847944 -0.09176236
   0.01858031  0.70111564  0.96063496
   0.66915024  0.08148955  0.10406752
   0.81094115  0.21430269  0.23608843
   0.63496068  0.32558624  0.00656811
   0.86541146  0.43508504  0.28774286
   0.00362960  0.47026365  0.14318946
   0.75184433  0.47537829  0.12942428
   0.71965081  0.21214580  0.40762945
   0.47154389  0.17198099  0.46796132
   0.68873745  0.07860997  0.57026041
   0.91800206  0.25465306  0.80871305
   0.61619556  0.36292500  0.53552895
   0.89824630  0.50861210  0.86432483
   1.10039207  0.53153590  0.59576690
   0.77897725  0.38790520  0.68723386
   0.78385537  0.10740101  0.93492385
   0.54072088  0.09291096  0.94419139
   0.52631781  0.58215935  0.04911262
   0.91408169  0.71534315  0.28930922
   0.56443934  0.85195467  0.03572964
   0.84901558  0.98023309  0.33310122
   0.96276999  0.91875143  0.16103283
   0.70800982  0.86611638  0.20806314
   0.80823384  0.59963980  0.43214844
   0.55170635  0.63213330  0.40427893
   0.63258311  0.59664372  0.56299486
   0.83829627  0.78268627  0.82864797
   0.67912764  0.83820265  0.49472977
   0.98777718  0.99678299  0.81301508
   1.00291458  0.84113947  0.67211473
   0.75316279  0.97307544  0.71953987
   0.75649377  0.66567403  0.97968374
   0.53657770  0.71912441  0.87860854
   0.78975718  0.78070963  0.63846991
   1.01295224  0.74639878  0.46096505
   0.88602757  0.27400495  0.09370301
   0.75048257  1.16826974  0.18277257
   0.42150698  0.06020806  0.64952928
   0.28986836  0.31231836  0.49667662
   0.57499386  1.34044691 -0.05104947
  -0.21794440  1.55367380  0.10689847
   0.67009654  0.39194547  0.83505945
   0.61866958  0.56748127  0.72758444
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895193    0.094597   -0.239971
    -0.000000    9.623258    0.162109
    -0.000000    0.000000   14.024507
   Si   O    H 
    32    64    10
Direct configuration=  3427
   0.16801877  0.17002132  0.01201590
   0.36715512  0.11653142  0.38524867
   0.15637180  0.45005131  0.09402429
   0.37120018  0.35390497  0.24898534
   0.07442043  0.15567224  0.48723136
   0.40497463  0.10250387  0.87588149
   0.15919853  0.38005657  0.61822878
   0.37563553  0.37387803  0.76239639
   0.17494558  0.72838188 -0.00283637
   0.40316802  0.62066358  0.37579781
   0.12039606  0.95654334  0.14089539
   0.35938757  0.87961695  0.26042131
   0.16753262  0.57744578  0.49417702
   0.37881907  0.68266044  0.83327581
   0.09847711  0.87222975  0.58139832
   0.38667054  0.91548611  0.68321800
   0.66374873  0.14702880  0.99875268
   0.84028709  0.14716045  0.34864860
   0.59072169  0.44622971  0.08790573
   0.89316153  0.36233354  0.18547637
   0.62168683  0.20574867  0.50327520
   0.92429371  0.11387308  0.87501553
   0.62306665  0.46410109  0.64002363
   0.80633442  0.39187737  0.80086706
   0.58752495  0.71191104 -0.01642095
   0.91254021  0.56927590  0.34771916
   0.59418416  0.92919831  0.13565022
   0.86907143  0.86632526  0.24662881
   0.67248279  0.66874455  0.46791396
   0.88126384  0.66740086  0.90546807
   0.68844357  0.91152503  0.60911471
   0.89364890  0.89165400  0.74615079
   0.16282620  0.11984696  0.11832677
   0.35643199  0.18800195  0.27975745
   0.16026736  0.34416375  0.00458953
   0.35766369  0.45500963  0.33907712
   0.51844821  0.36313200  0.17850345
   0.26174845  0.38895722  0.17242290
   0.22586562  0.14343068  0.44547423
  -0.01382838  0.20065652  0.38693827
   0.02913290 -0.00501380  0.52225087
   0.42458050  0.26219819  0.84182348
   0.07824449  0.24520263  0.58129326
   0.36422216  0.50484003  0.83540625
   0.47231153  0.39497603  0.67280243
   0.22957127  0.34510240  0.71737313
   0.27587660  0.11131752 -0.05814062
   0.02920233  0.11338433  0.97112709
   0.20237074  0.60566328  0.07472750
   0.39685298  0.71414639  0.27745901
   0.19895204  0.88042398  0.05320418
   0.38444574  0.94985038  0.36629789
   0.44336433  0.95856754  0.17520943
   0.19865152  0.90088039  0.23563277
   0.31560364  0.63880188  0.46732958
   0.06495818  0.54264906  0.39595374
   0.26164284  0.40343262  0.52409218
   0.37655938  0.73407848  0.72956706
   0.08092500  0.73912183  0.50514283
   0.39300753  0.97441218  0.80483321
   0.52642277  0.87457835  0.63964263
   0.24713196  0.89875241  0.61183240
   0.26884489  0.74861218 -0.09247846
   0.01939981  0.70202487  0.96132957
   0.66864752  0.08187545  0.10594353
   0.81198204  0.21382552  0.23626589
   0.63505745  0.32434852  0.00662529
   0.86643396  0.43558492  0.28800643
   0.00340941  0.47418376  0.14156714
   0.75077450  0.47396016  0.12830897
   0.71851583  0.21317682  0.40731319
   0.47063955  0.16868400  0.46919719
   0.68919052  0.07842939  0.56989639
   0.91865994  0.25484170  0.80966122
   0.61629350  0.36468588  0.53500083
   0.89812171  0.50872171  0.86375599
   1.10015910  0.53371446  0.59697959
   0.77926066  0.38950440  0.68665918
   0.78404487  0.10816328  0.93446087
   0.53980927  0.09130816  0.94397109
   0.52609074  0.58289844  0.04987841
   0.91404469  0.71488942  0.28969769
   0.56394184  0.85093316  0.03618066
   0.85030117  0.97890170  0.33238273
   0.96218534  0.91970125  0.16072995
   0.70844398  0.86563401  0.20856001
   0.80777387  0.59970210  0.43014580
   0.55214281  0.63295948  0.40427651
   0.63354691  0.59501760  0.56232600
   0.83856023  0.78232238  0.82790104
   0.67666885  0.83905652  0.49506162
   0.98593490  0.99824552  0.81289231
   1.00392521  0.84069098  0.67117541
   0.75359306  0.97329897  0.71825379
   0.75497301  0.66388527  0.97990819
   0.53698846  0.71987947  0.87825063
   0.79852182  0.77772083  0.63512937
   1.00819479  0.75341829  0.46567987
   0.89136799  0.27592494  0.10128286
   0.74106687  1.16761081  0.18217475
   0.41606361  0.06039008  0.65144696
   0.29685604  0.30728157  0.49682044
   0.57608499  1.33109041 -0.04738454
  -0.22007702  1.56928435  0.11268867
   0.66909820  0.39796458  0.83717038
   0.62268771  0.56394349  0.72325098
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.896415    0.094325   -0.237585
    -0.000000    9.621484    0.159637
    -0.000000    0.000000   14.027123
   Si   O    H 
    32    64    10
Direct configuration=  3428
   0.16933318  0.17012316  0.01090828
   0.36658429  0.11540758  0.38589163
   0.15638017  0.44951572  0.09388296
   0.37175530  0.35431172  0.24936754
   0.07487423  0.15459149  0.48726349
   0.40355002  0.10302493  0.87547160
   0.15907860  0.38042331  0.61948685
   0.37487441  0.37492523  0.76223600
   0.17489117  0.72923443 -0.00153479
   0.40379039  0.62145642  0.37526944
   0.12079075  0.95675347  0.14069638
   0.35845100  0.87825351  0.26204232
   0.16884126  0.57689281  0.49484740
   0.37643322  0.68198173  0.83470832
   0.09803149  0.87102012  0.58054885
   0.38681290  0.91779026  0.68240784
   0.66470396  0.14656467  1.00018423
   0.83867024  0.14711494  0.34899656
   0.59097515  0.44509101  0.08798400
   0.89465779  0.36189890  0.18459558
   0.62033547  0.20530037  0.50413303
   0.92513317  0.11342618  0.87437729
   0.62225060  0.46420625  0.63997171
   0.80793663  0.39160739  0.79981754
   0.58885955  0.71266656 -0.01729012
   0.91191656  0.56844352  0.34703754
   0.59384297  0.92935247  0.13504394
   0.86926369  0.86486512  0.24726544
   0.67374029  0.66896799  0.46852877
   0.88116718  0.66573883  0.90505693
   0.68896616  0.91031402  0.60881420
   0.89314174  0.89334396  0.74600239
   0.16206129  0.11890818  0.11869710
   0.35595680  0.18787750  0.27931519
   0.15985332  0.34499038  0.00640590
   0.35710934  0.45439463  0.33809081
   0.51653388  0.36277746  0.17889992
   0.26015046  0.38932836  0.17096246
   0.22626666  0.14295898  0.44513269
  -0.01248186  0.20116489  0.38595402
   0.02974688 -0.00474442  0.52260078
   0.42412092  0.26340550  0.84307370
   0.07856478  0.24728606  0.58112304
   0.36256418  0.50608869  0.83587809
   0.47232963  0.39248702  0.67270433
   0.23038884  0.34677769  0.71673050
   0.27636782  0.11101141 -0.05852854
   0.02982999  0.11274907  0.97177275
   0.20331585  0.60392224  0.07486893
   0.39666381  0.71349507  0.27734649
   0.19773563  0.87799693  0.05324284
   0.38600529  0.95048825  0.36668976
   0.44282065  0.95903465  0.17573843
   0.19729462  0.90101058  0.23543083
   0.31649638  0.63909479  0.46738020
   0.06604263  0.54279102  0.39592864
   0.26324264  0.40353852  0.52452314
   0.37712708  0.73188363  0.72922471
   0.08018356  0.73737014  0.50556855
   0.39420904  0.97578381  0.80495125
   0.52724458  0.87588508  0.63937374
   0.24844128  0.89822302  0.61221748
   0.26708949  0.74931310 -0.09275343
   0.02019973  0.70310262  0.96171106
   0.66805770  0.08143139  0.10809815
   0.81262855  0.21299388  0.23591349
   0.63561117  0.32329179  0.00712904
   0.86803268  0.43528163  0.28792079
   0.00378952  0.47788720  0.14055426
   0.74926485  0.47236372  0.12702095
   0.71700553  0.21383836  0.40693882
   0.46987255  0.16516624  0.46908620
   0.68979520  0.07812752  0.57000394
   0.91956819  0.25527934  0.81103990
   0.61571520  0.36579252  0.53492064
   0.89822093  0.50815807  0.86286081
   1.09942241  0.53616919  0.59805139
   0.77986825  0.39063839  0.68611085
   0.78453927  0.10922545  0.93380970
   0.53807343  0.09077602  0.94359886
   0.52555052  0.58311736  0.04998591
   0.91419469  0.71364894  0.28952779
   0.56321332  0.85035237  0.03625026
   0.85147015  0.97792402  0.33172182
   0.96179146  0.92077123  0.16072295
   0.70932318  0.86458272  0.20845705
   0.80673770  0.59996392  0.42816480
   0.55323053  0.63367911  0.40383639
   0.63366211  0.59320783  0.56200568
   0.83851863  0.78168813  0.82742110
   0.67510822  0.83932750  0.49505415
   0.98485478  0.99857655  0.81216014
   1.00493430  0.84021549  0.67053653
   0.75492308  0.97377983  0.71747709
   0.75335246  0.66157802  0.98020648
   0.53657249  0.72012972  0.87757153
   0.80077079  0.77842271  0.63135663
   0.98625289  0.76347167  0.46091735
   0.89901101  0.27574657  0.10981301
   0.74302555  1.16577612  0.18450974
   0.41007844  0.06478721  0.65193530
   0.29920270  0.30994818  0.49949464
   0.56573765  1.32823283 -0.05508417
  -0.21942001  1.57787022  0.11772960
   0.67006238  0.40278854  0.83626891
   0.62616791  0.56353936  0.71970328
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.897412    0.094547   -0.235007
    -0.000000    9.619833    0.157076
    -0.000000    0.000000   14.029796
   Si   O    H 
    32    64    10
Direct configuration=  3429
   0.17007671  0.17035715  0.00993929
   0.36632181  0.11388332  0.38664130
   0.15642441  0.44944912  0.09339676
   0.37273123  0.35461786  0.24929958
   0.07541584  0.15348622  0.48695210
   0.40224357  0.10317127  0.87516505
   0.15880275  0.38124178  0.61999637
   0.37499428  0.37613023  0.76217354
   0.17484502  0.73032404 -0.00025464
   0.40404273  0.62183083  0.37459375
   0.12134957  0.95644049  0.14065600
   0.35816040  0.87686571  0.26378008
   0.16934251  0.57567502  0.49537711
   0.37387006  0.68080827  0.83602523
   0.09776197  0.87011348  0.58037585
   0.38721750  0.91957160  0.68171179
   0.66591642  0.14617070  1.00140237
   0.83696824  0.14721733  0.34978777
   0.59068610  0.44367706  0.08902254
   0.89552149  0.36189144  0.18428012
   0.61978494  0.20483215  0.50485923
   0.92656750  0.11332703  0.87396909
   0.62199070  0.46408360  0.63979883
   0.81050934  0.39062746  0.79907413
   0.59026406  0.71359323 -0.01852428
   0.91153660  0.56736260  0.34688194
   0.59350032  0.92924726  0.13464524
   0.86960565  0.86310913  0.24800420
   0.67522877  0.66989170  0.46904199
   0.88052625  0.66449697  0.90462154
   0.68940779  0.90902274  0.60835011
   0.89287265  0.89455013  0.74603069
   0.16167854  0.11764626  0.11983787
   0.35545035  0.18864766  0.27872724
   0.15910028  0.34576708  0.00796988
   0.35726762  0.45420231  0.33776724
   0.51527164  0.36330640  0.17963655
   0.25822257  0.38954934  0.16988170
   0.22760284  0.14242205  0.44443300
  -0.01132278  0.20151853  0.38569193
   0.02994654 -0.00367703  0.52217578
   0.42401411  0.26455552  0.84470883
   0.07823527  0.24990127  0.58082032
   0.36127144  0.50846638  0.83566382
   0.47123312  0.39012567  0.67249002
   0.23101550  0.34764334  0.71614183
   0.27706787  0.11110215 -0.05871829
   0.02986762  0.11245219  0.97240992
   0.20438247  0.60272990  0.07477681
   0.39708761  0.71281210  0.27720548
   0.19534173  0.87575108  0.05293280
   0.38683891  0.95168225  0.36668690
   0.44292404  0.95904583  0.17608657
   0.19641234  0.90112142  0.23571593
   0.31748611  0.63967193  0.46784092
   0.06668343  0.54289954  0.39586527
   0.26442039  0.40321624  0.52506538
   0.37698993  0.73022797  0.72885904
   0.07968069  0.73610166  0.50554458
   0.39574651  0.97760066  0.80521508
   0.52842243  0.87706264  0.63884144
   0.24981015  0.89740863  0.61256310
   0.26529797  0.74915788 -0.09347698
   0.02130100  0.70423283  0.96182647
   0.66672411  0.08170710  0.10975762
   0.81278147  0.21231031  0.23570618
   0.63542773  0.32199165  0.00758704
   0.86919729  0.43514562  0.28812562
   0.00414644  0.48076682  0.14025771
   0.74755721  0.47081615  0.12588874
   0.71497667  0.21355644  0.40621281
   0.46902799  0.16261740  0.46912239
   0.69028961  0.07809024  0.56915857
   0.92023386  0.25654017  0.81197434
   0.61554439  0.36675163  0.53516257
   0.89805378  0.50735536  0.86182779
   1.09886555  0.53876286  0.59947453
   0.78065818  0.39133939  0.68538362
   0.78480422  0.10982143  0.93331404
   0.53654807  0.09047134  0.94315730
   0.52435387  0.58382494  0.04976346
   0.91423095  0.71261664  0.28936068
   0.56364904  0.85022033  0.03673266
   0.85267660  0.97737102  0.33105143
   0.96166512  0.92204215  0.15992907
   0.71022473  0.86389098  0.20868394
   0.80638374  0.59986964  0.42598885
   0.55402349  0.63390645  0.40323853
   0.63397579  0.59136438  0.56174059
   0.83821708  0.78141651  0.82608838
   0.67316004  0.83871056  0.49529722
   0.98450534  0.99874798  0.81122398
   1.00530690  0.84031074  0.67060034
   0.75567234  0.97491015  0.71655022
   0.75114445  0.65947706  0.98052937
   0.53534826  0.72076968  0.87636134
   0.79851488  0.78113924  0.62433621
   0.97597997  0.76632967  0.46084304
   0.90997346  0.26736277  0.11030918
   0.75101826  1.16357345  0.19067843
   0.40121093  0.06915548  0.64813653
   0.29943364  0.31613516  0.50467424
   0.55778359  1.32637202 -0.05747192
  -0.21842372  1.57714789  0.12250604
   0.67369061  0.40612861  0.83683762
   0.62881900  0.57395275  0.71688327
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898051    0.094767   -0.232538
    -0.000000    9.618244    0.154688
    -0.000000    0.000000   14.032225
   Si   O    H 
    32    64    10
Direct configuration=  3430
   0.17051999  0.17036579  0.00907857
   0.36583614  0.11197571  0.38736814
   0.15609067  0.44954277  0.09295496
   0.37295210  0.35536687  0.24941065
   0.07589273  0.15216023  0.48612023
   0.40051384  0.10244961  0.87460386
   0.15864399  0.38149313  0.61981283
   0.37527805  0.37726278  0.76245427
   0.17445088  0.73099721  0.00123082
   0.40365350  0.62213594  0.37379084
   0.12157276  0.95675577  0.14019128
   0.35859594  0.87554337  0.26545566
   0.16960396  0.57455268  0.49568456
   0.37132796  0.67971145  0.83724451
   0.09776668  0.86914082  0.58048443
   0.38796399  0.92073957  0.68143352
   0.66677298  0.14547382  1.00291656
   0.83571509  0.14755801  0.35042283
   0.58992690  0.44251169  0.09026536
   0.89669968  0.36212434  0.18381406
   0.61967950  0.20443025  0.50541805
   0.92770193  0.11404784  0.87456477
   0.62213257  0.46446292  0.63918758
   0.81319453  0.38974759  0.79882340
   0.59214725  0.71349451 -0.01985868
   0.91155104  0.56656368  0.34707752
   0.59288823  0.92897778  0.13428253
   0.87015732  0.86181222  0.24808863
   0.67683887  0.67074550  0.46953074
   0.88056467  0.66315081  0.90419534
   0.69047248  0.90791492  0.60828659
   0.89303547  0.89493776  0.74581711
   0.16255252  0.11645430  0.12097543
   0.35465742  0.18927458  0.27838651
   0.15859486  0.34560762  0.00923109
   0.35785493  0.45480171  0.33795623
   0.51404677  0.36420123  0.18107492
   0.25721236  0.38907462  0.16934280
   0.22901331  0.14223354  0.44419696
  -0.01046161  0.20130184  0.38583320
   0.03051771 -0.00234600  0.52102266
   0.42400592  0.26533389  0.84577983
   0.07764626  0.25200258  0.58038978
   0.35954143  0.51058707  0.83515207
   0.47074865  0.38815920  0.67237537
   0.23131698  0.34759828  0.71549123
   0.27769113  0.11118796 -0.05884816
   0.02869741  0.11223079  0.97232526
   0.20532025  0.60149446  0.07432265
   0.39757096  0.71166787  0.27753636
   0.19356916  0.87387741  0.05255132
   0.38805878  0.95242575  0.36609790
   0.44348428  0.95747164  0.17634810
   0.19577832  0.90106852  0.23652462
   0.31774204  0.63966081  0.46807249
   0.06651589  0.54334107  0.39594026
   0.26538521  0.40260119  0.52594759
   0.37652845  0.72884054  0.72885762
   0.07803709  0.73599574  0.50509437
   0.39778756  0.97875536  0.80505501
   0.53002601  0.87812875  0.63826488
   0.25113327  0.89702105  0.61255109
   0.26322290  0.74841802 -0.09492617
   0.02167041  0.70487557  0.96166014
   0.66497946  0.08231996  0.11156332
   0.81282729  0.21143388  0.23636498
   0.63518730  0.32008136  0.00734339
   0.86994537  0.43518915  0.28792700
   0.00414983  0.48276905  0.13968607
   0.74538885  0.46876465  0.12449224
   0.71357507  0.21434365  0.40552990
   0.46899055  0.16040857  0.46864947
   0.68964906  0.07812064  0.56790833
   0.92058525  0.25877258  0.81308922
   0.61518295  0.36739219  0.53493702
   0.89715998  0.50759238  0.86030922
   1.09892156  0.54073286  0.60069196
   0.78103870  0.39212749  0.68466080
   0.78526758  0.11011169  0.93331911
   0.53574614  0.09068791  0.94357293
   0.52300063  0.58428686  0.04923584
   0.91519555  0.71180501  0.28922906
   0.56430016  0.85090594  0.03799839
   0.85400537  0.97701353  0.33047096
   0.96166862  0.92337171  0.15929530
   0.71074700  0.86282389  0.20952013
   0.80632069  0.59966835  0.42484838
   0.55537342  0.63396682  0.40177476
   0.63443930  0.58987549  0.56111232
   0.83803619  0.78082194  0.82428772
   0.67110437  0.83757532  0.49559344
   0.98392524  0.99824709  0.80962318
   1.00671799  0.84039282  0.67066175
   0.75642206  0.97622679  0.71569723
   0.75000124  0.65835210  0.98011641
   0.53372549  0.72122405  0.87527902
   0.79083266  0.78425294  0.61534869
   0.98307343  0.76066513  0.46577279
   0.92007733  0.25534973  0.10713918
   0.76029717  1.15663947  0.19455862
   0.39144615  0.07126597  0.64582116
   0.30093117  0.31611313  0.50802298
   0.55873877  1.32057406 -0.05834287
  -0.22054309  1.56499615  0.12650055
   0.67785458  0.40621430  0.83512681
   0.62894893  0.58310502  0.71478264
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.899168    0.095405   -0.230706
    -0.000000    9.616808    0.151875
    -0.000000    0.000000   14.034575
   Si   O    H 
    32    64    10
Direct configuration=  3431
   0.17043341  0.17067588  0.00854200
   0.36519961  0.11083070  0.38774973
   0.15548556  0.45010380  0.09263873
   0.37344056  0.35573658  0.24948971
   0.07641532  0.15059647  0.48541345
   0.39942577  0.10143579  0.87434683
   0.15811629  0.38203319  0.61940345
   0.37589633  0.37823525  0.76306065
   0.17398095  0.73133451  0.00205245
   0.40340487  0.62127844  0.37274504
   0.12097468  0.95656678  0.13986338
   0.35943030  0.87517886  0.26706862
   0.16912150  0.57346096  0.49536301
   0.36951546  0.67881954  0.83863409
   0.09836246  0.86839452  0.58071218
   0.38789444  0.92151106  0.68130557
   0.66701682  0.14466424  1.00439859
   0.83553926  0.14741389  0.35076860
   0.58847622  0.44200109  0.09117240
   0.89766563  0.36184832  0.18331770
   0.62007336  0.20405523  0.50581809
   0.92857198  0.11530783  0.87533810
   0.62271265  0.46515434  0.63867945
   0.81563627  0.38926250  0.79830796
   0.59337185  0.71349070 -0.02101746
   0.91221750  0.56604918  0.34730909
   0.59182477  0.92885389  0.13438837
   0.86965033  0.86066197  0.24822829
   0.67842564  0.67184337  0.46990281
   0.88048837  0.66174043  0.90374322
   0.69184991  0.90690759  0.60811059
   0.89330423  0.89478651  0.74534260
   0.16388445  0.11569130  0.12162194
   0.35396629  0.19011786  0.27856006
   0.15802298  0.34534671  0.01005319
   0.35851223  0.45590300  0.33842607
   0.51319561  0.36536958  0.18176332
   0.25696601  0.38921759  0.16943647
   0.23001655  0.14243316  0.44376664
  -0.00995297  0.20077887  0.38615978
   0.03130410 -0.00064777  0.51977842
   0.42434560  0.26617083  0.84635049
   0.07678876  0.25337259  0.58006493
   0.35745274  0.51234011  0.83557371
   0.47070832  0.38593271  0.67178586
   0.23104429  0.34793776  0.71485932
   0.27830603  0.11103657 -0.05856324
   0.02698379  0.11150010  0.97153032
   0.20569221  0.60061596  0.07317361
   0.39812984  0.71105458  0.27757770
   0.19215931  0.87262342  0.05272872
   0.38877667  0.95283672  0.36567134
   0.44408769  0.95650895  0.17692189
   0.19638970  0.90142220  0.23739865
   0.31769310  0.63992034  0.46775481
   0.06663123  0.54389861  0.39660146
   0.26546389  0.40294445  0.52660716
   0.37604192  0.72838421  0.72928471
   0.07584428  0.73679026  0.50399922
   0.39909830  0.97882194  0.80472221
   0.53222438  0.87918129  0.63733527
   0.25279387  0.89649852  0.61177005
   0.26095829  0.74806060 -0.09557910
   0.02219746  0.70599584  0.96100057
   0.66369451  0.08339935  0.11299801
   0.81309173  0.21137986  0.23743669
   0.63512887  0.31893187  0.00665651
   0.87104065  0.43522931  0.28784079
   0.00447410  0.48397628  0.13914136
   0.74348548  0.46760620  0.12324500
   0.71241049  0.21413787  0.40499712
   0.46876260  0.15843749  0.46834594
   0.68869584  0.07852065  0.56633917
   0.92071147  0.26061333  0.81411575
   0.61473320  0.36702471  0.53458227
   0.89702292  0.50773360  0.85911538
   1.09985395  0.54273301  0.60151557
   0.78189830  0.39294016  0.68455539
   0.78615363  0.10929970  0.93323330
   0.53544916  0.09078671  0.94411789
   0.52244010  0.58364893  0.04867161
   0.91601235  0.71230559  0.28858495
   0.56419783  0.85138254  0.03827414
   0.85523405  0.97705113  0.32987585
   0.96154565  0.92439897  0.15871435
   0.71059460  0.86134427  0.20948641
   0.80543466  0.59883876  0.42418069
   0.55583826  0.63383965  0.40036928
   0.63446017  0.58838814  0.56121057
   0.83848598  0.78051161  0.82242824
   0.66973744  0.83589677  0.49613829
   0.98396173  0.99732762  0.80788988
   1.00777182  0.84070545  0.67105947
   0.75633274  0.97691797  0.71524241
   0.74858387  0.65749085  0.97944617
   0.53136598  0.72121150  0.87416043
   0.78171307  0.78426759  0.61054793
   1.00397048  0.74929000  0.47586722
   0.93040633  0.24713056  0.10526493
   0.76545926  1.14452450  0.19052864
   0.38069041  0.07230579  0.64210415
   0.30596417  0.30804990  0.50750509
   0.56256279  1.31452815 -0.05805903
  -0.22213871  1.55301392  0.12757579
   0.68173462  0.40744616  0.83596273
   0.62663869  0.58957316  0.71179361
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.900054    0.095493   -0.228681
    -0.000000    9.615534    0.149065
    -0.000000    0.000000   14.037137
   Si   O    H 
    32    64    10
Direct configuration=  3432
   0.16935838  0.17088992  0.00786097
   0.36438782  0.11002450  0.38831727
   0.15456556  0.45126158  0.09249641
   0.37391842  0.35637780  0.24944724
   0.07661594  0.14936447  0.48426282
   0.39909293  0.10055990  0.87427127
   0.15758561  0.38299867  0.61879893
   0.37638115  0.37982834  0.76380498
   0.17312818  0.73135205  0.00302978
   0.40329739  0.62026035  0.37161618
   0.12040318  0.95671513  0.13951040
   0.35982043  0.87486020  0.26833925
   0.16816109  0.57264643  0.49460639
   0.36793349  0.67861918  0.83948475
   0.09894984  0.86827824  0.58109297
   0.38818861  0.92245105  0.68122445
   0.66717349  0.14389317  1.00512689
   0.83512636  0.14730497  0.35086851
   0.58692839  0.44168225  0.09193514
   0.89865401  0.36175468  0.18287678
   0.62134656  0.20409283  0.50572707
   0.92973944  0.11740369  0.87630204
   0.62344537  0.46578508  0.63848712
   0.81824335  0.38920861  0.79770563
   0.59467458  0.71386490 -0.02214106
   0.91329650  0.56552276  0.34751606
   0.59123960  0.92836647  0.13484123
   0.86909441  0.85948894  0.24783687
   0.67926970  0.67315837  0.47000060
   0.88051695  0.66080389  0.90292091
   0.69244670  0.90657716  0.60785759
   0.89311868  0.89437673  0.74498215
   0.16513003  0.11508135  0.12235925
   0.35323423  0.19101777  0.27907853
   0.15703546  0.34464546  0.01032742
   0.35960458  0.45706588  0.33887129
   0.51199247  0.36657973  0.18216342
   0.25683961  0.38903987  0.16996884
   0.23004577  0.14339385  0.44361054
  -0.00995134  0.19993643  0.38660069
   0.03172831  0.00015367  0.51840801
   0.42496565  0.26750983  0.84724000
   0.07545569  0.25501090  0.57922735
   0.35542128  0.51326310  0.83531897
   0.47187402  0.38332538  0.67165020
   0.23148058  0.34796667  0.71507473
   0.27941325  0.11019012 -0.05793046
   0.02473403  0.11028035  0.97030305
   0.20656879  0.60016644  0.07173440
   0.39819974  0.71101952  0.27648387
   0.19066478  0.87166760  0.05352933
   0.38943327  0.95287993  0.36503041
   0.44447183  0.95571200  0.17720627
   0.19728254  0.90132028  0.23833536
   0.31778921  0.64097936  0.46761070
   0.06715303  0.54539881  0.39693085
   0.26536483  0.40295755  0.52697049
   0.37499204  0.72820088  0.72954225
   0.07708231  0.73785300  0.50404472
   0.40039572  0.97935935  0.80415816
   0.53498924  0.87994998  0.63584037
   0.25433666  0.89578408  0.61026190
   0.25901758  0.74819584 -0.09563273
   0.02235659  0.70671372  0.96048636
   0.66299183  0.08471396  0.11387778
   0.81214641  0.21199118  0.23768668
   0.63417660  0.31868388  0.00564715
   0.87148463  0.43555916  0.28701900
   0.00561772  0.48547242  0.13857569
   0.74252886  0.46488998  0.12210153
   0.71166462  0.21405093  0.40447112
   0.46869749  0.15682546  0.46810164
   0.68839540  0.07846107  0.56472063
   0.92101591  0.26223868  0.81512676
   0.61486882  0.36547929  0.53419159
   0.89755927  0.50827401  0.85766577
   1.10093604  0.54471375  0.60174558
   0.78233192  0.39361833  0.68465673
   0.78756848  0.10901878  0.93310914
   0.53496738  0.09012719  0.94485054
   0.52178638  0.58267033  0.04819276
   0.91599523  0.71290001  0.28806669
   0.56447213  0.85198180  0.03807619
   0.85644437  0.97728944  0.32968167
   0.96112667  0.92570931  0.15847541
   0.71007250  0.85954530  0.20924887
   0.80505826  0.59836670  0.42414059
   0.55652993  0.63320354  0.39913919
   0.63396911  0.58760838  0.56165632
   0.83912659  0.77893367  0.82044656
   0.66833398  0.83472183  0.49576205
   0.98494670  0.99660706  0.80642128
   1.00889153  0.84047566  0.67139332
   0.75699527  0.97702971  0.71431021
   0.74773590  0.65624780  0.97825444
   0.52826319  0.72198127  0.87367451
   0.77788818  0.78159313  0.61213186
   0.97316272  0.74679045  0.46190844
   0.93845526  0.24325092  0.10578124
   0.77131747  1.13879438  0.18631535
   0.37171179  0.07468788  0.63896791
   0.30927365  0.30754598  0.50727687
   0.57019831  1.31168419 -0.05496896
  -0.21634115  1.56154447  0.13032175
   0.68272797  0.40654527  0.83794830
   0.62199912  0.58774942  0.71018459
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901267    0.095445   -0.227061
    -0.000000    9.614614    0.146326
    -0.000000    0.000000   14.039817
   Si   O    H 
    32    64    10
Direct configuration=  3433
   0.16809794  0.17161570  0.00751810
   0.36377894  0.10980422  0.38868546
   0.15335835  0.45316914  0.09279406
   0.37375043  0.35663130  0.24916238
   0.07662906  0.14869963  0.48334205
   0.39897952  0.10034102  0.87412327
   0.15796970  0.38412774  0.61821453
   0.37660858  0.38141634  0.76486641
   0.17195694  0.73095452  0.00381222
   0.40387904  0.61875128  0.37045293
   0.11981798  0.95751732  0.13945371
   0.36036043  0.87484102  0.26920695
   0.16697561  0.57238275  0.49391277
   0.36582478  0.67868709  0.83983742
   0.09920760  0.86846794  0.58133396
   0.38858167  0.92346927  0.68089972
   0.66696916  0.14274722  1.00548593
   0.83463514  0.14717442  0.35107421
   0.58540956  0.44083833  0.09272048
   0.89952624  0.36123832  0.18242914
   0.62291170  0.20462077  0.50586148
   0.93141317  0.11905787  0.87720872
   0.62402722  0.46597376  0.63895806
   0.82053129  0.38944512  0.79706804
   0.59586833  0.71416744 -0.02284068
   0.91478116  0.56492463  0.34808100
   0.59017282  0.92784205  0.13608158
   0.86881495  0.85885764  0.24731157
   0.67991182  0.67427324  0.47038659
   0.88063693  0.65991596  0.90223853
   0.69223736  0.90670631  0.60792398
   0.89279038  0.89396636  0.74435387
   0.16595455  0.11445412  0.12315254
   0.35269547  0.19211128  0.27985355
   0.15686685  0.34380900  0.00967890
   0.36083069  0.45831801  0.34019056
   0.51200152  0.36816782  0.18213182
   0.25684752  0.38913090  0.17081117
   0.22943361  0.14392812  0.44331391
  -0.01069497  0.19931370  0.38715595
   0.03223991  0.00096745  0.51788499
   0.42588730  0.26901052  0.84763840
   0.07445452  0.25498972  0.57864793
   0.35363863  0.51359704  0.83565182
   0.47320480  0.38152551  0.67147647
   0.23108436  0.34776939  0.71520097
   0.28108075  0.10970041 -0.05785827
   0.02236591  0.10928344  0.96978975
   0.20836894  0.60147582  0.06989157
   0.39831239  0.71088843  0.27571348
   0.18932292  0.87006180  0.05489014
   0.39127445  0.95264839  0.36378768
   0.44520904  0.95367662  0.17769351
   0.19796445  0.90081251  0.23925315
   0.31660847  0.64110541  0.46735883
   0.06725773  0.54716305  0.39740359
   0.26626512  0.40232995  0.52729661
   0.37273935  0.72851874  0.73012046
   0.07629548  0.73930322  0.50357802
   0.40188570  0.98035616  0.80335217
   0.53697480  0.88034128  0.63417177
   0.25475176  0.89473128  0.60865933
   0.25663216  0.74811713 -0.09537877
   0.02191019  0.70681858  0.95970962
   0.66177743  0.08562998  0.11495997
   0.81206942  0.21197425  0.23735510
   0.63286661  0.31771676  0.00425122
   0.87261742  0.43542098  0.28613117
   0.00613904  0.48590695  0.13774603
   0.74211531  0.46202057  0.12147542
   0.71132667  0.21334622  0.40381138
   0.46855292  0.15623960  0.46851815
   0.68862422  0.07878348  0.56315466
   0.92189482  0.26397600  0.81613371
   0.61482571  0.36349006  0.53423212
   0.89836055  0.50853488  0.85666100
   1.10266605  0.54617181  0.60194497
   0.78291009  0.39439001  0.68444746
   0.78731458  0.10895625  0.93334079
   0.53516958  0.08980528  0.94577425
   0.52212749  0.58099589  0.04753849
   0.91558935  0.71311378  0.28741535
   0.56475931  0.85237079  0.03800197
   0.85768783  0.97726745  0.32982764
   0.96007685  0.92711471  0.15854467
   0.70900706  0.85780836  0.20902093
   0.80477068  0.59821441  0.42422216
   0.55791710  0.63272537  0.39795691
   0.63337398  0.58778890  0.56174333
   0.84013180  0.77757686  0.81827484
   0.66758983  0.83380832  0.49466182
   0.98613551  0.99608722  0.80587166
   1.00862331  0.83973682  0.67161764
   0.75738423  0.97773187  0.71372709
   0.74777589  0.65549740  0.97679415
   0.52544806  0.72227347  0.87353488
   0.77963788  0.77476894  0.62006911
   0.96039258  0.74371070  0.45294503
   0.94093695  0.24585093  0.11136953
   0.77901874  1.14169383  0.18259986
   0.36691073  0.07342928  0.63873800
   0.30869780  0.31169227  0.50677738
   0.58056210  1.31083765 -0.05249045
  -0.21245114  1.56239924  0.13141145
   0.67977884  0.40398892  0.83957045
   0.62027947  0.58070421  0.71012113
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.902478    0.095312   -0.224703
    -0.000000    9.613643    0.143186
    -0.000000    0.000000   14.042731
   Si   O    H 
    32    64    10
Direct configuration=  3434
   0.16704912  0.17202074  0.00695848
   0.36330535  0.10974819  0.38885042
   0.15238001  0.45492506  0.09311289
   0.37319345  0.35680654  0.24863854
   0.07736687  0.14796958  0.48251388
   0.39944495  0.10095382  0.87449904
   0.15831508  0.38539051  0.61771866
   0.37714368  0.38290052  0.76624671
   0.17090416  0.73030466  0.00434858
   0.40400512  0.61664127  0.36984078
   0.11925098  0.95786101  0.13952933
   0.36058845  0.87436861  0.26957750
   0.16583714  0.57196471  0.49357572
   0.36385796  0.67917089  0.83978069
   0.09930944  0.86879403  0.58194056
   0.38910580  0.92416811  0.68077770
   0.66745340  0.14157073  1.00525232
   0.83451257  0.14741717  0.35096968
   0.58443448  0.43995118  0.09338853
   0.90035238  0.36110691  0.18131458
   0.62455013  0.20520248  0.50571135
   0.93262583  0.12031544  0.87832093
   0.62468450  0.46607704  0.63949231
   0.82180021  0.39018991  0.79649827
   0.59636495  0.71482131 -0.02324832
   0.91677785  0.56542064  0.34859437
   0.58902360  0.92769379  0.13733955
   0.86820142  0.85928357  0.24672534
   0.68027022  0.67518950  0.47094693
   0.88060291  0.65898445  0.90152574
   0.69150038  0.90729468  0.60859177
   0.89227681  0.89330384  0.74375261
   0.16719480  0.11439739  0.12345192
   0.35268856  0.19298358  0.28078905
   0.15594273  0.34284353  0.00890837
   0.36188418  0.45924196  0.34178315
   0.51238779  0.36895483  0.18140451
   0.25752050  0.38921969  0.17177274
   0.22833560  0.14413733  0.44267647
  -0.01158467  0.19937675  0.38712097
   0.03278477  0.00114819  0.51758047
   0.42682078  0.27074608  0.84821647
   0.07395031  0.25447132  0.57806432
   0.35223290  0.51336892  0.83590181
   0.47468524  0.37995081  0.67177684
   0.23133394  0.34753362  0.71572648
   0.28133100  0.10975361 -0.05753603
   0.02098966  0.10830060  0.96966999
   0.21064493  0.60355104  0.06882507
   0.39774514  0.71085053  0.27484173
   0.18867801  0.86909560  0.05629405
   0.39307779  0.95236442  0.36278779
   0.44550584  0.95125828  0.17867717
   0.19831302  0.90045410  0.24030958
   0.31582480  0.64123480  0.46668632
   0.06761291  0.54885582  0.39729081
   0.26731998  0.40209985  0.52711625
   0.37082253  0.73009251  0.73093831
   0.07479947  0.74049927  0.50243878
   0.40316300  0.98086122  0.80198231
   0.53836690  0.88122969  0.63299447
   0.25476137  0.89329276  0.60631188
   0.25395824  0.74876952 -0.09454415
   0.02024826  0.70666887  0.95909965
   0.66046657  0.08636690  0.11629847
   0.81192726  0.21141856  0.23698922
   0.63147326  0.31641235  0.00321993
   0.87300975  0.43498635  0.28506834
   0.00639980  0.48591134  0.13733519
   0.74336510  0.46080644  0.12113315
   0.71141166  0.21305912  0.40307879
   0.46893955  0.15569098  0.46830664
   0.68900248  0.07886656  0.56207017
   0.92280987  0.26531365  0.81708298
   0.61430932  0.36199025  0.53429989
   0.89937880  0.50873280  0.85634963
   1.10416085  0.54734771  0.60195648
   0.78329194  0.39502229  0.68422792
   0.78748208  0.10907899  0.93400302
   0.53475848  0.08979999  0.94671444
   0.52218157  0.57905937  0.04724346
   0.91566790  0.71326721  0.28730599
   0.56439496  0.85219475  0.03775709
   0.85834005  0.97758291  0.33012148
   0.95893333  0.92814599  0.15903624
   0.70899575  0.85537995  0.20894867
   0.80495025  0.59843199  0.42433508
   0.55947469  0.63098936  0.39691712
   0.63329801  0.58846428  0.56184262
   0.84210805  0.77567914  0.81701432
   0.66740301  0.83280377  0.49336293
   0.98816793  0.99710341  0.80577060
   1.00881809  0.83894765  0.67167066
   0.75765203  0.97866608  0.71325514
   0.74859985  0.65594588  0.97522690
   0.52349424  0.72141022  0.87358814
   0.78483678  0.76709185  0.62832143
   0.96270935  0.73781194  0.45220569
   0.94407950  0.25441446  0.11593957
   0.78765987  1.14955272  0.18500349
   0.36750422  0.06878911  0.63889958
   0.30409911  0.31980006  0.50558734
   0.58292026  1.31263206 -0.06021015
  -0.21700771  1.55383170  0.13056556
   0.68129340  0.39477635  0.84364584
   0.61934573  0.57157801  0.71195031
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.903569    0.094187   -0.222860
    -0.000000    9.612722    0.140029
    -0.000000    0.000000   14.045289
   Si   O    H 
    32    64    10
Direct configuration=  3435
   0.16607412  0.17234749  0.00690415
   0.36258892  0.10985866  0.38906184
   0.15192645  0.45667978  0.09370984
   0.37242126  0.35725958  0.24856522
   0.07863668  0.14766554  0.48190598
   0.40048659  0.10175698  0.87484941
   0.15857409  0.38663562  0.61713960
   0.37747143  0.38492885  0.76691724
   0.16959193  0.72974290  0.00449517
   0.40419296  0.61504708  0.37004458
   0.11862483  0.95809036  0.14032311
   0.36062736  0.87332709  0.26956227
   0.16388090  0.57213087  0.49344151
   0.36303964  0.67977882  0.83947036
   0.09936473  0.86901814  0.58224823
   0.38942597  0.92535097  0.68045683
   0.66713488  0.14014347  1.00468838
   0.83517028  0.14740708  0.35096130
   0.58308986  0.43935495  0.09376573
   0.90066330  0.36117786  0.18034697
   0.62545796  0.20531426  0.50545795
   0.93331634  0.12158873  0.87963418
   0.62544176  0.46564587  0.64008065
   0.82260106  0.39090613  0.79579367
   0.59597453  0.71505540 -0.02328350
   0.91877092  0.56577061  0.34874650
   0.58827245  0.92748912  0.13898153
   0.86683692  0.85985217  0.24632768
   0.68000750  0.67512551  0.47148108
   0.88109585  0.65844072  0.90104445
   0.69091345  0.90789856  0.60899014
   0.89151903  0.89259790  0.74320634
   0.16876925  0.11478894  0.12338045
   0.35283316  0.19352105  0.28211948
   0.15486100  0.34145852  0.00788150
   0.36292689  0.45998239  0.34325824
   0.51225276  0.36991626  0.18027221
   0.25751650  0.38896153  0.17317552
   0.22720364  0.14427058  0.44238216
  -0.01180418  0.19941037  0.38714657
   0.03308360 -0.00014169  0.51752945
   0.42818876  0.27157883  0.84855786
   0.07290692  0.25324872  0.57768639
   0.35076571  0.51282638  0.83586051
   0.47665580  0.37827034  0.67233877
   0.23238751  0.34731958  0.71634230
   0.28113000  0.10972273 -0.05630472
   0.02064884  0.10784326  0.96913781
   0.21306599  0.60565728  0.06753378
   0.39683090  0.71241542  0.27430029
   0.18832606  0.86891241  0.05788318
   0.39474277  0.95188236  0.36181728
   0.44477635  0.94839219  0.17991368
   0.19811660  0.89919101  0.24052367
   0.31460705  0.64148671  0.46564051
   0.06806012  0.55093954  0.39668372
   0.26791665  0.40299963  0.52730221
   0.36866569  0.73242928  0.73193929
   0.07308922  0.74282233  0.50073647
   0.40426216  0.98078307  0.80035814
   0.53864300  0.88042743  0.63249142
   0.25476271  0.89192206  0.60392425
   0.25140920  0.74945619 -0.09384638
   0.01850963  0.70672620  0.95823618
   0.65972951  0.08659963  0.11757826
   0.81141416  0.21096535  0.23679024
   0.63050776  0.31485248  0.00248521
   0.87372091  0.43412797  0.28413153
   0.00618251  0.48529962  0.13650952
   0.74589901  0.45954086  0.12169693
   0.71165142  0.21343297  0.40261726
   0.46886650  0.15514640  0.46778135
   0.68889291  0.07860536  0.56123601
   0.92384850  0.26536731  0.81798674
   0.61371720  0.36073776  0.53486128
   0.90112413  0.50856997  0.85615178
   1.10537399  0.54839335  0.60188156
   0.78344088  0.39636193  0.68380163
   0.78776096  0.10841142  0.93482355
   0.53408626  0.08977232  0.94753776
   0.52200118  0.57755916  0.04710357
   0.91530131  0.71239662  0.28726275
   0.56502989  0.85212240  0.03747753
   0.85879744  0.97956252  0.33038010
   0.95690335  0.92894242  0.15977515
   0.70913052  0.85352992  0.20834000
   0.80564686  0.59853471  0.42462566
   0.56111304  0.62948032  0.39556851
   0.63294019  0.58996824  0.56205672
   0.84387304  0.77327804  0.81566308
   0.66791954  0.83309726  0.49229523
   0.98963594  0.99918530  0.80584935
   1.00857925  0.83709682  0.67182259
   0.75785769  0.97871898  0.71210187
   0.74920132  0.65673204  0.97363600
   0.52218680  0.72014138  0.87429782
   0.78814285  0.76584317  0.63560185
   0.97897835  0.73238869  0.45769759
   0.94825014  0.26202532  0.11855537
   0.79164259  1.15512516  0.18501158
   0.36896238  0.06769650  0.64207555
   0.30673891  0.31218098  0.50284607
   0.58067491  1.31136901 -0.06807284
  -0.22034600  1.54228035  0.12947972
   0.69088621  0.39128766  0.84431450
   0.61833659  0.56543357  0.71771880
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904808    0.093483   -0.221479
    -0.000000    9.611813    0.136959
    -0.000000    0.000000   14.048199
   Si   O    H 
    32    64    10
Direct configuration=  3436
   0.16524646  0.17249398  0.00755515
   0.36227675  0.10961455  0.38866730
   0.15203466  0.45792589  0.09449756
   0.37156321  0.35762216  0.24857873
   0.07946739  0.14731064  0.48141376
   0.40228613  0.10261729  0.87532270
   0.15888861  0.38860537  0.61646085
   0.37796161  0.38643668  0.76723901
   0.16818116  0.72953356  0.00408821
   0.40441105  0.61424640  0.37045867
   0.11863420  0.95852037  0.14107798
   0.36025067  0.87276019  0.26911098
   0.16281814  0.57339627  0.49296679
   0.36246909  0.68083972  0.83866316
   0.09965886  0.86929050  0.58274897
   0.38914482  0.92642484  0.68034301
   0.66728173  0.13831170  1.00407634
   0.83628498  0.14681128  0.35067884
   0.58132947  0.43873014  0.09396411
   0.90052091  0.36113713  0.17941439
   0.62644534  0.20588038  0.50546769
   0.93373280  0.12223167  0.88033257
   0.62604809  0.46539270  0.64052232
   0.82245169  0.39124199  0.79500625
   0.59544138  0.71433611 -0.02338082
   0.92111806  0.56656933  0.34828659
   0.58778033  0.92663864  0.14051175
   0.86563443  0.86069464  0.24611335
   0.67986282  0.67469310  0.47166596
   0.88136207  0.65869324  0.90064255
   0.68984390  0.90771370  0.60936103
   0.89114638  0.89213861  0.74287920
   0.17008394  0.11578070  0.12307029
   0.35382703  0.19444864  0.28364953
   0.15407441  0.34086046  0.00681719
   0.36417124  0.46050090  0.34403667
   0.51210832  0.37190722  0.17962534
   0.25703319  0.38814491  0.17424827
   0.22613952  0.14462372  0.44131975
  -0.01310334  0.19987569  0.38720032
   0.03387460 -0.00196619  0.51782657
   0.42918835  0.27167162  0.84834591
   0.07114744  0.25258211  0.57729423
   0.34848389  0.51191878  0.83564149
   0.47872201  0.37690762  0.67345214
   0.23336634  0.34725075  0.71726905
   0.28102219  0.10943908 -0.05579877
   0.02127514  0.10813306  0.96889964
   0.21631562  0.60727345  0.06696083
   0.39550825  0.71380346  0.27390037
   0.18781323  0.86948811  0.05928338
   0.39730083  0.95163748  0.36172379
   0.44418199  0.94538075  0.18116540
   0.19777484  0.89913681  0.24077852
   0.31237715  0.64176304  0.46460835
   0.06870241  0.55240683  0.39592488
   0.26909944  0.40382857  0.52756467
   0.36683480  0.73407746  0.73295028
   0.07024385  0.74515145  0.49849722
   0.40461386  0.98129045  0.79869554
   0.53769619  0.87925949  0.63217186
   0.25553061  0.89042016  0.60165693
   0.24994076  0.74938059 -0.09324652
   0.01640767  0.70704352  0.95749285
   0.65899668  0.08709761  0.11825910
   0.81112858  0.21215534  0.23690282
   0.62984018  0.31414162  0.00195699
   0.87467291  0.43341885  0.28379589
   0.00610310  0.48499242  0.13538503
   0.74772060  0.45653997  0.12203069
   0.71156055  0.21400326  0.40229144
   0.46913970  0.15402056  0.46785625
   0.68904888  0.07803219  0.56081549
   0.92465093  0.26621743  0.81854424
   0.61359474  0.35980499  0.53586223
   0.90281419  0.50816282  0.85575714
   1.10647385  0.54859931  0.60223211
   0.78315381  0.39821226  0.68308294
   0.78847090  0.10890372  0.93511411
   0.53300445  0.08886047  0.94886616
   0.52256664  0.57688660  0.04645627
   0.91491115  0.71230558  0.28687505
   0.56632410  0.85162155  0.03715900
   0.85837153  0.98097018  0.33089398
   0.95457479  0.92939247  0.16026670
   0.70929569  0.85138365  0.20781441
   0.80649110  0.59857828  0.42496089
   0.56316313  0.62793199  0.39499669
   0.63274935  0.59232695  0.56217696
   0.84540799  0.77052484  0.81407422
   0.66870468  0.83424080  0.49089862
   0.99068008  1.00102823  0.80659158
   1.00784794  0.83653262  0.67204205
   0.75826346  0.97937791  0.71076725
   0.75063559  0.65744953  0.97185512
   0.52100316  0.71871402  0.87500324
   0.78723511  0.76927939  0.64122686
   1.00396744  0.73216805  0.46881527
   0.95300407  0.26514580  0.11714351
   0.78963171  1.14704331  0.17796576
   0.37231831  0.06886276  0.64438717
   0.30663351  0.31120986  0.50121180
   0.57944663  1.30744109 -0.07194413
  -0.21002720  1.55992643  0.13031650
   0.69835318  0.39112917  0.84556451
   0.61857575  0.56224167  0.72639673
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.905851    0.092456   -0.219871
    -0.000000    9.610864    0.133957
    -0.000000    0.000000   14.051332
   Si   O    H 
    32    64    10
Direct configuration=  3437
   0.16417771  0.17284185  0.00870190
   0.36196549  0.10929081  0.38800423
   0.15217726  0.45949552  0.09514199
   0.37104609  0.35767279  0.24866060
   0.08006774  0.14711256  0.48085569
   0.40430751  0.10297013  0.87563769
   0.15887388  0.38971844  0.61630337
   0.37848491  0.38746084  0.76739215
   0.16626790  0.72923583  0.00331227
   0.40482766  0.61469296  0.37114525
   0.11913724  0.95848248  0.14207402
   0.35940728  0.87202579  0.26810936
   0.16222591  0.57461548  0.49243275
   0.36230420  0.68218551  0.83803179
   0.09981427  0.86976978  0.58301048
   0.38827189  0.92701729  0.68007931
   0.66703513  0.13723584  1.00398773
   0.83770093  0.14604536  0.35038485
   0.57991364  0.43802380  0.09408347
   0.89973753  0.36130699  0.17877360
   0.62742395  0.20653859  0.50529045
   0.93406653  0.12312209  0.88011106
   0.62655521  0.46514935  0.64073577
   0.82250365  0.39186906  0.79450368
   0.59447738  0.71370411 -0.02345384
   0.92304321  0.56769686  0.34792690
   0.58824738  0.92611577  0.14172198
   0.86417155  0.86142914  0.24635007
   0.67925665  0.67362494  0.47132276
   0.88208263  0.65880705  0.90054382
   0.68905242  0.90790312  0.60956734
   0.89047583  0.89191895  0.74231225
   0.17104523  0.11704582  0.12294066
   0.35475167  0.19606409  0.28530266
   0.15306590  0.34047421  0.00552146
   0.36496414  0.46006722  0.34447393
   0.51226651  0.37341420  0.17879040
   0.25599822  0.38737771  0.17453210
   0.22531666  0.14460055  0.44068601
  -0.01438620  0.19964054  0.38687138
   0.03467758 -0.00445839  0.51881903
   0.42983388  0.27135089  0.84810938
   0.07001584  0.25219082  0.57773170
   0.34659414  0.51154698  0.83641550
   0.47959888  0.37668468  0.67489074
   0.23422673  0.34734119  0.71807234
   0.28028336  0.10992607 -0.05547876
   0.02226949  0.10833310  0.96906931
   0.21928517  0.60763102  0.06677640
   0.39370779  0.71508614  0.27367941
   0.18716308  0.87054917  0.06022643
   0.39892521  0.95196169  0.36212203
   0.44335309  0.94345385  0.18261165
   0.19755439  0.89889509  0.24094686
   0.30977221  0.64199426  0.46347438
   0.06994214  0.55346319  0.39525335
   0.27030834  0.40509458  0.52719463
   0.36516577  0.73610440  0.73377612
   0.07145946  0.74789408  0.49869133
   0.40476759  0.98248708  0.79643856
   0.53675176  0.87895635  0.63209177
   0.25682464  0.88786042  0.59953802
   0.24906831  0.74918073 -0.09251589
   0.01522422  0.70745395  0.95693551
   0.65823401  0.08681856  0.11863514
   0.81110260  0.21333961  0.23665609
   0.62854247  0.31351490  0.00166932
   0.87515094  0.43255959  0.28333660
   0.00607863  0.48430157  0.13413472
   0.75042632  0.45457540  0.12268187
   0.71141039  0.21460987  0.40256040
   0.47016108  0.15404258  0.46822521
   0.68868607  0.07760682  0.56053008
   0.92604284  0.26651138  0.81956023
   0.61408279  0.35899256  0.53704175
   0.90444501  0.50804866  0.85562673
   1.10828372  0.54780135  0.60279520
   0.78300845  0.39946890  0.68222168
   0.78820810  0.10934900  0.93543051
   0.53269016  0.08724507  0.95039448
   0.52251062  0.57753235  0.04535482
   0.91445745  0.71225885  0.28660481
   0.56738250  0.85129579  0.03701054
   0.85783523  0.98187432  0.33147821
   0.95374396  0.92989610  0.16066252
   0.70863021  0.84862488  0.20728260
   0.80797116  0.59765462  0.42562216
   0.56405954  0.62604671  0.39490202
   0.63283536  0.59338925  0.56233382
   0.84684640  0.76767181  0.81320100
   0.67084568  0.83547898  0.48963478
   0.99167452  1.00261702  0.80710592
   1.00876508  0.83602274  0.67209551
   0.75929157  0.98016026  0.70986219
   0.75182941  0.65812569  0.97030887
   0.52000934  0.71689778  0.87571592
   0.78154586  0.77410546  0.64366949
   0.96730796  0.72188799  0.45200928
   0.95800837  0.26615436  0.11397719
   0.78500659  1.14438972  0.17703991
   0.37504646  0.07439144  0.64489969
   0.30381693  0.31621991  0.50109053
   0.57900778  1.30748993 -0.06891376
  -0.20526614  1.56538986  0.12907199
   0.70072655  0.39245280  0.84693618
   0.62159864  0.55949013  0.73384298
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907108    0.091158   -0.218452
    -0.000000    9.609742    0.130709
    -0.000000    0.000000   14.054409
   Si   O    H 
    32    64    10
Direct configuration=  3438
   0.16335422  0.17254564  0.00989131
   0.36160796  0.10932286  0.38750657
   0.15255879  0.46031093  0.09537418
   0.37098017  0.35808576  0.24894226
   0.08049782  0.14651477  0.48063181
   0.40602358  0.10296815  0.87570967
   0.15942349  0.38978305  0.61584718
   0.37866143  0.38900931  0.76746486
   0.16486072  0.72942592  0.00194807
   0.40552465  0.61541816  0.37155516
   0.11935669  0.95877518  0.14338263
   0.35796860  0.87192680  0.26689577
   0.16190032  0.57609287  0.49198802
   0.36228206  0.68340189  0.83750953
   0.10050216  0.87010108  0.58306063
   0.38697529  0.92689803  0.68003201
   0.66681633  0.13606470  1.00359544
   0.83977574  0.14528925  0.35018907
   0.57915118  0.43821226  0.09342595
   0.89860602  0.36154321  0.17843926
   0.62803620  0.20635023  0.50465459
   0.93384951  0.12339283  0.87963376
   0.62762798  0.46575561  0.64098539
   0.82272550  0.39171833  0.79434045
   0.59389047  0.71300624 -0.02356919
   0.92418065  0.56794957  0.34731207
   0.58873069  0.92630465  0.14310990
   0.86329530  0.86170601  0.24691075
   0.67874912  0.67319403  0.47070943
   0.88202243  0.65874224  0.90097563
   0.68768380  0.90793242  0.60971600
   0.89050733  0.89131245  0.74171113
   0.17211241  0.11848196  0.12292011
   0.35539735  0.19805876  0.28670595
   0.15124685  0.34066683  0.00503904
   0.36437773  0.45952306  0.34481458
   0.51163244  0.37399421  0.17871341
   0.25431526  0.38668931  0.17428579
   0.22509999  0.14476412  0.43998975
  -0.01549752  0.20018949  0.38671845
   0.03661850 -0.00601783  0.52007256
   0.42885019  0.27066004  0.84740910
   0.06937329  0.25194195  0.57813551
   0.34527966  0.51110222  0.83653368
   0.48092225  0.37606359  0.67608018
   0.23478974  0.34769595  0.71825621
   0.27938280  0.10947700 -0.05546737
   0.02348753  0.10828747  0.97011554
   0.22230151  0.60735037  0.06730286
   0.39228168  0.71519668  0.27374981
   0.18586125  0.87098894  0.06095981
   0.40057494  0.95315524  0.36305730
   0.44229456  0.94154981  0.18390629
   0.19641310  0.89883040  0.24118980
   0.30773151  0.64255124  0.46224644
   0.07235641  0.55473663  0.39476448
   0.27084211  0.40621377  0.52674046
   0.36292919  0.73774271  0.73478652
   0.07176434  0.74929888  0.49925214
   0.40420783  0.98382168  0.79434992
   0.53567615  0.87877304  0.63242834
   0.25888317  0.88551071  0.59774149
   0.24821602  0.74961734 -0.09229473
   0.01362164  0.70876077  0.95705628
   0.65716404  0.08643649  0.11877086
   0.81122590  0.21364426  0.23667150
   0.62746597  0.31336197  0.00141903
   0.87553298  0.43297850  0.28314656
   0.00547703  0.48356432  0.13330199
   0.75327354  0.45304497  0.12405930
   0.71082781  0.21376355  0.40315151
   0.47157872  0.15438274  0.46891717
   0.68829797  0.07685022  0.56043503
   0.92741557  0.26618337  0.82004426
   0.61518242  0.35803790  0.53860609
   0.90566592  0.50792009  0.85579323
   1.10942751  0.54730270  0.60388215
   0.78350269  0.40028708  0.68121874
   0.78719484  0.10966930  0.93560995
   0.53271613  0.08548867  0.95160904
   0.52185241  0.57872739  0.04420891
   0.91414478  0.71189069  0.28639086
   0.56896422  0.85109485  0.03687723
   0.85715434  0.98252687  0.33270633
   0.95323910  0.93012170  0.16099863
   0.70836412  0.84557184  0.20648010
   0.80941511  0.59731493  0.42578361
   0.56444340  0.62436572  0.39429767
   0.63247005  0.59452313  0.56261103
   0.84749247  0.76460148  0.81308460
   0.67319462  0.83733731  0.48838238
   0.99215290  1.00419040  0.80728685
   1.00890552  0.83591473  0.67200270
   0.76045986  0.98085873  0.70864795
   0.75290142  0.65944596  0.96890324
   0.51856342  0.71506176  0.87581560
   0.77083603  0.78385080  0.64245832
   0.95053203  0.71886847  0.44554546
   0.95990400  0.26585733  0.11035000
   0.77790573  1.14886075  0.18424492
   0.37783803  0.07898791  0.64692390
   0.29998237  0.31869196  0.50279708
   0.57885331  1.30878369 -0.06348050
  -0.20851230  1.55939217  0.12664089
   0.70077281  0.39479671  0.85053678
   0.62582377  0.55747434  0.73556203
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.907908    0.089697   -0.217494
    -0.000000    9.608858    0.127042
    -0.000000    0.000000   14.057268
   Si   O    H 
    32    64    10
Direct configuration=  3439
   0.16246663  0.17287006  0.01115255
   0.36174754  0.10938336  0.38750284
   0.15353820  0.46041367  0.09544878
   0.37120577  0.35852562  0.24965423
   0.08009596  0.14626222  0.48018061
   0.40742290  0.10310045  0.87559859
   0.16017851  0.38922424  0.61582559
   0.37934469  0.38983841  0.76738864
   0.16332978  0.72995516  0.00049694
   0.40645130  0.61570316  0.37213793
   0.11985634  0.95931888  0.14448638
   0.35600994  0.87245824  0.26635108
   0.16193660  0.57802150  0.49146622
   0.36244337  0.68409161  0.83709894
   0.10077344  0.86996420  0.58292831
   0.38591569  0.92659949  0.67963749
   0.66671846  0.13425890  1.00300569
   0.84098443  0.14434060  0.35000218
   0.57918717  0.43825050  0.09238657
   0.89761439  0.36244459  0.17840511
   0.62819416  0.20550786  0.50380608
   0.93368577  0.12392107  0.87905540
   0.62896162  0.46691543  0.64145921
   0.82257635  0.39113251  0.79403458
   0.59301637  0.71208716 -0.02373813
   0.92463537  0.56820827  0.34642223
   0.58946151  0.92543597  0.14390554
   0.86190122  0.86220914  0.24762780
   0.67852554  0.67275206  0.47007295
   0.88192191  0.65887448  0.90094949
   0.68648683  0.90809064  0.60925226
   0.89047458  0.89123542  0.74105234
   0.17266323  0.12007678  0.12291196
   0.35628397  0.20004839  0.28865610
   0.14852870  0.34142904  0.00466153
   0.36387202  0.45782529  0.34485198
   0.51043045  0.37469742  0.17904520
   0.25210099  0.38580466  0.17408209
   0.22604101  0.14491946  0.43895094
  -0.01713163  0.20108670  0.38670312
   0.03821435 -0.00705761  0.52151264
   0.42881171  0.27023477  0.84684185
   0.06824157  0.25186390  0.57813615
   0.34495433  0.51047548  0.83659435
   0.48205576  0.37654587  0.67714829
   0.23427654  0.34748452  0.71817758
   0.27874395  0.10912717 -0.05590643
   0.02459236  0.10816257  0.97224322
   0.22497559  0.60734154  0.06788865
   0.39071313  0.71431202  0.27369364
   0.18467932  0.87050867  0.06112292
   0.40175641  0.95422031  0.36388191
   0.44164628  0.94053456  0.18524633
   0.19614756  0.89970278  0.24148665
   0.30573843  0.64326023  0.46126846
   0.07494488  0.55487600  0.39366472
   0.27140253  0.40758032  0.52588545
   0.36033765  0.73984690  0.73555746
   0.07165199  0.75012888  0.49897785
   0.40321649  0.98467663  0.79286080
   0.53360280  0.87797001  0.63298171
   0.26119555  0.88250376  0.59626879
   0.24872924  0.74987156 -0.09226002
   0.01238663  0.70949692  0.95698726
   0.65608817  0.08586735  0.11897121
   0.81053116  0.21428523  0.23647679
   0.62586930  0.31398967  0.00094489
   0.87643219  0.43467228  0.28294793
   0.00504026  0.48212663  0.13280698
   0.75562004  0.45318218  0.12517324
   0.71062561  0.21247541  0.40337311
   0.47361515  0.15478018  0.46927144
   0.68787252  0.07533039  0.56050688
   0.92853714  0.26595909  0.81974692
   0.61638334  0.35718610  0.54046309
   0.90673980  0.50849997  0.85562174
   1.10986200  0.54765006  0.60491434
   0.78457582  0.40135378  0.67989279
   0.78613050  0.11016827  0.93590333
   0.53216356  0.08353019  0.95260437
   0.52240457  0.57941089  0.04288617
   0.91407328  0.71116441  0.28653942
   0.57049639  0.85076500  0.03660936
   0.85613878  0.98238047  0.33383950
   0.95297901  0.92985459  0.16120180
   0.70810203  0.84278252  0.20598242
   0.81029775  0.59755486  0.42646929
   0.56350831  0.62158255  0.39330441
   0.63236368  0.59493504  0.56310970
   0.84796829  0.76112482  0.81314153
   0.67557464  0.83869306  0.48738741
   0.99224834  1.00494475  0.80712850
   1.00934154  0.83569622  0.67203525
   0.76025822  0.98114674  0.70714311
   0.75294063  0.66034704  0.96795396
   0.51684357  0.71320207  0.87619431
   0.76046159  0.78606631  0.63810605
   0.94983372  0.72283950  0.44656971
   0.95958944  0.26638026  0.10832742
   0.76912787  1.15562939  0.19203356
   0.38213240  0.07939933  0.64995171
   0.30115177  0.31647139  0.50169250
   0.57762576  1.31090356 -0.05747115
  -0.21609232  1.54284794  0.12673403
   0.69567548  0.39429694  0.85213358
   0.62840554  0.55897941  0.73295067
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908595    0.088348   -0.216590
    -0.000000    9.607729    0.122908
    -0.000000    0.000000   14.060195
   Si   O    H 
    32    64    10
Direct configuration=  3440
   0.16151833  0.17313170  0.01223816
   0.36191652  0.10936389  0.38803409
   0.15547474  0.46010879  0.09519629
   0.37140709  0.35976475  0.24975359
   0.07953421  0.14640792  0.47963632
   0.40852440  0.10330561  0.87529864
   0.16065570  0.38955858  0.61576977
   0.38054023  0.39011066  0.76725335
   0.16197177  0.73020943 -0.00073247
   0.40719702  0.61514435  0.37276389
   0.12018259  0.95945774  0.14553492
   0.35345821  0.87304901  0.26582644
   0.16144639  0.57990586  0.49116037
   0.36252494  0.68521931  0.83661243
   0.10089606  0.87007332  0.58312289
   0.38455157  0.92587205  0.67944939
   0.66639533  0.13180647  1.00274896
   0.84197356  0.14354338  0.34958113
   0.57925634  0.43833584  0.09145500
   0.89670467  0.36349682  0.17854012
   0.62816942  0.20487379  0.50274054
   0.93365800  0.12441638  0.87847098
   0.63017316  0.46758268  0.64161000
   0.82278397  0.39037869  0.79393656
   0.59273531  0.71020453 -0.02344967
   0.92516210  0.56813860  0.34576011
   0.59027631  0.92491998  0.14463656
   0.86062288  0.86303203  0.24830934
   0.67749637  0.67219841  0.46931627
   0.88175463  0.65929047  0.90100828
   0.68543671  0.90907346  0.60826448
   0.89100867  0.89087510  0.74057816
   0.17275072  0.12120687  0.12260907
   0.35689719  0.20138872  0.29017608
   0.14624593  0.34224183  0.00376480
   0.36295518  0.45597370  0.34442293
   0.50850695  0.37499081  0.17983139
   0.24979005  0.38435873  0.17410734
   0.22691165  0.14506949  0.43809269
  -0.01811981  0.20179587  0.38698828
   0.03863210 -0.00727056  0.52247472
   0.42876070  0.26924868  0.84644996
   0.06733223  0.25204848  0.57827319
   0.34509007  0.50969920  0.83715929
   0.48283946  0.37737853  0.67824464
   0.23383111  0.34757450  0.71778740
   0.27832261  0.10817388 -0.05615317
   0.02534031  0.10854262  0.97433454
   0.22718728  0.60735069  0.06861083
   0.38901635  0.71219803  0.27426364
   0.18289060  0.87044707  0.06084536
   0.40145324  0.95512175  0.36413121
   0.44069682  0.93946559  0.18612791
   0.19637881  0.90129505  0.24195024
   0.30316432  0.64475440  0.46080435
   0.07716914  0.55394017  0.39277318
   0.27211893  0.40860986  0.52482414
   0.35846983  0.74254926  0.73583115
   0.07091074  0.75023232  0.49826557
   0.40195725  0.98622672  0.79211881
   0.53213134  0.87798141  0.63339484
   0.26399780  0.87998455  0.59534195
   0.25000647  0.75030750 -0.09269605
   0.01131483  0.71011120  0.95698433
   0.65569819  0.08535687  0.11885671
   0.81044928  0.21585041  0.23664256
   0.62470260  0.31477965  0.00103064
   0.87675329  0.43574196  0.28321966
   0.00499425  0.47997111  0.13256378
   0.75733606  0.45216523  0.12602696
   0.71047522  0.21113357  0.40358118
   0.47474353  0.15599018  0.46929732
   0.68776740  0.07432506  0.56005977
   0.92919629  0.26607736  0.81889933
   0.61880891  0.35613066  0.54225403
   0.90797459  0.50910941  0.85528466
   1.10976214  0.54845459  0.60538475
   0.78572380  0.40204684  0.67856629
   0.78466283  0.11049563  0.93554560
   0.53130096  0.08214732  0.95395085
   0.52374287  0.58042530  0.04177515
   0.91397755  0.71074686  0.28666684
   0.57177776  0.85017235  0.03689655
   0.85474601  0.98096588  0.33475845
   0.95312423  0.93032927  0.16149058
   0.70743139  0.84037773  0.20574242
   0.81258085  0.59802848  0.42739417
   0.56299460  0.61962003  0.39156894
   0.63216214  0.59576881  0.56344539
   0.84864369  0.75831783  0.81321381
   0.67824772  0.84024064  0.48613638
   0.99209830  1.00525710  0.80646961
   1.00922225  0.83579847  0.67236280
   0.76008566  0.98178983  0.70556559
   0.75319200  0.66135209  0.96713435
   0.51550420  0.71076368  0.87609791
   0.75823373  0.77983675  0.63312753
   0.96293705  0.73208124  0.45621080
   0.95111931  0.26803246  0.10871834
   0.75336897  1.15555262  0.19009375
   0.38281299  0.07897014  0.65044969
   0.30249924  0.31416449  0.49931813
   0.56652528  1.31317313 -0.05839832
  -0.21740643  1.54129686  0.12804589
   0.69466147  0.39192367  0.85022805
   0.62900874  0.56603881  0.72437432
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909105    0.086444   -0.215683
    -0.000000    9.606545    0.118189
    -0.000000    0.000000   14.063165
   Si   O    H 
    32    64    10
Direct configuration=  3441
   0.16180772  0.17299972  0.01303632
   0.36220052  0.10937746  0.38858154
   0.15749968  0.45950152  0.09481820
   0.37146150  0.35997232  0.24998218
   0.07897066  0.14731392  0.47929279
   0.40947747  0.10389459  0.87537807
   0.16029596  0.38887275  0.61572161
   0.38143576  0.39015216  0.76708539
   0.16036788  0.73006984 -0.00174094
   0.40755744  0.61477444  0.37352413
   0.11985006  0.95931698  0.14666698
   0.35075245  0.87331986  0.26538167
   0.16101341  0.58097619  0.49111425
   0.36274414  0.68543112  0.83643627
   0.10148109  0.86989637  0.58312826
   0.38367507  0.92526024  0.67927401
   0.66628047  0.13008147  1.00233567
   0.84302774  0.14269384  0.34913802
   0.57973531  0.43794182  0.09048278
   0.89664950  0.36431967  0.17869343
   0.62800634  0.20445439  0.50151575
   0.93403941  0.12475165  0.87794381
   0.63136717  0.46788793  0.64142581
   0.82267930  0.38970127  0.79409811
   0.59208719  0.70850364 -0.02289113
   0.92592066  0.56746645  0.34494613
   0.59069785  0.92446503  0.14525371
   0.85990092  0.86352372  0.24910580
   0.67649515  0.67221812  0.46865915
   0.88142769  0.65943783  0.90103593
   0.68445428  0.91015326  0.60699102
   0.89135829  0.89051126  0.74048838
   0.17334525  0.12141863  0.12205366
   0.35795818  0.20266341  0.29148534
   0.14391470  0.34378181  0.00271479
   0.36252120  0.45475525  0.34376086
   0.50694143  0.37498058  0.17981949
   0.24776389  0.38339752  0.17448616
   0.22784596  0.14515231  0.43773696
  -0.01871024  0.20227856  0.38813858
   0.03821700 -0.00668280  0.52333253
   0.42936641  0.26748763  0.84631225
   0.06648702  0.25223392  0.57771243
   0.34523349  0.50966464  0.83826534
   0.48365378  0.37813589  0.67930682
   0.23338449  0.34797405  0.71745858
   0.27725359  0.10733356 -0.05684422
   0.02548346  0.10975545  0.97656123
   0.22845879  0.60676882  0.06915514
   0.38696210  0.71081194  0.27493529
   0.18046161  0.86999178  0.06043452
   0.40072359  0.95567032  0.36412840
   0.43956596  0.93775558  0.18603013
   0.19679028  0.90270156  0.24192478
   0.30198925  0.64653762  0.46029046
   0.07882949  0.55261301  0.39238553
   0.27172854  0.40951421  0.52371553
   0.35735905  0.74540356  0.73573748
   0.06902367  0.74982061  0.49737592
   0.40104232  0.98811385  0.79131768
   0.53034162  0.87866983  0.63417773
   0.26640228  0.87809250  0.59426093
   0.25121964  0.75009685 -0.09317802
   0.01036568  0.71007113  0.95759983
   0.65638066  0.08519122  0.11883904
   0.81084766  0.21655454  0.23707677
   0.62336023  0.31492865  0.00185814
   0.87709851  0.43672482  0.28347270
   0.00425844  0.47826250  0.13258046
   0.75791127  0.45048266  0.12684657
   0.70992607  0.20968859  0.40318495
   0.47573677  0.15612944  0.46880187
   0.68715093  0.07355569  0.55958702
   0.92959066  0.26588375  0.81820128
   0.62093662  0.35488924  0.54389923
   0.90925101  0.51045619  0.85469767
   1.10960140  0.54855758  0.60623280
   0.78670838  0.40281068  0.67733159
   0.78385530  0.11046121  0.93537593
   0.52989698  0.08077794  0.95493324
   0.52553258  0.58127689  0.04051238
   0.91390290  0.71129783  0.28636628
   0.57304898  0.84970300  0.03751445
   0.85353563  0.97884018  0.33548636
   0.95367949  0.93140260  0.16198857
   0.70640024  0.83847750  0.20606685
   0.81568800  0.59877161  0.42806993
   0.56266860  0.61851002  0.38987904
   0.63194115  0.59690414  0.56389109
   0.84857792  0.75582596  0.81241172
   0.68098791  0.84176193  0.48472385
   0.99113832  1.00540634  0.80632742
   1.00910604  0.83607521  0.67290039
   0.76002649  0.98168948  0.70387776
   0.75237890  0.66222451  0.96707537
   0.51456129  0.70977890  0.87618169
   0.75904293  0.77135200  0.62872255
   0.98759459  0.74575629  0.47365654
   0.94002912  0.26754896  0.10998660
   0.74087179  1.15839036  0.18729332
   0.38146316  0.07686333  0.65370575
   0.30553137  0.31405954  0.49738765
   0.55505316  1.31089627 -0.06070203
  -0.21192559  1.56151599  0.12733178
   0.69687406  0.38815757  0.84632331
   0.62994425  0.57838036  0.71637081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908786    0.084576   -0.214550
    -0.000000    9.605818    0.113243
    -0.000000    0.000000   14.065965
   Si   O    H 
    32    64    10
Direct configuration=  3442
   0.16264779  0.17250198  0.01375428
   0.36370150  0.10894037  0.38907209
   0.15966696  0.45901819  0.09446621
   0.37126017  0.36003291  0.24977474
   0.07831289  0.14870722  0.47883814
   0.41051728  0.10492818  0.87562838
   0.16018849  0.38819695  0.61595234
   0.38277524  0.38978134  0.76694141
   0.15886150  0.73035103 -0.00235676
   0.40818378  0.61409200  0.37432965
   0.11984850  0.95945723  0.14759831
   0.34828016  0.87352905  0.26530073
   0.16057512  0.58175158  0.49129225
   0.36217598  0.68578284  0.83626434
   0.10259175  0.86949574  0.58294412
   0.38292039  0.92426314  0.67871450
   0.66583671  0.12891536  1.00180831
   0.84385990  0.14251718  0.34882441
   0.58007849  0.43778568  0.08955786
   0.89656050  0.36460783  0.17878090
   0.62721640  0.20419535  0.50018575
   0.93471002  0.12517210  0.87722191
   0.63278106  0.46818572  0.64139601
   0.82293698  0.38866916  0.79360102
   0.59095184  0.70686136 -0.02239461
   0.92668508  0.56639050  0.34433624
   0.59109458  0.92356903  0.14541560
   0.85916849  0.86464552  0.24954825
   0.67565530  0.67251471  0.46846414
   0.88146587  0.65959851  0.90126541
   0.68353346  0.91112332  0.60558870
   0.89133440  0.89001903  0.74066649
   0.17394185  0.12112017  0.12176401
   0.35922315  0.20401368  0.29223336
   0.14131356  0.34519208  0.00144786
   0.36172576  0.45375057  0.34418336
   0.50566474  0.37512063  0.17951653
   0.24579941  0.38206420  0.17476663
   0.22816660  0.14538937  0.43813401
  -0.01878103  0.20230970  0.38985643
   0.03790277 -0.00541861  0.52337567
   0.42966922  0.26564312  0.84565403
   0.06611462  0.25275686  0.57710009
   0.34532996  0.51010091  0.83994426
   0.48345092  0.37860007  0.68044071
   0.23361376  0.34801785  0.71703005
   0.27616226  0.10727013 -0.05636946
   0.02447947  0.11068324  0.97809313
   0.22902977  0.60709592  0.07001605
   0.38526594  0.71011711  0.27637975
   0.17756553  0.86910533  0.06030864
   0.39969571  0.95603725  0.36409570
   0.43805901  0.93678082  0.18581798
   0.19713838  0.90403628  0.24251629
   0.30075529  0.64834080  0.45971866
   0.08076819  0.55190627  0.39230411
   0.27144850  0.40936285  0.52257993
   0.35665057  0.74853414  0.73556683
   0.06909528  0.74927088  0.49714855
   0.40044819  0.98955717  0.79192300
   0.52849856  0.87975485  0.63490570
   0.26881029  0.87621262  0.59322548
   0.25186437  0.74927763 -0.09323198
   0.00966046  0.71013417  0.95853175
   0.65720925  0.08401534  0.11912190
   0.81136936  0.21666594  0.23717951
   0.62163728  0.31482829  0.00272463
   0.87741536  0.43775967  0.28385658
   0.00334045  0.47706869  0.13250364
   0.75851390  0.44959414  0.12789637
   0.71051459  0.20795020  0.40290441
   0.47676057  0.15597049  0.46781058
   0.68709271  0.07339191  0.55941421
   0.93004427  0.26584810  0.81709235
   0.62270745  0.35362590  0.54600771
   0.91025907  0.51160674  0.85422662
   1.11001909  0.54886697  0.60637850
   0.78746557  0.40399518  0.67708345
   0.78335866  0.11038120  0.93452377
   0.52875451  0.07957178  0.95543680
   0.52766725  0.58119848  0.03941604
   0.91431688  0.71282946  0.28531251
   0.57432546  0.84906266  0.03788738
   0.85209362  0.97699589  0.33608770
   0.95329317  0.93127146  0.16235747
   0.70552006  0.83805793  0.20639661
   0.81795054  0.59942326  0.42896930
   0.56289857  0.61805683  0.38861917
   0.63121575  0.59843118  0.56441997
   0.84864831  0.75429953  0.81153037
   0.68367180  0.84389086  0.48297710
   0.98988328  1.00538568  0.80627464
   1.00899175  0.83616900  0.67313769
   0.76018790  0.98136181  0.70221274
   0.75101661  0.66230249  0.96741226
   0.51412932  0.70914581  0.87614772
   0.75599267  0.76769769  0.62572574
   0.97983508  0.76086319  0.47952098
   0.93165661  0.26292247  0.11234346
   0.73691480  1.16249256  0.18712844
   0.38012506  0.07550555  0.65469964
   0.30752721  0.32129366  0.49789645
   0.54794560  1.30935386 -0.05999737
  -0.21278107  1.56508684  0.12455766
   0.69561800  0.38431537  0.84260676
   0.63019754  0.58866922  0.70854441
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.908948    0.083198   -0.213598
    -0.000000    9.605619    0.108865
    -0.000000    0.000000   14.068355
   Si   O    H 
    32    64    10
Direct configuration=  3443
   0.16386199  0.17203984  0.01398819
   0.36529944  0.10941068  0.38948798
   0.16102230  0.45873323  0.09436212
   0.37054262  0.35915468  0.24956178
   0.07795701  0.14993171  0.47860641
   0.41142012  0.10507674  0.87607697
   0.15987814  0.38705543  0.61631645
   0.38382693  0.38955373  0.76681564
   0.15778239  0.73068296 -0.00313183
   0.40784476  0.61343719  0.37501431
   0.11966195  0.96026799  0.14838232
   0.34650801  0.87351542  0.26534026
   0.16043950  0.58268836  0.49122991
   0.36172275  0.68607213  0.83582671
   0.10408445  0.86851075  0.58327287
   0.38246581  0.92308674  0.67848282
   0.66580285  0.12778876  1.00172404
   0.84397531  0.14237638  0.34850594
   0.58048273  0.43815915  0.08873363
   0.89611694  0.36459433  0.17912360
   0.62676294  0.20393498  0.49891491
   0.93563113  0.12582872  0.87652831
   0.63377846  0.46852141  0.64142387
   0.82343930  0.38825528  0.79283378
   0.59003334  0.70547176 -0.02218417
   0.92788282  0.56530715  0.34402103
   0.59152899  0.92223150  0.14514195
   0.85956235  0.86568218  0.24979427
   0.67469632  0.67282053  0.46798106
   0.88101677  0.65947675  0.90133888
   0.68255389  0.91278973  0.60384973
   0.89151506  0.88943169  0.74086894
   0.17490418  0.12145113  0.12100651
   0.36028173  0.20479990  0.29220091
   0.13865993  0.34643361  0.00033409
   0.36086021  0.45371118  0.34449850
   0.50519641  0.37545223  0.17955471
   0.24485957  0.38105916  0.17541370
   0.22788717  0.14502134  0.43857742
  -0.01854696  0.20274779  0.39148988
   0.03770471 -0.00392936  0.52304505
   0.42972123  0.26412723  0.84537552
   0.06665754  0.25374978  0.57674459
   0.34478077  0.51070910  0.84171618
   0.48303708  0.37965454  0.68187678
   0.23338896  0.34733422  0.71649842
   0.27537841  0.10701895 -0.05632947
   0.02313961  0.11158867  0.97952767
   0.22949827  0.60785847  0.07097459
   0.38273406  0.71008603  0.27819176
   0.17455508  0.86851301  0.06053919
   0.39844211  0.95517793  0.36382246
   0.43744834  0.93671369  0.18580894
   0.19726584  0.90472992  0.24332367
   0.29960388  0.64945202  0.45928491
   0.08194941  0.55010792  0.39253762
   0.27111914  0.40961651  0.52211445
   0.35594211  0.75135980  0.73437467
   0.06929328  0.74846487  0.49773813
   0.39933997  0.99012353  0.79266822
   0.52656743  0.88076179  0.63545297
   0.27072632  0.87499088  0.59232269
   0.25222782  0.74896966 -0.09326358
   0.00951959  0.71087537  0.95953023
   0.65781194  0.08187544  0.11876826
   0.81209213  0.21702970  0.23759151
   0.61978336  0.31418695  0.00314709
   0.87822935  0.43879863  0.28414278
   0.00302693  0.47575405  0.13289619
   0.75835885  0.45111661  0.12881946
   0.71119121  0.20599598  0.40253318
   0.47677906  0.15613937  0.46650715
   0.68706462  0.07377126  0.55967439
   0.93010100  0.26520547  0.81594190
   0.62475255  0.35274014  0.54792118
   0.90945732  0.51248533  0.85310585
   1.11026765  0.54907743  0.60653538
   0.78817857  0.40519712  0.67727936
   0.78445062  0.10963999  0.93392427
   0.52702470  0.07807942  0.95561488
   0.52991544  0.58115426  0.03876672
   0.91499907  0.71392669  0.28458080
   0.57571630  0.84828667  0.03907042
   0.85005765  0.97537896  0.33683854
   0.95360982  0.93023463  0.16325518
   0.70443343  0.83750617  0.20626909
   0.81938160  0.60037277  0.43005300
   0.56274650  0.61818821  0.38849700
   0.63075774  0.59947601  0.56506137
   0.84855937  0.75431690  0.81031400
   0.68644077  0.84501689  0.48118229
   0.98859567  1.00530310  0.80658132
   1.00914397  0.83453716  0.67348618
   0.76025355  0.98087425  0.70130337
   0.74976956  0.66240395  0.96823442
   0.51424723  0.70859967  0.87589968
   0.75601137  0.77086727  0.62289929
   0.96147674  0.77286381  0.48024673
   0.92516773  0.25591485  0.11061599
   0.74126685  1.16541377  0.18980936
   0.38041029  0.07470276  0.65415911
   0.31077664  0.33107058  0.49566881
   0.54930205  1.30763138 -0.05477875
  -0.21919285  1.55299120  0.11992764
   0.69217095  0.38372319  0.83990334
   0.62868894  0.59426238  0.70558461
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909230    0.082021   -0.212847
    -0.000000    9.605393    0.104387
    -0.000000    0.000000   14.070407
   Si   O    H 
    32    64    10
Direct configuration=  3444
   0.16523204  0.17206346  0.01361419
   0.36760395  0.10977135  0.39002238
   0.16203369  0.45888266  0.09430813
   0.37030450  0.35845576  0.24951543
   0.07732233  0.15078221  0.47905011
   0.41210348  0.10529176  0.87611978
   0.15945466  0.38604315  0.61639472
   0.38516024  0.38919156  0.76683572
   0.15693241  0.73060781 -0.00375136
   0.40722293  0.61272929  0.37578761
   0.11894056  0.96131039  0.14931347
   0.34495863  0.87336553  0.26581825
   0.16021310  0.58366609  0.49088069
   0.36186507  0.68676988  0.83567080
   0.10624555  0.86786102  0.58333980
   0.38145725  0.92201063  0.67837385
   0.66572883  0.12620801  1.00195701
   0.84432957  0.14338121  0.34811642
   0.58072596  0.43857875  0.08788263
   0.89550909  0.36481789  0.17974863
   0.62677040  0.20404686  0.49756565
   0.93635673  0.12574767  0.87599737
   0.63506421  0.46860423  0.64169291
   0.82413330  0.38814983  0.79226644
   0.58896165  0.70437268 -0.02220181
   0.92895223  0.56494288  0.34360218
   0.59179531  0.92075743  0.14436629
   0.86017414  0.86660925  0.25038039
   0.67454028  0.67332813  0.46757542
   0.88045097  0.65950121  0.90119197
   0.68148924  0.91386401  0.60248580
   0.89168456  0.88911043  0.74144896
   0.17594472  0.12149761  0.12128094
   0.36065207  0.20531727  0.29212815
   0.13644388  0.34781034 -0.00016130
   0.35984051  0.45376678  0.34468533
   0.50459913  0.37646914  0.17935821
   0.24432117  0.37970998  0.17671699
   0.22733615  0.14482505  0.43855209
  -0.01860641  0.20327171  0.39317812
   0.03727956 -0.00179429  0.52228997
   0.43002752  0.26314211  0.84520495
   0.06781068  0.25497413  0.57603968
   0.34483653  0.51151194  0.84331587
   0.48289565  0.38102174  0.68332647
   0.23292605  0.34719540  0.71594456
   0.27497865  0.10686335 -0.05632465
   0.02098900  0.11365251  0.97955526
   0.22954395  0.60822252  0.07209989
   0.38025606  0.70982457  0.27944424
   0.17137585  0.86855523  0.06034280
   0.39800047  0.95333191  0.36304887
   0.43746624  0.93645989  0.18534626
   0.19726465  0.90490149  0.24355895
   0.29944179  0.65050386  0.45914996
   0.08279851  0.54815050  0.39196926
   0.27000172  0.41152661  0.52175264
   0.35443300  0.75368872  0.73311203
   0.06944819  0.74855598  0.49804818
   0.39898694  0.99120928  0.79417772
   0.52425153  0.88126132  0.63541776
   0.27139656  0.87299488  0.59178794
   0.25228687  0.74896834 -0.09361173
   0.00863793  0.71231172  0.96072394
   0.65909204  0.08026691  0.11842492
   0.81263788  0.21731630  0.23776329
   0.61773769  0.31335307  0.00296736
   0.87948763  0.43933056  0.28439031
   0.00273984  0.47436741  0.13319796
   0.75755970  0.45184012  0.12954777
   0.71172433  0.20394274  0.40215897
   0.47587157  0.15667349  0.46509397
   0.68694538  0.07452726  0.56000594
   0.93003234  0.26423325  0.81492882
   0.62730783  0.35174180  0.54938456
   0.90782300  0.51359602  0.85200891
   1.11071874  0.54902012  0.60573486
   0.78895942  0.40684988  0.67776154
   0.78658282  0.10971138  0.93331911
   0.52536395  0.07696612  0.95562586
   0.53259009  0.57976075  0.03824367
   0.91517817  0.71535534  0.28371236
   0.57700099  0.84778004  0.04060491
   0.84775989  0.97314089  0.33753362
   0.95356559  0.92980424  0.16431012
   0.70451553  0.83700097  0.20600616
   0.81985029  0.60030935  0.43095684
   0.56338694  0.61856101  0.38844344
   0.63048726  0.60060143  0.56526575
   0.84832380  0.75434626  0.80938251
   0.68954879  0.84523369  0.47944215
   0.98699718  1.00509148  0.80686484
   1.00941335  0.83304716  0.67339748
   0.76154849  0.98046433  0.70020790
   0.74882501  0.66222708  0.96947440
   0.51512972  0.70854027  0.87568034
   0.75416363  0.77550389  0.62180647
   0.95944883  0.77776963  0.48454613
   0.92090678  0.24749799  0.10911157
   0.75156386  1.16500258  0.19253766
   0.38119581  0.07563568  0.65341267
   0.31982917  0.33052903  0.48943803
   0.55113792  1.30603348 -0.04854001
  -0.22380174  1.54064586  0.11671658
   0.68861157  0.37986023  0.83984782
   0.62606025  0.59420349  0.70555462
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909684    0.080801   -0.211993
    -0.000000    9.604507    0.100021
    -0.000000    0.000000   14.072486
   Si   O    H 
    32    64    10
Direct configuration=  3445
   0.16701402  0.17247638  0.01299055
   0.36969228  0.11041446  0.39050681
   0.16238411  0.45920366  0.09427818
   0.37006006  0.35773993  0.24961072
   0.07677003  0.15192139  0.48027971
   0.41221614  0.10475906  0.87617985
   0.15930087  0.38606950  0.61649096
   0.38633998  0.38879273  0.76708777
   0.15580099  0.73052616 -0.00421988
   0.40612208  0.61154642  0.37616466
   0.11842041  0.96159468  0.14978005
   0.34430562  0.87325159  0.26644048
   0.15956856  0.58393578  0.49036655
   0.36236573  0.68676744  0.83501188
   0.10866446  0.86697325  0.58333774
   0.38097472  0.92087570  0.67865691
   0.66593085  0.12492158  1.00205146
   0.84459649  0.14470782  0.34762576
   0.58119114  0.43920318  0.08704851
   0.89549117  0.36457287  0.18059473
   0.62702705  0.20392166  0.49627141
   0.93694860  0.12620965  0.87591997
   0.63600887  0.46911043  0.64183455
   0.82443034  0.38841248  0.79188479
   0.58802298  0.70379739 -0.02231251
   0.92940953  0.56603063  0.34314294
   0.59173042  0.91903123  0.14380865
   0.86093387  0.86770691  0.25074766
   0.67477891  0.67381144  0.46712455
   0.87930171  0.65919643  0.90043602
   0.68065144  0.91508262  0.60101967
   0.89161978  0.88871774  0.74203150
   0.17670525  0.12154548  0.12178188
   0.36193326  0.20527776  0.29223839
   0.13447442  0.34943646 -0.00092503
   0.35897749  0.45335555  0.34507904
   0.50503645  0.37783113  0.17872702
   0.24380504  0.37826666  0.17811795
   0.22648674  0.14372668  0.43822138
  -0.01815095  0.20446223  0.39486761
   0.03666591 -0.00056164  0.52173270
   0.43041080  0.26249175  0.84454221
   0.06811087  0.25729937  0.57503099
   0.34601772  0.51237768  0.84434962
   0.48377948  0.38322460  0.68402312
   0.23242858  0.34659672  0.71552434
   0.27454821  0.10742681 -0.05625726
   0.01909857  0.11556775  0.97916195
   0.22913938  0.60812503  0.07318755
   0.37745625  0.70903685  0.28006044
   0.16864663  0.86831203  0.06013758
   0.39809548  0.95173868  0.36198512
   0.43842063  0.93588737  0.18479775
   0.19613401  0.90585359  0.24341911
   0.30012326  0.65178777  0.45917758
   0.08315467  0.54558057  0.39153999
   0.26906490  0.41275529  0.52114332
   0.35315787  0.75623057  0.73193289
   0.06854906  0.74986722  0.49813832
   0.39790543  0.99186339  0.79569552
   0.52210352  0.88114155  0.63596899
   0.27138162  0.87040113  0.59096422
   0.25218673  0.74860609 -0.09342935
   0.00812591  0.71312065  0.96193519
   0.65932466  0.07873101  0.11806221
   0.81293389  0.21762493  0.23797113
   0.61620813  0.31152300  0.00340055
   0.88052881  0.44047497  0.28418218
   0.00213196  0.47374354  0.13371211
   0.75524552  0.45117739  0.13007403
   0.71228214  0.20232155  0.40099949
   0.47469509  0.15772031  0.46396399
   0.68605339  0.07525351  0.56041221
   0.93049174  0.26349134  0.81380610
   0.62866607  0.34968072  0.55036715
   0.90601035  0.51376509  0.85043404
   1.11145699  0.54866859  0.60466028
   0.78977274  0.40850578  0.67860057
   0.78830400  0.10889535  0.93277789
   0.52451666  0.07569837  0.95598410
   0.53372903  0.57841450  0.03863241
   0.91507251  0.71612620  0.28330118
   0.57836169  0.84773975  0.04207635
   0.84547423  0.97131995  0.33870546
   0.95315336  0.93081618  0.16492611
   0.70541668  0.83688018  0.20582453
   0.82129499  0.59992738  0.43156829
   0.56424635  0.61886460  0.38802203
   0.63050916  0.60290571  0.56481699
   0.84817640  0.75487319  0.80892426
   0.69256717  0.84494261  0.47762125
   0.98540429  1.00450468  0.80789085
   1.01032786  0.83148120  0.67277459
   0.76342309  0.97996432  0.69929116
   0.74777240  0.66181109  0.97059384
   0.51498005  0.70890089  0.87511094
   0.75221819  0.77924575  0.62183768
   0.97006634  0.77437790  0.48876144
   0.91796509  0.24382686  0.10921396
   0.76512712  1.16192611  0.19429709
   0.37554669  0.07619950  0.65159170
   0.32722958  0.33789599  0.48360740
   0.55023064  1.30621989 -0.04602414
  -0.21592640  1.55262450  0.11322246
   0.68762970  0.37995405  0.83852996
   0.62547153  0.59307057  0.71164246
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910039    0.079861   -0.211043
    -0.000000    9.604160    0.094835
    -0.000000    0.000000   14.074814
   Si   O    H 
    32    64    10
Direct configuration=  3446
   0.16880590  0.17224932  0.01218137
   0.37175844  0.11075856  0.39059760
   0.16220308  0.45946826  0.09426029
   0.36970974  0.35694434  0.24963388
   0.07620922  0.15271790  0.48172397
   0.41238323  0.10418672  0.87611250
   0.15964536  0.38554233  0.61673306
   0.38671783  0.38839939  0.76739710
   0.15465732  0.73081229 -0.00452213
   0.40470903  0.61066061  0.37646490
   0.11784102  0.96173035  0.14966681
   0.34477764  0.87336993  0.26765483
   0.15893206  0.58426556  0.49004747
   0.36261193  0.68647305  0.83468715
   0.11070604  0.86610838  0.58330859
   0.38025687  0.92010686  0.67947018
   0.66620179  0.12377996  1.00191499
   0.84466671  0.14581237  0.34666313
   0.58106103  0.44025091  0.08616628
   0.89561003  0.36386098  0.18149078
   0.62713250  0.20364366  0.49522425
   0.93745315  0.12588264  0.87610128
   0.63611546  0.47004507  0.64188533
   0.82494002  0.38890509  0.79156255
   0.58707626  0.70374343 -0.02251442
   0.92946542  0.56817705  0.34299320
   0.59134876  0.91777086  0.14327360
   0.86159344  0.86818041  0.25159832
   0.67480963  0.67492735  0.46684842
   0.87774390  0.65800547  0.89972889
   0.67962269  0.91629200  0.59954991
   0.89160151  0.88836961  0.74290098
   0.17735644  0.12174214  0.12253525
   0.36341624  0.20485507  0.29275659
   0.13392805  0.35103702 -0.00173912
   0.35862503  0.45304748  0.34476252
   0.50442240  0.37908505  0.17843513
   0.24267365  0.37659610  0.17885477
   0.22598825  0.14304227  0.43777962
  -0.01769733  0.20570648  0.39638231
   0.03586783  0.00032354  0.52089819
   0.43050988  0.26166913  0.84430723
   0.06734325  0.25821512  0.57390370
   0.34711980  0.51373926  0.84490792
   0.48584761  0.38570646  0.68467190
   0.23146278  0.34634851  0.71502323
   0.27530336  0.10827685 -0.05665595
   0.01773631  0.11787471  0.97876474
   0.22812905  0.60866366  0.07403867
   0.37409892  0.70840121  0.28046959
   0.16642025  0.86799761  0.05995656
   0.39857327  0.95021617  0.36126822
   0.43978113  0.93546367  0.18425310
   0.19418107  0.90710422  0.24333605
   0.30164131  0.65299063  0.45921418
   0.08247271  0.54294179  0.39126747
   0.26823615  0.41420924  0.52014457
   0.35105759  0.75921966  0.73047376
   0.06756470  0.75196264  0.49841962
   0.39752347  0.99223163  0.79673203
   0.52022156  0.88088616  0.63626967
   0.26965791  0.86816768  0.59033482
   0.25254541  0.74778996 -0.09321704
   0.00659430  0.71344999  0.96296299
   0.65942181  0.07689779  0.11764351
   0.81395486  0.21797304  0.23833939
   0.61576264  0.30926207  0.00427362
   0.88044301  0.44132397  0.28326939
   0.00279948  0.47357925  0.13408515
   0.75274812  0.45100442  0.13017182
   0.71262397  0.20095831  0.40015267
   0.47366212  0.15927870  0.46266385
   0.68545426  0.07629817  0.56080094
   0.93065557  0.26292417  0.81261181
   0.62979788  0.34850367  0.55167207
   0.90407376  0.51337375  0.84908148
   1.11213906  0.54852583  0.60347867
   0.79057180  0.40974622  0.67958516
   0.78963686  0.10789393  0.93183878
   0.52376419  0.07480203  0.95630250
   0.53481452  0.57693837  0.03904673
   0.91520274  0.71684433  0.28276844
   0.58032584  0.84740246  0.04287568
   0.84336053  0.97031769  0.33980612
   0.95214607  0.93187639  0.16576358
   0.70648765  0.83728569  0.20536071
   0.82240596  0.60036895  0.43248520
   0.56504031  0.61897290  0.38780612
   0.63114477  0.60511474  0.56375129
   0.84900610  0.75516186  0.80827587
   0.69624704  0.84506918  0.47633682
   0.98323955  1.00369390  0.80818371
   1.01062127  0.82986986  0.67233771
   0.76527072  0.97913906  0.69880305
   0.74662209  0.66240724  0.97156980
   0.51564544  0.70906529  0.87479194
   0.75443255  0.78183481  0.62339621
   0.98147988  0.76446591  0.49178520
   0.91565338  0.24613375  0.11028411
   0.77119724  1.15485639  0.18906738
   0.36858762  0.07551385  0.65110829
   0.32757221  0.35029075  0.48271594
   0.54427721  1.30885066 -0.04790235
  -0.20823885  1.55199243  0.10979066
   0.68750098  0.37775248  0.83474422
   0.62451699  0.58390573  0.71983602
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910254    0.079008   -0.209661
    -0.000000    9.604125    0.089778
    -0.000000    0.000000   14.076738
   Si   O    H 
    32    64    10
Direct configuration=  3447
   0.17023355  0.17222455  0.01173615
   0.37366879  0.11160242  0.39058438
   0.16161747  0.45961562  0.09369884
   0.36951286  0.35578122  0.24971467
   0.07610375  0.15332617  0.48336390
   0.41168336  0.10344678  0.87644461
   0.15995853  0.38432531  0.61665313
   0.38610770  0.38776770  0.76763937
   0.15481658  0.73124573 -0.00444314
   0.40328664  0.60935263  0.37665864
   0.11700998  0.96162769  0.14983410
   0.34590393  0.87284492  0.26827805
   0.15806024  0.58438961  0.48995572
   0.36300441  0.68624836  0.83393737
   0.11311930  0.86592051  0.58342724
   0.37985254  0.91898360  0.68090264
   0.66652535  0.12323799  1.00180017
   0.84481940  0.14682171  0.34585162
   0.58134561  0.43962258  0.08586643
   0.89541437  0.36344004  0.18196228
   0.62684546  0.20293461  0.49458731
   0.93769922  0.12555571  0.87610995
   0.63592860  0.47070613  0.64160627
   0.82498390  0.38898472  0.79117366
   0.58642385  0.70395786 -0.02269522
   0.92993425  0.56998502  0.34311541
   0.59118159  0.91676011  0.14307898
   0.86166822  0.86808911  0.25240720
   0.67486920  0.67655218  0.46661607
   0.87648329  0.65717483  0.89913671
   0.67893780  0.91747531  0.59845610
   0.89183197  0.88885965  0.74327951
   0.17820001  0.12171266  0.12348001
   0.36517064  0.20388960  0.29337380
   0.13409374  0.35286206 -0.00260893
   0.35813425  0.45265403  0.34459000
   0.50409451  0.38012532  0.17896741
   0.24106893  0.37529671  0.17994190
   0.22542461  0.14177076  0.43753191
  -0.01820731  0.20693518  0.39730502
   0.03528595  0.00075549  0.52037909
   0.42995037  0.26180940  0.84470716
   0.06701209  0.26001932  0.57326656
   0.34840026  0.51561756  0.84516896
   0.48852647  0.38781120  0.68486517
   0.23056433  0.34600434  0.71512004
   0.27675893  0.10969671 -0.05736669
   0.01712315  0.12031685  0.97807022
   0.22706238  0.60944036  0.07445867
   0.37175238  0.70759909  0.28045519
   0.16470642  0.86757455  0.06013230
   0.39858723  0.94989565  0.36133569
   0.44102916  0.93535991  0.18408339
   0.19219609  0.90763028  0.24344668
   0.30337477  0.65494464  0.45979546
   0.08096017  0.54109604  0.39066339
   0.26737206  0.41516099  0.51957005
   0.34959537  0.76097719  0.72913639
   0.06865118  0.75282099  0.49892972
   0.39792351  0.99223374  0.79708407
   0.51928321  0.88076532  0.63607609
   0.26793933  0.86619832  0.58921811
   0.25254101  0.74699745 -0.09305339
   0.00472836  0.71300346  0.96427500
   0.65992780  0.07553536  0.11685317
   0.81534838  0.21786650  0.23832809
   0.61436958  0.30710491  0.00504725
   0.87952048  0.44174986  0.28217341
   0.00400935  0.47352631  0.13405939
   0.75050677  0.45164933  0.12970001
   0.71305599  0.20027490  0.39911118
   0.47254084  0.16112771  0.46212900
   0.68518290  0.07767674  0.56122863
   0.93161472  0.26265487  0.81160880
   0.63122936  0.34695164  0.55245977
   0.90187162  0.51320649  0.84792813
   1.11240721  0.54791158  0.60255930
   0.79185909  0.41104543  0.68100223
   0.79108665  0.10652558  0.93163758
   0.52325615  0.07395215  0.95625585
   0.53554616  0.57641116  0.03956188
   0.91534443  0.71784931  0.28227888
   0.58233676  0.84662859  0.04359355
   0.84144541  0.96947501  0.34087247
   0.95121929  0.93317968  0.16596524
   0.70726892  0.83764448  0.20490068
   0.82295302  0.60031257  0.43350044
   0.56613982  0.61969778  0.38757468
   0.63150166  0.60673327  0.56283577
   0.84942541  0.75600840  0.80806550
   0.69936036  0.84509243  0.47524025
   0.98099094  1.00276214  0.80773338
   1.01128509  0.82855720  0.67144333
   0.76781489  0.97901491  0.69877359
   0.74616378  0.66309407  0.97231178
   0.51614796  0.70910771  0.87525199
   0.75423995  0.78098507  0.62529672
   0.95110137  0.75592288  0.49108650
   0.91458522  0.25266036  0.11509476
   0.77269454  1.15040779  0.18187170
   0.36059274  0.07490141  0.64909740
   0.32357643  0.36310679  0.48226720
   0.53774389  1.31205362 -0.05324636
  -0.20362119  1.53796145  0.11056009
   0.68713347  0.37530646  0.83138610
   0.62799203  0.57604782  0.72711926
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910262    0.078210   -0.207981
    -0.000000    9.603990    0.084862
    -0.000000    0.000000   14.078820
   Si   O    H 
    32    64    10
Direct configuration=  3448
   0.17158663  0.17263860  0.01167694
   0.37505722  0.11248150  0.39051614
   0.16097629  0.45945608  0.09298847
   0.36913908  0.35457400  0.25018191
   0.07672196  0.15342631  0.48430144
   0.41032134  0.10283201  0.87688325
   0.15992950  0.38290388  0.61690506
   0.38519843  0.38741999  0.76795478
   0.15519290  0.73216013 -0.00426050
   0.40152129  0.60772446  0.37687210
   0.11567230  0.96205050  0.14981321
   0.34690475  0.87209404  0.26881712
   0.15739232  0.58462511  0.48972448
   0.36281071  0.68615208  0.83361863
   0.11421430  0.86667862  0.58369488
   0.37962489  0.91839578  0.68281240
   0.66626872  0.12223817  1.00165532
   0.84472265  0.14786750  0.34509169
   0.58178789  0.43922479  0.08597447
   0.89510354  0.36278925  0.18280783
   0.62654475  0.20239324  0.49370654
   0.93755829  0.12504002  0.87588917
   0.63564659  0.47191826  0.64106995
   0.82457725  0.38919824  0.79069552
   0.58597015  0.70421991 -0.02311516
   0.93015371  0.57147659  0.34318886
   0.59065286  0.91633806  0.14331597
   0.86120115  0.86798408  0.25312656
   0.67554471  0.67825747  0.46652769
   0.87498986  0.65694055  0.89888327
   0.67779259  0.91870742  0.59752816
   0.89205468  0.88915093  0.74352101
   0.17918873  0.12154228  0.12426995
   0.36776876  0.20326360  0.29379608
   0.13451747  0.35451672 -0.00300678
   0.35831285  0.45197743  0.34389974
   0.50407788  0.38072669  0.17902115
   0.23930303  0.37472593  0.18085455
   0.22532486  0.14133167  0.43748068
  -0.01940636  0.20878110  0.39772608
   0.03531664  0.00098262  0.52052104
   0.42908961  0.26361444  0.84502031
   0.06612233  0.26151285  0.57252560
   0.34941904  0.51724721  0.84522850
   0.49118953  0.38902485  0.68448939
   0.23022475  0.34578694  0.71507836
   0.27826023  0.11133580 -0.05838330
   0.01734479  0.12257365  0.97756615
   0.22582396  0.61082598  0.07452235
   0.36927189  0.70704357  0.28088698
   0.16309617  0.86744440  0.06044910
   0.39923047  0.94958706  0.36215834
   0.44208018  0.93572073  0.18385967
   0.18999560  0.90702351  0.24400757
   0.30526362  0.65614750  0.46078673
   0.07973155  0.53872060  0.38977491
   0.26562683  0.41627797  0.51920917
   0.34813244  0.76256688  0.72850465
   0.06852914  0.75353197  0.49900298
   0.39877969  0.99182009  0.79665807
   0.51872057  0.88037838  0.63533377
   0.26664138  0.86444965  0.58823071
   0.25231906  0.74662201 -0.09286293
   0.00233137  0.71197951  0.96560864
   0.66130981  0.07536401  0.11598144
   0.81690840  0.21766711  0.23808982
   0.61279515  0.30537186  0.00581114
   0.87885689  0.44268701  0.28099608
   0.00489962  0.47339486  0.13437936
   0.74847587  0.45222173  0.12911563
   0.71359023  0.19901267  0.39803467
   0.47358044  0.16330604  0.46243845
   0.68434476  0.07847990  0.56168130
   0.93202865  0.26235805  0.81038737
   0.63126791  0.34574064  0.55316935
   0.89953557  0.51293446  0.84685025
   1.11216602  0.54676473  0.60174455
   0.79346137  0.41218682  0.68242281
   0.79184270  0.10608934  0.93197992
   0.52303134  0.07266803  0.95606787
   0.53565978  0.57559273  0.03965559
   0.91492083  0.71897016  0.28180237
   0.58392553  0.84504726  0.04413944
   0.84002980  0.96887650  0.34176299
   0.95121265  0.93455439  0.16642670
   0.70799912  0.83811718  0.20481777
   0.82362748  0.60016893  0.43449622
   0.56723971  0.62077924  0.38761186
   0.63189349  0.60862098  0.56276657
   0.84996555  0.75736375  0.80766280
   0.70130334  0.84404477  0.47446643
   0.97860823  1.00134159  0.80749054
   1.01145142  0.82698651  0.67095979
   0.77011448  0.97849772  0.69885519
   0.74639993  0.66405554  0.97248774
   0.51634260  0.70855451  0.87574464
   0.75384978  0.77907921  0.62583520
   0.93850154  0.74688736  0.49194348
   0.91511577  0.25633702  0.11608957
   0.77329389  1.15228525  0.17978617
   0.35286064  0.07067371  0.64602377
   0.32395022  0.36626482  0.47659712
   0.53574536  1.31602964 -0.05614353
  -0.19863019  1.52318956  0.11036620
   0.68403650  0.37587090  0.82915641
   0.63201157  0.56801251  0.73267184
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910557    0.078262   -0.206330
    -0.000000    9.603850    0.080638
    -0.000000    0.000000   14.080675
   Si   O    H 
    32    64    10
Direct configuration=  3449
   0.17248364  0.17315609  0.01146684
   0.37544337  0.11313857  0.39033166
   0.16064536  0.45916759  0.09221534
   0.36977181  0.35389431  0.25030301
   0.07765841  0.15450240  0.48518199
   0.40894759  0.10204159  0.87721543
   0.15993206  0.38218783  0.61740283
   0.38381993  0.38680069  0.76794696
   0.15570149  0.73212629 -0.00419535
   0.40079622  0.60612948  0.37712639
   0.11444514  0.96223946  0.14956752
   0.34794832  0.87111944  0.26913761
   0.15630072  0.58493743  0.49026388
   0.36284993  0.68566247  0.83337219
   0.11455717  0.86725705  0.58375045
   0.38011361  0.91776080  0.68442785
   0.66615459  0.12085915  1.00102856
   0.84497593  0.14823009  0.34465912
   0.58253231  0.43844334  0.08646125
   0.89461086  0.36231836  0.18358313
   0.62626023  0.20257318  0.49310264
   0.93664475  0.12494687  0.87582274
   0.63607052  0.47331460  0.64041376
   0.82431986  0.38924025  0.79045997
   0.58564435  0.70465534 -0.02326260
   0.92942101  0.57362544  0.34352014
   0.59004930  0.91624072  0.14371444
   0.86020970  0.86810445  0.25351932
   0.67684444  0.67944342  0.46644168
   0.87354857  0.65708531  0.89890911
   0.67664924  0.91989293  0.59673022
   0.89267482  0.88937563  0.74387425
   0.17980408  0.12190227  0.12495105
   0.37074155  0.20193364  0.29402651
   0.13597472  0.35600962 -0.00292016
   0.35896626  0.45195350  0.34273073
   0.50490810  0.38111932  0.17916890
   0.23801792  0.37504481  0.18189837
   0.22510894  0.14066463  0.43804892
  -0.02063121  0.21030479  0.39842014
   0.03569114  0.00074435  0.52135203
   0.42839207  0.26585312  0.84640400
   0.06623402  0.26341290  0.57146175
   0.35058000  0.51873192  0.84526616
   0.49344230  0.39005908  0.68416289
   0.23034872  0.34508108  0.71513755
   0.27812365  0.11269234 -0.05953162
   0.01843139  0.12451909  0.97706810
   0.22375806  0.61200285  0.07458682
   0.36727710  0.70592201  0.28080727
   0.16171746  0.86752746  0.06099519
   0.40000235  0.94992898  0.36330478
   0.44357485  0.93619358  0.18388342
   0.18871654  0.90664670  0.24487671
   0.30718431  0.65711933  0.46179081
   0.07847000  0.53705168  0.38890077
   0.26453971  0.41816475  0.51900310
   0.34600952  0.76381421  0.72821833
   0.06705995  0.75424086  0.49910479
   0.39981294  0.99093460  0.79645917
   0.51902670  0.87926123  0.63426118
   0.26601987  0.86311826  0.58753173
   0.25140748  0.74682256 -0.09243442
  -0.00014086  0.71109859  0.96626172
   0.66226578  0.07509430  0.11409020
   0.81770670  0.21687462  0.23748787
   0.61185211  0.30388836  0.00639689
   0.87887234  0.44386857  0.28023263
   0.00556406  0.47384056  0.13417085
   0.74667384  0.45159585  0.12854119
   0.71394160  0.19814114  0.39675125
   0.47574933  0.16553688  0.46301718
   0.68329652  0.07885340  0.56190479
   0.93123921  0.26199800  0.80898607
   0.63152683  0.34440308  0.55317687
   0.89698198  0.51253176  0.84611872
   1.11177461  0.54495518  0.60048195
   0.79472902  0.41353933  0.68337975
   0.79264418  0.10595567  0.93258694
   0.52322432  0.07058441  0.95558853
   0.53506847  0.57526970  0.03983785
   0.91528020  0.71968796  0.28162019
   0.58499476  0.84262052  0.04431557
   0.83923508  0.96902692  0.34281215
   0.95078171  0.93633527  0.16645592
   0.70900723  0.83844589  0.20466131
   0.82380951  0.60035893  0.43533411
   0.56848909  0.62172402  0.38786525
   0.63117132  0.61009418  0.56259122
   0.85060308  0.75892313  0.80777569
   0.70350785  0.84333155  0.47388650
   0.97639008  1.00025544  0.80708530
   1.01169795  0.82616025  0.67022435
   0.77210571  0.97844052  0.69881808
   0.74629309  0.66453300  0.97266524
   0.51670413  0.70831438  0.87622539
   0.75373041  0.77776876  0.62585965
   0.94057510  0.73489174  0.49502595
   0.92026068  0.26142171  0.11493039
   0.77441088  1.16026498  0.18141837
   0.34570626  0.06317264  0.64491750
   0.32696374  0.36524798  0.47025146
   0.54362011  1.31977422 -0.05488653
  -0.18735249  1.52090775  0.10341770
   0.68360467  0.37561780  0.82716392
   0.63330641  0.56482062  0.73123728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910756    0.077902   -0.204931
    -0.000000    9.603477    0.077209
    -0.000000    0.000000   14.082268
   Si   O    H 
    32    64    10
Direct configuration=  3450
   0.17254915  0.17389355  0.01174816
   0.37552350  0.11344333  0.38979129
   0.16015079  0.45853489  0.09174495
   0.37043865  0.35357086  0.24991132
   0.07898655  0.15539421  0.48619709
   0.40725815  0.10212972  0.87697714
   0.15957961  0.38102616  0.61749368
   0.38283292  0.38623252  0.76824296
   0.15598739  0.73209406 -0.00355073
   0.40093150  0.60492173  0.37764511
   0.11348316  0.96323780  0.14941372
   0.34869725  0.86999648  0.26885100
   0.15565198  0.58537127  0.49098138
   0.36311862  0.68531735  0.83280665
   0.11414960  0.86797904  0.58379783
   0.38075828  0.91758047  0.68578943
   0.66536430  0.11986286  1.00025798
   0.84451047  0.14752329  0.34414126
   0.58295008  0.43758716  0.08740296
   0.89479361  0.36148721  0.18385015
   0.62625233  0.20244437  0.49267149
   0.93559462  0.12480732  0.87578105
   0.63616478  0.47495837  0.63985574
   0.82391149  0.38912342  0.79044038
   0.58621822  0.70546388 -0.02358065
   0.92871321  0.57558400  0.34376790
   0.58947294  0.91591007  0.14399881
   0.85930628  0.86803330  0.25334380
   0.67832835  0.68130161  0.46608008
   0.87190814  0.65743953  0.89873525
   0.67534394  0.92059883  0.59570204
   0.89294158  0.88960710  0.74429763
   0.18031518  0.12158991  0.12496767
   0.37300395  0.20004494  0.29430396
   0.13719282  0.35707982 -0.00245361
   0.35934542  0.45228692  0.34172641
   0.50534418  0.38110965  0.17951483
   0.23656159  0.37552843  0.18258144
   0.22478087  0.13954623  0.43943921
  -0.02240595  0.21151293  0.39919962
   0.03674249  0.00058714  0.52232560
   0.42769160  0.26714131  0.84731616
   0.06558725  0.26529581  0.57112297
   0.35122378  0.51988739  0.84448966
   0.49560013  0.39114304  0.68402150
   0.23075900  0.34512827  0.71586163
   0.27765411  0.11405054 -0.06025322
   0.01985095  0.12691009  0.97705365
   0.22160038  0.61374085  0.07433835
   0.36552605  0.70449716  0.28014116
   0.16008337  0.86718655  0.06108884
   0.40165552  0.95111652  0.36382330
   0.44486501  0.93690518  0.18432348
   0.18819108  0.90641298  0.24557099
   0.30888309  0.65742145  0.46264735
   0.07706498  0.53600685  0.38836855
   0.26405187  0.41920338  0.51849923
   0.34402425  0.76362797  0.72828276
   0.06492702  0.75418334  0.49867536
   0.40063242  0.98972401  0.79590475
   0.51962530  0.87801959  0.63290951
   0.26650849  0.86223749  0.58681973
   0.25095924  0.74752077 -0.09202723
  -0.00349405  0.70984046  0.96675791
   0.66418509  0.07454574  0.11228089
   0.81849867  0.21609603  0.23690330
   0.61102283  0.30382882  0.00620038
   0.87851721  0.44496216  0.27990771
   0.00609328  0.47404888  0.13443976
   0.74477084  0.45153682  0.12821515
   0.71361913  0.19734702  0.39557187
   0.47827278  0.16791150  0.46349153
   0.68174193  0.07992076  0.56222067
   0.93032190  0.26060739  0.80772667
   0.63176695  0.34309919  0.55280440
   0.89434389  0.51254023  0.84544219
   1.11199420  0.54323719  0.59970490
   0.79629742  0.41468694  0.68305816
   0.79331683  0.10646669  0.93295804
   0.52321331  0.06922839  0.95544568
   0.53477307  0.57495349  0.03943400
   0.91605627  0.71946876  0.28174891
   0.58515260  0.84054609  0.04444807
   0.83799246  0.96994908  0.34384004
   0.95094315  0.93825454  0.16622641
   0.70954661  0.83864425  0.20454643
   0.82348718  0.60067420  0.43664197
   0.57000067  0.62287842  0.38775108
   0.63083509  0.61062638  0.56273581
   0.85129557  0.76064043  0.80778332
   0.70479189  0.84315673  0.47417325
   0.97414832  0.99971190  0.80695896
   1.01170287  0.82550575  0.66951352
   0.77358948  0.97749264  0.69824098
   0.74568280  0.66495813  0.97279531
   0.51733784  0.70897628  0.87664303
   0.75278642  0.77703043  0.62368146
   0.95543507  0.72328981  0.49654868
   0.92545579  0.26433477  0.10977299
   0.76996371  1.16768521  0.18636056
   0.34125824  0.05879503  0.64520489
   0.32536436  0.36290941  0.46975597
   0.55927483  1.32216525 -0.04865510
  -0.18448969  1.51511576  0.09585469
   0.68659636  0.37509051  0.82561240
   0.63710037  0.56391054  0.72633182
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910915    0.077671   -0.203919
    -0.000000    9.602631    0.073528
    -0.000000    0.000000   14.083185
   Si   O    H 
    32    64    10
Direct configuration=  3451
   0.17153667  0.17485203  0.01179259
   0.37520135  0.11362963  0.38918761
   0.15987039  0.45746111  0.09132476
   0.37074579  0.35345451  0.24966711
   0.08063436  0.15565473  0.48744126
   0.40586129  0.10205387  0.87670952
   0.15942886  0.38024344  0.61730702
   0.38158422  0.38625123  0.76825556
   0.15622392  0.73194981 -0.00267647
   0.40142007  0.60427342  0.37815557
   0.11242309  0.96388561  0.14892217
   0.34947688  0.86905458  0.26857680
   0.15516418  0.58576395  0.49179512
   0.36364442  0.68514800  0.83204814
   0.11315292  0.86895640  0.58373563
   0.38121258  0.91747486  0.68696305
   0.66516141  0.11866122  0.99920067
   0.84458791  0.14694383  0.34401121
   0.58356149  0.43644940  0.08877048
   0.89554869  0.36116777  0.18389901
   0.62689788  0.20209878  0.49275308
   0.93503319  0.12483542  0.87581453
   0.63629250  0.47563539  0.63918163
   0.82368723  0.38834497  0.79037188
   0.58737567  0.70655050 -0.02303446
   0.92781968  0.57753323  0.34404297
   0.58947274  0.91544508  0.14460384
   0.85889518  0.86797435  0.25272426
   0.68026578  0.68247148  0.46548916
   0.87003234  0.65741582  0.89858412
   0.67460680  0.92134785  0.59513617
   0.89327092  0.88951748  0.74451775
   0.18061166  0.12098285  0.12467487
   0.37492600  0.19888414  0.29308074
   0.13846575  0.35744233 -0.00205795
   0.35988753  0.45227029  0.34165884
   0.50596628  0.38071008  0.17982160
   0.23519501  0.37676126  0.18302223
   0.22543125  0.13967735  0.44033006
  -0.02362410  0.21240926  0.39978813
   0.03744362  0.00071818  0.52278262
   0.42700609  0.26853518  0.84831826
   0.06512874  0.26695945  0.57135378
   0.35153786  0.52116771  0.84381167
   0.49680180  0.39262010  0.68446646
   0.23182195  0.34442680  0.71652974
   0.27684784  0.11516895 -0.06058164
   0.02106934  0.12928312  0.97688892
   0.21949360  0.61552717  0.07374014
   0.36394137  0.70320869  0.27974336
   0.15812840  0.86708126  0.06205439
   0.40381800  0.95205739  0.36442263
   0.44551788  0.93740401  0.18463045
   0.18800645  0.90647814  0.24657388
   0.30998197  0.65752036  0.46330992
   0.07705823  0.53550674  0.38844383
   0.26438972  0.41919411  0.51755656
   0.34232567  0.76242598  0.72890116
   0.06224593  0.75370528  0.49833698
   0.40201920  0.98822653  0.79549777
   0.52067401  0.87643179  0.63144660
   0.26756953  0.86179328  0.58625921
   0.25159785  0.74839335 -0.09149530
  -0.00575772  0.70853741  0.96703681
   0.66586927  0.07397513  0.11077340
   0.81878759  0.21597316  0.23611760
   0.61100108  0.30360892  0.00663475
   0.87705997  0.44551938  0.28006351
   0.00624585  0.47564251  0.13429802
   0.74328682  0.45201150  0.12754312
   0.71362844  0.19683882  0.39394868
   0.47998992  0.17027943  0.46375607
   0.67983475  0.08127993  0.56261838
   0.92942699  0.25913816  0.80642071
   0.63260338  0.34244991  0.55211977
   0.89149435  0.51278887  0.84592675
   1.11253531  0.54132418  0.59923891
   0.79812510  0.41581200  0.68215786
   0.79372897  0.10691027  0.93359374
   0.52375041  0.06725545  0.95527455
   0.53428699  0.57511118  0.03922897
   0.91674135  0.71875948  0.28213230
   0.58534732  0.83834961  0.04373096
   0.83713488  0.97104861  0.34455945
   0.95107375  0.93955457  0.16607292
   0.71020547  0.83904237  0.20449896
   0.82368057  0.60070095  0.43720033
   0.57109469  0.62384868  0.38803052
   0.63077542  0.61037858  0.56299888
   0.85247081  0.76308002  0.80779608
   0.70570011  0.84313858  0.47434839
   0.97226161  1.00033203  0.80715090
   1.01196637  0.82474427  0.66887379
   0.77454244  0.97656923  0.69797071
   0.74581555  0.66525697  0.97303955
   0.51805759  0.71046854  0.87694561
   0.75027355  0.77622317  0.62180342
   0.97845349  0.72055617  0.49883306
   0.92869611  0.26624719  0.10827802
   0.75662010  1.17087958  0.18701328
   0.33941810  0.05537524  0.64698114
   0.32180326  0.36495665  0.47490021
   0.56692346  1.32851863 -0.05094683
  -0.18968282  1.50048912  0.09301342
   0.69100885  0.37382100  0.82819488
   0.63885885  0.57127680  0.72351353
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.910994    0.077241   -0.203175
    -0.000000    9.602195    0.069958
    -0.000000    0.000000   14.083796
   Si   O    H 
    32    64    10
Direct configuration=  3452
   0.17015046  0.17625477  0.01176094
   0.37421697  0.11369867  0.38898145
   0.15896934  0.45686047  0.09135757
   0.37136233  0.35355907  0.24941222
   0.08144522  0.15525420  0.48785980
   0.40411739  0.10212670  0.87637078
   0.15919392  0.37981375  0.61683819
   0.38032988  0.38629074  0.76824780
   0.15643331  0.73159465 -0.00211279
   0.40136152  0.60374131  0.37857023
   0.11194085  0.96541857  0.14810801
   0.35024744  0.86842582  0.26844621
   0.15449303  0.58635698  0.49322626
   0.36403925  0.68554725  0.83148989
   0.11185902  0.87013845  0.58359964
   0.38073622  0.91750548  0.68757838
   0.66473330  0.11683146  0.99831460
   0.84476618  0.14596613  0.34361355
   0.58442120  0.43554741  0.09009519
   0.89634967  0.36065472  0.18383956
   0.62748612  0.20151799  0.49310339
   0.93503401  0.12493713  0.87553846
   0.63673487  0.47621240  0.63863628
   0.82360006  0.38765074  0.79025156
   0.58852111  0.70726013 -0.02197593
   0.92691812  0.57969675  0.34466212
   0.59007670  0.91504420  0.14528120
   0.85840451  0.86814197  0.25227452
   0.68231714  0.68300645  0.46520899
   0.86847023  0.65755999  0.89823156
   0.67383184  0.92175932  0.59502222
   0.89322661  0.88914502  0.74475809
   0.18136857  0.12067121  0.12407981
   0.37629139  0.19825761  0.29120430
   0.13955134  0.35705409 -0.00128074
   0.35972895  0.45180814  0.34182161
   0.50633354  0.37936808  0.18034237
   0.23412662  0.37759209  0.18291617
   0.22722139  0.14040381  0.44075512
  -0.02514982  0.21183632  0.39993005
   0.03876042  0.00037762  0.52358316
   0.42652050  0.27030841  0.84932557
   0.06448804  0.26818968  0.57241845
   0.35257403  0.52149827  0.84244682
   0.49749852  0.39430861  0.68463492
   0.23224037  0.34484325  0.71703979
   0.27639617  0.11569860 -0.06109461
   0.02313850  0.13210035  0.97657926
   0.21680336  0.61532510  0.07322201
   0.36173312  0.70131139  0.27962900
   0.15614563  0.86720356  0.06256247
   0.40522321  0.95317747  0.36485759
   0.44587688  0.93794707  0.18489464
   0.18835699  0.90637085  0.24716793
   0.31017643  0.65737096  0.46444059
   0.07686755  0.53473342  0.38878929
   0.26462673  0.41895224  0.51727270
   0.34128044  0.76065140  0.72961413
   0.06119396  0.75356893  0.49792172
   0.40333783  0.98625231  0.79514226
   0.52225427  0.87579027  0.63023698
   0.26864864  0.86163214  0.58605767
   0.25271796  0.74928443 -0.09074469
  -0.00794046  0.70743159  0.96739797
   0.66655062  0.07329330  0.10890814
   0.81874885  0.21608110  0.23512260
   0.61175470  0.30294327  0.00758724
   0.87547606  0.44640273  0.28044244
   0.00588098  0.47797983  0.13410384
   0.74157006  0.45142362  0.12685192
   0.71342572  0.19650190  0.39333249
   0.48076275  0.17281688  0.46416446
   0.67792872  0.08278001  0.56274593
   0.92842079  0.25836070  0.80574506
   0.63335164  0.34199286  0.55158979
   0.88919805  0.51397900  0.84655968
   1.11304150  0.53999248  0.59861937
   0.79952025  0.41658920  0.68026542
   0.79468188  0.10690509  0.93421232
   0.52396363  0.06582381  0.95470003
   0.53275842  0.57430139  0.03857694
   0.91783316  0.71748725  0.28243236
   0.58509657  0.83673360  0.04305504
   0.83742929  0.97265087  0.34561793
   0.95174749  0.94097146  0.16601650
   0.71116885  0.83922790  0.20467881
   0.82331804  0.60153160  0.43768934
   0.57174526  0.62460702  0.38833526
   0.63103497  0.61047071  0.56352252
   0.85337472  0.76425321  0.80775412
   0.70649128  0.84393952  0.47438761
   0.97217930  1.00057093  0.80751942
   1.01245169  0.82400162  0.66841404
   0.77443046  0.97529795  0.69781650
   0.74606716  0.66564112  0.97235605
   0.51882363  0.71193495  0.87690596
   0.74462053  0.77389651  0.62138884
   0.97161789  0.71002147  0.50106736
   0.92929470  0.26433051  0.10859919
   0.74502491  1.16949557  0.18555050
   0.33799633  0.05531797  0.65095967
   0.31876847  0.36152139  0.47990160
   0.56781024  1.33861971 -0.05947013
  -0.19130487  1.49106405  0.08477822
   0.68995421  0.36989594  0.82973520
   0.64355950  0.57833858  0.72299470
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911228    0.077380   -0.202390
    -0.000000    9.601513    0.066306
    -0.000000    0.000000   14.084116
   Si   O    H 
    32    64    10
Direct configuration=  3453
   0.16880376  0.17772294  0.01162280
   0.37292036  0.11408633  0.38877042
   0.15820991  0.45606831  0.09163316
   0.37150010  0.35367906  0.24883591
   0.08093077  0.15482495  0.48782974
   0.40313766  0.10190599  0.87628154
   0.15957080  0.37950187  0.61603801
   0.37992517  0.38695795  0.76810228
   0.15626488  0.73118317 -0.00160982
   0.40173683  0.60412863  0.37865005
   0.11243444  0.96744942  0.14776638
   0.35058689  0.86792705  0.26809760
   0.15397753  0.58661711  0.49423141
   0.36396254  0.68641994  0.83051804
   0.11009253  0.87152713  0.58338812
   0.38058421  0.91776621  0.68815911
   0.66446833  0.11526789  0.99718532
   0.84513052  0.14471372  0.34346476
   0.58482329  0.43458685  0.09101840
   0.89732116  0.36076647  0.18360386
   0.62810947  0.20087531  0.49349710
   0.93520741  0.12564587  0.87503929
   0.63745566  0.47672380  0.63843455
   0.82367315  0.38716047  0.78992366
   0.58975974  0.70724464 -0.02055457
   0.92593982  0.58185206  0.34514665
   0.59121599  0.91440597  0.14568160
   0.85800674  0.86876937  0.25192030
   0.68468930  0.68280655  0.46492275
   0.86758535  0.65746440  0.89769742
   0.67324963  0.92207228  0.59485363
   0.89309179  0.88861650  0.74426105
   0.18144978  0.12096396  0.12386997
   0.37830552  0.19757563  0.28895200
   0.14092948  0.35661292 -0.00049974
   0.35948852  0.45116708  0.34159370
   0.50694395  0.37856173  0.18113878
   0.23357840  0.37904221  0.18249209
   0.22871382  0.14090718  0.44127898
  -0.02659379  0.21186257  0.40087487
   0.04071264  0.00086175  0.52386834
   0.42538729  0.27178441  0.85039737
   0.06355366  0.26844700  0.57390798
   0.35392945  0.51969390  0.84064939
   0.49753741  0.39521309  0.68495479
   0.23216161  0.34539095  0.71721116
   0.27547828  0.11624319 -0.06131433
   0.02392168  0.13473323  0.97615977
   0.21453500  0.61409625  0.07283145
   0.36019528  0.69937871  0.27987537
   0.15422835  0.86696343  0.06298298
   0.40617230  0.95332509  0.36521065
   0.44641808  0.93829887  0.18548239
   0.18834480  0.90587098  0.24767185
   0.31003762  0.65649833  0.46506146
   0.07732820  0.53424893  0.38868527
   0.26403573  0.41868242  0.51761143
   0.34002505  0.75931825  0.73010537
   0.06070177  0.75334147  0.49694552
   0.40457586  0.98483833  0.79477922
   0.52411425  0.87548989  0.62911623
   0.26925074  0.86176620  0.58531957
   0.25467290  0.75042200 -0.08992022
  -0.00952932  0.70712578  0.96744505
   0.66748660  0.07259856  0.10757361
   0.81859223  0.21561918  0.23378526
   0.61248037  0.30286471  0.00786880
   0.87397398  0.44733413  0.28147121
   0.00586677  0.47952985  0.13437682
   0.74039156  0.45129145  0.12659158
   0.71252127  0.19728871  0.39339027
   0.48083152  0.17506322  0.46435168
   0.67581424  0.08382215  0.56312999
   0.92751340  0.25791550  0.80487013
   0.63397717  0.34228290  0.55092646
   0.88754375  0.51469935  0.84715737
   1.11359214  0.53968646  0.59800224
   0.80047678  0.41803073  0.67808178
   0.79548847  0.10681435  0.93453824
   0.52436271  0.06495108  0.95420233
   0.53074880  0.57279989  0.03781820
   0.91942256  0.71724571  0.28300237
   0.58405107  0.83491627  0.04258533
   0.83801784  0.97407320  0.34655113
   0.95208066  0.94199570  0.16631163
   0.71219953  0.83862319  0.20530715
   0.82376548  0.60204880  0.43744158
   0.57188581  0.62483600  0.38845791
   0.63142291  0.61058110  0.56360450
   0.85425126  0.76517580  0.80844795
   0.70705997  0.84579432  0.47498675
   0.97225006  1.00064249  0.80773418
   1.01334035  0.82274187  0.66805892
   0.77374155  0.97381493  0.69703203
   0.74662745  0.66620381  0.97175834
   0.51931338  0.71385827  0.87656438
   0.73890816  0.77259141  0.62114002
   0.96061414  0.70231265  0.50574271
   0.93121543  0.26303746  0.11188760
   0.74106084  1.16960195  0.18346013
   0.33730872  0.05726889  0.65568694
   0.31680522  0.35223230  0.48093768
   0.56875350  1.34027818 -0.06305295
  -0.19101093  1.48244338  0.07683906
   0.68580569  0.36785498  0.83102951
   0.64686344  0.58837406  0.72175434
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911442    0.077785   -0.200978
    -0.000000    9.600774    0.062487
    -0.000000    0.000000   14.084400
   Si   O    H 
    32    64    10
Direct configuration=  3454
   0.16707822  0.17957948  0.01152349
   0.37139038  0.11413192  0.38887753
   0.15756456  0.45534783  0.09224209
   0.37120767  0.35433938  0.24829075
   0.08046752  0.15424829  0.48788059
   0.40243930  0.10141151  0.87573740
   0.16108897  0.37951181  0.61509320
   0.37953476  0.38789952  0.76784318
   0.15564090  0.73099657 -0.00137613
   0.40217855  0.60487124  0.37888346
   0.11311623  0.96891173  0.14743430
   0.35042608  0.86700807  0.26743127
   0.15364335  0.58707913  0.49448717
   0.36362233  0.68706107  0.83021226
   0.10877025  0.87298799  0.58299571
   0.38017232  0.91779623  0.68867857
   0.66363612  0.11408994  0.99630016
   0.84564910  0.14429083  0.34388225
   0.58581652  0.43388839  0.09135216
   0.89838969  0.36094813  0.18364361
   0.62916048  0.20112021  0.49427487
   0.93530260  0.12620084  0.87469949
   0.63822884  0.47724977  0.63825529
   0.82330817  0.38699063  0.78963669
   0.59111578  0.70652269 -0.01999103
   0.92568729  0.58262251  0.34568694
   0.59215852  0.91365749  0.14563078
   0.85786992  0.87031779  0.25161470
   0.68715758  0.68232696  0.46456661
   0.86670785  0.65769641  0.89759553
   0.67347612  0.92233057  0.59462285
   0.89276468  0.88773757  0.74350651
   0.18149924  0.12155936  0.12360609
   0.38025512  0.19676905  0.28728053
   0.14101905  0.35577139  0.00048092
   0.36043625  0.44998751  0.34101752
   0.50679405  0.37815737  0.18145194
   0.23324025  0.38071035  0.18265698
   0.23032240  0.14174494  0.44178339
  -0.02737271  0.21181197  0.40163933
   0.04246657  0.00122895  0.52399418
   0.42535523  0.27340078  0.85140047
   0.06305004  0.26846538  0.57519849
   0.35521380  0.51717108  0.83846706
   0.49790164  0.39607848  0.68478729
   0.23235504  0.34596136  0.71815444
   0.27312993  0.11640495 -0.06107451
   0.02395675  0.13660386  0.97541879
   0.21271598  0.61226601  0.07263754
   0.35901547  0.69812623  0.27987001
   0.15320150  0.86721094  0.06399449
   0.40675297  0.95305688  0.36579772
   0.44671523  0.93906246  0.18618809
   0.18827145  0.90619549  0.24785015
   0.30937145  0.65501140  0.46567246
   0.07782239  0.53311388  0.38881237
   0.26334843  0.41838800  0.51830650
   0.33936362  0.75844164  0.73123179
   0.05905945  0.75182873  0.49599812
   0.40617180  0.98264465  0.79494223
   0.52489105  0.87480588  0.62814934
   0.27004907  0.86166066  0.58424515
   0.25683191  0.75155170 -0.08963906
  -0.00984596  0.70696717  0.96785091
   0.66750573  0.07284852  0.10679878
   0.81776596  0.21484335  0.23217089
   0.61296992  0.30307611  0.00803356
   0.87234911  0.44882963  0.28212091
   0.00618819  0.48137970  0.13476858
   0.73965529  0.45134608  0.12652512
   0.71080549  0.19824779  0.39374566
   0.47951415  0.17680919  0.46443131
   0.67307108  0.08379709  0.56407049
   0.92704883  0.25829754  0.80367219
   0.63436535  0.34307911  0.55074027
   0.88610722  0.51479641  0.84853091
   1.11431450  0.53990646  0.59773702
   0.80069099  0.41932868  0.67575649
   0.79565217  0.10752103  0.93543123
   0.52426587  0.06284265  0.95386565
   0.52890805  0.57115333  0.03810319
   0.92122063  0.71736193  0.28328450
   0.58257682  0.83366327  0.04288633
   0.83934877  0.97518135  0.34676324
   0.95228014  0.94395724  0.16656787
   0.71243215  0.83828793  0.20579277
   0.82475495  0.60218907  0.43629944
   0.57111215  0.62531930  0.38817923
   0.63067886  0.61043546  0.56341507
   0.85514316  0.76507907  0.80967769
   0.70699139  0.84709534  0.47543439
   0.97255611  1.00112030  0.80806386
   1.01417002  0.82224592  0.66789728
   0.77197368  0.97311389  0.69606788
   0.74788664  0.66638964  0.97139883
   0.51946529  0.71582803  0.87631657
   0.73450335  0.77835049  0.61912332
   0.95983872  0.69995254  0.50819865
   0.93426237  0.25855717  0.11071474
   0.74802838  1.17011867  0.18368150
   0.33531059  0.06399265  0.66049520
   0.31150671  0.34384351  0.48007019
   0.57520147  1.33677159 -0.06118690
  -0.19528280  1.47242664  0.07323689
   0.68751338  0.36390148  0.83579686
   0.65142925  0.59309773  0.72003151
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911915    0.078338   -0.199238
    -0.000000    9.600055    0.059422
    -0.000000    0.000000   14.083769
   Si   O    H 
    32    64    10
Direct configuration=  3455
   0.16538294  0.18139347  0.01163799
   0.37056204  0.11419665  0.38896526
   0.15677441  0.45460162  0.09343659
   0.37083490  0.35509569  0.24766947
   0.07978925  0.15302522  0.48716321
   0.40256709  0.10089546  0.87536297
   0.16240388  0.37996657  0.61417394
   0.38017892  0.38836239  0.76760970
   0.15502135  0.73055440 -0.00123135
   0.40307715  0.60561044  0.37870551
   0.11376391  0.96974483  0.14701886
   0.35022219  0.86639151  0.26686864
   0.15398110  0.58781692  0.49424978
   0.36372681  0.68811232  0.83017954
   0.10860083  0.87398860  0.58231225
   0.37950038  0.91780293  0.68894353
   0.66249907  0.11374497  0.99565429
   0.84656761  0.14364347  0.34433985
   0.58665097  0.43367266  0.09231600
   0.90007370  0.36149000  0.18375510
   0.63068878  0.20132349  0.49490398
   0.93491443  0.12653659  0.87500999
   0.63932703  0.47709243  0.63822491
   0.82280172  0.38721990  0.78927541
   0.59214217  0.70559403 -0.01953191
   0.92613160  0.58274929  0.34611305
   0.59401837  0.91309508  0.14537708
   0.85766272  0.87179033  0.25111943
   0.68876884  0.68174518  0.46435862
   0.86589628  0.65863359  0.89735899
   0.67370539  0.92180662  0.59450113
   0.89273285  0.88723658  0.74233484
   0.18155360  0.12095396  0.12296638
   0.38241510  0.19600474  0.28550743
   0.14099364  0.35531866  0.00123727
   0.36143770  0.44940804  0.34097349
   0.50648809  0.37855543  0.18134994
   0.23322300  0.38172389  0.18240229
   0.23123224  0.14326600  0.44279545
  -0.02841242  0.21158383  0.40216382
   0.04335101  0.00174083  0.52467524
   0.42581724  0.27454396  0.85176524
   0.06301612  0.26822219  0.57620952
   0.35580587  0.51527016  0.83623889
   0.49814480  0.39753988  0.68479722
   0.23202046  0.34684687  0.71844647
   0.27143979  0.11648387 -0.06063536
   0.02353170  0.13788049  0.97425029
   0.21146704  0.61120984  0.07266561
   0.35739888  0.69793651  0.27989798
   0.15154488  0.86724238  0.06569288
   0.40668259  0.95273304  0.36626350
   0.44653828  0.93969334  0.18729319
   0.18769079  0.90671686  0.24834515
   0.30763868  0.65262622  0.46660203
   0.07859421  0.53230476  0.38928960
   0.26323430  0.41826844  0.51852096
   0.33919941  0.75733093  0.73258684
   0.05659943  0.74993335  0.49564384
   0.40745488  0.98179152  0.79540017
   0.52461086  0.87459374  0.62716502
   0.27034272  0.86159713  0.58357514
   0.25875770  0.75275547 -0.08937944
  -0.00936322  0.70694005  0.96774660
   0.66797725  0.07327903  0.10649844
   0.81579986  0.21418198  0.23105493
   0.61263646  0.30270752  0.00774122
   0.87107461  0.45008089  0.28307286
   0.00576719  0.48325099  0.13509149
   0.74007986  0.45134655  0.12621137
   0.70928498  0.19959068  0.39469998
   0.47708413  0.17784015  0.46416074
   0.67039791  0.08340792  0.56461205
   0.92709921  0.25826806  0.80279595
   0.63476196  0.34407810  0.55068448
   0.88545831  0.51389162  0.84913622
   1.11373815  0.54020162  0.59817387
   0.80075367  0.42011762  0.67369987
   0.79671804  0.10813207  0.93657592
   0.52452411  0.06068610  0.95351290
   0.52765484  0.56883258  0.03841059
   0.92270822  0.71904195  0.28354318
   0.58140074  0.83285927  0.04317176
   0.84119752  0.97520519  0.34694824
   0.95290486  0.94555911  0.16692288
   0.71163338  0.83826373  0.20618514
   0.82723581  0.60225570  0.43488511
   0.56949878  0.62547089  0.38813275
   0.62998648  0.60945892  0.56287310
   0.85638918  0.76471375  0.81110172
   0.70648378  0.84827415  0.47642226
   0.97301327  1.00101833  0.80823790
   1.01454123  0.82188848  0.66790586
   0.77023675  0.97269051  0.69500089
   0.74859252  0.66660747  0.97109574
   0.51976967  0.71788802  0.87646756
   0.73025560  0.78021683  0.61815790
   0.96737109  0.70843533  0.51029654
   0.93416996  0.25720047  0.11108403
   0.75830521  1.16947912  0.18295988
   0.33231741  0.07017822  0.66559630
   0.30415379  0.33805258  0.48138191
   0.57859949  1.32638661 -0.05451688
  -0.20273413  1.46349363  0.07488933
   0.69059752  0.36353569  0.83915196
   0.65238658  0.59518239  0.71827173
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912110    0.078880   -0.197478
    -0.000000    9.599432    0.056323
    -0.000000    0.000000   14.083465
   Si   O    H 
    32    64    10
Direct configuration=  3456
   0.16343990  0.18380609  0.01157672
   0.37010072  0.11421251  0.38887976
   0.15564761  0.45457488  0.09421291
   0.37091850  0.35585981  0.24689353
   0.07948004  0.15177143  0.48630218
   0.40291558  0.10018528  0.87513322
   0.16344582  0.38043286  0.61320578
   0.38046553  0.38865177  0.76773244
   0.15466434  0.73015295 -0.00099499
   0.40378154  0.60671265  0.37853993
   0.11445141  0.96985665  0.14730413
   0.35000317  0.86575349  0.26668688
   0.15490550  0.58831271  0.49390850
   0.36421668  0.68899273  0.83033756
   0.10829108  0.87487897  0.58176137
   0.37898189  0.91744543  0.68861835
   0.66119319  0.11336893  0.99507695
   0.84754795  0.14366099  0.34510098
   0.58782101  0.43349627  0.09320331
   0.90163560  0.36210921  0.18391139
   0.63272553  0.20158980  0.49550026
   0.93398565  0.12731817  0.87608877
   0.64063605  0.47663594  0.63809764
   0.82232205  0.38735104  0.78886468
   0.59354344  0.70468765 -0.01953475
   0.92636548  0.58256844  0.34612843
   0.59561246  0.91331144  0.14530929
   0.85776154  0.87278864  0.25106662
   0.68959509  0.68116742  0.46445566
   0.86536847  0.65939236  0.89735397
   0.67431588  0.92126042  0.59451182
   0.89319576  0.88664805  0.74117264
   0.18213522  0.12097433  0.12223975
   0.38466457  0.19587414  0.28462743
   0.14193268  0.35377264  0.00194640
   0.36277189  0.44863901  0.34072305
   0.50517529  0.37781474  0.18056039
   0.23353706  0.38196092  0.18254319
   0.23151797  0.14509581  0.44373817
  -0.02892979  0.21092805  0.40245301
   0.04410595  0.00303006  0.52529983
   0.42688531  0.27437447  0.85217647
   0.06285938  0.26743624  0.57700383
   0.35701993  0.51448400  0.83422149
   0.49800911  0.39876231  0.68476967
   0.23239447  0.34714849  0.71847369
   0.27006315  0.11609374 -0.05982342
   0.02307739  0.13927735  0.97271322
   0.21078195  0.61020557  0.07278808
   0.35685004  0.69737297  0.27974438
   0.15071100  0.86767344  0.06705864
   0.40611368  0.95219591  0.36637946
   0.44577165  0.94013214  0.18807784
   0.18728406  0.90769494  0.24830984
   0.30592094  0.65038254  0.46817897
   0.07939972  0.53147425  0.39086783
   0.26382132  0.41723683  0.51832718
   0.33881638  0.75622525  0.73349881
   0.05416936  0.74855997  0.49560698
   0.40923453  0.98122251  0.79587595
   0.52463480  0.87479707  0.62611514
   0.27011109  0.86212815  0.58288372
   0.26085680  0.75283213 -0.08915261
  -0.00695167  0.70604627  0.96820853
   0.66857751  0.07460905  0.10621651
   0.81420570  0.21367836  0.23040959
   0.61256700  0.30120093  0.00768064
   0.87030963  0.45162224  0.28377701
   0.00464910  0.48578354  0.13538028
   0.74040040  0.45070224  0.12686402
   0.70822593  0.20098431  0.39548833
   0.47402785  0.17888891  0.46433339
   0.66842194  0.08282020  0.56519975
   0.92667150  0.25882860  0.80208100
   0.63518857  0.34465145  0.55104036
   0.88549828  0.51350047  0.84999205
   1.11309254  0.54079351  0.59896136
   0.80061894  0.41987356  0.67174682
   0.79837776  0.10887832  0.93811132
   0.52437669  0.05884828  0.95376283
   0.52640550  0.56580717  0.03895713
   0.92425262  0.72152735  0.28404029
   0.57993780  0.83242904  0.04381137
   0.84299216  0.97439997  0.34704981
   0.95304505  0.94647582  0.16762426
   0.71068824  0.83881018  0.20672944
   0.82891288  0.60229499  0.43363847
   0.56807157  0.62626076  0.38838385
   0.62943924  0.60835994  0.56170143
   0.85717972  0.76465242  0.81246268
   0.70564424  0.84889889  0.47762380
   0.97340374  1.00073505  0.80808457
   1.01520912  0.82189118  0.66692483
   0.76922111  0.97223178  0.69396123
   0.74876383  0.66667258  0.97154836
   0.52005371  0.71915049  0.87673392
   0.72842317  0.77788534  0.62007190
   0.97621806  0.72229941  0.51166340
   0.93161020  0.25754800  0.11278153
   0.76187251  1.16451830  0.17673255
   0.33126584  0.07576114  0.66978528
   0.29371239  0.33471743  0.48445307
   0.57605101  1.31945945 -0.05180492
  -0.20076401  1.46221521  0.06877589
   0.69535027  0.36732493  0.83864872
   0.64949456  0.59490407  0.71524594
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912244    0.079609   -0.196237
    -0.000000    9.598876    0.052800
    -0.000000    0.000000   14.083076
   Si   O    H 
    32    64    10
Direct configuration=  3457
   0.16126300  0.18571357  0.01191969
   0.37036295  0.11444223  0.38918622
   0.15492155  0.45470821  0.09503960
   0.37125217  0.35588146  0.24640814
   0.07913856  0.15020743  0.48571150
   0.40404390  0.09985737  0.87488708
   0.16502879  0.38083620  0.61274708
   0.38084446  0.38884877  0.76763919
   0.15402276  0.72981842 -0.00112449
   0.40438605  0.60832871  0.37866246
   0.11501620  0.96977825  0.14832211
   0.35003463  0.86514986  0.26716459
   0.15586744  0.58856926  0.49328610
   0.36508063  0.68948195  0.83089439
   0.10863754  0.87611494  0.58114487
   0.37794411  0.91737268  0.68792685
   0.66005955  0.11344326  0.99460790
   0.84767008  0.14394620  0.34606475
   0.58799665  0.43348370  0.09380332
   0.90355428  0.36270311  0.18398329
   0.63400722  0.20283702  0.49557068
   0.93283270  0.12788324  0.87671941
   0.64174091  0.47590407  0.63806902
   0.82214828  0.38750920  0.78813002
   0.59485814  0.70342457 -0.02018276
   0.92747226  0.58181365  0.34608074
   0.59661893  0.91414501  0.14496911
   0.85893224  0.87404992  0.25094152
   0.68996359  0.68036935  0.46483920
   0.86481732  0.66040011  0.89745625
   0.67461502  0.92025565  0.59470311
   0.89365270  0.88571970  0.74014695
   0.18234671  0.12064427  0.12138927
   0.38713986  0.19587285  0.28457183
   0.14314824  0.35236136  0.00196299
   0.36446535  0.44840120  0.34021499
   0.50338129  0.37680366  0.18034649
   0.23364680  0.38286199  0.18305425
   0.23101906  0.14769810  0.44485586
  -0.02961495  0.20948189  0.40276397
   0.04409563  0.00484576  0.52521628
   0.42792242  0.27389235  0.85210988
   0.06159115  0.26519899  0.57743830
   0.35728266  0.51468026  0.83227905
   0.49823079  0.40070055  0.68476098
   0.23268377  0.34663786  0.71825525
   0.26939223  0.11542812 -0.05952123
   0.02169411  0.14097897  0.97095451
   0.21013724  0.60960596  0.07278130
   0.35602453  0.69731170  0.28013402
   0.15081382  0.86713147  0.06761082
   0.40527750  0.95095253  0.36669450
   0.44443238  0.93995227  0.18848828
   0.18677484  0.90918920  0.24817650
   0.30397286  0.64832010  0.46900818
   0.08008643  0.53029377  0.39216894
   0.26513763  0.41653938  0.51819440
   0.33864481  0.75679585  0.73419959
   0.05501487  0.74873873  0.49503413
   0.41097803  0.98048170  0.79636359
   0.52453868  0.87519175  0.62525052
   0.26945764  0.86303640  0.58263577
   0.26258662  0.75281727 -0.08915828
  -0.00412455  0.70502160  0.96876016
   0.66865102  0.07582777  0.10596486
   0.81287448  0.21367663  0.23017211
   0.61275507  0.30015955  0.00818058
   0.86962053  0.45253928  0.28461879
   0.00344891  0.48714949  0.13603001
   0.74218419  0.45000798  0.12660598
   0.70716534  0.20264162  0.39613055
   0.47112045  0.18015885  0.46483607
   0.66658727  0.08229024  0.56528853
   0.92588924  0.25980585  0.80185075
   0.63642892  0.34459421  0.55149395
   0.88555995  0.51291143  0.85033378
   1.11215652  0.54210693  0.60020782
   0.80087304  0.41983351  0.67044926
   0.79908450  0.10961568  0.93987196
   0.52392531  0.05637650  0.95399340
   0.52392790  0.56302289  0.03960549
   0.92560762  0.72448325  0.28478611
   0.57853216  0.83208504  0.04554809
   0.84439212  0.97405893  0.34668994
   0.95258055  0.94685848  0.16860751
   0.70956569  0.83963769  0.20698191
   0.82970380  0.60223486  0.43335649
   0.56763411  0.62714123  0.38913475
   0.62896987  0.60648518  0.56029933
   0.85720068  0.76503437  0.81316418
   0.70366301  0.84904844  0.47855092
   0.97433886  0.99996185  0.80773529
   1.01510319  0.82257659  0.66645845
   0.76839441  0.97097541  0.69319064
   0.74819906  0.66709957  0.97234614
   0.52020382  0.71989317  0.87705749
   0.73009194  0.77510097  0.62167591
   0.94415905  0.72481652  0.51918890
   0.92966118  0.25932538  0.11189750
   0.76773799  1.15526279  0.16966243
   0.33074920  0.07618574  0.67186271
   0.28755734  0.33057212  0.48575013
   0.56577429  1.31513715 -0.05815214
  -0.20338544  1.46260594  0.06637967
   0.70046641  0.37025803  0.83572320
   0.64517379  0.59610781  0.71400500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912218    0.080225   -0.194671
    -0.000000    9.598356    0.048871
    -0.000000    0.000000   14.082716
   Si   O    H 
    32    64    10
Direct configuration=  3458
   0.15974713  0.18737424  0.01221968
   0.37028049  0.11421599  0.38935269
   0.15393740  0.45495173  0.09590671
   0.37169927  0.35532274  0.24605190
   0.07942436  0.14965071  0.48533596
   0.40484398  0.09967034  0.87530803
   0.16703480  0.38155384  0.61203923
   0.38169414  0.38938461  0.76740338
   0.15328302  0.72993278 -0.00131462
   0.40465655  0.60990277  0.37889011
   0.11559309  0.97007138  0.14915975
   0.35048011  0.86441457  0.26771604
   0.15703113  0.58903691  0.49273872
   0.36610070  0.68980465  0.83155268
   0.10929749  0.87727956  0.58070199
   0.37737630  0.91701440  0.68668620
   0.65970920  0.11386240  0.99453498
   0.84750287  0.14410254  0.34660182
   0.58780383  0.43404046  0.09381468
   0.90493975  0.36329534  0.18429351
   0.63482093  0.20379803  0.49553235
   0.93134654  0.12826036  0.87740105
   0.64233967  0.47491995  0.63794132
   0.82261947  0.38709704  0.78707110
   0.59598271  0.70218870 -0.02075569
   0.92917348  0.58057623  0.34609969
   0.59739232  0.91556029  0.14448007
   0.86035496  0.87582430  0.25070759
   0.69077051  0.67973664  0.46531075
   0.86463452  0.66117168  0.89777083
   0.67448588  0.91896432  0.59458426
   0.89400518  0.88472246  0.73892846
   0.18277301  0.11978147  0.12024716
   0.38956145  0.19564556  0.28453365
   0.14428932  0.35128020  0.00233965
   0.36592764  0.44897952  0.33915010
   0.50168136  0.37565227  0.18051227
   0.23365375  0.38375252  0.18383189
   0.23063878  0.15018874  0.44622415
  -0.02991950  0.20805274  0.40276783
   0.04401443  0.00633442  0.52585987
   0.42922111  0.27387719  0.85191976
   0.06075709  0.26280215  0.57736304
   0.35764477  0.51571144  0.83058940
   0.49832244  0.40254396  0.68521743
   0.23294654  0.34632668  0.71875917
   0.26841819  0.11399103 -0.05935796
   0.01911429  0.14188314  0.96917766
   0.20967980  0.60911476  0.07284860
   0.35522779  0.69673970  0.28089758
   0.15025731  0.86626862  0.06786953
   0.40426598  0.94920348  0.36661127
   0.44337082  0.93884412  0.18900339
   0.18626943  0.91079556  0.24859780
   0.30200868  0.64606721  0.47012153
   0.08077726  0.52909208  0.39331225
   0.26583360  0.41532954  0.51810821
   0.33807817  0.75804791  0.73458675
   0.05530768  0.74829486  0.49522166
   0.41244813  0.97927876  0.79748791
   0.52437435  0.87588584  0.62459182
   0.26853040  0.86385401  0.58212364
   0.26321754  0.75321622 -0.08899857
  -0.00139306  0.70424499  0.96870604
   0.66910215  0.07634729  0.10566440
   0.81190070  0.21407884  0.23038825
   0.61340076  0.29876779  0.00868746
   0.86815979  0.45242897  0.28483226
   0.00143683  0.48864699  0.13645489
   0.74495288  0.44858096  0.12613936
   0.70672416  0.20478116  0.39632358
   0.46918391  0.18160742  0.46592955
   0.66561612  0.08203267  0.56590546
   0.92515917  0.26036400  0.80158701
   0.63732276  0.34599304  0.55164677
   0.88636797  0.51128396  0.85089015
   1.11102102  0.54249254  0.60184474
   0.80216993  0.42030774  0.66986487
   0.79893273  0.11024900  0.94124076
   0.52341983  0.05458187  0.95421815
   0.52224944  0.56060692  0.03968668
   0.92669126  0.72729627  0.28489252
   0.57660643  0.83250885  0.04776459
   0.84609897  0.97422850  0.34640300
   0.95243983  0.94712717  0.16944257
   0.70893977  0.83957951  0.20694333
   0.83017025  0.60275832  0.43297999
   0.56677252  0.62838471  0.39035729
   0.62822249  0.60457217  0.55781769
   0.85727064  0.76611196  0.81348103
   0.70121694  0.84921301  0.47968635
   0.97504363  0.99985752  0.80794981
   1.01470865  0.82381251  0.66617094
   0.76808216  0.96995203  0.69254361
   0.74864967  0.66693168  0.97337141
   0.52029902  0.72018051  0.87765573
   0.73511671  0.77065555  0.62251844
   0.92973919  0.73013517  0.52082166
   0.93005073  0.26115568  0.11147612
   0.77704459  1.14949837  0.16511648
   0.33189321  0.07168943  0.67314910
   0.28592352  0.32653111  0.48462173
   0.55491202  1.31258195 -0.05889465
  -0.21066506  1.46535103  0.06863896
   0.69547174  0.36983967  0.83220865
   0.64103938  0.59238759  0.71283275
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911978    0.081295   -0.192951
    -0.000000    9.597209    0.044555
    -0.000000    0.000000   14.082398
   Si   O    H 
    32    64    10
Direct configuration=  3459
   0.15859251  0.18876184  0.01205361
   0.37013445  0.11442964  0.38956670
   0.15318844  0.45567876  0.09668261
   0.37179232  0.35425841  0.24591452
   0.08031207  0.14957008  0.48521739
   0.40506685  0.09960594  0.87538500
   0.16924742  0.38217069  0.61116089
   0.38273033  0.38959031  0.76683746
   0.15273345  0.72981576 -0.00148935
   0.40436130  0.61080711  0.37961434
   0.11621102  0.96971381  0.14999614
   0.35044601  0.86414640  0.26823301
   0.15766602  0.58907375  0.49237813
   0.36701716  0.68949996  0.83273909
   0.10994054  0.87816072  0.58009525
   0.37647818  0.91655179  0.68534742
   0.65879442  0.11482159  0.99435124
   0.84708513  0.14477274  0.34734748
   0.58725362  0.43433830  0.09420006
   0.90599340  0.36405128  0.18455298
   0.63540832  0.20539159  0.49573893
   0.92969581  0.12813047  0.87811650
   0.64324209  0.47407404  0.63780154
   0.82378031  0.38681053  0.78627534
   0.59708148  0.70117679 -0.02109772
   0.93083274  0.57929259  0.34610897
   0.59790499  0.91667404  0.14401111
   0.86156034  0.87722700  0.25061093
   0.69119287  0.67900458  0.46601241
   0.86505078  0.66179673  0.89781342
   0.67515045  0.91750210  0.59440944
   0.89439957  0.88402797  0.73770704
   0.18333631  0.11853799  0.11923062
   0.39090168  0.19527260  0.28471580
   0.14551838  0.35135804  0.00253462
   0.36744944  0.44985064  0.33838784
   0.50093483  0.37456854  0.18064854
   0.23368338  0.38409937  0.18441647
   0.23060943  0.15209074  0.44735007
  -0.02904449  0.20668247  0.40272378
   0.04313327  0.00666675  0.52621562
   0.43079621  0.27470106  0.85158699
   0.05998472  0.26083422  0.57665952
   0.35786730  0.51700638  0.82933128
   0.49790986  0.40434060  0.68536288
   0.23401300  0.34548439  0.71870544
   0.26793326  0.11273687 -0.05917873
   0.01774103  0.14239657  0.96765072
   0.20838483  0.60745288  0.07270907
   0.35429660  0.69612303  0.28079948
   0.14988815  0.86560274  0.06749219
   0.40237019  0.94833350  0.36661607
   0.44288092  0.93762449  0.18951892
   0.18512789  0.91177818  0.24941626
   0.30050480  0.64443581  0.47040321
   0.08072655  0.52793518  0.39357581
   0.26649827  0.41412031  0.51836375
   0.33745246  0.75959015  0.73530902
   0.05520338  0.74832541  0.49659253
   0.41396406  0.97873816  0.79881328
   0.52405065  0.87661326  0.62395235
   0.26759495  0.86532874  0.58176468
   0.26318237  0.75346376 -0.08879541
   0.00055842  0.70308072  0.96857469
   0.66866992  0.07675346  0.10577921
   0.81122121  0.21403086  0.23006872
   0.61356014  0.29740630  0.00885354
   0.86740112  0.45153557  0.28478420
  -0.00006907  0.48990894  0.13690031
   0.74653614  0.44715695  0.12674035
   0.70697042  0.20669612  0.39592136
   0.46804015  0.18252552  0.46755772
   0.66485171  0.08147216  0.56645458
   0.92419280  0.25894702  0.80096507
   0.63822061  0.34667734  0.55199507
   0.88720749  0.51040513  0.85189939
   1.10999623  0.54306309  0.60397397
   0.80315565  0.42063273  0.66991098
   0.79853640  0.11120167  0.94218505
   0.52324906  0.05313100  0.95418864
   0.52086414  0.55823044  0.03818189
   0.92802585  0.73034416  0.28475320
   0.57536674  0.83378172  0.04906563
   0.84721725  0.97427919  0.34573426
   0.95250116  0.94756790  0.16964163
   0.70922581  0.83945024  0.20692369
   0.83023520  0.60378515  0.43282475
   0.56609665  0.62973594  0.39193540
   0.62843136  0.60372997  0.55515400
   0.85734148  0.76770895  0.81329972
   0.69815440  0.85030164  0.48083946
   0.97505367  1.00012194  0.80808781
   1.01373688  0.82491341  0.66610114
   0.76766411  0.96828749  0.69211594
   0.74929503  0.66611420  0.97435656
   0.52057661  0.72092991  0.87783789
   0.73901735  0.76819779  0.62278966
   0.93514947  0.73442391  0.51783701
   0.93565920  0.26277823  0.11092847
   0.78489279  1.15006664  0.16601034
   0.33261756  0.06497777  0.67151135
   0.28957810  0.32527460  0.48079014
   0.55086108  1.31225046 -0.05467629
  -0.21394640  1.47034488  0.06499558
   0.68955107  0.36911016  0.83072354
   0.63944257  0.58609657  0.71339622
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911978    0.081781   -0.191438
    -0.000000    9.596405    0.039669
    -0.000000    0.000000   14.081976
   Si   O    H 
    32    64    10
Direct configuration=  3460
   0.15777077  0.19011242  0.01173506
   0.37003069  0.11469424  0.38995867
   0.15244402  0.45622042  0.09696258
   0.37139808  0.35388862  0.24606517
   0.08120086  0.15039477  0.48473118
   0.40501096  0.09919022  0.87518761
   0.17106214  0.38267229  0.61026844
   0.38438814  0.38943432  0.76622221
   0.15221116  0.73000031 -0.00232063
   0.40417969  0.61142010  0.38006750
   0.11760607  0.96927132  0.15102089
   0.34959421  0.86389590  0.26888817
   0.15803278  0.58963504  0.49199518
   0.36783184  0.68907483  0.83419532
   0.11025456  0.87891963  0.57946740
   0.37545985  0.91579951  0.68390759
   0.65760194  0.11585178  0.99455122
   0.84704813  0.14508298  0.34749281
   0.58663267  0.43426651  0.09465149
   0.90645274  0.36544702  0.18512534
   0.63610616  0.20656208  0.49652194
   0.92830311  0.12853690  0.87835766
   0.64384803  0.47318627  0.63785271
   0.82401877  0.38682773  0.78541936
   0.59737646  0.70006222 -0.02108190
   0.93221059  0.57767228  0.34593858
   0.59794081  0.91782019  0.14361974
   0.86304699  0.87875515  0.25037893
   0.69180349  0.67814703  0.46677674
   0.86587809  0.66182045  0.89787222
   0.67640343  0.91647698  0.59411717
   0.89508963  0.88344239  0.73653769
   0.18345540  0.11796015  0.11805083
   0.39180631  0.19511456  0.28500944
   0.14683035  0.35159651  0.00254392
   0.36860276  0.45046876  0.33824084
   0.50077443  0.37366222  0.18033480
   0.23431824  0.38392998  0.18471332
   0.23120319  0.15412381  0.44798480
  -0.02728174  0.20566258  0.40288652
   0.04249052  0.00694907  0.52642436
   0.43240997  0.27564555  0.85112746
   0.05998357  0.25909487  0.57560321
   0.35817413  0.51900717  0.82866974
   0.49728778  0.40595995  0.68570927
   0.23535158  0.34539982  0.71887675
   0.26769361  0.11192642 -0.05901249
   0.01724797  0.14233724  0.96646513
   0.20761355  0.60684935  0.07203355
   0.35383402  0.69598909  0.28086953
   0.14933071  0.86489536  0.06675206
   0.40131731  0.94721409  0.36670628
   0.44291137  0.93601625  0.19046290
   0.18390191  0.91244018  0.25060875
   0.29968979  0.64298837  0.47042670
   0.08009306  0.52678429  0.39466238
   0.26653028  0.41264237  0.51860336
   0.33691816  0.76180666  0.73532404
   0.05467939  0.74725473  0.49766272
   0.41488103  0.97872465  0.79979290
   0.52319748  0.87698839  0.62343666
   0.26680867  0.86715186  0.58189342
   0.26230351  0.75503357 -0.08837867
   0.00177483  0.70137659  0.96753907
   0.66825876  0.07614875  0.10579683
   0.81033684  0.21351787  0.23006988
   0.61310215  0.29689328  0.00896034
   0.86624527  0.45063079  0.28422212
  -0.00049240  0.49095675  0.13712091
   0.74805569  0.44640882  0.12705718
   0.70768064  0.20776521  0.39543292
   0.46695377  0.18332169  0.46879636
   0.66409261  0.08038344  0.56720472
   0.92379801  0.25768639  0.80056807
   0.63896081  0.34809835  0.55256819
   0.88699002  0.51034131  0.85273572
   1.10949458  0.54320764  0.60615801
   0.80388273  0.42090685  0.66952786
   0.79748960  0.11133401  0.94244887
   0.52304176  0.05294703  0.95334232
   0.51963465  0.55691151  0.03640159
   0.92947807  0.73241959  0.28467929
   0.57401416  0.83469687  0.05011474
   0.84820724  0.97387554  0.34511608
   0.95303131  0.94848015  0.16965092
   0.71014287  0.83873231  0.20679122
   0.83014688  0.60494634  0.43257763
   0.56512430  0.63116006  0.39291343
   0.62887417  0.60332590  0.55298414
   0.85732500  0.76918016  0.81310950
   0.69640761  0.85226552  0.48215947
   0.97515042  1.00043861  0.80837747
   1.01354322  0.82607126  0.66549616
   0.76795371  0.96725676  0.69193173
   0.74979732  0.66520189  0.97485588
   0.52037875  0.72156262  0.87843846
   0.74329139  0.76811263  0.62346870
   0.95780026  0.73701273  0.51075503
   0.94005170  0.26489877  0.10919292
   0.78907725  1.15415188  0.17304301
   0.32930000  0.06584800  0.66819915
   0.29668347  0.33280771  0.48000945
   0.55146921  1.31463391 -0.04669064
  -0.21591455  1.47447978  0.06158525
   0.68338730  0.36715125  0.82609620
   0.64161630  0.58239042  0.71434015
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912417    0.081935   -0.190159
    -0.000000    9.595958    0.035020
    -0.000000    0.000000   14.081247
   Si   O    H 
    32    64    10
Direct configuration=  3461
   0.15688457  0.19050095  0.01171434
   0.37027502  0.11509125  0.38976188
   0.15146170  0.45718453  0.09719045
   0.37076222  0.35356572  0.24623263
   0.08160912  0.15129738  0.48446421
   0.40486352  0.09876334  0.87510796
   0.17176614  0.38235174  0.61000523
   0.38628816  0.38914660  0.76557776
   0.15246021  0.73040756 -0.00250870
   0.40347377  0.61155448  0.38017825
   0.11875013  0.96883560  0.15176871
   0.34884605  0.86362586  0.26947687
   0.15787236  0.58997706  0.49209328
   0.36830827  0.68813265  0.83548495
   0.11045627  0.87838711  0.57832275
   0.37450514  0.91483112  0.68251498
   0.65610548  0.11682066  0.99471199
   0.84664789  0.14611062  0.34761709
   0.58597990  0.43436932  0.09494257
   0.90616084  0.36681957  0.18547879
   0.63638527  0.20843591  0.49687048
   0.92592778  0.12944082  0.87821452
   0.64474791  0.47232340  0.63827121
   0.82431519  0.38730036  0.78413136
   0.59697928  0.69915300 -0.02083329
   0.93327991  0.57629668  0.34599874
   0.59816911  0.91929503  0.14308922
   0.86515345  0.87929220  0.25014041
   0.69212232  0.67761444  0.46727114
   0.86717470  0.66159033  0.89815354
   0.67727110  0.91596483  0.59428612
   0.89659896  0.88306406  0.73528364
   0.18300644  0.11760676  0.11662110
   0.39244957  0.19572529  0.28513809
   0.14729662  0.35248191  0.00227599
   0.36993656  0.45174312  0.33766922
   0.50119224  0.37273401  0.18005233
   0.23453214  0.38340836  0.18520800
   0.23159087  0.15536428  0.44735978
  -0.02606091  0.20396621  0.40301578
   0.04190551  0.00697585  0.52671429
   0.43343866  0.27533965  0.85036981
   0.06137652  0.25743408  0.57398907
   0.35880769  0.52204017  0.82795770
   0.49586036  0.40711436  0.68550983
   0.23695080  0.34530604  0.71968435
   0.26794838  0.11157407 -0.05910280
   0.01763104  0.14209486  0.96555446
   0.20773478  0.60639980  0.07118139
   0.35337020  0.69594306  0.28049807
   0.14900692  0.86363551  0.06565277
   0.40059845  0.94584793  0.36693642
   0.44324598  0.93425933  0.19118011
   0.18259951  0.91261515  0.25217589
   0.29913983  0.64181005  0.47008477
   0.07920632  0.52578349  0.39552376
   0.26677550  0.41176588  0.51887097
   0.33593657  0.76389621  0.73490779
   0.05435676  0.74686992  0.49853002
   0.41542392  0.97871935  0.80036596
   0.52159546  0.87783051  0.62339584
   0.26645029  0.86936959  0.58238015
   0.26149653  0.75490026 -0.08720057
   0.00153928  0.69960302  0.96623941
   0.66796689  0.07509479  0.10598282
   0.80936888  0.21311150  0.23034447
   0.61284795  0.29698062  0.00916648
   0.86598981  0.44963462  0.28316313
  -0.00070642  0.49177268  0.13639769
   0.75060833  0.44602157  0.12708247
   0.70814618  0.20861699  0.39475412
   0.46631034  0.18408464  0.46980000
   0.66332738  0.07922411  0.56758993
   0.92368880  0.25658333  0.80050537
   0.63944141  0.34963277  0.55251829
   0.88657371  0.51101053  0.85312536
   1.10831421  0.54322883  0.60808915
   0.80544789  0.42063094  0.66940142
   0.79581562  0.11074944  0.94285280
   0.52277270  0.05308417  0.95244897
   0.51943468  0.55619983  0.03510404
   0.93066544  0.73368183  0.28489526
   0.57312840  0.83537302  0.05086466
   0.84848641  0.97427355  0.34485732
   0.95350211  0.95020103  0.16887193
   0.71154548  0.83807524  0.20671813
   0.83006093  0.60654799  0.43280146
   0.56455579  0.63301484  0.39367022
   0.62949585  0.60196153  0.55146108
   0.85663118  0.77020187  0.81312798
   0.69537576  0.85312521  0.48325451
   0.97431024  1.00140617  0.80881613
   1.01283016  0.82801356  0.66460352
   0.76789072  0.96618725  0.69175360
   0.75087509  0.66327436  0.97551028
   0.51988454  0.72168525  0.87881471
   0.75043303  0.76589297  0.62488395
   0.98208270  0.74099972  0.50191054
   0.94691695  0.26724789  0.10733337
   0.78638212  1.15730473  0.18021153
   0.32570586  0.06508386  0.66416822
   0.30751221  0.34184924  0.47967499
   0.55546557  1.31890632 -0.03803863
  -0.21914904  1.47785574  0.06603803
   0.68234256  0.36884641  0.82021585
   0.64219717  0.58456399  0.71467695
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912870    0.081555   -0.189118
    -0.000000    9.595471    0.030195
    -0.000000    0.000000   14.080523
   Si   O    H 
    32    64    10
Direct configuration=  3462
   0.15635350  0.18976556  0.01164144
   0.37057728  0.11526681  0.38932469
   0.15059086  0.45830435  0.09735275
   0.36992032  0.35294507  0.24635654
   0.08188836  0.15266366  0.48467197
   0.40480443  0.09838758  0.87498498
   0.17256303  0.38218210  0.61018469
   0.38817714  0.38859404  0.76492953
   0.15319128  0.73085315 -0.00302887
   0.40251582  0.61211807  0.38004147
   0.11949872  0.96854994  0.15197720
   0.34762081  0.86383869  0.27011286
   0.15672925  0.58953169  0.49201086
   0.36856109  0.68738219  0.83670127
   0.11063307  0.87748942  0.57692100
   0.37340005  0.91380937  0.68162138
   0.65487420  0.11739908  0.99459516
   0.84625171  0.14677415  0.34814362
   0.58584334  0.43444132  0.09489799
   0.90533885  0.36833789  0.18521928
   0.63635214  0.20985465  0.49697944
   0.92462802  0.13046040  0.87755637
   0.64495305  0.47209088  0.63868788
   0.82400700  0.38764564  0.78268838
   0.59626314  0.69815009 -0.02058013
   0.93417327  0.57607010  0.34625494
   0.59834231  0.92051553  0.14274561
   0.86737563  0.87950277  0.25010709
   0.69252793  0.67756002  0.46745218
   0.86836416  0.66118550  0.89841368
   0.67788927  0.91512530  0.59507017
   0.89826462  0.88295796  0.73404586
   0.18210187  0.11785010  0.11504392
   0.39282710  0.19526988  0.28534420
   0.14778892  0.35390743  0.00192344
   0.37043265  0.45319242  0.33705148
   0.50163573  0.37247076  0.17964928
   0.23522292  0.38273515  0.18560700
   0.23170254  0.15695785  0.44632993
  -0.02531902  0.20262291  0.40290371
   0.04125719  0.00675936  0.52744769
   0.43424382  0.27446150  0.84968018
   0.06354678  0.25687793  0.57314332
   0.35867368  0.52512268  0.82756838
   0.49408843  0.40784636  0.68522834
   0.23844485  0.34520905  0.71959249
   0.26906609  0.11090074 -0.05927575
   0.01839668  0.14200970  0.96529666
   0.20870903  0.60549704  0.06979891
   0.35299641  0.69603451  0.28035180
   0.14871869  0.86166828  0.06502603
   0.40055093  0.94417395  0.36736579
   0.44325607  0.93262009  0.19182321
   0.18197948  0.91333630  0.25387059
   0.29849503  0.64138435  0.46986532
   0.07862221  0.52481997  0.39636736
   0.26771562  0.41149683  0.51998017
   0.33518318  0.76576679  0.73462736
   0.05943983  0.74743526  0.49919145
   0.41559503  0.97931532  0.80064874
   0.52013798  0.87851780  0.62359153
   0.26586737  0.87131711  0.58292561
   0.26024360  0.75461757 -0.08566455
   0.00102081  0.69711587  0.96506426
   0.66798683  0.07327818  0.10559488
   0.80962371  0.21433991  0.23174978
   0.61359988  0.29695568  0.01079355
   0.86568565  0.44877007  0.28217808
  -0.00060944  0.49229032  0.13598568
   0.75277047  0.44604838  0.12681120
   0.70854320  0.20917218  0.39412504
   0.46544640  0.18480723  0.47070637
   0.66304833  0.07931103  0.56730327
   0.92385392  0.25559945  0.80002917
   0.63979060  0.35124209  0.55231248
   0.88620114  0.51065706  0.85284877
   1.10764577  0.54264468  0.60956483
   0.80676154  0.41968478  0.66950362
   0.79394263  0.11024559  0.94233823
   0.52288398  0.05349985  0.95180977
   0.51975982  0.55571593  0.03339615
   0.93185170  0.73504604  0.28555759
   0.57231666  0.83371157  0.05137776
   0.84830570  0.97482043  0.34461983
   0.95481510  0.95260473  0.16772146
   0.71204559  0.83744869  0.20670904
   0.83132303  0.60838246  0.43276868
   0.56417513  0.63430734  0.39373865
   0.62885018  0.60033664  0.55047620
   0.85558166  0.77059435  0.81315527
   0.69427310  0.85338354  0.48379776
   0.97423339  1.00213132  0.81000745
   1.01202112  0.83013269  0.66342658
   0.76834495  0.96532103  0.69130941
   0.75119405  0.66112628  0.97640252
   0.51891921  0.72190127  0.87918802
   0.75596911  0.76429549  0.62452462
   0.90623565  0.73846977  0.49691476
   0.95584441  0.26976189  0.10917091
   0.77746454  1.14979767  0.17514070
   0.32114948  0.06456459  0.66073533
   0.32230722  0.34293400  0.47604745
   0.54640320  1.33157137 -0.04304990
  -0.21770977  1.48454558  0.06999968
   0.68495420  0.37149428  0.81453994
   0.64128308  0.58453726  0.71622747
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913525    0.081434   -0.188605
    -0.000000    9.594929    0.025190
    -0.000000    0.000000   14.079925
   Si   O    H 
    32    64    10
Direct configuration=  3463
   0.15618746  0.18895988  0.01106151
   0.37034589  0.11501916  0.38919248
   0.14965041  0.45927455  0.09747492
   0.36963549  0.35279683  0.24635923
   0.08219757  0.15368687  0.48496595
   0.40476938  0.09835414  0.87485268
   0.17302793  0.38211842  0.61067770
   0.38973107  0.38773444  0.76466142
   0.15419791  0.73162685 -0.00334535
   0.40239059  0.61240390  0.37976855
   0.11944663  0.96831008  0.15248937
   0.34674392  0.86400806  0.27068192
   0.15475516  0.58894877  0.49202352
   0.36902404  0.68751793  0.83791422
   0.11030963  0.87617788  0.57596622
   0.37265200  0.91337819  0.68086493
   0.65397979  0.11823648  0.99428372
   0.84565585  0.14791801  0.34887687
   0.58564732  0.43446425  0.09528062
   0.90425822  0.36996583  0.18508449
   0.63606091  0.21103151  0.49697622
   0.92296664  0.13176544  0.87669374
   0.64512061  0.47279044  0.63889884
   0.82415304  0.38781267  0.78142346
   0.59516771  0.69732287 -0.02039783
   0.93458571  0.57556873  0.34652944
   0.59851640  0.92207881  0.14277477
   0.86904424  0.87966279  0.25005018
   0.69284642  0.67759183  0.46720762
   0.86977450  0.66091143  0.89861293
   0.67831048  0.91347384  0.59579116
   0.89983290  0.88301942  0.73331424
   0.18152140  0.11724861  0.11358611
   0.39230137  0.19407628  0.28613784
   0.14854779  0.35582174  0.00167815
   0.37113681  0.45434828  0.33686037
   0.50216323  0.37234257  0.17883222
   0.23536911  0.38218142  0.18551934
   0.23236280  0.15747177  0.44540063
  -0.02459492  0.20071111  0.40276268
   0.04116302  0.00703132  0.52813679
   0.43537091  0.27410751  0.84935096
   0.06568167  0.25636258  0.57299183
   0.35872740  0.52814854  0.82718994
   0.49200231  0.40850677  0.68486263
   0.24112423  0.34588811  0.71968849
   0.26991448  0.11153833 -0.05961461
   0.01915221  0.14293275  0.96559082
   0.20958536  0.60439750  0.06812003
   0.35314521  0.69648199  0.28019930
   0.14792004  0.86081983  0.06478835
   0.39995260  0.94278463  0.36794817
   0.44359020  0.93114231  0.19255861
   0.18244116  0.91375181  0.25521102
   0.29846744  0.64213397  0.46961609
   0.07808744  0.52385270  0.39700916
   0.26976924  0.41120187  0.52115449
   0.33383794  0.76641486  0.73424424
   0.06361626  0.74850149  0.49973977
   0.41557278  0.97969624  0.80092645
   0.51922094  0.87892735  0.62408654
   0.26602451  0.87307440  0.58347610
   0.25820138  0.75449868 -0.08431679
   0.00135763  0.69500438  0.96324888
   0.66833123  0.07142505  0.10567153
   0.81011771  0.21576233  0.23266451
   0.61342766  0.29664850  0.01188540
   0.86561973  0.44783230  0.28188206
  -0.00049346  0.49291447  0.13544018
   0.75444059  0.44498134  0.12686221
   0.70898592  0.20919118  0.39317557
   0.46461680  0.18646081  0.47181696
   0.66287068  0.07901462  0.56679564
   0.92481166  0.25465888  0.79925663
   0.64031308  0.35193910  0.55207715
   0.88583014  0.50911991  0.85282281
   1.10665090  0.54170289  0.61031808
   0.80822058  0.41907038  0.66945072
   0.79212480  0.11022729  0.94208251
   0.52280439  0.05392881  0.95120500
   0.51991473  0.55519411  0.03149196
   0.93252799  0.73646758  0.28623492
   0.57023552  0.83120195  0.05162082
   0.84859495  0.97534510  0.34355896
   0.95577482  0.95519381  0.16679978
   0.71263620  0.83684222  0.20708675
   0.83303602  0.61078011  0.43299353
   0.56478286  0.63512902  0.39324131
   0.62927101  0.59894224  0.55053494
   0.85339004  0.77137241  0.81306397
   0.69329966  0.85323281  0.48403531
   0.97343235  1.00299244  0.81113615
   1.01077401  0.83325569  0.66254096
   0.76904591  0.96353827  0.69075845
   0.75216868  0.65915550  0.97734905
   0.51826026  0.72238805  0.87974094
   0.76246896  0.76375358  0.62299866
   0.85226326  0.73399927  0.48891369
   0.96157461  0.27317075  0.11417035
   0.77162350  1.14620455  0.17223873
   0.31691313  0.06724361  0.66046646
   0.33371850  0.34812680  0.47639240
   0.54671794  1.33409820 -0.04209087
  -0.20897982  1.49635271  0.07019934
   0.68812854  0.37181461  0.80961746
   0.64324393  0.58668052  0.71810294
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.913915    0.081565   -0.188434
    -0.000000    9.594239    0.020389
    -0.000000    0.000000   14.078849
   Si   O    H 
    32    64    10
Direct configuration=  3464
   0.15584124  0.18778650  0.01019441
   0.37008425  0.11533799  0.38911265
   0.14846498  0.46012229  0.09726794
   0.36945872  0.35259484  0.24657153
   0.08206641  0.15488784  0.48486360
   0.40421024  0.09915642  0.87457160
   0.17385281  0.38214028  0.61146177
   0.39105792  0.38658166  0.76448510
   0.15470030  0.73145998 -0.00368910
   0.40244732  0.61239749  0.37978730
   0.12016287  0.96757199  0.15276463
   0.34611209  0.86409331  0.27150275
   0.15318929  0.58927854  0.49248335
   0.36896637  0.68879460  0.83845092
   0.11025710  0.87438539  0.57514846
   0.37160606  0.91301508  0.68034443
   0.65347131  0.11962947  0.99376673
   0.84390775  0.14915532  0.34959150
   0.58556377  0.43504114  0.09561822
   0.90318578  0.37236992  0.18486581
   0.63573084  0.21212358  0.49706455
   0.92237451  0.13234643  0.87600598
   0.64451208  0.47345888  0.63865627
   0.82446285  0.38786012  0.78026912
   0.59370757  0.69673402 -0.02051938
   0.93530282  0.57613888  0.34682906
   0.59845889  0.92365082  0.14292222
   0.86998196  0.87999545  0.24994366
   0.69225721  0.67773262  0.46675964
   0.87111668  0.66050738  0.89859823
   0.67848283  0.91185841  0.59712340
   0.90080713  0.88348394  0.73287625
   0.18093148  0.11583406  0.11263989
   0.39127082  0.19234281  0.28741055
   0.14974823  0.35728847  0.00119837
   0.37100719  0.45495297  0.33640997
   0.50233584  0.37273952  0.17796118
   0.23480677  0.38200170  0.18505301
   0.23273934  0.15821181  0.44423718
  -0.02486386  0.19917283  0.40212150
   0.04093934  0.00841997  0.52893192
   0.43663737  0.27350474  0.84910456
   0.06808454  0.25625977  0.57315452
   0.35872073  0.53085952  0.82748280
   0.48984454  0.40893273  0.68437437
   0.24331105  0.34590902  0.71946396
   0.27005411  0.11344991 -0.05970287
   0.01924586  0.14451875  0.96541634
   0.21039447  0.60310585  0.06631083
   0.35315484  0.69650874  0.28019233
   0.14671388  0.86023130  0.06501229
   0.39922128  0.94222874  0.36811323
   0.44439526  0.93015148  0.19261709
   0.18248079  0.91428744  0.25590407
   0.29997566  0.64266506  0.46888886
   0.07781553  0.52302264  0.39700830
   0.27304386  0.40963981  0.52219535
   0.33239839  0.76634724  0.73386140
   0.06702512  0.74955369  0.50053905
   0.41572692  0.97999185  0.80111178
   0.51910430  0.88033092  0.62502097
   0.26677114  0.87507929  0.58409667
   0.25711755  0.75354369 -0.08330411
   0.00182908  0.69279642  0.96170351
   0.66882224  0.06928438  0.10587328
   0.81044290  0.21633371  0.23310989
   0.61336648  0.29686082  0.01207604
   0.86616510  0.44692228  0.28238549
   0.00036384  0.49345954  0.13489102
   0.75552247  0.44346106  0.12596243
   0.70959804  0.20994114  0.39248133
   0.46434249  0.18802313  0.47272924
   0.66289166  0.07933992  0.56591368
   0.92519512  0.25357744  0.79850462
   0.64114078  0.35391567  0.55179784
   0.88501075  0.50760376  0.85267666
   1.10565459  0.54060098  0.61093992
   0.80913166  0.41915824  0.66949414
   0.78936867  0.11039815  0.94168712
   0.52310507  0.05427696  0.95036603
   0.52118211  0.55409660  0.03012525
   0.93328906  0.73666916  0.28645140
   0.56837014  0.82805173  0.05156883
   0.84999642  0.97599932  0.34241460
   0.95666760  0.95844064  0.16613789
   0.71428320  0.83672311  0.20724825
   0.83478408  0.61417969  0.43341784
   0.56535198  0.63550190  0.39188424
   0.62984250  0.59711710  0.55091391
   0.85093162  0.77207071  0.81321205
   0.69326239  0.85303236  0.48416667
   0.97321987  1.00354358  0.81236018
   1.01026920  0.83612185  0.66240475
   0.76981219  0.96225280  0.69010501
   0.75337381  0.65729712  0.97854079
   0.51846866  0.72284819  0.88011833
   0.76953763  0.76489025  0.61989361
   0.81352895  0.73035571  0.48264170
   0.96724610  0.27164138  0.11937977
   0.76999092  1.14745496  0.17415934
   0.31474103  0.07026559  0.66241776
   0.33886783  0.35719515  0.48331251
   0.54765569  1.33333916 -0.04243224
  -0.20097250  1.50741268  0.07121186
   0.68849629  0.37071324  0.80710830
   0.64615270  0.58651719  0.72021971
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914606    0.080420   -0.188143
    -0.000000    9.593629    0.015812
    -0.000000    0.000000   14.077844
   Si   O    H 
    32    64    10
Direct configuration=  3465
   0.15542450  0.18691672  0.00984145
   0.37010240  0.11434842  0.38926688
   0.14762141  0.46019921  0.09714625
   0.37022295  0.35280102  0.24678498
   0.08222510  0.15570267  0.48464906
   0.40415589  0.10050614  0.87466609
   0.17440551  0.38160309  0.61255205
   0.39227632  0.38571456  0.76449383
   0.15471563  0.73079823 -0.00425664
   0.40229283  0.61279350  0.37969083
   0.12082015  0.96646520  0.15318471
   0.34548843  0.86420962  0.27210389
   0.15155757  0.59047854  0.49348738
   0.36887023  0.69089378  0.83899473
   0.10994013  0.87248606  0.57437729
   0.37068674  0.91237307  0.68025789
   0.65299005  0.12127026  0.99344611
   0.84223696  0.15018806  0.35015842
   0.58624724  0.43576484  0.09593774
   0.90222000  0.37416762  0.18440914
   0.63471955  0.21243200  0.49711900
   0.92198158  0.13255555  0.87535478
   0.64439396  0.47398281  0.63846071
   0.82545614  0.38819942  0.77932634
   0.59209216  0.69602158 -0.02041924
   0.93616510  0.57706060  0.34698689
   0.59850095  0.92424410  0.14372037
   0.86998534  0.88069822  0.24960119
   0.69015982  0.67766289  0.46554377
   0.87267050  0.66010308  0.89855311
   0.67839885  0.91056753  0.59838880
   0.90144318  0.88468168  0.73275135
   0.18031687  0.11424086  0.11227806
   0.39041600  0.19064755  0.28822084
   0.15070384  0.35860018  0.00101904
   0.37131239  0.45602441  0.33611987
   0.50228615  0.37316144  0.17788285
   0.23348010  0.38151375  0.18425049
   0.23225379  0.15865057  0.44258004
  -0.02512062  0.19754961  0.40099807
   0.04053036  0.01007824  0.52974949
   0.43807734  0.27239852  0.84899092
   0.07032523  0.25706999  0.57344570
   0.35877541  0.53211033  0.82720695
   0.48841658  0.40935724  0.68374975
   0.24512112  0.34699958  0.71875099
   0.27121088  0.11530319 -0.05954041
   0.01932599  0.14629036  0.96501873
   0.21094341  0.60260671  0.06471950
   0.35297224  0.69652403  0.27985305
   0.14627591  0.85996052  0.06523561
   0.39815152  0.94155618  0.36903051
   0.44604952  0.92899593  0.19247430
   0.18301415  0.91538673  0.25634995
   0.30097787  0.64318050  0.46819200
   0.07613691  0.52244848  0.39693024
   0.27501700  0.40825573  0.52343469
   0.33141413  0.76481714  0.73345221
   0.07054464  0.74960323  0.50104664
   0.41626789  0.98018742  0.80109991
   0.51899691  0.88143709  0.62645590
   0.26785690  0.87672208  0.58507591
   0.25728484  0.75278204 -0.08277715
   0.00234720  0.69052441  0.96041585
   0.66904955  0.06725754  0.10578970
   0.81138154  0.21701084  0.23319056
   0.61348726  0.29734749  0.01220125
   0.86736164  0.44625385  0.28323263
   0.00124450  0.49423088  0.13392004
   0.75612297  0.44260502  0.12422094
   0.71042523  0.21082997  0.39156186
   0.46466258  0.18953279  0.47342742
   0.66373529  0.07970453  0.56571318
   0.92515884  0.25199870  0.79779010
   0.64225196  0.35549998  0.55168302
   0.88383205  0.50601205  0.85271375
   1.10502491  0.53966621  0.61110524
   0.80988051  0.41919235  0.66937038
   0.78706470  0.10980632  0.94086780
   0.52360751  0.05412231  0.94938280
   0.52271774  0.55329057  0.02838355
   0.93468981  0.73678475  0.28684452
   0.56667042  0.82558454  0.05174099
   0.85055103  0.97715131  0.34142307
   0.95747235  0.96176870  0.16596839
   0.71534326  0.83622277  0.20727772
   0.83620126  0.61635634  0.43445272
   0.56576997  0.63615805  0.39090237
   0.62966260  0.59554466  0.55150825
   0.84836484  0.77221313  0.81357862
   0.69301276  0.85263356  0.48437852
   0.97305195  1.00356005  0.81249066
   1.00987193  0.83853525  0.66261101
   0.77011458  0.96204857  0.68992518
   0.75461663  0.65576447  0.97968379
   0.51886916  0.72307239  0.88069470
   0.77489888  0.76499518  0.61712208
   0.80836472  0.73991364  0.47950921
   0.96897789  0.27064137  0.12565256
   0.77099541  1.15336787  0.18092168
   0.31462729  0.07038894  0.66538209
   0.34008055  0.36306611  0.49247842
   0.55369427  1.32639355 -0.04144328
  -0.19724504  1.51476127  0.07689108
   0.68492514  0.36563582  0.80944097
   0.64926236  0.58184322  0.71801252
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915415    0.080333   -0.188685
    -0.000000    9.593215    0.011001
    -0.000000    0.000000   14.076906
   Si   O    H 
    32    64    10
Direct configuration=  3466
   0.15541551  0.18614851  0.00966022
   0.37022823  0.11302646  0.38976496
   0.14762321  0.46051423  0.09717652
   0.37120689  0.35303048  0.24743561
   0.08244365  0.15601120  0.48444309
   0.40384131  0.10217886  0.87508117
   0.17465583  0.38078560  0.61401064
   0.39304288  0.38453614  0.76477950
   0.15421314  0.72949692 -0.00460261
   0.40235904  0.61343245  0.37927450
   0.12099156  0.96550307  0.15340775
   0.34412809  0.86438279  0.27276216
   0.14992552  0.59178928  0.49483418
   0.36805583  0.69345550  0.83967703
   0.10932249  0.87039202  0.57377981
   0.36956484  0.91232722  0.68044823
   0.65230948  0.12325971  0.99340105
   0.84047865  0.15025480  0.35022264
   0.58725476  0.43618162  0.09609766
   0.90164885  0.37579687  0.18415040
   0.63389885  0.21254029  0.49711414
   0.92137564  0.13243897  0.87490235
   0.64446086  0.47460243  0.63815668
   0.82672923  0.38840076  0.77832486
   0.59087193  0.69555914 -0.02015344
   0.93738823  0.57839286  0.34692412
   0.59811556  0.92432751  0.14504631
   0.87015852  0.88129582  0.24875166
   0.68706581  0.67670540  0.46434794
   0.87443567  0.65922715  0.89874247
   0.67850226  0.90884000  0.59959678
   0.90196790  0.88558511  0.73301900
   0.17988641  0.11305523  0.11231811
   0.39000110  0.18929020  0.28936030
   0.15203277  0.36028410  0.00170251
   0.37064049  0.45745642  0.33603157
   0.50175775  0.37324041  0.17861725
   0.23235412  0.38136521  0.18322727
   0.23076726  0.15908182  0.44089425
  -0.02464048  0.19679507  0.39993988
   0.04054545  0.01132939  0.53028396
   0.43890173  0.27113039  0.84786123
   0.07319201  0.25842997  0.57388795
   0.35780878  0.53202703  0.82679255
   0.48719522  0.40951059  0.68278991
   0.24684717  0.34859454  0.71745894
   0.27264902  0.11622141 -0.05959418
   0.01821019  0.14854860  0.96508726
   0.21189786  0.60262273  0.06352903
   0.35256653  0.69697665  0.27989230
   0.14599703  0.85993627  0.06572176
   0.39754865  0.94113605  0.37047603
   0.44849380  0.92702268  0.19245150
   0.18352772  0.91625471  0.25642945
   0.30244243  0.64397480  0.46702053
   0.07432256  0.52207711  0.39627209
   0.27657644  0.40732065  0.52546928
   0.33061803  0.76286356  0.73315315
   0.07378029  0.74901387  0.50141726
   0.41724473  0.98012731  0.80108821
   0.51959828  0.88259149  0.62754930
   0.26865932  0.87833124  0.58584996
   0.25844095  0.75204699 -0.08255632
   0.00375131  0.68756911  0.95950731
   0.67011976  0.06580430  0.10561172
   0.81170170  0.21760969  0.23329081
   0.61357036  0.29741783  0.01227927
   0.86873537  0.44586218  0.28528354
   0.00196682  0.49495554  0.13359466
   0.75592219  0.44200142  0.12258232
   0.71108341  0.21162366  0.39026425
   0.46399035  0.19129932  0.47325184
   0.66513762  0.08055350  0.56533944
   0.92541430  0.25072387  0.79708231
   0.64343166  0.35650126  0.55097823
   0.88286623  0.50510840  0.85243890
   1.10434156  0.53915463  0.61089240
   0.80991723  0.41910852  0.66919213
   0.78465768  0.10951575  0.93968081
   0.52377257  0.05430983  0.94887785
   0.52447171  0.55274735  0.02724432
   0.93612422  0.73580373  0.28719500
   0.56506513  0.82314225  0.05148733
   0.85182629  0.97791833  0.34145833
   0.95772222  0.96524376  0.16588659
   0.71720811  0.83705318  0.20743312
   0.83691564  0.61847215  0.43604209
   0.56675482  0.63710956  0.39042426
   0.62899548  0.59442798  0.55231958
   0.84545749  0.77276615  0.81343126
   0.69249554  0.85223438  0.48436599
   0.97297152  1.00294671  0.81175514
   1.00953889  0.84028041  0.66322487
   0.76993420  0.96257921  0.69032144
   0.75567705  0.65426719  0.98090436
   0.51997069  0.72369101  0.88108518
   0.77998606  0.76846079  0.61445035
   0.83139614  0.76321551  0.47752217
   0.96835738  0.26315740  0.13073561
   0.77496896  1.15815573  0.18570833
   0.31243553  0.06938158  0.66893112
   0.35388538  0.35854095  0.49253932
   0.56005100  1.31957122 -0.04334193
  -0.19888837  1.51853679  0.08664898
   0.68043802  0.36104240  0.81140582
   0.65375236  0.57706624  0.71640098
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.916351    0.081339   -0.188953
    -0.000000    9.592745    0.006345
    -0.000000    0.000000   14.076213
   Si   O    H 
    32    64    10
Direct configuration=  3467
   0.15576353  0.18577631  0.00866116
   0.37068166  0.11185699  0.39049753
   0.14801188  0.46106523  0.09748803
   0.37264907  0.35265750  0.24808025
   0.08249072  0.15645401  0.48419216
   0.40346065  0.10359961  0.87513696
   0.17497339  0.37955704  0.61572816
   0.39284374  0.38313192  0.76525189
   0.15376184  0.72796542 -0.00414872
   0.40215207  0.61425220  0.37864867
   0.12086676  0.96488639  0.15364734
   0.34245497  0.86506675  0.27301817
   0.14889179  0.59294149  0.49618201
   0.36747539  0.69613241  0.84009345
   0.10842343  0.86851522  0.57311521
   0.36911773  0.91301801  0.68082985
   0.65152982  0.12504433  0.99391973
   0.83907910  0.14960086  0.34978240
   0.58840767  0.43612733  0.09637237
   0.90106632  0.37760519  0.18368888
   0.63279885  0.21236395  0.49727908
   0.92080740  0.13179044  0.87452345
   0.64473837  0.47543934  0.63800016
   0.82793631  0.38883860  0.77733010
   0.58971132  0.69536322 -0.01906098
   0.93835401  0.58038298  0.34675645
   0.59733967  0.92412664  0.14625092
   0.87054823  0.88108525  0.24806308
   0.68387206  0.67603889  0.46375979
   0.87590684  0.65848554  0.89859504
   0.67842780  0.90693585  0.60077509
   0.90249456  0.88649452  0.73356881
   0.17922981  0.11179020  0.11266349
   0.38934712  0.18845301  0.28982858
   0.15322556  0.36111464  0.00241670
   0.36952437  0.45896179  0.33529265
   0.50132457  0.37427086  0.17907328
   0.23087943  0.38162649  0.18221632
   0.22896056  0.15916495  0.43917620
  -0.02450212  0.19604731  0.39886432
   0.04069331  0.01181705  0.53079553
   0.43892126  0.26948353  0.84697873
   0.07531490  0.26014531  0.57411043
   0.35732721  0.53120295  0.82625674
   0.48724607  0.40882370  0.68127058
   0.24732428  0.34956830  0.71590124
   0.27361676  0.11782406 -0.05940210
   0.01740388  0.15069002  0.96482968
   0.21286017  0.60284961  0.06267484
   0.35184679  0.69874635  0.27955890
   0.14599095  0.86055459  0.06717312
   0.39710363  0.94174161  0.37156574
   0.45119707  0.92553852  0.19287836
   0.18442768  0.91764044  0.25583018
   0.30420779  0.64588977  0.46607836
   0.07376511  0.52144387  0.39598736
   0.27846938  0.40607662  0.52747863
   0.32959456  0.76123751  0.73362845
   0.07696102  0.74802375  0.50150063
   0.41752173  0.98045148  0.80024548
   0.52038696  0.88300725  0.62885354
   0.26974222  0.87936764  0.58585847
   0.25927238  0.75176020 -0.08277460
   0.00562549  0.68455383  0.95840827
   0.67139401  0.06511053  0.10510553
   0.81150241  0.21880157  0.23396039
   0.61445273  0.29728495  0.01305410
   0.87001697  0.44570562  0.28710752
   0.00159697  0.49504944  0.13333572
   0.75518872  0.44207062  0.12115859
   0.71069853  0.21219333  0.38958109
   0.46345810  0.19242121  0.47273806
   0.66632823  0.08163974  0.56543847
   0.92619258  0.25066875  0.79590781
   0.64406412  0.35685222  0.55026852
   0.88310429  0.50453410  0.85240127
   1.10319964  0.53915106  0.61047768
   0.80995003  0.41932850  0.66876289
   0.78220635  0.10883498  0.93829783
   0.52463523  0.05449869  0.94863883
   0.52702295  0.55171774  0.02663222
   0.93742525  0.73484234  0.28767218
   0.56412337  0.81986359  0.05129653
   0.85299139  0.97869697  0.34106926
   0.95759714  0.96845497  0.16596300
   0.71887336  0.83769130  0.20740318
   0.83802007  0.62015305  0.43768116
   0.56797711  0.63831400  0.38950408
   0.62871913  0.59326968  0.55319106
   0.84249911  0.77276128  0.81285653
   0.69197369  0.85068592  0.48490144
   0.97255586  1.00140210  0.81120540
   1.00946374  0.84256316  0.66344408
   0.76984913  0.96392790  0.69072341
   0.75655893  0.65306738  0.98186747
   0.52104958  0.72444542  0.88143734
   0.78600090  0.77178434  0.61344195
   0.85174424  0.78519203  0.47550711
   0.96790584  0.25550916  0.13700751
   0.77354308  1.15463429  0.18485008
   0.31207116  0.06732044  0.67253845
   0.36245661  0.35469249  0.49643774
   0.56131487  1.31502544 -0.05119272
  -0.20326888  1.51987954  0.09499570
   0.68101382  0.35414582  0.81186688
   0.65569968  0.57517130  0.71745722
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917088    0.082116   -0.189294
    -0.000000    9.592242    0.001290
    -0.000000    0.000000   14.075600
   Si   O    H 
    32    64    10
Direct configuration=  3468
   0.15641704  0.18530607  0.00764755
   0.37108568  0.11089601  0.39120956
   0.14847317  0.46089327  0.09768586
   0.37342567  0.35263595  0.24826498
   0.08272837  0.15725357  0.48413919
   0.40281683  0.10454577  0.87511557
   0.17495703  0.37859403  0.61666285
   0.39214082  0.38155636  0.76564236
   0.15345269  0.72691521 -0.00325697
   0.40213443  0.61478857  0.37781581
   0.12057422  0.96424604  0.15418973
   0.34059552  0.86576762  0.27340145
   0.14845542  0.59432763  0.49724396
   0.36729401  0.69857325  0.84047165
   0.10719517  0.86726035  0.57263449
   0.36929545  0.91415741  0.68122723
   0.65070262  0.12610278  0.99464148
   0.83792205  0.14858991  0.34937776
   0.58982503  0.43552675  0.09653708
   0.90100658  0.37956487  0.18371490
   0.63128430  0.21256077  0.49777597
   0.91940775  0.13039735  0.87375817
   0.64547051  0.47611568  0.63782971
   0.82923987  0.38959868  0.77685660
   0.58845211  0.69556538 -0.01761133
   0.93973258  0.58263475  0.34654547
   0.59714037  0.92331565  0.14742351
   0.87116890  0.88067009  0.24732114
   0.68089019  0.67496376  0.46365431
   0.87760437  0.65739960  0.89816415
   0.67826378  0.90507000  0.60217505
   0.90353387  0.88707743  0.73448696
   0.17877961  0.11045681  0.11247063
   0.38896227  0.18820822  0.29035972
   0.15407213  0.36221898  0.00286477
   0.36941931  0.46004547  0.33480799
   0.50117034  0.37618098  0.17950925
   0.23008089  0.38247577  0.18178846
   0.22721275  0.15873858  0.43737530
  -0.02366264  0.19582142  0.39748403
   0.04079090  0.01197424  0.53134027
   0.43967322  0.26797293  0.84582373
   0.07757427  0.26244504  0.57472911
   0.35752975  0.53004394  0.82562814
   0.48786058  0.40812339  0.67907602
   0.24740692  0.35110697  0.71456876
   0.27468039  0.12016489 -0.05950450
   0.01607594  0.15155696  0.96540387
   0.21367336  0.60280283  0.06225130
   0.35107426  0.70043860  0.27924321
   0.14641658  0.86009059  0.06838293
   0.39639494  0.94375684  0.37270842
   0.45340427  0.92440304  0.19289866
   0.18541226  0.91941328  0.25584360
   0.30597474  0.64826474  0.46564906
   0.07373058  0.52022649  0.39629228
   0.28087899  0.40458806  0.52927724
   0.32872696  0.75908908  0.73411065
   0.07960198  0.74682777  0.50069821
   0.41737291  0.98105402  0.79962511
   0.52126310  0.88382783  0.63020936
   0.27008031  0.88009340  0.58557445
   0.26078972  0.75194834 -0.08273725
   0.00854026  0.68192077  0.95815428
   0.67277121  0.06408670  0.10460898
   0.81160521  0.21891300  0.23464152
   0.61474720  0.29697024  0.01345338
   0.87139124  0.44521982  0.28906924
  -0.00003207  0.49560138  0.13347523
   0.75366242  0.44161479  0.12028107
   0.70981493  0.21239646  0.38977878
   0.46352417  0.19252252  0.47189200
   0.66768129  0.08226914  0.56532933
   0.92613432  0.25122811  0.79502868
   0.64395438  0.35627108  0.55028226
   0.88376237  0.50406476  0.85201598
   1.10212604  0.53884779  0.61034080
   0.81057350  0.42059855  0.66831044
   0.78166152  0.10786688  0.93690575
   0.52581747  0.05519689  0.94892237
   0.52987424  0.55061839  0.02659740
   0.93860792  0.73321763  0.28871292
   0.56372323  0.81750286  0.05123028
   0.85419186  0.97932019  0.34027014
   0.95652018  0.97052527  0.16597245
   0.71987615  0.83866031  0.20764352
   0.83956431  0.62206842  0.43920309
   0.56835218  0.63973653  0.38894790
   0.62824257  0.59157889  0.55410312
   0.83972115  0.77262885  0.81251256
   0.69213706  0.84817438  0.48502204
   0.97154228  0.99925371  0.81126393
   1.00998278  0.84414181  0.66369071
   0.76918000  0.96548074  0.69153131
   0.75717049  0.65101828  0.98193440
   0.52176653  0.72501940  0.88184952
   0.78998664  0.77122340  0.61325665
   0.86922626  0.80478108  0.47215756
   0.96817820  0.25007199  0.14427893
   0.77288755  1.14710840  0.18137771
   0.31005804  0.06598204  0.67467537
   0.36119468  0.35262617  0.50320026
   0.56274939  1.31524868 -0.05607574
  -0.20428150  1.52871685  0.09849087
   0.68723724  0.34667452  0.81299381
   0.65713708  0.57430113  0.72021947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917610    0.083359   -0.189341
    -0.000000    9.591961   -0.003708
    -0.000000    0.000000   14.075086
   Si   O    H 
    32    64    10
Direct configuration=  3469
   0.15747565  0.18488603  0.00651235
   0.37061119  0.11066368  0.39213531
   0.14943672  0.46049611  0.09757892
   0.37352124  0.35264746  0.24794015
   0.08277502  0.15837719  0.48410863
   0.40200993  0.10453658  0.87495433
   0.17525605  0.37755697  0.61753506
   0.39166561  0.38055468  0.76608147
   0.15395509  0.72649924 -0.00227607
   0.40192284  0.61513783  0.37772477
   0.11981194  0.96396246  0.15455681
   0.33931360  0.86662381  0.27382713
   0.14824295  0.59569095  0.49820897
   0.36721839  0.70095150  0.84018192
   0.10601937  0.86637834  0.57266863
   0.36890333  0.91492911  0.68133607
   0.64973080  0.12680658  0.99579427
   0.83762528  0.14734028  0.34864698
   0.59095445  0.43492567  0.09648831
   0.90167466  0.38151289  0.18356759
   0.62943849  0.21231404  0.49753501
   0.91769692  0.12925306  0.87273115
   0.64656092  0.47671587  0.63780546
   0.83000941  0.38977941  0.77663774
   0.58723658  0.69528991 -0.01655818
   0.94040000  0.58413448  0.34675059
   0.59702973  0.92241106  0.14857244
   0.87127492  0.88005930  0.24654123
   0.67844188  0.67395918  0.46377654
   0.87849447  0.65728162  0.89760714
   0.67815822  0.90386732  0.60366296
   0.90374463  0.88740548  0.73559188
   0.17739325  0.10903359  0.11211282
   0.38855859  0.18809180  0.29113500
   0.15461609  0.36285517  0.00303594
   0.36951657  0.46135984  0.33462868
   0.50174229  0.37785598  0.17989432
   0.22921952  0.38294419  0.18142964
   0.22559381  0.15831568  0.43555005
  -0.02304789  0.19625827  0.39676009
   0.04080195  0.01209726  0.53197816
   0.44029192  0.26608476  0.84512186
   0.07823133  0.26439309  0.57572451
   0.35811439  0.52869856  0.82515194
   0.48915115  0.40706971  0.67666047
   0.24741635  0.35217217  0.71352910
   0.27567798  0.12222032 -0.05980496
   0.01467145  0.15179307  0.96572232
   0.21482486  0.60219000  0.06169582
   0.35022814  0.70200952  0.27895583
   0.14757225  0.86005918  0.06879260
   0.39580629  0.94513406  0.37325258
   0.45486209  0.92344943  0.19278764
   0.18620372  0.92070829  0.25574066
   0.30729384  0.64999180  0.46474495
   0.07467996  0.51961711  0.39643440
   0.28396391  0.40333892  0.53098587
   0.32854969  0.75777142  0.73460450
   0.08168147  0.74608319  0.50015692
   0.41630542  0.98080199  0.79855835
   0.52185832  0.88465522  0.63171601
   0.27011033  0.88141188  0.58541575
   0.26142118  0.75286677 -0.08313190
   0.01107325  0.67915762  0.95769321
   0.67374295  0.06370797  0.10401249
   0.81172005  0.21904780  0.23494149
   0.61510857  0.29740850  0.01397956
   0.87367079  0.44488406  0.29085293
  -0.00122005  0.49574900  0.13361311
   0.75259510  0.44211483  0.11914830
   0.70820635  0.21267510  0.38980769
   0.46451077  0.19290825  0.47125031
   0.66876850  0.08316927  0.56521259
   0.92648675  0.25195326  0.79454204
   0.64386581  0.35542135  0.54994486
   0.88468282  0.50363976  0.85209139
   1.10159613  0.53789315  0.60975936
   0.81073814  0.42288234  0.66693848
   0.78153320  0.10765063  0.93532919
   0.52690795  0.05609526  0.94933455
   0.53232970  0.55046311  0.02669598
   0.93957927  0.73135934  0.28972877
   0.56359950  0.81609244  0.05162187
   0.85549161  0.98067381  0.33919519
   0.95576552  0.97273593  0.16599803
   0.72086340  0.83926405  0.20714857
   0.84021030  0.62431869  0.44073713
   0.56848728  0.64107368  0.38808993
   0.62825501  0.59065929  0.55515279
   0.83669234  0.77213251  0.81212411
   0.69243770  0.84590065  0.48440026
   0.97100460  0.99754889  0.81103112
   1.01193202  0.84487231  0.66351800
   0.76896125  0.96661426  0.69243360
   0.75780470  0.64914763  0.98210559
   0.52215705  0.72521840  0.88230636
   0.78971149  0.77154235  0.61351321
   0.88008394  0.82206050  0.46736298
   0.96573511  0.24922814  0.14901552
   0.77313950  1.14627940  0.18126386
   0.30883263  0.06448098  0.67759762
   0.35427547  0.35187487  0.50970691
   0.56829848  1.31910862 -0.05729040
  -0.20503426  1.53823126  0.10141734
   0.69484106  0.34344166  0.81240731
   0.65711069  0.57560777  0.72161690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918141    0.085287   -0.188862
    -0.000000    9.591789   -0.007855
    -0.000000    0.000000   14.074384
   Si   O    H 
    32    64    10
Direct configuration=  3470
   0.15854538  0.18497181  0.00566851
   0.37002589  0.11061905  0.39317272
   0.15031800  0.45948904  0.09689642
   0.37409899  0.35200032  0.24756117
   0.08284633  0.15960824  0.48395520
   0.40154244  0.10498566  0.87485289
   0.17520146  0.37638023  0.61808715
   0.39093773  0.38047741  0.76635838
   0.15402217  0.72612602 -0.00163082
   0.40163097  0.61530313  0.37768133
   0.11928178  0.96368514  0.15474444
   0.33835779  0.86737383  0.27449264
   0.14883581  0.59672240  0.49922408
   0.36748898  0.70300045  0.83985119
   0.10528996  0.86630958  0.57252356
   0.36833697  0.91585855  0.68122256
   0.64930280  0.12739470  0.99676532
   0.83805817  0.14632161  0.34785752
   0.59162337  0.43370240  0.09620595
   0.90229690  0.38258388  0.18361179
   0.62740715  0.21204265  0.49737539
   0.91647342  0.12884499  0.87174101
   0.64749428  0.47684658  0.63799746
   0.83085098  0.38921903  0.77693849
   0.58600956  0.69495198 -0.01534971
   0.94086421  0.58571894  0.34699831
   0.59844531  0.92167391  0.14975180
   0.87129994  0.87966648  0.24569814
   0.67706165  0.67340465  0.46432500
   0.87880060  0.65755708  0.89682706
   0.67823294  0.90244878  0.60495910
   0.90353164  0.88734647  0.73693432
   0.17626764  0.10787472  0.11205533
   0.38742460  0.18898453  0.29124706
   0.15560826  0.36344160  0.00299878
   0.36983837  0.46203646  0.33414310
   0.50280602  0.37930607  0.18057690
   0.22940007  0.38348734  0.18135241
   0.22410603  0.15732755  0.43445415
  -0.02242196  0.19653902  0.39652643
   0.04012961  0.01189213  0.53210502
   0.44087312  0.26441828  0.84456765
   0.07811206  0.26661812  0.57622678
   0.35892622  0.52736688  0.82433503
   0.49025430  0.40597110  0.67475185
   0.24722386  0.35376526  0.71314481
   0.27664160  0.12310435 -0.05991646
   0.01331605  0.15247260  0.96640546
   0.21618652  0.60183395  0.06195946
   0.34988942  0.70351503  0.27879160
   0.14906055  0.86009276  0.06932250
   0.39458031  0.94681767  0.37380740
   0.45547244  0.92264999  0.19317190
   0.18715479  0.92132560  0.25586327
   0.30872455  0.65099262  0.46337879
   0.07595354  0.52009399  0.39665337
   0.28581940  0.40321739  0.53273277
   0.32871662  0.75662162  0.73501124
   0.08323538  0.74582256  0.50021031
   0.41445584  0.98049983  0.79743516
   0.52231003  0.88573713  0.63366180
   0.26947411  0.88303734  0.58492181
   0.26132372  0.75403180 -0.08384796
   0.01326416  0.67673211  0.95731748
   0.67453737  0.06380312  0.10380315
   0.81142045  0.21920557  0.23509322
   0.61513404  0.29814750  0.01398970
   0.87576030  0.44551851  0.29236960
  -0.00215678  0.49643670  0.13375532
   0.75154576  0.44290641  0.11820831
   0.70546503  0.21355212  0.39005754
   0.46584831  0.19364440  0.47055285
   0.66957421  0.08258814  0.56492755
   0.92619218  0.25246324  0.79385832
   0.64378825  0.35378641  0.54943016
   0.88631080  0.50374022  0.85200144
   1.10064744  0.53623646  0.60892331
   0.81065955  0.42469855  0.66534767
   0.78170799  0.10760072  0.93382508
   0.52769004  0.05655028  0.94949039
   0.53429939  0.54944384  0.02719869
   0.94022354  0.73012918  0.29087107
   0.56415869  0.81569651  0.05245738
   0.85609066  0.98207289  0.33881546
   0.95466412  0.97492074  0.16622612
   0.72115441  0.84056794  0.20653067
   0.84002365  0.62577616  0.44194527
   0.56809284  0.64159108  0.38706743
   0.62754061  0.58957592  0.55572817
   0.83402566  0.77162814  0.81176120
   0.69278585  0.84373104  0.48382892
   0.97043937  0.99479058  0.81121968
   1.01494887  0.84559413  0.66282860
   0.76866705  0.96688610  0.69311224
   0.75780337  0.64792472  0.98233262
   0.52316963  0.72555289  0.88229240
   0.78622187  0.77055303  0.61466927
   0.88636345  0.83854138  0.46226194
   0.96821805  0.25219439  0.15061538
   0.77725334  1.15254479  0.18459062
   0.30597255  0.06734406  0.68110917
   0.35860399  0.33970763  0.50939167
   0.57231145  1.32342996 -0.05181026
  -0.20849052  1.54326900  0.10508206
   0.70675278  0.34150750  0.81132580
   0.65482834  0.57701232  0.71909854
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918610    0.086736   -0.187986
    -0.000000    9.591251   -0.011752
    -0.000000    0.000000   14.073583
   Si   O    H 
    32    64    10
Direct configuration=  3471
   0.15998547  0.18525331  0.00462660
   0.36939265  0.11092490  0.39390373
   0.15196001  0.45885731  0.09643663
   0.37410116  0.35137504  0.24730766
   0.08245661  0.16042461  0.48360594
   0.40094353  0.10518326  0.87466945
   0.17498953  0.37641796  0.61864845
   0.38972273  0.38088425  0.76641880
   0.15453679  0.72642226 -0.00091681
   0.40081796  0.61484778  0.37736888
   0.11847785  0.96328669  0.15496891
   0.33834646  0.86836852  0.27470813
   0.14978017  0.59740872  0.49986638
   0.36810890  0.70457165  0.83976344
   0.10469711  0.86730542  0.57242515
   0.36710064  0.91653061  0.68126677
   0.64957205  0.12736163  0.99769219
   0.83823565  0.14540278  0.34697636
   0.59187659  0.43228795  0.09552173
   0.90306942  0.38289746  0.18383685
   0.62535067  0.21130059  0.49712331
   0.91533457  0.12830367  0.87107372
   0.64770533  0.47647178  0.63813717
   0.83199336  0.38880279  0.77715429
   0.58553560  0.69404248 -0.01479605
   0.94072747  0.58592222  0.34719072
   0.59933018  0.92095003  0.15023689
   0.87114208  0.87944468  0.24505298
   0.67602493  0.67291174  0.46513765
   0.87918389  0.65774423  0.89626739
   0.67839111  0.90173162  0.60644667
   0.90282822  0.88731710  0.73807625
   0.17608752  0.10765555  0.11204070
   0.38669669  0.19037073  0.29123360
   0.15674192  0.36276473  0.00317619
   0.36988805  0.46231746  0.33353476
   0.50487313  0.38112494  0.18135129
   0.23036871  0.38335136  0.18138527
   0.22316032  0.15674719  0.43333159
  -0.02193824  0.19683815  0.39686855
   0.03958035  0.01206577  0.53163790
   0.44204754  0.26249082  0.84355974
   0.07762575  0.26831385  0.57633771
   0.35996132  0.52602402  0.82412190
   0.49121095  0.40493794  0.67258090
   0.24732985  0.35432680  0.71329516
   0.27702209  0.12408629 -0.06044767
   0.01198908  0.15232035  0.96700170
   0.21786685  0.60263062  0.06263426
   0.34930382  0.70495410  0.27868059
   0.15190173  0.85972188  0.06926624
   0.39292620  0.94819405  0.37432985
   0.45576423  0.92137694  0.19405486
   0.18796143  0.92291132  0.25588239
   0.30912305  0.65211580  0.46238590
   0.07694981  0.52047636  0.39656913
   0.28784585  0.40322254  0.53402521
   0.32891473  0.75508681  0.73551673
   0.08455253  0.74517722  0.49999441
   0.41266186  0.98034235  0.79681579
   0.52261003  0.88648793  0.63548193
   0.26893697  0.88455533  0.58473506
   0.26131100  0.75523889 -0.08476698
   0.01568631  0.67498272  0.95661590
   0.67504132  0.06422847  0.10308761
   0.81132627  0.21882081  0.23534041
   0.61503434  0.29914059  0.01346053
   0.87802776  0.44616914  0.29367877
  -0.00267550  0.49739571  0.13352119
   0.75142682  0.44452516  0.11751036
   0.70226388  0.21390857  0.39115754
   0.46678500  0.19412374  0.46933961
   0.67016163  0.08171263  0.56425081
   0.92606668  0.25274006  0.79358612
   0.64399461  0.35310116  0.54908443
   0.88812367  0.50320235  0.85229565
   1.10098405  0.53437817  0.60788342
   0.80984321  0.42598538  0.66411144
   0.78147406  0.10787334  0.93257246
   0.52856240  0.05692319  0.94915946
   0.53608711  0.54822590  0.02761679
   0.94122236  0.72948868  0.29162408
   0.56545448  0.81604833  0.05337480
   0.85642029  0.98231973  0.33822711
   0.95386540  0.97612856  0.16659571
   0.72142323  0.84206572  0.20599517
   0.83898032  0.62689474  0.44271379
   0.56786275  0.64110470  0.38571066
   0.62675327  0.58926928  0.55629499
   0.83168633  0.77111222  0.81179087
   0.69354245  0.84158165  0.48311532
   0.96977820  0.99271770  0.81126458
   1.01870012  0.84449169  0.66231502
   0.76956489  0.96727492  0.69492175
   0.75783733  0.64725125  0.98284210
   0.52385848  0.72670911  0.88222908
   0.77863044  0.77165286  0.61683576
   0.89130653  0.85640760  0.45683069
   0.97085357  0.25642641  0.15067549
   0.78437015  1.15848350  0.18603404
   0.30151842  0.06979557  0.68123320
   0.35959024  0.33038454  0.50975087
   0.58050015  1.32890505 -0.04336953
  -0.21594398  1.54054192  0.10678517
   0.70715197  0.33774952  0.80999773
   0.64962738  0.58038881  0.71543648
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918967    0.088740   -0.187504
    -0.000000    9.590704   -0.015952
    -0.000000    0.000000   14.072519
   Si   O    H 
    32    64    10
Direct configuration=  3472
   0.16084259  0.18575987  0.00350115
   0.36897447  0.11177482  0.39412746
   0.15349411  0.45819262  0.09575208
   0.37363297  0.35027528  0.24707798
   0.08205583  0.16116552  0.48345903
   0.40084624  0.10483150  0.87430324
   0.17419269  0.37762448  0.61886500
   0.38925492  0.38177208  0.76651047
   0.15540938  0.72651938 -0.00027972
   0.40062342  0.61512424  0.37705239
   0.11803027  0.96304929  0.15498334
   0.33925672  0.86997595  0.27482947
   0.15029648  0.59775130  0.50036118
   0.36889445  0.70579171  0.83957255
   0.10469204  0.86782682  0.57232387
   0.36595915  0.91735949  0.68099310
   0.65072393  0.12723440  0.99883469
   0.83795753  0.14446409  0.34597253
   0.59159352  0.43145441  0.09496225
   0.90320602  0.38308850  0.18421017
   0.62380061  0.21033191  0.49704183
   0.91423797  0.12789748  0.87071129
   0.64889557  0.47587292  0.63877421
   0.83283995  0.38873457  0.77765222
   0.58552372  0.69323032 -0.01413850
   0.94038319  0.58599187  0.34758583
   0.60091603  0.92012673  0.15025801
   0.87123684  0.87936403  0.24473114
   0.67523148  0.67201932  0.46551943
   0.87931317  0.65837355  0.89594276
   0.67903632  0.90152886  0.60779674
   0.90142517  0.88795993  0.73902774
   0.17614598  0.10761922  0.11184616
   0.38448843  0.19149332  0.29093142
   0.15719306  0.36134446  0.00290522
   0.36970091  0.46232798  0.33328564
   0.50606141  0.38342771  0.18195190
   0.23152979  0.38226179  0.18168991
   0.22295574  0.15625460  0.43196975
  -0.02132744  0.19788406  0.39739456
   0.03943966  0.01150704  0.53093488
   0.44301604  0.26091011  0.84267745
   0.07667532  0.26973986  0.57606106
   0.36097963  0.52528701  0.82409952
   0.49137016  0.40356568  0.67100408
   0.24727108  0.35501988  0.71334667
   0.27729522  0.12498425 -0.06113664
   0.00966306  0.15149659  0.96691127
   0.21913563  0.60316639  0.06259813
   0.34890407  0.70668024  0.27900304
   0.15428185  0.85958325  0.06879625
   0.39122422  0.94979434  0.37459868
   0.45586288  0.91933046  0.19576156
   0.18840471  0.92398866  0.25563214
   0.30869470  0.65345409  0.46196617
   0.07797597  0.52058253  0.39642438
   0.29125755  0.40363968  0.53513233
   0.32992330  0.75342788  0.73549825
   0.08473762  0.74476261  0.49958556
   0.41153876  0.98100753  0.79685382
   0.52168654  0.88744313  0.63734355
   0.26753991  0.88484071  0.58456824
   0.26083742  0.75603264 -0.08519212
   0.01729710  0.67328629  0.95580641
   0.67418773  0.06446283  0.10273634
   0.81070993  0.21842831  0.23621274
   0.61563002  0.29905402  0.01353979
   0.87998233  0.44679353  0.29469690
  -0.00297689  0.49868111  0.13334872
   0.75263370  0.44600665  0.11683683
   0.69949600  0.21457641  0.39148767
   0.46761418  0.19553072  0.46811700
   0.67110294  0.08110184  0.56343029
   0.92593038  0.25267318  0.79332350
   0.64423534  0.35381674  0.54789935
   0.88982251  0.50234293  0.85272143
   1.10168141  0.53278076  0.60656172
   0.80943952  0.42662841  0.66304995
   0.78112331  0.10807010  0.93167657
   0.52836431  0.05811943  0.94853865
   0.53695261  0.54707209  0.02797807
   0.94189710  0.72931987  0.29183392
   0.56643967  0.81720955  0.05458044
   0.85686251  0.98224516  0.33823379
   0.95271288  0.97742130  0.16737642
   0.72217813  0.84404730  0.20590177
   0.83829606  0.62735651  0.44287306
   0.56682223  0.64030348  0.38436404
   0.62616393  0.58950689  0.55636442
   0.82987725  0.77091141  0.81267897
   0.69343982  0.84016674  0.48230202
   0.96931136  0.99152775  0.81120490
   1.02135212  0.84328741  0.66185803
   0.77159906  0.96689774  0.69683269
   0.75771421  0.64638682  0.98363053
   0.52415610  0.72749746  0.88210313
   0.76756095  0.76685000  0.62110374
   0.89607824  0.87026342  0.44921017
   0.97398399  0.26075889  0.14871905
   0.78401508  1.15454590  0.17943272
   0.29822294  0.07362539  0.68163704
   0.35404353  0.32679102  0.50979850
   0.57869146  1.34526735 -0.05143069
  -0.21803958  1.53395807  0.10614874
   0.69902705  0.33238945  0.81088429
   0.64599235  0.58634261  0.71535999
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919354    0.090905   -0.187135
    -0.000000    9.590455   -0.020323
    -0.000000    0.000000   14.071318
   Si   O    H 
    32    64    10
Direct configuration=  3473
   0.16133646  0.18635494  0.00247532
   0.36742805  0.11307870  0.39473139
   0.15465300  0.45804376  0.09494794
   0.37310953  0.34876409  0.24713414
   0.08167897  0.16225186  0.48326445
   0.40151414  0.10419702  0.87335521
   0.17370350  0.37873198  0.61893009
   0.38981775  0.38266063  0.76626981
   0.15657064  0.72643988  0.00056840
   0.40050534  0.61482124  0.37661938
   0.11712563  0.96328557  0.15468376
   0.34045239  0.87068509  0.27494964
   0.15115359  0.59748676  0.50069761
   0.37017811  0.70675748  0.83934834
   0.10498599  0.86850284  0.57244227
   0.36490112  0.91829119  0.68079308
   0.65253118  0.12715598  0.99954899
   0.83791996  0.14388235  0.34478139
   0.59208644  0.43020897  0.09400407
   0.90305793  0.38364664  0.18457749
   0.62262009  0.20949291  0.49688510
   0.91406847  0.12735522  0.87025476
   0.64956038  0.47540034  0.63960450
   0.83269048  0.38934450  0.77797523
   0.58601851  0.69206462 -0.01419243
   0.93979448  0.58562281  0.34815921
   0.60209957  0.91919200  0.14983821
   0.87198709  0.87876993  0.24438026
   0.67534359  0.67115683  0.46637421
   0.87928364  0.65866379  0.89579321
   0.68055749  0.90204529  0.60926475
   0.89995012  0.88828522  0.73964675
   0.17579243  0.10796938  0.11125094
   0.38233688  0.19374485  0.29047858
   0.15796413  0.36012856  0.00287818
   0.36987411  0.46245903  0.33336958
   0.50686120  0.38531942  0.18250100
   0.23382806  0.38114252  0.18161391
   0.22284846  0.15525340  0.43022731
  -0.02078006  0.19985720  0.39782177
   0.03917872  0.01108530  0.53019154
   0.44399631  0.25990412  0.84211992
   0.07584512  0.27055753  0.57504050
   0.36207295  0.52500736  0.82487957
   0.49151911  0.40129229  0.67003108
   0.24696138  0.35491342  0.71334545
   0.27722246  0.12517114 -0.06192405
   0.00731222  0.15067786  0.96645004
   0.21940118  0.60387440  0.06228076
   0.34814378  0.70784120  0.27898924
   0.15675048  0.85911152  0.06838608
   0.38957208  0.95015278  0.37474738
   0.45570727  0.91759383  0.19752081
   0.18903936  0.92476159  0.25564905
   0.30815746  0.65398551  0.46253427
   0.07939056  0.52196561  0.39675053
   0.29422558  0.40366142  0.53598792
   0.33051916  0.75294269  0.73503660
   0.08380871  0.74512654  0.49852256
   0.41089688  0.98170509  0.79656233
   0.52054765  0.88904619  0.63900242
   0.26721709  0.88530025  0.58453724
   0.26037585  0.75573550 -0.08612651
   0.01861573  0.67210428  0.95500294
   0.67337448  0.06457554  0.10275316
   0.80950202  0.21799755  0.23685402
   0.61639581  0.29912385  0.01336891
   0.88186103  0.44720768  0.29530079
  -0.00217806  0.50016262  0.13333893
   0.75467710  0.44698658  0.11660263
   0.69718899  0.21483580  0.39160575
   0.46862945  0.19671837  0.46728743
   0.67330708  0.08056917  0.56332932
   0.92620979  0.25280899  0.79316867
   0.64482448  0.35494169  0.54708229
   0.89128976  0.50144329  0.85283874
   1.10258248  0.53182122  0.60521050
   0.80992341  0.42669987  0.66257762
   0.77981555  0.10802325  0.93096855
   0.52756131  0.05943520  0.94765995
   0.53781094  0.54584448  0.02907059
   0.94284339  0.73012998  0.29221848
   0.56760629  0.81921155  0.05628338
   0.85763494  0.98230458  0.33829138
   0.95201786  0.97758903  0.16802611
   0.72351789  0.84611215  0.20587250
   0.83784686  0.62733052  0.44261197
   0.56570054  0.63958375  0.38303109
   0.62593423  0.59008691  0.55676873
   0.82879997  0.77081819  0.81334600
   0.69386453  0.83963287  0.48152403
   0.96914237  0.99094037  0.81178991
   1.02371491  0.84249695  0.66242226
   0.77347503  0.96655123  0.69751547
   0.75771938  0.64528150  0.98406280
   0.52466777  0.72839877  0.88189851
   0.75467862  0.75950176  0.62522001
   0.89789639  0.88034684  0.44061634
   0.98262852  0.26709215  0.14564856
   0.78111406  1.15523127  0.17756074
   0.29389923  0.07408561  0.67921019
   0.34512178  0.32886026  0.51079304
   0.58317325  1.35349064 -0.05621032
  -0.21135882  1.54386608  0.10240867
   0.69466790  0.32609472  0.81341531
   0.63969833  0.59305624  0.71636672
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919492    0.092594   -0.186602
    -0.000000    9.590010   -0.024423
    -0.000000    0.000000   14.070439
   Si   O    H 
    32    64    10
Direct configuration=  3474
   0.16131534  0.18649462  0.00168238
   0.36622564  0.11471980  0.39494663
   0.15528836  0.45802082  0.09440705
   0.37274286  0.34769947  0.24723488
   0.08127166  0.16303155  0.48313926
   0.40273463  0.10345748  0.87233619
   0.17288131  0.38022722  0.61840108
   0.39071050  0.38361322  0.76611767
   0.15790532  0.72603069  0.00150060
   0.40068815  0.61464668  0.37578941
   0.11616199  0.96271810  0.15385374
   0.34164273  0.87157962  0.27508345
   0.15228257  0.59683550  0.50047256
   0.37119884  0.70725940  0.83827640
   0.10564788  0.86943752  0.57242333
   0.36350368  0.91959668  0.68095647
   0.65410000  0.12709413  1.00017173
   0.83803190  0.14444040  0.34396358
   0.59274116  0.42913271  0.09356880
   0.90324604  0.38485679  0.18497604
   0.62149390  0.20835358  0.49661977
   0.91395335  0.12698805  0.86998779
   0.65002321  0.47586230  0.64070014
   0.83269252  0.39021117  0.77803746
   0.58687743  0.69048886 -0.01419145
   0.93924298  0.58502427  0.34908823
   0.60358625  0.91760887  0.14956591
   0.87317565  0.87760542  0.24364445
   0.67610657  0.67031667  0.46720942
   0.87958176  0.65876881  0.89623350
   0.68118040  0.90333875  0.61048051
   0.89811761  0.88792691  0.73975973
   0.17476329  0.10787325  0.11048191
   0.38127910  0.19544971  0.29036056
   0.15856166  0.35852355  0.00317000
   0.37037389  0.46278087  0.33401076
   0.50863177  0.38683882  0.18322877
   0.23666236  0.38005709  0.18197243
   0.22263493  0.15309748  0.42854492
  -0.02100991  0.20125976  0.39804519
   0.03896490  0.01088789  0.52930247
   0.44518664  0.25915359  0.84071378
   0.07498674  0.27141954  0.57370707
   0.36289615  0.52524797  0.82537180
   0.49232522  0.39919459  0.66984270
   0.24742342  0.35445691  0.71378718
   0.27671518  0.12516045 -0.06219713
   0.00505704  0.14964158  0.96612254
   0.22013015  0.60371830  0.06198863
   0.34800788  0.70864412  0.27838581
   0.15896589  0.85983210  0.06820598
   0.38903581  0.95055882  0.37548052
   0.45507457  0.91572941  0.19905001
   0.18983596  0.92621766  0.25585289
   0.30723133  0.65364579  0.46320237
   0.08055054  0.52387882  0.39778726
   0.29681281  0.40343639  0.53631096
   0.33104481  0.75317521  0.73405483
   0.08241561  0.74620352  0.49738998
   0.40948905  0.98259937  0.79670686
   0.51993329  0.89081213  0.63943625
   0.26791509  0.88547197  0.58456577
   0.25975759  0.75561244 -0.08708069
   0.01964623  0.67183551  0.95435662
   0.67249314  0.06536504  0.10283164
   0.80834332  0.21717987  0.23753290
   0.61658059  0.29896313  0.01336741
   0.88393533  0.44774635  0.29466181
  -0.00086536  0.50106621  0.13322406
   0.75732132  0.44826789  0.11678567
   0.69578374  0.21377908  0.39151350
   0.46852569  0.19741210  0.46669704
   0.67524910  0.07935539  0.56296088
   0.92652149  0.25202606  0.79330221
   0.64532010  0.35608567  0.54618556
   0.89271570  0.50049644  0.85326706
   1.10336599  0.53081353  0.60332628
   0.81097096  0.42631721  0.66343091
   0.77798704  0.10794309  0.93076534
   0.52694177  0.06060131  0.94622702
   0.53768508  0.54560802  0.02928028
   0.94360953  0.73142033  0.29134854
   0.56856434  0.82179406  0.05771121
   0.85748972  0.98169732  0.33827638
   0.95071031  0.97726645  0.16858238
   0.72508794  0.84726559  0.20571098
   0.83708517  0.62680466  0.44209485
   0.56368182  0.63897523  0.38167374
   0.62646704  0.59073307  0.55689607
   0.82837796  0.77094810  0.81423581
   0.69365964  0.83926245  0.48099633
   0.96887804  0.99089825  0.81292872
   1.02467346  0.84165440  0.66352445
   0.77423908  0.96760122  0.69811039
   0.75848661  0.64502558  0.98467314
   0.52503492  0.72943378  0.88211291
   0.74313718  0.75423499  0.63297200
   0.89910778  0.88774510  0.43282239
   0.99112436  0.27228803  0.14100124
   0.78205104  1.16030943  0.18130560
   0.29362320  0.07353765  0.67514636
   0.34248003  0.32554385  0.51185803
   0.58968218  1.34897375 -0.05627125
  -0.20794783  1.55478000  0.09503047
   0.69431170  0.32554772  0.81419607
   0.63356919  0.59862655  0.71755690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919264    0.094249   -0.185745
    -0.000000    9.589424   -0.028886
    -0.000000    0.000000   14.069668
   Si   O    H 
    32    64    10
Direct configuration=  3475
   0.16053769  0.18592120  0.00102217
   0.36498790  0.11579185  0.39498037
   0.15551162  0.45903253  0.09395010
   0.37264741  0.34726457  0.24727582
   0.08104132  0.16413879  0.48318563
   0.40440843  0.10277066  0.87157271
   0.17279724  0.38180896  0.61795865
   0.39133663  0.38459410  0.76568738
   0.15948912  0.72583162  0.00212021
   0.40090540  0.61505888  0.37515967
   0.11584875  0.96217012  0.15298768
   0.34285266  0.87206833  0.27507338
   0.15389851  0.59632152  0.49994302
   0.37223208  0.70742377  0.83674264
   0.10621701  0.87112164  0.57255298
   0.36240428  0.92094861  0.68109884
   0.65585975  0.12716875  1.00021270
   0.83816855  0.14499517  0.34304317
   0.59327753  0.42773308  0.09378380
   0.90351456  0.38555602  0.18569105
   0.62057903  0.20751216  0.49700923
   0.91355325  0.12655862  0.86995272
   0.64993645  0.47669550  0.64170790
   0.83287516  0.39143762  0.77796371
   0.58804362  0.68964347 -0.01460302
   0.93845781  0.58418564  0.35046632
   0.60462495  0.91646180  0.14968448
   0.87444672  0.87643736  0.24326514
   0.67698171  0.66981247  0.46736223
   0.87954558  0.65873392  0.89669128
   0.68170721  0.90445136  0.61144490
   0.89682605  0.88745038  0.74007089
   0.17391190  0.10853114  0.11010507
   0.37992340  0.19678654  0.29060079
   0.15880351  0.35716842  0.00313146
   0.37111680  0.46261241  0.33430122
   0.51059814  0.38787652  0.18382436
   0.24005291  0.38000928  0.18266832
   0.22205296  0.14998000  0.42702304
  -0.02320119  0.20276213  0.39811967
   0.03906334  0.01016813  0.52779955
   0.44650557  0.25929541  0.83905033
   0.07452110  0.27137770  0.57287431
   0.36344466  0.52662693  0.82574485
   0.49343011  0.39822541  0.67062525
   0.24678932  0.35418449  0.71436166
   0.27579882  0.12530639 -0.06184509
   0.00393962  0.14877244  0.96579220
   0.22082647  0.60334355  0.06176540
   0.34804371  0.70935512  0.27827667
   0.16109110  0.86091515  0.06787180
   0.38942819  0.95184955  0.37666321
   0.45477785  0.91419334  0.20064577
   0.19037055  0.92740821  0.25615113
   0.30612082  0.65384091  0.46389285
   0.08230958  0.52613409  0.39887064
   0.29824994  0.40518480  0.53742322
   0.33158685  0.75424595  0.73327140
   0.08178643  0.74667752  0.49591658
   0.40850924  0.98333608  0.79650648
   0.51879642  0.89269309  0.63990356
   0.26787292  0.88580965  0.58452993
   0.25939718  0.75552112 -0.08753314
   0.02034820  0.67147087  0.95416025
   0.67125259  0.06560360  0.10284697
   0.80757951  0.21666913  0.23835951
   0.61572061  0.29899036  0.01258107
   0.88605580  0.44783603  0.29357250
   0.00042784  0.50251989  0.13374055
   0.75984219  0.44979618  0.11720192
   0.69497387  0.21260261  0.39153409
   0.46753425  0.19896981  0.46611139
   0.67644529  0.07828131  0.56253602
   0.92718014  0.25102304  0.79433844
   0.64564248  0.35659552  0.54559089
   0.89429792  0.49890954  0.85369835
   1.10262769  0.53038689  0.60058748
   0.81244257  0.42594640  0.66467001
   0.77653430  0.10897902  0.92995586
   0.52651239  0.06228800  0.94466409
   0.53644031  0.54581674  0.02910694
   0.94463543  0.73330244  0.29037790
   0.56962521  0.82321424  0.05913873
   0.85751679  0.98013595  0.33839002
   0.94959757  0.97593539  0.16872925
   0.72678894  0.84911093  0.20567877
   0.83570685  0.62634297  0.44077639
   0.56186819  0.63865672  0.38075301
   0.62681541  0.59102205  0.55681617
   0.82830339  0.77066177  0.81549721
   0.69382791  0.83936207  0.48058718
   0.96800325  0.99132060  0.81368224
   1.02428989  0.84041386  0.66514392
   0.77553264  0.96868007  0.69929657
   0.75920036  0.64565601  0.98504637
   0.52588689  0.72985439  0.88168263
   0.73603569  0.75067480  0.63985376
   0.89971056  0.89404695  0.42374283
   0.98925474  0.27676205  0.13807487
   0.78069992  1.16305069  0.18513999
   0.29584079  0.07197694  0.67154159
   0.34333920  0.31644050  0.51031787
   0.59628250  1.33324110 -0.05228825
  -0.20867761  1.56132220  0.08735097
   0.69810974  0.33018884  0.81590164
   0.63348116  0.59644577  0.71810938
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919139    0.095981   -0.184744
    -0.000000    9.588978   -0.033119
    -0.000000    0.000000   14.069111
   Si   O    H 
    32    64    10
Direct configuration=  3476
   0.15922183  0.18518511  0.00050834
   0.36442453  0.11656175  0.39491750
   0.15537919  0.45940433  0.09355929
   0.37246543  0.34729962  0.24748601
   0.08087601  0.16449434  0.48333138
   0.40530245  0.10196841  0.87146287
   0.17256191  0.38279143  0.61775074
   0.39116812  0.38549251  0.76483035
   0.16123543  0.72630538  0.00238004
   0.40089243  0.61623419  0.37464666
   0.11549326  0.96194436  0.15233576
   0.34470491  0.87275906  0.27531475
   0.15553585  0.59611921  0.49922365
   0.37347485  0.70693341  0.83577298
   0.10752450  0.87267535  0.57296388
   0.36153100  0.92240566  0.68111874
   0.65699782  0.12710908  0.99995050
   0.83823720  0.14646129  0.34222766
   0.59381306  0.42638148  0.09405793
   0.90381110  0.38599902  0.18662304
   0.62021687  0.20644766  0.49763361
   0.91375771  0.12544638  0.87009385
   0.64951650  0.47782243  0.64268722
   0.83302259  0.39259770  0.77749694
   0.58949644  0.68952287 -0.01505945
   0.93767274  0.58363812  0.35194374
   0.60551323  0.91533643  0.14972723
   0.87585469  0.87503177  0.24333909
   0.67792468  0.66945348  0.46719452
   0.87952008  0.65835311  0.89718694
   0.68237408  0.90517939  0.61241571
   0.89569755  0.88666338  0.74047930
   0.17349816  0.10903222  0.10961833
   0.37900544  0.19819297  0.29070653
   0.15925357  0.35585377  0.00252868
   0.37237347  0.46139589  0.33467609
   0.51187866  0.38879305  0.18427739
   0.24285961  0.37934338  0.18366698
   0.22116371  0.14690755  0.42605219
  -0.02644957  0.20427045  0.39779038
   0.03874898  0.00899636  0.52647076
   0.44781019  0.25934787  0.83728717
   0.07380125  0.27004936  0.57250901
   0.36489105  0.52829913  0.82630152
   0.49358644  0.39774927  0.67213005
   0.24613767  0.35349943  0.71550849
   0.27544002  0.12521577 -0.06228600
   0.00414075  0.14818555  0.96533382
   0.22250306  0.60262861  0.06187403
   0.34809183  0.70929243  0.27802884
   0.16248688  0.86128757  0.06762900
   0.38952664  0.95256727  0.37745429
   0.45438882  0.91336675  0.20151864
   0.19052799  0.92933055  0.25634161
   0.30486117  0.65413790  0.46453307
   0.08396861  0.52818942  0.40013366
   0.29903192  0.40725826  0.53867116
   0.33176196  0.75571157  0.73194270
   0.08042836  0.74709152  0.49479568
   0.40835318  0.98396157  0.79557307
   0.51791819  0.89425541  0.64087494
   0.26797761  0.88633614  0.58428759
   0.25854977  0.75598664 -0.08816122
   0.02052343  0.67114338  0.95339659
   0.66967030  0.06533939  0.10347512
   0.80660778  0.21764994  0.23876661
   0.61483656  0.29865629  0.01138237
   0.88699793  0.44835121  0.29245057
   0.00245513  0.50342201  0.13397517
   0.76223310  0.45229166  0.11720405
   0.69481342  0.21120864  0.39165800
   0.46553149  0.20154182  0.46520927
   0.67864832  0.07671127  0.56235092
   0.92762480  0.25103739  0.79498626
   0.64662870  0.35666697  0.54536902
   0.89630138  0.49805427  0.85399507
   1.10191008  0.53037377  0.59841935
   0.81399271  0.42594854  0.66565892
   0.77471332  0.10990585  0.92901725
   0.52542127  0.06455507  0.94361428
   0.53439069  0.54499115  0.02850935
   0.94533996  0.73518817  0.28918851
   0.57090909  0.82456820  0.05965094
   0.85764950  0.97813607  0.33861776
   0.94846941  0.97463910  0.16883382
   0.72777546  0.85016750  0.20525547
   0.83565820  0.62616919  0.43881262
   0.55930745  0.63831223  0.37952181
   0.62591634  0.59139123  0.55649036
   0.82907014  0.76979436  0.81658295
   0.69434740  0.84045962  0.48081946
   0.96754973  0.99172353  0.81457066
   1.02334516  0.83831644  0.66763253
   0.77671104  0.96984044  0.69995297
   0.75952023  0.64667501  0.98510006
   0.52671850  0.73016907  0.88159661
   0.73190317  0.75253548  0.64430846
   0.89763378  0.90323902  0.41018841
   0.98505498  0.28163289  0.13690043
   0.77643438  1.15960503  0.18009419
   0.30014094  0.07183192  0.66871123
   0.34371683  0.31449255  0.50998877
   0.60405206  1.31909040 -0.04793330
  -0.20932972  1.56207707  0.07920047
   0.70416032  0.34137790  0.81680792
   0.63349458  0.58893081  0.71604513
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919313    0.097552   -0.184241
    -0.000000    9.588608   -0.037281
    -0.000000    0.000000   14.068471
   Si   O    H 
    32    64    10
Direct configuration=  3477
   0.15837520  0.18498303  0.00057905
   0.36436500  0.11783457  0.39437061
   0.15506339  0.45897874  0.09330594
   0.37211155  0.34753172  0.24821305
   0.08051166  0.16435178  0.48322256
   0.40585609  0.10120963  0.87160596
   0.17295746  0.38311543  0.61759349
   0.39149938  0.38652030  0.76360261
   0.16271112  0.72616933  0.00214271
   0.40049644  0.61690892  0.37452362
   0.11504884  0.96144410  0.15198132
   0.34635367  0.87351617  0.27546275
   0.15760186  0.59632121  0.49893398
   0.37489390  0.70630937  0.83459705
   0.10922254  0.87416290  0.57339267
   0.36073203  0.92400380  0.68126711
   0.65837247  0.12757858  0.99993648
   0.83843514  0.14865038  0.34267208
   0.59411406  0.42529733  0.09413577
   0.90489922  0.38625101  0.18733866
   0.62069179  0.20540186  0.49854159
   0.91484878  0.12464193  0.87039334
   0.64898866  0.47876378  0.64301826
   0.83388549  0.39311141  0.77657733
   0.59108851  0.68920805 -0.01562499
   0.93752686  0.58331721  0.35399392
   0.60542869  0.91459057  0.15001154
   0.87727500  0.87320887  0.24326490
   0.67925286  0.66930559  0.46718531
   0.87837362  0.65785931  0.89774729
   0.68258480  0.90544090  0.61347748
   0.89510431  0.88605058  0.74095628
   0.17189091  0.11030945  0.10912653
   0.37802820  0.19939531  0.29039981
   0.15980485  0.35476365  0.00159208
   0.37370915  0.46042125  0.33551470
   0.51306013  0.38943703  0.18485258
   0.24466460  0.37922688  0.18392304
   0.21907953  0.14487384  0.42506792
  -0.02923825  0.20508958  0.39803060
   0.03704541  0.00811377  0.52508479
   0.44800164  0.26001793  0.83569415
   0.07347411  0.26794699  0.57196940
   0.36637157  0.53031778  0.82649936
   0.49389371  0.39721022  0.67403293
   0.24557706  0.35256497  0.71646204
   0.27497633  0.12513158 -0.06291548
   0.00502115  0.14803313  0.96563469
   0.22354496  0.60158191  0.06256634
   0.34879360  0.70874442  0.27779232
   0.16432230  0.86051814  0.06724421
   0.38939266  0.95285193  0.37799153
   0.45502816  0.91274820  0.20173450
   0.19010126  0.93131546  0.25640574
   0.30431607  0.65436032  0.46439592
   0.08493489  0.53016153  0.40204155
   0.30007447  0.40813841  0.53991615
   0.33222041  0.75750566  0.73032914
   0.07880013  0.74753912  0.49436155
   0.40822218  0.98469138  0.79485614
   0.51718813  0.89571199  0.64226574
   0.26706338  0.88643381  0.58427489
   0.25839877  0.75624203 -0.08867216
   0.02155120  0.67097799  0.95270759
   0.66842811  0.06545134  0.10507264
   0.80563710  0.21942850  0.23858281
   0.61392740  0.29767652  0.01183294
   0.88836375  0.44815431  0.29127563
   0.00484968  0.50453114  0.13451365
   0.76462179  0.45489749  0.11672228
   0.69481294  0.21010516  0.39192359
   0.46361406  0.20381693  0.46463326
   0.68102266  0.07477041  0.56191666
   0.92855561  0.25123385  0.79491193
   0.64827232  0.35658804  0.54483861
   0.89810264  0.49796118  0.85481375
   1.10083730  0.53100656  0.59628718
   0.81492910  0.42461219  0.66679601
   0.77336228  0.11002549  0.92780497
   0.52490649  0.06705432  0.94318033
   0.53215734  0.54479672  0.02729247
   0.94527186  0.73764634  0.28863313
   0.57274187  0.82443148  0.05945872
   0.85752781  0.97557933  0.33924129
   0.94756477  0.97361965  0.16818485
   0.72880402  0.85106790  0.20494752
   0.83520622  0.62556064  0.43705334
   0.55784589  0.63780790  0.37852296
   0.62488656  0.59187092  0.55609207
   0.83018310  0.76842883  0.81713837
   0.69430108  0.84124404  0.48174511
   0.96728803  0.99262613  0.81597562
   1.02268232  0.83643045  0.66980836
   0.77638901  0.97115482  0.70046554
   0.76001191  0.64790899  0.98520524
   0.52833260  0.73006142  0.88183339
   0.72987161  0.75988083  0.64932263
   0.89114786  0.92090556  0.39687301
   0.98060112  0.28538485  0.13701769
   0.77590880  1.15992447  0.17802136
   0.30167738  0.07201989  0.66766079
   0.34039811  0.32479111  0.51313653
   0.60134844  1.31833920 -0.07097245
  -0.21697961  1.55769537  0.07105678
   0.70982461  0.35269303  0.81545800
   0.63579115  0.58082090  0.71698779
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919655    0.099426   -0.183307
    -0.000000    9.588127   -0.041555
    -0.000000    0.000000   14.068097
   Si   O    H 
    32    64    10
Direct configuration=  3478
   0.15792992  0.18484182  0.00071299
   0.36434953  0.11859718  0.39365761
   0.15508031  0.45853219  0.09318423
   0.37201548  0.34755424  0.24852639
   0.08046972  0.16395749  0.48317313
   0.40554963  0.10133220  0.87121084
   0.17320124  0.38318537  0.61742625
   0.39195337  0.38768839  0.76254734
   0.16370855  0.72608275  0.00161213
   0.39991232  0.61698126  0.37452944
   0.11523418  0.96098321  0.15133343
   0.34813283  0.87380765  0.27552758
   0.15907020  0.59718797  0.49826349
   0.37603123  0.70525617  0.83391758
   0.11017224  0.87542754  0.57400427
   0.35989415  0.92617644  0.68160217
   0.65946653  0.12744510  1.00018034
   0.83821960  0.15099956  0.34347746
   0.59494841  0.42468440  0.09397862
   0.90605137  0.38684468  0.18777115
   0.62131821  0.20470099  0.49984525
   0.91615966  0.12408591  0.87082235
   0.64837446  0.47947161  0.64310131
   0.83499588  0.39352288  0.77606642
   0.59270800  0.68925009 -0.01611938
   0.93703832  0.58340491  0.35535393
   0.60493695  0.91422815  0.14989197
   0.87830817  0.87135004  0.24317600
   0.68017341  0.66985401  0.46709015
   0.87766661  0.65731067  0.89826695
   0.68197384  0.90594753  0.61433869
   0.89459590  0.88554877  0.74150824
   0.17010142  0.11225990  0.10891191
   0.37761232  0.19985830  0.28988395
   0.16044921  0.35438134  0.00171657
   0.37466904  0.45941715  0.33604014
   0.51407065  0.38990438  0.18549820
   0.24596886  0.38038660  0.18324803
   0.21634047  0.14364142  0.42449137
  -0.03205220  0.20509599  0.39793213
   0.03528511  0.00753103  0.52361002
   0.44837159  0.26075647  0.83472849
   0.07336003  0.26639445  0.57147493
   0.36861819  0.53260797  0.82715145
   0.49446110  0.39683605  0.67576148
   0.24417861  0.35150157  0.71768282
   0.27429406  0.12505950 -0.06364897
   0.00603379  0.14758424  0.96556052
   0.22501683  0.60060889  0.06312771
   0.35000900  0.70803244  0.27780557
   0.16591993  0.85951057  0.06734556
   0.38944045  0.95222326  0.37842119
   0.45646600  0.91249367  0.20158122
   0.18873797  0.93268010  0.25624180
   0.30407514  0.65487110  0.46388305
   0.08598793  0.53240390  0.40358780
   0.30035367  0.40880653  0.54095264
   0.33214714  0.75962484  0.72887037
   0.07667840  0.74793234  0.49486688
   0.40828638  0.98510358  0.79400827
   0.51686091  0.89703742  0.64360970
   0.26696989  0.88607586  0.58445068
   0.25879266  0.75705340 -0.08935305
   0.02250191  0.67177054  0.95215426
   0.66761188  0.06582846  0.10672829
   0.80493794  0.22064546  0.23794051
   0.61267550  0.29684199  0.01230675
   0.88918113  0.44844525  0.29053250
   0.00706636  0.50458829  0.13550450
   0.76594299  0.45788628  0.11605053
   0.69612229  0.20880161  0.39230969
   0.46159268  0.20646378  0.46438555
   0.68356439  0.07282551  0.56163409
   0.93003382  0.25141968  0.79491194
   0.64951196  0.35624494  0.54421114
   0.90014689  0.49793187  0.85567172
   1.09981812  0.53195937  0.59440343
   0.81544708  0.42324400  0.66786151
   0.77168913  0.11035827  0.92615442
   0.52560756  0.06875830  0.94307670
   0.53023970  0.54485374  0.02525026
   0.94477458  0.74031123  0.28750614
   0.57501727  0.82311421  0.05924323
   0.85755783  0.97411053  0.33960971
   0.94783183  0.97214154  0.16722100
   0.72953617  0.85188056  0.20506728
   0.83391723  0.62409750  0.43505165
   0.55734937  0.63726443  0.37870947
   0.62398744  0.59259452  0.55595964
   0.83109872  0.76724194  0.81794511
   0.69418345  0.84160238  0.48334041
   0.96766925  0.99290065  0.81739097
   1.02228743  0.83426252  0.67186829
   0.77604379  0.97223893  0.70076393
   0.76006295  0.64823906  0.98465362
   0.53022936  0.73009836  0.88240502
   0.73044645  0.76855774  0.65146777
   0.88601375  0.93983881  0.38796506
   0.97614855  0.28107023  0.13686262
   0.77714965  1.15882051  0.18184714
   0.30384788  0.07423674  0.66733684
   0.34100834  0.33343482  0.51317733
   0.59718257  1.31673815 -0.08493776
  -0.22391188  1.55031962  0.06455574
   0.70638269  0.36064321  0.81723054
   0.63811964  0.57678547  0.72239378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920308    0.100968   -0.181817
    -0.000000    9.587764   -0.045451
    -0.000000    0.000000   14.068030
   Si   O    H 
    32    64    10
Direct configuration=  3479
   0.15727923  0.18484218  0.00093215
   0.36427149  0.11905187  0.39239117
   0.15556086  0.45798116  0.09317495
   0.37149885  0.34750324  0.24846708
   0.08020097  0.16304910  0.48331879
   0.40525249  0.10200488  0.87103005
   0.17407142  0.38302536  0.61727652
   0.39244754  0.38903578  0.76155734
   0.16491261  0.72655971  0.00071681
   0.39968390  0.61725565  0.37380633
   0.11562473  0.96112493  0.15056603
   0.34914396  0.87418125  0.27607362
   0.15965967  0.59767098  0.49714574
   0.37687187  0.70411257  0.83361182
   0.11011667  0.87629920  0.57437388
   0.35975056  0.92765459  0.68183804
   0.66040633  0.12753989  1.00021282
   0.83778819  0.15320254  0.34412900
   0.59577163  0.42494565  0.09328210
   0.90661611  0.38756202  0.18780794
   0.62207759  0.20395200  0.50092241
   0.91731824  0.12424036  0.87140011
   0.64792087  0.47968284  0.64339164
   0.83592060  0.39307891  0.77588196
   0.59475726  0.68885531 -0.01651521
   0.93687643  0.58341671  0.35693921
   0.60413095  0.91458143  0.14982882
   0.87892922  0.86960723  0.24255813
   0.68101212  0.67110604  0.46670652
   0.87705889  0.65624962  0.89876132
   0.68109574  0.90613573  0.61490997
   0.89450539  0.88432188  0.74258719
   0.16766991  0.11410689  0.10827206
   0.37699886  0.19947989  0.28994402
   0.16043094  0.35331968  0.00190215
   0.37554615  0.45860389  0.33650528
   0.51459342  0.39057849  0.18681000
   0.24553873  0.38102298  0.18141747
   0.21373358  0.14288256  0.42442493
  -0.03538670  0.20487836  0.39808511
   0.03469877  0.00819759  0.52230904
   0.44874503  0.26087766  0.83368741
   0.07296556  0.26547966  0.57074629
   0.37016327  0.53398416  0.82725277
   0.49436819  0.39660845  0.67796009
   0.24263185  0.35089079  0.71976369
   0.27390056  0.12487937 -0.06493294
   0.00733404  0.14775365  0.96533275
   0.22597784  0.59944422  0.06378798
   0.35035468  0.70758047  0.27827860
   0.16776160  0.85840188  0.06754299
   0.38899462  0.95206606  0.37916444
   0.45836409  0.91206143  0.20120811
   0.18780790  0.93414882  0.25559706
   0.30429928  0.65526586  0.46340161
   0.08650482  0.53410344  0.40481622
   0.29980508  0.41003454  0.54154315
   0.33196026  0.76161174  0.72743519
   0.07413614  0.74928481  0.49553081
   0.40766078  0.98519472  0.79306930
   0.51669239  0.89848657  0.64469460
   0.26740261  0.88565741  0.58449736
   0.25852985  0.75803242 -0.08960117
   0.02351332  0.67305142  0.95184473
   0.66689738  0.06694969  0.10779920
   0.80446239  0.22065945  0.23729411
   0.61129574  0.29599090  0.01216403
   0.88904301  0.44946013  0.29030533
   0.00970900  0.50514655  0.13652799
   0.76527593  0.46095570  0.11610697
   0.69737413  0.20706865  0.39244582
   0.45963810  0.20873873  0.46457265
   0.68563570  0.07088195  0.56151987
   0.93127120  0.25096784  0.79490986
   0.65046237  0.35565637  0.54379771
   0.90215931  0.49907821  0.85656046
   1.09843270  0.53245473  0.59320673
   0.81588780  0.42124552  0.66889517
   0.77032543  0.11109537  0.92422481
   0.52702104  0.06981614  0.94340181
   0.52837806  0.54475715  0.02311238
   0.94468822  0.74201775  0.28718596
   0.57679575  0.82067434  0.05809314
   0.85653261  0.97530477  0.33783266
   0.94784627  0.97068100  0.16618138
   0.73002901  0.85219481  0.20598048
   0.83288067  0.62259835  0.43317419
   0.55717750  0.63673154  0.37933594
   0.62306453  0.59263911  0.55593235
   0.83201100  0.76664716  0.81881392
   0.69379140  0.84132976  0.48464326
   0.96792082  0.99271586  0.81824928
   1.02115096  0.83247515  0.67331197
   0.77564994  0.97322348  0.70133188
   0.76059175  0.64774704  0.98383092
   0.53133938  0.73023259  0.88284414
   0.73423529  0.77724592  0.65121048
   0.89982547  0.92700399  0.42310511
   0.97366165  0.27306019  0.13289920
   0.78054876  1.15690245  0.18331962
   0.30609687  0.07337149  0.66367978
   0.35115677  0.32595904  0.50911090
   0.59123110  1.31607410 -0.09085336
  -0.22961337  1.53772903  0.05765868
   0.69871516  0.36669205  0.82181615
   0.63788900  0.57650783  0.72910530
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920515    0.102901   -0.180763
    -0.000000    9.587436   -0.048838
    -0.000000    0.000000   14.067592
   Si   O    H 
    32    64    10
Direct configuration=  3480
   0.15695905  0.18501870  0.00117473
   0.36420541  0.11952613  0.39175233
   0.15657533  0.45748596  0.09311590
   0.37150404  0.34773107  0.24828676
   0.07989377  0.16188844  0.48329756
   0.40535429  0.10231769  0.87051576
   0.17478652  0.38325575  0.61734342
   0.39322162  0.39015413  0.76066123
   0.16621111  0.72711024 -0.00007781
   0.39909326  0.61745218  0.37276530
   0.11594109  0.96153263  0.14962497
   0.35055350  0.87496870  0.27634163
   0.16039529  0.59899058  0.49644786
   0.37733876  0.70321101  0.83364496
   0.10955162  0.87667018  0.57497745
   0.35970053  0.92863508  0.68167024
   0.66116321  0.12757430  1.00042798
   0.83714258  0.15550548  0.34465720
   0.59675008  0.42547101  0.09287182
   0.90709038  0.38763714  0.18752780
   0.62253614  0.20340420  0.50166310
   0.91775560  0.12438301  0.87201596
   0.64695287  0.47935016  0.64332833
   0.83690938  0.39212691  0.77605237
   0.59602341  0.68914449 -0.01718473
   0.93698446  0.58369049  0.35799184
   0.60358790  0.91533292  0.14934483
   0.87924016  0.86844143  0.24259869
   0.68211221  0.67262302  0.46609428
   0.87705245  0.65482895  0.89898834
   0.67977634  0.90606156  0.61566472
   0.89492985  0.88322203  0.74339535
   0.16489556  0.11559339  0.10759287
   0.37693363  0.19867981  0.29002618
   0.16092244  0.35235780  0.00251212
   0.37717331  0.45742984  0.33720927
   0.51422695  0.39101084  0.18742664
   0.24527881  0.38190155  0.17965236
   0.21172007  0.14249224  0.42441735
  -0.03808998  0.20445399  0.39802349
   0.03361698  0.00911269  0.52089918
   0.44902487  0.26224407  0.83276577
   0.07221722  0.26484866  0.57029721
   0.37221595  0.53530185  0.82716274
   0.49419222  0.39538691  0.68002354
   0.24075305  0.35081470  0.72228433
   0.27342966  0.12478581 -0.06609715
   0.00790322  0.14737812  0.96453005
   0.22679883  0.59821258  0.06444192
   0.35072288  0.70775914  0.27934906
   0.16862917  0.85745515  0.06803715
   0.38845139  0.95158144  0.37966661
   0.46120840  0.91154531  0.20091407
   0.18713493  0.93535116  0.25483048
   0.30564623  0.65666215  0.46293239
   0.08699223  0.53564713  0.40539287
   0.29910429  0.41067718  0.54191133
   0.33209056  0.76396859  0.72600986
   0.07246366  0.75068583  0.49627817
   0.40633472  0.98507766  0.79217272
   0.51672993  0.89973458  0.64528183
   0.26832498  0.88489781  0.58438552
   0.25884207  0.75863820 -0.09002521
   0.02453092  0.67564121  0.95192270
   0.66559994  0.06796113  0.10856660
   0.80460356  0.22068622  0.23685718
   0.61021021  0.29632634  0.01210943
   0.88861649  0.45001649  0.29013950
   0.01264750  0.50583933  0.13689841
   0.76367660  0.46383819  0.11617618
   0.69892165  0.20503399  0.39244740
   0.45764814  0.21042529  0.46474878
   0.68757473  0.06892400  0.56133980
   0.93263765  0.25085203  0.79449222
   0.65118719  0.35462121  0.54309070
   0.90409805  0.50044058  0.85765652
   1.09786327  0.53339189  0.59269815
   0.81577000  0.41978327  0.66963982
   0.76953067  0.11112683  0.92227361
   0.52808595  0.07073221  0.94383488
   0.52667374  0.54445324  0.02115641
   0.94519027  0.74161703  0.28711397
   0.57797125  0.81884812  0.05644155
   0.85479594  0.97689880  0.33695520
   0.94767793  0.96914877  0.16562806
   0.72984540  0.85319998  0.20712781
   0.83138279  0.62130274  0.43203369
   0.55699794  0.63589763  0.38037506
   0.62187420  0.59361320  0.55634809
   0.83334573  0.76577690  0.81950730
   0.69331868  0.84127388  0.48608196
   0.96861611  0.99215112  0.81979866
   1.02083370  0.83063571  0.67448507
   0.77568930  0.97521502  0.70146341
   0.76095324  0.64725113  0.98286654
   0.53212456  0.73035071  0.88344965
   0.74217887  0.77742075  0.65357970
   0.90839088  0.91902406  0.44966520
   0.96621027  0.26545777  0.13070261
   0.78198787  1.15195089  0.18112168
   0.30844334  0.07254892  0.65989961
   0.35867152  0.32419239  0.50653540
   0.58561067  1.31696047 -0.09127149
  -0.22903712  1.52896351  0.05102926
   0.69293674  0.37115515  0.82891791
   0.63548847  0.57653513  0.73318274
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920785    0.104880   -0.179840
    -0.000000    9.587718   -0.052298
    -0.000000    0.000000   14.067405
   Si   O    H 
    32    64    10
Direct configuration=  3481
   0.15693352  0.18515484  0.00136394
   0.36292615  0.11923682  0.39063799
   0.15802138  0.45676418  0.09322620
   0.37138623  0.34870342  0.24792234
   0.07937103  0.16110539  0.48315331
   0.40531714  0.10227835  0.87019177
   0.17516644  0.38358679  0.61743585
   0.39349322  0.39173536  0.76039929
   0.16709839  0.72694774 -0.00112865
   0.39865035  0.61714509  0.37196987
   0.11566288  0.96261115  0.14865452
   0.35130799  0.87631875  0.27674885
   0.16104292  0.60041561  0.49553836
   0.37716417  0.70264950  0.83358421
   0.10922471  0.87646098  0.57523406
   0.35989824  0.92916578  0.68134808
   0.66141544  0.12714065  1.00054295
   0.83609877  0.15757201  0.34509911
   0.59732496  0.42526274  0.09263239
   0.90820584  0.38726565  0.18678768
   0.62331887  0.20257179  0.50259863
   0.91827678  0.12526982  0.87284578
   0.64617463  0.47936308  0.64318294
   0.83723447  0.39121400  0.77637424
   0.59739979  0.68963792 -0.01734540
   0.93770406  0.58400792  0.35906256
   0.60339976  0.91626206  0.14870687
   0.87867739  0.86760729  0.24248447
   0.68298496  0.67413032  0.46525430
   0.87737353  0.65353657  0.89925122
   0.67815310  0.90586635  0.61584885
   0.89501776  0.88275317  0.74424441
   0.16157327  0.11743431  0.10666334
   0.37703260  0.19698207  0.29039098
   0.16006721  0.35157059  0.00296633
   0.37845469  0.45537951  0.33749551
   0.51445281  0.39206973  0.18801636
   0.24479390  0.38329067  0.17763186
   0.20972190  0.14182756  0.42447268
  -0.03833870  0.20423898  0.39812948
   0.03259837  0.00982186  0.51916963
   0.44869877  0.26349188  0.83185738
   0.07210568  0.26429074  0.57021172
   0.37406713  0.53586433  0.82701790
   0.49478592  0.39412842  0.68149499
   0.23905744  0.35041957  0.72435699
   0.27274607  0.12415462 -0.06694715
   0.00876315  0.14610306  0.96380607
   0.22743175  0.59804659  0.06522163
   0.35156495  0.70757674  0.28022026
   0.16964883  0.85694535  0.06870609
   0.38839153  0.95129879  0.38004986
   0.46387406  0.91140989  0.20006631
   0.18810240  0.93658371  0.25368087
   0.30716739  0.65806167  0.46289719
   0.08689179  0.53683403  0.40570726
   0.29877268  0.41057391  0.54233605
   0.33217247  0.76524080  0.72496984
   0.07037375  0.75251029  0.49695091
   0.40447624  0.98507263  0.79122689
   0.51752611  0.90071977  0.64562437
   0.26855714  0.88436239  0.58457459
   0.26031875  0.75846301 -0.09047782
   0.02573831  0.67875556  0.95143321
   0.66397750  0.06856269  0.10885056
   0.80486229  0.22031628  0.23580913
   0.60927940  0.29701233  0.01233273
   0.88824603  0.45132568  0.29047448
   0.01590961  0.50614904  0.13792072
   0.76250525  0.46720189  0.11598649
   0.69966586  0.20241262  0.39224965
   0.45610195  0.21157831  0.46533207
   0.68922718  0.06671555  0.56098972
   0.93374099  0.25082640  0.79432393
   0.65193177  0.35324935  0.54261734
   0.90625089  0.50168245  0.85823880
   1.09659566  0.53295565  0.59207809
   0.81572524  0.41893039  0.66990773
   0.76909090  0.11067579  0.92038028
   0.52857300  0.07161707  0.94474339
   0.52566470  0.54455925  0.01957175
   0.94620373  0.74034891  0.28758929
   0.57976647  0.81678704  0.05530393
   0.85369696  0.97812474  0.33617925
   0.94794758  0.96722603  0.16466125
   0.72950966  0.85288512  0.20845863
   0.82920615  0.62031044  0.43140327
   0.55758604  0.63467065  0.38140988
   0.62126505  0.59460357  0.55659331
   0.83394135  0.76399726  0.81973237
   0.69394940  0.84076084  0.48776919
   0.97082755  0.99106371  0.82072424
   1.02054988  0.82937450  0.67569679
   0.77494684  0.97706952  0.70095624
   0.76092434  0.64670889  0.98183346
   0.53271069  0.73052626  0.88388092
   0.75283177  0.77337246  0.65286766
   0.91399686  0.91261988  0.47299119
   0.95756082  0.26381003  0.13231395
   0.78197142  1.14898632  0.18117632
   0.30745236  0.07362743  0.65926375
   0.35920684  0.32831190  0.50773833
   0.57567753  1.31705578 -0.08535373
  -0.22882899  1.52286349  0.04748481
   0.69226926  0.37552787  0.83437263
   0.63244257  0.57799404  0.73098720
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920759    0.106659   -0.178578
    -0.000000    9.588012   -0.055393
    -0.000000    0.000000   14.067335
   Si   O    H 
    32    64    10
Direct configuration=  3482
   0.15727593  0.18556500  0.00165438
   0.36176477  0.11886707  0.38972876
   0.16001764  0.45644983  0.09350487
   0.37070846  0.35006495  0.24711786
   0.07842084  0.16118442  0.48297118
   0.40529899  0.10241306  0.86965024
   0.17535145  0.38485506  0.61735066
   0.39355769  0.39307442  0.76066518
   0.16839942  0.72689974 -0.00254838
   0.39854911  0.61741240  0.37148848
   0.11542286  0.96410284  0.14792630
   0.35193271  0.87747883  0.27675427
   0.16160759  0.60182749  0.49473446
   0.37656728  0.70218164  0.83317430
   0.10816826  0.87592085  0.57623962
   0.35997769  0.92948620  0.68113905
   0.66123210  0.12690029  1.00068150
   0.83489038  0.15890948  0.34517538
   0.59754238  0.42541852  0.09280094
   0.90881433  0.38773119  0.18605188
   0.62440037  0.20251659  0.50372578
   0.91849407  0.12629510  0.87348625
   0.64487560  0.47922248  0.64312780
   0.83765279  0.39009976  0.77702228
   0.59837838  0.68979586 -0.01779135
   0.93923735  0.58415792  0.35937137
   0.60327335  0.91663614  0.14834961
   0.87789836  0.86763746  0.24255489
   0.68362200  0.67528885  0.46434451
   0.87834823  0.65194725  0.89965973
   0.67634367  0.90519351  0.61564395
   0.89511208  0.88196229  0.74476510
   0.15751427  0.11992304  0.10637760
   0.37775125  0.19532032  0.28991981
   0.15903608  0.35035639  0.00364300
   0.37905115  0.45414828  0.33820427
   0.51540430  0.39225864  0.18919683
   0.24406335  0.38380088  0.17544368
   0.20790889  0.14085126  0.42435049
  -0.03699001  0.20400693  0.39869620
   0.03065786  0.00916532  0.51764623
   0.44799447  0.26427444  0.83060104
   0.07163730  0.26391880  0.57011898
   0.37619975  0.53494031  0.82701135
   0.49646264  0.39325207  0.68253194
   0.23724820  0.35028019  0.72563439
   0.27202746  0.12354408 -0.06800806
   0.00929586  0.14543624  0.96317397
   0.22775624  0.59857309  0.06568977
   0.35166450  0.70754600  0.28119073
   0.17013040  0.85661249  0.06921705
   0.38859306  0.95105123  0.38005306
   0.46607514  0.91129662  0.19880196
   0.19014573  0.93662589  0.25252213
   0.30921369  0.65975975  0.46305646
   0.08568551  0.53832332  0.40535883
   0.29771551  0.40980443  0.54234500
   0.33189599  0.76627009  0.72476096
   0.06884755  0.75439249  0.49786107
   0.40351383  0.98538157  0.79100620
   0.51928821  0.90133719  0.64625290
   0.26818783  0.88323308  0.58365313
   0.26222355  0.75857305 -0.09157460
   0.02664536  0.68117954  0.95085829
   0.66233411  0.06923683  0.10935598
   0.80471722  0.22093238  0.23436020
   0.60856884  0.29794037  0.01204300
   0.88682052  0.45216638  0.29067490
   0.01852051  0.50619412  0.13887845
   0.76090763  0.47014136  0.11448929
   0.70007716  0.20003709  0.39270612
   0.45429877  0.21240741  0.46584867
   0.69054794  0.06556218  0.56064911
   0.93565217  0.25099432  0.79415969
   0.65172788  0.35228464  0.54230911
   0.90802880  0.50345288  0.85807465
   1.09626871  0.53201835  0.59114134
   0.81551304  0.41804876  0.66921810
   0.76884153  0.10972737  0.91851744
   0.52957395  0.07224881  0.94578772
   0.52516621  0.54412803  0.01825041
   0.94734849  0.73769008  0.28872487
   0.58168452  0.81530918  0.05417586
   0.85255632  0.97898509  0.33573325
   0.94866525  0.96646316  0.16316848
   0.72854221  0.85190067  0.20932809
   0.82624103  0.61988705  0.43140892
   0.55846351  0.63334623  0.38237333
   0.61999272  0.59624555  0.55744706
   0.83414537  0.76290038  0.82037251
   0.69414089  0.84009547  0.48897507
   0.97386826  0.98996444  0.82109694
   1.02040399  0.82871626  0.67650447
   0.77456427  0.97866062  0.70077284
   0.76050415  0.64487551  0.98069387
   0.53267342  0.73079100  0.88439095
   0.75918592  0.76604016  0.64980071
   0.92167282  0.90885839  0.49103010
   0.94931902  0.26200474  0.13254559
   0.78193557  1.15116846  0.18673092
   0.30506848  0.07735619  0.66146736
   0.35536972  0.33592879  0.51140455
   0.56759717  1.31413932 -0.07621422
  -0.22407610  1.51962480  0.04703457
   0.69356626  0.38108323  0.83676567
   0.63220362  0.57739166  0.72454375
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920879    0.108519   -0.177592
    -0.000000    9.588079   -0.058113
    -0.000000    0.000000   14.067402
   Si   O    H 
    32    64    10
Direct configuration=  3483
   0.15664762  0.18627541  0.00159732
   0.36047990  0.11814071  0.38884929
   0.16170556  0.45636717  0.09371958
   0.36972343  0.35148163  0.24632708
   0.07734140  0.16144316  0.48262946
   0.40552313  0.10260313  0.86862914
   0.17544590  0.38642167  0.61708741
   0.39290096  0.39431200  0.76139018
   0.16961670  0.72600686 -0.00351198
   0.39843406  0.61704132  0.37096314
   0.11520134  0.96532867  0.14719541
   0.35251429  0.87887847  0.27648289
   0.16188619  0.60326286  0.49428275
   0.37564213  0.70194566  0.83250030
   0.10741645  0.87518860  0.57770174
   0.36033607  0.93003896  0.68108041
   0.66130001  0.12704683  1.00102568
   0.83345363  0.15949387  0.34523145
   0.59742610  0.42550926  0.09275712
   0.91006131  0.38848088  0.18510112
   0.62586241  0.20210885  0.50480190
   0.91924209  0.12694726  0.87396783
   0.64388844  0.47849784  0.64286115
   0.83808737  0.38863765  0.77782611
   0.59858943  0.69005972 -0.01828640
   0.94093358  0.58402355  0.35943815
   0.60348826  0.91674965  0.14760287
   0.87768337  0.86828718  0.24306928
   0.68411913  0.67605463  0.46395278
   0.87947652  0.65044811  0.90027173
   0.67407400  0.90458485  0.61514958
   0.89466126  0.88127683  0.74541572
   0.15364600  0.12069366  0.10610755
   0.37793196  0.19397874  0.28929903
   0.15848979  0.34893333  0.00377764
   0.37867705  0.45276556  0.33886523
   0.51688564  0.39348959  0.18994892
   0.24359598  0.38346014  0.17405681
   0.20694998  0.13945987  0.42415401
  -0.03615427  0.20391200  0.40013594
   0.02871389  0.00773990  0.51637404
   0.44711169  0.26414274  0.83007894
   0.07165249  0.26382357  0.57123811
   0.37735169  0.53427163  0.82763883
   0.49856998  0.39224953  0.68357002
   0.23525491  0.35037510  0.72718902
   0.27189717  0.12385566 -0.06897813
   0.00951246  0.14511560  0.96293460
   0.22875095  0.59953505  0.06599508
   0.35146620  0.70795542  0.28218253
   0.17080248  0.85636708  0.06954236
   0.38917146  0.95063580  0.38073432
   0.46646267  0.91089004  0.19749651
   0.19214128  0.93655226  0.25117386
   0.31090338  0.66078822  0.46354234
   0.08396613  0.53919789  0.40490498
   0.29564422  0.40902808  0.54187066
   0.33164143  0.76703727  0.72514556
   0.06786102  0.75660310  0.49899619
   0.40257735  0.98637422  0.79139347
   0.52108456  0.90166377  0.64690367
   0.26766883  0.88194320  0.58250113
   0.26414892  0.75864550 -0.09237209
   0.02753338  0.68383384  0.94999919
   0.66121643  0.06931225  0.10992773
   0.80435917  0.22142607  0.23330954
   0.60697650  0.29907075  0.01182991
   0.88459163  0.45335679  0.29066500
   0.02043027  0.50543374  0.13980732
   0.75898319  0.47246465  0.11316765
   0.69964314  0.19887145  0.39348639
   0.45241278  0.21302936  0.46616460
   0.69148598  0.06575927  0.56015897
   0.93644296  0.25141367  0.79440394
   0.65220838  0.35176540  0.54172859
   0.90906807  0.50477110  0.85733028
   1.09634873  0.53035952  0.59016429
   0.81473949  0.41685193  0.66819614
   0.76894541  0.10858107  0.91657633
   0.53065012  0.07250285  0.94653421
   0.52499683  0.54356800  0.01750111
   0.94812679  0.73419140  0.29049681
   0.58361906  0.81496335  0.05371556
   0.85203845  0.98003489  0.33545332
   0.94966635  0.96541178  0.16180572
   0.72844977  0.84984183  0.21012455
   0.82387528  0.61926085  0.43150780
   0.55913603  0.63259207  0.38360625
   0.61928552  0.59799925  0.55813106
   0.83414316  0.76267555  0.82065418
   0.69409496  0.83976015  0.49025981
   0.97663360  0.98896327  0.82097160
   1.02052411  0.82863242  0.67643486
   0.77392829  0.97983890  0.70078578
   0.76056538  0.64236569  0.97974465
   0.53312665  0.73014681  0.88461253
   0.75763976  0.76288132  0.64463283
   0.92765294  0.91203189  0.50497996
   0.94743480  0.26541767  0.13214315
   0.78265846  1.14895374  0.19056848
   0.30280918  0.07988664  0.66388713
   0.35775265  0.34107136  0.51414785
   0.55854429  1.30808276 -0.06446380
  -0.21992239  1.51930348  0.05124408
   0.69996780  0.38408261  0.83530878
   0.63534730  0.57672605  0.71763611
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920813    0.111064   -0.176309
    -0.000000    9.587917   -0.060802
    -0.000000    0.000000   14.067649
   Si   O    H 
    32    64    10
Direct configuration=  3484
   0.15650736  0.18639755  0.00102656
   0.35921885  0.11754773  0.38837216
   0.16326615  0.45597239  0.09385564
   0.36914316  0.35310320  0.24560054
   0.07532711  0.16217715  0.48216522
   0.40528762  0.10387786  0.86771668
   0.17544948  0.38676581  0.61658893
   0.39152315  0.39505334  0.76203654
   0.17065925  0.72490690 -0.00421109
   0.39871011  0.61613318  0.37070093
   0.11504329  0.96675596  0.14620509
   0.35251310  0.88057211  0.27629802
   0.16226467  0.60511260  0.49387567
   0.37520720  0.70222907  0.83168024
   0.10701408  0.87470175  0.57884116
   0.36104906  0.93084627  0.68103238
   0.66071159  0.12710049  1.00113285
   0.83229206  0.15917626  0.34524374
   0.59703392  0.42579734  0.09286620
   0.91066953  0.38933708  0.18434488
   0.62745057  0.20105867  0.50570503
   0.91975908  0.12767921  0.87392515
   0.64300205  0.47789188  0.64216113
   0.83828029  0.38697100  0.77847542
   0.59877689  0.69042164 -0.01863335
   0.94250302  0.58378057  0.35901889
   0.60415190  0.91675758  0.14683532
   0.87729118  0.86930647  0.24375390
   0.68377132  0.67661839  0.46349556
   0.88047420  0.64944933  0.90049919
   0.67249342  0.90322959  0.61435873
   0.89479726  0.88038337  0.74597712
   0.14981468  0.12011142  0.10567079
   0.37825608  0.19230386  0.28861559
   0.15765970  0.34852419  0.00457010
   0.37843572  0.45171802  0.34027230
   0.51816120  0.39427260  0.19027153
   0.24415000  0.38236780  0.17326563
   0.20670014  0.13826503  0.42419742
  -0.03628176  0.20452779  0.40148498
   0.02647016  0.00512770  0.51554319
   0.44620097  0.26378231  0.83035038
   0.07266811  0.26393311  0.57273664
   0.37799337  0.53322577  0.82833055
   0.50086677  0.39061042  0.68369681
   0.23271024  0.35069462  0.72846232
   0.27222374  0.12486377 -0.07001667
   0.01041375  0.14448710  0.96256776
   0.23011237  0.60072882  0.06598811
   0.35103360  0.70900856  0.28346107
   0.17187831  0.85625286  0.06938295
   0.38921899  0.95083433  0.38131368
   0.46585625  0.91038615  0.19655216
   0.19426322  0.93665798  0.24999464
   0.31310976  0.66274620  0.46450911
   0.08250874  0.53943353  0.40437949
   0.29362455  0.40837842  0.54076673
   0.33164842  0.76750470  0.72577957
   0.06768910  0.75904284  0.49976284
   0.40205277  0.98702688  0.79202374
   0.52225219  0.90192629  0.64737866
   0.26661385  0.88088593  0.58137981
   0.26599599  0.75878813 -0.09291187
   0.02924301  0.68653418  0.94964271
   0.66010511  0.06939526  0.11006897
   0.80417277  0.22301835  0.23301648
   0.60524665  0.29956479  0.01065510
   0.88263999  0.45440425  0.29144375
   0.02215676  0.50519700  0.14093586
   0.75676275  0.47485960  0.11224628
   0.69880643  0.19760092  0.39493026
   0.45088491  0.21262240  0.46661002
   0.69163956  0.06761138  0.55954946
   0.93768809  0.25123242  0.79445608
   0.65302614  0.35083803  0.54179585
   0.91061000  0.50447813  0.85618568
   1.09656416  0.52922679  0.58954541
   0.81359346  0.41609031  0.66776634
   0.76869766  0.10778435  0.91528942
   0.53105271  0.07336150  0.94748731
   0.52505301  0.54272320  0.01705142
   0.94842007  0.73067972  0.29253999
   0.58555998  0.81437522  0.05347089
   0.85202126  0.98160839  0.33563022
   0.95103003  0.96481598  0.16084826
   0.72757002  0.84808315  0.21057691
   0.82212806  0.61863916  0.43177007
   0.55981808  0.63276131  0.38518181
   0.61946731  0.59985368  0.55875724
   0.83403219  0.76295203  0.82100993
   0.69536549  0.83875360  0.49144028
   0.97988437  0.98881069  0.82013572
   1.02106795  0.82916002  0.67611477
   0.77331691  0.98137720  0.70091828
   0.76071867  0.64039144  0.97874023
   0.53315416  0.73001621  0.88461141
   0.75248642  0.76283972  0.63804362
   0.92926664  0.92107962  0.51523797
   0.94999741  0.26732336  0.13041727
   0.77779169  1.13834415  0.18841862
   0.30083736  0.08473363  0.66707691
   0.36441307  0.34007572  0.51475437
   0.55209943  1.30357525 -0.04855859
  -0.21581782  1.52247618  0.05323969
   0.70721972  0.38202925  0.83223476
   0.63751064  0.57987429  0.71473526
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920756    0.113125   -0.175510
    -0.000000    9.587284   -0.063370
    -0.000000    0.000000   14.067936
   Si   O    H 
    32    64    10
Direct configuration=  3485
   0.15609540  0.18576600  0.00015627
   0.35809804  0.11706893  0.38840619
   0.16433153  0.45657375  0.09395920
   0.36875665  0.35384458  0.24489644
   0.07282405  0.16288160  0.48156704
   0.40536743  0.10534894  0.86688077
   0.17522772  0.38676068  0.61641855
   0.39010061  0.39571543  0.76244362
   0.17244822  0.72364699 -0.00423805
   0.39918348  0.61544762  0.37030038
   0.11559892  0.96807262  0.14530519
   0.35233111  0.88237433  0.27600504
   0.16222970  0.60676100  0.49372176
   0.37534082  0.70239892  0.83064257
   0.10653128  0.87440080  0.58022801
   0.36221377  0.93159303  0.68135506
   0.66004925  0.12663540  1.00090632
   0.83096343  0.15833873  0.34506432
   0.59591886  0.42640922  0.09274683
   0.91113268  0.39039623  0.18356072
   0.62920370  0.19997003  0.50643526
   0.91981879  0.12845225  0.87348192
   0.64225030  0.47741861  0.64124079
   0.83853318  0.38545775  0.77876350
   0.59857655  0.69070948 -0.01920129
   0.94373859  0.58346991  0.35807598
   0.60502253  0.91661002  0.14577027
   0.87742527  0.87091270  0.24508629
   0.68255474  0.67703668  0.46310556
   0.88150383  0.64854613  0.90067633
   0.67151562  0.90184208  0.61369771
   0.89452163  0.87917399  0.74667619
   0.14679531  0.11995122  0.10569176
   0.37967393  0.19063201  0.28753905
   0.15614755  0.34831071  0.00536066
   0.37785791  0.45149510  0.34111894
   0.51894076  0.39553817  0.19019617
   0.24506975  0.38028404  0.17318852
   0.20718611  0.13704644  0.42459707
  -0.03630007  0.20415515  0.40332985
   0.02402114  0.00117787  0.51510059
   0.44579711  0.26231019  0.83079058
   0.07354409  0.26441161  0.57428912
   0.37866535  0.53240187  0.82938731
   0.50300198  0.38987967  0.68346147
   0.23018739  0.35098803  0.72914219
   0.27207514  0.12561923 -0.07047305
   0.01160592  0.14414663  0.96232426
   0.23170463  0.60275597  0.06561373
   0.35036924  0.70943504  0.28458587
   0.17312889  0.85588521  0.06881595
   0.38915685  0.95098597  0.38187812
   0.46615914  0.91014478  0.19564421
   0.19730511  0.93715884  0.24855949
   0.31548895  0.66416398  0.46555764
   0.08059107  0.53942048  0.40434090
   0.29122276  0.40695775  0.53940524
   0.33177495  0.76745745  0.72641355
   0.06859031  0.76102342  0.50052086
   0.40118718  0.98697295  0.79245644
   0.52277036  0.90208550  0.64763225
   0.26587630  0.87967181  0.58052916
   0.26788057  0.75921906 -0.09291875
   0.03046194  0.68833786  0.94921402
   0.65882444  0.07021915  0.10991024
   0.80362741  0.22393948  0.23254457
   0.60388430  0.29980211  0.00987639
   0.88186711  0.45570224  0.29133161
   0.02417092  0.50441646  0.14186315
   0.75438199  0.47627859  0.11190750
   0.69677414  0.19659946  0.39640511
   0.44982355  0.21139832  0.46670108
   0.69154531  0.06964414  0.55866615
   0.93863379  0.25094991  0.79477574
   0.65420137  0.34984662  0.54192142
   0.91181051  0.50329409  0.85487583
   1.09662097  0.52767541  0.58963855
   0.81256296  0.41569620  0.66811424
   0.76807365  0.10701550  0.91426627
   0.53044065  0.07434488  0.94776614
   0.52560522  0.54179060  0.01705624
   0.94866689  0.72684300  0.29422147
   0.58723578  0.81450134  0.05337137
   0.85168485  0.98377798  0.33524223
   0.95254766  0.96344394  0.15967235
   0.72620319  0.84586659  0.21009552
   0.82016769  0.61777908  0.43130993
   0.56038462  0.63296161  0.38677219
   0.61878481  0.60132024  0.55952619
   0.83418277  0.76266413  0.82142406
   0.69737472  0.83871144  0.49227476
   0.98260920  0.98906455  0.82004729
   1.02131045  0.82951435  0.67542336
   0.77274317  0.98260702  0.70077327
   0.76070396  0.63823909  0.97826227
   0.53239770  0.73069101  0.88422873
   0.74575157  0.76337357  0.63290907
   0.93132347  0.93869962  0.52007024
   0.95532304  0.27040935  0.12604803
   0.77051560  1.13592150  0.18834072
   0.29835315  0.08552701  0.66747754
   0.36717453  0.33879972  0.51455295
   0.54458269  1.30397523 -0.03829621
  -0.21308995  1.52925261  0.05026336
   0.71488130  0.37651466  0.82536200
   0.64035250  0.58730724  0.71947096
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920647    0.114697   -0.174576
    -0.000000    9.586757   -0.065689
    -0.000000    0.000000   14.067848
   Si   O    H 
    32    64    10
Direct configuration=  3486
   0.15578717  0.18518932 -0.00047905
   0.35682456  0.11656939  0.38862908
   0.16558131  0.45709356  0.09406274
   0.36870961  0.35507978  0.24457781
   0.07047520  0.16383889  0.48120099
   0.40576728  0.10728262  0.86645854
   0.17496298  0.38640411  0.61618607
   0.38818808  0.39652453  0.76265591
   0.17425881  0.72249998 -0.00436444
   0.40053309  0.61542370  0.36968289
   0.11654507  0.96964773  0.14467748
   0.35187833  0.88427524  0.27566692
   0.16258587  0.60814226  0.49363976
   0.37624698  0.70291137  0.82958134
   0.10631449  0.87385754  0.58131148
   0.36332283  0.93300193  0.68160992
   0.65973257  0.12640220  1.00016281
   0.82938808  0.15748850  0.34519820
   0.59435262  0.42697884  0.09253629
   0.91155407  0.39193273  0.18253586
   0.63014786  0.19887013  0.50639282
   0.92002986  0.12794319  0.87296333
   0.64159665  0.47713627  0.64018657
   0.83952171  0.38426114  0.77880405
   0.59833066  0.69063366 -0.01953266
   0.94466059  0.58313625  0.35698597
   0.60636595  0.91650507  0.14514276
   0.87791655  0.87257764  0.24639915
   0.68106068  0.67763400  0.46279679
   0.88315115  0.64893507  0.90061325
   0.67117059  0.90072899  0.61269914
   0.89444785  0.87853189  0.74722502
   0.14510902  0.11998959  0.10595258
   0.38109321  0.18960605  0.28662850
   0.15424123  0.34721980  0.00630952
   0.37694635  0.45099484  0.34171316
   0.51955669  0.39697314  0.19021605
   0.24689374  0.37783971  0.17397962
   0.20769085  0.13595614  0.42486807
  -0.03706989  0.20379370  0.40512376
   0.02138448 -0.00315367  0.51458957
   0.44510207  0.26095683  0.83116470
   0.07521857  0.26522017  0.57602739
   0.37961198  0.53086088  0.83092717
   0.50419946  0.38897119  0.68203420
   0.22745163  0.35125527  0.72917690
   0.27159377  0.12608423 -0.07043030
   0.01224573  0.14324653  0.96246606
   0.23346471  0.60548124  0.06550708
   0.34934302  0.71077257  0.28592595
   0.17462171  0.85576769  0.06819743
   0.39002346  0.95132433  0.38208639
   0.46627474  0.91079973  0.19519252
   0.20021916  0.93844173  0.24699036
   0.31743988  0.66534729  0.46636877
   0.07989043  0.53910731  0.40443360
   0.28969405  0.40581926  0.53791314
   0.33159582  0.76648060  0.72800359
   0.06926294  0.76192450  0.50146053
   0.40080017  0.98595901  0.79274781
   0.52236056  0.90117207  0.64806928
   0.26431248  0.87838543  0.57972742
   0.26964679  0.75832643 -0.09247190
   0.03122477  0.69067751  0.94867272
   0.65774470  0.07130456  0.10948179
   0.80339319  0.22443783  0.23201689
   0.60407416  0.29943788  0.01016809
   0.88156140  0.45685497  0.29141994
   0.02610280  0.50334412  0.14292493
   0.75325526  0.47748285  0.11138929
   0.69464757  0.19641641  0.39785149
   0.44922019  0.21038307  0.46699991
   0.69166773  0.07149524  0.55855627
   0.93938246  0.25062603  0.79520772
   0.65582859  0.34971333  0.54186075
   0.91354986  0.50085908  0.85329300
   1.09680320  0.52727689  0.58951546
   0.81138165  0.41606413  0.66851580
   0.76748070  0.10583226  0.91335360
   0.52989580  0.07496765  0.94799157
   0.52638553  0.54080875  0.01699133
   0.94842648  0.72311370  0.29569256
   0.58850641  0.81499836  0.05321827
   0.85092929  0.98556885  0.33507597
   0.95412738  0.96203674  0.15893189
   0.72388042  0.84408557  0.20935814
   0.81867487  0.61670768  0.43085652
   0.56059386  0.63407419  0.38790549
   0.61898707  0.60266756  0.56005161
   0.83415218  0.76300633  0.82144040
   0.69872381  0.83947607  0.49285985
   0.98487527  0.98959875  0.81956638
   1.02095816  0.83007157  0.67466750
   0.77313349  0.98299759  0.70084516
   0.76073162  0.63615572  0.97812192
   0.53151686  0.73106155  0.88361433
   0.73950363  0.76490443  0.63100979
   0.93463949  0.96971530  0.52009640
   0.96088911  0.27642350  0.12269690
   0.76614107  1.14305370  0.19249708
   0.29421179  0.08223820  0.66702020
   0.36420108  0.33976781  0.51522676
   0.52072028  1.30823539 -0.04507923
  -0.21247606  1.53913648  0.04801786
   0.71472936  0.36791638  0.82416918
   0.64230112  0.58954485  0.72541367
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920783    0.116758   -0.173349
    -0.000000    9.586074   -0.068012
    -0.000000    0.000000   14.067925
   Si   O    H 
    32    64    10
Direct configuration=  3487
   0.15545042  0.18438314 -0.00096889
   0.35559423  0.11617414  0.38850273
   0.16641103  0.45750953  0.09431283
   0.36886930  0.35568288  0.24472475
   0.06870662  0.16453052  0.48126275
   0.40600958  0.10888535  0.86601200
   0.17492036  0.38593655  0.61604330
   0.38708312  0.39664038  0.76335538
   0.17565610  0.72168995 -0.00460892
   0.40165436  0.61553874  0.36968636
   0.11715005  0.97094845  0.14399436
   0.35127902  0.88580637  0.27567828
   0.16293535  0.60910972  0.49341262
   0.37693116  0.70259233  0.82885353
   0.10595908  0.87249439  0.58239626
   0.36484829  0.93423058  0.68151840
   0.65919843  0.12604903  0.99921905
   0.82806739  0.15679482  0.34507146
   0.59320178  0.42787158  0.09234125
   0.91179469  0.39267576  0.18202451
   0.63053181  0.19876688  0.50592265
   0.91963591  0.12760546  0.87259752
   0.64058544  0.47667858  0.63941926
   0.84104176  0.38378553  0.77877639
   0.59783964  0.69060530 -0.02012941
   0.94516399  0.58285497  0.35591855
   0.60812726  0.91590362  0.14473441
   0.87799985  0.87368869  0.24782606
   0.67924709  0.67791530  0.46227996
   0.88432149  0.64927244  0.90002916
   0.67129963  0.90037976  0.61197807
   0.89436078  0.87829908  0.74755546
   0.14403375  0.12099442  0.10613219
   0.38192539  0.18914243  0.28497868
   0.15340186  0.34646856  0.00738758
   0.37523229  0.45109978  0.34209032
   0.52018502  0.39799789  0.19044256
   0.24956894  0.37547294  0.17550518
   0.20721476  0.13521507  0.42568077
  -0.03790110  0.20359474  0.40662225
   0.02061311 -0.00667225  0.51420681
   0.44483681  0.25985050  0.83133717
   0.07668564  0.26455245  0.57742664
   0.38122139  0.52938475  0.83167998
   0.50508954  0.38821549  0.68048594
   0.22550927  0.35211718  0.72895756
   0.27093525  0.12633318 -0.07085689
   0.01228727  0.14225194  0.96298753
   0.23478171  0.60826310  0.06500303
   0.34752993  0.71313887  0.28660877
   0.17489883  0.85587778  0.06745420
   0.39119695  0.95234240  0.38210794
   0.46559318  0.91158116  0.19522420
   0.20358755  0.93982993  0.24517787
   0.31869132  0.66643296  0.46676374
   0.07997658  0.53918497  0.40454661
   0.28833751  0.40433984  0.53665291
   0.33170962  0.76533936  0.72887050
   0.07060720  0.76203152  0.50239033
   0.40073236  0.98452298  0.79277452
   0.52107154  0.90097567  0.64820242
   0.26308632  0.87708684  0.57879374
   0.27128251  0.75762795 -0.09223844
   0.03144794  0.69274923  0.94806827
   0.65661460  0.07248395  0.10871764
   0.80311800  0.22505091  0.23189794
   0.60366984  0.29860909  0.01051664
   0.88192800  0.45754546  0.29185188
   0.02734838  0.50119257  0.14319136
   0.75231601  0.47905672  0.11137555
   0.69244326  0.19551476  0.39876803
   0.44975046  0.20906963  0.46744351
   0.69211610  0.07308637  0.55861275
   0.93947820  0.24996397  0.79579583
   0.65744315  0.34994060  0.54213735
   0.91547130  0.49850228  0.85108304
   1.09687561  0.52673643  0.58954002
   0.80956141  0.41690548  0.66974555
   0.76714028  0.10457437  0.91212305
   0.52827196  0.07525354  0.94824907
   0.52676877  0.54048313  0.01781256
   0.94764604  0.72070313  0.29608312
   0.59022312  0.81580900  0.05289832
   0.85057798  0.98680935  0.33450696
   0.95501913  0.96009952  0.15847585
   0.72189468  0.84175059  0.20927980
   0.81789598  0.61609494  0.43021733
   0.56097160  0.63514752  0.38844192
   0.61961398  0.60336148  0.56053108
   0.83443131  0.76390296  0.82163437
   0.69953291  0.84114799  0.49313324
   0.98616938  0.98953587  0.81927080
   1.02042322  0.83088488  0.67405030
   0.77411468  0.98320537  0.70120054
   0.76054952  0.63423421  0.97811250
   0.53053586  0.73159707  0.88242910
   0.73805121  0.76341328  0.63105285
   0.91087620  0.99142738  0.52096588
   0.96495858  0.28288238  0.11954090
   0.76017085  1.15562303  0.19881156
   0.28697561  0.07584726  0.66714657
   0.35598708  0.33913541  0.51400991
   0.50471362  1.31241453 -0.04794163
  -0.22187741  1.54902844  0.04829302
   0.70495175  0.35928409  0.82536588
   0.64465732  0.58636826  0.72765865
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920882    0.119062   -0.172689
    -0.000000    9.585465   -0.069856
    -0.000000    0.000000   14.067747
   Si   O    H 
    32    64    10
Direct configuration=  3488
   0.15583242  0.18314763 -0.00197280
   0.35538375  0.11572968  0.38864851
   0.16744697  0.45916091  0.09417086
   0.36959458  0.35574982  0.24513186
   0.06735634  0.16463036  0.48132655
   0.40662057  0.10983787  0.86613184
   0.17505469  0.38556128  0.61580611
   0.38605990  0.39667356  0.76380004
   0.17753985  0.72106693 -0.00493413
   0.40236979  0.61568381  0.36983403
   0.11791078  0.97177439  0.14319519
   0.35107336  0.88721869  0.27585546
   0.16354087  0.61053385  0.49329492
   0.37754962  0.70255670  0.82809294
   0.10506421  0.87091190  0.58320875
   0.36676367  0.93578083  0.68143219
   0.65905872  0.12579240  0.99816018
   0.82690523  0.15589560  0.34494732
   0.59201001  0.42905729  0.09234151
   0.91257085  0.39391788  0.18159267
   0.63101208  0.19863837  0.50514300
   0.91891184  0.12665354  0.87239031
   0.63980397  0.47633225  0.63865844
   0.84253067  0.38342768  0.77889645
   0.59714038  0.69010656 -0.02066581
   0.94537938  0.58234721  0.35489444
   0.60928988  0.91496300  0.14486162
   0.87891906  0.87504605  0.24864568
   0.67753485  0.67906210  0.46206549
   0.88586449  0.64985519  0.89948581
   0.67224406  0.89982074  0.61148565
   0.89449486  0.87867625  0.74781603
   0.14360631  0.12345329  0.10640484
   0.38191740  0.18957913  0.28325709
   0.15216583  0.34650320  0.00788532
   0.37392392  0.45166566  0.34183419
   0.52032196  0.39827502  0.19098655
   0.25157027  0.37322440  0.17634093
   0.20659458  0.13466133  0.42695681
  -0.03942620  0.20315111  0.40806261
   0.01901506 -0.00827389  0.51451596
   0.44466745  0.25965557  0.83111259
   0.07790738  0.26351826  0.57807800
   0.38221139  0.52850846  0.83160756
   0.50566376  0.38742404  0.67880667
   0.22454368  0.35334860  0.72813804
   0.27099517  0.12640701 -0.07139066
   0.01270918  0.14051724  0.96344805
   0.23623088  0.60907538  0.06442620
   0.34597712  0.71630357  0.28637266
   0.17414433  0.85589824  0.06689693
   0.39205987  0.95251346  0.38153711
   0.46532083  0.91146404  0.19498838
   0.20669292  0.94109708  0.24390186
   0.31981878  0.66734072  0.46689478
   0.07965054  0.53909227  0.40434441
   0.28632096  0.40326106  0.53563910
   0.33215078  0.76446530  0.72918298
   0.07263336  0.76213363  0.50294668
   0.40128231  0.98312047  0.79304666
   0.52056886  0.90151728  0.64806930
   0.26216820  0.87626246  0.57804209
   0.27285898  0.75685672 -0.09169430
   0.03015066  0.69431190  0.94803621
   0.65584374  0.07452778  0.10842998
   0.80338322  0.22671814  0.23297497
   0.60287161  0.29751040  0.01044464
   0.88172179  0.45810449  0.29204737
   0.02866381  0.49979050  0.14341479
   0.75127117  0.48022093  0.11093187
   0.69034764  0.19436788  0.39944753
   0.45127876  0.20760332  0.46830329
   0.69262991  0.07335283  0.55882273
   0.93978918  0.24983855  0.79626398
   0.65883433  0.34923302  0.54296382
   0.91726779  0.49713337  0.84911080
   1.09757163  0.52746413  0.58992026
   0.80769406  0.41863134  0.67088072
   0.76664885  0.10356638  0.91152980
   0.52685083  0.07511569  0.94848597
   0.52740191  0.53951891  0.01945609
   0.94612084  0.71943691  0.29603598
   0.59104911  0.81700186  0.05274031
   0.85023727  0.98809728  0.33354830
   0.95441657  0.95808559  0.15809150
   0.72031566  0.84022809  0.20929363
   0.81764176  0.61563290  0.42938895
   0.56191926  0.63604053  0.38858678
   0.61986036  0.60344563  0.56124861
   0.83422944  0.76523929  0.82161389
   0.70029398  0.84306349  0.49313427
   0.98713771  0.98862643  0.81910727
   1.02006754  0.83282332  0.67333323
   0.77550393  0.98326033  0.70217974
   0.76035483  0.63196405  0.97812815
   0.52951121  0.73224750  0.88114112
   0.73714665  0.76279526  0.63512242
   0.89608602  1.01192761  0.52080771
   0.96660673  0.28743144  0.11825469
   0.74799726  1.15395544  0.19481755
   0.28161959  0.06925080  0.66749650
   0.35045405  0.33384324  0.51077887
   0.49772500  1.31847251 -0.04559879
  -0.23306192  1.55739128  0.05253221
   0.69812039  0.35423490  0.82672471
   0.64576142  0.57883069  0.72465466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920735    0.120650   -0.171733
    -0.000000    9.585325   -0.071372
    -0.000000    0.000000   14.067630
   Si   O    H 
    32    64    10
Direct configuration=  3489
   0.15665280  0.18215326 -0.00268024
   0.35552642  0.11570408  0.38926239
   0.16844418  0.46104748  0.09409763
   0.37007664  0.35611983  0.24579876
   0.06671591  0.16475536  0.48159430
   0.40748937  0.11039933  0.86602245
   0.17524347  0.38495187  0.61575755
   0.38488236  0.39654128  0.76393448
   0.17877121  0.72074535 -0.00510262
   0.40294887  0.61540433  0.37031116
   0.11861997  0.97218015  0.14230895
   0.35076416  0.88787583  0.27599660
   0.16455585  0.61177469  0.49288779
   0.37794311  0.70269983  0.82810050
   0.10388627  0.86892141  0.58382836
   0.36799756  0.93742630  0.68124407
   0.65902442  0.12587779  0.99693117
   0.82518286  0.15497169  0.34487150
   0.59120715  0.43076150  0.09221176
   0.91298448  0.39545681  0.18117694
   0.63077236  0.19848055  0.50448983
   0.91827187  0.12689675  0.87179843
   0.63960066  0.47586720  0.63770027
   0.84351689  0.38345426  0.77856470
   0.59667607  0.69002553 -0.02124703
   0.94458040  0.58132475  0.35438994
   0.61015011  0.91395171  0.14476720
   0.87965651  0.87647553  0.24952607
   0.67631018  0.67927557  0.46220603
   0.88714940  0.64989737  0.89842039
   0.67329260  0.89975248  0.61112360
   0.89474309  0.87915632  0.74765804
   0.14384454  0.12549955  0.10690862
   0.38152242  0.19038221  0.28129876
   0.15128973  0.34712649  0.00868642
   0.37303305  0.45304884  0.34120695
   0.52032683  0.39796556  0.19120569
   0.25298514  0.37097033  0.17667647
   0.20527788  0.13452380  0.42769834
  -0.04117729  0.20316356  0.40857180
   0.01660319 -0.00843323  0.51495081
   0.44476425  0.26051444  0.83040793
   0.07989221  0.26150170  0.57873768
   0.38250094  0.52771262  0.83140932
   0.50605360  0.38715041  0.67768493
   0.22391180  0.35493423  0.72718538
   0.27072744  0.12656610 -0.07153207
   0.01329881  0.13860337  0.96340567
   0.23861655  0.60875422  0.06417803
   0.34436484  0.71955679  0.28686349
   0.17358658  0.85512471  0.06621179
   0.39248273  0.95227161  0.38102037
   0.46442702  0.91149735  0.19457371
   0.20929247  0.94162943  0.24242879
   0.32079166  0.66793459  0.46673041
   0.07916831  0.53850312  0.40346924
   0.28564048  0.40263775  0.53407241
   0.33272704  0.76292190  0.72904972
   0.07457153  0.76098136  0.50300410
   0.40200869  0.98209051  0.79305342
   0.52081643  0.90213014  0.64785474
   0.26205530  0.87613320  0.57739810
   0.27323514  0.75633012 -0.09147980
   0.02839103  0.69579792  0.94724284
   0.65578415  0.07562728  0.10868371
   0.80314858  0.22733168  0.23385056
   0.60114274  0.29705771  0.01047713
   0.88170099  0.45912763  0.29190890
   0.03046158  0.49956747  0.14388953
   0.75039976  0.48086172  0.11045238
   0.68933229  0.19316136  0.40018143
   0.45248819  0.20556279  0.46856349
   0.69323925  0.07291381  0.55878467
   0.94070802  0.24985142  0.79689963
   0.66086458  0.34875705  0.54378441
   0.91840358  0.49664562  0.84709618
   1.09824438  0.52930864  0.59019569
   0.80499275  0.41968797  0.67147547
   0.76572972  0.10257244  0.91163394
   0.52541810  0.07442108  0.94854583
   0.52716866  0.53914836  0.02123161
   0.94426815  0.71939251  0.29513041
   0.59160250  0.81819904  0.05285223
   0.85013678  0.99004477  0.33282182
   0.95391636  0.95581630  0.15795718
   0.72004287  0.83843844  0.20894676
   0.81751208  0.61511433  0.42866313
   0.56234248  0.63745825  0.38832102
   0.62011128  0.60333233  0.56172926
   0.83443765  0.76471888  0.82155144
   0.70127181  0.84536617  0.49332823
   0.98804565  0.98693046  0.81909362
   1.01973145  0.83564777  0.67324785
   0.77764658  0.98295799  0.70255046
   0.76005713  0.62967757  0.97838960
   0.52785151  0.73206689  0.87960216
   0.74165247  0.76296517  0.64093395
   0.89280041  1.02359305  0.52192231
   0.96535618  0.28950108  0.11752726
   0.74031525  1.15561865  0.18770214
   0.28076624  0.06190336  0.66864690
   0.34905477  0.32671637  0.50507888
   0.49716863  1.32172796 -0.04162885
  -0.24331201  1.56131929  0.05794529
   0.70031647  0.35166652  0.82638394
   0.64233861  0.56955583  0.72096488
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920406    0.122954   -0.170840
    -0.000000    9.585375   -0.072559
    -0.000000    0.000000   14.067532
   Si   O    H 
    32    64    10
Direct configuration=  3490
   0.15675369  0.18134753 -0.00319009
   0.35593323  0.11632597  0.39007585
   0.17000817  0.46267922  0.09384407
   0.37126724  0.35674325  0.24675259
   0.06656134  0.16427493  0.48218692
   0.40827846  0.11033616  0.86644166
   0.17581592  0.38438957  0.61591600
   0.38468717  0.39568571  0.76348589
   0.17954163  0.72051536 -0.00574955
   0.40360859  0.61548197  0.37122539
   0.11886101  0.97224206  0.14152269
   0.35044397  0.88863798  0.27612809
   0.16509595  0.61344274  0.49203946
   0.37881307  0.70297825  0.82811729
   0.10309802  0.86658222  0.58387983
   0.36896655  0.93876891  0.68120521
   0.65916150  0.12611961  0.99585050
   0.82382959  0.15417111  0.34468528
   0.59052436  0.43293538  0.09253245
   0.91311470  0.39692858  0.18102782
   0.63095455  0.19899446  0.50437337
   0.91780249  0.12635157  0.87079659
   0.63902898  0.47519751  0.63691577
   0.84368485  0.38371470  0.77857388
   0.59586496  0.68989639 -0.02169184
   0.94295881  0.58054103  0.35419175
   0.61053673  0.91323186  0.14521985
   0.88034614  0.87780474  0.25028234
   0.67534896  0.67965139  0.46276968
   0.88891883  0.64993262  0.89734547
   0.67483960  0.90045202  0.61075792
   0.89540220  0.87982406  0.74765191
   0.14459213  0.12711584  0.10714364
   0.38066870  0.19067414  0.27958069
   0.15099259  0.34741379  0.00924969
   0.37257406  0.45476655  0.34067231
   0.52074136  0.39703289  0.19161669
   0.25357384  0.37041859  0.17637846
   0.20344473  0.13515997  0.42876128
  -0.04419192  0.20386078  0.40805534
   0.01352134 -0.00687081  0.51568985
   0.44474957  0.26183492  0.82984846
   0.08128360  0.25805523  0.57927219
   0.38212250  0.52751493  0.83135596
   0.50535356  0.38715949  0.67716088
   0.22324425  0.35654010  0.72571977
   0.27045772  0.12781333 -0.07129891
   0.01351027  0.13643283  0.96334580
   0.24059989  0.60715502  0.06444414
   0.34225087  0.72291819  0.28750034
   0.17280268  0.85490341  0.06614036
   0.39217562  0.95201975  0.38028250
   0.46338199  0.91153316  0.19442225
   0.21033653  0.94195892  0.24061264
   0.32121352  0.66758699  0.46632717
   0.07903245  0.53686342  0.40273704
   0.28551338  0.40149531  0.53267117
   0.33387845  0.76139783  0.72949645
   0.07613811  0.75913417  0.50315092
   0.40232447  0.98136899  0.79342982
   0.52028289  0.90287975  0.64789732
   0.26168015  0.87694811  0.57695319
   0.27376635  0.75557818 -0.09116015
   0.02653487  0.69731188  0.94689395
   0.65617324  0.07566630  0.10880708
   0.80243871  0.22743951  0.23483556
   0.59968451  0.29625551  0.01000112
   0.88200653  0.45913022  0.29129497
   0.03196706  0.50065937  0.14420292
   0.75011533  0.48068527  0.11032586
   0.68874156  0.19213119  0.40101674
   0.45318273  0.20336128  0.46799624
   0.69385475  0.07223759  0.55915056
   0.94133137  0.24972246  0.79723215
   0.66278463  0.34851770  0.54474993
   0.92032645  0.49714666  0.84592139
   1.09867297  0.53182102  0.58999089
   0.80291096  0.42016316  0.67238598
   0.76475338  0.10244599  0.91185719
   0.52348249  0.07336294  0.94841849
   0.52663031  0.53906425  0.02245486
   0.94267486  0.72100776  0.29379479
   0.59234126  0.81918544  0.05235499
   0.84956629  0.99180520  0.33252654
   0.95376510  0.95310019  0.15820182
   0.72027122  0.83695504  0.20857113
   0.81811622  0.61478046  0.42745507
   0.56264946  0.63872588  0.38744407
   0.62011917  0.60325016  0.56196777
   0.83377673  0.76394125  0.82131769
   0.70221092  0.84697707  0.49317471
   0.98842845  0.98567704  0.81965632
   1.01907516  0.83797728  0.67367024
   0.77950548  0.98191325  0.70292983
   0.75983235  0.62761221  0.97917485
   0.52717398  0.73167750  0.87798343
   0.74056468  0.76259067  0.65073874
   0.90356760  1.02947602  0.52491045
   0.96320638  0.28268582  0.11691801
   0.73881343  1.16596176  0.18498035
   0.28185131  0.05721160  0.66956463
   0.34771424  0.32253469  0.50031990
   0.51144834  1.31618513 -0.03592022
  -0.24968511  1.56214736  0.06256625
   0.70570351  0.35128481  0.82551712
   0.63785922  0.56431452  0.72011573
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920409    0.124755   -0.169588
    -0.000000    9.585512   -0.073492
    -0.000000    0.000000   14.067151
   Si   O    H 
    32    64    10
Direct configuration=  3491
   0.15703013  0.18084598 -0.00350873
   0.35583314  0.11736421  0.39120000
   0.17157335  0.46430613  0.09357635
   0.37291007  0.35703782  0.24750469
   0.06703344  0.16401350  0.48320884
   0.40880741  0.10962731  0.86682971
   0.17658858  0.38408881  0.61579685
   0.38514695  0.39424180  0.76288237
   0.18008396  0.72068392 -0.00617977
   0.40446047  0.61597267  0.37233203
   0.11874530  0.97252368  0.14025430
   0.35022799  0.88865501  0.27619048
   0.16533508  0.61477181  0.49106242
   0.37947457  0.70295544  0.82832006
   0.10224829  0.86482860  0.58356849
   0.36962373  0.93885886  0.68104771
   0.65919629  0.12588351  0.99443138
   0.82323137  0.15404829  0.34452770
   0.58953570  0.43452097  0.09314019
   0.91297157  0.39774358  0.18091680
   0.63083490  0.19956160  0.50440148
   0.91761659  0.12608881  0.86985191
   0.63809123  0.47414568  0.63586909
   0.84353753  0.38455457  0.77878960
   0.59472970  0.68999938 -0.02230787
   0.94088984  0.58053876  0.35442166
   0.61136625  0.91276308  0.14553348
   0.88113789  0.87793068  0.25153213
   0.67476458  0.67985857  0.46334608
   0.88986834  0.65003479  0.89648096
   0.67608483  0.90127480  0.61038594
   0.89631455  0.88055642  0.74775976
   0.14583342  0.12815468  0.10715319
   0.37962780  0.19087894  0.27842607
   0.15080636  0.34860348  0.00985579
   0.37217315  0.45565176  0.34029953
   0.52125342  0.39612573  0.19217159
   0.25402256  0.37055271  0.17571450
   0.20208263  0.13566827  0.42954197
  -0.04716079  0.20452164  0.40697326
   0.00995159 -0.00383876  0.51642532
   0.44507117  0.26349634  0.82930183
   0.08209786  0.25508721  0.57949708
   0.38136557  0.52729980  0.83132553
   0.50446171  0.38696495  0.67682173
   0.22312706  0.35818675  0.72421856
   0.27046542  0.12844080 -0.07098048
   0.01330215  0.13429261  0.96286598
   0.24344994  0.60462850  0.06519067
   0.34018038  0.72566794  0.28885029
   0.17222116  0.85458798  0.06599712
   0.39146887  0.95083501  0.37983067
   0.46272235  0.91259591  0.19360956
   0.21053816  0.94337134  0.23833499
   0.32084187  0.66678623  0.46571213
   0.07993488  0.53565526  0.40244650
   0.28676980  0.39917271  0.53165089
   0.33516817  0.76004098  0.72964891
   0.07683402  0.75727979  0.50276536
   0.40279065  0.98122758  0.79451770
   0.52055526  0.90388256  0.64796697
   0.26124509  0.87848708  0.57644844
   0.27468926  0.75508010 -0.09086850
   0.02534167  0.69852841  0.94715557
   0.65641155  0.07496749  0.10857838
   0.80132852  0.22765680  0.23604900
   0.59812292  0.29584031  0.00932339
   0.88208027  0.45751910  0.29036777
   0.03415648  0.50241276  0.14516347
   0.74986904  0.47978044  0.11104971
   0.68839486  0.19053374  0.40100410
   0.45287380  0.20146677  0.46736051
   0.69460985  0.07141973  0.55962053
   0.94259430  0.24915442  0.79675801
   0.66445947  0.34835094  0.54573114
   0.92243953  0.49759138  0.84580692
   1.10010257  0.53417490  0.58930483
   0.80108210  0.42116023  0.67298467
   0.76378620  0.10272665  0.91190244
   0.52103580  0.07260326  0.94776485
   0.52622600  0.54030760  0.02298019
   0.94159138  0.72273773  0.29193908
   0.59376811  0.82054677  0.05116459
   0.84897881  0.99332923  0.33241584
   0.95410314  0.95028713  0.15859931
   0.72128498  0.83582600  0.20833219
   0.81870646  0.61500386  0.42683400
   0.56323392  0.63925791  0.38631994
   0.62017218  0.60338402  0.56205177
   0.83298707  0.76280387  0.82124235
   0.70261453  0.84758251  0.49246983
   0.98851716  0.98444113  0.82043191
   1.01761156  0.83928356  0.67461940
   0.78109729  0.98065696  0.70322524
   0.75938908  0.62547329  0.97970612
   0.52696005  0.73119786  0.87611670
   0.73932276  0.76650530  0.65798059
   0.92160975  1.02672462  0.52906924
   0.95657918  0.27803117  0.11723251
   0.74117508  1.17930869  0.18607108
   0.27832922  0.06095253  0.66686048
   0.34067228  0.32146106  0.49606645
   0.53352730  1.30992686 -0.02504869
  -0.25306573  1.56106990  0.06381579
   0.71403131  0.35253325  0.82572606
   0.63194637  0.56620865  0.72270019
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920516    0.126568   -0.167925
    -0.000000    9.585534   -0.073776
    -0.000000    0.000000   14.066697
   Si   O    H 
    32    64    10
Direct configuration=  3492
   0.15735758  0.18034785 -0.00338038
   0.35652143  0.11815355  0.39209626
   0.17282576  0.46534547  0.09373519
   0.37491531  0.35756240  0.24847847
   0.06774868  0.16382875  0.48357678
   0.40982729  0.10854509  0.86699792
   0.17682718  0.38397277  0.61613181
   0.38619316  0.39247793  0.76150209
   0.18020667  0.72186174 -0.00655556
   0.40537576  0.61664671  0.37367429
   0.11894621  0.97246241  0.13926606
   0.35014544  0.88848372  0.27584175
   0.16538968  0.61586662  0.49002392
   0.38022947  0.70223501  0.82896499
   0.10182703  0.86352639  0.58303715
   0.36969119  0.93834103  0.68107525
   0.65909158  0.12526591  0.99319217
   0.82239995  0.15348852  0.34416717
   0.58872898  0.43585295  0.09380129
   0.91284341  0.39849381  0.18102257
   0.63040391  0.20040157  0.50450106
   0.91800824  0.12550895  0.86874116
   0.63765825  0.47314015  0.63477849
   0.84346264  0.38534830  0.77896623
   0.59298050  0.69059645 -0.02246965
   0.93876201  0.58096742  0.35449728
   0.61227092  0.91223123  0.14579930
   0.88174237  0.87845568  0.25261072
   0.67440723  0.67946582  0.46369171
   0.89078044  0.64984459  0.89607821
   0.67713033  0.90135151  0.61021214
   0.89806193  0.88246359  0.74790049
   0.14747921  0.12889313  0.10613636
   0.37791742  0.19079450  0.27827628
   0.15190208  0.35017698  0.01043770
   0.37174941  0.45694797  0.34032071
   0.52109013  0.39459161  0.19257377
   0.25443749  0.36976773  0.17498977
   0.20062163  0.13667267  0.42990464
  -0.04990525  0.20565195  0.40566878
   0.00757308 -0.00048255  0.51752580
   0.44565771  0.26465442  0.82871167
   0.08242198  0.25180360  0.57976941
   0.38002653  0.52757198  0.83099438
   0.50233371  0.38692066  0.67664404
   0.22314814  0.35939134  0.72276779
   0.27008526  0.12850918 -0.07130659
   0.01226428  0.13231055  0.96252436
   0.24662785  0.60213606  0.06613815
   0.33834600  0.72742304  0.29047123
   0.17145712  0.85441731  0.06568380
   0.39060328  0.95055732  0.37944945
   0.46152071  0.91463240  0.19305247
   0.20976441  0.94537374  0.23658405
   0.32101052  0.66577059  0.46499354
   0.08025616  0.53565457  0.40234468
   0.28874547  0.39637016  0.53064223
   0.33665744  0.75936884  0.72933637
   0.07597461  0.75574550  0.50154123
   0.40302242  0.98172736  0.79572675
   0.52115730  0.90539261  0.64801124
   0.26058593  0.88067421  0.57635986
   0.27546579  0.75373289 -0.09073820
   0.02363637  0.70084881  0.94720064
   0.65689085  0.07399612  0.10812702
   0.79934722  0.22792581  0.23745566
   0.59941911  0.29476653  0.01069349
   0.88193764  0.45536571  0.28936827
   0.03650860  0.50382513  0.14606328
   0.75006265  0.47825002  0.11299146
   0.68794496  0.18914375  0.40013606
   0.45279670  0.19999106  0.46706797
   0.69535837  0.07165535  0.56007082
   0.94406573  0.24899239  0.79608608
   0.66607032  0.34885142  0.54657203
   0.92490578  0.49846808  0.84597521
   1.10103683  0.53638739  0.58880761
   0.80035452  0.42164926  0.67320440
   0.76301376  0.10349540  0.91189092
   0.51845557  0.07201883  0.94742117
   0.52575387  0.54138613  0.02239695
   0.94026161  0.72529483  0.28984168
   0.59478561  0.82136413  0.04976044
   0.84875180  0.99421202  0.33245193
   0.95401639  0.94784360  0.15942664
   0.72323450  0.83548973  0.20849717
   0.81862160  0.61486540  0.42671514
   0.56397045  0.63917791  0.38511344
   0.62001669  0.60360179  0.56196720
   0.83218056  0.76188544  0.82138091
   0.70200268  0.84714089  0.49201913
   0.98816951  0.98381498  0.82074380
   1.01494162  0.84081393  0.67538221
   0.78272503  0.97951433  0.70329868
   0.75807841  0.62466580  0.97979509
   0.52723960  0.73126599  0.87475496
   0.73822279  0.77299235  0.66310002
   0.92124426  1.02204466  0.53657482
   0.94554376  0.27499550  0.11942451
   0.74583400  1.19170377  0.18918405
   0.27427881  0.07250808  0.66607308
   0.33648159  0.31953644  0.49491019
   0.50717117  1.31527421 -0.04275607
  -0.25007644  1.56269788  0.05934665
   0.71781723  0.34762875  0.82724727
   0.62771723  0.57181894  0.72898759
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920810    0.128834   -0.166648
    -0.000000    9.585645   -0.073863
    -0.000000    0.000000   14.065964
   Si   O    H 
    32    64    10
Direct configuration=  3493
   0.15809254  0.18008043 -0.00321680
   0.35685350  0.11920505  0.39299736
   0.17419936  0.46531094  0.09446118
   0.37643843  0.35780214  0.24912912
   0.06837384  0.16413750  0.48431430
   0.41053015  0.10785850  0.86712372
   0.17671449  0.38389662  0.61609648
   0.38744697  0.39066194  0.76037375
   0.18057045  0.72261905 -0.00683647
   0.40586914  0.61710671  0.37468953
   0.11972681  0.97201570  0.13830291
   0.34999399  0.88844964  0.27559809
   0.16538764  0.61667531  0.48955662
   0.38091581  0.70155193  0.82912503
   0.10072936  0.86255000  0.58235600
   0.36946565  0.93799720  0.68114319
   0.65820773  0.12427431  0.99253854
   0.82165319  0.15324617  0.34410176
   0.58820004  0.43654664  0.09465486
   0.91339990  0.39917903  0.18121417
   0.62941554  0.20104598  0.50468515
   0.91830082  0.12472460  0.86763887
   0.63657416  0.47237074  0.63408244
   0.84300998  0.38613069  0.77935280
   0.59136923  0.69143558 -0.02244312
   0.93731800  0.58189638  0.35496423
   0.61329805  0.91237814  0.14575790
   0.88125552  0.87884210  0.25339724
   0.67434101  0.67909751  0.46432046
   0.89160185  0.64880600  0.89565714
   0.67793505  0.90148912  0.60985467
   0.89942747  0.88415006  0.74821845
   0.14945280  0.12964423  0.10514163
   0.37678607  0.19054392  0.27790640
   0.15235850  0.35157467  0.01086329
   0.37143836  0.45840222  0.34040321
   0.52099869  0.39353410  0.19343604
   0.25538916  0.36891777  0.17456514
   0.19932052  0.13777324  0.43024977
  -0.05278581  0.20598033  0.40430006
   0.00740593  0.00269534  0.51847913
   0.44576819  0.26526611  0.82779284
   0.08219842  0.24942576  0.57995062
   0.37871469  0.52824211  0.83045711
   0.49877187  0.38646282  0.67658358
   0.22376276  0.36068775  0.72170028
   0.26992866  0.12837708 -0.07182002
   0.01088523  0.13140620  0.96245882
   0.25072737  0.60071343  0.06661109
   0.33714467  0.72775000  0.29158833
   0.17069652  0.85381515  0.06514525
   0.38954017  0.95076561  0.37967500
   0.46058829  0.91699079  0.19217200
   0.20844617  0.94710435  0.23511981
   0.32069582  0.66538938  0.46494169
   0.08037836  0.53599252  0.40219964
   0.29075510  0.39405042  0.52988534
   0.33743668  0.75892018  0.72916849
   0.07522669  0.75431945  0.50036096
   0.40288841  0.98204536  0.79674774
   0.52184120  0.90608409  0.64709907
   0.26044921  0.88314713  0.57628168
   0.27585516  0.75198461 -0.09014786
   0.02187207  0.70249267  0.94735244
   0.65675480  0.07341510  0.10719782
   0.79783943  0.22848376  0.23942593
   0.59961997  0.29470770  0.01219039
   0.88192822  0.45320652  0.28764370
   0.03775041  0.50487850  0.14702136
   0.75045419  0.47631104  0.11549033
   0.68790392  0.18873898  0.39944445
   0.45231599  0.19870519  0.46717586
   0.69659957  0.07136083  0.56054309
   0.94610360  0.24908454  0.79587980
   0.66739641  0.34973867  0.54681008
   0.92806038  0.49947580  0.84594617
   1.10217401  0.53757705  0.58834755
   0.79979539  0.42182441  0.67350662
   0.76273884  0.10429534  0.91156297
   0.51627405  0.07230989  0.94742575
   0.52447509  0.54333505  0.02189626
   0.93847321  0.72842947  0.28816670
   0.59623175  0.82182596  0.04821650
   0.84841940  0.99423865  0.33247745
   0.95431424  0.94569008  0.16026221
   0.72549990  0.83533400  0.20907684
   0.81898406  0.61331777  0.42719008
   0.56439365  0.63832562  0.38397520
   0.62013504  0.60409247  0.56167860
   0.83109003  0.76107485  0.82126321
   0.70165539  0.84715622  0.49188571
   0.98765426  0.98362951  0.82102863
   1.01270960  0.84214522  0.67590012
   0.78481177  0.97783913  0.70349828
   0.75713585  0.62442116  0.97949439
   0.52785148  0.73149551  0.87342935
   0.73791082  0.77890932  0.66451177
   0.90229338  1.01905142  0.54750418
   0.93420406  0.26937283  0.12155647
   0.74052859  1.19122060  0.18526841
   0.27604564  0.08013259  0.66428066
   0.33420432  0.31860172  0.49414412
   0.49280483  1.31994281 -0.05344685
  -0.24306294  1.56563691  0.05442063
   0.72432882  0.34367902  0.83023222
   0.62040989  0.57448619  0.73123836
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920846    0.130875   -0.165630
    -0.000000    9.585759   -0.073883
    -0.000000    0.000000   14.065226
   Si   O    H 
    32    64    10
Direct configuration=  3494
   0.15875586  0.17933936 -0.00298777
   0.35665164  0.11917311  0.39314819
   0.17531421  0.46576070  0.09526456
   0.37703015  0.35783328  0.24953974
   0.06852549  0.16531987  0.48497604
   0.41077947  0.10762509  0.86740977
   0.17598779  0.38354155  0.61523849
   0.38834624  0.38939636  0.75925023
   0.18078893  0.72274135 -0.00695913
   0.40583797  0.61753052  0.37540071
   0.12036881  0.97147841  0.13767158
   0.34987221  0.88887509  0.27490942
   0.16500196  0.61689915  0.48907867
   0.38105182  0.70037742  0.82968784
   0.10004086  0.86184105  0.58161776
   0.36966076  0.93727825  0.68091429
   0.65675783  0.12392372  0.99249772
   0.82089880  0.15339125  0.34420720
   0.58777997  0.43732812  0.09525770
   0.91320170  0.40020178  0.18120234
   0.62747509  0.20220890  0.50477421
   0.91866837  0.12402201  0.86681996
   0.63580049  0.47149888  0.63368730
   0.84198644  0.38671185  0.77960651
   0.58978596  0.69244594 -0.02253303
   0.93629444  0.58243842  0.35482838
   0.61449297  0.91233804  0.14573969
   0.88066185  0.87939571  0.25423717
   0.67491317  0.67871345  0.46509700
   0.89183653  0.64769504  0.89536687
   0.67870102  0.90174085  0.60937944
   0.90033719  0.88558687  0.74911032
   0.15111270  0.13034933  0.10463144
   0.37486260  0.19029150  0.27732030
   0.15199089  0.35242848  0.01110081
   0.37094113  0.46011345  0.34078682
   0.52081395  0.39322232  0.19428812
   0.25586353  0.36848932  0.17440957
   0.19870058  0.13785676  0.43024233
  -0.05522005  0.20675220  0.40331364
   0.00623253  0.00509711  0.51965144
   0.44474761  0.26503075  0.82732424
   0.08239241  0.24669192  0.58039915
   0.37751981  0.52841650  0.83003990
   0.49559823  0.38722887  0.67633422
   0.22486307  0.36192483  0.72042294
   0.27012892  0.12779050 -0.07297560
   0.00985983  0.13064390  0.96213274
   0.25426055  0.59994246  0.06629822
   0.33668196  0.72663195  0.29275651
   0.17045668  0.85340367  0.06402429
   0.38899440  0.95116559  0.37958753
   0.45921802  0.91935260  0.19182042
   0.20745788  0.94947696  0.23341076
   0.31992243  0.66453939  0.46461042
   0.08120706  0.53663583  0.40228877
   0.29252856  0.39136693  0.52860792
   0.33843057  0.75887638  0.72898060
   0.07511053  0.75335686  0.49915641
   0.40245703  0.98318345  0.79801186
   0.52183612  0.90692846  0.64565909
   0.26158161  0.88540755  0.57587723
   0.27661338  0.75026988 -0.08974235
   0.02080002  0.70328693  0.94826908
   0.65747995  0.07329410  0.10542390
   0.79611581  0.22959010  0.24093794
   0.59969164  0.29504976  0.01333822
   0.88234899  0.45073773  0.28584392
   0.03829386  0.50509691  0.14843232
   0.75127950  0.47477519  0.11772156
   0.68663873  0.18907139  0.39829559
   0.45210436  0.19745464  0.46720865
   0.69849931  0.07233130  0.56077466
   0.94739030  0.25009256  0.79569666
   0.66838907  0.35082168  0.54698881
   0.93105010  0.50092986  0.84596759
   1.10300822  0.53781961  0.58833891
   0.79966601  0.42234679  0.67392367
   0.76271289  0.10413657  0.91080511
   0.51528541  0.07197699  0.94747521
   0.52327500  0.54575064  0.02161266
   0.93640490  0.73095247  0.28678530
   0.59721938  0.82138353  0.04681960
   0.84792599  0.99330175  0.33271599
   0.95454333  0.94385810  0.16162929
   0.72768744  0.83625281  0.20972621
   0.81871506  0.61252410  0.42791724
   0.56558351  0.63808562  0.38302810
   0.61992020  0.60458227  0.56153692
   0.83031963  0.76003490  0.82138864
   0.70102909  0.84678317  0.49135884
   0.98736456  0.98354570  0.82131452
   1.01081959  0.84293315  0.67660680
   0.78623589  0.97700522  0.70328222
   0.75686367  0.62403509  0.97860534
   0.52897170  0.73206797  0.87286388
   0.73785058  0.78325094  0.66272400
   0.89361971  1.01542077  0.55345693
   0.92423254  0.26917686  0.12160595
   0.73865726  1.18755186  0.18500979
   0.28391726  0.08143593  0.66403277
   0.33639174  0.31473541  0.49329536
   0.48782222  1.32470986 -0.05843980
  -0.23116839  1.56480770  0.05049150
   0.72779775  0.34118526  0.83567873
   0.61696408  0.57089333  0.72602602
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920622    0.133096   -0.164626
    -0.000000    9.586022   -0.073336
    -0.000000    0.000000   14.064736
   Si   O    H 
    32    64    10
Direct configuration=  3495
   0.15880568  0.17904394 -0.00261459
   0.35673502  0.11851582  0.39282502
   0.17542562  0.46597491  0.09578290
   0.37762354  0.35754623  0.24970210
   0.06843412  0.16631803  0.48574939
   0.41048180  0.10751291  0.86779361
   0.17469882  0.38359323  0.61419141
   0.38876649  0.38876005  0.75846374
   0.18022063  0.72295381 -0.00670048
   0.40613022  0.61769384  0.37587067
   0.12052027  0.97123494  0.13777097
   0.34942950  0.88883676  0.27456953
   0.16467807  0.61659695  0.48801254
   0.38189732  0.69902044  0.83015957
   0.09895172  0.86117107  0.58034211
   0.36993367  0.93696527  0.68114756
   0.65548893  0.12352374  0.99247077
   0.82038861  0.15356912  0.34450951
   0.58757030  0.43767790  0.09564152
   0.91297012  0.40150467  0.18107617
   0.62535616  0.20302300  0.50459785
   0.91906094  0.12295546  0.86621225
   0.63561573  0.47081855  0.63345628
   0.84076128  0.38654316  0.77968523
   0.58814856  0.69377639 -0.02249353
   0.93582648  0.58295353  0.35486041
   0.61479684  0.91216956  0.14596427
   0.87990308  0.87971258  0.25469518
   0.67544556  0.67780901  0.46602636
   0.89115931  0.64659346  0.89506102
   0.67925155  0.90159791  0.60844576
   0.90105662  0.88648282  0.75033899
   0.15345757  0.13142437  0.10437477
   0.37318004  0.18931907  0.27765181
   0.15212659  0.35316698  0.01102830
   0.37039953  0.46109482  0.34161804
   0.52030080  0.39327404  0.19534810
   0.25642601  0.36850925  0.17500332
   0.19890641  0.13669795  0.43007618
  -0.05712088  0.20860445  0.40292137
   0.00485533  0.00770524  0.52111669
   0.44454217  0.26501741  0.82731360
   0.08329543  0.24456941  0.58029449
   0.37697131  0.52793924  0.82954705
   0.49243133  0.38734884  0.67574916
   0.22661197  0.36347277  0.71977662
   0.27077241  0.12745682 -0.07475528
   0.00857961  0.12996673  0.96150127
   0.25727154  0.60047467  0.06516115
   0.33600473  0.72460517  0.29375247
   0.17018479  0.85302590  0.06316975
   0.38884843  0.95160896  0.37946176
   0.45789447  0.92152370  0.19112153
   0.20691202  0.95186647  0.23224593
   0.31945024  0.66339292  0.46388199
   0.08130584  0.53754956  0.40245700
   0.29305628  0.38847226  0.52766659
   0.33910318  0.75923237  0.72829802
   0.07379644  0.75304809  0.49809433
   0.40142116  0.98358647  0.79875626
   0.52204644  0.90711988  0.64393462
   0.26270418  0.88668486  0.57521084
   0.27736482  0.74894078 -0.08911786
   0.02120038  0.70441468  0.94923357
   0.65877329  0.07257754  0.10368702
   0.79441348  0.23107743  0.24199501
   0.59949450  0.29528415  0.01453173
   0.88297128  0.44949440  0.28407241
   0.03810756  0.50523182  0.15015549
   0.75187129  0.47370203  0.12037611
   0.68313527  0.18881728  0.39706489
   0.45185052  0.19706142  0.46724449
   0.69948948  0.07283205  0.56065228
   0.94816724  0.25080900  0.79501064
   0.66895097  0.35093411  0.54716295
   0.93351284  0.50286587  0.84594208
   1.10467667  0.53752035  0.58913891
   0.79911647  0.42317838  0.67429661
   0.76284257  0.10412145  0.90971897
   0.51514086  0.07135340  0.94773763
   0.52254555  0.54823090  0.02181477
   0.93539180  0.73295406  0.28566752
   0.59842290  0.82096774  0.04624867
   0.84822716  0.99266114  0.33279843
   0.95522879  0.94161279  0.16328956
   0.72920619  0.83667752  0.21047611
   0.81824418  0.61168844  0.42847332
   0.56733510  0.63814575  0.38184065
   0.61980771  0.60433844  0.56064298
   0.82951539  0.75860687  0.82127286
   0.70085094  0.84628283  0.49095089
   0.98661323  0.98325488  0.82165048
   1.00989602  0.84300741  0.67648068
   0.78735422  0.97679536  0.70324723
   0.75713732  0.62406333  0.97831249
   0.53103705  0.73184648  0.87281026
   0.73822056  0.78141323  0.66014909
   0.89654861  1.01124853  0.55440696
   0.91753157  0.27126556  0.12106232
   0.74210456  1.18374237  0.19028196
   0.29369767  0.08200986  0.66926935
   0.34474797  0.30664576  0.49005500
   0.49164272  1.32624636 -0.05753379
  -0.22243443  1.56303544  0.04656962
   0.73114301  0.34098236  0.84112960
   0.61449797  0.56364377  0.71660707
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920873    0.136040   -0.163743
    -0.000000    9.586683   -0.072803
    -0.000000    0.000000   14.064818
   Si   O    H 
    32    64    10
Direct configuration=  3496
   0.15925982  0.17899106 -0.00278211
   0.35679448  0.11850465  0.39267035
   0.17613054  0.46585997  0.09618078
   0.37830050  0.35751272  0.25014900
   0.06753195  0.16724975  0.48617039
   0.41012564  0.10739767  0.86829019
   0.17323868  0.38406421  0.61297135
   0.38817254  0.38872408  0.75761560
   0.17934986  0.72288037 -0.00624915
   0.40667881  0.61814225  0.37593375
   0.12027789  0.97096614  0.13802422
   0.34880982  0.88850526  0.27410627
   0.16459655  0.61566945  0.48719773
   0.38310502  0.69825074  0.83040190
   0.09807574  0.86109161  0.57923482
   0.36986380  0.93635593  0.68198134
   0.65423798  0.12357214  0.99227291
   0.81908665  0.15404707  0.34465596
   0.58783858  0.43832478  0.09610187
   0.91287982  0.40214333  0.18063894
   0.62342144  0.20337920  0.50450204
   0.91902288  0.12191644  0.86532125
   0.63546505  0.47002024  0.63315631
   0.83996003  0.38577069  0.78008732
   0.58682381  0.69406255 -0.02298586
   0.93488231  0.58379995  0.35442175
   0.61491382  0.91173742  0.14620536
   0.87879548  0.88000866  0.25495985
   0.67639406  0.67731230  0.46643378
   0.89060719  0.64553436  0.89447633
   0.67973378  0.90129126  0.60806141
   0.90161559  0.88685812  0.75136112
   0.15560898  0.13157151  0.10421776
   0.37109767  0.18903802  0.27892909
   0.15266462  0.35329055  0.01024456
   0.36996491  0.46194862  0.34232028
   0.51965866  0.39358748  0.19620938
   0.25686982  0.36873991  0.17584701
   0.19923306  0.13513312  0.42984604
  -0.05884079  0.21093191  0.40359253
   0.00405183  0.00977059  0.52281102
   0.44430173  0.26490494  0.82752192
   0.08320055  0.24292527  0.58080405
   0.37693356  0.52738074  0.82849662
   0.48926148  0.38724583  0.67479649
   0.22826067  0.36529218  0.71869724
   0.27083187  0.12766839 -0.07578259
   0.00739681  0.12994688  0.96082750
   0.25992328  0.60051971  0.06366987
   0.33519028  0.72270655  0.29455158
   0.17006917  0.85263972  0.06294937
   0.38815592  0.95243311  0.38003712
   0.45725001  0.92332681  0.19019010
   0.20560197  0.95425326  0.23127368
   0.31955397  0.66217339  0.46379904
   0.08158650  0.53797907  0.40285874
   0.29373469  0.38592007  0.52660104
   0.33952468  0.75951276  0.72730282
   0.07148722  0.75385600  0.49762663
   0.39964209  0.98386763  0.79914926
   0.52214945  0.90696315  0.64269280
   0.26367362  0.88879604  0.57486787
   0.27888546  0.74729888 -0.08866577
   0.02205524  0.70508110  0.95005351
   0.65962256  0.07133812  0.10221979
   0.79256584  0.23220197  0.24283851
   0.59884134  0.29680881  0.01547831
   0.88335151  0.44849133  0.28279485
   0.03703395  0.50539855  0.15211272
   0.75222728  0.47217609  0.12260324
   0.68053685  0.18826452  0.39565870
   0.45107540  0.19634990  0.46766447
   0.70023273  0.07330021  0.56052703
   0.94835806  0.25155142  0.79443645
   0.66933192  0.35133361  0.54679849
   0.93609337  0.50377407  0.84539885
   1.10623988  0.53759991  0.58974542
   0.79823833  0.42435583  0.67501470
   0.76318513  0.10409265  0.90900923
   0.51489908  0.07048708  0.94812086
   0.52201446  0.55104220  0.02169657
   0.93585674  0.73414168  0.28527710
   0.60004424  0.82016747  0.04616696
   0.84882878  0.99154166  0.33307742
   0.95672780  0.93887821  0.16512519
   0.73073711  0.83670292  0.21130508
   0.81822054  0.61160632  0.42852051
   0.56875850  0.63834393  0.38081431
   0.62011035  0.60450993  0.55939123
   0.82866248  0.75782781  0.82014643
   0.70104109  0.84552307  0.49059826
   0.98544386  0.98296267  0.82218434
   1.01081085  0.84275038  0.67675643
   0.78816615  0.97713059  0.70288792
   0.75819397  0.62485487  0.97766344
   0.53268405  0.73160455  0.87297020
   0.73772388  0.77385002  0.65564976
   0.90898094  1.00736262  0.55134488
   0.91394409  0.27618067  0.11632448
   0.74495493  1.17742522  0.19635249
   0.30448189  0.07482926  0.67471274
   0.35008337  0.30691474  0.48854432
   0.50425598  1.32162476 -0.05274240
  -0.21612407  1.55977137  0.04429359
   0.73371361  0.34514043  0.84582697
   0.61766081  0.56263107  0.70819780
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921369    0.138717   -0.162798
    -0.000000    9.587523   -0.072034
    -0.000000    0.000000   14.065009
   Si   O    H 
    32    64    10
Direct configuration=  3497
   0.15932588  0.17940703 -0.00310525
   0.35580791  0.11802351  0.39241821
   0.17676968  0.46503144  0.09690282
   0.37896583  0.35715700  0.25035790
   0.06595755  0.16810268  0.48630727
   0.40909482  0.10677737  0.86848713
   0.17265147  0.38402497  0.61146512
   0.38793811  0.38907540  0.75692373
   0.17798973  0.72301028 -0.00547909
   0.40766934  0.61865254  0.37550598
   0.12045690  0.97120562  0.13847966
   0.34840595  0.88809037  0.27365439
   0.16407544  0.61451952  0.48674219
   0.38405959  0.69772783  0.83058222
   0.09761638  0.86119580  0.57818332
   0.36986897  0.93550446  0.68258018
   0.65298906  0.12352241  0.99215480
   0.81816757  0.15458639  0.34469131
   0.58851504  0.43849368  0.09658061
   0.91250499  0.40275711  0.18014273
   0.62141189  0.20378914  0.50462136
   0.91871926  0.12090294  0.86517276
   0.63569153  0.46961899  0.63297774
   0.83935740  0.38505727  0.78034381
   0.58656369  0.69408765 -0.02356004
   0.93381409  0.58458574  0.35366295
   0.61485419  0.91131727  0.14616858
   0.87744360  0.87989699  0.25529420
   0.67749401  0.67701740  0.46675858
   0.88982283  0.64453959  0.89406670
   0.68055453  0.90153867  0.60777761
   0.90161332  0.88698678  0.75268934
   0.15774511  0.13192900  0.10441736
   0.36873376  0.18880242  0.28105864
   0.15385336  0.35323186  0.00945146
   0.36979893  0.46259971  0.34334788
   0.51937939  0.39408963  0.19630427
   0.25715149  0.36952190  0.17617010
   0.20023738  0.13412042  0.42991723
  -0.05928315  0.21214965  0.40438471
   0.00346729  0.01202557  0.52427722
   0.44379232  0.26506722  0.82770841
   0.08353198  0.24179840  0.58202797
   0.37728879  0.52651923  0.82700672
   0.48700699  0.38752024  0.67348141
   0.22982808  0.36664509  0.71801307
   0.27088185  0.12706852 -0.07663322
   0.00587425  0.13034967  0.96048054
   0.26159754  0.59985177  0.06283481
   0.33483337  0.72160175  0.29549400
   0.17048575  0.85177764  0.06297083
   0.38759425  0.95436677  0.38000468
   0.45760178  0.92463345  0.18928075
   0.20526865  0.95662369  0.23099616
   0.31882918  0.66072536  0.46379396
   0.08072856  0.53853141  0.40257337
   0.29450450  0.38373738  0.52604062
   0.33995002  0.75984464  0.72662675
   0.06909859  0.75465928  0.49729492
   0.39884985  0.98321065  0.79914225
   0.52201681  0.90732576  0.64132881
   0.26399390  0.89085720  0.57480272
   0.28098970  0.74514732 -0.08789486
   0.02298662  0.70564992  0.95087517
   0.66091877  0.06921746  0.10134555
   0.79113618  0.23343252  0.24384207
   0.59791662  0.29892401  0.01640587
   0.88333641  0.44820305  0.28281393
   0.03567750  0.50608704  0.15398305
   0.75263793  0.47062808  0.12473988
   0.67814572  0.18820271  0.39446863
   0.45046972  0.19574631  0.46778810
   0.70098695  0.07278628  0.56049736
   0.94722277  0.25218299  0.79414838
   0.66950700  0.35127688  0.54620050
   0.93819616  0.50482756  0.84512876
   1.10810016  0.53734606  0.59029924
   0.79724266  0.42472692  0.67591418
   0.76426055  0.10422451  0.90800165
   0.51463750  0.06940920  0.94885144
   0.52169896  0.55297094  0.02165790
   0.93673942  0.73438413  0.28552900
   0.60173160  0.82018659  0.04607715
   0.84884443  0.99043879  0.33385764
   0.95889640  0.93556689  0.16665239
   0.73227665  0.83737216  0.21186493
   0.81817839  0.61091314  0.42844574
   0.56942868  0.63789515  0.37905384
   0.62047831  0.60430371  0.55797330
   0.82805335  0.75749499  0.81885845
   0.70133274  0.84432991  0.49057172
   0.98462363  0.98241985  0.82217846
   1.01201650  0.84142497  0.67644726
   0.78798591  0.97823933  0.70260991
   0.75966469  0.62556905  0.97641716
   0.53440728  0.73189982  0.87319999
   0.73507198  0.76498335  0.64987711
   0.92058808  1.00284759  0.54677001
   0.91381908  0.28484004  0.11373766
   0.74713808  1.16168802  0.20006825
   0.31301935  0.07031312  0.67980538
   0.35163055  0.31664254  0.49285144
   0.52538053  1.31615785 -0.04203894
  -0.21462184  1.55594698  0.04289392
   0.73137554  0.34990747  0.84983130
   0.62174078  0.57243323  0.70901892
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921911    0.140715   -0.161527
    -0.000000    9.588325   -0.071320
    -0.000000    0.000000   14.065258
   Si   O    H 
    32    64    10
Direct configuration=  3498
   0.15859950  0.18018784 -0.00370716
   0.35459895  0.11754094  0.39166159
   0.17736917  0.46469661  0.09742358
   0.37973390  0.35656579  0.25061013
   0.06478568  0.16855186  0.48593717
   0.40793643  0.10702554  0.86869578
   0.17249643  0.38351179  0.61061373
   0.38744661  0.38924784  0.75641051
   0.17617337  0.72272797 -0.00462646
   0.40840590  0.61927576  0.37502235
   0.12115355  0.97138846  0.13894844
   0.34781663  0.88719732  0.27299382
   0.16328410  0.61317891  0.48612964
   0.38399093  0.69751396  0.83046605
   0.09738723  0.86189998  0.57761184
   0.36951531  0.93449591  0.68309148
   0.65184718  0.12318618  0.99185128
   0.81707444  0.15525003  0.34447035
   0.58913925  0.43842372  0.09726639
   0.91157704  0.40316920  0.17913429
   0.61974226  0.20392665  0.50490858
   0.91860129  0.12051551  0.86463342
   0.63580363  0.46956066  0.63307743
   0.83912342  0.38425994  0.78030519
   0.58596142  0.69357609 -0.02413465
   0.93271916  0.58513615  0.35280154
   0.61413362  0.91070162  0.14561284
   0.87599635  0.87939610  0.25565468
   0.67861449  0.67609379  0.46723860
   0.88879001  0.64407087  0.89366001
   0.68184762  0.90167869  0.60787459
   0.90102118  0.88744543  0.75412041
   0.15921965  0.13116334  0.10534140
   0.36675288  0.18783007  0.28378956
   0.15531570  0.35306222  0.00854523
   0.36960144  0.46232068  0.34429635
   0.51912804  0.39391880  0.19646748
   0.25770163  0.37082934  0.17581054
   0.20096466  0.13357152  0.43016717
  -0.05890113  0.21272376  0.40545976
   0.00483051  0.01366687  0.52518903
   0.44297988  0.26504050  0.82831393
   0.08432928  0.24265192  0.58316069
   0.37768608  0.52580721  0.82570535
   0.48539771  0.38741482  0.67197727
   0.23155285  0.36770914  0.71823633
   0.27001574  0.12662891 -0.07736715
   0.00507977  0.13092190  0.96001629
   0.26325199  0.59873226  0.06208562
   0.33497481  0.72016673  0.29635903
   0.17072042  0.85197499  0.06339332
   0.38681461  0.95655216  0.38040427
   0.45813842  0.92596870  0.18846822
   0.20542393  0.95750944  0.23128779
   0.31741012  0.65929074  0.46352603
   0.07886672  0.53915896  0.40180931
   0.29459724  0.38140797  0.52590971
   0.34000205  0.76061482  0.72469836
   0.06733815  0.75647033  0.49655951
   0.39861372  0.98351002  0.79901327
   0.52293507  0.90823848  0.64061758
   0.26388543  0.89262116  0.57444748
   0.28397608  0.74270735 -0.08742376
   0.02397492  0.70633953  0.95175892
   0.66242102  0.06688526  0.10110141
   0.79005217  0.23372993  0.24423534
   0.59757833  0.30106092  0.01647621
   0.88332004  0.44909424  0.28346378
   0.03405586  0.50625176  0.15495045
   0.75278898  0.46943462  0.12589039
   0.67581234  0.18866087  0.39332938
   0.45107717  0.19496980  0.46816827
   0.70060968  0.07316886  0.55993761
   0.94670983  0.25289536  0.79357744
   0.67019714  0.35077711  0.54561646
   0.93949554  0.50490934  0.84467984
   1.11045152  0.53771460  0.59067519
   0.79706838  0.42472706  0.67606530
   0.76616592  0.10499284  0.90749741
   0.51457836  0.06874198  0.94973485
   0.52157568  0.55432220  0.02214910
   0.93811608  0.73370906  0.28608146
   0.60253413  0.82054186  0.04589757
   0.84885794  0.98959424  0.33510677
   0.96179017  0.93373221  0.16803792
   0.73217747  0.83728147  0.21195225
   0.81770336  0.61034566  0.42805162
   0.56945959  0.63754454  0.37744737
   0.62059586  0.60383983  0.55656340
   0.82758278  0.75738692  0.81778997
   0.70150779  0.84387998  0.49048410
   0.98411055  0.98219962  0.82251998
   1.01347655  0.83916607  0.67624229
   0.78733790  0.97993446  0.70216748
   0.76093182  0.62631331  0.97542096
   0.53605899  0.73236195  0.87400654
   0.73352095  0.75669349  0.64288955
   0.90133762  0.99869959  0.54783356
   0.91946610  0.29032787  0.11035624
   0.75020333  1.15250740  0.20429605
   0.31676718  0.07521709  0.68207542
   0.35565520  0.32769521  0.49821410
   0.55156239  1.31394908 -0.02653087
  -0.21650589  1.55152151  0.04112209
   0.72256119  0.35507962  0.85279423
   0.62477386  0.58358840  0.71416581
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922563    0.142509   -0.159673
    -0.000000    9.589036   -0.069984
    -0.000000    0.000000   14.065315
   Si   O    H 
    32    64    10
Direct configuration=  3499
   0.15799308  0.18123239 -0.00438851
   0.35302541  0.11736781  0.39037408
   0.17798589  0.46428907  0.09773631
   0.38010648  0.35626644  0.25099197
   0.06297484  0.16920601  0.48502688
   0.40697399  0.10750485  0.86870967
   0.17282007  0.38295183  0.60970069
   0.38689002  0.38935521  0.75711907
   0.17469826  0.72239422 -0.00334337
   0.40872801  0.61951205  0.37466074
   0.12120883  0.97141810  0.13926356
   0.34743203  0.88577584  0.27244267
   0.16241630  0.61181635  0.48531595
   0.38378557  0.69745217  0.83007329
   0.09806419  0.86250951  0.57728389
   0.36905252  0.93326505  0.68302972
   0.65152361  0.12254038  0.99154452
   0.81582834  0.15594417  0.34470479
   0.59021046  0.43873094  0.09817734
   0.91076267  0.40312084  0.17809740
   0.61837948  0.20399500  0.50466271
   0.91883056  0.12114705  0.86407618
   0.63601985  0.46985272  0.63336778
   0.83843945  0.38288423  0.78028526
   0.58549999  0.69267033 -0.02481165
   0.93221541  0.58556368  0.35163905
   0.61370130  0.91011635  0.14473014
   0.87465978  0.87899502  0.25601753
   0.68025954  0.67553396  0.46759711
   0.88782870  0.64408012  0.89289500
   0.68304775  0.90164267  0.60796061
   0.90021411  0.88724723  0.75516509
   0.16090854  0.12981711  0.10613324
   0.36579675  0.18765689  0.28621178
   0.15640213  0.35289192  0.00737414
   0.36977928  0.46193679  0.34520551
   0.51905953  0.39392405  0.19655594
   0.25845769  0.37213661  0.17521679
   0.20173060  0.13366604  0.43067751
  -0.05760281  0.21415286  0.40702845
   0.00577237  0.01475063  0.52606365
   0.44199005  0.26455990  0.82940390
   0.08474305  0.24414598  0.58485704
   0.37873406  0.52553287  0.82378070
   0.48444237  0.38801506  0.66997277
   0.23325088  0.36859632  0.71834053
   0.26868043  0.12614331 -0.07781799
   0.00449524  0.13200739  0.95951693
   0.26375029  0.59703945  0.06104736
   0.33610790  0.71911243  0.29701083
   0.17051988  0.85240695  0.06379731
   0.38650641  0.95752326  0.38077356
   0.45906330  0.92805812  0.18748641
   0.20609815  0.95876557  0.23255737
   0.31635094  0.65780926  0.46371312
   0.07774228  0.53983258  0.40069727
   0.29345387  0.38020858  0.52654845
   0.33933765  0.76093912  0.72288774
   0.06595425  0.75732521  0.49506846
   0.39781290  0.98364623  0.79857027
   0.52376481  0.90936057  0.64063552
   0.26341211  0.89395016  0.57454095
   0.28614461  0.74079995 -0.08690251
   0.02381779  0.70691332  0.95243305
   0.66445811  0.06414749  0.10092150
   0.78899538  0.23390053  0.24390562
   0.60049072  0.30182404  0.01951819
   0.88357368  0.45066234  0.28495153
   0.03339421  0.50580344  0.15611343
   0.75252927  0.46823204  0.12623178
   0.67347074  0.18971000  0.39225736
   0.45252190  0.19417837  0.46864804
   0.70049633  0.07399298  0.55966922
   0.94579345  0.25354256  0.79309975
   0.66952342  0.35014948  0.54561174
   0.94041741  0.50412458  0.84471525
   1.11249216  0.53748376  0.59087814
   0.79712155  0.42445076  0.67643871
   0.76713319  0.10578198  0.90684679
   0.51467929  0.06825672  0.95071942
   0.52223531  0.55525106  0.02293399
   0.93956332  0.73222445  0.28679290
   0.60291343  0.82101182  0.04614734
   0.84898539  0.98972068  0.33628803
   0.96462347  0.93291572  0.16911608
   0.73154835  0.83679629  0.21119840
   0.81792319  0.60944688  0.42756173
   0.56967200  0.63696581  0.37620487
   0.61989410  0.60282232  0.55576060
   0.82817069  0.75705960  0.81659832
   0.70232005  0.84239338  0.49080800
   0.98395214  0.98271264  0.82247870
   1.01556170  0.83652186  0.67619397
   0.78755907  0.98101664  0.70162095
   0.76299238  0.62742093  0.97490838
   0.53795728  0.73323821  0.87435784
   0.73197190  0.75489024  0.63472419
   0.89344254  0.99723753  0.54648475
   0.92591507  0.29149059  0.10655678
   0.75456518  1.15173967  0.20763064
   0.31710466  0.08774821  0.68051354
   0.37469265  0.32294786  0.49718879
   0.52194872  1.33316937 -0.05909015
  -0.21901086  1.55123816  0.04044293
   0.71484056  0.36333050  0.85239782
   0.62660394  0.58558797  0.71944156
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922615    0.143731   -0.157713
    -0.000000    9.589727   -0.068858
    -0.000000    0.000000   14.065256
   Si   O    H 
    32    64    10
Direct configuration=  3500
   0.15698990  0.18214117 -0.00528452
   0.35195193  0.11739588  0.38925221
   0.17887384  0.46408798  0.09849907
   0.38034043  0.35570175  0.25139880
   0.06143636  0.16910712  0.48393151
   0.40586638  0.10822331  0.86856814
   0.17386227  0.38248074  0.60836898
   0.38614733  0.38925772  0.75732227
   0.17319089  0.72169825 -0.00224964
   0.40863008  0.61971768  0.37457803
   0.12144440  0.97110702  0.13943280
   0.34720943  0.88450670  0.27166627
   0.16148886  0.61073566  0.48418632
   0.38319516  0.69735375  0.82922408
   0.09945696  0.86402338  0.57696935
   0.36874409  0.93169020  0.68306061
   0.65143951  0.12236574  0.99129106
   0.81450520  0.15684762  0.34539984
   0.59102035  0.43901525  0.09869450
   0.90987243  0.40236932  0.17672393
   0.61709097  0.20353067  0.50458711
   0.91917889  0.12180140  0.86381134
   0.63606253  0.47065675  0.63394174
   0.83847866  0.38197793  0.78057164
   0.58557831  0.69183192 -0.02511264
   0.93140682  0.58615165  0.35035768
   0.61327845  0.90911619  0.14387455
   0.87284237  0.87856531  0.25639525
   0.68191779  0.67568033  0.46759650
   0.88718525  0.64517007  0.89169455
   0.68399976  0.90233222  0.60800875
   0.89917988  0.88620508  0.75581675
   0.16276788  0.12807510  0.10633100
   0.36530560  0.18694712  0.28805415
   0.15749678  0.35308611  0.00610237
   0.36958282  0.46098306  0.34637731
   0.51977781  0.39350110  0.19647073
   0.25825067  0.37290100  0.17440237
   0.20236071  0.13404686  0.43165458
  -0.05615545  0.21530166  0.40819421
   0.00601395  0.01551274  0.52744692
   0.44081897  0.26399108  0.83062281
   0.08505169  0.24560566  0.58627330
   0.38021876  0.52520469  0.82248339
   0.48334849  0.38905159  0.66842269
   0.23430682  0.36829717  0.71817953
   0.26698112  0.12629708 -0.07816496
   0.00445748  0.13331582  0.95988084
   0.26387938  0.59546088  0.06030039
   0.33715235  0.71893528  0.29750863
   0.17001454  0.85396710  0.06395371
   0.38661964  0.95744762  0.38047023
   0.46010405  0.92990873  0.18710178
   0.20681723  0.95961008  0.23508717
   0.31575071  0.65682550  0.46455473
   0.07652545  0.53969811  0.39953622
   0.29227084  0.37963252  0.52673565
   0.33923615  0.76097261  0.72115069
   0.06478230  0.75851886  0.49380160
   0.39652697  0.98353060  0.79821272
   0.52491961  0.91034249  0.64067287
   0.26256027  0.89491643  0.57538897
   0.28837991  0.73850246 -0.08603507
   0.02345444  0.70680282  0.95292953
   0.66515200  0.06137258  0.10094784
   0.78897426  0.23363736  0.24298076
   0.60229498  0.30142640  0.02169465
   0.88395666  0.45195760  0.28706371
   0.03340078  0.50578394  0.15651392
   0.75248889  0.46755529  0.12622440
   0.67160650  0.18996484  0.39182187
   0.45293298  0.19425604  0.46940087
   0.70033338  0.07499941  0.55914328
   0.94510010  0.25293710  0.79280231
   0.66871297  0.34884633  0.54574585
   0.94169030  0.50305779  0.84519198
   1.11469696  0.53769244  0.59101165
   0.79764058  0.42446533  0.67623943
   0.76751284  0.10634490  0.90661572
   0.51532375  0.06761431  0.95173127
   0.52390307  0.55620372  0.02400366
   0.94140962  0.73078732  0.28764621
   0.60296148  0.82096370  0.04663962
   0.84860672  0.98954107  0.33750999
   0.96763152  0.93292362  0.16981634
   0.73040114  0.83705724  0.21038403
   0.81786736  0.60819853  0.42671285
   0.56981119  0.63595360  0.37531324
   0.61949570  0.60113843  0.55509682
   0.82839639  0.75735134  0.81530690
   0.70304568  0.84061147  0.49072152
   0.98376361  0.98336661  0.82232394
   1.01699271  0.83378432  0.67624031
   0.78719611  0.98242449  0.70136685
   0.76444886  0.62842008  0.97459488
   0.54015167  0.73477708  0.87481554
   0.73116552  0.75720507  0.62826100
   0.89601090  1.00359809  0.54068332
   0.93349986  0.29043306  0.10073232
   0.75604768  1.15452757  0.20711176
   0.31737007  0.09572055  0.67663138
   0.38462493  0.32055879  0.50143470
   0.49982058  1.34621060 -0.08643808
  -0.21890998  1.55194496  0.03775870
   0.71179689  0.36833195  0.84954273
   0.62681765  0.58443928  0.72060495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.922260    0.144995   -0.155725
    -0.000000    9.590291   -0.067460
    -0.000000    0.000000   14.064949
   Si   O    H 
    32    64    10
Direct configuration=  3501
   0.15618366  0.18287486 -0.00563114
   0.35073562  0.11753289  0.38843561
   0.17899962  0.46391440  0.09915005
   0.38065396  0.35559342  0.25176711
   0.06009531  0.16877258  0.48259830
   0.40473341  0.10790891  0.86870676
   0.17521173  0.38248347  0.60735058
   0.38579071  0.38921054  0.75771217
   0.17200641  0.72127639 -0.00140353
   0.40777815  0.61895044  0.37459498
   0.12149339  0.97035126  0.13982673
   0.34707256  0.88416225  0.27095958
   0.16070368  0.61048315  0.48295225
   0.38271244  0.69664310  0.82812380
   0.10085213  0.86586375  0.57651784
   0.36838274  0.93011857  0.68288604
   0.65201868  0.12289965  0.99196226
   0.81309281  0.15803059  0.34585033
   0.59148902  0.43924666  0.09913491
   0.90957288  0.40153171  0.17500105
   0.61601069  0.20351328  0.50441095
   0.91947848  0.12192235  0.86387141
   0.63616139  0.47167633  0.63460398
   0.83851266  0.38114708  0.78128519
   0.58654105  0.69076368 -0.02511309
   0.93079196  0.58722337  0.34890171
   0.61274864  0.90838532  0.14304595
   0.87168249  0.87769353  0.25660828
   0.68331673  0.67586015  0.46756555
   0.88672564  0.64623338  0.89093097
   0.68498761  0.90330230  0.60799813
   0.89800558  0.88499759  0.75604793
   0.16388016  0.12583118  0.10645321
   0.36473964  0.18796452  0.28966226
   0.15868056  0.35326375  0.00534486
   0.36993516  0.45925549  0.34630286
   0.52023668  0.39380885  0.19569549
   0.25841067  0.37294554  0.17377450
   0.20315154  0.13489927  0.43265398
  -0.05502240  0.21616291  0.40927370
   0.00595179  0.01574423  0.52875503
   0.43930352  0.26290383  0.83240710
   0.08580620  0.24677074  0.58745844
   0.38236877  0.52472977  0.82142762
   0.48334395  0.38921504  0.66741946
   0.23497294  0.36801214  0.71851014
   0.26535857  0.12608804 -0.07864020
   0.00564816  0.13461985  0.96023374
   0.26333211  0.59326087  0.05964380
   0.33827631  0.71822062  0.29762813
   0.17069794  0.85501641  0.06487535
   0.38699741  0.95700798  0.37976997
   0.46045885  0.93111540  0.18721229
   0.20801179  0.96091160  0.23814431
   0.31525015  0.65617967  0.46491232
   0.07490883  0.53831289  0.39800203
   0.29157421  0.37803882  0.52707662
   0.33895400  0.76174145  0.71979643
   0.06325516  0.75890577  0.49183870
   0.39583346  0.98336071  0.79796758
   0.52597691  0.91195544  0.64048050
   0.26126687  0.89553788  0.57649802
   0.28960484  0.73680391 -0.08554224
   0.02275454  0.70617065  0.95300679
   0.66656928  0.05874409  0.10144231
   0.78915175  0.23363065  0.24193312
   0.60316920  0.30024846  0.02326721
   0.88406837  0.45241595  0.28875970
   0.03363301  0.50621621  0.15689407
   0.75289905  0.46741245  0.12584562
   0.67011027  0.19083417  0.39095170
   0.45313152  0.19446361  0.47002789
   0.70059187  0.07577485  0.55884904
   0.94449900  0.25217563  0.79271014
   0.66726687  0.34845166  0.54610193
   0.94239801  0.50161300  0.84571248
   1.11526141  0.53746552  0.59070948
   0.79820944  0.42455396  0.67623796
   0.76684303  0.10690615  0.90674671
   0.51559021  0.06736553  0.95228537
   0.52606364  0.55694204  0.02555056
   0.94343017  0.72896314  0.28847299
   0.60244440  0.82004720  0.04663406
   0.84724709  0.98910985  0.33871286
   0.97065690  0.93313568  0.17037230
   0.72859977  0.83799081  0.21014516
   0.81723109  0.60640426  0.42621770
   0.56949632  0.63482241  0.37484008
   0.61840384  0.59936448  0.55432262
   0.82952898  0.75696692  0.81437770
   0.70384622  0.83874246  0.49040490
   0.98345583  0.98398673  0.82270857
   1.01762784  0.83140104  0.67536323
   0.78671347  0.98389227  0.70155764
   0.76514488  0.62896052  0.97439160
   0.54097618  0.73642026  0.87414971
   0.73486185  0.76563285  0.62351088
   0.90615223  1.01122535  0.53426791
   0.94104510  0.28690917  0.09768926
   0.75372172  1.15406795  0.20344511
   0.31926496  0.09807943  0.67156105
   0.38275689  0.31899485  0.50937751
   0.48136147  1.35211225 -0.11485736
  -0.21865475  1.55667477  0.03493002
   0.71241350  0.37507324  0.84361449
   0.62635468  0.57789355  0.71413898
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921885    0.145647   -0.154118
    -0.000000    9.590691   -0.066104
    -0.000000    0.000000   14.065148
   Si   O    H 
    32    64    10
Direct configuration=  3502
   0.15507590  0.18348203 -0.00610268
   0.34984440  0.11718851  0.38837565
   0.17879169  0.46303199  0.09963443
   0.38124857  0.35564859  0.25182086
   0.05896521  0.16886190  0.48188410
   0.40449147  0.10758992  0.86940121
   0.17621500  0.38215383  0.60679155
   0.38532497  0.38878235  0.75772535
   0.17117103  0.72059389 -0.00028239
   0.40733902  0.61837165  0.37490018
   0.12213637  0.96960996  0.14031111
   0.34673580  0.88410628  0.27062756
   0.16091104  0.61094952  0.48230679
   0.38170893  0.69592323  0.82729183
   0.10207979  0.86791175  0.57624501
   0.36823798  0.92868879  0.68236252
   0.65275907  0.12370111  0.99281243
   0.81214218  0.15946321  0.34627044
   0.59170200  0.43924559  0.09925102
   0.90886879  0.40078327  0.17306784
   0.61550008  0.20335357  0.50437532
   0.91922136  0.12236361  0.86361438
   0.63611208  0.47189040  0.63544685
   0.83853012  0.38107708  0.78237023
   0.58769090  0.68976711 -0.02494356
   0.93047823  0.58818869  0.34752876
   0.61232859  0.90781717  0.14207431
   0.87142066  0.87649416  0.25652005
   0.68428214  0.67641198  0.46724129
   0.88684129  0.64651366  0.89006244
   0.68608251  0.90452726  0.60822882
   0.89726435  0.88408565  0.75651772
   0.16464601  0.12403778  0.10603482
   0.36383113  0.18934499  0.29021420
   0.15929293  0.35334404  0.00471770
   0.37101402  0.45754679  0.34670946
   0.52030171  0.39276153  0.19500685
   0.25824221  0.37294135  0.17358341
   0.20294409  0.13550833  0.43351069
  -0.05373004  0.21674689  0.40988945
   0.00662187  0.01637081  0.52977006
   0.43847311  0.26235079  0.83437322
   0.08687130  0.24812775  0.58745432
   0.38366183  0.52343019  0.82081473
   0.48368692  0.38996096  0.66645097
   0.23473931  0.36650517  0.71875633
   0.26345090  0.12578673 -0.07888972
   0.00726136  0.13663993  0.96147040
   0.26242953  0.59163992  0.05919718
   0.33970084  0.71741693  0.29782688
   0.17147436  0.85568126  0.06662636
   0.38757435  0.95591575  0.37866446
   0.46096487  0.93124537  0.18730032
   0.20971501  0.96166506  0.24145098
   0.31485800  0.65459745  0.46594676
   0.07355360  0.53723587  0.39645520
   0.29234438  0.37633848  0.52726679
   0.33849895  0.76225625  0.71972261
   0.06220738  0.75941883  0.48995737
   0.39571842  0.98330602  0.79732061
   0.52707799  0.91304399  0.64030482
   0.25950985  0.89615572  0.57817520
   0.29047153  0.73435363 -0.08483125
   0.02167503  0.70537110  0.95279105
   0.66878730  0.05668708  0.10234269
   0.78946925  0.23336451  0.24058265
   0.60419582  0.29904796  0.02444609
   0.88411190  0.45318810  0.29018386
   0.03461638  0.50650428  0.15669715
   0.75384931  0.46726526  0.12564743
   0.66820931  0.19150478  0.39080460
   0.45342680  0.19458136  0.46984861
   0.70052402  0.07599006  0.55897263
   0.94402182  0.25097343  0.79269866
   0.66677668  0.34817983  0.54635904
   0.94279414  0.49978831  0.84600132
   1.11606443  0.53704236  0.58931932
   0.79953398  0.42463503  0.67602646
   0.76557273  0.10780310  0.90713447
   0.51517764  0.06662954  0.95283068
   0.52731393  0.55686337  0.02729982
   0.94409122  0.72748551  0.28894191
   0.60250756  0.81826546  0.04621884
   0.84611227  0.98900396  0.33949239
   0.97265169  0.93344705  0.17092440
   0.72608646  0.83998541  0.21007855
   0.81631128  0.60520418  0.42572921
   0.56918984  0.63358513  0.37434220
   0.61777155  0.59762966  0.55381199
   0.83107698  0.75733549  0.81334626
   0.70439595  0.83813162  0.49039994
   0.98390143  0.98437411  0.82371627
   1.01810714  0.82821074  0.67462007
   0.78603296  0.98476463  0.70186204
   0.76536577  0.62915068  0.97426490
   0.54126404  0.73810078  0.87275811
   0.74299627  0.76930057  0.62328355
   0.91097490  1.01519840  0.52695887
   0.94476082  0.28148005  0.09590124
   0.75549890  1.15293498  0.19626581
   0.32019997  0.09419671  0.66773610
   0.37182285  0.31790442  0.51478134
   0.46469771  1.35118602 -0.14080110
  -0.21693620  1.56186242  0.03372131
   0.71500702  0.37913605  0.83876834
   0.62455288  0.56973790  0.70780402
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.921366    0.146279   -0.152999
    -0.000000    9.590648   -0.064589
    -0.000000    0.000000   14.065553
   Si   O    H 
    32    64    10
Direct configuration=  3503
   0.15429819  0.18407909 -0.00595947
   0.34973379  0.11725319  0.38860905
   0.17856743  0.46244226  0.09965852
   0.38192576  0.35563195  0.25184086
   0.05869431  0.16902660  0.48126897
   0.40400232  0.10769768  0.86997828
   0.17783033  0.38159741  0.60620725
   0.38433660  0.38884896  0.75731131
   0.17056891  0.72001827  0.00087625
   0.40715647  0.61706039  0.37518412
   0.12315161  0.96913072  0.14109541
   0.34702270  0.88397625  0.27072338
   0.16054631  0.61139324  0.48184374
   0.38176908  0.69548370  0.82630433
   0.10279677  0.86942989  0.57630717
   0.36828216  0.92775604  0.68213070
   0.65321531  0.12535507  0.99366197
   0.81158193  0.16038675  0.34722066
   0.59255789  0.43882592  0.09945229
   0.90805654  0.39972016  0.17132605
   0.61499368  0.20307734  0.50443022
   0.91846330  0.12301943  0.86374630
   0.63630610  0.47216492  0.63600766
   0.83920122  0.38112710  0.78342809
   0.58837956  0.68889659 -0.02453095
   0.92991962  0.58940037  0.34649292
   0.61175258  0.90744800  0.14078813
   0.87138449  0.87526963  0.25608114
   0.68492560  0.67620432  0.46660077
   0.88751352  0.64694573  0.88929319
   0.68728159  0.90610276  0.60842279
   0.89655221  0.88363369  0.75663880
   0.16578376  0.12137595  0.10505459
   0.36342774  0.19114716  0.28989277
   0.15937885  0.35317019  0.00418209
   0.37189451  0.45541713  0.34715625
   0.51982881  0.39219436  0.19404828
   0.25889742  0.37291276  0.17421179
   0.20233745  0.13654231  0.43435940
  -0.05418838  0.21795593  0.41027992
   0.00730055  0.01659921  0.53060310
   0.43813869  0.26174304  0.83528517
   0.08769981  0.24930725  0.58664588
   0.38475662  0.52206723  0.82008873
   0.48371549  0.39104385  0.66577678
   0.23371126  0.36513576  0.71933930
   0.26102274  0.12604207 -0.07896968
   0.00890341  0.13883099  0.96254854
   0.26136607  0.59124052  0.05909326
   0.34045920  0.71740729  0.29757823
   0.17204658  0.85569967  0.06755980
   0.38838741  0.95398170  0.37771566
   0.46185550  0.93112930  0.18705701
   0.21141076  0.96230045  0.24416264
   0.31361335  0.65297988  0.46640544
   0.07267550  0.53522215  0.39480117
   0.29369827  0.37487784  0.52803498
   0.33910390  0.76223530  0.71946920
   0.06115451  0.75953306  0.48803516
   0.39586249  0.98405098  0.79708956
   0.52878819  0.91382506  0.64056922
   0.25791526  0.89823930  0.58042791
   0.29120453  0.73284450 -0.08454667
   0.02043366  0.70430754  0.95304270
   0.67095532  0.05497061  0.10310934
   0.78922991  0.23247419  0.23910410
   0.60544413  0.29746576  0.02557761
   0.88468741  0.45312567  0.29175213
   0.03612163  0.50705937  0.15608126
   0.75495174  0.46751146  0.12521894
   0.66681086  0.19155484  0.39014751
   0.45387805  0.19506001  0.47034236
   0.70010372  0.07654587  0.55868459
   0.94358817  0.25028057  0.79343891
   0.66573064  0.34763880  0.54614343
   0.94175835  0.49743675  0.84633739
   1.11644450  0.53595989  0.58786874
   0.80119926  0.42480317  0.67628152
   0.76386084  0.10898478  0.90750002
   0.51419746  0.06506763  0.95302048
   0.52813249  0.55691213  0.02935303
   0.94421167  0.72666385  0.28870302
   0.60208872  0.81623341  0.04533267
   0.84533683  0.98854557  0.34001014
   0.97452504  0.93316416  0.17158138
   0.72413671  0.84163633  0.21009798
   0.81621745  0.60512882  0.42613896
   0.56937910  0.63331926  0.37349126
   0.61667905  0.59671169  0.55331781
   0.83265215  0.75768482  0.81217042
   0.70468213  0.83805447  0.49042615
   0.98477976  0.98453008  0.82433189
   1.01918242  0.82487934  0.67381805
   0.78513188  0.98552515  0.70197650
   0.76566835  0.62836534  0.97414179
   0.54112846  0.73935150  0.87113005
   0.75083444  0.76536382  0.62830337
   0.90323128  1.01600087  0.51990862
   0.94587028  0.27917227  0.09975202
   0.75947896  1.15716823  0.19019879
   0.32194629  0.08705447  0.66416454
   0.36292895  0.31548408  0.51787107
   0.46294526  1.35919713 -0.15005804
  -0.21756144  1.56581693  0.03514532
   0.72083109  0.38166989  0.83653255
   0.62471187  0.57218729  0.70927804
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.920648    0.147425   -0.151779
    -0.000000    9.590455   -0.063477
    -0.000000    0.000000   14.066223
   Si   O    H 
    32    64    10
Direct configuration=  3504
   0.15357980  0.18542232 -0.00571168
   0.34956851  0.11695948  0.38946067
   0.17832720  0.46134659  0.09916347
   0.38247702  0.35611575  0.25105920
   0.05934360  0.16913214  0.48068623
   0.40336377  0.10774794  0.87070679
   0.17956655  0.38130147  0.60579998
   0.38307931  0.38930712  0.75643180
   0.17051657  0.71986409  0.00184142
   0.40754402  0.61555481  0.37582609
   0.12454200  0.96932042  0.14164501
   0.34770521  0.88405264  0.27121782
   0.15988519  0.61191824  0.48131736
   0.38214443  0.69480345  0.82543268
   0.10291802  0.87062068  0.57678918
   0.36858421  0.92694731  0.68127338
   0.65370364  0.12720302  0.99492371
   0.81135919  0.16154115  0.34835326
   0.59398140  0.43828379  0.09936314
   0.90689097  0.39882922  0.16970060
   0.61432569  0.20210268  0.50478253
   0.91753694  0.12375425  0.86365150
   0.63692658  0.47222133  0.63619083
   0.84000160  0.38184499  0.78424562
   0.58930489  0.68751991 -0.02427820
   0.92939104  0.59029981  0.34576694
   0.61090509  0.90700764  0.13949351
   0.87162288  0.87351596  0.25546096
   0.68490860  0.67572439  0.46584551
   0.88809459  0.64615349  0.88877249
   0.68786326  0.90724799  0.60831247
   0.89616128  0.88329150  0.75679874
   0.16656638  0.11916047  0.10423633
   0.36333660  0.19286985  0.28944257
   0.15941441  0.35305068  0.00418570
   0.37305640  0.45372472  0.34751028
   0.51834973  0.39204959  0.19350491
   0.26038020  0.37230713  0.17510368
   0.20230845  0.13822474  0.43502294
  -0.05477674  0.21874007  0.41049721
   0.00721137  0.01593556  0.53107752
   0.43789966  0.26080831  0.83550323
   0.08771177  0.25053648  0.58552277
   0.38601220  0.52049376  0.81978738
   0.48371581  0.39214843  0.66518368
   0.23278814  0.36394035  0.71988967
   0.25889253  0.12638183 -0.07901957
   0.00964346  0.14079761  0.96331973
   0.26009732  0.59164086  0.05947284
   0.34159684  0.71779757  0.29664861
   0.17322309  0.85605678  0.06808631
   0.38898929  0.95183946  0.37658894
   0.46226633  0.93017629  0.18677464
   0.21283208  0.96185390  0.24648758
   0.31316674  0.65074299  0.46648513
   0.07286488  0.53242746  0.39369426
   0.29403984  0.37491656  0.52872886
   0.34010771  0.76157464  0.71987725
   0.06011429  0.76032643  0.48668316
   0.39648122  0.98418619  0.79652335
   0.53006980  0.91470311  0.64136231
   0.25639285  0.90051176  0.58191212
   0.29195576  0.73147501 -0.08391750
   0.01950580  0.70445950  0.95327866
   0.67225282  0.05295161  0.10382208
   0.78911590  0.23137711  0.23774814
   0.60655724  0.29592519  0.02673894
   0.88470307  0.45339987  0.29284634
   0.03772695  0.50751759  0.15506896
   0.75644243  0.46907427  0.12440491
   0.66563468  0.19167172  0.38907107
   0.45395061  0.19574117  0.47094167
   0.69960206  0.07739861  0.55823579
   0.94273906  0.24915773  0.79472350
   0.66420083  0.34755914  0.54607465
   0.93981121  0.49609627  0.84574078
   1.11646143  0.53492102  0.58678768
   0.80266465  0.42462973  0.67677464
   0.76219201  0.11017781  0.90793808
   0.51305175  0.06350259  0.95252763
   0.52893679  0.55816368  0.03204697
   0.94472718  0.72659113  0.28898497
   0.60174863  0.81458517  0.04400613
   0.84472868  0.98862319  0.34077602
   0.97459817  0.93270507  0.17275573
   0.72242130  0.84381108  0.20972788
   0.81684018  0.60557464  0.42637827
   0.56959490  0.63401633  0.37322583
   0.61565940  0.59540292  0.55268788
   0.83337928  0.75763246  0.81134006
   0.70540046  0.83773882  0.49029037
   0.98580311  0.98358287  0.82479375
   1.02007189  0.82262718  0.67287600
   0.78469877  0.98647428  0.70240224
   0.76583018  0.62739777  0.97310899
   0.54168474  0.73998822  0.86930785
   0.75891613  0.76586502  0.63648282
   0.90599641  1.01478228  0.51671312
   0.94586288  0.27921805  0.10913684
   0.76391159  1.16864618  0.18485599
   0.31845910  0.07522061  0.66018096
   0.36988331  0.30300445  0.51943719
   0.47126757  1.37276112 -0.14433976
  -0.21795361  1.56803802  0.03867972
   0.72148558  0.38073927  0.83932427
   0.62404691  0.58251293  0.71600454
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.919565    0.149115   -0.150834
    -0.000000    9.590598   -0.062767
    -0.000000    0.000000   14.066871
   Si   O    H 
    32    64    10
Direct configuration=  3505
   0.15248848  0.18659867 -0.00516018
   0.34956423  0.11734048  0.39052332
   0.17858907  0.46022361  0.09879421
   0.38324001  0.35617164  0.25019093
   0.06058549  0.16893154  0.48054158
   0.40314333  0.10652283  0.87180491
   0.18165739  0.38137474  0.60582180
   0.38224104  0.38894665  0.75509409
   0.17076264  0.72004840  0.00248166
   0.40795660  0.61437935  0.37603284
   0.12624719  0.96998654  0.14261171
   0.34901545  0.88406479  0.27195364
   0.15882442  0.61249535  0.48087419
   0.38244687  0.69351286  0.82440107
   0.10286591  0.87116902  0.57715129
   0.36892897  0.92682636  0.68043681
   0.65385841  0.12883891  0.99614095
   0.81097356  0.16297668  0.34912579
   0.59545410  0.43761597  0.09874704
   0.90621592  0.39833408  0.16829454
   0.61401325  0.20172921  0.50476551
   0.91623562  0.12456382  0.86345474
   0.63737389  0.47236245  0.63625137
   0.84103437  0.38275923  0.78475113
   0.59044083  0.68571360 -0.02411507
   0.92887261  0.59084319  0.34558385
   0.60991354  0.90596619  0.13867521
   0.87280688  0.87125022  0.25472239
   0.68481255  0.67459186  0.46534413
   0.88915763  0.64583652  0.88852989
   0.68836610  0.90816578  0.60849479
   0.89572435  0.88285178  0.75624760
   0.16604570  0.11720718  0.10341952
   0.36313533  0.19568965  0.28867761
   0.15987751  0.35358423  0.00368495
   0.37461939  0.45194644  0.34810510
   0.51672252  0.39170387  0.19269525
   0.26220142  0.37215402  0.17620741
   0.20176979  0.13970980  0.43570576
  -0.05628598  0.21875340  0.41052991
   0.00673987  0.01557162  0.53111672
   0.43769426  0.26198946  0.83500931
   0.08788225  0.25129655  0.58397961
   0.38804962  0.52018067  0.82004186
   0.48281940  0.39365182  0.66458375
   0.23245175  0.36209762  0.72002508
   0.25717988  0.12645460 -0.07888552
   0.00856884  0.14225013  0.96340443
   0.25801517  0.59264538  0.05989204
   0.34324256  0.71767690  0.29584902
   0.17304720  0.85625917  0.06824729
   0.38951939  0.95043481  0.37540371
   0.46291634  0.92886822  0.18684195
   0.21419616  0.96079294  0.24834405
   0.31266909  0.64919925  0.46658012
   0.07303482  0.53073082  0.39289149
   0.29399372  0.37559122  0.52879088
   0.34062153  0.76117089  0.72094458
   0.05921237  0.76086537  0.48496564
   0.39701632  0.98416785  0.79620074
   0.53070333  0.91611098  0.64254611
   0.25515697  0.90261116  0.58364567
   0.29303422  0.72974833 -0.08251834
   0.01904696  0.70451463  0.95287332
   0.67329793  0.05094680  0.10433151
   0.78966711  0.23078405  0.23639663
   0.60795264  0.29374581  0.02811177
   0.88445990  0.45324787  0.29284047
   0.04031129  0.50792873  0.15350580
   0.75728856  0.47100377  0.12342634
   0.66476786  0.19191939  0.38824459
   0.45453586  0.19613434  0.47128036
   0.69950524  0.07752909  0.55718996
   0.94145250  0.24821222  0.79562984
   0.66291982  0.34734126  0.54635016
   0.93864687  0.49435911  0.84567578
   1.11624656  0.53467460  0.58583716
   0.80357765  0.42424914  0.67748271
   0.76099775  0.11098461  0.90857856
   0.51253021  0.06152792  0.95182084
   0.52828076  0.55830856  0.03449182
   0.94446759  0.72699727  0.28881391
   0.60149327  0.81404194  0.04257990
   0.84475914  0.98855306  0.34134767
   0.97394713  0.93163262  0.17406838
   0.72144256  0.84555188  0.20942692
   0.81628935  0.60545601  0.42725139
   0.57003114  0.63416285  0.37332882
   0.61526178  0.59450076  0.55179556
   0.83358234  0.75706696  0.81021051
   0.70708870  0.83775310  0.48998726
   0.98688706  0.98293346  0.82532236
   1.01958227  0.82044496  0.67204512
   0.78490452  0.98770974  0.70279779
   0.76519388  0.62615902  0.97182058
   0.54233559  0.74034322  0.86768603
   0.76677283  0.76936317  0.64224256
   0.91222230  1.01055055  0.51714430
   0.94555534  0.28001818  0.12062171
   0.76517044  1.17516029  0.17764680
   0.31641969  0.06622552  0.65746218
   0.37441246  0.29043639  0.52125734
   0.47965888  1.37779411 -0.13494754
  -0.21847282  1.56662948  0.04211168
   0.71942458  0.37634424  0.84512437
   0.62132010  0.59155917  0.71996537
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918806    0.150553   -0.149454
    -0.000000    9.590579   -0.062113
    -0.000000    0.000000   14.067441
   Si   O    H 
    32    64    10
Direct configuration=  3506
   0.15094291  0.18750249 -0.00467171
   0.34890073  0.11773615  0.39206558
   0.17881621  0.45851185  0.09862319
   0.38365561  0.35602842  0.24951600
   0.06147321  0.16910327  0.48111982
   0.40259777  0.10483495  0.87344735
   0.18331590  0.38171457  0.60589555
   0.38257142  0.38839230  0.75367074
   0.17068767  0.72006606  0.00302077
   0.40755258  0.61374528  0.37605607
   0.12763565  0.97133559  0.14344476
   0.35063280  0.88432853  0.27291817
   0.15694114  0.61283242  0.48073878
   0.38327116  0.69299306  0.82347467
   0.10235146  0.87087536  0.57722980
   0.36910671  0.92661174  0.67966993
   0.65368936  0.13068876  0.99819934
   0.81077394  0.16394714  0.34963890
   0.59721116  0.43621872  0.09820054
   0.90626616  0.39792277  0.16740277
   0.61424069  0.20154815  0.50441693
   0.91515033  0.12490883  0.86332618
   0.63761764  0.47267484  0.63623840
   0.84222311  0.38337500  0.78495852
   0.59197452  0.68441659 -0.02391092
   0.92868990  0.59117596  0.34577381
   0.60933127  0.90536791  0.13804547
   0.87449300  0.86915761  0.25421340
   0.68427571  0.67320592  0.46474249
   0.89044953  0.64525609  0.88824858
   0.68958851  0.90896475  0.60833789
   0.89503254  0.88360412  0.75512012
   0.16606581  0.11613678  0.10188470
   0.36255988  0.19859221  0.28783258
   0.16080970  0.35379125  0.00381052
   0.37554521  0.44949776  0.34827811
   0.51530441  0.39075286  0.19183485
   0.26401686  0.37208528  0.17705101
   0.20134659  0.14114174  0.43686833
  -0.05710249  0.21942104  0.41038610
   0.00692522  0.01447901  0.53127526
   0.43800534  0.26412739  0.83421117
   0.08776160  0.25185612  0.58248281
   0.38960633  0.51995160  0.82037483
   0.48267195  0.39509422  0.66427601
   0.23232873  0.36085991  0.71937559
   0.25621222  0.12695843 -0.07876910
   0.00720222  0.14299349  0.96314748
   0.25654708  0.59373164  0.06084271
   0.34589026  0.71724481  0.29455675
   0.17298418  0.85694410  0.06829264
   0.38971918  0.94952067  0.37499662
   0.46266466  0.92739258  0.18694851
   0.21555725  0.96001628  0.24956640
   0.31172583  0.64792493  0.46720034
   0.07363831  0.52968945  0.39171443
   0.29437543  0.37618162  0.52863409
   0.34083441  0.76033370  0.72229754
   0.05893140  0.76166438  0.48403747
   0.39791496  0.98378005  0.79572095
   0.53077490  0.91671371  0.64313092
   0.25408971  0.90490588  0.58448905
   0.29326629  0.72770664 -0.08119845
   0.01846943  0.70475102  0.95295269
   0.67521882  0.04922082  0.10461006
   0.79088301  0.22993938  0.23499855
   0.60876467  0.29126903  0.02924924
   0.88366534  0.45199429  0.29232625
   0.04271318  0.50861832  0.15218520
   0.75818891  0.47312457  0.12263232
   0.66416469  0.19188438  0.38762253
   0.45453576  0.19676676  0.47115274
   0.69893754  0.07752146  0.55629623
   0.94054814  0.24688736  0.79632082
   0.66140452  0.34719036  0.54696478
   0.93667934  0.49325121  0.84582235
   1.11600015  0.53483020  0.58514661
   0.80453351  0.42420081  0.67860802
   0.75977592  0.11224032  0.90907261
   0.51208198  0.05957842  0.95078651
   0.52848928  0.55851325  0.03650479
   0.94453651  0.72766516  0.28822787
   0.60142885  0.81409994  0.04119261
   0.84529108  0.98953187  0.34229925
   0.97413338  0.93080858  0.17565049
   0.72093422  0.84684133  0.20971171
   0.81633829  0.60526483  0.42856983
   0.57098441  0.63531176  0.37366226
   0.61484358  0.59410006  0.55098554
   0.83418482  0.75647252  0.80942797
   0.70833195  0.83787233  0.48957558
   0.98764676  0.98108209  0.82574377
   1.01916684  0.81855977  0.67129410
   0.78498673  0.98911454  0.70299468
   0.76460894  0.62560431  0.97044890
   0.54336893  0.74027789  0.86623706
   0.76903933  0.77833878  0.64534083
   0.90875451  1.00429226  0.52091760
   0.94638743  0.27483868  0.12853046
   0.76488838  1.17559006  0.17693626
   0.31122130  0.06512192  0.65641759
   0.37501848  0.28430528  0.52200234
   0.48875520  1.37463602 -0.12470549
  -0.22370521  1.56897215  0.04546731
   0.71877408  0.36902455  0.85277932
   0.62237148  0.58984555  0.71888566
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.918281    0.151760   -0.148184
    -0.000000    9.590662   -0.061748
    -0.000000    0.000000   14.067898
   Si   O    H 
    32    64    10
Direct configuration=  3507
   0.14947529  0.18850837 -0.00391468
   0.34853233  0.11801711  0.39340737
   0.17962213  0.45717115  0.09850096
   0.38478808  0.35591710  0.24911209
   0.06222239  0.16972502  0.48215950
   0.40205223  0.10301444  0.87479367
   0.18472175  0.38158828  0.60564501
   0.38299147  0.38788677  0.75218626
   0.17090327  0.71970981  0.00339381
   0.40771130  0.61284544  0.37622510
   0.12895127  0.97248215  0.14423012
   0.35261118  0.88432513  0.27376288
   0.15477615  0.61331692  0.48074450
   0.38371296  0.69311889  0.82299460
   0.10175082  0.86983585  0.57735197
   0.37019217  0.92625182  0.67875809
   0.65391945  0.13214920  1.00043380
   0.81132353  0.16437249  0.34976512
   0.59884067  0.43423519  0.09793049
   0.90657458  0.39757071  0.16705779
   0.61454235  0.20071890  0.50420754
   0.91444020  0.12579670  0.86328110
   0.63814592  0.47312016  0.63639317
   0.84321512  0.38420745  0.78553085
   0.59304148  0.68352011 -0.02419681
   0.92803111  0.59123653  0.34594425
   0.60861985  0.90543598  0.13748952
   0.87619171  0.86737681  0.25370380
   0.68319930  0.67210940  0.46435797
   0.89153280  0.64511205  0.88790973
   0.69124113  0.90946020  0.60842436
   0.89485147  0.88404840  0.75336062
   0.16595385  0.11502963  0.09988781
   0.36191695  0.20087078  0.28728154
   0.16232488  0.35458960  0.00396290
   0.37689322  0.44728281  0.34841299
   0.51412879  0.38995331  0.19093626
   0.26579938  0.37282873  0.17747998
   0.20161309  0.14295707  0.43747883
  -0.05828096  0.21942012  0.41039906
   0.00765166  0.01346884  0.53083428
   0.43855284  0.26806067  0.83341284
   0.08715623  0.25217769  0.58051301
   0.39074718  0.51972137  0.82122797
   0.48289182  0.39626986  0.66434303
   0.23314275  0.35922937  0.71888144
   0.25572240  0.12779743 -0.07853848
   0.00594142  0.14341448  0.96302826
   0.25483740  0.59502612  0.06168368
   0.34739452  0.71759896  0.29359627
   0.17233739  0.85714992  0.06782726
   0.38925592  0.94898206  0.37488916
   0.46195093  0.92600316  0.18704035
   0.21587057  0.95937345  0.25042276
   0.30995835  0.64736935  0.46803817
   0.07522442  0.52936909  0.39084313
   0.29546789  0.37569385  0.52835660
   0.34059833  0.75922419  0.72354491
   0.05902224  0.76236363  0.48361139
   0.39909431  0.98234398  0.79558668
   0.53112773  0.91696440  0.64363612
   0.25347700  0.90773557  0.58539485
   0.29318403  0.72612952 -0.08037479
   0.01838348  0.70477616  0.95310343
   0.67713069  0.04885195  0.10511632
   0.79196482  0.22924731  0.23377996
   0.60944257  0.28933221  0.03006008
   0.88217766  0.45079957  0.29095606
   0.04410270  0.50880890  0.15105600
   0.75910395  0.47500832  0.12148347
   0.66420685  0.19154001  0.38767223
   0.45351268  0.19696729  0.47114431
   0.69867035  0.07801313  0.55590554
   0.93918481  0.24598100  0.79726740
   0.66037951  0.34694771  0.54773969
   0.93417950  0.49293552  0.84600261
   1.11605242  0.53579508  0.58456472
   0.80542378  0.42433109  0.67966610
   0.75854741  0.11302456  0.90987145
   0.51203187  0.05844472  0.95028097
   0.52845340  0.55837922  0.03836225
   0.94450002  0.72850851  0.28698331
   0.60207025  0.81540623  0.03973771
   0.84472657  0.99015019  0.34340713
   0.97452289  0.93030358  0.17662573
   0.71997684  0.84800110  0.20993754
   0.81599378  0.60511680  0.42972466
   0.57145045  0.63564058  0.37394700
   0.61421729  0.59409805  0.55062066
   0.83514148  0.75511740  0.80896917
   0.70888824  0.83808968  0.48915299
   0.98870927  0.97918488  0.82622584
   1.01833457  0.81712595  0.67083459
   0.78482093  0.98979722  0.70249360
   0.76318882  0.62606050  0.96888331
   0.54425997  0.73984567  0.86545407
   0.76619353  0.78561069  0.64841169
   0.90171882  0.99553503  0.52521967
   0.95023590  0.26071518  0.13196866
   0.76583574  1.17382742  0.17956789
   0.30783971  0.06973186  0.65785926
   0.37067826  0.28649198  0.51730141
   0.49953669  1.36541230 -0.11228905
  -0.22552304  1.57628074  0.04787745
   0.72114917  0.36493249  0.85563817
   0.62493391  0.58035189  0.71482893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.917227    0.152983   -0.146878
    -0.000000    9.590837   -0.061369
    -0.000000    0.000000   14.068873
   Si   O    H 
    32    64    10
Direct configuration=  3508
   0.14828394  0.18886298 -0.00320868
   0.34881836  0.11831579  0.39467085
   0.18011365  0.45604744  0.09784233
   0.38574363  0.35564986  0.24887709
   0.06253108  0.17022457  0.48330108
   0.40103104  0.10097379  0.87600802
   0.18619803  0.38118868  0.60511289
   0.38353407  0.38753640  0.75062092
   0.17150482  0.71916324  0.00325680
   0.40825676  0.61167853  0.37621639
   0.12899854  0.97366611  0.14505577
   0.35485498  0.88356372  0.27491052
   0.15221110  0.61387151  0.48046317
   0.38397432  0.69345145  0.82292829
   0.10020436  0.86838913  0.57756696
   0.37149966  0.92565876  0.67813701
   0.65409526  0.13269271  1.00212761
   0.81214161  0.16509990  0.34978204
   0.60001336  0.43252696  0.09798222
   0.90620340  0.39721565  0.16747762
   0.61485883  0.20016889  0.50394423
   0.91382204  0.12607490  0.86380941
   0.63898616  0.47341329  0.63682688
   0.84385361  0.38465482  0.78606299
   0.59402913  0.68305965 -0.02484499
   0.92810387  0.59071540  0.34645862
   0.60819376  0.90505108  0.13773313
   0.87778014  0.86674146  0.25337257
   0.68177266  0.67126899  0.46337868
   0.89200600  0.64475650  0.88759733
   0.69280527  0.91033770  0.60875076
   0.89543638  0.88403958  0.75170094
   0.16638721  0.11460094  0.09795626
   0.36190520  0.20251231  0.28748218
   0.16407869  0.35493480  0.00424227
   0.37877487  0.44490249  0.34867862
   0.51360602  0.38956497  0.18974035
   0.26616564  0.37402248  0.17764210
   0.20102328  0.14494768  0.43765372
  -0.05907772  0.21958096  0.41048364
   0.00803933  0.01258608  0.53053459
   0.43962044  0.27214842  0.83253585
   0.08729079  0.25290707  0.57830520
   0.39246707  0.51968080  0.82197616
   0.48348381  0.39662721  0.66411483
   0.23327902  0.35809291  0.71846492
   0.25578128  0.12802241 -0.07851035
   0.00384012  0.14398358  0.96310728
   0.25288249  0.59549998  0.06308275
   0.34847066  0.71762464  0.29248690
   0.17123903  0.85684253  0.06702067
   0.38907399  0.94911551  0.37528101
   0.46155221  0.92506379  0.18733734
   0.21530263  0.95930704  0.25029579
   0.30860980  0.64796410  0.46870961
   0.07774507  0.52902871  0.39033255
   0.29675009  0.37505351  0.52858819
   0.34007772  0.75765483  0.72516623
   0.05987946  0.76238385  0.48366628
   0.39985068  0.98066139  0.79515864
   0.53147519  0.91653558  0.64392889
   0.25254821  0.90950091  0.58604630
   0.29308148  0.72468228 -0.07974564
   0.01833242  0.70455596  0.95319519
   0.67960629  0.04887468  0.10543116
   0.79278243  0.22902367  0.23304035
   0.60928187  0.28834845  0.03100580
   0.88161540  0.44913356  0.28953571
   0.04551382  0.50906429  0.14988726
   0.75938068  0.47724683  0.11997881
   0.66353343  0.19138103  0.38775817
   0.45269761  0.19608169  0.47102683
   0.69742787  0.07797000  0.55520515
   0.93728217  0.24549869  0.79788550
   0.65908587  0.34698524  0.54815911
   0.93214075  0.49354125  0.84634210
   1.11688718  0.53648511  0.58398795
   0.80643725  0.42491179  0.68035368
   0.75770646  0.11420090  0.91051808
   0.51187373  0.05684216  0.95025037
   0.52951628  0.55847444  0.04022319
   0.94483351  0.72916906  0.28629158
   0.60266144  0.81732176  0.03824347
   0.84412770  0.99035653  0.34461304
   0.97456963  0.93014518  0.17681408
   0.71943438  0.84827082  0.21011058
   0.81664719  0.60440790  0.43074310
   0.57163669  0.63566329  0.37458125
   0.61332489  0.59427203  0.55073456
   0.83576636  0.75388054  0.80861045
   0.70892819  0.83839097  0.48857480
   0.98957204  0.97750849  0.82648935
   1.01742754  0.81580106  0.66995563
   0.78465081  0.99054325  0.70194332
   0.76185331  0.62701123  0.96800914
   0.54377491  0.74035315  0.86509367
   0.76145072  0.78944178  0.64900193
   0.90356727  0.99108721  0.53037996
   0.95460074  0.25236484  0.13187855
   0.76608778  1.16342913  0.18078495
   0.30717696  0.07760204  0.66139979
   0.36235290  0.29600460  0.51258582
   0.50748508  1.34677481 -0.10348421
  -0.22684013  1.58098818  0.04639068
   0.72832350  0.36389790  0.85642693
   0.62919256  0.56851664  0.71077639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.915759    0.154087   -0.145147
    -0.000000    9.590858   -0.060636
    -0.000000    0.000000   14.070223
   Si   O    H 
    32    64    10
Direct configuration=  3509
   0.14801178  0.18899276 -0.00253558
   0.34909567  0.11861623  0.39532431
   0.18110125  0.45490722  0.09687001
   0.38647629  0.35512203  0.24855571
   0.06246195  0.17079519  0.48437921
   0.39918404  0.09880716  0.87685233
   0.18769545  0.38160423  0.60513986
   0.38459838  0.38723377  0.74924728
   0.17212087  0.71864096  0.00318643
   0.40882470  0.61087620  0.37587289
   0.12920479  0.97408855  0.14604890
   0.35670797  0.88257008  0.27562309
   0.14870795  0.61404566  0.47998748
   0.38505504  0.69396378  0.82275219
   0.09884734  0.86686678  0.57783151
   0.37281192  0.92565078  0.67795235
   0.65457352  0.13201120  1.00340074
   0.81265232  0.16503984  0.34965225
   0.60083391  0.43048842  0.09805858
   0.90669366  0.39713333  0.16819928
   0.61505029  0.19990614  0.50355468
   0.91373805  0.12535024  0.86461154
   0.63963897  0.47314069  0.63693070
   0.84378873  0.38494263  0.78661908
   0.59488450  0.68275443 -0.02572150
   0.92809856  0.58961137  0.34715437
   0.60758600  0.90491143  0.13805437
   0.87877960  0.86660455  0.25361733
   0.68078664  0.67076541  0.46245082
   0.89289933  0.64415541  0.88749023
   0.69441319  0.91065027  0.60912047
   0.89646678  0.88416859  0.74993471
   0.16705628  0.11450035  0.09639540
   0.36306705  0.20259418  0.28805363
   0.16612739  0.35562397  0.00499419
   0.38134078  0.44336802  0.34886930
   0.51443772  0.38963051  0.18863091
   0.26621261  0.37475851  0.17754652
   0.20098190  0.14612143  0.43739515
  -0.05841875  0.21994322  0.41060614
   0.00804627  0.01142414  0.53009000
   0.44143237  0.27546890  0.83213189
   0.08775918  0.25498711  0.57635869
   0.39336843  0.51998150  0.82276504
   0.48372219  0.39611425  0.66378263
   0.23265261  0.35661835  0.71776205
   0.25533233  0.12788899 -0.07862325
   0.00101920  0.14369345  0.96294818
   0.25091514  0.59645545  0.06452008
   0.35021154  0.71691169  0.29135948
   0.17006567  0.85646305  0.06604484
   0.38902718  0.95066725  0.37581963
   0.46067236  0.92418392  0.18770460
   0.21423620  0.95960968  0.25014268
   0.30810695  0.64790893  0.46921411
   0.08028337  0.52873183  0.39006610
   0.29808582  0.37430883  0.52867596
   0.33955790  0.75650224  0.72653211
   0.06151948  0.76209671  0.48364431
   0.39987573  0.97982408  0.79450666
   0.53239983  0.91594285  0.64430253
   0.25177671  0.91065285  0.58656357
   0.29334082  0.72434610 -0.07935431
   0.01832406  0.70483431  0.95299105
   0.68193955  0.04906128  0.10543009
   0.79395478  0.22805969  0.23232314
   0.60885695  0.28819562  0.03163758
   0.88090076  0.44711690  0.28778583
   0.04563306  0.50902234  0.14861454
   0.75917663  0.47970155  0.11816466
   0.66329570  0.19097447  0.38872464
   0.45162281  0.19524853  0.47071395
   0.69703062  0.07791369  0.55434216
   0.93596664  0.24582115  0.79780818
   0.65669547  0.34702866  0.54841177
   0.93035234  0.49456395  0.84648355
   1.11828461  0.53734938  0.58319785
   0.80735300  0.42461916  0.68086326
   0.75711866  0.11507874  0.91132541
   0.51292783  0.05678161  0.95080142
   0.53110699  0.55813615  0.04209519
   0.94626200  0.72883105  0.28512814
   0.60293696  0.81932425  0.03744450
   0.84378043  0.99046131  0.34587135
   0.97489185  0.92958288  0.17653496
   0.71887460  0.84845791  0.21084728
   0.81772196  0.60343685  0.43204308
   0.57114167  0.63565342  0.37549309
   0.61225496  0.59319118  0.55109045
   0.83587869  0.75176614  0.80860534
   0.70856664  0.83828682  0.48758617
   0.99003317  0.97634319  0.82647972
   1.01627114  0.81455433  0.66924891
   0.78451300  0.99102899  0.70117379
   0.76078682  0.62743210  0.96761742
   0.54280565  0.73987291  0.86554107
   0.75533990  0.78489571  0.64899127
   0.91183482  0.99006754  0.53470450
   0.95720171  0.24900707  0.13281030
   0.76488015  1.15352461  0.18286864
   0.30920223  0.07992703  0.66570348
   0.35671232  0.30934051  0.50804312
   0.50852156  1.32500771 -0.10325224
  -0.22551959  1.58423522  0.04106910
   0.73314238  0.36340884  0.85455647
   0.63412703  0.56614542  0.71075011
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.914023    0.155111   -0.143450
    -0.000000    9.591116   -0.059722
    -0.000000    0.000000   14.071529
   Si   O    H 
    32    64    10
Direct configuration=  3510
   0.14792334  0.18896840 -0.00205816
   0.34969340  0.11915103  0.39559872
   0.18194001  0.45374801  0.09604684
   0.38771284  0.35443108  0.24863103
   0.06189704  0.17153173  0.48482525
   0.39813738  0.09645138  0.87721482
   0.18812599  0.38204263  0.60468445
   0.38597374  0.38774203  0.74799318
   0.17334743  0.71830617  0.00304146
   0.40932904  0.61039636  0.37586544
   0.12967002  0.97429052  0.14701165
   0.35856380  0.88193801  0.27614208
   0.14549316  0.61403449  0.47968000
   0.38571665  0.69483343  0.82353088
   0.09695420  0.86506966  0.57829270
   0.37413727  0.92536859  0.67740322
   0.65488999  0.13101802  1.00459416
   0.81352679  0.16496190  0.34909301
   0.60137371  0.42827075  0.09780843
   0.90743814  0.39743633  0.16910939
   0.61558430  0.19927618  0.50304825
   0.91341441  0.12383650  0.86560822
   0.63985739  0.47281480  0.63615186
   0.84343358  0.38537764  0.78683602
   0.59510851  0.68229721 -0.02663835
   0.92814144  0.58828227  0.34772484
   0.60660441  0.90518771  0.13835071
   0.87956812  0.86713526  0.25421808
   0.67925853  0.66981608  0.46183315
   0.89362469  0.64334215  0.88763881
   0.69573122  0.91052895  0.60917661
   0.89749848  0.88454329  0.74833562
   0.16741976  0.11471328  0.09533798
   0.36448945  0.20191014  0.28905821
   0.16743122  0.35666193  0.00601035
   0.38414798  0.44181875  0.34882952
   0.51562624  0.39014771  0.18736732
   0.26653875  0.37556517  0.17718129
   0.20139026  0.14641747  0.43674359
  -0.05785383  0.22071607  0.41071110
   0.00787885  0.01024454  0.53002075
   0.44413744  0.27826990  0.83296455
   0.08823332  0.25793554  0.57536159
   0.39406003  0.52082137  0.82346142
   0.48429203  0.39561965  0.66329198
   0.23168961  0.35546323  0.71715347
   0.25463665  0.12772688 -0.07864197
  -0.00188783  0.14337540  0.96279715
   0.24958059  0.59723211  0.06502357
   0.35075270  0.71709214  0.29034967
   0.16928855  0.85671125  0.06462207
   0.38914034  0.95209240  0.37614815
   0.45952561  0.92396786  0.18836098
   0.21359240  0.95958863  0.24926172
   0.30832981  0.64692241  0.46969537
   0.08224266  0.52939285  0.38941840
   0.29873730  0.37421957  0.52899171
   0.33856789  0.75723761  0.72761381
   0.06337216  0.76254222  0.48378832
   0.39991378  0.97942570  0.79369452
   0.53352216  0.91579679  0.64415961
   0.25111713  0.91137757  0.58730729
   0.29322553  0.72503776 -0.07865123
   0.01783281  0.70568126  0.95335112
   0.68539990  0.04910899  0.10526954
   0.79489739  0.22741764  0.23194690
   0.60817071  0.28881546  0.03179277
   0.88011216  0.44626029  0.28635406
   0.04548131  0.50817480  0.14742002
   0.75947779  0.48203439  0.11614560
   0.66292960  0.19012890  0.38979220
   0.44945323  0.19467515  0.47082302
   0.69685407  0.07755958  0.55415795
   0.93518907  0.24750650  0.79719314
   0.65484310  0.34724794  0.54879711
   0.92847849  0.49597064  0.84708208
   1.11986044  0.53819811  0.58237745
   0.80827717  0.42493267  0.68157478
   0.75614526  0.11660251  0.91268019
   0.51407873  0.05733905  0.95184953
   0.53304579  0.55764875  0.04335178
   0.94730562  0.72850689  0.28395554
   0.60279166  0.82165330  0.03717326
   0.84428401  0.99128879  0.34714372
   0.97543839  0.92988352  0.17602465
   0.71888903  0.84786316  0.21233935
   0.81996630  0.60230373  0.43300595
   0.57061685  0.63573788  0.37669035
   0.61131347  0.59318116  0.55187366
   0.83616626  0.74999394  0.80879735
   0.70748231  0.83808266  0.48654276
   0.99062122  0.97462414  0.82633240
   1.01499333  0.81304183  0.66831325
   0.78545292  0.99226962  0.70097468
   0.75988183  0.62777225  0.96767913
   0.54179010  0.73994800  0.86610201
   0.74936528  0.77619302  0.64935020
   0.91538526  0.99025960  0.53837707
   0.95740995  0.25333019  0.13129693
   0.76255344  1.14679012  0.18494339
   0.31611526  0.08027459  0.67198111
   0.36195502  0.30907546  0.49881268
   0.50472650  1.30588027 -0.10694217
  -0.22309036  1.58453924  0.03769403
   0.73223921  0.36479793  0.85074124
   0.63649363  0.56988534  0.71906768
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.912749    0.155745   -0.141902
    -0.000000    9.591326   -0.058752
    -0.000000    0.000000   14.072521
   Si   O    H 
    32    64    10
Direct configuration=  3511
   0.14844517  0.18837032 -0.00138936
   0.34984279  0.12005380  0.39615060
   0.18262955  0.45276339  0.09550698
   0.38812932  0.35349652  0.24898429
   0.06096599  0.17225976  0.48524331
   0.39747452  0.09419455  0.87738804
   0.18822753  0.38310394  0.60422327
   0.38746890  0.38865887  0.74678628
   0.17421923  0.71814492  0.00298032
   0.40880846  0.61010776  0.37581140
   0.13002378  0.97445217  0.14789578
   0.36018221  0.88112205  0.27613886
   0.14300624  0.61360422  0.47963606
   0.38621148  0.69551399  0.82459935
   0.09486410  0.86320527  0.57844771
   0.37479549  0.92525470  0.67725546
   0.65436908  0.12971063  1.00507838
   0.81407516  0.16497056  0.34830295
   0.60209704  0.42680638  0.09805306
   0.90777713  0.39782709  0.17031744
   0.61633725  0.19875169  0.50243061
   0.91339337  0.12180712  0.86671382
   0.64015952  0.47265195  0.63538233
   0.84302581  0.38574011  0.78718734
   0.59504242  0.68136271 -0.02794387
   0.92816215  0.58603982  0.34842012
   0.60639683  0.90550208  0.13831155
   0.87980797  0.86772111  0.25486214
   0.67763378  0.66918974  0.46136006
   0.89360130  0.64284332  0.88773706
   0.69693796  0.91126506  0.60860561
   0.89791359  0.88436240  0.74670425
   0.16731173  0.11482665  0.09424372
   0.36585363  0.20030402  0.29030787
   0.16878398  0.35762342  0.00649095
   0.38638829  0.44086465  0.34898160
   0.51610927  0.39017309  0.18643192
   0.26762763  0.37602340  0.17608149
   0.20123621  0.14704819  0.43589171
  -0.05659702  0.22190073  0.41125492
   0.00885739  0.00925308  0.52989667
   0.44716504  0.27949926  0.83412528
   0.08741704  0.26164914  0.57494359
   0.39435522  0.52210655  0.82424087
   0.48506148  0.39499096  0.66295707
   0.23101069  0.35406837  0.71664957
   0.25408904  0.12770241 -0.07850843
  -0.00373012  0.14334249  0.96275948
   0.24820077  0.59831841  0.06570746
   0.35096215  0.71721400  0.28956008
   0.16816068  0.85701964  0.06367020
   0.38939439  0.95334712  0.37639306
   0.45860116  0.92378546  0.18945133
   0.21254428  0.95971645  0.24836146
   0.30912708  0.64583297  0.46981626
   0.08375336  0.53052999  0.38890976
   0.30077767  0.37471893  0.52921157
   0.33773628  0.75816869  0.72797509
   0.06593939  0.76362428  0.48382577
   0.40008452  0.97970574  0.79347327
   0.53379989  0.91608597  0.64420013
   0.25050578  0.91133652  0.58807580
   0.29306756  0.72542798 -0.07816743
   0.01732848  0.70746801  0.95418566
   0.68915505  0.05023224  0.10513162
   0.79624252  0.22625772  0.23186487
   0.60770080  0.28838449  0.03188540
   0.87923100  0.44521192  0.28512629
   0.04487672  0.50716568  0.14606526
   0.75919999  0.48374425  0.11447995
   0.66313825  0.18942644  0.39093028
   0.44722175  0.19501181  0.47121000
   0.69700462  0.07676776  0.55414557
   0.93497047  0.24933978  0.79670994
   0.65331593  0.34616727  0.54966010
   0.92657209  0.49759873  0.84808076
   1.12170680  0.53929124  0.58179637
   0.80830996  0.42548096  0.68164548
   0.75556691  0.11846613  0.91386094
   0.51555007  0.05838481  0.95268967
   0.53493533  0.55705229  0.04435088
   0.94819505  0.72780649  0.28333974
   0.60346680  0.82422667  0.03688585
   0.84496879  0.99202929  0.34800434
   0.97575442  0.92981597  0.17565980
   0.71890882  0.84739162  0.21387726
   0.82189803  0.60164639  0.43455468
   0.57009661  0.63680231  0.37767064
   0.61084670  0.59257127  0.55263152
   0.83645916  0.74872866  0.80889610
   0.70717626  0.83702907  0.48581331
   0.99030451  0.97396439  0.82606754
   1.01360832  0.81192032  0.66775128
   0.78658880  0.99240611  0.70145317
   0.75925502  0.62895940  0.96703733
   0.54090885  0.73913443  0.86602651
   0.74307973  0.76690508  0.64876722
   0.90477540  0.99324944  0.54106696
   0.95651709  0.26671284  0.12649854
   0.76624559  1.14597647  0.19000622
   0.32539676  0.07892015  0.67673955
   0.36944660  0.30507153  0.49118210
   0.50067483  1.28858324 -0.11315364
  -0.21974123  1.58087996  0.03859606
   0.72444367  0.36955208  0.84972594
   0.63820439  0.57289278  0.72574190
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.911193    0.156661   -0.140413
    -0.000000    9.591325   -0.057513
    -0.000000    0.000000   14.073561
   Si   O    H 
    32    64    10
Direct configuration=  3512
   0.14835770  0.18791107 -0.00157695
   0.34992632  0.12095225  0.39649090
   0.18342992  0.45188317  0.09564022
   0.38768385  0.35249590  0.24955656
   0.06002952  0.17302169  0.48527663
   0.39708955  0.09163396  0.87740450
   0.18779226  0.38384394  0.60380422
   0.38907774  0.38941101  0.74634522
   0.17518194  0.71888742  0.00302955
   0.40815569  0.60971845  0.37584441
   0.13029752  0.97445998  0.14912297
   0.36104403  0.88049795  0.27586657
   0.14107846  0.61354543  0.47937177
   0.38705062  0.69605519  0.82601749
   0.09319311  0.86173571  0.57840359
   0.37562753  0.92474827  0.67715398
   0.65341314  0.12838896  1.00578536
   0.81442492  0.16486500  0.34767667
   0.60290883  0.42574651  0.09839540
   0.90792451  0.39864643  0.17159677
   0.61637613  0.19851891  0.50174756
   0.91381230  0.12007912  0.86776645
   0.64128282  0.47240918  0.63489593
   0.84184149  0.38619744  0.78759945
   0.59484458  0.68049043 -0.02922466
   0.92884066  0.58420393  0.34870985
   0.60643847  0.90606720  0.13864443
   0.87902271  0.86902114  0.25540620
   0.67616761  0.66832949  0.46100358
   0.89366178  0.64275548  0.88807745
   0.69753535  0.91220325  0.60759662
   0.89811839  0.88422278  0.74553264
   0.16744857  0.11450025  0.09409461
   0.36821270  0.19919858  0.29091837
   0.17021529  0.35775841  0.00682086
   0.38873957  0.44031266  0.34895053
   0.51699016  0.38965263  0.18520917
   0.26875924  0.37677505  0.17559137
   0.20175968  0.14745270  0.43495658
  -0.05563341  0.22270827  0.41211567
   0.00878723  0.00811502  0.53016176
   0.44906915  0.27923173  0.83423638
   0.08636816  0.26489707  0.57440003
   0.39439745  0.52222866  0.82475052
   0.48676284  0.39409831  0.66219918
   0.23153489  0.35309796  0.71641010
   0.25403095  0.12788491 -0.07880870
  -0.00495804  0.14346056  0.96352086
   0.24691649  0.59900682  0.06624545
   0.35036073  0.71770245  0.28853846
   0.16741609  0.85712118  0.06312103
   0.38957311  0.95461290  0.37666934
   0.45881072  0.92323072  0.18979340
   0.21174597  0.95993670  0.24728892
   0.31020780  0.64500823  0.46991939
   0.08455951  0.53218770  0.38886634
   0.30323826  0.37491003  0.52889224
   0.33765043  0.75980967  0.72813383
   0.06795945  0.76500525  0.48420711
   0.40068600  0.98063860  0.79339271
   0.53399181  0.91602696  0.64484205
   0.25064344  0.91099517  0.58852205
   0.29242805  0.72559377 -0.07751046
   0.01731952  0.70892929  0.95457963
   0.69277125  0.05088126  0.10499813
   0.79667839  0.22497302  0.23225685
   0.60720334  0.28811583  0.03144390
   0.87880058  0.44465717  0.28425348
   0.04371885  0.50629526  0.14462528
   0.75956877  0.48566011  0.11241370
   0.66358342  0.18919577  0.39203980
   0.44606226  0.19578406  0.47162078
   0.69681211  0.07477559  0.55415768
   0.93381440  0.25006366  0.79598086
   0.65199069  0.34505772  0.55022415
   0.92457240  0.49866996  0.84897218
   1.12331309  0.54116434  0.58118884
   0.80850535  0.42515961  0.68128035
   0.75481031  0.12007751  0.91532112
   0.51800831  0.05935763  0.95439263
   0.53664202  0.55637395  0.04461404
   0.94924482  0.72674615  0.28225189
   0.60405966  0.82641422  0.03674130
   0.84571968  0.99269379  0.34840194
   0.97525281  0.93021383  0.17508536
   0.71913365  0.84675462  0.21537935
   0.82388488  0.59974072  0.43603394
   0.56954168  0.63835035  0.37842200
   0.61090929  0.59241823  0.55342657
   0.83672632  0.74786343  0.80865175
   0.70698490  0.83599971  0.48541859
   0.98966955  0.97455382  0.82470599
   1.01129355  0.81164760  0.66767481
   0.78688615  0.99193799  0.70212345
   0.75828412  0.63008935  0.96623721
   0.53986120  0.73801975  0.86628070
   0.73782154  0.76026893  0.64787582
   0.90495746  0.99774364  0.54236133
   0.95590732  0.27789411  0.12108468
   0.76977905  1.14845780  0.19603503
   0.33414517  0.08001527  0.67986053
   0.36854573  0.30703199  0.48620260
   0.51120994  1.28152087 -0.10654558
  -0.21786245  1.57542928  0.03981009
   0.71720390  0.37734911  0.84764680
   0.63884229  0.57225154  0.72748809
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.909342    0.156816   -0.139225
    -0.000000    9.591104   -0.056036
    -0.000000    0.000000   14.074502
   Si   O    H 
    32    64    10
Direct configuration=  3513
   0.14795768  0.18788458 -0.00211902
   0.34964203  0.12163207  0.39668508
   0.18436332  0.45236315  0.09603593
   0.38744824  0.35163627  0.25006755
   0.05933963  0.17337731  0.48484680
   0.39738386  0.08887847  0.87706153
   0.18778894  0.38433859  0.60370788
   0.39038079  0.39012979  0.74625573
   0.17616781  0.71950805  0.00273012
   0.40747521  0.60959013  0.37573108
   0.13037032  0.97350944  0.15037161
   0.36118654  0.88007757  0.27580362
   0.14017731  0.61355588  0.47911793
   0.38744627  0.69606309  0.82729716
   0.09128942  0.86109447  0.57836943
   0.37653670  0.92450444  0.67722697
   0.65256292  0.12732291  1.00639913
   0.81449108  0.16474689  0.34725372
   0.60398382  0.42455924  0.09887622
   0.90730345  0.39918969  0.17272528
   0.61653496  0.19817379  0.50122039
   0.91411589  0.11832836  0.86913325
   0.64246453  0.47239145  0.63469883
   0.84012126  0.38679743  0.78794707
   0.59507182  0.67986773 -0.03023188
   0.92992332  0.58196247  0.34888079
   0.60642463  0.90566750  0.13884710
   0.87794011  0.87087553  0.25621815
   0.67443155  0.66756567  0.46097930
   0.89410095  0.64338492  0.88864428
   0.69826324  0.91260988  0.60698682
   0.89784315  0.88448926  0.74469880
   0.16784453  0.11348454  0.09427914
   0.37107600  0.19720768  0.29216935
   0.17141976  0.35645724  0.00685686
   0.39163083  0.44006608  0.34917193
   0.51706861  0.39016615  0.18454987
   0.26982949  0.37744331  0.17486366
   0.20119888  0.14742919  0.43353162
  -0.05605481  0.22427376  0.41313342
   0.00724891  0.00788646  0.53063086
   0.44958938  0.27784478  0.83426087
   0.08510897  0.26809039  0.57426386
   0.39393638  0.52162517  0.82509932
   0.48812820  0.39291987  0.66121949
   0.23245371  0.35132862  0.71593917
   0.25457211  0.12823934 -0.07915912
  -0.00524940  0.14397859  0.96399921
   0.24531309  0.60024198  0.06607276
   0.35011200  0.71753750  0.28767879
   0.16660603  0.85627375  0.06286320
   0.38945974  0.95612403  0.37670442
   0.45935375  0.92257884  0.18997225
   0.21089988  0.95993220  0.24601199
   0.31060384  0.64456848  0.46916248
   0.08455973  0.53373131  0.38834726
   0.30673099  0.37440688  0.52884196
   0.33778606  0.76225871  0.72804190
   0.06943191  0.76642357  0.48467576
   0.40109307  0.98061580  0.79363210
   0.53403187  0.91611196  0.64530998
   0.24980434  0.90994092  0.58925628
   0.29236217  0.72678634 -0.07726865
   0.01658459  0.70930606  0.95532224
   0.69590492  0.05174824  0.10448341
   0.79743312  0.22480485  0.23314576
   0.60640410  0.28853179  0.03074125
   0.87816263  0.44429349  0.28386426
   0.04110232  0.50610380  0.14336558
   0.76058919  0.48694935  0.11012213
   0.66511696  0.18912783  0.39309248
   0.44535627  0.19763041  0.47278599
   0.69607629  0.07261150  0.55464844
   0.93243562  0.25009470  0.79563452
   0.65103350  0.34420238  0.55038385
   0.92289606  0.49966224  0.85022289
   1.12442501  0.54227250  0.58066240
   0.80894814  0.42549430  0.68044893
   0.75366862  0.12186279  0.91686626
   0.51931424  0.06161931  0.95567435
   0.53892248  0.55639953  0.04457033
   0.95053296  0.72645240  0.28203435
   0.60489540  0.82804989  0.03687896
   0.84652151  0.99310813  0.34863161
   0.97484477  0.93164390  0.17472242
   0.71964372  0.84624249  0.21657894
   0.82594505  0.59815809  0.43728350
   0.56959955  0.63998217  0.37935247
   0.61021012  0.59316478  0.55424289
   0.83730783  0.74755787  0.80829940
   0.70722666  0.83452291  0.48474049
   0.98863824  0.97480051  0.82307012
   1.00791837  0.81043312  0.66781684
   0.78737823  0.99116338  0.70298269
   0.75820006  0.63159416  0.96557883
   0.53849803  0.73665729  0.86680383
   0.73529903  0.76038027  0.64370585
   0.91257722  1.00420003  0.54072365
   0.95409045  0.28634555  0.11569765
   0.77060688  1.13657653  0.19178665
   0.33410023  0.07809549  0.67881809
   0.36480556  0.30914874  0.48550229
   0.52059036  1.28374316 -0.10537273
  -0.22082571  1.56912583  0.04006512
   0.70953083  0.38331384  0.84494459
   0.63625665  0.56914377  0.72131581
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.906945    0.157845   -0.138324
    -0.000000    9.590752   -0.053924
    -0.000000    0.000000   14.075126
   Si   O    H 
    32    64    10
Direct configuration=  3514
   0.14770511  0.18822837 -0.00281800
   0.34933143  0.12218746  0.39633296
   0.18533418  0.45276539  0.09605282
   0.38660435  0.35082727  0.25091330
   0.05836973  0.17438929  0.48469830
   0.39786046  0.08656805  0.87720031
   0.18863583  0.38560483  0.60371287
   0.39075720  0.39087404  0.74682635
   0.17722418  0.72094128  0.00215690
   0.40721620  0.60941363  0.37598456
   0.13025078  0.97247573  0.15113765
   0.36171841  0.87981155  0.27584302
   0.14021255  0.61425196  0.47867266
   0.38686501  0.69618907  0.82840001
   0.08942076  0.86030202  0.57832294
   0.37740446  0.92421116  0.67752747
   0.65183891  0.12643792  1.00654567
   0.81394844  0.16472179  0.34644427
   0.60498123  0.42395377  0.09934237
   0.90702253  0.40011772  0.17379608
   0.61695292  0.19784499  0.50080928
   0.91441231  0.11678171  0.86979701
   0.64374340  0.47218266  0.63458941
   0.83868958  0.38724733  0.78775788
   0.59516782  0.67904196 -0.03046427
   0.93147392  0.58016295  0.34886563
   0.60697824  0.90557462  0.13925455
   0.87702891  0.87211953  0.25674886
   0.67262410  0.66733286  0.46126920
   0.89406873  0.64517428  0.88900992
   0.69881298  0.91253913  0.60670476
   0.89807366  0.88397957  0.74430408
   0.16884717  0.11214455  0.09447537
   0.37343991  0.19476097  0.29355558
   0.17190133  0.35414426  0.00646791
   0.39411279  0.44022025  0.34906037
   0.51713901  0.39050376  0.18418454
   0.27097258  0.37734417  0.17393407
   0.20079632  0.14729512  0.43221717
  -0.05661958  0.22530872  0.41373601
   0.00674415  0.00876964  0.53097633
   0.44982035  0.27581592  0.83454830
   0.08310113  0.27078692  0.57393797
   0.39298351  0.52056096  0.82520583
   0.48879483  0.39266324  0.65981699
   0.23386882  0.34908871  0.71547182
   0.25442771  0.12913644 -0.07955039
  -0.00541717  0.14439811  0.96476312
   0.24375674  0.60077927  0.06657737
   0.35007621  0.71703219  0.28614076
   0.16589477  0.85621902  0.06264637
   0.39025259  0.95735143  0.37703211
   0.46059926  0.92251358  0.18947953
   0.21014832  0.95912992  0.24527957
   0.31116523  0.64431065  0.46809453
   0.08456507  0.53521227  0.38765338
   0.31017862  0.37433341  0.52891054
   0.33736095  0.76494323  0.72767582
   0.07065930  0.76845147  0.48527114
   0.40139970  0.98126665  0.79364020
   0.53479150  0.91652970  0.64516858
   0.24897788  0.90857967  0.59040138
   0.29197960  0.72897869 -0.07730880
   0.01532258  0.70996249  0.95548767
   0.69847160  0.05222698  0.10382864
   0.79769907  0.22327269  0.23434466
   0.60594094  0.28865441  0.02981506
   0.87823997  0.44454126  0.28379725
   0.03882181  0.50544569  0.14192509
   0.76173314  0.48756461  0.10822818
   0.66718413  0.18910468  0.39343517
   0.44604724  0.19951493  0.47375320
   0.69497094  0.06963180  0.55419692
   0.93098724  0.24941727  0.79540407
   0.65062865  0.34297576  0.55112962
   0.92112454  0.50060956  0.85103731
   1.12537053  0.54296304  0.58067203
   0.80881065  0.42621096  0.67805533
   0.75264952  0.12314862  0.91795736
   0.52058119  0.06378767  0.95664169
   0.54129985  0.55727518  0.04409100
   0.95154672  0.72644786  0.28161438
   0.60494450  0.82905633  0.03692324
   0.84758723  0.99347397  0.34812645
   0.97469047  0.93342571  0.17376219
   0.72021122  0.84660248  0.21794944
   0.82887719  0.59699626  0.43850969
   0.56937094  0.64115784  0.37972922
   0.61064906  0.59434316  0.55436178
   0.83775935  0.74796224  0.80748220
   0.70795178  0.83301138  0.48422477
   0.98693137  0.97474453  0.82185522
   1.00440620  0.80923368  0.66800144
   0.78724558  0.99042849  0.70349691
   0.75837700  0.63325170  0.96503539
   0.53759818  0.73432374  0.86733284
   0.73275097  0.76613969  0.63674109
   0.90640521  1.00994151  0.53925949
   0.95140242  0.29015437  0.11035815
   0.77536087  1.13355697  0.18966976
   0.33442754  0.08179167  0.67650740
   0.36050275  0.31309628  0.48956689
   0.52742996  1.29078308 -0.11238352
  -0.22714668  1.55893634  0.03826238
   0.70186971  0.38630072  0.84125468
   0.63452275  0.56373445  0.71331809
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.904434    0.159236   -0.137437
    -0.000000    9.590418   -0.052392
    -0.000000    0.000000   14.075510
   Si   O    H 
    32    64    10
Direct configuration=  3515
   0.14691941  0.18876986 -0.00362523
   0.34949627  0.12279510  0.39570308
   0.18537713  0.45323296  0.09672183
   0.38565146  0.34985803  0.25178427
   0.05708410  0.17522942  0.48478074
   0.39836461  0.08487482  0.87748783
   0.18896115  0.38695720  0.60353922
   0.39078434  0.39245229  0.74762819
   0.17765801  0.72211175  0.00172829
   0.40755346  0.61010722  0.37636985
   0.12971920  0.97104900  0.15124132
   0.36130339  0.87978639  0.27579685
   0.14154453  0.61534111  0.47825144
   0.38580108  0.69630695  0.82921650
   0.08837770  0.85973023  0.57837544
   0.37863447  0.92390768  0.67785524
   0.65187268  0.12599471  1.00669647
   0.81362601  0.16441298  0.34535179
   0.60606039  0.42361139  0.09942930
   0.90669712  0.40119442  0.17444158
   0.61712925  0.19768192  0.50045536
   0.91399402  0.11537368  0.87046653
   0.64466876  0.47223149  0.63417268
   0.83757879  0.38824391  0.78791677
   0.59530049  0.67830540 -0.03050374
   0.93316875  0.57871805  0.34846634
   0.60807771  0.90583022  0.13994400
   0.87616786  0.87335001  0.25717102
   0.67180413  0.66811967  0.46164008
   0.89460066  0.64696651  0.88968637
   0.69866749  0.91229407  0.60605678
   0.89775157  0.88312134  0.74390082
   0.16958598  0.11099026  0.09508554
   0.37622853  0.19273673  0.29459651
   0.17303634  0.35123014  0.00597912
   0.39655178  0.44013136  0.34863512
   0.51691520  0.39176087  0.18464122
   0.27211459  0.37733759  0.17384975
   0.20030666  0.14772939  0.43121911
  -0.05765867  0.22648363  0.41380164
   0.00605324  0.01042136  0.53125171
   0.45011496  0.27278536  0.83504167
   0.08143101  0.27311182  0.57333340
   0.39130203  0.51993161  0.82514632
   0.48944004  0.39298665  0.65829771
   0.23510943  0.34704652  0.71480991
   0.25399846  0.13038100 -0.07983227
  -0.00433091  0.14508267  0.96564928
   0.24287675  0.60139156  0.06685783
   0.34947991  0.71649859  0.28514850
   0.16517213  0.85679147  0.06268235
   0.39075992  0.95854766  0.37757647
   0.46132117  0.92263517  0.18909115
   0.21091178  0.95784358  0.24474600
   0.31121164  0.64412223  0.46663678
   0.08463929  0.53655387  0.38662975
   0.31296064  0.37361296  0.52922318
   0.33821940  0.76783045  0.72670916
   0.07213116  0.77019566  0.48489146
   0.40268634  0.98128791  0.79459730
   0.53573673  0.91705387  0.64552308
   0.24757341  0.90695924  0.59146641
   0.29111633  0.73101600 -0.07779935
   0.01370027  0.70999417  0.95561387
   0.70063611  0.05235548  0.10317703
   0.79804928  0.22238334  0.23468339
   0.60507151  0.28791197  0.02881638
   0.87866312  0.44557987  0.28374761
   0.03703193  0.50442899  0.14053123
   0.76350228  0.48739325  0.10615763
   0.67010901  0.18920844  0.39359850
   0.44653899  0.19985430  0.47450643
   0.69287977  0.06699765  0.55349255
   0.93022568  0.24838737  0.79532982
   0.65063198  0.34212100  0.55140237
   0.91956767  0.50128154  0.85149693
   1.12567621  0.54389257  0.58063747
   0.80895286  0.42754357  0.67520917
   0.75335732  0.12419245  0.91880438
   0.52080419  0.06511359  0.95701365
   0.54341299  0.55856564  0.04312281
   0.95245317  0.72632854  0.28176872
   0.60468739  0.83012163  0.03711148
   0.84916808  0.99316721  0.34715637
   0.97386690  0.93489751  0.17315578
   0.72085515  0.84735475  0.21911384
   0.83129047  0.59643252  0.44047720
   0.56838186  0.64259079  0.37987023
   0.61232226  0.59445995  0.55439916
   0.83819117  0.74917534  0.80664245
   0.70874981  0.83109298  0.48345212
   0.98514044  0.97506412  0.82054915
   1.00127992  0.80856976  0.66839205
   0.78710829  0.98946058  0.70372748
   0.75845758  0.63433266  0.96513291
   0.53687562  0.73222345  0.86761697
   0.73362671  0.77140940  0.63049816
   0.90267136  1.01582066  0.53775639
   0.94534726  0.28992180  0.10537007
   0.77881102  1.13706703  0.19006295
   0.33347399  0.08704437  0.67200210
   0.36189044  0.31230360  0.49463196
   0.52659681  1.30135234 -0.12406936
  -0.23210130  1.55060666  0.03737695
   0.69662008  0.38585458  0.83805908
   0.63209323  0.56066037  0.71012563
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901467    0.161376   -0.136509
    -0.000000    9.590092   -0.050684
    -0.000000    0.000000   14.075730
   Si   O    H 
    32    64    10
Direct configuration=  3516
   0.14645881  0.18892093 -0.00463296
   0.34993048  0.12331791  0.39504367
   0.18484706  0.45363948  0.09733970
   0.38568693  0.34904846  0.25212473
   0.05569324  0.17598020  0.48458093
   0.39936792  0.08310801  0.87803171
   0.18995967  0.38820371  0.60332912
   0.39162208  0.39400389  0.74873319
   0.17725816  0.72325770  0.00128917
   0.40753080  0.61048377  0.37658299
   0.12908081  0.97026646  0.15122292
   0.36133003  0.88004675  0.27638742
   0.14314622  0.61719721  0.47756207
   0.38453931  0.69654929  0.82964946
   0.08787528  0.85942126  0.57895218
   0.37968433  0.92375150  0.67841488
   0.65223680  0.12558340  1.00652264
   0.81412428  0.16395314  0.34420745
   0.60667774  0.42348293  0.09929993
   0.90659264  0.40216489  0.17503918
   0.61705801  0.19795470  0.50028483
   0.91279177  0.11474752  0.87088846
   0.64514271  0.47212769  0.63369900
   0.83609618  0.38909836  0.78806652
   0.59527781  0.67846104 -0.03008530
   0.93484005  0.57791082  0.34818468
   0.60910222  0.90634451  0.14024226
   0.87495970  0.87412609  0.25755372
   0.67161931  0.66842951  0.46228671
   0.89473148  0.64930308  0.89019227
   0.69819193  0.91189204  0.60540798
   0.89774510  0.88240658  0.74348961
   0.17046934  0.11040526  0.09614631
   0.37906120  0.19084881  0.29513542
   0.17449037  0.34837008  0.00496143
   0.39935460  0.44090802  0.34872499
   0.51658688  0.39299800  0.18514256
   0.27290603  0.37732326  0.17344643
   0.20034258  0.14784793  0.43091603
  -0.05847521  0.22670816  0.41373627
   0.00470327  0.01147155  0.53148745
   0.45017400  0.26994443  0.83558115
   0.07940630  0.27499040  0.57304313
   0.38927521  0.51965135  0.82521990
   0.48924965  0.39285031  0.65674114
   0.23640454  0.34490176  0.71402583
   0.25369463  0.13178478 -0.08072379
  -0.00311729  0.14589816  0.96645985
   0.24214164  0.60160774  0.06708370
   0.34927205  0.71582042  0.28442039
   0.16398535  0.85774381  0.06274593
   0.39146634  0.95927979  0.37774018
   0.46203843  0.92197245  0.18897480
   0.21245465  0.95645573  0.24486375
   0.31044722  0.64355341  0.46539340
   0.08408925  0.53777384  0.38557249
   0.31436276  0.37341464  0.52950708
   0.33963712  0.77066316  0.72659636
   0.07430482  0.77168389  0.48473568
   0.40431567  0.98014081  0.79484471
   0.53667506  0.91631831  0.64636389
   0.24606494  0.90497618  0.59215189
   0.29030820  0.73206723 -0.07835091
   0.01315868  0.70988777  0.95581709
   0.70216977  0.05277918  0.10272362
   0.79895350  0.22134464  0.23453610
   0.60449280  0.28770549  0.02754465
   0.87873812  0.44626636  0.28365640
   0.03506752  0.50284598  0.13950820
   0.76553178  0.48628880  0.10471213
   0.67207055  0.18890848  0.39346741
   0.44689251  0.19935664  0.47553990
   0.69095440  0.06500048  0.55262252
   0.92901350  0.24595170  0.79518431
   0.65101318  0.34083656  0.55172421
   0.91849538  0.50048249  0.85155375
   1.12614935  0.54455987  0.58082991
   0.80947203  0.42900915  0.67244751
   0.75382416  0.12437827  0.91902371
   0.52038964  0.06647658  0.95734830
   0.54445728  0.55982114  0.04175438
   0.95304245  0.72556240  0.28248086
   0.60427771  0.83005907  0.03697991
   0.84975448  0.99243016  0.34583119
   0.97294587  0.93549468  0.17312508
   0.72070732  0.84782720  0.22037286
   0.83250658  0.59601541  0.44236885
   0.56632799  0.64388417  0.37970529
   0.61342778  0.59448034  0.55425085
   0.83819175  0.75052815  0.80619516
   0.70846423  0.82953909  0.48263594
   0.98359272  0.97538598  0.81951792
   0.99884800  0.80733948  0.66861768
   0.78700667  0.98861674  0.70409654
   0.75955431  0.63609523  0.96498762
   0.53646493  0.72984123  0.86786510
   0.74139403  0.77612882  0.62520290
   0.90216509  1.02217170  0.53575838
   0.93929475  0.28698447  0.10103474
   0.78085153  1.14901400  0.18971579
   0.33459146  0.08871848  0.66821498
   0.37047043  0.30045903  0.49378754
   0.52723695  1.31160122 -0.13417618
  -0.23503395  1.54662657  0.03514234
   0.69634522  0.38565685  0.83208125
   0.62949216  0.56914254  0.71779152
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.898663    0.163866   -0.135328
    -0.000000    9.589594   -0.048738
    -0.000000    0.000000   14.075886
   Si   O    H 
    32    64    10
Direct configuration=  3517
   0.14621720  0.18802274 -0.00527889
   0.35019761  0.12337348  0.39436622
   0.18437778  0.45384788  0.09780845
   0.38551217  0.34846813  0.25275854
   0.05519011  0.17619631  0.48459466
   0.40002079  0.08217113  0.87852547
   0.19093309  0.38968307  0.60292037
   0.39205506  0.39524940  0.74975592
   0.17700707  0.72437194  0.00108732
   0.40769889  0.61105697  0.37638785
   0.12847273  0.96932187  0.15110744
   0.36117771  0.87993101  0.27680637
   0.14462778  0.61841879  0.47662364
   0.38283077  0.69674755  0.83000358
   0.08760273  0.85917896  0.57980037
   0.38088730  0.92400439  0.67865942
   0.65273009  0.12482172  1.00604850
   0.81501647  0.16348737  0.34343607
   0.60662254  0.42292735  0.09889684
   0.90678950  0.40220017  0.17543367
   0.61701409  0.19880588  0.50059907
   0.91145689  0.11432198  0.87140300
   0.64555690  0.47154114  0.63346768
   0.83508847  0.38938926  0.78812401
   0.59607859  0.67923930 -0.02952944
   0.93582104  0.57701037  0.34787118
   0.61006446  0.90670428  0.14079546
   0.87453420  0.87517578  0.25806632
   0.67231598  0.66845765  0.46327609
   0.89476827  0.65214595  0.89025820
   0.69768228  0.91138787  0.60462206
   0.89798001  0.88140648  0.74328608
   0.17086266  0.10967190  0.09813496
   0.38214727  0.18981232  0.29549656
   0.17622121  0.34609351  0.00417874
   0.40214493  0.44198900  0.34931257
   0.51687084  0.39363462  0.18572060
   0.27215325  0.37746433  0.17362321
   0.19990870  0.14821270  0.43025986
  -0.05977261  0.22639410  0.41351855
   0.00336684  0.01271144  0.53186445
   0.44975279  0.26683625  0.83565234
   0.07759750  0.27684456  0.57276685
   0.38832509  0.51912890  0.82554595
   0.48784463  0.39316410  0.65493933
   0.23915076  0.34325249  0.71338047
   0.25380720  0.13278506 -0.08236829
  -0.00131809  0.14664478  0.96713323
   0.24185441  0.60180589  0.06744822
   0.34847721  0.71438524  0.28345692
   0.16304953  0.85960353  0.06323828
   0.39183503  0.95963798  0.37813743
   0.46265725  0.92133774  0.18871957
   0.21386909  0.95495814  0.24501410
   0.31002633  0.64264439  0.46418868
   0.08393341  0.53844669  0.38488933
   0.31560027  0.37407552  0.52977790
   0.34008891  0.77246482  0.72636488
   0.07600774  0.77333580  0.48415705
   0.40596396  0.97946744  0.79527192
   0.53853299  0.91547255  0.64715436
   0.24399959  0.90385864  0.59341361
   0.28919464  0.73348244 -0.07838714
   0.01401516  0.70995495  0.95602709
   0.70295903  0.05297766  0.10173367
   0.79985691  0.22141623  0.23518141
   0.60478338  0.28769758  0.02641278
   0.87754058  0.44662794  0.28343300
   0.03277348  0.50134756  0.13841804
   0.76717724  0.48509427  0.10332891
   0.67319845  0.18819261  0.39312984
   0.44741071  0.19772499  0.47640452
   0.68863956  0.06347395  0.55217409
   0.92709181  0.24318842  0.79516660
   0.65146144  0.33900819  0.55099275
   0.91790925  0.49917246  0.85172732
   1.12580094  0.54430007  0.58152869
   0.80990947  0.43070161  0.66995919
   0.75420000  0.12384577  0.91826057
   0.51883531  0.06752167  0.95745769
   0.54495634  0.56068977  0.04022287
   0.95259349  0.72519668  0.28348647
   0.60391389  0.82985682  0.03669126
   0.84993244  0.99128653  0.34408197
   0.97103042  0.93676120  0.17386242
   0.72096093  0.84799602  0.22119213
   0.83337184  0.59556765  0.44383817
   0.56445523  0.64459700  0.37929822
   0.61334617  0.59463141  0.55451750
   0.83849081  0.75156482  0.80574102
   0.70818207  0.82828697  0.48220398
   0.98238149  0.97641321  0.81874402
   0.99687681  0.80716645  0.66872568
   0.78699668  0.98790178  0.70376490
   0.75948897  0.63797278  0.96450044
   0.53620272  0.72817706  0.86823002
   0.75215860  0.77023250  0.62348808
   0.90437694  1.02351662  0.53377822
   0.93163483  0.28542923  0.09988493
   0.78481015  1.15140421  0.18336085
   0.33820536  0.08778960  0.66536380
   0.37802902  0.29037835  0.49488920
   0.52743935  1.32217987 -0.13758453
  -0.23365251  1.54862052  0.03285221
   0.70033003  0.38760187  0.82702548
   0.62839444  0.57803903  0.72486260
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.895799    0.167508   -0.134112
    -0.000000    9.589123   -0.046794
    -0.000000    0.000000   14.075625
   Si   O    H 
    32    64    10
Direct configuration=  3518
   0.14655732  0.18709867 -0.00582527
   0.35012095  0.12325187  0.39375271
   0.18390213  0.45379271  0.09807000
   0.38547018  0.34859544  0.25326295
   0.05499343  0.17655121  0.48454555
   0.39969325  0.08175753  0.87917828
   0.19169369  0.39012861  0.60227015
   0.39185111  0.39627899  0.75056138
   0.17714229  0.72525807  0.00088428
   0.40760722  0.61160011  0.37550873
   0.12762651  0.96782697  0.15067697
   0.36101728  0.87945590  0.27742766
   0.14669613  0.61947664  0.47585285
   0.38176320  0.69688266  0.82990337
   0.08719683  0.85944361  0.58005513
   0.38193148  0.92451381  0.67907379
   0.65339957  0.12440942  1.00520958
   0.81580961  0.16305608  0.34271976
   0.60640926  0.42265506  0.09811319
   0.90740707  0.40180487  0.17533181
   0.61701960  0.19952906  0.50118754
   0.91008130  0.11456430  0.87210957
   0.64602076  0.47091020  0.63343420
   0.83419352  0.38942195  0.78799808
   0.59661518  0.68045244 -0.02833784
   0.93638207  0.57666821  0.34778713
   0.61076142  0.90705260  0.14141543
   0.87361274  0.87597927  0.25845637
   0.67390090  0.66846256  0.46428083
   0.89454708  0.65511310  0.88992337
   0.69738796  0.91092674  0.60405365
   0.89762356  0.88008559  0.74322693
   0.17139596  0.10977322  0.10038598
   0.38518512  0.18966434  0.29538330
   0.17774201  0.34492193  0.00318607
   0.40459966  0.44354790  0.34949408
   0.51675931  0.39377196  0.18696397
   0.27087108  0.37818114  0.17411200
   0.19940842  0.14845751  0.42987928
  -0.06149061  0.22599455  0.41345712
   0.00164617  0.01476081  0.53211472
   0.44904823  0.26348323  0.83612186
   0.07572479  0.27924314  0.57335881
   0.38789611  0.51921357  0.82541655
   0.48632926  0.39305617  0.65394202
   0.24132395  0.34210724  0.71256617
   0.25463029  0.13303275 -0.08423571
  -0.00031460  0.14735652  0.96725961
   0.24166178  0.60128003  0.06777951
   0.34801942  0.71251463  0.28314782
   0.16204318  0.86108606  0.06355831
   0.39297563  0.95940153  0.37894622
   0.46246194  0.91993248  0.18853286
   0.21540719  0.95381034  0.24519152
   0.30882592  0.64257266  0.46307196
   0.08458971  0.53920758  0.38389739
   0.31591262  0.37438706  0.52971346
   0.34111107  0.77390919  0.72643425
   0.07775771  0.77479111  0.48397328
   0.40755016  0.97917541  0.79530729
   0.53960598  0.91487407  0.64778329
   0.24154046  0.90313576  0.59443621
   0.28863661  0.73496359 -0.07832203
   0.01626477  0.70984189  0.95587356
   0.70349446  0.05366886  0.10101681
   0.80165753  0.22221420  0.23511267
   0.60550094  0.28737339  0.02510290
   0.87663977  0.44795240  0.28350916
   0.03046529  0.49925116  0.13778362
   0.76879822  0.48353079  0.10202616
   0.67387989  0.18859195  0.39275433
   0.44869552  0.19611323  0.47729720
   0.68631505  0.06305058  0.55137036
   0.92453238  0.24063371  0.79526996
   0.65187519  0.33759292  0.55010204
   0.91781268  0.49682555  0.85126994
   1.12481349  0.54458111  0.58253054
   0.81059976  0.43204817  0.66895721
   0.75547884  0.12287205  0.91729885
   0.51705273  0.06775672  0.95784988
   0.54495651  0.56192276  0.03835142
   0.95167287  0.72472382  0.28471112
   0.60431693  0.82919404  0.03670808
   0.85063304  0.99006891  0.34242818
   0.96973227  0.93795563  0.17466133
   0.72059007  0.84806235  0.22134387
   0.83462728  0.59454232  0.44474166
   0.56292783  0.64593806  0.37871210
   0.61304251  0.59513743  0.55436532
   0.83896477  0.75308264  0.80582674
   0.70723146  0.82686401  0.48195963
   0.98126743  0.97734233  0.81866437
   0.99572030  0.80688997  0.66801279
   0.78683893  0.98602601  0.70251031
   0.75977532  0.63894045  0.96426083
   0.53583460  0.72687239  0.86921156
   0.76367226  0.76074489  0.62336122
   0.90344614  1.02354107  0.53516889
   0.92155170  0.28690184  0.10271391
   0.78741052  1.15062894  0.17644218
   0.34007805  0.08524074  0.66235851
   0.38185563  0.28613030  0.49717286
   0.52596792  1.32562534 -0.13769302
  -0.22600921  1.55204757  0.03168775
   0.70584997  0.38729330  0.82471906
   0.63186553  0.58193150  0.72615063
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.893260    0.170534   -0.133299
    -0.000000    9.588716   -0.044814
    -0.000000    0.000000   14.075783
   Si   O    H 
    32    64    10
Direct configuration=  3519
   0.14726495  0.18573153 -0.00596731
   0.35113218  0.12281374  0.39330309
   0.18348294  0.45451094  0.09856339
   0.38608982  0.34881856  0.25368816
   0.05530556  0.17744337  0.48498195
   0.39951110  0.08156187  0.87987949
   0.19159751  0.39036585  0.60145060
   0.39164922  0.39769552  0.75094504
   0.17698007  0.72655306  0.00067826
   0.40732980  0.61177092  0.37500627
   0.12727418  0.96671970  0.14989997
   0.36017999  0.87977482  0.27777879
   0.14830105  0.62030643  0.47509396
   0.38080536  0.69726731  0.83021958
   0.08734468  0.86052523  0.58017640
   0.38291005  0.92491118  0.67926282
   0.65432620  0.12387766  1.00415047
   0.81646845  0.16216989  0.34221610
   0.60645486  0.42249742  0.09718130
   0.90773101  0.40110623  0.17499029
   0.61693749  0.20017074  0.50165551
   0.90870518  0.11481952  0.87248265
   0.64677002  0.47056470  0.63308477
   0.83318552  0.38901826  0.78763896
   0.59711800  0.68278648 -0.02756177
   0.93659679  0.57751614  0.34726611
   0.61188459  0.90791750  0.14210795
   0.87317964  0.87687985  0.25908767
   0.67580578  0.66837623  0.46530328
   0.89387770  0.65802615  0.88950291
   0.69672132  0.91078462  0.60364433
   0.89789260  0.87925890  0.74376915
   0.17165149  0.11143936  0.10209042
   0.38815529  0.19013609  0.29524015
   0.18020059  0.34383716  0.00272251
   0.40676024  0.44538882  0.34915578
   0.51678290  0.39313835  0.18816348
   0.26838604  0.37861787  0.17528434
   0.19906301  0.14904548  0.42937643
  -0.06419987  0.22573818  0.41313785
   0.00031799  0.01777368  0.53260070
   0.44915706  0.26164142  0.83646991
   0.07407545  0.28168194  0.57362167
   0.38695330  0.51941703  0.82573116
   0.48500396  0.39401207  0.65383255
   0.24402160  0.34188264  0.71211033
   0.25489724  0.13293504 -0.08559241
  -0.00029161  0.14750317  0.96762532
   0.24103210  0.60065314  0.06835579
   0.34869921  0.71129314  0.28218226
   0.16151832  0.86208865  0.06391116
   0.39414328  0.95903363  0.37975490
   0.46205175  0.91835971  0.18800188
   0.21672509  0.95275550  0.24522088
   0.30803590  0.64232923  0.46201277
   0.08615123  0.54036604  0.38273956
   0.31546452  0.37511941  0.52992981
   0.34195882  0.77378837  0.72634508
   0.07952764  0.77567757  0.48383510
   0.40860556  0.97859379  0.79434070
   0.54000823  0.91400771  0.64791231
   0.23942580  0.90292102  0.59512578
   0.28871965  0.73659384 -0.07809726
   0.01809583  0.70994641  0.95567813
   0.70344044  0.05376292  0.10097647
   0.80362890  0.22189480  0.23466993
   0.60642761  0.28684760  0.02416366
   0.87576946  0.44961336  0.28307158
   0.02853304  0.49650703  0.13700600
   0.77027303  0.48247507  0.10033346
   0.67431220  0.18947143  0.39236812
   0.44909502  0.19313212  0.47830975
   0.68354819  0.06268518  0.55057795
   0.92242502  0.23901754  0.79514968
   0.65275862  0.33666408  0.54951339
   0.91794295  0.49582940  0.85074433
   1.12450585  0.54514504  0.58337874
   0.81110080  0.43348489  0.66850149
   0.75708814  0.12165490  0.91672620
   0.51439988  0.06765613  0.95820930
   0.54448406  0.56264618  0.03704882
   0.95046467  0.72517335  0.28625890
   0.60481316  0.82798703  0.03631277
   0.85222607  0.98903276  0.34110579
   0.96884481  0.93939854  0.17496594
   0.71971044  0.84743265  0.22122165
   0.83593312  0.59354131  0.44527099
   0.56229883  0.64769442  0.37854662
   0.61287665  0.59481301  0.55392928
   0.83954355  0.75380336  0.80603085
   0.70540646  0.82579779  0.48200002
   0.98054637  0.97830596  0.81902187
   0.99523259  0.80684624  0.66694366
   0.78672997  0.98422585  0.70074203
   0.76005430  0.64040815  0.96371519
   0.53512215  0.72602298  0.86978047
   0.77269933  0.75543205  0.62344716
   0.90053371  1.02115577  0.53615897
   0.91331929  0.28812770  0.10625681
   0.79083067  1.15315603  0.17412502
   0.34530690  0.08238241  0.65986718
   0.37781544  0.28737144  0.50155883
   0.52144865  1.31768310 -0.13534006
  -0.22004779  1.55809825  0.03044525
   0.70452930  0.38563801  0.82560125
   0.63770609  0.58092051  0.72146015
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.890510    0.173084   -0.132301
    -0.000000    9.587920   -0.043556
    -0.000000    0.000000   14.075861
   Si   O    H 
    32    64    10
Direct configuration=  3520
   0.14746764  0.18472513 -0.00587953
   0.35220976  0.12206606  0.39262072
   0.18254755  0.45554855  0.09868923
   0.38615891  0.34952129  0.25399506
   0.05557463  0.17803239  0.48583283
   0.39916847  0.08185295  0.88036219
   0.19163350  0.39055728  0.60086757
   0.39222175  0.39866937  0.75122681
   0.17620045  0.72834530  0.00029420
   0.40675512  0.61201326  0.37382960
   0.12671779  0.96551432  0.14930658
   0.35947251  0.88032699  0.27856960
   0.14921171  0.62059148  0.47488293
   0.38054852  0.69756452  0.83019511
   0.08712733  0.86208473  0.58022725
   0.38362913  0.92523833  0.67890305
   0.65526286  0.12415137  1.00345998
   0.81668738  0.16125656  0.34186310
   0.60664006  0.42213845  0.09647256
   0.90726971  0.40064831  0.17432050
   0.61622666  0.19995635  0.50239526
   0.90755322  0.11497266  0.87266676
   0.64764103  0.46997212  0.63306140
   0.83261889  0.38857726  0.78704702
   0.59720050  0.68498091 -0.02702130
   0.93670626  0.57818262  0.34714615
   0.61282886  0.90904504  0.14253811
   0.87272559  0.87744445  0.25926205
   0.67814527  0.66810232  0.46638052
   0.89319255  0.66003228  0.88897416
   0.69564232  0.91065721  0.60374283
   0.89773013  0.87921847  0.74400719
   0.17235822  0.11314149  0.10366586
   0.39059688  0.19078563  0.29481761
   0.18252694  0.34427757  0.00246583
   0.40837389  0.44759548  0.34873740
   0.51637272  0.39241100  0.18930249
   0.26610535  0.37844714  0.17686950
   0.19860664  0.15018192  0.42851379
  -0.06678734  0.22663574  0.41281608
  -0.00047694  0.02074601  0.53303222
   0.44894257  0.26039063  0.83662602
   0.07206938  0.28341439  0.57349754
   0.38574377  0.52015529  0.82636780
   0.48325806  0.39467116  0.65402926
   0.24636658  0.34220137  0.71111809
   0.25399793  0.13248215 -0.08726194
  -0.00042710  0.14739091  0.96767426
   0.24110626  0.60084459  0.06854237
   0.34953184  0.70965851  0.28146858
   0.16211418  0.86249704  0.06431840
   0.39485002  0.95824259  0.37998359
   0.46188905  0.91689337  0.18716396
   0.21890570  0.95152978  0.24525010
   0.30741244  0.64146091  0.46164893
   0.08803112  0.54091051  0.38193069
   0.31430808  0.37562277  0.53003861
   0.34172244  0.77273905  0.72648263
   0.08145092  0.77594251  0.48341364
   0.40946847  0.97817282  0.79442027
   0.54100664  0.91284056  0.64781767
   0.23736102  0.90290410  0.59549751
   0.28845428  0.73819193 -0.07804905
   0.01872452  0.70989673  0.95537001
   0.70276032  0.05363804  0.10084049
   0.80537638  0.22131302  0.23432183
   0.60664254  0.28662337  0.02356167
   0.87522346  0.45056247  0.28277198
   0.02703752  0.49406749  0.13645513
   0.77137081  0.48159905  0.09865676
   0.67394581  0.19075228  0.39188623
   0.44965779  0.19063133  0.47870908
   0.68101196  0.06257966  0.54985639
   0.92052359  0.23788202  0.79504567
   0.65385443  0.33628255  0.54962193
   0.91833034  0.49474964  0.85014163
   1.12420954  0.54619266  0.58490326
   0.81153608  0.43489296  0.66854184
   0.75886940  0.12031941  0.91619899
   0.51264239  0.06757579  0.95838247
   0.54427504  0.56263288  0.03537220
   0.94976997  0.72584849  0.28776852
   0.60491581  0.82656936  0.03640921
   0.85402381  0.98913026  0.34007593
   0.96827668  0.94166956  0.17508651
   0.71924717  0.84671365  0.22112672
   0.83719498  0.59234327  0.44503122
   0.56156819  0.64916978  0.37898166
   0.61205193  0.59383175  0.55377853
   0.84005600  0.75523233  0.80608576
   0.70409611  0.82552271  0.48201562
   0.97968825  0.97911249  0.81951544
   0.99520250  0.80731705  0.66628726
   0.78679665  0.98241186  0.69875850
   0.76065019  0.64061480  0.96355900
   0.53446961  0.72437275  0.87004863
   0.77561632  0.75699507  0.62589546
   0.89436488  1.01960487  0.53761883
   0.90713375  0.28979770  0.10652625
   0.79246673  1.15849565  0.17824231
   0.34741416  0.08018325  0.65767297
   0.37297579  0.29193515  0.50713452
   0.52111082  1.30269649 -0.12872779
  -0.21886117  1.56063752  0.03307945
   0.69513292  0.38735172  0.83047297
   0.64473251  0.57599578  0.71249511
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.887790    0.175506   -0.131539
    -0.000000    9.587172   -0.042627
    -0.000000    0.000000   14.075993
   Si   O    H 
    32    64    10
Direct configuration=  3521
   0.14789961  0.18372418 -0.00621868
   0.35263401  0.12128640  0.39270263
   0.18187538  0.45671547  0.09885953
   0.38647856  0.34987651  0.25449646
   0.05624821  0.17861105  0.48657638
   0.39905159  0.08277832  0.88037586
   0.19159853  0.39022827  0.60013126
   0.39309563  0.39903157  0.75109473
   0.17507852  0.72982366 -0.00024892
   0.40646674  0.61238352  0.37232016
   0.12573498  0.96492631  0.14836988
   0.35888899  0.88026964  0.27870637
   0.14983977  0.62038096  0.47523424
   0.38040794  0.69780452  0.83013907
   0.08642991  0.86411816  0.58019918
   0.38400738  0.92548234  0.67874796
   0.65629562  0.12407016  1.00239418
   0.81636820  0.16047946  0.34183921
   0.60695714  0.42203820  0.09587811
   0.90583796  0.39997305  0.17333732
   0.61608239  0.19956573  0.50290924
   0.90621382  0.11493416  0.87225290
   0.64840362  0.46964584  0.63300044
   0.83183335  0.38782303  0.78626741
   0.59691615  0.68712915 -0.02679396
   0.93612298  0.57845481  0.34727538
   0.61386939  0.90988236  0.14278684
   0.87208424  0.87785990  0.25918209
   0.68037743  0.66700569  0.46698806
   0.89286003  0.66048920  0.88862378
   0.69455864  0.90968334  0.60408224
   0.89731785  0.87928417  0.74431724
   0.17273998  0.11540176  0.10463675
   0.39181376  0.19230026  0.29428294
   0.18478099  0.34501461  0.00263101
   0.40946571  0.44884860  0.34810999
   0.51647807  0.39135119  0.19115939
   0.26397899  0.37822978  0.17930664
   0.19812184  0.15030308  0.42776411
  -0.06799316  0.22820076  0.41244673
  -0.00108124  0.02428072  0.53364435
   0.44806061  0.25869787  0.83669867
   0.07038939  0.28488610  0.57332951
   0.38477730  0.52239440  0.82690823
   0.48162069  0.39484795  0.65452498
   0.24866408  0.34245803  0.70957918
   0.25244515  0.13194652 -0.08887104
  -0.00094021  0.14786155  0.96739820
   0.24008759  0.60195079  0.06879181
   0.35148275  0.70808243  0.28112575
   0.16278974  0.86362408  0.06485585
   0.39543176  0.95673505  0.37983029
   0.46169901  0.91529097  0.18650068
   0.22075687  0.95030962  0.24538034
   0.30730168  0.64057190  0.46147798
   0.08969965  0.54233659  0.38161781
   0.31303408  0.37540510  0.52942608
   0.34127422  0.77093466  0.72611715
   0.08357034  0.77648776  0.48339741
   0.40997693  0.97836110  0.79477203
   0.54211452  0.91112858  0.64734798
   0.23548646  0.90167101  0.59598080
   0.28820629  0.73986280 -0.07859251
   0.01906846  0.70908599  0.95475920
   0.70133488  0.05320303  0.10120076
   0.80673637  0.22083672  0.23426286
   0.60693546  0.28720709  0.02285540
   0.87472937  0.45183257  0.28217196
   0.02652114  0.49242614  0.13608057
   0.77094580  0.48027680  0.09672438
   0.67310349  0.19250007  0.39136769
   0.44948512  0.18864125  0.47919781
   0.67889680  0.06269135  0.54969984
   0.91827770  0.23675514  0.79500828
   0.65491131  0.33598459  0.54967045
   0.91942932  0.49470001  0.84998947
   1.12437768  0.54687318  0.58671072
   0.81206189  0.43558476  0.66912277
   0.76007264  0.11926461  0.91537642
   0.51170820  0.06842564  0.95874958
   0.54430091  0.56223278  0.03423295
   0.94868499  0.72717961  0.28992030
   0.60501216  0.82548065  0.03729753
   0.85549128  0.99039649  0.33969436
   0.96711398  0.94318077  0.17556474
   0.71846294  0.84648687  0.22125829
   0.83825201  0.59115024  0.44453281
   0.56193665  0.64998998  0.37896082
   0.61093943  0.59262391  0.55412731
   0.84003916  0.75570765  0.80606043
   0.70315671  0.82685490  0.48240276
   0.97873317  0.98049055  0.81970767
   0.99531497  0.80865271  0.66549201
   0.78611431  0.98060654  0.69654972
   0.76089610  0.64149835  0.96312368
   0.53349974  0.72313725  0.87047411
   0.77393611  0.76668113  0.62554386
   0.89640858  1.01938058  0.53768924
   0.90509955  0.28291079  0.10333860
   0.79083882  1.15732003  0.18356699
   0.34969542  0.07863145  0.65398160
   0.36787051  0.29649082  0.51140069
   0.52810015  1.29488908 -0.11724400
  -0.22113624  1.56270659  0.03415148
   0.68936781  0.39015770  0.83658303
   0.65015260  0.57101028  0.70795665
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.884759    0.177663   -0.131016
    -0.000000    9.586717   -0.041930
    -0.000000    0.000000   14.075809
   Si   O    H 
    32    64    10
Direct configuration=  3522
   0.14935002  0.18231811 -0.00630331
   0.35253946  0.12072880  0.39305796
   0.18201022  0.45683465  0.09907269
   0.38663218  0.35029787  0.25488017
   0.05713866  0.17929718  0.48712410
   0.39869772  0.08380363  0.88036748
   0.19214652  0.38960330  0.59981564
   0.39366691  0.39875652  0.75123670
   0.17366951  0.73070541 -0.00064080
   0.40661081  0.61304712  0.37100623
   0.12456795  0.96491483  0.14777685
   0.35927941  0.87959971  0.27895156
   0.15040736  0.61997485  0.47612725
   0.38073507  0.69788107  0.82979445
   0.08506932  0.86551998  0.58037660
   0.38450501  0.92585790  0.67882844
   0.65616211  0.12390484  1.00122299
   0.81674807  0.15981034  0.34228021
   0.60755704  0.42220627  0.09529311
   0.90373241  0.39906682  0.17237979
   0.61602692  0.19887260  0.50276700
   0.90602397  0.11500401  0.87228368
   0.64897776  0.46949043  0.63331046
   0.83096490  0.38732520  0.78502845
   0.59713309  0.68956140 -0.02655866
   0.93559636  0.57843324  0.34735929
   0.61426232  0.91050702  0.14298462
   0.87174286  0.87731641  0.25916442
   0.68237407  0.66686357  0.46762414
   0.89253948  0.66052054  0.88861737
   0.69339936  0.90871600  0.60425641
   0.89704945  0.87971474  0.74475069
   0.17227899  0.11744810  0.10522213
   0.39227872  0.19370644  0.29418507
   0.18633327  0.34656926  0.00313414
   0.40981231  0.44989760  0.34723315
   0.51636065  0.39036274  0.19238336
   0.26261414  0.37673900  0.18201482
   0.19813385  0.14976147  0.42693846
  -0.06910403  0.22994002  0.41229679
  -0.00173099  0.02715510  0.53466132
   0.44838263  0.25700071  0.83726047
   0.06885205  0.28618666  0.57368736
   0.38421153  0.52386033  0.82722410
   0.48022990  0.39554974  0.65518719
   0.25094358  0.34371794  0.70788872
   0.25060603  0.13136910 -0.09010108
  -0.00202853  0.14916335  0.96676488
   0.23922865  0.60339590  0.06904361
   0.35333206  0.70705309  0.28084436
   0.16399459  0.86455932  0.06516730
   0.39635595  0.95443218  0.38023098
   0.46275521  0.91254902  0.18482479
   0.22184177  0.94987127  0.24519999
   0.30773613  0.63913910  0.46120621
   0.09050311  0.54321115  0.38174409
   0.31167447  0.37576927  0.52900660
   0.34176021  0.76823962  0.72620770
   0.08598950  0.77699549  0.48321824
   0.41070279  0.97833816  0.79502065
   0.54368445  0.90889819  0.64656136
   0.23360047  0.90115848  0.59661843
   0.28796770  0.74186688 -0.07937625
   0.02019182  0.70775882  0.95443156
   0.69958415  0.05327557  0.10179266
   0.80827328  0.22043833  0.23455483
   0.60719212  0.28791545  0.02241396
   0.87394135  0.45416513  0.28164556
   0.02612295  0.49137219  0.13543417
   0.77081550  0.47886501  0.09565723
   0.67337427  0.19501686  0.39030580
   0.44947688  0.18670263  0.47969472
   0.67796365  0.06236232  0.54957183
   0.91630760  0.23609246  0.79497747
   0.65669520  0.33641290  0.54961655
   0.92124079  0.49542469  0.84982184
   1.12501673  0.54750295  0.58818335
   0.81343471  0.43576694  0.67077405
   0.76109955  0.11802335  0.91471217
   0.51147063  0.06873382  0.95950160
   0.54363279  0.56124061  0.03315621
   0.94743041  0.72922513  0.29210456
   0.60447766  0.82483347  0.03802597
   0.85689627  0.99137268  0.33958158
   0.96555574  0.94453665  0.17602136
   0.71779997  0.84624548  0.22118166
   0.83853587  0.58934678  0.44396925
   0.56286134  0.64984909  0.37889564
   0.60965196  0.59122008  0.55415827
   0.84009376  0.75619140  0.80624768
   0.70228147  0.82842145  0.48291415
   0.97817220  0.98198163  0.81989376
   0.99577631  0.81086855  0.66482771
   0.78521031  0.97949409  0.69432805
   0.76166927  0.64292702  0.96239707
   0.53373364  0.72173621  0.87075324
   0.76525781  0.77582526  0.62466337
   0.90114791  1.02269889  0.53695777
   0.90816834  0.27607466  0.10146861
   0.78633365  1.14997471  0.18201897
   0.35068150  0.07722267  0.65446014
   0.36881580  0.29520957  0.51306345
   0.53006269  1.28502723 -0.10981443
  -0.22077972  1.56690654  0.03100714
   0.69077998  0.39325702  0.83939274
   0.65256595  0.57089633  0.71005644
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.881880    0.179338   -0.130396
    -0.000000    9.586208   -0.041352
    -0.000000    0.000000   14.075913
   Si   O    H 
    32    64    10
Direct configuration=  3523
   0.15091304  0.18143368 -0.00605699
   0.35226862  0.12038078  0.39334359
   0.18127508  0.45718021  0.09927651
   0.38668139  0.35112834  0.25541501
   0.05856927  0.17986278  0.48716714
   0.39771658  0.08526939  0.87951954
   0.19289010  0.38839121  0.60003442
   0.39464913  0.39798111  0.75172135
   0.17258984  0.73173039 -0.00100550
   0.40677456  0.61365217  0.36986979
   0.12392312  0.96493353  0.14672195
   0.36002492  0.87873409  0.27921420
   0.15088729  0.61970257  0.47744746
   0.38131533  0.69833847  0.82890419
   0.08398880  0.86700963  0.58052970
   0.38461675  0.92627276  0.67908767
   0.65677540  0.12438799  1.00018813
   0.81751799  0.15926759  0.34283704
   0.60756714  0.42286849  0.09496652
   0.90209487  0.39751499  0.17105953
   0.61647038  0.19876306  0.50239492
   0.90590098  0.11516018  0.87193319
   0.64987198  0.46852749  0.63353497
   0.83014755  0.38646097  0.78383923
   0.59727550  0.69148628 -0.02641311
   0.93563763  0.57952456  0.34752673
   0.61512849  0.91106688  0.14257085
   0.87167982  0.87616509  0.25906930
   0.68391121  0.66678418  0.46775060
   0.89218742  0.65996547  0.88882175
   0.69268974  0.90726041  0.60440809
   0.89685320  0.88042097  0.74532292
   0.17123066  0.11925966  0.10569398
   0.39256043  0.19490053  0.29447353
   0.18788302  0.34846767  0.00399803
   0.41026903  0.45050786  0.34647868
   0.51706561  0.38831313  0.19255478
   0.26190019  0.37508967  0.18434007
   0.19752228  0.14968794  0.42671198
  -0.07013866  0.23159764  0.41197360
  -0.00153037  0.02925293  0.53581830
   0.44919898  0.25568566  0.83799396
   0.06643622  0.28765319  0.57343367
   0.38406476  0.52609035  0.82733340
   0.47951713  0.39673384  0.65582268
   0.25285502  0.34502627  0.70636620
   0.24860004  0.13041649 -0.09051974
  -0.00339534  0.15027474  0.96579242
   0.23827190  0.60416572  0.06899329
   0.35460971  0.70715458  0.28015564
   0.16526656  0.86536384  0.06546687
   0.39704898  0.95287709  0.38013089
   0.46351147  0.91032833  0.18310280
   0.22273757  0.94993295  0.24496568
   0.30840243  0.63813371  0.46170010
   0.09163139  0.54394776  0.38221602
   0.31048232  0.37566916  0.52843645
   0.34219857  0.76475316  0.72676941
   0.08727361  0.77717788  0.48293910
   0.41064720  0.97787314  0.79503239
   0.54459398  0.90656748  0.64649988
   0.23306469  0.90038371  0.59773077
   0.28682382  0.74332050 -0.08014748
   0.02124158  0.70648243  0.95385167
   0.69650486  0.05290156  0.10262172
   0.81011350  0.22013393  0.23475924
   0.60804145  0.28845716  0.02183960
   0.87282901  0.45570499  0.28101976
   0.02534400  0.49126148  0.13475720
   0.77048324  0.47685911  0.09533547
   0.67359431  0.19763262  0.38914675
   0.44909050  0.18437847  0.47992417
   0.67710174  0.06170543  0.54918729
   0.91405321  0.23538088  0.79538648
   0.65862075  0.33818454  0.54979134
   0.92191336  0.49758126  0.85035005
   1.12596345  0.54877508  0.58927840
   0.81493499  0.43563591  0.67287295
   0.76132719  0.11678228  0.91418004
   0.51052933  0.06823360  0.96043818
   0.54280603  0.55969420  0.03185300
   0.94600827  0.73182089  0.29398669
   0.60442900  0.82481279  0.03852666
   0.85755740  0.99314552  0.33991966
   0.96479075  0.94597884  0.17665390
   0.71681215  0.84558027  0.22117663
   0.83840160  0.58771892  0.44308138
   0.56386624  0.64993228  0.37970432
   0.60800123  0.58911310  0.55424998
   0.84031635  0.75720162  0.80614197
   0.70134448  0.82974480  0.48391928
   0.97756275  0.98282653  0.81996940
   0.99570422  0.81308107  0.66389097
   0.78387723  0.97879191  0.69278321
   0.76258903  0.64382148  0.96105955
   0.53359241  0.72012423  0.87125089
   0.75578454  0.77900168  0.62706267
   0.89837034  1.02858105  0.53674163
   0.91105429  0.27334135  0.10235438
   0.78059716  1.14326520  0.18164097
   0.35122730  0.07551305  0.65617048
   0.37541388  0.29045263  0.51294522
   0.52472160  1.27259349 -0.11112100
  -0.21867577  1.57057289  0.02739530
   0.69634700  0.39477716  0.83913687
   0.64817215  0.57745653  0.71734361
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.879029    0.180910   -0.129127
    -0.000000    9.585783   -0.040270
    -0.000000    0.000000   14.075546
   Si   O    H 
    32    64    10
Direct configuration=  3524
   0.15253035  0.18160852 -0.00533948
   0.35259903  0.11954637  0.39360860
   0.18044682  0.45762794  0.09929314
   0.38697609  0.35165072  0.25567996
   0.05975633  0.18033983  0.48651135
   0.39704184  0.08689220  0.87900174
   0.19257167  0.38733632  0.60093488
   0.39610586  0.39692995  0.75233303
   0.17161248  0.73228230 -0.00117743
   0.40759385  0.61419030  0.36906175
   0.12353217  0.96496867  0.14609174
   0.36075804  0.87814760  0.27948172
   0.15186549  0.61910423  0.47913616
   0.38153589  0.69869083  0.82825531
   0.08259933  0.86825325  0.58030976
   0.38441300  0.92688176  0.67927313
   0.65706110  0.12526076  0.99924267
   0.81772914  0.15860852  0.34403585
   0.60759354  0.42334770  0.09477033
   0.90053219  0.39617713  0.16971509
   0.61619461  0.19853781  0.50195112
   0.90608984  0.11521535  0.87152082
   0.65071634  0.46772977  0.63412777
   0.82941342  0.38552430  0.78256842
   0.59726986  0.69263836 -0.02604689
   0.93564732  0.58096937  0.34744301
   0.61582283  0.91127574  0.14192209
   0.87168464  0.87510253  0.25860573
   0.68496622  0.66634034  0.46729187
   0.89224328  0.65997033  0.88923163
   0.69249588  0.90634858  0.60466432
   0.89700656  0.88104301  0.74562721
   0.17105755  0.12019605  0.10606283
   0.39319262  0.19551306  0.29528009
   0.18864277  0.35129460  0.00562616
   0.41005451  0.45044114  0.34549659
   0.51804130  0.38584832  0.19191356
   0.26168479  0.37314173  0.18657329
   0.19729873  0.14955385  0.42691299
  -0.07023546  0.23236246  0.41147939
  -0.00103652  0.03061106  0.53697121
   0.44983385  0.25514523  0.83876015
   0.06456273  0.28962765  0.57342763
   0.38419481  0.52816028  0.82711168
   0.47955243  0.39890646  0.65612285
   0.25463100  0.34607634  0.70431844
   0.24620204  0.12884047 -0.09106699
  -0.00458306  0.15046214  0.96462753
   0.23671019  0.60550339  0.06886827
   0.35528001  0.70789096  0.27974930
   0.16615319  0.86523028  0.06478086
   0.39742721  0.95116652  0.38046956
   0.46426132  0.90920005  0.18161767
   0.22356223  0.95097567  0.24435318
   0.30939669  0.63771811  0.46208728
   0.09331355  0.54385620  0.38214076
   0.30955340  0.37487699  0.52726312
   0.34308901  0.76186020  0.72732342
   0.08932285  0.77701774  0.48296212
   0.41041190  0.97736386  0.79506834
   0.54573686  0.90309763  0.64634931
   0.23366258  0.90018805  0.59905326
   0.28568448  0.74561699 -0.08100712
   0.02175213  0.70551236  0.95310568
   0.69379865  0.05270820  0.10309590
   0.81187278  0.21920755  0.23446809
   0.60889310  0.28896947  0.02149106
   0.87248218  0.45655075  0.27979288
   0.02499004  0.49161684  0.13408660
   0.77040382  0.47493764  0.09511708
   0.67294527  0.20040373  0.38809883
   0.44900437  0.18195622  0.47992777
   0.67741484  0.06057686  0.54879968
   0.91156370  0.23523747  0.79563037
   0.66009170  0.34005961  0.55013220
   0.92168148  0.49933257  0.85107770
   1.12752578  0.54917845  0.58962461
   0.81623233  0.43479550  0.67483379
   0.76054438  0.11492181  0.91400125
   0.50979004  0.06732285  0.96130803
   0.54245967  0.55852236  0.03068297
   0.94445798  0.73437847  0.29531622
   0.60442158  0.82499874  0.03943709
   0.85869702  0.99512792  0.34016382
   0.96450173  0.94778380  0.17690576
   0.71611825  0.84499865  0.22127918
   0.83814724  0.58633701  0.44239611
   0.56466343  0.65054460  0.38035918
   0.60607511  0.58635114  0.55434660
   0.84071655  0.75787972  0.80678091
   0.70062827  0.83138145  0.48477781
   0.97712676  0.98329390  0.82042185
   0.99570749  0.81470093  0.66330657
   0.78336382  0.97771328  0.69191141
   0.76331152  0.64408855  0.95952987
   0.53424121  0.71893995  0.87193764
   0.75332594  0.77113103  0.63405163
   0.89559957  1.03582956  0.53783353
   0.91612026  0.27604671  0.10570393
   0.77719132  1.14526795  0.18524112
   0.35197864  0.07319867  0.65736110
   0.37993815  0.28786400  0.51444929
   0.52005968  1.26614935 -0.11565871
  -0.21581507  1.57016371  0.02751305
   0.70231156  0.39536689  0.83873714
   0.64409789  0.57653575  0.72081780
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.876491    0.181702   -0.128415
    -0.000000    9.585524   -0.038924
    -0.000000    0.000000   14.075118
   Si   O    H 
    32    64    10
Direct configuration=  3525
   0.15381698  0.18198780 -0.00410970
   0.35291391  0.11909349  0.39392681
   0.17894622  0.45764284  0.09974263
   0.38720326  0.35231112  0.25598170
   0.06135460  0.18084113  0.48596994
   0.39609889  0.08850219  0.87860137
   0.19256502  0.38691872  0.60161716
   0.39750244  0.39665627  0.75289391
   0.17026771  0.73228310 -0.00169869
   0.40798672  0.61442178  0.36886447
   0.12379685  0.96566960  0.14600484
   0.36118138  0.87744386  0.27937457
   0.15261079  0.61871113  0.48067879
   0.38201606  0.69924838  0.82773954
   0.08128749  0.86997706  0.58006973
   0.38440113  0.92766422  0.67918989
   0.65737644  0.12657941  0.99886087
   0.81760364  0.15812904  0.34531980
   0.60702773  0.42389930  0.09497603
   0.89911766  0.39455180  0.16849769
   0.61574686  0.19767584  0.50142565
   0.90626885  0.11559659  0.87127126
   0.65107615  0.46750476  0.63499414
   0.82808165  0.38510653  0.78125264
   0.59751099  0.69315299 -0.02590786
   0.93572295  0.58208849  0.34729724
   0.61680140  0.91120780  0.14088293
   0.87171436  0.87505207  0.25824050
   0.68554137  0.66525794  0.46659365
   0.89222755  0.65961175  0.88926308
   0.69220316  0.90591133  0.60493468
   0.89678848  0.88105057  0.74518137
   0.17129495  0.12081488  0.10637791
   0.39344446  0.19643579  0.29550909
   0.18904042  0.35355210  0.00709361
   0.40933590  0.45048125  0.34440709
   0.52045516  0.38351977  0.19024267
   0.26127741  0.37088265  0.18825150
   0.19701503  0.14916437  0.42725308
  -0.07063363  0.23284807  0.41160718
  -0.00150322  0.03142294  0.53798482
   0.45042495  0.25439374  0.83882456
   0.06275159  0.29084343  0.57367036
   0.38405016  0.53063664  0.82661488
   0.48075113  0.40027120  0.65694743
   0.25476602  0.34609110  0.70290062
   0.24357558  0.12806087 -0.09197938
  -0.00539848  0.15095771  0.96342716
   0.23473744  0.60706499  0.06863535
   0.35476695  0.70818047  0.27984777
   0.16630119  0.86527383  0.06377947
   0.39807149  0.95024936  0.38069001
   0.46570100  0.90831342  0.18134827
   0.22339387  0.95094464  0.24322101
   0.30984334  0.63690564  0.46257107
   0.09480654  0.54379747  0.38189282
   0.30816741  0.37410027  0.52636011
   0.34403465  0.75964512  0.72774797
   0.09095192  0.77715455  0.48267863
   0.41001568  0.97708425  0.79572783
   0.54528660  0.90007078  0.64610537
   0.23536611  0.90067931  0.60031345
   0.28403734  0.74700498 -0.08198835
   0.02227042  0.70507626  0.95270604
   0.69085683  0.05344271  0.10403407
   0.81390045  0.21830433  0.23395219
   0.60986877  0.28882934  0.02136328
   0.87243180  0.45675742  0.27788002
   0.02477574  0.49204130  0.13389679
   0.77077481  0.47218590  0.09565217
   0.67150825  0.20335537  0.38752269
   0.44849465  0.17943701  0.47979512
   0.67812207  0.05866827  0.54842898
   0.90910402  0.23614798  0.79518873
   0.66185436  0.34156422  0.55059907
   0.92115273  0.50079466  0.85200617
   1.12929609  0.54895442  0.59007757
   0.81716122  0.43357201  0.67671449
   0.75935708  0.11303411  0.91448465
   0.50949247  0.06637395  0.96211947
   0.54201096  0.55695003  0.03004842
   0.94393705  0.73495976  0.29638164
   0.60434368  0.82500523  0.04064172
   0.86010209  0.99647518  0.34068067
   0.96434049  0.94950926  0.17734884
   0.71499981  0.84413607  0.22043862
   0.83848116  0.58508803  0.44163622
   0.56539017  0.65132907  0.38144159
   0.60374898  0.58428823  0.55431686
   0.84148888  0.75889473  0.80667683
   0.69961504  0.83304603  0.48546362
   0.97727717  0.98311451  0.82100159
   0.99543680  0.81594093  0.66263796
   0.78270769  0.97676664  0.69121753
   0.76364668  0.64407393  0.95910785
   0.53451357  0.71784450  0.87248507
   0.75305114  0.75998916  0.64011229
   0.89450112  1.04320869  0.53891167
   0.92189659  0.27571459  0.11080922
   0.77510768  1.15096467  0.19012564
   0.35169796  0.07386517  0.65650494
   0.37991055  0.29204404  0.51634823
   0.52132673  1.26813226 -0.11619920
  -0.21238340  1.56955940  0.02728124
   0.70815805  0.39305554  0.83821160
   0.63488551  0.57264430  0.72317760
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.873561    0.182924   -0.127230
    -0.000000    9.585563   -0.038084
    -0.000000    0.000000   14.074364
   Si   O    H 
    32    64    10
Direct configuration=  3526
   0.15538094  0.18276034 -0.00273876
   0.35293914  0.11860064  0.39404140
   0.17717092  0.45749687  0.10071484
   0.38705312  0.35255537  0.25575530
   0.06264810  0.18111958  0.48530373
   0.39583823  0.08966838  0.87866348
   0.19265081  0.38656681  0.60236486
   0.39882654  0.39645921  0.75341772
   0.16889133  0.73181451 -0.00244563
   0.40864820  0.61492841  0.36905029
   0.12366628  0.96688434  0.14635356
   0.36191715  0.87658498  0.27884299
   0.15331827  0.61823592  0.48206123
   0.38261423  0.70008982  0.82710594
   0.08070018  0.87140974  0.57917471
   0.38452333  0.92833886  0.67953706
   0.65670458  0.12831722  0.99836965
   0.81719800  0.15781439  0.34640390
   0.60660797  0.42427380  0.09517542
   0.89731533  0.39352071  0.16770180
   0.61531211  0.19715597  0.50084562
   0.90729842  0.11591665  0.87160265
   0.65068581  0.46695663  0.63602929
   0.82691143  0.38496636  0.78046230
   0.59792126  0.69303311 -0.02547450
   0.93634153  0.58316757  0.34732471
   0.61706992  0.91098059  0.13966400
   0.87138792  0.87513009  0.25781469
   0.68626432  0.66401807  0.46582842
   0.89251702  0.65894809  0.88916777
   0.69222404  0.90525571  0.60445803
   0.89646565  0.88139243  0.74433851
   0.17150163  0.12127004  0.10665723
   0.39288110  0.19679304  0.29605741
   0.18919717  0.35534076  0.00876918
   0.40848549  0.45071903  0.34367212
   0.52317048  0.38165562  0.18810004
   0.25977394  0.37001588  0.18956954
   0.19650161  0.14838605  0.42788813
  -0.07019266  0.23308073  0.41167869
  -0.00217286  0.03225583  0.53894973
   0.45070800  0.25356696  0.83881410
   0.06120207  0.29195401  0.57347856
   0.38372028  0.53128143  0.82622445
   0.48246441  0.40172576  0.65740197
   0.25560512  0.34508338  0.70247466
   0.24064269  0.12762270 -0.09249158
  -0.00527282  0.15114324  0.96260331
   0.23291245  0.60850395  0.06834277
   0.35448676  0.70851274  0.28033354
   0.16594824  0.86599161  0.06287661
   0.39867772  0.94973782  0.38119927
   0.46690993  0.90787636  0.18117048
   0.22267801  0.95131404  0.24164643
   0.31098665  0.63592410  0.46273021
   0.09645691  0.54385185  0.38209532
   0.30683969  0.37256466  0.52551296
   0.34494969  0.75811064  0.72810692
   0.09211463  0.77801656  0.48245593
   0.40902467  0.97750665  0.79692933
   0.54443697  0.89715463  0.64604963
   0.23730483  0.90052440  0.60235164
   0.28211638  0.74786367 -0.08313909
   0.02191302  0.70441680  0.95180845
   0.68751999  0.05380204  0.10467860
   0.81617321  0.21776774  0.23345524
   0.61045104  0.28883810  0.02111518
   0.87344021  0.45723924  0.27569749
   0.02493606  0.49173453  0.13351605
   0.77048208  0.46953077  0.09659970
   0.66963142  0.20575049  0.38696419
   0.44823939  0.17721304  0.47979367
   0.67908805  0.05659342  0.54779205
   0.90717557  0.23666963  0.79491019
   0.66379887  0.34206202  0.55020622
   0.92037891  0.50134548  0.85268547
   1.13028245  0.54883995  0.58993982
   0.81787210  0.43242073  0.67808655
   0.75718067  0.11096117  0.91476933
   0.50865116  0.06599976  0.96264341
   0.54136340  0.55527564  0.03003391
   0.94334312  0.73549646  0.29707848
   0.60404583  0.82499975  0.04184126
   0.86159331  0.99687422  0.34082711
   0.96502501  0.95041819  0.17769382
   0.71510668  0.84243291  0.21998437
   0.83879478  0.58302425  0.44085650
   0.56625320  0.65143181  0.38231174
   0.60220496  0.58277452  0.55307888
   0.84239580  0.75984278  0.80704233
   0.69769724  0.83474824  0.48610853
   0.97776990  0.98373873  0.82188255
   0.99535042  0.81705281  0.66180200
   0.78277730  0.97598211  0.69098986
   0.76374997  0.64365249  0.95944145
   0.53557867  0.71783154  0.87238647
   0.74985662  0.74883185  0.64290499
   0.89786897  1.04509818  0.54120617
   0.92651517  0.27357179  0.11269122
   0.77188857  1.15550938  0.19068145
   0.35331751  0.07598927  0.65457502
   0.37321167  0.29850063  0.51894006
   0.53069790  1.27257855 -0.11496014
  -0.21098029  1.56526933  0.02712222
   0.70855139  0.39074953  0.83732066
   0.62934003  0.56518548  0.72171197
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.870732    0.183922   -0.125815
    -0.000000    9.585693   -0.037279
    -0.000000    0.000000   14.074027
   Si   O    H 
    32    64    10
Direct configuration=  3527
   0.15636897  0.18346970 -0.00142865
   0.35325114  0.11777204  0.39470426
   0.17588741  0.45754462  0.10153286
   0.38731757  0.35274757  0.25512739
   0.06351313  0.18109139  0.48504334
   0.39618216  0.09085720  0.87841646
   0.19292319  0.38712293  0.60297150
   0.40012776  0.39589953  0.75390169
   0.16784281  0.73099483 -0.00329837
   0.40906757  0.61552445  0.36908866
   0.12423145  0.96821120  0.14690810
   0.36277066  0.87613616  0.27763062
   0.15378139  0.61819902  0.48307971
   0.38335604  0.70130736  0.82724735
   0.08095912  0.87235764  0.57808223
   0.38485166  0.92878992  0.67999021
   0.65518292  0.12996090  0.99821758
   0.81731514  0.15787585  0.34714083
   0.60586546  0.42416622  0.09526894
   0.89547776  0.39320294  0.16692487
   0.61489380  0.19637778  0.50048733
   0.90805632  0.11665529  0.87197419
   0.64957482  0.46654252  0.63663737
   0.82656924  0.38524646  0.77998634
   0.59824214  0.69234062 -0.02477272
   0.93654582  0.58357612  0.34730890
   0.61739661  0.91094899  0.13880864
   0.87086432  0.87531096  0.25753092
   0.68684051  0.66281875  0.46535464
   0.89326943  0.65779932  0.88920968
   0.69154378  0.90443593  0.60387495
   0.89582926  0.88176215  0.74332476
   0.17149511  0.12102916  0.10619571
   0.39169830  0.19704798  0.29630124
   0.18928206  0.35582086  0.01002487
   0.40836130  0.45020164  0.34352324
   0.52612575  0.38031888  0.18605226
   0.25838924  0.36966355  0.19033488
   0.19621451  0.14714759  0.42888861
  -0.06838614  0.23232602  0.41226757
  -0.00240299  0.03287673  0.53997412
   0.45159547  0.25350170  0.83931120
   0.06121385  0.29282082  0.57285288
   0.38403481  0.53225699  0.82566415
   0.48473075  0.40252846  0.65806007
   0.25573918  0.34337835  0.70256803
   0.23888427  0.12721819 -0.09361076
  -0.00537715  0.15218862  0.96180483
   0.23146714  0.60980293  0.06829083
   0.35464615  0.71015332  0.28080449
   0.16582852  0.86663159  0.06221929
   0.39888098  0.94931509  0.38137636
   0.46752680  0.90729475  0.18152509
   0.22233252  0.95161340  0.24012255
   0.31246647  0.63502127  0.46271105
   0.09761814  0.54376065  0.38223234
   0.30457936  0.37147765  0.52445972
   0.34507462  0.75695213  0.72791001
   0.09330344  0.77833677  0.48216535
   0.40845000  0.97813973  0.79822921
   0.54248345  0.89378233  0.64593833
   0.23813769  0.90051271  0.60409526
   0.28096723  0.74871018 -0.08452539
   0.02090959  0.70329352  0.95058730
   0.68400839  0.05350789  0.10457607
   0.81841127  0.21688431  0.23344387
   0.61091395  0.28926233  0.02106985
   0.87409691  0.45845810  0.27365677
   0.02484371  0.49131505  0.13301729
   0.76994133  0.46756639  0.09731095
   0.66707043  0.20835771  0.38627693
   0.44839584  0.17399368  0.47967608
   0.68012900  0.05443370  0.54717540
   0.90499997  0.23716503  0.79456518
   0.66536644  0.34280258  0.54985527
   0.92058658  0.50131199  0.85279948
   1.13100981  0.54815230  0.58974131
   0.81875692  0.43186302  0.67897822
   0.75494070  0.10868670  0.91520649
   0.50802854  0.06576143  0.96330750
   0.54075133  0.55402569  0.03000842
   0.94234154  0.73549365  0.29754322
   0.60355667  0.82575043  0.04303981
   0.86248220  0.99696812  0.34105671
   0.96505533  0.95154969  0.17786028
   0.71580262  0.84178066  0.21916837
   0.83917489  0.58185194  0.44018575
   0.56727545  0.65133461  0.38280402
   0.60106001  0.58200625  0.55183350
   0.84313670  0.76053974  0.80673786
   0.69636706  0.83629187  0.48669427
   0.97749775  0.98335016  0.82221545
   0.99557625  0.81831110  0.66133391
   0.78336686  0.97559785  0.69087946
   0.76279042  0.64351641  0.96029572
   0.53716010  0.71796644  0.87224076
   0.74637531  0.74399648  0.64486501
   0.89614235  1.04315112  0.54243947
   0.93300692  0.26862334  0.11035833
   0.76797770  1.15210538  0.18624476
   0.35689541  0.07908020  0.65378154
   0.36948284  0.29925540  0.52360886
   0.53413345  1.27756885 -0.11725109
  -0.20782676  1.56538257  0.02795705
   0.70422213  0.38560807  0.83772117
   0.62512221  0.55422456  0.71867797
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.867955    0.185308   -0.125101
    -0.000000    9.585640   -0.036580
    -0.000000    0.000000   14.074072
   Si   O    H 
    32    64    10
Direct configuration=  3528
   0.15712913  0.18395732 -0.00034337
   0.35390244  0.11675882  0.39557119
   0.17474898  0.45813773  0.10249655
   0.38748068  0.35225895  0.25443269
   0.06349494  0.18123044  0.48467684
   0.39618930  0.09174179  0.87812619
   0.19260836  0.38731598  0.60365820
   0.40151176  0.39588089  0.75442334
   0.16740904  0.73012864 -0.00412643
   0.40929659  0.61566775  0.36920894
   0.12496138  0.96975731  0.14755272
   0.36345077  0.87636415  0.27633851
   0.15389914  0.61836613  0.48367783
   0.38421686  0.70275377  0.82779081
   0.08141698  0.87303799  0.57741406
   0.38484923  0.92957618  0.68013505
   0.65341349  0.13133298  0.99831622
   0.81690768  0.15865485  0.34786635
   0.60499216  0.42395590  0.09489129
   0.89401865  0.39379717  0.16615193
   0.61503984  0.19633971  0.50059124
   0.90873717  0.11726080  0.87270807
   0.64814513  0.46614008  0.63678490
   0.82583683  0.38592546  0.77935190
   0.59820489  0.69149050 -0.02409282
   0.93752905  0.58378494  0.34753056
   0.61751680  0.91078913  0.13812238
   0.87066512  0.87510885  0.25725864
   0.68720921  0.66127120  0.46546105
   0.89474527  0.65691765  0.88959610
   0.69036118  0.90334482  0.60320931
   0.89514784  0.88280942  0.74250313
   0.17124581  0.12005339  0.10616908
   0.39032392  0.19688477  0.29708355
   0.18834658  0.35602582  0.01105053
   0.40818977  0.45048280  0.34393845
   0.52877834  0.37815003  0.18452913
   0.25707351  0.37017101  0.19129536
   0.19705982  0.14586824  0.42909345
  -0.06656751  0.23086417  0.41345758
  -0.00269482  0.03433397  0.54070300
   0.45284349  0.25431251  0.83961579
   0.06196247  0.29373424  0.57201123
   0.38511051  0.53277567  0.82483913
   0.48674470  0.40343572  0.65960914
   0.25648515  0.34184784  0.70366116
   0.23823997  0.12678394 -0.09410406
  -0.00481051  0.15283309  0.96092646
   0.23005385  0.61090245  0.06863917
   0.35429802  0.71111995  0.28076433
   0.16534688  0.86682632  0.06153101
   0.39923111  0.95051181  0.38078543
   0.46737792  0.90641896  0.18224231
   0.22174521  0.95095280  0.23853405
   0.31526380  0.63430428  0.46332687
   0.09826238  0.54358950  0.38340508
   0.30193209  0.37077587  0.52350310
   0.34514946  0.75663771  0.72754544
   0.09431733  0.77895342  0.48214682
   0.40870969  0.97840509  0.79919475
   0.54015120  0.89097309  0.64576170
   0.23940156  0.90049905  0.60536383
   0.28061481  0.74976752 -0.08595077
   0.02027923  0.70331726  0.94909956
   0.68128381  0.05381432  0.10365422
   0.81929660  0.21684052  0.23333168
   0.61152805  0.28973045  0.02113991
   0.87497735  0.46036145  0.27217605
   0.02453671  0.49009467  0.13292999
   0.76893875  0.46592626  0.09809224
   0.66557591  0.20996380  0.38571300
   0.44916986  0.17041234  0.48016988
   0.68076385  0.05330061  0.54605140
   0.90353173  0.23712585  0.79370657
   0.66646987  0.34269751  0.54946792
   0.92023252  0.50020783  0.85242475
   1.13097241  0.54879067  0.58897952
   0.81938227  0.43167866  0.67885004
   0.75379827  0.10520351  0.91537901
   0.50719987  0.06592996  0.96394600
   0.54019336  0.55335439  0.03009932
   0.94045100  0.73606785  0.29777050
   0.60370762  0.82654230  0.04410683
   0.86315432  0.99634255  0.34135151
   0.96511399  0.95348545  0.17811725
   0.71738414  0.84100718  0.21864631
   0.83899880  0.58160686  0.43927769
   0.56825308  0.65171146  0.38281015
   0.60019279  0.58170024  0.54983559
   0.84389229  0.76142681  0.80704815
   0.69485097  0.83695410  0.48674068
   0.97688799  0.98210907  0.82256795
   0.99648115  0.81915790  0.66132112
   0.78421881  0.97573537  0.69042675
   0.76103739  0.64315668  0.96136889
   0.53985646  0.71827507  0.87156368
   0.74415672  0.74242904  0.64437422
   0.89500265  1.03870487  0.54486906
   0.93755547  0.26855678  0.10652570
   0.77008261  1.14920884  0.18799091
   0.36050478  0.08113212  0.65148671
   0.37434369  0.28871940  0.52652907
   0.52750620  1.28226306 -0.11992178
  -0.20664686  1.56615607  0.02843639
   0.69803644  0.38386905  0.83893324
   0.62357071  0.55358110  0.71834358
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.864933    0.186342   -0.124684
    -0.000000    9.585523   -0.035840
    -0.000000    0.000000   14.073769
   Si   O    H 
    32    64    10
Direct configuration=  3529
   0.15760167  0.18431803  0.00038666
   0.35456146  0.11584963  0.39641591
   0.17379564  0.45857584  0.10350887
   0.38820421  0.35195348  0.25369994
   0.06318137  0.18129074  0.48468068
   0.39647733  0.09272561  0.87815409
   0.19183792  0.38799158  0.60432322
   0.40263230  0.39599379  0.75464769
   0.16806577  0.72924793 -0.00495377
   0.40915994  0.61614037  0.36932456
   0.12547117  0.97108739  0.14792663
   0.36444289  0.87678446  0.27490595
   0.15386414  0.61886022  0.48400639
   0.38532654  0.70483691  0.82887234
   0.08295361  0.87398828  0.57669143
   0.38488219  0.92983884  0.68005105
   0.65103472  0.13238425  0.99864826
   0.81653810  0.15964173  0.34842097
   0.60348342  0.42393279  0.09422333
   0.89312852  0.39430220  0.16530586
   0.61622057  0.19620758  0.50112050
   0.90905151  0.11775342  0.87325091
   0.64715153  0.46586634  0.63679934
   0.82543458  0.38683957  0.77981503
   0.59812692  0.69110807 -0.02320976
   0.93854160  0.58313004  0.34774274
   0.61700411  0.91027027  0.13760727
   0.87052865  0.87531268  0.25693356
   0.68748258  0.65941960  0.46552782
   0.89643645  0.65653518  0.88988401
   0.68826411  0.90228398  0.60283358
   0.89470328  0.88344932  0.74192620
   0.17126662  0.11960670  0.10644795
   0.38912700  0.19649101  0.29767308
   0.18754007  0.35545798  0.01182782
   0.40758888  0.45165166  0.34425200
   0.53105041  0.37601435  0.18312827
   0.25621569  0.37094659  0.19188740
   0.19790867  0.14404715  0.42904123
  -0.06376495  0.23062512  0.41437479
  -0.00271221  0.03571366  0.54135003
   0.45347332  0.25473682  0.83942670
   0.06260935  0.29439746  0.57091664
   0.38603217  0.53269838  0.82403830
   0.48934680  0.40429386  0.66089499
   0.25776279  0.34100566  0.70513436
   0.23793774  0.12648098 -0.09358817
  -0.00287536  0.15317249  0.96047025
   0.22922295  0.61138133  0.06892462
   0.35404152  0.71083628  0.28131002
   0.16487545  0.86697935  0.06112248
   0.39919880  0.95139179  0.38048392
   0.46684884  0.90549922  0.18319867
   0.22068664  0.95094576  0.23691174
   0.31839772  0.63468528  0.46374116
   0.09878297  0.54355537  0.38445563
   0.30104360  0.36878080  0.52225951
   0.34454977  0.75625990  0.72684625
   0.09531097  0.77958239  0.48217650
   0.40897315  0.97879379  0.80033639
   0.53709011  0.88882880  0.64565954
   0.24068744  0.90030565  0.60601598
   0.27986944  0.75067518 -0.08743360
   0.01994580  0.70381213  0.94706290
   0.67948283  0.05422096  0.10288767
   0.82023003  0.21610898  0.23364214
   0.61196734  0.29076247  0.02092188
   0.87569828  0.46244964  0.27136702
   0.02443042  0.48833125  0.13353313
   0.76760234  0.46451485  0.09889112
   0.66510266  0.21037526  0.38534973
   0.45079043  0.16681603  0.48037200
   0.68182500  0.05310858  0.54487114
   0.90133374  0.23796938  0.79265536
   0.66760074  0.34205327  0.54940814
   0.92092902  0.49950539  0.85178028
   1.13038162  0.54950830  0.58803900
   0.81998482  0.43191423  0.67820901
   0.75328744  0.10245716  0.91499839
   0.50651629  0.06625637  0.96342920
   0.54017866  0.55254239  0.02991636
   0.93787317  0.73621519  0.29804368
   0.60384222  0.82616125  0.04403632
   0.86307951  0.99592986  0.34122649
   0.96421466  0.95504396  0.17786709
   0.71939500  0.83987579  0.21830213
   0.83820796  0.58126757  0.43840550
   0.56963812  0.65194933  0.38274859
   0.59935416  0.58078134  0.54775722
   0.84493479  0.76153552  0.80762736
   0.69344122  0.83578300  0.48708941
   0.97621638  0.98007833  0.82298806
   0.99725415  0.81955251  0.66212619
   0.78454503  0.97712632  0.68963840
   0.76029827  0.64257384  0.96265649
   0.54333939  0.71884419  0.87075740
   0.74516746  0.74760226  0.64170832
   0.89517023  1.03426165  0.54895726
   0.94293447  0.27149068  0.10636783
   0.77505487  1.15200905  0.18929529
   0.36387093  0.08184026  0.64973990
   0.37369785  0.28180773  0.52802213
   0.52444037  1.28667166 -0.12223081
  -0.20896029  1.56917186  0.02829832
   0.69209395  0.38254659  0.83922013
   0.62371740  0.55410182  0.71943563
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.861732    0.187314   -0.125127
    -0.000000    9.585745   -0.034980
    -0.000000    0.000000   14.072994
   Si   O    H 
    32    64    10
Direct configuration=  3530
   0.15765657  0.18521339  0.00111988
   0.35492189  0.11520467  0.39696812
   0.17333469  0.45840708  0.10466947
   0.38927788  0.35173056  0.25330629
   0.06237952  0.18157981  0.48468138
   0.39674960  0.09318595  0.87840786
   0.19119463  0.38932596  0.60477599
   0.40302739  0.39653009  0.75449684
   0.16868662  0.72828259 -0.00555722
   0.40886250  0.61661839  0.36947034
   0.12545997  0.97187213  0.14822303
   0.36526122  0.87722104  0.27347860
   0.15407602  0.61910330  0.48453959
   0.38656749  0.70663719  0.83011030
   0.08450528  0.87508110  0.57602459
   0.38467339  0.92945335  0.68003493
   0.64869362  0.13299016  0.99935581
   0.81646160  0.16112853  0.34872251
   0.60164328  0.42377191  0.09321476
   0.89277001  0.39468827  0.16466534
   0.61756576  0.19667716  0.50169179
   0.90918562  0.11829681  0.87344999
   0.64610464  0.46531758  0.63734268
   0.82512550  0.38764247  0.78094912
   0.59807261  0.69119381 -0.02197203
   0.93860486  0.58225552  0.34731882
   0.61643886  0.90889336  0.13791207
   0.87034730  0.87507421  0.25680655
   0.68813266  0.65801267  0.46591705
   0.89790320  0.65621260  0.89001662
   0.68660940  0.90124367  0.60193040
   0.89426605  0.88409975  0.74131942
   0.17238340  0.11962724  0.10644288
   0.38841522  0.19649831  0.29815589
   0.18680564  0.35481930  0.01215918
   0.40715594  0.45255179  0.34432491
   0.53231738  0.37279091  0.18180428
   0.25510669  0.37151722  0.19171175
   0.19866708  0.14258906  0.42889405
  -0.06076959  0.22947483  0.41543010
  -0.00192829  0.03621447  0.54177466
   0.45388511  0.25512614  0.83864602
   0.06305909  0.29402888  0.57046054
   0.38703857  0.53203916  0.82293905
   0.49231662  0.40425982  0.66234678
   0.25860587  0.34168251  0.70694782
   0.23747032  0.12649932 -0.09230024
  -0.00009792  0.15351200  0.96053620
   0.22893827  0.61148230  0.06991241
   0.35378591  0.71096531  0.28167489
   0.16424233  0.86677307  0.06068987
   0.39930979  0.95237941  0.37934696
   0.46619019  0.90478416  0.18372979
   0.21912633  0.95075606  0.23565784
   0.32064649  0.63500464  0.46414873
   0.09788733  0.54336762  0.38581735
   0.30083226  0.36663197  0.52134657
   0.34389429  0.75585010  0.72604270
   0.09533916  0.77978441  0.48191721
   0.40902257  0.97927136  0.80143647
   0.53423111  0.88747938  0.64555135
   0.24230139  0.90107902  0.60666939
   0.27857617  0.75130175 -0.08863819
   0.01936279  0.70396553  0.94604576
   0.67814702  0.05529620  0.10209957
   0.82125372  0.21548624  0.23423363
   0.61185995  0.29187287  0.02022448
   0.87676162  0.46438114  0.27050765
   0.02434059  0.48657947  0.13406251
   0.76644540  0.46351191  0.09997971
   0.66501750  0.21145704  0.38473367
   0.45334388  0.16382330  0.48113374
   0.68298711  0.05397630  0.54387441
   0.89880533  0.23912891  0.79171520
   0.66869302  0.34074200  0.54955078
   0.91985831  0.49890950  0.85172996
   1.13043844  0.54989147  0.58713887
   0.81973608  0.43227326  0.67713795
   0.75231167  0.10013779  0.91468010
   0.50553039  0.06653040  0.96278221
   0.54078382  0.55186556  0.02975114
   0.93521598  0.73571729  0.29845828
   0.60416400  0.82471348  0.04356433
   0.86248620  0.99561575  0.34078718
   0.96406311  0.95590288  0.17759531
   0.72077080  0.83928321  0.21790111
   0.83745437  0.58111781  0.43703897
   0.57020144  0.65276361  0.38257518
   0.59938363  0.57941687  0.54581386
   0.84538061  0.76155871  0.80787385
   0.69309321  0.83428867  0.48780896
   0.97536157  0.97808502  0.82300918
   0.99785548  0.81986710  0.66385010
   0.78404543  0.97890039  0.68903514
   0.76068796  0.64206271  0.96495475
   0.54602305  0.72019066  0.87054662
   0.74780809  0.75642184  0.63752718
   0.89781790  1.02984070  0.55334660
   0.94747989  0.27474764  0.11124701
   0.77845955  1.15249441  0.18559155
   0.36871587  0.08060648  0.64773557
   0.36862499  0.28408135  0.52903976
   0.53266849  1.29218634 -0.11620234
  -0.21374973  1.57438957  0.02623620
   0.68491113  0.38262310  0.83844553
   0.62570101  0.55790503  0.72397166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.858665    0.187675   -0.125140
    -0.000000    9.586020   -0.034716
    -0.000000    0.000000   14.072043
   Si   O    H 
    32    64    10
Direct configuration=  3531
   0.15775000  0.18623173  0.00164809
   0.35521621  0.11531923  0.39756904
   0.17361508  0.45802864  0.10561841
   0.38940867  0.35207316  0.25354118
   0.06257278  0.18167298  0.48470426
   0.39701661  0.09352978  0.87867857
   0.19032829  0.39104547  0.60480758
   0.40334159  0.39632911  0.75434974
   0.16906571  0.72734772 -0.00553483
   0.40818400  0.61715268  0.36974396
   0.12573080  0.97218416  0.14824846
   0.36596720  0.87731859  0.27213755
   0.15450380  0.61967582  0.48500725
   0.38809944  0.70831658  0.83130090
   0.08578915  0.87650461  0.57539844
   0.38422714  0.92979664  0.68010138
   0.64611583  0.13264700  0.99979296
   0.81605125  0.16255045  0.34885890
   0.60057485  0.42335116  0.09181781
   0.89240103  0.39520106  0.16450475
   0.61884048  0.19697145  0.50230404
   0.90966206  0.11962337  0.87353760
   0.64533729  0.46442154  0.63775095
   0.82414612  0.38838671  0.78214413
   0.59833897  0.69138479 -0.02142312
   0.93871247  0.58136254  0.34652066
   0.61622951  0.90758035  0.13803570
   0.87008471  0.87524754  0.25690931
   0.68887098  0.65665726  0.46656633
   0.89828963  0.65567237  0.89037669
   0.68519051  0.90019823  0.60116002
   0.89435159  0.88450049  0.74088672
   0.17208061  0.11988411  0.10640440
   0.38838745  0.19637328  0.29863363
   0.18599421  0.35412602  0.01246166
   0.40703997  0.45248341  0.34419883
   0.53357668  0.37017096  0.18099090
   0.25382694  0.37138761  0.19149730
   0.19902867  0.14115665  0.42911351
  -0.05792210  0.22856819  0.41594278
  -0.00142036  0.03650260  0.54232789
   0.45471039  0.25584886  0.83787321
   0.06375108  0.29396965  0.56967593
   0.38834435  0.53122227  0.82270472
   0.49380542  0.40336680  0.66337100
   0.25927956  0.34281533  0.70907802
   0.23706363  0.12645118 -0.09084621
   0.00291546  0.15431877  0.96174225
   0.22881701  0.61182313  0.07050732
   0.35393180  0.71141674  0.28210039
   0.16429020  0.86718562  0.06013010
   0.39910395  0.95281546  0.37791558
   0.46588511  0.90450835  0.18475467
   0.21758693  0.94982309  0.23534912
   0.32290491  0.63472736  0.46459453
   0.09583437  0.54317327  0.38677987
   0.30021797  0.36451548  0.52052993
   0.34332023  0.75614943  0.72560083
   0.09417308  0.78024153  0.48120639
   0.40846197  0.97919079  0.80160629
   0.53273326  0.88625913  0.64485931
   0.24332305  0.90235285  0.60778864
   0.27729847  0.75215316 -0.09035009
   0.01988217  0.70500408  0.94586435
   0.67635221  0.05741455  0.10111485
   0.82304518  0.21493188  0.23472502
   0.61168921  0.29265980  0.01962906
   0.87812250  0.46616860  0.26988165
   0.02500982  0.48600077  0.13471354
   0.76550433  0.46245267  0.10169457
   0.66578734  0.21184864  0.38435409
   0.45609649  0.16079737  0.48237934
   0.68512056  0.05510935  0.54292537
   0.89641682  0.24004082  0.79092227
   0.66894591  0.34015499  0.54943104
   0.91901925  0.49858718  0.85128765
   1.13017123  0.54989457  0.58616321
   0.81960407  0.43377052  0.67590157
   0.75148728  0.09854030  0.91461499
   0.50430613  0.06808536  0.96245180
   0.54060474  0.55067574  0.02991132
   0.93300021  0.73538249  0.29886407
   0.60390286  0.82267410  0.04275983
   0.86228114  0.99606570  0.34048419
   0.96371320  0.95655937  0.17765833
   0.72200545  0.83863380  0.21712593
   0.83637289  0.58132439  0.43572394
   0.57131845  0.65399295  0.38212407
   0.59990081  0.57825945  0.54438178
   0.84564741  0.76128457  0.80846563
   0.69230170  0.83211092  0.48871654
   0.97398801  0.97575888  0.82322870
   0.99804931  0.82069440  0.66545819
   0.78337434  0.98058850  0.68831691
   0.76222627  0.64167774  0.96685035
   0.54817891  0.72163646  0.87051064
   0.75195701  0.76587134  0.63160047
   0.90241934  1.02557218  0.55729692
   0.95055756  0.27739658  0.11474546
   0.78379310  1.15163628  0.18288868
   0.37427746  0.08011387  0.64693135
   0.36446364  0.28978089  0.52880824
   0.53620600  1.29240742 -0.11176746
  -0.21802990  1.58012922  0.02351153
   0.68179885  0.38771593  0.83602032
   0.62947228  0.55994134  0.72724261
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.855289    0.187713   -0.125074
    -0.000000    9.586361   -0.034698
    -0.000000    0.000000   14.071136
   Si   O    H 
    32    64    10
Direct configuration=  3532
   0.15756675  0.18691568  0.00200686
   0.35571277  0.11485108  0.39812743
   0.17461005  0.45773496  0.10636876
   0.38967382  0.35235439  0.25375568
   0.06337483  0.18193225  0.48467682
   0.39721039  0.09383025  0.87932628
   0.18993513  0.39242453  0.60466459
   0.40357913  0.39618162  0.75406821
   0.16941515  0.72659698 -0.00520543
   0.40721867  0.61891827  0.36976213
   0.12567303  0.97184797  0.14809000
   0.36675414  0.87853147  0.27054302
   0.15499995  0.62006527  0.48528284
   0.38947002  0.70932391  0.83236555
   0.08707854  0.87790373  0.57480844
   0.38370123  0.93030582  0.67987493
   0.64438022  0.13284498  1.00016758
   0.81591573  0.16334161  0.34878255
   0.59940873  0.42341535  0.09062852
   0.89174401  0.39624134  0.16433656
   0.61976827  0.19727705  0.50242367
   0.91006789  0.12036773  0.87384023
   0.64472072  0.46427968  0.63795895
   0.82303842  0.38944590  0.78351218
   0.59825516  0.69176823 -0.02145055
   0.93889279  0.58050072  0.34561796
   0.61583968  0.90680754  0.13800225
   0.86977584  0.87554782  0.25659745
   0.68965869  0.65600092  0.46762183
   0.89844296  0.65544524  0.89041010
   0.68379297  0.89936449  0.60044636
   0.89458587  0.88506037  0.74021506
   0.17177372  0.12059308  0.10621224
   0.38807000  0.19603159  0.29873131
   0.18519603  0.35250115  0.01255390
   0.40661809  0.45291100  0.34388006
   0.53388177  0.36828953  0.18064704
   0.25308664  0.37136637  0.19123327
   0.19989887  0.14068949  0.42905362
  -0.05607472  0.22749362  0.41593491
  -0.00083470  0.03671242  0.54280560
   0.45579209  0.25724826  0.83753575
   0.06463284  0.29367066  0.56921904
   0.38942549  0.52988272  0.82260100
   0.49525713  0.40208841  0.66427526
   0.25906085  0.34423424  0.71152085
   0.23765480  0.12566221 -0.08917937
   0.00536873  0.15572455  0.96299244
   0.22859248  0.61195542  0.07067537
   0.35361817  0.71103593  0.28281453
   0.16482906  0.86789861  0.05983614
   0.39873259  0.95242852  0.37623037
   0.46566945  0.90411426  0.18540624
   0.21647409  0.94860052  0.23540306
   0.32529211  0.63541025  0.46482709
   0.09349911  0.54345626  0.38774919
   0.30041402  0.36331793  0.52016340
   0.34153503  0.75617903  0.72531238
   0.09343726  0.78032698  0.48052523
   0.40804889  0.97851574  0.80151179
   0.53165195  0.88550765  0.64376954
   0.24326637  0.90404881  0.60836697
   0.27562006  0.75317625 -0.09089782
   0.02196657  0.70568791  0.94656974
   0.67481850  0.05913465  0.10032174
   0.82492362  0.21458730  0.23516898
   0.61154376  0.29333720  0.01956704
   0.87945527  0.46875294  0.26919019
   0.02561677  0.48575743  0.13530714
   0.76407477  0.46210769  0.10360825
   0.66642441  0.21144622  0.38386384
   0.45839150  0.15832612  0.48337409
   0.68720208  0.05624984  0.54223092
   0.89449404  0.24056964  0.79042656
   0.66884003  0.33878681  0.54957237
   0.91786900  0.49828650  0.85143153
   1.13034068  0.54946547  0.58575606
   0.81939866  0.43456686  0.67455878
   0.75107077  0.09674781  0.91464653
   0.50240537  0.06946991  0.96200269
   0.54099882  0.55001979  0.02990032
   0.93072954  0.73456703  0.29925237
   0.60320408  0.82160844  0.04202601
   0.86171842  0.99675726  0.33971588
   0.96378925  0.95648523  0.17731062
   0.72286774  0.83862170  0.21620462
   0.83439208  0.58143756  0.43412517
   0.57139972  0.65482391  0.38193950
   0.60028232  0.57674141  0.54345451
   0.84570628  0.75972500  0.80931740
   0.69138842  0.82931775  0.48926856
   0.97223005  0.97351579  0.82296959
   0.99892853  0.82083381  0.66687150
   0.78206990  0.98201021  0.68791800
   0.76379663  0.64133580  0.96804696
   0.54997170  0.72295017  0.87058892
   0.75938607  0.77064456  0.62860833
   0.90408391  1.02317038  0.56093142
   0.95327830  0.27886466  0.11815057
   0.78741259  1.15324386  0.18158246
   0.37540021  0.07684796  0.64988880
   0.36687431  0.28948762  0.52840160
   0.53145678  1.28918754 -0.10963835
  -0.21468094  1.57971699  0.02537878
   0.68248504  0.39345972  0.83197821
   0.63531321  0.56294037  0.72662741
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.851959    0.187411   -0.125262
    -0.000000    9.586679   -0.034333
    -0.000000    0.000000   14.070283
   Si   O    H 
    32    64    10
Direct configuration=  3533
   0.15751420  0.18715705  0.00209872
   0.35616476  0.11453505  0.39839487
   0.17580424  0.45821572  0.10719411
   0.39026790  0.35240433  0.25390978
   0.06460433  0.18272127  0.48441956
   0.39690080  0.09427643  0.87974447
   0.18982015  0.39305160  0.60415555
   0.40370254  0.39604161  0.75409071
   0.16988461  0.72634581 -0.00476639
   0.40638705  0.62027232  0.37043745
   0.12526782  0.97114929  0.14785897
   0.36715773  0.87994448  0.26918523
   0.15623567  0.62052001  0.48494664
   0.39070915  0.70955078  0.83347232
   0.08929221  0.87955444  0.57429157
   0.38273189  0.93063677  0.67956736
   0.64311077  0.13266203  1.00008853
   0.81541370  0.16381296  0.34847870
   0.59848379  0.42325056  0.08959907
   0.89167137  0.39673805  0.16439185
   0.62098496  0.19795713  0.50219853
   0.91068304  0.12073524  0.87358993
   0.64431641  0.46415384  0.63793239
   0.82172458  0.39046840  0.78494105
   0.59788672  0.69192939 -0.02177579
   0.93890756  0.58014923  0.34480682
   0.61545362  0.90633256  0.13829316
   0.86949951  0.87625043  0.25649349
   0.68974252  0.65498740  0.46857904
   0.89846576  0.65540053  0.89023016
   0.68258297  0.89842410  0.59967457
   0.89505672  0.88553641  0.73979198
   0.17119955  0.12137063  0.10542621
   0.38751578  0.19515700  0.29842506
   0.18514355  0.35151139  0.01263459
   0.40668376  0.45343111  0.34393926
   0.53277638  0.36699708  0.18114999
   0.25195673  0.37224701  0.19101457
   0.20008330  0.13918696  0.42856994
  -0.05493662  0.22629771  0.41566051
  -0.00023810  0.03613905  0.54347763
   0.45655686  0.25907758  0.83743792
   0.06575110  0.29390367  0.56906072
   0.39061233  0.52852007  0.82239855
   0.49644286  0.40082380  0.66472151
   0.25842208  0.34559326  0.71308410
   0.23840063  0.12443647 -0.08742032
   0.00710204  0.15746038  0.96436649
   0.22834489  0.61206369  0.07094079
   0.35298004  0.71103114  0.28325309
   0.16501933  0.86792796  0.05957012
   0.39746820  0.95248620  0.37463368
   0.46577298  0.90344518  0.18609304
   0.21597979  0.94703351  0.23674996
   0.32664219  0.63580713  0.46522712
   0.09089034  0.54342724  0.38857004
   0.29958799  0.36234462  0.51922895
   0.33987563  0.75614896  0.72475246
   0.09297762  0.78029573  0.48034811
   0.40715949  0.97890869  0.80143965
   0.53087897  0.88489190  0.64300418
   0.24285336  0.90606674  0.60856429
   0.27325493  0.75432923 -0.09152467
   0.02492782  0.70637834  0.94761708
   0.67334044  0.06025351  0.09925193
   0.82741355  0.21447174  0.23514150
   0.61072415  0.29479267  0.01964286
   0.88053847  0.47174787  0.26841004
   0.02485106  0.48602792  0.13496859
   0.76204298  0.46175454  0.10507554
   0.66727704  0.21147894  0.38384132
   0.45987604  0.15605972  0.48445660
   0.68910311  0.05709714  0.54166907
   0.89209083  0.24079596  0.79038237
   0.66793539  0.33744459  0.55038441
   0.91659652  0.49822217  0.85102267
   1.13048325  0.54969034  0.58581159
   0.81801476  0.43552720  0.67308311
   0.75065427  0.09445077  0.91509382
   0.50020215  0.07147429  0.96192824
   0.54117339  0.54962061  0.02957986
   0.92940437  0.73398177  0.30000511
   0.60245063  0.82173009  0.04149130
   0.86070714  0.99721850  0.33947383
   0.96422466  0.95585606  0.17700244
   0.72267825  0.83817464  0.21474695
   0.83264307  0.58209402  0.43323520
   0.57155718  0.65609802  0.38192594
   0.60052068  0.57614537  0.54299501
   0.84558191  0.75809983  0.81013694
   0.69066077  0.82758285  0.48949826
   0.97026116  0.97317554  0.82265662
   0.99981069  0.82105530  0.66782871
   0.78027901  0.98376898  0.68713174
   0.76508464  0.64133108  0.96922814
   0.55136398  0.72388889  0.87115319
   0.77142485  0.76648505  0.62595229
   0.90572182  1.02592955  0.56271930
   0.95379426  0.27632774  0.11903003
   0.79037979  1.15642718  0.18231603
   0.37670706  0.07429360  0.65105226
   0.37691690  0.28766307  0.52584619
   0.51693599  1.28634841 -0.11121081
  -0.21237907  1.57756215  0.02956274
   0.68739548  0.40124807  0.82902997
   0.64334404  0.57118110  0.72423189
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.848672    0.186833   -0.124852
    -0.000000    9.586976   -0.034527
    -0.000000    0.000000   14.069331
   Si   O    H 
    32    64    10
Direct configuration=  3534
   0.15657331  0.18761016  0.00229579
   0.35635898  0.11437085  0.39839615
   0.17653743  0.45873735  0.10741094
   0.39065268  0.35214797  0.25384415
   0.06660118  0.18338607  0.48398550
   0.39608961  0.09573419  0.87968831
   0.19016808  0.39339533  0.60338431
   0.40416594  0.39637327  0.75442159
   0.17066895  0.72670848 -0.00437145
   0.40565910  0.62129326  0.37121667
   0.12464639  0.97046121  0.14742126
   0.36735883  0.88103344  0.26856776
   0.15755884  0.62108121  0.48409967
   0.39148341  0.71010819  0.83431093
   0.09130741  0.88172505  0.57352272
   0.38151308  0.93050008  0.67917075
   0.64229152  0.13298509  0.99966708
   0.81527169  0.16399859  0.34849929
   0.59814011  0.42294685  0.08907198
   0.89181341  0.39687737  0.16451893
   0.62218222  0.19857493  0.50180526
   0.91153316  0.12100243  0.87303005
   0.64442949  0.46400201  0.63780756
   0.82023370  0.39182338  0.78604516
   0.59779084  0.69158459 -0.02202817
   0.93896583  0.57993064  0.34416812
   0.61516527  0.90555989  0.13907733
   0.86940206  0.87703901  0.25656935
   0.68960634  0.65478672  0.46931135
   0.89768045  0.65524979  0.88997864
   0.68191985  0.89707510  0.59946948
   0.89528466  0.88590157  0.73982032
   0.17087004  0.12163420  0.10530476
   0.38715363  0.19398542  0.29827171
   0.18511671  0.35132506  0.01325706
   0.40612070  0.45392881  0.34347970
   0.53170405  0.36563096  0.18217124
   0.25102518  0.37235974  0.19066025
   0.20014487  0.13735716  0.42844674
  -0.05409766  0.22488537  0.41502725
   0.00123602  0.03535713  0.54440946
   0.45720745  0.26027840  0.83737566
   0.06691077  0.29468897  0.56891041
   0.39306913  0.52779020  0.82231898
   0.49720706  0.39911969  0.66520185
   0.25731281  0.34595325  0.71347485
   0.24007297  0.12297203 -0.08607011
   0.00821739  0.15862363  0.96550340
   0.22753639  0.61244018  0.07145468
   0.35188210  0.71098016  0.28362445
   0.16405587  0.86749817  0.05898292
   0.39681972  0.95298332  0.37281715
   0.46581322  0.90321853  0.18599495
   0.21606099  0.94508072  0.23899139
   0.32769834  0.63663355  0.46564880
   0.08826168  0.54356364  0.38944668
   0.29934676  0.36157618  0.51846756
   0.33881526  0.75647019  0.72428149
   0.09305447  0.78060220  0.47960362
   0.40700285  0.97905492  0.80159310
   0.53007510  0.88497511  0.64184483
   0.24189587  0.90780248  0.60851367
   0.27143411  0.75534286 -0.09165861
   0.02772061  0.70685015  0.94894035
   0.67206078  0.06068618  0.09814317
   0.82946273  0.21417623  0.23490703
   0.60915668  0.29558006  0.01972340
   0.88136085  0.47451717  0.26772811
   0.02445246  0.48716267  0.13484980
   0.76021755  0.46218252  0.10597667
   0.66837060  0.21090466  0.38392745
   0.46183483  0.15490720  0.48578251
   0.69136970  0.05775105  0.54052960
   0.89092118  0.24106962  0.79086226
   0.66626904  0.33600607  0.55128769
   0.91588027  0.49866310  0.85037164
   1.13099683  0.54991181  0.58661168
   0.81701612  0.43684809  0.67168879
   0.75082335  0.09276416  0.91578003
   0.49805562  0.07282332  0.96183114
   0.54152221  0.54978249  0.02906698
   0.92847184  0.73333313  0.30005088
   0.60208388  0.82158347  0.04111220
   0.86005802  0.99777776  0.33946462
   0.96512943  0.95489857  0.17681691
   0.72292697  0.83870485  0.21241190
   0.83115303  0.58244227  0.43255753
   0.57100760  0.65771704  0.38255160
   0.60044345  0.57546926  0.54364725
   0.84620053  0.75736627  0.81056424
   0.69057350  0.82587339  0.48967567
   0.96791292  0.97293818  0.82296348
   1.00097846  0.82055422  0.66750432
   0.77798105  0.98517959  0.68638881
   0.76646790  0.64129309  0.97069975
   0.55228402  0.72536589  0.87130885
   0.77718164  0.76146806  0.62319315
   0.90134484  1.03128798  0.56574244
   0.95199187  0.27285442  0.11766845
   0.79337408  1.16311988  0.18525443
   0.37788608  0.07592960  0.65151338
   0.38072934  0.28636327  0.52110513
   0.50811133  1.28555729 -0.10855639
  -0.21068007  1.57303698  0.03353729
   0.69305658  0.40403417  0.82723554
   0.64578821  0.58185951  0.71702270
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.845805    0.186650   -0.125352
    -0.000000    9.587290   -0.034465
    -0.000000    0.000000   14.068903
   Si   O    H 
    32    64    10
Direct configuration=  3535
   0.15540981  0.18846271  0.00240721
   0.35615477  0.11468181  0.39859407
   0.17698050  0.45915358  0.10756326
   0.39096564  0.35150090  0.25369692
   0.06860827  0.18331556  0.48375246
   0.39383008  0.09692901  0.87921070
   0.19067397  0.39339019  0.60269512
   0.40439465  0.39646639  0.75498704
   0.17138834  0.72739926 -0.00388386
   0.40596832  0.62211702  0.37199798
   0.12399681  0.97041035  0.14709798
   0.36706200  0.88203123  0.26819466
   0.15884655  0.62141300  0.48304775
   0.39172509  0.71033601  0.83437073
   0.09275823  0.88343711  0.57327359
   0.37977576  0.93010656  0.67888970
   0.64108368  0.13354352  0.99959469
   0.81565554  0.16360553  0.34921927
   0.59831163  0.42211585  0.08877635
   0.89295010  0.39676734  0.16447193
   0.62357360  0.19898776  0.50138530
   0.91191504  0.12159368  0.87235767
   0.64509711  0.46417258  0.63795575
   0.81881934  0.39332266  0.78617458
   0.59756879  0.69061460 -0.02243795
   0.93891725  0.58025498  0.34411446
   0.61494876  0.90558323  0.13979494
   0.86946017  0.87805706  0.25683473
   0.68968159  0.65496645  0.46977292
   0.89658300  0.65480116  0.88983274
   0.68090400  0.89583595  0.59926193
   0.89490538  0.88578482  0.73941431
   0.17059808  0.12160022  0.10553938
   0.38718809  0.19289020  0.29774080
   0.18561565  0.35169507  0.01376587
   0.40600164  0.45466927  0.34325422
   0.52956173  0.36476387  0.18361015
   0.25084548  0.37319810  0.19099272
   0.19957754  0.13584396  0.42857972
  -0.05338692  0.22390440  0.41449605
   0.00264275  0.03461740  0.54556702
   0.45863089  0.26156168  0.83636618
   0.06764297  0.29502679  0.56902060
   0.39584379  0.52704313  0.82275255
   0.49787537  0.39622434  0.66593868
   0.25602929  0.34601450  0.71386129
   0.24133834  0.12075195 -0.08487066
   0.00820677  0.15919241  0.96677448
   0.22669864  0.61282144  0.07187595
   0.35055022  0.71194239  0.28285063
   0.16240894  0.86692818  0.05869730
   0.39653929  0.95320286  0.37102445
   0.46597462  0.90286019  0.18571581
   0.21677983  0.94309389  0.24116017
   0.32793828  0.63834562  0.46668790
   0.08503048  0.54348914  0.39019232
   0.29932393  0.36103224  0.51775883
   0.33785456  0.75632407  0.72446662
   0.09361290  0.78165575  0.47844897
   0.40721015  0.97932579  0.80129536
   0.52988921  0.88403189  0.64025821
   0.24166465  0.90987052  0.60811140
   0.26982869  0.75546044 -0.09204545
   0.02968471  0.70670690  0.95062870
   0.67064028  0.06049432  0.09698370
   0.83130949  0.21464284  0.23536750
   0.60807643  0.29608864  0.01905121
   0.88230933  0.47667755  0.26756690
   0.02392005  0.48953730  0.13507639
   0.75826439  0.46270308  0.10678837
   0.66931865  0.21055793  0.38397268
   0.46307673  0.15451474  0.48708170
   0.69333510  0.05838559  0.53949776
   0.88976115  0.24087328  0.79146457
   0.66508297  0.33491484  0.55198032
   0.91579914  0.49823581  0.85006290
   1.13164013  0.55001799  0.58686330
   0.81621020  0.43711753  0.67051607
   0.75137936  0.09205345  0.91674957
   0.49676010  0.07420463  0.96132338
   0.54176001  0.55019715  0.02865924
   0.92806762  0.73268925  0.30079737
   0.60175262  0.82150349  0.04113525
   0.85890812  0.99845828  0.33903494
   0.96523846  0.95398335  0.17644090
   0.72333196  0.83933602  0.21063811
   0.83018369  0.58411620  0.43222166
   0.57057977  0.65801081  0.38308524
   0.60077019  0.57438065  0.54416396
   0.84648833  0.75725904  0.81053867
   0.69068525  0.82381511  0.48974737
   0.96601397  0.97323975  0.82362355
   1.00294756  0.82023789  0.66703307
   0.77566009  0.98618453  0.68546472
   0.76739525  0.64156281  0.97239340
   0.55228824  0.72798997  0.87142146
   0.77970158  0.76179074  0.62196647
   0.90021800  1.03682671  0.56670385
   0.95037159  0.27473306  0.11478236
   0.79367017  1.15694110  0.18333846
   0.38015568  0.08064826  0.65003295
   0.37970700  0.29315220  0.51824225
   0.50622566  1.29143233 -0.10031162
  -0.20948786  1.56944373  0.03534789
   0.68851348  0.40678569  0.82874858
   0.64956369  0.58746923  0.71042254
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843375    0.186063   -0.125774
    -0.000000    9.587574   -0.034248
    -0.000000    0.000000   14.068515
   Si   O    H 
    32    64    10
Direct configuration=  3536
   0.15483727  0.18918441  0.00270005
   0.35639783  0.11443928  0.39841286
   0.17780596  0.45938186  0.10766782
   0.39158516  0.35114211  0.25373350
   0.07027319  0.18375805  0.48337315
   0.39147460  0.09899270  0.87861486
   0.19159262  0.39364280  0.60207024
   0.40513259  0.39725996  0.75540555
   0.17170264  0.72874289 -0.00324458
   0.40700980  0.62333325  0.37269365
   0.12315553  0.97002083  0.14699432
   0.36683284  0.88232802  0.26844531
   0.16047609  0.62204869  0.48215996
   0.39164753  0.71069317  0.83414208
   0.09379173  0.88447152  0.57341552
   0.37818939  0.92991397  0.67888086
   0.64048644  0.13388560  0.99952368
   0.81625876  0.16350127  0.35001091
   0.59837480  0.42064193  0.08890252
   0.89491760  0.39677635  0.16458271
   0.62495334  0.19901441  0.50080566
   0.91249905  0.12205517  0.87205377
   0.64557836  0.46467557  0.63778291
   0.81772347  0.39444027  0.78613968
   0.59773742  0.68958425 -0.02345271
   0.93848533  0.58090136  0.34400800
   0.61482513  0.90505679  0.14078285
   0.86897619  0.87878693  0.25708209
   0.68948899  0.65564336  0.46979669
   0.89584105  0.65479915  0.88982909
   0.68025584  0.89537845  0.59873194
   0.89411098  0.88567867  0.73876846
   0.17028196  0.12062721  0.10598862
   0.38657083  0.19232975  0.29753402
   0.18593451  0.35138556  0.01371032
   0.40588685  0.45632108  0.34287780
   0.52783464  0.36428260  0.18557670
   0.25009633  0.37455579  0.19188968
   0.19805616  0.13433237  0.42822779
  -0.05269509  0.22301765  0.41332136
   0.00353345  0.03365026  0.54655992
   0.46057405  0.26310744  0.83593209
   0.06754806  0.29441704  0.56865967
   0.39781251  0.52647019  0.82326182
   0.49840376  0.39312086  0.66680843
   0.25456853  0.34669142  0.71393169
   0.24243203  0.11963976 -0.08424072
   0.00668082  0.15974516  0.96742805
   0.22550450  0.61326569  0.07246581
   0.34956886  0.71248288  0.28169579
   0.16054384  0.86601891  0.05903963
   0.39518621  0.95281100  0.36937737
   0.46711850  0.90288913  0.18519772
   0.21779022  0.94131939  0.24328665
   0.32754862  0.64055380  0.46806534
   0.08186949  0.54261902  0.39081287
   0.30056709  0.36021663  0.51780366
   0.33759882  0.75668857  0.72555805
   0.09405075  0.78326338  0.47780415
   0.40673508  0.97970499  0.80112461
   0.52965649  0.88277457  0.63878982
   0.24132236  0.91174141  0.60771183
   0.26887773  0.75627783 -0.09198274
   0.03069391  0.70597713  0.95181914
   0.66921280  0.06010925  0.09676798
   0.83261629  0.21472818  0.23592827
   0.60616315  0.29702535  0.01782142
   0.88313498  0.47824709  0.26776449
   0.02340402  0.49189674  0.13537776
   0.75647656  0.46321334  0.10736342
   0.67029329  0.21068168  0.38368050
   0.46511702  0.15401454  0.48873799
   0.69508233  0.05922186  0.53899239
   0.88843237  0.24087151  0.79211259
   0.66436259  0.33367495  0.55268756
   0.91542550  0.49761722  0.84972440
   1.13243114  0.55024564  0.58647277
   0.81490637  0.43676368  0.66995332
   0.75191438  0.09070857  0.91766654
   0.49678533  0.07550246  0.96142448
   0.54198305  0.55130544  0.02843300
   0.92852162  0.73327278  0.30148901
   0.60147077  0.82115295  0.04156304
   0.85809502  0.99888228  0.33865970
   0.96603611  0.95180611  0.17656131
   0.72375572  0.83957730  0.20915793
   0.82896195  0.58538360  0.43258101
   0.57061212  0.65829036  0.38256797
   0.60082706  0.57350929  0.54462543
   0.84664493  0.75749207  0.81050381
   0.69081566  0.82270421  0.48930350
   0.96390803  0.97471448  0.82445124
   1.00469441  0.82067844  0.66671255
   0.77357853  0.98674182  0.68492565
   0.76888372  0.64216596  0.97408519
   0.55189564  0.73069324  0.87106903
   0.77905432  0.76249410  0.62436251
   0.90075026  1.04051318  0.56528329
   0.94525975  0.27681972  0.11069341
   0.79296035  1.14927058  0.18243496
   0.38066170  0.08658083  0.65194840
   0.37725450  0.29904554  0.51508714
   0.50355544  1.29972097 -0.09752650
  -0.21139976  1.56720014  0.03475571
   0.67720054  0.40577194  0.83316308
   0.65189929  0.58653298  0.70384674
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840530    0.185134   -0.126034
    -0.000000    9.587872   -0.033252
    -0.000000    0.000000   14.068490
   Si   O    H 
    32    64    10
Direct configuration=  3537
   0.15447907  0.19074776  0.00296170
   0.35711030  0.11385946  0.39842598
   0.17815866  0.45965640  0.10771909
   0.39131606  0.35038576  0.25410207
   0.07145421  0.18421412  0.48314205
   0.38930198  0.10136171  0.87807401
   0.19245475  0.39375079  0.60146398
   0.40508015  0.39822876  0.75570040
   0.17228270  0.72947892 -0.00244795
   0.40762760  0.62425057  0.37312615
   0.12255379  0.96852547  0.14673118
   0.36700150  0.88240859  0.26847445
   0.16177889  0.62316831  0.48153962
   0.39170807  0.71143942  0.83379386
   0.09465801  0.88523743  0.57407224
   0.37729832  0.92970100  0.67848128
   0.63999629  0.13437338  0.99910166
   0.81711509  0.16341274  0.35101159
   0.59824981  0.41913630  0.08913601
   0.89663095  0.39633423  0.16450624
   0.62610504  0.19881569  0.50008364
   0.91316831  0.12203002  0.87206598
   0.64602091  0.46546493  0.63766094
   0.81700568  0.39578225  0.78634504
   0.59819525  0.68896683 -0.02427728
   0.93735697  0.58183985  0.34375748
   0.61411064  0.90433050  0.14162732
   0.86846821  0.87909148  0.25722442
   0.68858725  0.65688943  0.46965081
   0.89573508  0.65472804  0.89013579
   0.68004850  0.89472913  0.59808917
   0.89368744  0.88614669  0.73789236
   0.16953834  0.11960786  0.10609060
   0.38569248  0.19178864  0.29806908
   0.18632893  0.35155812  0.01405856
   0.40615061  0.45756413  0.34215763
   0.52683601  0.36405341  0.18764218
   0.24997423  0.37583427  0.19248769
   0.19690880  0.13202328  0.42744029
  -0.05269233  0.22232041  0.41261244
   0.00381059  0.03260018  0.54719315
   0.46189457  0.26551394  0.83624484
   0.06691799  0.29390782  0.56840769
   0.39905755  0.52687299  0.82377293
   0.49840893  0.39049986  0.66806146
   0.25285497  0.34749977  0.71342442
   0.24279968  0.11867611 -0.08374667
   0.00484034  0.15989858  0.96765599
   0.22510887  0.61341576  0.07311393
   0.34829990  0.71260859  0.28072540
   0.15840434  0.86620715  0.05944570
   0.39429183  0.95301229  0.36817850
   0.46817553  0.90293324  0.18416289
   0.21901949  0.93966834  0.24474176
   0.32697256  0.64230011  0.46881298
   0.07951652  0.54145811  0.39163997
   0.30035915  0.36093231  0.51794633
   0.33728888  0.75675552  0.72600519
   0.09500065  0.78461429  0.47738284
   0.40552490  0.98058057  0.80149246
   0.52966447  0.88103187  0.63786498
   0.24174123  0.91404716  0.60789844
   0.26859093  0.75718363 -0.09231943
   0.03068829  0.70538119  0.95333590
   0.66858513  0.05993997  0.09745851
   0.83431748  0.21459146  0.23591535
   0.60426218  0.29821753  0.01619042
   0.88426255  0.47937317  0.26794926
   0.02239341  0.49449702  0.13609966
   0.75549576  0.46349391  0.10771904
   0.67181641  0.21072974  0.38362774
   0.46645012  0.15317326  0.48987238
   0.69723367  0.05945853  0.53876086
   0.88736894  0.24148133  0.79330821
   0.66351653  0.33286079  0.55303173
   0.91456129  0.49686294  0.84918884
   1.13286520  0.55049009  0.58592525
   0.81335942  0.43555061  0.67005410
   0.75294546  0.08921902  0.91822008
   0.49684906  0.07679876  0.96176942
   0.54133112  0.55186539  0.02846742
   0.92908652  0.73412865  0.30225826
   0.60138345  0.82068674  0.04171210
   0.85740168  0.99947278  0.33798401
   0.96657446  0.95001105  0.17651009
   0.72397082  0.83983488  0.20746872
   0.82794327  0.58666483  0.43266788
   0.57102349  0.65837343  0.38154772
   0.60121840  0.57224832  0.54506989
   0.84692309  0.75782229  0.81048009
   0.69148355  0.82124697  0.48892424
   0.96166661  0.97640833  0.82561756
   1.00717996  0.82133904  0.66642772
   0.77142945  0.98652688  0.68463323
   0.77007173  0.64221673  0.97600604
   0.55207882  0.73326381  0.87091929
   0.77429818  0.76520960  0.62520263
   0.90506601  1.04500597  0.56254496
   0.93912429  0.28205442  0.10667251
   0.79565072  1.14761689  0.18509746
   0.38040877  0.08706074  0.65391637
   0.38322562  0.29631321  0.51237201
   0.49858071  1.30966065 -0.09858956
  -0.21156641  1.56677067  0.02908223
   0.66883946  0.40672657  0.83457999
   0.65098135  0.58823080  0.70075405
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837730    0.184921   -0.125928
    -0.000000    9.588358   -0.031725
    -0.000000    0.000000   14.068136
   Si   O    H 
    32    64    10
Direct configuration=  3538
   0.15509445  0.19197807  0.00300401
   0.35859254  0.11281768  0.39865701
   0.17836548  0.45938744  0.10726315
   0.39105337  0.34964606  0.25431634
   0.07182095  0.18490211  0.48327696
   0.38757555  0.10376781  0.87739307
   0.19325511  0.39338707  0.60091872
   0.40547319  0.39912125  0.75588686
   0.17316327  0.73046321 -0.00183226
   0.40859074  0.62470191  0.37341429
   0.12187540  0.96669903  0.14663239
   0.36709282  0.88200550  0.26844567
   0.16242751  0.62433192  0.48152975
   0.39153283  0.71172774  0.83299724
   0.09493053  0.88542896  0.57478680
   0.37661072  0.92910859  0.67811047
   0.63944717  0.13435029  0.99814938
   0.81837950  0.16292859  0.35188612
   0.59821210  0.41793059  0.08895275
   0.89758397  0.39519679  0.16456622
   0.62705862  0.19904715  0.49887442
   0.91369755  0.12268285  0.87253403
   0.64636250  0.46616811  0.63761671
   0.81675250  0.39690538  0.78686829
   0.59890492  0.68910454 -0.02495985
   0.93629332  0.58261166  0.34418165
   0.61358306  0.90397877  0.14201404
   0.86826170  0.87884524  0.25710456
   0.68775826  0.65786488  0.46971226
   0.89610775  0.65473983  0.89072845
   0.67990961  0.89420203  0.59784071
   0.89291301  0.88715006  0.73676621
   0.16870101  0.11749374  0.10671209
   0.38512407  0.19133247  0.29877739
   0.18655273  0.35206381  0.01419861
   0.40643358  0.45886201  0.34138595
   0.52589630  0.36389830  0.18923509
   0.24992928  0.37681641  0.19357748
   0.19606305  0.12907901  0.42610353
  -0.05265673  0.22183663  0.41181060
   0.00490640  0.03251183  0.54744649
   0.46249304  0.26753913  0.83670055
   0.06636821  0.29371808  0.56855886
   0.40059810  0.52797470  0.82484334
   0.49943564  0.38838183  0.66931245
   0.25128506  0.34807452  0.71333711
   0.24322048  0.11773823 -0.08303950
   0.00296580  0.16003488  0.96739295
   0.22497901  0.61407868  0.07417177
   0.34647476  0.71291529  0.28059948
   0.15593441  0.86718289  0.06025695
   0.39456825  0.95291911  0.36730445
   0.46914677  0.90331457  0.18271598
   0.21913766  0.93869811  0.24561328
   0.32619851  0.64391824  0.46927218
   0.07770542  0.54066656  0.39252800
   0.29957660  0.36110442  0.51859418
   0.33720938  0.75682464  0.72684709
   0.09573110  0.78644553  0.47727010
   0.40468813  0.98146647  0.80202492
   0.52930611  0.87933974  0.63753848
   0.24227600  0.91625637  0.60775437
   0.26901977  0.75750148 -0.09270576
   0.02929159  0.70518949  0.95415132
   0.66844636  0.05926432  0.09883374
   0.83567204  0.21526480  0.23539614
   0.60213264  0.29883106  0.01404613
   0.88484822  0.47941260  0.26742939
   0.02233833  0.49662852  0.13632363
   0.75496550  0.46412249  0.10785496
   0.67345236  0.21113031  0.38363422
   0.46726710  0.15252700  0.49058973
   0.70014060  0.05954209  0.53895852
   0.88767038  0.24131328  0.79458561
   0.66256602  0.33261717  0.55348357
   0.91501541  0.49651527  0.84920711
   1.13376686  0.55055113  0.58497934
   0.81208374  0.43381931  0.67071653
   0.75389510  0.08735053  0.91842720
   0.49688974  0.07783236  0.96245009
   0.54070742  0.55212279  0.02816188
   0.92904991  0.73575272  0.30314260
   0.60129275  0.82095937  0.04156822
   0.85702884  0.99898888  0.33740278
   0.96654458  0.94803716  0.17706766
   0.72436273  0.83975073  0.20581371
   0.82720355  0.58728148  0.43285511
   0.57150745  0.65882640  0.38018323
   0.60237518  0.57156969  0.54547800
   0.84685479  0.75852518  0.81023006
   0.69192692  0.81972822  0.48871487
   0.95945566  0.97818420  0.82647837
   1.00930236  0.82219647  0.66548675
   0.77017617  0.98608516  0.68439277
   0.77193023  0.64154609  0.97783402
   0.55147731  0.73539509  0.87030472
   0.76967309  0.76855298  0.62699067
   0.90632265  1.04785336  0.56082291
   0.93301444  0.28363344  0.09846838
   0.80184593  1.14979038  0.18938821
   0.37810716  0.08565209  0.65463785
   0.38527313  0.29040156  0.51204914
   0.49060686  1.31605857 -0.10231358
  -0.21347111  1.56843879  0.02265300
   0.66384269  0.40506444  0.83267840
   0.64784273  0.59112370  0.70085081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835662    0.184903   -0.125915
    -0.000000    9.588704   -0.030251
    -0.000000    0.000000   14.068322
   Si   O    H 
    32    64    10
Direct configuration=  3539
   0.15643203  0.19249553  0.00252373
   0.35971869  0.11169939  0.39898189
   0.17852138  0.45966360  0.10676612
   0.39136525  0.34878334  0.25425683
   0.07117497  0.18561979  0.48269565
   0.38634169  0.10605249  0.87659996
   0.19411157  0.39298962  0.60078627
   0.40531706  0.40010959  0.75641952
   0.17413405  0.73130038 -0.00139772
   0.40924052  0.62398427  0.37343070
   0.12182706  0.96572051  0.14714112
   0.36750311  0.88090677  0.26786621
   0.16227880  0.62560405  0.48158973
   0.39166814  0.71163583  0.83198772
   0.09565485  0.88557107  0.57521935
   0.37651175  0.92885653  0.67776973
   0.63896467  0.13398098  0.99718687
   0.81936906  0.16255180  0.35286724
   0.59805693  0.41723477  0.08882533
   0.89812662  0.39429933  0.16448650
   0.62795893  0.19954622  0.49791301
   0.91433644  0.12298795  0.87301315
   0.64654309  0.46644125  0.63763741
   0.81696382  0.39780944  0.78676466
   0.59964592  0.68911443 -0.02580914
   0.93524257  0.58367532  0.34451214
   0.61281377  0.90375316  0.14200654
   0.86818535  0.87815129  0.25699181
   0.68651892  0.65841246  0.46946018
   0.89652819  0.65471446  0.89128133
   0.68036239  0.89385357  0.59722141
   0.89206740  0.88859304  0.73546635
   0.16762914  0.11580222  0.10698807
   0.38465885  0.19067167  0.29992443
   0.18626451  0.35297014  0.01402530
   0.40604884  0.46074813  0.34069423
   0.52456886  0.36385610  0.18997125
   0.25058937  0.37901154  0.19477342
   0.19633105  0.12659175  0.42468789
  -0.05290571  0.22143602  0.41097289
   0.00579679  0.03172816  0.54763325
   0.46189535  0.26944269  0.83722566
   0.06523379  0.29267028  0.56860021
   0.40070931  0.52920128  0.82584106
   0.50070471  0.38605694  0.67069375
   0.25029214  0.34949216  0.71350631
   0.24285944  0.11700219 -0.08220156
   0.00146193  0.16057938  0.96696324
   0.22492354  0.61393566  0.07524942
   0.34534754  0.71280544  0.28003035
   0.15256261  0.86767816  0.06077891
   0.39481337  0.95289784  0.36702539
   0.46960372  0.90378987  0.18172890
   0.21938575  0.93806735  0.24613136
   0.32545900  0.64567602  0.46971829
   0.07625016  0.53897560  0.39343925
   0.29960457  0.36043078  0.51927426
   0.33734600  0.75731467  0.72729815
   0.09601129  0.78794109  0.47703224
   0.40458303  0.98180859  0.80271481
   0.52885447  0.87842223  0.63716225
   0.24172829  0.91908621  0.60736067
   0.26957847  0.75763886 -0.09280781
   0.02659026  0.70397396  0.95426549
   0.66783276  0.05956108  0.10022146
   0.83737661  0.21670732  0.23543266
   0.59956814  0.29898883  0.01211232
   0.88559605  0.47878839  0.26698285
   0.02342644  0.49871859  0.13563680
   0.75474375  0.46368404  0.10823713
   0.67346218  0.21124053  0.38326908
   0.46786404  0.15240139  0.49129661
   0.70336864  0.05852318  0.53885338
   0.88781538  0.24169264  0.79556017
   0.66163147  0.33284550  0.55396039
   0.91535165  0.49651582  0.84847408
   1.13548798  0.55040644  0.58406766
   0.81118485  0.43128017  0.67150682
   0.75419887  0.08649611  0.91864167
   0.49684801  0.07883922  0.96282070
   0.53976312  0.55086433  0.02773254
   0.92929403  0.73885273  0.30406494
   0.60075181  0.82154283  0.04136653
   0.85566352  0.99857055  0.33692906
   0.96670124  0.94657099  0.17745539
   0.72580156  0.83934144  0.20485468
   0.82691158  0.58840882  0.43355190
   0.57145194  0.66053787  0.37911265
   0.60207536  0.57176018  0.54563338
   0.84737706  0.75778629  0.80995204
   0.69194910  0.81864297  0.48786860
   0.95823584  0.97997458  0.82711572
   1.01044277  0.82387082  0.66443412
   0.76942208  0.98547270  0.68404125
   0.77376999  0.64219611  0.97897168
   0.55072942  0.73638270  0.86978309
   0.76780823  0.76891173  0.62837120
   0.90840133  1.04691485  0.56009721
   0.92723672  0.28585698  0.09269302
   0.80441273  1.15261260  0.19050174
   0.37674611  0.08120244  0.65428925
   0.38196031  0.28857882  0.51433515
   0.48433036  1.32165320 -0.10605173
  -0.21445860  1.55852153  0.02538976
   0.66444119  0.40511047  0.82777181
   0.64114274  0.58950389  0.70345451
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833875    0.184549   -0.125520
    -0.000000    9.589021   -0.028821
    -0.000000    0.000000   14.068593
   Si   O    H 
    32    64    10
Direct configuration=  3540
   0.15734368  0.19248964  0.00202034
   0.36123180  0.11160795  0.39870735
   0.17811948  0.45995027  0.10578470
   0.39137657  0.34800592  0.25433560
   0.07095818  0.18601480  0.48184411
   0.38517636  0.10783414  0.87559594
   0.19514381  0.39245617  0.60082228
   0.40445858  0.40063393  0.75690176
   0.17503385  0.73197720 -0.00085021
   0.40981578  0.62381009  0.37288773
   0.12152510  0.96517132  0.14803518
   0.36873252  0.87936625  0.26745707
   0.16167290  0.62659458  0.48119067
   0.39131191  0.71131137  0.83101147
   0.09609549  0.88527892  0.57559214
   0.37654580  0.92849165  0.67761315
   0.63935260  0.13282680  0.99587162
   0.81984593  0.16180747  0.35346483
   0.59843019  0.41595037  0.08905737
   0.89829827  0.39340320  0.16408389
   0.62878795  0.19957806  0.49743295
   0.91470624  0.12252775  0.87315287
   0.64706177  0.46719890  0.63706285
   0.81793430  0.39876632  0.78655789
   0.60066733  0.68893205 -0.02598195
   0.93417297  0.58478254  0.34477202
   0.61210168  0.90281967  0.14183794
   0.86852653  0.87803707  0.25683376
   0.68494162  0.65868254  0.46841683
   0.89773084  0.65477170  0.89190369
   0.68079205  0.89401349  0.59630536
   0.89093435  0.88977127  0.73401991
   0.16612013  0.11336160  0.10728718
   0.38495941  0.19104845  0.30085138
   0.18582329  0.35370205  0.01393610
   0.40520956  0.46263838  0.34045594
   0.52370980  0.36403242  0.19014919
   0.25109241  0.38128306  0.19601919
   0.19597027  0.12414149  0.42337557
  -0.05295695  0.22132243  0.41027495
   0.00665771  0.03069468  0.54781665
   0.46039034  0.27029386  0.83655118
   0.06407296  0.29205337  0.56853432
   0.40099746  0.53095184  0.82733890
   0.50279039  0.38418847  0.67188639
   0.25022427  0.35136214  0.71337232
   0.24166426  0.11649632 -0.08139970
   0.00046010  0.16061516  0.96670373
   0.22530512  0.61346399  0.07584174
   0.34461345  0.71254521  0.27960165
   0.14922753  0.86849918  0.06109619
   0.39591074  0.95277814  0.36691668
   0.46984247  0.90384201  0.18163736
   0.21837730  0.93756142  0.24613957
   0.32425843  0.64695977  0.47031367
   0.07465693  0.53837169  0.39459938
   0.30054462  0.35989313  0.51964068
   0.33732713  0.75707975  0.72792588
   0.09630073  0.78858722  0.47686804
   0.40501698  0.98124541  0.80355468
   0.52771631  0.87702076  0.63712527
   0.24143025  0.92108709  0.60609411
   0.27063199  0.75743892 -0.09226165
   0.02283161  0.70295923  0.95398957
   0.66706496  0.05929875  0.10173081
   0.83931660  0.21834482  0.23587241
   0.59726568  0.29911904  0.01006379
   0.88579025  0.47780514  0.26625316
   0.02450959  0.50073162  0.13475328
   0.75486353  0.46357401  0.10871139
   0.67377203  0.21118333  0.38320869
   0.46724970  0.15249756  0.49136280
   0.70608365  0.05809323  0.53863694
   0.88847399  0.24221642  0.79648379
   0.66113045  0.33281049  0.55472415
   0.91490805  0.49736283  0.84758117
   1.13770580  0.55085184  0.58290370
   0.81065082  0.42875420  0.67186463
   0.75346925  0.08609177  0.91855322
   0.49667680  0.07975051  0.96309392
   0.53875491  0.55046064  0.02694050
   0.92960930  0.74098617  0.30531664
   0.60067094  0.82206581  0.04061915
   0.85441745  0.99819567  0.33661371
   0.96609764  0.94537457  0.17729110
   0.72799704  0.83939147  0.20395711
   0.82673138  0.58872150  0.43400160
   0.57175246  0.66146982  0.37868518
   0.60162339  0.57140615  0.54562973
   0.84695314  0.75718656  0.80923502
   0.69191694  0.81880495  0.48718601
   0.95738614  0.98172095  0.82742075
   1.01037446  0.82558302  0.66375282
   0.76928720  0.98375065  0.68356055
   0.77517558  0.64339992  0.97967587
   0.55053421  0.73791404  0.86945080
   0.76310093  0.76697259  0.62791131
   0.90301705  1.04635915  0.56216973
   0.92335990  0.29044725  0.08898933
   0.80151997  1.15039348  0.18598918
   0.37496315  0.07490535  0.65325306
   0.37586455  0.28825478  0.51700192
   0.48414796  1.32828833 -0.10436246
  -0.21613731  1.54935476  0.02865416
   0.67009476  0.40655975  0.82473673
   0.63201611  0.58979663  0.70717562
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832614    0.184506   -0.125431
    -0.000000    9.589479   -0.027193
    -0.000000    0.000000   14.068864
   Si   O    H 
    32    64    10
Direct configuration=  3541
   0.15774222  0.19170400  0.00159539
   0.36211454  0.11101885  0.39855134
   0.17792295  0.45996865  0.10537978
   0.39153184  0.34744194  0.25432530
   0.07082383  0.18618579  0.48088228
   0.38434424  0.10899202  0.87456428
   0.19588598  0.39248503  0.60084411
   0.40277050  0.40052280  0.75760298
   0.17634019  0.73277449 -0.00061503
   0.41001867  0.62359893  0.37196000
   0.12146605  0.96464605  0.14941452
   0.37001246  0.87761439  0.26685042
   0.16082248  0.62783273  0.48066774
   0.39072314  0.71086944  0.83065669
   0.09567785  0.88477394  0.57593255
   0.37741748  0.92852671  0.67747449
   0.63986393  0.13197844  0.99462890
   0.82026458  0.16147148  0.35377023
   0.59840478  0.41530154  0.08923393
   0.89922107  0.39260872  0.16365340
   0.62973087  0.19961880  0.49737151
   0.91433670  0.12243237  0.87349440
   0.64730482  0.46819002  0.63655281
   0.81896586  0.39896748  0.78630303
   0.60179181  0.68845047 -0.02597992
   0.93299098  0.58596379  0.34568078
   0.61168391  0.90292634  0.14160404
   0.86918320  0.87856577  0.25648975
   0.68371806  0.65879526  0.46723149
   0.89907449  0.65508817  0.89268206
   0.68133792  0.89450469  0.59556714
   0.89012314  0.89050997  0.73339460
   0.16576704  0.11137496  0.10776638
   0.38573182  0.19158595  0.30160855
   0.18537194  0.35503420  0.01409025
   0.40508158  0.46298694  0.33989649
   0.52302227  0.36401676  0.18983631
   0.25212509  0.38262780  0.19748835
   0.19642053  0.12253203  0.42219550
  -0.05280862  0.22163636  0.40959374
   0.00701684  0.02937395  0.54696656
   0.45927968  0.27066893  0.83616949
   0.06416615  0.29098461  0.56836904
   0.40018490  0.53313972  0.82860569
   0.50435262  0.38253949  0.67295296
   0.25039767  0.35324240  0.71276876
   0.24000326  0.11581153 -0.08037310
  -0.00038012  0.16031240  0.96618840
   0.22616000  0.61255303  0.07608688
   0.34391797  0.71219008  0.27956341
   0.14679097  0.86934530  0.06146567
   0.39666458  0.95296479  0.36680185
   0.47056394  0.90441559  0.18168782
   0.21767679  0.93778781  0.24598175
   0.32273707  0.64858301  0.47079826
   0.07373688  0.53784771  0.39564494
   0.30161202  0.35913066  0.51980208
   0.33775316  0.75669577  0.72798542
   0.09653005  0.78979705  0.47675995
   0.40504775  0.98139872  0.80380195
   0.52690916  0.87568216  0.63744008
   0.24097106  0.92320413  0.60523381
   0.27164498  0.75623484 -0.09104870
   0.01979257  0.70174520  0.95397012
   0.66574781  0.05912336  0.10301073
   0.84030894  0.22061792  0.23636953
   0.59544776  0.29858318  0.00801191
   0.88591316  0.47607460  0.26602312
   0.02481398  0.50209880  0.13431259
   0.75581687  0.46401894  0.10887641
   0.67397626  0.21116733  0.38353334
   0.46600034  0.15363790  0.49116550
   0.70888354  0.05838765  0.53802518
   0.88957061  0.24204749  0.79711492
   0.66029200  0.33270727  0.55480047
   0.91558475  0.49757997  0.84725834
   1.13972689  0.55072504  0.58192834
   0.81040199  0.42686708  0.67240287
   0.75329576  0.08589379  0.91867237
   0.49629901  0.08137351  0.96277044
   0.53823778  0.55044076  0.02666685
   0.92971386  0.74272381  0.30669870
   0.60034865  0.82189661  0.04028631
   0.85307504  0.99825010  0.33639622
   0.96525516  0.94449558  0.17704064
   0.72950174  0.83944505  0.20335110
   0.82630047  0.58886174  0.43439579
   0.57232012  0.66218703  0.37835834
   0.60046870  0.57100540  0.54608044
   0.84645095  0.75745803  0.80816129
   0.69241094  0.81954863  0.48634567
   0.95750324  0.98215319  0.82748927
   1.01000322  0.82676149  0.66312827
   0.76981423  0.98195168  0.68327632
   0.77677068  0.64384469  0.98038822
   0.55000044  0.73828460  0.86929713
   0.75876984  0.76399007  0.62932035
   0.89993337  1.04388062  0.56101410
   0.92183332  0.28950917  0.08742328
   0.80216269  1.15423338  0.18425123
   0.37127373  0.07208512  0.65241233
   0.37114046  0.28413625  0.51907679
   0.48742912  1.33176276 -0.10349333
  -0.21840318  1.54802199  0.03212784
   0.67745490  0.40838760  0.81920481
   0.62231453  0.58838646  0.71196805
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831309    0.184488   -0.125601
    -0.000000    9.590228   -0.025103
    -0.000000    0.000000   14.069100
   Si   O    H 
    32    64    10
Direct configuration=  3542
   0.15805320  0.19090425  0.00102388
   0.36270832  0.10995033  0.39854640
   0.17765320  0.45989367  0.10523174
   0.39132975  0.34693297  0.25464413
   0.07083855  0.18608638  0.48017930
   0.38417482  0.10939037  0.87371682
   0.19601596  0.39283232  0.60076205
   0.40087573  0.40060912  0.75837900
   0.17773621  0.73303960 -0.00102130
   0.40957727  0.62302985  0.37123620
   0.12206538  0.96443560  0.15128963
   0.37074803  0.87654696  0.26651405
   0.15960339  0.62905993  0.48011114
   0.38934892  0.71056341  0.83080763
   0.09547318  0.88416822  0.57636103
   0.37810271  0.92817658  0.67770738
   0.64003349  0.13100093  0.99364529
   0.82115980  0.16119305  0.35387675
   0.59866503  0.41473172  0.08995768
   0.90090019  0.39162388  0.16308353
   0.63030660  0.19943214  0.49743222
   0.91342170  0.12250063  0.87400145
   0.64713510  0.46926562  0.63609357
   0.81906470  0.39885348  0.78568464
   0.60330281  0.68804994 -0.02547473
   0.93119037  0.58663234  0.34641631
   0.61156949  0.90386255  0.14094581
   0.86954457  0.87909820  0.25590130
   0.68230201  0.65852667  0.46569229
   0.89936306  0.65566543  0.89345109
   0.68184653  0.89480584  0.59507075
   0.88953127  0.89047228  0.73357451
   0.16577455  0.11087150  0.10767222
   0.38586336  0.19124597  0.30159686
   0.18617989  0.35594635  0.01417579
   0.40434686  0.46258823  0.33931939
   0.52217038  0.36515057  0.18890552
   0.25248629  0.38362097  0.19843255
   0.19721702  0.12181329  0.42103667
  -0.05196188  0.22194942  0.40926703
   0.00634606  0.02903231  0.54599674
   0.45882196  0.27073569  0.83677340
   0.06488688  0.29046892  0.56795693
   0.39935904  0.53465271  0.82998753
   0.50689792  0.38155838  0.67386863
   0.24970634  0.35562392  0.71217248
   0.23886333  0.11540475 -0.07951186
  -0.00134650  0.15990927  0.96564814
   0.22695800  0.61174414  0.07585144
   0.34295030  0.71113881  0.28017747
   0.14487536  0.87026985  0.06138752
   0.39781023  0.95253966  0.36680678
   0.46978935  0.90531097  0.18205473
   0.21667687  0.93781186  0.24583935
   0.32109459  0.65003615  0.47085293
   0.07397065  0.53739222  0.39597719
   0.30224069  0.35899058  0.51984760
   0.33786272  0.75649463  0.72784174
   0.09578502  0.79065761  0.47719188
   0.40471749  0.98280837  0.80340692
   0.52545753  0.87488294  0.63752554
   0.24050117  0.92575224  0.60406599
   0.27311924  0.75478964 -0.08975749
   0.01802061  0.70243333  0.95451123
   0.66506916  0.05874394  0.10389559
   0.84103072  0.22288849  0.23697852
   0.59354361  0.29810169  0.00618583
   0.88589482  0.47420267  0.26577878
   0.02612033  0.50301804  0.13351959
   0.75701229  0.46439619  0.10877714
   0.67354616  0.21193884  0.38413046
   0.46477605  0.15476583  0.49115180
   0.71140950  0.05881045  0.53747818
   0.89010639  0.24152347  0.79740899
   0.65988259  0.33283966  0.55459173
   0.91638454  0.49907887  0.84693441
   1.14130923  0.55025791  0.58150595
   0.81025219  0.42425714  0.67343267
   0.75350166  0.08618658  0.91917176
   0.49601615  0.08226699  0.96247897
   0.53794933  0.55075230  0.02606241
   0.93024234  0.74436227  0.30773379
   0.59944620  0.82181897  0.03974157
   0.85253186  0.99714915  0.33645244
   0.96460417  0.94288359  0.17614425
   0.73015838  0.83950359  0.20269802
   0.82491281  0.58808267  0.43470505
   0.57256009  0.66242906  0.37843356
   0.59985479  0.57073269  0.54656306
   0.84576250  0.75817717  0.80785397
   0.69321343  0.82025662  0.48588590
   0.95756946  0.98198223  0.82743476
   1.01077315  0.82735601  0.66283447
   0.77041100  0.98041309  0.68319880
   0.77803878  0.64324075  0.98065730
   0.54919097  0.73878115  0.86964916
   0.75859182  0.76279914  0.63107984
   0.90661166  1.04252022  0.55836409
   0.92056034  0.28945257  0.08824493
   0.80238570  1.16047909  0.18578879
   0.36941116  0.08069080  0.65220899
   0.37017352  0.27660992  0.51951213
   0.49565473  1.33243822 -0.10191888
  -0.22263926  1.54985873  0.03613846
   0.68434504  0.41225306  0.81613614
   0.61470434  0.58278258  0.71765529
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830147    0.185160   -0.125169
    -0.000000    9.591722   -0.023154
    -0.000000    0.000000   14.069124
   Si   O    H 
    32    64    10
Direct configuration=  3543
   0.15782320  0.18960642  0.00082388
   0.36349337  0.10929004  0.39879452
   0.17722320  0.45943723  0.10565113
   0.39055592  0.34666083  0.25493030
   0.07106854  0.18597245  0.47949902
   0.38479480  0.10980259  0.87292228
   0.19606906  0.39309366  0.60093129
   0.39965337  0.40024291  0.75865334
   0.17827192  0.73412374 -0.00086057
   0.40975898  0.62275038  0.37080622
   0.12226816  0.96407993  0.15318593
   0.37137945  0.87537654  0.26635962
   0.15826516  0.63055438  0.47938520
   0.38849976  0.71012699  0.83108401
   0.09506429  0.88409247  0.57657785
   0.37883516  0.92803325  0.67825372
   0.64050279  0.13043394  0.99308383
   0.82184808  0.16108939  0.35381822
   0.59858042  0.41441839  0.09062841
   0.90229950  0.39103577  0.16231770
   0.62993896  0.19889576  0.49771890
   0.91227716  0.12223694  0.87459474
   0.64625255  0.47059709  0.63598122
   0.81939459  0.39854249  0.78482505
   0.60508091  0.68773310 -0.02555753
   0.92880790  0.58740118  0.34664271
   0.61174014  0.90522674  0.14014306
   0.87011560  0.87973513  0.25512112
   0.68004807  0.65809645  0.46453683
   0.89942812  0.65599819  0.89388343
   0.68227992  0.89517340  0.59435364
   0.88873969  0.89062851  0.73416915
   0.16638273  0.11141469  0.10694058
   0.38596982  0.19189299  0.30163581
   0.18777650  0.35697333  0.01406088
   0.40287244  0.46155376  0.33863265
   0.52144232  0.36576991  0.18818202
   0.25223552  0.38425661  0.19916098
   0.19903462  0.12140268  0.41981772
  -0.05094203  0.22245000  0.40907844
   0.00580924  0.02885907  0.54435015
   0.45830533  0.27089251  0.83765192
   0.06534417  0.29049656  0.56793944
   0.39827093  0.53524795  0.83099508
   0.50950140  0.38005743  0.67532223
   0.24848097  0.35671445  0.71144538
   0.23840225  0.11447730 -0.07920868
  -0.00133481  0.15955600  0.96519967
   0.22880849  0.61226651  0.07481151
   0.34202692  0.71015186  0.28044316
   0.14314709  0.87051186  0.06067134
   0.39945080  0.95111153  0.36745562
   0.46823955  0.90640378  0.18264628
   0.21544690  0.93725610  0.24570474
   0.31921783  0.65152180  0.47064089
   0.07455875  0.53719156  0.39647883
   0.30260945  0.35906533  0.51974571
   0.33786529  0.75666673  0.72725401
   0.09483065  0.79028655  0.47835017
   0.40441662  0.98462699  0.80316168
   0.52380927  0.87426116  0.63763478
   0.24076375  0.92812977  0.60329068
   0.27379447  0.75401046 -0.08843929
   0.01738082  0.70357334  0.95566042
   0.66531591  0.05803211  0.10450531
   0.84191179  0.22528185  0.23802069
   0.59251135  0.29887649  0.00509734
   0.88540446  0.47190938  0.26599912
   0.02661347  0.50400034  0.13214711
   0.75839090  0.46423646  0.10854458
   0.67268447  0.21306093  0.38429397
   0.46342620  0.15536415  0.49026204
   0.71321611  0.05985530  0.53616198
   0.89078066  0.24129684  0.79708080
   0.66035167  0.33307880  0.55416745
   0.91741139  0.50070213  0.84715498
   1.14245615  0.55056382  0.58135219
   0.80898569  0.42097584  0.67396910
   0.75339328  0.08729871  0.91911859
   0.49563150  0.08193022  0.96281203
   0.53806016  0.55116222  0.02573203
   0.93091687  0.74545421  0.30892854
   0.59909971  0.82188047  0.03941333
   0.85199502  0.99717820  0.33643769
   0.96360428  0.94143677  0.17535930
   0.73090222  0.83956779  0.20185144
   0.82398490  0.58611795  0.43422980
   0.57261462  0.66288472  0.37849842
   0.59943848  0.56995129  0.54623780
   0.84538303  0.75925616  0.80777861
   0.69361331  0.82126046  0.48574604
   0.95788839  0.98186963  0.82732089
   1.00969319  0.82835046  0.66269401
   0.77113184  0.97832581  0.68318718
   0.77894283  0.64308767  0.98086681
   0.54786413  0.73876197  0.87044278
   0.75754150  0.76303865  0.63175197
   0.91090736  1.04015182  0.55794985
   0.91991904  0.28962922  0.08735272
   0.80599933  1.16537378  0.19040876
   0.37109839  0.08905973  0.65074158
   0.36802733  0.27459586  0.52145058
   0.50049638  1.32293168 -0.10425164
  -0.22149454  1.55558254  0.03903439
   0.68433686  0.41446935  0.81565339
   0.60792964  0.57223904  0.71936314
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829599    0.185988   -0.124069
    -0.000000    9.593589   -0.020784
    -0.000000    0.000000   14.068864
   Si   O    H 
    32    64    10
Direct configuration=  3544
   0.15690708  0.18910469  0.00117909
   0.36436516  0.10855525  0.39898899
   0.17719476  0.45911524  0.10622427
   0.39084165  0.34643086  0.25518136
   0.07167351  0.18540392  0.47910685
   0.38574637  0.10983613  0.87264162
   0.19560866  0.39321347  0.60133079
   0.39808412  0.40007440  0.75884986
   0.17857140  0.73464326 -0.00089856
   0.41040994  0.62263275  0.37079118
   0.12241577  0.96355583  0.15522006
   0.37079167  0.87438530  0.26658371
   0.15660893  0.63084515  0.47839695
   0.38787547  0.71015222  0.83146125
   0.09458238  0.88346388  0.57689388
   0.37896927  0.92850803  0.67922496
   0.64082908  0.12998832  0.99275301
   0.82240699  0.16095575  0.35334100
   0.59842723  0.41391435  0.09131112
   0.90293311  0.39091133  0.16168580
   0.62938043  0.19869855  0.49813007
   0.91105980  0.12174522  0.87535428
   0.64579477  0.47166401  0.63605494
   0.81971930  0.39770376  0.78403733
   0.60682081  0.68669690 -0.02583231
   0.92708638  0.58785719  0.34674167
   0.61221868  0.90628631  0.13907177
   0.87072233  0.88003376  0.25441004
   0.67842745  0.65757167  0.46368843
   0.89966032  0.65636049  0.89374242
   0.68307882  0.89569990  0.59397894
   0.88773802  0.89126784  0.73538583
   0.16647202  0.11267703  0.10549774
   0.38637530  0.19200275  0.30121221
   0.18905477  0.35793020  0.01399673
   0.40180577  0.45933886  0.33856863
   0.52043794  0.36681285  0.18740040
   0.25219272  0.38532031  0.19922283
   0.19952648  0.12085648  0.41902146
  -0.04976321  0.22282068  0.40872302
   0.00545827  0.02946220  0.54297556
   0.45733930  0.27126268  0.83857908
   0.06593604  0.29062274  0.56765377
   0.39741840  0.53508099  0.83185907
   0.51103448  0.37865773  0.67685576
   0.24807128  0.35780717  0.71088865
   0.23758386  0.11346357 -0.07922084
  -0.00133291  0.15919635  0.96493465
   0.23083420  0.61316424  0.07376001
   0.34093901  0.70935703  0.28166662
   0.14123535  0.87056600  0.05992719
   0.40126822  0.94986927  0.36845923
   0.46714340  0.90706029  0.18400273
   0.21459031  0.93673437  0.24573829
   0.31741081  0.65288216  0.47009644
   0.07637417  0.53696326  0.39757397
   0.30406428  0.35870431  0.52002371
   0.33762237  0.75656154  0.72680955
   0.09398355  0.78995946  0.47939631
   0.40410563  0.98598871  0.80234172
   0.52361706  0.87442714  0.63741650
   0.24174694  0.92996870  0.60235037
   0.27488642  0.75385438 -0.08724097
   0.01815382  0.70439312  0.95686620
   0.66533525  0.05840880  0.10523931
   0.84238469  0.22792993  0.23955075
   0.59175755  0.30043445  0.00418339
   0.88358925  0.47010467  0.26622504
   0.02731919  0.50432579  0.13100675
   0.75900035  0.46352273  0.10774524
   0.67234256  0.21407862  0.38510236
   0.46190207  0.15602974  0.48957237
   0.71478649  0.06052943  0.53427519
   0.89058391  0.24169671  0.79675046
   0.66113617  0.33289050  0.55397005
   0.91784666  0.50231944  0.84786470
   1.14397395  0.55098324  0.58140858
   0.80766879  0.41857587  0.67423193
   0.75334808  0.08889788  0.91960306
   0.49428354  0.08032053  0.96265123
   0.53807618  0.55192251  0.02491119
   0.93199588  0.74639063  0.31054461
   0.59866554  0.82153384  0.03940759
   0.85156369  0.99744117  0.33644665
   0.96368725  0.94056453  0.17459720
   0.73162225  0.83929701  0.20174515
   0.82295055  0.58420215  0.43398511
   0.57213373  0.66383690  0.37842776
   0.59878688  0.56988202  0.54595854
   0.84509304  0.76040569  0.80800902
   0.69433136  0.82336736  0.48554937
   0.95830867  0.98141461  0.82658499
   1.00799738  0.82905677  0.66234206
   0.77245233  0.97754992  0.68362632
   0.77895182  0.64298111  0.98081106
   0.54636030  0.73901113  0.87161543
   0.75706690  0.76055994  0.63392159
   0.90943077  1.03702694  0.56072877
   0.91940770  0.28724778  0.08774461
   0.80525029  1.16023481  0.19125417
   0.37662954  0.09466471  0.65180021
   0.36533698  0.27538936  0.52341214
   0.51000546  1.31505831 -0.10595193
  -0.22017040  1.56359945  0.04016522
   0.67807001  0.41804209  0.82063301
   0.60623036  0.56445520  0.71716001
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829405    0.186499   -0.122434
    -0.000000    9.595667   -0.018199
    -0.000000    0.000000   14.068427
   Si   O    H 
    32    64    10
Direct configuration=  3545
   0.15613584  0.18848412  0.00187702
   0.36516421  0.10745232  0.39903010
   0.17784539  0.45873870  0.10682364
   0.39094502  0.34615312  0.25603837
   0.07246147  0.18454931  0.47895735
   0.38645346  0.11046404  0.87228590
   0.19469241  0.39351635  0.60167377
   0.39699440  0.40010998  0.75900359
   0.17868550  0.73544450 -0.00074935
   0.41130487  0.62301974  0.37095113
   0.12286182  0.96259607  0.15637298
   0.36953827  0.87285608  0.26728348
   0.15544693  0.63100249  0.47766929
   0.38685402  0.70996071  0.83168837
   0.09409844  0.88294541  0.57693510
   0.37903927  0.92873006  0.68009195
   0.64026864  0.12958182  0.99260312
   0.82246744  0.16123025  0.35278135
   0.59793823  0.41389713  0.09188958
   0.90276980  0.39118771  0.16109516
   0.62930061  0.19874245  0.49862303
   0.90972091  0.12160871  0.87570586
   0.64516381  0.47225801  0.63632813
   0.81990448  0.39642984  0.78346211
   0.60870412  0.68573389 -0.02585664
   0.92613087  0.58798052  0.34656387
   0.61298397  0.90759574  0.13819625
   0.87155198  0.88008912  0.25346490
   0.67729755  0.65678874  0.46312536
   0.90001791  0.65675498  0.89333030
   0.68362730  0.89620930  0.59372719
   0.88737378  0.89073315  0.73666677
   0.16645188  0.11357150  0.10357937
   0.38691171  0.19143451  0.30064027
   0.18979529  0.35841751  0.01373668
   0.40107145  0.45776973  0.33862913
   0.51968180  0.36672108  0.18640209
   0.25104815  0.38621995  0.19914105
   0.20017631  0.12127044  0.41892826
  -0.04936119  0.22377275  0.40809802
   0.00578268  0.03034828  0.54170894
   0.45561564  0.27220347  0.83903786
   0.06622472  0.29035142  0.56696132
   0.39681031  0.53375622  0.83239185
   0.51176839  0.37791240  0.67855513
   0.24816015  0.35894254  0.70968106
   0.23791630  0.11193448 -0.07967704
  -0.00075476  0.15858301  0.96457362
   0.23268029  0.61344166  0.07270569
   0.33983648  0.70815181  0.28292002
   0.14012166  0.87051972  0.05930612
   0.40303049  0.94825102  0.36986084
   0.46652360  0.90841940  0.18517055
   0.21391467  0.93637723  0.24622268
   0.31601291  0.65494344  0.46935797
   0.07756721  0.53763838  0.39850552
   0.30548132  0.35822031  0.52000345
   0.33709278  0.75714426  0.72631123
   0.09310552  0.78985143  0.48076777
   0.40375199  0.98773659  0.80151300
   0.52391406  0.87511603  0.63762235
   0.24400208  0.93092992  0.60128202
   0.27646411  0.75449973 -0.08618530
   0.01923242  0.70545108  0.95832311
   0.66629372  0.05925621  0.10538793
   0.84282747  0.22977640  0.24080814
   0.59125090  0.30226779  0.00363762
   0.88188948  0.46934429  0.26715699
   0.02718683  0.50471499  0.13042204
   0.75994871  0.46253518  0.10670660
   0.67239881  0.21536390  0.38591650
   0.46018500  0.15658407  0.48871597
   0.71619860  0.06129842  0.53299296
   0.89005264  0.24325171  0.79645047
   0.66289961  0.33186970  0.55368359
   0.91792739  0.50397667  0.84888755
   1.14537182  0.55166898  0.58176923
   0.80668599  0.41723999  0.67405992
   0.75290794  0.09025132  0.91972693
   0.49228480  0.07993161  0.96234606
   0.53799513  0.55236557  0.02419825
   0.93343316  0.74699990  0.31171244
   0.59810249  0.82076210  0.04016359
   0.85062847  0.99723911  0.33635044
   0.96340462  0.94066643  0.17338892
   0.73126255  0.83950138  0.20218022
   0.82163435  0.58225593  0.43422805
   0.57089892  0.66398722  0.37753108
   0.59851040  0.57006332  0.54557032
   0.84445890  0.76118794  0.80837250
   0.69501058  0.82533263  0.48492658
   0.95943331  0.98108536  0.82611161
   1.00564103  0.82950281  0.66330205
   0.77389091  0.97642792  0.68365031
   0.77785044  0.64295770  0.98111800
   0.54378665  0.73946313  0.87258477
   0.75752177  0.75913386  0.63455854
   0.90534388  1.03482680  0.56559316
   0.92272234  0.28210741  0.09098386
   0.80715939  1.15762459  0.19318019
   0.38652197  0.09400418  0.65456842
   0.36607279  0.27571817  0.52766196
   0.52043209  1.30288652 -0.10440991
  -0.22079455  1.57298998  0.04006094
   0.67337612  0.41847606  0.82778270
   0.61142763  0.56392001  0.71380291
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828362    0.187033   -0.120612
    -0.000000    9.597685   -0.015812
    -0.000000    0.000000   14.067689
   Si   O    H 
    32    64    10
Direct configuration=  3546
   0.15455272  0.18804058  0.00277932
   0.36614842  0.10653466  0.39891087
   0.17875424  0.45860084  0.10717977
   0.39184765  0.34581393  0.25711068
   0.07338981  0.18405068  0.47845914
   0.38718708  0.11057871  0.87197118
   0.19347013  0.39387714  0.60184756
   0.39607003  0.40045993  0.75894004
   0.17892002  0.73525240 -0.00050489
   0.41229864  0.62279414  0.37093743
   0.12289167  0.96201667  0.15707684
   0.36818459  0.87184226  0.26799668
   0.15471214  0.63134127  0.47714872
   0.38553854  0.70988640  0.83155887
   0.09376814  0.88282638  0.57712701
   0.37889029  0.92866189  0.68068238
   0.63996529  0.12928962  0.99261570
   0.82239367  0.16202802  0.35238578
   0.59794678  0.41367750  0.09210490
   0.90270443  0.39160446  0.16082361
   0.62919486  0.19824839  0.49931926
   0.90868158  0.12139003  0.87605384
   0.64488485  0.47245072  0.63674981
   0.82044774  0.39519868  0.78318369
   0.61019386  0.68510079 -0.02608373
   0.92496610  0.58786093  0.34625411
   0.61349418  0.90801226  0.13742055
   0.87170604  0.88009094  0.25270737
   0.67660530  0.65597986  0.46271773
   0.90107690  0.65659184  0.89293311
   0.68303125  0.89693016  0.59382817
   0.88735250  0.88895735  0.73826547
   0.16672025  0.11269653  0.10209602
   0.38782696  0.19159387  0.29926410
   0.19045008  0.35869156  0.01329492
   0.40061997  0.45654422  0.33876322
   0.51856561  0.36735455  0.18520266
   0.24944926  0.38623785  0.19924103
   0.20041281  0.12170481  0.41920966
  -0.04913914  0.22444616  0.40721902
   0.00514996  0.03133174  0.54054069
   0.45445445  0.27248382  0.83933165
   0.06687943  0.28934469  0.56688759
   0.39530213  0.53310436  0.83241483
   0.51229116  0.37794116  0.68080016
   0.24862902  0.36002293  0.70858503
   0.23884662  0.11078917 -0.08029504
  -0.00027494  0.15802451  0.96451940
   0.23414462  0.61417239  0.07128476
   0.33860125  0.70654183  0.28403734
   0.13904886  0.87056134  0.05888397
   0.40493760  0.94542826  0.37109266
   0.46704481  0.90941028  0.18662313
   0.21340635  0.93703857  0.24655366
   0.31518187  0.65763909  0.46795563
   0.07780070  0.53850087  0.39928843
   0.30614810  0.35875009  0.51972755
   0.33681724  0.75839140  0.72592377
   0.09185425  0.78995169  0.48227198
   0.40316129  0.98907357  0.80041488
   0.52430738  0.87633641  0.63748601
   0.24620660  0.93145794  0.60044013
   0.27753654  0.75516535 -0.08531104
   0.02150032  0.70667207  0.95950309
   0.66802960  0.06011751  0.10522391
   0.84341792  0.23096363  0.24126012
   0.59096052  0.30399002  0.00317099
   0.87964060  0.46915600  0.26802338
   0.02605517  0.50480669  0.13045842
   0.76091436  0.46141216  0.10562237
   0.67197364  0.21618296  0.38659073
   0.45884169  0.15789466  0.48816176
   0.71791373  0.06240882  0.53154043
   0.88904017  0.24391556  0.79607409
   0.66441019  0.33136497  0.55343378
   0.91802536  0.50635670  0.84907091
   1.14693018  0.55246276  0.58199782
   0.80583231  0.41649134  0.67362081
   0.75287576  0.09181226  0.91990172
   0.49059463  0.08012864  0.96119326
   0.53781309  0.55256739  0.02299647
   0.93541595  0.74740016  0.31287053
   0.59758265  0.82044437  0.04076912
   0.84981391  0.99798293  0.33612406
   0.96373998  0.94182314  0.17214562
   0.73081013  0.83986778  0.20287533
   0.82061920  0.58127446  0.43397234
   0.56907894  0.66408628  0.37604366
   0.59838983  0.57142979  0.54476489
   0.84345670  0.76176899  0.80934213
   0.69500316  0.82698193  0.48422508
   0.96056830  0.98110022  0.82582366
   1.00278102  0.82937216  0.66413069
   0.77549193  0.97577522  0.68380716
   0.77724338  0.64330673  0.98159963
   0.54050255  0.73968556  0.87328548
   0.75377810  0.75618087  0.63505235
   0.90838753  1.03657812  0.56762350
   0.92770678  0.27902003  0.09255424
   0.81236048  1.16370316  0.19575641
   0.39070572  0.08887069  0.65622346
   0.36770185  0.27377233  0.53063804
   0.52956091  1.29003790 -0.10100079
  -0.21971258  1.58064244  0.03764199
   0.67456415  0.41647100  0.83293974
   0.61853703  0.57027423  0.71411365
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827133    0.187611   -0.119161
    -0.000000    9.599963   -0.013509
    -0.000000    0.000000   14.066817
   Si   O    H 
    32    64    10
Direct configuration=  3547
   0.15302805  0.18786394  0.00331292
   0.36703790  0.10555867  0.39884122
   0.17964920  0.45878937  0.10722059
   0.39254942  0.34523005  0.25776857
   0.07403426  0.18342928  0.47838756
   0.38798943  0.11016940  0.87185547
   0.19279301  0.39367041  0.60183819
   0.39492523  0.40048010  0.75869949
   0.17842386  0.73493583 -0.00024591
   0.41269708  0.62256305  0.37110031
   0.12350023  0.96226063  0.15736995
   0.36710858  0.87045404  0.26835189
   0.15420553  0.63154864  0.47702543
   0.38366688  0.70922220  0.83128062
   0.09327866  0.88251130  0.57784138
   0.37864457  0.92908788  0.68054282
   0.63947736  0.12939563  0.99337464
   0.82280486  0.16321473  0.35159475
   0.59811158  0.41359677  0.09195206
   0.90264137  0.39193161  0.16071429
   0.62915746  0.19733501  0.49968963
   0.90724237  0.12143771  0.87644935
   0.64470883  0.47179688  0.63711212
   0.82044903  0.39448269  0.78293791
   0.61124599  0.68461640 -0.02654715
   0.92407139  0.58656782  0.34603703
   0.61327667  0.90824121  0.13678231
   0.87205476  0.88002128  0.25240033
   0.67568020  0.65547516  0.46312984
   0.90218015  0.65675222  0.89237727
   0.68281314  0.89681817  0.59460682
   0.88780756  0.88706874  0.74026457
   0.16686240  0.11245410  0.10016502
   0.38849017  0.19145292  0.29817567
   0.19075227  0.35878596  0.01243679
   0.40031869  0.45629507  0.33897186
   0.51777372  0.36754470  0.18322518
   0.24732623  0.38613607  0.19961220
   0.20056168  0.12233453  0.41944361
  -0.04910764  0.22502374  0.40665441
   0.00367483  0.03238105  0.53966806
   0.45341688  0.27210747  0.84004537
   0.06759190  0.28938141  0.56715495
   0.39420846  0.53210788  0.83272876
   0.51218376  0.37835631  0.68246213
   0.24909503  0.36099449  0.70771355
   0.23983958  0.10847777 -0.08091164
   0.00009536  0.15799312  0.96469871
   0.23478274  0.61433421  0.06976877
   0.33694953  0.70515376  0.28457310
   0.13794494  0.87092833  0.05823725
   0.40725419  0.94220738  0.37279135
   0.46780967  0.91016597  0.18800739
   0.21324546  0.93783965  0.24704322
   0.31412887  0.65938717  0.46607193
   0.07854157  0.53945076  0.40004674
   0.30702601  0.35921077  0.51955021
   0.33686232  0.75972584  0.72555426
   0.08971545  0.79010055  0.48378569
   0.40275036  0.99008277  0.79918950
   0.52503329  0.87713604  0.63649426
   0.24777990  0.93184744  0.59989486
   0.27879753  0.75546825 -0.08468987
   0.02331870  0.70798681  0.96073558
   0.66949257  0.06115048  0.10428346
   0.84314691  0.23251019  0.24105266
   0.59087680  0.30495257  0.00213727
   0.87801914  0.46968517  0.26863963
   0.02391277  0.50520480  0.13115882
   0.76124775  0.46070088  0.10429366
   0.67126644  0.21645816  0.38693787
   0.45735253  0.15989964  0.48765562
   0.72022326  0.06261204  0.53049518
   0.88820509  0.24479004  0.79573034
   0.66557771  0.33069689  0.55352542
   0.91871038  0.50813896  0.84936236
   1.14862581  0.55385390  0.58234030
   0.80456819  0.41562813  0.67313902
   0.75360459  0.09306638  0.91949206
   0.48871467  0.08079145  0.96065629
   0.53775806  0.55226343  0.02198915
   0.93758009  0.74793865  0.31386255
   0.59662706  0.81899349  0.04110369
   0.84940448  0.99867778  0.33640096
   0.96363675  0.94330341  0.17065118
   0.73026097  0.84005817  0.20417813
   0.81967139  0.58040795  0.43408857
   0.56796971  0.66499249  0.37499674
   0.59854507  0.57283505  0.54343960
   0.84280747  0.76246872  0.81063414
   0.69458260  0.82718510  0.48329871
   0.96172503  0.98089244  0.82521814
   1.00052495  0.82919146  0.66518319
   0.77643108  0.97538825  0.68410015
   0.77684572  0.64348955  0.98169829
   0.53782526  0.74022462  0.87436468
   0.75017681  0.75825008  0.63249147
   0.91617442  1.03395323  0.56661981
   0.93508449  0.27521528  0.09393825
   0.81867452  1.16633788  0.19484425
   0.39234161  0.07743886  0.65595580
   0.36961304  0.27396635  0.53051494
   0.53385877  1.28430616 -0.09820666
  -0.21524476  1.58015560  0.03990506
   0.68165208  0.41526581  0.83701947
   0.62650498  0.57970298  0.71731719
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825657    0.188463   -0.117169
    -0.000000    9.602520   -0.011510
    -0.000000    0.000000   14.065713
   Si   O    H 
    32    64    10
Direct configuration=  3548
   0.15191560  0.18835667  0.00347102
   0.36765351  0.10434879  0.39909965
   0.18012175  0.45914880  0.10714890
   0.39305428  0.34490763  0.25813278
   0.07440560  0.18327175  0.47850952
   0.38838307  0.11001257  0.87187918
   0.19218801  0.39293642  0.60193048
   0.39370939  0.40134424  0.75781731
   0.17821021  0.73420243  0.00001055
   0.41222465  0.62161784  0.37161732
   0.12369435  0.96314230  0.15705255
   0.36600436  0.86922465  0.26874625
   0.15387453  0.63126920  0.47725792
   0.38185771  0.70815648  0.83122574
   0.09290076  0.88196902  0.57877899
   0.37870554  0.92953981  0.68017848
   0.63858513  0.12945951  0.99440566
   0.82337278  0.16427895  0.35088686
   0.59794450  0.41354234  0.09168755
   0.90258331  0.39234544  0.16074787
   0.62987091  0.19605248  0.49960189
   0.90631715  0.12183266  0.87686529
   0.64373155  0.47144607  0.63730245
   0.82005432  0.39405084  0.78285589
   0.61217296  0.68381667 -0.02755874
   0.92329720  0.58552874  0.34597081
   0.61303279  0.90836040  0.13636762
   0.87234078  0.87961992  0.25233997
   0.67594380  0.65508725  0.46352661
   0.90337378  0.65690788  0.89171644
   0.68300669  0.89644408  0.59531521
   0.88829562  0.88566247  0.74254100
   0.16688153  0.11156466  0.09923786
   0.38961499  0.19085076  0.29690464
   0.19090004  0.35914904  0.01158745
   0.40012066  0.45607430  0.33986408
   0.51731791  0.36763403  0.18114439
   0.24557057  0.38541336  0.20023167
   0.20069673  0.12253756  0.42020783
  -0.04845521  0.22500486  0.40541781
   0.00291065  0.03274580  0.53866260
   0.45245071  0.27183118  0.84118784
   0.06861028  0.28925896  0.56803509
   0.39303682  0.53147630  0.83321966
   0.51161629  0.37826120  0.68359247
   0.24915850  0.36127839  0.70727770
   0.24091987  0.10671672 -0.08148396
   0.00092414  0.15819401  0.96520658
   0.23544579  0.61382993  0.06899664
   0.33569974  0.70397133  0.28482219
   0.13734100  0.87084586  0.05784201
   0.40956563  0.93934196  0.37486259
   0.46872077  0.91175550  0.18919754
   0.21339922  0.93919444  0.24784379
   0.31416205  0.66012304  0.46403305
   0.07858082  0.53972432  0.40108749
   0.30752863  0.35952182  0.51931067
   0.33717052  0.76154614  0.72539794
   0.08723797  0.79071310  0.48538653
   0.40261696  0.99012277  0.79777144
   0.52691879  0.87901125  0.63622754
   0.24856706  0.93219007  0.59872270
   0.27946494  0.75587232 -0.08444569
   0.02472413  0.70886894  0.96118787
   0.67112099  0.06317835  0.10355461
   0.84379487  0.23353767  0.24138995
   0.59161829  0.30532054  0.00163644
   0.87699177  0.47063783  0.26966219
   0.02174634  0.50571151  0.13210022
   0.76020562  0.45950274  0.10326531
   0.67042658  0.21663825  0.38728187
   0.45626620  0.16139660  0.48669291
   0.72238818  0.06295872  0.52917198
   0.88732501  0.24522619  0.79608607
   0.66667449  0.33074064  0.55379436
   0.91904554  0.50818565  0.84902657
   1.14969779  0.55516155  0.58271734
   0.80293429  0.41541952  0.67262024
   0.75412975  0.09446047  0.91883266
   0.48700596  0.08148542  0.95977480
   0.53832423  0.55210546  0.02165405
   0.93930722  0.74852743  0.31444843
   0.59535704  0.81818339  0.04154974
   0.84868239  0.99928573  0.33589933
   0.96289208  0.94485011  0.16925647
   0.73007095  0.84019481  0.20580153
   0.81853658  0.57980092  0.43385282
   0.56700460  0.66575060  0.37339144
   0.59907533  0.57437971  0.54253302
   0.84149659  0.76292088  0.81136123
   0.69422153  0.82706940  0.48273023
   0.96250627  0.97988670  0.82449942
   0.99833373  0.82865644  0.66671468
   0.77650104  0.97570164  0.68437971
   0.77616729  0.64385323  0.98187822
   0.53579295  0.74028353  0.87585261
   0.74641199  0.76146282  0.62862095
   0.91560188  1.03574809  0.56659372
   0.94304124  0.27521635  0.09685197
   0.82216119  1.16089534  0.18970993
   0.39270728  0.07220544  0.65652157
   0.36879704  0.27761839  0.52910611
   0.53343530  1.28520521 -0.09927841
  -0.20952008  1.57356872  0.04233273
   0.69282263  0.41182652  0.83888876
   0.64107670  0.58827965  0.71723873
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824214    0.189605   -0.114929
    -0.000000    9.605334   -0.009571
    -0.000000    0.000000   14.064041
   Si   O    H 
    32    64    10
Direct configuration=  3549
   0.15075246  0.18921482  0.00295255
   0.36778586  0.10270099  0.39935915
   0.18070700  0.45885991  0.10722928
   0.39335154  0.34472796  0.25829950
   0.07491478  0.18271474  0.47850861
   0.38797679  0.10998096  0.87195685
   0.19141598  0.39185101  0.60194932
   0.39242649  0.40187425  0.75712490
   0.17801761  0.73327229  0.00024254
   0.41223528  0.62005140  0.37203971
   0.12392852  0.96388180  0.15656301
   0.36462584  0.86755152  0.26921358
   0.15360856  0.63153354  0.47832778
   0.38018802  0.70784585  0.83146732
   0.09226024  0.88194264  0.58015952
   0.37903751  0.92945706  0.68060268
   0.63764330  0.12951633  0.99538850
   0.82421550  0.16508217  0.35011387
   0.59782674  0.41327297  0.09090898
   0.90294737  0.39264409  0.16012425
   0.63125894  0.19440351  0.49984324
   0.90510630  0.12158998  0.87658143
   0.64294101  0.47125056  0.63749889
   0.81935614  0.39395591  0.78268164
   0.61330555  0.68293358 -0.02860022
   0.92346592  0.58437367  0.34577204
   0.61267766  0.90873337  0.13618141
   0.87299382  0.87949348  0.25301754
   0.67688683  0.65477760  0.46379411
   0.90474658  0.65752305  0.89165359
   0.68327966  0.89576213  0.59636868
   0.88867674  0.88455017  0.74462317
   0.16682956  0.10978607  0.09833886
   0.39078315  0.19019387  0.29571120
   0.19158802  0.35885193  0.01102698
   0.39926206  0.45590474  0.34091210
   0.51687110  0.36738818  0.17958166
   0.24409977  0.38480654  0.20117720
   0.20109624  0.12175984  0.42078915
  -0.04785052  0.22414238  0.40433575
   0.00332025  0.03297225  0.53748560
   0.45164635  0.27080612  0.84284104
   0.06989957  0.28932847  0.56876537
   0.39195742  0.53151460  0.83305577
   0.51085970  0.37885037  0.68425832
   0.24837930  0.36183280  0.70728563
   0.24133149  0.10548697 -0.08157411
   0.00186459  0.15831174  0.96572414
   0.23497697  0.61269791  0.06828050
   0.33504502  0.70309175  0.28469374
   0.13697086  0.87035789  0.05797923
   0.41114129  0.93717323  0.37695998
   0.46964197  0.91300810  0.19007540
   0.21397064  0.94040242  0.24878161
   0.31414206  0.66027215  0.46158707
   0.07788450  0.53979089  0.40143036
   0.30690579  0.35990146  0.51947700
   0.33677020  0.76292069  0.72549189
   0.08532884  0.79096345  0.48634276
   0.40284536  0.99008865  0.79656060
   0.52820212  0.88089400  0.63555763
   0.24868103  0.93182446  0.59794969
   0.28046331  0.75593659 -0.08474095
   0.02554723  0.70912857  0.96040394
   0.67298276  0.06463128  0.10226945
   0.84497222  0.23279923  0.24124428
   0.59218921  0.30474995  0.00093221
   0.87621035  0.47198869  0.27037995
   0.01917794  0.50558344  0.13315174
   0.75911716  0.45842920  0.10293429
   0.66979663  0.21636642  0.38740899
   0.45517234  0.16339917  0.48576066
   0.72449498  0.06247373  0.52801381
   0.88731729  0.24498400  0.79670689
   0.66744653  0.33146372  0.55409799
   0.91909615  0.50859123  0.84842482
   1.15060085  0.55589996  0.58277346
   0.80160184  0.41484857  0.67171619
   0.75396363  0.09655167  0.91805773
   0.48489606  0.08235233  0.95989994
   0.53844038  0.55180243  0.02147410
   0.94150287  0.74903519  0.31448131
   0.59383610  0.81755733  0.04212159
   0.84787265  0.99862535  0.33558059
   0.96205233  0.94685002  0.16850763
   0.72935939  0.83991095  0.20722815
   0.81736849  0.57937234  0.43401851
   0.56569494  0.66615858  0.37177905
   0.59864675  0.57540657  0.54279395
   0.84016593  0.76329412  0.81200198
   0.69387711  0.82695789  0.48260701
   0.96237486  0.97949159  0.82387475
   0.99592438  0.82972600  0.66787449
   0.77651765  0.97601363  0.68471640
   0.77578539  0.64371930  0.98143867
   0.53366767  0.73953572  0.87690306
   0.74765378  0.76130802  0.62386888
   0.90441291  1.03925377  0.56845346
   0.94616526  0.27865010  0.10381786
   0.82430565  1.16047176  0.18945283
   0.39621929  0.07546055  0.65588079
   0.37258666  0.28039600  0.52722481
   0.52815657  1.29444551 -0.10133311
  -0.20724355  1.57111652  0.04325869
   0.70204764  0.40577947  0.84218620
   0.65650675  0.59109047  0.71262308
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823058    0.191350   -0.112926
    -0.000000    9.608267   -0.007228
    -0.000000    0.000000   14.062336
   Si   O    H 
    32    64    10
Direct configuration=  3550
   0.15007314  0.19009624  0.00193845
   0.36795858  0.10088443  0.39952929
   0.18156896  0.45854747  0.10711720
   0.39298127  0.34532913  0.25847030
   0.07443188  0.18244680  0.47866005
   0.38667656  0.10953786  0.87192166
   0.19095979  0.39082712  0.60173250
   0.39130424  0.40220922  0.75634033
   0.17782885  0.73314182  0.00051024
   0.41176291  0.61895157  0.37246831
   0.12475206  0.96433657  0.15533107
   0.36359287  0.86605162  0.26995698
   0.15303418  0.63227593  0.47907892
   0.37852033  0.70695143  0.83153514
   0.09120110  0.88263291  0.58176513
   0.37935032  0.92970674  0.68105781
   0.63676794  0.12993640  0.99648484
   0.82524747  0.16533633  0.34940587
   0.59795641  0.41351304  0.08986475
   0.90361494  0.39389525  0.15996611
   0.63300869  0.19290854  0.50038388
   0.90408761  0.12139851  0.87657135
   0.64190990  0.47144088  0.63724179
   0.81947634  0.39400836  0.78244275
   0.61379844  0.68240213 -0.02954773
   0.92388464  0.58280538  0.34586995
   0.61247637  0.90933546  0.13610230
   0.87332335  0.87926060  0.25396338
   0.67752647  0.65527827  0.46422085
   0.90643695  0.65736637  0.89175591
   0.68342654  0.89498388  0.59782230
   0.88848899  0.88300658  0.74603959
   0.16673545  0.10839850  0.09828898
   0.39111163  0.18916053  0.29500268
   0.19201433  0.35828654  0.01084451
   0.39902997  0.45561245  0.34206162
   0.51586167  0.36694063  0.17881067
   0.24257725  0.38346571  0.20195313
   0.20226844  0.12009301  0.42112734
  -0.04751695  0.22233109  0.40317433
   0.00314251  0.03322920  0.53683683
   0.45011697  0.26997778  0.84425069
   0.07088488  0.28788623  0.56985140
   0.39101259  0.53122347  0.83233312
   0.51179047  0.37957290  0.68462524
   0.24764061  0.36279195  0.70711345
   0.24232060  0.10554332 -0.08173658
   0.00252429  0.15911111  0.96684468
   0.23536956  0.61159899  0.06787742
   0.33408051  0.70384585  0.28474469
   0.13717463  0.86971960  0.05877269
   0.41180583  0.93577843  0.37881384
   0.47085222  0.91492409  0.19105867
   0.21402319  0.94127400  0.24975347
   0.31381196  0.65974828  0.45914751
   0.07647957  0.53976618  0.40180802
   0.30668594  0.36050074  0.51975338
   0.33676347  0.76452275  0.72550065
   0.08253670  0.79164291  0.48657129
   0.40275442  0.98949339  0.79483145
   0.52925754  0.88244108  0.63495166
   0.24850611  0.93080341  0.59755240
   0.28102918  0.75587910 -0.08451589
   0.02623270  0.70933199  0.95921787
   0.67486454  0.06529449  0.10054052
   0.84564960  0.23072643  0.24031058
   0.59274788  0.30409400  0.00016635
   0.87520310  0.47314051  0.27067102
   0.01710691  0.50538888  0.13360998
   0.75856950  0.45683295  0.10290120
   0.67044205  0.21619637  0.38718039
   0.45494712  0.16559280  0.48500482
   0.72633762  0.06199661  0.52728590
   0.88722207  0.24431654  0.79782781
   0.66819231  0.33142033  0.55437960
   0.91951334  0.50913476  0.84740987
   1.15062105  0.55626759  0.58307887
   0.79997480  0.41457814  0.67128242
   0.75393103  0.09878336  0.91729679
   0.48378513  0.08310561  0.96044002
   0.53917680  0.55111628  0.02061576
   0.94353977  0.74957058  0.31416509
   0.59252750  0.81691364  0.04259679
   0.84735528  0.99847606  0.33566192
   0.96146048  0.94881022  0.16842952
   0.72892987  0.83925935  0.20816727
   0.81644111  0.57772816  0.43429234
   0.56558712  0.66648076  0.37027603
   0.59757189  0.57746443  0.54336789
   0.83834938  0.76268583  0.81312183
   0.69377809  0.82651538  0.48286160
   0.96136819  0.97939122  0.82344995
   0.99318699  0.82968744  0.66858738
   0.77654879  0.97649817  0.68521183
   0.77694361  0.64240777  0.98096733
   0.53154616  0.73928611  0.87767343
   0.75027585  0.76100856  0.61954846
   0.90159842  1.04217193  0.56643109
   0.95032205  0.27735976  0.10717359
   0.82713351  1.16349331  0.19074355
   0.39897411  0.08367444  0.65556987
   0.37610478  0.28244713  0.52496620
   0.51984746  1.30399202 -0.10136382
  -0.20861246  1.56967076  0.04319345
   0.70450264  0.40156028  0.84624016
   0.66128457  0.59436331  0.70589495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821727    0.193080   -0.110929
    -0.000000    9.610892   -0.005235
    -0.000000    0.000000   14.060980
   Si   O    H 
    32    64    10
Direct configuration=  3551
   0.15003878  0.19105669  0.00091896
   0.36790806  0.09899845  0.39969976
   0.18192726  0.45847629  0.10675074
   0.39193966  0.34553409  0.25864635
   0.07373788  0.18234022  0.47891869
   0.38557145  0.10932758  0.87147869
   0.19017057  0.39071596  0.60088175
   0.39050125  0.40238117  0.75603598
   0.17831025  0.73265088  0.00080809
   0.41061021  0.61787367  0.37240251
   0.12569352  0.96455982  0.15337200
   0.36267846  0.86452821  0.27057770
   0.15344748  0.63325560  0.48013657
   0.37711550  0.70568412  0.83136618
   0.09083793  0.88408660  0.58366947
   0.38002170  0.93018867  0.68137740
   0.63531191  0.13092487  0.99741352
   0.82564793  0.16591573  0.34852558
   0.59786015  0.41446720  0.08866368
   0.90365708  0.39467982  0.16014857
   0.63362145  0.19195331  0.50071163
   0.90320620  0.12061446  0.87641537
   0.64086541  0.47174402  0.63713486
   0.81949244  0.39417599  0.78232005
   0.61359322  0.68216821 -0.03026417
   0.92396447  0.58126996  0.34606302
   0.61242166  0.90954426  0.13623981
   0.87341338  0.87897804  0.25463834
   0.67770008  0.65564201  0.46453636
   0.90746580  0.65720401  0.89214276
   0.68296706  0.89411394  0.59870066
   0.88877609  0.88219564  0.74719575
   0.16775045  0.10646541  0.09888651
   0.39216987  0.18830960  0.29459231
   0.19228799  0.35733604  0.01078061
   0.39920429  0.45563450  0.34298798
   0.51433314  0.36592149  0.17812045
   0.24130029  0.38253979  0.20244431
   0.20345116  0.11816829  0.42151157
  -0.04681261  0.22160017  0.40280370
   0.00230197  0.03337222  0.53665226
   0.44902585  0.27021396  0.84551063
   0.07207471  0.28693887  0.57076189
   0.38984724  0.53054149  0.83203440
   0.51337742  0.38020586  0.68503209
   0.24636921  0.36502358  0.70660424
   0.24328565  0.10651571 -0.08190383
   0.00211277  0.16011982  0.96736356
   0.23501800  0.61054976  0.06732593
   0.33270052  0.70383586  0.28457894
   0.13796923  0.86892617  0.05967392
   0.41225769  0.93435788  0.38017740
   0.47236022  0.91737158  0.19192875
   0.21411871  0.94162133  0.25093449
   0.31370750  0.65916005  0.45709419
   0.07507331  0.53944938  0.40197995
   0.30596072  0.36011946  0.51981461
   0.33685663  0.76612206  0.72586210
   0.08047918  0.79079975  0.48653163
   0.40225082  0.98927439  0.79369689
   0.53109431  0.88404889  0.63457329
   0.24809165  0.92933954  0.59742813
   0.28067881  0.75579182 -0.08404976
   0.02656536  0.70962441  0.95827297
   0.67610091  0.06556630  0.09878936
   0.84587899  0.22948844  0.23908483
   0.59365501  0.30337781 -0.00007769
   0.87415302  0.47443574  0.27029471
   0.01665228  0.50514077  0.13452507
   0.75765838  0.45526777  0.10278214
   0.67163054  0.21611352  0.38659095
   0.45541657  0.16761487  0.48509041
   0.72820015  0.06133135  0.52704101
   0.88721086  0.24343258  0.79926082
   0.66892233  0.33073830  0.55411367
   0.91888874  0.51031472  0.84672335
   1.14993584  0.55656797  0.58288569
   0.79875907  0.41474685  0.67113120
   0.75365040  0.10019872  0.91677346
   0.48358786  0.08417430  0.96103971
   0.53970985  0.55045313  0.02059369
   0.94580357  0.74995298  0.31378218
   0.59132773  0.81615224  0.04281726
   0.84613604  0.99876079  0.33561048
   0.96060261  0.95090231  0.16832421
   0.72845665  0.83904613  0.20955920
   0.81529365  0.57510953  0.43468653
   0.56586367  0.66629825  0.36905165
   0.59612725  0.57819371  0.54435647
   0.83614944  0.76285544  0.81384002
   0.69397613  0.82586904  0.48307355
   0.96058338  0.97936054  0.82357992
   0.99094319  0.83007531  0.66924353
   0.77629999  0.97729515  0.68585763
   0.77765546  0.64129771  0.98033395
   0.53054289  0.74034338  0.87874087
   0.75659591  0.75647436  0.61387998
   0.90787185  1.04853471  0.55908402
   0.95565601  0.27481613  0.10655201
   0.82941099  1.16557350  0.19003210
   0.39993207  0.08896343  0.65454055
   0.37932920  0.28232351  0.51870350
   0.51249977  1.31395473 -0.10057830
  -0.21062665  1.57232959  0.04082131
   0.70331311  0.39712805  0.84755959
   0.65988065  0.59523394  0.70064796
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820486    0.194480   -0.108475
    -0.000000    9.613602   -0.003077
    -0.000000    0.000000   14.059676
   Si   O    H 
    32    64    10
Direct configuration=  3552
   0.15040142  0.19215580 -0.00018375
   0.36735421  0.09748214  0.39924365
   0.18213229  0.45866269  0.10632557
   0.39065025  0.34586091  0.25917793
   0.07213450  0.18175123  0.47912146
   0.38483690  0.10879695  0.87067593
   0.18937466  0.39099540  0.59960425
   0.39017715  0.40173464  0.75620925
   0.17871313  0.73238776  0.00139157
   0.40946799  0.61709871  0.37241597
   0.12595771  0.96490119  0.15191735
   0.36154011  0.86307797  0.27124993
   0.15326728  0.63385266  0.48091226
   0.37612730  0.70527752  0.83110292
   0.09044360  0.88514900  0.58536665
   0.38012971  0.93061822  0.68168094
   0.63392118  0.13184702  0.99798718
   0.82626331  0.16656838  0.34778778
   0.59852506  0.41649876  0.08719447
   0.90396794  0.39530400  0.16067752
   0.63440436  0.19121343  0.50098674
   0.90232209  0.12046128  0.87619393
   0.63950587  0.47203356  0.63648698
   0.81969070  0.39445523  0.78255251
   0.61324104  0.68188425 -0.03031064
   0.92397846  0.58033575  0.34692395
   0.61262379  0.91026629  0.13645216
   0.87369757  0.87915926  0.25531582
   0.67776856  0.65587460  0.46453063
   0.90809630  0.65702950  0.89230834
   0.68287581  0.89295601  0.59950674
   0.88875717  0.88191518  0.74821456
   0.16756496  0.10451140  0.10006744
   0.39297514  0.18723810  0.29464919
   0.19135066  0.35548355  0.01115708
   0.39959366  0.45558353  0.34432904
   0.51352068  0.36442918  0.17734267
   0.24077560  0.38070441  0.20284181
   0.20446373  0.11630293  0.42209122
  -0.04530831  0.22084729  0.40273461
   0.00176570  0.03328258  0.53665890
   0.44754947  0.27013342  0.84562818
   0.07304047  0.28505534  0.57149505
   0.38901369  0.52958392  0.83172769
   0.51455056  0.38165788  0.68534881
   0.24516710  0.36661406  0.70684746
   0.24420717  0.10880728 -0.08149948
   0.00095918  0.16133962  0.96691400
   0.23478040  0.60868098  0.06766515
   0.33149622  0.70426038  0.28459306
   0.13852879  0.86873110  0.06075254
   0.41222991  0.93403371  0.38103217
   0.47306139  0.91985648  0.19263040
   0.21391480  0.94174674  0.25242816
   0.31386115  0.65756595  0.45488770
   0.07397626  0.53926104  0.40190293
   0.30508254  0.36012115  0.51987297
   0.33680467  0.76809071  0.72619678
   0.07817445  0.78984132  0.48682965
   0.40185699  0.98940221  0.79231952
   0.53279026  0.88503500  0.63452488
   0.24763411  0.92726158  0.59737588
   0.28087460  0.75550547 -0.08353646
   0.02658647  0.70949203  0.95726884
   0.67700423  0.06554940  0.09745439
   0.84588541  0.22943889  0.23766169
   0.59423887  0.30206476 -0.00039954
   0.87322509  0.47529831  0.26990411
   0.01696256  0.50482892  0.13510315
   0.75732318  0.45301827  0.10280555
   0.67310562  0.21562003  0.38595739
   0.45673219  0.16980447  0.48504636
   0.72974169  0.06028682  0.52700509
   0.88706796  0.24202147  0.80136936
   0.66838191  0.33004416  0.55414283
   0.91909328  0.51123172  0.84536408
   1.14914052  0.55645426  0.58299783
   0.79842281  0.41478003  0.67111148
   0.75261673  0.10187119  0.91638242
   0.48277745  0.08562400  0.96169007
   0.54071962  0.54908519  0.02035705
   0.94712866  0.75033330  0.31383850
   0.59009060  0.81452609  0.04313182
   0.84506178  1.00043389  0.33499325
   0.96048166  0.95215117  0.16802631
   0.72775163  0.83901843  0.21079376
   0.81540914  0.57243636  0.43458765
   0.56598649  0.66583277  0.36802768
   0.59472304  0.57824684  0.54521732
   0.83384025  0.76297765  0.81440141
   0.69442607  0.82584727  0.48332396
   0.95942712  0.97931878  0.82341319
   0.98958764  0.83039059  0.66924331
   0.77659333  0.97879787  0.68683640
   0.77720266  0.63969758  0.97956117
   0.53008516  0.74074830  0.87945861
   0.76422956  0.75428941  0.61101765
   0.90477985  1.05172499  0.55496908
   0.95769010  0.27411359  0.10720722
   0.82706757  1.16180173  0.18580518
   0.39692094  0.09217653  0.65209878
   0.37748211  0.28140756  0.51463163
   0.50534084  1.32089176 -0.10070333
  -0.21212010  1.57373697  0.03694199
   0.69646236  0.39313120  0.84789091
   0.65116538  0.59883189  0.70031710
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819162    0.195867   -0.105828
    -0.000000    9.615840   -0.000670
    -0.000000    0.000000   14.057936
   Si   O    H 
    32    64    10
Direct configuration=  3553
   0.15063657  0.19272839 -0.00084427
   0.36705878  0.09622296  0.39878423
   0.18173804  0.45900586  0.10632913
   0.38963452  0.34583383  0.25899667
   0.07175620  0.18164776  0.47916448
   0.38455533  0.10874216  0.86999640
   0.18901606  0.39114105  0.59828776
   0.39015246  0.40171017  0.75672498
   0.17904676  0.73312184  0.00258961
   0.40890416  0.61602425  0.37206735
   0.12638063  0.96560280  0.15023360
   0.36075016  0.86227723  0.27196449
   0.15321528  0.63409992  0.48119762
   0.37562250  0.70505270  0.82994251
   0.08961889  0.88566792  0.58699289
   0.38068111  0.93109929  0.68137181
   0.63283949  0.13312462  0.99785756
   0.82660507  0.16793975  0.34717718
   0.59955189  0.41847485  0.08568373
   0.90436131  0.39554331  0.16148393
   0.63510079  0.19017481  0.50098491
   0.90154676  0.12086133  0.87590607
   0.63844511  0.47278738  0.63589221
   0.81991272  0.39514321  0.78326954
   0.61251874  0.68169694 -0.03042068
   0.92521180  0.57966391  0.34776668
   0.61364303  0.91096101  0.13629675
   0.87342003  0.87958110  0.25594697
   0.67721084  0.65679228  0.46423947
   0.90837125  0.65722594  0.89201764
   0.68344630  0.89198279  0.60005034
   0.88841240  0.88179483  0.74900315
   0.16756425  0.10505400  0.10142988
   0.39380990  0.18568928  0.29546817
   0.18991811  0.35363129  0.01224492
   0.39953698  0.45553737  0.34540100
   0.51221541  0.36296918  0.17661808
   0.24034907  0.37910847  0.20258537
   0.20580113  0.11470413  0.42267375
  -0.04396263  0.22023610  0.40310963
   0.00057001  0.03412822  0.53657815
   0.44575545  0.27115833  0.84548899
   0.07361409  0.28340900  0.57205434
   0.38767184  0.52862190  0.83145858
   0.51588061  0.38324764  0.68503687
   0.24365281  0.36777545  0.70738776
   0.24358906  0.11081803 -0.08116097
  -0.00024706  0.16218346  0.96631177
   0.23551353  0.60694308  0.06841190
   0.33068566  0.70487677  0.28430110
   0.13952531  0.86789141  0.06168562
   0.41188022  0.93470000  0.38104473
   0.47310225  0.92255997  0.19387182
   0.21422592  0.94241692  0.25355895
   0.31351202  0.65624362  0.45333051
   0.07333399  0.53919542  0.40175674
   0.30364388  0.36017712  0.51981214
   0.33673661  0.76941201  0.72620821
   0.07614175  0.78848733  0.48814315
   0.40164587  0.99054604  0.79074758
   0.53385251  0.88580616  0.63491486
   0.24636325  0.92535901  0.59769795
   0.28108289  0.75509384 -0.08282311
   0.02632324  0.70869613  0.95591849
   0.67773081  0.06441443  0.09637290
   0.84478961  0.22940186  0.23584793
   0.59471489  0.30077971 -0.00067637
   0.87204000  0.47662585  0.26929758
   0.01744000  0.50411370  0.13549640
   0.75681905  0.45098754  0.10278657
   0.67470692  0.21396050  0.38480280
   0.45881713  0.17253170  0.48537210
   0.73096547  0.05937200  0.52768435
   0.88683533  0.24090967  0.80357195
   0.66779113  0.32887556  0.55425517
   0.91968213  0.51122080  0.84402339
   1.14754689  0.55694338  0.58284625
   0.79830960  0.41528839  0.67159003
   0.75016794  0.10328624  0.91638822
   0.48306471  0.08662897  0.96262834
   0.54222475  0.54830355  0.02057966
   0.94699607  0.75040998  0.31374269
   0.58974707  0.81290579  0.04376841
   0.84433512  1.00131584  0.33403614
   0.96039416  0.95346506  0.16805798
   0.72668259  0.83855254  0.21184983
   0.81563804  0.56981864  0.43403846
   0.56682008  0.66554438  0.36784210
   0.59309758  0.57780488  0.54595404
   0.83202188  0.76233968  0.81491722
   0.69495268  0.82645536  0.48339378
   0.95871971  0.97991853  0.82355259
   0.98943070  0.83075710  0.66887300
   0.77643890  0.97919481  0.68782634
   0.77642059  0.63858155  0.97790967
   0.52933970  0.74068725  0.88017636
   0.76871761  0.75514401  0.61170474
   0.89341166  1.05494412  0.55261755
   0.96133928  0.27698341  0.10611254
   0.82406445  1.15972661  0.18613433
   0.39107065  0.09079162  0.65231425
   0.37608155  0.27930888  0.51429644
   0.49653969  1.32361745 -0.10144406
  -0.21169732  1.57387916  0.03282613
   0.68975439  0.39280099  0.84308968
   0.64098371  0.60024884  0.70058423
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817959    0.197290   -0.102987
    -0.000000    9.617974    0.001997
    -0.000000    0.000000   14.056044
   Si   O    H 
    32    64    10
Direct configuration=  3554
   0.15162309  0.19349882 -0.00144607
   0.36687151  0.09509473  0.39884967
   0.18159473  0.45935581  0.10631887
   0.38879795  0.34569921  0.25902700
   0.07169050  0.18174301  0.47927762
   0.38484274  0.10866134  0.86975111
   0.18875255  0.39161548  0.59751105
   0.39046549  0.40111285  0.75710886
   0.17913214  0.73350008  0.00304245
   0.40902755  0.61537040  0.37159422
   0.12673717  0.96620931  0.14893801
   0.35999364  0.86227158  0.27278061
   0.15339552  0.63440134  0.48137911
   0.37551368  0.70534051  0.82858095
   0.08846803  0.88553067  0.58804810
   0.38142263  0.93144526  0.68076189
   0.63156717  0.13393314  0.99758587
   0.82638997  0.16950969  0.34665670
   0.60052142  0.42021286  0.08403403
   0.90478959  0.39508820  0.16216574
   0.63576933  0.18939194  0.50064125
   0.90046248  0.12084216  0.87589812
   0.63785142  0.47343584  0.63478143
   0.82006697  0.39624832  0.78440833
   0.61105117  0.68148285 -0.03041983
   0.92665784  0.57921755  0.34848699
   0.61481323  0.91128133  0.13609490
   0.87305747  0.87991723  0.25657156
   0.67717191  0.65827463  0.46412655
   0.90801631  0.65735943  0.89166754
   0.68421987  0.89069249  0.60043610
   0.88737139  0.88157317  0.74948968
   0.16749206  0.10688598  0.10252124
   0.39445964  0.18384154  0.29617722
   0.18903321  0.35244798  0.01412967
   0.40032525  0.45559351  0.34650748
   0.51090460  0.36159851  0.17568498
   0.24010476  0.37770272  0.20226720
   0.20705637  0.11251000  0.42345591
  -0.04148452  0.21997445  0.40347383
  -0.00129350  0.03493343  0.53683767
   0.44430074  0.27277100  0.84536312
   0.07324289  0.28182118  0.57204430
   0.38654650  0.52846587  0.83074122
   0.51686544  0.38432128  0.68507351
   0.24228900  0.36777819  0.70836799
   0.24228871  0.11256290 -0.08108565
  -0.00146310  0.16274496  0.96507428
   0.23626220  0.60552547  0.06892890
   0.32921063  0.70537596  0.28349144
   0.14084266  0.86648444  0.06262711
   0.41128982  0.93543151  0.38079707
   0.47273518  0.92584877  0.19470954
   0.21405752  0.94338959  0.25414949
   0.31201000  0.65515257  0.45240492
   0.07155497  0.53953732  0.40123487
   0.30213299  0.36078467  0.51947724
   0.33684762  0.77082682  0.72639530
   0.07438314  0.78720641  0.48927211
   0.40026217  0.99258117  0.79024138
   0.53424365  0.88598892  0.63561450
   0.24652717  0.92313928  0.59752164
   0.28108308  0.75427133 -0.08202442
   0.02677088  0.70712595  0.95465835
   0.67883872  0.06333776  0.09574106
   0.84357129  0.22889281  0.23398034
   0.59475587  0.29904713 -0.00064824
   0.87091543  0.47701005  0.26811499
   0.01889811  0.50419647  0.13577007
   0.75679083  0.44815101  0.10263049
   0.67642419  0.21201111  0.38355427
   0.46117800  0.17489854  0.48605254
   0.73218102  0.05824212  0.52838299
   0.88616206  0.24049717  0.80511507
   0.66802292  0.32788638  0.55462377
   0.92047069  0.51025173  0.84270547
   1.14623539  0.55711821  0.58293917
   0.79846200  0.41645661  0.67205684
   0.74730730  0.10502132  0.91629813
   0.48412601  0.08699166  0.96359253
   0.54379335  0.54743367  0.02064564
   0.94700975  0.75092995  0.31370401
   0.58897653  0.81105684  0.04374388
   0.84360028  1.00225446  0.33300193
   0.95961425  0.95489536  0.16793533
   0.72539152  0.83743896  0.21254519
   0.81599791  0.56800447  0.43396069
   0.56844120  0.66511545  0.36801629
   0.59203564  0.57748961  0.54651562
   0.83059348  0.76192382  0.81580539
   0.69594880  0.82645853  0.48398122
   0.95765396  0.98109611  0.82359160
   0.98993176  0.83179182  0.66835406
   0.77617887  0.97898872  0.68948548
   0.77565919  0.63826084  0.97568307
   0.52858707  0.74089613  0.88071905
   0.76853911  0.75701367  0.61641227
   0.88282480  1.05150153  0.54974048
   0.95950382  0.28381492  0.10525308
   0.82256081  1.15622735  0.18954927
   0.38815701  0.08235191  0.64950119
   0.37758096  0.27590636  0.51725429
   0.49301176  1.31829658 -0.10022599
  -0.21124022  1.57062145  0.03196698
   0.68544765  0.39395277  0.83610807
   0.63012558  0.59740395  0.70327046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816718    0.198372   -0.100534
    -0.000000    9.619881    0.004072
    -0.000000    0.000000   14.053701
   Si   O    H 
    32    64    10
Direct configuration=  3555
   0.15244012  0.19369720 -0.00211995
   0.36716236  0.09440632  0.39863389
   0.18142989  0.45978855  0.10675199
   0.38810415  0.34519937  0.25835425
   0.07222661  0.18121399  0.47971871
   0.38530700  0.10842481  0.86944655
   0.18843935  0.39256677  0.59698229
   0.38997645  0.40046374  0.75720779
   0.17942175  0.73283547  0.00351424
   0.40908098  0.61529926  0.37119661
   0.12688694  0.96687963  0.14800846
   0.35972056  0.86304846  0.27359574
   0.15376199  0.63430954  0.48155030
   0.37510564  0.70562272  0.82765065
   0.08771779  0.88582300  0.58845784
   0.38193578  0.93247890  0.67975575
   0.63061200  0.13546453  0.99705389
   0.82598027  0.17076907  0.34608863
   0.60087364  0.42185110  0.08250433
   0.90463228  0.39447221  0.16302075
   0.63636088  0.18965027  0.50021173
   0.89925659  0.12084059  0.87638732
   0.63725559  0.47337614  0.63346050
   0.82035664  0.39767465  0.78568465
   0.60966576  0.68128044 -0.03022936
   0.92755130  0.57921109  0.34908297
   0.61516435  0.91160007  0.13620953
   0.87281907  0.87961556  0.25671175
   0.67685501  0.65997423  0.46375293
   0.90804357  0.65730020  0.89105167
   0.68555329  0.88963935  0.60060550
   0.88591639  0.88176003  0.74975212
   0.16811246  0.10915145  0.10308627
   0.39486361  0.18271720  0.29663560
   0.18845019  0.35168921  0.01577138
   0.40155997  0.45535285  0.34756422
   0.50964430  0.36082923  0.17524199
   0.23954466  0.37662086  0.20187338
   0.20773398  0.10994064  0.42443371
  -0.03987157  0.21914837  0.40332602
  -0.00311116  0.03648502  0.53731086
   0.44301601  0.27500480  0.84507748
   0.07282835  0.28021771  0.57197681
   0.38499808  0.52926396  0.83005370
   0.51639529  0.38557045  0.68520346
   0.24157495  0.36837075  0.70958691
   0.24124148  0.11450765 -0.08083406
  -0.00320300  0.16304567  0.96340576
   0.23667700  0.60340969  0.06985096
   0.32730730  0.70610491  0.28253791
   0.14239356  0.86461409  0.06371722
   0.41074508  0.93560305  0.38062580
   0.47192706  0.92808070  0.19529928
   0.21354687  0.94419664  0.25479170
   0.31007814  0.65476088  0.45220724
   0.07004318  0.54022692  0.40059033
   0.30123126  0.36067725  0.51922033
   0.33651091  0.77234813  0.72661285
   0.07388856  0.78581102  0.49014000
   0.39889588  0.99558006  0.79023442
   0.53480575  0.88656062  0.63581578
   0.24554445  0.92076234  0.59763069
   0.28197584  0.75379135 -0.08123505
   0.02708121  0.70589881  0.95377989
   0.67981688  0.06213309  0.09526487
   0.84269876  0.22929685  0.23231320
   0.59508844  0.29667188 -0.00054797
   0.86943666  0.47702753  0.26718510
   0.02188836  0.50421348  0.13591370
   0.75796872  0.44576784  0.10280595
   0.67730367  0.21104922  0.38273629
   0.46281246  0.17647334  0.48651645
   0.73425354  0.05736544  0.52916035
   0.88483141  0.24146705  0.80587840
   0.66849170  0.32781771  0.55457442
   0.92132985  0.50829412  0.84138590
   1.14525861  0.55686612  0.58363323
   0.80014243  0.41778935  0.67300433
   0.74453191  0.10660322  0.91689199
   0.48499079  0.08643356  0.96471073
   0.54519994  0.54688225  0.02044098
   0.94698122  0.75063714  0.31292561
   0.58841916  0.81000951  0.04374159
   0.84278899  1.00314517  0.33188639
   0.95960082  0.95632441  0.16784637
   0.72387898  0.83610731  0.21327753
   0.81620030  0.56678167  0.43344280
   0.56947880  0.66397114  0.36893422
   0.59207590  0.57761969  0.54620544
   0.83024832  0.76140948  0.81646817
   0.69601418  0.82655104  0.48459734
   0.95691681  0.98285127  0.82373178
   0.99093464  0.83306570  0.66813705
   0.77486100  0.97786248  0.69187117
   0.77489196  0.63811932  0.97320551
   0.52720214  0.74015382  0.88076934
   0.76711818  0.76102683  0.62372385
   0.88075139  1.04556211  0.54682003
   0.95907316  0.28607580  0.10244406
   0.82165764  1.15441586  0.18803666
   0.38569771  0.07272186  0.64515381
   0.37770323  0.27764347  0.51964495
   0.49519213  1.31243784 -0.09579602
  -0.21138290  1.56542383  0.03234711
   0.68315976  0.39852063  0.82722397
   0.62172040  0.59144941  0.70607095
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815706    0.199042   -0.097536
    -0.000000    9.622170    0.006216
    -0.000000    0.000000   14.051637
   Si   O    H 
    32    64    10
Direct configuration=  3556
   0.15268970  0.19321811 -0.00277632
   0.36767445  0.09370921  0.39859928
   0.18084524  0.45969899  0.10695044
   0.38758857  0.34493257  0.25753227
   0.07249233  0.18063838  0.48036004
   0.38570016  0.10845585  0.86897811
   0.18864155  0.39410590  0.59662267
   0.38974550  0.39940147  0.75677902
   0.17965384  0.73137319  0.00396274
   0.40932932  0.61596368  0.37090816
   0.12681776  0.96732915  0.14704523
   0.36019067  0.86437133  0.27454197
   0.15382108  0.63426205  0.48121064
   0.37463684  0.70579283  0.82702937
   0.08716413  0.88595163  0.58883081
   0.38280552  0.93316990  0.67871972
   0.63028771  0.13658878  0.99646017
   0.82523154  0.17177137  0.34572830
   0.60078777  0.42303473  0.08170634
   0.90450113  0.39393792  0.16423902
   0.63751380  0.18982055  0.49954886
   0.89831165  0.12077656  0.87692325
   0.63706300  0.47370765  0.63210398
   0.82070710  0.39864694  0.78656264
   0.60763385  0.68142515 -0.02989651
   0.92876558  0.57939126  0.34956677
   0.61590338  0.91151109  0.13597050
   0.87246138  0.87921519  0.25678525
   0.67676077  0.66160305  0.46306827
   0.90780170  0.65609631  0.89033049
   0.68624856  0.88823372  0.60099728
   0.88426660  0.88184207  0.75010644
   0.16995847  0.11171657  0.10248016
   0.39565638  0.18267473  0.29788684
   0.18892618  0.35172604  0.01676003
   0.40204233  0.45466877  0.34853082
   0.50936288  0.36091414  0.17501975
   0.23991584  0.37571100  0.20087183
   0.20720957  0.10796676  0.42610136
  -0.03885692  0.21891776  0.40309561
  -0.00503432  0.03784110  0.53743028
   0.44157255  0.27667247  0.84445382
   0.07216688  0.27857525  0.57196921
   0.38404631  0.52980126  0.82936273
   0.51543159  0.38643083  0.68565578
   0.24139706  0.36896285  0.71087440
   0.24098660  0.11646842 -0.08029433
  -0.00509738  0.16391220  0.96188966
   0.23617313  0.60225569  0.07094977
   0.32647033  0.70551879  0.28182384
   0.14496083  0.86213516  0.06464880
   0.40996603  0.93607640  0.38027573
   0.47118734  0.92964208  0.19578351
   0.21317002  0.94538000  0.25463878
   0.30882608  0.65483605  0.45240671
   0.06933634  0.54126189  0.39981033
   0.30097187  0.36085363  0.51905618
   0.33624885  0.77394831  0.72710682
   0.07354600  0.78476862  0.49134651
   0.39768669  0.99825576  0.79057468
   0.53415818  0.88770617  0.63619286
   0.24385267  0.91841645  0.59769203
   0.28280064  0.75349839 -0.08044823
   0.02807822  0.70466319  0.95334126
   0.68041237  0.06110290  0.09549131
   0.84181926  0.22957561  0.23084668
   0.59475562  0.29487194  0.00032515
   0.86879640  0.47645104  0.26660177
   0.02548371  0.50457992  0.13540337
   0.75915538  0.44373188  0.10344441
   0.67867429  0.21027710  0.38211389
   0.46433897  0.17763626  0.48704683
   0.73533840  0.05659575  0.53001389
   0.88412267  0.24276652  0.80622388
   0.66913312  0.32726568  0.55429081
   0.92160292  0.50653310  0.84064976
   1.14412981  0.55713832  0.58371832
   0.80237566  0.41941600  0.67404038
   0.74254796  0.10869660  0.91764450
   0.48518335  0.08601452  0.96583927
   0.54615366  0.54624973  0.01988301
   0.94651773  0.74954486  0.31201783
   0.58727497  0.80966740  0.04394422
   0.84198656  1.00435527  0.33060694
   0.95974833  0.95725202  0.16795669
   0.72238916  0.83425246  0.21436659
   0.81626940  0.56523013  0.43364825
   0.56978222  0.66351320  0.37019619
   0.59348805  0.57758976  0.54602732
   0.82987867  0.76007528  0.81702057
   0.69656162  0.82643869  0.48582984
   0.95682937  0.98502944  0.82364525
   0.99181544  0.83309264  0.66791487
   0.77348259  0.97617038  0.69383342
   0.77423053  0.63742694  0.97111255
   0.52527593  0.74033851  0.88035329
   0.76724719  0.76525335  0.62935123
   0.88095508  1.04115196  0.54585281
   0.95842715  0.28462445  0.09847756
   0.82266706  1.15182837  0.18534572
   0.38308683  0.06723738  0.64015731
   0.37380048  0.28923458  0.51932040
   0.50137148  1.30791072 -0.08810858
  -0.20975699  1.56259657  0.02846433
   0.67789417  0.40269134  0.81920421
   0.61898457  0.58558411  0.70788879
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814701    0.199583   -0.094767
    -0.000000    9.624487    0.008194
    -0.000000    0.000000   14.049167
   Si   O    H 
    32    64    10
Direct configuration=  3557
   0.15234946  0.19292912 -0.00240030
   0.36791760  0.09377191  0.39848677
   0.18003748  0.45950787  0.10686921
   0.38746859  0.34452529  0.25688638
   0.07235007  0.17927355  0.48072102
   0.38581781  0.10913274  0.86888947
   0.18848124  0.39561587  0.59640054
   0.38934413  0.39832542  0.75685723
   0.18028978  0.72946787  0.00475971
   0.40945443  0.61690128  0.37074671
   0.12611255  0.96811279  0.14651940
   0.36113803  0.86603079  0.27543013
   0.15315220  0.63430325  0.48090734
   0.37406786  0.70618786  0.82651906
   0.08745141  0.88602081  0.58905260
   0.38382076  0.93393195  0.67753765
   0.63079132  0.13761094  0.99580858
   0.82557134  0.17328713  0.34556490
   0.60015190  0.42306699  0.08133499
   0.90429217  0.39314454  0.16534000
   0.63888503  0.18959068  0.49846445
   0.89733526  0.12091253  0.87771473
   0.63753887  0.47368606  0.63049094
   0.82089726  0.39982013  0.78723018
   0.60548650  0.68282736 -0.02982939
   0.92968592  0.58002971  0.35013275
   0.61682836  0.91161831  0.13560999
   0.87264407  0.87860374  0.25678293
   0.67698816  0.66305744  0.46278148
   0.90708314  0.65524526  0.88957607
   0.68682328  0.88704476  0.60091515
   0.88214116  0.88240676  0.75054885
   0.17105399  0.11557548  0.10177702
   0.39567294  0.18290598  0.29908839
   0.18949503  0.35241022  0.01739005
   0.40246836  0.45340199  0.34940565
   0.50856562  0.36110039  0.17450149
   0.24100400  0.37421598  0.20000290
   0.20561184  0.10664547  0.42761304
  -0.03688484  0.21905698  0.40252384
  -0.00698811  0.03835614  0.53775820
   0.43977142  0.27837246  0.84420921
   0.07200794  0.27672146  0.57204595
   0.38349207  0.53073795  0.82923440
   0.51407368  0.38630696  0.68573504
   0.24171768  0.36926889  0.71185246
   0.24063518  0.11783086 -0.07972596
  -0.00577274  0.16378308  0.96126502
   0.23589243  0.60111130  0.07148000
   0.32601993  0.70518571  0.28158559
   0.14775077  0.85976221  0.06529365
   0.40938352  0.93721000  0.37924110
   0.46953182  0.93140591  0.19588210
   0.21223386  0.94685030  0.25396112
   0.30643322  0.65564630  0.45273201
   0.06895537  0.54222295  0.39973833
   0.30007944  0.36146209  0.51876901
   0.33656316  0.77540383  0.72715088
   0.07308900  0.78375333  0.49253526
   0.39630735  1.00117189  0.79124504
   0.53390691  0.88802453  0.63614451
   0.24208526  0.91627234  0.59806320
   0.28360365  0.75243644 -0.08028575
   0.02996741  0.70361652  0.95325340
   0.68016941  0.06009664  0.09595863
   0.84122679  0.23039487  0.22923063
   0.59419308  0.29392997  0.00087855
   0.86843259  0.47539627  0.26652528
   0.02939446  0.50525889  0.13466905
   0.76039994  0.44218044  0.10386997
   0.68003348  0.20939940  0.38185624
   0.46573057  0.17877571  0.48734816
   0.73591933  0.05593824  0.53088455
   0.88335460  0.24482749  0.80639145
   0.66908057  0.32781662  0.55426516
   0.92255958  0.50545820  0.84003055
   1.14245339  0.55722153  0.58396592
   0.80402811  0.42167790  0.67510619
   0.74103336  0.11030615  0.91868705
   0.48417369  0.08543595  0.96666917
   0.54643175  0.54585650  0.01907546
   0.94615409  0.74864581  0.31162783
   0.58660641  0.80943970  0.04395270
   0.84166736  1.00700416  0.32886779
   0.96080219  0.95760098  0.16812249
   0.72190644  0.83305951  0.21564118
   0.81627620  0.56392929  0.43351383
   0.56977795  0.66233427  0.37090299
   0.59487227  0.57810767  0.54556796
   0.82880529  0.75868762  0.81768648
   0.69725141  0.82589923  0.48730884
   0.95770601  0.98672895  0.82327757
   0.99269371  0.83255389  0.66779472
   0.77204129  0.97438980  0.69580150
   0.77397838  0.63651472  0.96963890
   0.52535127  0.74052465  0.87953374
   0.76671285  0.76835212  0.63570358
   0.88436274  1.03628745  0.54385519
   0.95624571  0.28412544  0.09711080
   0.82625245  1.15270253  0.18488341
   0.38136663  0.07070531  0.63504479
   0.37245736  0.29369750  0.51827227
   0.50383340  1.30054446 -0.08260807
  -0.20579449  1.55992534  0.02106111
   0.67310196  0.40541601  0.81442271
   0.62337381  0.58334033  0.70963794
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813543    0.200126   -0.091815
    -0.000000    9.627002    0.010175
    -0.000000    0.000000   14.046720
   Si   O    H 
    32    64    10
Direct configuration=  3558
   0.15178204  0.19309768 -0.00193451
   0.36836442  0.09414871  0.39875767
   0.17932993  0.45902794  0.10659967
   0.38729131  0.34481092  0.25645246
   0.07236148  0.17755118  0.48082047
   0.38601191  0.10953674  0.86894005
   0.18860896  0.39717426  0.59593899
   0.38954614  0.39740215  0.75717183
   0.18083107  0.72746028  0.00524053
   0.40933323  0.61789452  0.37065147
   0.12535293  0.96885684  0.14646834
   0.36222087  0.86887006  0.27620639
   0.15222149  0.63498434  0.48059981
   0.37365680  0.70631685  0.82652622
   0.08709143  0.88655235  0.58850923
   0.38434392  0.93480881  0.67646983
   0.63162269  0.13844521  0.99534160
   0.82615709  0.17490517  0.34536827
   0.59926881  0.42259271  0.08118581
   0.90455781  0.39232707  0.16657403
   0.64032998  0.18983857  0.49742518
   0.89621207  0.12047699  0.87847452
   0.63832628  0.47400149  0.62946338
   0.82089782  0.40043222  0.78844096
   0.60331347  0.68360486 -0.02975117
   0.93005669  0.58114483  0.35039333
   0.61713363  0.91180352  0.13553176
   0.87255071  0.87852499  0.25679899
   0.67739322  0.66390993  0.46248660
   0.90666229  0.65426620  0.88882573
   0.68727004  0.88541730  0.60132399
   0.88043005  0.88241259  0.75133328
   0.17163939  0.11960154  0.10054553
   0.39559037  0.18337382  0.30051906
   0.18995574  0.35410578  0.01760788
   0.40224837  0.45210083  0.34966870
   0.50849708  0.36144100  0.17368530
   0.24259551  0.37298150  0.19945029
   0.20367676  0.10546022  0.42902823
  -0.03634635  0.22026192  0.40123314
  -0.00887417  0.03843855  0.53778580
   0.43902212  0.27960456  0.84448032
   0.07134385  0.27540288  0.57224774
   0.38285621  0.53113037  0.82879725
   0.51295787  0.38583337  0.68601503
   0.24158407  0.36907483  0.71256193
   0.24004103  0.11911172 -0.07889293
  -0.00640482  0.16334249  0.96082725
   0.23636932  0.60085895  0.07245792
   0.32542994  0.70530700  0.28143620
   0.15092308  0.85672320  0.06574878
   0.40976082  0.93725772  0.37809106
   0.46730578  0.93237208  0.19522337
   0.21215220  0.94819334  0.25263730
   0.30463975  0.65667798  0.45271017
   0.06981126  0.54278019  0.39971583
   0.29867271  0.36205824  0.51869406
   0.33722198  0.77612790  0.72699080
   0.07226669  0.78338002  0.49303524
   0.39505289  1.00410388  0.79133462
   0.53284840  0.88866051  0.63583639
   0.24021898  0.91420551  0.59834426
   0.28400553  0.75137367 -0.08003745
   0.03105137  0.70228590  0.95283455
   0.67907717  0.05960835  0.09673141
   0.84092388  0.23119593  0.22805622
   0.59311960  0.29403693  0.00154180
   0.86817200  0.47469637  0.26687877
   0.03282445  0.50571876  0.13433020
   0.76082652  0.44075793  0.10408683
   0.68125282  0.20922260  0.38202574
   0.46625509  0.17943491  0.48730885
   0.73679751  0.05511337  0.53194783
   0.88326308  0.24710064  0.80722051
   0.66862284  0.32806440  0.55429759
   0.92366901  0.50430375  0.83911453
   1.14120876  0.55718527  0.58401884
   0.80471372  0.42395178  0.67617893
   0.73958232  0.11131658  0.91994404
   0.48232738  0.08445120  0.96719877
   0.54683707  0.54557220  0.01865629
   0.94557641  0.74849754  0.31077344
   0.58540359  0.80905580  0.04372585
   0.84131852  1.00885171  0.32669048
   0.96213376  0.95816532  0.16822077
   0.72108128  0.83211850  0.21665993
   0.81673006  0.56272270  0.43362484
   0.56971114  0.66195015  0.37154879
   0.59659398  0.57881236  0.54511800
   0.82776796  0.75762427  0.81766861
   0.69803269  0.82494684  0.48817432
   0.95863196  0.98776308  0.82309974
   0.99377662  0.83134235  0.66811767
   0.77048530  0.97335036  0.69788277
   0.77358864  0.63618557  0.96828839
   0.52525651  0.74018195  0.87934004
   0.76738121  0.76599003  0.64234624
   0.88604240  1.03733507  0.54429066
   0.95242080  0.28497895  0.09570170
   0.83395425  1.15298716  0.18093471
   0.38216518  0.07896578  0.62962952
   0.38006810  0.29233702  0.51715873
   0.50403999  1.29379499 -0.08133982
  -0.20090673  1.55942111  0.01450970
   0.66727031  0.40504352  0.81394581
   0.62969994  0.58383251  0.71039633
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812710    0.201122   -0.089045
    -0.000000    9.629729    0.011803
    -0.000000    0.000000   14.044209
   Si   O    H 
    32    64    10
Direct configuration=  3559
   0.15069530  0.19394930 -0.00103818
   0.36865432  0.09441941  0.39895998
   0.17865113  0.45847659  0.10639771
   0.38714930  0.34490730  0.25646977
   0.07184984  0.17611513  0.48111366
   0.38610098  0.11037998  0.86847104
   0.18917439  0.39820710  0.59552646
   0.38932664  0.39728620  0.75735600
   0.18177216  0.72477504  0.00568251
   0.40960201  0.61842583  0.37032927
   0.12443723  0.96978487  0.14655430
   0.36303506  0.87130170  0.27664015
   0.15083249  0.63556714  0.48040589
   0.37276144  0.70694606  0.82661596
   0.08664331  0.88710935  0.58768164
   0.38382050  0.93622600  0.67530154
   0.63229378  0.13869712  0.99553327
   0.82703920  0.17575586  0.34462607
   0.59870818  0.42161754  0.08128059
   0.90481830  0.39130652  0.16703419
   0.64157990  0.18958226  0.49614806
   0.89463147  0.11990242  0.87911438
   0.63941179  0.47439812  0.62890489
   0.82036501  0.40068957  0.78961422
   0.60158977  0.68425599 -0.02967560
   0.92992893  0.58258371  0.35032590
   0.61657631  0.91205088  0.13530660
   0.87199340  0.87884654  0.25655812
   0.67735526  0.66466498  0.46199973
   0.90739912  0.65277196  0.88776698
   0.68776794  0.88395513  0.60228028
   0.87879687  0.88268802  0.75208648
   0.17183695  0.12273566  0.09926594
   0.39510144  0.18356178  0.30193860
   0.19083690  0.35558370  0.01755781
   0.40255867  0.45109505  0.34977924
   0.50894903  0.36249193  0.17297850
   0.24383431  0.37186476  0.19830469
   0.20295707  0.10465680  0.43095225
  -0.03598149  0.22049155  0.39960760
  -0.00927860  0.03741799  0.53818761
   0.43852104  0.27935765  0.84454003
   0.07018662  0.27545746  0.57283778
   0.38181302  0.53143157  0.82736750
   0.51181162  0.38564987  0.68627860
   0.24150681  0.36864613  0.71334430
   0.23914993  0.11932935 -0.07906800
  -0.00628718  0.16387562  0.96066098
   0.23713539  0.60196944  0.07297110
   0.32527196  0.70551872  0.28163269
   0.15358800  0.85431890  0.06604079
   0.41012747  0.93704024  0.37698748
   0.46545743  0.93283568  0.19460638
   0.21258089  0.94877103  0.25141968
   0.30339451  0.65763298  0.45273669
   0.07084040  0.54330062  0.39990896
   0.29797157  0.36249336  0.51850057
   0.33815778  0.77646885  0.72691952
   0.07151395  0.78364868  0.49441904
   0.39346644  1.00647958  0.79107925
   0.53181147  0.88931752  0.63578931
   0.23852242  0.91282008  0.59854820
   0.28439099  0.75042655 -0.07999309
   0.03165706  0.70021067  0.95274655
   0.67854531  0.05886843  0.09755462
   0.84146440  0.23173055  0.22716583
   0.59272106  0.29441507  0.00190689
   0.86815422  0.47437649  0.26753041
   0.03451471  0.50630383  0.13447833
   0.76122091  0.44029657  0.10410215
   0.68278352  0.20907083  0.38196339
   0.46710205  0.17881520  0.48706276
   0.73748605  0.05342219  0.53242810
   0.88313977  0.24966865  0.80817522
   0.66782602  0.32803776  0.55386282
   0.92426981  0.50312344  0.83847252
   1.13981478  0.55693617  0.58369342
   0.80527127  0.42663888  0.67745898
   0.73860986  0.11189775  0.92126151
   0.48067984  0.08402284  0.96761810
   0.54634546  0.54543200  0.01861430
   0.94560344  0.74801143  0.31045811
   0.58480588  0.80882732  0.04389533
   0.84110789  1.01041008  0.32450283
   0.96340137  0.95834263  0.16833294
   0.71994978  0.83065870  0.21776277
   0.81651294  0.56247522  0.43407558
   0.56995061  0.66124035  0.37216048
   0.59810120  0.58018632  0.54459643
   0.82636914  0.75681763  0.81818032
   0.69807892  0.82417331  0.48939302
   0.95993157  0.98794280  0.82260282
   0.99407189  0.83093458  0.66897590
   0.76902906  0.97348807  0.69929425
   0.77320249  0.63619926  0.96743821
   0.52608855  0.73974089  0.87890939
   0.76382060  0.75850277  0.64597726
   0.88647554  1.04296575  0.54521303
   0.95030435  0.28744496  0.09729978
   0.84102464  1.14972203  0.17783560
   0.38471435  0.08351606  0.62926890
   0.38401290  0.28859350  0.51670149
   0.50673162  1.29034069 -0.08425429
  -0.19811549  1.55611150  0.01038171
   0.66687094  0.40546521  0.81559475
   0.63410758  0.58516344  0.70995419
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812125    0.201635   -0.086769
    -0.000000    9.632678    0.013616
    -0.000000    0.000000   14.041733
   Si   O    H 
    32    64    10
Direct configuration=  3560
   0.14861174  0.19454818 -0.00025987
   0.36911116  0.09469194  0.39897242
   0.17773650  0.45817393  0.10638582
   0.38687785  0.34527938  0.25653432
   0.07123529  0.17512969  0.48154235
   0.38627372  0.11203887  0.86844423
   0.18965104  0.39920055  0.59570229
   0.38902048  0.39703349  0.75737396
   0.18225810  0.72248659  0.00577723
   0.40978645  0.61884170  0.37013078
   0.12352319  0.97072484  0.14616758
   0.36348732  0.87355617  0.27674193
   0.14936801  0.63607592  0.48057015
   0.37167103  0.70705709  0.82702559
   0.08546382  0.88764546  0.58695136
   0.38345120  0.93754846  0.67458274
   0.63284430  0.13776692  0.99622074
   0.82835897  0.17607976  0.34359886
   0.59853039  0.42049581  0.08180771
   0.90506800  0.39084878  0.16782025
   0.64230088  0.18953198  0.49546236
   0.89270685  0.11949344  0.87931226
   0.64005976  0.47486121  0.62886115
   0.82010815  0.40173672  0.79074971
   0.59989746  0.68495479 -0.02974865
   0.92924052  0.58417197  0.35000552
   0.61525020  0.91187903  0.13522891
   0.87182184  0.87911092  0.25618270
   0.67730934  0.66505558  0.46150773
   0.90756478  0.65157254  0.88700892
   0.68831017  0.88334127  0.60334811
   0.87790938  0.88241312  0.75241540
   0.17285603  0.12538897  0.09881444
   0.39424997  0.18532558  0.30356192
   0.19203813  0.35529498  0.01653790
   0.40360885  0.45027325  0.34981325
   0.50885179  0.36312131  0.17181214
   0.24494755  0.37067367  0.19745866
   0.20269810  0.10376812  0.43209549
  -0.03633006  0.22028294  0.39855033
  -0.00864290  0.03637037  0.53892527
   0.43766405  0.27899327  0.84507466
   0.06939493  0.27569600  0.57393106
   0.37964553  0.53233104  0.82582934
   0.51105967  0.38446978  0.68598635
   0.24168106  0.36886084  0.71409553
   0.23830552  0.11933119 -0.08002462
  -0.00618800  0.16357816  0.96109195
   0.23805728  0.60410159  0.07324201
   0.32593247  0.70569288  0.28189050
   0.15630665  0.85267759  0.06621235
   0.41068807  0.93640535  0.37544504
   0.46402607  0.93337330  0.19359481
   0.21282750  0.94992210  0.25044124
   0.30187297  0.65875788  0.45309293
   0.07205347  0.54288854  0.39994305
   0.29753882  0.36228691  0.51881753
   0.33894017  0.77697908  0.72617958
   0.06961888  0.78342869  0.49563720
   0.39157525  1.00816586  0.79023812
   0.53081499  0.89014232  0.63599264
   0.23805892  0.91131200  0.59906330
   0.28434917  0.75009664 -0.08014001
   0.03261530  0.69797178  0.95253547
   0.67796379  0.05824824  0.09807407
   0.84202298  0.23138867  0.22643402
   0.59241337  0.29525351  0.00221399
   0.86844497  0.47390900  0.26837271
   0.03464561  0.50649599  0.13521071
   0.76070245  0.44024716  0.10457504
   0.68367314  0.20951637  0.38243347
   0.46781714  0.17832486  0.48683732
   0.73805940  0.05202976  0.53217058
   0.88275170  0.25224222  0.80899034
   0.66760500  0.32807988  0.55332619
   0.92428718  0.50155827  0.83779717
   1.13804501  0.55651984  0.58323016
   0.80563756  0.42882315  0.67845362
   0.73867387  0.11260874  0.92239501
   0.47970562  0.08324726  0.96728577
   0.54565874  0.54592015  0.01836411
   0.94489298  0.74777025  0.30994889
   0.58465303  0.80889456  0.04417898
   0.83984850  1.01212095  0.32264272
   0.96325047  0.95740129  0.16875559
   0.71875592  0.82954489  0.21825398
   0.81617522  0.56301259  0.43489704
   0.57010558  0.66105902  0.37204576
   0.59929310  0.58165292  0.54426959
   0.82448765  0.75680168  0.81897722
   0.69811434  0.82421203  0.49058263
   0.96139676  0.98832662  0.82262213
   0.99442297  0.83009759  0.67010991
   0.76771969  0.97363099  0.70085790
   0.77365652  0.63617173  0.96682059
   0.52747200  0.73941762  0.87839903
   0.76280714  0.75316687  0.64568508
   0.88643467  1.04698095  0.54716733
   0.95039756  0.28892310  0.09756111
   0.84786939  1.15167612  0.17799788
   0.38819335  0.08513260  0.63292340
   0.38425970  0.28347511  0.51649302
   0.50465890  1.29237786 -0.08963740
  -0.19797995  1.54836430  0.00732390
   0.67451966  0.40555636  0.81832361
   0.63661820  0.58810426  0.70971888
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811683    0.202425   -0.085113
    -0.000000    9.635648    0.015017
    -0.000000    0.000000   14.039708
   Si   O    H 
    32    64    10
Direct configuration=  3561
   0.14706253  0.19516728  0.00015411
   0.36937942  0.09578827  0.39943034
   0.17666627  0.45718857  0.10641903
   0.38703124  0.34562012  0.25610052
   0.07114647  0.17399563  0.48217807
   0.38661575  0.11373921  0.86914521
   0.18963819  0.39956590  0.59634368
   0.38893867  0.39646362  0.75773827
   0.18336751  0.72037561  0.00525454
   0.41000273  0.61925909  0.36989146
   0.12323741  0.97191647  0.14609776
   0.36380227  0.87607805  0.27644126
   0.14790584  0.63638531  0.48104484
   0.37144628  0.70721292  0.82765455
   0.08353169  0.88815852  0.58633060
   0.38328228  0.93840717  0.67376990
   0.63253250  0.13660533  0.99732658
   0.82967746  0.17615541  0.34260922
   0.59819883  0.41888412  0.08255309
   0.90599736  0.39073319  0.16879563
   0.64307817  0.18945471  0.49502296
   0.89119802  0.11888380  0.87950182
   0.64096469  0.47488778  0.62936148
   0.81974329  0.40232229  0.79146151
   0.59856527  0.68523933 -0.02964357
   0.92862984  0.58541687  0.34925701
   0.61347604  0.91135165  0.13585895
   0.87131797  0.87921509  0.25575216
   0.67715084  0.66512054  0.46097575
   0.90809343  0.65083459  0.88600049
   0.68875860  0.88328790  0.60437065
   0.87760098  0.88190359  0.75221007
   0.17350036  0.12679739  0.09911294
   0.39448817  0.18685674  0.30490712
   0.19259337  0.35427539  0.01552818
   0.40480743  0.44974726  0.34957180
   0.50851091  0.36399226  0.16993037
   0.24550706  0.36989016  0.19717870
   0.20374088  0.10304438  0.43379356
  -0.03634412  0.22038011  0.39799984
  -0.00768980  0.03539507  0.53965746
   0.43718175  0.27826854  0.84570009
   0.06860524  0.27640650  0.57451322
   0.37764582  0.53302839  0.82451346
   0.51039212  0.38356032  0.68517754
   0.24162604  0.36862692  0.71482190
   0.23825447  0.11914861 -0.08130154
  -0.00553762  0.16259498  0.96167094
   0.23975984  0.60675520  0.07380165
   0.32735464  0.70554338  0.28237471
   0.15887409  0.85222951  0.06652421
   0.41151420  0.93512263  0.37441246
   0.46197528  0.93373910  0.19255226
   0.21285155  0.95099532  0.24925663
   0.30058654  0.65979547  0.45355568
   0.07240545  0.54212383  0.39990446
   0.29846575  0.36182876  0.51866549
   0.33978037  0.77727006  0.72611441
   0.06768458  0.78318763  0.49730376
   0.38960075  1.01002496  0.78907960
   0.53030656  0.89043965  0.63609172
   0.23744362  0.91026193  0.59905907
   0.28423402  0.74961207 -0.08033959
   0.03268055  0.69582855  0.95287627
   0.67624362  0.05752081  0.09837798
   0.84205941  0.23012691  0.22598743
   0.59161022  0.29576139  0.00221457
   0.86921861  0.47424468  0.26980761
   0.03285573  0.50672942  0.13643213
   0.76022462  0.44007464  0.10497408
   0.68381441  0.20954782  0.38306483
   0.46890140  0.17730735  0.48653767
   0.73776830  0.05180350  0.53170654
   0.88236674  0.25417969  0.80970028
   0.66826426  0.32799639  0.55269001
   0.92507047  0.50083534  0.83721650
   1.13603711  0.55694947  0.58235463
   0.80593139  0.43033265  0.67892460
   0.74036762  0.11237982  0.92274140
   0.47904086  0.08288743  0.96641736
   0.54468764  0.54598556  0.01780238
   0.94447773  0.74740423  0.30918889
   0.58570411  0.80944630  0.04464826
   0.83804279  1.01338140  0.32068333
   0.96249347  0.95630507  0.16882950
   0.71708714  0.82806420  0.21862947
   0.81567472  0.56421312  0.43526196
   0.57059118  0.66160483  0.37220419
   0.59971969  0.58350339  0.54401166
   0.82326927  0.75702225  0.81988457
   0.69838522  0.82414688  0.49189237
   0.96304941  0.98857056  0.82352988
   0.99415705  0.82871269  0.67138511
   0.76650287  0.97444264  0.70220970
   0.77458836  0.63487994  0.96593452
   0.52865330  0.73915722  0.87747023
   0.76149642  0.74838151  0.64276137
   0.88103077  1.04828840  0.54754004
   0.95321807  0.28945150  0.09584079
   0.85455909  1.16184873  0.18255361
   0.38794796  0.08408294  0.63851513
   0.38045167  0.28266492  0.51527199
   0.50108255  1.30020116 -0.09764135
  -0.19763685  1.54570207  0.00652443
   0.67963290  0.40520327  0.82118932
   0.63822437  0.58971752  0.70889697
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811350    0.202723   -0.084114
    -0.000000    9.638557    0.016488
    -0.000000    0.000000   14.038058
   Si   O    H 
    32    64    10
Direct configuration=  3562
   0.14521845  0.19570745 -0.00016728
   0.36921686  0.09658959  0.40007383
   0.17598988  0.45662579  0.10660695
   0.38751259  0.34643416  0.25589491
   0.07083209  0.17275505  0.48277456
   0.38683778  0.11516115  0.87026607
   0.19003015  0.39938230  0.59696124
   0.38919255  0.39637741  0.75805387
   0.18469810  0.71875317  0.00474479
   0.40966040  0.61991973  0.36978344
   0.12354956  0.97225899  0.14594686
   0.36391801  0.87815397  0.27614892
   0.14677534  0.63695936  0.48122787
   0.37134039  0.70717483  0.82756914
   0.08216639  0.88846766  0.58590893
   0.38292509  0.93916101  0.67294388
   0.63228685  0.13559202  0.99813262
   0.83054924  0.17559668  0.34178241
   0.59784569  0.41749086  0.08320178
   0.90700962  0.39162454  0.16942856
   0.64322792  0.18902702  0.49441834
   0.89011441  0.11857999  0.87941262
   0.64179142  0.47476280  0.63024862
   0.81908823  0.40303808  0.79154540
   0.59696736  0.68553783 -0.02947298
   0.92756423  0.58592183  0.34865906
   0.61169666  0.91016244  0.13685413
   0.87013292  0.87911279  0.25528748
   0.67692604  0.66500078  0.45989729
   0.90866768  0.64992919  0.88496754
   0.68931323  0.88289660  0.60562979
   0.87785382  0.88134400  0.75196432
   0.17356538  0.12731800  0.10004842
   0.39398220  0.18821222  0.30539717
   0.19269667  0.35381842  0.01412682
   0.40596939  0.44860170  0.34829709
   0.50885726  0.36538204  0.16833369
   0.24638527  0.36918063  0.19753306
   0.20467083  0.10258741  0.43503314
  -0.03651023  0.22113543  0.39740638
  -0.00698195  0.03552400  0.53987320
   0.43719834  0.27774049  0.84590106
   0.06850350  0.27810912  0.57442380
   0.37518959  0.53367058  0.82298980
   0.51013700  0.38300933  0.68450904
   0.24097578  0.36827259  0.71512244
   0.23836909  0.11888832 -0.08277724
  -0.00491043  0.16172718  0.96218128
   0.24162078  0.60823500  0.07440336
   0.32905215  0.70531348  0.28257173
   0.16051120  0.85279904  0.06741741
   0.41229044  0.93434898  0.37397574
   0.46065750  0.93288043  0.19154672
   0.21263479  0.95097804  0.24761250
   0.30020274  0.66060015  0.45401400
   0.07269087  0.54228429  0.39987466
   0.29983415  0.36079824  0.51870126
   0.33961615  0.77771718  0.72565738
   0.06593300  0.78273201  0.49858341
   0.38787004  1.01176876  0.78810795
   0.53006707  0.89037417  0.63529684
   0.23700010  0.91012263  0.59891519
   0.28424375  0.74941306 -0.08117698
   0.03220900  0.69439226  0.95353023
   0.67520534  0.05702023  0.09931541
   0.84195948  0.22991615  0.22624144
   0.59068111  0.29621122  0.00222536
   0.87039935  0.47507043  0.27140538
   0.03068225  0.50621915  0.13756517
   0.75906235  0.43999734  0.10552075
   0.68369065  0.20993562  0.38309744
   0.46979250  0.17558274  0.48590956
   0.73755914  0.05205760  0.53082789
   0.88194901  0.25532035  0.81049975
   0.66931828  0.32778198  0.55203749
   0.92603913  0.50093102  0.83680452
   1.13380956  0.55716469  0.58169097
   0.80592475  0.43184680  0.67948104
   0.74289832  0.11133335  0.92290620
   0.47914393  0.08152455  0.96565943
   0.54387046  0.54666643  0.01678081
   0.94336689  0.74627735  0.30890632
   0.58772033  0.81057915  0.04489723
   0.83604020  1.01518558  0.31939347
   0.96156402  0.95567179  0.16921706
   0.71525997  0.82705622  0.21870009
   0.81507554  0.56557688  0.43551955
   0.57070193  0.66234462  0.37190501
   0.60021128  0.58457189  0.54410782
   0.82220798  0.75749213  0.82037139
   0.69849527  0.82327711  0.49267611
   0.96443242  0.98834049  0.82486235
   0.99272979  0.82711646  0.67279806
   0.76499349  0.97503832  0.70297455
   0.77532696  0.63320243  0.96577844
   0.52984351  0.73820390  0.87652169
   0.76170910  0.75112800  0.63994803
   0.87431341  1.04730560  0.55016930
   0.95443637  0.28621786  0.09732596
   0.86108414  1.15667380  0.18073243
   0.38475621  0.08399583  0.64437150
   0.36987904  0.28833412  0.51524589
   0.49797020  1.30876559 -0.10491241
  -0.20243641  1.54727442  0.00773012
   0.68198112  0.40559945  0.82830960
   0.63769096  0.58922103  0.70856550
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811337    0.203529   -0.083084
    -0.000000    9.641416    0.017875
    -0.000000    0.000000   14.036646
   Si   O    H 
    32    64    10
Direct configuration=  3563
   0.14372694  0.19559600 -0.00112298
   0.36940144  0.09831687  0.40071927
   0.17565994  0.45656114  0.10657508
   0.38782215  0.34682296  0.25532029
   0.07050015  0.17088688  0.48301675
   0.38717924  0.11580412  0.87180245
   0.19023649  0.39793185  0.59754046
   0.38922142  0.39653821  0.75830639
   0.18585985  0.71785172  0.00355915
   0.40935350  0.62062445  0.36966406
   0.12389787  0.97252599  0.14615409
   0.36378201  0.87886955  0.27548026
   0.14537022  0.63796730  0.48121033
   0.37136470  0.70665710  0.82750333
   0.08076575  0.88884448  0.58588790
   0.38274826  0.94018775  0.67240859
   0.63158206  0.13532153  0.99912926
   0.83114912  0.17538397  0.34109747
   0.59773120  0.41560827  0.08366730
   0.90784721  0.39275384  0.17043002
   0.64305837  0.18898053  0.49374060
   0.88899059  0.11851090  0.87910822
   0.64221196  0.47467656  0.63106269
   0.81792346  0.40362415  0.79163422
   0.59552709  0.68560267 -0.02932321
   0.92711539  0.58588469  0.34844365
   0.60992264  0.90861049  0.13784187
   0.86883362  0.87950684  0.25469141
   0.67705902  0.66462724  0.45876910
   0.90937906  0.64914743  0.88378890
   0.69028606  0.88299431  0.60668972
   0.87823109  0.88052004  0.75159363
   0.17354553  0.12730314  0.10107842
   0.39351939  0.19011253  0.30621199
   0.19284427  0.35421431  0.01269853
   0.40684061  0.44689596  0.34710805
   0.50859397  0.36668062  0.16755199
   0.24659725  0.36898646  0.19723049
   0.20602932  0.10161424  0.43540289
  -0.03602776  0.22148294  0.39757926
  -0.00644244  0.03554505  0.54022844
   0.43672406  0.27718305  0.84583698
   0.06887326  0.28056626  0.57404824
   0.37335825  0.53384558  0.82118332
   0.51031713  0.38323720  0.68374801
   0.24036933  0.36809873  0.71507206
   0.23855376  0.11920995 -0.08397105
  -0.00413056  0.16116753  0.96302859
   0.24423061  0.60893493  0.07529852
   0.33050524  0.70583523  0.28299669
   0.16206374  0.85441265  0.06824781
   0.41447488  0.93467009  0.37417707
   0.45933477  0.93166999  0.19012078
   0.21224755  0.95073540  0.24625276
   0.30043394  0.66073970  0.45422471
   0.07406686  0.54290470  0.39994492
   0.30154048  0.35990442  0.51897895
   0.33918964  0.77865035  0.72528833
   0.06449140  0.78228874  0.49943469
   0.38654386  1.01322088  0.78730421
   0.53115457  0.89056366  0.63495272
   0.23631978  0.91056842  0.59903505
   0.28379800  0.74928439 -0.08253252
   0.03216939  0.69252754  0.95435768
   0.67491886  0.05619141  0.10040950
   0.84180931  0.23024904  0.22611599
   0.58994971  0.29638926  0.00209357
   0.87228084  0.47658097  0.27220698
   0.02759195  0.50656817  0.13856645
   0.75859410  0.44073686  0.10627260
   0.68318738  0.21133501  0.38322533
   0.47114494  0.17409525  0.48456406
   0.73627433  0.05194975  0.53001547
   0.88140709  0.25570325  0.81106582
   0.67046919  0.32859580  0.55141525
   0.92758882  0.50090901  0.83706053
   1.13151228  0.55678040  0.58135288
   0.80490059  0.43353565  0.67965462
   0.74592029  0.11044922  0.92287994
   0.47893332  0.07930240  0.96490178
   0.54261660  0.54692856  0.01615921
   0.94269366  0.74575244  0.30909475
   0.58859799  0.81183303  0.04535785
   0.83438954  1.01677807  0.31841847
   0.96041917  0.95465491  0.17002256
   0.71464416  0.82607752  0.21893446
   0.81395168  0.56748105  0.43588583
   0.57001551  0.66215330  0.37148644
   0.60052585  0.58546087  0.54403856
   0.82158666  0.75853549  0.82126300
   0.69770011  0.82283460  0.49320362
   0.96563277  0.98748546  0.82574572
   0.99064998  0.82680608  0.67414462
   0.76422029  0.97557848  0.70382280
   0.77655490  0.63191180  0.96614095
   0.52987630  0.73773885  0.87571815
   0.76529930  0.75494856  0.63575306
   0.86741550  1.04640177  0.55177005
   0.95524562  0.28483935  0.10065430
   0.86700971  1.14833484  0.17874483
   0.37713353  0.08629194  0.64718985
   0.36221492  0.29151875  0.51407074
   0.50397114  1.31632534 -0.10607123
  -0.20563503  1.55030272  0.00873125
   0.68458215  0.41029642  0.83649078
   0.63358904  0.59033155  0.70901569
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811278    0.204086   -0.081793
    -0.000000    9.644152    0.019720
    -0.000000    0.000000   14.034812
   Si   O    H 
    32    64    10
Direct configuration=  3564
   0.14306036  0.19573450 -0.00225315
   0.36941980  0.09980994  0.40107157
   0.17635305  0.45580335  0.10641294
   0.38870302  0.34698139  0.25443264
   0.07023192  0.16903178  0.48305628
   0.38763646  0.11594455  0.87326385
   0.19029447  0.39615429  0.59766041
   0.38931459  0.39686920  0.75838186
   0.18675426  0.71712774  0.00251724
   0.40838328  0.62095010  0.36977562
   0.12455596  0.97256425  0.14628740
   0.36354143  0.87904958  0.27454485
   0.14397182  0.63860536  0.48099763
   0.37188137  0.70654871  0.82718620
   0.07922987  0.88921039  0.58536998
   0.38235653  0.94140260  0.67177194
   0.63003410  0.13454704  1.00033324
   0.83221312  0.17527974  0.33995728
   0.59756497  0.41383542  0.08402925
   0.90832679  0.39375388  0.17143476
   0.64222777  0.18932402  0.49309883
   0.88851139  0.11914745  0.87854795
   0.64221233  0.47474151  0.63197935
   0.81626350  0.40390163  0.79185278
   0.59483320  0.68571280 -0.02888567
   0.92658960  0.58540662  0.34795795
   0.60808692  0.90718869  0.13885441
   0.86793922  0.88014461  0.25432557
   0.67693310  0.66457813  0.45808227
   0.90941615  0.64862844  0.88278403
   0.69147349  0.88330013  0.60748258
   0.87929620  0.88027063  0.75110588
   0.17325996  0.12722152  0.10272727
   0.39346855  0.19164260  0.30698836
   0.19320628  0.35497423  0.01196104
   0.40748233  0.44486176  0.34636976
   0.50854579  0.36816824  0.16725048
   0.24688804  0.36888900  0.19700951
   0.20739064  0.10067197  0.43562525
  -0.03577887  0.22216730  0.39794355
  -0.00658191  0.03560959  0.54059860
   0.43627755  0.27725262  0.84542070
   0.06940713  0.28330698  0.57358230
   0.37160177  0.53499057  0.81979285
   0.51028982  0.38342591  0.68312476
   0.23970842  0.36874189  0.71484679
   0.23809566  0.12074084 -0.08457149
  -0.00405882  0.16150938  0.96341094
   0.24648619  0.60905442  0.07632928
   0.33099738  0.70742189  0.28314285
   0.16383865  0.85677581  0.06933986
   0.41777804  0.93562432  0.37423742
   0.45938934  0.93055521  0.18872999
   0.21184046  0.95068323  0.24460501
   0.30070336  0.66107338  0.45451793
   0.07493255  0.54330967  0.40067974
   0.30232205  0.35965499  0.51863853
   0.33962809  0.77888673  0.72535549
   0.06295429  0.78119961  0.49934585
   0.38554894  1.01459238  0.78610576
   0.53274776  0.89109354  0.63440998
   0.23671213  0.91118306  0.59943716
   0.28297331  0.74881590 -0.08296787
   0.03188448  0.69131073  0.95534256
   0.67440985  0.05564822  0.10201076
   0.84159195  0.23044473  0.22617537
   0.58956607  0.29702406  0.00251199
   0.87382190  0.47754096  0.27291247
   0.02402207  0.50613807  0.13872979
   0.75821842  0.44216386  0.10721514
   0.68341340  0.21239448  0.38282675
   0.47239021  0.17174388  0.48342510
   0.73520626  0.05229700  0.52962278
   0.88046924  0.25560595  0.81147115
   0.67111141  0.32883959  0.55094855
   0.92805679  0.50107833  0.83742179
   1.13045732  0.55588144  0.58149475
   0.80397268  0.43527076  0.67989488
   0.74807028  0.10947670  0.92361532
   0.48020411  0.07681724  0.96389698
   0.54055633  0.54638189  0.01577411
   0.94202502  0.74581862  0.30916721
   0.58909398  0.81254890  0.04509066
   0.83314988  1.01730277  0.31718482
   0.95931514  0.95299747  0.17058850
   0.71364484  0.82473258  0.21893463
   0.81370440  0.56982474  0.43578568
   0.56877421  0.66180168  0.37140978
   0.60133165  0.58624725  0.54414786
   0.82135407  0.76027249  0.82163200
   0.69629988  0.82248411  0.49335421
   0.96658212  0.98620779  0.82655212
   0.98817316  0.82658690  0.67542422
   0.76366566  0.97582386  0.70429494
   0.77728379  0.63056823  0.96630174
   0.52979403  0.73740233  0.87469169
   0.76757227  0.75798830  0.63223394
   0.85692003  1.04596598  0.55311355
   0.95705138  0.28595442  0.10238470
   0.87232090  1.14654542  0.18260879
   0.37191850  0.08981421  0.64716599
   0.37311668  0.27676024  0.50946270
   0.51011016  1.32079919 -0.10479341
  -0.20402402  1.55372712  0.01116506
   0.68930671  0.41704329  0.84414947
   0.63107978  0.59002982  0.70637238
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811081    0.205341   -0.080480
    -0.000000    9.646600    0.021544
    -0.000000    0.000000   14.033167
   Si   O    H 
    32    64    10
Direct configuration=  3565
   0.14301610  0.19535503 -0.00308635
   0.36974881  0.10088478  0.40133840
   0.17727663  0.45478057  0.10601191
   0.38957199  0.34725643  0.25389472
   0.06995724  0.16741132  0.48318897
   0.38766946  0.11658620  0.87461494
   0.19045476  0.39456745  0.59776786
   0.38949659  0.39734496  0.75852414
   0.18766979  0.71658924  0.00184993
   0.40742123  0.62136892  0.37002050
   0.12496236  0.97230137  0.14648946
   0.36275904  0.87942920  0.27352248
   0.14220599  0.63922901  0.48071992
   0.37189878  0.70632453  0.82698702
   0.07806740  0.88972079  0.58458420
   0.38239924  0.94198642  0.67108675
   0.62808682  0.13308137  1.00207030
   0.83291691  0.17545030  0.33874784
   0.59663159  0.41292086  0.08397050
   0.90870173  0.39464594  0.17230757
   0.64133353  0.19019537  0.49287899
   0.88888128  0.11912362  0.87822634
   0.64257763  0.47432445  0.63316101
   0.81418995  0.40406341  0.79154011
   0.59414730  0.68550619 -0.02886300
   0.92590142  0.58465468  0.34745925
   0.60668289  0.90551872  0.14007370
   0.86661633  0.88001001  0.25355950
   0.67662507  0.66385705  0.45795644
   0.90947523  0.64853689  0.88202799
   0.69261540  0.88365302  0.60788204
   0.88020295  0.88004525  0.75087844
   0.17251788  0.12670262  0.10486320
   0.39380148  0.19340566  0.30755204
   0.19341285  0.35562357  0.01105489
   0.40804220  0.44388053  0.34592940
   0.50770684  0.36985200  0.16806269
   0.24658330  0.36955731  0.19640046
   0.20819605  0.10025887  0.43536977
  -0.03478274  0.22254632  0.39854662
  -0.00668753  0.03626566  0.54091675
   0.43580841  0.27752469  0.84491348
   0.07045096  0.28588190  0.57297419
   0.37022623  0.53619463  0.81840621
   0.50998978  0.38365918  0.68323680
   0.23935140  0.36903386  0.71401673
   0.23724625  0.12202518 -0.08502982
  -0.00470243  0.16131579  0.96359054
   0.24938358  0.60781190  0.07685505
   0.33062009  0.70947377  0.28275853
   0.16505136  0.85829765  0.07004958
   0.42042861  0.93703121  0.37523717
   0.45987022  0.93008318  0.18668883
   0.21198365  0.95135120  0.24383916
   0.30134500  0.66088509  0.45476975
   0.07575173  0.54363509  0.40095689
   0.30276664  0.35928380  0.51864504
   0.33893149  0.77946689  0.72578793
   0.06113504  0.78007302  0.49939732
   0.38507182  1.01610026  0.78484115
   0.53442462  0.89102271  0.63314777
   0.23719537  0.91168694  0.59925021
   0.28283134  0.74866062 -0.08274102
   0.03144308  0.68989827  0.95674148
   0.67384077  0.05479303  0.10352805
   0.84156638  0.22995414  0.22570618
   0.58913997  0.29681750  0.00340194
   0.87491545  0.47789663  0.27385521
   0.02160639  0.50542486  0.13894525
   0.75856219  0.44375495  0.10817854
   0.68398634  0.21368897  0.38241335
   0.47392908  0.16901126  0.48280233
   0.73475455  0.05263472  0.52979115
   0.87917035  0.25517107  0.81206863
   0.67130178  0.32874204  0.55030760
   0.92944706  0.50176364  0.83747291
   1.12908232  0.55517918  0.58138745
   0.80297788  0.43670551  0.68072762
   0.74893715  0.10906254  0.92412473
   0.48151168  0.07376759  0.96334168
   0.53818298  0.54565444  0.01569672
   0.94085087  0.74617548  0.30875504
   0.58965627  0.81270735  0.04500307
   0.83321410  1.01664055  0.31573692
   0.95879950  0.95089290  0.17064839
   0.71292683  0.82307150  0.21924442
   0.81394931  0.57322043  0.43497144
   0.56791273  0.66155448  0.37131025
   0.60213371  0.58722379  0.54382693
   0.82124838  0.76099285  0.82141192
   0.69528044  0.82234953  0.49290830
   0.96723896  0.98548727  0.82762440
   0.98655912  0.82709980  0.67681779
   0.76312035  0.97613281  0.70475136
   0.77774541  0.62945080  0.96636823
   0.52933013  0.73739981  0.87418975
   0.76890614  0.75804050  0.63223384
   0.84610013  1.05084668  0.55057339
   0.96288045  0.29122435  0.10331149
   0.87711753  1.15483523  0.18527517
   0.36929243  0.09649138  0.64236523
   0.38242428  0.27013265  0.50975372
   0.51327215  1.32487351 -0.10362628
  -0.20311788  1.55502277  0.01703130
   0.68892396  0.42625593  0.85036838
   0.62745550  0.59074112  0.70239733
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811402    0.206303   -0.079435
    -0.000000    9.648688    0.024082
    -0.000000    0.000000   14.031588
   Si   O    H 
    32    64    10
Direct configuration=  3566
   0.14304898  0.19477302 -0.00362063
   0.36956250  0.10134010  0.40197208
   0.17766936  0.45433191  0.10580047
   0.39054351  0.34777342  0.25286109
   0.06967610  0.16601412  0.48362741
   0.38798233  0.11750625  0.87579138
   0.19043645  0.39338811  0.59854250
   0.38985536  0.39779500  0.75854872
   0.18774823  0.71636670  0.00106663
   0.40614241  0.62139739  0.37009038
   0.12510742  0.97199952  0.14664141
   0.36214391  0.87931814  0.27225507
   0.13964058  0.63946709  0.47992178
   0.37318271  0.70527685  0.82681061
   0.07604706  0.89005453  0.58398124
   0.38217004  0.94193523  0.67048552
   0.62638951  0.13167902  1.00327012
   0.83331352  0.17561576  0.33791065
   0.59601869  0.41222760  0.08354131
   0.90920569  0.39480684  0.17272011
   0.64103564  0.19070908  0.49296443
   0.88961053  0.11933052  0.87802813
   0.64287688  0.47428370  0.63401171
   0.81224578  0.40405011  0.79159998
   0.59319475  0.68490730 -0.02836653
   0.92598113  0.58409885  0.34775242
   0.60503215  0.90417318  0.14113582
   0.86556890  0.87999076  0.25289081
   0.67716923  0.66294933  0.45815710
   0.90918613  0.64863489  0.88179220
   0.69428034  0.88450900  0.60860185
   0.88082587  0.87966210  0.75096096
   0.17259122  0.12558299  0.10641923
   0.39495370  0.19560525  0.30789156
   0.19367444  0.35671561  0.01026793
   0.40778997  0.44412676  0.34556768
   0.50712521  0.37219533  0.16961462
   0.24666247  0.37047695  0.19604002
   0.20863809  0.09990105  0.43473982
  -0.03429365  0.22288406  0.39941311
  -0.00681614  0.03705592  0.54105487
   0.43649858  0.27796417  0.84476924
   0.07137894  0.28758172  0.57230506
   0.36928483  0.53734978  0.81705528
   0.51000756  0.38378311  0.68347045
   0.23926978  0.36986377  0.71307873
   0.23673206  0.12365794 -0.08525184
  -0.00604427  0.16141501  0.96420193
   0.25215266  0.60589899  0.07746656
   0.33071028  0.71123779  0.28271600
   0.16658853  0.85866840  0.06967131
   0.42308034  0.93869951  0.37641603
   0.45998186  0.92984678  0.18487238
   0.21201861  0.95145705  0.24337608
   0.30239337  0.66135632  0.45569578
   0.07608861  0.54358434  0.40095527
   0.30353406  0.35858757  0.51891531
   0.33812928  0.77957520  0.72666604
   0.05940612  0.77962549  0.49922884
   0.38501225  1.01792480  0.78347418
   0.53592482  0.89126523  0.63185833
   0.23763896  0.91161585  0.59866765
   0.28238990  0.74787003 -0.08254578
   0.03062262  0.68864268  0.95876215
   0.67354113  0.05377768  0.10484454
   0.84195577  0.23063478  0.22559797
   0.58876775  0.29629186  0.00358334
   0.87547890  0.47732129  0.27479487
   0.02053611  0.50566629  0.13924508
   0.75864100  0.44507521  0.10878900
   0.68477917  0.21431233  0.38204894
   0.47453962  0.16646616  0.48249343
   0.73448262  0.05330202  0.53005140
   0.87818361  0.25460051  0.81271580
   0.67189154  0.32926441  0.54974716
   0.93076973  0.50283956  0.83728104
   1.12740510  0.55428553  0.58092899
   0.80299645  0.43668576  0.68125131
   0.74828421  0.10878560  0.92500281
   0.48238679  0.07100564  0.96267962
   0.53605960  0.54421764  0.01639004
   0.93978420  0.74680296  0.30786323
   0.59027168  0.81242951  0.04481034
   0.83321356  1.01587140  0.31419211
   0.95839037  0.94880581  0.17086227
   0.71252449  0.82259961  0.21996459
   0.81358904  0.57677437  0.43429446
   0.56686108  0.66133039  0.37116367
   0.60253339  0.58769530  0.54347862
   0.82152710  0.76175605  0.82152011
   0.69433380  0.82300432  0.49191689
   0.96794204  0.98437270  0.82803268
   0.98519134  0.82811485  0.67791873
   0.76229583  0.97645607  0.70499178
   0.77795073  0.62991070  0.96655714
   0.52851967  0.73701423  0.87366209
   0.77070925  0.75810956  0.63327043
   0.83042109  1.05620619  0.54691856
   0.96651070  0.29547189  0.10481543
   0.88148040  1.16140720  0.18681006
   0.36827207  0.09921370  0.63594686
   0.38383379  0.27491451  0.51286147
   0.51458758  1.32616195 -0.10265523
  -0.20053254  1.55745035  0.02296896
   0.68838180  0.43393963  0.85322803
   0.62239507  0.59086528  0.70165073
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810976    0.207066   -0.078445
    -0.000000    9.650259    0.026401
    -0.000000    0.000000   14.030166
   Si   O    H 
    32    64    10
Direct configuration=  3567
   0.14344997  0.19374302 -0.00408771
   0.36941781  0.10102249  0.40255058
   0.17796899  0.45447515  0.10546347
   0.39108481  0.34717036  0.25167066
   0.06979663  0.16480827  0.48459368
   0.38737951  0.11754701  0.87688824
   0.18989846  0.39253174  0.59911088
   0.38987090  0.39812249  0.75816575
   0.18817865  0.71628214  0.00113057
   0.40529044  0.62090242  0.36987720
   0.12543312  0.97175647  0.14691993
   0.36167257  0.87873350  0.27119248
   0.13756910  0.63972740  0.47911162
   0.37487090  0.70436345  0.82658127
   0.07383997  0.89003908  0.58356067
   0.38167623  0.94183138  0.66950658
   0.62515873  0.13011195  1.00405801
   0.83329803  0.17627760  0.33742501
   0.59598293  0.41128396  0.08273222
   0.90896377  0.39511259  0.17318209
   0.64092442  0.19145007  0.49308233
   0.89091563  0.11977274  0.87772007
   0.64381230  0.47391621  0.63453656
   0.81023307  0.40447271  0.79156277
   0.59251990  0.68446819 -0.02748682
   0.92639823  0.58383868  0.34790982
   0.60450196  0.90364169  0.14279105
   0.86409284  0.87935691  0.25215617
   0.67683647  0.66243472  0.45842039
   0.90890996  0.64848959  0.88147219
   0.69563924  0.88547790  0.60895525
   0.88115284  0.87997242  0.75116820
   0.17246847  0.12445262  0.10713356
   0.39682903  0.19785856  0.30856968
   0.19366689  0.35745591  0.00962031
   0.40722037  0.44437068  0.34499604
   0.50567381  0.37383216  0.17117580
   0.24714938  0.37170908  0.19561727
   0.20928226  0.09946238  0.43449767
  -0.03416505  0.22213966  0.40012684
  -0.00624229  0.03646683  0.54138571
   0.43756352  0.27857759  0.84485783
   0.07215936  0.28884568  0.57170286
   0.36842930  0.53744697  0.81613493
   0.50944451  0.38330983  0.68306935
   0.23853485  0.37048487  0.71209748
   0.23597154  0.12537445 -0.08500816
  -0.00783879  0.16161681  0.96429154
   0.25452106  0.60393196  0.07758280
   0.33190532  0.71319817  0.28300626
   0.16750961  0.85891849  0.06904998
   0.42520324  0.94090116  0.37729369
   0.45988077  0.92962687  0.18304837
   0.21215110  0.95146073  0.24336040
   0.30294739  0.66090445  0.45667009
   0.07621968  0.54391431  0.40059756
   0.30505647  0.35714357  0.51956098
   0.33833579  0.77945312  0.72721641
   0.05765697  0.77880922  0.49899195
   0.38510337  1.01959126  0.78215021
   0.53654212  0.89171822  0.63100410
   0.23825697  0.91161074  0.59798542
   0.28205508  0.74719057 -0.08258085
   0.02929580  0.68730766  0.96087555
   0.67274716  0.05220374  0.10578420
   0.84194239  0.23279240  0.22534354
   0.58848016  0.29542049  0.00361176
   0.87636083  0.47638400  0.27526972
   0.01969491  0.50555517  0.13895372
   0.75792361  0.44645821  0.10985295
   0.68564712  0.21463616  0.38154902
   0.47491263  0.16444694  0.48185225
   0.73388058  0.05396129  0.53024821
   0.87693301  0.25410033  0.81341967
   0.67251151  0.32941431  0.54953729
   0.93334571  0.50290354  0.83682455
   1.12484287  0.55350204  0.58045631
   0.80265823  0.43637961  0.68214818
   0.74664917  0.10875394  0.92565403
   0.48381549  0.06784323  0.96262620
   0.53377947  0.54324492  0.01700903
   0.93907865  0.74598996  0.30710383
   0.59123978  0.81246739  0.04519401
   0.83371053  1.01529315  0.31290898
   0.95836968  0.94697696  0.17106876
   0.71292260  0.82343172  0.22041907
   0.81367366  0.58007141  0.43388352
   0.56528013  0.66034618  0.37061426
   0.60355017  0.58806655  0.54333053
   0.82225085  0.76192632  0.82129368
   0.69350413  0.82363299  0.49155721
   0.96796728  0.98372122  0.82837938
   0.98445569  0.82922401  0.67841591
   0.76181191  0.97689449  0.70478754
   0.77731670  0.62963139  0.96705270
   0.52744590  0.73709501  0.87334360
   0.77474090  0.75795672  0.63475294
   0.82356881  1.06144328  0.54331843
   0.96889869  0.30048096  0.10607185
   0.88920482  1.15523340  0.18427536
   0.36981064  0.09842037  0.63272738
   0.37666708  0.28784490  0.51755763
   0.51169262  1.32503406 -0.10271223
  -0.20180085  1.56124867  0.02536258
   0.68800042  0.43741280  0.85298365
   0.61713762  0.59168056  0.70366621
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810285    0.208598   -0.076616
    -0.000000    9.651424    0.028761
    -0.000000    0.000000   14.028466
   Si   O    H 
    32    64    10
Direct configuration=  3568
   0.14335537  0.19318824 -0.00469431
   0.36883311  0.10051665  0.40263271
   0.17809431  0.45514596  0.10532654
   0.39162061  0.34703707  0.25051699
   0.06997142  0.16414166  0.48580665
   0.38616241  0.11688236  0.87746855
   0.18982228  0.39179666  0.59992962
   0.38962479  0.39820516  0.75797627
   0.18800637  0.71629539  0.00161861
   0.40465721  0.61987180  0.36954439
   0.12565147  0.97115161  0.14711131
   0.36112699  0.87820105  0.27036526
   0.13578938  0.64072532  0.47862887
   0.37628281  0.70323846  0.82611705
   0.07174724  0.89063795  0.58328238
   0.38176138  0.94185580  0.66929068
   0.62385450  0.12841305  1.00435921
   0.83371071  0.17691012  0.33729231
   0.59579807  0.41076301  0.08206676
   0.90828297  0.39543771  0.17344631
   0.64128613  0.19229524  0.49338714
   0.89281841  0.11982317  0.87690565
   0.64455093  0.47391905  0.63477513
   0.80853935  0.40458865  0.79177228
   0.59205381  0.68400071 -0.02697451
   0.92633880  0.58398876  0.34859140
   0.60431705  0.90304711  0.14459328
   0.86272176  0.87902769  0.25203661
   0.67558635  0.66281356  0.45852056
   0.90838918  0.64848688  0.88160402
   0.69668866  0.88604666  0.60926159
   0.88115389  0.88038577  0.75171106
   0.17166924  0.12283432  0.10713284
   0.39826028  0.19966473  0.30908859
   0.19365260  0.35799998  0.00916954
   0.40697762  0.44599514  0.34377931
   0.50336775  0.37544591  0.17298384
   0.24782288  0.37261770  0.19558986
   0.20936210  0.09945597  0.43451062
  -0.03435685  0.22150877  0.40048248
  -0.00432810  0.03606253  0.54196987
   0.43879779  0.27910336  0.84549764
   0.07232610  0.28975667  0.57091452
   0.36744193  0.53685066  0.81497339
   0.50898199  0.38284727  0.68252596
   0.23799834  0.37187861  0.71121930
   0.23593439  0.12672725 -0.08456837
  -0.00931916  0.16172052  0.96463034
   0.25555374  0.60151356  0.07759222
   0.33348563  0.71466330  0.28314784
   0.16842867  0.85786403  0.06770225
   0.42664211  0.94319931  0.37717224
   0.45998438  0.92884236  0.18229377
   0.21216383  0.95079770  0.24352734
   0.30242314  0.66011163  0.45746616
   0.07617745  0.54433405  0.39976709
   0.30597226  0.35714725  0.51966820
   0.33786295  0.77917159  0.72809021
   0.05618909  0.77802713  0.49895113
   0.38416297  1.02113945  0.78087499
   0.53655672  0.89209848  0.62982737
   0.23861038  0.91109508  0.59698440
   0.28220751  0.74641368 -0.08301668
   0.02809299  0.68527758  0.96226936
   0.67227053  0.05034504  0.10639793
   0.84129062  0.23451202  0.22507588
   0.58841512  0.29496657  0.00339234
   0.87759591  0.47486971  0.27581760
   0.01939224  0.50542710  0.13839830
   0.75697306  0.44761625  0.11082478
   0.68685889  0.21590905  0.38136670
   0.47560023  0.16189168  0.48089011
   0.73140512  0.05409109  0.53013170
   0.87579858  0.25272832  0.81362333
   0.67240554  0.32990922  0.54969291
   0.93661865  0.50283557  0.83687868
   1.12201812  0.55271157  0.58044210
   0.80193928  0.43570337  0.68224261
   0.74475750  0.10764030  0.92633386
   0.48523548  0.06454974  0.96273971
   0.53270883  0.54197056  0.01785847
   0.93836052  0.74454944  0.30563315
   0.59174324  0.81310593  0.04643930
   0.83465962  1.01495298  0.31205537
   0.95914515  0.94454322  0.17112657
   0.71329244  0.82417684  0.22057328
   0.81382733  0.58237111  0.43342434
   0.56344259  0.65973768  0.37013478
   0.60456046  0.58777159  0.54356276
   0.82289685  0.76231253  0.82112029
   0.69314103  0.82427052  0.49118139
   0.96732648  0.98311228  0.82775737
   0.98378410  0.83016115  0.67867323
   0.76180563  0.97750989  0.70445672
   0.77704885  0.62964410  0.96758487
   0.52652749  0.73643253  0.87297678
   0.77631366  0.75547780  0.63800139
   0.83923190  1.07180060  0.54289582
   0.97550341  0.30098126  0.10614146
   0.89035621  1.15581837  0.18438265
   0.37230004  0.09640434  0.63016049
   0.37685911  0.29653098  0.52284187
   0.50413505  1.32225402 -0.10453439
  -0.20368581  1.56961074  0.02448721
   0.68840469  0.43993453  0.84921306
   0.61211826  0.59102652  0.70582515
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809763    0.209535   -0.074764
    -0.000000    9.652093    0.031142
    -0.000000    0.000000   14.026891
   Si   O    H 
    32    64    10
Direct configuration=  3569
   0.14350513  0.19203804 -0.00497085
   0.36813698  0.10006075  0.40260713
   0.17806881  0.45620642  0.10534424
   0.39231441  0.34654895  0.25011960
   0.06994237  0.16365966  0.48690806
   0.38462637  0.11611167  0.87787217
   0.19000403  0.39179888  0.60043074
   0.38950595  0.39778868  0.75791823
   0.18735165  0.71654453  0.00297393
   0.40404287  0.61889940  0.36942929
   0.12553744  0.97036420  0.14680653
   0.36077984  0.87794051  0.26967862
   0.13466970  0.64063529  0.47855570
   0.37714671  0.70274227  0.82577998
   0.07010226  0.89165306  0.58344238
   0.38182971  0.94147086  0.66920820
   0.62287642  0.12646869  1.00442942
   0.83421827  0.17790479  0.33781454
   0.59542970  0.41033759  0.08148094
   0.90743016  0.39653180  0.17347261
   0.64199711  0.19287436  0.49386549
   0.89486007  0.11993905  0.87619362
   0.64479575  0.47372291  0.63448894
   0.80731594  0.40478795  0.79219738
   0.59239560  0.68412745 -0.02672928
   0.92631669  0.58492113  0.34960052
   0.60429900  0.90258807  0.14681433
   0.86144561  0.87882012  0.25185084
   0.67456877  0.66348397  0.45889599
   0.90794745  0.64913523  0.88201230
   0.69747881  0.88713679  0.60946812
   0.88100630  0.88101669  0.75274004
   0.17096484  0.12148464  0.10671130
   0.39963174  0.20068501  0.30932217
   0.19271865  0.35818515  0.00910466
   0.40664577  0.44841776  0.34163934
   0.50117857  0.37640146  0.17412015
   0.24829915  0.37344254  0.19590294
   0.20927842  0.09959541  0.43465241
  -0.03430792  0.22113285  0.40097675
  -0.00309047  0.03517422  0.54245340
   0.44054796  0.27970919  0.84654703
   0.07204883  0.29010360  0.56995652
   0.36710623  0.53603615  0.81410601
   0.50850259  0.38147839  0.68265395
   0.23734873  0.37260674  0.71059663
   0.23516349  0.12834026 -0.08359976
  -0.01087212  0.16220193  0.96440879
   0.25584550  0.60003298  0.07757288
   0.33492631  0.71560716  0.28298039
   0.17016613  0.85676378  0.06713705
   0.42869193  0.94503973  0.37640646
   0.45983897  0.92912984  0.18166125
   0.21210195  0.95016720  0.24363761
   0.30145409  0.65941859  0.45825591
   0.07588361  0.54388417  0.39842101
   0.30601243  0.35869670  0.52023649
   0.33696357  0.77900715  0.72915506
   0.05412078  0.77771355  0.49896459
   0.38344587  1.02244712  0.78056616
   0.53691488  0.89226589  0.62858054
   0.23833147  0.91061857  0.59594090
   0.28193705  0.74465974 -0.08401788
   0.02735081  0.68331121  0.96267766
   0.67132015  0.04998124  0.10660709
   0.84102031  0.23616724  0.22462141
   0.58862697  0.29375838  0.00276377
   0.87871790  0.47356976  0.27696458
   0.02011526  0.50557621  0.13766508
   0.75587272  0.44758427  0.11165723
   0.68740899  0.21754590  0.38093850
   0.47617927  0.15907904  0.48034423
   0.72968554  0.05429128  0.53025903
   0.87463498  0.25189684  0.81342618
   0.67136047  0.33134750  0.54994575
   0.93885595  0.50230046  0.83702074
   1.11902908  0.55194295  0.58064636
   0.80248936  0.43509917  0.68187178
   0.74245465  0.10642337  0.92729064
   0.48721339  0.06168328  0.96309973
   0.53174961  0.54160369  0.01865939
   0.93854608  0.74338891  0.30476332
   0.59324254  0.81328176  0.04790935
   0.83604138  1.01387564  0.31158964
   0.96033675  0.94258052  0.17108820
   0.71332014  0.82456612  0.22048999
   0.81297731  0.58635180  0.43275684
   0.56275160  0.65850713  0.36972566
   0.60639761  0.58580293  0.54353525
   0.82293439  0.76285105  0.82119314
   0.69283977  0.82457859  0.49064178
   0.96554367  0.98302308  0.82755627
   0.98399979  0.83064010  0.67805450
   0.76126094  0.97840614  0.70358486
   0.77721131  0.63003422  0.96773658
   0.52720718  0.73626794  0.87270476
   0.77674887  0.75339696  0.64283347
   0.84777740  1.07745051  0.54313415
   0.98240892  0.29719319  0.10525058
   0.88878031  1.15816631  0.18696633
   0.37663969  0.08976898  0.63182958
   0.39305390  0.28772453  0.52856020
   0.49514773  1.31885671 -0.10327054
  -0.20662234  1.57167908  0.02607562
   0.68736384  0.44107246  0.84284602
   0.61108257  0.59131028  0.70741351
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.808966    0.210223   -0.073245
    -0.000000    9.651981    0.033299
    -0.000000    0.000000   14.025317
   Si   O    H 
    32    64    10
Direct configuration=  3570
   0.14321331  0.19087827 -0.00494679
   0.36724789  0.10038941  0.40214133
   0.17788429  0.45648796  0.10562337
   0.39303381  0.34665039  0.24991371
   0.07023430  0.16324725  0.48773296
   0.38385239  0.11482665  0.87793220
   0.19061941  0.39235973  0.60077879
   0.38943725  0.39739390  0.75741293
   0.18622385  0.71658339  0.00429964
   0.40354467  0.61823451  0.36899123
   0.12487903  0.96969613  0.14641213
   0.36000776  0.87834973  0.26912158
   0.13400836  0.63959441  0.47915894
   0.37825196  0.70256101  0.82530033
   0.06852986  0.89343856  0.58387398
   0.38214808  0.94114001  0.66915280
   0.62248982  0.12461374  1.00496013
   0.83454264  0.17816806  0.33852166
   0.59607229  0.41012567  0.08109933
   0.90682448  0.39731297  0.17313270
   0.64253767  0.19372160  0.49378662
   0.89692705  0.11971570  0.87576191
   0.64431001  0.47375484  0.63419507
   0.80679873  0.40432698  0.79259728
   0.59355772  0.68507885 -0.02641529
   0.92564438  0.58543362  0.35036615
   0.60432428  0.90286569  0.14889935
   0.86017310  0.87879677  0.25148284
   0.67266618  0.66461117  0.45880677
   0.90838637  0.64947480  0.88338116
   0.69777009  0.88807726  0.60931900
   0.88060630  0.88168962  0.75433215
   0.17024125  0.11976396  0.10590957
   0.40094316  0.20084820  0.30966383
   0.19200743  0.35767069  0.00885808
   0.40627724  0.45162510  0.33895518
   0.50042361  0.37775812  0.17505763
   0.24811689  0.37434574  0.19629476
   0.20888446  0.10029225  0.43506773
  -0.03444823  0.21986820  0.40186937
  -0.00287660  0.03416539  0.54305899
   0.44188710  0.28016402  0.84685352
   0.07141920  0.28947799  0.56904558
   0.36687870  0.53601534  0.81326901
   0.50806072  0.38004662  0.68258854
   0.23719443  0.37252706  0.71016885
   0.23504312  0.12964890 -0.08262215
  -0.01229421  0.16257422  0.96490101
   0.25572801  0.59897603  0.07661333
   0.33679033  0.71661850  0.28281198
   0.17178795  0.85559774  0.06644828
   0.43058705  0.94620506  0.37514996
   0.45928206  0.92928402  0.18190769
   0.21250395  0.94990494  0.24381301
   0.30021028  0.65862115  0.45944588
   0.07519338  0.54352751  0.39698522
   0.30653632  0.35989150  0.52090087
   0.33599737  0.77925093  0.73025241
   0.05222433  0.77893245  0.49921906
   0.38278223  1.02423792  0.78046029
   0.53707171  0.89227702  0.62764040
   0.23794805  0.91012559  0.59470042
   0.28174341  0.74366891 -0.08491415
   0.02692927  0.68164535  0.96257262
   0.67033560  0.05064931  0.10677943
   0.84064254  0.23758251  0.22433584
   0.58942004  0.29291157  0.00227359
   0.87915246  0.47211733  0.27777895
   0.02081740  0.50514645  0.13729273
   0.75449678  0.44760256  0.11252617
   0.68822675  0.21944316  0.38020056
   0.47577368  0.15602919  0.47967021
   0.72843228  0.05478591  0.53000860
   0.87364169  0.25115949  0.81351157
   0.67067723  0.33267729  0.55037967
   0.94089790  0.50178022  0.83716116
   1.11685219  0.55115797  0.58048491
   0.80334231  0.43469344  0.68152857
   0.74029670  0.10512685  0.92875557
   0.48909876  0.05851360  0.96403295
   0.53108675  0.54174132  0.02016539
   0.93799301  0.74345236  0.30453922
   0.59470141  0.81338296  0.04918002
   0.83751886  1.01398606  0.31198986
   0.96208775  0.94080789  0.17131446
   0.71251360  0.82481422  0.22025013
   0.81216621  0.59060836  0.43203507
   0.56225378  0.65752071  0.36946626
   0.60734875  0.58285104  0.54328581
   0.82263327  0.76281253  0.82124145
   0.69213374  0.82455926  0.48984829
   0.96390009  0.98314287  0.82744407
   0.98477930  0.83063628  0.67720194
   0.76076920  0.97912657  0.70274929
   0.77628135  0.63055773  0.96784581
   0.52782618  0.73613132  0.87271125
   0.77328724  0.75364185  0.64730552
   0.84141599  1.07451200  0.54236691
   0.98406793  0.29248624  0.10716246
   0.88219532  1.16276262  0.18880884
   0.37998136  0.08474889  0.63442773
   0.40099955  0.28671948  0.53124709
   0.49287128  1.32120917 -0.09677240
  -0.20913755  1.57566137  0.02847658
   0.67785237  0.44091660  0.83643269
   0.61447114  0.59129248  0.70756878
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807901    0.210555   -0.072195
    -0.000000    9.652087    0.035464
    -0.000000    0.000000   14.023980
   Si   O    H 
    32    64    10
Direct configuration=  3571
   0.14238640  0.18992058 -0.00387783
   0.36644891  0.10051198  0.40159864
   0.17776462  0.45641746  0.10620569
   0.39336159  0.34651598  0.25025346
   0.07091682  0.16278455  0.48793710
   0.38329751  0.11319463  0.87787937
   0.19138509  0.39322894  0.60077231
   0.38928047  0.39703355  0.75686560
   0.18542429  0.71605493  0.00522067
   0.40292729  0.61709196  0.36859601
   0.12438697  0.96934382  0.14569993
   0.35889954  0.87910189  0.26865049
   0.13367177  0.63787570  0.48021086
   0.37925322  0.70261161  0.82474175
   0.06769159  0.89441495  0.58469084
   0.38192519  0.94063151  0.66938725
   0.62308430  0.12301808  1.00582862
   0.83429889  0.17857460  0.33894141
   0.59682309  0.41018787  0.08102202
   0.90680591  0.39787641  0.17265358
   0.64336388  0.19537072  0.49378614
   0.89869555  0.11974033  0.87570165
   0.64367262  0.47384310  0.63368003
   0.80691148  0.40356937  0.79297252
   0.59442929  0.68595452 -0.02612167
   0.92496236  0.58604875  0.35090686
   0.60513756  0.90332947  0.15094929
   0.85908501  0.87860835  0.25147825
   0.67062965  0.66629158  0.45854646
   0.90881919  0.65020012  0.88496789
   0.69835644  0.88895988  0.60878821
   0.88037674  0.88149034  0.75564613
   0.16845723  0.11809506  0.10547904
   0.40221579  0.20150154  0.30959965
   0.19154559  0.35687904  0.00902631
   0.40531391  0.45469608  0.33629619
   0.50119215  0.37786997  0.17586676
   0.24796883  0.37580211  0.19653597
   0.20933145  0.10108894  0.43557739
  -0.03466648  0.21816016  0.40302562
  -0.00330529  0.03383492  0.54330687
   0.44302608  0.28033159  0.84750396
   0.07032940  0.28770509  0.56842488
   0.36670493  0.53545458  0.81287062
   0.50730919  0.37806226  0.68279256
   0.23702227  0.37305145  0.71046984
   0.23495862  0.13065359 -0.08232939
  -0.01226564  0.16340714  0.96614051
   0.25600988  0.59836885  0.07598731
   0.33845499  0.71723457  0.28292938
   0.17364637  0.85467548  0.06643192
   0.43221460  0.94707329  0.37393310
   0.45720273  0.92854485  0.18249807
   0.21276242  0.94960782  0.24383486
   0.29897923  0.65753166  0.46015858
   0.07421187  0.54341476  0.39538260
   0.30746334  0.36024233  0.52136527
   0.33497622  0.77938794  0.73104439
   0.05054695  0.77969400  0.49948014
   0.38206742  1.02508253  0.78088632
   0.53708214  0.89274475  0.62665229
   0.23717842  0.91064636  0.59377323
   0.28145361  0.74301930 -0.08505716
   0.02629230  0.67982875  0.96228125
   0.66952233  0.05140388  0.10699643
   0.83984616  0.23930293  0.22468704
   0.58986409  0.29096014  0.00262867
   0.87927209  0.47108036  0.27810053
   0.02100200  0.50513184  0.13727527
   0.75310488  0.44700467  0.11260847
   0.68945425  0.22225824  0.37941562
   0.47538341  0.15502465  0.47963967
   0.72818699  0.05525996  0.53010581
   0.87311810  0.25131112  0.81353350
   0.67016088  0.33419637  0.55080500
   0.94235999  0.50076757  0.83704014
   1.11529284  0.55088159  0.58038991
   0.80354383  0.43495792  0.68132145
   0.73947286  0.10383798  0.92991882
   0.49119882  0.05620791  0.96453160
   0.53075856  0.54263529  0.02152397
   0.93728757  0.74293627  0.30356315
   0.59548074  0.81313435  0.05118809
   0.83934317  1.01421817  0.31383546
   0.96321070  0.93923905  0.17076755
   0.71095367  0.82458868  0.22013106
   0.81250997  0.59382986  0.43138218
   0.56156111  0.65572572  0.36900183
   0.60816392  0.57982888  0.54341408
   0.82306431  0.76290673  0.82157666
   0.69095327  0.82415090  0.48919753
   0.96243498  0.98307152  0.82766205
   0.98612005  0.83077922  0.67598141
   0.75944392  0.97941392  0.70139977
   0.77414224  0.63121650  0.96834219
   0.52842818  0.73563748  0.87282824
   0.76248780  0.75683811  0.65048259
   0.82375445  1.06928792  0.54229495
   0.98187337  0.28979125  0.11036540
   0.88013345  1.16101317  0.18577238
   0.38403937  0.07742312  0.63544001
   0.39686382  0.29116966  0.53291824
   0.49415719  1.32467736 -0.09028719
  -0.20879514  1.58133323  0.03285587
   0.66489655  0.44023262  0.83254651
   0.62115416  0.59328931  0.70898836
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807153    0.211495   -0.071224
    -0.000000    9.652460    0.037494
    -0.000000    0.000000   14.022992
   Si   O    H 
    32    64    10
Direct configuration=  3572
   0.14158554  0.18937173 -0.00233402
   0.36549515  0.10028180  0.40079457
   0.17756465  0.45620698  0.10650074
   0.39276822  0.34621629  0.25085805
   0.07153474  0.16232410  0.48798327
   0.38367762  0.11051061  0.87770677
   0.19259858  0.39410611  0.60053342
   0.38947382  0.39661875  0.75657193
   0.18513148  0.71565437  0.00638820
   0.40203270  0.61606883  0.36778766
   0.12482958  0.96852502  0.14483367
   0.35797111  0.87990775  0.26878690
   0.13341641  0.63594392  0.48127121
   0.38040628  0.70310679  0.82434605
   0.06783963  0.89506554  0.58525699
   0.38207266  0.94015688  0.66989296
   0.62346884  0.12214541  1.00661610
   0.83402432  0.17936542  0.33919205
   0.59745107  0.41015289  0.08084249
   0.90641500  0.39768907  0.17247820
   0.64355698  0.19710021  0.49373204
   0.90035370  0.11938922  0.87558303
   0.64286480  0.47392748  0.63348419
   0.80781207  0.40287355  0.79293408
   0.59578392  0.68704567 -0.02576912
   0.92450337  0.58587456  0.35157722
   0.60593367  0.90325494  0.15250601
   0.85810315  0.87816001  0.25181432
   0.66871363  0.66770782  0.45819530
   0.90945415  0.65113555  0.88659304
   0.69866220  0.89019978  0.60825813
   0.88028755  0.88177833  0.75720668
   0.16663939  0.11646691  0.10492386
   0.40331305  0.20159906  0.30915341
   0.19066061  0.35655570  0.00972098
   0.40404110  0.45838758  0.33386657
   0.50308823  0.37788691  0.17553528
   0.24753177  0.37770712  0.19690832
   0.21011357  0.10175624  0.43569775
  -0.03593439  0.21654358  0.40354111
  -0.00341169  0.03384138  0.54353436
   0.44455593  0.28116891  0.84877492
   0.06984753  0.28602001  0.56779469
   0.36591724  0.53432012  0.81221124
   0.50715192  0.37601097  0.68275717
   0.23665777  0.37388245  0.71104479
   0.23527618  0.13133419 -0.08234596
  -0.01259059  0.16416795  0.96773677
   0.25611811  0.59763173  0.07561361
   0.33963397  0.71690239  0.28300498
   0.17533447  0.85327573  0.06633965
   0.43334526  0.94757978  0.37207118
   0.45465366  0.92733448  0.18330310
   0.21268916  0.94941307  0.24317792
   0.29780199  0.65660234  0.46017867
   0.07319902  0.54363668  0.39348495
   0.30903559  0.36051038  0.52141023
   0.33476562  0.77937915  0.73231696
   0.04843302  0.78148480  0.49998325
   0.38172344  1.02693011  0.78145970
   0.53647060  0.89369873  0.62571668
   0.23635575  0.91122334  0.59326620
   0.28095923  0.74216424 -0.08528719
   0.02589638  0.67791114  0.96234036
   0.66926605  0.05159835  0.10649496
   0.83931824  0.24120634  0.22489774
   0.58897508  0.29000222  0.00252017
   0.87987133  0.46970468  0.27770051
   0.02096664  0.50514480  0.13726333
   0.75193090  0.44653238  0.11240152
   0.69030533  0.22457970  0.37880257
   0.47562596  0.15387767  0.47958667
   0.72784748  0.05537216  0.53026046
   0.87293003  0.25143801  0.81347439
   0.67108541  0.33498417  0.55164787
   0.94321122  0.49953222  0.83718080
   1.11443379  0.54981245  0.58071870
   0.80311938  0.43536123  0.68109553
   0.74046091  0.10326494  0.93132477
   0.49199083  0.05412267  0.96463966
   0.53035745  0.54354888  0.02276766
   0.93642005  0.74294588  0.30223372
   0.59652176  0.81234156  0.05290340
   0.84031827  1.01506054  0.31615363
   0.96409372  0.93692535  0.16990017
   0.71041533  0.82409623  0.22038200
   0.81223963  0.59599585  0.43104085
   0.56117977  0.65401125  0.36940521
   0.60902844  0.57699871  0.54331419
   0.82396159  0.76312361  0.82184289
   0.68967608  0.82419521  0.48845265
   0.96190866  0.98348743  0.82782623
   0.98791858  0.83158410  0.67504179
   0.75857763  0.98004308  0.69957484
   0.77211695  0.63109345  0.96806132
   0.52950061  0.73394516  0.87337629
   0.75265578  0.75683237  0.65271300
   0.81502584  1.06690905  0.54170183
   0.97888490  0.29000519  0.11477707
   0.87657773  1.16179676  0.18437720
   0.38557598  0.07321741  0.63447802
   0.38093034  0.30222360  0.53334241
   0.49294071  1.32217489 -0.08840977
  -0.21157845  1.58374783  0.03519709
   0.65879502  0.44033513  0.83077102
   0.62742284  0.59152345  0.71067393
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806333    0.212940   -0.070153
    -0.000000    9.652643    0.040190
    -0.000000    0.000000   14.022130
   Si   O    H 
    32    64    10
Direct configuration=  3573
   0.14074714  0.18921156 -0.00069250
   0.36523168  0.10071781  0.40012272
   0.17621147  0.45624623  0.10649285
   0.39214894  0.34602829  0.25175516
   0.07174921  0.16202079  0.48805270
   0.38484858  0.10840104  0.87757909
   0.19380033  0.39543647  0.60006542
   0.38936750  0.39558532  0.75650947
   0.18415608  0.71520715  0.00712674
   0.40075547  0.61519595  0.36694663
   0.12484925  0.96733667  0.14392214
   0.35705994  0.88010128  0.26949231
   0.13354004  0.63481294  0.48202224
   0.38111481  0.70324504  0.82339839
   0.06800834  0.89593149  0.58557885
   0.38228423  0.93895832  0.67032465
   0.62403877  0.12119627  1.00784123
   0.83402915  0.17992049  0.33939830
   0.59766957  0.41031895  0.08067082
   0.90577330  0.39808113  0.17234048
   0.64341391  0.19876322  0.49379983
   0.90106046  0.11911201  0.87552813
   0.64201748  0.47420945  0.63332824
   0.80891292  0.40242102  0.79250524
   0.59724976  0.68850834 -0.02527863
   0.92456780  0.58576277  0.35203163
   0.60664546  0.90328039  0.15416542
   0.85745336  0.87740460  0.25253775
   0.66739777  0.66828488  0.45809162
   0.90958231  0.65168109  0.88788677
   0.69817886  0.89137371  0.60770810
   0.88023461  0.88224904  0.75851244
   0.16437071  0.11505191  0.10415285
   0.40411848  0.20205272  0.30812509
   0.18938350  0.35562600  0.01021207
   0.40316732  0.46129309  0.33167375
   0.50577554  0.37706599  0.17478601
   0.24732940  0.37896182  0.19701105
   0.20987119  0.10164608  0.43615196
  -0.03733938  0.21444850  0.40379247
  -0.00275998  0.03456360  0.54385981
   0.44563911  0.28148694  0.84930672
   0.06977260  0.28382260  0.56696339
   0.36538976  0.53297709  0.81203045
   0.50725248  0.37452980  0.68295434
   0.23596304  0.37462287  0.71181240
   0.23579858  0.13199219 -0.08228894
  -0.01266422  0.16523093  0.96916496
   0.25618219  0.59815831  0.07522164
   0.34117124  0.71637951  0.28310220
   0.17675607  0.85177108  0.06623043
   0.43419095  0.94878389  0.37028542
   0.45159491  0.92606466  0.18481406
   0.21223204  0.94978532  0.24241576
   0.29679384  0.65587807  0.46051598
   0.07348024  0.54478767  0.39173153
   0.30921956  0.36168428  0.52124743
   0.33378524  0.77894407  0.73366206
   0.04668082  0.78282604  0.50003802
   0.38213893  1.02774433  0.78207599
   0.53569720  0.89382387  0.62455218
   0.23573005  0.91166139  0.59233074
   0.28034518  0.74183203 -0.08543101
   0.02578817  0.67696964  0.96253431
   0.66885662  0.05126168  0.10649304
   0.83877591  0.24196233  0.22503742
   0.58861514  0.28966860  0.00209619
   0.88023673  0.46846818  0.27705836
   0.02040297  0.50592775  0.13723240
   0.75106830  0.44632409  0.11141041
   0.69037771  0.22709228  0.37902800
   0.47640203  0.15269652  0.47914784
   0.72568153  0.05511156  0.52972628
   0.87273792  0.25035678  0.81256228
   0.67181978  0.33482589  0.55219588
   0.94329276  0.49896917  0.83710300
   1.11426839  0.54825853  0.58156418
   0.80244123  0.43565392  0.68073094
   0.74202814  0.10260297  0.93208121
   0.49133866  0.05223546  0.96465305
   0.52966422  0.54556055  0.02356871
   0.93559774  0.74276144  0.30060218
   0.59771029  0.81060129  0.05426918
   0.84097416  1.01560317  0.31819232
   0.96556168  0.93543848  0.16836320
   0.71001971  0.82369105  0.22049430
   0.81223099  0.59787508  0.43099109
   0.56086482  0.65230669  0.36959775
   0.60873820  0.57514197  0.54342317
   0.82543820  0.76351868  0.82272722
   0.68922834  0.82471487  0.48839258
   0.96187636  0.98390246  0.82827493
   0.99060318  0.83219179  0.67406485
   0.75852624  0.98051647  0.69875359
   0.76920385  0.63049182  0.96848334
   0.53053747  0.73341689  0.87377676
   0.74820620  0.75905020  0.65501102
   0.83899086  1.07098970  0.54581359
   0.97385369  0.28995557  0.11767106
   0.87169491  1.16297138  0.18193448
   0.38810653  0.07791447  0.63284172
   0.38225244  0.29702322  0.53536724
   0.49097280  1.31594961 -0.08621093
  -0.21413241  1.58747896  0.03444765
   0.66019540  0.43657679  0.83062476
   0.63359040  0.58734709  0.71046805
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805842    0.214055   -0.069029
    -0.000000    9.652642    0.043050
    -0.000000    0.000000   14.020814
   Si   O    H 
    32    64    10
Direct configuration=  3574
   0.14087201  0.18921867  0.00132798
   0.36521116  0.10097395  0.39949825
   0.17527999  0.45536056  0.10646638
   0.39161344  0.34627099  0.25300751
   0.07141416  0.16223985  0.48803160
   0.38574711  0.10672671  0.87727668
   0.19401776  0.39715926  0.59954372
   0.38898344  0.39422398  0.75651269
   0.18307627  0.71487582  0.00720121
   0.39859105  0.61413622  0.36554713
   0.12463214  0.96553167  0.14287277
   0.35669419  0.88005702  0.27043724
   0.13348343  0.63404113  0.48295526
   0.38127040  0.70325659  0.82293974
   0.06879983  0.89625741  0.58613084
   0.38265942  0.93788238  0.67098679
   0.62431126  0.12003164  1.00892800
   0.83379923  0.18001202  0.33909736
   0.59761256  0.41054998  0.08085328
   0.90498409  0.39845320  0.17247816
   0.64299273  0.20046544  0.49399914
   0.90143989  0.11864657  0.87586229
   0.64093706  0.47413809  0.63312033
   0.81029057  0.40193810  0.79208845
   0.59844941  0.68946887 -0.02509785
   0.92503554  0.58523644  0.35235147
   0.60759349  0.90411906  0.15525725
   0.85760517  0.87626248  0.25333928
   0.66554406  0.66905647  0.45825446
   0.90900079  0.65187049  0.88872800
   0.69682791  0.89205017  0.60643051
   0.88000633  0.88277480  0.75916135
   0.16260078  0.11448713  0.10316585
   0.40537677  0.20217657  0.30708167
   0.18825997  0.35406408  0.01079228
   0.40220721  0.46325181  0.32936837
   0.50862249  0.37565179  0.17441267
   0.24685507  0.38098172  0.19705179
   0.20943743  0.10226614  0.43701397
  -0.03887988  0.21308402  0.40389869
  -0.00204420  0.03522549  0.54420198
   0.44695581  0.28112869  0.84917980
   0.06988181  0.28247420  0.56578831
   0.36470781  0.53210315  0.81222541
   0.50776774  0.37269685  0.68281130
   0.23460675  0.37504227  0.71271872
   0.23628256  0.13206353 -0.08249386
  -0.01332105  0.16560937  0.96985564
   0.25587434  0.59801005  0.07499514
   0.34249502  0.71638025  0.28304079
   0.17717542  0.85018836  0.06620124
   0.43452759  0.95097521  0.36845940
   0.45020224  0.92595795  0.18615824
   0.21212325  0.95011864  0.24168207
   0.29663816  0.65457877  0.46064400
   0.07300442  0.54565518  0.39039855
   0.30876204  0.36254591  0.52134925
   0.33429126  0.77955732  0.73378027
   0.04545019  0.78384192  0.49919892
   0.38330609  1.02776845  0.78213140
   0.53405027  0.89356777  0.62350095
   0.23486814  0.91212088  0.59152045
   0.27959421  0.74108668 -0.08573756
   0.02628120  0.67612831  0.96343014
   0.66895774  0.05148765  0.10635550
   0.83804725  0.24139771  0.22533736
   0.58827363  0.28957957  0.00141890
   0.88070107  0.46715608  0.27595707
   0.02076450  0.50684074  0.13679056
   0.75101345  0.44614017  0.11065582
   0.69010391  0.22857648  0.37923958
   0.47781660  0.15249222  0.47892577
   0.72479980  0.05482089  0.52893925
   0.87262142  0.24953121  0.81119513
   0.67261287  0.33490262  0.55236171
   0.94220998  0.49901142  0.83728841
   1.11422671  0.54723818  0.58225930
   0.80175151  0.43571022  0.68039483
   0.74379098  0.10221534  0.93232187
   0.48915859  0.05088926  0.96441076
   0.53003198  0.54901250  0.02509089
   0.93460579  0.74273093  0.29942539
   0.59937487  0.80900225  0.05552962
   0.84160144  1.01569296  0.32000422
   0.96717608  0.93434958  0.16731665
   0.71100625  0.82296976  0.22065087
   0.81192979  0.59859846  0.43142063
   0.56011236  0.65088247  0.36998097
   0.60836742  0.57301809  0.54368269
   0.82709606  0.76273888  0.82384936
   0.68809826  0.82557532  0.48905840
   0.96208243  0.98364245  0.82816794
   0.99270159  0.83289581  0.67342448
   0.75968895  0.98036670  0.69890896
   0.76692487  0.63078794  0.96910272
   0.53198009  0.73206992  0.87389279
   0.74980564  0.76369503  0.65578192
   0.85070958  1.07355518  0.54853667
   0.97501336  0.28906195  0.11832317
   0.86488739  1.16889954  0.18393072
   0.39295187  0.08311680  0.63157996
   0.38950549  0.28834025  0.53614020
   0.49071051  1.31127816 -0.08748784
  -0.21677895  1.58750173  0.02971650
   0.66609662  0.43078746  0.82995929
   0.62984369  0.58319016  0.70710668
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805800    0.215293   -0.067890
    -0.000000    9.652297    0.046491
    -0.000000    0.000000   14.019620
   Si   O    H 
    32    64    10
Direct configuration=  3575
   0.14112065  0.18944453  0.00321499
   0.36573870  0.10155679  0.39894824
   0.17468023  0.45457728  0.10655774
   0.39171085  0.34627124  0.25381473
   0.07075205  0.16242998  0.48868147
   0.38661568  0.10539570  0.87695528
   0.19338497  0.39820136  0.59952915
   0.38871588  0.39306236  0.75676962
   0.18207766  0.71447998  0.00682089
   0.39654899  0.61357815  0.36423598
   0.12434204  0.96340345  0.14185190
   0.35658981  0.88025630  0.27158922
   0.13303815  0.63328506  0.48416776
   0.38147423  0.70297202  0.82285968
   0.06978864  0.89611453  0.58685376
   0.38260301  0.93651203  0.67095168
   0.62510238  0.11944383  1.00950115
   0.83316758  0.17992687  0.33906370
   0.59795946  0.41114926  0.08147480
   0.90428548  0.39831239  0.17239779
   0.64310296  0.20219329  0.49388882
   0.90092690  0.11877877  0.87648553
   0.64059243  0.47319970  0.63277981
   0.81099533  0.40162935  0.79190966
   0.59929220  0.69033309 -0.02467261
   0.92517482  0.58564723  0.35250434
   0.60805487  0.90428956  0.15576508
   0.85797489  0.87536321  0.25357637
   0.66390061  0.67000639  0.45818621
   0.90803206  0.65123029  0.88950079
   0.69571066  0.89355503  0.60550249
   0.87981578  0.88336181  0.75921316
   0.16113857  0.11409851  0.10257483
   0.40575861  0.20154774  0.30653143
   0.18693049  0.35205936  0.01113712
   0.40132044  0.46531229  0.32777814
   0.51167432  0.37434130  0.17444631
   0.24636626  0.38165015  0.19717763
   0.20871154  0.10281839  0.43777302
  -0.04045275  0.21183302  0.40383745
  -0.00168143  0.03498744  0.54404674
   0.44865542  0.28124032  0.84919930
   0.07001802  0.28079876  0.56495353
   0.36516741  0.53273075  0.81286327
   0.50840904  0.37139091  0.68286036
   0.23334085  0.37557593  0.71330823
   0.23653654  0.13172734 -0.08271122
  -0.01352502  0.16614668  0.97096461
   0.25486160  0.59842516  0.07426785
   0.34378327  0.71570419  0.28296007
   0.17769785  0.84900240  0.06600327
   0.43472281  0.95290591  0.36650441
   0.44865781  0.92667569  0.18725702
   0.21119689  0.95139797  0.24163101
   0.29672278  0.65277560  0.46045744
   0.07307317  0.54641645  0.38915378
   0.30947505  0.36283401  0.52165078
   0.33449661  0.78091827  0.73322187
   0.04558955  0.78403905  0.49873839
   0.38495135  1.02783003  0.78206328
   0.53142649  0.89329576  0.62285186
   0.23402363  0.91247818  0.59101988
   0.27904489  0.74080901 -0.08697704
   0.02800863  0.67499344  0.96432176
   0.66912382  0.05165022  0.10670130
   0.83710135  0.24083913  0.22546207
   0.58771907  0.28968543  0.00107752
   0.88086597  0.46547968  0.27487594
   0.02214492  0.50777574  0.13623508
   0.75053482  0.44616690  0.11000356
   0.68918387  0.22968917  0.37970447
   0.47894588  0.15236968  0.47851181
   0.72443374  0.05364340  0.52803991
   0.87328876  0.24857815  0.80980784
   0.67345265  0.33447791  0.55228699
   0.94039116  0.49932059  0.83755270
   1.11520430  0.54610466  0.58308638
   0.80071343  0.43575946  0.67960440
   0.74611712  0.10139798  0.93257894
   0.48654114  0.04943914  0.96384168
   0.53105017  0.55137630  0.02640273
   0.93311249  0.74331787  0.29853510
   0.60026785  0.80818519  0.05681613
   0.84212815  1.01520060  0.32231332
   0.96816554  0.93281455  0.16644838
   0.71195595  0.82245285  0.22096849
   0.81230378  0.59837106  0.43223342
   0.55963495  0.64891525  0.37056360
   0.60819228  0.57054664  0.54391275
   0.82885942  0.76148016  0.82490264
   0.68739504  0.82565350  0.48984752
   0.96297930  0.98314643  0.82870597
   0.99445633  0.83354032  0.67345698
   0.76043964  0.98060635  0.69901107
   0.76544118  0.63150769  0.96895779
   0.53355733  0.73070085  0.87406294
   0.75364792  0.76770492  0.65499080
   0.85110726  1.07227975  0.54967581
   0.97642545  0.28712887  0.11618146
   0.85994199  1.16571115  0.18504401
   0.39524335  0.08954778  0.62930626
   0.39195048  0.28622048  0.53201928
   0.49566024  1.31187901 -0.08830182
  -0.21710607  1.58084585  0.03083600
   0.67569111  0.42096751  0.82995701
   0.61968395  0.57943511  0.70565475
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805517    0.216571   -0.066215
    -0.000000    9.651808    0.050025
    -0.000000    0.000000   14.018599
   Si   O    H 
    32    64    10
Direct configuration=  3576
   0.14079849  0.19046445  0.00522070
   0.36667205  0.10175873  0.39849730
   0.17401261  0.45385446  0.10651749
   0.39089958  0.34627724  0.25440799
   0.07047116  0.16309913  0.48881514
   0.38749330  0.10481389  0.87704676
   0.19279256  0.39938661  0.59991588
   0.38850608  0.39211430  0.75683912
   0.18127951  0.71404160  0.00660964
   0.39492223  0.61344028  0.36333591
   0.12440118  0.96101519  0.14076814
   0.35668634  0.87952518  0.27282511
   0.13285717  0.63382279  0.48574898
   0.38139006  0.70139032  0.82310490
   0.07081170  0.89554886  0.58742116
   0.38288324  0.93525696  0.67082526
   0.62523723  0.11894162  1.00979927
   0.83225342  0.17956279  0.33929726
   0.59843419  0.41176972  0.08225179
   0.90323645  0.39842667  0.17251593
   0.64346709  0.20378317  0.49354834
   0.89989673  0.11969212  0.87734893
   0.64026236  0.47255562  0.63257926
   0.81157727  0.40164753  0.79146573
   0.60021419  0.69059525 -0.02397325
   0.92536721  0.58630291  0.35225587
   0.60822200  0.90496165  0.15591047
   0.85925693  0.87560242  0.25411748
   0.66262255  0.67040552  0.45833039
   0.90733328  0.65066790  0.89026980
   0.69395811  0.89510556  0.60404199
   0.87944721  0.88401441  0.75899399
   0.16022443  0.11333376  0.10214530
   0.40669037  0.20059117  0.30592666
   0.18517997  0.34996150  0.01124472
   0.40128421  0.46683576  0.32704936
   0.51482165  0.37272816  0.17515178
   0.24645937  0.38201866  0.19814573
   0.20791329  0.10295553  0.43858820
  -0.04077955  0.21127939  0.40473950
  -0.00233968  0.03404115  0.54385192
   0.45026622  0.28055107  0.84873821
   0.07059486  0.27980075  0.56476325
   0.36593682  0.53339205  0.81365110
   0.50914175  0.36972251  0.68278789
   0.23195986  0.37701137  0.71393928
   0.23747333  0.13177048 -0.08222538
  -0.01318081  0.16565161  0.97169235
   0.25347358  0.59761473  0.07418170
   0.34443191  0.71526632  0.28250412
   0.17865557  0.84866767  0.06622516
   0.43452394  0.95471638  0.36447267
   0.44807232  0.92683215  0.18784230
   0.21041076  0.95266590  0.24189069
   0.29665012  0.65128498  0.45964962
   0.07315757  0.54745313  0.38816499
   0.31056070  0.36329616  0.52253311
   0.33529261  0.78256508  0.73238373
   0.04690369  0.78361050  0.49833784
   0.38553036  1.02759588  0.78162493
   0.52856852  0.89261422  0.62215811
   0.23397831  0.91296089  0.59137019
   0.27914753  0.74106830 -0.08809490
   0.02969685  0.67365388  0.96557074
   0.66867789  0.05089560  0.10771772
   0.83553811  0.24067294  0.22567454
   0.58696336  0.28979167  0.00150750
   0.88123264  0.46371702  0.27410333
   0.02388812  0.50814681  0.13615880
   0.75090181  0.44610606  0.10964191
   0.68879046  0.23027910  0.37999115
   0.48035991  0.15349748  0.47850373
   0.72491136  0.05292566  0.52720146
   0.87389157  0.24879988  0.80825351
   0.67397584  0.33345535  0.55235765
   0.93792807  0.49937475  0.83764031
   1.11581013  0.54531403  0.58363613
   0.79915806  0.43627839  0.67895705
   0.74894161  0.10100865  0.93242042
   0.48351332  0.04876322  0.96289993
   0.53226447  0.55297739  0.02769251
   0.93250862  0.74339324  0.29746613
   0.60148019  0.80691429  0.05802902
   0.84250062  1.01358800  0.32432360
   0.96832829  0.93107071  0.16636417
   0.71295072  0.82167627  0.22145342
   0.81219529  0.59875330  0.43291753
   0.55877264  0.64719583  0.37086732
   0.60612528  0.56851994  0.54303364
   0.83024140  0.75980418  0.82575140
   0.68705839  0.82609769  0.49009755
   0.96383563  0.98206263  0.82903531
   0.99564914  0.83449180  0.67356356
   0.76093252  0.98017450  0.69935212
   0.76489555  0.63165910  0.96906228
   0.53587770  0.72961002  0.87413315
   0.75863101  0.76687653  0.65124291
   0.84538294  1.06819121  0.54890920
   0.97669365  0.29020966  0.11125897
   0.85428194  1.15472437  0.18294583
   0.39298504  0.09360771  0.62969949
   0.38650445  0.29028515  0.52457723
   0.50145235  1.31410632 -0.08748056
  -0.21789590  1.56998592  0.03346669
   0.67727357  0.41175645  0.83258576
   0.60854341  0.57826636  0.70823404
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804553    0.217283   -0.064607
    -0.000000    9.651886    0.053096
    -0.000000    0.000000   14.017570
   Si   O    H 
    32    64    10
Direct configuration=  3577
   0.14088945  0.19131395  0.00666351
   0.36814660  0.10223761  0.39889703
   0.17344578  0.45326673  0.10639529
   0.38957622  0.34619969  0.25451499
   0.07007037  0.16449624  0.48875766
   0.38861206  0.10394478  0.87694461
   0.19186233  0.40026722  0.60015461
   0.38796873  0.39160701  0.75677173
   0.18113678  0.71400431  0.00607064
   0.39341643  0.61359796  0.36310594
   0.12494083  0.95913326  0.13988176
   0.35682608  0.87893235  0.27389303
   0.13256165  0.63405122  0.48677597
   0.38083774  0.70015472  0.82326623
   0.07206541  0.89477993  0.58781022
   0.38345099  0.93384797  0.67031468
   0.62487065  0.11897016  1.00995453
   0.83155729  0.17822800  0.33973948
   0.59854875  0.41290787  0.08312422
   0.90218493  0.39864636  0.17239608
   0.64374210  0.20454275  0.49275228
   0.89858521  0.12151835  0.87816289
   0.63963162  0.47115670  0.63234409
   0.81281877  0.40206876  0.79104059
   0.60066606  0.69069634 -0.02316377
   0.92508505  0.58693156  0.35188021
   0.60741193  0.90538669  0.15621456
   0.86054519  0.87643942  0.25436542
   0.66109394  0.67070209  0.45869335
   0.90688837  0.65000518  0.89089413
   0.69232331  0.89676775  0.60265952
   0.87878400  0.88460177  0.75850195
   0.15936305  0.11277752  0.10279753
   0.40697036  0.19942352  0.30568910
   0.18262786  0.34875692  0.01168666
   0.40135687  0.46777394  0.32655879
   0.51757183  0.37140979  0.17528972
   0.24738511  0.38276484  0.19861701
   0.20691585  0.10277340  0.43951183
  -0.04108575  0.21108912  0.40551747
  -0.00395963  0.03374035  0.54310256
   0.45156087  0.27986527  0.84856349
   0.07167533  0.27943316  0.56459255
   0.36709383  0.53426518  0.81481033
   0.50967489  0.36813143  0.68271839
   0.23036021  0.37880766  0.71460099
   0.23843037  0.13208113 -0.08191047
  -0.01328074  0.16474239  0.97174649
   0.25176400  0.59724120  0.07372952
   0.34427284  0.71493005  0.28126583
   0.18016588  0.84868950  0.06647020
   0.43413744  0.95563601  0.36334224
   0.44884774  0.92735297  0.18820661
   0.20951320  0.95293691  0.24208492
   0.29714163  0.65019583  0.45887107
   0.07336822  0.54897062  0.38747320
   0.31034900  0.36379339  0.52279494
   0.33613824  0.78453363  0.73144970
   0.04884375  0.78345979  0.49831715
   0.38615754  1.02717357  0.78040460
   0.52626208  0.89144948  0.62140726
   0.23493052  0.91339133  0.59129214
   0.27835645  0.74209374 -0.08881582
   0.03065009  0.67276472  0.96635343
   0.66829936  0.05004311  0.10925960
   0.83389024  0.23861728  0.22535483
   0.58705997  0.28951217  0.00247046
   0.88165706  0.46281445  0.27324606
   0.02508107  0.50915626  0.13588115
   0.75156277  0.44622996  0.10893671
   0.68798833  0.23118051  0.38038366
   0.48103724  0.15409414  0.47871106
   0.72639054  0.05285025  0.52661190
   0.87434631  0.24837085  0.80704840
   0.67442726  0.33245236  0.55249193
   0.93519730  0.50005747  0.83757372
   1.11698284  0.54477279  0.58374162
   0.79742530  0.43585680  0.67780615
   0.75183398  0.10163980  0.93192918
   0.48160755  0.04789509  0.96264424
   0.53408158  0.55379432  0.02911158
   0.93178841  0.74263547  0.29669980
   0.60245562  0.80558313  0.05916375
   0.84308964  1.01171678  0.32639657
   0.96778168  0.92912222  0.16651224
   0.71359278  0.82102752  0.22154234
   0.81180633  0.59920164  0.43361530
   0.55741395  0.64522724  0.37163097
   0.60380977  0.56775201  0.54213615
   0.83168003  0.75859557  0.82635926
   0.68596446  0.82770442  0.49039151
   0.96486717  0.98128429  0.82921842
   0.99650765  0.83525218  0.67385387
   0.76145901  0.98013179  0.70026067
   0.76487471  0.63056466  0.96932066
   0.53773493  0.72850548  0.87406753
   0.76342938  0.76843462  0.64565668
   0.82963182  1.06069300  0.54884633
   0.97374384  0.29609197  0.10917029
   0.84557998  1.15183837  0.18656355
   0.38700339  0.09329294  0.63281533
   0.38052981  0.29215205  0.51675153
   0.50702372  1.31336709 -0.08866367
  -0.22171641  1.56041942  0.03361266
   0.67443372  0.40411962  0.83628843
   0.59571072  0.57568395  0.71100442
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803849    0.217788   -0.063119
    -0.000000    9.651982    0.056230
    -0.000000    0.000000   14.015839
   Si   O    H 
    32    64    10
Direct configuration=  3578
   0.14137843  0.19219025  0.00767546
   0.36989594  0.10256314  0.39921584
   0.17303934  0.45266861  0.10610805
   0.38796402  0.34628628  0.25464121
   0.06948831  0.16552371  0.48829631
   0.38954745  0.10334551  0.87689794
   0.19100716  0.40054208  0.60037130
   0.38795895  0.39138692  0.75648521
   0.18146423  0.71437282  0.00523143
   0.39268354  0.61410778  0.36372219
   0.12489750  0.95800008  0.13966607
   0.35662207  0.87871405  0.27478059
   0.13204142  0.63394834  0.48719629
   0.37997325  0.69965754  0.82413939
   0.07300978  0.89418418  0.58765382
   0.38363668  0.93300820  0.67011300
   0.62454135  0.11833491  1.00924268
   0.83038870  0.17672131  0.33978887
   0.59834046  0.41382674  0.08412435
   0.90173406  0.39850437  0.17193330
   0.64395985  0.20522181  0.49197822
   0.89763101  0.12308145  0.87890998
   0.63882347  0.46995447  0.63217323
   0.81394832  0.40244724  0.79064358
   0.60078422  0.69075987 -0.02211688
   0.92391564  0.58694751  0.35139662
   0.60630168  0.90487088  0.15604367
   0.86164124  0.87693135  0.25449569
   0.65979816  0.67107374  0.45921689
   0.90683703  0.64871442  0.89208628
   0.69077314  0.89822477  0.60124693
   0.87899862  0.88540794  0.75794978
   0.15892617  0.11181106  0.10387390
   0.40691107  0.19828374  0.30568557
   0.18116079  0.34814303  0.01201061
   0.40116888  0.46774305  0.32635603
   0.51961988  0.36994700  0.17501929
   0.24763612  0.38346893  0.19942908
   0.20667329  0.10343285  0.43985258
  -0.04108445  0.21153660  0.40625350
  -0.00608711  0.03271521  0.54238961
   0.45162878  0.27937089  0.84823585
   0.07342198  0.28020693  0.56513277
   0.36784638  0.53465303  0.81603801
   0.50980990  0.36599994  0.68312536
   0.22946852  0.38040046  0.71473310
   0.23926671  0.13216088 -0.08164069
  -0.01285369  0.16360736  0.97169771
   0.24949686  0.59669568  0.07291997
   0.34400268  0.71438401  0.28007608
   0.18152626  0.84842297  0.06664843
   0.43360143  0.95618969  0.36255671
   0.44969132  0.92805328  0.18904090
   0.20769860  0.95289343  0.24238921
   0.29817930  0.64842316  0.45810209
   0.07357991  0.54985963  0.38745823
   0.30968906  0.36474346  0.52371230
   0.33733237  0.78700622  0.72983223
   0.05097067  0.78334252  0.49811346
   0.38675000  1.02650418  0.77951707
   0.52534999  0.89098110  0.62069148
   0.23534429  0.91347324  0.59155807
   0.27793945  0.74287186 -0.08929375
   0.03223129  0.67135919  0.96654710
   0.66809860  0.04928145  0.11075042
   0.83266247  0.23579593  0.22535514
   0.58715081  0.28890608  0.00341941
   0.88251283  0.46268736  0.27346153
   0.02630580  0.51002265  0.13557005
   0.75207630  0.44660179  0.10843089
   0.68679696  0.23213216  0.38008344
   0.48077355  0.15399979  0.47906330
   0.72742021  0.05393751  0.52628205
   0.87470038  0.24766832  0.80581304
   0.67605192  0.33101552  0.55253747
   0.93186437  0.50074718  0.83749651
   1.11788063  0.54456776  0.58418951
   0.79579668  0.43546006  0.67712108
   0.75450153  0.10223903  0.93122150
   0.48135155  0.04759104  0.96314641
   0.53627329  0.55359849  0.03075563
   0.93037396  0.74117504  0.29635020
   0.60306177  0.80483123  0.06046847
   0.84391705  1.00924911  0.32757295
   0.96636713  0.92803138  0.16684433
   0.71333613  0.82135037  0.22132398
   0.81195556  0.59978757  0.43406438
   0.55615988  0.64470885  0.37226136
   0.60178858  0.56738382  0.54136871
   0.83264697  0.75803819  0.82649692
   0.68525974  0.82884706  0.49066201
   0.96565086  0.98139010  0.82941588
   0.99572852  0.83622705  0.67514927
   0.76169011  0.98068630  0.70199660
   0.76577200  0.62948074  0.97010192
   0.53958067  0.72836723  0.87383502
   0.75992584  0.77151969  0.63775836
   0.81285226  1.05204956  0.54769484
   0.96984083  0.30166718  0.10636904
   0.83456157  1.15668979  0.19038313
   0.38218388  0.09089666  0.63673651
   0.37997076  0.28514696  0.51125626
   0.51528028  1.31106773 -0.09045554
  -0.22722614  1.55437158  0.02991303
   0.66985105  0.39948316  0.83960333
   0.59017324  0.57253786  0.70962954
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802848    0.218168   -0.061569
    -0.000000    9.652074    0.059481
    -0.000000    0.000000   14.013885
   Si   O    H 
    32    64    10
Direct configuration=  3579
   0.14174637  0.19293614  0.00825088
   0.37146054  0.10303104  0.39977625
   0.17284105  0.45275826  0.10598324
   0.38679882  0.34682063  0.25469235
   0.06863533  0.16614716  0.48785399
   0.39115144  0.10275261  0.87674152
   0.18967360  0.39981530  0.60044808
   0.38818743  0.39195411  0.75590633
   0.18232970  0.71462206  0.00410164
   0.39213725  0.61527237  0.36503328
   0.12525268  0.95695694  0.13975658
   0.35563872  0.87871431  0.27531461
   0.13162410  0.63364553  0.48732637
   0.37898563  0.69945073  0.82497776
   0.07423965  0.89429048  0.58705988
   0.38361771  0.93232742  0.67049003
   0.62413594  0.11767202  1.00810376
   0.82918169  0.17542877  0.33975503
   0.59766205  0.41515840  0.08494531
   0.90167033  0.39895420  0.17137418
   0.64322705  0.20578518  0.49104073
   0.89671997  0.12422706  0.87967466
   0.63829201  0.46886872  0.63248890
   0.81504633  0.40267994  0.79026174
   0.60150698  0.69082387 -0.02080676
   0.92264990  0.58762462  0.35073799
   0.60432483  0.90405135  0.15595546
   0.86346412  0.87716287  0.25452633
   0.65888971  0.67122587  0.45965908
   0.90718628  0.64733892  0.89373639
   0.68941335  0.89909769  0.59944236
   0.87875306  0.88634259  0.75687077
   0.15894299  0.11114057  0.10504448
   0.40670180  0.19757964  0.30510163
   0.18004253  0.34863654  0.01248136
   0.40128474  0.46774127  0.32615958
   0.52014066  0.36801622  0.17543543
   0.24861308  0.38454878  0.19990928
   0.20750836  0.10371645  0.44006970
  -0.04092095  0.21197936  0.40734650
  -0.00780954  0.03144487  0.54169661
   0.45070468  0.27901687  0.84811963
   0.07521261  0.28101832  0.56558735
   0.36874368  0.53411311  0.81698373
   0.50981739  0.36468382  0.68348477
   0.22906170  0.38155626  0.71464036
   0.24003265  0.13272211 -0.08150297
  -0.01280307  0.16280094  0.97221993
   0.24775860  0.59575336  0.07248328
   0.34379731  0.71407273  0.27884706
   0.18276692  0.84834926  0.06652114
   0.43309426  0.95683729  0.36228932
   0.45093484  0.92888784  0.19006037
   0.20569634  0.95313120  0.24207490
   0.29829027  0.64624941  0.45685697
   0.07447642  0.55026616  0.38735074
   0.30872338  0.36613209  0.52518603
   0.33768183  0.78917166  0.72851642
   0.05330865  0.78232987  0.49775035
   0.38691977  1.02559562  0.77823878
   0.52546126  0.89090747  0.61976132
   0.23589306  0.91355312  0.59190347
   0.27696406  0.74316424 -0.08924249
   0.03347163  0.67055604  0.96701776
   0.66706403  0.04891695  0.11188401
   0.83075726  0.23292365  0.22563421
   0.58786298  0.28787799  0.00423054
   0.88315916  0.46289811  0.27336994
   0.02748154  0.51012802  0.13495882
   0.75228833  0.44718619  0.10799056
   0.68624001  0.23284876  0.37995291
   0.48034012  0.15379618  0.47925775
   0.72672042  0.05493983  0.52624896
   0.87475412  0.24831530  0.80447490
   0.67759781  0.32994978  0.55198765
   0.92837952  0.50236068  0.83785031
   1.11860174  0.54452008  0.58443824
   0.79421726  0.43506903  0.67666858
   0.75648987  0.10237202  0.93076061
   0.48221058  0.04761713  0.96402594
   0.53882694  0.55400405  0.03203045
   0.92929463  0.73920245  0.29629207
   0.60371071  0.80390936  0.06216593
   0.84458973  1.00707816  0.32876984
   0.96572246  0.92701510  0.16704616
   0.71288866  0.82239655  0.22186985
   0.81150239  0.60049095  0.43438510
   0.55453672  0.64373762  0.37310266
   0.60008473  0.56802267  0.54056988
   0.83350309  0.75781924  0.82557107
   0.68415032  0.82980849  0.49084568
   0.96677895  0.98214690  0.82990196
   0.99427176  0.83686940  0.67699027
   0.76199840  0.98182069  0.70326582
   0.76687092  0.62790264  0.97088470
   0.54147104  0.72814748  0.87439794
   0.75589240  0.77287138  0.63068826
   0.82833874  1.04614142  0.54993442
   0.96455539  0.31041006  0.10558638
   0.82634910  1.14616404  0.18643614
   0.37771181  0.08746958  0.63907833
   0.37613797  0.28175545  0.50836539
   0.52186543  1.30882661 -0.09438362
  -0.23182568  1.55071522  0.02734282
   0.66798795  0.39959995  0.84235448
   0.58997526  0.57276292  0.70648344
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802058    0.218943   -0.060208
    -0.000000    9.652086    0.062426
    -0.000000    0.000000   14.011876
   Si   O    H 
    32    64    10
Direct configuration=  3580
   0.14115185  0.19393069  0.00851682
   0.37254803  0.10243796  0.40031720
   0.17284348  0.45218345  0.10614802
   0.38552084  0.34761125  0.25493004
   0.06754335  0.16653804  0.48683204
   0.39274399  0.10233366  0.87688639
   0.18813783  0.39849862  0.60071559
   0.38841749  0.39225437  0.75485584
   0.18345641  0.71431660  0.00291822
   0.39229992  0.61660611  0.36611755
   0.12509218  0.95627675  0.14018380
   0.35451939  0.87912189  0.27588169
   0.13162658  0.63340794  0.48755281
   0.37713969  0.69880818  0.82600630
   0.07516531  0.89432604  0.58659875
   0.38301623  0.93232359  0.67133225
   0.62341104  0.11690875  1.00682299
   0.82757905  0.17357626  0.33994945
   0.59605004  0.41652522  0.08545845
   0.90134225  0.39910299  0.17086400
   0.64248070  0.20603672  0.49047607
   0.89570487  0.12512511  0.88041901
   0.63791427  0.46838442  0.63274291
   0.81610913  0.40305165  0.78969697
   0.60252959  0.69085814 -0.01922092
   0.92072532  0.58867012  0.34990939
   0.60288275  0.90345226  0.15578341
   0.86546951  0.87776332  0.25475488
   0.65759865  0.67129756  0.45984720
   0.90784139  0.64565718  0.89502135
   0.68800185  0.90051536  0.59788424
   0.87838502  0.88757434  0.75569330
   0.15825513  0.11067103  0.10693504
   0.40605923  0.19713400  0.30444793
   0.17861184  0.34999149  0.01378684
   0.40118626  0.46708637  0.32623484
   0.52055958  0.36620212  0.17577557
   0.24963494  0.38577251  0.20022364
   0.20854824  0.10428430  0.43985783
  -0.04093141  0.21252567  0.40812206
  -0.00912284  0.03071972  0.54077517
   0.44986983  0.27905454  0.84786876
   0.07649422  0.28182871  0.56613080
   0.36995317  0.53435164  0.81784709
   0.50903996  0.36353472  0.68378801
   0.22952415  0.38236185  0.71417402
   0.24099368  0.13312030 -0.08168112
  -0.01204487  0.16218861  0.97257611
   0.24636220  0.59410665  0.07185627
   0.34328256  0.71434863  0.27810235
   0.18315326  0.84822480  0.06648825
   0.43163079  0.95709251  0.36231203
   0.45197448  0.93060423  0.19092395
   0.20440621  0.95220950  0.24146827
   0.29756251  0.64507938  0.45586682
   0.07599961  0.55123386  0.38725250
   0.30804710  0.36712768  0.52688996
   0.33853746  0.78999124  0.72787240
   0.05623327  0.78046449  0.49761642
   0.38722970  1.02454800  0.77708505
   0.52541757  0.89197996  0.61931240
   0.23654233  0.91326587  0.59268864
   0.27650192  0.74331056 -0.08912703
   0.03472402  0.67070070  0.96713192
   0.66615199  0.04946030  0.11347544
   0.82821159  0.23033452  0.22561222
   0.58858893  0.28740829  0.00499054
   0.88374436  0.46270244  0.27364257
   0.02741583  0.51029012  0.13457150
   0.75358498  0.44791793  0.10817601
   0.68735122  0.23310622  0.38027634
   0.47906208  0.15408526  0.47971503
   0.72629745  0.05630573  0.52672418
   0.87524599  0.24908419  0.80335578
   0.67828313  0.32903046  0.55149622
   0.92583231  0.50356967  0.83813541
   1.11895782  0.54416549  0.58443173
   0.79225821  0.43534533  0.67674613
   0.75727068  0.10240484  0.93028854
   0.48255233  0.04781570  0.96495982
   0.54027754  0.55436546  0.03334804
   0.92817751  0.73611860  0.29604628
   0.60349681  0.80335814  0.06360024
   0.84500122  1.00547219  0.32946763
   0.96475378  0.92625494  0.16735835
   0.71199604  0.82288435  0.22233712
   0.81143600  0.60004206  0.43491236
   0.55417422  0.64352351  0.37451579
   0.59875500  0.56855765  0.53993415
   0.83465401  0.75785365  0.82486468
   0.68353365  0.82965699  0.49109933
   0.96793707  0.98348491  0.83065400
   0.99329787  0.83797171  0.67882610
   0.76213964  0.98290710  0.70413159
   0.76814451  0.62528659  0.97191301
   0.54305080  0.72802343  0.87478140
   0.75618891  0.77225985  0.62578860
   0.84553216  1.04276384  0.54855936
   0.96300747  0.31094245  0.10241737
   0.81949387  1.14452050  0.18191889
   0.37235257  0.08448461  0.64114731
   0.36860182  0.28497402  0.51074707
   0.52576003  1.30749752 -0.10033875
  -0.23450662  1.54877472  0.02420414
   0.67234978  0.40141347  0.84239926
   0.59316963  0.57061568  0.70332005
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801210    0.219712   -0.058982
    -0.000000    9.652055    0.065312
    -0.000000    0.000000   14.009904
   Si   O    H 
    32    64    10
Direct configuration=  3581
   0.14068753  0.19478534  0.00857901
   0.37351582  0.10184165  0.40048573
   0.17304339  0.45201130  0.10639620
   0.38484393  0.34832888  0.25480581
   0.06635022  0.16623962  0.48627585
   0.39410646  0.10250936  0.87670086
   0.18660425  0.39672124  0.60066477
   0.38879161  0.39287835  0.75382822
   0.18405573  0.71409647  0.00180336
   0.39263015  0.61790940  0.36716219
   0.12545705  0.95548603  0.14039260
   0.35329519  0.87950126  0.27605626
   0.13205429  0.63267885  0.48715711
   0.37522810  0.69852953  0.82681904
   0.07558053  0.89405766  0.58633265
   0.38208781  0.93235176  0.67209167
   0.62252842  0.11586038  1.00550231
   0.82610950  0.17222510  0.34030629
   0.59464267  0.41699350  0.08610033
   0.90151504  0.39948949  0.17041816
   0.64188497  0.20567836  0.48989492
   0.89497584  0.12685914  0.88108673
   0.63733108  0.46855704  0.63305852
   0.81630353  0.40275935  0.78867961
   0.60286945  0.69076184 -0.01767259
   0.91914769  0.59021870  0.34924537
   0.60220617  0.90244120  0.15557708
   0.86791918  0.87761031  0.25473106
   0.65682785  0.67106252  0.46009939
   0.90819785  0.64369243  0.89612400
   0.68646855  0.90188659  0.59653984
   0.87794415  0.88911861  0.75437172
   0.15731189  0.11116570  0.10864131
   0.40526610  0.19747481  0.30332913
   0.17826208  0.35223324  0.01509336
   0.40101954  0.46605630  0.32651366
   0.52042834  0.36413208  0.17630914
   0.24958674  0.38682138  0.19987968
   0.20971673  0.10544964  0.44023041
  -0.04107739  0.21336984  0.40836340
  -0.00966754  0.02969707  0.53951425
   0.44904798  0.27844641  0.84782025
   0.07777276  0.28326117  0.56694865
   0.37068108  0.53424605  0.81894740
   0.50817928  0.36323694  0.68460629
   0.22986918  0.38288794  0.71417637
   0.24215168  0.13387878 -0.08193200
  -0.01168039  0.16196540  0.97287767
   0.24482263  0.59187370  0.07105257
   0.34211334  0.71544783  0.27717712
   0.18304510  0.84829743  0.06624844
   0.42991921  0.95625677  0.36256824
   0.45247594  0.93189955  0.19120159
   0.20353716  0.95071872  0.24130088
   0.29689398  0.64364192  0.45519332
   0.07674433  0.55206957  0.38705339
   0.30813378  0.36766392  0.52807946
   0.33957163  0.79059499  0.72727629
   0.05877885  0.77961984  0.49723816
   0.38748757  1.02461679  0.77625652
   0.52633035  0.89413724  0.61863186
   0.23818182  0.91339727  0.59371248
   0.27521223  0.74352911 -0.08816118
   0.03547944  0.67173696  0.96732006
   0.66497837  0.04989261  0.11506888
   0.82603769  0.22833451  0.22500803
   0.58938213  0.28656103  0.00644074
   0.88342382  0.46293945  0.27432352
   0.02577099  0.50975366  0.13455681
   0.75530245  0.44884282  0.10843109
   0.68954312  0.23402986  0.38039339
   0.47822792  0.15505035  0.48054062
   0.72568154  0.05859237  0.52759689
   0.87551355  0.24936766  0.80161121
   0.67894197  0.32807340  0.55112045
   0.92443589  0.50448190  0.83870304
   1.11838703  0.54371503  0.58448748
   0.79170267  0.43607425  0.67706065
   0.75733444  0.10217574  0.93028862
   0.48319171  0.04763095  0.96572527
   0.54132387  0.55518728  0.03426738
   0.92711340  0.73398224  0.29570150
   0.60309552  0.80239448  0.06437406
   0.84462106  1.00400769  0.33013274
   0.96336773  0.92481820  0.16779066
   0.71086336  0.82306456  0.22289689
   0.81035665  0.59902861  0.43559803
   0.55417176  0.64361745  0.37563355
   0.59678233  0.56879373  0.53918342
   0.83485559  0.75798545  0.82456370
   0.68324913  0.82977719  0.49104000
   0.96835012  0.98497712  0.83172833
   0.99288721  0.83946124  0.68040476
   0.76155716  0.98330621  0.70472655
   0.76847178  0.62300463  0.97270885
   0.54406228  0.72818448  0.87540089
   0.76138853  0.76728556  0.62338417
   0.85994272  1.04349608  0.54556005
   0.96005772  0.30182822  0.10014229
   0.81672371  1.15293222  0.17915854
   0.36814924  0.07987873  0.64065826
   0.36465023  0.29101174  0.51630280
   0.52702120  1.30707525 -0.10437979
  -0.23056329  1.54842735  0.02523583
   0.68331727  0.40678916  0.84056598
   0.60282091  0.57231937  0.70224571
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800148    0.220661   -0.057442
    -0.000000    9.651959    0.068251
    -0.000000    0.000000   14.008057
   Si   O    H 
    32    64    10
Direct configuration=  3582
   0.13982728  0.19577624  0.00864423
   0.37459017  0.10151635  0.40052219
   0.17310647  0.45178072  0.10662195
   0.38464994  0.34872631  0.25434188
   0.06562139  0.16628362  0.48598120
   0.39496503  0.10235439  0.87637527
   0.18552873  0.39426635  0.60087717
   0.38912622  0.39249829  0.75359172
   0.18523985  0.71349227  0.00106870
   0.39259309  0.61975667  0.36827664
   0.12606541  0.95455229  0.14118547
   0.35198607  0.88072039  0.27620668
   0.13297942  0.63142135  0.48650840
   0.37379010  0.69846474  0.82748744
   0.07670099  0.89353092  0.58592941
   0.38023537  0.93243594  0.67298724
   0.62215852  0.11547408  1.00400652
   0.82531164  0.17111241  0.34087146
   0.59357673  0.41763220  0.08668376
   0.90165428  0.39943497  0.17001332
   0.64083618  0.20523537  0.48971550
   0.89505761  0.12857433  0.88191870
   0.63693664  0.46819441  0.63307529
   0.81658934  0.40341018  0.78801386
   0.60260853  0.69092059 -0.01629955
   0.91796009  0.59102277  0.34891080
   0.60188016  0.90192867  0.15503199
   0.86992470  0.87676625  0.25469425
   0.65720426  0.67070432  0.46040487
   0.90816102  0.64216611  0.89732951
   0.68509039  0.90326692  0.59540494
   0.87839181  0.89052565  0.75315085
   0.15647816  0.11206910  0.11019796
   0.40341668  0.19708578  0.30269045
   0.17731699  0.35410050  0.01646834
   0.40123507  0.46549284  0.32736137
   0.51929341  0.36163290  0.17715172
   0.24993653  0.38690542  0.19965863
   0.21118886  0.10611528  0.43992129
  -0.04166740  0.21423158  0.40833718
  -0.01033258  0.02943010  0.53818015
   0.44789265  0.27785681  0.84716443
   0.07870303  0.28495838  0.56781695
   0.37202533  0.53391436  0.82035575
   0.50817516  0.36267108  0.68508816
   0.23091962  0.38189757  0.71392135
   0.24262169  0.13458242 -0.08186354
  -0.01126019  0.16204529  0.97335062
   0.24349373  0.58992075  0.07017741
   0.34031990  0.71707089  0.27589957
   0.18333263  0.84926444  0.06593153
   0.42771534  0.95505834  0.36303826
   0.45317431  0.93320889  0.19086110
   0.20313331  0.94854358  0.24146715
   0.29572023  0.64220045  0.45507045
   0.07675409  0.55295266  0.38729292
   0.30808063  0.36870241  0.52948867
   0.34122921  0.79077562  0.72741555
   0.06122536  0.77952715  0.49686933
   0.38837376  1.02495041  0.77583418
   0.52697816  0.89635551  0.61786529
   0.23923919  0.91344769  0.59494118
   0.27432274  0.74385884 -0.08738436
   0.03593657  0.67255832  0.96722378
   0.66476874  0.05098433  0.11605446
   0.82468238  0.22649458  0.22442978
   0.58975702  0.28596500  0.00774803
   0.88276206  0.46280926  0.27462741
   0.02410758  0.50964123  0.13453595
   0.75637022  0.45081397  0.10885978
   0.69188500  0.23537307  0.38014807
   0.47839097  0.15685887  0.48117306
   0.72593412  0.06112243  0.52918928
   0.87608857  0.24918421  0.79988319
   0.68031669  0.32778418  0.55098448
   0.92311223  0.50571522  0.83973345
   1.11724994  0.54366616  0.58396097
   0.79250953  0.43684125  0.67697074
   0.75656471  0.10176768  0.93181002
   0.48472601  0.04739177  0.96679392
   0.54196084  0.55555790  0.03548448
   0.92692946  0.73276200  0.29530595
   0.60337790  0.80229023  0.06431038
   0.84396042  1.00239506  0.33004519
   0.96167786  0.92357821  0.16796131
   0.71041759  0.82355552  0.22358537
   0.80867682  0.59650759  0.43582798
   0.55479859  0.64381597  0.37610198
   0.59447998  0.56895584  0.53882557
   0.83516196  0.75736538  0.82469661
   0.68248172  0.82944157  0.49092586
   0.96883664  0.98662650  0.83209598
   0.99222382  0.84152027  0.68098970
   0.76082773  0.98335800  0.70492681
   0.76947697  0.62157497  0.97352304
   0.54515618  0.72792393  0.87620346
   0.76680047  0.76332234  0.62350846
   0.86994671  1.04823852  0.54101213
   0.95471433  0.29048698  0.09905085
   0.81357973  1.15785113  0.17559825
   0.36349004  0.07869470  0.63866236
   0.36821561  0.28974680  0.51953173
   0.52354125  1.30669087 -0.11230929
  -0.22252161  1.54613731  0.02651518
   0.69120594  0.41267277  0.83881327
   0.61239798  0.57686867  0.70449867
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798734    0.222103   -0.056170
    -0.000000    9.652094    0.070723
    -0.000000    0.000000   14.006660
   Si   O    H 
    32    64    10
Direct configuration=  3583
   0.13948610  0.19644079  0.00851014
   0.37530093  0.10164785  0.40088722
   0.17308574  0.45195816  0.10676636
   0.38498360  0.34878019  0.25365071
   0.06581682  0.16644307  0.48619725
   0.39606395  0.10234205  0.87629796
   0.18487291  0.39241413  0.60107232
   0.38906075  0.39241686  0.75315490
   0.18608692  0.71240819  0.00055499
   0.39247546  0.62147676  0.36894473
   0.12603579  0.95344903  0.14178759
   0.35068661  0.88200393  0.27605597
   0.13358683  0.63032201  0.48543199
   0.37292864  0.69835105  0.82826163
   0.07739959  0.89253635  0.58557517
   0.37804639  0.93333086  0.67363991
   0.62255104  0.11476234  1.00294792
   0.82470608  0.16971911  0.34105998
   0.59341621  0.41836932  0.08687676
   0.90152402  0.39959855  0.16952306
   0.64046419  0.20491872  0.48962716
   0.89602017  0.13010055  0.88235884
   0.63718697  0.46779938  0.63238380
   0.81632259  0.40357859  0.78761871
   0.60267379  0.69092627 -0.01583944
   0.91695891  0.59124631  0.34875057
   0.60245438  0.90140305  0.15465423
   0.87126657  0.87546952  0.25475226
   0.65805064  0.66954142  0.46064540
   0.90768737  0.64140610  0.89868235
   0.68456046  0.90406936  0.59387657
   0.87808257  0.89185059  0.75212466
   0.15579335  0.11267915  0.11134523
   0.40139821  0.19655013  0.30174784
   0.17690916  0.35575346  0.01775485
   0.40144028  0.46479215  0.32797613
   0.51742415  0.36019084  0.17771494
   0.24974475  0.38705894  0.19926671
   0.21276929  0.10650628  0.43936586
  -0.04288391  0.21438308  0.40767001
  -0.01125820  0.02891656  0.53712423
   0.44512184  0.27629392  0.84677290
   0.07962669  0.28588354  0.56853158
   0.37365350  0.53329741  0.82208619
   0.50842837  0.36260321  0.68536993
   0.23332780  0.38079844  0.71370222
   0.24372377  0.13648253 -0.08179249
  -0.01018452  0.16291921  0.97342229
   0.24359508  0.58886630  0.06973239
   0.33898686  0.71778460  0.27461636
   0.18387654  0.84914569  0.06612108
   0.42645387  0.95354415  0.36451621
   0.45383278  0.93412058  0.19026846
   0.20296468  0.94667859  0.24173826
   0.29410823  0.64097922  0.45542420
   0.07627909  0.55405340  0.38738883
   0.30774199  0.37028103  0.53063124
   0.34299891  0.78926689  0.72802711
   0.06346863  0.78033939  0.49651241
   0.38939909  1.02545311  0.77528391
   0.52773258  0.89854522  0.61713582
   0.24037843  0.91413359  0.59637637
   0.27349291  0.74476462 -0.08693893
   0.03563704  0.67354924  0.96714770
   0.66476993  0.05250003  0.11714359
   0.82378761  0.22511652  0.22356367
   0.59063784  0.28612846  0.00880751
   0.88226284  0.46218391  0.27529886
   0.02228014  0.50906418  0.13441643
   0.75773237  0.45236005  0.10874819
   0.69360509  0.23653736  0.37993999
   0.47919290  0.15843060  0.48174612
   0.72671125  0.06398277  0.53085076
   0.87688347  0.24829630  0.79863321
   0.68214145  0.32762455  0.55081201
   0.92316501  0.50701504  0.84073206
   1.11598385  0.54468647  0.58379129
   0.79383924  0.43790563  0.67716010
   0.75394793  0.10092267  0.93329357
   0.48562703  0.04607060  0.96747016
   0.54172065  0.55603372  0.03666134
   0.92726772  0.73171811  0.29504625
   0.60388529  0.80275847  0.06394146
   0.84264356  1.00057747  0.33026918
   0.96007320  0.92277030  0.16792151
   0.71052157  0.82388938  0.22403204
   0.80626166  0.59476236  0.43611038
   0.55601683  0.64437785  0.37632218
   0.59231837  0.56915238  0.53800704
   0.83602175  0.75667203  0.82414930
   0.68117566  0.82900349  0.48991816
   0.96866196  0.98813813  0.83240253
   0.99216045  0.84325619  0.68078643
   0.75992519  0.98355925  0.70425372
   0.77109045  0.62099893  0.97420039
   0.54592017  0.72724759  0.87745391
   0.77118226  0.76291203  0.62373780
   0.87619125  1.05326958  0.53661544
   0.94972756  0.28225631  0.09989101
   0.80912248  1.15812624  0.16936914
   0.36286673  0.08131410  0.63381998
   0.37756322  0.28196427  0.52295380
   0.52401651  1.30949890 -0.11664559
  -0.21358936  1.54697156  0.02849625
   0.68987514  0.42213962  0.83754382
   0.61689450  0.58172996  0.70822983
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797708    0.223639   -0.054527
    -0.000000    9.652435    0.073123
    -0.000000    0.000000   14.005245
   Si   O    H 
    32    64    10
Direct configuration=  3584
   0.13966244  0.19702986  0.00805989
   0.37558850  0.10209347  0.40070502
   0.17347582  0.45257333  0.10741121
   0.38574725  0.34870821  0.25292609
   0.06656065  0.16746293  0.48638602
   0.39671904  0.10216749  0.87635075
   0.18445799  0.39110303  0.60182942
   0.38798675  0.39243865  0.75296236
   0.18730002  0.71159552  0.00063622
   0.39326832  0.62318231  0.36950617
   0.12527122  0.95207933  0.14258038
   0.34966538  0.88292348  0.27579517
   0.13435231  0.62880532  0.48411773
   0.37232959  0.69920165  0.82873869
   0.07848926  0.89113287  0.58574999
   0.37648603  0.93357636  0.67400200
   0.62304955  0.11415805  1.00264998
   0.82416391  0.16781457  0.34116436
   0.59333200  0.41835405  0.08685479
   0.90139563  0.39923393  0.16931203
   0.64038157  0.20389710  0.48998454
   0.89709373  0.13120947  0.88217616
   0.63779947  0.46749985  0.63163877
   0.81598015  0.40374009  0.78758426
   0.60260470  0.69100501 -0.01541221
   0.91606050  0.59128649  0.34835352
   0.60326454  0.90159745  0.15451485
   0.87202127  0.87400915  0.25502325
   0.65886459  0.66841936  0.46125018
   0.90658224  0.64139473  0.89950258
   0.68399946  0.90495273  0.59217657
   0.87781696  0.89344899  0.75138997
   0.15452512  0.11343950  0.11198969
   0.39936800  0.19593304  0.30127543
   0.17654778  0.35646516  0.01894914
   0.40180644  0.46359622  0.32849731
   0.51596212  0.35855528  0.17813195
   0.24912324  0.38699791  0.19857554
   0.21341232  0.10746516  0.43861450
  -0.04274809  0.21491074  0.40708456
  -0.01239363  0.02854958  0.53655791
   0.44267858  0.27439289  0.84686868
   0.08069342  0.28575267  0.56929660
   0.37454541  0.53167788  0.82366646
   0.50899570  0.36166415  0.68544849
   0.23494878  0.37903595  0.71395503
   0.24488382  0.13850760 -0.08051904
  -0.00906331  0.16341528  0.97324191
   0.24432422  0.58846865  0.06912732
   0.33716682  0.71822083  0.27363875
   0.18430866  0.84949109  0.06621225
   0.42524940  0.95276091  0.36601843
   0.45388454  0.93537608  0.18999483
   0.20259657  0.94489591  0.24218087
   0.29256742  0.63981487  0.45628213
   0.07487769  0.55533689  0.38762644
   0.30873207  0.37170675  0.53180843
   0.34455550  0.78756303  0.72890676
   0.06539332  0.78185748  0.49595539
   0.39139466  1.02674119  0.77478111
   0.52906249  0.90026369  0.61679596
   0.24138863  0.91460833  0.59813730
   0.27250196  0.74569748 -0.08675684
   0.03511721  0.67488604  0.96671390
   0.66435111  0.05442952  0.11763459
   0.82385081  0.22247338  0.22307470
   0.59128348  0.28551248  0.01035282
   0.88210165  0.46219670  0.27650084
   0.02063615  0.50893288  0.13435392
   0.75893320  0.45306661  0.10822200
   0.69368268  0.23787586  0.38046027
   0.48069407  0.16030094  0.48239008
   0.72704441  0.06683144  0.53217830
   0.87784230  0.24689062  0.79756431
   0.68342227  0.32806285  0.55085927
   0.92296471  0.50769072  0.84142474
   1.11542299  0.54559668  0.58379300
   0.79536899  0.43948509  0.67760731
   0.75084441  0.09938764  0.93417107
   0.48726366  0.04431899  0.96755359
   0.54094471  0.55665603  0.03765765
   0.92803989  0.73147123  0.29517410
   0.60447978  0.80283603  0.06313418
   0.84180540  0.99979856  0.33041101
   0.95914771  0.92160739  0.16771753
   0.71098761  0.82418598  0.22510442
   0.80502091  0.59314167  0.43642234
   0.55661622  0.64570550  0.37541423
   0.59082612  0.56875684  0.53755923
   0.83675197  0.75665337  0.82356056
   0.68069707  0.82921970  0.48900019
   0.96805985  0.99051021  0.83199675
   0.99247461  0.84408790  0.68035056
   0.75815470  0.98362758  0.70294011
   0.77228000  0.62073681  0.97463883
   0.54615133  0.72608396  0.87886684
   0.77251263  0.77269067  0.62314332
   0.88087315  1.05515248  0.53291534
   0.94117960  0.27984847  0.10480595
   0.80431785  1.15822461  0.16541872
   0.36466594  0.08610302  0.62862071
   0.37901388  0.27911534  0.52719385
   0.52714829  1.31572898 -0.11860869
  -0.20623913  1.54962926  0.03262725
   0.68507903  0.43083113  0.83771951
   0.61660151  0.58377864  0.71106538
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797059    0.225536   -0.053276
    -0.000000    9.652952    0.075797
    -0.000000    0.000000   14.003956
   Si   O    H 
    32    64    10
Direct configuration=  3585
   0.14044395  0.19758745  0.00764046
   0.37561096  0.10349663  0.40016046
   0.17316807  0.45367102  0.10800565
   0.38651946  0.34844781  0.25257371
   0.06736992  0.16865390  0.48627847
   0.39706702  0.10155356  0.87669302
   0.18431296  0.38981364  0.60228559
   0.38703759  0.39352682  0.75338411
   0.18794810  0.71129097  0.00070955
   0.39393082  0.62421353  0.36924780
   0.12443230  0.95069934  0.14304983
   0.34873285  0.88396607  0.27514890
   0.13529956  0.62769534  0.48308234
   0.37152944  0.70068473  0.82909988
   0.07959369  0.88920393  0.58562774
   0.37511433  0.93402938  0.67386424
   0.62369116  0.11489798  1.00259019
   0.82454410  0.16537784  0.34104388
   0.59326611  0.41822077  0.08719582
   0.90151782  0.39862301  0.16873455
   0.64069903  0.20290720  0.49035142
   0.89842320  0.13192087  0.88171071
   0.63838231  0.46749199  0.63112758
   0.81531955  0.40337456  0.78741479
   0.60287508  0.69038117 -0.01534772
   0.91508199  0.59064305  0.34784308
   0.60394918  0.90218662  0.15437492
   0.87206251  0.87273295  0.25535407
   0.65957032  0.66741240  0.46213590
   0.90595872  0.64171763  0.89983403
   0.68373314  0.90659835  0.59073481
   0.87804771  0.89437528  0.75142777
   0.15283168  0.11470229  0.11254371
   0.39777482  0.19547715  0.30065761
   0.17547984  0.35550855  0.01984029
   0.40312789  0.46226855  0.32928394
   0.51629867  0.35677244  0.17836319
   0.24922626  0.38708767  0.19745150
   0.21342095  0.10790017  0.43773737
  -0.04216186  0.21555408  0.40699785
  -0.01329201  0.02812376  0.53653173
   0.43928845  0.27342044  0.84714527
   0.08176153  0.28410834  0.56966863
   0.37495918  0.52994038  0.82481908
   0.50946465  0.36076447  0.68578537
   0.23621968  0.37714670  0.71431868
   0.24599845  0.13980429 -0.07907321
  -0.00894053  0.16393249  0.97309751
   0.24507074  0.58852504  0.06858069
   0.33535320  0.71842352  0.27328592
   0.18461591  0.85012720  0.06671572
   0.42358882  0.95227711  0.36743155
   0.45269191  0.93655828  0.18982845
   0.20205193  0.94318372  0.24307231
   0.29135701  0.63899282  0.45698100
   0.07389900  0.55595853  0.38785144
   0.31066693  0.37166481  0.53263226
   0.34582829  0.78621520  0.72887806
   0.06730823  0.78292366  0.49511012
   0.39308530  1.02815253  0.77450593
   0.52978434  0.90140682  0.61722267
   0.24135825  0.91597437  0.59933312
   0.27172742  0.74598820 -0.08720164
   0.03375650  0.67648663  0.96624080
   0.66422659  0.05615429  0.11751986
   0.82393966  0.22003373  0.22278965
   0.59205934  0.28467756  0.01130364
   0.88177201  0.46247684  0.27842048
   0.01880856  0.50957117  0.13462332
   0.75972565  0.45336159  0.10728718
   0.69288179  0.23939210  0.38107092
   0.48087358  0.16246518  0.48263884
   0.72701951  0.06908196  0.53287113
   0.87875523  0.24531984  0.79693240
   0.68415572  0.32922698  0.55057234
   0.92288790  0.50727058  0.84158941
   1.11494203  0.54621305  0.58347939
   0.79765782  0.44078611  0.67778606
   0.74757598  0.09823015  0.93464595
   0.48899389  0.04341222  0.96774567
   0.53935612  0.55799525  0.03881204
   0.92924177  0.73129740  0.29523098
   0.60523901  0.80303291  0.06155691
   0.84195075  0.99878205  0.33050006
   0.95917587  0.92029765  0.16730212
   0.71167171  0.82517672  0.22589969
   0.80376264  0.59179217  0.43643676
   0.55692560  0.64606009  0.37456249
   0.58948759  0.56835137  0.53715967
   0.83626336  0.75592992  0.82292508
   0.68119590  0.82918374  0.48808011
   0.96732439  0.99292613  0.83136881
   0.99304154  0.84558375  0.67987933
   0.75590567  0.98370750  0.70177014
   0.77241355  0.62004117  0.97526198
   0.54631079  0.72529970  0.87980121
   0.76891109  0.78495146  0.62123710
   0.87641637  1.05224887  0.53104584
   0.93218844  0.28312666  0.11310221
   0.79436249  1.15911832  0.16604482
   0.36697018  0.09058366  0.62581582
   0.37341314  0.28745192  0.53170070
   0.53101089  1.32197267 -0.11874262
  -0.20756667  1.55506311  0.03673315
   0.67972581  0.43780486  0.83715693
   0.61222410  0.58444301  0.70887309
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796299    0.227331   -0.052128
    -0.000000    9.653337    0.078512
    -0.000000    0.000000   14.003108
   Si   O    H 
    32    64    10
Direct configuration=  3586
   0.14106540  0.19740200  0.00764944
   0.37533855  0.10508916  0.39966802
   0.17246007  0.45538579  0.10894543
   0.38761112  0.34842580  0.25214209
   0.06845773  0.17004403  0.48633548
   0.39685089  0.10102970  0.87737187
   0.18425666  0.38963056  0.60290547
   0.38634948  0.39486295  0.75393907
   0.18806876  0.71105116  0.00107687
   0.39405487  0.62518426  0.36870225
   0.12396472  0.94931656  0.14386604
   0.34803499  0.88520787  0.27423360
   0.13584039  0.62665842  0.48244654
   0.37141987  0.70175361  0.82914875
   0.08112837  0.88690415  0.58500769
   0.37476018  0.93387234  0.67332983
   0.62425686  0.11561412  1.00350620
   0.82532033  0.16341196  0.34066395
   0.59396455  0.41825723  0.08758387
   0.90107706  0.39879821  0.16882710
   0.64109256  0.20245448  0.49062826
   0.89967286  0.13265919  0.88115603
   0.63882739  0.46739875  0.63003474
   0.81496695  0.40371440  0.78760018
   0.60312910  0.68920534 -0.01609006
   0.91476645  0.59007714  0.34763450
   0.60452410  0.90257375  0.15380576
   0.87156503  0.87142586  0.25587841
   0.66027310  0.66687391  0.46278709
   0.90494230  0.64191536  0.89981806
   0.68413325  0.90841143  0.58984847
   0.87795192  0.89454429  0.75159288
   0.15175262  0.11565283  0.11287625
   0.39551307  0.19521336  0.30021718
   0.17476449  0.35450269  0.02037802
   0.40436974  0.46146033  0.33059230
   0.51634896  0.35536876  0.17806465
   0.24934229  0.38645571  0.19667872
   0.21312627  0.10776262  0.43708480
  -0.04237271  0.21596521  0.40639381
  -0.01297846  0.02735699  0.53637019
   0.43740367  0.27286335  0.84725540
   0.08200706  0.28175678  0.56970898
   0.37545639  0.52868287  0.82539647
   0.50977089  0.35974332  0.68613331
   0.23782851  0.37529932  0.71488707
   0.24701762  0.14086003 -0.07756139
  -0.00885738  0.16354730  0.97278337
   0.24587936  0.58859253  0.06770035
   0.33435490  0.71862711  0.27372990
   0.18483319  0.85067022  0.06692451
   0.42175307  0.95145345  0.36880819
   0.45174677  0.93790422  0.18923852
   0.20241590  0.94116846  0.24460429
   0.29127195  0.63820030  0.45788272
   0.07331326  0.55712817  0.38836830
   0.31238076  0.37149800  0.53283401
   0.34659020  0.78511235  0.72878355
   0.06935716  0.78478381  0.49408417
   0.39473687  1.02928364  0.77427938
   0.52946183  0.90255661  0.61789054
   0.24154473  0.91688581  0.59991656
   0.27092325  0.74628144 -0.08799389
   0.03160957  0.67735354  0.96554176
   0.66474665  0.05747219  0.11693710
   0.82438665  0.21683462  0.22275033
   0.59347122  0.28441501  0.01219105
   0.88206462  0.46236480  0.27997931
   0.01773740  0.50988560  0.13480290
   0.76046251  0.45423997  0.10606320
   0.69108890  0.24166603  0.38230076
   0.48030378  0.16478847  0.48319264
   0.72662708  0.07065441  0.53358647
   0.88020386  0.24404986  0.79643597
   0.68515236  0.33082069  0.54995042
   0.92276044  0.50531387  0.84174075
   1.11466888  0.54571896  0.58307043
   0.79963923  0.44118210  0.67791721
   0.74433800  0.09603459  0.93419195
   0.49065800  0.04291785  0.96732906
   0.53724136  0.55836223  0.04037037
   0.93048535  0.73233000  0.29486018
   0.60613858  0.80428019  0.06051520
   0.84145713  0.99739619  0.33063056
   0.95922282  0.91971503  0.16596015
   0.71203707  0.82581249  0.22684950
   0.80285826  0.59084766  0.43645010
   0.55733890  0.64588201  0.37441331
   0.58832106  0.56818451  0.53755079
   0.83590756  0.75509302  0.82231617
   0.68224375  0.82832662  0.48643888
   0.96605631  0.99495098  0.83074243
   0.99343195  0.84729168  0.67939238
   0.75357206  0.98457718  0.69995287
   0.77232389  0.61995594  0.97551267
   0.54561100  0.72374294  0.88006636
   0.76793928  0.79309140  0.61953319
   0.87105319  1.05164322  0.53498383
   0.93361694  0.28001451  0.11569488
   0.78531742  1.16164438  0.17145342
   0.36978830  0.09065536  0.62388951
   0.37052443  0.29763117  0.53461174
   0.52932355  1.32493416 -0.11695039
  -0.21061663  1.56183334  0.04095154
   0.67758292  0.44248559  0.84011056
   0.60717797  0.58204309  0.70396225
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794969    0.229312   -0.050807
    -0.000000    9.653688    0.081542
    -0.000000    0.000000   14.002534
   Si   O    H 
    32    64    10
Direct configuration=  3587
   0.14215975  0.19700160  0.00776698
   0.37519549  0.10645286  0.39926342
   0.17204150  0.45615039  0.10939857
   0.38917357  0.34856386  0.25189411
   0.06955422  0.17150882  0.48610911
   0.39681703  0.10053532  0.87844684
   0.18400014  0.38970952  0.60343470
   0.38529846  0.39690804  0.75490834
   0.18771080  0.71105436  0.00166386
   0.39417310  0.62586468  0.36806322
   0.12306871  0.94853005  0.14486856
   0.34784006  0.88636201  0.27328302
   0.13607037  0.62571058  0.48132934
   0.37190601  0.70275833  0.82931415
   0.08250414  0.88445740  0.58453987
   0.37516467  0.93427152  0.67300554
   0.62467349  0.11598774  1.00500726
   0.82616716  0.16128602  0.34028892
   0.59442801  0.41862071  0.08745402
   0.90005542  0.39904900  0.16919540
   0.64153514  0.20217459  0.49076987
   0.90095577  0.13310235  0.88047796
   0.63967169  0.46687309  0.62933279
   0.81468850  0.40407392  0.78749783
   0.60345087  0.68770517 -0.01686507
   0.91425157  0.58895450  0.34775938
   0.60534931  0.90308121  0.15336578
   0.87076452  0.87077952  0.25595508
   0.66118144  0.66664086  0.46326804
   0.90394305  0.64224767  0.89963356
   0.68445359  0.91054447  0.58977807
   0.87777380  0.89508599  0.75136960
   0.15010844  0.11699068  0.11313061
   0.39216508  0.19552176  0.29994912
   0.17404900  0.35349809  0.02026894
   0.40570297  0.46180942  0.33247993
   0.51614618  0.35459423  0.17820789
   0.24928347  0.38494414  0.19633884
   0.21238911  0.10760349  0.43629456
  -0.04266943  0.21712291  0.40521197
  -0.01272656  0.02642882  0.53649097
   0.43633317  0.27220883  0.84732304
   0.08179876  0.27910164  0.56962900
   0.37635493  0.52809156  0.82585180
   0.50995982  0.35900474  0.68686209
   0.23768409  0.37334427  0.71534711
   0.24898687  0.14245880 -0.07625570
  -0.00861791  0.16355836  0.97199792
   0.24644221  0.58879483  0.06697838
   0.33353806  0.71920047  0.27410607
   0.18527542  0.85020115  0.06643667
   0.41992901  0.95061958  0.36990761
   0.45018838  0.93946126  0.18868888
   0.20267812  0.94021390  0.24623856
   0.29150565  0.63787862  0.45866886
   0.07246737  0.55810380  0.38881373
   0.31293112  0.37254044  0.53297512
   0.34796528  0.78319513  0.72886353
   0.07175760  0.78684482  0.49331066
   0.39724598  1.03067221  0.77383029
   0.52819686  0.90393316  0.61895581
   0.24055729  0.91784667  0.60079628
   0.27098822  0.74736969 -0.08906399
   0.02971078  0.67825053  0.96439033
   0.66488650  0.05887317  0.11633752
   0.82521087  0.21374380  0.22355145
   0.59427994  0.28490214  0.01233214
   0.88147782  0.46201294  0.28130780
   0.01720437  0.50987011  0.13488109
   0.76180508  0.45388420  0.10490229
   0.68959157  0.24304175  0.38298769
   0.47876154  0.16698841  0.48300065
   0.72659453  0.07151417  0.53410331
   0.88065648  0.24338605  0.79640755
   0.68524542  0.33133943  0.54976484
   0.92293409  0.50253833  0.84191382
   1.11455736  0.54455327  0.58246203
   0.80163605  0.44164675  0.67811357
   0.74222578  0.09455213  0.93301787
   0.49146975  0.04267164  0.96667684
   0.53461700  0.55851384  0.04188312
   0.93250184  0.73200632  0.29475815
   0.60772416  0.80505264  0.05967429
   0.84159512  0.99656580  0.33107775
   0.95963004  0.91986074  0.16532777
   0.71202413  0.82728334  0.22711122
   0.80178219  0.59003881  0.43632495
   0.55812776  0.64599148  0.37408875
   0.58713999  0.56878754  0.53807976
   0.83555494  0.75544112  0.82169533
   0.68324448  0.82734720  0.48439254
   0.96461427  0.99667007  0.82996571
   0.99427707  0.84826967  0.67851273
   0.75145670  0.98501144  0.69864869
   0.77161976  0.61941450  0.97626009
   0.54379673  0.72262723  0.88002910
   0.77052088  0.79198091  0.62046677
   0.86702133  1.04674464  0.54180562
   0.94017973  0.27418064  0.11439805
   0.77852180  1.16103247  0.17670439
   0.37080436  0.08903377  0.62312478
   0.38063338  0.28720998  0.53657376
   0.52203366  1.32128502 -0.11732754
  -0.21385913  1.56818554  0.04304092
   0.68018107  0.44372870  0.84050942
   0.60166978  0.57550023  0.69549490
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.793261    0.231283   -0.049374
    -0.000000    9.654196    0.084622
    -0.000000    0.000000   14.002351
   Si   O    H 
    32    64    10
Direct configuration=  3588
   0.14300376  0.19662126  0.00782800
   0.37525950  0.10815785  0.39895159
   0.17128866  0.45732084  0.11006055
   0.39049474  0.34893328  0.25183275
   0.07086786  0.17243973  0.48506050
   0.39547092  0.10054874  0.87970661
   0.18430046  0.39002842  0.60438208
   0.38456333  0.39892955  0.75569201
   0.18721594  0.71119224  0.00239202
   0.39415044  0.62619565  0.36721643
   0.12241331  0.94840190  0.14543930
   0.34825647  0.88692284  0.27263242
   0.13602920  0.62476967  0.48084589
   0.37250808  0.70348286  0.82874522
   0.08340884  0.88261076  0.58391474
   0.37576651  0.93458151  0.67250186
   0.62523419  0.11620716  1.00663118
   0.82650207  0.15963722  0.33985893
   0.59514476  0.41901541  0.08700875
   0.89921621  0.39950279  0.16949216
   0.64198420  0.20203375  0.49081825
   0.90154826  0.13356876  0.87977006
   0.64044052  0.46596210  0.62850636
   0.81471533  0.40402931  0.78770057
   0.60435987  0.68615881 -0.01702867
   0.91359526  0.58818851  0.34811093
   0.60610947  0.90366126  0.15336174
   0.86970812  0.87007664  0.25599020
   0.66187612  0.66582126  0.46380576
   0.90266441  0.64289851  0.89963975
   0.68524739  0.91275628  0.59026732
   0.87786559  0.89548266  0.75163084
   0.14914725  0.11753625  0.11327971
   0.38877426  0.19583839  0.29967089
   0.17310000  0.35236651  0.02015595
   0.40644932  0.46220748  0.33424420
   0.51623190  0.35440121  0.17858596
   0.24889039  0.38263251  0.19607595
   0.21169908  0.10859188  0.43561170
  -0.04227654  0.21757965  0.40357461
  -0.01168456  0.02486102  0.53640681
   0.43689251  0.27158093  0.84738903
   0.08075415  0.27649276  0.56899326
   0.37699887  0.52718395  0.82634419
   0.51052582  0.35797602  0.68760186
   0.23852986  0.37150944  0.71590338
   0.25055200  0.14372848 -0.07462894
  -0.00834122  0.16352148  0.97164511
   0.24618978  0.58955849  0.06652574
   0.33300925  0.71970973  0.27473653
   0.18540131  0.84846236  0.06562691
   0.41796966  0.94914912  0.37058065
   0.45003549  0.94016143  0.18826824
   0.20199041  0.93886969  0.24738898
   0.29186456  0.63712256  0.45989854
   0.07162738  0.55868851  0.38902646
   0.31413520  0.37338566  0.53313134
   0.34953828  0.78152307  0.72869620
   0.07384078  0.78889633  0.49251777
   0.40028069  1.03126221  0.77295046
   0.52651351  0.90508221  0.62013914
   0.23981904  0.91891969  0.60143333
   0.27075821  0.74862629 -0.09043656
   0.02847947  0.67950286  0.96343527
   0.66561480  0.06008510  0.11601086
   0.82646317  0.21093750  0.22451822
   0.59493206  0.28621496  0.01240747
   0.88077742  0.46213055  0.28186564
   0.01668105  0.51070304  0.13436546
   0.76225844  0.45435235  0.10403538
   0.68771567  0.24500993  0.38334412
   0.47731298  0.16952991  0.48244645
   0.72662463  0.07217177  0.53479060
   0.87998457  0.24399415  0.79611986
   0.68548238  0.33156720  0.55009832
   0.92416248  0.50059882  0.84213425
   1.11398744  0.54380149  0.58180504
   0.80330637  0.44217010  0.67793856
   0.74119627  0.09330051  0.93130942
   0.49217870  0.04327519  0.96583166
   0.53263709  0.55954142  0.04306660
   0.93418806  0.73202174  0.29464592
   0.60955185  0.80574106  0.05951208
   0.84171734  0.99586065  0.33155230
   0.96072033  0.91972430  0.16460884
   0.71170920  0.82817102  0.22755607
   0.80112433  0.58921833  0.43680241
   0.55867491  0.64542290  0.37366097
   0.58583160  0.56890051  0.53867794
   0.83526895  0.75625979  0.82091632
   0.68348354  0.82718271  0.48225481
   0.96302377  0.99877281  0.82961297
   0.99513881  0.84843828  0.67708537
   0.74975675  0.98552842  0.69759766
   0.77077861  0.61871048  0.97692138
   0.54127129  0.72096618  0.88022180
   0.77187743  0.78805169  0.62164347
   0.86494768  1.04113593  0.54894625
   0.94820419  0.27152627  0.10888299
   0.77036272  1.15521479  0.17809486
   0.37393918  0.08673776  0.62524042
   0.38726190  0.28105245  0.53798268
   0.50843310  1.31176644 -0.11849849
  -0.21897611  1.57173534  0.04326157
   0.68607214  0.43537475  0.83934934
   0.59757968  0.57366726  0.69306220
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791912    0.232854   -0.048083
    -0.000000    9.654407    0.087910
    -0.000000    0.000000   14.001851
   Si   O    H 
    32    64    10
Direct configuration=  3589
   0.14387133  0.19670775  0.00790460
   0.37484918  0.10946884  0.39876728
   0.17061742  0.45842251  0.11082109
   0.39130369  0.34960850  0.25176082
   0.07212386  0.17262303  0.48420586
   0.39420598  0.10002600  0.88102834
   0.18449506  0.39026159  0.60570190
   0.38412194  0.40052917  0.75638534
   0.18647936  0.71207375  0.00251100
   0.39413114  0.62553985  0.36623159
   0.12233751  0.94917791  0.14600819
   0.34917964  0.88766212  0.27170787
   0.13508938  0.62411416  0.48080809
   0.37291160  0.70411913  0.82809610
   0.08413950  0.88096018  0.58278451
   0.37682858  0.93501262  0.67226512
   0.62653555  0.11666885  1.00845061
   0.82678099  0.15869268  0.33942448
   0.59601395  0.41937386  0.08693515
   0.89829037  0.39968596  0.16979878
   0.64261669  0.20238376  0.49044125
   0.90190919  0.13322027  0.87920615
   0.64039486  0.46520815  0.62735064
   0.81496177  0.40427926  0.78784823
   0.60452751  0.68480877 -0.01707558
   0.91252881  0.58744507  0.34848815
   0.60664551  0.90447122  0.15270531
   0.86859593  0.86974139  0.25621445
   0.66157186  0.66505658  0.46406312
   0.90122255  0.64302464  0.89944322
   0.68620302  0.91465851  0.59073298
   0.87776999  0.89552489  0.75185900
   0.14775467  0.11720682  0.11346387
   0.38560028  0.19527236  0.29954458
   0.17302525  0.35296451  0.02034319
   0.40720006  0.46233753  0.33596145
   0.51686273  0.35368177  0.17910714
   0.24857488  0.38040932  0.19600245
   0.21097220  0.11013512  0.43533466
  -0.04219691  0.21711230  0.40206043
  -0.01014743  0.02411985  0.53659106
   0.43591901  0.27059581  0.84711688
   0.07934910  0.27469631  0.56838937
   0.37807738  0.52588097  0.82668728
   0.51173249  0.35754217  0.68852986
   0.23762395  0.37096960  0.71564311
   0.25120805  0.14523643 -0.07224440
  -0.00826995  0.16281115  0.97141907
   0.24594599  0.59086078  0.06610080
   0.33264848  0.72003488  0.27544951
   0.18534604  0.84720602  0.06417449
   0.41647645  0.94790817  0.37094106
   0.45039775  0.94061266  0.18821183
   0.20064459  0.93758236  0.24784082
   0.29285190  0.63717012  0.46046830
   0.07044040  0.55882526  0.38861107
   0.31658209  0.37287625  0.53355683
   0.35137163  0.77969720  0.72889777
   0.07530554  0.79063351  0.49283787
   0.40270740  1.03146889  0.77241018
   0.52439805  0.90623817  0.62118291
   0.23823001  0.91879339  0.60153091
   0.27022356  0.75000020 -0.09150584
   0.02674988  0.68125948  0.96261256
   0.66680913  0.06072686  0.11567129
   0.82689361  0.20874589  0.22548086
   0.59459038  0.28706079  0.01256364
   0.87995784  0.46166221  0.28206067
   0.01534204  0.51199616  0.13331375
   0.76236797  0.45509640  0.10349686
   0.68664569  0.24712045  0.38279913
   0.47603350  0.17192615  0.48173994
   0.72688842  0.07264663  0.53563238
   0.87791886  0.24507490  0.79592845
   0.68524963  0.33194694  0.55070770
   0.92497886  0.49828048  0.84185989
   1.11398196  0.54348217  0.58115422
   0.80465453  0.44253284  0.67804479
   0.74148370  0.09131546  0.92962751
   0.49273242  0.04382603  0.96456330
   0.53155363  0.56122289  0.04406554
   0.93527871  0.73115253  0.29421150
   0.61152463  0.80692091  0.05902112
   0.84197260  0.99509115  0.33127364
   0.96135656  0.92007095  0.16384971
   0.71163886  0.82943325  0.22764832
   0.80127205  0.58764106  0.43729612
   0.55999905  0.64464712  0.37341265
   0.58386409  0.56897534  0.53959470
   0.83548905  0.75671628  0.82010010
   0.68363451  0.82740328  0.48071153
   0.96208417  1.00008186  0.82967325
   0.99481727  0.84859684  0.67519058
   0.74845202  0.98538378  0.69677752
   0.76930299  0.61820207  0.97770547
   0.53880639  0.71982435  0.87993041
   0.76543813  0.78003332  0.61828554
   0.87024070  1.03775315  0.55316970
   0.95253626  0.27242649  0.10643935
   0.76427694  1.14999016  0.18257545
   0.37676210  0.08531655  0.63080814
   0.38711659  0.28683722  0.53826462
   0.50333793  1.30811696 -0.11265053
  -0.22226239  1.56818845  0.04360421
   0.69126420  0.42606374  0.83718441
   0.59474639  0.57744507  0.69442534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790879    0.234220   -0.046762
    -0.000000    9.654178    0.091234
    -0.000000    0.000000   14.001229
   Si   O    H 
    32    64    10
Direct configuration=  3590
   0.14425521  0.19649164  0.00853397
   0.37383752  0.11053831  0.39845373
   0.16957194  0.45885643  0.11204049
   0.39189815  0.35043729  0.25203054
   0.07349260  0.17233686  0.48326293
   0.39286779  0.09912882  0.88235746
   0.18460086  0.39055735  0.60628523
   0.38412572  0.40096727  0.75740674
   0.18542466  0.71367778  0.00249497
   0.39423146  0.62534631  0.36538715
   0.12284287  0.95012694  0.14673547
   0.35023603  0.88829623  0.27089915
   0.13509916  0.62380007  0.48086227
   0.37349656  0.70421437  0.82742081
   0.08506746  0.88008272  0.58129346
   0.37795617  0.93568587  0.67202155
   0.62787917  0.11744869  1.01016181
   0.82696493  0.15833852  0.33907891
   0.59729390  0.41944050  0.08701184
   0.89757686  0.39934225  0.17036698
   0.64308128  0.20304695  0.49016799
   0.90163229  0.13309287  0.87944135
   0.64037671  0.46446918  0.62676453
   0.81436075  0.40510621  0.78792168
   0.60427448  0.68364453 -0.01710332
   0.91165655  0.58679371  0.34893790
   0.60737137  0.90539005  0.15179073
   0.86723447  0.86998361  0.25639075
   0.66162508  0.66444129  0.46392500
   0.89977196  0.64412382  0.89818249
   0.68671004  0.91690798  0.59119589
   0.87725522  0.89515867  0.75227906
   0.14673995  0.11665371  0.11355337
   0.38207043  0.19477186  0.29980527
   0.17362055  0.35391953  0.02052743
   0.40787570  0.46189817  0.33728441
   0.51792208  0.35274830  0.17954804
   0.24843470  0.37816997  0.19568839
   0.21109258  0.11087779  0.43443286
  -0.04196161  0.21609063  0.40056586
  -0.00990420  0.02332237  0.53670429
   0.43435907  0.26966180  0.84667095
   0.07838793  0.27378789  0.56824844
   0.37866011  0.52492759  0.82728346
   0.51261305  0.35710776  0.69019457
   0.23665331  0.36978688  0.71541126
   0.25212382  0.14659850 -0.06948736
  -0.00764798  0.16242692  0.97103332
   0.24542123  0.59135602  0.06584396
   0.33318357  0.72021082  0.27576290
   0.18535464  0.84671691  0.06308036
   0.41529337  0.94663109  0.37104938
   0.45184343  0.94071675  0.18842357
   0.19895955  0.93655307  0.24846789
   0.29528454  0.63769276  0.46091478
   0.06921508  0.55847297  0.38806355
   0.31857274  0.37304644  0.53415208
   0.35309026  0.77757079  0.72939906
   0.07727256  0.79155256  0.49286061
   0.40477699  1.03162298  0.77270032
   0.52250292  0.90749737  0.62262741
   0.23602246  0.91901266  0.60165294
   0.26983140  0.75203556 -0.09249871
   0.02521062  0.68218644  0.96266723
   0.66710089  0.06065046  0.11573023
   0.82744592  0.20734607  0.22609769
   0.59337543  0.28818372  0.01291285
   0.87908466  0.46099852  0.28221458
   0.01489718  0.51275996  0.13226053
   0.76197718  0.45568490  0.10354079
   0.68669354  0.24797109  0.38228851
   0.47445520  0.17452014  0.48126812
   0.72774565  0.07272811  0.53637472
   0.87599629  0.24599361  0.79601465
   0.68433439  0.33250585  0.55186983
   0.92463777  0.49671865  0.84172736
   1.11295796  0.54376726  0.58088262
   0.80605055  0.44296663  0.67842110
   0.74219040  0.09022121  0.92775317
   0.49241308  0.04427257  0.96371321
   0.53042796  0.56231483  0.04463179
   0.93606072  0.72975981  0.29391659
   0.61383744  0.80874527  0.05881891
   0.84260995  0.99497889  0.33099629
   0.96242858  0.92038335  0.16282763
   0.71146252  0.83150181  0.22766998
   0.80166320  0.58526830  0.43729921
   0.56127987  0.64462626  0.37320603
   0.58229515  0.56941362  0.54077292
   0.83551543  0.75695281  0.81944974
   0.68460449  0.82770407  0.47905518
   0.96174094  1.00050290  0.82976208
   0.99502912  0.84911311  0.67308660
   0.74840788  0.98460896  0.69635985
   0.76757723  0.61755490  0.97842969
   0.53590389  0.71829226  0.87975727
   0.76295096  0.77299351  0.61403632
   0.88126617  1.03670787  0.55476860
   0.95628138  0.27790811  0.10571517
   0.76282275  1.14705926  0.18572278
   0.37732833  0.08501779  0.63544310
   0.38121961  0.29545036  0.53595952
   0.50075597  1.31328933 -0.10322472
  -0.22421287  1.56182560  0.04483707
   0.69097526  0.41628519  0.83583264
   0.59557010  0.58321684  0.69710701
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789498    0.235654   -0.045732
    -0.000000    9.653634    0.094520
    -0.000000    0.000000   14.000489
   Si   O    H 
    32    64    10
Direct configuration=  3591
   0.14527755  0.19638280  0.00951884
   0.37261068  0.11138539  0.39812724
   0.16836029  0.45904097  0.11323456
   0.39324501  0.35151036  0.25271230
   0.07443084  0.17150320  0.48244368
   0.39083304  0.09868124  0.88323333
   0.18497300  0.39059849  0.60641271
   0.38459570  0.40028686  0.75838061
   0.18398558  0.71543925  0.00185943
   0.39508280  0.62539891  0.36467659
   0.12337580  0.95140487  0.14697996
   0.35127845  0.88907054  0.27026466
   0.13519614  0.62417807  0.48047129
   0.37499115  0.70359814  0.82711153
   0.08597071  0.87973591  0.58061450
   0.37907672  0.93597036  0.67182558
   0.62888619  0.11842013  1.01161215
   0.82735867  0.15850702  0.33917470
   0.59873228  0.41961425  0.08753993
   0.89636708  0.39889393  0.17090395
   0.64323423  0.20363407  0.49025237
   0.90114305  0.13266795  0.87943687
   0.64040888  0.46358900  0.62630469
   0.81403863  0.40519223  0.78800548
   0.60339308  0.68264085 -0.01753488
   0.91107005  0.58606442  0.34951105
   0.60805249  0.90608058  0.15088428
   0.86581744  0.87021281  0.25669518
   0.66096960  0.66370136  0.46378634
   0.89886640  0.64512270  0.89685481
   0.68682709  0.91890172  0.59178267
   0.87640797  0.89482766  0.75249963
   0.14613487  0.11574901  0.11425336
   0.37840227  0.19464343  0.29958206
   0.17425217  0.35421911  0.02079492
   0.40818017  0.46255920  0.33791345
   0.51934222  0.35174458  0.18013448
   0.24747507  0.37622441  0.19496522
   0.21230596  0.11076485  0.43333880
  -0.04188840  0.21514678  0.40000948
  -0.00968608  0.02281050  0.53678347
   0.43337538  0.26990407  0.84634245
   0.07749020  0.27232404  0.56847725
   0.37897025  0.52560151  0.82872760
   0.51332823  0.35730010  0.69157983
   0.23465821  0.36909820  0.71506138
   0.25375241  0.14745408 -0.06686643
  -0.00743660  0.16354677  0.97068587
   0.24450031  0.59136122  0.06573737
   0.33373028  0.72105354  0.27628242
   0.18556048  0.84732026  0.06246452
   0.41382768  0.94533715  0.37133519
   0.45251598  0.94008186  0.18833448
   0.19723443  0.93563644  0.24854943
   0.29770596  0.63871332  0.46089564
   0.06712329  0.55800339  0.38722411
   0.31982352  0.37355767  0.53474215
   0.35516411  0.77558866  0.72938618
   0.07905602  0.79238583  0.49202436
   0.40584549  1.03141982  0.77313303
   0.52108942  0.90901011  0.62393954
   0.23494957  0.91925544  0.60197517
   0.26998024  0.75361305 -0.09307523
   0.02460215  0.68359141  0.96221331
   0.66787542  0.06035938  0.11598194
   0.82791610  0.20640550  0.22632586
   0.59231251  0.28951511  0.01328666
   0.87766918  0.45951678  0.28228287
   0.01438446  0.51334758  0.13116130
   0.76170833  0.45718516  0.10391553
   0.68657097  0.24844384  0.38142394
   0.47247154  0.17625447  0.48051674
   0.72808957  0.07319028  0.53621202
   0.87438101  0.24723786  0.79656200
   0.68307592  0.33316886  0.55289921
   0.92441049  0.49536979  0.84213587
   1.11121784  0.54423011  0.58071764
   0.80651560  0.44382279  0.67845021
   0.74323465  0.08916157  0.92586036
   0.49278538  0.04455002  0.96295550
   0.52930306  0.56304073  0.04475382
   0.93686504  0.72894773  0.29326221
   0.61523392  0.81019614  0.05819004
   0.84312804  0.99446296  0.33070781
   0.96255972  0.92103168  0.16174480
   0.71132527  0.83422435  0.22747603
   0.80290007  0.58310776  0.43699399
   0.56316585  0.64580736  0.37305189
   0.58083420  0.56895769  0.54181664
   0.83503427  0.75681235  0.81899521
   0.68607501  0.82840636  0.47773026
   0.96101737  0.99995320  0.82935757
   0.99643040  0.84934036  0.67122182
   0.74815956  0.98264704  0.69610608
   0.76604238  0.61826863  0.97850051
   0.53261664  0.71671453  0.88023184
   0.75867187  0.76725124  0.61276073
   0.89478542  1.03556600  0.55618782
   0.95668569  0.28636005  0.10795351
   0.76680694  1.14800606  0.18814848
   0.37784775  0.09142656  0.63857865
   0.38231792  0.30065817  0.53409369
   0.49303279  1.31551649 -0.09782675
  -0.21932168  1.55405449  0.04360455
   0.68259978  0.40782283  0.83872623
   0.59797109  0.58034165  0.69697949
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788643    0.236965   -0.044261
    -0.000000    9.652523    0.097664
    -0.000000    0.000000   14.000533
   Si   O    H 
    32    64    10
Direct configuration=  3592
   0.14554640  0.19607111  0.01052320
   0.37150650  0.11192801  0.39806008
   0.16672555  0.45943046  0.11450722
   0.39456185  0.35228235  0.25338837
   0.07495050  0.17047116  0.48145289
   0.38924903  0.09813417  0.88329910
   0.18494071  0.39055600  0.60651662
   0.38539622  0.39945276  0.75939789
   0.18265972  0.71632396  0.00068440
   0.39583446  0.62512062  0.36414382
   0.12407305  0.95188494  0.14721129
   0.35232880  0.88980031  0.26995469
   0.13525248  0.62508869  0.48011921
   0.37660418  0.70270914  0.82692826
   0.08726967  0.87943837  0.57994323
   0.38043019  0.93658227  0.67185930
   0.62986075  0.11880168  1.01214075
   0.82780481  0.15858940  0.33960916
   0.59900074  0.41991822  0.08813205
   0.89494041  0.39922740  0.17151613
   0.64387358  0.20436915  0.49040463
   0.90018920  0.13233099  0.87958945
   0.64022224  0.46216349  0.62599739
   0.81408375  0.40520242  0.78785659
   0.60243400  0.68188573 -0.01806850
   0.91028047  0.58505163  0.34992690
   0.60821003  0.90609456  0.15022716
   0.86544626  0.87062171  0.25655346
   0.66109768  0.66265014  0.46336540
   0.89823304  0.64584800  0.89552849
   0.68634215  0.91996820  0.59264077
   0.87596933  0.89460520  0.75267091
   0.14605393  0.11504120  0.11443834
   0.37467621  0.19407796  0.29864582
   0.17428502  0.35476135  0.02118538
   0.40838604  0.46270434  0.33794954
   0.52027254  0.35003379  0.18034394
   0.24644994  0.37385686  0.19463945
   0.21302184  0.11113198  0.43263268
  -0.04161033  0.21463890  0.39962501
  -0.00899083  0.02296798  0.53677347
   0.43326052  0.26982596  0.84659851
   0.07644160  0.27060887  0.56873659
   0.37939672  0.52691276  0.82987774
   0.51416425  0.35731619  0.69206093
   0.23315730  0.36889220  0.71487231
   0.25529028  0.14790219 -0.06500480
  -0.00699319  0.16476461  0.96981311
   0.24344836  0.59161462  0.06601676
   0.33480927  0.72144083  0.27724683
   0.18535669  0.84874056  0.06229608
   0.41227472  0.94362134  0.37130580
   0.45348898  0.93965129  0.18771182
   0.19546630  0.93435944  0.24845465
   0.30040682  0.63993681  0.46043585
   0.06469233  0.55772998  0.38620930
   0.31982895  0.37511969  0.53487791
   0.35679827  0.77419389  0.72880491
   0.08077066  0.79148070  0.49069887
   0.40695435  1.03133576  0.77449492
   0.52143384  0.91058269  0.62531408
   0.23446932  0.92040719  0.60230109
   0.27014081  0.75548304 -0.09402295
   0.02459030  0.68427921  0.96159771
   0.66986771  0.05964689  0.11613575
   0.82819857  0.20594599  0.22695962
   0.59112543  0.29018396  0.01292061
   0.87616918  0.45714739  0.28155870
   0.01378689  0.51335293  0.12997282
   0.76213688  0.45810378  0.10493919
   0.68700713  0.24856516  0.38090326
   0.47027061  0.17755574  0.47968657
   0.72885283  0.07387645  0.53596507
   0.87324044  0.24826622  0.79786317
   0.68181988  0.33330614  0.55349590
   0.92391961  0.49458962  0.84301587
   1.11007793  0.54515754  0.58086530
   0.80742993  0.44553501  0.67835277
   0.74493755  0.08876848  0.92355938
   0.49401692  0.04409589  0.96270651
   0.52862008  0.56271102  0.04525564
   0.93764707  0.72840076  0.29277332
   0.61586596  0.81121437  0.05699192
   0.84400212  0.99416693  0.33088943
   0.96233141  0.92137934  0.16075322
   0.71046271  0.83628507  0.22688247
   0.80425127  0.58125409  0.43626901
   0.56350832  0.64660731  0.37256263
   0.57976681  0.56952560  0.54260033
   0.83462311  0.75696734  0.81833873
   0.68711801  0.82887396  0.47638907
   0.96072721  0.99913616  0.82869338
   0.99764351  0.84990150  0.66963837
   0.74885294  0.98073707  0.69629982
   0.76487508  0.61933236  0.97885637
   0.53028998  0.71555381  0.88070171
   0.75377928  0.76564374  0.61279121
   0.90069890  1.03802673  0.55714539
   0.95345025  0.29628457  0.11188442
   0.76981658  1.14770013  0.18931206
   0.37543752  0.09951358  0.63839039
   0.39073698  0.29408313  0.53279964
   0.48211069  1.31486636 -0.09450819
  -0.21280071  1.54655192  0.03953614
   0.67055008  0.40090688  0.84105510
   0.60228720  0.57841430  0.69726808
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.787943    0.238156   -0.042518
    -0.000000    9.651559    0.100747
    -0.000000    0.000000   14.000043
   Si   O    H 
    32    64    10
Direct configuration=  3593
   0.14609874  0.19512829  0.01134556
   0.37090326  0.11242484  0.39820900
   0.16574971  0.46024927  0.11535680
   0.39511615  0.35267255  0.25370126
   0.07517227  0.16920637  0.48047853
   0.38823792  0.09728314  0.88279236
   0.18576353  0.39052742  0.60618700
   0.38664913  0.39775934  0.76010118
   0.18135918  0.71685011 -0.00039882
   0.39699757  0.62483774  0.36372161
   0.12408591  0.95233733  0.14802891
   0.35309241  0.89029307  0.26986110
   0.13550352  0.62618741  0.47963306
   0.37826912  0.70132422  0.82663719
   0.08752662  0.87894072  0.57983608
   0.38119780  0.93677430  0.67210246
   0.63119820  0.11899085  1.01231874
   0.82860946  0.16000288  0.33985046
   0.59862717  0.42024188  0.08890944
   0.89336762  0.39979483  0.17219516
   0.64420181  0.20559870  0.49019607
   0.89855708  0.13183985  0.87967251
   0.64014246  0.46131352  0.62568800
   0.81344355  0.40523654  0.78786660
   0.60155855  0.68178514 -0.01870528
   0.90944908  0.58362765  0.35021502
   0.60823417  0.90580710  0.14953552
   0.86501137  0.87087892  0.25630819
   0.66121961  0.66156682  0.46327197
   0.89772300  0.64663393  0.89396922
   0.68581078  0.92017202  0.59363779
   0.87542974  0.89414536  0.75260267
   0.14671784  0.11506551  0.11423864
   0.37081259  0.19417943  0.29749788
   0.17354287  0.35651188  0.02152054
   0.40845939  0.46319921  0.33805135
   0.52192598  0.34776493  0.18067673
   0.24628733  0.37198348  0.19462567
   0.21291717  0.11065398  0.43275911
  -0.04077168  0.21324473  0.39885542
  -0.00780122  0.02351525  0.53653831
   0.43339266  0.27061046  0.84722038
   0.07469868  0.27056599  0.56920774
   0.37983355  0.52901787  0.83052151
   0.51456875  0.35736909  0.69209228
   0.23238495  0.36866552  0.71469498
   0.25631312  0.14810303 -0.06315899
  -0.00644698  0.16546368  0.96887013
   0.24213662  0.59196857  0.06661827
   0.33589608  0.72203279  0.27828095
   0.18527068  0.85087894  0.06241669
   0.41066547  0.94254722  0.37076857
   0.45420534  0.93870847  0.18677302
   0.19387877  0.93372258  0.24857907
   0.30344450  0.64133113  0.46000047
   0.06222494  0.55729862  0.38545485
   0.31961215  0.37699272  0.53507876
   0.35792964  0.77383565  0.72786835
   0.08187978  0.78892841  0.48883971
   0.40807748  1.03042285  0.77639246
   0.52280675  0.91302991  0.62641755
   0.23446569  0.92202556  0.60220823
   0.27073174  0.75786893 -0.09451876
   0.02451939  0.68410853  0.96090177
   0.67245086  0.05893025  0.11651816
   0.82802653  0.20599636  0.22743723
   0.59004635  0.29086144  0.01271006
   0.87575411  0.45397029  0.28094519
   0.01241658  0.51373059  0.12898396
   0.76197824  0.45931098  0.10582073
   0.68820007  0.24759810  0.38075260
   0.46929150  0.17789715  0.47853049
   0.72862404  0.07409016  0.53553900
   0.87232617  0.24936838  0.79891396
   0.68090741  0.33244430  0.55365131
   0.92343351  0.49395338  0.84389776
   1.10898149  0.54527382  0.58199891
   0.80787022  0.44810595  0.67764081
   0.74657785  0.08867260  0.92234824
   0.49585660  0.04387640  0.96270792
   0.52872243  0.56303582  0.04614544
   0.93841680  0.72884619  0.29285436
   0.61517250  0.81143075  0.05582481
   0.84440488  0.99460679  0.33142126
   0.96088117  0.92140618  0.15938375
   0.70956635  0.83746111  0.22649567
   0.80465414  0.57998254  0.43565877
   0.56326247  0.64742342  0.37176334
   0.57813241  0.56989468  0.54246047
   0.83407212  0.75820237  0.81778813
   0.68734366  0.83018566  0.47526396
   0.96050551  0.99746543  0.82768585
   0.99855116  0.85065414  0.66872012
   0.75036735  0.97763553  0.69690526
   0.76385239  0.62029217  0.97828234
   0.52793399  0.71454621  0.88110392
   0.74963052  0.76951639  0.61388474
   0.89333000  1.03977146  0.56217622
   0.95105132  0.30039666  0.11643925
   0.77044205  1.14252210  0.18485338
   0.37202816  0.10729272  0.63504497
   0.39110129  0.29190026  0.53156422
   0.47037056  1.31161080 -0.09394568
  -0.20578422  1.54459438  0.03517432
   0.66180443  0.39386943  0.84270681
   0.60536508  0.57418741  0.69688930
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.787292    0.238829   -0.040481
    -0.000000    9.650200    0.104431
    -0.000000    0.000000   13.999370
   Si   O    H 
    32    64    10
Direct configuration=  3594
   0.14534663  0.19504755  0.01249210
   0.37092147  0.11290070  0.39802635
   0.16473022  0.46043580  0.11554016
   0.39509249  0.35302571  0.25424862
   0.07441218  0.16822549  0.47932125
   0.38724379  0.09662936  0.88197223
   0.18633441  0.39031588  0.60586158
   0.38718086  0.39597771  0.76116972
   0.18001842  0.71719324 -0.00162910
   0.39786390  0.62436523  0.36364239
   0.12418325  0.95293380  0.14849547
   0.35376031  0.89017298  0.26979149
   0.13577830  0.62742830  0.47915088
   0.37992279  0.70025677  0.82655709
   0.08725672  0.87852881  0.57962087
   0.38106389  0.93650011  0.67217349
   0.63299997  0.11957168  1.01164846
   0.82942956  0.16132629  0.33974550
   0.59806801  0.42029562  0.08962376
   0.89181868  0.40034621  0.17327489
   0.64419436  0.20669626  0.48993229
   0.89693571  0.13118802  0.87971981
   0.64032430  0.46060144  0.62476202
   0.81276293  0.40466980  0.78807420
   0.60126245  0.68163948 -0.01907885
   0.90856944  0.58201994  0.35037005
   0.60802875  0.90494610  0.14875386
   0.86453102  0.87068577  0.25597977
   0.66233809  0.66057263  0.46300442
   0.89720795  0.64680585  0.89245380
   0.68537500  0.91959249  0.59487277
   0.87521483  0.89469360  0.75230406
   0.14717472  0.11467846  0.11409546
   0.36716168  0.19459561  0.29662016
   0.17226977  0.35869508  0.02177969
   0.40974477  0.46237216  0.33807617
   0.52447254  0.34632373  0.18025669
   0.24639670  0.37062560  0.19440580
   0.21286430  0.11008141  0.43277593
  -0.03981769  0.21190117  0.39799264
  -0.00657922  0.02311377  0.53622365
   0.43325118  0.27109896  0.84783257
   0.07341267  0.27081595  0.56999824
   0.37978872  0.53063441  0.83062058
   0.51364950  0.35744540  0.69212822
   0.23135369  0.36895155  0.71548210
   0.25683077  0.14762070 -0.06224869
  -0.00558154  0.16742513  0.96808443
   0.24208388  0.59209387  0.06717411
   0.33750987  0.72306000  0.27887883
   0.18525765  0.85379764  0.06250772
   0.40883768  0.94234803  0.37049475
   0.45497666  0.93834263  0.18588494
   0.19305951  0.93281235  0.24885589
   0.30625598  0.64230113  0.45927841
   0.06033492  0.55645472  0.38512184
   0.31901352  0.37890972  0.53556665
   0.35940703  0.77446945  0.72627955
   0.08318615  0.78532016  0.48588655
   0.40856640  1.03044730  0.77868207
   0.52427537  0.91429135  0.62681176
   0.23442365  0.92395403  0.60227121
   0.27138312  0.76034882 -0.09455955
   0.02520242  0.68424830  0.95963599
   0.67472177  0.05853968  0.11665049
   0.82750269  0.20597102  0.22759111
   0.58983104  0.29081323  0.01249244
   0.87475663  0.45158526  0.27968203
   0.00988644  0.51349487  0.12853183
   0.76199495  0.46039792  0.10701763
   0.68952992  0.24606756  0.38082597
   0.46905093  0.17830965  0.47724810
   0.72772594  0.07410939  0.53452492
   0.87229402  0.24933217  0.79977222
   0.67951164  0.33154333  0.55396257
   0.92336108  0.49374929  0.84455811
   1.10782721  0.54506714  0.58311190
   0.80886874  0.45078881  0.67734139
   0.74808272  0.08889988  0.92151624
   0.49859631  0.04476825  0.96281486
   0.52811341  0.56289641  0.04654392
   0.93894476  0.72977080  0.29284438
   0.61462935  0.81140653  0.05437365
   0.84466499  0.99593884  0.33222765
   0.95991542  0.92152705  0.15786861
   0.70784695  0.83914779  0.22651033
   0.80489240  0.57931569  0.43557547
   0.56300121  0.64840148  0.37094706
   0.57673548  0.57057547  0.54182137
   0.83346275  0.76015656  0.81772716
   0.68735863  0.83103025  0.47488500
   0.95970015  0.99586229  0.82625098
   0.99901836  0.85091517  0.66818737
   0.75251780  0.97440806  0.69778816
   0.76245285  0.62216737  0.97740242
   0.52557316  0.71366753  0.88142620
   0.74697100  0.77532799  0.61473816
   0.89035271  1.03989644  0.56651312
   0.95638102  0.29605308  0.11561981
   0.77588590  1.14047749  0.18161290
   0.37180419  0.11399390  0.63260485
   0.38601818  0.29654641  0.53160386
   0.46251268  1.30905731 -0.09159704
  -0.20602061  1.54434760  0.02923477
   0.65889053  0.39086394  0.84038335
   0.61138741  0.57093477  0.69885261
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.786717    0.240021   -0.039491
    -0.000000    9.649334    0.107967
    -0.000000    0.000000   13.998585
   Si   O    H 
    32    64    10
Direct configuration=  3595
   0.14395480  0.19463739  0.01393934
   0.37131134  0.11288082  0.39765870
   0.16374335  0.45997835  0.11616209
   0.39470566  0.35312599  0.25506670
   0.07377357  0.16681405  0.47824760
   0.38690342  0.09625948  0.88131407
   0.18662447  0.39047996  0.60489964
   0.38825514  0.39348248  0.76248066
   0.17938430  0.71749564 -0.00296914
   0.39960981  0.62426292  0.36332422
   0.12405056  0.95328991  0.14900150
   0.35435703  0.88934115  0.26987730
   0.13651556  0.62835758  0.47879244
   0.38201119  0.69957538  0.82655873
   0.08656391  0.87846855  0.57901332
   0.38034048  0.93643764  0.67275542
   0.63393324  0.12038941  1.01060926
   0.83035206  0.16311574  0.34022487
   0.59754969  0.42043927  0.09035339
   0.89080788  0.40096964  0.17387121
   0.64394615  0.20806373  0.48956857
   0.89472821  0.13085827  0.87993584
   0.64048154  0.46000778  0.62378152
   0.81192712  0.40417949  0.78799804
   0.60081663  0.68086973 -0.01903535
   0.90824619  0.58091278  0.35054726
   0.60810168  0.90407218  0.14815548
   0.86470964  0.87017424  0.25589813
   0.66360207  0.66015496  0.46271757
   0.89715034  0.64761851  0.89093885
   0.68589074  0.91917261  0.59523783
   0.87555493  0.89531471  0.75192772
   0.14777876  0.11444555  0.11418366
   0.36397465  0.19522293  0.29619184
   0.17102424  0.36004169  0.02194762
   0.41048961  0.46198938  0.33779412
   0.52699234  0.34420302  0.17997577
   0.24642660  0.36892441  0.19443799
   0.21220255  0.10923447  0.43318079
  -0.03924768  0.21107324  0.39733661
  -0.00491155  0.02349083  0.53603377
   0.43229636  0.27145169  0.84880771
   0.07198857  0.27058088  0.57085053
   0.37993598  0.53192252  0.83018874
   0.51185017  0.35723506  0.69191839
   0.23054807  0.36916503  0.71684860
   0.25686653  0.14723404 -0.06085777
  -0.00416140  0.16950708  0.96783094
   0.24302976  0.59238487  0.06720988
   0.33889981  0.72371530  0.27933610
   0.18516062  0.85619479  0.06305029
   0.40717712  0.94331423  0.37026519
   0.45564934  0.93804696  0.18506374
   0.19306024  0.93108272  0.24932578
   0.30896555  0.64405097  0.45846866
   0.05960739  0.55588579  0.38539229
   0.31853126  0.38035940  0.53605592
   0.36048286  0.77537292  0.72461721
   0.08465904  0.78155019  0.48347557
   0.40841318  1.03013534  0.78079654
   0.52636583  0.91478941  0.62703442
   0.23473845  0.92513917  0.60259048
   0.27130559  0.76235824 -0.09514497
   0.02572053  0.68367496  0.95813964
   0.67688771  0.05752350  0.11690823
   0.82685925  0.20580678  0.22718355
   0.58954595  0.29014161  0.01263575
   0.87350485  0.45003483  0.27862214
   0.00738686  0.51436673  0.12872440
   0.76116457  0.46079563  0.10876823
   0.69134350  0.24411227  0.38101303
   0.46873258  0.17788070  0.47604596
   0.72666568  0.07427630  0.53437192
   0.87274631  0.24902431  0.80060828
   0.67771783  0.33101494  0.55424463
   0.92272820  0.49434042  0.84539273
   1.10731302  0.54491670  0.58452495
   0.81007303  0.45370260  0.67690997
   0.74960968  0.08878136  0.92102628
   0.50088253  0.04563956  0.96307106
   0.52754690  0.56193340  0.04713270
   0.93930072  0.73090261  0.29280582
   0.61433249  0.81151575  0.05284115
   0.84458070  0.99729913  0.33317666
   0.95984535  0.92121963  0.15659156
   0.70634945  0.84137631  0.22641405
   0.80524437  0.57869769  0.43577210
   0.56228106  0.64873962  0.37019691
   0.57448381  0.57131673  0.54070924
   0.83355547  0.76169832  0.81737711
   0.68695092  0.83184458  0.47432485
   0.95868641  0.99386072  0.82516724
   0.99884727  0.85141895  0.66812255
   0.75389842  0.97149318  0.69899676
   0.76111688  0.62321325  0.97565200
   0.52415309  0.71308624  0.88151267
   0.74790702  0.77910736  0.61689482
   0.89445112  1.03866663  0.56517148
   0.96126767  0.29071302  0.11529521
   0.78470561  1.14699855  0.18066471
   0.37092287  0.11544539  0.62975256
   0.37827816  0.30377629  0.53193145
   0.45981922  1.30814969 -0.09001017
  -0.20703867  1.54952156  0.02572354
   0.66247602  0.39208684  0.83520757
   0.61605107  0.56701019  0.70156213
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.786311    0.240557   -0.037957
    -0.000000    9.649009    0.111725
    -0.000000    0.000000   13.997610
   Si   O    H 
    32    64    10
Direct configuration=  3596
   0.14295898  0.19401961  0.01505725
   0.37144208  0.11279574  0.39690577
   0.16334287  0.45994006  0.11616741
   0.39424483  0.35299614  0.25540523
   0.07313571  0.16531673  0.47774268
   0.38670865  0.09588583  0.88113913
   0.18609660  0.39063285  0.60415182
   0.38926639  0.39136836  0.76390933
   0.17913499  0.71783674 -0.00403377
   0.40148383  0.62347441  0.36272057
   0.12315464  0.95399031  0.14943118
   0.35490904  0.88861005  0.27000450
   0.13799741  0.62817596  0.47864773
   0.38402157  0.69888172  0.82629140
   0.08601784  0.87781747  0.57893163
   0.37982690  0.93696553  0.67350509
   0.63494865  0.12165825  1.00992200
   0.83115157  0.16513514  0.34102757
   0.59766112  0.42057644  0.09072256
   0.88992367  0.40113336  0.17392112
   0.64318970  0.20983511  0.48948861
   0.89291833  0.13060215  0.87996087
   0.64067384  0.45970529  0.62281563
   0.81093469  0.40400809  0.78744571
   0.59938740  0.67955823 -0.01890542
   0.90844024  0.57965955  0.35051941
   0.60816772  0.90317394  0.14752782
   0.86554326  0.86967667  0.25571425
   0.66384288  0.66040459  0.46249652
   0.89719102  0.64820708  0.88985972
   0.68678049  0.91797058  0.59514093
   0.87648995  0.89582292  0.75178912
   0.14799194  0.11418920  0.11444392
   0.36213797  0.19643061  0.29584272
   0.16998578  0.36155524  0.02209344
   0.41079965  0.46121983  0.33788556
   0.52915736  0.34224155  0.17992168
   0.24576359  0.36779811  0.19491241
   0.21172250  0.10894840  0.43350558
  -0.03805946  0.21058546  0.39743752
  -0.00440812  0.02416653  0.53626670
   0.43147572  0.27124325  0.84950719
   0.07066569  0.27022607  0.57124640
   0.37974919  0.53289574  0.82982163
   0.51038858  0.35664273  0.69216258
   0.22947068  0.36951087  0.71774683
   0.25701173  0.14647975 -0.05949058
  -0.00452471  0.17167590  0.96725646
   0.24333327  0.59275984  0.06657389
   0.34014497  0.72451788  0.27929573
   0.18508728  0.85809578  0.06316507
   0.40519478  0.94360519  0.37071450
   0.45621270  0.93725384  0.18452553
   0.19350517  0.92924788  0.25090715
   0.31116261  0.64664834  0.45748553
   0.05991392  0.55488722  0.38634630
   0.31748911  0.38206271  0.53622640
   0.36154386  0.77645551  0.72304096
   0.08639782  0.77900210  0.48201322
   0.40792898  1.02937582  0.78296614
   0.52802461  0.91501686  0.62706437
   0.23600575  0.92705677  0.60276443
   0.27161777  0.76385462 -0.09588697
   0.02635548  0.68321305  0.95638372
   0.67838096  0.05601361  0.11675554
   0.82590695  0.20567897  0.22704793
   0.58986313  0.28958801  0.01276239
   0.87253453  0.44926447  0.27806747
   0.00485452  0.51532524  0.12927159
   0.75953331  0.46092029  0.11084866
   0.69277596  0.24266881  0.38057180
   0.46882535  0.17773306  0.47495339
   0.72661033  0.07433516  0.53394569
   0.87327036  0.24865533  0.80097838
   0.67628203  0.32990256  0.55424352
   0.92234057  0.49456833  0.84614662
   1.10693565  0.54470774  0.58515665
   0.81144549  0.45619418  0.67636673
   0.75002965  0.08840410  0.92126249
   0.50262965  0.04691802  0.96394569
   0.52730236  0.56007123  0.04790496
   0.93915346  0.73185017  0.29294083
   0.61428047  0.81191605  0.05160595
   0.84482872  0.99831163  0.33457494
   0.95973496  0.92070912  0.15561098
   0.70439239  0.84238824  0.22670614
   0.80536100  0.57774621  0.43650288
   0.56048423  0.64945483  0.36961451
   0.57257431  0.57283421  0.53942413
   0.83344090  0.76301203  0.81740466
   0.68703229  0.83331371  0.47303196
   0.95854383  0.99179182  0.82427415
   0.99813451  0.85101419  0.66901256
   0.75526938  0.96974495  0.69979295
   0.76094325  0.62359711  0.97304177
   0.52316008  0.71351042  0.88167262
   0.75083722  0.78359382  0.62136249
   0.90377110  1.03857307  0.56053515
   0.95966243  0.28732004  0.11686110
   0.79277570  1.14827111  0.17865382
   0.36944041  0.11315747  0.62912528
   0.37799469  0.29994110  0.53256066
   0.46066976  1.31109613 -0.08636336
  -0.21150902  1.55549024  0.02410918
   0.66944543  0.39671092  0.82997919
   0.61846124  0.56311195  0.70290608
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.785962    0.241537   -0.036067
    -0.000000    9.648633    0.115532
    -0.000000    0.000000   13.996902
   Si   O    H 
    32    64    10
Direct configuration=  3597
   0.14240748  0.19341587  0.01594525
   0.37072385  0.11269511  0.39646464
   0.16292857  0.45948485  0.11600499
   0.39359326  0.35289158  0.25601394
   0.07251540  0.16437035  0.47762903
   0.38673471  0.09603612  0.88127118
   0.18518285  0.39091601  0.60334832
   0.38995917  0.39003894  0.76511968
   0.17906496  0.71860750 -0.00501827
   0.40368970  0.62351712  0.36199974
   0.12188919  0.95425855  0.14973019
   0.35581343  0.88761134  0.27013341
   0.14027415  0.62736982  0.47829200
   0.38505503  0.69784452  0.82576582
   0.08556406  0.87731336  0.57866831
   0.37952244  0.93730174  0.67406529
   0.63557833  0.12319804  1.00951546
   0.83186229  0.16671699  0.34168049
   0.59774758  0.42068039  0.09147329
   0.88958958  0.40117942  0.17296332
   0.64216676  0.21119324  0.48922789
   0.89166001  0.13085929  0.87985165
   0.64029390  0.46047646  0.62211462
   0.81054442  0.40387396  0.78681715
   0.59768177  0.67821898 -0.01872978
   0.90822091  0.57801452  0.34986373
   0.60805382  0.90239853  0.14628065
   0.86553059  0.86996990  0.25579528
   0.66359212  0.66129276  0.46220209
   0.89705137  0.64867542  0.88866844
   0.68737037  0.91637032  0.59470718
   0.87790426  0.89605190  0.75137691
   0.14844289  0.11373854  0.11484320
   0.36065896  0.19829239  0.29580385
   0.16942606  0.36247817  0.02224766
   0.41044761  0.45995937  0.33835027
   0.53072217  0.34068734  0.17992796
   0.24510150  0.36673550  0.19601020
   0.21231694  0.10853181  0.43399562
  -0.03642496  0.20992567  0.39753226
  -0.00378198  0.02500248  0.53659557
   0.43184626  0.27130152  0.85070474
   0.06935048  0.26899401  0.57213780
   0.38014872  0.53209813  0.82888912
   0.50915918  0.35608592  0.69245217
   0.22932069  0.37001987  0.71848070
   0.25698558  0.14518198 -0.05850772
  -0.00628215  0.17342473  0.96649805
   0.24327051  0.59401170  0.06599824
   0.34072017  0.72435240  0.27892819
   0.18449061  0.85969577  0.06353111
   0.40327206  0.94440265  0.37129227
   0.45702967  0.93584030  0.18371583
   0.19491364  0.92805117  0.25199029
   0.31244287  0.64970975  0.45706105
   0.06123669  0.55332786  0.38749655
   0.31590911  0.38301933  0.53710748
   0.36145944  0.77790615  0.72192095
   0.08832187  0.77724757  0.48074821
   0.40784697  1.02827914  0.78435781
   0.52965874  0.91602691  0.62705271
   0.23777418  0.92861144  0.60247704
   0.27253165  0.76605239 -0.09645896
   0.02597285  0.68272904  0.95467588
   0.67946061  0.05475771  0.11669035
   0.82487384  0.20697272  0.22727484
   0.59061474  0.28997504  0.01317825
   0.87204245  0.44860487  0.27812302
   0.00309457  0.51550163  0.13037383
   0.75703297  0.46134168  0.11279238
   0.69353116  0.24198974  0.38037562
   0.46936741  0.17836377  0.47474981
   0.72643630  0.07435285  0.53327245
   0.87376195  0.24895759  0.80088971
   0.67602603  0.32937327  0.55425884
   0.92148349  0.49450091  0.84672369
   1.10681339  0.54437156  0.58500471
   0.81184733  0.45869213  0.67616908
   0.74994354  0.08945306  0.92183872
   0.50360681  0.04816466  0.96460870
   0.52731570  0.55801442  0.04805248
   0.93848919  0.73277040  0.29293296
   0.61476040  0.81178963  0.05052055
   0.84549996  0.99936973  0.33572790
   0.95911725  0.91927670  0.15458913
   0.70343745  0.84384520  0.22728562
   0.80507803  0.57696469  0.43742444
   0.55869952  0.64981267  0.36905568
   0.57087735  0.57511252  0.53849726
   0.83310148  0.76313294  0.81728265
   0.68685765  0.83453470  0.47206486
   0.95818419  0.99060420  0.82345233
   0.99672733  0.84919543  0.67105847
   0.75571872  0.96923141  0.70080257
   0.76074808  0.62436766  0.97073508
   0.52250977  0.71352477  0.88131744
   0.75665972  0.78359625  0.62517508
   0.90076114  1.04210655  0.55750520
   0.95378669  0.28609478  0.11929685
   0.79827097  1.14262092  0.17056478
   0.36786228  0.11041229  0.63129260
   0.37804963  0.29462184  0.53155888
   0.46062025  1.30994548 -0.08599964
  -0.21406459  1.55790808  0.02693061
   0.67571346  0.40087849  0.82558150
   0.62190487  0.55738697  0.70017969
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.785207    0.242267   -0.034227
    -0.000000    9.648194    0.118882
    -0.000000    0.000000   13.995526
   Si   O    H 
    32    64    10
Direct configuration=  3598
   0.14213778  0.19320624  0.01653882
   0.37027161  0.11209247  0.39595043
   0.16219043  0.46006382  0.11551426
   0.39238344  0.35177343  0.25693017
   0.07165068  0.16326591  0.47767148
   0.38738315  0.09582784  0.88156863
   0.18398120  0.39114250  0.60259886
   0.39028324  0.38853019  0.76599316
   0.17931047  0.71950774 -0.00598472
   0.40542508  0.62400818  0.36174474
   0.12087222  0.95422095  0.14996537
   0.35583660  0.88648015  0.27074421
   0.14292490  0.62593525  0.47779304
   0.38556532  0.69736684  0.82491202
   0.08503568  0.87774966  0.57793906
   0.37960163  0.93803309  0.67475414
   0.63614906  0.12384691  1.00875424
   0.83300755  0.16785021  0.34197113
   0.59829335  0.42120341  0.09225474
   0.88943140  0.40123213  0.17216709
   0.64146021  0.21160430  0.48891747
   0.89058807  0.13038690  0.87944040
   0.64010868  0.46163340  0.62235670
   0.81027936  0.40296275  0.78620829
   0.59572211  0.67719481 -0.01858044
   0.90773226  0.57712174  0.34923319
   0.60855829  0.90287030  0.14532885
   0.86519590  0.86983440  0.25616925
   0.66290685  0.66195880  0.46203280
   0.89712732  0.64853332  0.88768114
   0.68790992  0.91444046  0.59436989
   0.87975745  0.89682367  0.75116052
   0.14871872  0.11348233  0.11543443
   0.35956844  0.19988887  0.29555291
   0.16832947  0.36233996  0.02230541
   0.41045214  0.45851944  0.33878202
   0.53222263  0.33997840  0.18047729
   0.24390013  0.36642967  0.19746201
   0.21230620  0.10742794  0.43457967
  -0.03413285  0.20952314  0.39762337
  -0.00241683  0.02604264  0.53678676
   0.43151090  0.27159889  0.85292700
   0.06828100  0.26693112  0.57314042
   0.38042969  0.53167433  0.82765808
   0.50862722  0.35606860  0.69229469
   0.22982087  0.36988465  0.71955684
   0.25760239  0.14396528 -0.05727625
  -0.00850839  0.17502303  0.96598974
   0.24347739  0.59569802  0.06595129
   0.34043552  0.72296177  0.27805967
   0.18387629  0.86135687  0.06387708
   0.40095560  0.94524265  0.37191099
   0.45679935  0.93454807  0.18268225
   0.19681710  0.92630574  0.25284017
   0.31315911  0.65238999  0.45696729
   0.06295590  0.55085982  0.38840547
   0.31549904  0.38384673  0.53742962
   0.36139250  0.77877238  0.72106684
   0.08954031  0.77691020  0.47985833
   0.40793873  1.02746069  0.78582038
   0.52994520  0.91655674  0.62703526
   0.23953981  0.92923431  0.60220987
   0.27342603  0.76711517 -0.09710973
   0.02518826  0.68243126  0.95343672
   0.67941349  0.05362463  0.11636998
   0.82346921  0.20869159  0.22769578
   0.59128112  0.28970091  0.01348608
   0.87152091  0.44852675  0.27905267
   0.00145925  0.51556107  0.13142101
   0.75453372  0.46145278  0.11455136
   0.69323882  0.24163086  0.38066803
   0.46942999  0.17908501  0.47467890
   0.72557039  0.07419197  0.53233142
   0.87418391  0.24883315  0.80032384
   0.67599821  0.32903456  0.55465338
   0.92013694  0.49404911  0.84727549
   1.10616500  0.54426120  0.58430525
   0.81263663  0.46110920  0.67589032
   0.74913509  0.08921421  0.92331313
   0.50496885  0.04874518  0.96545386
   0.52721785  0.55671089  0.04846743
   0.93740085  0.73317422  0.29246601
   0.61573830  0.81146381  0.04922209
   0.84639189  1.00053445  0.33623356
   0.95809627  0.91704995  0.15368784
   0.70246739  0.84581409  0.22834247
   0.80486051  0.57549526  0.43827057
   0.55761053  0.65021461  0.36906376
   0.56958969  0.57687094  0.53783842
   0.83264463  0.76281920  0.81726075
   0.68610972  0.83539542  0.47147450
   0.95782246  0.98977184  0.82287260
   0.99550435  0.84776396  0.67320901
   0.75625782  0.96945735  0.70220022
   0.76092807  0.62479642  0.96852153
   0.52320920  0.71310780  0.88149464
   0.76031689  0.77692699  0.62695403
   0.89294271  1.04474275  0.55466090
   0.94549653  0.28570351  0.11952570
   0.80463229  1.14270006  0.16728065
   0.36404632  0.10122379  0.63695147
   0.37264429  0.29505714  0.53098725
   0.45756483  1.30983471 -0.08686683
  -0.21786281  1.55995107  0.02927804
   0.67970525  0.40273002  0.82382739
   0.62366829  0.55602147  0.70172914
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.784346    0.242614   -0.032456
    -0.000000    9.647538    0.122370
    -0.000000    0.000000   13.993849
   Si   O    H 
    32    64    10
Direct configuration=  3599
   0.14185460  0.19317217  0.01688344
   0.36976123  0.11140319  0.39521283
   0.16112841  0.46114213  0.11507318
   0.39107948  0.35088877  0.25706470
   0.07134308  0.16258850  0.47819808
   0.38813902  0.09580626  0.88203975
   0.18171949  0.39070805  0.60182568
   0.38989132  0.38682861  0.76651508
   0.17949705  0.72004033 -0.00709915
   0.40623600  0.62461620  0.36163568
   0.12061990  0.95402848  0.14991250
   0.35567149  0.88607729  0.27117075
   0.14568586  0.62413226  0.47758462
   0.38583990  0.69699246  0.82408883
   0.08511231  0.87854803  0.57701583
   0.37967499  0.93848876  0.67549121
   0.63658147  0.12437749  1.00802098
   0.83401548  0.16877600  0.34194968
   0.59860560  0.42173933  0.09271723
   0.88903790  0.40071134  0.17109190
   0.64004257  0.21146589  0.48862203
   0.88950521  0.12966453  0.87878318
   0.64015053  0.46295221  0.62289833
   0.80967006  0.40291375  0.78574792
   0.59433916  0.67635113 -0.01815953
   0.90739839  0.57659079  0.34815282
   0.60919974  0.90388896  0.14461787
   0.86514040  0.86997355  0.25657599
   0.66169529  0.66257541  0.46181823
   0.89782405  0.64747247  0.88692325
   0.68803813  0.91235136  0.59420905
   0.88218154  0.89743137  0.75172975
   0.14796873  0.11418276  0.11610004
   0.35887614  0.20115577  0.29589559
   0.16796442  0.36047989  0.02224933
   0.41023853  0.45779896  0.33942737
   0.53415478  0.33971638  0.18086884
   0.24344113  0.36777157  0.19910854
   0.21233407  0.10659524  0.43511864
  -0.03248023  0.20998606  0.39792879
  -0.00118343  0.02637615  0.53738341
   0.43158358  0.27085301  0.85460623
   0.06848502  0.26520716  0.57369423
   0.38006650  0.53059618  0.82654885
   0.50839282  0.35537985  0.69226302
   0.23150675  0.36929949  0.72075872
   0.25851429  0.14217733 -0.05681943
  -0.01134998  0.17642806  0.96530070
   0.24328671  0.59728997  0.06571684
   0.33974593  0.72187908  0.27740685
   0.18240848  0.86325648  0.06402891
   0.39891592  0.94641490  0.37309582
   0.45632933  0.93301185  0.18116679
   0.19843447  0.92533557  0.25351829
   0.31357499  0.65484077  0.45675553
   0.06379966  0.54903502  0.38915837
   0.31583761  0.38428773  0.53761602
   0.36147728  0.77972958  0.72060579
   0.08965367  0.77709811  0.47992084
   0.40789943  1.02679430  0.78686208
   0.53007061  0.91638937  0.62706797
   0.24111566  0.93004009  0.60160291
   0.27430701  0.76807488 -0.09754909
   0.02466819  0.68225860  0.95231037
   0.67943776  0.05234695  0.11551708
   0.82174195  0.21086124  0.22730974
   0.59153106  0.28983684  0.01390047
   0.87072362  0.44851784  0.28015339
   0.00050097  0.51514290  0.13307649
   0.75215829  0.46223068  0.11551135
   0.69311632  0.24090964  0.38148387
   0.46921521  0.17935149  0.47434348
   0.72533291  0.07402416  0.53203302
   0.87395523  0.24860601  0.80034789
   0.67493765  0.32898342  0.55486190
   0.91929141  0.49319990  0.84781251
   1.10568245  0.54408268  0.58289154
   0.81373104  0.46285982  0.67519727
   0.74818857  0.08887066  0.92464700
   0.50562727  0.04948165  0.96532584
   0.52674805  0.55549766  0.04831545
   0.93587579  0.73260071  0.29229882
   0.61614526  0.81096998  0.04816191
   0.84730697  1.00145999  0.33708520
   0.95710693  0.91475930  0.15333004
   0.70095183  0.84827420  0.22975561
   0.80408676  0.57492940  0.43933968
   0.55772563  0.65158758  0.36849865
   0.56795423  0.57893929  0.53747744
   0.83297561  0.76236192  0.81708309
   0.68512498  0.83634130  0.47128117
   0.95814421  0.98978572  0.82268373
   0.99506835  0.84520711  0.67443434
   0.75668782  0.96985726  0.70386813
   0.76122661  0.62380566  0.96598137
   0.52531839  0.71245884  0.88162170
   0.76130431  0.77467641  0.62809849
   0.88697911  1.04959758  0.54904470
   0.94049385  0.28318396  0.11792761
   0.80954150  1.14635952  0.17102491
   0.35890478  0.09489687  0.64169418
   0.36731307  0.29922354  0.52786538
   0.45730832  1.31488748 -0.08236528
  -0.21947886  1.56448014  0.02944945
   0.67407956  0.40485933  0.82560978
   0.61908920  0.55921599  0.70067212
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.783440    0.243194   -0.030858
    -0.000000    9.647069    0.124816
    -0.000000    0.000000   13.991701
   Si   O    H 
    32    64    10
Direct configuration=  3600
   0.14150493  0.19348644  0.01680216
   0.36942659  0.11121339  0.39469810
   0.16010864  0.46119770  0.11497046
   0.38965551  0.35017280  0.25652296
   0.07168636  0.16197458  0.47886876
   0.38877894  0.09617745  0.88216485
   0.17961080  0.39002617  0.60112895
   0.38887272  0.38475753  0.76687265
   0.17966597  0.72108179 -0.00776470
   0.40583547  0.62569247  0.36165139
   0.12006259  0.95362647  0.14989564
   0.35543490  0.88622449  0.27151917
   0.14789025  0.62261215  0.47757098
   0.38545885  0.69711754  0.82332922
   0.08600951  0.87909585  0.57592681
   0.38007009  0.93966928  0.67606431
   0.63693416  0.12528488  1.00742615
   0.83504488  0.16935653  0.34185401
   0.59824292  0.42150793  0.09293458
   0.88811518  0.40002340  0.17038472
   0.63885825  0.21050029  0.48873574
   0.88883514  0.12809843  0.87835607
   0.64020898  0.46473138  0.62359374
   0.80952908  0.40261495  0.78518656
   0.59293461  0.67547512 -0.01754820
   0.90698483  0.57644450  0.34740903
   0.60951382  0.90473013  0.14384412
   0.86499970  0.87070209  0.25706047
   0.66045148  0.66313661  0.46132412
   0.89807149  0.64642864  0.88632186
   0.68833865  0.90994979  0.59365565
   0.88420702  0.89763898  0.75218010
   0.14765609  0.11509512  0.11782542
   0.35829520  0.20109297  0.29666799
   0.16716848  0.35857841  0.02239391
   0.40956498  0.45772147  0.33975865
   0.53489324  0.34036584  0.18163700
   0.24252166  0.36984568  0.20043540
   0.21229766  0.10509380  0.43545153
  -0.03008374  0.21073765  0.39882608
  -0.00101801  0.02588385  0.53760863
   0.43142686  0.27040880  0.85611719
   0.06869748  0.26476578  0.57350422
   0.37926087  0.52875162  0.82538976
   0.50829470  0.35384070  0.69193585
   0.23308915  0.36799414  0.72177638
   0.25907538  0.14089357 -0.05671060
  -0.01340030  0.17713738  0.96505731
   0.24266137  0.59790519  0.06507196
   0.33943224  0.72123039  0.27666260
   0.18114171  0.86521693  0.06386642
   0.39767135  0.94844431  0.37410471
   0.45500305  0.93149063  0.17951863
   0.19861581  0.92416692  0.25419513
   0.31363972  0.65674724  0.45628860
   0.06504302  0.54789066  0.38998825
   0.31688291  0.38504780  0.53769267
   0.36127463  0.78040357  0.72011553
   0.08911598  0.77812380  0.47966366
   0.40729544  1.02666635  0.78785534
   0.53022102  0.91559930  0.62679290
   0.24274634  0.93060228  0.60141137
   0.27442081  0.76822575 -0.09820507
   0.02373733  0.68273080  0.95074730
   0.67961525  0.05159243  0.11421126
   0.82146735  0.21310575  0.22725410
   0.59204902  0.29026362  0.01377925
   0.87024489  0.44842198  0.28135342
   0.00025189  0.51485868  0.13454583
   0.74930997  0.46367821  0.11610624
   0.69308466  0.24030130  0.38189218
   0.46884197  0.18009751  0.47389039
   0.72636313  0.07394804  0.53230912
   0.87306824  0.24850467  0.80016093
   0.67456413  0.32951408  0.55543157
   0.91864711  0.49268395  0.84789082
   1.10577329  0.54426099  0.58118146
   0.81499171  0.46464889  0.67397150
   0.74708327  0.08826990  0.92570653
   0.50598135  0.04966287  0.96472446
   0.52642535  0.55502060  0.04790821
   0.93425605  0.73148342  0.29243239
   0.61662943  0.81030896  0.04761330
   0.84788553  1.00237094  0.33814809
   0.95578107  0.91256898  0.15384644
   0.70076357  0.84932086  0.23118443
   0.80313257  0.57447337  0.44024237
   0.55905991  0.65273168  0.36831530
   0.56735901  0.58026294  0.53698357
   0.83329372  0.76192075  0.81692909
   0.68297561  0.83634696  0.47223759
   0.95832562  0.99074272  0.82337880
   0.99564066  0.84269219  0.67523321
   0.75734005  0.97051456  0.70513615
   0.76161921  0.62266460  0.96410399
   0.52757075  0.71177666  0.88120741
   0.76085607  0.77281098  0.62648114
   0.88285114  1.04742871  0.54178096
   0.93956144  0.28213088  0.11665397
   0.81245724  1.15158128  0.17750072
   0.35785267  0.09276899  0.64768924
   0.36965926  0.29547628  0.52365606
   0.45936525  1.31730820 -0.08018644
  -0.21973798  1.56646165  0.02678751
   0.66246279  0.40753647  0.82767864
   0.61200189  0.56694233  0.70100057
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.782927    0.243963   -0.029043
    -0.000000    9.646406    0.127205
    -0.000000    0.000000   13.989556
   Si   O    H 
    32    64    10
Direct configuration=  3601
   0.14109200  0.19392884  0.01610424
   0.36862460  0.11137516  0.39466152
   0.15929546  0.46094842  0.11498090
   0.38832837  0.35010666  0.25593269
   0.07169777  0.16172494  0.47975001
   0.38910866  0.09663285  0.88279240
   0.17766612  0.38938512  0.60034315
   0.38792300  0.38328780  0.76685609
   0.17952012  0.72244676 -0.00813597
   0.40464270  0.62703806  0.36182850
   0.12007657  0.95269631  0.14990443
   0.35579926  0.88655802  0.27142140
   0.14956778  0.62097907  0.47763184
   0.38515349  0.69720006  0.82296453
   0.08693074  0.88083688  0.57493803
   0.38069284  0.94165026  0.67682679
   0.63692071  0.12632440  1.00682521
   0.83546219  0.16985901  0.34201155
   0.59776637  0.42113198  0.09333724
   0.88731180  0.39947415  0.16952501
   0.63804695  0.20926807  0.48852402
   0.88828440  0.12630411  0.87769814
   0.64043746  0.46690257  0.62456901
   0.80931732  0.40221636  0.78461398
   0.59246275  0.67491398 -0.01760782
   0.90746582  0.57592180  0.34646154
   0.60946732  0.90516284  0.14354046
   0.86516225  0.87184664  0.25741684
   0.65956648  0.66446893  0.46085228
   0.89802247  0.64574093  0.88577055
   0.68865506  0.90781570  0.59320906
   0.88541240  0.89731621  0.75247725
   0.14741807  0.11661356  0.11940362
   0.35772526  0.20017833  0.29752612
   0.16597684  0.35721933  0.02288697
   0.40927542  0.45730058  0.33990406
   0.53439735  0.34082977  0.18228965
   0.24161325  0.37217695  0.20182299
   0.21236351  0.10487229  0.43531816
  -0.02758548  0.21132972  0.39962307
  -0.00149978  0.02487934  0.53726579
   0.43159862  0.27028192  0.85722056
   0.06939253  0.26391021  0.57354822
   0.37828470  0.52762696  0.82357779
   0.50882950  0.35273149  0.69133026
   0.23410032  0.36616407  0.72212087
   0.25958814  0.13928035 -0.05680211
  -0.01459765  0.17793306  0.96487066
   0.24099459  0.59909129  0.06482402
   0.34024872  0.71973999  0.27624473
   0.18032289  0.86649590  0.06330784
   0.39771000  0.95044212  0.37464356
   0.45422885  0.93080901  0.17787311
   0.19837227  0.92372556  0.25440810
   0.31305198  0.65806330  0.45623042
   0.06558214  0.54705466  0.39011244
   0.31675786  0.38558064  0.53791239
   0.36076194  0.78066900  0.72016690
   0.08895512  0.77923054  0.47999141
   0.40605375  1.02605852  0.78900476
   0.53107140  0.91449200  0.62594606
   0.24351599  0.93102225  0.60094159
   0.27415709  0.76850422 -0.09861455
   0.02374800  0.68435602  0.95011592
   0.67999111  0.05171104  0.11207162
   0.82173357  0.21617576  0.22728457
   0.59287282  0.28982507  0.01425085
   0.86986519  0.44864691  0.28284689
   0.00073411  0.51478841  0.13641614
   0.74661853  0.46557845  0.11587137
   0.69335672  0.24008641  0.38256714
   0.46971264  0.18039453  0.47363019
   0.72663296  0.07310248  0.53265881
   0.87281391  0.24849387  0.80035998
   0.67390005  0.33113986  0.55569542
   0.91732509  0.49240939  0.84818477
   1.10591638  0.54434040  0.57934708
   0.81622961  0.46609771  0.67257690
   0.74592409  0.08757041  0.92612585
   0.50580601  0.05004535  0.96407358
   0.52621810  0.55500111  0.04706781
   0.93216995  0.73068076  0.29263560
   0.61699711  0.80921262  0.04760946
   0.84887893  1.00321848  0.33960768
   0.95369410  0.91118971  0.15491409
   0.70093951  0.84930656  0.23223657
   0.80149873  0.57440498  0.44102873
   0.56060612  0.65416901  0.36788455
   0.56638829  0.58200366  0.53723092
   0.83344906  0.76181698  0.81633087
   0.68162821  0.83570267  0.47383082
   0.95863664  0.99343042  0.82455755
   0.99790935  0.84064773  0.67549117
   0.75653616  0.97205906  0.70567731
   0.76228321  0.62181226  0.96215866
   0.52969264  0.71161635  0.88053024
   0.75965001  0.77552906  0.62265361
   0.88546258  1.04120808  0.53685776
   0.94495974  0.28226226  0.11775294
   0.81225848  1.14910542  0.17795666
   0.35911071  0.09557101  0.65237077
   0.37386233  0.29500623  0.52166487
   0.46524698  1.31844652 -0.08046721
  -0.21632780  1.56664770  0.02327893
   0.65478375  0.41205948  0.83079245
   0.60388885  0.57355125  0.70271864
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.782309    0.244441   -0.027198
    -0.000000    9.645555    0.129640
    -0.000000    0.000000   13.987589
   Si   O    H 
    32    64    10
Direct configuration=  3602
   0.14047642  0.19393707  0.01559745
   0.36828170  0.11153353  0.39497334
   0.15889799  0.46017832  0.11484736
   0.38716625  0.35002022  0.25536937
   0.07202147  0.16167383  0.48058029
   0.38961971  0.09744663  0.88376264
   0.17606053  0.38886826  0.59960796
   0.38778446  0.38236754  0.76661507
   0.17967301  0.72375030 -0.00831375
   0.40355223  0.62780009  0.36194871
   0.11923518  0.95202098  0.14980475
   0.35606122  0.88647527  0.27157411
   0.15111361  0.61918422  0.47818085
   0.38456865  0.69734998  0.82282332
   0.08762392  0.88201343  0.57410058
   0.38109095  0.94352472  0.67782526
   0.63642648  0.12741400  1.00655679
   0.83599111  0.17086348  0.34241069
   0.59770103  0.42067308  0.09378281
   0.88645303  0.39911920  0.16861392
   0.63794937  0.20815866  0.48849449
   0.88809692  0.12546659  0.87700856
   0.64040203  0.46909195  0.62584446
   0.80938486  0.40193938  0.78425227
   0.59221869  0.67499950 -0.01786364
   0.90846032  0.57569719  0.34574712
   0.61006742  0.90538862  0.14298845
   0.86571367  0.87312462  0.25763598
   0.65823100  0.66656389  0.46009521
   0.89794426  0.64518604  0.88564892
   0.68937557  0.90598942  0.59283431
   0.88616140  0.89708147  0.75254967
   0.14725321  0.11799342  0.12068923
   0.35748890  0.19904258  0.29866321
   0.16479134  0.35614289  0.02379204
   0.40904176  0.45739696  0.33998311
   0.53337418  0.34020824  0.18379222
   0.24109129  0.37550706  0.20267712
   0.21214068  0.10499923  0.43495406
  -0.02538651  0.21256515  0.39986542
  -0.00257824  0.02348509  0.53673927
   0.43203490  0.26949608  0.85878726
   0.07127080  0.26249019  0.57360918
   0.37699566  0.52702093  0.82166115
   0.50892399  0.35247637  0.69144230
   0.23407350  0.36477155  0.72195149
   0.25920540  0.13816880 -0.05711679
  -0.01477328  0.17828739  0.96453773
   0.23922457  0.60120094  0.06467367
   0.34142641  0.71768711  0.27638583
   0.17989060  0.86733971  0.06223887
   0.39824408  0.95137680  0.37458858
   0.45260873  0.92998551  0.17635286
   0.19749433  0.92371470  0.25474696
   0.31271245  0.65960033  0.45609548
   0.06618897  0.54627552  0.39035552
   0.31601722  0.38549048  0.53797017
   0.36018657  0.78053845  0.72065130
   0.08897516  0.78124115  0.48044655
   0.40451013  1.02461380  0.78918167
   0.53206962  0.91288534  0.62515706
   0.24426670  0.93133347  0.60060817
   0.27364232  0.76849048 -0.09893512
   0.02399877  0.68633948  0.94925552
   0.67967169  0.05089016  0.10933848
   0.82252553  0.21955381  0.22722784
   0.59316620  0.28994927  0.01491319
   0.86945728  0.44899516  0.28392105
   0.00140876  0.51549060  0.13793746
   0.74469986  0.46770373  0.11520790
   0.69367947  0.23963654  0.38364745
   0.47047112  0.17986651  0.47351152
   0.72709584  0.07241007  0.53275657
   0.87192825  0.24852682  0.80016244
   0.67282061  0.33331971  0.55626099
   0.91574811  0.49317556  0.84911012
   1.10579021  0.54462158  0.57754391
   0.81673805  0.46710127  0.67130699
   0.74489221  0.08792441  0.92683060
   0.50541593  0.05088491  0.96308826
   0.52630836  0.55520635  0.04598456
   0.92994441  0.72988569  0.29307977
   0.61750731  0.80881976  0.04788781
   0.84961202  1.00445729  0.34070922
   0.95133956  0.91043398  0.15587291
   0.70108839  0.84921052  0.23272513
   0.79893908  0.57464877  0.44174863
   0.56237536  0.65576788  0.36758104
   0.56614811  0.58352737  0.53802082
   0.83408001  0.76124124  0.81528982
   0.68101006  0.83466630  0.47521800
   0.95978245  0.99614604  0.82596568
   1.00086971  0.83916647  0.67541335
   0.75451975  0.97358228  0.70563978
   0.76275218  0.62134196  0.96052689
   0.53219848  0.71192215  0.87984525
   0.76210484  0.77746534  0.62030309
   0.89097238  1.03628592  0.53536469
   0.94956686  0.28483447  0.11683880
   0.81158845  1.14277693  0.17541841
   0.36516697  0.10094977  0.65600360
   0.37397448  0.30132366  0.52088641
   0.46700804  1.31498373 -0.08057759
  -0.21297422  1.56815967  0.01908696
   0.65516608  0.41666921  0.83164653
   0.59775761  0.57964357  0.70193912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.781633    0.245299   -0.025120
    -0.000000    9.645180    0.132491
    -0.000000    0.000000   13.985488
   Si   O    H 
    32    64    10
Direct configuration=  3603
   0.13917774  0.19376029  0.01523629
   0.36764148  0.11196597  0.39518155
   0.15905055  0.45985294  0.11432971
   0.38631050  0.35020416  0.25466434
   0.07234688  0.16159527  0.48161924
   0.39062803  0.09793937  0.88467197
   0.17408312  0.38896539  0.59900648
   0.38733824  0.38183233  0.76610974
   0.17997345  0.72473028 -0.00832471
   0.40292939  0.62796787  0.36202865
   0.11850350  0.95193125  0.14982025
   0.35684603  0.88586089  0.27124425
   0.15225801  0.61857665  0.47855940
   0.38391887  0.69823537  0.82247948
   0.08848463  0.88296812  0.57385467
   0.38162578  0.94569313  0.67825870
   0.63585648  0.12838586  1.00617999
   0.83696974  0.17150460  0.34244591
   0.59697073  0.42002859  0.09484904
   0.88534115  0.39855515  0.16803862
   0.63766355  0.20720996  0.48809481
   0.88766693  0.12428650  0.87699122
   0.64028364  0.47136122  0.62729817
   0.80881614  0.40226245  0.78331980
   0.59241064  0.67551594 -0.01827570
   0.90970642  0.57564015  0.34562321
   0.61093472  0.90557992  0.14249383
   0.86607224  0.87494160  0.25794761
   0.65731061  0.66846061  0.45956171
   0.89745235  0.64549463  0.88518494
   0.68898202  0.90449701  0.59293411
   0.88648944  0.89684125  0.75250786
   0.14736723  0.11848006  0.12237827
   0.35773824  0.19851390  0.29969489
   0.16458785  0.35517257  0.02448292
   0.40880649  0.45753047  0.33980079
   0.53136371  0.34027491  0.18573081
   0.24120506  0.37972105  0.20318319
   0.21236106  0.10565646  0.43506040
  -0.02501339  0.21429167  0.39959681
  -0.00294517  0.02283216  0.53652198
   0.43244921  0.26866321  0.85987439
   0.07239116  0.26195210  0.57314837
   0.37532430  0.52721115  0.82005320
   0.50986913  0.35167024  0.69208957
   0.23484004  0.36375029  0.72156324
   0.25850051  0.13815573 -0.05757080
  -0.01462947  0.17877665  0.96450135
   0.23772066  0.60313376  0.06430603
   0.34321116  0.71554429  0.27660163
   0.17904763  0.86758751  0.06079062
   0.39871361  0.95216413  0.37468121
   0.45118341  0.92913883  0.17520547
   0.19605389  0.92432698  0.25500234
   0.31217899  0.66119286  0.45628807
   0.06690258  0.54610925  0.39029014
   0.31585754  0.38496100  0.53813661
   0.35948234  0.77954532  0.72166009
   0.08844088  0.78369268  0.48112710
   0.40319045  1.02264239  0.78960558
   0.53244773  0.91200164  0.62417038
   0.24523334  0.93094255  0.60003916
   0.27302281  0.76883965 -0.09925143
   0.02486185  0.68894150  0.94841424
   0.67988685  0.05056644  0.10716608
   0.82315944  0.22288925  0.22658669
   0.59454742  0.29039667  0.01572889
   0.86908283  0.44858580  0.28436632
   0.00192049  0.51638920  0.13898523
   0.74334925  0.47001531  0.11446072
   0.69436055  0.23948652  0.38449618
   0.47045677  0.17927845  0.47346095
   0.72754592  0.07116683  0.53270398
   0.87134840  0.24794990  0.80012544
   0.67144117  0.33480981  0.55614602
   0.91497521  0.49442119  0.84998004
   1.10571914  0.54482467  0.57561213
   0.81652119  0.46850147  0.67023770
   0.74434137  0.08914695  0.92720610
   0.50499436  0.05173070  0.96200251
   0.52624176  0.55517757  0.04511504
   0.92869705  0.72881452  0.29396227
   0.61824832  0.80860761  0.04828128
   0.85011788  1.00601550  0.34203125
   0.94903856  0.91065882  0.15698156
   0.70107791  0.84825484  0.23336191
   0.79589347  0.57473198  0.44162410
   0.56426041  0.65695742  0.36648931
   0.56665337  0.58400988  0.53905950
   0.83375041  0.76181883  0.81371324
   0.68027322  0.83486735  0.47655401
   0.96116727  0.99769604  0.82759272
   1.00323186  0.83849153  0.67435349
   0.75329163  0.97601837  0.70519353
   0.76275121  0.62049050  0.95916121
   0.53400311  0.71251516  0.87919577
   0.76540578  0.77870159  0.61850836
   0.89330534  1.03136065  0.53720172
   0.95595989  0.29091073  0.11257400
   0.81205363  1.14733754  0.17779569
   0.37314033  0.10506999  0.65966295
   0.37699960  0.30829007  0.52156552
   0.47582447  1.31045051 -0.08267538
  -0.20888086  1.57010226  0.01359601
   0.66305933  0.41842713  0.82854704
   0.59289482  0.57809868  0.70068362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.781243    0.246309   -0.022616
    -0.000000    9.644930    0.135282
    -0.000000    0.000000   13.983694
   Si   O    H 
    32    64    10
Direct configuration=  3604
   0.13764263  0.19332705  0.01460324
   0.36696172  0.11198199  0.39566188
   0.15965773  0.46038755  0.11399775
   0.38585840  0.35015462  0.25356209
   0.07283302  0.16130472  0.48231019
   0.39204003  0.09759918  0.88537726
   0.17261728  0.38868746  0.59867165
   0.38696136  0.38106465  0.76556976
   0.18014631  0.72644186 -0.00801022
   0.40302621  0.62785211  0.36254246
   0.11746834  0.95170720  0.14942592
   0.35724914  0.88559070  0.27090813
   0.15314201  0.61861215  0.47892655
   0.38310863  0.69887271  0.82194856
   0.08929172  0.88344519  0.57349548
   0.38223430  0.94705049  0.67873772
   0.63530044  0.12882878  1.00517513
   0.83751595  0.17203679  0.34206496
   0.59584931  0.41908861  0.09567078
   0.88413265  0.39826232  0.16742292
   0.63719728  0.20693323  0.48811926
   0.88764786  0.12332110  0.87715422
   0.63994984  0.47295746  0.62885669
   0.80803572  0.40267033  0.78246624
   0.59281086  0.67608238 -0.01830109
   0.91074637  0.57559002  0.34619008
   0.61182112  0.90604750  0.14208913
   0.86676697  0.87657609  0.25832359
   0.65652628  0.67013350  0.45963957
   0.89720468  0.64562593  0.88445722
   0.68895131  0.90293993  0.59292121
   0.88677576  0.89705109  0.75204463
   0.14720297  0.11888778  0.12346117
   0.35796562  0.19764396  0.30002244
   0.16466615  0.35471782  0.02497502
   0.40735770  0.45811845  0.33931752
   0.52815481  0.34027191  0.18753243
   0.24146540  0.38359695  0.20307498
   0.21262184  0.10570134  0.43490603
  -0.02521673  0.21627306  0.39867183
  -0.00434964  0.02197936  0.53613664
   0.43271136  0.26907294  0.86096826
   0.07394017  0.26184581  0.57282781
   0.37290649  0.52808166  0.81879515
   0.51088517  0.35017139  0.69282475
   0.23516939  0.36281495  0.72097894
   0.25622917  0.13768557 -0.05792181
  -0.01344444  0.17850851  0.96453192
   0.23578635  0.60490186  0.06381177
   0.34433218  0.71311256  0.27635376
   0.17810136  0.86769258  0.05954261
   0.40002895  0.95247508  0.37471002
   0.44981205  0.92811957  0.17455719
   0.19469178  0.92513039  0.25450974
   0.31207939  0.66202635  0.45623122
   0.06769216  0.54610956  0.39027342
   0.31545349  0.38458345  0.53799835
   0.35868381  0.77832788  0.72313490
   0.08768654  0.78620464  0.48213190
   0.40148609  1.01986375  0.79003685
   0.53202941  0.91101630  0.62356854
   0.24612395  0.93027999  0.59896580
   0.27305230  0.76863136 -0.09952883
   0.02572467  0.69092451  0.94716538
   0.68021809  0.05016740  0.10534798
   0.82444392  0.22567280  0.22564937
   0.59560474  0.29121888  0.01660071
   0.86837064  0.44813171  0.28490238
   0.00237699  0.51706836  0.14033472
   0.74337210  0.47191818  0.11393322
   0.69531257  0.23914790  0.38478111
   0.47034449  0.17899149  0.47317385
   0.72714883  0.06974110  0.53234417
   0.87061126  0.24708560  0.80001480
   0.66959178  0.33549879  0.55608326
   0.91373845  0.49451025  0.85078231
   1.10551746  0.54360179  0.57427752
   0.81653908  0.46916237  0.66938022
   0.74289508  0.09059626  0.92766200
   0.50414098  0.05296245  0.96101654
   0.52609706  0.55473991  0.04419112
   0.92806777  0.72760905  0.29498997
   0.61881857  0.80883284  0.04868779
   0.85013852  1.00733133  0.34354683
   0.94801000  0.91107810  0.15787566
   0.70114202  0.84749347  0.23389276
   0.79420918  0.57485776  0.44122489
   0.56604674  0.65826523  0.36526130
   0.56808259  0.58446981  0.54095335
   0.83340596  0.76218600  0.81204718
   0.68003974  0.83418220  0.47825334
   0.96265398  0.99863301  0.82922395
   1.00575139  0.83729476  0.67296568
   0.75298047  0.97781197  0.70421121
   0.76208983  0.62002994  0.95751018
   0.53504034  0.71382939  0.87857342
   0.77210153  0.77794091  0.61919813
   0.89142742  1.02759919  0.53837190
   0.95984086  0.30337224  0.10732673
   0.80959341  1.15445168  0.18244707
   0.37687626  0.10850551  0.66079419
   0.38303777  0.31282115  0.52164185
   0.48039580  1.30520394 -0.08345315
  -0.20007625  1.56308702  0.01675264
   0.67633934  0.41443457  0.82228392
   0.59092687  0.56937494  0.69882876
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.780374    0.246787   -0.020172
    -0.000000    9.644709    0.137666
    -0.000000    0.000000   13.982306
   Si   O    H 
    32    64    10
Direct configuration=  3605
   0.13661296  0.19272516  0.01335238
   0.36625753  0.11197771  0.39622963
   0.16059852  0.46062051  0.11389380
   0.38566885  0.34982650  0.25243200
   0.07309545  0.16101642  0.48280996
   0.39314610  0.09750556  0.88638224
   0.17177340  0.38784609  0.59897618
   0.38684399  0.38129904  0.76512579
   0.17977835  0.72798069 -0.00770552
   0.40311504  0.62727134  0.36337029
   0.11662475  0.95157675  0.14884572
   0.35817560  0.88511356  0.27071053
   0.15355995  0.61907979  0.47920548
   0.38230229  0.69983267  0.82179384
   0.09031938  0.88398039  0.57360811
   0.38259110  0.94839012  0.67985688
   0.63492936  0.12865028  1.00443747
   0.83783562  0.17269393  0.34191139
   0.59440599  0.41822328  0.09630719
   0.88313033  0.39837508  0.16729556
   0.63672940  0.20619473  0.48845845
   0.88854860  0.12262560  0.87750659
   0.63985323  0.47481660  0.63008075
   0.80741876  0.40311072  0.78158538
   0.59330912  0.67626065 -0.01835549
   0.91104979  0.57601489  0.34665606
   0.61278245  0.90610720  0.14191269
   0.86628935  0.87780029  0.25880538
   0.65595510  0.67117420  0.46045475
   0.89802468  0.64586949  0.88341341
   0.68908443  0.90265197  0.59312673
   0.88726216  0.89756136  0.75159167
   0.14690394  0.11928592  0.12381562
   0.35856848  0.19676725  0.29986762
   0.16482166  0.35387433  0.02495890
   0.40558510  0.45823725  0.33876765
   0.52453318  0.34023139  0.18861825
   0.24134752  0.38669061  0.20264847
   0.21110078  0.10688420  0.43489983
  -0.02620588  0.21870208  0.39734899
  -0.00509442  0.02189647  0.53572508
   0.43289992  0.26918083  0.86139833
   0.07559513  0.26264646  0.57243900
   0.37071532  0.52911679  0.81798033
   0.51137291  0.34851639  0.69329858
   0.23511023  0.36122360  0.72014960
   0.25302229  0.13702211 -0.05805320
  -0.01142500  0.17759383  0.96455269
   0.23373861  0.60638873  0.06400940
   0.34471186  0.71203033  0.27617773
   0.17840195  0.86757261  0.05876828
   0.40105391  0.95267969  0.37410209
   0.44868173  0.92711105  0.17405587
   0.19346292  0.92603375  0.25386376
   0.31180272  0.66239107  0.45648805
   0.06796536  0.54607594  0.39009072
   0.31419502  0.38440409  0.53806868
   0.35827983  0.77753886  0.72463258
   0.08658508  0.78783654  0.48313717
   0.39919714  1.01678466  0.79006496
   0.53135880  0.91078698  0.62321251
   0.24703919  0.93047962  0.59754777
   0.27279850  0.76863877 -0.09956436
   0.02640489  0.69306565  0.94575582
   0.68085895  0.05076459  0.10370330
   0.82514562  0.22862756  0.22518606
   0.59646031  0.29256029  0.01746462
   0.86787293  0.44634141  0.28506037
   0.00329697  0.51702900  0.14131568
   0.74434195  0.47389259  0.11314539
   0.69644974  0.23890267  0.38426869
   0.46970137  0.17855591  0.47344710
   0.72662741  0.06814033  0.53236651
   0.86981197  0.24573100  0.79995183
   0.66770269  0.33660560  0.55607605
   0.91256665  0.49445170  0.85101989
   1.10534514  0.54168933  0.57353941
   0.81563143  0.46975138  0.66844339
   0.74276864  0.09132006  0.92831644
   0.50314019  0.05450766  0.96007876
   0.52568781  0.55419424  0.04364245
   0.92830667  0.72757882  0.29573299
   0.61949300  0.80901378  0.04924057
   0.84985045  1.00673009  0.34421047
   0.94720727  0.91179073  0.15892056
   0.70147430  0.84651120  0.23453297
   0.79340787  0.57515714  0.44066750
   0.56750525  0.65955077  0.36337381
   0.57065634  0.58473877  0.54309435
   0.83375364  0.76306158  0.81007809
   0.68022441  0.83275788  0.47942877
   0.96426261  0.99942369  0.83008845
   1.00696832  0.83571917  0.67160713
   0.75318053  0.97928238  0.70316238
   0.76094304  0.62065178  0.95701830
   0.53614417  0.71455341  0.87825188
   0.77761736  0.77505096  0.61779250
   0.88342475  1.02887977  0.54032660
   0.95635341  0.31312156  0.10445981
   0.80800012  1.15296569  0.18001228
   0.38131981  0.10932287  0.66012488
   0.38893015  0.31222431  0.52233951
   0.48444593  1.30497596 -0.08432263
  -0.19915729  1.56096116  0.01648101
   0.68443901  0.40774653  0.81905046
   0.58856069  0.56669265  0.70019323
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.779190    0.246707   -0.018064
    -0.000000    9.644293    0.139983
    -0.000000    0.000000   13.980654
   Si   O    H 
    32    64    10
Direct configuration=  3606
   0.13545140  0.19189704  0.01200101
   0.36500111  0.11194881  0.39693335
   0.16173340  0.46106135  0.11371341
   0.38549257  0.34890942  0.25148707
   0.07331936  0.15979990  0.48285881
   0.39404755  0.09652936  0.88707252
   0.17167780  0.38677761  0.59935078
   0.38648376  0.38126685  0.76456756
   0.17976913  0.72996563 -0.00746856
   0.40324375  0.62617528  0.36404315
   0.11588167  0.95141316  0.14844230
   0.35929876  0.88499030  0.27080662
   0.15394896  0.61995955  0.47900437
   0.38155667  0.70036424  0.82167359
   0.09184852  0.88432541  0.57406796
   0.38326014  0.95006985  0.68048314
   0.63357631  0.12768169  1.00386408
   0.83896075  0.17354222  0.34233105
   0.59304615  0.41730867  0.09626613
   0.88255757  0.39817884  0.16750752
   0.63559361  0.20625999  0.48912688
   0.88959491  0.12215437  0.87788980
   0.63995084  0.47619724  0.63122200
   0.80796529  0.40328291  0.78076524
   0.59373624  0.67653893 -0.01815081
   0.91124344  0.57671135  0.34739938
   0.61329597  0.90617895  0.14182706
   0.86553819  0.87889727  0.25986037
   0.65523659  0.67172465  0.46175034
   0.89860014  0.64644896  0.88231599
   0.68947633  0.90253746  0.59336994
   0.88808269  0.89809084  0.75061835
   0.14730714  0.12063687  0.12387946
   0.35850682  0.19548195  0.29885354
   0.16506225  0.35255913  0.02462180
   0.40455329  0.45865505  0.33826159
   0.52117297  0.34108130  0.18986185
   0.24056175  0.38944162  0.20210197
   0.20992495  0.10860574  0.43502678
  -0.02732597  0.22164403  0.39603605
  -0.00487108  0.02241196  0.53525596
   0.43396193  0.26866754  0.86129054
   0.07686590  0.26355597  0.57244860
   0.36891088  0.52911259  0.81712470
   0.51127348  0.34720719  0.69372170
   0.23458724  0.35997550  0.71898247
   0.25058591  0.13649305 -0.05791081
  -0.00982205  0.17664756  0.96426648
   0.23294030  0.60732828  0.06390277
   0.34529812  0.71135349  0.27576194
   0.17875692  0.86785424  0.05797917
   0.40163255  0.95224031  0.37337086
   0.44783054  0.92666115  0.17358043
   0.19199235  0.92757707  0.25306347
   0.31136550  0.66215827  0.45626980
   0.06879824  0.54531378  0.39029792
   0.31261393  0.38383321  0.53807908
   0.35812271  0.77749593  0.72621598
   0.08668395  0.78863297  0.48447651
   0.39741254  1.01396679  0.78996320
   0.53047531  0.90971551  0.62323120
   0.24836441  0.93009726  0.59683305
   0.27221089  0.76797267 -0.09900998
   0.02644340  0.69477858  0.94447348
   0.68106588  0.05229022  0.10193857
   0.82558964  0.23076050  0.22488434
   0.59744024  0.29442754  0.01837975
   0.86731820  0.44435014  0.28476432
   0.00455376  0.51644261  0.14199538
   0.74545403  0.47655371  0.11176846
   0.69709665  0.23837739  0.38347217
   0.46961975  0.17810542  0.47375916
   0.72567144  0.06724141  0.53230872
   0.86999138  0.24564336  0.79974098
   0.66551879  0.33819995  0.55547971
   0.91205998  0.49452121  0.85103397
   1.10606688  0.53963434  0.57373270
   0.81528521  0.46927931  0.66823640
   0.74393540  0.09185554  0.92913088
   0.50227758  0.05569986  0.95944206
   0.52525588  0.55346879  0.04312032
   0.92908391  0.72662227  0.29637752
   0.62008093  0.80957154  0.04973897
   0.84908800  1.00625913  0.34452767
   0.94721470  0.91258653  0.15982422
   0.70220147  0.84516683  0.23566222
   0.79342174  0.57616641  0.43990809
   0.56793066  0.66063553  0.36237320
   0.57294522  0.58475387  0.54470847
   0.83325482  0.76445482  0.80900078
   0.68055320  0.83301989  0.48064172
   0.96587068  0.99917048  0.83031333
   1.00826115  0.83389690  0.67034506
   0.75387874  0.98055763  0.70211944
   0.76081024  0.62063462  0.95710115
   0.53749334  0.71514388  0.87795827
   0.78125666  0.77379340  0.61845304
   0.87742293  1.03006053  0.54330879
   0.95278348  0.31295733  0.10024925
   0.80657558  1.15413035  0.17579502
   0.38781230  0.10915112  0.65915468
   0.39048794  0.31102020  0.52295411
   0.48998280  1.30753054 -0.08228611
  -0.20622160  1.56582083  0.01339845
   0.67255194  0.40054525  0.82131977
   0.58613883  0.56298296  0.70343024
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.777361    0.246960   -0.016059
    -0.000000    9.643509    0.142089
    -0.000000    0.000000   13.979244
   Si   O    H 
    32    64    10
Direct configuration=  3607
   0.13455069  0.19147972  0.01071831
   0.36351183  0.11177894  0.39741562
   0.16323723  0.46214440  0.11348203
   0.38467569  0.34853477  0.25082964
   0.07317011  0.15911169  0.48238661
   0.39428823  0.09510963  0.88742900
   0.17143503  0.38612707  0.59995631
   0.38612731  0.38113315  0.76336627
   0.17974599  0.73167646 -0.00760083
   0.40422350  0.62496597  0.36448784
   0.11513603  0.95148202  0.14810508
   0.35968439  0.88400619  0.27106280
   0.15461867  0.62113233  0.47845935
   0.38111257  0.70110102  0.82133989
   0.09339496  0.88438115  0.57513277
   0.38385388  0.95146861  0.68014596
   0.63243528  0.12661931  1.00333975
   0.83984499  0.17398797  0.34275125
   0.59164721  0.41618544  0.09587988
   0.88270659  0.39803770  0.16778034
   0.63427965  0.20680690  0.48961245
   0.89026073  0.12228504  0.87877828
   0.63998146  0.47711536  0.63219753
   0.80837634  0.40390645  0.77988297
   0.59467819  0.67659762 -0.01786800
   0.91183053  0.57661738  0.34833360
   0.61406417  0.90618588  0.14176684
   0.86459294  0.87954658  0.26123427
   0.65527257  0.67193105  0.46258658
   0.89899016  0.64744220  0.88137277
   0.68961457  0.90250058  0.59385314
   0.88807182  0.89820547  0.74957980
   0.14689323  0.12109254  0.12331546
   0.35953379  0.19449383  0.29791237
   0.16551671  0.35280295  0.02463079
   0.40418167  0.45902748  0.33771245
   0.51940011  0.34217332  0.19077890
   0.23991032  0.39156745  0.20176172
   0.20934127  0.11077620  0.43563504
  -0.02797240  0.22405213  0.39501510
  -0.00458274  0.02308316  0.53466261
   0.43481812  0.26840231  0.86131878
   0.07760933  0.26411563  0.57222669
   0.36727879  0.52998959  0.81630620
   0.51097697  0.34573425  0.69388909
   0.23304790  0.35875526  0.71709383
   0.24876077  0.13518321 -0.05775599
  -0.00911845  0.17559214  0.96385236
   0.23174261  0.60778014  0.06470565
   0.34584015  0.71210940  0.27518874
   0.17879307  0.86846891  0.05751716
   0.40299747  0.95210249  0.37289120
   0.44806456  0.92649415  0.17339291
   0.18995809  0.92821614  0.25169121
   0.31080629  0.66157981  0.45646887
   0.06881019  0.54476896  0.39123784
   0.31053646  0.38301596  0.53751522
   0.35805794  0.77816710  0.72733303
   0.08755517  0.78825105  0.48603699
   0.39549275  1.01133865  0.79057189
   0.52919386  0.90918429  0.62306691
   0.24900836  0.92887428  0.59677353
   0.27077152  0.76745258 -0.09842696
   0.02591493  0.69640746  0.94320902
   0.68144841  0.05437591  0.10082473
   0.82624138  0.23147054  0.22449895
   0.59796361  0.29573862  0.01918494
   0.86740787  0.44379766  0.28488668
   0.00554296  0.51598845  0.14234864
   0.74722993  0.47918248  0.11023080
   0.69770501  0.23680457  0.38275874
   0.46972675  0.17794694  0.47394630
   0.72499264  0.06599788  0.53262665
   0.87051826  0.24571239  0.79900263
   0.66335751  0.33965512  0.55451568
   0.91195915  0.49403881  0.85089999
   1.10713809  0.53789018  0.57335590
   0.81426086  0.46831454  0.66783711
   0.74654270  0.09189939  0.92958783
   0.50259736  0.05615220  0.95909152
   0.52475230  0.55366428  0.04294337
   0.92972145  0.72584457  0.29746344
   0.62046067  0.80958586  0.05026055
   0.84848459  1.00608411  0.34416614
   0.94795360  0.91238192  0.16106375
   0.70341714  0.84419365  0.23674945
   0.79368416  0.57637188  0.43940728
   0.56837326  0.66089357  0.36163194
   0.57520233  0.58456448  0.54627436
   0.83285795  0.76494490  0.80855425
   0.68078650  0.83324593  0.48153139
   0.96733789  0.99870764  0.83003239
   1.00936919  0.83203995  0.66907812
   0.75546301  0.98215484  0.70075251
   0.76069804  0.62069192  0.95685458
   0.53870601  0.71625079  0.87731930
   0.78255681  0.77307366  0.61887842
   0.87254068  1.03164719  0.54630854
   0.95040133  0.30701625  0.09729509
   0.80424488  1.16086092  0.17553884
   0.39194033  0.10566261  0.65715296
   0.38394387  0.31610195  0.52468157
   0.49756988  1.30894865 -0.08311911
  -0.21326862  1.57002683  0.01196019
   0.65612069  0.39540498  0.82468699
   0.58793148  0.56154354  0.71061269
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.775762    0.247163   -0.013692
    -0.000000    9.642578    0.143753
    -0.000000    0.000000   13.977687
   Si   O    H 
    32    64    10
Direct configuration=  3608
   0.13421585  0.19073580  0.00916001
   0.36221934  0.11200460  0.39786937
   0.16420074  0.46360462  0.11326871
   0.38367557  0.34813581  0.25079405
   0.07323684  0.15862727  0.48199415
   0.39357487  0.09444215  0.88773396
   0.17182304  0.38535089  0.60059852
   0.38610344  0.38073073  0.76188772
   0.17915821  0.73299553 -0.00798519
   0.40445864  0.62394265  0.36523154
   0.11443170  0.95189696  0.14868784
   0.36026993  0.88371091  0.27140831
   0.15461014  0.62260433  0.47759066
   0.38093813  0.70130765  0.82097095
   0.09512582  0.88484554  0.57670314
   0.38421530  0.95298597  0.67984125
   0.63186383  0.12604206  1.00311592
   0.83978249  0.17418529  0.34327146
   0.59038491  0.41510969  0.09494472
   0.88298738  0.39811866  0.16838554
   0.63301844  0.20722206  0.49058737
   0.89130801  0.12262553  0.87943747
   0.64014771  0.47770400  0.63257810
   0.80812824  0.40488199  0.77872874
   0.59530327  0.67713114 -0.01759275
   0.91237793  0.57702772  0.34872799
   0.61455031  0.90623496  0.14185097
   0.86382949  0.87947642  0.26315158
   0.65472723  0.67227545  0.46347506
   0.89856509  0.64796115  0.88058674
   0.69013536  0.90274262  0.59431008
   0.88876376  0.89841937  0.74812115
   0.14613807  0.12130523  0.12219451
   0.36089375  0.19378187  0.29672210
   0.16628653  0.35270652  0.02428647
   0.40363351  0.45997539  0.33697912
   0.51840615  0.34320311  0.19102568
   0.23873343  0.39365569  0.20165444
   0.20969229  0.11271159  0.43623446
  -0.02757524  0.22632181  0.39366385
  -0.00493303  0.02328338  0.53410400
   0.43525691  0.26866271  0.86166023
   0.07785748  0.26467736  0.57153212
   0.36519117  0.53047497  0.81561305
   0.51075136  0.34483013  0.69383389
   0.23171466  0.35783031  0.71466846
   0.24708717  0.13374983 -0.05819668
  -0.00973780  0.17475182  0.96371922
   0.23045717  0.60723284  0.06571315
   0.34665328  0.71242179  0.27454112
   0.17897793  0.86909665  0.05681891
   0.40478718  0.95118126  0.37180009
   0.44874467  0.92584454  0.17333427
   0.18939980  0.92819754  0.25053075
   0.30984049  0.66139600  0.45668813
   0.06962494  0.54506898  0.39233638
   0.30837456  0.38239309  0.53734739
   0.35744602  0.77987096  0.72764813
   0.08881539  0.78723965  0.48744494
   0.39425304  1.00968206  0.79135481
   0.52772104  0.90824247  0.62240416
   0.24893747  0.92820903  0.59723704
   0.27016636  0.76650601 -0.09853933
   0.02543169  0.69794109  0.94192710
   0.68165511  0.05681108  0.10058753
   0.82644145  0.23226589  0.22433007
   0.59890693  0.29709984  0.01950290
   0.86757447  0.44357755  0.28518948
   0.00595767  0.51498950  0.14221006
   0.74885486  0.48107459  0.10938043
   0.69806410  0.23505555  0.38251652
   0.47012788  0.17783961  0.47426718
   0.72444067  0.06512302  0.53322785
   0.87113137  0.24548773  0.79827491
   0.66161276  0.34090644  0.55329062
   0.91230141  0.49326313  0.85043996
   1.10889462  0.53697349  0.57321620
   0.81303884  0.46729987  0.66785333
   0.74840938  0.09212869  0.92985686
   0.50335483  0.05665720  0.95904054
   0.52407551  0.55388944  0.04279449
   0.93130886  0.72491056  0.29808259
   0.62094413  0.80887272  0.05114083
   0.84781305  1.00562154  0.34381986
   0.94923553  0.91152381  0.16245073
   0.70429107  0.84332438  0.23768849
   0.79414270  0.57663901  0.43883102
   0.56831717  0.66119329  0.36106272
   0.57741589  0.58467717  0.54786380
   0.83254876  0.76531573  0.80779864
   0.68062874  0.83370075  0.48226907
   0.96899500  0.99814100  0.82943529
   1.00995217  0.83059211  0.66880409
   0.75758172  0.98341487  0.69947330
   0.75936337  0.62124247  0.95631685
   0.53946205  0.71743194  0.87643832
   0.78129428  0.77480185  0.61923142
   0.86830855  1.03690443  0.54759022
   0.94348580  0.30039642  0.09801220
   0.80235199  1.16369739  0.17601978
   0.39210143  0.10012620  0.65390321
   0.37567578  0.31669475  0.52661552
   0.50061922  1.30978760 -0.08862953
  -0.21765011  1.56600327  0.01940970
   0.64752953  0.39360710  0.82815276
   0.59442506  0.56065633  0.71684850
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774419    0.247430   -0.011074
    -0.000000    9.641463    0.145891
    -0.000000    0.000000   13.976631
   Si   O    H 
    32    64    10
Direct configuration=  3609
   0.13415604  0.19040296  0.00831391
   0.36089942  0.11155127  0.39803105
   0.16439068  0.46497144  0.11270068
   0.38294202  0.34776841  0.25096634
   0.07270755  0.15817182  0.48111772
   0.39231179  0.09403017  0.88789476
   0.17262987  0.38511715  0.60115420
   0.38610879  0.38028960  0.75986486
   0.17860359  0.73354476 -0.00822101
   0.40511821  0.62296803  0.36549506
   0.11391024  0.95318606  0.14859021
   0.36008785  0.88259578  0.27145913
   0.15409677  0.62479387  0.47666915
   0.38149337  0.70163213  0.82109424
   0.09670159  0.88496609  0.57810508
   0.38424480  0.95384281  0.67957812
   0.63112515  0.12571402  1.00295865
   0.83978965  0.17417660  0.34351604
   0.58980871  0.41447330  0.09392538
   0.88312643  0.39847523  0.16879851
   0.63217344  0.20725479  0.49186672
   0.89165181  0.12386837  0.87978729
   0.63934786  0.47772996  0.63323016
   0.80770932  0.40479191  0.77769445
   0.59571108  0.67744057 -0.01753479
   0.91255552  0.57769867  0.34924938
   0.61433705  0.90620771  0.14209664
   0.86328391  0.87933767  0.26498720
   0.65476427  0.67275526  0.46448898
   0.89814470  0.64901359  0.87997924
   0.69013411  0.90274968  0.59488898
   0.88963939  0.89876361  0.74642863
   0.14575728  0.12119447  0.12109536
   0.36308459  0.19343102  0.29536738
   0.16594155  0.35274875  0.02449322
   0.40312746  0.46098696  0.33656959
   0.51822840  0.34543483  0.19038426
   0.23734083  0.39442737  0.20173312
   0.21086832  0.11362080  0.43675072
  -0.02636039  0.22781100  0.39341672
  -0.00528961  0.02331975  0.53374829
   0.43536535  0.26966022  0.86214366
   0.07775570  0.26532553  0.57036851
   0.36358220  0.53054215  0.81552463
   0.51036744  0.34440212  0.69340159
   0.23065154  0.35695764  0.71254626
   0.24674140  0.13183968 -0.05908824
  -0.01172800  0.17392932  0.96367860
   0.22906713  0.60655591  0.06680960
   0.34746860  0.71282455  0.27421177
   0.17924048  0.87050978  0.05584451
   0.40520407  0.95062467  0.37142657
   0.44924148  0.92556326  0.17294396
   0.18977531  0.92851497  0.24897762
   0.30972945  0.66135256  0.45667063
   0.07053258  0.54484818  0.39322374
   0.30579846  0.38248810  0.53707414
   0.35674072  0.78181268  0.72742821
   0.09042032  0.78569707  0.48856604
   0.39258192  1.00874062  0.79265885
   0.52633064  0.90680824  0.62239966
   0.24859033  0.92774617  0.59753333
   0.27026716  0.76589632 -0.09958323
   0.02411135  0.69986335  0.94074663
   0.68167840  0.05860281  0.10089949
   0.82644901  0.23213683  0.22486499
   0.60017970  0.29744588  0.01929444
   0.86765156  0.44397686  0.28518472
   0.00737395  0.51454243  0.14259597
   0.75059597  0.48253222  0.10893552
   0.69815516  0.23314792  0.38250373
   0.47110058  0.17767369  0.47462999
   0.72419070  0.06471682  0.53440178
   0.87214399  0.24447379  0.79765275
   0.65993296  0.34245708  0.55232984
   0.91192155  0.49250782  0.85026355
   1.11128066  0.53714986  0.57282987
   0.81208298  0.46666684  0.66800930
   0.75069953  0.09174277  0.93012942
   0.50386920  0.05643960  0.95944455
   0.52299253  0.55369086  0.04275799
   0.93250549  0.72351742  0.29891444
   0.62160737  0.80802559  0.05190033
   0.84729274  1.00474462  0.34311938
   0.95046037  0.91163328  0.16404347
   0.70468758  0.84306446  0.23815037
   0.79533609  0.57692274  0.43781428
   0.56800541  0.66102966  0.36045516
   0.57985772  0.58465890  0.54946527
   0.83243709  0.76450445  0.80751177
   0.68041549  0.83417980  0.48343702
   0.96985697  0.99607239  0.82876993
   1.01102922  0.82950492  0.66903827
   0.76004983  0.98438923  0.69790613
   0.75730959  0.62243507  0.95655850
   0.53934924  0.71807929  0.87585611
   0.78227356  0.77533550  0.62189655
   0.86410876  1.04421467  0.54506424
   0.93623199  0.29258103  0.09822714
   0.80114305  1.15874367  0.17685899
   0.38972636  0.09991000  0.64742348
   0.37694149  0.31112500  0.52714589
   0.50086218  1.31005862 -0.09314335
  -0.22045347  1.55859844  0.02493283
   0.64772147  0.39266974  0.82983972
   0.60041936  0.56123540  0.71905937
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.773287    0.247237   -0.008330
    -0.000000    9.640383    0.147925
    -0.000000    0.000000   13.975624
   Si   O    H 
    32    64    10
Direct configuration=  3610
   0.13397592  0.19083893  0.00747253
   0.36046202  0.11126949  0.39838425
   0.16418979  0.46586608  0.11186377
   0.38157295  0.34760118  0.25113467
   0.07131329  0.15828294  0.48059674
   0.39104390  0.09382590  0.88761672
   0.17331598  0.38608472  0.60158583
   0.38588966  0.38049836  0.75809435
   0.17785285  0.73387219 -0.00840819
   0.40527480  0.62118216  0.36546947
   0.11329546  0.95441975  0.14857004
   0.35934644  0.88202298  0.27103414
   0.15259335  0.62616536  0.47553534
   0.38260632  0.70178043  0.82162044
   0.09793516  0.88485416  0.57976010
   0.38398172  0.95421065  0.67893988
   0.63019022  0.12534992  1.00310524
   0.83999516  0.17411142  0.34367524
   0.58961395  0.41389285  0.09302418
   0.88375233  0.39858397  0.16952535
   0.63128469  0.20689200  0.49264718
   0.89263988  0.12544601  0.87986234
   0.63831397  0.47685419  0.63360050
   0.80699600  0.40482760  0.77694542
   0.59526687  0.67786330 -0.01756303
   0.91264904  0.57776643  0.34967836
   0.61382666  0.90608596  0.14220465
   0.86298612  0.87914560  0.26684207
   0.65493814  0.67324405  0.46521897
   0.89722451  0.64944446  0.87907863
   0.69023064  0.90250697  0.59569015
   0.89040131  0.89823274  0.74482332
   0.14522227  0.12130391  0.11980431
   0.36549395  0.19312268  0.29447471
   0.16538060  0.35219790  0.02443379
   0.40285756  0.46282803  0.33696891
   0.51842534  0.34813848  0.18914130
   0.23667310  0.39519620  0.20184379
   0.21312634  0.11443810  0.43749046
  -0.02497789  0.22856325  0.39343931
  -0.00572141  0.02469958  0.53361914
   0.43478916  0.27039172  0.86253372
   0.07720420  0.26494806  0.56941119
   0.36157185  0.53023969  0.81546969
   0.51088810  0.34398520  0.69269046
   0.23048914  0.35629087  0.71098351
   0.24736061  0.12958959 -0.06052204
  -0.01312671  0.17271355  0.96297608
   0.22751736  0.60527476  0.06795723
   0.34857772  0.71324778  0.27396907
   0.17890540  0.87137516  0.05465879
   0.40576403  0.95022543  0.37133205
   0.45023552  0.92461430  0.17244776
   0.19154540  0.92850346  0.24730793
   0.31061073  0.66125025  0.45667011
   0.07165837  0.54490741  0.39399559
   0.30485974  0.38198780  0.53691622
   0.35597638  0.78445335  0.72687023
   0.09260758  0.78396700  0.48973642
   0.39129938  1.00816688  0.79423019
   0.52563021  0.90558716  0.62270060
   0.24786534  0.92767531  0.59785124
   0.27030530  0.76519592 -0.10095533
   0.02202151  0.70068162  0.93954162
   0.68080867  0.05989312  0.10101664
   0.82545132  0.23102393  0.22532727
   0.60063963  0.29712666  0.01906420
   0.86737902  0.44401317  0.28489451
   0.00961755  0.51342905  0.14368199
   0.75206265  0.48321897  0.10905485
   0.69763614  0.23172252  0.38283238
   0.47181000  0.17724913  0.47456763
   0.72465142  0.06346332  0.53549587
   0.87223742  0.24375843  0.79707517
   0.65863490  0.34300574  0.55224893
   0.91114742  0.49170350  0.84976130
   1.11337928  0.53673051  0.57243039
   0.81119777  0.46539676  0.66851162
   0.75230983  0.09140061  0.93008406
   0.50412583  0.05511753  0.96023857
   0.52180226  0.55369592  0.04281971
   0.93298158  0.72265254  0.29934803
   0.62237678  0.80771235  0.05250777
   0.84701204  1.00231526  0.34219268
   0.95144476  0.91121446  0.16521921
   0.70462888  0.84339323  0.23811506
   0.79759572  0.57853915  0.43704688
   0.56732906  0.66120320  0.36037828
   0.58120721  0.58492779  0.55050094
   0.83219543  0.76406007  0.80707701
   0.67942459  0.83446838  0.48411921
   0.97009467  0.99373974  0.82757830
   1.01106990  0.82885019  0.66993372
   0.76269033  0.98522122  0.69709637
   0.75542203  0.62345154  0.95729057
   0.53799879  0.71876522  0.87527486
   0.78256654  0.77510033  0.62359072
   0.85858638  1.05170896  0.54231173
   0.92883566  0.28602468  0.09669744
   0.80363728  1.15525463  0.17907655
   0.38328486  0.09744241  0.64085809
   0.37891815  0.30843647  0.52800407
   0.49568667  1.31200736 -0.09459412
  -0.22385003  1.55205666  0.02734127
   0.66167305  0.39291500  0.82953420
   0.60420095  0.56311294  0.72001609
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772051    0.247725   -0.005091
    -0.000000    9.639458    0.149895
    -0.000000    0.000000   13.974472
   Si   O    H 
    32    64    10
Direct configuration=  3611
   0.13404489  0.19112331  0.00660766
   0.36024797  0.11099886  0.39822022
   0.16324100  0.46705208  0.11076309
   0.38033036  0.34807977  0.25148987
   0.07038748  0.15850823  0.48018398
   0.38933634  0.09381930  0.88683032
   0.17411259  0.38636407  0.60168987
   0.38523145  0.38122756  0.75664441
   0.17639995  0.73342075 -0.00866075
   0.40521107  0.61945198  0.36547150
   0.11250634  0.95552634  0.14818710
   0.35871388  0.88119748  0.27082324
   0.15067442  0.62762899  0.47488660
   0.38376587  0.70159238  0.82209119
   0.09905052  0.88543418  0.58111235
   0.38410659  0.95432021  0.67827591
   0.62961023  0.12494899  1.00296697
   0.84008363  0.17366541  0.34367115
   0.59003471  0.41374701  0.09239189
   0.88451990  0.39839275  0.17020450
   0.63075148  0.20663077  0.49302046
   0.89302361  0.12700445  0.87973512
   0.63788086  0.47535359  0.63432600
   0.80648835  0.40492896  0.77649330
   0.59414691  0.67876707 -0.01761466
   0.91261741  0.57749505  0.35039061
   0.61272422  0.90626374  0.14248364
   0.86271166  0.87838270  0.26847161
   0.65502868  0.67355011  0.46612933
   0.89607671  0.64960382  0.87808522
   0.68989869  0.90281065  0.59638275
   0.89158388  0.89763194  0.74371199
   0.14414874  0.12132518  0.11744150
   0.36797051  0.19312762  0.29402209
   0.16433968  0.35159945  0.02415959
   0.40319389  0.46323234  0.33736777
   0.51858134  0.35010716  0.18791998
   0.23614896  0.39598513  0.20179213
   0.21522123  0.11507441  0.43797153
  -0.02459993  0.22884859  0.39434271
  -0.00610580  0.02697187  0.53308542
   0.43409003  0.27115383  0.86211471
   0.07572625  0.26441931  0.56846749
   0.36071107  0.52966257  0.81513371
   0.51029435  0.34330163  0.69179099
   0.22960731  0.35570408  0.71021003
   0.24804039  0.12745710 -0.06204686
  -0.01376363  0.17255773  0.96238740
   0.22687555  0.60418328  0.06851110
   0.34888935  0.71314282  0.27481278
   0.17765522  0.87240031  0.05399399
   0.40585315  0.95001197  0.37108777
   0.45070421  0.92424265  0.17232055
   0.19368728  0.92820088  0.24630240
   0.31131237  0.66140641  0.45631374
   0.07289869  0.54487631  0.39510872
   0.30466651  0.38142948  0.53692741
   0.35530978  0.78754222  0.72606579
   0.09425002  0.78199163  0.49067624
   0.38993315  1.00849539  0.79505258
   0.52549118  0.90487189  0.62301679
   0.24736643  0.92915761  0.59821979
   0.27019545  0.76523315 -0.10219211
   0.02107590  0.70216564  0.93877868
   0.67885220  0.06072914  0.10163803
   0.82396841  0.22952265  0.22606126
   0.60101035  0.29556059  0.01900214
   0.86677748  0.44432511  0.28527070
   0.01128722  0.51270785  0.14473933
   0.75283969  0.48405320  0.10888769
   0.69744608  0.22997813  0.38371364
   0.47243903  0.17617406  0.47413375
   0.72610656  0.06270377  0.53614797
   0.87211032  0.24365669  0.79639802
   0.65784976  0.34326380  0.55185963
   0.91053290  0.49110867  0.84925451
   1.11472891  0.53676842  0.57181974
   0.80986181  0.46398917  0.66892225
   0.75299798  0.09070602  0.93033652
   0.50477856  0.05343204  0.96145302
   0.52095619  0.55307481  0.04285328
   0.93346774  0.72251967  0.29975700
   0.62298464  0.80751190  0.05320269
   0.84687935  1.00024665  0.34190226
   0.95154805  0.91101072  0.16645119
   0.70434900  0.84342706  0.23719292
   0.79942750  0.58071626  0.43611877
   0.56650766  0.66094925  0.36131579
   0.58242838  0.58521449  0.55158794
   0.83178131  0.76371038  0.80669052
   0.67874684  0.83469699  0.48476733
   0.96991611  0.99246502  0.82673523
   1.01058630  0.82907202  0.67047169
   0.76503977  0.98573206  0.69695273
   0.75386246  0.62388873  0.95791998
   0.53711048  0.71866111  0.87548828
   0.78053201  0.77377636  0.62372625
   0.84969089  1.05985319  0.53822833
   0.91719839  0.28539825  0.09464244
   0.80700965  1.15427797  0.17995861
   0.37688833  0.09515220  0.63672347
   0.37781881  0.31070465  0.52912086
   0.49518721  1.31703095 -0.09140733
  -0.22567154  1.54633015  0.02745472
   0.68114306  0.39596875  0.82777909
   0.60829822  0.56407683  0.71878667
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.770698    0.248641   -0.001957
    -0.000000    9.639060    0.151978
    -0.000000    0.000000   13.973281
   Si   O    H 
    32    64    10
Direct configuration=  3612
   0.13417046  0.19107392  0.00602829
   0.36096557  0.11084643  0.39767456
   0.16200634  0.46796952  0.10921937
   0.37924309  0.34847064  0.25167252
   0.06984024  0.15983416  0.48031658
   0.38731114  0.09384021  0.88583679
   0.17544258  0.38748124  0.60168591
   0.38463459  0.38195443  0.75500199
   0.17530476  0.73327062 -0.00888805
   0.40465532  0.61759834  0.36526316
   0.11227085  0.95630186  0.14727723
   0.35752362  0.88103815  0.27062711
   0.14961404  0.62848325  0.47439955
   0.38443506  0.70114221  0.82248481
   0.10032099  0.88608804  0.58195509
   0.38454414  0.95414972  0.67821510
   0.62994315  0.12461599  1.00288528
   0.83966931  0.17266314  0.34362826
   0.59092454  0.41352187  0.09201661
   0.88558412  0.39801696  0.17046600
   0.63141408  0.20660572  0.49339171
   0.89318193  0.12802532  0.87939141
   0.63776806  0.47408606  0.63511443
   0.80669127  0.40524735  0.77626221
   0.59333211  0.67945338 -0.01777490
   0.91220910  0.57716896  0.35136027
   0.61126808  0.90626379  0.14319415
   0.86277080  0.87741042  0.26950060
   0.65548794  0.67355821  0.46675355
   0.89423702  0.64958464  0.87717342
   0.68953827  0.90316933  0.59723148
   0.89304366  0.89740196  0.74279080
   0.14258368  0.11973779  0.11563122
   0.37076018  0.19278921  0.29370950
   0.16402573  0.35168155  0.02329065
   0.40276015  0.46264978  0.33802661
   0.51862870  0.35126041  0.18725488
   0.23589746  0.39673383  0.20143696
   0.21747989  0.11581250  0.43831421
  -0.02463104  0.22901040  0.39568970
  -0.00684427  0.02843212  0.53293983
   0.43351814  0.27122454  0.86152158
   0.07481147  0.26362240  0.56770767
   0.36018214  0.52886223  0.81458562
   0.51001959  0.34352922  0.69113646
   0.22928604  0.35503852  0.70974219
   0.24829581  0.12563251 -0.06344221
  -0.01410897  0.17271374  0.96290913
   0.22677980  0.60386680  0.06870338
   0.34895196  0.71345286  0.27567133
   0.17676858  0.87250653  0.05360977
   0.40550803  0.94909508  0.37131500
   0.45115236  0.92330705  0.17253929
   0.19595625  0.92790140  0.24584715
   0.31307973  0.66080438  0.45600494
   0.07338076  0.54385568  0.39659863
   0.30548691  0.38044437  0.53629205
   0.35552562  0.79059642  0.72530469
   0.09516226  0.78055629  0.49186282
   0.38902113  1.00877601  0.79519687
   0.52601873  0.90406284  0.62349021
   0.24678630  0.93089057  0.59890639
   0.27020979  0.76509856 -0.10338215
   0.02075278  0.70427078  0.93798755
   0.67739381  0.06099669  0.10304729
   0.82223455  0.22765460  0.22676142
   0.60113150  0.29393757  0.01826396
   0.86618133  0.44538553  0.28560400
   0.01306218  0.51218528  0.14628051
   0.75337446  0.48372293  0.10871988
   0.69754367  0.22784068  0.38467753
   0.47280745  0.17613385  0.47372773
   0.72780615  0.06231498  0.53682048
   0.87230606  0.24335781  0.79543273
   0.65699313  0.34299740  0.55141750
   0.91034915  0.49074780  0.84862287
   1.11519966  0.53680701  0.57128711
   0.80963647  0.46208413  0.66907461
   0.75372723  0.09029785  0.93093812
   0.50497108  0.05161878  0.96270366
   0.52076414  0.55215234  0.04258291
   0.93317052  0.72348267  0.29971926
   0.62294714  0.80645508  0.05394535
   0.84705865  0.99886553  0.34215662
   0.95154249  0.91086668  0.16767716
   0.70411138  0.84376378  0.23603024
   0.80015651  0.58349929  0.43538835
   0.56595166  0.66041354  0.36294714
   0.58323010  0.58617183  0.55219801
   0.83214347  0.76289780  0.80622281
   0.67783920  0.83366449  0.48536863
   0.96928018  0.99117098  0.82582998
   1.01025736  0.82878215  0.67070929
   0.76671322  0.98562345  0.69674347
   0.75301028  0.62440452  0.95898958
   0.53494320  0.72004787  0.87531991
   0.77623603  0.78030764  0.62462004
   0.83698850  1.06337143  0.53523419
   0.90899159  0.29105604  0.09406475
   0.81160040  1.15676557  0.18258460
   0.37398304  0.09396160  0.63701404
   0.37656608  0.31257651  0.53227839
   0.49301683  1.31848442 -0.08777022
  -0.22474660  1.54445970  0.02644533
   0.69260240  0.40019842  0.82824390
   0.61339795  0.56539385  0.71692539
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.769374    0.249456    0.000744
    -0.000000    9.638627    0.154081
    -0.000000    0.000000   13.972303
   Si   O    H 
    32    64    10
Direct configuration=  3613
   0.13490164  0.19034272  0.00555844
   0.36223371  0.11074124  0.39692861
   0.16124958  0.46845717  0.10762963
   0.37874246  0.34868825  0.25208427
   0.06964848  0.16169289  0.48033357
   0.38532411  0.09391432  0.88500540
   0.17686679  0.38815224  0.60141572
   0.38400196  0.38246769  0.75380086
   0.17335951  0.73310974 -0.00943065
   0.40397748  0.61661783  0.36524169
   0.11192898  0.95680899  0.14655129
   0.35655605  0.88077022  0.27037830
   0.14856256  0.62910203  0.47384114
   0.38461922  0.70065528  0.82282061
   0.10056806  0.88665811  0.58294447
   0.38441718  0.95431020  0.67826164
   0.63070351  0.12402833  1.00282819
   0.84007558  0.17096843  0.34346360
   0.59251972  0.41371405  0.09160245
   0.88623971  0.39766739  0.17041520
   0.63148613  0.20692504  0.49355991
   0.89282060  0.12936214  0.87910751
   0.63748238  0.47255031  0.63559681
   0.80750333  0.40552674  0.77576336
   0.59266788  0.67984057 -0.01781523
   0.91165234  0.57719687  0.35210244
   0.61042473  0.90668865  0.14400430
   0.86335631  0.87640368  0.27036022
   0.65595880  0.67320676  0.46685560
   0.89274337  0.65011506  0.87649094
   0.68884369  0.90334519  0.59831082
   0.89436331  0.89790228  0.74188608
   0.14112738  0.11838071  0.11366038
   0.37357862  0.19262998  0.29361378
   0.16477370  0.35144780  0.02292407
   0.40209051  0.46210331  0.33850341
   0.51793282  0.35165565  0.18700627
   0.23609421  0.39686247  0.20088374
   0.21924514  0.11660622  0.43921057
  -0.02522533  0.22901348  0.39696087
  -0.00651166  0.02952268  0.53255238
   0.43259330  0.27199083  0.86137209
   0.07322798  0.26358184  0.56723537
   0.35941064  0.52838704  0.81401704
   0.51063401  0.34405086  0.69061579
   0.22890748  0.35450773  0.70984569
   0.24786057  0.12317317 -0.06436092
  -0.01460352  0.17356730  0.96336849
   0.22690453  0.60442114  0.06865550
   0.34853333  0.71407030  0.27671334
   0.17524976  0.87241297  0.05320402
   0.40476812  0.94858480  0.37195449
   0.45172107  0.92294341  0.17263264
   0.19826069  0.92645984  0.24584823
   0.31373796  0.66016959  0.45651669
   0.07314952  0.54254889  0.39807318
   0.30651723  0.38004665  0.53540056
   0.35569456  0.79369546  0.72417964
   0.09564031  0.78076916  0.49328698
   0.38802289  1.00859641  0.79504494
   0.52625746  0.90292510  0.62392033
   0.24726909  0.93264933  0.59924055
   0.27046180  0.76434318 -0.10420532
   0.02039640  0.70610935  0.93739830
   0.67569421  0.06094101  0.10455714
   0.82148371  0.22641462  0.22771050
   0.60084556  0.29246544  0.01728380
   0.86588555  0.44588984  0.28632263
   0.01373174  0.51135213  0.14760289
   0.75303717  0.48321589  0.10810551
   0.69764132  0.22589571  0.38541727
   0.47318422  0.17527274  0.47327720
   0.72904992  0.06179792  0.53698272
   0.87222227  0.24284154  0.79427639
   0.65622487  0.34265615  0.55168636
   0.90983617  0.49072051  0.84727399
   1.11495921  0.53700051  0.57059003
   0.80974087  0.46076819  0.66966541
   0.75382295  0.08956325  0.93150557
   0.50420282  0.04924350  0.96377602
   0.52077083  0.55189508  0.04182984
   0.93225338  0.72525213  0.29929279
   0.62277126  0.80486972  0.05425090
   0.84678826  0.99790892  0.34241014
   0.95141098  0.91029622  0.16918967
   0.70413129  0.84482551  0.23523333
   0.80132103  0.58584753  0.43525271
   0.56571744  0.66039572  0.36452698
   0.58446819  0.58724873  0.55246583
   0.83277696  0.76176794  0.80561433
   0.67715057  0.83268966  0.48534707
   0.96729788  0.99049496  0.82496831
   1.00982850  0.82866328  0.67079033
   0.76797196  0.98565453  0.69613020
   0.75277197  0.62471748  0.95973825
   0.53322740  0.72156763  0.87521454
   0.77255147  0.78589499  0.62790631
   0.82089539  1.06414265  0.53617438
   0.90399560  0.29834301  0.09642163
   0.81441233  1.15316214  0.17938363
   0.37106761  0.09722079  0.63940842
   0.38310316  0.30880220  0.53581483
   0.48981602  1.31934482 -0.08862609
  -0.22258824  1.54656456  0.02675236
   0.68500877  0.40573560  0.83338222
   0.61235005  0.56505410  0.71285072
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.768213    0.250237    0.004039
    -0.000000    9.638562    0.155821
    -0.000000    0.000000   13.970971
   Si   O    H 
    32    64    10
Direct configuration=  3614
   0.13573553  0.18959445  0.00570048
   0.36433272  0.11077473  0.39600427
   0.16031243  0.46868944  0.10615700
   0.37865436  0.34915382  0.25263436
   0.06976956  0.16346172  0.48048096
   0.38447371  0.09421728  0.88418025
   0.17803538  0.38851026  0.60107754
   0.38311510  0.38262802  0.75307503
   0.17156435  0.73226361 -0.01047712
   0.40392832  0.61643925  0.36526067
   0.11148544  0.95759674  0.14569398
   0.35649278  0.88022538  0.26974446
   0.14756822  0.62932556  0.47322020
   0.38492324  0.70034394  0.82308700
   0.10013837  0.88674996  0.58347711
   0.38434109  0.95431043  0.67826642
   0.63190233  0.12345726  1.00271013
   0.84028082  0.16978970  0.34354215
   0.59389257  0.41472108  0.09140327
   0.88668134  0.39813008  0.17051177
   0.63110749  0.20756795  0.49398101
   0.89245558  0.13056917  0.87855593
   0.63643177  0.47050952  0.63568917
   0.80856905  0.40521638  0.77572728
   0.59202156  0.68055340 -0.01778790
   0.91093344  0.57752806  0.35253469
   0.61031051  0.90682828  0.14437011
   0.86385207  0.87482553  0.27062462
   0.65681911  0.67222989  0.46671032
   0.89158640  0.65018229  0.87608883
   0.68796813  0.90316025  0.59939173
   0.89579142  0.89822443  0.74107311
   0.13837412  0.11657854  0.11221092
   0.37618342  0.19201872  0.29317651
   0.16545186  0.35161555  0.02252845
   0.40138405  0.46096145  0.33880224
   0.51785083  0.35305951  0.18652581
   0.23659233  0.39729356  0.20080193
   0.22065428  0.11757529  0.43984240
  -0.02661077  0.22828584  0.39774321
  -0.00597040  0.02897950  0.53205361
   0.43087776  0.27271990  0.86171038
   0.07154050  0.26401395  0.56698218
   0.35960829  0.52845209  0.81420143
   0.51119815  0.34398275  0.68992063
   0.22796765  0.35374938  0.71047946
   0.24773671  0.12114422 -0.06512383
  -0.01439331  0.17445008  0.96359888
   0.22781204  0.60561692  0.06808219
   0.34833376  0.71498014  0.27770712
   0.17360248  0.87225747  0.05260183
   0.40425576  0.94868590  0.37195518
   0.45201146  0.92245961  0.17308413
   0.20097104  0.92560543  0.24585121
   0.31371908  0.65843485  0.45703761
   0.07225307  0.54066596  0.39896437
   0.30817353  0.38006377  0.53406562
   0.35607439  0.79617725  0.72308978
   0.09609762  0.78222801  0.49433616
   0.38717830  1.00893051  0.79450041
   0.52656019  0.90236811  0.62405430
   0.24779018  0.93531731  0.59987551
   0.27099250  0.76382086 -0.10460278
   0.02082421  0.70784111  0.93667031
   0.67393853  0.06086218  0.10668553
   0.82093599  0.22568805  0.22888354
   0.60075804  0.29170150  0.01623731
   0.86627851  0.44718942  0.28648157
   0.01408616  0.51132323  0.14877954
   0.75159016  0.48266831  0.10750702
   0.69781743  0.22387990  0.38612532
   0.47315186  0.17472775  0.47318875
   0.72772843  0.06173340  0.53723966
   0.87324583  0.24235567  0.79308291
   0.65596800  0.34231773  0.55168639
   0.90916008  0.49101639  0.84611113
   1.11484744  0.53636222  0.57043209
   0.81051712  0.45929075  0.66999263
   0.75285783  0.08984670  0.93192365
   0.50244156  0.04712690  0.96435540
   0.52087578  0.55240702  0.04098531
   0.93067168  0.72699028  0.29917555
   0.62273314  0.80326534  0.05399800
   0.84622586  0.99846136  0.34282206
   0.95087564  0.90985365  0.17095914
   0.70392034  0.84559002  0.23410573
   0.80227211  0.58864536  0.43568130
   0.56520569  0.66003550  0.36634323
   0.58512078  0.58921599  0.55231534
   0.83406090  0.76012383  0.80528500
   0.67723677  0.83160446  0.48545614
   0.96554587  0.99005288  0.82453791
   1.00946079  0.82794618  0.67031167
   0.76905379  0.98630200  0.69566010
   0.75237671  0.62512860  0.96033123
   0.53155135  0.72329613  0.87497374
   0.77319933  0.78531090  0.62918037
   0.83337388  1.06152294  0.53740366
   0.90475421  0.30498105  0.09708148
   0.81700157  1.14764387  0.17599740
   0.36828878  0.10204869  0.64282183
   0.38571742  0.30887825  0.53775639
   0.48352768  1.32073571 -0.09214360
  -0.22234365  1.55736890  0.02753534
   0.67205130  0.41362546  0.83636339
   0.60966424  0.57057286  0.71358639
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.766803    0.251430    0.007572
    -0.000000    9.638575    0.158495
    -0.000000    0.000000   13.969621
   Si   O    H 
    32    64    10
Direct configuration=  3615
   0.13665051  0.18900261  0.00600446
   0.36675720  0.11084698  0.39514718
   0.15906518  0.46893763  0.10513669
   0.37812859  0.34921573  0.25329453
   0.06991962  0.16451832  0.48087053
   0.38440806  0.09402739  0.88366209
   0.17874261  0.38872296  0.60057560
   0.38241537  0.38241545  0.75214644
   0.16988675  0.73135676 -0.01147817
   0.40329980  0.61650561  0.36541286
   0.11174774  0.95845625  0.14465095
   0.35641474  0.88002403  0.26886811
   0.14670125  0.63054663  0.47264834
   0.38525666  0.69956051  0.82323793
   0.09923307  0.88711123  0.58387573
   0.38392518  0.95370951  0.67775645
   0.63254877  0.12275476  1.00273205
   0.84044649  0.16842924  0.34388448
   0.59564060  0.41617848  0.09153079
   0.88740982  0.39863536  0.17092711
   0.63069329  0.20749378  0.49402928
   0.89207444  0.13122421  0.87749172
   0.63514638  0.46858298  0.63600747
   0.80970779  0.40485821  0.77582857
   0.59180589  0.68158536 -0.01729672
   0.91047197  0.57800490  0.35281755
   0.61006304  0.90665198  0.14476670
   0.86416036  0.87370371  0.27017409
   0.65805626  0.67127970  0.46646203
   0.89050399  0.64991856  0.87568817
   0.68742157  0.90271267  0.60037422
   0.89696879  0.89841152  0.74057184
   0.13590300  0.11482559  0.11129950
   0.37768748  0.19148677  0.29242285
   0.16581852  0.35136387  0.02236445
   0.40023710  0.45818522  0.33900258
   0.51760768  0.35455016  0.18627963
   0.23633567  0.39796604  0.20060665
   0.22155370  0.11887110  0.44125562
  -0.02724276  0.22744793  0.39835548
  -0.00476771  0.02878001  0.53182941
   0.42943128  0.27237527  0.86144519
   0.07029168  0.26511283  0.56768628
   0.35990772  0.52832632  0.81488294
   0.51139389  0.34355491  0.68916095
   0.22834566  0.35288703  0.71155363
   0.24624585  0.11909755 -0.06505484
  -0.01365444  0.17496934  0.96384589
   0.22933936  0.60625363  0.06727591
   0.34791210  0.71593706  0.27793719
   0.17174016  0.87139314  0.05241203
   0.40480320  0.94923995  0.37185148
   0.45235497  0.92259843  0.17375031
   0.20286620  0.92619313  0.24593321
   0.31361624  0.65732104  0.45754188
   0.07115382  0.53876339  0.40020622
   0.30994558  0.38034758  0.53331557
   0.35743549  0.79765477  0.72278365
   0.09656938  0.78347484  0.49510750
   0.38627090  1.00966861  0.79402916
   0.52659130  0.90198334  0.62469750
   0.24917211  0.93768561  0.60061009
   0.27073558  0.76300878 -0.10469247
   0.02145268  0.70893873  0.93645840
   0.67224125  0.06011627  0.10874213
   0.82011154  0.22532303  0.22907555
   0.60026727  0.29165946  0.01519721
   0.86636745  0.44855824  0.28735046
   0.01357856  0.51068265  0.15008169
   0.74988045  0.48236308  0.10666608
   0.69738157  0.22210860  0.38704397
   0.47319560  0.17495363  0.47346897
   0.72595455  0.06224425  0.53713789
   0.87425513  0.24097010  0.79197209
   0.65598161  0.34170503  0.55171967
   0.90966968  0.49165381  0.84485962
   1.11480769  0.53570076  0.56956132
   0.81083982  0.45805641  0.66958681
   0.75211550  0.08998642  0.93193549
   0.50041378  0.04496814  0.96459810
   0.52053500  0.55208004  0.04036243
   0.92940129  0.72855839  0.29891244
   0.62212868  0.80184933  0.05389525
   0.84689463  1.00028103  0.34302184
   0.95051973  0.90955599  0.17309071
   0.70410628  0.84745567  0.23321408
   0.80333536  0.59168691  0.43675694
   0.56431523  0.66019484  0.36857143
   0.58599379  0.59051315  0.55272240
   0.83645388  0.75843893  0.80476183
   0.67748648  0.83058191  0.48491848
   0.96310168  0.99022873  0.82404873
   1.00916467  0.82752822  0.66986457
   0.76982456  0.98688043  0.69485174
   0.75273322  0.62413787  0.96060597
   0.53118149  0.72512428  0.87569735
   0.77353671  0.78079907  0.62904691
   0.84779743  1.05730066  0.53924153
   0.91103278  0.30814207  0.09177039
   0.81872125  1.15071643  0.17975519
   0.36823803  0.10208709  0.64826651
   0.38514077  0.31318443  0.53878969
   0.48326620  1.32246722 -0.09178105
  -0.22137588  1.56556537  0.02704330
   0.66013775  0.42175118  0.83570581
   0.60473304  0.57685801  0.71439112
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.765649    0.252136    0.010660
    -0.000000    9.638943    0.161663
    -0.000000    0.000000   13.968010
   Si   O    H 
    32    64    10
Direct configuration=  3616
   0.13743164  0.18874159  0.00630014
   0.36943415  0.11080213  0.39440713
   0.15772635  0.46908446  0.10439758
   0.37744436  0.35038347  0.25363481
   0.07050873  0.16593338  0.48115850
   0.38423108  0.09424929  0.88330435
   0.17932165  0.38935276  0.59946112
   0.38223015  0.38252008  0.75120977
   0.16774333  0.73031097 -0.01253681
   0.40313251  0.61728708  0.36510696
   0.11242225  0.95908361  0.14410751
   0.35653564  0.87999741  0.26852690
   0.14643684  0.63223659  0.47200213
   0.38535843  0.69877659  0.82309598
   0.09729730  0.88798359  0.58429957
   0.38365038  0.95319773  0.67660131
   0.63282308  0.12144739  1.00226882
   0.84062124  0.16765686  0.34419001
   0.59737187  0.41731937  0.09127732
   0.88805274  0.39918073  0.17153693
   0.63083071  0.20682532  0.49461109
   0.89181121  0.13174404  0.87637255
   0.63371502  0.46671622  0.63600226
   0.81012999  0.40439024  0.77590009
   0.59108721  0.68245460 -0.01705278
   0.91091830  0.57846437  0.35313150
   0.61028692  0.90622292  0.14539047
   0.86413549  0.87243426  0.26943503
   0.65927457  0.67049402  0.46630026
   0.88942521  0.64911017  0.87593110
   0.68721112  0.90212483  0.60084888
   0.89777243  0.89858719  0.73992456
   0.13405302  0.11356853  0.11037355
   0.37915331  0.19063743  0.29143170
   0.16563819  0.35077215  0.02186953
   0.39919620  0.45571404  0.33939723
   0.51783194  0.35567508  0.18557038
   0.23717809  0.39875694  0.20065391
   0.22175596  0.12031424  0.44247694
  -0.02841377  0.22679616  0.39826311
  -0.00336079  0.02800650  0.53146348
   0.42740890  0.27179890  0.86042413
   0.06975947  0.26643961  0.56823992
   0.35992620  0.52858251  0.81511239
   0.51163534  0.34408027  0.68848780
   0.22804806  0.35329569  0.71158712
   0.24389527  0.11812835 -0.06491441
  -0.01311384  0.17532582  0.96416136
   0.23115860  0.60712293  0.06676481
   0.34770747  0.71632566  0.27797801
   0.16981301  0.87038683  0.05248673
   0.40491958  0.94934570  0.37192854
   0.45324383  0.92268590  0.17456169
   0.20362626  0.92690865  0.24599890
   0.31370948  0.65610893  0.45803082
   0.06975366  0.53635848  0.40038697
   0.31177645  0.38097014  0.53215046
   0.35837521  0.79737835  0.72233417
   0.09730882  0.78419143  0.49624913
   0.38503506  1.01060986  0.79440966
   0.52760684  0.90201808  0.62530051
   0.24991865  0.94067981  0.60155625
   0.27137775  0.76153608 -0.10451203
   0.02179393  0.70921849  0.93618968
   0.67051417  0.05907096  0.11037542
   0.81897500  0.22511386  0.22912073
   0.60071528  0.29171869  0.01419780
   0.86687676  0.45020726  0.28854774
   0.01290244  0.51004934  0.15112903
   0.74834840  0.48184738  0.10609106
   0.69667322  0.22033939  0.38803920
   0.47340726  0.17541603  0.47310327
   0.72427831  0.06362727  0.53716842
   0.87549299  0.24011829  0.79127973
   0.65605920  0.34152585  0.55182429
   0.91021939  0.49326261  0.84495509
   1.11468930  0.53527826  0.56891945
   0.81042225  0.45732534  0.66905235
   0.75137796  0.09006074  0.93148087
   0.49825238  0.04226430  0.96415762
   0.51971645  0.55233845  0.03990732
   0.92839923  0.72998823  0.29895305
   0.62125090  0.80018676  0.05377406
   0.84735855  1.00086797  0.34329245
   0.95108771  0.90998494  0.17443066
   0.70383024  0.84858685  0.23276072
   0.80382176  0.59392750  0.43764207
   0.56303831  0.66120836  0.37068061
   0.58676140  0.59103297  0.55303516
   0.83763303  0.75795454  0.80376451
   0.67770863  0.83049583  0.48378430
   0.96145027  0.99152194  0.82306192
   1.00860465  0.82668988  0.66943920
   0.77007250  0.98677382  0.69392883
   0.75366174  0.62218667  0.96091610
   0.53212454  0.72614670  0.87681462
   0.77152843  0.77627099  0.62835192
   0.85504165  1.05545251  0.54308026
   0.91959500  0.30673516  0.08647674
   0.81610817  1.16077898  0.18423438
   0.36553573  0.10632518  0.65466466
   0.38903145  0.31620660  0.53929720
   0.48286752  1.32452162 -0.09066689
  -0.22210213  1.57386672  0.02749976
   0.65371820  0.42722440  0.82988869
   0.60470557  0.57344834  0.71629068
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.763977    0.252602    0.014106
    -0.000000    9.639271    0.165241
    -0.000000    0.000000   13.966066
   Si   O    H 
    32    64    10
Direct configuration=  3617
   0.13812942  0.18852711  0.00612528
   0.37172364  0.11082299  0.39386808
   0.15715562  0.46840286  0.10400655
   0.37655182  0.35165753  0.25365412
   0.07110715  0.16736751  0.48146826
   0.38484226  0.09457455  0.88326135
   0.18022241  0.38979130  0.59850348
   0.38173509  0.38248459  0.75026292
   0.16570271  0.72978152 -0.01348857
   0.40349450  0.61817850  0.36472938
   0.11352097  0.95959901  0.14352125
   0.35713732  0.88034761  0.26860630
   0.14642011  0.63322314  0.47168162
   0.38517161  0.69827542  0.82294701
   0.09516034  0.88921792  0.58490316
   0.38333368  0.95291966  0.67519372
   0.63336008  0.12063603  1.00190217
   0.84072635  0.16642637  0.34475275
   0.59864126  0.41798027  0.09138123
   0.88843460  0.39985980  0.17204057
   0.63120144  0.20593772  0.49513889
   0.89193638  0.13176904  0.87529186
   0.63208469  0.46513878  0.63597554
   0.81088248  0.40352535  0.77657005
   0.59042562  0.68370945 -0.01686832
   0.91121992  0.57903778  0.35280994
   0.61052919  0.90585485  0.14605276
   0.86434022  0.87200132  0.26830881
   0.66076846  0.66967446  0.46632652
   0.88859270  0.64854121  0.87644258
   0.68741376  0.90121480  0.60103963
   0.89821961  0.89830515  0.73987028
   0.13203538  0.11199579  0.10996933
   0.38082304  0.19037344  0.29049383
   0.16648532  0.35120057  0.02226058
   0.39868311  0.45304403  0.33979570
   0.51884731  0.35732119  0.18398336
   0.23838476  0.39922770  0.20075585
   0.22116274  0.12155839  0.44371982
  -0.02895802  0.22781569  0.39772536
  -0.00165778  0.02658597  0.53120953
   0.42544338  0.27165299  0.85950435
   0.06960002  0.26852840  0.56939029
   0.35954584  0.52868304  0.81518401
   0.51156855  0.34456293  0.68775518
   0.22791304  0.35334932  0.71133662
   0.24164251  0.11703763 -0.06510590
  -0.01247842  0.17537534  0.96387231
   0.23297421  0.60734828  0.06559349
   0.34765925  0.71592910  0.27803769
   0.16835301  0.86982910  0.05252849
   0.40493496  0.94896333  0.37206576
   0.45384588  0.92253148  0.17549026
   0.20384928  0.92675832  0.24622867
   0.31348767  0.65493522  0.45793455
   0.06839161  0.53373211  0.39992433
   0.31357076  0.38161070  0.53117161
   0.35950203  0.79602002  0.72288646
   0.09887635  0.78526139  0.49707538
   0.38386068  1.01205693  0.79437070
   0.52859612  0.90177446  0.62596469
   0.25045414  0.94333748  0.60223410
   0.27088511  0.76158229 -0.10463888
   0.02231537  0.70874819  0.93586911
   0.66936172  0.05784989  0.11182493
   0.81759849  0.22613293  0.23002693
   0.60078134  0.29168532  0.01302594
   0.86723315  0.45100662  0.28927838
   0.01221420  0.50924975  0.15143582
   0.74771861  0.48030166  0.10560497
   0.69629295  0.21878576  0.38802698
   0.47418371  0.17527931  0.47250280
   0.72318347  0.06521395  0.53674527
   0.87623861  0.23869985  0.78995311
   0.65588713  0.34201675  0.55150377
   0.91074888  0.49474173  0.84499295
   1.11474800  0.53572721  0.56836114
   0.80902793  0.45760403  0.66809385
   0.75179335  0.08911452  0.93100107
   0.49618644  0.04010567  0.96334409
   0.51967483  0.55217345  0.03887209
   0.92764466  0.73142379  0.29945012
   0.62057093  0.79941544  0.05413895
   0.84782222  1.00184087  0.34333918
   0.95210214  0.91019641  0.17556363
   0.70380989  0.84960815  0.23240491
   0.80408552  0.59599901  0.43845553
   0.56156956  0.66092455  0.37267203
   0.58692617  0.59098620  0.55407084
   0.83910850  0.75865116  0.80218474
   0.67777034  0.83099701  0.48312765
   0.96049015  0.99265061  0.82263236
   1.00740246  0.82542453  0.66918376
   0.77058943  0.98788811  0.69360797
   0.75558118  0.62040287  0.96093739
   0.53317214  0.72640133  0.87743785
   0.76861822  0.77060227  0.62931251
   0.85692458  1.05192361  0.54631084
   0.92533693  0.30228751  0.08577559
   0.81693805  1.15335409  0.17472110
   0.36711249  0.10465950  0.65944105
   0.39328515  0.31442201  0.54178070
   0.48084662  1.32713246 -0.09432407
  -0.21980169  1.58328637  0.02582105
   0.65875645  0.43187649  0.82003808
   0.60640569  0.56309344  0.71633362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.762473    0.253118    0.017532
    -0.000000    9.639036    0.168942
    -0.000000    0.000000   13.964648
   Si   O    H 
    32    64    10
Direct configuration=  3618
   0.13847312  0.18887501  0.00620285
   0.37341507  0.11051162  0.39332704
   0.15771610  0.46789853  0.10381042
   0.37580752  0.35256070  0.25368942
   0.07203823  0.16884383  0.48170223
   0.38530655  0.09534771  0.88337506
   0.18112512  0.39005476  0.59754393
   0.38134605  0.38237908  0.74960622
   0.16452987  0.72908444 -0.01407471
   0.40316202  0.61909020  0.36434005
   0.11430221  0.95945792  0.14341758
   0.35773943  0.88070597  0.26887925
   0.14652055  0.63334339  0.47116984
   0.38494442  0.69817155  0.82296581
   0.09324400  0.89093074  0.58549753
   0.38283346  0.95287690  0.67360831
   0.63355632  0.12018512  1.00172772
   0.83997086  0.16584996  0.34507201
   0.59947542  0.41893864  0.09103218
   0.88857448  0.40042723  0.17186989
   0.63170514  0.20436469  0.49557195
   0.89216875  0.13128875  0.87482396
   0.63100136  0.46380591  0.63610909
   0.81173186  0.40261856  0.77714517
   0.58977429  0.68471622 -0.01717802
   0.91174674  0.57968146  0.35266438
   0.61108607  0.90519315  0.14666455
   0.86463709  0.87197349  0.26741051
   0.66150006  0.66902375  0.46614442
   0.88785374  0.64837636  0.87698982
   0.68740040  0.90034347  0.60103212
   0.89811842  0.89729315  0.73925714
   0.13049740  0.11097525  0.10907183
   0.38209760  0.19116889  0.28968456
   0.16687211  0.35197704  0.02243496
   0.39861497  0.45073607  0.34004363
   0.51965134  0.35875800  0.18217670
   0.23925043  0.40018338  0.20084549
   0.22059313  0.12309066  0.44419150
  -0.02884838  0.22936602  0.39741264
  -0.00069735  0.02541636  0.53073222
   0.42325323  0.27202012  0.85862712
   0.06983308  0.27153770  0.57067667
   0.35992815  0.52896535  0.81502163
   0.51179299  0.34559372  0.68691689
   0.22784932  0.35310747  0.71110193
   0.23983559  0.11567395 -0.06538206
  -0.01231066  0.17494122  0.96312781
   0.23473033  0.60818194  0.06420827
   0.34766380  0.71557036  0.27798843
   0.16652111  0.86947015  0.05250953
   0.40491405  0.94865079  0.37207190
   0.45319281  0.92263561  0.17678292
   0.20357163  0.92771929  0.24600646
   0.31342351  0.65362157  0.45763600
   0.06679746  0.53096535  0.39903162
   0.31518362  0.38189446  0.53005059
   0.36082498  0.79399589  0.72368868
   0.09997063  0.78646016  0.49768980
   0.38341146  1.01325816  0.79370810
   0.52986786  0.90244954  0.62625361
   0.24985752  0.94576054  0.60322049
   0.27076822  0.76081818 -0.10388052
   0.02299321  0.70838372  0.93554236
   0.66841232  0.05575600  0.11303805
   0.81690802  0.22655113  0.23059731
   0.60057777  0.29115673  0.01178590
   0.86726088  0.45173786  0.29028777
   0.01132257  0.50821975  0.15154635
   0.74692435  0.47908403  0.10584301
   0.69574400  0.21826833  0.38805500
   0.47498056  0.17504361  0.47162026
   0.72298897  0.06582884  0.53629418
   0.87562314  0.23867432  0.78836684
   0.65528850  0.34168344  0.55161350
   0.91132852  0.49457766  0.84514899
   1.11546031  0.53571210  0.56799151
   0.80706694  0.45779456  0.66689899
   0.75287634  0.08855482  0.92998967
   0.49519644  0.03802032  0.96273061
   0.51997073  0.55270846  0.03821638
   0.92702473  0.73151996  0.30059309
   0.61985614  0.79917375  0.05493558
   0.84928968  1.00133181  0.34379414
   0.95432051  0.91116233  0.17603578
   0.70496266  0.85059184  0.23193148
   0.80343911  0.59695466  0.43906738
   0.56000455  0.66145195  0.37385935
   0.58795646  0.59117463  0.55489215
   0.84067353  0.75999688  0.79961074
   0.67832762  0.83236718  0.48326093
   0.95902369  0.99360703  0.82220533
   1.00660039  0.82453368  0.66841341
   0.77084080  0.98908845  0.69376133
   0.75839678  0.61914112  0.96074454
   0.53372473  0.72678652  0.87839327
   0.76769950  0.76791084  0.62775639
   0.85319602  1.04579794  0.54686131
   0.92988306  0.29824831  0.09071730
   0.81045470  1.15113571  0.16859458
   0.37047110  0.10832977  0.66062914
   0.39255379  0.31635033  0.53968911
   0.47909587  1.32705998 -0.10000547
  -0.21846930  1.59137892  0.02651764
   0.66973380  0.43608457  0.81166310
   0.60814567  0.55668163  0.71642166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.760893    0.253760    0.021017
    -0.000000    9.638890    0.172832
    -0.000000    0.000000   13.962999
   Si   O    H 
    32    64    10
Direct configuration=  3619
   0.13878922  0.18948306  0.00599471
   0.37498147  0.11044110  0.39272696
   0.15860577  0.46741002  0.10368556
   0.37549135  0.35300993  0.25361798
   0.07287411  0.16983636  0.48147221
   0.38538324  0.09647079  0.88390122
   0.18175316  0.39040450  0.59639188
   0.38113641  0.38270876  0.74935531
   0.16402533  0.72883906 -0.01418720
   0.40333361  0.61961646  0.36401167
   0.11513482  0.95853355  0.14370940
   0.35811556  0.88097365  0.26907029
   0.14760311  0.63339631  0.47094285
   0.38461329  0.69830477  0.82263468
   0.09191726  0.89310956  0.58589352
   0.38287394  0.95268794  0.67208387
   0.63285149  0.11967468  1.00178427
   0.83910621  0.16504433  0.34527521
   0.60009071  0.41958432  0.09070623
   0.88845691  0.40144107  0.17210805
   0.63241065  0.20299253  0.49632856
   0.89222856  0.13022010  0.87477305
   0.63028767  0.46300966  0.63610997
   0.81216599  0.40220405  0.77734530
   0.58923330  0.68591708 -0.01810456
   0.91220108  0.58033213  0.35249272
   0.61145444  0.90546642  0.14688831
   0.86446933  0.87251213  0.26685798
   0.66209006  0.66880687  0.46632009
   0.88712848  0.64844454  0.87725200
   0.68762553  0.89958827  0.60071557
   0.89743769  0.89658654  0.73873653
   0.12934691  0.10969500  0.10816343
   0.38399188  0.19152470  0.28896480
   0.16704241  0.35228302  0.02285028
   0.39780388  0.44853071  0.34092513
   0.52064690  0.36002095  0.18065309
   0.23986791  0.40156552  0.20051872
   0.21976398  0.12487793  0.44402865
  -0.02852851  0.23092311  0.39651325
  -0.00023943  0.02444577  0.53036956
   0.42151569  0.27199721  0.85746001
   0.06977049  0.27428995  0.57242619
   0.36094316  0.52894302  0.81434559
   0.51163214  0.34594176  0.68574931
   0.22791644  0.35308623  0.71112324
   0.23787447  0.11423883 -0.06609923
  -0.01226532  0.17478379  0.96275467
   0.23497858  0.60867345  0.06292942
   0.34755637  0.71537840  0.27744801
   0.16429512  0.86802087  0.05213729
   0.40456280  0.94812846  0.37147846
   0.45271924  0.92234252  0.17825760
   0.20261611  0.92911901  0.24558826
   0.31340436  0.65328239  0.45727744
   0.06559835  0.52860928  0.39789615
   0.31651079  0.38184120  0.52859368
   0.36125223  0.79175468  0.72460926
   0.10071575  0.78743928  0.49854547
   0.38375041  1.01443110  0.79298694
   0.53060588  0.90327177  0.62682410
   0.24843637  0.94784740  0.60413260
   0.27083522  0.76024795 -0.10275262
   0.02304634  0.70776087  0.93539390
   0.66792587  0.05505816  0.11386063
   0.81643731  0.22656600  0.23072908
   0.60163233  0.29048505  0.01038873
   0.86759785  0.45250480  0.29069674
   0.01035029  0.50767999  0.15139351
   0.74697383  0.47697502  0.10583973
   0.69520013  0.21778277  0.38784579
   0.47645732  0.17419167  0.47083338
   0.72364510  0.06538317  0.53619682
   0.87408124  0.23846076  0.78652273
   0.65437385  0.34143850  0.55194191
   0.91160436  0.49313192  0.84563466
   1.11642245  0.53584798  0.56792965
   0.80579195  0.45845964  0.66599636
   0.75292834  0.08798140  0.92908712
   0.49506332  0.03590272  0.96225909
   0.52010694  0.55324390  0.03717143
   0.92663736  0.72968562  0.30203082
   0.61918557  0.79930378  0.05634543
   0.85060742  1.00058626  0.34454512
   0.95624649  0.91296987  0.17615805
   0.70570449  0.85077551  0.23170367
   0.80329421  0.59744304  0.43914828
   0.55841117  0.66205937  0.37513547
   0.58914646  0.59196140  0.55575843
   0.84203308  0.76132677  0.79703456
   0.67814058  0.83400867  0.48316468
   0.95744270  0.99432635  0.82220757
   1.00596927  0.82316570  0.66829408
   0.77088633  0.98925083  0.69408571
   0.76180005  0.61860686  0.96013638
   0.53428539  0.72716758  0.87985493
   0.76615648  0.76784111  0.62483034
   0.84313266  1.04299278  0.54430660
   0.92936928  0.29668703  0.10020519
   0.80275917  1.15538864  0.17073463
   0.38004847  0.11469903  0.65800741
   0.38840197  0.31924481  0.53401151
   0.47350835  1.32933765 -0.10206352
  -0.21481629  1.59459996  0.02926769
   0.67685781  0.43704484  0.80670643
   0.60753859  0.55525324  0.71812142
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.759270    0.254570    0.023983
    -0.000000    9.638950    0.176971
    -0.000000    0.000000   13.961193
   Si   O    H 
    32    64    10
Direct configuration=  3620
   0.13967836  0.19012188  0.00572554
   0.37601147  0.11017114  0.39268899
   0.15989977  0.46628461  0.10303294
   0.37612985  0.35357178  0.25361026
   0.07421357  0.17010791  0.48167455
   0.38538896  0.09767369  0.88456848
   0.18218021  0.39088782  0.59541075
   0.38039678  0.38230840  0.74933966
   0.16388156  0.72903104 -0.01432409
   0.40355714  0.61948933  0.36357039
   0.11545622  0.95760981  0.14435690
   0.35853607  0.88126270  0.26913445
   0.14829481  0.63332356  0.47084497
   0.38407982  0.69920559  0.82275236
   0.09100470  0.89494697  0.58588967
   0.38277730  0.95255850  0.67135678
   0.63213028  0.11949603  1.00242860
   0.83845989  0.16463492  0.34576879
   0.59999939  0.41961752  0.09043729
   0.88795163  0.40209442  0.17224959
   0.63343013  0.20157276  0.49686590
   0.89267207  0.12873712  0.87481318
   0.63022480  0.46204012  0.63593974
   0.81349078  0.40154595  0.77726044
   0.58865207  0.68612424 -0.01871822
   0.91292013  0.58047057  0.35289816
   0.61156401  0.90541960  0.14694131
   0.86378238  0.87334710  0.26650480
   0.66234634  0.66862998  0.46667697
   0.88751130  0.64900373  0.87732206
   0.68755473  0.89854118  0.60039500
   0.89607402  0.89628974  0.73832509
   0.12825963  0.10905701  0.10703352
   0.38622086  0.19196959  0.28863174
   0.16756393  0.35189184  0.02295410
   0.39748964  0.44687991  0.34216326
   0.52089962  0.36062412  0.17940221
   0.24101475  0.40228307  0.19996118
   0.21981548  0.12628042  0.44327029
  -0.02833127  0.23235177  0.39556877
   0.00004340  0.02362188  0.53001292
   0.41929607  0.27190094  0.85609626
   0.07004838  0.27691671  0.57409909
   0.36184515  0.52933059  0.81310491
   0.51142721  0.34665087  0.68482897
   0.22785625  0.35325092  0.71097501
   0.23673081  0.11302231 -0.06666285
  -0.01172984  0.17508025  0.96218828
   0.23486694  0.60961923  0.06163703
   0.34711472  0.71570961  0.27681770
   0.16177224  0.86645511  0.05201986
   0.40433681  0.94790110  0.37053902
   0.45224379  0.92168766  0.17982776
   0.20160813  0.93057435  0.24443460
   0.31167940  0.65267265  0.45698727
   0.06443048  0.52695918  0.39638679
   0.31708238  0.38195890  0.52691955
   0.36140496  0.78992059  0.72509114
   0.10125181  0.78833919  0.49932328
   0.38441121  1.01503319  0.79153134
   0.53004340  0.90383360  0.62769124
   0.24735060  0.94911461  0.60460747
   0.27154906  0.75993484 -0.10118194
   0.02136455  0.70803745  0.93516797
   0.66691390  0.05487093  0.11364432
   0.81642157  0.22621972  0.22989462
   0.60278187  0.29004964  0.00896781
   0.86811121  0.45371207  0.29062252
   0.00962004  0.50854640  0.15119409
   0.74787229  0.47570463  0.10614316
   0.69428195  0.21787465  0.38749455
   0.47702973  0.17336352  0.47037354
   0.72472760  0.06435709  0.53611322
   0.87226513  0.23984922  0.78528077
   0.65377862  0.34152624  0.55224571
   0.91163064  0.49133140  0.84622926
   1.11688536  0.53666257  0.56816145
   0.80472763  0.45888558  0.66516011
   0.75314379  0.08753605  0.92796855
   0.49511573  0.03436005  0.96206113
   0.51955635  0.55375411  0.03580696
   0.92650067  0.72686126  0.30304165
   0.61842065  0.79922331  0.05770919
   0.85142930  0.99949363  0.34551509
   0.95827743  0.91545439  0.17527217
   0.70693979  0.85164060  0.23171651
   0.80350832  0.59758163  0.43809809
   0.55708858  0.66243508  0.37611918
   0.58979173  0.59223424  0.55637526
   0.84244329  0.76200153  0.79468820
   0.67694854  0.83525553  0.48371364
   0.95667890  0.99470423  0.82156522
   1.00572200  0.82152078  0.66849398
   0.77096233  0.98916424  0.69414035
   0.76450116  0.61915307  0.95958366
   0.53480481  0.72845634  0.88060730
   0.76543468  0.76885746  0.62259755
   0.82646857  1.04734434  0.54043830
   0.92946857  0.29670224  0.11196212
   0.79776280  1.16473893  0.17924852
   0.38808618  0.11618400  0.65428320
   0.39608190  0.31283351  0.52887569
   0.47399387  1.33430433 -0.09911940
  -0.21086390  1.59422842  0.03293560
   0.67442817  0.43465237  0.80862371
   0.60296846  0.56010558  0.71766970
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757739    0.255577    0.026966
    -0.000000    9.639253    0.181011
    -0.000000    0.000000   13.959094
   Si   O    H 
    32    64    10
Direct configuration=  3621
   0.14014953  0.19085311  0.00556526
   0.37670692  0.11037088  0.39291968
   0.16146636  0.46542024  0.10250858
   0.37727414  0.35379004  0.25323176
   0.07499811  0.17067735  0.48239249
   0.38498223  0.09882213  0.88516423
   0.18294881  0.39094186  0.59466560
   0.37951234  0.38264576  0.74926752
   0.16394772  0.72965665 -0.01410643
   0.40448740  0.61927556  0.36337577
   0.11552395  0.95674053  0.14484138
   0.35891799  0.88149188  0.26893018
   0.14842749  0.63303300  0.47074800
   0.38267699  0.70022392  0.82292675
   0.09079715  0.89703733  0.58561833
   0.38328621  0.95326948  0.67067880
   0.63120311  0.11908947  1.00301917
   0.83818938  0.16440496  0.34630849
   0.59909205  0.41981372  0.08988103
   0.88694273  0.40258125  0.17318381
   0.63387369  0.20079536  0.49713641
   0.89299723  0.12731173  0.87485255
   0.62955016  0.46128165  0.63570217
   0.81500677  0.40109269  0.77702105
   0.58799630  0.68583814 -0.01896381
   0.91382037  0.58008910  0.35347698
   0.61200115  0.90527675  0.14666720
   0.86260786  0.87428372  0.26619272
   0.66244689  0.66911595  0.46715519
   0.88839401  0.64923058  0.87751731
   0.68793797  0.89818487  0.59967698
   0.89490217  0.89700848  0.73795873
   0.12772838  0.10946256  0.10555548
   0.38837244  0.19196993  0.28876495
   0.16805232  0.35119028  0.02339049
   0.39760561  0.44555974  0.34349607
   0.52045808  0.36111784  0.17816731
   0.24175031  0.40305716  0.19976161
   0.22067588  0.12734358  0.44218595
  -0.02939540  0.23370481  0.39477829
   0.00093542  0.02236665  0.52962593
   0.41791966  0.27271209  0.85486655
   0.07006912  0.27884328  0.57558388
   0.36342487  0.52956933  0.81193694
   0.51058251  0.34747210  0.68257577
   0.22793967  0.35271592  0.71091949
   0.23596878  0.11188971 -0.06748149
  -0.01187207  0.17625865  0.96126409
   0.23408665  0.61023267  0.06023149
   0.34660989  0.71638902  0.27577398
   0.15947053  0.86392472  0.05143627
   0.40337195  0.94744289  0.37009392
   0.45208643  0.92057256  0.18011004
   0.20144098  0.93266301  0.24310257
   0.31022925  0.65220833  0.45646874
   0.06366516  0.52637565  0.39536592
   0.31859949  0.38211798  0.52573150
   0.36194611  0.78772750  0.72563589
   0.10202471  0.78863082  0.49987288
   0.38532322  1.01556836  0.78972928
   0.52934315  0.90466760  0.62760062
   0.24630274  0.94972849  0.60496277
   0.27244833  0.76024343 -0.09960281
   0.01971860  0.70784983  0.93492583
   0.66637293  0.05480741  0.11322236
   0.81741997  0.22660571  0.22949324
   0.60320061  0.28901319  0.00769035
   0.86883437  0.45364088  0.29032148
   0.00945597  0.50851894  0.15129449
   0.74972157  0.47516205  0.10694921
   0.69344914  0.21799188  0.38716417
   0.47687489  0.17254341  0.46922912
   0.72600416  0.06364098  0.53696790
   0.87112158  0.24151914  0.78387383
   0.65234806  0.34019239  0.55237076
   0.91204839  0.49008947  0.84676824
   1.11778158  0.53756124  0.56871762
   0.80370884  0.45921248  0.66493300
   0.75314841  0.08689225  0.92714878
   0.49561225  0.03322931  0.96147248
   0.51906382  0.55251640  0.03496345
   0.92672289  0.72560200  0.30373758
   0.61727670  0.79998321  0.05877778
   0.85175509  0.99832223  0.34594105
   0.95921685  0.91817859  0.17452348
   0.70850617  0.85137275  0.23164172
   0.80436404  0.59876078  0.43750995
   0.55664546  0.66262651  0.37676784
   0.59003873  0.59250867  0.55706695
   0.84218109  0.76235638  0.79344665
   0.67631510  0.83553610  0.48419319
   0.95632421  0.99575605  0.82144160
   1.00555341  0.81966075  0.66921448
   0.77051764  0.98820423  0.69425381
   0.76693071  0.61978880  0.95943629
   0.53493848  0.72930805  0.88152156
   0.76611230  0.77008161  0.62176839
   0.81354195  1.05447077  0.53593826
   0.93431128  0.29417527  0.11751281
   0.79174474  1.16782565  0.18489996
   0.39358618  0.11383854  0.64838681
   0.39824648  0.31229393  0.52445665
   0.47203661  1.32759007 -0.09620049
  -0.20406781  1.59200216  0.03075589
   0.67050582  0.42537921  0.81520136
   0.59813681  0.56273705  0.71811265
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756190    0.256733    0.030249
    -0.000000    9.639742    0.184691
    -0.000000    0.000000   13.957196
   Si   O    H 
    32    64    10
Direct configuration=  3622
   0.14051000  0.19163683  0.00538176
   0.37739841  0.10979083  0.39307771
   0.16314108  0.46517572  0.10177739
   0.37889219  0.35371365  0.25282288
   0.07519522  0.17080916  0.48360350
   0.38438370  0.09954796  0.88550129
   0.18369069  0.39055388  0.59415276
   0.37873303  0.38293446  0.74945365
   0.16402665  0.73020057 -0.01381283
   0.40575194  0.61803122  0.36323058
   0.11631066  0.95544710  0.14523532
   0.35908347  0.88196474  0.26837786
   0.14826742  0.63258109  0.47076197
   0.38152690  0.70129014  0.82323972
   0.09028785  0.89910183  0.58501072
   0.38395663  0.95357108  0.66984322
   0.63048782  0.11833940  1.00375862
   0.83811909  0.16430502  0.34640156
   0.59830164  0.42031173  0.08876728
   0.88549855  0.40363497  0.17398026
   0.63426331  0.20025800  0.49721850
   0.89302203  0.12602828  0.87472016
   0.62931553  0.46033329  0.63541413
   0.81641443  0.40036018  0.77690955
   0.58799986  0.68564847 -0.01858004
   0.91491065  0.57929196  0.35416507
   0.61157769  0.90497781  0.14656630
   0.86156602  0.87516261  0.26618385
   0.66260902  0.66976065  0.46775074
   0.88883331  0.64977982  0.87757550
   0.68776378  0.89732704  0.59901887
   0.89324493  0.89781606  0.73812302
   0.12661672  0.11072206  0.10430294
   0.39002149  0.19193559  0.28866118
   0.16830174  0.35061431  0.02320778
   0.39821271  0.44506577  0.34523414
   0.51989665  0.36152784  0.17711497
   0.24209953  0.40373385  0.19893258
   0.22177863  0.12886228  0.44070169
  -0.03089905  0.23479829  0.39440432
   0.00172142  0.02231257  0.52876754
   0.41697508  0.27312522  0.85360129
   0.07015090  0.27976536  0.57708319
   0.36546611  0.52987349  0.81128835
   0.50942820  0.34790642  0.68072855
   0.22854363  0.35247677  0.71079938
   0.23587095  0.11133725 -0.06883449
  -0.01274451  0.17662781  0.96022760
   0.23287577  0.61010842  0.05904394
   0.34569396  0.71700592  0.27494957
   0.15671319  0.86234620  0.05111281
   0.40163005  0.94638209  0.37023800
   0.45270261  0.92007669  0.18025395
   0.20085321  0.93502742  0.24186671
   0.30819241  0.65164100  0.45591106
   0.06349367  0.52649824  0.39418321
   0.32020524  0.38123685  0.52472665
   0.36178875  0.78593445  0.72669396
   0.10319790  0.78927364  0.49964802
   0.38537652  1.01574581  0.78785239
   0.52902548  0.90463803  0.62784382
   0.24449937  0.95062232  0.60569032
   0.27345010  0.75920616 -0.09838287
   0.01763100  0.70799045  0.93441786
   0.66625144  0.05537411  0.11292899
   0.81830593  0.22814369  0.23085173
   0.60330646  0.28834761  0.00696839
   0.86896924  0.45277779  0.28980371
   0.00897278  0.50829227  0.15198523
   0.75140271  0.47441105  0.10804963
   0.69270541  0.21702186  0.38704298
   0.47654889  0.17160175  0.46802540
   0.72521817  0.06321515  0.53755246
   0.86920243  0.24362167  0.78287814
   0.65114076  0.33909849  0.55210921
   0.91235832  0.48893118  0.84728617
   1.11891461  0.53902173  0.56948498
   0.80315425  0.45974988  0.66504420
   0.75308503  0.08691078  0.92625416
   0.49692823  0.03218240  0.96046790
   0.51963772  0.55220653  0.03397018
   0.92670632  0.72542292  0.30417552
   0.61705393  0.79998030  0.06026060
   0.85159543  0.99726547  0.34597714
   0.95965644  0.92067420  0.17420826
   0.71032469  0.85094848  0.23201300
   0.80421355  0.59963195  0.43688703
   0.55678479  0.66275430  0.37707098
   0.59075704  0.59197052  0.55758097
   0.84119033  0.76180858  0.79285917
   0.67580127  0.83524245  0.48412322
   0.95586561  0.99645155  0.82197755
   1.00585589  0.81813441  0.66974495
   0.77026312  0.98627378  0.69440567
   0.76887770  0.62132867  0.96019944
   0.53421385  0.73067753  0.88202795
   0.76847590  0.77321109  0.62478508
   0.83899854  1.05896551  0.53474390
   0.94446424  0.29019078  0.11886077
   0.77783740  1.15734686  0.17854263
   0.39438177  0.10555872  0.64220583
   0.39465025  0.31671474  0.51876249
   0.46816679  1.31868036 -0.09861384
  -0.20155655  1.59048620  0.02200172
   0.66765330  0.41825575  0.82382781
   0.59806239  0.56783611  0.71860132
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754965    0.258392    0.033217
    -0.000000    9.640342    0.188024
    -0.000000    0.000000   13.955298
   Si   O    H 
    32    64    10
Direct configuration=  3623
   0.14045000  0.19254556  0.00521151
   0.37717802  0.10923320  0.39293147
   0.16485098  0.46566060  0.10160702
   0.38048173  0.35356391  0.25195086
   0.07551489  0.17154682  0.48440974
   0.38406556  0.09976917  0.88569125
   0.18489595  0.38991277  0.59351931
   0.37883257  0.38374232  0.74991143
   0.16435240  0.73101032 -0.01323384
   0.40681757  0.61661368  0.36303037
   0.11717583  0.95377204  0.14572903
   0.35883084  0.88151203  0.26802372
   0.14735515  0.63281109  0.47090700
   0.38044299  0.70256005  0.82313088
   0.09025745  0.90156141  0.58451852
   0.38530123  0.95385224  0.66909643
   0.63011087  0.11767449  1.00441454
   0.83870053  0.16413169  0.34587655
   0.59717828  0.42080710  0.08744549
   0.88381706  0.40429771  0.17471530
   0.63428794  0.19986416  0.49705689
   0.89283170  0.12565325  0.87420896
   0.62933753  0.45990228  0.63478949
   0.81780940  0.39939264  0.77664157
   0.58870692  0.68525294 -0.01822310
   0.91614884  0.57877933  0.35453790
   0.61118177  0.90510533  0.14620227
   0.86039225  0.87584126  0.26625991
   0.66275224  0.67020714  0.46852373
   0.88863746  0.65095941  0.87776118
   0.68839787  0.89751284  0.59831695
   0.89191197  0.89827041  0.73812696
   0.12576850  0.11195150  0.10340145
   0.39177258  0.19268489  0.28869360
   0.16877506  0.34994332  0.02268285
   0.39841957  0.44566983  0.34655827
   0.51876642  0.36071978  0.17651107
   0.24169801  0.40608928  0.19833487
   0.22331393  0.12952501  0.43911117
  -0.03240551  0.23518725  0.39420439
   0.00316020  0.02258809  0.52775120
   0.41661124  0.27360174  0.85246211
   0.06963876  0.28054758  0.57783918
   0.36712550  0.53083974  0.81051735
   0.50803429  0.34850878  0.67945081
   0.22951536  0.35261419  0.71057116
   0.23586189  0.11113326 -0.06992781
  -0.01319042  0.17747506  0.95923441
   0.23152481  0.60955954  0.05790989
   0.34506181  0.71668736  0.27423686
   0.15394142  0.86087815  0.05116845
   0.40002627  0.94552419  0.37019634
   0.45362219  0.91982527  0.18039044
   0.20006599  0.93731906  0.24122323
   0.30717412  0.65116849  0.45442256
   0.06420524  0.52752495  0.39300791
   0.32158056  0.38110884  0.52347840
   0.36177088  0.78447182  0.72759086
   0.10348386  0.78948940  0.49927331
   0.38453027  1.01644554  0.78679195
   0.52862794  0.90406460  0.62833548
   0.24290253  0.95199503  0.60612400
   0.27326856  0.75789518 -0.09724970
   0.01558880  0.70768386  0.93430786
   0.66569428  0.05635107  0.11142329
   0.81839412  0.22879045  0.23189430
   0.60286901  0.28855634  0.00610971
   0.86877782  0.45284435  0.28957018
   0.01009176  0.50811066  0.15228382
   0.75236528  0.47329628  0.10941515
   0.69256715  0.21584483  0.38710357
   0.47756251  0.17061688  0.46743144
   0.72515885  0.06239847  0.53836726
   0.86739331  0.24527939  0.78252269
   0.65119868  0.33774814  0.55174249
   0.91179532  0.48720478  0.84768397
   1.12064107  0.54019338  0.57017875
   0.80264881  0.46049314  0.66570569
   0.75313935  0.08644211  0.92508439
   0.49846249  0.03190761  0.95939197
   0.51957656  0.55216621  0.03347725
   0.92607396  0.72695999  0.30453645
   0.61638994  0.80006357  0.06147997
   0.85167383  0.99665677  0.34554525
   0.95963313  0.92230886  0.17366972
   0.71141200  0.85070778  0.23209790
   0.80441562  0.60066976  0.43614990
   0.55689332  0.66278541  0.37784187
   0.59169134  0.59122264  0.55826772
   0.84009221  0.76139870  0.79339038
   0.67569073  0.83501469  0.48371626
   0.95619408  0.99646297  0.82236222
   1.00593358  0.81717215  0.66987273
   0.77000428  0.98459881  0.69408376
   0.77010127  0.62252003  0.96050981
   0.53264719  0.73282930  0.88183467
   0.77109763  0.77607407  0.62798173
   0.85677354  1.06587388  0.53214807
   0.95383489  0.28930503  0.11808130
   0.76858440  1.15288747  0.17875531
   0.39456321  0.09589293  0.63684952
   0.39380845  0.31776194  0.51456477
   0.47024846  1.31409221 -0.09553912
  -0.19562537  1.58842453  0.02085305
   0.66866432  0.40955307  0.83049236
   0.59877817  0.56879201  0.71751730
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.753783    0.261009    0.036241
    -0.000000    9.640962    0.191326
    -0.000000    0.000000   13.953387
   Si   O    H 
    32    64    10
Direct configuration=  3624
   0.14019332  0.19305163  0.00524229
   0.37634290  0.10837615  0.39233318
   0.16569929  0.46689087  0.10137096
   0.38188936  0.35333880  0.25114855
   0.07544083  0.17302360  0.48524964
   0.38392679  0.09893813  0.88556195
   0.18621476  0.38941428  0.59317067
   0.37901411  0.38434596  0.75023626
   0.16522035  0.73224632 -0.01301178
   0.40694207  0.61531089  0.36303436
   0.11782749  0.95146289  0.14648770
   0.35841707  0.88092529  0.26761423
   0.14678516  0.63309639  0.47108855
   0.37969071  0.70328599  0.82305922
   0.08987072  0.90376570  0.58428349
   0.38607257  0.95430162  0.66920786
   0.62941510  0.11711061  1.00464689
   0.84002689  0.16454886  0.34499845
   0.59667005  0.42094728  0.08575140
   0.88214056  0.40480101  0.17539213
   0.63423983  0.19972156  0.49677375
   0.89245700  0.12543574  0.87380084
   0.62900786  0.45964202  0.63445327
   0.81901319  0.39877690  0.77681366
   0.58969223  0.68471298 -0.01792187
   0.91721316  0.57832357  0.35477070
   0.61062224  0.90534331  0.14587135
   0.85980770  0.87646810  0.26622072
   0.66253002  0.67062002  0.46896060
   0.88850051  0.65213403  0.87757553
   0.68901102  0.89816652  0.59767891
   0.89093366  0.89835586  0.73825342
   0.12572389  0.11281635  0.10278403
   0.39310789  0.19406321  0.28904677
   0.16865229  0.34964814  0.02195464
   0.39855597  0.44739601  0.34769043
   0.51810461  0.36064451  0.17631480
   0.24108688  0.40817119  0.19758962
   0.22479056  0.12965231  0.43803254
  -0.03313178  0.23531798  0.39423959
   0.00466268  0.02309128  0.52691535
   0.41530265  0.27397719  0.85136301
   0.06908287  0.28048656  0.57835570
   0.36891127  0.53269346  0.80961470
   0.50616343  0.34793539  0.67903519
   0.23014666  0.35284949  0.70996703
   0.23558625  0.11142164 -0.07084246
  -0.01269216  0.17880795  0.95808606
   0.22911997  0.60902048  0.05651049
   0.34517339  0.71638456  0.27332659
   0.15111038  0.85982752  0.05177306
   0.39747519  0.94463467  0.37019742
   0.45473436  0.91977435  0.18032034
   0.20021095  0.94006968  0.24094364
   0.30675151  0.65074870  0.45321772
   0.06536713  0.52827757  0.39189337
   0.32173360  0.38131308  0.52285682
   0.36187610  0.78323740  0.72813234
   0.10268913  0.78975814  0.49920700
   0.38465543  1.01696079  0.78551024
   0.52841399  0.90354567  0.62788708
   0.24134971  0.95385306  0.60696965
   0.27346733  0.75680693 -0.09660184
   0.01438495  0.70709656  0.93402814
   0.66575190  0.05757881  0.10947649
   0.81770974  0.22888346  0.23252492
   0.60163600  0.28854773  0.00537732
   0.86872341  0.45288751  0.28928720
   0.01230155  0.50793696  0.15167922
   0.75331142  0.47316662  0.11051487
   0.69255250  0.21504045  0.38697451
   0.47893753  0.16973601  0.46693230
   0.72632271  0.06200266  0.53886029
   0.86539413  0.24571476  0.78252620
   0.65157183  0.33632840  0.55102959
   0.91095683  0.48559480  0.84844866
   1.12149537  0.54124463  0.57058217
   0.80240999  0.46087008  0.66608613
   0.75240064  0.08613835  0.92449578
   0.50043119  0.03248977  0.95833839
   0.51955345  0.55167862  0.03327810
   0.92495126  0.72888933  0.30491256
   0.61561958  0.80028301  0.06234874
   0.85196259  0.99667828  0.34536270
   0.95886681  0.92353875  0.17327731
   0.71216950  0.85096151  0.23190798
   0.80504017  0.60152929  0.43502016
   0.55734333  0.66205998  0.37912983
   0.59191620  0.58950952  0.55904404
   0.83852801  0.76017580  0.79393933
   0.67503471  0.83502067  0.48325838
   0.95686102  0.99596974  0.82275340
   1.00535469  0.81761427  0.67047000
   0.76958712  0.98315920  0.69345852
   0.77038177  0.62397472  0.96127776
   0.53003600  0.73507584  0.88152434
   0.77290664  0.77658979  0.63224848
   0.86713956  1.06879358  0.53249292
   0.95722257  0.29413662  0.11519133
   0.76598573  1.16017574  0.18444975
   0.39409150  0.09477499  0.62947570
   0.40418390  0.31162788  0.51246906
   0.47367971  1.31461407 -0.09238936
  -0.18930908  1.58014420  0.02638453
   0.67201509  0.40200223  0.83045892
   0.59879821  0.56375813  0.71797568
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752810    0.263080    0.039537
    -0.000000    9.641414    0.194946
    -0.000000    0.000000   13.951769
   Si   O    H 
    32    64    10
Direct configuration=  3625
   0.14013529  0.19334693  0.00497807
   0.37523642  0.10799756  0.39199788
   0.16596490  0.46776891  0.10145601
   0.38267838  0.35289130  0.25018095
   0.07519052  0.17440881  0.48584405
   0.38372111  0.09787875  0.88476587
   0.18767238  0.38930773  0.59263592
   0.37935398  0.38547092  0.75069158
   0.16611008  0.73307935 -0.01325538
   0.40728731  0.61459840  0.36293296
   0.11831781  0.94913652  0.14716075
   0.35774376  0.88015745  0.26745471
   0.14579224  0.63350421  0.47165186
   0.37896567  0.70354954  0.82287246
   0.08939649  0.90546581  0.58420791
   0.38598638  0.95486114  0.66954793
   0.62870176  0.11704747  1.00462520
   0.84069996  0.16486833  0.34415811
   0.59609099  0.42153420  0.08412320
   0.88070382  0.40552016  0.17612383
   0.63451360  0.19976993  0.49639992
   0.89213655  0.12511291  0.87324454
   0.62891685  0.45963377  0.63431609
   0.81993887  0.39832679  0.77695734
   0.59117973  0.68448469 -0.01756045
   0.91750156  0.57772981  0.35484097
   0.61015500  0.90569857  0.14548997
   0.86030389  0.87684995  0.26619980
   0.66218279  0.67070227  0.46941478
   0.88841877  0.65302032  0.87712521
   0.68917313  0.89948478  0.59712888
   0.89071483  0.89716535  0.73859159
   0.12535261  0.11399975  0.10252749
   0.39380410  0.19543901  0.28892068
   0.16813616  0.34941817  0.02094253
   0.39929896  0.44850482  0.34868761
   0.51733978  0.36135176  0.17675891
   0.24062484  0.40867199  0.19663890
   0.22546240  0.12987426  0.43723422
  -0.03317409  0.23507516  0.39455113
   0.00526503  0.02383469  0.52694421
   0.41403959  0.27450679  0.85087412
   0.06888147  0.28023936  0.57823622
   0.37007016  0.53484623  0.80889834
   0.50389689  0.34781591  0.67922242
   0.23016556  0.35348123  0.70842446
   0.23442818  0.11155340 -0.07176203
  -0.01256151  0.18028817  0.95669760
   0.22640321  0.60777059  0.05489207
   0.34477396  0.71577003  0.27233376
   0.14900186  0.85975088  0.05319586
   0.39539702  0.94356120  0.37030593
   0.45598382  0.91990236  0.18067535
   0.20106088  0.94134406  0.24107088
   0.30689135  0.64999783  0.45196683
   0.06709722  0.52937794  0.39039866
   0.32152140  0.38114622  0.52265242
   0.36196855  0.78216457  0.72837406
   0.10228593  0.78958560  0.49881780
   0.38448598  1.01701980  0.78356904
   0.52863369  0.90255160  0.62734346
   0.23961884  0.95581793  0.60757795
   0.27243427  0.75575787 -0.09577192
   0.01401046  0.70638274  0.93408522
   0.66619912  0.05881821  0.10783707
   0.81660103  0.22763203  0.23285371
   0.60091346  0.28821135  0.00455310
   0.86829606  0.45288520  0.28906606
   0.01457051  0.50743401  0.15031544
   0.75353858  0.47328234  0.11122884
   0.69285918  0.21444924  0.38661771
   0.47973021  0.16821748  0.46678128
   0.72813301  0.06154223  0.53996423
   0.86497470  0.24531660  0.78327183
   0.65226522  0.33508703  0.55048180
   0.91114540  0.48465573  0.84917253
   1.12277731  0.54235646  0.57092094
   0.80138029  0.46119992  0.66607816
   0.75102652  0.08613412  0.92415400
   0.50209118  0.03337469  0.95726306
   0.52050431  0.55110779  0.03287990
   0.92412874  0.72995668  0.30478651
   0.61408066  0.79944245  0.06280420
   0.85210686  0.99711044  0.34512722
   0.95848287  0.92422275  0.17291714
   0.71209193  0.85129149  0.23189131
   0.80484338  0.60201327  0.43433329
   0.55816674  0.66130357  0.38006691
   0.59185139  0.58852250  0.55922336
   0.83668918  0.75886935  0.79494405
   0.67442460  0.83547465  0.48223809
   0.95644381  0.99446610  0.82301240
   1.00608994  0.81828356  0.67152661
   0.76913036  0.98187501  0.69264151
   0.76954191  0.62579876  0.96201397
   0.52811920  0.73672218  0.88183323
   0.77066507  0.77648353  0.63533878
   0.87201198  1.06576566  0.53548677
   0.95564772  0.29900435  0.11343106
   0.76615794  1.17260994  0.19267780
   0.39128424  0.10152514  0.62482437
   0.40833408  0.31171078  0.50976953
   0.47480885  1.31637318 -0.09515309
  -0.18683632  1.57330547  0.02815472
   0.67720215  0.39687399  0.82650664
   0.60106702  0.55585797  0.72007867
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752026    0.265454    0.042940
    -0.000000    9.642040    0.197972
    -0.000000    0.000000   13.950274
   Si   O    H 
    32    64    10
Direct configuration=  3626
   0.14016251  0.19332706  0.00454092
   0.37405547  0.10761921  0.39120144
   0.16627935  0.46776691  0.10145215
   0.38361273  0.35251736  0.24936036
   0.07492697  0.17660428  0.48657657
   0.38325639  0.09629401  0.88357065
   0.18939916  0.38961818  0.59215785
   0.37933311  0.38637675  0.75099994
   0.16704148  0.73464793 -0.01380303
   0.40708432  0.61436210  0.36316954
   0.11819322  0.94749781  0.14731973
   0.35678630  0.87965006  0.26759797
   0.14543516  0.63410529  0.47232757
   0.37859510  0.70409346  0.82288398
   0.08896192  0.90621714  0.58435636
   0.38570744  0.95565044  0.66985343
   0.62829575  0.11711780  1.00436157
   0.84165799  0.16512415  0.34380602
   0.59590072  0.42176711  0.08263160
   0.88021828  0.40631068  0.17648805
   0.63449937  0.19904634  0.49609615
   0.89180199  0.12570892  0.87232513
   0.62861972  0.45951769  0.63418124
   0.82025269  0.39845513  0.77679531
   0.59239256  0.68451695 -0.01731841
   0.91740395  0.57659781  0.35493423
   0.60999948  0.90611485  0.14565241
   0.86118314  0.87729197  0.26614279
   0.66154731  0.67096048  0.47012531
   0.88808336  0.65292637  0.87662601
   0.68914751  0.90099869  0.59678381
   0.89059871  0.89601682  0.73913991
   0.12594902  0.11462806  0.10275233
   0.39405406  0.19694413  0.28886824
   0.16745016  0.34995454  0.02010989
   0.39965922  0.45042655  0.34924233
   0.51586310  0.36239817  0.17710916
   0.24074789  0.40882744  0.19639469
   0.22499141  0.12947855  0.43665782
  -0.03308387  0.23452960  0.39582066
   0.00456634  0.02589718  0.52658640
   0.41263826  0.27485528  0.85091774
   0.06886716  0.27961228  0.57753419
   0.37130922  0.53634226  0.80889589
   0.50081400  0.34756738  0.68019028
   0.23110618  0.35407355  0.70676958
   0.23278421  0.11166424 -0.07258027
  -0.01269951  0.18121036  0.95522992
   0.22398714  0.60562746  0.05352193
   0.34354329  0.71449372  0.27156139
   0.14713004  0.85996679  0.05464619
   0.39380354  0.94249853  0.37095654
   0.45667876  0.91991052  0.18066997
   0.20251711  0.94268043  0.24118580
   0.30684645  0.64923171  0.45045870
   0.06936291  0.53042404  0.38944784
   0.32155138  0.38065988  0.52231639
   0.36222935  0.78172909  0.72776420
   0.10168889  0.78933851  0.49791909
   0.38397732  1.01679158  0.78187314
   0.52900170  0.90144809  0.62664153
   0.23791515  0.95845845  0.60825896
   0.27131729  0.75466650 -0.09507354
   0.01528445  0.70601788  0.93437593
   0.66690447  0.05920102  0.10626479
   0.81597236  0.22754125  0.23349563
   0.60037045  0.28867442  0.00422814
   0.86710431  0.45329287  0.28837506
   0.01653453  0.50691762  0.14844712
   0.75301080  0.47224932  0.11165199
   0.69312571  0.21363171  0.38613733
   0.47983812  0.16775797  0.46730257
   0.72990369  0.06108875  0.54090630
   0.86464072  0.24396988  0.78420720
   0.65338366  0.33379010  0.55013891
   0.91144069  0.48403709  0.84921288
   1.12416100  0.54307685  0.57164855
   0.79984097  0.46131673  0.66619364
   0.74886184  0.08660819  0.92422081
   0.50392938  0.03517353  0.95646447
   0.52228014  0.55116605  0.03225113
   0.92324404  0.73102685  0.30476618
   0.61316275  0.79759691  0.06318692
   0.85173066  0.99791411  0.34500033
   0.95763117  0.92484868  0.17296079
   0.71061460  0.85104111  0.23158248
   0.80418166  0.60279112  0.43361216
   0.55841608  0.66094014  0.38092550
   0.59114825  0.58815443  0.55885348
   0.83404263  0.75728491  0.79588307
   0.67399709  0.83641769  0.48086564
   0.95693421  0.99335465  0.82266209
   1.00695233  0.82007236  0.67192965
   0.76745694  0.98121444  0.69167929
   0.76845753  0.62775230  0.96295873
   0.52650601  0.73748646  0.88265693
   0.76506576  0.77271106  0.63398060
   0.87178663  1.06189678  0.53868043
   0.95290557  0.30765866  0.11492517
   0.75752985  1.17412953  0.19368902
   0.38873318  0.10632659  0.62465082
   0.40149917  0.31994890  0.51098581
   0.47175843  1.31770429 -0.10130159
  -0.19112779  1.57031099  0.02680907
   0.68106030  0.39141520  0.82242165
   0.60266345  0.54799258  0.72051053
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.751223    0.266884    0.046305
    -0.000000    9.642492    0.201283
    -0.000000    0.000000   13.948837
   Si   O    H 
    32    64    10
Direct configuration=  3627
   0.13929798  0.19408653  0.00363028
   0.37314333  0.10704522  0.39060664
   0.16638935  0.46754436  0.10146636
   0.38400741  0.35261809  0.24868656
   0.07505226  0.17862494  0.48730372
   0.38303737  0.09478559  0.88267873
   0.19198910  0.38935513  0.59187360
   0.37961691  0.38745753  0.75134937
   0.16671487  0.73591777 -0.01417778
   0.40670168  0.61429355  0.36352965
   0.11764718  0.94616574  0.14724427
   0.35549515  0.87847296  0.26760693
   0.14504393  0.63423011  0.47322159
   0.37848168  0.70511481  0.82278979
   0.08908181  0.90599543  0.58494317
   0.38603120  0.95601240  0.67012717
   0.62788312  0.11746969  1.00333620
   0.84312031  0.16537556  0.34358320
   0.59580505  0.42124073  0.08114787
   0.87985782  0.40685736  0.17706429
   0.63431663  0.19858462  0.49516987
   0.89088289  0.12667805  0.87150006
   0.62897157  0.45994996  0.63396199
   0.81993602  0.39889744  0.77648247
   0.59337742  0.68436041 -0.01732675
   0.91760992  0.57607587  0.35486097
   0.61039353  0.90658462  0.14606538
   0.86215725  0.87752089  0.26603577
   0.66113429  0.67124257  0.47042676
   0.88817836  0.65296881  0.87639475
   0.68949147  0.90215371  0.59641597
   0.89066561  0.89504924  0.73955438
   0.12703364  0.11417359  0.10345792
   0.39462253  0.19814676  0.28832311
   0.16716790  0.35011840  0.01909953
   0.40015473  0.45182393  0.34940719
   0.51470383  0.36361696  0.17752842
   0.24124412  0.40872266  0.19635291
   0.22391374  0.12897199  0.43716474
  -0.03212721  0.23354615  0.39733457
   0.00257525  0.02854361  0.52532014
   0.41124905  0.27553379  0.85100693
   0.06853635  0.27968051  0.57644514
   0.37176200  0.53728046  0.80898303
   0.49778375  0.34781772  0.68185298
   0.23109660  0.35407358  0.70542778
   0.23173106  0.11125929 -0.07335073
  -0.01247242  0.18212193  0.95397777
   0.22226779  0.60364361  0.05223587
   0.34230266  0.71393110  0.27098643
   0.14514329  0.86064008  0.05627182
   0.39285079  0.94166723  0.37127434
   0.45732607  0.91994157  0.18027311
   0.20452865  0.94319377  0.24141297
   0.30696633  0.64803813  0.44921701
   0.07160757  0.53214520  0.38873266
   0.32074196  0.38036976  0.52211074
   0.36250520  0.78189693  0.72644202
   0.10120173  0.78959621  0.49702022
   0.38312316  1.01683170  0.78055563
   0.52900404  0.90013889  0.62615244
   0.23565774  0.96063331  0.60906229
   0.26949151  0.75377735 -0.09483270
   0.01637635  0.70478827  0.93521838
   0.66731702  0.05918683  0.10587369
   0.81568320  0.22730002  0.23382272
   0.59853715  0.28900109  0.00383022
   0.86521278  0.45318668  0.28766987
   0.01868744  0.50701458  0.14630462
   0.75229648  0.47177122  0.11182155
   0.69321040  0.21221746  0.38615598
   0.48032398  0.16649650  0.46797138
   0.73147824  0.06186832  0.54122191
   0.86451575  0.24118594  0.78503035
   0.65454934  0.33191848  0.54993362
   0.91193331  0.48387362  0.84906695
   1.12548808  0.54378788  0.57242405
   0.79851127  0.45938403  0.66566806
   0.74699261  0.08732165  0.92458275
   0.50516187  0.03737956  0.95523248
   0.52294298  0.55082936  0.03153687
   0.92176989  0.73254052  0.30452691
   0.61192658  0.79494824  0.06330852
   0.85186441  0.99812614  0.34469194
   0.95682232  0.92572509  0.17303849
   0.70964131  0.85125049  0.23157688
   0.80349714  0.60350842  0.43308771
   0.55868506  0.66088868  0.38232001
   0.59065701  0.58774393  0.55806203
   0.83227507  0.75627728  0.79706705
   0.67362728  0.83756813  0.47971539
   0.95768950  0.99208641  0.82131721
   1.00766537  0.82206416  0.67197850
   0.76637420  0.98036949  0.69084288
   0.76755025  0.63022532  0.96449512
   0.52527704  0.73787008  0.88309944
   0.75757051  0.76698108  0.62936206
   0.87064845  1.05405026  0.54520301
   0.94760419  0.31385447  0.11707028
   0.74148566  1.17183364  0.19309242
   0.39061155  0.10857016  0.62800662
   0.39528898  0.32414337  0.51115934
   0.47236873  1.32151146 -0.10453799
  -0.20128749  1.56991921  0.02132669
   0.68158981  0.39094303  0.82117653
   0.60735001  0.54495725  0.72046444
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.750955    0.268241    0.050286
    -0.000000    9.642651    0.204514
    -0.000000    0.000000   13.947694
   Si   O    H 
    32    64    10
Direct configuration=  3628
   0.13836307  0.19450567  0.00237450
   0.37231098  0.10681905  0.39021473
   0.16600940  0.46750350  0.10153714
   0.38447736  0.35352128  0.24811070
   0.07509348  0.18036724  0.48756546
   0.38274382  0.09308777  0.88149705
   0.19390009  0.38891925  0.59218249
   0.37962082  0.38846091  0.75191261
   0.16608859  0.73688856 -0.01444170
   0.40619192  0.61392616  0.36398581
   0.11741694  0.94518528  0.14682891
   0.35474157  0.87698815  0.26734334
   0.14490423  0.63395056  0.47402081
   0.37903652  0.70582340  0.82259297
   0.08918867  0.90493396  0.58545269
   0.38680007  0.95685322  0.67046751
   0.62732539  0.11856736  1.00228306
   0.84438487  0.16525400  0.34362010
   0.59623945  0.41984596  0.08054005
   0.87957262  0.40767639  0.17763892
   0.63451527  0.19836217  0.49391713
   0.89037581  0.12747145  0.87099333
   0.62946432  0.45995775  0.63351834
   0.81969305  0.39970850  0.77587482
   0.59438861  0.68380049 -0.01720357
   0.91747356  0.57589345  0.35470495
   0.61123150  0.90660164  0.14639629
   0.86277439  0.87790466  0.26601971
   0.66136865  0.67135187  0.47066950
   0.88830713  0.65284673  0.87673443
   0.68962098  0.90298867  0.59597098
   0.89037062  0.89428686  0.74031799
   0.12867804  0.11340860  0.10441477
   0.39487437  0.19901817  0.28826942
   0.16773247  0.35041037  0.01885568
   0.40036397  0.45301235  0.34821278
   0.51404517  0.36510342  0.17740887
   0.24173848  0.40914484  0.19601800
   0.22195766  0.12945461  0.43751176
  -0.03016347  0.23227514  0.39916669
   0.00005318  0.03137122  0.52483856
   0.40944335  0.27574775  0.85121330
   0.06897897  0.27831666  0.57522406
   0.37251580  0.53796211  0.80877208
   0.49516674  0.34790514  0.68293845
   0.23089340  0.35344786  0.70468570
   0.23090260  0.11105014 -0.07387244
  -0.01235253  0.18264927  0.95273480
   0.22060217  0.60141637  0.05092505
   0.34124264  0.71227227  0.27015146
   0.14349643  0.86153474  0.05794957
   0.39267486  0.94133182  0.37152036
   0.45842867  0.91985061  0.18018834
   0.20578379  0.94409246  0.24189724
   0.30639459  0.64631791  0.44808210
   0.07353455  0.53450627  0.38840619
   0.31941241  0.38072539  0.52190791
   0.36227739  0.78277331  0.72472755
   0.10073037  0.78975296  0.49671039
   0.38255948  1.01751914  0.78003146
   0.52975205  0.89875230  0.62584688
   0.23311508  0.96320174  0.60993797
   0.26791131  0.75170906 -0.09487025
   0.01779103  0.70347520  0.93652245
   0.66788632  0.05935989  0.10607597
   0.81500933  0.22641047  0.23381389
   0.59757187  0.28942728  0.00351349
   0.86318630  0.45300025  0.28701859
   0.01973552  0.50733752  0.14416382
   0.75172269  0.47157275  0.11181050
   0.69266967  0.21123335  0.38645551
   0.47986632  0.16488792  0.46869107
   0.73341797  0.06253435  0.54158883
   0.86493666  0.23686151  0.78459183
   0.65497536  0.33079799  0.55009193
   0.91227588  0.48435633  0.84880500
   1.12664669  0.54358041  0.57252434
   0.79748778  0.45784010  0.66520888
   0.74563362  0.08829373  0.92466618
   0.50561006  0.03912064  0.95464146
   0.52374825  0.54969467  0.03073218
   0.92027156  0.73502034  0.30373238
   0.61072298  0.79311362  0.06307273
   0.85252699  0.99787906  0.34415204
   0.95573733  0.92657357  0.17343161
   0.70884423  0.85126456  0.23167808
   0.80188368  0.60429396  0.43320379
   0.55960305  0.66143408  0.38376041
   0.58932814  0.58701788  0.55664872
   0.83098622  0.75595165  0.79833422
   0.67352509  0.83803259  0.47930884
   0.95891942  0.98994786  0.82057397
   1.00926507  0.82425412  0.67237996
   0.76575075  0.98086143  0.69004701
   0.76750051  0.63191773  0.96586601
   0.52363693  0.73776006  0.88322580
   0.74998228  0.76293662  0.62387207
   0.86697444  1.04409345  0.54752091
   0.94195055  0.31011999  0.11651937
   0.73726860  1.17383059  0.19668665
   0.39043502  0.10734904  0.63184254
   0.40225240  0.31858244  0.51197967
   0.47587200  1.32895766 -0.10669847
  -0.21378456  1.56650455  0.01864586
   0.68020987  0.38963227  0.82180098
   0.60801508  0.54429186  0.71990392
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.750888    0.269393    0.053799
    -0.000000    9.642774    0.207640
    -0.000000    0.000000   13.946680
   Si   O    H 
    32    64    10
Direct configuration=  3629
   0.13710154  0.19472451  0.00117972
   0.37173365  0.10746057  0.38988880
   0.16493183  0.46683017  0.10137353
   0.38529171  0.35510111  0.24779447
   0.07523295  0.18213334  0.48751905
   0.38289211  0.09180788  0.88011412
   0.19556105  0.38865052  0.59250993
   0.37957130  0.39021678  0.75289712
   0.16499915  0.73772303 -0.01440917
   0.40541235  0.61388742  0.36411831
   0.11657056  0.94446303  0.14678477
   0.35343253  0.87555577  0.26695842
   0.14430508  0.63342541  0.47499262
   0.37884937  0.70703197  0.82232546
   0.08914954  0.90373429  0.58593736
   0.38790752  0.95758376  0.67086221
   0.62690401  0.12023194  1.00105526
   0.84486806  0.16451357  0.34381340
   0.59620072  0.41861896  0.08016960
   0.87987261  0.40889002  0.17818572
   0.63510888  0.19778831  0.49235057
   0.89005119  0.12818013  0.87094363
   0.62976553  0.46009900  0.63297352
   0.81854180  0.40027393  0.77484791
   0.59499333  0.68338717 -0.01733642
   0.91769123  0.57595186  0.35420987
   0.61194905  0.90568292  0.14652830
   0.86362980  0.87797326  0.26617129
   0.66100367  0.67223140  0.47125620
   0.88882235  0.65294657  0.87718148
   0.68929802  0.90282769  0.59546540
   0.89004141  0.89400370  0.74079198
   0.13025482  0.11228214  0.10575077
   0.39440981  0.19959408  0.28875915
   0.16752821  0.35146930  0.01839867
   0.39998113  0.45392168  0.34619036
   0.51396685  0.36620892  0.17700967
   0.24275973  0.40907738  0.19572307
   0.21939531  0.13012987  0.43770623
  -0.02867109  0.23141079  0.40104605
  -0.00251548  0.03441071  0.52507895
   0.40811248  0.27615935  0.85180402
   0.06970284  0.27766852  0.57436214
   0.37312206  0.53740427  0.80794577
   0.49350720  0.34867903  0.68391143
   0.23073068  0.35297837  0.70410075
   0.23097118  0.11109326 -0.07486019
  -0.01222495  0.18384002  0.95197191
   0.21997414  0.60063861  0.04932850
   0.33997199  0.71091034  0.26917048
   0.14245224  0.86210656  0.05917353
   0.39273924  0.94121854  0.37140104
   0.45977603  0.92036140  0.18027350
   0.20745745  0.94452331  0.24215026
   0.30477301  0.64550831  0.44788027
   0.07500045  0.53699322  0.38852967
   0.31745902  0.38106271  0.52196312
   0.36138924  0.78317467  0.72231583
   0.10053319  0.78933077  0.49661366
   0.38194642  1.01820136  0.78034120
   0.53052323  0.89794095  0.62515581
   0.23093401  0.96535728  0.61099222
   0.26701037  0.74972406 -0.09585703
   0.01911332  0.70260274  0.93745951
   0.66803817  0.05945549  0.10648569
   0.81355303  0.22585640  0.23340984
   0.59636328  0.29042037  0.00322238
   0.86127695  0.45366103  0.28689000
   0.02012246  0.50888412  0.14287009
   0.75087482  0.47188580  0.11133469
   0.69247521  0.21001436  0.38653914
   0.47950049  0.16358879  0.46945943
   0.73490615  0.06315523  0.54216839
   0.86557795  0.23265716  0.78449665
   0.65520476  0.32960310  0.55010396
   0.91294775  0.48501441  0.84807502
   1.12758776  0.54357231  0.57273836
   0.79653260  0.45623245  0.66456345
   0.74445723  0.08959852  0.92450421
   0.50522083  0.04082169  0.95444207
   0.52425773  0.54899569  0.02996231
   0.91921296  0.73693319  0.30350295
   0.60970035  0.79158112  0.06326533
   0.85312078  0.99710259  0.34328411
   0.95574863  0.92772424  0.17419348
   0.70757057  0.85167774  0.23146137
   0.80037248  0.60448028  0.43311901
   0.55952066  0.66243767  0.38414495
   0.58769994  0.58548225  0.55508311
   0.82940378  0.75534260  0.79959149
   0.67403704  0.83901927  0.47896719
   0.96067796  0.98767899  0.81967707
   1.01036589  0.82598215  0.67273669
   0.76684975  0.98149432  0.68944899
   0.76675882  0.63400693  0.96641566
   0.52304145  0.73844435  0.88345878
   0.74479109  0.76009187  0.61774376
   0.86071484  1.03815252  0.54524427
   0.93794484  0.30287857  0.11471284
   0.74482475  1.18090440  0.20140622
   0.39065487  0.10398260  0.63707113
   0.40262249  0.31655174  0.51456753
   0.47598835  1.33186984 -0.10863433
  -0.22423927  1.56242016  0.02160545
   0.68241134  0.38790230  0.82247099
   0.60336311  0.54410226  0.71891663
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.751200    0.270327    0.057533
    -0.000000    9.642886    0.210904
    -0.000000    0.000000   13.945275
   Si   O    H 
    32    64    10
Direct configuration=  3630
   0.13555056  0.19474930  0.00028198
   0.37073626  0.10869090  0.38953660
   0.16393455  0.46556493  0.10149609
   0.38606185  0.35661342  0.24800502
   0.07506875  0.18300247  0.48742706
   0.38260943  0.09010723  0.87902880
   0.19721375  0.38857302  0.59273752
   0.37914033  0.39149424  0.75406651
   0.16374899  0.73822556 -0.01436206
   0.40515017  0.61424853  0.36433153
   0.11564070  0.94434540  0.14673297
   0.35226358  0.87473111  0.26648890
   0.14426148  0.63314491  0.47561517
   0.37828384  0.70785617  0.82185840
   0.08889027  0.90248439  0.58603803
   0.38872876  0.95813496  0.67129724
   0.62634472  0.12218580  0.99967733
   0.84574229  0.16364253  0.34402090
   0.59609726  0.41737371  0.07976549
   0.88046543  0.40962531  0.17844834
   0.63578186  0.19669542  0.49093183
   0.88927188  0.12907736  0.87058984
   0.62933919  0.46091995  0.63284984
   0.81769652  0.40105093  0.77368538
   0.59547246  0.68296565 -0.01773074
   0.91792115  0.57655471  0.35374492
   0.61223634  0.90475308  0.14627837
   0.86414796  0.87759890  0.26610165
   0.66074937  0.67310840  0.47197210
   0.88913993  0.65325769  0.87810561
   0.68909173  0.90210522  0.59485843
   0.88906235  0.89337377  0.74147660
   0.13155917  0.11165292  0.10622183
   0.39396932  0.19930251  0.28980563
   0.16806923  0.35181687  0.01796376
   0.39905976  0.45397866  0.34398491
   0.51347916  0.36684219  0.17647424
   0.24433710  0.40822431  0.19509861
   0.21731352  0.13038624  0.43777610
  -0.02835620  0.23120465  0.40252661
  -0.00463909  0.03661980  0.52613003
   0.40751922  0.27636731  0.85199392
   0.07030068  0.27733539  0.57352367
   0.37400857  0.53670607  0.80779329
   0.49227332  0.34928934  0.68487592
   0.23080890  0.35302185  0.70420560
   0.23134273  0.10910886 -0.07578497
  -0.01252677  0.18499693  0.95148599
   0.22006407  0.60087770  0.04768540
   0.33893562  0.70946494  0.26870472
   0.14177223  0.86109128  0.05936542
   0.39373705  0.94168405  0.37093514
   0.45992724  0.92198474  0.18020052
   0.20869017  0.94537383  0.24235965
   0.30359409  0.64533070  0.44772514
   0.07612282  0.53950521  0.38832636
   0.31664294  0.38057646  0.52183423
   0.36058738  0.78312034  0.71958478
   0.10042191  0.78897407  0.49650319
   0.38157329  1.01924466  0.78045428
   0.53016498  0.89695462  0.62405542
   0.22834221  0.96734657  0.61224502
   0.26683762  0.74859374 -0.09805173
   0.02000941  0.70159874  0.93858482
   0.66858314  0.05917728  0.10662544
   0.81267786  0.22592237  0.23387417
   0.59592251  0.29118524  0.00320968
   0.85885054  0.45567235  0.28709386
   0.01852866  0.50996967  0.14193661
   0.75039745  0.47161405  0.11121463
   0.69301860  0.20892205  0.38620081
   0.47901191  0.16266974  0.47089007
   0.73646823  0.06385942  0.54240334
   0.86625341  0.22954221  0.78409324
   0.65477838  0.32904405  0.55076636
   0.91383649  0.48608186  0.84767765
   1.12847545  0.54216102  0.57310697
   0.79614395  0.45569699  0.66375481
   0.74351469  0.09070540  0.92405878
   0.50424707  0.04232735  0.95409510
   0.52455997  0.54796443  0.02908592
   0.91931900  0.73782987  0.30362008
   0.60926638  0.79128747  0.06348415
   0.85382995  0.99583928  0.34245896
   0.95574037  0.92785675  0.17448356
   0.70625698  0.85161391  0.23106894
   0.79953429  0.60387043  0.43350225
   0.55892446  0.66219994  0.38432979
   0.58666154  0.58431939  0.55358517
   0.82776389  0.75573734  0.79977827
   0.67408925  0.83953293  0.47913244
   0.96176760  0.98648575  0.81867000
   1.01142862  0.82737213  0.67321446
   0.76778264  0.98246869  0.68918897
   0.76643108  0.63714485  0.96649403
   0.52275816  0.73892849  0.88404493
   0.74532326  0.75862159  0.61143109
   0.85184679  1.03326604  0.54099034
   0.93276392  0.29427497  0.11566575
   0.74420319  1.18022401  0.20325483
   0.39434532  0.09783570  0.63995616
   0.39599244  0.31451281  0.51611719
   0.47542459  1.33035985 -0.10946227
  -0.23264466  1.55807436  0.02333438
   0.68205504  0.38832486  0.82341575
   0.59694268  0.54273102  0.71837764
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.751611    0.271057    0.061138
    -0.000000    9.643128    0.214414
    -0.000000    0.000000   13.944193
   Si   O    H 
    32    64    10
Direct configuration=  3631
   0.13389540  0.19478407 -0.00043818
   0.36922040  0.10937973  0.38925038
   0.16304355  0.46417465  0.10133961
   0.38679393  0.35918219  0.24797833
   0.07489767  0.18352033  0.48714258
   0.38218844  0.08916529  0.87828346
   0.19822224  0.38911939  0.59377152
   0.37856227  0.39217781  0.75467988
   0.16292059  0.73835738 -0.01395640
   0.40483181  0.61505831  0.36444622
   0.11476905  0.94493638  0.14684001
   0.35108989  0.87375049  0.26623063
   0.14439702  0.63248261  0.47611641
   0.37768267  0.70880545  0.82140221
   0.08836449  0.90147650  0.58643251
   0.38874804  0.95827896  0.67180134
   0.62566192  0.12443413  0.99836882
   0.84581719  0.16206379  0.34450474
   0.59583747  0.41553965  0.07944425
   0.88088238  0.40981315  0.17844488
   0.63725341  0.19603860  0.49005863
   0.88917832  0.12924232  0.87053783
   0.62907762  0.46123402  0.63248038
   0.81678119  0.40196358  0.77322193
   0.59663227  0.68272559 -0.01855750
   0.91838766  0.57767585  0.35334317
   0.61324305  0.90429584  0.14545471
   0.86410826  0.87712956  0.26579362
   0.65976414  0.67368554  0.47256238
   0.88896095  0.65286493  0.87869665
   0.68844444  0.90204027  0.59471291
   0.88854110  0.89262799  0.74278628
   0.13267199  0.11081719  0.10678434
   0.39378832  0.19954685  0.29083007
   0.16873193  0.35297924  0.01739641
   0.39747882  0.45357718  0.34131308
   0.51308048  0.36784163  0.17585289
   0.24549835  0.40788380  0.19452368
   0.21550060  0.13098480  0.43732018
  -0.02854901  0.23098373  0.40322344
  -0.00645981  0.03837386  0.52746869
   0.40671420  0.27671792  0.85251171
   0.07091816  0.27720462  0.57279356
   0.37501271  0.53627555  0.80782910
   0.49150127  0.34949431  0.68537679
   0.23042018  0.35286097  0.70472109
   0.23204974  0.10803406 -0.07658097
  -0.01321578  0.18635072  0.95051665
   0.21962340  0.60128605  0.04644566
   0.33783094  0.70758849  0.26788456
   0.14263524  0.85901084  0.05934703
   0.39524388  0.94191829  0.37094194
   0.45980115  0.92330522  0.18016566
   0.20857556  0.94638045  0.24233691
   0.30208873  0.64478264  0.44775888
   0.07699154  0.54188441  0.38853829
   0.31701391  0.37938724  0.52138933
   0.35973533  0.78288168  0.71753519
   0.10031290  0.78942943  0.49621659
   0.38125731  1.02061198  0.78086669
   0.53021314  0.89600220  0.62336611
   0.22597062  0.96890563  0.61305223
   0.26711629  0.74778020 -0.10056679
   0.01938432  0.70055909  0.93947419
   0.66837058  0.05807815  0.10682016
   0.81234920  0.22603811  0.23447096
   0.59543542  0.29237884  0.00353892
   0.85707243  0.45787044  0.28760714
   0.01643705  0.51038275  0.14061625
   0.74994341  0.47126130  0.11096359
   0.69487971  0.20754288  0.38551771
   0.47714519  0.16236724  0.47279922
   0.73811801  0.06456440  0.54205920
   0.86641202  0.22724777  0.78360029
   0.65532801  0.32860272  0.55190211
   0.91505632  0.48730691  0.84726119
   1.12874317  0.54090149  0.57349741
   0.79591834  0.45549342  0.66305914
   0.74254948  0.09137799  0.92359022
   0.50319575  0.04351559  0.95315095
   0.52525767  0.54654574  0.02815273
   0.92031501  0.73804069  0.30352190
   0.61021254  0.79062514  0.06395407
   0.85520024  0.99463541  0.34216678
   0.95595967  0.92849792  0.17509347
   0.70502036  0.85192466  0.23096116
   0.79860349  0.60292831  0.43396889
   0.55815205  0.66147128  0.38451745
   0.58535418  0.58327154  0.55267031
   0.82601216  0.75619422  0.80015436
   0.67468745  0.84050823  0.47970481
   0.96300264  0.98580239  0.81808399
   1.01153281  0.82840749  0.67402691
   0.76888918  0.98299405  0.68874934
   0.76557810  0.63938003  0.96724809
   0.52228765  0.73858849  0.88490216
   0.75022613  0.75510664  0.60814805
   0.84473100  1.03420085  0.53744809
   0.92810639  0.28742833  0.11771653
   0.73185346  1.16966837  0.20072527
   0.40017068  0.10206933  0.63762441
   0.39118283  0.30961069  0.51576263
   0.47153300  1.32328290 -0.10917004
  -0.23237097  1.55572466  0.02628709
   0.68375379  0.39073940  0.82487772
   0.59047683  0.55024322  0.71681799
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752093    0.272467    0.064636
    -0.000000    9.643418    0.217960
    -0.000000    0.000000   13.943328
   Si   O    H 
    32    64    10
Direct configuration=  3632
   0.13274664  0.19417592 -0.00117282
   0.36810993  0.10999471  0.38955644
   0.16216632  0.46360185  0.10114746
   0.38752537  0.36080803  0.24843244
   0.07503593  0.18350941  0.48681800
   0.38158456  0.08828279  0.87743299
   0.19873114  0.38957677  0.59469860
   0.37717464  0.39256769  0.75538371
   0.16251153  0.73738587 -0.01432325
   0.40412976  0.61591810  0.36405677
   0.11359107  0.94600995  0.14746705
   0.35109013  0.87301169  0.26588727
   0.14420944  0.63207590  0.47618796
   0.37690689  0.70941962  0.82131221
   0.08789173  0.90062228  0.58642218
   0.38849527  0.95790086  0.67192212
   0.62558449  0.12668703  0.99753051
   0.84571774  0.16006218  0.34518716
   0.59577574  0.41417986  0.07958204
   0.88209945  0.41036848  0.17832462
   0.63896661  0.19517308  0.48914160
   0.88945458  0.12846282  0.87028730
   0.62880053  0.46114356  0.63203299
   0.81577141  0.40262518  0.77248110
   0.59775779  0.68220388 -0.01961783
   0.91872018  0.57929842  0.35302423
   0.61436989  0.90346968  0.14425271
   0.86401913  0.87654394  0.26527120
   0.65862883  0.67383859  0.47352483
   0.88883364  0.65205019  0.87952100
   0.68849179  0.90176633  0.59457184
   0.88798740  0.89217741  0.74347801
   0.13422992  0.11035314  0.10662332
   0.39337030  0.20020187  0.29169805
   0.16984886  0.35464232  0.01604747
   0.39606467  0.45375801  0.33923100
   0.51312321  0.37008727  0.17550631
   0.24820253  0.40685287  0.19401509
   0.21404475  0.13209550  0.43605333
  -0.02876713  0.23138180  0.40312842
  -0.00815169  0.03884508  0.52868023
   0.40491548  0.27634125  0.85292702
   0.07206433  0.27792142  0.57267757
   0.37562783  0.53677205  0.80767630
   0.49196005  0.34908037  0.68574067
   0.23059137  0.35214802  0.70529350
   0.23281503  0.10702595 -0.07716735
  -0.01385318  0.18749133  0.94956632
   0.21884973  0.60252201  0.04483655
   0.33742345  0.70562698  0.26680930
   0.14326317  0.85619349  0.05848300
   0.39622129  0.94137705  0.37143501
   0.45978961  0.92422834  0.18022263
   0.20800890  0.94686589  0.24202992
   0.30101754  0.64355769  0.44795697
   0.07703298  0.54449363  0.38875431
   0.31654826  0.37817026  0.52044649
   0.35894598  0.78365345  0.71596159
   0.10050901  0.78950885  0.49619026
   0.38104634  1.02170589  0.78134027
   0.52985029  0.89535136  0.62282672
   0.22431857  0.96973409  0.61440006
   0.26684956  0.74768802 -0.10289671
   0.01894135  0.69953214  0.94080683
   0.66737776  0.05738621  0.10680373
   0.81126494  0.22590634  0.23466694
   0.59483690  0.29361756  0.00374699
   0.85512358  0.46037286  0.28836347
   0.01335402  0.51045292  0.13933064
   0.74910120  0.47036639  0.11045979
   0.69685095  0.20617020  0.38493214
   0.47498124  0.16214234  0.47384455
   0.73951280  0.06519572  0.54085850
   0.86642393  0.22638007  0.78254960
   0.65560373  0.32802053  0.55351413
   0.91592607  0.48818879  0.84722665
   1.12885476  0.54006540  0.57438237
   0.79630229  0.45524802  0.66264510
   0.74301210  0.09247260  0.92290148
   0.50099320  0.04415793  0.95262284
   0.52666168  0.54545402  0.02764368
   0.92192956  0.73699262  0.30356667
   0.61194847  0.78998704  0.06423385
   0.85682326  0.99360698  0.34174732
   0.95612678  0.92938783  0.17563416
   0.70443193  0.85260844  0.23130615
   0.79787016  0.60193073  0.43417766
   0.55683018  0.66076841  0.38451155
   0.58388091  0.58198086  0.55209504
   0.82448498  0.75609022  0.80009344
   0.67466652  0.84146367  0.48042709
   0.96410684  0.98511643  0.81868504
   1.01164212  0.82904327  0.67518359
   0.77024305  0.98328051  0.68871148
   0.76420000  0.64042722  0.96848214
   0.52230236  0.73844416  0.88587323
   0.75683341  0.75501504  0.60881603
   0.83944143  1.04132755  0.53391611
   0.92485701  0.28601345  0.12045830
   0.73073261  1.16253472  0.19886407
   0.40913819  0.10981742  0.63322822
   0.39003497  0.30560302  0.51447307
   0.47411216  1.32047348 -0.10621315
  -0.22598460  1.55902907  0.02911683
   0.68250427  0.39639444  0.82527721
   0.58682345  0.55466963  0.71647299
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752549    0.274367    0.067888
    -0.000000    9.643652    0.221507
    -0.000000    0.000000   13.942452
   Si   O    H 
    32    64    10
Direct configuration=  3633
   0.13127281  0.19403211 -0.00193821
   0.36717703  0.11030963  0.38958218
   0.16139234  0.46336233  0.10054215
   0.38814986  0.36199635  0.24869389
   0.07536688  0.18315008  0.48646151
   0.38042189  0.08790716  0.87643179
   0.19957091  0.39020952  0.59567620
   0.37593468  0.39287742  0.75637816
   0.16251233  0.73580008 -0.01452936
   0.40289503  0.61658450  0.36375659
   0.11304029  0.94702524  0.14853012
   0.35144400  0.87251661  0.26601953
   0.14413531  0.63182496  0.47619913
   0.37681580  0.70964395  0.82069784
   0.08692974  0.90005189  0.58628769
   0.38746173  0.95738990  0.67165259
   0.62614340  0.12860984  0.99660146
   0.84526406  0.15819863  0.34573446
   0.59605130  0.41254149  0.07973250
   0.88309274  0.41039065  0.17807585
   0.63999776  0.19391166  0.48806853
   0.89005879  0.12721511  0.87005717
   0.62805098  0.46056878  0.63141428
   0.81444618  0.40303697  0.77212867
   0.59911845  0.68203121 -0.02034181
   0.91958894  0.58148328  0.35256924
   0.61561793  0.90253662  0.14318803
   0.86356174  0.87576392  0.26462082
   0.65832551  0.67403151  0.47415101
   0.88929574  0.65122493  0.88017199
   0.68824558  0.90063761  0.59431107
   0.88716636  0.89173039  0.74383182
   0.13537246  0.10977427  0.10612593
   0.39271092  0.20105408  0.29262970
   0.17037389  0.35648750  0.01511503
   0.39550535  0.45443390  0.33725331
   0.51327614  0.37134501  0.17485473
   0.25059961  0.40592971  0.19309656
   0.21303250  0.13333658  0.43490580
  -0.02933941  0.23194103  0.40287485
  -0.00844182  0.03945548  0.52985643
   0.40283116  0.27634603  0.85346094
   0.07343590  0.27917964  0.57247768
   0.37567935  0.53750061  0.80795658
   0.49344812  0.34880343  0.68565707
   0.23064539  0.35160093  0.70629213
   0.23378406  0.10600755 -0.07777984
  -0.01484490  0.18855922  0.94867386
   0.21815168  0.60328086  0.04305949
   0.33766849  0.70382666  0.26643741
   0.14396695  0.85458132  0.05693725
   0.39681514  0.94151393  0.37222096
   0.45979187  0.92570542  0.18071034
   0.20722636  0.94677914  0.24140393
   0.29986870  0.64281231  0.44861690
   0.07678324  0.54670301  0.38892208
   0.31685028  0.37702652  0.51925888
   0.35859966  0.78436206  0.71386388
   0.10116508  0.79100129  0.49635510
   0.38140875  1.02191212  0.78104185
   0.52863802  0.89536505  0.62231326
   0.22256708  0.97025969  0.61506363
   0.26714599  0.74853223 -0.10518319
   0.01824443  0.69729026  0.94197292
   0.66587895  0.05701955  0.10674003
   0.80897087  0.22470257  0.23486948
   0.59431467  0.29314136  0.00430479
   0.85347677  0.46381413  0.28940662
   0.01028383  0.51009564  0.13849197
   0.74895618  0.46912009  0.11007274
   0.69895653  0.20539854  0.38400444
   0.47337291  0.16243332  0.47462963
   0.74029065  0.06564957  0.54018046
   0.86646683  0.22704327  0.78090075
   0.65514622  0.32779945  0.55432279
   0.91711156  0.48943066  0.84702177
   1.12893400  0.53971729  0.57526649
   0.79719124  0.45417278  0.66221639
   0.74349087  0.09339060  0.92246125
   0.49851327  0.04442291  0.95216281
   0.52802147  0.54429353  0.02686773
   0.92437997  0.73607174  0.30338312
   0.61326649  0.78971317  0.06463907
   0.85836304  0.99351486  0.34215402
   0.95587841  0.93022853  0.17647775
   0.70432396  0.85288242  0.23146384
   0.79753545  0.60070305  0.43472718
   0.55494046  0.65996069  0.38399834
   0.58218228  0.58029154  0.55174688
   0.82368537  0.75586932  0.80010786
   0.67456361  0.84196398  0.48151010
   0.96544736  0.98491187  0.81945695
   1.01124243  0.82842383  0.67629513
   0.77138999  0.98261906  0.68874493
   0.76207629  0.64081079  0.96996634
   0.52263474  0.73781047  0.88674884
   0.76391118  0.75599161  0.61278351
   0.84150325  1.04763844  0.53353899
   0.92484895  0.28731696  0.12075621
   0.73814940  1.16074899  0.19764045
   0.41263720  0.10914708  0.63204746
   0.38995848  0.29991194  0.51296265
   0.48194706  1.31312212 -0.10174041
  -0.22114755  1.56258062  0.03443994
   0.68069203  0.40175126  0.82557782
   0.58718144  0.55832190  0.71235135
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752918    0.275559    0.071155
    -0.000000    9.643967    0.224791
    -0.000000    0.000000   13.941622
   Si   O    H 
    32    64    10
Direct configuration=  3634
   0.12978354  0.19349722 -0.00310480
   0.36583630  0.11085210  0.38963057
   0.16129488  0.46312114  0.10012446
   0.38899331  0.36246359  0.24893882
   0.07517760  0.18216824  0.48627083
   0.37961645  0.08775454  0.87551869
   0.20014249  0.39028366  0.59655959
   0.37430307  0.39324500  0.75738900
   0.16275317  0.73357154 -0.01540989
   0.40170354  0.61727993  0.36326807
   0.11261523  0.94829080  0.14946386
   0.35179182  0.87199336  0.26612428
   0.14376010  0.63117301  0.47598118
   0.37763528  0.71019059  0.81956897
   0.08616330  0.89956257  0.58608281
   0.38660173  0.95724536  0.67119096
   0.62672892  0.13070199  0.99583172
   0.84430112  0.15613426  0.34639441
   0.59552251  0.41144179  0.08012101
   0.88398878  0.40988882  0.17782354
   0.64101094  0.19260818  0.48730178
   0.89075171  0.12532710  0.87058518
   0.62697185  0.46050504  0.63020117
   0.81321036  0.40285797  0.77191074
   0.59962838  0.68141346 -0.02076270
   0.92036195  0.58346536  0.35248569
   0.61624182  0.90201580  0.14240841
   0.86253297  0.87540666  0.26372242
   0.65812591  0.67446722  0.47475104
   0.89007021  0.64987443  0.88105454
   0.68791927  0.89957125  0.59410770
   0.88612431  0.89102017  0.74373724
   0.13634979  0.10992249  0.10542335
   0.39224436  0.20160380  0.29336312
   0.17040362  0.35734794  0.01394146
   0.39496698  0.45520218  0.33579736
   0.51405106  0.37232231  0.17415474
   0.25190700  0.40472071  0.19263098
   0.21161312  0.13478849  0.43371579
  -0.03015916  0.23293254  0.40212451
  -0.00811133  0.03920574  0.53106168
   0.40044650  0.27644072  0.85389588
   0.07468453  0.28119208  0.57272075
   0.37528804  0.53834658  0.80821622
   0.49480165  0.34881180  0.68555628
   0.23064025  0.35091364  0.70786075
   0.23452737  0.10472268 -0.07799079
  -0.01546095  0.18985348  0.94753544
   0.21817916  0.60343250  0.04213910
   0.33789402  0.70250027  0.26656842
   0.14497880  0.85315605  0.05591712
   0.39716963  0.94190184  0.37228863
   0.45905299  0.92740758  0.18141955
   0.20581186  0.94635820  0.24076529
   0.29868374  0.64250164  0.44932098
   0.07662824  0.54928658  0.38876160
   0.31798401  0.37606393  0.51801634
   0.35895907  0.78430194  0.71258717
   0.10207298  0.79200936  0.49687935
   0.38136740  1.02178069  0.78058541
   0.52713418  0.89546739  0.62241397
   0.22194961  0.97138391  0.61575330
   0.26645016  0.74934342 -0.10701735
   0.01732406  0.69528385  0.94316240
   0.66504211  0.05717535  0.10595934
   0.80605733  0.22347640  0.23515703
   0.59388969  0.29318320  0.00457640
   0.85170160  0.46698855  0.29024746
   0.00809199  0.51013315  0.13781149
   0.74913707  0.46825610  0.10961898
   0.70170420  0.20427706  0.38297133
   0.47176876  0.16201945  0.47497594
   0.74012244  0.06608660  0.53866107
   0.86538890  0.22896711  0.77898319
   0.65486001  0.32727450  0.55514603
   0.91805819  0.49169176  0.84648862
   1.12934165  0.53940166  0.57578444
   0.79797078  0.45353869  0.66232526
   0.74427089  0.09366732  0.92161323
   0.49647614  0.04531537  0.95174439
   0.52826471  0.54383478  0.02561702
   0.92712856  0.73511612  0.30303142
   0.61504777  0.78881476  0.06431498
   0.86014632  0.99334971  0.34285288
   0.95581050  0.93026558  0.17661842
   0.70501164  0.85345522  0.23201366
   0.79748509  0.59880737  0.43539489
   0.55344116  0.65925741  0.38314979
   0.58080645  0.57905900  0.55145693
   0.82243602  0.75529247  0.80042283
   0.67379533  0.84221665  0.48225760
   0.96628073  0.98478262  0.82002191
   1.01012473  0.82736681  0.67674648
   0.77279774  0.98144086  0.68914108
   0.75978991  0.64125349  0.97145802
   0.52155952  0.73717218  0.88780588
   0.76630860  0.76494508  0.61571946
   0.84877396  1.05184270  0.53292962
   0.92995652  0.29041885  0.12120639
   0.75454737  1.16505434  0.19863768
   0.41587970  0.10222939  0.63311518
   0.38741264  0.29370833  0.51027734
   0.48124402  1.30489782 -0.09959468
  -0.21794975  1.56737408  0.03668310
   0.68340812  0.40803249  0.82411801
   0.59089920  0.55475431  0.70886333
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.753443    0.276383    0.074924
    -0.000000    9.644291    0.228017
    -0.000000    0.000000   13.940886
   Si   O    H 
    32    64    10
Direct configuration=  3635
   0.12883819  0.19356165 -0.00403911
   0.36446028  0.11119767  0.38979349
   0.16147640  0.46323473  0.10019055
   0.39016983  0.36206989  0.24918811
   0.07443331  0.18115618  0.48624243
   0.37875862  0.08779979  0.87491049
   0.20084283  0.39005016  0.59782282
   0.37310764  0.39352849  0.75826399
   0.16292715  0.73071720 -0.01635008
   0.40138939  0.61780616  0.36273245
   0.11267103  0.94991452  0.15010106
   0.35276569  0.87129443  0.26609387
   0.14307281  0.63098929  0.47577752
   0.37817676  0.70971188  0.81838919
   0.08497551  0.89869458  0.58614811
   0.38557583  0.95717571  0.67049017
   0.62704840  0.13210547  0.99515218
   0.84394241  0.15446957  0.34660616
   0.59530721  0.41019511  0.08101489
   0.88433368  0.40891761  0.17770078
   0.64145692  0.19202536  0.48698715
   0.89120660  0.12415708  0.87085578
   0.62624504  0.46063400  0.62948846
   0.81220312  0.40236486  0.77160715
   0.60063679  0.68074336 -0.02133339
   0.92019327  0.58496316  0.35235975
   0.61658745  0.90161483  0.14164454
   0.86169323  0.87499516  0.26305790
   0.65786110  0.67453611  0.47555521
   0.89001444  0.64916694  0.88153666
   0.68786062  0.89854969  0.59406501
   0.88560312  0.88991527  0.74397930
   0.13794344  0.11026206  0.10429309
   0.39195980  0.20243909  0.29401706
   0.17056555  0.35713002  0.01293738
   0.39526973  0.45646170  0.33469658
   0.51507187  0.37194677  0.17317944
   0.25320785  0.40392737  0.19193723
   0.20964888  0.13618888  0.43219030
  -0.03126285  0.23357702  0.40094608
  -0.00693767  0.03901551  0.53212015
   0.39961333  0.27588677  0.85479642
   0.07550474  0.28262772  0.57327120
   0.37485175  0.53957176  0.80819294
   0.49708548  0.34913458  0.68543750
   0.23089363  0.35073815  0.70901246
   0.23399220  0.10356941 -0.07796253
  -0.01661059  0.19112143  0.94673627
   0.21753698  0.60338958  0.04207108
   0.33860330  0.70149018  0.26689824
   0.14613047  0.85216042  0.05482484
   0.39709109  0.94296057  0.37118365
   0.45786937  0.92904088  0.18230601
   0.20457936  0.94600756  0.24045234
   0.29810623  0.64178117  0.45004121
   0.07574747  0.55111501  0.38858369
   0.32004996  0.37554086  0.51691291
   0.35994604  0.78442043  0.71122804
   0.10357241  0.79270965  0.49754902
   0.38094542  1.02096888  0.77994544
   0.52569398  0.89558260  0.62287281
   0.22178522  0.97221744  0.61617925
   0.26509402  0.75093128 -0.10868717
   0.01664632  0.69364268  0.94391691
   0.66446290  0.05694541  0.10440243
   0.80437254  0.22306469  0.23597859
   0.59357718  0.29240078  0.00411072
   0.84912470  0.46925803  0.29107966
   0.00619456  0.51010378  0.13740934
   0.74914888  0.46719681  0.10909225
   0.70334253  0.20321005  0.38163634
   0.47042333  0.16128092  0.47502820
   0.73997349  0.06699951  0.53667098
   0.86416522  0.23114802  0.77721749
   0.65528075  0.32651709  0.55548038
   0.91812252  0.49428293  0.84571266
   1.12968086  0.53906434  0.57622626
   0.79867953  0.45319215  0.66281172
   0.74562721  0.09311018  0.92059041
   0.49483274  0.04642051  0.95139456
   0.52812948  0.54346753  0.02456250
   0.93003230  0.73358970  0.30299480
   0.61677568  0.78793208  0.06407939
   0.86237670  0.99266020  0.34410850
   0.95571823  0.93042338  0.17735402
   0.70663448  0.85379686  0.23287284
   0.79737415  0.59751623  0.43614197
   0.55245930  0.65783342  0.38231976
   0.58002011  0.57798756  0.55203772
   0.82019688  0.75512612  0.80074658
   0.67344866  0.84214699  0.48294257
   0.96706175  0.98481882  0.82074989
   1.00847696  0.82692742  0.67641683
   0.77336331  0.98020611  0.68991720
   0.75760314  0.64150719  0.97220940
   0.51961131  0.73614345  0.88815849
   0.76954760  0.77398813  0.62146161
   0.85816435  1.05189478  0.53840324
   0.93586330  0.29443255  0.12039284
   0.76319217  1.16151800  0.19390862
   0.41725390  0.09186214  0.63469265
   0.38130152  0.29159121  0.50811129
   0.47209531  1.29586550 -0.10284065
  -0.21830808  1.57152073  0.03661220
   0.68489852  0.41283140  0.82481254
   0.59732786  0.55320765  0.70975124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.753865    0.277221    0.079004
    -0.000000    9.644482    0.230635
    -0.000000    0.000000   13.939527
   Si   O    H 
    32    64    10
Direct configuration=  3636
   0.12819180  0.19328765 -0.00504677
   0.36274000  0.11165039  0.38962549
   0.16155106  0.46399292  0.10048449
   0.39112622  0.36119185  0.24937428
   0.07320749  0.17962451  0.48620455
   0.37807436  0.08816436  0.87469334
   0.20119253  0.38995782  0.59892865
   0.37206489  0.39338328  0.75874470
   0.16333347  0.72857928 -0.01686819
   0.40082936  0.61831451  0.36207024
   0.11286493  0.95175135  0.15069542
   0.35317557  0.87044747  0.26625579
   0.14257547  0.63090578  0.47621850
   0.37848394  0.70877263  0.81739339
   0.08438457  0.89769578  0.58598392
   0.38412296  0.95653644  0.67006193
   0.62685790  0.13322117  0.99433700
   0.84317628  0.15295710  0.34679250
   0.59494502  0.40919681  0.08166070
   0.88459827  0.40862381  0.17770956
   0.64139157  0.19192131  0.48697676
   0.89196589  0.12299293  0.87053166
   0.62570744  0.46070947  0.62891751
   0.81197053  0.40153410  0.77138835
   0.60094436  0.67984210 -0.02181159
   0.92029566  0.58667335  0.35257866
   0.61604269  0.90158082  0.14123230
   0.86119615  0.87420216  0.26245796
   0.65721393  0.67494975  0.47660585
   0.89005210  0.64852328  0.88202561
   0.68748714  0.89757794  0.59417209
   0.88519478  0.88870923  0.74401974
   0.13932562  0.11030099  0.10320148
   0.39180651  0.20387011  0.29431719
   0.17064037  0.35614169  0.01144904
   0.39590002  0.45896294  0.33476681
   0.51590840  0.37188684  0.17274436
   0.25361782  0.40291458  0.19061612
   0.20918521  0.13824535  0.43016105
  -0.03286824  0.23344880  0.39943390
  -0.00553042  0.03829498  0.53308578
   0.39796167  0.27499852  0.85540881
   0.07617901  0.28473405  0.57336894
   0.37354127  0.53950514  0.80737293
   0.49936883  0.34992669  0.68558258
   0.23105099  0.35034496  0.71036408
   0.23296341  0.10300833 -0.07773457
  -0.01741174  0.19179330  0.94618192
   0.21758085  0.60193713  0.04233788
   0.33953765  0.70170007  0.26726376
   0.14732542  0.85209831  0.05385903
   0.39692907  0.94430789  0.37017769
   0.45698854  0.92982261  0.18292057
   0.20419193  0.94526723  0.23941794
   0.29759821  0.64167354  0.45088127
   0.07543539  0.55222874  0.38816828
   0.32192894  0.37470854  0.51574017
   0.36132246  0.78444715  0.70991649
   0.10491061  0.79386176  0.49798829
   0.38107440  1.02035815  0.77902016
   0.52426130  0.89502407  0.62349080
   0.22177205  0.97266690  0.61595010
   0.26359621  0.75205254 -0.10980082
   0.01554652  0.69127390  0.94449932
   0.66392314  0.05649363  0.10231013
   0.80301706  0.22335094  0.23683162
   0.59271884  0.29133724  0.00395897
   0.84705863  0.47093265  0.29142782
   0.00469047  0.50927500  0.13770411
   0.74949182  0.46612829  0.10869288
   0.70357579  0.20239653  0.38039622
   0.46925029  0.16032400  0.47474525
   0.73995101  0.06736854  0.53466089
   0.86221808  0.23301839  0.77584031
   0.65599691  0.32534660  0.55489191
   0.91832773  0.49601728  0.84409274
   1.12992519  0.53901225  0.57633370
   0.79959144  0.45240332  0.66371468
   0.74645049  0.09200932  0.91984993
   0.49301615  0.04804840  0.95118028
   0.52847530  0.54317849  0.02326049
   0.93282168  0.73273322  0.30291028
   0.61879379  0.78710009  0.06340449
   0.86559581  0.99197027  0.34486793
   0.95607253  0.93031439  0.17812681
   0.70865220  0.85360406  0.23341957
   0.79798961  0.59654167  0.43690193
   0.55093853  0.65743823  0.38187059
   0.57986318  0.57694009  0.55257528
   0.81794935  0.75569927  0.80125262
   0.67258463  0.84122025  0.48327946
   0.96719248  0.98556788  0.82174850
   1.00672659  0.82686971  0.67682471
   0.77280773  0.97935457  0.69079128
   0.75688473  0.64155729  0.97229088
   0.51792649  0.73479991  0.88783808
   0.77661195  0.77675595  0.62939961
   0.86482748  1.05083577  0.54508711
   0.94315058  0.29729772  0.11998737
   0.76814775  1.15190131  0.18527137
   0.42058029  0.08549072  0.63747617
   0.37619442  0.29197587  0.50766353
   0.46973148  1.29332926 -0.10041833
  -0.22196874  1.57294989  0.03455962
   0.68163203  0.42023719  0.82560147
   0.60085067  0.55406268  0.71202885
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754526    0.278741    0.082998
    -0.000000    9.644991    0.233081
    -0.000000    0.000000   13.939096
   Si   O    H 
    32    64    10
Direct configuration=  3637
   0.12820553  0.19221369 -0.00609101
   0.36125641  0.11164375  0.38919866
   0.16100057  0.46437046  0.10105167
   0.39206761  0.36012142  0.24922254
   0.07178665  0.17814992  0.48600884
   0.37723572  0.08896285  0.87439289
   0.20102885  0.38992336  0.59969703
   0.37140185  0.39326552  0.75918928
   0.16327160  0.72603962 -0.01801012
   0.40029947  0.61880335  0.36196994
   0.11271805  0.95319322  0.15021587
   0.35332613  0.86997309  0.26622566
   0.14178566  0.63095825  0.47652733
   0.37926232  0.70823400  0.81631378
   0.08466690  0.89676539  0.58565702
   0.38224835  0.95603898  0.66959495
   0.62675523  0.13414400  0.99341049
   0.84265856  0.15201131  0.34645025
   0.59465109  0.40849385  0.08221572
   0.88457482  0.40838913  0.17747777
   0.64085584  0.19205719  0.48732187
   0.89242699  0.12148370  0.87026543
   0.62508092  0.46048227  0.62847321
   0.81176345  0.40058949  0.77148829
   0.60025023  0.67902204 -0.02200375
   0.91999250  0.58841150  0.35321588
   0.61497662  0.90176350  0.14076552
   0.86071098  0.87373921  0.26225099
   0.65762078  0.67503935  0.47704117
   0.89025944  0.64749107  0.88280660
   0.68739549  0.89685583  0.59439529
   0.88498139  0.88741143  0.74423612
   0.13994090  0.10973747  0.10260513
   0.39223734  0.20465898  0.29476492
   0.17088922  0.35487771  0.00996952
   0.39721172  0.46153432  0.33491754
   0.51667319  0.37120439  0.17257264
   0.25398026  0.40263828  0.18926456
   0.20921509  0.13945770  0.42750242
  -0.03393191  0.23284797  0.39742283
  -0.00334468  0.03662249  0.53443788
   0.39615206  0.27444485  0.85592795
   0.07668201  0.28629220  0.57337075
   0.37218085  0.53953899  0.80663490
   0.50168781  0.35099134  0.68585235
   0.23213820  0.34910527  0.71177075
   0.23110918  0.10259638 -0.07678569
  -0.01759215  0.19224322  0.94613289
   0.21908502  0.60025186  0.04260016
   0.34020113  0.70236956  0.26837334
   0.14801377  0.85346818  0.05321124
   0.39702984  0.94564866  0.36885847
   0.45658023  0.93054360  0.18289864
   0.20483210  0.94378013  0.23899228
   0.29806953  0.64199459  0.45192526
   0.07488986  0.55406782  0.38734469
   0.32322408  0.37411330  0.51494856
   0.36345090  0.78394253  0.70921826
   0.10518156  0.79454222  0.49813910
   0.38184157  1.01935443  0.77783742
   0.52382931  0.89539369  0.62421812
   0.22218798  0.97305179  0.61565956
   0.26191133  0.75308872 -0.11071562
   0.01329249  0.68921265  0.94477044
   0.66411316  0.05584333  0.09991391
   0.80224604  0.22352497  0.23724653
   0.59115303  0.29080210  0.00341022
   0.84518772  0.47185051  0.29106686
   0.00433216  0.50859399  0.13833970
   0.74983144  0.46499064  0.10824989
   0.70311643  0.20195727  0.37930495
   0.46809841  0.16022474  0.47447093
   0.73917846  0.06727546  0.53342941
   0.86045010  0.23532110  0.77487623
   0.65653409  0.32347605  0.55417211
   0.91838471  0.49705547  0.84191621
   1.13105766  0.53938098  0.57620045
   0.79997752  0.45159715  0.66482412
   0.74644310  0.09119329  0.91906377
   0.49183576  0.04969893  0.95110150
   0.52812412  0.54302068  0.02141531
   0.93532785  0.73214095  0.30254303
   0.61927759  0.78675604  0.06242152
   0.86833359  0.99100010  0.34564270
   0.95652019  0.93006903  0.17822695
   0.71047245  0.85342358  0.23385455
   0.79848106  0.59555629  0.43768433
   0.54981584  0.65756157  0.38215909
   0.57874121  0.57595757  0.55305843
   0.81593382  0.75660846  0.80234936
   0.67214979  0.83963977  0.48339019
   0.96724394  0.98553778  0.82218270
   1.00559815  0.82684510  0.67723204
   0.77244305  0.97882131  0.69125127
   0.75760225  0.64178568  0.97216987
   0.51579570  0.73393421  0.88767775
   0.77783340  0.77985128  0.63516328
   0.86781216  1.05461869  0.55141679
   0.95208370  0.29736007  0.11855153
   0.77119176  1.15147087  0.18241586
   0.42490651  0.09221250  0.63797651
   0.37886898  0.28682361  0.50696124
   0.46961595  1.29660014 -0.09684687
  -0.22726105  1.57230115  0.03102913
   0.68319071  0.42583009  0.82542530
   0.60428733  0.55684686  0.71608096
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.755201    0.280328    0.087206
    -0.000000    9.645812    0.235010
    -0.000000    0.000000   13.938399
   Si   O    H 
    32    64    10
Direct configuration=  3638
   0.12848795  0.19133291 -0.00676263
   0.35925199  0.11188588  0.38879391
   0.16071964  0.46453506  0.10140325
   0.39284261  0.35983100  0.24909772
   0.07080654  0.17683352  0.48565926
   0.37606276  0.08973218  0.87405046
   0.20054894  0.38967764  0.59993771
   0.37132652  0.39225957  0.75951846
   0.16265992  0.72397717 -0.01885423
   0.39956609  0.61954449  0.36198165
   0.11194720  0.95407538  0.14940863
   0.35392244  0.86938860  0.26599640
   0.14136418  0.63069650  0.47700684
   0.38015512  0.70771828  0.81484705
   0.08504423  0.89621925  0.58547263
   0.37997210  0.95518383  0.66925702
   0.62635586  0.13461669  0.99267359
   0.84242768  0.15173777  0.34602588
   0.59553501  0.40880914  0.08249421
   0.88420016  0.40779721  0.17720655
   0.64034145  0.19238624  0.48779321
   0.89288325  0.12087113  0.86972796
   0.62464765  0.46014626  0.62770463
   0.81185489  0.40019206  0.77201253
   0.59887532  0.67866509 -0.02216825
   0.91914963  0.58963620  0.35401612
   0.61324405  0.90235074  0.14077533
   0.86062053  0.87377337  0.26245617
   0.65780276  0.67522659  0.47641479
   0.88965972  0.64658110  0.88321811
   0.68787182  0.89622481  0.59490379
   0.88469084  0.88673682  0.74431994
   0.14054862  0.10867427  0.10175775
   0.39315194  0.20554556  0.29579312
   0.17057145  0.35325157  0.00854789
   0.39914023  0.46270364  0.33542669
   0.51660535  0.36998498  0.17319150
   0.25369031  0.40122731  0.18760558
   0.20897149  0.14010560  0.42520952
  -0.03482386  0.23218800  0.39557712
  -0.00196207  0.03585792  0.53578136
   0.39472753  0.27380191  0.85667564
   0.07655957  0.28832379  0.57310014
   0.37158236  0.53929012  0.80621483
   0.50348229  0.35202584  0.68603757
   0.23270501  0.34771287  0.71287449
   0.22885645  0.10243096 -0.07672882
  -0.01873107  0.19296755  0.94651444
   0.22101373  0.59844575  0.04319447
   0.34232829  0.70364320  0.26895964
   0.14827763  0.85556853  0.05295791
   0.39719998  0.94597483  0.36684413
   0.45594678  0.93120665  0.18289717
   0.20593318  0.94301657  0.23880113
   0.30008125  0.64227570  0.45269027
   0.07430383  0.55600755  0.38670127
   0.32380192  0.37355349  0.51442725
   0.36467275  0.78303552  0.70864141
   0.10613787  0.79525877  0.49792798
   0.38205918  1.01850112  0.77673194
   0.52302337  0.89592080  0.62479689
   0.22253623  0.97373844  0.61552384
   0.25981054  0.75394499 -0.11091654
   0.01181995  0.68671466  0.94410495
   0.66399741  0.05480913  0.09815929
   0.80178712  0.22321842  0.23697730
   0.58978456  0.29048503  0.00226254
   0.84328521  0.47263947  0.29039464
   0.00379561  0.50864709  0.13933179
   0.75143977  0.46301807  0.10764087
   0.70214054  0.20178631  0.37852232
   0.46709923  0.15944208  0.47369612
   0.73850617  0.06705676  0.53258224
   0.85909988  0.23783524  0.77435223
   0.65651460  0.32229499  0.55279227
   0.91965597  0.49740666  0.83983004
   1.13213521  0.54048351  0.57625990
   0.80082185  0.45122769  0.66497958
   0.74549133  0.09055434  0.91872364
   0.49109401  0.05135860  0.95158189
   0.52830249  0.54165507  0.01986953
   0.93736351  0.73234961  0.30234619
   0.61971270  0.78721215  0.06175444
   0.87139183  0.98905899  0.34701057
   0.95750574  0.92993813  0.17835511
   0.71199288  0.85296454  0.23353883
   0.79894460  0.59450802  0.43837469
   0.54952879  0.65716428  0.38275182
   0.57759153  0.57554086  0.55325076
   0.81504903  0.75654465  0.80384827
   0.67171481  0.83790520  0.48330187
   0.96742814  0.98581433  0.82285025
   1.00471240  0.82647897  0.67775458
   0.77205786  0.97963508  0.69142634
   0.75965981  0.64186956  0.97242263
   0.51353799  0.73313372  0.88713803
   0.77232802  0.77867221  0.63583551
   0.86706927  1.05902093  0.55601934
   0.95817661  0.29919882  0.12062935
   0.77207232  1.15608013  0.18486907
   0.42651448  0.10325816  0.63779042
   0.38260583  0.28265673  0.50582689
   0.46857716  1.29943864 -0.09321085
  -0.22815168  1.57204305  0.02881877
   0.68544115  0.43071239  0.82410382
   0.60768323  0.55677314  0.71804691
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.755805    0.282485    0.090958
    -0.000000    9.646685    0.237079
    -0.000000    0.000000   13.937736
   Si   O    H 
    32    64    10
Direct configuration=  3639
   0.12921262  0.19057212 -0.00694638
   0.35783182  0.11170063  0.38817018
   0.16057021  0.46487243  0.10163288
   0.39361650  0.35942943  0.24877824
   0.07000320  0.17569871  0.48483790
   0.37509528  0.09076457  0.87352757
   0.20060780  0.38908804  0.60002414
   0.37213316  0.39150131  0.76016452
   0.16197139  0.72246862 -0.01960106
   0.39962405  0.62044338  0.36195440
   0.11145871  0.95509293  0.14843852
   0.35467380  0.86890901  0.26611048
   0.14129407  0.63016093  0.47734968
   0.38058342  0.70665567  0.81340190
   0.08566558  0.89586582  0.58517188
   0.37830181  0.95465382  0.66826681
   0.62601973  0.13396223  0.99161153
   0.84286465  0.15179036  0.34547850
   0.59656547  0.40866805  0.08273526
   0.88323150  0.40679644  0.17700012
   0.63915075  0.19262641  0.48833818
   0.89303627  0.12090683  0.86905682
   0.62520998  0.45903006  0.62731640
   0.81176101  0.40023474  0.77235268
   0.59671667  0.67876140 -0.02238570
   0.91724077  0.59019108  0.35509497
   0.61131129  0.90286029  0.14137729
   0.86154668  0.87395839  0.26304562
   0.65781740  0.67517517  0.47614441
   0.88914972  0.64595166  0.88324218
   0.68846158  0.89576876  0.59537245
   0.88496967  0.88634412  0.74489236
   0.14126824  0.10884439  0.10027491
   0.39410755  0.20641183  0.29627294
   0.17012267  0.35204732  0.00776919
   0.40091681  0.46345024  0.33565406
   0.51637754  0.36742051  0.17436049
   0.25350265  0.39996223  0.18640392
   0.20887556  0.14038373  0.42313608
  -0.03442621  0.23129433  0.39409244
  -0.00085262  0.03519645  0.53659807
   0.39356156  0.27416208  0.85767923
   0.07670834  0.28979438  0.57317366
   0.37024721  0.53872397  0.80601943
   0.50492275  0.35385338  0.68577954
   0.23172639  0.34654204  0.71355801
   0.22615547  0.10234714 -0.07626065
  -0.01899890  0.19341561  0.94708098
   0.22273831  0.59667652  0.04440787
   0.34390187  0.70498261  0.26903843
   0.14857792  0.85725259  0.05303568
   0.39638773  0.94628652  0.36509554
   0.45617052  0.93177669  0.18277629
   0.20686506  0.94193224  0.23897285
   0.30296159  0.64229017  0.45321105
   0.07379056  0.55763415  0.38590528
   0.32375633  0.37368165  0.51389421
   0.36656436  0.78197265  0.70829370
   0.10661146  0.79566161  0.49832518
   0.38275165  1.01781405  0.77557365
   0.52294196  0.89584803  0.62515081
   0.22320512  0.97439925  0.61523012
   0.25757268  0.75479357 -0.11083919
   0.01105844  0.68442150  0.94328071
   0.66403053  0.05314630  0.09664254
   0.80166550  0.22307856  0.23614753
   0.58799415  0.29065767  0.00091467
   0.84237771  0.47369590  0.28971359
   0.00330035  0.50968368  0.13997079
   0.75214539  0.46132454  0.10691680
   0.70005709  0.20151204  0.37863144
   0.46627893  0.15906171  0.47281959
   0.73906997  0.06704164  0.53205038
   0.85815960  0.24056281  0.77415291
   0.65607762  0.32189364  0.55126364
   0.92049987  0.49805739  0.83745813
   1.13275104  0.54214312  0.57710940
   0.80140448  0.45120706  0.66504394
   0.74549592  0.09068853  0.91802238
   0.49045875  0.05349472  0.95247667
   0.52815120  0.54043484  0.01845470
   0.93983662  0.73331677  0.30155313
   0.62013165  0.78646498  0.06131967
   0.87339466  0.98700096  0.34883382
   0.95912963  0.92935886  0.17784217
   0.71165422  0.85343609  0.23304400
   0.79860262  0.59370285  0.43944231
   0.55038083  0.65767868  0.38328160
   0.57693133  0.57545631  0.55292586
   0.81453262  0.75654723  0.80557392
   0.67190851  0.83636538  0.48333583
   0.96681388  0.98646915  0.82380424
   1.00449336  0.82584191  0.67774678
   0.77223725  0.98046544  0.69108866
   0.76232079  0.64153288  0.97260356
   0.51147863  0.73134263  0.88645265
   0.76755269  0.77280621  0.63517999
   0.86275590  1.06694118  0.55707269
   0.96265524  0.29870995  0.12228286
   0.77289754  1.16370768  0.19214817
   0.42492039  0.10949948  0.63812197
   0.38243766  0.28147117  0.50544604
   0.46184302  1.30183206 -0.09194169
  -0.22355765  1.56886000  0.02866784
   0.68429599  0.43205709  0.82673461
   0.61219391  0.55607139  0.71863719
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756038    0.284565    0.095002
    -0.000000    9.647450    0.239569
    -0.000000    0.000000   13.937093
   Si   O    H 
    32    64    10
Direct configuration=  3640
   0.12987574  0.19013129 -0.00665962
   0.35677304  0.11127991  0.38787060
   0.15987696  0.46516105  0.10180350
   0.39474077  0.35935277  0.24853313
   0.06983061  0.17463895  0.48449233
   0.37414783  0.09140519  0.87306572
   0.20104018  0.38832119  0.59954421
   0.37282322  0.39029592  0.76061203
   0.16149016  0.72145253 -0.02011417
   0.39942761  0.62127353  0.36238104
   0.11128637  0.95557779  0.14686587
   0.35546154  0.86874154  0.26629717
   0.14118341  0.62945263  0.47792753
   0.38105949  0.70557265  0.81206036
   0.08696728  0.89533954  0.58493265
   0.37732822  0.95407145  0.66696730
   0.62543299  0.13222050  0.99105807
   0.84362699  0.15166232  0.34468682
   0.59704654  0.40901121  0.08290642
   0.88258719  0.40539720  0.17667998
   0.63757072  0.19322375  0.48909587
   0.89297810  0.12123388  0.86794811
   0.62565352  0.45767172  0.62712559
   0.81146761  0.40082048  0.77255865
   0.59455614  0.67957508 -0.02254456
   0.91534034  0.58994125  0.35622991
   0.60979996  0.90339706  0.14210494
   0.86269497  0.87446199  0.26404737
   0.65775521  0.67480750  0.47514165
   0.88799451  0.64597059  0.88318983
   0.68874972  0.89558217  0.59595509
   0.88498050  0.88586683  0.74546154
   0.14176618  0.10947395  0.09893819
   0.39518501  0.20736257  0.29678419
   0.16925803  0.35110737  0.00692110
   0.40296993  0.46442754  0.33578410
   0.51685342  0.36468845  0.17539192
   0.25360116  0.39957123  0.18527170
   0.20682950  0.14070068  0.42198886
  -0.03348053  0.23001198  0.39292814
  -0.00006605  0.03493242  0.53694696
   0.39262451  0.27450042  0.85873538
   0.07646971  0.29062667  0.57247256
   0.36886363  0.53801233  0.80632692
   0.50604736  0.35593368  0.68579659
   0.23031855  0.34562743  0.71397952
   0.22354714  0.10196658 -0.07546491
  -0.01962269  0.19517109  0.94719141
   0.22482776  0.59512021  0.04519492
   0.34481563  0.70567727  0.26852729
   0.15003781  0.85844326  0.05365241
   0.39561128  0.94693967  0.36373326
   0.45659396  0.93119570  0.18232681
   0.20753400  0.94121682  0.23969642
   0.30621016  0.64198709  0.45396811
   0.07301943  0.55934339  0.38552267
   0.32314561  0.37362064  0.51432292
   0.36870382  0.78080974  0.70838716
   0.10633765  0.79576258  0.49867957
   0.38363300  1.01744154  0.77523550
   0.52385608  0.89540875  0.62562711
   0.22360196  0.97472274  0.61487450
   0.25561005  0.75608220 -0.11126144
   0.01127259  0.68196422  0.94287934
   0.66367753  0.05253175  0.09525677
   0.80218807  0.22379466  0.23544210
   0.58636721  0.29109357 -0.00035062
   0.84161121  0.47388306  0.28892797
   0.00326426  0.51168110  0.14022663
   0.75296135  0.45919726  0.10695032
   0.69651387  0.20153142  0.37936452
   0.46661718  0.15866408  0.47167004
   0.73947317  0.06687398  0.53119848
   0.85772360  0.24238470  0.77407491
   0.65478363  0.32291244  0.55005014
   0.92125851  0.49854768  0.83498223
   1.13267933  0.54401782  0.57794705
   0.80132030  0.45236111  0.66484461
   0.74561270  0.09033736  0.91676777
   0.49005685  0.05517572  0.95330227
   0.52869396  0.53906174  0.01731143
   0.94140651  0.73478542  0.30114382
   0.62077156  0.78620629  0.06128718
   0.87609622  0.98472563  0.35082330
   0.96034812  0.92810123  0.17779161
   0.71116108  0.85350151  0.23274988
   0.79872747  0.59384476  0.44053824
   0.55204890  0.65893643  0.38365553
   0.57630402  0.57667027  0.55214490
   0.81326712  0.75638251  0.80683871
   0.67160528  0.83531670  0.48328778
   0.96634041  0.98625155  0.82544148
   1.00375108  0.82528969  0.67730105
   0.77229889  0.98217679  0.69108678
   0.76501740  0.64057022  0.97276759
   0.51006947  0.73028044  0.88591731
   0.76255357  0.76466874  0.63278910
   0.85594866  1.07516821  0.55564330
   0.96300458  0.29789545  0.12621434
   0.76665611  1.16177802  0.18927419
   0.41998408  0.11000064  0.63671275
   0.37980408  0.28830972  0.50563709
   0.45393362  1.30406699 -0.09153235
  -0.21751433  1.56669440  0.02993280
   0.68238023  0.43066367  0.82974230
   0.61711053  0.55295213  0.71853163
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756322    0.286128    0.098787
    -0.000000    9.648569    0.241830
    -0.000000    0.000000   13.936235
   Si   O    H 
    32    64    10
Direct configuration=  3641
   0.13053849  0.18978414 -0.00623172
   0.35584547  0.11075338  0.38763704
   0.15943165  0.46528720  0.10167986
   0.39497945  0.35982784  0.24808649
   0.06984829  0.17428045  0.48394019
   0.37299601  0.09164598  0.87284446
   0.20104642  0.38731186  0.59861414
   0.37323595  0.38872765  0.76121906
   0.16075827  0.72150652 -0.02024216
   0.39907453  0.62143035  0.36240700
   0.11157219  0.95593908  0.14520690
   0.35612432  0.86879037  0.26657145
   0.14089674  0.62898611  0.47925452
   0.38103741  0.70437909  0.81115780
   0.08798510  0.89530500  0.58496817
   0.37687576  0.95386638  0.66552727
   0.62534680  0.13001105  0.99082929
   0.84490136  0.15133571  0.34347033
   0.59787569  0.40989540  0.08313376
   0.88228940  0.40412513  0.17685328
   0.63627927  0.19398544  0.48967875
   0.89328556  0.12162663  0.86666553
   0.62653377  0.45642016  0.62723833
   0.81163215  0.40099210  0.77276508
   0.59312840  0.68024653 -0.02302849
   0.91336223  0.58991586  0.35699912
   0.60918432  0.90414298  0.14305839
   0.86425329  0.87543126  0.26482674
   0.65694552  0.67450323  0.47411942
   0.88606586  0.64560023  0.88311455
   0.68865470  0.89575369  0.59660828
   0.88446693  0.88566965  0.74601528
   0.14251262  0.11111199  0.09733809
   0.39621755  0.20707055  0.29730012
   0.16859367  0.35098343  0.00572720
   0.40483460  0.46549924  0.33558125
   0.51749267  0.36180260  0.17631057
   0.25400853  0.39945212  0.18445022
   0.20429187  0.14074434  0.42113385
  -0.03246238  0.22879098  0.39171226
   0.00020889  0.03507927  0.53739726
   0.39103730  0.27536701  0.85931504
   0.07574615  0.28995510  0.57147817
   0.36784234  0.53770256  0.80634256
   0.50633135  0.35811073  0.68613599
   0.22843753  0.34501229  0.71363737
   0.22172076  0.10192827 -0.07558306
  -0.02054570  0.19593151  0.94786135
   0.22675942  0.59295236  0.04624104
   0.34534207  0.70655308  0.26723881
   0.15245446  0.85909042  0.05431100
   0.39496862  0.94666835  0.36260519
   0.45693535  0.93072579  0.18170578
   0.20821161  0.94126451  0.24111608
   0.30913788  0.64193962  0.45469835
   0.07261246  0.56016517  0.38524199
   0.32256622  0.37393161  0.51465790
   0.37039416  0.78005664  0.70898938
   0.10615464  0.79706694  0.49859963
   0.38353153  1.01704232  0.77548110
   0.52549642  0.89495638  0.62625297
   0.22393122  0.97498680  0.61421960
   0.25376063  0.75761072 -0.11175810
   0.01184128  0.67951653  0.94241511
   0.66354932  0.05159618  0.09345134
   0.80259693  0.22482944  0.23424290
   0.58546194  0.29243023 -0.00101881
   0.84137493  0.47320732  0.28767434
   0.00456931  0.51441304  0.14028338
   0.75315789  0.45690889  0.10780576
   0.69294267  0.20099684  0.38009224
   0.46768605  0.15809591  0.47058857
   0.74030872  0.06589016  0.53046434
   0.85750407  0.24330793  0.77420662
   0.65400654  0.32385169  0.54903953
   0.92171152  0.49907742  0.83291728
   1.13320333  0.54515238  0.57948340
   0.80101140  0.45352382  0.66452271
   0.74644887  0.08924097  0.91569672
   0.49044203  0.05657580  0.95399483
   0.52982324  0.53740530  0.01592228
   0.94234251  0.73593441  0.30033152
   0.62054514  0.78673612  0.06172885
   0.87954795  0.98306798  0.35241206
   0.96094037  0.92703920  0.17758056
   0.70968859  0.85334986  0.23211907
   0.79927084  0.59321872  0.44217479
   0.55390110  0.65942314  0.38417577
   0.57611815  0.57766444  0.55178728
   0.81183558  0.75597535  0.80783823
   0.67169928  0.83386868  0.48363523
   0.96518666  0.98535221  0.82655418
   1.00325424  0.82412591  0.67658912
   0.77265403  0.98402809  0.69081767
   0.76806949  0.63902150  0.97231221
   0.50933089  0.72979920  0.88548926
   0.75903764  0.75824787  0.62865957
   0.84022041  1.07869163  0.55392821
   0.96222762  0.30002003  0.12973920
   0.75897860  1.15824662  0.18336741
   0.41354430  0.10490467  0.63566247
   0.37704381  0.29595971  0.50667301
   0.44931196  1.31107269 -0.08839705
  -0.21185316  1.56473119  0.03063058
   0.68042131  0.42716038  0.83276273
   0.61641591  0.55108778  0.71597500
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756538    0.287855    0.102088
    -0.000000    9.649932    0.244384
    -0.000000    0.000000   13.934884
   Si   O    H 
    32    64    10
Direct configuration=  3642
   0.13124248  0.18948517 -0.00566443
   0.35544150  0.11068822  0.38693527
   0.15890441  0.46496624  0.10132260
   0.39492401  0.36062276  0.24769220
   0.06953099  0.17534552  0.48347452
   0.37246770  0.09197886  0.87286002
   0.20084935  0.38670433  0.59794136
   0.37377873  0.38710230  0.76160867
   0.16022064  0.72233268 -0.02019741
   0.39829833  0.62153519  0.36233502
   0.11289920  0.95548131  0.14332578
   0.35632725  0.86965035  0.26679090
   0.14138116  0.62825023  0.48029969
   0.38062519  0.70447744  0.81036982
   0.08857623  0.89476920  0.58497444
   0.37728023  0.95453871  0.66415107
   0.62528161  0.12766576  0.99098054
   0.84547187  0.15139854  0.34244865
   0.59885390  0.41094982  0.08319289
   0.88226074  0.40328321  0.17771865
   0.63532363  0.19442311  0.49017215
   0.89300991  0.12248374  0.86557721
   0.62762068  0.45504127  0.62797223
   0.81175718  0.40118017  0.77294910
   0.59227885  0.68101958 -0.02353654
   0.91089032  0.58959361  0.35762009
   0.60908358  0.90430634  0.14373175
   0.86561215  0.87680547  0.26527769
   0.65621726  0.67389388  0.47305512
   0.88418401  0.64549830  0.88270830
   0.68865035  0.89607052  0.59696971
   0.88376159  0.88599616  0.74647534
   0.14348037  0.11174980  0.09601519
   0.39726462  0.20724909  0.29754840
   0.16820828  0.35035825  0.00395517
   0.40674868  0.46577898  0.33481192
   0.51873228  0.35939470  0.17695522
   0.25446893  0.39944844  0.18369135
   0.20153720  0.14059664  0.42043596
  -0.03156512  0.22727805  0.39074473
   0.00030125  0.03467929  0.53799801
   0.39002638  0.27628759  0.85886925
   0.07441152  0.28929333  0.57001745
   0.36667089  0.53669759  0.80661862
   0.50548041  0.36084856  0.68660326
   0.22782891  0.34442501  0.71370703
   0.22011168  0.10088542 -0.07605084
  -0.02183275  0.19635086  0.94842012
   0.22797847  0.59141085  0.04738333
   0.34537746  0.70718080  0.26597154
   0.15473947  0.85876498  0.05449904
   0.39466304  0.94670190  0.36208643
   0.45694492  0.93088452  0.18146059
   0.20848332  0.94077014  0.24229450
   0.31073314  0.64275057  0.45551602
   0.07202132  0.56197795  0.38515494
   0.32086267  0.37439634  0.51523470
   0.37193064  0.77893740  0.70943544
   0.10569071  0.79757109  0.49805241
   0.38311487  1.01693472  0.77637812
   0.52730969  0.89404245  0.62631088
   0.22410009  0.97480232  0.61338856
   0.25163372  0.75939846 -0.11279177
   0.01294145  0.67771638  0.94256691
   0.66382411  0.05070472  0.09232950
   0.80242509  0.22542329  0.23223670
   0.58515834  0.29349654 -0.00134782
   0.84065603  0.47267120  0.28598617
   0.00678242  0.51809071  0.13963370
   0.75337208  0.45414415  0.10771268
   0.68913571  0.19988838  0.38101879
   0.46943446  0.15754725  0.46930915
   0.74096759  0.06409986  0.53028694
   0.85699310  0.24344146  0.77497482
   0.65390014  0.32507395  0.54786048
   0.92154952  0.49851778  0.83112963
   1.13401648  0.54647166  0.58065906
   0.80062737  0.45503487  0.66420543
   0.74782760  0.08896970  0.91466948
   0.49071581  0.05821802  0.95421130
   0.53061530  0.53582694  0.01510079
   0.94281273  0.73707028  0.29996588
   0.62073024  0.78666122  0.06202358
   0.88239680  0.98156117  0.35357406
   0.96112116  0.92694167  0.17730628
   0.70847313  0.85317311  0.23174545
   0.80018671  0.59262669  0.44405887
   0.55608716  0.66043969  0.38478098
   0.57648619  0.57934310  0.55135503
   0.81056186  0.75592844  0.80915106
   0.67175117  0.83376179  0.48432855
   0.96383802  0.98413408  0.82716869
   1.00331123  0.82367013  0.67520408
   0.77290096  0.98550539  0.69044828
   0.77042425  0.63723764  0.97183424
   0.50910043  0.72975428  0.88462121
   0.75712081  0.75444994  0.62672035
   0.82274472  1.08125232  0.55200929
   0.96051449  0.29907095  0.13114789
   0.75594959  1.16383948  0.18254381
   0.40535524  0.09324547  0.63448375
   0.38523272  0.28639204  0.50492754
   0.44325565  1.31865954 -0.08684524
  -0.21079678  1.56581817  0.03036419
   0.68332504  0.42353918  0.83320747
   0.61297461  0.55213453  0.71347531
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756734    0.289814    0.105491
    -0.000000    9.651208    0.246509
    -0.000000    0.000000   13.933566
   Si   O    H 
    32    64    10
Direct configuration=  3643
   0.13140314  0.18959615 -0.00543841
   0.35533502  0.11095892  0.38615864
   0.15807892  0.46462702  0.10053181
   0.39452045  0.36171671  0.24773299
   0.06940696  0.17622853  0.48325520
   0.37183187  0.09225496  0.87279406
   0.20033886  0.38628154  0.59723888
   0.37514350  0.38538704  0.76170637
   0.15968606  0.72383734 -0.02072884
   0.39817854  0.62180475  0.36266039
   0.11484047  0.95472686  0.14181624
   0.35693496  0.87077760  0.26721491
   0.14224091  0.62808454  0.48105675
   0.38015049  0.70452885  0.80980482
   0.08902212  0.89426580  0.58521911
   0.37789202  0.95448223  0.66343831
   0.62596268  0.12593444  0.99081360
   0.84595861  0.15164639  0.34177143
   0.59943382  0.41186423  0.08325151
   0.88217845  0.40303111  0.17911760
   0.63363734  0.19499849  0.49054524
   0.89270817  0.12389105  0.86438807
   0.62864591  0.45376444  0.62871950
   0.81223958  0.40179722  0.77338379
   0.59172983  0.68181196 -0.02375115
   0.90818866  0.58988407  0.35792840
   0.60937686  0.90454343  0.14431617
   0.86646472  0.87787530  0.26583766
   0.65636244  0.67263385  0.47188133
   0.88251135  0.64507750  0.88205883
   0.68855284  0.89636875  0.59735192
   0.88318522  0.88636489  0.74691107
   0.14485418  0.11231047  0.09506083
   0.39864972  0.20750743  0.29688303
   0.16839109  0.35020621  0.00352721
   0.40844675  0.46587149  0.33444246
   0.52070589  0.35742118  0.17708273
   0.25537609  0.39951359  0.18323818
   0.19969585  0.13971675  0.41977431
  -0.03092608  0.22527241  0.39022547
   0.00169506  0.03368419  0.53831016
   0.38835518  0.27700413  0.85861731
   0.07323751  0.28912350  0.56822015
   0.36597673  0.53633487  0.80671453
   0.50424393  0.36397678  0.68737803
   0.22783775  0.34370589  0.71332262
   0.21905279  0.09973393 -0.07713896
  -0.02351861  0.19670542  0.94864031
   0.22983082  0.59139601  0.04857849
   0.34679647  0.70748353  0.26475185
   0.15739136  0.85776383  0.05443146
   0.39386711  0.94732581  0.36146296
   0.45721416  0.93122790  0.18113436
   0.20902289  0.94062226  0.24294408
   0.31180436  0.64384010  0.45694414
   0.07070909  0.56291419  0.38495720
   0.31870229  0.37416929  0.51641248
   0.37252792  0.77801547  0.71006932
   0.10508319  0.79709390  0.49636306
   0.38214316  1.01740878  0.77735819
   0.52891555  0.89284754  0.62617300
   0.22415171  0.97479041  0.61294482
   0.24973142  0.76105361 -0.11354672
   0.01393501  0.67554972  0.94285540
   0.66379375  0.04918123  0.09192512
   0.80286999  0.22544598  0.22982701
   0.58405279  0.29511920 -0.00176607
   0.84030751  0.47121140  0.28478333
   0.00843080  0.52130548  0.13893305
   0.75389636  0.45116224  0.10772287
   0.68511641  0.19772490  0.38195851
   0.47182556  0.15709833  0.46836180
   0.73955082  0.06209983  0.52892173
   0.85671318  0.24361325  0.77554296
   0.65359574  0.32665445  0.54711345
   0.92169472  0.49749992  0.82923917
   1.13498591  0.54656537  0.58190764
   0.80000363  0.45528940  0.66361174
   0.74818618  0.08855124  0.91378135
   0.49066982  0.06006329  0.95357504
   0.53104878  0.53390603  0.01528927
   0.94324468  0.73770251  0.30003889
   0.62133986  0.78709596  0.06209508
   0.88497513  0.98096342  0.35524160
   0.96135604  0.92675096  0.17705128
   0.70677099  0.85354594  0.23142048
   0.80116783  0.59177087  0.44544016
   0.55773001  0.66140391  0.38490045
   0.57677330  0.58150832  0.55132812
   0.81001927  0.75554857  0.81022889
   0.67105430  0.83400147  0.48525578
   0.96292216  0.98216102  0.82787587
   1.00364080  0.82290300  0.67420818
   0.77274483  0.98645654  0.69017483
   0.77268545  0.63572602  0.97127967
   0.50986608  0.73007836  0.88404660
   0.75739633  0.75318832  0.62553462
   0.82981233  1.08821736  0.55502998
   0.96254268  0.29140228  0.13121744
   0.75778971  1.17050905  0.18414489
   0.39790626  0.08432550  0.63280932
   0.39020605  0.28426242  0.50587975
   0.43576766  1.31859198 -0.08805045
  -0.21313376  1.56870693  0.02957983
   0.68771808  0.41925019  0.83114669
   0.60663022  0.55908619  0.71181324
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757123    0.292191    0.108337
    -0.000000    9.652280    0.249053
    -0.000000    0.000000   13.932524
   Si   O    H 
    32    64    10
Direct configuration=  3644
   0.13159857  0.18938686 -0.00554393
   0.35567424  0.11159761  0.38555892
   0.15731248  0.46473302  0.09929236
   0.39362607  0.36269857  0.24804917
   0.06856717  0.17682882  0.48324198
   0.37071937  0.09276903  0.87274929
   0.19903350  0.38593334  0.59668079
   0.37640814  0.38380273  0.76137742
   0.15922878  0.72536519 -0.02074233
   0.39812292  0.62218637  0.36272933
   0.11757157  0.95457671  0.14071731
   0.35751528  0.87203773  0.26722751
   0.14389178  0.62815704  0.48136147
   0.37926233  0.70476271  0.80901686
   0.08886402  0.89459495  0.58580181
   0.37867548  0.95371322  0.66220320
   0.62642235  0.12479686  0.99068673
   0.84527843  0.15177341  0.34139743
   0.60011079  0.41251862  0.08295468
   0.88285534  0.40274417  0.18046692
   0.63209043  0.19523951  0.49061877
   0.89252674  0.12456035  0.86282794
   0.62978253  0.45347972  0.62921387
   0.81268841  0.40305576  0.77344744
   0.59123523  0.68293362 -0.02372491
   0.90573219  0.58972691  0.35813461
   0.60979111  0.90486806  0.14455497
   0.86685640  0.87882448  0.26590308
   0.65575232  0.67148289  0.47095139
   0.88166962  0.64461373  0.88107128
   0.68799286  0.89605105  0.59753095
   0.88206341  0.88641824  0.74729110
   0.14572758  0.11259835  0.09431691
   0.39919706  0.20758965  0.29626037
   0.16873742  0.35037770  0.00392597
   0.41055386  0.46560928  0.33413961
   0.52276427  0.35584679  0.17733458
   0.25645354  0.39978356  0.18326563
   0.19899487  0.13868919  0.41912302
  -0.03042876  0.22406460  0.38981189
   0.00387530  0.03247469  0.53857937
   0.38647917  0.27846123  0.85885976
   0.07242638  0.28819633  0.56591159
   0.36485321  0.53660365  0.80704086
   0.50297712  0.36652926  0.68820182
   0.22811081  0.34388871  0.71238299
   0.21846235  0.09884007 -0.07781971
  -0.02521760  0.19761225  0.94905834
   0.23163679  0.59195085  0.04912352
   0.34819910  0.70740905  0.26376892
   0.16040021  0.85663079  0.05438150
   0.39263883  0.94781538  0.36153175
   0.45728607  0.93114015  0.18142569
   0.20905912  0.94027763  0.24290522
   0.31184378  0.64523445  0.45796622
   0.06989584  0.56415859  0.38524087
   0.31785645  0.37326074  0.51766392
   0.37260559  0.77703113  0.71017453
   0.10461423  0.79583969  0.49433541
   0.38159238  1.01728641  0.77893742
   0.52991009  0.89237571  0.62573200
   0.22377312  0.97337732  0.61261924
   0.24881998  0.76232442 -0.11434967
   0.01445868  0.67418452  0.94290081
   0.66422900  0.04738405  0.09172350
   0.80316929  0.22591566  0.22805094
   0.58293983  0.29636111 -0.00205477
   0.83991967  0.46989329  0.28393194
   0.00919381  0.52328018  0.13815575
   0.75352042  0.44813944  0.10759456
   0.68206476  0.19482062  0.38265511
   0.47401603  0.15678069  0.46814101
   0.73812849  0.06066047  0.52784137
   0.85714967  0.24293850  0.77610834
   0.65394055  0.32801893  0.54639433
   0.92158330  0.49692821  0.82744492
   1.13539254  0.54652965  0.58291670
   0.79876363  0.45487870  0.66276533
   0.74863321  0.08827926  0.91361510
   0.49096641  0.06039361  0.95208895
   0.53096209  0.53262436  0.01591975
   0.94371330  0.73819023  0.29982796
   0.62193848  0.78722448  0.06239158
   0.88697981  0.98028488  0.35667009
   0.96066396  0.92731576  0.17631175
   0.70538010  0.85386705  0.23132136
   0.80214038  0.59108564  0.44630901
   0.55853652  0.66232785  0.38418220
   0.57758776  0.58372911  0.55179480
   0.80965204  0.75623228  0.81033344
   0.67042493  0.83431322  0.48594133
   0.96218565  0.98113145  0.82883238
   1.00384535  0.82236986  0.67280592
   0.77257986  0.98713790  0.69003672
   0.77435387  0.63340581  0.97142868
   0.51052802  0.73045713  0.88320125
   0.75960063  0.75222537  0.62451287
   0.83447882  1.09164703  0.55945069
   0.96411361  0.28641587  0.13265745
   0.75764859  1.17332973  0.18394872
   0.39832996  0.09397024  0.62731288
   0.38752723  0.29084211  0.50603240
   0.43387950  1.32021480 -0.08413916
  -0.21320365  1.57537508  0.02801069
   0.69077576  0.41524594  0.82965848
   0.60163592  0.56657059  0.71184793
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757347    0.295589    0.111100
    -0.000000    9.653536    0.252097
    -0.000000    0.000000   13.931475
   Si   O    H 
    32    64    10
Direct configuration=  3645
   0.13181166  0.18885256 -0.00552453
   0.35644389  0.11173676  0.38559093
   0.15709343  0.46441967  0.09767233
   0.39240633  0.36391489  0.24860543
   0.06782432  0.17699447  0.48331399
   0.36945241  0.09319781  0.87295886
   0.19734895  0.38588116  0.59585334
   0.37780266  0.38281839  0.76114197
   0.15887517  0.72668818 -0.02038148
   0.39769382  0.62255617  0.36255669
   0.11988865  0.95464543  0.13996372
   0.35801455  0.87280719  0.26732552
   0.14504415  0.62860000  0.48158317
   0.37805527  0.70459133  0.80871929
   0.08874203  0.89424480  0.58613024
   0.37983002  0.95300900  0.66133909
   0.62708339  0.12388839  0.99076954
   0.84431188  0.15207278  0.34105937
   0.60045068  0.41263427  0.08245349
   0.88312573  0.40199192  0.18155257
   0.63055882  0.19470195  0.49061710
   0.89242816  0.12577173  0.86183765
   0.63029192  0.45370248  0.62986415
   0.81324143  0.40417061  0.77325422
   0.59019994  0.68394822 -0.02326046
   0.90373780  0.58924133  0.35779459
   0.60982693  0.90515434  0.14417911
   0.86608964  0.87889802  0.26607097
   0.65533076  0.67040681  0.46987570
   0.88133369  0.64404322  0.87993687
   0.68752119  0.89520017  0.59797372
   0.88144490  0.88643103  0.74781492
   0.14667579  0.11217411  0.09438762
   0.39959444  0.20830009  0.29564985
   0.16964818  0.35046939  0.00475092
   0.41115471  0.46509533  0.33391719
   0.52499165  0.35383902  0.17764463
   0.25752945  0.40038305  0.18352984
   0.19867338  0.13731840  0.41903009
  -0.02933414  0.22321529  0.38963007
   0.00543596  0.03269996  0.53825618
   0.38419147  0.27988396  0.85951227
   0.07183844  0.28711147  0.56382442
   0.36388497  0.53573608  0.80697602
   0.50081994  0.36817819  0.68915696
   0.22866055  0.34498614  0.71213917
   0.21804160  0.09782037 -0.07934671
  -0.02668808  0.19814103  0.94903986
   0.23362595  0.59402506  0.04869776
   0.34919792  0.70733145  0.26304013
   0.16376391  0.85419624  0.05407602
   0.39154960  0.94823597  0.36231097
   0.45766831  0.93087154  0.18143357
   0.20864138  0.94006670  0.24232451
   0.31069988  0.64507954  0.45878630
   0.06952862  0.56505998  0.38554408
   0.31784689  0.37224813  0.51854640
   0.37217852  0.77623014  0.71022386
   0.10397218  0.79423784  0.49264915
   0.38078937  1.01669185  0.78018035
   0.53039993  0.89187316  0.62500541
   0.22358144  0.97236302  0.61171171
   0.24832961  0.76303217 -0.11532593
   0.01484029  0.67234944  0.94321026
   0.66428062  0.04576988  0.09137747
   0.80396534  0.22634384  0.22776803
   0.58194447  0.29670450 -0.00191706
   0.83985359  0.46893052  0.28401458
   0.00976002  0.52489236  0.13796391
   0.75298024  0.44516170  0.10725683
   0.68023898  0.19278197  0.38267066
   0.47537138  0.15735670  0.46796627
   0.73718120  0.05957010  0.52755334
   0.85811360  0.24156916  0.77718448
   0.65396814  0.33037425  0.54618455
   0.92170446  0.49705143  0.82630390
   1.13548578  0.54594783  0.58399557
   0.79776598  0.45402056  0.66185726
   0.74882878  0.08862208  0.91349353
   0.49261087  0.06038393  0.95043411
   0.53080234  0.53175910  0.01656022
   0.94320456  0.73818700  0.30026963
   0.62298470  0.78850676  0.06241921
   0.88795912  0.98065189  0.35738599
   0.95991433  0.92870866  0.17494312
   0.70491120  0.85530255  0.23138653
   0.80257259  0.58999828  0.44750840
   0.55966999  0.66265631  0.38323344
   0.57815525  0.58541670  0.55248278
   0.80917571  0.75716900  0.81025594
   0.66954959  0.83458717  0.48618296
   0.96102011  0.97997111  0.82942610
   1.00492299  0.82178529  0.67201024
   0.77275026  0.98706087  0.69012301
   0.77500392  0.63192894  0.97178764
   0.51224881  0.73139891  0.88260020
   0.76134908  0.75654501  0.62269585
   0.83586302  1.09013629  0.55935725
   0.96525548  0.28388808  0.13614792
   0.75182608  1.16909323  0.17700993
   0.40013634  0.10423582  0.62108537
   0.38141360  0.29921854  0.50611671
   0.43640628  1.31900918 -0.08345751
  -0.20973289  1.57413571  0.03282829
   0.68953619  0.41840870  0.82908874
   0.59715777  0.57174662  0.71004847
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757738    0.299481    0.114138
    -0.000000    9.654814    0.254543
    -0.000000    0.000000   13.929916
   Si   O    H 
    32    64    10
Direct configuration=  3646
   0.13151844  0.18891197 -0.00541404
   0.35732802  0.11231624  0.38548071
   0.15715859  0.46430610  0.09586986
   0.39095522  0.36515501  0.24914464
   0.06661336  0.17697330  0.48331381
   0.36785987  0.09370920  0.87342317
   0.19645210  0.38552244  0.59521793
   0.37958272  0.38148645  0.76087089
   0.15876362  0.72774503 -0.01981544
   0.39720133  0.62292994  0.36244820
   0.12218049  0.95532389  0.13904182
   0.35804849  0.87365274  0.26718670
   0.14663090  0.62933291  0.48159989
   0.37660649  0.70440158  0.80919096
   0.08835047  0.89363911  0.58638425
   0.38118307  0.95249001  0.66068697
   0.62817470  0.12312203  0.99076308
   0.84290004  0.15239767  0.34050117
   0.60034360  0.41268684  0.08218431
   0.88400445  0.40062563  0.18248726
   0.62929409  0.19361248  0.49027154
   0.89199243  0.12710888  0.86090788
   0.63073281  0.45470267  0.63036045
   0.81378723  0.40514459  0.77306602
   0.58916259  0.68492925 -0.02243088
   0.90206439  0.58887954  0.35751285
   0.60964384  0.90542704  0.14406694
   0.86505443  0.87926502  0.26629916
   0.65475428  0.66973771  0.46950719
   0.88123954  0.64417707  0.87923044
   0.68705168  0.89423615  0.59854621
   0.88118818  0.88687491  0.74815325
   0.14647543  0.11146660  0.09543941
   0.39991980  0.20855564  0.29539103
   0.17091068  0.34969697  0.00551638
   0.41107790  0.46484275  0.33387165
   0.52731904  0.35203615  0.17806509
   0.25781384  0.40131165  0.18373097
   0.19881457  0.13619793  0.41898118
  -0.02886116  0.22265635  0.38949647
   0.00573844  0.03376678  0.53766207
   0.38229158  0.28073244  0.86036234
   0.07213963  0.28665657  0.56176309
   0.36267182  0.53511236  0.80725751
   0.49924594  0.36864650  0.69034217
   0.22925398  0.34566032  0.71178757
   0.21836106  0.09687197 -0.08107109
  -0.02823387  0.19784604  0.94899905
   0.23577370  0.59669225  0.04818447
   0.35047838  0.70775827  0.26314302
   0.16635826  0.85140828  0.05383624
   0.39087295  0.94842908  0.36275165
   0.45801519  0.93077204  0.18117753
   0.20819397  0.93997474  0.24139980
   0.30884363  0.64542570  0.45974130
   0.06918995  0.56594233  0.38615380
   0.31729769  0.37200033  0.51854665
   0.37093187  0.77531209  0.71011391
   0.10297842  0.79232291  0.49141580
   0.37904129  1.01559708  0.78075820
   0.52977239  0.89185277  0.62436556
   0.22465911  0.97121418  0.61102380
   0.24837049  0.76261143 -0.11578038
   0.01502261  0.67109525  0.94301074
   0.66428021  0.04426442  0.09171230
   0.80398798  0.22634163  0.22723071
   0.58238287  0.29621650 -0.00183696
   0.84059286  0.46773515  0.28435465
   0.00964319  0.52637304  0.13707115
   0.75306968  0.44232437  0.10720523
   0.67949491  0.19106204  0.38247395
   0.47571051  0.15769933  0.46796837
   0.73715612  0.05993481  0.52791390
   0.85908970  0.23966392  0.77803224
   0.65342724  0.33286087  0.54575140
   0.92134236  0.49821911  0.82549037
   1.13491166  0.54588981  0.58453221
   0.79666398  0.45327075  0.66136856
   0.74815376  0.09013851  0.91377373
   0.49314610  0.05993786  0.94879625
   0.53044939  0.53177089  0.01726461
   0.94271367  0.73804626  0.30053019
   0.62385353  0.78900424  0.06275841
   0.88866216  0.98273747  0.35767279
   0.95950556  0.92969320  0.17365243
   0.70462751  0.85641964  0.23171958
   0.80272021  0.58937555  0.44869591
   0.56118476  0.66328524  0.38127431
   0.57894377  0.58656672  0.55314248
   0.80854685  0.75832068  0.81031149
   0.66911633  0.83466724  0.48550275
   0.95905845  0.97930001  0.82989697
   1.00575070  0.82080515  0.67158910
   0.77310272  0.98712779  0.69022979
   0.77423892  0.63010315  0.97175432
   0.51407636  0.73218285  0.88152436
   0.76553341  0.76312794  0.62309218
   0.82975972  1.08042251  0.55646540
   0.96622334  0.28603954  0.13901814
   0.75088435  1.16868582  0.17632369
   0.39705298  0.10728469  0.61644068
   0.38099508  0.29877761  0.50332892
   0.43774722  1.31657577 -0.08250320
  -0.20314808  1.57206009  0.03617395
   0.68362219  0.42190507  0.82755755
   0.59589778  0.57473408  0.70789217
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757850    0.303314    0.116460
    -0.000000    9.656045    0.257158
    -0.000000    0.000000   13.928298
   Si   O    H 
    32    64    10
Direct configuration=  3647
   0.13108839  0.18908399 -0.00565183
   0.35734659  0.11367174  0.38582909
   0.15740541  0.46464303  0.09401598
   0.38950550  0.36564436  0.24957396
   0.06547291  0.17628565  0.48278128
   0.36660472  0.09386459  0.87392362
   0.19495070  0.38520534  0.59507713
   0.38084120  0.38034940  0.76061205
   0.15878058  0.72821759 -0.01922960
   0.39670633  0.62306503  0.36191198
   0.12403483  0.95576042  0.13862158
   0.35896057  0.87477269  0.26670832
   0.14843354  0.63011416  0.48172760
   0.37556550  0.70505324  0.81015899
   0.08752715  0.89291842  0.58630899
   0.38196521  0.95247614  0.65993058
   0.62891212  0.12337285  0.99105465
   0.84121738  0.15247666  0.34011942
   0.59916292  0.41266167  0.08190737
   0.88513257  0.40050906  0.18272388
   0.62842316  0.19265786  0.49005250
   0.89165191  0.12803009  0.85980225
   0.63069761  0.45580588  0.63096125
   0.81393939  0.40577829  0.77290125
   0.58872467  0.68579670 -0.02163470
   0.90115520  0.58838400  0.35716605
   0.60990527  0.90526059  0.14390070
   0.86428215  0.87886916  0.26666794
   0.65320615  0.66940153  0.46896171
   0.88144265  0.64381171  0.87824871
   0.68662982  0.89305162  0.59888120
   0.88076400  0.88749210  0.74835495
   0.14621754  0.11068447  0.09657891
   0.40018178  0.20936990  0.29480683
   0.17179739  0.34823722  0.00602151
   0.41050825  0.46421142  0.33422883
   0.52902805  0.35127492  0.17815225
   0.25800991  0.40264074  0.18381185
   0.19965650  0.13503159  0.41878314
  -0.02788339  0.22183158  0.38985302
   0.00634965  0.03388686  0.53675972
   0.38031874  0.28171280  0.86134165
   0.07260532  0.28620239  0.56023107
   0.36151777  0.53512758  0.80716305
   0.49847073  0.36857993  0.69097195
   0.22917306  0.34687508  0.71172325
   0.21923790  0.09643919 -0.08284500
  -0.02899197  0.19761991  0.94903539
   0.23704968  0.59928073  0.04685172
   0.35044851  0.70762962  0.26337580
   0.16732190  0.84891736  0.05323130
   0.38997234  0.94883227  0.36368603
   0.45808646  0.93087349  0.18112915
   0.20821010  0.93942517  0.23998289
   0.30654166  0.64535130  0.46053512
   0.06943895  0.56665021  0.38650523
   0.31631708  0.37225711  0.51836021
   0.36912579  0.77407225  0.71001849
   0.10204983  0.78997117  0.49025225
   0.37767368  1.01425242  0.78058822
   0.52876419  0.89189835  0.62377235
   0.22525981  0.96921867  0.61049341
   0.24845706  0.76152654 -0.11629964
   0.01472174  0.66967841  0.94310877
   0.66354798  0.04437009  0.09165259
   0.80291237  0.22612405  0.22684397
   0.58334991  0.29480993 -0.00145351
   0.84159085  0.46634716  0.28501426
   0.00884164  0.52696790  0.13635049
   0.75413228  0.44003746  0.10745413
   0.68031047  0.18918975  0.38147510
   0.47560820  0.15795973  0.46836250
   0.73718782  0.06076401  0.52846716
   0.85947305  0.23823780  0.77885546
   0.65291312  0.33353940  0.54548235
   0.92053125  0.49903914  0.82439415
   1.13353543  0.54619679  0.58483918
   0.79500334  0.45302089  0.66071235
   0.74663457  0.09106404  0.91405509
   0.49350803  0.05978108  0.94710615
   0.52976954  0.53254739  0.01828923
   0.94173769  0.73733886  0.30121582
   0.62454023  0.78937461  0.06237665
   0.88886363  0.98413088  0.35800085
   0.95949428  0.93133300  0.17240462
   0.70487641  0.85718621  0.23220747
   0.80348263  0.58876965  0.44964212
   0.56222929  0.66386121  0.37844591
   0.57951052  0.58727809  0.55439813
   0.80841209  0.75933061  0.81027650
   0.66911193  0.83422942  0.48490594
   0.95723980  0.97817431  0.82986964
   1.00615344  0.82001009  0.67116460
   0.77333169  0.98716877  0.69028297
   0.77307067  0.62861534  0.97221598
   0.51596363  0.73276890  0.88056884
   0.76714625  0.77224756  0.62620916
   0.82456910  1.06968422  0.55077666
   0.96584422  0.29120360  0.14058124
   0.75320311  1.17104718  0.17972296
   0.39492329  0.10202128  0.61748326
   0.38146095  0.29543908  0.49795850
   0.43763482  1.31381436 -0.08440180
  -0.19854544  1.56846919  0.03328505
   0.67943766  0.42399749  0.82693832
   0.59605288  0.57182345  0.70644318
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758097    0.308106    0.119034
    -0.000000    9.657343    0.259649
    -0.000000    0.000000   13.926422
   Si   O    H 
    32    64    10
Direct configuration=  3648
   0.13091308  0.18920861 -0.00572544
   0.35810497  0.11444371  0.38606936
   0.15732197  0.46514432  0.09222488
   0.38856875  0.36607601  0.24970577
   0.06384470  0.17590979  0.48216523
   0.36508093  0.09427495  0.87501681
   0.19372621  0.38500233  0.59520911
   0.38139436  0.37947946  0.76044881
   0.15873588  0.72819896 -0.01886785
   0.39624134  0.62373451  0.36176084
   0.12499650  0.95587460  0.13831289
   0.35942980  0.87581066  0.26622789
   0.14926467  0.63096104  0.48194553
   0.37519173  0.70595843  0.81124908
   0.08671794  0.89207939  0.58552963
   0.38233706  0.95267858  0.65926915
   0.62947075  0.12378166  0.99145946
   0.84021987  0.15246795  0.33976657
   0.59893759  0.41242506  0.08135407
   0.88594905  0.40106782  0.18343072
   0.62732635  0.19183621  0.49015353
   0.89164648  0.12923847  0.85918664
   0.63061365  0.45750409  0.63135179
   0.81438283  0.40635219  0.77234604
   0.58895217  0.68623892 -0.02112901
   0.90107090  0.58827160  0.35674482
   0.61078448  0.90523888  0.14328548
   0.86370478  0.87836909  0.26733798
   0.65233020  0.66990648  0.46909755
   0.88218108  0.64320442  0.87734953
   0.68649270  0.89121122  0.59878795
   0.88081018  0.88858929  0.74831079
   0.14518074  0.11026890  0.09783800
   0.40026502  0.21036059  0.29432902
   0.17260201  0.34782812  0.00642503
   0.41031472  0.46436348  0.33477570
   0.52969614  0.35057160  0.17839324
   0.25799027  0.40439963  0.18371266
   0.20104996  0.13326149  0.41837776
  -0.02782355  0.22131261  0.39001155
   0.00616536  0.03447303  0.53618244
   0.37841373  0.28203583  0.86237016
   0.07286440  0.28667629  0.55860079
   0.36065879  0.53532008  0.80673651
   0.49822645  0.36822471  0.69133227
   0.22880318  0.34774235  0.71129658
   0.21984975  0.09649391 -0.08367790
  -0.02898021  0.19786715  0.94921689
   0.23691711  0.60093848  0.04539152
   0.35010973  0.70682316  0.26327373
   0.16838706  0.84712408  0.05315760
   0.38921543  0.94915273  0.36549216
   0.45846504  0.93033473  0.18133740
   0.20735988  0.93890084  0.23908319
   0.30466377  0.64630344  0.46106880
   0.06984402  0.56719103  0.38717437
   0.31557008  0.37159427  0.51891889
   0.36718509  0.77307985  0.70905493
   0.10078974  0.78809880  0.48972923
   0.37640009  1.01298843  0.77984735
   0.52790478  0.89294233  0.62342347
   0.22707073  0.96707922  0.61046179
   0.24815034  0.76012652 -0.11636256
   0.01395020  0.66938765  0.94365468
   0.66355686  0.04423989  0.09127055
   0.80219919  0.22600312  0.22686373
   0.58445474  0.29279843 -0.00136729
   0.84315935  0.46506317  0.28573047
   0.00750049  0.52757165  0.13591703
   0.75547332  0.43813359  0.10753758
   0.68150914  0.18760531  0.38024312
   0.47476175  0.15939697  0.46880763
   0.73595971  0.06272507  0.52871937
   0.86012966  0.23688630  0.77900792
   0.65233349  0.33426563  0.54552978
   0.91993500  0.50040474  0.82325825
   1.13168574  0.54621089  0.58562115
   0.79305053  0.45350933  0.66083460
   0.74540105  0.09265183  0.91437138
   0.49318535  0.05968839  0.94528167
   0.52954082  0.53421294  0.01880811
   0.94060497  0.73583075  0.30153867
   0.62473313  0.78880273  0.06191698
   0.88836294  0.98486085  0.35841793
   0.96032286  0.93429894  0.17109616
   0.70557062  0.85815026  0.23292347
   0.80390880  0.58844880  0.45029634
   0.56266041  0.66422761  0.37526258
   0.57993917  0.58809334  0.55602004
   0.80773733  0.75991272  0.81002384
   0.66983790  0.83375083  0.48443532
   0.95433129  0.97786538  0.82921517
   1.00629156  0.81924226  0.67106868
   0.77404607  0.98766196  0.69029818
   0.77190128  0.62787398  0.97277907
   0.51817219  0.73293576  0.87995240
   0.77144316  0.77333232  0.62984613
   0.83596329  1.06307560  0.54914325
   0.97212681  0.29300347  0.14216368
   0.75798691  1.17435443  0.18417136
   0.39762271  0.09506750  0.62077689
   0.38006117  0.29182847  0.49537604
   0.43951452  1.30847309 -0.08511597
  -0.19864085  1.56299348  0.02801673
   0.67787130  0.42791849  0.82402930
   0.59626147  0.56343206  0.70673405
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758228    0.312261    0.121567
    -0.000000    9.658531    0.261640
    -0.000000    0.000000   13.924567
   Si   O    H 
    32    64    10
Direct configuration=  3649
   0.12993160  0.18882310 -0.00630219
   0.35901363  0.11428790  0.38675568
   0.15701024  0.46573951  0.09090805
   0.38785494  0.36610537  0.24962077
   0.06300762  0.17501873  0.48181025
   0.36447802  0.09420453  0.87600438
   0.19247877  0.38559865  0.59548302
   0.38118797  0.37903749  0.76038241
   0.15892319  0.72693006 -0.01890836
   0.39566348  0.62419959  0.36192623
   0.12554590  0.95572733  0.13831149
   0.35986041  0.87678222  0.26556186
   0.14925222  0.63149375  0.48206660
   0.37492127  0.70681880  0.81224364
   0.08582984  0.89110683  0.58477315
   0.38264203  0.95221580  0.65869261
   0.63021390  0.12477620  0.99158838
   0.83886516  0.15216032  0.33938146
   0.59855898  0.41101226  0.08056430
   0.88660239  0.40152539  0.18375233
   0.62652426  0.19174778  0.48971678
   0.89194184  0.12993257  0.85904449
   0.63071775  0.45948250  0.63197431
   0.81504971  0.40684086  0.77144499
   0.58876977  0.68607032 -0.02069013
   0.90131544  0.58745911  0.35618442
   0.61181964  0.90495411  0.14268181
   0.86447810  0.87833611  0.26805480
   0.65247056  0.67061909  0.46955432
   0.88302632  0.64282050  0.87669923
   0.68693095  0.89020089  0.59884009
   0.88080970  0.88969683  0.74797729
   0.14407372  0.10974005  0.09924579
   0.40017490  0.21137407  0.29424693
   0.17256898  0.34755933  0.00719884
   0.41061938  0.46465350  0.33542777
   0.52980953  0.34986649  0.17779566
   0.25727170  0.40541031  0.18324684
   0.20250585  0.13263397  0.41848493
  -0.02801552  0.22129141  0.39021184
   0.00563067  0.03529661  0.53557524
   0.37631365  0.28209362  0.86320211
   0.07313526  0.28789616  0.55727666
   0.36076420  0.53517976  0.80616899
   0.49955768  0.36703494  0.69082041
   0.22943994  0.34842759  0.71087154
   0.22073130  0.09644350 -0.08404637
  -0.02920143  0.19770063  0.94958846
   0.23698876  0.60173018  0.04437981
   0.34956224  0.70699723  0.26293085
   0.16990312  0.84530990  0.05403379
   0.38899610  0.94943066  0.36724552
   0.45722189  0.93058076  0.18166047
   0.20705943  0.93776339  0.23834085
   0.30404194  0.64646313  0.46105303
   0.06992663  0.56741059  0.38906837
   0.31462770  0.36998399  0.51924347
   0.36616543  0.77270310  0.70800480
   0.09920680  0.78677780  0.48999199
   0.37553558  1.01146773  0.77905564
   0.52690295  0.89398695  0.62378060
   0.22886274  0.96441573  0.61036672
   0.24867751  0.75921350 -0.11625474
   0.01349400  0.66903214  0.94424738
   0.66339316  0.04445684  0.09077449
   0.80234977  0.22674354  0.22785350
   0.58526870  0.29096677 -0.00107611
   0.84457666  0.46325072  0.28715995
   0.00567755  0.52803726  0.13606644
   0.75693802  0.43597764  0.10759867
   0.68387956  0.18655018  0.37941760
   0.47360142  0.16049161  0.46910805
   0.73491191  0.06511476  0.52890017
   0.86089466  0.23669275  0.77869400
   0.65197778  0.33490423  0.54540135
   0.91976023  0.50145049  0.82254845
   1.12977889  0.54530619  0.58614499
   0.79128380  0.45421043  0.66110471
   0.74463429  0.09446769  0.91420882
   0.49279523  0.05922272  0.94346022
   0.52847310  0.53622068  0.01941414
   0.93923619  0.73401798  0.30171757
   0.62393973  0.78829794  0.06191324
   0.88816082  0.98578559  0.35860176
   0.96128151  0.93699517  0.17038419
   0.70611085  0.85862744  0.23368622
   0.80435483  0.58774106  0.45064040
   0.56291921  0.66393772  0.37254015
   0.57976470  0.58882949  0.55777003
   0.80761803  0.76118873  0.80967503
   0.67119345  0.83298919  0.48364083
   0.95240542  0.97809135  0.82863985
   1.00628961  0.81955496  0.67150496
   0.77433904  0.98841930  0.69015481
   0.77004211  0.62799658  0.97314042
   0.51958985  0.73363984  0.87941154
   0.77724009  0.77439476  0.63343392
   0.84524313  1.05741680  0.54640699
   0.98033748  0.29891710  0.14037212
   0.75510777  1.16637102  0.18039873
   0.40097556  0.08939088  0.62671128
   0.37133527  0.29450323  0.49400416
   0.44556490  1.30547868 -0.08410526
  -0.20227122  1.55916276  0.02223886
   0.67735967  0.42908050  0.82010276
   0.59607370  0.55775392  0.70779770
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758418    0.316619    0.124198
    -0.000000    9.659686    0.264092
    -0.000000    0.000000   13.922864
   Si   O    H 
    32    64    10
Direct configuration=  3650
   0.12934769  0.18867896 -0.00662520
   0.35957622  0.11385157  0.38773358
   0.15692065  0.46629117  0.08998808
   0.38770456  0.36598786  0.24919165
   0.06216922  0.17399146  0.48113171
   0.36448610  0.09493907  0.87681626
   0.19062754  0.38632721  0.59590052
   0.38085380  0.37902711  0.76051577
   0.15944392  0.72596101 -0.01935466
   0.39461727  0.62496231  0.36182143
   0.12533223  0.95476249  0.13883173
   0.35979774  0.87789376  0.26496875
   0.14913281  0.63174679  0.48278066
   0.37427529  0.70734281  0.81331074
   0.08502036  0.89069321  0.58394570
   0.38269837  0.95183567  0.65834194
   0.63065134  0.12541781  0.99153716
   0.83758825  0.15243546  0.33936215
   0.59789652  0.40984636  0.07988850
   0.88783912  0.40206436  0.18380189
   0.62624088  0.19155317  0.48964943
   0.89179748  0.13020113  0.85985049
   0.63048977  0.46178338  0.63197596
   0.81543906  0.40706834  0.77092448
   0.58875322  0.68548715 -0.02049120
   0.90188054  0.58659157  0.35582262
   0.61343901  0.90491795  0.14209565
   0.86588692  0.87797970  0.26902615
   0.65246272  0.67141608  0.46972472
   0.88338652  0.64199943  0.87607482
   0.68714817  0.88983738  0.59867871
   0.88090740  0.89112543  0.74788588
   0.14216785  0.10920610  0.10070247
   0.39968808  0.21205578  0.29461287
   0.17214727  0.34747998  0.00858726
   0.41034469  0.46503400  0.33630747
   0.52974606  0.34973469  0.17695061
   0.25648312  0.40579798  0.18284053
   0.20337472  0.13227635  0.41891602
  -0.02819427  0.22082854  0.39077203
   0.00525995  0.03593237  0.53490510
   0.37403031  0.28171194  0.86358534
   0.07298564  0.28876094  0.55688398
   0.36177659  0.53510579  0.80550152
   0.50119039  0.36519440  0.68971907
   0.23100406  0.34927856  0.71019201
   0.21985282  0.09611767 -0.08403130
  -0.02947679  0.19746545  0.95025980
   0.23681022  0.60230233  0.04351402
   0.34861192  0.70746380  0.26281233
   0.17040695  0.84403714  0.05511193
   0.38883129  0.94966243  0.36970912
   0.45617435  0.93070012  0.18177345
   0.20716117  0.93662267  0.23767060
   0.30505724  0.64619611  0.46056476
   0.07021404  0.56746808  0.39041592
   0.31298001  0.36864759  0.51912668
   0.36542696  0.77277541  0.70699936
   0.09692577  0.78577564  0.49082965
   0.37518456  1.00984294  0.77851537
   0.52701373  0.89420638  0.62423220
   0.22968457  0.96155041  0.61016220
   0.24956854  0.75840338 -0.11623676
   0.01367233  0.66914753  0.94543559
   0.66327662  0.04529111  0.09054813
   0.80248845  0.22724353  0.22847650
   0.58622752  0.28953484 -0.00034042
   0.84588643  0.46110195  0.28848507
   0.00393565  0.52699662  0.13589026
   0.75863664  0.43501829  0.10839527
   0.68666381  0.18576249  0.37861230
   0.47068679  0.16145774  0.46949014
   0.73403657  0.06674282  0.52941832
   0.86112414  0.23697186  0.77838427
   0.65141754  0.33541550  0.54555663
   0.92017385  0.50188708  0.82247522
   1.12730960  0.54408355  0.58688958
   0.79002024  0.45478119  0.66102887
   0.74412108  0.09587635  0.91398335
   0.49234387  0.05895144  0.94186990
   0.52800554  0.53891455  0.01966028
   0.93764459  0.73283441  0.30189296
   0.62275986  0.78780878  0.06213897
   0.88789920  0.98646818  0.35866585
   0.96173560  0.93954461  0.17030679
   0.70671473  0.85815069  0.23455253
   0.80500933  0.58801866  0.45103703
   0.56170870  0.66353131  0.37037223
   0.57994746  0.58927689  0.55950829
   0.80767801  0.76249911  0.80956511
   0.67112173  0.83171027  0.48360827
   0.95066252  0.97893198  0.82872669
   1.00621570  0.81972330  0.67215498
   0.77449825  0.98892136  0.69040527
   0.76814023  0.62754817  0.97257013
   0.52107869  0.73441223  0.87886344
   0.77969189  0.77267623  0.63411564
   0.85112397  1.05565571  0.54118863
   0.98709745  0.30462765  0.14101849
   0.75581796  1.16042652  0.17807487
   0.40385563  0.09403933  0.63131760
   0.36720023  0.29522284  0.49372429
   0.45121786  1.30073423 -0.08348180
  -0.20184409  1.55196283  0.02104020
   0.68177940  0.42896440  0.81449997
   0.59994557  0.55592758  0.71115269
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758534    0.321323    0.127225
    -0.000000    9.660249    0.266664
    -0.000000    0.000000   13.921382
   Si   O    H 
    32    64    10
Direct configuration=  3651
   0.12880977  0.18761078 -0.00704299
   0.36121246  0.11330744  0.38900753
   0.15694140  0.46657757  0.08927032
   0.38765352  0.36630130  0.24869743
   0.06156222  0.17316408  0.47974545
   0.36503540  0.09568075  0.87683707
   0.18903546  0.38675642  0.59639772
   0.37984998  0.37929889  0.76082469
   0.15985330  0.72501003 -0.02016570
   0.39446260  0.62642217  0.36139860
   0.12454931  0.95365969  0.13920572
   0.35865901  0.87857448  0.26448897
   0.14859799  0.63132758  0.48372381
   0.37366262  0.70719000  0.81405937
   0.08451360  0.89069568  0.58327102
   0.38203769  0.95164617  0.65841168
   0.63054531  0.12575877  0.99138854
   0.83657830  0.15366330  0.33962616
   0.59808144  0.40797058  0.07943066
   0.88871805  0.40305182  0.18351002
   0.62670478  0.19201353  0.48974558
   0.89172861  0.12979347  0.86075356
   0.63001917  0.46430600  0.63198945
   0.81560491  0.40700955  0.77013982
   0.58915150  0.68438785 -0.02065464
   0.90281549  0.58578205  0.35523141
   0.61512570  0.90484839  0.14152546
   0.86717235  0.87736817  0.26991682
   0.65249382  0.67196570  0.46921206
   0.88402538  0.64124074  0.87548376
   0.68718596  0.88943989  0.59842169
   0.88134974  0.89256997  0.74744259
   0.14127437  0.10931490  0.10162156
   0.39894335  0.21271730  0.29485567
   0.17171737  0.34762096  0.00956621
   0.41024141  0.46494364  0.33703837
   0.52956254  0.35057574  0.17606940
   0.25530148  0.40668604  0.18184645
   0.20365493  0.13178965  0.41923867
  -0.02889182  0.22071706  0.39070253
   0.00415375  0.03632699  0.53390345
   0.37264471  0.28100064  0.86387783
   0.07273033  0.28970353  0.55685842
   0.36221935  0.53516181  0.80468951
   0.50336047  0.36315216  0.68859468
   0.23200595  0.34988778  0.70948088
   0.21791782  0.09487404 -0.08326397
  -0.02915193  0.19846836  0.95078938
   0.23624574  0.60172376  0.04272261
   0.34796111  0.70793573  0.26329981
   0.17097198  0.84235339  0.05586564
   0.38845895  0.94979508  0.37202603
   0.45562124  0.93083334  0.18168629
   0.20799249  0.93568959  0.23669742
   0.30710225  0.64599429  0.45990701
   0.07028267  0.56756610  0.39172906
   0.31158628  0.36792028  0.51920695
   0.36464409  0.77316848  0.70662086
   0.09448183  0.78552403  0.49194600
   0.37572728  1.00779162  0.77811555
   0.52864002  0.89454392  0.62440976
   0.23069693  0.95854353  0.60986168
   0.24996574  0.75779263 -0.11577188
   0.01377367  0.66965643  0.94625951
   0.66372720  0.04609455  0.09021380
   0.80265433  0.22598576  0.22834854
   0.58684703  0.28810189  0.00006104
   0.84776890  0.45924660  0.28937841
   0.00226647  0.52558845  0.13577907
   0.75907471  0.43413791  0.10893662
   0.68940686  0.18571563  0.37767017
   0.46685507  0.16158094  0.46976677
   0.73305211  0.06771490  0.53018879
   0.86112054  0.23758583  0.77798105
   0.65154180  0.33561412  0.54515570
   0.92059327  0.50172285  0.82253820
   1.12610707  0.54395035  0.58727418
   0.79091039  0.45472934  0.66098486
   0.74408474  0.09698638  0.91364811
   0.49208653  0.05859643  0.94102186
   0.52842422  0.54165203  0.01986332
   0.93622165  0.73195143  0.30181858
   0.62169116  0.78724498  0.06235902
   0.88702457  0.98735848  0.35845941
   0.96169672  0.94181986  0.17032570
   0.70705168  0.85737444  0.23563371
   0.80608078  0.58873980  0.45086565
   0.56032151  0.66267313  0.36865086
   0.57994907  0.58964393  0.56106747
   0.80775696  0.76373202  0.80924898
   0.67109027  0.83119791  0.48369032
   0.94904582  0.97928551  0.82928165
   1.00571698  0.81985491  0.67305602
   0.77492351  0.98896213  0.69057572
   0.76575158  0.62811057  0.97142177
   0.52281000  0.73383361  0.87836816
   0.78207335  0.77191425  0.63517376
   0.85166116  1.05669575  0.53489131
   0.99288295  0.30764801  0.14166445
   0.76298715  1.16351505  0.17969178
   0.40549405  0.10345863  0.63367858
   0.36547868  0.29268594  0.49358424
   0.44695700  1.29666465 -0.08590340
  -0.20177738  1.54735410  0.02232112
   0.68737352  0.42761290  0.81289282
   0.60419322  0.55924939  0.71640481
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758518    0.325688    0.129797
    -0.000000    9.661049    0.269575
    -0.000000    0.000000   13.919640
   Si   O    H 
    32    64    10
Direct configuration=  3652
   0.12757957  0.18620270 -0.00753623
   0.36253653  0.11293512  0.39001389
   0.15697791  0.46661725  0.08923038
   0.38744455  0.36633864  0.24755063
   0.06168203  0.17153324  0.47833273
   0.36506722  0.09627019  0.87635976
   0.18702540  0.38708617  0.59683414
   0.37888060  0.37975450  0.76100862
   0.15995469  0.72375283 -0.02092900
   0.39459188  0.62785898  0.36092946
   0.12336587  0.95220631  0.13955449
   0.35755851  0.87917814  0.26436117
   0.14799759  0.63042403  0.48436598
   0.37325525  0.70703529  0.81442949
   0.08440682  0.89096982  0.58307501
   0.38202694  0.95168358  0.65869583
   0.63044346  0.12522486  0.99107474
   0.83626604  0.15485237  0.33945098
   0.59880367  0.40615993  0.07904793
   0.88954282  0.40426297  0.18313775
   0.62651717  0.19215321  0.49012671
   0.89098401  0.12948015  0.86131716
   0.62942243  0.46687713  0.63209042
   0.81581216  0.40591260  0.76928877
   0.58942675  0.68319677 -0.02073955
   0.90387230  0.58499396  0.35445579
   0.61608116  0.90518389  0.14125632
   0.86878707  0.87710503  0.27056549
   0.65238768  0.67185321  0.46894725
   0.88472712  0.64148889  0.87459672
   0.68703937  0.88926874  0.59832797
   0.88139232  0.89433319  0.74657584
   0.14074488  0.10965227  0.10141599
   0.39810596  0.21273999  0.29565857
   0.17100164  0.34696718  0.01071909
   0.41006846  0.46531161  0.33700013
   0.52887193  0.35143084  0.17509274
   0.25409816  0.40714676  0.18095833
   0.20388830  0.13132619  0.42026829
  -0.03072546  0.22068735  0.39035900
   0.00268858  0.03605494  0.53370121
   0.37183579  0.28029550  0.86379038
   0.07213185  0.28996910  0.55734991
   0.36244131  0.53509360  0.80401319
   0.50531957  0.36063342  0.68738539
   0.23299505  0.35023764  0.70890952
   0.21535414  0.09322046 -0.08206237
  -0.02840763  0.19897674  0.95128045
   0.23636848  0.59977668  0.04258564
   0.34774514  0.70875259  0.26377392
   0.17146316  0.84059521  0.05728024
   0.38824944  0.95093165  0.37338282
   0.45534087  0.93057757  0.18095853
   0.20965265  0.93447416  0.23613576
   0.30883973  0.64680695  0.45918634
   0.07013647  0.56726861  0.39368869
   0.31021248  0.36759726  0.51888686
   0.36363064  0.77296274  0.70649520
   0.09204328  0.78553879  0.49274369
   0.37540485  1.00670770  0.77791879
   0.53087293  0.89541998  0.62504192
   0.23064339  0.95566965  0.60914835
   0.25018866  0.75779064 -0.11488631
   0.01369932  0.66991998  0.94699973
   0.66477145  0.04583289  0.08963599
   0.80326442  0.22395828  0.22829406
   0.58712231  0.28677205  0.00094189
   0.84953762  0.45663509  0.29040714
   0.00105115  0.52496407  0.13571725
   0.75907178  0.43294223  0.10858376
   0.69156958  0.18544254  0.37684734
   0.46373303  0.16093954  0.47034556
   0.73254139  0.06870819  0.53035517
   0.86066315  0.23928438  0.77728535
   0.65178912  0.33588116  0.54440094
   0.92182908  0.50219942  0.82186382
   1.12571746  0.54422875  0.58730366
   0.79185430  0.45503939  0.66110509
   0.74406993  0.09789399  0.91366165
   0.49190152  0.05846026  0.94006566
   0.52891840  0.54371219  0.02070202
   0.93457974  0.73138784  0.30179618
   0.62092788  0.78680721  0.06214649
   0.88603416  0.98836734  0.35766073
   0.96101735  0.94366910  0.17065097
   0.70772386  0.85746673  0.23620582
   0.80626935  0.58937711  0.45063501
   0.55832298  0.66218297  0.36769633
   0.57974917  0.59118574  0.56233336
   0.80849849  0.76499481  0.80907397
   0.67179736  0.83079619  0.48351460
   0.94754047  0.97952507  0.82927565
   1.00605354  0.82039442  0.67386982
   0.77503885  0.98928469  0.69092556
   0.76338028  0.62711466  0.97046786
   0.52399175  0.73323640  0.87834378
   0.78298371  0.76819766  0.63373617
   0.84745134  1.05663421  0.53160404
   0.99565447  0.30667753  0.14244062
   0.77212193  1.16516402  0.18380351
   0.40644301  0.10949396  0.63799154
   0.36826521  0.28605348  0.49410186
   0.44149486  1.29774905 -0.08901503
  -0.20451103  1.54814312  0.02516865
   0.68322742  0.42517936  0.81625164
   0.60642597  0.56620982  0.72168900
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758130    0.329977    0.132391
    -0.000000    9.661870    0.272624
    -0.000000    0.000000   13.917799
   Si   O    H 
    32    64    10
Direct configuration=  3653
   0.12621775  0.18524264 -0.00785037
   0.36302874  0.11230180  0.39084418
   0.15688730  0.46680868  0.08958543
   0.38768710  0.36680327  0.24608105
   0.06197034  0.17008357  0.47730867
   0.36578902  0.09599081  0.87574850
   0.18509432  0.38713321  0.59746950
   0.37760587  0.37994274  0.76098169
   0.16017673  0.72257099 -0.02183133
   0.39510982  0.62867809  0.36052093
   0.12216252  0.95059033  0.13937569
   0.35655854  0.88014259  0.26488303
   0.14780357  0.62956702  0.48487492
   0.37354170  0.70685461  0.81476673
   0.08463064  0.89226302  0.58268081
   0.38228363  0.95192174  0.65953473
   0.63013924  0.12499631  0.99080917
   0.83612615  0.15525848  0.33896333
   0.59940806  0.40487968  0.07845912
   0.89081868  0.40585192  0.18266826
   0.62677742  0.19267355  0.49084719
   0.89029622  0.12951906  0.86196541
   0.62796077  0.46886679  0.63223563
   0.81658093  0.40507048  0.76865162
   0.58999355  0.68200341 -0.02112832
   0.90471017  0.58367781  0.35410703
   0.61657273  0.90531328  0.14131323
   0.86983549  0.87729497  0.27104268
   0.65240514  0.67161009  0.46900550
   0.88555159  0.64230832  0.87457236
   0.68705891  0.88927139  0.59786703
   0.88118200  0.89579834  0.74562613
   0.14133469  0.10998309  0.10091251
   0.39692318  0.21192040  0.29560319
   0.17033796  0.34538317  0.01161202
   0.41031740  0.46589300  0.33759784
   0.52818075  0.35214981  0.17408710
   0.25320993  0.40699716  0.18008626
   0.20444555  0.13106952  0.42153039
  -0.03320743  0.22123848  0.38997717
   0.00185057  0.03527701  0.53408943
   0.37179218  0.27830320  0.86342054
   0.07205152  0.29099806  0.55810070
   0.36197647  0.53643762  0.80339092
   0.50613654  0.35772128  0.68649205
   0.23336332  0.35022727  0.70808030
   0.21246591  0.09132073 -0.08087393
  -0.02770349  0.19966521  0.95158857
   0.23651299  0.59812393  0.04230201
   0.34796336  0.70940434  0.26465546
   0.17186532  0.84023524  0.05848330
   0.38869272  0.95099318  0.37401917
   0.45656748  0.93077351  0.18018528
   0.21045241  0.93343770  0.23572041
   0.31093400  0.64675484  0.45884713
   0.06944307  0.56687243  0.39593216
   0.30834178  0.36736054  0.51910999
   0.36279964  0.77264392  0.70655161
   0.09031867  0.78652820  0.49397186
   0.37420845  1.00580869  0.77788991
   0.53368533  0.89598910  0.62539302
   0.22929301  0.95269491  0.60856854
   0.25070918  0.75835111 -0.11437856
   0.01310062  0.67053466  0.94786076
   0.66627003  0.04540376  0.08889679
   0.80468877  0.22249209  0.22854364
   0.58754433  0.28596672  0.00157269
   0.85120699  0.45536929  0.29145505
   0.00054979  0.52451456  0.13508242
   0.75878483  0.43278594  0.10785383
   0.69239363  0.18529931  0.37692675
   0.46204925  0.16014918  0.47125165
   0.73178536  0.06895504  0.53121647
   0.86066601  0.24172075  0.77643620
   0.65113009  0.33528549  0.54369953
   0.92285677  0.50206254  0.82108371
   1.12557920  0.54496227  0.58765709
   0.79343984  0.45534683  0.66090915
   0.74433154  0.09966089  0.91346265
   0.49242978  0.05837775  0.93960067
   0.52986802  0.54428559  0.02170536
   0.93271625  0.73099069  0.30208160
   0.62004265  0.78649834  0.06254657
   0.88484768  0.98946282  0.35661331
   0.96005197  0.94516103  0.17125284
   0.70826455  0.85766896  0.23647798
   0.80649090  0.58972531  0.45050261
   0.55714872  0.66108083  0.36729587
   0.57948999  0.59384089  0.56304375
   0.80992284  0.76551305  0.80888642
   0.67191781  0.83104801  0.48303754
   0.94706612  0.98015620  0.82900487
   1.00555846  0.82033011  0.67452744
   0.77527764  0.98913587  0.69126593
   0.76139155  0.62587886  0.96943028
   0.52434189  0.73272470  0.87887797
   0.77981827  0.76322910  0.63071027
   0.83755844  1.06119609  0.52882539
   0.99203929  0.29957252  0.14112777
   0.77588822  1.15532115  0.17911095
   0.40368946  0.10930613  0.64379102
   0.36979112  0.28827567  0.49615654
   0.43982658  1.30616306 -0.08894059
  -0.21067318  1.55586096  0.02555176
   0.67469683  0.41967428  0.82180252
   0.60642794  0.57025980  0.72661046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.757310    0.334583    0.134796
    -0.000000    9.662773    0.275632
    -0.000000    0.000000   13.915667
   Si   O    H 
    32    64    10
Direct configuration=  3654
   0.12473880  0.18457576 -0.00759878
   0.36330970  0.11196166  0.39136913
   0.15679558  0.46735211  0.08973359
   0.38776163  0.36712065  0.24479395
   0.06205544  0.16881895  0.47645549
   0.36601815  0.09510397  0.87550606
   0.18358376  0.38734862  0.59780260
   0.37619253  0.38031174  0.76076527
   0.16078938  0.72078483 -0.02273760
   0.39578175  0.62930756  0.35996844
   0.12059742  0.94908033  0.13894122
   0.35573085  0.88049327  0.26505003
   0.14791440  0.62877560  0.48547597
   0.37370143  0.70622075  0.81493945
   0.08458719  0.89347102  0.58201628
   0.38241264  0.95184905  0.66033433
   0.62981812  0.12478348  0.99050761
   0.83660388  0.15545955  0.33859505
   0.59980089  0.40449363  0.07810298
   0.89256611  0.40753113  0.18183634
   0.62727885  0.19366817  0.49204002
   0.89003770  0.12942961  0.86267287
   0.62714653  0.47006699  0.63267205
   0.81735481  0.40408019  0.76778622
   0.59024053  0.68080029 -0.02161416
   0.90590627  0.58273227  0.35406189
   0.61641832  0.90558754  0.14162671
   0.87047031  0.87754934  0.27149122
   0.65191360  0.67134904  0.46899021
   0.88678727  0.64280213  0.87437782
   0.68738013  0.88916468  0.59787510
   0.88138570  0.89627820  0.74522551
   0.14259157  0.11087652  0.10023095
   0.39526614  0.21126455  0.29561258
   0.16973715  0.34401973  0.01243019
   0.41096629  0.46645402  0.33801531
   0.52682850  0.35343666  0.17306979
   0.25258659  0.40725785  0.17982058
   0.20497691  0.13059252  0.42188387
  -0.03643083  0.22207486  0.38951300
   0.00045104  0.03444696  0.53448412
   0.37075946  0.27608260  0.86247278
   0.07120802  0.29194844  0.55860600
   0.36216822  0.53812357  0.80282385
   0.50572463  0.35545445  0.68618501
   0.23354138  0.35049329  0.70779080
   0.21101865  0.09020739 -0.08015040
  -0.02817835  0.19963745  0.95136134
   0.23663562  0.59700926  0.04153361
   0.34822980  0.71118692  0.26527634
   0.17181734  0.84031855  0.05927047
   0.38849688  0.94996999  0.37316557
   0.45840554  0.93077581  0.17902856
   0.21007853  0.93319743  0.23492962
   0.31351257  0.64626601  0.45916480
   0.06865473  0.56706637  0.39764903
   0.30665597  0.36680322  0.51958082
   0.36201091  0.77195135  0.70682189
   0.08901644  0.78756986  0.49559869
   0.37333052  1.00490720  0.77840964
   0.53577773  0.89576451  0.62656228
   0.22819625  0.94942959  0.60851941
   0.25135616  0.75888347 -0.11402072
   0.01205753  0.67104254  0.94775768
   0.66876793  0.04509954  0.08859516
   0.80635505  0.22041831  0.22822941
   0.58800148  0.28450151  0.00233117
   0.85324906  0.45400924  0.29184760
   0.00054783  0.52382826  0.13402525
   0.75811597  0.43250308  0.10648518
   0.69153711  0.18552868  0.37770110
   0.46054822  0.15902672  0.47246208
   0.73170662  0.06985137  0.53220013
   0.86070240  0.24403707  0.77534696
   0.65013697  0.33529328  0.54306867
   0.92417008  0.50269489  0.82038091
   1.12579040  0.54607947  0.58843207
   0.79526477  0.45663996  0.66056209
   0.74529014  0.10112921  0.91288735
   0.49335557  0.05811906  0.93943878
   0.53102249  0.54375402  0.02254208
   0.93040719  0.73069646  0.30247982
   0.61852464  0.78643502  0.06308102
   0.88328521  0.99030307  0.35544128
   0.95800186  0.94615498  0.17150996
   0.70870472  0.85821539  0.23666998
   0.80601536  0.59007997  0.45038046
   0.55625733  0.66074184  0.36691029
   0.57897596  0.59663322  0.56328111
   0.81124428  0.76604194  0.80885384
   0.67259978  0.83167020  0.48284842
   0.94653881  0.98023585  0.82905870
   1.00533721  0.82049270  0.67554160
   0.77465248  0.98910557  0.69168181
   0.76051038  0.62451203  0.96792745
   0.52367824  0.73171232  0.87945424
   0.77214032  0.76295547  0.62914348
   0.82747898  1.06574568  0.52767275
   0.98432273  0.29513157  0.14018570
   0.78094612  1.14806131  0.17577037
   0.40154311  0.10036836  0.64648077
   0.36865823  0.29373438  0.50060868
   0.44102878  1.31302775 -0.08987559
  -0.21775354  1.56745233  0.02534037
   0.67288225  0.41610418  0.82481665
   0.60783670  0.57188799  0.72629286
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756463    0.339274    0.137034
    -0.000000    9.663396    0.277847
    -0.000000    0.000000   13.913899
   Si   O    H 
    32    64    10
Direct configuration=  3655
   0.12367769  0.18387317 -0.00680974
   0.36352933  0.11196210  0.39181261
   0.15694718  0.46807957  0.08958429
   0.38769197  0.36737191  0.24349749
   0.06192020  0.16862771  0.47624847
   0.36655507  0.09303552  0.87524330
   0.18264595  0.38730401  0.59817150
   0.37466675  0.38114688  0.76059738
   0.16185872  0.71971929 -0.02338651
   0.39586267  0.62968319  0.36023658
   0.11936928  0.94767230  0.13856140
   0.35512154  0.88028723  0.26553776
   0.14819125  0.62866302  0.48564921
   0.37363222  0.70544469  0.81508673
   0.08470345  0.89499295  0.58157514
   0.38236133  0.95121867  0.66099917
   0.62903573  0.12454813  0.99042163
   0.83721199  0.15514752  0.33775294
   0.60041393  0.40430218  0.07771395
   0.89429976  0.40865887  0.18076093
   0.62821269  0.19456249  0.49246509
   0.89087909  0.12966894  0.86364490
   0.62600807  0.47104448  0.63340443
   0.81849647  0.40403001  0.76694384
   0.59111061  0.67953850 -0.02217427
   0.90715246  0.58153835  0.35388414
   0.61568781  0.90567817  0.14209871
   0.87099183  0.87869213  0.27186938
   0.65144909  0.67111115  0.46859353
   0.88770728  0.64280017  0.87417336
   0.68845162  0.88923109  0.59772296
   0.88169621  0.89628404  0.74468314
   0.14366353  0.11048316  0.09932640
   0.39367148  0.21106488  0.29544380
   0.16927552  0.34224893  0.01356267
   0.41078637  0.46619925  0.33809744
   0.52576312  0.35435830  0.17228652
   0.25236268  0.40751211  0.17975282
   0.20591749  0.13018788  0.42303375
  -0.03989392  0.22292764  0.38823867
  -0.00053978  0.03403818  0.53493611
   0.36947873  0.27464060  0.86175174
   0.06987386  0.29237843  0.55876905
   0.36214196  0.53929738  0.80262558
   0.50499713  0.35361129  0.68564756
   0.23290250  0.35063195  0.70759299
   0.21014065  0.08903892 -0.07932630
  -0.03011537  0.19945318  0.95056429
   0.23693714  0.59638077  0.04102189
   0.34789948  0.71321937  0.26563212
   0.17128529  0.84031842  0.05966676
   0.38723947  0.94911328  0.37237423
   0.46022474  0.93122930  0.17778158
   0.20958103  0.93351835  0.23410714
   0.31564867  0.64510003  0.46042335
   0.06757843  0.56709897  0.39928143
   0.30499008  0.36710821  0.51991281
   0.36155717  0.77078655  0.70669979
   0.08793498  0.78818745  0.49637380
   0.37237605  1.00454101  0.77941725
   0.53719703  0.89579490  0.62769808
   0.22776558  0.94703067  0.60781609
   0.25130720  0.75936027 -0.11335303
   0.01135226  0.67242712  0.94760878
   0.67083239  0.04435697  0.08798029
   0.80794816  0.21847522  0.22754183
   0.58771752  0.28242475  0.00275112
   0.85511834  0.45317746  0.29223398
   0.00071676  0.52250650  0.13297370
   0.75730485  0.43214057  0.10529714
   0.69026906  0.18621564  0.37884817
   0.46022495  0.15794468  0.47382646
   0.73081041  0.07038748  0.53318510
   0.86022295  0.24586764  0.77466275
   0.64924981  0.33518234  0.54268442
   0.92440210  0.50287210  0.81929919
   1.12640874  0.54719511  0.58911425
   0.79727238  0.45755012  0.65959111
   0.74561479  0.10262346  0.91259282
   0.49512343  0.05782319  0.93992474
   0.53165596  0.54388161  0.02359743
   0.92868015  0.73077236  0.30219167
   0.61722570  0.78643298  0.06331952
   0.88259399  0.99133479  0.35466134
   0.95633777  0.94713549  0.17142506
   0.71014930  0.85883537  0.23685740
   0.80580903  0.58992540  0.44986596
   0.55617778  0.66036845  0.36695698
   0.57801539  0.59965033  0.56326831
   0.81266400  0.76643259  0.80865394
   0.67277914  0.83241853  0.48239426
   0.94650858  0.98104662  0.82904772
   1.00453908  0.82058414  0.67632514
   0.77357082  0.98871256  0.69176540
   0.75946251  0.62352721  0.96585890
   0.52256443  0.73009872  0.88011887
   0.76247768  0.76268281  0.62740816
   0.82655928  1.06688819  0.53027468
   0.97600963  0.29399907  0.13859195
   0.78707265  1.15056742  0.17377790
   0.40045047  0.09411775  0.64754693
   0.37200394  0.29539137  0.50473858
   0.44016390  1.31679549 -0.09110682
  -0.21861489  1.57437451  0.02703918
   0.67771945  0.41089521  0.82651794
   0.61173918  0.56953463  0.72144409
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.755858    0.343484    0.139075
    -0.000000    9.664034    0.279541
    -0.000000    0.000000   13.911485
   Si   O    H 
    32    64    10
Direct configuration=  3656
   0.12281882  0.18285636 -0.00580087
   0.36326564  0.11136429  0.39209478
   0.15822033  0.46872973  0.08985774
   0.38721580  0.36814449  0.24241750
   0.06223780  0.16858908  0.47590909
   0.36731875  0.09043624  0.87408408
   0.18191378  0.38750208  0.59835677
   0.37372876  0.38173139  0.75987511
   0.16253221  0.71913803 -0.02397815
   0.39594630  0.62959028  0.36046585
   0.11792515  0.94693316  0.13817149
   0.35470279  0.88043067  0.26569754
   0.14837776  0.62825191  0.48615376
   0.37375306  0.70548425  0.81508004
   0.08433355  0.89645774  0.58131583
   0.38250543  0.95054531  0.66130050
   0.62827190  0.12444426  0.99067620
   0.83769502  0.15464643  0.33666049
   0.60103425  0.40443906  0.07717472
   0.89566217  0.40940904  0.17918707
   0.62956872  0.19502118  0.49249142
   0.89108977  0.13041906  0.86451762
   0.62533854  0.47188841  0.63386816
   0.81990478  0.40378743  0.76611836
   0.59103349  0.67830761 -0.02283736
   0.90854059  0.58119508  0.35402608
   0.61477799  0.90629758  0.14242639
   0.87125872  0.87943745  0.27209508
   0.65087478  0.67036711  0.46811016
   0.88880249  0.64267913  0.87372318
   0.68962471  0.88893329  0.59764912
   0.88163907  0.89607181  0.74431778
   0.14324304  0.10979038  0.09832527
   0.39202962  0.21071689  0.29503570
   0.16843776  0.34083976  0.01473552
   0.41109369  0.46545581  0.33726280
   0.52373540  0.35536385  0.17138454
   0.25255506  0.40894293  0.17923994
   0.20566666  0.13093746  0.42455703
  -0.04274665  0.22429318  0.38731642
  -0.00190283  0.03423757  0.53535577
   0.36808546  0.27448540  0.86135365
   0.06782608  0.29185473  0.55855312
   0.36240113  0.54034809  0.80258215
   0.50367904  0.35074208  0.68589210
   0.23187186  0.35091548  0.70754568
   0.21032238  0.08842409 -0.07844217
  -0.03179643  0.19989041  0.95012408
   0.23736233  0.59511702  0.04062818
   0.34738912  0.71531453  0.26596935
   0.17049093  0.83925566  0.05991920
   0.38623911  0.94888708  0.37108431
   0.46205111  0.93143091  0.17649349
   0.20896782  0.93420186  0.23375680
   0.31719390  0.64520393  0.46126197
   0.06612655  0.56732128  0.40063606
   0.30346346  0.36764405  0.51993605
   0.36133749  0.76966866  0.70643411
   0.08676215  0.78913290  0.49698432
   0.37227214  1.00392681  0.78092695
   0.53834492  0.89562590  0.62910371
   0.22825179  0.94475085  0.60742708
   0.25172267  0.75922179 -0.11326294
   0.01082783  0.67387545  0.94743300
   0.67223601  0.04435745  0.08744859
   0.80906079  0.21544197  0.22611861
   0.58732684  0.28110362  0.00333745
   0.85741774  0.45286443  0.29231116
   0.00113733  0.52080951  0.13172066
   0.75632244  0.43206586  0.10438197
   0.68822435  0.18765568  0.38066582
   0.46073485  0.15697053  0.47540721
   0.72916910  0.07003535  0.53421326
   0.85973850  0.24669775  0.77356081
   0.64847373  0.33591919  0.54189266
   0.92467162  0.50344277  0.81871042
   1.12693652  0.54734221  0.58957159
   0.79857509  0.45804811  0.65878498
   0.74589584  0.10369792  0.91230663
   0.49738335  0.05786766  0.94089237
   0.53176882  0.54370432  0.02473143
   0.92606246  0.73112480  0.30244242
   0.61534713  0.78563794  0.06314884
   0.88170825  0.99273649  0.35390442
   0.95501096  0.94793791  0.17219053
   0.71172784  0.85901663  0.23696387
   0.80588300  0.58921243  0.44929780
   0.55724886  0.66071494  0.36720951
   0.57726128  0.60276595  0.56261953
   0.81427500  0.76653058  0.80881381
   0.67315677  0.83364886  0.48197370
   0.94652335  0.98197711  0.82935765
   1.00382096  0.82103366  0.67667303
   0.77213373  0.98800817  0.69155803
   0.75833389  0.62255351  0.96342478
   0.52165920  0.72885294  0.88105932
   0.75697197  0.75974422  0.62922015
   0.83689549  1.06694898  0.53649370
   0.97013176  0.29733850  0.13588859
   0.79925679  1.16265429  0.17564469
   0.40068662  0.09572227  0.64660947
   0.38025758  0.29527906  0.50800371
   0.43721572  1.31562054 -0.09328984
  -0.21621445  1.57800386  0.03010360
   0.68675899  0.40780514  0.82722232
   0.61571526  0.56684399  0.71506578
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.755055    0.347101    0.140658
    -0.000000    9.665006    0.281432
    -0.000000    0.000000   13.909004
   Si   O    H 
    32    64    10
Direct configuration=  3657
   0.12143447  0.18205784 -0.00504551
   0.36301080  0.11099050  0.39209437
   0.15886240  0.46916363  0.09024255
   0.38630577  0.36779751  0.24169800
   0.06336423  0.16891752  0.47551400
   0.36775207  0.08707900  0.87335040
   0.18043083  0.38754891  0.59860052
   0.37338898  0.38218742  0.75876396
   0.16384984  0.71834925 -0.02453673
   0.39613790  0.62907497  0.36091614
   0.11580986  0.94637774  0.13757111
   0.35410255  0.88057538  0.26552779
   0.14800131  0.62846038  0.48695723
   0.37406787  0.70585852  0.81469418
   0.08437876  0.89756827  0.58107271
   0.38230099  0.94936795  0.66186649
   0.62796444  0.12437698  0.99047951
   0.83783105  0.15408806  0.33556865
   0.60189215  0.40480632  0.07657107
   0.89605662  0.40982965  0.17773911
   0.63075326  0.19473085  0.49235806
   0.89065919  0.13114749  0.86529770
   0.62419049  0.47219984  0.63414645
   0.82148775  0.40418902  0.76545078
   0.59163983  0.67723979 -0.02313871
   0.91011818  0.58067171  0.35428144
   0.61460719  0.90605659  0.14280593
   0.87215224  0.88006229  0.27222817
   0.65055684  0.66982376  0.46724368
   0.88968611  0.64239313  0.87296171
   0.69144421  0.88920994  0.59765103
   0.88180209  0.89506249  0.74412089
   0.14244879  0.10855119  0.09734882
   0.38982632  0.21030816  0.29461933
   0.16811441  0.33931850  0.01642392
   0.41147694  0.46468826  0.33636899
   0.52124995  0.35624317  0.17153546
   0.25220927  0.41114067  0.17858513
   0.20592078  0.13187291  0.42588406
  -0.04557519  0.22579027  0.38707062
  -0.00274308  0.03476815  0.53573348
   0.36622901  0.27407310  0.86089671
   0.06578909  0.29067206  0.55856187
   0.36333739  0.54008245  0.80231631
   0.50254891  0.34896210  0.68655314
   0.23090172  0.35043272  0.70807708
   0.21131224  0.08707689 -0.07846866
  -0.03360212  0.20021600  0.94958671
   0.23784827  0.59517463  0.04025815
   0.34599764  0.71683630  0.26589415
   0.16958570  0.83843755  0.05934810
   0.38592270  0.94837015  0.36960964
   0.46318301  0.93112548  0.17601963
   0.20686816  0.93502957  0.23300011
   0.31836110  0.64471672  0.46173616
   0.06427043  0.56692750  0.40175107
   0.30222770  0.36910353  0.52008511
   0.36086830  0.76878898  0.70626575
   0.08555652  0.78934914  0.49767700
   0.37170485  1.00353680  0.78231021
   0.53919660  0.89568529  0.62985061
   0.22967711  0.94316758  0.60693909
   0.25180510  0.75866630 -0.11381196
   0.01072124  0.67457915  0.94782228
   0.67333253  0.04439727  0.08733148
   0.81041575  0.21299110  0.22571343
   0.58707885  0.28071118  0.00390060
   0.85976583  0.45257301  0.29260977
   0.00223334  0.51888088  0.13010752
   0.75520862  0.43264611  0.10365720
   0.68609785  0.18926480  0.38230099
   0.46124018  0.15594181  0.47691397
   0.72828604  0.06879954  0.53573958
   0.86026436  0.24643166  0.77270111
   0.64711034  0.33638958  0.54133533
   0.92514076  0.50334659  0.81861130
   1.12697316  0.54763863  0.58977564
   0.79891603  0.45826874  0.65764018
   0.74695297  0.10451704  0.91201732
   0.49923809  0.05704517  0.94157153
   0.53210850  0.54266944  0.02648627
   0.92363810  0.73065789  0.30305013
   0.61396277  0.78505439  0.06274878
   0.88085505  0.99320169  0.35290950
   0.95337785  0.94901033  0.17261984
   0.71300565  0.85988870  0.23675467
   0.80493449  0.58905580  0.44867527
   0.55856630  0.66051266  0.36755256
   0.57696548  0.60611056  0.56252971
   0.81676400  0.76673009  0.80930112
   0.67437571  0.83479861  0.48121603
   0.94787898  0.98319303  0.82950031
   1.00290221  0.82202872  0.67680848
   0.76992178  0.98756892  0.69101052
   0.75827493  0.62145928  0.96109999
   0.52060565  0.72795867  0.88191656
   0.75372091  0.75255793  0.63190354
   0.83865445  1.06784671  0.54505990
   0.96901862  0.29813770  0.13003227
   0.80631383  1.15839166  0.16355450
   0.40056478  0.09773981  0.64123537
   0.38488594  0.29864664  0.51364619
   0.43475469  1.31262896 -0.09627432
  -0.21461729  1.57822021  0.02860773
   0.69462270  0.40772933  0.82740875
   0.61491556  0.56307816  0.71198182
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754258    0.350435    0.142263
    -0.000000    9.666284    0.283222
    -0.000000    0.000000   13.906350
   Si   O    H 
    32    64    10
Direct configuration=  3658
   0.12032414  0.18174550 -0.00392316
   0.36253249  0.11162330  0.39206672
   0.15914741  0.46912906  0.09098315
   0.38546091  0.36713996  0.24104978
   0.06418179  0.16966804  0.47519641
   0.36825590  0.08448711  0.87250039
   0.17873984  0.38746855  0.59869575
   0.37298445  0.38313280  0.75811543
   0.16535831  0.71807978 -0.02467041
   0.39632156  0.62815672  0.36132999
   0.11325674  0.94625257  0.13654225
   0.35420580  0.88095199  0.26510397
   0.14738144  0.62892802  0.48758851
   0.37428422  0.70677467  0.81419545
   0.08405479  0.89831882  0.58110831
   0.38203198  0.94841480  0.66222936
   0.62807814  0.12409288  0.99043347
   0.83724877  0.15314282  0.33458993
   0.60276409  0.40557619  0.07646052
   0.89580215  0.40981457  0.17595646
   0.63135508  0.19455033  0.49210628
   0.89058512  0.13165767  0.86598366
   0.62277572  0.47235382  0.63454548
   0.82288802  0.40396666  0.76499411
   0.59241144  0.67596432 -0.02349804
   0.91169242  0.57982410  0.35446567
   0.61450964  0.90542143  0.14307789
   0.87337920  0.88043849  0.27187542
   0.65103722  0.66927156  0.46626052
   0.89001723  0.64214517  0.87230902
   0.69279069  0.88961723  0.59756380
   0.88185006  0.89445974  0.74359564
   0.14157326  0.10666802  0.09682134
   0.38763850  0.20977844  0.29450345
   0.16744886  0.33826559  0.01762637
   0.41122324  0.46555422  0.33559368
   0.51937147  0.35775912  0.17153651
   0.25200449  0.41280150  0.17856279
   0.20635287  0.13297875  0.42723193
  -0.04695511  0.22828727  0.38768261
  -0.00349152  0.03530043  0.53652139
   0.36483499  0.27357371  0.86108799
   0.06331441  0.28902982  0.55845049
   0.36426860  0.53962659  0.80251705
   0.50185617  0.34737730  0.68674806
   0.23051731  0.35060102  0.70869806
   0.21277389  0.08589214 -0.07924461
  -0.03513832  0.19996667  0.94960736
   0.23801530  0.59545726  0.03937923
   0.34470929  0.71789107  0.26608417
   0.16745574  0.83825465  0.05883338
   0.38558543  0.94821935  0.36790335
   0.46356314  0.93067313  0.17556659
   0.20480639  0.93492792  0.23211351
   0.31915919  0.64447437  0.46245853
   0.06265624  0.56540147  0.40251633
   0.30156029  0.36994390  0.51996674
   0.36030602  0.76804579  0.70600164
   0.08467493  0.78940443  0.49853406
   0.37137037  1.00303598  0.78316899
   0.53971442  0.89607510  0.63107325
   0.23159480  0.94196917  0.60639309
   0.25246858  0.75836458 -0.11479902
   0.01059241  0.67508014  0.94768910
   0.67356517  0.04434233  0.08716419
   0.81148959  0.21067534  0.22503804
   0.58638418  0.28137895  0.00453716
   0.86239847  0.45214313  0.29287098
   0.00368339  0.51630030  0.12880011
   0.75416875  0.43265492  0.10259161
   0.68484649  0.19085718  0.38351630
   0.46263570  0.15503570  0.47804464
   0.72762680  0.06704829  0.53684730
   0.86074694  0.24537410  0.77232504
   0.64612269  0.33720714  0.54066818
   0.92500190  0.50367730  0.81859591
   1.12631575  0.54851136  0.59036845
   0.79965149  0.45837587  0.65590561
   0.74738361  0.10412199  0.91176088
   0.50039056  0.05655787  0.94153459
   0.53230027  0.54077790  0.02788373
   0.92169169  0.72943912  0.30374082
   0.61230736  0.78421149  0.06224255
   0.88114599  0.99279978  0.35185139
   0.95258137  0.94972991  0.17305036
   0.71404603  0.86102394  0.23648327
   0.80369572  0.58973880  0.44837630
   0.56041854  0.65987434  0.36764257
   0.57643403  0.60863725  0.56188047
   0.81905550  0.76744917  0.80995208
   0.67582398  0.83700215  0.48065821
   0.94965709  0.98397526  0.82995544
   1.00189538  0.82324929  0.67635756
   0.76729833  0.98692873  0.69061577
   0.75856032  0.62054948  0.95921372
   0.51931859  0.72750123  0.88249198
   0.75258164  0.74637096  0.63440178
   0.83501606  1.07086238  0.54990902
   0.97095843  0.29699264  0.12530206
   0.81021891  1.15737301  0.15791403
   0.39898654  0.10168083  0.63584353
   0.38258553  0.30487058  0.52112384
   0.43380907  1.30955409 -0.09557739
  -0.21363770  1.57851855  0.02300867
   0.70154027  0.41058553  0.82699132
   0.60903532  0.55936221  0.71674372
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.753721    0.353421    0.143982
    -0.000000    9.668182    0.284978
    -0.000000    0.000000   13.903737
   Si   O    H 
    32    64    10
Direct configuration=  3659
   0.11925336  0.18180364 -0.00318941
   0.36183319  0.11264349  0.39189377
   0.15916361  0.46888387  0.09168101
   0.38509467  0.36627935  0.24047504
   0.06490096  0.17040415  0.47505884
   0.36852185  0.08210276  0.87173025
   0.17683128  0.38750131  0.59911991
   0.37251998  0.38389299  0.75718189
   0.16645669  0.71819522 -0.02413609
   0.39618088  0.62760146  0.36140117
   0.11183894  0.94657605  0.13564034
   0.35408833  0.88169779  0.26478368
   0.14644862  0.62993713  0.48813273
   0.37493510  0.70760249  0.81403797
   0.08406908  0.89853639  0.58136226
   0.38161910  0.94736279  0.66228617
   0.62776477  0.12384243  0.99031185
   0.83615754  0.15201285  0.33393395
   0.60397696  0.40620385  0.07652916
   0.89514166  0.40848558  0.17397100
   0.63167726  0.19478344  0.49206297
   0.89006902  0.13183018  0.86644576
   0.62244068  0.47254165  0.63530304
   0.82391024  0.40403847  0.76501358
   0.59293586  0.67473649 -0.02380331
   0.91298206  0.57884997  0.35475166
   0.61473673  0.90457959  0.14320608
   0.87411278  0.88094020  0.27154708
   0.65155400  0.66944438  0.46559880
   0.89097065  0.64266914  0.87172774
   0.69412228  0.88993171  0.59704958
   0.88236090  0.89469392  0.74320284
   0.14081014  0.10447792  0.09660022
   0.38502523  0.20971809  0.29449313
   0.16676983  0.33788539  0.01883533
   0.41053838  0.46543266  0.33477594
   0.51648325  0.35853012  0.17154856
   0.25221313  0.41393396  0.17877611
   0.20671022  0.13519714  0.42817724
  -0.04732494  0.23034581  0.38885970
  -0.00399429  0.03629452  0.53657881
   0.36393309  0.27298878  0.86138414
   0.06101578  0.28737562  0.55815404
   0.36570965  0.53849285  0.80229530
   0.50138048  0.34499459  0.68745133
   0.23002419  0.35105661  0.70978095
   0.21416091  0.08563619 -0.08011455
  -0.03556855  0.19931729  0.94996341
   0.23855321  0.59525130  0.03836889
   0.34360345  0.71816714  0.26584089
   0.16562275  0.83767402  0.05754698
   0.38642594  0.94814627  0.36645278
   0.46287284  0.93094612  0.17546727
   0.20280875  0.93473756  0.23139583
   0.31899091  0.64395469  0.46304589
   0.06167252  0.56324875  0.40344063
   0.30060924  0.37104343  0.51979470
   0.35976736  0.76768341  0.70588990
   0.08393513  0.78920556  0.49885335
   0.37030912  1.00312306  0.78281980
   0.53987951  0.89739971  0.63160331
   0.23382136  0.94022749  0.60628359
   0.25270132  0.75812539 -0.11598253
   0.00927881  0.67579005  0.94785040
   0.67480100  0.04420824  0.08757782
   0.81236219  0.20771974  0.22375818
   0.58557673  0.28275828  0.00523892
   0.86398086  0.45200488  0.29239216
   0.00503457  0.51393661  0.12729213
   0.75326686  0.43284830  0.10192583
   0.68419265  0.19163446  0.38413445
   0.46385853  0.15398123  0.47891027
   0.72692749  0.06520116  0.53800538
   0.86126684  0.24436028  0.77176910
   0.64620423  0.33858061  0.54023526
   0.92484120  0.50400344  0.81836466
   1.12646516  0.55053225  0.59099446
   0.79922689  0.45893431  0.65468933
   0.74734986  0.10359602  0.91122620
   0.50121698  0.05635371  0.94124635
   0.53262019  0.53899652  0.02938842
   0.92036419  0.72841584  0.30424731
   0.60990589  0.78303304  0.06215887
   0.88196837  0.99262277  0.35098116
   0.95220614  0.94984047  0.17328433
   0.71435331  0.86236228  0.23610353
   0.80261864  0.59093574  0.44719525
   0.56202636  0.65937663  0.36800802
   0.57473949  0.61135661  0.56075045
   0.82164989  0.76698309  0.81069891
   0.67752980  0.83912024  0.48018160
   0.95159272  0.98506033  0.83074136
   0.99987322  0.82515738  0.67575811
   0.76491533  0.98580728  0.69056154
   0.75924968  0.62041571  0.95758848
   0.51723214  0.72717405  0.88218290
   0.75154082  0.74747330  0.63698020
   0.82891727  1.07351396  0.55213408
   0.97414029  0.29319271  0.12236429
   0.81319018  1.15824986  0.16077810
   0.39459931  0.09786772  0.63209595
   0.37587637  0.31231181  0.52835218
   0.43420067  1.30789296 -0.09371199
  -0.21422207  1.58296352  0.01709048
   0.70818887  0.41425430  0.82496393
   0.59802004  0.55724675  0.72548553
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752930    0.357044    0.145432
    -0.000000    9.670032    0.286821
    -0.000000    0.000000   13.900794
   Si   O    H 
    32    64    10
Direct configuration=  3660
   0.11817155  0.18211092 -0.00246951
   0.36196925  0.11408233  0.39144979
   0.15952603  0.46878526  0.09202346
   0.38500036  0.36578827  0.24024753
   0.06506885  0.17118088  0.47502504
   0.36869389  0.08050654  0.87144380
   0.17494603  0.38764667  0.59961460
   0.37254256  0.38495395  0.75669164
   0.16724111  0.71849676 -0.02360439
   0.39700873  0.62704572  0.36157975
   0.11151988  0.94659571  0.13503233
   0.35378900  0.88266496  0.26461689
   0.14514549  0.63121259  0.48858792
   0.37625696  0.70835597  0.81378371
   0.08367959  0.89870271  0.58135256
   0.38147242  0.94588447  0.66203393
   0.62764756  0.12360114  0.98988594
   0.83453177  0.15144323  0.33346333
   0.60491253  0.40616789  0.07679163
   0.89405697  0.40720181  0.17219174
   0.63246374  0.19514000  0.49213309
   0.88884132  0.13240543  0.86678727
   0.62179215  0.47288293  0.63629051
   0.82505340  0.40401528  0.76435557
   0.59280388  0.67328326 -0.02398275
   0.91372956  0.57801969  0.35508449
   0.61470247  0.90366512  0.14424839
   0.87419309  0.88101784  0.27101778
   0.65275197  0.66996245  0.46507022
   0.89195857  0.64379410  0.87115932
   0.69468315  0.88960718  0.59636057
   0.88243484  0.89467540  0.74281777
   0.13979789  0.10200930  0.09642034
   0.38291618  0.20951014  0.29460659
   0.16614688  0.33699637  0.02015091
   0.40965129  0.46532296  0.33329960
   0.51401622  0.35911091  0.17142997
   0.25286919  0.41446639  0.17943177
   0.20792312  0.13676575  0.42955729
  -0.04747445  0.23138305  0.39049257
  -0.00413076  0.03770379  0.53692520
   0.36314392  0.27212251  0.86203361
   0.05972886  0.28635124  0.55780573
   0.36598224  0.53738508  0.80208300
   0.50133008  0.34337126  0.68764641
   0.22915188  0.35226811  0.71039434
   0.21589612  0.08571206 -0.08060231
  -0.03563397  0.19938794  0.95047946
   0.23924672  0.59422697  0.03725216
   0.34174822  0.71819993  0.26560453
   0.16266948  0.83625927  0.05636048
   0.38707980  0.94792598  0.36543075
   0.46203978  0.93187853  0.17520505
   0.20079094  0.93451671  0.23102853
   0.31789711  0.64382616  0.46375974
   0.06092078  0.56121399  0.40428465
   0.29885199  0.37271501  0.51960750
   0.35898307  0.76724071  0.70581850
   0.08285722  0.78902080  0.49959110
   0.36938765  1.00247842  0.78158694
   0.54016202  0.89876392  0.63199932
   0.23684667  0.93914736  0.60597299
   0.25343974  0.75841104 -0.11746487
   0.00752491  0.67710991  0.94769304
   0.67591851  0.04389258  0.08859560
   0.81321712  0.20507182  0.22241054
   0.58453543  0.28399304  0.00597919
   0.86633998  0.45150270  0.29134842
   0.00689242  0.51274272  0.12555369
   0.75309587  0.43313062  0.10217208
   0.68454155  0.19294975  0.38429121
   0.46548983  0.15331225  0.47968823
   0.72616367  0.06401131  0.53909191
   0.86219383  0.24256595  0.77189852
   0.64555879  0.34110135  0.53987388
   0.92594966  0.50379415  0.81824962
   1.12693221  0.55222855  0.59189319
   0.79762231  0.45997228  0.65379073
   0.74675882  0.10243668  0.91040367
   0.50181577  0.05624013  0.94060097
   0.53290021  0.53777221  0.03079322
   0.91945297  0.72753774  0.30433526
   0.60801219  0.78292139  0.06191085
   0.88283328  0.99247472  0.35059564
   0.95201112  0.94911676  0.17319344
   0.71454981  0.86391786  0.23525888
   0.80123941  0.59284823  0.44537053
   0.56352424  0.65968703  0.36817921
   0.57291408  0.61290946  0.55983093
   0.82387249  0.76617172  0.81136688
   0.67977637  0.84081736  0.47999776
   0.95369896  0.98583985  0.83081074
   0.99889736  0.82765085  0.67511153
   0.76241334  0.98378765  0.69001336
   0.76039063  0.61966342  0.95561893
   0.51568527  0.72699050  0.88207611
   0.74788364  0.75357758  0.63881152
   0.81891125  1.07486336  0.55440257
   0.97166701  0.29103294  0.12259921
   0.81600767  1.15708477  0.16452989
   0.39103503  0.08863192  0.63076893
   0.37885699  0.30971626  0.53513138
   0.43426220  1.30383418 -0.09219287
  -0.20643725  1.57867781  0.01684839
   0.70319616  0.41866546  0.82538259
   0.58539870  0.55296665  0.73251160
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752382    0.360811    0.146862
    -0.000000    9.671867    0.288304
    -0.000000    0.000000   13.897734
   Si   O    H 
    32    64    10
Direct configuration=  3661
   0.11766478  0.18207192 -0.00158859
   0.36255707  0.11542995  0.39123754
   0.16044384  0.46876543  0.09247313
   0.38424505  0.36509541  0.24018521
   0.06439044  0.17211922  0.47494525
   0.36898310  0.07906899  0.87134337
   0.17313087  0.38792910  0.60038068
   0.37240573  0.38618500  0.75657546
   0.16852670  0.71870927 -0.02322717
   0.39815151  0.62644972  0.36164129
   0.11165597  0.94659485  0.13433417
   0.35331188  0.88339918  0.26430874
   0.14423409  0.63260504  0.48913129
   0.37748523  0.70820128  0.81329475
   0.08396680  0.89932160  0.58140203
   0.38177427  0.94413463  0.66181490
   0.62778443  0.12326593  0.98967231
   0.83319499  0.15136556  0.33299848
   0.60530103  0.40553302  0.07717769
   0.89349758  0.40617436  0.17079532
   0.63308476  0.19559151  0.49229072
   0.88748904  0.13297921  0.86685239
   0.62091727  0.47305465  0.63738460
   0.82552561  0.40460943  0.76360344
   0.59220966  0.67213382 -0.02400572
   0.91407454  0.57736082  0.35577633
   0.61534983  0.90288686  0.14562567
   0.87482541  0.88092911  0.27039174
   0.65381939  0.67097556  0.46468704
   0.89269146  0.64504380  0.87096556
   0.69464184  0.88876861  0.59590495
   0.88261314  0.89503724  0.74282601
   0.13854547  0.10007052  0.09629101
   0.38024330  0.21023631  0.29530233
   0.16572342  0.33725549  0.02202850
   0.40924609  0.46477590  0.33192827
   0.51233072  0.35928574  0.16998585
   0.25297123  0.41517425  0.17976253
   0.20920782  0.13742297  0.43035255
  -0.04690351  0.23297612  0.39206072
  -0.00365749  0.03934381  0.53683976
   0.36388601  0.27165204  0.86265237
   0.05860881  0.28524561  0.55705204
   0.36657231  0.53580870  0.80204653
   0.50036051  0.34228045  0.68753215
   0.22844103  0.35301616  0.71121111
   0.21777167  0.08581178 -0.08070537
  -0.03524654  0.20036045  0.95132203
   0.23970171  0.59313751  0.03659590
   0.33943354  0.71806901  0.26610501
   0.16004934  0.83544938  0.05527342
   0.38741227  0.94744861  0.36530196
   0.46185358  0.93246696  0.17462414
   0.19905918  0.93429545  0.23084906
   0.31652805  0.64453465  0.46400320
   0.06046986  0.55921588  0.40478184
   0.29724524  0.37333325  0.51933207
   0.35898345  0.76743615  0.70578031
   0.08247494  0.78816468  0.50006279
   0.36861038  1.00149065  0.78027171
   0.53958188  0.89922811  0.63316268
   0.23866754  0.93887226  0.60525831
   0.25441262  0.75907424 -0.11852436
   0.00615307  0.67813793  0.94782764
   0.67714081  0.04381784  0.09001111
   0.81372522  0.20260339  0.22171123
   0.58382335  0.28490092  0.00695314
   0.86831401  0.45034399  0.28970931
   0.00795191  0.51270680  0.12380272
   0.75393804  0.43441040  0.10279385
   0.68532706  0.19339858  0.38393814
   0.46696726  0.15231507  0.48057201
   0.72474332  0.06258750  0.53949633
   0.86344991  0.23997443  0.77224391
   0.64463055  0.34351539  0.53979471
   0.92785360  0.50362174  0.81850017
   1.12738692  0.55342576  0.59261496
   0.79616244  0.46064631  0.65311617
   0.74494580  0.10104882  0.91039018
   0.50160975  0.05567850  0.93995951
   0.53210714  0.53703227  0.03190825
   0.91890723  0.72630772  0.30460717
   0.60579618  0.78278167  0.06199276
   0.88430324  0.99177108  0.35074430
   0.95087599  0.94856110  0.17316208
   0.71398641  0.86576479  0.23412331
   0.80057823  0.59372400  0.44347491
   0.56449902  0.65998988  0.36805116
   0.57156595  0.61339986  0.55984997
   0.82528346  0.76560761  0.81200480
   0.68211657  0.84125501  0.48014962
   0.95522350  0.98640855  0.83052469
   0.99824028  0.83088911  0.67409461
   0.76071234  0.98216398  0.68989608
   0.76141169  0.61863597  0.95334140
   0.51401683  0.72783230  0.88127369
   0.74679237  0.75929190  0.63928432
   0.81748854  1.07946578  0.55848457
   0.96755436  0.29017855  0.12528512
   0.81907446  1.15404902  0.16573191
   0.38822817  0.08282596  0.63137329
   0.37905913  0.30516027  0.54150077
   0.43246995  1.30107028 -0.09302040
  -0.19616914  1.57385272  0.01600806
   0.69679057  0.42290989  0.82494778
   0.57341835  0.54986998  0.73846521
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752228    0.364191    0.147805
    -0.000000    9.673674    0.289769
    -0.000000    0.000000   13.893896
   Si   O    H 
    32    64    10
Direct configuration=  3662
   0.11742035  0.18197133 -0.00127979
   0.36358196  0.11659767  0.39045312
   0.16125314  0.46935074  0.09315071
   0.38364333  0.36426571  0.24030509
   0.06327251  0.17290647  0.47459450
   0.36938413  0.07799066  0.87166161
   0.17158177  0.38811282  0.60112441
   0.37233095  0.38710854  0.75633875
   0.16884950  0.71912609 -0.02270293
   0.39938700  0.62563909  0.36151256
   0.11180351  0.94605832  0.13364547
   0.35256804  0.88401493  0.26366034
   0.14361587  0.63369266  0.48966088
   0.37888837  0.70762633  0.81294803
   0.08405503  0.90041555  0.58150057
   0.38245725  0.94197181  0.66198455
   0.62776692  0.12263530  0.98977984
   0.83205558  0.15096011  0.33295569
   0.60542194  0.40485912  0.07776506
   0.89379703  0.40555288  0.16950881
   0.63324540  0.19596694  0.49282859
   0.88629160  0.13344284  0.86660812
   0.62004967  0.47335740  0.63799174
   0.82625280  0.40542363  0.76277694
   0.59203112  0.67119970 -0.02418765
   0.91373877  0.57677615  0.35693909
   0.61622421  0.90221110  0.14685364
   0.87536143  0.88011089  0.27002437
   0.65502462  0.67202341  0.46413095
   0.89342871  0.64592227  0.87122983
   0.69429632  0.88829724  0.59512407
   0.88256471  0.89544855  0.74320407
   0.13711152  0.09943911  0.09651120
   0.37789088  0.21093649  0.29549808
   0.16472784  0.33699695  0.02338699
   0.40832272  0.46509707  0.32986787
   0.51092166  0.35965267  0.16842571
   0.25345704  0.41621551  0.18009803
   0.21066999  0.13736506  0.43112890
  -0.04608575  0.23374912  0.39385108
  -0.00264188  0.04128465  0.53664205
   0.36452420  0.27141262  0.86268639
   0.05863520  0.28427294  0.55626651
   0.36699719  0.53450652  0.80200179
   0.49896206  0.34192631  0.68745239
   0.22778912  0.35291779  0.71161183
   0.21933245  0.08623968 -0.08119376
  -0.03439355  0.20224846  0.95205046
   0.23953383  0.59130189  0.03588364
   0.33746086  0.71720610  0.26723091
   0.15742471  0.83477424  0.05398453
   0.38708527  0.94819820  0.36564663
   0.46118083  0.93329352  0.17467286
   0.19848855  0.93324541  0.23068627
   0.31445139  0.64491906  0.46427679
   0.06094690  0.55681002  0.40560288
   0.29607408  0.37327172  0.51904976
   0.35890559  0.76776743  0.70551142
   0.08218815  0.78678879  0.49986644
   0.36831738  1.00073966  0.77904067
   0.53875310  0.89983641  0.63380810
   0.23880169  0.93874697  0.60434806
   0.25504864  0.75974253 -0.11926981
   0.00499058  0.67901826  0.94884686
   0.67929900  0.04287512  0.09153971
   0.81484512  0.20025227  0.22183557
   0.58216431  0.28506166  0.00737524
   0.86922003  0.44895832  0.28760211
   0.00839731  0.51318487  0.12216824
   0.75548728  0.43536040  0.10370767
   0.68616865  0.19407354  0.38300826
   0.46921708  0.15129747  0.48154477
   0.72314822  0.06149875  0.53972895
   0.86534578  0.23775219  0.77278814
   0.64307694  0.34506469  0.53999212
   0.93136422  0.50359815  0.81886356
   1.12851380  0.55439424  0.59351257
   0.79427488  0.46083519  0.65282618
   0.74290180  0.09945776  0.91012305
   0.50137192  0.05574478  0.93918367
   0.53150290  0.53777849  0.03242703
   0.91888956  0.72411346  0.30505753
   0.60389027  0.78360431  0.06227240
   0.88516049  0.99050316  0.35099585
   0.94973932  0.94761843  0.17294723
   0.71345543  0.86720473  0.23315625
   0.80082529  0.59374113  0.44172309
   0.56503461  0.66079730  0.36766883
   0.57019186  0.61267638  0.56030049
   0.82546369  0.76507176  0.81213865
   0.68475989  0.84124695  0.48042848
   0.95665583  0.98707722  0.83028118
   0.99775590  0.83371517  0.67349400
   0.75861509  0.98059676  0.69019574
   0.76189447  0.61738400  0.95175915
   0.51237807  0.72880693  0.88050972
   0.74915395  0.76351583  0.63591836
   0.82472590  1.08743761  0.56236859
   0.96211927  0.29068973  0.12684683
   0.82155537  1.14261970  0.16113848
   0.39007847  0.08791932  0.63153605
   0.37444974  0.30392188  0.54295546
   0.43612196  1.29787086 -0.09277987
  -0.18735569  1.57147112  0.01140802
   0.69157961  0.42866437  0.82283277
   0.56549794  0.54404308  0.73871553
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752380    0.367931    0.148977
    -0.000000    9.675409    0.291268
    -0.000000    0.000000   13.890176
   Si   O    H 
    32    64    10
Direct configuration=  3663
   0.11731397  0.18284798 -0.00120311
   0.36453714  0.11886860  0.38915890
   0.16204698  0.47006754  0.09359952
   0.38297437  0.36299927  0.24028382
   0.06211090  0.17380325  0.47419198
   0.36960279  0.07758167  0.87251667
   0.16949240  0.38820511  0.60196180
   0.37256124  0.38811023  0.75631380
   0.16887590  0.71927722 -0.02236967
   0.40010461  0.62455920  0.36153755
   0.11142493  0.94542886  0.13342568
   0.35164814  0.88432179  0.26297688
   0.14323282  0.63422900  0.49013158
   0.37999919  0.70678623  0.81317932
   0.08382954  0.90088605  0.58192350
   0.38252268  0.93994625  0.66240190
   0.62734600  0.12240184  0.98996441
   0.83054447  0.15094060  0.33296759
   0.60500056  0.40514628  0.07895141
   0.89370853  0.40431565  0.16851733
   0.63297551  0.19637530  0.49331752
   0.88511485  0.13369345  0.86647022
   0.61851132  0.47348435  0.63893180
   0.82670330  0.40633449  0.76201702
   0.59183506  0.67086623 -0.02423352
   0.91346337  0.57529191  0.35818732
   0.61728764  0.90121525  0.14773277
   0.87597437  0.87906712  0.26982204
   0.65589742  0.67259947  0.46378490
   0.89390749  0.64625903  0.87172639
   0.69392119  0.88794313  0.59456521
   0.88280258  0.89661220  0.74359575
   0.13674101  0.09904739  0.09710902
   0.37480831  0.21180477  0.29531181
   0.16368022  0.33613930  0.02473670
   0.40669530  0.46535016  0.32794701
   0.50975664  0.35931902  0.16703268
   0.25366467  0.41736662  0.18040652
   0.21195503  0.13717048  0.43226902
  -0.04553481  0.23412088  0.39574225
  -0.00131951  0.04304078  0.53614014
   0.36534778  0.27175886  0.86236159
   0.05899647  0.28377564  0.55579852
   0.36666864  0.53334433  0.80176023
   0.49824601  0.34173870  0.68766197
   0.22651970  0.35313798  0.71122411
   0.22036691  0.08634814 -0.08121443
  -0.03397026  0.20428802  0.95262349
   0.23964391  0.58987491  0.03530343
   0.33554666  0.71606233  0.26807165
   0.15441198  0.83456914  0.05306023
   0.38694176  0.94884425  0.36558105
   0.45989419  0.93396479  0.17523652
   0.19854139  0.93167290  0.23082162
   0.31241405  0.64551267  0.46383006
   0.06152769  0.55548294  0.40681689
   0.29444587  0.37218976  0.51908850
   0.35842047  0.76798794  0.70505666
   0.08189477  0.78473770  0.49928471
   0.36857887  0.99982413  0.77774510
   0.53859919  0.90040594  0.63434100
   0.23810623  0.93824113  0.60369366
   0.25530615  0.76062994 -0.11970751
   0.00467342  0.68038864  0.94962541
   0.68074255  0.04160384  0.09238910
   0.81562802  0.19844813  0.22164712
   0.58074270  0.28469495  0.00721911
   0.86969303  0.44784058  0.28552405
   0.00798966  0.51414451  0.12060373
   0.75791091  0.43696454  0.10490029
   0.68660260  0.19386127  0.38291651
   0.47141303  0.14990741  0.48262965
   0.72338877  0.06041307  0.53970972
   0.86723860  0.23605555  0.77354267
   0.64220348  0.34705335  0.54031177
   0.93374706  0.50317192  0.81920476
   1.12896665  0.55501620  0.59418377
   0.79217254  0.46031867  0.65299764
   0.74120365  0.09862082  0.90969585
   0.50048574  0.05638471  0.93864160
   0.53069692  0.53933468  0.03269898
   0.91945581  0.72298271  0.30526877
   0.60248029  0.78428356  0.06211414
   0.88584327  0.98958611  0.35161511
   0.94903036  0.94622578  0.17203121
   0.71307064  0.86850231  0.23229059
   0.80004034  0.59355977  0.44022525
   0.56493918  0.66129114  0.36721456
   0.56868283  0.61256118  0.56037498
   0.82623274  0.76515818  0.81174006
   0.68675629  0.84091789  0.48012392
   0.95834040  0.98756224  0.82985288
   0.99720529  0.83608977  0.67290103
   0.75689325  0.97900725  0.69114674
   0.76131452  0.61665914  0.95101951
   0.51104485  0.72963935  0.87986569
   0.75432080  0.76162426  0.63548109
   0.82681200  1.09449927  0.56791487
   0.96317034  0.29111156  0.12379825
   0.82201851  1.13516898  0.15958520
   0.38776146  0.09160039  0.63496416
   0.36309359  0.31269817  0.54095203
   0.43958784  1.29547339 -0.08942149
  -0.18584258  1.57413026  0.00515220
   0.69103109  0.42919435  0.82031924
   0.56590128  0.53717671  0.73059753
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752435    0.372010    0.150367
    -0.000000    9.677402    0.292802
    -0.000000    0.000000   13.886717
   Si   O    H 
    32    64    10
Direct configuration=  3664
   0.11750556  0.18319093 -0.00152647
   0.36578410  0.12066220  0.38831717
   0.16343183  0.47033990  0.09387232
   0.38275519  0.36208273  0.24018170
   0.06105752  0.17491573  0.47392166
   0.36955376  0.07739173  0.87374163
   0.16709639  0.38837721  0.60241422
   0.37295985  0.38860632  0.75625360
   0.16794608  0.71886952 -0.02206490
   0.40146455  0.62368895  0.36152489
   0.11110014  0.94482814  0.13336666
   0.35062336  0.88482548  0.26237765
   0.14370651  0.63411611  0.49010528
   0.38134444  0.70570493  0.81299463
   0.08327756  0.90132838  0.58223427
   0.38272064  0.93870755  0.66260069
   0.62730591  0.12239862  0.99023163
   0.82905653  0.15129039  0.33353570
   0.60415665  0.40574868  0.08004981
   0.89266020  0.40347924  0.16819779
   0.63200449  0.19729255  0.49389375
   0.88476853  0.13413170  0.86619789
   0.61687893  0.47331512  0.63972147
   0.82736864  0.40686879  0.76110816
   0.59156334  0.67042376 -0.02383248
   0.91320110  0.57356101  0.35947488
   0.61792829  0.90151310  0.14795941
   0.87592552  0.87783665  0.26950320
   0.65648410  0.67348610  0.46319001
   0.89408558  0.64639885  0.87245081
   0.69388112  0.88743575  0.59417064
   0.88336842  0.89720666  0.74402607
   0.13657060  0.09926722  0.09793817
   0.37220858  0.21317501  0.29457564
   0.16247024  0.33552826  0.02616044
   0.40534672  0.46590117  0.32600920
   0.50853354  0.35985905  0.16590372
   0.25369006  0.41849858  0.18127231
   0.21295422  0.13690484  0.43364381
  -0.04570382  0.23408936  0.39733058
   0.00068463  0.04353518  0.53589680
   0.36547799  0.27177997  0.86184169
   0.05921118  0.28467443  0.55564206
   0.36619047  0.53341062  0.80178961
   0.49730343  0.34121708  0.68770374
   0.22399251  0.35333199  0.71052478
   0.22094726  0.08667875 -0.08093269
  -0.03319879  0.20504682  0.95358624
   0.23994710  0.58796824  0.03512503
   0.33438383  0.71448650  0.26885817
   0.15204218  0.83587257  0.05248050
   0.38668133  0.94940076  0.36538774
   0.45975332  0.93418314  0.17609762
   0.19858704  0.93076076  0.23088454
   0.31106473  0.64581127  0.46303838
   0.06262076  0.55364062  0.40847415
   0.29231601  0.37168343  0.51977296
   0.35815087  0.76827062  0.70454321
   0.08149990  0.78388074  0.49903103
   0.36916131  0.99859438  0.77645559
   0.53858272  0.90206715  0.63504612
   0.23652564  0.93783199  0.60314100
   0.25581472  0.76176468 -0.11985682
   0.00458232  0.68147666  0.95031655
   0.68149825  0.04135237  0.09281572
   0.81681014  0.19701990  0.22102013
   0.57921311  0.28396986  0.00616566
   0.86974786  0.44638657  0.28358795
   0.00770980  0.51487675  0.11941453
   0.76042290  0.43859006  0.10628652
   0.68700789  0.19425255  0.38275480
   0.47361603  0.14920382  0.48311196
   0.72444241  0.06048323  0.53966717
   0.86953126  0.23429616  0.77367825
   0.64134983  0.34758613  0.54031837
   0.93621582  0.50335171  0.81934141
   1.12878096  0.55520705  0.59450464
   0.79045607  0.46073095  0.65277824
   0.73895876  0.09861741  0.90958727
   0.49939649  0.05659385  0.93849987
   0.53037188  0.54113687  0.03252370
   0.91957087  0.72277103  0.30450003
   0.60148851  0.78434569  0.06182197
   0.88618434  0.98871856  0.35245715
   0.94854982  0.94452683  0.17105407
   0.71246047  0.86932690  0.23218126
   0.79932518  0.59307982  0.43933977
   0.56580855  0.66177430  0.36700145
   0.56730957  0.61212109  0.56014634
   0.82716937  0.76573262  0.81093084
   0.68844773  0.83995466  0.47965483
   0.95937117  0.98861344  0.82916611
   0.99628375  0.83802149  0.67213457
   0.75603232  0.97713224  0.69234433
   0.76026571  0.61571835  0.95034365
   0.51036665  0.73040058  0.87946634
   0.76246978  0.75594539  0.63491522
   0.82203414  1.09872103  0.57153960
   0.96795552  0.28446017  0.11955518
   0.82101103  1.13473114  0.16463703
   0.38452804  0.09619469  0.63896000
   0.36202429  0.30895782  0.54107754
   0.44072012  1.29283763 -0.08745226
  -0.18615891  1.57741375  0.00422266
   0.69868821  0.42693154  0.81831163
   0.57161488  0.53724259  0.71831707
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752642    0.375953    0.151978
    -0.000000    9.678949    0.294156
    -0.000000    0.000000   13.883500
   Si   O    H 
    32    64    10
Direct configuration=  3665
   0.11863350  0.18279646 -0.00173249
   0.36747767  0.12197285  0.38792543
   0.16463623  0.47003233  0.09352362
   0.38267674  0.36109303  0.24022315
   0.06037142  0.17544143  0.47348477
   0.36923397  0.07786878  0.87495074
   0.16491437  0.38958540  0.60286851
   0.37299029  0.38802859  0.75659289
   0.16691852  0.71835513 -0.02188346
   0.40252647  0.62277531  0.36149466
   0.11035948  0.94437389  0.13341654
   0.34912804  0.88556098  0.26154229
   0.14423752  0.63336730  0.48991359
   0.38229490  0.70445166  0.81321136
   0.08234428  0.90230318  0.58262516
   0.38289823  0.93737072  0.66278438
   0.62669896  0.12228780  0.99093178
   0.82817467  0.15157226  0.33431429
   0.60324581  0.40581968  0.08120341
   0.89228283  0.40249905  0.16782655
   0.63071500  0.19825583  0.49439097
   0.88444994  0.13375122  0.86593590
   0.61535583  0.47282193  0.63947559
   0.82845640  0.40708801  0.76041470
   0.59129159  0.67046980 -0.02348758
   0.91281563  0.57234360  0.36083698
   0.61739272  0.90144594  0.14788750
   0.87565771  0.87590091  0.26920182
   0.65676529  0.67453191  0.46292935
   0.89434810  0.64646815  0.87278652
   0.69409496  0.88761457  0.59372720
   0.88355055  0.89824954  0.74467859
   0.13636494  0.09921369  0.09867849
   0.37058841  0.21464116  0.29362564
   0.16173237  0.33497909  0.02810893
   0.40349670  0.46693110  0.32457457
   0.50709292  0.36042211  0.16595400
   0.25469436  0.41931079  0.18257130
   0.21405307  0.13686377  0.43517007
  -0.04669633  0.23338269  0.39797339
   0.00208013  0.04350894  0.53582664
   0.36488817  0.27178124  0.86187091
   0.05898738  0.28546704  0.55548782
   0.36692580  0.53391229  0.80172875
   0.49671779  0.34045408  0.68820208
   0.22096808  0.35380455  0.70969452
   0.22130847  0.08683133 -0.08052238
  -0.03216147  0.20522270  0.95445807
   0.24016262  0.58600606  0.03518530
   0.33330222  0.71315248  0.26936162
   0.14928952  0.83732820  0.05191429
   0.38633149  0.95022134  0.36512224
   0.45917542  0.93469384  0.17680706
   0.19848279  0.92973382  0.23061249
   0.30994244  0.64527679  0.46189829
   0.06319518  0.55229944  0.40970171
   0.28956273  0.37065653  0.52085979
   0.35826000  0.76829570  0.70415811
   0.08081962  0.78416407  0.49829193
   0.36989152  0.99742597  0.77613062
   0.53831421  0.90448007  0.63608407
   0.23504003  0.93696284  0.60237788
   0.25544828  0.76294729 -0.12021855
   0.00477630  0.68346308  0.95102300
   0.68197873  0.04174350  0.09300895
   0.81725323  0.19605627  0.22004568
   0.57723085  0.28269418  0.00528338
   0.86969571  0.44518048  0.28108440
   0.00669637  0.51568316  0.11842502
   0.76247980  0.43932239  0.10686058
   0.68703491  0.19423317  0.38255134
   0.47575937  0.14889102  0.48364005
   0.72621144  0.06217004  0.54006652
   0.87080545  0.23377787  0.77365891
   0.64039299  0.34758928  0.54002922
   0.93860314  0.50344302  0.81920317
   1.12877826  0.55518757  0.59495660
   0.78905561  0.46076254  0.65325735
   0.73701235  0.09877826  0.90931301
   0.49833140  0.05683651  0.93858498
   0.52981962  0.54359018  0.03195130
   0.91964676  0.72319192  0.30372163
   0.60076911  0.78458343  0.06121324
   0.88555813  0.98859566  0.35339144
   0.94829292  0.94216432  0.17027076
   0.71264220  0.86943859  0.23222770
   0.79897404  0.59189605  0.43924112
   0.56640129  0.66254078  0.36695254
   0.56660998  0.61154666  0.56010142
   0.82874529  0.76610990  0.80971150
   0.69013324  0.83886509  0.47900579
   0.95977183  0.99035158  0.82858918
   0.99559515  0.84096117  0.67134136
   0.75501854  0.97610187  0.69382760
   0.75897991  0.61486120  0.94993082
   0.51041542  0.73109339  0.87935662
   0.77401507  0.75182620  0.63110339
   0.80818382  1.09620838  0.56919145
   0.96918411  0.28003898  0.11713466
   0.82334886  1.13824102  0.17099973
   0.38461603  0.09598983  0.64133851
   0.36979662  0.30062332  0.54321070
   0.43835305  1.29429640 -0.08928985
  -0.18824359  1.58127840  0.00404333
   0.70963118  0.42515365  0.81971828
   0.57670518  0.54734042  0.71826449
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.752893    0.380043    0.153491
    -0.000000    9.680701    0.295155
    -0.000000    0.000000   13.880291
   Si   O    H 
    32    64    10
Direct configuration=  3666
   0.11981394  0.18255109 -0.00213552
   0.36930991  0.12290007  0.38821632
   0.16535093  0.46965943  0.09369589
   0.38300336  0.36032143  0.24029252
   0.06004104  0.17600812  0.47312175
   0.36879380  0.07867548  0.87602534
   0.16305938  0.39023110  0.60320431
   0.37244785  0.38712224  0.75695747
   0.16592030  0.71706431 -0.02158578
   0.40337738  0.62222609  0.36137297
   0.10963286  0.94336003  0.13406676
   0.34758933  0.88602875  0.26099232
   0.14469861  0.63271914  0.49010082
   0.38302362  0.70301089  0.81319102
   0.08122926  0.90330464  0.58315535
   0.38270516  0.93603782  0.66275915
   0.62622075  0.12170910  0.99170786
   0.82766044  0.15187800  0.33520927
   0.60243833  0.40599744  0.08230598
   0.89238320  0.40118200  0.16756692
   0.62890061  0.19864234  0.49505294
   0.88395089  0.13338203  0.86577766
   0.61428899  0.47243833  0.63881317
   0.82906802  0.40648473  0.75984040
   0.59101694  0.67072774 -0.02345236
   0.91293414  0.57039944  0.36159627
   0.61704026  0.90179059  0.14715790
   0.87490830  0.87428987  0.26926872
   0.65685403  0.67571833  0.46324705
   0.89452101  0.64630872  0.87350891
   0.69388276  0.88773603  0.59363132
   0.88343244  0.89921456  0.74534834
   0.13573287  0.09817637  0.09885464
   0.36976388  0.21654928  0.29303868
   0.16245366  0.33383181  0.02952541
   0.40239108  0.46766029  0.32353165
   0.50639574  0.36032761  0.16660969
   0.25563217  0.41993615  0.18404891
   0.21523606  0.13589601  0.43656354
  -0.04863427  0.23235486  0.39783352
   0.00396615  0.04231432  0.53571662
   0.36488533  0.27195099  0.86144458
   0.05832321  0.28770367  0.55526565
   0.36716417  0.53464373  0.80143066
   0.49664059  0.33983637  0.68913774
   0.21898261  0.35420436  0.70912522
   0.22061050  0.08822056 -0.08030720
  -0.03247531  0.20523903  0.95542369
   0.24021391  0.58420391  0.03450423
   0.33332743  0.71266970  0.26985771
   0.14743873  0.83851381  0.05134460
   0.38572005  0.95173063  0.36453693
   0.45925179  0.93484385  0.17715905
   0.19807810  0.92915016  0.23011153
   0.30851454  0.64496373  0.46001682
   0.06362087  0.55095533  0.41050982
   0.28678309  0.36884167  0.52191793
   0.35843092  0.76845412  0.70392367
   0.07947092  0.78477734  0.49800034
   0.37016642  0.99648941  0.77594876
   0.53910855  0.90692522  0.63718647
   0.23411533  0.93641563  0.60081260
   0.25571323  0.76393778 -0.11987072
   0.00519948  0.68578608  0.95139152
   0.68213174  0.04272215  0.09276545
   0.81767531  0.19720986  0.21959211
   0.57657000  0.28117448  0.00448748
   0.86960013  0.44453862  0.27887624
   0.00611234  0.51576207  0.11745300
   0.76300324  0.44054737  0.10691286
   0.68667234  0.19424848  0.38296316
   0.47699728  0.14812323  0.48397593
   0.72767594  0.06481890  0.53989014
   0.87171943  0.23403280  0.77370843
   0.63920908  0.34774575  0.54004742
   0.94105978  0.50360751  0.81898603
   1.12903200  0.55577736  0.59510819
   0.78718706  0.46021944  0.65365448
   0.73592086  0.09854726  0.90941322
   0.49751330  0.05674099  0.93882442
   0.52883710  0.54553233  0.03106492
   0.92001398  0.72251580  0.30314047
   0.59972225  0.78492409  0.06111340
   0.88435260  0.98762505  0.35400388
   0.94793904  0.93975717  0.17002921
   0.71319219  0.86947198  0.23242569
   0.79822346  0.59067667  0.44051435
   0.56703468  0.66385020  0.36719229
   0.56728770  0.61114250  0.55991267
   0.82927508  0.76672928  0.80929629
   0.69225552  0.83756642  0.47796328
   0.96086714  0.99202735  0.82854800
   0.99507284  0.84366993  0.67097255
   0.75369385  0.97519637  0.69521662
   0.75812471  0.61377728  0.94955065
   0.51012920  0.73151722  0.87988081
   0.77564719  0.75569764  0.62408108
   0.80054509  1.09485286  0.56702370
   0.96497530  0.27961799  0.11755664
   0.82438156  1.12685179  0.16473998
   0.38186730  0.09681319  0.64296336
   0.37427227  0.30251790  0.54200156
   0.43482508  1.29417525 -0.09152498
  -0.18910023  1.58053207  0.00931582
   0.71328220  0.42274834  0.82327085
   0.57913739  0.56165244  0.72431548
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.753535    0.383939    0.155228
    -0.000000    9.682903    0.296350
    -0.000000    0.000000   13.877039
   Si   O    H 
    32    64    10
Direct configuration=  3667
   0.12140664  0.18263988 -0.00243443
   0.37086029  0.12378867  0.38882647
   0.16572374  0.46911225  0.09399297
   0.38306081  0.35929200  0.24067895
   0.05966423  0.17598020  0.47287066
   0.36840296  0.07930273  0.87676288
   0.16158526  0.39129231  0.60299040
   0.37118671  0.38541168  0.75711658
   0.16511545  0.71615727 -0.02181610
   0.40377392  0.62218271  0.36116830
   0.10853567  0.94183965  0.13436972
   0.34693221  0.88609699  0.26097395
   0.14543117  0.63249470  0.48999562
   0.38327042  0.70208729  0.81318142
   0.07970853  0.90363516  0.58358479
   0.38145418  0.93502991  0.66305349
   0.62580298  0.12075215  0.99263759
   0.82725348  0.15214834  0.33584345
   0.60230197  0.40636691  0.08289295
   0.89378541  0.39950597  0.16749461
   0.62743975  0.19983789  0.49573537
   0.88334843  0.13342459  0.86584042
   0.61293256  0.47229833  0.63819116
   0.82976643  0.40631307  0.75991587
   0.59188981  0.67175964 -0.02363936
   0.91286486  0.56824973  0.36215149
   0.61703763  0.90210968  0.14616856
   0.87412911  0.87337527  0.26917257
   0.65715273  0.67652222  0.46352804
   0.89525980  0.64665758  0.87400200
   0.69331254  0.88793602  0.59377435
   0.88264688  0.89980385  0.74578931
   0.13470043  0.09745919  0.09856456
   0.36906656  0.21763079  0.29269954
   0.16419205  0.33228699  0.02981237
   0.40133565  0.46857022  0.32331990
   0.50646883  0.35967487  0.16723109
   0.25687461  0.42023736  0.18475018
   0.21664014  0.13552818  0.43760093
  -0.05125119  0.23133563  0.39753253
   0.00572440  0.04065799  0.53586585
   0.36485416  0.27199028  0.86133374
   0.05739592  0.28999659  0.55497742
   0.36782925  0.53630839  0.80142826
   0.49639429  0.34045003  0.68970609
   0.21750226  0.35497128  0.70873620
   0.21930688  0.09029159 -0.07948894
  -0.03294900  0.20473628  0.95639228
   0.24126907  0.58291208  0.03328304
   0.33350812  0.71228915  0.27067032
   0.14588375  0.83902481  0.05083824
   0.38506430  0.95405565  0.36394574
   0.45880809  0.93439037  0.17782284
   0.19743788  0.92877180  0.22994431
   0.30712568  0.64503154  0.45769672
   0.06381410  0.54942012  0.41147257
   0.28550361  0.36606717  0.52379216
   0.35840229  0.76836263  0.70394068
   0.07818672  0.78652465  0.49771486
   0.37097178  0.99560416  0.77722886
   0.54033781  0.90808421  0.63754809
   0.23390063  0.93561586  0.59956716
   0.25524022  0.76432841 -0.11942624
   0.00582402  0.68774558  0.95229923
   0.68178508  0.04459517  0.09264598
   0.81899740  0.19842290  0.21912786
   0.57560234  0.28020842  0.00348757
   0.86948728  0.44512295  0.27754223
   0.00532395  0.51591683  0.11668762
   0.76308115  0.44133268  0.10635301
   0.68558602  0.19489438  0.38345375
   0.47706147  0.14668829  0.48414112
   0.72875105  0.06661829  0.53934483
   0.87314824  0.23528047  0.77388072
   0.63819086  0.34714928  0.53911935
   0.94341671  0.50389177  0.81851739
   1.12911987  0.55604422  0.59520638
   0.78508162  0.45950736  0.65351647
   0.73559920  0.09813694  0.90980683
   0.49733113  0.05664998  0.93859226
   0.52833558  0.54634000  0.03026326
   0.92033305  0.72216292  0.30249916
   0.59918070  0.78508302  0.06109147
   0.88412041  0.98667558  0.35445532
   0.94847853  0.93616358  0.16997840
   0.71416430  0.86965964  0.23280312
   0.79708829  0.58892611  0.44195877
   0.56712652  0.66436859  0.36681656
   0.56888741  0.61090785  0.55966437
   0.82998201  0.76796743  0.80915156
   0.69442538  0.83638456  0.47717660
   0.96205077  0.99351267  0.82851943
   0.99428425  0.84524721  0.67033694
   0.75224030  0.97457654  0.69685315
   0.75773463  0.61291010  0.94965634
   0.51081438  0.73201519  0.88055321
   0.77500711  0.76155287  0.61866255
   0.81817043  1.10435319  0.57425493
   0.95819688  0.28339481  0.12389564
   0.82368290  1.12043447  0.16267048
   0.38019433  0.09520427  0.64484542
   0.36764834  0.31216677  0.53800700
   0.43516136  1.29728776 -0.09318939
  -0.19743683  1.58047541  0.01295987
   0.71279872  0.42243152  0.82945264
   0.58428510  0.57066027  0.72700942
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.754362    0.388147    0.157295
    -0.000000    9.685390    0.297164
    -0.000000    0.000000   13.874084
   Si   O    H 
    32    64    10
Direct configuration=  3668
   0.12293751  0.18268089 -0.00278644
   0.37233142  0.12406253  0.38999026
   0.16645041  0.46894205  0.09424426
   0.38337130  0.35873726  0.24109552
   0.05932796  0.17553753  0.47277892
   0.36824334  0.08039998  0.87685046
   0.16011358  0.39218563  0.60270453
   0.36941088  0.38439475  0.75739285
   0.16444521  0.71547276 -0.02221390
   0.40455269  0.62154772  0.36059778
   0.10770866  0.94086894  0.13442550
   0.34637675  0.88587208  0.26075770
   0.14655370  0.63241838  0.48962945
   0.38289545  0.70173487  0.81332899
   0.07832543  0.90414479  0.58392693
   0.37986030  0.93435746  0.66344277
   0.62541227  0.11926552  0.99369421
   0.82787262  0.15222341  0.33650215
   0.60210925  0.40676815  0.08317280
   0.89503274  0.39799375  0.16723076
   0.62680488  0.20101319  0.49671868
   0.88335500  0.13285137  0.86567787
   0.61121655  0.47258124  0.63762321
   0.83025752  0.40576250  0.76035096
   0.59265197  0.67306124 -0.02388466
   0.91314454  0.56614880  0.36235110
   0.61662420  0.90272032  0.14507410
   0.87312275  0.87268307  0.26935362
   0.65713208  0.67788513  0.46374385
   0.89562457  0.64712584  0.87449258
   0.69257569  0.88866506  0.59388594
   0.88207466  0.90069251  0.74648462
   0.13399285  0.09719006  0.09816903
   0.36852060  0.21741668  0.29268245
   0.16609957  0.33026709  0.03039510
   0.40145212  0.46925393  0.32330751
   0.50627967  0.35880150  0.16818284
   0.25702239  0.42075656  0.18551376
   0.21723259  0.13579506  0.43898958
  -0.05358256  0.23154291  0.39706836
   0.00732158  0.03931580  0.53612760
   0.36524312  0.27144590  0.86084300
   0.05700557  0.29209261  0.55510675
   0.36756356  0.53731258  0.80155902
   0.49650981  0.34128182  0.69016522
   0.21632496  0.35655178  0.70828875
   0.21744782  0.09261139 -0.07866519
  -0.03433611  0.20374311  0.95703916
   0.24246256  0.58261393  0.03180801
   0.33351467  0.71216391  0.27213947
   0.14404158  0.83952659  0.05009185
   0.38456137  0.95687451  0.36310056
   0.45817757  0.93348036  0.17875730
   0.19624013  0.92985765  0.22958308
   0.30577512  0.64528308  0.45599074
   0.06328223  0.54779411  0.41135666
   0.28452470  0.36363720  0.52543435
   0.35841354  0.76878803  0.70404773
   0.07717905  0.78806807  0.49738295
   0.37204086  0.99571381  0.77882559
   0.54264710  0.90866147  0.63760615
   0.23411752  0.93428307  0.59822826
   0.25519796  0.76498944 -0.11825512
   0.00591015  0.68935363  0.95293704
   0.68112299  0.04607166  0.09295871
   0.81943619  0.19901498  0.21890856
   0.57503154  0.28012199  0.00298114
   0.86910430  0.44544415  0.27683250
   0.00518988  0.51586895  0.11591734
   0.76207778  0.44266710  0.10564643
   0.68500011  0.19560713  0.38431217
   0.47619024  0.14544134  0.48413264
   0.72991457  0.06926445  0.53924292
   0.87425761  0.23683897  0.77400402
   0.63850397  0.34646303  0.53847886
   0.94617164  0.50332425  0.81837318
   1.12894723  0.55630811  0.59525370
   0.78393695  0.45859161  0.65317254
   0.73527106  0.09660332  0.90978491
   0.49613619  0.05621465  0.93847271
   0.52716699  0.54655289  0.02933951
   0.92008704  0.72179114  0.30172261
   0.59897056  0.78493634  0.06114266
   0.88372174  0.98597589  0.35455770
   0.94948907  0.93272484  0.17000220
   0.71520185  0.86962936  0.23321466
   0.79620071  0.58711619  0.44355809
   0.56592438  0.66546283  0.36625442
   0.57021268  0.60939661  0.55942647
   0.83027215  0.76899187  0.80892888
   0.69694308  0.83527905  0.47649037
   0.96251521  0.99469509  0.82847819
   0.99342210  0.84634335  0.67051822
   0.75155825  0.97429930  0.69866385
   0.75773588  0.61294466  0.94987713
   0.51243539  0.73182056  0.88155772
   0.77253172  0.76077956  0.61400286
   0.82855484  1.10817459  0.57696090
   0.95783746  0.28442623  0.12886258
   0.82210874  1.12669922  0.16755562
   0.38034813  0.09082885  0.64514891
   0.36492341  0.31526647  0.53527914
   0.43764502  1.30468155 -0.09206936
  -0.21010667  1.58376939  0.01280151
   0.71321306  0.42393418  0.83250510
   0.58728455  0.57394578  0.72384940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.755442    0.391572    0.159330
    -0.000000    9.687846    0.298090
    -0.000000    0.000000   13.870973
   Si   O    H 
    32    64    10
Direct configuration=  3669
   0.12438921  0.18234207 -0.00286785
   0.37359089  0.12437957  0.39115585
   0.16688104  0.46775535  0.09437108
   0.38382832  0.35802203  0.24137429
   0.05854395  0.17473294  0.47300262
   0.36815928  0.08179867  0.87620528
   0.15923098  0.39262707  0.60260702
   0.36813923  0.38357886  0.75763904
   0.16393609  0.71466030 -0.02280352
   0.40543822  0.62134401  0.35968202
   0.10671737  0.94044528  0.13412040
   0.34608436  0.88486065  0.26081035
   0.14736956  0.63184243  0.48959694
   0.38228184  0.70240976  0.81295352
   0.07703257  0.90425072  0.58369463
   0.37894295  0.93349128  0.66380096
   0.62494777  0.11760266  0.99476314
   0.82951595  0.15267070  0.33734194
   0.60109864  0.40727521  0.08336423
   0.89637555  0.39669007  0.16684030
   0.62616836  0.20228960  0.49732954
   0.88308480  0.13289775  0.86578348
   0.60969270  0.47373824  0.63693633
   0.83099407  0.40518122  0.76086160
   0.59324169  0.67439240 -0.02413611
   0.91320547  0.56401361  0.36182887
   0.61609172  0.90308050  0.14400186
   0.87214191  0.87209136  0.26958089
   0.65707820  0.67945584  0.46404383
   0.89630317  0.64835918  0.87511580
   0.69227694  0.88883478  0.59422690
   0.88168940  0.90182948  0.74713039
   0.13283209  0.09692518  0.09725185
   0.36835427  0.21566931  0.29262582
   0.16808223  0.32868273  0.03062742
   0.40109587  0.46984159  0.32348041
   0.50596034  0.35743130  0.16919617
   0.25667860  0.42150325  0.18580013
   0.21762009  0.13551017  0.44032655
  -0.05568583  0.23179390  0.39625436
   0.00850892  0.03847588  0.53608722
   0.36529347  0.27085370  0.86007435
   0.05638831  0.29502946  0.55564215
   0.36693156  0.53798286  0.80154606
   0.49724059  0.34227960  0.69042825
   0.21579603  0.35741566  0.70901957
   0.21538985  0.09436619 -0.07784076
  -0.03625669  0.20278559  0.95706157
   0.24383434  0.58242444  0.02999430
   0.33411645  0.71270517  0.27254407
   0.14269899  0.84040438  0.04897747
   0.38368599  0.95967233  0.36264402
   0.45797457  0.93238984  0.17963534
   0.19542509  0.93017440  0.22958034
   0.30441851  0.64575447  0.45487914
   0.06242432  0.54538135  0.41144932
   0.28272400  0.36225921  0.52619325
   0.35958918  0.76829936  0.70384758
   0.07673653  0.78864929  0.49747480
   0.37357510  0.99689384  0.78104407
   0.54470518  0.90907887  0.63767442
   0.23402516  0.93405201  0.59734127
   0.25499541  0.76529189 -0.11723119
   0.00609614  0.69041193  0.95304533
   0.68009578  0.04728408  0.09330156
   0.82031370  0.19864852  0.21811286
   0.57461270  0.28032341  0.00288723
   0.86842768  0.44538661  0.27707998
   0.00533545  0.51558351  0.11499639
   0.76067262  0.44397771  0.10512596
   0.68415905  0.19634681  0.38565609
   0.47543833  0.14481182  0.48363399
   0.73047323  0.07202277  0.53968947
   0.87574354  0.23861958  0.77403816
   0.63797380  0.34573240  0.53803942
   0.94832596  0.50241728  0.81876804
   1.12833646  0.55634384  0.59538790
   0.78375236  0.45761732  0.65285441
   0.73454654  0.09590406  0.90935254
   0.49528993  0.05599568  0.93850007
   0.52605039  0.54597166  0.02891826
   0.91953050  0.72024674  0.30100514
   0.59852664  0.78531013  0.06114326
   0.88328232  0.98582718  0.35481158
   0.95075366  0.92900563  0.17028662
   0.71571057  0.86926085  0.23286784
   0.79572229  0.58481112  0.44544088
   0.56540974  0.66642167  0.36587774
   0.57171570  0.60856263  0.55870252
   0.83032969  0.76932986  0.80919823
   0.69838868  0.83492645  0.47598879
   0.96255284  0.99578840  0.82851766
   0.99237874  0.84716298  0.67056060
   0.75196315  0.97408997  0.70013451
   0.75703976  0.61395997  0.94991100
   0.51442604  0.73131177  0.88252182
   0.77262633  0.76137040  0.61294640
   0.82989174  1.11030413  0.57705383
   0.96711402  0.28130550  0.12885346
   0.81991410  1.13871351  0.17491294
   0.38076576  0.08579282  0.64325327
   0.37337190  0.30836328  0.53669587
   0.43879598  1.30618878 -0.09397673
  -0.21559830  1.58313122  0.01791207
   0.71415674  0.42922849  0.83353935
   0.58987445  0.57084218  0.71720396
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.756652    0.394299    0.161122
    -0.000000    9.689823    0.299243
    -0.000000    0.000000   13.868215
   Si   O    H 
    32    64    10
Direct configuration=  3670
   0.12574320  0.18218592 -0.00279963
   0.37457019  0.12518038  0.39229826
   0.16732231  0.46629932  0.09435355
   0.38373290  0.35805021  0.24179890
   0.05804030  0.17412077  0.47354215
   0.36806672  0.08359441  0.87507547
   0.15848170  0.39348538  0.60240232
   0.36693105  0.38253904  0.75767440
   0.16379749  0.71362176 -0.02327774
   0.40637689  0.62155171  0.35902497
   0.10617726  0.94010411  0.13422277
   0.34599774  0.88394425  0.26103060
   0.14774210  0.63161570  0.48954916
   0.38173986  0.70351492  0.81242121
   0.07624889  0.90467530  0.58328921
   0.37796864  0.93261018  0.66434555
   0.62451025  0.11588597  0.99540570
   0.83128334  0.15293694  0.33825003
   0.60029100  0.40743546  0.08312459
   0.89767369  0.39547110  0.16638557
   0.62563249  0.20349561  0.49786640
   0.88267227  0.13355218  0.86555688
   0.60837573  0.47383011  0.63606915
   0.83172055  0.40541299  0.76145628
   0.59319117  0.67636697 -0.02436503
   0.91231184  0.56269086  0.36122551
   0.61572450  0.90305030  0.14312210
   0.87164659  0.87160569  0.26920276
   0.65737403  0.68070135  0.46464376
   0.89682725  0.64938800  0.87586794
   0.69200723  0.88876305  0.59431410
   0.88086263  0.90258332  0.74836853
   0.13144042  0.09672036  0.09650069
   0.36792096  0.21380360  0.29366555
   0.16980611  0.32721649  0.03044864
   0.40165998  0.46984111  0.32379393
   0.50694413  0.35614914  0.17018662
   0.25567726  0.42178319  0.18612507
   0.21738661  0.13552702  0.44128605
  -0.05749721  0.23116117  0.39519286
   0.00881137  0.03880467  0.53573875
   0.36589202  0.27062503  0.85926739
   0.05503043  0.29751406  0.55681505
   0.36607470  0.53872721  0.80192643
   0.49764570  0.34393211  0.69068378
   0.21572479  0.35879563  0.70999482
   0.21317017  0.09539241 -0.07721492
  -0.03834286  0.20113386  0.95658344
   0.24520134  0.58216019  0.02809814
   0.33535359  0.71341077  0.27271003
   0.14120354  0.84190419  0.04824790
   0.38333196  0.96201866  0.36235877
   0.45826259  0.93188063  0.18069443
   0.19486183  0.93045643  0.22955618
   0.30349208  0.64644819  0.45394482
   0.06130732  0.54395200  0.41122090
   0.28232573  0.36088722  0.52735424
   0.36029633  0.76667378  0.70382069
   0.07629619  0.78908428  0.49786977
   0.37429663  0.99781102  0.78273280
   0.54550337  0.91000272  0.63739377
   0.23553359  0.93350064  0.59587803
   0.25484482  0.76536703 -0.11648068
   0.00574216  0.69106725  0.95298942
   0.67903356  0.04750389  0.09350398
   0.82206485  0.19919287  0.21929249
   0.57398090  0.28014764  0.00309691
   0.86776562  0.44550831  0.27765793
   0.00607684  0.51466854  0.11420346
   0.75832539  0.44533143  0.10455347
   0.68239325  0.19735364  0.38639378
   0.47491933  0.14466453  0.48356058
   0.73158787  0.07498746  0.54044424
   0.87717211  0.24153022  0.77378323
   0.63747624  0.34460091  0.53827181
   0.94994377  0.50209727  0.81889160
   1.12750712  0.55665362  0.59586102
   0.78365933  0.45741150  0.65302732
   0.73331483  0.09529817  0.90928716
   0.49574759  0.05598878  0.93909574
   0.52513686  0.54443965  0.02828972
   0.91841928  0.71825194  0.30052418
   0.59878332  0.78598224  0.06055972
   0.88257521  0.98561720  0.35466366
   0.95165193  0.92555014  0.17091217
   0.71523915  0.86863376  0.23297494
   0.79577736  0.58215791  0.44728514
   0.56449051  0.66695514  0.36600792
   0.57335664  0.60786181  0.55799567
   0.83024758  0.76986155  0.80954950
   0.69865760  0.83514208  0.47520077
   0.96265384  0.99638207  0.82828994
   0.99091393  0.84728974  0.67081959
   0.75205568  0.97386771  0.70183286
   0.75673695  0.61436486  0.94945857
   0.51642812  0.73055401  0.88303524
   0.77602958  0.75978906  0.61618148
   0.82129757  1.10625584  0.57299793
   0.97701041  0.27457365  0.12568173
   0.81733610  1.12376558  0.16417399
   0.37970222  0.07970394  0.64027433
   0.37715674  0.30316076  0.53850984
   0.43965639  1.30534785 -0.09521235
  -0.21976431  1.58285997  0.01868305
   0.72013153  0.43481489  0.83148805
   0.59052709  0.56334891  0.71166652
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.758117    0.396772    0.163552
    -0.000000    9.692028    0.299942
    -0.000000    0.000000   13.865512
   Si   O    H 
    32    64    10
Direct configuration=  3671
   0.12670204  0.18191008 -0.00277910
   0.37545362  0.12535200  0.39368544
   0.16706056  0.46528671  0.09439442
   0.38340888  0.35784038  0.24218834
   0.05816359  0.17327732  0.47407470
   0.36714637  0.08537434  0.87418193
   0.15877375  0.39491303  0.60216144
   0.36544649  0.38153485  0.75783794
   0.16435158  0.71225546 -0.02339291
   0.40654999  0.62239104  0.35889477
   0.10578787  0.94003247  0.13432292
   0.34560806  0.88229320  0.26120429
   0.14876349  0.63141867  0.48933817
   0.38094080  0.70451255  0.81193002
   0.07595943  0.90467620  0.58281781
   0.37644689  0.93200692  0.66494899
   0.62390463  0.11519631  0.99560936
   0.83228586  0.15256127  0.33907192
   0.59978399  0.40727230  0.08258677
   0.89888807  0.39456512  0.16593326
   0.62529636  0.20496872  0.49783688
   0.88276891  0.13425175  0.86575122
   0.60798538  0.47381120  0.63476893
   0.83151347  0.40585032  0.76184220
   0.59338442  0.67845707 -0.02452716
   0.91116822  0.56142033  0.36089454
   0.61549733  0.90234200  0.14257031
   0.87135547  0.87071472  0.26853662
   0.65786242  0.68150089  0.46537004
   0.89753092  0.64982611  0.87676653
   0.69158481  0.88934982  0.59458475
   0.88068111  0.90352920  0.74929766
   0.12981534  0.09608147  0.09629489
   0.36723570  0.21205527  0.29483215
   0.17200517  0.32569232  0.02951038
   0.40189267  0.46987665  0.32442655
   0.50848621  0.35466055  0.17099444
   0.25333479  0.42249285  0.18621095
   0.21667788  0.13523660  0.44225546
  -0.05814433  0.23077291  0.39425977
   0.00957480  0.03955008  0.53572867
   0.36611144  0.27094850  0.85848480
   0.05271322  0.29904728  0.55770230
   0.36484005  0.54014695  0.80237858
   0.49878411  0.34572419  0.69086751
   0.21591967  0.36039273  0.71092274
   0.21210988  0.09558768 -0.07696590
  -0.04002764  0.19980595  0.95588880
   0.24577242  0.58164529  0.02585286
   0.33680700  0.71421464  0.27255737
   0.13998499  0.84257352  0.04798088
   0.38325350  0.96419156  0.36274773
   0.45891491  0.93185082  0.18116671
   0.19410311  0.93092775  0.22893246
   0.30329456  0.64681878  0.45324366
   0.05992556  0.54159108  0.41115874
   0.28353373  0.35804304  0.52898608
   0.36061162  0.76571262  0.70362731
   0.07582807  0.78916169  0.49862998
   0.37468483  0.99837998  0.78401230
   0.54509881  0.91023942  0.63604065
   0.23712923  0.93247585  0.59393717
   0.25480295  0.76532023 -0.11567420
   0.00577933  0.69167375  0.95257008
   0.67784581  0.04814826  0.09372077
   0.82351595  0.19905871  0.21996496
   0.57373862  0.28015440  0.00347434
   0.86710344  0.44581641  0.27838389
   0.00748724  0.51362291  0.11389457
   0.75608272  0.44675755  0.10388923
   0.68102168  0.19773235  0.38633974
   0.47463118  0.14480298  0.48394800
   0.73284866  0.07728324  0.54161141
   0.87867225  0.24388528  0.77344228
   0.63656924  0.34449165  0.53853279
   0.95126977  0.50160165  0.81912370
   1.12609152  0.55683717  0.59613608
   0.78362268  0.45762461  0.65431797
   0.73345345  0.09396087  0.90968334
   0.49665459  0.05493310  0.94075712
   0.52392813  0.54264662  0.02786651
   0.91660887  0.71588567  0.29983862
   0.59977633  0.78602832  0.05958545
   0.88162731  0.98553915  0.35433527
   0.95289361  0.92204044  0.17112505
   0.71364942  0.86862486  0.23264280
   0.79635705  0.57949879  0.44910677
   0.56350315  0.66870878  0.36639185
   0.57486413  0.60683478  0.55728912
   0.83036737  0.76896082  0.80981674
   0.69804864  0.83585041  0.47456567
   0.96233613  0.99648265  0.82755586
   0.98986503  0.84699937  0.67097588
   0.75273558  0.97402773  0.70244540
   0.75619379  0.61587688  0.94913214
   0.51878407  0.73055452  0.88301005
   0.78033469  0.76103273  0.62236405
   0.80464377  1.10225512  0.56790350
   0.98405325  0.27215040  0.12277035
   0.81885804  1.11458372  0.16041973
   0.38101890  0.07831003  0.63475257
   0.36735267  0.30358203  0.54029372
   0.43909188  1.30336465 -0.09705031
  -0.21938833  1.57882119  0.01770223
   0.72292223  0.43674721  0.82966540
   0.58940276  0.55711725  0.71009866
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.759404    0.399232    0.165602
    -0.000000    9.694232    0.299567
    -0.000000    0.000000   13.862795
   Si   O    H 
    32    64    10
Direct configuration=  3672
   0.12766476  0.18106059 -0.00242262
   0.37572937  0.12470856  0.39590277
   0.16683556  0.46419883  0.09451028
   0.38368738  0.35696444  0.24285903
   0.05851209  0.17259302  0.47508681
   0.36582283  0.08666597  0.87358283
   0.15942214  0.39593461  0.60198666
   0.36411705  0.38110013  0.75760903
   0.16424544  0.71116086 -0.02374419
   0.40625468  0.62310174  0.35856912
   0.10566345  0.94060836  0.13465486
   0.34536526  0.88131005  0.26136538
   0.14971250  0.63119875  0.48907059
   0.38012654  0.70588248  0.81131067
   0.07686035  0.90396810  0.58202297
   0.37527675  0.93083704  0.66553700
   0.62373773  0.11482753  0.99588254
   0.83230060  0.15187718  0.33963929
   0.59922698  0.40734454  0.08219092
   0.90062960  0.39377433  0.16567650
   0.62511343  0.20602053  0.49782799
   0.88233836  0.13462741  0.86579536
   0.60756149  0.47360079  0.63343761
   0.83098796  0.40621249  0.76215067
   0.59328438  0.68008234 -0.02436652
   0.91008818  0.56047564  0.36062539
   0.61504587  0.90126505  0.14220163
   0.87124670  0.86968233  0.26794725
   0.65851730  0.68114183  0.46564918
   0.89872186  0.64961772  0.87747291
   0.69173704  0.88970806  0.59495118
   0.88029364  0.90491800  0.75048556
   0.12880035  0.09573108  0.09601709
   0.36687565  0.20983301  0.29567054
   0.17430390  0.32507848  0.02825830
   0.40301572  0.46926858  0.32536526
   0.50944854  0.35267125  0.17159970
   0.25152776  0.42233841  0.18634124
   0.21639949  0.13594859  0.44265541
  -0.05796220  0.23025708  0.39350929
   0.01082995  0.04119808  0.53568102
   0.36655061  0.27082123  0.85827839
   0.04997380  0.29992547  0.55835873
   0.36341825  0.54055801  0.80299511
   0.49963946  0.34761657  0.69125664
   0.21682666  0.36273971  0.71166128
   0.21123099  0.09600228 -0.07682622
  -0.04019691  0.19828377  0.95573555
   0.24576296  0.58082999  0.02399002
   0.33809312  0.71507631  0.27215369
   0.13877229  0.84314616  0.04786468
   0.38332511  0.96580379  0.36272311
   0.45927173  0.93211691  0.18120155
   0.19379561  0.93192389  0.22905241
   0.30248214  0.64706169  0.45303687
   0.05849821  0.53880640  0.41140894
   0.28523165  0.35555028  0.53091472
   0.36237879  0.76465452  0.70400851
   0.07467919  0.78919092  0.49977092
   0.37487506  0.99945777  0.78539180
   0.54531893  0.91016891  0.63415495
   0.23804532  0.93158994  0.59202911
   0.25471106  0.76615969 -0.11448762
   0.00594958  0.69216430  0.95237931
   0.67748256  0.04743923  0.09432021
   0.82458686  0.19828829  0.22027934
   0.57475440  0.27999540  0.00349140
   0.86607149  0.44617358  0.27845115
   0.00816325  0.51247639  0.11380552
   0.75362507  0.44772881  0.10338112
   0.68038908  0.19878169  0.38549681
   0.47478749  0.14508378  0.48396173
   0.73090206  0.07833315  0.54195684
   0.87930621  0.24622322  0.77308970
   0.63533672  0.34570418  0.53906341
   0.95240289  0.50176144  0.81929446
   1.12554288  0.55752707  0.59645960
   0.78312762  0.45731477  0.65546244
   0.73420538  0.09236332  0.90989222
   0.49839388  0.05400503  0.94227881
   0.52315357  0.54135132  0.02718614
   0.91566760  0.71367528  0.29872583
   0.60015930  0.78646653  0.05861417
   0.88197699  0.98472235  0.35366454
   0.95332299  0.91846573  0.17124562
   0.71169965  0.86808103  0.23233462
   0.79650527  0.57729707  0.45045995
   0.56220119  0.67040817  0.36678421
   0.57630659  0.60617113  0.55599804
   0.83011069  0.76813536  0.81012105
   0.69737075  0.83699078  0.47413030
   0.96240459  0.99515758  0.82643142
   0.98879526  0.84621191  0.67125604
   0.75360102  0.97462682  0.70286195
   0.75587972  0.61703313  0.94923220
   0.52041619  0.73145476  0.88252394
   0.78251741  0.76129928  0.62753860
   0.82365917  1.10587360  0.57614814
   0.98824665  0.27468975  0.12157685
   0.82296013  1.12510037  0.16421623
   0.38122127  0.08243403  0.62829063
   0.35513530  0.30046208  0.54351864
   0.43830299  1.30125259 -0.09923405
  -0.21377860  1.57085810  0.01504939
   0.72401931  0.44026308  0.82792696
   0.58630184  0.55703304  0.71963915
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.760642    0.401322    0.167649
    -0.000000    9.696487    0.298931
    -0.000000    0.000000   13.860656
   Si   O    H 
    32    64    10
Direct configuration=  3673
   0.12721348  0.18043948 -0.00180091
   0.37565302  0.12443820  0.39781549
   0.16672991  0.46293671  0.09488176
   0.38382194  0.35648562  0.24391300
   0.05930412  0.17296495  0.47568261
   0.36484621  0.08736510  0.87311398
   0.16068593  0.39666600  0.60259337
   0.36301463  0.38035361  0.75709702
   0.16404010  0.71025017 -0.02436780
   0.40569414  0.62366851  0.35854131
   0.10567902  0.94093529  0.13472647
   0.34571671  0.88124184  0.26127091
   0.14988457  0.63135717  0.48942912
   0.37878268  0.70737973  0.81126017
   0.07822088  0.90329699  0.58116670
   0.37442507  0.92959040  0.66611018
   0.62353654  0.11501272  0.99596748
   0.83208006  0.15076300  0.34004199
   0.59882063  0.40645992  0.08217362
   0.90245038  0.39328442  0.16539880
   0.62564979  0.20663854  0.49776619
   0.88252102  0.13502246  0.86621352
   0.60789911  0.47326499  0.63245935
   0.83084052  0.40648796  0.76248207
   0.59316577  0.68109909 -0.02478103
   0.90850306  0.55960927  0.36051633
   0.61496688  0.90062919  0.14241607
   0.87094113  0.86850368  0.26783883
   0.65939901  0.68054908  0.46604669
   0.89965452  0.64993393  0.87762145
   0.69245971  0.89054231  0.59539626
   0.87985227  0.90527571  0.75147450
   0.12746070  0.09549539  0.09568865
   0.36586897  0.20754490  0.29649124
   0.17683085  0.32513498  0.02684450
   0.40373342  0.46799826  0.32649342
   0.51025939  0.35101119  0.17227660
   0.25009761  0.42222074  0.18622987
   0.21657739  0.13722365  0.44294491
  -0.05646240  0.23001038  0.39288760
   0.01154253  0.04341412  0.53525650
   0.36682518  0.27032965  0.85796501
   0.04606687  0.29990231  0.55908162
   0.36190083  0.53919074  0.80328609
   0.49975402  0.34873778  0.69213685
   0.21768463  0.36531092  0.71198322
   0.21078252  0.09577602 -0.07691508
  -0.03938986  0.19671937  0.95612421
   0.24578297  0.57949880  0.02171258
   0.33942775  0.71637703  0.27147200
   0.13788722  0.84355134  0.04755101
   0.38391415  0.96729147  0.36243885
   0.45941274  0.93196807  0.18096356
   0.19406972  0.93371693  0.22942987
   0.30254663  0.64677828  0.45243688
   0.05742472  0.53605157  0.41186005
   0.28562053  0.35445996  0.53220117
   0.36375629  0.76387434  0.70372638
   0.07350658  0.78920324  0.50039102
   0.37475757  1.00032718  0.78553111
   0.54463420  0.90946110  0.63299474
   0.23866667  0.93065378  0.59047814
   0.25431736  0.76727929 -0.11305369
   0.00625933  0.69251126  0.95243449
   0.67684781  0.04645571  0.09511536
   0.82532225  0.19667553  0.22039495
   0.57572560  0.27982896  0.00404367
   0.86523319  0.44686663  0.27847171
   0.00907352  0.51203636  0.11413025
   0.75150532  0.44813527  0.10234576
   0.67951673  0.20006991  0.38469816
   0.47480315  0.14548630  0.48441249
   0.72955279  0.07920588  0.54283584
   0.87995565  0.24824839  0.77207552
   0.63352683  0.34776001  0.53953409
   0.95182871  0.50196822  0.81969924
   1.12502323  0.55841945  0.59657728
   0.78321767  0.45653545  0.65650458
   0.73549308  0.09158263  0.91008517
   0.49906676  0.05274541  0.94391251
   0.52338938  0.53972236  0.02626258
   0.91538999  0.71177822  0.29771900
   0.60118345  0.78728532  0.05818273
   0.88142054  0.98317196  0.35228652
   0.95376295  0.91473007  0.17145392
   0.71028617  0.86747370  0.23239268
   0.79715129  0.57508562  0.45094402
   0.56022361  0.67210005  0.36763481
   0.57799017  0.60450314  0.55520766
   0.82938147  0.76804871  0.81090779
   0.69643046  0.83827923  0.47353654
   0.96287587  0.99441754  0.82570472
   0.98862976  0.84568975  0.67235122
   0.75408926  0.97476945  0.70342002
   0.75539230  0.61800753  0.94924248
   0.52111221  0.73234668  0.88161911
   0.77994216  0.76751875  0.63099253
   0.83335602  1.10362542  0.58104491
   0.99086783  0.27999029  0.12320196
   0.83067104  1.14299042  0.17465553
   0.37734873  0.08347214  0.62142338
   0.36567415  0.27716171  0.54704896
   0.44184123  1.30106932 -0.09719875
  -0.21209986  1.56479507  0.01100565
   0.71627672  0.44364072  0.83145020
   0.58217221  0.55805301  0.72785046
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.761316    0.403108    0.169523
    -0.000000    9.699228    0.298028
    -0.000000    0.000000   13.858279
   Si   O    H 
    32    64    10
Direct configuration=  3674
   0.12633598  0.17929254 -0.00142660
   0.37469909  0.12399447  0.39932976
   0.16669208  0.46174275  0.09513099
   0.38368931  0.35549570  0.24498560
   0.06013640  0.17425588  0.47631498
   0.36439693  0.08816445  0.87260489
   0.16238249  0.39716980  0.60302179
   0.36246470  0.38056277  0.75660456
   0.16406785  0.71076014 -0.02466283
   0.40460092  0.62414362  0.35877220
   0.10513101  0.94103497  0.13464963
   0.34598307  0.88205186  0.26105876
   0.14953611  0.63122859  0.48992854
   0.37780764  0.70795996  0.81149965
   0.07977715  0.90200456  0.58097014
   0.37370066  0.92922855  0.66650110
   0.62311766  0.11549466  0.99631602
   0.83161391  0.14900802  0.34044105
   0.59836899  0.40549621  0.08209475
   0.90410516  0.39284227  0.16545976
   0.62608668  0.20636231  0.49726850
   0.88285253  0.13526116  0.86689189
   0.60790202  0.47320281  0.63151722
   0.83005505  0.40786705  0.76257716
   0.59264778  0.68150056 -0.02530079
   0.90623825  0.55901329  0.36013502
   0.61410867  0.90055205  0.14251498
   0.87071378  0.86749936  0.26759652
   0.65997297  0.67979778  0.46635425
   0.90016507  0.64960237  0.87725078
   0.69370409  0.89111142  0.59593038
   0.88008930  0.90483731  0.75185514
   0.12551456  0.09465685  0.09562457
   0.36408501  0.20563933  0.29704756
   0.17957590  0.32574502  0.02546782
   0.40475689  0.46711655  0.32734944
   0.51139118  0.34867226  0.17300788
   0.24912093  0.42216878  0.18651897
   0.21632462  0.13855711  0.44348941
  -0.05465908  0.22996940  0.39295627
   0.01209555  0.04565681  0.53494307
   0.36797184  0.26952043  0.85849877
   0.04227865  0.30045784  0.55967536
   0.36001970  0.53725020  0.80361808
   0.50083281  0.34906560  0.69303530
   0.21866196  0.36816408  0.71250551
   0.21211033  0.09538652 -0.07748381
  -0.03874154  0.19523773  0.95694067
   0.24620452  0.57844754  0.01982116
   0.34080410  0.71801588  0.27047348
   0.13672881  0.84427908  0.04699092
   0.38451235  0.96803710  0.36226471
   0.45888064  0.93182022  0.18080800
   0.19507632  0.93449583  0.22979017
   0.30325776  0.64592252  0.45264650
   0.05687275  0.53240492  0.41238482
   0.28639653  0.35277426  0.53291171
   0.36526273  0.76401120  0.70358203
   0.07250236  0.78861120  0.50017331
   0.37376381  1.00040575  0.78519393
   0.54257002  0.90930147  0.63249643
   0.23931297  0.93000493  0.58903823
   0.25475885  0.76827197 -0.11276544
   0.00600157  0.69207399  0.95276302
   0.67504866  0.04567623  0.09580801
   0.82497993  0.19743406  0.22213364
   0.57621189  0.27933910  0.00454096
   0.86404740  0.44748548  0.27803452
   0.00988570  0.51306918  0.11473220
   0.74936709  0.44841436  0.10160369
   0.67920943  0.20107817  0.38351721
   0.47438589  0.14543187  0.48467511
   0.72785595  0.08011856  0.54426263
   0.88084475  0.24948943  0.77119276
   0.63149822  0.35072655  0.54034917
   0.95043502  0.50347388  0.82039452
   1.12526772  0.55905491  0.59656664
   0.78355210  0.45554733  0.65755677
   0.73665894  0.09097328  0.90976735
   0.49877728  0.05104629  0.94513439
   0.52382278  0.53872681  0.02578821
   0.91481361  0.71072227  0.29664893
   0.60291065  0.78874162  0.05805503
   0.88045873  0.98133100  0.35117051
   0.95380039  0.91120018  0.17214257
   0.70940482  0.86727250  0.23222782
   0.79737601  0.57278199  0.45041086
   0.55833079  0.67405742  0.36874414
   0.57955246  0.60386309  0.55411332
   0.82831650  0.76709236  0.81169150
   0.69579881  0.83977075  0.47328648
   0.96323445  0.99386014  0.82507331
   0.98839181  0.84537108  0.67334324
   0.75390955  0.97450800  0.70357276
   0.75495097  0.61807474  0.94924881
   0.52124204  0.73353829  0.88048428
   0.77796659  0.77491061  0.63487717
   0.83075101  1.10208006  0.57970834
   0.98978076  0.28641622  0.12680707
   0.84117438  1.13088968  0.16086279
   0.37476819  0.08533727  0.61887492
   0.36750711  0.26465888  0.54881255
   0.44545161  1.29901481 -0.09978137
  -0.21566924  1.55632358  0.00489021
   0.71355310  0.44458034  0.83363259
   0.57565460  0.55828547  0.73108638
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.761760    0.405115    0.170668
    -0.000000    9.702072    0.297952
    -0.000000    0.000000   13.856049
   Si   O    H 
    32    64    10
Direct configuration=  3675
   0.12498712  0.17796132 -0.00141002
   0.37342013  0.12368823  0.40057842
   0.16626297  0.46105456  0.09450502
   0.38278108  0.35485392  0.24618232
   0.06089415  0.17600250  0.47716115
   0.36402954  0.08917107  0.87232846
   0.16297237  0.39760129  0.60364439
   0.36213064  0.38063178  0.75626720
   0.16350198  0.71118370 -0.02488282
   0.40371329  0.62433423  0.35874861
   0.10445259  0.94055601  0.13496262
   0.34705210  0.88305384  0.26101986
   0.14936481  0.63210327  0.48970284
   0.37670281  0.70845678  0.81179459
   0.08093113  0.90101364  0.58115379
   0.37294561  0.92943486  0.66665557
   0.62274700  0.11601483  0.99690102
   0.83132568  0.14658275  0.34098246
   0.59755768  0.40420162  0.08176151
   0.90545907  0.39300291  0.16580155
   0.62648479  0.20537747  0.49697768
   0.88356392  0.13584264  0.86716018
   0.60780934  0.47318303  0.63102076
   0.82931542  0.40924039  0.76239556
   0.59219435  0.68144851 -0.02574522
   0.90468095  0.55887797  0.35981733
   0.61317867  0.89996290  0.14276017
   0.87076705  0.86672171  0.26674726
   0.66103718  0.67937186  0.46647030
   0.90070345  0.64903410  0.87661041
   0.69482779  0.89213059  0.59642977
   0.88036778  0.90386323  0.75200483
   0.12361536  0.09421101  0.09585670
   0.36287577  0.20501285  0.29691618
   0.18286210  0.32722174  0.02456596
   0.40455707  0.46648150  0.32818370
   0.51338291  0.34642200  0.17377963
   0.24875510  0.42184429  0.18746253
   0.21597619  0.13972825  0.44378836
  -0.05258905  0.23044232  0.39330098
   0.01186434  0.04712325  0.53458466
   0.36864173  0.26896053  0.85921660
   0.03849861  0.30104299  0.56023441
   0.35843907  0.53577943  0.80398986
   0.50176282  0.35001292  0.69378107
   0.21876977  0.37034067  0.71324159
   0.21407612  0.09358901 -0.07811219
  -0.03858752  0.19484930  0.95791254
   0.24532646  0.57646126  0.01790734
   0.34168892  0.71948891  0.26941520
   0.13677618  0.84390009  0.04606225
   0.38543470  0.96885525  0.36189536
   0.45873242  0.93149032  0.18088424
   0.19650840  0.93551241  0.23041148
   0.30422363  0.64463929  0.45293499
   0.05660780  0.53008546  0.41278290
   0.28887910  0.35171306  0.53302249
   0.36588139  0.76452264  0.70335579
   0.07183678  0.78786432  0.49901219
   0.37298286  0.99973054  0.78426773
   0.54023836  0.90842087  0.63212721
   0.24048407  0.92980937  0.58792027
   0.25505602  0.76851038 -0.11309669
   0.00623081  0.69236983  0.95301472
   0.67357875  0.04443986  0.09616067
   0.82447079  0.19710140  0.22362210
   0.57597316  0.27946068  0.00483641
   0.86367071  0.44819458  0.27807280
   0.00977916  0.51379282  0.11534415
   0.74782130  0.44880698  0.10158225
   0.67962456  0.20243408  0.38217706
   0.47441721  0.14569333  0.48485356
   0.72685253  0.08069467  0.54629109
   0.88235759  0.25005129  0.77029796
   0.63023658  0.35422915  0.54086921
   0.95001494  0.50488320  0.82100018
   1.12600629  0.55970080  0.59613739
   0.78310752  0.45489534  0.65808600
   0.73770036  0.09093901  0.90957014
   0.49800257  0.04932038  0.94625337
   0.52468458  0.53800064  0.02499168
   0.91391926  0.70954850  0.29576134
   0.60397038  0.79010665  0.05834672
   0.87913078  0.97979739  0.35032393
   0.95384066  0.90833682  0.17300311
   0.70866765  0.86734200  0.23223118
   0.79741378  0.57130986  0.44977791
   0.55723222  0.67544878  0.36970445
   0.58049146  0.60349614  0.55319165
   0.82690446  0.76660849  0.81221764
   0.69519291  0.84070643  0.47380648
   0.96383046  0.99362338  0.82463408
   0.98950504  0.84472242  0.67362029
   0.75350697  0.97456189  0.70352228
   0.75441567  0.61775779  0.94949070
   0.52165673  0.73337658  0.87960540
   0.77437162  0.77845776  0.63729924
   0.81761288  1.09862905  0.57145395
   0.98959518  0.28657803  0.13008164
   0.84858436  1.12885654  0.15202672
   0.37348982  0.08606306  0.62054400
   0.35933304  0.26539873  0.55074626
   0.44533041  1.29800979 -0.10208989
  -0.22023377  1.55016889  0.00005308
   0.71224332  0.44326382  0.83183501
   0.57662971  0.55758438  0.72679293
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.762460    0.407065    0.171496
    -0.000000    9.704939    0.297728
    -0.000000    0.000000   13.854135
   Si   O    H 
    32    64    10
Direct configuration=  3676
   0.12388672  0.17758323 -0.00134738
   0.37217409  0.12238254  0.40149360
   0.16595419  0.46067368  0.09352360
   0.38186079  0.35472026  0.24694490
   0.06151949  0.17803429  0.47776742
   0.36369516  0.08973277  0.87237229
   0.16312743  0.39796111  0.60446344
   0.36224586  0.38067196  0.75613324
   0.16284656  0.71172005 -0.02481010
   0.40246816  0.62361078  0.35901044
   0.10400328  0.93996136  0.13488910
   0.34834317  0.88402975  0.26127467
   0.14866972  0.63305228  0.48939395
   0.37596023  0.70809693  0.81218587
   0.08279067  0.90026785  0.58124260
   0.37205325  0.92971468  0.66641475
   0.62298158  0.11634623  0.99760896
   0.83124775  0.14453867  0.34148072
   0.59650509  0.40415652  0.08142034
   0.90689452  0.39291934  0.16603839
   0.62652760  0.20469109  0.49630374
   0.88411681  0.13722324  0.86713258
   0.60754814  0.47328823  0.63038462
   0.82861514  0.41084024  0.76250491
   0.59154410  0.68097030 -0.02599696
   0.90312388  0.55906440  0.35907628
   0.61192256  0.89947396  0.14297813
   0.87015420  0.86518737  0.26607675
   0.66233678  0.67914388  0.46623757
   0.90138472  0.64804324  0.87544750
   0.69566245  0.89276613  0.59720835
   0.88079781  0.90237116  0.75184942
   0.12311771  0.09438520  0.09615266
   0.36202499  0.20394867  0.29684627
   0.18622461  0.32777430  0.02404053
   0.40498777  0.46555092  0.32911452
   0.51513758  0.34450978  0.17488783
   0.24900942  0.42056784  0.18872014
   0.21494537  0.14123893  0.44337230
  -0.05100548  0.23030955  0.39347079
   0.01253118  0.04750581  0.53438342
   0.36896554  0.26816292  0.85957665
   0.03550484  0.30068365  0.56016176
   0.35666285  0.53466619  0.80484750
   0.50315631  0.35040927  0.69485865
   0.21808275  0.37211053  0.71410812
   0.21536861  0.09222990 -0.07871318
  -0.03789025  0.19498110  0.95922610
   0.24436256  0.57457701  0.01635757
   0.34227419  0.72073918  0.26812217
   0.13715597  0.84320629  0.04563534
   0.38588304  0.96876097  0.36081762
   0.45835934  0.93196551  0.18099407
   0.19706818  0.93690205  0.23102974
   0.30476955  0.64346932  0.45322936
   0.05674117  0.52858171  0.41336398
   0.29212952  0.34987106  0.53359580
   0.36631416  0.76394908  0.70315558
   0.07158213  0.78664985  0.49830067
   0.37164297  0.99864715  0.78326784
   0.53857258  0.90794718  0.63128542
   0.24201777  0.92932544  0.58745431
   0.25601221  0.76868579 -0.11367815
   0.00630972  0.69227594  0.95306002
   0.67191869  0.04261109  0.09627424
   0.82352359  0.19666626  0.22413849
   0.57644257  0.27952519  0.00497606
   0.86332543  0.44913802  0.27834833
   0.01006006  0.51426417  0.11560119
   0.74708406  0.44945277  0.10135885
   0.68029829  0.20351626  0.38111445
   0.47475618  0.14542187  0.48500420
   0.72585587  0.08232501  0.54868736
   0.88429743  0.25065044  0.77025736
   0.62974586  0.35667536  0.54166872
   0.94890631  0.50713198  0.82165356
   1.12666700  0.56046817  0.59548991
   0.78226485  0.45398274  0.65821340
   0.73861797  0.09147301  0.90941800
   0.49602718  0.04759108  0.94712398
   0.52626513  0.53752611  0.02366239
   0.91326344  0.70931627  0.29488559
   0.60546190  0.79117488  0.05897482
   0.87831784  0.97939684  0.34941281
   0.95321291  0.90746111  0.17319978
   0.70817578  0.86698963  0.23241770
   0.79695386  0.57000966  0.44884188
   0.55618606  0.67659203  0.37069901
   0.58157279  0.60358043  0.55262110
   0.82599800  0.76614209  0.81291396
   0.69454706  0.84113897  0.47496218
   0.96407087  0.99435103  0.82479543
   0.99218653  0.84433206  0.67393260
   0.75250921  0.97392839  0.70347902
   0.75438023  0.61764805  0.94993093
   0.52134148  0.73287056  0.87888782
   0.77199954  0.77681959  0.63641483
   0.80773928  1.09772337  0.56405859
   0.98952348  0.28047103  0.13130339
   0.85430872  1.13981341  0.15331075
   0.37372940  0.08879346  0.62464261
   0.34287730  0.27595172  0.54949672
   0.44589192  1.29690598 -0.10293407
  -0.22359029  1.53884650  0.00072473
   0.71044128  0.43912028  0.82785719
   0.57666615  0.55521058  0.71592993
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.763459    0.409373    0.171819
    -0.000000    9.707774    0.297413
    -0.000000    0.000000   13.852094
   Si   O    H 
    32    64    10
Direct configuration=  3677
   0.12225470  0.17747211 -0.00138639
   0.37119111  0.12105127  0.40195805
   0.16572860  0.46091440  0.09229784
   0.38127982  0.35443165  0.24727777
   0.06172624  0.18012544  0.47815594
   0.36414921  0.08980247  0.87263221
   0.16289641  0.39769917  0.60543222
   0.36282288  0.38109723  0.75617782
   0.16274594  0.71207370 -0.02432764
   0.40052919  0.62304031  0.35922036
   0.10386851  0.93904869  0.13507923
   0.34966568  0.88453346  0.26175119
   0.14745418  0.63408013  0.48892179
   0.37537789  0.70769776  0.81259543
   0.08368400  0.90076403  0.58123735
   0.37189633  0.93065638  0.66597864
   0.62340059  0.11680946  0.99781368
   0.83072604  0.14297890  0.34196399
   0.59531795  0.40391899  0.08059898
   0.90789460  0.39308034  0.16631428
   0.62664245  0.20443681  0.49602775
   0.88463846  0.13852958  0.86694630
   0.60733647  0.47312771  0.62975252
   0.82735858  0.41263494  0.76280174
   0.59074247  0.68014826 -0.02642772
   0.90194844  0.55927212  0.35815420
   0.61035159  0.89905186  0.14322939
   0.86949725  0.86363608  0.26582115
   0.66273218  0.67922913  0.46587816
   0.90170301  0.64625202  0.87460623
   0.69568729  0.89346019  0.59826945
   0.88112359  0.90069731  0.75134816
   0.12169177  0.09390709  0.09700420
   0.36060450  0.20347049  0.29642299
   0.18901023  0.32834614  0.02387132
   0.40556574  0.46432068  0.32965536
   0.51675224  0.34331681  0.17641104
   0.24872467  0.41907375  0.18982392
   0.21287247  0.14226650  0.44240969
  -0.04931809  0.22984830  0.39389256
   0.01236282  0.04738489  0.53457767
   0.36962286  0.26638285  0.86022281
   0.03309746  0.30123521  0.55998686
   0.35468012  0.53352924  0.80582362
   0.50425251  0.35067159  0.69511946
   0.21661348  0.37395348  0.71438319
   0.21661249  0.08970805 -0.07892569
  -0.03662140  0.19509319  0.96008410
   0.24430755  0.57305146  0.01543483
   0.34240927  0.72093995  0.26686643
   0.13687098  0.84237028  0.04526748
   0.38568695  0.96783815  0.35989570
   0.45816173  0.93186036  0.18055899
   0.19691342  0.93825618  0.23151313
   0.30513511  0.64319123  0.45339642
   0.05644785  0.52756420  0.41441217
   0.29435466  0.35006646  0.53340692
   0.36682705  0.76365909  0.70330609
   0.07080007  0.78574475  0.49724607
   0.37061445  0.99759889  0.78193677
   0.53644546  0.90812815  0.63038185
   0.24344040  0.92866443  0.58719412
   0.25745649  0.76905147 -0.11388607
   0.00624147  0.69179937  0.95303900
   0.67122352  0.04038720  0.09675053
   0.82373569  0.19510871  0.22434341
   0.57729926  0.27911702  0.00520701
   0.86366724  0.44995924  0.27821218
   0.01067191  0.51447111  0.11555517
   0.74684527  0.45087865  0.10103730
   0.68124220  0.20438499  0.38005029
   0.47614864  0.14559790  0.48560719
   0.72291392  0.08253135  0.55103747
   0.88644132  0.25071673  0.77052090
   0.62812491  0.35810678  0.54281604
   0.94799819  0.50900900  0.82197422
   1.12725797  0.56101802  0.59539341
   0.78136435  0.45415730  0.65817935
   0.73921999  0.09215094  0.90912962
   0.49331748  0.04601040  0.94771749
   0.52811946  0.53851447  0.02222417
   0.91278743  0.70863627  0.29458722
   0.60680275  0.79243728  0.05910274
   0.87668997  0.97995442  0.34801823
   0.95284918  0.90645039  0.17315630
   0.70782223  0.86625536  0.23324645
   0.79578211  0.56893988  0.44772675
   0.55583498  0.67720018  0.37142343
   0.58236227  0.60394056  0.55224287
   0.82497258  0.76635837  0.81308357
   0.69317941  0.84110214  0.47627415
   0.96472721  0.99516222  0.82567015
   0.99519067  0.84350438  0.67377443
   0.75208225  0.97320397  0.70329767
   0.75437591  0.61754210  0.95010799
   0.52088048  0.73294430  0.87817535
   0.77072499  0.76787267  0.63549362
   0.83428656  1.10791512  0.56295513
   0.99144270  0.26979721  0.12944300
   0.85202569  1.15217160  0.16394453
   0.37473501  0.08984983  0.63281351
   0.34043271  0.27221240  0.55392829
   0.45151773  1.29888881 -0.10007056
  -0.22888149  1.53266408  0.00008343
   0.70701655  0.43431239  0.82517150
   0.57568678  0.55677459  0.70634001
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.764482    0.411960    0.171797
    -0.000000    9.710896    0.297170
    -0.000000    0.000000   13.850515
   Si   O    H 
    32    64    10
Direct configuration=  3678
   0.12046243  0.17810547 -0.00148365
   0.37020544  0.12038754  0.40219534
   0.16521986  0.46041980  0.09077811
   0.38108605  0.35383499  0.24765719
   0.06160034  0.18293047  0.47881290
   0.36465561  0.08987180  0.87313285
   0.16263910  0.39681358  0.60625686
   0.36414312  0.38213929  0.75644515
   0.16275213  0.71224526 -0.02404878
   0.39882361  0.62303242  0.35928565
   0.10366276  0.93811320  0.13551500
   0.35060533  0.88522920  0.26259582
   0.14616444  0.63449179  0.48835974
   0.37472096  0.70639618  0.81306009
   0.08437910  0.90120179  0.58075341
   0.37206084  0.93222675  0.66525028
   0.62329760  0.11799252  0.99767143
   0.83082816  0.14217967  0.34268027
   0.59442968  0.40394668  0.08004404
   0.90801301  0.39311932  0.16646916
   0.62730138  0.20464957  0.49559644
   0.88467236  0.13994018  0.86697029
   0.60754574  0.47228571  0.62900561
   0.82638067  0.41449868  0.76323097
   0.58997677  0.67930472 -0.02703123
   0.90165134  0.55881080  0.35708667
   0.60905501  0.89856294  0.14370535
   0.86861848  0.86238511  0.26614648
   0.66318594  0.68034929  0.46510650
   0.90227690  0.64466135  0.87409765
   0.69502472  0.89339491  0.59943980
   0.88110295  0.89889890  0.75059344
   0.12036201  0.09430224  0.09782129
   0.36054791  0.20382357  0.29604105
   0.19169743  0.32793599  0.02368161
   0.40624952  0.46299753  0.32981140
   0.51749156  0.34226906  0.17772528
   0.24837404  0.41702799  0.19057450
   0.21082700  0.14393514  0.44108910
  -0.04765906  0.22947385  0.39482576
   0.01220235  0.04652400  0.53513007
   0.37092971  0.26521982  0.86086185
   0.03115638  0.30168262  0.56056181
   0.35241823  0.53277088  0.80724350
   0.50453171  0.35100573  0.69588375
   0.21517781  0.37496850  0.71470244
   0.21751049  0.08631686 -0.07912624
  -0.03506996  0.19486934  0.96053124
   0.24492972  0.57160013  0.01481949
   0.34238601  0.72169431  0.26585517
   0.13687392  0.84161368  0.04394608
   0.38645250  0.96665225  0.35844301
   0.45895741  0.93228159  0.17934054
   0.19694779  0.93950018  0.23171801
   0.30555951  0.64342196  0.45277173
   0.05625028  0.52750222  0.41535983
   0.29635744  0.35167914  0.53371838
   0.36666837  0.76355527  0.70367867
   0.06985686  0.78507109  0.49603504
   0.36929470  0.99654043  0.78068128
   0.53492255  0.90835498  0.62921810
   0.24474061  0.92741193  0.58677926
   0.25821442  0.76982900 -0.11468769
   0.00599035  0.69106564  0.95289382
   0.67082259  0.03907399  0.09697400
   0.82455096  0.19408372  0.22524647
   0.57784219  0.27856980  0.00507087
   0.86380141  0.45069138  0.27810383
   0.01121025  0.51438079  0.11582024
   0.74715799  0.45214999  0.10076254
   0.68210856  0.20518763  0.37889447
   0.47800840  0.14615461  0.48586923
   0.72170859  0.08255406  0.55331947
   0.88823957  0.25149708  0.77157914
   0.62749548  0.35821821  0.54395346
   0.94808471  0.51046941  0.82195428
   1.12818099  0.56248320  0.59511293
   0.78057167  0.45465408  0.65821736
   0.73996140  0.09254250  0.90898091
   0.48962805  0.04475442  0.94822186
   0.53075409  0.53924966  0.02062250
   0.91259482  0.70745854  0.29407035
   0.60852122  0.79278590  0.05868819
   0.87509908  0.98045816  0.34652528
   0.95271978  0.90612281  0.17313105
   0.70803058  0.86548494  0.23446716
   0.79463769  0.56810063  0.44667757
   0.55552723  0.67651357  0.37248038
   0.58336494  0.60423931  0.55207898
   0.82409218  0.76569791  0.81300393
   0.69133071  0.84090008  0.47829091
   0.96536032  0.99741412  0.82648048
   0.99796278  0.84353387  0.67364142
   0.75199127  0.97221032  0.70292525
   0.75436224  0.61727244  0.95069369
   0.52091712  0.73304144  0.87675971
   0.76860630  0.76386703  0.63586835
   0.85076887  1.11313963  0.56080711
   0.98888723  0.26573118  0.12663248
   0.85050033  1.15804931  0.17497164
   0.37383353  0.09123299  0.64091698
   0.34469625  0.25777946  0.56280041
   0.45054353  1.29686577 -0.09818473
  -0.23429510  1.53315820  0.00077075
   0.70152159  0.42695156  0.82263739
   0.57486827  0.56390954  0.70610488
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.765899    0.415009    0.171765
    -0.000000    9.714148    0.297173
    -0.000000    0.000000   13.848542
   Si   O    H 
    32    64    10
Direct configuration=  3679
   0.11888036  0.17884486 -0.00156432
   0.36891157  0.11966927  0.40266801
   0.16547644  0.45998514  0.08902386
   0.38120029  0.35363259  0.24807568
   0.06174829  0.18667587  0.47916974
   0.36632819  0.08992551  0.87341545
   0.16234064  0.39631524  0.60671188
   0.36509185  0.38267349  0.75690156
   0.16330789  0.71329233 -0.02402774
   0.39827286  0.62318674  0.35918629
   0.10315248  0.93698217  0.13562930
   0.35111707  0.88598278  0.26324918
   0.14465092  0.63518529  0.48771225
   0.37372374  0.70502827  0.81365581
   0.08484631  0.90184246  0.57988305
   0.37231779  0.93347003  0.66431208
   0.62239618  0.11844956  0.99766187
   0.83087737  0.14188658  0.34309636
   0.59367491  0.40399881  0.07957708
   0.90755413  0.39299019  0.16667227
   0.62772439  0.20556952  0.49499221
   0.88519573  0.14167577  0.86710440
   0.60858033  0.47226589  0.62841422
   0.82502332  0.41620187  0.76351144
   0.58870722  0.67838573 -0.02729065
   0.90151661  0.55774348  0.35627643
   0.60810766  0.89770013  0.14420298
   0.86734352  0.86084839  0.26659841
   0.66368519  0.68160954  0.46420354
   0.90246158  0.64317598  0.87362618
   0.69433010  0.89323622  0.60006007
   0.88178646  0.89700415  0.74988306
   0.11946714  0.09400798  0.09944651
   0.36108774  0.20436220  0.29576578
   0.19413832  0.32689638  0.02298664
   0.40690849  0.46260481  0.33014319
   0.51827885  0.34149423  0.17871316
   0.24779644  0.41449838  0.19101295
   0.20981820  0.14557463  0.44022132
  -0.04587661  0.22871936  0.39546135
   0.01181220  0.04580914  0.53582966
   0.37201967  0.26517536  0.86162351
   0.02936613  0.30124294  0.56197646
   0.35170707  0.53254016  0.80795760
   0.50435790  0.35175262  0.69629915
   0.21336990  0.37556796  0.71476467
   0.21836984  0.08439586 -0.07866383
  -0.03343141  0.19495675  0.96088462
   0.24533676  0.57022813  0.01441707
   0.34233740  0.72198615  0.26500568
   0.13763516  0.84141795  0.04266018
   0.38799649  0.96485665  0.35768181
   0.45908036  0.93198686  0.17842436
   0.19672206  0.94067773  0.23200202
   0.30512211  0.64434298  0.45218866
   0.05681570  0.52854261  0.41592333
   0.29789784  0.35240274  0.53420150
   0.36639562  0.76313062  0.70398101
   0.06943588  0.78506178  0.49489863
   0.36752218  0.99576633  0.78024088
   0.53332959  0.90935341  0.62812283
   0.24516210  0.92568061  0.58720213
   0.25829041  0.77038977 -0.11587540
   0.00609033  0.69015426  0.95272400
   0.66998467  0.03798407  0.09725480
   0.82402997  0.19408563  0.22801490
   0.57866869  0.27884643  0.00458603
   0.86459651  0.45143854  0.27838472
   0.01077018  0.51397584  0.11603279
   0.74874889  0.45281313  0.10086513
   0.68245661  0.20582947  0.37801916
   0.47944867  0.14717438  0.48532307
   0.72020411  0.08244987  0.55560988
   0.88967001  0.25214781  0.77296798
   0.62748078  0.35747090  0.54457702
   0.94700239  0.51234820  0.82103383
   1.12874587  0.56384115  0.59426955
   0.78084703  0.45507686  0.65841916
   0.74061696  0.09269458  0.90931988
   0.48649977  0.04334783  0.94924499
   0.53326557  0.54028905  0.01879834
   0.91289239  0.70579819  0.29453760
   0.60941617  0.79267900  0.05828530
   0.87320443  0.98135374  0.34532086
   0.95296542  0.90598820  0.17324305
   0.70801274  0.86304483  0.23567571
   0.79335023  0.56745292  0.44523257
   0.55571707  0.67601754  0.37362648
   0.58426059  0.60486355  0.55177036
   0.82283428  0.76499356  0.81281105
   0.68956984  0.84196138  0.48020318
   0.96636624  0.99848781  0.82684954
   1.00092782  0.84386066  0.67363514
   0.75228477  0.97060590  0.70242979
   0.75444912  0.61652368  0.95128737
   0.52024547  0.73404833  0.87533130
   0.76512965  0.75767366  0.63294472
   0.85393407  1.10807768  0.55995272
   0.98666898  0.26542853  0.12437333
   0.86673744  1.14299953  0.15877370
   0.37245609  0.09474665  0.64798965
   0.34198094  0.25381030  0.56823161
   0.44611786  1.29510093 -0.09631821
  -0.23725263  1.53374376  0.00201335
   0.69782959  0.42228219  0.82261562
   0.57420971  0.57338972  0.70995282
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.767150    0.418534    0.171369
    -0.000000    9.717266    0.296735
    -0.000000    0.000000   13.846609
   Si   O    H 
    32    64    10
Direct configuration=  3680
   0.11792593  0.17932545 -0.00194887
   0.36742618  0.11869975  0.40273475
   0.16572126  0.46005179  0.08702602
   0.38114895  0.35273959  0.24868342
   0.06215731  0.19029057  0.47945421
   0.36733716  0.08991230  0.87381657
   0.16181567  0.39561418  0.60693323
   0.36552669  0.38279520  0.75725052
   0.16347428  0.71463309 -0.02442190
   0.39752685  0.62355820  0.35887883
   0.10300787  0.93591990  0.13594004
   0.35180188  0.88739689  0.26328170
   0.14278472  0.63567224  0.48699315
   0.37314647  0.70390332  0.81413911
   0.08538527  0.90310135  0.57914232
   0.37345669  0.93479719  0.66335459
   0.62202469  0.11880410  0.99741179
   0.83098313  0.14193266  0.34411033
   0.59279888  0.40387929  0.07967166
   0.90624001  0.39339281  0.16658362
   0.62827289  0.20712108  0.49464980
   0.88591424  0.14407451  0.86701911
   0.60966237  0.47275594  0.62788357
   0.82336229  0.41802702  0.76389506
   0.58735650  0.67782461 -0.02723149
   0.90176645  0.55679432  0.35575760
   0.60768475  0.89744097  0.14490504
   0.86573669  0.85886692  0.26703692
   0.66341681  0.68260250  0.46323014
   0.90204526  0.64211844  0.87317452
   0.69335404  0.89361669  0.60094798
   0.88254072  0.89480074  0.74953801
   0.11898348  0.09341028  0.10069683
   0.36250408  0.20422189  0.29585098
   0.19567229  0.32534684  0.02228315
   0.40745361  0.46207949  0.33037523
   0.51898398  0.34116478  0.17927020
   0.24708638  0.41195213  0.19133985
   0.20862969  0.14740094  0.43949170
  -0.04520903  0.22797750  0.39621770
   0.01129070  0.04528401  0.53690446
   0.37307772  0.26484369  0.86151262
   0.02915421  0.30075555  0.56304994
   0.35156965  0.53204825  0.80815771
   0.50457142  0.35358505  0.69705315
   0.21178823  0.37624577  0.71529000
   0.21857623  0.08222037 -0.07803782
  -0.03237756  0.19537427  0.96101554
   0.24532837  0.56865967  0.01413721
   0.34275273  0.72259582  0.26455207
   0.13869205  0.84163859  0.04215906
   0.38961381  0.96281921  0.35732586
   0.45874774  0.93230995  0.17784634
   0.19671899  0.94116009  0.23260251
   0.30405273  0.64518596  0.45236149
   0.05703088  0.53054264  0.41624851
   0.29927749  0.35259941  0.53491333
   0.36621208  0.76275046  0.70376566
   0.06920120  0.78561136  0.49343693
   0.36529241  0.99572803  0.78024269
   0.53208286  0.90996314  0.62679473
   0.24449840  0.92442885  0.58734202
   0.25738349  0.77026507 -0.11657295
   0.00539507  0.68852015  0.95278420
   0.66942240  0.03756454  0.09703635
   0.82387880  0.19360939  0.23038823
   0.57976619  0.27958274  0.00407580
   0.86599152  0.45176265  0.27789198
   0.01075115  0.51369362  0.11692806
   0.74982118  0.45355612  0.10100041
   0.68381985  0.20584981  0.37776817
   0.48082212  0.14822789  0.48512283
   0.71831162  0.08331869  0.55738699
   0.89123285  0.25325987  0.77449959
   0.62744105  0.35560810  0.54494037
   0.94596383  0.51326119  0.81928945
   1.12927243  0.56482742  0.59364827
   0.78106968  0.45517079  0.65826535
   0.74082181  0.09364887  0.90989883
   0.48470521  0.04264814  0.94966424
   0.53563372  0.54025512  0.01747528
   0.91294178  0.70388859  0.29508569
   0.61063230  0.79176180  0.05769863
   0.87096226  0.98216645  0.34508108
   0.95325589  0.90516757  0.17323342
   0.70702885  0.86134918  0.23656618
   0.79120393  0.56753463  0.44439787
   0.55509038  0.67503995  0.37446930
   0.58520523  0.60553960  0.55248791
   0.82226521  0.76430727  0.81244343
   0.68824235  0.84311107  0.48138442
   0.96590307  0.99965709  0.82750446
   1.00356134  0.84410905  0.67356527
   0.75244196  0.96932708  0.70137919
   0.75426316  0.61538648  0.95196296
   0.51874698  0.73430922  0.87356059
   0.76277085  0.75283655  0.63043113
   0.84556765  1.09373333  0.56205274
   0.98224144  0.27004115  0.12245833
   0.87651132  1.13336758  0.15454733
   0.37314682  0.10029128  0.65020234
   0.33574987  0.26002555  0.56878165
   0.44390164  1.29310233 -0.09340095
  -0.23449535  1.53907195  0.00209877
   0.69470512  0.41709160  0.82202496
   0.57552537  0.58007145  0.71495355
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.768671    0.421674    0.171518
    -0.000000    9.720391    0.296091
    -0.000000    0.000000   13.844217
   Si   O    H 
    32    64    10
Direct configuration=  3681
   0.11778325  0.17957401 -0.00242970
   0.36628402  0.11800083  0.40269220
   0.16634841  0.45988805  0.08497435
   0.38103003  0.35223509  0.24907044
   0.06234813  0.19367778  0.47980466
   0.36822852  0.08894970  0.87414455
   0.16138939  0.39502255  0.60708963
   0.36603253  0.38336785  0.75766862
   0.16419278  0.71609963 -0.02473483
   0.39733462  0.62433116  0.35879391
   0.10244607  0.93493034  0.13585419
   0.35210267  0.88932649  0.26322407
   0.14143068  0.63553910  0.48635532
   0.37303336  0.70252429  0.81455918
   0.08626653  0.90375213  0.57839813
   0.37424438  0.93627051  0.66251063
   0.62200296  0.11874628  0.99732408
   0.83103933  0.14197868  0.34486587
   0.59238427  0.40386463  0.07993682
   0.90521241  0.39402548  0.16677372
   0.62874357  0.20886021  0.49450235
   0.88683556  0.14688687  0.86669137
   0.61129469  0.47286993  0.62798482
   0.82201671  0.41942368  0.76415738
   0.58714468  0.67744000 -0.02726653
   0.90230130  0.55604575  0.35521416
   0.60753594  0.89752756  0.14526311
   0.86392074  0.85701783  0.26726516
   0.66281608  0.68352718  0.46316404
   0.90113295  0.64188568  0.87288492
   0.69203096  0.89400950  0.60175648
   0.88340320  0.89312311  0.74905448
   0.11867303  0.09345158  0.10191248
   0.36422774  0.20308404  0.29617128
   0.19543241  0.32399297  0.02115510
   0.40719510  0.46170439  0.33080621
   0.51996844  0.34072189  0.17949646
   0.24645356  0.41074744  0.19138499
   0.20785108  0.14912927  0.43926751
  -0.04555438  0.22773654  0.39685858
   0.01053761  0.04452475  0.53798983
   0.37396988  0.26477602  0.86126867
   0.02958950  0.30061536  0.56471715
   0.35109562  0.53176453  0.80928860
   0.50487596  0.35572618  0.69774444
   0.21032794  0.37558729  0.71541043
   0.21893723  0.08094333 -0.07723886
  -0.03153558  0.19650020  0.96138753
   0.24514238  0.56773652  0.01422977
   0.34263310  0.72315826  0.26428221
   0.14020190  0.84266538  0.04200431
   0.39067103  0.96175510  0.35697032
   0.45822048  0.93225806  0.17732130
   0.19658653  0.94169233  0.23334258
   0.30228209  0.64598426  0.45301440
   0.05652015  0.53273890  0.41650801
   0.30049398  0.35256959  0.53561961
   0.36601622  0.76256517  0.70317078
   0.06821592  0.78653956  0.49234727
   0.36335852  0.99634360  0.78034518
   0.53097900  0.91077144  0.62516835
   0.24385161  0.92239046  0.58740580
   0.25586235  0.76982602 -0.11709709
   0.00552396  0.68699848  0.95306527
   0.66875923  0.03766904  0.09673776
   0.82353728  0.19312792  0.23218830
   0.57973274  0.28121626  0.00400370
   0.86656469  0.45176231  0.27650809
   0.01039614  0.51285816  0.11823246
   0.75046474  0.45362671  0.10098867
   0.68609557  0.20553106  0.37754150
   0.48137779  0.14912285  0.48481565
   0.71714598  0.08482178  0.55881957
   0.89226003  0.25469919  0.77624397
   0.62865399  0.35341579  0.54464812
   0.94512846  0.51424545  0.81744789
   1.13039823  0.56519277  0.59366544
   0.78149910  0.45499088  0.65836888
   0.74048806  0.09447379  0.91083599
   0.48372932  0.04299164  0.94983070
   0.53757382  0.53976442  0.01636021
   0.91308064  0.70189727  0.29613169
   0.61151766  0.79001348  0.05712323
   0.86856140  0.98210454  0.34551234
   0.95287012  0.90381095  0.17324350
   0.70596828  0.85988032  0.23669534
   0.78795471  0.56821394  0.44309992
   0.55469788  0.67381827  0.37469065
   0.58642609  0.60607181  0.55304814
   0.82173157  0.76260644  0.81205601
   0.68702718  0.84449437  0.48260759
   0.96498228  1.00036911  0.82783192
   1.00531598  0.84467533  0.67336086
   0.75281758  0.96746043  0.70073490
   0.75399104  0.61449762  0.95253663
   0.51777248  0.73478825  0.87165203
   0.75623612  0.74817248  0.62738556
   0.82112041  1.08161835  0.56401614
   0.97852565  0.27684285  0.12339179
   0.88062700  1.13197203  0.16359466
   0.37207860  0.10723627  0.65065240
   0.33274262  0.26676053  0.56716817
   0.44189644  1.29255976 -0.09072556
  -0.23095877  1.54193093  0.00352180
   0.69471900  0.41357525  0.82409566
   0.57616638  0.58223335  0.71855124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.769827    0.424916    0.171333
    -0.000000    9.723414    0.295481
    -0.000000    0.000000   13.842568
   Si   O    H 
    32    64    10
Direct configuration=  3682
   0.11845082  0.17973254 -0.00312018
   0.36548186  0.11688913  0.40250492
   0.16649457  0.45919890  0.08321332
   0.38080884  0.35198788  0.24932823
   0.06186684  0.19659708  0.48023095
   0.36935630  0.08776910  0.87431878
   0.16122968  0.39476627  0.60675214
   0.36584261  0.38404317  0.75816885
   0.16583972  0.71662760 -0.02473557
   0.39725392  0.62531635  0.35811800
   0.10340184  0.93357929  0.13625188
   0.35210521  0.89100800  0.26318134
   0.13994948  0.63582762  0.48546348
   0.37332030  0.70131608  0.81485733
   0.08682415  0.90395493  0.57757119
   0.37555759  0.93704045  0.66179887
   0.62202714  0.11837624  0.99691736
   0.83171308  0.14222733  0.34531002
   0.59233412  0.40453694  0.08040316
   0.90404548  0.39515363  0.16670247
   0.62927575  0.21035207  0.49447219
   0.88654037  0.14881780  0.86653598
   0.61319925  0.47329601  0.62819358
   0.82054026  0.42013354  0.76539526
   0.58665787  0.67769734 -0.02723540
   0.90293909  0.55551350  0.35522076
   0.60738554  0.89759261  0.14542918
   0.86221951  0.85576699  0.26762999
   0.66265282  0.68442129  0.46314667
   0.90037975  0.64201532  0.87287026
   0.69037283  0.89395360  0.60250336
   0.88382154  0.89183750  0.74853938
   0.11825373  0.09421677  0.10269028
   0.36601383  0.20130923  0.29665292
   0.19487557  0.32163543  0.01986747
   0.40704933  0.46165441  0.33106083
   0.52094539  0.34074375  0.17968198
   0.24557762  0.40937697  0.19093462
   0.20781942  0.15043415  0.43942886
  -0.04531758  0.22765513  0.39727487
   0.00981633  0.04411119  0.53895017
   0.37491093  0.26520260  0.86119445
   0.03062814  0.30075788  0.56653618
   0.35122145  0.53145852  0.81047828
   0.50461516  0.35712354  0.69825284
   0.20948288  0.37570187  0.71591055
   0.21858916  0.08050692 -0.07611536
  -0.03195025  0.19835198  0.96138158
   0.24551615  0.56761755  0.01474363
   0.34382133  0.72275598  0.26424455
   0.14140708  0.84425400  0.04250725
   0.39131263  0.96114065  0.35757951
   0.45717969  0.93221788  0.17647513
   0.19699784  0.94204668  0.23432022
   0.30044356  0.64700187  0.45382093
   0.05658821  0.53524583  0.41648909
   0.30168143  0.35279921  0.53643311
   0.36547641  0.76330562  0.70290786
   0.06704262  0.78804863  0.49150129
   0.36167891  0.99693088  0.78059072
   0.52963079  0.91181567  0.62372422
   0.24365796  0.92142751  0.58766104
   0.25384188  0.76862085 -0.11805133
   0.00571822  0.68530532  0.95371545
   0.66850379  0.03825845  0.09635973
   0.82337825  0.19201426  0.23279965
   0.58038749  0.28287423  0.00392121
   0.86670019  0.45109111  0.27466727
   0.00981621  0.51210781  0.11887951
   0.75056765  0.45404141  0.10112042
   0.68765210  0.20419998  0.37835795
   0.48089125  0.14944598  0.48417932
   0.71575314  0.08583641  0.55980001
   0.89374199  0.25671180  0.77757120
   0.62957689  0.35133075  0.54389375
   0.94535619  0.51494134  0.81536727
   1.13160236  0.56476281  0.59355888
   0.78168649  0.45534892  0.65808337
   0.74033936  0.09457990  0.91201395
   0.48306245  0.04360010  0.94989652
   0.53875195  0.53934503  0.01584154
   0.91306619  0.69994457  0.29703384
   0.61174042  0.78807533  0.05656991
   0.86602352  0.98145758  0.34640174
   0.95291395  0.90232807  0.17315113
   0.70514509  0.85943966  0.23686506
   0.78469340  0.56897636  0.44181461
   0.55376750  0.67255075  0.37475243
   0.58737282  0.60731280  0.55386426
   0.82076331  0.76132437  0.81143281
   0.68628094  0.84538267  0.48377762
   0.96331757  1.00088207  0.82805714
   1.00671593  0.84490643  0.67267389
   0.75400568  0.96526785  0.70032987
   0.75396229  0.61363003  0.95315916
   0.51640866  0.73532605  0.87065286
   0.75068592  0.74900935  0.62415387
   0.79487480  1.07163200  0.56532390
   0.97593202  0.28222047  0.12282392
   0.87620497  1.13661913  0.18105986
   0.37044138  0.10867652  0.64934104
   0.33214844  0.27298932  0.56492526
   0.43955019  1.29162870 -0.08713535
  -0.22671444  1.53921089  0.00764333
   0.69538209  0.41162891  0.82670864
   0.58228982  0.57907875  0.71970906
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.770848    0.428138    0.171669
    -0.000000    9.726770    0.294512
    -0.000000    0.000000   13.840906
   Si   O    H 
    32    64    10
Direct configuration=  3683
   0.11998288  0.17965942 -0.00328960
   0.36471001  0.11576823  0.40249939
   0.16645840  0.45841626  0.08154863
   0.38078040  0.35091089  0.24975613
   0.06095751  0.19869578  0.48087529
   0.37034999  0.08599331  0.87424820
   0.16093686  0.39499329  0.60579076
   0.36578084  0.38514935  0.75876248
   0.16795498  0.71688882 -0.02472021
   0.39738555  0.62557936  0.35746298
   0.10458288  0.93286941  0.13656321
   0.35201542  0.89222670  0.26280634
   0.13852759  0.63562833  0.48425290
   0.37380679  0.70014091  0.81500250
   0.08689729  0.90432033  0.57681148
   0.37671046  0.93741042  0.66142532
   0.62145740  0.11747906  0.99634232
   0.83193688  0.14218484  0.34565368
   0.59228522  0.40581713  0.08127878
   0.90251191  0.39668567  0.16648536
   0.62904572  0.21157767  0.49427045
   0.88695633  0.15014467  0.86612687
   0.61482507  0.47422558  0.62856063
   0.81936061  0.42018125  0.76653797
   0.58687643  0.67954888 -0.02771026
   0.90284591  0.55573318  0.35534912
   0.60780616  0.89758182  0.14531492
   0.86064769  0.85399703  0.26818702
   0.66208380  0.68556870  0.46336178
   0.89907743  0.64277780  0.87316809
   0.68865287  0.89384984  0.60325008
   0.88500541  0.89133646  0.74796496
   0.11771637  0.09510923  0.10319226
   0.36730350  0.20004793  0.29696141
   0.19511448  0.31959955  0.01891847
   0.40714273  0.46232618  0.33119970
   0.52199618  0.34112545  0.18012574
   0.24525034  0.40853117  0.19009746
   0.20835102  0.15081682  0.43951995
  -0.04508949  0.22768180  0.39786015
   0.00974974  0.04360759  0.53957717
   0.37580341  0.26535998  0.86053158
   0.03232280  0.30185463  0.56827462
   0.35129304  0.53133980  0.81159512
   0.50478055  0.35856319  0.69878206
   0.20909767  0.37425476  0.71695117
   0.21895470  0.07917227 -0.07477532
  -0.03246352  0.19986754  0.96091699
   0.24572583  0.56825868  0.01505051
   0.34511612  0.72240102  0.26371904
   0.14304313  0.84607812  0.04313634
   0.39146307  0.96201247  0.35924209
   0.45572280  0.93208408  0.17534382
   0.19723671  0.94314759  0.23543183
   0.29759349  0.64697346  0.45429457
   0.05639730  0.53756628  0.41598061
   0.30181223  0.35418999  0.53736250
   0.36513008  0.76429525  0.70288543
   0.06612338  0.78974373  0.49097058
   0.35964064  0.99693329  0.78098104
   0.52855778  0.91323260  0.62267057
   0.24450411  0.92130027  0.58766132
   0.25167580  0.76640963 -0.11853145
   0.00541473  0.68419192  0.95394975
   0.66845322  0.03971184  0.09583553
   0.82382222  0.19180401  0.23282460
   0.58146720  0.28457736  0.00339737
   0.86689851  0.45055600  0.27317551
   0.00893808  0.51142187  0.11979986
   0.75109182  0.45447139  0.10116038
   0.68935282  0.20316791  0.37918846
   0.48014676  0.14979092  0.48313807
   0.71057447  0.08719526  0.56052112
   0.89516126  0.25872903  0.77859276
   0.63056507  0.34963166  0.54266436
   0.94551266  0.51510451  0.81347541
   1.13265405  0.56375561  0.59329178
   0.78264661  0.45582877  0.65756759
   0.74025705  0.09430925  0.91266563
   0.48380058  0.04402231  0.95022635
   0.54007521  0.53854584  0.01636297
   0.91262107  0.69916797  0.29714284
   0.61184574  0.78707569  0.05624705
   0.86407055  0.98049512  0.34707009
   0.95266971  0.90126135  0.17301136
   0.70406304  0.85814313  0.23705344
   0.78200389  0.56914060  0.44101318
   0.55264355  0.67177034  0.37495265
   0.58638848  0.60831086  0.55434121
   0.81988964  0.75980479  0.81136395
   0.68536944  0.84606130  0.48500589
   0.96185852  1.00136037  0.82809190
   1.00781899  0.84485621  0.67237751
   0.75541594  0.96387508  0.69923691
   0.75390661  0.61290506  0.95380178
   0.51545362  0.73583743  0.86998241
   0.74867590  0.74909309  0.62288031
   0.83550382  1.05909473  0.57219584
   0.97288875  0.28645824  0.12466422
   0.86615748  1.14885227  0.20011343
   0.36653351  0.10754754  0.64556368
   0.34038221  0.26551798  0.56749736
   0.43838374  1.29333328 -0.08404343
  -0.22201823  1.53223400  0.01350610
   0.69598515  0.41408477  0.82866740
   0.59019054  0.57675631  0.71830740
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.771529    0.431223    0.172093
    -0.000000    9.729828    0.293907
    -0.000000    0.000000   13.839026
   Si   O    H 
    32    64    10
Direct configuration=  3684
   0.12149762  0.17878973 -0.00305275
   0.36447507  0.11531033  0.40217797
   0.16679429  0.45718588  0.08016896
   0.38109744  0.34952898  0.24986009
   0.06022032  0.20033104  0.48169001
   0.37096991  0.08402904  0.87397790
   0.16087180  0.39490662  0.60496378
   0.36621827  0.38673292  0.75912522
   0.17016095  0.71773408 -0.02458618
   0.39797618  0.62606424  0.35711942
   0.10594800  0.93153012  0.13755377
   0.35194222  0.89331370  0.26264110
   0.13738067  0.63545985  0.48371814
   0.37395314  0.69884723  0.81518697
   0.08662388  0.90413626  0.57565768
   0.37716845  0.93828072  0.66129380
   0.62140551  0.11687636  0.99567673
   0.83220071  0.14187309  0.34640728
   0.59188808  0.40719927  0.08212967
   0.90032599  0.39916587  0.16637248
   0.62965210  0.21295123  0.49362838
   0.88742031  0.15110752  0.86586610
   0.61636401  0.47490313  0.62938644
   0.81828946  0.42022110  0.76789976
   0.58682296  0.68136016 -0.02808243
   0.90256808  0.55598221  0.35533732
   0.60875104  0.89740471  0.14561660
   0.85939756  0.85286859  0.26822748
   0.66118815  0.68680598  0.46397762
   0.89797812  0.64370682  0.87398016
   0.68686961  0.89335521  0.60393107
   0.88636672  0.89079804  0.74776317
   0.11680516  0.09577343  0.10332949
   0.36831343  0.19829106  0.29695317
   0.19547003  0.31697502  0.01764340
   0.40736114  0.46407254  0.33134216
   0.52248723  0.34168889  0.18030630
   0.24396181  0.40765464  0.18916503
   0.20868302  0.15077695  0.43974174
  -0.04576267  0.22754414  0.39758446
   0.00939937  0.04404813  0.54002602
   0.37553951  0.26523137  0.85959533
   0.03403687  0.30243941  0.57045592
   0.35126596  0.53132631  0.81281037
   0.50493570  0.35913828  0.69930479
   0.20901604  0.37294067  0.71708390
   0.21901291  0.07881579 -0.07352977
  -0.03380490  0.20165774  0.96052323
   0.24589469  0.56952192  0.01553590
   0.34575007  0.72182031  0.26351344
   0.14463407  0.84752889  0.04377405
   0.39166215  0.96176019  0.36138326
   0.45466433  0.93338696  0.17441716
   0.19703802  0.94425076  0.23600784
   0.29518700  0.64671351  0.45419941
   0.05584280  0.53913558  0.41531688
   0.30186708  0.35451706  0.53846135
   0.36520115  0.76538927  0.70353114
   0.06510481  0.79000111  0.49053744
   0.35800113  0.99656668  0.78165606
   0.52733129  0.91445606  0.62194371
   0.24616913  0.92053808  0.58763452
   0.25010761  0.76457589 -0.11904138
   0.00589490  0.68324146  0.95417121
   0.66817782  0.04095551  0.09505788
   0.82097310  0.19443233  0.23467964
   0.58159706  0.28574651  0.00311256
   0.86707503  0.45023218  0.27207554
   0.00787742  0.51013914  0.11977153
   0.75097624  0.45520745  0.10116218
   0.69108403  0.20219180  0.37970735
   0.47900731  0.14972893  0.48171717
   0.70609283  0.08826060  0.56089532
   0.89626322  0.26104395  0.77875054
   0.63120600  0.34821904  0.54192426
   0.94528697  0.51464170  0.81217309
   1.13454546  0.56271439  0.59265535
   0.78351534  0.45612384  0.65719128
   0.74094396  0.09510904  0.91312403
   0.48467593  0.04497980  0.95046631
   0.54073792  0.53755572  0.01682744
   0.91138861  0.69856610  0.29740151
   0.61125435  0.78568090  0.05592899
   0.86226801  0.97890591  0.34760713
   0.95240702  0.90032939  0.17342577
   0.70289575  0.85685915  0.23725978
   0.77979013  0.56858903  0.43946463
   0.55097297  0.67120286  0.37405451
   0.58453790  0.60912961  0.55426831
   0.81878526  0.75894533  0.81060660
   0.68485609  0.84584196  0.48551859
   0.96037673  1.00102457  0.82825603
   1.00897390  0.84460130  0.67261491
   0.75684163  0.96212530  0.69844565
   0.75378479  0.61213300  0.95405441
   0.51462709  0.73642939  0.87016525
   0.75189631  0.75188073  0.62203923
   0.86312200  1.05589513  0.57549143
   0.97146737  0.28279243  0.12570059
   0.90436969  1.11017143  0.17135373
   0.35994314  0.10401665  0.64169778
   0.34541449  0.26416460  0.56817159
   0.43180608  1.29902059 -0.08468262
  -0.22092190  1.52841296  0.01658223
   0.69215141  0.41638015  0.82969228
   0.59811349  0.57432382  0.71393899
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.772480    0.433824    0.172401
    -0.000000    9.732239    0.293134
    -0.000000    0.000000   13.837197
   Si   O    H 
    32    64    10
Direct configuration=  3685
   0.12332136  0.17800743 -0.00258316
   0.36376836  0.11518547  0.40203930
   0.16756704  0.45584013  0.07923319
   0.38065935  0.34781891  0.24988830
   0.05865849  0.20207914  0.48262062
   0.37116963  0.08201636  0.87348486
   0.16159540  0.39470939  0.60426372
   0.36709264  0.38822294  0.75923909
   0.17155343  0.71870910 -0.02414630
   0.39864441  0.62607886  0.35674061
   0.10728150  0.93028055  0.13856534
   0.35221839  0.89427614  0.26275361
   0.13644637  0.63512754  0.48311703
   0.37455113  0.69785472  0.81517097
   0.08586971  0.90411624  0.57456791
   0.37722817  0.93924929  0.66131741
   0.62182123  0.11569447  0.99487069
   0.83262121  0.14123165  0.34665860
   0.59117270  0.40842262  0.08274696
   0.89814905  0.40087964  0.16611571
   0.63075207  0.21352880  0.49307763
   0.88822768  0.15219671  0.86577045
   0.61773440  0.47547330  0.63030836
   0.81747733  0.42022749  0.76908486
   0.58766706  0.68272046 -0.02854280
   0.90182182  0.55663976  0.35530327
   0.60992108  0.89737139  0.14580387
   0.85818469  0.85191119  0.26834457
   0.66017952  0.68760548  0.46462962
   0.89729581  0.64449442  0.87487573
   0.68524382  0.89293560  0.60453762
   0.88725988  0.89096156  0.74769075
   0.11469954  0.09666607  0.10369735
   0.36904115  0.19680532  0.29673039
   0.19567302  0.31555049  0.01601056
   0.40714889  0.46602575  0.33179849
   0.52337199  0.34333016  0.18047134
   0.24356071  0.40698658  0.18823097
   0.20929643  0.15005654  0.44002144
  -0.04604676  0.22805233  0.39710187
   0.00881624  0.04499250  0.54104579
   0.37520254  0.26511972  0.85867829
   0.03552624  0.30336829  0.57205239
   0.35181990  0.53064840  0.81456741
   0.50500644  0.35885095  0.69942129
   0.20861689  0.37240395  0.71767038
   0.21929939  0.07836764 -0.07255399
  -0.03552239  0.20379232  0.96026669
   0.24579922  0.57144020  0.01562331
   0.34638469  0.72254961  0.26379707
   0.14591568  0.84837030  0.04441419
   0.39169785  0.96132806  0.36320611
   0.45296690  0.93346059  0.17364416
   0.19615516  0.94486257  0.23604671
   0.29325364  0.64710341  0.45398111
   0.05388971  0.53963505  0.41464107
   0.30273024  0.35487532  0.53958201
   0.36551193  0.76524310  0.70397023
   0.06373915  0.78985656  0.49034744
   0.35637554  0.99594470  0.78194130
   0.52688870  0.91571833  0.62161321
   0.24758869  0.91922252  0.58805245
   0.24911248  0.76323636 -0.11889185
   0.00694490  0.68242358  0.95382007
   0.66695657  0.04154197  0.09426127
   0.81827283  0.19694328  0.23452840
   0.58170466  0.28627107  0.00234375
   0.86717441  0.45007366  0.27129224
   0.00717936  0.50927882  0.11991953
   0.75024926  0.45540259  0.10160922
   0.69177056  0.20125552  0.38084061
   0.47731093  0.14930110  0.48025614
   0.70293386  0.08910718  0.56116689
   0.89697434  0.26360405  0.77865346
   0.63217765  0.34770410  0.54150210
   0.94400924  0.51396146  0.81091206
   1.13590760  0.56235129  0.59187550
   0.78463316  0.45602164  0.65658656
   0.74166112  0.09640976  0.91376826
   0.48640898  0.04566003  0.95062256
   0.53983725  0.53738343  0.01787769
   0.91023590  0.69887980  0.29800027
   0.61046374  0.78483034  0.05558420
   0.86048457  0.97684139  0.34839790
   0.95227772  0.89922843  0.17408397
   0.70161784  0.85622888  0.23707943
   0.77791404  0.56792681  0.43802464
   0.54899401  0.67045714  0.37336386
   0.58322120  0.60939735  0.55526483
   0.81891104  0.75793866  0.81013109
   0.68458689  0.84570408  0.48625064
   0.95864529  0.99997575  0.82888200
   1.01008745  0.84483145  0.67326669
   0.75850333  0.96052207  0.69809879
   0.75444805  0.61091845  0.95433346
   0.51370322  0.73770154  0.87094642
   0.75528189  0.75315574  0.62372357
   0.88577646  1.06214760  0.57183325
   0.97385221  0.27560030  0.12538867
   0.92735753  1.08655030  0.15472611
   0.35649620  0.09778622  0.63798481
   0.34992040  0.27054812  0.56763038
   0.42109998  1.30544127 -0.08817937
  -0.22616062  1.53088760  0.01876234
   0.68923568  0.42151520  0.82950076
   0.60432528  0.56596496  0.71240827
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.773143    0.437106    0.172293
    -0.000000    9.734371    0.291967
    -0.000000    0.000000   13.835159
   Si   O    H 
    32    64    10
Direct configuration=  3686
   0.12499417  0.17685143 -0.00247905
   0.36349402  0.11519196  0.40165099
   0.16836398  0.45456066  0.07847850
   0.37974332  0.34612279  0.25008154
   0.05741661  0.20394942  0.48353113
   0.37025372  0.08019650  0.87308351
   0.16240366  0.39470917  0.60386941
   0.36744423  0.38926696  0.75945882
   0.17176991  0.71944196 -0.02372976
   0.39851984  0.62641765  0.35649714
   0.10852864  0.92917964  0.13967358
   0.35230219  0.89468977  0.26281523
   0.13573570  0.63454461  0.48233085
   0.37518291  0.69724701  0.81470021
   0.08528806  0.90353792  0.57353405
   0.37698772  0.93997498  0.66171841
   0.62213685  0.11498127  0.99423099
   0.83296442  0.14066097  0.34661478
   0.59034430  0.40913200  0.08310114
   0.89636268  0.40234143  0.16576316
   0.63188307  0.21326126  0.49244440
   0.88888953  0.15294948  0.86556990
   0.61925849  0.47631441  0.63093669
   0.81673523  0.41967003  0.77019485
   0.58849470  0.68373408 -0.02925294
   0.90136865  0.55809455  0.35592974
   0.61095064  0.89772779  0.14573976
   0.85709237  0.85183249  0.26855005
   0.65870808  0.68752070  0.46528568
   0.89638280  0.64547660  0.87605275
   0.68387861  0.89225621  0.60516779
   0.88891424  0.89156552  0.74814655
   0.11310680  0.09689372  0.10407991
   0.37016044  0.19652463  0.29613133
   0.19564559  0.31469755  0.01439851
   0.40726448  0.46671977  0.33213880
   0.52423937  0.34485933  0.18017948
   0.24311874  0.40695758  0.18708299
   0.20904021  0.14942372  0.44131772
  -0.04639148  0.22808364  0.39631494
   0.00669065  0.04696348  0.54247962
   0.37541610  0.26488409  0.85785744
   0.03697755  0.30452321  0.57425485
   0.35248076  0.53036025  0.81621669
   0.50493673  0.35934054  0.69935453
   0.20842861  0.37229006  0.71806628
   0.21959914  0.07894677 -0.07170852
  -0.03734408  0.20547869  0.95986640
   0.24590195  0.57377098  0.01617846
   0.34696302  0.72405392  0.26367814
   0.14737502  0.84842005  0.04547265
   0.39168243  0.96032093  0.36448609
   0.45200165  0.93324531  0.17272124
   0.19549230  0.94525473  0.23661737
   0.29114887  0.64700277  0.45311084
   0.05110476  0.54045651  0.41328088
   0.30308451  0.35484873  0.54046092
   0.36629206  0.76442284  0.70540630
   0.06296757  0.79003676  0.48988333
   0.35514178  0.99409455  0.78157417
   0.52667174  0.91741039  0.62067035
   0.24820029  0.91835187  0.58855799
   0.24792804  0.76171666 -0.11947427
   0.00834189  0.68203991  0.95342951
   0.66598849  0.04181207  0.09381468
   0.81546452  0.19930278  0.23388331
   0.58250528  0.28602925  0.00209742
   0.86678416  0.45101775  0.27146997
   0.00748291  0.50766719  0.11941201
   0.74989390  0.45499845  0.10154411
   0.69197265  0.20017341  0.38217498
   0.47488063  0.15026128  0.47885786
   0.70073454  0.08977075  0.56026974
   0.89704644  0.26494026  0.77905243
   0.63304170  0.34877144  0.54190831
   0.94234045  0.51359322  0.80988664
   1.13703383  0.56127718  0.59090165
   0.78560349  0.45520583  0.65650901
   0.74194928  0.09793828  0.91372129
   0.48795360  0.04602909  0.95111426
   0.53838941  0.53688096  0.01858601
   0.91014746  0.70012046  0.29849539
   0.60922414  0.78398833  0.05589457
   0.85936377  0.97512474  0.34951478
   0.95214779  0.89791270  0.17487685
   0.70088379  0.85455842  0.23703854
   0.77673132  0.56731992  0.43703517
   0.54847686  0.67011887  0.37285791
   0.58184939  0.60974719  0.55670400
   0.81902193  0.75750289  0.80945315
   0.68398598  0.84649354  0.48669326
   0.95648249  0.99830946  0.82935955
   1.01089659  0.84506272  0.67364108
   0.76021948  0.95979615  0.69799493
   0.75531606  0.61007772  0.95467100
   0.51346574  0.73870777  0.87189893
   0.75718261  0.75438007  0.62474532
   0.90736436  1.06917805  0.56646503
   0.97499938  0.26932026  0.12278503
   0.94263997  1.07351754  0.14414938
   0.35762683  0.08912686  0.63612415
   0.35296989  0.28316457  0.56593100
   0.41317139  1.31486056 -0.08963785
  -0.23403411  1.53590846  0.01823600
   0.68610800  0.42553789  0.82685701
   0.60662391  0.56235675  0.71374975
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.773999    0.439010    0.171952
    -0.000000    9.736304    0.291057
    -0.000000    0.000000   13.833511
   Si   O    H 
    32    64    10
Direct configuration=  3687
   0.12592238  0.17540577 -0.00229628
   0.36323500  0.11470007  0.40128623
   0.16912571  0.45214924  0.07788960
   0.37896883  0.34551940  0.25029935
   0.05620971  0.20587610  0.48454025
   0.36845597  0.07921517  0.87275341
   0.16353748  0.39452363  0.60379234
   0.36751254  0.39016244  0.75972159
   0.17162974  0.71997503 -0.02302094
   0.39849773  0.62703772  0.35636484
   0.10958681  0.92780420  0.14069481
   0.35179766  0.89416014  0.26334741
   0.13481654  0.63380768  0.48240712
   0.37554192  0.69641865  0.81421825
   0.08434018  0.90236302  0.57299570
   0.37631204  0.94113617  0.66227919
   0.62241095  0.11484577  0.99349612
   0.83252749  0.14062889  0.34593284
   0.59028023  0.40975170  0.08370937
   0.89461116  0.40290619  0.16528323
   0.63322372  0.21306673  0.49167169
   0.88958579  0.15301489  0.86540658
   0.62089839  0.47696687  0.63154344
   0.81681383  0.41949105  0.77104168
   0.58947817  0.68437950 -0.03021435
   0.90115194  0.55954759  0.35650224
   0.61208269  0.89775808  0.14571814
   0.85558209  0.85219891  0.26903985
   0.65696984  0.68779464  0.46563848
   0.89583080  0.64676327  0.87755650
   0.68268168  0.89089671  0.60576794
   0.89066426  0.89193549  0.74901113
   0.11082994  0.09764502  0.10459591
   0.37097211  0.19595230  0.29539456
   0.19604897  0.31406673  0.01242507
   0.40699905  0.46708704  0.33297707
   0.52484308  0.34704910  0.18001287
   0.24305549  0.40634411  0.18606232
   0.20780879  0.14829417  0.44279588
  -0.04701793  0.22813592  0.39581381
   0.00417497  0.04866896  0.54362206
   0.37594883  0.26412772  0.85675156
   0.03777722  0.30545051  0.57565551
   0.35315268  0.53075891  0.81818299
   0.50522101  0.35904678  0.69930041
   0.20810886  0.37220410  0.71872808
   0.21963536  0.07930862 -0.07079103
  -0.03866502  0.20707673  0.95895338
   0.24627152  0.57566600  0.01707228
   0.34711390  0.72534927  0.26417333
   0.14929561  0.84836733  0.04664659
   0.39217804  0.95841532  0.36554015
   0.45142125  0.93372660  0.17176397
   0.19472680  0.94513616  0.23706882
   0.29007603  0.64620527  0.45268228
   0.04762362  0.54047502  0.41191237
   0.30347437  0.35563950  0.54099933
   0.36674416  0.76374411  0.70732520
   0.06243622  0.79046936  0.48946195
   0.35474626  0.99166997  0.78051801
   0.52707173  0.91930868  0.61965898
   0.24806875  0.91769959  0.58901568
   0.24690609  0.75978855 -0.11991467
   0.00851560  0.68168736  0.95316927
   0.66554416  0.04128310  0.09316215
   0.81366123  0.20150264  0.23315397
   0.58339550  0.28560797  0.00216440
   0.86664584  0.45191017  0.27171428
   0.00821070  0.50659477  0.11890050
   0.74964965  0.45506868  0.10047035
   0.69116621  0.19896492  0.38349906
   0.47252775  0.15119532  0.47768136
   0.69851279  0.09063706  0.55913140
   0.89668899  0.26675523  0.77956563
   0.63389562  0.35087560  0.54278499
   0.94043189  0.51284443  0.80937186
   1.13759144  0.56033540  0.59037832
   0.78710360  0.45364073  0.65677563
   0.74177656  0.09947251  0.91333841
   0.48901507  0.04660056  0.95182329
   0.53736281  0.53808171  0.01878158
   0.91001712  0.70213517  0.29864594
   0.60794698  0.78398323  0.05719904
   0.85785665  0.97379026  0.35119376
   0.95205291  0.89683535  0.17513227
   0.70011604  0.85314731  0.23657715
   0.77602740  0.56686557  0.43582697
   0.54854079  0.67068658  0.37219693
   0.58085851  0.60983730  0.55829908
   0.82001935  0.75806264  0.80910227
   0.68352724  0.84721823  0.48684413
   0.95370946  0.99678331  0.82990205
   1.01142622  0.84518233  0.67382008
   0.76122104  0.95918968  0.69844735
   0.75644467  0.60944989  0.95459318
   0.51378043  0.74051249  0.87332026
   0.75968785  0.75956555  0.62720292
   0.92821124  1.06998946  0.56078116
   0.97197721  0.26485728  0.12148098
   0.95453309  1.06456372  0.13599122
   0.35732204  0.08293260  0.63493096
   0.36613481  0.28205148  0.56802475
   0.41126701  1.32411188 -0.08819386
  -0.24067347  1.54017435  0.01584883
   0.68314131  0.42918343  0.82332489
   0.60248874  0.56695596  0.71885406
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.774850    0.440670    0.171550
    -0.000000    9.738112    0.289324
    -0.000000    0.000000   13.831710
   Si   O    H 
    32    64    10
Direct configuration=  3688
   0.12630655  0.17416510 -0.00219108
   0.36300243  0.11377869  0.40101050
   0.17020541  0.45016623  0.07814022
   0.37816705  0.34503390  0.25036336
   0.05485657  0.20752790  0.48493317
   0.36705863  0.07815348  0.87226816
   0.16481507  0.39450078  0.60367658
   0.36743951  0.39105107  0.76014324
   0.17073069  0.72019512 -0.02175281
   0.39800713  0.62765498  0.35657234
   0.11049615  0.92652898  0.14177288
   0.35129334  0.89375317  0.26382740
   0.13354616  0.63400210  0.48263113
   0.37628932  0.69533433  0.81411291
   0.08333175  0.89980629  0.57272920
   0.37585783  0.94236319  0.66251418
   0.62264929  0.11552092  0.99256404
   0.83234283  0.14090535  0.34452001
   0.59063916  0.40978745  0.08385425
   0.89398995  0.40259467  0.16513851
   0.63452193  0.21259002  0.49106614
   0.88980422  0.15360187  0.86555577
   0.62157271  0.47737558  0.63206034
   0.81682347  0.41970092  0.77155788
   0.58998097  0.68471364 -0.03091898
   0.90127791  0.56101575  0.35696001
   0.61297060  0.89813398  0.14559774
   0.85456512  0.85257926  0.26977884
   0.65448360  0.68835013  0.46594731
   0.89538554  0.64796540  0.87872866
   0.68137782  0.89058892  0.60582354
   0.89190740  0.89165477  0.74977045
   0.10833979  0.09766434  0.10502760
   0.37180826  0.19604637  0.29524287
   0.19690948  0.31397328  0.01017204
   0.40558496  0.46698106  0.33373136
   0.52488409  0.34867293  0.17970618
   0.24380930  0.40603396  0.18523322
   0.20567225  0.14763976  0.44476221
  -0.04739284  0.22942917  0.39522235
   0.00436418  0.04981223  0.54362989
   0.37546251  0.26305179  0.85605206
   0.03886773  0.30577347  0.57623841
   0.35436685  0.53069879  0.81954299
   0.50583343  0.35808360  0.69934313
   0.20813770  0.37293304  0.71957682
   0.22011221  0.07937600 -0.06969305
  -0.03890297  0.20799088  0.95826745
   0.24593641  0.57648222  0.01806655
   0.34709621  0.72667448  0.26504454
   0.15159825  0.84783553  0.04784463
   0.39257623  0.95616985  0.36624634
   0.45126496  0.93427418  0.17097432
   0.19444692  0.94463245  0.23778558
   0.28968006  0.64514710  0.45144741
   0.04455896  0.53935410  0.41055238
   0.30321616  0.35606193  0.54126928
   0.36694332  0.76301136  0.70882224
   0.06219791  0.79210240  0.48895339
   0.35422448  0.98988659  0.78021346
   0.52666458  0.92007516  0.61806830
   0.24719115  0.91623214  0.58906218
   0.24656079  0.75884166 -0.12007560
   0.00933852  0.68151485  0.95273114
   0.66532645  0.04013311  0.09288730
   0.81209588  0.20373927  0.23265065
   0.58448852  0.28426235  0.00263222
   0.86730659  0.45322703  0.27291893
   0.00931586  0.50530154  0.11886736
   0.74971713  0.45566812  0.09930447
   0.69016708  0.19798719  0.38514633
   0.47055445  0.15259961  0.47585625
   0.69811194  0.09112596  0.55781775
   0.89647981  0.26795464  0.78120668
   0.63399613  0.35402481  0.54381544
   0.93766639  0.51294403  0.80947437
   1.13732177  0.55952490  0.59040985
   0.78766697  0.45247569  0.65775313
   0.74190396  0.10079039  0.91317554
   0.48984768  0.04750514  0.95264290
   0.53603270  0.54026036  0.01851652
   0.90954235  0.70450661  0.29925743
   0.60696816  0.78434296  0.05850383
   0.85611592  0.97235343  0.35312981
   0.95173109  0.89510637  0.17500588
   0.69899108  0.85225753  0.23635613
   0.77613897  0.56648176  0.43451884
   0.54925886  0.67218948  0.37179018
   0.57996140  0.61032698  0.55983214
   0.82060911  0.75923070  0.80842129
   0.68284556  0.84758372  0.48639901
   0.95107257  0.99566980  0.83045070
   1.01117878  0.84508329  0.67403485
   0.76111040  0.95890576  0.69880480
   0.75742492  0.60917055  0.95417225
   0.51323044  0.74183207  0.87442718
   0.76082437  0.76321818  0.63065003
   0.87993126  1.08641603  0.57305987
   0.96464767  0.26205517  0.12255015
   0.96442949  1.06820713  0.13165468
   0.35745694  0.08915807  0.63157929
   0.37605416  0.28531529  0.56808511
   0.41146650  1.32501847 -0.08985872
  -0.24196020  1.54255552  0.01593323
   0.67978970  0.43365758  0.82108207
   0.59609390  0.57251559  0.72187193
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.775682    0.442266    0.171299
    -0.000000    9.740294    0.287477
    -0.000000    0.000000   13.829387
   Si   O    H 
    32    64    10
Direct configuration=  3689
   0.12647209  0.17279783 -0.00288531
   0.36233092  0.11256667  0.40068185
   0.17094204  0.44792694  0.07900387
   0.37761662  0.34524015  0.25079574
   0.05393542  0.20876195  0.48479097
   0.36535785  0.07740334  0.87236858
   0.16620068  0.39407799  0.60391598
   0.36734048  0.39127319  0.76058647
   0.16993800  0.71957419 -0.02062309
   0.39730434  0.62752193  0.35693739
   0.11118661  0.92592184  0.14276727
   0.35056614  0.89361315  0.26453060
   0.13238074  0.63430378  0.48313016
   0.37732912  0.69481350  0.81390033
   0.08278774  0.89704295  0.57273926
   0.37501803  0.94381915  0.66247329
   0.62351852  0.11664756  0.99179498
   0.83228398  0.14144502  0.34253847
   0.59105934  0.40931796  0.08353250
   0.89295963  0.40169250  0.16459475
   0.63544487  0.21179277  0.49017873
   0.89001650  0.15395996  0.86609640
   0.62201083  0.47806571  0.63250363
   0.81687936  0.42020291  0.77175058
   0.59014651  0.68522443 -0.03168781
   0.90091784  0.56228168  0.35712602
   0.61338633  0.89887380  0.14489700
   0.85368455  0.85291605  0.27039376
   0.65212073  0.68891348  0.46600103
   0.89517003  0.64875344  0.87985143
   0.68101963  0.89036164  0.60573249
   0.89309176  0.89161268  0.75008891
   0.10569283  0.09758117  0.10571621
   0.37178794  0.19699805  0.29487983
   0.19682397  0.31489946  0.00805932
   0.40452863  0.46651525  0.33411620
   0.52432080  0.34958850  0.17945309
   0.24434622  0.40585365  0.18478569
   0.20370495  0.14649212  0.44634449
  -0.04765191  0.23062261  0.39432771
   0.00341299  0.05085786  0.54360132
   0.37571037  0.26217028  0.85534988
   0.03965524  0.30576703  0.57714144
   0.35564158  0.53066300  0.82033125
   0.50574996  0.35744296  0.69965552
   0.20838825  0.37359588  0.72055434
   0.22029775  0.07898499 -0.06854495
  -0.03846710  0.20760822  0.95782385
   0.24493863  0.57686405  0.01981719
   0.34707068  0.72722794  0.26614946
   0.15462926  0.84681881  0.04881038
   0.39236712  0.95421953  0.36678540
   0.45087052  0.93468243  0.17088144
   0.19465879  0.94352584  0.23868748
   0.28969793  0.64476142  0.44962284
   0.04239609  0.53876205  0.40994400
   0.30357096  0.35533316  0.54137838
   0.36661053  0.76325747  0.70989277
   0.06138660  0.79353587  0.48928009
   0.35390866  0.98895711  0.78017537
   0.52677421  0.91977784  0.61682176
   0.24551524  0.91446976  0.58952656
   0.24632262  0.75814521 -0.12035973
   0.00982416  0.68099014  0.95216573
   0.66546128  0.03894020  0.09199245
   0.81092621  0.20604550  0.23186476
   0.58524805  0.28273498  0.00281676
   0.86782077  0.45471917  0.27360290
   0.01104532  0.50428059  0.11805538
   0.74936396  0.45676092  0.09867345
   0.68834314  0.19786387  0.38649382
   0.46947591  0.15444497  0.47407259
   0.69894187  0.09142484  0.55572513
   0.89637471  0.26876394  0.78260858
   0.63376250  0.35748151  0.54423431
   0.93451188  0.51337896  0.80920158
   1.13657819  0.55853205  0.59015776
   0.78797876  0.45115929  0.65882595
   0.74216872  0.10332010  0.91322281
   0.48943538  0.04856507  0.95316455
   0.53390828  0.54243487  0.01838985
   0.90905896  0.70649015  0.30014566
   0.60633500  0.78543559  0.05965364
   0.85450133  0.97217450  0.35500341
   0.95128996  0.89447699  0.17502060
   0.69811703  0.85212867  0.23632695
   0.77617267  0.56604270  0.43358874
   0.55033075  0.67438702  0.37171237
   0.57897384  0.60996935  0.56076537
   0.82159992  0.76085147  0.80797278
   0.68215693  0.84739372  0.48543664
   0.94950704  0.99510610  0.83076517
   1.01133292  0.84522347  0.67404631
   0.76052393  0.95906349  0.69937450
   0.75786494  0.61049396  0.95366536
   0.51310346  0.74342019  0.87578761
   0.76072801  0.76636040  0.63323172
   0.83763111  1.09426342  0.58347722
   0.95483623  0.25978633  0.12413144
   0.97528228  1.08084604  0.12746825
   0.36017872  0.10040612  0.62769026
   0.37790592  0.29520350  0.56743346
   0.41370453  1.31245053 -0.09421722
  -0.23930995  1.54659862  0.01597132
   0.68246441  0.43783939  0.81771408
   0.58847084  0.57801422  0.72410010
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.777005    0.444146    0.171745
    -0.000000    9.742529    0.285519
    -0.000000    0.000000   13.827460
   Si   O    H 
    32    64    10
Direct configuration=  3690
   0.12616285  0.17208119 -0.00395195
   0.36173078  0.11104654  0.40046802
   0.17174162  0.44624136  0.07973113
   0.37787054  0.34568443  0.25085087
   0.05367841  0.20922902  0.48445547
   0.36407649  0.07681456  0.87234651
   0.16767214  0.39384792  0.60411327
   0.36666733  0.39107866  0.76045053
   0.16859542  0.71829539 -0.01989267
   0.39619573  0.62753070  0.35751116
   0.11179089  0.92555325  0.14394505
   0.34983081  0.89363603  0.26505957
   0.13087962  0.63470068  0.48356651
   0.37867015  0.69414499  0.81385577
   0.08199521  0.89494617  0.57288398
   0.37414180  0.94499606  0.66239308
   0.62485493  0.11819643  0.99115723
   0.83257523  0.14125953  0.33996424
   0.59171469  0.40880749  0.08294671
   0.89226356  0.40032839  0.16418153
   0.63587638  0.21132388  0.48959843
   0.89028722  0.15386290  0.86684275
   0.62230183  0.47857923  0.63326023
   0.81751045  0.42085595  0.77151925
   0.59035653  0.68575176 -0.03204011
   0.90080911  0.56307551  0.35717730
   0.61395007  0.89940706  0.14374327
   0.85278862  0.85408129  0.27078367
   0.65056311  0.68930581  0.46614781
   0.89512542  0.64944466  0.88024750
   0.68059281  0.89026133  0.60502391
   0.89442189  0.89158861  0.75084602
   0.10289548  0.09724039  0.10651217
   0.37139267  0.19642801  0.29477237
   0.19661363  0.31680574  0.00656605
   0.40303982  0.46657390  0.33415468
   0.52354820  0.35095480  0.17972619
   0.24530728  0.40562564  0.18471719
   0.20217213  0.14540575  0.44758686
  -0.04728264  0.23197687  0.39324088
   0.00151189  0.05254458  0.54402444
   0.37483716  0.26081568  0.85451927
   0.04037425  0.30561702  0.57793747
   0.35778967  0.53103200  0.82108772
   0.50500937  0.35704104  0.69973086
   0.20962883  0.37419477  0.72120574
   0.22032270  0.07778735 -0.06693142
  -0.03684385  0.20759761  0.95748996
   0.24376774  0.57708243  0.02158469
   0.34690055  0.72773083  0.26692160
   0.15779038  0.84641339  0.04926438
   0.39224440  0.95244103  0.36699279
   0.45058072  0.93456801  0.17124516
   0.19504145  0.94281476  0.24014904
   0.29015378  0.64439696  0.44791306
   0.04115524  0.53842548  0.41013675
   0.30333050  0.35482631  0.54091112
   0.36706568  0.76231547  0.71064694
   0.06103831  0.79462799  0.48925106
   0.35391066  0.98783282  0.78011824
   0.52650768  0.92002208  0.61592492
   0.24381187  0.91269149  0.59020174
   0.24710700  0.75799274 -0.12091839
   0.00966564  0.68123076  0.95134000
   0.66584160  0.03827048  0.09164495
   0.81053047  0.20792382  0.23122502
   0.58509235  0.28147053  0.00338061
   0.86829944  0.45627515  0.27373872
   0.01337210  0.50326877  0.11644066
   0.74959677  0.45664233  0.09749736
   0.68765642  0.19833639  0.38754122
   0.46971083  0.15569190  0.47200910
   0.70087113  0.09102310  0.55315205
   0.89631616  0.26963298  0.78386295
   0.63364076  0.36014044  0.54475477
   0.93216022  0.51453939  0.80888108
   1.13532309  0.55808978  0.59014524
   0.78823891  0.45035921  0.65993384
   0.74318184  0.10535823  0.91336138
   0.48896602  0.04926509  0.95360889
   0.53168235  0.54478124  0.01903210
   0.90905815  0.70806267  0.30088068
   0.60630082  0.78650705  0.06055591
   0.85205141  0.97232261  0.35629669
   0.95096833  0.89453008  0.17507529
   0.69810841  0.85278349  0.23663904
   0.77617507  0.56599361  0.43280267
   0.55187673  0.67684197  0.37191809
   0.57841121  0.60976718  0.56099559
   0.82287674  0.76248794  0.80733361
   0.68122013  0.84763701  0.48418614
   0.94720426  0.99520032  0.83127135
   1.01138409  0.84522895  0.67402014
   0.76007776  0.95988169  0.70038662
   0.75740108  0.61223057  0.95326013
   0.51306282  0.74440555  0.87769137
   0.75945470  0.76383317  0.63578723
   0.79331655  1.10395327  0.58890073
   0.94276161  0.25733162  0.12326740
   0.98821724  1.09874281  0.12414408
   0.36397215  0.11148477  0.62590160
   0.37904473  0.30303380  0.56502393
   0.41961777  1.30200596 -0.09543349
  -0.23616577  1.54768063  0.01789922
   0.68530941  0.44284623  0.81657665
   0.58003945  0.57705051  0.72526999
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.778508    0.446280    0.172006
    -0.000000    9.744545    0.283675
    -0.000000    0.000000   13.825685
   Si   O    H 
    32    64    10
Direct configuration=  3691
   0.12520816  0.17228847 -0.00502687
   0.36012008  0.10966410  0.40008978
   0.17238305  0.44478816  0.08071389
   0.37838667  0.34620390  0.25110095
   0.05380643  0.20817302  0.48426229
   0.36292174  0.07650871  0.87231387
   0.16915501  0.39453173  0.60419784
   0.36644272  0.39077144  0.75977200
   0.16748744  0.71695284 -0.01971768
   0.39528217  0.62750451  0.35846174
   0.11212041  0.92500296  0.14510400
   0.34936293  0.89423041  0.26571107
   0.12938179  0.63441603  0.48389037
   0.37978066  0.69384291  0.81383753
   0.08126752  0.89361781  0.57306170
   0.37243187  0.94650248  0.66248153
   0.62603548  0.11982687  0.99042793
   0.83287533  0.14127009  0.33771901
   0.59264694  0.40834072  0.08242184
   0.89164336  0.39885663  0.16377334
   0.63538512  0.21090419  0.48952851
   0.89051003  0.15330708  0.86764145
   0.62230114  0.47906142  0.63397219
   0.81820271  0.42119983  0.77133529
   0.59017253  0.68565775 -0.03210551
   0.90058038  0.56364404  0.35714968
   0.61397288  0.90002649  0.14242960
   0.85254441  0.85526945  0.27135087
   0.64880960  0.68911576  0.46660915
   0.89506384  0.64944735  0.88084758
   0.68060544  0.88984042  0.60436290
   0.89571125  0.89155637  0.75169914
   0.10020488  0.09694920  0.10772159
   0.37234579  0.19591646  0.29438183
   0.19590305  0.31801756  0.00537823
   0.40127959  0.46639625  0.33355439
   0.52171799  0.35254248  0.18051226
   0.24561109  0.40526538  0.18455480
   0.20042670  0.14439836  0.44896778
  -0.04686609  0.23242417  0.39243219
  -0.00125351  0.05514084  0.54430377
   0.37420048  0.25931741  0.85396019
   0.04099769  0.30532973  0.57905412
   0.35972146  0.53083975  0.82196742
   0.50436704  0.35722333  0.69987274
   0.21050294  0.37456089  0.72152210
   0.22033066  0.07612687 -0.06556090
  -0.03448213  0.20715460  0.95751883
   0.24179062  0.57627905  0.02317515
   0.34691707  0.72784227  0.26789036
   0.16147419  0.84655970  0.04973014
   0.39258191  0.95060599  0.36724741
   0.44999729  0.93550686  0.17138884
   0.19572979  0.94197432  0.24170881
   0.29091655  0.64354693  0.44623664
   0.04122587  0.53822977  0.41026753
   0.30303918  0.35456187  0.54068963
   0.36713844  0.76166323  0.71124089
   0.06119308  0.79442241  0.48907484
   0.35435603  0.98743302  0.78069620
   0.52568790  0.92012670  0.61497478
   0.24269757  0.91088122  0.59071009
   0.24802257  0.75831141 -0.12080624
   0.00954838  0.68099484  0.95117289
   0.66669635  0.03871527  0.09099478
   0.80984317  0.20914918  0.23063965
   0.58494437  0.28067749  0.00382669
   0.86908165  0.45738927  0.27325191
   0.01627001  0.50245219  0.11458651
   0.74964231  0.45709717  0.09666466
   0.68742561  0.19909047  0.38779168
   0.47066340  0.15715421  0.47048926
   0.70408813  0.08969015  0.55137372
   0.89651407  0.26960692  0.78476938
   0.63348565  0.36199394  0.54476147
   0.93143091  0.51658837  0.80921809
   1.13373245  0.55835080  0.59055115
   0.78781217  0.44938823  0.66122487
   0.74402498  0.10637736  0.91292635
   0.48787295  0.04946144  0.95393007
   0.52866673  0.54734310  0.01988390
   0.90796024  0.70908759  0.30132349
   0.60644421  0.78663919  0.06094176
   0.84988740  0.97228697  0.35694490
   0.95048699  0.89501112  0.17498068
   0.69775275  0.85318289  0.23708434
   0.77566811  0.56651012  0.43209037
   0.55269097  0.67866545  0.37262582
   0.57692244  0.60999469  0.56113925
   0.82467135  0.76367523  0.80718792
   0.67943487  0.84753468  0.48305026
   0.94514407  0.99612696  0.83155842
   1.01202382  0.84496268  0.67425749
   0.75930517  0.96103799  0.70088056
   0.75706529  0.61431093  0.95306583
   0.51222655  0.74499821  0.87931289
   0.75983019  0.75709982  0.63690976
   0.74371753  1.11421759  0.59109472
   0.92876699  0.26327416  0.12396668
   1.00481254  1.11926495  0.12152352
   0.36710955  0.11471027  0.62502990
   0.38811450  0.30423435  0.56401565
   0.43268741  1.29509013 -0.09010036
  -0.23113645  1.54711147  0.01945136
   0.68591111  0.44542259  0.81869176
   0.57203454  0.57241602  0.72540569
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.779946    0.448586    0.172017
    -0.000000    9.746154    0.281794
    -0.000000    0.000000   13.824263
   Si   O    H 
    32    64    10
Direct configuration=  3692
   0.12386889  0.17295987 -0.00569440
   0.35823005  0.10802969  0.39941301
   0.17280081  0.44384087  0.08140406
   0.37872464  0.34746285  0.25130265
   0.05367210  0.20660847  0.48413003
   0.36243066  0.07633752  0.87235225
   0.17015464  0.39559483  0.60457920
   0.36561083  0.38994763  0.75932365
   0.16632862  0.71500052 -0.01984122
   0.39425758  0.62721502  0.35878064
   0.11221825  0.92379275  0.14607036
   0.34921709  0.89460075  0.26623830
   0.12800124  0.63399432  0.48367951
   0.38052020  0.69336049  0.81400142
   0.07970778  0.89276250  0.57339951
   0.37088069  0.94791756  0.66278267
   0.62705865  0.12170898  0.98969493
   0.83249410  0.14121509  0.33555489
   0.59299066  0.40809087  0.08210053
   0.89074234  0.39729402  0.16362206
   0.63419916  0.21101685  0.48967214
   0.89070066  0.15255436  0.86807509
   0.62142625  0.47951203  0.63501187
   0.81869780  0.42063800  0.77083935
   0.59012782  0.68523288 -0.03186449
   0.89952821  0.56447805  0.35685805
   0.61415970  0.90056267  0.14113269
   0.85252237  0.85666526  0.27186342
   0.64692343  0.68853454  0.46724909
   0.89520996  0.64886519  0.88100391
   0.68148938  0.88971339  0.60377671
   0.89639472  0.89256455  0.75240207
   0.09876374  0.09614057  0.10843918
   0.37259754  0.19500760  0.29389513
   0.19577289  0.31929054  0.00435803
   0.39984502  0.46523173  0.33268035
   0.51942408  0.35447218  0.18159502
   0.24605880  0.40462098  0.18473470
   0.19971181  0.14369996  0.44989763
  -0.04693681  0.23203593  0.39225656
  -0.00419727  0.05708287  0.54437758
   0.37357156  0.25779244  0.85348948
   0.04164308  0.30512577  0.57990307
   0.36207181  0.53000449  0.82276827
   0.50363433  0.35772848  0.69989262
   0.21184568  0.37562486  0.72166191
   0.22096014  0.07471962 -0.06495452
  -0.03163079  0.20620735  0.95799917
   0.24050731  0.57545267  0.02541650
   0.34719976  0.72733597  0.26861060
   0.16515055  0.84703147  0.05005842
   0.39202946  0.94821298  0.36813438
   0.44985786  0.93642366  0.17093684
   0.19590266  0.94114596  0.24311281
   0.29198391  0.64260039  0.44434289
   0.04154964  0.53799846  0.41041595
   0.30320577  0.35372427  0.53976525
   0.36774540  0.76068465  0.71094469
   0.06092100  0.79352707  0.48800271
   0.35428872  0.98662138  0.78075918
   0.52471951  0.92142390  0.61368251
   0.24123342  0.90897874  0.59091509
   0.24940918  0.75845516 -0.12018400
   0.00996305  0.68101523  0.95169681
   0.66746071  0.03942305  0.09064770
   0.80903232  0.21033675  0.23030168
   0.58421227  0.28043660  0.00405296
   0.87010734  0.45870842  0.27235409
   0.01939800  0.50176698  0.11280866
   0.75073608  0.45770644  0.09672367
   0.68769611  0.20005844  0.38691926
   0.47229435  0.15868841  0.46984423
   0.70450709  0.08612912  0.54752646
   0.89678400  0.26872993  0.78518814
   0.63352228  0.36260645  0.54513321
   0.93280507  0.51865764  0.80996519
   1.13166078  0.55984255  0.59061003
   0.78680962  0.44847199  0.66250846
   0.74477571  0.10791450  0.91203265
   0.48756601  0.04949591  0.95358926
   0.52634570  0.54943181  0.02051233
   0.90760540  0.70884775  0.30201242
   0.60639258  0.78647098  0.06066054
   0.84887223  0.97250948  0.35730815
   0.95017645  0.89523471  0.17460984
   0.69686223  0.85390544  0.23785432
   0.77538459  0.56664563  0.43160189
   0.55366874  0.68058254  0.37358443
   0.57624104  0.61058907  0.56121663
   0.82662708  0.76451656  0.80682704
   0.67695165  0.84787484  0.48194278
   0.94270232  0.99695240  0.83215843
   1.01247436  0.84449378  0.67518435
   0.75877838  0.96288325  0.70150593
   0.75624929  0.61592181  0.95280643
   0.51119633  0.74546173  0.88031625
   0.75637646  0.74956924  0.63751591
   0.75406501  1.15143946  0.64373349
   0.91508987  0.26913002  0.12745141
   1.00924185  1.13963366  0.12159872
   0.37109070  0.10880278  0.62682361
   0.39432297  0.30783778  0.56204895
   0.44003977  1.28333806 -0.08826658
  -0.22630931  1.54805106  0.01873793
   0.68487152  0.44331297  0.82345688
   0.56710406  0.56502655  0.72181014
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.781475    0.451383    0.171271
    -0.000000    9.747699    0.279966
    -0.000000    0.000000   13.822624
   Si   O    H 
    32    64    10
Direct configuration=  3693
   0.12227647  0.17373812 -0.00621787
   0.35642367  0.10724908  0.39868774
   0.17340644  0.44219436  0.08219519
   0.37875551  0.34898838  0.25123625
   0.05389668  0.20443956  0.48383322
   0.36193993  0.07621638  0.87221692
   0.17063736  0.39631480  0.60527862
   0.36579279  0.38908999  0.75925473
   0.16541315  0.71344065 -0.01999962
   0.39314213  0.62730216  0.35866442
   0.11206522  0.92239835  0.14699811
   0.34988652  0.89428211  0.26661480
   0.12708112  0.63377554  0.48389465
   0.38103967  0.69270000  0.81456888
   0.07799765  0.89276940  0.57369915
   0.36975230  0.94873473  0.66247090
   0.62772756  0.12310896  0.98911251
   0.83221006  0.14154655  0.33397730
   0.59339483  0.40809345  0.08194289
   0.89063153  0.39690468  0.16389858
   0.63242127  0.21160042  0.49033390
   0.89044423  0.15117913  0.86862993
   0.62035996  0.47985031  0.63577248
   0.81873813  0.41985417  0.77084408
   0.59031556  0.68410750 -0.03082219
   0.89837990  0.56454508  0.35684588
   0.61412135  0.90080568  0.14024013
   0.85190798  0.85874912  0.27209769
   0.64564371  0.68741676  0.46809155
   0.89501811  0.64863258  0.88048081
   0.68211674  0.88920753  0.60297466
   0.89610838  0.89338175  0.75253158
   0.09815117  0.09552055  0.10852274
   0.37303913  0.19391587  0.29356722
   0.19527007  0.32039883  0.00342505
   0.39837412  0.46376445  0.33186010
   0.51778158  0.35579102  0.18288547
   0.24659651  0.40323215  0.18505140
   0.19994774  0.14323894  0.45092593
  -0.04670925  0.23122165  0.39231113
  -0.00690540  0.05761672  0.54457262
   0.37307622  0.25636503  0.85347895
   0.04309367  0.30516155  0.58044875
   0.36442584  0.52886351  0.82383907
   0.50203561  0.35781023  0.69942988
   0.21247187  0.37582577  0.72174565
   0.22165940  0.07317906 -0.06502970
  -0.02890117  0.20527004  0.95829575
   0.24021149  0.57414069  0.02703592
   0.34736928  0.72705463  0.26890881
   0.16929582  0.84722860  0.05088133
   0.39164674  0.94672218  0.36908435
   0.45034973  0.93761037  0.17080330
   0.19577628  0.93942495  0.24533357
   0.29189328  0.64177044  0.44249671
   0.04296843  0.53841518  0.41008825
   0.30447163  0.35341861  0.53853762
   0.36849335  0.75942142  0.71011808
   0.06051689  0.79251233  0.48667843
   0.35505781  0.98681102  0.78046825
   0.52356227  0.92341259  0.61215809
   0.24003387  0.90760138  0.59103098
   0.25085371  0.75935911 -0.11928450
   0.01032533  0.68100754  0.95228285
   0.66903420  0.04039569  0.09032272
   0.80922329  0.21173811  0.22978313
   0.58348173  0.28054685  0.00447828
   0.87094131  0.46027289  0.27147741
   0.02221287  0.49991609  0.11175884
   0.75253467  0.45821090  0.09677730
   0.68833370  0.20071979  0.38586853
   0.47313084  0.16065722  0.46926669
   0.70531794  0.08245683  0.54490557
   0.89647446  0.26783638  0.78632670
   0.63335285  0.36238484  0.54494735
   0.93320240  0.52097580  0.81118576
   1.12995870  0.56149409  0.59058959
   0.78539720  0.44756249  0.66341367
   0.74626097  0.10904913  0.91110249
   0.48614802  0.05040838  0.95285710
   0.52408764  0.55059139  0.02095615
   0.90838756  0.70897940  0.30281981
   0.60702126  0.78489897  0.06057058
   0.84742156  0.97332541  0.35669799
   0.94942953  0.89505568  0.17477813
   0.69560378  0.85439456  0.23859596
   0.77484250  0.56688509  0.43110640
   0.55410459  0.68219269  0.37471421
   0.57563337  0.61207036  0.56130002
   0.82923331  0.76472606  0.80723053
   0.67546109  0.84778966  0.48109877
   0.94143875  0.99812161  0.83331769
   1.01274868  0.84391402  0.67659303
   0.75794358  0.96433670  0.70226330
   0.75551488  0.61715886  0.95306499
   0.51014499  0.74560936  0.88030611
   0.74813718  0.74480087  0.63686473
   0.76307455  1.17529689  0.68123993
   0.91013402  0.26402624  0.12592751
   1.00739843  1.15478945  0.12063839
   0.37196821  0.10243689  0.63274483
   0.39184805  0.31534606  0.55768353
   0.44277043  1.27247434 -0.09216350
  -0.22052577  1.54912047  0.01715675
   0.68536297  0.43620805  0.82935016
   0.56803454  0.55575398  0.71825669
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.782754    0.453992    0.171145
    -0.000000    9.749638    0.278372
    -0.000000    0.000000   13.821354
   Si   O    H 
    32    64    10
Direct configuration=  3694
   0.12086549  0.17468200 -0.00681498
   0.35443489  0.10656231  0.39808308
   0.17415000  0.44128442  0.08260041
   0.37901720  0.35011991  0.25099877
   0.05381266  0.20156421  0.48366219
   0.36147364  0.07546282  0.87219385
   0.17153247  0.39615202  0.60586479
   0.36536947  0.38873881  0.75931552
   0.16481704  0.71206941 -0.02016290
   0.39278384  0.62681504  0.35801758
   0.11144259  0.92177011  0.14749555
   0.35140789  0.89354358  0.26703867
   0.12594623  0.63368070  0.48376406
   0.38117743  0.69218855  0.81538023
   0.07642351  0.89302096  0.57397826
   0.36935179  0.94888611  0.66188213
   0.62802326  0.12431027  0.98865233
   0.83118335  0.14221904  0.33243212
   0.59364113  0.40833280  0.08194561
   0.89048131  0.39680393  0.16435384
   0.63056553  0.21193540  0.49111498
   0.88996737  0.15021403  0.86937352
   0.61983438  0.47992642  0.63624121
   0.81795779  0.41841068  0.77127203
   0.59026825  0.68319586 -0.02947925
   0.89763177  0.56462526  0.35724184
   0.61406491  0.90088307  0.13973648
   0.85132800  0.86079719  0.27182961
   0.64459632  0.68617997  0.46861909
   0.89488111  0.64801345  0.87946500
   0.68329974  0.88850656  0.60190159
   0.89549689  0.89373070  0.75273532
   0.09775792  0.09469653  0.10820361
   0.37259523  0.19251006  0.29311142
   0.19568924  0.32084271  0.00244254
   0.39650443  0.46240615  0.33162921
   0.51657383  0.35707932  0.18414913
   0.24764230  0.40156524  0.18532190
   0.20030501  0.14235574  0.45187922
  -0.04645986  0.23022980  0.39242718
  -0.00866785  0.05765918  0.54502922
   0.37296444  0.25479706  0.85366333
   0.04459205  0.30463470  0.58127490
   0.36619099  0.52818420  0.82413716
   0.50031874  0.35817897  0.69863868
   0.21314882  0.37622168  0.72166927
   0.22219307  0.07060350 -0.06531064
  -0.02601484  0.20451987  0.95845932
   0.23941572  0.57315233  0.02854975
   0.34689162  0.72654785  0.26936977
   0.17324563  0.84754664  0.05156932
   0.39068362  0.94495946  0.36997109
   0.45097649  0.93811245  0.17088488
   0.19495765  0.93793422  0.24730882
   0.29090362  0.64138190  0.44139051
   0.04408385  0.53836599  0.40944465
   0.30497977  0.35357016  0.53713532
   0.36957996  0.75813352  0.70928071
   0.05973676  0.79072343  0.48587826
   0.35575795  0.98654711  0.78057768
   0.52254585  0.92489067  0.61090862
   0.23930734  0.90548359  0.59097623
   0.25170344  0.75982277 -0.11847492
   0.01067055  0.68065892  0.95293693
   0.67040112  0.04126416  0.08956110
   0.80953575  0.21313789  0.22890441
   0.58196039  0.28070334  0.00525979
   0.87105739  0.46085316  0.27061552
   0.02491819  0.49853490  0.11113335
   0.75479465  0.45835826  0.09690801
   0.68950933  0.20133075  0.38412120
   0.47254524  0.16213288  0.46892010
   0.70626500  0.07924729  0.54295863
   0.89533703  0.26772235  0.78743013
   0.63290715  0.36188677  0.54501572
   0.93299819  0.52315754  0.81271395
   1.12846377  0.56325275  0.59060698
   0.78424282  0.44721925  0.66381699
   0.74771582  0.10893653  0.91012772
   0.48426276  0.05146643  0.95215249
   0.52163528  0.55072886  0.02208393
   0.90960471  0.70935492  0.30377862
   0.60697855  0.78474261  0.05976771
   0.84616440  0.97434343  0.35616440
   0.94910851  0.89401134  0.17512964
   0.69379868  0.85449617  0.23902452
   0.77475910  0.56711861  0.43108314
   0.55378206  0.68221505  0.37559772
   0.57559422  0.61300377  0.56164299
   0.83078807  0.76469871  0.80805842
   0.67398050  0.84780056  0.48056523
   0.94069184  0.99900623  0.83444606
   1.01238944  0.84328818  0.67797772
   0.75657610  0.96500139  0.70322782
   0.75565097  0.61801764  0.95329248
   0.50876412  0.74596928  0.88016564
   0.73829697  0.74620135  0.63534224
   0.77081088  1.19630658  0.71518792
   0.91525735  0.25400668  0.12064733
   1.00242183  1.16537038  0.12069674
   0.36918132  0.09558892  0.63768567
   0.39026403  0.32226126  0.55425692
   0.43800626  1.26549897 -0.09880005
  -0.22049543  1.54870823  0.01235410
   0.68673523  0.42807183  0.83335731
   0.57457256  0.55114217  0.71702801
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.784081    0.456084    0.171069
    -0.000000    9.751432    0.276797
    -0.000000    0.000000   13.820239
   Si   O    H 
    32    64    10
Direct configuration=  3695
   0.11951499  0.17516525 -0.00742868
   0.35277875  0.10637032  0.39777270
   0.17498209  0.44023387  0.08312194
   0.37922352  0.35134919  0.25075664
   0.05407020  0.19844606  0.48364139
   0.36126756  0.07546177  0.87196171
   0.17256624  0.39648196  0.60591810
   0.36505084  0.38850492  0.75948484
   0.16492040  0.71140305 -0.02020328
   0.39244655  0.62619421  0.35750495
   0.11097067  0.92121187  0.14786185
   0.35327684  0.89198270  0.26695252
   0.12543370  0.63346275  0.48338037
   0.38059636  0.69275059  0.81636295
   0.07431378  0.89435870  0.57424526
   0.36903341  0.94870340  0.66100402
   0.62752420  0.12489882  0.98804716
   0.82961913  0.14297034  0.33167465
   0.59360336  0.40824730  0.08233527
   0.88964754  0.39704974  0.16476012
   0.62899774  0.21193425  0.49202113
   0.89003779  0.14826184  0.87027196
   0.61922889  0.47940560  0.63699112
   0.81700286  0.41763689  0.77170827
   0.59031590  0.68184762 -0.02829842
   0.89686489  0.56524778  0.35755893
   0.61396444  0.90037280  0.13929591
   0.85060739  0.86230143  0.27154260
   0.64399847  0.68577292  0.46894316
   0.89503874  0.64729442  0.87837332
   0.68397603  0.88844933  0.60118258
   0.89450215  0.89483300  0.75276627
   0.09718901  0.09406027  0.10802474
   0.37151810  0.19137398  0.29239257
   0.19682081  0.32076562  0.00140253
   0.39401116  0.46184509  0.33147336
   0.51608870  0.35773511  0.18494266
   0.24890407  0.39979495  0.18587880
   0.20013341  0.14191214  0.45237302
  -0.04641183  0.22923735  0.39247892
  -0.01051209  0.05670439  0.54531045
   0.37243927  0.25359437  0.85356315
   0.04562519  0.30443307  0.58220335
   0.36830627  0.52732187  0.82486838
   0.49979121  0.35856550  0.69734012
   0.21381055  0.37646854  0.72217669
   0.22276183  0.06835553 -0.06556290
  -0.02452392  0.20318672  0.95885310
   0.23796112  0.57319471  0.03023328
   0.34604311  0.72661970  0.26937225
   0.17712814  0.84739224  0.05217102
   0.38942865  0.94357372  0.37095921
   0.45171602  0.93841765  0.17193731
   0.19302698  0.93669403  0.24889644
   0.28945854  0.64162936  0.44124896
   0.04528301  0.53867471  0.40882526
   0.30456132  0.35404552  0.53623269
   0.37041906  0.75716019  0.70879398
   0.05930555  0.78835929  0.48528690
   0.35629300  0.98607066  0.78057451
   0.52098441  0.92587643  0.61025508
   0.23794018  0.90361898  0.59060216
   0.25257701  0.75929311 -0.11718259
   0.00986046  0.68126032  0.95364668
   0.67270914  0.04200588  0.08907478
   0.80977791  0.21438441  0.22728433
   0.57934617  0.28116686  0.00596306
   0.87188921  0.46148493  0.27030800
   0.02707540  0.49737722  0.11134091
   0.75629218  0.45842911  0.09699130
   0.69092656  0.20141979  0.38201203
   0.47133072  0.16351791  0.46836296
   0.70782828  0.07648198  0.54149809
   0.89473374  0.26724444  0.78836923
   0.63220165  0.36082867  0.54511612
   0.93274693  0.52553579  0.81356948
   1.12691486  0.56362246  0.59019871
   0.78408031  0.44691884  0.66417943
   0.74847966  0.10818865  0.91001170
   0.48293977  0.05356279  0.95114280
   0.52010474  0.55056492  0.02323106
   0.91096557  0.70965667  0.30457637
   0.60693860  0.78460058  0.05884876
   0.84573665  0.97552314  0.35521881
   0.94970510  0.89350761  0.17550374
   0.69179730  0.85489303  0.23923204
   0.77399571  0.56867921  0.43165829
   0.55216094  0.68183377  0.37614771
   0.57553191  0.61393012  0.56191231
   0.83263192  0.76505839  0.80926777
   0.67304777  0.84696418  0.48083797
   0.94068872  0.99948574  0.83570264
   1.01247916  0.84261489  0.67939328
   0.75573348  0.96566124  0.70412116
   0.75652652  0.61945470  0.95320733
   0.50766864  0.74672513  0.88013586
   0.73062876  0.74833264  0.63316982
   0.77886863  1.21128456  0.74710450
   0.92391592  0.24743401  0.11539993
   1.00377914  1.17729856  0.12223071
   0.36617531  0.09481345  0.64039511
   0.40248890  0.32234646  0.55773068
   0.44051707  1.26629300 -0.09917955
  -0.22132457  1.55003863  0.00657322
   0.69119417  0.41878112  0.83629299
   0.58295980  0.55258598  0.72074458
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.785055    0.459162    0.171333
    -0.000000    9.753214    0.275113
    -0.000000    0.000000   13.819014
   Si   O    H 
    32    64    10
Direct configuration=  3696
   0.11914678  0.17552959 -0.00731328
   0.35169831  0.10637299  0.39707704
   0.17620270  0.43966131  0.08352975
   0.37962423  0.35272666  0.25019825
   0.05439090  0.19519217  0.48394011
   0.36123258  0.07531494  0.87190038
   0.17419515  0.39657293  0.60637269
   0.36540533  0.38824384  0.76031082
   0.16530052  0.71068901 -0.01986769
   0.39228905  0.62546003  0.35695420
   0.11094783  0.92100779  0.14793599
   0.35514186  0.89030883  0.26680245
   0.12516515  0.63379028  0.48247152
   0.37954115  0.69384197  0.81738122
   0.07230218  0.89652992  0.57441515
   0.36853701  0.94821682  0.66021086
   0.62673526  0.12495175  0.98733697
   0.82790401  0.14472490  0.33144673
   0.59351931  0.40787574  0.08298030
   0.88875880  0.39778551  0.16492918
   0.62772669  0.21226390  0.49312515
   0.89021279  0.14605383  0.87104672
   0.61893932  0.47884722  0.63724076
   0.81620974  0.41714858  0.77231081
   0.58986323  0.68041240 -0.02719398
   0.89636190  0.56576367  0.35719782
   0.61362138  0.90046200  0.13905344
   0.85002435  0.86355126  0.27146350
   0.64365080  0.68526196  0.46915777
   0.89531001  0.64752377  0.87731471
   0.68446157  0.88899890  0.59983971
   0.89367167  0.89554501  0.75304030
   0.09612861  0.09321091  0.10778378
   0.37110222  0.19045587  0.29227615
   0.19745495  0.32026878  0.00094122
   0.39274749  0.46200214  0.33178745
   0.51580165  0.35849802  0.18491298
   0.24983097  0.39767383  0.18647878
   0.20101825  0.14098809  0.45250325
  -0.04664400  0.22827666  0.39281905
  -0.01140337  0.05488944  0.54494541
   0.37137937  0.25238297  0.85311508
   0.04690202  0.30364591  0.58254044
   0.37065163  0.52642192  0.82576589
   0.49929623  0.35957855  0.69611227
   0.21430828  0.37679662  0.72240740
   0.22292622  0.06621855 -0.06526380
  -0.02428538  0.20253713  0.95848140
   0.23740519  0.57415351  0.03178364
   0.34512230  0.72623921  0.26896909
   0.18051382  0.84684454  0.05257187
   0.38772903  0.94281227  0.37154457
   0.45274044  0.93860890  0.17221518
   0.19139538  0.93511337  0.24981551
   0.28797870  0.64193365  0.44170041
   0.04726707  0.53905661  0.40817234
   0.30526900  0.35487572  0.53584638
   0.37088463  0.75596375  0.70784001
   0.05884124  0.78635277  0.48434150
   0.35645068  0.98539194  0.78107847
   0.51876387  0.92673374  0.61011126
   0.23665769  0.90148621  0.59046801
   0.25372987  0.75904297 -0.11540786
   0.00797259  0.68208890  0.95465986
   0.67476096  0.04314960  0.08853731
   0.81018361  0.21510548  0.22581490
   0.57689603  0.28143766  0.00698136
   0.87257578  0.46219554  0.27042719
   0.02847872  0.49587483  0.11160317
   0.75751460  0.45761645  0.09686959
   0.69243658  0.20139054  0.38013186
   0.46994272  0.16498621  0.46747919
   0.70902752  0.07483582  0.54036093
   0.89398893  0.26702967  0.78843028
   0.63170947  0.36008554  0.54447046
   0.93246506  0.52678202  0.81423924
   1.12559947  0.56387277  0.59008896
   0.78484758  0.44635390  0.66362337
   0.74849354  0.10814434  0.91013575
   0.48200190  0.05569848  0.95011112
   0.51896358  0.54961150  0.02420007
   0.91173545  0.70999957  0.30506436
   0.60686815  0.78509749  0.05809015
   0.84549126  0.97683877  0.35448482
   0.95103091  0.89284679  0.17595880
   0.68985513  0.85540682  0.23891738
   0.77318966  0.57029681  0.43264283
   0.55017367  0.68175375  0.37632832
   0.57588092  0.61462432  0.56203498
   0.83393702  0.76577916  0.81048375
   0.67243561  0.84446874  0.48132271
   0.94177204  0.99902196  0.83584150
   1.01227841  0.84252574  0.67994778
   0.75424459  0.96584166  0.70517291
   0.75639598  0.62034202  0.95291434
   0.50683195  0.74780126  0.88034719
   0.72417447  0.75129576  0.63310253
   0.78786532  1.22338358  0.77183141
   0.93189148  0.24757159  0.11159278
   1.01252837  1.18497858  0.12501738
   0.36254532  0.09595932  0.64293846
   0.40547447  0.32077940  0.55866913
   0.44774137  1.27059466 -0.09508439
  -0.22496601  1.55157882  0.00223434
   0.69645567  0.41460197  0.83600857
   0.58935970  0.55886726  0.72838748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.786552    0.461987    0.171651
    -0.000000    9.754789    0.273338
    -0.000000    0.000000   13.817764
   Si   O    H 
    32    64    10
Direct configuration=  3697
   0.11980325  0.17565146 -0.00676504
   0.35122430  0.10680670  0.39635434
   0.17750318  0.43922721  0.08397624
   0.38050602  0.35360537  0.24964174
   0.05438513  0.19232450  0.48458787
   0.36132359  0.07509451  0.87178926
   0.17542984  0.39703358  0.60678984
   0.36575228  0.38827321  0.76121834
   0.16606149  0.71084039 -0.01938316
   0.39301981  0.62410468  0.35661252
   0.11089326  0.92111152  0.14760586
   0.35700730  0.88820830  0.26623341
   0.12562322  0.63400202  0.48152533
   0.37869530  0.69486232  0.81809707
   0.07070066  0.89874811  0.57463804
   0.36826444  0.94662526  0.65971377
   0.62551010  0.12470740  0.98638088
   0.82645800  0.14666952  0.33164604
   0.59347806  0.40789179  0.08293781
   0.88807365  0.39854516  0.16500760
   0.62640795  0.21213659  0.49406124
   0.89120021  0.14326744  0.87151222
   0.61822779  0.47850450  0.63745712
   0.81616827  0.41756760  0.77277629
   0.58906761  0.67932319 -0.02629328
   0.89635600  0.56559155  0.35684920
   0.61306820  0.90027097  0.13897419
   0.84919336  0.86462148  0.27164220
   0.64367702  0.68485628  0.46917231
   0.89530223  0.64829531  0.87638639
   0.68472880  0.89049052  0.59840430
   0.89289391  0.89631443  0.75278751
   0.09557902  0.09268917  0.10691963
   0.37045003  0.18986057  0.29197007
   0.19801984  0.31965861  0.00029462
   0.39124984  0.46205804  0.33164574
   0.51554858  0.35960561  0.18386420
   0.25068392  0.39526513  0.18708961
   0.20214954  0.13994482  0.45200554
  -0.04736025  0.22739473  0.39342192
  -0.01157186  0.05308376  0.54423782
   0.37127980  0.25161910  0.85269790
   0.04788237  0.30319230  0.58260714
   0.37360281  0.52429682  0.82605588
   0.49928141  0.36027425  0.69462369
   0.21414237  0.37739840  0.72265284
   0.22195514  0.06485769 -0.06438754
  -0.02489875  0.20223388  0.95779368
   0.23655997  0.57564623  0.03260255
   0.34440481  0.72632639  0.26785532
   0.18369798  0.84580709  0.05338702
   0.38654050  0.94251193  0.37236654
   0.45363151  0.93906774  0.17221095
   0.19028204  0.93323011  0.25061736
   0.28640636  0.64207376  0.44260001
   0.04849866  0.53961805  0.40747874
   0.30678356  0.35620952  0.53600477
   0.37129686  0.75482349  0.70652620
   0.05856481  0.78465550  0.48424034
   0.35698497  0.98386795  0.78182864
   0.51648980  0.92700824  0.61043430
   0.23530000  0.90073144  0.59024543
   0.25440492  0.75929325 -0.11304153
   0.00616748  0.68355479  0.95572717
   0.67656033  0.04476463  0.08808885
   0.80997741  0.21608696  0.22425581
   0.57516432  0.28245496  0.00818334
   0.87380797  0.46205620  0.27056734
   0.02911694  0.49396557  0.11231409
   0.75797764  0.45715113  0.09659845
   0.69273048  0.20131232  0.37827648
   0.46794777  0.16570447  0.46686415
   0.71021366  0.07393810  0.53955449
   0.89267538  0.26641426  0.78816936
   0.63116518  0.35906126  0.54429962
   0.93210370  0.52709617  0.81462856
   1.12430162  0.56333537  0.59038818
   0.78472255  0.44603452  0.66296971
   0.74761498  0.10795447  0.91005589
   0.48192254  0.05792188  0.94894113
   0.51844409  0.54884719  0.02549065
   0.91135669  0.71123974  0.30518837
   0.60778215  0.78555071  0.05717558
   0.84534638  0.97891136  0.35390052
   0.95241550  0.89139045  0.17634668
   0.68820903  0.85603496  0.23792842
   0.77205791  0.57269013  0.43386122
   0.54765781  0.68149749  0.37593089
   0.57584035  0.61510928  0.56222402
   0.83531045  0.76617940  0.81191606
   0.67174323  0.84184732  0.48114491
   0.94395224  0.99905090  0.83625973
   1.01270370  0.84246177  0.68133415
   0.75303457  0.96539727  0.70606025
   0.75552274  0.62107049  0.95282875
   0.50643051  0.74812246  0.88177947
   0.72186257  0.75302139  0.63505688
   0.80614845  1.23436358  0.78799324
   0.93921953  0.25774978  0.11084057
   1.02038369  1.19145275  0.12685834
   0.35686619  0.10014772  0.64364088
   0.39108274  0.31864074  0.55765104
   0.44441124  1.27443152 -0.09741553
  -0.22409633  1.54412702  0.00359749
   0.70331043  0.41302152  0.83906091
   0.58963306  0.56776447  0.73466638
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788431    0.464709    0.172067
    -0.000000    9.756200    0.271833
    -0.000000    0.000000   13.816563
   Si   O    H 
    32    64    10
Direct configuration=  3698
   0.12082758  0.17566881 -0.00585375
   0.35078593  0.10657323  0.39604810
   0.17884707  0.43862739  0.08405445
   0.38127524  0.35454887  0.24928926
   0.05362890  0.18910522  0.48567138
   0.36124992  0.07523594  0.87159160
   0.17656713  0.39776198  0.60707120
   0.36639212  0.38834771  0.76205657
   0.16673119  0.71124905 -0.01887919
   0.39430089  0.62284182  0.35619115
   0.11073470  0.92081912  0.14707436
   0.35865271  0.88642505  0.26594336
   0.12739058  0.63460071  0.48080310
   0.37794380  0.69610347  0.81849451
   0.06961150  0.90021386  0.57500328
   0.36793967  0.94588924  0.65936806
   0.62437950  0.12495236  0.98553402
   0.82596270  0.14871631  0.33178843
   0.59342396  0.40807506  0.08303742
   0.88764706  0.39887542  0.16497423
   0.62559147  0.21107431  0.49426701
   0.89272047  0.14011123  0.87235990
   0.61759265  0.47786898  0.63727141
   0.81706166  0.41909023  0.77309163
   0.58799314  0.67881361 -0.02539469
   0.89682326  0.56485310  0.35644831
   0.61216452  0.89949806  0.13899419
   0.84817922  0.86502118  0.27192088
   0.64386473  0.68489884  0.46904068
   0.89478200  0.64895074  0.87626302
   0.68441371  0.89248385  0.59693243
   0.89209739  0.89670054  0.75243781
   0.09450704  0.09216808  0.10611039
   0.36938567  0.19062602  0.29190520
   0.19831750  0.31902390 -0.00046045
   0.38955542  0.46255427  0.33143782
   0.51540329  0.36147179  0.18254508
   0.25190326  0.39316849  0.18706609
   0.20376866  0.13842592  0.45121850
  -0.04729222  0.22702315  0.39402115
  -0.01158156  0.05052602  0.54341628
   0.37180728  0.25171306  0.85202449
   0.04925508  0.30241125  0.58202223
   0.37638497  0.52257747  0.82647570
   0.49863401  0.36107161  0.69343668
   0.21354202  0.37795718  0.72289190
   0.22111496  0.06394803 -0.06392360
  -0.02647535  0.20212945  0.95662108
   0.23638205  0.57644687  0.03296411
   0.34490018  0.72613572  0.26647284
   0.18574627  0.84490962  0.05392804
   0.38489275  0.94267875  0.37275281
   0.45468663  0.93939447  0.17330670
   0.18922221  0.93147494  0.25078417
   0.28533319  0.64191667  0.44393237
   0.04957211  0.53993724  0.40720080
   0.30770122  0.35763204  0.53602477
   0.37098481  0.75298999  0.70569409
   0.05781092  0.78391532  0.48384461
   0.35626130  0.98260103  0.78182449
   0.51595906  0.92670923  0.61114912
   0.23382461  0.89986425  0.59001705
   0.25419537  0.75877214 -0.11057547
   0.00452210  0.68568282  0.95718510
   0.67864420  0.04549303  0.08751533
   0.81001239  0.21655839  0.22201398
   0.57325427  0.28366019  0.01015658
   0.87552613  0.46180006  0.27046420
   0.02914083  0.49210328  0.11338660
   0.75772964  0.45655408  0.09646660
   0.69217483  0.20183334  0.37766010
   0.46586111  0.16695103  0.46646095
   0.71116589  0.07299265  0.53912060
   0.89326345  0.26624166  0.78809154
   0.63021811  0.35730233  0.54407148
   0.93244260  0.52631008  0.81426773
   1.12385928  0.56226400  0.59040330
   0.78409944  0.44536173  0.66283869
   0.74545307  0.10709110  0.90981360
   0.48208393  0.06023691  0.94823790
   0.51900882  0.54801931  0.02690666
   0.91184707  0.71312724  0.30491335
   0.60889237  0.78618962  0.05702610
   0.84519145  0.98093624  0.35353052
   0.95331251  0.88998553  0.17642571
   0.68709769  0.85686122  0.23650436
   0.77113022  0.57506054  0.43544336
   0.54465689  0.68053058  0.37552092
   0.57572343  0.61555145  0.56217493
   0.83763001  0.76690515  0.81314768
   0.67110774  0.84007923  0.48067228
   0.94661199  0.99905281  0.83599771
   1.01236568  0.84164849  0.68310849
   0.75226096  0.96441630  0.70695578
   0.75505878  0.62146939  0.95306711
   0.50682749  0.74810124  0.88333109
   0.72182664  0.75083853  0.63792729
   0.79256134  1.23323188  0.79309990
   0.94464940  0.26931969  0.11254457
   1.02555881  1.19465157  0.13428445
   0.35222861  0.10482016  0.64212711
   0.38512079  0.31432836  0.55828158
   0.43474415  1.27635560 -0.10143512
  -0.22161983  1.54102856  0.00695707
   0.70531073  0.40923941  0.84463119
   0.59099580  0.57315445  0.73519810
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789899    0.467876    0.172395
    -0.000000    9.757647    0.270201
    -0.000000    0.000000   13.815971
   Si   O    H 
    32    64    10
Direct configuration=  3699
   0.12228997  0.17490094 -0.00429315
   0.35029268  0.10635672  0.39630024
   0.17998016  0.43844010  0.08468801
   0.38222524  0.35453461  0.24943972
   0.05316967  0.18553376  0.48697704
   0.36169975  0.07497335  0.87146830
   0.17774512  0.39857789  0.60743414
   0.36745829  0.38728571  0.76258331
   0.16729168  0.71144807 -0.01847870
   0.39508044  0.62161292  0.35575268
   0.11103609  0.92070964  0.14636294
   0.36028520  0.88536329  0.26570892
   0.12869824  0.63505000  0.48012215
   0.37756287  0.69714778  0.81891638
   0.06895213  0.90151603  0.57492675
   0.36726787  0.94463119  0.65897923
   0.62286187  0.12518400  0.98527730
   0.82587461  0.15129112  0.33207021
   0.59345057  0.40793840  0.08312427
   0.88745268  0.39834409  0.16504716
   0.62496031  0.21003222  0.49421771
   0.89397941  0.13733667  0.87372272
   0.61645647  0.47699852  0.63702350
   0.81829745  0.42163140  0.77317805
   0.58707891  0.67830565 -0.02497743
   0.89735975  0.56444390  0.35606805
   0.61081151  0.89875677  0.13859773
   0.84728891  0.86531317  0.27216064
   0.64438255  0.68465602  0.46906507
   0.89429068  0.64996282  0.87638038
   0.68331945  0.89461237  0.59589509
   0.89066802  0.89679092  0.75204121
   0.09436761  0.09272217  0.10470545
   0.36773332  0.19140588  0.29142246
   0.19832714  0.31880776 -0.00055323
   0.38717651  0.46270623  0.33161729
   0.51512821  0.36385310  0.18038627
   0.25285520  0.39027884  0.18562241
   0.20509572  0.13704619  0.45059047
  -0.04648718  0.22667320  0.39440288
  -0.01172502  0.04735393  0.54345360
   0.37150460  0.25125282  0.85136691
   0.05078279  0.30014372  0.58103595
   0.37959509  0.52076487  0.82698961
   0.49826714  0.36134925  0.69244717
   0.21281185  0.37859264  0.72309025
   0.22104780  0.06367529 -0.06376219
  -0.02691336  0.20226868  0.95535755
   0.23656667  0.57677332  0.03323332
   0.34533785  0.72496928  0.26487246
   0.18837275  0.84456098  0.05435047
   0.38335674  0.94343633  0.37320275
   0.45556268  0.93973813  0.17470966
   0.18891916  0.92904647  0.25087890
   0.28419148  0.64195279  0.44534308
   0.05034205  0.53978126  0.40670826
   0.30826786  0.35984721  0.53599086
   0.37068983  0.75068256  0.70498515
   0.05660055  0.78413368  0.48382893
   0.35619097  0.98110183  0.78254785
   0.51564624  0.92586206  0.61199103
   0.23242651  0.89864599  0.58989660
   0.25370694  0.75848104 -0.10908052
   0.00347774  0.68832203  0.95810292
   0.68044408  0.04547072  0.08666733
   0.81024344  0.21684158  0.21985746
   0.57233039  0.28511551  0.01116315
   0.87741908  0.46196153  0.26952708
   0.02753375  0.49073268  0.11418523
   0.75631504  0.45491912  0.09636444
   0.69172276  0.20257320  0.37766401
   0.46348934  0.16823486  0.46569117
   0.71141239  0.07214164  0.53895176
   0.89317503  0.26593573  0.78825071
   0.62980701  0.35585117  0.54359723
   0.93290214  0.52526796  0.81391122
   1.12385966  0.56046438  0.59028170
   0.78326201  0.44402590  0.66317492
   0.74380969  0.10646798  0.90923169
   0.48314114  0.06270189  0.94766461
   0.51950736  0.54704299  0.02796164
   0.91132159  0.71380232  0.30489579
   0.60998873  0.78723587  0.05730648
   0.84500624  0.98285300  0.35264930
   0.95347030  0.88863717  0.17631898
   0.68617288  0.85781346  0.23480789
   0.76989783  0.57653271  0.43662208
   0.54208243  0.67972114  0.37568631
   0.57438778  0.61505588  0.56239870
   0.83907841  0.76833355  0.81395924
   0.67149950  0.83913563  0.47991269
   0.95026672  0.99947123  0.83561555
   1.01234163  0.84143049  0.68436735
   0.75171162  0.96280013  0.70800686
   0.75461823  0.62154057  0.95372574
   0.50756649  0.74773329  0.88489446
   0.72509841  0.74904999  0.64168923
   0.77735256  1.23423591  0.78996269
   0.95490577  0.28107612  0.11784858
   1.03297413  1.19530978  0.14103604
   0.34135867  0.10782327  0.64196765
   0.39417241  0.29793397  0.56360877
   0.43336941  1.28231474 -0.09922748
  -0.22078286  1.54362876  0.01127740
   0.70513809  0.40437563  0.84935576
   0.59042428  0.57588299  0.73082819
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791403    0.470364    0.173059
    -0.000000    9.758868    0.267930
    -0.000000    0.000000   13.815462
   Si   O    H 
    32    64    10
Direct configuration=  3700
   0.12416409  0.17367774 -0.00299994
   0.35004892  0.10608177  0.39638358
   0.18110297  0.43806000  0.08542631
   0.38256165  0.35402308  0.24946687
   0.05213761  0.18247476  0.48805722
   0.36213491  0.07401493  0.87179658
   0.17869890  0.39852718  0.60798288
   0.36790164  0.38648731  0.76339858
   0.16754153  0.71181721 -0.01805166
   0.39573408  0.62101054  0.35560988
   0.11108147  0.92078116  0.14589348
   0.36178472  0.88450002  0.26546328
   0.13022849  0.63501893  0.47886451
   0.37738605  0.69799998  0.81917548
   0.06850851  0.90237733  0.57501014
   0.36680305  0.94367343  0.65865683
   0.62138222  0.12554127  0.98500757
   0.82636004  0.15381131  0.33252075
   0.59256407  0.40735490  0.08361956
   0.88698629  0.39783178  0.16541556
   0.62469314  0.20837646  0.49439010
   0.89573808  0.13485804  0.87513883
   0.61534047  0.47632168  0.63731056
   0.81968997  0.42403741  0.77309618
   0.58607150  0.67831717 -0.02476398
   0.89770066  0.56464720  0.35590328
   0.60983155  0.89938820  0.13856911
   0.84676111  0.86541006  0.27213200
   0.64501850  0.68346277  0.46882871
   0.89300726  0.65075976  0.87696011
   0.68210221  0.89676347  0.59500166
   0.88936897  0.89714474  0.75217113
   0.09438884  0.09426325  0.10339666
   0.36585076  0.19283482  0.29089016
   0.19960803  0.31874981 -0.00070342
   0.38431002  0.46312283  0.33223453
   0.51528922  0.36547005  0.17888983
   0.25299274  0.38795589  0.18366744
   0.20683534  0.13636058  0.45002237
  -0.04495903  0.22570273  0.39473012
  -0.01183013  0.04436621  0.54367291
   0.37137562  0.25154474  0.85040188
   0.05231856  0.29829122  0.58000631
   0.38207825  0.51854095  0.82694191
   0.49764444  0.36276708  0.69160842
   0.21158590  0.37905692  0.72314285
   0.22056760  0.06402100 -0.06357341
  -0.02713724  0.20369967  0.95476362
   0.23647029  0.57658429  0.03329150
   0.34538651  0.72352361  0.26327403
   0.19086526  0.84435845  0.05496018
   0.38228948  0.94421703  0.37309162
   0.45611808  0.94034885  0.17593209
   0.18926989  0.92667525  0.25070166
   0.28323261  0.64263660  0.44680885
   0.05090307  0.53917012  0.40658855
   0.30890583  0.36234792  0.53653962
   0.37100048  0.74893034  0.70464454
   0.05521140  0.78508934  0.48399385
   0.35595527  0.97961431  0.78325820
   0.51543765  0.92520569  0.61223356
   0.23061872  0.89808860  0.58944474
   0.25386588  0.75802879 -0.10844412
   0.00274672  0.68989107  0.95860454
   0.68144960  0.04475284  0.08620408
   0.81039563  0.21777201  0.21747211
   0.57188736  0.28630868  0.01189630
   0.87891993  0.46153817  0.26902689
   0.02540555  0.48940300  0.11497797
   0.75452607  0.45255313  0.09567925
   0.68973614  0.20368036  0.37836756
   0.46211748  0.16966835  0.46532090
   0.71169462  0.07182403  0.53895383
   0.89199392  0.26466448  0.78898908
   0.62939313  0.35420386  0.54318179
   0.93330647  0.52392784  0.81332173
   1.12259093  0.55897799  0.59014420
   0.78331707  0.44244781  0.66371630
   0.74217578  0.10659105  0.90882761
   0.48396679  0.06430343  0.94695389
   0.51980240  0.54596667  0.02902980
   0.91176287  0.71550311  0.30427858
   0.61050988  0.78828314  0.05733881
   0.84450720  0.98501775  0.35157352
   0.95385988  0.88752723  0.17590858
   0.68536470  0.85839152  0.23359981
   0.76881922  0.57735462  0.43827682
   0.53989439  0.67916183  0.37612296
   0.57327835  0.61498904  0.56233984
   0.83894495  0.76921768  0.81462974
   0.67204229  0.83920844  0.47905062
   0.95412411  0.99892777  0.83474317
   1.01248192  0.84109209  0.68451296
   0.75108503  0.96160713  0.70839525
   0.75380011  0.62147718  0.95477524
   0.50843886  0.74728857  0.88679659
   0.72985015  0.75099841  0.64146120
   0.77060812  1.23777814  0.78030939
   0.96531594  0.28800922  0.12018835
   1.04111736  1.19062217  0.14546104
   0.33383912  0.10742036  0.64194161
   0.39349699  0.29190427  0.56556419
   0.43407486  1.28865627 -0.09583895
  -0.22186587  1.54788306  0.01241333
   0.70705265  0.39905386  0.85140680
   0.58905656  0.57926677  0.72193473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.792897    0.472596    0.173231
    -0.000000    9.759900    0.265930
    -0.000000    0.000000   13.815271
   Si   O    H 
    32    64    10
Direct configuration=  3701
   0.12595211  0.17257181 -0.00182408
   0.34974721  0.10643480  0.39679395
   0.18212408  0.43767753  0.08602766
   0.38299097  0.35274790  0.24988206
   0.05103553  0.17978513  0.48892357
   0.36257685  0.07293310  0.87242191
   0.17927894  0.39830784  0.60804173
   0.36802247  0.38563749  0.76345779
   0.16770082  0.71232516 -0.01742761
   0.39587220  0.62048045  0.35581389
   0.11143447  0.92063877  0.14578747
   0.36319712  0.88381448  0.26543788
   0.13167574  0.63450329  0.47797742
   0.37702877  0.69869655  0.81944404
   0.06871179  0.90291311  0.57505068
   0.36593259  0.94295796  0.65883988
   0.62025191  0.12533200  0.98497652
   0.82714922  0.15599899  0.33261586
   0.59207516  0.40716307  0.08416703
   0.88636738  0.39694871  0.16564166
   0.62433724  0.20619197  0.49461561
   0.89640684  0.13268620  0.87657060
   0.61433342  0.47555643  0.63731697
   0.82080593  0.42714989  0.77321239
   0.58583984  0.67821573 -0.02445276
   0.89778697  0.56495112  0.35617810
   0.60887320  0.90008156  0.13851883
   0.84686846  0.86577357  0.27221462
   0.64546176  0.68221395  0.46855557
   0.89222706  0.65059135  0.87785375
   0.68095985  0.89917506  0.59443620
   0.88839193  0.89742135  0.75244672
   0.09430592  0.09533690  0.10187929
   0.36447473  0.19500639  0.29091333
   0.20023214  0.31817665 -0.00076924
   0.38095895  0.46324126  0.33266125
   0.51541989  0.36719851  0.17809696
   0.25342073  0.38636498  0.18157800
   0.20898615  0.13498857  0.44934876
  -0.04357030  0.22457913  0.39460688
  -0.01204103  0.04076298  0.54464918
   0.37187507  0.25301243  0.84948813
   0.05368557  0.29660434  0.57898740
   0.38369737  0.51705471  0.82744033
   0.49812284  0.36392293  0.69101266
   0.21139911  0.37977330  0.72299522
   0.22040604  0.06471340 -0.06335263
  -0.02667095  0.20487935  0.95448647
   0.23700512  0.57626120  0.03324521
   0.34512756  0.72165258  0.26167843
   0.19283133  0.84396530  0.05590595
   0.38160740  0.94504809  0.37325900
   0.45709543  0.94038084  0.17762466
   0.19030328  0.92398963  0.24968139
   0.28227918  0.64264316  0.44797000
   0.05106740  0.53879185  0.40713688
   0.31051187  0.36318671  0.53792631
   0.37068985  0.74723827  0.70451814
   0.05379597  0.78621484  0.48411642
   0.35661034  0.97749515  0.78396810
   0.51510440  0.92448664  0.61243510
   0.22908867  0.89786241  0.58905798
   0.25448850  0.75751920 -0.10856436
   0.00271194  0.69053874  0.95926306
   0.68253475  0.04433732  0.08540926
   0.81111503  0.21885947  0.21538343
   0.57169757  0.28651503  0.01229498
   0.87980120  0.46102382  0.26885920
   0.02334403  0.48836278  0.11585936
   0.75289134  0.45050790  0.09471800
   0.68684500  0.20474504  0.38028963
   0.46138679  0.17117337  0.46457791
   0.71145147  0.07192805  0.53913753
   0.88994678  0.26311153  0.78964310
   0.62911543  0.35205173  0.54267045
   0.93463926  0.52207439  0.81249261
   1.12164249  0.55669334  0.58909735
   0.78391729  0.44112603  0.66418434
   0.74118172  0.10622237  0.90898575
   0.48453466  0.06573669  0.94686867
   0.52039772  0.54516172  0.02992642
   0.91166669  0.71772519  0.30362656
   0.61138526  0.78931348  0.05691824
   0.84448633  0.98683004  0.35027249
   0.95387100  0.88695233  0.17567467
   0.68447779  0.85813399  0.23255033
   0.76806760  0.57808972  0.43945576
   0.53827594  0.67848111  0.37634733
   0.57260592  0.61510115  0.56201439
   0.83766912  0.76999694  0.81571669
   0.67211430  0.83990738  0.47830855
   0.95704557  0.99782931  0.83316929
   1.01241617  0.84124239  0.68314790
   0.75004444  0.96025881  0.70924058
   0.75283200  0.62111973  0.95565466
   0.50897735  0.74651415  0.88830677
   0.73315175  0.75496193  0.64073777
   0.77524189  1.24482984  0.76969118
   0.98243007  0.28522321  0.12199952
   1.04550346  1.18008173  0.14716931
   0.33041355  0.10097884  0.64009731
   0.38145777  0.29440109  0.56229862
   0.42774089  1.29156927 -0.09353176
  -0.22420999  1.55264409  0.01245740
   0.71529564  0.39431221  0.84732376
   0.59085071  0.57731343  0.71227618
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794292    0.475475    0.173621
    -0.000000    9.760931    0.264099
    -0.000000    0.000000   13.815514
   Si   O    H 
    32    64    10
Direct configuration=  3702
   0.12745346  0.17175430 -0.00096203
   0.34989525  0.10740669  0.39739741
   0.18218392  0.43777187  0.08655477
   0.38300610  0.35157537  0.25029112
   0.05010355  0.17738427  0.48922940
   0.36245076  0.07221571  0.87309485
   0.17931263  0.39916613  0.60785374
   0.36780730  0.38493370  0.76316143
   0.16756944  0.71315752 -0.01704880
   0.39498990  0.62067799  0.35577110
   0.11206268  0.92033719  0.14607889
   0.36349245  0.88318366  0.26571950
   0.13258592  0.63420200  0.47734979
   0.37643778  0.69931305  0.81930188
   0.06883595  0.90272572  0.57489450
   0.36417608  0.94231914  0.65908676
   0.61925539  0.12546106  0.98564186
   0.82750390  0.15821424  0.33202790
   0.59226361  0.40694763  0.08471942
   0.88489715  0.39590482  0.16593772
   0.62388857  0.20399266  0.49493927
   0.89704556  0.13050265  0.87781345
   0.61288894  0.47501787  0.63706160
   0.82217005  0.42965653  0.77333111
   0.58562441  0.67826638 -0.02457237
   0.89787853  0.56570506  0.35650678
   0.60832124  0.90148923  0.13793502
   0.84769129  0.86569508  0.27201328
   0.64594686  0.68065475  0.46874465
   0.89126587  0.65015423  0.87852437
   0.67916442  0.90159343  0.59383438
   0.88712804  0.89723329  0.75265772
   0.09392227  0.09584659  0.10119810
   0.36240049  0.19739514  0.29091635
   0.20096107  0.31742845 -0.00043887
   0.37812009  0.46349836  0.33354618
   0.51566816  0.36874908  0.17794637
   0.25331442  0.38393694  0.17986873
   0.20986156  0.13399248  0.44892597
  -0.04272531  0.22355100  0.39423761
  -0.01205039  0.03712857  0.54536290
   0.37290280  0.25435572  0.84912372
   0.05479363  0.29558988  0.57748938
   0.38477718  0.51596557  0.82825828
   0.49874781  0.36596408  0.69108082
   0.21200745  0.38069674  0.72312650
   0.22022300  0.06480636 -0.06352322
  -0.02598773  0.20526275  0.95442488
   0.23670912  0.57552525  0.03307387
   0.34528902  0.71941359  0.25981513
   0.19430383  0.84401798  0.05704321
   0.38074199  0.94517144  0.37329312
   0.45785940  0.94117620  0.17887421
   0.19229003  0.92151398  0.24848598
   0.28326100  0.64288328  0.44849820
   0.05074263  0.53909384  0.40752624
   0.31296472  0.36250426  0.53964372
   0.37049221  0.74526901  0.70471137
   0.05246881  0.78775196  0.48489903
   0.35681156  0.97562575  0.78512910
   0.51443191  0.92359386  0.61330353
   0.22780515  0.89752157  0.58906166
   0.25535587  0.75592374 -0.10856040
   0.00340384  0.69104921  0.96031841
   0.68282643  0.04262570  0.08505573
   0.81243210  0.21996339  0.21345547
   0.57151947  0.28618432  0.01199784
   0.87937527  0.46068968  0.26918318
   0.02163719  0.48700362  0.11684773
   0.75200627  0.44860289  0.09360904
   0.68406785  0.20522901  0.38225591
   0.46100223  0.17191609  0.46417264
   0.71110421  0.07205407  0.53928884
   0.88717677  0.26105166  0.78980310
   0.62977664  0.35034624  0.54216579
   0.93658483  0.52076715  0.81216637
   1.12054823  0.55484900  0.58800094
   0.78476148  0.43917582  0.66450916
   0.74150029  0.10598761  0.90893130
   0.48472436  0.06623893  0.94662420
   0.52159214  0.54526052  0.03085869
   0.91103416  0.72084728  0.30305111
   0.61249145  0.78929127  0.05702073
   0.84551327  0.98918570  0.34880807
   0.95493263  0.88616260  0.17484557
   0.68544066  0.85780780  0.23185120
   0.76913060  0.57854799  0.44048638
   0.53701010  0.67768207  0.37659572
   0.57148946  0.61433763  0.56195558
   0.83632362  0.76986330  0.81658748
   0.67221596  0.83983724  0.47786852
   0.96030655  0.99691523  0.83149303
   1.01215094  0.84211878  0.68191430
   0.74891238  0.95883629  0.70968682
   0.75183595  0.62127259  0.95679811
   0.50968094  0.74551102  0.88966309
   0.73675246  0.76138980  0.63614143
   0.79325423  1.25223350  0.76041097
   0.99753618  0.28445297  0.12579920
   1.04971323  1.16388529  0.14986454
   0.32752718  0.09315053  0.63810896
   0.36863849  0.30225640  0.55718434
   0.41824640  1.29065598 -0.09472881
  -0.22460808  1.55866249  0.01442462
   0.71718921  0.39404661  0.84270441
   0.58998065  0.57593048  0.70687190
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.795910    0.479050    0.173535
    -0.000000    9.762044    0.262480
    -0.000000    0.000000   13.816115
   Si   O    H 
    32    64    10
Direct configuration=  3703
   0.12924464  0.17136320 -0.00045318
   0.35012533  0.10885617  0.39831303
   0.18212358  0.43802645  0.08671137
   0.38222429  0.35071686  0.25054517
   0.04947191  0.17507154  0.48962576
   0.36223116  0.07191320  0.87369412
   0.17941794  0.40031671  0.60729281
   0.36758788  0.38430717  0.76263181
   0.16763297  0.71369153 -0.01660561
   0.39435328  0.62117570  0.35515428
   0.11235252  0.91973898  0.14627620
   0.36314519  0.88226744  0.26549907
   0.13308033  0.63324902  0.47723675
   0.37570704  0.69993670  0.81873467
   0.06904887  0.90157927  0.57471113
   0.36179891  0.94180616  0.65935526
   0.61815439  0.12524416  0.98590142
   0.82785823  0.16036555  0.33097525
   0.59285694  0.40676181  0.08547906
   0.88397372  0.39451867  0.16672159
   0.62361865  0.20175060  0.49560772
   0.89703502  0.12907146  0.87868950
   0.61181052  0.47498013  0.63605202
   0.82336406  0.43205083  0.77407688
   0.58543309  0.67861450 -0.02458570
   0.89806314  0.56634535  0.35675350
   0.60811571  0.90250088  0.13707590
   0.84885410  0.86602946  0.27155375
   0.64581082  0.68032143  0.46916937
   0.89066618  0.65028761  0.87923312
   0.67766383  0.90369208  0.59298129
   0.88655583  0.89726238  0.75261248
   0.09404648  0.09670888  0.10066849
   0.35993243  0.19930430  0.29092891
   0.20227810  0.31749417 -0.00003774
   0.37540501  0.46316123  0.33441554
   0.51655206  0.36926313  0.17846381
   0.25334022  0.38208847  0.17841736
   0.20988373  0.13302563  0.44832219
  -0.04175756  0.22289060  0.39385203
  -0.01227611  0.03474801  0.54552933
   0.37432478  0.25570815  0.84847766
   0.05585491  0.29511373  0.57607351
   0.38585544  0.51592618  0.82925377
   0.49962194  0.36764282  0.69103263
   0.21254769  0.38221111  0.72317717
   0.22029008  0.06556166 -0.06410398
  -0.02425161  0.20519897  0.95465355
   0.23605698  0.57516120  0.03267416
   0.34581117  0.71658932  0.25865519
   0.19526411  0.84438290  0.05825831
   0.38052527  0.94516810  0.37323861
   0.45858920  0.94178496  0.17983748
   0.19429912  0.91907879  0.24677011
   0.28472182  0.64247102  0.44839623
   0.05038245  0.53887964  0.40750751
   0.31181969  0.36473535  0.53978616
   0.37063936  0.74347863  0.70511398
   0.05176177  0.78945545  0.48560735
   0.35699575  0.97297713  0.78550316
   0.51331964  0.92322856  0.61461376
   0.22718051  0.89685761  0.58911010
   0.25602960  0.75452169 -0.10881741
   0.00412810  0.69136835  0.96122974
   0.68230803  0.04178055  0.08413445
   0.81388157  0.22120222  0.21209206
   0.57158971  0.28565891  0.01205301
   0.87922258  0.46118337  0.26963367
   0.02046471  0.48661216  0.11773665
   0.75145021  0.44649161  0.09263587
   0.68177729  0.20467428  0.38386985
   0.46097620  0.17261524  0.46459183
   0.71055798  0.07233417  0.53980285
   0.88472685  0.25909157  0.78987295
   0.63081259  0.34872162  0.54163085
   0.93908850  0.51924047  0.81262251
   1.11997730  0.55385173  0.58702918
   0.78557174  0.43752731  0.66495930
   0.74154103  0.10589530  0.90800168
   0.48367582  0.06742751  0.94612811
   0.52353880  0.54476633  0.03143430
   0.91027569  0.72370982  0.30290250
   0.61377873  0.78841110  0.05646601
   0.84699329  0.99161517  0.34746077
   0.95618075  0.88549818  0.17369131
   0.68670836  0.85664326  0.23165297
   0.77102526  0.57917210  0.44094719
   0.53559788  0.67708236  0.37673769
   0.56974398  0.61328641  0.56195352
   0.83469925  0.77047653  0.81760705
   0.67258113  0.83951420  0.47781233
   0.96347752  0.99624822  0.82969398
   1.01092855  0.84275464  0.68059382
   0.74726471  0.95742645  0.71037263
   0.75160820  0.62092677  0.95746096
   0.50952978  0.74414922  0.89049695
   0.73681636  0.77106163  0.63296957
   0.81314766  1.25191948  0.75295071
   1.00732269  0.28794574  0.12913325
   1.05199590  1.15203859  0.15320272
   0.32621464  0.08674917  0.63562331
   0.39184119  0.27529621  0.56160083
   0.41431081  1.29109748 -0.09616113
  -0.22460055  1.56355876  0.01905507
   0.71276914  0.40125019  0.83785018
   0.59164885  0.57652243  0.71025394
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797645    0.482404    0.174494
    -0.000000    9.763694    0.261017
    -0.000000    0.000000   13.816863
   Si   O    H 
    32    64    10
Direct configuration=  3704
   0.13078692  0.17104409 -0.00032772
   0.35084953  0.10987424  0.39927316
   0.18126428  0.43826435  0.08684547
   0.38196046  0.35060134  0.25081548
   0.04950921  0.17325753  0.49012992
   0.36229839  0.07163310  0.87398896
   0.17933509  0.40069381  0.60670409
   0.36762643  0.38355952  0.76213482
   0.16751777  0.71420289 -0.01593145
   0.39307972  0.62169192  0.35496843
   0.11146975  0.91906291  0.14664557
   0.36241130  0.88140037  0.26544492
   0.13290664  0.63290667  0.47734577
   0.37565161  0.70030412  0.81794890
   0.06927279  0.90047704  0.57445899
   0.35980080  0.94092978  0.66002982
   0.61738371  0.12545374  0.98643933
   0.82777522  0.16237099  0.32938501
   0.59421566  0.40717100  0.08561734
   0.88358608  0.39304138  0.16733272
   0.62261901  0.19913040  0.49622098
   0.89683678  0.12752336  0.87876609
   0.61064485  0.47514879  0.63500635
   0.82390182  0.43413084  0.77484330
   0.58497744  0.67873321 -0.02378459
   0.89823709  0.56731356  0.35711137
   0.60760610  0.90353801  0.13626265
   0.84980573  0.86683847  0.27064885
   0.64562835  0.67985476  0.47019289
   0.89023427  0.65028059  0.88039467
   0.67595466  0.90518715  0.59225315
   0.88632814  0.89754382  0.75224307
   0.09432274  0.09642128  0.10113548
   0.35768116  0.20052552  0.29099987
   0.20296329  0.31768943  0.00089905
   0.37367952  0.46291473  0.33527127
   0.51702575  0.36947218  0.17933878
   0.25328238  0.37967051  0.17743191
   0.20858400  0.13255833  0.44830955
  -0.04165032  0.22276973  0.39388538
  -0.01248150  0.03329198  0.54546753
   0.37492020  0.25653302  0.84722611
   0.05722146  0.29451050  0.57475780
   0.38681408  0.51702212  0.83058941
   0.50118281  0.36909631  0.69122027
   0.21345592  0.38333821  0.72313554
   0.22106823  0.06558278 -0.06445684
  -0.02283571  0.20577624  0.95486778
   0.23494171  0.57504599  0.03225674
   0.34652581  0.71383695  0.25768795
   0.19680880  0.84481870  0.05932454
   0.37995845  0.94612210  0.37320045
   0.45899926  0.94335132  0.18016385
   0.19587146  0.91763961  0.24564340
   0.28655799  0.64243656  0.44840267
   0.05038320  0.53933216  0.40679016
   0.31120156  0.36624306  0.53984083
   0.37161763  0.74160869  0.70587295
   0.05161837  0.79076187  0.48604746
   0.35727295  0.97094159  0.78576525
   0.51202748  0.92318628  0.61598017
   0.22699831  0.89618147  0.58974829
   0.25690879  0.75282215 -0.10908019
   0.00534137  0.69163486  0.96214494
   0.68103548  0.04171909  0.08367570
   0.81566078  0.22274005  0.21137876
   0.57235165  0.28491741  0.01208028
   0.87938747  0.46084414  0.27071497
   0.01902573  0.48581241  0.11888888
   0.75123719  0.44427849  0.09179777
   0.68017927  0.20476355  0.38490526
   0.46123683  0.17331986  0.46555123
   0.71137474  0.07273797  0.54031718
   0.88368872  0.25671680  0.79072859
   0.63207506  0.34845624  0.54090015
   0.94242842  0.51819048  0.81288772
   1.11941313  0.55269131  0.58650457
   0.78592340  0.43592000  0.66501709
   0.74124333  0.10557508  0.90646045
   0.48379149  0.06781785  0.94589937
   0.52541961  0.54424099  0.03246422
   0.90902985  0.72556500  0.30292593
   0.61496256  0.78762443  0.05608550
   0.84842585  0.99386685  0.34599478
   0.95663097  0.88384731  0.17230774
   0.68858209  0.85502554  0.23152061
   0.77357512  0.57974737  0.44090576
   0.53484470  0.67625932  0.37705189
   0.56795719  0.61216204  0.56210961
   0.83228468  0.77038437  0.81781159
   0.67267732  0.84035372  0.47790220
   0.96654794  0.99579082  0.82866745
   1.00973439  0.84392464  0.67874553
   0.74590497  0.95572605  0.71078149
   0.75190241  0.62067904  0.95780985
   0.50947049  0.74322117  0.89083864
   0.73884067  0.77671212  0.62767938
   0.80448027  1.24238974  0.72994839
   1.01433660  0.29412983  0.13263329
   1.05155800  1.14268001  0.16057184
   0.32716006  0.08037969  0.63195950
   0.39708247  0.26443376  0.56369654
   0.41115886  1.29469185 -0.09227537
  -0.22774548  1.56753731  0.02395536
   0.70518728  0.41016889  0.83308172
   0.59222988  0.57605080  0.71802427
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.799292    0.485267    0.175752
    -0.000000    9.765207    0.259828
    -0.000000    0.000000   13.817315
   Si   O    H 
    32    64    10
Direct configuration=  3705
   0.13213370  0.17066677 -0.00042019
   0.35167440  0.11061957  0.39993441
   0.18023909  0.43868534  0.08687062
   0.38195294  0.35050127  0.25127265
   0.04917333  0.17249075  0.49044664
   0.36212697  0.07133026  0.87404983
   0.17890663  0.40130137  0.60605224
   0.36757609  0.38337565  0.76138949
   0.16772707  0.71446087 -0.01545135
   0.39159499  0.62316430  0.35506864
   0.11100605  0.91859897  0.14668207
   0.36180695  0.88146185  0.26513406
   0.13203765  0.63298699  0.47780999
   0.37568657  0.70007333  0.81715719
   0.06959769  0.89914861  0.57421223
   0.35753336  0.93905815  0.66058192
   0.61704978  0.12605017  0.98737862
   0.82798391  0.16367354  0.32801110
   0.59484995  0.40740460  0.08560397
   0.88292631  0.39117445  0.16789050
   0.62193485  0.19611373  0.49694936
   0.89674660  0.12586155  0.87884884
   0.60972263  0.47598854  0.63357206
   0.82436769  0.43568917  0.77555282
   0.58439729  0.67863521 -0.02260539
   0.89817334  0.56892690  0.35760092
   0.60739314  0.90442892  0.13556866
   0.84983820  0.86757225  0.26911984
   0.64497624  0.67930387  0.47118383
   0.89007405  0.64947967  0.88151761
   0.67472792  0.90699142  0.59162648
   0.88670093  0.89757491  0.75177335
   0.09542353  0.09562451  0.10248470
   0.35560925  0.20157514  0.29165470
   0.20290884  0.31818305  0.00151401
   0.37215367  0.46325860  0.33588808
   0.51675301  0.36959767  0.18047309
   0.25352197  0.37755194  0.17682290
   0.20674710  0.13195802  0.44836070
  -0.04153105  0.22251922  0.39407337
  -0.01278262  0.03305497  0.54491895
   0.37597466  0.25734095  0.84632085
   0.05851082  0.29352162  0.57347256
   0.38737596  0.51779758  0.83175267
   0.50150219  0.36971653  0.69098822
   0.21383528  0.38428607  0.72323909
   0.22236957  0.06613027 -0.06471558
  -0.02041139  0.20611733  0.95497722
   0.23352681  0.57550226  0.03227873
   0.34822053  0.71167381  0.25672261
   0.19657758  0.84455627  0.06073279
   0.38004647  0.94654051  0.37328895
   0.45890088  0.94541656  0.17994701
   0.19691797  0.91667744  0.24461150
   0.28905361  0.64185894  0.44794818
   0.04890840  0.53900472  0.40585206
   0.31102660  0.36688586  0.54008165
   0.37275702  0.74002392  0.70614716
   0.05196755  0.79142437  0.48587613
   0.35752107  0.96950054  0.78525196
   0.51110668  0.92238856  0.61807217
   0.22730532  0.89625044  0.59077116
   0.25727347  0.75156000 -0.10963769
   0.00647609  0.69292723  0.96307680
   0.68056026  0.04172449  0.08315872
   0.81791039  0.22308484  0.21117432
   0.57219638  0.28426426  0.01190764
   0.88015547  0.46083711  0.27156934
   0.01748916  0.48442312  0.12027037
   0.75063417  0.44127789  0.09121669
   0.67970404  0.20493310  0.38575871
   0.46182392  0.17455512  0.46695311
   0.71149339  0.07217489  0.54063245
   0.88206221  0.25505726  0.79114418
   0.63297810  0.34815118  0.54021186
   0.94662826  0.51793032  0.81331890
   1.11891584  0.55272032  0.58637040
   0.78672832  0.43373971  0.66501326
   0.74095699  0.10522375  0.90508066
   0.48439434  0.06805553  0.94582439
   0.52672512  0.54408479  0.03382499
   0.90825339  0.72551448  0.30307066
   0.61541604  0.78764461  0.05529382
   0.85004991  0.99585587  0.34439450
   0.95681360  0.88254412  0.17124045
   0.69084626  0.85347651  0.23195565
   0.77613569  0.57937029  0.44055403
   0.53504566  0.67563599  0.37753373
   0.56638976  0.61029683  0.56191121
   0.82958554  0.77132528  0.81726664
   0.67298189  0.84084133  0.47813704
   0.96965838  0.99486044  0.82768734
   1.00906919  0.84510067  0.67693099
   0.74461894  0.95406024  0.71083795
   0.75215888  0.62038163  0.95780229
   0.50847546  0.74185098  0.89054739
   0.74326514  0.77669195  0.62268412
   0.81008922  1.22987132  0.71888666
   1.01459809  0.30184948  0.13734410
   1.04916849  1.13892634  0.16316507
   0.32606377  0.07790117  0.62651476
   0.38813704  0.26564882  0.55999942
   0.41167581  1.29696375 -0.09013435
  -0.23161974  1.56999616  0.02624333
   0.69750603  0.42360575  0.83008589
   0.59363065  0.57467040  0.72302893
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800748    0.488750    0.177062
    -0.000000    9.766339    0.258020
    -0.000000    0.000000   13.817681
   Si   O    H 
    32    64    10
Direct configuration=  3706
   0.13325225  0.17082131 -0.00082736
   0.35249046  0.11116494  0.40033938
   0.17908107  0.43916826  0.08702985
   0.38198374  0.35033913  0.25163637
   0.04867899  0.17173876  0.49088553
   0.36210594  0.07043648  0.87386513
   0.17816496  0.40123932  0.60541557
   0.36720622  0.38400406  0.76063076
   0.16822794  0.71510245 -0.01525637
   0.38996652  0.62513579  0.35480997
   0.11051172  0.91791768  0.14712705
   0.36102872  0.88140643  0.26497249
   0.13121354  0.63305841  0.47861789
   0.37605698  0.69942833  0.81668125
   0.06932479  0.89770354  0.57346419
   0.35469903  0.93777999  0.66116252
   0.61694089  0.12657897  0.98809244
   0.82775415  0.16504471  0.32702796
   0.59541707  0.40736626  0.08486783
   0.88225449  0.38864857  0.16882579
   0.62114180  0.19414223  0.49792698
   0.89626861  0.12480817  0.87838070
   0.60938307  0.47671711  0.63239532
   0.82455961  0.43688486  0.77592507
   0.58354383  0.67847461 -0.02128620
   0.89743689  0.57064900  0.35849762
   0.60741006  0.90553664  0.13529597
   0.84961842  0.86828499  0.26752622
   0.64362814  0.67907770  0.47210826
   0.88992104  0.64859960  0.88232825
   0.67367027  0.90880093  0.59045795
   0.88744216  0.89746265  0.75099209
   0.09602491  0.09460096  0.10381140
   0.35380772  0.20231586  0.29281460
   0.20251708  0.31914183  0.00272971
   0.37119337  0.46393479  0.33660871
   0.51635104  0.36831514  0.18199921
   0.25369797  0.37638029  0.17648861
   0.20449395  0.13121548  0.44901048
  -0.04139800  0.22243845  0.39415665
  -0.01383489  0.03340509  0.54410482
   0.37651037  0.25737281  0.84598759
   0.05999120  0.29283038  0.57157927
   0.38807660  0.51904789  0.83276785
   0.50155710  0.37045165  0.69072297
   0.21412361  0.38484151  0.72356342
   0.22316344  0.06639879 -0.06493761
  -0.01714247  0.20638563  0.95471281
   0.23249558  0.57537935  0.03231909
   0.35005330  0.71040954  0.25602413
   0.19604162  0.84447303  0.06175736
   0.37919702  0.94752140  0.37409867
   0.45740119  0.94680090  0.18034375
   0.19817223  0.91574332  0.24322476
   0.29139926  0.64212123  0.44756459
   0.04743799  0.53886996  0.40448508
   0.31203397  0.36728937  0.54012368
   0.37368892  0.73945220  0.70633761
   0.05153228  0.79165584  0.48515310
   0.35728390  0.96815844  0.78450451
   0.51085567  0.92096717  0.62022323
   0.22879534  0.89602925  0.59121370
   0.25690731  0.75039556 -0.10950505
   0.00775175  0.69437824  0.96377572
   0.67893289  0.04117636  0.08257153
   0.82029496  0.22411571  0.21122442
   0.57172401  0.28342933  0.01162814
   0.88072675  0.46174888  0.27297532
   0.01551110  0.48329754  0.12095731
   0.75047094  0.43792062  0.09091982
   0.68001473  0.20506831  0.38622206
   0.46290551  0.17619777  0.46808023
   0.71106914  0.07082373  0.54115156
   0.87955771  0.25406577  0.79113686
   0.63307090  0.34844077  0.53968847
   0.95047577  0.51775266  0.81441673
   1.11805493  0.55338690  0.58628045
   0.78704673  0.43132796  0.66558094
   0.74059144  0.10517909  0.90428622
   0.48533724  0.06906596  0.94593534
   0.52786633  0.54455288  0.03517228
   0.90765289  0.72504167  0.30367044
   0.61515209  0.78771831  0.05439650
   0.85208938  0.99737805  0.34197397
   0.95653431  0.88222332  0.17014445
   0.69375011  0.85267918  0.23197402
   0.77832422  0.57844095  0.44038121
   0.53610732  0.67482169  0.37780876
   0.56451963  0.60842309  0.56175375
   0.82731788  0.77254836  0.81722258
   0.67358492  0.84131492  0.47859052
   0.97307330  0.99367543  0.82690937
   1.00858227  0.84622355  0.67510398
   0.74381744  0.95290835  0.70969844
   0.75196260  0.62039256  0.95786432
   0.50771264  0.74111942  0.88955237
   0.74973213  0.77272563  0.62092580
   0.82367810  1.21505714  0.71656448
   1.01290690  0.30522702  0.14179977
   1.04647896  1.13899715  0.16227916
   0.32633989  0.07822818  0.62392636
   0.37015652  0.28373604  0.55354155
   0.40962349  1.29316541 -0.09062981
  -0.23483375  1.57311138  0.02574816
   0.68906614  0.44102256  0.82792403
   0.59712639  0.56896759  0.72551013
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801699    0.492481    0.178462
    -0.000000    9.767921    0.256672
    -0.000000    0.000000   13.817739
   Si   O    H 
    32    64    10
Direct configuration=  3707
   0.13447077  0.17051588 -0.00139333
   0.35319302  0.11124725  0.40041774
   0.17810240  0.44010861  0.08721812
   0.38194445  0.34994463  0.25206650
   0.04767901  0.17106491  0.49128325
   0.36178927  0.06950816  0.87325457
   0.17805242  0.40055545  0.60508328
   0.36710879  0.38468023  0.75999867
   0.16887891  0.71588298 -0.01543030
   0.38834769  0.62650550  0.35459832
   0.11020475  0.91726125  0.14779359
   0.36048315  0.88119802  0.26464506
   0.13075889  0.63301202  0.47967620
   0.37624043  0.69863482  0.81638511
   0.06885227  0.89596638  0.57261513
   0.35238276  0.93667034  0.66129054
   0.61705042  0.12682119  0.98866942
   0.82774460  0.16671671  0.32604193
   0.59668276  0.40685107  0.08422615
   0.88237735  0.38597157  0.16946831
   0.62032765  0.19264009  0.49804390
   0.89587849  0.12377829  0.87793418
   0.60920291  0.47761539  0.63129637
   0.82473389  0.43823305  0.77598173
   0.58281865  0.67886219 -0.02008180
   0.89720463  0.57159895  0.35877107
   0.60712440  0.90665100  0.13562001
   0.84965605  0.86919636  0.26606401
   0.64244168  0.67854129  0.47313739
   0.89024205  0.64804000  0.88309352
   0.67331159  0.91101421  0.58932924
   0.88809795  0.89804929  0.75003696
   0.09648685  0.09299062  0.10554088
   0.35195406  0.20259798  0.29451275
   0.20195032  0.32035812  0.00430226
   0.37064679  0.46351692  0.33647627
   0.51506795  0.36710280  0.18371971
   0.25351746  0.37519460  0.17638631
   0.20152885  0.13043032  0.44965715
  -0.04080957  0.22220194  0.39399754
  -0.01433237  0.03473322  0.54318887
   0.37696737  0.25682276  0.84564712
   0.06089114  0.29291001  0.56964471
   0.38961826  0.52010363  0.83399857
   0.50079465  0.37122399  0.69039613
   0.21370612  0.38522324  0.72325228
   0.22340426  0.06589787 -0.06535309
  -0.01400565  0.20601941  0.95421080
   0.23288172  0.57481513  0.03234268
   0.35163142  0.71015203  0.25474967
   0.19511137  0.84378854  0.06275723
   0.37871934  0.94761279  0.37504763
   0.45433719  0.94835762  0.18033716
   0.19944831  0.91580138  0.24165413
   0.29350493  0.64305927  0.44738166
   0.04651204  0.53948891  0.40311007
   0.31385080  0.36751685  0.54062273
   0.37457069  0.73928906  0.70671846
   0.05135604  0.79114967  0.48440126
   0.35711980  0.96679287  0.78385980
   0.51088957  0.91987000  0.62246534
   0.22973704  0.89534831  0.59181932
   0.25612784  0.74935548 -0.10901021
   0.00732536  0.69558083  0.96474923
   0.67732356  0.04011104  0.08243259
   0.82337067  0.22526632  0.21186429
   0.57035236  0.28231776  0.01115658
   0.88116300  0.46189146  0.27467580
   0.01324671  0.48245858  0.12115292
   0.75094129  0.43526468  0.09079715
   0.68124913  0.20602129  0.38642707
   0.46312861  0.17784429  0.46914968
   0.71013377  0.06902282  0.54192171
   0.87740455  0.25271074  0.78998974
   0.63325665  0.34778959  0.53958213
   0.95327823  0.51794035  0.81557666
   1.11630797  0.55486454  0.58579074
   0.78732137  0.42873564  0.66603021
   0.73968912  0.10525095  0.90402002
   0.48694930  0.06919532  0.94633142
   0.52895149  0.54498789  0.03670842
   0.90743343  0.72309933  0.30458067
   0.61568021  0.78820223  0.05329216
   0.85471156  0.99894881  0.33929605
   0.95678763  0.88188892  0.16903522
   0.69626403  0.85206979  0.23202083
   0.78100604  0.57686104  0.44059827
   0.53842449  0.67394540  0.37815609
   0.56326228  0.60722842  0.56108664
   0.82509866  0.77386113  0.81767667
   0.67425471  0.84181662  0.47874789
   0.97659500  0.99277161  0.82615204
   1.00765351  0.84703403  0.67419004
   0.74270190  0.95223809  0.70833419
   0.75265450  0.62019909  0.95791824
   0.50650183  0.74044489  0.88792511
   0.75651434  0.76805397  0.61796490
   0.84376008  1.20282629  0.72193148
   1.01301531  0.29844220  0.14632612
   1.04869295  1.14103173  0.15777465
   0.32990476  0.08183898  0.62451677
   0.35318576  0.30251597  0.54545132
   0.40727434  1.28598571 -0.09365622
  -0.23864456  1.57519453  0.02332881
   0.68585899  0.45712455  0.82865799
   0.60034925  0.56086682  0.72541519
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802473    0.495652    0.179181
    -0.000000    9.769801    0.255592
    -0.000000    0.000000   13.817395
   Si   O    H 
    32    64    10
Direct configuration=  3708
   0.13547498  0.17051246 -0.00205615
   0.35356739  0.11153838  0.40054309
   0.17750356  0.44087725  0.08670751
   0.38091258  0.34989230  0.25212615
   0.04685396  0.17046128  0.49160086
   0.36102804  0.06872874  0.87215910
   0.17853425  0.39978658  0.60470543
   0.36786021  0.38571095  0.75944215
   0.16932427  0.71646901 -0.01559912
   0.38710917  0.62733114  0.35396514
   0.10984642  0.91637208  0.14898059
   0.35957368  0.88114558  0.26468387
   0.13028143  0.63248840  0.48071668
   0.37651757  0.69832307  0.81624974
   0.06829969  0.89386440  0.57136848
   0.34983759  0.93554808  0.66152183
   0.61813750  0.12691837  0.98911721
   0.82776942  0.16804306  0.32554259
   0.59700481  0.40569641  0.08382118
   0.88255999  0.38394896  0.17015151
   0.61972724  0.19159953  0.49770614
   0.89614685  0.12262779  0.87736806
   0.60863346  0.47754381  0.63045950
   0.82548619  0.43941878  0.77595420
   0.58205917  0.67856162 -0.01874194
   0.89729536  0.57180964  0.35872295
   0.60624276  0.90740303  0.13615952
   0.85005593  0.86940394  0.26498109
   0.64112712  0.67883530  0.47371705
   0.89062243  0.64768298  0.88364862
   0.67340704  0.91257731  0.58843639
   0.88805310  0.89940472  0.74958070
   0.09679726  0.09098213  0.10743163
   0.35086046  0.20284776  0.29653207
   0.20040281  0.32235522  0.00567391
   0.36988518  0.46304768  0.33622590
   0.51460417  0.36535139  0.18504733
   0.25416098  0.37455436  0.17651336
   0.19868843  0.12935294  0.45022745
  -0.04011828  0.22229793  0.39433055
  -0.01381972  0.03655022  0.54245594
   0.37647001  0.25610306  0.84584374
   0.06164736  0.29249007  0.56845910
   0.39106416  0.52140224  0.83434154
   0.49984978  0.37188481  0.69019141
   0.21312076  0.38598261  0.72239546
   0.22334135  0.06522035 -0.06584171
  -0.01187883  0.20535270  0.95439394
   0.23409277  0.57361251  0.03203039
   0.35308807  0.71083836  0.25440257
   0.19418672  0.84341401  0.06287154
   0.37832208  0.94780287  0.37597268
   0.45168383  0.95061048  0.18056384
   0.20090821  0.91714393  0.24038820
   0.29473572  0.64426945  0.44794136
   0.04642177  0.54043186  0.40249743
   0.31254522  0.37206892  0.54093667
   0.37482102  0.73864089  0.70722465
   0.05118032  0.78974969  0.48385674
   0.35696252  0.96655200  0.78357934
   0.51052869  0.91858533  0.62402579
   0.23025145  0.89530079  0.59248201
   0.25489159  0.74878110 -0.10882975
   0.00543579  0.69714537  0.96510817
   0.67467327  0.03916347  0.08221075
   0.82556865  0.22606041  0.21198561
   0.56965484  0.28257885  0.01062264
   0.88136946  0.46228588  0.27581127
   0.01142077  0.48185181  0.12099383
   0.75279149  0.43329546  0.09051376
   0.68306792  0.20744176  0.38590811
   0.46293003  0.17834894  0.47048758
   0.70960038  0.06721436  0.54295069
   0.87530386  0.25076567  0.78845734
   0.63303422  0.34715021  0.53961067
   0.95635693  0.51907180  0.81606789
   1.11454490  0.55546859  0.58539648
   0.78732214  0.42639413  0.66638284
   0.73919197  0.10551458  0.90367638
   0.48849796  0.06908271  0.94696572
   0.52901345  0.54640068  0.03780616
   0.90718913  0.72090955  0.30571911
   0.61613466  0.78889963  0.05268523
   0.85763818  1.00085306  0.33683237
   0.95736271  0.88111640  0.16766666
   0.69851413  0.85188668  0.23107298
   0.78323941  0.57511868  0.44141295
   0.53977173  0.67368378  0.37811497
   0.56215647  0.60603729  0.56025789
   0.82244154  0.77422261  0.81792517
   0.67447297  0.84200848  0.47921232
   0.97978692  0.99220884  0.82491939
   1.00678930  0.84791677  0.67361210
   0.74177112  0.95169855  0.70727226
   0.75349553  0.61971220  0.95833212
   0.50563191  0.73994606  0.88604275
   0.76259014  0.76575429  0.61535422
   0.86359128  1.20358457  0.73410773
   1.01483550  0.28394851  0.14919393
   1.04783474  1.14721232  0.15796509
   0.33350266  0.08830401  0.62667978
   0.38690009  0.24605230  0.54376979
   0.40924828  1.28489168 -0.09243130
  -0.23501292  1.57377269  0.02066720
   0.68614857  0.47112888  0.82985254
   0.60360246  0.55777353  0.72142549
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803669    0.498816    0.180390
    -0.000000    9.771294    0.254161
    -0.000000    0.000000   13.816771
   Si   O    H 
    32    64    10
Direct configuration=  3709
   0.13665292  0.17120949 -0.00237988
   0.35363495  0.11180895  0.40087416
   0.17659957  0.44143617  0.08693761
   0.37950614  0.35050050  0.25215122
   0.04640988  0.17045136  0.49151630
   0.36026659  0.06768459  0.87129989
   0.17891835  0.39822326  0.60425268
   0.36838682  0.38704256  0.75932507
   0.16916946  0.71747376 -0.01584185
   0.38655713  0.62766598  0.35335798
   0.10888426  0.91524211  0.14976444
   0.35808668  0.88120404  0.26488482
   0.12936105  0.63240554  0.48076162
   0.37683367  0.69805090  0.81633154
   0.06754392  0.89247579  0.57032841
   0.34700505  0.93467586  0.66159996
   0.61967716  0.12679675  0.98943608
   0.82877381  0.16898800  0.32554083
   0.59732612  0.40432278  0.08387904
   0.88287407  0.38205305  0.17089570
   0.61914644  0.19158063  0.49741586
   0.89596224  0.12164777  0.87740664
   0.60783208  0.47634393  0.62982743
   0.82587052  0.44007489  0.77580238
   0.58092330  0.67798121 -0.01772477
   0.89826524  0.57224475  0.35877933
   0.60506068  0.90804952  0.13652736
   0.85054259  0.86977073  0.26402825
   0.63997357  0.67940212  0.47396204
   0.89131832  0.64744048  0.88421515
   0.67320874  0.91359978  0.58811044
   0.88807137  0.90032581  0.74911318
   0.09704411  0.08910553  0.10928106
   0.35027630  0.20229057  0.29904805
   0.19818711  0.32342503  0.00669079
   0.36994836  0.46231307  0.33585799
   0.51503391  0.36367590  0.18658937
   0.25547846  0.37393488  0.17675822
   0.19684562  0.12805947  0.45056025
  -0.03954960  0.22252669  0.39428845
  -0.01352124  0.03877781  0.54172003
   0.37553354  0.25526597  0.84540213
   0.06229116  0.29304108  0.56758514
   0.39237997  0.52312161  0.83409107
   0.49872445  0.37237351  0.69016436
   0.21176969  0.38633250  0.72175666
   0.22400861  0.06390309 -0.06590890
  -0.01086495  0.20427938  0.95406392
   0.23588933  0.57349519  0.03163079
   0.35371347  0.71231931  0.25413167
   0.19307011  0.84341504  0.06298408
   0.37690504  0.94784896  0.37690787
   0.44914813  0.95274312  0.18020453
   0.20136527  0.91878289  0.23945062
   0.29505550  0.64553758  0.44844587
   0.04756992  0.54120232  0.40262131
   0.31100125  0.37542533  0.54007518
   0.37572667  0.73829172  0.70782315
   0.05062210  0.78797020  0.48338399
   0.35612818  0.96646905  0.78366222
   0.51046629  0.91744978  0.62548939
   0.23161095  0.89540535  0.59279520
   0.25388171  0.74833081 -0.10916053
   0.00356490  0.69819471  0.96519460
   0.67200909  0.03842393  0.08208839
   0.82780830  0.22624591  0.21172944
   0.56958531  0.28291832  0.00985329
   0.88082615  0.46245620  0.27724776
   0.01051226  0.48089710  0.12090589
   0.75430040  0.43201103  0.09084190
   0.68467865  0.20856157  0.38537867
   0.46194154  0.17864686  0.47180010
   0.70879653  0.06621791  0.54365487
   0.87447125  0.24965883  0.78817258
   0.63253470  0.34612208  0.53970394
   0.95945056  0.52054965  0.81673685
   1.11375161  0.55623643  0.58555658
   0.78718720  0.42479981  0.66634739
   0.73854719  0.10538353  0.90387752
   0.48884428  0.06868846  0.94718108
   0.52936666  0.54759249  0.03915731
   0.90755739  0.71956498  0.30691163
   0.61713244  0.79052838  0.05277153
   0.86059552  1.00283982  0.33391553
   0.95732575  0.88153227  0.16647497
   0.70056489  0.85202200  0.23018906
   0.78410794  0.57462190  0.44256122
   0.54020591  0.67353506  0.37853998
   0.56081885  0.60474857  0.55934216
   0.82015206  0.77392117  0.81856863
   0.67471236  0.84255611  0.47960288
   0.98243460  0.99205028  0.82390803
   1.00629298  0.84858315  0.67267296
   0.74109266  0.95225219  0.70609521
   0.75416932  0.61975408  0.95848489
   0.50568446  0.74064909  0.88465550
   0.76333188  0.76459113  0.61030132
   0.87578399  1.19820106  0.72968521
   1.01587657  0.27250148  0.15151713
   1.04657624  1.15623718  0.15874907
   0.33466603  0.08970057  0.63155717
   0.41233898  0.20517430  0.53840822
   0.41338758  1.28245033 -0.09122916
  -0.22516949  1.56416357  0.01902356
   0.69405414  0.48119208  0.83200248
   0.60340120  0.55424871  0.71542367
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804936    0.502330    0.181520
    -0.000000    9.772732    0.252292
    -0.000000    0.000000   13.816290
   Si   O    H 
    32    64    10
Direct configuration=  3710
   0.13681079  0.17175160 -0.00243137
   0.35322764  0.11187679  0.40108860
   0.17553600  0.44252723  0.08789274
   0.37906454  0.35054956  0.25178641
   0.04605950  0.17119209  0.49116642
   0.35957499  0.06644678  0.87019460
   0.17882984  0.39763182  0.60365793
   0.36904907  0.38831978  0.75951143
   0.16871394  0.71876794 -0.01609429
   0.38660103  0.62737541  0.35347926
   0.10902421  0.91479119  0.15060142
   0.35633721  0.88087471  0.26499119
   0.12824864  0.63220672  0.48049327
   0.37693087  0.69752080  0.81638020
   0.06712190  0.89080066  0.57018803
   0.34465480  0.93440140  0.66165508
   0.62116808  0.12692412  0.99012885
   0.82889754  0.16977038  0.32594136
   0.59757603  0.40270066  0.08451663
   0.88298419  0.38008589  0.17141241
   0.61948661  0.19273801  0.49700591
   0.89546002  0.12087167  0.87747818
   0.60715517  0.47494798  0.62915808
   0.82621504  0.44054471  0.77557216
   0.57943397  0.67694280 -0.01666416
   0.89934850  0.57215643  0.35829730
   0.60366670  0.90828814  0.13666489
   0.85130237  0.87004079  0.26344211
   0.63911858  0.67978373  0.47415582
   0.89244743  0.64729256  0.88469624
   0.67308401  0.91450434  0.58786819
   0.88825384  0.90148246  0.74864781
   0.09755817  0.08736670  0.11118728
   0.35018162  0.20124134  0.30176385
   0.19624363  0.32326737  0.00702340
   0.37054979  0.46032189  0.33540482
   0.51596323  0.36280322  0.18766813
   0.25657658  0.37321382  0.17645401
   0.19639538  0.12636957  0.45083165
  -0.03991299  0.22225917  0.39435141
  -0.01384270  0.03914158  0.54127206
   0.37495465  0.25379407  0.84525170
   0.06377164  0.29326983  0.56698885
   0.39342398  0.52437013  0.83339911
   0.49716197  0.37171889  0.69008432
   0.21056412  0.38653333  0.72122335
   0.22428697  0.06240500 -0.06565499
  -0.01057987  0.20278391  0.95372636
   0.23737669  0.57388089  0.03116456
   0.35369663  0.71355484  0.25407128
   0.19153211  0.84288148  0.06242145
   0.37540994  0.94758309  0.37775066
   0.44652031  0.95511689  0.17996012
   0.20130427  0.92025709  0.23929339
   0.29508639  0.64638878  0.44895191
   0.04927922  0.54185952  0.40281685
   0.30903426  0.37704678  0.53961123
   0.37614853  0.73832034  0.70809295
   0.05079452  0.78653549  0.48299454
   0.35677716  0.96599802  0.78425366
   0.51139334  0.91599278  0.62685631
   0.23243845  0.89402982  0.59260325
   0.25309092  0.74846463 -0.10997568
   0.00207360  0.69964525  0.96498230
   0.66963087  0.03761142  0.08195266
   0.82981452  0.22603576  0.21154455
   0.57005324  0.28368376  0.00914248
   0.88065308  0.46196527  0.27817187
   0.01055204  0.47970071  0.11985349
   0.75641979  0.43118648  0.09135815
   0.68717565  0.20958382  0.38508582
   0.45997727  0.17912618  0.47309410
   0.70825362  0.06484334  0.54483072
   0.87484588  0.24870001  0.78816172
   0.63168289  0.34470258  0.53980325
   0.96167278  0.52146875  0.81755537
   1.11269562  0.55719979  0.58611734
   0.78802057  0.42354037  0.66585672
   0.73737883  0.10469358  0.90430907
   0.48847689  0.06825349  0.94754745
   0.52941223  0.54856089  0.04016172
   0.90722999  0.71836559  0.30787947
   0.61734781  0.79206883  0.05341902
   0.86350730  1.00393088  0.33132179
   0.95747609  0.88184251  0.16599341
   0.70101615  0.85221340  0.22893338
   0.78446403  0.57458161  0.44373928
   0.53966586  0.67381248  0.37882964
   0.55841552  0.60377574  0.55852219
   0.81846530  0.77287781  0.81864237
   0.67517634  0.84240724  0.48011135
   0.98417059  0.99182853  0.82328018
   1.00558150  0.84960340  0.67227269
   0.74107904  0.95283574  0.70506917
   0.75495562  0.61939750  0.95842161
   0.50644947  0.74084390  0.88382865
   0.75851740  0.76161215  0.60833608
   0.88943513  1.19676708  0.72241305
   1.01175762  0.26561252  0.15402675
   1.04652587  1.16251703  0.15718939
   0.33284228  0.09266910  0.63722154
   0.43116451  0.16668023  0.53100926
   0.41556777  1.28205788 -0.09207646
  -0.21561328  1.55495947  0.01800883
   0.70747824  0.48415953  0.83352850
   0.60442512  0.55619250  0.71182237
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805880    0.505534    0.182442
    -0.000000    9.774168    0.249966
    -0.000000    0.000000   13.815747
   Si   O    H 
    32    64    10
Direct configuration=  3711
   0.13747702  0.17179409 -0.00211232
   0.35235900  0.11193670  0.40089255
   0.17407723  0.44362864  0.08855326
   0.37883999  0.35091797  0.25190693
   0.04609814  0.17187881  0.49052784
   0.35942822  0.06556873  0.86897756
   0.17836460  0.39714540  0.60243831
   0.36960076  0.38952892  0.75974075
   0.16682010  0.72013465 -0.01652683
   0.38631257  0.62689129  0.35380269
   0.10922124  0.91462456  0.15085682
   0.35461908  0.88111851  0.26524299
   0.12779744  0.63141552  0.48049273
   0.37702129  0.69644912  0.81681512
   0.06683085  0.88934235  0.56985661
   0.34338742  0.93494405  0.66128307
   0.62280246  0.12693729  0.99064023
   0.82909367  0.17084527  0.32655141
   0.59736226  0.40105498  0.08550927
   0.88353790  0.37795973  0.17215368
   0.62112119  0.19437154  0.49689804
   0.89536348  0.12055699  0.87748345
   0.60631887  0.47331158  0.62843599
   0.82621662  0.44023795  0.77504696
   0.57839648  0.67650282 -0.01598985
   0.90029852  0.57227062  0.35743076
   0.60311355  0.90790755  0.13684556
   0.85220485  0.86984526  0.26309507
   0.63846668  0.68045664  0.47385600
   0.89384648  0.64738812  0.88512086
   0.67288460  0.91458457  0.58794909
   0.88810644  0.90211184  0.74805240
   0.09882971  0.08620015  0.11208979
   0.35031502  0.20008114  0.30443133
   0.19393609  0.32261106  0.00725074
   0.37166922  0.45900624  0.33455934
   0.51747767  0.36291387  0.18784152
   0.25734267  0.37183540  0.17574063
   0.19659231  0.12450088  0.45060250
  -0.04008065  0.22218970  0.39412004
  -0.01365292  0.03924968  0.54076595
   0.37403422  0.25192501  0.84516992
   0.06463377  0.29273322  0.56716622
   0.39424823  0.52526836  0.83260694
   0.49616704  0.37108536  0.68979843
   0.20954542  0.38655221  0.72142420
   0.22468065  0.06044986 -0.06487847
  -0.00973795  0.20079313  0.95299748
   0.23851216  0.57499485  0.03122716
   0.35435206  0.71496607  0.25318100
   0.19001830  0.84298588  0.06193193
   0.37427530  0.94820387  0.37801071
   0.44433652  0.95663098  0.17988132
   0.20056815  0.92191842  0.23978206
   0.29385815  0.64773449  0.44972544
   0.05163656  0.54238993  0.40293861
   0.30796088  0.37861944  0.53911119
   0.37765636  0.73954140  0.70752127
   0.05122786  0.78482633  0.48261638
   0.35721615  0.96580945  0.78475779
   0.51196916  0.91533332  0.62744330
   0.23258201  0.89270288  0.59218886
   0.25194334  0.74859043 -0.11104790
  -0.00008645  0.70187358  0.96505479
   0.66795800  0.03689642  0.08219502
   0.83173328  0.22543547  0.21187934
   0.57079461  0.28529082  0.00881726
   0.88011735  0.46160870  0.27831148
   0.00976884  0.47818330  0.11897473
   0.75900237  0.43015122  0.09199050
   0.68867719  0.21063051  0.38431120
   0.45903444  0.17839671  0.47316261
   0.70682426  0.06436982  0.54567573
   0.87530984  0.24784300  0.78765365
   0.63122044  0.34233624  0.53997545
   0.96335349  0.52220260  0.81832186
   1.11130368  0.55818736  0.58688931
   0.78860832  0.42334779  0.66520965
   0.73609826  0.10352107  0.90565873
   0.48748807  0.06694096  0.94748968
   0.53066958  0.54862238  0.04145675
   0.90672129  0.71872990  0.30914896
   0.61779626  0.79373304  0.05404484
   0.86626506  1.00466576  0.32865131
   0.95742610  0.88186386  0.16547814
   0.70021835  0.85299018  0.22755585
   0.78455776  0.57535089  0.44476688
   0.53925470  0.67375024  0.37913028
   0.55566348  0.60326676  0.55707108
   0.81755099  0.77179286  0.81916637
   0.67467498  0.84203201  0.47999014
   0.98476470  0.99147330  0.82277752
   1.00521735  0.85028034  0.67235237
   0.74169057  0.95408780  0.70479985
   0.75553720  0.61889705  0.95883478
   0.50806906  0.74096734  0.88339629
   0.75514967  0.76595697  0.60714035
   0.89785716  1.20258042  0.71878066
   1.00883954  0.26464354  0.15547310
   1.04550249  1.16774427  0.15632547
   0.33180280  0.09539326  0.64255177
   0.43022205  0.12924308  0.55313228
   0.41500073  1.28261361 -0.09819778
  -0.20759842  1.54595343  0.01531176
   0.71957628  0.48727692  0.83613328
   0.60547088  0.56222608  0.71295064
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.806758    0.508526    0.183054
    -0.000000    9.775429    0.247476
    -0.000000    0.000000   13.815149
   Si   O    H 
    32    64    10
Direct configuration=  3712
   0.13829516  0.17130573 -0.00184801
   0.35100089  0.11171254  0.40077409
   0.17277348  0.44376678  0.08925288
   0.37903653  0.35058820  0.25204117
   0.04592745  0.17296918  0.49017582
   0.35964486  0.06442705  0.86864676
   0.17785397  0.39711756  0.60077004
   0.37011686  0.39116975  0.76046073
   0.16451908  0.72122632 -0.01676085
   0.38689384  0.62578532  0.35412319
   0.11033970  0.91500446  0.15083738
   0.35329399  0.88169271  0.26528071
   0.12815384  0.63050384  0.48080189
   0.37716661  0.69573965  0.81671263
   0.06661234  0.88797823  0.56975262
   0.34228375  0.93611228  0.66091187
   0.62403137  0.12686415  0.99079618
   0.82886245  0.17193214  0.32735486
   0.59705019  0.39963435  0.08647010
   0.88416992  0.37670310  0.17296592
   0.62332255  0.19598085  0.49669678
   0.89533946  0.12057708  0.87700866
   0.60517495  0.47096928  0.62786815
   0.82623407  0.43965979  0.77456980
   0.57747398  0.67657153 -0.01570260
   0.90173666  0.57200204  0.35668147
   0.60290500  0.90762236  0.13697249
   0.85329038  0.86937742  0.26245917
   0.63864319  0.68096376  0.47310941
   0.89485778  0.64761748  0.88563433
   0.67326950  0.91438284  0.58845366
   0.88812372  0.90258504  0.74735266
   0.10067069  0.08551723  0.11245509
   0.35053721  0.19989021  0.30639435
   0.19208986  0.32161890  0.00690860
   0.37268769  0.45835571  0.33445499
   0.51920604  0.36284712  0.18856814
   0.25757097  0.37067693  0.17449432
   0.19740709  0.12241713  0.44982743
  -0.04036906  0.22237660  0.39370573
  -0.01494508  0.03912882  0.54058024
   0.37303958  0.24997298  0.84482310
   0.06490267  0.29137585  0.56806357
   0.39517851  0.52470739  0.83213295
   0.49536247  0.37059716  0.68943124
   0.20907891  0.38652822  0.72163139
   0.22480154  0.05889043 -0.06333591
  -0.00905270  0.19829832  0.95151171
   0.24005290  0.57675328  0.03219508
   0.35517521  0.71652808  0.25207199
   0.18786006  0.84255296  0.06168664
   0.37359405  0.94817390  0.37793489
   0.44300832  0.95742782  0.18028406
   0.19954540  0.92414250  0.24022744
   0.29246074  0.64904133  0.45027870
   0.05393044  0.54245768  0.40308617
   0.30686196  0.38029309  0.53852726
   0.37955878  0.74099574  0.70699385
   0.05173828  0.78364663  0.48159606
   0.35700327  0.96535101  0.78485127
   0.51203299  0.91496182  0.62806604
   0.23186216  0.89166622  0.59113203
   0.25115266  0.74839021 -0.11109479
  -0.00173469  0.70385749  0.96541029
   0.66601882  0.03592088  0.08275546
   0.83219447  0.22500726  0.21270061
   0.57196879  0.28629500  0.00831613
   0.87930248  0.46123425  0.27819653
   0.00904694  0.47680842  0.11795747
   0.76132850  0.42867463  0.09311945
   0.68955546  0.21243072  0.38319631
   0.45725654  0.17752307  0.47445605
   0.70492756  0.06472995  0.54657942
   0.87522399  0.24666634  0.78656798
   0.63036686  0.34039541  0.54000671
   0.96361833  0.52294239  0.81909498
   1.11024248  0.55967330  0.58768930
   0.78903986  0.42392705  0.66426551
   0.73573186  0.10208291  0.90689433
   0.48563284  0.06560625  0.94699693
   0.53170466  0.54851147  0.04308703
   0.90663100  0.71960250  0.30942094
   0.61834567  0.79593742  0.05441973
   0.86919305  1.00497017  0.32605885
   0.95613845  0.88142293  0.16472383
   0.69933883  0.85401382  0.22526392
   0.78447456  0.57618728  0.44602800
   0.53878763  0.67356995  0.37917942
   0.55309096  0.60326202  0.55574307
   0.81702436  0.77019493  0.82005554
   0.67412926  0.84086184  0.47948328
   0.98457695  0.99125471  0.82173253
   1.00424607  0.85129258  0.67241063
   0.74261908  0.95506533  0.70429607
   0.75659222  0.61794092  0.96030725
   0.50979574  0.74001315  0.88315147
   0.75172414  0.77145833  0.60727991
   0.90091438  1.21789129  0.72097881
   1.00463743  0.27417260  0.15634668
   1.04379440  1.16972839  0.15468570
   0.33452153  0.09639396  0.64286993
   0.42653080  0.09714110  0.57151686
   0.41678541  1.28552251 -0.10104735
  -0.20891365  1.54071140  0.01095746
   0.72834095  0.48789682  0.83996718
   0.60495900  0.57493285  0.71434081
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807854    0.511733    0.184150
    -0.000000    9.776429    0.244746
    -0.000000    0.000000   13.814547
   Si   O    H 
    32    64    10
Direct configuration=  3713
   0.13891341  0.17118413 -0.00161183
   0.34937987  0.11155582  0.40112294
   0.17127310  0.44423754  0.08947976
   0.37889040  0.34979160  0.25167189
   0.04603764  0.17418533  0.48961624
   0.36036673  0.06360272  0.86824314
   0.17749405  0.39720178  0.59953307
   0.37092102  0.39288242  0.76142434
   0.16297233  0.72138901 -0.01706907
   0.38759904  0.62433608  0.35461832
   0.11097310  0.91568084  0.15074150
   0.35193668  0.88222006  0.26550932
   0.12871140  0.62984151  0.48105608
   0.37735085  0.69536281  0.81676263
   0.06625187  0.88684546  0.56990834
   0.34229672  0.93709925  0.66096668
   0.62419877  0.12613949  0.99062969
   0.82922216  0.17254956  0.32798988
   0.59720563  0.39855353  0.08767186
   0.88456991  0.37598857  0.17374392
   0.62552473  0.19776705  0.49680013
   0.89558736  0.12038065  0.87657160
   0.60406301  0.46918715  0.62728356
   0.82624906  0.43933015  0.77419868
   0.57685231  0.67702741 -0.01571181
   0.90280065  0.57182215  0.35596536
   0.60265740  0.90749869  0.13758828
   0.85410899  0.86862125  0.26201613
   0.63877516  0.68051943  0.47293715
   0.89591919  0.64834866  0.88602221
   0.67421351  0.91393125  0.58967542
   0.88809472  0.90298159  0.74700469
   0.10303657  0.08583308  0.11204900
   0.35103477  0.19998352  0.30703056
   0.19058127  0.32058169  0.00635613
   0.37317895  0.45839963  0.33477263
   0.52114074  0.36217683  0.18895792
   0.25732073  0.36965716  0.17356792
   0.19758516  0.12036557  0.44924525
  -0.04091921  0.22143713  0.39361860
  -0.01631982  0.03883939  0.54076506
   0.37214842  0.24853136  0.84428837
   0.06419377  0.29061690  0.56954422
   0.39558796  0.52417494  0.83166775
   0.49490974  0.36991998  0.68914330
   0.20885355  0.38653151  0.72175500
   0.22436769  0.05781071 -0.06196093
  -0.00904372  0.19673431  0.95001171
   0.24148402  0.57847861  0.03295285
   0.35562721  0.71771572  0.25141001
   0.18618420  0.84195875  0.06132107
   0.37344210  0.94768730  0.37760702
   0.44238691  0.95712761  0.18061372
   0.19830144  0.92588527  0.24148099
   0.29051391  0.65016814  0.45042302
   0.05721479  0.54240939  0.40283426
   0.30611229  0.38199197  0.53738973
   0.38128501  0.74280665  0.70694977
   0.05332991  0.78241107  0.48045683
   0.35661003  0.96480466  0.78500105
   0.51150455  0.91472213  0.62846245
   0.23008448  0.89043841  0.59029846
   0.25064427  0.74871729 -0.11201939
  -0.00367067  0.70561488  0.96590711
   0.66494386  0.03568387  0.08324921
   0.83209414  0.22410305  0.21308316
   0.57365405  0.28767691  0.00752275
   0.87764116  0.46030766  0.27810964
   0.00786417  0.47639764  0.11658604
   0.76356953  0.42708995  0.09428171
   0.69010471  0.21416889  0.38220941
   0.45559079  0.17584737  0.47625494
   0.70252748  0.06597701  0.54785562
   0.87542977  0.24556298  0.78587662
   0.63075384  0.33852425  0.54025144
   0.96403207  0.52336077  0.82053443
   1.10997052  0.56107915  0.58800499
   0.78957294  0.42512572  0.66322685
   0.73587693  0.10058583  0.90785403
   0.48411381  0.06408337  0.94681837
   0.53278996  0.54738930  0.04488640
   0.90541850  0.72006581  0.30900112
   0.61808318  0.79838571  0.05448825
   0.87210899  1.00536008  0.32377479
   0.95482853  0.88104016  0.16421940
   0.69877869  0.85473621  0.22333068
   0.78403504  0.57758564  0.44707435
   0.53919156  0.67355322  0.37913704
   0.55061355  0.60327332  0.55445856
   0.81681470  0.76868393  0.82099860
   0.67318760  0.84102860  0.47849815
   0.98371885  0.99149255  0.82070176
   1.00339778  0.85148608  0.67272301
   0.74406617  0.95596921  0.70381323
   0.75828745  0.61615323  0.96143476
   0.51119070  0.73858552  0.88318478
   0.74957749  0.77564473  0.61009647
   0.90518533  1.23445781  0.72308831
   1.00292551  0.28720709  0.15373748
   1.04204096  1.16646363  0.15209887
   0.33802557  0.09209429  0.64068846
   0.42248369  0.07143765  0.58680429
   0.42061152  1.28545526 -0.10072992
  -0.21345091  1.54144818  0.00786134
   0.73084934  0.48645813  0.84496358
   0.60258430  0.58313769  0.71310542
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809102    0.514897    0.185569
    -0.000000    9.777107    0.242173
    -0.000000    0.000000   13.813496
   Si   O    H 
    32    64    10
Direct configuration=  3714
   0.13954831  0.17086649 -0.00100598
   0.34822037  0.11035941  0.40166212
   0.16987264  0.44503011  0.08934839
   0.37914043  0.34912009  0.25141586
   0.04687924  0.17533615  0.48937941
   0.36128673  0.06338462  0.86839394
   0.17731593  0.39756746  0.59855938
   0.37174878  0.39409929  0.76264954
   0.16153523  0.72101641 -0.01696717
   0.38829778  0.62251720  0.35523248
   0.11122703  0.91633719  0.15059407
   0.35131620  0.88320766  0.26599474
   0.12954600  0.62911646  0.48142650
   0.37839054  0.69486212  0.81646348
   0.06631747  0.88619457  0.56979705
   0.34364254  0.93769945  0.66135913
   0.62398061  0.12519199  0.99044413
   0.83024594  0.17312389  0.32849619
   0.59772011  0.39756297  0.08894524
   0.88521251  0.37581125  0.17491706
   0.62748941  0.19931126  0.49717616
   0.89600099  0.12012510  0.87568261
   0.60356178  0.46741907  0.62703008
   0.82638250  0.43887699  0.77379578
   0.57596025  0.67800213 -0.01569261
   0.90341065  0.57193970  0.35552045
   0.60294074  0.90749083  0.13793768
   0.85508475  0.86820541  0.26125247
   0.63918887  0.68002169  0.47273438
   0.89703506  0.64919872  0.88630562
   0.67460800  0.91310278  0.59081158
   0.88760083  0.90337100  0.74684336
   0.10549004  0.08613343  0.11131062
   0.35111620  0.20111734  0.30616397
   0.18940298  0.31954344  0.00574554
   0.37290977  0.45897019  0.33469995
   0.52368897  0.36065529  0.18948727
   0.25804587  0.36864892  0.17306711
   0.19879883  0.11876544  0.44909679
  -0.04210792  0.22038158  0.39381787
  -0.01725981  0.03883278  0.54107522
   0.37186589  0.24741222  0.84357812
   0.06261631  0.29042442  0.57047160
   0.39633849  0.52350884  0.83123710
   0.49431429  0.36914903  0.68916784
   0.20915773  0.38650826  0.72158525
   0.22386895  0.05714111 -0.06048942
  -0.00931941  0.19555525  0.94859792
   0.24284539  0.57913438  0.03386981
   0.35632077  0.71862549  0.25110196
   0.18498858  0.84132658  0.06047326
   0.37343154  0.94703421  0.37630425
   0.44273299  0.95651025  0.18096748
   0.19681540  0.92798204  0.24289781
   0.28879171  0.65046556  0.44981892
   0.06023006  0.54214985  0.40260004
   0.30521183  0.38307251  0.53597234
   0.38417664  0.74427280  0.70679427
   0.05516949  0.78157527  0.47974554
   0.35582270  0.96482169  0.78468646
   0.51024900  0.91491127  0.62870593
   0.22764793  0.88965802  0.58929018
   0.25022546  0.74887843 -0.11266165
  -0.00558081  0.70709867  0.96639141
   0.66388637  0.03623790  0.08408653
   0.83137518  0.22341395  0.21401862
   0.57531726  0.28959338  0.00705201
   0.87618158  0.46007453  0.27757699
   0.00757077  0.47644747  0.11519046
   0.76417059  0.42528328  0.09547330
   0.69034834  0.21591627  0.38118197
   0.45464675  0.17419506  0.47842276
   0.70016682  0.06848502  0.54876273
   0.87513351  0.24532318  0.78556043
   0.63084616  0.33808092  0.54091771
   0.96421197  0.52318711  0.82102356
   1.10969065  0.56291277  0.58798807
   0.79012678  0.42589537  0.66197276
   0.73602791  0.09962765  0.90870169
   0.48309691  0.06319686  0.94614231
   0.53371568  0.54603026  0.04662666
   0.90435505  0.72070874  0.30824459
   0.61755074  0.79994018  0.05396776
   0.87487391  1.00547705  0.32169824
   0.95366219  0.88003424  0.16409928
   0.69942743  0.85507628  0.22161503
   0.78357921  0.57897093  0.44778371
   0.53977792  0.67200957  0.37886090
   0.54792802  0.60378329  0.55363924
   0.81714124  0.76762876  0.82077973
   0.67182071  0.84115037  0.47721244
   0.98225782  0.99209617  0.82020369
   1.00296450  0.85198149  0.67307666
   0.74595102  0.95684988  0.70367621
   0.75960463  0.61450426  0.96179548
   0.51236222  0.73684413  0.88351764
   0.74847497  0.77582975  0.61553752
   0.91321007  1.24079549  0.71680358
   1.01132518  0.29135011  0.15052053
   1.04022225  1.16111044  0.14586181
   0.34571878  0.08898199  0.63484084
   0.41986931  0.05300360  0.60274458
   0.42439423  1.28206275 -0.10007962
  -0.21702480  1.54279176  0.00888797
   0.72710891  0.47818064  0.84804568
   0.59816271  0.58719319  0.71073208
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810497    0.518233    0.186817
    -0.000000    9.778222    0.239615
    -0.000000    0.000000   13.812075
   Si   O    H 
    32    64    10
Direct configuration=  3715
   0.13964999  0.17095541 -0.00071190
   0.34769965  0.10892401  0.40246107
   0.16887552  0.44542012  0.08922578
   0.37928678  0.34838865  0.25135677
   0.04770430  0.17589364  0.48906822
   0.36223583  0.06315813  0.86906490
   0.17768686  0.39792271  0.59761352
   0.37290211  0.39494811  0.76368176
   0.16040169  0.71997248 -0.01644090
   0.38879887  0.62033796  0.35604118
   0.11074459  0.91688780  0.15007709
   0.35091080  0.88403561  0.26637619
   0.13017005  0.62810147  0.48187039
   0.37908458  0.69373875  0.81615113
   0.06583270  0.88620218  0.56952926
   0.34507022  0.93724937  0.66193784
   0.62325560  0.12429594  0.98996619
   0.83142361  0.17381415  0.32913118
   0.59863177  0.39712055  0.08978616
   0.88588205  0.37619448  0.17619839
   0.62882704  0.20034820  0.49707979
   0.89692188  0.12000330  0.87468913
   0.60287793  0.46589989  0.62696669
   0.82678706  0.43884185  0.77313721
   0.57618005  0.67871014 -0.01614909
   0.90400071  0.57247897  0.35536549
   0.60296256  0.90755289  0.13867081
   0.85565188  0.86804838  0.26080617
   0.63953899  0.67931575  0.47215338
   0.89716584  0.65032972  0.88646305
   0.67521450  0.91191611  0.59186508
   0.88642637  0.90317958  0.74692793
   0.10811175  0.08646262  0.11022635
   0.35039696  0.20308486  0.30532290
   0.18897349  0.31942782  0.00572594
   0.37278944  0.46036468  0.33434530
   0.52573854  0.35819730  0.19057345
   0.25842352  0.36802490  0.17284695
   0.19994995  0.11787661  0.44927164
  -0.04352700  0.21966878  0.39410711
  -0.01793310  0.03748469  0.54113611
   0.37176066  0.24583898  0.84318515
   0.06095420  0.29045634  0.57121775
   0.39689588  0.52270574  0.83141738
   0.49406024  0.36879188  0.68928202
   0.20961807  0.38621140  0.72146149
   0.22382433  0.05617583 -0.05957751
  -0.00972192  0.19407599  0.94685672
   0.24406050  0.57963527  0.03477839
   0.35682177  0.71901585  0.25107290
   0.18420436  0.84061021  0.05974910
   0.37345958  0.94599430  0.37501902
   0.44341020  0.95554634  0.18064671
   0.19476562  0.93043664  0.24352381
   0.28768300  0.65012602  0.44902118
   0.06238016  0.54167456  0.40155467
   0.30475654  0.38484972  0.53457785
   0.38629844  0.74532751  0.70684548
   0.05566652  0.78090031  0.47921236
   0.35517456  0.96474801  0.78366439
   0.50858083  0.91472050  0.62881198
   0.22589052  0.88911832  0.58857974
   0.24997082  0.74868579 -0.11367101
  -0.00616276  0.70901064  0.96674555
   0.66363312  0.03765889  0.08450402
   0.83036543  0.22242124  0.21488247
   0.57649961  0.29076337  0.00610094
   0.87417987  0.45955289  0.27661419
   0.00831400  0.47646255  0.11341498
   0.76442167  0.42351387  0.09653559
   0.69021598  0.21691314  0.38019107
   0.45487178  0.17178446  0.48068423
   0.69778202  0.07043958  0.55017006
   0.87417392  0.24649763  0.78522121
   0.63168598  0.33827657  0.54164184
   0.96433625  0.52316284  0.82100661
   1.10973876  0.56521422  0.58839615
   0.79048625  0.42714331  0.66103071
   0.73584242  0.09986954  0.90966673
   0.48210252  0.06203759  0.94557348
   0.53403082  0.54500629  0.04851854
   0.90370855  0.72173286  0.30751418
   0.61647747  0.80014782  0.05288035
   0.87653840  1.00601230  0.32012811
   0.95238885  0.87969029  0.16436841
   0.69981317  0.85541259  0.22050889
   0.78379598  0.58049257  0.44866625
   0.54008773  0.67001201  0.37793110
   0.54547799  0.60361628  0.55326404
   0.81782391  0.76666910  0.82080132
   0.66967179  0.84110309  0.47546259
   0.98075549  0.99265858  0.82029785
   1.00224833  0.85272435  0.67334680
   0.74716897  0.95831470  0.70366519
   0.76040164  0.61388865  0.96145355
   0.51375605  0.73493811  0.88439970
   0.74913853  0.77549075  0.62122316
   0.91960739  1.24104232  0.71016012
   1.02162453  0.28670628  0.14996186
   1.04097466  1.15824798  0.14194980
   0.35395750  0.08810013  0.62840018
   0.42040239  0.04333321  0.61705196
   0.42721042  1.27682496 -0.09924372
  -0.22170774  1.54262303  0.01558344
   0.72162061  0.46670430  0.85236041
   0.59576918  0.58651264  0.70800808
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.812054    0.521271    0.188263
    -0.000000    9.778848    0.237049
    -0.000000    0.000000   13.810443
   Si   O    H 
    32    64    10
Direct configuration=  3716
   0.13931577  0.17030736 -0.00020350
   0.34742684  0.10747772  0.40356238
   0.16803070  0.44582985  0.08877197
   0.38015798  0.34806177  0.25139081
   0.04779656  0.17580098  0.48905858
   0.36256572  0.06308966  0.86956009
   0.17835167  0.39877000  0.59673205
   0.37351999  0.39574150  0.76476704
   0.15932883  0.71877558 -0.01607394
   0.38896694  0.61863243  0.35724973
   0.11023336  0.91734163  0.14927616
   0.35048379  0.88457609  0.26682040
   0.13084307  0.62698598  0.48211367
   0.38008607  0.69255359  0.81530804
   0.06516125  0.88597799  0.56919295
   0.34630092  0.93602433  0.66268534
   0.62204982  0.12329313  0.98926931
   0.83297388  0.17384816  0.32965088
   0.59974893  0.39755060  0.09090961
   0.88685791  0.37628452  0.17758178
   0.62964480  0.20120831  0.49644326
   0.89746295  0.11984143  0.87404770
   0.60219860  0.46461530  0.62687158
   0.82707611  0.43854551  0.77282406
   0.57605191  0.67926861 -0.01673344
   0.90445827  0.57299246  0.35529055
   0.60248161  0.90755123  0.13885317
   0.85581420  0.86811349  0.26041285
   0.64002098  0.67892110  0.47149672
   0.89680374  0.65204698  0.88642770
   0.67583040  0.91121681  0.59306581
   0.88628517  0.90223611  0.74712723
   0.11023242  0.08716013  0.10823218
   0.34963280  0.20397101  0.30428981
   0.18891532  0.31989536  0.00605615
   0.37234338  0.46253569  0.33364842
   0.52677647  0.35596354  0.19150565
   0.25870683  0.36767700  0.17324814
   0.20080222  0.11629068  0.44959478
  -0.04502912  0.21852270  0.39433496
  -0.01816386  0.03603168  0.54129534
   0.37243462  0.24571028  0.84297308
   0.05937016  0.29070186  0.57161778
   0.39635239  0.52160837  0.83216837
   0.49483565  0.36899878  0.68915220
   0.20982704  0.38570024  0.72200536
   0.22494633  0.05555107 -0.05906072
  -0.01042837  0.19175204  0.94569130
   0.24488540  0.57983661  0.03524735
   0.35719601  0.71950216  0.25100743
   0.18320356  0.84042618  0.05899270
   0.37357665  0.94451835  0.37357787
   0.44468849  0.95463901  0.18071716
   0.19311012  0.93206722  0.24454530
   0.28724981  0.65049159  0.44756418
   0.06325310  0.54134352  0.40063964
   0.30463871  0.38580245  0.53329815
   0.38898089  0.74618090  0.70741354
   0.05660783  0.78047563  0.47890529
   0.35534666  0.96473790  0.78286933
   0.50805937  0.91494614  0.62834306
   0.22515011  0.88894744  0.58778398
   0.24980909  0.74816558 -0.11424642
  -0.00624502  0.70995023  0.96730157
   0.66357590  0.03883529  0.08465193
   0.83006904  0.22155236  0.21605116
   0.57809764  0.29129942  0.00527073
   0.87143865  0.45949953  0.27530033
   0.00902308  0.47651226  0.11215130
   0.76418133  0.42141746  0.09797087
   0.68928396  0.21757166  0.37968608
   0.45580881  0.16967406  0.48265690
   0.69564371  0.07299952  0.55146557
   0.87282290  0.24725107  0.78425247
   0.63217351  0.33926868  0.54315520
   0.96411073  0.52261391  0.82096521
   1.11016148  0.56715277  0.58904918
   0.79059232  0.42915469  0.66019991
   0.73529388  0.10045848  0.90964727
   0.48227300  0.06051849  0.94473935
   0.53526231  0.54414998  0.04982975
   0.90345836  0.72300082  0.30661143
   0.61566222  0.80114263  0.05154068
   0.87732342  1.00625455  0.31871813
   0.95184887  0.87906440  0.16435589
   0.70026420  0.85598986  0.22000852
   0.78428586  0.58245573  0.44982936
   0.54005572  0.66873587  0.37633632
   0.54314232  0.60378573  0.55398634
   0.81858043  0.76516452  0.82064439
   0.66774155  0.84131157  0.47356433
   0.97880531  0.99372673  0.82028941
   1.00248099  0.85286891  0.67357966
   0.74812011  0.96058544  0.70342710
   0.76113936  0.61364528  0.96117703
   0.51502781  0.73335924  0.88515766
   0.74599494  0.77805230  0.62686535
   0.92162492  1.23807302  0.71279838
   1.02743269  0.27841220  0.15129673
   1.04205862  1.15692798  0.13826952
   0.34647135  0.10074736  0.62454133
   0.44288923  0.03457994  0.62700359
   0.42759054  1.26969267 -0.10152999
  -0.22629757  1.54322798  0.02060116
   0.72075801  0.45385400  0.85172454
   0.59479902  0.58180617  0.70567456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813309    0.524419    0.190539
    -0.000000    9.779440    0.233947
    -0.000000    0.000000   13.808927
   Si   O    H 
    32    64    10
Direct configuration=  3717
   0.13916402  0.17012740  0.00028553
   0.34741180  0.10639902  0.40435285
   0.16733986  0.44628383  0.08802034
   0.38151780  0.34734026  0.25122305
   0.04755261  0.17556463  0.48912150
   0.36305091  0.06311709  0.87007114
   0.17900548  0.39960553  0.59623760
   0.37366509  0.39551854  0.76470424
   0.15796223  0.71754897 -0.01584531
   0.38862123  0.61708479  0.35855987
   0.10925395  0.91778738  0.14831184
   0.34907619  0.88469294  0.26756739
   0.13159041  0.62561796  0.48262193
   0.38105423  0.69146382  0.81480634
   0.06465677  0.88549710  0.56889739
   0.34690524  0.93427302  0.66401002
   0.62092203  0.12245662  0.98892722
   0.83470356  0.17399103  0.32993558
   0.60080461  0.39793225  0.09208503
   0.88790813  0.37616533  0.17853105
   0.62997902  0.20178198  0.49532088
   0.89814118  0.12002488  0.87322717
   0.60147934  0.46325835  0.62698110
   0.82683268  0.43866453  0.77204595
   0.57646261  0.67994605 -0.01678820
   0.90486429  0.57378781  0.35545871
   0.60186866  0.90772862  0.13873753
   0.85602990  0.86823125  0.25992447
   0.64031429  0.67779575  0.47070605
   0.89603418  0.65382710  0.88654886
   0.67654805  0.91030937  0.59368584
   0.88677354  0.90030225  0.74757433
   0.11283206  0.08783775  0.10597111
   0.34894531  0.20556006  0.30326797
   0.18898725  0.32004527  0.00581378
   0.37104842  0.46368864  0.33323188
   0.52738424  0.35394200  0.19260018
   0.25859873  0.36803675  0.17356335
   0.20102018  0.11592444  0.45041653
  -0.04657204  0.21735439  0.39538775
  -0.01766200  0.03479278  0.54096796
   0.37287894  0.24504112  0.84233420
   0.05830090  0.29050341  0.57207933
   0.39541753  0.52065717  0.83270415
   0.49550807  0.36994559  0.68881281
   0.21002905  0.38559598  0.72236271
   0.22686682  0.05586580 -0.05942804
  -0.01120282  0.18902516  0.94478890
   0.24566125  0.58026875  0.03497794
   0.35711904  0.72036154  0.25074950
   0.18204929  0.84067910  0.05841516
   0.37409573  0.94253646  0.37185098
   0.44586270  0.95430039  0.18024528
   0.19147893  0.93380746  0.24457128
   0.28650044  0.65099186  0.44621939
   0.06324004  0.54032520  0.39934827
   0.30558737  0.38690694  0.53221685
   0.39115104  0.74737962  0.70787785
   0.05715056  0.77942222  0.47873910
   0.35567835  0.96528732  0.78183374
   0.50758597  0.91629837  0.62750415
   0.22461899  0.88925199  0.58705128
   0.25012215  0.74699705 -0.11456135
  -0.00518341  0.71110931  0.96816749
   0.66349086  0.03959713  0.08458740
   0.83006569  0.22144102  0.21715225
   0.58039554  0.29117492  0.00356608
   0.86876318  0.46051373  0.27441981
   0.00994468  0.47723291  0.11109510
   0.76325222  0.41939144  0.09986923
   0.68825529  0.21909671  0.37957579
   0.45687566  0.16752654  0.48383855
   0.69459950  0.07503476  0.55296043
   0.87199211  0.24816735  0.78325136
   0.63318146  0.34065172  0.54486982
   0.96311833  0.52226268  0.82097445
   1.11154287  0.56801845  0.58949039
   0.79077257  0.43242026  0.65999843
   0.73583628  0.09971186  0.90982458
   0.48293704  0.05953221  0.94412803
   0.53644581  0.54390236  0.05027407
   0.90304864  0.72516759  0.30601739
   0.61505569  0.80243570  0.05070553
   0.87790484  1.00628769  0.31731258
   0.95156812  0.87943429  0.16388583
   0.70156181  0.85718934  0.21983343
   0.78499113  0.58465577  0.45075672
   0.54087691  0.66758666  0.37491353
   0.54172758  0.60431055  0.55484476
   0.81996238  0.76378353  0.82089158
   0.66568358  0.84087404  0.47196969
   0.97671484  0.99435992  0.82044102
   1.00289469  0.85294326  0.67415845
   0.74904640  0.96386082  0.70339577
   0.76154208  0.61207946  0.96154099
   0.51614372  0.73169653  0.88486220
   0.73558319  0.78016794  0.62982544
   0.91877836  1.23497976  0.72229283
   1.02647800  0.27347830  0.15654450
   1.04267479  1.15920326  0.13914162
   0.34527594  0.10611514  0.62655539
   0.46817597  0.03736760  0.63151398
   0.42627663  1.26450600 -0.10311177
  -0.22607017  1.54551454  0.02147229
   0.72712764  0.44048849  0.85062332
   0.59454108  0.57237351  0.70235330
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814586    0.527057    0.192141
    -0.000000    9.779807    0.230366
    -0.000000    0.000000   13.807624
   Si   O    H 
    32    64    10
Direct configuration=  3718
   0.13894079  0.17008774  0.00007516
   0.34807580  0.10529023  0.40518297
   0.16672264  0.44691949  0.08752914
   0.38255294  0.34622615  0.25116717
   0.04810192  0.17500794  0.48930945
   0.36343437  0.06320176  0.87034535
   0.17940669  0.40034166  0.59619496
   0.37394535  0.39553963  0.76460978
   0.15706024  0.71588180 -0.01588036
   0.38853539  0.61572728  0.35954551
   0.10868528  0.91791022  0.14760439
   0.34763517  0.88542402  0.26793648
   0.13277959  0.62469236  0.48256107
   0.38208664  0.69039435  0.81461027
   0.06420709  0.88563236  0.56904598
   0.34755589  0.93212488  0.66553015
   0.61929804  0.12163761  0.98856633
   0.83655322  0.17389157  0.33034512
   0.60194939  0.39836324  0.09277383
   0.88975254  0.37546497  0.17912527
   0.62998062  0.20258412  0.49401160
   0.89803343  0.12022085  0.87267364
   0.60058191  0.46203523  0.62714462
   0.82700806  0.43870660  0.77101152
   0.57727215  0.68017102 -0.01659428
   0.90520434  0.57458647  0.35567163
   0.60136167  0.90795237  0.13832520
   0.85580572  0.86820694  0.25956320
   0.64101633  0.67611838  0.47022690
   0.89521785  0.65531036  0.88665912
   0.67720648  0.90953421  0.59433622
   0.88626707  0.89872885  0.74859998
   0.11448113  0.08887596  0.10419097
   0.34818935  0.20557226  0.30257591
   0.18835294  0.32118282  0.00517675
   0.36930967  0.46419954  0.33231175
   0.52854678  0.35187919  0.19376118
   0.25891831  0.36864015  0.17367694
   0.20042431  0.11743949  0.45173658
  -0.04705221  0.21700666  0.39658580
  -0.01673279  0.03261457  0.54020813
   0.37357941  0.24455645  0.84185345
   0.05761598  0.29027174  0.57234019
   0.39426033  0.51992011  0.83347628
   0.49602727  0.37026968  0.68858586
   0.21086307  0.38518387  0.72196041
   0.22877190  0.05657886 -0.06043886
  -0.01143302  0.18708150  0.94475453
   0.24694990  0.58029860  0.03486162
   0.35639933  0.72083748  0.25140635
   0.18110421  0.84073507  0.05805617
   0.37424636  0.94130478  0.37112785
   0.44722215  0.95407796  0.17987484
   0.19146882  0.93499557  0.24470273
   0.28499174  0.65172292  0.44513492
   0.06297491  0.53992938  0.39737413
   0.30693542  0.38807240  0.53127406
   0.39267891  0.74886364  0.70803395
   0.05764581  0.77939313  0.47895472
   0.35590318  0.96556005  0.78113872
   0.50783239  0.91820989  0.62697993
   0.22558649  0.88957085  0.58698628
   0.25017546  0.74705346 -0.11413697
  -0.00505558  0.71205500  0.96823723
   0.66346921  0.04054861  0.08525496
   0.82934529  0.22229503  0.21820074
   0.58288930  0.29061606  0.00179466
   0.86650244  0.46224790  0.27337910
   0.00994068  0.47882075  0.11003126
   0.76174056  0.41858603  0.10191981
   0.68730251  0.22066162  0.38026005
   0.45841936  0.16447346  0.48456225
   0.69474546  0.07634810  0.55419888
   0.87129788  0.24939382  0.78248104
   0.63316690  0.34244008  0.54688704
   0.96086176  0.52174563  0.82175211
   1.11267381  0.56826677  0.59024386
   0.79047090  0.43577041  0.65969955
   0.73660042  0.10011949  0.90935571
   0.48411787  0.05857887  0.94354943
   0.53742942  0.54484916  0.05105171
   0.90260498  0.72755482  0.30534329
   0.61367357  0.80347721  0.05007314
   0.87855740  1.00595140  0.31642178
   0.95071703  0.88005118  0.16284504
   0.70334199  0.85787141  0.22031037
   0.78561331  0.58631823  0.45123968
   0.54137110  0.66582724  0.37351462
   0.54044682  0.60449230  0.55564195
   0.82140486  0.76351251  0.82056095
   0.66469879  0.84045461  0.47091666
   0.97533988  0.99442919  0.82077772
   1.00276130  0.85264409  0.67456142
   0.75058052  0.96678205  0.70401818
   0.76193084  0.61017388  0.96192793
   0.51751814  0.72976703  0.88465250
   0.72914930  0.77614428  0.63472873
   0.91685086  1.22943013  0.72605387
   1.01920829  0.26768261  0.16202476
   1.04199862  1.16832043  0.13936914
   0.34947134  0.10115219  0.62948457
   0.49216316  0.03907096  0.63519496
   0.42949077  1.26230596 -0.10074721
  -0.22545791  1.54704986  0.01918681
   0.73278393  0.42990159  0.85160969
   0.60033417  0.56028529  0.70086006
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.815569    0.529426    0.193347
    -0.000000    9.780183    0.226665
    -0.000000    0.000000   13.806439
   Si   O    H 
    32    64    10
Direct configuration=  3719
   0.13898858  0.17003795  0.00033243
   0.34919210  0.10427685  0.40598597
   0.16630764  0.44708787  0.08710454
   0.38323090  0.34499219  0.25093650
   0.04876752  0.17497491  0.48975242
   0.36327697  0.06318821  0.87003601
   0.18031102  0.40149589  0.59627081
   0.37367403  0.39519708  0.76482877
   0.15641690  0.71434021 -0.01553100
   0.38878124  0.61461112  0.35990491
   0.10820111  0.91834916  0.14688293
   0.34667350  0.88566714  0.26825027
   0.13391733  0.62412933  0.48219904
   0.38260098  0.68927656  0.81475244
   0.06337630  0.88548038  0.56894542
   0.34726772  0.92973539  0.66738590
   0.61827112  0.12099946  0.98795608
   0.83810381  0.17301940  0.33096277
   0.60325204  0.39874502  0.09339407
   0.89131921  0.37453263  0.17895727
   0.62906152  0.20307557  0.49270232
   0.89716498  0.12006224  0.87161499
   0.60018429  0.46074230  0.62674852
   0.82745203  0.43822168  0.77043134
   0.57824569  0.68048197 -0.01635529
   0.90543755  0.57514015  0.35577932
   0.60134561  0.90786669  0.13829797
   0.85554259  0.86856747  0.25930097
   0.64099349  0.67448713  0.46976652
   0.89398463  0.65639738  0.88663583
   0.67758817  0.90901684  0.59481180
   0.88604257  0.89730102  0.74991108
   0.11602588  0.09034535  0.10183380
   0.34800979  0.20507293  0.30223550
   0.18707157  0.32229685  0.00529321
   0.36706126  0.46412193  0.33151547
   0.53000002  0.35070547  0.19456599
   0.25865193  0.37058836  0.17351685
   0.19936331  0.11853078  0.45312070
  -0.04614837  0.21694219  0.39767783
  -0.01495272  0.02995819  0.53917639
   0.37450006  0.24413445  0.84153033
   0.05680547  0.29022571  0.57315623
   0.39349247  0.51873564  0.83468981
   0.49641958  0.37013483  0.68902783
   0.21235628  0.38418013  0.72103290
   0.23097154  0.05845734 -0.06152197
  -0.01060354  0.18518435  0.94517102
   0.24731474  0.58023833  0.03479705
   0.35541362  0.72093952  0.25239553
   0.18005777  0.84043777  0.05733290
   0.37480001  0.94073603  0.37059883
   0.44840055  0.95347014  0.17912956
   0.19139480  0.93546902  0.24486599
   0.28315856  0.65269295  0.44413954
   0.06202183  0.54000897  0.39531961
   0.30862492  0.38923515  0.53027176
   0.39313737  0.75008191  0.70857602
   0.05823754  0.77972561  0.47898967
   0.35649057  0.96643870  0.78047271
   0.50746452  0.92088709  0.62677270
   0.22700007  0.89028084  0.58731577
   0.25026681  0.74651231 -0.11373020
  -0.00512574  0.71217039  0.96830034
   0.66343087  0.04125433  0.08651391
   0.82848345  0.22276999  0.21912162
   0.58561850  0.28937385  0.00003621
   0.86486105  0.46556835  0.27311636
   0.00884258  0.47983255  0.10916184
   0.76026911  0.41775869  0.10359244
   0.68675448  0.22191621  0.38093645
   0.46026991  0.16151719  0.48519673
   0.69436596  0.07719088  0.55570678
   0.87065006  0.24948130  0.78327150
   0.63322007  0.34445211  0.54830263
   0.95810832  0.52195720  0.82262040
   1.11320668  0.56839118  0.59071839
   0.79012760  0.43861849  0.65927665
   0.73819242  0.10034325  0.90869352
   0.48575312  0.05763144  0.94267748
   0.53834268  0.54590324  0.05203702
   0.90210221  0.72899888  0.30465911
   0.61148837  0.80423431  0.04895252
   0.87868971  1.00526017  0.31606147
   0.95014486  0.88095573  0.16179251
   0.70604357  0.85761181  0.22075491
   0.78822418  0.58691229  0.45144115
   0.54210360  0.66355578  0.37251298
   0.53972157  0.60390520  0.55613596
   0.82249791  0.76386916  0.81968683
   0.66295579  0.84058484  0.47055209
   0.97341201  0.99528101  0.82132315
   1.00309793  0.85185826  0.67473885
   0.75180589  0.96864456  0.70479160
   0.76197098  0.60803694  0.96249903
   0.51870172  0.72850572  0.88404345
   0.72088109  0.76684047  0.63828020
   0.92351432  1.21944369  0.71848883
   1.01188525  0.26359006  0.16651359
   1.04334721  1.17784998  0.14168511
   0.35349376  0.08832872  0.63490571
   0.51024325  0.03676472  0.63616155
   0.42994572  1.26330104 -0.10028686
  -0.22478176  1.54690957  0.01556948
   0.73777195  0.42314079  0.85445421
   0.60390150  0.55524907  0.70275871
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816728    0.531230    0.194704
    -0.000000    9.780373    0.222766
    -0.000000    0.000000   13.805450
   Si   O    H 
    32    64    10
Direct configuration=  3720
   0.13890377  0.16925768  0.00016613
   0.34999054  0.10408630  0.40669388
   0.16666899  0.44726472  0.08713780
   0.38382797  0.34356630  0.25090344
   0.04901845  0.17532305  0.49027298
   0.36250881  0.06376711  0.86997690
   0.18133377  0.40221041  0.59636313
   0.37296961  0.39426434  0.76469618
   0.15649663  0.71263761 -0.01514467
   0.38896330  0.61381415  0.36006125
   0.10773084  0.91835332  0.14640152
   0.34588906  0.88613609  0.26831983
   0.13439441  0.62369211  0.48203205
   0.38312120  0.68812850  0.81532003
   0.06303688  0.88527246  0.56889610
   0.34753054  0.92693815  0.66906967
   0.61761783  0.12044039  0.98769065
   0.83919753  0.17174632  0.33117999
   0.60311010  0.39866890  0.09346058
   0.89250308  0.37400310  0.17856447
   0.62781139  0.20289893  0.49142072
   0.89631210  0.12021423  0.87129093
   0.60011604  0.45957130  0.62640653
   0.82800888  0.43804445  0.76985919
   0.57908534  0.68035889 -0.01601920
   0.90570500  0.57550696  0.35565364
   0.60180577  0.90764412  0.13868098
   0.85475549  0.86937904  0.25876142
   0.64083350  0.67324847  0.46928056
   0.89313525  0.65770974  0.88694424
   0.67881686  0.90799826  0.59510708
   0.88630904  0.89593307  0.75101968
   0.11713532  0.09185266  0.09957329
   0.34847715  0.20338790  0.30270090
   0.18643089  0.32330861  0.00526664
   0.36526194  0.46402138  0.33087501
   0.53108734  0.34934216  0.19497856
   0.25885524  0.37274505  0.17368551
   0.19906978  0.11982319  0.45417132
  -0.04440977  0.21656988  0.39899848
  -0.01292055  0.02727325  0.53766271
   0.37563480  0.24391667  0.84103622
   0.05525988  0.28955052  0.57357106
   0.39241723  0.51703846  0.83585939
   0.49640745  0.36928623  0.68904572
   0.21494378  0.38203144  0.72008278
   0.23277805  0.06025985 -0.06267557
  -0.00921661  0.18310453  0.94580388
   0.24741399  0.57953446  0.03526584
   0.35436654  0.72060841  0.25359331
   0.17818646  0.83986868  0.05657634
   0.37502817  0.94049318  0.37060666
   0.44927736  0.95241578  0.17859915
   0.19041558  0.93618642  0.24542316
   0.28211368  0.65400724  0.44394818
   0.06053654  0.54001004  0.39333365
   0.31135012  0.39073284  0.52909311
   0.39238672  0.75115156  0.70944661
   0.05865751  0.78026200  0.47912011
   0.35706913  0.96747703  0.78048732
   0.50762770  0.92445244  0.62636114
   0.22840125  0.89201429  0.58814038
   0.25026727  0.74627322 -0.11330358
  -0.00648090  0.71240860  0.96777364
   0.66371974  0.04233011  0.08812195
   0.82760054  0.22350119  0.22008898
   0.58865981  0.28893163 -0.00154124
   0.86370357  0.46926779  0.27259122
   0.00743912  0.48124875  0.10852695
   0.75984977  0.41729275  0.10486103
   0.68725287  0.22334649  0.38137672
   0.46240723  0.15901367  0.48578986
   0.69348016  0.07760961  0.55770419
   0.87032656  0.24982198  0.78382764
   0.63335293  0.34539624  0.54892910
   0.95548059  0.52115824  0.82324334
   1.11341897  0.56812933  0.59135038
   0.78974436  0.44122983  0.65885527
   0.73989112  0.10004271  0.90791045
   0.48835729  0.05665484  0.94192747
   0.54008566  0.54729391  0.05281818
   0.90219463  0.73024082  0.30416239
   0.60957702  0.80535779  0.04845350
   0.87778061  1.00556187  0.31627091
   0.94996246  0.88184173  0.16063244
   0.70843631  0.85697925  0.22136739
   0.79065723  0.58741963  0.45135845
   0.54343630  0.66137204  0.37127704
   0.54018387  0.60333760  0.55584969
   0.82353346  0.76468720  0.81892080
   0.66187744  0.84101445  0.47087200
   0.97103651  0.99567780  0.82181913
   1.00376841  0.85110275  0.67523063
   0.75232237  0.97107268  0.70514014
   0.76184196  0.60716625  0.96242928
   0.51929529  0.72762266  0.88285392
   0.71373169  0.75804803  0.63997601
   0.92996364  1.21726243  0.71924427
   1.00819085  0.26808138  0.17086947
   1.04767192  1.18491453  0.14311781
   0.35822215  0.07565850  0.63984010
   0.52202308  0.03101932  0.63547635
   0.42725531  1.26755117 -0.10077682
  -0.22243579  1.53959932  0.01626611
   0.74450227  0.41716688  0.85677303
   0.60774301  0.55781013  0.71252939
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817441    0.533109    0.195755
    -0.000000    9.780744    0.218903
    -0.000000    0.000000   13.804035
   Si   O    H 
    32    64    10
Direct configuration=  3721
   0.13905221  0.16866197 -0.00050409
   0.35099321  0.10422260  0.40771738
   0.16792545  0.44708456  0.08720277
   0.38382235  0.34246778  0.24999049
   0.04924946  0.17562543  0.49054931
   0.36258572  0.06377600  0.87037696
   0.18210475  0.40290586  0.59689908
   0.37136862  0.39314187  0.76444008
   0.15687171  0.71147188 -0.01436679
   0.38897024  0.61313874  0.36014226
   0.10754769  0.91850718  0.14522631
   0.34482089  0.88619737  0.26838338
   0.13444820  0.62253716  0.48177156
   0.38340727  0.68686703  0.81648881
   0.06298014  0.88461250  0.56856574
   0.34752155  0.92436513  0.66996291
   0.61716254  0.11932995  0.98776991
   0.84011518  0.17083736  0.33076999
   0.60338579  0.39809332  0.09344862
   0.89381268  0.37391053  0.17829407
   0.62659859  0.20259432  0.49047880
   0.89526555  0.12091602  0.87091804
   0.60034678  0.45933273  0.62621916
   0.82783043  0.43739426  0.76944095
   0.58014557  0.68001376 -0.01557346
   0.90575416  0.57620453  0.35538330
   0.60131775  0.90776233  0.13930982
   0.85439640  0.87025143  0.25811891
   0.64133683  0.67214867  0.46928668
   0.89279572  0.65846196  0.88755835
   0.68027772  0.90685426  0.59549002
   0.88707824  0.89507731  0.75173212
   0.11806965  0.09353492  0.09780114
   0.34981614  0.20113406  0.30388575
   0.18707768  0.32378832  0.00498244
   0.36340330  0.46338775  0.33057836
   0.53258793  0.34823402  0.19521048
   0.25911894  0.37412753  0.17368215
   0.19936078  0.11996665  0.45572143
  -0.04191316  0.21729972  0.39979779
  -0.01108541  0.02584448  0.53631383
   0.37684968  0.24387728  0.84055774
   0.05384087  0.28987632  0.57380252
   0.39039407  0.51658558  0.83688980
   0.49610528  0.36831850  0.68968196
   0.21741457  0.38008066  0.71840834
   0.23382037  0.06221399 -0.06361587
  -0.00755604  0.18069619  0.94615308
   0.24691839  0.57896894  0.03604330
   0.35370176  0.71993012  0.25453456
   0.17677003  0.83944840  0.05558417
   0.37573063  0.94064016  0.37148538
   0.44875696  0.95127773  0.17790467
   0.18942845  0.93706173  0.24600031
   0.28139476  0.65612888  0.44333990
   0.05921535  0.54039131  0.39150433
   0.31309441  0.39212948  0.52758648
   0.39205700  0.75241622  0.70981054
   0.05857096  0.78057293  0.48014640
   0.35786217  0.96866071  0.78114619
   0.50871641  0.92811844  0.62531510
   0.23030067  0.89353900  0.58918829
   0.25087122  0.74607201 -0.11284708
  -0.00766449  0.71239716  0.96642126
   0.66405942  0.04301505  0.08999649
   0.82664598  0.22393589  0.22080756
   0.59051815  0.28869708 -0.00276686
   0.86194957  0.47180218  0.27276371
   0.00622783  0.48359348  0.10814849
   0.76006378  0.41699066  0.10684024
   0.68883009  0.22479335  0.38144731
   0.46439992  0.15683253  0.48622708
   0.69230077  0.07797518  0.55940751
   0.87063712  0.24975893  0.78376191
   0.63332518  0.34585211  0.54870661
   0.95240335  0.52184604  0.82356634
   1.11412269  0.56757719  0.59175571
   0.78933399  0.44397476  0.65832567
   0.74182857  0.09949671  0.90731330
   0.49065720  0.05506883  0.94092273
   0.54132134  0.54885278  0.05333347
   0.90207445  0.73014529  0.30453967
   0.60806700  0.80653187  0.04796555
   0.87683888  1.00649562  0.31705915
   0.95034680  0.88267959  0.15926563
   0.70930755  0.85682210  0.22184726
   0.79335515  0.58752920  0.45098376
   0.54470998  0.65954526  0.36997513
   0.54092217  0.60333763  0.55572652
   0.82383346  0.76504020  0.81753689
   0.66176747  0.84140650  0.47178998
   0.96826628  0.99658876  0.82218112
   1.00469916  0.85014141  0.67591009
   0.75273169  0.97289000  0.70529898
   0.76103685  0.60726496  0.96230395
   0.51880203  0.72703453  0.88125321
   0.70934143  0.75501760  0.64026103
   0.92848725  1.22013378  0.72648318
   1.01163821  0.27321359  0.17377126
   1.05119527  1.18642601  0.14270169
   0.35760637  0.06958972  0.64508494
   0.52511374  0.02254237  0.63431068
   0.42177095  1.27409522 -0.10091429
  -0.21970260  1.53132679  0.01663962
   0.74776678  0.41562118  0.86105023
   0.60842730  0.55914720  0.72079845
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817954    0.534502    0.196754
    -0.000000    9.781586    0.215127
    -0.000000    0.000000   13.802833
   Si   O    H 
    32    64    10
Direct configuration=  3722
   0.13962801  0.16781582 -0.00162092
   0.35155145  0.10463088  0.40882333
   0.16908718  0.44668475  0.08717014
   0.38323278  0.34154945  0.24889524
   0.04979802  0.17526963  0.49096197
   0.36350321  0.06411974  0.87075289
   0.18278611  0.40321838  0.59713657
   0.37013044  0.39206839  0.76401622
   0.15737360  0.71025651 -0.01358873
   0.38911839  0.61300558  0.35974868
   0.10744611  0.91900646  0.14440512
   0.34448367  0.88603428  0.26815651
   0.13453704  0.62173302  0.48145377
   0.38432663  0.68560689  0.81744986
   0.06375098  0.88438305  0.56849182
   0.34705084  0.92239589  0.67019150
   0.61691543  0.11849616  0.98789444
   0.83992355  0.17034701  0.33032922
   0.60377369  0.39806964  0.09344023
   0.89517335  0.37401694  0.17809864
   0.62522734  0.20225991  0.48987700
   0.89385466  0.12196590  0.87062541
   0.60021363  0.45977802  0.62614767
   0.82776316  0.43644453  0.76923824
   0.58104240  0.67928825 -0.01512861
   0.90577829  0.57691406  0.35541685
   0.60098277  0.90735728  0.13999858
   0.85453833  0.87149832  0.25753660
   0.64212967  0.67132580  0.46926603
   0.89263764  0.65848891  0.88787822
   0.68194978  0.90556400  0.59546474
   0.88722816  0.89409731  0.75249045
   0.11817447  0.09444983  0.09695122
   0.35169377  0.19848412  0.30535554
   0.18788924  0.32342845  0.00497666
   0.36142217  0.46192206  0.33018795
   0.53467573  0.34788999  0.19539456
   0.25901001  0.37482089  0.17336129
   0.20026116  0.12087023  0.45706564
  -0.03946684  0.21853183  0.40065541
  -0.00907900  0.02504366  0.53539062
   0.37801974  0.24465895  0.84062564
   0.05393219  0.29067694  0.57422639
   0.38832376  0.51614412  0.83778603
   0.49555732  0.36699307  0.69032848
   0.21961273  0.37791075  0.71650097
   0.23391386  0.06383174 -0.06460795
  -0.00541552  0.17891298  0.94665125
   0.24564776  0.57932200  0.03612814
   0.35357616  0.71977958  0.25582118
   0.17454706  0.83988906  0.05508985
   0.37666754  0.94025074  0.37224156
   0.44731082  0.95018697  0.17783971
   0.18808853  0.93790183  0.24629505
   0.28138401  0.65871501  0.44273491
   0.05790938  0.54057834  0.39014762
   0.31380498  0.39350070  0.52640889
   0.39110107  0.75390916  0.71041174
   0.05765621  0.78095275  0.48125559
   0.35840632  0.97047886  0.78197074
   0.51012352  0.93084087  0.62455567
   0.23185119  0.89499338  0.58952325
   0.25200089  0.74634071 -0.11292314
  -0.00830556  0.71208623  0.96489098
   0.66392762  0.04418964  0.09146419
   0.82555886  0.22480192  0.22135140
   0.59266442  0.28875994 -0.00383684
   0.86022779  0.47459587  0.27299858
   0.00500114  0.48614169  0.10787696
   0.76092469  0.41689300  0.10848075
   0.68996822  0.22594133  0.38106078
   0.46611661  0.15480763  0.48664669
   0.69175520  0.07801429  0.56104502
   0.87130023  0.24923731  0.78413160
   0.63364944  0.34500089  0.54864272
   0.94947514  0.52133158  0.82398347
   1.11511694  0.56681592  0.59189101
   0.78901608  0.44574264  0.65789586
   0.74293292  0.09845667  0.90674931
   0.49276595  0.05457025  0.94000499
   0.54264549  0.54958008  0.05332525
   0.90172838  0.72941680  0.30540339
   0.60627474  0.80718552  0.04779639
   0.87569147  1.00744343  0.31802067
   0.95096101  0.88273236  0.15812910
   0.70829975  0.85699987  0.22203143
   0.79607279  0.58735480  0.45064942
   0.54510025  0.65838511  0.36901763
   0.54199017  0.60212247  0.55544050
   0.82464874  0.76521239  0.81613657
   0.66213409  0.84179107  0.47326223
   0.96561048  0.99706537  0.82292848
   1.00513405  0.84884259  0.67624096
   0.75316785  0.97480474  0.70547886
   0.76098275  0.60647559  0.96197833
   0.51734657  0.72562639  0.88000339
   0.70235866  0.75778619  0.63827610
   0.92602979  1.22637503  0.73621442
   1.02025295  0.27719806  0.17615595
   1.05413572  1.18914883  0.14243271
   0.35342071  0.07224888  0.64720352
   0.52426527  0.02448095  0.63538224
   0.41950311  1.28064584 -0.10033617
  -0.21799016  1.52634625  0.01427648
   0.74989978  0.41905382  0.86130676
   0.60713558  0.55542217  0.72549397
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818403    0.535610    0.197582
    -0.000000    9.782769    0.211615
    -0.000000    0.000000   13.801651
   Si   O    H 
    32    64    10
Direct configuration=  3723
   0.14013090  0.16763202 -0.00313700
   0.35222305  0.10508057  0.41001859
   0.17041456  0.44672342  0.08716117
   0.38354815  0.34041414  0.24782704
   0.05032437  0.17443182  0.49129397
   0.36461615  0.06402404  0.87034017
   0.18357661  0.40338932  0.59728100
   0.36886812  0.39120941  0.76367098
   0.15794658  0.70844006 -0.01302855
   0.38956196  0.61306638  0.35923304
   0.10734316  0.92003643  0.14390412
   0.34408897  0.88613225  0.26766160
   0.13466058  0.62148442  0.48069532
   0.38507699  0.68493439  0.81822124
   0.06407158  0.88397008  0.56873420
   0.34606671  0.92030786  0.67043892
   0.61692598  0.11766577  0.98852608
   0.83986176  0.16984018  0.33042806
   0.60395520  0.39815853  0.09305246
   0.89663031  0.37448946  0.17782107
   0.62377602  0.20205280  0.48954635
   0.89133788  0.12362494  0.87086685
   0.59937475  0.46089268  0.62617787
   0.82756045  0.43598099  0.76942734
   0.58235187  0.67848288 -0.01518152
   0.90548192  0.57699593  0.35565332
   0.60029557  0.90684202  0.14066657
   0.85503721  0.87192897  0.25692949
   0.64215387  0.66997666  0.46899424
   0.89192374  0.65852804  0.88774565
   0.68353688  0.90469646  0.59543771
   0.88681927  0.89373766  0.75293856
   0.11736477  0.09433490  0.09722140
   0.35292697  0.19633225  0.30667095
   0.18816072  0.32220788  0.00462356
   0.35944068  0.46021607  0.32985105
   0.53697624  0.34789739  0.19573062
   0.25957870  0.37520365  0.17316769
   0.20140594  0.12101551  0.45838780
  -0.03772142  0.21961380  0.40101784
  -0.00686521  0.02591171  0.53451824
   0.37949322  0.24491759  0.84140145
   0.05312587  0.29161388  0.57461383
   0.38567454  0.51498765  0.83826082
   0.49445119  0.36626274  0.69149869
   0.22148948  0.37621423  0.71484905
   0.23391017  0.06565594 -0.06492034
  -0.00422275  0.17752248  0.94737289
   0.24478881  0.57950229  0.03641607
   0.35377920  0.71910119  0.25610149
   0.17256633  0.83989088  0.05420504
   0.37793173  0.94062766  0.37252322
   0.44544202  0.94929277  0.17805229
   0.18708392  0.93920180  0.24617349
   0.28081824  0.66121418  0.44157106
   0.05747854  0.54040125  0.38868293
   0.31394819  0.39472283  0.52598034
   0.39055590  0.75567405  0.71090066
   0.05765572  0.78080745  0.48249389
   0.35927271  0.97316386  0.78288535
   0.51178932  0.93309550  0.62359110
   0.23337276  0.89619571  0.58994759
   0.25244811  0.74662512 -0.11347530
  -0.00863636  0.71182953  0.96345483
   0.66454460  0.04669708  0.09246544
   0.82438704  0.22596720  0.22128627
   0.59440149  0.28890765 -0.00442865
   0.85924799  0.47750991  0.27292734
   0.00488353  0.48771745  0.10793766
   0.76132881  0.41741646  0.10980502
   0.69056918  0.22717646  0.38047337
   0.46760660  0.15179862  0.48625033
   0.69162709  0.07861037  0.56243753
   0.87212755  0.24865448  0.78517657
   0.63343933  0.34391414  0.54804085
   0.94661798  0.52060620  0.82451398
   1.11644291  0.56549068  0.59207061
   0.78816780  0.44675766  0.65789098
   0.74356418  0.09704482  0.90715376
   0.49443115  0.05308257  0.93923868
   0.54327760  0.54907129  0.05334653
   0.90148521  0.72830757  0.30613707
   0.60529294  0.80795322  0.04770602
   0.87491278  1.00890623  0.31923568
   0.95205223  0.88281552  0.15697365
   0.70567535  0.85764045  0.22259199
   0.79792696  0.58756469  0.45035068
   0.54442639  0.65677075  0.36888095
   0.54313268  0.60038055  0.55562792
   0.82512180  0.76555290  0.81424107
   0.66191852  0.84215941  0.47533933
   0.96335863  0.99710221  0.82343977
   1.00558101  0.84730045  0.67677213
   0.75366389  0.97612846  0.70541818
   0.76038875  0.60613259  0.96213687
   0.51597687  0.72444487  0.87955162
   0.69461443  0.76139544  0.63357609
   0.94814840  1.22508950  0.72385784
   1.03080825  0.27930343  0.17882320
   1.05799788  1.19339959  0.14379683
   0.34702927  0.08451143  0.64735593
   0.51871908  0.03941545  0.63581014
   0.42168765  1.28065552 -0.10102594
  -0.21522725  1.52517660  0.01115710
   0.74777744  0.42442236  0.86077178
   0.60590246  0.55279411  0.72706634
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818932    0.536540    0.198476
    -0.000000    9.783777    0.207937
    -0.000000    0.000000   13.800844
   Si   O    H 
    32    64    10
Direct configuration=  3724
   0.14063936  0.16723530 -0.00485248
   0.35332052  0.10536034  0.41125273
   0.17105110  0.44663148  0.08699792
   0.38390957  0.33919566  0.24749015
   0.05090571  0.17403668  0.49208056
   0.36517627  0.06418441  0.86963470
   0.18431507  0.40285814  0.59717969
   0.36780806  0.39012773  0.76340700
   0.15891882  0.70614400 -0.01269217
   0.38966145  0.61339780  0.35892013
   0.10740101  0.92145417  0.14311669
   0.34457095  0.88597149  0.26732561
   0.13444587  0.62121338  0.47992857
   0.38609000  0.68474030  0.81897746
   0.06523997  0.88305137  0.56913949
   0.34539887  0.91849995  0.67020506
   0.61777809  0.11696592  0.98860005
   0.83957188  0.17004871  0.33014773
   0.60428143  0.39780423  0.09285882
   0.89798215  0.37548562  0.17793732
   0.62227627  0.20163528  0.48932901
   0.88921158  0.12564344  0.87086051
   0.59882066  0.46183525  0.62638932
   0.82750056  0.43587898  0.76947030
   0.58335925  0.67774415 -0.01539518
   0.90462628  0.57691784  0.35575404
   0.59939801  0.90604009  0.14110589
   0.85614751  0.87200033  0.25676389
   0.64162697  0.66904686  0.46889347
   0.89027624  0.65756778  0.88765227
   0.68481354  0.90433629  0.59537915
   0.88643893  0.89326090  0.75306587
   0.11716905  0.09317544  0.09836958
   0.35393945  0.19443753  0.30784823
   0.18906579  0.32084034  0.00442901
   0.35796841  0.45938528  0.32963779
   0.53852715  0.34756562  0.19549774
   0.26006562  0.37612432  0.17329454
   0.20261796  0.12133072  0.45958790
  -0.03628884  0.22094079  0.40069942
  -0.00495323  0.02717451  0.53306038
   0.38049359  0.24459722  0.84256539
   0.05259313  0.29381187  0.57525613
   0.38287326  0.51340125  0.83885698
   0.49304016  0.36456542  0.69293404
   0.22286746  0.37433528  0.71357439
   0.23362610  0.06737039 -0.06517794
  -0.00399300  0.17634092  0.94791560
   0.24363564  0.57890443  0.03664962
   0.35403797  0.71934434  0.25662268
   0.17015444  0.83988239  0.05337366
   0.37901408  0.94013583  0.37326772
   0.44373798  0.94870653  0.17831442
   0.18687590  0.93973918  0.24587018
   0.28039316  0.66343590  0.44053256
   0.05848995  0.53972862  0.38798231
   0.31332708  0.39604133  0.52544289
   0.38976326  0.75688393  0.71140951
   0.05784521  0.78027164  0.48361914
   0.35902087  0.97567268  0.78362105
   0.51280848  0.93589896  0.62300074
   0.23426636  0.89748136  0.59029489
   0.25276829  0.74585875 -0.11407607
  -0.00843045  0.71175114  0.96190051
   0.66510529  0.04827111  0.09358985
   0.82354160  0.22686423  0.22125533
   0.59601317  0.28940589 -0.00465634
   0.85909423  0.48007792  0.27293638
   0.00514341  0.48957654  0.10815275
   0.76172436  0.41759195  0.11093504
   0.69127247  0.22857901  0.38005730
   0.46849229  0.14902877  0.48586914
   0.69183468  0.07850616  0.56366447
   0.87415335  0.24800410  0.78503605
   0.63352315  0.34257894  0.54739894
   0.94325908  0.51986231  0.82480765
   1.11704481  0.56440620  0.59199829
   0.78783220  0.44778532  0.65779748
   0.74386791  0.09496100  0.90741912
   0.49614963  0.05106720  0.93859954
   0.54465014  0.54890043  0.05295121
   0.90136445  0.72704645  0.30660319
   0.60344260  0.80919239  0.04756233
   0.87427461  1.00934939  0.32036814
   0.95269887  0.88294917  0.15618506
   0.70249570  0.85738176  0.22282205
   0.79897304  0.58695279  0.45028385
   0.54339002  0.65516435  0.36854422
   0.54451934  0.59935857  0.55600101
   0.82419103  0.76660172  0.81225227
   0.66174999  0.84279255  0.47741698
   0.96227744  0.99582892  0.82318738
   1.00669166  0.84555551  0.67712291
   0.75464258  0.97701000  0.70574496
   0.75907268  0.60617308  0.96257307
   0.51488117  0.72381649  0.87980701
   0.69142465  0.75989809  0.62767397
   0.95716110  1.22837037  0.71643451
   1.03876592  0.28241931  0.17970155
   1.06483758  1.19608335  0.14455994
   0.34352169  0.09455824  0.64612687
   0.50755321  0.04912934  0.63457310
   0.42728447  1.28400385 -0.10247405
  -0.21519136  1.52457848  0.00822698
   0.74268880  0.42856036  0.85621382
   0.60090012  0.54775543  0.72691799
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819483    0.537099    0.199073
    -0.000000    9.784815    0.204583
    -0.000000    0.000000   13.800224
   Si   O    H 
    32    64    10
Direct configuration=  3725
   0.14093514  0.16696164 -0.00655018
   0.35480138  0.10568973  0.41202270
   0.17147902  0.44644939  0.08698532
   0.38456374  0.33823431  0.24757183
   0.05168825  0.17358030  0.49278165
   0.36603923  0.06486114  0.86923616
   0.18469780  0.40305607  0.59718203
   0.36739925  0.38929192  0.76278895
   0.16009118  0.70515044 -0.01312299
   0.38954693  0.61391152  0.35852703
   0.10753455  0.92364508  0.14250865
   0.34507582  0.88494596  0.26698972
   0.13465239  0.62095108  0.47966085
   0.38683349  0.68432902  0.81946911
   0.06693432  0.88242694  0.56978652
   0.34501861  0.91659936  0.66997933
   0.61862604  0.11672266  0.98911824
   0.83929648  0.17071071  0.33033289
   0.60486331  0.39728517  0.09304046
   0.89892388  0.37614735  0.17854090
   0.62141467  0.20053275  0.48947763
   0.88785105  0.12743374  0.87064847
   0.59894724  0.46299034  0.62683921
   0.82766728  0.43529078  0.76937582
   0.58513891  0.67691569 -0.01572646
   0.90338364  0.57718926  0.35538765
   0.59856386  0.90570417  0.14166925
   0.85766490  0.87190085  0.25656808
   0.64128998  0.66831917  0.46902619
   0.88905891  0.65576466  0.88681486
   0.68573216  0.90487050  0.59501929
   0.88597489  0.89407199  0.75265936
   0.11649572  0.09182932  0.09979647
   0.35444293  0.19349005  0.30833697
   0.19030628  0.32040632  0.00428574
   0.35749390  0.45832782  0.32975981
   0.53996301  0.34731024  0.19573062
   0.25989279  0.37565017  0.17333269
   0.20356019  0.12086647  0.46090373
  -0.03556741  0.22210885  0.40017277
  -0.00294388  0.02779150  0.53162393
   0.38182657  0.24403208  0.84390830
   0.05243326  0.29540272  0.57595069
   0.38008873  0.51213849  0.83999963
   0.49220128  0.36262655  0.69350212
   0.22431312  0.37267463  0.71220831
   0.23356914  0.06925630 -0.06651509
  -0.00508514  0.17563128  0.94813930
   0.24355734  0.57809936  0.03636933
   0.35474697  0.71878317  0.25711487
   0.16840156  0.83975656  0.05252975
   0.37983283  0.94000085  0.37383738
   0.44240436  0.94907351  0.17834597
   0.18674643  0.94006776  0.24565508
   0.28083153  0.66539895  0.43920918
   0.05907604  0.53955738  0.38729068
   0.31250391  0.39769455  0.52541768
   0.39017540  0.75729222  0.71200632
   0.05813654  0.77946696  0.48427847
   0.35855132  0.97828432  0.78451567
   0.51300674  0.93943414  0.62273573
   0.23333500  0.89845084  0.59055912
   0.25179299  0.74457543 -0.11361258
  -0.00804340  0.71207336  0.96103281
   0.66593018  0.04920189  0.09394475
   0.82364834  0.22767310  0.22108170
   0.59744553  0.28960503 -0.00417252
   0.85972680  0.48198227  0.27284565
   0.00564909  0.49079574  0.10870445
   0.76178699  0.41787603  0.11140900
   0.69189833  0.22936925  0.37981302
   0.46858437  0.14661166  0.48559096
   0.69194259  0.07804289  0.56447217
   0.87586956  0.24715220  0.78382094
   0.63341186  0.34090995  0.54717367
   0.94016607  0.51958014  0.82502870
   1.11717381  0.56313796  0.59194838
   0.78797323  0.44886844  0.65767922
   0.74428203  0.09384120  0.90754598
   0.49730151  0.04908777  0.93780245
   0.54610785  0.54912590  0.05275689
   0.90139167  0.72696002  0.30678250
   0.60187809  0.81073886  0.04696535
   0.87287183  1.00899917  0.32112929
   0.95294628  0.88289555  0.15709540
   0.70021061  0.85713842  0.22287664
   0.79916764  0.58602012  0.45001876
   0.54281788  0.65335199  0.36892265
   0.54655000  0.59899545  0.55632833
   0.82327092  0.76829080  0.81105763
   0.66202524  0.84244987  0.47891006
   0.96222381  0.99452391  0.82285470
   1.00748082  0.84354657  0.67749774
   0.75490129  0.97805224  0.70578052
   0.75819810  0.60692174  0.96240271
   0.51443743  0.72263950  0.88065935
   0.69311869  0.76051445  0.62778762
   0.95409598  1.23458686  0.71518048
   1.04359240  0.28586499  0.17815195
   1.06896052  1.19476695  0.14780342
   0.33927165  0.09932711  0.64705898
   0.49851744  0.04642474  0.63275204
   0.43144206  1.28669331 -0.10278747
  -0.21474122  1.52352333  0.00595122
   0.73468115  0.43337135  0.85094920
   0.59636422  0.54413583  0.72590050
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.819900    0.537530    0.199832
    -0.000000    9.785702    0.201329
    -0.000000    0.000000   13.799963
   Si   O    H 
    32    64    10
Direct configuration=  3726
   0.14082268  0.16720984 -0.00834529
   0.35630365  0.10629273  0.41230795
   0.17163167  0.44545860  0.08672288
   0.38503321  0.33726679  0.24753678
   0.05259800  0.17294786  0.49308273
   0.36775504  0.06629955  0.86909688
   0.18468544  0.40334881  0.59693744
   0.36679215  0.38902481  0.76199435
   0.16119615  0.70433458 -0.01374656
   0.38934546  0.61478951  0.35805192
   0.10777815  0.92599844  0.14202078
   0.34530278  0.88378303  0.26634031
   0.13489247  0.62113735  0.47954946
   0.38693060  0.68363649  0.81987586
   0.06886867  0.88288209  0.57020493
   0.34509571  0.91517442  0.67003360
   0.62031561  0.11616738  0.98958116
   0.83929908  0.17173415  0.33047151
   0.60556744  0.39713830  0.09356909
   0.89950425  0.37701380  0.17942599
   0.62040142  0.19883150  0.48964460
   0.88629169  0.12921323  0.87048064
   0.59856771  0.46433764  0.62758758
   0.82796305  0.43393067  0.76939517
   0.58639540  0.67580152 -0.01617052
   0.90212689  0.57747881  0.35530941
   0.59755443  0.90550357  0.14222207
   0.85874764  0.87216285  0.25634504
   0.64096403  0.66788209  0.46907772
   0.88789077  0.65467407  0.88618342
   0.68641826  0.90563134  0.59439682
   0.88529769  0.89485050  0.75213683
   0.11610023  0.09032140  0.10130749
   0.35552405  0.19288273  0.30857500
   0.19021431  0.32079708  0.00417801
   0.35783432  0.45734291  0.32970967
   0.54002796  0.34638968  0.19506662
   0.26029367  0.37604833  0.17384060
   0.20525119  0.12147295  0.46244710
  -0.03479929  0.22328504  0.39986202
  -0.00068364  0.02874073  0.53024643
   0.38327336  0.24283407  0.84533274
   0.05296906  0.29750616  0.57653511
   0.37630994  0.51095921  0.84080506
   0.49161615  0.36069708  0.69449962
   0.22580687  0.37224093  0.71080490
   0.23379307  0.07041966 -0.06787063
  -0.00749212  0.17548481  0.94797161
   0.24249996  0.57714189  0.03649700
   0.35495030  0.71833477  0.25768952
   0.16618543  0.83991587  0.05143426
   0.38209278  0.94010543  0.37412140
   0.44060398  0.94914793  0.17822446
   0.18620047  0.93950722  0.24514132
   0.28175001  0.66643602  0.43772114
   0.06012477  0.53933258  0.38708497
   0.31153771  0.39862482  0.52558577
   0.39015950  0.75686065  0.71235973
   0.05944572  0.77897237  0.48489454
   0.35791618  0.97956237  0.78484064
   0.51203395  0.94419404  0.62301501
   0.23252492  0.89914437  0.59073010
   0.25047225  0.74336298 -0.11280605
  -0.00764618  0.71157004  0.96050589
   0.66665124  0.04956351  0.09392865
   0.82469089  0.22959886  0.22115931
   0.59870868  0.28934407 -0.00364630
   0.85987255  0.48347690  0.27270395
   0.00632945  0.49188320  0.10942058
   0.76291285  0.41904579  0.11121296
   0.69290997  0.23001499  0.37962604
   0.46903764  0.14499410  0.48498552
   0.69230677  0.07740371  0.56540402
   0.87800358  0.24722500  0.78202792
   0.63285249  0.33970043  0.54676859
   0.93783901  0.51947376  0.82500225
   1.11678948  0.56207573  0.59179086
   0.78757109  0.45013888  0.65773107
   0.74420118  0.09218488  0.90792676
   0.49805489  0.04722428  0.93718926
   0.54635199  0.54956773  0.05287850
   0.90036802  0.72762538  0.30726578
   0.60070296  0.81237186  0.04629448
   0.87133895  1.00795866  0.32213173
   0.95331126  0.88195365  0.15815962
   0.69798347  0.85598786  0.22335033
   0.79921282  0.58515531  0.44970665
   0.54287422  0.65158337  0.36922496
   0.54825342  0.59841410  0.55708028
   0.82179193  0.76905991  0.81049549
   0.66200307  0.84196971  0.48009994
   0.96103585  0.99275639  0.82282862
   1.00879820  0.84093573  0.67797830
   0.75579074  0.97848122  0.70601552
   0.75684224  0.60719752  0.96203001
   0.51473860  0.72183071  0.88160091
   0.69640061  0.75986400  0.62938849
   0.94618324  1.24207211  0.71804835
   1.04966221  0.28675008  0.17598715
   1.06896860  1.19222053  0.15054517
   0.33589879  0.09944338  0.64691947
   0.48911999  0.03656152  0.63058975
   0.43593043  1.28789336 -0.10469769
  -0.21456267  1.52418677  0.00319355
   0.72112858  0.43703211  0.84536746
   0.58793721  0.54480471  0.72233186
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820333    0.537684    0.200612
    -0.000000    9.787240    0.198109
    -0.000000    0.000000   13.799580
   Si   O    H 
    32    64    10
Direct configuration=  3727
   0.14059927  0.16762206 -0.01021362
   0.35745344  0.10694599  0.41226384
   0.17134359  0.44506175  0.08644230
   0.38490445  0.33615802  0.24796114
   0.05316782  0.17309754  0.49330352
   0.36965159  0.06838639  0.86903313
   0.18433149  0.40307583  0.59618064
   0.36592567  0.38849075  0.76210661
   0.16198180  0.70445183 -0.01479576
   0.38900254  0.61588830  0.35703597
   0.10735709  0.92831357  0.14160985
   0.34560390  0.88341818  0.26568574
   0.13541352  0.62086121  0.47933480
   0.38607598  0.68311677  0.82005092
   0.07069682  0.88297470  0.57099775
   0.34531554  0.91377615  0.67018104
   0.62183786  0.11573237  0.99000000
   0.83919423  0.17307068  0.33049080
   0.60628093  0.39695601  0.09402137
   0.90029647  0.37829157  0.18002876
   0.62004067  0.19755098  0.48953883
   0.88460626  0.13009185  0.87053888
   0.59826954  0.46554130  0.62822542
   0.82725961  0.43313240  0.76970450
   0.58741176  0.67490600 -0.01705392
   0.90124231  0.57801708  0.35489929
   0.59687732  0.90572187  0.14232702
   0.85944848  0.87183739  0.25627094
   0.64076273  0.66782634  0.46848984
   0.88708405  0.65461950  0.88525045
   0.68657353  0.90589832  0.59345898
   0.88467416  0.89517934  0.75115953
   0.11587476  0.08934830  0.10264978
   0.35652503  0.19330854  0.30882104
   0.18912764  0.32098570  0.00393958
   0.35773657  0.45627834  0.32966261
   0.53943962  0.34554139  0.19476214
   0.26115259  0.37680025  0.17422964
   0.20698047  0.12276746  0.46387237
  -0.03405714  0.22372734  0.39891306
   0.00040218  0.02969166  0.52936372
   0.38412932  0.24180132  0.84693481
   0.05298432  0.29857820  0.57697876
   0.37238424  0.51024591  0.84144347
   0.49147868  0.35859667  0.69524185
   0.22677310  0.37213137  0.70957009
   0.23406488  0.07105582 -0.06907631
  -0.00996625  0.17592085  0.94744719
   0.24121971  0.57593970  0.03680736
   0.35416977  0.71835074  0.25816758
   0.16410303  0.84089723  0.05109878
   0.38443680  0.94053475  0.37444595
   0.44003473  0.94808956  0.17768385
   0.18596642  0.93912249  0.24517460
   0.28277291  0.66694549  0.43660292
   0.06077722  0.53926249  0.38751635
   0.31040914  0.39984500  0.52615217
   0.38975126  0.75627136  0.71305261
   0.05991090  0.77784695  0.48546007
   0.35706436  0.98003020  0.78404461
   0.51053571  0.94725970  0.62382252
   0.23127633  0.89965419  0.59068442
   0.24929151  0.74238905 -0.11238606
  -0.00683075  0.71001372  0.95971911
   0.66738926  0.05016646  0.09366777
   0.82565941  0.23146823  0.22088947
   0.60031846  0.28844389 -0.00322157
   0.85933724  0.48464789  0.27232077
   0.00729331  0.49248413  0.11067372
   0.76473573  0.42022581  0.11079161
   0.69395557  0.23013461  0.37951104
   0.46898940  0.14363131  0.48438467
   0.69262811  0.07688540  0.56574306
   0.88037807  0.24865903  0.77966801
   0.63167039  0.33849627  0.54600639
   0.93561673  0.51881670  0.82537602
   1.11707127  0.56057877  0.59121049
   0.78760083  0.45160974  0.65745897
   0.74302291  0.09079009  0.90940487
   0.49826278  0.04565813  0.93642353
   0.54683735  0.54960333  0.05255371
   0.89977419  0.72822471  0.30787296
   0.59827848  0.81387144  0.04630423
   0.86998078  1.00706824  0.32309249
   0.95425695  0.88094471  0.15919297
   0.69592133  0.85500262  0.22426070
   0.79812282  0.58479286  0.44912787
   0.54353930  0.64951524  0.36967756
   0.54988407  0.59748754  0.55732066
   0.82095355  0.76903237  0.81057696
   0.66278274  0.84079636  0.48142180
   0.96089138  0.99212791  0.82282981
   1.00971150  0.83847945  0.67872772
   0.75647226  0.97887103  0.70616048
   0.75536881  0.60762588  0.96174555
   0.51582273  0.72126739  0.88276901
   0.70211961  0.75687249  0.63346421
   0.93185184  1.24556605  0.72744466
   1.05238147  0.28632377  0.17696498
   1.06789158  1.19354181  0.15235569
   0.33190177  0.09720430  0.64505003
   0.47823033  0.04197164  0.62648157
   0.44437591  1.29169111 -0.10240278
  -0.21802529  1.52887821  0.00182167
   0.70751769  0.43722696  0.84196771
   0.58129967  0.54870054  0.71851329
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821208    0.537330    0.201079
    -0.000000    9.788773    0.195097
    -0.000000    0.000000   13.799415
   Si   O    H 
    32    64    10
Direct configuration=  3728
   0.14010702  0.16794202 -0.01165888
   0.35814814  0.10695120  0.41203226
   0.17100808  0.44351202  0.08662430
   0.38504865  0.33522746  0.24858960
   0.05352164  0.17353551  0.49310057
   0.37148239  0.07064348  0.86926418
   0.18338629  0.40231181  0.59550657
   0.36557729  0.38780255  0.76240812
   0.16298503  0.70543961 -0.01617081
   0.38891241  0.61689214  0.35585062
   0.10686307  0.93025579  0.14092873
   0.34617410  0.88324755  0.26487403
   0.13628748  0.62108986  0.47915417
   0.38556809  0.68275522  0.82021519
   0.07232988  0.88330070  0.57201168
   0.34589076  0.91251339  0.67024817
   0.62326001  0.11577182  0.99054689
   0.83921867  0.17426941  0.33070447
   0.60685853  0.39627464  0.09460784
   0.90083484  0.38043733  0.18075340
   0.62014840  0.19632781  0.48968173
   0.88393816  0.13037717  0.87041916
   0.59755126  0.46674134  0.62896239
   0.82603042  0.43249255  0.76991345
   0.58893030  0.67399370 -0.01773543
   0.90076108  0.57831927  0.35432499
   0.59608655  0.90666412  0.14207486
   0.85983827  0.87082910  0.25604843
   0.64068329  0.66775209  0.46774206
   0.88576476  0.65579320  0.88444106
   0.68591337  0.90612552  0.59241990
   0.88423668  0.89500905  0.75026579
   0.11642231  0.08825275  0.10366919
   0.35769976  0.19342513  0.30921491
   0.18807554  0.32078004  0.00374481
   0.35723581  0.45586440  0.32939813
   0.53751261  0.34457183  0.19416467
   0.26190428  0.37787445  0.17477987
   0.20884744  0.12318943  0.46464566
  -0.03327250  0.22398855  0.39822968
   0.00125135  0.03009468  0.52905052
   0.38529992  0.24177652  0.84872571
   0.05303480  0.29915624  0.57725540
   0.36952316  0.50969475  0.84166486
   0.49122446  0.35583488  0.69564179
   0.22790966  0.37208933  0.70868124
   0.23504360  0.07096420 -0.07050427
  -0.01212443  0.17656163  0.94724550
   0.23948097  0.57464050  0.03710461
   0.35348446  0.71855803  0.25919119
   0.16314022  0.84175409  0.05128837
   0.38613124  0.94091803  0.37453096
   0.43973636  0.94804346  0.17755804
   0.18600000  0.93854616  0.24536525
   0.28389220  0.66702734  0.43577756
   0.06200326  0.53998351  0.38844770
   0.30959190  0.40119130  0.52662250
   0.38906205  0.75581732  0.71384327
   0.05937511  0.77660666  0.48583993
   0.35551609  0.98013930  0.78282748
   0.50896945  0.94993559  0.62485505
   0.23030262  0.89958882  0.59076107
   0.24772937  0.74264520 -0.11209419
  -0.00626130  0.70793729  0.95877066
   0.66781732  0.05067902  0.09281898
   0.82678249  0.23388089  0.22007391
   0.60238356  0.28669992 -0.00252629
   0.85826172  0.48512657  0.27132115
   0.00822644  0.49289574  0.11181497
   0.76646996  0.42128136  0.11060261
   0.69461139  0.23063592  0.37968186
   0.46956787  0.14224417  0.48342171
   0.69324858  0.07642537  0.56513354
   0.88142461  0.25009874  0.77863152
   0.63136814  0.33683528  0.54499182
   0.93374151  0.51789836  0.82611568
   1.11765793  0.55936775  0.59017455
   0.78727108  0.45313255  0.65801446
   0.74168055  0.08938028  0.91074981
   0.49870211  0.04530614  0.93582103
   0.54725796  0.54926870  0.05254054
   0.89919687  0.72864154  0.30838337
   0.59620733  0.81457925  0.04667590
   0.86791807  1.00593887  0.32350620
   0.95560445  0.88013916  0.16012942
   0.69489380  0.85488909  0.22544760
   0.79678311  0.58435218  0.44862029
   0.54480188  0.64772775  0.37001907
   0.55139905  0.59732742  0.55749763
   0.81982101  0.76849569  0.81111159
   0.66330112  0.83826801  0.48300851
   0.96075923  0.99140936  0.82301925
   1.01066386  0.83638914  0.67995879
   0.75786354  0.97922469  0.70601093
   0.75356725  0.60832765  0.96185020
   0.51676994  0.71985582  0.88390168
   0.70660952  0.75803852  0.63967633
   0.94261941  1.23892224  0.71394477
   1.05707085  0.28502863  0.17982524
   1.06629522  1.19443959  0.15575949
   0.33125722  0.09464002  0.64292265
   0.46974408  0.05402150  0.62229818
   0.44829245  1.29089819 -0.10316025
  -0.22167110  1.53146758  0.00677908
   0.70155513  0.43268229  0.83573823
   0.57665140  0.55713113  0.71527844
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.821979    0.537329    0.201178
    -0.000000    9.790140    0.191412
    -0.000000    0.000000   13.798690
   Si   O    H 
    32    64    10
Direct configuration=  3729
   0.13902796  0.16808045 -0.01283396
   0.35865623  0.10699764  0.41184379
   0.17113150  0.44268560  0.08702970
   0.38475400  0.33463050  0.24948759
   0.05368788  0.17409354  0.49293537
   0.37274982  0.07344505  0.86952824
   0.18250132  0.40166101  0.59461347
   0.36537390  0.38658632  0.76218332
   0.16366787  0.70672808 -0.01725946
   0.38853644  0.61765369  0.35449722
   0.10667967  0.93163595  0.14043186
   0.34661033  0.88306236  0.26405026
   0.13615938  0.62164906  0.47928322
   0.38467767  0.68249274  0.82061065
   0.07382962  0.88389826  0.57315911
   0.34686853  0.91126469  0.67033198
   0.62403923  0.11555608  0.99103779
   0.83885136  0.17544208  0.33055473
   0.60795971  0.39593120  0.09517172
   0.90105881  0.38277466  0.18163650
   0.62050839  0.19556522  0.49016833
   0.88336682  0.13028425  0.86964822
   0.59722988  0.46767174  0.62990688
   0.82471939  0.43140431  0.76997484
   0.59027817  0.67359238 -0.01805041
   0.90064508  0.57926334  0.35384300
   0.59498105  0.90779054  0.14201721
   0.85912117  0.86957633  0.25641729
   0.64081113  0.66769712  0.46749005
   0.88442074  0.65697375  0.88395151
   0.68493243  0.90614429  0.59174226
   0.88400446  0.89380170  0.74939621
   0.11660074  0.08832827  0.10398127
   0.35919398  0.19385936  0.31000012
   0.18834137  0.31990504  0.00349265
   0.35675693  0.45655641  0.32856073
   0.53505784  0.34335375  0.19349243
   0.26238035  0.37857441  0.17507176
   0.21100261  0.12266516  0.46484732
  -0.03302986  0.22463664  0.39698070
   0.00191180  0.03001700  0.52879291
   0.38695413  0.24222859  0.85051722
   0.05302535  0.29975391  0.57709734
   0.36669496  0.50929183  0.84166008
   0.49211615  0.35299252  0.69621144
   0.22877411  0.37241163  0.70796683
   0.23507559  0.07166048 -0.07138608
  -0.01456374  0.17718233  0.94736265
   0.23800935  0.57310134  0.03682563
   0.35247449  0.71882431  0.25992784
   0.16257538  0.84290631  0.05144575
   0.38741487  0.94037382  0.37519621
   0.43981940  0.94836671  0.17745350
   0.18659213  0.93704336  0.24530560
   0.28417550  0.66724985  0.43540148
   0.06234155  0.54023015  0.38954198
   0.30802868  0.40270004  0.52683351
   0.38860529  0.75586257  0.71455057
   0.05947020  0.77553578  0.48591842
   0.35368323  0.98055339  0.78126746
   0.50658741  0.95312270  0.62630950
   0.22913654  0.89973025  0.59070196
   0.24647951  0.74260550 -0.11172337
  -0.00500746  0.70510291  0.95739193
   0.66732539  0.05022608  0.09189122
   0.82749704  0.23578873  0.21895425
   0.60415253  0.28412249 -0.00156390
   0.85738084  0.48537893  0.27033657
   0.00877229  0.49393387  0.11268102
   0.76815000  0.42200454  0.10996318
   0.69501760  0.23078774  0.37999053
   0.47071885  0.14102276  0.48255085
   0.69334474  0.07644486  0.56320221
   0.88297129  0.25116780  0.77732603
   0.63220189  0.33555283  0.54364524
   0.93162140  0.51738855  0.82691923
   1.11903772  0.55824062  0.58928388
   0.78683459  0.45539282  0.65910012
   0.74019771  0.08857553  0.91191736
   0.49991293  0.04469433  0.93595712
   0.54671516  0.54869821  0.05329849
   0.89878338  0.72928571  0.30868472
   0.59380426  0.81465502  0.04657919
   0.86560041  1.00463936  0.32352590
   0.95751191  0.88040093  0.16083170
   0.69404689  0.85491485  0.22638833
   0.79443686  0.58374004  0.44847156
   0.54675028  0.64537188  0.37042005
   0.55322649  0.59612948  0.55731894
   0.81827801  0.76846345  0.81161356
   0.66380340  0.83623562  0.48462823
   0.96030403  0.99088853  0.82369173
   1.01109546  0.83525258  0.68043226
   0.75990140  0.97949968  0.70635811
   0.75278882  0.60859811  0.96167048
   0.51819901  0.71894099  0.88495145
   0.70875653  0.76611097  0.64458418
   0.94857537  1.22899159  0.70632117
   1.05775231  0.28435294  0.18543979
   1.06286480  1.19527661  0.16007261
   0.33227063  0.09095553  0.64031335
   0.46790018  0.06239124  0.61740429
   0.44567705  1.28152185 -0.10469580
  -0.22518584  1.53438155  0.01306011
   0.69808664  0.42900270  0.82829466
   0.57090404  0.56545929  0.71442886
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822567    0.537227    0.201204
    -0.000000    9.791165    0.187256
    -0.000000    0.000000   13.797943
   Si   O    H 
    32    64    10
Direct configuration=  3730
   0.13755684  0.16790022 -0.01320008
   0.35882256  0.10649980  0.41150059
   0.17107236  0.44202223  0.08716873
   0.38468699  0.33425229  0.25070604
   0.05391691  0.17428494  0.49267339
   0.37394072  0.07619754  0.86975164
   0.18113722  0.40062706  0.59412643
   0.36496404  0.38605873  0.76222565
   0.16402010  0.70847270 -0.01790220
   0.38802921  0.61864123  0.35340810
   0.10640219  0.93237127  0.14067517
   0.34728128  0.88299613  0.26391453
   0.13610294  0.62242968  0.47876254
   0.38394614  0.68227968  0.82072922
   0.07476659  0.88457983  0.57432340
   0.34831214  0.91014317  0.67039985
   0.62506428  0.11525037  0.99130943
   0.83941651  0.17643372  0.33026742
   0.60882360  0.39552152  0.09525512
   0.90041832  0.38486810  0.18202734
   0.62141916  0.19513029  0.49071118
   0.88283854  0.12982564  0.86865329
   0.59666681  0.46865921  0.63119620
   0.82376388  0.43020425  0.76956024
   0.59129652  0.67365464 -0.01789885
   0.90064924  0.58048445  0.35327548
   0.59430682  0.90949217  0.14148092
   0.85826696  0.86901654  0.25721416
   0.64035305  0.66796655  0.46706036
   0.88350019  0.65781147  0.88338589
   0.68341740  0.90617755  0.59106800
   0.88373647  0.89308079  0.74850836
   0.11620303  0.08863981  0.10351108
   0.36092918  0.19505721  0.31106780
   0.18898254  0.31867247  0.00287954
   0.35692478  0.45828758  0.32791469
   0.53302969  0.34267184  0.19306791
   0.26280900  0.37856129  0.17532244
   0.21239757  0.12256600  0.46466710
  -0.03285460  0.22537560  0.39564763
   0.00173981  0.02940854  0.52890111
   0.38795853  0.24324689  0.85223865
   0.05380672  0.30017200  0.57732075
   0.36313680  0.50896249  0.84085115
   0.49341489  0.35055960  0.69608861
   0.22937336  0.37199066  0.70694663
   0.23591945  0.07107180 -0.07191208
  -0.01717111  0.17764277  0.94720579
   0.23619002  0.57173068  0.03632169
   0.35264727  0.71829647  0.26116422
   0.16244086  0.84414262  0.05162976
   0.38851014  0.94000549  0.37541737
   0.44031067  0.94999844  0.17771687
   0.18745476  0.93521108  0.24562953
   0.28466833  0.66745052  0.43545178
   0.06216677  0.54053717  0.39072488
   0.30613248  0.40284946  0.52686831
   0.38811541  0.75526758  0.71489410
   0.05937808  0.77386467  0.48583747
   0.35233984  0.97999890  0.77949238
   0.50385185  0.95647005  0.62717937
   0.22783754  0.89970804  0.59136890
   0.24599463  0.74244117 -0.11161087
  -0.00443218  0.70174338  0.95648002
   0.66630540  0.04962435  0.09110292
   0.82819907  0.23799269  0.21854110
   0.60578257  0.28256840 -0.00027441
   0.85743496  0.48468743  0.26992438
   0.00990896  0.49446831  0.11372292
   0.77001288  0.42268175  0.10892856
   0.69530982  0.23085463  0.38045847
   0.47210679  0.13959188  0.48166532
   0.69469441  0.07490913  0.56116448
   0.88467358  0.25216222  0.77524388
   0.63290479  0.33526900  0.54250703
   0.93060489  0.51715495  0.82753615
   1.11930596  0.55810895  0.58824119
   0.78672844  0.45797494  0.66048207
   0.73918968  0.08778698  0.91325346
   0.50172763  0.04483225  0.93594961
   0.54663862  0.54853133  0.05379418
   0.89901829  0.73053009  0.30812341
   0.59201367  0.81403207  0.04622294
   0.86298628  1.00310019  0.32359146
   0.95922445  0.88094237  0.16101627
   0.69410413  0.85511208  0.22692691
   0.79239343  0.58323779  0.44868108
   0.54786803  0.64443990  0.37060986
   0.55481671  0.59500442  0.55710484
   0.81736096  0.76701919  0.81247691
   0.66499055  0.83428825  0.48566644
   0.95938985  0.99034494  0.82458708
   1.01187866  0.83405811  0.68108743
   0.76105654  0.98032916  0.70636275
   0.75158722  0.60839358  0.96138886
   0.51933829  0.71858527  0.88585473
   0.71166773  0.77541996  0.64795878
   0.95238834  1.21576617  0.70573720
   1.05510573  0.28151247  0.18894976
   1.06179114  1.20010788  0.16512459
   0.33292054  0.08713667  0.63537251
   0.47322554  0.06374844  0.61227258
   0.44806990  1.27428790 -0.10156032
  -0.22235818  1.53529779  0.02175018
   0.69234759  0.42825861  0.82433300
   0.56656490  0.57214374  0.71317224
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823025    0.537357    0.201315
    -0.000000    9.792327    0.182928
    -0.000000    0.000000   13.797484
   Si   O    H 
    32    64    10
Direct configuration=  3731
   0.13601465  0.16720872 -0.01321814
   0.35868903  0.10597693  0.41095449
   0.17164914  0.44126080  0.08771471
   0.38435312  0.33443183  0.25187445
   0.05373250  0.17509156  0.49253744
   0.37581557  0.07859603  0.87013005
   0.17914037  0.39973628  0.59392512
   0.36434426  0.38562353  0.76236037
   0.16382354  0.71012488 -0.01827462
   0.38806375  0.61946389  0.35185925
   0.10599397  0.93269180  0.14113019
   0.34829422  0.88352188  0.26378010
   0.13543720  0.62335664  0.47823319
   0.38274495  0.68229138  0.82107165
   0.07525811  0.88546821  0.57520805
   0.34947014  0.90896512  0.67039067
   0.62569964  0.11413457  0.99170142
   0.83947820  0.17738072  0.33031394
   0.60950628  0.39527394  0.09517092
   0.89986296  0.38684872  0.18234588
   0.62191073  0.19374426  0.49150034
   0.88233788  0.12901025  0.86743739
   0.59659694  0.46963631  0.63263177
   0.82270376  0.42981416  0.76969849
   0.59180666  0.67383845 -0.01733647
   0.90092629  0.58130115  0.35332501
   0.59334210  0.91121089  0.14066538
   0.85734879  0.86887163  0.25775600
   0.64007437  0.66797040  0.46648752
   0.88262662  0.65856798  0.88303142
   0.68209183  0.90644237  0.59016133
   0.88356789  0.89260981  0.74763850
   0.11500219  0.08907497  0.10206070
   0.36208231  0.19627090  0.31175626
   0.18879917  0.31700866  0.00224925
   0.35753195  0.45963624  0.32773017
   0.53031878  0.34228680  0.19189345
   0.26285403  0.37878311  0.17546201
   0.21275524  0.12306274  0.46431203
  -0.03239425  0.22591235  0.39449782
   0.00137610  0.02871241  0.52933737
   0.38866323  0.24485789  0.85313064
   0.05475975  0.29921403  0.57677750
   0.35944102  0.50881690  0.83981862
   0.49476537  0.34866083  0.69570805
   0.22907420  0.37130281  0.70629746
   0.23756776  0.07025843 -0.07267119
  -0.01971915  0.17855542  0.94690453
   0.23527205  0.56999361  0.03537271
   0.35288603  0.71759099  0.26177201
   0.16240722  0.84441745  0.05162407
   0.38957882  0.93969042  0.37535140
   0.44153230  0.95149653  0.17839506
   0.18842330  0.93309729  0.24586965
   0.28510019  0.66785411  0.43509897
   0.06140465  0.54144420  0.39231402
   0.30590561  0.40267805  0.52660608
   0.38742085  0.75490905  0.71503021
   0.05869670  0.77197356  0.48586399
   0.35093878  0.97940494  0.77824627
   0.50139932  0.95922766  0.62830554
   0.22688897  0.89940605  0.59158319
   0.24629467  0.74295097 -0.11236406
  -0.00335418  0.69858157  0.95560800
   0.66484382  0.04866105  0.09066745
   0.82832815  0.23932239  0.21817981
   0.60746529  0.28073499  0.00127209
   0.85743871  0.48395932  0.26906121
   0.01163317  0.49501342  0.11520092
   0.77130521  0.42302820  0.10835314
   0.69494022  0.23049191  0.38170557
   0.47301528  0.13900279  0.48062104
   0.69514687  0.07372166  0.55892296
   0.88680285  0.25294475  0.77333962
   0.63367542  0.33565811  0.54189736
   0.92935411  0.51606829  0.82798841
   1.11951909  0.55869418  0.58736304
   0.78665552  0.46093157  0.66118302
   0.73842160  0.08827866  0.91394868
   0.50331722  0.04469983  0.93584386
   0.54633602  0.54887831  0.05435388
   0.89971983  0.73066644  0.30742302
   0.59040106  0.81281084  0.04599242
   0.85948804  1.00253704  0.32415558
   0.95927376  0.88137274  0.16086719
   0.69486949  0.85605024  0.22760320
   0.79021762  0.58249326  0.44898219
   0.54868180  0.64379899  0.37092334
   0.55648629  0.59404596  0.55624072
   0.81666010  0.76634633  0.81348506
   0.66562696  0.83223102  0.48655650
   0.95887848  0.99005835  0.82534758
   1.01232984  0.83302406  0.68163122
   0.76260117  0.98120959  0.70608623
   0.75100950  0.60764569  0.96143688
   0.51963315  0.71882296  0.88679854
   0.71541476  0.78220552  0.64925783
   0.95215055  1.20951075  0.70786312
   1.05169926  0.28521971  0.19421819
   1.06615904  1.20017298  0.16560169
   0.33207686  0.08318123  0.63034893
   0.47654584  0.06182095  0.60695950
   0.45094552  1.27065063 -0.09305659
  -0.22169410  1.53536963  0.02902243
   0.68772191  0.42602106  0.81954366
   0.56314708  0.57578742  0.71293840
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823396    0.537806    0.201119
    -0.000000    9.793033    0.178087
    -0.000000    0.000000   13.797346
   Si   O    H 
    32    64    10
Direct configuration=  3732
   0.13353015  0.16656290 -0.01274547
   0.35907212  0.10527873  0.41008583
   0.17192058  0.44036933  0.08799913
   0.38386030  0.33381704  0.25337826
   0.05369466  0.17581766  0.49230119
   0.37675099  0.08048631  0.86972519
   0.17782291  0.39850904  0.59368113
   0.36430644  0.38492840  0.76289555
   0.16268851  0.71184560 -0.01837294
   0.38819546  0.62009121  0.35065309
   0.10607941  0.93287434  0.14148164
   0.34978677  0.88391741  0.26426469
   0.13501890  0.62433168  0.47780738
   0.38121989  0.68269751  0.82145567
   0.07562773  0.88672204  0.57656096
   0.35026559  0.90855293  0.67030402
   0.62544311  0.11357175  0.99163456
   0.83967499  0.17838705  0.33055637
   0.61022612  0.39504264  0.09489355
   0.89901220  0.38843075  0.18259571
   0.62218028  0.19236667  0.49173986
   0.88182656  0.12820037  0.86638488
   0.59692399  0.47037064  0.63381016
   0.82219256  0.42901766  0.77008027
   0.59220598  0.67343725 -0.01671722
   0.90072490  0.58187189  0.35352618
   0.59370087  0.91302739  0.13993557
   0.85614396  0.86855014  0.25790130
   0.63979601  0.66771571  0.46607745
   0.88174277  0.65933539  0.88319489
   0.68063584  0.90690707  0.58933408
   0.88345128  0.89308566  0.74697028
   0.11377828  0.08988827  0.10014555
   0.36329908  0.19772852  0.31223092
   0.18789874  0.31625933  0.00172477
   0.35789257  0.45998640  0.32783015
   0.52754208  0.34182079  0.19089433
   0.26361620  0.37897478  0.17533493
   0.21311648  0.12399496  0.46348284
  -0.03236661  0.22643017  0.39358566
   0.00138155  0.02826117  0.52990596
   0.38902910  0.24624563  0.85461504
   0.05564356  0.29755010  0.57560208
   0.35634787  0.50850509  0.83912593
   0.49593768  0.34696248  0.69521249
   0.22873401  0.36990046  0.70648836
   0.23865213  0.06991281 -0.07239498
  -0.02155340  0.17965053  0.94680277
   0.23505314  0.56941937  0.03432449
   0.35412774  0.71725810  0.26173434
   0.16235797  0.84457563  0.05190546
   0.39088211  0.93936897  0.37484689
   0.44279332  0.95266314  0.17956374
   0.18969958  0.93037854  0.24606085
   0.28536183  0.66799583  0.43433230
   0.06089564  0.54223163  0.39375878
   0.30633105  0.40333830  0.52592918
   0.38638884  0.75481136  0.71561447
   0.05795765  0.77115784  0.48609469
   0.34925065  0.97954232  0.77752204
   0.49909640  0.96105470  0.62984495
   0.22662222  0.89859554  0.59139816
   0.24679513  0.74340692 -0.11355508
  -0.00201452  0.69528455  0.95517524
   0.66340716  0.04707975  0.09123879
   0.82871009  0.24050040  0.21798538
   0.60806360  0.28015679  0.00254858
   0.85808204  0.48371120  0.26861937
   0.01440431  0.49591336  0.11628485
   0.77221795  0.42422220  0.10715661
   0.69441910  0.22890001  0.38252785
   0.47317270  0.13836684  0.47952221
   0.69569008  0.07324058  0.55630469
   0.88836736  0.25444924  0.77141218
   0.63415444  0.33596820  0.54172990
   0.92775480  0.51524006  0.82823328
   1.11877878  0.56024754  0.58688324
   0.78713353  0.46291327  0.66170837
   0.73874708  0.08866844  0.91421665
   0.50415432  0.04435347  0.93612458
   0.54687173  0.54875038  0.05413649
   0.90073162  0.73131534  0.30639998
   0.59006151  0.81123413  0.04584320
   0.85634371  1.00281558  0.32435803
   0.95873052  0.88203009  0.16097381
   0.69471526  0.85665619  0.22766945
   0.78835196  0.58292978  0.44840330
   0.54998511  0.64273176  0.37112731
   0.55791149  0.59343266  0.55607771
   0.81573856  0.76625983  0.81403132
   0.66582651  0.82991403  0.48732060
   0.95931606  0.99005014  0.82618475
   1.01284968  0.83188037  0.68246664
   0.76287651  0.98176245  0.70515894
   0.75064202  0.60674996  0.96204015
   0.51896500  0.71847599  0.88676114
   0.71961622  0.78645829  0.64989704
   0.94789882  1.21280229  0.71406545
   1.04550558  0.28764288  0.20000679
   1.06993455  1.20256801  0.16583095
   0.33125274  0.08201226  0.62603558
   0.47836417  0.06074579  0.60519517
   0.45187156  1.26820056 -0.08836061
  -0.22251933  1.53256229  0.03244946
   0.68428602  0.42348564  0.81783417
   0.56049807  0.57918975  0.71433105
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.823599    0.538581    0.200655
    -0.000000    9.793623    0.173444
    -0.000000    0.000000   13.797267
   Si   O    H 
    32    64    10
Direct configuration=  3733
   0.13098070  0.16527105 -0.01221417
   0.35916994  0.10383475  0.40910830
   0.17214366  0.44012984  0.08794582
   0.38384182  0.33348778  0.25454754
   0.05353851  0.17679692  0.49187908
   0.37760748  0.08169003  0.86893928
   0.17673973  0.39744112  0.59379576
   0.36416530  0.38442238  0.76332595
   0.16182062  0.71303032 -0.01852058
   0.38887810  0.62058324  0.34937311
   0.10634353  0.93347707  0.14185011
   0.35084551  0.88390452  0.26517734
   0.13486262  0.62547535  0.47731125
   0.38010242  0.68294378  0.82186644
   0.07553792  0.88719365  0.57786383
   0.35095439  0.90843973  0.67043308
   0.62443720  0.11305326  0.99167898
   0.84011637  0.17893624  0.33069926
   0.61058785  0.39515011  0.09443337
   0.89780179  0.38965042  0.18235965
   0.62276349  0.19155378  0.49177490
   0.88209344  0.12759465  0.86523262
   0.59686263  0.47036039  0.63514735
   0.82189987  0.42823121  0.76976987
   0.59278251  0.67227559 -0.01560450
   0.90091321  0.58225870  0.35360321
   0.59501300  0.91478600  0.13919862
   0.85428430  0.86809293  0.25805139
   0.64004181  0.66672150  0.46579724
   0.88053293  0.66029346  0.88335296
   0.67939407  0.90693060  0.58927486
   0.88344871  0.89345271  0.74633215
   0.11224303  0.09098934  0.09828838
   0.36453380  0.19971768  0.31177023
   0.18640459  0.31673437  0.00132976
   0.35772405  0.46092123  0.32784434
   0.52612470  0.34100570  0.19048315
   0.26474542  0.37976098  0.17515712
   0.21315070  0.12484094  0.46303707
  -0.03208870  0.22746029  0.39314337
   0.00086329  0.02794071  0.53076162
   0.39044695  0.24808377  0.85623736
   0.05683495  0.29590185  0.57407126
   0.35326923  0.50929116  0.83798680
   0.49678641  0.34617074  0.69445613
   0.22867444  0.36816159  0.70666904
   0.23973463  0.06969438 -0.07199436
  -0.02234700  0.18130591  0.94666401
   0.23483110  0.56956443  0.03362064
   0.35394162  0.71662418  0.26110352
   0.16212640  0.84398383  0.05193439
   0.39050811  0.94016598  0.37415279
   0.44454062  0.95281891  0.18034792
   0.19092400  0.92733829  0.24574298
   0.28560030  0.66827242  0.43376814
   0.06052187  0.54246008  0.39469782
   0.30681442  0.40431897  0.52534535
   0.38493815  0.75446782  0.71605333
   0.05677547  0.77070286  0.48607202
   0.34843852  0.98013729  0.77744549
   0.49689805  0.96264419  0.63153875
   0.22781338  0.89848077  0.59141709
   0.24786828  0.74397490 -0.11535094
  -0.00077628  0.69268938  0.95558371
   0.66191635  0.04552185  0.09158716
   0.82913528  0.24108498  0.21769397
   0.60830858  0.27986150  0.00404112
   0.85985704  0.48322380  0.26815397
   0.01703327  0.49625587  0.11808534
   0.77359659  0.42552281  0.10550125
   0.69337910  0.22763904  0.38390778
   0.47414589  0.13798827  0.47916226
   0.69661172  0.07282914  0.55302012
   0.89037352  0.25517389  0.76943440
   0.63460050  0.33673007  0.54169579
   0.92568792  0.51473038  0.82875432
   1.11874903  0.56133834  0.58608460
   0.78687824  0.46409452  0.66169117
   0.74008118  0.08901634  0.91435589
   0.50474857  0.04470886  0.93646050
   0.54753512  0.54773289  0.05331659
   0.90130712  0.73167726  0.30594560
   0.58915936  0.81099394  0.04550973
   0.85303688  1.00417290  0.32488395
   0.95739494  0.88208584  0.16084654
   0.69442424  0.85697652  0.22808546
   0.78675169  0.58324559  0.44712228
   0.55127170  0.64155667  0.37103956
   0.55923097  0.59296758  0.55587912
   0.81441584  0.76666058  0.81471044
   0.66567560  0.82713373  0.48760906
   0.95975470  0.99022207  0.82673401
   1.01301327  0.83124049  0.68253224
   0.76226131  0.98197002  0.70421074
   0.75087917  0.60564970  0.96266821
   0.51765237  0.71822964  0.88585285
   0.72165099  0.78663562  0.65086860
   0.94050192  1.22049046  0.72200490
   1.04151268  0.28480241  0.20472641
   1.07370145  1.20517385  0.16750708
   0.32920596  0.08263715  0.62228218
   0.47978773  0.05773801  0.60366824
   0.45105727  1.26631020 -0.08952765
  -0.22402448  1.53098975  0.03206761
   0.68526216  0.41856760  0.81843698
   0.56211385  0.57938002  0.71547993
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824417    0.539596    0.200259
    -0.000000    9.794274    0.169255
    -0.000000    0.000000   13.797351
   Si   O    H 
    32    64    10
Direct configuration=  3734
   0.12949463  0.16379520 -0.01123539
   0.35862113  0.10229613  0.40824551
   0.17272643  0.44022204  0.08757256
   0.38350476  0.33365772  0.25563174
   0.05365534  0.17827874  0.49151111
   0.37823951  0.08239749  0.86810037
   0.17672093  0.39702469  0.59378610
   0.36382918  0.38417027  0.76328340
   0.16108607  0.71342558 -0.01859380
   0.38917159  0.62057975  0.34796890
   0.10618173  0.93338284  0.14242304
   0.35222255  0.88426861  0.26657611
   0.13453310  0.62699753  0.47675605
   0.37900736  0.68286058  0.82206489
   0.07508318  0.88715876  0.57896694
   0.35177849  0.90851221  0.67030218
   0.62335315  0.11276891  0.99185733
   0.84039694  0.17968605  0.33074917
   0.61090331  0.39548029  0.09405309
   0.89714187  0.39062304  0.18176972
   0.62352786  0.19094853  0.49137329
   0.88209387  0.12716117  0.86395616
   0.59700427  0.47005968  0.63639268
   0.82151534  0.42805749  0.76967562
   0.59353697  0.67117582 -0.01462188
   0.90150701  0.58275497  0.35385622
   0.59696155  0.91542215  0.13865749
   0.85299351  0.86885807  0.25776879
   0.64014766  0.66505276  0.46554974
   0.87916902  0.66061317  0.88426549
   0.67835234  0.90754107  0.58924104
   0.88452706  0.89383097  0.74593314
   0.11075086  0.09300000  0.09632623
   0.36584077  0.20099666  0.31142819
   0.18562834  0.31771082  0.00031423
   0.35789817  0.46228303  0.32790786
   0.52383581  0.34090610  0.18978005
   0.26621024  0.38056369  0.17466919
   0.21313084  0.12576148  0.46252354
  -0.03192703  0.22800223  0.39304616
   0.00013133  0.02758553  0.53141536
   0.39168489  0.25024130  0.85748693
   0.05728707  0.29377387  0.57161882
   0.35033739  0.51066993  0.83678198
   0.49750282  0.34651932  0.69384786
   0.22835324  0.36639667  0.70661528
   0.24042063  0.07005389 -0.07081883
  -0.02294555  0.18293707  0.94697014
   0.23553046  0.57017413  0.03280134
   0.35335288  0.71654392  0.25931475
   0.16173936  0.84304033  0.05199944
   0.39080867  0.94081313  0.37369365
   0.44587400  0.95280330  0.18093815
   0.19188082  0.92477341  0.24546797
   0.28575300  0.66856958  0.43323597
   0.05973593  0.54203881  0.39566287
   0.30703739  0.40462092  0.52520107
   0.38428413  0.75413670  0.71683001
   0.05504121  0.77230043  0.48596069
   0.34788950  0.98109135  0.77755181
   0.49577395  0.96388226  0.63315501
   0.23030722  0.89765604  0.59147784
   0.24827987  0.74511818 -0.11686191
   0.00073099  0.69051403  0.95641137
   0.66099906  0.04364618  0.09194184
   0.82925503  0.24102691  0.21728347
   0.60814960  0.27977515  0.00576213
   0.86082637  0.48287906  0.26882929
   0.01957874  0.49666303  0.12001308
   0.77517875  0.42732946  0.10344211
   0.69251828  0.22595919  0.38478726
   0.47581165  0.13818193  0.47885270
   0.69811049  0.07188396  0.54980246
   0.89071798  0.25610208  0.76875247
   0.63513321  0.33813615  0.54201715
   0.92308184  0.51400930  0.82914926
   1.11904474  0.56251542  0.58574822
   0.78618269  0.46492692  0.66190135
   0.74151037  0.08846957  0.91343229
   0.50469380  0.04500465  0.93675297
   0.54753542  0.54666562  0.05232235
   0.90193213  0.73204719  0.30567565
   0.58800395  0.81147945  0.04455515
   0.85044178  1.00403858  0.32500005
   0.95507890  0.88150499  0.16116177
   0.69363195  0.85736453  0.22838601
   0.78551260  0.58302896  0.44542250
   0.55203986  0.64060922  0.37151966
   0.55976162  0.59295577  0.55559565
   0.81287162  0.76785924  0.81478290
   0.66561214  0.82484674  0.48749032
   0.95953834  0.99064961  0.82685656
   1.01258392  0.83054431  0.68238083
   0.76209686  0.98273116  0.70283730
   0.75109794  0.60554860  0.96362454
   0.51611806  0.71722502  0.88481733
   0.72027029  0.78185810  0.65027322
   0.95293950  1.21722561  0.70875600
   1.03757785  0.27897192  0.20653841
   1.07520550  1.20975134  0.16706038
   0.32656280  0.08648708  0.62051226
   0.47829762  0.06099247  0.60309690
   0.45310921  1.26741307 -0.09100890
  -0.22494899  1.52833809  0.02849191
   0.68780384  0.41603291  0.82075852
   0.56716856  0.57622530  0.71841587
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824820    0.540911    0.199483
    -0.000000    9.794918    0.165278
    -0.000000    0.000000   13.797699
   Si   O    H 
    32    64    10
Direct configuration=  3735
   0.12824552  0.16172614 -0.01055118
   0.35821589  0.10029270  0.40772027
   0.17340466  0.44034812  0.08726087
   0.38276891  0.33434086  0.25666471
   0.05413844  0.17950107  0.49081691
   0.37855038  0.08208110  0.86686262
   0.17669526  0.39751246  0.59387513
   0.36427026  0.38420623  0.76282178
   0.16091369  0.71385578 -0.01860800
   0.38932799  0.62027939  0.34695681
   0.10627100  0.93272670  0.14333730
   0.35356041  0.88462286  0.26743240
   0.13465933  0.62787376  0.47641561
   0.37788093  0.68274835  0.82228898
   0.07437763  0.88667375  0.58004866
   0.35234171  0.90927610  0.67045454
   0.62237606  0.11289721  0.99228081
   0.84087413  0.18056042  0.33021636
   0.61026347  0.39585958  0.09407735
   0.89616653  0.39162174  0.18135995
   0.62367857  0.19153973  0.49078742
   0.88210180  0.12644834  0.86278152
   0.59719543  0.47006819  0.63756975
   0.82123060  0.42781218  0.76968120
   0.59411776  0.67029705 -0.01381447
   0.90269867  0.58282973  0.35474939
   0.59856045  0.91575447  0.13819869
   0.85122706  0.86984800  0.25717227
   0.64050058  0.66356480  0.46588728
   0.87815112  0.66066942  0.88522575
   0.67686458  0.90823519  0.58937502
   0.88611864  0.89391746  0.74573759
   0.10943368  0.09410243  0.09464007
   0.36624580  0.20218854  0.31104684
   0.18443569  0.31853429 -0.00046193
   0.35824696  0.46359460  0.32821478
   0.52224514  0.34065457  0.18844965
   0.26731533  0.38086566  0.17391659
   0.21290366  0.12683636  0.46256323
  -0.03154698  0.22887257  0.39247843
  -0.00108196  0.02760863  0.53250892
   0.39217553  0.25215548  0.85857571
   0.05759297  0.29179967  0.56896731
   0.34677460  0.51249411  0.83548458
   0.49909866  0.34732070  0.69380152
   0.22823235  0.36442642  0.70659991
   0.24105187  0.07033899 -0.06944894
  -0.02334222  0.18410955  0.94699165
   0.23644237  0.57156609  0.03155728
   0.35255535  0.71740444  0.25772303
   0.16188455  0.84233651  0.05209139
   0.39092908  0.94122964  0.37360215
   0.44702195  0.95215813  0.18197422
   0.19329793  0.92273686  0.24485831
   0.28576378  0.66876896  0.43262491
   0.05837845  0.54134534  0.39640662
   0.30609406  0.40466914  0.52511358
   0.38387742  0.75427444  0.71736615
   0.05360564  0.77350499  0.48640634
   0.34758322  0.98229187  0.77843420
   0.49536703  0.96553556  0.63449291
   0.23253110  0.89715386  0.59139028
   0.24925080  0.74635227 -0.11836239
   0.00257662  0.68830524  0.95710781
   0.66011749  0.04186485  0.09174898
   0.82999796  0.24123151  0.21629154
   0.60693277  0.27927437  0.00747860
   0.86148018  0.48220799  0.26943056
   0.02120812  0.49634517  0.12187019
   0.77639256  0.42878990  0.10115310
   0.69266474  0.22558503  0.38469412
   0.47703176  0.13804958  0.47838996
   0.69875003  0.07011731  0.54731098
   0.89086592  0.25684231  0.76814743
   0.63537957  0.33889251  0.54224334
   0.92051774  0.51314550  0.82939474
   1.11835722  0.56389997  0.58515757
   0.78499282  0.46595467  0.66221971
   0.74310290  0.08883409  0.91241467
   0.50494509  0.04490721  0.93677254
   0.54793857  0.54501235  0.05118009
   0.90259364  0.73137595  0.30511567
   0.58732726  0.81240037  0.04385286
   0.84883586  1.00481350  0.32523884
   0.95313360  0.88148954  0.16186775
   0.69363840  0.85746734  0.22859225
   0.78451851  0.58287933  0.44327967
   0.55276307  0.64073753  0.37164981
   0.56146524  0.59238092  0.55559397
   0.81095007  0.76973634  0.81469759
   0.66560567  0.82385866  0.48735076
   0.95939993  0.99089186  0.82662332
   1.01296077  0.82923060  0.68193193
   0.76173503  0.98388747  0.70148018
   0.75174816  0.60554243  0.96472629
   0.51407159  0.71625718  0.88389386
   0.71700997  0.77502536  0.64747861
   0.95751750  1.22372557  0.70031498
   1.03621457  0.26835815  0.20548709
   1.07516058  1.21994714  0.16601313
   0.31705367  0.08761049  0.62086616
   0.47589307  0.05728623  0.60104191
   0.45597346  1.27302576 -0.08996220
  -0.22370194  1.52593649  0.02278494
   0.68995229  0.41021529  0.82513214
   0.57085313  0.56783688  0.72265379
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825105    0.543436    0.198362
    -0.000000    9.795204    0.161283
    -0.000000    0.000000   13.797848
   Si   O    H 
    32    64    10
Direct configuration=  3736
   0.12738295  0.15948802 -0.00977662
   0.35774029  0.09851522  0.40751356
   0.17426852  0.44015427  0.08654523
   0.38210901  0.33555669  0.25723741
   0.05494373  0.18065804  0.49022514
   0.37873149  0.08143730  0.86595069
   0.17610520  0.39805103  0.59405489
   0.36445474  0.38469886  0.76240725
   0.16058411  0.71437243 -0.01868545
   0.38954292  0.61950001  0.34621297
   0.10627707  0.93215181  0.14446822
   0.35503965  0.88503380  0.26783056
   0.13507025  0.62886751  0.47618000
   0.37760989  0.68258459  0.82291675
   0.07366652  0.88615385  0.58086611
   0.35251210  0.90991307  0.67073560
   0.62231667  0.11318607  0.99218963
   0.84099324  0.18094269  0.32925825
   0.60915116  0.39616805  0.09408235
   0.89546897  0.39247206  0.18087502
   0.62410266  0.19265995  0.49033267
   0.88222249  0.12585705  0.86201277
   0.59754373  0.46982851  0.63889671
   0.82077500  0.42749255  0.76976134
   0.59434650  0.67002198 -0.01343017
   0.90356231  0.58285294  0.35543087
   0.59986392  0.91556164  0.13776845
   0.84977502  0.87111268  0.25658308
   0.64023326  0.66202522  0.46635276
   0.87809520  0.66063560  0.88607697
   0.67611891  0.90918207  0.58953783
   0.88742313  0.89331213  0.74587704
   0.10869142  0.09376695  0.09367251
   0.36640246  0.20227100  0.31101712
   0.18261036  0.31904934 -0.00164107
   0.35877302  0.46421463  0.32849431
   0.52127347  0.34106854  0.18698232
   0.26808260  0.38088082  0.17378040
   0.21176073  0.12757202  0.46252506
  -0.03148592  0.22952487  0.39161939
  -0.00218336  0.02708489  0.53347072
   0.39339595  0.25396900  0.85930382
   0.05743693  0.29040136  0.56708962
   0.34405272  0.51461345  0.83356620
   0.50028135  0.34837607  0.69371124
   0.22799193  0.36312110  0.70696972
   0.24209476  0.07072159 -0.06773811
  -0.02368208  0.18400700  0.94706772
   0.23808375  0.57299523  0.03094999
   0.35317573  0.71924683  0.25623167
   0.16241963  0.84191385  0.05250865
   0.39092678  0.94208017  0.37264954
   0.44789174  0.95145542  0.18276115
   0.19500048  0.92107079  0.24409877
   0.28692725  0.66985490  0.43284679
   0.05646983  0.54070811  0.39725847
   0.30545368  0.40484399  0.52491670
   0.38403337  0.75443780  0.71758902
   0.05189921  0.77533774  0.48687782
   0.34626214  0.98402248  0.77930981
   0.49507518  0.96751055  0.63514709
   0.23492202  0.89682685  0.59108553
   0.25004125  0.74788394 -0.11954104
   0.00451798  0.68610361  0.95815544
   0.66050213  0.04128977  0.09126646
   0.83005615  0.24106168  0.21596852
   0.60579050  0.27877241  0.00934254
   0.86135323  0.48278255  0.27029763
   0.02236850  0.49599864  0.12394092
   0.77747096  0.43099389  0.09887072
   0.69291837  0.22545630  0.38406908
   0.47809629  0.13741005  0.47793638
   0.69977611  0.06702197  0.54453468
   0.89165342  0.25698974  0.76774123
   0.63555000  0.33937639  0.54244798
   0.91833757  0.51303987  0.82940637
   1.11785458  0.56503605  0.58514449
   0.78382677  0.46626044  0.66226324
   0.74497624  0.08954069  0.91161584
   0.50459335  0.04570913  0.93670273
   0.54738419  0.54290088  0.05030265
   0.90319844  0.73083058  0.30446060
   0.58586106  0.81351089  0.04297294
   0.84718888  1.00604719  0.32553232
   0.95223549  0.88072207  0.16227623
   0.69254039  0.85786323  0.22838862
   0.78388229  0.58250098  0.44080029
   0.55400070  0.64056192  0.37173265
   0.56212378  0.59146970  0.55545870
   0.80956143  0.77183809  0.81422038
   0.66579178  0.82328715  0.48763807
   0.95962750  0.99076757  0.82588311
   1.01317881  0.82789850  0.68132862
   0.76074153  0.98489266  0.70041347
   0.75242240  0.60539758  0.96557834
   0.51263717  0.71456850  0.88311238
   0.71155129  0.77211478  0.64407471
   0.95596089  1.23399205  0.69777976
   1.02982477  0.26536182  0.21001949
   1.07948477  1.22152520  0.15955045
   0.31125884  0.08939486  0.62412518
   0.47162967  0.05825154  0.59894291
   0.45998684  1.28327097 -0.08838017
  -0.22403810  1.52487950  0.01864565
   0.69787752  0.40721288  0.82947026
   0.57775092  0.56215390  0.72447849
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.825490    0.545971    0.197521
    -0.000000    9.795855    0.157199
    -0.000000    0.000000   13.797712
   Si   O    H 
    32    64    10
Direct configuration=  3737
   0.12706895  0.15825881 -0.00912730
   0.35677290  0.09750045  0.40777742
   0.17528223  0.43988791  0.08549462
   0.38160983  0.33815634  0.25743368
   0.05529220  0.18109489  0.48945478
   0.37855247  0.08012700  0.86569204
   0.17609299  0.39846490  0.59436181
   0.36457391  0.38479832  0.76190281
   0.16072013  0.71483973 -0.01835893
   0.39046329  0.61871984  0.34591231
   0.10625284  0.93158601  0.14539365
   0.35689358  0.88555005  0.26784888
   0.13589615  0.62973527  0.47596726
   0.37756233  0.68146024  0.82326920
   0.07324754  0.88589864  0.58111639
   0.35278476  0.91021935  0.67139979
   0.62321193  0.11377998  0.99198325
   0.84096709  0.18083202  0.32814960
   0.60738357  0.39624125  0.09427697
   0.89539932  0.39231207  0.18052854
   0.62505802  0.19475365  0.49016517
   0.88317948  0.12573443  0.86157650
   0.59826379  0.46973734  0.64011846
   0.82028144  0.42738550  0.76964332
   0.59439436  0.67048408 -0.01250610
   0.90452101  0.58351027  0.35646206
   0.60113760  0.91500116  0.13755116
   0.84827364  0.87227813  0.25564469
   0.64035902  0.66027856  0.46679905
   0.87827009  0.66049572  0.88707645
   0.67618819  0.91030764  0.58963978
   0.88858058  0.89229061  0.74625528
   0.10857507  0.09287404  0.09390358
   0.36658185  0.20122430  0.31093696
   0.18196732  0.31978020 -0.00253719
   0.35931020  0.46431561  0.32867089
   0.51960210  0.34226077  0.18555391
   0.26929817  0.38143762  0.17456325
   0.21180442  0.12848304  0.46207985
  -0.03074568  0.22981735  0.39114669
  -0.00369162  0.02730477  0.53446088
   0.39404702  0.25647772  0.86013504
   0.05682055  0.28987763  0.56604032
   0.34238290  0.51815948  0.83113458
   0.50029724  0.34967426  0.69415401
   0.22729848  0.36174630  0.70781560
   0.24210462  0.07056490 -0.06581289
  -0.02422165  0.18348429  0.94730380
   0.23987182  0.57397106  0.02988561
   0.35437551  0.72050905  0.25485491
   0.16314797  0.84171527  0.05323513
   0.39002280  0.94328133  0.37196705
   0.44785499  0.95068002  0.18397260
   0.19688396  0.91950718  0.24361802
   0.28833989  0.67095897  0.43300949
   0.05410276  0.54093183  0.39815517
   0.30470695  0.40456213  0.52475744
   0.38416894  0.75426222  0.71788215
   0.05009000  0.77758812  0.48739219
   0.34529633  0.98619845  0.77988926
   0.49616066  0.96933898  0.63542732
   0.23717268  0.89650989  0.59119958
   0.24995986  0.74925250 -0.12042686
   0.00517293  0.68432858  0.95866118
   0.66150303  0.04097696  0.09053046
   0.83023324  0.24110028  0.21602821
   0.60487128  0.27852439  0.01114468
   0.86119882  0.48293534  0.27156637
   0.02363321  0.49547269  0.12561564
   0.77797304  0.43234239  0.09643451
   0.69408230  0.22567754  0.38312840
   0.47826280  0.13617811  0.47734611
   0.70167326  0.06365066  0.54200445
   0.89277433  0.25616010  0.76692685
   0.63565463  0.34031260  0.54256095
   0.91667731  0.51291461  0.82992397
   1.11769405  0.56577768  0.58550667
   0.78261353  0.46645160  0.66312948
   0.74756269  0.08986949  0.91094677
   0.50416558  0.04665428  0.93686604
   0.54665495  0.54101475  0.04950335
   0.90366767  0.73055921  0.30360149
   0.58509730  0.81365949  0.04249740
   0.84626553  1.00697791  0.32590243
   0.95180200  0.88037364  0.16346959
   0.69191146  0.85854542  0.22786654
   0.78408978  0.58203480  0.43816385
   0.55359483  0.64114991  0.37163525
   0.56358410  0.59038606  0.55577835
   0.80794315  0.77409881  0.81390291
   0.66596379  0.82304006  0.48810795
   0.95986821  0.99010247  0.82522521
   1.01276262  0.82614384  0.68098393
   0.75974782  0.98583225  0.69854381
   0.75356129  0.60478792  0.96595421
   0.51081260  0.71280233  0.88245387
   0.70440976  0.77204215  0.64010363
   0.94509850  1.24753321  0.70000997
   1.02744592  0.26255854  0.20994974
   1.08305940  1.22129028  0.15753169
   0.31095015  0.09107005  0.62853882
   0.46713703  0.05991408  0.59707907
   0.45696700  1.29192534 -0.08997712
  -0.21912368  1.52412880  0.01729881
   0.70828366  0.40363443  0.83334471
   0.58549461  0.55661365  0.72475052
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826486    0.548078    0.196756
    -0.000000    9.796150    0.152732
    -0.000000    0.000000   13.797019
   Si   O    H 
    32    64    10
Direct configuration=  3738
   0.12668593  0.15720990 -0.00840768
   0.35588489  0.09687940  0.40818477
   0.17570817  0.43991211  0.08374350
   0.38218407  0.34090641  0.25746020
   0.05532464  0.18110634  0.48879267
   0.37866155  0.07958724  0.86566439
   0.17646148  0.39892898  0.59456068
   0.36475947  0.38485330  0.76168738
   0.16124029  0.71444053 -0.01872060
   0.39152010  0.61773479  0.34619124
   0.10628266  0.93114052  0.14618521
   0.35860089  0.88548914  0.26798553
   0.13676783  0.63033536  0.47560904
   0.37759993  0.67993892  0.82372733
   0.07329236  0.88581459  0.58075659
   0.35268100  0.91007703  0.67233679
   0.62506476  0.11441543  0.99177168
   0.84065305  0.18038797  0.32762760
   0.60576925  0.39603835  0.09440331
   0.89593218  0.39214088  0.18019585
   0.62609750  0.19646014  0.48973765
   0.88384668  0.12619064  0.86109337
   0.59861632  0.46888941  0.64123363
   0.81966624  0.42714983  0.76927586
   0.59382890  0.67072198 -0.01149263
   0.90500250  0.58460512  0.35746839
   0.60248189  0.91348094  0.13747818
   0.84770522  0.87345230  0.25482075
   0.64106095  0.65852685  0.46682556
   0.87817458  0.66030188  0.88809403
   0.67634920  0.91141263  0.58969992
   0.88987004  0.89152869  0.74658987
   0.10833470  0.09137254  0.09464647
   0.36607875  0.20035872  0.31038144
   0.18069028  0.31977519 -0.00294386
   0.35987322  0.46444476  0.32910529
   0.51830601  0.34346912  0.18360599
   0.27056420  0.38217999  0.17485036
   0.21267177  0.12986232  0.46184808
  -0.02931661  0.23003868  0.39083061
  -0.00427588  0.02734866  0.53578807
   0.39395214  0.25853819  0.85977532
   0.05599835  0.29075510  0.56515591
   0.34064876  0.52144783  0.82856391
   0.50063639  0.35014012  0.69464996
   0.22587324  0.36014191  0.70792592
   0.24197701  0.07090339 -0.06464496
  -0.02507531  0.18262224  0.94700802
   0.24084858  0.57448482  0.02887856
   0.35484491  0.72165718  0.25383304
   0.16285041  0.84184302  0.05370152
   0.38983880  0.94416832  0.37155427
   0.44863820  0.95054489  0.18522380
   0.19795245  0.91841893  0.24273601
   0.29001196  0.67166246  0.43363936
   0.05211397  0.54078889  0.39905965
   0.30372390  0.40439233  0.52402552
   0.38318466  0.75329163  0.71789384
   0.04860954  0.78009302  0.48822673
   0.34470051  0.98791187  0.78050154
   0.49777493  0.97136980  0.63514325
   0.23870391  0.89602003  0.59129693
   0.24803814  0.75100573 -0.11989909
   0.00485296  0.68362170  0.95943226
   0.66336257  0.04099207  0.08983144
   0.83066247  0.24124339  0.21573875
   0.60368020  0.27841873  0.01252627
   0.86078193  0.48341140  0.27348168
   0.02473099  0.49446234  0.12756137
   0.77803482  0.43312599  0.09495292
   0.69586198  0.22527591  0.38199065
   0.47801068  0.13493968  0.47572600
   0.70316207  0.06130363  0.53948304
   0.89397180  0.25469086  0.76599058
   0.63504833  0.34159522  0.54288582
   0.91583387  0.51379431  0.83127666
   1.11762126  0.56681592  0.58595794
   0.78179060  0.46691539  0.66419119
   0.74903833  0.09048233  0.91098940
   0.50366177  0.04739924  0.93723715
   0.54575512  0.53934722  0.05006709
   0.90453031  0.73031986  0.30288943
   0.58441524  0.81347054  0.04243016
   0.84565021  1.00783548  0.32637775
   0.95115199  0.88065907  0.16434418
   0.69099004  0.85914616  0.22713255
   0.78411537  0.58048387  0.43584718
   0.55160895  0.64221114  0.37132769
   0.56490708  0.58902383  0.55652817
   0.80735166  0.77597192  0.81359179
   0.66632178  0.82263791  0.48838473
   0.96080438  0.98927617  0.82439173
   1.01259933  0.82481238  0.68057525
   0.76036537  0.98773450  0.69648721
   0.75559862  0.60414252  0.96595643
   0.50968776  0.71070173  0.88202221
   0.69610588  0.77275434  0.63573131
   0.93201847  1.25405623  0.70610341
   1.02969597  0.26088938  0.20464619
   1.08237180  1.22078295  0.16085848
   0.31676166  0.09165933  0.62974235
   0.45579515  0.06051260  0.59865379
   0.45301095  1.29542825 -0.09352455
  -0.21750370  1.51973468  0.01822734
   0.71425728  0.40120352  0.83749446
   0.58912103  0.55567351  0.72837155
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.827469    0.550224    0.196248
    -0.000000    9.795673    0.148256
    -0.000000    0.000000   13.796436
   Si   O    H 
    32    64    10
Direct configuration=  3739
   0.12608078  0.15729272 -0.00791491
   0.35447449  0.09630256  0.40863957
   0.17622418  0.44078654  0.08177351
   0.38250378  0.34351317  0.25699734
   0.05493865  0.18040188  0.48803362
   0.37929606  0.07904771  0.86567979
   0.17738251  0.39964438  0.59519730
   0.36511501  0.38491807  0.76116768
   0.16200358  0.71437031 -0.01922044
   0.39247067  0.61763061  0.34643969
   0.10589006  0.93055910  0.14695537
   0.36028734  0.88524783  0.26798976
   0.13769220  0.63087145  0.47515134
   0.37735925  0.67839434  0.82395403
   0.07294567  0.88575301  0.57989482
   0.35211640  0.91018330  0.67293990
   0.62730542  0.11485396  0.99148254
   0.84042503  0.17977800  0.32723202
   0.60444224  0.39553053  0.09450403
   0.89706272  0.39215618  0.17946917
   0.62724951  0.19790737  0.48913152
   0.88496321  0.12654866  0.86038880
   0.59986350  0.46779049  0.64217873
   0.81853340  0.42684539  0.76887565
   0.59311052  0.67154694 -0.01078788
   0.90545034  0.58545700  0.35778251
   0.60352284  0.91171593  0.13758938
   0.84771473  0.87401514  0.25438091
   0.64099800  0.65699701  0.46698441
   0.87824801  0.66000021  0.88911659
   0.67658805  0.91261160  0.58992400
   0.89034317  0.89068743  0.74711336
   0.10728274  0.08983791  0.09616238
   0.36527547  0.19946258  0.30962176
   0.17998228  0.31890757 -0.00279862
   0.36098956  0.46451082  0.32970131
   0.51656737  0.34437453  0.18234526
   0.27066694  0.38271097  0.17535883
   0.21337691  0.13125642  0.46071569
  -0.02775583  0.23024835  0.39056815
  -0.00379759  0.02874148  0.53651908
   0.39305535  0.26040306  0.85888013
   0.05573952  0.29201750  0.56500047
   0.33933615  0.52491366  0.82575892
   0.50023276  0.35032668  0.69495854
   0.22444063  0.35826681  0.70819726
   0.24243397  0.07110652 -0.06375915
  -0.02555748  0.18167522  0.94667022
   0.24177677  0.57561758  0.02757887
   0.35564822  0.72176711  0.25263386
   0.16207099  0.84233956  0.05431949
   0.39000093  0.94389795  0.37119506
   0.44988715  0.95054779  0.18629574
   0.19886824  0.91783491  0.24154639
   0.29144481  0.67154160  0.43406537
   0.05031363  0.54101957  0.39966502
   0.30325776  0.40419365  0.52353246
   0.38198980  0.75302545  0.71762797
   0.04792480  0.78322510  0.48865948
   0.34406561  0.98956520  0.78138120
   0.49936103  0.97305178  0.63443030
   0.23984050  0.89492416  0.59132600
   0.24641303  0.75221536 -0.11875036
   0.00410584  0.68291015  0.96001828
   0.66588148  0.04180712  0.08947378
   0.83059944  0.24193587  0.21529855
   0.60205210  0.27833145  0.01385789
   0.86042198  0.48322755  0.27524848
   0.02592499  0.49364199  0.12910239
   0.77768158  0.43407841  0.09435724
   0.69806039  0.22541631  0.38060234
   0.47750722  0.13369319  0.47398045
   0.70355579  0.06000313  0.53759997
   0.89417100  0.25367885  0.76626337
   0.63412848  0.34293416  0.54338754
   0.91515833  0.51539018  0.83266498
   1.11762188  0.56681167  0.58675347
   0.78165840  0.46773501  0.66499375
   0.75013361  0.09151230  0.91110701
   0.50281898  0.04797411  0.93758438
   0.54400277  0.53812166  0.05038356
   0.90551880  0.72976921  0.30204560
   0.58414089  0.81311057  0.04242662
   0.84600919  1.00815962  0.32657147
   0.95086429  0.88205975  0.16492251
   0.68972530  0.86028012  0.22698297
   0.78434546  0.57821129  0.43408844
   0.55013441  0.64249619  0.37100698
   0.56602787  0.58775017  0.55790101
   0.80697693  0.77751345  0.81390212
   0.66617471  0.82231362  0.48846805
   0.96199574  0.98819844  0.82391311
   1.01262973  0.82381521  0.68043610
   0.76173810  0.98872076  0.69522596
   0.75818115  0.60398832  0.96542750
   0.50893095  0.70856923  0.88167462
   0.68642539  0.77364068  0.63232728
   0.93227795  1.25400134  0.69646441
   1.02927245  0.26221937  0.19886872
   1.08049727  1.21778436  0.16346720
   0.32250989  0.09153911  0.63180214
   0.44726389  0.05994558  0.60039550
   0.45319147  1.30123850 -0.09245896
  -0.21838279  1.51390063  0.02165764
   0.71584428  0.39779802  0.83993102
   0.58785694  0.55355478  0.73074071
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828638    0.552512    0.195836
    -0.000000    9.795566    0.144081
    -0.000000    0.000000   13.795751
   Si   O    H 
    32    64    10
Direct configuration=  3740
   0.12612559  0.15769067 -0.00754341
   0.35293858  0.09529028  0.40896482
   0.17674840  0.44215636  0.08038237
   0.38271104  0.34569295  0.25637515
   0.05448650  0.17879467  0.48698859
   0.37869792  0.07858147  0.86597121
   0.17826664  0.40018292  0.59552173
   0.36532417  0.38491770  0.76067332
   0.16288737  0.71384408 -0.01995529
   0.39328289  0.61823943  0.34650665
   0.10516324  0.92968114  0.14740092
   0.36188804  0.88521438  0.26794299
   0.13861317  0.63105495  0.47497998
   0.37743778  0.67762625  0.82396651
   0.07239819  0.88510831  0.57886867
   0.35187029  0.91054332  0.67320192
   0.62951407  0.11562004  0.99045396
   0.84066328  0.17886101  0.32710415
   0.60358826  0.39544252  0.09487038
   0.89835155  0.39212018  0.17897428
   0.62883350  0.19975813  0.48887465
   0.88629962  0.12778501  0.85973304
   0.60035261  0.46684661  0.64299540
   0.81772785  0.42650191  0.76866242
   0.59242416  0.67215077 -0.01079528
   0.90568445  0.58634554  0.35778106
   0.60413381  0.90978714  0.13784912
   0.84735751  0.87482477  0.25437712
   0.64169229  0.65539815  0.46742656
   0.87856959  0.65930806  0.89025053
   0.67678729  0.91341216  0.59052473
   0.88988615  0.88984159  0.74747660
   0.10620130  0.08878081  0.09859274
   0.36396962  0.19826132  0.30881659
   0.17825339  0.31807601 -0.00269925
   0.36255497  0.46427844  0.33016910
   0.51542240  0.34582527  0.18135008
   0.27053064  0.38366209  0.17606992
   0.21333137  0.13199620  0.45926883
  -0.02603672  0.23032578  0.39043973
  -0.00329141  0.02946809  0.53708715
   0.39152419  0.26302848  0.85790121
   0.05583143  0.29337008  0.56508831
   0.33741274  0.52654456  0.82393465
   0.49952787  0.35100707  0.69514732
   0.22399527  0.35646288  0.70873218
   0.24267339  0.07192086 -0.06319902
  -0.02607378  0.18145277  0.94672883
   0.24255354  0.57651654  0.02655055
   0.35652571  0.72141392  0.25148944
   0.16131793  0.84306941  0.05445153
   0.39022330  0.94408046  0.37114488
   0.45117618  0.95051456  0.18686669
   0.19961737  0.91763982  0.24010285
   0.29256967  0.67129846  0.43502054
   0.04894756  0.54227734  0.40011287
   0.30310981  0.40373997  0.52386320
   0.38090899  0.75293633  0.71786935
   0.04692474  0.78594081  0.48917837
   0.34311637  0.99154237  0.78130610
   0.50127121  0.97455686  0.63357173
   0.24058488  0.89400799  0.59174579
   0.24519876  0.75247821 -0.11829466
   0.00245036  0.68219247  0.96027661
   0.66827356  0.04278480  0.08984284
   0.82982708  0.24293579  0.21515714
   0.60040836  0.27797077  0.01429751
   0.85967862  0.48223549  0.27689944
   0.02637012  0.49192360  0.13055000
   0.77692288  0.43453015  0.09366603
   0.70016805  0.22582868  0.37977814
   0.47822672  0.13234881  0.47240564
   0.70433300  0.05982716  0.53588507
   0.89445706  0.25253652  0.76602032
   0.63411238  0.34457838  0.54395054
   0.91560964  0.51723834  0.83374184
   1.11734308  0.56646402  0.58852493
   0.78155164  0.46860252  0.66511507
   0.75019311  0.09267891  0.91110005
   0.50212919  0.04829325  0.93760965
   0.54229176  0.53712527  0.05088589
   0.90628093  0.72921282  0.30188610
   0.58457699  0.81233738  0.04249680
   0.84598447  1.00863336  0.32618709
   0.95003571  0.88284557  0.16481981
   0.68947392  0.86062370  0.22692049
   0.78443408  0.57638495  0.43261744
   0.54791632  0.64267771  0.37091293
   0.56702236  0.58659466  0.55878818
   0.80738974  0.77886194  0.81439629
   0.66550774  0.82143643  0.48839326
   0.96299513  0.98769369  0.82390290
   1.01246480  0.82371619  0.68093590
   0.76318569  0.98886711  0.69410883
   0.76047615  0.60362842  0.96522963
   0.50867132  0.70631555  0.88207780
   0.67985506  0.77385550  0.63195018
   0.93261823  1.25004763  0.69203789
   1.02652696  0.27370570  0.19938118
   1.08907009  1.21079033  0.16057424
   0.32720203  0.09045993  0.63376328
   0.44381297  0.05639850  0.60238471
   0.45368588  1.30515855 -0.09213179
  -0.21779696  1.50551044  0.02701020
   0.71335873  0.39331664  0.84312541
   0.58217993  0.55212810  0.73332859
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829779    0.554857    0.195192
    -0.000000    9.795293    0.139760
    -0.000000    0.000000   13.794512
   Si   O    H 
    32    64    10
Direct configuration=  3741
   0.12614808  0.15855711 -0.00747307
   0.35150228  0.09496351  0.40903644
   0.17716665  0.44368211  0.07979402
   0.38249825  0.34796181  0.25551460
   0.05462617  0.17715502  0.48579591
   0.37781518  0.07877387  0.86627277
   0.17913822  0.40115987  0.59581975
   0.36601874  0.38524752  0.75993454
   0.16340327  0.71301917 -0.02064223
   0.39390253  0.61899767  0.34650543
   0.10451502  0.92877332  0.14779869
   0.36266616  0.88432210  0.26819269
   0.13939485  0.63144602  0.47456588
   0.37755479  0.67755056  0.82374323
   0.07221529  0.88471074  0.57763281
   0.35187400  0.91077812  0.67414905
   0.63219983  0.11611509  0.98922166
   0.84111364  0.17828543  0.32703782
   0.60295141  0.39533108  0.09494490
   0.89951339  0.39195787  0.17846829
   0.63009774  0.20147261  0.48808124
   0.88800705  0.12894262  0.85910486
   0.60070050  0.46614238  0.64330993
   0.81670805  0.42626009  0.76862602
   0.59150161  0.67263030 -0.01154050
   0.90557802  0.58679445  0.35748048
   0.60512340  0.90828213  0.13771406
   0.84752884  0.87575101  0.25456475
   0.64278605  0.65423959  0.46804208
   0.87913857  0.65898068  0.89076634
   0.67695663  0.91313408  0.59121933
   0.88940365  0.88941261  0.74741499
   0.10574045  0.08741521  0.10114056
   0.36224808  0.19741393  0.30793689
   0.17628637  0.31746625 -0.00261631
   0.36366581  0.46468509  0.33011079
   0.51420272  0.34743792  0.18073005
   0.26937537  0.38456162  0.17545474
   0.21316072  0.13292114  0.45797091
  -0.02511106  0.23082627  0.39039330
  -0.00253685  0.03083936  0.53744416
   0.39037323  0.26554432  0.85710848
   0.05661682  0.29452458  0.56525472
   0.33573005  0.52719082  0.82214596
   0.49819317  0.35220628  0.69551600
   0.22293333  0.35523072  0.70937149
   0.24293923  0.07242713 -0.06260343
  -0.02708331  0.18079219  0.94723991
   0.24321253  0.57711790  0.02602296
   0.35762645  0.72080528  0.25050648
   0.16067487  0.84346360  0.05432091
   0.39061275  0.94344317  0.37133085
   0.45284194  0.95121910  0.18716950
   0.19913730  0.91808506  0.23874745
   0.29369402  0.67093861  0.43627768
   0.04939836  0.54339767  0.40045459
   0.30306549  0.40314656  0.52412154
   0.37959526  0.75368856  0.71766062
   0.04729430  0.78777929  0.48968250
   0.34206368  0.99309869  0.78075898
   0.50388504  0.97545637  0.63264886
   0.24122688  0.89306105  0.59175120
   0.24404221  0.75275129 -0.11776049
   0.00113958  0.68218422  0.96024109
   0.67082863  0.04348617  0.09050128
   0.82905995  0.24371143  0.21551841
   0.59880791  0.27727334  0.01456882
   0.85907754  0.48126535  0.27855281
   0.02724597  0.49005657  0.13191425
   0.77538387  0.43474077  0.09304939
   0.70186862  0.22582585  0.37904301
   0.47875944  0.13171386  0.47122101
   0.70435887  0.06035382  0.53369068
   0.89442514  0.25225954  0.76618888
   0.63488363  0.34589758  0.54456014
   0.91570651  0.51908333  0.83458302
   1.11753731  0.56559181  0.59036144
   0.78151372  0.46887355  0.66505897
   0.75054218  0.09306342  0.91107952
   0.50215636  0.04869593  0.93761859
   0.54131950  0.53709063  0.05133706
   0.90682098  0.72930789  0.30196041
   0.58536139  0.81194774  0.04312092
   0.84592667  1.00940654  0.32567712
   0.95013212  0.88385036  0.16444477
   0.68887429  0.86035209  0.22687477
   0.78399391  0.57533540  0.43182714
   0.54564724  0.64315756  0.37029251
   0.56806991  0.58484242  0.55999912
   0.80760735  0.78043851  0.81529412
   0.66454215  0.82066289  0.48803956
   0.96368403  0.98754937  0.82412546
   1.01214564  0.82435909  0.68132116
   0.76433775  0.98887432  0.69323183
   0.76171005  0.60415435  0.96516716
   0.50937047  0.70484907  0.88339757
   0.67452700  0.77149610  0.63327044
   0.93465330  1.24247840  0.69401179
   1.03033420  0.28394278  0.19634530
   1.09226618  1.20706269  0.15915871
   0.33193336  0.08975543  0.63673350
   0.44209975  0.05273390  0.60381480
   0.45023356  1.30594899 -0.09275735
  -0.21130604  1.49518602  0.03426907
   0.70964326  0.39091418  0.84579760
   0.57951904  0.55123098  0.73443842
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.830656    0.556475    0.194446
    -0.000000    9.794646    0.135343
    -0.000000    0.000000   13.793173
   Si   O    H 
    32    64    10
Direct configuration=  3742
   0.12652397  0.16012788 -0.00761269
   0.35083797  0.09501409  0.40855491
   0.17759552  0.44502810  0.07929954
   0.38267609  0.34987193  0.25480599
   0.05484203  0.17544932  0.48442212
   0.37672171  0.07936595  0.86692652
   0.18007254  0.40184473  0.59571926
   0.36628207  0.38589275  0.75870363
   0.16397161  0.71240232 -0.02113356
   0.39464760  0.62013665  0.34623277
   0.10372710  0.92756413  0.14847678
   0.36293345  0.88374303  0.26840374
   0.14002120  0.63243895  0.47475297
   0.37796717  0.67797136  0.82366564
   0.07211944  0.88463093  0.57639729
   0.35156301  0.91096581  0.67508589
   0.63437660  0.11647901  0.98797041
   0.84141195  0.17761602  0.32706241
   0.60287230  0.39532519  0.09516267
   0.90067919  0.39153459  0.17822847
   0.63170753  0.20297139  0.48768473
   0.88912785  0.13014803  0.85848126
   0.60107117  0.46573120  0.64363618
   0.81600914  0.42595579  0.76863539
   0.59073425  0.67219842 -0.01231583
   0.90532561  0.58743847  0.35679947
   0.60570384  0.90724781  0.13759081
   0.84765865  0.87582888  0.25527285
   0.64414695  0.65331154  0.46854029
   0.87958496  0.65873527  0.89128902
   0.67684057  0.91341831  0.59161927
   0.88851772  0.88909826  0.74739391
   0.10568705  0.08619677  0.10385467
   0.36032662  0.19705493  0.30707038
   0.17431440  0.31747631 -0.00298085
   0.36366888  0.46536442  0.33024069
   0.51229924  0.34892211  0.18078384
   0.26849813  0.38432238  0.17391114
   0.21284080  0.13312457  0.45682782
  -0.02395373  0.23017828  0.39018638
  -0.00207193  0.03224939  0.53829476
   0.38909876  0.26752409  0.85649100
   0.05801978  0.29530207  0.56550639
   0.33459595  0.52688526  0.82023589
   0.49705401  0.35295541  0.69627374
   0.22150903  0.35343662  0.70968896
   0.24394801  0.07238925 -0.06178944
  -0.02775038  0.18094809  0.94807706
   0.24362150  0.57740287  0.02607898
   0.35922213  0.71967176  0.24968423
   0.15973229  0.84420547  0.05408135
   0.39127321  0.94226474  0.37156646
   0.45456184  0.95137195  0.18727832
   0.19946644  0.91900924  0.23749559
   0.29389665  0.66925062  0.43709560
   0.05111268  0.54387488  0.40077119
   0.30259566  0.40313452  0.52416671
   0.37887501  0.75370794  0.71686245
   0.04768919  0.78822020  0.48943317
   0.34077702  0.99381527  0.78037458
   0.50579044  0.97627513  0.63194649
   0.24109041  0.89266943  0.59191499
   0.24227775  0.75215007 -0.11726345
   0.00054557  0.68275100  0.96039502
   0.67249098  0.04443728  0.09078869
   0.82844205  0.24474643  0.21584011
   0.59718838  0.27674305  0.01437765
   0.85908148  0.48008785  0.27984732
   0.02851223  0.48880258  0.13295259
   0.77342919  0.43507393  0.09250211
   0.70245799  0.22609702  0.37889454
   0.47931587  0.13159122  0.47043201
   0.70389639  0.06035649  0.53175122
   0.89485686  0.25139810  0.76596136
   0.63673310  0.34643224  0.54484484
   0.91643801  0.52113879  0.83554027
   1.11781204  0.56406489  0.59244061
   0.78216233  0.46988573  0.66450143
   0.75085148  0.09353391  0.91075070
   0.50205235  0.04863919  0.93759195
   0.54056094  0.53772182  0.05097082
   0.90710590  0.73022392  0.30247303
   0.58512934  0.81131285  0.04366407
   0.84632951  1.00980841  0.32502975
   0.95042070  0.88492080  0.16384951
   0.68916425  0.86030430  0.22690063
   0.78283397  0.57494334  0.43218813
   0.54369748  0.64439484  0.36941542
   0.56913141  0.58361073  0.56061456
   0.80831325  0.78078040  0.81626131
   0.66364218  0.81968857  0.48732136
   0.96423582  0.98763515  0.82444296
   1.01186877  0.82491806  0.68145864
   0.76628468  0.98903909  0.69150605
   0.76204605  0.60504916  0.96530490
   0.51086037  0.70334260  0.88502294
   0.67391178  0.76815600  0.63689068
   0.93168803  1.23526815  0.70183582
   1.03611968  0.28878936  0.18981731
   1.08970471  1.20958882  0.16136902
   0.33539608  0.08876411  0.63818925
   0.44070915  0.05321062  0.60624858
   0.44237294  1.30489903 -0.09333847
  -0.20188142  1.48674149  0.03737502
   0.70690225  0.39189840  0.84363277
   0.57970498  0.54756070  0.73475193
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831315    0.557711    0.193968
    -0.000000    9.793809    0.131027
    -0.000000    0.000000   13.791620
   Si   O    H 
    32    64    10
Direct configuration=  3743
   0.12703407  0.16175109 -0.00778844
   0.35104026  0.09577490  0.40743952
   0.17812495  0.44646037  0.07896885
   0.38269433  0.35068935  0.25405443
   0.05525678  0.17447926  0.48366035
   0.37568943  0.08050021  0.86772902
   0.18095133  0.40272315  0.59597476
   0.36617600  0.38656829  0.75774348
   0.16470606  0.71174523 -0.02124089
   0.39485050  0.62113728  0.34614403
   0.10347265  0.92674125  0.14847693
   0.36262952  0.88275441  0.26823923
   0.14049232  0.63339254  0.47522707
   0.37844969  0.67982811  0.82362337
   0.07218289  0.88496908  0.57528852
   0.35162213  0.91164507  0.67573475
   0.63653460  0.11743658  0.98650034
   0.84142552  0.17677833  0.32672201
   0.60252914  0.39526271  0.09526690
   0.90194547  0.39173455  0.17810454
   0.63348570  0.20456691  0.48743051
   0.89017736  0.13079637  0.85828358
   0.60104780  0.46592753  0.64379576
   0.81510280  0.42604538  0.76915376
   0.59057381  0.67138777 -0.01331396
   0.90497616  0.58749005  0.35592852
   0.60555961  0.90642782  0.13752238
   0.84778490  0.87536116  0.25637758
   0.64526576  0.65233077  0.46889342
   0.87951482  0.65867842  0.89179239
   0.67688728  0.91331269  0.59175062
   0.88783280  0.88899763  0.74726467
   0.10539168  0.08571484  0.10585976
   0.35904544  0.19709012  0.30649113
   0.17298827  0.31811679 -0.00325735
   0.36421609  0.46576454  0.33042570
   0.51023330  0.35060078  0.18154336
   0.26733883  0.38493057  0.17205607
   0.21202340  0.13345881  0.45573139
  -0.02344466  0.22956648  0.38957555
  -0.00053761  0.03339937  0.53885991
   0.38815983  0.26963228  0.85562398
   0.05948124  0.29562223  0.56536913
   0.33364889  0.52552497  0.81807628
   0.49585022  0.35453401  0.69735243
   0.22061951  0.35218861  0.70962199
   0.24471253  0.07287453 -0.06150228
  -0.02762155  0.18225116  0.94912962
   0.24365985  0.57713670  0.02628665
   0.36112306  0.71729909  0.24948569
   0.15972735  0.84460149  0.05399697
   0.39178860  0.94151295  0.37200050
   0.45599639  0.95184751  0.18703600
   0.19961194  0.92027628  0.23678450
   0.29322694  0.66794965  0.43853613
   0.05423642  0.54458102  0.40128289
   0.30230492  0.40246351  0.52341545
   0.37916587  0.75411805  0.71609822
   0.04802575  0.78807442  0.48893769
   0.33985618  0.99399914  0.77958258
   0.50622927  0.97643275  0.63197048
   0.24026008  0.89183700  0.59192064
   0.24045590  0.75180471 -0.11698300
   0.00127591  0.68258599  0.96040169
   0.67411828  0.04458024  0.09069803
   0.82825579  0.24488542  0.21579301
   0.59567450  0.27603405  0.01366225
   0.85970818  0.47855992  0.28045231
   0.02918520  0.48831764  0.13352052
   0.77205577  0.43442040  0.09264928
   0.70254196  0.22743587  0.37879035
   0.48038988  0.13179527  0.46981733
   0.70418843  0.06019201  0.53044357
   0.89502921  0.25087347  0.76652626
   0.63895253  0.34664627  0.54566150
   0.91597314  0.52208433  0.83585974
   1.11756395  0.56300324  0.59446951
   0.78270925  0.47087106  0.66339251
   0.75090992  0.09385132  0.90970995
   0.50286522  0.04946984  0.93791572
   0.54023253  0.53783624  0.05102629
   0.90760442  0.73163357  0.30268743
   0.58571895  0.81135389  0.04399391
   0.84665043  1.00872942  0.32385359
   0.95137547  0.88589318  0.16302147
   0.69009329  0.86013912  0.22726385
   0.78251721  0.57507270  0.43211960
   0.54312327  0.64525843  0.36896831
   0.56944380  0.58299549  0.56127068
   0.80944596  0.78169613  0.81724455
   0.66271764  0.81833418  0.48603639
   0.96443397  0.98807423  0.82440512
   1.01245871  0.82530669  0.68162716
   0.76820494  0.98911003  0.69022930
   0.76197325  0.60755654  0.96556393
   0.51291189  0.70207403  0.88704056
   0.67228028  0.76474570  0.64218841
   0.93312505  1.22636798  0.70631302
   1.04796731  0.28746915  0.18181050
   1.08229399  1.21217134  0.16342377
   0.34177055  0.08670260  0.63951604
   0.44132368  0.06024388  0.60505306
   0.43843410  1.30230921 -0.08976525
  -0.18812946  1.48652445  0.03020557
   0.70671299  0.39488830  0.83661482
   0.58079499  0.54486841  0.73626902
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831847    0.558813    0.192840
    -0.000000    9.793215    0.126799
    -0.000000    0.000000   13.789491
   Si   O    H 
    32    64    10
Direct configuration=  3744
   0.12714338  0.16313849 -0.00793386
   0.35145556  0.09678467  0.40636675
   0.17932913  0.44734997  0.07867272
   0.38241762  0.35122586  0.25339398
   0.05533026  0.17358266  0.48310473
   0.37463054  0.08202181  0.86864101
   0.18161846  0.40300267  0.59597767
   0.36562235  0.38706282  0.75696796
   0.16513045  0.71154702 -0.02068657
   0.39452078  0.62237286  0.34632633
   0.10293864  0.92556280  0.14881623
   0.36187610  0.88164726  0.26800775
   0.14095404  0.63438388  0.47587477
   0.37865038  0.68156679  0.82381370
   0.07259873  0.88496124  0.57456315
   0.35234528  0.91239411  0.67602923
   0.63895499  0.11808678  0.98580492
   0.84135912  0.17627226  0.32656721
   0.60209160  0.39527331  0.09537101
   0.90309643  0.39184736  0.17849284
   0.63499808  0.20513901  0.48709759
   0.89084053  0.13126331  0.85806190
   0.60101708  0.46619218  0.64366915
   0.81480980  0.42635376  0.76967388
   0.59133290  0.67089335 -0.01423335
   0.90484834  0.58752066  0.35522564
   0.60492332  0.90613344  0.13749146
   0.84854426  0.87505280  0.25787419
   0.64576679  0.65130753  0.46900351
   0.87930011  0.65919283  0.89230099
   0.67676539  0.91291015  0.59174743
   0.88708303  0.88927775  0.74788495
   0.10567208  0.08600687  0.10795083
   0.35780142  0.19742058  0.30540030
   0.17162306  0.31920509 -0.00335632
   0.36485998  0.46605575  0.33050905
   0.50925654  0.35192747  0.18303020
   0.26653616  0.38543778  0.17041572
   0.21031541  0.13353275  0.45479852
  -0.02240698  0.22895377  0.38850052
   0.00093370  0.03459815  0.54001349
   0.38665192  0.27035499  0.85425964
   0.06180264  0.29546750  0.56507262
   0.33373993  0.52367958  0.81641214
   0.49522704  0.35522246  0.69806424
   0.22095034  0.35142248  0.70972038
   0.24523630  0.07407733 -0.06149612
  -0.02658126  0.18352639  0.94999745
   0.24309572  0.57696513  0.02693567
   0.36292723  0.71524647  0.24966901
   0.16024213  0.84481651  0.05337142
   0.39244011  0.94085927  0.37255521
   0.45789717  0.95145563  0.18651758
   0.20087843  0.92155527  0.23625808
   0.29244236  0.66701691  0.43988543
   0.05782984  0.54536866  0.40209643
   0.30239919  0.40216979  0.52186726
   0.37940850  0.75460872  0.71523832
   0.04871583  0.78719400  0.48826604
   0.33867052  0.99390864  0.77808815
   0.50634979  0.97571122  0.63201767
   0.23946393  0.89128194  0.59159225
   0.23924357  0.75160896 -0.11660654
   0.00203507  0.68315599  0.96051463
   0.67597270  0.04507188  0.09034636
   0.82818987  0.24511657  0.21602920
   0.59339794  0.27550779  0.01291745
   0.85990606  0.47692094  0.28082927
   0.02992588  0.48748518  0.13319467
   0.77071532  0.43409687  0.09275356
   0.70274291  0.22928205  0.37912125
   0.48233930  0.13192332  0.46958582
   0.70501761  0.06015608  0.52949622
   0.89462826  0.25024390  0.76796528
   0.64089572  0.34648245  0.54644025
   0.91560675  0.52134269  0.83504427
   1.11796400  0.56244259  0.59648320
   0.78392810  0.47101800  0.66244219
   0.75127578  0.09354428  0.90802329
   0.50365468  0.04962567  0.93790131
   0.53939980  0.53824844  0.05079338
   0.90827603  0.73253131  0.30228634
   0.58682009  0.81081303  0.04457779
   0.84742720  1.00742078  0.32290698
   0.95220143  0.88650201  0.16275063
   0.69148148  0.85920659  0.22792064
   0.78199100  0.57527908  0.43265940
   0.54319162  0.64605185  0.36945906
   0.56937257  0.58288994  0.56168916
   0.81060646  0.78206416  0.81868638
   0.66163381  0.81745860  0.48505436
   0.96455820  0.98828520  0.82355933
   1.01308596  0.82563051  0.68102867
   0.76964902  0.98836366  0.68965560
   0.76097612  0.61034221  0.96697419
   0.51527352  0.70121994  0.88850564
   0.66970312  0.76572405  0.64898510
   0.94161194  1.21389280  0.70142920
   1.05679067  0.29362850  0.17615707
   1.07807157  1.20318797  0.16106697
   0.34514631  0.08826901  0.63624698
   0.44185372  0.06989396  0.60425903
   0.43971084  1.30180210 -0.08641942
  -0.18151201  1.48247500  0.02730462
   0.70333893  0.39786198  0.83015657
   0.58349945  0.54358479  0.73665576
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832221    0.559672    0.191111
    -0.000000    9.792128    0.122872
    -0.000000    0.000000   13.787461
   Si   O    H 
    32    64    10
Direct configuration=  3745
   0.12695334  0.16461091 -0.00780319
   0.35192081  0.09785152  0.40531632
   0.17971767  0.44784562  0.07885918
   0.38174330  0.35124188  0.25278412
   0.05524195  0.17276371  0.48282644
   0.37338102  0.08345525  0.86940276
   0.18228487  0.40302615  0.59615374
   0.36475087  0.38747615  0.75677378
   0.16539349  0.71145971 -0.01973698
   0.39336280  0.62279419  0.34685466
   0.10260988  0.92412302  0.14876279
   0.36037507  0.88080012  0.26761692
   0.14155814  0.63554206  0.47627771
   0.37910165  0.68322463  0.82400723
   0.07311007  0.88600599  0.57354887
   0.35280870  0.91378165  0.67629879
   0.64140250  0.11801870  0.98570135
   0.84157207  0.17565269  0.32648066
   0.60108390  0.39547872  0.09491791
   0.90407505  0.39166397  0.17875171
   0.63633199  0.20564905  0.48663656
   0.89239970  0.13201795  0.85744339
   0.60093629  0.46631875  0.64328489
   0.81487574  0.42713682  0.77083913
   0.59304933  0.66992898 -0.01454886
   0.90493826  0.58762196  0.35496790
   0.60469398  0.90629603  0.13764146
   0.84931122  0.87432710  0.25958662
   0.64536946  0.65079543  0.46853877
   0.87861721  0.66081800  0.89270608
   0.67618472  0.91249049  0.59202479
   0.88602694  0.88945801  0.74835366
   0.10627699  0.08748985  0.10875768
   0.35662086  0.19736936  0.30408022
   0.17109536  0.32052212 -0.00322845
   0.36485244  0.46604409  0.33080591
   0.50958605  0.35302610  0.18427116
   0.26509127  0.38581576  0.16899442
   0.20842969  0.13364410  0.45362060
  -0.02216185  0.22848016  0.38700109
   0.00251346  0.03535678  0.54088532
   0.38456550  0.26975890  0.85331065
   0.06369051  0.29476844  0.56526159
   0.33380067  0.52192598  0.81522240
   0.49468978  0.35564375  0.69838869
   0.22212750  0.35003686  0.70986121
   0.24547402  0.07483093 -0.06197817
  -0.02554175  0.18461993  0.95144893
   0.24293612  0.57637801  0.02719721
   0.36451079  0.71309401  0.24953792
   0.16102819  0.84464817  0.05243863
   0.39302580  0.93953683  0.37290476
   0.45989286  0.95079142  0.18613185
   0.20260110  0.92192147  0.23618770
   0.29199979  0.66670787  0.44077758
   0.06057896  0.54647812  0.40239656
   0.30286080  0.40153312  0.52049183
   0.37957305  0.75447106  0.71454155
   0.04871917  0.78641884  0.48830083
   0.33757604  0.99395610  0.77715986
   0.50767305  0.97350882  0.63211982
   0.23845085  0.89006401  0.59175701
   0.23880063  0.75145867 -0.11623859
   0.00309447  0.68358885  0.96032357
   0.67692039  0.04528539  0.08999543
   0.82871253  0.24582522  0.21611189
   0.59130382  0.27482605  0.01191734
   0.86025515  0.47483097  0.28088990
   0.03116313  0.48702411  0.13278227
   0.76988727  0.43363858  0.09312623
   0.70291534  0.23164658  0.37995469
   0.48438189  0.13274419  0.46935122
   0.70599073  0.06076506  0.52820310
   0.89361984  0.24933496  0.76855451
   0.64219325  0.34642537  0.54750458
   0.91576929  0.52039867  0.83312860
   1.11803771  0.56202679  0.59800736
   0.78467480  0.47114347  0.66120923
   0.75207252  0.09255280  0.90543629
   0.50496361  0.05011340  0.93770456
   0.53895555  0.53838431  0.05050717
   0.90941376  0.73335865  0.30180906
   0.58790971  0.81045476  0.04507466
   0.84842330  1.00698906  0.32204931
   0.95291651  0.88565732  0.16251736
   0.69352103  0.85758933  0.22809047
   0.78109604  0.57564530  0.43334339
   0.54404990  0.64669992  0.37025107
   0.56905933  0.58315386  0.56206592
   0.81187904  0.78196017  0.82065027
   0.66046508  0.81580163  0.48398264
   0.96477373  0.98921832  0.82252942
   1.01345577  0.82608111  0.68070895
   0.77177671  0.98781642  0.68924901
   0.75917094  0.61273374  0.96847917
   0.51722168  0.69996888  0.88970843
   0.67317219  0.77470829  0.65528720
   0.94406784  1.20612740  0.70099747
   1.06477448  0.29441797  0.17271977
   1.06933121  1.19656469  0.16119592
   0.34111716  0.09431076  0.63258267
   0.44213542  0.07725473  0.60522191
   0.43743419  1.30143939 -0.08913053
  -0.18220100  1.47987023  0.02731722
   0.69551810  0.39826710  0.82750590
   0.58667943  0.54446721  0.73823954
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.832986    0.560510    0.189014
    -0.000000    9.791632    0.119321
    -0.000000    0.000000   13.785121
   Si   O    H 
    32    64    10
Direct configuration=  3746
   0.12713462  0.16505965 -0.00748059
   0.35283309  0.09880029  0.40425867
   0.17992340  0.44819391  0.07885519
   0.38020333  0.35114612  0.25246084
   0.05475090  0.17280868  0.48273950
   0.37244967  0.08489252  0.87004653
   0.18283615  0.40294818  0.59634036
   0.36382769  0.38769149  0.75655470
   0.16520564  0.71143783 -0.01897330
   0.39204418  0.62333265  0.34733324
   0.10213533  0.92319158  0.14875510
   0.35877691  0.87993956  0.26707119
   0.14165786  0.63651763  0.47679624
   0.37893682  0.68502937  0.82435620
   0.07367172  0.88644945  0.57294065
   0.35322792  0.91506644  0.67645373
   0.64329913  0.11730825  0.98601836
   0.84254569  0.17510876  0.32620612
   0.60006037  0.39560208  0.09446681
   0.90497065  0.39141379  0.17900505
   0.63762053  0.20647942  0.48652477
   0.89382010  0.13242133  0.85743326
   0.60095276  0.46622866  0.64285170
   0.81506241  0.42836814  0.77134680
   0.59457319  0.66882129 -0.01455705
   0.90510856  0.58736627  0.35516830
   0.60445551  0.90702414  0.13792290
   0.85099987  0.87398578  0.26100614
   0.64410422  0.65069460  0.46840020
   0.87806519  0.66201957  0.89311306
   0.67465416  0.91241504  0.59224807
   0.88516087  0.89002074  0.74877273
   0.10669927  0.08908063  0.10900355
   0.35530643  0.19828884  0.30293292
   0.17087650  0.32215435 -0.00274117
   0.36469065  0.46664269  0.33149125
   0.51020722  0.35405954  0.18565525
   0.26421240  0.38650480  0.16760964
   0.20725945  0.13357359  0.45270289
  -0.02274056  0.22736858  0.38594866
   0.00376052  0.03582312  0.54119258
   0.38182548  0.26866717  0.85307035
   0.06518246  0.29437996  0.56550819
   0.33418067  0.52108109  0.81427180
   0.49489489  0.35594862  0.69807096
   0.22290879  0.34842844  0.71002677
   0.24545376  0.07545271 -0.06236530
  -0.02459716  0.18605884  0.95303814
   0.24226942  0.57525198  0.02775334
   0.36624419  0.71203801  0.24912886
   0.16176836  0.84395313  0.05168562
   0.39289112  0.93800992  0.37295756
   0.46127278  0.95128730  0.18616213
   0.20385927  0.92291333  0.23696166
   0.29111930  0.66733980  0.44030100
   0.06285473  0.54675478  0.40297038
   0.30395233  0.40052014  0.51947849
   0.38016721  0.75406655  0.71389374
   0.04935819  0.78513354  0.48849914
   0.33549259  0.99511448  0.77674583
   0.50901136  0.97121883  0.63237653
   0.23714309  0.88932739  0.59228219
   0.23982054  0.75118839 -0.11594718
   0.00440978  0.68447931  0.96005819
   0.67784709  0.04578193  0.08982805
   0.83063326  0.24697507  0.21548810
   0.58894318  0.27443103  0.01104531
   0.86015191  0.47320123  0.28037586
   0.03282732  0.48658556  0.13259612
   0.76922275  0.43392349  0.09397030
   0.70316788  0.23356962  0.38007754
   0.48613845  0.13418537  0.46951928
   0.70620270  0.06074166  0.52684219
   0.89233844  0.24820147  0.76881837
   0.64419740  0.34553791  0.54859335
   0.91530990  0.51987501  0.83163401
   1.11722697  0.56210434  0.59870253
   0.78520694  0.47083604  0.66055025
   0.75344891  0.09156633  0.90250634
   0.50658318  0.05054895  0.93710999
   0.53875142  0.53882605  0.05050811
   0.90941224  0.73393222  0.30109232
   0.58818328  0.80990902  0.04592647
   0.84925058  1.00737700  0.32128583
   0.95305318  0.88511266  0.16253187
   0.69539404  0.85559637  0.22815416
   0.78162169  0.57622061  0.43421300
   0.54475439  0.64732899  0.37090224
   0.56872638  0.58312888  0.56254789
   0.81356701  0.78197342  0.82236215
   0.65991270  0.81474847  0.48379750
   0.96527699  0.99014781  0.82171147
   1.01328852  0.82689182  0.68043418
   0.77471267  0.98736571  0.68872124
   0.75688682  0.61595115  0.96984922
   0.51713864  0.69907714  0.88996613
   0.67354768  0.78778142  0.65698079
   0.93926052  1.20759334  0.70468826
   1.06741841  0.28876686  0.17232964
   1.06355286  1.19147141  0.16088556
   0.34254180  0.10104267  0.62751867
   0.44466475  0.08279625  0.60645596
   0.43101635  1.29572775 -0.09443052
  -0.18910277  1.47984159  0.03038990
   0.68750615  0.39702847  0.82473131
   0.58763650  0.54846126  0.73893573
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833554    0.561979    0.186813
    -0.000000    9.790643    0.116354
    -0.000000    0.000000   13.782740
   Si   O    H 
    32    64    10
Direct configuration=  3747
   0.12714350  0.16546799 -0.00655546
   0.35433184  0.09939532  0.40352400
   0.17990779  0.44827595  0.07919378
   0.37868941  0.35048410  0.25223066
   0.05485415  0.17291257  0.48214459
   0.37220065  0.08657206  0.87088857
   0.18273898  0.40315353  0.59642423
   0.36338954  0.38762471  0.75690475
   0.16486171  0.71184351 -0.01779617
   0.39042733  0.62383191  0.34796319
   0.10190806  0.92236543  0.14836321
   0.35731467  0.87915546  0.26608082
   0.14235704  0.63738108  0.47751971
   0.37867125  0.68632885  0.82446412
   0.07470070  0.88684124  0.57272893
   0.35380664  0.91590601  0.67617015
   0.64465190  0.11684517  0.98662285
   0.84432364  0.17501175  0.32628328
   0.59901853  0.39558959  0.09424694
   0.90599366  0.39098569  0.17928138
   0.63894621  0.20712793  0.48671050
   0.89500835  0.13283755  0.85778070
   0.60092454  0.46621939  0.64265107
   0.81533981  0.43009015  0.77193448
   0.59555124  0.66738158 -0.01411279
   0.90621503  0.58708783  0.35551854
   0.60391247  0.90783913  0.13807069
   0.85214981  0.87371389  0.26195474
   0.64227329  0.65031182  0.46824759
   0.87685438  0.66328686  0.89360020
   0.67258494  0.91320469  0.59241050
   0.88470847  0.89040498  0.74927119
   0.10692105  0.09159807  0.10951473
   0.35366703  0.19936634  0.30151397
   0.17032058  0.32341845 -0.00228564
   0.36407303  0.46740846  0.33254781
   0.51158788  0.35494606  0.18714456
   0.26403680  0.38704821  0.16665376
   0.20735178  0.13280691  0.45150825
  -0.02339675  0.22536415  0.38418127
   0.00439057  0.03588256  0.54181662
   0.37830937  0.26650031  0.85240382
   0.06576990  0.29469885  0.56602065
   0.33547407  0.52136846  0.81336274
   0.49592647  0.35534196  0.69799531
   0.22371390  0.34634673  0.70976656
   0.24527334  0.07596151 -0.06202089
  -0.02471507  0.18776234  0.95405582
   0.24227528  0.57471050  0.02810865
   0.36802801  0.71073543  0.24870236
   0.16330911  0.84323016  0.05085246
   0.39302652  0.93693100  0.37300315
   0.46143248  0.95156875  0.18588107
   0.20519858  0.92397050  0.23747242
   0.29048923  0.66736044  0.43979865
   0.06439842  0.54732614  0.40338138
   0.30470854  0.39994454  0.51867901
   0.38086167  0.75336343  0.71312313
   0.05050644  0.78344087  0.48817987
   0.33359635  0.99634163  0.77690732
   0.51030285  0.96944238  0.63271785
   0.23621142  0.88886979  0.59280708
   0.24042799  0.75105179 -0.11587676
   0.00509158  0.68539224  0.95979255
   0.67897151  0.04611383  0.08938607
   0.83293046  0.24706598  0.21558669
   0.58634871  0.27484355  0.01075109
   0.86050372  0.47175809  0.27964584
   0.03406155  0.48718607  0.13234805
   0.76863075  0.43430325  0.09495021
   0.70350423  0.23500973  0.38031613
   0.48820084  0.13574788  0.46959267
   0.70650297  0.06055887  0.52573091
   0.89249619  0.24653666  0.76868532
   0.64625172  0.34379552  0.54981840
   0.91525308  0.51845383  0.82994700
   1.11699516  0.56251083  0.59902267
   0.78566256  0.47035821  0.66019408
   0.75487190  0.09122288  0.89986193
   0.50868094  0.05138458  0.93619195
   0.53853220  0.53971489  0.05004282
   0.90944004  0.73426960  0.30017992
   0.58893431  0.80860162  0.04649391
   0.84974012  1.00816645  0.32054735
   0.95237523  0.88469649  0.16298559
   0.69798584  0.85361594  0.22830008
   0.78261062  0.57614961  0.43527748
   0.54568882  0.64706931  0.37253221
   0.56775792  0.58401261  0.56353575
   0.81478926  0.78100887  0.82415927
   0.65967784  0.81404081  0.48329136
   0.96578441  0.99107579  0.82056388
   1.01298815  0.82748579  0.67948068
   0.77661247  0.98594443  0.68837781
   0.75526210  0.61927307  0.97114858
   0.51769392  0.69886273  0.88943641
   0.67832365  0.79911453  0.65893463
   0.92746977  1.21257018  0.71623060
   1.06263449  0.28407353  0.17550334
   1.06136349  1.18927244  0.15819273
   0.34934920  0.10466058  0.62065525
   0.44297292  0.08646080  0.60728153
   0.43285504  1.29993702 -0.09117118
  -0.19845367  1.47868393  0.03599163
   0.68626181  0.39619044  0.82361210
   0.58750010  0.55341294  0.73557861
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.834307    0.562857    0.184585
    -0.000000    9.789429    0.114038
    -0.000000    0.000000   13.780517
   Si   O    H 
    32    64    10
Direct configuration=  3748
   0.12709908  0.16619846 -0.00596637
   0.35611754  0.10006013  0.40292225
   0.17995684  0.44842547  0.07918887
   0.37691933  0.34997851  0.25196361
   0.05480651  0.17312984  0.48162580
   0.37155923  0.08802985  0.87131770
   0.18329038  0.40379043  0.59622787
   0.36225896  0.38699660  0.75717167
   0.16412547  0.71240198 -0.01613234
   0.38886567  0.62459972  0.34851698
   0.10266932  0.92191093  0.14739535
   0.35632066  0.87817750  0.26521997
   0.14324738  0.63770489  0.47866280
   0.37819985  0.68724706  0.82411923
   0.07454331  0.88691389  0.57245104
   0.35390360  0.91769205  0.67538956
   0.64567188  0.11669111  0.98714864
   0.84530657  0.17537432  0.32628977
   0.59834114  0.39544582  0.09365039
   0.90731883  0.39036803  0.17975227
   0.63997724  0.20723919  0.48721625
   0.89615972  0.13334086  0.85823431
   0.60146845  0.46624596  0.64228019
   0.81482209  0.43190927  0.77179043
   0.59662929  0.66586684 -0.01400520
   0.90711788  0.58661312  0.35557319
   0.60311615  0.90847453  0.13802704
   0.85300682  0.87301480  0.26253998
   0.64010191  0.65044629  0.46800240
   0.87590997  0.66471023  0.89437668
   0.67020373  0.91406629  0.59199098
   0.88460421  0.89093217  0.74947754
   0.10769699  0.09384245  0.11017178
   0.35188364  0.20012117  0.30026335
   0.16977901  0.32489972 -0.00176697
   0.36384973  0.46696803  0.33384050
   0.51370514  0.35578184  0.18816944
   0.26450349  0.38785436  0.16585168
   0.20777204  0.13149253  0.45017868
  -0.02371628  0.22403788  0.38253241
   0.00439846  0.03535136  0.54206324
   0.37550928  0.26409284  0.85083020
   0.06633759  0.29492878  0.56648567
   0.33816234  0.52205472  0.81291058
   0.49676528  0.35433077  0.69784967
   0.22384132  0.34478223  0.70921575
   0.24465184  0.07621851 -0.06137296
  -0.02499421  0.18961991  0.95451861
   0.24242574  0.57479347  0.02843132
   0.36858403  0.71006726  0.24775485
   0.16435691  0.84321964  0.05079244
   0.39288149  0.93585683  0.37253990
   0.46039203  0.95234463  0.18600257
   0.20625396  0.92465508  0.23798749
   0.29014807  0.66745227  0.43971894
   0.06429914  0.54769904  0.40299302
   0.30522016  0.39988108  0.51833068
   0.38186965  0.75159408  0.71312097
   0.05184831  0.78196255  0.48738343
   0.33258236  0.99774658  0.77736168
   0.51087002  0.96824374  0.63332371
   0.23551517  0.88919488  0.59374171
   0.24141878  0.75187035 -0.11624776
   0.00624904  0.68661626  0.95954177
   0.68005935  0.04551218  0.08911463
   0.83490023  0.24718570  0.21588502
   0.58484645  0.27490901  0.01058929
   0.86126541  0.47104833  0.27895911
   0.03495938  0.48849715  0.13228160
   0.76667843  0.43430618  0.09612467
   0.70433396  0.23606387  0.38045704
   0.48938597  0.13678683  0.46954461
   0.70637861  0.06131705  0.52481321
   0.89177735  0.24570915  0.77073388
   0.64790062  0.34287175  0.55134349
   0.91458747  0.51710144  0.82888719
   1.11662156  0.56355923  0.59891384
   0.78653972  0.46988762  0.66001733
   0.75543222  0.09148168  0.89729673
   0.51044942  0.05243879  0.93480218
   0.53767980  0.54086750  0.04940883
   0.90916888  0.73299905  0.29974961
   0.59012443  0.80729400  0.04703077
   0.84956818  1.00923342  0.31953153
   0.95178205  0.88404524  0.16393420
   0.70032251  0.85184685  0.22822535
   0.78420717  0.57621787  0.43556175
   0.54652250  0.64655679  0.37373905
   0.56671646  0.58529144  0.56411477
   0.81536567  0.78097758  0.82590629
   0.66044989  0.81316312  0.48314969
   0.96565256  0.99240269  0.81945857
   1.01275367  0.82814334  0.67893747
   0.77889906  0.98430746  0.68808517
   0.75365418  0.62370807  0.97208737
   0.51793348  0.69815671  0.88898532
   0.68236763  0.80512266  0.66222895
   0.93440465  1.19980227  0.70120754
   1.05143477  0.28261557  0.17897870
   1.06119280  1.19228696  0.15494417
   0.35877051  0.10817425  0.61193919
   0.43507065  0.09328534  0.60497889
   0.43141128  1.30395365 -0.09181308
  -0.20779266  1.48551519  0.03774884
   0.68612783  0.39536182  0.82322181
   0.58387914  0.55962555  0.73323466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835200    0.563763    0.182565
    -0.000000    9.787977    0.111004
    -0.000000    0.000000   13.778491
   Si   O    H 
    32    64    10
Direct configuration=  3749
   0.12703978  0.16724868 -0.00541755
   0.35765381  0.10062080  0.40243391
   0.17935070  0.44880883  0.07962372
   0.37511409  0.34986955  0.25168995
   0.05528969  0.17346358  0.48132515
   0.37128857  0.08893104  0.87168584
   0.18403591  0.40426337  0.59594086
   0.36153283  0.38545710  0.75664569
   0.16353540  0.71355006 -0.01463493
   0.38757247  0.62523374  0.34920134
   0.10335177  0.92159169  0.14641686
   0.35593246  0.87684988  0.26426577
   0.14387599  0.63708940  0.47998051
   0.37778567  0.68768364  0.82412799
   0.07467313  0.88626399  0.57266634
   0.35413533  0.91858859  0.67497035
   0.64652096  0.11644412  0.98755037
   0.84612245  0.17533990  0.32603369
   0.59828854  0.39529719  0.09293218
   0.90856709  0.38999446  0.18006450
   0.64045739  0.20691481  0.48766843
   0.89791409  0.13400761  0.85879178
   0.60241325  0.46686623  0.64179997
   0.81352666  0.43340400  0.77174272
   0.59782006  0.66483413 -0.01353967
   0.90786599  0.58623869  0.35571660
   0.60252439  0.90889755  0.13775727
   0.85342738  0.87224692  0.26257578
   0.63880343  0.65134315  0.46763245
   0.87519359  0.66588057  0.89527454
   0.66754058  0.91522910  0.59147571
   0.88463077  0.89161881  0.74950660
   0.10866357  0.09652848  0.11059819
   0.34968197  0.20159240  0.29812141
   0.16859478  0.32554535 -0.00117679
   0.36413284  0.46588745  0.33520519
   0.51562079  0.35628376  0.18885642
   0.26590103  0.38796334  0.16611056
   0.20856441  0.13017922  0.44900057
  -0.02321025  0.22340260  0.38079300
   0.00271720  0.03529529  0.54194835
   0.37336993  0.26199006  0.84991420
   0.06691398  0.29509160  0.56746923
   0.34074209  0.52307214  0.81310763
   0.49728561  0.35401676  0.69771883
   0.22356864  0.34368569  0.70841832
   0.24407384  0.07634277 -0.06039121
  -0.02544791  0.19207446  0.95471722
   0.24165025  0.57669695  0.02842352
   0.36931246  0.71045522  0.24757368
   0.16559329  0.84361373  0.05062774
   0.39227963  0.93465757  0.37215885
   0.45974952  0.95350023  0.18628369
   0.20699349  0.92485415  0.23797291
   0.29060945  0.66844596  0.43962935
   0.06471154  0.54771161  0.40268468
   0.30538909  0.40057912  0.51810935
   0.38327694  0.75082642  0.71304658
   0.05290701  0.78119467  0.48661757
   0.33230877  0.99988176  0.77781082
   0.51085036  0.96644208  0.63444604
   0.23548767  0.89003675  0.59465932
   0.24251318  0.75262689 -0.11621397
   0.00766359  0.68739666  0.95935399
   0.68119308  0.04442642  0.08874926
   0.83685027  0.24597798  0.21635724
   0.58245101  0.27501413  0.01032161
   0.86326481  0.47045890  0.27864395
   0.03516047  0.49008351  0.13201750
   0.76487353  0.43380763  0.09667154
   0.70491969  0.23704479  0.38074101
   0.48983213  0.13773098  0.46881937
   0.70708135  0.06112778  0.52443891
   0.89169863  0.24572245  0.77184186
   0.64910068  0.34157042  0.55265909
   0.91364262  0.51630805  0.82849402
   1.11740838  0.56427720  0.59832188
   0.78804947  0.46849342  0.66015353
   0.75607388  0.09231211  0.89549870
   0.51199469  0.05400062  0.93383496
   0.53634447  0.54206153  0.04929876
   0.90830641  0.73137645  0.29957019
   0.59089218  0.80557580  0.04773473
   0.84967871  1.01041950  0.31902800
   0.95196426  0.88412106  0.16495558
   0.70203206  0.84991415  0.22832932
   0.78655478  0.57558363  0.43599729
   0.54762534  0.64616204  0.37433771
   0.56611874  0.58573131  0.56369530
   0.81643356  0.78079068  0.82757871
   0.66202711  0.81250713  0.48332806
   0.96504852  0.99354053  0.81847744
   1.01300425  0.82844828  0.67861820
   0.78096836  0.98252808  0.68807003
   0.75230151  0.62654717  0.97226986
   0.51776717  0.69776901  0.88889636
   0.68376690  0.80715671  0.66509336
   0.93345905  1.19173466  0.69580396
   1.03665245  0.28164402  0.18563866
   1.05942345  1.19747174  0.15271017
   0.34734911  0.11291418  0.60968630
   0.44199316  0.09654452  0.60409354
   0.42425815  1.30221834 -0.09397420
  -0.21728888  1.49270178  0.03577225
   0.68487813  0.39785110  0.82244399
   0.58004880  0.56393684  0.72969552
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836015    0.565045    0.180642
    -0.000000    9.787054    0.107590
    -0.000000    0.000000   13.776626
   Si   O    H 
    32    64    10
Direct configuration=  3750
   0.12737602  0.16807918 -0.00473410
   0.35905434  0.10151521  0.40236486
   0.17821107  0.44845322  0.08060143
   0.37281118  0.34987495  0.25130325
   0.05578654  0.17364421  0.48160834
   0.37197782  0.08944635  0.87201262
   0.18456762  0.40450674  0.59497888
   0.36065473  0.38403582  0.75591202
   0.16271583  0.71423975 -0.01343580
   0.38694057  0.62584268  0.35002212
   0.10400924  0.92178418  0.14527876
   0.35606410  0.87602742  0.26349153
   0.14451913  0.63622605  0.48101037
   0.37713008  0.68802470  0.82442822
   0.07425448  0.88576487  0.57302342
   0.35456215  0.91932627  0.67462569
   0.64654789  0.11686293  0.98735963
   0.84690611  0.17532169  0.32630417
   0.59849708  0.39559072  0.09220168
   0.90937961  0.38913443  0.18052091
   0.64040351  0.20687822  0.48795658
   0.89953867  0.13449967  0.85945699
   0.60261449  0.46795190  0.64157866
   0.81192790  0.43452071  0.77198255
   0.59869688  0.66396435 -0.01285638
   0.90831324  0.58551435  0.35613886
   0.60276946  0.90888370  0.13727398
   0.85341984  0.87211013  0.26251070
   0.63781335  0.65266987  0.46773010
   0.87472988  0.66678714  0.89648762
   0.66563322  0.91627557  0.59073974
   0.88465265  0.89232308  0.74938517
   0.10958289  0.09915375  0.11081526
   0.34822786  0.20222789  0.29658894
   0.16790535  0.32584556 -0.00053396
   0.36399348  0.46410789  0.33584173
   0.51711291  0.35694867  0.18936861
   0.26773086  0.38742828  0.16649775
   0.20980061  0.12868750  0.44823446
  -0.02242858  0.22204041  0.37969947
   0.00059197  0.03532735  0.54153587
   0.37239458  0.26034168  0.84947171
   0.06798539  0.29542079  0.56839438
   0.34294642  0.52388550  0.81384584
   0.49701215  0.35398147  0.69738643
   0.22351737  0.34316222  0.70715530
   0.24250349  0.07649784 -0.05976938
  -0.02705196  0.19460074  0.95417940
   0.24058917  0.57850481  0.02840685
   0.37131960  0.71051524  0.24689375
   0.16706807  0.84375026  0.05092708
   0.39123332  0.93419706  0.37168527
   0.45951006  0.95482497  0.18638744
   0.20748424  0.92500886  0.23785984
   0.29100435  0.66929966  0.44034457
   0.06484309  0.54763777  0.40220105
   0.30535908  0.40166017  0.51792703
   0.38432747  0.75024156  0.71323434
   0.05330220  0.78009562  0.48645416
   0.33236704  1.00203775  0.77799174
   0.51058652  0.96444752  0.63563837
   0.23605026  0.88988529  0.59509761
   0.24407268  0.75426469 -0.11681930
   0.00916268  0.68818999  0.95993740
   0.68225772  0.04358342  0.08840675
   0.83933560  0.24435771  0.21682716
   0.58034571  0.27535775  0.00985898
   0.86499810  0.47060930  0.27821271
   0.03469123  0.49162627  0.13111632
   0.76328421  0.43310043  0.09694502
   0.70530448  0.23825581  0.38100095
   0.48961073  0.13938821  0.46821872
   0.70889641  0.06123173  0.52427410
   0.89173176  0.24572098  0.77157747
   0.65039276  0.34064823  0.55362107
   0.91308488  0.51625018  0.82875180
   1.11875879  0.56405970  0.59725567
   0.78903261  0.46663584  0.66143034
   0.75609801  0.09307041  0.89477195
   0.51313902  0.05579828  0.93359328
   0.53570922  0.54247550  0.04930296
   0.90824613  0.72857995  0.29995912
   0.59131476  0.80361427  0.04878990
   0.84992695  1.01215217  0.31892389
   0.95178888  0.88441220  0.16513010
   0.70330484  0.84847243  0.22806271
   0.78918454  0.57518507  0.43639660
   0.54848059  0.64578851  0.37454902
   0.56568561  0.58638892  0.56311854
   0.81711601  0.78065878  0.82887585
   0.66377542  0.81302795  0.48377173
   0.96586504  0.99453560  0.81771659
   1.01330022  0.82997509  0.67811396
   0.78309736  0.98136599  0.68820012
   0.75243164  0.62954036  0.97227936
   0.51739672  0.69760169  0.88865874
   0.68762661  0.80145704  0.66377989
   0.92720692  1.18926432  0.69366796
   1.02560020  0.28381798  0.19239884
   1.05574392  1.19800919  0.14994083
   0.34542811  0.11685894  0.61043289
   0.44267841  0.10367038  0.60293771
   0.41899927  1.29932013 -0.09818331
  -0.22733815  1.50480882  0.03678532
   0.68500628  0.40153919  0.82221403
   0.57630020  0.56560834  0.72424166
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836511    0.566108    0.178455
    -0.000000    9.785773    0.104088
    -0.000000    0.000000   13.774633
   Si   O    H 
    32    64    10
Direct configuration=  3751
   0.12750244  0.16881463 -0.00446270
   0.36028476  0.10283765  0.40226643
   0.17755402  0.44881979  0.08140897
   0.37088112  0.35013347  0.25128232
   0.05564657  0.17450671  0.48202788
   0.37267722  0.08891044  0.87219799
   0.18537235  0.40446658  0.59400292
   0.36037243  0.38235177  0.75537175
   0.16243924  0.71530693 -0.01287078
   0.38660401  0.62593089  0.35107027
   0.10475474  0.92191388  0.14426600
   0.35635160  0.87536527  0.26291192
   0.14507536  0.63502421  0.48215219
   0.37662557  0.68821294  0.82433158
   0.07358446  0.88502629  0.57334279
   0.35507799  0.91941148  0.67433974
   0.64588526  0.11777735  0.98681805
   0.84706181  0.17563207  0.32619035
   0.59887501  0.39556146  0.09140288
   0.91034403  0.38808425  0.18103134
   0.64006835  0.20664509  0.48832890
   0.90132137  0.13481974  0.86034283
   0.60251831  0.46881404  0.64113212
   0.81040302  0.43535923  0.77194032
   0.59903143  0.66346037 -0.01194165
   0.90883471  0.58428136  0.35662575
   0.60345860  0.90908895  0.13710766
   0.85364479  0.87185754  0.26207425
   0.63675069  0.65389635  0.46771136
   0.87406601  0.66709725  0.89751189
   0.66397710  0.91805371  0.58962642
   0.88577274  0.89220532  0.74907072
   0.11087688  0.10115283  0.11041183
   0.34657838  0.20314675  0.29521734
   0.16756613  0.32710371  0.00068593
   0.36416841  0.46277182  0.33571374
   0.51881142  0.35797491  0.18974819
   0.26971281  0.38719830  0.16697563
   0.21053417  0.12661281  0.44757058
  -0.02058055  0.22074898  0.37935743
  -0.00103365  0.03523333  0.54083347
   0.37114228  0.25940813  0.84817051
   0.06909244  0.29578797  0.56943616
   0.34420206  0.52500142  0.81474674
   0.49644496  0.35391944  0.69695508
   0.22330230  0.34254085  0.70603318
   0.24013116  0.07699320 -0.05880519
  -0.02885220  0.19596476  0.95283740
   0.23948457  0.57981293  0.02773800
   0.37313643  0.71062974  0.24683551
   0.16804005  0.84422267  0.05123438
   0.39034308  0.93476895  0.37121887
   0.45866505  0.95504360  0.18679169
   0.20676205  0.92566678  0.23790282
   0.29304002  0.67080543  0.44107497
   0.06481526  0.54667051  0.40143181
   0.30621013  0.40195631  0.51797294
   0.38514295  0.75026382  0.71413089
   0.05304339  0.77978140  0.48633667
   0.33291130  1.00447028  0.77798257
   0.50988372  0.96357033  0.63666602
   0.23704666  0.89059509  0.59527729
   0.24544382  0.75593688 -0.11720302
   0.01009920  0.68885676  0.96114398
   0.68197936  0.04172413  0.08823006
   0.84115784  0.24279471  0.21696732
   0.57827554  0.27611758  0.01003375
   0.86595957  0.47136879  0.27716341
   0.03355461  0.49351983  0.13050334
   0.76192922  0.43265537  0.09737780
   0.70618330  0.23877023  0.38126177
   0.48906755  0.14072322  0.46659898
   0.71109613  0.06055023  0.52450395
   0.89204539  0.24550281  0.76980455
   0.65160216  0.33922834  0.55478989
   0.91219889  0.51746214  0.82939879
   1.12001406  0.56497686  0.59567090
   0.78987973  0.46470160  0.66245419
   0.75558855  0.09479319  0.89475893
   0.51438920  0.05789066  0.93392837
   0.53516725  0.54335263  0.04879933
   0.90870882  0.72641436  0.30051182
   0.59188213  0.80151208  0.04917649
   0.84998834  1.01352090  0.31922271
   0.95250302  0.88550666  0.16543830
   0.70351408  0.84782234  0.22765345
   0.79058361  0.57488840  0.43711469
   0.54874023  0.64558946  0.37410504
   0.56494276  0.58775903  0.56197459
   0.81729139  0.78098609  0.82949130
   0.66578153  0.81438152  0.48401293
   0.96690665  0.99523151  0.81761916
   1.01321761  0.83147279  0.67777774
   0.78489559  0.98110447  0.68805043
   0.75212182  0.63176824  0.97215590
   0.51724154  0.69801199  0.88776914
   0.68947182  0.79435749  0.65778656
   0.91891539  1.19262701  0.69805429
   1.02102434  0.27976798  0.19702812
   1.05537919  1.19588902  0.14740250
   0.35739396  0.11844087  0.61217282
   0.43012451  0.10809404  0.60268852
   0.42112594  1.30264622 -0.09605392
  -0.23318143  1.51067257  0.04292737
   0.68379155  0.40420653  0.82273445
   0.57489828  0.56294580  0.72123186
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.836849    0.566680    0.175670
    -0.000000    9.784813    0.100420
    -0.000000    0.000000   13.772678
   Si   O    H 
    32    64    10
Direct configuration=  3752
   0.12737086  0.16953214 -0.00430684
   0.36177801  0.10463040  0.40244874
   0.17738205  0.44929379  0.08224840
   0.36959784  0.34978753  0.25168090
   0.05577399  0.17565579  0.48322990
   0.37306491  0.08787045  0.87236642
   0.18649279  0.40465742  0.59298337
   0.35991559  0.38115884  0.75460680
   0.16179735  0.71703140 -0.01300413
   0.38658563  0.62611649  0.35269892
   0.10538355  0.92270800  0.14313444
   0.35742594  0.87484708  0.26252153
   0.14432092  0.63319689  0.48331225
   0.37612960  0.68867225  0.82443770
   0.07226372  0.88428832  0.57358923
   0.35595216  0.91900381  0.67382933
   0.64445968  0.11863989  0.98658456
   0.84624200  0.17582136  0.32625598
   0.59873471  0.39528552  0.09062393
   0.91119714  0.38709998  0.18165988
   0.63948386  0.20675655  0.48883270
   0.90291513  0.13455316  0.86130137
   0.60264903  0.46896820  0.64038144
   0.80943264  0.43569301  0.77209797
   0.59799553  0.66332751 -0.01089708
   0.90872834  0.58334138  0.35715796
   0.60472827  0.90897124  0.13703071
   0.85379099  0.87201899  0.26185175
   0.63655198  0.65492705  0.46728809
   0.87428066  0.66706779  0.89820024
   0.66235978  0.91964317  0.58847001
   0.88666841  0.89144970  0.74850905
   0.11149566  0.10377731  0.11062676
   0.34508564  0.20395601  0.29419642
   0.16733668  0.32860590  0.00118386
   0.36457618  0.46185445  0.33559055
   0.52070841  0.35850574  0.19030230
   0.27188372  0.38736975  0.16750921
   0.21044649  0.12473052  0.44694273
  -0.01837215  0.21997822  0.37943697
  -0.00147794  0.03533612  0.53981877
   0.36993729  0.25899143  0.84695652
   0.06940432  0.29541124  0.56994503
   0.34562247  0.52619424  0.81620522
   0.49613668  0.35447782  0.69611071
   0.22340060  0.34234943  0.70509332
   0.23746579  0.07761286 -0.05745761
  -0.03114083  0.19661343  0.95184087
   0.23827774  0.58107654  0.02735796
   0.37418605  0.71094185  0.24705022
   0.16872242  0.84595114  0.05187870
   0.38958640  0.93565369  0.36999145
   0.45743527  0.95519756  0.18772065
   0.20572217  0.92578638  0.23739751
   0.29486483  0.67212595  0.44149948
   0.06502225  0.54621910  0.40038677
   0.30716571  0.40221035  0.51839729
   0.38599830  0.75053043  0.71498082
   0.05253060  0.77948168  0.48674510
   0.33332545  1.00615298  0.77748245
   0.50882231  0.96307204  0.63799646
   0.23857350  0.89184300  0.59580277
   0.24591532  0.75850132 -0.11763306
   0.01023043  0.68929690  0.96235480
   0.68121380  0.03972094  0.08828863
   0.84229648  0.24128766  0.21735552
   0.57636102  0.27757551  0.01013081
   0.86675878  0.47183134  0.27602886
   0.03185619  0.49563151  0.13019177
   0.76158287  0.43315848  0.09809735
   0.70734059  0.23907763  0.38105859
   0.48851702  0.14260614  0.46477659
   0.71293016  0.05867217  0.52508625
   0.89254604  0.24501902  0.76747399
   0.65267940  0.33740155  0.55655896
   0.91125375  0.51928718  0.83044849
   1.12131671  0.56563451  0.59424502
   0.79101883  0.46272704  0.66354278
   0.75454350  0.09672710  0.89418931
   0.51479165  0.06025604  0.93354413
   0.53459522  0.54346549  0.04846300
   0.90931850  0.72466592  0.30105674
   0.59220239  0.80007484  0.04959971
   0.85018255  1.01381542  0.31935484
   0.95285509  0.88754350  0.16604101
   0.70292833  0.84748758  0.22681616
   0.79176893  0.57436061  0.43814839
   0.54935025  0.64450601  0.37345335
   0.56415670  0.58884237  0.56048816
   0.81716279  0.78239634  0.82983349
   0.66755040  0.81682738  0.48435273
   0.96786937  0.99601776  0.81778017
   1.01220718  0.83345145  0.67735424
   0.78645966  0.98115375  0.68735247
   0.75221305  0.63371971  0.97170355
   0.51749957  0.69903784  0.88647319
   0.69154269  0.78546177  0.64960948
   0.91176669  1.20200743  0.70882059
   1.02570063  0.26953700  0.20089857
   1.05514499  1.19504813  0.14656082
   0.34567579  0.12642037  0.61751440
   0.43704497  0.10729879  0.60198816
   0.42363100  1.30027387 -0.09620381
  -0.23548934  1.51319282  0.04996940
   0.68039088  0.40198948  0.82585926
   0.57469096  0.55737656  0.72260860
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837502    0.567695    0.172807
    -0.000000    9.783423    0.096632
    -0.000000    0.000000   13.771034
   Si   O    H 
    32    64    10
Direct configuration=  3753
   0.12689231  0.17026682 -0.00401314
   0.36324176  0.10624899  0.40216826
   0.17696845  0.44955675  0.08347034
   0.36848709  0.34910700  0.25223710
   0.05681171  0.17657736  0.48470986
   0.37303245  0.08686339  0.87261202
   0.18738941  0.40462649  0.59241100
   0.35944252  0.38028459  0.75428956
   0.16139498  0.71864853 -0.01314489
   0.38707545  0.62659352  0.35392936
   0.10555125  0.92323656  0.14220703
   0.35782905  0.87431929  0.26211440
   0.14425632  0.63149524  0.48440294
   0.37536348  0.68972604  0.82427168
   0.07153852  0.88352672  0.57371300
   0.35621140  0.91860066  0.67378773
   0.64265696  0.11925052  0.98622784
   0.84579444  0.17573819  0.32594119
   0.59814188  0.39452489  0.08996069
   0.91156608  0.38673002  0.18198268
   0.63851068  0.20763351  0.48957137
   0.90382241  0.13427481  0.86187676
   0.60266086  0.46922258  0.63975710
   0.80828733  0.43612828  0.77255583
   0.59599998  0.66399308 -0.01035156
   0.90916460  0.58221842  0.35737540
   0.60586106  0.90842215  0.13709425
   0.85466332  0.87262761  0.26128733
   0.63648809  0.65501221  0.46717283
   0.87503860  0.66685500  0.89868669
   0.66145443  0.92051503  0.58804002
   0.88779956  0.89097925  0.74805447
   0.11209292  0.10623768  0.11043642
   0.34382938  0.20363906  0.29295427
   0.16718597  0.33000895  0.00200717
   0.36503494  0.46153626  0.33576432
   0.52334377  0.35847639  0.19120293
   0.27359378  0.38837169  0.16773427
   0.21062542  0.12381446  0.44639089
  -0.01602769  0.21953962  0.37978736
  -0.00230441  0.03570023  0.53874468
   0.36850527  0.25836768  0.84579017
   0.06882032  0.29526290  0.56958364
   0.34699643  0.52635272  0.81734362
   0.49639726  0.35485503  0.69570313
   0.22295483  0.34194225  0.70430610
   0.23540930  0.07792175 -0.05651313
  -0.03252905  0.19794018  0.95101350
   0.23713018  0.58184138  0.02732818
   0.37566313  0.71074766  0.24781186
   0.16904787  0.84691517  0.05249554
   0.38943962  0.93720647  0.36880448
   0.45618786  0.95468327  0.18849788
   0.20460484  0.92586539  0.23755660
   0.29609584  0.67340555  0.44251475
   0.06528298  0.54467105  0.39966272
   0.30813201  0.40252188  0.51910149
   0.38732653  0.75116878  0.71545606
   0.05038793  0.77941950  0.48712309
   0.33384889  1.00842721  0.77659165
   0.50847370  0.96320691  0.63913874
   0.24033478  0.89297331  0.59672679
   0.24617297  0.76082463 -0.11796425
   0.00938925  0.68956235  0.96357506
   0.68057524  0.03848820  0.08807649
   0.84273067  0.23933216  0.21764692
   0.57577015  0.27855878  0.01004255
   0.86714133  0.47345038  0.27554504
   0.03031524  0.49686098  0.12997562
   0.76185280  0.43303382  0.09894861
   0.70863267  0.23880260  0.38054083
   0.48827086  0.14428874  0.46285382
   0.71506910  0.05766654  0.52577016
   0.89296144  0.24492814  0.76624915
   0.65270831  0.33542571  0.55848636
   0.91051285  0.52095107  0.83195640
   1.12243987  0.56648683  0.59266315
   0.79263152  0.46096713  0.66404204
   0.75324742  0.09848166  0.89440270
   0.51460493  0.06298275  0.93281671
   0.53402657  0.54307542  0.04764718
   0.91070816  0.72339471  0.30188756
   0.59235851  0.79877492  0.05072703
   0.84987057  1.01344685  0.31977068
   0.95347297  0.88981404  0.16628105
   0.70129293  0.84761206  0.22576346
   0.79145038  0.57389350  0.43939422
   0.54993469  0.64327857  0.37223019
   0.56361364  0.58889687  0.55893797
   0.81743823  0.78414110  0.83009602
   0.66912158  0.81851007  0.48425561
   0.96884909  0.99656721  0.81772187
   1.01065386  0.83523808  0.67693159
   0.78792895  0.98182917  0.68634414
   0.75146182  0.63511809  0.97141681
   0.51693266  0.69997814  0.88515091
   0.69466844  0.77939115  0.63985214
   0.90789267  1.20329171  0.71021233
   1.03411960  0.26151567  0.20398873
   1.05221645  1.19458288  0.14819249
   0.34877276  0.12736650  0.62296449
   0.42777689  0.10569040  0.60570433
   0.41960620  1.29395100 -0.10061475
  -0.23258227  1.51528591  0.05712418
   0.68134659  0.39864405  0.82885247
   0.57618757  0.55495598  0.72592528
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837908    0.569287    0.169838
    -0.000000    9.782137    0.093018
    -0.000000    0.000000   13.769608
   Si   O    H 
    32    64    10
Direct configuration=  3754
   0.12588309  0.17144135 -0.00371605
   0.36412561  0.10827060  0.40154818
   0.17636991  0.45026698  0.08422010
   0.36749144  0.34905817  0.25279500
   0.05757663  0.17726069  0.48579887
   0.37305501  0.08558632  0.87258855
   0.18784071  0.40445369  0.59174346
   0.35923275  0.37991166  0.75393226
   0.16072237  0.72045252 -0.01319658
   0.38775758  0.62643567  0.35498626
   0.10549025  0.92399739  0.14181943
   0.35848564  0.87366200  0.26190845
   0.14452271  0.63010763  0.48534888
   0.37374915  0.69044443  0.82405820
   0.07114960  0.88238419  0.57415020
   0.35659854  0.91852773  0.67361644
   0.64079867  0.12006129  0.98645929
   0.84552453  0.17564273  0.32622113
   0.59783751  0.39385271  0.08924489
   0.91240613  0.38634222  0.18231393
   0.63786007  0.20854125  0.49041580
   0.90414637  0.13401417  0.86256185
   0.60219209  0.46968559  0.63929661
   0.80682451  0.43595751  0.77320974
   0.59429120  0.66504019 -0.01033662
   0.90927038  0.58075124  0.35756295
   0.60640795  0.90794642  0.13696884
   0.85489149  0.87278804  0.26113465
   0.63691887  0.65492772  0.46708605
   0.87541387  0.66637318  0.89857568
   0.66121095  0.92134947  0.58766585
   0.88916773  0.89056202  0.74761958
   0.11144255  0.10841223  0.11015557
   0.34310709  0.20287011  0.29167765
   0.16677510  0.33030744  0.00216062
   0.36513128  0.46217707  0.33623367
   0.52474453  0.35844238  0.19195514
   0.27503053  0.38943627  0.16736895
   0.21099833  0.12203733  0.44577835
  -0.01429430  0.21910383  0.38014229
  -0.00231237  0.03556830  0.53809631
   0.36697773  0.25790106  0.84470608
   0.06872663  0.29453305  0.56817008
   0.34821355  0.52573929  0.81795336
   0.49652902  0.35455001  0.69468155
   0.22291419  0.34119562  0.70311939
   0.23374351  0.07722435 -0.05573256
  -0.03285996  0.19922609  0.95105117
   0.23633792  0.58212343  0.02741235
   0.37744290  0.71059718  0.24828913
   0.16893057  0.84833610  0.05249305
   0.38911212  0.93923878  0.36778410
   0.45471898  0.95330747  0.18818918
   0.20378965  0.92465206  0.23770490
   0.29707577  0.67477194  0.44351697
   0.06641087  0.54253372  0.39904630
   0.30947461  0.40249569  0.51974570
   0.38738002  0.75322716  0.71586917
   0.04866867  0.77912663  0.48742614
   0.33362054  1.01036825  0.77540508
   0.50776588  0.96356101  0.63970834
   0.24212138  0.89441312  0.59796611
   0.24607344  0.76230282 -0.11870008
   0.00864066  0.69001094  0.96422988
   0.68056397  0.03821296  0.08810581
   0.84302063  0.23730412  0.21794795
   0.57670773  0.27895833  0.00979246
   0.86740510  0.47558590  0.27569833
   0.02898544  0.49763848  0.12938922
   0.76243564  0.43289775  0.09954726
   0.71044105  0.23825938  0.38027210
   0.48788884  0.14611106  0.46117054
   0.71664002  0.05671011  0.52582659
   0.89341782  0.24550112  0.76609678
   0.65217232  0.33417699  0.56052721
   0.90973205  0.52218647  0.83381080
   1.12365666  0.56633171  0.59084202
   0.79387371  0.45898651  0.66386536
   0.75142033  0.10093774  0.89483944
   0.51419558  0.06502594  0.93216626
   0.53318962  0.54238772  0.04707333
   0.91182326  0.72282947  0.30228297
   0.59250339  0.79790309  0.05230031
   0.84959987  1.01306088  0.32000083
   0.95410614  0.89138533  0.16613766
   0.70033145  0.84837903  0.22526599
   0.79035479  0.57360947  0.44062673
   0.54960343  0.64274745  0.37074506
   0.56272475  0.58861313  0.55777489
   0.81837964  0.78587846  0.83007323
   0.67145557  0.81958358  0.48400672
   0.97013095  0.99695638  0.81790815
   1.00936895  0.83623020  0.67633448
   0.78876248  0.98298605  0.68541043
   0.75176160  0.63589615  0.97133168
   0.51660540  0.70074323  0.88371995
   0.69691070  0.77840635  0.62891615
   0.91074636  1.19293042  0.69049426
   1.04076751  0.25987284  0.20488209
   1.04689062  1.19296846  0.15309753
   0.35419071  0.12633271  0.62914278
   0.42036308  0.10177866  0.60986708
   0.41956904  1.29266521 -0.10234117
  -0.22929107  1.52120201  0.06282088
   0.68405654  0.39575268  0.83201322
   0.58104786  0.55449213  0.73102080
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838605    0.570018    0.166799
    -0.000000    9.781741    0.089955
    -0.000000    0.000000   13.767933
   Si   O    H 
    32    64    10
Direct configuration=  3755
   0.12469528  0.17334218 -0.00310317
   0.36450956  0.11021024  0.40090323
   0.17629012  0.45128874  0.08525181
   0.36683380  0.34907451  0.25319164
   0.05874304  0.17767219  0.48671575
   0.37268232  0.08407441  0.87247098
   0.18846417  0.40481654  0.59140221
   0.35836812  0.37948533  0.75405821
   0.16065711  0.72224829 -0.01362424
   0.38893217  0.62595788  0.35575608
   0.10554905  0.92503771  0.14149682
   0.35907732  0.87312801  0.26200385
   0.14443328  0.62848904  0.48589497
   0.37219063  0.69094574  0.82377824
   0.07064764  0.88168530  0.57431275
   0.35731454  0.91746819  0.67321573
   0.63972532  0.12067573  0.98612150
   0.84543344  0.17557745  0.32685105
   0.59722982  0.39326626  0.08888823
   0.91327456  0.38673656  0.18254556
   0.63709880  0.20891578  0.49129005
   0.90475794  0.13376801  0.86276051
   0.60181318  0.47016935  0.63926175
   0.80577799  0.43547363  0.77390041
   0.59200293  0.66645076 -0.01094711
   0.90933834  0.57946191  0.35763034
   0.60663284  0.90729743  0.13667861
   0.85518252  0.87316696  0.26121909
   0.63852813  0.65510379  0.46708959
   0.87599074  0.66594933  0.89822199
   0.66124455  0.92193028  0.58707701
   0.89015250  0.89012820  0.74709765
   0.11068972  0.11058206  0.10982826
   0.34197560  0.20123625  0.29120927
   0.16587526  0.33029874  0.00291713
   0.36565505  0.46307443  0.33723091
   0.52547733  0.35917728  0.19256643
   0.27562359  0.39013878  0.16623951
   0.21111858  0.12137143  0.44473462
  -0.01313711  0.21857187  0.38041157
  -0.00112207  0.03555065  0.53751990
   0.36604198  0.25709029  0.84436649
   0.06772401  0.29339755  0.56701109
   0.34926560  0.52478297  0.81793990
   0.49641499  0.35401299  0.69327993
   0.22191680  0.34045823  0.70265022
   0.23319575  0.07576919 -0.05546590
  -0.03224753  0.19999848  0.95198317
   0.23539872  0.58213071  0.02755965
   0.37869296  0.71026867  0.24871169
   0.16946238  0.85032947  0.05233068
   0.38857637  0.94083169  0.36672666
   0.45405223  0.95199972  0.18781751
   0.20212938  0.92391748  0.23781919
   0.29761126  0.67625691  0.44462048
   0.06728210  0.54058872  0.39878540
   0.31136752  0.40283929  0.52015036
   0.38730577  0.75566999  0.71655400
   0.04654176  0.77905381  0.48801318
   0.33425491  1.01163858  0.77444725
   0.50655370  0.96434067  0.63993145
   0.24302118  0.89549656  0.59876148
   0.24574561  0.76298241 -0.11872680
   0.00710503  0.68990454  0.96533286
   0.68111271  0.03846695  0.08775531
   0.84345839  0.23590957  0.21789868
   0.57789311  0.27896095  0.00951301
   0.86812709  0.47725877  0.27572174
   0.02737474  0.49817023  0.12936146
   0.76241001  0.43230499  0.09979223
   0.71186710  0.23874383  0.37999666
   0.48814469  0.14764505  0.45922492
   0.71684865  0.05591027  0.52574007
   0.89435772  0.24525246  0.76579305
   0.65150158  0.33308499  0.56224537
   0.90865508  0.52354717  0.83560618
   1.12450186  0.56651461  0.58967498
   0.79442164  0.45742598  0.66350463
   0.74999622  0.10254894  0.89554569
   0.51315363  0.06638641  0.93115594
   0.53184226  0.54118615  0.04683246
   0.91254105  0.72266695  0.30247119
   0.59315087  0.79794888  0.05363200
   0.84953538  1.01184330  0.32043200
   0.95527167  0.89165967  0.16573269
   0.69943400  0.84978611  0.22560720
   0.78954545  0.57294522  0.44244848
   0.54897287  0.64288295  0.36914996
   0.56236395  0.58726969  0.55671879
   0.81957046  0.78735793  0.83012679
   0.67393435  0.82079508  0.48343094
   0.97224661  0.99720402  0.81820415
   1.00976855  0.83686958  0.67585929
   0.78806222  0.98399013  0.68475940
   0.75267948  0.63598596  0.97186010
   0.51617186  0.70132405  0.88238173
   0.69987730  0.78194899  0.62266846
   0.91153190  1.18947037  0.68274360
   1.04809301  0.26342335  0.20638988
   1.04339604  1.19107287  0.16011231
   0.35333608  0.13200159  0.63567280
   0.41557501  0.09989109  0.61491280
   0.41853291  1.29231571 -0.10166360
  -0.22355304  1.52668705  0.06670676
   0.69074554  0.39311046  0.83644607
   0.58782956  0.55661395  0.73506105
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839160    0.570605    0.163619
    -0.000000    9.780861    0.087070
    -0.000000    0.000000   13.766366
   Si   O    H 
    32    64    10
Direct configuration=  3756
   0.12271464  0.17549821 -0.00266185
   0.36435425  0.11169381  0.39985845
   0.17617142  0.45262551  0.08672132
   0.36677550  0.34920433  0.25345820
   0.06031005  0.17813569  0.48764601
   0.37183100  0.08228134  0.87228540
   0.18901685  0.40482497  0.59073894
   0.35779836  0.37909572  0.75455354
   0.16017108  0.72405742 -0.01415777
   0.39006071  0.62593520  0.35616704
   0.10610849  0.92598456  0.14173090
   0.35984665  0.87257314  0.26226918
   0.14445448  0.62711722  0.48632972
   0.37040626  0.69137875  0.82365885
   0.07101939  0.88182354  0.57455356
   0.35842906  0.91653486  0.67308242
   0.63870999  0.12150221  0.98576148
   0.84533297  0.17614134  0.32738108
   0.59707226  0.39296275  0.08900178
   0.91367571  0.38677220  0.18297758
   0.63670212  0.20864990  0.49197712
   0.90501963  0.13389727  0.86263199
   0.60175716  0.47029010  0.63919145
   0.80522426  0.43488121  0.77497712
   0.58997951  0.66815488 -0.01163512
   0.90867434  0.57802300  0.35774178
   0.60576293  0.90725386  0.13667422
   0.85534044  0.87356965  0.26119154
   0.64099630  0.65530402  0.46702559
   0.87763018  0.66560926  0.89796599
   0.66098413  0.92209987  0.58663057
   0.89127634  0.88997617  0.74652340
   0.10944471  0.11265653  0.10972323
   0.34090004  0.19976295  0.29159426
   0.16471986  0.33045953  0.00356734
   0.36605287  0.46382699  0.33794866
   0.52623338  0.35990912  0.19311290
   0.27612012  0.39107512  0.16460945
   0.21097550  0.12092440  0.44377214
  -0.01246489  0.21841763  0.38077330
  -0.00084274  0.03524106  0.53654654
   0.36458407  0.25594410  0.84408292
   0.06589841  0.29214995  0.56608594
   0.35054777  0.52304393  0.81819970
   0.49701221  0.35266942  0.69193808
   0.22078542  0.34005575  0.70250438
   0.23302418  0.07345973 -0.05505265
  -0.03186833  0.19985123  0.95305889
   0.23391853  0.58234578  0.02798251
   0.37947482  0.71055012  0.24943920
   0.17007043  0.85294456  0.05169812
   0.38782224  0.94229227  0.36606037
   0.45391570  0.94990703  0.18742668
   0.20006849  0.92262237  0.23794324
   0.29733730  0.67779472  0.44606964
   0.06791390  0.53862262  0.39845589
   0.31284436  0.40275072  0.52070060
   0.38745396  0.75880054  0.71657456
   0.04493550  0.77883548  0.48877291
   0.33492217  1.01227251  0.77306720
   0.50648223  0.96575296  0.64072255
   0.24324199  0.89640145  0.59945216
   0.24531551  0.76447324 -0.11804554
   0.00569874  0.69034503  0.96667737
   0.68120571  0.03920379  0.08690260
   0.84370656  0.23574055  0.21694397
   0.57957061  0.27862894  0.00926347
   0.86870403  0.47864512  0.27537822
   0.02524061  0.49869822  0.13003537
   0.76264232  0.43201491  0.10074714
   0.71341935  0.23836664  0.37990815
   0.48913250  0.15062381  0.45818804
   0.71672456  0.05593819  0.52517091
   0.89574336  0.24442920  0.76575621
   0.65034265  0.33152488  0.56375995
   0.90690691  0.52401040  0.83680020
   1.12571116  0.56733630  0.58963535
   0.79429798  0.45525372  0.66293852
   0.74796280  0.10455962  0.89603869
   0.51186554  0.06709043  0.92995850
   0.53040014  0.53913130  0.04649865
   0.91376786  0.72333633  0.30302322
   0.59326082  0.79767735  0.05489377
   0.84954229  1.01092632  0.32095291
   0.95645900  0.89188070  0.16576859
   0.69869079  0.85095325  0.22576763
   0.78902795  0.57242698  0.44418856
   0.54856127  0.64274263  0.36820463
   0.56173431  0.58554421  0.55607225
   0.82107262  0.78932208  0.82951304
   0.67503163  0.82249437  0.48269006
   0.97451755  0.99720709  0.81894703
   1.01011053  0.83748654  0.67590730
   0.78645162  0.98479386  0.68397307
   0.75364902  0.63596903  0.97216421
   0.51565854  0.70119069  0.88138610
   0.70477839  0.78401551  0.62178945
   0.91074805  1.19274996  0.68640553
   1.05301834  0.27232097  0.20812698
   1.04584090  1.19080284  0.16742486
   0.33299271  0.14430665  0.64630876
   0.42004470  0.09342740  0.61216168
   0.41504414  1.29633457 -0.10023117
  -0.21776654  1.52911299  0.06955414
   0.69410592  0.39439750  0.84113088
   0.59582604  0.55673017  0.73541124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839685    0.571256    0.160399
    -0.000000    9.779426    0.084656
    -0.000000    0.000000   13.764593
   Si   O    H 
    32    64    10
Direct configuration=  3757
   0.12096507  0.17677502 -0.00212033
   0.36369456  0.11308913  0.39875559
   0.17571133  0.45385014  0.08820300
   0.36793065  0.34869682  0.25330551
   0.06140875  0.17835961  0.48775986
   0.37108446  0.08089736  0.87222404
   0.18910046  0.40477488  0.59021065
   0.35735844  0.37880113  0.75451824
   0.15982495  0.72530928 -0.01525376
   0.39120322  0.62534844  0.35610839
   0.10609630  0.92738244  0.14180678
   0.35981140  0.87228896  0.26273032
   0.14470426  0.62617684  0.48640111
   0.36916901  0.69187999  0.82311971
   0.07183784  0.88254868  0.57488573
   0.35934063  0.91588696  0.67335679
   0.63791377  0.12187539  0.98534482
   0.84489294  0.17627155  0.32826779
   0.59713255  0.39295408  0.08910280
   0.91408766  0.38727684  0.18366292
   0.63683642  0.20825306  0.49238173
   0.90474368  0.13419975  0.86222816
   0.60174909  0.46990618  0.63881525
   0.80488592  0.43348318  0.77582246
   0.58742367  0.66995031 -0.01266849
   0.90818548  0.57719209  0.35790103
   0.60488570  0.90670755  0.13704058
   0.85571557  0.87326511  0.26124635
   0.64355133  0.65610472  0.46680546
   0.87943884  0.66578160  0.89775690
   0.66094904  0.92203550  0.58638985
   0.89251165  0.89082271  0.74623832
   0.10792729  0.11321794  0.10940849
   0.34040606  0.19853792  0.29188115
   0.16328210  0.33121746  0.00419419
   0.36606512  0.46508394  0.33863066
   0.52682725  0.36045923  0.19367038
   0.27669803  0.39157054  0.16270305
   0.21044238  0.11991795  0.44306464
  -0.01193142  0.21753670  0.38096948
  -0.00028877  0.03477786  0.53651684
   0.36366775  0.25534484  0.84453273
   0.06435677  0.29137406  0.56465697
   0.35180735  0.52190775  0.81803098
   0.49787011  0.35093456  0.69111949
   0.21907899  0.33956869  0.70200117
   0.23326320  0.07213083 -0.05432031
  -0.03156226  0.20032821  0.95431056
   0.23249039  0.58253509  0.02848150
   0.37912528  0.71058744  0.25056526
   0.17083051  0.85438284  0.05096634
   0.38592499  0.94294756  0.36581287
   0.45423897  0.94803485  0.18697510
   0.19860664  0.92060024  0.23766104
   0.29758567  0.67959392  0.44763333
   0.06755193  0.53671159  0.39835388
   0.31431316  0.40189421  0.52082799
   0.38776570  0.76277886  0.71648448
   0.04439194  0.77848885  0.48879610
   0.33540934  1.01281382  0.77137421
   0.50565908  0.96745531  0.64101790
   0.24185118  0.89728343  0.59955307
   0.24437825  0.76599924 -0.11761025
   0.00326377  0.69084834  0.96746427
   0.68114414  0.04024951  0.08624472
   0.84348642  0.23675467  0.21628353
   0.58114283  0.27843464  0.00847210
   0.86934780  0.47963493  0.27455106
   0.02339131  0.49911994  0.13082831
   0.76411374  0.43084641  0.10170414
   0.71414933  0.23838969  0.38035889
   0.49117257  0.15364197  0.45725396
   0.71623980  0.05702624  0.52451596
   0.89704251  0.24445268  0.76552891
   0.64891272  0.33078806  0.56497507
   0.90521006  0.52450417  0.83781920
   1.12662026  0.56738363  0.58995262
   0.79407404  0.45361438  0.66244353
   0.74699161  0.10638884  0.89616362
   0.50965685  0.06716701  0.92825486
   0.52855762  0.53821450  0.04585316
   0.91409488  0.72403607  0.30367907
   0.59303635  0.79753266  0.05545166
   0.85048781  1.00968265  0.32179789
   0.95612096  0.89201107  0.16555191
   0.69820262  0.85113827  0.22540588
   0.78950965  0.57152555  0.44585809
   0.54822678  0.64204930  0.36797594
   0.56121034  0.58368536  0.55524108
   0.82240516  0.79156132  0.82880627
   0.67461864  0.82482038  0.48216972
   0.97704787  0.99696106  0.81978975
   1.01004697  0.83740425  0.67557440
   0.78494665  0.98521564  0.68267981
   0.75342516  0.63636488  0.97264160
   0.51599646  0.70049652  0.88070527
   0.71041634  0.78077820  0.62726358
   0.90838789  1.20344072  0.69901770
   1.05574977  0.28377664  0.20721208
   1.05614240  1.19569983  0.17414718
   0.33073018  0.14372476  0.64984992
   0.41179991  0.09822907  0.61472506
   0.40943476  1.30069484 -0.10060427
  -0.21609337  1.52622017  0.07121918
   0.69673986  0.39413999  0.84659709
   0.59991868  0.55519597  0.73460079
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839983    0.572088    0.157614
    -0.000000    9.778080    0.081619
    -0.000000    0.000000   13.762569
   Si   O    H 
    32    64    10
Direct configuration=  3758
   0.11983139  0.17730840 -0.00136885
   0.36287077  0.11397427  0.39753666
   0.17475474  0.45548717  0.08912694
   0.36922924  0.34859489  0.25342977
   0.06249492  0.17802944  0.48751543
   0.36973463  0.07910776  0.87214556
   0.18865739  0.40434958  0.59003087
   0.35746279  0.37867359  0.75404633
   0.16012706  0.72588758 -0.01678670
   0.39200870  0.62450118  0.35593338
   0.10568484  0.92926878  0.14172901
   0.36007957  0.87234951  0.26325363
   0.14483831  0.62488569  0.48591369
   0.36831039  0.69188049  0.82237236
   0.07270724  0.88383162  0.57468065
   0.36000788  0.91468511  0.67373987
   0.63759355  0.12152456  0.98519351
   0.84429126  0.17640948  0.32876097
   0.59668105  0.39308119  0.08931201
   0.91419409  0.38789090  0.18443912
   0.63731169  0.20708797  0.49256275
   0.90421809  0.13420270  0.86155194
   0.60189920  0.46921181  0.63876075
   0.80464638  0.43126743  0.77629172
   0.58473667  0.67104592 -0.01340910
   0.90793972  0.57707735  0.35833706
   0.60350787  0.90726651  0.13746920
   0.85608449  0.87272523  0.26085927
   0.64612234  0.65687367  0.46624425
   0.88078722  0.66628935  0.89768947
   0.66148391  0.92129485  0.58630294
   0.89301360  0.89171943  0.74618441
   0.10537350  0.11215204  0.10990857
   0.33961151  0.19789976  0.29216117
   0.16235254  0.33219027  0.00435931
   0.36563463  0.46596773  0.33911575
   0.52625670  0.36150016  0.19389623
   0.27746750  0.39116938  0.16070534
   0.21043142  0.11944018  0.44248229
  -0.01186693  0.21696467  0.38180074
   0.00012610  0.03502793  0.53625654
   0.36391424  0.25430971  0.84490090
   0.06311377  0.29071113  0.56335559
   0.35387457  0.52105291  0.81763277
   0.49822330  0.34940266  0.69090581
   0.21787821  0.33987505  0.70123715
   0.23441877  0.07125521 -0.05420242
  -0.03152589  0.20145484  0.95506433
   0.23110176  0.58260082  0.02923962
   0.37933622  0.71039710  0.25196039
   0.17350166  0.85546546  0.05011988
   0.38471578  0.94434951  0.36541414
   0.45458545  0.94617581  0.18600190
   0.19641770  0.91858294  0.23754243
   0.29752593  0.68134487  0.44907299
   0.06652452  0.53540060  0.39824086
   0.31579774  0.40134469  0.52075229
   0.38850641  0.76643812  0.71652540
   0.04434413  0.77758498  0.48917175
   0.33536802  1.01368831  0.76986266
   0.50569632  0.96838551  0.64046221
   0.24052109  0.89726691  0.59985556
   0.24310600  0.76672524 -0.11704878
   0.00065645  0.69153592  0.96869847
   0.68065205  0.04092257  0.08527860
   0.84345273  0.23765859  0.21589591
   0.58185727  0.27855661  0.00821720
   0.86943007  0.48003094  0.27397525
   0.02190527  0.49984957  0.13142499
   0.76523231  0.43004191  0.10298275
   0.71454861  0.23878278  0.38111036
   0.49287034  0.15695303  0.45651171
   0.71540555  0.05835159  0.52377218
   0.89682851  0.24475936  0.76566218
   0.64755198  0.32942730  0.56656428
   0.90370039  0.52534406  0.83834007
   1.12746616  0.56685228  0.59064451
   0.79406871  0.45160175  0.66184569
   0.74609189  0.10754399  0.89658260
   0.50722901  0.06601388  0.92694491
   0.52747532  0.53748590  0.04462117
   0.91422961  0.72506983  0.30426000
   0.59231317  0.79671295  0.05566550
   0.85087703  1.00879920  0.32258485
   0.95501977  0.89214409  0.16520631
   0.69740781  0.85130886  0.22467932
   0.79001741  0.57056182  0.44707091
   0.54785396  0.64199641  0.36766448
   0.56121454  0.58200915  0.55477043
   0.82405287  0.79379348  0.82787058
   0.67420109  0.82655522  0.48164149
   0.98002637  0.99669126  0.81999066
   1.01055007  0.83698546  0.67515707
   0.78367590  0.98518523  0.68247703
   0.75345418  0.63635520  0.97330681
   0.51639566  0.69967460  0.88045355
   0.71267531  0.78003804  0.63241542
   0.90419812  1.21459017  0.71297050
   1.05912418  0.29294955  0.20528831
   1.06701233  1.20406248  0.17734611
   0.34188544  0.13379035  0.64743153
   0.38305475  0.11160288  0.62180404
   0.40283711  1.30182402 -0.10146305
  -0.21487287  1.51945444  0.07254437
   0.69873093  0.39205209  0.84999312
   0.59714007  0.55617021  0.73267659
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840161    0.572718    0.154193
    -0.000000    9.777091    0.078502
    -0.000000    0.000000   13.760444
   Si   O    H 
    32    64    10
Direct configuration=  3759
   0.11891567  0.17766527 -0.00070213
   0.36206873  0.11437349  0.39676108
   0.17310857  0.45705184  0.08949685
   0.37084386  0.34872330  0.25357484
   0.06363398  0.17702566  0.48669019
   0.36813545  0.07746982  0.87187430
   0.18771229  0.40370846  0.58961001
   0.35800453  0.37841296  0.75387685
   0.16035930  0.72642854 -0.01847407
   0.39271224  0.62391497  0.35605137
   0.10545578  0.93128855  0.14174850
   0.35962747  0.87216506  0.26370940
   0.14442302  0.62463892  0.48471023
   0.36745118  0.69219917  0.82188857
   0.07371410  0.88590715  0.57443094
   0.36059041  0.91370341  0.67408816
   0.63646559  0.12064118  0.98546397
   0.84466183  0.17648081  0.32942274
   0.59611772  0.39391292  0.08968164
   0.91422755  0.38883841  0.18554906
   0.63814351  0.20563302  0.49277677
   0.90355724  0.13398771  0.86089614
   0.60225796  0.46882896  0.63873670
   0.80441544  0.42897861  0.77635994
   0.58183264  0.67207584 -0.01390256
   0.90784294  0.57768550  0.35898974
   0.60197456  0.90727911  0.13827972
   0.85576080  0.87204053  0.26075234
   0.64830598  0.65729272  0.46566293
   0.88187980  0.66649142  0.89756500
   0.66244082  0.92073476  0.58661403
   0.89307048  0.89268428  0.74588877
   0.10285346  0.11081829  0.11010974
   0.33893535  0.19843164  0.29237636
   0.16213154  0.33346964  0.00448985
   0.36410028  0.46693962  0.33908025
   0.52569996  0.36189566  0.19475436
   0.27831467  0.39055805  0.15924284
   0.21074125  0.11885043  0.44216189
  -0.01287586  0.21643822  0.38263743
   0.00178843  0.03467198  0.53609229
   0.36397370  0.25364989  0.84518015
   0.06261367  0.29054098  0.56228699
   0.35579446  0.51964810  0.81758495
   0.49825580  0.34769351  0.69124416
   0.21694599  0.33986436  0.70062258
   0.23462646  0.07081576 -0.05429291
  -0.03191933  0.20190695  0.95597309
   0.22940998  0.58352938  0.03009374
   0.37990991  0.71003714  0.25361024
   0.17655612  0.85670040  0.04942350
   0.38396843  0.94507542  0.36546372
   0.45582165  0.94486486  0.18411565
   0.19410341  0.91690038  0.23745840
   0.29735543  0.68294296  0.45034682
   0.06580690  0.53428916  0.39793092
   0.31727903  0.40124700  0.52060409
   0.38873922  0.76900408  0.71695218
   0.04507771  0.77639937  0.48950584
   0.33537985  1.01420022  0.76824493
   0.50627307  0.96928866  0.63919416
   0.23833616  0.89817901  0.60030182
   0.24110405  0.76810387 -0.11562195
  -0.00131313  0.69198533  0.97019797
   0.67994524  0.04094984  0.08424595
   0.84372198  0.23854564  0.21510207
   0.58209961  0.27835584  0.00810024
   0.86921478  0.48047086  0.27380281
   0.02092078  0.50038778  0.13153983
   0.76583125  0.42901188  0.10398241
   0.71502782  0.24015593  0.38215745
   0.49409002  0.16076014  0.45578555
   0.71458583  0.05986932  0.52358353
   0.89626842  0.24633487  0.76849756
   0.64693680  0.32760847  0.56770446
   0.90291704  0.52591287  0.83878012
   1.12809501  0.56510537  0.59204792
   0.79337893  0.45018069  0.66089169
   0.74546486  0.10880127  0.89683047
   0.50541679  0.06479880  0.92605898
   0.52631537  0.53720823  0.04345446
   0.91514466  0.72603579  0.30488107
   0.59089128  0.79686738  0.05563834
   0.85166874  1.00757318  0.32331329
   0.95340181  0.89274085  0.16447966
   0.69767475  0.85302768  0.22398691
   0.79080815  0.56984452  0.44811713
   0.54823439  0.64240127  0.36779112
   0.56246477  0.58055001  0.55400345
   0.82513663  0.79595963  0.82767853
   0.67349216  0.82793852  0.48124748
   0.98249011  0.99648911  0.82006868
   1.01139921  0.83603864  0.67584242
   0.78228100  0.98535945  0.68278641
   0.75252533  0.63696372  0.97332021
   0.51587793  0.69833608  0.88019580
   0.71357285  0.78130866  0.63742172
   0.90880850  1.20087604  0.67695482
   1.06401393  0.29722618  0.20241993
   1.07463828  1.21500864  0.17861275
   0.31664352  0.14423548  0.66480188
   0.38290041  0.10969402  0.60628247
   0.39785848  1.30554143 -0.09918360
  -0.21232756  1.51158796  0.07285153
   0.70330718  0.38857892  0.85332461
   0.59046418  0.55747306  0.72806670
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839576    0.573382    0.150746
    -0.000000    9.776287    0.075419
    -0.000000    0.000000   13.758894
   Si   O    H 
    32    64    10
Direct configuration=  3760
   0.11842001  0.17758307 -0.00016230
   0.36083211  0.11430663  0.39578901
   0.17147159  0.45816374  0.08959723
   0.37244471  0.34856359  0.25362005
   0.06499455  0.17506908  0.48556382
   0.36590652  0.07648588  0.87197581
   0.18714421  0.40334282  0.58921638
   0.35870789  0.37823730  0.75440398
   0.16092321  0.72619978 -0.01989336
   0.39294885  0.62347159  0.35629314
   0.10529523  0.93342935  0.14210711
   0.35893651  0.87198482  0.26391899
   0.14345043  0.62477546  0.48355281
   0.36702868  0.69235591  0.82157433
   0.07424896  0.88796085  0.57427848
   0.36091430  0.91341187  0.67414733
   0.63581602  0.11987308  0.98542887
   0.84567037  0.17698594  0.33008858
   0.59531771  0.39533836  0.08995352
   0.91352148  0.38935964  0.18714087
   0.63902726  0.20384524  0.49285535
   0.90186560  0.13408964  0.86006653
   0.60312487  0.46792348  0.63861298
   0.80449418  0.42683330  0.77607202
   0.57938186  0.67205997 -0.01428176
   0.90749047  0.57837499  0.35913940
   0.60079744  0.90683802  0.13887423
   0.85582861  0.87100101  0.26030030
   0.65041894  0.65735366  0.46476456
   0.88240758  0.66743422  0.89786861
   0.66400213  0.92023578  0.58686659
   0.89297503  0.89378140  0.74572360
   0.10053980  0.10884794  0.11091717
   0.33884952  0.19942566  0.29283087
   0.16204401  0.33498942  0.00488483
   0.36240250  0.46775102  0.33843083
   0.52539942  0.36219887  0.19593398
   0.27997145  0.39039276  0.15822721
   0.21088760  0.11943283  0.44230430
  -0.01429523  0.21625642  0.38311711
   0.00256472  0.03438708  0.53574417
   0.36485347  0.25249353  0.84565744
   0.06218239  0.29028567  0.56187455
   0.35809171  0.51894734  0.81730297
   0.49786191  0.34587098  0.69157278
   0.21650290  0.33936861  0.70008305
   0.23439952  0.07159122 -0.05388045
  -0.03169675  0.20231327  0.95662759
   0.22820283  0.58442480  0.03066655
   0.38033105  0.70936757  0.25487434
   0.17907454  0.85760149  0.04907198
   0.38307860  0.94550639  0.36606421
   0.45683888  0.94410258  0.18216854
   0.19268564  0.91488926  0.23762806
   0.29667189  0.68489720  0.45132634
   0.06476006  0.53349537  0.39853104
   0.31846876  0.40142243  0.52043239
   0.38912704  0.77006460  0.71756486
   0.04590732  0.77485632  0.49012537
   0.33569614  1.01476360  0.76709775
   0.50725601  0.96959493  0.63751532
   0.23594127  0.89899096  0.60058568
   0.23934088  0.76896659 -0.11421279
  -0.00287955  0.69291900  0.97185654
   0.67879811  0.04037481  0.08353311
   0.84399580  0.23853748  0.21402670
   0.58271450  0.27916888  0.00844682
   0.86878655  0.48078072  0.27328527
   0.01966699  0.50038084  0.13118964
   0.76601586  0.42721586  0.10529655
   0.71502540  0.24165419  0.38355344
   0.49363673  0.16397904  0.45520136
   0.71353306  0.06036681  0.52354063
   0.89565434  0.24758661  0.77013225
   0.64592374  0.32626919  0.56865639
   0.90183152  0.52564579  0.83861563
   1.12924299  0.56336586  0.59326080
   0.79175737  0.44875345  0.66066051
   0.74447911  0.10978013  0.89687995
   0.50393638  0.06406042  0.92584931
   0.52461383  0.53686203  0.04188404
   0.91573509  0.72684270  0.30517147
   0.58887359  0.79674611  0.05520294
   0.85289777  1.00706378  0.32424861
   0.95209548  0.89347905  0.16387513
   0.69805081  0.85499812  0.22337499
   0.79143117  0.56973896  0.44912453
   0.54954790  0.64326617  0.36775203
   0.56304910  0.57940123  0.55284621
   0.82646816  0.79864085  0.82726783
   0.67312082  0.82847433  0.48058143
   0.98427924  0.99620912  0.82017766
   1.01203766  0.83468827  0.67634987
   0.78085356  0.98475111  0.68360414
   0.75156885  0.63735482  0.97323977
   0.51504309  0.69680029  0.88038363
   0.71490985  0.78078517  0.64331752
   0.91125012  1.19216472  0.65316620
   1.06876078  0.30373254  0.20063489
   1.08011817  1.22161345  0.17483686
   0.30418241  0.14990635  0.67044334
   0.37601650  0.11402438  0.60311674
   0.39565623  1.30514953 -0.09811553
  -0.20622197  1.51585600  0.06859506
   0.70376862  0.38365125  0.85600257
   0.58375098  0.56080093  0.72105735
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838904    0.573920    0.147549
    -0.000000    9.775860    0.072347
    -0.000000    0.000000   13.757453
   Si   O    H 
    32    64    10
Direct configuration=  3761
   0.11819765  0.17750324  0.00032771
   0.35929010  0.11360307  0.39476769
   0.16996022  0.45880459  0.08952653
   0.37425919  0.34905427  0.25346347
   0.06617475  0.17297606  0.48483037
   0.36361567  0.07622951  0.87203577
   0.18660643  0.40194594  0.58910302
   0.35915853  0.37868987  0.75430547
   0.16123073  0.72573878 -0.02087707
   0.39362504  0.62293615  0.35652943
   0.10504974  0.93445065  0.14235754
   0.35871678  0.87208926  0.26392971
   0.14273568  0.62469594  0.48235584
   0.36628104  0.69227312  0.82094393
   0.07526765  0.88933992  0.57412635
   0.36103956  0.91423667  0.67426602
   0.63488533  0.11915231  0.98532257
   0.84644235  0.17756167  0.33050163
   0.59400354  0.39677814  0.09079100
   0.91247962  0.38986575  0.18834566
   0.64035643  0.20186175  0.49262764
   0.90033588  0.13365854  0.85933440
   0.60409234  0.46677832  0.63899058
   0.80471269  0.42415908  0.77586673
   0.57777113  0.67187745 -0.01504536
   0.90748213  0.57945742  0.35920393
   0.60043522  0.90617599  0.13935660
   0.85571015  0.86963047  0.25945448
   0.65214324  0.65752676  0.46368345
   0.88260759  0.66874995  0.89816578
   0.66546690  0.91942312  0.58731228
   0.89276575  0.89505942  0.74578690
   0.09876069  0.10627392  0.11089328
   0.33891407  0.20031389  0.29289829
   0.16265963  0.33574629  0.00530944
   0.36143811  0.46864793  0.33777733
   0.52444608  0.36200130  0.19727921
   0.28201863  0.39049003  0.15802504
   0.21167306  0.11986517  0.44220802
  -0.01556405  0.21695946  0.38318444
   0.00392235  0.03350735  0.53570063
   0.36569513  0.25175858  0.84538600
   0.06191888  0.29055891  0.56184707
   0.35960311  0.51878873  0.81702207
   0.49797934  0.34436225  0.69205723
   0.21680148  0.33965748  0.69952404
   0.23398551  0.07213086 -0.05397175
  -0.03125690  0.20308385  0.95768619
   0.22756144  0.58497159  0.03105698
   0.37984273  0.70916905  0.25585736
   0.18147391  0.85807924  0.04912784
   0.38299868  0.94616179  0.36676691
   0.45730685  0.94388827  0.18105817
   0.19272563  0.91335197  0.23758788
   0.29536453  0.68675312  0.45122945
   0.06329967  0.53313178  0.39892092
   0.31911507  0.40155178  0.52017662
   0.38975137  0.77048158  0.71892328
   0.04686665  0.77343838  0.49073462
   0.33539565  1.01587295  0.76643281
   0.50856082  0.96983288  0.63524396
   0.23412484  0.90028281  0.60048159
   0.23832350  0.77034536 -0.11296688
  -0.00359201  0.69428110  0.97276334
   0.67809755  0.03885495  0.08306623
   0.84487979  0.23948233  0.21345179
   0.58263519  0.27965967  0.00896235
   0.86790347  0.48108579  0.27357477
   0.01781520  0.49984863  0.13036140
   0.76675302  0.42600162  0.10640349
   0.71350788  0.24351085  0.38509024
   0.49273950  0.16685906  0.45469591
   0.71201628  0.06137643  0.52293097
   0.89596431  0.24936383  0.77111184
   0.64464754  0.32466078  0.56911652
   0.90074206  0.52483216  0.83839293
   1.13014402  0.56161440  0.59512761
   0.78991909  0.44776805  0.66004795
   0.74310475  0.11060472  0.89716756
   0.50323487  0.06291681  0.92590811
   0.52352320  0.53683690  0.04084384
   0.91614689  0.72847569  0.30514502
   0.58693280  0.79712298  0.05437814
   0.85345277  1.00605937  0.32519593
   0.95021876  0.89368187  0.16363112
   0.69853153  0.85672397  0.22281113
   0.79237433  0.56911391  0.44948306
   0.55130297  0.64479367  0.36805653
   0.56386448  0.57829451  0.55142759
   0.82807297  0.80038930  0.82755946
   0.67126220  0.82789830  0.47987950
   0.98616461  0.99575222  0.82034053
   1.01352766  0.83261583  0.67662350
   0.78019898  0.98433593  0.68428736
   0.75027571  0.63723726  0.97296947
   0.51414971  0.69583252  0.88066202
   0.71728957  0.78337921  0.64500499
   0.91005088  1.18316339  0.63685067
   1.07269834  0.31336251  0.20180376
   1.08389610  1.22319980  0.17099175
   0.29984331  0.15083604  0.66669724
   0.36444495  0.11736657  0.60811248
   0.39394170  1.30206783 -0.09689415
  -0.20183301  1.51985656  0.06416880
   0.70212925  0.38417882  0.85568356
   0.58163457  0.56421255  0.71733278
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838519    0.574621    0.144401
    -0.000000    9.775760    0.068907
    -0.000000    0.000000   13.755965
   Si   O    H 
    32    64    10
Direct configuration=  3762
   0.11798845  0.17743643  0.00087081
   0.35860939  0.11238794  0.39373710
   0.16853239  0.45954280  0.08949846
   0.37610548  0.34981058  0.25263851
   0.06779854  0.17064691  0.48373893
   0.36141472  0.07596926  0.87211149
   0.18641468  0.40024308  0.58881908
   0.35947787  0.37970121  0.75418430
   0.16103087  0.72553882 -0.02166535
   0.39401794  0.62184711  0.35679553
   0.10524152  0.93517799  0.14267560
   0.35786042  0.87215525  0.26360664
   0.14188743  0.62528965  0.48160642
   0.36641080  0.69206624  0.82049800
   0.07644895  0.89042332  0.57410287
   0.36115292  0.91567603  0.67434891
   0.63392265  0.11861823  0.98501589
   0.84735599  0.17783559  0.33086779
   0.59258254  0.39840794  0.09155100
   0.91175666  0.38984014  0.18918617
   0.64178838  0.20078655  0.49260929
   0.89859024  0.13371021  0.85905213
   0.60510239  0.46543538  0.63924028
   0.80480488  0.42116446  0.77593040
   0.57747845  0.67129686 -0.01597998
   0.90805516  0.58084970  0.35933389
   0.60016289  0.90558876  0.13978726
   0.85548114  0.86807724  0.25840670
   0.65361137  0.65786640  0.46279230
   0.88254718  0.67010178  0.89843721
   0.66779836  0.91900850  0.58755302
   0.89278793  0.89629585  0.74552329
   0.09705429  0.10385306  0.11100238
   0.33864901  0.20121171  0.29267447
   0.16336650  0.33640247  0.00587019
   0.36068324  0.46889548  0.33672573
   0.52296758  0.36185015  0.19888395
   0.28442014  0.38997005  0.15823100
   0.21251830  0.12117483  0.44211420
  -0.01635119  0.21767676  0.38334846
   0.00519632  0.03271158  0.53621532
   0.36684533  0.25207179  0.84501948
   0.06188344  0.29109926  0.56188853
   0.36092158  0.51893319  0.81651754
   0.49703028  0.34398681  0.69220586
   0.21809763  0.34042643  0.69925291
   0.23395502  0.07225595 -0.05381612
  -0.03088247  0.20306757  0.95839343
   0.22710483  0.58577895  0.03054005
   0.37944548  0.70863948  0.25635704
   0.18355780  0.85817203  0.04991098
   0.38320436  0.94714001  0.36717912
   0.45708260  0.94366548  0.18038638
   0.19269330  0.91120275  0.23805190
   0.29412518  0.68796493  0.45129798
   0.06151021  0.53355246  0.39928978
   0.31862206  0.40186029  0.52003673
   0.39007247  0.76962472  0.72032048
   0.04753488  0.77208841  0.49178476
   0.33504193  1.01718972  0.76614144
   0.51054129  0.97018434  0.63376980
   0.23246006  0.90206987  0.60084721
   0.23735034  0.77129549 -0.11236505
  -0.00310298  0.69491753  0.97391665
   0.67659115  0.03720151  0.08212835
   0.84537374  0.24024077  0.21322528
   0.58243226  0.28034293  0.00932889
   0.86756808  0.48124714  0.27413949
   0.01640207  0.49947100  0.12969376
   0.76709323  0.42619293  0.10708608
   0.71261030  0.24481665  0.38631560
   0.49182045  0.16942925  0.45378114
   0.71061300  0.06148511  0.52245773
   0.89624414  0.25131788  0.77170225
   0.64392598  0.32288178  0.56932573
   0.89997899  0.52357366  0.83881871
   1.13062752  0.56050025  0.59667636
   0.78785222  0.44719030  0.65963681
   0.74206938  0.11165648  0.89804315
   0.50217697  0.06189173  0.92609216
   0.52267373  0.53685121  0.04020350
   0.91602109  0.72991613  0.30486727
   0.58481180  0.79761012  0.05359509
   0.85415842  1.00546730  0.32583387
   0.94914638  0.89384614  0.16397208
   0.69998911  0.85792640  0.22264547
   0.79416022  0.56845563  0.44952582
   0.55401469  0.64658878  0.36946706
   0.56394000  0.57725477  0.54930426
   0.82955152  0.80128285  0.82818723
   0.66945164  0.82708145  0.47990248
   0.98726585  0.99516800  0.82031698
   1.01484023  0.83045334  0.67686591
   0.77987562  0.98445923  0.68529847
   0.74842920  0.63728938  0.97264902
   0.51288117  0.69528167  0.88099417
   0.71575867  0.78778106  0.64520312
   0.91094088  1.17479459  0.62298991
   1.07388007  0.31458458  0.20168738
   1.08441553  1.22588092  0.17294013
   0.31017558  0.15049267  0.65261266
   0.35104105  0.11994947  0.62282881
   0.39287348  1.29691024 -0.09594462
  -0.20059694  1.51694238  0.06125398
   0.69661902  0.38810599  0.85324302
   0.58285889  0.56515533  0.71729010
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838680    0.575401    0.141589
    -0.000000    9.775524    0.065536
    -0.000000    0.000000   13.754434
   Si   O    H 
    32    64    10
Direct configuration=  3763
   0.11815349  0.17768615  0.00119341
   0.35848142  0.11101628  0.39287401
   0.16725537  0.46017533  0.08963004
   0.37722549  0.35139389  0.25203049
   0.06912932  0.16766392  0.48254624
   0.35922580  0.07648334  0.87196282
   0.18524671  0.39826133  0.58821759
   0.36013466  0.38063746  0.75395577
   0.16033666  0.72506893 -0.02158478
   0.39385330  0.62105243  0.35761411
   0.10462808  0.93549324  0.14303750
   0.35708978  0.87211635  0.26317226
   0.14053011  0.62589805  0.48108196
   0.36689095  0.69230186  0.82019450
   0.07782964  0.89095139  0.57387560
   0.36155595  0.91696816  0.67399562
   0.63281280  0.11808840  0.98491324
   0.84779487  0.17814904  0.33110648
   0.59129985  0.40041250  0.09229755
   0.91108382  0.38959202  0.19006647
   0.64286900  0.19947512  0.49252678
   0.89737320  0.13400248  0.85819252
   0.60649690  0.46480736  0.63945827
   0.80501538  0.41836407  0.77593098
   0.57747315  0.67078299 -0.01707768
   0.90842503  0.58190207  0.35971900
   0.60038096  0.90476383  0.13976286
   0.85509419  0.86683833  0.25757676
   0.65433701  0.65855221  0.46205885
   0.88180218  0.67158811  0.89888199
   0.67037691  0.91867124  0.58769740
   0.89280971  0.89717091  0.74522136
   0.09665453  0.10106757  0.11102837
   0.33836910  0.20231493  0.29219206
   0.16415161  0.33654798  0.00648726
   0.35949149  0.46804890  0.33609705
   0.52227688  0.36198571  0.19986843
   0.28686754  0.39002582  0.15834531
   0.21314317  0.12296213  0.44195127
  -0.01742432  0.21866766  0.38374510
   0.00667778  0.03191988  0.53619869
   0.36773069  0.25339502  0.84507351
   0.06120234  0.29229342  0.56217069
   0.36176969  0.51932773  0.81586280
   0.49618289  0.34350335  0.69194443
   0.21947133  0.34064779  0.69895117
   0.23278513  0.07223493 -0.05366332
  -0.03087295  0.20302139  0.95875937
   0.22765356  0.58636175  0.03027617
   0.37927809  0.70915805  0.25690092
   0.18553741  0.85826631  0.05075977
   0.38395854  0.94825981  0.36781938
   0.45639001  0.94405882  0.18036941
   0.19305892  0.90886885  0.23843502
   0.29244249  0.68909162  0.45099313
   0.05875267  0.53458223  0.39904906
   0.31851993  0.40240489  0.51970912
   0.39079589  0.76834879  0.72150941
   0.04856653  0.77105089  0.49265756
   0.33420101  1.01905458  0.76632378
   0.51176532  0.97096638  0.63265550
   0.23191008  0.90405511  0.60172639
   0.23738373  0.77159090 -0.11283413
  -0.00150494  0.69636015  0.97470850
   0.67521518  0.03523683  0.08117360
   0.84624275  0.24129813  0.21373741
   0.58200133  0.28152894  0.00934293
   0.86703620  0.48173049  0.27497155
   0.01547446  0.49873849  0.12911059
   0.76697994  0.42697927  0.10764606
   0.71191294  0.24539174  0.38741722
   0.49005088  0.17175637  0.45284580
   0.70918064  0.06084154  0.52213317
   0.89654107  0.25349712  0.77212780
   0.64403122  0.32086388  0.56925730
   0.89942084  0.52306056  0.83942303
   1.13123296  0.55935812  0.59780236
   0.78628398  0.44660345  0.65924050
   0.74094749  0.11285697  0.89887701
   0.50107711  0.06081935  0.92606845
   0.52216643  0.53711375  0.03922833
   0.91583418  0.73125545  0.30501466
   0.58284402  0.79844840  0.05307941
   0.85525171  1.00503778  0.32664015
   0.94848111  0.89455848  0.16437270
   0.70212965  0.85832486  0.22287007
   0.79628907  0.56753200  0.44923833
   0.55621525  0.64774218  0.37090450
   0.56503168  0.57712493  0.54660862
   0.83110292  0.80138995  0.82902615
   0.66835322  0.82590247  0.48019416
   0.98818545  0.99492385  0.81996422
   1.01522058  0.82811915  0.67717808
   0.77972320  0.98453801  0.68593157
   0.74672036  0.63715807  0.97266487
   0.51089933  0.69422914  0.88121793
   0.71549135  0.79297382  0.64367925
   0.91155616  1.16935983  0.61210159
   1.07345183  0.30943455  0.20152637
   1.07957145  1.23065679  0.17560764
   0.30393096  0.16443968  0.65613652
   0.35876259  0.11050332  0.61613592
   0.39322223  1.29593910 -0.09503564
  -0.20569362  1.50969900  0.06099510
   0.69136305  0.39155644  0.84892477
   0.58646954  0.56424738  0.72064321
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839331    0.575953    0.139133
    -0.000000    9.774697    0.062876
    -0.000000    0.000000   13.752702
   Si   O    H 
    32    64    10
Direct configuration=  3764
   0.11775284  0.17811671  0.00160714
   0.35878657  0.10947483  0.39242339
   0.16608606  0.46001937  0.08999852
   0.37855370  0.35323109  0.25137798
   0.06928073  0.16523432  0.48107577
   0.35680939  0.07715008  0.87214537
   0.18396088  0.39592842  0.58790352
   0.36068766  0.38178801  0.75356261
   0.15902022  0.72453468 -0.02112992
   0.39320578  0.62002861  0.35824538
   0.10376486  0.93607960  0.14338257
   0.35655374  0.87278943  0.26253765
   0.13955061  0.62683756  0.48058888
   0.36705690  0.69213063  0.82010566
   0.07817881  0.89081608  0.57383260
   0.36137331  0.91863909  0.67350415
   0.63154407  0.11765238  0.98473361
   0.84780762  0.17807340  0.33103852
   0.59050259  0.40163338  0.09302902
   0.91073697  0.38910237  0.19053403
   0.64311297  0.19798223  0.49255211
   0.89706274  0.13456406  0.85729727
   0.60823075  0.46313099  0.63937731
   0.80542230  0.41636108  0.77577583
   0.57782951  0.67022556 -0.01748113
   0.90832644  0.58265657  0.36007819
   0.60101917  0.90455983  0.13953297
   0.85427073  0.86610942  0.25675794
   0.65503095  0.65876033  0.46127170
   0.88092376  0.67293946  0.89918353
   0.67289622  0.91837547  0.58808634
   0.89311297  0.89812390  0.74423973
   0.09641174  0.09844458  0.11118215
   0.33811150  0.20399042  0.29224157
   0.16460066  0.33639874  0.00683168
   0.35925506  0.46649591  0.33521266
   0.52214776  0.36197973  0.20036006
   0.28863902  0.39078994  0.15895225
   0.21354889  0.12431570  0.44205538
  -0.01834512  0.21978853  0.38462995
   0.00796784  0.03159501  0.53595945
   0.36864284  0.25385871  0.84538018
   0.06014910  0.29328391  0.56247231
   0.36267448  0.51936221  0.81555145
   0.49550200  0.34344877  0.69203730
   0.22049805  0.34067910  0.69874328
   0.23122585  0.07234834 -0.05331644
  -0.03146167  0.20189050  0.95910547
   0.22772031  0.58842112  0.02987643
   0.37920692  0.70969192  0.25815359
   0.18768228  0.85818120  0.05233765
   0.38519681  0.94919691  0.36820358
   0.45619103  0.94537001  0.18002383
   0.19483451  0.90672037  0.23914214
   0.29116912  0.69037242  0.45039051
   0.05779841  0.53541616  0.39857276
   0.31782936  0.40239839  0.51928684
   0.39185357  0.76719127  0.72262067
   0.05059991  0.76992764  0.49372250
   0.33316846  1.02021640  0.76694844
   0.51191014  0.97142532  0.63116286
   0.23173352  0.90587197  0.60229781
   0.23794884  0.77115673 -0.11356548
   0.00060969  0.69786024  0.97518732
   0.67359731  0.03353264  0.08048843
   0.84714814  0.24252316  0.21486385
   0.58184675  0.28175799  0.00951769
   0.86540124  0.48339791  0.27618204
   0.01469434  0.49793119  0.12862444
   0.76679602  0.42765223  0.10797409
   0.71150428  0.24569630  0.38844125
   0.48706315  0.17407295  0.45129419
   0.70834544  0.05907442  0.52204762
   0.89758894  0.25570717  0.77241670
   0.64467119  0.31866401  0.56911986
   0.89973150  0.52317877  0.83968302
   1.13212290  0.55868091  0.59863314
   0.78397297  0.44617941  0.65957132
   0.73998209  0.11429976  0.89893129
   0.50028359  0.05877422  0.92583782
   0.52054821  0.53855661  0.03878155
   0.91602006  0.73215990  0.30555517
   0.58136843  0.79882247  0.05266466
   0.85653904  1.00505868  0.32728282
   0.94783518  0.89534573  0.16467438
   0.70391093  0.85855820  0.22314041
   0.79928534  0.56707669  0.44840595
   0.55802772  0.64798716  0.37200483
   0.56594217  0.57758438  0.54461253
   0.83202007  0.80068214  0.82968408
   0.66680534  0.82433073  0.48098273
   0.98853837  0.99439695  0.81995359
   1.01614747  0.82562109  0.67724699
   0.78053276  0.98604326  0.68619979
   0.74533400  0.63730330  0.97221154
   0.50849485  0.69420944  0.88118992
   0.71534153  0.79717785  0.64272992
   0.90856975  1.16339631  0.60241292
   1.07032029  0.30764500  0.20318891
   1.07332707  1.23398843  0.17436405
   0.30694466  0.16848322  0.65569684
   0.36027921  0.10986397  0.61310937
   0.39443295  1.29639209 -0.08973311
  -0.21525053  1.50102693  0.06077549
   0.68664431  0.39311108  0.84399606
   0.58905010  0.55821268  0.72255233
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839849    0.575934    0.136542
    -0.000000    9.774205    0.059694
    -0.000000    0.000000   13.750859
   Si   O    H 
    32    64    10
Direct configuration=  3765
   0.11665499  0.17867138  0.00239596
   0.35981991  0.10841819  0.39209623
   0.16531304  0.45999390  0.09040685
   0.38001139  0.35574039  0.25114079
   0.06929382  0.16377730  0.47986894
   0.35529190  0.07823371  0.87220675
   0.18282768  0.39402749  0.58765413
   0.36084406  0.38269778  0.75326658
   0.15835671  0.72512381 -0.02047754
   0.39317372  0.61890800  0.35908174
   0.10294992  0.93697625  0.14384324
   0.35637629  0.87315807  0.26205031
   0.13938555  0.62801635  0.48044878
   0.36685424  0.69143722  0.82013502
   0.07921923  0.88996239  0.57415601
   0.36120142  0.92010676  0.67289263
   0.62998005  0.11676368  0.98437621
   0.84743155  0.17775694  0.33116418
   0.59016824  0.40322089  0.09369844
   0.91081462  0.38904929  0.19085477
   0.64263087  0.19747829  0.49212210
   0.89672175  0.13563865  0.85633340
   0.60975813  0.46153804  0.63899635
   0.80591582  0.41413029  0.77590179
   0.57844922  0.67029412 -0.01796999
   0.90937688  0.58364194  0.36031070
   0.60213658  0.90400822  0.13888229
   0.85477785  0.86605914  0.25602066
   0.65549285  0.65922584  0.46109631
   0.87965925  0.67366300  0.89945137
   0.67498651  0.91768800  0.58859216
   0.89356903  0.89972112  0.74402095
   0.09680512  0.09625907  0.11116248
   0.33863737  0.20472397  0.29203284
   0.16530600  0.33642952  0.00790310
   0.35882207  0.46551843  0.33467947
   0.52298520  0.36139524  0.20051126
   0.28922027  0.39369518  0.15931630
   0.21443006  0.12593712  0.44203972
  -0.01918335  0.22089640  0.38600841
   0.00854055  0.03140444  0.53618393
   0.36919691  0.25412688  0.84619523
   0.05870974  0.29423568  0.56257247
   0.36210704  0.51977835  0.81508793
   0.49468202  0.34409727  0.69234695
   0.22258800  0.34118545  0.69933551
   0.22891273  0.07350078 -0.05328712
  -0.03201309  0.20082436  0.95928113
   0.22757894  0.59104482  0.03019228
   0.37928749  0.71073867  0.25913651
   0.19035630  0.85719382  0.05440558
   0.38641608  0.94997966  0.36889014
   0.45562657  0.94639935  0.17973536
   0.19712840  0.90413769  0.23960509
   0.29035270  0.69099693  0.44955425
   0.05697025  0.53615478  0.39794888
   0.31668975  0.40067032  0.51890243
   0.39308463  0.76605494  0.72330810
   0.05150202  0.77006735  0.49467858
   0.33231818  1.02151993  0.76783766
   0.51164584  0.97201270  0.63010149
   0.23201715  0.90733569  0.60309550
   0.23967671  0.77116885 -0.11497312
   0.00290249  0.69887316  0.97563668
   0.67232085  0.03243488  0.08020191
   0.84823116  0.24345232  0.21622419
   0.58181222  0.28176511  0.00949749
   0.86487296  0.48472146  0.27736850
   0.01375746  0.49745723  0.12844806
   0.76637206  0.42810134  0.10803427
   0.71235075  0.24520638  0.38914254
   0.48402241  0.17726164  0.44993347
   0.70771133  0.05676571  0.52262773
   0.89839729  0.25777547  0.77301485
   0.64598002  0.31707983  0.56864027
   0.89956131  0.52354065  0.83987476
   1.13279899  0.55839515  0.59905775
   0.78153370  0.44660165  0.65996526
   0.74006010  0.11542889  0.89902198
   0.49962314  0.05633280  0.92534932
   0.51831864  0.53956728  0.03875465
   0.91629261  0.73270483  0.30654200
   0.58037585  0.79925283  0.05274352
   0.85644378  1.00520073  0.32774321
   0.94821740  0.89666701  0.16459063
   0.70545759  0.85909147  0.22286316
   0.80186224  0.56733759  0.44756005
   0.55884439  0.64786434  0.37225960
   0.56724609  0.57752096  0.54412909
   0.83317520  0.79984430  0.83043309
   0.66615062  0.82298292  0.48203565
   0.98824112  0.99412072  0.81981427
   1.01639728  0.82329390  0.67724807
   0.78106795  0.98811006  0.68684351
   0.74427438  0.63632677  0.97188477
   0.50628673  0.69341595  0.88204671
   0.71365840  0.79599335  0.64373818
   0.90477698  1.15562682  0.59412394
   1.06994030  0.30153341  0.20597817
   1.06087753  1.23638361  0.17544433
   0.31710287  0.16089723  0.64698460
   0.35201541  0.12325146  0.61486758
   0.39075623  1.29356779 -0.08778662
  -0.22607167  1.49384364  0.05710857
   0.68420568  0.39344811  0.83891535
   0.59091199  0.55503974  0.72340133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.840502    0.576872    0.133733
    -0.000000    9.774080    0.056646
    -0.000000    0.000000   13.749334
   Si   O    H 
    32    64    10
Direct configuration=  3766
   0.11486835  0.17925542  0.00319113
   0.36039983  0.10770378  0.39179777
   0.16490859  0.46025134  0.09025485
   0.37980335  0.35765803  0.25128159
   0.06956113  0.16381476  0.47912850
   0.35458800  0.07973381  0.87212030
   0.18240540  0.39237712  0.58753129
   0.36132254  0.38396664  0.75317483
   0.15822258  0.72575227 -0.01977974
   0.39375735  0.61861701  0.36009244
   0.10208428  0.93774507  0.14421499
   0.35585708  0.87406074  0.26169271
   0.13920408  0.62845946  0.48083268
   0.36629383  0.69083112  0.82032076
   0.07993869  0.88917148  0.57460675
   0.36114196  0.92125901  0.67277551
   0.62843388  0.11603645  0.98386325
   0.84617221  0.17756532  0.33112094
   0.58999511  0.40472889  0.09411478
   0.91079910  0.38867027  0.19089267
   0.64187819  0.19685577  0.49113712
   0.89601289  0.13712399  0.85593509
   0.61071582  0.45995580  0.63894858
   0.80641331  0.41242018  0.77600571
   0.58005629  0.66995140 -0.01798838
   0.91016113  0.58433713  0.36084655
   0.60382354  0.90398357  0.13834988
   0.85499509  0.86632213  0.25522736
   0.65547282  0.65942553  0.46130358
   0.87759449  0.67381874  0.89983690
   0.67684426  0.91764198  0.58933301
   0.89445273  0.90052828  0.74370247
   0.09706816  0.09506114  0.11068126
   0.33835868  0.20513945  0.29167048
   0.16654171  0.33631199  0.00896345
   0.35838835  0.46426151  0.33451344
   0.52462336  0.36020447  0.20058833
   0.28823770  0.39631897  0.15924536
   0.21622212  0.12706747  0.44167026
  -0.01978215  0.22212640  0.38721966
   0.00920900  0.03199474  0.53624521
   0.36930284  0.25459436  0.84690620
   0.05653453  0.29385375  0.56237711
   0.36107951  0.52014296  0.81520459
   0.49373873  0.34425306  0.69270116
   0.22412345  0.34194123  0.70016371
   0.22596748  0.07477346 -0.05310787
  -0.03276753  0.19946569  0.95922904
   0.22731711  0.59329469  0.03067879
   0.37879386  0.71114797  0.25976541
   0.19299281  0.85653485  0.05601343
   0.38764894  0.95091566  0.36913515
   0.45431342  0.94687762  0.18027542
   0.19885484  0.90327638  0.23982838
   0.28953279  0.69086023  0.44845565
   0.05660671  0.53733424  0.39739145
   0.31543960  0.39993325  0.51835122
   0.39467653  0.76446532  0.72372065
   0.05237094  0.77091565  0.49603376
   0.33132950  1.02249348  0.76863951
   0.51144212  0.97064358  0.62922446
   0.23241410  0.90898386  0.60360879
   0.24193989  0.77011994 -0.11646768
   0.00397577  0.70009180  0.97612500
   0.67064517  0.03115694  0.08001990
   0.84920207  0.24484618  0.21764529
   0.58225682  0.28145672  0.00919814
   0.86381145  0.48539429  0.27839019
   0.01321422  0.49669093  0.12839302
   0.76578005  0.42783957  0.10824556
   0.71382903  0.24536319  0.38921408
   0.48084493  0.17924111  0.44915401
   0.70740003  0.05435365  0.52317928
   0.89935238  0.25886841  0.77426850
   0.64776774  0.31524078  0.56792143
   0.89938320  0.52413083  0.83984858
   1.13364653  0.55820742  0.59889473
   0.77911635  0.44695120  0.66081032
   0.74120005  0.11667094  0.89865558
   0.49877055  0.05408498  0.92540384
   0.51649468  0.54054148  0.03895482
   0.91601874  0.73322351  0.30718307
   0.57957475  0.79935353  0.05276768
   0.85651905  1.00506209  0.32769173
   0.94882786  0.89831269  0.16407992
   0.70688992  0.85940224  0.22192196
   0.80474485  0.56781275  0.44704395
   0.55902703  0.64777827  0.37201611
   0.56817135  0.57804572  0.54377379
   0.83406962  0.79930883  0.83068221
   0.66550602  0.82118534  0.48316364
   0.98816740  0.99504237  0.81983549
   1.01621335  0.82088829  0.67723634
   0.78157193  0.99085370  0.68701460
   0.74347081  0.63503911  0.97156017
   0.50394014  0.69334004  0.88223476
   0.71492855  0.78867586  0.64449351
   0.89930588  1.14425278  0.58584518
   1.07401883  0.29930354  0.21056039
   1.05150079  1.23263834  0.17445381
   0.31735154  0.16793270  0.65136006
   0.35753122  0.12660760  0.60466550
   0.38800293  1.29549393 -0.08971446
  -0.22865320  1.49601962  0.04934324
   0.68036609  0.39686405  0.83058696
   0.59201337  0.55513431  0.72450378
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841208    0.577351    0.130807
    -0.000000    9.774131    0.053858
    -0.000000    0.000000   13.747977
   Si   O    H 
    32    64    10
Direct configuration=  3767
   0.11329137  0.17948951  0.00372980
   0.36107960  0.10754190  0.39130716
   0.16500578  0.46049865  0.09015595
   0.37954818  0.35847763  0.25147985
   0.07019332  0.16378379  0.47877554
   0.35416572  0.08067408  0.87151719
   0.18253939  0.39046113  0.58722196
   0.36156838  0.38488871  0.75313085
   0.15821989  0.72674705 -0.01890648
   0.39442285  0.61937198  0.36114094
   0.10181159  0.93848132  0.14439137
   0.35605538  0.87466247  0.26169210
   0.13895432  0.62849275  0.48088700
   0.36578059  0.68985870  0.82072661
   0.07979545  0.88792116  0.57508111
   0.36150258  0.92187518  0.67270091
   0.62738582  0.11528161  0.98333856
   0.84454756  0.17775092  0.33081645
   0.58970146  0.40591171  0.09411572
   0.91019651  0.38912804  0.19096126
   0.64049986  0.19640680  0.49031469
   0.89580402  0.13791455  0.85579424
   0.61116631  0.45809503  0.63835513
   0.80722246  0.41044986  0.77581009
   0.58149034  0.66953902 -0.01806685
   0.91111552  0.58424744  0.36151432
   0.60512050  0.90405656  0.13842350
   0.85529094  0.86718456  0.25463703
   0.65530891  0.65925534  0.46263865
   0.87540550  0.67383466  0.89957219
   0.67865270  0.91737869  0.59041224
   0.89649700  0.90129889  0.74358896
   0.09599186  0.09416608  0.11018478
   0.33844820  0.20574940  0.29167814
   0.16794783  0.33581481  0.00992037
   0.35828696  0.46367143  0.33481056
   0.52735593  0.35958483  0.20115747
   0.28614194  0.39912868  0.15908675
   0.21766651  0.12792152  0.44103857
  -0.01996946  0.22363162  0.38863358
   0.00995025  0.03317371  0.53600345
   0.36985550  0.25586372  0.84720911
   0.05470006  0.29311279  0.56224123
   0.36027481  0.52062101  0.81534284
   0.49281882  0.34495300  0.69297415
   0.22530099  0.34202050  0.70105372
   0.22379965  0.07646668 -0.05302250
  -0.03335432  0.19768280  0.95903045
   0.22757304  0.59522193  0.03150567
   0.37775965  0.71045262  0.26072811
   0.19442005  0.85602298  0.05705776
   0.38857096  0.95124476  0.36900059
   0.45292728  0.94749141  0.18028250
   0.19882056  0.90268940  0.24023048
   0.28838153  0.69115012  0.44711499
   0.05699485  0.53883891  0.39703106
   0.31310222  0.40014452  0.51831861
   0.39608001  0.76263307  0.72363450
   0.05333142  0.77245361  0.49708414
   0.32990063  1.02308817  0.76910130
   0.51086605  0.96925996  0.62834786
   0.23316528  0.91133563  0.60390130
   0.24406524  0.76890138 -0.11816918
   0.00463101  0.70121343  0.97637942
   0.66919910  0.03019498  0.07983163
   0.84961908  0.24644610  0.21918524
   0.58274250  0.28162948  0.00963523
   0.86237764  0.48596446  0.27934972
   0.01294645  0.49603380  0.12848395
   0.76494611  0.42839420  0.10814991
   0.71556736  0.24593998  0.38876384
   0.47885819  0.18085213  0.44845322
   0.70751275  0.05328687  0.52355019
   0.90040680  0.25963973  0.77530636
   0.64959488  0.31346250  0.56734512
   0.89844481  0.52441626  0.84019678
   1.13434384  0.55910344  0.59819423
   0.77719993  0.44750021  0.66192191
   0.74234867  0.11819772  0.89780037
   0.49874670  0.05213936  0.92524523
   0.51456627  0.54165486  0.03936609
   0.91615640  0.73289953  0.30811902
   0.57912388  0.79901667  0.05255472
   0.85655970  1.00544718  0.32728820
   0.94961262  0.89968294  0.16302739
   0.70776730  0.85941453  0.22131601
   0.80726751  0.56862343  0.44637190
   0.55900961  0.64837538  0.37131140
   0.56895739  0.57873287  0.54351509
   0.83440776  0.79902893  0.83039762
   0.66503407  0.81789265  0.48416475
   0.98762711  0.99600037  0.81997687
   1.01537522  0.81950920  0.67743859
   0.78216674  0.99416671  0.68746513
   0.74298071  0.63320149  0.97150613
   0.50090096  0.69340901  0.88252865
   0.71755653  0.77952344  0.64566827
   0.89354881  1.12858188  0.57930500
   1.07860128  0.29238119  0.21395940
   1.04692296  1.22927053  0.17491082
   0.32111651  0.17182115  0.64973513
   0.36121862  0.13512346  0.60337579
   0.38853613  1.30144153 -0.09387699
  -0.23052721  1.50040195  0.04771130
   0.67479628  0.40095175  0.82385617
   0.59172670  0.55409433  0.72770748
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841824    0.577758    0.127890
    -0.000000    9.774126    0.051233
    -0.000000    0.000000   13.746509
   Si   O    H 
    32    64    10
Direct configuration=  3768
   0.11204863  0.17984202  0.00460896
   0.36219562  0.10761074  0.39084667
   0.16572953  0.46033834  0.08996051
   0.37946628  0.35863734  0.25147872
   0.07093139  0.16424105  0.47881964
   0.35318911  0.08221744  0.87092587
   0.18230293  0.38923590  0.58692395
   0.36210500  0.38566370  0.75284207
   0.15825365  0.72791641 -0.01824475
   0.39505975  0.61975452  0.36240138
   0.10226840  0.93886122  0.14449320
   0.35635931  0.87560045  0.26198229
   0.13951695  0.62839328  0.48069670
   0.36480992  0.68901552  0.82169956
   0.07952453  0.88616981  0.57600807
   0.36245108  0.92204596  0.67260846
   0.62624798  0.11490344  0.98228359
   0.84265816  0.17766124  0.33061640
   0.58903360  0.40695854  0.09403270
   0.90932657  0.38981235  0.19136493
   0.63931392  0.19615555  0.48927571
   0.89571254  0.13890692  0.85598141
   0.61167973  0.45604297  0.63749847
   0.80786298  0.40916364  0.77586990
   0.58211938  0.66889296 -0.01767068
   0.91171410  0.58422454  0.36159471
   0.60634897  0.90431387  0.13828990
   0.85504767  0.86818703  0.25458968
   0.65538649  0.65879690  0.46381031
   0.87316208  0.67341622  0.89942385
   0.68081565  0.91799943  0.59137106
   0.89828865  0.90195166  0.74367028
   0.09587040  0.09430078  0.10914856
   0.33869581  0.20615687  0.29206894
   0.16946126  0.33509384  0.01078365
   0.35791361  0.46477121  0.33535011
   0.53062667  0.35859001  0.20090097
   0.28324888  0.40106017  0.15895009
   0.21910094  0.12820069  0.44039060
  -0.01944449  0.22412500  0.38927046
   0.01026028  0.03537742  0.53661311
   0.36966686  0.25620418  0.84734138
   0.05401917  0.29147180  0.56153659
   0.35876225  0.52169539  0.81586514
   0.49282891  0.34618948  0.69384857
   0.22509419  0.34191007  0.70229789
   0.22152624  0.07837800 -0.05373998
  -0.03439879  0.19641403  0.95848837
   0.22824698  0.59669653  0.03254290
   0.37672670  0.70897888  0.26153800
   0.19539983  0.85482734  0.05797356
   0.38996429  0.95052367  0.36868867
   0.45215311  0.94834025  0.17999222
   0.19827337  0.90168281  0.24079693
   0.28715679  0.69132485  0.44563864
   0.05842123  0.54061089  0.39703122
   0.31012214  0.40026936  0.51870140
   0.39674589  0.76227222  0.72278249
   0.05362260  0.77372188  0.49750140
   0.32927889  1.02336638  0.76952153
   0.50968562  0.96746007  0.62740188
   0.23303591  0.91385563  0.60333912
   0.24552990  0.76795653 -0.11983266
   0.00403428  0.70143042  0.97644246
   0.66831143  0.02924676  0.07937714
   0.84988963  0.24752695  0.22092368
   0.58344557  0.28224700  0.01016301
   0.86133719  0.48772660  0.28006105
   0.01176283  0.49581600  0.12837244
   0.76370153  0.43045213  0.10746378
   0.71729194  0.24700122  0.38748840
   0.47730435  0.18231957  0.44805061
   0.70835926  0.05289942  0.52350974
   0.90115182  0.26060330  0.77639334
   0.65155697  0.31236341  0.56672631
   0.89792506  0.52442886  0.84037097
   1.13479407  0.55955900  0.59712874
   0.77636700  0.44830168  0.66312826
   0.74296069  0.11983624  0.89676953
   0.49839034  0.04956454  0.92547296
   0.51257537  0.54253990  0.03982308
   0.91621740  0.73252434  0.30929113
   0.57907788  0.79933522  0.05261056
   0.85551622  1.00575035  0.32688543
   0.95012853  0.90154864  0.16147965
   0.70783519  0.85931892  0.22032743
   0.80810078  0.56945011  0.44609250
   0.55784670  0.64981922  0.37069228
   0.56964408  0.57903093  0.54345658
   0.83498211  0.79890516  0.83006371
   0.66488304  0.81493846  0.48521317
   0.98724108  0.99664900  0.81985804
   1.01405713  0.81892604  0.67719372
   0.78189025  0.99761815  0.68763001
   0.74301678  0.63227179  0.97091291
   0.49832814  0.69377499  0.88278602
   0.72138870  0.77292491  0.64546355
   0.88888683  1.10828406  0.57630854
   1.08066489  0.28347760  0.21182445
   1.04865112  1.22872234  0.17822982
   0.33059864  0.17075920  0.64428829
   0.36165196  0.14817621  0.60620836
   0.38920378  1.31172408 -0.09209051
  -0.22964688  1.50189229  0.05058903
   0.66892024  0.40796625  0.82148509
   0.58858014  0.55239982  0.72961989
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842673    0.578138    0.124947
    -0.000000    9.774377    0.048749
    -0.000000    0.000000   13.745192
   Si   O    H 
    32    64    10
Direct configuration=  3769
   0.11090467  0.18022767  0.00518626
   0.36349464  0.10802075  0.39035093
   0.16655198  0.46080227  0.08951409
   0.37927081  0.35863312  0.25142146
   0.07124266  0.16450507  0.47890585
   0.35259931  0.08402593  0.87060065
   0.18213597  0.38897770  0.58668400
   0.36280931  0.38610680  0.75263161
   0.15883533  0.72901256 -0.01722735
   0.39542368  0.62069718  0.36387692
   0.10240221  0.93898571  0.14464128
   0.35692113  0.87620889  0.26182238
   0.14004502  0.62826945  0.48059896
   0.36450853  0.68816637  0.82216023
   0.07881759  0.88455651  0.57698607
   0.36367459  0.92208405  0.67280083
   0.62503986  0.11464607  0.98113433
   0.84101628  0.17748928  0.33022716
   0.58791928  0.40723263  0.09412609
   0.90798976  0.39125575  0.19175663
   0.63762386  0.19684304  0.48810061
   0.89558220  0.13990410  0.85610576
   0.61234723  0.45433155  0.63718119
   0.80871484  0.40857691  0.77603135
   0.58221496  0.66829672 -0.01711651
   0.91284631  0.58428310  0.36093507
   0.60711059  0.90446069  0.13789238
   0.85554233  0.86869240  0.25530949
   0.65555445  0.65810399  0.46476163
   0.87155777  0.67252324  0.89956434
   0.68235253  0.91810239  0.59209858
   0.89973810  0.90298340  0.74393278
   0.09637950  0.09491697  0.10794523
   0.33874909  0.20638181  0.29278124
   0.17075520  0.33354987  0.01128949
   0.35707972  0.46669194  0.33585685
   0.53391607  0.35730051  0.20008302
   0.28138948  0.40256444  0.15889234
   0.21965625  0.12846468  0.43977427
  -0.01863455  0.22403348  0.38967907
   0.01003990  0.03682025  0.53784669
   0.36946186  0.25745857  0.84856626
   0.05353171  0.28962125  0.56081391
   0.35648541  0.52316643  0.81624057
   0.49304068  0.34819039  0.69427254
   0.22453496  0.34166200  0.70315876
   0.21961587  0.08007951 -0.05460695
  -0.03610769  0.19537272  0.95818356
   0.22931939  0.59683924  0.03337181
   0.37465257  0.70788790  0.26279817
   0.19514251  0.85353319  0.05899454
   0.39167513  0.94944986  0.36767608
   0.45125347  0.94863013  0.17995880
   0.19682477  0.90127207  0.24038996
   0.28592322  0.69025663  0.44461958
   0.06084149  0.54181651  0.39669225
   0.30749625  0.40053895  0.51854371
   0.39726359  0.76294841  0.72207891
   0.05438304  0.77561498  0.49789147
   0.32872049  1.02337110  0.76975694
   0.50841731  0.96475139  0.62674342
   0.23295255  0.91673706  0.60267719
   0.24562459  0.76643423 -0.12077695
   0.00217299  0.70137198  0.97635659
   0.66686617  0.02857073  0.07843937
   0.84950145  0.24888240  0.22271144
   0.58399030  0.28235775  0.01098534
   0.85969670  0.48910215  0.28077088
   0.01084285  0.49559177  0.12800014
   0.76283414  0.43192556  0.10645507
   0.71845641  0.24748189  0.38633584
   0.47679216  0.18369637  0.44752844
   0.70941448  0.05308619  0.52367775
   0.90283683  0.26159346  0.77814722
   0.65252719  0.31128928  0.56628134
   0.89720610  0.52500852  0.84027305
   1.13484339  0.56057674  0.59591504
   0.77596366  0.44935590  0.66443336
   0.74369242  0.12207293  0.89609270
   0.49799106  0.04681359  0.92597961
   0.51138115  0.54328801  0.04005489
   0.91579406  0.73310352  0.30987714
   0.57998042  0.79993841  0.05236315
   0.85440097  1.00684932  0.32611387
   0.95032152  0.90309724  0.16016845
   0.70763734  0.85976061  0.21944047
   0.80879056  0.57020315  0.44635235
   0.55687802  0.65169465  0.37026612
   0.57014830  0.57845908  0.54391354
   0.83641214  0.79952142  0.82950442
   0.66480707  0.81288013  0.48671527
   0.98551626  0.99760171  0.81931940
   1.01329973  0.81842111  0.67705273
   0.78253095  1.00134217  0.68807142
   0.74275423  0.63081941  0.97019007
   0.49772659  0.69320135  0.88357246
   0.72483615  0.76865908  0.64471037
   0.88794748  1.08759694  0.57326461
   1.08221347  0.27890084  0.21063328
   1.05405474  1.22835041  0.18069483
   0.32528599  0.17795501  0.65614940
   0.37359109  0.15144495  0.59575817
   0.38741362  1.31549696 -0.09295552
  -0.22577320  1.50232999  0.05710864
   0.66479022  0.41244386  0.82198142
   0.58530504  0.55178418  0.72969982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843496    0.578398    0.122359
    -0.000000    9.774762    0.046132
    -0.000000    0.000000   13.743610
   Si   O    H 
    32    64    10
Direct configuration=  3770
   0.11000623  0.17945302  0.00575525
   0.36503463  0.10894185  0.38976908
   0.16723026  0.46062372  0.08878234
   0.37860636  0.35884386  0.25129902
   0.07203939  0.16538902  0.47925193
   0.35254714  0.08476038  0.87055937
   0.18207521  0.38933139  0.58678901
   0.36364095  0.38639641  0.75224107
   0.15975901  0.73017675 -0.01645702
   0.39589826  0.62120856  0.36563338
   0.10258745  0.93882020  0.14433682
   0.35684064  0.87685730  0.26159836
   0.14093306  0.62758973  0.48067203
   0.36425606  0.68752139  0.82225750
   0.07834885  0.88298879  0.57861223
   0.36454959  0.92198584  0.67313905
   0.62394484  0.11408398  0.97944275
   0.83991064  0.17712541  0.33062651
   0.58649303  0.40762325  0.09401260
   0.90641594  0.39279399  0.19172314
   0.63502496  0.19771418  0.48701656
   0.89489034  0.14111230  0.85636373
   0.61307879  0.45307217  0.63680309
   0.80985855  0.40888829  0.77617367
   0.58223555  0.66682848 -0.01664971
   0.91387089  0.58478680  0.36028337
   0.60783129  0.90432851  0.13732939
   0.85604230  0.86965001  0.25627220
   0.65611340  0.65719739  0.46557150
   0.87052866  0.67133626  0.89942006
   0.68308403  0.91798405  0.59268109
   0.90108196  0.90411699  0.74464278
   0.09710306  0.09537143  0.10696900
   0.33894158  0.20606397  0.29293688
   0.17132604  0.33170938  0.01193552
   0.35637965  0.46848453  0.33630060
   0.53640673  0.35672306  0.19940239
   0.27952687  0.40404561  0.15853898
   0.22015829  0.12884243  0.43930883
  -0.01853537  0.22311448  0.38957208
   0.00901784  0.03829032  0.53935129
   0.36951988  0.25944649  0.84960809
   0.05289537  0.28725829  0.56025434
   0.35391423  0.52448828  0.81634853
   0.49330598  0.34988937  0.69469456
   0.22338991  0.34117717  0.70338250
   0.21825406  0.08132091 -0.05590911
  -0.03757638  0.19390814  0.95731956
   0.22995620  0.59601260  0.03478868
   0.37280041  0.70736266  0.26356562
   0.19434353  0.85278013  0.06000581
   0.39275214  0.94802253  0.36668757
   0.45072296  0.94798622  0.18011354
   0.19535871  0.90138252  0.24029366
   0.28536948  0.68925982  0.44304625
   0.06342043  0.54262050  0.39705078
   0.30471512  0.40162950  0.51789523
   0.39815172  0.76415685  0.72071057
   0.05526490  0.77692580  0.49809870
   0.32772991  1.02315795  0.76917659
   0.50730467  0.96183604  0.62615205
   0.23310005  0.91979539  0.60171084
   0.24486434  0.76531592 -0.12156659
  -0.00056066  0.70090794  0.97596782
   0.66564947  0.02802464  0.07744813
   0.84897425  0.25002562  0.22368269
   0.58595025  0.28112301  0.01188421
   0.85784780  0.49004298  0.28079395
   0.01004225  0.49560447  0.12776495
   0.76184288  0.43279753  0.10591393
   0.71902718  0.24755383  0.38575850
   0.47687045  0.18548449  0.44805763
   0.71049027  0.05353915  0.52346971
   0.90408076  0.26255424  0.77952811
   0.65241556  0.30986078  0.56545213
   0.89689378  0.52581057  0.84030565
   1.13476948  0.56154674  0.59451311
   0.77582051  0.44997633  0.66558673
   0.74469935  0.12354180  0.89454748
   0.49817223  0.04454594  0.92601292
   0.51115202  0.54369644  0.04020610
   0.91511810  0.73469308  0.30999033
   0.58083126  0.79994935  0.05252357
   0.85329702  1.00822823  0.32510183
   0.95100138  0.90389891  0.15940244
   0.70718091  0.85950643  0.21902076
   0.80885735  0.57117091  0.44671272
   0.55590928  0.65258250  0.36953845
   0.57025786  0.57777035  0.54476569
   0.83739227  0.80030433  0.82919116
   0.66460882  0.81155542  0.48816642
   0.98387154  0.99812443  0.81906094
   1.01239550  0.81937062  0.67746011
   0.78375840  1.00469126  0.68802387
   0.74219429  0.62961291  0.96950329
   0.49754573  0.69237162  0.88429520
   0.72882257  0.77126126  0.64116045
   0.89587186  1.06870348  0.57059061
   1.08967271  0.28548045  0.21451404
   1.05333604  1.22080222  0.17793409
   0.33005485  0.17582934  0.65500901
   0.37788721  0.16058106  0.59961664
   0.38512325  1.31505571 -0.09946484
  -0.21953064  1.50421322  0.06036663
   0.66547153  0.41433249  0.82618296
   0.58327741  0.54901185  0.72689905
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843659    0.578513    0.120239
    -0.000000    9.774846    0.043583
    -0.000000    0.000000   13.741878
   Si   O    H 
    32    64    10
Direct configuration=  3771
   0.10917458  0.17911022  0.00600373
   0.36644270  0.10930166  0.38946094
   0.16784346  0.46130165  0.08812126
   0.37787694  0.35825551  0.25126084
   0.07328429  0.16654518  0.47960072
   0.35275305  0.08515581  0.87131146
   0.18247195  0.39005670  0.58687490
   0.36460184  0.38636679  0.75212305
   0.16066758  0.73181893 -0.01563205
   0.39604581  0.62225705  0.36741858
   0.10362176  0.93852705  0.14395037
   0.35666937  0.87756390  0.26152467
   0.14146451  0.62702496  0.48108802
   0.36387934  0.68723152  0.82251449
   0.07770200  0.88224229  0.58014195
   0.36539523  0.92169904  0.67349570
   0.62299703  0.11444897  0.97794426
   0.83867390  0.17723916  0.33086136
   0.58545067  0.40809736  0.09335542
   0.90439863  0.39423910  0.19161686
   0.63198500  0.19901852  0.48596692
   0.89438660  0.14303694  0.85618478
   0.61305434  0.45252437  0.63669615
   0.81127729  0.40883198  0.77665898
   0.58225111  0.66557984 -0.01599411
   0.91443995  0.58504870  0.35959412
   0.60759357  0.90401842  0.13652254
   0.85714218  0.87128611  0.25724598
   0.65615639  0.65641772  0.46617879
   0.86994215  0.67003103  0.89946344
   0.68323037  0.91712515  0.59312567
   0.90235472  0.90578975  0.74542125
   0.09759410  0.09550617  0.10536236
   0.33940482  0.20606922  0.29258240
   0.17207299  0.32987455  0.01245914
   0.35487731  0.46962479  0.33689333
   0.53799835  0.35532806  0.19887111
   0.27876102  0.40536910  0.15844289
   0.22036189  0.12841887  0.43883948
  -0.01869817  0.22268033  0.38989240
   0.00728022  0.03844533  0.54127595
   0.36902750  0.26072925  0.84917631
   0.05250448  0.28440120  0.55993129
   0.35141468  0.52517910  0.81658567
   0.49426547  0.35085615  0.69496117
   0.22240575  0.34136864  0.70400490
   0.21784677  0.08296937 -0.05766616
  -0.03888557  0.19274755  0.95659808
   0.23067349  0.59484292  0.03666793
   0.37110775  0.70700899  0.26392922
   0.19275314  0.85179759  0.06124067
   0.39338386  0.94649880  0.36578053
   0.45103600  0.94761336  0.17979947
   0.19340272  0.90101229  0.24048596
   0.28476356  0.68836283  0.44108356
   0.06648097  0.54328248  0.39743284
   0.30226123  0.40251984  0.51743537
   0.39877726  0.76526321  0.72010744
   0.05545407  0.77780570  0.49729609
   0.32580580  1.02315815  0.76798784
   0.50724477  0.95876000  0.62586654
   0.23238123  0.92227029  0.60079669
   0.24325249  0.76392361 -0.12229628
  -0.00429523  0.70061480  0.97553684
   0.66407139  0.02888879  0.07654393
   0.84822061  0.25051485  0.22467866
   0.58816685  0.28028739  0.01255125
   0.85541337  0.48998254  0.28061578
   0.00897774  0.49551714  0.12791614
   0.76083778  0.43353256  0.10592439
   0.71811344  0.24765394  0.38592206
   0.47658730  0.18690339  0.44886199
   0.71171193  0.05349792  0.52294932
   0.90611943  0.26343162  0.78099335
   0.65223307  0.30901521  0.56460282
   0.89665618  0.52673713  0.84043469
   1.13415104  0.56125724  0.59292092
   0.77532595  0.44987188  0.66704461
   0.74477560  0.12446556  0.89379834
   0.49829166  0.04210075  0.92564590
   0.51103195  0.54373823  0.04037920
   0.91434404  0.73657693  0.31041980
   0.58124008  0.80010658  0.05311004
   0.85261657  1.00986857  0.32359981
   0.95218937  0.90403067  0.15848473
   0.70627929  0.85864807  0.21838680
   0.80942604  0.57183740  0.44778020
   0.55568124  0.65237257  0.36877435
   0.56997447  0.57678649  0.54594845
   0.83799160  0.80089063  0.82864803
   0.66482489  0.81168857  0.48959548
   0.98208735  0.99890994  0.81931736
   1.01174809  0.81967073  0.67737855
   0.78469926  1.00649459  0.68773651
   0.74285117  0.62867845  0.96842855
   0.49861988  0.69158113  0.88573543
   0.73472523  0.77970386  0.63863767
   0.90906270  1.04852112  0.56420378
   1.08878414  0.28546839  0.21177731
   1.05692405  1.22268684  0.18148586
   0.34042116  0.17190540  0.64342690
   0.37110503  0.17241225  0.61527464
   0.38440691  1.32612708 -0.09308953
  -0.21107423  1.51258640  0.05795910
   0.67092162  0.41534551  0.82909040
   0.58306090  0.54370898  0.72249379
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843761    0.578434    0.118113
    -0.000000    9.774842    0.041346
    -0.000000    0.000000   13.740173
   Si   O    H 
    32    64    10
Direct configuration=  3772
   0.10827778  0.17835714  0.00616088
   0.36803460  0.10995893  0.38881853
   0.16864442  0.46181249  0.08749754
   0.37713270  0.35828369  0.25128999
   0.07467027  0.16854720  0.47992600
   0.35320577  0.08547130  0.87206071
   0.18261756  0.39061612  0.58742905
   0.36452301  0.38533852  0.75200498
   0.16110706  0.73317147 -0.01483545
   0.39614232  0.62302559  0.36881853
   0.10541032  0.93783993  0.14371781
   0.35595666  0.87748121  0.26137749
   0.14196524  0.62693295  0.48157303
   0.36387630  0.68733168  0.82213213
   0.07749265  0.88093947  0.58142304
   0.36614145  0.92153599  0.67340331
   0.62210711  0.11431062  0.97638401
   0.83818374  0.17787077  0.33079457
   0.58443819  0.40830766  0.09283097
   0.90240506  0.39579058  0.19166942
   0.62931941  0.20021228  0.48495368
   0.89459701  0.14437825  0.85647680
   0.61317416  0.45239702  0.63613941
   0.81324206  0.40892107  0.77724896
   0.58221579  0.66488033 -0.01541292
   0.91525954  0.58548470  0.35887832
   0.60667331  0.90393248  0.13565757
   0.85824492  0.87271409  0.25779676
   0.65585097  0.65562300  0.46675612
   0.86975904  0.66870285  0.89945073
   0.68274608  0.91649705  0.59364171
   0.90243241  0.90697189  0.74569862
   0.09832187  0.09594928  0.10412454
   0.34042671  0.20623797  0.29142275
   0.17230200  0.32742858  0.01275742
   0.35291198  0.47117303  0.33753808
   0.53913024  0.35416870  0.19840026
   0.27901886  0.40694158  0.15860156
   0.22092452  0.12668222  0.43942933
  -0.01895821  0.22176156  0.38996923
   0.00481430  0.03887109  0.54333205
   0.36832278  0.26216392  0.84953864
   0.05232701  0.28132003  0.55990782
   0.34847549  0.52561459  0.81650890
   0.49511675  0.35118409  0.69552548
   0.22197987  0.34312583  0.70429565
   0.21773068  0.08495394 -0.05917582
  -0.03955562  0.19183765  0.95614704
   0.23167116  0.59371896  0.03823685
   0.36953284  0.70626431  0.26331849
   0.19101356  0.85149420  0.06271769
   0.39419448  0.94557490  0.36520505
   0.45171604  0.94702948  0.17972621
   0.19185048  0.90210750  0.24078756
   0.28373105  0.68753727  0.43928860
   0.06948237  0.54379059  0.39763813
   0.29923337  0.40357205  0.51671447
   0.39943030  0.76616836  0.71981487
   0.05543452  0.77849155  0.49638865
   0.32346154  1.02379296  0.76699966
   0.50811053  0.95577421  0.62518366
   0.23181174  0.92525638  0.59962155
   0.24089763  0.76266243 -0.12285563
  -0.00752210  0.70065181  0.97471831
   0.66272438  0.03057650  0.07556683
   0.84761327  0.25121670  0.22551191
   0.58987243  0.27898834  0.01314466
   0.85405297  0.48927638  0.28005478
   0.00891518  0.49566477  0.12798523
   0.76069610  0.43436156  0.10580742
   0.71648363  0.24811286  0.38666459
   0.47696674  0.18839154  0.45019002
   0.71205152  0.05459042  0.52244789
   0.90814040  0.26440020  0.78222163
   0.65165095  0.30902272  0.56399195
   0.89681622  0.52715940  0.83990705
   1.13436959  0.56114836  0.59147028
   0.77469062  0.45007600  0.66861479
   0.74365399  0.12567487  0.89316204
   0.49845934  0.04033491  0.92498513
   0.51140278  0.54233125  0.04093777
   0.91356168  0.73840839  0.31080949
   0.58104080  0.79914188  0.05340216
   0.85150243  1.01145116  0.32254719
   0.95251531  0.90455532  0.15782025
   0.70602368  0.85792138  0.21814891
   0.80977871  0.57209817  0.44866872
   0.55572211  0.65182965  0.36817135
   0.56911629  0.57499725  0.54777408
   0.83853479  0.80144375  0.82820183
   0.66527555  0.81215680  0.49123194
   0.98092778  1.00022543  0.82038641
   1.01060066  0.82032903  0.67684060
   0.78603069  1.00821138  0.68765449
   0.74359563  0.62736051  0.96790256
   0.49988637  0.69152604  0.88707572
   0.74123798  0.79069898  0.63685362
   0.92036568  1.03177091  0.55627281
   1.08333972  0.28385763  0.20611936
   1.06155579  1.22793268  0.18792678
   0.31686874  0.16569115  0.66166235
   0.39465272  0.18103649  0.60450907
   0.38366575  1.32815808 -0.08896513
  -0.20632251  1.51569485  0.05925315
   0.68079083  0.41564652  0.83206000
   0.58359004  0.53712537  0.71695917
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844222    0.578141    0.115599
    -0.000000    9.775311    0.039887
    -0.000000    0.000000   13.738961
   Si   O    H 
    32    64    10
Direct configuration=  3773
   0.10720570  0.17753093  0.00569073
   0.36947349  0.11081761  0.38808851
   0.16962161  0.46149338  0.08654665
   0.37659123  0.35781780  0.25104685
   0.07536741  0.17085896  0.47993569
   0.35363255  0.08691118  0.87310064
   0.18341694  0.39141299  0.58819666
   0.36325274  0.38417968  0.75211045
   0.16149868  0.73429546 -0.01420149
   0.39647304  0.62361106  0.36972741
   0.10708670  0.93760335  0.14325937
   0.35512255  0.87707316  0.26158796
   0.14298583  0.62703755  0.48246646
   0.36493349  0.68741586  0.82121758
   0.07762363  0.87938329  0.58187270
   0.36668046  0.92146014  0.67305105
   0.62124958  0.11449072  0.97496832
   0.83832084  0.17767748  0.33020989
   0.58488376  0.40767919  0.09231204
   0.90021375  0.39753339  0.19177178
   0.62732790  0.20137677  0.48388597
   0.89500183  0.14579675  0.85725341
   0.61317435  0.45203605  0.63550482
   0.81470234  0.41003472  0.77788924
   0.58198748  0.66397054 -0.01489274
   0.91604821  0.58608769  0.35846765
   0.60554660  0.90425288  0.13484156
   0.85921513  0.87378344  0.25816940
   0.65527417  0.65475479  0.46729633
   0.86942044  0.66748123  0.89918845
   0.68232911  0.91663999  0.59389128
   0.90256917  0.90797879  0.74575410
   0.09816827  0.09657158  0.10305778
   0.34168568  0.20649849  0.29060458
   0.17196262  0.32568298  0.01255103
   0.35096999  0.47302921  0.33784699
   0.54033951  0.35259645  0.19836740
   0.27923586  0.40786978  0.15912228
   0.22104765  0.12492210  0.44020287
  -0.01954123  0.22094513  0.39002693
   0.00506276  0.03775597  0.54540868
   0.36854002  0.26431184  0.85043494
   0.05330329  0.28001057  0.56061388
   0.34449594  0.52650392  0.81634324
   0.49590395  0.35190860  0.69503213
   0.22053857  0.34450085  0.70443989
   0.21845786  0.08603211 -0.05997936
  -0.04013174  0.19123281  0.95620826
   0.23305258  0.59328673  0.03994270
   0.36822138  0.70525104  0.26230266
   0.18989105  0.85110594  0.06352045
   0.39523930  0.94470142  0.36424959
   0.45209806  0.94569710  0.17989608
   0.19081874  0.90409226  0.24131272
   0.28246373  0.68627285  0.43801029
   0.07187799  0.54432320  0.39785481
   0.29662325  0.40584033  0.51574207
   0.40031469  0.76762453  0.71986685
   0.05497003  0.77828430  0.49486967
   0.32118912  1.02442467  0.76602704
   0.50860592  0.95342039  0.62396071
   0.23183101  0.92731209  0.59914590
   0.23803840  0.76213972 -0.12315674
  -0.01056578  0.70101879  0.97360130
   0.66138974  0.03234713  0.07473808
   0.84732022  0.25124275  0.22637521
   0.59155144  0.27832512  0.01360203
   0.85192874  0.48853512  0.27926699
   0.00949219  0.49494160  0.12848064
   0.76082857  0.43597277  0.10623301
   0.71398343  0.24862856  0.38736217
   0.47715680  0.18936364  0.45117000
   0.71219792  0.05451136  0.52228386
   0.91025627  0.26644858  0.78295544
   0.65122935  0.30984023  0.56362826
   0.89747351  0.52714164  0.83928376
   1.13436596  0.56089816  0.59066182
   0.77472517  0.44948440  0.67015417
   0.74222144  0.12782239  0.89265971
   0.49734964  0.03980232  0.92462548
   0.51138153  0.54096833  0.04137195
   0.91283515  0.73976070  0.31149302
   0.58070489  0.79783706  0.05359188
   0.85140252  1.01211774  0.32133005
   0.95190126  0.90518365  0.15692560
   0.70709947  0.85685382  0.21815597
   0.81093601  0.57177914  0.44972132
   0.55622311  0.65183011  0.36828769
   0.56838877  0.57333906  0.54958588
   0.83941376  0.80164127  0.82753658
   0.66548926  0.81326247  0.49329204
   0.98125514  1.00123269  0.82183702
   1.00908029  0.82095075  0.67580709
   0.78828452  1.00949581  0.68777533
   0.74410726  0.62602042  0.96756094
   0.50154816  0.69163279  0.88809639
   0.74825047  0.79980565  0.63530161
   0.88850496  1.02200340  0.55393753
   1.08957816  0.30704473  0.20935779
   1.05821046  1.21572962  0.18682617
   0.30864544  0.16407416  0.66896416
   0.40135233  0.18912805  0.60469143
   0.37931318  1.32212377 -0.09131308
  -0.20946417  1.51075229  0.06404422
   0.68966800  0.41504701  0.83329938
   0.58075983  0.53752653  0.71677615
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844609    0.577517    0.113288
    -0.000000    9.775440    0.038584
    -0.000000    0.000000   13.737812
   Si   O    H 
    32    64    10
Direct configuration=  3774
   0.10653824  0.17686164  0.00536363
   0.37033077  0.11151013  0.38803449
   0.17036312  0.46126260  0.08612674
   0.37584882  0.35788135  0.25082037
   0.07633228  0.17291254  0.47983837
   0.35441488  0.08847055  0.87367764
   0.18407986  0.39204350  0.58949189
   0.36233540  0.38284404  0.75240971
   0.16187899  0.73479483 -0.01371503
   0.39701894  0.62366018  0.37053044
   0.10851633  0.93765535  0.14319400
   0.35433987  0.87574373  0.26195025
   0.14421902  0.62819109  0.48318490
   0.36667995  0.68709118  0.82056211
   0.07863850  0.87777822  0.58217290
   0.36726495  0.92090771  0.67286837
   0.62051108  0.11469716  0.97340927
   0.83923054  0.17747592  0.33004218
   0.58571056  0.40636907  0.09200934
   0.89884355  0.39841699  0.19193691
   0.62573122  0.20286965  0.48295036
   0.89540470  0.14698551  0.85772452
   0.61328771  0.45205831  0.63461525
   0.81640792  0.41075107  0.77822091
   0.58217839  0.66270825 -0.01447696
   0.91636896  0.58700415  0.35824400
   0.60403459  0.90502446  0.13398651
   0.86039330  0.87540284  0.25799546
   0.65531064  0.65347959  0.46779786
   0.86937780  0.66625601  0.89870262
   0.68152447  0.91704104  0.59405786
   0.90175567  0.90880228  0.74591644
   0.09755737  0.09693985  0.10281114
   0.34313775  0.20636495  0.28986123
   0.17151226  0.32431571  0.01278423
   0.35019878  0.47360112  0.33779721
   0.54071646  0.35109431  0.19854542
   0.27960743  0.40869715  0.16037076
   0.22186482  0.12271265  0.44100926
  -0.02048610  0.22012761  0.39019500
   0.00467106  0.03607752  0.54690772
   0.36880191  0.26595501  0.85103303
   0.05496511  0.27954730  0.56158724
   0.34079271  0.52710582  0.81644447
   0.49661855  0.35236136  0.69420063
   0.21873790  0.34572122  0.70507834
   0.21778120  0.08706230 -0.06067246
  -0.04063530  0.19090023  0.95652320
   0.23453002  0.59393956  0.04136641
   0.36698674  0.70581474  0.26104600
   0.18914507  0.85028154  0.06389284
   0.39579742  0.94455953  0.36334501
   0.45240801  0.94421647  0.17992459
   0.18961669  0.90629531  0.24169652
   0.28112664  0.68647507  0.43720923
   0.07397049  0.54427709  0.39797609
   0.29499834  0.40793065  0.51458276
   0.40065437  0.76891817  0.72022993
   0.05466260  0.77796366  0.49347565
   0.31830691  1.02565018  0.76565074
   0.51016762  0.95160559  0.62358348
   0.23136790  0.92886326  0.59897134
   0.23447973  0.76170959 -0.12345846
  -0.01243418  0.70199963  0.97274299
   0.66028825  0.03452457  0.07367317
   0.84769143  0.25136959  0.22725373
   0.59282977  0.27783458  0.01361025
   0.84989393  0.48845258  0.27860942
   0.01148283  0.49450614  0.12906749
   0.76135179  0.43698084  0.10706314
   0.71110352  0.24967271  0.38788790
   0.47588654  0.19032276  0.45205362
   0.71292626  0.05455965  0.52209517
   0.91237736  0.26856768  0.78368880
   0.65053551  0.31115788  0.56327331
   0.89812908  0.52697259  0.83848189
   1.13357425  0.56136193  0.59005107
   0.77610913  0.44962479  0.67075421
   0.74078589  0.12875009  0.89222761
   0.49674127  0.04001566  0.92449751
   0.51118090  0.54012629  0.04214865
   0.91177926  0.74062007  0.31202859
   0.58042329  0.79715243  0.05370371
   0.85143659  1.01262716  0.32061046
   0.95145591  0.90584878  0.15600296
   0.70764752  0.85603362  0.21777383
   0.81085495  0.57195939  0.45094214
   0.55627757  0.65262995  0.36902735
   0.56780254  0.57175096  0.55168508
   0.84033793  0.80120207  0.82675439
   0.66533968  0.81453730  0.49533749
   0.98239843  1.00333957  0.82366344
   1.00731634  0.82137317  0.67517313
   0.79010488  1.01076585  0.68800720
   0.74500014  0.62495921  0.96734238
   0.50309725  0.69258990  0.88860714
   0.75997363  0.79973700  0.63633853
   0.86740762  1.02253963  0.54900506
   1.08566094  0.31515545  0.21059531
   1.05972155  1.21871007  0.18984314
   0.30988017  0.16676688  0.67085555
   0.39711833  0.19621972  0.61129647
   0.37358131  1.31245644 -0.09338692
  -0.21445450  1.50909342  0.06477937
   0.69661633  0.41398831  0.83662337
   0.57603873  0.54729781  0.72169409
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844788    0.577189    0.111575
    -0.000000    9.775877    0.037267
    -0.000000    0.000000   13.737085
   Si   O    H 
    32    64    10
Direct configuration=  3775
   0.10600109  0.17657868  0.00502659
   0.37101655  0.11238924  0.38792538
   0.17089907  0.46026560  0.08540484
   0.37563004  0.35837377  0.25079785
   0.07695768  0.17481772  0.47985654
   0.35450089  0.09026790  0.87378155
   0.18426058  0.39176610  0.59066947
   0.36137843  0.38156598  0.75259052
   0.16185732  0.73507177 -0.01283905
   0.39752500  0.62348533  0.37120301
   0.11028097  0.93735685  0.14326118
   0.35368562  0.87412156  0.26281200
   0.14541048  0.62962033  0.48374855
   0.36912992  0.68693640  0.81999680
   0.07944257  0.87689867  0.58301137
   0.36771264  0.92046520  0.67292980
   0.62045676  0.11529638  0.97231350
   0.84031224  0.17738807  0.32965324
   0.58669482  0.40505967  0.09186227
   0.89788852  0.39926659  0.19173186
   0.62497706  0.20368925  0.48226750
   0.89613189  0.14794846  0.85815917
   0.61332895  0.45223522  0.63401789
   0.81787608  0.41108806  0.77840380
   0.58211216  0.66113348 -0.01406656
   0.91617603  0.58723286  0.35869058
   0.60267658  0.90594338  0.13310134
   0.86207627  0.87684987  0.25746930
   0.65553870  0.65249105  0.46823468
   0.86939623  0.66576461  0.89785810
   0.68031905  0.91732359  0.59439869
   0.90027939  0.90949814  0.74604234
   0.09769446  0.09617408  0.10307917
   0.34506188  0.20627129  0.28937887
   0.17193318  0.32346361  0.01314705
   0.34998233  0.47301374  0.33732477
   0.54070695  0.34943612  0.19860497
   0.28053800  0.40908842  0.16174708
   0.22265279  0.12117396  0.44181712
  -0.02210570  0.21923390  0.39009392
   0.00429853  0.03327439  0.54850021
   0.36868848  0.26620718  0.85107855
   0.05646332  0.28073383  0.56209036
   0.33671648  0.52642709  0.81675528
   0.49759843  0.35286114  0.69349695
   0.21733130  0.34653057  0.70562415
   0.21784791  0.08873286 -0.06104082
  -0.04026720  0.19007202  0.95712601
   0.23608087  0.59455145  0.04263195
   0.36611700  0.70683106  0.26023846
   0.18947321  0.84924370  0.06419965
   0.39586312  0.94494479  0.36299978
   0.45317654  0.94194160  0.18026915
   0.18844655  0.90843744  0.24254472
   0.28015240  0.68758019  0.43709159
   0.07484334  0.54337848  0.39791839
   0.29381527  0.40929620  0.51278345
   0.40084109  0.76979675  0.72046506
   0.05416226  0.77728028  0.49218369
   0.31590037  1.02690659  0.76537618
   0.51116018  0.94987309  0.62311089
   0.23143409  0.92955179  0.59879198
   0.23099755  0.76172454 -0.12370057
  -0.01367088  0.70429859  0.97217675
   0.65934968  0.03627894  0.07305696
   0.84841805  0.25133967  0.22773524
   0.59422056  0.27727778  0.01412789
   0.84840236  0.48898325  0.27852816
   0.01309286  0.49397477  0.12952301
   0.76162383  0.43830260  0.10836873
   0.70831379  0.25051067  0.38821020
   0.47512899  0.19062879  0.45247130
   0.71373586  0.05428972  0.52185746
   0.91346025  0.27055204  0.78429050
   0.64957569  0.31167997  0.56331500
   0.89902943  0.52709985  0.83763585
   1.13339319  0.56197197  0.58902859
   0.77745056  0.44950742  0.67138436
   0.73934148  0.12997945  0.89209196
   0.49624404  0.04046110  0.92400907
   0.51026368  0.53957566  0.04237854
   0.91090078  0.74098754  0.31314344
   0.57952071  0.79590849  0.05353219
   0.85118811  1.01366836  0.32036572
   0.95034441  0.90692736  0.15514346
   0.70844668  0.85509892  0.21693953
   0.81006476  0.57247692  0.45172618
   0.55611450  0.65373545  0.36988792
   0.56757432  0.57023603  0.55315035
   0.84090080  0.79961105  0.82607944
   0.66534590  0.81628550  0.49683482
   0.98336736  1.00550562  0.82487288
   1.00566071  0.82219524  0.67495709
   0.79238359  1.01118258  0.68821850
   0.74468606  0.62404334  0.96790883
   0.50331782  0.69295167  0.88893725
   0.77147217  0.79883611  0.63900877
   0.85240885  1.02809658  0.54221108
   1.07943574  0.31302902  0.21041310
   1.06521941  1.23289935  0.19622140
   0.32347247  0.17277474  0.66310426
   0.38446109  0.19591125  0.62211501
   0.36669574  1.31436110 -0.08029526
  -0.21387804  1.51162572  0.06291273
   0.69678404  0.41165408  0.84193329
   0.57246807  0.56082308  0.72211290
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844694    0.576911    0.110266
    -0.000000    9.775815    0.035881
    -0.000000    0.000000   13.735657
   Si   O    H 
    32    64    10
Direct configuration=  3776
   0.10557156  0.17636039  0.00479474
   0.37078302  0.11308810  0.38782633
   0.17106654  0.45907635  0.08495934
   0.37569333  0.35922602  0.25122449
   0.07741941  0.17601061  0.48014612
   0.35451353  0.09228237  0.87341669
   0.18410896  0.39086000  0.59195394
   0.36085788  0.38055777  0.75271791
   0.16205523  0.73427579 -0.01212854
   0.39709483  0.62339157  0.37113732
   0.11184916  0.93697791  0.14331027
   0.35217170  0.87196219  0.26338326
   0.14659319  0.63129206  0.48406335
   0.37179678  0.68700800  0.81947252
   0.08071161  0.87656509  0.58306294
   0.36762910  0.91957749  0.67299855
   0.62048366  0.11671896  0.97138476
   0.84120992  0.17778944  0.32991427
   0.58648102  0.40345350  0.09251971
   0.89694268  0.39987860  0.19123316
   0.62392640  0.20421303  0.48190053
   0.89721423  0.14840690  0.85861243
   0.61288494  0.45222192  0.63361480
   0.81935161  0.41135223  0.77888572
   0.58246233  0.65949532 -0.01349306
   0.91561589  0.58780039  0.35906672
   0.60135912  0.90680276  0.13233021
   0.86352078  0.87796815  0.25702458
   0.65582006  0.65110574  0.46850057
   0.86991806  0.66553525  0.89657460
   0.67950481  0.91713534  0.59440427
   0.89883602  0.91014917  0.74642990
   0.09806053  0.09553973  0.10383902
   0.34711911  0.20607694  0.28935309
   0.17201708  0.32300083  0.01302948
   0.34987329  0.47207222  0.33682419
   0.53976866  0.34709272  0.19869929
   0.28184982  0.40882981  0.16275834
   0.22293173  0.11898934  0.44282054
  -0.02324203  0.21757647  0.39009391
   0.00327158  0.02970314  0.55000007
   0.36814342  0.26687169  0.85163937
   0.05895357  0.28202162  0.56294018
   0.33411270  0.52501290  0.81698985
   0.49872842  0.35372821  0.69298765
   0.21605728  0.34795141  0.70637508
   0.21784130  0.09038149 -0.06095481
  -0.04040981  0.18940192  0.95815799
   0.23689889  0.59510347  0.04300068
   0.36623979  0.70701466  0.25945555
   0.18996877  0.84873179  0.06412229
   0.39609899  0.94639620  0.36318125
   0.45356734  0.93985505  0.18072460
   0.18764769  0.91103070  0.24387077
   0.27898447  0.68818773  0.43749933
   0.07512738  0.54233157  0.39851517
   0.29294077  0.41008334  0.51103858
   0.40013255  0.77057273  0.72090935
   0.05354451  0.77611342  0.49090645
   0.31404577  1.02805007  0.76490256
   0.51277351  0.94847435  0.62303654
   0.23138546  0.92998493  0.59849581
   0.22879248  0.76177394 -0.12382182
  -0.01357579  0.70730588  0.97168186
   0.65918096  0.03864622  0.07183119
   0.84922085  0.25053944  0.22752558
   0.59607996  0.27669838  0.01452931
   0.84657643  0.49094366  0.27882381
   0.01469604  0.49389724  0.12974163
   0.76265478  0.43932004  0.10935467
   0.70641638  0.25137120  0.38845411
   0.47426080  0.19030251  0.45311464
   0.71456734  0.05387548  0.52133982
   0.91485136  0.27227674  0.78433382
   0.64798517  0.31213017  0.56340744
   0.90022054  0.52610694  0.83699785
   1.13283345  0.56238245  0.58862288
   0.77888163  0.44954032  0.67200055
   0.73731958  0.13107227  0.89256451
   0.49499034  0.04043608  0.92370616
   0.50999358  0.53893132  0.04268657
   0.91078590  0.74071895  0.31452808
   0.57857937  0.79508149  0.05211094
   0.85140823  1.01413920  0.32062390
   0.94991324  0.90775613  0.15455547
   0.70933018  0.85451241  0.21635800
   0.80896798  0.57224681  0.45189703
   0.55619972  0.65426750  0.37079790
   0.56714912  0.56907919  0.55434860
   0.84154639  0.79832731  0.82545571
   0.66519782  0.81737673  0.49825901
   0.98385010  1.00657697  0.82593957
   1.00408501  0.82199036  0.67502626
   0.79433959  1.01156705  0.68887379
   0.74354688  0.62282430  0.96851372
   0.50314552  0.69365618  0.88895432
   0.77610983  0.79744869  0.64331408
   0.84222213  1.04073649  0.53404213
   1.07585014  0.30584200  0.20828766
   1.07222775  1.25251680  0.20477994
   0.34577673  0.17914497  0.65018890
   0.36207229  0.19062780  0.63773606
   0.36034204  1.31083408 -0.07504827
  -0.21086872  1.51348575  0.05989062
   0.69840389  0.41097522  0.84383759
   0.57485516  0.56955304  0.72094428
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.844537    0.576657    0.108997
    -0.000000    9.775806    0.034703
    -0.000000    0.000000   13.734061
   Si   O    H 
    32    64    10
Direct configuration=  3777
   0.10566844  0.17593229  0.00445744
   0.37016897  0.11325436  0.38781556
   0.17087948  0.45823222  0.08453513
   0.37605274  0.35981146  0.25162268
   0.07781844  0.17658666  0.48025968
   0.35412873  0.09393077  0.87280298
   0.18386715  0.39010824  0.59296897
   0.36041983  0.37979586  0.75295151
   0.16265868  0.73289350 -0.01195447
   0.39718471  0.62248908  0.37064393
   0.11352864  0.93668888  0.14346920
   0.35039187  0.87043617  0.26387801
   0.14787209  0.63271237  0.48385935
   0.37426266  0.68715717  0.81900499
   0.08159717  0.87660618  0.58267536
   0.36763654  0.91901753  0.67343522
   0.62043414  0.11803012  0.97042178
   0.84119711  0.17847928  0.33030452
   0.58682529  0.40214928  0.09292888
   0.89569127  0.40046809  0.19033939
   0.62396477  0.20527399  0.48176847
   0.89806410  0.14841608  0.85877327
   0.61301259  0.45258397  0.63326126
   0.82063955  0.41188184  0.77922453
   0.58232766  0.65843965 -0.01290150
   0.91457288  0.58830488  0.35951046
   0.60024541  0.90816519  0.13194314
   0.86490520  0.87895089  0.25630416
   0.65574134  0.65023627  0.46923582
   0.86969907  0.66533785  0.89532667
   0.67924357  0.91661887  0.59476962
   0.89787490  0.91087091  0.74688471
   0.09852865  0.09476348  0.10484317
   0.34871056  0.20613365  0.28940478
   0.17189848  0.32322764  0.01314747
   0.35013811  0.47143238  0.33641256
   0.53868957  0.34517685  0.19911174
   0.28375993  0.40872248  0.16403400
   0.22298705  0.11729660  0.44331704
  -0.02360522  0.21529915  0.38950991
   0.00149788  0.02606309  0.55099210
   0.36777328  0.26831743  0.85314391
   0.06197265  0.28387565  0.56396716
   0.33180593  0.52421334  0.81698225
   0.49973402  0.35437988  0.69286101
   0.21440996  0.34895253  0.70696098
   0.21792667  0.09179830 -0.06072622
  -0.04003152  0.18933213  0.95876881
   0.23809743  0.59570556  0.04292842
   0.36615956  0.70658010  0.25894787
   0.19140821  0.84874303  0.06307569
   0.39678245  0.94740118  0.36352601
   0.45415986  0.93874560  0.18107393
   0.18762356  0.91375064  0.24538561
   0.27812072  0.68852421  0.43800421
   0.07476203  0.54158707  0.39886449
   0.29295552  0.41050790  0.50952731
   0.40002309  0.77078819  0.72118466
   0.05305738  0.77473644  0.48947638
   0.31301703  1.02926848  0.76444765
   0.51354873  0.94772780  0.62290875
   0.23247569  0.93052552  0.59888149
   0.22712493  0.76230395 -0.12313387
  -0.01303786  0.71052331  0.97123416
   0.65879348  0.04014278  0.07097419
   0.85027548  0.24991412  0.22684987
   0.59804842  0.27626529  0.01482080
   0.84468878  0.49294859  0.27962025
   0.01603346  0.49354822  0.13058861
   0.76294174  0.43978373  0.10990466
   0.70481005  0.25193438  0.38839086
   0.47358274  0.19041775  0.45359955
   0.71558781  0.05407406  0.52088357
   0.91587206  0.27345906  0.78395810
   0.64641269  0.31241875  0.56315451
   0.90199352  0.52491342  0.83612820
   1.13210707  0.56251079  0.58818591
   0.78015599  0.45042784  0.67215012
   0.73577468  0.13248532  0.89272908
   0.49406671  0.04076856  0.92358046
   0.50982118  0.53776845  0.04334661
   0.91059348  0.74066172  0.31593805
   0.57870220  0.79419742  0.05043402
   0.85029078  1.01434084  0.32159822
   0.94940976  0.90842138  0.15420503
   0.70991965  0.85415312  0.21545198
   0.80658457  0.57149817  0.45161229
   0.55727467  0.65503199  0.37189292
   0.56724335  0.56765391  0.55535429
   0.84126192  0.79714921  0.82435211
   0.66550022  0.81815319  0.49907304
   0.98368362  1.00760797  0.82715176
   1.00238456  0.82146460  0.67585766
   0.79594710  1.01245635  0.68973707
   0.74243839  0.62249558  0.96879614
   0.50290365  0.69487689  0.88804114
   0.77423520  0.79704826  0.64523115
   0.82575066  1.05978690  0.52534072
   1.07614419  0.33813819  0.20738208
   1.07733803  1.23437967  0.20823509
   0.34051112  0.17006514  0.65883460
   0.36266596  0.20229471  0.63465059
   0.35282120  1.30459336 -0.07612023
  -0.20828918  1.51549001  0.05811072
   0.69549705  0.40999287  0.84396136
   0.57985327  0.57252759  0.71790778
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843861    0.575975    0.107955
    -0.000000    9.776253    0.034057
    -0.000000    0.000000   13.732708
   Si   O    H 
    32    64    10
Direct configuration=  3778
   0.10638301  0.17534349  0.00375986
   0.36909903  0.11365275  0.38748872
   0.17058360  0.45692947  0.08347070
   0.37610015  0.36053661  0.25198380
   0.07809164  0.17609653  0.48031798
   0.35312465  0.09492065  0.87186810
   0.18377256  0.39025138  0.59357475
   0.35979964  0.37971035  0.75305375
   0.16285089  0.73119541 -0.01184456
   0.39738198  0.62134735  0.37030073
   0.11468150  0.93712132  0.14385340
   0.34855056  0.86888488  0.26429308
   0.14814666  0.63380421  0.48386465
   0.37624770  0.68722549  0.81894504
   0.08178481  0.87708635  0.58161268
   0.36717294  0.91841492  0.67358694
   0.62056012  0.11883995  0.97015349
   0.84116717  0.17942111  0.33059370
   0.58681819  0.39983136  0.09378295
   0.89484786  0.40111383  0.18939907
   0.62451288  0.20553737  0.48173129
   0.89876845  0.14761822  0.85864439
   0.61327592  0.45286498  0.63393567
   0.82205343  0.41276118  0.77925128
   0.58169112  0.65724045 -0.01269881
   0.91421153  0.58852572  0.35975582
   0.59920458  0.90914490  0.13158605
   0.86562569  0.87971413  0.25550511
   0.65552678  0.64963902  0.47015627
   0.86922664  0.66500296  0.89421837
   0.67964835  0.91611597  0.59549449
   0.89683470  0.91190948  0.74761180
   0.09905949  0.09502372  0.10537687
   0.34993136  0.20622962  0.28937040
   0.17150768  0.32340484  0.01235434
   0.35100462  0.47155401  0.33621294
   0.53748060  0.34338514  0.19992207
   0.28541141  0.40929602  0.16503321
   0.22276876  0.11613658  0.44342791
  -0.02375554  0.21295855  0.38970500
   0.00005168  0.02344184  0.55197140
   0.36707812  0.26992243  0.85477845
   0.06461391  0.28539391  0.56529670
   0.32973945  0.52412753  0.81645433
   0.50001242  0.35483875  0.69228297
   0.21276664  0.34978510  0.70740706
   0.21783693  0.09305161 -0.06005770
  -0.03910050  0.18910201  0.95995896
   0.23867522  0.59606253  0.04298357
   0.36664399  0.70563989  0.25885631
   0.19366440  0.84938379  0.06236982
   0.39784942  0.94835865  0.36375546
   0.45453736  0.93780340  0.18163032
   0.18849697  0.91724846  0.24673364
   0.27775610  0.68837283  0.43812451
   0.07322483  0.54166422  0.39909931
   0.29308075  0.41089111  0.50827184
   0.40005762  0.77091289  0.72099996
   0.05265944  0.77357343  0.48826407
   0.31296687  1.03048043  0.76489995
   0.51379986  0.94752053  0.62362898
   0.23379057  0.93135319  0.59944257
   0.22569930  0.76338099 -0.12217699
  -0.01172459  0.71403872  0.97084689
   0.65891549  0.04186225  0.07041294
   0.85129842  0.24880780  0.22581490
   0.59943306  0.27582133  0.01505212
   0.84287916  0.49498017  0.28123199
   0.01736265  0.49344968  0.13134345
   0.76268708  0.44124971  0.10996037
   0.70376360  0.25182564  0.38829090
   0.47262486  0.19012986  0.45330399
   0.71667573  0.05552897  0.51987013
   0.91782285  0.27416785  0.78385686
   0.64417456  0.31286432  0.56254882
   0.90448747  0.52441513  0.83580202
   1.13115357  0.56215853  0.58805085
   0.78150799  0.45087494  0.67192459
   0.73481011  0.13379588  0.89226774
   0.49336025  0.04126801  0.92362094
   0.50993820  0.53693244  0.04407901
   0.90958063  0.74099037  0.31752083
   0.57939907  0.79354272  0.04915342
   0.84891240  1.01459634  0.32259005
   0.94949741  0.90914151  0.15362006
   0.70999371  0.85411068  0.21508738
   0.80440757  0.57133697  0.45134759
   0.55752841  0.65484364  0.37400516
   0.56738160  0.56731293  0.55593672
   0.84010615  0.79702738  0.82273495
   0.66550927  0.81864778  0.49908734
   0.98307643  1.00869634  0.82781954
   1.00107535  0.82088852  0.67630917
   0.79697879  1.01446536  0.69093424
   0.74170829  0.62306019  0.96894105
   0.50263079  0.69596610  0.88686036
   0.76412570  0.79517190  0.64380080
   0.80520129  1.07550529  0.51834748
   1.07585198  0.35238571  0.20769723
   1.08131293  1.23179936  0.20508550
   0.31496642  0.13489524  0.69212268
   0.38239749  0.23670842  0.60758813
   0.34633163  1.30383568 -0.08071319
  -0.20889186  1.51462371  0.06130267
   0.69228249  0.40862374  0.84217698
   0.58837003  0.57004797  0.71282988
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.843243    0.574969    0.106865
    -0.000000    9.776958    0.033228
    -0.000000    0.000000   13.731248
   Si   O    H 
    32    64    10
Direct configuration=  3779
   0.10719732  0.17517220  0.00344466
   0.36833035  0.11417007  0.38706065
   0.17015059  0.45577603  0.08245977
   0.37694293  0.36103434  0.25218574
   0.07785978  0.17582260  0.48002804
   0.35169936  0.09487970  0.87144715
   0.18360707  0.39063245  0.59393747
   0.36004477  0.37977709  0.75295171
   0.16225646  0.73019894 -0.01230198
   0.39676475  0.62017090  0.36995995
   0.11475386  0.93784503  0.14405524
   0.34734704  0.86710835  0.26513731
   0.14793836  0.63435185  0.48351570
   0.37719634  0.68745433  0.81877082
   0.08194900  0.87792506  0.58053599
   0.36649259  0.91772040  0.67321513
   0.62092835  0.11939063  0.97027057
   0.84071216  0.18078141  0.33135088
   0.58690103  0.39749670  0.09491740
   0.89453025  0.40209404  0.18857536
   0.62502335  0.20597410  0.48165748
   0.89959567  0.14726347  0.85826344
   0.61335947  0.45314877  0.63437589
   0.82282865  0.41388431  0.77947466
   0.58086425  0.65676273 -0.01271789
   0.91365895  0.58943816  0.36036300
   0.59876787  0.91026867  0.13103341
   0.86564847  0.88049372  0.25481197
   0.65558963  0.64914853  0.47100450
   0.86838321  0.66495514  0.89351398
   0.67972868  0.91597022  0.59659433
   0.89657791  0.91251596  0.74797460
   0.09849952  0.09514664  0.10574753
   0.35094093  0.20637463  0.28900375
   0.17051777  0.32337675  0.01158011
   0.35160750  0.47191631  0.33639107
   0.53534692  0.34114526  0.20017795
   0.28614674  0.40971594  0.16571830
   0.22237003  0.11500540  0.44323668
  -0.02372179  0.21145183  0.39003546
  -0.00166226  0.02133791  0.55259727
   0.36636789  0.27037314  0.85579290
   0.06652177  0.28644851  0.56694651
   0.32827437  0.52518669  0.81595457
   0.49965996  0.35558192  0.69245373
   0.21119118  0.35086639  0.70836192
   0.21876958  0.09481974 -0.06071180
  -0.03834846  0.18835182  0.96063549
   0.23873308  0.59654634  0.04240504
   0.36711936  0.70459543  0.25903914
   0.19545967  0.85023131  0.06179137
   0.39877481  0.95010605  0.36392075
   0.45417843  0.93726488  0.18164782
   0.18926367  0.92074410  0.24832923
   0.27792116  0.68818560  0.43847902
   0.07158678  0.54154901  0.39875306
   0.29270315  0.41117041  0.50722325
   0.40058061  0.77109934  0.72037361
   0.05208661  0.77258114  0.48732034
   0.31290045  1.03204934  0.76547360
   0.51420375  0.94692477  0.62427630
   0.23595793  0.93143214  0.59985159
   0.22444716  0.76414681 -0.12103119
  -0.01017744  0.71703105  0.97109428
   0.65925302  0.04340660  0.06955901
   0.85279456  0.24748569  0.22478152
   0.60047781  0.27527631  0.01518403
   0.84094911  0.49686516  0.28229853
   0.01884475  0.49372971  0.13176711
   0.76272630  0.44313455  0.10956520
   0.70359673  0.25126741  0.38790611
   0.47160868  0.18958703  0.45244593
   0.71661295  0.05684167  0.51877749
   0.91956107  0.27437628  0.78422638
   0.64248570  0.31330504  0.56245533
   0.90637972  0.52411547  0.83552615
   1.13009912  0.56235288  0.58789563
   0.78367397  0.45077847  0.67202072
   0.73521621  0.13479685  0.89114928
   0.49198535  0.04187248  0.92328704
   0.51159960  0.53577710  0.04479987
   0.90840523  0.74119760  0.31846855
   0.58029841  0.79274192  0.04807756
   0.84821126  1.01504105  0.32332134
   0.94940001  0.90830466  0.15338332
   0.70932865  0.85366416  0.21431406
   0.80193109  0.57045143  0.45152489
   0.55822077  0.65406240  0.37595698
   0.56725216  0.56682639  0.55620282
   0.83849716  0.79654378  0.82144105
   0.66560197  0.81874140  0.49912158
   0.98227202  1.00956256  0.82837488
   1.00077363  0.81998186  0.67627951
   0.79663234  1.01709728  0.69207062
   0.74044386  0.62330022  0.96901636
   0.50286372  0.69707388  0.88574477
   0.75238320  0.79154281  0.64224175
   0.80827208  1.09169462  0.51431865
   1.07639567  0.35073668  0.21151632
   1.08625907  1.24042676  0.19925652
   0.29255038  0.10919408  0.71984212
   0.39624227  0.26517378  0.58555624
   0.34237042  1.30840683 -0.08107209
  -0.20413745  1.50890945  0.06522491
   0.69676449  0.40547356  0.83912483
   0.59533036  0.56754938  0.70991877
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842282    0.574370    0.105871
    -0.000000    9.777698    0.032249
    -0.000000    0.000000   13.729527
   Si   O    H 
    32    64    10
Direct configuration=  3780
   0.10797163  0.17537877  0.00318942
   0.36708085  0.11467380  0.38638469
   0.16999686  0.45513955  0.08189995
   0.37804043  0.36132487  0.25247953
   0.07727627  0.17489988  0.47956163
   0.35041828  0.09465136  0.87137695
   0.18427164  0.39153719  0.59391621
   0.36044060  0.37979564  0.75330959
   0.16121903  0.72837060 -0.01305526
   0.39586424  0.61953347  0.36926207
   0.11456328  0.93812766  0.14437634
   0.34655757  0.86598681  0.26557060
   0.14726295  0.63443386  0.48335978
   0.37695862  0.68705916  0.81880140
   0.08228439  0.87898163  0.57943089
   0.36624631  0.91702083  0.67231263
   0.62107509  0.11944107  0.97035941
   0.84025015  0.18211490  0.33221756
   0.58725415  0.39555202  0.09597973
   0.89480577  0.40292404  0.18772151
   0.62524646  0.20671210  0.48140402
   0.89985064  0.14687644  0.85776925
   0.61390162  0.45321592  0.63487819
   0.82293007  0.41457636  0.77954495
   0.58044729  0.65708069 -0.01248230
   0.91336546  0.59011847  0.36097751
   0.59940110  0.91104365  0.13044850
   0.86532053  0.88186200  0.25354095
   0.65521915  0.64877781  0.47233775
   0.86796484  0.66434644  0.89332147
   0.67919043  0.91557464  0.59782958
   0.89670016  0.91271108  0.74835089
   0.09892724  0.09535181  0.10635930
   0.35176320  0.20724509  0.28853076
   0.17040575  0.32447772  0.01067870
   0.35238318  0.47145890  0.33658258
   0.53344757  0.33924394  0.20070532
   0.28708040  0.41002996  0.16548833
   0.22260910  0.11426977  0.44329713
  -0.02321133  0.21057992  0.39042244
  -0.00269896  0.02037390  0.55234483
   0.36583453  0.27086251  0.85576929
   0.06745339  0.28748985  0.56854065
   0.32664522  0.52587258  0.81603548
   0.49776896  0.35647020  0.69334528
   0.20986346  0.35177831  0.70966659
   0.21959406  0.09613132 -0.06159574
  -0.03710568  0.18796434  0.96136794
   0.23901489  0.59654457  0.04172184
   0.36648085  0.70339504  0.26012268
   0.19796677  0.85068333  0.06129825
   0.40016582  0.95156716  0.36450159
   0.45423821  0.93660435  0.18152486
   0.18930793  0.92367029  0.24993024
   0.27869878  0.68862973  0.43909454
   0.06933255  0.54199775  0.39815638
   0.29240724  0.41005357  0.50657988
   0.40125754  0.77045313  0.71961397
   0.05163376  0.77271225  0.48633885
   0.31286775  1.03390207  0.76615666
   0.51403337  0.94669557  0.62458602
   0.23781905  0.93093609  0.60064244
   0.22415068  0.76460309 -0.12046850
  -0.00757077  0.71965234  0.97165663
   0.65939011  0.04511760  0.06889806
   0.85448145  0.24637678  0.22300958
   0.60103518  0.27564636  0.01537120
   0.83971475  0.49879992  0.28312966
   0.01984425  0.49353737  0.13183125
   0.76225753  0.44438255  0.10958009
   0.70297764  0.24911051  0.38731856
   0.47102443  0.18861456  0.45188136
   0.71620122  0.05811928  0.51764994
   0.92152055  0.27456558  0.78457075
   0.64103862  0.31380073  0.56293713
   0.90812316  0.52428698  0.83527610
   1.12924920  0.56259568  0.58815884
   0.78545955  0.44988664  0.67242574
   0.73640779  0.13638306  0.88991462
   0.49016726  0.04302536  0.92246975
   0.51358761  0.53403353  0.04595259
   0.90691470  0.74210518  0.31961582
   0.58082442  0.79276273  0.04732041
   0.84714952  1.01526415  0.32320248
   0.94952284  0.90684829  0.15325113
   0.70859876  0.85282730  0.21318401
   0.79900490  0.56941164  0.45134970
   0.55823284  0.65351926  0.37796554
   0.56710002  0.56689513  0.55613489
   0.83704083  0.79534334  0.81984413
   0.66591480  0.81800429  0.49892451
   0.98112657  1.01057121  0.82876523
   1.00098822  0.81880888  0.67590888
   0.79652563  1.02024853  0.69322217
   0.73994739  0.62268920  0.96802591
   0.50279042  0.69920746  0.88485447
   0.74097843  0.78778245  0.64270196
   0.81438387  1.10135696  0.51348687
   1.07711057  0.33534253  0.21558772
   1.08362348  1.25836333  0.19866454
   0.26943550  0.09004798  0.74574753
   0.40544621  0.29507401  0.56486125
   0.34123740  1.31764549 -0.07967497
  -0.19752346  1.50828951  0.06399992
   0.69931151  0.40140401  0.83555148
   0.60019706  0.56204024  0.71016152
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.841029    0.573750    0.105483
    -0.000000    9.779206    0.031238
    -0.000000    0.000000   13.727852
   Si   O    H 
    32    64    10
Direct configuration=  3781
   0.10868252  0.17541630  0.00321137
   0.36518491  0.11417720  0.38554055
   0.17012408  0.45514387  0.08181573
   0.37892094  0.36108144  0.25251174
   0.07719154  0.17463125  0.47960043
   0.34929401  0.09449216  0.87151539
   0.18488183  0.39290051  0.59389148
   0.36048495  0.38009882  0.75402804
   0.16055387  0.72637942 -0.01316082
   0.39502369  0.61867135  0.36850145
   0.11444872  0.93837327  0.14489608
   0.34657568  0.86562001  0.26590034
   0.14637259  0.63441106  0.48347156
   0.37617386  0.68657455  0.81911597
   0.08231386  0.88001920  0.57791443
   0.36650750  0.91573681  0.67160039
   0.62132732  0.11984988  0.97053665
   0.83970983  0.18387244  0.33310807
   0.58789699  0.39293190  0.09688593
   0.89431137  0.40389139  0.18657832
   0.62544715  0.20751111  0.48149521
   0.89964650  0.14664060  0.85714587
   0.61512377  0.45340249  0.63556967
   0.82275214  0.41444149  0.77968926
   0.57993598  0.65729314 -0.01238943
   0.91306626  0.59068880  0.36176851
   0.60042148  0.91236088  0.12975777
   0.86459912  0.88347618  0.25266825
   0.65475838  0.64860148  0.47338618
   0.86802330  0.66443773  0.89322065
   0.67824862  0.91542504  0.59898951
   0.89673446  0.91290043  0.74813027
   0.09935087  0.09548341  0.10651596
   0.35220128  0.20865966  0.28839880
   0.16962441  0.32513330  0.00947998
   0.35234874  0.47014694  0.33672611
   0.53274101  0.33758740  0.20207846
   0.28757807  0.41090868  0.16476853
   0.22333233  0.11340370  0.44380840
  -0.02255089  0.21015897  0.39077563
  -0.00328272  0.02032438  0.55225939
   0.36465327  0.27107387  0.85553409
   0.06843013  0.28805573  0.56954332
   0.32489764  0.52672349  0.81575783
   0.49616001  0.35765124  0.69388894
   0.20859521  0.35287388  0.71043122
   0.22045463  0.09714788 -0.06300120
  -0.03692256  0.18739597  0.96215990
   0.23874881  0.59603816  0.04104910
   0.36627800  0.70230934  0.26098259
   0.20057094  0.85169573  0.06106197
   0.40173375  0.95289544  0.36440512
   0.45380279  0.93610960  0.18153859
   0.18953473  0.92703271  0.25122063
   0.28075115  0.68900221  0.43914720
   0.06738645  0.54263211  0.39739481
   0.29370864  0.40796457  0.50674728
   0.40125922  0.77015629  0.71838422
   0.05119408  0.77342837  0.48579369
   0.31719091  1.03074553  0.76818250
   0.51305322  0.94679345  0.62508868
   0.24004260  0.93032583  0.60120754
   0.22447222  0.76454895 -0.12010228
  -0.00622552  0.72172561  0.97196102
   0.65953761  0.04741465  0.06897331
   0.85595391  0.24427297  0.22085297
   0.60150904  0.27546533  0.01503494
   0.83957825  0.50060539  0.28410205
   0.02089077  0.49414279  0.13249349
   0.76174866  0.44583541  0.10964434
   0.70291714  0.24743360  0.38600142
   0.47045245  0.18770418  0.45178050
   0.71537940  0.05994925  0.51615642
   0.92343793  0.27436133  0.78496162
   0.63976827  0.31359786  0.56340647
   0.91031916  0.52492574  0.83505918
   1.12901783  0.56274076  0.58834519
   0.78739787  0.44937324  0.67262165
   0.73783744  0.13825503  0.88867319
   0.48865499  0.04413084  0.92143001
   0.51474385  0.53234688  0.04734433
   0.90618527  0.74327841  0.32068041
   0.58086405  0.79280839  0.04642032
   0.84636239  1.01607096  0.32286067
   0.94962871  0.90568984  0.15292462
   0.70789962  0.85181860  0.21198747
   0.79718582  0.56777856  0.45173487
   0.55733976  0.65402669  0.37934974
   0.56750248  0.56743170  0.55573088
   0.83566619  0.79421730  0.81853815
   0.66570541  0.81689803  0.49828145
   0.98020285  1.01065210  0.82918675
   1.00096736  0.81776411  0.67577145
   0.79618667  1.02164934  0.69443844
   0.74035899  0.62203322  0.96772034
   0.50302839  0.70086600  0.88357719
   0.73390496  0.78522980  0.64719952
   0.81338225  1.09983125  0.51803476
   1.08154043  0.32154267  0.21947252
   1.08141342  1.27581316  0.19851687
   0.18116212  0.14973019  0.73797907
   0.40320346  0.32956356  0.54131940
   0.33900025  1.32271097 -0.07983225
  -0.19581143  1.51006994  0.05914156
   0.70461737  0.39496186  0.83467073
   0.60214100  0.55971461  0.71476238
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.839711    0.572436    0.105099
    -0.000000    9.780829    0.030170
    -0.000000    0.000000   13.726046
   Si   O    H 
    32    64    10
Direct configuration=  3782
   0.10983170  0.17494171  0.00318129
   0.36385695  0.11348727  0.38434832
   0.17073053  0.45482799  0.08158738
   0.37997449  0.36113263  0.25193293
   0.07736212  0.17402937  0.47922878
   0.34838359  0.09464820  0.87130401
   0.18543198  0.39417913  0.59431102
   0.36090039  0.38113434  0.75482587
   0.16038971  0.72523559 -0.01292559
   0.39412782  0.61777223  0.36811897
   0.11433912  0.93921422  0.14524994
   0.34680862  0.86560804  0.26619529
   0.14527802  0.63404910  0.48363713
   0.37516696  0.68672558  0.81919478
   0.08217638  0.88081598  0.57647646
   0.36711624  0.91518668  0.67100388
   0.62085496  0.12044667  0.97077949
   0.83876578  0.18573204  0.33417821
   0.58785548  0.39018731  0.09785262
   0.89353302  0.40459348  0.18585421
   0.62530223  0.20774232  0.48161118
   0.89903048  0.14695711  0.85647041
   0.61622177  0.45329380  0.63609020
   0.82279084  0.41380617  0.77917880
   0.57913723  0.65754719 -0.01225891
   0.91288448  0.59116898  0.36292939
   0.60125178  0.91385812  0.12914420
   0.86305525  0.88461831  0.25160166
   0.65371473  0.64788023  0.47455414
   0.86874722  0.66499794  0.89356754
   0.67728292  0.91538621  0.59998699
   0.89667034  0.91321486  0.74791997
   0.10062243  0.09538965  0.10699162
   0.35280270  0.20968652  0.28852086
   0.16889210  0.32567786  0.00865445
   0.35334819  0.46868698  0.33674764
   0.53217892  0.33704373  0.20296635
   0.28742162  0.41123658  0.16398286
   0.22418436  0.11335518  0.44464479
  -0.02184324  0.20974349  0.39152875
  -0.00338658  0.02215516  0.55138646
   0.36309465  0.27165079  0.85536097
   0.06908317  0.28820497  0.57018039
   0.32290131  0.52682043  0.81539785
   0.49442538  0.35810611  0.69465836
   0.20844360  0.35342875  0.71157170
   0.22083847  0.09850203 -0.06424010
  -0.03691081  0.18791048  0.96254950
   0.23780373  0.59508410  0.04033988
   0.36673260  0.70143032  0.26170826
   0.20299908  0.85329435  0.06087770
   0.40275264  0.95406606  0.36416119
   0.45318281  0.93472037  0.18147297
   0.18933513  0.92962692  0.25252709
   0.28358877  0.68964222  0.43916493
   0.06574281  0.54294495  0.39653178
   0.29599517  0.40519835  0.50739593
   0.40147690  0.76959227  0.71727124
   0.05095122  0.77485343  0.48655846
   0.32101675  1.02659050  0.76900467
   0.51257258  0.94770930  0.62548574
   0.24139775  0.92970603  0.60221227
   0.22520339  0.76357237 -0.11964347
  -0.00522761  0.72408329  0.97222686
   0.65949520  0.04891979  0.06964775
   0.85780330  0.24259153  0.21797010
   0.60222183  0.27549793  0.01497035
   0.83996261  0.50165407  0.28448845
   0.02154515  0.49435607  0.13274467
   0.76183462  0.44740306  0.10976419
   0.70353043  0.24630762  0.38396785
   0.46978161  0.18660422  0.45158548
   0.71575644  0.06198388  0.51456139
   0.92583955  0.27351290  0.78535353
   0.63960583  0.31310678  0.56436403
   0.91341492  0.52616884  0.83515569
   1.12920581  0.56281188  0.58866068
   0.78800232  0.44920487  0.67211591
   0.73866268  0.13997142  0.88761634
   0.48805877  0.04535173  0.92041821
   0.51584699  0.53079429  0.04893462
   0.90527816  0.74417941  0.32133835
   0.58018354  0.79419517  0.04565941
   0.84519017  1.01687794  0.32283698
   0.94937341  0.90439884  0.15259868
   0.70625971  0.85120172  0.21060953
   0.79544266  0.56671753  0.45198739
   0.55543212  0.65390489  0.38006753
   0.56737394  0.56764664  0.55467156
   0.83467764  0.79272333  0.81745788
   0.66525775  0.81563573  0.49747194
   0.98000234  1.01050200  0.82848512
   1.00079646  0.81784212  0.67533257
   0.79544516  1.02275381  0.69510762
   0.74043711  0.62149742  0.96773310
   0.50421265  0.70216679  0.88239258
   0.72627636  0.78287061  0.65233911
   0.80932607  1.09054271  0.52413241
   1.08486432  0.33750048  0.23491353
   1.07785769  1.25768330  0.18210367
   0.10246460  0.20350242  0.73205717
   0.38641368  0.36627467  0.51528795
   0.33858056  1.32508882 -0.08235160
  -0.19536736  1.51209383  0.05486168
   0.70557404  0.38687498  0.83771932
   0.60071178  0.55446596  0.72309798
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.838467    0.570238    0.104936
    -0.000000    9.782484    0.029376
    -0.000000    0.000000   13.724330
   Si   O    H 
    32    64    10
Direct configuration=  3783
   0.11092241  0.17438745  0.00346612
   0.36289304  0.11240207  0.38325332
   0.17124577  0.45399035  0.08153003
   0.38070975  0.36057659  0.25124935
   0.07770394  0.17338555  0.47918666
   0.34762547  0.09502128  0.87147914
   0.18529884  0.39617604  0.59490862
   0.36105065  0.38231891  0.75548397
   0.15995496  0.72419089 -0.01229325
   0.39384348  0.61703431  0.36756440
   0.11427492  0.93984456  0.14532064
   0.34745447  0.86571055  0.26608500
   0.14392558  0.63421940  0.48393159
   0.37375254  0.68677535  0.81921703
   0.08172718  0.88160924  0.57539651
   0.36757898  0.91516694  0.67059289
   0.61997555  0.12116050  0.97101847
   0.83755754  0.18692427  0.33539359
   0.58724059  0.38721029  0.09885731
   0.89315336  0.40574369  0.18570248
   0.62455086  0.20765963  0.48163000
   0.89770094  0.14791948  0.85594453
   0.61799879  0.45243231  0.63689805
   0.82274639  0.41293279  0.77868436
   0.57846204  0.65812751 -0.01230909
   0.91250144  0.59161693  0.36393960
   0.60252754  0.91537247  0.12855667
   0.86128062  0.88515736  0.25054839
   0.65301909  0.64738648  0.47508104
   0.86959166  0.66529270  0.89403253
   0.67613415  0.91535471  0.60103512
   0.89633311  0.91320822  0.74767577
   0.10181523  0.09591250  0.10682447
   0.35253748  0.21028357  0.28921574
   0.16871779  0.32675880  0.00791784
   0.35398640  0.46680223  0.33716451
   0.53135119  0.33800293  0.20339213
   0.28745288  0.41186779  0.16259523
   0.22435608  0.11413513  0.44488680
  -0.02155194  0.20966943  0.39202449
  -0.00286372  0.02373708  0.55022582
   0.36142694  0.27246835  0.85514974
   0.06934102  0.28729573  0.57046226
   0.32200037  0.52681835  0.81462719
   0.49334979  0.35839483  0.69531456
   0.20816401  0.35522877  0.71206739
   0.22129917  0.09987838 -0.06506685
  -0.03695691  0.18858788  0.96326114
   0.23634589  0.59405081  0.03942753
   0.36721704  0.70065993  0.26229201
   0.20446594  0.85468572  0.06104683
   0.40377194  0.95390078  0.36346645
   0.45263537  0.93303532  0.18144914
   0.18875695  0.93183851  0.25390766
   0.28636311  0.69024562  0.43925314
   0.06481060  0.54282991  0.39576098
   0.29794966  0.40145209  0.50806590
   0.40095489  0.76903796  0.71701431
   0.05141147  0.77602556  0.48783756
   0.32439841  1.02293318  0.76974782
   0.51298034  0.94847997  0.62608686
   0.24296368  0.92818998  0.60348988
   0.22660210  0.76281897 -0.11964574
  -0.00457694  0.72648234  0.97231130
   0.65970279  0.04917944  0.07066450
   0.85917012  0.24158476  0.21606068
   0.60274684  0.27539053  0.01532965
   0.84039313  0.50202395  0.28417426
   0.02148437  0.49351329  0.13262869
   0.76204460  0.44826681  0.10942049
   0.70367882  0.24677566  0.38136075
   0.46986468  0.18508255  0.45145832
   0.71599572  0.06377442  0.51346546
   0.92758204  0.27301019  0.78547852
   0.63904180  0.31281318  0.56481940
   0.91655272  0.52732774  0.83483482
   1.12956751  0.56251993  0.58880189
   0.78864776  0.44909594  0.67123224
   0.73922276  0.14032713  0.88639581
   0.48834069  0.04586407  0.91975266
   0.51727767  0.52927901  0.05013193
   0.90366759  0.74570897  0.32142690
   0.57873608  0.79682698  0.04508437
   0.84469016  1.01830931  0.32329956
   0.95035425  0.90292695  0.15249533
   0.70622567  0.85023811  0.20986128
   0.79395736  0.56676796  0.45255957
   0.55188731  0.65406759  0.38101935
   0.56667495  0.56739442  0.55357587
   0.83382498  0.79105738  0.81686941
   0.66579685  0.81447602  0.49687522
   0.98042780  1.01075931  0.82780043
   1.00149228  0.81845543  0.67447730
   0.79418907  1.02300647  0.69564576
   0.74033143  0.62099765  0.96692373
   0.50561199  0.70323428  0.88131837
   0.72244487  0.78137686  0.65883986
   0.81012692  1.07951385  0.52871809
   1.08316793  0.33862559  0.24147280
   1.07150652  1.25223879  0.17566233
   0.02945873  0.25134321  0.72649518
   0.37287633  0.39939485  0.49144709
   0.34037496  1.32438021 -0.08605195
  -0.20217216  1.51020669  0.05168023
   0.70763391  0.38009708  0.84288043
   0.59857274  0.55055097  0.72977233
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.837073    0.568132    0.104241
    -0.000000    9.783603    0.028254
    -0.000000    0.000000   13.722446
   Si   O    H 
    32    64    10
Direct configuration=  3784
   0.11221975  0.17380249  0.00382570
   0.36219115  0.11180169  0.38212882
   0.17126410  0.45361897  0.08169933
   0.38121645  0.35999638  0.25031518
   0.07769422  0.17275430  0.47950170
   0.34689310  0.09578855  0.87145229
   0.18453857  0.39839384  0.59525659
   0.36147879  0.38369623  0.75593098
   0.15993902  0.72361866 -0.01175095
   0.39362070  0.61652333  0.36675786
   0.11393241  0.93936543  0.14545638
   0.34815015  0.86693058  0.26613611
   0.14289296  0.63445257  0.48397825
   0.37162038  0.68688366  0.81908588
   0.08107027  0.88176917  0.57465456
   0.36892891  0.91528778  0.67074046
   0.61893849  0.12215607  0.97060616
   0.83632341  0.18788501  0.33612565
   0.58667291  0.38508326  0.09944163
   0.89251600  0.40682359  0.18596407
   0.62347141  0.20758176  0.48147241
   0.89629446  0.14906651  0.85547214
   0.61929293  0.45114939  0.63785770
   0.82269267  0.41242410  0.77879143
   0.57792562  0.65874870 -0.01266058
   0.91235119  0.59257958  0.36508727
   0.60356904  0.91721998  0.12797779
   0.85921365  0.88540656  0.25029886
   0.65180275  0.64686007  0.47534333
   0.87064564  0.66538315  0.89435896
   0.67489843  0.91537359  0.60219258
   0.89579380  0.91302549  0.74783409
   0.10261970  0.09687116  0.10666796
   0.35212387  0.21108712  0.29053409
   0.16927123  0.32750829  0.00735983
   0.35527465  0.46480417  0.33761013
   0.53145670  0.33883557  0.20352734
   0.28649581  0.41275693  0.16200005
   0.22318043  0.11472069  0.44514090
  -0.02097704  0.20995314  0.39263224
  -0.00263903  0.02577937  0.54907810
   0.36089100  0.27276968  0.85463013
   0.06938589  0.28687523  0.57069941
   0.32123235  0.52698126  0.81350765
   0.49172967  0.35908226  0.69575500
   0.20887850  0.35652661  0.71182846
   0.22141127  0.10120739 -0.06551712
  -0.03689857  0.18942110  0.96428758
   0.23470496  0.59247645  0.03828078
   0.36618829  0.69965090  0.26273000
   0.20485225  0.85508306  0.06133124
   0.40488384  0.95339723  0.36261349
   0.45175525  0.93192714  0.18183745
   0.18748084  0.93317859  0.25520498
   0.28831730  0.69026656  0.43974392
   0.06338867  0.54248178  0.39535186
   0.29695072  0.39785378  0.50939350
   0.39965357  0.76761726  0.71767068
   0.05336093  0.77722337  0.48922386
   0.32754479  1.01954581  0.77064137
   0.51293327  0.94884094  0.62656482
   0.24333066  0.92771928  0.60428308
   0.22878119  0.76177316 -0.11901033
  -0.00370088  0.72815234  0.97233763
   0.65964442  0.04840374  0.07209814
   0.86076431  0.24125526  0.21490549
   0.60222656  0.27574520  0.01550955
   0.84093758  0.50203427  0.28367863
   0.02064157  0.49303317  0.13248395
   0.76171115  0.44836336  0.10877744
   0.70399075  0.24782068  0.37957673
   0.47066086  0.18359218  0.45104720
   0.71558759  0.06512964  0.51266817
   0.93049292  0.27200499  0.78469052
   0.63855838  0.31258733  0.56490330
   0.91949809  0.52743220  0.83425744
   1.13000770  0.56290093  0.58923246
   0.78965535  0.44874018  0.66972159
   0.73950411  0.14039225  0.88546734
   0.48889216  0.04679219  0.91910113
   0.51843379  0.52765746  0.05118991
   0.90315081  0.74715429  0.32086600
   0.57763212  0.79986669  0.04477178
   0.84410647  1.02004327  0.32309882
   0.95265657  0.90107677  0.15330921
   0.70628673  0.84941806  0.20898958
   0.79319291  0.56705124  0.45338327
   0.54893568  0.65271036  0.38207610
   0.56525645  0.56660725  0.55248942
   0.83281588  0.78948396  0.81663357
   0.66588413  0.81477798  0.49653895
   0.98046267  1.01130099  0.82651869
   1.00218756  0.81881166  0.67354458
   0.79353213  1.02390485  0.69596081
   0.74038259  0.62057130  0.96610277
   0.50664518  0.70443740  0.88121840
   0.71997001  0.78538500  0.66629990
   0.81594703  1.06801091  0.53764219
   1.07498716  0.33304706  0.23915648
   1.06531921  1.24821054  0.17524543
  -0.04493566  0.29764845  0.72802074
   0.41255386  0.42874679  0.45876977
   0.33922693  1.32485714 -0.08686406
  -0.21266911  1.50381751  0.05140249
   0.70985659  0.37443193  0.84482941
   0.59481203  0.54572225  0.73105847
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.835626    0.565136    0.103083
    -0.000000    9.784279    0.026922
    -0.000000    0.000000   13.720671
   Si   O    H 
    32    64    10
Direct configuration=  3785
   0.11354887  0.17335276  0.00396039
   0.36131825  0.11115965  0.38132927
   0.17174439  0.45336035  0.08200241
   0.38115210  0.35933628  0.24927543
   0.07774844  0.17234448  0.48057049
   0.34665674  0.09660169  0.87089586
   0.18363008  0.40018665  0.59502977
   0.36152043  0.38510053  0.75652923
   0.15994454  0.72323852 -0.01121450
   0.39391317  0.61665176  0.36632625
   0.11368832  0.93861845  0.14565829
   0.34953577  0.86767909  0.26620644
   0.14197115  0.63441881  0.48417360
   0.36895613  0.68749762  0.81885165
   0.07934502  0.88245626  0.57432207
   0.37021848  0.91587399  0.67104313
   0.61788345  0.12310333  0.96994876
   0.83590420  0.18823663  0.33658256
   0.58650626  0.38353189  0.09994431
   0.89257590  0.40792335  0.18642102
   0.62228889  0.20733339  0.48105741
   0.89480717  0.14934874  0.85588590
   0.62060284  0.44982807  0.63847689
   0.82294214  0.41304886  0.77934734
   0.57788234  0.65931267 -0.01271624
   0.91118969  0.59378056  0.36621864
   0.60411010  0.91793373  0.12751782
   0.85762962  0.88537112  0.25016935
   0.65067716  0.64692949  0.47562218
   0.87255123  0.66619905  0.89496725
   0.67349697  0.91509314  0.60334277
   0.89570419  0.91215587  0.74823990
   0.10313459  0.09854615  0.10649374
   0.35215350  0.21223548  0.29149728
   0.17035885  0.32748679  0.00624287
   0.35662495  0.46371171  0.33772386
   0.53221807  0.34067485  0.20364273
   0.28565426  0.41362660  0.16154351
   0.22197691  0.11591027  0.44505977
  -0.02098097  0.21070628  0.39312271
  -0.00285020  0.02853164  0.54803884
   0.36123066  0.27292642  0.85441855
   0.06955917  0.28678127  0.57058914
   0.32063434  0.52763808  0.81260331
   0.48961528  0.35952937  0.69674035
   0.20989646  0.35784808  0.71196643
   0.22088114  0.10145244 -0.06573637
  -0.03720367  0.19012345  0.96463381
   0.23344964  0.59046297  0.03756154
   0.36438185  0.69955478  0.26350966
   0.20511119  0.85555172  0.06199479
   0.40577805  0.95334426  0.36144976
   0.45068453  0.93154201  0.18235826
   0.18683953  0.93443775  0.25598605
   0.28991342  0.68963213  0.44033382
   0.06254335  0.54253772  0.39541612
   0.29633142  0.39406831  0.51104503
   0.39856676  0.76544169  0.71863278
   0.05508757  0.77798750  0.49081656
   0.33062425  1.01658945  0.77038368
   0.51291561  0.94922475  0.62681824
   0.24391162  0.92719785  0.60410274
   0.23192762  0.76075185 -0.11849121
  -0.00349358  0.72991546  0.97232948
   0.66032065  0.04780782  0.07292812
   0.86192742  0.24113176  0.21356606
   0.60246736  0.27585338  0.01545518
   0.84203661  0.50107332  0.28350891
   0.01905555  0.49247153  0.13263380
   0.76143919  0.44786898  0.10840124
   0.70342801  0.24898701  0.37783649
   0.47143794  0.18128502  0.45034363
   0.71514828  0.06555959  0.51196575
   0.93278568  0.27112484  0.78537341
   0.63758670  0.31369610  0.56544511
   0.92176393  0.52709790  0.83298116
   1.13052697  0.56418316  0.58992574
   0.79064303  0.44915745  0.66843219
   0.74017972  0.14058119  0.88471599
   0.49010218  0.04777719  0.91904666
   0.52016245  0.52662313  0.05231237
   0.90263558  0.74917961  0.32066232
   0.57658050  0.80334778  0.04499122
   0.84271749  1.02181370  0.32328655
   0.95485489  0.89953739  0.15405113
   0.70645432  0.84896239  0.20825063
   0.79340908  0.56669763  0.45417793
   0.54606599  0.65092013  0.38289297
   0.56331155  0.56575802  0.55201295
   0.83208942  0.78786055  0.81709317
   0.66556642  0.81522846  0.49692183
   0.98022628  1.01191464  0.82473741
   1.00291150  0.81907000  0.67263755
   0.79277154  1.02556886  0.69628087
   0.74044204  0.61979647  0.96563112
   0.50764502  0.70571111  0.88161991
   0.72197042  0.79356514  0.67063987
   0.81831623  1.05803704  0.54536874
   1.06665727  0.32134995  0.23446661
   1.06077857  1.25460083  0.18045519
  -0.09565043  0.34228917  0.70229674
   0.44450781  0.45372678  0.43385019
   0.33524447  1.32800729 -0.08496494
  -0.22151640  1.50042169  0.05188535
   0.71200122  0.36966520  0.84411587
   0.59252377  0.54025809  0.72900139
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.833769    0.561984    0.102239
    -0.000000    9.784522    0.025227
    -0.000000    0.000000   13.719373
   Si   O    H 
    32    64    10
Direct configuration=  3786
   0.11396382  0.17316012  0.00406893
   0.36036579  0.11093180  0.38089355
   0.17192125  0.45346933  0.08210745
   0.38062109  0.35851593  0.24837046
   0.07716876  0.17229627  0.48182173
   0.34693804  0.09718368  0.87021355
   0.18287905  0.40181930  0.59503356
   0.36091375  0.38657753  0.75744146
   0.16005121  0.72331340 -0.01087771
   0.39384835  0.61712345  0.36563577
   0.11368822  0.93803215  0.14558153
   0.35171779  0.86909798  0.26648921
   0.14087935  0.63407383  0.48398974
   0.36664539  0.68790377  0.81908834
   0.07828689  0.88373239  0.57441359
   0.37139796  0.91691554  0.67191959
   0.61749511  0.12379735  0.96920703
   0.83595576  0.18797503  0.33640640
   0.58614798  0.38220985  0.10042361
   0.89241414  0.40856502  0.18692524
   0.62109689  0.20731048  0.48068931
   0.89374141  0.14950787  0.85597577
   0.62110569  0.44842026  0.63870189
   0.82362256  0.41413392  0.78028867
   0.57799740  0.66006791 -0.01266014
   0.90984969  0.59507743  0.36732490
   0.60438162  0.91808908  0.12734136
   0.85586145  0.88529688  0.25020552
   0.64963418  0.64733579  0.47593271
   0.87458972  0.66718978  0.89609627
   0.67248485  0.91437017  0.60450428
   0.89580791  0.91155436  0.74892974
   0.10371172  0.10078567  0.10635750
   0.35189579  0.21346934  0.29183927
   0.17153845  0.32792521  0.00559215
   0.35752943  0.46216143  0.33700948
   0.53311988  0.34283540  0.20389930
   0.28474003  0.41447249  0.16168660
   0.22154235  0.11687605  0.44474546
  -0.02130111  0.21079088  0.39291125
  -0.00345926  0.03112472  0.54654864
   0.36138185  0.27322521  0.85441291
   0.06921911  0.28679518  0.56990661
   0.32048336  0.52856218  0.81212942
   0.48827486  0.35972331  0.69738497
   0.21090067  0.35845021  0.71205382
   0.22008794  0.10083740 -0.06622939
  -0.03812855  0.19141542  0.96535162
   0.23197451  0.58905310  0.03685730
   0.36376730  0.69969337  0.26467921
   0.20474364  0.85530730  0.06267710
   0.40620720  0.95276115  0.36012791
   0.45017124  0.93186691  0.18296345
   0.18557504  0.93538342  0.25622261
   0.29039754  0.68918566  0.44143206
   0.06233676  0.54274118  0.39553389
   0.29576653  0.39119846  0.51251749
   0.39679545  0.76302234  0.71935447
   0.05667755  0.77896138  0.49217962
   0.33389049  1.01368737  0.76990043
   0.51373805  0.95046679  0.62695785
   0.24322250  0.92662153  0.60384770
   0.23445507  0.75874222 -0.11779596
  -0.00406564  0.73084739  0.97216619
   0.66183043  0.04784987  0.07389779
   0.86240812  0.24124239  0.21301652
   0.60237554  0.27528799  0.01519485
   0.84407195  0.50001596  0.28275219
   0.01758518  0.49169749  0.13263758
   0.76175232  0.44784727  0.10823042
   0.70188509  0.24997975  0.37640391
   0.47261883  0.17863126  0.44944605
   0.71536038  0.06596179  0.51192744
   0.93567836  0.27019659  0.78624492
   0.63666011  0.31446985  0.56599973
   0.92393686  0.52710829  0.83210405
   1.13101379  0.56473459  0.59050711
   0.79158489  0.45010527  0.66654181
   0.74072832  0.14102746  0.88394062
   0.49101162  0.04917290  0.91926108
   0.52226928  0.52501057  0.05355609
   0.90197214  0.75119803  0.32011862
   0.57509308  0.80685670  0.04464718
   0.84222227  1.02329647  0.32260498
   0.95716387  0.89756890  0.15467211
   0.70753154  0.84867239  0.20762796
   0.79444211  0.56647411  0.45509902
   0.54335373  0.64974583  0.38351047
   0.56170990  0.56410247  0.55246092
   0.83177452  0.78604977  0.81742271
   0.66567485  0.81538855  0.49772757
   0.97969575  1.01134191  0.82334958
   1.00404548  0.82036686  0.67183215
   0.79205658  1.02715548  0.69635493
   0.74100267  0.61875290  0.96551639
   0.50835956  0.70566492  0.88226427
   0.72213663  0.80118297  0.67426383
   0.81439522  1.05314791  0.54575962
   1.06097767  0.30357572  0.22330282
   1.06114890  1.26997390  0.19504313
  -0.13100367  0.37647544  0.67198368
   0.47582818  0.47515489  0.41839288
   0.33196672  1.32849321 -0.08448162
  -0.22729900  1.50481758  0.04791132
   0.71108908  0.36707067  0.83992938
   0.59210758  0.53395753  0.72604804
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831765    0.558541    0.101314
    -0.000000    9.784555    0.023852
    -0.000000    0.000000   13.718245
   Si   O    H 
    32    64    10
Direct configuration=  3787
   0.11398139  0.17282057  0.00430935
   0.35908177  0.11070480  0.38077102
   0.17238587  0.45386859  0.08269482
   0.38015178  0.35787976  0.24732049
   0.07656017  0.17212537  0.48325916
   0.34800897  0.09822752  0.86886129
   0.18204533  0.40287512  0.59480886
   0.36017066  0.38789883  0.75812756
   0.16040691  0.72432106 -0.01044209
   0.39348665  0.61713323  0.36496674
   0.11360611  0.93783922  0.14527851
   0.35376722  0.86990454  0.26684545
   0.13958485  0.63399615  0.48395298
   0.36418085  0.68814026  0.81901534
   0.07759452  0.88568664  0.57478725
   0.37298641  0.91731459  0.67297781
   0.61734105  0.12492273  0.96787297
   0.83648116  0.18714207  0.33561337
   0.58536841  0.38094281  0.10097829
   0.89271644  0.40928815  0.18755713
   0.62048349  0.20730966  0.48033285
   0.89272511  0.14970947  0.85641611
   0.62074199  0.44652857  0.63854417
   0.82482496  0.41497864  0.78134030
   0.57805506  0.66045779 -0.01223223
   0.90785037  0.59611050  0.36798864
   0.60449013  0.91790429  0.12660464
   0.85390913  0.88483299  0.25031686
   0.64829741  0.64842045  0.47620198
   0.87634406  0.66894515  0.89756386
   0.67183609  0.91398409  0.60522243
   0.89612519  0.91098716  0.74914247
   0.10510752  0.10237541  0.10604629
   0.35171318  0.21417377  0.29123121
   0.17181400  0.32838274  0.00504835
   0.35824398  0.46065828  0.33628620
   0.53407972  0.34487922  0.20480230
   0.28374712  0.41584729  0.16230546
   0.22196123  0.11832565  0.44448612
  -0.02093551  0.21045949  0.39236490
  -0.00388421  0.03310280  0.54473729
   0.36041205  0.27401763  0.85465092
   0.06894641  0.28732253  0.56999289
   0.32087554  0.52996914  0.81082882
   0.48732258  0.36019600  0.69777593
   0.21238751  0.35846439  0.71148070
   0.21917145  0.09909547 -0.06666836
  -0.03871549  0.19137641  0.96520366
   0.22986253  0.58802604  0.03601555
   0.36343832  0.69879995  0.26560008
   0.20439809  0.85461141  0.06277854
   0.40597616  0.95188738  0.35913266
   0.44921541  0.93230849  0.18356992
   0.18417536  0.93608605  0.25623848
   0.29099603  0.68819705  0.44214607
   0.06231539  0.54332752  0.39569126
   0.29605840  0.38863898  0.51408546
   0.39520469  0.76130337  0.71969067
   0.05817354  0.77977698  0.49316469
   0.33577656  1.01189655  0.76879691
   0.51455807  0.95214301  0.62719445
   0.24168177  0.92510707  0.60321826
   0.23636745  0.75618157 -0.11712489
  -0.00531171  0.73164241  0.97213695
   0.66378037  0.04749699  0.07462981
   0.86212560  0.24258120  0.21329955
   0.60164742  0.27449121  0.01427112
   0.84663820  0.49879366  0.28155409
   0.01548997  0.49137047  0.13270286
   0.76202565  0.44760574  0.10800145
   0.69936465  0.25085274  0.37591213
   0.47418929  0.17647506  0.44795729
   0.71622136  0.06549552  0.51262584
   0.93673543  0.26942164  0.78663904
   0.63667915  0.31559945  0.56675642
   0.92612618  0.52694095  0.83217029
   1.13188562  0.56516468  0.59093620
   0.79278179  0.45023758  0.66475627
   0.73996839  0.14120655  0.88414222
   0.49165792  0.05072108  0.91972862
   0.52422420  0.52442486  0.05444306
   0.90219763  0.75241457  0.31949307
   0.57370453  0.80950192  0.04453702
   0.84120465  1.02455559  0.32148639
   0.95840444  0.89571376  0.15546590
   0.70874612  0.84881899  0.20716356
   0.79503366  0.56591214  0.45618319
   0.54222912  0.64901310  0.38408528
   0.56102415  0.56198202  0.55318914
   0.83218553  0.78428012  0.81811670
   0.66638951  0.81460800  0.49864766
   0.97926760  1.01034215  0.82185403
   1.00499006  0.82184536  0.67096680
   0.79199875  1.02830546  0.69601022
   0.74231337  0.61800633  0.96507672
   0.50864989  0.70542650  0.88317455
   0.72014397  0.80801123  0.67683565
   0.80553475  1.05657418  0.54123552
   1.06051201  0.31426482  0.23717887
   1.06641892  1.25870989  0.18153039
  -0.15988068  0.40431126  0.63475965
   0.50184696  0.48745478  0.40464146
   0.32888294  1.32500679 -0.08425594
  -0.23189059  1.51214608  0.04349993
   0.71128231  0.36480189  0.83641766
   0.59454908  0.53404671  0.72197474
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.829730    0.555512    0.100158
    -0.000000    9.784769    0.022677
    -0.000000    0.000000   13.716814
   Si   O    H 
    32    64    10
Direct configuration=  3788
   0.11366296  0.17349983  0.00417477
   0.35789099  0.11073642  0.38072857
   0.17207409  0.45472319  0.08359497
   0.37897788  0.35766690  0.24554078
   0.07555178  0.17152175  0.48445055
   0.34902697  0.09909470  0.86763376
   0.18084309  0.40304544  0.59476196
   0.35961837  0.38888941  0.75875974
   0.16082281  0.72642476 -0.01017497
   0.39231336  0.61712985  0.36386829
   0.11368869  0.93800077  0.14496351
   0.35555775  0.87062671  0.26692340
   0.13875257  0.63365112  0.48390144
   0.36161855  0.68907617  0.81923661
   0.07716386  0.88801564  0.57576576
   0.37454157  0.91725739  0.67394701
   0.61813811  0.12548672  0.96681394
   0.83707547  0.18660050  0.33493190
   0.58523413  0.38010546  0.10115325
   0.89280766  0.40947272  0.18792267
   0.61955552  0.20762383  0.48008713
   0.89252413  0.14999053  0.85697751
   0.61997538  0.44498168  0.63819595
   0.82678802  0.41474033  0.78301230
   0.57797879  0.66111947 -0.01216373
   0.90597166  0.59763718  0.36797989
   0.60381049  0.91832495  0.12647617
   0.85273266  0.88469090  0.25078188
   0.64724908  0.64934277  0.47699306
   0.87853051  0.67028815  0.89943391
   0.67167632  0.91265952  0.60607756
   0.89627769  0.90962904  0.74912501
   0.10671690  0.10376104  0.10616639
   0.35204571  0.21484300  0.29047689
   0.17110360  0.32892175  0.00448882
   0.35971888  0.45891154  0.33601880
   0.53561643  0.34640907  0.20561455
   0.28287965  0.41728504  0.16281947
   0.22207142  0.11944821  0.44455458
  -0.02032804  0.21050433  0.39160595
  -0.00451885  0.03529748  0.54299396
   0.35994174  0.27523318  0.85459943
   0.06897303  0.28828331  0.56998702
   0.32076574  0.53131774  0.80938344
   0.48734094  0.36017334  0.69770847
   0.21261360  0.35918146  0.71039349
   0.21830339  0.09719259 -0.06684312
  -0.03851953  0.19141530  0.96529925
   0.22822176  0.58786035  0.03500463
   0.36291828  0.69765327  0.26601289
   0.20280643  0.85459151  0.06219398
   0.40566394  0.95157959  0.35833055
   0.44912744  0.93294448  0.18366593
   0.18314850  0.93593365  0.25621188
   0.29044243  0.68685883  0.44313134
   0.06227680  0.54438118  0.39603484
   0.29693817  0.38763118  0.51524476
   0.39419843  0.75929690  0.71953751
   0.05935683  0.78095469  0.49424984
   0.33852935  1.01102186  0.76752710
   0.51532777  0.95340803  0.62656110
   0.23969728  0.92325261  0.60223697
   0.23891922  0.75423092 -0.11675294
  -0.00722512  0.73163501  0.97201707
   0.66578669  0.04702171  0.07525014
   0.86134530  0.24434259  0.21375185
   0.60089282  0.27352261  0.01303479
   0.84897133  0.49768954  0.28073349
   0.01402504  0.49122232  0.13257909
   0.76208002  0.44769529  0.10800876
   0.69591951  0.25163051  0.37579619
   0.47481284  0.17494361  0.44670652
   0.71620897  0.06469841  0.51269377
   0.93715056  0.27014929  0.78719205
   0.63690894  0.31622570  0.56684198
   0.92813739  0.52685949  0.83211648
   1.13212309  0.56570524  0.59130654
   0.79149631  0.45219275  0.66499565
   0.73904633  0.14091871  0.88522986
   0.49230008  0.05326251  0.92005111
   0.52576756  0.52435499  0.05450877
   0.90234322  0.75277788  0.31908623
   0.57241723  0.81107892  0.04433425
   0.83936830  1.02410325  0.32035502
   0.95878997  0.89438798  0.15683786
   0.71006803  0.84839774  0.20672997
   0.79548467  0.56605452  0.45689246
   0.54158484  0.64869698  0.38421248
   0.56056691  0.55972535  0.55384279
   0.83240845  0.78359780  0.81903662
   0.66733172  0.81356379  0.49999463
   0.97947201  1.00850973  0.82056747
   1.00656074  0.82354389  0.67075555
   0.79140233  1.02815007  0.69578228
   0.74290374  0.61670879  0.96454490
   0.50813681  0.70613027  0.88341227
   0.71589059  0.81188713  0.67844175
   0.80400210  1.06009026  0.53548216
   1.06812341  0.31217900  0.24704183
   1.07431352  1.25828673  0.17705769
  -0.13360312  0.37546468  0.56256304
   0.52494509  0.49405644  0.39480168
   0.32383941  1.32016537 -0.08306488
  -0.23761676  1.51360433  0.04310341
   0.71073585  0.36282928  0.83650366
   0.60028608  0.54170109  0.72039524
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.828044    0.551977    0.099192
    -0.000000    9.784206    0.022202
    -0.000000    0.000000   13.715928
   Si   O    H 
    32    64    10
Direct configuration=  3789
   0.11306378  0.17445913  0.00377647
   0.35698489  0.11101803  0.38039571
   0.17159395  0.45599279  0.08494436
   0.37826832  0.35767361  0.24397395
   0.07530972  0.17042299  0.48575375
   0.34979627  0.09923452  0.86672789
   0.18010730  0.40295811  0.59474716
   0.35851235  0.39015507  0.75924793
   0.16142026  0.72842077 -0.00976012
   0.39110604  0.61707293  0.36259582
   0.11348507  0.93824565  0.14438133
   0.35702681  0.87084962  0.26705293
   0.13809651  0.63381717  0.48335995
   0.35862700  0.68970460  0.82009667
   0.07673381  0.89022391  0.57709970
   0.37515307  0.91644345  0.67497181
   0.61865991  0.12536696  0.96590246
   0.83744515  0.18607113  0.33409615
   0.58514153  0.37945154  0.10106061
   0.89288120  0.40923782  0.18789296
   0.61917799  0.20776128  0.48014972
   0.89245967  0.15079285  0.85726530
   0.61874106  0.44373553  0.63786699
   0.82953451  0.41490557  0.78479523
   0.57759396  0.66116736 -0.01199196
   0.90433548  0.59836851  0.36755077
   0.60241280  0.91864011  0.12657091
   0.85198539  0.88420863  0.25118535
   0.64575391  0.64994259  0.47804250
   0.88039957  0.67147076  0.90120188
   0.67158544  0.91151914  0.60729558
   0.89600493  0.90860968  0.74917812
   0.10804791  0.10431673  0.10729988
   0.35213926  0.21511744  0.28967518
   0.16990252  0.33005456  0.00421770
   0.36024896  0.45827337  0.33657403
   0.53701157  0.34887367  0.20633415
   0.28176863  0.41878315  0.16349291
   0.22232375  0.12050430  0.44565158
  -0.02033960  0.21095511  0.39093707
  -0.00466074  0.03755431  0.54096714
   0.35925291  0.27625242  0.85417033
   0.06879590  0.28921830  0.56974224
   0.32161772  0.53274348  0.80837002
   0.48758981  0.35978249  0.69740796
   0.21327557  0.35982357  0.70937969
   0.21685750  0.09561407 -0.06721245
  -0.03806523  0.19158643  0.96528124
   0.22668994  0.58830327  0.03391396
   0.36205670  0.69743039  0.26593324
   0.20160284  0.85364085  0.06151814
   0.40542194  0.95137183  0.35807354
   0.44987485  0.93268969  0.18348444
   0.18378351  0.93591826  0.25590164
   0.29005334  0.68553640  0.44425607
   0.06183732  0.54565223  0.39699615
   0.29703907  0.38656535  0.51601991
   0.39341923  0.75869634  0.71881018
   0.06087004  0.78176304  0.49486140
   0.34149967  1.01076354  0.76686008
   0.51551776  0.95514364  0.62584527
   0.23826578  0.92073048  0.60124236
   0.24019812  0.75255058 -0.11624570
  -0.00926390  0.73168938  0.97192749
   0.66717650  0.04709678  0.07489695
   0.86160523  0.24702420  0.21435786
   0.60025819  0.27283061  0.01179638
   0.85142180  0.49774077  0.28005172
   0.01220841  0.49136748  0.13219396
   0.76156789  0.44772667  0.10778358
   0.69264871  0.25301854  0.37590716
   0.47491678  0.17318461  0.44526158
   0.71508382  0.06352383  0.51278238
   0.93709344  0.27120746  0.78743551
   0.63686644  0.31595904  0.56666614
   0.93053900  0.52727764  0.83209251
   1.13112839  0.56694908  0.59158097
   0.79112346  0.45461266  0.66497240
   0.73781628  0.14126070  0.88583627
   0.49306813  0.05549486  0.92009832
   0.52667430  0.52459763  0.05376227
   0.90242432  0.75307996  0.31905412
   0.57138809  0.81119881  0.04347438
   0.83794142  1.02279911  0.31899673
   0.95962590  0.89363717  0.15831866
   0.71125794  0.84810145  0.20603849
   0.79692451  0.56616050  0.45741860
   0.54127877  0.64853834  0.38436384
   0.56079958  0.55772839  0.55465682
   0.83278652  0.78309348  0.81995153
   0.66778842  0.81289586  0.50110825
   0.97997137  1.00701015  0.81942631
   1.00758350  0.82652107  0.67132172
   0.79068699  1.02642586  0.69553500
   0.74414681  0.61532285  0.96402371
   0.50778852  0.70647856  0.88402522
   0.71058029  0.81240094  0.68238970
   0.81937784  1.06543497  0.53340072
   1.07700917  0.30235725  0.24818708
   1.08073095  1.26388789  0.18140815
  -0.11023971  0.35041094  0.49866714
   0.54800289  0.49563682  0.38703699
   0.31813934  1.31439574 -0.08056066
  -0.23644305  1.51079717  0.04475220
   0.70801387  0.36149060  0.83802403
   0.60712012  0.55174441  0.72155441
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.826439    0.548318    0.098306
    -0.000000    9.784144    0.021314
    -0.000000    0.000000   13.714799
   Si   O    H 
    32    64    10
Direct configuration=  3790
   0.11259806  0.17524201  0.00375245
   0.35647472  0.11153344  0.38013346
   0.17109585  0.45783922  0.08652394
   0.37765804  0.35759574  0.24300384
   0.07481436  0.16868720  0.48708079
   0.35057982  0.09881786  0.86591419
   0.17972272  0.40269483  0.59481620
   0.35674976  0.39122356  0.75936937
   0.16198114  0.73012289 -0.01012276
   0.38969622  0.61678816  0.36155061
   0.11351424  0.93941815  0.14394791
   0.35820270  0.87067363  0.26663376
   0.13769466  0.63414683  0.48279482
   0.35589125  0.68991586  0.82062538
   0.07651435  0.89308673  0.57862859
   0.37526541  0.91594082  0.67609654
   0.61976571  0.12543178  0.96524896
   0.83755072  0.18556962  0.33335954
   0.58539236  0.37952168  0.10048433
   0.89367195  0.40907525  0.18779829
   0.61904582  0.20800517  0.48005789
   0.89204971  0.15138242  0.85774439
   0.61743066  0.44287538  0.63756656
   0.83175397  0.41515074  0.78660757
   0.57791587  0.66119699 -0.01264908
   0.90296916  0.59895525  0.36695942
   0.60107971  0.91870604  0.12625091
   0.85148037  0.88306854  0.25167955
   0.64458188  0.64994464  0.47956575
   0.88206669  0.67242777  0.90244141
   0.67170944  0.91054830  0.60847563
   0.89650893  0.90776272  0.74869718
   0.10933997  0.10487667  0.10887674
   0.35204717  0.21548868  0.28858746
   0.16936348  0.33148685  0.00436724
   0.36140236  0.45908703  0.33693998
   0.53895759  0.35039956  0.20690914
   0.27998111  0.42033623  0.16374385
   0.22148756  0.12166363  0.44612354
  -0.02076963  0.21205518  0.38997790
  -0.00493257  0.03975390  0.53899753
   0.35870443  0.27674628  0.85428902
   0.06777439  0.28916451  0.56963741
   0.32276872  0.53444462  0.80788310
   0.48829558  0.35850642  0.69727245
   0.21424484  0.36061204  0.70869214
   0.21616230  0.09383495 -0.06804496
  -0.03786871  0.19137162  0.96483386
   0.22557940  0.58842533  0.03251930
   0.36098270  0.69830201  0.26597424
   0.20067715  0.85224747  0.06093030
   0.40527518  0.95211965  0.35787821
   0.45154399  0.93210044  0.18242993
   0.18410804  0.93578894  0.25488932
   0.28920827  0.68477362  0.44556268
   0.06205691  0.54636190  0.39811476
   0.29653195  0.38524637  0.51688120
   0.39242515  0.75864693  0.71839831
   0.06231996  0.78215035  0.49549553
   0.34327478  1.01088494  0.76615773
   0.51526269  0.95651891  0.62490330
   0.23657266  0.91909571  0.60017824
   0.23977437  0.75227339 -0.11567372
  -0.01122883  0.73184022  0.97223922
   0.66809320  0.04709568  0.07358750
   0.86183309  0.24994729  0.21521436
   0.59935138  0.27303489  0.01060934
   0.85393925  0.49826236  0.28003143
   0.01175334  0.49040720  0.13115443
   0.76087944  0.44756527  0.10733587
   0.68939633  0.25403347  0.37611843
   0.47534951  0.17254495  0.44419967
   0.71471208  0.06239025  0.51327760
   0.93766944  0.27228401  0.78690398
   0.63654395  0.31368049  0.56653460
   0.93301724  0.52740895  0.83246505
   1.12987168  0.56831505  0.59144484
   0.79205530  0.45623119  0.66524180
   0.73614595  0.14148268  0.88649585
   0.49346566  0.05748644  0.91963238
   0.52756032  0.52578772  0.05289413
   0.90247835  0.75338523  0.31888257
   0.57031494  0.81026825  0.04149598
   0.83671566  1.02158497  0.31752897
   0.96000798  0.89241622  0.16005681
   0.71083048  0.84699155  0.20504158
   0.79867825  0.56618353  0.45802162
   0.54142975  0.64789941  0.38453762
   0.56129141  0.55613519  0.55499797
   0.83238210  0.78252107  0.82040716
   0.66856165  0.81188111  0.50216136
   0.98078755  1.00576152  0.81834039
   1.00759498  0.83004775  0.67255261
   0.78995084  1.02394989  0.69536319
   0.74565539  0.61429157  0.96389144
   0.50692827  0.70659873  0.88461807
   0.70626277  0.80907498  0.68911169
   0.82628782  1.06996520  0.52926704
   1.08741181  0.28831909  0.23964825
   1.08864476  1.27386014  0.19306543
  -0.08713873  0.33044640  0.44086957
   0.57038188  0.49822786  0.37978596
   0.31021971  1.30908187 -0.07950220
  -0.23291775  1.50860428  0.04803589
   0.70946111  0.36319365  0.83983355
   0.61070721  0.56109593  0.72234310
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.824765    0.544884    0.097721
    -0.000000    9.784238    0.020386
    -0.000000    0.000000   13.714063
   Si   O    H 
    32    64    10
Direct configuration=  3791
   0.11238669  0.17619324  0.00417572
   0.35668060  0.11208057  0.38022670
   0.17065082  0.45884150  0.08776060
   0.37696095  0.35777776  0.24278721
   0.07421527  0.16712661  0.48838836
   0.35060294  0.09839297  0.86544803
   0.17899468  0.40180459  0.59485497
   0.35485374  0.39253665  0.75966991
   0.16259102  0.73130631 -0.01072081
   0.38781023  0.61586968  0.36042106
   0.11345858  0.94040360  0.14355979
   0.35842684  0.87055499  0.26610372
   0.13713723  0.63438517  0.48220042
   0.35427527  0.68990326  0.82123244
   0.07565300  0.89625538  0.58021403
   0.37517356  0.91574328  0.67704144
   0.62120657  0.12555337  0.96511765
   0.83663121  0.18514332  0.33236396
   0.58611270  0.37964073  0.09925046
   0.89429356  0.40785461  0.18730765
   0.61882673  0.20850828  0.48032069
   0.89243000  0.15150831  0.85810983
   0.61613177  0.44206089  0.63774032
   0.83397635  0.41588733  0.78815948
   0.57842552  0.66142846 -0.01308439
   0.90179308  0.59911170  0.36586258
   0.59893240  0.91838760  0.12570047
   0.85072653  0.88204860  0.25189982
   0.64420736  0.65040691  0.48088679
   0.88369135  0.67276752  0.90298247
   0.67206254  0.90977330  0.60967956
   0.89663904  0.90665131  0.74847325
   0.11040860  0.10579733  0.11007712
   0.35188518  0.21507312  0.28730799
   0.16912197  0.33191628  0.00426593
   0.36253279  0.46032178  0.33672530
   0.54023682  0.35070029  0.20788544
   0.27879911  0.42149922  0.16388121
   0.21988140  0.12268824  0.44645334
  -0.02117520  0.21386037  0.38945583
  -0.00455964  0.04187167  0.53699038
   0.35751037  0.27755336  0.85513041
   0.06686851  0.28850455  0.56948184
   0.32317560  0.53642481  0.80815348
   0.48905735  0.35759296  0.69722296
   0.21482943  0.36139483  0.70802889
   0.21506742  0.09210575 -0.06906349
  -0.03797047  0.19102374  0.96418293
   0.22463390  0.58997547  0.03102298
   0.36031089  0.69971261  0.26523584
   0.20068699  0.84985699  0.06075313
   0.40605856  0.95241829  0.35749489
   0.45308947  0.93179790  0.18109218
   0.18427300  0.93479226  0.25348285
   0.28796351  0.68447598  0.44660545
   0.06233479  0.54802489  0.39912786
   0.29628668  0.38373433  0.51746030
   0.39218984  0.75903374  0.71786385
   0.06375856  0.78196205  0.49571396
   0.34345495  1.01150536  0.76575452
   0.51516324  0.95802636  0.62430748
   0.23563297  0.91704338  0.59940348
   0.23752011  0.75228056 -0.11472994
  -0.01291991  0.73156469  0.97245421
   0.66948559  0.04643337  0.07223724
   0.86194412  0.25248354  0.21645386
   0.59739704  0.27347491  0.00951986
   0.85603385  0.49834134  0.28013795
   0.01198383  0.48889997  0.13045366
   0.76045882  0.44641291  0.10766027
   0.68706822  0.25572577  0.37630510
   0.47526641  0.17152100  0.44387383
   0.71483119  0.06185895  0.51394860
   0.93781807  0.27416619  0.78610569
   0.63643524  0.31015467  0.56615358
   0.93589621  0.52905364  0.83298434
   1.12820470  0.56964703  0.59086359
   0.79220024  0.45805883  0.66591002
   0.73480590  0.14172779  0.88791679
   0.49355248  0.05908209  0.91898469
   0.52817221  0.52759819  0.05134206
   0.90156132  0.75279124  0.31844543
   0.56956728  0.80945538  0.03995577
   0.83562722  1.01960663  0.31577777
   0.95986888  0.89102439  0.16186120
   0.71009672  0.84523458  0.20380483
   0.80051571  0.56682781  0.45845176
   0.54218205  0.64679628  0.38456295
   0.56142429  0.55529929  0.55558222
   0.83311526  0.78276306  0.82055030
   0.66829767  0.81080117  0.50341450
   0.98144977  1.00502945  0.81705837
   1.00680403  0.83284238  0.67378478
   0.78845949  1.02133918  0.69522084
   0.74696609  0.61289723  0.96351371
   0.50500150  0.70649877  0.88458467
   0.70324770  0.80699533  0.69510731
   0.82437176  1.07135185  0.52640116
   1.09606438  0.28683428  0.25059498
   1.09733768  1.27717115  0.18363218
  -0.06713054  0.30874041  0.38795001
   0.58932387  0.50155383  0.37087252
   0.30255188  1.30479533 -0.07936013
  -0.22763536  1.51094180  0.05060600
   0.71005830  0.36834140  0.84163123
   0.61324717  0.56921111  0.72116752
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822714    0.541974    0.096950
    -0.000000    9.784129    0.019275
    -0.000000    0.000000   13.713288
   Si   O    H 
    32    64    10
Direct configuration=  3792
   0.11285519  0.17769284  0.00423424
   0.35677248  0.11253540  0.38026701
   0.17034319  0.45938971  0.08861109
   0.37633818  0.35785261  0.24283931
   0.07418919  0.16606691  0.48968386
   0.35083667  0.09735625  0.86500448
   0.17799821  0.40120241  0.59468561
   0.35339468  0.39300383  0.75944061
   0.16320626  0.73196282 -0.01121315
   0.38544546  0.61493775  0.35944932
   0.11297540  0.94057076  0.14351989
   0.35813900  0.87093609  0.26549829
   0.13677703  0.63501278  0.48143110
   0.35314058  0.69036141  0.82159930
   0.07516580  0.89916556  0.58148098
   0.37521442  0.91528912  0.67741850
   0.62235435  0.12546825  0.96519344
   0.83501514  0.18431640  0.33105173
   0.58726332  0.38009794  0.09806230
   0.89473500  0.40643124  0.18671991
   0.61804129  0.20836954  0.48039869
   0.89293109  0.15203569  0.85877678
   0.61470887  0.44205650  0.63826620
   0.83615382  0.41678856  0.78914654
   0.57897042  0.66140162 -0.01352740
   0.90100579  0.59934418  0.36509066
   0.59691509  0.91780854  0.12495147
   0.84987172  0.88121611  0.25207692
   0.64398699  0.65130636  0.48202775
   0.88428639  0.67250422  0.90323075
   0.67226682  0.90900200  0.61085101
   0.89623832  0.90499625  0.74834270
   0.11156461  0.10678788  0.11116245
   0.35175104  0.21341242  0.28583588
   0.16866442  0.33203285  0.00403920
   0.36362565  0.46190992  0.33671417
   0.54105116  0.35084799  0.20815355
   0.27865159  0.42265091  0.16332284
   0.21809059  0.12323509  0.44714692
  -0.02204694  0.21603695  0.38915728
  -0.00377242  0.04216226  0.53449635
   0.35725832  0.27815463  0.85656470
   0.06544178  0.28774364  0.56895934
   0.32324032  0.53849525  0.80856038
   0.48970579  0.35688846  0.69755010
   0.21581132  0.36178421  0.70713222
   0.21457847  0.08977321 -0.06995863
  -0.03807624  0.19097506  0.96349546
   0.22389345  0.59086165  0.03019465
   0.35939645  0.70227137  0.26486087
   0.20140283  0.84838594  0.06117260
   0.40684608  0.95232519  0.35757093
   0.45460571  0.93117261  0.17974362
   0.18475757  0.93425488  0.25208350
   0.28626920  0.68357620  0.44730850
   0.06171774  0.54881002  0.39982581
   0.29576778  0.38278627  0.51750822
   0.39209865  0.75908649  0.71770531
   0.06500164  0.78258294  0.49573329
   0.34325711  1.01234556  0.76600720
   0.51560894  0.95907682  0.62347678
   0.23577080  0.91487950  0.59887226
   0.23458970  0.75263339 -0.11371151
  -0.01264268  0.73126936  0.97364832
   0.67014230  0.04573599  0.07116064
   0.86172884  0.25445956  0.21745618
   0.59466732  0.27402207  0.00919653
   0.85841794  0.49819447  0.28080734
   0.01206563  0.48760172  0.12927715
   0.75998075  0.44480730  0.10796195
   0.68547405  0.25796140  0.37649623
   0.47492420  0.17121984  0.44327441
   0.71636295  0.06176072  0.51462326
   0.93784578  0.27576524  0.78561450
   0.63653956  0.30664728  0.56458014
   0.93765783  0.53080243  0.83347948
   1.12667177  0.57037398  0.59049542
   0.79114627  0.46036202  0.66696956
   0.73423324  0.14141565  0.88837549
   0.49240004  0.06080084  0.91836377
   0.52900976  0.52978576  0.04980945
   0.90075223  0.75193416  0.31798300
   0.56929828  0.80852287  0.03902378
   0.83529462  1.01845212  0.31424273
   0.96041127  0.88974696  0.16395957
   0.70805419  0.84390638  0.20274032
   0.80296115  0.56803971  0.45923580
   0.54400149  0.64570105  0.38426713
   0.56147763  0.55517930  0.55568723
   0.83385789  0.78347840  0.82073565
   0.66775863  0.80938286  0.50464192
   0.98152544  1.00420813  0.81681374
   1.00673378  0.83492668  0.67564151
   0.78786920  1.01834634  0.69521827
   0.74809921  0.61145631  0.96315521
   0.50333894  0.70650412  0.88483400
   0.70078540  0.80399842  0.69690037
   0.81450983  1.07186103  0.52242590
   1.10295997  0.28537693  0.25044196
   1.10565407  1.27702899  0.18460872
  -0.04522995  0.29266994  0.34219667
   0.60337459  0.50639157  0.35918217
   0.29434806  1.30283709 -0.08194486
  -0.22356334  1.51387571  0.05212066
   0.71029889  0.37428828  0.84349926
   0.61428203  0.57085181  0.72023206
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.820716    0.538991    0.095541
    -0.000000    9.784169    0.017767
    -0.000000    0.000000   13.712372
   Si   O    H 
    32    64    10
Direct configuration=  3793
   0.11367448  0.17871755  0.00429602
   0.35685337  0.11330113  0.38012714
   0.16954562  0.46012418  0.08966148
   0.37569923  0.35795790  0.24292822
   0.07395491  0.16520360  0.49080536
   0.35161648  0.09644131  0.86454132
   0.17719751  0.40084446  0.59468737
   0.35175023  0.39319550  0.75926465
   0.16322708  0.73280949 -0.01181706
   0.38327092  0.61363307  0.35893303
   0.11286736  0.94018298  0.14344992
   0.35821760  0.87158819  0.26491305
   0.13595972  0.63556611  0.48082620
   0.35288674  0.69057080  0.82238745
   0.07478101  0.90214118  0.58218207
   0.37555566  0.91429967  0.67740610
   0.62409511  0.12497511  0.96572675
   0.83312643  0.18251935  0.32988181
   0.58859888  0.38074572  0.09695390
   0.89502850  0.40579506  0.18582071
   0.61732569  0.20824632  0.48028844
   0.89337575  0.15181431  0.85927673
   0.61330196  0.44211685  0.63902702
   0.83849040  0.41729665  0.78958142
   0.57976852  0.66185382 -0.01408394
   0.89992956  0.59942328  0.36433190
   0.59510166  0.91668481  0.12425192
   0.84861804  0.88032444  0.25236317
   0.64379724  0.65122135  0.48309103
   0.88391921  0.67198133  0.90313484
   0.67221084  0.90842927  0.61197521
   0.89532131  0.90386626  0.74818795
   0.11206891  0.10823069  0.11228921
   0.35167808  0.21118207  0.28438740
   0.16879253  0.33214351  0.00344790
   0.36424597  0.46266612  0.33593811
   0.54178117  0.35074936  0.20747668
   0.27960691  0.42374802  0.16262473
   0.21671958  0.12345114  0.44714770
  -0.02327178  0.21841676  0.38895019
  -0.00285944  0.04183802  0.53287102
   0.35713659  0.27833736  0.85793577
   0.06319173  0.28751340  0.56783931
   0.32305688  0.53914973  0.80936932
   0.49058587  0.35674306  0.69762935
   0.21705153  0.36255622  0.70682051
   0.21493322  0.08729587 -0.07069723
  -0.03741736  0.19008377  0.96277515
   0.22366591  0.59260146  0.02940790
   0.35891288  0.70558767  0.26358814
   0.20173879  0.84842388  0.06181786
   0.40768756  0.95270288  0.35761346
   0.45530789  0.93046530  0.17795020
   0.18556266  0.93356032  0.25053307
   0.28468866  0.68350122  0.44721368
   0.06096344  0.54852368  0.40009923
   0.29537581  0.38227591  0.51709955
   0.39042715  0.75812956  0.71790592
   0.06576673  0.78377965  0.49572732
   0.34245984  1.01391185  0.76605785
   0.51569718  0.96024766  0.62366550
   0.23626263  0.91326143  0.59859914
   0.23201056  0.75310557 -0.11265876
  -0.01099489  0.73038650  0.97519534
   0.67024255  0.04482175  0.07042641
   0.86188477  0.25595515  0.21888221
   0.59298352  0.27499316  0.00904324
   0.86054744  0.49776297  0.28098045
   0.01157537  0.48621408  0.12869487
   0.75887801  0.44355354  0.10811726
   0.68514749  0.25954146  0.37585621
   0.47478998  0.17050124  0.44354551
   0.71804691  0.06198959  0.51526431
   0.93774675  0.27719270  0.78549907
   0.63663834  0.30449633  0.56325008
   0.93900720  0.53260653  0.83420920
   1.12568458  0.57011935  0.58993936
   0.78996289  0.46211431  0.66862066
   0.73368805  0.14079224  0.88891920
   0.49095544  0.06219990  0.91755492
   0.52973600  0.53113261  0.04811397
   0.89956030  0.75067033  0.31736097
   0.56947688  0.80717917  0.03800554
   0.83452016  1.01801376  0.31275682
   0.96153847  0.88808973  0.16585953
   0.70602557  0.84233069  0.20199495
   0.80473794  0.57029631  0.45980597
   0.54611281  0.64376355  0.38363883
   0.56183367  0.55480766  0.55542866
   0.83370996  0.78458357  0.82048327
   0.66730272  0.80878968  0.50607656
   0.98186207  1.00465980  0.81692620
   1.00678014  0.83636817  0.67713129
   0.78813040  1.01509380  0.69533365
   0.74953665  0.60993027  0.96245676
   0.50234856  0.70590887  0.88558315
   0.69745320  0.80350170  0.69488908
   0.80637329  1.07276801  0.52042157
   1.11163289  0.28438734  0.23593188
   1.11186668  1.27652751  0.19464801
  -0.01592723  0.28327586  0.30828709
   0.61414649  0.51704492  0.34562945
   0.28905913  1.30084065 -0.08792213
  -0.21857364  1.51634107  0.05503690
   0.71382351  0.38114570  0.84700681
   0.61167633  0.56757689  0.72028538
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.818797    0.536018    0.094630
    -0.000000    9.784235    0.016573
    -0.000000    0.000000   13.711690
   Si   O    H 
    32    64    10
Direct configuration=  3794
   0.11462743  0.17952221  0.00454391
   0.35633265  0.11356480  0.38064408
   0.16859294  0.46069214  0.09005567
   0.37565769  0.35800958  0.24348894
   0.07333624  0.16495232  0.49198290
   0.35254430  0.09547851  0.86390316
   0.17672440  0.40102860  0.59462905
   0.35066468  0.39286723  0.75873697
   0.16292229  0.73352107 -0.01209385
   0.38136241  0.61286330  0.35870393
   0.11348206  0.93991812  0.14339461
   0.35763180  0.87190893  0.26462787
   0.13537846  0.63556569  0.48042682
   0.35287397  0.69076994  0.82325897
   0.07515418  0.90381119  0.58264345
   0.37547317  0.91373593  0.67715405
   0.62668245  0.12396992  0.96684828
   0.83125124  0.18047503  0.32891082
   0.59011733  0.38187706  0.09561931
   0.89524460  0.40549757  0.18498015
   0.61662229  0.20787948  0.47991319
   0.89389584  0.15156431  0.85943274
   0.61217105  0.44266984  0.63982710
   0.84065264  0.41773885  0.78963660
   0.58039811  0.66252503 -0.01504611
   0.89902008  0.59913528  0.36373245
   0.59384267  0.91537153  0.12367901
   0.84772714  0.87936935  0.25305440
   0.64360983  0.65098934  0.48377393
   0.88261320  0.67130230  0.90246348
   0.67253128  0.90812531  0.61247003
   0.89481045  0.90289296  0.74823205
   0.11237644  0.10958251  0.11314273
   0.35191589  0.20862709  0.28340653
   0.16884408  0.33281336  0.00277732
   0.36472213  0.46328994  0.33478680
   0.54237811  0.35103582  0.20669157
   0.28126709  0.42525831  0.16292434
   0.21501342  0.12408591  0.44640473
  -0.02387001  0.22047590  0.38880906
  -0.00121179  0.03995869  0.53206881
   0.35667905  0.27915243  0.85951765
   0.06135748  0.28777464  0.56652370
   0.32315870  0.53936731  0.81091286
   0.49107237  0.35648145  0.69801187
   0.21698116  0.36307263  0.70628319
   0.21475386  0.08506291 -0.07147211
  -0.03761250  0.18880403  0.96313220
   0.22360511  0.59385137  0.02890115
   0.35867315  0.70912411  0.26239910
   0.20221222  0.84920407  0.06265982
   0.40764114  0.95345280  0.35758226
   0.45489603  0.92902063  0.17640002
   0.18695980  0.93309365  0.24884973
   0.28321739  0.68256743  0.44655322
   0.06061777  0.54851090  0.40049373
   0.29516433  0.38162151  0.51705019
   0.38824223  0.75772111  0.71800919
   0.06640716  0.78645486  0.49572741
   0.34145892  1.01534932  0.76610264
   0.51540826  0.96046896  0.62437672
   0.23768715  0.91212161  0.59878868
   0.22921099  0.75446346 -0.11232231
  -0.00895235  0.73011624  0.97677814
   0.67009807  0.04299439  0.06953059
   0.86186533  0.25738640  0.22035145
   0.59085828  0.27512591  0.00879515
   0.86181519  0.49771077  0.28048831
   0.01112989  0.48514727  0.12811365
   0.75841199  0.44228832  0.10893660
   0.68582340  0.26025611  0.37491691
   0.47439393  0.16901949  0.44416627
   0.71869455  0.06236671  0.51579014
   0.93814724  0.27825430  0.78575164
   0.63679364  0.30319327  0.56283177
   0.94039706  0.53459794  0.83490039
   1.12347659  0.56955565  0.58966193
   0.78920464  0.46436487  0.67028417
   0.73339419  0.13924598  0.88841406
   0.49054799  0.06303185  0.91695142
   0.53078175  0.53281465  0.04718783
   0.89851576  0.75004764  0.31694354
   0.57052764  0.80623318  0.03758310
   0.83417279  1.01805093  0.31125255
   0.96330034  0.88667318  0.16797378
   0.70433613  0.84132584  0.20181132
   0.80495113  0.57295784  0.46031784
   0.54836429  0.64215175  0.38299229
   0.56248773  0.55402090  0.55475175
   0.83398170  0.78638943  0.82012257
   0.66648113  0.80906627  0.50781791
   0.98154836  1.00578804  0.81742332
   1.00747127  0.83720745  0.67775007
   0.78764420  1.01085269  0.69539241
   0.75079033  0.60923895  0.96233270
   0.50120583  0.70501414  0.88592200
   0.69106897  0.80004686  0.68955395
   0.82098525  1.07555112  0.52287465
   1.11750505  0.29022973  0.25452150
   1.11905074  1.26932185  0.17647673
   0.01437861  0.28203691  0.28105944
   0.62533398  0.52327447  0.33381374
   0.28486835  1.30147385 -0.09276307
  -0.21783294  1.51813439  0.05570257
   0.71867307  0.38900872  0.85038569
   0.60224174  0.56281720  0.72071067
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.816334    0.533213    0.093463
    -0.000000    9.784712    0.015460
    -0.000000    0.000000   13.711421
   Si   O    H 
    32    64    10
Direct configuration=  3795
   0.11548356  0.17941030  0.00457163
   0.35514615  0.11388674  0.38152977
   0.16688478  0.46082591  0.09031895
   0.37582866  0.35858315  0.24405327
   0.07278241  0.16551167  0.49198603
   0.35283351  0.09493247  0.86352733
   0.17626307  0.40167255  0.59439213
   0.35037543  0.39223386  0.75797334
   0.16206599  0.73415860 -0.01221113
   0.37985135  0.61229739  0.35849996
   0.11433353  0.94017341  0.14331631
   0.35731182  0.87223034  0.26414596
   0.13446260  0.63518370  0.48065801
   0.35374831  0.69052033  0.82436500
   0.07557859  0.90508841  0.58309564
   0.37509069  0.91281117  0.67652957
   0.62937510  0.12249497  0.96824634
   0.82989311  0.17897431  0.32839804
   0.59132564  0.38294971  0.09406100
   0.89481474  0.40552885  0.18444436
   0.61620044  0.20711680  0.47964764
   0.89476565  0.15109862  0.85909880
   0.61159442  0.44293194  0.64047462
   0.84254030  0.41849756  0.78957742
   0.58128441  0.66298580 -0.01594973
   0.89813262  0.59805027  0.36309149
   0.59330349  0.91379621  0.12304875
   0.84642195  0.87882951  0.25327664
   0.64369596  0.65071828  0.48435869
   0.88088224  0.67026743  0.90129162
   0.67303834  0.90827747  0.61248544
   0.89296079  0.90305758  0.74850597
   0.11299815  0.11058090  0.11381807
   0.35199851  0.20568723  0.28297711
   0.16881425  0.33406906  0.00201120
   0.36515395  0.46293627  0.33388967
   0.54258804  0.35044953  0.20542025
   0.28348298  0.42734449  0.16355694
   0.21419957  0.12398630  0.44575006
  -0.02487302  0.22135656  0.38888856
  -0.00004950  0.03732499  0.53115441
   0.35584264  0.28003792  0.86089900
   0.05943673  0.28842691  0.56540652
   0.32319049  0.53901119  0.81256343
   0.49082262  0.35612892  0.69813944
   0.21634404  0.36336489  0.70601007
   0.21509159  0.08390026 -0.07186330
  -0.03834031  0.18791230  0.96342399
   0.22409529  0.59458048  0.02807433
   0.35859602  0.71197464  0.26164032
   0.20244038  0.84974425  0.06363447
   0.40755369  0.95489827  0.35732504
   0.45414121  0.92803847  0.17485623
   0.18855471  0.93305201  0.24714795
   0.28298115  0.68147691  0.44591749
   0.05989522  0.54817518  0.40007027
   0.29523366  0.38076490  0.51669483
   0.38595093  0.75736538  0.71830314
   0.06733386  0.78945968  0.49568508
   0.34066676  1.01685582  0.76610439
   0.51402493  0.96073379  0.62493552
   0.23910110  0.91195562  0.59915031
   0.22667636  0.75642157 -0.11259408
  -0.00678519  0.72947441  0.97742836
   0.67005223  0.04113657  0.06840944
   0.86077025  0.25800469  0.22177488
   0.58884070  0.27565935  0.00829831
   0.86280698  0.49711723  0.27955242
   0.01066543  0.48464572  0.12672541
   0.75796872  0.44077608  0.10947294
   0.68781878  0.26021168  0.37372925
   0.47489010  0.16708224  0.44505588
   0.71923579  0.06255543  0.51621526
   0.93869939  0.27842699  0.78611240
   0.63725007  0.30290546  0.56324292
   0.94193817  0.53662766  0.83572268
   1.12150515  0.56799310  0.58968203
   0.78797358  0.46688462  0.67141669
   0.73391740  0.13820104  0.88757463
   0.49008567  0.06323757  0.91714636
   0.53153480  0.53368384  0.04596131
   0.89771279  0.74935731  0.31687933
   0.57092250  0.80582524  0.03768143
   0.83449150  1.01810701  0.31030467
   0.96459770  0.88571432  0.16968435
   0.70261622  0.84026971  0.20141404
   0.80480208  0.57511956  0.46117632
   0.55068310  0.64048788  0.38208387
   0.56212118  0.55395523  0.55382137
   0.83389812  0.78748525  0.82013037
   0.66586080  0.80992507  0.50905702
   0.98106141  1.00706928  0.81776109
   1.00880589  0.83732167  0.67811042
   0.78600743  1.00539954  0.69537417
   0.75143021  0.60851935  0.96252557
   0.49891232  0.70389556  0.88595043
   0.68627285  0.79664502  0.68325743
   0.82790811  1.07836715  0.52478419
   1.11625700  0.29691632  0.27061604
   1.13243003  1.26574924  0.16038549
   0.05608556  0.28492358  0.25834126
   0.63442842  0.53247831  0.31993008
   0.27868690  1.30698005 -0.09325933
  -0.21976060  1.51542554  0.05829743
   0.72438786  0.39570964  0.85377770
   0.59089099  0.55577856  0.72021714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.813330    0.529877    0.092119
    -0.000000    9.784852    0.014183
    -0.000000    0.000000   13.711975
   Si   O    H 
    32    64    10
Direct configuration=  3796
   0.11610029  0.17893095  0.00440449
   0.35351332  0.11457061  0.38250858
   0.16566723  0.46092445  0.09035020
   0.37635148  0.35925982  0.24448957
   0.07265713  0.16709932  0.49196704
   0.35247134  0.09454213  0.86374851
   0.17597766  0.40232477  0.59337353
   0.35011999  0.39175700  0.75753743
   0.16058998  0.73458825 -0.01231135
   0.37887104  0.61264049  0.35840315
   0.11490595  0.94050385  0.14326163
   0.35686066  0.87280486  0.26340530
   0.13410255  0.63473077  0.48083291
   0.35430978  0.69078241  0.82507376
   0.07666985  0.90642549  0.58318957
   0.37429374  0.91210957  0.67578753
   0.63137066  0.12106407  0.96959423
   0.82972277  0.17807043  0.32792303
   0.59257718  0.38525610  0.09237409
   0.89417054  0.40619570  0.18439664
   0.61582700  0.20636562  0.47899000
   0.89532615  0.15027137  0.85859094
   0.61116951  0.44391791  0.64065762
   0.84431955  0.41899592  0.78952694
   0.58235487  0.66340354 -0.01663129
   0.89726477  0.59689617  0.36304064
   0.59308228  0.91153292  0.12207840
   0.84529041  0.87847749  0.25304265
   0.64417081  0.64987238  0.48478702
   0.87961468  0.66940368  0.90021712
   0.67301838  0.90864262  0.61276014
   0.89113411  0.90288940  0.74848734
   0.11435510  0.11060392  0.11380625
   0.35130777  0.20311882  0.28247658
   0.16887581  0.33594241  0.00081066
   0.36510719  0.46149477  0.33291014
   0.54241840  0.34969948  0.20370921
   0.28572120  0.42957641  0.16423409
   0.21481961  0.12308073  0.44494251
  -0.02610921  0.22104295  0.38934418
   0.00030577  0.03399731  0.52993124
   0.35508726  0.28028848  0.86184295
   0.05865572  0.28932676  0.56451897
   0.32320441  0.53720575  0.81376807
   0.49059167  0.35476662  0.69821933
   0.21545343  0.36360499  0.70561857
   0.21595538  0.08313312 -0.07211753
  -0.04017170  0.18775881  0.96313897
   0.22379769  0.59537456  0.02760996
   0.35898779  0.71392629  0.26078540
   0.20299708  0.85054091  0.06510994
   0.40716074  0.95693931  0.35680151
   0.45307408  0.92774681  0.17374062
   0.19095717  0.93298133  0.24590553
   0.28341006  0.67976797  0.44475167
   0.05886585  0.54759373  0.39946060
   0.29543744  0.38051039  0.51618104
   0.38372334  0.75742512  0.71871669
   0.06866774  0.79163192  0.49572738
   0.34026682  1.01820430  0.76563856
   0.51224041  0.96124229  0.62498186
   0.24074248  0.91156039  0.60004662
   0.22519213  0.75862723 -0.11305466
  -0.00489647  0.72837150  0.97805364
   0.67035141  0.03917553  0.06707907
   0.85949913  0.25905667  0.22250418
   0.58609867  0.27645206  0.00735145
   0.86422777  0.49618039  0.27813330
   0.01036818  0.48479488  0.12521939
   0.75794651  0.43869423  0.10984968
   0.68917598  0.26039635  0.37276127
   0.47439807  0.16570270  0.44583340
   0.72042699  0.06180273  0.51645573
   0.93868791  0.27814744  0.78602238
   0.63726084  0.30411802  0.56405208
   0.94296278  0.53787330  0.83647109
   1.11987494  0.56625489  0.59004929
   0.78635366  0.46881876  0.67317975
   0.73530852  0.13690052  0.88685671
   0.49006116  0.06390556  0.91801291
   0.53262936  0.53426076  0.04549290
   0.89674463  0.74842334  0.31672434
   0.57109566  0.80597966  0.03725674
   0.83464648  1.01851043  0.30913151
   0.96607369  0.88486595  0.17107478
   0.70099344  0.83912119  0.20085018
   0.80367403  0.57751655  0.46193549
   0.55194042  0.63859677  0.38130277
   0.56224783  0.55427993  0.55281565
   0.83426224  0.78893850  0.82018466
   0.66527666  0.81161855  0.51035488
   0.97998247  1.00885775  0.81851525
   1.00910697  0.83668540  0.67869028
   0.78443992  1.00073689  0.69509245
   0.75169611  0.60763586  0.96250797
   0.49660742  0.70276038  0.88675877
   0.68311367  0.78820566  0.67745112
   0.82525900  1.07692080  0.52598418
   1.13280583  0.30568573  0.29182504
   1.14288239  1.26697529  0.14107625
   0.07591622  0.28364302  0.23563465
   0.64334685  0.54512142  0.30770893
   0.27442920  1.31797768 -0.09266547
  -0.22292435  1.51353034  0.06078442
   0.73085517  0.40383656  0.85721877
   0.57850747  0.54988365  0.72065492
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.810118    0.527086    0.090652
    -0.000000    9.785222    0.012383
    -0.000000    0.000000   13.712368
   Si   O    H 
    32    64    10
Direct configuration=  3797
   0.11664492  0.17828765  0.00427541
   0.35210283  0.11600143  0.38353425
   0.16479104  0.46113523  0.09012878
   0.37744859  0.36007048  0.24531802
   0.07225183  0.16798219  0.49127147
   0.35140202  0.09466663  0.86421849
   0.17580227  0.40289703  0.59253275
   0.34998422  0.39167565  0.75739338
   0.15931899  0.73514478 -0.01207249
   0.37866762  0.61339945  0.35799692
   0.11488851  0.94097331  0.14322187
   0.35638662  0.87378176  0.26266706
   0.13431779  0.63436855  0.48160883
   0.35456317  0.69050387  0.82540798
   0.07808251  0.90719904  0.58301934
   0.37398491  0.91147276  0.67501968
   0.63342892  0.11968080  0.97095014
   0.82991482  0.17701152  0.32728374
   0.59357996  0.38796693  0.09090036
   0.89362088  0.40711666  0.18411896
   0.61595246  0.20594623  0.47782423
   0.89583162  0.14898776  0.85833991
   0.61113528  0.44439037  0.64064484
   0.84551264  0.41960557  0.78922586
   0.58373546  0.66320797 -0.01779260
   0.89694206  0.59595933  0.36290628
   0.59364288  0.90934387  0.12136010
   0.84431284  0.87794301  0.25280830
   0.64448991  0.64945458  0.48527205
   0.87845656  0.66823124  0.89929233
   0.67257420  0.90917378  0.61307556
   0.88937234  0.90244224  0.74886340
   0.11602430  0.11110112  0.11358287
   0.35148376  0.20107434  0.28226774
   0.16903491  0.33846844 -0.00028346
   0.36475472  0.46019948  0.33228069
   0.54277426  0.34945101  0.20199032
   0.28766505  0.43200883  0.16478605
   0.21541891  0.12213429  0.44413659
  -0.02721055  0.22156829  0.39013254
   0.00104763  0.03090547  0.52903529
   0.35417906  0.28043352  0.86292329
   0.05819283  0.29049665  0.56412997
   0.32316603  0.53467649  0.81511210
   0.48924382  0.35374975  0.69845656
   0.21459114  0.36426548  0.70578821
   0.21673819  0.08316708 -0.07153802
  -0.04187956  0.18773400  0.96308143
   0.22358115  0.59611994  0.02644201
   0.35945633  0.71482066  0.26037598
   0.20309516  0.85194889  0.06627401
   0.40638499  0.95969610  0.35634746
   0.45133220  0.92719853  0.17271580
   0.19390942  0.93229042  0.24517915
   0.28421023  0.67811037  0.44355759
   0.05729004  0.54780559  0.39872340
   0.29595494  0.38058797  0.51573324
   0.38122110  0.75837215  0.71925409
   0.06958061  0.79344682  0.49593014
   0.34013874  1.01959439  0.76494569
   0.51083628  0.96148487  0.62480617
   0.24199208  0.91162820  0.60073909
   0.22354637  0.76071300 -0.11453724
  -0.00374896  0.72650811  0.97824592
   0.67046405  0.03696471  0.06542226
   0.85826441  0.25995553  0.22311954
   0.58400204  0.27713073  0.00632501
   0.86538751  0.49519395  0.27686828
   0.00970542  0.48545682  0.12359216
   0.75882658  0.43743377  0.10978350
   0.69006566  0.26038936  0.37204091
   0.47414392  0.16514710  0.44613536
   0.72083068  0.06154415  0.51635553
   0.93858375  0.27745649  0.78599461
   0.63764607  0.30624335  0.56503868
   0.94421959  0.53964815  0.83695505
   1.11830601  0.56475834  0.59093006
   0.78511159  0.47051327  0.67484734
   0.73688400  0.13536876  0.88560613
   0.49089980  0.06451092  0.91933846
   0.53212670  0.53472830  0.04518480
   0.89569745  0.74747087  0.31595703
   0.57129537  0.80558112  0.03641906
   0.83386865  1.01895221  0.30876929
   0.96703185  0.88484249  0.17262556
   0.69910806  0.83823379  0.20082462
   0.80192976  0.58055830  0.46247925
   0.55289737  0.63661524  0.38017744
   0.56256381  0.55354399  0.55147094
   0.83484312  0.79001125  0.82066781
   0.66508073  0.81256413  0.51128527
   0.97840006  1.01003236  0.81917236
   1.00960183  0.83628238  0.67917002
   0.78316413  0.99673746  0.69458804
   0.75263475  0.60775923  0.96257778
   0.49440633  0.70227933  0.88824237
   0.68016662  0.77875126  0.67560598
   0.81183112  1.07398973  0.52518800
   1.13761547  0.30951898  0.30096286
   1.14614835  1.26938059  0.13268543
   0.10370040  0.28159558  0.21812476
   0.64430947  0.55889841  0.30091030
   0.27647531  1.32772073 -0.09035964
  -0.22510965  1.51276689  0.06021104
   0.73743679  0.40874521  0.85934227
   0.56626861  0.54275866  0.72344698
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807255    0.524317    0.089142
    -0.000000    9.785645    0.010540
    -0.000000    0.000000   13.713020
   Si   O    H 
    32    64    10
Direct configuration=  3798
   0.11694011  0.17757625  0.00420000
   0.35066559  0.11737342  0.38460078
   0.16357221  0.46107185  0.08985283
   0.37902963  0.36035438  0.24622951
   0.07224146  0.16826081  0.49018642
   0.35078903  0.09525571  0.86474082
   0.17560634  0.40337555  0.59183552
   0.35032411  0.39242791  0.75775472
   0.15759438  0.73541617 -0.01148606
   0.37871684  0.61444288  0.35831534
   0.11460469  0.94188517  0.14306491
   0.35527018  0.87510641  0.26174246
   0.13447038  0.63360460  0.48269240
   0.35474151  0.69071800  0.82528276
   0.08004186  0.90741453  0.58285245
   0.37318849  0.91064204  0.67476793
   0.63492240  0.11850331  0.97169648
   0.83033626  0.17632376  0.32685100
   0.59446989  0.39032578  0.08976472
   0.89327118  0.40743637  0.18381414
   0.61712776  0.20543092  0.47676697
   0.89628941  0.14815568  0.85800843
   0.61087437  0.44519474  0.64086500
   0.84748520  0.42093699  0.78832292
   0.58504902  0.66311753 -0.01893033
   0.89722996  0.59456474  0.36279021
   0.59487014  0.90680838  0.12090216
   0.84276465  0.87807007  0.25276724
   0.64508065  0.64867852  0.48581045
   0.87721601  0.66729908  0.89848047
   0.67184469  0.90987588  0.61326057
   0.88853982  0.90185781  0.74909560
   0.11769976  0.11148753  0.11316011
   0.35196753  0.19949092  0.28182874
   0.16892470  0.34091181 -0.00157566
   0.36472378  0.45883533  0.33183717
   0.54204604  0.35033290  0.20026882
   0.28966776  0.43431639  0.16513174
   0.21600708  0.12131455  0.44305964
  -0.02891768  0.22114421  0.39045816
   0.00091518  0.02906421  0.52758245
   0.35337395  0.28073231  0.86367164
   0.05804921  0.29170053  0.56400370
   0.32307539  0.53227809  0.81594428
   0.48722182  0.35298712  0.69920650
   0.21405869  0.36447150  0.70560170
   0.21722214  0.08348530 -0.07083642
  -0.04289213  0.18840370  0.96308738
   0.22329793  0.59620109  0.02573720
   0.36008896  0.71486781  0.25993011
   0.20340375  0.85338110  0.06738602
   0.40633424  0.96194711  0.35669664
   0.44954393  0.92756914  0.17234656
   0.19622382  0.93093413  0.24420193
   0.28544191  0.67666312  0.44210238
   0.05484776  0.54807547  0.39786204
   0.29652823  0.38003203  0.51554750
   0.37885390  0.75968890  0.71997754
   0.07152544  0.79477938  0.49567273
   0.33983862  1.02054358  0.76389391
   0.50896482  0.96165112  0.62471592
   0.24259401  0.91139703  0.60117613
   0.22221317  0.76274666 -0.11606947
  -0.00378729  0.72440585  0.97880840
   0.67057541  0.03505862  0.06417184
   0.85653485  0.26020346  0.22382095
   0.58248327  0.27767273  0.00546779
   0.86729103  0.49413854  0.27587375
   0.00893956  0.48597670  0.12224696
   0.76013414  0.43630589  0.10935955
   0.69121737  0.26040482  0.37124039
   0.47359682  0.16452485  0.44690152
   0.71945855  0.06147259  0.51597418
   0.93835112  0.27582537  0.78600977
   0.63789403  0.30757963  0.56563380
   0.94491567  0.54121691  0.83709317
   1.11720594  0.56307924  0.59125176
   0.78381248  0.47207797  0.67683012
   0.73885103  0.13361165  0.88438114
   0.49189080  0.06469711  0.92107914
   0.53129556  0.53544203  0.04543599
   0.89482874  0.74680499  0.31527591
   0.57149367  0.80434786  0.03498829
   0.83351446  1.01933355  0.30829954
   0.96752082  0.88469248  0.17373824
   0.69792451  0.83822596  0.20079958
   0.79988088  0.58342822  0.46290677
   0.55388843  0.63478321  0.37843362
   0.56256577  0.55295617  0.55012667
   0.83534321  0.79044072  0.82113950
   0.66481043  0.81304108  0.51214643
   0.97683137  1.01076680  0.81916302
   1.01030223  0.83629032  0.67943325
   0.78109479  0.99360926  0.69338249
   0.75320233  0.60806372  0.96279976
   0.49236326  0.70161438  0.88891056
   0.68299904  0.77252474  0.67402915
   0.81090466  1.07037908  0.52816847
   1.13921312  0.30999021  0.30611868
   1.14479257  1.27562813  0.13672106
   0.13103904  0.27811458  0.20312252
   0.63821477  0.57379216  0.29984751
   0.27775379  1.33282080 -0.08906252
  -0.22401940  1.51294671  0.05943424
   0.74195125  0.41293053  0.86202835
   0.55700316  0.53719231  0.72450161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804528    0.521119    0.087079
    -0.000000    9.786082    0.008860
    -0.000000    0.000000   13.713152
   Si   O    H 
    32    64    10
Direct configuration=  3799
   0.11797313  0.17736481  0.00408734
   0.34944812  0.11839309  0.38541146
   0.16288070  0.46117515  0.08948015
   0.38077081  0.35955262  0.24679139
   0.07203898  0.16905159  0.48866832
   0.35040736  0.09566513  0.86519329
   0.17542389  0.40418407  0.59121971
   0.35161487  0.39311467  0.75798134
   0.15587423  0.73595326 -0.01101793
   0.37840784  0.61547141  0.35795249
   0.11438004  0.94286144  0.14366858
   0.35515313  0.87656780  0.26112708
   0.13439229  0.63317682  0.48366157
   0.35518864  0.69122830  0.82493761
   0.08186021  0.90752116  0.58265210
   0.37203304  0.91009487  0.67454690
   0.63520944  0.11721952  0.97244825
   0.83055006  0.17618888  0.32669085
   0.59510794  0.39270502  0.08876471
   0.89346545  0.40766784  0.18373569
   0.61894027  0.20474093  0.47606831
   0.89627095  0.14760174  0.85732303
   0.61061459  0.44603234  0.64099238
   0.84924533  0.42213734  0.78744603
   0.58672800  0.66312024 -0.02037938
   0.89711108  0.59358101  0.36300264
   0.59551147  0.90471562  0.12037751
   0.84166832  0.87774222  0.25226458
   0.64580935  0.64826123  0.48609743
   0.87562663  0.66688359  0.89725843
   0.67162319  0.91047489  0.61390241
   0.88842662  0.90134294  0.74933892
   0.11848891  0.11070172  0.11276345
   0.35224760  0.19826078  0.28142695
   0.16877642  0.34278130 -0.00248036
   0.36435234  0.45797807  0.33200822
   0.54116287  0.35140005  0.19853346
   0.29135802  0.43678437  0.16511949
   0.21680016  0.12046983  0.44238556
  -0.03006335  0.22026285  0.39033597
   0.00099019  0.02876933  0.52658111
   0.35251484  0.28130095  0.86375171
   0.05825150  0.29304352  0.56428652
   0.32258704  0.53083495  0.81667496
   0.48535806  0.35207030  0.69986847
   0.21286913  0.36526807  0.70533070
   0.21764378  0.08335446 -0.06930355
  -0.04336452  0.18946177  0.96382128
   0.22288219  0.59523435  0.02578863
   0.36061416  0.71455343  0.25979593
   0.20373102  0.85406338  0.06810721
   0.40645626  0.96361905  0.35664758
   0.44790559  0.92857339  0.17139159
   0.19817964  0.92975828  0.24304746
   0.28575897  0.67456212  0.44088464
   0.05202835  0.54841037  0.39699647
   0.29718189  0.38006489  0.51494720
   0.37664211  0.76175844  0.72067638
   0.07298828  0.79471376  0.49519872
   0.33946165  1.02081038  0.76295409
   0.50650179  0.96233500  0.62491747
   0.24399777  0.91137512  0.60151121
   0.22197912  0.76482198 -0.11770727
  -0.00473940  0.72182492  0.97950455
   0.67027800  0.03311241  0.06270805
   0.85527933  0.26018926  0.22372826
   0.58103056  0.27878262  0.00403800
   0.86938531  0.49363117  0.27458670
   0.00769932  0.48772338  0.12083091
   0.76095717  0.43614717  0.10858163
   0.69251215  0.25928251  0.37142410
   0.47281605  0.16360289  0.44733357
   0.71704268  0.06092906  0.51566120
   0.93790260  0.27456553  0.78624246
   0.63835304  0.30907176  0.56591233
   0.94524232  0.54244437  0.83650573
   1.11613921  0.56187407  0.59146699
   0.78326177  0.47300198  0.67911546
   0.74086319  0.13206469  0.88292535
   0.49287559  0.06466586  0.92231247
   0.53046407  0.53565473  0.04584125
   0.89396898  0.74670612  0.31450298
   0.57147748  0.80339084  0.03405264
   0.83320058  1.01981418  0.30857677
   0.96821997  0.88440041  0.17455123
   0.69724703  0.83857109  0.20097795
   0.79822732  0.58610176  0.46283100
   0.55437936  0.63361111  0.37592054
   0.56260330  0.55193558  0.54897768
   0.83591737  0.79023188  0.82147081
   0.66480219  0.81244671  0.51245688
   0.97526411  1.01131046  0.81945627
   1.01095982  0.83672511  0.67980916
   0.77914585  0.99102129  0.69236087
   0.75352513  0.60822292  0.96271371
   0.49098550  0.70052022  0.88880223
   0.68829968  0.77124940  0.67352922
   0.82169118  1.07015571  0.52978621
   1.14171154  0.30931093  0.30924322
   1.14319516  1.28531260  0.14839723
   0.15243576  0.27095435  0.18762757
   0.62518567  0.58670573  0.30350975
   0.28132292  1.33292839 -0.08783889
  -0.22223765  1.51295205  0.05924306
   0.74376303  0.41433205  0.86356586
   0.54895901  0.53587423  0.72400697
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802314    0.517600    0.084651
    -0.000000    9.786803    0.008000
    -0.000000    0.000000   13.713111
   Si   O    H 
    32    64    10
Direct configuration=  3800
   0.11881912  0.17714099  0.00381506
   0.34968199  0.11899106  0.38591717
   0.16258619  0.46113204  0.08917726
   0.38290899  0.35850685  0.24715810
   0.07213801  0.16985193  0.48706582
   0.35004293  0.09628867  0.86527181
   0.17520664  0.40404160  0.59068560
   0.35264206  0.39355119  0.75838171
   0.15505825  0.73734034 -0.01045959
   0.37859312  0.61580296  0.35777527
   0.11421449  0.94404083  0.14416573
   0.35525341  0.87837332  0.26057254
   0.13477400  0.63305557  0.48484826
   0.35480664  0.69215829  0.82473066
   0.08386127  0.90729721  0.58220389
   0.37054367  0.90965146  0.67427980
   0.63497920  0.11672573  0.97253558
   0.83051985  0.17663261  0.32685766
   0.59534631  0.39522059  0.08812826
   0.89401193  0.40777430  0.18435118
   0.62010311  0.20457151  0.47558627
   0.89663002  0.14786886  0.85634128
   0.61032828  0.44595397  0.64092508
   0.85081272  0.42342237  0.78630161
   0.58802697  0.66274081 -0.02171752
   0.89716445  0.59277220  0.36294145
   0.59602670  0.90317914  0.11967875
   0.84075589  0.87658989  0.25188308
   0.64644982  0.64825723  0.48701408
   0.87417068  0.66714162  0.89627088
   0.67089968  0.91111224  0.61434539
   0.88871314  0.90072739  0.74970861
   0.11788550  0.10968692  0.11227552
   0.35264728  0.19758551  0.28041000
   0.16818396  0.34420272 -0.00286327
   0.36374303  0.45791064  0.33285073
   0.53965941  0.35283081  0.19659565
   0.29283623  0.43948300  0.16422310
   0.21701471  0.11955070  0.44202448
  -0.03148804  0.21848877  0.39018007
   0.00081740  0.02809695  0.52616821
   0.35152283  0.28175650  0.86378764
   0.05767022  0.29410141  0.56443442
   0.32245022  0.52990362  0.81756954
   0.48366682  0.35032290  0.70018600
   0.21192538  0.36515975  0.70526788
   0.21848566  0.08349737 -0.06819398
  -0.04277741  0.19097577  0.96473698
   0.22234989  0.59294729  0.02560635
   0.36071611  0.71425753  0.25981591
   0.20433773  0.85473635  0.06832024
   0.40625880  0.96436293  0.35587010
   0.44555793  0.92852089  0.17038527
   0.19946386  0.92896105  0.24191488
   0.28585478  0.67208174  0.44018684
   0.04928551  0.54934208  0.39613338
   0.29744122  0.37963314  0.51414946
   0.37437982  0.76368552  0.72171679
   0.07355478  0.79389950  0.49471171
   0.33921410  1.02098683  0.76200076
   0.50495664  0.96172453  0.62463388
   0.24560541  0.91180289  0.60170689
   0.22188757  0.76705869 -0.11951068
  -0.00676358  0.71944544  0.97962505
   0.67080891  0.02981755  0.06170519
   0.85455983  0.26025979  0.22343651
   0.57906419  0.27922081  0.00238500
   0.87107654  0.49378902  0.27432635
   0.00688362  0.48894432  0.11982381
   0.76173368  0.43674580  0.10752253
   0.69305891  0.25821451  0.37117018
   0.47256247  0.16300189  0.44800802
   0.71511926  0.06076118  0.51577689
   0.93720104  0.27317950  0.78641197
   0.63866930  0.31000909  0.56569448
   0.94600276  0.54329154  0.83629325
   1.11584857  0.56157874  0.59094532
   0.78247146  0.47306588  0.68126055
   0.74285418  0.13087350  0.88173614
   0.49347595  0.06501377  0.92406684
   0.52998722  0.53607135  0.04596918
   0.89255904  0.74703777  0.31365993
   0.57096613  0.80224159  0.03314417
   0.83376098  1.02016284  0.30870535
   0.96894359  0.88435563  0.17494259
   0.69637679  0.83815956  0.20167148
   0.79640906  0.58806956  0.46268876
   0.55556009  0.63332350  0.37294212
   0.56219955  0.55100674  0.54785497
   0.83631208  0.78965545  0.82233860
   0.66451964  0.81175316  0.51249160
   0.97415725  1.01119906  0.81991546
   1.01149471  0.83747710  0.68079587
   0.77734979  0.98840932  0.69085549
   0.75282485  0.60744704  0.96285582
   0.48928541  0.69985876  0.88891607
   0.69347150  0.77209504  0.67341982
   0.82549502  1.07211148  0.52914715
   1.14147486  0.31009186  0.31042646
   1.13208064  1.30526638  0.12546185
   0.17988671  0.25112262  0.20977522
   0.60993410  0.59986553  0.31071007
   0.28887126  1.33054801 -0.08797791
  -0.21835238  1.51555820  0.05652974
   0.74704295  0.41335624  0.86531603
   0.54730197  0.54056391  0.72272455
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800478    0.514143    0.082094
    -0.000000    9.787627    0.007042
    -0.000000    0.000000   13.713523
   Si   O    H 
    32    64    10
Direct configuration=  3801
   0.11923027  0.17735531  0.00353193
   0.35070377  0.11875148  0.38564904
   0.16225664  0.46118508  0.08867234
   0.38475011  0.35722069  0.24708167
   0.07213002  0.17079429  0.48557862
   0.35051485  0.09679893  0.86566305
   0.17501863  0.40364186  0.59035507
   0.35345737  0.39387369  0.75864799
   0.15400456  0.73853377 -0.00986104
   0.37914172  0.61598230  0.35775044
   0.11364446  0.94576944  0.14447664
   0.35517011  0.87974072  0.26068363
   0.13510663  0.63345211  0.48587048
   0.35399008  0.69321291  0.82490276
   0.08530810  0.90601480  0.58162121
   0.36919294  0.90941018  0.67475664
   0.63422071  0.11731109  0.97234105
   0.83082126  0.17730420  0.32742292
   0.59508792  0.39765192  0.08771321
   0.89435168  0.40786909  0.18497420
   0.62111352  0.20459579  0.47535311
   0.89692320  0.14818427  0.85575537
   0.61007322  0.44600340  0.64125623
   0.85171284  0.42489492  0.78561699
   0.58856446  0.66214568 -0.02295009
   0.89707782  0.59255446  0.36262921
   0.59601637  0.90187113  0.11919121
   0.84051195  0.87529263  0.25159512
   0.64703372  0.64903892  0.48780671
   0.87291535  0.66820618  0.89576154
   0.66976368  0.91159776  0.61441914
   0.88925295  0.90066048  0.75059868
   0.11721972  0.10783966  0.11267429
   0.35247839  0.19858051  0.27890446
   0.16805227  0.34444955 -0.00326975
   0.36351234  0.45780604  0.33403109
   0.53884957  0.35462943  0.19451153
   0.29446923  0.44076023  0.16284991
   0.21518093  0.11843136  0.44204874
  -0.03228522  0.21644242  0.38973797
   0.00113020  0.02699270  0.52562161
   0.35031870  0.28219703  0.86361986
   0.05623547  0.29471759  0.56443431
   0.32265625  0.52915209  0.81842938
   0.48293170  0.34800687  0.70015893
   0.21150546  0.36428273  0.70496857
   0.21921296  0.08442481 -0.06701858
  -0.04224203  0.19295192  0.96534984
   0.22161371  0.59039094  0.02566158
   0.36067192  0.71373824  0.26007746
   0.20439162  0.85478765  0.06774209
   0.40663573  0.96535014  0.35535869
   0.44464818  0.92875910  0.16929226
   0.20061539  0.92855658  0.24122222
   0.28548249  0.66892371  0.44027280
   0.04735478  0.55101229  0.39525967
   0.29778237  0.37969236  0.51332783
   0.37227914  0.76506659  0.72244162
   0.07383571  0.79227714  0.49421260
   0.33852643  1.02140810  0.76140737
   0.50429264  0.96116038  0.62402561
   0.24635978  0.91221678  0.60155155
   0.22143086  0.76909014 -0.12120631
  -0.00880572  0.71699378  0.97972923
   0.67134077  0.02635344  0.06139815
   0.85335749  0.26013620  0.22353785
   0.57658562  0.27971713  0.00163436
   0.87167838  0.49442226  0.27449105
   0.00588475  0.49007796  0.11890348
   0.76210419  0.43743657  0.10625112
   0.69268233  0.25663695  0.37127466
   0.47234882  0.16278909  0.44909223
   0.71327799  0.06032582  0.51611097
   0.93615284  0.27085247  0.78660109
   0.63888700  0.31023316  0.56548246
   0.94661448  0.54394349  0.83597853
   1.11552143  0.56186658  0.58991862
   0.78170437  0.47192300  0.68357146
   0.74426043  0.12910804  0.88036123
   0.49344484  0.06436968  0.92549186
   0.52976116  0.53634254  0.04617618
   0.89072829  0.74679399  0.31280273
   0.57112280  0.80148247  0.03154612
   0.83417908  1.01984952  0.30882641
   0.96951609  0.88492446  0.17502924
   0.69612099  0.83864943  0.20255299
   0.79509748  0.58971249  0.46219101
   0.55753405  0.63362376  0.37023700
   0.56140432  0.54934291  0.54664974
   0.83620530  0.78919946  0.82293527
   0.66382967  0.81107154  0.51184079
   0.97258977  1.01083483  0.82004806
   1.01204995  0.83740563  0.68116684
   0.77571801  0.98688838  0.68942095
   0.75155502  0.60702065  0.96300539
   0.48791691  0.69988706  0.88917254
   0.69596977  0.77750616  0.67268301
   0.81966150  1.07026680  0.52648865
   1.13908582  0.30854685  0.30811103
   1.12154596  1.31766073  0.11746932
   0.19480637  0.24438527  0.22416075
   0.59447756  0.61456739  0.32172498
   0.29318621  1.32885796 -0.08499034
  -0.21385696  1.51415289  0.05587227
   0.75136623  0.41095850  0.86277643
   0.54855793  0.54800757  0.71839362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798486    0.510286    0.079232
    -0.000000    9.788344    0.006186
    -0.000000    0.000000   13.713918
   Si   O    H 
    32    64    10
Direct configuration=  3802
   0.11960783  0.17740986  0.00329005
   0.35254167  0.11818125  0.38539000
   0.16236465  0.46117002  0.08825471
   0.38674642  0.35621840  0.24626542
   0.07167169  0.17152107  0.48413198
   0.35229516  0.09674905  0.86607973
   0.17475129  0.40282718  0.58982682
   0.35364524  0.39403024  0.75891411
   0.15381243  0.73951228 -0.00908107
   0.37942516  0.61622424  0.35715195
   0.11372303  0.94706928  0.14497688
   0.35486212  0.88134796  0.26050057
   0.13574684  0.63396286  0.48659600
   0.35399573  0.69434773  0.82505383
   0.08635685  0.90414402  0.58104145
   0.36826387  0.90994028  0.67539994
   0.63334394  0.11850922  0.97154172
   0.83151062  0.17798413  0.32797114
   0.59454496  0.39951944  0.08734107
   0.89532948  0.40787347  0.18497575
   0.62248634  0.20484170  0.47518323
   0.89817364  0.14876032  0.85543897
   0.60939775  0.44565328  0.64173291
   0.85316554  0.42589415  0.78500731
   0.58878346  0.66180110 -0.02441455
   0.89701422  0.59233737  0.36299380
   0.59508291  0.90066248  0.11912571
   0.84027174  0.87443503  0.25128430
   0.64759326  0.64909757  0.48858745
   0.87194609  0.66882363  0.89549343
   0.66866439  0.91223092  0.61460784
   0.89006780  0.90093062  0.75165348
   0.11646750  0.10549247  0.11328206
   0.35254116  0.20023004  0.27801552
   0.16847671  0.34342723 -0.00382479
   0.36283827  0.45888693  0.33542177
   0.53802705  0.35565118  0.19272684
   0.29589961  0.44235051  0.16172911
   0.21385376  0.11807959  0.44184305
  -0.03252085  0.21396873  0.38947523
   0.00212381  0.02607754  0.52499680
   0.34945842  0.28235162  0.86294654
   0.05476131  0.29480295  0.56481642
   0.32376440  0.52965872  0.81997522
   0.48293961  0.34567868  0.70022592
   0.21156819  0.36422059  0.70484853
   0.21897094  0.08533562 -0.06571146
  -0.04183750  0.19475323  0.96542413
   0.22035919  0.58881759  0.02588756
   0.36031594  0.71295284  0.26038646
   0.20343816  0.85485824  0.06651480
   0.40666387  0.96589276  0.35475121
   0.44405067  0.92927386  0.16885988
   0.20220366  0.92842970  0.24112899
   0.28544969  0.66620920  0.44059264
   0.04646833  0.55277746  0.39480087
   0.29778052  0.37998340  0.51292075
   0.37074480  0.76603284  0.72306412
   0.07424066  0.79032659  0.49404271
   0.33856451  1.02219639  0.76103753
   0.50335180  0.96022276  0.62356739
   0.24635948  0.91354053  0.60204718
   0.22096109  0.77106402 -0.12234166
  -0.01066636  0.71475627  0.97983283
   0.67211628  0.02271958  0.06214108
   0.85297214  0.25928546  0.22389256
   0.57464471  0.28022038  0.00138529
   0.87180969  0.49615216  0.27506128
   0.00426668  0.49185222  0.11832682
   0.76218880  0.43813399  0.10459722
   0.69154696  0.25532692  0.37156811
   0.47247769  0.16259745  0.44992970
   0.71313223  0.05974967  0.51602049
   0.93502172  0.26893009  0.78655165
   0.63953427  0.31042996  0.56542991
   0.94768198  0.54453940  0.83515288
   1.11445371  0.56157983  0.58904559
   0.78010713  0.47076265  0.68560787
   0.74430343  0.12736768  0.87954149
   0.49341284  0.06510382  0.92713250
   0.52920661  0.53699798  0.04633027
   0.88848540  0.74687934  0.31250489
   0.57132314  0.80122658  0.03012660
   0.83477373  1.01928684  0.30950394
   0.97066095  0.88578113  0.17491666
   0.69658044  0.83922322  0.20342402
   0.79502475  0.59010322  0.46165680
   0.55749359  0.63468367  0.37109134
   0.56011195  0.54761473  0.54583960
   0.83609714  0.78815781  0.82363034
   0.66396775  0.80932533  0.51136288
   0.97091311  1.01008478  0.82026067
   1.01296583  0.83729319  0.68127606
   0.77368647  0.98570621  0.68772829
   0.75071675  0.60658079  0.96310480
   0.48723686  0.69917799  0.88951003
   0.69828792  0.78108862  0.67491382
   0.80627593  1.06397720  0.52651311
   1.13794940  0.30199175  0.29888241
   1.10956764  1.31867289  0.11685802
   0.19770952  0.24938284  0.24267364
   0.61170099  0.61405477  0.28778294
   0.29639460  1.32748066 -0.07973708
  -0.21255656  1.50880184  0.05498505
   0.75054200  0.40917014  0.85961022
   0.55531431  0.55479386  0.71274548
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796881    0.506766    0.076670
    -0.000000    9.789383    0.005939
    -0.000000    0.000000   13.714531
   Si   O    H 
    32    64    10
Direct configuration=  3803
   0.11976142  0.17784171  0.00314767
   0.35349858  0.11808569  0.38475147
   0.16341208  0.46087778  0.08743011
   0.38920325  0.35577372  0.24548649
   0.07094575  0.17202103  0.48307927
   0.35427519  0.09653713  0.86637380
   0.17426674  0.40254364  0.58953157
   0.35360730  0.39410584  0.75909102
   0.15375116  0.74037802 -0.00868184
   0.38013352  0.61649284  0.35627283
   0.11344884  0.94797100  0.14530412
   0.35474666  0.88321371  0.26068969
   0.13634637  0.63455057  0.48703057
   0.35411097  0.69526371  0.82506924
   0.08704750  0.90205449  0.58019374
   0.36710551  0.91072535  0.67659515
   0.63275468  0.11942302  0.97047152
   0.83179741  0.17843001  0.32855783
   0.59328386  0.40133750  0.08691106
   0.89647708  0.40765579  0.18493292
   0.62393028  0.20482613  0.47479302
   0.89934186  0.14894091  0.85478592
   0.60867591  0.44510633  0.64188789
   0.85452714  0.42583122  0.78492936
   0.58811959  0.66099919 -0.02561411
   0.89716331  0.59175769  0.36335396
   0.59402026  0.89976618  0.11976918
   0.83996500  0.87339103  0.25068448
   0.64791916  0.64929446  0.48908649
   0.87154647  0.66905183  0.89600711
   0.66671344  0.91250533  0.61463692
   0.89079619  0.90175050  0.75253698
   0.11597475  0.10394245  0.11349139
   0.35250089  0.20083631  0.27748003
   0.16939802  0.34155686 -0.00405072
   0.36216866  0.45913698  0.33620867
   0.53762093  0.35655548  0.19098233
   0.29612795  0.44403572  0.16061400
   0.21328722  0.11803653  0.44176577
  -0.03301065  0.21171158  0.38972575
   0.00339285  0.02522861  0.52465707
   0.34910290  0.28294052  0.86224702
   0.05346908  0.29380312  0.56543230
   0.32500085  0.53067052  0.82153731
   0.48279311  0.34415231  0.69993055
   0.21141682  0.36388501  0.70527408
   0.21869139  0.08570750 -0.06499362
  -0.04110030  0.19662473  0.96517900
   0.21866374  0.58793082  0.02582058
   0.36043922  0.71266273  0.26074756
   0.20196936  0.85520771  0.06507109
   0.40660058  0.96582613  0.35441833
   0.44400893  0.93061688  0.16851990
   0.20344800  0.92881602  0.24131187
   0.28546720  0.66426816  0.44159908
   0.04596525  0.55440853  0.39544356
   0.29727039  0.38034790  0.51281518
   0.36927787  0.76606334  0.72346842
   0.07476096  0.78870537  0.49396988
   0.33859589  1.02328539  0.76069175
   0.50319244  0.95950966  0.62259387
   0.24570526  0.91550716  0.60268925
   0.21961690  0.77258086 -0.12279676
  -0.01272499  0.71344486  0.98010997
   0.67206678  0.01948439  0.06371437
   0.85283407  0.25792212  0.22429789
   0.57301360  0.28048261  0.00139958
   0.87053720  0.49828875  0.27556995
   0.00172419  0.49462549  0.11825166
   0.76235220  0.43753854  0.10278978
   0.69030912  0.25412051  0.37204675
   0.47316556  0.16226067  0.45096987
   0.71222928  0.05910968  0.51579921
   0.93403541  0.26725527  0.78590624
   0.63971896  0.31088981  0.56522551
   0.94811566  0.54500490  0.83480336
   1.11279395  0.56141047  0.58872639
   0.77820195  0.46980997  0.68728572
   0.74408556  0.12533486  0.87894166
   0.49270007  0.06564350  0.92830015
   0.52825221  0.53783953  0.04626832
   0.88638343  0.74619347  0.31288320
   0.57146233  0.80167335  0.02938671
   0.83471690  1.01904870  0.30990117
   0.97189091  0.88770369  0.17463434
   0.69715430  0.84023601  0.20384914
   0.79541234  0.59107628  0.46103216
   0.55771366  0.63551614  0.37145675
   0.55834947  0.54713498  0.54519950
   0.83507395  0.78776241  0.82400467
   0.66505341  0.80897738  0.51116169
   0.97051656  1.00836816  0.82021649
   1.01339612  0.83812812  0.68104437
   0.77198328  0.98499203  0.68636062
   0.74958853  0.60698444  0.96353772
   0.48635594  0.69841524  0.88998586
   0.70260203  0.78735215  0.67649107
   0.80960351  1.05933819  0.52952908
   1.14456623  0.28759460  0.27994821
   1.10221997  1.31069437  0.11885777
   0.18444183  0.26543058  0.26588314
   0.62360385  0.61733093  0.26378043
   0.29839841  1.32581867 -0.07587217
  -0.21186655  1.50506620  0.05307964
   0.74529419  0.40784857  0.86026011
   0.56032154  0.56176730  0.70698346
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.795950    0.503192    0.074429
    -0.000000    9.790425    0.005502
    -0.000000    0.000000   13.715149
   Si   O    H 
    32    64    10
Direct configuration=  3804
   0.11942967  0.17861743  0.00338771
   0.35419885  0.11819413  0.38403053
   0.16489344  0.46039822  0.08654661
   0.39094455  0.35586776  0.24438804
   0.07015379  0.17217857  0.48186263
   0.35629625  0.09630707  0.86631464
   0.17453654  0.40229375  0.58936160
   0.35311943  0.39343402  0.75915080
   0.15357388  0.74069328 -0.00785613
   0.38021717  0.61709257  0.35513727
   0.11308817  0.94826673  0.14554412
   0.35536505  0.88473058  0.26120505
   0.13685168  0.63540095  0.48716252
   0.35450019  0.69603507  0.82529083
   0.08706072  0.89962302  0.57901124
   0.36597106  0.91202250  0.67744821
   0.63194552  0.12078345  0.96917122
   0.83261977  0.17870803  0.32914895
   0.59176979  0.40183467  0.08604259
   0.89761171  0.40735259  0.18477905
   0.62548283  0.20554046  0.47504872
   0.90096245  0.14915302  0.85423949
   0.60794960  0.44493522  0.64214888
   0.85578161  0.42508731  0.78539439
   0.58748014  0.66026154 -0.02665642
   0.89661475  0.59226461  0.36400242
   0.59287838  0.89886572  0.12035080
   0.83977526  0.87316642  0.25021566
   0.64821061  0.64950465  0.48942402
   0.87198197  0.66948908  0.89678079
   0.66502680  0.91194729  0.61460439
   0.89114931  0.90288315  0.75351596
   0.11563864  0.10287494  0.11317622
   0.35274996  0.20039444  0.27712894
   0.17131609  0.33995325 -0.00416643
   0.36213516  0.45757423  0.33703082
   0.53768338  0.35811006  0.18962357
   0.29669171  0.44547729  0.15965386
   0.21245224  0.11805810  0.44177148
  -0.03250385  0.21004297  0.39001998
   0.00494301  0.02472227  0.52466603
   0.34952956  0.28374034  0.86112320
   0.05256172  0.29298729  0.56618310
   0.32629370  0.53222888  0.82282850
   0.48334089  0.34238430  0.69987475
   0.21144974  0.36350812  0.70533294
   0.21788660  0.08552413 -0.06411821
  -0.04014190  0.19714067  0.96513298
   0.21692966  0.58775832  0.02539218
   0.36140721  0.71244051  0.26135127
   0.20072925  0.85567983  0.06347848
   0.40648867  0.96517366  0.35473033
   0.44425033  0.93209327  0.16819973
   0.20380016  0.92912038  0.24162743
   0.28425657  0.66172845  0.44245379
   0.04643864  0.55551684  0.39749787
   0.29734006  0.37980520  0.51312778
   0.36854016  0.76571464  0.72398108
   0.07517047  0.78700261  0.49432226
   0.33852236  1.02424020  0.76065455
   0.50342289  0.95833354  0.62215380
   0.24535782  0.91719607  0.60359066
   0.21888064  0.77440851 -0.12274378
  -0.01490514  0.71219756  0.97983968
   0.67280722  0.01595608  0.06464391
   0.85307498  0.25717032  0.22427820
   0.57127417  0.28082282  0.00202788
   0.86869589  0.49973828  0.27610520
  -0.00140520  0.49775172  0.11921430
   0.76235367  0.43644071  0.10158118
   0.68997881  0.25268311  0.37224533
   0.47430061  0.16150468  0.45190400
   0.71131306  0.05737216  0.51554589
   0.93356180  0.26715818  0.78525686
   0.63999480  0.31168106  0.56496884
   0.94830013  0.54501838  0.83452095
   1.11132797  0.56123014  0.58854991
   0.77602272  0.46850133  0.68847432
   0.74269952  0.12332328  0.87906505
   0.49171984  0.06544788  0.92906858
   0.52671953  0.53929144  0.04605708
   0.88432465  0.74561631  0.31353685
   0.57214994  0.80180178  0.02872752
   0.83468163  1.01937569  0.30997801
   0.97229716  0.88874576  0.17410976
   0.69743288  0.84124416  0.20385314
   0.79676773  0.59104517  0.45990376
   0.55790104  0.63642371  0.37148268
   0.55611077  0.54668513  0.54496877
   0.83375575  0.78753473  0.82359962
   0.66640254  0.80886713  0.51064852
   0.97084374  1.00729838  0.82011870
   1.01348078  0.83849824  0.68053330
   0.77127806  0.98508850  0.68486650
   0.74843394  0.60767983  0.96353240
   0.48625113  0.69815487  0.89035901
   0.70764519  0.78712786  0.67875988
   0.81620595  1.05792627  0.53377531
   1.10913149  0.30793077  0.27224552
   1.09647587  1.30429587  0.12974131
   0.20634789  0.25941418  0.27211605
   0.62847269  0.61941777  0.24978955
   0.29800371  1.32400037 -0.07555450
  -0.21207977  1.50405228  0.04696751
   0.74352380  0.40880263  0.85949845
   0.56953839  0.56691862  0.70303932
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794576    0.499756    0.072436
    -0.000000    9.791545    0.005388
    -0.000000    0.000000   13.716006
   Si   O    H 
    32    64    10
Direct configuration=  3805
   0.11935702  0.17990497  0.00342117
   0.35513881  0.11837615  0.38326448
   0.16627888  0.45992882  0.08586317
   0.39250495  0.35611186  0.24366208
   0.06937472  0.17251031  0.48090818
   0.35817606  0.09637643  0.86604406
   0.17548762  0.40166136  0.58918112
   0.35242405  0.39295320  0.75945079
   0.15364293  0.74137004 -0.00747660
   0.38101008  0.61776837  0.35434055
   0.11344798  0.94862151  0.14651396
   0.35639508  0.88567964  0.26193332
   0.13765688  0.63654806  0.48723858
   0.35455958  0.69642023  0.82529518
   0.08684819  0.89725308  0.57772960
   0.36576407  0.91301104  0.67823464
   0.63078053  0.12241278  0.96847986
   0.83254898  0.17917745  0.32955953
   0.58990823  0.40230948  0.08552016
   0.89830984  0.40629390  0.18437575
   0.62675772  0.20598345  0.47558908
   0.90207122  0.14912303  0.85394515
   0.60622094  0.44388624  0.64234382
   0.85713662  0.42500222  0.78559272
   0.58647041  0.65951517 -0.02765134
   0.89618243  0.59275021  0.36494134
   0.59266632  0.89759688  0.12088586
   0.83913619  0.87351283  0.24970239
   0.64827148  0.64998732  0.48960089
   0.87309892  0.66987342  0.89750520
   0.66362168  0.91122725  0.61412771
   0.89130381  0.90368344  0.75438927
   0.11450601  0.10235927  0.11265090
   0.35423530  0.19962034  0.27658063
   0.17369090  0.33795535 -0.00395342
   0.36180857  0.45553700  0.33749821
   0.53865591  0.35931263  0.18922245
   0.29715040  0.44621579  0.15908626
   0.21200463  0.11855177  0.44233748
  -0.03202347  0.20873433  0.39007954
   0.00580492  0.02503128  0.52471566
   0.35039002  0.28481999  0.85960388
   0.05225345  0.29271853  0.56677293
   0.32787469  0.53413543  0.82339986
   0.48388552  0.34033493  0.69971067
   0.21217613  0.36319154  0.70458561
   0.21779945  0.08538878 -0.06378609
  -0.03856884  0.19750048  0.96541460
   0.21557280  0.58718575  0.02417574
   0.36236457  0.71390955  0.26179949
   0.19929415  0.85668607  0.06211476
   0.40695126  0.96480913  0.35498341
   0.44471847  0.93424632  0.16783709
   0.20322850  0.92877487  0.24190809
   0.28346673  0.65970573  0.44323373
   0.04782937  0.55665595  0.39992044
   0.29775383  0.37951044  0.51310118
   0.36774193  0.76560282  0.72478125
   0.07575648  0.78543479  0.49457967
   0.33807466  1.02447025  0.76097927
   0.50405267  0.95695233  0.62171352
   0.24499462  0.91922406  0.60503053
   0.21833102  0.77543638 -0.12262555
  -0.01604296  0.71139656  0.97955795
   0.67263721  0.01368769  0.06488217
   0.85430193  0.25619152  0.22361889
   0.57037549  0.28187479  0.00246609
   0.86733581  0.50052006  0.27683925
  -0.00448418  0.50107575  0.12020423
   0.76303732  0.43532215  0.10052160
   0.69023711  0.25136407  0.37219209
   0.47482776  0.16095660  0.45248094
   0.71022423  0.05623205  0.51551668
   0.93242298  0.26785861  0.78458081
   0.64111328  0.31231340  0.56449161
   0.94851840  0.54493157  0.83433427
   1.11060264  0.56031728  0.58904273
   0.77423079  0.46743326  0.68937438
   0.74166897  0.12220192  0.87930594
   0.49070811  0.06472166  0.92984617
   0.52551676  0.54191937  0.04573881
   0.88287385  0.74477039  0.31376060
   0.57239203  0.80133456  0.02837890
   0.83479784  1.01953106  0.30977028
   0.97163774  0.88935407  0.17332392
   0.69768113  0.84188589  0.20381284
   0.79823985  0.59046459  0.45836676
   0.55762184  0.63708479  0.37150357
   0.55332338  0.54677738  0.54495045
   0.83284798  0.78753721  0.82361445
   0.66715611  0.80893630  0.51010616
   0.97159000  1.00662991  0.82055197
   1.01326209  0.83952567  0.67966509
   0.77139981  0.98594126  0.68427282
   0.74721391  0.60893251  0.96286879
   0.48598046  0.69838083  0.89084740
   0.70817013  0.78765170  0.67995232
   0.81611580  1.05716222  0.53381166
   1.09199020  0.32198419  0.26200305
   1.09059359  1.30109771  0.14625964
   0.20987458  0.26541960  0.27326223
   0.62991047  0.62039328  0.24175701
   0.30278632  1.31801360 -0.07763565
  -0.21533499  1.50559096  0.04140562
   0.74554331  0.40657514  0.86054431
   0.57597425  0.56717470  0.70204784
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.793409    0.496153    0.070129
    -0.000000    9.792864    0.004994
    -0.000000    0.000000   13.716716
   Si   O    H 
    32    64    10
Direct configuration=  3806
   0.11922401  0.18088864  0.00334247
   0.35546755  0.11899549  0.38293347
   0.16805212  0.45900385  0.08517322
   0.39331114  0.35690973  0.24278992
   0.06837447  0.17302954  0.48027042
   0.35928361  0.09680658  0.86610440
   0.17635172  0.40021879  0.58895593
   0.35134998  0.39278397  0.75999624
   0.15362853  0.74061292 -0.00731167
   0.38145126  0.61816349  0.35385392
   0.11377317  0.94795224  0.14734308
   0.35708863  0.88639324  0.26253464
   0.13799415  0.63740698  0.48680305
   0.35451513  0.69657020  0.82593171
   0.08612096  0.89538401  0.57688374
   0.36603277  0.91450610  0.67821288
   0.62954274  0.12375645  0.96769858
   0.83232930  0.17922961  0.32952316
   0.58859894  0.40238477  0.08503812
   0.89882778  0.40563427  0.18408694
   0.62811982  0.20641029  0.47653201
   0.90253894  0.14950595  0.85436810
   0.60503257  0.44363297  0.64289797
   0.85765484  0.42532961  0.78541025
   0.58566036  0.65881293 -0.02832174
   0.89584866  0.59277546  0.36548892
   0.59224695  0.89591719  0.12127555
   0.83946422  0.87401774  0.24955902
   0.64819951  0.65018045  0.48924142
   0.87470226  0.66955051  0.89832170
   0.66249721  0.91027565  0.61379648
   0.89142901  0.90459571  0.75510884
   0.11483110  0.10121376  0.11157629
   0.35572520  0.19796316  0.27640197
   0.17572168  0.33586174 -0.00396046
   0.36085854  0.45365940  0.33719979
   0.53923360  0.36031980  0.18871491
   0.29740815  0.44570618  0.15884582
   0.21252510  0.11939860  0.44203020
  -0.03202428  0.20820715  0.39013921
   0.00577355  0.02637778  0.52431550
   0.35196087  0.28447740  0.85850290
   0.05275887  0.29125237  0.56742559
   0.32949689  0.53598293  0.82409578
   0.48456200  0.33887540  0.69975583
   0.21328368  0.36452337  0.70392219
   0.21799082  0.08629592 -0.06348660
  -0.03734255  0.19794370  0.96555562
   0.21379887  0.58661204  0.02294634
   0.36280104  0.71556832  0.26246600
   0.19691773  0.85845769  0.06109480
   0.40736394  0.96421235  0.35536675
   0.44568106  0.93639944  0.16762061
   0.20190340  0.92857517  0.24231715
   0.28330440  0.65849360  0.44420863
   0.04879823  0.55750337  0.40230931
   0.29803114  0.37920120  0.51272052
   0.36780017  0.76589810  0.72546191
   0.07613380  0.78402779  0.49510372
   0.33659978  1.02533198  0.76221337
   0.50467876  0.95541131  0.62142316
   0.24389178  0.92206164  0.60601579
   0.21738010  0.77607090 -0.12198921
  -0.01687422  0.71202879  0.97903249
   0.67282877  0.01336669  0.06444879
   0.85536243  0.25500614  0.22297753
   0.57011837  0.28259820  0.00317966
   0.86627589  0.50017528  0.27736449
  -0.00659055  0.50363880  0.12102463
   0.76415741  0.43570296  0.09895407
   0.69085766  0.25003985  0.37195032
   0.47536005  0.16069083  0.45317372
   0.71029888  0.05500631  0.51555776
   0.93097017  0.26888429  0.78311817
   0.64188378  0.31278397  0.56345090
   0.94946794  0.54446022  0.83396351
   1.11075066  0.55980578  0.58955433
   0.77346136  0.46641994  0.68996635
   0.74038215  0.12063130  0.87963490
   0.48950554  0.06356351  0.93064483
   0.52405891  0.54493243  0.04517585
   0.88090043  0.74441814  0.31408647
   0.57180713  0.80090174  0.02744427
   0.83532841  1.01989099  0.30922513
   0.97107042  0.88931761  0.17236437
   0.69777275  0.84238815  0.20324531
   0.79872482  0.58990794  0.45712295
   0.55822809  0.63720743  0.37109419
   0.55071606  0.54648243  0.54501250
   0.83211040  0.78786259  0.82321139
   0.66754804  0.80962800  0.51066258
   0.97216905  1.00541810  0.82061545
   1.01292570  0.84018623  0.67840917
   0.77248298  0.98773033  0.68350491
   0.74592517  0.61040339  0.96186107
   0.48544923  0.69837597  0.89107555
   0.70102642  0.78478800  0.67822490
   0.80558987  1.05799614  0.53011902
   1.07872771  0.33069605  0.24762081
   1.08716572  1.29751300  0.16743810
   0.20334473  0.27636025  0.27017366
   0.63076500  0.62015815  0.23947799
   0.30782791  1.31369427 -0.07659953
  -0.22010678  1.50313149  0.03917146
   0.74860570  0.40383313  0.86101141
   0.57932852  0.56864253  0.70320581
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.792087    0.492412    0.068632
    -0.000000    9.794079    0.004666
    -0.000000    0.000000   13.717611
   Si   O    H 
    32    64    10
Direct configuration=  3807
   0.11880298  0.18192422  0.00289312
   0.35604489  0.11900065  0.38264077
   0.16900140  0.45845832  0.08445354
   0.39366159  0.35776441  0.24167911
   0.06757698  0.17284946  0.47962778
   0.35937499  0.09739315  0.86625437
   0.17709031  0.39750816  0.58887006
   0.35027415  0.39277110  0.76052510
   0.15314526  0.73991229 -0.00756461
   0.38207035  0.61809238  0.35335084
   0.11384862  0.94678816  0.14817055
   0.35799394  0.88666265  0.26298488
   0.13750575  0.63757497  0.48678827
   0.35427409  0.69740595  0.82674073
   0.08493475  0.89368566  0.57673583
   0.36645246  0.91576862  0.67794065
   0.62891008  0.12552357  0.96697412
   0.83228327  0.17955768  0.32917380
   0.58711282  0.40273442  0.08436696
   0.89905267  0.40529029  0.18448233
   0.62945308  0.20692248  0.47758873
   0.90303176  0.14989989  0.85493075
   0.60390222  0.44318039  0.64377891
   0.85834370  0.42563660  0.78513870
   0.58535389  0.65821123 -0.02810706
   0.89635271  0.59320143  0.36572932
   0.59230499  0.89449856  0.12116635
   0.84007477  0.87421555  0.24955870
   0.64786435  0.65035704  0.48871419
   0.87609824  0.66905891  0.89934373
   0.66172668  0.90917377  0.61313895
   0.89129593  0.90548609  0.75533705
   0.11452860  0.09998320  0.11041104
   0.35740648  0.19693844  0.27617228
   0.17772679  0.33399280 -0.00415643
   0.36148670  0.45191958  0.33662970
   0.53911297  0.36178377  0.18831146
   0.29738291  0.44525755  0.15846261
   0.21359175  0.12053892  0.44097013
  -0.03231287  0.20820035  0.39019975
   0.00568942  0.02740299  0.52379184
   0.35421137  0.28334993  0.85732392
   0.05351197  0.28934165  0.56815702
   0.33159707  0.53679471  0.82452969
   0.48558996  0.33814240  0.70025739
   0.21397159  0.36521381  0.70337495
   0.21898637  0.08756587 -0.06385847
  -0.03639213  0.19807355  0.96517106
   0.21142619  0.58696092  0.02185293
   0.36322612  0.71722931  0.26282102
   0.19523962  0.86090438  0.06043204
   0.40784641  0.96276451  0.35653206
   0.44655786  0.93900434  0.16724735
   0.20004880  0.92901805  0.24283370
   0.28265165  0.65695934  0.44520344
   0.05019352  0.55817139  0.40421296
   0.29866503  0.37806651  0.51203007
   0.36821109  0.76647758  0.72548595
   0.07629011  0.78402202  0.49550673
   0.33543300  1.02681426  0.76374158
   0.50547665  0.95463957  0.62178983
   0.24124812  0.92487748  0.60642555
   0.21618121  0.77666013 -0.12162767
  -0.01692278  0.71267826  0.97808636
   0.67227492  0.01419177  0.06351462
   0.85716064  0.25389879  0.22243235
   0.57045120  0.28341076  0.00370218
   0.86424795  0.49962214  0.27768589
  -0.00771768  0.50538124  0.12101401
   0.76421891  0.43672818  0.09722696
   0.69150208  0.24918709  0.37183639
   0.47600627  0.16121550  0.45408029
   0.70995294  0.05355787  0.51573131
   0.92991940  0.26989759  0.78139712
   0.64282496  0.31387419  0.56284724
   0.95038641  0.54345734  0.83410882
   1.11036857  0.56034040  0.59016708
   0.77262167  0.46509677  0.69010164
   0.73913274  0.11887742  0.87978977
   0.48747500  0.06271570  0.93112911
   0.52288738  0.54677218  0.04466383
   0.87934457  0.74342484  0.31469469
   0.57149121  0.79964231  0.02695705
   0.83564112  1.01981625  0.30858693
   0.97081228  0.88953102  0.17157077
   0.69687727  0.84347358  0.20284452
   0.79974847  0.58968589  0.45573331
   0.55896945  0.63686450  0.37067944
   0.54870022  0.54656998  0.54499408
   0.83118580  0.78792151  0.82300311
   0.66846895  0.81088519  0.51148949
   0.97254947  1.00571346  0.82115124
   1.01360246  0.84022325  0.67787769
   0.77344842  0.98879026  0.68346005
   0.74470639  0.61213272  0.96088771
   0.48489707  0.69802021  0.89098007
   0.69137580  0.78468882  0.67616414
   0.80151948  1.06283680  0.52513106
   1.06548857  0.33661257  0.23607385
   1.08578846  1.29329985  0.18798942
   0.18818455  0.28936617  0.26602472
   0.63301231  0.62122701  0.23856784
   0.31104282  1.30985052 -0.07558281
  -0.22149319  1.49878145  0.04087624
   0.75247926  0.39821219  0.85976312
   0.58185623  0.56582917  0.70599566
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791048    0.488814    0.066992
    -0.000000    9.795422    0.004035
    -0.000000    0.000000   13.718782
   Si   O    H 
    32    64    10
Direct configuration=  3808
   0.11815925  0.18227492  0.00226627
   0.35665661  0.11971815  0.38230490
   0.17009763  0.45767759  0.08367998
   0.39388105  0.35805774  0.24036449
   0.06633343  0.17210606  0.47908390
   0.35866135  0.09834504  0.86632685
   0.17839983  0.39529469  0.58857050
   0.35011685  0.39321395  0.76075321
   0.15211202  0.73871986 -0.00794521
   0.38278554  0.61831443  0.35308525
   0.11349561  0.94554013  0.14933071
   0.35866422  0.88697516  0.26288830
   0.13754185  0.63723474  0.48669091
   0.35363973  0.69790684  0.82722491
   0.08423592  0.89207551  0.57705290
   0.36680230  0.91703588  0.67749151
   0.62847593  0.12726435  0.96653896
   0.83293658  0.17923250  0.32878813
   0.58620362  0.40336107  0.08378705
   0.89943616  0.40452186  0.18506689
   0.63121659  0.20773433  0.47863626
   0.90295156  0.15058867  0.85554983
   0.60318952  0.44280344  0.64506970
   0.85895901  0.42575432  0.78515107
   0.58507575  0.65743628 -0.02743810
   0.89675276  0.59354909  0.36591465
   0.59305066  0.89337091  0.12066393
   0.84121021  0.87449051  0.24965736
   0.64762904  0.65086875  0.48799474
   0.87743138  0.66891110  0.90017102
   0.66151908  0.90808743  0.61295185
   0.89154749  0.90577112  0.75509552
   0.11433714  0.10049622  0.10888991
   0.35839965  0.19618974  0.27605048
   0.17914972  0.33269043 -0.00367886
   0.36203828  0.45060384  0.33592936
   0.53993632  0.36197950  0.18812761
   0.29706312  0.44490896  0.15794444
   0.21593688  0.12164387  0.43995491
  -0.03288783  0.20880122  0.39064520
   0.00503480  0.02922667  0.52330227
   0.35616574  0.28138879  0.85644448
   0.05375779  0.28712914  0.56862576
   0.33321220  0.53654028  0.82452470
   0.48704983  0.33711242  0.70031153
   0.21440549  0.36620882  0.70311862
   0.22089613  0.08947450 -0.06444734
  -0.03575956  0.19715202  0.96488724
   0.20898193  0.58722536  0.02133435
   0.36310157  0.71867384  0.26314697
   0.19314690  0.86179058  0.05968465
   0.40836047  0.96168360  0.35769215
   0.44771873  0.94122555  0.16696332
   0.19855602  0.92892009  0.24362473
   0.28262905  0.65595398  0.44598759
   0.05173740  0.55883238  0.40579939
   0.29834677  0.37738478  0.51163115
   0.36852687  0.76824607  0.72493040
   0.07647676  0.78403828  0.49502760
   0.33438144  1.02841892  0.76518427
   0.50569402  0.95436798  0.62310908
   0.23881694  0.92753111  0.60611793
   0.21552383  0.77690427 -0.12097096
  -0.01610288  0.71357592  0.97750379
   0.67168077  0.01664157  0.06243616
   0.85840807  0.25361327  0.22213469
   0.57092444  0.28370451  0.00432670
   0.86196291  0.49851196  0.27743899
  -0.00776182  0.50681357  0.12079232
   0.76370566  0.43782145  0.09510629
   0.69208952  0.24812161  0.37216922
   0.47751068  0.16211502  0.45516223
   0.70815361  0.05181543  0.51546089
   0.92870821  0.27087742  0.78020231
   0.64363249  0.31482183  0.56207182
   0.95086764  0.54227411  0.83409307
   1.10992827  0.56054338  0.59056195
   0.77124602  0.46344533  0.68975366
   0.73810734  0.11773759  0.87991428
   0.48545976  0.06232278  0.93155791
   0.52187807  0.54765240  0.04386858
   0.87864460  0.74293488  0.31495561
   0.57085168  0.80019265  0.02667541
   0.83449323  1.01948452  0.30753758
   0.96961813  0.88991568  0.17133087
   0.69584087  0.84450167  0.20281466
   0.79972982  0.58965075  0.45550462
   0.55934716  0.63740909  0.37056183
   0.54692083  0.54723739  0.54439687
   0.82996167  0.78764395  0.82334524
   0.66951247  0.81218540  0.51191995
   0.97389926  1.00611655  0.82224143
   1.01381224  0.84002344  0.67734372
   0.77440804  0.99049686  0.68367396
   0.74316467  0.61354813  0.95936343
   0.48458119  0.69750982  0.89062594
   0.68035567  0.78321651  0.67761320
   0.81327997  1.06932236  0.52268973
   1.05880820  0.33918452  0.22527899
   1.08106487  1.28880661  0.20683500
   0.17357996  0.30048432  0.26396021
   0.63329700  0.62114220  0.23938847
   0.31512935  1.30979087 -0.07833038
  -0.22040174  1.49617367  0.04214338
   0.75261743  0.39186454  0.86005796
   0.58140481  0.56566863  0.70989324
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790208    0.484860    0.065660
    -0.000000    9.796288    0.004149
    -0.000000    0.000000   13.719898
   Si   O    H 
    32    64    10
Direct configuration=  3809
   0.11710727  0.18256775  0.00144150
   0.35713350  0.11999369  0.38262918
   0.17106560  0.45734380  0.08296491
   0.39326361  0.35849547  0.23926155
   0.06506032  0.17092322  0.47903996
   0.35822568  0.09888015  0.86604955
   0.17933244  0.39313462  0.58816430
   0.34938149  0.39405949  0.76088354
   0.15155465  0.73674175 -0.00888259
   0.38374311  0.61830934  0.35299019
   0.11261943  0.94459180  0.15010417
   0.35958621  0.88639410  0.26235669
   0.13769089  0.63635983  0.48713350
   0.35257497  0.69833558  0.82788082
   0.08292407  0.89068138  0.57734189
   0.36694535  0.91864542  0.67681265
   0.62778981  0.12848123  0.96645241
   0.83331676  0.17891417  0.32788146
   0.58579284  0.40408088  0.08312945
   0.89924508  0.40423568  0.18590669
   0.63277513  0.20838811  0.47977714
   0.90234554  0.15090298  0.85600292
   0.60224791  0.44223285  0.64608282
   0.85852047  0.42532416  0.78562330
   0.58532863  0.65670423 -0.02666694
   0.89785668  0.59446327  0.36634804
   0.59373185  0.89271989  0.11971165
   0.84239177  0.87449423  0.24978992
   0.64655595  0.65153561  0.48673891
   0.87876526  0.66863636  0.90054881
   0.66108133  0.90647591  0.61268026
   0.89128305  0.90598440  0.75471886
   0.11418341  0.10132506  0.10761482
   0.35912395  0.19573761  0.27574177
   0.18001351  0.33224019 -0.00324229
   0.36291884  0.44967629  0.33524463
   0.54144840  0.36264684  0.18825360
   0.29646269  0.44458724  0.15694344
   0.21807797  0.12304786  0.43897435
  -0.03410266  0.20917021  0.39106562
   0.00525810  0.03082406  0.52288409
   0.35816578  0.27994811  0.85614858
   0.05307817  0.28449323  0.56852825
   0.33458342  0.53570128  0.82414780
   0.48829276  0.33659716  0.70101576
   0.21447545  0.36761018  0.70386167
   0.22316787  0.09141101 -0.06538691
  -0.03499485  0.19633904  0.96450361
   0.20711344  0.58744899  0.02097439
   0.36369769  0.72041952  0.26321105
   0.19085090  0.86254516  0.05961313
   0.40873977  0.96126469  0.35880379
   0.44791922  0.94347352  0.16632713
   0.19762074  0.92962767  0.24538204
   0.28507491  0.65500855  0.44628274
   0.05327389  0.55974372  0.40700811
   0.29761620  0.37697968  0.51133337
   0.36951413  0.77025054  0.72407200
   0.07649761  0.78409696  0.49482542
   0.33331012  1.02984876  0.76664330
   0.50523710  0.95494940  0.62450462
   0.23584657  0.92976149  0.60503312
   0.21450996  0.77742400 -0.12021219
  -0.01485852  0.71440267  0.97774240
   0.67128041  0.01858536  0.06096272
   0.85850473  0.25335321  0.22152048
   0.57177384  0.28356727  0.00480324
   0.85939877  0.49729270  0.27725630
  -0.00604909  0.50825243  0.11969355
   0.76307446  0.43904150  0.09316691
   0.69259622  0.24653812  0.37245057
   0.47896696  0.16333906  0.45695592
   0.70627630  0.05097516  0.51526553
   0.92758490  0.27166011  0.77860886
   0.64386039  0.31652972  0.56141660
   0.95091643  0.54091561  0.83380861
   1.10973663  0.55986544  0.59132219
   0.76996473  0.46075165  0.68951569
   0.73836748  0.11605551  0.87999615
   0.48430300  0.06151253  0.93234603
   0.52149322  0.54872085  0.04297196
   0.87798405  0.74318518  0.31511629
   0.57005755  0.80110393  0.02605933
   0.83372495  1.02002210  0.30635485
   0.96770267  0.88918491  0.17109430
   0.69546172  0.84533334  0.20336489
   0.79942588  0.58985707  0.45518464
   0.55914268  0.63810656  0.37036876
   0.54578941  0.54731763  0.54310824
   0.82889152  0.78701491  0.82358213
   0.67033429  0.81302079  0.51214780
   0.97495580  1.00684276  0.82346851
   1.01336843  0.84034540  0.67714293
   0.77615447  0.99136532  0.68420021
   0.74213495  0.61527360  0.95828667
   0.48483947  0.69641032  0.88987028
   0.66713207  0.78016320  0.68109771
   0.82047878  1.06604318  0.52075529
   1.03758605  0.37609454  0.22972424
   1.09243082  1.25111623  0.21033357
   0.16051068  0.31155888  0.26258302
   0.63576765  0.62207417  0.24175438
   0.32013762  1.31441042 -0.08180565
  -0.21256626  1.49961991  0.03656185
   0.75277179  0.38896821  0.85973976
   0.58024514  0.56199477  0.71452124
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789357    0.481417    0.064226
    -0.000000    9.797249    0.004464
    -0.000000    0.000000   13.720910
   Si   O    H 
    32    64    10
Direct configuration=  3810
   0.11594209  0.18271154  0.00077343
   0.35826838  0.11978419  0.38319245
   0.17108721  0.45669529  0.08204295
   0.39202284  0.35881569  0.23838972
   0.06361968  0.16936519  0.47921381
   0.35793239  0.09913114  0.86620817
   0.18008487  0.39096135  0.58776368
   0.34874096  0.39478630  0.76114633
   0.15093987  0.73506589 -0.00957281
   0.38540995  0.61772807  0.35320366
   0.11190628  0.94322576  0.15052853
   0.36113237  0.88535924  0.26202684
   0.13861173  0.63550840  0.48779274
   0.35084637  0.69880643  0.82849730
   0.08166154  0.88944325  0.57753775
   0.36686828  0.91997647  0.67624753
   0.62735435  0.12959674  0.96674065
   0.83384999  0.17826544  0.32639351
   0.58534824  0.40485204  0.08267140
   0.89898504  0.40396187  0.18669357
   0.63425791  0.20873847  0.48075122
   0.90160790  0.15083552  0.85664733
   0.60166144  0.44139578  0.64680125
   0.85708630  0.42528517  0.78628564
   0.58574785  0.65721461 -0.02587270
   0.89854433  0.59518734  0.36648455
   0.59370407  0.89243782  0.11909638
   0.84352243  0.87433475  0.24989107
   0.64529723  0.65171715  0.48555458
   0.88030194  0.66835131  0.90063796
   0.66127537  0.90490950  0.61226520
   0.89066538  0.90644650  0.75406265
   0.11396955  0.10240930  0.10623294
   0.36034412  0.19542547  0.27523346
   0.18011419  0.33251509 -0.00227129
   0.36393318  0.44947301  0.33391741
   0.54253822  0.36286223  0.18831113
   0.29642483  0.44504216  0.15554412
   0.21900207  0.12537717  0.43856976
  -0.03609675  0.21025706  0.39178073
   0.00567813  0.03111787  0.52224569
   0.35995689  0.27856955  0.85535262
   0.05200310  0.28196214  0.56784182
   0.33591255  0.53470689  0.82372340
   0.48941469  0.33681905  0.70189527
   0.21419565  0.36945292  0.70447165
   0.22504856  0.09283097 -0.06639507
  -0.03387753  0.19491773  0.96395650
   0.20601304  0.58816108  0.02037511
   0.36478752  0.72190990  0.26330640
   0.18917685  0.86282786  0.05911785
   0.40952559  0.96131836  0.35883389
   0.44821826  0.94466294  0.16624002
   0.19629934  0.93087152  0.24718358
   0.28775715  0.65440270  0.44607322
   0.05460130  0.56000082  0.40794879
   0.29747126  0.37685331  0.51142927
   0.37083310  0.77177382  0.72298050
   0.07643356  0.78364220  0.49410191
   0.33207422  1.03094786  0.76726702
   0.50457309  0.95578312  0.62600422
   0.23348903  0.93212048  0.60458198
   0.21369587  0.77711188 -0.11996271
  -0.01435993  0.71583790  0.97848095
   0.67056118  0.02088005  0.05983237
   0.85817566  0.25349943  0.22085549
   0.57336181  0.28378732  0.00474528
   0.85664099  0.49585065  0.27731467
  -0.00361146  0.50907126  0.11857657
   0.76247945  0.43895008  0.09151790
   0.69326855  0.24488759  0.37312029
   0.47988010  0.16387338  0.45839731
   0.70542509  0.05187841  0.51454624
   0.92707586  0.27126174  0.77754312
   0.64419407  0.31870341  0.56110743
   0.95067949  0.54062724  0.83349796
   1.10988283  0.55998332  0.59201897
   0.76857128  0.45891839  0.68988741
   0.73888485  0.11524817  0.88011453
   0.48394144  0.06042406  0.93323915
   0.52163134  0.54839233  0.04244332
   0.87785589  0.74376740  0.31498229
   0.56946337  0.80201164  0.02526810
   0.83282612  1.02101404  0.30567953
   0.96452224  0.88836397  0.17139752
   0.69490813  0.84590857  0.20368336
   0.79847117  0.58940714  0.45539549
   0.55874706  0.63843408  0.37003306
   0.54586898  0.54776015  0.54224954
   0.82783912  0.78692603  0.82360531
   0.67002228  0.81469050  0.51214929
   0.97551006  1.00682673  0.82457543
   1.01300310  0.84059110  0.67732026
   0.77871176  0.99119747  0.68457657
   0.74142586  0.61675515  0.95776082
   0.48426710  0.69554627  0.88870410
   0.65308324  0.78191808  0.68429283
   0.81726538  1.05910192  0.51861393
   1.03594989  0.39317577  0.23302878
   1.11644772  1.23482741  0.22330291
   0.13060741  0.31199082  0.25156957
   0.63518299  0.61911039  0.24496766
   0.32339866  1.32361120 -0.08181889
  -0.20173241  1.50036066  0.03122017
   0.75255177  0.38711163  0.85910539
   0.57350062  0.55667760  0.71828064
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788692    0.477453    0.063337
    -0.000000    9.798351    0.005099
    -0.000000    0.000000   13.721605
   Si   O    H 
    32    64    10
Direct configuration=  3811
   0.11510729  0.18239034  0.00032403
   0.35938210  0.11969358  0.38371061
   0.17005289  0.45664072  0.08109034
   0.39072485  0.35852543  0.23729148
   0.06257141  0.16785291  0.47966410
   0.35800873  0.09945400  0.86671875
   0.18031276  0.38953208  0.58749643
   0.34855127  0.39482708  0.76091819
   0.15043934  0.73369982 -0.01052794
   0.38728244  0.61654547  0.35345109
   0.11182078  0.94187753  0.15050326
   0.36288608  0.88399353  0.26135727
   0.13986149  0.63422261  0.48862227
   0.34826797  0.69918961  0.82902459
   0.08046694  0.88880896  0.57748959
   0.36607007  0.92139650  0.67594861
   0.62717978  0.13039819  0.96712870
   0.83429237  0.17849568  0.32540987
   0.58542351  0.40581420  0.08221763
   0.89894097  0.40352882  0.18719443
   0.63497024  0.20878031  0.48171721
   0.90116697  0.15078280  0.85749792
   0.60059245  0.44064922  0.64735203
   0.85584485  0.42514802  0.78692110
   0.58595633  0.65817081 -0.02514046
   0.89958812  0.59550512  0.36612469
   0.59344368  0.89303420  0.11833634
   0.84456852  0.87401116  0.25006711
   0.64385449  0.65122665  0.48425800
   0.88165157  0.66783114  0.90081039
   0.66024975  0.90327773  0.61211253
   0.89032915  0.90659880  0.75350033
   0.11377084  0.10286256  0.10526770
   0.36187570  0.19627204  0.27488141
   0.17965488  0.33296725 -0.00057916
   0.36461858  0.44945853  0.33214296
   0.54329926  0.36242727  0.18904357
   0.29584426  0.44444281  0.15415606
   0.21867318  0.12716485  0.43842001
  -0.03831287  0.21166149  0.39212159
   0.00582559  0.03082571  0.52229797
   0.36128487  0.27663052  0.85455104
   0.05144490  0.28052604  0.56714544
   0.33794137  0.53374175  0.82343891
   0.48929809  0.33812234  0.70268223
   0.21290983  0.37124417  0.70535867
   0.22663006  0.09411474 -0.06736078
  -0.03417760  0.19413321  0.96323313
   0.20597089  0.58876164  0.02025326
   0.36551644  0.72264606  0.26316452
   0.18732919  0.86322632  0.05892947
   0.41152240  0.96177468  0.35871985
   0.44829587  0.94635662  0.16637734
   0.19619102  0.93174377  0.24899355
   0.29010983  0.65374449  0.44562941
   0.05571772  0.55987949  0.40822012
   0.29755438  0.37682454  0.51144006
   0.37313862  0.77392163  0.72193919
   0.07692448  0.78332306  0.49398988
   0.33203920  1.03169818  0.76743808
   0.50379450  0.95766278  0.62722573
   0.23193692  0.93424032  0.60443450
   0.21309908  0.77583648 -0.11958680
  -0.01372631  0.71759811  0.97916632
   0.66978082  0.02330418  0.05858517
   0.85839428  0.25366438  0.22029554
   0.57495588  0.28436786  0.00496981
   0.85410324  0.49415370  0.27762164
  -0.00131675  0.50969080  0.11755835
   0.76252192  0.43920128  0.09022768
   0.69438682  0.24417838  0.37377901
   0.47977085  0.16456907  0.45959751
   0.70565210  0.05220323  0.51388607
   0.92697858  0.27043004  0.77646486
   0.64420994  0.32163866  0.56128785
   0.95038565  0.53991678  0.83326976
   1.11127715  0.55903783  0.59263633
   0.76808978  0.45735110  0.69017417
   0.74010751  0.11506823  0.88046713
   0.48386164  0.05894453  0.93334187
   0.52230114  0.54757190  0.04173689
   0.87751528  0.74393293  0.31527490
   0.56897480  0.80197302  0.02496113
   0.83285583  1.02165087  0.30517899
   0.96090170  0.88811787  0.17193029
   0.69430774  0.84567964  0.20394387
   0.79735409  0.58921805  0.45561599
   0.55828854  0.63954299  0.36926916
   0.54620574  0.54818848  0.54159440
   0.82629249  0.78613435  0.82369435
   0.66987143  0.81597734  0.51172885
   0.97668395  1.00598036  0.82612475
   1.01175022  0.84029166  0.67795640
   0.78156438  0.99089622  0.68492546
   0.74141236  0.61777087  0.95735652
   0.48461828  0.69455253  0.88791783
   0.64470550  0.78618729  0.68669368
   0.80409186  1.05311024  0.51787700
   1.03878078  0.40129759  0.23259623
   1.13830558  1.22743969  0.23514991
   0.10725443  0.30297853  0.24318555
   0.63672088  0.61524386  0.25215701
   0.32435687  1.33130041 -0.08423983
  -0.19610565  1.49624007  0.02981293
   0.75166404  0.38670588  0.85790364
   0.56720393  0.55036007  0.71835718
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788469    0.473765    0.062384
    -0.000000    9.799553    0.006061
    -0.000000    0.000000   13.722473
   Si   O    H 
    32    64    10
Direct configuration=  3812
   0.11473857  0.18167845  0.00002693
   0.36110731  0.11937407  0.38404490
   0.16827434  0.45619304  0.08058787
   0.38907382  0.35880933  0.23626712
   0.06156933  0.16675859  0.47974871
   0.35866425  0.09990718  0.86699483
   0.18058548  0.38873749  0.58739149
   0.34885639  0.39521866  0.76075453
   0.15049114  0.73216698 -0.01146288
   0.38906602  0.61586982  0.35334322
   0.11177140  0.94094809  0.15004804
   0.36438261  0.88377524  0.26068323
   0.14099874  0.63305391  0.48977203
   0.34569738  0.69944728  0.82905318
   0.07945519  0.88921784  0.57744425
   0.36486986  0.92322613  0.67570688
   0.62624937  0.13101596  0.96741042
   0.83483933  0.17893848  0.32437412
   0.58653666  0.40688072  0.08197268
   0.89835467  0.40355662  0.18751837
   0.63525549  0.20898783  0.48292156
   0.90037558  0.15072050  0.85858452
   0.59988502  0.44003697  0.64793216
   0.85449436  0.42429442  0.78780715
   0.58606612  0.65956483 -0.02440113
   0.90068586  0.59526539  0.36542580
   0.59251836  0.89374711  0.11751961
   0.84572186  0.87382858  0.25092207
   0.64174919  0.65143043  0.48333214
   0.88201184  0.66743583  0.90128505
   0.65919589  0.90149918  0.61185004
   0.88934968  0.90638327  0.75287501
   0.11394619  0.10339237  0.10477579
   0.36315443  0.19827709  0.27390187
   0.17983853  0.33293791  0.00141973
   0.36575446  0.44995308  0.33002353
   0.54388841  0.36195985  0.18978886
   0.29506139  0.44284332  0.15312588
   0.21701749  0.12972554  0.43886100
  -0.04099287  0.21376493  0.39205057
   0.00630272  0.02962971  0.52325116
   0.36215001  0.27539301  0.85400037
   0.05121019  0.27935659  0.56588812
   0.33940337  0.53343273  0.82326084
   0.48956073  0.34041898  0.70386858
   0.21175461  0.37275160  0.70578109
   0.22811307  0.09539704 -0.06839252
  -0.03504613  0.19312871  0.96264341
   0.20594426  0.58822669  0.02035432
   0.36546529  0.72222958  0.26317278
   0.18550163  0.86319713  0.05829528
   0.41330541  0.96146307  0.35847661
   0.44774997  0.94732414  0.16636659
   0.19602895  0.93216417  0.25073522
   0.29229252  0.65375054  0.44476707
   0.05565897  0.55909519  0.40794916
   0.29670093  0.37642152  0.51093417
   0.37434317  0.77530885  0.72138917
   0.07640897  0.78366910  0.49435797
   0.33238894  1.03228463  0.76689538
   0.50289122  0.95890766  0.62793353
   0.23047737  0.93561350  0.60431151
   0.21312558  0.77453440 -0.11911110
  -0.01372776  0.71917621  0.97952714
   0.66869375  0.02682573  0.05789045
   0.85855083  0.25416167  0.21960188
   0.57650384  0.28451116  0.00493267
   0.85165752  0.49296470  0.27860693
   0.00148150  0.50950003  0.11615380
   0.76269024  0.44047237  0.08878995
   0.69578502  0.24435242  0.37488528
   0.47898952  0.16519681  0.46085157
   0.70639627  0.05251555  0.51324611
   0.92677852  0.26952572  0.77584973
   0.64481919  0.32415553  0.56128510
   0.95015163  0.54008996  0.83217507
   1.11296744  0.55755201  0.59279145
   0.76753430  0.45576794  0.68986630
   0.74153052  0.11484296  0.88115680
   0.48383081  0.05805369  0.93346066
   0.52178236  0.54565758  0.04118626
   0.87785634  0.74382764  0.31586423
   0.56895809  0.80195555  0.02487150
   0.83357596  1.02147060  0.30447486
   0.95711997  0.88769773  0.17223095
   0.69414875  0.84565352  0.20405883
   0.79657635  0.58875007  0.45633449
   0.55784167  0.64053491  0.36863975
   0.54667343  0.54953730  0.54117264
   0.82476879  0.78575795  0.82378697
   0.67030140  0.81648003  0.51171178
   0.97687574  1.00559824  0.82793044
   1.01034039  0.84004370  0.67917259
   0.78373244  0.99019926  0.68537405
   0.74304306  0.61819117  0.95678029
   0.48539451  0.69359464  0.88745376
   0.63856436  0.78882082  0.68614723
   0.79745465  1.04829310  0.51976207
   1.03412915  0.40672820  0.23078008
   1.16292023  1.22023033  0.24631918
   0.09123992  0.29235274  0.24153294
   0.63551898  0.60939584  0.26199671
   0.32507690  1.33263591 -0.08899807
  -0.19312739  1.48727552  0.03323182
   0.74920943  0.38752126  0.85859159
   0.55980599  0.55020233  0.72157010
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788508    0.470067    0.061530
    -0.000000    9.800829    0.007598
    -0.000000    0.000000   13.723461
   Si   O    H 
    32    64    10
Direct configuration=  3813
   0.11466949  0.18091239 -0.00024207
   0.36315135  0.11854919  0.38425778
   0.16635773  0.45537546  0.08046817
   0.38764629  0.35933041  0.23530943
   0.06118221  0.16541778  0.48011451
   0.35952128  0.10005113  0.86717610
   0.18023703  0.38796706  0.58751808
   0.34928546  0.39602494  0.76061233
   0.14972945  0.73100596 -0.01299071
   0.39150080  0.61487879  0.35346774
   0.11163594  0.93976241  0.14929139
   0.36585150  0.88388815  0.25978911
   0.14222125  0.63129792  0.49086310
   0.34291650  0.69922609  0.82855383
   0.07856397  0.89042110  0.57786308
   0.36341656  0.92515794  0.67528480
   0.62495760  0.13137206  0.96769289
   0.83510623  0.17944249  0.32302541
   0.58808849  0.40794359  0.08172785
   0.89737484  0.40385332  0.18773692
   0.63527775  0.20961382  0.48449133
   0.89956936  0.15079671  0.85905012
   0.59931648  0.43964156  0.64804254
   0.85338009  0.42317144  0.78857254
   0.58630708  0.66047568 -0.02357308
   0.90205247  0.59499490  0.36493811
   0.59224614  0.89527350  0.11664379
   0.84565541  0.87329500  0.25149081
   0.63995823  0.65183564  0.48248702
   0.88199535  0.66720881  0.90152422
   0.65802204  0.90071350  0.61190786
   0.88812735  0.90637085  0.75246598
   0.11414982  0.10399567  0.10474000
   0.36375780  0.20063912  0.27266875
   0.18024919  0.33362448  0.00359520
   0.36705063  0.45102153  0.32852920
   0.54418062  0.36137876  0.18973898
   0.29440392  0.44095442  0.15300293
   0.21458865  0.13193467  0.43905292
  -0.04251298  0.21651802  0.39136619
   0.00750614  0.02750201  0.52409481
   0.36341702  0.27474945  0.85335083
   0.05048891  0.27835058  0.56548144
   0.33924883  0.53311994  0.82340865
   0.48991016  0.34223157  0.70508743
   0.21084704  0.37411414  0.70603283
   0.22909312  0.09704812 -0.06943124
  -0.03660813  0.19197363  0.96203830
   0.20620260  0.58799345  0.02064850
   0.36464619  0.72125742  0.26278454
   0.18360878  0.86244021  0.05765521
   0.41391757  0.96137457  0.35870159
   0.44751017  0.94782172  0.16646048
   0.19592271  0.93204869  0.25204324
   0.29429820  0.65427994  0.44346518
   0.05541491  0.55872925  0.40719827
   0.29608794  0.37700211  0.51030878
   0.37515280  0.77560597  0.72145353
   0.07586690  0.78487920  0.49447244
   0.33253545  1.03366589  0.76659531
   0.50204797  0.95961973  0.62861316
   0.22904679  0.93758148  0.60434318
   0.21319427  0.77337808 -0.11890942
  -0.01389900  0.72106698  0.97961110
   0.66772216  0.03022959  0.05722476
   0.85845000  0.25429732  0.21845892
   0.57790086  0.28386294  0.00512657
   0.84890034  0.49339014  0.27984775
   0.00418307  0.50888176  0.11484806
   0.76293449  0.44122806  0.08800179
   0.69651753  0.24464040  0.37586427
   0.47818892  0.16608265  0.46208679
   0.70691072  0.05181642  0.51276076
   0.92640705  0.26782069  0.77557970
   0.64626090  0.32525825  0.56130980
   0.95017216  0.53992601  0.83156421
   1.11390917  0.55615101  0.59277797
   0.76803087  0.45382893  0.68957104
   0.74195148  0.11450921  0.88185563
   0.48391631  0.05709655  0.93362766
   0.52125166  0.54399727  0.04070408
   0.87798976  0.74383189  0.31683314
   0.56912142  0.80252240  0.02474359
   0.83358318  1.02049957  0.30390287
   0.95402874  0.88664910  0.17200732
   0.69453607  0.84534211  0.20386772
   0.79580419  0.58769522  0.45658481
   0.55742946  0.64111625  0.36823221
   0.54712783  0.55063179  0.54066998
   0.82312408  0.78509938  0.82406568
   0.67034068  0.81660917  0.51136529
   0.97756589  1.00521085  0.82979350
   1.00842318  0.83986060  0.68036335
   0.78620968  0.98993798  0.68581685
   0.74523054  0.61927948  0.95568483
   0.48707894  0.69315369  0.88737973
   0.63679519  0.78966696  0.68490106
   0.81158736  1.04345003  0.52439803
   1.03990920  0.40543593  0.22802645
   1.18208406  1.22691717  0.25419035
   0.07961416  0.27408807  0.24101488
   0.63430571  0.60578820  0.27616363
   0.32889182  1.33042355 -0.09303001
  -0.19231460  1.47794923  0.03866880
   0.74990029  0.38663264  0.86147037
   0.55401070  0.55244810  0.72319983
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788331    0.466376    0.060710
    -0.000000    9.801827    0.009130
    -0.000000    0.000000   13.724060
   Si   O    H 
    32    64    10
Direct configuration=  3814
   0.11491458  0.17938130 -0.00075105
   0.36475073  0.11780808  0.38440429
   0.16463269  0.45466417  0.08040044
   0.38607395  0.35996082  0.23423270
   0.06131678  0.16514464  0.48016840
   0.35985709  0.10038409  0.86744692
   0.18013303  0.38726914  0.58731468
   0.35023123  0.39627580  0.76084763
   0.14893323  0.73074195 -0.01409798
   0.39400100  0.61377761  0.35349516
   0.11157815  0.93873271  0.14831515
   0.36748143  0.88461263  0.25879293
   0.14392511  0.62955695  0.49210720
   0.34047210  0.69898453  0.82743483
   0.07729259  0.89205300  0.57860739
   0.36196128  0.92655102  0.67503430
   0.62386725  0.13198715  0.96794696
   0.83562869  0.17992350  0.32198266
   0.58922862  0.40868119  0.08134749
   0.89614015  0.40464028  0.18786665
   0.63503299  0.21008512  0.48573656
   0.89892695  0.15104183  0.85908787
   0.59889026  0.43999224  0.64817653
   0.85211858  0.42230310  0.78915324
   0.58677689  0.66121699 -0.02273626
   0.90342444  0.59452839  0.36475526
   0.59197144  0.89674620  0.11540483
   0.84547239  0.87246939  0.25246194
   0.63820336  0.65216093  0.48162798
   0.88184711  0.66778254  0.90170640
   0.65729744  0.90003455  0.61184762
   0.88757851  0.90621499  0.75257258
   0.11491047  0.10418709  0.10482725
   0.36342868  0.20323106  0.27185777
   0.18064510  0.33360039  0.00587014
   0.36800646  0.45278324  0.32735975
   0.54399056  0.36117515  0.18974468
   0.29431272  0.43922731  0.15297085
   0.21269427  0.13395608  0.43860465
  -0.04425569  0.21914865  0.39016957
   0.00845753  0.02456713  0.52530114
   0.36411159  0.27372789  0.85301776
   0.04991022  0.27792717  0.56550327
   0.33952979  0.53257573  0.82394065
   0.49063581  0.34339034  0.70606858
   0.20992937  0.37464270  0.70671044
   0.22867263  0.09975824 -0.07008332
  -0.03826245  0.19012331  0.96202833
   0.20699895  0.58769885  0.02119774
   0.36429189  0.71934092  0.26263084
   0.18184625  0.86107887  0.05707959
   0.41540028  0.96085787  0.35872977
   0.44750760  0.94813738  0.16631894
   0.19596578  0.93181501  0.25292119
   0.29591556  0.65481019  0.44256547
   0.05482590  0.55807802  0.40648872
   0.29560316  0.37726432  0.51067776
   0.37467004  0.77556655  0.72255388
   0.07575651  0.78597793  0.49350662
   0.33350354  1.03460720  0.76616514
   0.50180939  0.96027989  0.62884845
   0.22876431  0.93909189  0.60463138
   0.21354807  0.77269943 -0.11789092
  -0.01407488  0.72278137  0.97952720
   0.66667791  0.03394358  0.05672963
   0.85731360  0.25414585  0.21775713
   0.57890223  0.28347524  0.00479030
   0.84563506  0.49381719  0.28121766
   0.00659775  0.50769930  0.11344475
   0.76219443  0.44120246  0.08893760
   0.69768598  0.24515163  0.37746396
   0.47754777  0.16716363  0.46328377
   0.70818664  0.05121542  0.51270075
   0.92577889  0.26572485  0.77599787
   0.64781933  0.32645041  0.56144312
   0.95094764  0.53957591  0.83098553
   1.11554798  0.55508660  0.59301738
   0.76878200  0.45192444  0.68981190
   0.74154036  0.11460751  0.88230716
   0.48406285  0.05638444  0.93336127
   0.52024136  0.54226178  0.04035263
   0.87800586  0.74362452  0.31792378
   0.56948391  0.80418380  0.02514655
   0.83358320  1.02014993  0.30402973
   0.95199715  0.88557179  0.17081899
   0.69490086  0.84498367  0.20345096
   0.79442145  0.58671566  0.45667483
   0.55832086  0.64131682  0.36776833
   0.54699813  0.55177524  0.54014260
   0.82137139  0.78420869  0.82412252
   0.67063083  0.81587906  0.51063831
   0.97832504  1.00500142  0.83137284
   1.00664649  0.83978571  0.68154718
   0.78795077  0.98961705  0.68566760
   0.74681849  0.62016293  0.95528233
   0.48834468  0.69314211  0.88731920
   0.64062625  0.79239183  0.68416963
   0.81665930  1.04299856  0.52800879
   1.05315980  0.39354399  0.22822887
   1.19184268  1.23731739  0.25628909
   0.07533190  0.26122190  0.24312872
   0.62825665  0.60135204  0.29489669
   0.32981188  1.32790066 -0.09391497
  -0.18079854  1.47996725  0.02931732
   0.75318137  0.38789627  0.86574726
   0.55227764  0.55303590  0.72209381
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788261    0.462812    0.060301
    -0.000000    9.802569    0.010374
    -0.000000    0.000000   13.724770
   Si   O    H 
    32    64    10
Direct configuration=  3815
   0.11532953  0.17827577 -0.00065286
   0.36605018  0.11742897  0.38469708
   0.16260263  0.45463682  0.08071697
   0.38490432  0.36008984  0.23331203
   0.06085804  0.16553835  0.48028555
   0.36071538  0.10109634  0.86739098
   0.17967113  0.38674203  0.58700213
   0.35092780  0.39641836  0.76116964
   0.14819709  0.73082590 -0.01474003
   0.39571503  0.61317544  0.35320533
   0.11109266  0.93834584  0.14746357
   0.36793555  0.88526803  0.25810801
   0.14530996  0.62765109  0.49302030
   0.33855062  0.69837014  0.82644132
   0.07592893  0.89366065  0.57915920
   0.36055839  0.92786177  0.67477127
   0.62310750  0.13241278  0.96840932
   0.83613071  0.18056122  0.32110418
   0.59056339  0.40931592  0.08131697
   0.89578968  0.40585908  0.18784780
   0.63429009  0.21079346  0.48690711
   0.89749669  0.15140266  0.85935582
   0.59930180  0.44026839  0.64830839
   0.85122167  0.42184519  0.78960220
   0.58733802  0.66233222 -0.02229171
   0.90428802  0.59388690  0.36512667
   0.59136930  0.89884236  0.11369955
   0.84482405  0.87191909  0.25347543
   0.63708703  0.65284500  0.48160049
   0.88128499  0.66896925  0.90174427
   0.65668313  0.89977784  0.61188262
   0.88775107  0.90567381  0.75281873
   0.11597366  0.10406724  0.10506293
   0.36357314  0.20539704  0.27162008
   0.18158542  0.33306952  0.00725179
   0.36880560  0.45504282  0.32633615
   0.54292678  0.36128291  0.19001701
   0.29378166  0.43716979  0.15347491
   0.21065457  0.13572394  0.43848328
  -0.04464388  0.22061296  0.38938591
   0.00843978  0.02179797  0.52541088
   0.36528503  0.27324845  0.85263406
   0.04954917  0.27767367  0.56564094
   0.33994994  0.53164974  0.82438242
   0.49136831  0.34428519  0.70698285
   0.20952097  0.37469819  0.70661742
   0.22868941  0.10158701 -0.07062622
  -0.03945851  0.18875487  0.96216526
   0.20711376  0.58728838  0.02201527
   0.36408051  0.71693301  0.26276475
   0.17984177  0.85952607  0.05734602
   0.41699457  0.95950139  0.35855389
   0.44788437  0.94846626  0.16647211
   0.19581008  0.93215520  0.25330503
   0.29771787  0.65484127  0.44213569
   0.05350950  0.55787481  0.40515912
   0.29530292  0.37744085  0.51127195
   0.37504475  0.77514694  0.72427475
   0.07535789  0.78728082  0.49230250
   0.33402312  1.03618748  0.76583580
   0.50147117  0.96150664  0.62860495
   0.22856154  0.94078614  0.60418514
   0.21440319  0.77249995 -0.11722183
  -0.01452312  0.72480369  0.97855586
   0.66502128  0.03657825  0.05627329
   0.85661763  0.25393501  0.21691016
   0.57888960  0.28354703  0.00424633
   0.84277838  0.49514172  0.28310809
   0.00778065  0.50625915  0.11277607
   0.76289716  0.44077554  0.08957087
   0.69876328  0.24567998  0.37879224
   0.47794995  0.16712962  0.46372121
   0.71092412  0.05010628  0.51246945
   0.92494101  0.26344656  0.77619219
   0.64952515  0.32767019  0.56059453
   0.95186250  0.53929897  0.83071362
   1.11776196  0.55326848  0.59284637
   0.76891127  0.45048144  0.69078618
   0.74094416  0.11501770  0.88242472
   0.48456286  0.05538855  0.93268937
   0.51958658  0.54103195  0.04054081
   0.87850050  0.74345735  0.31934927
   0.57003623  0.80640326  0.02516209
   0.83321092  1.01906046  0.30443420
   0.95075505  0.88418610  0.16889199
   0.69539482  0.84386062  0.20288599
   0.79358341  0.58518297  0.45735506
   0.56003160  0.64057512  0.36721321
   0.54716031  0.55308607  0.53923499
   0.81960117  0.78350633  0.82388481
   0.67066872  0.81389077  0.50933089
   0.97873257  1.00488351  0.83241562
   1.00595556  0.84007434  0.68175443
   0.78947093  0.98874488  0.68525762
   0.74759039  0.62015065  0.95523377
   0.48910649  0.69285982  0.88748107
   0.64527568  0.79105343  0.68530374
   0.81212463  1.04447184  0.53018629
   1.06142975  0.37232813  0.22969044
   1.18987578  1.24467967  0.25677009
   0.08496385  0.25914964  0.24825855
   0.62191111  0.59883899  0.31537623
   0.33082647  1.32352730 -0.09169496
  -0.17523503  1.47890848  0.02606027
   0.75633184  0.38831518  0.87144057
   0.55262057  0.55375668  0.71721324
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788067    0.458802    0.060112
    -0.000000    9.803693    0.011716
    -0.000000    0.000000   13.725278
   Si   O    H 
    32    64    10
Direct configuration=  3816
   0.11604278  0.17729365 -0.00058297
   0.36734344  0.11728406  0.38498079
   0.16125996  0.45543521  0.08105827
   0.38414381  0.35920320  0.23217017
   0.06048434  0.16611969  0.48014765
   0.36101704  0.10194444  0.86731575
   0.17870908  0.38659334  0.58690814
   0.35117681  0.39658150  0.76122370
   0.14797527  0.73109197 -0.01511561
   0.39686860  0.61280123  0.35283389
   0.11075281  0.93765287  0.14653818
   0.36817709  0.88572141  0.25805857
   0.14641188  0.62562425  0.49380176
   0.33676076  0.69821055  0.82588974
   0.07472319  0.89571967  0.58019967
   0.35920201  0.92929069  0.67481167
   0.62202662  0.13231483  0.96870572
   0.83698391  0.18088923  0.32034354
   0.59160806  0.40906109  0.08108685
   0.89575845  0.40762035  0.18737250
   0.63368868  0.21117648  0.48724461
   0.89712522  0.15129192  0.85918587
   0.59999816  0.44092643  0.64861087
   0.85046890  0.42119832  0.78999901
   0.58770437  0.66342127 -0.02263157
   0.90514361  0.59326764  0.36547814
   0.59122491  0.90144714  0.11225463
   0.84484221  0.87079864  0.25459127
   0.63728400  0.65406576  0.48153279
   0.88060022  0.67026361  0.90153211
   0.65690298  0.89994728  0.61235761
   0.88859746  0.90518285  0.75312325
   0.11688335  0.10406162  0.10572870
   0.36328790  0.20763404  0.27181943
   0.18265414  0.33171124  0.00787377
   0.36904412  0.45798330  0.32547089
   0.54172252  0.36130781  0.19014671
   0.29347862  0.43622276  0.15359822
   0.20937633  0.13661171  0.43830602
  -0.04432954  0.22135674  0.38924621
   0.00897642  0.01960764  0.52563614
   0.36679421  0.27326906  0.85231181
   0.04880991  0.27743581  0.56668994
   0.34020936  0.53062357  0.82452941
   0.49264725  0.34485161  0.70697396
   0.20963231  0.37469273  0.70688256
   0.22756324  0.10309619 -0.07038620
  -0.04090494  0.18809373  0.96264230
   0.20723993  0.58766902  0.02254030
   0.36376242  0.71491589  0.26253332
   0.17837234  0.85687745  0.05834416
   0.41811065  0.95786777  0.35849402
   0.44878704  0.94849693  0.16690498
   0.19539244  0.93294613  0.25377077
   0.29949051  0.65504773  0.44170405
   0.05180274  0.55748314  0.40357502
   0.29456878  0.37755821  0.51137133
   0.37522154  0.77475330  0.72579720
   0.07543782  0.78795173  0.49142908
   0.33464223  1.03735207  0.76489089
   0.50078488  0.96317135  0.62883208
   0.22810852  0.94245212  0.60434833
   0.21449679  0.77307980 -0.11735043
  -0.01605952  0.72634217  0.97693850
   0.66379656  0.03797114  0.05629893
   0.85646243  0.25357568  0.21535863
   0.57923881  0.28446931  0.00372844
   0.83986407  0.49558527  0.28473997
   0.00892251  0.50448668  0.11269598
   0.76464154  0.44004486  0.08969629
   0.70058329  0.24572166  0.38043083
   0.47823676  0.16634580  0.46376935
   0.71363674  0.04894565  0.51219475
   0.92437416  0.26172304  0.77687251
   0.65165644  0.32935540  0.56015934
   0.95224055  0.53952463  0.83080630
   1.12026374  0.55124935  0.59232994
   0.76937113  0.44939812  0.69133794
   0.74067882  0.11446144  0.88223129
   0.48592220  0.05420309  0.93211015
   0.51907601  0.53997371  0.04080787
   0.87858493  0.74274109  0.32140808
   0.57060842  0.80887759  0.02500198
   0.83171391  1.01755493  0.30477675
   0.95155947  0.88268545  0.16629689
   0.69572609  0.84391078  0.20209055
   0.79214853  0.58404541  0.45728453
   0.56156647  0.63859142  0.36649531
   0.54726837  0.55483441  0.53877351
   0.81763930  0.78325544  0.82351388
   0.66983625  0.81153330  0.50779411
   0.97857916  1.00544395  0.83324815
   1.00600967  0.83994243  0.68200985
   0.79008015  0.98795903  0.68434178
   0.74858213  0.62016575  0.95537248
   0.48929733  0.69280161  0.88779875
   0.65146561  0.78987879  0.68818855
   0.80421954  1.04337397  0.52954203
   1.06562792  0.35098680  0.23072638
   1.17837221  1.25003672  0.25791269
   0.10471031  0.25870865  0.25646995
   0.61231458  0.59889208  0.33445941
   0.33267371  1.31973628 -0.08470516
  -0.18174728  1.47832424  0.03275787
   0.76358985  0.38866413  0.87624768
   0.55458230  0.55520335  0.70916847
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788242    0.454034    0.060286
    -0.000000    9.805132    0.013227
    -0.000000    0.000000   13.726236
   Si   O    H 
    32    64    10
Direct configuration=  3817
   0.11717075  0.17658218 -0.00047091
   0.36772626  0.11737746  0.38541877
   0.15997856  0.45617121  0.08152630
   0.38423862  0.35848064  0.23100568
   0.05979914  0.16656008  0.48022541
   0.36143823  0.10282386  0.86708106
   0.17807186  0.38612732  0.58741815
   0.35148212  0.39593732  0.76128711
   0.14734327  0.73164802 -0.01554471
   0.39752719  0.61247804  0.35277241
   0.11021907  0.93732987  0.14576199
   0.36800919  0.88609883  0.25826684
   0.14736615  0.62443584  0.49410815
   0.33596290  0.69798990  0.82537396
   0.07387659  0.89768443  0.58163333
   0.35786495  0.93094832  0.67517170
   0.62134669  0.13172215  0.96864977
   0.83750880  0.18134759  0.31961891
   0.59287243  0.40862896  0.08087591
   0.89616377  0.40897992  0.18728921
   0.63262496  0.21178868  0.48810034
   0.89641504  0.15132213  0.85901378
   0.60077450  0.44188646  0.64836790
   0.84996738  0.42091328  0.79058035
   0.58786112  0.66435358 -0.02319806
   0.90562455  0.59263416  0.36591552
   0.59142400  0.90370849  0.11139166
   0.84444401  0.87003786  0.25543278
   0.63835251  0.65558186  0.48147508
   0.87993864  0.67168757  0.90103191
   0.65677486  0.90025775  0.61307929
   0.88906891  0.90519386  0.75390929
   0.11861302  0.10365534  0.10639716
   0.36403293  0.20977608  0.27247109
   0.18355109  0.32941403  0.00776716
   0.36918692  0.46110055  0.32454800
   0.54137450  0.36153041  0.18982438
   0.29395166  0.43550081  0.15359461
   0.20910327  0.13638779  0.43767525
  -0.04418153  0.22182100  0.38937136
   0.00885995  0.01842995  0.52638056
   0.36886570  0.27277067  0.85191073
   0.04843117  0.27730224  0.56737646
   0.33992348  0.52980635  0.82486581
   0.49389091  0.34607606  0.70734390
   0.21016111  0.37562494  0.70674683
   0.22624332  0.10511302 -0.06965627
  -0.04216991  0.18751659  0.96336393
   0.20647454  0.58752965  0.02323873
   0.36454922  0.71316303  0.26221325
   0.17689140  0.85450368  0.05868032
   0.41875866  0.95659934  0.35835850
   0.44888652  0.94881896  0.16765447
   0.19585470  0.93394836  0.25404573
   0.30110874  0.65530072  0.44127312
   0.05035803  0.55669466  0.40227772
   0.29417181  0.37711384  0.51139705
   0.37497539  0.77462331  0.72686684
   0.07626514  0.78736440  0.49044402
   0.33604470  1.03845800  0.76388397
   0.50062188  0.96472914  0.62871507
   0.22816804  0.94430124  0.60438187
   0.21448947  0.77318084 -0.11764502
  -0.01769470  0.72931625  0.97555772
   0.66274844  0.03835883  0.05703020
   0.85581040  0.25330121  0.21434060
   0.57929832  0.28593281  0.00374117
   0.83769024  0.49677382  0.28548391
   0.00866861  0.50291217  0.11232745
   0.76674352  0.43930379  0.09032106
   0.70128780  0.24555713  0.38228378
   0.47832709  0.16570567  0.46389195
   0.71566077  0.04769204  0.51148094
   0.92431955  0.26088461  0.77805151
   0.65236729  0.33156579  0.55991179
   0.95257997  0.53984723  0.83082302
   1.12269554  0.54943882  0.59147797
   0.77041338  0.44807510  0.69152023
   0.73951290  0.11419734  0.88198366
   0.48711501  0.05298708  0.93152619
   0.51894847  0.53995669  0.04037429
   0.87890590  0.74263621  0.32354931
   0.57059125  0.81083104  0.02465615
   0.83039063  1.01646733  0.30515676
   0.95326854  0.88120432  0.16375675
   0.69581234  0.84392557  0.20140346
   0.79095567  0.58357301  0.45686028
   0.55951778  0.63967940  0.36778202
   0.54690342  0.55618838  0.53881529
   0.81565561  0.78370459  0.82304564
   0.66864046  0.80956965  0.50660864
   0.97818878  1.00591186  0.83350159
   1.00588810  0.83940747  0.68146064
   0.78881484  0.98753176  0.68343809
   0.74941609  0.62063913  0.95523985
   0.48754331  0.69274706  0.88772993
   0.65962550  0.78797197  0.69203233
   0.81133513  1.04385957  0.52992129
   1.05936946  0.35007233  0.22464838
   1.18501094  1.25794222  0.25798377
   0.11011221  0.24751293  0.27026411
   0.66276594  0.55281383  0.31086021
   0.33103168  1.31402013 -0.07985991
  -0.18978705  1.47994418  0.04204162
   0.77187487  0.38817920  0.88047239
   0.55572698  0.56052044  0.70537942
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.788657    0.449884    0.060861
    -0.000000    9.806165    0.015014
    -0.000000    0.000000   13.727951
   Si   O    H 
    32    64    10
Direct configuration=  3818
   0.11864591  0.17562997 -0.00023358
   0.36770565  0.11721309  0.38560389
   0.15890249  0.45660976  0.08213023
   0.38536484  0.35841660  0.23018447
   0.05877660  0.16795872  0.48035928
   0.36177596  0.10386951  0.86691911
   0.17727746  0.38565776  0.58789240
   0.35258870  0.39463163  0.76116782
   0.14661093  0.73225004 -0.01553903
   0.39802567  0.61213243  0.35293166
   0.10944451  0.93729496  0.14503928
   0.36745743  0.88626502  0.25850626
   0.14798270  0.62362152  0.49414431
   0.33555350  0.69749951  0.82524432
   0.07348149  0.89966086  0.58332852
   0.35671126  0.93226385  0.67570171
   0.62114633  0.13070106  0.96834642
   0.83766403  0.18162396  0.31904372
   0.59468334  0.40781925  0.08047045
   0.89723530  0.40984081  0.18710171
   0.63195866  0.21209915  0.48917229
   0.89547661  0.15096398  0.85935434
   0.60163598  0.44267100  0.64765115
   0.85012948  0.42054940  0.79143148
   0.58822222  0.66553801 -0.02414778
   0.90573128  0.59245306  0.36656112
   0.59249390  0.90612734  0.11094012
   0.84378809  0.86875085  0.25579253
   0.63900568  0.65706061  0.48128142
   0.87976656  0.67280390  0.90022697
   0.65674224  0.90003564  0.61368945
   0.88911749  0.90468283  0.75468381
   0.11980657  0.10233072  0.10690791
   0.36544734  0.21094245  0.27413540
   0.18444824  0.32733560  0.00740622
   0.36839700  0.46341756  0.32282309
   0.54182862  0.36142397  0.18974007
   0.29364644  0.43464708  0.15280319
   0.20990148  0.13581176  0.43675238
  -0.04318944  0.22361929  0.38978759
   0.00780625  0.01807690  0.52674292
   0.37064324  0.27301994  0.85211234
   0.04781188  0.27775306  0.56752087
   0.34034796  0.52952018  0.82587219
   0.49519738  0.34673526  0.70752355
   0.20986611  0.37585918  0.70716972
   0.22498333  0.10699108 -0.06907271
  -0.04352030  0.18762805  0.96414135
   0.20578142  0.58833467  0.02365543
   0.36554569  0.71158185  0.26174643
   0.17463511  0.85288744  0.05878605
   0.41916044  0.95526841  0.35873278
   0.44942633  0.94902737  0.16827650
   0.19628802  0.93444482  0.25392615
   0.30218211  0.65506639  0.44176860
   0.04939480  0.55595777  0.40089081
   0.29376813  0.37721249  0.51144802
   0.37454093  0.77528872  0.72709330
   0.07759542  0.78622083  0.49024724
   0.33678860  1.03878477  0.76330291
   0.50145326  0.96594778  0.62850305
   0.22878298  0.94571235  0.60393589
   0.21342790  0.77340601 -0.11817142
  -0.01905159  0.73183058  0.97454391
   0.66240178  0.03813708  0.05867264
   0.85535627  0.25282381  0.21353336
   0.57914767  0.28818452  0.00396894
   0.83522712  0.49751146  0.28572214
   0.00769762  0.50044132  0.11228462
   0.76794724  0.43776374  0.09241606
   0.70050748  0.24550301  0.38330931
   0.47793207  0.16521607  0.46369099
   0.71680262  0.04683166  0.51094514
   0.92460228  0.26019835  0.77891412
   0.65278043  0.33340650  0.55907766
   0.95254657  0.54041503  0.83076750
   1.12448050  0.54751595  0.59119060
   0.77072978  0.44757257  0.69124001
   0.73883875  0.11420749  0.88165000
   0.48762702  0.05248481  0.93091291
   0.51884520  0.54101604  0.04051626
   0.87913298  0.74164944  0.32513970
   0.57101760  0.81165381  0.02411615
   0.82888766  1.01644820  0.30541964
   0.95466685  0.88039573  0.16176559
   0.69604882  0.84342261  0.19991187
   0.78960328  0.58327375  0.45623732
   0.55806578  0.64039297  0.36916676
   0.54616562  0.55813021  0.53954164
   0.81409277  0.78519480  0.82251339
   0.66773622  0.80827400  0.50567571
   0.97769616  1.00657350  0.83308939
   1.00618512  0.83920173  0.68002493
   0.78750145  0.98663758  0.68210648
   0.74959306  0.62171158  0.95540752
   0.48569135  0.69332601  0.88774567
   0.66976336  0.78827284  0.69238189
   0.82026399  1.04517039  0.53095284
   1.04553519  0.35430099  0.21901879
   1.19048508  1.26676461  0.25684541
   0.11475841  0.23588502  0.28538226
   0.69957268  0.51849575  0.29213725
   0.33039267  1.30464834 -0.07764541
  -0.18393339  1.49465257  0.03425691
   0.78018392  0.38666223  0.88453350
   0.55688789  0.56947074  0.70423714
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789054    0.446276    0.061630
    -0.000000    9.807718    0.016700
    -0.000000    0.000000   13.729675
   Si   O    H 
    32    64    10
Direct configuration=  3819
   0.11997747  0.17437864  0.00049582
   0.36718087  0.11745303  0.38555060
   0.15757674  0.45669483  0.08268577
   0.38660768  0.35803080  0.22998880
   0.05779890  0.16946522  0.48052071
   0.36268195  0.10494328  0.86662319
   0.17669683  0.38513249  0.58862541
   0.35377277  0.39296945  0.76112361
   0.14526896  0.73268838 -0.01547519
   0.39818620  0.61173850  0.35263355
   0.10836557  0.93799518  0.14486065
   0.36627476  0.88609784  0.25893888
   0.14874378  0.62330620  0.49397212
   0.33563957  0.69668521  0.82530116
   0.07386726  0.90111071  0.58487935
   0.35628320  0.93261365  0.67583179
   0.62095237  0.13008312  0.96807624
   0.83765725  0.18141709  0.31857781
   0.59646562  0.40639034  0.08029042
   0.89862879  0.40985331  0.18693714
   0.63128298  0.21202251  0.48997718
   0.89450992  0.15002158  0.85965323
   0.60257512  0.44378312  0.64669437
   0.85012949  0.42041868  0.79226027
   0.58796689  0.66674538 -0.02487808
   0.90527558  0.59197357  0.36720068
   0.59415562  0.90874205  0.11070785
   0.84306625  0.86745927  0.25567224
   0.64006212  0.65798215  0.48095937
   0.87940691  0.67364015  0.89919416
   0.65625546  0.90048749  0.61394488
   0.88965982  0.90435985  0.75553038
   0.12087528  0.10128611  0.10648102
   0.36722341  0.21167218  0.27642995
   0.18503903  0.32525770  0.00762879
   0.36837065  0.46482469  0.32115690
   0.54291723  0.36161311  0.18898005
   0.29266201  0.43366173  0.15137783
   0.21125664  0.13503429  0.43517972
  -0.04275108  0.22434097  0.39030338
   0.00645853  0.01907910  0.52675347
   0.37174572  0.27309913  0.85320620
   0.04796981  0.27764845  0.56798270
   0.34038683  0.52866394  0.82686418
   0.49606102  0.34636647  0.70730739
   0.21045258  0.37592856  0.70778042
   0.22388057  0.10732967 -0.06904292
  -0.04361249  0.18807207  0.96481817
   0.20432257  0.58883625  0.02378479
   0.36556444  0.71075857  0.26100832
   0.17273532  0.85162371  0.05888033
   0.41972921  0.95483703  0.35914928
   0.44960613  0.94890531  0.16893365
   0.19744270  0.93417824  0.25355571
   0.30321337  0.65518941  0.44294278
   0.04878949  0.55568089  0.40004439
   0.29331771  0.37764236  0.51092824
   0.37358585  0.77629972  0.72648793
   0.07881391  0.78494316  0.49052563
   0.33738781  1.03966330  0.76337091
   0.50233462  0.96751302  0.62796370
   0.22936391  0.94683422  0.60381294
   0.21220931  0.77334506 -0.11918567
  -0.02012714  0.73451405  0.97391050
   0.66184110  0.03794790  0.06089454
   0.85384930  0.25244369  0.21269319
   0.57936730  0.28865592  0.00358534
   0.83092339  0.49840832  0.28565251
   0.00621686  0.49991070  0.11218397
   0.77003108  0.43735325  0.09428600
   0.70039549  0.24501124  0.38381543
   0.47777544  0.16431737  0.46327468
   0.71771571  0.04617877  0.51045566
   0.92431189  0.26031289  0.77938776
   0.65319075  0.33428715  0.55851695
   0.95098747  0.54120265  0.83076677
   1.12556963  0.54668098  0.59120969
   0.77043310  0.44709936  0.69153641
   0.73764332  0.11436127  0.88147394
   0.48821484  0.05190860  0.92995125
   0.51872145  0.54333357  0.04104486
   0.87891344  0.74224338  0.32707137
   0.57196378  0.81258258  0.02375985
   0.82755953  1.01649335  0.30577170
   0.95595663  0.87983030  0.16011592
   0.69650897  0.84331998  0.19778794
   0.78809793  0.58251181  0.45576356
   0.55729004  0.64089634  0.37084165
   0.54451000  0.55943074  0.54058555
   0.81313959  0.78668192  0.82161955
   0.66724341  0.80765744  0.50511744
   0.97561592  1.00661075  0.83177742
   1.00611917  0.83944424  0.67884132
   0.78620882  0.98513983  0.68075435
   0.74904717  0.62241678  0.95610621
   0.48334566  0.69331630  0.88716616
   0.67822310  0.78751421  0.69077603
   0.82385017  1.04743083  0.52882745
   1.02779264  0.36309673  0.21587267
   1.18275993  1.26982567  0.26366169
   0.13090567  0.22559024  0.29445694
   0.73915522  0.48903657  0.27471831
   0.33050454  1.29736867 -0.08203230
  -0.18240491  1.50539043  0.03296049
   0.78933092  0.38574353  0.88731535
   0.56000411  0.57769049  0.70613642
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.789805    0.442456    0.062769
    -0.000000    9.809332    0.018135
    -0.000000    0.000000   13.731583
   Si   O    H 
    32    64    10
Direct configuration=  3820
   0.12129776  0.17360900  0.00128880
   0.36742100  0.11739494  0.38538417
   0.15724697  0.45614459  0.08331068
   0.38770089  0.35864031  0.22984943
   0.05722067  0.17099688  0.48067914
   0.36318806  0.10461467  0.86596899
   0.17597503  0.38478237  0.58929927
   0.35425298  0.39148566  0.76074728
   0.14409221  0.73311925 -0.01567980
   0.39797942  0.61164876  0.35294570
   0.10757350  0.93832136  0.14487200
   0.36437142  0.88581842  0.25922999
   0.14921869  0.62372338  0.49335474
   0.33589069  0.69581394  0.82532109
   0.07481668  0.90204884  0.58644819
   0.35564592  0.93296116  0.67598054
   0.62122503  0.12985280  0.96786551
   0.83760113  0.18125011  0.31876664
   0.59790872  0.40515921  0.08032625
   0.89997753  0.40955931  0.18613621
   0.63067739  0.21192419  0.49065817
   0.89338616  0.14873506  0.85964952
   0.60412718  0.44554491  0.64613716
   0.85038530  0.41993069  0.79327740
   0.58727206  0.66787772 -0.02540586
   0.90415795  0.59189339  0.36813781
   0.59577653  0.91110009  0.11086477
   0.84172218  0.86636144  0.25505582
   0.64053762  0.65839210  0.48053528
   0.87899713  0.67461753  0.89786595
   0.65565108  0.90062525  0.61402499
   0.89055987  0.90450974  0.75604691
   0.12247929  0.09959245  0.10624746
   0.36994826  0.21258423  0.27852153
   0.18528166  0.32319416  0.00766354
   0.36829128  0.46608892  0.31952653
   0.54443498  0.36156269  0.18846033
   0.29155873  0.43342860  0.15013880
   0.21267533  0.13557232  0.43392901
  -0.04208409  0.22432113  0.39009449
   0.00458963  0.02142647  0.52617776
   0.37253446  0.27305339  0.85480196
   0.04847321  0.27795171  0.56864465
   0.33980848  0.52782994  0.82737393
   0.49662462  0.34570189  0.70700903
   0.21044259  0.37537615  0.70898379
   0.22327159  0.10633414 -0.06940022
  -0.04418036  0.18810490  0.96559500
   0.20332890  0.58898542  0.02355898
   0.36553779  0.71097790  0.26053820
   0.17132005  0.85084300  0.05842501
   0.42049702  0.95466737  0.35903516
   0.45020709  0.94944317  0.16917970
   0.19874370  0.93357809  0.25303981
   0.30343304  0.65560382  0.44422400
   0.04944849  0.55462408  0.39905152
   0.29304353  0.37768670  0.51086043
   0.37332294  0.77734186  0.72599168
   0.07941213  0.78233586  0.49116058
   0.33834846  1.04023512  0.76365603
   0.50299203  0.96891374  0.62790515
   0.23096815  0.94798368  0.60376456
   0.21062001  0.77336170 -0.12046975
  -0.02087603  0.73704648  0.97350495
   0.66213835  0.03759495  0.06256577
   0.85162700  0.25267285  0.21190241
   0.57977075  0.28905378  0.00258412
   0.82807225  0.49811781  0.28501559
   0.00434247  0.49983406  0.11258808
   0.77229445  0.43710214  0.09590902
   0.70071574  0.24521323  0.38399530
   0.47852113  0.16301326  0.46367720
   0.71838387  0.04688762  0.51030028
   0.92458654  0.26106619  0.77982853
   0.65311265  0.33515710  0.55807881
   0.94882594  0.54205433  0.83106802
   1.12614936  0.54602795  0.59133071
   0.76978210  0.44610011  0.69114806
   0.73566405  0.11383234  0.88174013
   0.48870519  0.05153165  0.92897000
   0.51948055  0.54536096  0.04159881
   0.87891496  0.74339815  0.32903984
   0.57339156  0.81463244  0.02349661
   0.82667908  1.01620093  0.30579907
   0.95686395  0.88009846  0.15880173
   0.69694036  0.84388037  0.19544229
   0.78670255  0.58200617  0.45469721
   0.55639973  0.64144462  0.37288122
   0.54303709  0.56019082  0.54224475
   0.81226769  0.78752879  0.82094502
   0.66676959  0.80847335  0.50556891
   0.97428925  1.00701641  0.83020207
   1.00585063  0.83879820  0.67818890
   0.78442966  0.98416291  0.67932860
   0.74857246  0.62302453  0.95643723
   0.48152001  0.69350166  0.88642138
   0.67963747  0.78684163  0.68602574
   0.82153207  1.05262080  0.52424789
   1.02806657  0.36272175  0.22202086
   1.16314924  1.27236860  0.26937205
   0.14622753  0.22485603  0.30019961
   0.75806570  0.46065911  0.25896253
   0.32767107  1.29399751 -0.08606300
  -0.19271174  1.50969913  0.03777133
   0.79735652  0.38794094  0.88924885
   0.56541259  0.57957701  0.70546205
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790356    0.438984    0.064077
    -0.000000    9.810682    0.019701
    -0.000000    0.000000   13.733172
   Si   O    H 
    32    64    10
Direct configuration=  3821
   0.12203633  0.17325671  0.00234066
   0.36742896  0.11740232  0.38523090
   0.15726445  0.45581391  0.08350498
   0.38920803  0.35905190  0.22988703
   0.05669396  0.17226794  0.48048484
   0.36329965  0.10435092  0.86499777
   0.17515526  0.38469194  0.59017164
   0.35439037  0.38997934  0.76019740
   0.14299659  0.73363869 -0.01617310
   0.39759663  0.61228357  0.35324200
   0.10725168  0.93894522  0.14518383
   0.36195489  0.88475512  0.25946329
   0.15000112  0.62495866  0.49273080
   0.33630511  0.69519243  0.82504430
   0.07540748  0.90268301  0.58749181
   0.35471334  0.93350156  0.67603037
   0.62162943  0.13015784  0.96828627
   0.83698029  0.18099713  0.31922056
   0.59955086  0.40444342  0.08067360
   0.90118509  0.40893074  0.18503045
   0.63030528  0.21108833  0.49091500
   0.89251846  0.14679027  0.85986354
   0.60500424  0.44831814  0.64535160
   0.85071345  0.41927265  0.79398277
   0.58565047  0.66856918 -0.02597097
   0.90200786  0.59174007  0.36931367
   0.59687902  0.91350142  0.11155730
   0.84069168  0.86579246  0.25445650
   0.64093118  0.65868733  0.48032795
   0.87827543  0.67484535  0.89617214
   0.65613641  0.90129785  0.61420214
   0.89155779  0.90474818  0.75654001
   0.12355727  0.09733461  0.10676770
   0.37261979  0.21278669  0.28044782
   0.18554953  0.32172565  0.00779048
   0.36843239  0.46618846  0.31787251
   0.54559087  0.36121536  0.18722324
   0.29073828  0.43323915  0.14879643
   0.21367134  0.13654379  0.43236970
  -0.04112912  0.22507881  0.38975415
   0.00276824  0.02498505  0.52533119
   0.37357081  0.27271016  0.85597024
   0.04878696  0.27873883  0.56961415
   0.33921261  0.52729559  0.82793002
   0.49741225  0.34519764  0.70695248
   0.20947345  0.37419768  0.70942361
   0.22248964  0.10446651 -0.07014426
  -0.04501690  0.18834579  0.96656574
   0.20206993  0.58865092  0.02349473
   0.36578442  0.71331908  0.25980807
   0.17099821  0.85055199  0.05785012
   0.42071416  0.95529334  0.35937223
   0.45149962  0.95005862  0.16982566
   0.19869877  0.93367407  0.25213758
   0.30285053  0.65553852  0.44583480
   0.05062096  0.55305207  0.39817472
   0.29254026  0.37702398  0.51096357
   0.37315623  0.77933032  0.72541032
   0.07977284  0.77995494  0.49262486
   0.33842376  1.04113522  0.76355552
   0.50354489  0.97073133  0.62740301
   0.23242227  0.94843542  0.60387179
   0.20978731  0.77366872 -0.12184511
  -0.02173889  0.73937159  0.97275405
   0.66299068  0.03667362  0.06387126
   0.84973778  0.25331320  0.21187854
   0.58029858  0.28975177  0.00215084
   0.82726535  0.49905007  0.28443889
   0.00197649  0.50049249  0.11316459
   0.77439850  0.43683782  0.09666727
   0.70115230  0.24507455  0.38324832
   0.47916520  0.16200527  0.46369254
   0.71859673  0.04693708  0.51005708
   0.92487815  0.26192615  0.78004464
   0.65295450  0.33557992  0.55825705
   0.94696481  0.54285252  0.83152515
   1.12795255  0.54547160  0.59188505
   0.76959277  0.44453618  0.69062991
   0.73423099  0.11307039  0.88203345
   0.48947032  0.05060895  0.92830397
   0.52077402  0.54769780  0.04189365
   0.87882768  0.74542401  0.33031712
   0.57461981  0.81631118  0.02348867
   0.82618863  1.01566079  0.30609390
   0.95661930  0.88084615  0.15784616
   0.69669634  0.84370615  0.19365503
   0.78464787  0.58121040  0.45356226
   0.55511299  0.64262865  0.37467716
   0.54180681  0.56119305  0.54378653
   0.81150614  0.78917111  0.81994962
   0.66653839  0.80905307  0.50677898
   0.97248416  1.00679273  0.82787625
   1.00474563  0.83780738  0.67785355
   0.78267854  0.98344089  0.67841408
   0.74749220  0.62334116  0.95763146
   0.47945823  0.69305913  0.88475402
   0.67630194  0.78381781  0.67892393
   0.81173455  1.05695627  0.51956571
   1.04361608  0.35370374  0.23880310
   1.14290437  1.29806116  0.26145252
   0.15739453  0.20778347  0.31918924
   0.73709215  0.42718153  0.24150561
   0.31960443  1.29968112 -0.08335735
  -0.20548370  1.50692846  0.04521252
   0.80156279  0.39098969  0.89016360
   0.56927877  0.57733152  0.70329077
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791053    0.435718    0.064948
    -0.000000    9.812239    0.021124
    -0.000000    0.000000   13.734940
   Si   O    H 
    32    64    10
Direct configuration=  3822
   0.12225049  0.17273174  0.00404038
   0.36785946  0.11733478  0.38485819
   0.15794860  0.45554205  0.08338841
   0.39077830  0.35930133  0.22991025
   0.05672743  0.17291257  0.48008358
   0.36346282  0.10338639  0.86412547
   0.17439430  0.38465110  0.59111831
   0.35415253  0.38801241  0.75977373
   0.14138124  0.73440934 -0.01670246
   0.39672284  0.61307920  0.35350912
   0.10722125  0.93937924  0.14534040
   0.35999598  0.88321423  0.25964730
   0.15041022  0.62576805  0.49190033
   0.33698720  0.69386818  0.82449722
   0.07628396  0.90328504  0.58804703
   0.35480710  0.93435279  0.67648172
   0.62217165  0.13063757  0.96885223
   0.83601970  0.18120479  0.31975410
   0.60110666  0.40381299  0.08066789
   0.90276653  0.40773903  0.18430941
   0.62982591  0.21048243  0.49060511
   0.89212859  0.14507706  0.86036140
   0.60580092  0.45150113  0.64458387
   0.85079879  0.41856060  0.79477517
   0.58394628  0.66923591 -0.02634826
   0.89891535  0.59140923  0.37037046
   0.59765268  0.91549303  0.11259337
   0.83987022  0.86468529  0.25349856
   0.64094857  0.65864985  0.47974927
   0.87744063  0.67464381  0.89448508
   0.65713004  0.90202567  0.61451198
   0.89199096  0.90533254  0.75657074
   0.12468076  0.09503657  0.10687686
   0.37512514  0.21239947  0.28304396
   0.18507696  0.32069326  0.00889090
   0.36882165  0.46554341  0.31639061
   0.54835924  0.36102744  0.18592226
   0.28964042  0.43150280  0.14756264
   0.21395517  0.13727967  0.43110228
  -0.04028996  0.22639774  0.38901239
   0.00083732  0.02847283  0.52396472
   0.37490475  0.27274922  0.85742110
   0.04889303  0.27903175  0.57000324
   0.33865616  0.52619248  0.82769860
   0.49705936  0.34528434  0.70690787
   0.20832984  0.37237137  0.70953774
   0.22247796  0.10181055 -0.07146358
  -0.04475140  0.18870930  0.96783332
   0.20119762  0.58809997  0.02280639
   0.36579136  0.71605300  0.25918278
   0.17185624  0.85007630  0.05785535
   0.42128059  0.95625876  0.35926879
   0.45391202  0.95036038  0.17051109
   0.19820883  0.93332331  0.25053065
   0.30173845  0.65531970  0.44737678
   0.05308911  0.55117648  0.39813870
   0.29159341  0.37636302  0.51092311
   0.37306760  0.78198583  0.72492607
   0.07960867  0.77859484  0.49468197
   0.33891676  1.04251855  0.76268901
   0.50440192  0.97219065  0.62765214
   0.23376450  0.94867850  0.60457809
   0.20939926  0.77416644 -0.12298060
  -0.02322518  0.74241119  0.97180841
   0.66434175  0.03720454  0.06512323
   0.84766339  0.25338202  0.21212913
   0.58103471  0.28952997  0.00210197
   0.82570824  0.49971296  0.28342580
  -0.00056867  0.50083790  0.11367085
   0.77551117  0.43707830  0.09679860
   0.70157777  0.24484223  0.38213015
   0.47916464  0.16079306  0.46358648
   0.71772450  0.04777633  0.51005583
   0.92509377  0.26278338  0.78003868
   0.65267644  0.33497494  0.55818202
   0.94569673  0.54337135  0.83220285
   1.12954339  0.54502856  0.59244655
   0.76921975  0.44376649  0.69030415
   0.73225222  0.11256661  0.88279595
   0.49039799  0.05013925  0.92762843
   0.52188473  0.54947686  0.04183004
   0.87825606  0.74665717  0.33108735
   0.57564268  0.81636957  0.02298874
   0.82574047  1.01506620  0.30655225
   0.95565962  0.88126167  0.15752083
   0.69725421  0.84328775  0.19239185
   0.78305168  0.58098666  0.45278988
   0.55508421  0.64375124  0.37634983
   0.54047411  0.56178799  0.54576623
   0.81141844  0.79020633  0.81860619
   0.66570349  0.81005506  0.50760899
   0.97094703  1.00559077  0.82569047
   1.00408193  0.83730540  0.67815933
   0.77988626  0.98199533  0.67764681
   0.74662332  0.62314365  0.95863852
   0.47733926  0.69229861  0.88325963
   0.66600786  0.77827078  0.67448064
   0.81327033  1.05662793  0.51737483
   1.05453028  0.34703553  0.25397568
   1.12576431  1.31473542  0.25496661
   0.16851559  0.19991202  0.33360391
   0.71718345  0.40285008  0.23493797
   0.30940009  1.30795591 -0.08137374
  -0.21737004  1.50249731  0.05226797
   0.80259814  0.39476012  0.89254514
   0.57223165  0.57468902  0.70206164
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791092    0.432641    0.065580
    -0.000000    9.813700    0.022742
    -0.000000    0.000000   13.736804
   Si   O    H 
    32    64    10
Direct configuration=  3823
   0.12212857  0.17236888  0.00531191
   0.36796535  0.11708994  0.38426634
   0.15959120  0.45547490  0.08265295
   0.39243628  0.35951919  0.22987457
   0.05634053  0.17395416  0.47981802
   0.36356821  0.10249508  0.86376792
   0.17298489  0.38490277  0.59187992
   0.35417717  0.38592617  0.75883805
   0.14027632  0.73481595 -0.01715266
   0.39616517  0.61393235  0.35396888
   0.10726381  0.93993310  0.14503515
   0.35812476  0.88143571  0.26013132
   0.15065409  0.62647196  0.49076360
   0.33798102  0.69193653  0.82379721
   0.07721351  0.90370472  0.58811144
   0.35543624  0.93501420  0.67708589
   0.62285923  0.13090691  0.97015074
   0.83495521  0.18163730  0.32069712
   0.60207025  0.40325698  0.08087404
   0.90502044  0.40694462  0.18342461
   0.62925689  0.20993658  0.49032133
   0.89194136  0.14332527  0.86119551
   0.60609790  0.45459000  0.64380255
   0.85068092  0.41845288  0.79556653
   0.58216076  0.67013367 -0.02697403
   0.89544617  0.59144750  0.37102726
   0.59862065  0.91719177  0.11403532
   0.83894812  0.86390301  0.25193675
   0.64158023  0.65819975  0.47939075
   0.87661210  0.67452408  0.89272566
   0.65767195  0.90260833  0.61490275
   0.89277252  0.90569660  0.75627312
   0.12477486  0.09272583  0.10788011
   0.37730365  0.21151941  0.28493354
   0.18516010  0.32036803  0.00979024
   0.36906679  0.46535187  0.31494450
   0.55134970  0.36088201  0.18519092
   0.28851737  0.42951576  0.14680705
   0.21402119  0.13824008  0.43002529
  -0.03924360  0.22758091  0.38830477
  -0.00051304  0.03193017  0.52320215
   0.37611906  0.27260469  0.85916521
   0.04858464  0.27950751  0.57013199
   0.33736779  0.52501101  0.82732393
   0.49702603  0.34547103  0.70666119
   0.20633459  0.37093053  0.70972044
   0.22295454  0.10024128 -0.07307091
  -0.04409918  0.18924323  0.96889917
   0.20066992  0.58733251  0.02151392
   0.36596770  0.71787472  0.25799551
   0.17323761  0.84947998  0.05749979
   0.42094607  0.95720620  0.35950639
   0.45668150  0.94988927  0.17143838
   0.19746467  0.93347321  0.24878994
   0.30039049  0.65511003  0.44896805
   0.05643863  0.54948932  0.39812722
   0.28978697  0.37566966  0.51024012
   0.37287399  0.78448356  0.72520334
   0.07894144  0.77709425  0.49665613
   0.33929602  1.04393184  0.76161755
   0.50531958  0.97318960  0.62798565
   0.23456333  0.94919749  0.60528958
   0.20921312  0.77428040 -0.12381799
  -0.02436372  0.74507834  0.97043083
   0.66590533  0.03914277  0.06584227
   0.84580823  0.25358011  0.21229662
   0.58148865  0.28880997  0.00214963
   0.82468658  0.50039489  0.28175306
  -0.00305281  0.50048486  0.11374424
   0.77619246  0.43687367  0.09780101
   0.70212149  0.24486049  0.38077461
   0.47972301  0.15905234  0.46362122
   0.71563819  0.04955165  0.51044159
   0.92438385  0.26372212  0.78044648
   0.65253911  0.33408574  0.55866417
   0.94414265  0.54378954  0.83280464
   1.13083564  0.54392656  0.59300992
   0.76894811  0.44341848  0.69033101
   0.73023124  0.11192231  0.88399230
   0.49151661  0.05005344  0.92657902
   0.52432118  0.55066194  0.04158850
   0.87713168  0.74775123  0.33152643
   0.57626373  0.81620542  0.02296384
   0.82535951  1.01403097  0.30639523
   0.95449288  0.88190424  0.15719207
   0.69840485  0.84283793  0.19130482
   0.78248514  0.58022711  0.45226681
   0.55412396  0.64446083  0.37754532
   0.53990734  0.56170412  0.54812047
   0.81242263  0.79061048  0.81759120
   0.66582667  0.81118316  0.50850586
   0.96948854  1.00403258  0.82324024
   1.00375589  0.83749299  0.67824340
   0.77790033  0.98157099  0.67686719
   0.74637364  0.62223823  0.95943379
   0.47590779  0.69238089  0.88116021
   0.65483567  0.77241471  0.67430940
   0.82013536  1.05406830  0.51562172
   1.05066736  0.34754936  0.26504466
   1.12089553  1.31797254  0.25011318
   0.18081918  0.19388599  0.34786144
   0.69321674  0.38402810  0.23441427
   0.30208585  1.31127742 -0.08254392
  -0.22271976  1.51504554  0.04723849
   0.79963505  0.39923523  0.89694032
   0.57652355  0.57521631  0.70441749
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790874    0.429696    0.065955
    -0.000000    9.814658    0.024747
    -0.000000    0.000000   13.738785
   Si   O    H 
    32    64    10
Direct configuration=  3824
   0.12176749  0.17175740  0.00590731
   0.36811973  0.11687144  0.38365235
   0.16105832  0.45533264  0.08172885
   0.39403760  0.35981966  0.22997268
   0.05625165  0.17533018  0.47968458
   0.36350408  0.10181475  0.86379869
   0.17146416  0.38488809  0.59244941
   0.35490646  0.38451397  0.75773034
   0.13955989  0.73490389 -0.01801815
   0.39553203  0.61515454  0.35452935
   0.10764464  0.94049540  0.14493290
   0.35651446  0.88061481  0.26045071
   0.15011754  0.62668833  0.48964906
   0.33938736  0.68951895  0.82282909
   0.07818041  0.90398270  0.58791242
   0.35665661  0.93520020  0.67778546
   0.62334093  0.13129224  0.97129180
   0.83378017  0.18149160  0.32130868
   0.60334668  0.40269511  0.08099763
   0.90731731  0.40637585  0.18280003
   0.62881696  0.20893825  0.49009345
   0.89196032  0.14138992  0.86189233
   0.60658683  0.45744379  0.64331181
   0.85012237  0.41842539  0.79635417
   0.58031127  0.67127227 -0.02780397
   0.89279661  0.59123729  0.37144389
   0.59924484  0.91802893  0.11495925
   0.83853310  0.86300268  0.24989358
   0.64187474  0.65700330  0.47904943
   0.87619548  0.67470992  0.89116345
   0.65837666  0.90293057  0.61571938
   0.89281594  0.90558974  0.75591477
   0.12444425  0.09049258  0.10911330
   0.37994961  0.21123788  0.28678478
   0.18469725  0.31998870  0.01068532
   0.36949631  0.46484146  0.31396056
   0.55445370  0.36003530  0.18481133
   0.28748096  0.42820311  0.14675976
   0.21296465  0.13871991  0.42841720
  -0.03706462  0.22816222  0.38771095
  -0.00171143  0.03469026  0.52306939
   0.37597467  0.27329028  0.86052258
   0.04816610  0.27923979  0.57033735
   0.33667740  0.52290233  0.82656100
   0.49678759  0.34618061  0.70621175
   0.20455909  0.36977778  0.70987728
   0.22349228  0.09879085 -0.07484711
  -0.04294761  0.18914508  0.97007135
   0.20001540  0.58712573  0.02023839
   0.36606172  0.71944156  0.25729278
   0.17492249  0.84908135  0.05709858
   0.42078778  0.95854298  0.35934904
   0.45952704  0.94931424  0.17225620
   0.19657001  0.93345395  0.24732527
   0.29888629  0.65525533  0.45030662
   0.06009440  0.54811156  0.39831823
   0.28926451  0.37439514  0.50987898
   0.37324560  0.78650694  0.72556842
   0.07868365  0.77681916  0.49888006
   0.33977985  1.04492434  0.76037159
   0.50550071  0.97407283  0.62874165
   0.23417278  0.94972760  0.60533208
   0.20951044  0.77519826 -0.12446068
  -0.02588424  0.74775854  0.96901732
   0.66780083  0.04241127  0.06607684
   0.84455680  0.25385961  0.21262453
   0.58194256  0.28756898  0.00250879
   0.82463322  0.50055335  0.27958040
  -0.00476962  0.50010800  0.11395392
   0.77627286  0.43613006  0.09848718
   0.70167766  0.24500370  0.37974955
   0.48101091  0.15794514  0.46346316
   0.71368378  0.05206858  0.51091868
   0.92445440  0.26449440  0.78139419
   0.65224179  0.33248147  0.55959472
   0.94291135  0.54455240  0.83306075
   1.13226758  0.54413748  0.59374163
   0.76899384  0.44395612  0.69078525
   0.72789612  0.11094555  0.88469433
   0.49229243  0.05041162  0.92560780
   0.52711007  0.55126862  0.04132794
   0.87571055  0.74940004  0.33148322
   0.57691189  0.81636130  0.02317785
   0.82596793  1.01378691  0.30647110
   0.95309059  0.88225344  0.15710566
   0.70020953  0.84333237  0.19045541
   0.78242078  0.57922708  0.45127776
   0.55259007  0.64547844  0.37930443
   0.54062920  0.56157378  0.55015945
   0.81375152  0.79127001  0.81780128
   0.66629099  0.81212360  0.50943407
   0.96840565  1.00283052  0.82116709
   1.00306866  0.83634845  0.67888829
   0.77585790  0.98061182  0.67642099
   0.74647720  0.62184774  0.96013306
   0.47461578  0.69260759  0.88001973
   0.64393050  0.76874138  0.67509558
   0.82071781  1.05205771  0.51553792
   1.03821773  0.35481058  0.27558018
   1.12367056  1.31748866  0.24731991
   0.19231365  0.19028348  0.36197206
   0.66435216  0.36593351  0.23747241
   0.30124064  1.30887894 -0.08479763
  -0.22737363  1.52511978  0.04279204
   0.79363418  0.40078584  0.89801880
   0.57992410  0.57924447  0.70931137
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790679    0.426137    0.066197
    -0.000000    9.815050    0.026713
    -0.000000    0.000000   13.740404
   Si   O    H 
    32    64    10
Direct configuration=  3825
   0.12091504  0.17072497  0.00606960
   0.36933346  0.11610325  0.38338106
   0.16195998  0.45522052  0.08096551
   0.39519763  0.36019000  0.23009042
   0.05556841  0.17653772  0.47938803
   0.36296785  0.10077898  0.86362326
   0.17007006  0.38503183  0.59290854
   0.35545205  0.38353668  0.75698650
   0.13856664  0.73456099 -0.01884393
   0.39475687  0.61644478  0.35499836
   0.10790920  0.94047891  0.14481814
   0.35570731  0.88073702  0.26081162
   0.14960969  0.62687804  0.48867100
   0.34032695  0.68752011  0.82146173
   0.07809916  0.90360283  0.58741672
   0.35907674  0.93442455  0.67765385
   0.62369454  0.13210766  0.97229120
   0.83291407  0.18164680  0.32219031
   0.60508465  0.40209713  0.08129714
   0.90879002  0.40628213  0.18313537
   0.62904279  0.20750156  0.48984110
   0.89150933  0.14006762  0.86265311
   0.60763720  0.46010201  0.64232860
   0.84892853  0.41850923  0.79732006
   0.57896295  0.67256640 -0.02858493
   0.89028252  0.59067948  0.37181779
   0.59942230  0.91811500  0.11563137
   0.83778034  0.86258217  0.24772300
   0.64263154  0.65559279  0.47846571
   0.87567963  0.67468719  0.88933203
   0.65877813  0.90377061  0.61655817
   0.89223045  0.90538933  0.75516215
   0.12451063  0.08963223  0.11076444
   0.38157375  0.21170817  0.28836242
   0.18421357  0.31918370  0.01150436
   0.37098837  0.46519188  0.31333827
   0.55733750  0.35896837  0.18449970
   0.28716511  0.42621783  0.14729413
   0.21080245  0.13944505  0.42608244
  -0.03457454  0.22937059  0.38770567
  -0.00259216  0.03685613  0.52250225
   0.37564007  0.27440333  0.86218897
   0.04793254  0.27877687  0.57029935
   0.33492151  0.52081988  0.82574452
   0.49656068  0.34630522  0.70581256
   0.20357677  0.36765433  0.71001816
   0.22302847  0.09741715 -0.07637348
  -0.04234800  0.18890567  0.97074872
   0.19886532  0.58743320  0.01925016
   0.36589061  0.72040501  0.25712551
   0.17661183  0.84852434  0.05708411
   0.42008340  0.95908526  0.35852681
   0.46178305  0.94913815  0.17312662
   0.19612051  0.93401135  0.24630067
   0.29810940  0.65687035  0.45048729
   0.06407272  0.54705153  0.39848891
   0.28789253  0.37340086  0.51002971
   0.37222900  0.78800646  0.72595932
   0.07760891  0.77684860  0.50110192
   0.34009650  1.04702586  0.75985140
   0.50498646  0.97494243  0.62948403
   0.23386058  0.94894042  0.60480670
   0.21042454  0.77570707 -0.12465504
  -0.02784803  0.75005673  0.96722473
   0.66964426  0.04668724  0.06688012
   0.84375712  0.25443853  0.21199769
   0.58280023  0.28615112  0.00286598
   0.82551023  0.50168263  0.27768275
  -0.00695589  0.49967033  0.11434110
   0.77552000  0.43557142  0.09868648
   0.70108563  0.24474601  0.37875141
   0.48108429  0.15805049  0.46351840
   0.71182313  0.05487903  0.51144373
   0.92466732  0.26577397  0.78271994
   0.65146002  0.33115715  0.56092947
   0.94134251  0.54597130  0.83345750
   1.13257179  0.54477828  0.59428541
   0.76936448  0.44444620  0.69135180
   0.72682201  0.10894281  0.88502619
   0.49318340  0.05172039  0.92409745
   0.52996652  0.55069155  0.04073394
   0.87398372  0.75087598  0.33150841
   0.57710362  0.81622162  0.02318357
   0.82690259  1.01433950  0.30625830
   0.95200711  0.88313940  0.15718800
   0.70260651  0.84381535  0.18949074
   0.78174974  0.57828866  0.45046877
   0.55102048  0.64659417  0.38076451
   0.54080752  0.56154838  0.55134229
   0.81576063  0.79118196  0.81782909
   0.66674272  0.81268699  0.51075725
   0.96696325  1.00195048  0.81915715
   1.00237173  0.83548298  0.67968885
   0.77389857  0.97899324  0.67644754
   0.74652684  0.62156284  0.96038930
   0.47471239  0.69324589  0.87940815
   0.63505887  0.76710997  0.67620334
   0.81428469  1.05281077  0.51540173
   1.02927168  0.35652786  0.28103540
   1.11766779  1.31975221  0.25438332
   0.20554035  0.18509232  0.37393692
   0.63160219  0.34985360  0.23910521
   0.30485469  1.30098860 -0.08876997
  -0.22608106  1.52993255  0.04260556
   0.78381121  0.39939345  0.89384261
   0.58474325  0.58435580  0.71469631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790871    0.422898    0.066041
    -0.000000    9.815072    0.028499
    -0.000000    0.000000   13.741708
   Si   O    H 
    32    64    10
Direct configuration=  3826
   0.11989903  0.16994110  0.00626650
   0.37111616  0.11501607  0.38358920
   0.16327114  0.45466941  0.08022151
   0.39640296  0.36037161  0.23022448
   0.05453115  0.17751530  0.47947261
   0.36263419  0.10048507  0.86402490
   0.16936438  0.38558137  0.59346133
   0.35612513  0.38324791  0.75627018
   0.13801158  0.73436402 -0.01951927
   0.39461436  0.61760415  0.35572819
   0.10797972  0.93972568  0.14484717
   0.35508703  0.88141922  0.26115315
   0.14926053  0.62714750  0.48807568
   0.34080849  0.68649225  0.82024541
   0.07802719  0.90266100  0.58636991
   0.36148724  0.93392395  0.67774807
   0.62369190  0.13307978  0.97353157
   0.83189269  0.18151652  0.32244871
   0.60675612  0.40215915  0.08121020
   0.90974683  0.40611553  0.18430565
   0.62976979  0.20608918  0.48901172
   0.89061001  0.13888297  0.86350329
   0.60912461  0.46212725  0.64120484
   0.84746759  0.41770161  0.79791252
   0.57725753  0.67365934 -0.02961543
   0.88787969  0.58957183  0.37140020
   0.59975054  0.91837897  0.11560448
   0.83679849  0.86277236  0.24567956
   0.64275523  0.65403042  0.47812944
   0.87480860  0.67539325  0.88810587
   0.65888559  0.90396689  0.61703389
   0.89142851  0.90456318  0.75423724
   0.12381790  0.09007018  0.11190541
   0.38292488  0.21259267  0.28932712
   0.18336639  0.31920854  0.01259234
   0.37231124  0.46634659  0.31308272
   0.55975755  0.35730926  0.18489705
   0.28790110  0.42367544  0.14839368
   0.20783932  0.13840578  0.42554409
  -0.03326169  0.23100432  0.38791472
  -0.00273617  0.03767338  0.52246926
   0.37570974  0.27513047  0.86343476
   0.04788802  0.27847851  0.57032648
   0.33368452  0.51866524  0.82507589
   0.49630787  0.34549206  0.70584355
   0.20306303  0.36530779  0.71070425
   0.22249524  0.09605081 -0.07684212
  -0.04188500  0.18849180  0.97127633
   0.19753334  0.58778639  0.01813022
   0.36678554  0.72038338  0.25731907
   0.17774473  0.84779796  0.05693667
   0.41836565  0.95874043  0.35744569
   0.46220441  0.94914720  0.17448073
   0.19626835  0.93416766  0.24573525
   0.29746727  0.65888155  0.45016276
   0.06737497  0.54701151  0.39819698
   0.28639082  0.37214303  0.51118026
   0.37068342  0.78914422  0.72605650
   0.07616543  0.77844424  0.50302629
   0.33899387  1.04826652  0.75933807
   0.50481022  0.97520891  0.62975659
   0.23356497  0.94853678  0.60454548
   0.21155106  0.77474206 -0.12434268
  -0.02937786  0.75243281  0.96589006
   0.67125086  0.05028806  0.06819258
   0.84332058  0.25496581  0.21130322
   0.58317651  0.28529223  0.00316257
   0.82747093  0.50161044  0.27580293
  -0.00825119  0.49951740  0.11473174
   0.77329542  0.43532488  0.09833173
   0.69979168  0.24458896  0.37774044
   0.48012531  0.15806445  0.46423609
   0.71058938  0.05665165  0.51200654
   0.92502254  0.26613560  0.78438155
   0.65052642  0.33015050  0.56161085
   0.94062399  0.54681197  0.83381181
   1.13204148  0.54568718  0.59456411
   0.77051970  0.44463801  0.69216420
   0.72673356  0.10724210  0.88551970
   0.49424693  0.05200009  0.92271446
   0.53255880  0.54940908  0.04059406
   0.87172924  0.75238656  0.33159383
   0.57767277  0.81599886  0.02313258
   0.82739536  1.01573117  0.30582991
   0.95253718  0.88469686  0.15726347
   0.70450170  0.84397547  0.18867824
   0.78100786  0.57804573  0.44988176
   0.54954815  0.64766568  0.38225893
   0.54237540  0.56128504  0.55256488
   0.81704244  0.79141904  0.81882352
   0.66753821  0.81272358  0.51176890
   0.96595093  1.00177771  0.81834431
   1.00148561  0.83503176  0.68020719
   0.77251736  0.97704269  0.67688441
   0.74638225  0.62130229  0.96055252
   0.47560215  0.69501414  0.87922787
   0.62899141  0.76552091  0.67752910
   0.80436833  1.05105412  0.51375505
   1.02648996  0.35621476  0.28063323
   1.10126007  1.32188797  0.27170090
   0.21299329  0.21448720  0.34906440
   0.60228357  0.33339306  0.23543661
   0.30832901  1.29336430 -0.09204809
  -0.22028182  1.52654993  0.04181623
   0.77130967  0.39624460  0.88606207
   0.58752880  0.58718207  0.71845885
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791114    0.419385    0.065870
    -0.000000    9.815138    0.030451
    -0.000000    0.000000   13.743064
   Si   O    H 
    32    64    10
Direct configuration=  3827
   0.11883645  0.16868170  0.00615424
   0.37291528  0.11412248  0.38385122
   0.16486655  0.45396293  0.07908361
   0.39743378  0.36047345  0.23033677
   0.05308113  0.17804227  0.47932787
   0.36233648  0.10001616  0.86471151
   0.16879331  0.38589244  0.59392743
   0.35665849  0.38329254  0.75593191
   0.13723132  0.73467367 -0.02037521
   0.39470631  0.61850822  0.35637571
   0.10823343  0.93892399  0.14501303
   0.35482782  0.88244472  0.26110636
   0.14853944  0.62713639  0.48745052
   0.34107169  0.68569365  0.81904441
   0.07774903  0.90157496  0.58521419
   0.36338944  0.93356501  0.67771498
   0.62252398  0.13453185  0.97454710
   0.83127415  0.18162361  0.32240140
   0.60843602  0.40316743  0.08053213
   0.91029124  0.40581702  0.18591692
   0.63048526  0.20464506  0.48814840
   0.88971375  0.13809467  0.86461534
   0.61039707  0.46383381  0.64055571
   0.84656734  0.41643117  0.79845715
   0.57560292  0.67497380 -0.03025614
   0.88584305  0.58857381  0.37019677
   0.59996091  0.91893222  0.11583652
   0.83632257  0.86287939  0.24371731
   0.64246191  0.65261276  0.47770867
   0.87383049  0.67581944  0.88754698
   0.65869629  0.90312543  0.61764341
   0.89033375  0.90372674  0.75313482
   0.12286126  0.09137043  0.11298895
   0.38404966  0.21328469  0.29001964
   0.18259020  0.31964721  0.01341309
   0.37337706  0.46769232  0.31355585
   0.55986889  0.35506647  0.18444369
   0.28900636  0.42139297  0.14964868
   0.20617497  0.13691234  0.42424969
  -0.03258594  0.23228852  0.38765361
  -0.00212676  0.03760442  0.52255193
   0.37700077  0.27623927  0.86409290
   0.04816026  0.27776886  0.57064089
   0.33371742  0.51680664  0.82410824
   0.49679655  0.34559922  0.70609020
   0.20384117  0.36262029  0.71139742
   0.22229959  0.09464578 -0.07680248
  -0.04191058  0.18728080  0.97217749
   0.19657593  0.58914866  0.01688536
   0.36729110  0.71977463  0.25751668
   0.17941754  0.84773579  0.05709484
   0.41634096  0.95832161  0.35578333
   0.46122745  0.94935169  0.17544924
   0.19651362  0.93512792  0.24572312
   0.29690641  0.66101172  0.44944869
   0.06917110  0.54810873  0.39762069
   0.28529415  0.37035841  0.51237832
   0.36893543  0.78901089  0.72587962
   0.07580517  0.77946385  0.50531828
   0.33730090  1.04938225  0.75880185
   0.50460616  0.97495491  0.63002674
   0.23278105  0.94818739  0.60393647
   0.21321852  0.77435563 -0.12406559
  -0.03122159  0.75450456  0.96485099
   0.67160620  0.05414902  0.06994942
   0.84299281  0.25522319  0.21103878
   0.58355556  0.28446431  0.00401228
   0.83006124  0.50184102  0.27450033
  -0.00821979  0.49992005  0.11460326
   0.77127340  0.43635899  0.09752349
   0.69849540  0.24475487  0.37698846
   0.47889532  0.15812957  0.46432120
   0.70892921  0.05812025  0.51314405
   0.92515040  0.26649051  0.78572420
   0.65060825  0.32865888  0.56176478
   0.94040142  0.54648861  0.83413160
   1.13087216  0.54656585  0.59544651
   0.77212562  0.44476368  0.69291550
   0.72780743  0.10676141  0.88561811
   0.49498994  0.05253939  0.92176978
   0.53477604  0.54805224  0.04041940
   0.86968943  0.75347328  0.33157171
   0.57791140  0.81649171  0.02317709
   0.82793407  1.01678742  0.30533403
   0.95469521  0.88579267  0.15812698
   0.70569806  0.84394728  0.18806098
   0.78037667  0.57758554  0.45034432
   0.54794234  0.64820706  0.38350996
   0.54448213  0.56181032  0.55259161
   0.81772059  0.79154137  0.81923418
   0.66863401  0.81285692  0.51294799
   0.96653649  1.00245291  0.81793364
   1.00062475  0.83476462  0.68046210
   0.77158892  0.97570355  0.67792873
   0.74569688  0.62115291  0.96068078
   0.47828490  0.69568260  0.87980989
   0.62606381  0.76621160  0.67821194
   0.80854682  1.04704220  0.51251737
   1.01537352  0.35840839  0.27811316
   1.09129107  1.32024936  0.28691920
   0.21625598  0.24027025  0.33270137
   0.60531484  0.30729206  0.25608758
   0.29959230  1.29220420 -0.08662478
  -0.21397454  1.51506991  0.04439183
   0.75953830  0.39373627  0.87947866
   0.59426491  0.58453306  0.71887192
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791504    0.415433    0.065230
    -0.000000    9.815127    0.031946
    -0.000000    0.000000   13.744134
   Si   O    H 
    32    64    10
Direct configuration=  3828
   0.11769355  0.16699755  0.00544059
   0.37355472  0.11297481  0.38434517
   0.16592718  0.45337674  0.07776569
   0.39776584  0.36039859  0.23055738
   0.05200658  0.17798018  0.47923388
   0.36204326  0.09982329  0.86545563
   0.16857327  0.38640045  0.59454349
   0.35637514  0.38389809  0.75590899
   0.13661122  0.73487005 -0.02120364
   0.39426503  0.62017645  0.35699457
   0.10830323  0.93757343  0.14497359
   0.35447103  0.88330330  0.26069371
   0.14725171  0.62742889  0.48715705
   0.34088150  0.68465949  0.81797873
   0.07738028  0.90114086  0.58348764
   0.36457888  0.93352169  0.67760684
   0.62179810  0.13549802  0.97516692
   0.83096960  0.18145213  0.32219161
   0.60996195  0.40451605  0.07979168
   0.90999762  0.40566584  0.18762753
   0.63125677  0.20316852  0.48725504
   0.88852143  0.13818669  0.86576677
   0.61205015  0.46576451  0.64001709
   0.84528665  0.41537362  0.79889079
   0.57383112  0.67632931 -0.03110903
   0.88435716  0.58766570  0.36856891
   0.60010047  0.91953766  0.11573973
   0.83653557  0.86344866  0.24230197
   0.64181080  0.65198866  0.47783328
   0.87332803  0.67575052  0.88712616
   0.65873401  0.90190138  0.61776145
   0.88943014  0.90265125  0.75188310
   0.12255624  0.09377118  0.11303699
   0.38526319  0.21325700  0.29029847
   0.18174432  0.32040324  0.01437707
   0.37408952  0.46877671  0.31339318
   0.55993761  0.35259371  0.18477075
   0.28986833  0.41862820  0.15149824
   0.20525147  0.13627884  0.42333986
  -0.03242278  0.23356123  0.38623129
  -0.00193194  0.03703252  0.52259082
   0.37746801  0.27704393  0.86453551
   0.04853548  0.27745780  0.57119080
   0.33343943  0.51559528  0.82297557
   0.49711838  0.34645864  0.70592906
   0.20490470  0.36021766  0.71210184
   0.22196180  0.09449197 -0.07632379
  -0.04156076  0.18575560  0.97270353
   0.19585401  0.58946539  0.01529536
   0.36835816  0.71836566  0.25831226
   0.18113272  0.84829486  0.05763503
   0.41384917  0.95769364  0.35461842
   0.46046457  0.94985702  0.17636746
   0.19574435  0.93576249  0.24552352
   0.29732101  0.66307466  0.44813634
   0.06967744  0.54972689  0.39667752
   0.28470188  0.36867956  0.51418105
   0.36710986  0.78825152  0.72549509
   0.07558148  0.77996045  0.50735873
   0.33574785  1.05074874  0.75784580
   0.50500854  0.97450207  0.63006475
   0.23163391  0.94748096  0.60325261
   0.21491608  0.77406373 -0.12427152
  -0.03199697  0.75549425  0.96381809
   0.67246561  0.05748560  0.07208412
   0.84316345  0.25527900  0.21105273
   0.58390648  0.28450407  0.00541702
   0.83255483  0.50167524  0.27332872
  -0.00697758  0.50035552  0.11429284
   0.76914156  0.43779746  0.09654060
   0.69672672  0.24517382  0.37594072
   0.47781224  0.15840597  0.46465149
   0.70812854  0.05934534  0.51424648
   0.92434151  0.26666233  0.78752846
   0.65126669  0.32753104  0.56167661
   0.94000814  0.54545076  0.83424473
   1.12974358  0.54825538  0.59567115
   0.77382014  0.44417628  0.69362736
   0.73073927  0.10589858  0.88530605
   0.49602802  0.05423863  0.92103584
   0.53681394  0.54650401  0.04068258
   0.86833893  0.75403321  0.33181561
   0.57669721  0.81624652  0.02325818
   0.82907756  1.01753616  0.30485435
   0.95706008  0.88685530  0.15918880
   0.70615755  0.84373919  0.18765066
   0.77952079  0.57668557  0.45099684
   0.54684096  0.64790192  0.38430395
   0.54640936  0.56271020  0.55254132
   0.81738181  0.79189534  0.81951970
   0.66985077  0.81190662  0.51386735
   0.96745353  1.00404711  0.81826202
   0.99970494  0.83500488  0.68063168
   0.77190371  0.97463511  0.67957983
   0.74495682  0.62190262  0.96074856
   0.48154652  0.69565235  0.88073780
   0.62853099  0.77162608  0.67777244
   0.81424989  1.04427593  0.51169783
   0.99851773  0.36682676  0.27607853
   1.08819380  1.31754372  0.29711237
   0.21595188  0.26588371  0.32003510
   0.61466089  0.28567150  0.27223447
   0.29717049  1.28960596 -0.07967098
  -0.20603578  1.50346568  0.04761754
   0.74456375  0.39209493  0.87611212
   0.59743967  0.58161592  0.71546320
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791560    0.411405    0.064455
    -0.000000    9.814700    0.033303
    -0.000000    0.000000   13.745132
   Si   O    H 
    32    64    10
Direct configuration=  3829
   0.11653556  0.16511089  0.00452037
   0.37370367  0.11195972  0.38477301
   0.16677568  0.45341604  0.07646621
   0.39801639  0.35964974  0.23087267
   0.05140744  0.17780650  0.47918177
   0.36181673  0.10003493  0.86623577
   0.16845814  0.38632267  0.59506393
   0.35635394  0.38417006  0.75588703
   0.13565640  0.73566912 -0.02198434
   0.39359251  0.62105244  0.35775365
   0.10857196  0.93611572  0.14528196
   0.35480574  0.88413824  0.26014401
   0.14591528  0.62729901  0.48720232
   0.34086753  0.68422631  0.81692479
   0.07733904  0.89994081  0.58199266
   0.36536542  0.93358547  0.67742461
   0.62120686  0.13585119  0.97572559
   0.83131454  0.18131974  0.32166441
   0.61130072  0.40529896  0.07861997
   0.90948474  0.40546462  0.18957177
   0.63102378  0.20240291  0.48665741
   0.88807811  0.13845490  0.86659151
   0.61404002  0.46704614  0.64023922
   0.84382338  0.41434421  0.79880178
   0.57296055  0.67696787 -0.03179229
   0.88338080  0.58690747  0.36668104
   0.60051758  0.92020100  0.11503230
   0.83709034  0.86425237  0.24181713
   0.64080062  0.65123852  0.47812969
   0.87291244  0.67584934  0.88682201
   0.65847604  0.90064729  0.61773556
   0.88898582  0.90129452  0.75104346
   0.12202324  0.09619028  0.11278275
   0.38665347  0.21371068  0.29014237
   0.18064220  0.32050071  0.01418413
   0.37414845  0.47024109  0.31344666
   0.56001938  0.35023307  0.18559275
   0.29086732  0.41607872  0.15286064
   0.20526226  0.13564063  0.42233573
  -0.03340341  0.23452650  0.38448182
  -0.00171437  0.03608700  0.52232385
   0.37723993  0.27814781  0.86545605
   0.04925511  0.27731391  0.57119669
   0.33341105  0.51480835  0.82208538
   0.49728174  0.34755005  0.70584263
   0.20585989  0.35749053  0.71321200
   0.22072578  0.09414691 -0.07565605
  -0.04142757  0.18401583  0.97321249
   0.19545673  0.58961597  0.01359940
   0.36903404  0.71773172  0.25975133
   0.18369314  0.84864099  0.05773859
   0.41126918  0.95669208  0.35315985
   0.45937416  0.95029535  0.17728142
   0.19478460  0.93573634  0.24554564
   0.29815542  0.66536302  0.44660611
   0.06898281  0.55121075  0.39553497
   0.28380962  0.36720664  0.51597676
   0.36511246  0.78674937  0.72547374
   0.07549148  0.78017008  0.50958794
   0.33400455  1.05180891  0.75757134
   0.50519222  0.97343058  0.62980239
   0.23019469  0.94734771  0.60297637
   0.21729156  0.77247392 -0.12416086
  -0.03252867  0.75665963  0.96354971
   0.67308159  0.06034990  0.07390910
   0.84387419  0.25425224  0.21115318
   0.58413170  0.28488474  0.00646767
   0.83498614  0.50117960  0.27357290
  -0.00479055  0.50025112  0.11354751
   0.76677647  0.43876972  0.09617664
   0.69496597  0.24599461  0.37418955
   0.47776163  0.15808116  0.46430313
   0.70783633  0.06064993  0.51547469
   0.92306469  0.26641738  0.78985416
   0.65162566  0.32576394  0.56173433
   0.94025071  0.54378694  0.83434708
   1.12800552  0.55128868  0.59616724
   0.77574536  0.44347927  0.69402549
   0.73412135  0.10601524  0.88450027
   0.49695694  0.05505451  0.92045906
   0.53886810  0.54450742  0.04103617
   0.86798897  0.75492540  0.33149842
   0.57544374  0.81685843  0.02308242
   0.82965418  1.01743089  0.30415204
   0.95940418  0.88736050  0.15994525
   0.70591518  0.84319740  0.18676223
   0.77935423  0.57562373  0.45152174
   0.54621134  0.64817733  0.38440688
   0.54884702  0.56342804  0.55249794
   0.81622761  0.79315858  0.81969503
   0.67163256  0.80999983  0.51502033
   0.96787444  1.00627141  0.81916736
   0.99924450  0.83528258  0.68000457
   0.77225612  0.97422568  0.68115711
   0.74453045  0.62336088  0.96009757
   0.48418189  0.69666179  0.88167949
   0.63410246  0.77856324  0.67675310
   0.81414580  1.04339809  0.51263474
   0.99073751  0.37679898  0.27134199
   1.09842857  1.31019598  0.30605303
   0.20351606  0.29652001  0.30613489
   0.62495536  0.26761621  0.28876462
   0.30112715  1.29128707 -0.07846772
  -0.19901258  1.49851958  0.04604407
   0.72921011  0.39006118  0.87371480
   0.59723624  0.57793860  0.71203635
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791452    0.408146    0.063866
    -0.000000    9.814353    0.034440
    -0.000000    0.000000   13.746432
   Si   O    H 
    32    64    10
Direct configuration=  3830
   0.11543945  0.16364571  0.00377574
   0.37233351  0.11144652  0.38549129
   0.16681894  0.45345824  0.07521704
   0.39863697  0.35849403  0.23099050
   0.05189451  0.17765382  0.47867958
   0.36117578  0.10051516  0.86694450
   0.16817956  0.38641366  0.59574078
   0.35642229  0.38388297  0.75595865
   0.13524570  0.73632555 -0.02296407
   0.39316139  0.62148657  0.35893182
   0.10945735  0.93546757  0.14559517
   0.35488143  0.88539356  0.25955715
   0.14410719  0.62677512  0.48693881
   0.34076172  0.68405290  0.81622050
   0.07728755  0.89968917  0.58104793
   0.36601537  0.93343728  0.67726720
   0.62070439  0.13626203  0.97598195
   0.83288830  0.18127415  0.32089597
   0.61219435  0.40637214  0.07785024
   0.90854092  0.40552318  0.19165163
   0.63033165  0.20285259  0.48627394
   0.88861563  0.13864486  0.86748225
   0.61554606  0.46742843  0.64066737
   0.84232451  0.41344883  0.79910385
   0.57304499  0.67729086 -0.03195753
   0.88270087  0.58626838  0.36430427
   0.60073562  0.92024955  0.11391540
   0.83839032  0.86572262  0.24204722
   0.64027033  0.65085367  0.47856748
   0.87260608  0.67523665  0.88648090
   0.65793250  0.89963224  0.61758219
   0.88796509  0.89984315  0.74983351
   0.12149773  0.09824851  0.11247777
   0.38749079  0.21368842  0.28956129
   0.17916718  0.31984571  0.01400586
   0.37477248  0.47243427  0.31347727
   0.55999405  0.34800299  0.18665064
   0.29184403  0.41339611  0.15365332
   0.20538344  0.13492014  0.42151029
  -0.03457720  0.23572285  0.38228133
  -0.00205612  0.03465115  0.52256066
   0.37607073  0.27840486  0.86684599
   0.04975861  0.27738361  0.57151888
   0.33282238  0.51530076  0.82088703
   0.49684343  0.34862330  0.70491520
   0.20689234  0.35400048  0.71455444
   0.21881825  0.09356313 -0.07514351
  -0.04202116  0.18320653  0.97327436
   0.19473816  0.59016602  0.01220410
   0.36978979  0.71662923  0.26096678
   0.18598509  0.84959438  0.05771119
   0.40862758  0.95531353  0.35203776
   0.45758350  0.95141917  0.17788731
   0.19423447  0.93506866  0.24534952
   0.29868668  0.66645145  0.44505119
   0.06724187  0.55290084  0.39427079
   0.28274939  0.36603260  0.51758027
   0.36296979  0.78423090  0.72560296
   0.07465276  0.77979295  0.51123259
   0.33245977  1.05303573  0.75777008
   0.50592817  0.97231010  0.62953788
   0.22948494  0.94688085  0.60312400
   0.21950862  0.77068487 -0.12404830
  -0.03349429  0.75733931  0.96339801
   0.67339377  0.06324827  0.07558465
   0.84347154  0.25277635  0.21162530
   0.58412132  0.28555403  0.00680062
   0.83599793  0.50129954  0.27376802
  -0.00175001  0.49949547  0.11235750
   0.76451397  0.43960113  0.09572919
   0.69242607  0.24634758  0.37294200
   0.47807207  0.15793056  0.46399447
   0.70863459  0.06176905  0.51658333
   0.92083085  0.26626582  0.79158385
   0.65146866  0.32373346  0.56121448
   0.94110050  0.54192238  0.83399825
   1.12636002  0.55433242  0.59635234
   0.77671628  0.44340148  0.69414313
   0.73744558  0.10661248  0.88408885
   0.49860607  0.05513485  0.92039324
   0.54111612  0.54285979  0.04119882
   0.86774976  0.75554568  0.33112584
   0.57525429  0.81796044  0.02323084
   0.82921134  1.01750107  0.30303394
   0.96178389  0.88822897  0.16063804
   0.70614057  0.84267614  0.18543045
   0.78006567  0.57440163  0.45192925
   0.54585609  0.64850248  0.38430256
   0.55102226  0.56433230  0.55252014
   0.81517008  0.79459958  0.82035370
   0.67378473  0.80763736  0.51619687
   0.96811697  1.00769281  0.82058356
   0.99909589  0.83613098  0.67921107
   0.77283126  0.97373907  0.68316990
   0.74366274  0.62589799  0.95965568
   0.48465727  0.69790381  0.88154008
   0.63910086  0.78724045  0.67663574
   0.80663774  1.04531300  0.51212896
   0.99629329  0.38157402  0.26918478
   1.11623919  1.30193463  0.31254082
   0.18354482  0.32219899  0.28843724
   0.63720678  0.24972463  0.30789426
   0.31015175  1.29402679 -0.08306984
  -0.19053652  1.49971361  0.04386740
   0.71745171  0.38907734  0.87040036
   0.59555908  0.57706357  0.70970362
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791507    0.404649    0.063615
    -0.000000    9.814291    0.035942
    -0.000000    0.000000   13.747624
   Si   O    H 
    32    64    10
Direct configuration=  3831
   0.11415851  0.16291743  0.00319017
   0.37076195  0.11132554  0.38598512
   0.16744185  0.45352129  0.07411331
   0.39912260  0.35695605  0.23126681
   0.05238450  0.17729662  0.47804998
   0.35964238  0.10112657  0.86745829
   0.16861681  0.38635081  0.59698235
   0.35622914  0.38342142  0.75630401
   0.13428734  0.73743972 -0.02362388
   0.39301152  0.62119065  0.35973245
   0.11039272  0.93482288  0.14574423
   0.35428548  0.88577451  0.25870381
   0.14295820  0.62626153  0.48663760
   0.34070333  0.68386248  0.81563055
   0.07645793  0.90010511  0.58031792
   0.36675084  0.93312494  0.67732749
   0.62015353  0.13612011  0.97606273
   0.83452262  0.17998281  0.31993828
   0.61259862  0.40745451  0.07782407
   0.90711451  0.40617124  0.19348599
   0.62951738  0.20392838  0.48633011
   0.88911913  0.13983800  0.86811355
   0.61667016  0.46675956  0.64108031
   0.84122185  0.41252262  0.79936063
   0.57345557  0.67689126 -0.03176198
   0.88261508  0.58645511  0.36188921
   0.60037790  0.92034594  0.11276173
   0.84013797  0.86753204  0.24224805
   0.63995739  0.65108843  0.47913530
   0.87224970  0.67432663  0.88635236
   0.65743301  0.89890673  0.61713402
   0.88718672  0.89862028  0.74912389
   0.12162569  0.10058014  0.11233387
   0.38823154  0.21363880  0.28837211
   0.17793648  0.31937175  0.01360021
   0.37621379  0.47442446  0.31453748
   0.55975322  0.34643137  0.18794133
   0.29245848  0.41071925  0.15457721
   0.20548755  0.13368330  0.42111556
  -0.03629725  0.23647346  0.38077573
  -0.00182460  0.03370389  0.52291142
   0.37535199  0.27870780  0.86673625
   0.05002224  0.27735019  0.57210364
   0.33222804  0.51587606  0.82002066
   0.49654829  0.34944124  0.70388269
   0.20784752  0.35106664  0.71509999
   0.21702535  0.09234739 -0.07440741
  -0.04252973  0.18239055  0.97275762
   0.19426555  0.59051809  0.01064062
   0.37021123  0.71602437  0.26167014
   0.18780903  0.85032798  0.05788863
   0.40621906  0.95413112  0.35098565
   0.45637976  0.95194053  0.17856156
   0.19416066  0.93403144  0.24474572
   0.29909331  0.66669646  0.44400824
   0.06523462  0.55368026  0.39355089
   0.28238174  0.36484225  0.51901680
   0.36200735  0.78244039  0.72622218
   0.07397362  0.77883596  0.51265587
   0.33124930  1.05412400  0.75752310
   0.50668820  0.97155287  0.62950373
   0.22912389  0.94602556  0.60390347
   0.22206985  0.76835993 -0.12408941
  -0.03378829  0.75784596  0.96421297
   0.67289946  0.06552149  0.07702697
   0.84308324  0.25134895  0.21202225
   0.58394287  0.28600888  0.00725217
   0.83641181  0.50193343  0.27424220
   0.00138024  0.49820290  0.11091546
   0.76312782  0.44123472  0.09521795
   0.69004089  0.24674766  0.37149943
   0.47821674  0.15873901  0.46337042
   0.70985618  0.06295138  0.51751809
   0.91870105  0.26626194  0.79295692
   0.65172822  0.32230301  0.56066234
   0.94255119  0.53899833  0.83365855
   1.12490776  0.55715534  0.59555735
   0.77815095  0.44314821  0.69410513
   0.73994880  0.10696480  0.88348249
   0.49939892  0.05507993  0.92004939
   0.54267625  0.54195112  0.04078591
   0.86672948  0.75565854  0.33113585
   0.57489175  0.82017203  0.02362676
   0.82906191  1.01732254  0.30226335
   0.96296927  0.88915513  0.16093339
   0.70598160  0.84176197  0.18454219
   0.78037270  0.57203671  0.45282216
   0.54613088  0.64959875  0.38410144
   0.55313437  0.56462714  0.55253942
   0.81390220  0.79625455  0.82045007
   0.67510850  0.80490999  0.51754882
   0.96843445  1.00934422  0.82199624
   0.99952235  0.83754131  0.67803345
   0.77314212  0.97394090  0.68467601
   0.74343471  0.62877386  0.95840305
   0.48430747  0.69866672  0.88044173
   0.64170900  0.78748489  0.68168585
   0.80186426  1.05064899  0.51108304
   1.01507917  0.38076726  0.26695396
   1.12887754  1.30158096  0.31455310
   0.16909960  0.34771229  0.27104523
   0.64781447  0.24009408  0.32710874
   0.31449106  1.29942300 -0.08395070
  -0.18700231  1.50073948  0.04219841
   0.71375603  0.38999168  0.86623994
   0.59336270  0.58080975  0.70832784
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791461    0.400223    0.063089
    -0.000000    9.814033    0.037660
    -0.000000    0.000000   13.749018
   Si   O    H 
    32    64    10
Direct configuration=  3832
   0.11353656  0.16231833  0.00275286
   0.36943435  0.11108590  0.38655138
   0.16761198  0.45439596  0.07328832
   0.39944208  0.35563456  0.23134125
   0.05332403  0.17679026  0.47751361
   0.35805327  0.10152359  0.86799976
   0.16907771  0.38690291  0.59812473
   0.35665376  0.38231821  0.75670734
   0.13433545  0.73876437 -0.02460119
   0.39298906  0.62133513  0.36026969
   0.11148036  0.93421434  0.14594165
   0.35422885  0.88621608  0.25835473
   0.14189225  0.62628288  0.48631599
   0.34162346  0.68339665  0.81539385
   0.07627089  0.90056665  0.57962446
   0.36696822  0.93297142  0.67707686
   0.61978596  0.13487515  0.97537447
   0.83714093  0.17869293  0.31937348
   0.61233253  0.40869026  0.07799964
   0.90555585  0.40626442  0.19488965
   0.62852447  0.20554767  0.48642031
   0.89018581  0.14116406  0.86837126
   0.61755093  0.46555853  0.64133758
   0.83969894  0.41175382  0.79980921
   0.57439242  0.67637705 -0.03099822
   0.88265859  0.58746271  0.36035473
   0.60001093  0.92093544  0.11161238
   0.84207191  0.87016438  0.24249750
   0.63979589  0.65135480  0.47916701
   0.87238459  0.67366440  0.88629204
   0.65691148  0.89796395  0.61647444
   0.88714263  0.89769510  0.74831176
   0.12177925  0.10245936  0.11211527
   0.38913547  0.21320330  0.28709823
   0.17645088  0.31810151  0.01352290
   0.37759029  0.47621737  0.31525031
   0.55967411  0.34556417  0.18826651
   0.29258670  0.40811770  0.15487139
   0.20598032  0.13273468  0.42076921
  -0.03839937  0.23686334  0.37986994
  -0.00144974  0.03225212  0.52330721
   0.37626436  0.27809856  0.86657844
   0.05088589  0.27781921  0.57207000
   0.33189717  0.51666703  0.81931957
   0.49596722  0.35143692  0.70320961
   0.20850071  0.34921081  0.71575704
   0.21597788  0.09107654 -0.07403844
  -0.04259092  0.18184810  0.97194117
   0.19346309  0.59064614  0.00930888
   0.37048273  0.71714224  0.26166388
   0.18897092  0.85054993  0.05825048
   0.40432292  0.95383469  0.35055055
   0.45545484  0.95232688  0.17833755
   0.19415651  0.93194218  0.24425365
   0.29833797  0.66700546  0.44307809
   0.06271799  0.55486747  0.39309449
   0.28208023  0.36411150  0.52059425
   0.36147082  0.78087976  0.72657996
   0.07301470  0.77742091  0.51346081
   0.33122668  1.05538526  0.75714085
   0.50645695  0.97123537  0.62991423
   0.22933548  0.94537223  0.60448915
   0.22390097  0.76611250 -0.12395609
  -0.03467784  0.75802653  0.96481997
   0.67131161  0.06667467  0.07848926
   0.84381138  0.24891847  0.21312595
   0.58286828  0.28742337  0.00734138
   0.83657761  0.50234493  0.27437826
   0.00383607  0.49575644  0.10976714
   0.76272195  0.44277222  0.09516798
   0.69116442  0.24738949  0.37316259
   0.47917349  0.15984215  0.46295547
   0.71012283  0.06383662  0.51749449
   0.91762901  0.26679381  0.79454757
   0.65207780  0.32169221  0.55986205
   0.94328690  0.53628684  0.83320025
   1.12328389  0.55977479  0.59458922
   0.77923338  0.44260001  0.69401354
   0.74085526  0.10760771  0.88282012
   0.50020464  0.05463670  0.92022043
   0.54339844  0.54179671  0.03957750
   0.86664766  0.75569953  0.33118150
   0.57390354  0.82208253  0.02321414
   0.82892122  1.01707450  0.30116311
   0.96358016  0.88996765  0.16090057
   0.70498041  0.84135310  0.18352904
   0.78112833  0.56980719  0.45362105
   0.54649875  0.65019013  0.38396234
   0.55461137  0.56553198  0.55297798
   0.81314235  0.79729249  0.82119838
   0.67686473  0.80267174  0.51866053
   0.96885127  1.01062726  0.82347615
   1.00080163  0.83949622  0.67714004
   0.77357261  0.97315647  0.68584893
   0.74335031  0.63066800  0.95703624
   0.48338863  0.70041311  0.87902199
   0.64195935  0.78017689  0.69004178
   0.81733232  1.05455938  0.50714347
   1.04045986  0.38023541  0.26147888
   1.14489475  1.31417585  0.30786502
   0.14541897  0.36320275  0.26428361
   0.60164216  0.22866043  0.28756854
   0.30617786  1.30999830 -0.07650652
  -0.18952527  1.49683527  0.04505756
   0.71402590  0.39375851  0.85969792
   0.59121514  0.58413737  0.70932387
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791105    0.396045    0.062297
    -0.000000    9.813004    0.039523
    -0.000000    0.000000   13.750599
   Si   O    H 
    32    64    10
Direct configuration=  3833
   0.11342117  0.16141837  0.00306891
   0.36748089  0.11137977  0.38728595
   0.16716861  0.45567531  0.07288920
   0.40035296  0.35507770  0.23163412
   0.05414958  0.17575032  0.47672777
   0.35690830  0.10199379  0.86851773
   0.16962115  0.38732598  0.59948992
   0.35685324  0.38096715  0.75702061
   0.13433312  0.73964756 -0.02571123
   0.39356605  0.62131559  0.36025032
   0.11240313  0.93405175  0.14574359
   0.35430896  0.88642136  0.25803826
   0.14125968  0.62635909  0.48604191
   0.34230156  0.68291515  0.81512080
   0.07666159  0.90094224  0.57906958
   0.36634435  0.93352681  0.67700382
   0.61927989  0.13407428  0.97458771
   0.83988279  0.17749586  0.31923671
   0.61171423  0.40954905  0.07806814
   0.90433664  0.40572708  0.19599622
   0.62747994  0.20727495  0.48697968
   0.89159567  0.14315343  0.86858694
   0.61851864  0.46429317  0.64173666
   0.83787257  0.41152803  0.79985765
   0.57591658  0.67575227 -0.02988109
   0.88304297  0.58869453  0.35941992
   0.59941068  0.92187003  0.11084827
   0.84427426  0.87222902  0.24281596
   0.63988786  0.65216758  0.47938934
   0.87206536  0.67331446  0.88633797
   0.65696644  0.89659188  0.61593421
   0.88734206  0.89757060  0.74705916
   0.12176945  0.10353685  0.11223773
   0.38937369  0.21213445  0.28660360
   0.17438202  0.31670920  0.01321461
   0.37816743  0.47668503  0.31580897
   0.55932592  0.34564115  0.18802713
   0.29251128  0.40581155  0.15509746
   0.20588817  0.13160135  0.42057207
  -0.04042553  0.23747279  0.38005404
  -0.00164086  0.03017417  0.52341779
   0.37697496  0.27799751  0.86700647
   0.05141000  0.27818996  0.57163291
   0.33144708  0.51788395  0.81835089
   0.49527447  0.35369439  0.70273958
   0.20908232  0.34743661  0.71565839
   0.21559914  0.09009106 -0.07397128
  -0.04266503  0.18107191  0.97131536
   0.19332990  0.59035844  0.00779721
   0.37144690  0.71854472  0.26151836
   0.19015948  0.85072442  0.05820544
   0.40280596  0.95494181  0.35094984
   0.45494514  0.95222884  0.17776459
   0.19358902  0.92950769  0.24421776
   0.29665913  0.66759774  0.44302819
   0.05923519  0.55566210  0.39247256
   0.28192979  0.36276529  0.52203687
   0.36083634  0.77941880  0.72643845
   0.07217671  0.77544099  0.51375358
   0.33017198  1.05627777  0.75724461
   0.50629077  0.97090169  0.62978033
   0.23005833  0.94580892  0.60513526
   0.22519351  0.76468456 -0.12361245
  -0.03426240  0.75775954  0.96520293
   0.66947153  0.06624548  0.07942335
   0.84542634  0.24704153  0.21416821
   0.58256478  0.28837417  0.00697016
   0.83658161  0.50294116  0.27430347
   0.00624040  0.49323228  0.10945080
   0.76380491  0.44449342  0.09487204
   0.69232272  0.24740721  0.37414848
   0.48058379  0.16064100  0.46266556
   0.71023144  0.06433526  0.51800539
   0.91690609  0.26694813  0.79599133
   0.65180025  0.32198431  0.55949725
   0.94379012  0.53364399  0.83292343
   1.12109643  0.56115813  0.59421078
   0.78024930  0.44161017  0.69382157
   0.74088049  0.10847078  0.88272044
   0.50037059  0.05477212  0.92027789
   0.54358165  0.54223827  0.03847322
   0.86624348  0.75587776  0.33156457
   0.57248893  0.82403617  0.02284123
   0.82877398  1.01739406  0.30058131
   0.96293974  0.89125062  0.16088445
   0.70494815  0.84035563  0.18263987
   0.78215185  0.56792161  0.45447497
   0.54791419  0.65070523  0.38428703
   0.55526072  0.56565926  0.55335133
   0.81239555  0.79894711  0.82219728
   0.67886149  0.80092856  0.51941141
   0.96987229  1.01078915  0.82454352
   1.00248556  0.84161528  0.67607032
   0.77347950  0.97235267  0.68707102
   0.74396581  0.63136527  0.95558814
   0.48214625  0.70221040  0.87707600
   0.64517222  0.77479456  0.69761544
   0.82571712  1.05717791  0.50368148
   1.04648335  0.38105782  0.25104012
   1.15957005  1.31745533  0.30672043
   0.14659495  0.38371254  0.25505581
   0.56592478  0.22136941  0.25805637
   0.30545574  1.31994093 -0.07295525
  -0.19373700  1.49268881  0.04838235
   0.71811722  0.39638685  0.85578900
   0.58900746  0.58832214  0.71305569
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.790903    0.391962    0.061874
    -0.000000    9.812121    0.041674
    -0.000000    0.000000   13.752146
   Si   O    H 
    32    64    10
Direct configuration=  3834
   0.11330855  0.16088747  0.00342737
   0.36558396  0.11191078  0.38764755
   0.16652891  0.45687211  0.07234367
   0.40100318  0.35518476  0.23202526
   0.05465621  0.17494075  0.47589859
   0.35629073  0.10275688  0.86900925
   0.16989717  0.38748140  0.60054014
   0.35770713  0.37963019  0.75720192
   0.13377513  0.74059001 -0.02625272
   0.39415380  0.62118026  0.35963347
   0.11333462  0.93422779  0.14521941
   0.35410636  0.88639624  0.25745251
   0.14089393  0.62664210  0.48591375
   0.34296234  0.68240230  0.81457951
   0.07678909  0.90116113  0.57903381
   0.36599437  0.93394657  0.67706493
   0.61896097  0.13331573  0.97394674
   0.84218336  0.17715473  0.31896707
   0.61031921  0.40941684  0.07824800
   0.90362782  0.40484802  0.19711005
   0.62698266  0.20800189  0.48712772
   0.89299534  0.14504134  0.86860416
   0.61941639  0.46254339  0.64159742
   0.83623168  0.41116113  0.79945524
   0.57758667  0.67496886 -0.02912928
   0.88387502  0.59087541  0.35903833
   0.59874617  0.92217417  0.11023648
   0.84583848  0.87402478  0.24345606
   0.63993090  0.65260914  0.47978507
   0.87161056  0.67256873  0.88648028
   0.65688469  0.89555755  0.61587670
   0.88791810  0.89772972  0.74627485
   0.12135718  0.10390614  0.11274329
   0.39013625  0.21155294  0.28603185
   0.17302648  0.31533902  0.01207689
   0.37950692  0.47576389  0.31576285
   0.55861984  0.34583610  0.18713250
   0.29222327  0.40405335  0.15454406
   0.20727315  0.13067971  0.42032147
  -0.04223058  0.23812000  0.38100578
  -0.00210899  0.02894792  0.52355448
   0.37649154  0.27790490  0.86749519
   0.05148006  0.27854791  0.57075911
   0.33166085  0.51955330  0.81646866
   0.49481300  0.35554593  0.70228082
   0.20848623  0.34617635  0.71530468
   0.21456165  0.08913578 -0.07361019
  -0.04187002  0.18042310  0.97084548
   0.19303915  0.59037202  0.00677192
   0.37137979  0.72024895  0.26096214
   0.19122856  0.85051033  0.05771068
   0.40195277  0.95702736  0.35205616
   0.45480176  0.95167165  0.17635969
   0.19322519  0.92756349  0.24442583
   0.29464176  0.66830867  0.44312406
   0.05594721  0.55645067  0.39192435
   0.28182169  0.36135262  0.52329424
   0.36000474  0.77745690  0.72557905
   0.07099261  0.77301163  0.51345442
   0.33025659  1.05816279  0.75759626
   0.50599864  0.97163369  0.62879345
   0.23118254  0.94597960  0.60561023
   0.22595566  0.76409915 -0.12337501
  -0.03379343  0.75658111  0.96563415
   0.66609240  0.06570392  0.07979617
   0.84701223  0.24594082  0.21463988
   0.58240784  0.28891067  0.00628718
   0.83697209  0.50284033  0.27419646
   0.00842808  0.49003307  0.10970289
   0.76568154  0.44522908  0.09564028
   0.69405376  0.24666957  0.37511801
   0.48131077  0.16113881  0.46246586
   0.71076170  0.06501072  0.51887283
   0.91659661  0.26613902  0.79701057
   0.65122497  0.32248829  0.55937983
   0.94365955  0.53152664  0.83271803
   1.11945239  0.56166939  0.59386688
   0.78160373  0.44077880  0.69329699
   0.73968599  0.10965349  0.88325913
   0.50057789  0.05513856  0.92088728
   0.54250137  0.54388747  0.03727653
   0.86554100  0.75613933  0.33106286
   0.57088317  0.82473268  0.02231192
   0.82810055  1.01708242  0.29986661
   0.96164149  0.89209068  0.16084438
   0.70440300  0.83960255  0.18202510
   0.78423336  0.56644109  0.45488017
   0.55024186  0.65119714  0.38466219
   0.55533443  0.56519303  0.55374506
   0.81173055  0.80021236  0.82288807
   0.68035589  0.79922243  0.51945330
   0.97116084  1.01113486  0.82457789
   1.00443379  0.84372740  0.67484806
   0.77271243  0.97153078  0.68764579
   0.74428333  0.63161408  0.95414789
   0.48194048  0.70350847  0.87547077
   0.64624043  0.77575391  0.70093275
   0.81583202  1.06118073  0.50154352
   1.04051684  0.37870718  0.23703028
   1.16923173  1.32234518  0.29965750
   0.15892813  0.39679606  0.25254281
   0.53683807  0.21696449  0.23165760
   0.31348781  1.32186011 -0.07280883
  -0.18967692  1.49692224  0.04009629
   0.71908583  0.39881253  0.85735713
   0.58990866  0.59053720  0.71482940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791354    0.387752    0.060899
    -0.000000    9.811207    0.044054
    -0.000000    0.000000   13.753000
   Si   O    H 
    32    64    10
Direct configuration=  3835
   0.11337928  0.16091781  0.00380464
   0.36418480  0.11324394  0.38812978
   0.16617833  0.45756497  0.07146468
   0.40099124  0.35627333  0.23289869
   0.05558035  0.17440794  0.47519678
   0.35567738  0.10339971  0.86954857
   0.17014797  0.38797075  0.60119884
   0.35815762  0.37799993  0.75749149
   0.13347032  0.74115215 -0.02675978
   0.39454879  0.62108465  0.35898813
   0.11426515  0.93456517  0.14462920
   0.35425298  0.88661739  0.25648417
   0.14045807  0.62637131  0.48542039
   0.34336428  0.68193698  0.81398082
   0.07644405  0.90141673  0.57915791
   0.36541310  0.93413954  0.67718300
   0.61943567  0.13255487  0.97323753
   0.84423391  0.17714925  0.31873307
   0.60868949  0.40954040  0.07882267
   0.90306123  0.40412004  0.19723418
   0.62705110  0.20902752  0.48710172
   0.89527397  0.14658744  0.86850021
   0.61989286  0.46028507  0.64176608
   0.83474883  0.41158949  0.79946683
   0.57914984  0.67445263 -0.02861769
   0.88479508  0.59261449  0.35915291
   0.59835267  0.92206969  0.11005591
   0.84754612  0.87487002  0.24421683
   0.63953266  0.65311974  0.48069470
   0.87103091  0.67221330  0.88683531
   0.65689698  0.89449571  0.61608325
   0.88895866  0.89851600  0.74579673
   0.12143942  0.10340895  0.11258899
   0.39048635  0.21082354  0.28557314
   0.17253685  0.31459923  0.01100619
   0.38087379  0.47377343  0.31508597
   0.55782588  0.34621991  0.18572799
   0.29111432  0.40341115  0.15367401
   0.20816734  0.13092534  0.42019265
  -0.04304463  0.23880325  0.38257078
  -0.00295508  0.02838688  0.52331371
   0.37681098  0.27808315  0.86888035
   0.05151712  0.27853503  0.56960784
   0.33156683  0.52054250  0.81441311
   0.49429782  0.35738913  0.70171295
   0.20824988  0.34570723  0.71502329
   0.21436414  0.08863693 -0.07352831
  -0.04088869  0.18019777  0.97028398
   0.19286062  0.58983552  0.00659226
   0.37100629  0.72162795  0.26026806
   0.19169821  0.84976773  0.05731400
   0.40062283  0.95938236  0.35367375
   0.45490225  0.95097435  0.17502383
   0.19319117  0.92509229  0.24498399
   0.29274200  0.66945059  0.44408306
   0.05347925  0.55803239  0.39181590
   0.28101216  0.36006758  0.52440778
   0.36034583  0.77596135  0.72375206
   0.06951239  0.77075644  0.51321681
   0.32983735  1.06006235  0.75787333
   0.50539868  0.97297162  0.62742718
   0.23154520  0.94559170  0.60560471
   0.22613983  0.76334660 -0.12329090
  -0.03303633  0.75540585  0.96624772
   0.66309701  0.06505542  0.07992418
   0.84883896  0.24554353  0.21425923
   0.58179719  0.28905168  0.00527097
   0.83784994  0.50283318  0.27429551
   0.01086481  0.48669372  0.10986338
   0.76845860  0.44542408  0.09584429
   0.69626773  0.24515620  0.37619589
   0.48126374  0.16122365  0.46212421
   0.71177504  0.06513149  0.52034966
   0.91632438  0.26552591  0.79758065
   0.65035329  0.32391179  0.55951179
   0.94232131  0.53014656  0.83327921
   1.11766978  0.56118068  0.59365025
   0.78242149  0.43949664  0.69212943
   0.73815311  0.11047984  0.88413684
   0.50091324  0.05541475  0.92222665
   0.54079614  0.54545036  0.03566490
   0.86503347  0.75629074  0.33019054
   0.56857625  0.82519316  0.02116473
   0.82787343  1.01662691  0.29922231
   0.96007289  0.89350187  0.16072911
   0.70466456  0.83910716  0.18195164
   0.78522644  0.56578428  0.45518875
   0.55219458  0.65255875  0.38545384
   0.55578108  0.56492188  0.55472773
   0.81115699  0.80101430  0.82433082
   0.68158167  0.79922802  0.51948308
   0.97172048  1.01170680  0.82423999
   1.00675969  0.84596748  0.67417931
   0.77172199  0.97071189  0.68794900
   0.74488980  0.63231578  0.95310423
   0.48208020  0.70486443  0.87442058
   0.64755662  0.78159114  0.70262058
   0.79909099  1.06388901  0.50337953
   1.03878626  0.37433620  0.22649147
   1.17464177  1.34144428  0.28537248
   0.17086013  0.39315622  0.26228324
   0.51455248  0.21077402  0.20720375
   0.32585542  1.31791856 -0.07833888
  -0.19072093  1.49847515  0.03429164
   0.71392592  0.40134571  0.86149123
   0.59431192  0.58534784  0.71556004
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791644    0.384222    0.059693
    -0.000000    9.810114    0.046496
    -0.000000    0.000000   13.753899
   Si   O    H 
    32    64    10
Direct configuration=  3836
   0.11369412  0.16145659  0.00450384
   0.36277144  0.11467324  0.38882040
   0.16551980  0.45793659  0.07076876
   0.40105638  0.35735584  0.23389833
   0.05702630  0.17425689  0.47462720
   0.35543896  0.10353331  0.86953792
   0.17016770  0.38920187  0.60199598
   0.35813860  0.37649827  0.75778441
   0.13321724  0.74175328 -0.02652012
   0.39474138  0.62154166  0.35830330
   0.11520514  0.93471530  0.14389690
   0.35491663  0.88663401  0.25567432
   0.14026325  0.62616760  0.48496927
   0.34328185  0.68201390  0.81344184
   0.07637899  0.90193275  0.57968232
   0.36467389  0.93407260  0.67731654
   0.62060299  0.13195126  0.97252447
   0.84511568  0.17738209  0.31865558
   0.60715161  0.40976451  0.07893571
   0.90278211  0.40299601  0.19728825
   0.62763496  0.20987609  0.48677923
   0.89687777  0.14799334  0.86866085
   0.62045782  0.45783542  0.64240992
   0.83346136  0.41184905  0.79943404
   0.58034382  0.67486390 -0.02874511
   0.88659521  0.59443184  0.35935782
   0.59722355  0.92202504  0.10994119
   0.84938504  0.87475582  0.24509132
   0.63893922  0.65315993  0.48183206
   0.87082922  0.67323360  0.88735517
   0.65638035  0.89324633  0.61640392
   0.89036633  0.89933725  0.74606324
   0.12176980  0.10241018  0.11302026
   0.39029584  0.20894603  0.28479213
   0.17234238  0.31356295  0.00963936
   0.38259591  0.47111572  0.31404296
   0.55751989  0.34674314  0.18363660
   0.29030308  0.40347691  0.15272994
   0.20851267  0.13134754  0.42058671
  -0.04316028  0.23968586  0.38451636
  -0.00382914  0.02812814  0.52323272
   0.37860275  0.27744269  0.86941863
   0.05080603  0.27811082  0.56845775
   0.33200133  0.52181047  0.81243433
   0.49454043  0.35945775  0.70131878
   0.20815606  0.34619215  0.71498824
   0.21460446  0.08780250 -0.07320120
  -0.03946183  0.18012698  0.96962970
   0.19239983  0.58856034  0.00628939
   0.37030418  0.72282439  0.25966254
   0.19185737  0.84923270  0.05682252
   0.39962627  0.96228804  0.35533146
   0.45519264  0.95047626  0.17355950
   0.19323875  0.92333184  0.24529569
   0.29129960  0.67036265  0.44560762
   0.05118627  0.56061510  0.39257407
   0.28121549  0.35876465  0.52556262
   0.36032791  0.77601970  0.72166756
   0.06847058  0.76903808  0.51266290
   0.32912594  1.06203389  0.75809735
   0.50505402  0.97471685  0.62571215
   0.23097340  0.94600954  0.60533691
   0.22585236  0.76266962 -0.12382448
  -0.03190846  0.75369999  0.96630529
   0.65985085  0.06519685  0.07985058
   0.85073150  0.24501307  0.21349013
   0.58206773  0.28980131  0.00450323
   0.83770887  0.50318516  0.27453704
   0.01334625  0.48294502  0.11007253
   0.77149885  0.44512539  0.09616078
   0.69781068  0.24392012  0.37756313
   0.48021821  0.16061504  0.46220061
   0.71094935  0.06423914  0.52262968
   0.91568153  0.26426689  0.79825234
   0.64990798  0.32509939  0.56006703
   0.94023045  0.52937553  0.83365496
   1.11588599  0.56167857  0.59346031
   0.78249416  0.43830671  0.69088037
   0.73676763  0.11145069  0.88512452
   0.50107067  0.05552514  0.92368443
   0.53873713  0.54716777  0.03460065
   0.86425242  0.75659037  0.32912735
   0.56729635  0.82595422  0.02033622
   0.82765436  1.01589779  0.29929134
   0.95835950  0.89425377  0.16047037
   0.70497615  0.83867456  0.18224747
   0.78664876  0.56551989  0.45592410
   0.55416359  0.65409314  0.38582068
   0.55659225  0.56537484  0.55569895
   0.81110463  0.80053804  0.82543339
   0.68356477  0.79992244  0.51929629
   0.97216110  1.01154148  0.82363877
   1.00912444  0.84724274  0.67419272
   0.77135227  0.96983159  0.68764280
   0.74518777  0.63327810  0.95212538
   0.48236368  0.70619344  0.87322253
   0.64636991  0.78768795  0.69862029
   0.80783525  1.06607382  0.50375762
   1.04420341  0.36481554  0.22307459
   1.17726463  1.33415469  0.28402610
   0.18103453  0.41269545  0.26193020
   0.49647080  0.20687853  0.18423180
   0.33339492  1.31835546 -0.07978468
  -0.19258737  1.50231648  0.03530604
   0.70893854  0.40368125  0.86704037
   0.59902128  0.57793749  0.71390652
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791773    0.380387    0.058853
    -0.000000    9.809164    0.049070
    -0.000000    0.000000   13.754865
   Si   O    H 
    32    64    10
Direct configuration=  3837
   0.11434511  0.16205800  0.00506486
   0.36226828  0.11624761  0.38927744
   0.16484978  0.45767503  0.07023222
   0.40113495  0.35899593  0.23454660
   0.05870502  0.17441796  0.47404483
   0.35485493  0.10338540  0.86948676
   0.17001662  0.39034350  0.60259949
   0.35789999  0.37525792  0.75845811
   0.13341267  0.74261893 -0.02672760
   0.39485329  0.62244643  0.35732842
   0.11661182  0.93553220  0.14343633
   0.35585310  0.88681619  0.25513152
   0.14023060  0.62588827  0.48446146
   0.34301660  0.68212615  0.81306712
   0.07693316  0.90290873  0.57995627
   0.36406329  0.93438734  0.67731665
   0.62147210  0.13189674  0.97141235
   0.84474641  0.17801488  0.31860909
   0.60580745  0.41014555  0.07880589
   0.90204224  0.40171098  0.19716405
   0.62842875  0.21087222  0.48617411
   0.89877103  0.14859017  0.86885845
   0.62126227  0.45475492  0.64321744
   0.83211119  0.41203474  0.79966156
   0.58120836  0.67577679 -0.02921749
   0.88845648  0.59611892  0.36013115
   0.59578712  0.92177479  0.10984172
   0.85024138  0.87425088  0.24577162
   0.63915190  0.65257875  0.48275198
   0.87094935  0.67398090  0.88768812
   0.65540491  0.89211366  0.61669152
   0.89152758  0.89947210  0.74683561
   0.12230795  0.10075651  0.11347978
   0.38989094  0.20819325  0.28380350
   0.17275110  0.31269448  0.00800145
   0.38468669  0.46890035  0.31379996
   0.55752940  0.34689295  0.18180248
   0.28930536  0.40319986  0.15178339
   0.20868731  0.13214104  0.42092357
  -0.04304289  0.24113318  0.38671085
  -0.00476391  0.02869438  0.52304666
   0.38076457  0.27703116  0.86863982
   0.05055026  0.27749199  0.56700399
   0.33264628  0.52298567  0.81139117
   0.49522867  0.36116897  0.70080119
   0.20845646  0.34762281  0.71489274
   0.21555391  0.08698608 -0.07323554
  -0.03823479  0.17976325  0.96893423
   0.19186562  0.58701955  0.00563848
   0.36892753  0.72375757  0.25898353
   0.19263961  0.84869334  0.05653391
   0.39891094  0.96433935  0.35727375
   0.45532423  0.95050683  0.17283059
   0.19282172  0.92212110  0.24578467
   0.29093763  0.67063504  0.44698101
   0.04982237  0.56237690  0.39317737
   0.28116835  0.35801887  0.52693068
   0.36077159  0.77647749  0.71944907
   0.06794278  0.76805980  0.51198393
   0.32858219  1.06476583  0.75828341
   0.50462161  0.97553541  0.62441988
   0.23047263  0.94684602  0.60477882
   0.22574987  0.76280603 -0.12366319
  -0.03027570  0.75146022  0.96587016
   0.65746753  0.06582952  0.07913268
   0.85220572  0.24504931  0.21218176
   0.58282629  0.29000399  0.00360793
   0.83780927  0.50390116  0.27484527
   0.01461708  0.47917750  0.11095511
   0.77381200  0.44449060  0.09651997
   0.69956701  0.24198774  0.37853830
   0.47864887  0.16050012  0.46217789
   0.70967165  0.06332231  0.52436954
   0.91471556  0.26410477  0.79850150
   0.64886335  0.32688711  0.56086863
   0.93801779  0.52960518  0.83399397
   1.11420998  0.56142753  0.59345866
   0.78300920  0.43806362  0.68906627
   0.73574172  0.11215521  0.88598807
   0.50076385  0.05575458  0.92485460
   0.53646750  0.54856106  0.03398610
   0.86435445  0.75680358  0.32841679
   0.56561779  0.82644465  0.01951809
   0.82763363  1.01536112  0.29984100
   0.95694131  0.89468362  0.16046027
   0.70569163  0.83877852  0.18252199
   0.78724673  0.56602780  0.45638462
   0.55535415  0.65485057  0.38592091
   0.55632799  0.56563430  0.55692551
   0.81092903  0.80042604  0.82547741
   0.68516980  0.80111337  0.51928395
   0.97268096  1.01074034  0.82292637
   1.01124734  0.84768980  0.67432821
   0.77150001  0.96904820  0.68687112
   0.74513836  0.63426232  0.95113180
   0.48388360  0.70720031  0.87196227
   0.64431850  0.79367583  0.69190831
   0.81782171  1.06630471  0.50514184
   1.05056447  0.35472367  0.22709832
   1.16971877  1.34199790  0.27830384
   0.18478394  0.40984233  0.26598358
   0.48316089  0.19770844  0.16559923
   0.32671850  1.32894338 -0.06973593
  -0.19457015  1.50208271  0.04039826
   0.71013659  0.40649017  0.87034734
   0.60228445  0.56859671  0.71204374
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791894    0.376391    0.057922
    -0.000000    9.808563    0.051262
    -0.000000    0.000000   13.755682
   Si   O    H 
    32    64    10
Direct configuration=  3838
   0.11504644  0.16227641  0.00571569
   0.36170684  0.11739911  0.38962955
   0.16436511  0.45745999  0.07008546
   0.40091075  0.36000808  0.23474494
   0.06015558  0.17458711  0.47339163
   0.35448795  0.10268532  0.86940182
   0.16977116  0.39166124  0.60362530
   0.35725412  0.37418439  0.75900022
   0.13342812  0.74337016 -0.02700138
   0.39527105  0.62365134  0.35643548
   0.11781821  0.93634392  0.14251875
   0.35695594  0.88772477  0.25509703
   0.13986296  0.62575661  0.48399189
   0.34294790  0.68223427  0.81294100
   0.07772436  0.90404953  0.57992814
   0.36308957  0.93437291  0.67752758
   0.62186569  0.13236041  0.97071340
   0.84320137  0.17917170  0.31849147
   0.60448031  0.41004526  0.07854198
   0.90136910  0.39988817  0.19637337
   0.62919588  0.21159417  0.48569952
   0.89986640  0.14881047  0.86915719
   0.62139832  0.45180920  0.64459250
   0.83061877  0.41197431  0.79963555
   0.58197604  0.67706986 -0.03003884
   0.89026130  0.59694720  0.36100346
   0.59417406  0.92178275  0.10992944
   0.85044092  0.87355347  0.24602401
   0.64023056  0.65158140  0.48386759
   0.87097223  0.67476624  0.88767567
   0.65457638  0.89061976  0.61700261
   0.89197199  0.90017953  0.74779718
   0.12208504  0.09864584  0.11370822
   0.39007322  0.20664756  0.28227164
   0.17390078  0.31303366  0.00603777
   0.38635547  0.46784335  0.31388248
   0.55691820  0.34704856  0.18010868
   0.28889451  0.40301177  0.15077521
   0.20798187  0.13243289  0.42111852
  -0.04217560  0.24227987  0.38916332
  -0.00534044  0.02834085  0.52258215
   0.38263933  0.27700001  0.86836306
   0.05005785  0.27681702  0.56567306
   0.33386479  0.52332755  0.81053019
   0.49587186  0.36280690  0.69996065
   0.20842447  0.34781630  0.71421856
   0.21696881  0.08618698 -0.07349947
  -0.03609873  0.17957664  0.96896919
   0.19181278  0.58514202  0.00491277
   0.36759784  0.72370456  0.25872520
   0.19312942  0.84747521  0.05629131
   0.39774034  0.96606588  0.35872777
   0.45452235  0.95066018  0.17161272
   0.19304974  0.92117750  0.24583660
   0.29132181  0.67036056  0.44809548
   0.04862360  0.56426995  0.39353605
   0.28240224  0.35850335  0.52781286
   0.36172105  0.77676048  0.71692843
   0.06737452  0.76852864  0.51150613
   0.32829925  1.06700012  0.75856406
   0.50376838  0.97599962  0.62294620
   0.23013661  0.94773256  0.60380126
   0.22494139  0.76288877 -0.12335653
  -0.02846532  0.74918410  0.96496508
   0.65547111  0.06599482  0.07825875
   0.85403306  0.24543827  0.21088294
   0.58353156  0.29044450  0.00213591
   0.83819537  0.50552030  0.27508351
   0.01552404  0.47637292  0.11186735
   0.77565129  0.44360893  0.09588106
   0.70130321  0.24004059  0.37934041
   0.47704588  0.16083691  0.46208708
   0.70916417  0.06203940  0.52623872
   0.91486298  0.26453711  0.79876849
   0.64748360  0.32843581  0.56186052
   0.93642184  0.53045975  0.83448703
   1.11286812  0.56002886  0.59372572
   0.78312805  0.43789556  0.68706382
   0.73422593  0.11221603  0.88675707
   0.49894629  0.05585408  0.92634880
   0.53427816  0.55009166  0.03341409
   0.86382086  0.75714783  0.32824601
   0.56321538  0.82648523  0.01888180
   0.82781839  1.01555444  0.30035723
   0.95538015  0.89491617  0.16017321
   0.70626145  0.83822418  0.18290506
   0.78828900  0.56704639  0.45626652
   0.55555533  0.65592562  0.38614604
   0.55541537  0.56627838  0.55796442
   0.81010683  0.80055624  0.82532472
   0.68697977  0.80174167  0.51931495
   0.97269664  1.00983888  0.82203097
   1.01239644  0.84822681  0.67493729
   0.77154998  0.96798245  0.68597807
   0.74498241  0.63541860  0.95046157
   0.48552974  0.70779771  0.87125711
   0.63943181  0.79175927  0.68996205
   0.81626856  1.06392608  0.51197125
   1.05154319  0.34964080  0.23341841
   1.15940616  1.33517797  0.27887682
   0.19013602  0.41033267  0.26990253
   0.47171901  0.19079037  0.14907268
   0.32420033  1.33589219 -0.06415291
  -0.19452824  1.50024482  0.04671535
   0.71764554  0.40932345  0.87105414
   0.60308125  0.56265272  0.71562914
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.791944    0.372633    0.056751
    -0.000000    9.808301    0.053161
    -0.000000    0.000000   13.757178
   Si   O    H 
    32    64    10
Direct configuration=  3839
   0.11522511  0.16269178  0.00619909
   0.36179374  0.11839863  0.38938339
   0.16445818  0.45673636  0.07014524
   0.40069792  0.36026969  0.23492357
   0.06153216  0.17439378  0.47292585
   0.35409533  0.10242103  0.86945660
   0.16878420  0.39232234  0.60493711
   0.35690749  0.37244599  0.75913949
   0.13378483  0.74436642 -0.02767793
   0.39535865  0.62489503  0.35611507
   0.11899400  0.93628154  0.14170085
   0.35781776  0.88858067  0.25553232
   0.13949014  0.62569377  0.48346942
   0.34256936  0.68252340  0.81255373
   0.07834341  0.90542774  0.57973066
   0.36207918  0.93482847  0.67776098
   0.62239491  0.13332924  0.96985900
   0.84036584  0.18023650  0.31885254
   0.60277069  0.41025879  0.07829805
   0.90051386  0.39794966  0.19578805
   0.63008123  0.21210626  0.48565981
   0.90072457  0.14871537  0.86922191
   0.62110674  0.44896195  0.64571179
   0.82874164  0.41217599  0.79922042
   0.58279299  0.67832200 -0.03118654
   0.89218983  0.59708927  0.36195754
   0.59273092  0.92099616  0.11019208
   0.84983690  0.87283756  0.24633962
   0.64142059  0.65045695  0.48544362
   0.87125614  0.67531533  0.88728072
   0.65434101  0.88999856  0.61727245
   0.89209960  0.90178866  0.74856514
   0.12241422  0.09736317  0.11392075
   0.39081455  0.20494492  0.28114172
   0.17544034  0.31405609  0.00386130
   0.38831064  0.46783061  0.31444461
   0.55573120  0.34712185  0.17867660
   0.28832042  0.40370490  0.14957635
   0.20650983  0.13267893  0.42149101
  -0.04132576  0.24311846  0.39135148
  -0.00629766  0.02821179  0.52198333
   0.38370312  0.27737309  0.86871246
   0.05018038  0.27598822  0.56471010
   0.33510276  0.52319014  0.81036810
   0.49506767  0.36452637  0.69923542
   0.20872006  0.34749355  0.71353149
   0.21797365  0.08548531 -0.07320859
  -0.03409056  0.17934919  0.96926868
   0.19185524  0.58338498  0.00446412
   0.36596428  0.72363166  0.25807409
   0.19312071  0.84708785  0.05603045
   0.39608457  0.96689047  0.36014704
   0.45351210  0.95152022  0.17071598
   0.19398192  0.92049524  0.24583851
   0.29221734  0.67046505  0.44925508
   0.04755659  0.56659107  0.39357555
   0.28341829  0.35864457  0.52814601
   0.36242132  0.77669836  0.71458047
   0.06752110  0.76998644  0.51115276
   0.32843257  1.06964613  0.75886910
   0.50349065  0.97700991  0.62211048
   0.23006190  0.94945225  0.60348549
   0.22428385  0.76336224 -0.12329668
  -0.02660184  0.74643007  0.96465216
   0.65259430  0.06505194  0.07713321
   0.85418304  0.24518792  0.20971292
   0.58397607  0.29052834  0.00050833
   0.83774613  0.50602023  0.27540590
   0.01644566  0.47383383  0.11281481
   0.77735843  0.44245949  0.09588431
   0.70253364  0.23866779  0.37984163
   0.47634702  0.16044260  0.46219772
   0.70896113  0.06074909  0.52826583
   0.91515481  0.26636566  0.79889163
   0.64627628  0.32997697  0.56245623
   0.93502214  0.53115036  0.83507165
   1.11185463  0.55858198  0.59406570
   0.78333415  0.43765557  0.68521864
   0.73293689  0.11233435  0.88782994
   0.49605327  0.05561735  0.92733086
   0.53266841  0.55120653  0.03345378
   0.86377354  0.75777725  0.32809145
   0.56081091  0.82582526  0.01825898
   0.82824622  1.01661041  0.30086203
   0.95448850  0.89442290  0.15959332
   0.70671326  0.83642192  0.18317522
   0.78867640  0.56832496  0.45647933
   0.55552063  0.65666136  0.38585150
   0.55452759  0.56630815  0.55909482
   0.80960003  0.79986095  0.82443192
   0.68844265  0.80248616  0.51924517
   0.97247137  1.00891199  0.82109962
   1.01262893  0.84861561  0.67590232
   0.77109335  0.96671685  0.68508596
   0.74446344  0.63596499  0.95026564
   0.48709953  0.70813629  0.87078112
   0.63150773  0.78353149  0.68973200
   0.80547056  1.05857544  0.52151081
   1.04327088  0.34473267  0.23966470
   1.15297072  1.33605181  0.28031631
   0.19251088  0.40603691  0.27622048
   0.46294087  0.18569197  0.13508378
   0.32593976  1.33364172 -0.06758887
  -0.19117409  1.50464965  0.04625123
   0.72756391  0.41313822  0.87309905
   0.60101597  0.56066946  0.72086055
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.792535    0.369532    0.055076
    -0.000000    9.808442    0.055033
    -0.000000    0.000000   13.758785
   Si   O    H 
    32    64    10
Direct configuration=  3840
   0.11598106  0.16295525  0.00659263
   0.36204905  0.11968845  0.38880381
   0.16491306  0.45566976  0.07045751
   0.40090216  0.36024500  0.23468786
   0.06276373  0.17417671  0.47270388
   0.35388046  0.10163704  0.86940963
   0.16826678  0.39355619  0.60577292
   0.35624780  0.37177513  0.75936048
   0.13389879  0.74530919 -0.02844695
   0.39563276  0.62578723  0.35570655
   0.11957640  0.93655799  0.14129359
   0.35847633  0.88954903  0.25591649
   0.13899926  0.62635999  0.48285134
   0.34244063  0.68317775  0.81222172
   0.07918748  0.90558897  0.57939491
   0.36115729  0.93507485  0.67778785
   0.62304656  0.13408696  0.96912040
   0.83759643  0.18140927  0.31939086
   0.60128509  0.41034253  0.07819797
   0.90041085  0.39641950  0.19494245
   0.63064557  0.21228848  0.48551155
   0.90123172  0.14755073  0.86958874
   0.62025336  0.44643391  0.64614786
   0.82697461  0.41256689  0.79899681
   0.58328340  0.67955510 -0.03231361
   0.89370600  0.59782206  0.36269425
   0.59161478  0.92047250  0.11047660
   0.84931069  0.87206404  0.24650775
   0.64263850  0.64939426  0.48650025
   0.87241390  0.67555101  0.88676574
   0.65402640  0.88975511  0.61741529
   0.89268699  0.90284655  0.74977728
   0.12285746  0.09591450  0.11362025
   0.39152009  0.20404155  0.28083920
   0.17781772  0.31513540  0.00184104
   0.39033272  0.46806690  0.31476522
   0.55462647  0.34686108  0.17779984
   0.28790469  0.40487755  0.14876201
   0.20491396  0.13268723  0.42221446
  -0.04051029  0.24291557  0.39300002
  -0.00708692  0.02855619  0.52114632
   0.38470563  0.27847701  0.86879981
   0.05048423  0.27509846  0.56376195
   0.33603880  0.52349734  0.81064473
   0.49506830  0.36563774  0.69857417
   0.20943607  0.34751296  0.71288433
   0.21883890  0.08524973 -0.07317623
  -0.03246390  0.17889138  0.96960251
   0.19101262  0.58228921  0.00407161
   0.36438116  0.72324907  0.25661502
   0.19198707  0.84576262  0.05628485
   0.39413433  0.96674469  0.36098312
   0.45102119  0.95220283  0.17022866
   0.19517429  0.91945721  0.24549744
   0.29283025  0.67021826  0.45011527
   0.04648394  0.56867915  0.39398927
   0.28483325  0.35937191  0.52915035
   0.36272009  0.77718273  0.71267010
   0.06748713  0.77150428  0.51019457
   0.32817493  1.07131386  0.75883632
   0.50269537  0.97699819  0.62155498
   0.23030952  0.95134649  0.60344029
   0.22406326  0.76464860 -0.12365956
  -0.02555331  0.74422685  0.96390690
   0.64869715  0.06400333  0.07611501
   0.85469026  0.24538354  0.20831450
   0.58471106  0.29088728 -0.00059244
   0.83723517  0.50668391  0.27578005
   0.01694063  0.47072098  0.11382570
   0.77916949  0.44119346  0.09578695
   0.70389597  0.23680982  0.38066235
   0.47503932  0.15973508  0.46265142
   0.70799019  0.06040130  0.53020679
   0.91535865  0.26822508  0.79835337
   0.64488754  0.33093756  0.56242987
   0.93481693  0.53208710  0.83560561
   1.11147948  0.55654214  0.59420068
   0.78391741  0.43834870  0.68390489
   0.73302487  0.11224161  0.88909682
   0.49383427  0.05504849  0.92784570
   0.53098406  0.55205175  0.03409942
   0.86378432  0.75759378  0.32755759
   0.55839860  0.82555674  0.01725619
   0.82838183  1.01810089  0.30144794
   0.95484701  0.89437531  0.15908712
   0.70733209  0.83478987  0.18269210
   0.78839268  0.56913293  0.45643909
   0.55524981  0.65741892  0.38528461
   0.55334510  0.56621044  0.56063766
   0.80986898  0.79958617  0.82324423
   0.69037916  0.80271257  0.51855027
   0.97226882  1.00774550  0.82038093
   1.01230441  0.84851254  0.67751338
   0.77046234  0.96543617  0.68470281
   0.74371257  0.63676530  0.95027015
   0.48965411  0.70737586  0.87040222
   0.62332462  0.77410527  0.68986001
   0.80146632  1.05029388  0.52848785
   1.02881712  0.34582130  0.24318783
   1.15591742  1.33390529  0.28464788
   0.19426843  0.39724676  0.28425435
   0.45771296  0.18278689  0.12380472
   0.33541997  1.32656932 -0.07285834
  -0.18885085  1.50870957  0.04315532
   0.73125430  0.41535897  0.87669589
   0.59979675  0.56283887  0.72405165
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.793267    0.366546    0.053307
    -0.000000    9.808268    0.056403
    -0.000000    0.000000   13.760114
   Si   O    H 
    32    64    10
Direct configuration=  3841
   0.11700814  0.16312246  0.00730516
   0.36217469  0.12130623  0.38834612
   0.16527822  0.45441400  0.07057367
   0.40067247  0.35992940  0.23480655
   0.06302447  0.17416568  0.47271982
   0.35386746  0.10093694  0.86955693
   0.16741971  0.39452008  0.60568831
   0.35572025  0.37145655  0.75937519
   0.13441797  0.74601470 -0.02881087
   0.39597125  0.62672232  0.35546727
   0.11928672  0.93654580  0.14092177
   0.35924352  0.89017408  0.25613948
   0.13816494  0.62742105  0.48247949
   0.34263624  0.68437931  0.81164700
   0.08013585  0.90553412  0.57909322
   0.35981499  0.93605285  0.67759658
   0.62337575  0.13524606  0.96824727
   0.83542012  0.18229816  0.31985257
   0.60061439  0.41043481  0.07780830
   0.90040584  0.39566761  0.19426012
   0.63105894  0.21202744  0.48534004
   0.90126287  0.14552020  0.86965229
   0.61946640  0.44476201  0.64689024
   0.82627066  0.41363193  0.79828651
   0.58318941  0.68010033 -0.03308056
   0.89440003  0.59867355  0.36321007
   0.59038526  0.91913671  0.11093121
   0.84834067  0.87116560  0.24657847
   0.64447854  0.64825772  0.48728660
   0.87367225  0.67586790  0.88602649
   0.65374090  0.88948541  0.61731139
   0.89303832  0.90396611  0.75074569
   0.12352657  0.09470247  0.11370917
   0.39226475  0.20359621  0.27991818
   0.17968400  0.31620717  0.00005549
   0.39178123  0.46981869  0.31519756
   0.55358308  0.34658456  0.17635177
   0.28801926  0.40679614  0.14781288
   0.20393412  0.13240383  0.42217314
  -0.03963288  0.24179219  0.39457790
  -0.00714395  0.02874433  0.51992933
   0.38608742  0.27991664  0.86923623
   0.05030577  0.27491200  0.56310676
   0.33634901  0.52359371  0.81096515
   0.49528425  0.36590592  0.69782457
   0.20972847  0.34689932  0.71306966
   0.21856055  0.08473668 -0.07295518
  -0.03093460  0.17894685  0.96981342
   0.18927748  0.58205320  0.00375179
   0.36366832  0.72195947  0.25510518
   0.19027720  0.84440633  0.05636742
   0.39275449  0.96488738  0.36119567
   0.44825754  0.95217541  0.16958938
   0.19619304  0.91897591  0.24505834
   0.29403429  0.66931384  0.45045690
   0.04674405  0.57056132  0.39415446
   0.28606446  0.36037408  0.53030983
   0.36302097  0.77738845  0.71145165
   0.06725220  0.77282911  0.50994338
   0.32783882  1.07283839  0.75891242
   0.50200445  0.97708331  0.62143189
   0.23073381  0.95319013  0.60357176
   0.22461859  0.76596148 -0.12397192
  -0.02505822  0.74233725  0.96349468
   0.64545675  0.06338667  0.07483691
   0.85447590  0.24452387  0.20713802
   0.58492259  0.29137782 -0.00118742
   0.83662603  0.50677818  0.27595957
   0.01730434  0.46781030  0.11487094
   0.77992756  0.44046063  0.09534513
   0.70506206  0.23465734  0.38150715
   0.47420777  0.15913732  0.46299414
   0.70560132  0.06060437  0.53163322
   0.91501481  0.27001881  0.79771778
   0.64466872  0.33169617  0.56215534
   0.93471636  0.53233180  0.83631813
   1.11051028  0.55459394  0.59441658
   0.78497092  0.43913664  0.68325954
   0.73435334  0.11235018  0.89007911
   0.49074213  0.05522311  0.92747056
   0.52919827  0.55254362  0.03461151
   0.86386641  0.75711553  0.32708385
   0.55614269  0.82539689  0.01654828
   0.82816693  1.01902807  0.30165708
   0.95649163  0.89433827  0.15887182
   0.70791902  0.83269645  0.18171369
   0.78896521  0.56970142  0.45682102
   0.55465000  0.65844300  0.38532701
   0.55176198  0.56568004  0.56236032
   0.81049710  0.79874688  0.82255560
   0.69191749  0.80292804  0.51785205
   0.97171617  1.00695236  0.81949539
   1.01176678  0.84740843  0.67907346
   0.76946962  0.96501405  0.68404192
   0.74325803  0.63683762  0.95072832
   0.49165153  0.70705231  0.86995493
   0.61762363  0.76515161  0.68574019
   0.81126932  1.04324024  0.53296041
   1.01908616  0.35181131  0.24692881
   1.16061196  1.32753717  0.28989958
   0.19786960  0.39290905  0.29205963
   0.45426889  0.17957836  0.11338695
   0.34365367  1.31928157 -0.07879687
  -0.19022159  1.50962971  0.04520966
   0.73061604  0.41754475  0.88058554
   0.59729714  0.56502704  0.72370781
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.793767    0.363330    0.051597
    -0.000000    9.808086    0.058056
    -0.000000    0.000000   13.761962
   Si   O    H 
    32    64    10
Direct configuration=  3842
   0.11854931  0.16308760  0.00805725
   0.36213845  0.12303888  0.38797274
   0.16580206  0.45290127  0.07071393
   0.39969036  0.35917614  0.23448740
   0.06323153  0.17365338  0.47281376
   0.35437330  0.10026413  0.86917243
   0.16629302  0.39503858  0.60536083
   0.35444409  0.37113655  0.75958063
   0.13490144  0.74651564 -0.02920158
   0.39653782  0.62722187  0.35496854
   0.12004452  0.93644133  0.14053163
   0.35970359  0.89131054  0.25644184
   0.13717914  0.62857468  0.48227459
   0.34299622  0.68555242  0.81129002
   0.08103497  0.90502072  0.57876606
   0.35908122  0.93723693  0.67717358
   0.62310197  0.13679623  0.96721312
   0.83374349  0.18295366  0.32076204
   0.60057671  0.41090968  0.07773471
   0.89995142  0.39534413  0.19323775
   0.63071700  0.21165553  0.48544646
   0.90152973  0.14328365  0.86958513
   0.61888829  0.44377426  0.64771277
   0.82659563  0.41484206  0.79785564
   0.58271949  0.68073986 -0.03437611
   0.89494351  0.59970621  0.36369981
   0.58959838  0.91755476  0.11111898
   0.84701847  0.87017139  0.24675421
   0.64540047  0.64729695  0.48798161
   0.87488796  0.67676607  0.88537960
   0.65373478  0.88967284  0.61726882
   0.89330560  0.90454356  0.75122681
   0.12419372  0.09356985  0.11427433
   0.39257960  0.20358967  0.27884801
   0.18098579  0.31712634 -0.00116129
   0.39338848  0.47064266  0.31586879
   0.55293479  0.34745732  0.17560410
   0.28788888  0.40810979  0.14714090
   0.20359047  0.13213366  0.42257343
  -0.03932396  0.24061895  0.39606308
  -0.00635865  0.02921696  0.51879999
   0.38716495  0.28070604  0.86847079
   0.05007107  0.27523725  0.56328996
   0.33628467  0.52372276  0.81071900
   0.49516450  0.36569388  0.69756743
   0.20969282  0.34582986  0.71358199
   0.21812771  0.08428675 -0.07267919
  -0.02949649  0.17988886  0.97026995
   0.18789217  0.58277884  0.00419533
   0.36358945  0.72040405  0.25399113
   0.18900562  0.84340405  0.05662036
   0.39125698  0.96252147  0.36185317
   0.44508913  0.95255827  0.16923225
   0.19701656  0.91942277  0.24445908
   0.29571304  0.66761159  0.45080335
   0.04788915  0.57226404  0.39406979
   0.28729991  0.36160113  0.53066127
   0.36212636  0.77714852  0.71000921
   0.06830803  0.77448512  0.50892094
   0.32679475  1.07366334  0.75857280
   0.50084991  0.97660637  0.62173302
   0.23087773  0.95594109  0.60288076
   0.22514472  0.76729170 -0.12495827
  -0.02515479  0.74082748  0.96291137
   0.64343262  0.06374360  0.07358054
   0.85372812  0.24253902  0.20687614
   0.58488075  0.29193369 -0.00129325
   0.83645730  0.50731723  0.27582978
   0.01700139  0.46519221  0.11600934
   0.77926282  0.44065673  0.09562379
   0.70622728  0.23269041  0.38209054
   0.47390428  0.15883762  0.46347106
   0.70409748  0.06154323  0.53347243
   0.91447981  0.27148990  0.79683421
   0.64455197  0.33230152  0.56164936
   0.93418910  0.53266261  0.83677314
   1.11023728  0.55325688  0.59443940
   0.78673362  0.43995121  0.68319666
   0.73640883  0.11276928  0.89068813
   0.48790118  0.05530641  0.92726660
   0.52722670  0.55180531  0.03494346
   0.86409733  0.75673109  0.32605442
   0.55412982  0.82495829  0.01657237
   0.82804019  1.01969721  0.30177114
   0.95905600  0.89455632  0.15867418
   0.70784034  0.83121932  0.18060803
   0.78927257  0.57039482  0.45674587
   0.55420943  0.65946172  0.38585702
   0.55042637  0.56543413  0.56414225
   0.81054677  0.79735042  0.82190397
   0.69274515  0.80278860  0.51703572
   0.97148940  1.00699848  0.81888927
   1.01171008  0.84659044  0.68045324
   0.76786240  0.96430874  0.68346600
   0.74286277  0.63698833  0.95063379
   0.49349116  0.70704726  0.86919879
   0.61188943  0.75976358  0.68187224
   0.81516995  1.03769126  0.53472652
   1.02647557  0.35673807  0.25373176
   1.16205937  1.32086782  0.29238803
   0.20051719  0.38427186  0.30144475
   0.45598770  0.17645676  0.10175138
   0.34251773  1.32318585 -0.07134684
  -0.19286340  1.50999223  0.05145326
   0.72815700  0.42018907  0.88456596
   0.59648372  0.56381818  0.71967488
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.794318    0.359700    0.049458
    -0.000000    9.807507    0.059891
    -0.000000    0.000000   13.763836
   Si   O    H 
    32    64    10
Direct configuration=  3843
   0.12047266  0.16285152  0.00869736
   0.36173968  0.12471291  0.38720418
   0.16663471  0.45104403  0.07034025
   0.39928162  0.35893474  0.23389374
   0.06312140  0.17303141  0.47289954
   0.35441790  0.09975953  0.86906855
   0.16536994  0.39451755  0.60427922
   0.35352636  0.37141164  0.76003263
   0.13530611  0.74650464 -0.02949320
   0.39759692  0.62720778  0.35492648
   0.12058274  0.93622470  0.14076604
   0.35976859  0.89179752  0.25669574
   0.13722055  0.62972989  0.48241756
   0.34334404  0.68639226  0.81100333
   0.08167459  0.90442688  0.57827584
   0.35867136  0.93860428  0.67672345
   0.62220705  0.13752101  0.96686546
   0.83265579  0.18320634  0.32140301
   0.60032444  0.41178294  0.07754855
   0.90020922  0.39578107  0.19225760
   0.63058722  0.21089236  0.48589287
   0.90121362  0.14118413  0.86936290
   0.61854272  0.44333838  0.64854975
   0.82697762  0.41609510  0.79729132
   0.58205811  0.68105218 -0.03575905
   0.89461511  0.60053129  0.36417935
   0.58918473  0.91598783  0.11153450
   0.84549950  0.86932150  0.24640160
   0.64634215  0.64652432  0.48861764
   0.87559464  0.67777613  0.88458607
   0.65322506  0.88972127  0.61676936
   0.89354622  0.90522219  0.75158256
   0.12415467  0.09327849  0.11485116
   0.39207655  0.20408480  0.27750687
   0.18292622  0.31831455 -0.00226642
   0.39507431  0.47205569  0.31704651
   0.55204190  0.34787512  0.17581021
   0.28845279  0.40910859  0.14655108
   0.20356101  0.13099805  0.42264578
  -0.04007840  0.23916457  0.39706006
  -0.00461573  0.02954344  0.51794750
   0.38797556  0.28115952  0.86728591
   0.04973308  0.27687184  0.56356918
   0.33681587  0.52411723  0.81018039
   0.49516874  0.36448680  0.69757711
   0.20947074  0.34401886  0.71424846
   0.21807547  0.08399710 -0.07183069
  -0.02796257  0.18085291  0.97040828
   0.18608395  0.58473360  0.00481706
   0.36395492  0.71883625  0.25343363
   0.18679918  0.84258591  0.05696979
   0.39041461  0.96067756  0.36277438
   0.44293257  0.95321134  0.16880814
   0.19824343  0.91977179  0.24398243
   0.29644782  0.66657479  0.45065083
   0.04958784  0.57320500  0.39380363
   0.28843942  0.36318229  0.53132884
   0.36163058  0.77725679  0.70939796
   0.06931635  0.77603867  0.50824253
   0.32619012  1.07348315  0.75881129
   0.49974963  0.97617449  0.62300989
   0.23107120  0.95849355  0.60253990
   0.22587676  0.76864716 -0.12560832
  -0.02455150  0.74039221  0.96216213
   0.64149872  0.06379981  0.07260564
   0.85288962  0.24049178  0.20690270
   0.58504554  0.29287613 -0.00105996
   0.83632282  0.50850573  0.27568501
   0.01696310  0.46189240  0.11757659
   0.77844220  0.44076142  0.09583270
   0.70702579  0.23105418  0.38263365
   0.47403505  0.15837437  0.46441783
   0.70338550  0.06178873  0.53524751
   0.91394925  0.27238080  0.79551555
   0.64477358  0.33249359  0.56135598
   0.93368419  0.53300255  0.83674852
   1.11004700  0.55206791  0.59379819
   0.78796180  0.43976546  0.68297199
   0.73959689  0.11382565  0.89086879
   0.48524490  0.05603036  0.92743037
   0.52529081  0.55146522  0.03562150
   0.86546851  0.75578470  0.32553282
   0.55374369  0.82467883  0.01714112
   0.82771148  1.01988357  0.30129485
   0.96231794  0.89484012  0.15834520
   0.70761173  0.82981853  0.17977496
   0.79075969  0.57100608  0.45678742
   0.55352773  0.66075827  0.38692266
   0.54966745  0.56561655  0.56544626
   0.81087320  0.79595580  0.82103802
   0.69362143  0.80332776  0.51620280
   0.97116583  1.00726202  0.81919852
   1.01171817  0.84556543  0.68146908
   0.76639559  0.96353715  0.68304681
   0.74237846  0.63770043  0.94992108
   0.49573362  0.70672085  0.86815876
   0.60903645  0.75741472  0.67778336
   0.80921872  1.04149056  0.53405099
   1.04130348  0.35832280  0.26111023
   1.16227705  1.31646029  0.29357440
   0.20284547  0.37411375  0.31115631
   0.46137689  0.17507265  0.08868460
   0.34195829  1.33017524 -0.06278725
  -0.19177498  1.51148857  0.05626214
   0.72884720  0.42031068  0.88431463
   0.59579318  0.56665954  0.71501999
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.795094    0.356025    0.047375
    -0.000000    9.806573    0.061945
    -0.000000    0.000000   13.766067
   Si   O    H 
    32    64    10
Direct configuration=  3844
   0.12308958  0.16231504  0.00957523
   0.36145297  0.12569334  0.38680972
   0.16731536  0.44928753  0.07007054
   0.39941585  0.35831728  0.23310826
   0.06194488  0.17253465  0.47331153
   0.35437526  0.09981630  0.86875291
   0.16439041  0.39352625  0.60264781
   0.35335073  0.37224706  0.76058236
   0.13564195  0.74688373 -0.02925994
   0.39833428  0.62734741  0.35477264
   0.12080499  0.93599995  0.14096406
   0.35906436  0.89179044  0.25676545
   0.13729375  0.63089223  0.48268172
   0.34415031  0.68738743  0.81105597
   0.08175562  0.90362473  0.57793282
   0.35767733  0.93998944  0.67697380
   0.62137319  0.13805617  0.96694745
   0.83165895  0.18429498  0.32204395
   0.60066736  0.41249752  0.07762087
   0.90080903  0.39621805  0.19101739
   0.63052578  0.20975357  0.48653645
   0.90005729  0.13974311  0.86929421
   0.61826574  0.44278544  0.64937646
   0.82742571  0.41638700  0.79669219
   0.58105336  0.68132771 -0.03634035
   0.89390026  0.60099226  0.36450098
   0.58928054  0.91440335  0.11180242
   0.84369470  0.86874791  0.24575467
   0.64667874  0.64596466  0.48905848
   0.87669863  0.67880566  0.88419353
   0.65256489  0.88946049  0.61602310
   0.89285285  0.90577137  0.75181686
   0.12355955  0.09320080  0.11511601
   0.39095183  0.20446940  0.27634542
   0.18441030  0.31913424 -0.00323423
   0.39674303  0.47371702  0.31819441
   0.55107451  0.34815704  0.17651884
   0.28894123  0.40958131  0.14594026
   0.20347106  0.13062256  0.42241551
  -0.04181882  0.23842994  0.39737043
  -0.00373889  0.02992241  0.51691092
   0.38696361  0.28242346  0.86668953
   0.04922370  0.27806416  0.56360184
   0.33799092  0.52483225  0.81001051
   0.49537801  0.36340826  0.69760049
   0.20891506  0.34224473  0.71522781
   0.21782128  0.08437730 -0.07108934
  -0.02790727  0.18221800  0.97052525
   0.18477492  0.58683321  0.00494828
   0.36431902  0.71868181  0.25320973
   0.18593502  0.84273597  0.05703002
   0.38952362  0.95760822  0.36362438
   0.44230846  0.95424943  0.16781085
   0.19944960  0.92047412  0.24354404
   0.29795097  0.66559556  0.45083590
   0.05169989  0.57424842  0.39340391
   0.28961104  0.36477323  0.53160428
   0.36062195  0.77678768  0.70955819
   0.06953429  0.77750641  0.50801641
   0.32627009  1.07318030  0.75851900
   0.49915615  0.97569003  0.62420832
   0.23107657  0.96105523  0.60232598
   0.22614185  0.76987288 -0.12611881
  -0.02449611  0.74066148  0.96064153
   0.63922331  0.06333093  0.07193976
   0.85144403  0.23873308  0.20743062
   0.58483697  0.29301544 -0.00056457
   0.83590354  0.50990852  0.27463624
   0.01709228  0.45908974  0.11921441
   0.77691262  0.44047113  0.09645676
   0.70703079  0.23044921  0.38319505
   0.47388810  0.15811213  0.46540327
   0.70356035  0.06113148  0.53695847
   0.91352380  0.27285240  0.79419671
   0.64491178  0.33209649  0.56098754
   0.93324703  0.53404123  0.83673910
   1.10926088  0.55112988  0.59330636
   0.78872878  0.44079866  0.68304518
   0.74314686  0.11486789  0.89117140
   0.48322458  0.05671286  0.92801006
   0.52379916  0.55091691  0.03581291
   0.86724885  0.75547356  0.32541802
   0.55314727  0.82403565  0.01805099
   0.82793767  1.01996816  0.30096879
   0.96585029  0.89484452  0.15840289
   0.70677879  0.83018043  0.17948739
   0.79206145  0.57101531  0.45641685
   0.55310656  0.66125743  0.38728423
   0.54874631  0.56540646  0.56620303
   0.81126002  0.79373082  0.81983703
   0.69474888  0.80396025  0.51515862
   0.97003784  1.00770820  0.81929854
   1.01257126  0.84435256  0.68192491
   0.76519523  0.96293143  0.68276058
   0.74263989  0.63935262  0.94946968
   0.49734652  0.70655373  0.86662373
   0.60981449  0.75793096  0.67444553
   0.79996800  1.04823262  0.53340687
   1.04696842  0.36307119  0.26235273
   1.16774139  1.31030913  0.29531125
   0.20260010  0.37056713  0.31972147
   0.46614137  0.17275296  0.07549715
   0.34125018  1.33204176 -0.06026304
  -0.19064794  1.52447388  0.05556325
   0.73405785  0.41459893  0.88320530
   0.59412255  0.57066738  0.71308932
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.795995    0.352448    0.045652
    -0.000000    9.805272    0.063754
    -0.000000    0.000000   13.768525
   Si   O    H 
    32    64    10
Direct configuration=  3845
   0.12545008  0.16214871  0.01042203
   0.36143430  0.12651862  0.38635542
   0.16767908  0.44767637  0.07009124
   0.39957189  0.35802533  0.23243686
   0.06076205  0.17235009  0.47417253
   0.35426997  0.09958579  0.86822991
   0.16378083  0.39175534  0.60098576
   0.35333855  0.37296899  0.76122137
   0.13604238  0.74666497 -0.02896728
   0.39889684  0.62811705  0.35456884
   0.12100524  0.93537900  0.14138313
   0.35900113  0.89193341  0.25740047
   0.13771377  0.63185275  0.48339214
   0.34537582  0.68803376  0.81138352
   0.08161070  0.90333715  0.57750156
   0.35712506  0.94191154  0.67733338
   0.62086870  0.13855932  0.96735096
   0.83140679  0.18510821  0.32275271
   0.60078241  0.41289263  0.07730943
   0.90129624  0.39628423  0.19022868
   0.63078459  0.20887526  0.48718283
   0.89924732  0.13849111  0.86882376
   0.61800831  0.44293980  0.64981047
   0.82734344  0.41650331  0.79606559
   0.57968755  0.68203691 -0.03718734
   0.89267008  0.60172781  0.36451195
   0.59026931  0.91314824  0.11212912
   0.84264600  0.86895535  0.24475262
   0.64679514  0.64516553  0.48913272
   0.87711308  0.67979792  0.88383530
   0.65157016  0.88880930  0.61529385
   0.89197661  0.90565334  0.75185471
   0.12227588  0.09440195  0.11572268
   0.38999904  0.20545963  0.27584898
   0.18560524  0.31968244 -0.00430660
   0.39883431  0.47527256  0.31901541
   0.55003848  0.34906126  0.17769051
   0.28991920  0.40974580  0.14615345
   0.20347138  0.13029437  0.42237647
  -0.04428214  0.23717399  0.39733115
  -0.00309693  0.03111856  0.51586599
   0.38531006  0.28436616  0.86596422
   0.04885288  0.27977843  0.56345133
   0.33871885  0.52551978  0.81036196
   0.49542317  0.36072508  0.69796754
   0.20763884  0.34143964  0.71657241
   0.21756377  0.08496821 -0.07048202
  -0.02865599  0.18294883  0.97067947
   0.18467925  0.58835564  0.00542646
   0.36527351  0.71837167  0.25375416
   0.18478413  0.84345347  0.05671569
   0.38852322  0.95619083  0.36454637
   0.44248851  0.95453574  0.16624234
   0.20063546  0.92057559  0.24309270
   0.29882906  0.66394281  0.45045251
   0.05399236  0.57516059  0.39204343
   0.29119741  0.36722672  0.53166399
   0.36045230  0.77623529  0.71006501
   0.07039700  0.77883202  0.50766098
   0.32616382  1.07293504  0.75759002
   0.49845514  0.97543283  0.62513840
   0.23139742  0.96290486  0.60241531
   0.22704686  0.77071093 -0.12694538
  -0.02432268  0.74069599  0.95935748
   0.63643213  0.06304193  0.07140631
   0.85098182  0.23755296  0.20832484
   0.58503163  0.29252938 -0.00074492
   0.83575844  0.51150442  0.27341679
   0.01674212  0.45711352  0.12083896
   0.77506662  0.44047620  0.09715449
   0.70663634  0.23033701  0.38394965
   0.47418797  0.15813533  0.46633674
   0.70381203  0.06084284  0.53805641
   0.91412471  0.27292125  0.79289021
   0.64564924  0.33061436  0.56051131
   0.93234766  0.53551508  0.83691285
   1.10923074  0.55004259  0.59209365
   0.78834952  0.44187663  0.68322049
   0.74572826  0.11602620  0.89163502
   0.48233278  0.05685973  0.92777792
   0.52253807  0.55037437  0.03565936
   0.86967335  0.75482781  0.32556442
   0.55260307  0.82285331  0.01875336
   0.82823738  1.02025116  0.30085145
   0.96830696  0.89467390  0.15897147
   0.70566858  0.83003494  0.17901984
   0.79300310  0.57085146  0.45682249
   0.55314236  0.66142388  0.38823869
   0.54853535  0.56570320  0.56653799
   0.81234979  0.79282649  0.81818424
   0.69608652  0.80452425  0.51410590
   0.96902160  1.00904435  0.81948264
   1.01296509  0.84343122  0.68217010
   0.76431666  0.96176405  0.68266086
   0.74251061  0.64094687  0.94934674
   0.49760080  0.70679327  0.86511375
   0.61416461  0.75814733  0.67127392
   0.79862024  1.05256729  0.53162070
   1.04520565  0.36641162  0.25961085
   1.17490853  1.31030737  0.29882371
   0.20134925  0.36428257  0.32483003
   0.47025464  0.17143682  0.06413952
   0.33959952  1.32973172 -0.06681968
  -0.18837281  1.53051436  0.06188239
   0.74007891  0.40843771  0.88045013
   0.59267684  0.56978833  0.71195356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796617    0.349723    0.044047
    -0.000000    9.804090    0.066065
    -0.000000    0.000000   13.770333
   Si   O    H 
    32    64    10
Direct configuration=  3846
   0.12710778  0.16216983  0.01155608
   0.36127284  0.12673192  0.38587665
   0.16779990  0.44613555  0.06983831
   0.40024258  0.35756777  0.23214071
   0.05949545  0.17260617  0.47543565
   0.35417974  0.09992897  0.86779946
   0.16343955  0.39039287  0.59918487
   0.35335097  0.37446469  0.76120681
   0.13669754  0.74655647 -0.02863273
   0.39909238  0.62927976  0.35452063
   0.12156267  0.93421876  0.14157794
   0.35951727  0.89222537  0.25829782
   0.13865826  0.63286276  0.48464684
   0.34660278  0.68839045  0.81206852
   0.08102593  0.90299868  0.57743027
   0.35693899  0.94402599  0.67755011
   0.62032943  0.13818941  0.96743898
   0.83181429  0.18564117  0.32337611
   0.60176517  0.41384006  0.07730794
   0.90252995  0.39625128  0.18958836
   0.63054509  0.20815603  0.48786681
   0.89874353  0.13827946  0.86852029
   0.61803812  0.44404775  0.65024143
   0.82747422  0.41674748  0.79511233
   0.57836305  0.68272262 -0.03785207
   0.89125488  0.60229525  0.36444070
   0.59100363  0.91161662  0.11261931
   0.84122546  0.86952729  0.24355537
   0.64663113  0.64465359  0.48924944
   0.87703754  0.68031639  0.88368668
   0.65045596  0.88808299  0.61437493
   0.89146282  0.90562284  0.75187571
   0.12112487  0.09614747  0.11645469
   0.38818340  0.20649406  0.27587542
   0.18622736  0.32025208 -0.00485469
   0.40026261  0.47621028  0.31938355
   0.54936930  0.35042999  0.17926096
   0.29105508  0.41036380  0.14731146
   0.20360278  0.13022370  0.42221549
  -0.04683534  0.23507930  0.39660925
  -0.00264051  0.03180857  0.51506259
   0.38366486  0.28612242  0.86581701
   0.04930174  0.28173597  0.56352544
   0.33876207  0.52572590  0.81001476
   0.49504318  0.35845826  0.69893883
   0.20630893  0.34107816  0.71706001
   0.21778820  0.08473201 -0.06956515
  -0.02980247  0.18358545  0.97054697
   0.18475189  0.58988954  0.00584039
   0.36706365  0.71805584  0.25455656
   0.18429929  0.84457278  0.05633883
   0.38802375  0.95560169  0.36495545
   0.44312257  0.95491396  0.16453736
   0.20201517  0.92005918  0.24344502
   0.29923776  0.66194362  0.45004767
   0.05601574  0.57481850  0.39078021
   0.29272470  0.36985945  0.53160577
   0.35955420  0.77613491  0.71061959
   0.07137567  0.78030533  0.50673107
   0.32568032  1.07307915  0.75684503
   0.49790901  0.97425234  0.62621989
   0.23165126  0.96344798  0.60212118
   0.22682165  0.77184628 -0.12769400
  -0.02373481  0.74215856  0.95758966
   0.63423374  0.06225606  0.07117561
   0.85096848  0.23721480  0.20884028
   0.58540717  0.29271099 -0.00057876
   0.83593018  0.51281611  0.27214574
   0.01710817  0.45546090  0.12188529
   0.77408435  0.44082909  0.09793966
   0.70511876  0.23068060  0.38497832
   0.47467784  0.15777856  0.46659812
   0.70424590  0.06198972  0.53848604
   0.91389962  0.27278263  0.79172594
   0.64608831  0.32851319  0.55950497
   0.93034511  0.53665755  0.83700377
   1.10944275  0.54982090  0.59038161
   0.78737431  0.44297711  0.68348867
   0.74714950  0.11689463  0.89203568
   0.48280654  0.05668687  0.92702164
   0.52181461  0.54999435  0.03579349
   0.87181351  0.75427569  0.32546093
   0.55273134  0.82200288  0.01971255
   0.82877405  1.01982571  0.30095770
   0.96919394  0.89430532  0.16006701
   0.70392447  0.82969601  0.17852763
   0.79394372  0.57006285  0.45696548
   0.55347817  0.66124240  0.38950540
   0.54868986  0.56629485  0.56643111
   0.81361236  0.79219307  0.81663559
   0.69698609  0.80533894  0.51361409
   0.96883023  1.01028920  0.82028462
   1.01384852  0.84293298  0.68194161
   0.76474814  0.96057595  0.68307763
   0.74266784  0.64193783  0.94923153
   0.49708377  0.70685923  0.86389173
   0.61899127  0.75772304  0.66867247
   0.80871033  1.05650587  0.52957281
   1.04208262  0.36607954  0.25567917
   1.17408318  1.30498939  0.29646217
   0.19893020  0.36462273  0.32990617
   0.47321445  0.16965907  0.05664509
   0.34109492  1.32562292 -0.07762018
  -0.19376734  1.53079153  0.06767506
   0.73752115  0.40230025  0.88053084
   0.58957956  0.56600179  0.71431196
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796804    0.346877    0.042341
    -0.000000    9.802642    0.067933
    -0.000000    0.000000   13.771706
   Si   O    H 
    32    64    10
Direct configuration=  3847
   0.12825586  0.16279935  0.01231963
   0.36081764  0.12638210  0.38582290
   0.16803126  0.44567106  0.06988579
   0.40100909  0.35722035  0.23214012
   0.05872546  0.17306711  0.47674567
   0.35383222  0.10055610  0.86763663
   0.16405706  0.38895210  0.59741920
   0.35261835  0.37580338  0.76072584
   0.13795262  0.74591531 -0.02821097
   0.39979809  0.63036897  0.35496843
   0.12161272  0.93265479  0.14176981
   0.35955565  0.89171707  0.25933410
   0.13932745  0.63317518  0.48601357
   0.34697366  0.68850104  0.81244288
   0.08041227  0.90338794  0.57697079
   0.35686720  0.94558215  0.67752671
   0.62001074  0.13739807  0.96724309
   0.83247314  0.18511994  0.32390024
   0.60262809  0.41525680  0.07758521
   0.90376964  0.39633327  0.18883311
   0.63009843  0.20738457  0.48860906
   0.89896159  0.13886128  0.86825056
   0.61802232  0.44518623  0.65006073
   0.82752417  0.41662323  0.79417553
   0.57725808  0.68348226 -0.03774454
   0.88963209  0.60240118  0.36414003
   0.59109058  0.91103606  0.11286724
   0.84022214  0.87034359  0.24228019
   0.64746624  0.64427408  0.48957902
   0.87653525  0.67995332  0.88376450
   0.64944776  0.88853623  0.61334235
   0.89101389  0.90557049  0.75151480
   0.12053970  0.09798061  0.11739271
   0.38607707  0.20677127  0.27615017
   0.18638340  0.32026254 -0.00524259
   0.40093220  0.47614190  0.31916914
   0.54847604  0.35197639  0.18030080
   0.29292493  0.41119947  0.14817661
   0.20378634  0.12969598  0.42245817
  -0.04931845  0.23398361  0.39548954
  -0.00262986  0.03141770  0.51432331
   0.38197510  0.28736367  0.86526752
   0.04965963  0.28356525  0.56359787
   0.33832685  0.52545051  0.80946768
   0.49405360  0.35636910  0.70040817
   0.20506314  0.34033383  0.71749306
   0.21826001  0.08427253 -0.06870693
  -0.03095391  0.18345860  0.97056711
   0.18494285  0.59134267  0.00632536
   0.36903948  0.71833118  0.25536474
   0.18394870  0.84578261  0.05574622
   0.38808004  0.95568159  0.36486229
   0.44439856  0.95578768  0.16339645
   0.20266532  0.91926486  0.24379489
   0.29919294  0.65968256  0.44926317
   0.05720156  0.57474195  0.38917029
   0.29398908  0.37265884  0.53106510
   0.35854053  0.77576659  0.71144291
   0.07217574  0.78131136  0.50570916
   0.32541006  1.07299979  0.75640994
   0.49762595  0.97317481  0.62688148
   0.23180766  0.96300432  0.60150545
   0.22603434  0.77316476 -0.12803155
  -0.02302145  0.74333676  0.95611723
   0.63220230  0.06130078  0.07061349
   0.85137092  0.23770666  0.20925422
   0.58470349  0.29386414 -0.00065588
   0.83668508  0.51308811  0.27088044
   0.01762497  0.45470518  0.12247796
   0.77325705  0.44081284  0.09897738
   0.70328013  0.23107866  0.38514010
   0.47574774  0.15809291  0.46681222
   0.70497287  0.06337221  0.53806357
   0.91401404  0.27131553  0.79188194
   0.64677745  0.32629524  0.55902311
   0.92847596  0.53789250  0.83753640
   1.10987040  0.54937423  0.58853431
   0.78700615  0.44341615  0.68395703
   0.74766656  0.11747100  0.89269180
   0.48385502  0.05580056  0.92623510
   0.52130722  0.54974860  0.03624305
   0.87261716  0.75496173  0.32530610
   0.55328181  0.82207554  0.02067915
   0.82874073  1.01867542  0.30190573
   0.96953181  0.89268187  0.16156169
   0.70194101  0.82959746  0.17875879
   0.79500941  0.56951325  0.45730969
   0.55428451  0.66070249  0.39024631
   0.54922324  0.56694764  0.56635090
   0.81392057  0.79210900  0.81530116
   0.69759199  0.80544687  0.51306849
   0.96872010  1.01055530  0.82125563
   1.01410758  0.84270500  0.68150770
   0.76486592  0.95958358  0.68338018
   0.74185623  0.64298900  0.94943390
   0.49640282  0.70638631  0.86307599
   0.62572024  0.75566895  0.66708978
   0.81367834  1.06088591  0.52789442
   1.04712539  0.35925492  0.25456213
   1.17061315  1.31431162  0.29910607
   0.19380359  0.35763243  0.32842048
   0.47325187  0.16945981  0.04998783
   0.33788085  1.32749872 -0.08472003
  -0.20142123  1.52563668  0.07508131
   0.73641394  0.39206212  0.88249774
   0.58753030  0.55929832  0.71790366
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796555    0.344345    0.040568
    -0.000000    9.801215    0.069757
    -0.000000    0.000000   13.772749
   Si   O    H 
    32    64    10
Direct configuration=  3848
   0.12929120  0.16356499  0.01265118
   0.36035684  0.12648922  0.38563890
   0.16818841  0.44617516  0.07027097
   0.40161082  0.35762780  0.23220670
   0.05844202  0.17393728  0.47732649
   0.35342632  0.10144936  0.86772263
   0.16486514  0.38700482  0.59598436
   0.35185807  0.37759406  0.76028723
   0.13873224  0.74491428 -0.02776271
   0.40079570  0.63091979  0.35565870
   0.12173494  0.93106741  0.14178041
   0.35892112  0.89116072  0.25982599
   0.14015438  0.63307642  0.48688696
   0.34714121  0.68840384  0.81321157
   0.08021123  0.90429986  0.57696759
   0.35661382  0.94703015  0.67732522
   0.61979052  0.13664405  0.96736387
   0.83292452  0.18357024  0.32431702
   0.60328994  0.41674446  0.07765199
   0.90482134  0.39656820  0.18829628
   0.62985383  0.20610848  0.48931382
   0.89928139  0.14008161  0.86837508
   0.61792771  0.44639300  0.65014806
   0.82805289  0.41653764  0.79362319
   0.57674861  0.68371904 -0.03772149
   0.88857137  0.60239884  0.36399108
   0.59089325  0.91072727  0.11323387
   0.83921101  0.87157764  0.24097365
   0.64791497  0.64410019  0.48931731
   0.87604357  0.67922234  0.88355400
   0.64875065  0.88926908  0.61261660
   0.89038103  0.90632215  0.75053499
   0.11962617  0.09921509  0.11890830
   0.38446637  0.20589376  0.27725675
   0.18552486  0.32048067 -0.00541268
   0.40177786  0.47490514  0.31894958
   0.54782087  0.35366561  0.18101989
   0.29338922  0.41221081  0.14912767
   0.20415973  0.12908990  0.42322685
  -0.05101541  0.23304323  0.39432682
  -0.00321983  0.03037923  0.51470444
   0.38105997  0.28642899  0.86343966
   0.04971728  0.28506180  0.56395960
   0.33776190  0.52583175  0.80945958
   0.49286425  0.35434993  0.70180438
   0.20452824  0.34023989  0.71799261
   0.21903551  0.08376947 -0.06833578
  -0.03183452  0.18352570  0.97130250
   0.18548647  0.59210830  0.00716718
   0.37052495  0.71888924  0.25633474
   0.18372261  0.84649746  0.05487770
   0.38817751  0.95628658  0.36440392
   0.44480742  0.95693531  0.16314493
   0.20293409  0.91827926  0.24431349
   0.29853306  0.65784922  0.44832547
   0.05765588  0.57527147  0.38827325
   0.29526702  0.37596913  0.53041513
   0.35690986  0.77610726  0.71258525
   0.07270152  0.78183096  0.50408957
   0.32440952  1.07275980  0.75569332
   0.49865896  0.97225579  0.62701689
   0.23176930  0.96299906  0.60052622
   0.22621761  0.77460559 -0.12841665
  -0.02220402  0.74497323  0.95526896
   0.63038583  0.06059270  0.07027196
   0.85166063  0.23873581  0.20925397
   0.58453340  0.29594795 -0.00064352
   0.83771145  0.51381800  0.26939765
   0.01872616  0.45448138  0.12237494
   0.77207496  0.43963097  0.09961775
   0.70134351  0.23263333  0.38529472
   0.47744778  0.15921139  0.46682191
   0.70609726  0.06484658  0.53671312
   0.91423363  0.26993855  0.79202185
   0.64834464  0.32511109  0.55932867
   0.92579529  0.53903439  0.83788465
   1.10925827  0.54797491  0.58652604
   0.78568911  0.44377962  0.68446632
   0.74714356  0.11801857  0.89334357
   0.48545325  0.05509876  0.92554270
   0.52048792  0.54930630  0.03678559
   0.87234678  0.75594560  0.32515026
   0.55424376  0.82204422  0.02132776
   0.82855439  1.01762302  0.30298833
   0.96854191  0.89089088  0.16274308
   0.70136043  0.82981329  0.17943048
   0.79681777  0.56886378  0.45736227
   0.55413046  0.66035189  0.39090207
   0.55000942  0.56774260  0.56616640
   0.81481719  0.79202110  0.81403852
   0.69807958  0.80446409  0.51240973
   0.96866711  1.01036411  0.82182236
   1.01475547  0.84233323  0.68174410
   0.76571113  0.95908544  0.68420819
   0.74162279  0.64375811  0.94900779
   0.49522240  0.70557966  0.86188048
   0.63271141  0.75509977  0.66438601
   0.80465691  1.06609684  0.52931105
   1.04590166  0.35658246  0.25397544
   1.16041180  1.31210609  0.29193205
   0.19249835  0.36756602  0.33698584
   0.47120618  0.16754582  0.04657582
   0.32413927  1.33679748 -0.07618391
  -0.20505318  1.53357748  0.08048622
   0.73495957  0.38390560  0.88006509
   0.58317391  0.55536610  0.72373506
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796536    0.341365    0.038673
    -0.000000    9.799865    0.071347
    -0.000000    0.000000   13.773984
   Si   O    H 
    32    64    10
Direct configuration=  3849
   0.12944026  0.16445567  0.01262792
   0.36049610  0.12640050  0.38557299
   0.16801106  0.44661434  0.07098845
   0.40183220  0.35821838  0.23235173
   0.05850953  0.17516779  0.47760773
   0.35326588  0.10269619  0.86790977
   0.16609817  0.38537916  0.59449604
   0.35125504  0.37898604  0.75987941
   0.14007953  0.74432730 -0.02714846
   0.40212720  0.63156374  0.35657818
   0.12244848  0.92983717  0.14228233
   0.35773291  0.89006761  0.26034656
   0.14097909  0.63240716  0.48727817
   0.34744503  0.68819658  0.81360362
   0.07996225  0.90554499  0.57685295
   0.35648526  0.94801106  0.67722797
   0.61909787  0.13543930  0.96764617
   0.83301045  0.18193903  0.32493167
   0.60331964  0.41777026  0.07800881
   0.90576728  0.39683808  0.18840903
   0.62993856  0.20492141  0.49012546
   0.89966049  0.14195648  0.86841946
   0.61729945  0.44784882  0.64968253
   0.82884792  0.41618109  0.79337597
   0.57650726  0.68366162 -0.03771510
   0.88793782  0.60239890  0.36395528
   0.59004286  0.91058811  0.11350680
   0.83828696  0.87209715  0.23988139
   0.64789436  0.64466165  0.48913370
   0.87542244  0.67809948  0.88313624
   0.64778169  0.88979622  0.61215216
   0.88873518  0.90646498  0.74929719
   0.11938127  0.10066365  0.12034683
   0.38294558  0.20510580  0.27854619
   0.18483901  0.32045769 -0.00526243
   0.40320505  0.47404289  0.31843955
   0.54753565  0.35542877  0.18148467
   0.29281758  0.41379011  0.15002426
   0.20470259  0.12814571  0.42400869
  -0.05172122  0.23258697  0.39347759
  -0.00390185  0.02987893  0.51475785
   0.37947841  0.28594874  0.86246657
   0.04938517  0.28642514  0.56452241
   0.33742316  0.52684164  0.80938236
   0.49171341  0.35228234  0.70279748
   0.20410733  0.34101658  0.71794605
   0.21973393  0.08333410 -0.06756234
  -0.03298307  0.18301622  0.97155741
   0.18617540  0.59199922  0.00831706
   0.37142955  0.71927425  0.25756000
   0.18348311  0.84765941  0.05387125
   0.38885710  0.95750832  0.36352252
   0.44514447  0.95721876  0.16322278
   0.20219697  0.91779209  0.24455337
   0.29816079  0.65600239  0.44708214
   0.05797509  0.57527061  0.38783743
   0.29693532  0.37926503  0.53041835
   0.35602048  0.77750235  0.71354102
   0.07266925  0.78167627  0.50275876
   0.32375670  1.07185382  0.75528840
   0.49985084  0.97117347  0.62676238
   0.23202549  0.96305569  0.59990197
   0.22590285  0.77575100 -0.12851213
  -0.02080087  0.74666705  0.95433836
   0.62941157  0.06072740  0.07012548
   0.85165791  0.24003740  0.20954692
   0.58486839  0.29674325 -0.00135272
   0.83925434  0.51414326  0.26766327
   0.02009284  0.45453537  0.12203342
   0.77014134  0.43869076  0.09994074
   0.69885766  0.23473990  0.38516032
   0.47859258  0.16036345  0.46655717
   0.70678662  0.06621250  0.53581683
   0.91499143  0.26910222  0.79235892
   0.65041650  0.32422988  0.56019723
   0.92330722  0.53968708  0.83839448
   1.10877528  0.54711351  0.58464552
   0.78459692  0.44428966  0.68462039
   0.74628430  0.11820935  0.89415255
   0.48732225  0.05329041  0.92509146
   0.51969998  0.54984911  0.03817425
   0.87152286  0.75706270  0.32485104
   0.55443592  0.82215089  0.02246648
   0.82893780  1.01554002  0.30451044
   0.96670739  0.88916798  0.16439168
   0.70032773  0.82979477  0.17963928
   0.79775783  0.56698513  0.45765402
   0.55435490  0.65990429  0.39116886
   0.55133325  0.56782527  0.56617891
   0.81530996  0.79200835  0.81299322
   0.69787271  0.80384449  0.51127493
   0.96811270  1.01025937  0.82240153
   1.01594969  0.84245592  0.68199145
   0.76742576  0.95868590  0.68505554
   0.74040296  0.64499151  0.94897761
   0.49478622  0.70421080  0.86175279
   0.63957848  0.75913164  0.66247419
   0.80029985  1.07329845  0.52903640
   1.04428630  0.35170708  0.25474733
   1.15057450  1.31638713  0.28998271
   0.18915110  0.37321293  0.34059083
   0.46341201  0.16620522  0.04525197
   0.31571485  1.33759317 -0.07526958
  -0.20984008  1.54203604  0.08391204
   0.73274210  0.37734241  0.87478232
   0.58086773  0.55591668  0.73220818
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.796676    0.339468    0.036681
    -0.000000    9.798855    0.072683
    -0.000000    0.000000   13.774775
   Si   O    H 
    32    64    10
Direct configuration=  3850
   0.12972483  0.16546241  0.01242260
   0.36117595  0.12584131  0.38537991
   0.16726756  0.44714293  0.07183043
   0.40179673  0.35920946  0.23171774
   0.05846311  0.17635737  0.47733384
   0.35286371  0.10373530  0.86863827
   0.16761600  0.38449466  0.59334529
   0.35096113  0.38076021  0.75898033
   0.14150105  0.74369477 -0.02673006
   0.40372192  0.63242130  0.35751776
   0.12274863  0.92909105  0.14289727
   0.35639604  0.88916159  0.26060692
   0.14168061  0.63099948  0.48764485
   0.34761825  0.68840881  0.81389476
   0.07905277  0.90649836  0.57691492
   0.35637301  0.94879782  0.67718572
   0.61890938  0.13433609  0.96755576
   0.83257479  0.18023023  0.32528430
   0.60325228  0.41867183  0.07826527
   0.90701912  0.39810579  0.18858068
   0.63028340  0.20349563  0.49068759
   0.90007209  0.14428561  0.86880151
   0.61623176  0.44961216  0.64941694
   0.83006516  0.41598033  0.79346295
   0.57634755  0.68370853 -0.03757124
   0.88733305  0.60217767  0.36374077
   0.58847280  0.91011537  0.11362610
   0.83758988  0.87283110  0.23928349
   0.64820935  0.64508382  0.48907913
   0.87489655  0.67704132  0.88272172
   0.64724057  0.89006223  0.61181272
   0.88800014  0.90657313  0.74828052
   0.11954320  0.10284913  0.12180480
   0.38201604  0.20428548  0.27978261
   0.18510293  0.32098327 -0.00497149
   0.40554992  0.47309448  0.31737093
   0.54770757  0.35774994  0.18181212
   0.29291575  0.41418590  0.15035527
   0.20490521  0.12790947  0.42502281
  -0.05218632  0.23180427  0.39313520
  -0.00357561  0.02920182  0.51494378
   0.37746128  0.28541717  0.86202889
   0.04884268  0.28717820  0.56527763
   0.33635236  0.52751467  0.80885336
   0.48955842  0.35006486  0.70329614
   0.20343559  0.34116296  0.71730601
   0.22081086  0.08326334 -0.06667904
  -0.03403527  0.18259752  0.97154848
   0.18666351  0.59075239  0.00981865
   0.37295007  0.71981122  0.25890126
   0.18340853  0.84895385  0.05296586
   0.38908923  0.95861052  0.36239357
   0.44460924  0.95626933  0.16349744
   0.20043118  0.91740164  0.24471166
   0.29791552  0.65371238  0.44665788
   0.05812664  0.57458116  0.38772196
   0.29718338  0.38205214  0.52981661
   0.35525568  0.77916314  0.71440250
   0.07269020  0.78228494  0.50139199
   0.32326164  1.07026597  0.75478077
   0.50162780  0.96989823  0.62639219
   0.23113975  0.96321281  0.59974375
   0.22545531  0.77669815 -0.12818356
  -0.01975567  0.74817704  0.95330180
   0.62874913  0.06058521  0.07033926
   0.85237704  0.24102717  0.21102239
   0.58508926  0.29706683 -0.00237512
   0.84094838  0.51408683  0.26648885
   0.02170615  0.45470966  0.12085582
   0.76820376  0.43827632  0.10004071
   0.69576210  0.23622508  0.38521027
   0.47930551  0.16149741  0.46599157
   0.70705786  0.06673243  0.53460192
   0.91618202  0.26783962  0.79248328
   0.65281917  0.32373791  0.56148184
   0.92146164  0.53986320  0.83828108
   1.10795638  0.54627578  0.58283081
   0.78439513  0.44550787  0.68445939
   0.74453775  0.11730089  0.89526911
   0.48885416  0.05141005  0.92468880
   0.51931402  0.55078559  0.03890717
   0.87064672  0.75810271  0.32432442
   0.55431986  0.82147322  0.02323183
   0.82896616  1.01403593  0.30600998
   0.96518925  0.88714847  0.16653037
   0.69940856  0.82970579  0.17985306
   0.79770438  0.56565652  0.45844677
   0.55443501  0.66054218  0.39154149
   0.55278679  0.56856630  0.56597548
   0.81544109  0.79250865  0.81149182
   0.69763818  0.80329149  0.51084784
   0.96784662  1.01054281  0.82357183
   1.01703112  0.84276641  0.68199511
   0.76843494  0.95894589  0.68589829
   0.73880948  0.64563108  0.94922224
   0.49507356  0.70183050  0.86178171
   0.64570062  0.75833408  0.66453308
   0.81059860  1.07643649  0.52893172
   1.04300790  0.35043846  0.25661051
   1.15071840  1.32563866  0.29162531
   0.17531489  0.37219425  0.33714678
   0.45457532  0.16554497  0.04518361
   0.31206658  1.33256919 -0.07732122
  -0.21247653  1.54334053  0.08718998
   0.72848586  0.37385450  0.86783222
   0.57878767  0.55227401  0.73706302
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797015    0.336946    0.034980
    -0.000000    9.797934    0.073814
    -0.000000    0.000000   13.775565
   Si   O    H 
    32    64    10
Direct configuration=  3851
   0.12974143  0.16680943  0.01198983
   0.36177869  0.12551199  0.38494819
   0.16706150  0.44773979  0.07290305
   0.40137245  0.35946114  0.23128243
   0.05838240  0.17667127  0.47701841
   0.35265181  0.10507110  0.86967616
   0.16948356  0.38345841  0.59265279
   0.35083323  0.38203409  0.75828085
   0.14324400  0.74291890 -0.02665681
   0.40515438  0.63284522  0.35900613
   0.12320604  0.92903626  0.14368979
   0.35575849  0.88866933  0.26075047
   0.14178135  0.62904267  0.48773736
   0.34821389  0.68871163  0.81420104
   0.07855824  0.90777189  0.57736935
   0.35562837  0.94907842  0.67717709
   0.61885138  0.13323160  0.96758837
   0.83204288  0.17837531  0.32533242
   0.60322607  0.41932665  0.07857080
   0.90823019  0.39867711  0.18939547
   0.63051909  0.20215199  0.49122273
   0.90009494  0.14699875  0.86938064
   0.61486261  0.45107529  0.64956261
   0.83085753  0.41580182  0.79312279
   0.57653013  0.68398501 -0.03751893
   0.88652038  0.60201066  0.36339369
   0.58715130  0.90958654  0.11354637
   0.83695743  0.87353970  0.23867390
   0.64795282  0.64602197  0.48866217
   0.87504065  0.67662304  0.88280385
   0.64737318  0.88990877  0.61101307
   0.88821828  0.90585289  0.74817074
   0.11889148  0.10429165  0.12289611
   0.38194402  0.20308689  0.28072940
   0.18487542  0.32131961 -0.00387219
   0.40750932  0.47273377  0.31697898
   0.54891108  0.35991682  0.18196932
   0.29294961  0.41469894  0.15085006
   0.20451474  0.12786104  0.42646218
  -0.05185473  0.23091779  0.39352396
  -0.00373730  0.02864440  0.51563367
   0.37538877  0.28482380  0.86203177
   0.04753358  0.28819792  0.56593975
   0.33439045  0.52765363  0.80891845
   0.48664340  0.34854920  0.70342074
   0.20327369  0.34132907  0.71672878
   0.22209010  0.08202217 -0.06537346
  -0.03455161  0.18157997  0.97130928
   0.18700613  0.59049558  0.01116517
   0.37432156  0.71950914  0.26011493
   0.18239554  0.84970989  0.05227005
   0.38924104  0.95945612  0.36126046
   0.44411251  0.95499612  0.16439461
   0.19819620  0.91763595  0.24464900
   0.29766234  0.65109445  0.44621559
   0.05800546  0.57334639  0.38770659
   0.29769101  0.38354009  0.52903699
   0.35434088  0.78101178  0.71511691
   0.07203223  0.78360656  0.50005673
   0.32264007  1.06891601  0.75463401
   0.50284975  0.96885466  0.62607868
   0.23056684  0.96297521  0.59980322
   0.22500021  0.77763954 -0.12824784
  -0.01892173  0.75017593  0.95269390
   0.62814663  0.06019221  0.07101705
   0.85312559  0.24247518  0.21277422
   0.58531508  0.29728365 -0.00321097
   0.84317005  0.51282912  0.26512134
   0.02310066  0.45434009  0.11950005
   0.76708789  0.43871367  0.09943353
   0.69294453  0.23821647  0.38510041
   0.47969476  0.16353410  0.46532353
   0.70691632  0.06714755  0.53437914
   0.91775988  0.26616577  0.79217737
   0.65561554  0.32333958  0.56307761
   0.91927490  0.53947311  0.83767133
   1.10759826  0.54576596  0.58135032
   0.78503431  0.44690229  0.68414533
   0.74240801  0.11685129  0.89665454
   0.49001841  0.04993290  0.92376215
   0.51870299  0.55197519  0.03929129
   0.86898139  0.75902396  0.32398089
   0.55464906  0.82019229  0.02365758
   0.82875090  1.01277146  0.30693426
   0.96361090  0.88512647  0.16834831
   0.69892749  0.82977344  0.17973887
   0.79749136  0.56460265  0.45935208
   0.55371354  0.66112060  0.39257095
   0.55435964  0.56841927  0.56594549
   0.81527302  0.79281681  0.80975992
   0.69669463  0.80260863  0.51009364
   0.96815213  1.00944593  0.82396540
   1.01819949  0.84394990  0.68166490
   0.76857841  0.96030895  0.68672672
   0.73664747  0.64590369  0.94983509
   0.49567290  0.70050899  0.86247718
   0.65105056  0.75466076  0.66921600
   0.81402322  1.07371103  0.52977909
   1.03506192  0.35204052  0.25611153
   1.16401116  1.33225710  0.29619956
   0.16215458  0.37247401  0.33267754
   0.44152602  0.16415206  0.04618038
   0.31258260  1.32426642 -0.08106596
  -0.21487536  1.53809750  0.08920499
   0.72344345  0.37467763  0.86315223
   0.58107348  0.54871197  0.73849450
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797613    0.334375    0.033032
    -0.000000    9.797125    0.074882
    -0.000000    0.000000   13.775527
   Si   O    H 
    32    64    10
Direct configuration=  3852
   0.12972197  0.16848731  0.01179821
   0.36277343  0.12491476  0.38459607
   0.16704061  0.44825679  0.07415940
   0.40145340  0.36033509  0.23074400
   0.05855431  0.17704410  0.47696921
   0.35246961  0.10674707  0.87068089
   0.17181153  0.38260614  0.59238908
   0.35048713  0.38379681  0.75766051
   0.14485768  0.74191117 -0.02705126
   0.40590370  0.63301175  0.36034525
   0.12354788  0.92932260  0.14452782
   0.35555088  0.88794707  0.26060784
   0.14249541  0.62712466  0.48776907
   0.34901635  0.68913239  0.81404672
   0.07807068  0.90817335  0.57776346
   0.35498799  0.94885569  0.67720900
   0.61833871  0.13262595  0.96791834
   0.83157301  0.17685026  0.32509032
   0.60283819  0.41914300  0.07884541
   0.90900967  0.39892653  0.19082331
   0.63071544  0.20121638  0.49197938
   0.89946811  0.14936422  0.86986892
   0.61377152  0.45226881  0.64976342
   0.83101880  0.41559100  0.79285130
   0.57689250  0.68376977 -0.03736983
   0.88629415  0.60203882  0.36280026
   0.58624207  0.90967984  0.11371699
   0.83672592  0.87468166  0.23831026
   0.64766093  0.64685441  0.48890235
   0.87469050  0.67686334  0.88297503
   0.64771583  0.88957626  0.61005293
   0.88872509  0.90542602  0.74819721
   0.11837846  0.10545695  0.12370994
   0.38162639  0.20241643  0.28124407
   0.18470407  0.32193254 -0.00246556
   0.40964592  0.47201269  0.31698896
   0.55036778  0.36217703  0.18220906
   0.29353185  0.41486108  0.15108029
   0.20370159  0.12804945  0.42782521
  -0.05126411  0.23088646  0.39396409
  -0.00474929  0.02934214  0.51651568
   0.37323707  0.28428197  0.86192135
   0.04533673  0.28864316  0.56634455
   0.33229687  0.52821615  0.80921660
   0.48387524  0.34688277  0.70328066
   0.20337358  0.34175959  0.71549852
   0.22274993  0.08138346 -0.06377152
  -0.03397781  0.18027965  0.97133567
   0.18817116  0.58956807  0.01285675
   0.37561671  0.72001765  0.26089443
   0.18141331  0.85123829  0.05156819
   0.38970709  0.96037873  0.36056598
   0.44276582  0.95387430  0.16570141
   0.19639334  0.91830515  0.24527039
   0.29744394  0.64906472  0.44566005
   0.05720919  0.57173070  0.38841679
   0.29865721  0.38445374  0.52781630
   0.35343730  0.78260047  0.71584620
   0.07161671  0.78507618  0.49950329
   0.32172546  1.06803586  0.75496174
   0.50336219  0.96803506  0.62633844
   0.23065623  0.96239226  0.60039821
   0.22457038  0.77817649 -0.12772351
  -0.01825689  0.75253314  0.95202997
   0.62782994  0.06020033  0.07202528
   0.85302875  0.24356898  0.21449689
   0.58557720  0.29764534 -0.00393305
   0.84527888  0.51141666  0.26428017
   0.02408493  0.45428407  0.11826974
   0.76627260  0.43990557  0.09837448
   0.69107968  0.23920373  0.38440989
   0.47950413  0.16561366  0.46403874
   0.70845658  0.06700311  0.53454421
   0.91970173  0.26560126  0.79218986
   0.65731979  0.32376294  0.56488742
   0.91730332  0.53807379  0.83702042
   1.10674196  0.54472914  0.58092758
   0.78575547  0.44761758  0.68341789
   0.73984647  0.11628877  0.89752286
   0.49117391  0.04852511  0.92251494
   0.51859249  0.55322156  0.03926421
   0.86672377  0.76003106  0.32419839
   0.55443719  0.81923218  0.02355749
   0.82830397  1.01126888  0.30766040
   0.96260979  0.88335437  0.16988093
   0.69856467  0.83025554  0.17960339
   0.79718381  0.56398791  0.46025098
   0.55379703  0.66186449  0.39357240
   0.55580853  0.56750406  0.56626973
   0.81516407  0.79272294  0.80832179
   0.69500124  0.80262474  0.50937719
   0.96766421  1.00825910  0.82445964
   1.01926078  0.84574927  0.68106706
   0.76725022  0.96191909  0.68692596
   0.73452252  0.64546356  0.95089114
   0.49650278  0.69868159  0.86353667
   0.65643868  0.75385093  0.67381535
   0.80774830  1.07207196  0.53237337
   1.02953265  0.35663572  0.25484189
   1.18145373  1.32216103  0.28731443
   0.15320833  0.38509320  0.33643795
   0.42772791  0.16612776  0.05321317
   0.31516539  1.30965913 -0.08587824
  -0.22009199  1.53289475  0.09214749
   0.71605763  0.38042318  0.86012849
   0.58521305  0.54654820  0.73642394
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798221    0.332171    0.031327
    -0.000000    9.796721    0.076365
    -0.000000    0.000000   13.775617
   Si   O    H 
    32    64    10
Direct configuration=  3853
   0.12860361  0.16977559  0.01214940
   0.36355149  0.12480278  0.38436888
   0.16735233  0.44848019  0.07490219
   0.40189552  0.36122359  0.23057266
   0.05867707  0.17752266  0.47659477
   0.35274129  0.10838096  0.87131271
   0.17387816  0.38205920  0.59267875
   0.34998565  0.38548273  0.75722667
   0.14701124  0.74118520 -0.02740390
   0.40642660  0.63282778  0.36131484
   0.12338195  0.92993509  0.14497913
   0.35588982  0.88758556  0.25972112
   0.14330194  0.62514747  0.48728682
   0.34966413  0.68943658  0.81395615
   0.07783922  0.90784370  0.57809252
   0.35462919  0.94796840  0.67715835
   0.61727389  0.13230252  0.96854580
   0.83024829  0.17523087  0.32463513
   0.60208134  0.41824387  0.07880687
   0.90973571  0.39897370  0.19215908
   0.63160407  0.20101888  0.49265679
   0.89808789  0.15133575  0.87024190
   0.61311055  0.45289771  0.64969379
   0.83136957  0.41576487  0.79209125
   0.57702939  0.68332052 -0.03674614
   0.88651532  0.60278802  0.36201145
   0.58548124  0.90986812  0.11417100
   0.83659081  0.87540656  0.23797534
   0.64757889  0.64729230  0.48894600
   0.87420489  0.67798014  0.88341871
   0.64840226  0.88943878  0.60950168
   0.88964480  0.90445654  0.74803951
   0.11796235  0.10609779  0.12424778
   0.38130781  0.20260393  0.28157350
   0.18438523  0.32182943 -0.00140226
   0.41058222  0.47107860  0.31691837
   0.55254882  0.36475104  0.18208881
   0.29350851  0.41564105  0.15103387
   0.20282922  0.12821454  0.42898088
  -0.04975272  0.22962183  0.39456859
  -0.00589286  0.03008512  0.51783912
   0.37135316  0.28354812  0.86204902
   0.04242032  0.28868824  0.56609001
   0.32996925  0.52930418  0.80974597
   0.48158927  0.34498533  0.70356235
   0.20373921  0.34136918  0.71373842
   0.22437173  0.08028297 -0.06225166
  -0.03242562  0.17858914  0.97153231
   0.18901624  0.58885655  0.01423024
   0.37683069  0.72124462  0.26170907
   0.18042755  0.85283301  0.05087357
   0.39060613  0.96103989  0.36009597
   0.44123452  0.95208140  0.16692717
   0.19476051  0.91793866  0.24618662
   0.29646634  0.64833127  0.44515482
   0.05626939  0.56970051  0.38888974
   0.29937066  0.38499989  0.52706544
   0.35269639  0.78371506  0.71682125
   0.07180904  0.78590905  0.49860466
   0.32171661  1.06676645  0.75552914
   0.50362540  0.96745363  0.62735103
   0.23142134  0.96167952  0.60127698
   0.22427707  0.77869354 -0.12635245
  -0.01758801  0.75393320  0.95079553
   0.62829024  0.06103070  0.07320642
   0.85243232  0.24464435  0.21645169
   0.58595180  0.29838909 -0.00479965
   0.84703042  0.51047351  0.26399868
   0.02470060  0.45474166  0.11691005
   0.76570550  0.44015585  0.09779282
   0.69018635  0.23943139  0.38377656
   0.47833861  0.16789086  0.46286398
   0.70999535  0.06598647  0.53473973
   0.92158398  0.26564528  0.79239645
   0.65918060  0.32377134  0.56653016
   0.91693465  0.53622549  0.83644447
   1.10561353  0.54341769  0.58133143
   0.78643918  0.44685029  0.68278298
   0.73834953  0.11551205  0.89813441
   0.49238568  0.04791159  0.92106677
   0.51960906  0.55419075  0.03946833
   0.86442798  0.76077107  0.32451347
   0.55467222  0.81808755  0.02317353
   0.82741964  1.01000157  0.30843024
   0.96204269  0.88212438  0.17078890
   0.69864258  0.83084294  0.17943945
   0.79665002  0.56438241  0.46093794
   0.55467223  0.66255699  0.39502636
   0.55717509  0.56764850  0.56641009
   0.81451765  0.79144355  0.80729696
   0.69404758  0.80295166  0.50906681
   0.96658265  1.00659390  0.82468106
   1.02021377  0.84720079  0.68018509
   0.76540817  0.96376305  0.68699247
   0.73288286  0.64563649  0.95158345
   0.49743944  0.69663564  0.86418311
   0.65925652  0.75544105  0.67781951
   0.80442747  1.06832298  0.53378170
   1.03638067  0.35998395  0.25579703
   1.18356029  1.33022046  0.29013384
   0.15284255  0.38372233  0.32650549
   0.41539910  0.17276087  0.06261728
   0.31109340  1.30214879 -0.08483504
  -0.22506358  1.54211650  0.09160561
   0.71197925  0.38892244  0.85448558
   0.58996608  0.54358924  0.73217017
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798347    0.330313    0.029693
    -0.000000    9.795885    0.077367
    -0.000000    0.000000   13.775679
   Si   O    H 
    32    64    10
Direct configuration=  3854
   0.12775253  0.17084597  0.01249504
   0.36408646  0.12475150  0.38438340
   0.16877711  0.44920768  0.07538635
   0.40257970  0.36185244  0.23096053
   0.05912671  0.17808393  0.47567181
   0.35252754  0.10973408  0.87168685
   0.17555172  0.38199672  0.59311630
   0.34922737  0.38731410  0.75671127
   0.14855226  0.73986931 -0.02775676
   0.40646268  0.63136417  0.36199202
   0.12225233  0.93153167  0.14561198
   0.35645442  0.88703517  0.25857385
   0.14388199  0.62353805  0.48697608
   0.35047578  0.68909279  0.81398401
   0.07748927  0.90790496  0.57806652
   0.35475185  0.94671535  0.67683038
   0.61582910  0.13231139  0.96966037
   0.82921069  0.17329252  0.32431861
   0.60090395  0.41774944  0.07805535
   0.91029186  0.39926674  0.19337164
   0.63201991  0.20155464  0.49346464
   0.89687758  0.15354258  0.87042966
   0.61265689  0.45272570  0.64994671
   0.83164290  0.41542643  0.79137688
   0.57702968  0.68264627 -0.03625282
   0.88712731  0.60341825  0.36111995
   0.58467577  0.91018268  0.11512640
   0.83661451  0.87558730  0.23817881
   0.64755152  0.64790466  0.48882365
   0.87335721  0.67988495  0.88421226
   0.64984296  0.88850062  0.60901438
   0.89052476  0.90453226  0.74763684
   0.11699357  0.10639932  0.12398769
   0.38061496  0.20266768  0.28126292
   0.18394013  0.32169524 -0.00079057
   0.41058949  0.47042208  0.31730326
   0.55453483  0.36718170  0.18195253
   0.29229494  0.41661762  0.15067875
   0.20281375  0.12690719  0.43034969
  -0.04867466  0.22865980  0.39520241
  -0.00672147  0.03069543  0.51982451
   0.36992382  0.28231462  0.86158624
   0.04017495  0.28974736  0.56572085
   0.32705204  0.53094193  0.81083828
   0.48019890  0.34302934  0.70273220
   0.20470826  0.34132701  0.71230216
   0.22555526  0.07983302 -0.06116769
  -0.03059161  0.17661404  0.97135988
   0.18963478  0.58836548  0.01556216
   0.37773239  0.72284450  0.26346896
   0.17988029  0.85472993  0.05052375
   0.39207116  0.96176854  0.35979666
   0.43934784  0.95059596  0.16857125
   0.19218662  0.91753348  0.24683936
   0.29489900  0.64750732  0.44468093
   0.05485994  0.56775009  0.38969772
   0.29990024  0.38570955  0.52606126
   0.35193047  0.78566633  0.71788677
   0.07142714  0.78584473  0.49790885
   0.32238803  1.06568033  0.75646450
   0.50339461  0.96716139  0.62814874
   0.23299257  0.96062083  0.60175865
   0.22461457  0.77904704 -0.12509317
  -0.01739977  0.75554713  0.94953055
   0.62904827  0.06140047  0.07446306
   0.85210866  0.24529265  0.21796147
   0.58592049  0.29930333 -0.00631044
   0.84756886  0.50994750  0.26469353
   0.02432534  0.45534662  0.11639287
   0.76482373  0.44090116  0.09778686
   0.69030982  0.23928863  0.38293418
   0.47693031  0.16974007  0.46197428
   0.71024047  0.06524245  0.53489705
   0.92292261  0.26629629  0.79240774
   0.66068896  0.32414619  0.56809118
   0.91702149  0.53490997  0.83625636
   1.10459675  0.54216995  0.58198345
   0.78677827  0.44649038  0.68264313
   0.73710185  0.11581163  0.89854240
   0.49336980  0.04608015  0.91998163
   0.52092732  0.55475323  0.03910651
   0.86196673  0.76122053  0.32425415
   0.55522648  0.81728113  0.02309317
   0.82651934  1.00907510  0.30851646
   0.96206165  0.88186140  0.17166169
   0.69862286  0.83197401  0.17998758
   0.79608052  0.56540763  0.46182967
   0.55578946  0.66380739  0.39673161
   0.55912777  0.56805508  0.56703772
   0.81379803  0.78944101  0.80662897
   0.69276003  0.80398983  0.50957595
   0.96576508  1.00575296  0.82539507
   1.02048297  0.84858125  0.67985829
   0.76412765  0.96553728  0.68623880
   0.73093728  0.64581021  0.95216287
   0.49758126  0.69489877  0.86516673
   0.65964299  0.76143141  0.68060275
   0.81019023  1.06369536  0.53465681
   1.04757345  0.36136967  0.25784357
   1.17737342  1.34135132  0.29247970
   0.15366395  0.38178461  0.31497927
   0.40678765  0.17941643  0.06813422
   0.30205691  1.30106134 -0.07761967
  -0.23129083  1.54748707  0.09190016
   0.71088366  0.39961328  0.85111967
   0.59363670  0.54191936  0.72900982
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798735    0.328418    0.028122
    -0.000000    9.794786    0.077949
    -0.000000    0.000000   13.775640
   Si   O    H 
    32    64    10
Direct configuration=  3855
   0.12652413  0.17181491  0.01281151
   0.36434377  0.12394953  0.38465992
   0.17046199  0.44942713  0.07595816
   0.40280079  0.36282696  0.23132004
   0.05941597  0.17844694  0.47503378
   0.35328555  0.11129964  0.87148822
   0.17756194  0.38152626  0.59345358
   0.34845437  0.38863354  0.75670319
   0.15001622  0.73880492 -0.02803421
   0.40651790  0.62928026  0.36243020
   0.12006640  0.93333585  0.14615209
   0.35632739  0.88680536  0.25773817
   0.14395912  0.62190497  0.48661498
   0.35128200  0.68950767  0.81386337
   0.07674725  0.90809867  0.57805883
   0.35529958  0.94575911  0.67679882
   0.61454278  0.13232626  0.97052512
   0.82819833  0.17140250  0.32395021
   0.59950289  0.41671415  0.07695276
   0.91142419  0.39942242  0.19463989
   0.63237713  0.20298171  0.49378239
   0.89550745  0.15508968  0.87057469
   0.61251418  0.45214472  0.65028320
   0.83254393  0.41428514  0.79093215
   0.57662252  0.68121559 -0.03532501
   0.88797616  0.60334636  0.36061439
   0.58400476  0.91101756  0.11587032
   0.83662148  0.87579432  0.23890484
   0.64815789  0.64836031  0.48902495
   0.87264180  0.68206844  0.88506038
   0.65053469  0.88760910  0.60871991
   0.89107896  0.90478299  0.74690450
   0.11664577  0.10646562  0.12310037
   0.38038109  0.20417494  0.28076851
   0.18418776  0.32197926 -0.00037007
   0.41141982  0.46971666  0.31755014
   0.55555652  0.36862478  0.18225975
   0.29098885  0.41711729  0.15004788
   0.20244056  0.12618666  0.43108105
  -0.04788233  0.22795775  0.39507454
  -0.00759479  0.03137512  0.52123588
   0.36820843  0.28153516  0.86158249
   0.03933785  0.29060090  0.56476488
   0.32368999  0.53196623  0.81206246
   0.47999132  0.34163573  0.70212873
   0.20646335  0.34136358  0.71078700
   0.22627178  0.07921637 -0.06023393
  -0.02849294  0.17485388  0.97120887
   0.19086420  0.58750806  0.01692578
   0.37876032  0.72411167  0.26501892
   0.17978725  0.85610181  0.05020690
   0.39283244  0.96276191  0.35892906
   0.43759753  0.94939528  0.17022725
   0.19054220  0.91759055  0.24744289
   0.29372334  0.64604611  0.44393131
   0.05365601  0.56586131  0.39077687
   0.29953315  0.38602673  0.52515784
   0.35102561  0.78782918  0.71887919
   0.07175243  0.78473222  0.49710676
   0.32318959  1.06432708  0.75726720
   0.50275630  0.96746051  0.62817501
   0.23342688  0.95892764  0.60178969
   0.22517574  0.77869147 -0.12381391
  -0.01709448  0.75682248  0.94840869
   0.62947806  0.06224008  0.07504554
   0.85184079  0.24612825  0.21905648
   0.58619472  0.29924323 -0.00765108
   0.84788463  0.51066571  0.26590461
   0.02377639  0.45570504  0.11565584
   0.76420101  0.44336979  0.09752441
   0.69094823  0.23927409  0.38221956
   0.47492879  0.17162946  0.46086132
   0.71012211  0.06417153  0.53461223
   0.92376132  0.26680161  0.79265982
   0.66164129  0.32333693  0.56954461
   0.91736149  0.53429403  0.83627158
   1.10377034  0.53981163  0.58287406
   0.78740618  0.44749928  0.68274935
   0.73711110  0.11611990  0.89904473
   0.49363344  0.04373270  0.91870787
   0.52259185  0.55580600  0.03870286
   0.85954226  0.76037602  0.32422351
   0.55591252  0.81633445  0.02396233
   0.82634125  1.00791216  0.30869771
   0.96319935  0.88179092  0.17246628
   0.69972159  0.83255958  0.18090487
   0.79545318  0.56704548  0.46208750
   0.55592161  0.66475801  0.39790836
   0.56065995  0.56797018  0.56714346
   0.81285684  0.78774120  0.80544579
   0.69228912  0.80553011  0.51038866
   0.96555929  1.00545934  0.82623145
   1.02040708  0.84895702  0.67936370
   0.76288734  0.96683427  0.68498597
   0.73016199  0.64657986  0.95259751
   0.49790261  0.69328623  0.86598662
   0.65857452  0.77022068  0.68401876
   0.81555219  1.05655035  0.53458308
   1.05102688  0.36420109  0.25411748
   1.18643807  1.32109233  0.28125462
   0.14436619  0.40799243  0.32351770
   0.40145444  0.18453029  0.07130694
   0.29668132  1.29946862 -0.07278907
  -0.23279964  1.54465239  0.09374313
   0.70730262  0.40799561  0.84980320
   0.59379649  0.54906571  0.73007228
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.799113    0.326333    0.026572
    -0.000000    9.793831    0.078803
    -0.000000    0.000000   13.775680
   Si   O    H 
    32    64    10
Direct configuration=  3856
   0.12522954  0.17224992  0.01292760
   0.36429623  0.12297241  0.38447533
   0.17197966  0.44925388  0.07638956
   0.40322315  0.36300787  0.23182302
   0.05914838  0.17899268  0.47499081
   0.35399967  0.11235146  0.87092801
   0.17938885  0.38174956  0.59348998
   0.34732378  0.38950686  0.75692409
   0.15084077  0.73803662 -0.02831145
   0.40668968  0.62760364  0.36236723
   0.11712439  0.93461923  0.14668423
   0.35606248  0.88600364  0.25731076
   0.14393172  0.62027817  0.48646644
   0.35206306  0.69002930  0.81334023
   0.07708083  0.90832856  0.57801702
   0.35569630  0.94504657  0.67651888
   0.61353428  0.13304604  0.97126782
   0.82707983  0.16986668  0.32371404
   0.59809823  0.41544766  0.07638737
   0.91330905  0.39876193  0.19565976
   0.63214870  0.20438430  0.49429178
   0.89465540  0.15603300  0.87068465
   0.61220809  0.45161538  0.65046129
   0.83300340  0.41282146  0.79021530
   0.57570736  0.67970615 -0.03446399
   0.88907555  0.60285213  0.36006728
   0.58379235  0.91144188  0.11649512
   0.83632846  0.87606350  0.23989996
   0.64885135  0.64897271  0.48948475
   0.87155219  0.68410510  0.88597137
   0.65156523  0.88721135  0.60921421
   0.89132171  0.90487656  0.74649100
   0.11661515  0.10647512  0.12215583
   0.38020520  0.20663682  0.28038371
   0.18479587  0.32271814  0.00004025
   0.41217553  0.46932888  0.31780334
   0.55634287  0.37048524  0.18278352
   0.29043930  0.41658036  0.15010299
   0.20173650  0.12670955  0.43202523
  -0.04719858  0.22783493  0.39487306
  -0.00778525  0.03256827  0.52208179
   0.36668043  0.28073030  0.86227782
   0.03896090  0.29134648  0.56317592
   0.32053741  0.53175332  0.81330786
   0.48028009  0.34084488  0.70185012
   0.20827701  0.34135524  0.70913807
   0.22591311  0.07876537 -0.05902476
  -0.02708117  0.17386515  0.97099933
   0.19190670  0.58722313  0.01788307
   0.37985749  0.72549110  0.26671424
   0.18000289  0.85718785  0.05049672
   0.39443177  0.96341232  0.35787850
   0.43646937  0.94807931  0.17155156
   0.18910906  0.91859862  0.24825828
   0.29308214  0.64430490  0.44283624
   0.05194371  0.56450517  0.39142934
   0.29971925  0.38512822  0.52429072
   0.34948974  0.78960774  0.71986086
   0.07175485  0.78375237  0.49629237
   0.32463339  1.06350999  0.75834026
   0.50202245  0.96822512  0.62804491
   0.23383091  0.95643403  0.60144356
   0.22643079  0.77778308 -0.12311073
  -0.01570705  0.75764744  0.94761703
   0.62971869  0.06248304  0.07558480
   0.85129127  0.24738113  0.22018327
   0.58642018  0.29903203 -0.00788531
   0.84813514  0.51139096  0.26763811
   0.02314777  0.45519137  0.11457984
   0.76425321  0.44652405  0.09664891
   0.69263368  0.23919774  0.38134544
   0.47292832  0.17309520  0.46040933
   0.71062650  0.06323759  0.53390087
   0.92529409  0.26834361  0.79256548
   0.66273837  0.32208220  0.57073441
   0.91828623  0.53433499  0.83670106
   1.10335617  0.53794377  0.58395941
   0.78803046  0.44847683  0.68282517
   0.73806945  0.11685173  0.89919428
   0.49424819  0.04278860  0.91761154
   0.52416977  0.55677827  0.03833992
   0.85611346  0.76021979  0.32375655
   0.55601572  0.81590032  0.02490786
   0.82573673  1.00727656  0.30884616
   0.96526930  0.88201295  0.17335754
   0.70102633  0.83303618  0.18179211
   0.79539134  0.56890300  0.46220048
   0.55573043  0.66588609  0.39846821
   0.56316951  0.56860000  0.56782830
   0.81190518  0.78514426  0.80439477
   0.69184755  0.80703363  0.51101813
   0.96486683  1.00462725  0.82699446
   1.02006844  0.84892767  0.67929141
   0.76216261  0.96843867  0.68372870
   0.73115458  0.64736038  0.95263593
   0.49844023  0.69228422  0.86726719
   0.66072325  0.77348890  0.68504309
   0.81558283  1.05165257  0.53616628
   1.05878728  0.36744631  0.25420699
   1.17872394  1.32089734  0.27791565
   0.14603994  0.41045442  0.32284121
   0.39706248  0.18909615  0.07279534
   0.29658185  1.30128903 -0.07230359
  -0.22864783  1.54205762  0.09434979
   0.70502974  0.41395695  0.84875955
   0.59091372  0.55802703  0.72988263
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.799223    0.324719    0.025355
    -0.000000    9.793360    0.079561
    -0.000000    0.000000   13.775692
   Si   O    H 
    32    64    10
Direct configuration=  3857
   0.12389565  0.17226460  0.01323590
   0.36432177  0.12192670  0.38494210
   0.17337099  0.44917168  0.07666983
   0.40361036  0.36327543  0.23229900
   0.05845061  0.17958321  0.47523631
   0.35479131  0.11344031  0.87002331
   0.18086578  0.38188253  0.59308217
   0.34664852  0.39036304  0.75708566
   0.15062027  0.73760684 -0.02874122
   0.40642798  0.62532833  0.36160624
   0.11461589  0.93612814  0.14689564
   0.35621328  0.88476203  0.25760262
   0.14355824  0.61890381  0.48663780
   0.35256687  0.69090349  0.81291415
   0.07704999  0.90843698  0.57795906
   0.35610466  0.94489651  0.67684527
   0.61278518  0.13448909  0.97213761
   0.82573958  0.16901284  0.32423713
   0.59697982  0.41421240  0.07570479
   0.91498047  0.39773538  0.19664410
   0.63219435  0.20601098  0.49439390
   0.89420825  0.15631244  0.87088666
   0.61163054  0.45170241  0.65035545
   0.83333514  0.41160321  0.78945899
   0.57467009  0.67789366 -0.03324833
   0.89125530  0.60179880  0.35950396
   0.58343776  0.91167740  0.11689430
   0.83581544  0.87609416  0.24092429
   0.64964686  0.64915327  0.49000358
   0.87006007  0.68553479  0.88709901
   0.65237205  0.88653904  0.60973567
   0.89129413  0.90541346  0.74575534
   0.11711754  0.10556808  0.12192173
   0.37956078  0.20919988  0.27994019
   0.18517146  0.32298972  0.00046182
   0.41217660  0.46946875  0.31847654
   0.55729877  0.37189281  0.18414027
   0.29032712  0.41518584  0.15010650
   0.20146924  0.12759507  0.43289865
  -0.04664749  0.22840604  0.39415331
  -0.00733701  0.03367449  0.52298099
   0.36434249  0.28053497  0.86333632
   0.03946718  0.29147193  0.56169882
   0.31800518  0.53277391  0.81396402
   0.48061639  0.34040478  0.70203081
   0.20921807  0.34262467  0.70732996
   0.22572822  0.07885492 -0.05759276
  -0.02600826  0.17294153  0.97109007
   0.19280437  0.58714600  0.01908323
   0.38145967  0.72606433  0.26866506
   0.18068299  0.85963490  0.05075253
   0.39565813  0.96411696  0.35688495
   0.43646222  0.94707172  0.17241470
   0.18891025  0.91955526  0.24964026
   0.29224033  0.64444888  0.44205330
   0.05009992  0.56289600  0.39252511
   0.30009938  0.38374212  0.52328737
   0.34826959  0.79034602  0.72032885
   0.07206063  0.78294634  0.49579095
   0.32596278  1.06349580  0.75931831
   0.50151983  0.96930856  0.62778953
   0.23354993  0.95366313  0.60113955
   0.22747206  0.77658627 -0.12321484
  -0.01421584  0.75799228  0.94728072
   0.62988392  0.06299921  0.07654211
   0.85085565  0.24892082  0.22123708
   0.58660113  0.29955016 -0.00825918
   0.84773259  0.51291330  0.26894133
   0.02184595  0.45485064  0.11395481
   0.76395316  0.44869924  0.09665042
   0.69389870  0.23769163  0.38020284
   0.47178795  0.17443217  0.46002078
   0.71163180  0.06296194  0.53319050
   0.92616683  0.26990425  0.79280352
   0.66317657  0.32052422  0.57213034
   0.91971287  0.53533516  0.83769468
   1.10289053  0.53510596  0.58499255
   0.78739938  0.44980053  0.68299875
   0.73956840  0.11721171  0.89883729
   0.49449914  0.04218506  0.91624308
   0.52551993  0.55755021  0.03853124
   0.85300396  0.75934945  0.32382050
   0.55557029  0.81553460  0.02597426
   0.82527554  1.00591502  0.30845998
   0.96654762  0.88279380  0.17329871
   0.70185185  0.83390241  0.18249225
   0.79547908  0.57028248  0.46213497
   0.55539112  0.66827111  0.39875433
   0.56571034  0.56929264  0.56828750
   0.81092688  0.78268986  0.80342775
   0.69131812  0.80793191  0.51109526
   0.96352664  1.00392790  0.82789207
   1.01904097  0.84900715  0.67988748
   0.76241616  0.96952571  0.68288165
   0.73372035  0.64845974  0.95282946
   0.49821912  0.69116717  0.86803460
   0.65709362  0.77245428  0.68264634
   0.80830482  1.04884016  0.53771547
   1.07126159  0.36569662  0.25649992
   1.16031123  1.34129344  0.28160010
   0.15486631  0.39323541  0.31188301
   0.39537579  0.19451581  0.07285984
   0.29817549  1.30419567 -0.07473623
  -0.22310462  1.55179767  0.09380084
   0.70575732  0.41771924  0.84928750
   0.58667613  0.56734678  0.72600835
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.799172    0.322683    0.024056
    -0.000000    9.792798    0.080413
    -0.000000    0.000000   13.775927
   Si   O    H 
    32    64    10
Direct configuration=  3858
   0.12287419  0.17205059  0.01365437
   0.36316283  0.12067477  0.38548407
   0.17478365  0.44886516  0.07698166
   0.40423245  0.36346364  0.23301379
   0.05746893  0.18061875  0.47572991
   0.35497912  0.11446826  0.86940756
   0.18052093  0.38239230  0.59277850
   0.34588599  0.39103533  0.75702737
   0.14963414  0.73782196 -0.02906664
   0.40644733  0.62332440  0.36096398
   0.11158305  0.93791523  0.14728692
   0.35594193  0.88449902  0.25838441
   0.14343860  0.61790049  0.48689154
   0.35292197  0.69201308  0.81247616
   0.07701780  0.90884918  0.57773254
   0.35694204  0.94476062  0.67729429
   0.61233550  0.13575143  0.97306306
   0.82486064  0.16880677  0.32509989
   0.59589101  0.41284475  0.07480996
   0.91606493  0.39699126  0.19754977
   0.63218931  0.20696644  0.49409543
   0.89409536  0.15514540  0.87098970
   0.61148240  0.45190669  0.65040512
   0.83300955  0.41068689  0.78908793
   0.57337907  0.67614238 -0.03228391
   0.89313159  0.60124664  0.35898930
   0.58332194  0.91164542  0.11684397
   0.83504513  0.87589855  0.24178950
   0.65051202  0.65025059  0.49026796
   0.86823851  0.68662030  0.88778629
   0.65295632  0.88630806  0.61028708
   0.89120560  0.90642592  0.74529518
   0.11776694  0.10484022  0.12201291
   0.37915577  0.21240234  0.27943572
   0.18557280  0.32332864  0.00119804
   0.41219802  0.47019842  0.31888933
   0.55814568  0.37260998  0.18563908
   0.29177324  0.41410869  0.15038785
   0.20219813  0.12903960  0.43383950
  -0.04771094  0.22876134  0.39405584
  -0.00713460  0.03456885  0.52375334
   0.36133642  0.28037989  0.86458636
   0.04090792  0.29210195  0.56036466
   0.31499991  0.53330781  0.81471745
   0.48093949  0.34029613  0.70205968
   0.21044124  0.34397209  0.70614292
   0.22530567  0.07961452 -0.05638019
  -0.02523774  0.17239686  0.97201762
   0.19394198  0.58779299  0.02024796
   0.38289815  0.72522308  0.27031109
   0.18105221  0.86116425  0.05155442
   0.39722845  0.96455437  0.35627033
   0.43643501  0.94606851  0.17245221
   0.18941152  0.92079166  0.25095275
   0.29088960  0.64505457  0.44153284
   0.04919756  0.56059328  0.39302057
   0.30150030  0.38105919  0.52246538
   0.34662473  0.79034867  0.72072004
   0.07257279  0.78191753  0.49503434
   0.32708863  1.06346965  0.76045650
   0.50039710  0.97029604  0.62709605
   0.23388089  0.95187800  0.60071783
   0.22875080  0.77565690 -0.12333598
  -0.01326620  0.75817712  0.94663668
   0.63024544  0.06265920  0.07758117
   0.85069644  0.25109528  0.22215158
   0.58730508  0.30035505 -0.00790117
   0.84732293  0.51336980  0.26995899
   0.02014316  0.45463256  0.11302266
   0.76368075  0.45129685  0.09646267
   0.69548465  0.23614328  0.37982410
   0.47200355  0.17593571  0.46022741
   0.71228907  0.06215698  0.53301137
   0.92772819  0.27175576  0.79264961
   0.66366862  0.31904684  0.57329881
   0.92158639  0.53584229  0.83875077
   1.10344137  0.53321655  0.58593412
   0.78615666  0.45084124  0.68282243
   0.74153592  0.11762316  0.89854169
   0.49486434  0.04200718  0.91515237
   0.52735219  0.55855892  0.03894157
   0.84987670  0.75737367  0.32380109
   0.55441016  0.81516871  0.02718756
   0.82581983  1.00484757  0.30888508
   0.96796915  0.88388938  0.17312542
   0.70204047  0.83458972  0.18284138
   0.79584360  0.57144932  0.46219176
   0.55407631  0.67033366  0.39818847
   0.56832355  0.56949092  0.56873950
   0.80954225  0.78077416  0.80210793
   0.69072876  0.80839485  0.51135779
   0.96130392  1.00362055  0.82871643
   1.01793810  0.84912671  0.68023503
   0.76332392  0.97070600  0.68211781
   0.73616193  0.64919042  0.95317328
   0.49918100  0.68979228  0.86805362
   0.65225876  0.76546276  0.67873919
   0.80816156  1.04803739  0.53935141
   1.06739560  0.36411517  0.25482858
   1.14839542  1.34414172  0.27759545
   0.16265044  0.39161663  0.31219128
   0.39266899  0.19925921  0.07386484
   0.30269111  1.31042019 -0.07741033
  -0.21991500  1.55636049  0.09145765
   0.70758541  0.41843346  0.85139476
   0.58100914  0.57629258  0.72337791
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798878    0.321055    0.023208
    -0.000000    9.792172    0.081498
    -0.000000    0.000000   13.776340
   Si   O    H 
    32    64    10
Direct configuration=  3859
   0.12303124  0.17146576  0.01381446
   0.36202018  0.11977983  0.38569751
   0.17536941  0.44902287  0.07718986
   0.40482086  0.36360719  0.23349253
   0.05603158  0.18169329  0.47678915
   0.35534539  0.11534375  0.86867537
   0.18029566  0.38298891  0.59281871
   0.34522253  0.39089426  0.75660318
   0.14852659  0.73833392 -0.02941058
   0.40669164  0.62232409  0.36018254
   0.10916657  0.93922868  0.14745153
   0.35528512  0.88437190  0.25942420
   0.14308969  0.61678356  0.48672935
   0.35315178  0.69217893  0.81241848
   0.07717592  0.90890841  0.57700361
   0.35805246  0.94456688  0.67769255
   0.61247464  0.13632693  0.97422351
   0.82372667  0.16875455  0.32623997
   0.59568352  0.41136466  0.07387593
   0.91652634  0.39621534  0.19831886
   0.63251285  0.20809279  0.49399261
   0.89387336  0.15413739  0.87126224
   0.61203924  0.45249389  0.65089511
   0.83251355  0.41061528  0.78890203
   0.57281911  0.67409107 -0.03157865
   0.89434784  0.60135980  0.35881588
   0.58328787  0.91169049  0.11651923
   0.83470966  0.87508797  0.24267399
   0.65197665  0.65091894  0.49068979
   0.86665439  0.68702293  0.88809258
   0.65335253  0.88628089  0.61104155
   0.89071035  0.90712700  0.74479941
   0.11777058  0.10419331  0.12182112
   0.37765391  0.21536757  0.27915351
   0.18508450  0.32322398  0.00272414
   0.41215737  0.47150154  0.31975714
   0.55903333  0.37384189  0.18712169
   0.29310457  0.41334870  0.15077422
   0.20345473  0.13100457  0.43425203
  -0.04886961  0.22899023  0.39419715
  -0.00749101  0.03556121  0.52485560
   0.35833198  0.28088442  0.86594452
   0.04183360  0.29288462  0.55952573
   0.31270312  0.53343069  0.81573260
   0.48112265  0.34022834  0.70203846
   0.21193124  0.34414146  0.70589365
   0.22563815  0.08050552 -0.05582052
  -0.02484547  0.17225715  0.97254269
   0.19484745  0.58931699  0.02048035
   0.38364932  0.72398865  0.27144463
   0.18115387  0.86181543  0.05177379
   0.39939560  0.96520614  0.35591934
   0.43670334  0.94595863  0.17211415
   0.18984319  0.92156219  0.25184911
   0.28943468  0.64528019  0.44132539
   0.04813163  0.55847207  0.39359315
   0.30250338  0.37915328  0.52143786
   0.34498857  0.78977256  0.72002451
   0.07272125  0.78010206  0.49556746
   0.32793455  1.06331003  0.76160073
   0.49987316  0.97047829  0.62668199
   0.23367782  0.94906762  0.60020453
   0.23105829  0.77422203 -0.12349816
  -0.01242579  0.75820663  0.94652992
   0.63119105  0.06159243  0.07893824
   0.85130200  0.25295208  0.22306831
   0.58810892  0.30040138 -0.00726682
   0.84799600  0.51321783  0.27097607
   0.01793415  0.45435289  0.11239397
   0.76325376  0.45384498  0.09613797
   0.69587954  0.23395128  0.38033232
   0.47215361  0.17656289  0.46052669
   0.71286054  0.06142478  0.53262444
   0.92876851  0.27282596  0.79310906
   0.66312433  0.31737866  0.57448657
   0.92329629  0.53750033  0.83996114
   1.10434015  0.53294542  0.58701683
   0.78506038  0.45220863  0.68230433
   0.74336150  0.11773203  0.89842941
   0.49581777  0.04251013  0.91416528
   0.52884072  0.55878790  0.03922717
   0.84705470  0.75511903  0.32345526
   0.55322858  0.81473096  0.02831848
   0.82665074  1.00507409  0.30977947
   0.96838815  0.88521115  0.17238243
   0.70185429  0.83449118  0.18341826
   0.79679808  0.57214424  0.46166130
   0.55272364  0.67226529  0.39730778
   0.57016855  0.57009923  0.56862118
   0.80845162  0.77969078  0.80112149
   0.68948382  0.80880172  0.51118619
   0.95902531  1.00278067  0.82958545
   1.01631962  0.84917832  0.68046917
   0.76419862  0.97096387  0.68103454
   0.73845007  0.65000365  0.95318144
   0.49969909  0.68820846  0.86741952
   0.64936576  0.76170482  0.67673606
   0.81437028  1.04830563  0.53895772
   1.04652943  0.36704891  0.25045018
   1.14572440  1.32959193  0.26959063
   0.17520456  0.40181421  0.32335279
   0.39247633  0.20274877  0.07166276
   0.30258838  1.31400056 -0.07928039
  -0.21640733  1.55418568  0.08824437
   0.70776244  0.41930182  0.85032289
   0.57383154  0.58021859  0.72393277
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798612    0.319438    0.022586
    -0.000000    9.791620    0.082320
    -0.000000    0.000000   13.776711
   Si   O    H 
    32    64    10
Direct configuration=  3860
   0.12320157  0.17001615  0.01421272
   0.36071978  0.11905029  0.38612106
   0.17582861  0.44936099  0.07747643
   0.40522169  0.36423438  0.23427147
   0.05433239  0.18222999  0.47806437
   0.35582048  0.11544535  0.86843732
   0.18062908  0.38330865  0.59283859
   0.34506179  0.39053778  0.75636849
   0.14672951  0.73876832 -0.02967754
   0.40662352  0.62153305  0.35975792
   0.10775292  0.94091662  0.14761153
   0.35501759  0.88404496  0.26070814
   0.14266284  0.61595917  0.48625827
   0.35334813  0.69217739  0.81258210
   0.07742924  0.90852152  0.57612562
   0.35910361  0.94481073  0.67810902
   0.61270674  0.13627266  0.97490023
   0.82272542  0.16835952  0.32743121
   0.59517648  0.41058800  0.07343314
   0.91709483  0.39532518  0.19919051
   0.63235741  0.20864201  0.49375744
   0.89384711  0.15299296  0.87141405
   0.61318837  0.45342675  0.65148058
   0.83166089  0.41184027  0.78903382
   0.57268101  0.67236574 -0.03158156
   0.89534562  0.60180227  0.35900207
   0.58320262  0.91084752  0.11590946
   0.83437154  0.87429344  0.24407534
   0.65352746  0.65160647  0.49123281
   0.86532854  0.68752828  0.88839423
   0.65391502  0.88688180  0.61197810
   0.89038059  0.90744043  0.74445366
   0.11727160  0.10385553  0.12235691
   0.37527088  0.21761031  0.27893782
   0.18432045  0.32331264  0.00342515
   0.41199249  0.47287199  0.32046500
   0.56013823  0.37542158  0.18805906
   0.29459658  0.41359673  0.15123642
   0.20562051  0.13313524  0.43471355
  -0.04989661  0.22862475  0.39408305
  -0.00676895  0.03588056  0.52525432
   0.35521721  0.28127343  0.86660339
   0.04364946  0.29387573  0.55863659
   0.31057174  0.53321100  0.81662770
   0.48129001  0.34066704  0.70252771
   0.21333935  0.34474649  0.70583349
   0.22619766  0.08140266 -0.05554336
  -0.02477085  0.17248550  0.97275014
   0.19605183  0.59118321  0.02054571
   0.38500797  0.72288750  0.27202522
   0.18054476  0.86244209  0.05202496
   0.40095638  0.96504373  0.35582408
   0.43705805  0.94549500  0.17106713
   0.19024818  0.92178905  0.25274596
   0.28838047  0.64568641  0.44135776
   0.04727292  0.55644030  0.39428839
   0.30368123  0.37716576  0.52084588
   0.34355323  0.78914169  0.71849212
   0.07286347  0.77751008  0.49597937
   0.32809952  1.06350197  0.76251732
   0.50066040  0.97056709  0.62593729
   0.23327311  0.94739141  0.59967944
   0.23336040  0.77321646 -0.12351416
  -0.01104390  0.75855174  0.94635582
   0.63200858  0.06029818  0.08010214
   0.85139345  0.25444771  0.22402251
   0.58811655  0.30055533 -0.00728901
   0.84859485  0.51222670  0.27166057
   0.01578041  0.45398824  0.11183425
   0.76348473  0.45646533  0.09558501
   0.69636959  0.23242817  0.38083825
   0.47199050  0.17715119  0.46078819
   0.71323347  0.06037896  0.53220911
   0.92844277  0.27484947  0.79383889
   0.66214710  0.31648163  0.57578615
   0.92450839  0.53935048  0.84157670
   1.10557885  0.53322626  0.58798271
   0.78396929  0.45338223  0.68170326
   0.74481358  0.11850806  0.89856100
   0.49631193  0.04394640  0.91322821
   0.53084923  0.55862136  0.04010441
   0.84516556  0.75312342  0.32353323
   0.55202786  0.81407736  0.02963708
   0.82766414  1.00598304  0.31076484
   0.96806399  0.88618583  0.17205117
   0.70154149  0.83468878  0.18436224
   0.79791605  0.57291594  0.46062818
   0.55127059  0.67412864  0.39595170
   0.57180113  0.57058979  0.56857510
   0.80729179  0.77864780  0.79987362
   0.68776020  0.80890212  0.51120749
   0.95633498  1.00154760  0.83076699
   1.01478921  0.84960643  0.68006709
   0.76483829  0.97171816  0.68063316
   0.73981632  0.65099691  0.95323250
   0.50012752  0.68666495  0.86697447
   0.64797533  0.75965451  0.67373318
   0.81731387  1.04865466  0.53688815
   1.03109017  0.36670731  0.24846862
   1.14356939  1.32502608  0.27088480
   0.18499585  0.40074435  0.33417097
   0.39510827  0.20618652  0.06925433
   0.29659747  1.32012997 -0.07575760
  -0.21139026  1.54993047  0.08565286
   0.71101442  0.42001055  0.84993902
   0.56593720  0.57622938  0.72504420
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798007    0.318090    0.021944
    -0.000000    9.791407    0.083109
    -0.000000    0.000000   13.777479
   Si   O    H 
    32    64    10
Direct configuration=  3861
   0.12347109  0.16863900  0.01439550
   0.35997298  0.11902053  0.38707488
   0.17619990  0.44954137  0.07802926
   0.40603834  0.36446440  0.23566350
   0.05288949  0.18235955  0.47912142
   0.35661271  0.11527279  0.86807849
   0.18067278  0.38385019  0.59314230
   0.34576452  0.39059969  0.75597382
   0.14548381  0.73883842 -0.02976718
   0.40653742  0.62111155  0.35957188
   0.10677782  0.94238769  0.14753653
   0.35408040  0.88419987  0.26218954
   0.14158913  0.61597380  0.48559454
   0.35414039  0.69183550  0.81271959
   0.07725831  0.90730934  0.57576903
   0.35980311  0.94548386  0.67834442
   0.61244778  0.13590988  0.97537081
   0.82283560  0.16793102  0.32901942
   0.59476530  0.41078669  0.07327140
   0.91760008  0.39514508  0.20016330
   0.63195949  0.20901992  0.49300177
   0.89401215  0.15187831  0.87191285
   0.61506871  0.45407101  0.65182297
   0.83100096  0.41306622  0.78921050
   0.57325710  0.67130793 -0.03151286
   0.89627982  0.60230953  0.35954730
   0.58321336  0.90997434  0.11546436
   0.83381527  0.87349013  0.24476847
   0.65436695  0.65192836  0.49118510
   0.86440449  0.68759941  0.88828954
   0.65425789  0.88777401  0.61325744
   0.88938647  0.90784385  0.74434574
   0.11617128  0.10397337  0.12271972
   0.37299346  0.21906319  0.27947898
   0.18378719  0.32314055  0.00357804
   0.41193790  0.47277336  0.32116516
   0.56096692  0.37674601  0.18862482
   0.29607259  0.41439395  0.15149778
   0.20754315  0.13574184  0.43492718
  -0.05175458  0.22803885  0.39396984
  -0.00588820  0.03580288  0.52540581
   0.35225926  0.28176021  0.86749793
   0.04539306  0.29558250  0.55751771
   0.30789748  0.53200478  0.81720722
   0.48096809  0.34123119  0.70365301
   0.21432736  0.34528302  0.70619271
   0.22681688  0.08130380 -0.05559454
  -0.02501974  0.17296904  0.97225957
   0.19747274  0.59318011  0.02027761
   0.38587419  0.72111046  0.27239536
   0.17953136  0.86277724  0.05234377
   0.40291062  0.96404254  0.35564331
   0.43744012  0.94426954  0.17040723
   0.19094010  0.92194475  0.25306889
   0.28817885  0.64635537  0.44103093
   0.04672943  0.55392805  0.39539780
   0.30452354  0.37505979  0.52088781
   0.34293310  0.78846433  0.71782133
   0.07321316  0.77512333  0.49653199
   0.32960260  1.06303349  0.76302013
   0.50274103  0.97024226  0.62456476
   0.23313992  0.94525188  0.59941906
   0.23610658  0.77232466 -0.12351029
  -0.00916646  0.75827053  0.94597774
   0.63329653  0.05922676  0.08120655
   0.85115981  0.25532837  0.22501505
   0.58720521  0.30040584 -0.00740486
   0.84924508  0.51098149  0.27197571
   0.01392083  0.45357730  0.11062999
   0.76379734  0.45754559  0.09497940
   0.69555070  0.23121334  0.38118867
   0.47264565  0.17676046  0.46084765
   0.71427857  0.06010414  0.53116021
   0.92756119  0.27612778  0.79450371
   0.66013567  0.31620680  0.57668547
   0.92506539  0.54078252  0.84367938
   1.10599571  0.53385918  0.58849370
   0.78355524  0.45459529  0.68087158
   0.74472539  0.11924072  0.89894588
   0.49605425  0.04576910  0.91269442
   0.53222282  0.55812539  0.04121382
   0.84415951  0.75150693  0.32331658
   0.55081627  0.81314188  0.03083615
   0.82833012  1.00708855  0.31135542
   0.96699815  0.88731423  0.17206517
   0.70146606  0.83598534  0.18482582
   0.79916394  0.57409214  0.45911324
   0.55072993  0.67627450  0.39476126
   0.57256734  0.57158152  0.56840331
   0.80597115  0.77818505  0.79836214
   0.68572342  0.80940878  0.51109556
   0.95378199  1.00094287  0.83158567
   1.01423621  0.85108296  0.67964083
   0.76477601  0.97276642  0.68044444
   0.74032591  0.65202390  0.95307973
   0.50011480  0.68510000  0.86596957
   0.64752793  0.76141807  0.67299562
   0.81380408  1.05026430  0.53508560
   1.03526223  0.35845784  0.25209581
   1.13618826  1.33235892  0.27820183
   0.19267703  0.39264590  0.34028386
   0.40050009  0.20727357  0.06643064
   0.29319236  1.32666212 -0.07385814
  -0.20604291  1.54830695  0.08082816
   0.71334840  0.41447182  0.85400430
   0.56280309  0.56388848  0.72378276
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797567    0.317550    0.021139
    -0.000000    9.791375    0.083802
    -0.000000    0.000000   13.778571
   Si   O    H 
    32    64    10
Direct configuration=  3862
   0.12398375  0.16719991  0.01397387
   0.35959063  0.12017062  0.38774031
   0.17614611  0.44994911  0.07845806
   0.40707985  0.36425365  0.23662525
   0.05235431  0.18163052  0.48019429
   0.35735272  0.11483426  0.86806442
   0.18053036  0.38484508  0.59377910
   0.34637142  0.39102956  0.75605476
   0.14441227  0.73873562 -0.02944156
   0.40696852  0.62063941  0.35991519
   0.10626342  0.94370467  0.14752291
   0.35240886  0.88492287  0.26342070
   0.14021159  0.61629357  0.48490820
   0.35382388  0.69111275  0.81288451
   0.07745836  0.90625615  0.57522946
   0.36064194  0.94604272  0.67856280
   0.61242889  0.13494243  0.97530660
   0.82335654  0.16726159  0.33075813
   0.59452930  0.41083009  0.07348360
   0.91816422  0.39559539  0.20111014
   0.63166072  0.20917188  0.49233872
   0.89457070  0.15080933  0.87175777
   0.61651218  0.45529143  0.65215585
   0.83015692  0.41486593  0.78908685
   0.57370253  0.67081280 -0.03164196
   0.89726613  0.60218499  0.36049343
   0.58383349  0.90878397  0.11524814
   0.83337181  0.87238457  0.24545458
   0.65539199  0.65166219  0.49058803
   0.86386660  0.68710253  0.88783786
   0.65450564  0.88881408  0.61504295
   0.88912043  0.90797164  0.74484234
   0.11506502  0.10464777  0.12261876
   0.37087117  0.21968364  0.28031753
   0.18251707  0.32296970  0.00340994
   0.41258833  0.47210924  0.32182811
   0.56212450  0.37698566  0.18883568
   0.29746692  0.41468161  0.15169673
   0.20934962  0.13813538  0.43506668
  -0.05257614  0.22780425  0.39342084
  -0.00509765  0.03495035  0.52511941
   0.34917056  0.28264789  0.86803039
   0.04731569  0.29664484  0.55742557
   0.30598487  0.53025261  0.81783524
   0.48076787  0.34217539  0.70562982
   0.21504516  0.34653503  0.70679246
   0.22752250  0.08170843 -0.05591349
  -0.02660102  0.17351619  0.97186752
   0.19946709  0.59506961  0.02002933
   0.38675509  0.72015090  0.27170874
   0.17781152  0.86245041  0.05184313
   0.40482430  0.96338888  0.35522537
   0.43767096  0.94288667  0.16995856
   0.19158470  0.92180315  0.25318157
   0.28891053  0.64655900  0.44028908
   0.04699142  0.55195791  0.39689872
   0.30521079  0.37312457  0.52071216
   0.34206398  0.78880499  0.71708650
   0.07349791  0.77281350  0.49727137
   0.33062806  1.06265250  0.76313741
   0.50524414  0.96951839  0.62292211
   0.23269248  0.94392542  0.59966034
   0.23956369  0.77159432 -0.12386581
  -0.00877767  0.75822168  0.94580305
   0.63463216  0.05899178  0.08201237
   0.85021553  0.25645656  0.22647696
   0.58607583  0.29950596 -0.00802573
   0.84993225  0.50976915  0.27241397
   0.01239957  0.45381848  0.10940198
   0.76433660  0.45746144  0.09423426
   0.69374592  0.23020461  0.38172673
   0.47310190  0.17653959  0.46127136
   0.71457485  0.06138965  0.52959704
   0.92615327  0.27788173  0.79489502
   0.65826317  0.31717896  0.57746899
   0.92475748  0.54209127  0.84593436
   1.10621977  0.53610090  0.58926691
   0.78323296  0.45657231  0.68052515
   0.74308320  0.12077930  0.89954738
   0.49645177  0.04803265  0.91220849
   0.53266663  0.55768280  0.04194662
   0.84272275  0.75017154  0.32296998
   0.54968362  0.81118007  0.03178848
   0.82957914  1.00830234  0.31246483
   0.96533761  0.88771769  0.17227022
   0.70073247  0.83732392  0.18562824
   0.80071935  0.57474681  0.45746819
   0.54961354  0.67790796  0.39350813
   0.57342820  0.57227037  0.56852347
   0.80429431  0.77787444  0.79706433
   0.68353276  0.81021126  0.51070405
   0.95170290  1.00074088  0.83247146
   1.01388505  0.85290669  0.67920165
   0.76479133  0.97366412  0.68071698
   0.73988239  0.65309965  0.95335197
   0.50056811  0.68317403  0.86585342
   0.64781494  0.76481504  0.67484335
   0.81573506  1.05193251  0.53098982
   1.04466346  0.34541223  0.25918166
   1.12284866  1.34544625  0.28990402
   0.19649436  0.38254356  0.34450399
   0.40463296  0.20498793  0.06407404
   0.29540289  1.32706580 -0.07459723
  -0.20315781  1.54855507  0.07553179
   0.71085942  0.40841725  0.86034931
   0.56613094  0.54770949  0.72517447
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797598    0.316746    0.020420
    -0.000000    9.791519    0.084799
    -0.000000    0.000000   13.780095
   Si   O    H 
    32    64    10
Direct configuration=  3863
   0.12460288  0.16638795  0.01389180
   0.35922296  0.12179217  0.38817083
   0.17563000  0.45078645  0.07839261
   0.40761648  0.36412563  0.23768972
   0.05243795  0.18040865  0.48087846
   0.35769513  0.11417762  0.86817862
   0.18061695  0.38593042  0.59404432
   0.34725889  0.39146137  0.75620080
   0.14345059  0.73889788 -0.02883221
   0.40805321  0.61998871  0.36022421
   0.10669441  0.94447064  0.14746751
   0.35053235  0.88468240  0.26446882
   0.13919447  0.61650345  0.48449314
   0.35346936  0.69124488  0.81321034
   0.07779214  0.90533389  0.57432099
   0.36177797  0.94705108  0.67849993
   0.61215661  0.13412987  0.97498430
   0.82409453  0.16725087  0.33224263
   0.59506360  0.41052286  0.07334151
   0.91898781  0.39623856  0.20225783
   0.63158406  0.20943908  0.49198941
   0.89559386  0.14926547  0.87154736
   0.61769394  0.45640788  0.65189514
   0.82963134  0.41671712  0.78895187
   0.57499058  0.67108878 -0.03178997
   0.89792799  0.60191442  0.36156177
   0.58448039  0.90859352  0.11516343
   0.83311802  0.87070341  0.24601516
   0.65638182  0.65173584  0.48952198
   0.86348879  0.68666541  0.88738118
   0.65507646  0.88992964  0.61653278
   0.88869251  0.90842318  0.74546049
   0.11374145  0.10641631  0.12222505
   0.36937344  0.22011574  0.28079657
   0.18207997  0.32244773  0.00325602
   0.41395277  0.47084541  0.32197609
   0.56355568  0.37662820  0.18881470
   0.29919608  0.41523400  0.15213786
   0.21037413  0.14015685  0.43520240
  -0.05310125  0.22790799  0.39353289
  -0.00481665  0.03446022  0.52461576
   0.34792435  0.28363547  0.86859529
   0.04968313  0.29702491  0.55777690
   0.30435701  0.52795040  0.81832519
   0.48081638  0.34238763  0.70813093
   0.21377952  0.34768546  0.70720313
   0.22795423  0.08245780 -0.05697456
  -0.02840841  0.17426031  0.97188403
   0.20130685  0.59690771  0.01975388
   0.38708145  0.71932935  0.27083414
   0.17629693  0.86284406  0.05148681
   0.40702902  0.96343452  0.35535695
   0.43731416  0.94166478  0.16936696
   0.19232082  0.92201448  0.25272416
   0.28912610  0.64689615  0.44003071
   0.04789577  0.55096720  0.39811312
   0.30532920  0.37113154  0.52043355
   0.34085098  0.78857854  0.71645780
   0.07393137  0.77061544  0.49743068
   0.33147551  1.06227059  0.76304143
   0.50675223  0.96957314  0.62175319
   0.23303970  0.94372982  0.59949705
   0.24291361  0.77153637 -0.12462613
  -0.00928512  0.75889754  0.94521779
   0.63599615  0.05930028  0.08234277
   0.84953991  0.25638723  0.22750309
   0.58569381  0.29876968 -0.00938272
   0.85131282  0.50860943  0.27284516
   0.01115497  0.45354215  0.10893826
   0.76461488  0.45784812  0.09353485
   0.69151071  0.22960350  0.38169401
   0.47350822  0.17597814  0.46139471
   0.71463315  0.06268773  0.52792824
   0.92521269  0.27943863  0.79451052
   0.65634690  0.31882340  0.57816103
   0.92472944  0.54272154  0.84814275
   1.10693300  0.53905990  0.58997363
   0.78311282  0.45864314  0.68039760
   0.74152276  0.12212710  0.90084253
   0.49764290  0.04973918  0.91139410
   0.53285379  0.55612942  0.04249946
   0.84157178  0.74880979  0.32291039
   0.54883762  0.80839490  0.03208500
   0.83078220  1.00905547  0.31329104
   0.96342061  0.88785678  0.17270277
   0.69973967  0.83885517  0.18610578
   0.80209404  0.57497485  0.45581576
   0.54872334  0.67890650  0.39332996
   0.57382847  0.57341705  0.56873205
   0.80267840  0.77711711  0.79616103
   0.68176669  0.81162039  0.51027286
   0.94933254  1.00051017  0.83314281
   1.01359007  0.85480153  0.67908046
   0.76477842  0.97521878  0.68069151
   0.73946548  0.65419887  0.95356673
   0.50165437  0.68236320  0.86599428
   0.65240839  0.76373966  0.67706324
   0.81467743  1.05418381  0.52750867
   1.04149670  0.33448045  0.25893797
   1.11602151  1.35883388  0.30780708
   0.20035132  0.37514114  0.34765524
   0.41172453  0.19933616  0.06208026
   0.30078323  1.32525363 -0.07557841
  -0.20143582  1.54453100  0.07030812
   0.71242382  0.40308299  0.86360278
   0.56775219  0.53525015  0.73201654
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.797888    0.315642    0.019329
    -0.000000    9.791724    0.085816
    -0.000000    0.000000   13.781501
   Si   O    H 
    32    64    10
Direct configuration=  3864
   0.12452479  0.16548088  0.01402853
   0.35918132  0.12340367  0.38851782
   0.17485426  0.45113786  0.07834899
   0.40839517  0.36389122  0.23839687
   0.05275662  0.17881677  0.48110029
   0.35804154  0.11389075  0.86838737
   0.18103377  0.38717296  0.59431726
   0.34808997  0.39141220  0.75622342
   0.14334419  0.73939168 -0.02805141
   0.40886228  0.61925078  0.36029404
   0.10710282  0.94474381  0.14774683
   0.34925210  0.88422534  0.26522825
   0.13821098  0.61714207  0.48415680
   0.35239021  0.69106970  0.81299419
   0.07812811  0.90394760  0.57377758
   0.36291339  0.94793076  0.67847053
   0.61254636  0.13368353  0.97424115
   0.82489446  0.16707480  0.33330495
   0.59521281  0.41046073  0.07338553
   0.91953663  0.39660562  0.20341510
   0.63133031  0.20955557  0.49122991
   0.89669038  0.14774125  0.87130776
   0.61872958  0.45777122  0.65173347
   0.82897041  0.41845600  0.78872122
   0.57586241  0.67195026 -0.03202472
   0.89828989  0.60146077  0.36299652
   0.58552849  0.90900452  0.11492658
   0.83292543  0.86866144  0.24671702
   0.65731746  0.65183186  0.48797446
   0.86379808  0.68565375  0.88697145
   0.65565440  0.89077196  0.61769539
   0.88792401  0.90902585  0.74600628
   0.11235502  0.10812747  0.12139306
   0.36821378  0.21966959  0.28196574
   0.18182568  0.32248597  0.00332665
   0.41581283  0.46829743  0.32226045
   0.56514325  0.37587216  0.18839504
   0.30073589  0.41518846  0.15259888
   0.21011978  0.14183090  0.43490022
  -0.05226966  0.22780732  0.39385480
  -0.00478388  0.03397979  0.52487494
   0.34723923  0.28446622  0.86896277
   0.05096956  0.29778606  0.55804055
   0.30324603  0.52589808  0.81863959
   0.48129551  0.34199106  0.70995727
   0.21257241  0.35040386  0.70734054
   0.22870453  0.08380731 -0.05917463
  -0.02917578  0.17488004  0.97199358
   0.20316263  0.59946473  0.01944565
   0.38696436  0.71892102  0.26923944
   0.17526145  0.86371927  0.05138914
   0.40869053  0.96385470  0.35676005
   0.43661486  0.94097572  0.16881743
   0.19275635  0.92215423  0.25180978
   0.28940668  0.64649056  0.44029302
   0.04864417  0.55015935  0.39908463
   0.30563522  0.36987775  0.52075431
   0.33917731  0.78847280  0.71613817
   0.07437283  0.76938524  0.49720003
   0.33245417  1.06205227  0.76278309
   0.50793222  0.96884727  0.62057871
   0.23314410  0.94384550  0.59936577
   0.24611524  0.77058658 -0.12417664
  -0.01083018  0.75894026  0.94426886
   0.63803688  0.05944868  0.08189139
   0.84785223  0.25632305  0.22858325
   0.58529794  0.29823818 -0.01073684
   0.85196650  0.50802553  0.27305733
   0.00978983  0.45372267  0.10830244
   0.76536453  0.45699836  0.09270918
   0.68970145  0.22976616  0.38214647
   0.47454788  0.17535325  0.46130064
   0.71410951  0.06483076  0.52638165
   0.92451689  0.28032624  0.79481220
   0.65464703  0.32078779  0.57872113
   0.92422262  0.54351074  0.85009948
   1.10780876  0.54200610  0.59096017
   0.78350433  0.46060517  0.68052588
   0.74023916  0.12332220  0.90248104
   0.49923890  0.05133078  0.91117729
   0.53377660  0.55419024  0.04256493
   0.84091187  0.74697819  0.32287212
   0.54855575  0.80440420  0.03181569
   0.83189996  1.00826103  0.31372945
   0.96162565  0.88757959  0.17283972
   0.69884485  0.84039711  0.18655438
   0.80315847  0.57513204  0.45425429
   0.54878919  0.67994599  0.39328281
   0.57398713  0.57454056  0.56912300
   0.80157301  0.77746222  0.79520948
   0.68036336  0.81367547  0.51010217
   0.94731147  1.00018788  0.83392642
   1.01391377  0.85623528  0.67909515
   0.76458145  0.97696341  0.68076604
   0.73949538  0.65495655  0.95397596
   0.50192153  0.68238788  0.86633834
   0.65438105  0.76652553  0.67919842
   0.81292709  1.05594217  0.52320912
   1.03301313  0.32813510  0.25552247
   1.11282472  1.37346869  0.32758894
   0.20197041  0.36611756  0.34870113
   0.42241146  0.19247794  0.06076483
   0.30491207  1.32635809 -0.07365459
  -0.20184063  1.54232011  0.06297820
   0.71594702  0.39772785  0.86572992
   0.56926298  0.52949920  0.74467260
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.798468    0.313586    0.018727
    -0.000000    9.791801    0.086347
    -0.000000    0.000000   13.783242
   Si   O    H 
    32    64    10
Direct configuration=  3865
   0.12409213  0.16430544  0.01366232
   0.35967591  0.12481213  0.38893359
   0.17448434  0.45120838  0.07789449
   0.40911478  0.36368001  0.23840855
   0.05316399  0.17763794  0.48094156
   0.35816899  0.11348249  0.86884508
   0.18153627  0.38821225  0.59439676
   0.34913871  0.39169151  0.75692303
   0.14405678  0.74081568 -0.02732347
   0.40947379  0.61872178  0.36066034
   0.10755049  0.94440850  0.14818112
   0.34888077  0.88419875  0.26558733
   0.13719255  0.61751552  0.48412718
   0.35140228  0.69075854  0.81250888
   0.07852867  0.90154832  0.57336309
   0.36326536  0.94840710  0.67802708
   0.61323977  0.13340634  0.97328469
   0.82553360  0.16715445  0.33396623
   0.59591973  0.41078205  0.07343758
   0.92053647  0.39753251  0.20395414
   0.63027186  0.21003415  0.49065454
   0.89727066  0.14646166  0.87083031
   0.61901550  0.45921438  0.65182637
   0.82875140  0.42025164  0.78844140
   0.57615407  0.67296881 -0.03167014
   0.89867180  0.60110415  0.36385730
   0.58626685  0.90907858  0.11479675
   0.83257120  0.86708122  0.24723930
   0.65794682  0.65245898  0.48631866
   0.86411036  0.68460925  0.88655247
   0.65619146  0.89106374  0.61906499
   0.88702911  0.90914911  0.74667708
   0.11103467  0.10994537  0.12114925
   0.36695055  0.21890497  0.28371604
   0.18104957  0.32225743  0.00396301
   0.41838558  0.46525511  0.32285268
   0.56638912  0.37523607  0.18755778
   0.30189112  0.41512393  0.15293873
   0.20913679  0.14252857  0.43447911
  -0.05100408  0.22783832  0.39465478
  -0.00399275  0.03371810  0.52513585
   0.34741009  0.28553644  0.86894399
   0.05221546  0.29882320  0.55862443
   0.30231582  0.52525160  0.81863369
   0.48206284  0.34177932  0.71124172
   0.21089703  0.35278575  0.70741290
   0.22904455  0.08507265 -0.06209877
  -0.02947052  0.17468686  0.97184939
   0.20468453  0.60200517  0.01894722
   0.38683337  0.71877592  0.26745813
   0.17509345  0.86447570  0.05155525
   0.40986277  0.96358602  0.35826573
   0.43588842  0.93989091  0.16861680
   0.19300615  0.92230725  0.25049516
   0.28934893  0.64656019  0.44077860
   0.04988957  0.54915532  0.40006121
   0.30630152  0.36876634  0.52147031
   0.33776842  0.78847889  0.71563305
   0.07457656  0.76884196  0.49709776
   0.33321482  1.06091564  0.76215472
   0.50840921  0.96895709  0.61936922
   0.23371284  0.94494771  0.59932800
   0.24771590  0.77033444 -0.12267206
  -0.01371851  0.75919985  0.94363751
   0.63971838  0.06002846  0.08130650
   0.84574246  0.25528916  0.22892885
   0.58524762  0.29793332 -0.01204929
   0.85333772  0.50758463  0.27325573
   0.00890524  0.45344795  0.10780557
   0.76596438  0.45585408  0.09218135
   0.68688135  0.23019996  0.38275988
   0.47470332  0.17499582  0.46194688
   0.71318518  0.06720331  0.52448664
   0.92273745  0.28042438  0.79518036
   0.65369582  0.32228368  0.57870659
   0.92415468  0.54412021  0.85211275
   1.10893827  0.54488496  0.59153135
   0.78438955  0.46333927  0.68086360
   0.73875439  0.12526723  0.90361149
   0.50069638  0.05257196  0.91134506
   0.53495597  0.55255153  0.04244134
   0.84033747  0.74598164  0.32247645
   0.54833684  0.80119032  0.03216561
   0.83289660  1.00743033  0.31411580
   0.95920194  0.88724439  0.17314951
   0.69778394  0.84247783  0.18695263
   0.80415226  0.57537340  0.45288127
   0.54988943  0.68110719  0.39289666
   0.57419539  0.57589979  0.56912437
   0.80082188  0.77781393  0.79499838
   0.67945975  0.81505585  0.50999154
   0.94513866  0.99924971  0.83459107
   1.01416000  0.85778937  0.67879245
   0.76428749  0.97905086  0.68081328
   0.73868930  0.65501027  0.95422876
   0.50195124  0.68244119  0.86630744
   0.65386798  0.76845298  0.67994781
   0.81361160  1.05705812  0.52068473
   1.02893068  0.32566804  0.25895911
   1.11342719  1.38483454  0.34117802
   0.19988797  0.35699746  0.34682256
   0.43314655  0.18312105  0.05760315
   0.30471930  1.33144652 -0.07109571
  -0.20297436  1.53660618  0.05606936
   0.71931084  0.39363644  0.86333850
   0.57086330  0.52458931  0.75386638
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.799211    0.311633    0.017391
    -0.000000    9.791322    0.086569
    -0.000000    0.000000   13.784856
   Si   O    H 
    32    64    10
Direct configuration=  3866
   0.12386647  0.16349211  0.01285839
   0.36001726  0.12591292  0.38902169
   0.17402953  0.45090572  0.07728157
   0.40992065  0.36309951  0.23821470
   0.05392268  0.17641130  0.48008401
   0.35856254  0.11269557  0.86942926
   0.18088941  0.38848239  0.59417362
   0.34945807  0.39208581  0.75798051
   0.14467574  0.74266357 -0.02726342
   0.40983884  0.61782977  0.36095237
   0.10793861  0.94358940  0.14836174
   0.34880502  0.88418462  0.26570585
   0.13600527  0.61733797  0.48436223
   0.35139720  0.69046520  0.81204287
   0.07932372  0.89842009  0.57334495
   0.36347147  0.94832142  0.67727593
   0.61314422  0.13311166  0.97248456
   0.82694960  0.16743750  0.33399944
   0.59710214  0.41043545  0.07353835
   0.92243784  0.39809745  0.20411574
   0.62879149  0.21105436  0.49047239
   0.89792845  0.14564031  0.87047892
   0.61911305  0.46032026  0.65201817
   0.82833065  0.42249195  0.78872923
   0.57678487  0.67433816 -0.03142096
   0.89887180  0.60056302  0.36476373
   0.58671300  0.90924150  0.11481348
   0.83278909  0.86565501  0.24803157
   0.65896391  0.65246924  0.48397121
   0.86495569  0.68318603  0.88603990
   0.65623267  0.89095733  0.62014665
   0.88594528  0.90880259  0.74673834
   0.10979871  0.11140916  0.12207221
   0.36501335  0.21829384  0.28555254
   0.18026694  0.32240399  0.00449461
   0.42102296  0.46212067  0.32364252
   0.56738714  0.37392937  0.18651458
   0.30342352  0.41553738  0.15332409
   0.20762506  0.14335669  0.43444444
  -0.04931367  0.22767435  0.39577559
  -0.00355518  0.03257397  0.52550988
   0.34749622  0.28646407  0.86922517
   0.05314447  0.29926874  0.55942422
   0.30181337  0.52503395  0.81843830
   0.48334004  0.34120115  0.71210684
   0.20893368  0.35492854  0.70731296
   0.22896858  0.08569677 -0.06421976
  -0.02959556  0.17471390  0.97176753
   0.20558466  0.60362849  0.01851788
   0.38617150  0.71870913  0.26555518
   0.17582641  0.86519660  0.05219091
   0.41016262  0.96249945  0.35975940
   0.43615396  0.93768504  0.16808753
   0.19342375  0.92352314  0.24940426
   0.28892179  0.64649315  0.44007648
   0.05090530  0.54855999  0.40071118
   0.30721971  0.36774659  0.52259280
   0.33750409  0.78843843  0.71536521
   0.07489068  0.76936469  0.49713826
   0.33464058  1.06079166  0.76137498
   0.50780842  0.96900667  0.61807988
   0.23449844  0.94648350  0.59961690
   0.24861578  0.77031924 -0.12086738
  -0.01570750  0.75935247  0.94260445
   0.64155552  0.06087567  0.08054601
   0.84354530  0.25449564  0.22936335
   0.58552851  0.29751757 -0.01297386
   0.85489800  0.50738390  0.27305427
   0.00743874  0.45376579  0.10772272
   0.76636584  0.45520565  0.09159687
   0.68426360  0.23013833  0.38292257
   0.47502525  0.17482136  0.46245905
   0.71277163  0.06956524  0.52255719
   0.92131330  0.28031447  0.79515579
   0.65189331  0.32349687  0.57846954
   0.92426857  0.54374475  0.85353194
   1.11052580  0.54795847  0.59182358
   0.78512078  0.46507788  0.68135365
   0.73804327  0.12712098  0.90408267
   0.50246516  0.05351499  0.91183922
   0.53538892  0.55142155  0.04187623
   0.83987992  0.74581734  0.32184089
   0.54779469  0.79884205  0.03304676
   0.83281747  1.00609212  0.31487333
   0.95754496  0.88663879  0.17332076
   0.69688550  0.84458903  0.18689183
   0.80465769  0.57547897  0.45251085
   0.55124127  0.68187517  0.39259784
   0.57444847  0.57615343  0.56953813
   0.80131758  0.77871180  0.79526780
   0.67925801  0.81604666  0.50993759
   0.94360430  0.99762376  0.83493805
   1.01478065  0.85875703  0.67920753
   0.76418665  0.98047964  0.68162995
   0.73762554  0.65544183  0.95418911
   0.50169333  0.68273957  0.86628640
   0.65077359  0.76716829  0.68044584
   0.81162900  1.05489101  0.51928153
   1.03449558  0.32992387  0.26576774
   1.12475468  1.39004677  0.34764398
   0.18738184  0.35250113  0.34407503
   0.44224146  0.17686311  0.05327291
   0.30552573  1.33408076 -0.06765474
  -0.20002759  1.52976280  0.04831524
   0.72149482  0.38963167  0.85907911
   0.57857461  0.52350542  0.75783852
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.799965    0.309817    0.016781
    -0.000000    9.791043    0.086710
    -0.000000    0.000000   13.786627
   Si   O    H 
    32    64    10
Direct configuration=  3867
   0.12323613  0.16219515  0.01229748
   0.36016614  0.12719846  0.38838568
   0.17293477  0.45114233  0.07691392
   0.41112201  0.36276431  0.23784739
   0.05500210  0.17575784  0.47939504
   0.35845844  0.11202385  0.87010217
   0.18059380  0.38845607  0.59401447
   0.34890669  0.39245611  0.75922722
   0.14519747  0.74474061 -0.02731353
   0.40969971  0.61755450  0.36112190
   0.10784509  0.94322627  0.14814593
   0.34986033  0.88371743  0.26615508
   0.13514687  0.61746807  0.48440736
   0.35192847  0.68963221  0.81160158
   0.08037654  0.89547711  0.57332538
   0.36338030  0.94820254  0.67601959
   0.61303340  0.13338472  0.97258459
   0.82862257  0.16781053  0.33315908
   0.59796324  0.40953041  0.07358155
   0.92400245  0.39810834  0.20419439
   0.62769189  0.21211481  0.49067663
   0.89788432  0.14492750  0.87044939
   0.61890662  0.46121957  0.65244595
   0.82812263  0.42426352  0.78951517
   0.57702817  0.67499592 -0.03174237
   0.89834371  0.60046416  0.36521775
   0.58687027  0.90929382  0.11450540
   0.83230557  0.86469754  0.24876415
   0.65901479  0.65190212  0.48161151
   0.86538012  0.68164073  0.88535193
   0.65604802  0.89053878  0.62141184
   0.88428701  0.90817279  0.74674399
   0.10786699  0.11258605  0.12373078
   0.36411346  0.21788339  0.28662544
   0.17885680  0.32265357  0.00474403
   0.42316774  0.46019108  0.32508359
   0.56747150  0.37165903  0.18558791
   0.30414675  0.41611409  0.15412712
   0.20544830  0.14373011  0.43488799
  -0.04770912  0.22782864  0.39653586
  -0.00364212  0.03180141  0.52566889
   0.34812497  0.28722163  0.86921018
   0.05299891  0.29950328  0.56056208
   0.30143511  0.52618000  0.81774554
   0.48497138  0.34044438  0.71276474
   0.20648134  0.35647201  0.70702240
   0.22919027  0.08622546 -0.06557901
  -0.02932212  0.17436006  0.97128933
   0.20645389  0.60407288  0.01870449
   0.38475771  0.71865157  0.26363979
   0.17542738  0.86593316  0.05300962
   0.41035003  0.96161787  0.36076306
   0.43740024  0.93576085  0.16725207
   0.19251360  0.92480770  0.24765771
   0.28839089  0.64599250  0.43922155
   0.05141176  0.54841388  0.40092558
   0.30858781  0.36695201  0.52429938
   0.33782716  0.78853665  0.71527768
   0.07491201  0.77144454  0.49726817
   0.33559170  1.06108608  0.76046826
   0.50676421  0.96958285  0.61763121
   0.23487973  0.94754386  0.59987334
   0.24889500  0.77167792 -0.11846093
  -0.01693240  0.75946859  0.94174938
   0.64374482  0.06186933  0.07982858
   0.84183196  0.25360121  0.22997186
   0.58532860  0.29896877 -0.01352304
   0.85681332  0.50776012  0.27309202
   0.00739625  0.45445449  0.10790370
   0.76614657  0.45420194  0.09071109
   0.68258966  0.23032735  0.38297076
   0.47421021  0.17497171  0.46270514
   0.71250880  0.07167781  0.52109516
   0.91996092  0.28013159  0.79484485
   0.65042392  0.32532832  0.57750732
   0.92424008  0.54198738  0.85504150
   1.11222159  0.55075372  0.59185436
   0.78633373  0.46746026  0.68191315
   0.73766055  0.12844316  0.90455315
   0.50370818  0.05427717  0.91216908
   0.53534076  0.54989171  0.04134711
   0.83952814  0.74542975  0.32170975
   0.54759198  0.79811448  0.03441244
   0.83291379  1.00522133  0.31526249
   0.95581109  0.88687109  0.17343658
   0.69643498  0.84656688  0.18657576
   0.80510658  0.57558926  0.45302305
   0.55273761  0.68245651  0.39201780
   0.57446147  0.57704445  0.57048297
   0.80226317  0.77812379  0.79586688
   0.67992783  0.81683820  0.51034245
   0.94239147  0.99627302  0.83452578
   1.01528245  0.86002593  0.67980449
   0.76438964  0.98152314  0.68245723
   0.73570757  0.65583891  0.95397714
   0.50159762  0.68279884  0.86664469
   0.64737254  0.76653346  0.68215673
   0.80857708  1.05364997  0.51692324
   1.04138273  0.34421606  0.26958281
   1.12595421  1.39985865  0.35010560
   0.19003939  0.34037706  0.33973771
   0.44739990  0.17030567  0.04975172
   0.30359509  1.32932817 -0.06850509
  -0.19839708  1.52103006  0.04564914
   0.71968462  0.38870992  0.85663269
   0.58684823  0.52145084  0.75512278
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.800649    0.308014    0.015871
    -0.000000    9.790244    0.086910
    -0.000000    0.000000   13.788015
   Si   O    H 
    32    64    10
Direct configuration=  3868
   0.12292241  0.16165202  0.01167749
   0.36004765  0.12835158  0.38780158
   0.17225013  0.45183785  0.07682280
   0.41251691  0.36193466  0.23734205
   0.05562138  0.17473385  0.47898540
   0.35869415  0.11128751  0.87058073
   0.17969426  0.38835967  0.59402118
   0.34810916  0.39265068  0.76070004
   0.14603301  0.74670048 -0.02751775
   0.40977176  0.61726673  0.36128077
   0.10791314  0.94311086  0.14827618
   0.35126129  0.88312394  0.26648892
   0.13410853  0.61702861  0.48446881
   0.35230266  0.68853808  0.81131473
   0.08221271  0.89263142  0.57354332
   0.36342201  0.94759448  0.67486491
   0.61312083  0.13377391  0.97305061
   0.82939312  0.16801117  0.33253513
   0.59941571  0.40859506  0.07390292
   0.92588847  0.39778946  0.20406865
   0.62677520  0.21325665  0.49128260
   0.89820169  0.14453325  0.86999176
   0.61853235  0.46176285  0.65294122
   0.82794281  0.42587089  0.79020056
   0.57713439  0.67518551 -0.03177303
   0.89783882  0.60019924  0.36515294
   0.58708549  0.90913064  0.11414585
   0.83198039  0.86419305  0.24965200
   0.65853229  0.65176158  0.47963272
   0.86535066  0.68063492  0.88453442
   0.65587371  0.88927488  0.62245157
   0.88247214  0.90708353  0.74690446
   0.10655727  0.11303957  0.12521384
   0.36353205  0.21723324  0.28763385
   0.17796475  0.32243163  0.00496825
   0.42468826  0.45815912  0.32661509
   0.56624030  0.36976787  0.18431302
   0.30442674  0.41557668  0.15442638
   0.20386281  0.14349076  0.43560744
  -0.04610538  0.22716584  0.39737026
  -0.00443473  0.03050742  0.52600688
   0.34836914  0.28736467  0.86930507
   0.05300895  0.29914737  0.56176156
   0.30174817  0.52773396  0.81672811
   0.48634004  0.33946122  0.71326727
   0.20484392  0.35691268  0.70691328
   0.22912702  0.08659424 -0.06605751
  -0.02903980  0.17372112  0.97083498
   0.20716693  0.60358477  0.01972975
   0.38330908  0.71877131  0.26226017
   0.17595794  0.86592265  0.05356539
   0.41004844  0.96076988  0.36204242
   0.43797816  0.93456364  0.16681011
   0.19158008  0.92549390  0.24647535
   0.28733299  0.64511325  0.43905715
   0.05138708  0.54753568  0.40025553
   0.31016734  0.36650800  0.52574532
   0.33817483  0.78824382  0.71513793
   0.07500771  0.77366808  0.49728768
   0.33660662  1.06136389  0.75990724
   0.50484684  0.97003886  0.61660395
   0.23507711  0.94902081  0.59981325
   0.24800600  0.77344611 -0.11575558
  -0.01833528  0.75858824  0.94154662
   0.64560294  0.06252952  0.07936317
   0.84039112  0.25312248  0.23034770
   0.58526575  0.29993802 -0.01378332
   0.85879136  0.50894245  0.27311122
   0.00703198  0.45488061  0.10822795
   0.76534603  0.45230491  0.09005399
   0.68142469  0.23053845  0.38278037
   0.47341922  0.17453954  0.46278291
   0.71162006  0.07449693  0.51967961
   0.91913368  0.27914854  0.79481527
   0.64979930  0.32622183  0.57667752
   0.92392328  0.53959338  0.85612789
   1.11395376  0.55290992  0.59222540
   0.78676859  0.46984943  0.68190925
   0.73767118  0.12911549  0.90406443
   0.50502757  0.05451567  0.91239624
   0.53496139  0.54856847  0.04059129
   0.83958579  0.74478516  0.32178117
   0.54714469  0.79788008  0.03552833
   0.83362669  1.00421396  0.31533471
   0.95489746  0.88670755  0.17353563
   0.69621482  0.84816723  0.18633044
   0.80504428  0.57557980  0.45409988
   0.55393925  0.68324176  0.39118319
   0.57492028  0.57829337  0.57072933
   0.80309729  0.77690318  0.79621763
   0.68044879  0.81701595  0.51108475
   0.94194146  0.99562629  0.83369509
   1.01507587  0.86151715  0.68027982
   0.76379312  0.98238574  0.68314488
   0.73389109  0.65563184  0.95418116
   0.50168924  0.68299042  0.86650259
   0.64329614  0.76678921  0.68357200
   0.80966087  1.05132118  0.51492099
   1.04827439  0.35903450  0.27004473
   1.13459188  1.40004692  0.35338190
   0.18453363  0.33317912  0.33674661
   0.45265457  0.16604517  0.04788497
   0.30257974  1.32247759 -0.07051880
  -0.19615151  1.51417785  0.04154091
   0.71734110  0.39628141  0.85410349
   0.59193080  0.52106833  0.75008534
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801129    0.306389    0.014961
    -0.000000    9.788780    0.087881
    -0.000000    0.000000   13.789130
   Si   O    H 
    32    64    10
Direct configuration=  3869
   0.12280419  0.16102797  0.01099454
   0.35950821  0.12937054  0.38810302
   0.17167961  0.45263491  0.07698595
   0.41360451  0.36104180  0.23700187
   0.05586165  0.17372387  0.47892569
   0.35920842  0.11099287  0.87112883
   0.17843660  0.38891114  0.59345509
   0.34757454  0.39180823  0.76231789
   0.14672441  0.74783722 -0.02720552
   0.40966932  0.61680278  0.36126214
   0.10721602  0.94292387  0.14850314
   0.35272812  0.88295809  0.26703179
   0.13319860  0.61688155  0.48418207
   0.35235927  0.68810352  0.81094151
   0.08393200  0.89011133  0.57403544
   0.36328828  0.94738413  0.67411143
   0.61249845  0.13414578  0.97361872
   0.83008571  0.16840463  0.33194971
   0.60125781  0.40804563  0.07409348
   0.92797282  0.39723749  0.20484615
   0.62662396  0.21471369  0.49167716
   0.89877652  0.14470341  0.86962638
   0.61799652  0.46177854  0.65363792
   0.82855073  0.42690307  0.79059600
   0.57668574  0.67514375 -0.03213611
   0.89757988  0.59993489  0.36529674
   0.58729627  0.90875749  0.11391513
   0.83166802  0.86360021  0.25032669
   0.65837463  0.65201813  0.47783243
   0.86476633  0.68038478  0.88348571
   0.65590958  0.88775512  0.62360195
   0.88093916  0.90612183  0.74660214
   0.10593777  0.11346922  0.12591908
   0.36284742  0.21622863  0.28820815
   0.17754394  0.32284374  0.00526560
   0.42629145  0.45660134  0.32761282
   0.56407168  0.36723330  0.18334247
   0.30440737  0.41504570  0.15425074
   0.20286745  0.14298478  0.43536268
  -0.04484437  0.22659201  0.39797266
  -0.00462475  0.02964199  0.52627104
   0.34887647  0.28718553  0.86888158
   0.05323887  0.29851900  0.56285786
   0.30256966  0.52992790  0.81608818
   0.48741389  0.33867338  0.71435596
   0.20360174  0.35794656  0.70662073
   0.22934206  0.08691635 -0.06567643
  -0.02888072  0.17235790  0.97052255
   0.20813651  0.60329562  0.02058653
   0.38155706  0.71833639  0.26146020
   0.17664806  0.86560532  0.05393095
   0.40933579  0.95979469  0.36350782
   0.43869921  0.93339435  0.16630738
   0.19173227  0.92640518  0.24573853
   0.28524260  0.64393244  0.43837985
   0.05154285  0.54740241  0.39918355
   0.31182681  0.36580666  0.52696620
   0.33892120  0.78780740  0.71526746
   0.07370335  0.77588207  0.49664320
   0.33765085  1.06185442  0.75913771
   0.50296909  0.97082739  0.61604143
   0.23559678  0.94985241  0.59936820
   0.24724171  0.77531281 -0.11398533
  -0.01811492  0.75679571  0.94154715
   0.64775096  0.06162892  0.07935986
   0.83928693  0.25312258  0.23089340
   0.58559711  0.30105375 -0.01468899
   0.86072833  0.51062829  0.27372149
   0.00652019  0.45579539  0.10872996
   0.76449818  0.45031627  0.08972547
   0.68138954  0.23069789  0.38184251
   0.47307912  0.17370432  0.46316613
   0.71097929  0.07645575  0.51817271
   0.91776560  0.27798115  0.79445023
   0.64958272  0.32743366  0.57613691
   0.92352311  0.53752022  0.85690634
   1.11598772  0.55436542  0.59234224
   0.78682856  0.47249287  0.68242103
   0.73879595  0.12964351  0.90327024
   0.50579643  0.05494809  0.91247627
   0.53442453  0.54821703  0.03963117
   0.84039857  0.74338604  0.32242162
   0.54669495  0.79765052  0.03676841
   0.83447695  1.00331162  0.31512394
   0.95494442  0.88663740  0.17374000
   0.69599161  0.84916684  0.18661433
   0.80461062  0.57546872  0.45495700
   0.55516048  0.68408074  0.39002448
   0.57480220  0.58028142  0.57039284
   0.80376933  0.77553445  0.79648555
   0.68105287  0.81696821  0.51166373
   0.94210731  0.99547380  0.83247782
   1.01570349  0.86139895  0.68070788
   0.76303738  0.98325625  0.68364400
   0.73238258  0.65522350  0.95419354
   0.50205327  0.68297071  0.86595573
   0.63859955  0.76876541  0.68660517
   0.80813698  1.05277440  0.51394482
   1.04891146  0.36981873  0.26528555
   1.15210607  1.39327796  0.35225971
   0.17639174  0.33105450  0.33589822
   0.45183690  0.16367701  0.04776639
   0.30146973  1.31744773 -0.06956561
  -0.19247073  1.50525780  0.03945482
   0.71217090  0.40356815  0.85417044
   0.59151025  0.52499492  0.74405482
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801759    0.304908    0.014441
    -0.000000    9.787041    0.088783
    -0.000000    0.000000   13.790525
   Si   O    H 
    32    64    10
Direct configuration=  3870
   0.12259124  0.16051396  0.01074683
   0.35934341  0.13047397  0.38885052
   0.17159262  0.45325147  0.07702529
   0.41388545  0.36034886  0.23643854
   0.05588910  0.17189443  0.47914743
   0.36038333  0.11075906  0.87118423
   0.17782227  0.38942004  0.59291544
   0.34696298  0.39084319  0.76342986
   0.14727733  0.74844995 -0.02643940
   0.40972078  0.61633246  0.36113203
   0.10640510  0.94273117  0.14865730
   0.35436601  0.88348361  0.26711106
   0.13266664  0.61694429  0.48365660
   0.35199859  0.68877191  0.81132976
   0.08511617  0.88824624  0.57464584
   0.36340822  0.94704127  0.67300762
   0.61173167  0.13524177  0.97417882
   0.83051282  0.16905305  0.33142859
   0.60306983  0.40756304  0.07417792
   0.92990264  0.39612088  0.20569068
   0.62650149  0.21589878  0.49208921
   0.89847026  0.14562257  0.86866574
   0.61712583  0.46171332  0.65405151
   0.82917215  0.42765861  0.79154794
   0.57571499  0.67494564 -0.03193560
   0.89731171  0.59948757  0.36540747
   0.58715555  0.90905891  0.11426142
   0.83140065  0.86398536  0.25062434
   0.65759764  0.65250354  0.47675057
   0.86328054  0.68044242  0.88241966
   0.65537586  0.88638744  0.62466598
   0.87989650  0.90522956  0.74659257
   0.10555046  0.11293315  0.12620531
   0.36305276  0.21590391  0.28829699
   0.17699718  0.32301888  0.00480972
   0.42700000  0.45582540  0.32869056
   0.56174581  0.36411654  0.18180697
   0.30398681  0.41398884  0.15456856
   0.20181565  0.14250382  0.43471594
  -0.04383337  0.22572759  0.39808876
  -0.00501283  0.02802773  0.52685875
   0.34986682  0.28717450  0.86813601
   0.05305424  0.29729303  0.56367472
   0.30340415  0.53256377  0.81493153
   0.48899319  0.33829796  0.71536091
   0.20221185  0.35871974  0.70681070
   0.22850403  0.08666937 -0.06521435
  -0.02833234  0.17144310  0.97083191
   0.20852352  0.60200443  0.02152464
   0.37982736  0.71775512  0.26070358
   0.17697924  0.86563576  0.05437823
   0.40738586  0.95829260  0.36455567
   0.43997835  0.93255253  0.16625451
   0.19226076  0.92675015  0.24532982
   0.28449463  0.64251798  0.43795757
   0.05179133  0.54807686  0.39835926
   0.31268018  0.36478167  0.52833010
   0.34010961  0.78748127  0.71553594
   0.07290434  0.77728747  0.49645811
   0.33822058  1.06154271  0.75834445
   0.50062967  0.97102323  0.61560307
   0.23604835  0.95016941  0.59889484
   0.24737106  0.77859775 -0.11281141
  -0.01731488  0.75541072  0.94161749
   0.64959461  0.05981376  0.07944238
   0.83829540  0.25412884  0.23086738
   0.58618117  0.30158406 -0.01547017
   0.86191494  0.51204554  0.27326148
   0.00649699  0.45689630  0.10910376
   0.76392699  0.44815030  0.08940503
   0.68177318  0.23063905  0.38062154
   0.47224051  0.17259989  0.46333524
   0.71034229  0.07850276  0.51754904
   0.91634801  0.27706417  0.79430443
   0.64962231  0.32836881  0.57559626
   0.92368385  0.53537583  0.85713687
   1.11788616  0.55631389  0.59230987
   0.78729349  0.47481317  0.68312665
   0.73996529  0.13030272  0.90211002
   0.50526740  0.05549957  0.91167239
   0.53292470  0.54741936  0.03862845
   0.84144902  0.74342535  0.32283938
   0.54686492  0.79830513  0.03774144
   0.83535370  1.00186540  0.31537431
   0.95497869  0.88624333  0.17386005
   0.69579110  0.84994315  0.18705460
   0.80383304  0.57523280  0.45593813
   0.55496789  0.68446812  0.38912850
   0.57490483  0.58200890  0.57024954
   0.80382333  0.77423104  0.79738425
   0.68100856  0.81692285  0.51276419
   0.94240865  0.99580928  0.83165009
   1.01576166  0.86173842  0.68100781
   0.76246258  0.98434125  0.68390101
   0.73107805  0.65528135  0.95446375
   0.50192481  0.68314388  0.86557717
   0.63653007  0.77235058  0.69031397
   0.80828912  1.05484684  0.51111764
   1.04762132  0.37989781  0.25751623
   1.16326806  1.40416217  0.35351237
   0.17483688  0.31219743  0.33391439
   0.44720140  0.16120431  0.04890255
   0.30013426  1.31854176 -0.06889115
  -0.18743320  1.49607672  0.03702054
   0.70534462  0.40940444  0.85617113
   0.58384589  0.53194957  0.74123061
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802452    0.303049    0.014088
    -0.000000    9.785492    0.089637
    -0.000000    0.000000   13.791822
   Si   O    H 
    32    64    10
Direct configuration=  3871
   0.12310880  0.16011006  0.01080778
   0.35906726  0.13118959  0.38953741
   0.17186510  0.45395559  0.07719776
   0.41462561  0.35996411  0.23572572
   0.05599501  0.17005172  0.47926083
   0.36149527  0.11060393  0.87108424
   0.17754642  0.39025413  0.59250820
   0.34725166  0.39013402  0.76389715
   0.14788854  0.74893449 -0.02536308
   0.40960842  0.61587011  0.36050330
   0.10615110  0.94293416  0.14878739
   0.35580326  0.88435348  0.26690406
   0.13265128  0.61699671  0.48302135
   0.35209439  0.69001132  0.81178624
   0.08671364  0.88759516  0.57551538
   0.36357736  0.94719667  0.67200954
   0.61154479  0.13695762  0.97488654
   0.83122801  0.16925816  0.33076974
   0.60494061  0.40712844  0.07413340
   0.93133079  0.39500079  0.20662435
   0.62600613  0.21748003  0.49261441
   0.89751154  0.14607551  0.86779718
   0.61605517  0.46124499  0.65421104
   0.82977486  0.42782598  0.79246013
   0.57484129  0.67455889 -0.03179119
   0.89675700  0.59889293  0.36502760
   0.58714957  0.90911826  0.11502162
   0.83103382  0.86449673  0.25043112
   0.65695504  0.65279585  0.47588650
   0.86177376  0.68049412  0.88179900
   0.65541954  0.88442446  0.62557796
   0.87901478  0.90453303  0.74624766
   0.10479364  0.11220808  0.12646309
   0.36259341  0.21629285  0.28818512
   0.17641846  0.32284350  0.00396627
   0.42746085  0.45499047  0.32985941
   0.55968528  0.36034162  0.18065697
   0.30307317  0.41299348  0.15427445
   0.20113419  0.14212039  0.43375144
  -0.04375553  0.22576273  0.39768084
  -0.00524963  0.02601986  0.52759432
   0.35087943  0.28718197  0.86777248
   0.05297371  0.29543064  0.56420787
   0.30480770  0.53492694  0.81394869
   0.48967695  0.33816033  0.71700424
   0.20107773  0.35996520  0.70679704
   0.22710891  0.08731138 -0.06445413
  -0.02754091  0.17106765  0.97100376
   0.20861492  0.60080675  0.02289516
   0.37827074  0.71712249  0.26021848
   0.17655164  0.86626948  0.05512847
   0.40567916  0.95726159  0.36566413
   0.44090400  0.93230435  0.16654844
   0.19309721  0.92684120  0.24522254
   0.28374684  0.64116884  0.43757017
   0.05152263  0.54831342  0.39801068
   0.31241139  0.36480228  0.52939898
   0.34090998  0.78720269  0.71639353
   0.07212361  0.77748241  0.49605906
   0.33930171  1.06152886  0.75737993
   0.49903844  0.97115342  0.61520976
   0.23615603  0.95065779  0.59837929
   0.24711468  0.78098694 -0.11270891
  -0.01648643  0.75473804  0.94163537
   0.65004560  0.05831775  0.07930684
   0.83766274  0.25418116  0.23055978
   0.58672451  0.30273975 -0.01612343
   0.86274308  0.51328586  0.27255814
   0.00668100  0.45846780  0.10946755
   0.76404560  0.44544283  0.08895994
   0.68300546  0.23094051  0.37948409
   0.47169138  0.17219509  0.46358255
   0.71028295  0.07899278  0.51669024
   0.91503527  0.27570224  0.79400663
   0.64860144  0.32896366  0.57515139
   0.92431885  0.53284552  0.85713889
   1.12007217  0.55767788  0.59243683
   0.78751886  0.47776925  0.68370060
   0.74158800  0.13039048  0.90095318
   0.50487726  0.05586007  0.91007521
   0.53154991  0.54627147  0.03774207
   0.84276645  0.74310516  0.32389301
   0.54653282  0.79959238  0.03848469
   0.83688715  1.00023767  0.31565444
   0.95534891  0.88598135  0.17352294
   0.69589376  0.85099485  0.18862516
   0.80315430  0.57498769  0.45748585
   0.55475961  0.68453701  0.38831391
   0.57556944  0.58329440  0.56992271
   0.80304651  0.77378529  0.79817329
   0.68097606  0.81662802  0.51420030
   0.94315946  0.99583132  0.83071159
   1.01550296  0.86263861  0.68186770
   0.76194463  0.98507528  0.68419432
   0.73149654  0.65483626  0.95449077
   0.50109163  0.68335529  0.86536195
   0.63472307  0.77438461  0.69383986
   0.80832182  1.06036545  0.50988284
   1.05183730  0.38572042  0.25278315
   1.17587755  1.39439340  0.34952637
   0.16824697  0.31171138  0.33554277
   0.43875746  0.16248628  0.04811011
   0.29532044  1.32001826 -0.07018433
  -0.18412833  1.48723102  0.03509904
   0.69988518  0.41222787  0.85638129
   0.57159716  0.54682576  0.73895305
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802448    0.301252    0.013306
    -0.000000    9.783380    0.090842
    -0.000000    0.000000   13.793735
   Si   O    H 
    32    64    10
Direct configuration=  3872
   0.12342251  0.15983551  0.01083975
   0.35767888  0.13162087  0.39068841
   0.17165703  0.45505769  0.07717265
   0.41570218  0.35899661  0.23519024
   0.05617457  0.16859696  0.47985243
   0.36224861  0.11021918  0.87087942
   0.17784692  0.39117600  0.59166980
   0.34733551  0.38897518  0.76408900
   0.14831883  0.74902894 -0.02452948
   0.40942805  0.61514534  0.35959029
   0.10542152  0.94339327  0.14843539
   0.35701574  0.88466897  0.26640573
   0.13301635  0.61713435  0.48282116
   0.35231073  0.69166602  0.81218060
   0.08797819  0.88773098  0.57674660
   0.36432021  0.94698719  0.67104305
   0.61133790  0.13844023  0.97575507
   0.83178529  0.16888063  0.33006398
   0.60693430  0.40614439  0.07406989
   0.93226230  0.39385679  0.20744341
   0.62574826  0.21858809  0.49307521
   0.89696468  0.14658995  0.86669058
   0.61537031  0.46025015  0.65460959
   0.82959667  0.42806617  0.79301709
   0.57469868  0.67382305 -0.03157859
   0.89591877  0.59814861  0.36421222
   0.58678675  0.91005813  0.11583885
   0.83055312  0.86540052  0.25010297
   0.65611454  0.65323426  0.47497392
   0.86048058  0.68109334  0.88149661
   0.65588514  0.88255591  0.62638538
   0.87840146  0.90411093  0.74585500
   0.10347404  0.11133426  0.12682953
   0.36250962  0.21748426  0.28796604
   0.17537392  0.32291778  0.00245112
   0.42680920  0.45397196  0.33094788
   0.55741631  0.35615065  0.17977525
   0.30219318  0.41269510  0.15397776
   0.20111304  0.14163178  0.43250535
  -0.04376919  0.22492457  0.39729316
  -0.00535735  0.02432249  0.52833922
   0.35164300  0.28731029  0.86811261
   0.05188819  0.29337558  0.56480896
   0.30628802  0.53594661  0.81338356
   0.49024151  0.33825447  0.71802094
   0.20018625  0.36026793  0.70699944
   0.22586244  0.08724402 -0.06422888
  -0.02669644  0.17123761  0.97028333
   0.20839757  0.59898637  0.02403563
   0.37721702  0.71634357  0.25957021
   0.17618632  0.86664603  0.05617963
   0.40440223  0.95590493  0.36631468
   0.44208449  0.93263174  0.16728577
   0.19362054  0.92672134  0.24567432
   0.28351364  0.64008184  0.43760290
   0.05091090  0.54826968  0.39759807
   0.31197640  0.36514494  0.53062244
   0.34194998  0.78687950  0.71731877
   0.07167514  0.77746147  0.49521507
   0.34016341  1.06223646  0.75714758
   0.49897326  0.97167823  0.61474882
   0.23732715  0.95203727  0.59800987
   0.24676957  0.78326324 -0.11321724
  -0.01572922  0.75350809  0.94215979
   0.64954371  0.05612183  0.07964749
   0.83707606  0.25438273  0.23000012
   0.58704611  0.30395111 -0.01660188
   0.86366434  0.51323775  0.27148366
   0.00656155  0.45960008  0.11005017
   0.76508949  0.44297094  0.08929699
   0.68428433  0.23095352  0.37811636
   0.47148888  0.17130270  0.46438712
   0.71032327  0.07868254  0.51617206
   0.91410670  0.27428959  0.79348641
   0.64752392  0.32979229  0.57445583
   0.92430288  0.53013744  0.85697838
   1.12241971  0.55804578  0.59207671
   0.78805969  0.48024709  0.68442116
   0.74180021  0.13032378  0.90039581
   0.50464323  0.05519250  0.90826835
   0.53029531  0.54555572  0.03699153
   0.84415334  0.74321162  0.32438543
   0.54629458  0.80008829  0.03917070
   0.83930310  0.99999536  0.31592811
   0.95612298  0.88539140  0.17292834
   0.69590736  0.85122715  0.19055264
   0.80276034  0.57481346  0.45881799
   0.55466631  0.68447882  0.38714096
   0.57555609  0.58362164  0.56979630
   0.80246767  0.77343144  0.79821498
   0.68146333  0.81641966  0.51517662
   0.94340753  0.99570460  0.82968061
   1.01454817  0.86240551  0.68259522
   0.76130474  0.98603328  0.68365764
   0.73256366  0.65452520  0.95449754
   0.50092641  0.68337328  0.86498917
   0.63714492  0.77516244  0.69543896
   0.80277446  1.06727108  0.51218544
   1.06502583  0.38736325  0.25639622
   1.18114789  1.37416361  0.34168121
   0.16054646  0.32293648  0.33917105
   0.42490299  0.16449276  0.04928126
   0.29169517  1.32189945 -0.07148767
  -0.17959561  1.47489370  0.03653480
   0.69776886  0.41307588  0.85407636
   0.55940585  0.56126133  0.73750556
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802461    0.299420    0.013161
    -0.000000    9.781408    0.092228
    -0.000000    0.000000   13.795281
   Si   O    H 
    32    64    10
Direct configuration=  3873
   0.12301539  0.15974342  0.01126928
   0.35640715  0.13204810  0.39128992
   0.17140905  0.45687253  0.07696491
   0.41696221  0.35790256  0.23468299
   0.05637265  0.16659180  0.48064510
   0.36198139  0.10997742  0.87104755
   0.17866188  0.39160246  0.59139895
   0.34687238  0.38790474  0.76433105
   0.14924911  0.74921370 -0.02348553
   0.40894932  0.61447618  0.35897988
   0.10463345  0.94372204  0.14856677
   0.35720877  0.88482352  0.26612714
   0.13367839  0.61782459  0.48251885
   0.35298729  0.69360925  0.81247269
   0.08853752  0.88866909  0.57820599
   0.36416543  0.94641739  0.67023245
   0.61096432  0.13924290  0.97666360
   0.83217405  0.16849119  0.32936087
   0.60901925  0.40554108  0.07379720
   0.93324334  0.39280206  0.20837819
   0.62599955  0.21960772  0.49343506
   0.89656004  0.14629680  0.86531093
   0.61497308  0.45906756  0.65500382
   0.82947323  0.42803227  0.79372819
   0.57394492  0.67255057 -0.03103652
   0.89566533  0.59713381  0.36339374
   0.58637360  0.91053760  0.11650936
   0.83067444  0.86618142  0.24969993
   0.65509428  0.65402324  0.47450951
   0.85932494  0.68144493  0.88178722
   0.65592754  0.88071808  0.62680649
   0.87861393  0.90414523  0.74561527
   0.10283766  0.11118954  0.12685219
   0.36239851  0.21889440  0.28801932
   0.17403481  0.32389739  0.00067848
   0.42614665  0.45326286  0.33185037
   0.55587753  0.35202749  0.17904565
   0.30160473  0.41282200  0.15384957
   0.20093266  0.14098167  0.43178022
  -0.04415014  0.22477811  0.39659949
  -0.00472848  0.02272717  0.52881625
   0.35304267  0.28770872  0.86763994
   0.05123155  0.29094142  0.56519366
   0.30748231  0.53653269  0.81325931
   0.49102829  0.33754887  0.71956080
   0.20026125  0.35991038  0.70776439
   0.22494892  0.08676376 -0.06449125
  -0.02655849  0.17109439  0.96978120
   0.20824532  0.59737487  0.02495820
   0.37616982  0.71566832  0.25946755
   0.17584186  0.86726354  0.05764954
   0.40226287  0.95567596  0.36742825
   0.44380742  0.93299062  0.16826546
   0.19504540  0.92599544  0.24621949
   0.28327678  0.63898744  0.43745091
   0.04885115  0.54839570  0.39709432
   0.31113388  0.36541078  0.53174783
   0.34381778  0.78653650  0.71756965
   0.07135832  0.77719946  0.49464580
   0.34061945  1.06271206  0.75639929
   0.49962843  0.97126786  0.61440758
   0.23832529  0.95343498  0.59746240
   0.24648139  0.78463297 -0.11429018
  -0.01509918  0.75257107  0.94297757
   0.64924836  0.05450250  0.08040185
   0.83715848  0.25470812  0.22901392
   0.58756869  0.30506548 -0.01723729
   0.86416739  0.51208647  0.27031371
   0.00662017  0.45982716  0.11100567
   0.76623873  0.44016332  0.09011170
   0.68627354  0.23041730  0.37678915
   0.47180764  0.17020616  0.46580388
   0.71020256  0.07745519  0.51628463
   0.91257613  0.27358731  0.79284191
   0.64645060  0.33061399  0.57331434
   0.92437035  0.52847664  0.85713639
   1.12391811  0.55819638  0.59128374
   0.78834604  0.48290261  0.68503277
   0.74272181  0.12977876  0.89978081
   0.50379201  0.05457079  0.90640313
   0.52858196  0.54472845  0.03620768
   0.84551754  0.74372550  0.32523302
   0.54711135  0.80047973  0.03942014
   0.84129306  1.00056512  0.31650880
   0.95735212  0.88448251  0.17209248
   0.69551175  0.85090827  0.19272003
   0.80162449  0.57471185  0.45985479
   0.55498244  0.68388245  0.38578904
   0.57551766  0.58457945  0.56931655
   0.80230976  0.77403459  0.79796567
   0.68248489  0.81577046  0.51660640
   0.94381077  0.99561105  0.82826601
   1.01287495  0.86248607  0.68327687
   0.76075238  0.98735691  0.68318749
   0.73336111  0.65421396  0.95460581
   0.50066710  0.68416745  0.86476568
   0.63769137  0.77425117  0.69670748
   0.81015707  1.07376595  0.51379437
   1.07676450  0.39260953  0.25919430
   1.19934341  1.39474808  0.33588374
   0.13936221  0.29493108  0.33880905
   0.41223726  0.16619707  0.04912802
   0.28766663  1.32115377 -0.07481860
  -0.17474885  1.46306075  0.03937615
   0.69780678  0.41041577  0.85338110
   0.55290626  0.57289978  0.73351446
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802311    0.297251    0.013214
    -0.000000    9.779484    0.094072
    -0.000000    0.000000   13.796886
   Si   O    H 
    32    64    10
Direct configuration=  3874
   0.12227828  0.15946406  0.01167016
   0.35523434  0.13271895  0.39214186
   0.17194910  0.45787356  0.07725752
   0.41777694  0.35757482  0.23449878
   0.05729863  0.16492583  0.48149752
   0.36189208  0.10983246  0.87109114
   0.17971553  0.39157171  0.59085259
   0.34572497  0.38696615  0.76437498
   0.15004542  0.74994298 -0.02260669
   0.40814708  0.61442180  0.35825198
   0.10455426  0.94461785  0.14844720
   0.35759459  0.88445752  0.26572302
   0.13395403  0.61884607  0.48249666
   0.35362034  0.69533431  0.81302682
   0.08913808  0.88985706  0.57960201
   0.36385081  0.94620816  0.66982908
   0.61121476  0.13985222  0.97742888
   0.83267958  0.16776778  0.32887767
   0.61125855  0.40540048  0.07359177
   0.93459971  0.39174697  0.20921762
   0.62638951  0.22003367  0.49366864
   0.89547898  0.14629529  0.86433374
   0.61439592  0.45749115  0.65518289
   0.82914791  0.42717128  0.79431683
   0.57344528  0.67147006 -0.03102115
   0.89493604  0.59680068  0.36272818
   0.58615346  0.91150343  0.11694337
   0.83076041  0.86761702  0.24942859
   0.65416025  0.65489668  0.47483744
   0.85824920  0.68137474  0.88278894
   0.65511130  0.87935466  0.62725083
   0.87867518  0.90418372  0.74513663
   0.10240734  0.11105567  0.12718738
   0.36295954  0.21951554  0.28853444
   0.17269242  0.32502797 -0.00042297
   0.42540123  0.45335155  0.33238926
   0.55425011  0.34951953  0.17850547
   0.30051408  0.41331782  0.15379994
   0.20179345  0.13990996  0.43127439
  -0.04460302  0.22518925  0.39677927
  -0.00516601  0.02160393  0.52963112
   0.35422386  0.28853932  0.86741915
   0.05109918  0.28826406  0.56514916
   0.30821134  0.53617655  0.81283249
   0.49207216  0.33749985  0.72103933
   0.20021248  0.35901502  0.70854680
   0.22447770  0.08635309 -0.06435929
  -0.02625606  0.17037189  0.96851753
   0.20806199  0.59537914  0.02540529
   0.37501018  0.71561706  0.25994413
   0.17544129  0.86783040  0.05881528
   0.40006653  0.95636404  0.36814933
   0.44516509  0.93362347  0.17007579
   0.19623696  0.92592274  0.24682463
   0.28333377  0.63847723  0.43688299
   0.04680337  0.54946442  0.39702098
   0.31051642  0.36550135  0.53270185
   0.34538145  0.78605092  0.71730293
   0.07170842  0.77649419  0.49432441
   0.34095960  1.06300701  0.75618974
   0.50064432  0.97131591  0.61426195
   0.23927604  0.95493665  0.59659207
   0.24571168  0.78566042 -0.11507618
  -0.01510617  0.75125170  0.94314631
   0.64922874  0.05319222  0.08066611
   0.83757800  0.25488313  0.22740355
   0.58804303  0.30666553 -0.01739533
   0.86385545  0.51060198  0.26909551
   0.00736854  0.46036525  0.11195833
   0.76673309  0.43729845  0.09138939
   0.68838156  0.22944248  0.37581813
   0.47237508  0.16957908  0.46700235
   0.71000032  0.07573240  0.51650193
   0.91082614  0.27275870  0.79233649
   0.64606830  0.33180211  0.57213580
   0.92522207  0.52682685  0.85761409
   1.12450725  0.55842909  0.59007835
   0.78860309  0.48441513  0.68599997
   0.74321166  0.12897199  0.89949231
   0.50284917  0.05461753  0.90398910
   0.52663365  0.54408471  0.03558176
   0.84604572  0.74365528  0.32621374
   0.54768730  0.80031475  0.03902228
   0.84264429  1.00119255  0.31725846
   0.95811238  0.88446874  0.17151160
   0.69455252  0.85043052  0.19454985
   0.79932808  0.57576550  0.46024376
   0.55524707  0.68308315  0.38482111
   0.57476422  0.58457017  0.56816714
   0.80243444  0.77417340  0.79735226
   0.68433911  0.81422391  0.51808432
   0.94450316  0.99573122  0.82662921
   1.01196483  0.86228109  0.68335988
   0.76029893  0.98890552  0.68247160
   0.73378416  0.65358887  0.95464224
   0.50023756  0.68462299  0.86462916
   0.63803176  0.76969588  0.69897413
   0.81933594  1.07791045  0.51514493
   1.08461440  0.39402259  0.25793835
   1.20623214  1.39616007  0.33172373
   0.13068056  0.28601940  0.34020365
   0.40089798  0.16572364  0.04831880
   0.28862709  1.31759888 -0.07800416
  -0.15927727  1.45369000  0.03928133
   0.69725426  0.40632931  0.85094873
   0.55254671  0.57666444  0.72591353
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802014    0.295101    0.012934
    -0.000000    9.777614    0.096049
    -0.000000    0.000000   13.798859
   Si   O    H 
    32    64    10
Direct configuration=  3875
   0.12150329  0.15918444  0.01212343
   0.35436546  0.13262737  0.39291355
   0.17223390  0.45862409  0.07746581
   0.41783131  0.35717619  0.23486400
   0.05770459  0.16350709  0.48234480
   0.36126949  0.10988585  0.87043478
   0.18109985  0.39181250  0.59048246
   0.34443045  0.38581506  0.76427762
   0.15014824  0.75054840 -0.02135550
   0.40699900  0.61489362  0.35795320
   0.10458713  0.94553963  0.14900188
   0.35781694  0.88413904  0.26579770
   0.13434519  0.62028243  0.48264636
   0.35353458  0.69769030  0.81326329
   0.08974001  0.89124257  0.58093710
   0.36358380  0.94580789  0.66963743
   0.61134756  0.13996008  0.97743131
   0.83297993  0.16775970  0.32824328
   0.61366095  0.40528978  0.07323569
   0.93618393  0.39076394  0.21011370
   0.62714748  0.21981196  0.49371534
   0.89478211  0.14580650  0.86323834
   0.61359561  0.45663617  0.65527646
   0.82884953  0.42657548  0.79471776
   0.57303857  0.67041394 -0.03052973
   0.89401955  0.59591529  0.36248553
   0.58613590  0.91232245  0.11723672
   0.83191625  0.86948228  0.24924965
   0.65340366  0.65596173  0.47586618
   0.85799942  0.68076838  0.88344156
   0.65422635  0.87881803  0.62750815
   0.87795770  0.90465272  0.74513570
   0.10248145  0.11095642  0.12701190
   0.36339498  0.21977490  0.28894456
   0.17082882  0.32668974 -0.00077097
   0.42513958  0.45398079  0.33298231
   0.55267780  0.34718339  0.17726118
   0.29920997  0.41364974  0.15355072
   0.20298331  0.13782151  0.43080742
  -0.04521962  0.22512148  0.39673584
  -0.00555381  0.02147325  0.53051456
   0.35537514  0.28971143  0.86700378
   0.05133077  0.28566193  0.56553724
   0.30978473  0.53558201  0.81193066
   0.49309090  0.33786443  0.72237137
   0.20162582  0.35833528  0.70960335
   0.22414543  0.08618817 -0.06364522
  -0.02603781  0.16947048  0.96664640
   0.20724700  0.59412709  0.02513402
   0.37392760  0.71519856  0.26074782
   0.17560598  0.86771717  0.05951158
   0.39733467  0.95807264  0.36909127
   0.44620491  0.93513956  0.17165103
   0.19756225  0.92553931  0.24678013
   0.28364091  0.63799456  0.43656568
   0.04504154  0.55047673  0.39677705
   0.31063022  0.36588979  0.53303672
   0.34705202  0.78586325  0.71691527
   0.07200122  0.77568273  0.49442766
   0.34114433  1.06381684  0.75587529
   0.50313908  0.97066699  0.61407231
   0.24007460  0.95612860  0.59583792
   0.24519377  0.78664128 -0.11589207
  -0.01481307  0.74933165  0.94275414
   0.64922183  0.05248163  0.08017331
   0.83811757  0.25438605  0.22540691
   0.58785776  0.30780553 -0.01755695
   0.86332465  0.50927496  0.26794312
   0.00805437  0.46055742  0.11285993
   0.76750863  0.43560146  0.09295232
   0.68998187  0.22877242  0.37521661
   0.47261044  0.16824021  0.46881922
   0.71034261  0.07457459  0.51640603
   0.90969287  0.27193418  0.79165351
   0.64503671  0.33290802  0.57107464
   0.92558285  0.52529096  0.85808671
   1.12504090  0.55782529  0.58932796
   0.78895010  0.48494819  0.68714179
   0.74280024  0.12849344  0.89933456
   0.50258232  0.05365810  0.90173741
   0.52471380  0.54341279  0.03489224
   0.84745619  0.74421687  0.32678310
   0.54821333  0.80041260  0.03795318
   0.84389053  1.00141815  0.31734386
   0.95852839  0.88400368  0.17100419
   0.69359630  0.84928871  0.19554734
   0.79729618  0.57555698  0.45987752
   0.55597372  0.68140135  0.38347568
   0.57398246  0.58466441  0.56671941
   0.80183251  0.77439013  0.79704502
   0.68645175  0.81319600  0.51957788
   0.94452249  0.99643071  0.82560726
   1.01226657  0.86251149  0.68344413
   0.75981852  0.98949170  0.68164479
   0.73437129  0.65424931  0.95531422
   0.49959770  0.68537745  0.86494504
   0.63964504  0.76902530  0.69941015
   0.81822031  1.08307693  0.51818416
   1.08463227  0.39182483  0.25578854
   1.20352477  1.38851007  0.33009834
   0.12903532  0.29135690  0.34149228
   0.39400444  0.16325089  0.04552507
   0.28782741  1.31380401 -0.07902877
  -0.15182932  1.44442675  0.04392478
   0.69766087  0.40205283  0.84666487
   0.55370151  0.57120927  0.71731508
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801836    0.292757    0.013012
    -0.000000    9.776017    0.097576
    -0.000000    0.000000   13.800684
   Si   O    H 
    32    64    10
Direct configuration=  3876
   0.12066429  0.15968725  0.01215765
   0.35432296  0.13214305  0.39369702
   0.17250651  0.45871284  0.07769399
   0.41742369  0.35707941  0.23549429
   0.05805805  0.16314213  0.48296689
   0.35981031  0.11047752  0.86957394
   0.18294110  0.39200628  0.59024896
   0.34389423  0.38442292  0.76401544
   0.15001905  0.75048458 -0.02003326
   0.40568312  0.61550727  0.35823253
   0.10465847  0.94615877  0.14968094
   0.35759824  0.88386373  0.26559264
   0.13460429  0.62187479  0.48270380
   0.35284523  0.69943573  0.81386967
   0.08975743  0.89267860  0.58190571
   0.36296670  0.94523961  0.66965960
   0.61141899  0.14039524  0.97722614
   0.83338689  0.16814364  0.32791743
   0.61508303  0.40528648  0.07300921
   0.93812577  0.38978941  0.21088137
   0.62753195  0.21929311  0.49375034
   0.89415374  0.14523971  0.86232044
   0.61273436  0.45594260  0.65495141
   0.82830741  0.42588557  0.79522467
   0.57284537  0.66904796 -0.03011039
   0.89276152  0.59486159  0.36224387
   0.58553313  0.91314720  0.11756520
   0.83342822  0.87102649  0.24947151
   0.65282123  0.65720079  0.47748664
   0.85861536  0.68013097  0.88395763
   0.65351910  0.87856000  0.62794707
   0.87740308  0.90501477  0.74507176
   0.10210566  0.11036997  0.12641688
   0.36447874  0.22008928  0.28919477
   0.16847083  0.32782452 -0.00060307
   0.42513348  0.45501629  0.33375642
   0.55148780  0.34445361  0.17556478
   0.29748280  0.41397687  0.15260951
   0.20363064  0.13589719  0.43057022
  -0.04633813  0.22485112  0.39618305
  -0.00535604  0.02114875  0.53101671
   0.35633298  0.29037180  0.86647380
   0.05139400  0.28309264  0.56564388
   0.31140469  0.53585375  0.81139420
   0.49464724  0.33854437  0.72345749
   0.20302416  0.35797622  0.71043804
   0.22364840  0.08563353 -0.06324263
  -0.02604292  0.16871998  0.96524201
   0.20628515  0.59425753  0.02465446
   0.37337923  0.71396275  0.26171843
   0.17534363  0.86834920  0.05958931
   0.39447192  0.95983857  0.36928178
   0.44574214  0.93653476  0.17333686
   0.19805508  0.92539777  0.24662386
   0.28433198  0.63742728  0.43605834
   0.04350674  0.55099428  0.39692344
   0.31088467  0.36612829  0.53295672
   0.34790858  0.78659855  0.71606345
   0.07200502  0.77565629  0.49544537
   0.34113608  1.06488106  0.75586968
   0.50542216  0.97000995  0.61327437
   0.23941948  0.95645692  0.59476267
   0.24495033  0.78722675 -0.11603684
  -0.01444595  0.74713591  0.94213021
   0.64908505  0.05247875  0.07886062
   0.83888078  0.25396659  0.22353878
   0.58781711  0.30827866 -0.01796316
   0.86260874  0.50904765  0.26674840
   0.00826071  0.46043780  0.11380911
   0.76909775  0.43444908  0.09427964
   0.69093902  0.22948887  0.37477910
   0.47236201  0.16698688  0.47012507
   0.71110089  0.07386241  0.51621688
   0.90804922  0.27214630  0.79099959
   0.64365924  0.33435509  0.56998491
   0.92522861  0.52472102  0.85890967
   1.12564701  0.55676453  0.58960675
   0.78830604  0.48530975  0.68806656
   0.74255382  0.12797235  0.89920325
   0.50394143  0.05314562  0.90026802
   0.52351634  0.54264102  0.03431833
   0.84937176  0.74514481  0.32763086
   0.54908440  0.80132497  0.03677949
   0.84488006  1.00159591  0.31785690
   0.95939662  0.88329351  0.17061190
   0.69298596  0.84869452  0.19598636
   0.79559022  0.57510212  0.45917829
   0.55784466  0.68022656  0.38205441
   0.57301531  0.58519782  0.56545718
   0.80129596  0.77478415  0.79609344
   0.68938412  0.81098516  0.52090580
   0.94425993  0.99717023  0.82490702
   1.01231890  0.86283294  0.68326058
   0.75910336  0.98981656  0.68152135
   0.73493460  0.65439079  0.95636455
   0.49842860  0.68597812  0.86524903
   0.63923656  0.76994770  0.69746934
   0.80665432  1.08814218  0.52285545
   1.07406159  0.38851246  0.24928829
   1.19151135  1.37139051  0.32972897
   0.14120834  0.30713651  0.34249506
   0.39401657  0.15866859  0.04253525
   0.28737595  1.31117617 -0.07817921
  -0.15234423  1.43635397  0.04989504
   0.69804108  0.39893330  0.84108240
   0.55710858  0.56094639  0.71345856
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801450    0.289838    0.012908
    -0.000000    9.774386    0.099108
    -0.000000    0.000000   13.802547
   Si   O    H 
    32    64    10
Direct configuration=  3877
   0.11992630  0.16070534  0.01233972
   0.35471230  0.13175254  0.39430394
   0.17280060  0.45898433  0.07778966
   0.41651187  0.35695004  0.23692392
   0.05828102  0.16268363  0.48348957
   0.35823724  0.11091217  0.86864561
   0.18423105  0.39214252  0.59054956
   0.34402071  0.38302044  0.76370229
   0.14960981  0.75028192 -0.01904892
   0.40470050  0.61585027  0.35815151
   0.10501711  0.94684489  0.14980171
   0.35711938  0.88309721  0.26542538
   0.13485299  0.62329556  0.48320427
   0.35228113  0.70083632  0.81448674
   0.08976207  0.89482932  0.58270130
   0.36192024  0.94434158  0.66998406
   0.61102001  0.14066916  0.97694011
   0.83355867  0.16809998  0.32783809
   0.61601970  0.40548229  0.07314208
   0.93960275  0.38942828  0.21168518
   0.62797186  0.21851552  0.49318975
   0.89344465  0.14477977  0.86185995
   0.61150450  0.45581318  0.65418267
   0.82778326  0.42559095  0.79537033
   0.57282209  0.66806022 -0.02970834
   0.89174508  0.59366907  0.36208930
   0.58462506  0.91308258  0.11817596
   0.83473161  0.87267458  0.24986708
   0.65248402  0.65879339  0.47853651
   0.85907577  0.67945151  0.88452342
   0.65255298  0.87896894  0.62865535
   0.87674102  0.90484553  0.74471911
   0.10177186  0.10983907  0.12562113
   0.36652171  0.21962843  0.28973261
   0.16572911  0.32909897 -0.00057064
   0.42560938  0.45582465  0.33382670
   0.55161855  0.34122469  0.17333220
   0.29600471  0.41381580  0.15153856
   0.20400648  0.13382527  0.43099789
  -0.04693118  0.22427821  0.39601964
  -0.00441142  0.02150411  0.53138729
   0.35668398  0.29075652  0.86600340
   0.05171486  0.28047365  0.56518010
   0.31356961  0.53658594  0.81089056
   0.49582576  0.34001301  0.72471821
   0.20372937  0.35785036  0.71165791
   0.22388498  0.08502257 -0.06281526
  -0.02604452  0.16907806  0.96398413
   0.20525228  0.59484029  0.02414376
   0.37306750  0.71297688  0.26272163
   0.17509611  0.86982375  0.05966159
   0.39250401  0.96183469  0.36974895
   0.44574078  0.93765330  0.17509891
   0.19784075  0.92521857  0.24656028
   0.28503150  0.63687235  0.43567367
   0.04169503  0.55206718  0.39748651
   0.31136634  0.36649118  0.53268733
   0.34941556  0.78737537  0.71535145
   0.07330838  0.77554310  0.49700997
   0.34169013  1.06512819  0.75609464
   0.50738191  0.96956145  0.61249609
   0.23936660  0.95629005  0.59383783
   0.24384400  0.78801021 -0.11639554
  -0.01370557  0.74387053  0.94146674
   0.64942636  0.05354172  0.07722237
   0.84004860  0.25435990  0.22180017
   0.58786387  0.30731043 -0.01831128
   0.86200668  0.50876133  0.26570974
   0.00925273  0.46063206  0.11492815
   0.77029434  0.43352994  0.09490148
   0.69238044  0.23045064  0.37443632
   0.47234242  0.16546843  0.47108406
   0.71114815  0.07310532  0.51589659
   0.90600632  0.27183412  0.78984331
   0.64249772  0.33529903  0.56958090
   0.92475362  0.52385495  0.85957887
   1.12624662  0.55487300  0.58985515
   0.78751472  0.48478978  0.68908149
   0.74052643  0.12705595  0.89949086
   0.50600183  0.05367579  0.90020652
   0.52242775  0.54160208  0.03408217
   0.85115728  0.74711370  0.32757523
   0.54998579  0.80233613  0.03582187
   0.84652074  1.00241285  0.31847707
   0.95947983  0.88260122  0.16986737
   0.69249822  0.84808827  0.19668271
   0.79452628  0.57519881  0.45822054
   0.55880499  0.67856796  0.38078313
   0.57137406  0.58535614  0.56367713
   0.80073744  0.77535893  0.79519912
   0.69229670  0.80827797  0.52249049
   0.94428078  0.99721694  0.82461451
   1.01265631  0.86254035  0.68316718
   0.75882949  0.98917846  0.68167641
   0.73541395  0.65437272  0.95739148
   0.49723578  0.68619275  0.86509004
   0.64074861  0.76837430  0.69657791
   0.79903164  1.08831412  0.52496728
   1.06156659  0.38115230  0.24376233
   1.17626296  1.34927230  0.33482041
   0.16154464  0.32400035  0.34494093
   0.39703848  0.15393857  0.03798763
   0.28188687  1.31297510 -0.07583292
  -0.15516830  1.42942822  0.05445989
   0.69533208  0.39708884  0.84004392
   0.55814869  0.55679042  0.71566117
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801317    0.287614    0.012237
    -0.000000    9.773548    0.100161
    -0.000000    0.000000   13.804086
   Si   O    H 
    32    64    10
Direct configuration=  3878
   0.11900877  0.16191128  0.01276084
   0.35500549  0.13129119  0.39451320
   0.17248962  0.45941085  0.07771767
   0.41499536  0.35674670  0.23866144
   0.05885577  0.16217595  0.48362261
   0.35706943  0.11160883  0.86777086
   0.18493561  0.39212194  0.59105094
   0.34436881  0.38240626  0.76355651
   0.14816310  0.74976416 -0.01836208
   0.40375425  0.61650438  0.35789137
   0.10567157  0.94782182  0.15007318
   0.35673621  0.88185581  0.26528487
   0.13513511  0.62517948  0.48353063
   0.35101357  0.70131821  0.81497912
   0.08925787  0.89705369  0.58350893
   0.36076267  0.94380661  0.67055138
   0.61074830  0.14079523  0.97633352
   0.83349810  0.16824150  0.32713314
   0.61617395  0.40577363  0.07325380
   0.93996742  0.38839715  0.21213052
   0.62849681  0.21805156  0.49181156
   0.89314764  0.14419976  0.86145161
   0.61110409  0.45542145  0.65276531
   0.82781449  0.42560381  0.79570815
   0.57311771  0.66777160 -0.02932460
   0.89085631  0.59235886  0.36221418
   0.58377056  0.91250503  0.11891710
   0.83624066  0.87372628  0.25017520
   0.65242685  0.66071106  0.47964466
   0.85960630  0.67946311  0.88504681
   0.65198766  0.87896542  0.62888472
   0.87571049  0.90460911  0.74450789
   0.10192632  0.10961100  0.12413687
   0.36831110  0.21907894  0.29013885
   0.16363800  0.32944097 -0.00076501
   0.42567009  0.45546358  0.33373383
   0.55247031  0.33865085  0.17090327
   0.29423148  0.41358775  0.15081481
   0.20413421  0.13161431  0.43134834
  -0.04757485  0.22394167  0.39598583
  -0.00242826  0.02207036  0.53189311
   0.35572610  0.29085526  0.86605765
   0.05340691  0.27858396  0.56433671
   0.31619577  0.53733710  0.81045968
   0.49695699  0.34180774  0.72618541
   0.20443152  0.35712305  0.71220410
   0.22344162  0.08452139 -0.06286420
  -0.02622655  0.16929723  0.96264658
   0.20498780  0.59650469  0.02379656
   0.37180765  0.71258365  0.26328737
   0.17455221  0.87142595  0.05964407
   0.39095400  0.96409459  0.37015506
   0.44566404  0.93820077  0.17737679
   0.19703170  0.92521828  0.24665895
   0.28558818  0.63636660  0.43571535
   0.04066590  0.55362853  0.39758623
   0.31252072  0.36750211  0.53232434
   0.35087411  0.78925205  0.71428684
   0.07474366  0.77551461  0.49823703
   0.34188427  1.06569802  0.75646735
   0.50863818  0.96834776  0.61225119
   0.23874908  0.95608535  0.59328624
   0.24276242  0.78943585 -0.11686866
  -0.01317264  0.74023593  0.94144485
   0.64913749  0.05509312  0.07494088
   0.84097702  0.25485075  0.22017577
   0.58736856  0.30572998 -0.01833433
   0.86058560  0.50851242  0.26530608
   0.00982127  0.46024948  0.11536980
   0.77028312  0.43247938  0.09569364
   0.69348941  0.23147400  0.37386626
   0.47266942  0.16443411  0.47227744
   0.70997371  0.07251654  0.51523926
   0.90392248  0.27146805  0.78877264
   0.64207131  0.33562553  0.56951795
   0.92348361  0.52402510  0.85989416
   1.12596068  0.55343677  0.59017315
   0.78604687  0.48392078  0.69056088
   0.73840498  0.12624933  0.89990157
   0.50792717  0.05436023  0.90055377
   0.52154754  0.53991099  0.03373321
   0.85264721  0.74876540  0.32720329
   0.55022405  0.80274351  0.03445858
   0.84820123  1.00374625  0.31902439
   0.95957801  0.88224197  0.16874555
   0.69236127  0.84820797  0.19728411
   0.79273173  0.57536948  0.45780717
   0.55912120  0.67627543  0.37982071
   0.57045689  0.58517661  0.56179326
   0.80074809  0.77608143  0.79470024
   0.69475151  0.80530559  0.52412117
   0.94440157  0.99799807  0.82416775
   1.01374038  0.86203405  0.68327333
   0.75881698  0.98911225  0.68198440
   0.73624877  0.65438003  0.95862786
   0.49653349  0.68664261  0.86482341
   0.64113800  0.76469498  0.69822663
   0.81550084  1.09028242  0.53010549
   1.06699403  0.36897237  0.24681302
   1.34082411  1.62877563  0.21808659
   0.00723973  0.03856265  0.46923798
   0.40081780  0.14773561  0.03337718
   0.27827291  1.31366506 -0.07493862
  -0.14990489  1.42473193  0.05453605
   0.69361850  0.39694262  0.84026709
   0.55695299  0.55710316  0.72047123
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.801889    0.286595    0.011090
    -0.000000    9.774105    0.099616
    -0.000000    0.000000   13.806161
   Si   O    H 
    32    64    10
Direct configuration=  3879
   0.11767723  0.16332564  0.01326384
   0.35549804  0.13054626  0.39489197
   0.17127349  0.45948877  0.07760357
   0.41345508  0.35626336  0.24052548
   0.05985696  0.16327693  0.48358960
   0.35591167  0.11251628  0.86712524
   0.18505642  0.39148851  0.59170812
   0.34528312  0.38220325  0.76348385
   0.14727121  0.74942473 -0.01837269
   0.40341801  0.61633458  0.35829885
   0.10557630  0.94887211  0.15056911
   0.35674909  0.88168218  0.26562258
   0.13595476  0.62673643  0.48375303
   0.34999350  0.70179344  0.81571292
   0.08792682  0.89904229  0.58424086
   0.35967681  0.94393139  0.67140693
   0.61065306  0.14114530  0.97579729
   0.83314991  0.16833693  0.32692527
   0.61636389  0.40579944  0.07379136
   0.94013969  0.38716281  0.21207523
   0.62907467  0.21736054  0.49054356
   0.89318681  0.14373860  0.86136997
   0.61069600  0.45544124  0.65142558
   0.82728099  0.42539318  0.79523057
   0.57398395  0.66789580 -0.02923627
   0.89029238  0.59175446  0.36212295
   0.58379223  0.91235633  0.11949167
   0.83785568  0.87445891  0.25072161
   0.65264409  0.66207001  0.48101844
   0.85998303  0.67919932  0.88556437
   0.65109564  0.87885684  0.62902777
   0.87445919  0.90442138  0.74459087
   0.10200874  0.10893805  0.12258622
   0.36886442  0.21848710  0.29074222
   0.16236875  0.32987070 -0.00099744
   0.42596601  0.45483136  0.33289689
   0.55343852  0.33668646  0.16887237
   0.29287725  0.41321090  0.15005697
   0.20302903  0.12996146  0.43103422
  -0.04783190  0.22375427  0.39647288
  -0.00048591  0.02182046  0.53374325
   0.35351595  0.29088477  0.86634654
   0.05493079  0.27683135  0.56315653
   0.31841118  0.53800011  0.81048888
   0.49826248  0.34362646  0.72741027
   0.20506688  0.35639445  0.71260766
   0.22348499  0.08403359 -0.06313828
  -0.02595863  0.16868226  0.96118461
   0.20463782  0.59884706  0.02371411
   0.36941879  0.71208606  0.26325896
   0.17458161  0.87194769  0.05914998
   0.38883144  0.96524725  0.37004991
   0.44507313  0.93751495  0.17946751
   0.19653694  0.92462715  0.24692317
   0.28574120  0.63645509  0.43540816
   0.04132625  0.55528295  0.39827797
   0.31330211  0.36804917  0.53196084
   0.35189084  0.79062132  0.71335118
   0.07496136  0.77619093  0.49977218
   0.34174422  1.06711423  0.75596200
   0.50935159  0.96709907  0.61263041
   0.23813195  0.95591102  0.59190608
   0.24169580  0.79101716 -0.11676572
  -0.01297822  0.73752286  0.94139234
   0.64954158  0.05630466  0.07282324
   0.84199883  0.25542838  0.21844894
   0.58768146  0.30471237 -0.01821010
   0.85978881  0.50812340  0.26575894
   0.01005372  0.45956361  0.11619080
   0.77078679  0.43123657  0.09682299
   0.69420481  0.23223968  0.37370244
   0.47255963  0.16382793  0.47298566
   0.71025628  0.07189072  0.51461934
   0.90185328  0.27109921  0.78752750
   0.64140962  0.33511608  0.56979974
   0.92286376  0.52447968  0.86006925
   1.12515301  0.55199534  0.59070551
   0.78429421  0.48287347  0.69235374
   0.73652387  0.12574145  0.90091117
   0.50919234  0.05579946  0.90116434
   0.52063515  0.53728140  0.03286588
   0.85340441  0.74998581  0.32682035
   0.55007654  0.80310682  0.03374729
   0.84970933  1.00508115  0.31915783
   0.96048010  0.88230104  0.16745569
   0.69138277  0.84851446  0.19801363
   0.79052754  0.57534301  0.45693564
   0.55975232  0.67407940  0.37927408
   0.56973569  0.58535629  0.56006993
   0.80137060  0.77699079  0.79382187
   0.69700255  0.80289768  0.52590844
   0.94471084  0.99892613  0.82361412
   1.01393702  0.86162730  0.68318410
   0.75952729  0.98861321  0.68198499
   0.73691279  0.65452700  0.95991308
   0.49616535  0.68665557  0.86476422
   0.64108393  0.76188646  0.70019808
   0.81210637  1.09165459  0.53702959
   1.08371123  0.35221694  0.25636623
   1.49172359  1.88814872  0.11216864
  -0.14303559 -0.24685697  0.54579464
   0.40536601  0.14334758  0.02498701
   0.27756506  1.31699461 -0.07600158
  -0.14624088  1.42352111  0.05329748
   0.68847940  0.39463315  0.84214714
   0.55496866  0.56064495  0.72937771
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.802711    0.286764    0.009822
    -0.000000    9.775687    0.097823
    -0.000000    0.000000   13.808458
   Si   O    H 
    32    64    10
Direct configuration=  3880
   0.11693431  0.16550501  0.01328676
   0.35556216  0.12919282  0.39545694
   0.17037266  0.45918729  0.07727711
   0.41249967  0.35547490  0.24184059
   0.06048622  0.16554056  0.48327411
   0.35490927  0.11272563  0.86654588
   0.18456355  0.39068016  0.59256407
   0.34674098  0.38267632  0.76346061
   0.14689311  0.74945908 -0.01860629
   0.40319928  0.61621055  0.35887275
   0.10551100  0.94900634  0.15130390
   0.35642044  0.88134703  0.26663776
   0.13657091  0.62804594  0.48416966
   0.34848113  0.70197503  0.81598294
   0.08729390  0.90074128  0.58458903
   0.35815868  0.94409798  0.67225190
   0.61091017  0.14190155  0.97525656
   0.83264645  0.16866932  0.32661265
   0.61593837  0.40577326  0.07402102
   0.94012319  0.38583278  0.21186316
   0.62884944  0.21597454  0.48961366
   0.89321317  0.14334400  0.86147151
   0.61013132  0.45513362  0.65017627
   0.82722768  0.42530740  0.79454015
   0.57513326  0.66791372 -0.02909532
   0.88981284  0.59116687  0.36171762
   0.58765797  0.91291396  0.11995082
   0.83956566  0.87511526  0.25086165
   0.65235868  0.66321249  0.48167172
   0.86061012  0.67847123  0.88584184
   0.65041069  0.87905622  0.62932990
   0.87358784  0.90472789  0.74476235
   0.10118076  0.10931994  0.12087902
   0.36904706  0.21758626  0.29145913
   0.16177204  0.32935711 -0.00117982
   0.42510802  0.45453268  0.33177108
   0.55405538  0.33501851  0.16790941
   0.29186924  0.41287707  0.14923612
   0.20129404  0.12856650  0.43100987
  -0.04719488  0.22286988  0.39683721
   0.00193734  0.02190050  0.53450381
   0.35134505  0.29095558  0.86696588
   0.05692745  0.27609022  0.56253996
   0.32068321  0.53817555  0.81055670
   0.49970471  0.34563152  0.72813762
   0.20470345  0.35611211  0.71260236
   0.22299156  0.08391454 -0.06310782
  -0.02630034  0.16798989  0.95992882
   0.20434565  0.60192683  0.02352062
   0.36647643  0.71292839  0.26297251
   0.17480780  0.87221889  0.05859722
   0.38693707  0.96721150  0.36935856
   0.44523480  0.93789099  0.18148255
   0.19556915  0.92388192  0.24733036
   0.28619173  0.63590948  0.43517197
   0.04250551  0.55662911  0.39847551
   0.31401317  0.36904348  0.53190367
   0.35211634  0.79122262  0.71256037
   0.07492367  0.77729402  0.50130437
   0.34045285  1.06819574  0.75535713
   0.50962346  0.96492569  0.61294798
   0.23777448  0.95526225  0.59092482
   0.24118952  0.79228871 -0.11651714
  -0.01193599  0.73501625  0.94162348
   0.64922326  0.05683298  0.07129666
   0.84264114  0.25610430  0.21683858
   0.58800659  0.30433939 -0.01784447
   0.85900432  0.50856265  0.26620408
   0.00998330  0.45917588  0.11727355
   0.77298160  0.43104492  0.09749474
   0.69483059  0.23295853  0.37315745
   0.47257234  0.16457734  0.47329469
   0.71160236  0.07158482  0.51436199
   0.90009677  0.27040598  0.78690236
   0.64123824  0.33375693  0.56978620
   0.92161369  0.52488009  0.85935338
   1.12424536  0.55179728  0.59093338
   0.78260177  0.48176409  0.69317161
   0.73516035  0.12540081  0.90250219
   0.51034822  0.05756795  0.90169094
   0.52043559  0.53492964  0.03192136
   0.85463501  0.75056492  0.32704240
   0.54959586  0.80411682  0.03291934
   0.85144595  1.00661519  0.31888273
   0.96029622  0.88193884  0.16623031
   0.69083556  0.84917790  0.19808258
   0.78856425  0.57513331  0.45539391
   0.56070212  0.67257144  0.37950407
   0.56929782  0.58487348  0.55857187
   0.80228640  0.77695553  0.79360400
   0.69928842  0.80122753  0.52736349
   0.94537545  0.99988654  0.82296943
   1.01373847  0.86066155  0.68311066
   0.76064418  0.98765687  0.68188575
   0.73833650  0.65577678  0.96145691
   0.49654908  0.68684942  0.86547322
   0.63698690  0.76286824  0.69738915
   0.79764049  1.08876929  0.54094633
   1.09737570  0.33769089  0.26834511
   1.53317293  2.09025680  0.00958904
  -0.28501268 -0.49905048  0.61395427
   0.40994517  0.14169694  0.01842054
   0.27668797  1.31954952 -0.07785840
  -0.14968606  1.42638904  0.05420397
   0.68516312  0.39365591  0.84316178
   0.55728597  0.56306832  0.73529588
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.803790    0.287631    0.007714
    -0.000000    9.778092    0.095791
    -0.000000    0.000000   13.810082
   Si   O    H 
    32    64    10
Direct configuration=  3881
   0.11658860  0.16706509  0.01368566
   0.35586645  0.12793432  0.39588060
   0.16960413  0.45960087  0.07669738
   0.41210312  0.35505024  0.24258322
   0.06098131  0.16726931  0.48282006
   0.35358567  0.11280857  0.86637060
   0.18394842  0.38955916  0.59282496
   0.34819298  0.38389069  0.76336688
   0.14642993  0.74955373 -0.01898420
   0.40357103  0.61558250  0.35896570
   0.10488529  0.94838557  0.15202597
   0.35587392  0.88161768  0.26790798
   0.13725670  0.62911444  0.48457207
   0.34648947  0.70186690  0.81615518
   0.08574031  0.90136248  0.58490012
   0.35686233  0.94432662  0.67292806
   0.61191320  0.14466092  0.97362545
   0.83292224  0.16953229  0.32580297
   0.61544893  0.40548199  0.07424708
   0.94044440  0.38489677  0.21152913
   0.62832253  0.21450407  0.48826174
   0.89342653  0.14302225  0.86131498
   0.60776165  0.45452684  0.64932318
   0.82707162  0.42440041  0.79430247
   0.57587754  0.66803049 -0.02880551
   0.88930339  0.59109357  0.36120287
   0.59053137  0.91382740  0.12034250
   0.84109973  0.87549388  0.25115055
   0.65191273  0.66434209  0.48209497
   0.86115455  0.67828729  0.88624438
   0.64934232  0.87952285  0.62915710
   0.87243618  0.90502395  0.74510084
   0.10031278  0.10951810  0.11902552
   0.36898254  0.21722562  0.29230164
   0.16311585  0.32856355 -0.00090183
   0.42442028  0.45446694  0.33116297
   0.55416595  0.33346205  0.16795681
   0.29135616  0.41260564  0.14846433
   0.19913004  0.12730005  0.43117467
  -0.04625557  0.22181832  0.39736467
   0.00368445  0.02263285  0.53474183
   0.34876864  0.29138539  0.86792787
   0.05877621  0.27642947  0.56258644
   0.32236872  0.53860538  0.81050139
   0.50175845  0.34807427  0.72906694
   0.20374417  0.35564879  0.71195883
   0.22243205  0.08437699 -0.06347546
  -0.02696481  0.16637618  0.95869016
   0.20376544  0.60495207  0.02356872
   0.36379359  0.71363555  0.26293508
   0.17498170  0.87210765  0.05834838
   0.38588105  0.96877393  0.36879468
   0.44589132  0.93844667  0.18297681
   0.19528310  0.92291223  0.24763698
   0.28698539  0.63608161  0.43593310
   0.04350474  0.55797766  0.39871986
   0.31488116  0.37074340  0.53259625
   0.35190708  0.79195735  0.71232153
   0.07437764  0.77851735  0.50327389
   0.33855966  1.06943116  0.75425897
   0.50849065  0.96329905  0.61346483
   0.23855388  0.95479107  0.59058955
   0.24015245  0.79309710 -0.11595409
  -0.01075896  0.73364578  0.94221401
   0.64927779  0.05671116  0.06986393
   0.84348250  0.25653714  0.21546942
   0.58912173  0.30315514 -0.01721024
   0.85783698  0.50903235  0.26605789
   0.01068618  0.45792889  0.11796328
   0.77549030  0.43142133  0.09812900
   0.69469001  0.23349040  0.37283121
   0.47278186  0.16456637  0.47365213
   0.71193286  0.07099783  0.51391132
   0.89839590  0.27030825  0.78593319
   0.64147268  0.33220685  0.56939316
   0.92038171  0.52559149  0.85875364
   1.12222773  0.55109291  0.59097639
   0.78141438  0.48127573  0.69398645
   0.73542399  0.12429119  0.90387126
   0.51093401  0.05868808  0.90153170
   0.52028900  0.53311574  0.03051445
   0.85507672  0.75128503  0.32674710
   0.54802740  0.80549541  0.03215692
   0.85294220  1.00771183  0.31853952
   0.95913725  0.88176929  0.16492213
   0.69070568  0.85028236  0.19871879
   0.78660939  0.57425825  0.45338516
   0.56186856  0.67045860  0.38025075
   0.56918818  0.58375578  0.55752946
   0.80338264  0.77598725  0.79401480
   0.70165777  0.79982251  0.52884905
   0.94537874  1.00037729  0.82201467
   1.01328492  0.85895856  0.68271124
   0.76174153  0.98618105  0.68162010
   0.73863547  0.65717564  0.96248667
   0.49699600  0.68750572  0.86699482
   0.63406248  0.76170000  0.69392187
   0.79176325  1.08644606  0.54702253
   1.09885813  0.33104093  0.27635730
   1.50627937  2.23753547 -0.05310163
  -0.37965649 -0.71363936  0.66727713
   0.42001514  0.14316628  0.01182178
   0.28330096  1.31751606 -0.07996099
  -0.15361210  1.42981137  0.05544873
   0.69099213  0.39136815  0.84439633
   0.56408174  0.56177362  0.73948728
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804360    0.288988    0.005249
    -0.000000    9.781319    0.093314
    -0.000000    0.000000   13.811737
   Si   O    H 
    32    64    10
Direct configuration=  3882
   0.11633218  0.16912613  0.01391102
   0.35644348  0.12664675  0.39593706
   0.16936168  0.45959833  0.07645940
   0.41133464  0.35477999  0.24281865
   0.06107083  0.16864769  0.48224209
   0.35215436  0.11271733  0.86609983
   0.18290392  0.38891364  0.59269476
   0.34961484  0.38530496  0.76286164
   0.14628500  0.75011474 -0.01940931
   0.40437252  0.61568376  0.35924719
   0.10412022  0.94787217  0.15224658
   0.35468864  0.88153148  0.26958652
   0.13838882  0.62994284  0.48496484
   0.34518901  0.70157636  0.81603024
   0.08401705  0.90170931  0.58559626
   0.35619309  0.94422242  0.67326609
   0.61308270  0.14635145  0.97214645
   0.83329348  0.17048726  0.32489573
   0.61548999  0.40566224  0.07417416
   0.94126562  0.38423106  0.21136773
   0.62792933  0.21285322  0.48643845
   0.89300741  0.14207853  0.86127063
   0.60585799  0.45485669  0.64851101
   0.82654371  0.42334406  0.79430217
   0.57609515  0.66825989 -0.02858138
   0.88861187  0.59062450  0.36131854
   0.59280777  0.91449345  0.12072512
   0.84260293  0.87585497  0.25104820
   0.65172943  0.66521811  0.48205849
   0.86086952  0.67844370  0.88671620
   0.64907515  0.87994852  0.62841661
   0.87235630  0.90548901  0.74523251
   0.09936070  0.11061826  0.11737196
   0.36801024  0.21761122  0.29265636
   0.16442523  0.32762768 -0.00120507
   0.42418747  0.45528474  0.33053567
   0.55426885  0.33224006  0.16849664
   0.29115653  0.41303825  0.14812781
   0.19737292  0.12649151  0.43124320
  -0.04582734  0.22075388  0.39773948
   0.00496835  0.02431723  0.53436319
   0.34616333  0.29150881  0.86898837
   0.06060625  0.27738445  0.56271506
   0.32300598  0.53871668  0.81003375
   0.50336404  0.34983974  0.72963834
   0.20354687  0.35509570  0.71090779
   0.22229351  0.08524881 -0.06444534
  -0.02780538  0.16459780  0.95772905
   0.20306018  0.60803701  0.02352122
   0.36164265  0.71496424  0.26303785
   0.17463470  0.87191660  0.05869927
   0.38521099  0.97046322  0.36786670
   0.44740866  0.93918214  0.18422458
   0.19484121  0.92238546  0.24794940
   0.28696633  0.63642926  0.43718705
   0.04353343  0.55864347  0.39925485
   0.31609944  0.37244007  0.53301560
   0.35168754  0.79176109  0.71276397
   0.07477596  0.77941570  0.50485050
   0.33652890  1.07118536  0.75344438
   0.50620945  0.96151229  0.61444312
   0.23923078  0.95491789  0.59072764
   0.23906614  0.79353144 -0.11542731
  -0.00960880  0.73250840  0.94327692
   0.64983402  0.05579611  0.06926586
   0.84482531  0.25625950  0.21424507
   0.59044063  0.30261973 -0.01680683
   0.85586585  0.50882134  0.26583193
   0.01250412  0.45622298  0.11820859
   0.77697774  0.43208431  0.09857405
   0.69423878  0.23429542  0.37292213
   0.47340325  0.16513529  0.47406048
   0.71181854  0.07119075  0.51345280
   0.89717039  0.27019924  0.78542895
   0.64186900  0.33018204  0.56960864
   0.91964085  0.52647551  0.85748658
   1.12077561  0.55092365  0.59042597
   0.78112754  0.48069931  0.69455198
   0.73644417  0.12321616  0.90460740
   0.51032562  0.05932067  0.90179214
   0.52059034  0.53172481  0.02939324
   0.85543696  0.75263742  0.32642205
   0.54664255  0.80734909  0.03220100
   0.85498441  1.00952455  0.31820530
   0.95689912  0.88195041  0.16372230
   0.69164294  0.85074902  0.20012314
   0.78471847  0.57273127  0.45144048
   0.56187955  0.66841685  0.38098164
   0.56912983  0.58203307  0.55790171
   0.80491280  0.77482617  0.79419324
   0.70360767  0.79896287  0.53083065
   0.94600440  1.00060801  0.82147687
   1.01372674  0.85705722  0.68309656
   0.76235478  0.98490187  0.68087945
   0.73808208  0.65873025  0.96335594
   0.49797270  0.68810505  0.86843118
   0.63104323  0.76240249  0.69136554
   0.79627432  1.08698517  0.55570163
   1.08874768  0.32723299  0.27879845
   1.46844305  2.39111967 -0.10658581
  -0.47019903 -0.90930929  0.71244546
   0.43271312  0.14721475  0.00554585
   0.28408534  1.31759669 -0.08150475
  -0.14758442  1.43348896  0.05155938
   0.70302695  0.38704237  0.84715871
   0.57206954  0.55522098  0.73859218
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.804925    0.290370    0.002533
    -0.000000    9.785207    0.090004
    -0.000000    0.000000   13.813743
   Si   O    H 
    32    64    10
Direct configuration=  3883
   0.11691071  0.17102277  0.01388870
   0.35707679  0.12576674  0.39596352
   0.16948910  0.45978872  0.07607987
   0.41026866  0.35437946  0.24284626
   0.06102062  0.17005546  0.48151504
   0.35110657  0.11170737  0.86597126
   0.18185385  0.38751432  0.59214863
   0.35019779  0.38703050  0.76265192
   0.14593736  0.75122085 -0.01974693
   0.40579780  0.61601035  0.35991534
   0.10312306  0.94648053  0.15234536
   0.35357876  0.88170923  0.27148735
   0.13815359  0.63094456  0.48516170
   0.34432525  0.70196829  0.81559817
   0.08319909  0.90165283  0.58585481
   0.35573924  0.94477152  0.67375188
   0.61376473  0.14664995  0.97073405
   0.83381654  0.17208717  0.32438389
   0.61550279  0.40548577  0.07409558
   0.94222149  0.38346019  0.21190721
   0.62777110  0.21136933  0.48446264
   0.89177982  0.14085997  0.86158935
   0.60420123  0.45552088  0.64815044
   0.82565070  0.42204429  0.79484780
   0.57607895  0.66838683 -0.02858266
   0.88773023  0.59043510  0.36145422
   0.59476210  0.91612476  0.12085178
   0.84391720  0.87631344  0.25059072
   0.65190830  0.66584039  0.48206623
   0.86118652  0.67840637  0.88759691
   0.64935743  0.88039201  0.62776238
   0.87245444  0.90510811  0.74545776
   0.09708735  0.11166024  0.11626527
   0.36675919  0.21789486  0.29314344
   0.16488369  0.32751948 -0.00153521
   0.42442424  0.45688228  0.33031244
   0.55332486  0.33083032  0.16887966
   0.29152032  0.41293625  0.14846704
   0.19641917  0.12529383  0.43107703
  -0.04489050  0.22023793  0.39779913
   0.00536465  0.02650267  0.53407950
   0.34441320  0.29109774  0.86931849
   0.06213035  0.27888926  0.56296195
   0.32235232  0.53896644  0.80952461
   0.50473286  0.34999133  0.72944446
   0.20407446  0.35462035  0.70985908
   0.22216156  0.08617402 -0.06522937
  -0.02859420  0.16295962  0.95737342
   0.20233520  0.61053915  0.02336091
   0.35966550  0.71617572  0.26389448
   0.17432566  0.87174480  0.05926576
   0.38551221  0.97155524  0.36627009
   0.44869887  0.93940111  0.18551653
   0.19476973  0.92149760  0.24846750
   0.28715751  0.63658783  0.43846309
   0.04338341  0.55949164  0.39965088
   0.31702483  0.37378511  0.53291436
   0.35112966  0.79112372  0.71356489
   0.07517973  0.78067632  0.50663108
   0.33467326  1.07202936  0.75224493
   0.50345258  0.95940824  0.61595426
   0.24037221  0.95529549  0.59065655
   0.23718020  0.79406912 -0.11540387
  -0.00850233  0.73193047  0.94412392
   0.65039421  0.05455262  0.06887054
   0.84503627  0.25545379  0.21359852
   0.59213152  0.30241055 -0.01675006
   0.85421754  0.50819928  0.26549460
   0.01392057  0.45473193  0.11854508
   0.77803438  0.43209798  0.09904350
   0.69423185  0.23482351  0.37267974
   0.47413725  0.16614252  0.47436725
   0.71286581  0.07153662  0.51362566
   0.89609623  0.27033108  0.78533280
   0.64216066  0.32809679  0.56967106
   0.91902069  0.52719657  0.85659987
   1.11872684  0.55004679  0.58980278
   0.77974064  0.48031301  0.69482311
   0.73798897  0.12198363  0.90485236
   0.50893566  0.05971002  0.90198326
   0.52071861  0.53013123  0.02834980
   0.85531971  0.75467122  0.32649357
   0.54606843  0.80882667  0.03244659
   0.85662762  1.01026404  0.31743191
   0.95460202  0.88200405  0.16269490
   0.69328645  0.85156355  0.20164494
   0.78339543  0.57190881  0.44962448
   0.56205533  0.66728084  0.38123285
   0.56887890  0.58013575  0.55839978
   0.80646634  0.77335946  0.79464434
   0.70595781  0.79861877  0.53243338
   0.94721836  1.00103191  0.82078334
   1.01338885  0.85492057  0.68429298
   0.76241450  0.98385418  0.68001521
   0.73747320  0.66030400  0.96380487
   0.49895368  0.68832974  0.86971404
   0.63031054  0.76548481  0.68978577
   0.79884694  1.08825786  0.56059980
   1.06700215  0.33371977  0.27635816
   1.44594655  2.52954126 -0.15189434
  -0.55330807 -1.08567043  0.75066511
   0.43933004  0.15349438  0.00229085
   0.27498472  1.32079085 -0.07844559
  -0.14463102  1.43607816  0.04743464
   0.70992040  0.38656178  0.84828159
   0.57874906  0.54883698  0.73192220
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.805599    0.291830    0.000264
    -0.000000    9.789997    0.087099
    -0.000000    0.000000   13.815326
   Si   O    H 
    32    64    10
Direct configuration=  3884
   0.11764755  0.17293747  0.01303841
   0.35813813  0.12498373  0.39648949
   0.16969678  0.45995572  0.07570660
   0.40898745  0.35420072  0.24268893
   0.06045816  0.17124502  0.48032298
   0.35078853  0.11051683  0.86610789
   0.18079628  0.38681528  0.59154671
   0.35100174  0.38779514  0.76184393
   0.14504222  0.75224493 -0.02026699
   0.40688498  0.61679174  0.36061674
   0.10225395  0.94535543  0.15252284
   0.35306512  0.88247570  0.27322233
   0.13824135  0.63204091  0.48591011
   0.34318691  0.70382734  0.81528847
   0.08188019  0.90189106  0.58609260
   0.35496322  0.94465562  0.67357362
   0.61510420  0.14629003  0.96971527
   0.83420674  0.17398917  0.32374074
   0.61557524  0.40546796  0.07406504
   0.94329005  0.38302823  0.21231386
   0.62777809  0.21044425  0.48272003
   0.88988913  0.14099184  0.86161600
   0.60313196  0.45619070  0.64804644
   0.82478574  0.41987840  0.79562313
   0.57660032  0.66851984 -0.02823515
   0.88703499  0.59055849  0.36160080
   0.59576509  0.91690164  0.12068156
   0.84454627  0.87594539  0.25038023
   0.65196491  0.66602419  0.48233040
   0.86110594  0.67823588  0.88883176
   0.64966794  0.88072089  0.62721958
   0.87261440  0.90440463  0.74604762
   0.09526171  0.11262752  0.11606773
   0.36530922  0.21786185  0.29336723
   0.16628701  0.32718722 -0.00220420
   0.42517050  0.45857843  0.32986368
   0.55209132  0.32907569  0.16933634
   0.29225191  0.41213355  0.14899372
   0.19578909  0.12443741  0.43038673
  -0.04383920  0.21989601  0.39755250
   0.00591072  0.02866266  0.53346771
   0.34346613  0.29072401  0.86949320
   0.06304662  0.28043736  0.56282180
   0.32159244  0.53934425  0.80908087
   0.50546142  0.34962856  0.72957119
   0.20465446  0.35452633  0.70914503
   0.22189358  0.08794513 -0.06583657
  -0.02943761  0.16191258  0.95792920
   0.20225349  0.61222175  0.02329887
   0.35777085  0.71700482  0.26488346
   0.17320351  0.87092124  0.06007365
   0.38621044  0.97177316  0.36483828
   0.45049390  0.94002901  0.18709451
   0.19467696  0.92105853  0.24895857
   0.28719670  0.63718319  0.44020547
   0.04332070  0.56049011  0.40020835
   0.31756048  0.37558992  0.53320197
   0.35018778  0.78939869  0.71526604
   0.07574548  0.78214288  0.50838882
   0.33296129  1.07345670  0.75061754
   0.50075309  0.95764392  0.61739885
   0.24240128  0.95547038  0.59135272
   0.23511799  0.79494760 -0.11571699
  -0.00764632  0.73150267  0.94462126
   0.65029135  0.05306955  0.06846519
   0.84491882  0.25336057  0.21259914
   0.59403323  0.30352014 -0.01729213
   0.85326686  0.50736821  0.26514221
   0.01563360  0.45378257  0.11884107
   0.77923101  0.43278805  0.09879500
   0.69419422  0.23577683  0.37298561
   0.47412514  0.16637879  0.47479308
   0.71379263  0.07146813  0.51416640
   0.89494530  0.27007265  0.78573235
   0.64239058  0.32597066  0.56954597
   0.91809776  0.52730890  0.85503636
   1.11688491  0.54890653  0.58958661
   0.77874171  0.48009202  0.69484465
   0.74100800  0.12141562  0.90497060
   0.50631059  0.05964994  0.90209389
   0.52090498  0.52858978  0.02670245
   0.85570171  0.75580454  0.32688850
   0.54546599  0.81040198  0.03276373
   0.85856018  1.01142194  0.31651058
   0.95191072  0.88225655  0.16174262
   0.69564277  0.85215278  0.20265337
   0.78289644  0.57121902  0.44817100
   0.56203170  0.66589175  0.38141740
   0.56870064  0.57847144  0.55930691
   0.80811920  0.77205279  0.79508958
   0.70733877  0.79957097  0.53404628
   0.94831723  1.00106887  0.82041816
   1.01317254  0.85268027  0.68521831
   0.76213298  0.98350256  0.67907516
   0.73800416  0.66224083  0.96414756
   0.49931885  0.68859017  0.87101172
   0.63323892  0.76862718  0.68872062
   0.79255972  1.08536899  0.55916110
   1.04607440  0.33839035  0.27162890
   1.42237810  2.64921426 -0.19255225
  -0.61203194 -1.24726783  0.79782952
   0.44397023  0.15980682 -0.00007757
   0.26446421  1.32406059 -0.07583264
  -0.15158578  1.43968981  0.05112143
   0.71154968  0.38817667  0.85300128
   0.58294895  0.54714415  0.72460348
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.807089    0.293390   -0.002153
    -0.000000    9.794871    0.083747
    -0.000000    0.000000   13.817197
   Si   O    H 
    32    64    10
Direct configuration=  3885
   0.11817906  0.17474721  0.01187926
   0.35851213  0.12441041  0.39742995
   0.17004645  0.46049384  0.07541002
   0.40791675  0.35457348  0.24207306
   0.05890953  0.17239685  0.47978660
   0.35062955  0.10975123  0.86652842
   0.18006001  0.38620737  0.59056878
   0.35239007  0.38842835  0.76108618
   0.14457710  0.75330951 -0.02069917
   0.40788230  0.61766370  0.36108808
   0.10144372  0.94438131  0.15258122
   0.35331886  0.88288632  0.27488180
   0.13762834  0.63306670  0.48659617
   0.33019524  0.69932870  0.81885661
   0.08069197  0.90180425  0.58617651
   0.35482299  0.94467915  0.67345954
   0.61577585  0.14589916  0.96907266
   0.83459453  0.17632947  0.32249242
   0.61567064  0.40479969  0.07372357
   0.94376584  0.38325293  0.21255348
   0.62754469  0.21033614  0.48122152
   0.88883598  0.14125314  0.86152815
   0.60239826  0.45663690  0.64743477
   0.82436088  0.41813389  0.79658196
   0.57690048  0.66921296 -0.02745712
   0.88682397  0.59096749  0.36185613
   0.59582357  0.91790122  0.12045923
   0.84458267  0.87527504  0.25022055
   0.65271281  0.66621038  0.48280200
   0.86114559  0.67770623  0.88969550
   0.65030402  0.88145277  0.62674958
   0.87326170  0.90358041  0.74638065
   0.09391708  0.11360295  0.11648487
   0.36397810  0.21737509  0.29361786
   0.16785122  0.32759231 -0.00285832
   0.42611690  0.46052166  0.32950578
   0.55080220  0.32785636  0.17041401
   0.29305549  0.41164939  0.14946796
   0.19708899  0.12339098  0.42948776
  -0.04339789  0.21988948  0.39763524
   0.00611704  0.03051753  0.53282259
   0.34230000  0.29024671  0.86968618
   0.06339555  0.28198590  0.56282664
   0.32124943  0.53988173  0.80851225
   0.50548114  0.34968343  0.72858435
   0.20655451  0.35434125  0.70867778
   0.22170113  0.08911239 -0.06586534
  -0.02973173  0.16156455  0.95894030
   0.20262167  0.61267851  0.02334215
   0.35591782  0.71736579  0.26597362
   0.17214099  0.86993041  0.06088022
   0.38829340  0.97110874  0.36373685
   0.45226031  0.94072742  0.18838961
   0.19461676  0.92093882  0.24953184
   0.28813035  0.63719475  0.44159738
   0.04338239  0.56220987  0.40071023
   0.31848466  0.37673998  0.53318224
   0.34933895  0.78868038  0.71635104
   0.07533029  0.78328208  0.50986887
   0.33106779  1.07405938  0.74920851
   0.49818962  0.95651831  0.61891932
   0.24401978  0.95545695  0.59161614
   0.23310077  0.79546206 -0.11569142
  -0.00746421  0.73098611  0.94538779
   0.64981020  0.05208007  0.06825599
   0.84452975  0.25176441  0.21267860
   0.59585377  0.30465518 -0.01793640
   0.85251989  0.50672031  0.26488246
   0.01773314  0.45425168  0.11892223
   0.77946814  0.43422020  0.09896206
   0.69427493  0.23618065  0.37316507
   0.47299991  0.16620673  0.47525185
   0.71478340  0.07163504  0.51551573
   0.89356040  0.26909022  0.78628225
   0.64208462  0.32348302  0.56946749
   0.91727739  0.52761269  0.85379279
   1.11605536  0.54726741  0.58929227
   0.77715412  0.47920570  0.69450244
   0.74400006  0.12079246  0.90471908
   0.50350291  0.05948027  0.90152694
   0.52178922  0.52716968  0.02549069
   0.85698274  0.75710483  0.32717460
   0.54495705  0.81172221  0.03298842
   0.86015946  1.01278306  0.31529017
   0.94922570  0.88311970  0.16061082
   0.69805351  0.85255199  0.20319110
   0.78223151  0.57091861  0.44715915
   0.56210344  0.66498703  0.38213151
   0.56813021  0.57699220  0.56074621
   0.80943767  0.76960790  0.79583925
   0.70798005  0.80102825  0.53523581
   0.94891921  1.00071456  0.82050247
   1.01260705  0.85144354  0.68624556
   0.76190738  0.98352964  0.67857018
   0.73859502  0.66403590  0.96412617
   0.50046218  0.68897093  0.87274190
   0.63284050  0.76647440  0.69363481
   0.78604036  1.08033468  0.55651224
   1.03889039  0.34083484  0.27126420
   1.52224981  2.67843002 -0.24662514
  -0.43034183 -1.16030967  0.75281238
   0.44651136  0.16418108  0.00071577
   0.25656361  1.32919954 -0.07399908
  -0.15377334  1.44621393  0.05074959
   0.70785669  0.38890603  0.86160825
   0.57906463  0.55515251  0.72279228
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.809087    0.295374   -0.004855
    -0.000000    9.799464    0.079920
    -0.000000    0.000000   13.819047
   Si   O    H 
    32    64    10
Direct configuration=  3886
   0.11858408  0.17613508  0.01081309
   0.35833931  0.12384899  0.39868308
   0.17082970  0.46096854  0.07533117
   0.40674051  0.35482724  0.24103917
   0.05701405  0.17280141  0.47960905
   0.35034307  0.10906751  0.86666509
   0.17915244  0.38537249  0.58987335
   0.35294156  0.38896504  0.76012489
   0.14404298  0.75455866 -0.02076167
   0.40878383  0.61874616  0.36148133
   0.10094824  0.94381377  0.15288627
   0.35437815  0.88317163  0.27568706
   0.13652887  0.63355221  0.48724440
   0.31870523  0.69571324  0.82192550
   0.08034391  0.90195928  0.58606360
   0.35484402  0.94435076  0.67313213
   0.61557991  0.14509103  0.96903346
   0.83507788  0.17891760  0.32193841
   0.61550215  0.40427560  0.07319748
   0.94399488  0.38345615  0.21299208
   0.62767068  0.21067512  0.47972489
   0.88791731  0.14197640  0.86187142
   0.60237754  0.45679327  0.64640274
   0.82341566  0.41664192  0.79748979
   0.57696873  0.67000529 -0.02654829
   0.88698653  0.59116335  0.36207431
   0.59545880  0.91872629  0.12035244
   0.84429879  0.87478024  0.24994202
   0.65352501  0.66639809  0.48294205
   0.86171373  0.67652333  0.89035117
   0.65051866  0.88252293  0.62630892
   0.87446909  0.90342682  0.74677924
   0.09325980  0.11307067  0.11700690
   0.36241713  0.21616685  0.29437472
   0.16917611  0.32868986 -0.00405418
   0.42720689  0.46253060  0.32898439
   0.54965018  0.32726691  0.17201130
   0.29398701  0.41131726  0.15022509
   0.19936225  0.12262171  0.42877518
  -0.04397538  0.21936139  0.39721051
   0.00644810  0.03226718  0.53185452
   0.34066585  0.28989301  0.86936669
   0.06378676  0.28328922  0.56247986
   0.32148106  0.53940377  0.80763375
   0.50514743  0.34987908  0.72792602
   0.20884061  0.35425574  0.70863710
   0.22202722  0.08997711 -0.06577580
  -0.03027883  0.16113883  0.96077625
   0.20305069  0.61248976  0.02329273
   0.35464277  0.71777612  0.26721919
   0.17089314  0.86851200  0.06142395
   0.39012737  0.96979399  0.36266066
   0.45409430  0.94236589  0.18943177
   0.19347225  0.92063352  0.25007328
   0.28848333  0.63685453  0.44302602
   0.04315861  0.56340873  0.40136312
   0.31883044  0.37728719  0.53374694
   0.34745021  0.78807712  0.71801827
   0.07484902  0.78425315  0.51096927
   0.32980098  1.07398788  0.74842661
   0.49656059  0.95521964  0.61992088
   0.24466977  0.95519182  0.59172652
   0.23145081  0.79442443 -0.11633890
  -0.00746560  0.73120571  0.94579509
   0.64924376  0.05176524  0.06844899
   0.84365675  0.24984265  0.21359525
   0.59690197  0.30660950 -0.01916530
   0.85207768  0.50595058  0.26434114
   0.02004698  0.45527900  0.11868201
   0.77911076  0.43641441  0.09834324
   0.69453621  0.23657347  0.37353181
   0.47256839  0.16611546  0.47578269
   0.71522298  0.07225536  0.51586070
   0.89263439  0.26830586  0.78645353
   0.64137095  0.32158819  0.56979454
   0.91661662  0.52694287  0.85287089
   1.11516134  0.54612022  0.58885613
   0.77470935  0.47838766  0.69434285
   0.74606814  0.11983202  0.90444806
   0.50032211  0.05908148  0.90061032
   0.52266390  0.52731644  0.02448192
   0.85771937  0.75807720  0.32774604
   0.54488759  0.81305264  0.03354800
   0.86198646  1.01479822  0.31398982
   0.94751334  0.88365931  0.15953104
   0.69995463  0.85274208  0.20309292
   0.78194663  0.57138993  0.44643462
   0.56105892  0.66410304  0.38266616
   0.56782793  0.57565384  0.56238998
   0.80998162  0.76736635  0.79632177
   0.70838881  0.80221642  0.53594396
   0.94945481  0.99989010  0.82129240
   1.01249402  0.85014423  0.68716487
   0.76213470  0.98382907  0.67808809
   0.73915832  0.66566932  0.96452727
   0.50001613  0.68907814  0.87387091
   0.62985100  0.76283842  0.70384951
   0.79737791  1.07557447  0.55677325
   1.04916948  0.34238814  0.27768776
   1.61784837  2.69714620 -0.29436920
  -0.26573966 -1.08601333  0.71195577
   0.44812736  0.17244941  0.00813809
   0.25516855  1.32894379 -0.07235756
  -0.14944339  1.45184577  0.04535914
   0.70533673  0.38964098  0.86833961
   0.57081510  0.57543850  0.72921179
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.811829    0.297619   -0.006693
    -0.000000    9.804401    0.075774
    -0.000000    0.000000   13.820782
   Si   O    H 
    32    64    10
Direct configuration=  3887
   0.11914564  0.17701856  0.00965268
   0.35807295  0.12423040  0.39986553
   0.17156840  0.46205451  0.07537255
   0.40597926  0.35525889  0.23995901
   0.05664638  0.17282076  0.47966348
   0.34998084  0.10855634  0.86638495
   0.17849833  0.38471227  0.58956818
   0.35258212  0.38941236  0.75958881
   0.14343138  0.75566212 -0.02097994
   0.40882061  0.61941928  0.36183795
   0.10060676  0.94419300  0.15303856
   0.35545131  0.88335719  0.27601653
   0.13471486  0.63362167  0.48758394
   0.30874426  0.69251512  0.82420112
   0.08015534  0.90251302  0.58584701
   0.35464140  0.94319125  0.67308613
   0.61415779  0.14451350  0.96866991
   0.83510184  0.18124237  0.32127679
   0.61549116  0.40318123  0.07301136
   0.94335986  0.38354389  0.21329311
   0.62788773  0.21183241  0.47840836
   0.88749499  0.14301390  0.86269106
   0.60255788  0.45641694  0.64535917
   0.82253838  0.41494687  0.79836700
   0.57639096  0.67082101 -0.02564659
   0.88720697  0.59145599  0.36225505
   0.59463343  0.91942194  0.12033921
   0.84446740  0.87414440  0.24949138
   0.65358336  0.66649354  0.48282740
   0.86228542  0.67546693  0.89073052
   0.65002716  0.88326051  0.62482350
   0.87671295  0.90350620  0.74751292
   0.09290714  0.11205563  0.11755254
   0.36128293  0.21501672  0.29492895
   0.16998719  0.32974608 -0.00545784
   0.42860429  0.46384597  0.32763301
   0.54824603  0.32660520  0.17355759
   0.29507433  0.41131858  0.15162557
   0.20166460  0.12227433  0.42829755
  -0.04480546  0.21926402  0.39655105
   0.00613964  0.03398462  0.53169457
   0.33913584  0.28932402  0.86812395
   0.06353023  0.28380192  0.56235196
   0.32208281  0.53898426  0.80710388
   0.50527279  0.35038366  0.72789184
   0.21021308  0.35415100  0.70872032
   0.22160419  0.09034571 -0.06585843
  -0.03075058  0.16083033  0.96213502
   0.20351881  0.61122427  0.02319437
   0.35365095  0.71789172  0.26896137
   0.17016358  0.86743601  0.06213540
   0.39216643  0.96876257  0.36200377
   0.45582277  0.94398746  0.19024782
   0.19152321  0.92014115  0.25063635
   0.28902901  0.63654029  0.44444876
   0.04259607  0.56469554  0.40188581
   0.31868407  0.37808530  0.53452157
   0.34571574  0.78676842  0.72038968
   0.07380934  0.78589209  0.51202814
   0.32862460  1.07414963  0.74820446
   0.49718140  0.95382421  0.62054019
   0.24447169  0.95569434  0.59154342
   0.22995322  0.79411420 -0.11659452
  -0.00763660  0.73147036  0.94639934
   0.64823868  0.05176341  0.06869244
   0.84252245  0.24765655  0.21390722
   0.59817921  0.30944298 -0.02012572
   0.85195194  0.50517918  0.26408979
   0.02264343  0.45710285  0.11919855
   0.77906655  0.43804206  0.09811804
   0.69479675  0.23744623  0.37407915
   0.47091580  0.16655734  0.47671816
   0.71623479  0.07245172  0.51640005
   0.89196433  0.26700764  0.78657313
   0.64022461  0.32004982  0.56983139
   0.91601850  0.52772186  0.85207244
   1.11448624  0.54463087  0.58823553
   0.77182343  0.47726627  0.69374116
   0.74755191  0.11933821  0.90444456
   0.49683381  0.05829188  0.89923186
   0.52327713  0.52807560  0.02432637
   0.85820798  0.75836867  0.32835736
   0.54458273  0.81362155  0.03453003
   0.86447359  1.01648480  0.31318613
   0.94568279  0.88438315  0.15848320
   0.70142446  0.85298629  0.20338795
   0.78128881  0.57200978  0.44639196
   0.56021617  0.66331975  0.38342067
   0.56743706  0.57430386  0.56378050
   0.81043894  0.76585837  0.79684808
   0.70915256  0.80370918  0.53670540
   0.94966192  0.99893393  0.82188543
   1.01198041  0.84938708  0.68800986
   0.76287784  0.98680480  0.67720387
   0.74025557  0.66667782  0.96489130
   0.49814927  0.68928403  0.87480853
   0.63195288  0.78386056  0.71303571
   0.80856183  1.07405438  0.55592266
   1.06301621  0.34279927  0.28531845
   1.69768284  2.68111167 -0.33437560
  -0.14059662 -1.04532509  0.69401656
   0.44734059  0.17818060  0.01737170
   0.25887920  1.32448622 -0.07154345
  -0.15119728  1.45277047  0.04492008
   0.71091761  0.39276095  0.87240530
   0.56198733  0.59608574  0.73313627
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.814542    0.299497   -0.008560
    -0.000000    9.809721    0.071905
    -0.000000    0.000000   13.822408
   Si   O    H 
    32    64    10
Direct configuration=  3888
   0.11976877  0.17714869  0.00866445
   0.35818616  0.12492820  0.40044299
   0.17234234  0.46308674  0.07535058
   0.40558719  0.35506846  0.23854593
   0.05650516  0.17199335  0.47974735
   0.34997865  0.10841035  0.86587999
   0.17802244  0.38406667  0.58988653
   0.35189881  0.39036222  0.75943468
   0.14295942  0.75627403 -0.02091986
   0.40883336  0.61944533  0.36199894
   0.10079107  0.94461926  0.15337988
   0.35637445  0.88317130  0.27605012
   0.13240308  0.63275829  0.48780612
   0.30111056  0.68976871  0.82564485
   0.07980337  0.90378939  0.58512967
   0.35387205  0.94154127  0.67330645
   0.61199294  0.14387140  0.96837883
   0.83481328  0.18323733  0.32019281
   0.61562022  0.40200696  0.07281058
   0.94282409  0.38381287  0.21360407
   0.62790421  0.21333888  0.47750612
   0.88678711  0.14476208  0.86346627
   0.60241122  0.45626570  0.64482862
   0.82142498  0.41364388  0.79921370
   0.57551315  0.67206721 -0.02490841
   0.88757409  0.59237743  0.36229310
   0.59396929  0.92033822  0.12119653
   0.84493434  0.87398021  0.24890577
   0.65289421  0.66669715  0.48278563
   0.86303471  0.67440473  0.89121891
   0.64844485  0.88419185  0.62329193
   0.88077906  0.90015555  0.75162239
   0.09272024  0.11052462  0.11842416
   0.36027666  0.21361288  0.29557999
   0.17082202  0.33037508 -0.00597514
   0.42931380  0.46471413  0.32624758
   0.54646249  0.32699748  0.17522858
   0.29592560  0.41151992  0.15288866
   0.20375728  0.12291599  0.42800898
  -0.04577393  0.21915981  0.39544053
   0.00546721  0.03500602  0.53191666
   0.33683285  0.28912379  0.86688008
   0.06303862  0.28377444  0.56200347
   0.32202378  0.53846224  0.80675155
   0.50610710  0.35168602  0.72798093
   0.21123812  0.35399266  0.70867236
   0.22167759  0.09046663 -0.06531204
  -0.03052439  0.16137876  0.96372478
   0.20456125  0.61049305  0.02371928
   0.35295959  0.71777442  0.26993263
   0.16938547  0.86692815  0.06211302
   0.39446450  0.96846719  0.36199854
   0.45779977  0.94466511  0.19113654
   0.18961568  0.91966177  0.25088400
   0.29010351  0.63590358  0.44528387
   0.04161216  0.56660466  0.40221208
   0.31780611  0.37893327  0.53537841
   0.34404469  0.78539422  0.72294283
   0.07343451  0.78696076  0.51320918
   0.32843057  1.07497634  0.74849872
   0.49869622  0.95302379  0.62088755
   0.24364606  0.95613103  0.59180556
   0.22788479  0.79451239 -0.11668011
  -0.00802307  0.73134608  0.94700522
   0.64731456  0.05188426  0.06875062
   0.84049665  0.24583920  0.21475026
   0.59923322  0.31111339 -0.02139683
   0.85212583  0.50524208  0.26389759
   0.02442364  0.45825480  0.11947046
   0.77979218  0.43941695  0.09791070
   0.69492702  0.23786161  0.37443313
   0.46906232  0.16674744  0.47697279
   0.71843601  0.07300930  0.51695944
   0.89185565  0.26551432  0.78714409
   0.63887915  0.31823762  0.56948606
   0.91642469  0.52872890  0.85116055
   1.11355580  0.54366230  0.58764848
   0.76868905  0.47598486  0.69305798
   0.74829606  0.11944776  0.90463651
   0.49402570  0.05645698  0.89801104
   0.52387260  0.52851347  0.02460142
   0.85872926  0.75717054  0.32867943
   0.54456556  0.81350584  0.03557606
   0.86608552  1.01720355  0.31275063
   0.94505932  0.88489645  0.15767887
   0.70166300  0.85354993  0.20344262
   0.78053231  0.57261021  0.44641747
   0.56057967  0.66334847  0.38434698
   0.56760037  0.57261395  0.56494614
   0.81062806  0.76464798  0.79712006
   0.71028485  0.80401725  0.53648535
   0.94895317  0.99844603  0.82242281
   1.01132486  0.84884190  0.68864126
   0.76276856  0.98961403  0.67613884
   0.74165732  0.66778532  0.96549172
   0.49586257  0.68920149  0.87519242
   0.63700519  0.80213965  0.71938705
   0.81289869  1.07392524  0.54900306
   1.07234793  0.34244305  0.28580639
   1.76159201  2.66570664 -0.36565508
  -0.04065386 -0.92241385  0.58868571
   0.44341144  0.18241263  0.02622544
   0.26731026  1.32136656 -0.07471804
  -0.15726658  1.45552943  0.04868180
   0.71496652  0.39917555  0.87197997
   0.55505097  0.60994697  0.73511718
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.817647    0.301461   -0.010712
    -0.000000    9.815197    0.068150
    -0.000000    0.000000   13.824381
   Si   O    H 
    32    64    10
Direct configuration=  3889
   0.11993490  0.17660535  0.00792900
   0.35851916  0.12557812  0.40076161
   0.17357625  0.46334195  0.07564480
   0.40468565  0.35507862  0.23752968
   0.05656260  0.17080868  0.47964456
   0.34932929  0.10840983  0.86552032
   0.17876967  0.38440555  0.59024869
   0.35068188  0.39086797  0.75928370
   0.14230698  0.75707081 -0.02084555
   0.40874035  0.61907872  0.36239476
   0.10107663  0.94437450  0.15373855
   0.35677797  0.88260192  0.27576826
   0.13066551  0.63203512  0.48840807
   0.29455861  0.68706164  0.82613159
   0.07956918  0.90495958  0.58500778
   0.35367566  0.93995769  0.67361095
   0.60993831  0.14297253  0.96841383
   0.83459145  0.18429053  0.31936621
   0.61577079  0.40067450  0.07295153
   0.94205764  0.38422854  0.21406817
   0.62825781  0.21475401  0.47686079
   0.88657708  0.14608829  0.86420003
   0.60221342  0.45570598  0.64455415
   0.82055515  0.41355705  0.79990795
   0.57486190  0.67419474 -0.02445613
   0.88826898  0.59359522  0.36175066
   0.59316749  0.92089682  0.12207738
   0.84537466  0.87436464  0.24886616
   0.65203086  0.66640061  0.48266017
   0.86354511  0.67357464  0.89119068
   0.64782667  0.88562828  0.62318644
   0.88395086  0.89665821  0.75547476
   0.09250667  0.10960460  0.11868931
   0.35985461  0.21173463  0.29586012
   0.17216641  0.33110821 -0.00638365
   0.42978773  0.46516967  0.32537391
   0.54519091  0.32837961  0.17622651
   0.29617961  0.41148709  0.15438326
   0.20462245  0.12397404  0.42800057
  -0.04687731  0.21918497  0.39485549
   0.00454373  0.03646934  0.53253519
   0.33427443  0.28857576  0.86570132
   0.06215568  0.28340713  0.56157003
   0.32153385  0.53798002  0.80615258
   0.50712826  0.35344708  0.72734418
   0.21209226  0.35406291  0.70846953
   0.22083880  0.09097706 -0.06504373
  -0.03001455  0.16155404  0.96497096
   0.20532559  0.60969839  0.02440276
   0.35380073  0.71735698  0.27158218
   0.16853077  0.86655796  0.06260424
   0.39609953  0.96827767  0.36291984
   0.45943175  0.94487739  0.19162624
   0.18824201  0.91940100  0.25092230
   0.29116745  0.63678843  0.44619130
   0.04025791  0.56808645  0.40228731
   0.31745734  0.37966231  0.53621630
   0.34216823  0.78375403  0.72497667
   0.07225891  0.78749901  0.51430377
   0.32839726  1.07548322  0.74834745
   0.50014376  0.95265443  0.62116803
   0.24179381  0.95713408  0.59216997
   0.22465896  0.79497747 -0.11599657
  -0.00919923  0.73114367  0.94709092
   0.64661648  0.05225074  0.06788121
   0.83944034  0.24454890  0.21591326
   0.60040482  0.31232417 -0.02289245
   0.85325911  0.50591160  0.26389910
   0.02545730  0.45892082  0.11949101
   0.77967955  0.43994020  0.09781154
   0.69534688  0.23858709  0.37412920
   0.46785291  0.16639968  0.47718838
   0.72046272  0.07296506  0.51677527
   0.89281075  0.26402593  0.78738544
   0.63763654  0.31691548  0.56955115
   0.91773124  0.52917855  0.85048592
   1.11306919  0.54296474  0.58680685
   0.76494251  0.47470261  0.69277129
   0.74766098  0.11879653  0.90524498
   0.49199625  0.05431594  0.89618901
   0.52416593  0.52887720  0.02441277
   0.85946056  0.75563230  0.32971698
   0.54496123  0.81315726  0.03680340
   0.86745098  1.01774317  0.31185030
   0.94451853  0.88594814  0.15706111
   0.70192204  0.85409812  0.20330341
   0.77936016  0.57242930  0.44678141
   0.56151737  0.66338885  0.38536465
   0.56839940  0.57176943  0.56543839
   0.81105535  0.76386964  0.79703779
   0.71071234  0.80436554  0.53482780
   0.94893705  0.99905645  0.82275375
   1.01019448  0.84875654  0.68872911
   0.76263409  0.99193795  0.67566318
   0.74272410  0.66919114  0.96622536
   0.49325897  0.68970344  0.87515957
   0.63835466  0.82581510  0.72173805
   0.80520986  1.07284113  0.53983558
   1.07188018  0.34453837  0.28081044
   1.82023352  2.65666993 -0.39131462
   0.06243967 -0.81160528  0.49468735
   0.44121976  0.18601581  0.03635470
   0.27804277  1.31657620 -0.07960024
  -0.15724716  1.45817962  0.04935065
   0.71817210  0.40249230  0.87182690
   0.54810886  0.61305999  0.73814670
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.822416    0.311438   -0.006704
    -0.000000    9.830992    0.079076
    -0.000000    0.000000   13.832640
   Si   O    H 
    32    64    10
Direct configuration=  3890
   0.12044104  0.17554436  0.00741865
   0.35911783  0.12611600  0.40058782
   0.17523642  0.46310061  0.07574700
   0.40404519  0.35469776  0.23684401
   0.03573044  0.10840253  0.42677951
   0.34824775  0.10828467  0.86518367
   0.18027721  0.38494013  0.59048002
   0.35023040  0.39164298  0.75911259
   0.14114914  0.75691749 -0.02040811
   0.40850759  0.61911651  0.36282926
   0.10181389  0.94419723  0.15374786
   0.35669514  0.88243642  0.27483606
   0.12932428  0.63193174  0.48859488
   0.28995315  0.68530592  0.82618281
   0.07947529  0.90607468  0.58517525
   0.35393900  0.93838182  0.67373575
   0.60757583  0.14237394  0.96884831
   0.83445327  0.18423675  0.31855510
   0.61612536  0.39956973  0.07345380
   0.94118609  0.38486566  0.21447908
   0.62816812  0.21533436  0.47673194
   0.88648952  0.14699977  0.86491640
   0.60206353  0.45538531  0.64440921
   0.81934975  0.41364292  0.80039526
   0.57440539  0.67673243 -0.02381768
   0.88948162  0.59460839  0.36124906
   0.59243958  0.92142777  0.12328583
   0.84625110  0.87547189  0.24910265
   0.65178429  0.66569181  0.48273274
   0.86374888  0.67360521  0.89157356
   0.64738702  0.88728473  0.62350957
   0.88584338  0.89331526  0.75858071
   0.09247902  0.10785176  0.11819536
   0.35888341  0.21092361  0.29612010
   0.17361304  0.33162646 -0.00653665
   0.43034314  0.46504068  0.32399189
   0.54489337  0.32993264  0.17674595
   0.29571102  0.41120316  0.15542730
   0.20407360  0.12423780  0.42854581
  -0.04781837  0.22022027  0.39435774
   0.00387311  0.03760036  0.53337501
   0.33340287  0.28859934  0.86383073
   0.06016329  0.28280496  0.56151909
   0.32102817  0.53700563  0.80524221
   0.50732089  0.35506952  0.72657994
   0.21276125  0.35429346  0.70873370
   0.22010417  0.09069804 -0.06474887
  -0.02912105  0.16303097  0.96610034
   0.20556574  0.60850324  0.02552985
   0.35452486  0.71782765  0.27340386
   0.16784225  0.86630533  0.06221250
   0.39733708  0.96784396  0.36477869
   0.46061362  0.94520769  0.19205124
   0.18765720  0.91946276  0.25116424
   0.29183300  0.63720935  0.44773058
   0.03948467  0.56952466  0.40253614
   0.31777814  0.37987783  0.53750269
   0.33978833  0.78247450  0.72663723
   0.07072664  0.78744612  0.51423123
   0.32833400  1.07529785  0.74831492
   0.50003775  0.95191244  0.62107865
   0.23980802  0.95803307  0.59222685
   0.22093699  0.79682509 -0.11515222
  -0.01058091  0.73066985  0.94695051
   0.64697703  0.05268132  0.06708921
   0.83849851  0.24406035  0.21715299
   0.60183152  0.31364672 -0.02424656
   0.85502308  0.50766845  0.26439695
   0.02516877  0.45901867  0.11957016
   0.77939253  0.44072277  0.09737240
   0.69576288  0.23923901  0.37314399
   0.46712941  0.16704794  0.47747331
   0.72069680  0.07210101  0.51606324
   0.89424247  0.26280217  0.78693666
   0.63732597  0.31706205  0.56993374
   0.91897368  0.52965856  0.85007179
   1.11272597  0.54277255  0.58591692
   0.76149045  0.47292260  0.69215999
   0.74566537  0.11791132  0.90605486
   0.49144076  0.05207298  0.89430816
   0.52464104  0.52913983  0.02402795
   0.86046946  0.75503195  0.33158315
   0.54491633  0.81320981  0.03747889
   0.86893962  1.01893383  0.31043897
   0.94439841  0.88674298  0.15674833
   0.70129751  0.85477413  0.20280723
   0.77853716  0.57250773  0.44735053
   0.56177445  0.66395084  0.38652975
   0.56913834  0.57066234  0.56488993
   0.81191083  0.76357693  0.79687787
   0.71009804  0.80366689  0.53271649
   0.94925487  0.99975260  0.82318073
   1.00990931  0.84758943  0.68829357
   0.76275010  0.99374617  0.67557398
   0.74363460  0.67093436  0.96674914
   0.49145362  0.69001485  0.87497826
   0.63618218  0.84318310  0.72159445
   0.81566646  1.07349279  0.53778745
   1.06451724  0.34591388  0.26988158
   1.87521979  2.64627943 -0.41817647
  -0.25897213 -0.97942063  0.89037960
   0.44265264  0.18670523  0.04357257
   0.28519176  1.31297952 -0.08103991
  -0.15541060  1.46495543  0.04433875
   0.71764939  0.40011720  0.87036462
   0.54457541  0.61158597  0.73841531
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.831214    0.343010    0.016082
    -0.000000    9.877018    0.139921
    -0.000000    0.000000   13.865695
   Si   O    H 
    32    64    10
Direct configuration=  3891
   0.12094489  0.17450527  0.00704690
   0.35994712  0.12682010  0.40024691
   0.17653615  0.46229959  0.07599606
   0.40333172  0.35423710  0.23650981
   0.01879735  0.05205135  0.38007699
   0.34680522  0.10887927  0.86451195
   0.18143435  0.38499983  0.59064440
   0.35069166  0.39193851  0.75897956
   0.13988518  0.75648749 -0.01952520
   0.40809857  0.61910215  0.36333280
   0.10244476  0.94391694  0.15346954
   0.35658699  0.88287284  0.27397500
   0.12834951  0.63188539  0.48859164
   0.28692460  0.68432693  0.82592337
   0.07961396  0.90776705  0.58518297
   0.35471212  0.93710581  0.67406673
   0.60495444  0.14185087  0.96961402
   0.83386820  0.18366417  0.31816144
   0.61564970  0.39975505  0.07439415
   0.94051115  0.38639745  0.21480966
   0.62818186  0.21542009  0.47684913
   0.88826014  0.14739382  0.86567832
   0.60218390  0.45514615  0.64422810
   0.81811109  0.41384595  0.80113553
   0.57343471  0.67928539 -0.02325326
   0.89052195  0.59607412  0.36056386
   0.59175842  0.92132612  0.12427889
   0.84658904  0.87559572  0.24930695
   0.65153967  0.66521637  0.48292308
   0.86384852  0.67348586  0.89202118
   0.64790493  0.88982003  0.62430863
   0.88715549  0.89046506  0.76095692
   0.09323496  0.10643951  0.11722802
   0.35903054  0.21080650  0.29578258
   0.17411767  0.33251059 -0.00681017
   0.43031439  0.46519280  0.32289413
   0.54542524  0.33198602  0.17672329
   0.29500138  0.41120042  0.15628816
   0.20342531  0.12402879  0.42931382
  -0.05013785  0.22274845  0.39341375
   0.00325949  0.03874526  0.53414276
   0.33199600  0.28869508  0.86111551
   0.05829021  0.28236126  0.56109242
   0.32005049  0.53574085  0.80480852
   0.50766692  0.35708665  0.72585297
   0.21321377  0.35477676  0.70887211
   0.21979100  0.09075385 -0.06462103
  -0.02859980  0.16504047  0.96684503
   0.20612564  0.60670807  0.02622094
   0.35504058  0.71853217  0.27477556
   0.16787698  0.86560936  0.06198386
   0.39894234  0.96739824  0.36656332
   0.46154467  0.94439262  0.19271104
   0.18762748  0.91965398  0.25118579
   0.29296660  0.63811830  0.44903586
   0.03909592  0.57063207  0.40251808
   0.31841708  0.38002966  0.53864371
   0.33745817  0.78168262  0.72828954
   0.06943890  0.78623701  0.51401005
   0.32838088  1.07522495  0.74885440
   0.49974721  0.95180917  0.62067762
   0.23709849  0.95921321  0.59288386
   0.21709823  0.79859905 -0.11484910
  -0.01142491  0.73050239  0.94689428
   0.64872494  0.05325922  0.06615162
   0.83768337  0.24438556  0.21740726
   0.60403231  0.31369240 -0.02564994
   0.85618235  0.50934096  0.26546306
   0.02457519  0.45853800  0.11990813
   0.77960179  0.44103963  0.09724664
   0.69586924  0.23976132  0.37199012
   0.46701718  0.16772185  0.47724788
   0.72042336  0.07161302  0.51541527
   0.89567207  0.26198503  0.78703610
   0.63678621  0.31744943  0.57042306
   0.91956869  0.52915423  0.84971668
   1.11296793  0.54385872  0.58486569
   0.75807420  0.46999396  0.69189176
   0.74293067  0.11621406  0.90681765
   0.49262854  0.05010785  0.89342387
   0.52526657  0.52918131  0.02462752
   0.86048431  0.75466970  0.33245371
   0.54484383  0.81371503  0.03784951
   0.86981210  1.01901365  0.30910013
   0.94469381  0.88689136  0.15636535
   0.70027118  0.85491354  0.20235737
   0.77895021  0.57308426  0.44771622
   0.56223173  0.66597348  0.38763723
   0.56858552  0.56981663  0.56436984
   0.81251805  0.76405445  0.79778782
   0.70949379  0.80311721  0.53070482
   0.94949619  1.00056856  0.82471840
   1.01002879  0.84673240  0.68769467
   0.76295477  0.99517585  0.67680641
   0.74406006  0.67256813  0.96739694
   0.48929492  0.69104545  0.87422791
   0.63050835  0.85161948  0.72050597
   0.82380703  1.07560971  0.53651064
   1.05887635  0.34801500  0.26026967
   1.92762948  2.63851930 -0.44263082
  -0.65040641 -1.34241301  1.14329896
   0.44755352  0.18218366  0.04712674
   0.28403296  1.31321306 -0.07449285
  -0.15873333  1.47071254  0.04124782
   0.71191959  0.39427881  0.87254140
   0.54460949  0.60792120  0.73730597
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.842981    0.391679    0.053629
    -0.000000    9.945872    0.238870
    -0.000000    0.000000   13.918219
   Si   O    H 
    32    64    10
Direct configuration=  3892
   0.12208094  0.17305268  0.00708050
   0.36008060  0.12799213  0.39997687
   0.17825528  0.46155024  0.07645511
   0.40244772  0.35354305  0.23615268
   0.00479522  0.00268834  0.33951189
   0.34516408  0.10965179  0.86440149
   0.18207800  0.38537831  0.59108357
   0.35129858  0.39149249  0.75893432
   0.13922057  0.75537670 -0.01854965
   0.40837805  0.61942693  0.36381475
   0.10314750  0.94314514  0.15284836
   0.35632520  0.88341174  0.27357991
   0.12797730  0.63171407  0.48836698
   0.28536001  0.68440848  0.82549890
   0.07968170  0.91005248  0.58570168
   0.35584989  0.93626261  0.67482186
   0.60257136  0.14122814  0.97036379
   0.83310244  0.18333609  0.31851069
   0.61499134  0.39987774  0.07535311
   0.93962864  0.38830061  0.21496257
   0.62865215  0.21535657  0.47736829
   0.89043437  0.14705679  0.86652075
   0.60274105  0.45433583  0.64390430
   0.81696072  0.41367179  0.80217755
   0.57225121  0.68196770 -0.02274265
   0.89110105  0.59713535  0.36051969
   0.59149036  0.92121661  0.12496750
   0.84736592  0.87529712  0.24944754
   0.65165114  0.66469289  0.48344030
   0.86302431  0.67379087  0.89247839
   0.64880530  0.89242299  0.62523745
   0.88783302  0.88881447  0.76251213
   0.09491029  0.10468466  0.11595670
   0.35897693  0.21133667  0.29554706
   0.17485988  0.33255949 -0.00599876
   0.43044604  0.46548396  0.32208000
   0.54615027  0.33444090  0.17689684
   0.29411829  0.41122929  0.15697525
   0.20263544  0.12416483  0.42962728
  -0.05174468  0.22345909  0.39193882
   0.00173930  0.03931957  0.53471710
   0.33100181  0.28858239  0.85852815
   0.05620664  0.28305290  0.56085568
   0.31867592  0.53424864  0.80400340
   0.50819554  0.35978602  0.72510654
   0.21352596  0.35479185  0.70895565
   0.21912379  0.09030992 -0.06448846
  -0.02872327  0.16679479  0.96734807
   0.20769419  0.60526593  0.02652081
   0.35599387  0.71968906  0.27599655
   0.16774758  0.86461323  0.06192067
   0.39959519  0.96716505  0.36780695
   0.46224242  0.94401727  0.19353325
   0.18847774  0.91992525  0.25120825
   0.29423318  0.63938741  0.44966928
   0.03897806  0.57097794  0.40238807
   0.31959420  0.38030293  0.53933143
   0.33522001  0.78038806  0.72999109
   0.06836735  0.78340937  0.51307483
   0.32836001  1.07518591  0.74991917
   0.49946015  0.95134886  0.62099903
   0.23471590  0.95908015  0.59396400
   0.21319713  0.80028030 -0.11434570
  -0.01106826  0.73096654  0.94655740
   0.64975381  0.05219180  0.06579271
   0.83762978  0.24616335  0.21722213
   0.60677541  0.31311081 -0.02707360
   0.85702884  0.51091603  0.26649225
   0.02402265  0.45782162  0.12101289
   0.77978036  0.44114763  0.09668319
   0.69575711  0.24037600  0.37110692
   0.46713723  0.16814331  0.47727531
   0.72014579  0.07118509  0.51421892
   0.89685953  0.26173760  0.78718619
   0.63618725  0.31779339  0.57033235
   0.92038726  0.52831480  0.84954242
   1.11282552  0.54466175  0.58426821
   0.75453637  0.46726772  0.69201355
   0.73911322  0.11502572  0.90689439
   0.49370794  0.04853598  0.89297287
   0.52568252  0.52956882  0.02611163
   0.86183552  0.75479297  0.33283997
   0.54388970  0.81449297  0.03875944
   0.87006402  1.01849760  0.30793202
   0.94505270  0.88600266  0.15606676
   0.69880434  0.85500521  0.20160081
   0.78018828  0.57382291  0.44833832
   0.56202672  0.66841292  0.38918905
   0.56814204  0.56980918  0.56319299
   0.81312729  0.76429844  0.79848683
   0.70898286  0.80314529  0.52889969
   0.94965487  1.00149390  0.82675993
   1.01091989  0.84513194  0.68611746
   0.76291977  0.99638642  0.67806514
   0.74427237  0.67427196  0.96744506
   0.48679717  0.69221175  0.87371944
   0.62842463  0.84917983  0.72278332
   0.82397549  1.08115624  0.53258192
   1.06074577  0.34821724  0.25455547
   1.97532284  2.63014553 -0.46429340
  -1.11036059 -0.89012064  1.26144089
   0.45118062  0.17484796  0.04841496
   0.28056637  1.31764768 -0.07063013
  -0.16876927  1.47439827  0.03964644
   0.70373233  0.39191335  0.87320897
   0.54931664  0.60380504  0.73721953
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.856767    0.452063    0.102599
    -0.000000   10.031519    0.366546
    -0.000000    0.000000   13.986095
   Si   O    H 
    32    64    10
Direct configuration=  3893
   0.12279398  0.17090867  0.00731283
   0.36029492  0.12931901  0.39945175
   0.18011744  0.46109155  0.07715821
   0.40142260  0.35286218  0.23559867
  -0.00452005 -0.04075888  0.30485785
   0.34384023  0.11044494  0.86420409
   0.18239212  0.38485768  0.59169691
   0.35211950  0.39060303  0.75937449
   0.13783940  0.75448152 -0.01733424
   0.40832918  0.61947682  0.36383702
   0.10344843  0.94270175  0.15192068
   0.35572572  0.88389151  0.27327769
   0.12824228  0.63144127  0.48788751
   0.28465089  0.68497492  0.82484556
   0.07952658  0.91244913  0.58618830
   0.35631198  0.93540266  0.67566509
   0.60042068  0.14039348  0.97106001
   0.83187337  0.18491822  0.31980673
   0.61418944  0.40043512  0.07628081
   0.93922300  0.38995594  0.21477983
   0.62901639  0.21499340  0.47839269
   0.89200120  0.14610579  0.86725223
   0.60314891  0.45375082  0.64368729
   0.81589956  0.41315522  0.80319902
   0.57052248  0.68417790 -0.02240441
   0.89170277  0.59740199  0.36095803
   0.59143344  0.92131715  0.12534401
   0.84800238  0.87402137  0.24937031
   0.65157955  0.66398585  0.48449157
   0.86266540  0.67350037  0.89246505
   0.65034734  0.89503746  0.62609375
   0.88837417  0.88794303  0.76333736
   0.09555233  0.10305938  0.11461285
   0.35937008  0.21270064  0.29468251
   0.17601020  0.33304149 -0.00453187
   0.43002452  0.46583286  0.32132058
   0.54696487  0.33655229  0.17645864
   0.29209356  0.41153744  0.15748481
   0.20239214  0.12379937  0.42947121
  -0.05239058  0.22353830  0.39022270
  -0.00000716  0.03853866  0.53502087
   0.32992241  0.28787082  0.85632848
   0.05421846  0.28457616  0.56085484
   0.31694280  0.53232346  0.80407992
   0.50946197  0.36286075  0.72481226
   0.21301872  0.35471096  0.70906207
   0.21826856  0.09033113 -0.06460477
  -0.02943839  0.16797464  0.96727654
   0.20860927  0.60448896  0.02752067
   0.35673959  0.72104742  0.27752087
   0.16792260  0.86354339  0.06165194
   0.39979230  0.96707209  0.36837122
   0.46267909  0.94461247  0.19471927
   0.18991720  0.92039970  0.25141815
   0.29458782  0.63978643  0.45020389
   0.03864212  0.57123641  0.40270407
   0.32181433  0.38048294  0.53985046
   0.33274793  0.77901565  0.73110150
   0.06679814  0.78096500  0.51164901
   0.32798007  1.07472742  0.75109984
   0.49774567  0.95120292  0.62105896
   0.23223061  0.95874513  0.59505351
   0.21027403  0.80167851 -0.11474218
  -0.01097526  0.73158018  0.94625828
   0.65074934  0.05026885  0.06666710
   0.83820253  0.24758895  0.21610294
   0.60954808  0.31207398 -0.02820814
   0.85827335  0.51164244  0.26730507
   0.02422203  0.45739684  0.12214306
   0.77956292  0.44084025  0.09695127
   0.69564122  0.24072704  0.37008805
   0.46843682  0.16855189  0.47668725
   0.72061057  0.07193526  0.51366414
   0.89791876  0.26277980  0.78721158
   0.63590669  0.31720991  0.57046665
   0.92081488  0.52708830  0.84970150
   1.11286255  0.54606942  0.58377728
   0.75194697  0.46489435  0.69259915
   0.73529234  0.11441381  0.90701512
   0.49463223  0.04748424  0.89264449
   0.52641548  0.52975585  0.02754457
   0.86263336  0.75510784  0.33287497
   0.54332305  0.81507751  0.03971596
   0.86529673  1.01775256  0.30615571
   0.94538005  0.88636031  0.15578261
   0.69791316  0.85502325  0.20129320
   0.78157776  0.57337059  0.44942134
   0.56072436  0.67073095  0.39012013
   0.56777868  0.56966150  0.56234642
   0.81353811  0.76309398  0.79962434
   0.70768719  0.80278406  0.52706350
   0.95038335  1.00118047  0.82858855
   1.01153258  0.84365253  0.68506993
   0.76336108  0.99647630  0.67920604
   0.74377947  0.67566744  0.96760073
   0.48435450  0.69326003  0.87352706
   0.62679821  0.83488483  0.72894120
   0.81935646  1.08842790  0.52624938
   1.06685631  0.34337324  0.25465051
   2.01552762  2.62358130 -0.47945543
  -0.61533191 -0.62702248  1.22634111
   0.45572641  0.16967291  0.04636915
   0.28094587  1.32181303 -0.07093750
  -0.17986668  1.47627585  0.04027509
   0.70214400  0.39189806  0.87172320
   0.55459668  0.59658182  0.73545214
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.872159    0.495687    0.148337
    -0.000000   10.159654    0.514702
    -0.000000    0.000000   14.057170
   Si   O    H 
    32    64    10
Direct configuration=  3894
   0.12275091  0.16926894  0.00782631
   0.36031277  0.13010042  0.39912892
   0.18131331  0.46065570  0.07769476
   0.45651565  0.28528065  0.26652341
  -0.00952949 -0.07838382  0.27497958
   0.34328961  0.11122974  0.86370369
   0.18240655  0.38336323  0.59235113
   0.35279559  0.38986443  0.75962273
   0.13622329  0.75374759 -0.01583718
   0.40809722  0.61923522  0.36380451
   0.10299102  0.94286413  0.15109811
   0.35533982  0.88455460  0.27314635
   0.13078780  0.63168859  0.48654364
   0.28554844  0.68597235  0.82431600
   0.07871255  0.91464818  0.58650272
   0.35680114  0.93486025  0.67701378
   0.59813043  0.13953724  0.97153132
   0.83073903  0.18723916  0.32136689
   0.61289997  0.40069173  0.07704673
   0.93879012  0.39221421  0.21417308
   0.62983682  0.21487885  0.47945000
   0.89274365  0.14484215  0.86794028
   0.60360490  0.45275701  0.64343868
   0.81532244  0.41320528  0.80342962
   0.56857983  0.68651072 -0.02227995
   0.89183900  0.59729972  0.36140127
   0.59179991  0.92139137  0.12527302
   0.84736819  0.87208641  0.24881022
   0.65119809  0.66379003  0.48541773
   0.86293948  0.67317599  0.89271028
   0.65225742  0.89716284  0.62706524
   0.88885877  0.88759192  0.76339170
   0.09639649  0.10155664  0.11357965
   0.35990207  0.21523929  0.29406225
   0.17821467  0.33334051 -0.00292453
   0.42919731  0.46620663  0.32010733
   0.54823844  0.33800241  0.17572601
   0.29034717  0.41211919  0.15727007
   0.20263188  0.12306250  0.42901751
  -0.05305350  0.22335500  0.38811766
  -0.00097796  0.03783428  0.53521150
   0.32981896  0.28704829  0.85499775
   0.05249953  0.28693084  0.56123457
   0.31479398  0.53016742  0.80390715
   0.50958837  0.36618285  0.72465835
   0.21265609  0.35424105  0.70921276
   0.21757599  0.08951174 -0.06449131
  -0.03048809  0.16911155  0.96729295
   0.20867564  0.60392603  0.02841746
   0.35731759  0.72260666  0.27863066
   0.16825046  0.86229279  0.06163973
   0.39906155  0.96601765  0.36919123
   0.46267844  0.94531477  0.19603896
   0.19126642  0.92089727  0.25179888
   0.29439587  0.64018319  0.45040638
   0.03990234  0.57028405  0.40313339
   0.32431751  0.38029657  0.54044175
   0.32963094  0.77760477  0.73251257
   0.06466902  0.77852874  0.51014207
   0.32778647  1.07390941  0.75219826
   0.49494950  0.95181271  0.62074961
   0.22975861  0.95866341  0.59602626
   0.20768598  0.80287250 -0.11514058
  -0.01145014  0.73283468  0.94595052
   0.65083980  0.04801701  0.06774364
   0.83912147  0.24914661  0.21499805
   0.61252870  0.31099085 -0.02905214
   0.85985797  0.51202507  0.26809844
   0.02467598  0.45705049  0.12253833
   0.77882758  0.44075552  0.09750354
   0.69524295  0.24147790  0.36910138
   0.46954423  0.16845664  0.47601092
   0.72112301  0.07287264  0.51260139
   0.89984936  0.26477820  0.78740413
   0.63552975  0.31707043  0.57035344
   0.92066023  0.52659728  0.85013116
   1.11302829  0.54765050  0.58335202
   0.75003511  0.46284366  0.69310690
   0.73238406  0.11342227  0.90702278
   0.49545133  0.04653042  0.89251299
   0.52731140  0.53040541  0.02893881
   0.86316978  0.75556506  0.33288811
   0.54404796  0.81519093  0.04068987
   0.85713760  1.01906541  0.30472097
   0.94550278  0.88625038  0.15514352
   0.69838463  0.85497458  0.20110799
   0.78408954  0.57342550  0.45046980
   0.55908505  0.67261835  0.39064142
   0.56736001  0.57055867  0.56203739
   0.81387288  0.76104553  0.80120763
   0.70660805  0.80291007  0.52568411
   0.95057977  1.00076004  0.83037117
   1.01264718  0.84257200  0.68442439
   0.76398368  0.99551034  0.68067503
   0.74237783  0.67713073  0.96762415
   0.48191652  0.69461854  0.87331081
   0.62492888  0.81838683  0.73262753
   0.81322259  1.09340787  0.51933287
   1.07404334  0.33696471  0.25939234
   2.01083117  2.61385350 -0.47808377
  -0.73953222 -0.65499536  1.22014152
   0.45971221  0.16739414  0.04191634
   0.28084849  1.32382212 -0.07663148
  -0.18811034  1.48067356  0.03702025
   0.70102596  0.39306423  0.86661419
   0.55923633  0.59287443  0.73457126
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.901013    0.478187    0.193598
    -0.000000   10.361976    0.662538
    -0.000000    0.000000   14.127381
   Si   O    H 
    32    64    10
Direct configuration=  3895
   0.12308808  0.16842332  0.00806532
   0.35973158  0.13002507  0.39926636
   0.18266251  0.45987374  0.07791475
   0.50919409  0.22860757  0.29351955
  -0.01022269 -0.10893089  0.24979297
   0.34309007  0.11226842  0.86348565
   0.18194249  0.38140582  0.59295001
   0.35288702  0.38884352  0.75995434
   0.13428358  0.75293216 -0.01414953
   0.40803321  0.61824701  0.36390055
   0.10268933  0.94377674  0.14976620
   0.35635824  0.88531224  0.27291402
   0.13476402  0.63216940  0.48470434
   0.28716451  0.68696175  0.82396629
   0.07767130  0.91609976  0.58714595
   0.35650759  0.93395970  0.67847466
   0.59600645  0.13827616  0.97221349
   0.82987104  0.18868797  0.32263644
   0.61223123  0.40075038  0.07751728
   0.93851202  0.39386297  0.21335260
   0.63051976  0.21469561  0.48117553
   0.89319899  0.14408021  0.86832911
   0.60402824  0.45163176  0.64299049
   0.81465929  0.41324914  0.80364862
   0.56674277  0.68888760 -0.02262042
   0.89141065  0.59654475  0.36183563
   0.59248222  0.92113163  0.12460804
   0.84296445  0.86885919  0.24775555
   0.65107551  0.66370418  0.48686572
   0.86348028  0.67293603  0.89300349
   0.65456634  0.89874155  0.62751619
   0.88961687  0.88795625  0.76276086
   0.09769839  0.09996742  0.11227514
   0.35586644  0.21358620  0.29433972
   0.17989460  0.33336016 -0.00179316
   0.42810824  0.46653963  0.31887072
   0.54945558  0.33926919  0.17416333
   0.28803118  0.41192956  0.15777309
   0.20325587  0.12238554  0.42847766
  -0.05408696  0.22317589  0.38659815
  -0.00184292  0.03734054  0.53580293
   0.33023161  0.28612399  0.85418629
   0.05154332  0.28917793  0.56137155
   0.31228317  0.52792384  0.80415164
   0.50954323  0.36861737  0.72493335
   0.21249981  0.35456847  0.70952644
   0.21712844  0.08962773 -0.06399551
  -0.03127738  0.17002873  0.96677578
   0.20923557  0.60302651  0.02927535
   0.35718038  0.72390609  0.27948911
   0.16861078  0.86094190  0.06185909
   0.39848847  0.96505832  0.36961795
   0.46238395  0.94613676  0.19733838
   0.19271927  0.92147114  0.25170480
   0.29521315  0.63989446  0.45063816
   0.04096297  0.56917279  0.40338372
   0.32667540  0.38030624  0.54083296
   0.32678088  0.77653594  0.73364667
   0.06211925  0.77718578  0.50873741
   0.32770974  1.07242952  0.75275972
   0.49276326  0.95276928  0.62113841
   0.22827269  0.95869746  0.59756239
   0.20451175  0.80303795 -0.11523370
  -0.01212471  0.73384733  0.94624451
   0.65065539  0.04590847  0.06867260
   0.84039546  0.25089227  0.21359180
   0.61449341  0.30876357 -0.02908245
   0.86156566  0.51285789  0.26907956
   0.02643840  0.45654300  0.12252768
   0.77739813  0.44136386  0.09789898
   0.69339955  0.24234089  0.36800124
   0.47056116  0.16823426  0.47528837
   0.72089025  0.07303938  0.51184785
   0.90131664  0.26648480  0.78795028
   0.63547051  0.31669773  0.57046571
   0.92031922  0.52594444  0.85069342
   1.11286273  0.54847816  0.58313976
   0.74869055  0.46136591  0.69409003
   0.73098674  0.11292974  0.90675456
   0.49539385  0.04578539  0.89268533
   0.52894632  0.53110672  0.03027985
   0.86286397  0.75573646  0.33259617
   0.54492521  0.81472530  0.04125737
   0.84912663  1.02017667  0.30304658
   0.94560598  0.88638513  0.15439571
   0.69914082  0.85447752  0.20095340
   0.78611191  0.57385975  0.45174480
   0.55710785  0.67345334  0.39124922
   0.56678918  0.57106861  0.56190474
   0.81346205  0.75906250  0.80230497
   0.70554717  0.80292286  0.52484268
   0.95062475  1.00029854  0.83193649
   1.01335525  0.84111598  0.68396038
   0.76426423  0.99326433  0.68196876
   0.74028386  0.67851014  0.96744102
   0.47973540  0.69576796  0.87332277
   0.62442901  0.80385860  0.72893036
   0.81679942  1.09658762  0.51513520
   1.07385928  0.33094417  0.26431887
   1.98257033  2.60268862 -0.46308019
  -0.75473111 -1.04318361  1.18402793
   0.46332469  0.16421917  0.03424260
   0.28028650  1.32861912 -0.08338251
  -0.19523941  1.48217172  0.03451005
   0.69843603  0.39449745  0.86258647
   0.56441191  0.58657185  0.73388131
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.939920    0.415329    0.238369
    -0.000000   10.619504    0.809773
    -0.000000    0.000000   14.196815
   Si   O    H 
    32    64    10
Direct configuration=  3896
   0.12301431  0.16811307  0.00793998
   0.35840879  0.12938316  0.39952508
   0.18375071  0.45892226  0.07822145
   0.55682534  0.18025053  0.31727314
  -0.00515418 -0.13405090  0.22949616
   0.34313160  0.11271622  0.86328331
   0.18133025  0.37931662  0.59318655
   0.35228026  0.38791827  0.75991467
   0.13311383  0.75192015 -0.01206707
   0.40847600  0.61649492  0.36363760
   0.10244989  0.94496689  0.14783403
   0.35792640  0.88571496  0.27335480
   0.13813272  0.63269167  0.48294635
   0.28951143  0.68821084  0.82403341
   0.07594638  0.91718548  0.58742723
   0.35525048  0.93300777  0.68030660
   0.59441569  0.13728919  0.97324983
   0.82941196  0.18953663  0.32332890
   0.61166401  0.40105763  0.07747341
   0.93895503  0.39539800  0.21261186
   0.63108052  0.21487419  0.48320296
   0.89322851  0.14264817  0.86908584
   0.60433195  0.45001523  0.64220939
   0.81445841  0.41352269  0.80417372
   0.56511053  0.69074364 -0.02290011
   0.89034478  0.59595599  0.36241316
   0.59260926  0.92068781  0.12361850
   0.83247323  0.86473502  0.24692977
   0.65120435  0.66382136  0.48797495
   0.86449299  0.67280278  0.89321228
   0.65702384  0.89995490  0.62768262
   0.89058599  0.88881168  0.76177587
   0.09886011  0.09786540  0.11124498
   0.35182956  0.21201228  0.29471095
   0.18223123  0.33298026 -0.00120147
   0.42684242  0.46732161  0.31859338
   0.55020015  0.34007428  0.17311403
   0.28607740  0.41176096  0.15822017
   0.20386818  0.12188768  0.42868203
  -0.05489827  0.22298501  0.38535686
  -0.00253001  0.03678676  0.53642654
   0.33042914  0.28557573  0.85440958
   0.05100427  0.29165028  0.56194620
   0.31044864  0.52684438  0.80414827
   0.50899768  0.37132822  0.72479084
   0.21176655  0.35505703  0.70976514
   0.21639905  0.08979211 -0.06348696
  -0.03122779  0.17051333  0.96629678
   0.20939226  0.60252522  0.02996999
   0.35665618  0.72520687  0.28041294
   0.16820385  0.85976266  0.06227083
   0.39762909  0.96358689  0.37038054
   0.46186333  0.94706984  0.19803332
   0.19570251  0.92200240  0.25077868
   0.29566903  0.64041965  0.45123858
   0.04173504  0.56809607  0.40411824
   0.32812202  0.38006851  0.54115402
   0.32493869  0.77663999  0.73394501
   0.05970194  0.77576071  0.50701427
   0.32786724  1.07071531  0.75294711
   0.49151214  0.95310807  0.62142817
   0.22743514  0.95808923  0.59882896
   0.20139770  0.80246555 -0.11551738
  -0.01360657  0.73469595  0.94672217
   0.65074734  0.04441807  0.06965155
   0.84181183  0.25370945  0.21230030
   0.61642222  0.30721851 -0.02885391
   0.86307605  0.51384165  0.27027290
   0.02813390  0.45614580  0.12231857
   0.77479485  0.44307243  0.09790252
   0.69047021  0.24400528  0.36747576
   0.47191542  0.16889459  0.47439179
   0.72030187  0.07346149  0.51053638
   0.90290736  0.26816382  0.78844503
   0.63543486  0.31557430  0.57049800
   0.91959572  0.52502261  0.85159287
   1.11259829  0.54871715  0.58319974
   0.74796192  0.45990188  0.69494937
   0.73091876  0.11259195  0.90616743
   0.49419315  0.04614867  0.89287552
   0.53074014  0.53219768  0.03138015
   0.86202126  0.75496241  0.33228989
   0.54571149  0.81350965  0.04179555
   0.84181439  1.02049667  0.30133324
   0.94502481  0.88584582  0.15104817
   0.69978755  0.85413191  0.20125224
   0.78862149  0.57427973  0.45306037
   0.55474767  0.67413301  0.39257009
   0.56593673  0.57157289  0.56187276
   0.81346909  0.75755462  0.80286811
   0.70524556  0.80267110  0.52489237
   0.95051087  1.00033752  0.83283045
   1.01417839  0.84014275  0.68389078
   0.76483177  0.98994032  0.68423500
   0.73803581  0.68034135  0.96684154
   0.47783115  0.69688294  0.87373559
   0.62461973  0.79351831  0.72236668
   0.82207177  1.09571024  0.51413879
   1.06558725  0.32730840  0.26987769
   1.95715531  2.59018928 -0.44497276
  -0.64147620 -0.78233737  1.13301323
   0.46642038  0.16274988  0.02591367
   0.28192971  1.32878691 -0.08879491
  -0.20276464  1.48196217  0.03571678
   0.69024041  0.39535966  0.86007411
   0.57165185  0.58178053  0.73073618
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
     9.985539    0.319498    0.281758
    -0.000000   10.916864    0.955921
    -0.000000    0.000000   14.265117
   Si   O    H 
    32    64    10
Direct configuration=  3897
   0.12273068  0.16757413  0.00797398
   0.35636997  0.12880627  0.39938982
   0.18440063  0.45780996  0.07855776
   0.59908320  0.13797808  0.33816924
   0.00326137 -0.15715064  0.21455321
   0.34378076  0.11268006  0.86286217
   0.18061995  0.37772438  0.59308677
   0.35162085  0.38787574  0.75970762
   0.13255288  0.75089596 -0.01046751
   0.40857575  0.61509052  0.36311768
   0.10487615  0.94725654  0.14425513
   0.35999266  0.88612350  0.27411090
   0.14101961  0.63288040  0.48129345
   0.29192741  0.68951069  0.82428024
   0.07361186  0.91799789  0.58763433
   0.35395460  0.93199280  0.68221105
   0.59341643  0.13656643  0.97338425
   0.82990768  0.19055745  0.32329385
   0.61107541  0.40162043  0.07723537
   0.93922949  0.39703146  0.21211271
   0.63129592  0.21510726  0.48580224
   0.89261661  0.14080696  0.86995427
   0.60465601  0.44828906  0.64128694
   0.81393280  0.41345851  0.80444545
   0.56403363  0.69176226 -0.02289836
   0.88937215  0.59495330  0.36283986
   0.59201517  0.91992350  0.12251619
   0.81829136  0.86053056  0.24698158
   0.65133458  0.66368828  0.48883526
   0.86593266  0.67213423  0.89362155
   0.65963246  0.90090567  0.62851281
   0.89144447  0.88992173  0.76087891
   0.09964001  0.09606466  0.11065116
   0.34922754  0.21028039  0.29542466
   0.18367672  0.33241386 -0.00042278
   0.42613131  0.46833812  0.31878488
   0.55171671  0.34082575  0.17207964
   0.28399857  0.41262368  0.15883395
   0.20442586  0.12117103  0.42864679
  -0.05603943  0.22276172  0.38510696
  -0.00328732  0.03677312  0.53672346
   0.32983647  0.28473207  0.85467850
   0.05085462  0.29401468  0.56217619
   0.30835249  0.52671295  0.80362607
   0.50733442  0.37320690  0.72449628
   0.21088449  0.35557424  0.70995653
   0.21509499  0.09056958 -0.06278915
  -0.03040373  0.17116162  0.96599317
   0.20965941  0.60324822  0.03041828
   0.35623462  0.72660464  0.28047449
   0.16653841  0.85777131  0.06261268
   0.39696249  0.96211363  0.37132432
   0.46147004  0.94801091  0.19851115
   0.19819829  0.92229234  0.24979666
   0.29589937  0.64033205  0.45195286
   0.04251552  0.56714921  0.40504628
   0.32988255  0.38035765  0.54156999
   0.32309384  0.77735499  0.73288676
   0.05773253  0.77468744  0.50491057
   0.32841496  1.06923313  0.75330853
   0.49099602  0.95317017  0.62193921
   0.22741166  0.95804384  0.60032668
   0.19867025  0.80176563 -0.11547364
  -0.01419160  0.73436094  0.94754789
   0.65095910  0.04254150  0.07024328
   0.84407158  0.25598279  0.21180610
   0.61758266  0.30636509 -0.02832914
   0.86509974  0.51564230  0.27178026
   0.02941419  0.45690641  0.12120224
   0.77220694  0.44436138  0.09824354
   0.68741850  0.24610062  0.36669737
   0.47383037  0.16898894  0.47367703
   0.72004578  0.07503242  0.50900770
   0.90492266  0.26913746  0.78899375
   0.63463446  0.31446914  0.57004398
   0.91926819  0.52489466  0.85240616
   1.11252024  0.54857801  0.58300623
   0.74774352  0.45898005  0.69595467
   0.73164048  0.11275752  0.90539746
   0.49214178  0.04637714  0.89325875
   0.53255919  0.53436500  0.03183655
   0.86195549  0.75426450  0.33183198
   0.54669078  0.81229866  0.04232849
   0.83553640  1.02075791  0.29979445
   0.94134483  0.88619621  0.14533850
   0.70024713  0.85368322  0.20108396
   0.79067723  0.57556646  0.45432280
   0.55260144  0.67472276  0.39355122
   0.56565056  0.57119197  0.56219376
   0.81246071  0.75548010  0.80265894
   0.70519930  0.80285253  0.52501334
   0.95022664  0.99972576  0.83344828
   1.01426827  0.83956891  0.68418680
   0.76560614  0.98586852  0.68674042
   0.73570514  0.68160468  0.96651120
   0.47677615  0.69722457  0.87424174
   0.62965281  0.80175620  0.70781280
   0.82402044  1.09680520  0.51451677
   1.04860096  0.33045196  0.27123094
   1.92795438  2.58036705 -0.42469393
  -0.41648735 -0.84839198  1.05378838
   0.45100628  0.17857132  0.01995884
   0.29384889  1.31710687 -0.08697315
  -0.20014584  1.47895120  0.03687665
   0.67102246  0.39260158  0.86646233
   0.57212521  0.58292434  0.73664466
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.035110    0.200672    0.324199
    -0.000000   11.241700    1.100051
    -0.000000    0.000000   14.332230
   Si   O    H 
    32    64    10
Direct configuration=  3898
   0.12204881  0.16754822  0.00816956
   0.35442229  0.12809802  0.39884963
   0.18477222  0.45666717  0.07893021
   0.63564907  0.10138089  0.35635720
   0.01318721 -0.17962645  0.20462304
   0.34518617  0.11280397  0.86227965
   0.17998513  0.37619538  0.59309719
   0.35080420  0.38842368  0.75952313
   0.13242540  0.74909565 -0.00872356
   0.40836099  0.61301330  0.36285652
   0.10929816  0.95083059  0.14085419
   0.36169759  0.88646557  0.27558152
   0.14351585  0.63321835  0.47957489
   0.29444801  0.69032114  0.82443826
   0.07168321  0.91896222  0.58749825
   0.35213421  0.93138042  0.68378173
   0.59340493  0.13560508  0.97192836
   0.83090701  0.19126014  0.32323816
   0.61072027  0.40216619  0.07655612
   0.93982896  0.39810080  0.21181424
   0.63136236  0.21583646  0.48884947
   0.89185016  0.13932517  0.87088852
   0.60564818  0.44671497  0.64034985
   0.81329711  0.41352862  0.80460255
   0.56307483  0.69216181 -0.02295309
   0.88922392  0.59361568  0.36261485
   0.59087018  0.91872227  0.12178216
   0.80598527  0.85714073  0.24817541
   0.65106229  0.66422995  0.48932730
   0.86660875  0.67113595  0.89432907
   0.66222483  0.90164283  0.62950092
   0.89248747  0.89109235  0.75968927
   0.09963969  0.09415524  0.11037620
   0.34631887  0.20845453  0.29669332
   0.18458430  0.33146332  0.00023495
   0.42627210  0.46982736  0.31961582
   0.55301245  0.34196256  0.17082770
   0.28243330  0.41264506  0.15985844
   0.20451169  0.12087174  0.42866267
  -0.05786863  0.22265815  0.38474079
  -0.00437832  0.03618973  0.53711196
   0.32939574  0.28313400  0.85476344
   0.05165120  0.29536468  0.56208277
   0.30622641  0.52675758  0.80345604
   0.50481951  0.37535234  0.72378813
   0.21084286  0.35631324  0.71021584
   0.21390687  0.09060057 -0.06211565
  -0.02888084  0.17163126  0.96569408
   0.20958661  0.60427530  0.03072186
   0.35645962  0.72790212  0.28058696
   0.16517557  0.85543203  0.06281188
   0.39665292  0.96078845  0.37201926
   0.46180238  0.94897621  0.19841831
   0.20052910  0.92230897  0.24842242
   0.29581452  0.63966234  0.45247544
   0.04331780  0.56665818  0.40625131
   0.33028912  0.38046921  0.54184705
   0.32150638  0.77826865  0.73163724
   0.05607429  0.77381716  0.50359198
   0.32789913  1.06748965  0.75339354
   0.49077956  0.95281421  0.62242694
   0.22749059  0.95746087  0.60208786
   0.19656028  0.80026930 -0.11523609
  -0.01561601  0.73412128  0.94904915
   0.65113641  0.04164517  0.07107768
   0.84634621  0.25883683  0.21105854
   0.61878940  0.30445222 -0.02750936
   0.86715094  0.51731084  0.27275500
   0.03005445  0.45830346  0.12009648
   0.76944615  0.44510260  0.09841789
   0.68403278  0.24894040  0.36660822
   0.47590872  0.16932509  0.47255282
   0.71968992  0.07701367  0.50742831
   0.90573639  0.26961977  0.78921040
   0.63370201  0.31382410  0.56891771
   0.91810825  0.52457792  0.85280857
   1.11293512  0.54834796  0.58287150
   0.74731922  0.45846817  0.69712256
   0.73283057  0.11240913  0.90471772
   0.49031234  0.04706874  0.89412212
   0.53441352  0.53654580  0.03199933
   0.86152420  0.75322889  0.33162088
   0.54820455  0.81147136  0.04384602
   0.82960279  1.02077879  0.29838120
   0.93313321  0.88997685  0.13461272
   0.69809946  0.85265516  0.19952424
   0.79153090  0.57716115  0.45544394
   0.55040990  0.67471367  0.39416001
   0.56546616  0.57084296  0.56286207
   0.81203295  0.75421067  0.80244370
   0.70535669  0.80267871  0.52519302
   0.94951791  0.99930947  0.83372675
   1.01390258  0.83921285  0.68464027
   0.76583323  0.98188312  0.68947857
   0.73326109  0.68271149  0.96612040
   0.47541081  0.69760500  0.87497785
   0.63635410  0.81050962  0.69306054
   0.82457557  1.09028152  0.51647868
   1.03232683  0.33440966  0.27284874
   1.90961205  2.56719842 -0.40543394
  -0.10227491 -1.19342495  1.00758324
   0.44318827  0.18891247  0.01782013
   0.30158643  1.31017473 -0.07996863
  -0.19133149  1.47813886  0.03461107
   0.66387093  0.39179796  0.87161432
   0.57082319  0.58622043  0.74085970
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.087070    0.067068    0.365590
    -0.000000   11.585168    1.243358
    -0.000000    0.000000   14.398237
   Si   O    H 
    32    64    10
Direct configuration=  3899
   0.12115611  0.16756934  0.00827859
   0.35297849  0.12744693  0.39823745
   0.18570902  0.45601576  0.07891322
   0.66680361  0.07029878  0.37219703
   0.02370571 -0.20018778  0.19754705
   0.34733715  0.11284064  0.86115264
   0.17956137  0.37557662  0.59294675
   0.34954058  0.38925344  0.75899691
   0.13270107  0.74705444 -0.00718620
   0.40803331  0.61094677  0.36250327
   0.11434249  0.95475908  0.13755483
   0.36326907  0.88714432  0.27701854
   0.14526996  0.63328778  0.47865117
   0.29717223  0.69122374  0.82461639
   0.07001881  0.92021027  0.58723967
   0.35071806  0.93072029  0.68556341
   0.59319628  0.13421648  0.97018992
   0.83229546  0.19153763  0.32267013
   0.61030617  0.40254220  0.07603576
   0.94010584  0.39910936  0.21121158
   0.63070211  0.21613173  0.49214311
   0.89123913  0.13845680  0.87144178
   0.60653102  0.44516600  0.63930900
   0.81203762  0.41343136  0.80524552
   0.56256451  0.69196587 -0.02302433
   0.88938928  0.59290622  0.36210027
   0.58889354  0.91815133  0.12092547
   0.79679196  0.85417432  0.25070688
   0.65064710  0.66444929  0.48939833
   0.86751587  0.66992204  0.89487401
   0.66471427  0.90417545  0.62954853
   0.89384951  0.89244370  0.75844448
   0.10075755  0.09243610  0.10978238
   0.34505437  0.20698221  0.29822872
   0.18595881  0.33044237  0.00066998
   0.42638504  0.47227208  0.32077581
   0.55347543  0.34275249  0.16944924
   0.28134195  0.41314014  0.16115736
   0.20471525  0.12128694  0.42866024
  -0.06006177  0.22254445  0.38561809
  -0.00512308  0.03481770  0.53802252
   0.32889245  0.28169495  0.85459981
   0.05369846  0.29658629  0.56219917
   0.30486610  0.52717755  0.80354510
   0.50242925  0.37752201  0.72350035
   0.21173571  0.35652557  0.71079764
   0.21250801  0.08966840 -0.06157709
  -0.02690649  0.17226847  0.96523072
   0.20954428  0.60581206  0.03058726
   0.35690198  0.72960177  0.28073408
   0.16379591  0.85378951  0.06299480
   0.39629599  0.95972388  0.37223759
   0.46211920  0.95005901  0.19778557
   0.20278586  0.92220479  0.24706393
   0.29726093  0.63933379  0.45289831
   0.04371861  0.56660302  0.40732689
   0.33047893  0.38053626  0.54228200
   0.32109875  0.77994306  0.73005119
   0.05495339  0.77302889  0.50247823
   0.32758508  1.06564628  0.75311550
   0.49083900  0.95322288  0.62278651
   0.22753916  0.95686213  0.60378444
   0.19568991  0.79819329 -0.11415926
  -0.01696550  0.73340158  0.95034610
   0.65113856  0.04096655  0.07199898
   0.84838785  0.26058133  0.21044553
   0.61978338  0.30299344 -0.02576214
   0.86898507  0.51915242  0.27344440
   0.02994153  0.45937806  0.11911959
   0.76730838  0.44541280  0.09778988
   0.67969975  0.25138533  0.36675459
   0.47794911  0.16939723  0.47199856
   0.72039422  0.07882905  0.50621900
   0.90566842  0.26961036  0.78976878
   0.63239029  0.31344650  0.56859754
   0.91612725  0.52433558  0.85320513
   1.11295889  0.54789922  0.58308477
   0.74738402  0.45773837  0.69802128
   0.73453558  0.11218817  0.90349402
   0.48879291  0.04745491  0.89520575
   0.53617813  0.53834231  0.03201144
   0.86025575  0.75218428  0.33117852
   0.54984402  0.81083629  0.04598483
   0.82412444  1.02002522  0.29675880
   0.92300090  0.89484817  0.12355278
   0.69304373  0.85187053  0.19596610
   0.79179838  0.57823291  0.45717006
   0.54814251  0.67436472  0.39459135
   0.56450018  0.57083662  0.56303037
   0.81225385  0.75363936  0.80196968
   0.70573301  0.80257565  0.52536129
   0.94888748  0.99907123  0.83336986
   1.01257372  0.83844418  0.68518419
   0.76608546  0.97796818  0.69173263
   0.73164914  0.68345338  0.96638253
   0.47363976  0.69763709  0.87607127
   0.62865542  0.74681114  0.72718601
   0.83134150  1.08378927  0.51708433
   1.03191314  0.32823714  0.28151048
   1.89553218  2.56081673 -0.38218710
   0.30773562 -0.78628911  0.95331406
   0.44657747  0.19018323  0.02097069
   0.30323109  1.30596302 -0.08026972
  -0.17730680  1.47775499  0.04018775
   0.68741795  0.39617480  0.85423703
   0.56683625  0.59554563  0.74298943
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.139359   -0.075659    0.406228
    -0.000000   11.939509    1.384961
    -0.000000    0.000000   14.462785
   Si   O    H 
    32    64    10
Direct configuration=  3900
   0.12013347  0.16840378  0.00812232
   0.35231196  0.12628926  0.39749219
   0.18603535  0.45547474  0.07894907
   0.69407092  0.04351126  0.38659555
   0.03274836 -0.21842827  0.19109397
   0.34983732  0.11241396  0.85987158
   0.17866247  0.37499392  0.59345859
   0.34744274  0.38965577  0.75895395
   0.13305936  0.74506076 -0.00608693
   0.40811301  0.60910993  0.36217347
   0.11903585  0.95859297  0.13471871
   0.36472613  0.88760378  0.27911914
   0.14594758  0.63317799  0.47795005
   0.30072270  0.69220996  0.82463336
   0.06831106  0.92120633  0.58661546
   0.34938057  0.93050823  0.68704371
   0.59314234  0.13316764  0.96881522
   0.83367565  0.19243223  0.32165959
   0.60971743  0.40294188  0.07561777
   0.94088107  0.39947804  0.21098083
   0.62973851  0.21679254  0.49523581
   0.88991349  0.13852413  0.87180946
   0.60784339  0.44361436  0.63850318
   0.81164541  0.41348556  0.80593846
   0.56209638  0.69150033 -0.02289871
   0.88972992  0.59228083  0.36201779
   0.58680516  0.91692909  0.11981031
   0.78997658  0.85172104  0.25392447
   0.65061936  0.66464979  0.48922614
   0.86827776  0.66867043  0.89506772
   0.66637712  0.90627065  0.62967178
   0.89460209  0.89378841  0.75739755
   0.10222633  0.09067599  0.10975180
   0.34436479  0.20532651  0.29979748
   0.18635028  0.32824909  0.00136618
   0.42604089  0.47453528  0.32235105
   0.55414106  0.34297024  0.16846454
   0.28059937  0.41373710  0.16198767
   0.20487182  0.12166248  0.42899975
  -0.06273491  0.22233869  0.38648173
  -0.00528420  0.03251538  0.53924256
   0.32846747  0.28031449  0.85408978
   0.05608284  0.29781668  0.56260383
   0.30304944  0.52762667  0.80326316
   0.50052807  0.37945591  0.72244360
   0.21181770  0.35661378  0.71168387
   0.21162559  0.08932633 -0.06152603
  -0.02472636  0.17254118  0.96435101
   0.20943481  0.60750312  0.02952203
   0.35643417  0.73188384  0.28098682
   0.16195125  0.85296771  0.06283367
   0.39610777  0.95912041  0.37217092
   0.46366897  0.95097874  0.19694734
   0.20478197  0.92169729  0.24528412
   0.29924323  0.63913983  0.45279998
   0.04427992  0.56708708  0.40808899
   0.32932274  0.38120272  0.54261937
   0.32162099  0.78165160  0.72870531
   0.05441703  0.77203966  0.50135766
   0.32744540  1.06384943  0.75351941
   0.49129661  0.95349144  0.62312920
   0.22739272  0.95583915  0.60590015
   0.19578989  0.79660496 -0.11328696
  -0.01864684  0.73236841  0.95151740
   0.65034594  0.04015133  0.07292389
   0.85024145  0.26156529  0.21040289
   0.62135260  0.30181620 -0.02420378
   0.87106238  0.52036375  0.27452208
   0.02989698  0.46001714  0.11748024
   0.76551272  0.44584749  0.09654416
   0.67486582  0.25260928  0.36727175
   0.48022166  0.16955191  0.47155890
   0.72115717  0.08058393  0.50524206
   0.90464344  0.26960154  0.79106869
   0.63154207  0.31282051  0.56780669
   0.91418085  0.52369846  0.85345604
   1.11390203  0.54734474  0.58348333
   0.74763492  0.45631768  0.69908891
   0.73555074  0.11198659  0.90264719
   0.48793496  0.04804979  0.89601556
   0.53752710  0.54033159  0.03208398
   0.85994110  0.75124886  0.32979403
   0.55099603  0.81111503  0.04809842
   0.81917028  1.01889341  0.29607804
   0.91488598  0.89932515  0.11358809
   0.68537685  0.85133185  0.19111402
   0.79215187  0.57906040  0.45851945
   0.54699721  0.67394000  0.39479135
   0.56411171  0.56994492  0.56272617
   0.81324700  0.75360169  0.80149726
   0.70524402  0.80231665  0.52538303
   0.94831080  0.99898431  0.83326620
   1.01093155  0.83893796  0.68626531
   0.76704112  0.97458964  0.69329662
   0.73040523  0.68391342  0.96646198
   0.47255229  0.69817479  0.87678719
   0.62157756  0.69603462  0.75422382
   0.83224255  1.07597057  0.51609655
   1.03092958  0.32837729  0.28863597
   1.88563020  2.55588514 -0.36374443
   0.80233820 -0.59826359  0.90764283
   0.44636322  0.19031240  0.02132789
   0.30132713  1.30760910 -0.08016271
  -0.16977046  1.47566171  0.04936865
   0.70394438  0.39948507  0.84035888
   0.56824909  0.60609746  0.74373837
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.190881   -0.223753    0.445755
    -0.000000   12.299765    1.525144
    -0.000000    0.000000   14.526449
   Si   O    H 
    32    64    10
Direct configuration=  3901
   0.11967248  0.16885960  0.00802857
   0.35188342  0.12542900  0.39690629
   0.18672924  0.45556939  0.07919571
   0.71797291  0.02037385  0.39917411
   0.04081542 -0.23391340  0.18519957
   0.35165004  0.11172952  0.85846486
   0.17750102  0.37475461  0.59369421
   0.34525279  0.39045175  0.75873128
   0.13297231  0.74381947 -0.00497501
   0.40840987  0.60746258  0.36183895
   0.12292835  0.96194192  0.13214989
   0.36614189  0.88827797  0.28156551
   0.14606029  0.63360895  0.47795999
   0.30438128  0.69282008  0.82468630
   0.06716144  0.92232626  0.58536026
   0.34775735  0.92999534  0.68822385
   0.59335743  0.13261652  0.96797033
   0.83494340  0.19398971  0.32076718
   0.60927469  0.40363620  0.07454372
   0.94099816  0.40026933  0.21090720
   0.62857371  0.21722589  0.49808114
   0.88924916  0.13858208  0.87214866
   0.60945151  0.44203338  0.63741451
   0.81314889  0.41365980  0.80576856
   0.56171654  0.69093577 -0.02294355
   0.89076159  0.59217409  0.36194734
   0.58466013  0.91580481  0.11832389
   0.78481641  0.84970822  0.25747281
   0.65068949  0.66467337  0.48868613
   0.86846146  0.66781883  0.89489079
   0.66758056  0.90815277  0.62967545
   0.89535368  0.89447621  0.75665290
   0.10400502  0.08897516  0.11025117
   0.34343098  0.20362109  0.30155550
   0.18623383  0.32615463  0.00168802
   0.42608103  0.47777346  0.32370587
   0.55503968  0.34279179  0.16763329
   0.27956350  0.41458833  0.16203748
   0.20427401  0.12171746  0.42934939
  -0.06490265  0.22207596  0.38755374
  -0.00560260  0.03055996  0.54067731
   0.32800522  0.27826283  0.85408411
   0.05850530  0.29969929  0.56333100
   0.30159689  0.52769572  0.80327497
   0.49922516  0.38165414  0.72130882
   0.21291737  0.35697238  0.71168243
   0.21101535  0.08893285 -0.06197007
  -0.02249926  0.17304057  0.96397090
   0.20959126  0.60946501  0.02861440
   0.35594928  0.73467450  0.28109358
   0.16035928  0.85244160  0.06292601
   0.39585695  0.95870771  0.37216360
   0.46528721  0.95148793  0.19569613
   0.20576243  0.92117553  0.24344577
   0.30137179  0.63917080  0.45191097
   0.04492406  0.56773290  0.40846038
   0.32824699  0.38194115  0.54320610
   0.32222319  0.78298019  0.72741437
   0.05464023  0.77089240  0.50043706
   0.32659737  1.06223402  0.75413008
   0.49153440  0.95365672  0.62330770
   0.22830010  0.95481848  0.60740997
   0.19621425  0.79487642 -0.11214140
  -0.02026953  0.73078343  0.95248879
   0.64887693  0.03942363  0.07364385
   0.85241252  0.26311305  0.21058034
   0.62367162  0.30076216 -0.02233965
   0.87304379  0.52115332  0.27555023
   0.03004379  0.46030426  0.11583712
   0.76398237  0.44658272  0.09541934
   0.67033484  0.25273086  0.36821570
   0.48256108  0.16936664  0.47087088
   0.72204212  0.08174399  0.50454783
   0.90352585  0.26972934  0.79270769
   0.63115408  0.31240649  0.56768497
   0.91201360  0.52326965  0.85411242
   1.11406209  0.54769334  0.58381405
   0.74854631  0.45528466  0.69976995
   0.73677873  0.11154221  0.90143286
   0.48730608  0.04868805  0.89719484
   0.53851278  0.54154309  0.03200467
   0.85945553  0.75109348  0.32802182
   0.55150386  0.81164658  0.05017877
   0.81444380  1.01777152  0.29604209
   0.90884580  0.90220437  0.10580011
   0.67723873  0.85093502  0.18543418
   0.79256091  0.58064352  0.45994651
   0.54751862  0.67389600  0.39559680
   0.56473768  0.56841861  0.56294931
   0.81551919  0.75430484  0.80064226
   0.70522709  0.80222610  0.52540446
   0.94765738  0.99819968  0.83314803
   1.00866977  0.84014133  0.68765822
   0.76811314  0.97135251  0.69472810
   0.72916614  0.68443985  0.96628601
   0.47171945  0.69843798  0.87748851
   0.60843629  0.64246618  0.77414211
   0.83333506  1.06913689  0.51542843
   1.02781772  0.33398871  0.29185995
   1.87888829  2.55206926 -0.34897628
   0.36754148 -0.59412310  0.87142222
   0.45028236  0.18626120  0.01873595
   0.29556055  1.30886247 -0.08054482
  -0.16020578  1.47406299  0.05790525
   0.68187416  0.39679177  0.83997858
   0.57554687  0.62857332  0.74394334
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.240770   -0.373253    0.483857
    -0.000000   12.661960    1.664403
    -0.000000    0.000000   14.588629
   Si   O    H 
    32    64    10
Direct configuration=  3902
   0.11900293  0.16896842  0.00763336
   0.35164140  0.12424535  0.39617045
   0.18763401  0.45554937  0.07940740
   0.73839309  0.00050326  0.41035784
   0.04842263 -0.24682764  0.17919337
   0.35376467  0.11134452  0.85702815
   0.17690183  0.37469597  0.59388388
   0.34285302  0.39175582  0.75852820
   0.13280468  0.74255489 -0.00410551
   0.40903612  0.60640490  0.36151105
   0.12666203  0.96420967  0.13018126
   0.36699782  0.88906631  0.28383050
   0.14578223  0.63321738  0.47846747
   0.30802313  0.69381434  0.82518684
   0.06662940  0.92357151  0.58495341
   0.34674965  0.92961712  0.68958028
   0.59290490  0.13227597  0.96698205
   0.83548734  0.19584254  0.31968597
   0.60924986  0.40470552  0.07328497
   0.94070607  0.40103968  0.21127826
   0.62710031  0.21765568  0.50040112
   0.88865269  0.13854709  0.87221878
   0.61055109  0.44013001  0.63652430
   0.81576712  0.41424333  0.80538618
   0.56158781  0.69008793 -0.02237593
   0.89184125  0.59221377  0.36161555
   0.58179262  0.91542027  0.11685961
   0.78034132  0.84757121  0.26050984
   0.65102087  0.66455693  0.48821553
   0.86803264  0.66740629  0.89496750
   0.66861803  0.91070022  0.62870498
   0.89650771  0.89526551  0.75638803
   0.10611016  0.08797069  0.11021739
   0.34233180  0.20138186  0.30335235
   0.18570753  0.32422163  0.00201893
   0.42544089  0.48243162  0.32511337
   0.55568337  0.34348333  0.16636108
   0.27855076  0.41551662  0.16184452
   0.20436051  0.12191755  0.43030061
  -0.06731177  0.22171790  0.38903068
  -0.00748181  0.02813832  0.54214332
   0.32720556  0.27490594  0.85310544
   0.06129456  0.30231292  0.56462087
   0.30160261  0.53059238  0.80146236
   0.49889099  0.38340084  0.72038909
   0.21458176  0.35750562  0.71138224
   0.21175358  0.08858017 -0.06273049
  -0.02164149  0.17400498  0.96272183
   0.20978653  0.61135188  0.02764380
   0.35496015  0.73753675  0.28120690
   0.15908180  0.85198607  0.06383171
   0.39597886  0.95911846  0.37138132
   0.46640919  0.95143833  0.19506575
   0.20714406  0.92102122  0.24140576
   0.30386195  0.63940583  0.45070294
   0.04506692  0.56863950  0.40868436
   0.32656065  0.38261614  0.54421610
   0.32331316  0.78431509  0.72605420
   0.05499662  0.76978163  0.49987924
   0.32574156  1.06007310  0.75470917
   0.49161601  0.95360087  0.62351978
   0.22930710  0.95391135  0.60909349
   0.19752192  0.79243533 -0.11067277
  -0.02148544  0.72854002  0.95413264
   0.64687280  0.03828571  0.07419468
   0.85499590  0.26439565  0.21105595
   0.62606747  0.30067973 -0.02041199
   0.87593409  0.52137489  0.27674896
   0.02956692  0.46072372  0.11476926
   0.76237385  0.44788957  0.09397760
   0.66813541  0.25249846  0.36937150
   0.48498184  0.16884593  0.47009001
   0.72318161  0.08328589  0.50397985
   0.90223147  0.26887545  0.79424041
   0.63110945  0.31289523  0.56781949
   0.90999797  0.52370854  0.85544453
   1.11513691  0.54811733  0.58397374
   0.74804102  0.45497551  0.69973794
   0.73863269  0.11163070  0.89967253
   0.48689861  0.04954659  0.89808773
   0.53929550  0.54243190  0.03226069
   0.85858010  0.75161662  0.32589596
   0.55218207  0.81144174  0.05196935
   0.80944691  1.01712072  0.29668458
   0.90461486  0.90473650  0.09921596
   0.67065321  0.85090895  0.18020760
   0.79257101  0.58253857  0.46090917
   0.54827858  0.67395550  0.39638633
   0.56562850  0.56735776  0.56422346
   0.81672139  0.75452263  0.79926142
   0.70518208  0.80203153  0.52497635
   0.94674952  0.99789080  0.83337531
   1.00571542  0.84149838  0.68839237
   0.76864618  0.96825131  0.69652617
   0.72669567  0.68386398  0.96599688
   0.47037545  0.69898734  0.87904923
   0.73924077  0.63778670  0.90909158
   0.84594990  1.06288833  0.51835308
   1.02522161  0.34485995  0.28879036
   1.87992257  2.54935789 -0.32290182
   0.00479887 -0.74854973  0.86663455
   0.46417541  0.18628746  0.01154799
   0.28776071  1.28727074 -0.08388342
  -0.14035009  1.47090384  0.05715086
   0.59916579  0.39091518  0.86292645
   0.46176063  0.55949110  0.60677479
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.288725   -0.523432    0.520980
    -0.000000   13.022757    1.802440
    -0.000000    0.000000   14.649452
   Si   O    H 
    32    64    10
Direct configuration=  3903
   0.11852760  0.16839515  0.00755080
   0.35210123  0.12371854  0.39545524
   0.18842536  0.45550394  0.07996071
   0.75611691 -0.01582059  0.41966942
   0.05574684 -0.25743630  0.17318889
   0.35620791  0.11026080  0.85551298
   0.17716099  0.37475584  0.59420026
   0.34098668  0.39273321  0.75868429
   0.13267705  0.74112874 -0.00349184
   0.40999859  0.60589823  0.36130961
   0.12987164  0.96550107  0.12850147
   0.36743887  0.88964501  0.28544276
   0.14533370  0.63269128  0.47886344
   0.31230799  0.69538731  0.82570945
   0.06642828  0.92502525  0.58515815
   0.34566807  0.92958646  0.69082430
   0.59201135  0.13211436  0.96626962
   0.83519165  0.19760788  0.31856952
   0.60878928  0.40594859  0.07229632
   0.94017103  0.40154328  0.21218035
   0.62519697  0.21835214  0.50214878
   0.88960284  0.13900314  0.87237749
   0.61163511  0.43787891  0.63543876
   0.81675974  0.41505352  0.80527736
   0.56157537  0.68891262 -0.02214270
   0.89339935  0.59273680  0.36128966
   0.57916279  0.91545139  0.11541941
   0.77562690  0.84522723  0.26355104
   0.65142329  0.66436321  0.48736770
   0.86704856  0.66729443  0.89527579
   0.66889397  0.91310638  0.62780187
   0.89725493  0.89566016  0.75665845
   0.10753826  0.08775293  0.10930883
   0.34139682  0.19852309  0.30559863
   0.18511439  0.32169872  0.00269819
   0.42453500  0.48819993  0.32667252
   0.55572722  0.34429550  0.16495928
   0.27749948  0.41653546  0.16185729
   0.20389060  0.12132994  0.43129920
  -0.06889867  0.22044274  0.39085551
  -0.01099619  0.02529249  0.54353610
   0.32570297  0.27303058  0.85167661
   0.06391331  0.30573689  0.56642024
   0.30219861  0.53324614  0.79944163
   0.49879732  0.38443449  0.71903424
   0.21497356  0.35869836  0.71069436
   0.21257938  0.08925390 -0.06409721
  -0.02098561  0.17399628  0.96063973
   0.20894735  0.61338413  0.02707662
   0.35383065  0.74107080  0.28117516
   0.15725863  0.85091424  0.06497795
   0.39702090  0.95977327  0.37010127
   0.46718314  0.95058309  0.19477647
   0.20787406  0.92037605  0.23923504
   0.30613376  0.63907612  0.44894305
   0.04456101  0.57009248  0.40921786
   0.32622623  0.38319942  0.54483905
   0.32558327  0.78515487  0.72534273
   0.05512287  0.76843942  0.49963312
   0.32476650  1.05739613  0.75561984
   0.49288159  0.95354559  0.62388566
   0.23038603  0.95234080  0.61053741
   0.19868723  0.78912441 -0.10916756
  -0.02280503  0.72621279  0.95595837
   0.64419452  0.03712576  0.07452001
   0.85769407  0.26546354  0.21219706
   0.62850374  0.30094521 -0.01892214
   0.87950585  0.52259855  0.27758353
   0.02975653  0.46093687  0.11412448
   0.76217273  0.44858231  0.09240846
   0.66682968  0.25131103  0.37096879
   0.48751152  0.16766273  0.46927332
   0.72379258  0.08431580  0.50451703
   0.90081122  0.26763643  0.79640824
   0.63086371  0.31360712  0.56798838
   0.90697330  0.52409763  0.85636006
   1.11657856  0.54859333  0.58398559
   0.74579451  0.45419154  0.69832467
   0.74044953  0.11184988  0.89789197
   0.48742630  0.05091520  0.89900611
   0.54045945  0.54357246  0.03180405
   0.85735575  0.75265812  0.32371007
   0.55250400  0.81076390  0.05372209
   0.80407253  1.01706256  0.29793796
   0.90206558  0.90700803  0.09367143
   0.66766516  0.85083126  0.17654144
   0.79332188  0.58501949  0.46154875
   0.54855513  0.67386504  0.39722916
   0.56673358  0.56732423  0.56612549
   0.81831361  0.75518081  0.79937732
   0.70612013  0.80182735  0.52404315
   0.94567222  0.99785577  0.83354392
   1.00371787  0.84311352  0.68788555
   0.76946704  0.96552735  0.69872315
   0.72847269  0.68393980  0.96417678
   0.46878791  0.69943522  0.88059085
   0.77824926  0.63583480  1.05988235
   0.88068013  1.05615397  0.52743391
   1.01691558  0.36563031  0.26853494
   1.90565943  2.54645315 -0.28243617
  -0.33073119 -1.05305716  0.85610671
   0.49563990  0.17855479  0.00608262
   0.29093790  1.27549682 -0.08850054
  -0.13045836  1.45679459  0.06494468
   0.55775769  0.38640734  0.87782332
   0.36005364  0.49550547  0.47978572
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.334721   -0.672900    0.557143
    -0.000000   13.379550    1.939352
    -0.000000    0.000000   14.708667
   Si   O    H 
    32    64    10
Direct configuration=  3904
   0.11753047  0.16746610  0.00698410
   0.35237761  0.12353919  0.39474022
   0.18821340  0.45545974  0.08054791
   0.77172690 -0.02933985  0.42770691
   0.06189370 -0.26543888  0.16747101
   0.35794797  0.10865758  0.85433161
   0.17853767  0.37485534  0.59502938
   0.33955023  0.39381251  0.75863288
   0.13315210  0.73939480 -0.00256300
   0.41151135  0.60505873  0.36146501
   0.13366798  0.96637068  0.12691928
   0.36712297  0.89045841  0.28697957
   0.14459511  0.63165029  0.47873287
   0.31687264  0.69748940  0.82636530
   0.06697776  0.92646737  0.58566123
   0.34488723  0.92988790  0.69237872
   0.59394838  0.12957674  0.96434901
   0.83518831  0.19934419  0.31764564
   0.60838161  0.40712945  0.07231438
   0.93573891  0.40362208  0.20948816
   0.62324091  0.21919340  0.50325040
   0.89141307  0.14012834  0.87215798
   0.61270990  0.43576787  0.63482486
   0.81671312  0.41557239  0.80522865
   0.56140939  0.68796963 -0.02232968
   0.89494563  0.59282894  0.36110867
   0.57622586  0.91610173  0.11415800
   0.77097874  0.84217678  0.26610432
   0.65158437  0.66387127  0.48671876
   0.86543925  0.66748708  0.89612967
   0.66828891  0.91535747  0.62672442
   0.89774851  0.89558560  0.75738435
   0.10918197  0.08716757  0.10853447
   0.34067887  0.19535978  0.30769994
   0.18533614  0.31939341  0.00344701
   0.42373770  0.49478014  0.32781361
   0.55600232  0.34585608  0.16296870
   0.27673587  0.41826334  0.16141210
   0.20375057  0.12040774  0.43237069
  -0.07028577  0.21765825  0.39277171
  -0.01449049  0.02295811  0.54406778
   0.32349833  0.27141076  0.84981825
   0.06739893  0.30970742  0.56821897
   0.30358082  0.53553183  0.79772269
   0.49864336  0.38604271  0.71768825
   0.21557903  0.36026391  0.70932802
   0.21446526  0.08985159 -0.06517555
  -0.02037654  0.17337936  0.95805991
   0.20697438  0.61525728  0.02691149
   0.35228832  0.74482279  0.28058415
   0.15456053  0.84922693  0.06732440
   0.39801388  0.96051932  0.36889253
   0.46830923  0.94994654  0.19398838
   0.20701610  0.91960886  0.23667565
   0.30777220  0.63911389  0.44727108
   0.04351502  0.57173019  0.40965803
   0.32535903  0.38402014  0.54474817
   0.32772070  0.78582379  0.72466508
   0.05394316  0.76626568  0.49976362
   0.32343896  1.05430029  0.75660856
   0.49442848  0.95302747  0.62378818
   0.23142911  0.95059147  0.61141517
   0.20007696  0.78496271 -0.10794705
  -0.02319021  0.72329338  0.95825660
   0.64134923  0.03538923  0.07507668
   0.85961304  0.26700389  0.21290296
   0.63173261  0.30262215 -0.01849025
   0.88288767  0.52499963  0.27818821
   0.02970500  0.46094974  0.11343848
   0.76385423  0.44931704  0.09161193
   0.66715098  0.25009448  0.37327805
   0.48908960  0.16619343  0.46833938
   0.72389978  0.08490653  0.50535354
   0.89995775  0.26611160  0.79882736
   0.62984591  0.31461034  0.56745116
   0.90412565  0.52449753  0.85887679
   1.11788205  0.54929525  0.58358114
   0.74122769  0.45365921  0.69647367
   0.74245418  0.11227636  0.89585637
   0.48807583  0.05238972  0.89909308
   0.54178089  0.54521361  0.03095160
   0.85646166  0.75526376  0.32095595
   0.55390611  0.80998725  0.05475862
   0.79842960  1.01667136  0.30051460
   0.90049839  0.90974971  0.08866135
   0.66761197  0.85070005  0.17458311
   0.79483170  0.58823425  0.46086895
   0.55069818  0.67372495  0.39843731
   0.56834837  0.56693247  0.56773963
   0.82073234  0.75595347  0.79972201
   0.70731817  0.80161556  0.52255089
   0.94367951  0.99818281  0.83347955
   1.00248466  0.84530342  0.68679922
   0.77070842  0.96347665  0.70087538
   0.72778853  0.68363563  0.96248497
   0.46642780  0.69919136  0.88219072
   0.81198940  0.63684836  1.20271679
   0.92912192  1.04881954  0.54368913
   1.14457814  0.32952678  0.34850998
   1.94890512  2.54917876 -0.26600370
  -0.61257114 -1.46181462  0.85059903
   0.42338909  0.23555294  0.04658643
   0.29771649  1.27511555 -0.08508805
  -0.12640534  1.43886125  0.07376284
   0.55105330  0.38776279  0.87978124
   0.26048385  0.42535259  0.37775853
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.378250   -0.821013    0.592215
    -0.000000   13.732047    2.074966
    -0.000000    0.000000   14.766358
   Si   O    H 
    32    64    10
Direct configuration=  3905
   0.11627292  0.16617665  0.00669712
   0.35189787  0.12310853  0.39480860
   0.18722753  0.45506362  0.08125047
   0.78537372 -0.04049052  0.43527043
   0.06816683 -0.27113007  0.16205871
   0.35877870  0.10682925  0.85352121
   0.18040414  0.37489867  0.59597503
   0.33838134  0.39400285  0.75783096
   0.13365585  0.73762734 -0.00146313
   0.41304769  0.60419022  0.36182759
   0.13778558  0.96746566  0.12568777
   0.36676552  0.89118048  0.28757484
   0.14401836  0.63027889  0.47915148
   0.32080718  0.70035148  0.82726854
   0.06866401  0.92708337  0.58712430
   0.34443356  0.93039228  0.69365071
   0.59645581  0.12694125  0.96262946
   0.83519392  0.20146065  0.31653048
   0.60848103  0.40784638  0.07260609
   0.93227655  0.40502030  0.20742818
   0.62053962  0.22048012  0.50373523
   0.89376241  0.14160325  0.87174379
   0.61353642  0.43364300  0.63439699
   0.81579554  0.41613034  0.80543062
   0.56124885  0.68717801 -0.02274117
   0.89628616  0.59278885  0.36111713
   0.57388314  0.91704863  0.11274568
   0.76686788  0.83966047  0.26793258
   0.65122221  0.66246786  0.48598169
   0.86345059  0.66801024  0.89694761
   0.66626095  0.91714881  0.62573957
   0.89794192  0.89568945  0.75799160
   0.11115945  0.08603133  0.10789963
   0.33915406  0.19156933  0.30939704
   0.18566434  0.31682129  0.00417483
   0.42298469  0.50134566  0.32902097
   0.55547772  0.34692599  0.16055245
   0.27587018  0.42032202  0.16076804
   0.20399875  0.11854920  0.43320434
  -0.07124140  0.21415182  0.39476691
  -0.01256281  0.01880328  0.54372990
   0.32250455  0.26893658  0.84820898
   0.07028208  0.31394344  0.56992658
   0.30519982  0.53680519  0.79681522
   0.49856691  0.38794153  0.71645433
   0.21560639  0.36195294  0.70783433
   0.21663963  0.09039905 -0.06621894
  -0.01993600  0.17283719  0.95558369
   0.20417335  0.61762164  0.02747452
   0.35097284  0.74922403  0.27992018
   0.15121941  0.84772929  0.06990684
   0.39834455  0.96161366  0.36711711
   0.46899330  0.94858434  0.19314542
   0.20542333  0.91841338  0.23392100
   0.30831429  0.63934539  0.44565818
   0.04179745  0.57333437  0.40995784
   0.32332188  0.38482861  0.54525469
   0.33020044  0.78658418  0.72366124
   0.05224946  0.76427637  0.50001040
   0.32241182  1.05079038  0.75714252
   0.49661066  0.95235754  0.62398715
   0.23172753  0.94823009  0.61254240
   0.20158768  0.78004418 -0.10661223
  -0.02321027  0.71945938  0.96145105
   0.63813375  0.03344385  0.07538359
   0.86122443  0.26825178  0.21396871
   0.63391856  0.30462539 -0.01860322
   0.88615281  0.52650220  0.27877344
   0.03032505  0.46099480  0.11266417
   0.76743547  0.45008817  0.09084546
   0.66743757  0.24912363  0.37541460
   0.49001301  0.16460565  0.46732423
   0.72271120  0.08476176  0.50695076
   0.89967414  0.26462736  0.80115704
   0.62843855  0.31532418  0.56630619
   0.90136874  0.52495098  0.86208941
   1.11893637  0.54988538  0.58265432
   0.73646200  0.45265840  0.69405649
   0.74427231  0.11329720  0.89405048
   0.48778156  0.05450839  0.89918829
   0.54214910  0.54706043  0.02958313
   0.85593404  0.75905465  0.31860632
   0.55509360  0.80857745  0.05546845
   0.79358141  1.01599508  0.30295248
   0.89941570  0.91289913  0.08444015
   0.66944377  0.85056537  0.17503974
   0.79556146  0.59226763  0.45977078
   0.55232557  0.67399157  0.39963770
   0.57064920  0.56669569  0.56945080
   0.82459744  0.75743912  0.79944945
   0.70888035  0.80120102  0.52060105
   0.94163058  0.99847131  0.83311304
   1.00209365  0.84778008  0.68521646
   0.77211894  0.96187689  0.70249792
   0.72590055  0.68284741  0.96096204
   0.46400497  0.69908476  0.88379726
   0.82140268  0.64092183  1.32982485
   0.88752225  1.09298362  0.55442222
   1.28605124  0.32152654  0.41931030
   1.99851752  2.54238981 -0.26251424
  -0.86295642 -1.95610744  0.84211640
   0.35699348  0.27700015  0.08226047
   0.29292798  1.28475926 -0.07773260
  -0.14617724  1.41694356  0.08104855
   0.58233620  0.39847167  0.86582116
   0.15443051  0.34643551  0.27649627
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.419644   -0.966321    0.625724
    -0.000000   14.079130    2.209113
    -0.000000    0.000000   14.822573
   Si   O    H 
    32    64    10
Direct configuration=  3906
   0.11386830  0.16441349  0.00672382
   0.35121741  0.12225854  0.39546783
   0.18553535  0.45427533  0.08174508
   0.79762535 -0.05012310  0.44199375
   0.07380189 -0.27520991  0.15670360
   0.35953135  0.10483605  0.85308776
   0.18362690  0.37513447  0.59658500
   0.33760024  0.39404400  0.75701311
   0.13400330  0.73615510 -0.00068319
   0.41432329  0.60315675  0.36260465
   0.14168374  0.96862190  0.12487530
   0.36626424  0.89234582  0.28761721
   0.14274147  0.62875040  0.47988420
   0.32479753  0.70354197  0.82813649
   0.07065218  0.92775318  0.58878296
   0.34420250  0.93067924  0.69461457
   0.59889475  0.12431077  0.96117657
   0.83551808  0.20378212  0.31556051
   0.60820516  0.40889079  0.07261325
   0.92990589  0.40585542  0.20618041
   0.61748243  0.22160662  0.50361073
   0.89628590  0.14313276  0.87084187
   0.61409654  0.43143778  0.63406469
   0.81472048  0.41648967  0.80584000
   0.56111693  0.68632402 -0.02307992
   0.89435535  0.59241410  0.36112524
   0.57188112  0.91775733  0.11156743
   0.76336446  0.83790563  0.26875719
   0.64990013  0.65982952  0.48644681
   0.86066032  0.66865765  0.89807674
   0.66355976  0.91892777  0.62519690
   0.89780787  0.89543686  0.75831335
   0.11240524  0.08430683  0.10745990
   0.33827803  0.18828853  0.31018677
   0.18494307  0.31476385  0.00531901
   0.42255711  0.50842969  0.32996034
   0.55537987  0.34749394  0.15796598
   0.27543000  0.42302060  0.16014076
   0.20447903  0.11610613  0.43424089
  -0.07231996  0.21003834  0.39545504
  -0.01077860  0.01506210  0.54285870
   0.32132489  0.26644485  0.84743504
   0.07250488  0.31842898  0.57163459
   0.30679343  0.53844316  0.79602114
   0.49838683  0.38961731  0.71469174
   0.21374428  0.36428765  0.70610836
   0.21959995  0.09096876 -0.06768051
  -0.01813148  0.17263733  0.95326511
   0.20118285  0.62006977  0.02829035
   0.34937599  0.75472460  0.27911651
   0.14807403  0.84702132  0.07301667
   0.39805194  0.96336271  0.36418288
   0.46953461  0.94679331  0.19296613
   0.20403206  0.91734120  0.23076855
   0.30845427  0.63953053  0.44270121
   0.03835812  0.57542600  0.40966484
   0.32056570  0.38557741  0.54587578
   0.33273235  0.78754414  0.72313894
   0.04942601  0.76188891  0.49968832
   0.32316996  1.04765836  0.75779566
   0.49851884  0.95161477  0.62443666
   0.23215398  0.94549460  0.61349835
   0.20414360  0.77545222 -0.10547711
  -0.02300184  0.71569500  0.96450516
   0.63423444  0.03196559  0.07486589
   0.86155106  0.26928854  0.21543051
   0.63614993  0.30675521 -0.01976780
   0.88867086  0.53045029  0.28094803
   0.03129282  0.46027390  0.11298632
   0.77149241  0.45132511  0.08925627
   0.66774806  0.24784324  0.37802190
   0.49177472  0.16266902  0.46649632
   0.72068492  0.08455442  0.50956943
   0.89950972  0.26241392  0.80343660
   0.62628510  0.31604657  0.56519136
   0.89854784  0.52485482  0.86562468
   1.11987762  0.55085244  0.58075286
   0.73268384  0.45208007  0.69131803
   0.74475947  0.11443271  0.89310561
   0.48706679  0.05749808  0.89954444
   0.54190520  0.54928604  0.02760622
   0.85335712  0.76233327  0.31538493
   0.55747301  0.80715578  0.05630044
   0.78823034  1.01473983  0.30533472
   0.89819421  0.91544229  0.08013860
   0.67224597  0.85086800  0.17616937
   0.79685742  0.59745408  0.45455789
   0.55342288  0.67425947  0.40124277
   0.57393742  0.56664544  0.57118620
   0.82825486  0.75861627  0.79930116
   0.71076937  0.80008257  0.51839829
   0.93988435  0.99883216  0.83238830
   1.00221864  0.85104601  0.68283095
   0.77431455  0.96097666  0.70450206
   0.72346345  0.68173700  0.95982499
   0.46154850  0.69894722  0.88624567
   0.97986412  0.57907233  1.51351499
   0.85803632  1.13310316  0.56497269
   1.41858136  0.32711066  0.49252083
   2.01415235  2.52436768 -0.25133083
  -1.10283934 -1.52662244  0.83704856
   0.28801211  0.31205344  0.11862333
   0.30998288  1.29791731 -0.08749577
  -0.16491197  1.39421996  0.09426091
   0.65713337  0.41882246  0.84534954
   0.01340598  0.28408649  0.17799062
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.459075   -1.108262    0.659301
    -0.000000   14.419044    2.341337
    -0.000000    0.000000   14.877313
   Si   O    H 
    32    64    10
Direct configuration=  3907
   0.11156881  0.16292232  0.00662207
   0.35029529  0.12128747  0.39647836
   0.18308944  0.45364796  0.08239371
   0.80842982 -0.05800243  0.44747761
   0.07895936 -0.27844366  0.15175218
   0.35966508  0.10321249  0.85267120
   0.18711557  0.37531688  0.59763905
   0.33759463  0.39424211  0.75649471
   0.13421542  0.73478191 -0.00012932
   0.41548722  0.60259318  0.36399901
   0.14500851  0.96927836  0.12409781
   0.36589766  0.89351413  0.28731036
   0.14179206  0.62745538  0.48114071
   0.32843830  0.70595066  0.82883840
   0.07248928  0.92817379  0.59012863
   0.34405929  0.93079958  0.69529262
   0.60145350  0.12169731  0.95997168
   0.83532082  0.20559508  0.31523271
   0.60850396  0.40994903  0.07237127
   0.92829819  0.40669229  0.20519349
   0.61508473  0.22283992  0.50328473
   0.89856451  0.14456707  0.86964590
   0.61446443  0.42926671  0.63359020
   0.81221627  0.41592237  0.80580736
   0.56120569  0.68545122 -0.02333988
   0.89269415  0.59208680  0.36116876
   0.56974265  0.91805374  0.11026502
   0.76001214  0.83695851  0.26909881
   0.64896412  0.65749793  0.48682390
   0.85850723  0.66890766  0.89927286
   0.66117061  0.92102804  0.62444733
   0.89797102  0.89514578  0.75856222
   0.11389728  0.08324665  0.10651685
   0.33687583  0.18638094  0.30982191
   0.18389526  0.31270489  0.00703778
   0.42317115  0.51420300  0.33093749
   0.55527865  0.34744905  0.15624618
   0.27522372  0.42483723  0.15914987
   0.20491885  0.11387595  0.43517546
  -0.07324279  0.20659726  0.39586305
  -0.00914411  0.01143794  0.54175644
   0.32070033  0.26468753  0.84691410
   0.07372389  0.32199967  0.57314528
   0.30831917  0.53979737  0.79557937
   0.49800754  0.39132333  0.71281785
   0.21160216  0.36672536  0.70428864
   0.22224914  0.09188351 -0.06861844
  -0.01604964  0.17265219  0.95171273
   0.19885778  0.62291060  0.02930091
   0.34777249  0.75966716  0.27832796
   0.14502207  0.84613365  0.07597048
   0.39765802  0.96485772  0.36155835
   0.47002803  0.94509083  0.19235438
   0.20267792  0.91719483  0.22711667
   0.30844668  0.63964775  0.43974747
   0.03504064  0.57735122  0.40944323
   0.31921137  0.38604015  0.54558697
   0.33597003  0.78866096  0.72304172
   0.04821295  0.76000971  0.49930783
   0.32479414  1.04463047  0.75858497
   0.50014780  0.95067508  0.62496422
   0.23221828  0.94317357  0.61460070
   0.20667259  0.77132924 -0.10457650
  -0.02331801  0.71264691  0.96753409
   0.63170724  0.03088907  0.07355099
   0.86137570  0.27043008  0.21683589
   0.63858802  0.30915905 -0.02098719
   0.89100809  0.53370440  0.28310521
   0.03277186  0.45939783  0.11358077
   0.77478826  0.45186647  0.08780180
   0.66740538  0.24714046  0.38060995
   0.49276776  0.16065810  0.46598132
   0.71936701  0.08522123  0.51171149
   0.89973569  0.26044413  0.80589005
   0.62458108  0.31615210  0.56477883
   0.89626295  0.52641201  0.86889636
   1.12050772  0.55194837  0.57806359
   0.73036801  0.45116958  0.68938846
   0.74475625  0.11512107  0.89221894
   0.48748122  0.06111895  0.89970382
   0.54218355  0.55109338  0.02612696
   0.85106847  0.76528715  0.31203402
   0.55852483  0.80575060  0.05698562
   0.78372566  1.01361724  0.30777571
   0.89789461  0.91737021  0.07637699
   0.67531852  0.85090404  0.17772971
   0.79751265  0.60187588  0.45052690
   0.55480845  0.67411260  0.40274072
   0.57717589  0.56557793  0.57350157
   0.83188971  0.76010578  0.79958473
   0.71254278  0.79877945  0.51668681
   0.93770764  0.99853235  0.83135763
   1.00227221  0.85510777  0.68057268
   0.77664254  0.95978036  0.70609363
   0.72076591  0.67966957  0.95888114
   0.46026457  0.69902052  0.88857896
   1.12335043  0.52563139  1.68061622
   0.82591705  1.16492934  0.56977120
   1.52790694  0.33786530  0.56531743
   2.02681580  2.50758463 -0.24122180
  -1.28647835 -1.15577214  0.83199856
   0.22554523  0.34941436  0.14955521
   0.32606991  1.30534150 -0.10203064
  -0.19164585  1.37845065  0.10281070
   0.73045692  0.43731319  0.82714028
  -0.11915691  0.23095570  0.09252876
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.496322   -1.246569    0.692332
    -0.000000   14.750404    2.471280
    -0.000000    0.000000   14.930482
   Si   O    H 
    32    64    10
Direct configuration=  3908
   0.10962604  0.16175175  0.00640349
   0.34953326  0.12003186  0.39833363
   0.18084252  0.45309317  0.08265123
   0.81749853 -0.06461574  0.45202693
   0.08398653 -0.28062107  0.14716352
   0.35950636  0.10164157  0.85233415
   0.18991012  0.37565755  0.59915430
   0.33792673  0.39444661  0.75643770
   0.13367759  0.73329068 -0.00003983
   0.41628228  0.60287416  0.36570567
   0.14809107  0.96961698  0.12344996
   0.36543206  0.89435364  0.28702798
   0.14110218  0.62642464  0.48235187
   0.33120615  0.70829216  0.82971714
   0.07421017  0.92837862  0.59109279
   0.34398861  0.93071500  0.69548424
   0.60396201  0.11922198  0.95890762
   0.83444958  0.20707817  0.31554245
   0.60947033  0.41149986  0.07156967
   0.92691125  0.40738118  0.20463757
   0.61289843  0.22331874  0.50253070
   0.90008899  0.14584743  0.86836957
   0.61498110  0.42781132  0.63311647
   0.81319903  0.41544835  0.80436821
   0.56088708  0.68478342 -0.02354966
   0.89121149  0.59204942  0.36140848
   0.56797943  0.91829556  0.10889880
   0.75693788  0.83621812  0.26931932
   0.64822242  0.65523744  0.48672285
   0.85651120  0.66872532  0.90065132
   0.65867946  0.92285998  0.62396442
   0.89785126  0.89503712  0.75868657
   0.11537320  0.08233186  0.10535199
   0.33552184  0.18528639  0.30852815
   0.18291544  0.31069589  0.00850104
   0.42362148  0.51899367  0.33139682
   0.55526429  0.34691328  0.15545966
   0.27494747  0.42617383  0.15744162
   0.20598044  0.11131775  0.43668476
  -0.07456977  0.20363737  0.39614618
  -0.00811931  0.00765128  0.54130529
   0.32043466  0.26395070  0.84621988
   0.07466289  0.32483057  0.57404134
   0.30959068  0.54032724  0.79544733
   0.49669350  0.39303026  0.71161389
   0.20960791  0.36851481  0.70323131
   0.22513144  0.09279346 -0.07004699
  -0.01437425  0.17240064  0.95055269
   0.19692705  0.62510500  0.03000363
   0.34658153  0.76417169  0.27772799
   0.14197406  0.84500432  0.07875274
   0.39657730  0.96618641  0.35942832
   0.47118244  0.94294466  0.19123432
   0.20197879  0.91804949  0.22371894
   0.30782631  0.63948336  0.43742536
   0.03191408  0.57912950  0.40952326
   0.31799385  0.38611746  0.54559767
   0.33849041  0.79001223  0.72275415
   0.04783005  0.75806322  0.49937846
   0.32706825  1.04265595  0.75938717
   0.50162485  0.95017584  0.62633410
   0.23203367  0.94149185  0.61604427
   0.21007929  0.76844284 -0.10371554
  -0.02304526  0.71001702  0.97006202
   0.62905865  0.03009380  0.07208001
   0.86159797  0.27201416  0.21832687
   0.64034396  0.31151301 -0.02252021
   0.89346560  0.53657722  0.28465447
   0.03348318  0.45837369  0.11500746
   0.77683677  0.45204270  0.08711719
   0.66811715  0.24606690  0.38335834
   0.49343592  0.15903360  0.46559502
   0.71812386  0.08609264  0.51423747
   0.89908802  0.25842552  0.80803207
   0.62241194  0.31681420  0.56445731
   0.89446237  0.52777025  0.87174088
   1.12206930  0.55310518  0.57546907
   0.72898208  0.45073717  0.68789245
   0.74436235  0.11515403  0.89200764
   0.48867992  0.06423360  0.89962746
   0.54252459  0.55323856  0.02473591
   0.84861004  0.76778014  0.30879286
   0.55975354  0.80459157  0.05720525
   0.78048041  1.01247696  0.31058031
   0.89773525  0.91914372  0.07307554
   0.67905995  0.85119665  0.17946759
   0.79763702  0.60573969  0.44729415
   0.55577661  0.67354279  0.40454098
   0.58084539  0.56471560  0.57507929
   0.83549226  0.76191411  0.79982073
   0.71458855  0.79752744  0.51514827
   0.93637530  0.99791060  0.83056552
   1.00241807  0.85865480  0.67903485
   0.77824390  0.95830591  0.70751218
   0.71815573  0.67771568  0.95770826
   0.45942688  0.69902590  0.89090985
   1.24389892  0.48145498  1.82654274
   0.79368044  1.18583697  0.57091846
   1.62753666  0.34306460  0.63012734
   2.03913947  2.49229024 -0.23348916
  -1.43964448 -0.83993736  0.82553605
   0.17680688  0.38626565  0.18116269
   0.34037996  1.30551224 -0.11532850
  -0.22050998  1.37367353  0.10633301
   0.71174534  0.47526892  0.83403166
  -0.23836287  0.18379427  0.01993068
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.530790   -1.381698    0.724900
    -0.000000   15.073418    2.599448
    -0.000000    0.000000   14.982611
   Si   O    H 
    32    64    10
Direct configuration=  3909
   0.10770947  0.16083553  0.00630140
   0.34923255  0.11884856  0.40023923
   0.17948187  0.45246026  0.08265206
   0.82537423 -0.06992610  0.45619065
   0.08882752 -0.28186375  0.14299645
   0.35881538  0.09984561  0.85224435
   0.19228084  0.37633394  0.59991583
   0.33828693  0.39461245  0.75630517
   0.13250832  0.73160216 -0.00034766
   0.41704270  0.60365830  0.36766122
   0.15044924  0.96986510  0.12317215
   0.36518147  0.89474212  0.28675265
   0.14034937  0.62585510  0.48314836
   0.33349147  0.71030465  0.83073744
   0.07562091  0.92827952  0.59165397
   0.34350508  0.93023064  0.69569502
   0.60636926  0.11687825  0.95808844
   0.83364901  0.20831048  0.31645679
   0.61035197  0.41291518  0.07075276
   0.92522424  0.40823257  0.20418422
   0.61043705  0.22341481  0.50156247
   0.90147632  0.14718706  0.86709189
   0.61523868  0.42758249  0.63260729
   0.81433980  0.41517566  0.80291061
   0.56142808  0.68361889 -0.02346677
   0.89074223  0.59166080  0.36201966
   0.56692440  0.91810471  0.10740374
   0.75429370  0.83584574  0.26950774
   0.64819634  0.65333799  0.48667630
   0.85450145  0.66889137  0.90191932
   0.65682452  0.92486039  0.62353950
   0.89739147  0.89445375  0.75910281
   0.11701124  0.08178221  0.10383489
   0.33433125  0.18467940  0.30703105
   0.18148841  0.30840535  0.00971737
   0.42422411  0.52265933  0.33085702
   0.55457592  0.34653338  0.15529347
   0.27460799  0.42714590  0.15613023
   0.20626878  0.10949816  0.43805004
  -0.07538518  0.20120187  0.39651956
  -0.00727917  0.00442097  0.54039927
   0.32078137  0.26350471  0.84478130
   0.07446461  0.32678650  0.57428952
   0.31036753  0.54025751  0.79593832
   0.49452372  0.39417861  0.71068447
   0.20824746  0.37002371  0.70329842
   0.22738820  0.09360729 -0.07091990
  -0.01257620  0.17169242  0.94986733
   0.19509919  0.62739714  0.03101802
   0.34554934  0.76822478  0.27702978
   0.13821308  0.84344128  0.08147800
   0.39509952  0.96700939  0.35777187
   0.47250983  0.94106166  0.18968872
   0.20136776  0.91939121  0.22045063
   0.30662813  0.63880414  0.43564957
   0.02945761  0.58128484  0.40968876
   0.31806598  0.38640088  0.54539531
   0.34072606  0.79107844  0.72296992
   0.04804073  0.75658049  0.49942204
   0.32833477  1.04026583  0.76012766
   0.50263778  0.94924390  0.62783519
   0.23192524  0.93962082  0.61770240
   0.21381011  0.76580200 -0.10256909
  -0.02334619  0.70763521  0.97231656
   0.62722238  0.02951423  0.06990009
   0.86181161  0.27391073  0.21983659
   0.64206232  0.31387890 -0.02368638
   0.89542709  0.53906294  0.28506056
   0.03382786  0.45713877  0.11643296
   0.77807878  0.45161989  0.08636208
   0.66871203  0.24529461  0.38547963
   0.49402089  0.15795830  0.46502112
   0.71673480  0.08640317  0.51691552
   0.89883784  0.25628885  0.80990449
   0.62039390  0.31753887  0.56405652
   0.89208248  0.52914980  0.87425263
   1.12360402  0.55377599  0.57293484
   0.72880318  0.44983622  0.68750908
   0.74410832  0.11510978  0.89222283
   0.48924649  0.06677706  0.89961790
   0.54234992  0.55522285  0.02298951
   0.84634857  0.77009025  0.30570122
   0.56132884  0.80391824  0.05772115
   0.77736819  1.01110846  0.31335476
   0.89708242  0.92077758  0.07049003
   0.68181398  0.85158149  0.18184744
   0.79638357  0.60946427  0.44457327
   0.55647390  0.67267555  0.40621967
   0.58450347  0.56426736  0.57581029
   0.83915487  0.76390942  0.80038722
   0.71611070  0.79673296  0.51378389
   0.93506097  0.99677475  0.82970866
   1.00279188  0.86183160  0.67822130
   0.77997899  0.95683739  0.70813626
   0.71604332  0.67654642  0.95591671
   0.45903280  0.69939013  0.89234817
   1.35713267  0.44969800  1.95605618
   0.75840568  1.19921976  0.56836021
   1.71642477  0.32513370  0.68791040
   2.04466127  2.47962559 -0.22693055
  -1.57621869 -0.56377819  0.81724690
   0.14686329  0.41802129  0.21317015
   0.35398476  1.30793835 -0.12240793
  -0.24841257  1.37749251  0.10817462
   0.69772502  0.50620743  0.84039436
  -0.35134672  0.14230650 -0.04805117
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.563202   -1.513098    0.755651
    -0.000000   15.388377    2.724389
    -0.000000    0.000000   15.032919
   Si   O    H 
    32    64    10
Direct configuration=  3910
   0.10591720  0.15951564  0.00633538
   0.34972715  0.11849317  0.40170492
   0.17842999  0.45159062  0.08225869
   0.83241927 -0.07449925  0.46011651
   0.09373509 -0.28303946  0.13928756
   0.35728502  0.09826064  0.85222836
   0.19486354  0.37692678  0.60070775
   0.33946742  0.39445980  0.75573783
   0.13172642  0.72971334 -0.00087319
   0.41735467  0.60506319  0.36984984
   0.15249470  0.96994150  0.12281732
   0.36462685  0.89504410  0.28659968
   0.13974171  0.62572715  0.48371887
   0.33579119  0.71250611  0.83162322
   0.07685620  0.92835729  0.59191977
   0.34289671  0.92978247  0.69614342
   0.59062373  0.10359141  0.96025642
   0.83267401  0.20954230  0.31759628
   0.61140095  0.41435234  0.06971338
   0.92349812  0.40866467  0.20396875
   0.60888602  0.22373522  0.50068759
   0.90228424  0.14888003  0.86602395
   0.61517163  0.42734974  0.63146282
   0.81526891  0.41492044  0.80169154
   0.56174054  0.68223657 -0.02285756
   0.89061532  0.59166114  0.36273950
   0.56658930  0.91781362  0.10627839
   0.75212786  0.83582898  0.26986960
   0.64784816  0.65195401  0.48673405
   0.85268530  0.66923035  0.90274438
   0.65497619  0.92647234  0.62306638
   0.89677658  0.89392899  0.75962105
   0.11792165  0.08103121  0.10202344
   0.33331586  0.18399450  0.30538649
   0.18029844  0.30590930  0.01090261
   0.42416648  0.52514802  0.33011160
   0.55266982  0.34600959  0.15487734
   0.27395829  0.42757052  0.15561394
   0.20662188  0.10767969  0.43959288
  -0.07631448  0.19868903  0.39690894
  -0.00615981  0.00146570  0.53968454
   0.32127755  0.26329391  0.84307707
   0.07313017  0.32792746  0.57470820
   0.31149330  0.54030182  0.79699102
   0.49239998  0.39549595  0.70987834
   0.20882369  0.37136767  0.70430748
   0.22904263  0.09422292 -0.07220081
  -0.01108183  0.17094437  0.94966967
   0.19298682  0.62948632  0.03221293
   0.34488471  0.77212000  0.27653372
   0.13454575  0.84144138  0.08408018
   0.39371767  0.96773951  0.35592320
   0.47305498  0.93910487  0.18782823
   0.20058483  0.92135395  0.21723140
   0.30490129  0.63802698  0.43401147
   0.02767330  0.58322273  0.40979840
   0.31904320  0.38648460  0.54459244
   0.34305987  0.79223782  0.72333955
   0.04883919  0.75512055  0.49916348
   0.32961879  1.03858666  0.76093251
   0.50357373  0.94889840  0.62940728
   0.23138830  0.93789228  0.61948024
   0.21736431  0.76367777 -0.10179300
  -0.02459470  0.70537123  0.97437655
   0.62488649  0.02900209  0.06732364
   0.86306850  0.27536852  0.22131618
   0.64377787  0.31626658 -0.02429925
   0.89676163  0.54093612  0.28442568
   0.03381918  0.45620436  0.11756323
   0.77822626  0.45035138  0.08585717
   0.67006006  0.24426645  0.38759896
   0.49380874  0.15737918  0.46494673
   0.71581217  0.08668406  0.51965635
   0.89874395  0.25455445  0.81123722
   0.61816606  0.31799918  0.56360706
   0.88989154  0.53117369  0.87614491
   1.12489043  0.55422420  0.57092679
   0.72986998  0.44906423  0.68729654
   0.74499073  0.11518370  0.89221278
   0.48970529  0.06918070  0.89949480
   0.54142868  0.55719841  0.02109092
   0.84406212  0.77199715  0.30304476
   0.56227907  0.80392043  0.05794008
   0.77461723  1.00939469  0.31608581
   0.89616616  0.92202901  0.06805613
   0.68389290  0.85220071  0.18394980
   0.79551283  0.61331710  0.44227073
   0.55695145  0.67177920  0.40729053
   0.58752484  0.56413486  0.57653042
   0.84244067  0.76612541  0.80080111
   0.71797967  0.79600450  0.51240972
   0.93334515  0.99547091  0.82869139
   1.00247824  0.86432242  0.67744360
   0.78140338  0.95531947  0.70847150
   0.71380606  0.67594113  0.95400978
   0.45850691  0.69864655  0.89404857
   1.45626724  0.42183863  2.07464990
   0.72060732  1.20607657  0.56385886
   1.79896065  0.31314013  0.73842311
   2.04495346  2.46768628 -0.22065681
  -1.70014575 -0.32245139  0.81244897
   0.13383806  0.44587108  0.23926779
   0.36548280  1.30791492 -0.12623990
  -0.26747784  1.38739881  0.10849082
   0.68992570  0.53163863  0.84454509
   0.04806778  0.42226279 -0.17655367
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.595048   -1.638777    0.785278
    -0.000000   15.695090    2.845669
    -0.000000    0.000000   15.081972
   Si   O    H 
    32    64    10
Direct configuration=  3911
   0.10457369  0.15835411  0.00643311
   0.34969906  0.11870623  0.40297234
   0.17707075  0.45098508  0.08150174
   0.83865953 -0.07818847  0.46368063
   0.09812999 -0.28383753  0.13618845
   0.35531448  0.09622625  0.85256512
   0.19669261  0.37736741  0.60109304
   0.34018061  0.39428540  0.75510080
   0.13107953  0.72813822 -0.00226720
   0.41792136  0.60696568  0.37187636
   0.15379796  0.97030245  0.12224404
   0.36455756  0.89533749  0.28633185
   0.13846564  0.62575999  0.48419187
   0.34276083  0.72005997  0.83510281
   0.07758248  0.92860568  0.59194384
   0.34212035  0.92923793  0.69633425
   0.57704085  0.09212204  0.96285964
   0.83215388  0.21085258  0.31877171
   0.61306636  0.41583509  0.06878674
   0.92269796  0.40941342  0.20400451
   0.60787610  0.22408437  0.50015528
   0.90222128  0.15017737  0.86505389
   0.61503796  0.42741718  0.63010187
   0.81610685  0.41472560  0.80095612
   0.56219019  0.68017462 -0.02202422
   0.89130846  0.59160889  0.36378058
   0.56591924  0.91685563  0.10541781
   0.75035296  0.83583589  0.27052628
   0.64848698  0.65088667  0.48689748
   0.85128658  0.66974658  0.90344954
   0.65399653  0.92799831  0.62261641
   0.89570082  0.89366384  0.76017733
   0.11895255  0.08045896  0.10060630
   0.33261713  0.18323133  0.30426874
   0.17903827  0.30289133  0.01194427
   0.42400122  0.52686377  0.32896141
   0.55088806  0.34520530  0.15549152
   0.27340130  0.42792623  0.15510443
   0.20707706  0.10606936  0.44103260
  -0.07690704  0.19664813  0.39689919
  -0.00505654 -0.00211789  0.53964315
   0.32269638  0.26366573  0.84131117
   0.07127642  0.32909785  0.57510170
   0.31245577  0.53998190  0.79814177
   0.48984798  0.39666699  0.70916298
   0.20922423  0.37267677  0.70585912
   0.23109820  0.09512063 -0.07404193
  -0.01020211  0.17020876  0.94922391
   0.19129841  0.63162255  0.03331462
   0.34428305  0.77558672  0.27606058
   0.13113479  0.83933023  0.08622086
   0.39157782  0.96822034  0.35411637
   0.47354942  0.93728459  0.18617089
   0.19951040  0.92373912  0.21370415
   0.30152745  0.63756174  0.43298491
   0.02631217  0.58500105  0.40972991
   0.31977180  0.38654063  0.54394787
   0.34538898  0.79321501  0.72403215
   0.04937624  0.75345924  0.49903676
   0.33114985  1.03746609  0.76173554
   0.50435901  0.94791569  0.63110710
   0.23038750  0.93661411  0.62078049
   0.22154869  0.76191346 -0.10167751
  -0.02704150  0.70361382  0.97565979
   0.62218469  0.02829359  0.06461958
   0.86459473  0.27712507  0.22226959
   0.64542433  0.31883817 -0.02507451
   0.89755858  0.54172667  0.28391224
   0.03415960  0.45521791  0.11864264
   0.77732653  0.44866278  0.08613080
   0.67131948  0.24336250  0.38956520
   0.49332711  0.15669179  0.46456960
   0.71480334  0.08624086  0.52257823
   0.89902852  0.25301390  0.81182180
   0.61650931  0.31916175  0.56282918
   0.88715838  0.53323831  0.87749365
   1.12647477  0.55513997  0.56901027
   0.73079876  0.44861423  0.68699546
   0.74473113  0.11522846  0.89304239
   0.48993064  0.07114052  0.89931234
   0.54016664  0.55934138  0.01944387
   0.84167411  0.77344809  0.30070053
   0.56306686  0.80384890  0.05840454
   0.77187431  1.00755536  0.31904133
   0.89516400  0.92327231  0.06602978
   0.68625097  0.85351200  0.18514390
   0.79428021  0.61641056  0.44015211
   0.55677815  0.67129156  0.40769425
   0.59110708  0.56394383  0.57675877
   0.84644206  0.76829929  0.80110674
   0.71966564  0.79566137  0.51094593
   0.93217759  0.99392192  0.82769792
   1.00221686  0.86639926  0.67725374
   0.78275398  0.95320420  0.70834249
   0.71147486  0.67580938  0.95257020
   0.45807532  0.69849388  0.89551386
   1.54437357  0.40154016  2.18001993
   0.68354988  1.20862809  0.55913858
   1.87536074  0.30459717  0.78732040
   2.04375522  2.45180209 -0.21049869
  -1.95491911 -0.25879616  0.73025630
   0.12485928  0.46793383  0.26194738
   0.37197377  1.30326251 -0.12672400
  -0.26828587  1.39556540  0.10956163
   0.68765589  0.55360405  0.84852143
   0.41081627  0.67712130 -0.29971384
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.626295   -1.758650    0.813482
    -0.000000   15.993001    2.964065
    -0.000000    0.000000   15.128957
   Si   O    H 
    32    64    10
Direct configuration=  3912
   0.10355149  0.15751382  0.00619703
   0.34963598  0.11897491  0.40429317
   0.17589945  0.45037324  0.08080829
   0.84386581 -0.08147152  0.46693572
   0.10253586 -0.28436682  0.13370040
   0.35290945  0.09417476  0.85272193
   0.19757987  0.37795485  0.60174242
   0.34115069  0.39444636  0.75414652
   0.13067369  0.72665674 -0.00401706
   0.41840898  0.60869007  0.37393437
   0.15479669  0.97046707  0.12209553
   0.36420450  0.89531083  0.28611102
   0.13744365  0.62601051  0.48437826
   0.34932375  0.72664208  0.83765774
   0.07807670  0.92931384  0.59158981
   0.34153521  0.92832905  0.69680910
   0.56564849  0.08208621  0.96610069
   0.83127226  0.21205484  0.31993043
   0.61447545  0.41698330  0.06726843
   0.92194248  0.41005294  0.20453562
   0.60674931  0.22475152  0.49901386
   0.90189905  0.15173733  0.86385158
   0.61462392  0.42744951  0.62876314
   0.81719508  0.41509621  0.80009625
   0.56268008  0.67829195 -0.02116258
   0.89259188  0.59161060  0.36487564
   0.56586672  0.91587491  0.10453679
   0.74889330  0.83569267  0.27120427
   0.64891393  0.65009197  0.48679661
   0.85003342  0.67018511  0.90409617
   0.65371206  0.92967663  0.62197976
   0.89474449  0.89330257  0.76106315
   0.11986312  0.07961339  0.09929904
   0.33302790  0.18234416  0.30380053
   0.17749208  0.29984528  0.01284066
   0.42401799  0.52842008  0.32777798
   0.54927184  0.34470625  0.15664594
   0.27265854  0.42863270  0.15393423
   0.20715856  0.10435861  0.44274639
  -0.07768578  0.19496139  0.39654956
  -0.00395845 -0.00545230  0.53988152
   0.32451719  0.26426411  0.83921904
   0.06929023  0.33050776  0.57586927
   0.31316903  0.53972714  0.79877981
   0.48650980  0.39770905  0.70824966
   0.21021706  0.37376237  0.70789051
   0.23381296  0.09598846 -0.07575542
  -0.00986707  0.16978009  0.94809417
   0.18941488  0.63388976  0.03435902
   0.34398335  0.77907228  0.27658815
   0.12815971  0.83671202  0.08797334
   0.38884139  0.96853118  0.35224932
   0.47331962  0.93600592  0.18481520
   0.19807873  0.92575903  0.21037317
   0.29799165  0.63761189  0.43209083
   0.02567004  0.58636517  0.41011967
   0.32160111  0.38681507  0.54279547
   0.34833127  0.79443941  0.72519200
   0.04928229  0.75172848  0.49941124
   0.33245875  1.03620889  0.76291344
   0.50519604  0.94693380  0.63285375
   0.22932404  0.93515013  0.62192891
   0.22567720  0.76031539 -0.10143539
  -0.02895290  0.70196610  0.97682507
   0.61921527  0.02729609  0.06236571
   0.86601360  0.27899717  0.22292070
   0.64664755  0.32147473 -0.02531496
   0.89792019  0.54209155  0.28307603
   0.03370323  0.45443862  0.11956955
   0.77594836  0.44804309  0.08630276
   0.67324071  0.24242661  0.39101467
   0.49235088  0.15556743  0.46393249
   0.71391443  0.08528953  0.52544052
   0.89907806  0.25069216  0.81281227
   0.61454678  0.32015119  0.56272684
   0.88430124  0.53556044  0.87860668
   1.12823658  0.55597303  0.56749227
   0.73235116  0.44833762  0.68661313
   0.74484922  0.11597608  0.89398101
   0.48765358  0.07229029  0.89836249
   0.53861112  0.56121326  0.01824843
   0.84013267  0.77459098  0.29865668
   0.56429155  0.80413550  0.05851320
   0.76962113  1.00578755  0.32156766
   0.89531152  0.92398533  0.06458469
   0.68879632  0.85504505  0.18487551
   0.79206059  0.61938763  0.43851896
   0.55614654  0.67040410  0.40800232
   0.59433824  0.56346038  0.57713985
   0.85071458  0.77079758  0.80149202
   0.72123330  0.79571902  0.50972152
   0.93103769  0.99247426  0.82650537
   1.00166743  0.86795573  0.67755554
   0.78303095  0.95087106  0.70863023
   0.70900925  0.67520385  0.95170140
   0.45841629  0.69785427  0.89679162
   1.61728414  0.37427123  2.27690402
   0.66667129  1.20370346  0.56667576
   1.94328828  0.29852797  0.83095131
   2.03749010  2.43809647 -0.20075643
  -2.18689965 -0.20264962  0.65665376
   0.11601394  0.48730273  0.27977790
   0.37733971  1.29661985 -0.12587444
  -0.25711334  1.38904796  0.11665162
   0.69287357  0.57198366  0.85273569
   0.73517804  0.90199820 -0.40975921
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.656361   -1.873158    0.840362
    -0.000000   16.282282    3.078101
    -0.000000    0.000000   15.174217
   Si   O    H 
    32    64    10
Direct configuration=  3913
   0.10387618  0.15697148  0.00624513
   0.34969325  0.11978398  0.40530663
   0.17464282  0.44957309  0.08028680
   0.84814647 -0.08451100  0.46981037
   0.10641749 -0.28427276  0.13194672
   0.35053500  0.09252344  0.85229294
   0.19845150  0.37845634  0.60207266
   0.34154088  0.39462757  0.75326289
   0.13043360  0.72516538 -0.00630444
   0.41887471  0.61037595  0.37567191
   0.15516404  0.97080077  0.12198160
   0.36398747  0.89512174  0.28585949
   0.13612142  0.62693536  0.48430757
   0.35469160  0.73243616  0.84020168
   0.07883582  0.92980269  0.59130023
   0.34059304  0.92713884  0.69742049
   0.55654676  0.07337429  0.96969917
   0.82953670  0.21278660  0.32143967
   0.61570666  0.41817280  0.06597633
   0.92149217  0.41059775  0.20495511
   0.60530437  0.22527173  0.49771304
   0.90118349  0.15293712  0.86287250
   0.61383430  0.42748429  0.62763859
   0.81790901  0.41533572  0.79913389
   0.56219490  0.67636526 -0.02038305
   0.89406431  0.59208520  0.36571324
   0.56599782  0.91463469  0.10352978
   0.74778767  0.83592565  0.27211837
   0.64993644  0.64895904  0.48677344
   0.84940917  0.67077337  0.90467873
   0.65222297  0.93180126  0.62201472
   0.89314419  0.89302241  0.76213194
   0.12056690  0.07869384  0.09739840
   0.33451041  0.18107954  0.30419028
   0.17667781  0.29659183  0.01304281
   0.42329930  0.52968515  0.32669860
   0.54797356  0.34419715  0.15751717
   0.27158937  0.42926253  0.15250720
   0.20770870  0.10314388  0.44428869
  -0.07881790  0.19392025  0.39668764
  -0.00283546 -0.00842248  0.53973255
   0.32626630  0.26512548  0.83723667
   0.06756687  0.33197723  0.57701243
   0.31332231  0.53923466  0.79935153
   0.48348057  0.39844572  0.70718883
   0.21179386  0.37469535  0.70998067
   0.23575374  0.09718637 -0.07736228
  -0.01059233  0.16961739  0.94684600
   0.18772404  0.63604719  0.03599201
   0.34351438  0.78273207  0.27735871
   0.12520017  0.83367975  0.08952239
   0.38639718  0.96808452  0.35009901
   0.47219112  0.93495739  0.18291372
   0.19754607  0.92735958  0.20775303
   0.29401415  0.63728316  0.43161414
   0.02496879  0.58779806  0.41106443
   0.32375595  0.38709882  0.54130160
   0.35098297  0.79608092  0.72597977
   0.04900683  0.74997260  0.49989628
   0.33353867  1.03516957  0.76413246
   0.50542189  0.94549700  0.63480500
   0.22832668  0.93404136  0.62256090
   0.22965569  0.75927109 -0.10201115
  -0.03044154  0.70007828  0.97786507
   0.61638370  0.02612798  0.06032629
   0.86739285  0.28073489  0.22315983
   0.64828681  0.32446527 -0.02604262
   0.89812841  0.54214270  0.28257284
   0.03336285  0.45406040  0.12004215
   0.77359171  0.44704270  0.08719432
   0.67506930  0.24205195  0.39203492
   0.49075444  0.15452693  0.46376177
   0.71267030  0.08395174  0.52820788
   0.89844826  0.24824117  0.81401682
   0.61287699  0.32150102  0.56278822
   0.88123687  0.53812251  0.87942164
   1.12928291  0.55699923  0.56625111
   0.73408771  0.44793321  0.68645544
   0.74491623  0.11658009  0.89447357
   0.48425463  0.07317709  0.89633900
   0.53751962  0.56310382  0.01656438
   0.83877035  0.77519054  0.29715964
   0.56480310  0.80475199  0.05887050
   0.76784947  1.00356899  0.32365608
   0.89538339  0.92499362  0.06342057
   0.69094953  0.85694268  0.18353489
   0.79017894  0.62174429  0.43690688
   0.55504829  0.66913314  0.40843069
   0.59728804  0.56304794  0.57718047
   0.85480081  0.77311856  0.80082162
   0.72280673  0.79559989  0.50813792
   0.92919496  0.99031780  0.82553443
   1.00109738  0.86937209  0.67778239
   0.78299917  0.94838347  0.70898603
   0.70735656  0.67515905  0.95046993
   0.45917366  0.69745788  0.89819232
   1.67981582  0.34761604  2.36148270
   0.66351770  1.19107117  0.58634348
   2.00391898  0.29221298  0.86978676
   2.03014570  2.42645147 -0.19083015
  -2.39394782 -0.15589072  0.58992259
   0.10753352  0.50443991  0.29512418
   0.38343598  1.29073948 -0.12134493
  -0.24220702  1.38104493  0.12241080
   0.70576698  0.58747711  0.85933550
   1.05786222  1.08834701 -0.52305095
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.684831   -1.983845    0.866529
    -0.000000   16.564151    3.189675
    -0.000000    0.000000   15.217414
   Si   O    H 
    32    64    10
Direct configuration=  3914
   0.10376344  0.15644649  0.00570434
   0.34972610  0.12039837  0.40523193
   0.17339838  0.44920509  0.08007066
   0.85160048 -0.08728440  0.47249335
   0.10970974 -0.28409431  0.13150112
   0.34834621  0.08995541  0.85183898
   0.19935123  0.37921277  0.60209217
   0.34184635  0.39464521  0.75224263
   0.12966214  0.72357510 -0.00868181
   0.41931431  0.61180926  0.37721527
   0.15597220  0.97117849  0.12212787
   0.36387166  0.89423991  0.28586810
   0.13437374  0.62744436  0.48404768
   0.35855614  0.73789833  0.84200618
   0.07971620  0.92955040  0.59141233
   0.33994150  0.92603541  0.69806734
   0.54929403  0.06555792  0.97332437
   0.82764109  0.21334198  0.32269965
   0.61830972  0.41924576  0.06417991
   0.92023298  0.41115469  0.20508113
   0.60639960  0.22503726  0.49726129
   0.89976412  0.15384909  0.86250441
   0.61229263  0.42754349  0.62659493
   0.81850232  0.41516795  0.79937748
   0.56208744  0.67443694 -0.01910312
   0.89520900  0.59269529  0.36632165
   0.56580580  0.91307784  0.10305978
   0.74685520  0.83604456  0.27281499
   0.65116542  0.64815813  0.48685824
   0.84869213  0.67099115  0.90505260
   0.65179750  0.93358027  0.62119688
   0.89175844  0.89291779  0.76357752
   0.12110455  0.07758974  0.09531026
   0.33592350  0.17915607  0.30485462
   0.17619048  0.29362936  0.01367479
   0.42289932  0.53088022  0.32617632
   0.54550509  0.34397244  0.15917556
   0.27168515  0.43019998  0.15076162
   0.20174386  0.10088343  0.44733212
  -0.08129557  0.19317064  0.39626051
   0.00140919 -0.00919066  0.53860474
   0.32832530  0.26697616  0.83471064
   0.06520144  0.33250348  0.57793826
   0.31387649  0.53799458  0.79992505
   0.47967178  0.39910740  0.70661161
   0.21353037  0.37625561  0.71153765
   0.23628456  0.09843563 -0.07818617
  -0.00942945  0.17004787  0.94558871
   0.18597458  0.63783426  0.03814352
   0.34364998  0.78610697  0.27853232
   0.12215970  0.83061561  0.09058897
   0.38323095  0.96787926  0.34749587
   0.47028869  0.93434084  0.18084152
   0.19695870  0.92897716  0.20516662
   0.29048100  0.63714586  0.43154033
   0.02599705  0.58862669  0.41248523
   0.32695043  0.38795514  0.54011023
   0.35355591  0.79772780  0.72784472
   0.04957798  0.74814272  0.49996767
   0.33491063  1.03422041  0.76552227
   0.50327447  0.94360313  0.63629200
   0.22723414  0.93321210  0.62318883
   0.23369823  0.75840209 -0.10179076
  -0.03183246  0.69872883  0.97857459
   0.61412305  0.02508652  0.05832097
   0.86941084  0.28069521  0.22446102
   0.65038209  0.32830980 -0.02668899
   0.90028983  0.54241580  0.28321471
   0.03096587  0.45273074  0.12034103
   0.77103797  0.44588844  0.08803876
   0.67936932  0.24173225  0.39410021
   0.48792093  0.15219119  0.46261114
   0.71062968  0.08506469  0.52983593
   0.90199841  0.24631119  0.81685908
   0.61141174  0.32338198  0.56393873
   0.87810842  0.54130117  0.88134233
   1.13046038  0.55714343  0.56485402
   0.73479763  0.44787428  0.68456629
   0.74601366  0.11664700  0.89491445
   0.47930639  0.07388930  0.89401724
   0.53530680  0.56396972  0.01600310
   0.83677707  0.77604526  0.29688187
   0.56591204  0.80505733  0.05949054
   0.76759229  1.00192207  0.32562387
   0.89617701  0.92613622  0.06225209
   0.69223392  0.85970503  0.18206089
   0.78857684  0.62400713  0.43462616
   0.55368873  0.66788981  0.40883527
   0.59977682  0.56281408  0.57685244
   0.86003259  0.77551685  0.80081987
   0.72362901  0.79450820  0.50611568
   0.92714226  0.98809409  0.82362401
   1.00035005  0.87073491  0.67773090
   0.78405057  0.94530898  0.70963055
   0.70555962  0.67438830  0.94850648
   0.46085412  0.69704228  0.89861400
   1.71138844  0.31401741  2.44270667
   0.61435186  1.20369173  0.53902725
   2.01977428  0.27619924  0.88461029
   2.01639184  2.41637545 -0.18334267
  -2.57988364 -0.08343930  0.54864705
   0.08673078  0.52391366  0.31552132
   0.37993339  1.28594280 -0.10134335
  -0.25085049  1.38872270  0.09706143
   0.72526450  0.62089229  0.86220520
   1.38825488  1.22866953 -0.62919250
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.712287   -2.090690    0.890624
    -0.000000   16.837415    3.297620
    -0.000000    0.000000   15.259172
   Si   O    H 
    32    64    10
Direct configuration=  3915
   0.10464372  0.15628383  0.00533672
   0.35003123  0.12099097  0.40517268
   0.17248115  0.44873242  0.08029574
   0.85418862 -0.08975877  0.47499582
   0.11294817 -0.28349481  0.13118909
   0.34597223  0.08740599  0.85153463
   0.19992829  0.37974778  0.60205441
   0.34228243  0.39453915  0.75142296
   0.12873740  0.72170990 -0.01157047
   0.41945639  0.61287681  0.37841960
   0.15586976  0.97171980  0.12185201
   0.36382400  0.89331300  0.28613077
   0.13269051  0.62816444  0.48377446
   0.36203228  0.74292555  0.84335623
   0.08066480  0.92926968  0.59202073
   0.33924511  0.92512121  0.69837135
   0.54317971  0.05871315  0.97678385
   0.82599962  0.21410132  0.32389398
   0.62039778  0.42002253  0.06261820
   0.91859999  0.41125888  0.20517891
   0.60515837  0.22865280  0.48882724
   0.89779965  0.15452413  0.86282773
   0.61085115  0.42760951  0.62514199
   0.81827756  0.41509182  0.79988878
   0.56230460  0.67264552 -0.01754778
   0.89651582  0.59292994  0.36728302
   0.56615949  0.91175173  0.10247213
   0.74600854  0.83679102  0.27315533
   0.65226325  0.64736173  0.48725174
   0.84850829  0.67139583  0.90516468
   0.65177843  0.93544084  0.62066014
   0.89019516  0.89288307  0.76522383
   0.12186876  0.07673460  0.09326997
   0.33771212  0.17768768  0.30634940
   0.17524734  0.29134521  0.01363249
   0.42263210  0.53227291  0.32555814
   0.54403416  0.34397195  0.15952391
   0.27156182  0.43050255  0.14886220
   0.19736919  0.09868739  0.44967204
  -0.08439416  0.19259483  0.39600423
   0.00496676 -0.00990387  0.53731161
   0.33070724  0.26894520  0.83274206
   0.06379075  0.33264744  0.57914541
   0.31414005  0.53668496  0.80037846
   0.47645389  0.39955655  0.70552805
   0.21501553  0.37748912  0.71253810
   0.23778748  0.09947076 -0.07897962
  -0.00810152  0.17064471  0.94415354
   0.18454295  0.63983896  0.04000049
   0.34412700  0.78973236  0.27995321
   0.11945093  0.82758600  0.09128029
   0.38120158  0.96758993  0.34519448
   0.46860817  0.93401856  0.17929050
   0.19716312  0.93000550  0.20390741
   0.28718226  0.63690526  0.43121185
   0.02696971  0.58996641  0.41337714
   0.32952259  0.38926222  0.53884284
   0.35547836  0.79919950  0.72991332
   0.05042474  0.74566132  0.49994910
   0.33600254  1.03365727  0.76680701
   0.50132864  0.94236928  0.63766285
   0.22696601  0.93262894  0.62316160
   0.23765346  0.75755909 -0.10137515
  -0.03306419  0.69749205  0.97841020
   0.61195458  0.02394119  0.05631656
   0.87128082  0.28084815  0.22561286
   0.65201981  0.33212052 -0.02765469
   0.90232594  0.54259527  0.28384116
   0.02851321  0.45132456  0.12035523
   0.76794048  0.44476586  0.08902094
   0.68403486  0.24173673  0.39490112
   0.48458421  0.15004124  0.46187610
   0.70933000  0.08612064  0.53122200
   0.90592591  0.24517499  0.81954974
   0.61025302  0.32490820  0.56451121
   0.87497853  0.54451586  0.88282262
   1.13184788  0.55729300  0.56405167
   0.73518724  0.44769178  0.68295661
   0.74714800  0.11659938  0.89507293
   0.47465044  0.07469542  0.89061077
   0.53247945  0.56479516  0.01587131
   0.83460617  0.77670833  0.29657511
   0.56668201  0.80599711  0.05984371
   0.76681786  1.00005791  0.32798750
   0.89640789  0.92726366  0.06041429
   0.69328318  0.86229183  0.18047691
   0.78676074  0.62557469  0.43225952
   0.55253886  0.66617042  0.40942628
   0.60238253  0.56306432  0.57685526
   0.86450455  0.77807191  0.80102051
   0.72490279  0.79377640  0.50366240
   0.92546733  0.98594233  0.82106760
   0.99873250  0.87186836  0.67755391
   0.78439201  0.94240452  0.71070041
   0.70501525  0.67372948  0.94673612
   0.46301035  0.69650130  0.89939813
   1.73799420  0.28263703  2.51428017
   0.61462032  1.09512885  0.72740354
   2.02806603  0.26100131  0.89746340
   1.99870722  2.40763430 -0.17845651
  -2.74156723 -0.02173446  0.51434534
   0.06658382  0.54126384  0.33737583
   0.36460800  1.27821957 -0.08945806
  -0.24618298  1.39508642  0.07099831
   0.74546581  0.64754203  0.86512367
   1.68223023  1.35538115 -0.73252635
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.738749   -2.194113    0.914591
    -0.000000   17.104087    3.403190
    -0.000000    0.000000   15.300307
   Si   O    H 
    32    64    10
Direct configuration=  3916
   0.10584010  0.15583341  0.00454609
   0.34991250  0.12214410  0.40469854
   0.17195040  0.44792160  0.08105466
   0.85595723 -0.09144858  0.47755558
   0.11670344 -0.28291262  0.13098212
   0.34318181  0.08482279  0.85090758
   0.20015169  0.38017432  0.60223518
   0.34300229  0.39459523  0.75048653
   0.12720479  0.71957200 -0.01430543
   0.41939566  0.61392502  0.37916610
   0.15579659  0.97299515  0.12115449
   0.36438165  0.89230274  0.28600449
   0.12942576  0.62933361  0.48359128
   0.36539862  0.74730628  0.84428094
   0.08129150  0.92894241  0.59368522
   0.33834938  0.92424133  0.69889937
   0.53766757  0.05258477  0.97948783
   0.82496340  0.21416639  0.32507853
   0.62101401  0.42111903  0.06048525
   0.91836350  0.41139155  0.20486728
   0.60161610  0.22909327  0.48172161
   0.89497197  0.15517977  0.86386986
   0.60931386  0.42722825  0.62348729
   0.82000912  0.41461532  0.80035313
   0.56165843  0.67150358 -0.01505174
   0.89866054  0.59306273  0.36873220
   0.56655079  0.91022647  0.10192741
   0.74548944  0.83723819  0.27356673
   0.65387528  0.64704655  0.48657776
   0.86273485  0.67365535  0.91151076
   0.65158778  0.93704894  0.61976984
   0.88860977  0.89328907  0.76709876
   0.12250164  0.07577683  0.09125110
   0.33991027  0.17585618  0.30834344
   0.17511391  0.28979844  0.01469875
   0.42256271  0.53438164  0.32549971
   0.54233135  0.34414297  0.16042685
   0.27313753  0.43073766  0.14599026
   0.19624624  0.09605761  0.45182115
  -0.08737172  0.19191158  0.39641248
   0.00926963 -0.01109250  0.53612315
   0.33555097  0.27067865  0.82984009
   0.06171574  0.33308716  0.58044560
   0.31463852  0.53487398  0.80020926
   0.47379659  0.39933941  0.70466260
   0.21571377  0.37868311  0.71323540
   0.23911898  0.10086508 -0.07938384
  -0.00774749  0.16878730  0.94413783
   0.18103162  0.64216786  0.04185743
   0.34429181  0.79427864  0.28154746
   0.11664607  0.82460029  0.09194081
   0.37830351  0.96749489  0.34326628
   0.46672259  0.93377735  0.17778502
   0.19745481  0.92985689  0.20375603
   0.28361762  0.63589836  0.43031558
   0.02968751  0.59203489  0.41450490
   0.33099070  0.39067627  0.53756945
   0.35684047  0.80126861  0.73246661
   0.05240496  0.74221600  0.49918436
   0.33633567  1.03196167  0.76808516
   0.49829271  0.94205091  0.63982605
   0.23042384  0.93331455  0.62226072
   0.24029739  0.75704167 -0.10104409
  -0.03626734  0.69601949  0.97640064
   0.61129266  0.02265706  0.05461398
   0.87260637  0.28145704  0.22834842
   0.65406499  0.33574760 -0.02939080
   0.90166613  0.54342480  0.28461438
   0.02507289  0.44981074  0.12025576
   0.76500713  0.44528314  0.09141827
   0.68935511  0.24098493  0.39204840
   0.48020108  0.14775046  0.46009013
   0.70828641  0.08813196  0.53257820
   0.90999128  0.24613978  0.81997377
   0.60688405  0.33007928  0.56745847
   0.87245383  0.54957004  0.88466210
   1.13252016  0.55733028  0.56355380
   0.73387281  0.44723375  0.68038111
   0.75019169  0.11653833  0.89437491
   0.46889324  0.07508396  0.88761619
   0.53179425  0.56600293  0.01580790
   0.83267502  0.77719042  0.29700372
   0.56713712  0.80701430  0.06031709
   0.76556234  0.99903856  0.32985009
   0.89628819  0.92780299  0.05853767
   0.69350707  0.86503995  0.17933561
   0.78535645  0.62627035  0.42960692
   0.55093055  0.66420241  0.41031351
   0.60447563  0.56309222  0.57670342
   0.87078539  0.78185654  0.80026216
   0.72595660  0.79193620  0.50170887
   0.92359756  0.98307066  0.81738043
   0.99813177  0.87361061  0.67754268
   0.78462746  0.94039249  0.71183939
   0.70029187  0.67447505  0.94829107
   0.46564256  0.69675122  0.89974292
   1.88630510  0.28266904  2.61130258
   0.62715852  0.99317415  0.88426574
   2.02062486  0.25394976  0.89949080
   1.95658082  2.39200468 -0.17042181
  -2.90964454  0.03102359  0.49353671
   0.06564307  0.54283718  0.36101239
   0.33679354  1.25876962 -0.06790989
  -0.21494437  1.39044558  0.02366052
   0.44755299  0.54796985  0.64862681
   1.89185755  1.46873003 -0.83420733
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.764461   -2.294243    0.939000
    -0.000000   17.361938    3.506532
    -0.000000    0.000000   15.341129
   Si   O    H 
    32    64    10
Direct configuration=  3917
   0.10744116  0.15545102  0.00404732
   0.34907863  0.12339178  0.40425376
   0.17178331  0.44704613  0.08152462
   0.85738586 -0.09306646  0.47951490
   0.12022655 -0.28216831  0.13058224
   0.34013292  0.08224012  0.84990111
   0.19962073  0.38070060  0.60234094
   0.34320303  0.39446194  0.75016055
   0.12605521  0.71775565 -0.01684876
   0.41889430  0.61474431  0.37971357
   0.15590952  0.97470226  0.12048011
   0.36499071  0.89128964  0.28574401
   0.12632970  0.63088558  0.48353147
   0.36852402  0.75096424  0.84484889
   0.08236016  0.92878805  0.59506439
   0.33775696  0.92358114  0.69953797
   0.53238045  0.04738164  0.98109592
   0.82410265  0.21438120  0.32618990
   0.62154164  0.42185934  0.05863251
   0.91833886  0.41061776  0.20506260
   0.59881468  0.22942179  0.47548536
   0.89259523  0.15573895  0.86490223
   0.60852210  0.42662501  0.62203899
   0.82117213  0.41413121  0.80097061
   0.56116092  0.67018939 -0.01247688
   0.90012896  0.59339082  0.36990099
   0.56684633  0.90868043  0.10154535
   0.74546385  0.83772967  0.27372912
   0.65554285  0.64615757  0.48604102
   0.87513324  0.67530461  0.91698932
   0.65211687  0.93866686  0.61932013
   0.88724048  0.89364993  0.76901416
   0.12286832  0.07558328  0.08880632
   0.34171767  0.17459207  0.30959454
   0.17490929  0.28802594  0.01575896
   0.42228566  0.53637860  0.32574679
   0.54155239  0.34457452  0.16128410
   0.27409243  0.43154335  0.14311720
   0.19681559  0.09398985  0.45378026
  -0.08991760  0.19066425  0.39693521
   0.01395155 -0.01221059  0.53496158
   0.33902672  0.27232437  0.82768691
   0.05972400  0.33353671  0.58185581
   0.31595449  0.53278901  0.79992678
   0.47215969  0.39918442  0.70356829
   0.21589255  0.37936117  0.71313323
   0.24043146  0.10207193 -0.07942761
  -0.00733513  0.16737746  0.94418377
   0.17749425  0.64463617  0.04304983
   0.34363999  0.79860738  0.28324112
   0.11377320  0.82208162  0.09282327
   0.37570637  0.96715827  0.34153391
   0.46515835  0.93366967  0.17597709
   0.19747057  0.92961056  0.20363825
   0.28129624  0.63519422  0.42910439
   0.03229275  0.59339916  0.41557656
   0.33076665  0.39157952  0.53665257
   0.35837832  0.80342443  0.73537627
   0.05479858  0.73877148  0.49812141
   0.33642573  1.03069061  0.76904619
   0.49509302  0.94158116  0.64180494
   0.23395584  0.93426283  0.62089553
   0.24224676  0.75660382 -0.10058854
  -0.03787392  0.69427142  0.97489475
   0.61038862  0.02122778  0.05346499
   0.87400061  0.28216373  0.23072218
   0.65595846  0.33918900 -0.03093126
   0.90107052  0.54398263  0.28543921
   0.02229891  0.44803553  0.12015762
   0.76165039  0.44487014  0.09322881
   0.69461554  0.24055786  0.38941152
   0.47579852  0.14592966  0.45865317
   0.70813647  0.09001185  0.53345907
   0.91477577  0.24712411  0.82016290
   0.60291646  0.33505621  0.56985681
   0.87116772  0.55419315  0.88605226
   1.13347755  0.55756381  0.56299991
   0.73302639  0.44672888  0.67735029
   0.75351984  0.11654447  0.89357064
   0.46409098  0.07554235  0.88443711
   0.53110809  0.56729326  0.01583241
   0.83145960  0.77747443  0.29750111
   0.56824555  0.80820733  0.06077674
   0.76465186  0.99767070  0.33165786
   0.89607614  0.92853303  0.05661013
   0.69361382  0.86752866  0.17859686
   0.78458416  0.62616460  0.42710741
   0.54890365  0.66291881  0.41069516
   0.60509444  0.56261610  0.57646213
   0.87736455  0.78582584  0.79934783
   0.72684145  0.79096060  0.50007355
   0.92175005  0.98057221  0.81413435
   0.99720214  0.87471742  0.67797617
   0.78437074  0.93874688  0.71319406
   0.69741245  0.67555174  0.94923848
   0.46764775  0.69711431  0.90046463
   2.02544878  0.28445538  2.69690027
   0.63222105  0.90444290  1.02926652
   2.01025395  0.24504481  0.90304760
   1.91457766  2.37851993 -0.16440768
  -3.05691379  0.08093985  0.47189829
   0.06514274  0.54857903  0.38691269
   0.31145854  1.24702748 -0.05995254
  -0.18833396  1.38887869 -0.01077012
   0.18224492  0.45887640  0.45476721
   2.06425461  1.59554297 -0.93782680
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.789182   -2.390270    0.963548
    -0.000000   17.610535    3.606900
    -0.000000    0.000000   15.381272
   Si   O    H 
    32    64    10
Direct configuration=  3918
   0.10943160  0.15507657  0.00398335
   0.34798107  0.12424712  0.40412261
   0.17120478  0.44615768  0.08196373
   0.85868136 -0.09466938  0.48105663
   0.12316779 -0.28122673  0.13034282
   0.33644863  0.07990085  0.84908245
   0.19912703  0.38107685  0.60211188
   0.34383290  0.39429999  0.75027554
   0.12484736  0.71634760 -0.01939550
   0.41858843  0.61517892  0.38000104
   0.15562070  0.97625028  0.11963053
   0.36527078  0.89042527  0.28573109
   0.12422246  0.63255223  0.48370390
   0.37112424  0.75417159  0.84514248
   0.08380029  0.92876311  0.59649951
   0.33785461  0.92303972  0.70004055
   0.52768179  0.04300885  0.98208251
   0.82313259  0.21513124  0.32733569
   0.62224986  0.42218661  0.05717387
   0.91813363  0.40993862  0.20492258
   0.59651284  0.22961238  0.47000729
   0.89021393  0.15615897  0.86604321
   0.60785009  0.42589485  0.62074845
   0.82160846  0.41382331  0.80138255
   0.56076194  0.66892082 -0.01046237
   0.90000037  0.59347269  0.37100930
   0.56617452  0.90724990  0.10185945
   0.74582741  0.83828326  0.27394725
   0.65768483  0.64553157  0.48548396
   0.88504601  0.67638613  0.92113283
   0.65231590  0.94018989  0.61881495
   0.88598459  0.89431022  0.77076467
   0.12291585  0.07553282  0.08610133
   0.34331414  0.17314153  0.31101422
   0.17427619  0.28629754  0.01594002
   0.42187669  0.53848741  0.32573060
   0.54029239  0.34511771  0.16145490
   0.27455663  0.43254454  0.14075224
   0.19804218  0.09189033  0.45584276
  -0.09175844  0.18951731  0.39728825
   0.01858136 -0.01319846  0.53362530
   0.34253738  0.27391425  0.82563043
   0.05895887  0.33395278  0.58328248
   0.31694810  0.53068373  0.79911948
   0.47123241  0.39894442  0.70194661
   0.21430276  0.37989398  0.71246132
   0.24166076  0.10364927 -0.07941776
  -0.00689809  0.16626291  0.94423419
   0.17336004  0.64635553  0.04445938
   0.34379978  0.80295424  0.28451109
   0.11038370  0.81929882  0.09383852
   0.37321541  0.96617139  0.33981899
   0.46484223  0.93346831  0.17386445
   0.19768437  0.92916764  0.20350242
   0.27902798  0.63454362  0.42786206
   0.03457243  0.59421598  0.41594068
   0.33026642  0.39183117  0.53605287
   0.35988620  0.80550723  0.73850795
   0.05715172  0.73541833  0.49724847
   0.33640353  1.02980384  0.77023107
   0.49226132  0.94076795  0.64343329
   0.23709908  0.93514181  0.61884983
   0.24398111  0.75624948 -0.10032949
  -0.03675215  0.69361122  0.97498884
   0.60986924  0.01956410  0.05243081
   0.87528024  0.28284849  0.23285552
   0.65809067  0.34292115 -0.03258124
   0.90084023  0.54479725  0.28682483
   0.02015528  0.44644264  0.11979421
   0.75908494  0.44461196  0.09419856
   0.70024043  0.24009046  0.38644596
   0.47192831  0.14461325  0.45752245
   0.70824884  0.09137450  0.53451369
   0.92039743  0.24840271  0.82001143
   0.60030744  0.33972110  0.57223680
   0.87017119  0.55837584  0.88780340
   1.13365450  0.55781954  0.56221794
   0.73208559  0.44643456  0.67452846
   0.75606721  0.11616943  0.89316646
   0.46084980  0.07584040  0.88251050
   0.53068671  0.56859236  0.01582922
   0.83042336  0.77746731  0.29858556
   0.56962519  0.80948392  0.06108992
   0.76404248  0.99611709  0.33344780
   0.89555414  0.92900804  0.05490096
   0.69352671  0.86940457  0.17793425
   0.78510107  0.62583422  0.42464062
   0.54705368  0.66168331  0.41058379
   0.60605684  0.56221317  0.57562697
   0.88305166  0.78963749  0.79843085
   0.72801821  0.79070999  0.49838363
   0.92055472  0.97839690  0.81142048
   0.99614256  0.87567744  0.67869804
   0.78386179  0.93741817  0.71401601
   0.69583564  0.67643100  0.95023013
   0.46917169  0.69783316  0.90079827
   2.14866719  0.28819161  2.76879579
   0.64571653  0.82127751  1.14733061
   1.99654018  0.23236607  0.90712868
   1.88776768  2.36317634 -0.15878129
  -3.19100217  0.12355542  0.45108100
   0.05758801  0.56082153  0.41781639
   0.28533870  1.23964288 -0.05774523
  -0.17491444  1.38853087 -0.03981638
  -0.05388514  0.38062726  0.28184594
   2.23399383  1.70978343 -1.03215905
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.812886   -2.482766    0.988563
    -0.000000   17.850582    3.704149
    -0.000000    0.000000   15.419868
   Si   O    H 
    32    64    10
Direct configuration=  3919
   0.11200034  0.15479696  0.00399199
   0.34631524  0.12495303  0.40406714
   0.17061745  0.44535889  0.08186269
   0.85908805 -0.09624090  0.48269876
   0.12553369 -0.28012376  0.13011175
   0.33197768  0.07794206  0.84797125
   0.19877323  0.38098744  0.60145678
   0.34480083  0.39439383  0.75090573
   0.12166287  0.71506696 -0.02106675
   0.41812642  0.61515365  0.38060153
   0.15526597  0.97754665  0.11901157
   0.36620785  0.88983069  0.28548356
   0.12327454  0.63448007  0.48382310
   0.37475061  0.75704260  0.84518466
   0.08544488  0.92896365  0.59797770
   0.33772482  0.92252261  0.70068765
   0.52335702  0.03978507  0.98219237
   0.82184661  0.21595848  0.32834867
   0.62355479  0.42190410  0.05657064
   0.91747493  0.40927407  0.20463219
   0.59403329  0.22964000  0.46523252
   0.88787215  0.15669152  0.86636238
   0.60692876  0.42521690  0.61977625
   0.82149130  0.41393340  0.80165122
   0.55986375  0.66776615 -0.00889849
   0.89930891  0.59347931  0.37181825
   0.56572342  0.90599193  0.10237015
   0.74618512  0.83911061  0.27415707
   0.65916709  0.64483172  0.48527669
   0.89134574  0.67640834  0.92290371
   0.65213410  0.94130821  0.61867385
   0.88493675  0.89446897  0.77244009
   0.12331887  0.07543120  0.08327077
   0.34484641  0.17226411  0.31234490
   0.17327039  0.28437060  0.01498646
   0.42141956  0.54077484  0.32590703
   0.53938212  0.34567179  0.16144174
   0.27553764  0.43402701  0.13868009
   0.19909864  0.09039378  0.45737943
  -0.09362742  0.18804171  0.39750677
   0.02205028 -0.01408271  0.53248113
   0.34565158  0.27541908  0.82372379
   0.05956865  0.33438075  0.58523381
   0.31803764  0.52877603  0.79809850
   0.47133392  0.39882411  0.69963699
   0.21176184  0.37983173  0.71149779
   0.24324439  0.10503142 -0.07921517
  -0.00617003  0.16548683  0.94394455
   0.17004199  0.64746049  0.04525871
   0.34418817  0.80626719  0.28561007
   0.10678804  0.81640652  0.09494975
   0.37132615  0.96457313  0.33854598
   0.46449612  0.93305029  0.17251201
   0.19827792  0.92866763  0.20337110
   0.27672813  0.63374342  0.42634020
   0.03393524  0.60067109  0.41675097
   0.33001973  0.39205353  0.53567884
   0.36153787  0.80759119  0.74197082
   0.05986039  0.73242979  0.49664089
   0.33626954  1.02929669  0.77106497
   0.48958169  0.94019453  0.64425181
   0.23900881  0.93582111  0.61717277
   0.24605911  0.75659098 -0.10066030
  -0.03274781  0.69359240  0.97806671
   0.60970291  0.01711189  0.05210743
   0.87601508  0.28332338  0.23466198
   0.66077143  0.34662279 -0.03384574
   0.90066770  0.54539421  0.28858009
   0.01857159  0.44523311  0.11930971
   0.75666579  0.44459734  0.09505976
   0.70612186  0.23971518  0.38295315
   0.46774491  0.14315084  0.45676587
   0.70867099  0.09206233  0.53571043
   0.92570464  0.24915783  0.82043668
   0.59771502  0.34447391  0.57447797
   0.86930229  0.56229274  0.88951666
   1.13380940  0.55815663  0.56157826
   0.73105916  0.44629270  0.67208365
   0.75838362  0.11601126  0.89300677
   0.45912221  0.07639678  0.88149167
   0.53017544  0.56987108  0.01638451
   0.82950660  0.77735474  0.29915762
   0.57104016  0.81145092  0.06135267
   0.76337833  0.99465019  0.33505673
   0.89482306  0.92935844  0.05443853
   0.69285234  0.87083400  0.17737521
   0.78601124  0.62500416  0.42254799
   0.54588459  0.66074312  0.41066011
   0.60674679  0.56144192  0.57407342
   0.88866347  0.79276222  0.79844509
   0.72937308  0.79090999  0.49663356
   0.91968240  0.97670076  0.80941142
   0.99427559  0.87634562  0.68013096
   0.78290456  0.93626539  0.71434568
   0.69629627  0.67742867  0.95022219
   0.47025454  0.69882965  0.90119524
   2.26287979  0.29427447  2.82935440
   0.66385458  0.74899100  1.25565445
   1.98328808  0.21826892  0.91323278
   1.86961099  2.34294067 -0.14711787
  -3.30838853  0.16113035  0.43557443
   0.10390158  0.47894603  0.44216785
   0.25770188  1.23642582 -0.05847584
  -0.16889998  1.38767931 -0.06581771
  -0.26309058  0.30890990  0.14071873
   2.42814764  1.80467583 -1.11749422
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.835088   -2.571623    1.012661
    -0.000000   18.081550    3.798895
    -0.000000    0.000000   15.457103
   Si   O    H 
    32    64    10
Direct configuration=  3920
   0.11499909  0.15450419  0.00380585
   0.34427073  0.12481727  0.40462691
   0.16958045  0.44459900  0.08183073
   0.85901648 -0.09804800  0.48422145
   0.12790924 -0.27898427  0.13009867
   0.32800641  0.07605562  0.84689280
   0.19886571  0.38101200  0.60052633
   0.34580213  0.39452870  0.75173643
   0.11905199  0.71392854 -0.02247188
   0.41740668  0.61492705  0.38066014
   0.15517261  0.97882330  0.11830498
   0.36712936  0.89017461  0.28496159
   0.12211949  0.63603652  0.48358967
   0.37790139  0.75928924  0.84518095
   0.08657795  0.92933134  0.59937611
   0.33758917  0.92193305  0.70150171
   0.51913804  0.03703945  0.98216216
   0.82128771  0.21660329  0.32894354
   0.62495328  0.42149405  0.05599459
   0.91618125  0.40842193  0.20465729
   0.59105585  0.22967559  0.46130305
   0.88656273  0.15726349  0.86640830
   0.60641650  0.42413624  0.61895131
   0.82175194  0.41434165  0.80208707
   0.55901331  0.66661329 -0.00747184
   0.89904910  0.59346242  0.37219099
   0.56540346  0.90505205  0.10267950
   0.74601789  0.83951539  0.27436183
   0.66099197  0.64412993  0.48514477
   0.89423173  0.67548586  0.92284842
   0.65220769  0.94249812  0.61830815
   0.88456104  0.89436059  0.77403935
   0.12326588  0.07487759  0.08085943
   0.34598927  0.17167493  0.31278078
   0.17246657  0.28233142  0.01317592
   0.42040601  0.54328916  0.32614594
   0.53855300  0.34670582  0.16069667
   0.27581242  0.43545200  0.13708573
   0.20118115  0.08932605  0.45836691
  -0.09539992  0.18663662  0.39785541
   0.02499499 -0.01494537  0.53097571
   0.34816101  0.27720088  0.82223862
   0.06080805  0.33474630  0.58737683
   0.31840067  0.52686177  0.79654758
   0.47179484  0.39901741  0.69744525
   0.20886402  0.37958346  0.71071949
   0.24498923  0.10626050 -0.07950576
  -0.00566654  0.16482775  0.94329261
   0.16670454  0.64877359  0.04533570
   0.34412262  0.80880314  0.28655069
   0.10309064  0.81354398  0.09579210
   0.36961619  0.96261558  0.33745002
   0.46496585  0.93280636  0.17121090
   0.19885578  0.92839907  0.20293789
   0.27514945  0.63315755  0.42557638
   0.03224332  0.60619641  0.41712128
   0.32893367  0.39259635  0.53592579
   0.36264437  0.80907112  0.74495566
   0.06228344  0.72974787  0.49584081
   0.33591458  1.02828251  0.77146872
   0.48767495  0.93965261  0.64493965
   0.23982587  0.93613638  0.61575843
   0.24684472  0.75719007 -0.10032062
  -0.02434059  0.69514872  0.98349101
   0.61004498  0.01477720  0.05217131
   0.87648451  0.28391618  0.23627001
   0.66321650  0.34985996 -0.03452368
   0.90044331  0.54604026  0.29070367
   0.01715947  0.44385944  0.11905815
   0.75464808  0.44426025  0.09612188
   0.71178841  0.23916159  0.37962509
   0.46500133  0.14281551  0.45570947
   0.70866405  0.09284515  0.53615871
   0.93056624  0.24972766  0.82132433
   0.59433446  0.34905785  0.57615026
   0.86900726  0.56599620  0.89119976
   1.13325308  0.55839452  0.56063565
   0.73011249  0.44595071  0.67040630
   0.75894878  0.11560904  0.89336750
   0.45867431  0.07662844  0.88112803
   0.52966469  0.57120477  0.01678061
   0.82889340  0.77789621  0.29898313
   0.57218472  0.81369719  0.06125917
   0.76304512  0.99325619  0.33633263
   0.89455216  0.93001648  0.05417183
   0.69261035  0.87269642  0.17721468
   0.78676983  0.62401937  0.42089444
   0.54493241  0.65966925  0.41084926
   0.60724746  0.56055025  0.57179691
   0.89387299  0.79578033  0.79918919
   0.73124357  0.79091294  0.49488611
   0.91949296  0.97497162  0.80760967
   0.99175958  0.87680561  0.68174131
   0.78182365  0.93553966  0.71455309
   0.69741759  0.67822851  0.94951205
   0.47146553  0.69933568  0.90189159
   2.37155016  0.30002728  2.88459604
   0.68015399  0.68716508  1.35568032
   1.97869829  0.20808389  0.92707433
   1.85042934  2.32131801 -0.13603706
  -3.41568591  0.19048297  0.42796787
   0.14695774  0.40935795  0.46786131
   0.22669325  1.23178901 -0.05478572
  -0.16810813  1.38456992 -0.09075057
  -0.45634942  0.24651975  0.01334374
   2.61788002  1.90283378 -1.18867207
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.856283   -2.656843    1.036290
    -0.000000   18.303732    3.891010
    -0.000000    0.000000   15.493097
   Si   O    H 
    32    64    10
Direct configuration=  3921
   0.11846212  0.15431280  0.00375946
   0.34174042  0.12448878  0.40551596
   0.16909866  0.44394904  0.08151628
   0.85872564 -0.09994537  0.48576352
   0.12995172 -0.27765220  0.13003026
   0.32447213  0.07446921  0.84586590
   0.19893543  0.38085022  0.59988647
   0.34661337  0.39466697  0.75265344
   0.11731051  0.71306085 -0.02353294
   0.41663180  0.61448559  0.38056323
   0.15504534  0.98010697  0.11784780
   0.36831360  0.89085389  0.28399477
   0.12125399  0.63743331  0.48386164
   0.38042610  0.76092515  0.84544512
   0.08807663  0.92969010  0.60049002
   0.33762767  0.92149185  0.70260217
   0.51464555  0.03483480  0.98186803
   0.82121464  0.21685289  0.32906296
   0.62614427  0.42086120  0.05596706
   0.91468015  0.40747426  0.20474500
   0.58855565  0.23144658  0.45942948
   0.88581728  0.15787785  0.86610971
   0.60602012  0.42310393  0.61773903
   0.82198753  0.41461324  0.80184238
   0.55823732  0.66558654 -0.00628321
   0.89921257  0.59351410  0.37247791
   0.56584535  0.90437729  0.10299109
   0.74583698  0.83983719  0.27405262
   0.66245676  0.64339654  0.48525731
   0.89546999  0.67421501  0.92189130
   0.65235772  0.94304688  0.61808151
   0.88414746  0.89421471  0.77514567
   0.12282445  0.07421725  0.07779325
   0.34679529  0.17159120  0.31303539
   0.17217261  0.28013540  0.01082874
   0.41946983  0.54567010  0.32731895
   0.53832199  0.34731462  0.15962770
   0.27625812  0.43639649  0.13564906
   0.20284303  0.08832891  0.45911358
  -0.09663615  0.18541370  0.39815671
   0.02757429 -0.01586421  0.52886999
   0.34995024  0.27935531  0.82181984
   0.06256873  0.33541535  0.58887987
   0.31882930  0.52500868  0.79494001
   0.47243840  0.39892061  0.69504681
   0.20693647  0.37977217  0.70970538
   0.24612382  0.10777944 -0.07997441
  -0.00515960  0.16298300  0.94264986
   0.16379768  0.64983829  0.04538401
   0.34439337  0.81082238  0.28766721
   0.09924493  0.81081965  0.09687286
   0.36850321  0.96058996  0.33639671
   0.46597812  0.93271493  0.16995243
   0.19907001  0.92843788  0.20179063
   0.27403366  0.63256731  0.42514449
   0.02927257  0.61034996  0.41715974
   0.32780714  0.39295692  0.53603657
   0.36383103  0.81038845  0.74855621
   0.06423094  0.72701274  0.49514831
   0.33567381  1.02736108  0.77154175
   0.48623416  0.93948838  0.64543389
   0.24032230  0.93644531  0.61447487
   0.24794228  0.75786172 -0.10000339
  -0.01572263  0.69678306  0.99019664
   0.61107725  0.01252068  0.05256130
   0.87681254  0.28460063  0.23786987
   0.66530784  0.35279387 -0.03451277
   0.89985755  0.54657877  0.29327482
   0.01640889  0.44261019  0.11832836
   0.75256351  0.44419935  0.09705420
   0.71657936  0.23914638  0.37688539
   0.46304521  0.14241322  0.45507627
   0.70802885  0.09323552  0.53657302
   0.93393419  0.24989174  0.82239280
   0.59115295  0.35299128  0.57753992
   0.86913816  0.56973182  0.89272818
   1.13292154  0.55858691  0.56021533
   0.72952693  0.44598965  0.66888197
   0.75767423  0.11477067  0.89436965
   0.45856905  0.07712565  0.88012705
   0.52906397  0.57242180  0.01708371
   0.82799889  0.77797457  0.29860339
   0.57331838  0.81563222  0.06140400
   0.76285554  0.99202886  0.33736004
   0.89387640  0.93124082  0.05407094
   0.69207995  0.87433455  0.17738752
   0.78711797  0.62324525  0.41958005
   0.54446960  0.65882797  0.41067514
   0.60779628  0.56003459  0.56915395
   0.89737216  0.79836235  0.80006443
   0.73320648  0.79125534  0.49419010
   0.91977194  0.97317346  0.80577448
   0.99038355  0.87732802  0.68346838
   0.78046522  0.93483595  0.71464567
   0.69984219  0.67965192  0.94894485
   0.47163084  0.70007472  0.90247596
   2.46885752  0.30323187  2.92421564
   0.69528671  0.63389740  1.44393772
   1.97695418  0.22181848  0.94168788
   1.83442741  2.30395825 -0.12825447
  -3.51862956  0.16498349  0.38025078
   0.18261820  0.34606187  0.49582693
   0.19759136  1.22795501 -0.04666870
  -0.17076524  1.38244218 -0.11035038
  -0.62642145  0.19419176 -0.10148469
   2.78841686  1.99099728 -1.25398236
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.876342   -2.739166    1.059148
    -0.000000   18.516893    3.980522
    -0.000000    0.000000   15.527617
   Si   O    H 
    32    64    10
Direct configuration=  3922
   0.12130215  0.15376102  0.00387334
   0.33887069  0.12379124  0.40654877
   0.16872381  0.44343503  0.08125606
   0.85901500 -0.10161983  0.48710404
   0.13221858 -0.27643232  0.13014231
   0.32145950  0.07291642  0.84506253
   0.19867325  0.38073488  0.59940567
   0.34731401  0.39482127  0.75378987
   0.11737380  0.71250633 -0.02472122
   0.41611924  0.61374061  0.38039938
   0.15460965  0.98142685  0.11761529
   0.36949970  0.89194066  0.28303551
   0.12094051  0.63888227  0.48417674
   0.38281971  0.76207486  0.84549054
   0.08950244  0.92982557  0.60152566
   0.33781023  0.92116088  0.70332916
   0.51031308  0.03279705  0.98149869
   0.82094724  0.21686104  0.32878555
   0.62723798  0.42017820  0.05633758
   0.91271456  0.40649019  0.20542363
   0.58654077  0.23298120  0.45793725
   0.88549802  0.15860634  0.86568161
   0.60606382  0.42233411  0.61691792
   0.82304809  0.41541318  0.80133510
   0.55766302  0.66464976 -0.00547093
   0.90016630  0.59331084  0.37276981
   0.56646011  0.90324005  0.10354646
   0.74586592  0.84000331  0.27369060
   0.65960940  0.64371189  0.49075326
   0.89586320  0.67273172  0.92088218
   0.65231808  0.94382885  0.61767214
   0.88395122  0.89371922  0.77598191
   0.12232935  0.07411605  0.07459382
   0.34802513  0.17173147  0.31296008
   0.17169918  0.27777789  0.00843433
   0.41857478  0.54812148  0.32866478
   0.53864831  0.34763074  0.15799295
   0.27710723  0.43711110  0.13423569
   0.20491053  0.08769011  0.46075775
  -0.09781183  0.18429718  0.39843157
   0.02939726 -0.01666337  0.52733840
   0.35232995  0.28173876  0.82125571
   0.06434995  0.33652801  0.58986662
   0.31923535  0.52334368  0.79341205
   0.47344432  0.39890471  0.69248243
   0.20587983  0.37985047  0.70862209
   0.24761875  0.10897259 -0.08030065
  -0.00418520  0.16187999  0.94195145
   0.16153583  0.65100490  0.04559807
   0.34400962  0.81235937  0.28935959
   0.09569209  0.80755721  0.09804809
   0.36724066  0.95814148  0.33581233
   0.46686455  0.93236824  0.16876746
   0.19818735  0.92875841  0.20060197
   0.27312943  0.63204069  0.42486013
   0.02520060  0.61372302  0.41684470
   0.32661053  0.39295733  0.53644602
   0.36479222  0.81173321  0.75188303
   0.06610360  0.72421876  0.49457288
   0.33528621  1.02622706  0.77159304
   0.48502369  0.93972631  0.64615539
   0.24116573  0.93684663  0.61358294
   0.24879028  0.75885796 -0.09944542
  -0.01022849  0.69840740  0.99580680
   0.61219409  0.01075121  0.05254847
   0.87759981  0.28480019  0.23936249
   0.66770858  0.35552538 -0.03453611
   0.89901842  0.54680657  0.29599197
   0.01567634  0.44167015  0.11841750
   0.75114026  0.44437285  0.09771185
   0.71933680  0.23957672  0.37481281
   0.46210097  0.14228248  0.45441425
   0.70691350  0.09351603  0.53769330
   0.93679956  0.25022165  0.82266588
   0.58824890  0.35662274  0.57859567
   0.86955837  0.57328870  0.89404162
   1.13224948  0.55908916  0.55949704
   0.72849044  0.44556715  0.66742405
   0.75546706  0.11368540  0.89567211
   0.45798595  0.07760720  0.87954169
   0.52808657  0.57360202  0.01724498
   0.82670812  0.77775101  0.29834471
   0.57367081  0.81755358  0.06093961
   0.76292982  0.99077322  0.33847448
   0.89322690  0.93284724  0.05385014
   0.69077143  0.87540591  0.17813873
   0.78806964  0.62229558  0.41810457
   0.54458032  0.65865288  0.41049771
   0.60917679  0.55963603  0.56656788
   0.90013959  0.80059207  0.80160136
   0.73507874  0.79166473  0.49390807
   0.91980447  0.97170417  0.80416026
   0.98906435  0.87806471  0.68539129
   0.77927357  0.93506409  0.71412896
   0.70264954  0.68119607  0.94852376
   0.47218039  0.70095307  0.90220445
   2.55347136  0.30575210  2.96079558
   0.81422644  0.55754319  1.38348194
   1.98451987  0.22059579  0.95469877
   1.82175165  2.29164789 -0.12268804
  -3.60335056  0.14490645  0.33420162
   0.21026338  0.28764448  0.52686711
   0.17694798  1.23013266 -0.03912480
  -0.17411859  1.37558456 -0.11658493
  -0.77843834  0.15220362 -0.20763570
   2.94472248  2.05953277 -1.31962064
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.894480   -2.818837    1.081378
    -0.000000   18.721408    4.068115
    -0.000000    0.000000   15.559876
   Si   O    H 
    32    64    10
Direct configuration=  3923
   0.12413744  0.15327243  0.00436042
   0.33484322  0.12268336  0.40933947
   0.16778376  0.44302717  0.08135271
   0.85957245 -0.10303421  0.48816499
   0.13477933 -0.27518609  0.13073583
   0.31836925  0.07138453  0.84444184
   0.19878613  0.38112586  0.59845030
   0.34763972  0.39477520  0.75506913
   0.11927180  0.71191876 -0.02572002
   0.41606267  0.61268540  0.38025105
   0.15428443  0.98249314  0.11777727
   0.37089761  0.89344028  0.28187057
   0.12056647  0.64035156  0.48460604
   0.38480657  0.76288958  0.84552398
   0.09028171  0.92970831  0.60260484
   0.33832162  0.92087164  0.70367057
   0.50575294  0.03092317  0.98102628
   0.82108459  0.21642887  0.32851684
   0.62805783  0.41942429  0.05674295
   0.91049743  0.40550361  0.20634366
   0.58472623  0.23433884  0.45667435
   0.88523141  0.15963378  0.86520809
   0.60603202  0.42181138  0.61672298
   0.82365128  0.41637701  0.80061428
   0.55761409  0.66360682 -0.00457801
   0.90433656  0.59409813  0.37234342
   0.56752978  0.90215708  0.10413041
   0.74584474  0.83995134  0.27316801
   0.65717968  0.64354030  0.49588832
   0.89635019  0.67136187  0.91938022
   0.65252861  0.94444451  0.61732503
   0.88427587  0.89304620  0.77637520
   0.12107744  0.07400055  0.07204020
   0.34828707  0.17309087  0.31229839
   0.17131147  0.27586222  0.00587749
   0.41851268  0.55002841  0.32967483
   0.53917641  0.34820478  0.15604755
   0.27847922  0.43766689  0.13311067
   0.20658673  0.08764123  0.46227001
  -0.09859785  0.18319291  0.39841893
   0.03054049 -0.01812859  0.52623129
   0.35453666  0.28446077  0.82077786
   0.06592447  0.33763727  0.59097052
   0.31906651  0.52173678  0.79248549
   0.47456683  0.39861576  0.69008599
   0.20593545  0.38043962  0.70742247
   0.24858560  0.11032883 -0.08033420
  -0.00320893  0.16186536  0.94160276
   0.15881895  0.65227750  0.04546675
   0.34358628  0.81340619  0.29052997
   0.09228804  0.80469772  0.09899533
   0.36619716  0.95579491  0.33492325
   0.46802557  0.93220406  0.16759730
   0.19740355  0.92875776  0.19918732
   0.27311324  0.63172693  0.42433886
   0.02139616  0.61664512  0.41662017
   0.32507087  0.39281243  0.53739182
   0.36611002  0.81314625  0.75478889
   0.06797789  0.72142140  0.49389653
   0.33435930  1.02481961  0.77122195
   0.48475187  0.94006167  0.64681801
   0.24161235  0.93728003  0.61333299
   0.24861901  0.75964583 -0.09843125
  -0.00951229  0.69989145  1.00096030
   0.61261598  0.00919303  0.05269875
   0.87856662  0.28507586  0.24010421
   0.66814630  0.35785758 -0.03442668
   0.89822459  0.54673083  0.29892566
   0.01583187  0.44105228  0.11824061
   0.74918013  0.44399268  0.09898502
   0.71989886  0.24064471  0.37319981
   0.46118311  0.14227227  0.45367877
   0.70647358  0.09353276  0.53882241
   0.93870626  0.25067095  0.82313958
   0.58590534  0.35937679  0.57883952
   0.87028547  0.57681995  0.89501493
   1.13199065  0.55960601  0.55877764
   0.72766402  0.44525018  0.66597262
   0.75254056  0.11253793  0.89653236
   0.45777795  0.07843255  0.87873329
   0.52687725  0.57439015  0.01745437
   0.82470830  0.77792882  0.29789127
   0.57330596  0.81933669  0.06051065
   0.76305010  0.98893186  0.33964927
   0.89255683  0.93406563  0.05388847
   0.68929472  0.87659923  0.17900955
   0.78873264  0.62167763  0.41674850
   0.54587210  0.65843815  0.41063206
   0.61072732  0.55944650  0.56361009
   0.90236271  0.80239745  0.80363649
   0.73767868  0.79247065  0.49367143
   0.92048135  0.97076559  0.80263223
   0.98874859  0.87943768  0.68669837
   0.77747085  0.93559437  0.71349253
   0.70507814  0.68287393  0.94847511
   0.47294037  0.70172889  0.90206756
   2.64440519  0.31280807  2.99358443
   0.84030835  0.45859373  1.33845023
   1.99408130  0.20593045  0.96364661
   1.81707706  2.28071033 -0.11787696
  -3.63445026  0.11695975  0.26131850
   0.23224310  0.23875616  0.55739546
   0.16754278  1.24265376 -0.03279428
  -0.17566822  1.36165412 -0.10951937
  -0.91353912  0.11349169 -0.30380306
   3.08221223  2.11782755 -1.37355860
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.910363   -2.895248    1.103108
    -0.000000   18.917583    4.153303
    -0.000000    0.000000   15.591044
   Si   O    H 
    32    64    10
Direct configuration=  3924
   0.12762249  0.15278041  0.00464636
   0.33055631  0.12139660  0.41205102
   0.16706565  0.44244802  0.08142357
   0.85973209 -0.10442130  0.48948436
   0.13668996 -0.27437789  0.13110165
   0.31564519  0.07000619  0.84399324
   0.19863903  0.38149542  0.59754618
   0.34764710  0.39450803  0.75602588
   0.12278357  0.71156226 -0.02639559
   0.41591558  0.61176970  0.38019158
   0.15455927  0.98350772  0.11785598
   0.37252023  0.89494386  0.28025778
   0.12032354  0.64175240  0.48498574
   0.38757505  0.76356146  0.84557884
   0.09115927  0.92963480  0.60329225
   0.33895097  0.92075314  0.70352311
   0.50120619  0.02912706  0.98059479
   0.82194317  0.21586332  0.32820209
   0.62884113  0.41877196  0.05733619
   0.90860403  0.40497952  0.20713409
   0.58296612  0.23542110  0.45542849
   0.88451479  0.16075982  0.86459588
   0.60569790  0.42149761  0.61715099
   0.82476884  0.41760424  0.79988404
   0.55766393  0.66269894 -0.00349446
   0.90708119  0.59461458  0.37219005
   0.56870188  0.90136432  0.10447211
   0.74579749  0.83997657  0.27220826
   0.65466619  0.64320258  0.50053826
   0.89641421  0.67000728  0.91794538
   0.65289179  0.94517283  0.61735333
   0.88481400  0.89275328  0.77645348
   0.11949839  0.07392501  0.07004912
   0.34920762  0.17451970  0.31165505
   0.17068234  0.27432437  0.00321085
   0.41804947  0.55162270  0.33130498
   0.53986967  0.34876044  0.15352321
   0.27971913  0.43785232  0.13264688
   0.20833448  0.08751742  0.46429899
  -0.09989356  0.18176790  0.39883585
   0.03132410 -0.01985486  0.52542794
   0.35650104  0.28698887  0.82006698
   0.06756103  0.33865597  0.59170580
   0.31917694  0.52000355  0.79165139
   0.47485744  0.39815833  0.68834336
   0.20647032  0.38116857  0.70645571
   0.24937734  0.11157236 -0.08062298
  -0.00259334  0.16216257  0.94216794
   0.15669296  0.65363342  0.04617559
   0.34343580  0.81393337  0.29158081
   0.08891676  0.80180772  0.09998868
   0.36508320  0.95365225  0.33384870
   0.46827259  0.93190465  0.16667558
   0.19658896  0.92893751  0.19707528
   0.27333039  0.63149114  0.42391072
   0.01756823  0.61896941  0.41596419
   0.32365932  0.39251691  0.53837197
   0.36685278  0.81417283  0.75742345
   0.07013105  0.71880269  0.49292308
   0.33358389  1.02383158  0.77055020
   0.48479817  0.94011418  0.64737747
   0.24119301  0.93765649  0.61361178
   0.24845532  0.76032369 -0.09680854
  -0.01088238  0.70163420  1.00557696
   0.61238647  0.00745756  0.05300689
   0.87975238  0.28543662  0.24122512
   0.66952327  0.36185112 -0.03484720
   0.89658269  0.54598361  0.30209916
   0.01699845  0.44079789  0.11784341
   0.74741247  0.44383331  0.10069259
   0.71913239  0.24169885  0.37184813
   0.46132270  0.14233044  0.45283911
   0.70633338  0.09323757  0.53951717
   0.94017204  0.25080392  0.82385979
   0.58315794  0.36144696  0.57787315
   0.87133606  0.58013770  0.89628287
   1.13220393  0.56025112  0.55837693
   0.72716972  0.44493598  0.66513015
   0.74913120  0.11103954  0.89724557
   0.45776404  0.07945227  0.87854321
   0.52486306  0.57520808  0.01758828
   0.82168423  0.77806881  0.29714643
   0.57278138  0.82134455  0.06044698
   0.76250868  0.98738527  0.34145136
   0.89218059  0.93503043  0.05377984
   0.68801010  0.87741795  0.18067481
   0.78982035  0.62123067  0.41583476
   0.54626602  0.65865798  0.41082971
   0.61258537  0.55938228  0.56098190
   0.90379205  0.80384791  0.80633849
   0.74033532  0.79347156  0.49315005
   0.92119475  0.96998947  0.80176605
   0.98883136  0.88068025  0.68725498
   0.77530274  0.93566072  0.71283967
   0.70762618  0.68428952  0.94829376
   0.47335763  0.70253264  0.90141597
   2.72337726  0.29420611  3.03040163
   0.86970880  0.37739987  1.29370041
   1.99713314  0.18721796  0.96350178
   1.82158013  2.27417583 -0.11701853
  -3.66299611  0.09767948  0.19971516
   0.25014485  0.19490586  0.58488159
   0.16837087  1.25850115 -0.03040607
  -0.18105845  1.34426425 -0.09900493
  -1.03321681  0.08044082 -0.40022442
   3.20892131  2.16957889 -1.41371063
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.924069   -2.968692    1.124501
    -0.000000   19.104870    4.235326
    -0.000000    0.000000   15.620393
   Si   O    H 
    32    64    10
Direct configuration=  3925
   0.13097853  0.15181319  0.00478981
   0.32702050  0.12020708  0.41451267
   0.16642586  0.44211714  0.08127311
   0.85954862 -0.10578995  0.49061600
   0.13872011 -0.27365757  0.13135984
   0.31297485  0.06885660  0.84372598
   0.19853105  0.38187435  0.59671879
   0.34791575  0.39420881  0.75718617
   0.12698437  0.71141531 -0.02773063
   0.41540956  0.61072369  0.37990448
   0.15450301  0.98461196  0.11808244
   0.37409382  0.89634674  0.27857209
   0.12092360  0.64303441  0.48541815
   0.38948164  0.76348185  0.84626502
   0.09217831  0.92978244  0.60375085
   0.33944932  0.92072679  0.70349780
   0.49706452  0.02760480  0.98030176
   0.82345186  0.21583739  0.32759152
   0.62941809  0.41824464  0.05768890
   0.90731799  0.40446329  0.20740560
   0.58199078  0.23632841  0.45422878
   0.88381094  0.16186455  0.86431151
   0.60517669  0.42158044  0.61811542
   0.82519262  0.41866362  0.79899260
   0.55805155  0.66221594 -0.00311920
   0.90904817  0.59506968  0.37186080
   0.56994306  0.90065864  0.10512830
   0.74620023  0.84007973  0.27127421
   0.65277442  0.64268913  0.50417182
   0.89654369  0.66888933  0.91660805
   0.65331512  0.94575462  0.61722914
   0.88483592  0.89256295  0.77639178
   0.11823128  0.07401585  0.06816246
   0.35002732  0.17574606  0.31100622
   0.16982928  0.27680556  0.00872785
   0.41756247  0.55279633  0.33294605
   0.54056004  0.34917118  0.15090887
   0.28158693  0.43831067  0.13244577
   0.20831759  0.08743111  0.46662285
  -0.10102637  0.18059621  0.39896577
   0.03129391 -0.02168544  0.52548893
   0.35812546  0.28972670  0.81976574
   0.06802308  0.33959101  0.59243852
   0.31907606  0.51856173  0.79135424
   0.47472649  0.39796335  0.68682179
   0.20802914  0.38218035  0.70581572
   0.25021127  0.11258510 -0.08093437
  -0.00137550  0.15499838  0.93805189
   0.15558778  0.65512358  0.04702448
   0.34327263  0.81404633  0.29252117
   0.08586880  0.79913947  0.10078018
   0.36407465  0.95176174  0.33282911
   0.46847611  0.93130245  0.16623540
   0.19612070  0.92911459  0.19474990
   0.27406250  0.63150415  0.42355735
   0.01556757  0.62120350  0.41544995
   0.32332947  0.39245285  0.53856434
   0.36744855  0.81503147  0.76009572
   0.07207490  0.71643227  0.49236325
   0.33230084  1.02236638  0.76956532
   0.48554535  0.93983420  0.64802576
   0.24102113  0.93825483  0.61359064
   0.24720617  0.76059482 -0.09528080
  -0.01461032  0.70314253  1.00884020
   0.61242067  0.00566392  0.05305015
   0.88085812  0.28586833  0.24200093
   0.67066892  0.36516448 -0.03395107
   0.89520610  0.54561731  0.30496041
   0.01784688  0.44044289  0.11788657
   0.74617503  0.44370372  0.10203698
   0.71658731  0.24278183  0.37048761
   0.46164878  0.14212241  0.45261381
   0.70570434  0.09253867  0.53993881
   0.94105927  0.25109292  0.82411526
   0.58026582  0.36250118  0.57652253
   0.87319993  0.58318988  0.89699525
   1.13239758  0.56117325  0.55727301
   0.72648228  0.44480903  0.66441132
   0.74697947  0.10966083  0.89820789
   0.45811510  0.08025495  0.87894388
   0.52255411  0.57599535  0.01772985
   0.81834720  0.77834928  0.29641368
   0.57202917  0.82338970  0.06010291
   0.76224851  0.98578274  0.34275034
   0.89193945  0.93562867  0.05384335
   0.68754978  0.87839021  0.18223466
   0.79095525  0.62078085  0.41483664
   0.54645377  0.65861370  0.41140023
   0.61339600  0.55982117  0.55832641
   0.90391072  0.80449953  0.80926267
   0.74245797  0.79490855  0.49271478
   0.92120797  0.96930161  0.80145998
   0.98906986  0.88193986  0.68728106
   0.77278887  0.93540074  0.71185556
   0.71011499  0.68598760  0.94811753
   0.47260754  0.70332346  0.90078634
   2.78940241  0.28332930  3.05829035
   0.89132962  0.30508693  1.26424175
   1.98929281  0.29075548  1.04460591
   1.83165325  2.27104279 -0.12025205
  -3.69200187  0.08166501  0.14764745
   0.29179457  0.17598722  0.61044041
   0.16579628  1.21311116 -0.15694884
  -0.18728466  1.32583768 -0.09109120
  -1.14280730  0.04949073 -0.48842575
   3.29489515  2.19677704 -1.44953045
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.935473   -3.040354    1.144877
    -0.000000   19.286805    4.316962
    -0.000000    0.000000   15.648284
   Si   O    H 
    32    64    10
Direct configuration=  3926
   0.13419460  0.15127486  0.00506288
   0.32441012  0.11921802  0.41617246
   0.16592341  0.44145077  0.08102272
   0.85895388 -0.10768546  0.49191375
   0.14084444 -0.27256133  0.13141422
   0.31049862  0.06828720  0.84299556
   0.19861247  0.38213158  0.59614702
   0.34807821  0.39418477  0.75791101
   0.13083357  0.71087782 -0.02843679
   0.41483497  0.60991232  0.37970888
   0.15543728  0.98572872  0.11873175
   0.37622497  0.89765735  0.27673641
   0.12187192  0.64403881  0.48604011
   0.39138213  0.76322746  0.84735403
   0.09331626  0.93069519  0.60338137
   0.33924863  0.92090260  0.70392561
   0.49404212  0.02655383  0.98009160
   0.82678242  0.21774830  0.32640934
   0.63081279  0.41725855  0.05765103
   0.90693099  0.40598458  0.20479919
   0.58235857  0.23699612  0.45244353
   0.88374073  0.16291982  0.86442475
   0.60462235  0.42191962  0.61959189
   0.82622906  0.42000811  0.79755957
   0.55821023  0.66183183 -0.00321269
   0.90980193  0.59536377  0.37165981
   0.57115260  0.90005807  0.10558335
   0.74670184  0.84035397  0.27046339
   0.65120542  0.64230854  0.50700530
   0.89652351  0.66790324  0.91595751
   0.65426132  0.94630651  0.61723255
   0.88533828  0.89197131  0.77622887
   0.11766292  0.07422162  0.06797801
   0.35045461  0.17660704  0.30976201
   0.16975296  0.27796301  0.01327858
   0.41735199  0.55404587  0.33416925
   0.54053676  0.34960794  0.14838718
   0.28415481  0.43877691  0.13200938
   0.20885839  0.08765781  0.46867591
  -0.10300313  0.17821089  0.39937481
   0.03174082 -0.02424982  0.52588265
   0.35732650  0.29231400  0.81987539
   0.06919798  0.34044037  0.59283567
   0.31936560  0.51627197  0.79078598
   0.47360210  0.39775380  0.68661522
   0.21095004  0.38357616  0.70475492
   0.25130908  0.11427270 -0.08369676
   0.00056630  0.14818261  0.93472030
   0.15420859  0.65631866  0.04782119
   0.34216623  0.81414746  0.29395246
   0.08385342  0.79674380  0.10074435
   0.36311771  0.94996669  0.33225542
   0.46796446  0.93057123  0.16639136
   0.19448173  0.92903380  0.19159321
   0.27490480  0.63134040  0.42323313
   0.01479818  0.62302717  0.41508104
   0.32228532  0.39213099  0.53878332
   0.36755045  0.81582466  0.76276171
   0.07411681  0.71386211  0.49127294
   0.33153668  1.02114770  0.76870653
   0.48631031  0.94010057  0.64827833
   0.23991210  0.93819300  0.61422055
   0.24721021  0.76149204 -0.09408675
  -0.01954156  0.70433669  1.01055534
   0.61267228  0.00398836  0.05275744
   0.87654819  0.27915975  0.24242198
   0.67128216  0.36912691 -0.03329573
   0.89478464  0.54605066  0.30782446
   0.01687165  0.43901476  0.11895936
   0.74552859  0.44403630  0.10247117
   0.71731368  0.24494205  0.36635680
   0.46286853  0.14220869  0.45308495
   0.70420287  0.09217078  0.54033544
   0.94104742  0.25225965  0.82388763
   0.57844954  0.36229333  0.57420609
   0.87513278  0.58614471  0.89758028
   1.13237248  0.56220253  0.55620399
   0.72496873  0.44451852  0.66349107
   0.74551027  0.10866196  0.89871016
   0.45715210  0.08078689  0.87947468
   0.52072016  0.57707912  0.01767561
   0.81542699  0.77883268  0.29582477
   0.57151637  0.82605207  0.06034480
   0.76217212  0.98428005  0.34349077
   0.89258370  0.93580535  0.05363939
   0.68709543  0.87890579  0.18346193
   0.79187523  0.62051714  0.41363032
   0.54730285  0.65877108  0.41161947
   0.61397651  0.55999511  0.55577195
   0.90338297  0.80478464  0.81224188
   0.74446577  0.79639610  0.49227270
   0.92160797  0.96882182  0.80128243
   0.98985152  0.88356486  0.68722843
   0.77068729  0.93521816  0.71004065
   0.71254651  0.68765640  0.94860880
   0.47192539  0.70428607  0.90017350
   2.86516617  0.29275813  3.08856541
   0.88919493  0.22332295  1.37501126
   1.93110762  0.39036036  1.13499655
   1.83582499  2.28905795 -0.11208939
  -3.75452374  0.05290480  0.10031724
   0.31191208  0.16221907  0.66787545
   0.15227621  1.16639529 -0.26883947
  -0.17970969  1.26212177 -0.06793336
  -1.25793094  0.04611274 -0.58151285
   3.34728069  2.21527642 -1.48238188
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.944728   -3.109721    1.164553
    -0.000000   19.460906    4.396520
    -0.000000    0.000000   15.675193
   Si   O    H 
    32    64    10
Direct configuration=  3927
   0.13757426  0.15114304  0.00510084
   0.32394801  0.11876787  0.41702968
   0.16656537  0.44102097  0.08060766
   0.85762940 -0.10974479  0.49310148
   0.14288574 -0.27157286  0.13148637
   0.30840582  0.06770159  0.84243920
   0.19878408  0.38238656  0.59595804
   0.34763144  0.39425949  0.75865823
   0.13375646  0.71049058 -0.02882502
   0.41420357  0.60953736  0.37986527
   0.15658337  0.98671767  0.11954721
   0.37798853  0.89872250  0.27484844
   0.12245870  0.64476099  0.48681572
   0.39285949  0.76285786  0.84854573
   0.09423157  0.93142046  0.60318084
   0.33914884  0.92106290  0.70417377
   0.49143448  0.02559754  0.98045900
   0.82796327  0.21919311  0.32413603
   0.63160052  0.41555045  0.05762628
   0.90624829  0.40772280  0.20369088
   0.58303353  0.23763582  0.45049811
   0.88402544  0.16383876  0.86498994
   0.60407141  0.42241243  0.62094695
   0.82696307  0.42131242  0.79564523
   0.55841272  0.66115776 -0.00370069
   0.90936127  0.59529783  0.37114751
   0.57159599  0.89913609  0.10621311
   0.74711262  0.84041506  0.26953726
   0.64978559  0.64201694  0.50956242
   0.89626532  0.66708707  0.91488489
   0.65405605  0.94682013  0.61694005
   0.88564316  0.89112573  0.77595626
   0.11590248  0.07395602  0.06777738
   0.35059107  0.17708512  0.30883456
   0.16847546  0.27814197  0.01788958
   0.41744731  0.55482553  0.33515415
   0.54036565  0.35048320  0.14573921
   0.28622209  0.43920074  0.13140485
   0.20736807  0.08768727  0.47185757
  -0.10445875  0.17539766  0.39858256
   0.03176225 -0.02688422  0.52627620
   0.35610726  0.29466669  0.81944841
   0.07000434  0.34126286  0.59288879
   0.31996378  0.51417512  0.78982978
   0.47226041  0.39777819  0.68700887
   0.21403226  0.38520865  0.70407752
   0.25160895  0.11572704 -0.08614729
   0.00159843  0.14214009  0.93127539
   0.15375006  0.65752723  0.04850640
   0.34096224  0.81382112  0.29512690
   0.08162860  0.79400860  0.10104053
   0.36224444  0.94882610  0.33222642
   0.46759356  0.92958427  0.16668995
   0.19252061  0.92866233  0.18873729
   0.27671692  0.63142315  0.42248386
   0.01607146  0.62484263  0.41523338
   0.32076855  0.39141879  0.53890254
   0.36713342  0.81679143  0.76474476
   0.07559053  0.71140304  0.49054722
   0.33078796  1.02027637  0.76795323
   0.48759412  0.94018780  0.64851478
   0.23854740  0.93808042  0.61474606
   0.24768384  0.76235352 -0.09305061
  -0.02430518  0.70531909  1.01154220
   0.61246383  0.00222912  0.05214242
   0.87401502  0.27341914  0.24200797
   0.67093635  0.37296983 -0.03301385
   0.89483979  0.54603190  0.31073882
   0.01651135  0.43840056  0.11974966
   0.74619067  0.44480780  0.10253731
   0.71738991  0.24661514  0.36234810
   0.46443733  0.14271429  0.45334322
   0.70231849  0.09197537  0.54075604
   0.94089466  0.25319654  0.82348455
   0.57794317  0.36182968  0.57168413
   0.87765988  0.58929432  0.89785552
   1.13303638  0.56317240  0.55561722
   0.72347212  0.44428869  0.66339767
   0.74440355  0.10777297  0.89958781
   0.45658728  0.08135857  0.87961665
   0.51900241  0.57832848  0.01749866
   0.81277570  0.77955816  0.29516057
   0.57164813  0.82853028  0.06032843
   0.76162949  0.98256109  0.34448575
   0.89362079  0.93588157  0.05344366
   0.68686967  0.87942546  0.18517414
   0.79249809  0.62057081  0.41270331
   0.54777217  0.65886839  0.41237287
   0.61394890  0.56063054  0.55330649
   0.90265596  0.80504571  0.81525682
   0.74670834  0.79793345  0.49135916
   0.92149444  0.96808914  0.80140662
   0.99056584  0.88516549  0.68721575
   0.76869291  0.93495515  0.70877917
   0.71475680  0.68872853  0.94903129
   0.47089347  0.70521282  0.89947715
   2.93450806  0.30228488  3.11427750
   0.92700402  0.16478411  1.51343134
   1.88235426  0.46729267  1.19169754
   1.84200269  2.30671257 -0.10713181
  -3.80109070  0.02854323  0.05813489
   0.31914082  0.14889400  0.72371797
   0.14912009  1.12672654 -0.37229048
  -0.17613690  1.20497323 -0.04257151
  -1.36516400  0.04019957 -0.66970280
   3.39489507  2.23066173 -1.51193626
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.951715   -3.178015    1.183900
    -0.000000   19.630643    4.474449
    -0.000000    0.000000   15.700876
   Si   O    H 
    32    64    10
Direct configuration=  3928
   0.14111245  0.15249530  0.00457128
   0.32468920  0.11876847  0.41686049
   0.16860593  0.44041797  0.07996348
   0.85538499 -0.11211752  0.49434926
   0.14442832 -0.27037622  0.13134800
   0.30604704  0.06808613  0.84044915
   0.19908952  0.38275784  0.59671280
   0.34794950  0.39414230  0.75937686
   0.13539684  0.71003492 -0.02885351
   0.41381723  0.60966284  0.38047739
   0.16035313  0.98719259  0.12337957
   0.37926773  0.89985869  0.27244395
   0.12312787  0.64520674  0.48735657
   0.39434876  0.76263120  0.84989557
   0.09475901  0.93239817  0.60312510
   0.33899213  0.92136918  0.70422618
   0.48882164  0.02457202  0.98077051
   0.82911012  0.21938876  0.32187867
   0.63130875  0.41342119  0.05718220
   0.90558741  0.40689161  0.20199755
   0.58532554  0.23863974  0.44779750
   0.88329640  0.16602258  0.86650305
   0.60332432  0.42266822  0.62228257
   0.82750452  0.42214890  0.79354980
   0.55877678  0.66067976 -0.00490986
   0.90815213  0.59533293  0.37057194
   0.57202946  0.89838226  0.10707166
   0.74774508  0.84075153  0.26852341
   0.64836958  0.64190400  0.51208078
   0.89594103  0.66659774  0.91402456
   0.65325476  0.94726148  0.61684125
   0.88624110  0.89030783  0.77578950
   0.11909040  0.07052421  0.06716890
   0.35106412  0.17730659  0.30776614
   0.16551723  0.27778175  0.02330457
   0.41675703  0.55502793  0.33593597
   0.54071043  0.35158932  0.14285753
   0.28620022  0.43987332  0.13095897
   0.20513036  0.08793146  0.47668369
  -0.10664628  0.17190241  0.39855460
   0.03101349 -0.02978279  0.52620131
   0.35448903  0.29704061  0.81874200
   0.06965395  0.34151797  0.59264609
   0.32092014  0.51192392  0.78910872
   0.46994625  0.39761059  0.68834341
   0.21678938  0.38677262  0.70289078
   0.25001371  0.11491935 -0.08597867
   0.00293755  0.13639176  0.92927729
   0.15331500  0.65808173  0.04930542
   0.34010755  0.81359229  0.29691919
   0.08054376  0.79213977  0.10091172
   0.36148328  0.94863715  0.33168321
   0.46590937  0.92918484  0.16726557
   0.18933856  0.92816157  0.18354655
   0.27789968  0.63116871  0.42110730
   0.01825169  0.62646496  0.41605309
   0.31953993  0.39068000  0.53886128
   0.36680902  0.81749167  0.76686206
   0.07749902  0.70925488  0.48952876
   0.33068264  1.01954431  0.76717535
   0.48927324  0.94081262  0.64861680
   0.23662143  0.93774359  0.61570736
   0.24841658  0.76311458 -0.09200070
  -0.02802614  0.70626393  1.01055134
   0.61192820  0.00026610  0.05128577
   0.87078556  0.26935975  0.23978781
   0.67022923  0.37681745 -0.03202653
   0.89471625  0.54613832  0.31382916
   0.01772316  0.43696629  0.11737436
   0.74906899  0.44639818  0.10214638
   0.71702526  0.24898103  0.35850953
   0.46450006  0.14268331  0.45341581
   0.70179148  0.09212694  0.54020924
   0.94283176  0.25339945  0.82087211
   0.57835970  0.36130799  0.56862541
   0.87998495  0.59258593  0.89826345
   1.13325350  0.56445213  0.55508196
   0.72325443  0.44374224  0.66399113
   0.74286885  0.10678192  0.90038522
   0.45655591  0.08107737  0.88061311
   0.51745284  0.57934356  0.01711934
   0.81014000  0.78016674  0.29436481
   0.57170095  0.83119505  0.06037944
   0.76239170  0.97976188  0.34431733
   0.89210470  0.93487946  0.05315875
   0.68642453  0.87953911  0.18739748
   0.79370789  0.62113843  0.41117373
   0.54851106  0.65902242  0.41253223
   0.61335836  0.56134294  0.55082854
   0.90084727  0.80509034  0.81833932
   0.74981976  0.79987859  0.49061214
   0.92159875  0.96696273  0.80187132
   0.99192452  0.88702445  0.68741513
   0.76677345  0.93434735  0.70777618
   0.71686599  0.68968051  0.95008461
   0.46988824  0.70626621  0.89834169
   3.02521543  0.32261532  3.17786112
   0.96401511  0.11059952  1.66763795
   1.78924685  0.59775332  1.27645324
   1.83071657  2.42173140 -0.13536902
  -3.85530110  0.04575422 -0.01734264
   0.32872130  0.12010499  0.78543540
   0.16336525  1.08132146 -0.48561361
  -0.16868914  1.06251167 -0.00025960
  -1.49606608  0.04966683 -0.74058363
   3.41349673  2.24101309 -1.50129676
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.956228   -3.244975    1.203106
    -0.000000   19.796606    4.550550
    -0.000000    0.000000   15.725638
   Si   O    H 
    32    64    10
Direct configuration=  3929
   0.14427845  0.15461616  0.00265850
   0.32545359  0.11862757  0.41569247
   0.17134045  0.44033135  0.07888676
   0.85342952 -0.11478064  0.49593920
   0.14595749 -0.26932889  0.13135171
   0.30175434  0.06981645  0.83842041
   0.19917105  0.38297875  0.59825607
   0.34837602  0.39408648  0.75903364
   0.13477135  0.70926156 -0.02864836
   0.41345646  0.61040543  0.38124939
   0.16377705  0.98728356  0.12698182
   0.38008641  0.90047069  0.27030254
   0.12452254  0.64504893  0.48836442
   0.39539179  0.76290244  0.85123540
   0.09503308  0.93307207  0.60363270
   0.33884641  0.92172956  0.70443042
   0.48522208  0.02336285  0.98157267
   0.83001718  0.21882680  0.32068178
   0.63151884  0.41123624  0.05690370
   0.90559989  0.40707419  0.20046163
   0.58864896  0.24013065  0.44427365
   0.88266948  0.16835526  0.86740611
   0.60184527  0.42284002  0.62323050
   0.82866041  0.42321036  0.79124297
   0.55955381  0.66053714 -0.00642091
   0.90521943  0.59514298  0.36992446
   0.57270439  0.89770677  0.10738248
   0.74870577  0.84122130  0.26771243
   0.64705586  0.64168725  0.51489504
   0.89619203  0.66653445  0.91318211
   0.65197382  0.94768885  0.61736972
   0.88742601  0.88964058  0.77548167
   0.12274098  0.06691803  0.06600465
   0.35154705  0.17678844  0.30782154
   0.16104103  0.27719332  0.02960357
   0.41566824  0.55492009  0.33614067
   0.54117585  0.35257423  0.13997536
   0.28497578  0.44008988  0.13068737
   0.21172255  0.08905081  0.47494169
  -0.10875094  0.16826920  0.39850702
   0.03078778 -0.03227570  0.52573813
   0.35232444  0.29999658  0.81847787
   0.07010644  0.34159059  0.59211384
   0.32214137  0.50968446  0.78778293
   0.46721486  0.39761916  0.68961642
   0.21953437  0.38812705  0.70140811
   0.24896659  0.11330490 -0.08273493
   0.00310981  0.13040780  0.92822943
   0.15335000  0.65801622  0.05009065
   0.33851274  0.81334489  0.29956057
   0.07975417  0.79021932  0.10046601
   0.36150555  0.94911890  0.33099688
   0.46362438  0.92865059  0.16865207
   0.18690860  0.92775264  0.17823025
   0.27929584  0.63093853  0.41916666
   0.01869137  0.62753273  0.41663474
   0.31776822  0.38974146  0.53844391
   0.36672845  0.81752182  0.76886135
   0.07975897  0.70728420  0.48805809
   0.33125617  1.01958768  0.76763477
   0.49104797  0.94222426  0.64778376
   0.23588204  0.93734923  0.61707707
   0.24934510  0.76368366 -0.09077974
  -0.03047874  0.70681121  1.00834570
   0.61281129 -0.00135783  0.05030487
   0.86515336  0.26480726  0.23833799
   0.67220698  0.38191834 -0.03145972
   0.89305975  0.54650736  0.31638354
   0.01984867  0.43590865  0.11464493
   0.75020756  0.44843192  0.09999204
   0.71671021  0.25160391  0.35412413
   0.46159171  0.14271691  0.45224476
   0.70120296  0.09279280  0.53923010
   0.94364280  0.25288209  0.81882115
   0.57963831  0.36118546  0.56502442
   0.88220900  0.59609658  0.89873021
   1.13356398  0.56579699  0.55459939
   0.72252047  0.44347352  0.66331503
   0.74344097  0.10744174  0.89955496
   0.45476038  0.08316771  0.87708366
   0.51607967  0.58042702  0.01667914
   0.80715658  0.78150854  0.29378764
   0.57229722  0.83445851  0.06015107
   0.76302707  0.97720193  0.34361552
   0.89060064  0.93385002  0.05402856
   0.68508383  0.87924720  0.19003961
   0.79577092  0.62192445  0.40923402
   0.54783406  0.65898512  0.41287036
   0.61266443  0.56161077  0.54862184
   0.89760771  0.80484490  0.82153411
   0.75406064  0.80223251  0.48935187
   0.92309615  0.96671817  0.80163256
   0.99264460  0.88833735  0.68768307
   0.76493923  0.93374560  0.70617975
   0.71843360  0.69051877  0.95112650
   0.46834804  0.70713999  0.89719323
   3.11724722  0.33169929  3.23881616
   0.97184488  0.05397109  1.81773840
   1.75646295  0.69520650  1.36376755
   1.77389709  2.50031767 -0.11738492
  -3.92945893  0.06686680 -0.11218516
   0.38231216  0.00017589  0.90939895
   0.05989369  1.02899727 -0.50476638
  -0.15085224  0.91706094  0.06653514
  -1.63561724  0.06354763 -0.80116190
   3.41947610  2.25118129 -1.47531126
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.958755   -3.311041    1.222010
    -0.000000   19.958779    4.625068
    -0.000000    0.000000   15.749030
   Si   O    H 
    32    64    10
Direct configuration=  3930
   0.14763057  0.15771194  0.00125404
   0.32639977  0.11856923  0.41365846
   0.17498761  0.44030772  0.07773592
   0.85068578 -0.11818973  0.49767093
   0.14772350 -0.26803508  0.13101452
   0.29964703  0.07084491  0.83811431
   0.19987210  0.38295596  0.59992209
   0.34964123  0.39422555  0.75810535
   0.13348442  0.70842995 -0.02802967
   0.41265173  0.61104661  0.38217532
   0.16698172  0.98743064  0.13022342
   0.38115915  0.90084092  0.26798871
   0.12627715  0.64430319  0.48967372
   0.39579660  0.76304493  0.85246194
   0.09555134  0.93308178  0.60496354
   0.33884368  0.92225204  0.70482457
   0.48036146  0.02182472  0.98145648
   0.83159815  0.21804032  0.32002012
   0.63204282  0.40871022  0.05676212
   0.90640486  0.40840090  0.19890906
   0.59048212  0.24179568  0.44189444
   0.88213890  0.17041347  0.86789848
   0.59975286  0.42282684  0.62367264
   0.82912011  0.42425068  0.78930377
   0.56000188  0.66063794 -0.00836609
   0.90253716  0.59536835  0.37002169
   0.57296005  0.89705411  0.10714122
   0.75013365  0.84159644  0.26784501
   0.64562192  0.64156923  0.51852249
   0.89662587  0.66698487  0.91254263
   0.65054944  0.94786836  0.61829533
   0.88855722  0.88892034  0.77500522
   0.12545610  0.06337225  0.06568765
   0.35143877  0.17599349  0.30776421
   0.15667781  0.27659339  0.03583210
   0.41471269  0.55456733  0.33676980
   0.54240367  0.35367934  0.13648132
   0.28147132  0.43942130  0.13058156
   0.21601492  0.08849074  0.47544872
  -0.11156390  0.16495574  0.39780958
   0.03255676 -0.03408688  0.52458114
   0.35012788  0.30310826  0.81792470
   0.07212579  0.34185885  0.59121473
   0.32401010  0.50777522  0.78698595
   0.46429044  0.39781487  0.69012311
   0.22162486  0.38961063  0.69958460
   0.24831415  0.11079934 -0.08219131
   0.00434741  0.12484359  0.92740040
   0.15319689  0.65764669  0.05176903
   0.33573802  0.81276361  0.30272528
   0.07915783  0.78814395  0.09965238
   0.36140242  0.94979857  0.33014260
   0.46200152  0.92817571  0.16989511
   0.18422699  0.92709082  0.17303269
   0.28214480  0.63123566  0.41678192
   0.01776074  0.62822614  0.41637397
   0.31533071  0.38890428  0.53821082
   0.36625299  0.81739758  0.77134590
   0.08206955  0.70554813  0.48654558
   0.33262718  1.01920425  0.76999380
   0.49325338  0.94422967  0.64703567
   0.23545099  0.93642098  0.61988541
   0.25202135  0.76430274 -0.09039255
  -0.03185112  0.70723511  1.00523947
   0.60960738 -0.00293818  0.04912669
   0.86051836  0.26005800  0.23665535
   0.67518700  0.38778974 -0.02992116
   0.89039287  0.54684740  0.31913599
   0.02231663  0.43450510  0.11297340
   0.74952379  0.45025584  0.09705326
   0.71654103  0.25434980  0.35002279
   0.45853358  0.14248240  0.45123008
   0.70079295  0.09331991  0.53829148
   0.94400473  0.25158090  0.81758248
   0.58106966  0.36118574  0.56141162
   0.88420293  0.60018294  0.89885155
   1.13392068  0.56709686  0.55365830
   0.72186620  0.44339017  0.66283212
   0.74637567  0.10910495  0.89858368
   0.45180436  0.08589158  0.87296625
   0.51423935  0.58107749  0.01563041
   0.80330627  0.78121705  0.29422875
   0.57281506  0.83765088  0.06029673
   0.76449686  0.97495475  0.34143918
   0.89230853  0.93412318  0.05398389
   0.68386264  0.87923869  0.19212111
   0.79817398  0.62092225  0.40723202
   0.54617997  0.65855209  0.41251795
   0.61289829  0.56192475  0.54546261
   0.89362228  0.80438312  0.82541328
   0.75973440  0.80556131  0.48757712
   0.92507380  0.96673723  0.80244142
   0.99468031  0.89009681  0.68705378
   0.76280357  0.93357313  0.70342885
   0.71941557  0.69171945  0.95195327
   0.46728970  0.70815587  0.89649590
   3.20637576  0.33831040  3.27888843
   0.98097970 -0.00392795  1.95420250
   1.75242566  0.80693668  1.44768496
   1.72411280  2.55649019 -0.10362389
  -4.01031367  0.08611179 -0.20812761
   0.39766797 -0.11900168  1.04085117
  -0.10692339  0.98223395 -0.52932449
  -0.18246187  0.76363013  0.15168137
  -1.77073585  0.07107880 -0.85763825
   3.47358541  2.26585570 -1.45486036
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.959837   -3.375709    1.240803
    -0.000000   20.117596    4.697510
    -0.000000    0.000000   15.771902
   Si   O    H 
    32    64    10
Direct configuration=  3931
   0.15063521  0.16193488 -0.00037957
   0.32909264  0.11908681  0.41132178
   0.17895338  0.44040923  0.07595171
   0.84742591 -0.12068640  0.49904269
   0.14971128 -0.26638279  0.13081760
   0.29770867  0.07158301  0.83798741
   0.20077399  0.38311851  0.60206960
   0.35046982  0.39399784  0.75727727
   0.13126509  0.70725307 -0.02714793
   0.41149147  0.61191621  0.38336022
   0.17201132  0.98859700  0.13448872
   0.38148286  0.90078630  0.26591714
   0.12812912  0.64315380  0.49053819
   0.39576400  0.76343332  0.85396394
   0.09651326  0.93344750  0.60692956
   0.33883153  0.92266637  0.70553442
   0.47646770  0.02145117  0.98077529
   0.83336710  0.21715996  0.32030785
   0.63255518  0.40624886  0.05698935
   0.90749832  0.40996297  0.19813183
   0.59246464  0.24374634  0.43989789
   0.88075552  0.17241650  0.86858178
   0.59777563  0.42249466  0.62406821
   0.82974349  0.42541543  0.78712820
   0.56087888  0.66103615 -0.01078678
   0.90068342  0.59593971  0.37070273
   0.57252751  0.89661258  0.10650692
   0.75169961  0.84228559  0.26780865
   0.64473569  0.64204072  0.52224675
   0.89679415  0.66799490  0.91259542
   0.64814854  0.94778428  0.62046304
   0.88991685  0.88824849  0.77461371
   0.12499150  0.06176554  0.06374307
   0.35066451  0.17537268  0.30887907
   0.15163501  0.27533518  0.04112635
   0.41351122  0.55409487  0.33757638
   0.54399701  0.35547309  0.13232209
   0.27626349  0.43812779  0.13164034
   0.21829916  0.08697569  0.47756111
  -0.11505436  0.16234929  0.39656636
   0.03329575 -0.03609973  0.52331576
   0.34745578  0.30587835  0.81756731
   0.07560226  0.34268363  0.59037631
   0.32680926  0.50626896  0.78569629
   0.46232640  0.39846483  0.68971033
   0.22281642  0.39063015  0.69736537
   0.24899513  0.10825548 -0.08361644
   0.00597727  0.11920866  0.92639062
   0.15319121  0.65639056  0.05351795
   0.33314357  0.81292497  0.30572635
   0.07668866  0.78636455  0.09904636
   0.36192799  0.95029954  0.33000011
   0.45985403  0.92768080  0.17057010
   0.18241124  0.92609926  0.16794010
   0.28393464  0.63136579  0.41414953
   0.01704689  0.62870419  0.41561122
   0.31239247  0.38806172  0.53837206
   0.36628022  0.81732187  0.77443259
   0.08383966  0.70413367  0.48509796
   0.33422511  1.01868215  0.77258356
   0.49539313  0.94605701  0.64612536
   0.23559900  0.93541847  0.62383186
   0.25543259  0.76516104 -0.09034926
  -0.03175478  0.70792320  1.00190675
   0.60748181 -0.00455430  0.04756349
   0.85659496  0.25495038  0.23448303
   0.67756352  0.39252549 -0.02711847
   0.88872324  0.54708397  0.32168423
   0.02392193  0.43308372  0.11179456
   0.74798283  0.45165514  0.09369134
   0.71643514  0.25665506  0.34529314
   0.45389777  0.14150183  0.45008000
   0.69996352  0.09410988  0.53770642
   0.94400298  0.24991002  0.81657081
   0.58282163  0.36180316  0.55861809
   0.88275665  0.60303614  0.89837334
   1.13425109  0.56810509  0.55345335
   0.72228796  0.44314301  0.66286668
   0.74891499  0.11027333  0.89754229
   0.45026699  0.08718512  0.87052206
   0.51174805  0.58151693  0.01492470
   0.80094705  0.78103147  0.29488859
   0.57481094  0.84088539  0.05989255
   0.76398885  0.97158056  0.33834186
   0.89362456  0.93413287  0.05372999
   0.68233054  0.87915868  0.19463586
   0.80042698  0.61981039  0.40518085
   0.54295875  0.65707084  0.41121174
   0.61317823  0.56276344  0.54188355
   0.89038543  0.80412199  0.82899455
   0.76591138  0.80802804  0.49027569
   0.92663697  0.96577351  0.80513570
   0.99699437  0.89172547  0.68606281
   0.76099613  0.93279152  0.70120518
   0.71973433  0.69321861  0.95264860
   0.46661251  0.70968364  0.89557598
   3.28676436  0.34713193  3.31811362
   1.02062807 -0.04938718  2.07208377
   1.69825153  0.88695656  1.47509211
   1.72933543  2.61958366 -0.10673003
  -4.08249780  0.10207211 -0.31781887
   0.39401078 -0.24104076  1.17419223
  -0.21934352  0.94748209 -0.54919160
  -0.19304712  0.64035609  0.20500799
  -1.93137074 -0.00014264 -0.90458478
   3.51229668  2.27244559 -1.44247441
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.958844   -3.437406    1.258660
    -0.000000   20.269654    4.766939
    -0.000000    0.000000   15.792885
   Si   O    H 
    32    64    10
Direct configuration=  3932
   0.15313466  0.16553907 -0.00203567
   0.33249401  0.11975494  0.40871980
   0.18209948  0.44064879  0.07371667
   0.84432525 -0.12280766  0.50055929
   0.15144112 -0.26497423  0.13044969
   0.29711263  0.07233614  0.83753481
   0.20148926  0.38331958  0.60406308
   0.35067460  0.39338829  0.75717247
   0.12853479  0.70634633 -0.02632494
   0.41112160  0.61279270  0.38423496
   0.17673758  0.99104308  0.13785294
   0.38149380  0.90042779  0.26462666
   0.13043844  0.64193184  0.49103656
   0.39575485  0.76346647  0.85527739
   0.09757005  0.93405772  0.60831170
   0.33904994  0.92310190  0.70621626
   0.47353862  0.02127273  0.98005362
   0.83432921  0.21565036  0.32232331
   0.63373185  0.40444699  0.05733392
   0.90886295  0.41142625  0.19689551
   0.59373108  0.24540613  0.43806492
   0.88017065  0.17391026  0.86948215
   0.59559105  0.42205347  0.62438586
   0.83022497  0.42654706  0.78515266
   0.56183971  0.66159676 -0.01327304
   0.89890133  0.59647901  0.37165929
   0.57243102  0.89658941  0.10575441
   0.75256735  0.84268202  0.26818463
   0.64377670  0.64273105  0.52572304
   0.89734528  0.66974073  0.91277297
   0.64582603  0.94806560  0.62248422
   0.89059330  0.88756296  0.77450183
   0.12472589  0.06058128  0.06244477
   0.35008212  0.17479407  0.31007950
   0.14726123  0.27400695  0.04610656
   0.41221228  0.55391395  0.33855992
   0.54343088  0.35628060  0.12935730
   0.27199822  0.43676351  0.13302830
   0.21789784  0.08522328  0.48032901
  -0.11805788  0.16054123  0.39525866
   0.03370793 -0.03813495  0.52223174
   0.34461934  0.30861642  0.81809390
   0.07796222  0.34291628  0.58956720
   0.32947568  0.50480273  0.78387032
   0.46157350  0.39902590  0.68876803
   0.22448304  0.39229469  0.69581872
   0.24885523  0.10564468 -0.08551957
   0.00776569  0.11424876  0.92519670
   0.15338426  0.65526903  0.05566940
   0.33050432  0.81353049  0.30812143
   0.07433201  0.78451691  0.09930207
   0.36243245  0.95052464  0.32929291
   0.45844788  0.92712442  0.17095680
   0.18201540  0.92341698  0.16435893
   0.28616080  0.63197676  0.41191653
   0.01734192  0.62880188  0.41500307
   0.31027653  0.38718877  0.53806249
   0.36609684  0.81740167  0.77700454
   0.08478483  0.70355218  0.48390858
   0.33533933  1.01808922  0.77546111
   0.49814976  0.94852357  0.64489978
   0.23527527  0.93473251  0.62741182
   0.25769111  0.76603583 -0.09005411
  -0.03144628  0.70914852  0.99786968
   0.60630191 -0.00616970  0.04624497
   0.85451611  0.25167209  0.22960576
   0.67975719  0.39606467 -0.02536656
   0.88700655  0.54629753  0.32276217
   0.02528957  0.43142053  0.11071043
   0.74655943  0.45331091  0.09109811
   0.71649413  0.25885528  0.34185894
   0.45122378  0.14087952  0.44868785
   0.69837061  0.09465286  0.53697436
   0.94437978  0.24886931  0.81542370
   0.58418827  0.36249408  0.55592289
   0.88151097  0.60405137  0.89739156
   1.13445664  0.56945748  0.55287663
   0.72227654  0.44269082  0.66324426
   0.75151899  0.11120743  0.89636062
   0.44891692  0.08874673  0.86848094
   0.50949418  0.58135130  0.01407869
   0.79913634  0.78055407  0.29533542
   0.57706805  0.84382308  0.05937835
   0.76383673  0.96853690  0.33583913
   0.89471060  0.93398536  0.05366066
   0.68131142  0.87897098  0.19719488
   0.80159553  0.61944231  0.40393663
   0.53982393  0.65550975  0.41007828
   0.61338335  0.56360276  0.53942869
   0.88800644  0.80408668  0.83212428
   0.77155436  0.81010063  0.49266496
   0.92805846  0.96435943  0.80745725
   0.99836617  0.89279685  0.68601105
   0.75884033  0.93205597  0.69908391
   0.71971561  0.69475214  0.95282466
   0.46620103  0.71101559  0.89433690
   3.36076405  0.35571168  3.35532479
   1.04927331 -0.09198098  2.17978975
   1.65487583  0.96039471  1.49886998
   1.73520746  2.67692951 -0.10533879
  -4.14738755  0.11346691 -0.41496268
   0.38725316 -0.35029314  1.29525378
  -0.32055532  0.91250162 -0.56848040
  -0.20209485  0.52927053  0.25391668
  -2.08847195 -0.06471844 -0.95079368
   3.55490340  2.28072407 -1.43316940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.956754   -3.497568    1.275817
    -0.000000   20.418423    4.834745
    -0.000000    0.000000   15.813143
   Si   O    H 
    32    64    10
Direct configuration=  3933
   0.15538376  0.16949949 -0.00405713
   0.33687837  0.12065884  0.40572514
   0.18469213  0.44080334  0.07143207
   0.84084631 -0.12490504  0.50225622
   0.15336527 -0.26384297  0.13057065
   0.29694439  0.07305353  0.83710009
   0.20194974  0.38341899  0.60617472
   0.35061299  0.39296178  0.75736788
   0.12640580  0.70602249 -0.02562495
   0.41153278  0.61255519  0.38684193
   0.17902283  0.99478932  0.13911864
   0.38112018  0.89979330  0.26456421
   0.13231240  0.64097578  0.49135939
   0.39513352  0.76362925  0.85670993
   0.09828434  0.93507804  0.60939231
   0.33932019  0.92356985  0.70655568
   0.47118956  0.02123005  0.97892790
   0.83516550  0.21404594  0.32493332
   0.63556230  0.40312505  0.05830395
   0.91099486  0.41326650  0.19567247
   0.59505481  0.24658449  0.43634831
   0.87933172  0.17512689  0.87048462
   0.59345408  0.42145506  0.62455897
   0.83099543  0.42772370  0.78259259
   0.56202156  0.66252207 -0.01570368
   0.89824165  0.59635017  0.37157594
   0.57247902  0.89697441  0.10544276
   0.75394716  0.84384496  0.26894859
   0.64388903  0.64371265  0.52851955
   0.89742057  0.67156180  0.91326185
   0.64387683  0.94866441  0.62359914
   0.89178775  0.88697048  0.77447678
   0.12425072  0.05860845  0.06101244
   0.35004370  0.17432429  0.31190697
   0.14304909  0.27339054  0.05143150
   0.41125724  0.55358161  0.33667102
   0.54157435  0.35644797  0.12753574
   0.26969319  0.43499878  0.13417021
   0.21692807  0.08335677  0.48253785
  -0.12001959  0.15894779  0.39489803
   0.03586897 -0.03973981  0.52103070
   0.34078383  0.31094226  0.81930564
   0.08005343  0.34355595  0.58828489
   0.33248490  0.50345091  0.78188015
   0.46132185  0.39969329  0.68729896
   0.22597820  0.39389797  0.69504514
   0.24977055  0.10209740 -0.08764849
   0.00899240  0.10941813  0.92435010
   0.15334509  0.65455339  0.05704921
   0.32815943  0.81536746  0.31033484
   0.07081063  0.78273342  0.09907206
   0.36277479  0.95037722  0.32851956
   0.45827153  0.92684092  0.17130287
   0.18145264  0.91914837  0.16160954
   0.28746289  0.63285177  0.41089603
   0.01627321  0.62839737  0.41442717
   0.30943719  0.38693449  0.53542771
   0.36614516  0.81783396  0.77885361
   0.08544906  0.70370522  0.48268232
   0.33735337  1.01714854  0.77778096
   0.49979394  0.95076230  0.64501635
   0.23570272  0.93417147  0.63072560
   0.25894310  0.76652593 -0.08870058
  -0.03215310  0.71016580  0.99334550
   0.60541898 -0.00833713  0.04471397
   0.85149478  0.24823003  0.22430141
   0.68222249  0.39933566 -0.02436687
   0.88540139  0.54593569  0.32397787
   0.02572040  0.42987932  0.10953109
   0.74434504  0.45552716  0.08845509
   0.71669338  0.26092291  0.33881149
   0.44916433  0.14024244  0.44720426
   0.69485140  0.09457297  0.53673182
   0.94610260  0.24774577  0.81412381
   0.58624372  0.36475763  0.55290706
   0.87947769  0.60442452  0.89619584
   1.13462422  0.57013214  0.55296417
   0.72256806  0.44241714  0.66437916
   0.75452411  0.11176755  0.89542017
   0.44764398  0.08974569  0.86643733
   0.50781149  0.58116587  0.01320452
   0.79803802  0.78028252  0.29506778
   0.58037152  0.84658121  0.05799250
   0.76503788  0.96522384  0.33234813
   0.89206321  0.93415369  0.05315140
   0.68095780  0.87841726  0.19820850
   0.79947889  0.61958404  0.40307090
   0.53687683  0.65464162  0.40761876
   0.61302820  0.56411362  0.53719037
   0.88433647  0.80202955  0.83556930
   0.77717042  0.81298413  0.49353779
   0.92888503  0.96306886  0.80960104
   0.99975366  0.89397302  0.68591549
   0.75609862  0.93118536  0.69549093
   0.71886877  0.69582961  0.95118753
   0.46695385  0.71204115  0.89482129
   3.43705938  0.35896052  3.39713032
   1.13735122 -0.14342709  2.29851668
   1.63522171  1.03474430  1.58639956
   1.79206787  2.75562285 -0.08364323
  -4.19762686  0.11537961 -0.51023014
   0.43421996 -0.43743395  1.37037374
  -0.43063058  0.85884905 -0.60158149
  -0.19169920  0.44222847  0.31465446
  -2.23564558 -0.11166832 -1.00274855
   3.58182147  2.26697525 -1.43239179
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.953610   -3.557060    1.293267
    -0.000000   20.563628    4.901300
    -0.000000    0.000000   15.832180
   Si   O    H 
    32    64    10
Direct configuration=  3934
   0.15827840  0.17354944 -0.00586555
   0.34149971  0.12188320  0.40296840
   0.18674171  0.44090344  0.06873994
   0.83869345 -0.12700487  0.50367772
   0.15565068 -0.26280391  0.13029084
   0.29754790  0.07368999  0.83663932
   0.20292982  0.38350055  0.60833002
   0.34984638  0.39254414  0.75716593
   0.12491811  0.70595612 -0.02467790
   0.40958567  0.61488524  0.39035873
   0.18094361  0.99858507  0.14019426
   0.37960535  0.89883781  0.26470758
   0.13384351  0.64003224  0.49194901
   0.39401064  0.76404622  0.85825321
   0.09933202  0.93610691  0.60949822
   0.33942563  0.92376617  0.70721767
   0.46965154  0.02152398  0.97726025
   0.83569126  0.21210248  0.32818448
   0.63739268  0.40171216  0.05967454
   0.91354851  0.41628451  0.19600225
   0.59652908  0.24739105  0.43511452
   0.87828152  0.17595478  0.87163524
   0.59143714  0.42053804  0.62441480
   0.83122210  0.42890953  0.77979965
   0.56241454  0.66320882 -0.01848356
   0.89916558  0.59659075  0.37183410
   0.57241108  0.89776011  0.10569023
   0.75548204  0.84512147  0.26917619
   0.64410572  0.64495140  0.52936110
   0.89747839  0.67276274  0.91416416
   0.64409832  0.95037849  0.62583834
   0.89232022  0.88650889  0.77489610
   0.12301013  0.05559184  0.05945454
   0.34966737  0.17379442  0.31403510
   0.13825945  0.27289345  0.05682559
   0.40611380  0.55499935  0.33165047
   0.53886736  0.35608095  0.12643355
   0.26913235  0.43311777  0.13612802
   0.21451185  0.08109954  0.48456685
  -0.12204360  0.15676658  0.39468476
   0.03841786 -0.04151393  0.52012927
   0.33599850  0.31331141  0.82111503
   0.08243785  0.34448849  0.58676115
   0.33620763  0.50216614  0.77981862
   0.46085923  0.40029514  0.68553803
   0.22806657  0.39517409  0.69456865
   0.25012630  0.09840001 -0.08956989
   0.01070247  0.10604515  0.92316161
   0.15207171  0.65335109  0.05827394
   0.32708551  0.81705576  0.31219821
   0.06725317  0.78061502  0.09791373
   0.36239101  0.94981018  0.32781985
   0.45862208  0.92658368  0.17110278
   0.18218446  0.91502972  0.15857739
   0.29163301  0.63260364  0.40794030
   0.01559171  0.62803892  0.41393633
   0.31026720  0.38741164  0.53282795
   0.36669180  0.81893355  0.78002373
   0.08661127  0.70383495  0.48178098
   0.33895232  1.01632170  0.77999299
   0.49803000  0.95247143  0.64374557
   0.23657806  0.93370708  0.63390057
   0.25876228  0.76628840 -0.08663287
  -0.03421898  0.71083662  0.98853047
   0.60466981 -0.01117882  0.04289937
   0.84927779  0.24509791  0.21860155
   0.68452041  0.40254278 -0.02365040
   0.88342462  0.54407716  0.32441810
   0.02366375  0.42797950  0.10846066
   0.74047754  0.45828320  0.08505139
   0.71503334  0.26158303  0.33799613
   0.44919446  0.13963534  0.44629509
   0.69211093  0.09444016  0.53638922
   0.94901098  0.24731261  0.81295472
   0.58771907  0.36719115  0.55027690
   0.87716134  0.60445606  0.89504921
   1.13574663  0.57088870  0.55196592
   0.72275446  0.44227663  0.66577442
   0.75644959  0.11220493  0.89455360
   0.44611536  0.09016175  0.86581523
   0.50638068  0.58105382  0.01252165
   0.79756203  0.78045839  0.29460846
   0.58302341  0.84901108  0.05711267
   0.76744100  0.96295139  0.32890170
   0.88884825  0.93404609  0.05282201
   0.67948852  0.87795516  0.19861436
   0.79420210  0.61974687  0.40310385
   0.53372992  0.65422029  0.40785434
   0.61172676  0.56368261  0.53557934
   0.88238468  0.79957572  0.83710964
   0.78109223  0.81624620  0.49381208
   0.92917460  0.96219564  0.81141408
   0.99934066  0.89460212  0.68762093
   0.75204056  0.93075710  0.68912316
   0.71941432  0.69761819  0.94832885
   0.46802725  0.71329265  0.89565991
   3.50593104  0.34992039  3.43161641
   1.21686594 -0.19759089  2.41915894
   1.58732237  1.06481482  1.68566432
   1.82381574  2.85510136 -0.01668856
  -4.22296501  0.12499135 -0.59554834
   0.54210875 -0.60180628  1.49426634
  -0.53876236  0.79799418 -0.62685800
  -0.13117126  0.36696837  0.32842343
  -2.33731834 -0.14726357 -1.06402137
   3.60674660  2.26447221 -1.45329573
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.948599   -3.614912    1.310630
    -0.000000   20.701566    4.966297
    -0.000000    0.000000   15.850341
   Si   O    H 
    32    64    10
Direct configuration=  3935
   0.16091649  0.17710399 -0.00792848
   0.34552378  0.12282022  0.39995412
   0.18810071  0.44108743  0.06573993
   0.83883000 -0.12666870  0.50504052
   0.15760581 -0.26216784  0.12972352
   0.29897384  0.07431738  0.83576556
   0.20417566  0.38378071  0.60997211
   0.34820651  0.39209335  0.75735130
   0.12288527  0.70598320 -0.02349391
   0.40816417  0.61625855  0.39335006
   0.18255230  1.00184973  0.14092710
   0.37764991  0.89804642  0.26554137
   0.13533461  0.63935423  0.49229603
   0.39353380  0.76432656  0.85912003
   0.10049060  0.93715157  0.60880848
   0.33997258  0.92410106  0.70767517
   0.46898386  0.02182213  0.97568446
   0.83533897  0.21056244  0.33076014
   0.63942586  0.40117463  0.06136036
   0.91595681  0.41898600  0.19653643
   0.59801417  0.24811551  0.43383854
   0.87691214  0.17639918  0.87279539
   0.59018131  0.41998737  0.62395473
   0.83123943  0.42998978  0.77711240
   0.56282196  0.66391662 -0.02117101
   0.90021836  0.59656072  0.37231613
   0.57226647  0.89891449  0.10627604
   0.75710745  0.84650471  0.26956312
   0.64404290  0.64555867  0.53037310
   0.89693973  0.67371496  0.91509122
   0.64492360  0.95188177  0.62770920
   0.89327000  0.88620120  0.77540678
   0.12118063  0.05280374  0.05813479
   0.34935853  0.17320653  0.31582209
   0.13348624  0.27164449  0.06178191
   0.40192675  0.55665732  0.32708347
   0.53368205  0.35434832  0.12699810
   0.26892639  0.43109592  0.13872324
   0.21231352  0.07935677  0.48681081
  -0.12498774  0.15429904  0.39488081
   0.04044886 -0.04345945  0.51927082
   0.33111005  0.31562578  0.82291147
   0.08359860  0.34463844  0.58553034
   0.34045764  0.50117889  0.77783710
   0.46150686  0.40089894  0.68325914
   0.22997038  0.39660693  0.69520792
   0.24991530  0.09586469 -0.09098064
   0.01179854  0.10319806  0.92243579
   0.15056777  0.65187591  0.06002187
   0.32673464  0.81835992  0.31401817
   0.06478552  0.77903297  0.09665094
   0.36184354  0.94912724  0.32664397
   0.45976432  0.92659567  0.17009242
   0.18241571  0.91123856  0.15590851
   0.29492374  0.63251167  0.40589449
   0.01513883  0.62764391  0.41352836
   0.31062638  0.38767693  0.53031879
   0.36737010  0.82029761  0.78105237
   0.08763403  0.70441300  0.48082100
   0.33965930  1.01525384  0.78197367
   0.49657016  0.95404845  0.64243311
   0.23765817  0.93319254  0.63620401
   0.25753345  0.76609090 -0.08428937
  -0.03527965  0.71157405  0.98378480
   0.60462585 -0.01381628  0.04069484
   0.84819023  0.24254855  0.21365166
   0.68813776  0.40514868 -0.02603371
   0.88166086  0.54210287  0.32475675
   0.02183393  0.42649486  0.10743553
   0.73698573  0.46101267  0.08241625
   0.71328483  0.26185808  0.33790534
   0.45104482  0.13946102  0.44642547
   0.68957487  0.09409213  0.53676806
   0.95207824  0.24738635  0.81138607
   0.58850880  0.36959008  0.54792172
   0.87484554  0.60431582  0.89373405
   1.13699730  0.57105240  0.55081505
   0.72250008  0.44211790  0.66730519
   0.75794015  0.11258972  0.89358125
   0.44495923  0.09014093  0.86595989
   0.50533284  0.58088129  0.01209265
   0.79717028  0.78050908  0.29440589
   0.58493588  0.85040634  0.05643597
   0.76962077  0.96072283  0.32593692
   0.88583572  0.93396845  0.05256917
   0.67903588  0.87768688  0.19868912
   0.78881027  0.62024842  0.40364131
   0.53118230  0.65395954  0.40832937
   0.61038423  0.56345327  0.53502328
   0.88003098  0.79748728  0.83854101
   0.78163854  0.81543299  0.49376109
   0.92959492  0.96172822  0.81233845
   0.99818463  0.89469885  0.68922217
   0.74857477  0.93062806  0.68304734
   0.71871064  0.69932877  0.94580023
   0.46891525  0.71439761  0.89627465
   3.56837735  0.33970059  3.46359473
   1.28734639 -0.24668143  2.52807162
   1.54440363  1.09000029  1.77502679
   1.85053537  2.94398698  0.04366390
  -4.24321644  0.13062733 -0.66969229
   0.64171945 -0.75123821  1.61023630
  -0.63607779  0.74331424 -0.65053819
  -0.07193533  0.30116355  0.33442384
  -2.42268848 -0.17793414 -1.11647044
   3.63067307  2.26205641 -1.47651680
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.942061   -3.671829    1.327901
    -0.000000   20.836299    5.029018
    -0.000000    0.000000   15.867741
   Si   O    H 
    32    64    10
Direct configuration=  3936
   0.16368248  0.18022450 -0.01041689
   0.34894921  0.12337540  0.39810393
   0.18968311  0.44127970  0.06260361
   0.84084498 -0.12450610  0.50649452
   0.15905562 -0.26142287  0.12934042
   0.30073932  0.07437185  0.83466132
   0.20485194  0.38390136  0.61100590
   0.34643493  0.39183224  0.75706198
   0.12097732  0.70623821 -0.02216286
   0.40652553  0.61697648  0.39548112
   0.18362043  1.00446357  0.14167564
   0.37594283  0.89766548  0.26620500
   0.13618128  0.63866952  0.49265259
   0.39303604  0.76497259  0.85961438
   0.10196632  0.93818300  0.60790618
   0.34061029  0.92429589  0.70885178
   0.46880895  0.02218604  0.97447887
   0.83179690  0.20712893  0.33358000
   0.64112465  0.40090837  0.06379643
   0.91790560  0.42144423  0.19707234
   0.60191903  0.24773804  0.43221746
   0.87594991  0.17639258  0.87446777
   0.58993678  0.41899459  0.62376325
   0.83104970  0.43118014  0.77426874
   0.56304125  0.66418862 -0.02372136
   0.90159492  0.59663272  0.37297728
   0.57180928  0.90028261  0.10666306
   0.75843032  0.84797074  0.26962827
   0.64438366  0.64602372  0.53049539
   0.89579952  0.67461672  0.91601679
   0.64485489  0.95283253  0.63002880
   0.89409212  0.88604957  0.77569527
   0.11838480  0.04958700  0.05738878
   0.34847971  0.17270712  0.31706340
   0.12985566  0.27061607  0.06561898
   0.39848931  0.55909911  0.32281653
   0.52805085  0.35236085  0.12783073
   0.26920869  0.42895477  0.14176959
   0.21004125  0.07758003  0.48843659
  -0.12611321  0.15160304  0.39503733
   0.04214173 -0.04575632  0.51863032
   0.32608901  0.31735599  0.82525928
   0.08396508  0.34467691  0.58450497
   0.34422763  0.49960742  0.77633201
   0.46058808  0.40130715  0.68181331
   0.23255716  0.39782503  0.69731498
   0.25032651  0.09361930 -0.09178796
   0.01146772  0.10082459  0.92234586
   0.14828228  0.65053505  0.06118013
   0.32544980  0.81964393  0.31665337
   0.06309101  0.77760937  0.09503305
   0.36094214  0.94885091  0.32578865
   0.46123464  0.92656201  0.16829972
   0.18306500  0.90839052  0.15284965
   0.29815702  0.63252775  0.40417349
   0.01474458  0.62693560  0.41371340
   0.31220630  0.38814899  0.52856815
   0.36865293  0.82179372  0.78144705
   0.08847711  0.70537073  0.48033712
   0.33823779  1.01291051  0.78232361
   0.49523287  0.95481591  0.64117170
   0.23905468  0.93226777  0.63884903
   0.25654009  0.76601087 -0.08255575
  -0.03529757  0.71256981  0.98000617
   0.60409808 -0.01685362  0.03892118
   0.84796131  0.24102578  0.20678345
   0.69210489  0.40752765 -0.03003575
   0.87944585  0.53996218  0.32438995
   0.01900526  0.42537230  0.10614603
   0.73373648  0.46449293  0.07966408
   0.70940316  0.26155910  0.33946583
   0.45551335  0.13975395  0.44664669
   0.68822045  0.09350550  0.53665469
   0.95543988  0.24725795  0.80960966
   0.59022085  0.37072989  0.54621565
   0.87249339  0.60465179  0.89263422
   1.13905785  0.57093098  0.55056215
   0.72209788  0.44184876  0.66924800
   0.75793602  0.11246316  0.89148886
   0.44644155  0.09057945  0.86408799
   0.50404187  0.58104026  0.01189718
   0.79689979  0.78064365  0.29418614
   0.58783279  0.85139662  0.05575192
   0.77118174  0.95894121  0.32366545
   0.88639461  0.93341071  0.05288970
   0.67978980  0.87827343  0.19779162
   0.78347998  0.62073350  0.40458049
   0.52932644  0.65364582  0.40911838
   0.60907161  0.56369054  0.53457069
   0.87742157  0.79586994  0.83944507
   0.77920003  0.81147933  0.49329621
   0.92893592  0.96045139  0.81357302
   0.99640475  0.89523173  0.69099188
   0.74556225  0.93060407  0.67680453
   0.71727005  0.70044155  0.94410375
   0.46883265  0.71459362  0.89756930
   3.59766881  0.36421816  3.49423573
   1.36878278 -0.28241079  2.62017659
   1.51549770  1.12004263  1.89910983
   1.82232616  3.03922337  0.09633862
  -4.20420453  0.19852207 -0.69854666
   0.72469247 -0.87652906  1.73979216
  -0.70775435  0.68957229 -0.66253766
  -0.04108390  0.23100151  0.33487197
  -2.51152806 -0.19252701 -1.17349959
   3.63502006  2.27070262 -1.54956403
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.934238   -3.726449    1.345230
    -0.000000   20.964049    5.089178
    -0.000000    0.000000   15.883966
   Si   O    H 
    32    64    10
Direct configuration=  3937
   0.16564568  0.18294859 -0.01281951
   0.35161259  0.12338406  0.39677275
   0.19135459  0.44177487  0.05964077
   0.84280879 -0.12194879  0.50767547
   0.16029157 -0.26080202  0.12918542
   0.30277937  0.07391068  0.83348465
   0.20544870  0.38397045  0.61150313
   0.34437660  0.39190631  0.75727028
   0.11954512  0.70634631 -0.02053445
   0.40591810  0.61677644  0.39703187
   0.18433682  1.00693390  0.14236862
   0.37454414  0.89750688  0.26735015
   0.13717568  0.63868881  0.49258888
   0.39167293  0.76533665  0.86011029
   0.10383868  0.93945663  0.60678272
   0.34168537  0.92491188  0.70972193
   0.46922058  0.02227250  0.97357109
   0.83423790  0.20557575  0.34118459
   0.64229423  0.40057614  0.06634406
   0.91927724  0.42376566  0.19714193
   0.59794662  0.24267175  0.42675832
   0.87480059  0.17624430  0.87624101
   0.59077564  0.41827626  0.62277663
   0.83088120  0.43222450  0.77149659
   0.56350212  0.66452552 -0.02596643
   0.90223037  0.59676147  0.37356341
   0.57137091  0.90182114  0.10729516
   0.76008668  0.84950775  0.26959009
   0.64498382  0.64595962  0.53062640
   0.89458636  0.67542216  0.91646814
   0.64459551  0.95410561  0.63205371
   0.89437592  0.88596017  0.77650432
   0.11614029  0.04650254  0.05720680
   0.34764626  0.17303587  0.31680232
   0.12634650  0.26955372  0.06931949
   0.39527751  0.56151002  0.31928287
   0.52211331  0.35037059  0.12866449
   0.26992492  0.42681487  0.14472997
   0.20806294  0.07613163  0.48982707
  -0.12631074  0.14890946  0.39515062
   0.04375666 -0.04805896  0.51839404
   0.32196574  0.31903707  0.82717764
   0.08333464  0.34493745  0.58330011
   0.34774188  0.49841054  0.77470124
   0.45980828  0.40183644  0.68068107
   0.23480376  0.39877829  0.69982199
   0.24958279  0.09192248 -0.09153110
   0.01099300  0.09901926  0.92245939
   0.14619573  0.64963026  0.06175664
   0.32451807  0.82082954  0.31882585
   0.06223679  0.77653395  0.09321775
   0.36032300  0.94880080  0.32480861
   0.46233499  0.92640747  0.16642652
   0.18380176  0.90604484  0.14989083
   0.29813355  0.63366376  0.40253684
   0.01485849  0.62640039  0.41442027
   0.31349610  0.38817533  0.52736475
   0.36935329  0.82345015  0.78140055
   0.09049962  0.70617413  0.48003439
   0.33677852  1.01116539  0.78265440
   0.49337082  0.95562807  0.64046648
   0.23994113  0.93153281  0.64073568
   0.25572237  0.76617776 -0.08055989
  -0.03411079  0.71397367  0.97692462
   0.60293108 -0.01963894  0.03676441
   0.84804699  0.24003239  0.20030484
   0.69693848  0.40968613 -0.03517093
   0.87744411  0.53818363  0.32423975
   0.01686192  0.42476511  0.10489291
   0.73174302  0.46835637  0.07716748
   0.70573554  0.26088950  0.34148493
   0.46040309  0.13992201  0.44768578
   0.68747619  0.09313068  0.53683754
   0.95869699  0.24734778  0.80770893
   0.59197174  0.37264341  0.54643573
   0.87081256  0.60476108  0.89181990
   1.14095227  0.57059691  0.55047799
   0.72153037  0.44126346  0.67102121
   0.75762290  0.11219965  0.88973785
   0.44907989  0.09096153  0.86244625
   0.50242692  0.58147990  0.01126484
   0.79636891  0.78064142  0.29385898
   0.59036613  0.85180792  0.05487691
   0.77301978  0.95737967  0.32090127
   0.88668779  0.93320855  0.05285367
   0.68008701  0.87857842  0.19708558
   0.77946251  0.62130543  0.40520289
   0.52852213  0.65405411  0.41006663
   0.60817618  0.56413911  0.53426189
   0.87561573  0.79482992  0.83974830
   0.77706798  0.80760486  0.49284364
   0.92777309  0.95878621  0.81409565
   0.99453510  0.89537600  0.69293339
   0.74301903  0.93051338  0.67134533
   0.71618848  0.70157133  0.94276673
   0.46934139  0.71475513  0.89916270
   3.62778388  0.37748121  3.49770370
   1.44373079 -0.31338624  2.70436807
   1.48583507  1.15022573  2.00766238
   1.79816573  3.12257935  0.14479375
  -4.34558445  0.20930794 -0.87046972
   0.79609039 -0.98968524  1.85870925
  -0.77137538  0.64011744 -0.66734032
  -0.00437704  0.17395257  0.33722947
  -2.55342457 -0.19082998 -1.23549838
   3.83871988  2.41432285 -1.50267955
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.926132   -3.779692    1.362798
    -0.000000   21.089431    5.147672
    -0.000000    0.000000   15.899997
   Si   O    H 
    32    64    10
Direct configuration=  3938
   0.16792849  0.18564403 -0.01518588
   0.35370489  0.12293846  0.39611355
   0.19369048  0.44218218  0.05653766
   0.84415904 -0.12013454  0.50848116
   0.16157637 -0.26017878  0.12912706
   0.30493029  0.07289090  0.83183154
   0.20697173  0.38381181  0.61181045
   0.34256340  0.39222009  0.75725948
   0.11793364  0.70632921 -0.01885419
   0.40527357  0.61604035  0.39755167
   0.18449125  1.00910778  0.14292527
   0.37306590  0.89714795  0.26838185
   0.13780074  0.63924395  0.49234514
   0.39226194  0.76487825  0.86090628
   0.10567195  0.94063228  0.60576490
   0.34324352  0.92612731  0.71024177
   0.47017791  0.02246567  0.97309237
   0.83549815  0.20333385  0.34788183
   0.64397010  0.40057877  0.06800659
   0.92086111  0.42569926  0.19761852
   0.59451439  0.23829989  0.42086391
   0.87354671  0.17625961  0.87854601
   0.59258172  0.41705297  0.62195084
   0.82993697  0.43299094  0.76822093
   0.56481271  0.66484314 -0.02810562
   0.90256918  0.59680392  0.37440307
   0.57047736  0.90368227  0.10722649
   0.76184780  0.85109671  0.26929626
   0.64483855  0.64524729  0.53012167
   0.89269627  0.67598546  0.91677193
   0.64453293  0.95524701  0.63346831
   0.89454542  0.88604133  0.77751402
   0.11462598  0.04352685  0.05756039
   0.34736271  0.17357074  0.31533438
   0.12494022  0.26837386  0.07137964
   0.39286128  0.56449533  0.31638768
   0.51663788  0.34829017  0.12961586
   0.27055333  0.42497282  0.14772864
   0.20735608  0.07551080  0.49039574
  -0.12975156  0.14646643  0.39579790
   0.04517704 -0.05016192  0.51889604
   0.31724902  0.32014217  0.82899468
   0.08318775  0.34544218  0.58325322
   0.35180417  0.49704817  0.77222408
   0.45904153  0.40220494  0.67942448
   0.23692238  0.39967494  0.70257535
   0.24818447  0.09095878 -0.09118816
   0.00952314  0.09774490  0.92168745
   0.14544772  0.64966517  0.06239855
   0.32319914  0.82203586  0.32040730
   0.06254552  0.77498825  0.09079222
   0.36091281  0.94884903  0.32430686
   0.46395716  0.92580572  0.16531763
   0.18361378  0.90366540  0.14729028
   0.29645816  0.63528463  0.40079736
   0.01444427  0.62581566  0.41584883
   0.31482710  0.38823428  0.52619177
   0.36877963  0.82675913  0.77885917
   0.09303091  0.70624466  0.48052921
   0.33600788  1.00978094  0.78254161
   0.49030283  0.95663634  0.64061093
   0.24046055  0.93072538  0.64324847
   0.25536181  0.76632433 -0.07879643
  -0.03194684  0.71550031  0.97477967
   0.60229828 -0.02241515  0.03500423
   0.84611888  0.23914207  0.19418706
   0.70189158  0.41167631 -0.03981112
   0.87638011  0.53722420  0.32392324
   0.01439214  0.42453349  0.10330774
   0.73006073  0.47151032  0.07510328
   0.70143073  0.26087704  0.34305300
   0.46467561  0.13947627  0.44934633
   0.68702504  0.09269532  0.53719628
   0.96133635  0.24672426  0.80578597
   0.59129491  0.37526735  0.55026200
   0.86980050  0.60521069  0.89114871
   1.14262471  0.57010239  0.55009890
   0.72057604  0.44006353  0.67374901
   0.75813945  0.11159624  0.88773328
   0.44986987  0.09056977  0.86045316
   0.49946418  0.58176161  0.01095612
   0.79618515  0.78089627  0.29389216
   0.59265635  0.85255055  0.05405705
   0.77557649  0.95565422  0.31837409
   0.88724787  0.93290645  0.05316753
   0.67977535  0.87890248  0.19651250
   0.77639944  0.62164095  0.40566336
   0.52806337  0.65457369  0.41183822
   0.60792223  0.56530645  0.53341291
   0.87371402  0.79412156  0.84012490
   0.77598395  0.80514587  0.49321817
   0.92621316  0.95701596  0.81434321
   0.99324995  0.89580175  0.69457788
   0.74161839  0.93023514  0.66648118
   0.71437448  0.70265440  0.94186395
   0.46910490  0.71460971  0.90140363
   3.70455832  0.40474716  3.46490053
   1.50179370 -0.35427675  2.79096458
   1.47922095  1.18714139  2.12861683
   1.77653150  3.20094839  0.19316918
  -4.45982822  0.21630512 -1.01054399
   0.88051509 -1.07886602  1.96738264
  -0.81036931  0.59514104 -0.69553616
   0.12209928  0.12098317  0.33497551
  -2.60006907 -0.18523054 -1.27882568
   3.98602164  2.53440486 -1.47109161
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.916283   -3.831860    1.380788
    -0.000000   21.212095    5.205371
    -0.000000    0.000000   15.914940
   Si   O    H 
    32    64    10
Direct configuration=  3939
   0.17099183  0.18826861 -0.01748150
   0.35551793  0.12249844  0.39534647
   0.19624622  0.44292913  0.05280834
   0.84410571 -0.11988208  0.50914175
   0.16193811 -0.25972603  0.12906544
   0.30742274  0.07152330  0.83059328
   0.20836909  0.38325457  0.61244949
   0.34062728  0.39232463  0.75748979
   0.11617727  0.70636525 -0.01701083
   0.40416152  0.61475572  0.39782747
   0.18413210  1.01116173  0.14294666
   0.37187725  0.89714606  0.26924066
   0.13721902  0.63940344  0.49205175
   0.39147680  0.76446152  0.86220300
   0.10766410  0.94133551  0.60520701
   0.34398007  0.92739606  0.71086863
   0.47097271  0.02260681  0.97320828
   0.83701828  0.20074221  0.35418072
   0.64613164  0.40078384  0.06883231
   0.92188778  0.42715953  0.19852184
   0.59081452  0.23411159  0.41632789
   0.87188697  0.17602647  0.88082626
   0.59593495  0.41574411  0.62107185
   0.82786028  0.43347033  0.76493777
   0.56615201  0.66539074 -0.03011445
   0.90245348  0.59670947  0.37451860
   0.56999786  0.90580004  0.10638748
   0.76308128  0.85230805  0.26913277
   0.64448366  0.64415769  0.52931753
   0.89036463  0.67656406  0.91657457
   0.64389087  0.95631224  0.63460631
   0.89413241  0.88582942  0.77865277
   0.11397202  0.03972931  0.05971053
   0.34592879  0.17362976  0.31424524
   0.12366481  0.26670235  0.07362866
   0.39111977  0.56738161  0.31414831
   0.51272658  0.34623810  0.13013750
   0.26969283  0.42350426  0.15077834
   0.20819036  0.07585156  0.48985817
  -0.13249294  0.14374695  0.39798371
   0.04650391 -0.05182989  0.51929853
   0.31269196  0.32035052  0.83085142
   0.08391811  0.34660134  0.58308333
   0.35552760  0.49658243  0.76976622
   0.45768984  0.40240693  0.67830397
   0.23971138  0.40056940  0.70482298
   0.24703186  0.09088821 -0.09180951
   0.00733260  0.09669007  0.92061010
   0.14439789  0.65010202  0.06265938
   0.32207587  0.82336921  0.32143006
   0.06440206  0.77363063  0.08786584
   0.36276599  0.94910477  0.32426128
   0.46607942  0.92497239  0.16504899
   0.18342493  0.90196699  0.14482690
   0.29243854  0.63665002  0.39866178
   0.01529630  0.62587021  0.41613108
   0.31606817  0.38863916  0.52553633
   0.36935029  0.82921268  0.77536468
   0.09547423  0.70591190  0.48147169
   0.33455909  1.00823288  0.78148723
   0.48579714  0.95635012  0.64245151
   0.24026578  0.93039527  0.64496251
   0.25491494  0.76630267 -0.07702095
  -0.02841318  0.71704458  0.97322166
   0.60170829 -0.02563747  0.03319100
   0.84577373  0.23903318  0.19013073
   0.70485619  0.41289469 -0.04293063
   0.87658302  0.53701498  0.32379841
   0.01109941  0.42462244  0.10271350
   0.72775062  0.47395243  0.07361097
   0.69870616  0.26150185  0.34268991
   0.46742795  0.13854125  0.45033777
   0.68720952  0.09236516  0.53694902
   0.96420141  0.24670870  0.80306871
   0.59026732  0.37701211  0.55325634
   0.86892840  0.60650243  0.89062699
   1.14268237  0.56858464  0.54965079
   0.72012652  0.43869115  0.67794376
   0.75910191  0.11156071  0.88555446
   0.45080370  0.08999092  0.85976899
   0.49653926  0.58158468  0.01120070
   0.79571543  0.78172633  0.29406523
   0.59528207  0.85318196  0.05378112
   0.77871454  0.95393678  0.31635248
   0.88736881  0.93274274  0.05182848
   0.67892990  0.87939828  0.19586986
   0.77391348  0.62230820  0.40599426
   0.52832185  0.65543306  0.41389697
   0.60780727  0.56747598  0.53220661
   0.87257990  0.79406110  0.84039593
   0.77655649  0.80514938  0.49349159
   0.92444683  0.95501633  0.81462970
   0.99208803  0.89627141  0.69546918
   0.74067982  0.92963835  0.66180520
   0.71247412  0.70317633  0.94138104
   0.46921682  0.71554389  0.90400027
   3.76838185  0.43960457  3.45592184
   1.53770496 -0.41250025  2.87009370
   1.46428836  1.21867282  2.23570942
   1.71186135  3.27519853  0.20855524
  -4.57941277  0.21965322 -1.14259808
   0.94721329 -1.14813021  2.08711254
  -0.83326700  0.56027112 -0.71739684
   0.26993429  0.07256878  0.35260249
  -2.62188450 -0.16155278 -1.32528022
   4.17062352  2.66236617 -1.42533919
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.905208   -3.883128    1.398982
    -0.000000   21.332231    5.262765
    -0.000000    0.000000   15.928656
   Si   O    H 
    32    64    10
Direct configuration=  3940
   0.17418783  0.19108915 -0.01991456
   0.35631616  0.12308739  0.39449746
   0.19931720  0.44387436  0.04882902
   0.84261907 -0.12133321  0.50981365
   0.16185541 -0.25894845  0.12912701
   0.31032490  0.07011961  0.82985964
   0.20911476  0.38238701  0.61325080
   0.33888810  0.39275000  0.75765874
   0.11436474  0.70598983 -0.01535692
   0.40352908  0.61324646  0.39782281
   0.18430139  1.01327176  0.14229603
   0.37087133  0.89699702  0.26993531
   0.13701415  0.63943830  0.49158594
   0.39136721  0.76412342  0.86280275
   0.10943931  0.94181990  0.60544896
   0.34397343  0.92875936  0.71155779
   0.47222338  0.02288259  0.97301959
   0.83858516  0.19764146  0.36016540
   0.64851108  0.40069539  0.06903262
   0.92345139  0.42885415  0.19929505
   0.58661322  0.23030169  0.41258191
   0.86938111  0.17551392  0.88293199
   0.60018403  0.41451589  0.62058193
   0.82489518  0.43382036  0.76118434
   0.56708092  0.66601961 -0.03278973
   0.90153336  0.59611950  0.37423512
   0.57041946  0.90765819  0.10540688
   0.76447977  0.85335828  0.26864751
   0.64381014  0.64313642  0.52822693
   0.88800652  0.67692108  0.91664139
   0.64326231  0.95756337  0.63513149
   0.89412926  0.88576925  0.77968189
   0.11435380  0.03616945  0.06248842
   0.34522564  0.17583768  0.31376788
   0.12224727  0.26520124  0.07600699
   0.38945382  0.57049948  0.31223477
   0.50809668  0.34432130  0.13044963
   0.26594836  0.42196936  0.15449396
   0.21096988  0.07597270  0.49014926
  -0.13511107  0.14056739  0.40163016
   0.04716743 -0.05334440  0.52005772
   0.30749871  0.31965493  0.83279082
   0.08539344  0.34791924  0.58332608
   0.35949826  0.49613397  0.76778753
   0.45632294  0.40218060  0.67727278
   0.24180540  0.40134180  0.70691130
   0.24772653  0.09164158 -0.09410768
   0.00516671  0.09539730  0.91920565
   0.14274548  0.65047266  0.06327828
   0.32093894  0.82428248  0.32255437
   0.06725567  0.77243308  0.08486361
   0.36374154  0.94876584  0.32427471
   0.46770772  0.92383420  0.16540835
   0.18244607  0.90048649  0.14224019
   0.28811849  0.63764922  0.39642392
   0.01563866  0.62655722  0.41597636
   0.31694878  0.38887106  0.52585348
   0.36871478  0.83198529  0.77422761
   0.09593231  0.70733345  0.48137518
   0.33324845  1.00638325  0.78058922
   0.48145590  0.95611480  0.64414035
   0.24003170  0.93097580  0.64601560
   0.25544102  0.76671839 -0.07659297
  -0.02446763  0.71857380  0.97200213
   0.60042520 -0.02881071  0.03156983
   0.84726108  0.23902789  0.18530764
   0.70641468  0.41338808 -0.04469643
   0.87690828  0.53700716  0.32469673
   0.00791378  0.42521661  0.10218450
   0.72516568  0.47588457  0.07277054
   0.69751898  0.26350223  0.34175299
   0.47007622  0.13796701  0.45119931
   0.68737187  0.09182945  0.53721909
   0.96782419  0.24713470  0.80029230
   0.58963411  0.37924127  0.55554536
   0.86952213  0.60829779  0.89042186
   1.14385709  0.56494136  0.54940556
   0.72073426  0.43715144  0.68314802
   0.75968464  0.11110011  0.88314133
   0.45065489  0.08898781  0.86056791
   0.49451120  0.58131662  0.01149518
   0.79498275  0.78303010  0.29351132
   0.59714984  0.85385994  0.05350790
   0.78205725  0.95233165  0.31534256
   0.88723017  0.93341533  0.04996639
   0.67749563  0.88035864  0.19545606
   0.77252042  0.62339723  0.40616253
   0.52828780  0.65578125  0.41584856
   0.60784656  0.57005540  0.53033449
   0.87226637  0.79522741  0.83996510
   0.77954309  0.80748298  0.49396249
   0.92154562  0.95268418  0.81611563
   0.99192472  0.89742591  0.69498743
   0.74056573  0.92875092  0.65741686
   0.71040512  0.70291953  0.94128095
   0.46945116  0.71657946  0.90675817
   3.81976606  0.46267570  3.44122622
   1.53901368 -0.47218708  2.93495588
   1.40951540  1.22282124  2.34752546
   1.65003686  3.35463173  0.21640262
  -4.70117290  0.21145343 -1.25213972
   1.01662034 -1.22107185  2.21074691
  -0.83249999  0.52834703 -0.74541380
   0.37563742 -0.00968634  0.33903700
  -2.62244881 -0.15235146 -1.38614523
   4.35474439  2.78197947 -1.36198690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.893069   -3.932907    1.416883
    -0.000000   21.449925    5.319391
    -0.000000    0.000000   15.941121
   Si   O    H 
    32    64    10
Direct configuration=  3941
   0.17737562  0.19389021 -0.02192211
   0.35648473  0.12401795  0.39385442
   0.20186622  0.44478972  0.04501234
   0.84072858 -0.12372746  0.51021279
   0.16153899 -0.25733146  0.12820683
   0.31326821  0.06895425  0.82923181
   0.21005245  0.38144984  0.61429688
   0.33788445  0.39347749  0.75770434
   0.11343836  0.70563045 -0.01380330
   0.40308299  0.61192595  0.39746458
   0.18398298  1.01505744  0.14086089
   0.36979011  0.89696857  0.27040435
   0.13634816  0.63933830  0.49130833
   0.39086617  0.76443622  0.86219160
   0.11163672  0.94237324  0.60576567
   0.34429098  0.92993592  0.71253994
   0.47323317  0.02304578  0.97295709
   0.83988374  0.19421468  0.36561990
   0.65091435  0.40085324  0.06907324
   0.92533973  0.43015194  0.19963308
   0.58247942  0.22646177  0.40977493
   0.86608587  0.17488917  0.88487893
   0.60461055  0.41360593  0.62105587
   0.82120053  0.43399830  0.75747706
   0.56756306  0.66676944 -0.03507138
   0.90040806  0.59524384  0.37342103
   0.57072499  0.90875454  0.10439079
   0.76562996  0.85475061  0.26797646
   0.64293860  0.64209434  0.52738757
   0.88600084  0.67736089  0.91706020
   0.64274408  0.95861170  0.63536489
   0.89384978  0.88547752  0.78092057
   0.11521902  0.03303724  0.06578291
   0.34412190  0.17776609  0.31248996
   0.12154563  0.26472718  0.07877858
   0.38781013  0.57324942  0.31138605
   0.50380997  0.34304379  0.13084412
   0.26044484  0.42036325  0.15888337
   0.21377317  0.07557736  0.49133072
  -0.13800003  0.13669156  0.40672376
   0.04818317 -0.05451756  0.52120647
   0.30286121  0.31933498  0.83397569
   0.08726877  0.34919444  0.58408141
   0.36274189  0.49461842  0.76650279
   0.45476825  0.40188294  0.67650690
   0.24312593  0.40205695  0.70833811
   0.24837708  0.09175067 -0.09739618
   0.00339233  0.09431880  0.91769630
   0.14120921  0.65007006  0.06314367
   0.32018015  0.82498194  0.32420773
   0.07112183  0.77105961  0.08339212
   0.36480171  0.94757949  0.32452908
   0.46814989  0.92239368  0.16690346
   0.18109320  0.89914654  0.14071330
   0.28423890  0.63933281  0.39407961
   0.01436107  0.62633333  0.41626541
   0.31734674  0.38930707  0.52689683
   0.36848309  0.83443616  0.77284996
   0.09679067  0.70772206  0.48151946
   0.33127166  1.00417024  0.77981429
   0.47775043  0.95609147  0.64590940
   0.23866418  0.93208225  0.64675689
   0.25506776  0.76703228 -0.07548265
  -0.02147013  0.71947325  0.97156768
   0.59969904 -0.03125112  0.02956088
   0.84922351  0.23917436  0.18036091
   0.70838550  0.41456047 -0.04720703
   0.87556670  0.53673486  0.32755825
   0.00420159  0.42574290  0.10295965
   0.72131755  0.47637140  0.07330958
   0.69522252  0.26737192  0.33994179
   0.47273170  0.13765608  0.45177809
   0.68797041  0.09157080  0.53674251
   0.97169882  0.24753787  0.79745224
   0.58839404  0.37993885  0.55665996
   0.87041137  0.61017313  0.89040505
   1.14503093  0.56147485  0.54904674
   0.72170673  0.43560178  0.68877181
   0.76088508  0.11056704  0.88084359
   0.44955079  0.08777907  0.86249527
   0.49322695  0.58159073  0.01138896
   0.79558167  0.78404540  0.29226382
   0.59813535  0.85459098  0.05367706
   0.78536188  0.95060772  0.31543904
   0.88707285  0.93431979  0.04782715
   0.67555147  0.88159396  0.19495467
   0.77108837  0.62420007  0.40639423
   0.52869296  0.65586947  0.41743572
   0.60765021  0.57296220  0.52798560
   0.87209849  0.79688006  0.83901917
   0.78266216  0.81095172  0.49508855
   0.91800842  0.95027960  0.81781122
   0.99246684  0.89872667  0.69349092
   0.74107627  0.92755398  0.65345107
   0.70892013  0.70289092  0.94175475
   0.47020421  0.71755596  0.90905589
   3.89540179  0.51250047  3.39042139
   1.54743382 -0.53263315  2.98044388
   1.37169588  1.21998247  2.47318762
   1.58677906  3.42370259  0.20611768
  -4.80383521  0.19470144 -1.36085752
   1.07224211 -1.28033661  2.30198613
  -0.81378095  0.50419590 -0.76567025
   0.48090371 -0.07326191  0.32783384
  -2.61249311 -0.14913861 -1.43531914
   4.51368727  2.89001777 -1.30342132
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.880472   -3.981273    1.434409
    -0.000000   21.564645    5.375801
    -0.000000    0.000000   15.952751
   Si   O    H 
    32    64    10
Direct configuration=  3942
   0.18074445  0.19656744 -0.02353058
   0.35685430  0.12460622  0.39402988
   0.20452268  0.44573486  0.04125247
   0.83927654 -0.12593881  0.51000559
   0.16145259 -0.25565261  0.12644179
   0.31605173  0.06788629  0.82855521
   0.21117481  0.38033136  0.61556218
   0.33754065  0.39385216  0.75820211
   0.11355141  0.70562679 -0.01185809
   0.40235906  0.61067677  0.39642063
   0.18326305  1.01639868  0.13949915
   0.36740872  0.89723327  0.27025826
   0.13563934  0.63938099  0.49195648
   0.39124488  0.76527260  0.86108390
   0.11393346  0.94301994  0.60595789
   0.34335350  0.93101536  0.71429104
   0.47467323  0.02300478  0.97269154
   0.84059558  0.19138287  0.36966250
   0.65267958  0.40165348  0.06862934
   0.92766591  0.43139440  0.19987322
   0.57893782  0.22204521  0.40678520
   0.86229539  0.17421245  0.88639149
   0.60860311  0.41309996  0.62286119
   0.81736116  0.43436203  0.75383911
   0.56800659  0.66770846 -0.03730462
   0.89960011  0.59303361  0.37318601
   0.57141142  0.90957735  0.10363623
   0.76618347  0.85575527  0.26679997
   0.64193123  0.64089409  0.52663370
   0.88434097  0.67791335  0.91736675
   0.63906155  0.95696734  0.63819330
   0.89410245  0.88488898  0.78261122
   0.11583198  0.03004513  0.06822336
   0.34367686  0.17907580  0.31238839
   0.12119067  0.26448006  0.08195477
   0.38635708  0.57559833  0.31057407
   0.49847131  0.34233124  0.13180353
   0.25290273  0.41980165  0.16346747
   0.21672437  0.07540786  0.49201138
  -0.14008518  0.13217874  0.41251177
   0.05033768 -0.05539093  0.52279629
   0.29880175  0.31943046  0.83416466
   0.08987473  0.35092463  0.58454491
   0.36582304  0.49281406  0.76572561
   0.45276655  0.40190818  0.67603895
   0.24312102  0.40276669  0.70831578
   0.24869124  0.09171768 -0.10118074
   0.00225943  0.09342487  0.91559056
   0.14056448  0.64952405  0.06288323
   0.31694055  0.82395516  0.32630071
   0.07559212  0.76974116  0.08189186
   0.36850836  0.94697912  0.32549414
   0.46825342  0.92039808  0.16740275
   0.18040775  0.89799843  0.13973326
   0.28082690  0.64107209  0.39209096
   0.01216680  0.62640355  0.41643622
   0.31724683  0.38957986  0.52842276
   0.37011689  0.83662703  0.77094789
   0.09831907  0.70832469  0.48206820
   0.32945044  1.00223523  0.77889662
   0.47311744  0.95689982  0.64681934
   0.23716764  0.93337256  0.64691210
   0.25490033  0.76773360 -0.07523795
  -0.01946672  0.72005797  0.97131142
   0.59959470 -0.03290540  0.02740506
   0.85166003  0.23961028  0.17598875
   0.71156900  0.41561320 -0.05147899
   0.87332102  0.53624336  0.32961642
   0.00048966  0.42636773  0.10301851
   0.71540770  0.47645956  0.07514958
   0.69256120  0.27109795  0.33889455
   0.47461021  0.13892078  0.45179911
   0.68901539  0.09106239  0.53606373
   0.97619645  0.24793516  0.79472340
   0.58799636  0.37966742  0.55545482
   0.87080065  0.61231558  0.89106328
   1.14653398  0.55821879  0.54866737
   0.72272780  0.43384464  0.69439642
   0.76314507  0.11043548  0.87817122
   0.44869140  0.08605375  0.86526250
   0.49245745  0.58260042  0.01111063
   0.79630051  0.78536687  0.29084717
   0.59921526  0.85558316  0.05436346
   0.78863906  0.94901620  0.31608955
   0.88609467  0.93552054  0.04639948
   0.67326354  0.88265428  0.19430103
   0.77187254  0.62480124  0.40686686
   0.52913115  0.65547670  0.41857698
   0.60770744  0.57626892  0.52517792
   0.87255988  0.79841901  0.83825876
   0.78533618  0.81427419  0.49573078
   0.91414925  0.94743383  0.81991361
   0.99239269  0.89993296  0.69128477
   0.74309835  0.92679989  0.64960301
   0.70874369  0.70293760  0.94240662
   0.47078711  0.71837212  0.91135112
   3.96097224  0.59855540  3.35238615
   1.58258753 -0.59534119  3.03538669
   1.30724291  1.21022415  2.61062656
   1.54314056  3.48280170  0.16296124
  -4.88014797  0.19143683 -1.46990683
   1.12640331 -1.32858392  2.38609812
  -0.77213948  0.49507750 -0.76861507
   0.57818110 -0.10910214  0.34333364
  -2.59204861 -0.14599117 -1.48149349
   4.69038906  3.01467060 -1.26103356
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.873924   -4.024203    1.449455
    -0.000000   21.677101    5.429708
    -0.000000    0.000000   15.964097
   Si   O    H 
    32    64    10
Direct configuration=  3943
   0.18407650  0.19905198 -0.02480847
   0.35640347  0.12456268  0.39516838
   0.20709249  0.44655410  0.03774289
   0.83859215 -0.12714914  0.51025126
   0.16176460 -0.25417190  0.12554862
   0.31926337  0.06666503  0.82782213
   0.21198925  0.37885140  0.61728870
   0.33736292  0.39411192  0.75874562
   0.11426531  0.70563951 -0.00999003
   0.40163577  0.60954082  0.39478290
   0.18245437  1.01712379  0.13858799
   0.36477566  0.89751713  0.27013553
   0.13180691  0.64008113  0.48905660
   0.39138596  0.76598345  0.86002043
   0.11588331  0.94332330  0.60634120
   0.34264361  0.93209384  0.71592605
   0.47705580  0.02306472  0.97239940
   0.84042871  0.18918832  0.37274070
   0.65684711  0.40430058  0.06605610
   0.92941350  0.43258730  0.20005922
   0.57491433  0.21782109  0.40430564
   0.85843391  0.17348793  0.88789192
   0.61172612  0.41265304  0.62513084
   0.81391179  0.43451443  0.75174179
   0.56799017  0.66827958 -0.03946751
   0.85792811  0.58885370  0.38781863
   0.57201355  0.90996175  0.10279479
   0.76756390  0.85679433  0.26550095
   0.64209106  0.64019675  0.52564848
   0.88257486  0.67835132  0.91772233
   0.63515919  0.95547217  0.64038832
   0.89472324  0.88391163  0.78470950
   0.11534547  0.02754976  0.06984101
   0.34406860  0.18055123  0.31160591
   0.12130236  0.26430551  0.08548086
   0.38619004  0.57760965  0.30938683
   0.49871712  0.34073155  0.13452561
   0.24663681  0.41997138  0.16755083
   0.21965464  0.07621340  0.49262663
  -0.14217744  0.12755689  0.41839974
   0.05245450 -0.05602000  0.52444560
   0.29593000  0.31994289  0.83305188
   0.09198165  0.35266143  0.58537155
   0.36845889  0.49067122  0.76494808
   0.45053676  0.40199342  0.67506811
   0.24241165  0.40341996  0.70759283
   0.24864761  0.09108593 -0.10544366
   0.00141480  0.09287267  0.91371480
   0.13914618  0.64870469  0.06258882
   0.31533808  0.82357356  0.32743733
   0.07871048  0.76868339  0.07958428
   0.37319424  0.94617747  0.32527930
   0.46819427  0.91823357  0.16877398
   0.18007381  0.89726926  0.13936915
   0.27330641  0.64268486  0.39028884
   0.01068370  0.62424633  0.42696123
   0.31727578  0.39020192  0.53020564
   0.37234400  0.83858100  0.76798186
   0.10040832  0.70903794  0.48258643
   0.32832572  1.00086966  0.77775887
   0.46843090  0.95736318  0.64785882
   0.23501826  0.93430422  0.64721655
   0.25404235  0.76821085 -0.07418267
  -0.01865839  0.72056262  0.97134790
   0.59979108 -0.03420281  0.02492673
   0.85495636  0.24054735  0.17204718
   0.71817762  0.41550691 -0.05333288
   0.85569153  0.52564274  0.33295958
  -0.00447883  0.42625512  0.10354484
   0.70820976  0.47461433  0.08018217
   0.69132428  0.27492400  0.33742325
   0.47530379  0.14035477  0.45180296
   0.69054620  0.09000984  0.53683656
   0.98057183  0.24791972  0.79262055
   0.58696488  0.37856046  0.55346998
   0.87079268  0.61426564  0.89208634
   1.14744553  0.55449727  0.54766864
   0.72365209  0.43244175  0.69973829
   0.76605865  0.10990911  0.87461996
   0.44677998  0.08364478  0.86877872
   0.49408542  0.58501055  0.01038390
   0.79676520  0.78749159  0.28896596
   0.60005840  0.85685787  0.05541847
   0.79229470  0.94739054  0.31676504
   0.88489474  0.93660334  0.04510992
   0.67014729  0.88373219  0.19343746
   0.78701730  0.62222224  0.40284752
   0.52832308  0.65444450  0.41945022
   0.60728694  0.57882711  0.52262288
   0.87401450  0.80090642  0.83705958
   0.78588500  0.81562900  0.49554927
   0.90975828  0.94468454  0.82252187
   0.99149813  0.90123828  0.68887515
   0.74487141  0.92621965  0.64549397
   0.70917172  0.70263413  0.94258070
   0.47187248  0.71924926  0.91340669
   4.29838256  0.97408106  3.83079688
   1.40784936 -0.60755157  3.04213191
   1.26042115  1.20245234  2.72216079
   1.55173337  3.52089389  0.07691399
  -4.92743415  0.18885750 -1.58129460
   1.21808275 -1.38586626  2.53319778
  -0.71754807  0.49603130 -0.74372653
   0.64222500 -0.14114340  0.35162917
  -2.57051218 -0.13689662 -1.50726689
   4.83098781  3.12897076 -1.22060656
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.886374   -4.058605    1.455110
    -0.000000   21.787930    5.478853
    -0.000000    0.000000   15.977327
   Si   O    H 
    32    64    10
Direct configuration=  3944
   0.18694125  0.20099373 -0.02538335
   0.35636867  0.12405822  0.39784258
   0.20928739  0.44770256  0.03390017
   0.83882088 -0.12714879  0.51131949
   0.16204668 -0.25314253  0.12501486
   0.32224279  0.06463256  0.82677389
   0.21278327  0.37732714  0.61924942
   0.33772936  0.39438863  0.75933860
   0.11491164  0.70568500 -0.00771331
   0.40143607  0.60841027  0.39166416
   0.18186634  1.01737445  0.13822052
   0.36225921  0.89740256  0.27058958
   0.12892696  0.64040103  0.48692584
   0.39168324  0.76698609  0.85898086
   0.11761383  0.94350491  0.60629840
   0.34233054  0.93323153  0.71769443
   0.47923479  0.02305971  0.97218125
   0.83968899  0.18645607  0.37606469
   0.66232177  0.40709066  0.06382590
   0.93141555  0.43370194  0.20005028
   0.57084389  0.21385329  0.40222920
   0.85432012  0.17325386  0.89009035
   0.61389908  0.41204648  0.62785152
   0.81115765  0.43453854  0.75058915
   0.56754461  0.66842203 -0.04142428
   0.82173781  0.58377882  0.40041973
   0.57190600  0.90983109  0.10231908
   0.76959356  0.85834466  0.26339208
   0.64302477  0.64016044  0.52490380
   0.88122563  0.67895859  0.91833113
   0.63202522  0.95386127  0.64192641
   0.89547517  0.88289674  0.78687893
   0.11416274  0.02563377  0.06976388
   0.34405454  0.18192525  0.31153601
   0.12153309  0.26446133  0.08936465
   0.38735767  0.57995785  0.30880324
   0.49747695  0.33871867  0.13671951
   0.24178028  0.41938339  0.17113076
   0.22294691  0.07759956  0.49268356
  -0.14065949  0.12576929  0.42279451
   0.05543656 -0.05610258  0.52592868
   0.29358764  0.32136544  0.83053970
   0.09357154  0.35398707  0.58669484
   0.37085471  0.48835745  0.76499597
   0.44818458  0.40200094  0.67449920
   0.24095775  0.40382414  0.70644054
   0.24856919  0.08926710 -0.11030901
   0.00067177  0.09220834  0.91206725
   0.13803939  0.64763645  0.06188653
   0.31307578  0.82361874  0.32804863
   0.08076740  0.76792932  0.07630605
   0.37824148  0.94562924  0.32500664
   0.46745849  0.91613415  0.17128548
   0.18011259  0.89646988  0.13953046
   0.26750051  0.64392795  0.38785817
   0.00707565  0.62360052  0.43618643
   0.31734184  0.39077248  0.53233562
   0.37546112  0.84069505  0.76454043
   0.10002504  0.70965830  0.48220193
   0.32784993  0.99976580  0.77662322
   0.46342588  0.95785350  0.64828825
   0.23374812  0.93534021  0.64818249
   0.25186915  0.76822629 -0.07282138
  -0.01849521  0.72096718  0.97168105
   0.59975312 -0.03537019  0.02248378
   0.85936714  0.24167831  0.16928832
   0.72462792  0.41555090 -0.05605013
   0.83893808  0.51641821  0.33643524
  -0.01195447  0.42577515  0.10466860
   0.70179108  0.47286763  0.08525128
   0.69144502  0.27886676  0.33601979
   0.47488056  0.14135214  0.45128283
   0.69142066  0.08883841  0.53824585
   0.98349694  0.24708175  0.79097654
   0.58551256  0.37694783  0.55109036
   0.87143707  0.61603179  0.89297242
   1.14893797  0.55165881  0.54925799
   0.72254764  0.43131090  0.70391760
   0.77311628  0.11166526  0.87021104
   0.44136757  0.08061491  0.87171933
   0.49561897  0.58891152  0.00912975
   0.79688037  0.79031693  0.28731706
   0.60103395  0.85819563  0.05636580
   0.79752454  0.94576724  0.31705671
   0.88393946  0.93763360  0.04375735
   0.66681128  0.88461511  0.19240687
   0.79633250  0.62144836  0.40083612
   0.52860100  0.65281571  0.41997186
   0.60627748  0.58095247  0.51979969
   0.87622998  0.80384028  0.83539046
   0.78383533  0.81450914  0.49452550
   0.90506269  0.94187899  0.82534169
   0.98920753  0.90244401  0.68641532
   0.74666878  0.92618107  0.64145181
   0.71067685  0.70258431  0.94279034
   0.47192825  0.72022058  0.91543189
   4.49033172  1.33189222  3.35562796
   1.21195937 -0.64064470  3.05159884
   1.24477229  1.20234267  2.81668513
   1.61707821  3.56685804 -0.00490177
  -5.02022222  0.16629590 -1.68455377
   1.26247613 -1.47962656  2.67470131
  -0.68627776  0.50299073 -0.70203510
   0.64912977 -0.19566890  0.38658732
  -2.53144361 -0.12445955 -1.53582350
   4.96379453  3.21934383 -1.21625611
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.913818   -4.085026    1.452859
    -0.000000   21.897822    5.523447
    -0.000000    0.000000   15.991954
   Si   O    H 
    32    64    10
Direct configuration=  3945
   0.18971590  0.20251079 -0.02670196
   0.35644985  0.12355798  0.40116596
   0.21329080  0.45135275  0.02771070
   0.84019718 -0.12611539  0.51255463
   0.16293265 -0.25241466  0.12405969
   0.32545915  0.06254210  0.82608441
   0.21389317  0.37561353  0.62139236
   0.33844505  0.39463085  0.76029005
   0.11520345  0.70566685 -0.00555562
   0.40070878  0.60715620  0.38856593
   0.18098004  1.01707266  0.13811612
   0.36029521  0.89767987  0.27089419
   0.12605462  0.64074545  0.48481965
   0.39248574  0.76808409  0.85792964
   0.11961832  0.94381803  0.60623327
   0.34219017  0.93442090  0.71986871
   0.48141180  0.02257248  0.97177335
   0.83472095  0.18495582  0.37932868
   0.66665824  0.40911376  0.06170271
   0.93404449  0.43449001  0.20015240
   0.56698939  0.21042095  0.40008944
   0.84933414  0.17182869  0.89119214
   0.61474811  0.41113323  0.63077366
   0.80976895  0.43445027  0.75022099
   0.56649008  0.66844314 -0.04330581
   0.78858848  0.57897308  0.41176250
   0.57210691  0.90932028  0.10226631
   0.77152662  0.86057468  0.26121390
   0.64446547  0.64041319  0.52486936
   0.87990656  0.67963850  0.91922580
   0.62944267  0.95251180  0.64353814
   0.89661424  0.88179061  0.78867288
   0.11287850  0.02450133  0.06854159
   0.34402803  0.18330629  0.31199980
   0.12263291  0.26407729  0.09269500
   0.38941925  0.58301048  0.30827522
   0.49749451  0.33759374  0.13864403
   0.23770787  0.41901350  0.17805709
   0.22596451  0.07950352  0.49179934
  -0.13523668  0.12528407  0.42427025
   0.05898683 -0.05578536  0.52705412
   0.29114211  0.32275093  0.82764150
   0.09481329  0.35498690  0.58822614
   0.37318967  0.48638744  0.76559653
   0.44722084  0.40162464  0.67364779
   0.23867734  0.40359843  0.70512723
   0.24708901  0.08789886 -0.11536730
   0.00182085  0.09217099  0.91061357
   0.13693586  0.64668294  0.06104948
   0.31169539  0.82391915  0.32880828
   0.08252534  0.76775884  0.07212876
   0.38309300  0.94470349  0.32463249
   0.46602341  0.91393565  0.17435639
   0.17998679  0.89574619  0.14027701
   0.26472726  0.64539425  0.38503108
   0.00309588  0.62282708  0.44460772
   0.31716758  0.39122563  0.53480252
   0.37795428  0.84249987  0.76102559
   0.10080634  0.71054112  0.48198208
   0.32730259  0.99894391  0.77518592
   0.45784941  0.95846206  0.64837988
   0.23278934  0.93600318  0.64895134
   0.24922572  0.76806893 -0.07128076
  -0.01957119  0.72098884  0.97261641
   0.59994628 -0.03606402  0.01993355
   0.86219397  0.24231984  0.16932303
   0.72997767  0.41524600 -0.05826510
   0.82315392  0.50797080  0.33955793
  -0.02290574  0.42474145  0.10640949
   0.69594802  0.47144138  0.09094338
   0.69362356  0.28238223  0.33434145
   0.47387789  0.14176745  0.45070884
   0.69093750  0.08706989  0.54071287
   0.99197634  0.25133639  0.78838603
   0.58364254  0.37568277  0.54901280
   0.87198972  0.61763025  0.89325298
   1.15062403  0.54905092  0.55024974
   0.71950537  0.43032751  0.70659885
   0.78282062  0.11563143  0.86617249
   0.43602445  0.07785961  0.87497927
   0.50046751  0.59177402  0.00804483
   0.79764905  0.79331897  0.28488200
   0.60109304  0.85950331  0.05754555
   0.80288488  0.94351186  0.31817170
   0.88262014  0.93854426  0.04285068
   0.66384151  0.88534824  0.19174139
   0.80454833  0.62055312  0.39916785
   0.52639707  0.65032757  0.42056397
   0.60527101  0.58198078  0.51649850
   0.87872468  0.80649797  0.83330969
   0.78051560  0.81193365  0.49313028
   0.89936492  0.93974097  0.82882302
   0.98664663  0.90360088  0.68477981
   0.74739864  0.92610179  0.63789968
   0.71247072  0.70288182  0.94257796
   0.47300968  0.72138883  0.91700567
   4.57813214  1.66462395  2.92199824
   1.04903057 -0.69979295  3.03899935
   1.23820720  1.18919679  2.94100604
   1.62449845  3.62268495 -0.06767914
  -5.05014249  0.11436563 -1.78096112
   1.28439302 -1.56212029  2.82096060
  -0.67667271  0.50509216 -0.67443392
   0.63694918 -0.23177232  0.40043346
  -2.49489677 -0.11495784 -1.56173226
   4.97920254  3.22559170 -1.16452590
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    10.954383   -4.104147    1.438874
    -0.000000   22.002351    5.562455
    -0.000000    0.000000   16.009549
   Si   O    H 
    32    64    10
Direct configuration=  3946
   0.18857430  0.20484325 -0.02551768
   0.35597703  0.12291462  0.40363634
   0.21674901  0.45464319  0.02260910
   0.84083722 -0.12518041  0.51386385
   0.16467095 -0.25195205  0.12388170
   0.32748609  0.06031595  0.82520417
   0.21482536  0.37391502  0.62351384
   0.33969324  0.39493539  0.76141377
   0.11572409  0.70575044 -0.00362100
   0.40022319  0.60626881  0.38604305
   0.18070549  1.01679688  0.13833446
   0.35844696  0.89782810  0.27105455
   0.12397472  0.64106852  0.48321355
   0.39309403  0.76892788  0.85697109
   0.12064324  0.94409524  0.60687926
   0.34153490  0.93567458  0.72221002
   0.48322791  0.02200026  0.97144540
   0.83044406  0.18373731  0.38170618
   0.67068086  0.41063026  0.05986395
   0.93634752  0.43517574  0.20000679
   0.56410616  0.20762570  0.39766158
   0.84449688  0.17079001  0.89249489
   0.61490880  0.41009190  0.63367669
   0.81053562  0.43447388  0.75126494
   0.56114985  0.66987801 -0.03323891
   0.75259351  0.55665385  0.42673077
   0.57249993  0.90835755  0.10262367
   0.77357232  0.86268381  0.25965307
   0.64587685  0.64200313  0.52529088
   0.87878416  0.68009531  0.92004808
   0.62728669  0.95161558  0.64530853
   0.89831740  0.88099797  0.79033872
   0.11071375  0.02371489  0.06613376
   0.34527566  0.18486649  0.31273246
   0.12377889  0.26359908  0.09536880
   0.39150086  0.58504996  0.30713956
   0.49794809  0.33666646  0.14022818
   0.23482126  0.41893326  0.18393269
   0.22872581  0.08137869  0.49062923
  -0.13033411  0.12451786  0.42585437
   0.06183125 -0.05516530  0.52778353
   0.28915272  0.32393558  0.82524558
   0.09509369  0.35562121  0.58930283
   0.37418742  0.48422166  0.76617650
   0.44709861  0.40132444  0.67311360
   0.23467302  0.40374529  0.70381468
   0.24524032  0.08698849 -0.11984921
   0.00363153  0.09242041  0.90901193
   0.13574542  0.64535373  0.06051718
   0.31111662  0.82385718  0.32890134
   0.08257495  0.76836363  0.06793028
   0.38798728  0.94473603  0.32404960
   0.46374833  0.91217224  0.17727759
   0.17888568  0.89518085  0.14066968
   0.26163171  0.64669825  0.38308654
  -0.00121696  0.62211792  0.45162324
   0.31757818  0.39213350  0.53773289
   0.38021310  0.84445995  0.75819745
   0.10154998  0.71125431  0.48157465
   0.32747657  0.99812923  0.77380972
   0.45473636  0.95929132  0.64774486
   0.23194151  0.93658486  0.64991445
   0.24656070  0.76819618 -0.07026505
  -0.02095132  0.72162552  0.97301535
   0.59995543 -0.03580649  0.01602085
   0.86448693  0.24288365  0.16929587
   0.73430683  0.41449968 -0.06012975
   0.80822195  0.49995804  0.34262749
  -0.03285084  0.42414345  0.10781343
   0.69018342  0.46979032  0.09657685
   0.69523211  0.28543372  0.33339831
   0.47329761  0.14182732  0.45063350
   0.69032920  0.08572234  0.54342529
   0.99904286  0.25744464  0.78239130
   0.58218960  0.37449063  0.54702911
   0.87311225  0.61935027  0.89305628
   1.15205330  0.54679205  0.55089086
   0.71237632  0.42904012  0.70763524
   0.79136146  0.11830083  0.86195378
   0.43334168  0.07552115  0.87803089
   0.50489937  0.59420094  0.00746071
   0.79847642  0.79659554  0.28237501
   0.60028900  0.86058105  0.05870319
   0.80757256  0.94152237  0.31864209
   0.88109134  0.93906423  0.04226894
   0.66095406  0.88619910  0.19134132
   0.82248144  0.65101437  0.38923365
   0.52401718  0.64797224  0.42083655
   0.60330097  0.57972122  0.51365999
   0.88074179  0.80893683  0.83183826
   0.77708250  0.80900010  0.49257834
   0.89310553  0.93796684  0.83202273
   0.98342731  0.90430477  0.68370014
   0.74808206  0.92623600  0.63470216
   0.71610712  0.70346436  0.94220200
   0.47403156  0.72233875  0.91864709
   4.66406109  1.92542474  3.17871374
   0.90925016 -0.75391488  3.03319372
   1.33215258  1.15193229  2.98649921
   1.63478036  3.67374870 -0.12632025
  -5.07636039  0.06867243 -1.86905160
   1.31400271 -1.63435824  2.94964386
  -0.66124426  0.51270856 -0.64985315
   0.62366540 -0.26591744  0.41374645
  -2.46296094 -0.10715240 -1.58431150
   4.99180253  3.19622035 -1.06214390
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.006572   -4.117374    1.411272
    -0.000000   22.105830    5.596349
    -0.000000    0.000000   16.032273
   Si   O    H 
    32    64    10
Direct configuration=  3947
   0.18734797  0.20665952 -0.02493572
   0.35491909  0.12236135  0.40579493
   0.21957482  0.45797430  0.01802812
   0.84114988 -0.12459147  0.51496042
   0.16615635 -0.25148526  0.12348712
   0.32877441  0.05802740  0.82450805
   0.21588426  0.37217238  0.62585426
   0.34101658  0.39482410  0.76221507
   0.11708244  0.70595505 -0.00219820
   0.40003866  0.60631019  0.38518253
   0.17973505  1.01638906  0.13825216
   0.35655174  0.89793210  0.27115724
   0.12262904  0.64107040  0.48263170
   0.39327127  0.76980485  0.85641391
   0.12159493  0.94387256  0.60798185
   0.34044254  0.93669724  0.72466806
   0.48609666  0.02165419  0.97107889
   0.82530395  0.18302789  0.38381886
   0.67387007  0.41153133  0.05836066
   0.93912138  0.43583167  0.19962310
   0.56244153  0.20556408  0.39466921
   0.84076657  0.17031237  0.89604101
   0.61350998  0.40882537  0.63629734
   0.81358214  0.43458611  0.75376349
   0.55407095  0.67100451 -0.02317342
   0.72061955  0.53606183  0.43964116
   0.57435698  0.90703111  0.10355196
   0.77525604  0.86480634  0.25829789
   0.64455966  0.64050532  0.52685476
   0.87888337  0.68054829  0.92062620
   0.62483773  0.95050084  0.64720538
   0.90002062  0.88037087  0.79168110
   0.11023285  0.02320065  0.06426166
   0.34634078  0.18573230  0.31405743
   0.12560071  0.26402420  0.09657001
   0.39318570  0.58643312  0.30352709
   0.49862915  0.33575229  0.14136646
   0.23171969  0.41962292  0.18912268
   0.23161405  0.08301874  0.48969834
  -0.12477863  0.12345003  0.42699119
   0.06334261 -0.05404228  0.52734990
   0.28810391  0.32543321  0.82315938
   0.09455752  0.35596771  0.59095906
   0.37620069  0.48226072  0.76643367
   0.44617939  0.40133617  0.67190996
   0.23106109  0.40407453  0.70222393
   0.24364267  0.08654063 -0.12383783
   0.00615780  0.09347653  0.90771795
   0.13476933  0.64445647  0.05986033
   0.30976493  0.82379819  0.32910432
   0.08281567  0.76940214  0.06422057
   0.39165896  0.94413326  0.32403018
   0.46178401  0.91027084  0.18024228
   0.17877089  0.89506826  0.14120461
   0.26177916  0.64830119  0.38165180
  -0.00502244  0.62146525  0.45754679
   0.31716988  0.39270409  0.54087191
   0.38205560  0.84608871  0.75584067
   0.10304133  0.71239045  0.48123143
   0.32695265  0.99720561  0.77337721
   0.45384953  0.96070240  0.64625639
   0.23261414  0.93746850  0.65058935
   0.24423806  0.76840197 -0.06898587
  -0.02263332  0.72164663  0.97323870
   0.60045687 -0.03537175  0.01189470
   0.86612369  0.24415888  0.17140883
   0.73818138  0.41381838 -0.06214290
   0.79430095  0.49327740  0.34581073
  -0.04289185  0.42320028  0.10996877
   0.68614312  0.46847121  0.10201653
   0.69745388  0.28745092  0.33268946
   0.47256068  0.14069210  0.45176293
   0.68914319  0.08469541  0.54607121
   1.00646777  0.26354808  0.77604139
   0.58179311  0.37382605  0.54520148
   0.87355132  0.62077813  0.89347768
   1.15326845  0.54477514  0.55196555
   0.70268428  0.42801649  0.70774065
   0.79531474  0.11906447  0.85729217
   0.43179900  0.07240327  0.88213921
   0.51009720  0.59759255  0.00553723
   0.79958090  0.80056216  0.27921012
   0.60042854  0.86179384  0.06011737
   0.81126356  0.93907758  0.31899209
   0.87721089  0.93891689  0.04188406
   0.65635942  0.88443505  0.18986533
   0.83717318  0.67802769  0.38014102
   0.52315811  0.64566051  0.42136610
   0.60395931  0.58080176  0.51085803
   0.88253524  0.81099285  0.83064559
   0.77513375  0.80736890  0.49175994
   0.88716261  0.93601689  0.83525387
   0.98038892  0.90524426  0.68200910
   0.74932115  0.92648071  0.63149036
   0.72067325  0.70514050  0.94178608
   0.47535871  0.72280970  0.92039205
   4.65009407  2.21538019  3.48459265
   0.78142570 -0.79163794  3.00329102
   1.40163858  1.11492666  3.01598858
   1.63171469  3.70621703 -0.19918885
  -5.12041548  0.01714038 -1.93447573
   1.33485005 -1.70954661  3.05240191
  -0.64351000  0.51574418 -0.62927039
   0.57239806 -0.27438972  0.36848889
  -2.43843216 -0.10107300 -1.61522823
   5.06365105  3.16981069 -0.98880154
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.067341   -4.124089    1.372784
    -0.000000   22.203697    5.624014
    -0.000000    0.000000   16.058453
   Si   O    H 
    32    64    10
Direct configuration=  3948
   0.18722239  0.20863193 -0.02491262
   0.35341499  0.12189027  0.40753916
   0.22161872  0.46073639  0.01433392
   0.84104650 -0.12414832  0.51579965
   0.16787011 -0.25114178  0.12310567
   0.32891439  0.05549452  0.82453200
   0.21653409  0.37071038  0.62806190
   0.34206707  0.39524491  0.76266716
   0.11779113  0.70603260 -0.00052762
   0.39963095  0.60654976  0.38489055
   0.17875829  1.01554632  0.13863349
   0.35434788  0.89806047  0.27106169
   0.12199998  0.64111207  0.48209839
   0.39348909  0.77055198  0.85590718
   0.12243929  0.94341014  0.60931746
   0.33925960  0.93753865  0.72739655
   0.48873601  0.02138675  0.97094914
   0.82108556  0.18214621  0.38600137
   0.67704394  0.41250951  0.05655190
   0.94127098  0.43651050  0.19942107
   0.56181047  0.20432710  0.39174144
   0.83794581  0.17035113  0.89946612
   0.61184679  0.40770805  0.63843626
   0.81708223  0.43469852  0.75639566
   0.54739172  0.67205117 -0.01423718
   0.69238828  0.51785765  0.45073700
   0.57596240  0.90583269  0.10470112
   0.77662667  0.86661257  0.25732691
   0.64372563  0.64004021  0.52781084
   0.87837647  0.68098992  0.92124239
   0.62266313  0.94947728  0.64870567
   0.90102860  0.88000607  0.79333255
   0.10883450  0.02277304  0.06212240
   0.34715431  0.18631679  0.31556041
   0.12872641  0.26465636  0.09724764
   0.39383374  0.58685157  0.29980719
   0.50022073  0.33492848  0.14247740
   0.22877789  0.42040128  0.19342386
   0.23364175  0.08441065  0.48910709
  -0.11956588  0.12275972  0.42823790
   0.06463747 -0.05292742  0.52592481
   0.28671142  0.32600424  0.82163065
   0.09315763  0.35652796  0.59236064
   0.37819893  0.48023624  0.76725228
   0.44556357  0.40117923  0.67121880
   0.22747009  0.40482567  0.70098505
   0.24208262  0.08629208 -0.12730971
   0.00802877  0.09445723  0.90648089
   0.13449608  0.64335481  0.05892450
   0.30804200  0.82349458  0.32876415
   0.08245711  0.77085901  0.06079770
   0.39504481  0.94434161  0.32406641
   0.45967621  0.90851522  0.18261446
   0.17875145  0.89525209  0.14174443
   0.26242077  0.64946506  0.37991333
  -0.00884180  0.62084186  0.46235633
   0.31730923  0.39310437  0.54261257
   0.38333577  0.84780159  0.75431036
   0.10405014  0.71298941  0.48183708
   0.32650793  0.99623365  0.77292728
   0.45436359  0.96193177  0.64419102
   0.23330773  0.93798212  0.65146818
   0.24281237  0.76862814 -0.06750686
  -0.02377789  0.72167593  0.97343456
   0.60045344 -0.03475359  0.00835397
   0.86791972  0.24540603  0.17314040
   0.74141007  0.41320509 -0.06341154
   0.78161116  0.48746728  0.34875030
  -0.05229477  0.42204134  0.11205879
   0.68263639  0.46731743  0.10643857
   0.69911955  0.28945827  0.33184015
   0.47048336  0.13856771  0.45360193
   0.68813610  0.08421475  0.54851645
   1.01344941  0.26906086  0.77022862
   0.58163258  0.37339046  0.54436409
   0.87407956  0.62199226  0.89364271
   1.15415563  0.54336229  0.55312190
   0.69385006  0.42761320  0.70804076
   0.79779508  0.11922675  0.85275763
   0.43094909  0.06940967  0.88651965
   0.51531429  0.60024547  0.00351265
   0.80036189  0.80387448  0.27638505
   0.60023652  0.86206840  0.06105738
   0.81401513  0.93640496  0.31923478
   0.87332197  0.93867536  0.04171256
   0.65266383  0.88274195  0.18884327
   0.84934582  0.70222972  0.37169932
   0.52255997  0.64381761  0.42176842
   0.60432778  0.58055426  0.50768560
   0.88472829  0.81232318  0.82927324
   0.77419790  0.80623110  0.49119539
   0.88099113  0.93424322  0.83746985
   0.97750188  0.90599403  0.68078652
   0.74985036  0.92684350  0.62895173
   0.72519234  0.70681699  0.94159855
   0.47720735  0.72352938  0.92176884
   4.52819988  2.47309935  3.85880420
   0.66878766 -0.82672197  2.97477574
   1.46030853  1.07884055  3.04527120
   1.63036664  3.73528142 -0.26601287
  -5.15978652 -0.02885863 -1.99178284
   1.35038290 -1.77748805  3.14460902
  -0.62396968  0.52116786 -0.61301578
   0.51753250 -0.28880837  0.33305202
  -2.41465094 -0.09497283 -1.64304325
   5.11899132  3.14282324 -0.92107777
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.134339   -4.126246    1.325942
    -0.000000   22.299887    5.648256
    -0.000000    0.000000   16.087559
   Si   O    H 
    32    64    10
Direct configuration=  3949
   0.18620654  0.20925840 -0.02472400
   0.35142377  0.12115789  0.40879065
   0.22302590  0.46365504  0.01102553
   0.84100961 -0.12404739  0.51648592
   0.16868736 -0.25069773  0.12299075
   0.32909613  0.05308851  0.82529637
   0.21758856  0.36898724  0.63048459
   0.34292193  0.39575240  0.76272859
   0.11828770  0.70603630  0.00113941
   0.39913050  0.60731927  0.38498625
   0.17658069  1.01443627  0.13898950
   0.35204090  0.89796689  0.27101405
   0.12084277  0.64092285  0.48282392
   0.39298284  0.77113968  0.85651520
   0.12283398  0.94267973  0.61069388
   0.33851953  0.93823903  0.72996560
   0.49287679  0.02135478  0.97216375
   0.81660181  0.18165364  0.38787864
   0.68045841  0.41323488  0.05479032
   0.94366063  0.43724532  0.19961086
   0.56135038  0.20324693  0.38920990
   0.83547087  0.17065223  0.90296605
   0.60911784  0.40627968  0.64025235
   0.82076642  0.43461648  0.75803612
   0.54115971  0.67297752 -0.00666035
   0.66841509  0.50214238  0.45982974
   0.57697471  0.90502771  0.10663847
   0.77804320  0.86874648  0.25645885
   0.64183643  0.63961190  0.52911071
   0.87723019  0.68134260  0.92196777
   0.61980410  0.94844761  0.65010090
   0.90257011  0.88080176  0.79452999
   0.10674990  0.02272330  0.06143291
   0.34709887  0.18641231  0.31679890
   0.13065699  0.26537166  0.09832230
   0.39359660  0.58543625  0.29849255
   0.50016394  0.33375292  0.14440215
   0.22697034  0.42106702  0.19697360
   0.23548589  0.08576988  0.48862412
  -0.11449182  0.12122741  0.42943831
   0.06506997 -0.05211214  0.52505902
   0.28432717  0.32568211  0.82179978
   0.09211335  0.35764044  0.59284336
   0.38101066  0.47854397  0.76723798
   0.44494153  0.40142459  0.66968862
   0.22460382  0.40676815  0.70004741
   0.23960944  0.08548864 -0.13087689
   0.01089923  0.09556134  0.90491134
   0.13352719  0.64295387  0.05799589
   0.30682480  0.82413705  0.32790477
   0.08287405  0.77184560  0.05834252
   0.39903693  0.94454394  0.32408557
   0.45769543  0.90714835  0.18409191
   0.17989512  0.89535008  0.14249913
   0.26489625  0.65020485  0.37807232
  -0.01311190  0.62032765  0.46624205
   0.31768814  0.39344786  0.54450128
   0.38480348  0.84934642  0.75278810
   0.10419217  0.71321876  0.48250121
   0.32629984  0.99555116  0.77378518
   0.45481223  0.96361412  0.64236511
   0.23420139  0.93822035  0.65207935
   0.24172419  0.76926200 -0.06630043
  -0.02491488  0.72180643  0.97340542
   0.59972527 -0.03411612  0.00471071
   0.87131154  0.24705110  0.17463334
   0.74351408  0.41275503 -0.06304692
   0.77060952  0.48216398  0.35218718
  -0.06114598  0.42091409  0.11335871
   0.67927188  0.46601623  0.11053642
   0.70096420  0.29076905  0.33073981
   0.46825974  0.13589695  0.45633975
   0.68646079  0.08367257  0.55128983
   1.01855706  0.27344829  0.76524347
   0.58111427  0.37288644  0.54404144
   0.87439224  0.62330902  0.89388926
   1.15517921  0.54242109  0.55450360
   0.68742376  0.42721265  0.70817747
   0.79803625  0.11858886  0.84816599
   0.43027786  0.06578835  0.88830554
   0.51955906  0.60185905  0.00191276
   0.80036265  0.80672638  0.27374014
   0.60011595  0.86147748  0.06115576
   0.81771046  0.93392291  0.31879368
   0.86848740  0.93889420  0.04050713
   0.64989961  0.88143981  0.18786601
   0.86060792  0.72341493  0.36412398
   0.52396770  0.64385722  0.42076608
   0.60343911  0.57916206  0.50438268
   0.88698360  0.81254531  0.82786463
   0.77364337  0.80636489  0.49130785
   0.87513142  0.93242133  0.83920018
   0.97464625  0.90652934  0.67994473
   0.75040977  0.92739295  0.62674935
   0.72999438  0.70869065  0.94127240
   0.47904012  0.72454003  0.92333752
   4.31404353  2.70962009  4.31652096
   0.57558151 -0.85355829  2.95023882
   1.56835322  1.04483239  3.05286423
   1.62533938  3.75823938 -0.33340067
  -5.20032523 -0.08501216 -2.02540259
   1.38555103 -1.83146584  3.24186213
  -0.59644476  0.55718909 -0.62353646
   0.44256884 -0.33595188  0.32980822
  -2.41755250 -0.09292622 -1.67056166
   5.17578960  3.14474438 -0.90115170
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.204418   -4.123217    1.272651
    -0.000000   22.390610    5.667313
    -0.000000    0.000000   16.117381
   Si   O    H 
    32    64    10
Direct configuration=  3950
   0.18502707  0.20962319 -0.02449731
   0.34910372  0.12025721  0.40970930
   0.22473029  0.46656536  0.00810282
   0.84052897 -0.12412640  0.51689416
   0.16964676 -0.25001214  0.12202352
   0.32891817  0.05074197  0.82623312
   0.21812030  0.36709258  0.63272987
   0.34352061  0.39655534  0.76278069
   0.11849525  0.70613138  0.00269242
   0.39767137  0.60833105  0.38504931
   0.17475854  1.01351162  0.13932380
   0.35012854  0.89772361  0.27119252
   0.12077255  0.64090427  0.48401342
   0.39229651  0.77150990  0.85729319
   0.12249796  0.94204221  0.61203129
   0.33748367  0.93863661  0.73243956
   0.49679563  0.02170520  0.97332093
   0.81327908  0.18100752  0.38949343
   0.68357287  0.41409023  0.05294067
   0.94617681  0.43816142  0.19985782
   0.56105786  0.20273469  0.38674127
   0.83314259  0.17106223  0.90615509
   0.60619369  0.40471168  0.64117777
   0.82437454  0.43476747  0.75967466
   0.53561239  0.67398119 -0.00038724
   0.64707857  0.48816365  0.46748782
   0.57738640  0.90439494  0.10885635
   0.77943343  0.87114315  0.25579141
   0.63999162  0.63968429  0.52996678
   0.87630541  0.68153105  0.92294195
   0.61718346  0.94774453  0.65166142
   0.90331278  0.88174577  0.79630162
   0.10427590  0.02254625  0.06087602
   0.34721237  0.18625293  0.31774101
   0.13347020  0.26622081  0.09909372
   0.39328137  0.58413367  0.29676511
   0.50014655  0.33245191  0.14607034
   0.22559298  0.42177618  0.19937636
   0.23664463  0.08705675  0.48875685
  -0.11032133  0.12052470  0.43002117
   0.06552426 -0.05113281  0.52404624
   0.28243535  0.32517690  0.82244962
   0.09074563  0.35882392  0.59346813
   0.38341410  0.47638282  0.76749707
   0.44538918  0.40147476  0.66834108
   0.22182019  0.40875278  0.69948838
   0.23716359  0.08445368 -0.13391540
   0.01387599  0.09676547  0.90322759
   0.13363914  0.64229052  0.05703753
   0.30562005  0.82440861  0.32682688
   0.08362782  0.77283987  0.05622317
   0.40286076  0.94538322  0.32364782
   0.45584044  0.90597031  0.18514127
   0.18172055  0.89578220  0.14252767
   0.26731098  0.65111697  0.37582637
  -0.01781063  0.61966704  0.46975171
   0.31808056  0.39363927  0.54612447
   0.38543973  0.85058717  0.75221572
   0.10443250  0.71320139  0.48294529
   0.32579617  0.99477912  0.77451250
   0.45589657  0.96515055  0.64042016
   0.23565553  0.93825430  0.65236305
   0.24108269  0.76999377 -0.06493586
  -0.02601815  0.72229470  0.97351496
   0.59893086 -0.03375578  0.00178404
   0.87432788  0.24885847  0.17570783
   0.74483061  0.41204729 -0.06189939
   0.76083151  0.47748102  0.35530677
  -0.06881514  0.41998236  0.11453676
   0.67621389  0.46492882  0.11397363
   0.70181779  0.29103956  0.33013715
   0.46617427  0.13344112  0.45924039
   0.68503813  0.08335554  0.55362451
   1.02363034  0.27726852  0.76070075
   0.58129119  0.37285172  0.54388314
   0.87504240  0.62411663  0.89391512
   1.15525152  0.54123792  0.55626549
   0.68271132  0.42738138  0.70826557
   0.79826810  0.11805611  0.84390336
   0.43093726  0.06268110  0.89043010
   0.52343771  0.60348522  0.00012616
   0.79913638  0.80840252  0.27134701
   0.59946504  0.85954616  0.06119993
   0.82086464  0.93165923  0.31859118
   0.86344293  0.93937488  0.03869929
   0.64816941  0.88049645  0.18748366
   0.87056896  0.74261379  0.35777950
   0.52546158  0.64401638  0.41977531
   0.60237292  0.57757018  0.50097591
   0.88859277  0.81180766  0.82671379
   0.77443334  0.80696369  0.49109696
   0.86994529  0.93078750  0.84055610
   0.97241657  0.90683599  0.67902686
   0.75052171  0.92825191  0.62410929
   0.73452964  0.71005564  0.94124640
   0.48015164  0.72546635  0.92509335
   4.00738640  2.91637457  3.84097040
   0.49188427 -0.87953611  2.92933271
   1.66511192  1.01381625  3.05847587
   1.62237649  3.77917610 -0.39489938
  -5.23076802 -0.13469766 -2.05015019
   1.41280919 -1.87961015  3.33892055
  -0.57069582  0.56699704 -0.62571922
   0.38136750 -0.36759606  0.31824216
  -2.42055431 -0.09020035 -1.69626015
   5.22610104  3.14832981 -0.88599707
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.276618   -4.116061    1.214389
    -0.000000   22.475154    5.681901
    -0.000000    0.000000   16.147345
   Si   O    H 
    32    64    10
Direct configuration=  3951
   0.18371299  0.20998933 -0.02425805
   0.34634051  0.11927669  0.41067349
   0.22616334  0.46900778  0.00587182
   0.83972916 -0.12459748  0.51722073
   0.17039086 -0.24934655  0.12080485
   0.32783711  0.04829921  0.82709324
   0.21817050  0.36524690  0.63506725
   0.34389524  0.39734094  0.76307566
   0.11896885  0.70614033  0.00427394
   0.39615066  0.60943457  0.38629315
   0.17264862  1.01241180  0.13983455
   0.34906571  0.89772321  0.27104962
   0.12122318  0.64105941  0.48518698
   0.39194078  0.77200704  0.85801227
   0.12177203  0.94184596  0.61267936
   0.33663454  0.93870640  0.73479414
   0.50070413  0.02185274  0.97450228
   0.81006399  0.18008442  0.39137801
   0.68607301  0.41496116  0.05108190
   0.94851790  0.43933034  0.20005946
   0.56101650  0.20239669  0.38450176
   0.83079726  0.17112332  0.90871718
   0.60305704  0.40322578  0.64198603
   0.82770136  0.43486023  0.76116432
   0.53061593  0.67486296  0.00532865
   0.62817097  0.47569858  0.47426537
   0.57791340  0.90421976  0.11088823
   0.78075306  0.87326528  0.25554112
   0.63841915  0.63964633  0.53052946
   0.87513948  0.68201654  0.92385722
   0.61519483  0.94715043  0.65281011
   0.90457727  0.88283824  0.79790037
   0.10219631  0.02226994  0.06014702
   0.34785929  0.18596667  0.31932146
   0.13655340  0.26746682  0.09993111
   0.39238035  0.58382286  0.29454846
   0.50008165  0.33147315  0.14754539
   0.22438381  0.42216063  0.20139421
   0.23728996  0.08812542  0.48832791
  -0.10690260  0.12044583  0.43020701
   0.06585630 -0.05020529  0.52282543
   0.28094729  0.32442637  0.82357794
   0.08880234  0.35972694  0.59389071
   0.38538168  0.47417339  0.76833890
   0.44599114  0.40109996  0.66714642
   0.21919214  0.41063749  0.69874401
   0.23687808  0.08383396 -0.13762749
   0.01711971  0.09790783  0.90178268
   0.13375301  0.64146799  0.05639722
   0.30424751  0.82452655  0.32552462
   0.08461316  0.77440035  0.05432926
   0.40594919  0.94628708  0.32367735
   0.45366249  0.90490118  0.18522962
   0.18353102  0.89636682  0.14241583
   0.26967276  0.65151250  0.37443205
  -0.02230324  0.61900501  0.47284188
   0.31836585  0.39394549  0.54688687
   0.38575496  0.85168690  0.75202532
   0.10465465  0.71305787  0.48371304
   0.32555005  0.99387938  0.77562332
   0.45656526  0.96681577  0.63857576
   0.23691716  0.93810581  0.65280354
   0.24090784  0.77070080 -0.06380430
  -0.02732505  0.72263204  0.97373186
   0.59785466 -0.03334842 -0.00024220
   0.87713287  0.25004187  0.17663375
   0.74553371  0.41098645 -0.06008259
   0.75215693  0.47335903  0.35845073
  -0.07515434  0.41944891  0.11510652
   0.67355707  0.46339851  0.11727041
   0.70219120  0.29096006  0.32973803
   0.46530208  0.13116730  0.46191748
   0.68328869  0.08323607  0.55617847
   1.02799365  0.28064086  0.75708904
   0.58206594  0.37252214  0.54362472
   0.87550324  0.62455879  0.89425552
   1.15584141  0.54030204  0.55815159
   0.67944117  0.42796161  0.70842509
   0.79851040  0.11804924  0.84023747
   0.43239470  0.05987566  0.89268645
   0.52727740  0.60524375 -0.00185031
   0.79804484  0.80952134  0.26891501
   0.59902863  0.85759787  0.06062602
   0.82356009  0.92941333  0.31851472
   0.85952226  0.94021060  0.03655621
   0.64809568  0.87982429  0.18772840
   0.88010096  0.76021812  0.35137384
   0.52702220  0.64427989  0.41823932
   0.60226966  0.57563222  0.49821509
   0.88995123  0.81060646  0.82557612
   0.77523344  0.80736379  0.49082842
   0.86554116  0.92957799  0.84143989
   0.97086870  0.90732882  0.67822752
   0.75004901  0.92899040  0.62102539
   0.73898370  0.71108489  0.94161103
   0.48105993  0.72637420  0.92736194
   3.62333131  3.10043262  3.41675488
   0.41779240 -0.90500502  2.90867835
   1.74754250  0.98612211  3.06113174
   1.61805394  3.79697377 -0.44976235
  -5.25664388 -0.17874533 -2.07217656
   1.44466180 -1.92503844  3.41451340
  -0.53317258  0.55726247 -0.62142831
   0.32088053 -0.39498573  0.26672697
  -2.42464035 -0.08764536 -1.72195411
   5.26654642  3.15147155 -0.87659956
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.349297   -4.106632    1.152610
    -0.000000   22.557860    5.694729
    -0.000000    0.000000   16.177296
   Si   O    H 
    32    64    10
Direct configuration=  3952
   0.18266376  0.21047113 -0.02368160
   0.34403104  0.11906121  0.41176630
   0.22779546  0.47140211  0.00353481
   0.83941345 -0.12543204  0.51685469
   0.17173476 -0.24849797  0.11973706
   0.32707906  0.04550131  0.82853227
   0.21877437  0.36349579  0.63676824
   0.34390438  0.39826844  0.76344616
   0.11900492  0.70615769  0.00553449
   0.39674742  0.60942886  0.38738946
   0.17073586  1.01162533  0.14021825
   0.34856847  0.89747955  0.27114878
   0.12109470  0.64094079  0.48667575
   0.39141354  0.77255884  0.85934950
   0.12089319  0.94128889  0.61340300
   0.33624142  0.93868039  0.73648416
   0.50360827  0.02200044  0.97470812
   0.80450964  0.17858366  0.39323632
   0.68901662  0.41634356  0.04915952
   0.95142353  0.44012466  0.20080863
   0.56036558  0.20247538  0.38252237
   0.82737676  0.17056154  0.91104685
   0.59975459  0.40212686  0.64173211
   0.83027604  0.43490068  0.76221516
   0.52631506  0.67564944  0.01029148
   0.61104930  0.46440986  0.48044498
   0.57876425  0.90407433  0.11348816
   0.78276803  0.87569400  0.25503774
   0.63770891  0.63975425  0.53168756
   0.87366689  0.68228924  0.92498919
   0.61253948  0.94626919  0.65388347
   0.90633246  0.88379707  0.79945189
   0.09975837  0.02199596  0.06003106
   0.34938124  0.18626648  0.31927029
   0.13904503  0.26811121  0.10129602
   0.39344224  0.58286896  0.29467752
   0.49944250  0.33059178  0.14912100
   0.22296602  0.42241354  0.20300740
   0.23741247  0.08836408  0.48868789
  -0.10092104  0.12048016  0.43024477
   0.06680256 -0.04945520  0.52204062
   0.28036713  0.32371463  0.82449867
   0.08713310  0.36035793  0.59387322
   0.38765650  0.47203149  0.76887214
   0.44625326  0.40095966  0.66606851
   0.21736415  0.41224310  0.69797199
   0.23787201  0.08254374 -0.14136474
   0.02113085  0.09854147  0.90050044
   0.13406632  0.64037113  0.05606029
   0.30324726  0.82511544  0.32383909
   0.08533669  0.77613696  0.05206136
   0.40933502  0.94703805  0.32366193
   0.45181704  0.90421752  0.18439787
   0.18529452  0.89660835  0.14247188
   0.27220679  0.65184864  0.37216661
  -0.02642756  0.61839358  0.47564868
   0.31857526  0.39434172  0.54723650
   0.38543192  0.85330390  0.75199998
   0.10566573  0.71307240  0.48401574
   0.32570761  0.99305791  0.77751540
   0.45654286  0.96849268  0.63709930
   0.23804516  0.93760141  0.65362505
   0.24100241  0.77176141 -0.06228749
  -0.02812306  0.72351112  0.97339499
   0.59701277 -0.03334355 -0.00252312
   0.88072381  0.25133222  0.17711173
   0.74599241  0.41024778 -0.05801000
   0.74384691  0.47000148  0.36130888
  -0.08153544  0.41866174  0.11560505
   0.67158253  0.46197874  0.11987893
   0.70150570  0.29087681  0.32959898
   0.46747274  0.12983583  0.46331835
   0.68043934  0.08270625  0.55841154
   1.03145707  0.28390282  0.75376547
   0.58214095  0.37219469  0.54345887
   0.87598568  0.62561993  0.89514118
   1.15665325  0.53934779  0.55961663
   0.67807492  0.42864942  0.70858873
   0.79950712  0.11826922  0.83742111
   0.43027956  0.05724475  0.89581318
   0.53079946  0.60780900 -0.00289992
   0.79766588  0.81016798  0.26676147
   0.59954722  0.85667383  0.05987448
   0.82571563  0.92681607  0.31915639
   0.85500066  0.94112858  0.03437349
   0.64830239  0.87977359  0.18829550
   0.88732171  0.77621219  0.34490058
   0.52773250  0.64444708  0.41515734
   0.60424011  0.57405673  0.49688727
   0.89121441  0.81017679  0.82477265
   0.77390645  0.80830979  0.49166825
   0.86075942  0.92812222  0.84218751
   0.96985467  0.90773808  0.67813430
   0.74947409  0.93024181  0.61872157
   0.74408483  0.71198771  0.94213398
   0.48193190  0.72720453  0.92922219
   3.17345427  3.27121777  3.05775971
   0.39013321 -0.91285264  2.88682288
   1.82661873  0.95035440  3.07860350
   1.64802648  3.81484580 -0.50812578
  -5.29032818 -0.22948194 -2.08655917
   1.50168347 -2.00161125  3.48439258
  -0.56382978  0.58024099 -0.64656646
   0.22890744 -0.41619956  0.19651501
  -2.40777783 -0.08441472 -1.73717514
   5.29515366  3.14914476 -0.86815433
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.422604   -4.095720    1.088372
    -0.000000   22.639250    5.705287
    -0.000000    0.000000   16.207355
   Si   O    H 
    32    64    10
Direct configuration=  3953
   0.18131049  0.21107608 -0.02297582
   0.34271285  0.11943227  0.41248489
   0.22946932  0.47375665  0.00162644
   0.83821784 -0.12740732  0.51584553
   0.17303876 -0.24774620  0.11873634
   0.32736592  0.04304381  0.83099229
   0.22026187  0.36223395  0.63779819
   0.34337328  0.39897386  0.76399443
   0.11842876  0.70655488  0.00666816
   0.39443598  0.61199690  0.38946539
   0.16935231  1.01120749  0.14026961
   0.34840171  0.89735661  0.27126392
   0.12110030  0.64082931  0.48829608
   0.39013531  0.77305985  0.86132660
   0.12029607  0.94082957  0.61347281
   0.33634645  0.93848774  0.73724699
   0.50635914  0.02244559  0.97466606
   0.80015617  0.17705440  0.39480636
   0.69213696  0.41804118  0.04775643
   0.95447395  0.44101860  0.20132681
   0.55982708  0.20249542  0.38120603
   0.82426319  0.16993038  0.91252688
   0.59570743  0.40118755  0.64080024
   0.83278693  0.43508195  0.76325760
   0.52196285  0.67556309  0.01506577
   0.59567562  0.45451445  0.48570974
   0.57973158  0.90436304  0.11519295
   0.78457614  0.87804777  0.25479963
   0.63583669  0.63963107  0.53277140
   0.87189435  0.68234212  0.92653670
   0.60882017  0.94541371  0.65465847
   0.90853598  0.88477123  0.80099992
   0.09635265  0.02165200  0.06026936
   0.35059076  0.18580666  0.31881793
   0.13896109  0.26920834  0.10489134
   0.39640748  0.58207946  0.29378586
   0.49976295  0.32993732  0.15080925
   0.22112390  0.42285680  0.20455751
   0.23652387  0.08824785  0.48976996
  -0.09723571  0.12097561  0.43016556
   0.06759653 -0.04886895  0.52132545
   0.27974656  0.32301308  0.82632514
   0.08582809  0.36110276  0.59367707
   0.38972049  0.47009156  0.76906515
   0.44598957  0.40067030  0.66443037
   0.21535231  0.41335817  0.69668454
   0.24068554  0.08155134 -0.14532102
   0.02443322  0.09969071  0.89978102
   0.13415394  0.63940678  0.05576436
   0.30211684  0.82552350  0.32168433
   0.08562664  0.77796305  0.05029270
   0.41260651  0.94744256  0.32320162
   0.44881868  0.90331750  0.18313601
   0.18808524  0.89693198  0.14316696
   0.27837424  0.65117487  0.37043810
  -0.02996128  0.61788266  0.47830105
   0.31784928  0.39482309  0.54868746
   0.38511379  0.85520268  0.75157931
   0.10659283  0.71265013  0.48512970
   0.32706529  0.99294246  0.77923820
   0.45613486  0.96999927  0.63552458
   0.23895282  0.93709083  0.65505310
   0.24043727  0.77315175 -0.06080282
  -0.02849950  0.72466404  0.97226139
   0.59478259 -0.03436911 -0.00413090
   0.88515223  0.25311728  0.17714901
   0.74650958  0.40974375 -0.05561395
   0.73688938  0.46670811  0.36445099
  -0.08821217  0.41750632  0.11616489
   0.67013598  0.46065303  0.12183337
   0.70060496  0.28978825  0.32993340
   0.46835208  0.12838468  0.46483451
   0.67874493  0.08226233  0.56062075
   1.03364066  0.28697640  0.75060647
   0.58175347  0.37179012  0.54364467
   0.87594719  0.62652326  0.89622214
   1.15942842  0.53913882  0.55971986
   0.67726361  0.42930068  0.70882695
   0.80050787  0.11874555  0.83626629
   0.42479852  0.05353482  0.89732183
   0.53437118  0.61134284 -0.00433080
   0.79922729  0.81027150  0.26537061
   0.60007903  0.85631448  0.05920455
   0.82699571  0.92391883  0.32060684
   0.85068124  0.94138465  0.03147020
   0.64798664  0.87912095  0.18964097
   0.89217584  0.79125716  0.33796633
   0.52462446  0.64552767  0.41112618
   0.61096449  0.57250525  0.49857276
   0.89183329  0.81023497  0.82437253
   0.76976476  0.81086419  0.49359585
   0.85623627  0.92635660  0.84312166
   0.96865170  0.90801496  0.67855290
   0.74847544  0.93186289  0.61686633
   0.74969770  0.71336032  0.94163315
   0.48192509  0.72746084  0.93182067
   2.67637419  3.41406229  2.69831172
   0.40935059 -0.91523712  2.86396244
   1.86697614  0.91672000  3.10653800
   1.75066274  3.83655710 -0.57742137
  -5.27531638 -0.26131267 -2.11368255
   1.55365051 -2.07417722  3.55607481
  -0.59836523  0.55093651 -0.69371205
   0.14153856 -0.44164772  0.13349689
  -2.37549432 -0.08123285 -1.73818726
   5.31918075  3.14222192 -0.85666262
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.496271   -4.082565    1.021241
    -0.000000   22.718802    5.714651
    -0.000000    0.000000   16.236317
   Si   O    H 
    32    64    10
Direct configuration=  3954
   0.18049013  0.21194637 -0.02258749
   0.34277288  0.12023983  0.41333395
   0.23132989  0.47602686 -0.00005512
   0.83798968 -0.12892292  0.51507609
   0.17447846 -0.24713422  0.11766195
   0.32746055  0.04005332  0.83344038
   0.22277981  0.36152955  0.63809367
   0.34290976  0.39967784  0.76451306
   0.11750524  0.70703760  0.00828950
   0.39188499  0.61571525  0.39144928
   0.16857823  1.01098258  0.14009131
   0.34892262  0.89715596  0.27164454
   0.12095290  0.64058392  0.49010258
   0.38833534  0.77349105  0.86361433
   0.12067660  0.94037882  0.61384158
   0.33611159  0.93797135  0.73780490
   0.50911936  0.02272022  0.97458994
   0.79616442  0.17521265  0.39647458
   0.69562608  0.41981680  0.04663761
   0.95841616  0.44225744  0.20197057
   0.55953931  0.20220222  0.38030852
   0.82160700  0.16924600  0.91371730
   0.58539281  0.39983847  0.63581493
   0.83670585  0.43535404  0.76413454
   0.51674614  0.67496306  0.01969679
   0.58325417  0.44621707  0.49029309
   0.58128222  0.90459958  0.11674333
   0.78528480  0.88041797  0.25416228
   0.63416073  0.63955753  0.53395419
   0.87012490  0.68235358  0.92750914
   0.60573029  0.94504055  0.65444320
   0.91091766  0.88549403  0.80240408
   0.09234619  0.02082614  0.06034454
   0.35215150  0.18462599  0.31907803
   0.13849795  0.27004043  0.10881251
   0.39841691  0.58461063  0.29423470
   0.49955192  0.32946922  0.15182067
   0.21871286  0.42314024  0.20527468
   0.23550339  0.08814234  0.49079261
  -0.09624307  0.12217301  0.43050928
   0.06744213 -0.04850990  0.52116712
   0.28030401  0.32284003  0.82801697
   0.08485573  0.36223905  0.59372646
   0.39307883  0.46849239  0.76850857
   0.44777495  0.40017308  0.66220122
   0.21390570  0.41425221  0.69553266
   0.24266951  0.08007552 -0.14890418
   0.02709966  0.10068807  0.89947972
   0.13487681  0.63830549  0.05559259
   0.30093085  0.82596649  0.31940220
   0.08510895  0.77940019  0.04825715
   0.41683205  0.94770720  0.32301703
   0.44636838  0.90195607  0.18145235
   0.19089793  0.89755750  0.14388048
   0.28525735  0.65046519  0.36888608
  -0.03412745  0.61721440  0.48045702
   0.31717206  0.39494419  0.55081364
   0.38353287  0.85743708  0.75185935
   0.10752726  0.71175550  0.48591060
   0.32889676  0.99352880  0.78158474
   0.45623319  0.97046826  0.63543619
   0.23943564  0.93637911  0.65625389
   0.23891578  0.77471438 -0.05919883
  -0.02834314  0.72553329  0.97156785
   0.59265425 -0.03559743 -0.00520719
   0.89055146  0.25516389  0.17685753
   0.74567630  0.40917842 -0.05126472
   0.73004625  0.46368648  0.36751994
  -0.09531585  0.41613583  0.11667537
   0.66952212  0.45977714  0.12315945
   0.70043274  0.28788687  0.33004023
   0.46822426  0.12739263  0.46557706
   0.67887283  0.08179778  0.56247038
   1.03472231  0.28997499  0.74805140
   0.57999337  0.37098987  0.54551170
   0.87592959  0.62765795  0.89738418
   1.16241275  0.53884969  0.56002400
   0.67326195  0.43235775  0.70984675
   0.80262721  0.11952855  0.83602414
   0.41408425  0.04735814  0.89759769
   0.53603640  0.61446544 -0.00444881
   0.80165063  0.81025634  0.26548460
   0.60176577  0.85612955  0.05881460
   0.82746219  0.92112400  0.32383495
   0.84686544  0.94117164  0.03172990
   0.64662250  0.87867314  0.19101758
   0.89550244  0.80537905  0.33169554
   0.52174558  0.64769535  0.40737892
   0.61808417  0.57098549  0.50116061
   0.89312675  0.81012966  0.82417332
   0.76527676  0.81459412  0.49419395
   0.85189528  0.92482934  0.84423049
   0.96684401  0.90827105  0.67820756
   0.74848906  0.93372895  0.61622217
   0.75643871  0.71590678  0.93972347
   0.48166454  0.72774644  0.93463740
   2.25762777  3.51400347  2.43051071
   0.53341590 -0.87255615  2.82996579
   1.87328678  0.88568924  3.09318494
   1.84980193  3.83643528 -0.67028111
  -5.20314830 -0.28797845 -2.13930701
   1.58103229 -2.13886872  3.59533407
  -0.62571133  0.44761743 -0.77594913
   0.03112947 -0.47266361  0.07751620
  -2.31746265 -0.08289876 -1.73997292
   5.34125193  3.12922634 -0.85935565
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.570517   -4.068507    0.952139
    -0.000000   22.796604    5.724264
    -0.000000    0.000000   16.264553
   Si   O    H 
    32    64    10
Direct configuration=  3955
   0.17943235  0.21237860 -0.02178989
   0.34349492  0.12138628  0.41432711
   0.23330690  0.47818605 -0.00144626
   0.83858635 -0.13016108  0.51459880
   0.17598050 -0.24654805  0.11602118
   0.32640131  0.03698252  0.83609869
   0.22610649  0.36118052  0.63815174
   0.34181416  0.40025138  0.76462265
   0.11697750  0.70806275  0.01028777
   0.38925866  0.61915068  0.39335584
   0.16782707  1.01070988  0.13922769
   0.35013092  0.89721258  0.27186066
   0.12107464  0.64039542  0.49199695
   0.38616141  0.77390071  0.86606969
   0.12092435  0.93994075  0.61427033
   0.33584687  0.93733244  0.73817030
   0.51113041  0.02249917  0.97450899
   0.79261061  0.17351124  0.39769838
   0.69924068  0.42124225  0.04579895
   0.96162072  0.44249455  0.20416655
   0.55981313  0.20212326  0.37940667
   0.81982777  0.16900033  0.91420044
   0.57604872  0.39885211  0.63039342
   0.84009556  0.43547911  0.76467479
   0.51233827  0.67441138  0.02317808
   0.57201689  0.43842663  0.49474569
   0.58255736  0.90521821  0.11769586
   0.78488094  0.88358803  0.25390662
   0.63256298  0.63931794  0.53484029
   0.86930052  0.68226114  0.92870867
   0.60160428  0.94548586  0.65448221
   0.91343300  0.88599571  0.80373337
   0.08815264  0.01939709  0.05970543
   0.35423059  0.18318266  0.31998118
   0.13818815  0.27075605  0.11325766
   0.40114032  0.58773667  0.29486806
   0.49830912  0.32845276  0.15239008
   0.21679122  0.42274541  0.20651709
   0.23376664  0.08755422  0.49216601
  -0.09800643  0.12361263  0.43089269
   0.06726206 -0.04842796  0.52117843
   0.28120306  0.32282632  0.82849716
   0.08419999  0.36355752  0.59322468
   0.39750600  0.46740267  0.76781920
   0.44785091  0.39980706  0.65961583
   0.21212139  0.41428231  0.69495147
   0.24392814  0.07890006 -0.15104430
   0.03041147  0.10127212  0.89969041
   0.13550742  0.63791727  0.05418301
   0.30000080  0.82635947  0.31772368
   0.08456951  0.78048213  0.04571099
   0.42129273  0.94791038  0.32231208
   0.44484355  0.90091798  0.17942645
   0.19406189  0.89858815  0.14444135
   0.29289069  0.65063252  0.36677591
  -0.03803447  0.61649209  0.48159527
   0.31620479  0.39496082  0.55291515
   0.38059571  0.85995310  0.75201216
   0.10730700  0.71029127  0.48709413
   0.33156998  0.99367650  0.78380997
   0.45780288  0.97052037  0.63631073
   0.23850194  0.93517183  0.65771985
   0.23693569  0.77615170 -0.05733786
  -0.02837102  0.72617621  0.97052840
   0.58983524 -0.03677741 -0.00582818
   0.89715777  0.25759677  0.17608855
   0.74671765  0.40930487 -0.04724942
   0.72359338  0.46107942  0.37135324
  -0.10291852  0.41480407  0.11704404
   0.66888920  0.45922567  0.12349229
   0.70103546  0.28574128  0.32997434
   0.46737019  0.12635177  0.46594873
   0.68013620  0.08109053  0.56426352
   1.03571580  0.29280145  0.74583467
   0.57801778  0.37010971  0.54789792
   0.87575735  0.63013366  0.89785631
   1.16598318  0.53948385  0.55976889
   0.66983993  0.43576768  0.71059092
   0.80391227  0.12009477  0.83673485
   0.40571791  0.04225454  0.89694981
   0.53649640  0.61738626 -0.00387501
   0.80197406  0.80905640  0.26675029
   0.60422916  0.85637903  0.05903772
   0.82745978  0.91785891  0.32628902
   0.84383926  0.93994424  0.03344086
   0.64543340  0.87862430  0.19194219
   0.90285001  0.81698660  0.32790332
   0.51864711  0.64993693  0.40362513
   0.62539307  0.56948119  0.50410623
   0.89427156  0.80819158  0.82636111
   0.75971192  0.81694427  0.49519366
   0.84813890  0.92386227  0.84483941
   0.96622446  0.90868346  0.67730159
   0.74867549  0.93555316  0.61543908
   0.76509233  0.71851927  0.93596697
   0.48238194  0.72825710  0.93684681
   1.78558430  3.59167126  2.20406471
   0.61556578 -0.84414469  2.81202242
   1.86075116  0.88322270  3.03582522
   1.84991394  3.87265198 -0.78084231
  -5.15148288 -0.30036246 -2.14332924
   1.61334747 -2.21507074  3.61948921
  -0.68152795  0.35328408 -0.85835822
  -0.03295070 -0.46407678 -0.00273372
  -2.21271502 -0.11159101 -1.76093149
   5.36327813  3.11555060 -0.87726133
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.645141   -4.049112    0.875977
    -0.000000   22.873857    5.711561
    -0.000000    0.000000   16.314036
   Si   O    H 
    32    64    10
Direct configuration=  3956
   0.17821809  0.21294856 -0.02121185
   0.34392233  0.12242491  0.41458064
   0.23527436  0.47988658 -0.00265805
   0.83925745 -0.13050647  0.51420106
   0.17716400 -0.24601019  0.11466011
   0.32371921  0.03425391  0.83823614
   0.22875937  0.36068359  0.63851852
   0.34071465  0.40082594  0.76491966
   0.11690143  0.70899330  0.01207872
   0.38719139  0.62216653  0.39453364
   0.16708799  1.01037841  0.13840029
   0.35136925  0.89737112  0.27181585
   0.12095505  0.64021016  0.49362576
   0.38466477  0.77441993  0.86806720
   0.12092738  0.93992013  0.61446909
   0.33577890  0.93659144  0.73885945
   0.51311525  0.02225658  0.97409810
   0.78972555  0.17168585  0.39886580
   0.70303694  0.42248211  0.04541848
   0.96458222  0.44260965  0.20607647
   0.55981620  0.20179609  0.37851257
   0.81781364  0.16880013  0.91434804
   0.56771030  0.39766133  0.62576020
   0.84282858  0.43569195  0.76515449
   0.50865921  0.67386930  0.02632962
   0.56265814  0.43184877  0.49784243
   0.58321659  0.90596473  0.11840895
   0.76901758  0.85838272  0.34091904
   0.63124477  0.63890713  0.53570312
   0.86910870  0.68227212  0.93086266
   0.59756401  0.94563467  0.65482743
   0.91569349  0.88608784  0.80554395
   0.08525614  0.01797045  0.05912866
   0.35633965  0.18222049  0.32113925
   0.13762838  0.27142275  0.11731956
   0.40374265  0.59024372  0.29570276
   0.49736371  0.32734802  0.15297221
   0.21467600  0.42217227  0.20760366
   0.23168222  0.08696146  0.49402376
  -0.09980795  0.12516255  0.43049583
   0.06705956 -0.04847542  0.52119544
   0.28182183  0.32270329  0.82861197
   0.08387705  0.36419342  0.59295575
   0.40182011  0.46667808  0.76741519
   0.44805515  0.39965658  0.65797956
   0.21119189  0.41444268  0.69415682
   0.24533940  0.07801198 -0.15299360
   0.03312823  0.10181840  0.89964932
   0.13518723  0.63730781  0.05263996
   0.29901393  0.82621733  0.31685630
   0.08357715  0.78113762  0.04445447
   0.42528925  0.94816639  0.32161262
   0.44377990  0.89988394  0.17732895
   0.19732940  0.89979474  0.14430505
   0.29913042  0.65089556  0.36549472
  -0.04098257  0.61588696  0.48260296
   0.31549372  0.39505129  0.55395320
   0.37737242  0.86260886  0.75262439
   0.10770606  0.70864401  0.48877472
   0.33459297  0.99310085  0.78519388
   0.45933957  0.97066211  0.63680794
   0.23784304  0.93355718  0.65919012
   0.23563437  0.77766943 -0.05542405
  -0.02766088  0.72713848  0.96986712
   0.58745118 -0.03755811 -0.00656673
   0.90304347  0.25944823  0.17590310
   0.74786505  0.40906386 -0.04324779
   0.71740378  0.45860560  0.37448849
  -0.10977514  0.41361543  0.11813985
   0.66791467  0.45858673  0.12372062
   0.70162272  0.28326901  0.33035449
   0.46663075  0.12546505  0.46678620
   0.68128151  0.08044561  0.56584990
   1.03669405  0.29521237  0.74406398
   0.57657199  0.36869520  0.54942327
   0.87562238  0.63153191  0.89827444
   1.16968458  0.54029981  0.55938530
   0.66740169  0.43884238  0.71084041
   0.80546061  0.12093173  0.83788459
   0.40006449  0.03774062  0.89801283
   0.53582442  0.61991111 -0.00302459
   0.80126235  0.80830705  0.26677696
   0.60625982  0.85677468  0.05865829
   0.82831574  0.91520443  0.32895167
   0.84148147  0.93827024  0.03473957
   0.64442733  0.87852022  0.19294015
   0.90962131  0.82759522  0.32488173
   0.51653893  0.65241420  0.40051887
   0.63172396  0.56859651  0.50712182
   0.89476265  0.80696298  0.82818980
   0.75343717  0.81812104  0.49625675
   0.84554419  0.92302638  0.84542297
   0.96625509  0.90895949  0.67671262
   0.74823059  0.93716099  0.61452462
   0.77312583  0.72107945  0.93283959
   0.48290260  0.72851867  0.93900945
   2.25573905  3.65959245  2.00361511
   0.69122959 -0.81929983  2.79787761
   1.84625774  0.89100415  2.98411576
   1.89007146  3.89435390 -0.90196871
  -5.11277224 -0.30746481 -2.17000879
   1.64257591 -2.28396257  3.64160988
  -0.73385974  0.26881242 -0.93086214
  -0.08763408 -0.45617236 -0.07320940
  -1.72382112 -0.35324625 -2.19836638
   5.38279307  3.10230297 -0.89311224
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.722542   -4.016538    0.784349
    -0.000000   22.967038    5.625783
    -0.000000    0.000000   16.439939
   Si   O    H 
    32    64    10
Direct configuration=  3957
   0.17668870  0.21355249 -0.02050138
   0.34491301  0.12346347  0.41495589
   0.23674511  0.48139194 -0.00330961
   0.84008221 -0.13068702  0.51393842
   0.17780327 -0.24567380  0.11367878
   0.31928623  0.03222339  0.83947312
   0.23080130  0.36039473  0.63900422
   0.33961504  0.40101024  0.76539058
   0.11712121  0.70997372  0.01338978
   0.38528847  0.62444488  0.39553822
   0.16631439  1.01004031  0.13790902
   0.35234401  0.89773031  0.27135156
   0.12070640  0.64021724  0.49552262
   0.38384764  0.77480209  0.87014995
   0.12087454  0.93978519  0.61475035
   0.33620197  0.93575862  0.73964090
   0.51521364  0.02200906  0.97367709
   0.78733195  0.17001504  0.40019655
   0.70664908  0.42397330  0.04496112
   0.96666608  0.44265157  0.20769636
   0.56073479  0.20171419  0.37749656
   0.81610864  0.16857902  0.91412033
   0.56083201  0.39649694  0.62241702
   0.84484482  0.43586146  0.76563154
   0.50498367  0.67306547  0.02912652
   0.55414857  0.42595063  0.49983894
   0.58280710  0.90644412  0.11899244
   0.75383200  0.83398556  0.41850368
   0.62970868  0.63826438  0.53666284
   0.86808344  0.68293578  0.93272587
   0.59382910  0.94584269  0.65545185
   0.91757207  0.88592211  0.80705734
   0.08286991  0.01657496  0.05880338
   0.35818615  0.18144484  0.32295036
   0.13756409  0.27226770  0.12030947
   0.40580335  0.59244523  0.29638596
   0.49660684  0.32638444  0.15355206
   0.21258754  0.42167832  0.20845038
   0.22949343  0.08631500  0.49589087
  -0.10102331  0.12660631  0.42964465
   0.06651825 -0.04821316  0.52138598
   0.28241985  0.32273853  0.82860386
   0.08435513  0.36504551  0.59233598
   0.40612476  0.46643518  0.76715427
   0.44744760  0.39953198  0.65674549
   0.21086101  0.41466911  0.69376545
   0.24706242  0.07721270 -0.15481776
   0.03533060  0.10263557  0.89929648
   0.13509725  0.63710449  0.05109976
   0.29807361  0.82566523  0.31574973
   0.08300133  0.78139348  0.04372047
   0.42928005  0.94859645  0.32044525
   0.44232710  0.89899763  0.17497579
   0.20018165  0.90083193  0.14428249
   0.30268489  0.65138008  0.36439690
  -0.04345083  0.61484132  0.48327896
   0.31493115  0.39544875  0.55397671
   0.37422362  0.86488108  0.75367207
   0.10820973  0.70705031  0.48988882
   0.33805043  0.99167691  0.78523412
   0.46132971  0.97098613  0.63709872
   0.23789932  0.93218643  0.66005221
   0.23449849  0.77867537 -0.05352065
  -0.02688206  0.72806012  0.96943202
   0.58500664 -0.03804534 -0.00694386
   0.90783395  0.26129280  0.17557832
   0.74856726  0.40855861 -0.03940393
   0.71160590  0.45583176  0.37793016
  -0.11584108  0.41277750  0.11958127
   0.66772103  0.45797304  0.12338449
   0.70219264  0.28080471  0.33123326
   0.46520026  0.12487921  0.46743344
   0.68293390  0.07984657  0.56711826
   1.03803261  0.29758984  0.74252943
   0.57567630  0.36660476  0.55047699
   0.87616981  0.63203639  0.89811615
   1.17308442  0.54127878  0.55864759
   0.66556213  0.44150586  0.71145308
   0.80642029  0.12202220  0.83904848
   0.39808600  0.03395119  0.90101942
   0.53572692  0.62221607 -0.00238005
   0.79957781  0.80735009  0.26637399
   0.60787078  0.85691279  0.05858748
   0.83254725  0.91687360  0.33015489
   0.83976639  0.93647484  0.03668357
   0.64364433  0.87821719  0.19410884
   0.91644485  0.83752986  0.32292367
   0.51499011  0.65477253  0.39840198
   0.63746713  0.56823526  0.50970924
   0.89679191  0.80638005  0.82917682
   0.74669211  0.81858675  0.49665139
   0.84376199  0.92265222  0.84569872
   0.96654821  0.90887570  0.67679126
   0.74679893  0.93833912  0.61391838
   0.78088896  0.72323926  0.93021481
   0.48282409  0.72889306  0.94103956
   2.67129458  3.71720832  1.82876811
   0.76371903 -0.79704261  2.78692740
   1.83226830  0.90290036  2.94187641
   1.92032480  3.91643889 -1.01886382
  -5.07807620 -0.31298630 -2.19268445
   1.67048938 -2.34602209  3.66190878
  -0.78648952  0.18847650 -0.99642771
  -0.13873534 -0.44891971 -0.13739021
  -1.31624503 -0.68366672 -2.36816735
   5.39743863  3.09016475 -0.90848994
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.799881   -3.975672    0.681894
    -0.000000   23.069798    5.484481
    -0.000000    0.000000   16.624714
   Si   O    H 
    32    64    10
Direct configuration=  3958
   0.17232628  0.21596224 -0.02166982
   0.34568581  0.12469772  0.41507667
   0.23805287  0.48286034 -0.00390035
   0.84161539 -0.13000600  0.51394985
   0.17847975 -0.24560030  0.11334864
   0.31329149  0.03077539  0.83943342
   0.23199878  0.35998628  0.63984607
   0.33796932  0.40091297  0.76585884
   0.11710821  0.71076840  0.01425504
   0.38467412  0.62560808  0.39673476
   0.16498046  1.00980913  0.13750055
   0.35303457  0.89833827  0.27079483
   0.12050814  0.64040845  0.49686166
   0.38331382  0.77516290  0.87186158
   0.12055324  0.93976766  0.61509463
   0.33699328  0.93490774  0.74065814
   0.51744795  0.02168682  0.97353991
   0.78562753  0.16839101  0.40136874
   0.70940356  0.42517553  0.04470681
   0.96873217  0.44291898  0.20880742
   0.56185760  0.20196540  0.37625144
   0.81467428  0.16848321  0.91360668
   0.55503343  0.39520888  0.62011717
   0.84674847  0.43623399  0.76614610
   0.50165152  0.67209146  0.03134571
   0.54681404  0.42088852  0.50112140
   0.58195700  0.90641279  0.11969170
   0.74157278  0.81345818  0.48251708
   0.62807617  0.63739397  0.53727283
   0.86714568  0.68419738  0.93432116
   0.59070711  0.94603626  0.65610446
   0.91863262  0.88557113  0.80869348
   0.08077229  0.01513282  0.05858926
   0.36010975  0.18122239  0.32453713
   0.13782939  0.27304713  0.12275231
   0.40725249  0.59420384  0.29697940
   0.49592293  0.32531714  0.15448688
   0.21097645  0.42114518  0.20899262
   0.22703104  0.08568661  0.49754515
  -0.10238258  0.12841548  0.42815743
   0.06587223 -0.04807707  0.52154410
   0.28336823  0.32325869  0.82838978
   0.08531948  0.36603137  0.59195848
   0.40995597  0.46637485  0.76719513
   0.44558663  0.39932753  0.65603245
   0.21105056  0.41478809  0.69405585
   0.24891838  0.07650516 -0.15644778
   0.03734004  0.10361592  0.89892821
   0.13540145  0.63717221  0.04977909
   0.29759726  0.82516396  0.31428289
   0.08259518  0.78133878  0.04290014
   0.43316679  0.94971173  0.31930874
   0.44131748  0.89848967  0.17300062
   0.20250600  0.90161229  0.14455379
   0.30424565  0.65282780  0.36285319
  -0.04514394  0.61362366  0.48383030
   0.31508543  0.39609544  0.55320305
   0.37059221  0.86730998  0.75463594
   0.10918546  0.70528473  0.49112524
   0.34112939  0.99009281  0.78496641
   0.46267629  0.97122471  0.63795368
   0.23807698  0.93082600  0.66095668
   0.23398814  0.77947826 -0.05220748
  -0.02567716  0.72896301  0.96874478
   0.58186171 -0.03840647 -0.00760611
   0.91227114  0.26298887  0.17516879
   0.74973090  0.40801102 -0.03556829
   0.70628153  0.45328675  0.38041647
  -0.12067781  0.41218735  0.12126708
   0.66659249  0.45721845  0.12272742
   0.70248074  0.27844823  0.33241942
   0.46446934  0.12450334  0.46815109
   0.68408676  0.07956887  0.56739265
   1.03840224  0.29986325  0.74134794
   0.57545202  0.36395270  0.55064670
   0.87621208  0.63134028  0.89771461
   1.17604045  0.54221954  0.55793750
   0.66454502  0.44431801  0.71173776
   0.80670584  0.12305978  0.83992854
   0.39815772  0.03058789  0.90554659
   0.53568627  0.62389638 -0.00113654
   0.79736801  0.80594171  0.26584739
   0.60910766  0.85698465  0.05877303
   0.83612533  0.91859317  0.33084428
   0.83878094  0.93488806  0.03739351
   0.64359328  0.87780568  0.19561420
   0.92295320  0.84674551  0.32140407
   0.51460132  0.65703867  0.39709631
   0.64251404  0.56841736  0.51181540
   0.89852825  0.80623259  0.82932840
   0.73791961  0.81641780  0.50388072
   0.84225990  0.92262362  0.84593872
   0.96801204  0.90906954  0.67680593
   0.74515904  0.93935758  0.61315464
   0.78811399  0.72548130  0.92777994
   0.48203222  0.72934402  0.94257072
   3.04188678  3.76659341  1.67789924
   0.83213679 -0.77889718  2.78091074
   1.82804064  0.91507622  2.90667353
   1.93428695  3.93400992 -1.11852882
  -5.04960833 -0.31834759 -2.21055971
   1.69298748 -2.40250517  3.67616282
  -0.75619601  0.06626857 -1.00720336
  -0.18507781 -0.44224030 -0.19386992
  -0.98350662 -1.09699382 -2.28009796
   5.41098320  3.07816356 -0.92182454
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.875243   -3.930377    0.568889
    -0.000000   23.176662    5.308856
    -0.000000    0.000000   16.859427
   Si   O    H 
    32    64    10
Direct configuration=  3959
   0.16829559  0.21826763 -0.02268126
   0.34606301  0.12587343  0.41518031
   0.23942782  0.48431742 -0.00444361
   0.84500967 -0.12775501  0.51404754
   0.17911686 -0.24555928  0.11291506
   0.30749244  0.02952511  0.83892908
   0.23243477  0.35977511  0.64064178
   0.33585544  0.40074347  0.76655615
   0.11654474  0.71136540  0.01458583
   0.38470247  0.62572279  0.39814379
   0.16338664  1.00951327  0.13713552
   0.35398549  0.89871661  0.27057830
   0.12069950  0.64067033  0.49832997
   0.38266751  0.77521481  0.87368430
   0.12017328  0.93971324  0.61525404
   0.33821964  0.93413502  0.74173778
   0.51957391  0.02148725  0.97318510
   0.78447831  0.16649633  0.40216928
   0.71190710  0.42640514  0.04478014
   0.97016428  0.44332864  0.20965775
   0.56320126  0.20224783  0.37517257
   0.81408696  0.16834553  0.91282384
   0.55038986  0.39381518  0.61858574
   0.84811879  0.43655907  0.76662777
   0.49883535  0.67152446  0.03301277
   0.54057217  0.41690763  0.50153641
   0.58069875  0.90610669  0.12028436
   0.75785998  0.77259065  0.37679643
   0.62683686  0.63607804  0.53780162
   0.86589469  0.68497010  0.93572211
   0.58811841  0.94589283  0.65679914
   0.91953810  0.88476327  0.81081719
   0.07820674  0.01349526  0.05853810
   0.36156509  0.18080689  0.32627894
   0.13833446  0.27378518  0.12413653
   0.40814307  0.59578488  0.29740865
   0.49534837  0.32451987  0.15524389
   0.20959328  0.42085358  0.20935819
   0.22515456  0.08504198  0.49903248
  -0.10393360  0.13009630  0.42630590
   0.06519948 -0.04815862  0.52182748
   0.28476713  0.32421730  0.82801447
   0.08684349  0.36676965  0.59136560
   0.41386594  0.46673496  0.76757947
   0.44312571  0.39958964  0.65631427
   0.21163603  0.41488760  0.69446980
   0.25010927  0.07627479 -0.15827664
   0.03922905  0.10445129  0.89858839
   0.13529185  0.63766291  0.04852478
   0.29671610  0.82454608  0.31279505
   0.08241045  0.78092937  0.04293421
   0.43735372  0.95070839  0.31780716
   0.44018488  0.89809038  0.17074189
   0.20440393  0.90238646  0.14436555
   0.30385552  0.65464402  0.36090553
  -0.04609128  0.61253770  0.48411303
   0.31616402  0.39690794  0.55177286
   0.36753817  0.86961640  0.75540393
   0.11040964  0.70386790  0.49220734
   0.34364403  0.98816863  0.78443878
   0.46373427  0.97140541  0.63888539
   0.23816643  0.92958257  0.66170189
   0.23351357  0.77991977 -0.05102313
  -0.02435175  0.72984381  0.96818295
   0.57884917 -0.03830098 -0.00815699
   0.91678650  0.26460937  0.17424407
   0.75115857  0.40746006 -0.03259368
   0.70135694  0.45074364  0.38270883
  -0.12493552  0.41173358  0.12319477
   0.66592353  0.45646930  0.12168187
   0.70234737  0.27626349  0.33361942
   0.46347488  0.12410746  0.46875723
   0.68429398  0.07953641  0.56786946
   1.03870769  0.30193913  0.74068618
   0.57526705  0.36057359  0.55043071
   0.87653556  0.63093097  0.89717873
   1.17887252  0.54301919  0.55731687
   0.66369189  0.44692727  0.71190243
   0.80667997  0.12419798  0.84117337
   0.39930646  0.02770599  0.91013841
   0.53570145  0.62492319  0.00019405
   0.79495988  0.80429694  0.26497536
   0.61071768  0.85737650  0.05927361
   0.83969135  0.92036802  0.33159437
   0.83905346  0.93367116  0.03799837
   0.64441313  0.87738190  0.19668085
   0.92935002  0.85472865  0.32053283
   0.51485067  0.65908464  0.39674452
   0.64754990  0.56910498  0.51378827
   0.90031034  0.80657324  0.82964935
   0.68037023  0.85263232  0.79310751
   0.84032768  0.92280642  0.84467364
   0.96842616  0.90956464  0.67627126
   0.74384855  0.93993235  0.61256589
   0.79464507  0.72748228  0.92576181
   0.48069260  0.72973931  0.94357504
   3.37100109  3.80578200  1.55282904
   0.89050141 -0.76524832  2.78027726
   1.81499103  0.92438157  2.89238733
   1.95708354  3.95120752 -1.20657871
  -5.02759786 -0.32286361 -2.22768200
   1.71199979 -2.45264473  3.68505922
  -0.72672372 -0.04370099 -1.01349948
  -0.22392522 -0.43626626 -0.24639529
  -0.70359760 -1.59418082 -1.94380431
   5.42326071  3.06714332 -0.93498526
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    11.947909   -3.884198    0.443429
    -0.000000   23.283301    5.120363
    -0.000000    0.000000   17.150213
   Si   O    H 
    32    64    10
Direct configuration=  3960
   0.16449515  0.22051086 -0.02360973
   0.34625388  0.12675764  0.41524502
   0.24076476  0.48532161 -0.00477113
   0.84805905 -0.12579738  0.51430805
   0.17970078 -0.24542127  0.11234105
   0.30290606  0.02840041  0.83822447
   0.23269233  0.35958691  0.64146868
   0.33420104  0.40055780  0.76712984
   0.11581809  0.71188579  0.01465606
   0.38497599  0.62535170  0.39988964
   0.16196006  1.00904461  0.13657622
   0.35482504  0.89910250  0.26989606
   0.12073553  0.64082476  0.49944586
   0.38212707  0.77527583  0.87530345
   0.11968053  0.93939016  0.61527657
   0.33956134  0.93343883  0.74240483
   0.52157207  0.02144764  0.97290357
   0.78426120  0.16486146  0.40337846
   0.71420958  0.42773422  0.04514408
   0.97152037  0.44377564  0.20995433
   0.56525361  0.20247681  0.37431076
   0.81393056  0.16825202  0.91218666
   0.54703143  0.39240712  0.61804268
   0.84960924  0.43688383  0.76642815
   0.49591298  0.67124777  0.03427224
   0.53477507  0.41364871  0.50139266
   0.57947484  0.90582828  0.12083285
   0.77110587  0.73481670  0.28427530
   0.62544181  0.63430469  0.53800364
   0.86480644  0.68543266  0.93675392
   0.58539604  0.94546219  0.65771866
   0.91976743  0.88389990  0.81253352
   0.07639082  0.01173227  0.05892847
   0.36254486  0.18033715  0.32835101
   0.13877288  0.27449067  0.12474845
   0.40841343  0.59704331  0.29763435
   0.49447404  0.32369579  0.15565934
   0.20820726  0.42020191  0.20998217
   0.22385722  0.08469148  0.50030530
  -0.10568261  0.13161693  0.42464558
   0.06417937 -0.04817976  0.52256019
   0.28570970  0.32515337  0.82709323
   0.08774487  0.36735364  0.59127768
   0.41705763  0.46716175  0.76832910
   0.44023543  0.39992831  0.65656111
   0.21363278  0.41509574  0.69496009
   0.25064782  0.07618429 -0.15930987
   0.04096444  0.10481091  0.89888843
   0.13551993  0.63881572  0.04712282
   0.29620472  0.82385859  0.31115693
   0.08294214  0.78031798  0.04346140
   0.44131758  0.95151375  0.31605307
   0.43877318  0.89766430  0.16917438
   0.20623008  0.90324947  0.14412266
   0.30261910  0.65671563  0.35932661
  -0.04623642  0.61152046  0.48425483
   0.31657361  0.39784685  0.55059445
   0.36453711  0.87153379  0.75593491
   0.11104126  0.70292047  0.49356909
   0.34553631  0.98649371  0.78402544
   0.46567966  0.97151390  0.64022104
   0.23846774  0.92819626  0.66229044
   0.23410877  0.78061404 -0.05001726
  -0.02267306  0.73101437  0.96741842
   0.57551043 -0.03812060 -0.00861347
   0.92064977  0.26574257  0.17350696
   0.75276127  0.40643333 -0.02972913
   0.69715354  0.44850040  0.38454693
  -0.12809964  0.41160047  0.12532547
   0.66507131  0.45543510  0.12066136
   0.70178968  0.27396109  0.33512333
   0.46277494  0.12364875  0.46924741
   0.68394381  0.07936368  0.56776987
   1.03902860  0.30376493  0.74006722
   0.57573030  0.35674483  0.55010522
   0.87711042  0.63042010  0.89705516
   1.18147506  0.54354836  0.55676325
   0.66298326  0.44938245  0.71164667
   0.80554692  0.12554772  0.84284477
   0.40137871  0.02538207  0.91476862
   0.53572432  0.62542779  0.00151420
   0.79279135  0.80274621  0.26432396
   0.61199427  0.85806785  0.05996811
   0.84234511  0.92191720  0.33206197
   0.83994219  0.93266509  0.03847528
   0.64471060  0.87651405  0.19792374
   0.93459768  0.86105854  0.32037639
   0.51594999  0.66104255  0.39676574
   0.65253339  0.57046653  0.51566914
   0.90271417  0.80713533  0.82984764
   0.63389230  0.88856113  1.04525995
   0.83935602  0.92245078  0.84204839
   0.96916356  0.91003479  0.67611440
   0.74237673  0.94052624  0.61176094
   0.79966260  0.72951121  0.92402264
   0.47929502  0.73017438  0.94447542
   3.66440842  3.83930954  1.44568866
   0.94264877 -0.75270409  2.78333052
   1.78792632  0.94240546  2.90978224
   1.98677189  3.96830796 -1.28774434
  -5.00994823 -0.32778656 -2.24128206
   1.73662706 -2.49678890  3.69773060
  -0.70137738 -0.14252350 -1.02100060
  -0.26567026 -0.43240704 -0.29679560
  -0.48619461 -1.15908660 -2.39110416
   5.43525111  3.05623507 -0.94711943
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.015884   -3.837697    0.312062
    -0.000000   23.388373    4.929716
    -0.000000    0.000000   17.480503
   Si   O    H 
    32    64    10
Direct configuration=  3961
   0.16090590  0.22236182 -0.02466902
   0.34620732  0.12743047  0.41551311
   0.24163878  0.48621574 -0.00472284
   0.85053962 -0.12423774  0.51466286
   0.17995790 -0.24520126  0.11164365
   0.29877580  0.02704046  0.83731153
   0.23296844  0.35950930  0.64259039
   0.33269338  0.40022456  0.76784487
   0.11515448  0.71216866  0.01409642
   0.38531092  0.62451543  0.40149767
   0.16099377  1.00897780  0.13588136
   0.35556867  0.89938920  0.26957227
   0.12091493  0.64083768  0.50053408
   0.38156608  0.77489291  0.87683838
   0.11847621  0.93900533  0.61522505
   0.34135554  0.93302379  0.74333910
   0.52338365  0.02126041  0.97293517
   0.78456644  0.16320753  0.40456599
   0.71673677  0.42915228  0.04537550
   0.97284162  0.44437321  0.21000899
   0.56834665  0.20275659  0.37365504
   0.81419156  0.16783837  0.91141129
   0.54433306  0.39111241  0.61781348
   0.85028365  0.43710788  0.76640100
   0.49338316  0.67102468  0.03557945
   0.52997790  0.41124675  0.50071373
   0.57789353  0.90627766  0.12181066
   0.78163656  0.69977046  0.20330718
   0.62413826  0.63234531  0.53824367
   0.86391750  0.68545697  0.93729070
   0.58291911  0.94498467  0.65824466
   0.91938197  0.88313703  0.81375833
   0.07493935  0.01039231  0.05972194
   0.36359810  0.17989771  0.33039479
   0.13988973  0.27530843  0.12500222
   0.40845939  0.59765092  0.29831250
   0.49424278  0.32285721  0.15621303
   0.20629817  0.41949813  0.20982198
   0.22229328  0.08432815  0.50166144
  -0.10782987  0.13298204  0.42344791
   0.06354419 -0.04787102  0.52368592
   0.28644510  0.32632530  0.82589474
   0.08817716  0.36752489  0.59139336
   0.41961894  0.46783213  0.76922499
   0.43762155  0.40083434  0.65702762
   0.21517582  0.41494930  0.69554883
   0.25138567  0.07637401 -0.15992542
   0.04258538  0.10504427  0.89912105
   0.13630496  0.64024204  0.04588165
   0.29566578  0.82322637  0.30975478
   0.08499974  0.77953622  0.04455305
   0.44476642  0.95204841  0.31480572
   0.43748386  0.89755565  0.16748410
   0.20774746  0.90406311  0.14355982
   0.30122327  0.65928925  0.35745634
  -0.04631627  0.61078201  0.48479250
   0.31699399  0.39896987  0.54949073
   0.36181171  0.87350802  0.75629943
   0.11170093  0.70225701  0.49457391
   0.34667354  0.98504806  0.78365455
   0.46781182  0.97160108  0.64130392
   0.23901708  0.92684674  0.66259861
   0.23552340  0.78164010 -0.04920478
  -0.02073488  0.73218491  0.96692139
   0.57171833 -0.03758048 -0.00962631
   0.92415456  0.26658175  0.17267695
   0.75481430  0.40566684 -0.02720913
   0.69389647  0.44646907  0.38636283
  -0.13007352  0.41169321  0.12730995
   0.66430693  0.45466130  0.11957673
   0.70033984  0.27204244  0.33710298
   0.46194237  0.12317660  0.46982281
   0.68345439  0.07895344  0.56816536
   1.03887268  0.30561503  0.73973064
   0.57648136  0.35302166  0.54996308
   0.87763813  0.62987228  0.89692244
   1.18345817  0.54417509  0.55593078
   0.66219314  0.45144176  0.71141717
   0.80464686  0.12684422  0.84454082
   0.40341240  0.02359661  0.91884456
   0.53533786  0.62582801  0.00244381
   0.79105237  0.80127371  0.26402580
   0.57454749  0.80190418  0.08474314
   0.84436799  0.92338836  0.33203268
   0.84075406  0.93142355  0.03881676
   0.64501545  0.87554801  0.19942513
   0.93981135  0.86681934  0.32092736
   0.51756360  0.66283702  0.39664860
   0.65681525  0.57227485  0.51706843
   0.90542486  0.80776267  0.83029136
   0.63778935  0.97980836  1.23825972
   0.83807459  0.92204405  0.83986622
   0.97019915  0.91071065  0.67565771
   0.73993763  0.94067947  0.61161471
   0.80373790  0.73204851  0.92272514
   0.47746928  0.73085169  0.94503423
   3.92786358  3.86854402  1.35672052
   0.99369166 -0.73965513  2.78336892
   1.77128921  0.96044279  2.91767047
   2.00982930  3.97944289 -1.36154072
  -4.99753161 -0.33315140 -2.25361726
   1.75023628 -2.53616047  3.70918083
  -0.67876882 -0.23376597 -1.02721569
  -0.30174356 -0.43117027 -0.34128899
  -0.31984456 -0.78344914 -2.64183152
   5.44683840  3.04374584 -0.95963984
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.078867   -3.791315    0.180035
    -0.000000   23.491456    4.742303
    -0.000000    0.000000   17.838227
   Si   O    H 
    32    64    10
Direct configuration=  3962
   0.15734376  0.22411174 -0.02582380
   0.34604813  0.12790018  0.41587359
   0.24260570  0.48710770 -0.00468360
   0.85248733 -0.12284796  0.51517544
   0.18009672 -0.24513169  0.11145244
   0.29579919  0.02600777  0.83628758
   0.23328831  0.35963941  0.64364482
   0.33148217  0.39987813  0.76828251
   0.11416982  0.71215356  0.01306248
   0.38613607  0.62356286  0.40261565
   0.16034748  1.00889562  0.13537573
   0.35639594  0.89972545  0.26924039
   0.12113001  0.64062215  0.50149365
   0.38104317  0.77460331  0.87824905
   0.11681088  0.93873262  0.61509112
   0.34292553  0.93262997  0.74362061
   0.52436762  0.02099453  0.97324770
   0.78527908  0.16134667  0.40564923
   0.71874374  0.43050578  0.04580271
   0.97342839  0.44477590  0.20976387
   0.57052829  0.20274563  0.37334362
   0.81428101  0.16744420  0.91028481
   0.54171114  0.38978371  0.61807381
   0.85136467  0.43722846  0.76633315
   0.49110583  0.67083901  0.03687690
   0.52580866  0.40951152  0.49961174
   0.57653805  0.90669068  0.12266492
   0.78975002  0.66750798  0.13306973
   0.62315911  0.63025628  0.53803336
   0.86329078  0.68518101  0.93729698
   0.58096029  0.94470148  0.65875271
   0.91887093  0.88204374  0.81496894
   0.07446699  0.00954748  0.06035395
   0.36410260  0.17946639  0.33166261
   0.14067361  0.27608769  0.12537806
   0.40755355  0.59782887  0.29879841
   0.49392583  0.32196652  0.15678393
   0.20467464  0.41881918  0.20996378
   0.22129198  0.08375931  0.50310437
  -0.11045091  0.13447013  0.42204277
   0.06286513 -0.04790502  0.52496955
   0.28700183  0.32717450  0.82436380
   0.08841987  0.36747066  0.59188008
   0.42187231  0.46844923  0.77001199
   0.43497476  0.40145327  0.65754277
   0.21701155  0.41473743  0.69592979
   0.25153083  0.07702273 -0.16054882
   0.04439175  0.10509642  0.89897242
   0.13793214  0.64161581  0.04415053
   0.29566494  0.82271095  0.30850995
   0.08778164  0.77891259  0.04567541
   0.44710089  0.95270447  0.31355864
   0.43689687  0.89751520  0.16582790
   0.20834297  0.90506525  0.14344029
   0.29963686  0.66182502  0.35593360
  -0.04650572  0.61028736  0.48486161
   0.31704147  0.40011219  0.54845731
   0.35919668  0.87460795  0.75658899
   0.11204269  0.70196118  0.49530614
   0.34730562  0.98450221  0.78298115
   0.46955118  0.97154270  0.64272813
   0.23907570  0.92562153  0.66247990
   0.23738149  0.78277455 -0.04837413
  -0.01892722  0.73324275  0.96652201
   0.56852515 -0.03654436 -0.01131494
   0.92735542  0.26746611  0.17197130
   0.75636360  0.40478538 -0.02505976
   0.69049508  0.44395492  0.38818176
  -0.13082132  0.41218635  0.12931707
   0.66413434  0.45379950  0.11832051
   0.69759298  0.26978620  0.33915437
   0.46107926  0.12273330  0.47016249
   0.68300287  0.07833557  0.56841982
   1.03905106  0.30707638  0.73975850
   0.57689341  0.34951216  0.54988802
   0.87777094  0.62960600  0.89699270
   1.18486505  0.54477733  0.55535974
   0.66069182  0.45317417  0.71078983
   0.80418250  0.12817394  0.84673999
   0.40522434  0.02175663  0.92277268
   0.53574689  0.62612686  0.00318437
   0.78929378  0.79965634  0.26385524
   0.54165598  0.75202162  0.10577117
   0.84584856  0.92448428  0.33167908
   0.84150410  0.93043337  0.03885277
   0.64584659  0.87471656  0.20113331
   0.94742822  0.87074102  0.31168365
   0.51954294  0.66466679  0.39694278
   0.66028151  0.57433395  0.51839459
   0.90842165  0.80889827  0.83016366
   0.64462152  1.06420636  1.40583390
   0.83676035  0.92162525  0.83794942
   0.97096508  0.91131487  0.67512164
   0.73745296  0.94068257  0.61168884
   0.80714977  0.73468387  0.92115588
   0.47614975  0.73179208  0.94519523
   4.11035515  3.90823429  1.44737933
   1.04680485 -0.72711914  2.77961424
   1.75794772  0.97529903  2.92033437
   2.02438879  3.98486004 -1.42117984
  -4.98822005 -0.33951944 -2.26399606
   1.77582963 -2.57076336  3.71818872
  -0.66013724 -0.31904934 -1.03380446
  -0.33540327 -0.43191028 -0.37988586
  -0.17105139 -0.44983735 -2.73213258
   5.46279775  3.03285805 -0.97268021
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.135967   -3.744985    0.048467
    -0.000000   23.591400    4.560780
    -0.000000    0.000000   18.213787
   Si   O    H 
    32    64    10
Direct configuration=  3963
   0.15485098  0.22582938 -0.02680837
   0.34610393  0.12815351  0.41624099
   0.24377940  0.48796640 -0.00473212
   0.85372323 -0.12170655  0.51550499
   0.18008651 -0.24474180  0.11123729
   0.29367852  0.02462444  0.83526088
   0.23306798  0.35985306  0.64434244
   0.33020823  0.39958246  0.76853877
   0.11315046  0.71196785  0.01214073
   0.38700834  0.62267779  0.40356178
   0.15978601  1.00900190  0.13453702
   0.35661189  0.89987823  0.26891467
   0.12115338  0.64020157  0.50242024
   0.38034712  0.77437510  0.87970504
   0.11550803  0.93861931  0.61535235
   0.34433725  0.93271386  0.74371146
   0.52521299  0.02052996  0.97357768
   0.78631491  0.15953069  0.40655158
   0.72025794  0.43134825  0.04653975
   0.97384092  0.44523334  0.20941457
   0.57289447  0.20291563  0.37280476
   0.81451216  0.16714394  0.90920419
   0.53933041  0.38850216  0.61891910
   0.85326530  0.43744742  0.76660571
   0.48911674  0.67072053  0.03773362
   0.52192966  0.40777824  0.49823147
   0.57547751  0.90728774  0.12329342
   0.79559760  0.63753444  0.07227181
   0.62214299  0.62781830  0.53778730
   0.86250838  0.68466436  0.93720905
   0.57903216  0.94442122  0.65896393
   0.91791132  0.88088239  0.81639966
   0.07376404  0.00894479  0.06138957
   0.36432522  0.17906757  0.33289119
   0.14151456  0.27657684  0.12551395
   0.40663880  0.59810711  0.29929856
   0.49315143  0.32098579  0.15744130
   0.20318641  0.41826610  0.21011842
   0.22086929  0.08375395  0.50407292
  -0.11300637  0.13549026  0.42110008
   0.06209191 -0.04785055  0.52580760
   0.28763920  0.32769218  0.82211336
   0.08831095  0.36750689  0.59216792
   0.42421151  0.46943865  0.77078254
   0.43243813  0.40248864  0.65830525
   0.21919293  0.41489673  0.69606192
   0.25203569  0.07785756 -0.16119807
   0.04612184  0.10526181  0.89868696
   0.13933094  0.64327935  0.04262049
   0.29589739  0.82242476  0.30714062
   0.09001210  0.77811110  0.04657449
   0.44900514  0.95310275  0.31252465
   0.43598239  0.89704035  0.16408738
   0.20936123  0.90612044  0.14290823
   0.29864470  0.66472620  0.35421811
  -0.04595660  0.61002921  0.48473496
   0.31706183  0.40119117  0.54773027
   0.35748684  0.87484913  0.75709568
   0.11232855  0.70195370  0.49591511
   0.34799699  0.98468848  0.78243056
   0.47112170  0.97123354  0.64364784
   0.23910372  0.92474810  0.66246401
   0.23943944  0.78373731 -0.04767293
  -0.01644806  0.73465786  0.96646507
   0.56583574 -0.03562837 -0.01282392
   0.93051605  0.26835409  0.17138552
   0.75787717  0.40386286 -0.02297544
   0.68760912  0.44195012  0.39024234
  -0.13060219  0.41266323  0.13121291
   0.66391550  0.45321391  0.11741647
   0.69496409  0.26769532  0.34088170
   0.46040378  0.12204155  0.47021284
   0.68260685  0.07785564  0.56848639
   1.03924666  0.30852663  0.73990370
   0.57657704  0.34632710  0.55001904
   0.87777182  0.62965639  0.89747324
   1.18615584  0.54544608  0.55487144
   0.65975478  0.45489552  0.71002086
   0.80377743  0.12925661  0.84905869
   0.40641497  0.02005538  0.92590761
   0.53561698  0.62617900  0.00369650
   0.78694470  0.79823050  0.26363715
   0.51229783  0.70753944  0.12332706
   0.84681394  0.92557708  0.33165254
   0.84221617  0.92964764  0.03882434
   0.64632239  0.87400904  0.20242687
   0.95349519  0.87407316  0.30376655
   0.52119760  0.66658084  0.39718230
   0.66328242  0.57660051  0.51984442
   0.91148221  0.81048567  0.83020011
   0.65383340  1.14181363  1.55133330
   0.83602759  0.92158058  0.83602450
   0.97158271  0.91179047  0.67464400
   0.73553954  0.94094542  0.61103929
   0.81026738  0.73719051  0.92008033
   0.47450027  0.73282745  0.94527434
   4.27344194  3.94447561  1.52818559
   1.09771137 -0.72147105  2.77281197
   1.74675134  0.98748274  2.92271741
   2.04127410  3.98808785 -1.47520592
  -4.98064114 -0.34615297 -2.27352062
   1.78533690 -2.60543767  3.71445537
  -0.64452778 -0.39792946 -1.03990261
  -0.36832913 -0.43218516 -0.41299253
  -0.06086674 -0.16233849 -2.67151905
   5.47365051  3.02644628 -0.97933667
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.187512   -3.699284   -0.081336
    -0.000000   23.686668    4.385511
    -0.000000    0.000000   18.600814
   Si   O    H 
    32    64    10
Direct configuration=  3964
   0.15220319  0.22734517 -0.02783103
   0.34655229  0.12813269  0.41659796
   0.24512635  0.48902711 -0.00489270
   0.85491440 -0.12070266  0.51568509
   0.18056723 -0.24454012  0.11117677
   0.29183254  0.02301265  0.83406762
   0.23270714  0.36002627  0.64471227
   0.32912175  0.39931697  0.76883276
   0.11220669  0.71160332  0.01127148
   0.38789545  0.62172752  0.40417221
   0.15905722  1.00906229  0.13368829
   0.35671590  0.89980338  0.26886099
   0.12123421  0.63961321  0.50319905
   0.37982635  0.77429178  0.88131111
   0.11445122  0.93834476  0.61559133
   0.34520209  0.93298131  0.74387438
   0.52701183  0.02006276  0.97326056
   0.78799090  0.15815076  0.40731819
   0.72105825  0.43190309  0.04721082
   0.97383008  0.44524647  0.20874067
   0.57531335  0.20328210  0.37223827
   0.81437232  0.16704533  0.90854920
   0.53763450  0.38737256  0.61964349
   0.85475667  0.43755231  0.76663235
   0.48775438  0.67073300  0.03827235
   0.51848412  0.40624206  0.49710249
   0.57464023  0.90786007  0.12403479
   0.80086925  0.61016518  0.01930398
   0.62149262  0.62588090  0.53735482
   0.86199877  0.68396454  0.93723467
   0.57703413  0.94410754  0.65925431
   0.91649014  0.87979211  0.81797588
   0.07330257  0.00832830  0.06287602
   0.36403657  0.17865564  0.33416289
   0.14283717  0.27726163  0.12525003
   0.40534546  0.59845184  0.29939776
   0.49202252  0.32006938  0.15792528
   0.20156041  0.41749471  0.20980629
   0.22050276  0.08374332  0.50557008
  -0.11502173  0.13626009  0.41994058
   0.06105509 -0.04801538  0.52580617
   0.28864891  0.32850785  0.81968249
   0.08865818  0.36750218  0.59249316
   0.42610591  0.47011070  0.77114095
   0.43056615  0.40397176  0.65862347
   0.22116916  0.41514103  0.69618215
   0.25253999  0.07884317 -0.16109064
   0.04831359  0.10578918  0.89825887
   0.14004477  0.64458673  0.04065871
   0.29577708  0.82286622  0.30539108
   0.09266260  0.77721935  0.04773665
   0.45007517  0.95323576  0.31180281
   0.43558445  0.89657023  0.16237820
   0.21045508  0.90740592  0.14251643
   0.29793258  0.66657700  0.35316964
  -0.04564691  0.60967761  0.48445949
   0.31671467  0.40213035  0.54744798
   0.35590447  0.87426375  0.75787644
   0.11287475  0.70241005  0.49688391
   0.34845812  0.98531763  0.78201915
   0.47243645  0.97134403  0.64444919
   0.23883669  0.92379635  0.66257323
   0.24112154  0.78475421 -0.04707906
  -0.01360961  0.73585631  0.96668247
   0.56403948 -0.03436796 -0.01501281
   0.93337460  0.26901940  0.17117088
   0.75932123  0.40332895 -0.02116542
   0.68440665  0.44009139  0.39220269
  -0.12956664  0.41303051  0.13294057
   0.66374900  0.45252131  0.11644038
   0.69284296  0.26593316  0.34251125
   0.45988683  0.12137841  0.47019110
   0.68159313  0.07853970  0.56805369
   1.03965390  0.30952574  0.74040953
   0.57561179  0.34358054  0.55019601
   0.87766121  0.62996269  0.89783922
   1.18710984  0.54622236  0.55427828
   0.65947484  0.45658836  0.70919793
   0.80348130  0.12991672  0.85137842
   0.40744485  0.01866966  0.92835138
   0.53537439  0.62641989  0.00485633
   0.78464476  0.79686216  0.26311008
   0.48584702  0.66832009  0.13762775
   0.84787766  0.92641148  0.33186151
   0.84312428  0.92881725  0.03820095
   0.64642674  0.87332763  0.20335002
   0.95873813  0.87832720  0.29663543
   0.52357376  0.66863795  0.39749584
   0.66651739  0.57856009  0.52114920
   0.91510863  0.81239160  0.83041720
   0.66521742  1.21170668  1.67839199
   0.83611832  0.92179963  0.83402883
   0.97305416  0.91251060  0.67405095
   0.73418791  0.94153112  0.61037348
   0.81282852  0.73954508  0.91915976
   0.47243916  0.73367446  0.94519788
   4.41538937  3.97770209  1.60023728
   1.13572805 -0.71410991  2.76334891
   1.73654257  0.99861210  2.92477959
   2.06285092  3.99598829 -1.52159527
  -4.97344865 -0.35249056 -2.28225877
   1.79513817 -2.63786792  3.71351574
  -0.63294773 -0.47071986 -1.04549521
  -0.39749890 -0.43354950 -0.44046676
   0.01940988  0.06114828 -2.47458056
   5.46048981  3.02702256 -0.95945720
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.233853   -3.654051   -0.208705
    -0.000000   23.776683    4.216838
    -0.000000    0.000000   18.993689
   Si   O    H 
    32    64    10
Direct configuration=  3965
   0.14994517  0.22870162 -0.02872750
   0.34668443  0.12809047  0.41710902
   0.24673688  0.48994562 -0.00495060
   0.85567273 -0.11996783  0.51563932
   0.18104830 -0.24433071  0.11120238
   0.29041142  0.02160219  0.83316204
   0.23230056  0.36065343  0.64508872
   0.32804697  0.39894964  0.76966411
   0.11097294  0.71110004  0.01052226
   0.38839296  0.62079474  0.40466731
   0.15822891  1.00870646  0.13316579
   0.35679235  0.89999872  0.26855549
   0.12138783  0.63913435  0.50349705
   0.37926461  0.77417003  0.88280144
   0.11383701  0.93818600  0.61601481
   0.34558023  0.93341450  0.74401769
   0.52814352  0.01973535  0.97300706
   0.78922529  0.15722864  0.40820373
   0.72154624  0.43261756  0.04775045
   0.97344754  0.44531696  0.20828539
   0.57736142  0.20347300  0.37178621
   0.81412896  0.16730436  0.90817471
   0.53591563  0.38644049  0.62050072
   0.85625649  0.43761754  0.76651653
   0.48718367  0.67077585  0.03851985
   0.51540282  0.40472547  0.49619261
   0.57433809  0.90839726  0.12472584
   0.80441359  0.58451351 -0.02661430
   0.62118536  0.62502535  0.53669237
   0.86176344  0.68338251  0.93660768
   0.57562442  0.94362022  0.65926970
   0.91395255  0.87853423  0.81947682
   0.07262863  0.00739606  0.06469500
   0.36409796  0.17859300  0.33567558
   0.14397772  0.27771328  0.12507702
   0.40386764  0.59880820  0.29959659
   0.49052828  0.31943416  0.15890173
   0.19953539  0.41647928  0.20982574
   0.22058251  0.08358393  0.50680492
  -0.11631068  0.13635399  0.41867898
   0.06069516 -0.04793301  0.52507382
   0.29018450  0.32940033  0.81722335
   0.08902612  0.36720833  0.59307310
   0.42649295  0.47058948  0.77153356
   0.42858115  0.40513757  0.65847953
   0.22332514  0.41504184  0.69607979
   0.25244650  0.07940529 -0.16099469
   0.05086359  0.10666068  0.89806629
   0.14040566  0.64603529  0.03903305
   0.29647514  0.82327945  0.30359675
   0.09573555  0.77642146  0.04927531
   0.45014230  0.95308166  0.31097461
   0.43515474  0.89661770  0.16064756
   0.21142642  0.90919594  0.14229301
   0.29762428  0.66788640  0.35201650
  -0.04528379  0.60939884  0.48431588
   0.31639889  0.40291184  0.54799618
   0.35395122  0.87277428  0.75823320
   0.11335883  0.70282369  0.49803320
   0.34813427  0.98595692  0.78148183
   0.47418984  0.97168254  0.64471528
   0.23867648  0.92274319  0.66263909
   0.24192813  0.78563476 -0.04659035
  -0.01071706  0.73685032  0.96671264
   0.56265338 -0.03352207 -0.01739273
   0.93637492  0.27008006  0.17072099
   0.75994619  0.40273353 -0.01948294
   0.68145062  0.43818479  0.39376226
  -0.12809090  0.41358888  0.13466347
   0.66321480  0.45215513  0.11508971
   0.69082026  0.26401084  0.34402840
   0.45930956  0.12059274  0.46998826
   0.68116068  0.07934415  0.56779690
   1.04056812  0.31032206  0.74138629
   0.57366761  0.34094125  0.55053218
   0.87794236  0.63056785  0.89838242
   1.18844596  0.54700105  0.55354944
   0.65975160  0.45802172  0.70863598
   0.80318976  0.12976341  0.85304833
   0.40761041  0.01721891  0.92977872
   0.53486687  0.62656314  0.00553506
   0.78321931  0.79553227  0.26263374
   0.46283078  0.63353734  0.14900338
   0.84903264  0.92753263  0.33178170
   0.84379906  0.92773651  0.03771534
   0.64670868  0.87236048  0.20381105
   0.96352717  0.88201007  0.29017522
   0.52641952  0.67101515  0.39744419
   0.66979979  0.57958375  0.52227804
   0.91834640  0.81443784  0.83017900
   0.67668975  1.27583876  1.78865306
   0.83633806  0.92200267  0.83245674
   0.97454322  0.91324689  0.67351337
   0.73244543  0.94191763  0.60991661
   0.81531811  0.74120632  0.91821878
   0.47140565  0.73487788  0.94490313
   4.54391172  4.01126519  1.66449046
   1.16494852 -0.70814725  2.75473310
   1.72583670  1.00877254  2.92595668
   2.07901355  4.00044329 -1.55203344
  -4.96799037 -0.35917840 -2.29024505
   1.80722507 -2.66438026  3.71627949
  -0.62493145 -0.53609552 -1.04938010
  -0.43540745 -0.44640602 -0.45477834
   0.07786223  0.25302873 -2.16855936
   5.45119272  3.02877689 -0.94193912
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.276487   -3.610281   -0.333948
    -0.000000   23.864623    4.056733
    -0.000000    0.000000   19.390132
   Si   O    H 
    32    64    10
Direct configuration=  3966
   0.14679763  0.23010313 -0.02761667
   0.34743330  0.12845536  0.41746573
   0.24982804  0.49108482 -0.00651163
   0.85677541 -0.11892315  0.51477923
   0.18177042 -0.24404970  0.11170540
   0.28887245  0.02018434  0.83207111
   0.23143985  0.36085403  0.64644251
   0.32822272  0.39962582  0.76988455
   0.10970138  0.71031148  0.00968303
   0.38770486  0.61919363  0.40582797
   0.15778385  1.00832831  0.13275763
   0.35702401  0.90004778  0.26850613
   0.12214016  0.63885921  0.50437422
   0.37854518  0.77400622  0.88420501
   0.11289152  0.93828588  0.61587822
   0.34568213  0.93368548  0.74429556
   0.53094506  0.01827933  0.97023220
   0.78968865  0.15707308  0.40852587
   0.72212323  0.43461806  0.04703062
   0.97255715  0.44519298  0.20768162
   0.58080376  0.20346161  0.37186293
   0.81617764  0.16746131  0.90873315
   0.53560021  0.38630086  0.61946509
   0.85787574  0.43873448  0.76657512
   0.48671609  0.67062371  0.03793664
   0.51379922  0.40265248  0.49639303
   0.57293114  0.90851622  0.12592168
   0.81131491  0.56320217 -0.07097167
   0.61983620  0.62516230  0.53752287
   0.86471539  0.67832727  0.93318901
   0.57425607  0.94420574  0.65912450
   0.91145861  0.87838986  0.82049511
   0.07263834  0.00573801  0.06539773
   0.36332528  0.17742199  0.33796561
   0.14578928  0.27707772  0.12291825
   0.40383950  0.59878686  0.29635211
   0.49024332  0.31851996  0.16024756
   0.19677983  0.41468323  0.20970243
   0.21732502  0.08141211  0.50673032
  -0.11975118  0.13647429  0.41740441
   0.06286518 -0.04575729  0.52263246
   0.28982770  0.32836370  0.81525713
   0.09252378  0.36715131  0.59443514
   0.42612999  0.47055779  0.77245247
   0.42666021  0.40641862  0.65697699
   0.22593579  0.41636971  0.69416920
   0.25265720  0.07935340 -0.16019123
   0.05193498  0.10677200  0.89757966
   0.13857568  0.64627752  0.03709229
   0.29643448  0.82323104  0.30254878
   0.09651942  0.77722711  0.05098275
   0.45042598  0.95301855  0.31040272
   0.43370400  0.89652027  0.15848860
   0.21335470  0.91182600  0.14174319
   0.29650944  0.66952347  0.35151992
  -0.04479429  0.60834943  0.48379562
   0.31645055  0.40346313  0.54851191
   0.35263174  0.87201816  0.75865563
   0.11297462  0.70374877  0.49819534
   0.34694363  0.98634844  0.78136409
   0.47832542  0.97405338  0.64549895
   0.24017396  0.92197477  0.66363493
   0.24192159  0.78643054 -0.04614617
  -0.00631829  0.74043063  0.96769972
   0.56113958 -0.03092196 -0.02265543
   0.93909609  0.27179991  0.17069824
   0.76081980  0.40172452 -0.01806040
   0.67705382  0.43523784  0.39690237
  -0.12478736  0.41395919  0.13749165
   0.66353065  0.45230500  0.11350991
   0.68971676  0.26170478  0.34565326
   0.45637301  0.11960085  0.46945162
   0.68254779  0.08090112  0.56693542
   1.03389963  0.31014882  0.74042474
   0.56983264  0.33910776  0.54916782
   0.86699781  0.63020631  0.91151039
   1.19094528  0.54755625  0.55191913
   0.65789514  0.45952040  0.70841546
   0.80242045  0.13046019  0.85368623
   0.40673355  0.01523666  0.92821331
   0.53202179  0.62664102  0.00605327
   0.78210465  0.79285744  0.26015512
   0.44262571  0.60118441  0.16207951
   0.84949459  0.93066684  0.33582901
   0.84297327  0.92652026  0.03694356
   0.64575247  0.87082208  0.20402561
   0.97095489  0.88412166  0.28475040
   0.52796908  0.67415920  0.39616878
   0.66937921  0.57764681  0.52423808
   0.92063752  0.81394904  0.83139897
   0.68496386  1.33305924  1.88457465
   0.83610951  0.92124875  0.83095091
   0.97527779  0.91382032  0.67503855
   0.73114685  0.94225132  0.61073807
   0.81565373  0.74545058  0.91714009
   0.47258182  0.73584551  0.94381620
   4.58198110  3.95364600  1.71682514
   1.23531874 -0.69859057  2.74038599
   1.74609223  1.00633480  2.92712730
   2.10447036  3.99409193 -1.54362979
  -4.96631003 -0.37303169 -2.28104695
   1.88354239 -2.70445256  3.70769913
  -0.59191223 -0.56514163 -1.05147615
  -0.39193057 -0.42095934 -0.47608776
   0.13985760  0.41969401 -1.74435682
   5.39330812  3.04572273 -0.80427029
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.313870   -3.567358   -0.456618
    -0.000000   23.945978    3.903634
    -0.000000    0.000000   19.785553
   Si   O    H 
    32    64    10
Direct configuration=  3967
   0.14412878  0.23169297 -0.02685044
   0.34803922  0.12867291  0.41803589
   0.25304284  0.49221938 -0.00803204
   0.85785316 -0.11809003  0.51404470
   0.18252762 -0.24365434  0.11188601
   0.28786720  0.01915405  0.83109272
   0.23061714  0.36109263  0.64731949
   0.32927484  0.40047075  0.77043728
   0.10792255  0.70966560  0.00876689
   0.38709741  0.61750639  0.40656480
   0.15736561  1.00810560  0.13279398
   0.35733774  0.89987205  0.26886647
   0.12275460  0.63830479  0.50553460
   0.37797057  0.77361532  0.88538562
   0.11200156  0.93840925  0.61584784
   0.34517748  0.93393038  0.74456185
   0.53317944  0.01795404  0.96800922
   0.78851702  0.15740825  0.40860781
   0.72240065  0.43622644  0.04647711
   0.97189774  0.44522963  0.20680832
   0.58439399  0.20364905  0.37197706
   0.81813714  0.16790756  0.90943212
   0.53559640  0.38622582  0.61864410
   0.85953560  0.43949555  0.76693833
   0.48642124  0.67068906  0.03716059
   0.51202338  0.40088942  0.49664781
   0.57166442  0.90851856  0.12717038
   0.81668185  0.54332355 -0.10942947
   0.61883235  0.62636568  0.53830070
   0.86728239  0.67566351  0.93063247
   0.57272014  0.94441341  0.65797778
   0.90869171  0.87821043  0.82122366
   0.07305576  0.00404671  0.06598882
   0.36286751  0.17683854  0.33982421
   0.14718423  0.27646904  0.12158478
   0.40329666  0.59874676  0.29397491
   0.49033779  0.31773763  0.16104346
   0.19385439  0.41276309  0.21024074
   0.21454359  0.07938300  0.50676314
  -0.12052848  0.13546435  0.41660755
   0.06445912 -0.04406394  0.52081128
   0.28985380  0.32771650  0.81348252
   0.09557716  0.36746643  0.59556351
   0.42550120  0.47055041  0.77320697
   0.42551697  0.40722777  0.65579756
   0.22837270  0.41733283  0.69237995
   0.25290870  0.07920100 -0.15955169
   0.05268458  0.10664499  0.89700565
   0.13702960  0.64643503  0.03554690
   0.29665630  0.82349247  0.30122980
   0.09729360  0.77804314  0.05303674
   0.45057079  0.95245750  0.30952267
   0.43228758  0.89626284  0.15656470
   0.21503008  0.91435734  0.14095158
   0.29544548  0.67080847  0.35090139
  -0.04445630  0.60716198  0.48361151
   0.31595897  0.40355049  0.54912318
   0.35146737  0.87115927  0.75941099
   0.11312490  0.70411627  0.49851364
   0.34597734  0.98705989  0.78108937
   0.48184160  0.97656463  0.64645502
   0.24114263  0.92134893  0.66454335
   0.24174152  0.78704597 -0.04546748
  -0.00208914  0.74359385  0.96850964
   0.56033245 -0.03103116 -0.02710405
   0.94169364  0.27329910  0.17066399
   0.76180156  0.40085698 -0.01668919
   0.67321173  0.43257872  0.39931958
  -0.12185981  0.41434545  0.14073169
   0.66344426  0.45269959  0.11159667
   0.68825937  0.25953853  0.34715563
   0.45373681  0.11859501  0.46920160
   0.68380631  0.08204648  0.56619844
   1.02755083  0.31022874  0.73971502
   0.56668664  0.33794927  0.54792244
   0.85781514  0.62771635  0.92195805
   1.19284435  0.54784524  0.55036310
   0.65632733  0.46070179  0.70813147
   0.80163341  0.13079787  0.85387447
   0.40518965  0.01361508  0.92649112
   0.52960834  0.62698898  0.00633124
   0.78120902  0.79019053  0.25837298
   0.42485655  0.57209922  0.17327443
   0.85062433  0.93346851  0.33904949
   0.84224733  0.92537112  0.03603092
   0.64591080  0.86951296  0.20405819
   0.97838185  0.88578783  0.28004820
   0.52918789  0.67705998  0.39522134
   0.67395100  0.57435121  0.52594112
   0.92318175  0.81367806  0.83230444
   0.69337415  1.38528288  1.96771667
   0.83661793  0.92085670  0.82914500
   0.97631396  0.91451632  0.67627351
   0.72934021  0.94223979  0.61177200
   0.81584397  0.74864318  0.91644465
   0.47295446  0.73644662  0.94288697
   4.62415156  3.90603854  1.78570988
   1.29979789 -0.69002643  2.72962491
   1.76476349  1.00401360  2.92672673
   2.12665723  3.98964542 -1.53276184
  -4.96441042 -0.38667021 -2.27136497
   1.95025874 -2.73930539  3.70201189
  -0.56442360 -0.59160568 -1.05247020
  -0.44112985 -0.41096049 -0.50265816
   0.19010804  0.56634038 -1.24596165
   5.34410075  3.06222756 -0.68604580
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.348689   -3.526568   -0.576470
    -0.000000   24.025420    3.759344
    -0.000000    0.000000   20.180166
   Si   O    H 
    32    64    10
Direct configuration=  3968
   0.14160932  0.23370106 -0.02548948
   0.35058123  0.12909473  0.41844624
   0.25526362  0.49447315 -0.00975781
   0.85981632 -0.11712124  0.51260499
   0.18278528 -0.24303940  0.11147376
   0.28703024  0.01805318  0.83013175
   0.22975779  0.36133376  0.64859741
   0.32976016  0.40173474  0.77094745
   0.10613375  0.70994098  0.00768678
   0.38700355  0.61555774  0.40777517
   0.15704334  1.00782584  0.13202528
   0.35718913  0.89900445  0.26928473
   0.12414442  0.63811452  0.50675039
   0.37653145  0.77327027  0.88649353
   0.11034496  0.93851985  0.61656217
   0.34464220  0.93419463  0.74475447
   0.53488245  0.01860363  0.96526189
   0.78639672  0.15803639  0.40849782
   0.72545724  0.44296122  0.05481696
   0.97053284  0.44495916  0.20604115
   0.58879452  0.20415946  0.37252473
   0.82052774  0.16836809  0.91031013
   0.53552164  0.38717571  0.61680115
   0.86068408  0.43974053  0.76863683
   0.48498661  0.67125628  0.03670768
   0.51166988  0.39938763  0.49843368
   0.56973280  0.90808277  0.12914998
   0.82028628  0.52491357 -0.14171285
   0.62054890  0.63145624  0.54200853
   0.87168947  0.67641236  0.92844590
   0.57115108  0.94472474  0.65687403
   0.90627707  0.87757336  0.82137838
   0.07289790  0.00234009  0.06503341
   0.36051857  0.17785374  0.34148848
   0.14744260  0.27464683  0.11970366
   0.40263003  0.59850201  0.29115978
   0.49073662  0.31618963  0.16259690
   0.18866667  0.41039358  0.21102603
   0.21072162  0.07601429  0.50683113
  -0.12000512  0.13481932  0.41652154
   0.06651723 -0.04254208  0.51980821
   0.28828710  0.32688544  0.80979809
   0.10092200  0.36928108  0.59640615
   0.42581822  0.46999482  0.77372369
   0.42525689  0.40721397  0.65296030
   0.23021997  0.41705398  0.69115688
   0.25269945  0.07860282 -0.15793562
   0.05175978  0.10586684  0.89645986
   0.13640544  0.64643568  0.03458424
   0.29652869  0.82342256  0.30031161
   0.09904887  0.77982093  0.05556358
   0.45098813  0.95221587  0.30849058
   0.43067006  0.89598789  0.15470588
   0.21608132  0.91672586  0.13912369
   0.29307982  0.67211385  0.35067749
  -0.04576616  0.60559875  0.48385779
   0.31432497  0.40330179  0.54947534
   0.35193288  0.87101902  0.75973383
   0.11358732  0.70461018  0.49808474
   0.34536621  0.98727802  0.78060541
   0.48553865  0.97777621  0.64787541
   0.24339736  0.92050637  0.66625846
   0.24055245  0.78641306 -0.04408554
   0.00222177  0.74570802  0.96914831
   0.55899227 -0.03358187 -0.03071364
   0.94572020  0.27676244  0.17040909
   0.80582227  0.41321607 -0.00992927
   0.66915578  0.42919703  0.40248888
  -0.10999720  0.41455686  0.15187919
   0.66343014  0.46132363  0.12136139
   0.68437672  0.25617064  0.34887197
   0.44975267  0.11724001  0.46929767
   0.68407737  0.08278874  0.56563779
   1.02341834  0.31095910  0.73780925
   0.56314986  0.33678135  0.54576118
   0.84620313  0.61736210  0.92943884
   1.19335003  0.54807953  0.54876203
   0.65320316  0.46154967  0.70667446
   0.80127914  0.13074693  0.85324255
   0.40276112  0.01262911  0.92481492
   0.52740897  0.62623610  0.00570313
   0.78139781  0.78778239  0.25589079
   0.41037533  0.54732369  0.18166286
   0.85023449  0.93710126  0.34402453
   0.84362324  0.92441188  0.03559321
   0.64563197  0.86827555  0.20349520
   0.98759030  0.88644386  0.27542982
   0.53242848  0.68024383  0.39533614
   0.67315202  0.57234151  0.52374572
   0.92448157  0.81353425  0.83313669
   0.64856817  1.40607315  1.99556719
   0.83262144  0.91973808  0.82641560
   0.97827537  0.91556930  0.67902898
   0.72525278  0.94248443  0.61464037
   0.81636074  0.75282899  0.91592797
   0.47370869  0.73601348  0.94338843
   4.69687244  3.86907931  1.84940622
   1.37919921 -0.66779161  2.74447518
   1.80633888  1.01546226  2.91072461
   2.15264509  3.99699298 -1.51236577
  -4.93403844 -0.38659280 -2.27294049
   2.01552660 -2.78260775  3.72031339
  -0.49464115 -0.63712551 -1.07689125
  -0.48265475 -0.51332040 -0.55530355
   0.20731025  0.69983953 -1.66419680
   5.34143739  3.06374535 -0.59834355
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.380325   -3.487625   -0.694058
    -0.000000   24.102804    3.620062
    -0.000000    0.000000   20.571359
   Si   O    H 
    32    64    10
Direct configuration=  3969
   0.13983051  0.23619479 -0.02282691
   0.35363623  0.12508088  0.41893039
   0.25853705  0.49714896 -0.01110566
   0.86196655 -0.11665029  0.51136886
   0.18212651 -0.24294192  0.11056123
   0.28600492  0.01705930  0.82916400
   0.22875360  0.36071656  0.65045844
   0.32934936  0.40255447  0.77157207
   0.10386097  0.71110468  0.00666304
   0.38654681  0.61297159  0.40935011
   0.15727724  1.00748696  0.13096061
   0.35731615  0.89877661  0.26975836
   0.12581930  0.63821783  0.50785938
   0.37499378  0.77322185  0.88752928
   0.10754123  0.93856436  0.61813625
   0.34291086  0.93462373  0.74457364
   0.53634509  0.02035159  0.96228542
   0.78427337  0.15834184  0.40837911
   0.72809332  0.45106965  0.06614039
   0.96828499  0.44402514  0.20543667
   0.59661543  0.20594088  0.37304585
   0.82302413  0.16830528  0.91110102
   0.53540396  0.38875745  0.61490117
   0.86153381  0.44000906  0.76983407
   0.48328617  0.67177761  0.03543273
   0.51277785  0.39934964  0.49987088
   0.56737838  0.90776003  0.13133306
   0.82360555  0.50902387 -0.16938814
   0.62283061  0.63638683  0.54590621
   0.87745660  0.67709371  0.92643837
   0.57055620  0.94387384  0.65704301
   0.90348405  0.87734919  0.82105951
   0.07170584  0.00024780  0.06305950
   0.35421200  0.18034911  0.33949343
   0.14488297  0.27184486  0.11758378
   0.40200637  0.59863859  0.28944208
   0.49312267  0.31468882  0.16507817
   0.18253090  0.40840539  0.21102602
   0.20828365  0.07049148  0.50413741
  -0.12088731  0.13459049  0.41670725
   0.07092659 -0.03971227  0.51904258
   0.28805698  0.32652759  0.80483975
   0.10638761  0.37132479  0.59694581
   0.42626959  0.46921166  0.77372970
   0.42579022  0.40605250  0.64935132
   0.23236848  0.41729473  0.69129395
   0.25203435  0.07791111 -0.15538555
   0.04827213  0.10385536  0.89529409
   0.13505931  0.64637693  0.03424398
   0.29623616  0.82348873  0.29909050
   0.10159469  0.78257825  0.05808645
   0.45285455  0.95220698  0.30728182
   0.42926108  0.89547974  0.15278876
   0.21631455  0.91888047  0.13703500
   0.29069234  0.67227199  0.35054643
  -0.04707353  0.60385944  0.48433052
   0.31004639  0.40254400  0.55021435
   0.35241833  0.87149364  0.75921368
   0.11362610  0.70555643  0.49923051
   0.34483209  0.98664528  0.77961054
   0.48534154  0.97939160  0.64979599
   0.24825141  0.91971007  0.66858042
   0.23805369  0.78460460 -0.04184203
   0.00647074  0.74644248  0.96935328
   0.55727302 -0.03820099 -0.03343562
   0.95241544  0.28233563  0.16971574
   0.83056967  0.42164574 -0.00689569
   0.66392441  0.42581418  0.40698583
  -0.09665037  0.41379271  0.16359123
   0.66388360  0.47011282  0.12922204
   0.67599006  0.25145598  0.35136163
   0.44419967  0.11364987  0.47069354
   0.68410818  0.08319310  0.56499868
   1.02067829  0.31324883  0.73504913
   0.55883154  0.33677099  0.54294513
   0.83536269  0.60589611  0.93640042
   1.19208124  0.54825349  0.54721779
   0.64858932  0.46232224  0.70391238
   0.80188355  0.13033385  0.85304183
   0.39953769  0.01150244  0.92319667
   0.52483905  0.62541265  0.00491906
   0.78318329  0.78577413  0.25279773
   0.39763757  0.52565562  0.18805334
   0.84953356  0.94095645  0.34818376
   0.84684605  0.92412167  0.03506826
   0.64389243  0.86707962  0.20241328
   0.99605533  0.88665804  0.27110285
   0.53662934  0.68400268  0.39398311
   0.67150528  0.56992001  0.52111790
   0.92431646  0.81288475  0.83449415
   0.62577708  1.42447737  2.01731501
   0.82367635  0.91499435  0.82466750
   0.98148166  0.91671999  0.68200136
   0.72309285  0.94299038  0.61782625
   0.81892377  0.75915262  0.91522743
   0.47477913  0.73547870  0.94424061
   4.84687542  3.86767780  1.89717159
   1.42826454 -0.63243016  2.75190354
   1.84687882  1.03224695  2.89668465
   2.17092847  4.02107817 -1.49794849
  -4.89969681 -0.37775861 -2.28582165
   2.06023862 -2.83799278  3.74489770
  -0.48279058 -0.68547039 -1.13591867
  -0.52109325 -0.66303266 -0.56507144
   0.22490742  0.79468153 -2.02776848
   5.36949173  3.20670236 -0.44270937
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.408113   -3.450316   -0.808297
    -0.000000   24.178671    3.487879
    -0.000000    0.000000   20.957129
   Si   O    H 
    32    64    10
Direct configuration=  3970
   0.13934455  0.23927516 -0.02034149
   0.35573172  0.12121954  0.42080864
   0.26277924  0.50001084 -0.01195983
   0.86473489 -0.11660529  0.51049673
   0.18060229 -0.24370957  0.10884151
   0.28467817  0.01651691  0.82817595
   0.22791659  0.35936083  0.65309770
   0.32983528  0.40291152  0.77243762
   0.10239080  0.71288702  0.00638657
   0.38628537  0.60876550  0.41218097
   0.15706849  1.00697918  0.12986462
   0.35697773  0.89840600  0.27069481
   0.12867294  0.63894380  0.50862874
   0.37283387  0.77386797  0.88809084
   0.10402561  0.93846448  0.62015938
   0.34080268  0.93545328  0.74440781
   0.53824436  0.02228500  0.95922378
   0.78342222  0.15779363  0.40909005
   0.73173389  0.45901096  0.07669144
   0.97206252  0.44573865  0.20831303
   0.60122614  0.20676601  0.37439057
   0.82638324  0.16799763  0.91131162
   0.53655677  0.39201306  0.61371396
   0.86218014  0.43943989  0.77035433
   0.48133835  0.67238347  0.03345955
   0.51444679  0.40249306  0.50174990
   0.56543521  0.90744279  0.13336111
   0.82581028  0.49525042 -0.19221952
   0.62542867  0.64103418  0.54951408
   0.88431398  0.67800517  0.92469688
   0.56963694  0.94197958  0.65790391
   0.89849791  0.87570736  0.82309629
   0.07013790 -0.00239706  0.06103565
   0.34691268  0.18319259  0.33697318
   0.13952906  0.26848862  0.11547457
   0.40050508  0.59873079  0.28790433
   0.49677663  0.31222957  0.16879755
   0.17760451  0.40713402  0.21084429
   0.20734487  0.06553110  0.50025699
  -0.12319668  0.13491037  0.41710923
   0.07528562 -0.03561796  0.51805639
   0.28561946  0.32623902  0.79956879
   0.11225709  0.37350022  0.59730957
   0.42689676  0.46781975  0.77296589
   0.42582338  0.40449999  0.64362043
   0.23578622  0.41857979  0.69174443
   0.24913256  0.07628398 -0.15244212
   0.04501026  0.10169818  0.89151650
   0.13456940  0.64680697  0.03431064
   0.29654693  0.82280804  0.29801793
   0.10456158  0.78547466  0.05858276
   0.45559085  0.95244292  0.30633148
   0.42852481  0.89490600  0.15120447
   0.21526488  0.92077908  0.13483414
   0.28839984  0.67373854  0.34906589
  -0.04958521  0.60162517  0.48491841
   0.30695791  0.40188050  0.55182888
   0.35339421  0.87249623  0.75791663
   0.11373802  0.70647221  0.49925100
   0.34419255  0.98525049  0.77810521
   0.48256554  0.98089257  0.65198950
   0.25531668  0.91884438  0.67165300
   0.23953566  0.78144137 -0.04245275
   0.01131477  0.74626539  0.97033867
   0.55435221 -0.04339020 -0.03621515
   0.96154056  0.28861339  0.16838766
   0.85170312  0.42851011 -0.00630056
   0.65696914  0.42175422  0.41254303
  -0.09409524  0.40760710  0.16802930
   0.66386205  0.47924328  0.13571347
   0.67216398  0.24949878  0.35215148
   0.43882144  0.10991237  0.47196949
   0.68368847  0.08347973  0.56401802
   1.01996338  0.31620647  0.73131811
   0.55704984  0.33341004  0.54079465
   0.82448675  0.59442734  0.94253815
   1.18945414  0.54687593  0.54561920
   0.64128218  0.46203363  0.70039603
   0.80321061  0.12978945  0.85369344
   0.39556105  0.01031856  0.92146846
   0.52148125  0.62399864  0.00429770
   0.78614388  0.78471298  0.24946197
   0.38402494  0.50603594  0.19404324
   0.85014742  0.94502818  0.35044702
   0.85218424  0.92478751  0.03396038
   0.64078743  0.86575005  0.20140914
   1.00246152  0.88691849  0.26782957
   0.54038570  0.68799966  0.39190914
   0.66957676  0.56778915  0.51854754
   0.92052394  0.81227518  0.83831407
   0.60739688  1.44142248  2.03501278
   0.81597934  0.90969814  0.82358580
   0.98519051  0.91788531  0.68500855
   0.72211360  0.94400362  0.62144211
   0.82462472  0.76798857  0.91293544
   0.47523313  0.73448255  0.94660089
   5.03927354  3.87621576  1.84836839
   1.44546557 -0.56070919  2.74630094
   1.86268641  1.04567153  2.89605739
   2.21192700  4.04203027 -1.49376627
  -4.89274300 -0.37858167 -2.27933050
   2.09675764 -2.89494721  3.79844882
  -0.44592404 -0.73004497 -1.18821532
  -0.56202292 -0.83385543 -0.60025444
   0.16620312  0.88883255 -2.30200058
   5.38215317  3.33422292 -0.31385394
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.434072   -3.415119   -0.920624
    -0.000000   24.253184    3.361812
    -0.000000    0.000000   21.337682
   Si   O    H 
    32    64    10
Direct configuration=  3971
   0.13922862  0.24262140 -0.01806229
   0.34788928  0.11460461  0.42253390
   0.26786962  0.50300839 -0.01231458
   0.86826283 -0.11733501  0.51069146
   0.17824705 -0.24411161  0.10641006
   0.28403860  0.01604959  0.82757254
   0.22685836  0.35795426  0.65564230
   0.32917139  0.40280830  0.77342970
   0.10227766  0.71522397  0.00693444
   0.38669890  0.60403839  0.41551256
   0.15561240  1.00596349  0.12844764
   0.35596030  0.89767539  0.27199389
   0.13222810  0.64023046  0.50941046
   0.37151527  0.77475614  0.88870050
   0.10126996  0.93919103  0.62227309
   0.33943846  0.93688747  0.74417708
   0.53869734  0.02375631  0.95583556
   0.78288713  0.15721463  0.41004047
   0.73560563  0.46633336  0.08554516
   0.97795307  0.44918231  0.21210156
   0.60180617  0.20561521  0.37665887
   0.82854900  0.16746447  0.91043879
   0.53734102  0.39575731  0.61038292
   0.86234857  0.43873208  0.77064721
   0.47976662  0.67344097  0.03082004
   0.51549559  0.40420989  0.50717889
   0.56332681  0.90722404  0.13489636
   0.82688684  0.48324835 -0.21287007
   0.62855366  0.64474539  0.55252938
   0.89014237  0.67822684  0.92280390
   0.56743079  0.93941390  0.65962355
   0.89138595  0.87354609  0.82520683
   0.06860444 -0.00562394  0.05966857
   0.34279422  0.18439246  0.33702170
   0.13087533  0.26430899  0.11418808
   0.39928220  0.59905019  0.28716664
   0.49991099  0.30838359  0.17333955
   0.17324262  0.40604421  0.21126991
   0.20438890  0.05938687  0.49817242
  -0.12472466  0.13542778  0.41721220
   0.08214342 -0.02810596  0.51574630
   0.28057513  0.32380699  0.79553136
   0.11799797  0.37602213  0.59707178
   0.42606575  0.46877891  0.77546766
   0.42518357  0.40135456  0.63614386
   0.23832313  0.42066132  0.69186763
   0.24426228  0.07440373 -0.15048700
   0.04273688  0.09947268  0.88806883
   0.13361424  0.64860641  0.03441751
   0.29765648  0.82201659  0.29628004
   0.10817084  0.78730901  0.05904155
   0.45953066  0.95269854  0.30511474
   0.42808800  0.89411489  0.14989233
   0.21359277  0.92284487  0.13208395
   0.28881219  0.67545156  0.34745871
  -0.05314189  0.59917859  0.48539522
   0.30438423  0.40099229  0.55485877
   0.35748401  0.87409544  0.75767644
   0.11384175  0.70738661  0.49915439
   0.34378749  0.98270841  0.77593859
   0.47832037  0.98151843  0.65432153
   0.26349433  0.91835370  0.67633701
   0.23860754  0.77857487 -0.04247396
   0.01646968  0.74664059  0.97134600
   0.55086231 -0.04834987 -0.03850266
   0.97479560  0.29555394  0.16690034
   0.87096658  0.43442628 -0.00535356
   0.65205675  0.41839223  0.41636700
  -0.09782236  0.39902080  0.16826724
   0.66347301  0.48807482  0.13925088
   0.67410969  0.25003505  0.35152322
   0.43990548  0.10879315  0.47263982
   0.68231975  0.08347200  0.56318907
   1.02051635  0.31911794  0.72716934
   0.55499992  0.33217302  0.53891557
   0.81411347  0.58319223  0.94876877
   1.18393682  0.54449737  0.54477960
   0.63856751  0.46172535  0.69643425
   0.80677144  0.12873065  0.85683755
   0.39204766  0.00924752  0.92062005
   0.51714867  0.62189979  0.00412744
   0.78978832  0.78452957  0.24622142
   0.36964728  0.48933921  0.20044808
   0.85219681  0.94933987  0.35087489
   0.86036961  0.92656148  0.03289759
   0.63677580  0.86386184  0.20095640
   1.00711557  0.88745097  0.26519949
   0.54150180  0.69226781  0.38783400
   0.67004439  0.56771841  0.51658998
   0.91761491  0.81244906  0.84103501
   0.59203240  1.45814963  2.05181210
   0.80970516  0.90588067  0.82009986
   0.98813257  0.91956123  0.68615566
   0.72294481  0.94540942  0.62572017
   0.83157682  0.77710726  0.91189284
   0.47570023  0.73345893  0.94889250
   5.28822601  3.87006425  1.82692918
   1.50880422 -0.51367117  2.67450122
   1.83939948  1.04990474  2.88508576
   2.16892019  4.00153737 -1.47659723
  -4.90801625 -0.38876842 -2.27759486
   2.15128879 -2.94845511  3.83750759
  -0.39334810 -0.75469105 -1.23946254
  -0.47123558 -0.90341139 -0.67686825
   0.08974795  0.95873268 -2.55544354
   5.43065745  3.46328782 -0.18010217
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.457956   -3.381399   -1.031366
    -0.000000   24.325797    3.240702
    -0.000000    0.000000   21.712459
   Si   O    H 
    32    64    10
Direct configuration=  3972
   0.13909708  0.24612473 -0.01641997
   0.34096280  0.10896781  0.42355637
   0.27333632  0.50634823 -0.01278237
   0.87020054 -0.11906935  0.51226770
   0.17590319 -0.24436988  0.10354841
   0.28375405  0.01585171  0.82738853
   0.22548086  0.35593548  0.65868849
   0.32797610  0.40216803  0.77329834
   0.10379838  0.71773506  0.00814678
   0.38814928  0.59977187  0.41829452
   0.15313043  1.00524329  0.12694081
   0.35387092  0.89662536  0.27340692
   0.13638377  0.64198407  0.51020427
   0.37035986  0.77518068  0.88997501
   0.09782522  0.93911494  0.62524107
   0.33788325  0.93799428  0.74413120
   0.53705023  0.02400078  0.95243869
   0.78248029  0.15676724  0.41118441
   0.74172433  0.47230218  0.09230610
   0.98275261  0.45214876  0.21513213
   0.59734738  0.20331533  0.38021043
   0.82988949  0.16747033  0.90810988
   0.53870481  0.40049892  0.60414569
   0.86160227  0.43836109  0.77078706
   0.47864888  0.67459841  0.02819268
   0.51599357  0.40412105  0.51729735
   0.56168383  0.90748973  0.13579268
   0.82593610  0.47180294 -0.23168343
   0.63217241  0.64729482  0.55483185
   0.89425287  0.67735762  0.92105677
   0.56468627  0.93713942  0.66172448
   0.88328057  0.87191991  0.82683556
   0.06560297 -0.01002789  0.05891017
   0.34114167  0.18505859  0.33793542
   0.12077441  0.25936851  0.11354094
   0.39871982  0.60018293  0.28811732
   0.50411730  0.30335989  0.17874585
   0.16590605  0.40380952  0.21247378
   0.20356492  0.05555636  0.49461262
  -0.12449898  0.13522286  0.41773475
   0.08252842 -0.02291499  0.51372718
   0.27692867  0.32359932  0.79181552
   0.12243024  0.37864666  0.59666714
   0.42254093  0.46840227  0.77907224
   0.42030225  0.39852885  0.62724990
   0.24235466  0.42412169  0.69316193
   0.23521969  0.06951848 -0.15024385
   0.03628445  0.09856072  0.88506839
   0.13186094  0.65076951  0.03427506
   0.29867297  0.82113981  0.29454773
   0.11118430  0.78825559  0.05855600
   0.46602861  0.95426601  0.30377129
   0.42866179  0.89309173  0.14909487
   0.21139330  0.92480162  0.12956366
   0.29431332  0.67596945  0.34586222
  -0.05830297  0.59658796  0.48582923
   0.30372372  0.39991768  0.55796295
   0.36139825  0.87696546  0.75598055
   0.11393876  0.70796303  0.49900654
   0.34306493  0.98000311  0.77385785
   0.47507018  0.98102665  0.65709026
   0.27258958  0.91828889  0.68203232
   0.23747688  0.77668976 -0.04197594
   0.02336073  0.74692782  0.97302997
   0.54759000 -0.05185121 -0.04055741
   0.99097432  0.30238534  0.16510791
   0.88818366  0.44026595 -0.00274923
   0.64865528  0.41460837  0.41903254
  -0.10240944  0.39221683  0.16720988
   0.65521906  0.49379030  0.13355165
   0.67986350  0.25295610  0.34941684
   0.43972111  0.10775445  0.47372424
   0.68067537  0.08345478  0.56243743
   1.02267642  0.32207483  0.72249782
   0.55350195  0.33204832  0.53588408
   0.80697021  0.57478314  0.95331211
   1.17489103  0.54108872  0.54596163
   0.63710758  0.45987802  0.69356553
   0.81359629  0.12448730  0.86337501
   0.39249516  0.00764884  0.92145416
   0.51152549  0.62030325  0.00411056
   0.79371840  0.78505067  0.24307675
   0.35600604  0.47639324  0.20792833
   0.85522643  0.95429544  0.34998455
   0.87215794  0.92901876  0.03248445
   0.63149317  0.86176188  0.20091066
   1.01044902  0.88779836  0.26257328
   0.53767050  0.69591196  0.38244245
   0.67397011  0.57056225  0.51466929
   0.91725935  0.81137605  0.84354184
   0.58437608  1.47640414  2.07599708
   0.80450914  0.90463050  0.81453563
   0.99140948  0.92118713  0.68669327
   0.72570327  0.94692310  0.63037160
   0.83896928  0.78424333  0.91270041
   0.47729805  0.73223197  0.95163215
   5.49933961  3.88196463  1.79541231
   1.56287022 -0.48297163  2.61092497
   1.77575188  1.08287483  2.84016464
   2.21873901  3.97574160 -1.47265714
  -4.92050000 -0.38797342 -2.28719618
   2.25386996 -2.98164024  3.87208996
  -0.32306999 -0.76921053 -1.28436460
  -0.42796819 -0.99430455 -0.76169862
   0.06096696  1.03717487 -2.75615849
   5.51237104  3.58548154 -0.05684942
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.479937   -3.349504   -1.140003
    -0.000000   24.396882    3.124545
    -0.000000    0.000000   22.081611
   Si   O    H 
    32    64    10
Direct configuration=  3973
   0.13864398  0.24967380 -0.01567748
   0.33419613  0.10376039  0.42428600
   0.27794766  0.50904658 -0.01334770
   0.87168327 -0.12114858  0.51424165
   0.17465945 -0.24482334  0.10115534
   0.28613747  0.01373475  0.82657941
   0.22438058  0.35379603  0.66164625
   0.32726312  0.40146839  0.77334374
   0.10664756  0.71992885  0.01006220
   0.39051723  0.59598910  0.42079050
   0.15130367  1.00437450  0.12461836
   0.35171336  0.89556626  0.27603255
   0.14026391  0.64391235  0.51105018
   0.37030753  0.77601388  0.89051446
   0.09542260  0.93907717  0.62889203
   0.33665610  0.93871125  0.74396388
   0.53203867  0.02308166  0.94903192
   0.78151688  0.15664423  0.41229211
   0.75277160  0.47607285  0.09519458
   0.98714262  0.45463137  0.21756849
   0.59444398  0.20303393  0.38263450
   0.83114360  0.16796202  0.90660220
   0.54099537  0.40598465  0.59766668
   0.86009417  0.43824670  0.77071101
   0.47766124  0.67562390  0.02534163
   0.51481830  0.40331172  0.52736587
   0.55901481  0.90717374  0.13677133
   0.82471750  0.46094022 -0.24837521
   0.63450477  0.64903861  0.55619681
   0.89730228  0.67539256  0.91996922
   0.56099647  0.93663575  0.66258746
   0.87387025  0.87143852  0.82756568
   0.06069001 -0.01518206  0.05974853
   0.34120311  0.18596987  0.33849699
   0.10960038  0.25398817  0.11319523
   0.39861125  0.60326703  0.29124165
   0.50882473  0.29915440  0.18295294
   0.15516892  0.40088245  0.21422481
   0.20364550  0.05148850  0.49094238
  -0.12163627  0.13440603  0.41839648
   0.08298230 -0.01714291  0.51273449
   0.27433758  0.32476406  0.78778527
   0.12427834  0.38166349  0.59591871
   0.41790481  0.46677095  0.78261967
   0.41008754  0.39654104  0.61848414
   0.24540704  0.42778293  0.69629732
   0.22373908  0.07145638 -0.14938795
   0.02676348  0.09805277  0.88098979
   0.12892791  0.65306919  0.03375357
   0.29857223  0.82016366  0.29211286
   0.11165977  0.78880503  0.05690043
   0.47194392  0.95522811  0.29925907
   0.43215966  0.89251360  0.14858489
   0.20837116  0.92675497  0.12719448
   0.30627013  0.67506162  0.34436869
  -0.06322400  0.59417124  0.48644440
   0.30848328  0.39826413  0.56214834
   0.36479969  0.88167708  0.75410600
   0.11321761  0.70844803  0.49871881
   0.34377399  0.97681315  0.77033333
   0.47437541  0.97854800  0.66081098
   0.27842962  0.91795503  0.68789357
   0.23352472  0.77527001 -0.04084579
   0.03052454  0.74602985  0.97523275
   0.54405881 -0.05382477 -0.04321089
   1.00854116  0.30799159  0.16339595
   0.90178893  0.44596957  0.00147856
   0.64523165  0.40991746  0.42143724
  -0.10826322  0.38794970  0.16474299
   0.66013772  0.50564621  0.14860467
   0.68039857  0.25231962  0.34901028
   0.43782570  0.10632011  0.47557570
   0.67847457  0.08309029  0.56200116
   1.02932051  0.32583093  0.71798891
   0.55428304  0.33199062  0.53065632
   0.80284513  0.56858482  0.95704675
   1.16370884  0.53730542  0.54809188
   0.63722212  0.45686180  0.69192543
   0.82203241  0.12024574  0.86906983
   0.39818928  0.00631175  0.92448387
   0.50612743  0.61895148  0.00353611
   0.79883502  0.78697991  0.23972042
   0.34561422  0.46636879  0.21578695
   0.85977245  0.96078165  0.34709641
   0.88654573  0.93188546  0.03278356
   0.62610243  0.85934640  0.20086146
   1.01237071  0.88870488  0.26042742
   0.52736042  0.69787469  0.37620348
   0.67825643  0.57490487  0.51277075
   0.91996480  0.80925354  0.84475610
   0.55783605  1.48797653  2.08075707
   0.80024441  0.90646093  0.80703855
   0.99613520  0.92287916  0.68737479
   0.73100392  0.94827008  0.63533090
   0.84661823  0.78890485  0.91583201
   0.48044353  0.73097602  0.95366628
   5.65611902  3.88035456  1.79638756
   1.60447107 -0.43578830  2.56985449
   1.72455470  1.09618344  2.78816581
   2.31121526  3.95133698 -1.47097026
  -4.92246374 -0.37767331 -2.29701172
   2.32032564 -3.04367492  3.91962180
  -0.29095912 -0.78907050 -1.30987392
  -0.39781473 -1.06664366 -0.81406156
   0.01039580  1.08022480 -2.89193875
   5.60556157  3.72510598  0.07748258
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.500714   -3.318965   -1.246396
    -0.000000   24.466756    3.012937
    -0.000000    0.000000   22.445159
   Si   O    H 
    32    64    10
Direct configuration=  3974
   0.13816141  0.25325830 -0.01550247
   0.32848316  0.09981838  0.42385673
   0.28254347  0.51168800 -0.01408785
   0.87257594 -0.12400765  0.51632707
   0.17466686 -0.24520247  0.09903650
   0.28869941  0.01140438  0.82633738
   0.22432789  0.35170213  0.66459689
   0.32683881  0.40113016  0.77364642
   0.11196138  0.72157617  0.01330741
   0.39349682  0.59274470  0.42262755
   0.15050474  1.00274087  0.12249208
   0.34850771  0.89468984  0.27909924
   0.14346173  0.64524340  0.51199216
   0.37116841  0.77696819  0.89063656
   0.09470880  0.93941046  0.63227356
   0.33571293  0.93653941  0.74203602
   0.52464430  0.02138062  0.94581582
   0.78060913  0.15636824  0.41318163
   0.76417186  0.47799901  0.09464916
   0.99296250  0.45734037  0.22000601
   0.59305013  0.20400112  0.38388407
   0.83386390  0.16860759  0.90559409
   0.54749203  0.41105363  0.59637327
   0.85842611  0.43856575  0.77031070
   0.47658539  0.67647180  0.02332664
   0.51175100  0.40244290  0.53024492
   0.55550978  0.90458288  0.13360023
   0.82268791  0.45081636 -0.26314690
   0.63648785  0.65039185  0.55689787
   0.89872974  0.67288782  0.91943339
   0.55602112  0.93685724  0.66273910
   0.86300469  0.87198913  0.82798547
   0.05368475 -0.02020537  0.06055443
   0.34297172  0.18649036  0.33991241
   0.09897665  0.24847394  0.11333101
   0.39862744  0.61012427  0.29716304
   0.51407685  0.29565256  0.18596066
   0.14320050  0.39795101  0.21662780
   0.20311026  0.04736933  0.48893472
  -0.11873053  0.13305270  0.41922806
   0.08374097 -0.00995873  0.51005264
   0.27152837  0.32698863  0.78344930
   0.11945057  0.38468402  0.59551470
   0.41412202  0.46394948  0.78570017
   0.39744206  0.39371530  0.61586208
   0.24656932  0.43084718  0.70063997
   0.20993772  0.07318648 -0.14855588
   0.02119016  0.09853856  0.87606943
   0.12497177  0.65577648  0.03321415
   0.29845342  0.82043109  0.28833785
   0.10977540  0.78951614  0.05457526
   0.47678488  0.95600142  0.29548020
   0.42867716  0.89047640  0.14888107
   0.20638255  0.92937048  0.12607751
   0.32404255  0.67173313  0.34404705
  -0.06684901  0.59255166  0.48689604
   0.31110614  0.39646391  0.56313734
   0.36884003  0.88535551  0.75272614
   0.11214332  0.70882325  0.49821589
   0.34393831  0.98038679  0.77181893
   0.47589849  0.97549700  0.66415723
   0.28004114  0.91701085  0.69112084
   0.22741042  0.77407682 -0.03973104
   0.03566983  0.74483777  0.97694645
   0.53966673 -0.05504867 -0.04530864
   1.02587733  0.31278977  0.16201682
   0.91116047  0.45185510  0.00687828
   0.64084158  0.40391647  0.42473157
  -0.11647659  0.38373654  0.15978172
   0.64902451  0.51727180  0.15964987
   0.67576847  0.24881822  0.35052320
   0.43299712  0.10454325  0.47752605
   0.67678431  0.08209477  0.56102024
   1.03963954  0.33011740  0.71367091
   0.55714625  0.33202274  0.52347626
   0.80420681  0.56367312  0.95950748
   1.15187715  0.53362329  0.54971153
   0.63938123  0.45347991  0.69133539
   0.82321154  0.11526831  0.86991046
   0.41046978  0.00472593  0.92820669
   0.49941502  0.61885590  0.00164690
   0.80358736  0.78940956  0.23628113
   0.33416566  0.45684600  0.22479252
   0.86426728  0.96732496  0.34351940
   0.90209440  0.93504872  0.03409427
   0.61987649  0.85624742  0.20026014
   1.01459214  0.88936814  0.25945543
   0.51149798  0.69732356  0.37016497
   0.68265978  0.57964289  0.51230423
   0.92035252  0.80497904  0.84800232
   0.55078100  1.49831095  2.09132387
   0.79214241  0.90857148  0.79886088
   1.00081366  0.92420361  0.68935942
   0.73631486  0.94946689  0.64042628
   0.85792694  0.79272931  0.91652307
   0.48407493  0.72929706  0.95604089
   5.86843628  3.88908558  1.80905479
   1.67057281 -0.36644113  2.51676478
   1.73863870  1.12022149  2.78205455
   2.42151370  3.91242361 -1.46167497
  -4.93036325 -0.37250786 -2.29199542
   2.35176424 -3.09127448  3.95025263
  -0.27833930 -0.81077631 -1.30842725
  -0.22506100 -1.03672915 -0.76940680
  -0.05666332  1.12954170 -3.02103218
   5.70102552  3.85800294  0.18991662
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.519187   -3.288641   -1.349555
    -0.000000   24.530730    2.904328
    -0.000000    0.000000   22.799844
   Si   O    H 
    32    64    10
Direct configuration=  3975
   0.13784677  0.25657729 -0.01505138
   0.32342152  0.09606350  0.42353405
   0.28639083  0.51413948 -0.01466864
   0.87338070 -0.12663541  0.51825183
   0.17470265 -0.24591171  0.09767203
   0.29071096  0.00935726  0.82623013
   0.22461154  0.34997369  0.66741875
   0.32614724  0.40056829  0.77366825
   0.11795603  0.72224740  0.01664953
   0.39667388  0.58994559  0.42403002
   0.14928674  1.00095868  0.12046602
   0.34532096  0.89352591  0.28172165
   0.14566806  0.64683976  0.51273623
   0.37184480  0.77775958  0.89097314
   0.09395698  0.93973187  0.63533468
   0.33588874  0.93420515  0.74068253
   0.51953065  0.01982703  0.94345794
   0.77940941  0.15618521  0.41392720
   0.77466929  0.47970698  0.09439727
   0.99787926  0.45949476  0.22227286
   0.59117390  0.20436450  0.38501281
   0.83656714  0.16900787  0.90477812
   0.55445555  0.41591120  0.59723681
   0.86863987  0.43472281  0.78089455
   0.47514917  0.67687673  0.02141001
   0.50867554  0.40123082  0.53056559
   0.55277964  0.90217441  0.13066276
   0.80831074  0.44553891 -0.28727675
   0.63810058  0.65171647  0.55818450
   0.90047240  0.67083002  0.91904038
   0.55101647  0.93695148  0.66300258
   0.85136039  0.86485402  0.83651885
   0.04859657 -0.02431016  0.06160022
   0.34439877  0.18653318  0.34139956
   0.08906040  0.24307021  0.11324534
   0.39841712  0.61637097  0.30252170
   0.51886002  0.29259379  0.18867015
   0.13158682  0.39561942  0.21854671
   0.20351282  0.04434549  0.48723970
  -0.11540382  0.13168445  0.41986784
   0.08417600 -0.00377812  0.50802295
   0.26911292  0.32918622  0.77973147
   0.11515936  0.38758114  0.59531857
   0.40965499  0.46112960  0.78840744
   0.38674649  0.39065137  0.61443411
   0.24814752  0.43341145  0.70431103
   0.19748366  0.07465467 -0.14792079
   0.01581752  0.09867585  0.87207394
   0.12219039  0.65835398  0.03269730
   0.29831206  0.82117894  0.28487549
   0.10812992  0.79062937  0.05232611
   0.48028335  0.95656770  0.29190177
   0.42587867  0.88872549  0.14953790
   0.20499460  0.93204239  0.12535042
   0.34013493  0.66859147  0.34435582
  -0.07003221  0.59129488  0.48731674
   0.31169859  0.39484773  0.56328445
   0.37323488  0.88737873  0.75196790
   0.11132411  0.70853069  0.49787401
   0.34426168  0.98659123  0.77479904
   0.47807663  0.97296227  0.66705764
   0.27857828  0.91553757  0.69125851
   0.22214512  0.77325713 -0.03889631
   0.03788434  0.74423648  0.97709205
   0.53552647 -0.05605093 -0.04717920
   1.04146878  0.31695312  0.16093667
   0.91976792  0.45718716  0.01162827
   0.63702444  0.39866821  0.42739623
  -0.12410327  0.37994652  0.15485529
   0.63922907  0.52768144  0.16924295
   0.67287443  0.24660299  0.35127527
   0.42855218  0.10303112  0.47933887
   0.67540508  0.08093496  0.55990666
   1.04903285  0.33404781  0.70980973
   0.55958382  0.33237623  0.51736465
   0.80571817  0.55945149  0.96147819
   1.14179562  0.53069870  0.55092303
   0.64129964  0.45025364  0.69047081
   0.82423955  0.11090521  0.87127249
   0.41864598  0.00268015  0.93086885
   0.49322579  0.61915317 -0.00005762
   0.80834112  0.79146856  0.23344965
   0.32366074  0.44832575  0.23298968
   0.86837966  0.97326794  0.34055352
   0.91494124  0.93743501  0.03539098
   0.61358186  0.85365280  0.19995616
   1.01686039  0.89034823  0.25855951
   0.49715615  0.69657768  0.36476025
   0.68667059  0.58431048  0.51201207
   0.92070968  0.80123257  0.85028481
   0.54413033  1.50764037  2.10018323
   0.78342298  0.91091353  0.79192370
   1.00506158  0.92507475  0.69082049
   0.74127396  0.95051641  0.64537967
   0.86694148  0.79594884  0.91728607
   0.48660579  0.72754998  0.95803068
   6.12434320  4.09464215  1.59322851
   1.74870281 -0.31886158  2.45377247
   1.75136837  1.14433450  2.77446496
   2.52249428  3.87696851 -1.45149626
  -4.93591994 -0.36656724 -2.28709159
   2.38310011 -3.13422904  3.97471032
  -0.26459263 -0.83214649 -1.30504327
  -0.06837191 -1.01124830 -0.72792422
  -0.11791713  1.17542270 -3.13668684
   5.78782743  3.97327949  0.28753288
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.537414   -3.257472   -1.450209
    -0.000000   24.594322    2.799185
    -0.000000    0.000000   23.150209
   Si   O    H 
    32    64    10
Direct configuration=  3976
   0.13816126  0.26053137 -0.01492150
   0.31946820  0.09304628  0.42285476
   0.28919617  0.51585799 -0.01525568
   0.87465633 -0.12909941  0.52018314
   0.17434385 -0.24689431  0.09617881
   0.29301050  0.00792223  0.82584929
   0.22551209  0.34894279  0.67089243
   0.32577160  0.40056980  0.77352734
   0.12360454  0.72274137  0.01961441
   0.40000121  0.58901805  0.42438548
   0.14728184  0.99850686  0.11802288
   0.34236178  0.89292713  0.28385490
   0.14635585  0.64877970  0.51401457
   0.37469305  0.77928326  0.89169773
   0.09485822  0.94044571  0.63722661
   0.33771463  0.93423529  0.74046981
   0.52268446  0.01953605  0.94226467
   0.77825772  0.15605086  0.41432100
   0.78155235  0.48169321  0.09448560
   1.00227608  0.46139731  0.22393064
   0.58934689  0.20408610  0.38638831
   0.83364837  0.16884923  0.90617016
   0.55588530  0.42097570  0.59762330
   0.87901122  0.43210826  0.79037247
   0.47363943  0.67683315  0.02129215
   0.50947007  0.40215448  0.53156760
   0.54964352  0.89992319  0.12842796
   0.79507766  0.44216377 -0.30894079
   0.63804916  0.65226867  0.55942051
   0.90277913  0.66851066  0.91843325
   0.54953033  0.93795002  0.66544947
   0.84069572  0.85848594  0.84384907
   0.04269474 -0.02714839  0.06261278
   0.34606123  0.18663344  0.34252568
   0.07854673  0.23595129  0.11449406
   0.39749234  0.61590299  0.30346649
   0.52218765  0.28933550  0.19065377
   0.12122729  0.39302976  0.21977680
   0.20098358  0.04047031  0.48635156
  -0.11169697  0.12943441  0.42083541
   0.08749864  0.00135987  0.50456325
   0.26552162  0.33149176  0.77470029
   0.10954328  0.38944491  0.59613134
   0.40662735  0.45806431  0.79022355
   0.38961025  0.38809240  0.61853061
   0.24811785  0.43457675  0.70817470
   0.18627144  0.07553778 -0.14680921
   0.01295312  0.10087521  0.86889746
   0.12154851  0.66198196  0.03319975
   0.29787271  0.82198181  0.28123831
   0.10454891  0.79038918  0.05099565
   0.48219171  0.95670763  0.28801727
   0.42610587  0.88726638  0.15002692
   0.20358532  0.93529627  0.12502317
   0.34185670  0.66534123  0.34737391
  -0.07151456  0.59039260  0.48745178
   0.30413073  0.39318726  0.55929040
   0.37867157  0.88754035  0.75198864
   0.11080561  0.70718157  0.49762464
   0.34191944  0.99130346  0.77785262
   0.47824861  0.97094627  0.66745648
   0.27180007  0.91322374  0.68790164
   0.21526362  0.77060013 -0.03855798
   0.04141524  0.74369549  0.97853882
   0.52814384 -0.05427081 -0.05004506
   1.05357812  0.32211731  0.15855041
   0.92597361  0.46304483  0.01626610
   0.63138670  0.39124861  0.43191946
  -0.12747246  0.37554795  0.15025288
   0.63062436  0.53798925  0.17892445
   0.66879244  0.24394118  0.35278483
   0.42366674  0.10202571  0.48053526
   0.67420661  0.07938252  0.55907489
   1.05826913  0.33766797  0.70530893
   0.56449475  0.33128719  0.50794666
   0.80974885  0.55475256  0.96265631
   1.13245430  0.52855813  0.55168001
   0.64267406  0.44571046  0.68864310
   0.82561477  0.10872182  0.87269763
   0.41560819 -0.00287131  0.93360365
   0.48889848  0.61828632 -0.00147830
   0.81207491  0.79275778  0.23021044
   0.31388542  0.44144340  0.24171199
   0.87631172  0.97955428  0.33504032
   0.92961623  0.93973321  0.03762310
   0.60786129  0.85115317  0.20043878
   1.02046503  0.89075667  0.25775824
   0.49799655  0.69915847  0.36503405
   0.68799626  0.58637549  0.51329117
   0.91792538  0.79863834  0.85350964
   0.54061804  1.51618199  2.10555384
   0.77563750  0.91284966  0.78618414
   1.00763812  0.92566402  0.69281679
   0.74319053  0.95141723  0.64900766
   0.87656186  0.80013236  0.91516639
   0.48685614  0.72771080  0.95714088
   6.33805393  4.28856855  1.42858777
   1.90009956 -0.23146411  2.35313134
   1.80456930  1.21667380  2.76399810
   2.62644085  3.82919691 -1.46869127
  -4.96969965 -0.39970464 -2.28478178
   2.39478460 -3.20912281  3.98580916
  -0.25283760 -0.86637729 -1.25625480
  -0.05135535 -0.99540822 -0.63441735
  -0.08904237  1.15682419 -3.35838193
   5.93614430  4.10021596  0.35815012
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.552276   -3.224857   -1.549572
    -0.000000   24.652268    2.696329
    -0.000000    0.000000   23.492268
   Si   O    H 
    32    64    10
Direct configuration=  3977
   0.13829265  0.26395277 -0.01472045
   0.31606815  0.09035622  0.42248897
   0.29124065  0.51729855 -0.01575153
   0.87607841 -0.13124704  0.52194809
   0.17404502 -0.24771109  0.09528460
   0.29458740  0.00687074  0.82579495
   0.22617281  0.34819158  0.67403634
   0.32544264  0.40017601  0.77325868
   0.12851268  0.72295841  0.02212155
   0.40305650  0.58818787  0.42444832
   0.14599431  0.99593153  0.11598434
   0.34032124  0.89178854  0.28562169
   0.14660374  0.65062145  0.51483785
   0.37755546  0.78057855  0.89244146
   0.09600860  0.94112923  0.63902727
   0.33920219  0.93555630  0.74054579
   0.52854668  0.01964443  0.94157362
   0.77724953  0.15608057  0.41460433
   0.78784970  0.48372418  0.09451975
   1.00626356  0.46290282  0.22526879
   0.58713367  0.20340824  0.38803681
   0.83091602  0.16861661  0.90704472
   0.55838388  0.42627088  0.59919988
   0.88836821  0.42959312  0.79879331
   0.47276551  0.67676318  0.02120904
   0.50947375  0.40207179  0.53119250
   0.54649675  0.89781785  0.12634124
   0.78262072  0.43900091 -0.32788022
   0.63832049  0.65261038  0.56048871
   0.90497428  0.66671228  0.91774524
   0.54865897  0.93825845  0.66759527
   0.83110047  0.85283545  0.85025499
   0.03783973 -0.02893342  0.06366981
   0.34733709  0.18679107  0.34371269
   0.06908538  0.22915022  0.11539037
   0.39655787  0.61528654  0.30452284
   0.52442874  0.28656895  0.19244368
   0.11122894  0.39079028  0.22070660
   0.19912855  0.03738615  0.48518901
  -0.10921122  0.12731329  0.42171352
   0.08967557  0.00493238  0.50171726
   0.26291647  0.33333967  0.77050348
   0.10444255  0.39109442  0.59675041
   0.40399337  0.45553484  0.79191674
   0.39335054  0.38553901  0.62246008
   0.24832431  0.43569622  0.71121361
   0.17713870  0.07636208 -0.14596938
   0.01059668  0.10287196  0.86637359
   0.12117162  0.66465408  0.03394298
   0.29747498  0.82325840  0.27869197
   0.10206332  0.79011936  0.05024116
   0.48342671  0.95713567  0.28448882
   0.42598280  0.88594161  0.15009172
   0.20222288  0.93887525  0.12491013
   0.34289767  0.66223161  0.35004408
  -0.07278775  0.58969938  0.48783620
   0.29613090  0.39174286  0.55540999
   0.38550931  0.88619803  0.75237395
   0.11024659  0.70538089  0.49731373
   0.34055112  0.99488521  0.78021465
   0.47716113  0.97025157  0.66790983
   0.26404019  0.91042086  0.68333421
   0.20920436  0.76827274 -0.03848557
   0.04273685  0.74357546  0.97927764
   0.52168251 -0.05243649 -0.05284161
   1.06423206  0.32662403  0.15673421
   0.93174849  0.46820833  0.02031830
   0.62622971  0.38499962  0.43552831
  -0.13064561  0.37153817  0.14592725
   0.62240983  0.54761040  0.18733219
   0.66716816  0.24230759  0.35372159
   0.41955806  0.10132380  0.48150474
   0.67331565  0.07779431  0.55821656
   1.06684931  0.34106068  0.70133474
   0.56802418  0.33002147  0.49940769
   0.81336707  0.55090736  0.96366805
   1.12404495  0.52672788  0.55225023
   0.64382201  0.44157820  0.68699626
   0.82723631  0.10753820  0.87464755
   0.40850594 -0.00888067  0.93558091
   0.48478241  0.61778181 -0.00250587
   0.81558185  0.79376463  0.22746962
   0.30571763  0.43495370  0.24925370
   0.88388720  0.98540351  0.32968298
   0.94133159  0.94105369  0.03950837
   0.60313384  0.84898399  0.20072084
   1.02389650  0.89143257  0.25699248
   0.49972580  0.70160592  0.36584481
   0.68875295  0.58819905  0.51462223
   0.91467555  0.79573388  0.85631744
   0.53780208  1.52419755  2.10987963
   0.76852530  0.91471152  0.78109756
   1.00958343  0.92620886  0.69450343
   0.74450654  0.95196750  0.65185066
   0.88504463  0.80435613  0.91345341
   0.48623332  0.72797907  0.95642059
   6.52773437  4.46163639  1.28583823
   2.03591784 -0.15307440  2.26522271
   1.84965271  1.27778548  2.75468810
   2.72645766  3.78609392 -1.48356288
  -5.00036516 -0.43000250 -2.28255683
   2.40831721 -3.27656558  3.99260817
  -0.23824405 -0.89260210 -1.21380610
  -0.04072504 -0.97738248 -0.55237094
  -0.06576226  1.13770701 -3.55256286
   6.06663458  4.21350890  0.42250747
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.566131   -3.192218   -1.647024
    -0.000000   24.709530    2.595470
    -0.000000    0.000000   23.829412
   Si   O    H 
    32    64    10
Direct configuration=  3978
   0.13938284  0.26791296 -0.01395568
   0.31347816  0.08831915  0.42340233
   0.29311030  0.51812245 -0.01569383
   0.87505044 -0.13497751  0.52412014
   0.17370297 -0.24798193  0.09513193
   0.29629014  0.00530500  0.82418668
   0.22744141  0.34927927  0.67643939
   0.32456372  0.40023788  0.77265981
   0.13273313  0.72349897  0.02299045
   0.40627389  0.58757983  0.42541075
   0.14575495  0.99329979  0.11413583
   0.33886567  0.89101784  0.28702786
   0.14665713  0.65397636  0.51516432
   0.37917814  0.78253155  0.89267588
   0.09717100  0.94150264  0.64130823
   0.34018126  0.93856649  0.74221433
   0.53186219  0.01868540  0.94087379
   0.77914214  0.15534818  0.41522858
   0.79503210  0.48479241  0.09535714
   1.00948412  0.46492327  0.22612957
   0.58480941  0.20215137  0.38993038
   0.82918948  0.16846808  0.90718585
   0.55268861  0.42854268  0.59188632
   0.89730994  0.42628655  0.80844811
   0.47420950  0.67739959  0.02197150
   0.51489053  0.40444170  0.53696631
   0.54312306  0.89605850  0.12417889
   0.77038206  0.43544313 -0.34674587
   0.63779680  0.65390843  0.56051715
   0.90757558  0.66518958  0.91689539
   0.55066209  0.93792909  0.66967080
   0.82069799  0.84999065  0.85366812
   0.03697170 -0.02882463  0.06725063
   0.35012647  0.18618680  0.34472956
   0.06023715  0.22207384  0.11555366
   0.39522439  0.61391998  0.30397238
   0.52578848  0.28290129  0.19355827
   0.10371576  0.38924463  0.22238263
   0.19743703  0.03521166  0.48211501
  -0.11561402  0.12621166  0.42083154
   0.09217944  0.00814702  0.50006206
   0.25860261  0.33465587  0.76527213
   0.10283056  0.39124376  0.59846381
   0.40185870  0.45303325  0.79358235
   0.39971357  0.38409766  0.62491798
   0.24952438  0.43447941  0.71373278
   0.17111719  0.07618344 -0.14487748
   0.00318337  0.10479966  0.86358014
   0.12319745  0.66664801  0.03596070
   0.29799863  0.82324100  0.27611206
   0.09874478  0.78919632  0.05101511
   0.48480566  0.95707160  0.27991907
   0.42602456  0.88526688  0.15062371
   0.20310762  0.94264791  0.12606148
   0.34178514  0.66041828  0.35288356
  -0.07128431  0.58967047  0.48754353
   0.28901136  0.39049402  0.55266362
   0.39132780  0.88448362  0.75289239
   0.11053166  0.70124059  0.49785848
   0.33798697  0.99792321  0.78370731
   0.47314341  0.97224886  0.66622582
   0.25530176  0.90737556  0.67737039
   0.20589992  0.76539825 -0.04019523
   0.04728517  0.74187946  0.98218299
   0.51194304 -0.04878367 -0.05643909
   1.07210240  0.32819294  0.15350092
   0.93245250  0.47504999  0.02410145
   0.62130842  0.38164439  0.43825676
  -0.13349828  0.36811962  0.14156495
   0.61213657  0.55630386  0.19564296
   0.66414737  0.24038459  0.35473657
   0.41689703  0.10123331  0.48160480
   0.67281232  0.07578222  0.55782549
   1.07252912  0.34404195  0.69822150
   0.56837369  0.32690472  0.49473851
   0.81999336  0.54509311  0.96418997
   1.11598580  0.52531204  0.55255483
   0.64739501  0.43814689  0.68994363
   0.83045380  0.10658934  0.87608771
   0.40714922 -0.01465187  0.93887047
   0.47884895  0.61443065 -0.00402320
   0.81926233  0.79734517  0.22491286
   0.30083743  0.43037649  0.25672033
   0.89074568  0.98998084  0.32497606
   0.94439478  0.93990341  0.03894211
   0.60054979  0.84624143  0.20379969
   1.02366163  0.88908814  0.25639855
   0.50152567  0.70311379  0.36716171
   0.68855366  0.58932283  0.51611655
   0.92023922  0.79050655  0.84295125
   0.53490885  1.53194699  2.11250943
   0.76140390  0.91674515  0.77675907
   1.01153242  0.92634549  0.69557802
   0.74652659  0.95335157  0.65303073
   0.88502675  0.80875840  0.92895247
   0.49168641  0.72772087  0.95552017
   6.66373787  4.63657275  1.14798032
   2.16517118 -0.04582746  2.17839580
   1.87190775  1.32142344  2.76119080
   2.83035284  3.72748117 -1.48124756
  -4.99421845 -0.41727827 -2.29002757
   2.28027248 -3.32189101  4.01819243
  -0.19463377 -0.90964426 -1.16688000
   0.00970773 -0.97621693 -0.47837761
  -0.04324509  1.15060202 -3.71400744
   6.21361399  4.33231136  0.48556516
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.578733   -3.159758   -1.742903
    -0.000000   24.766358    2.497676
    -0.000000    0.000000   24.160988
   Si   O    H 
    32    64    10
Direct configuration=  3979
   0.14060755  0.27246750 -0.01307513
   0.31107266  0.08683643  0.42482448
   0.29398363  0.51719909 -0.01533933
   0.87342514 -0.13976737  0.52626741
   0.17229818 -0.24690377  0.09572073
   0.29124418  0.00434825  0.82859311
   0.22881288  0.35254578  0.67824557
   0.32263527  0.40070123  0.77188980
   0.13594025  0.72332407  0.02310345
   0.41029421  0.58715787  0.42704063
   0.14521351  0.98947850  0.11262115
   0.33656756  0.89017180  0.28844792
   0.14631808  0.65644480  0.51569347
   0.38150189  0.78477070  0.89231907
   0.09810577  0.94137401  0.64445594
   0.34047892  0.94385515  0.74621162
   0.53304064  0.01671206  0.94008435
   0.77907719  0.15540331  0.41560715
   0.80220204  0.48554137  0.09769480
   1.01276865  0.46716916  0.22682431
   0.58372676  0.20039751  0.39211697
   0.82772233  0.16746977  0.90712441
   0.55086302  0.43267930  0.59332044
   0.90630861  0.42355149  0.81727395
   0.47647120  0.67862270  0.02348658
   0.51450897  0.40382511  0.53790501
   0.53944058  0.89487631  0.12170063
   0.75807511  0.43210937 -0.36339573
   0.63460735  0.65347224  0.56011188
   0.91117535  0.66510179  0.91609879
   0.55280101  0.93755143  0.67184333
   0.80952166  0.85028260  0.85477238
   0.04006650 -0.02720980  0.07243393
   0.35207553  0.18494366  0.34597848
   0.05115431  0.21476051  0.11620922
   0.39219599  0.61073380  0.30174508
   0.52626632  0.27943054  0.19387030
   0.09659205  0.38893959  0.22531802
   0.19749689  0.03387918  0.47709427
  -0.11943409  0.12430603  0.42100470
   0.09444867  0.01130509  0.49890753
   0.25263063  0.33566808  0.75933991
   0.10466105  0.38943878  0.60220603
   0.39964018  0.45017609  0.79456211
   0.41286481  0.38448630  0.62393181
   0.25130926  0.43016325  0.71543896
   0.16911486  0.07478542 -0.14353181
  -0.00073928  0.10583293  0.86051464
   0.12894081  0.66919871  0.03770302
   0.29867304  0.82177972  0.27318790
   0.09634887  0.78706073  0.05305634
   0.48761480  0.95685152  0.27441668
   0.42584608  0.88459329  0.15149113
   0.20372883  0.94754619  0.12543387
   0.34289025  0.66105949  0.35486543
  -0.06836126  0.59019952  0.48718603
   0.28544695  0.39079559  0.55197004
   0.39578350  0.88275476  0.75396593
   0.10986248  0.69798069  0.49813775
   0.34902537  0.99766331  0.77397059
   0.46978103  0.97509417  0.66306664
   0.24580023  0.90408235  0.67052506
   0.20073969  0.76160882 -0.04170232
   0.05363986  0.74068766  0.98537626
   0.50215141 -0.04395999 -0.06059718
   1.07705432  0.32590726  0.14846551
   0.92720263  0.48425348  0.02417790
   0.61749269  0.38198953  0.44063235
  -0.13636371  0.36552043  0.13695420
   0.60369690  0.56485023  0.20117752
   0.65927096  0.23853317  0.35617964
   0.41696045  0.10192505  0.48112016
   0.67195389  0.07283555  0.55799583
   1.07545392  0.34738984  0.69576386
   0.56675622  0.32152142  0.49404687
   0.83043607  0.53452841  0.96673990
   1.10838982  0.52466448  0.55214623
   0.64925904  0.43435331  0.68667099
   0.82913691  0.10644750  0.87810721
   0.40805151 -0.01887831  0.94235677
   0.47404555  0.61066999 -0.00363559
   0.82255928  0.80188140  0.22217465
   0.29767272  0.42784839  0.26434495
   0.89692568  0.99550511  0.32065373
   0.94464386  0.93789368  0.03782492
   0.59997737  0.84304975  0.20909506
   1.02507586  0.88699029  0.25497350
   0.50179982  0.70377528  0.37103072
   0.68758145  0.59095118  0.51803871
   0.92979583  0.78373428  0.83062537
   0.53124411  1.54052010  2.11449662
   0.75545424  0.91813984  0.77376117
   1.01261495  0.92618019  0.69596983
   0.74920148  0.95538815  0.65320632
   0.88549522  0.81095282  0.94549142
   0.49831782  0.72903415  0.95355433
   6.72446429  4.75431909  1.02865472
   2.22330342  0.04876772  2.11361462
   1.91077270  1.35879509  2.75518244
   3.00184265  3.72179171 -1.50459305
  -4.98961047 -0.39202508 -2.29083145
   2.12274337 -3.36709676  4.03938571
  -0.18800355 -0.93002358 -1.13023949
   0.04193653 -0.96712729 -0.40715040
  -0.01163984  1.13145564 -3.86081894
   6.31712104  4.42131609  0.51674384
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.590853   -3.127786   -1.836510
    -0.000000   24.822140    2.403439
    -0.000000    0.000000   24.486530
   Si   O    H 
    32    64    10
Direct configuration=  3980
   0.14242258  0.27736574 -0.01225955
   0.30741770  0.08508933  0.42757932
   0.29417069  0.51538238 -0.01457078
   0.87185200 -0.14366653  0.52831773
   0.17084930 -0.24400025  0.09690684
   0.28701345  0.00129814  0.83097969
   0.23002101  0.35699325  0.68009902
   0.32075241  0.40150127  0.77148294
   0.13803824  0.72095364  0.02321038
   0.41457986  0.58719295  0.42794707
   0.14602735  0.98682483  0.11154275
   0.33145765  0.88897926  0.28994736
   0.14540977  0.65982557  0.51553721
   0.38481445  0.78687579  0.89222320
   0.09940831  0.94090393  0.64787386
   0.34094685  0.95322882  0.75229904
   0.53192743  0.01337117  0.93880849
   0.77725901  0.15568252  0.41602396
   0.80557733  0.48713586  0.10171485
   1.01583374  0.46982943  0.22707236
   0.58411823  0.19809671  0.39459112
   0.82596348  0.16502430  0.90637385
   0.55158661  0.43729348  0.59631879
   0.91465852  0.42150530  0.82454133
   0.47877211  0.68072802  0.02435509
   0.51294620  0.40254355  0.53768032
   0.53589859  0.89385004  0.11898906
   0.74836135  0.42931183 -0.37701729
   0.63007086  0.65273122  0.55944556
   0.91507684  0.66566950  0.91541709
   0.55421510  0.93752624  0.67381593
   0.79948619  0.85171086  0.85475842
   0.04227599 -0.02655608  0.07700641
   0.35336681  0.18330892  0.34710679
   0.04215218  0.20919427  0.11718433
   0.38366668  0.60523134  0.29945118
   0.52648683  0.27653297  0.19346202
   0.08850741  0.38876542  0.22854315
   0.20201409  0.03517996  0.46777780
  -0.12048629  0.12184003  0.42255941
   0.09285641  0.01327933  0.50000818
   0.24539789  0.33615127  0.75385709
   0.11141679  0.38606084  0.60636022
   0.39642156  0.44687469  0.79432321
   0.42421242  0.38414143  0.62056319
   0.25252904  0.42400842  0.71686242
   0.16810481  0.07250417 -0.14266251
   0.00167554  0.10675893  0.85678314
   0.13390903  0.66922204  0.03838182
   0.29999719  0.81957739  0.26974286
   0.09470818  0.78540610  0.05575206
   0.49439406  0.95671201  0.26783864
   0.42538751  0.88445015  0.15291060
   0.20536660  0.95353390  0.12482756
   0.34504211  0.66300272  0.35556500
  -0.06459950  0.59213305  0.48696178
   0.28246230  0.39204866  0.55139151
   0.39919204  0.88112288  0.75589335
   0.10625795  0.69302515  0.49937677
   0.35812411  0.99415051  0.76304774
   0.46701350  0.97778732  0.65937880
   0.23798958  0.90142364  0.66519764
   0.19599251  0.75742111 -0.04312005
   0.06015991  0.73950043  0.98838616
   0.50940161 -0.04240005 -0.06516913
   1.08020254  0.31977913  0.14183004
   0.92705614  0.49337590  0.01884546
   0.61454915  0.38601640  0.44220151
  -0.13815969  0.36308342  0.13328011
   0.59700468  0.57165029  0.20541283
   0.65320007  0.23701422  0.35786934
   0.41925566  0.10321691  0.48077790
   0.67060351  0.06980115  0.55794356
   1.07689558  0.35167776  0.69377146
   0.56217086  0.31345532  0.49674562
   0.83945971  0.52150516  0.97114656
   1.10124292  0.52461675  0.55162887
   0.65233956  0.43050511  0.68079545
   0.82417054  0.10729130  0.87987943
   0.39556837 -0.01725013  0.94580095
   0.47052875  0.60589157 -0.00229226
   0.82279498  0.80701682  0.21979544
   0.29611634  0.42678746  0.27221677
   0.90199636  1.00017908  0.31686439
   0.94533159  0.93695998  0.03669825
   0.59982474  0.84069188  0.21589289
   1.02858674  0.88480029  0.25297512
   0.50293359  0.70560139  0.37849470
   0.68806472  0.59185694  0.52007193
   0.93826896  0.77966752  0.82129379
   0.52663147  1.54893875  2.11449178
   0.75298982  0.91805665  0.77298343
   1.01132204  0.92496855  0.69689083
   0.75162425  0.95742226  0.65349067
   0.88432857  0.81261939  0.95796065
   0.50377490  0.73133573  0.95153130
   6.76450848  4.83793569  0.92475082
   2.23859112  0.06765052  2.06214308
   1.97455542  1.39678469  2.75406454
   3.21512529  3.68979819 -1.53175926
  -4.98574861 -0.37450787 -2.28107838
   2.01419101 -3.35868633  4.04936646
  -0.22450300 -0.94321389 -1.08292973
   0.09263531 -0.93509753 -0.39268976
   0.02370809  1.11796437 -4.00058341
   6.33836064  4.49244487  0.55846995
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.601422   -3.096538   -1.928366
    -0.000000   24.877203    2.313072
    -0.000000    0.000000   24.805574
   Si   O    H 
    32    64    10
Direct configuration=  3981
   0.14449615  0.28253430 -0.01124137
   0.30324356  0.08336407  0.43045989
   0.29389133  0.51298130 -0.01350692
   0.87075443 -0.14687247  0.53005240
   0.16915274 -0.24056091  0.09833368
   0.28294213 -0.00155559  0.83294199
   0.23170736  0.36148991  0.68060396
   0.32016404  0.40226309  0.77225826
   0.14041614  0.71769158  0.02470926
   0.41883108  0.58786209  0.42671192
   0.14716970  0.98696261  0.10989688
   0.32390914  0.88740924  0.29107343
   0.14708984  0.66144172  0.51525050
   0.38930395  0.78893871  0.89251838
   0.10030133  0.94020147  0.65116226
   0.33192390  0.94055981  0.74939954
   0.53082327  0.01073091  0.93707970
   0.77440156  0.15639125  0.41657342
   0.80607595  0.48890104  0.10647965
   1.01882010  0.47313232  0.22718640
   0.58455785  0.19566088  0.39730211
   0.82470256  0.16231696  0.90464827
   0.55087818  0.43964062  0.59431340
   0.92353881  0.41967524  0.82939901
   0.47998211  0.68315233  0.02445625
   0.51160680  0.40289321  0.54083858
   0.53386563  0.89222401  0.11726777
   0.74249411  0.42736805 -0.38681445
   0.62580095  0.65228207  0.55837848
   0.91868439  0.66620343  0.91497644
   0.55571929  0.93757988  0.67529350
   0.79093353  0.85335576  0.85527340
   0.04082653 -0.02621337  0.07984458
   0.35399042  0.18225044  0.34754834
   0.03511004  0.20237175  0.11515370
   0.37143922  0.60048715  0.30154692
   0.52602091  0.27384339  0.19202925
   0.08041858  0.38728555  0.23026200
   0.20315495  0.03685982  0.45898712
  -0.11929932  0.11922859  0.42494635
   0.09480998  0.01567068  0.50106845
   0.23727434  0.33599314  0.74981291
   0.11742869  0.38091965  0.61143539
   0.39159585  0.44230707  0.79289103
   0.43287226  0.38144119  0.61526270
   0.25018668  0.41934868  0.71774005
   0.17059691  0.06856805 -0.14195406
   0.00224623  0.10698780  0.85422191
   0.14059463  0.66909015  0.03961845
   0.30310729  0.81799210  0.26606512
   0.09506950  0.78437470  0.05873088
   0.50279497  0.95552616  0.26028456
   0.42455140  0.88516203  0.15508391
   0.21369962  0.95705642  0.12524052
   0.34886684  0.66420331  0.35371564
  -0.05753086  0.59460617  0.48713142
   0.28221263  0.39243755  0.55237520
   0.40164153  0.87767616  0.75770896
   0.10414100  0.69147689  0.49773260
   0.38024313  1.03270502  0.76805852
   0.46343657  0.97980187  0.65504064
   0.23480066  0.89984196  0.66261819
   0.19150888  0.75402255 -0.04567823
   0.06276143  0.74005755  0.99039584
   0.51444893 -0.04099863 -0.06912335
   1.08134498  0.31399806  0.13654648
   0.93515240  0.50183119  0.01173154
   0.61066525  0.39116740  0.44296649
  -0.13749035  0.36114481  0.13159787
   0.59394721  0.57685886  0.20875995
   0.64705843  0.23565849  0.35962515
   0.42196239  0.10460302  0.48069978
   0.66859219  0.06689519  0.55759918
   1.07990960  0.35798883  0.69145654
   0.55516818  0.30583531  0.50083245
   0.84449847  0.50998269  0.97422903
   1.09506574  0.52555076  0.55081411
   0.66038349  0.42747135  0.67595518
   0.81724082  0.10876521  0.88359440
   0.38577595 -0.01519690  0.94862130
   0.46751544  0.60073953 -0.00046950
   0.82059382  0.81250458  0.21736425
   0.29255289  0.42580178  0.27955276
   0.90538440  1.00404704  0.31356287
   0.94498604  0.93674809  0.03501866
   0.60019302  0.84026404  0.22103473
   1.03402741  0.88259324  0.25106703
   0.50419286  0.70669439  0.38886517
   0.68895650  0.59198605  0.52260753
   0.94614997  0.77654651  0.81299921
   0.52117109  1.55701525  2.11253705
   0.75290282  0.91726885  0.77293622
   1.00902221  0.92368494  0.69805789
   0.75262899  0.95930335  0.65425347
   0.87417267  0.81553315  0.96564371
   0.50957732  0.73433230  0.94949450
   6.92336093  4.88522300  0.86678611
   2.18643475  0.03233350  2.04124628
   2.01670538  1.43047472  2.77757669
   3.28410707  3.65418544 -1.50400707
  -4.97652573 -0.35188727 -2.25048284
   1.89605960 -3.37483334  4.05427251
  -0.23499969 -0.95332891 -1.06194444
   0.13799239 -0.91081375 -0.40718917
   0.05830036  1.08006931 -4.11045402
   6.31358790  4.57948353  0.58726910
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.610013   -3.066305   -2.017865
    -0.000000   24.931543    2.225751
    -0.000000    0.000000   25.117915
   Si   O    H 
    32    64    10
Direct configuration=  3982
   0.14512914  0.28708627 -0.00963867
   0.30076007  0.08259987  0.43254005
   0.29311468  0.51018580 -0.01224786
   0.86933413 -0.14972522  0.53167285
   0.16874201 -0.23738219  0.10013218
   0.28024948 -0.00382366  0.83464467
   0.23473263  0.36530303  0.67931328
   0.32148024  0.40247642  0.77407896
   0.14224574  0.71563981  0.02715637
   0.42210550  0.58967819  0.42380360
   0.14721180  0.98741269  0.10964483
   0.31623153  0.88560561  0.29152223
   0.15226241  0.65832204  0.51637417
   0.39531690  0.79041297  0.89358256
   0.10313899  0.93983057  0.65447638
   0.32261632  0.92876436  0.74561310
   0.53160640  0.01037572  0.93484525
   0.77127514  0.15751622  0.41735039
   0.80620919  0.49048779  0.11095053
   1.02164715  0.47701373  0.22718036
   0.58464873  0.19324901  0.39970197
   0.82427092  0.16041693  0.90354301
   0.54869939  0.44072843  0.58839416
   0.93498496  0.41868531  0.83212423
   0.48039560  0.68568024  0.02338529
   0.50648235  0.40355791  0.54612956
   0.53353555  0.88995002  0.11620893
   0.73962026  0.42612351 -0.39307761
   0.62148307  0.65146204  0.55693358
   0.92333996  0.66699815  0.91398168
   0.55635879  0.93773690  0.67706072
   0.78631064  0.85580680  0.85611752
   0.03581699 -0.02604175  0.08118586
   0.35510373  0.18245595  0.34703841
   0.03023758  0.19336488  0.11029723
   0.35863450  0.59706045  0.30662988
   0.52541077  0.27166271  0.19010582
   0.07331727  0.38369672  0.23022509
   0.19536735  0.03591462  0.45389345
  -0.11657501  0.11659664  0.42825386
   0.10454950  0.01972198  0.49938523
   0.22716699  0.33451800  0.74741590
   0.12017242  0.37446527  0.61826757
   0.38729216  0.43714539  0.79082139
   0.43438069  0.37635783  0.60724368
   0.24081637  0.41795938  0.71802277
   0.16853185  0.06505413 -0.14080452
   0.00213820  0.10616545  0.85343909
   0.14730561  0.66810899  0.04096768
   0.30712407  0.81742105  0.26285814
   0.09647790  0.78212997  0.06072318
   0.50976942  0.95242671  0.25275665
   0.42226686  0.88617803  0.15926328
   0.22514450  0.95962204  0.12441951
   0.35216538  0.66461867  0.35133258
  -0.04425749  0.59758121  0.48837353
   0.29193963  0.39299473  0.55707316
   0.40581472  0.87571794  0.75945182
   0.09221910  0.69709405  0.49249688
   0.39931607  1.06716595  0.77332054
   0.46057687  0.98186408  0.65100827
   0.23204131  0.89872919  0.65968254
   0.18639562  0.75092157 -0.04754596
   0.06394486  0.74137984  0.99127010
   0.51494268 -0.04146053 -0.07248123
   1.08119174  0.31080874  0.13241373
   0.95152599  0.50937610  0.00800034
   0.60376799  0.39201730  0.44672410
  -0.13250073  0.36035106  0.13222278
   0.59385603  0.58107576  0.21106730
   0.64155163  0.23396500  0.36158284
   0.42425711  0.10550036  0.48093511
   0.66690371  0.06428324  0.55744692
   1.08785757  0.36634527  0.68908668
   0.55032806  0.30594995  0.50343134
   0.84057935  0.50078537  0.97392119
   1.08655340  0.52672111  0.54965772
   0.67368971  0.42579270  0.67166085
   0.81462034  0.10936136  0.88803643
   0.37822443 -0.01402239  0.95119954
   0.46530016  0.59781794 -0.00006855
   0.81611344  0.81789388  0.21503074
   0.28493689  0.42371001  0.28558373
   0.90789266  1.00693058  0.31035549
   0.94550849  0.93730474  0.03325034
   0.60197483  0.84196038  0.22378636
   1.04140662  0.87993187  0.24939318
   0.50544655  0.70726568  0.39945125
   0.68954605  0.59159275  0.52629393
   0.95461400  0.77329189  0.80526020
   0.51588859  1.56441976  2.11096185
   0.75658538  0.91667626  0.77313890
   1.00508811  0.92175618  0.69985724
   0.75176249  0.96076678  0.65559341
   0.86537882  0.81941184  0.97244282
   0.51213136  0.73604218  0.94801378
   6.92229837  4.89435603  0.78705106
   2.14159766 -0.00958829  2.02216271
   1.99151050  1.43441030  2.80788583
   3.34530553  3.61020341 -1.45458645
  -4.98631824 -0.31868236 -2.20207106
   1.79344897 -3.39359328  4.06509525
  -0.23084710 -0.95111328 -1.06745034
   0.16084662 -0.90967434 -0.42870124
   0.09603329  1.05340005 -4.22784314
   6.30398824  4.67452606  0.59683372
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.616498   -3.037377   -2.106330
    -0.000000   24.985228    2.141591
    -0.000000    0.000000   25.423912
   Si   O    H 
    32    64    10
Direct configuration=  3983
   0.14374706  0.29049598 -0.00712458
   0.30007637  0.08278118  0.43422970
   0.29204599  0.50722251 -0.01089362
   0.86832159 -0.15205111  0.53320416
   0.17257216 -0.23616867  0.10329274
   0.27932478 -0.00583664  0.83613434
   0.24134612  0.36845601  0.67692524
   0.32033527  0.40079130  0.77553727
   0.14307956  0.71465763  0.03016161
   0.42433136  0.59130266  0.42119326
   0.14803967  0.98857761  0.11011431
   0.31025031  0.88408527  0.29077322
   0.15955394  0.65524148  0.51849548
   0.40269541  0.79134117  0.89548842
   0.10817724  0.93959218  0.65824106
   0.31462159  0.91796639  0.74207498
   0.53467131  0.01219763  0.93300041
   0.76702745  0.15911448  0.41837961
   0.80741599  0.49195612  0.11406996
   1.02520772  0.48049022  0.22738980
   0.58456778  0.19064786  0.40197123
   0.82492666  0.15827217  0.90193514
   0.55050481  0.44390295  0.58622911
   0.94491417  0.41799608  0.83480203
   0.47961905  0.68836216  0.02176572
   0.49720959  0.40174721  0.54661035
   0.53645758  0.88704311  0.11623396
   0.73772773  0.42521711 -0.39663980
   0.61612368  0.65015911  0.55542782
   0.92746904  0.66786247  0.91420051
   0.55619296  0.93837480  0.67888673
   0.78291430  0.85877251  0.85751537
   0.02538990 -0.02746471  0.07928254
   0.35780704  0.18333146  0.34631074
   0.02675761  0.18411818  0.10370021
   0.34669457  0.59391519  0.31120706
   0.52370332  0.27042343  0.18769801
   0.06732693  0.38029011  0.22960209
   0.18027973  0.03209268  0.45166349
  -0.11249135  0.11386650  0.43242847
   0.11877629  0.02450738  0.49555304
   0.21670200  0.33418982  0.74604959
   0.11998681  0.36715151  0.62587562
   0.38778445  0.43384056  0.78987962
   0.42505564  0.36900460  0.60066723
   0.22942331  0.41973493  0.71828416
   0.16796488  0.06173163 -0.14038095
   0.00003093  0.10501206  0.85357822
   0.15310291  0.66803949  0.04291510
   0.31111090  0.81777190  0.26028035
   0.09087408  0.78092275  0.05830484
   0.51262094  0.94750676  0.24662599
   0.41818476  0.88793842  0.16565231
   0.23577846  0.96135304  0.12179322
   0.35587206  0.66726461  0.35149078
  -0.02233940  0.60156936  0.49131496
   0.31209608  0.39412568  0.56320835
   0.41118266  0.87508025  0.76066809
   0.07775063  0.69955732  0.48805438
   0.41455203  1.09701118  0.77892029
   0.46109053  0.98358748  0.64768260
   0.22713006  0.89824768  0.65616355
   0.18043104  0.74818560 -0.04905370
   0.06482297  0.74301766  0.99243017
   0.51324008 -0.04524000 -0.07591088
   1.08051935  0.30865865  0.12792906
   0.97047585  0.51650122  0.00616002
   0.59463012  0.38964067  0.45227689
  -0.12495860  0.36070922  0.13471271
   0.59450280  0.58471612  0.21223936
   0.63774943  0.23184197  0.36275159
   0.42675382  0.10586980  0.48142571
   0.66532931  0.06255286  0.55664276
   1.09388958  0.37340766  0.68652002
   0.54793989  0.31168195  0.50501182
   0.83140093  0.49232588  0.97257535
   1.07729201  0.53036846  0.54712990
   0.68584916  0.42527963  0.66350161
   0.80996548  0.10846697  0.89572346
   0.36788478 -0.01294347  0.95404002
   0.46372959  0.59698521 -0.00200246
   0.80895243  0.82344893  0.21344507
   0.27208330  0.42063510  0.28981886
   0.90900637  1.00894154  0.30706412
   0.95101275  0.93918441  0.03324613
   0.60512730  0.84531776  0.22345728
   1.04936685  0.87616216  0.24796715
   0.50444767  0.70745427  0.40839165
   0.69030235  0.59117952  0.53052160
   0.96218074  0.77136215  0.79787223
   0.51488521  1.57181409  2.11097481
   0.76022279  0.91531358  0.77328695
   1.00245001  0.91999566  0.70072498
   0.74791934  0.96204148  0.65631380
   0.85694437  0.82382491  0.97702808
   0.51254988  0.73678094  0.94688005
   6.92288594  4.88576740  0.73291262
   2.07254704 -0.07096526  2.03468588
   1.98249443  1.44731413  2.83458467
   3.37826180  3.54963547 -1.42188991
  -4.97309298 -0.30308888 -2.17004657
   1.68923156 -3.42477315  4.07918331
  -0.18447906 -0.90901888 -1.12434766
   0.15914220 -0.92435762 -0.45450639
   0.10584678  1.02762235 -4.32352905
   6.24658959  4.76348665  0.57383312
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.623004   -3.008873   -2.193673
    -0.000000   25.038649    2.060665
    -0.000000    0.000000   25.724544
   Si   O    H 
    32    64    10
Direct configuration=  3984
   0.14110360  0.29297391 -0.00366441
   0.30029632  0.08349632  0.43625350
   0.29104818  0.50407377 -0.00965713
   0.86707768 -0.15439476  0.53487267
   0.17614647 -0.23569319  0.10501645
   0.27761744 -0.00791950  0.83743285
   0.25291397  0.37073990  0.67600732
   0.31406639  0.39663763  0.77527893
   0.14477735  0.71415792  0.03403692
   0.42640091  0.59203368  0.41979508
   0.15067199  0.98953717  0.11078647
   0.30767222  0.88300780  0.28857191
   0.16810897  0.65103348  0.52007431
   0.41146813  0.79179285  0.89783965
   0.11263302  0.93937361  0.66245872
   0.30889445  0.90837111  0.73941414
   0.53794291  0.01381185  0.93084012
   0.76024906  0.16117742  0.41956422
   0.80977164  0.49347492  0.11578793
   1.02931303  0.48259504  0.22750092
   0.58586859  0.18757653  0.40426426
   0.82718660  0.15675042  0.90073152
   0.55238736  0.44379337  0.58794746
   0.95429244  0.41710728  0.83709181
   0.47795672  0.69128919  0.01950557
   0.49073967  0.39992917  0.54390585
   0.54104057  0.88328220  0.11758972
   0.73844063  0.42488190 -0.39793830
   0.61103587  0.64839471  0.55403241
   0.93118342  0.66880504  0.91517034
   0.55346897  0.93939183  0.67998979
   0.77998415  0.86143606  0.85927640
   0.01207333 -0.02902106  0.07636448
   0.36165975  0.18409347  0.34588948
   0.02520089  0.17691387  0.09611402
   0.33399937  0.59039569  0.31364134
   0.52166549  0.26937999  0.18497414
   0.06329432  0.37885375  0.22886570
   0.16747540  0.02874292  0.44708050
  -0.10750242  0.11118897  0.43690088
   0.12722349  0.02774073  0.49425755
   0.20915390  0.33712628  0.74491171
   0.12128184  0.35909783  0.61591521
   0.39528906  0.43337690  0.79032566
   0.41456530  0.36518172  0.59523017
   0.22341692  0.42441900  0.72136995
   0.16882900  0.05813381 -0.14101590
  -0.00045900  0.10393709  0.85506776
   0.15915163  0.66929545  0.04550694
   0.31310398  0.81811703  0.25900643
   0.08675137  0.77908840  0.05738712
   0.51152516  0.94294249  0.24299959
   0.41274679  0.88940138  0.17290776
   0.24251036  0.96296886  0.11821525
   0.35937852  0.67234387  0.35318858
   0.00100089  0.60427239  0.49600765
   0.33217098  0.39504418  0.57009642
   0.41522949  0.87560655  0.76120319
   0.05987443  0.69945626  0.48365583
   0.42770335  1.12430266  0.78392160
   0.46573675  0.98469026  0.64500316
   0.22021898  0.89601437  0.65197614
   0.17329030  0.74550704 -0.04963452
   0.06477720  0.74476553  0.99157513
   0.51360200 -0.04922100 -0.07955152
   1.08136876  0.30514303  0.12247093
   0.98850690  0.52217317  0.00527946
   0.58465105  0.38598769  0.45728923
  -0.11630791  0.36182437  0.13879025
   0.59638869  0.58751406  0.21161712
   0.63482476  0.22965172  0.36298905
   0.43008681  0.10656547  0.48131841
   0.66434246  0.06179559  0.55539188
   1.08245869  0.37821354  0.69827461
   0.54641871  0.31815962  0.50583795
   0.81994710  0.48360102  0.97149780
   1.06708274  0.53696699  0.54208489
   0.69220616  0.42609997  0.65019358
   0.80658373  0.10861729  0.90356094
   0.35447614 -0.01169085  0.95789900
   0.46304736  0.59788520 -0.00523050
   0.79977153  0.82875176  0.21253878
   0.25418578  0.41690857  0.29230960
   0.90896911  1.01008683  0.30337168
   0.95685950  0.94149020  0.03440177
   0.60946369  0.84893439  0.21979775
   1.05774240  0.87175061  0.24704618
   0.50215939  0.70794356  0.41520137
   0.69010798  0.59147097  0.53486008
   0.96921634  0.77046653  0.79006885
   0.51110111  1.57820754  2.11211246
   0.76482771  0.91389765  0.77377473
   0.99859982  0.91776031  0.70155932
   0.74454762  0.96249911  0.65750229
   0.84732762  0.82909869  0.97990060
   0.51157651  0.73640474  0.94620832
   7.00975233  4.89136693  0.65476401
   2.05114982 -0.13395680  2.03935737
   1.99448241  1.46400024  2.85500462
   3.37975010  3.51302834 -1.39843481
  -4.95359872 -0.28760938 -2.13431557
   1.63764944 -3.45337686  4.10443845
  -0.14757133 -0.90540677 -1.19667864
   0.16376996 -0.94715788 -0.47512131
   0.11599549  0.99319955 -4.41243862
   6.23434869  4.91596561  0.59046031
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.628054   -2.981400   -2.279192
    -0.000000   25.091563    1.981817
    -0.000000    0.000000   26.019266
   Si   O    H 
    32    64    10
Direct configuration=  3985
   0.13727156  0.29484313  0.00031832
   0.30158531  0.08429053  0.43881162
   0.29012871  0.50085633 -0.00860016
   0.86674546 -0.15673244  0.53715299
   0.18295736 -0.23595782  0.10762155
   0.27636786 -0.01064482  0.83867447
   0.26238418  0.37265686  0.67580214
   0.30627291  0.39222869  0.77473416
   0.15043157  0.71208755  0.03723735
   0.42883198  0.59227870  0.41972091
   0.15166849  0.98919817  0.11062575
   0.30859664  0.88220935  0.28497397
   0.17931233  0.64718713  0.52184441
   0.41902904  0.79233773  0.90013190
   0.11374185  0.93777879  0.66635844
   0.30405385  0.90056170  0.73764901
   0.54019829  0.01439729  0.92819465
   0.74777363  0.16372008  0.42064750
   0.81026769  0.49527199  0.11653932
   1.03368455  0.48298652  0.22763139
   0.59142550  0.18396019  0.40669691
   0.83383586  0.16356792  0.89897875
   0.55245129  0.43840733  0.58821309
   0.96268614  0.41541810  0.83861913
   0.47481638  0.69404653  0.01694544
   0.49247486  0.40427398  0.54257894
   0.54649741  0.87926071  0.12005177
   0.74134433  0.42468953 -0.40007088
   0.60635278  0.64602650  0.55252031
   0.93571934  0.66997778  0.91551390
   0.54981120  0.94106133  0.68075789
   0.77788784  0.86383349  0.86081065
   0.01133289 -0.02560768  0.07934142
   0.36708737  0.18493046  0.34685869
   0.02506575  0.17209093  0.08888226
   0.32175377  0.58809546  0.31425528
   0.51967265  0.26870189  0.18154803
   0.06084050  0.38035423  0.22877812
   0.15480019  0.02526572  0.44096958
  -0.10219094  0.10907719  0.44110002
   0.13244587  0.03026506  0.49358877
   0.20054277  0.34407090  0.74252096
   0.12080588  0.35212325  0.60708535
   0.40270820  0.43234438  0.79091093
   0.41017264  0.35992314  0.59521555
   0.21511150  0.42810840  0.72470552
   0.16838194  0.05497296 -0.14188645
   0.00485881  0.10282276  0.85747533
   0.16614630  0.67097371  0.04934584
   0.31133272  0.81692446  0.25957588
   0.07264275  0.77798151  0.05425024
   0.50857953  0.94061310  0.24259632
   0.40612130  0.89021438  0.17810807
   0.25075863  0.96548449  0.11551116
   0.36219403  0.67730660  0.35564912
   0.01532290  0.60719060  0.49905934
   0.33573698  0.39846386  0.57619451
   0.41701477  0.87668849  0.76057203
   0.04052067  0.69655663  0.48052088
   0.43937865  1.15015495  0.78820878
   0.46996084  0.98393152  0.64284504
   0.21241660  0.89369895  0.64486253
   0.16419435  0.74352622 -0.04675614
   0.06510014  0.74944900  0.98998158
   0.51111691 -0.05161980 -0.08171425
   1.08384331  0.30006365  0.11493993
   1.00310826  0.52653614  0.00398265
   0.57704485  0.38357897  0.45907051
  -0.10845413  0.36302341  0.14392091
   0.59674869  0.58986892  0.20973329
   0.63296518  0.22736482  0.36320232
   0.43209846  0.10761113  0.48058315
   0.66284006  0.06142160  0.55384610
   1.08634295  0.38069771  0.70814741
   0.54649290  0.31954909  0.50616466
   0.81068545  0.47576410  0.97062305
   1.05968600  0.54522209  0.53730187
   0.69024819  0.42733832  0.63726443
   0.79823457  0.09414501  0.91052215
   0.34269574 -0.01060188  0.96142050
   0.46423651  0.59987361 -0.00732196
   0.79099497  0.83378487  0.21155295
   0.23516368  0.41347235  0.29358940
   0.90775114  1.01078583  0.29948176
   0.95275264  0.93748068  0.02929479
   0.61346019  0.85164653  0.21429641
   1.06574108  0.86713170  0.24671886
   0.49865433  0.70898119  0.41998641
   0.68925324  0.59255881  0.53890566
   0.97485780  0.77049079  0.78162701
   0.50643766  1.58412200  2.11334387
   0.77091102  0.91178879  0.77579359
   0.99173856  0.91407204  0.70098673
   0.74088555  0.96279335  0.65850711
   0.83724470  0.83557535  0.98120353
   0.51199454  0.73511014  0.94605854
   7.26053080  4.96746976  0.58427509
   2.03859267 -0.13612963  2.03965227
   2.04286853  1.50465970  2.89214288
   3.34949694  3.47987796 -1.37322598
  -4.97233644 -0.29965575 -2.07605519
   1.66868561 -3.50730219  4.12728926
  -0.15534823 -0.89613478 -1.24504086
   0.17998413 -0.97918887 -0.46351902
   0.14298891  0.96011763 -4.48956636
   6.22611935  5.04648886  0.63397514
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.631701   -2.954179   -2.363084
    -0.000000   25.143874    1.905226
    -0.000000    0.000000   26.308516
   Si   O    H 
    32    64    10
Direct configuration=  3986
   0.13312792  0.29685697  0.00459925
   0.30283843  0.08478420  0.44239864
   0.29104179  0.49806499 -0.00693466
   0.86683759 -0.15925052  0.53956340
   0.19046195 -0.23754318  0.10973647
   0.27717949 -0.01297475  0.83939923
   0.26615693  0.37473112  0.67588930
   0.29966459  0.38925432  0.77498682
   0.15725977  0.71184727  0.04020177
   0.43059277  0.59219870  0.41966728
   0.15091340  0.98805599  0.11009377
   0.31241357  0.88175093  0.28020983
   0.19359997  0.64259531  0.52419091
   0.42499403  0.79361944  0.90177911
   0.11558771  0.93577566  0.67011475
   0.29959472  0.89410373  0.73700977
   0.54223823  0.01489955  0.92532560
   0.72818045  0.16683537  0.42106879
   0.80560104  0.49634390  0.11718729
   1.03735099  0.48284441  0.22764354
   0.60305997  0.17822032  0.41050756
   0.83948528  0.16973908  0.89742830
   0.55564014  0.43196367  0.58953220
   0.97138487  0.41272910  0.83939844
   0.47103175  0.69604511  0.01497731
   0.49155938  0.40996993  0.54218665
   0.55041862  0.87540699  0.12260925
   0.75251089  0.42416479 -0.40655475
   0.60276422  0.64414537  0.55157342
   0.94004085  0.67119934  0.91622801
   0.54617178  0.94289966  0.68172387
   0.77677216  0.86611407  0.86257656
   0.01046557 -0.02353340  0.08100089
   0.37570805  0.18582318  0.34943140
   0.02596517  0.16946500  0.08269337
   0.31137999  0.58818666  0.31605926
   0.51654366  0.26796525  0.17760231
   0.05860302  0.38174084  0.22901618
   0.14218000  0.02248167  0.43458250
  -0.10018224  0.10849009  0.44423300
   0.13892277  0.03095284  0.49400604
   0.18824630  0.35291149  0.74015846
   0.12222546  0.34647993  0.60010889
   0.40540690  0.42982462  0.79022349
   0.41103205  0.35767091  0.59441793
   0.20688293  0.42972397  0.72809622
   0.16644459  0.05267165 -0.14279415
   0.01011545  0.10001197  0.86063089
   0.17580701  0.66987064  0.05614378
   0.30563079  0.81379345  0.26233686
   0.05570164  0.77512057  0.04912798
   0.50619790  0.94143259  0.24480640
   0.39823586  0.89129600  0.18045725
   0.25900842  0.96831411  0.11275068
   0.36476007  0.67951180  0.35796619
   0.02128165  0.61097238  0.49929302
   0.33332798  0.40114530  0.58237661
   0.41720532  0.87769452  0.75884623
   0.01877909  0.69565399  0.47773405
   0.44771936  1.17275711  0.79236752
   0.47083313  0.98268377  0.64085683
   0.20494246  0.89167456  0.63820103
   0.16121591  0.74409341 -0.04270662
   0.06207134  0.75817627  0.99008066
   0.50675882 -0.05431572 -0.08368922
   1.08671311  0.29436804  0.10658088
   1.01432820  0.52908479  0.00148124
   0.57313870  0.38193484  0.45729877
  -0.10189631  0.36396336  0.14819956
   0.59857032  0.59058771  0.20669917
   0.63542881  0.22598527  0.36196527
   0.43139281  0.10926522  0.47866778
   0.66144643  0.06165730  0.55171686
   1.10456597  0.38148168  0.71664878
   0.54779025  0.31725745  0.50650733
   0.80772293  0.46991510  0.96868405
   1.05703486  0.55184356  0.53470607
   0.66885945  0.42937435  0.63256267
   0.79425363  0.08106873  0.91573537
   0.32995451 -0.00960311  0.96462732
   0.46795844  0.60275554 -0.00767207
   0.78698658  0.83784465  0.20996487
   0.21919132  0.41199576  0.29499096
   0.90508467  1.01121453  0.29547123
   0.95085924  0.93286055  0.02579673
   0.61319552  0.85326215  0.21042503
   1.07476786  0.86254579  0.24711305
   0.49364839  0.71059559  0.42320096
   0.68972560  0.59269591  0.54260167
   0.98038091  0.77024356  0.77417334
   0.50597319  1.58820111  2.11278355
   0.77732622  0.91037145  0.77793667
   0.98505179  0.90988147  0.69933203
   0.73872341  0.96232286  0.65955068
   0.82856112  0.84390425  0.98164769
   0.51414615  0.73292943  0.94638181
   7.48798567  5.05548394  0.51404967
   2.03354800 -0.09967949  2.04011759
   2.00437142  1.55677511  2.95352295
   3.30286312  3.45940039 -1.34149688
  -5.06078703 -0.35499434 -2.06960524
   1.76979182 -3.48948065  4.15191222
  -0.15439712 -0.89195671 -1.25498715
   0.19980165 -0.99089259 -0.45528748
   0.17786023  0.95127672 -4.56120243
   6.24570808  5.16168718  0.66375901
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.632948   -2.926874   -2.445437
    -0.000000   25.190516    1.831084
    -0.000000    0.000000   26.588894
   Si   O    H 
    32    64    10
Direct configuration=  3987
   0.12920545  0.29891829  0.00863362
   0.30433977  0.08534744  0.44541379
   0.29177056  0.49560140 -0.00542579
   0.86664769 -0.16134665  0.54178726
   0.19713952 -0.23866886  0.11162712
   0.27792259 -0.01497038  0.84004501
   0.27010007  0.37656737  0.67583521
   0.29322463  0.38637400  0.77529696
   0.16201716  0.71581032  0.04126092
   0.43255427  0.59232191  0.41968484
   0.15013918  0.98720664  0.10979115
   0.31569439  0.88091104  0.27570845
   0.20644109  0.63840377  0.52634680
   0.43060564  0.79469363  0.90341278
   0.11673026  0.93379937  0.67327243
   0.29555952  0.88843067  0.73646266
   0.54360704  0.01483629  0.92277766
   0.71197680  0.16940158  0.42131568
   0.80202277  0.49705607  0.11728918
   1.04088190  0.48272057  0.22768075
   0.61180612  0.17313780  0.41371083
   0.84438551  0.17510260  0.89635790
   0.56095776  0.42743036  0.59261570
   0.97882125  0.41037920  0.84000229
   0.46799503  0.69741988  0.01314111
   0.48766589  0.41414004  0.53950833
   0.55415055  0.87226412  0.12484583
   0.76234457  0.42340349 -0.41225063
   0.59963940  0.64222264  0.55063574
   0.94413328  0.67684595  0.91473634
   0.54205009  0.94462647  0.68235573
   0.77633444  0.86831699  0.86415406
   0.00960570 -0.02176474  0.08223273
   0.38351755  0.18673006  0.35182262
   0.02737934  0.16711520  0.07713867
   0.30208127  0.58841909  0.31772088
   0.51380374  0.26722356  0.17412493
   0.05657663  0.38321160  0.22915037
   0.13085341  0.01974483  0.42977667
  -0.09826035  0.10812034  0.44701600
   0.14476523  0.03197598  0.49422893
   0.17514607  0.35998891  0.73727687
   0.12366074  0.34102611  0.59389396
   0.40921806  0.42839511  0.78967388
   0.41038684  0.35566368  0.59321770
   0.20103117  0.43144026  0.73140597
   0.16510445  0.05037702 -0.14342760
   0.01539660  0.09785201  0.86330176
   0.18699331  0.66139748  0.06452418
   0.30032751  0.81166108  0.26524997
   0.04033169  0.77279151  0.04413937
   0.50408695  0.94227391  0.24672720
   0.39157164  0.89239041  0.18234008
   0.26607882  0.97033676  0.11030464
   0.36649885  0.68130389  0.36003798
   0.02803610  0.61371651  0.50042282
   0.33247440  0.40356456  0.58813699
   0.41696223  0.87842453  0.75706183
  -0.00038960  0.69498573  0.47552846
   0.45510447  1.19293717  0.79631655
   0.47151377  0.98160469  0.63993176
   0.19788978  0.88994476  0.63225576
   0.15867449  0.74431092 -0.03938692
   0.05846383  0.76599369  0.99127161
   0.50329896 -0.05652205 -0.08510898
   1.08935044  0.28934580  0.09925844
   1.02396441  0.53162930 -0.00096074
   0.56984480  0.38048106  0.45592799
  -0.09621749  0.36476831  0.15179510
   0.60014684  0.59146338  0.20401448
   0.63719119  0.22481945  0.36084302
   0.43057425  0.11046176  0.47732292
   0.65988611  0.06186493  0.54969979
   1.12103541  0.38207020  0.72399538
   0.54857755  0.31545218  0.50665511
   0.80522206  0.46489333  0.96698084
   1.05414300  0.55875837  0.53161656
   0.65026101  0.43152189  0.62862819
   0.79137642  0.06987304  0.92021330
   0.31825964 -0.00875040  0.96728334
   0.47069211  0.60519339 -0.00802146
   0.78287060  0.84147467  0.20846095
   0.20516065  0.41074760  0.29632592
   0.90325840  1.01178571  0.29199044
   0.95036135  0.92839465  0.02251894
   0.61240320  0.85473588  0.20696008
   1.08324052  0.85814033  0.24759099
   0.48970250  0.71208985  0.42621743
   0.68962841  0.59335156  0.54586776
   0.98570362  0.77002185  0.76779350
   0.50498950  1.59172274  2.11251253
   0.78314199  0.90899443  0.77985869
   0.97968018  0.90614843  0.69761864
   0.73699272  0.96170673  0.66044169
   0.82095699  0.85137639  0.98214245
   0.51559002  0.73093378  0.94682393
   7.69175303  5.13611510  0.45159329
   2.01590604 -0.06575897  2.03925618
   1.97574701  1.60054264  3.01586622
   3.25875745  3.43784951 -1.31400491
  -5.14327537 -0.53014147 -1.99630714
   1.84761930 -3.46943232  4.18477311
  -0.15531073 -0.88835486 -1.26512935
   0.21360716 -1.00324459 -0.45052762
   0.20920341  0.94550215 -4.62489824
   6.26397471  5.26446056  0.69104403
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.635280   -2.901720   -2.525235
    -0.000000   25.236010    1.757994
    -0.000000    0.000000   26.864278
   Si   O    H 
    32    64    10
Direct configuration=  3988
   0.12580713  0.30089187  0.01104466
   0.30097747  0.08324402  0.44954517
   0.29269312  0.49350726 -0.00417465
   0.86644787 -0.16349090  0.54389821
   0.20028702 -0.24117903  0.11101706
   0.27733959 -0.01663122  0.83990737
   0.27490062  0.37993618  0.67780817
   0.29931599  0.38433452  0.77740245
   0.16811338  0.71763710  0.04603354
   0.43410841  0.59318469  0.41902558
   0.14892472  0.98619376  0.10933797
   0.31854311  0.88078373  0.27104500
   0.21288018  0.63429837  0.52702468
   0.43509251  0.79608796  0.90478455
   0.11791802  0.93126509  0.67583897
   0.29097458  0.88373100  0.73645081
   0.54355184  0.01459238  0.92076718
   0.70045408  0.17239690  0.42084248
   0.79958852  0.49799159  0.11843864
   1.04310501  0.48291895  0.22757247
   0.61702072  0.16964968  0.41576701
   0.84880366  0.17993780  0.89517419
   0.55638631  0.42180247  0.59007143
   0.98671179  0.40815270  0.84061909
   0.46436541  0.69742385  0.01239444
   0.48087294  0.41429485  0.53990142
   0.55550658  0.86963375  0.12499643
   0.76444022  0.42284113 -0.41637847
   0.59634356  0.64062626  0.55028226
   0.94731836  0.68142127  0.91339601
   0.53914532  0.94593441  0.68359109
   0.77745001  0.87036251  0.86687005
   0.01139704 -0.02142757  0.08306033
   0.39100349  0.18768526  0.35399008
   0.03054166  0.16716589  0.07215712
   0.29633771  0.59117695  0.32205450
   0.50833407  0.26628241  0.17032586
   0.05768886  0.38134523  0.23046252
   0.12352648  0.01952028  0.42898459
  -0.09812195  0.10816467  0.44964386
   0.14954096  0.03309009  0.48913368
   0.18912713  0.36177349  0.73870775
   0.12890667  0.33696999  0.58608042
   0.42153231  0.42743223  0.79146666
   0.41537522  0.36247627  0.58867610
   0.18402549  0.42721127  0.73294008
   0.16543948  0.04602204 -0.14349654
   0.02029764  0.09553041  0.86555345
   0.19663273  0.65754073  0.07212799
   0.29530542  0.80602039  0.26933164
   0.02695490  0.77114766  0.04906232
   0.50558082  0.94426719  0.24900555
   0.38719402  0.89429247  0.18302029
   0.27276039  0.97251190  0.10776974
   0.36706722  0.67971878  0.36154013
   0.03174312  0.61811466  0.49989674
   0.33581451  0.40232765  0.59257401
   0.41612255  0.87910396  0.75432762
  -0.01250443  0.69461687  0.47449582
   0.46052363  1.21265568  0.79845165
   0.46900822  0.98130522  0.63885333
   0.19166921  0.88916636  0.62731573
   0.16231651  0.74564322 -0.04043011
   0.05363616  0.77511407  0.98466697
   0.50246304 -0.05890203 -0.08559904
   1.08935305  0.28346080  0.09523801
   1.02962034  0.53527986 -0.00286520
   0.56685712  0.38016489  0.45438184
  -0.09310353  0.36491043  0.15214960
   0.60349619  0.59209401  0.20131351
   0.64115941  0.22217754  0.36167054
   0.43324116  0.11260609  0.47522440
   0.65740255  0.06185307  0.54815317
   1.08951743  0.39358542  0.72174757
   0.55039971  0.31489686  0.50887890
   0.80431106  0.46091966  0.96462823
   1.05713825  0.56338184  0.53106128
   0.65318036  0.43299001  0.63029863
   0.79077683  0.05973327  0.92358918
   0.30529769 -0.00746191  0.97023780
   0.47359850  0.60796803 -0.00669210
   0.78727921  0.84418745  0.20653448
   0.19239893  0.41314929  0.29760362
   0.89917377  1.01205573  0.28786724
   0.94269734  0.92287621  0.01737247
   0.60314707  0.85665962  0.20782628
   1.09063764  0.85464783  0.24827463
   0.48438356  0.71350907  0.42748425
   0.69084426  0.59247418  0.54864523
   0.99086620  0.76948918  0.76240719
   0.50369459  1.59532818  2.10965144
   0.78877233  0.90900125  0.78060846
   0.97483904  0.90255099  0.69540510
   0.73501784  0.96111842  0.66089372
   0.81563093  0.85997723  0.98159873
   0.51735591  0.72904131  0.94629041
   7.86457399  5.18200036  0.42458819
   2.04103380 -0.02127340  2.06253695
   1.91234642  1.58723042  3.05797566
   3.22347162  3.35787049 -1.30458266
  -5.17615215 -0.65649239 -1.91218810
   1.93005299 -3.46219023  4.20486928
  -0.16530554 -0.89354785 -1.25186286
   0.27597714 -0.99281259 -0.44663037
   0.25727610  0.94120205 -4.67422803
   6.32193964  5.34802740  0.72603426
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.639398   -2.877511   -2.602848
    -0.000000   25.281173    1.686804
    -0.000000    0.000000   27.134135
   Si   O    H 
    32    64    10
Direct configuration=  3989
   0.12377366  0.30301249  0.01119010
   0.29345945  0.07892943  0.45499452
   0.29299061  0.49141977 -0.00307607
   0.86631733 -0.16573778  0.54593827
   0.20140617 -0.24663319  0.10751237
   0.27549450 -0.01795314  0.83915922
   0.27433985  0.38367837  0.68043083
   0.30472177  0.38145217  0.77769677
   0.17841183  0.71899965  0.05622581
   0.43628449  0.59448701  0.41892043
   0.14439034  0.98410848  0.10805758
   0.32136921  0.88105043  0.26576056
   0.21453422  0.62967977  0.52706140
   0.43947144  0.79752359  0.90606102
   0.11916665  0.92799652  0.67799785
   0.28591587  0.87991370  0.73681061
   0.54142491  0.01433594  0.91889816
   0.69301132  0.17561251  0.42053532
   0.79776618  0.49899832  0.11968549
   1.04632471  0.48338584  0.22825181
   0.61847595  0.16643053  0.41797623
   0.85347667  0.18437894  0.89454404
   0.55191978  0.41726395  0.58292198
   0.99450662  0.40605756  0.84135388
   0.46065530  0.69684200  0.01225023
   0.47726014  0.41207743  0.54084266
   0.55570022  0.86761058  0.12301000
   0.76311151  0.42217715 -0.42004815
   0.59316656  0.63950508  0.55017340
   0.94887074  0.68467847  0.91215207
   0.53817455  0.94668825  0.68568916
   0.77975775  0.87249109  0.87036769
   0.01666798 -0.02097157  0.08624032
   0.39827092  0.18820855  0.35596908
   0.03435271  0.16811335  0.06744942
   0.29376830  0.59590020  0.32782125
   0.50039279  0.26543971  0.16597651
   0.06129822  0.37709452  0.23351916
   0.12182370  0.01960551  0.42950317
  -0.09992832  0.10974809  0.45154879
   0.15320432  0.03677857  0.48301424
   0.18948374  0.36148572  0.74209138
   0.13895160  0.33499523  0.58048348
   0.43831231  0.42837641  0.79372822
   0.41344291  0.36833969  0.58560046
   0.18353887  0.43014661  0.73480380
   0.16648166  0.04043002 -0.14213197
   0.02481472  0.09318317  0.86696094
   0.20406461  0.65616470  0.07887055
   0.29031105  0.79861421  0.27457979
   0.01325637  0.77057268  0.05299554
   0.50704917  0.94557417  0.25092977
   0.38519618  0.89763635  0.18408239
   0.28017726  0.97476211  0.10534960
   0.36538745  0.67688330  0.36122990
   0.03369375  0.62471701  0.49805470
   0.33616734  0.39903201  0.59430705
   0.41511478  0.87993498  0.75092475
  -0.02228612  0.69406385  0.47389580
   0.46673744  1.23075782  0.79985691
   0.46257865  0.98128939  0.63699852
   0.18555366  0.88997123  0.62353614
   0.17191008  0.74827083 -0.04444099
   0.04421996  0.78647252  0.97799036
   0.50367562 -0.06074030 -0.08546234
   1.08849632  0.27749931  0.09415497
   1.03429366  0.53920024 -0.00435402
   0.56269743  0.38064642  0.45501617
  -0.09381052  0.36284835  0.14901400
   0.60504784  0.59322475  0.19767077
   0.64557667  0.21956264  0.36317192
   0.43818986  0.11585542  0.47174285
   0.65522096  0.06108431  0.54760415
   1.04743538  0.39775862  0.71822290
   0.55421621  0.31729587  0.51210220
   0.80340453  0.45695399  0.96432187
   1.06552380  0.56656597  0.53243361
   0.66381666  0.43433107  0.63612089
   0.79191672  0.04981105  0.92641158
   0.29255056 -0.00585665  0.97313547
   0.47643783  0.61092622 -0.00433386
   0.79508741  0.84625395  0.20398525
   0.17687854  0.41902165  0.29735929
   0.89436341  1.01235278  0.28350183
   0.93362808  0.91786644  0.01300932
   0.59132098  0.85844380  0.21248851
   1.09759915  0.85253252  0.24903160
   0.47959851  0.71439227  0.42761528
   0.69254944  0.59012349  0.55122839
   0.99742028  0.76880514  0.75795027
   0.50444052  1.59909277  2.10623978
   0.79357277  0.90943852  0.78155195
   0.97137013  0.89906036  0.69275401
   0.73361537  0.96084133  0.66081343
   0.81189418  0.86842202  0.97992570
   0.51889562  0.72767435  0.94518432
   8.03169901  5.20267645  0.40874206
   2.05800863  0.00884011  2.05183329
   1.87431416  1.56881204  3.09004809
   3.18790408  3.32237003 -1.36536983
  -5.19342684 -0.74974006 -1.83301114
   2.01414480 -3.46892508  4.21154154
  -0.17192303 -0.90407075 -1.21573087
   0.33236669 -0.98361283 -0.46172354
   0.30203087  0.94196081 -4.71655575
   6.56081907  5.39077705  0.84020198
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.646473   -2.853654   -2.678207
    -0.000000   25.325234    1.617169
    -0.000000    0.000000   27.399461
   Si   O    H 
    32    64    10
Direct configuration=  3990
   0.12225392  0.30582418  0.00980455
   0.28394883  0.07420004  0.46000666
   0.29230430  0.48953832 -0.00217312
   0.86646078 -0.16762052  0.54833388
   0.20014991 -0.25469809  0.10275117
   0.27446894 -0.01947511  0.83819440
   0.27393104  0.38706875  0.68106283
   0.31235813  0.38013256  0.77839760
   0.18750950  0.72411615  0.06398172
   0.44009337  0.59610332  0.42037212
   0.13920489  0.98200866  0.10619740
   0.32260937  0.88363963  0.26106860
   0.21230333  0.62441175  0.52656324
   0.44468983  0.79839784  0.90728769
   0.11988001  0.92426352  0.67960216
   0.27995172  0.87688648  0.73736729
   0.53833094  0.01409602  0.91737630
   0.69465634  0.17923693  0.42145616
   0.79708306  0.50084492  0.11888251
   1.04688826  0.48566919  0.22742190
   0.61145572  0.16223013  0.42040727
   0.85790582  0.18856773  0.89402915
   0.55877599  0.41631819  0.57559814
   1.00258326  0.40387417  0.84193854
   0.45732007  0.69608755  0.01276981
   0.47492441  0.41100942  0.53465966
   0.55575393  0.86584521  0.12005909
   0.76073489  0.42130789 -0.42365072
   0.58991613  0.63834454  0.55006809
   0.95143193  0.68833513  0.91275459
   0.53726082  0.94672326  0.68820027
   0.78280896  0.87506113  0.87357335
   0.02169588 -0.02218274  0.08897964
   0.40479244  0.18894749  0.35748293
   0.03964016  0.16925411  0.06355564
   0.29049640  0.59926269  0.33257569
   0.49461768  0.26437749  0.16178210
   0.06455956  0.37250976  0.23577577
   0.11962065  0.01723907  0.42278153
  -0.10237888  0.11025265  0.45362164
   0.16509270  0.04372135  0.48641737
   0.18025787  0.35801872  0.74493624
   0.15479735  0.33574448  0.57725313
   0.45302806  0.42856179  0.79618594
   0.39952413  0.35944684  0.58783929
   0.18681728  0.43642455  0.73739158
   0.16682172  0.03617989 -0.13969696
   0.03006087  0.09015263  0.86756582
   0.21390875  0.65327120  0.08812310
   0.28450593  0.78947704  0.27984444
  -0.00487565  0.77158613  0.05560250
   0.50805765  0.94613401  0.25159369
   0.38602093  0.90232957  0.18493567
   0.28624232  0.97613093  0.10310925
   0.36367808  0.67712250  0.35990617
   0.03720485  0.62967864  0.49696666
   0.31808186  0.39884978  0.59622789
   0.41470446  0.88144150  0.74667474
  -0.03271777  0.69376914  0.47318113
   0.47468122  1.24740193  0.80151706
   0.45459501  0.98113721  0.63432897
   0.17960144  0.89216306  0.61996355
   0.17461297  0.75252657 -0.04764688
   0.04349353  0.79163387  0.97244776
   0.50602646 -0.06215875 -0.08472383
   1.08487618  0.27112088  0.09578342
   1.04130928  0.54475312 -0.00561993
   0.55858272  0.38163193  0.45922972
  -0.09553670  0.36013513  0.14570488
   0.60444284  0.59490286  0.19274394
   0.64939726  0.21816592  0.36363902
   0.44408045  0.11895613  0.46758886
   0.65357364  0.05992084  0.54769349
   1.00914446  0.39983033  0.71500576
   0.55990211  0.32104485  0.51456233
   0.79665317  0.45152445  0.96377063
   1.07676004  0.57173855  0.53354731
   0.68264472  0.43636720  0.64639951
   0.79241093  0.03959163  0.92852774
   0.28219207 -0.00362153  0.97525584
   0.47940803  0.61197001 -0.00145841
   0.80016654  0.84716718  0.20116561
   0.16524566  0.42625252  0.29864064
   0.88966311  1.01259999  0.27944483
   0.92255587  0.91314922  0.01029475
   0.58189333  0.86008509  0.21835219
   1.10534891  0.85136424  0.25020691
   0.47491855  0.71355851  0.42759780
   0.69530094  0.58727063  0.55330635
   1.00465364  0.76813903  0.75473932
   0.50696229  1.60282061  2.10303761
   0.79829981  0.91027044  0.78257531
   0.96854726  0.89561967  0.68966895
   0.73206495  0.96094131  0.66010209
   0.80956171  0.87688257  0.97787875
   0.51947011  0.72739636  0.94366143
   8.18510741  5.23973036  0.39216873
   2.07315977  0.05041012  2.04785135
   1.84831588  1.51403397  3.14143130
   3.13611013  3.28855572 -1.40236354
  -5.21827931 -0.81085684 -1.77074050
   2.12722156 -3.54634268  4.22908156
  -0.16964114 -0.91913003 -1.16367369
   0.33905226 -0.97967053 -0.47979894
   0.34052826  0.89917837 -4.76404388
   6.75497508  5.42502563  0.94141603
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.653726   -2.830750   -2.751819
    -0.000000   25.367554    1.549927
    -0.000000    0.000000   27.659206
   Si   O    H 
    32    64    10
Direct configuration=  3991
   0.12113790  0.30923609  0.00657456
   0.27787156  0.07085104  0.46355951
   0.29195114  0.48786326 -0.00159172
   0.86649656 -0.16915683  0.55054304
   0.19915572 -0.26143031  0.10385680
   0.27529448 -0.02129741  0.83758286
   0.27265458  0.38972012  0.68348430
   0.31813257  0.37889619  0.77798772
   0.19157706  0.72678984  0.06267172
   0.44537811  0.59823556  0.42307171
   0.13227822  0.98003315  0.10424637
   0.32748811  0.88964138  0.25442654
   0.20885139  0.61881354  0.52571131
   0.45168713  0.79875564  0.90849960
   0.12067831  0.92012405  0.68042009
   0.27310531  0.87446545  0.73800060
   0.53363048  0.01374807  0.91605517
   0.70766176  0.18364003  0.42461135
   0.79740747  0.50190338  0.11818574
   1.04931981  0.48386105  0.22757066
   0.59388507  0.15585495  0.42214978
   0.86192321  0.19351883  0.89315470
   0.57238205  0.41614782  0.57657149
   1.00928647  0.40122851  0.84149737
   0.45548374  0.69617086  0.01408711
   0.45944163  0.40785548  0.52671808
   0.55706953  0.86426401  0.11838468
   0.75878079  0.42066335 -0.42688395
   0.58777643  0.63681280  0.55018717
   0.95548841  0.69310129  0.91474457
   0.53458577  0.94677199  0.69007107
   0.78657725  0.87782162  0.87559768
   0.02773412 -0.02330070  0.08847166
   0.41065999  0.18963694  0.35868073
   0.04581553  0.17136230  0.06082929
   0.28315182  0.60051943  0.33563985
   0.48924047  0.26324005  0.15817128
   0.06358940  0.36885757  0.23741069
   0.12432907  0.01851953  0.42367568
  -0.10617642  0.11075733  0.45600900
   0.16762285  0.04727428  0.48425219
   0.17654135  0.36075298  0.74620788
   0.17565993  0.33781453  0.57441975
   0.46777146  0.42896753  0.79951314
   0.39640494  0.36003597  0.58519516
   0.17820316  0.43555291  0.73911921
   0.16594026  0.03319705 -0.13617976
   0.03761739  0.08725086  0.86758070
   0.22410698  0.65530620  0.09863666
   0.27342308  0.77977256  0.28417911
  -0.01923657  0.77284509  0.05671282
   0.50887223  0.94578428  0.25308874
   0.38623642  0.90705536  0.18411642
   0.29095803  0.97702609  0.09981409
   0.36376540  0.67966094  0.35896282
   0.04237851  0.63155337  0.49766725
   0.29258054  0.39304831  0.59615937
   0.41535007  0.88375636  0.74168560
  -0.04399082  0.69386138  0.47209650
   0.48330722  1.26099984  0.80338730
   0.44838812  0.97967620  0.63321655
   0.17442672  0.89581436  0.61736495
   0.16931645  0.75857732 -0.04940299
   0.04957803  0.78975290  0.96933833
   0.51125132 -0.06208881 -0.08372729
   1.07768886  0.26373044  0.09949716
   1.04617237  0.55040118 -0.00726789
   0.55626797  0.38226176  0.46158955
  -0.09340049  0.35947775  0.14320532
   0.60077153  0.59690549  0.18628802
   0.65127082  0.21936967  0.36189134
   0.44710622  0.11964110  0.46494411
   0.65238878  0.05817638  0.54824468
   0.98332494  0.40333776  0.71508443
   0.56716369  0.32095745  0.51477086
   0.78746581  0.44446929  0.96134654
   1.08775984  0.57930537  0.53298732
   0.69585335  0.43747765  0.65315594
   0.79133602  0.02781986  0.93109348
   0.27442103 -0.00088616  0.97616693
   0.48207708  0.61040425  0.00052901
   0.79861868  0.84713229  0.19823116
   0.15242084  0.43410410  0.29845723
   0.88525925  1.01307894  0.27571830
   0.91239893  0.91135929  0.01051191
   0.57905049  0.86204242  0.22166315
   1.11749649  0.84990501  0.25211126
   0.47147109  0.71252315  0.42809783
   0.69830722  0.58407823  0.55455259
   1.01251023  0.76791222  0.75202616
   0.51208398  1.60719455  2.10088097
   0.80229764  0.91106823  0.78377072
   0.96644379  0.89242302  0.68694203
   0.73042586  0.96142208  0.65941498
   0.81094253  0.88488895  0.97700851
   0.51823701  0.72810919  0.94198379
   8.34345587  5.26958394  0.38420266
   2.05476774  0.03304258  2.07170364
   1.83177549  1.45680167  3.19049802
   3.12277820  3.28894027 -1.43092510
  -5.22247968 -0.86008092 -1.72157600
   2.19309298 -3.58022637  4.22652154
  -0.17485714 -0.92317905 -1.12290195
   0.33553802 -0.96572520 -0.50446615
   0.26045079  0.80537321 -4.73620091
   6.98799558  5.48650970  1.05230556
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.661254   -2.808038   -2.824915
    -0.000000   25.409041    1.484319
    -0.000000    0.000000   27.913554
   Si   O    H 
    32    64    10
Direct configuration=  3992
   0.11975499  0.31213227  0.00349228
   0.28647965  0.06853888  0.46656641
   0.29261271  0.48656281 -0.00103504
   0.86657004 -0.17055116  0.55243531
   0.19643434 -0.26689962  0.11011782
   0.27745778 -0.02326306  0.83761363
   0.27083779  0.39130178  0.68788831
   0.32148805  0.37865112  0.77594486
   0.19242601  0.72681779  0.05412468
   0.45051724  0.60013189  0.42573019
   0.11980620  0.97744591  0.10180797
   0.32624572  0.89198186  0.25047057
   0.20882452  0.61390036  0.52485087
   0.45936777  0.79853918  0.90994768
   0.12251903  0.91570216  0.68078972
   0.26522371  0.87290452  0.73806314
   0.52735901  0.01283232  0.91463422
   0.72799176  0.18756493  0.42946448
   0.79826658  0.50214128  0.11773837
   1.04805082  0.48132401  0.22677333
   0.57230483  0.14774821  0.42367506
   0.86445954  0.19845076  0.89219075
   0.57367334  0.41551646  0.57574637
   1.01475123  0.39845779  0.83981800
   0.45462714  0.69710022  0.01639497
   0.45738694  0.40470261  0.52692253
   0.55803749  0.86288923  0.11898328
   0.75663967  0.42031703 -0.42929059
   0.58695830  0.63470185  0.55080849
   0.95834736  0.69747735  0.91718713
   0.53090607  0.94679726  0.69112519
   0.79010074  0.88060008  0.87645163
   0.04177424 -0.02554383  0.08739366
   0.41660123  0.19084779  0.36062708
   0.05331876  0.17466512  0.05901533
   0.27400939  0.60042165  0.33800417
   0.48412638  0.26242545  0.15525459
   0.05803228  0.36696980  0.23862872
   0.13263259  0.02152246  0.42779691
  -0.11389534  0.11251200  0.45814269
   0.15146448  0.04653439  0.48287179
   0.17937858  0.36773184  0.74615136
   0.19459327  0.33870097  0.57184306
   0.48100834  0.42878750  0.80298390
   0.39767239  0.36526875  0.57876313
   0.15848867  0.42924084  0.73950952
   0.16802493  0.03027980 -0.13243897
   0.04045821  0.08517542  0.86749284
   0.23321211  0.66112748  0.10761626
   0.25936114  0.77517606  0.28544373
  -0.02620054  0.77318068  0.05635047
   0.51299985  0.94643480  0.25300029
   0.39031147  0.91364411  0.18008137
   0.29741848  0.97672639  0.09655599
   0.36637037  0.68232629  0.35919220
   0.04413470  0.63449397  0.49732706
   0.26909824  0.38804415  0.59615170
   0.41658388  0.88593104  0.73687307
  -0.05583061  0.69297854  0.47037686
   0.49216864  1.27219823  0.80553185
   0.44409208  0.97721589  0.63386462
   0.16971493  0.90023155  0.61601758
   0.16402730  0.76566555 -0.05075750
   0.05655761  0.78614777  0.96947756
   0.51990104 -0.06016655 -0.08292623
   1.06795690  0.25554777  0.10172433
   1.05266657  0.55881221 -0.01003406
   0.55543066  0.38238165  0.46179257
  -0.08651178  0.36080080  0.14274652
   0.59424834  0.59916157  0.17773967
   0.64936584  0.22076058  0.35712746
   0.44666887  0.11938740  0.46248331
   0.65169872  0.05597750  0.54962519
   0.97083039  0.40780882  0.71907210
   0.57349467  0.31872238  0.51405050
   0.77606323  0.43657371  0.95841851
   1.09652227  0.58471773  0.53351932
   0.69912380  0.43687007  0.65363346
   0.78640993  0.01529915  0.93262017
   0.26830195  0.00172630  0.97625908
   0.48558139  0.60626587  0.00146877
   0.79300244  0.84617889  0.19536671
   0.14094441  0.43916204  0.30012995
   0.88036207  1.01624621  0.27263057
   0.90798243  0.91332894  0.01398838
   0.57912743  0.86405375  0.22069849
   1.13215750  0.84758444  0.25477618
   0.46854212  0.71383176  0.42841968
   0.70105926  0.58174434  0.55541811
   1.02006816  0.76837179  0.74937667
   0.51976535  1.61239376  2.09992289
   0.80501329  0.91152854  0.78468185
   0.96456218  0.88910618  0.68479242
   0.72888704  0.96222263  0.65934629
   0.81001013  0.89101840  0.97649358
   0.51501615  0.72873879  0.94020186
   8.49227030  5.29320708  0.37576924
   1.96202011  0.03449646  2.07563830
   1.87251102  1.42124178  3.22518650
   3.12003993  3.28877404 -1.45578200
  -5.21631915 -0.91756118 -1.66385897
   2.32954439 -3.59191549  4.20414334
  -0.10967011 -0.92099564 -1.07895790
   0.21126176 -0.89987126 -0.59027530
   0.21735922  0.71432843 -4.67992920
   7.21589391  5.51740069  1.17620736
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.669621   -2.785441   -2.897402
    -0.000000   25.450452    1.421365
    -0.000000    0.000000   28.162493
   Si   O    H 
    32    64    10
Direct configuration=  3993
   0.11741521  0.31402395  0.00216890
   0.29795640  0.06707000  0.46833294
   0.29340509  0.48539788 -0.00038289
   0.86620560 -0.17192129  0.55416285
   0.18767647 -0.26872110  0.11326122
   0.28047549 -0.02499485  0.83863155
   0.27095220  0.39213380  0.69539483
   0.32413542  0.38035080  0.77126552
   0.19421932  0.72607170  0.04724871
   0.45502156  0.60116159  0.42763509
   0.11992793  0.97438194  0.10047576
   0.32476596  0.89350646  0.24775594
   0.21153050  0.60956262  0.52394233
   0.46668686  0.79790154  0.91174825
   0.12625257  0.91093217  0.68151654
   0.25610392  0.87263493  0.73671727
   0.52088899  0.01148688  0.91335317
   0.72997243  0.18632833  0.43182467
   0.79999548  0.50174126  0.11788839
   1.04439295  0.47755363  0.22470623
   0.57038316  0.14373664  0.42719157
   0.86693983  0.20173722  0.89166058
   0.56349044  0.41437198  0.57200781
   1.01738759  0.39575910  0.83679302
   0.45316563  0.69835801  0.01908585
   0.47293661  0.40465994  0.53187724
   0.55927933  0.86199996  0.12120514
   0.75322272  0.42022655 -0.43101240
   0.58782647  0.63223208  0.55184745
   0.95728253  0.69867574  0.91896941
   0.52748615  0.94711384  0.69139836
   0.79330591  0.88305671  0.87636189
   0.02907503 -0.02357036  0.08279483
   0.42106582  0.19249681  0.36276613
   0.06017301  0.17839159  0.05806249
   0.26851291  0.59964922  0.34149189
   0.48024677  0.26197599  0.15277412
   0.05015635  0.36805325  0.24021856
   0.13953608  0.02228265  0.43191832
  -0.12163120  0.11547108  0.46056660
   0.13199100  0.04595633  0.48258008
   0.18011909  0.37142727  0.74563939
   0.20153459  0.33340806  0.56741809
   0.49431210  0.42772688  0.80646642
   0.39737470  0.36967039  0.57508802
   0.13302465  0.42355968  0.73853919
   0.17378334  0.02741717 -0.12966091
   0.03953186  0.08475591  0.86852373
   0.24384412  0.66247090  0.11397724
   0.24333853  0.77559976  0.28501234
  -0.02330758  0.77230639  0.05474942
   0.51793805  0.94750676  0.25260163
   0.39550573  0.92219013  0.17394012
   0.30255324  0.97634399  0.09411150
   0.36695515  0.68350448  0.35943023
   0.04121782  0.63919743  0.49586946
   0.25735629  0.38911977  0.59802074
   0.41776506  0.88712127  0.73343484
  -0.06595978  0.69098209  0.46843842
   0.50221341  1.28137035  0.80777010
   0.44212388  0.97480646  0.63497609
   0.16371503  0.90490320  0.61619107
   0.17088457  0.77232871 -0.05087802
   0.05649025  0.78758448  0.97463284
   0.53111018 -0.05671641 -0.08227786
   1.05868506  0.24820018  0.10059072
   1.05777568  0.56678270 -0.01264981
   0.55618299  0.38030613  0.46118732
  -0.07846371  0.36416797  0.14437389
   0.58397933  0.60058751  0.16741901
   0.65194530  0.22179173  0.35407391
   0.44015495  0.11825900  0.45997039
   0.65099040  0.05341477  0.55122495
   0.96949968  0.41275063  0.72773123
   0.57765342  0.31713937  0.51190279
   0.76533140  0.42889745  0.95543007
   1.10467056  0.58832335  0.53558187
   0.69392774  0.43520980  0.64879452
   0.78018428  0.00349370  0.93375074
   0.26378861  0.00392113  0.97580707
   0.49208941  0.60194918  0.00293724
   0.78584405  0.84495970  0.19293417
   0.13112541  0.44035347  0.30269710
   0.87662970  1.01894596  0.26972133
   0.90979417  0.91791091  0.02053296
   0.58454941  0.86528951  0.21617255
   1.14538129  0.84377890  0.25772681
   0.46795234  0.71738586  0.42953018
   0.70286931  0.58007804  0.55590069
   1.02606396  0.76995117  0.74665182
   0.52762921  1.61783796  2.09849622
   0.80657569  0.91153824  0.78545431
   0.96223545  0.88553682  0.68341681
   0.72743303  0.96304617  0.65991391
   0.80399110  0.89461449  0.97531538
   0.51040730  0.72914305  0.93934403
   8.60778182  5.33054442  0.37044296
   1.95315081 -0.03888043  2.07810527
   1.95031341  1.39721069  3.24765270
   3.10289762  3.27660409 -1.48319021
  -5.22860937 -0.96047470 -1.61110803
   2.44174714 -3.59098279  4.17328446
  -0.02713556 -0.87953540 -1.06718326
   0.12391469 -0.80283970 -0.66644289
   0.15689404  0.61712012 -4.61850992
   7.44868208  5.55059262  1.27031993
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.680669   -2.763851   -2.968585
    -0.000000   25.491399    1.359873
    -0.000000    0.000000   28.405314
   Si   O    H 
    32    64    10
Direct configuration=  3994
   0.11441844  0.31454494  0.00247341
   0.30383533  0.06629223  0.46853108
   0.29348541  0.48425752  0.00080645
   0.86549724 -0.17295988  0.55569375
   0.17529134 -0.26966578  0.10965282
   0.28345033 -0.02675894  0.84037514
   0.27941186  0.39256862  0.70642264
   0.32779497  0.38387240  0.76146806
   0.19647159  0.72494814  0.04684577
   0.45853799  0.60307474  0.42869268
   0.11587078  0.97128818  0.09862739
   0.32632460  0.89331135  0.24533857
   0.21452107  0.60556478  0.52257118
   0.47347675  0.79765204  0.91363583
   0.13578371  0.90499372  0.68460542
   0.24442108  0.87539385  0.73206865
   0.51516310  0.00974085  0.91267502
   0.71407140  0.18014883  0.43171726
   0.80156102  0.50110028  0.11868113
   1.03877256  0.47272675  0.22208115
   0.58428170  0.14402518  0.43199498
   0.86879994  0.20540804  0.89100512
   0.56378053  0.41505567  0.57354145
   1.01786167  0.39329629  0.83366650
   0.45113842  0.69935801  0.02146601
   0.48746397  0.40671396  0.53099717
   0.55936683  0.86130959  0.12362571
   0.74975213  0.42029350 -0.43223547
   0.58940196  0.62954245  0.55281631
   0.95272515  0.69754939  0.92015188
   0.52425865  0.94757456  0.69113516
   0.79746471  0.88555849  0.87589713
   0.01790597 -0.02131375  0.07930985
   0.42752864  0.19441649  0.36495568
   0.06476882  0.18055192  0.05553631
   0.26637441  0.60008136  0.34436961
   0.47781808  0.26281034  0.15063090
   0.04153900  0.37061294  0.24091829
   0.14824532  0.02305278  0.43550444
  -0.12883232  0.12030328  0.46382657
   0.11719404  0.04601097  0.48358735
   0.16038671  0.36740954  0.74671055
   0.20070987  0.32525814  0.56142090
   0.51005663  0.42709093  0.81066853
   0.38459690  0.36917085  0.57872571
   0.11685581  0.42277757  0.73691364
   0.17781676  0.02547326 -0.12857141
   0.04053077  0.08551803  0.86945478
   0.25428888  0.66414181  0.11715186
   0.23080012  0.78089692  0.28278907
  -0.01443112  0.77053758  0.05294016
   0.51948731  0.94774008  0.25084689
   0.40055328  0.93225415  0.16927450
   0.31279636  0.97580269  0.09136749
   0.36918539  0.67944344  0.36211594
   0.03582679  0.64360423  0.49399207
   0.25107749  0.39118229  0.59902791
   0.41819269  0.88639714  0.73193760
  -0.07434988  0.68795741  0.46640242
   0.51228725  1.28944689  0.80979201
   0.44291190  0.97310886  0.63588297
   0.15778880  0.90902368  0.61685036
   0.18692117  0.77817160 -0.04981077
   0.05109645  0.79345740  0.98299284
   0.53819577 -0.05312347 -0.08261530
   1.05061058  0.24295674  0.09696804
   1.06264148  0.57355390 -0.01581330
   0.55919938  0.37710792  0.45962730
  -0.06935606  0.36917686  0.14845014
   0.57292664  0.60161696  0.15898821
   0.65881849  0.22199350  0.35356441
   0.43449461  0.11576338  0.45927214
   0.65036282  0.05086553  0.55292312
   0.96607073  0.41598682  0.73822159
   0.57990405  0.31635733  0.50924296
   0.75460756  0.42104650  0.95258121
   1.11240495  0.59220781  0.53722660
   0.68089524  0.43287295  0.63965354
   0.77511457 -0.00611521  0.93458587
   0.26212929  0.00490171  0.97610184
   0.50215771  0.59977992  0.00731870
   0.78138025  0.84369943  0.19121957
   0.12538890  0.44030450  0.30614163
   0.87436832  1.02230900  0.26754039
   0.90947988  0.92092906  0.02610321
   0.59362540  0.86604761  0.21048180
   1.14746377  0.84000010  0.25977422
   0.46765484  0.72173099  0.43028412
   0.70400339  0.57916979  0.55632266
   1.02849656  0.77164493  0.74372746
   0.53302496  1.62301109  2.09237106
   0.80720238  0.91119232  0.78654472
   0.95787214  0.88108745  0.68239327
   0.72590081  0.96367111  0.66110048
   0.79923651  0.89772557  0.97446544
   0.50569626  0.72806248  0.93984690
   8.69626263  5.39672336  0.36883837
   1.94886448 -0.10958547  2.07898789
   2.02826317  1.41043957  3.23413324
   3.13286087  3.28132149 -1.48450074
  -5.25035277 -1.01746590 -1.58993241
   2.54516775 -3.61749707  4.12761352
   0.06343602 -0.86169092 -1.03615176
   0.03360658 -0.71907893 -0.73004620
   0.08519378  0.51972241 -4.54205843
   7.65088263  5.58755555  1.36359473
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.692724   -2.740785   -3.037831
    -0.000000   25.532217    1.300033
    -0.000000    0.000000   28.643179
   Si   O    H 
    32    64    10
Direct configuration=  3995
   0.11202307  0.31486455  0.00430501
   0.30427316  0.06559720  0.46710919
   0.29378904  0.48366699  0.00195094
   0.86464506 -0.17386786  0.55702113
   0.16254600 -0.27115989  0.10051304
   0.28620648 -0.02876917  0.84234863
   0.28386055  0.39261762  0.71651128
   0.33210217  0.38732853  0.75096144
   0.19626168  0.72538022  0.05101074
   0.45834560  0.60567603  0.42907511
   0.11074672  0.96898075  0.09562970
   0.32990161  0.89212730  0.24280968
   0.22014997  0.60284152  0.52105919
   0.48038000  0.79798035  0.91563317
   0.15795907  0.89575443  0.69424627
   0.23173835  0.88376038  0.72165796
   0.51166454  0.00769107  0.91276604
   0.69334169  0.17223661  0.42923252
   0.80208848  0.50033738  0.11949154
   1.03297407  0.46712878  0.21993465
   0.59740291  0.14651319  0.43683068
   0.87178352  0.20769990  0.89072959
   0.57436748  0.41665847  0.58111185
   1.01772279  0.39047878  0.83404583
   0.44872079  0.70055657  0.02291110
   0.48918244  0.40725679  0.52401863
   0.55801799  0.86106341  0.12406337
   0.74773610  0.42069420 -0.43287283
   0.59189127  0.62672954  0.55381854
   0.94984680  0.69781480  0.92199570
   0.52162787  0.94730693  0.69129090
   0.80227000  0.88839402  0.87637648
   0.01002495 -0.02064924  0.07725300
   0.43650502  0.19485306  0.36730073
   0.06869615  0.18260680  0.05285490
   0.26738942  0.60003649  0.34834574
   0.47342041  0.25937756  0.14955098
   0.03265011  0.37152706  0.24106432
   0.15785836  0.02506824  0.44106448
  -0.13996118  0.12815642  0.46634065
   0.10781517  0.04488939  0.48371039
   0.14413120  0.36258775  0.74730747
   0.20077212  0.31923052  0.55762368
   0.52245778  0.42617797  0.81459325
   0.37067704  0.37101396  0.58156572
   0.11762560  0.42378900  0.73371665
   0.17857562  0.02534624 -0.12889542
   0.04372966  0.08758233  0.87115651
   0.26109729  0.66883124  0.11692136
   0.22675042  0.78692831  0.28050926
  -0.00067094  0.76718647  0.05186786
   0.51796819  0.94684343  0.24835320
   0.40497716  0.94189184  0.16843482
   0.32112832  0.97593935  0.08756344
   0.37388161  0.67454541  0.36552746
   0.03160594  0.64663210  0.49372137
   0.24669292  0.38997299  0.60118224
   0.40940267  0.88418870  0.73210661
  -0.08035270  0.68546696  0.46453645
   0.52062637  1.29700519  0.81125314
   0.44401548  0.97263023  0.63557251
   0.15107899  0.91268790  0.61576778
   0.19596098  0.78298703 -0.04550999
   0.05119808  0.79628792  0.99047850
   0.53894705 -0.05003994 -0.08415138
   1.04491982  0.23883551  0.09127864
   1.06755411  0.57772856 -0.01912447
   0.56444610  0.37363404  0.45708526
  -0.06051499  0.37435779  0.15189353
   0.56342828  0.60230419  0.15275846
   0.66737804  0.22082028  0.35731748
   0.43901991  0.11398539  0.45909903
   0.64953235  0.04766897  0.55482177
   0.95132872  0.41894736  0.74467188
   0.58175526  0.31600908  0.50631534
   0.74551356  0.41345211  0.95011966
   1.11635117  0.59592522  0.53803725
   0.66987571  0.43079444  0.63099024
   0.77188446 -0.01476017  0.93441298
   0.26296764  0.00420376  0.97730141
   0.51343128  0.59822072  0.01311653
   0.77950649  0.84301857  0.18961713
   0.12356051  0.44059109  0.31145081
   0.87350213  1.02576591  0.26546870
   0.90898627  0.92208715  0.03173789
   0.60532696  0.86708711  0.20753437
   1.13708010  0.83940537  0.25981549
   0.46701823  0.72453598  0.43115473
   0.70452401  0.57859315  0.55590648
   1.02689526  0.77284770  0.74080028
   0.53681317  1.62795914  2.08361440
   0.80724508  0.91042882  0.78787909
   0.94701319  0.87587760  0.68099702
   0.72467625  0.96395708  0.66287630
   0.79589437  0.90079775  0.97321019
   0.50115670  0.72566379  0.94133615
   8.76481794  5.45137182  0.38635123
   1.92924296 -0.16903190  2.07674729
   2.10216438  1.47592088  3.19396383
   3.16022895  3.28183547 -1.47573804
  -5.25681043 -1.06766882 -1.56439189
   2.66476968 -3.57155243  4.07561297
   0.09604783 -0.83450842 -1.03237204
  -0.04875217 -0.65724496 -0.78596327
  -0.00167782  0.40522648 -4.47865074
   7.83490950  5.60980740  1.43503077
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.705884   -2.717051   -3.103670
    -0.000000   25.573343    1.241138
    -0.000000    0.000000   28.876461
   Si   O    H 
    32    64    10
Direct configuration=  3996
   0.11022483  0.31525552  0.00668351
   0.30078019  0.06499361  0.46479412
   0.29484878  0.48389408  0.00294457
   0.86335567 -0.17428709  0.55751627
   0.15365082 -0.27256111  0.09196148
   0.28836480 -0.03057304  0.84419312
   0.27431909  0.39298358  0.71812814
   0.34017792  0.38833419  0.75033489
   0.19618501  0.72528700  0.05653438
   0.45840407  0.60814140  0.43046188
   0.10753283  0.96729971  0.09145622
   0.33221915  0.89005518  0.23963596
   0.22407187  0.60001437  0.51962082
   0.48664664  0.79881533  0.91764283
   0.15892187  0.89147116  0.69472161
   0.24621721  0.88917816  0.71915491
   0.51140402  0.00562384  0.91397920
   0.69449965  0.17007772  0.42503210
   0.80128493  0.50037554  0.11952187
   1.02972924  0.46478302  0.21609474
   0.58556805  0.14334190  0.44253248
   0.87583848  0.20880445  0.89102724
   0.57287670  0.41613593  0.57967856
   1.01767679  0.38765914  0.83765153
   0.44613625  0.70190091  0.02298724
   0.49395100  0.40664296  0.52180791
   0.55487053  0.86096824  0.12182741
   0.74463902  0.42124486 -0.43308990
   0.59363538  0.62409621  0.55479811
   0.94894917  0.69977642  0.92440951
   0.51787671  0.94568001  0.69218913
   0.80731602  0.89258643  0.87904429
   0.00344217 -0.02240731  0.07623513
   0.44711821  0.19487736  0.36950264
   0.06973623  0.18441878  0.05034824
   0.26617833  0.59704345  0.35294954
   0.47261087  0.25637001  0.14958720
   0.03129316  0.37299074  0.24417125
   0.16897605  0.02726420  0.44711950
  -0.15444352  0.13602090  0.46813054
   0.10463084  0.04380541  0.48370351
   0.14811480  0.36257387  0.74514377
   0.20274371  0.31678677  0.55608420
   0.53072794  0.42414961  0.81679776
   0.36128767  0.37487318  0.58249697
   0.12524614  0.42266209  0.73073885
   0.17635398  0.02690552 -0.13007074
   0.04873963  0.08995111  0.87271646
   0.26072837  0.67704742  0.11173031
   0.23027356  0.79198479  0.27888520
   0.01238949  0.76506406  0.04803631
   0.51892981  0.94613226  0.24618535
   0.40890822  0.94894516  0.17096332
   0.32197614  0.97668565  0.08238880
   0.38204213  0.67525988  0.36670223
   0.02390329  0.65019342  0.49334722
   0.24200646  0.38556695  0.60112091
   0.39574379  0.88415050  0.73075668
  -0.08181293  0.68176536  0.46360922
   0.52490128  1.30504670  0.81108351
   0.44552313  0.97281618  0.63446556
   0.14741974  0.91587264  0.61724818
   0.19684678  0.78779306 -0.03942075
   0.05539978  0.79425543  0.99893353
   0.53281524 -0.04812017 -0.08701344
   1.03843433  0.23535690  0.08424026
   1.07319185  0.57943820 -0.02199634
   0.56907570  0.37044038  0.45515598
  -0.05223274  0.37860633  0.15561653
   0.55513878  0.60181531  0.14816769
   0.67437792  0.21770702  0.36260890
   0.45139074  0.11351249  0.45948013
   0.64747790  0.04473603  0.55697500
   0.93439743  0.42227258  0.74770267
   0.58301908  0.31677285  0.50493451
   0.73785079  0.40620597  0.94973848
   1.12278983  0.60037946  0.53748148
   0.67373579  0.43063352  0.62989501
   0.77136819 -0.02583098  0.93312638
   0.26662830  0.00177013  0.97852853
   0.52321631  0.59478344  0.01714570
   0.78045269  0.84225411  0.18779371
   0.12088132  0.43808157  0.31546189
   0.87270103  1.02979349  0.26299179
   0.90973567  0.92277938  0.03765457
   0.61844679  0.86957287  0.20890895
   1.11996089  0.84132819  0.25840111
   0.46652153  0.72584446  0.43285892
   0.70493767  0.57799598  0.55584394
   1.02169534  0.77286879  0.73857316
   0.54151406  1.63315845  2.07766823
   0.80658618  0.90940471  0.78903273
   0.93940788  0.87084776  0.68076189
   0.72376074  0.96391823  0.66543800
   0.79346418  0.90538537  0.96980825
   0.49594069  0.72313603  0.94280369
   8.79724979  5.48266017  0.39782868
   1.87394356 -0.22199434  2.07727523
   2.10398408  1.50003053  3.20667718
   3.18182102  3.26799569 -1.47234450
  -5.26660388 -1.13484311 -1.52542165
   2.76851829 -3.51715819  4.01268535
   0.08149254 -0.80748826 -1.05072952
  -0.17547732 -0.62418140 -0.85809209
  -0.08176942  0.30784561 -4.42462674
   8.03308676  5.65804791  1.50525679
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.718430   -2.690320   -3.162970
    -0.000000   25.609626    1.187088
    -0.000000    0.000000   29.105089
   Si   O    H 
    32    64    10
Direct configuration=  3997
   0.10844000  0.31555141  0.00867916
   0.29851649  0.06464240  0.46302970
   0.29555052  0.48401175  0.00374087
   0.86231680 -0.17462386  0.55790782
   0.14174562 -0.27369577  0.08726829
   0.29067051 -0.03203436  0.84602812
   0.25591176  0.39382975  0.71479949
   0.35753910  0.38829535  0.75431638
   0.19990538  0.72515228  0.05864711
   0.45834799  0.61043663  0.43142910
   0.10659566  0.96557737  0.08802508
   0.33412866  0.88820641  0.23670920
   0.22784225  0.59733475  0.51813248
   0.49238263  0.79913841  0.91962076
   0.14977920  0.88789833  0.69231782
   0.26895099  0.89376792  0.71970556
   0.51080823  0.00444233  0.91498646
   0.69768630  0.16871996  0.42090793
   0.80056209  0.50021995  0.11954346
   1.02638536  0.46210426  0.21290659
   0.57205498  0.13998077  0.44789458
   0.88005523  0.21009334  0.89119527
   0.57196962  0.41577154  0.57894516
   1.01746047  0.38502435  0.84062111
   0.44357635  0.70313028  0.02303008
   0.49702494  0.40612289  0.51893779
   0.55218216  0.86096686  0.12006750
   0.74191198  0.42157569 -0.43320485
   0.59615491  0.62148846  0.55577609
   0.94826605  0.70164533  0.92663100
   0.51418427  0.94399783  0.69266791
   0.81211418  0.89645828  0.88161342
  -0.00585657 -0.02311866  0.07472692
   0.45692545  0.19474169  0.37151402
   0.06932263  0.18737650  0.04875111
   0.26556498  0.59429430  0.35714293
   0.47157134  0.25376467  0.14958573
   0.02990809  0.37456447  0.24700252
   0.17670231  0.02883086  0.45283474
  -0.16900223  0.14306808  0.46942777
   0.10320571  0.04321710  0.48334302
   0.15056099  0.36438632  0.74245397
   0.20372646  0.31385081  0.55430142
   0.53817307  0.42224368  0.81852848
   0.35299093  0.37866065  0.58318754
   0.13344885  0.42001116  0.72887688
   0.17514889  0.02811725 -0.13105536
   0.05391826  0.09225688  0.87401723
   0.25996223  0.68484463  0.10685754
   0.23307105  0.79677875  0.27726051
   0.02475145  0.76379116  0.04394234
   0.52004094  0.94541923  0.24409323
   0.41195598  0.95473053  0.17332336
   0.32242330  0.97726733  0.07776409
   0.38997887  0.67563844  0.36781376
  -0.01085840  0.62962219  0.45733906
   0.23793560  0.38130570  0.60096060
   0.38395750  0.88443499  0.72959575
  -0.08287075  0.67882561  0.46287035
   0.52928808  1.31261553  0.81113852
   0.44704845  0.97287597  0.63387844
   0.14368695  0.91895339  0.61880199
   0.19821098  0.79209410 -0.03378245
   0.05868856  0.79214947  1.00712675
   0.52750725 -0.04748897 -0.08961319
   1.03365724  0.23081633  0.07721470
   1.07842897  0.58092206 -0.02476498
   0.57268555  0.36714709  0.45378555
  -0.04463007  0.38216274  0.15891073
   0.54740442  0.60123548  0.14447212
   0.68122266  0.21471468  0.36788165
   0.46304165  0.11323039  0.45984071
   0.64617758  0.04215735  0.55879820
   0.91893991  0.42513165  0.75096619
   0.58392766  0.31782514  0.50326547
   0.73050928  0.39983984  0.94955147
   1.12789466  0.60464656  0.53746845
   0.67765797  0.43039350  0.62898925
   0.77082201 -0.03620580  0.93203864
   0.26946885 -0.00041582  0.97967175
   0.53213819  0.59189635  0.02103713
   0.78127453  0.84160157  0.18618488
   0.11778718  0.43582502  0.31910000
   0.87220154  1.03333308  0.26061823
   0.90988964  0.92317124  0.04306622
   0.63113295  0.87188787  0.21034262
   1.10498761  0.84325596  0.25688182
   0.46628823  0.72706007  0.43433222
   0.70445017  0.57784174  0.55582540
   1.01684712  0.77271169  0.73635869
   0.54578880  1.63762426  2.07222665
   0.80578005  0.90832891  0.79012680
   0.93275970  0.86623203  0.68039373
   0.72300469  0.96398089  0.66776803
   0.79080470  0.90940509  0.96644553
   0.49174798  0.72138627  0.94387403
   8.82789183  5.51186853  0.40826093
   1.82658446 -0.27050007  2.07694298
   2.12609591  1.53087146  3.21415620
   3.20713637  3.26415298 -1.46378010
  -5.27198800 -1.19650030 -1.48898280
   2.86050781 -3.46990563  3.95842135
   0.06431875 -0.78218515 -1.06777928
  -0.28612890 -0.59086829 -0.92268521
  -0.15244428  0.22036933 -4.37737480
   7.64583502  6.07471690  1.13587920
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.737459   -2.657413   -3.208356
    -0.000000   25.649463    1.144544
    -0.000000    0.000000   29.338971
   Si   O    H 
    32    64    10
Direct configuration=  3998
   0.10677035  0.31652008  0.01037334
   0.29864954  0.06631903  0.46190124
   0.29701991  0.48513241  0.00423669
   0.85624844 -0.17629908  0.55621794
   0.12246100 -0.27336929  0.08665795
   0.29011915 -0.03278305  0.84759402
   0.24687198  0.39420072  0.70785471
   0.37612456  0.38831698  0.75999482
   0.20625476  0.72734145  0.05453202
   0.46009140  0.61150149  0.43416565
   0.10828831  0.96347439  0.08312068
   0.32961087  0.88560197  0.23344773
   0.23204137  0.59544299  0.51604892
   0.49808073  0.79945718  0.92170958
   0.13118762  0.88626362  0.68516385
   0.28222610  0.89926718  0.72040589
   0.51075740  0.00611769  0.91683357
   0.68685046  0.16406581  0.42052032
   0.79914706  0.50185364  0.11932360
   1.02728949  0.46474027  0.21101497
   0.57466487  0.14145571  0.44967137
   0.88089610  0.21131262  0.89114512
   0.56054194  0.41348436  0.57096423
   1.01588304  0.38311656  0.84334413
   0.44084274  0.70423359  0.02142833
   0.50304137  0.40506100  0.51940229
   0.55063053  0.86121922  0.11777828
   0.73809590  0.42179974 -0.43354271
   0.59786723  0.61950410  0.55598466
   0.94737065  0.70418342  0.92835324
   0.51169235  0.94249738  0.69295238
   0.81658032  0.90088984  0.88363676
  -0.01383413 -0.02400703  0.07385528
   0.46774112  0.19386284  0.37343391
   0.06807453  0.18854331  0.04460576
   0.26830986  0.59376540  0.36204293
   0.47276293  0.25139561  0.15027489
   0.03018182  0.37333918  0.25263310
   0.17795885  0.02770152  0.45724338
  -0.17215015  0.14878204  0.47293650
   0.10459853  0.04326944  0.48295091
   0.15389210  0.35748971  0.74426688
   0.20960668  0.31527588  0.55538985
   0.54028950  0.41605313  0.81819835
   0.34654876  0.38206317  0.58320243
   0.12512497  0.42762742  0.72702669
   0.17565815  0.02845486 -0.13246274
   0.05990915  0.09502572  0.87478735
   0.27268896  0.68507144  0.10782317
   0.24141873  0.79823659  0.27703457
   0.02763557  0.75870228  0.04492200
   0.52743701  0.94485755  0.24279874
   0.41198874  0.95818563  0.17601166
   0.31528765  0.97756561  0.07533270
   0.39320929  0.67815005  0.36543569
  -0.04403506  0.61028470  0.42761805
   0.23323093  0.37482612  0.59924636
   0.39814916  0.88403404  0.73049365
  -0.07988055  0.67370852  0.46187405
   0.53375958  1.32235584  0.81070381
   0.44768125  0.97229978  0.63438859
   0.14517685  0.92094655  0.62559841
   0.19225447  0.79461398 -0.02650857
   0.07017839  0.79492957  1.00745555
   0.52525160 -0.05303757 -0.09302992
   1.02529667  0.22811114  0.07169262
   1.08742503  0.58126719 -0.02702572
   0.57569648  0.36609804  0.45269572
  -0.03915542  0.38167981  0.16064381
   0.54037247  0.60202424  0.14005025
   0.68954667  0.21592693  0.36867043
   0.45763917  0.10800753  0.46228022
   0.64337166  0.03917949  0.56011225
   0.91030023  0.42664370  0.75584513
   0.58446961  0.31904676  0.50367562
   0.72333147  0.39363941  0.94998939
   1.12880664  0.60888398  0.53525655
   0.69254367  0.43214211  0.63434446
   0.76577778 -0.04449701  0.93014003
   0.27275387 -0.00282391  0.97940515
   0.53697212  0.58816406  0.02312810
   0.78014900  0.84146776  0.18425925
   0.11059470  0.43193168  0.31816477
   0.87280613  1.03787751  0.25847520
   0.91337188  0.92333261  0.04907208
   0.64220686  0.87549597  0.21352858
   1.09498907  0.84890907  0.25333507
   0.46470702  0.72717907  0.43526980
   0.70548311  0.57723724  0.55599434
   1.00886742  0.77176603  0.73427585
   0.55580522  1.63866949  2.07359667
   0.80414739  0.90615333  0.79203322
   0.93557633  0.86279294  0.68200578
   0.72267430  0.96322997  0.67092404
   0.79005409  0.91129560  0.96318049
   0.48776550  0.72104158  0.94432194
   8.86140756  5.55911762  0.43922143
   1.79948628 -0.31039645  2.06655460
   2.10999865  1.52872949  3.22069371
   3.22438588  3.24852788 -1.45982584
  -5.19821788 -1.22952007 -1.42152849
   2.92140752 -3.42229683  3.90587672
   0.11750258 -0.76299469 -1.06613510
  -0.39650179 -0.58705168 -1.00887711
  -0.22378398  0.14669066 -4.33784641
   7.19816453  6.45235261  0.70509070
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.760775   -2.619610   -3.242701
    -0.000000   25.691965    1.111213
    -0.000000    0.000000   29.576468
   Si   O    H 
    32    64    10
Direct configuration=  3999
   0.10617841  0.31818936  0.01183738
   0.30013206  0.06871257  0.46154352
   0.29926260  0.48660636  0.00440212
   0.84980591 -0.17845788  0.55446348
   0.11303586 -0.27315325  0.08551421
   0.28667857 -0.03318163  0.84900683
   0.24667489  0.39463484  0.70493993
   0.38607431  0.38762907  0.76099921
   0.20573588  0.72889362  0.05264479
   0.46232254  0.61213357  0.43802026
   0.11463054  0.96134871  0.07676968
   0.32430595  0.88395662  0.23022776
   0.23765950  0.59435616  0.51380180
   0.50351329  0.80004117  0.92421527
   0.12790039  0.88592815  0.68356730
   0.26928496  0.90369342  0.71631698
   0.51209256  0.00734488  0.91904680
   0.66170621  0.15557651  0.42375483
   0.79745058  0.50379179  0.11889063
   1.03353138  0.47107287  0.21180537
   0.59393868  0.14795963  0.44748580
   0.88175332  0.21212202  0.89122117
   0.55191265  0.41201857  0.56694643
   1.01398278  0.38207624  0.84535298
   0.43833392  0.70482259  0.01871048
   0.50616684  0.40259772  0.51740211
   0.55222869  0.86152927  0.11709655
   0.73612395  0.42243513 -0.43309466
   0.59766037  0.61812156  0.55550299
   0.94694693  0.70762280  0.92960676
   0.51190747  0.94188191  0.69243517
   0.82037013  0.90572872  0.88425187
  -0.01780023 -0.02036920  0.07554616
   0.47750696  0.19210355  0.37540614
   0.06790942  0.18756993  0.03831533
   0.27608152  0.59653207  0.36647863
   0.47704500  0.25012625  0.15159626
   0.02967640  0.37142356  0.25751307
   0.17490624  0.02424289  0.46010627
  -0.16528098  0.15380354  0.47793901
   0.10574814  0.04401895  0.48321024
   0.15249313  0.35633432  0.74463534
   0.21954264  0.31737116  0.55748302
   0.54886210  0.40863582  0.82052390
   0.34539332  0.38427109  0.58158134
   0.11525674  0.43046267  0.72678462
   0.17723277  0.02885081 -0.13354915
   0.06730024  0.09813824  0.87510627
   0.28905815  0.68347117  0.11044158
   0.25162091  0.79723869  0.27810035
   0.02271625  0.75406497  0.04484671
   0.53339637  0.94341501  0.24290847
   0.41036953  0.96117655  0.17745360
   0.30029533  0.97729677  0.07619699
   0.39113488  0.68010347  0.36363906
  -0.08088504  0.59252413  0.40323213
   0.22446767  0.36819341  0.59731897
   0.42714239  0.88118314  0.73393192
  -0.07590978  0.66775118  0.46001074
   0.53541982  1.33568950  0.81043239
   0.44618720  0.97100635  0.63550098
   0.14857527  0.92448916  0.62975050
   0.18577645  0.79545015 -0.02140265
   0.07746746  0.80125319  1.00677913
   0.52215431 -0.05791434 -0.09675177
   1.01274431  0.22727342  0.06838663
   1.09681967  0.58072052 -0.02841062
   0.57734868  0.36707058  0.45254534
  -0.03568535  0.37743612  0.16133290
   0.53431200  0.60344839  0.13503154
   0.70012508  0.22125918  0.36576812
   0.43810431  0.09830352  0.46581829
   0.64069900  0.03721832  0.56104374
   0.90516787  0.42738899  0.76139066
   0.58508185  0.31965758  0.50461324
   0.71455408  0.38724817  0.94937280
   1.12856411  0.61264342  0.53300384
   0.70182863  0.43270739  0.63473843
   0.75210325 -0.04095284  0.91949529
   0.27685286 -0.00528186  0.97824940
   0.53762865  0.58555641  0.02520680
   0.77878921  0.84171574  0.18207089
   0.10121839  0.42829502  0.31449437
   0.87309870  1.04205969  0.25680044
   0.91089766  0.91892756  0.05199360
   0.64939638  0.87884789  0.21452123
   1.08856995  0.85631351  0.24797959
   0.46180453  0.72561668  0.43501686
   0.70799521  0.57570146  0.55561467
   1.00030646  0.77025709  0.73294428
   0.56778009  1.63658949  2.07857359
   0.80226342  0.90351283  0.79610609
   0.93849081  0.85998024  0.68290290
   0.72271147  0.96298572  0.67469221
   0.79955650  0.90122950  0.97042101
   0.48300129  0.72227507  0.94431101
   8.94121179  5.61911733  0.46095041
   1.77631418 -0.34969785  2.04742570
   2.03114411  1.48445946  3.21575790
   3.21590139  3.25158222 -1.45083323
  -5.13805800 -1.25263601 -1.36530484
   2.96924495 -3.38075055  3.85505539
   0.11473763 -0.77800963 -1.07176563
  -0.50755806 -0.58600960 -1.08877611
  -0.29010668  0.07083389 -4.29454118
   6.75286000  6.75553657  0.22401777
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.786906   -2.577400   -3.269047
    -0.000000   25.735015    1.084890
    -0.000000    0.000000   29.815326
   Si   O    H 
    32    64    10
Direct configuration=  4000
   0.10631989  0.32019549  0.01340355
   0.30075928  0.07100821  0.46176205
   0.30299419  0.48889650  0.00429652
   0.84304214 -0.18087148  0.55243264
   0.11999137 -0.27364568  0.08280834
   0.28058817 -0.03382048  0.84985022
   0.26404672  0.39379637  0.70661885
   0.38678700  0.38815700  0.75709282
   0.19556319  0.72842867  0.05524281
   0.46599019  0.61327795  0.44214695
   0.11299438  0.95909303  0.06969061
   0.32283312  0.88375464  0.22733830
   0.24257187  0.59377303  0.51151880
   0.50770202  0.80066462  0.92709090
   0.14311925  0.88675595  0.68929612
   0.24376766  0.90464257  0.70941876
   0.51463807  0.00748716  0.92116951
   0.65748975  0.14977772  0.42086236
   0.79438010  0.50558802  0.11785261
   1.03968146  0.47292624  0.21451018
   0.58929581  0.15124107  0.45183370
   0.88172759  0.21233946  0.89136917
   0.55087056  0.41243954  0.56986619
   1.01185989  0.38185037  0.84693666
   0.43714319  0.70453001  0.01567064
   0.50425412  0.39896893  0.51167067
   0.55576982  0.86231067  0.11789188
   0.73606861  0.42360969 -0.43199822
   0.59708346  0.61768824  0.55482528
   0.94719095  0.71218924  0.93100829
   0.51331019  0.94135618  0.69225012
   0.82440979  0.90903105  0.88495969
  -0.01967415 -0.02091295  0.07662862
   0.48916034  0.18912633  0.37884153
   0.06805657  0.18652921  0.03083246
   0.28339913  0.60120626  0.36791166
   0.48282662  0.24907599  0.15318926
   0.02717552  0.37116051  0.25833030
   0.17151202  0.01851676  0.46069359
  -0.16291939  0.15829311  0.48167262
   0.10366962  0.04613487  0.48472183
   0.14624097  0.35630207  0.74519210
   0.23235967  0.31917978  0.55925601
   0.55220138  0.40089074  0.82125014
   0.34885457  0.38546081  0.57832465
   0.09540334  0.43275377  0.72852299
   0.17778012  0.02995120 -0.13394007
   0.07721899  0.10152446  0.87451596
   0.29675571  0.68366637  0.11154213
   0.25815463  0.79701585  0.27922924
   0.01381631  0.75209612  0.04138276
   0.53048561  0.94032748  0.24296028
   0.40914425  0.96346673  0.17852568
   0.28831904  0.97702552  0.07908927
   0.38832632  0.68011258  0.36543496
  -0.11471927  0.57868964  0.38316202
   0.21417881  0.36423688  0.59704492
   0.44732118  0.88041163  0.73568651
  -0.07019114  0.65990990  0.45737382
   0.53646620  1.34850178  0.81075005
   0.44368311  0.97009551  0.63623737
   0.15158407  0.93067268  0.62861609
   0.18589854  0.79581120 -0.02068386
   0.07516120  0.80774713  1.00925876
   0.52268489 -0.06105423 -0.09936861
   0.99809133  0.22709573  0.06673810
   1.10280783  0.58024589 -0.03153127
   0.57834279  0.36939597  0.45328770
  -0.03037421  0.37398576  0.16461154
   0.53169810  0.60391861  0.12974040
   0.70941451  0.22624122  0.36293195
   0.43202579  0.09355548  0.46768289
   0.63872536  0.03607714  0.56196372
   0.90547766  0.42737223  0.76638472
   0.58514513  0.31800212  0.50539966
   0.71053144  0.38047757  0.94998980
   1.12859298  0.61584749  0.53075944
   0.69995087  0.43178193  0.62839748
   0.73501004 -0.03711599  0.91229758
   0.28128835 -0.00750294  0.97679293
   0.53354577  0.58336891  0.02769304
   0.77908647  0.84091682  0.18061946
   0.09280315  0.42538563  0.31051058
   0.87332668  1.04580004  0.25529479
   0.91659563  0.91814306  0.05539781
   0.65336781  0.88138108  0.21322404
   1.08706368  0.86251419  0.24307263
   0.45781654  0.72316761  0.43329271
   0.71043294  0.57409509  0.55520848
   0.99408134  0.77030844  0.73277516
   0.57594048  1.63403561  2.08398932
   0.80133429  0.90074354  0.80015009
   0.93926293  0.85819250  0.68455829
   0.72448180  0.96165750  0.67832037
   0.80921213  0.89360268  0.97447893
   0.47677612  0.72389339  0.94382850
   9.01400981  5.68124773  0.47125996
   1.82589696 -0.37229013  2.02335300
   1.96474619  1.51467658  3.19249387
   3.19289619  3.24674730 -1.44728485
  -5.13829497 -1.29136317 -1.34193948
   3.05305635 -3.37771108  3.81962087
   0.10812492 -0.81451631 -1.08382118
  -0.67218385 -0.57832964 -1.17200842
  -0.36605758  0.01080300 -4.25427236
   6.26026749  7.03043672  0.68125496
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.814948   -2.530495   -3.288956
    -0.000000   25.778718    1.066134
    -0.000000    0.000000   30.053938
   Si   O    H 
    32    64    10
Direct configuration=  4001
   0.10643535  0.32111530  0.01542121
   0.29711363  0.07207451  0.46254650
   0.30777368  0.49155574  0.00451865
   0.83717352 -0.18298621  0.55115744
   0.12709063 -0.27415094  0.08211064
   0.27276979 -0.03466081  0.84997719
   0.28479610  0.39357318  0.71167876
   0.38151451  0.38894642  0.74954677
   0.18909608  0.72722485  0.05709255
   0.47018876  0.61417909  0.44621633
   0.10356914  0.95739998  0.06301343
   0.32542020  0.88442672  0.22495479
   0.24701555  0.59375729  0.50916025
   0.51071731  0.80182399  0.93001826
   0.14088001  0.88334486  0.69138462
   0.23892790  0.90794721  0.70539597
   0.51745541  0.00679345  0.92300545
   0.66375682  0.14776960  0.41496194
   0.79230131  0.50745390  0.11742536
   1.04370816  0.47500537  0.21767586
   0.56889257  0.15224747  0.45789079
   0.88297481  0.21160222  0.89164392
   0.54777514  0.41209687  0.56913551
   1.01008503  0.38195944  0.84828390
   0.43769331  0.70265179  0.01310694
   0.50454669  0.39622942  0.51105488
   0.56320223  0.86312648  0.12049618
   0.73832064  0.42507743 -0.43069049
   0.59714916  0.61791781  0.55389739
   0.94837483  0.71605141  0.93126959
   0.51460516  0.93925425  0.69260410
   0.82791008  0.91145496  0.88698016
  -0.01746228 -0.02463006  0.07622743
   0.50818508  0.18333476  0.38624808
   0.06874274  0.18683802  0.02311120
   0.28501815  0.60443635  0.36681183
   0.49001118  0.24859592  0.15530934
   0.02017836  0.37033807  0.25249327
   0.16870467  0.01240230  0.45952236
  -0.16759385  0.16212973  0.48254080
   0.10170314  0.05033286  0.48653469
   0.13639216  0.35806228  0.74593056
   0.24460908  0.32026195  0.56010429
   0.55411630  0.40434849  0.82319748
   0.34949315  0.38568092  0.57587810
   0.08379318  0.43154626  0.72956159
   0.17908117  0.03146720 -0.13322168
   0.08805466  0.10351382  0.87308157
   0.29421199  0.68680814  0.11036485
   0.26058204  0.79862477  0.27952751
   0.01061781  0.75244822  0.03646758
   0.51974059  0.93671906  0.24253927
   0.40886203  0.96499634  0.17927973
   0.28167807  0.97714812  0.08236974
   0.38903828  0.67938169  0.36964273
  -0.14409958  0.56984534  0.36759752
   0.20906681  0.36309326  0.59671480
   0.45657962  0.88241507  0.73474417
  -0.06208729  0.64993984  0.45302221
   0.53474516  1.35016864  0.80935046
   0.43963932  0.97026350  0.63662347
   0.15617811  0.93401440  0.62956094
   0.18881892  0.79574238 -0.02204692
   0.06747537  0.80976641  1.01471250
   0.52356590 -0.06303030 -0.10103841
   0.98395835  0.22822313  0.06438077
   1.10796518  0.57885021 -0.03393781
   0.57838814  0.37178691  0.45398544
  -0.02228467  0.37057461  0.17183003
   0.53084135  0.60194371  0.12583708
   0.71565038  0.22780590  0.36246034
   0.44179666  0.09507126  0.46802984
   0.63726881  0.03492475  0.56317235
   0.90611102  0.42722058  0.77038240
   0.58624557  0.31448041  0.50624784
   0.70617813  0.37435978  0.95065876
   1.13169315  0.61769256  0.53065302
   0.69028208  0.43008512  0.62011036
   0.72213811 -0.03483563  0.90720901
   0.28451419 -0.00848030  0.97504666
   0.52776477  0.58181947  0.02962026
   0.77855012  0.84022889  0.17770325
   0.08716264  0.42429619  0.30719183
   0.87387655  1.04945876  0.25431624
   0.92602966  0.91877014  0.05861968
   0.65342424  0.88302914  0.20979027
   1.08972921  0.86654561  0.23917675
   0.45304647  0.72259885  0.43140537
   0.71286059  0.57269384  0.55570654
   0.99190927  0.77355843  0.73381906
   0.58435263  1.63325451  2.08780649
   0.80148370  0.89839956  0.80374066
   0.94110172  0.85579273  0.68641000
   0.72513198  0.96074530  0.68191434
   0.81876608  0.88980368  0.97566320
   0.47117043  0.72502699  0.94335139
   9.01307397  5.73157474  0.44535123
   1.83408281 -0.39048926  2.00007042
   1.93247514  1.50913621  3.17129900
   3.16858824  3.23744376 -1.44921698
  -5.20636352 -1.35789228 -1.36012997
   3.11248259 -3.36826191  3.78574009
   0.03392389 -0.81847466 -1.07968718
  -0.77286841 -0.56561251 -1.21519548
  -0.42822454 -0.04345456 -4.20563918
   6.75630789  7.34355150  1.08565458
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.845751   -2.478407   -3.302594
    -0.000000   25.823630    1.053971
    -0.000000    0.000000   30.290988
   Si   O    H 
    32    64    10
Direct configuration=  4002
   0.10452665  0.32087815  0.01791154
   0.28888515  0.07099935  0.46414037
   0.31380158  0.49441934  0.00509906
   0.83199092 -0.18496400  0.55091668
   0.12229450 -0.27422306  0.08536928
   0.26535157 -0.03591182  0.85005761
   0.29730662  0.39330044  0.71568756
   0.38181018  0.38918773  0.74430045
   0.19363685  0.72611726  0.05437627
   0.47156732  0.61423681  0.44881636
   0.09377792  0.95668100  0.05759200
   0.32711528  0.88465680  0.22329267
   0.25403268  0.59334537  0.50655780
   0.51330460  0.80376877  0.93285233
   0.12295495  0.87523014  0.68982441
   0.25183741  0.91574703  0.70236242
   0.51869920  0.00527533  0.92408453
   0.65851048  0.14936519  0.41560558
   0.79172222  0.50922063  0.11777488
   1.04674877  0.47708787  0.22040757
   0.56825162  0.15283133  0.45778954
   0.88407746  0.21080089  0.89195247
   0.53869007  0.41006408  0.56162411
   1.00913201  0.38222536  0.84999282
   0.43999975  0.69911753  0.01178577
   0.50832986  0.39542551  0.51623928
   0.57109128  0.86355818  0.12299611
   0.74190015  0.42681134 -0.42979458
   0.59623554  0.61792280  0.55275635
   0.95020491  0.71959155  0.93059818
   0.51682374  0.93719204  0.69336871
   0.83084643  0.91356449  0.88995426
  -0.00604413 -0.02050440  0.07806297
   0.52616438  0.17767990  0.39173846
   0.06800948  0.18823059  0.01757724
   0.28279865  0.60406726  0.36555650
   0.49761278  0.24838289  0.15746473
   0.01165600  0.36815210  0.24544892
   0.16406405  0.00924850  0.45880203
  -0.17577255  0.16532432  0.48173363
   0.10391575  0.05392861  0.48662463
   0.12782865  0.36383273  0.74664480
   0.25503179  0.32084204  0.56090188
   0.55554930  0.41403342  0.82520134
   0.34326093  0.38482688  0.57490167
   0.07590190  0.42693510  0.73155144
   0.18160462  0.03318696 -0.13104064
   0.09872198  0.10560317  0.87199454
   0.28379580  0.69156783  0.10734960
   0.25935529  0.80187370  0.27866975
   0.01785248  0.75517195  0.03337408
   0.51035613  0.93296475  0.24304319
   0.40870268  0.96685787  0.17862267
   0.27861415  0.97775724  0.08417759
   0.39350974  0.67941210  0.37237774
  -0.16946270  0.56286447  0.35468547
   0.21201972  0.36323733  0.59548887
   0.45364677  0.88355275  0.73099696
  -0.04946209  0.63996003  0.44958347
   0.53046981  1.34519795  0.80642818
   0.43719949  0.97121201  0.63584069
   0.16508060  0.93490204  0.63598727
   0.18575569  0.79596854 -0.02264164
   0.06286308  0.80467737  1.02036058
   0.52349529 -0.06313156 -0.10149878
   0.97530620  0.22932718  0.06065797
   1.11045705  0.57749188 -0.03685443
   0.57739048  0.37417525  0.45428001
  -0.01272756  0.36686819  0.17895044
   0.52715678  0.59558756  0.12543481
   0.72025828  0.22691134  0.36384069
   0.44770291  0.09634101  0.46862773
   0.63623869  0.03366025  0.56480946
   0.90793386  0.42649468  0.77286651
   0.58856405  0.31133536  0.50776207
   0.70411232  0.36865385  0.95246372
   1.12802970  0.62034489  0.52957055
   0.68160855  0.42883048  0.61422063
   0.71768174 -0.03498540  0.90365047
   0.28578461 -0.00854813  0.97399865
   0.52091668  0.58188763  0.03146543
   0.77765198  0.84004302  0.17429010
   0.08455893  0.42532751  0.30582441
   0.87600916  1.05289528  0.25368534
   0.92156904  0.91037145  0.05767129
   0.65183283  0.88421394  0.20680926
   1.09485957  0.86891476  0.23620881
   0.44999376  0.72526248  0.43197086
   0.71325832  0.56982878  0.55439119
   0.98934190  0.78006906  0.73301010
   0.59476144  1.63591526  2.08707894
   0.80314273  0.89618338  0.80699367
   0.94330920  0.85196190  0.68895353
   0.72365354  0.96011917  0.68460731
   0.82695969  0.88900092  0.97554887
   0.46673448  0.72535921  0.94240294
   8.99211821  5.77351832  0.41448378
   1.84467487 -0.41451979  1.98304160
   1.85102658  1.51320436  3.13124971
   3.14945757  3.23355825 -1.45340138
  -5.19275334 -1.38705561 -1.32842068
   3.17895597 -3.36815987  3.75382350
  -0.06646147 -0.81459232 -1.09086742
  -0.85642116 -0.53910687 -1.24940429
  -0.45244931 -0.06807469 -4.14213263
   7.18855664  7.64189219  1.42481331
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.879121   -2.422654   -3.310218
    -0.000000   25.869767    1.046198
    -0.000000    0.000000   30.526436
   Si   O    H 
    32    64    10
Direct configuration=  4003
   0.10174553  0.31935995  0.02058323
   0.27909950  0.06838816  0.46619948
   0.32054613  0.49714924  0.00610822
   0.82767126 -0.18707772  0.55104380
   0.11700091 -0.27450385  0.08844247
   0.25737240 -0.03766252  0.85026948
   0.30113862  0.39293849  0.71774959
   0.38739675  0.38971866  0.74167640
   0.19879938  0.72406724  0.05171850
   0.47122297  0.61446267  0.44975798
   0.08438502  0.95630453  0.05384963
   0.32501419  0.88443144  0.22153007
   0.26109154  0.59233233  0.50509551
   0.51509552  0.80536330  0.93581260
   0.12082838  0.87036929  0.69009222
   0.25917600  0.91850195  0.69925345
   0.52049200  0.00309704  0.92509139
   0.64760811  0.15160845  0.42185123
   0.79153736  0.51020854  0.11803980
   1.04812870  0.47913138  0.22151649
   0.58743923  0.15362471  0.45495248
   0.88051507  0.21211060  0.89141366
   0.53437020  0.41029595  0.56180019
   1.00879599  0.38228262  0.85231025
   0.44323272  0.69489518  0.01135447
   0.50563925  0.39269770  0.51382652
   0.57696920  0.86331027  0.12357173
   0.74573616  0.42852409 -0.42856848
   0.59836441  0.61773161  0.55260060
   0.95185099  0.72257219  0.92927595
   0.51975513  0.93535496  0.69426527
   0.83304458  0.91573786  0.89361422
  -0.00131388 -0.02409252  0.07707298
   0.53024331  0.17631481  0.38936477
   0.06758639  0.19080849  0.01543853
   0.28470514  0.60409524  0.36447297
   0.50388263  0.24806036  0.15945197
   0.00105673  0.36276451  0.24088820
   0.15726808  0.01081565  0.45916209
  -0.18461360  0.16853203  0.48062816
   0.11071353  0.05567736  0.48460007
   0.12052448  0.36960033  0.74639449
   0.26280119  0.32024416  0.56134067
   0.55472407  0.42432176  0.82565509
   0.33330055  0.38445211  0.57506060
   0.06738264  0.42083245  0.73504856
   0.18469073  0.03495171 -0.12761908
   0.10788852  0.10835150  0.87033844
   0.27475486  0.69603495  0.10526867
   0.25720598  0.80673044  0.27660751
   0.01549235  0.75098011  0.03461307
   0.50832839  0.92871815  0.24455880
   0.40711026  0.96823431  0.17707371
   0.27799410  0.97911515  0.08421022
   0.39735657  0.67754105  0.37377413
  -0.19936272  0.55401197  0.34030569
   0.21924894  0.36488097  0.59333568
   0.44102104  0.88584638  0.72694653
  -0.03187748  0.63338491  0.44982400
   0.52863376  1.33885155  0.80478793
   0.43628373  0.97223629  0.63507453
   0.17317228  0.93669261  0.64065623
   0.17851518  0.79770532 -0.02224421
   0.07240918  0.80737048  1.02062502
   0.52427004 -0.06090592 -0.10246084
   0.97142587  0.23087058  0.05564709
   1.10814108  0.57585898 -0.04054174
   0.57645750  0.37570454  0.45457456
  -0.00380262  0.36577568  0.18254337
   0.52485799  0.58927465  0.12253613
   0.72392975  0.22479721  0.36632017
   0.44275667  0.09427984  0.46933924
   0.63444648  0.03226088  0.56724886
   0.91213218  0.42529968  0.77294724
   0.59221053  0.30890110  0.50902391
   0.70175975  0.36309152  0.95362994
   1.12375800  0.62326791  0.52792123
   0.67394788  0.42746830  0.60838599
   0.71650098 -0.03764241  0.90075212
   0.28522457 -0.00865654  0.97409701
   0.51682041  0.58560838  0.03643026
   0.77749672  0.84101162  0.17176748
   0.08629074  0.42735174  0.30677041
   0.88114441  1.05730441  0.25355735
   0.91951244  0.90854035  0.05737641
   0.65048169  0.88542561  0.20651600
   1.10137622  0.87000715  0.23385316
   0.44891286  0.72891572  0.43355456
   0.71142803  0.56856383  0.55374929
   0.98866410  0.79066777  0.73053114
   0.59717388  1.63671729  2.08419796
   0.80485325  0.89405667  0.80937924
   0.93510810  0.84584463  0.69142548
   0.72192889  0.96007274  0.68646977
   0.83514821  0.89073386  0.97521100
   0.46364642  0.72538610  0.94139270
   8.92694128  5.81362934  0.39982739
   1.88317622 -0.44630046  1.97276948
   1.78224936  1.52487942  3.09917800
   3.12337446  3.22705794 -1.46009506
  -5.20965031 -1.41801696 -1.32755350
   3.21911534 -3.35076062  3.71666412
  -0.06635751 -0.85300570 -1.08741086
  -0.90964736 -0.49548377 -1.28343954
  -0.46111538 -0.10163199 -4.07754287
   7.54908198  7.91100202  1.72906739
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.914823   -2.365317   -3.312650
    -0.000000   25.916984    1.042090
    -0.000000    0.000000   30.759425
   Si   O    H 
    32    64    10
Direct configuration=  4004
   0.09969321  0.31765449  0.02263346
   0.27045319  0.06553015  0.46870070
   0.32702568  0.49952835  0.00732628
   0.82456508 -0.18935118  0.55114571
   0.11779357 -0.27414559  0.08717922
   0.24963926 -0.03963856  0.85047021
   0.29641021  0.39281397  0.71755589
   0.40079714  0.39040022  0.74236591
   0.19244154  0.72271873  0.05150574
   0.46624914  0.61602694  0.44879987
   0.07934805  0.95583824  0.05102301
   0.31979764  0.88460667  0.21927528
   0.26935339  0.59103013  0.50347940
   0.51708375  0.80735526  0.93900109
   0.13840955  0.87255969  0.69120644
   0.25148493  0.91508978  0.69680475
   0.52328056  0.00037390  0.92537722
   0.64520763  0.15075622  0.42600596
   0.79226186  0.51040317  0.11845118
   1.04959191  0.48083423  0.22232532
   0.60187876  0.15468862  0.45626352
   0.87753960  0.21122669  0.89130938
   0.52989720  0.41049302  0.56445195
   1.00784908  0.38211878  0.85495447
   0.44671520  0.69043537  0.01202391
   0.50135234  0.38869403  0.50756316
   0.58023015  0.86249122  0.12225940
   0.74796220  0.43010506 -0.42689372
   0.60284818  0.61724115  0.55337981
   0.95299348  0.72457735  0.92728875
   0.52319686  0.93383136  0.69485625
   0.83479388  0.91800935  0.89769402
  -0.00521004 -0.03164637  0.07504045
   0.51844720  0.17896574  0.38118772
   0.06611371  0.19412350  0.01455762
   0.28881567  0.60286944  0.36515065
   0.50875855  0.24767304  0.16110912
  -0.00785670  0.35792424  0.24028030
   0.15151923  0.01518847  0.46041941
  -0.18477647  0.17288502  0.48184718
   0.11920113  0.05660925  0.48086524
   0.11657004  0.37585929  0.74574109
   0.26887665  0.31814620  0.56119897
   0.55231318  0.43286465  0.82457855
   0.32925633  0.38702239  0.57525008
   0.05729869  0.41356311  0.73915281
   0.18923777  0.03586620 -0.12338840
   0.11276252  0.11273492  0.86929794
   0.27750640  0.69724782  0.10700769
   0.25376191  0.81238223  0.27410919
   0.01284542  0.75015648  0.03591430
   0.50962619  0.92499544  0.24601216
   0.40714207  0.96781058  0.17641898
   0.27668528  0.98099995  0.08247329
   0.40531885  0.67660543  0.37402719
  -0.22890328  0.54622012  0.32683758
   0.22125144  0.36627251  0.59171626
   0.42739178  0.88497259  0.72412518
  -0.01222575  0.62668955  0.45116831
   0.52985215  1.33274594  0.80464855
   0.43541097  0.97410925  0.63373025
   0.17644117  0.93905190  0.64152768
   0.17169293  0.80014027 -0.02223286
   0.08540787  0.80408934  1.02149165
   0.52791449 -0.05696901 -0.10080654
   0.96887821  0.23149052  0.05103927
   1.10817507  0.57553342 -0.04475346
   0.57614552  0.37636817  0.45577157
   0.00495455  0.36734145  0.18385741
   0.52275799  0.58502840  0.11663514
   0.72646114  0.22245549  0.36944140
   0.43655172  0.09191297  0.46924437
   0.63295223  0.03077436  0.56979742
   0.91832612  0.42338932  0.77258208
   0.59631715  0.30891582  0.51021996
   0.69769033  0.35789440  0.95368558
   1.11766284  0.62669521  0.52674261
   0.67268336  0.42699634  0.60336669
   0.71524721 -0.04333116  0.89849585
   0.28272973 -0.00798365  0.97506672
   0.51475435  0.59082793  0.04326457
   0.77969692  0.84323824  0.17066124
   0.08721478  0.42700019  0.30581352
   0.88854477  1.06284259  0.25380129
   0.91587760  0.91030949  0.05657847
   0.65034753  0.88658439  0.20780584
   1.10805030  0.86999803  0.23180485
   0.44896540  0.73121203  0.43653880
   0.70655024  0.56801719  0.55344003
   0.98838897  0.79754974  0.73007755
   0.59236556  1.63655837  2.08080179
   0.80602364  0.89100686  0.81068281
   0.91653999  0.84158376  0.69138538
   0.71396732  0.96059620  0.68733387
   0.84518714  0.89519858  0.97633798
   0.46038801  0.72338754  0.94076629
   8.82546430  5.85939348  0.40407419
   1.88976589 -0.45838226  1.96307493
   1.75091191  1.52039363  3.07521651
   3.08280415  3.21522668 -1.46994649
  -5.23842814 -1.43574049 -1.35410850
   3.26925094 -3.30623519  3.68772345
  -0.04770704 -0.81575135 -1.10449350
  -0.98392468 -0.48401715 -1.31220604
  -0.48787180 -0.12595052 -4.05168781
   8.02086656  8.18280740  2.02197165
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.953562   -2.306209   -3.312347
    -0.000000   25.964507    1.041820
    -0.000000    0.000000   30.988779
   Si   O    H 
    32    64    10
Direct configuration=  4005
   0.09909076  0.31793945  0.02434133
   0.27203870  0.06469265  0.47104259
   0.33229892  0.50107218  0.00854418
   0.82227538 -0.19122221  0.55120668
   0.12262221 -0.27398347  0.08315397
   0.24399682 -0.04192260  0.85141944
   0.28229412  0.39320450  0.71637162
   0.42099476  0.39062239  0.74621780
   0.17915642  0.72107714  0.05354792
   0.45905056  0.61843493  0.44697246
   0.08148262  0.95520534  0.04856920
   0.31371330  0.88628134  0.21631560
   0.27784565  0.58941086  0.50213192
   0.51946346  0.81069257  0.94245696
   0.15305623  0.87519879  0.69145613
   0.24679563  0.90886065  0.69858465
   0.52628738 -0.00265565  0.92525031
   0.65148062  0.14844092  0.42256899
   0.79378220  0.50998217  0.11927706
   1.05043313  0.48129861  0.22304394
   0.60182001  0.15702267  0.46180616
   0.87052588  0.21188376  0.89102389
   0.52304426  0.40720867  0.55939571
   1.00682700  0.38185065  0.85741090
   0.44973683  0.68690644  0.01235551
   0.50125056  0.38891822  0.50890002
   0.58173770  0.86158534  0.12016935
   0.74651905  0.43187212 -0.42417602
   0.60830778  0.61629279  0.55449911
   0.95366138  0.72551572  0.92468175
   0.52547540  0.93241017  0.69534574
   0.83537245  0.91998032  0.90105288
  -0.01175372 -0.03482524  0.07526647
   0.51132769  0.17879003  0.37949961
   0.06474531  0.19519230  0.01322846
   0.29496495  0.60081679  0.36666172
   0.51288279  0.24695357  0.16241635
  -0.01157759  0.35732572  0.24170907
   0.14747346  0.00742304  0.45627300
  -0.18389372  0.17752853  0.48328628
   0.11199885  0.06734217  0.48294529
   0.13442046  0.37288504  0.74560599
   0.27292720  0.31696865  0.56166207
   0.54621173  0.43241221  0.82042506
   0.33256003  0.39176987  0.57470244
   0.03876866  0.41528283  0.74112108
   0.19319378  0.03690262 -0.11889078
   0.11525158  0.11786917  0.86844264
   0.28857289  0.69642328  0.11036525
   0.24918248  0.81775922  0.27226951
   0.01176380  0.75153298  0.03652708
   0.50631894  0.92154680  0.24509787
   0.41009491  0.96499865  0.17729873
   0.27368343  0.98302234  0.07950010
   0.41581869  0.67778471  0.37546956
  -0.25620109  0.53956301  0.31493905
   0.21433392  0.36477592  0.59037665
   0.41502233  0.88431364  0.72154785
   0.00647944  0.61995570  0.45171874
   0.53078305  1.33541352  0.80501285
   0.43345347  0.97501462  0.63291305
   0.17203770  0.94287441  0.63691196
   0.16955915  0.80116381 -0.02485564
   0.09298617  0.80071558  1.02544689
   0.53241713 -0.05063861 -0.09956445
   0.96702478  0.23038125  0.04707869
   1.11044395  0.57664695 -0.04876096
   0.57619120  0.37616014  0.45590305
   0.01269692  0.37054965  0.18517227
   0.51903016  0.58152711  0.10643058
   0.73095415  0.22087999  0.37223813
   0.43445407  0.09134181  0.46844439
   0.63100743  0.02965353  0.57183469
   0.91883244  0.42210416  0.77299286
   0.60240718  0.31051748  0.51263419
   0.69208004  0.35288567  0.95331388
   1.11176663  0.63071200  0.52665833
   0.67717847  0.42748654  0.59677858
   0.71253897 -0.05121625  0.89774803
   0.27711114 -0.00723016  0.97644406
   0.51305471  0.59294201  0.05348416
   0.78498894  0.84645881  0.17084069
   0.08540138  0.42374345  0.30200089
   0.89776826  1.06923295  0.25446356
   0.90243374  0.90776710  0.05339514
   0.65097209  0.88685174  0.20885408
   1.11447077  0.86900889  0.22980822
   0.44864607  0.73017736  0.43784368
   0.69846445  0.56643476  0.55108035
   0.99431000  0.80233644  0.73128033
   0.58996965  1.63925136  2.07828205
   0.80662733  0.88783741  0.81141166
   0.89970477  0.84013261  0.68837699
   0.70849586  0.96270511  0.68781189
   0.85691077  0.90161376  0.97874706
   0.45650698  0.72088694  0.94149524
   8.73136602  5.88672127  0.43717053
   1.87349776 -0.46004646  1.95861737
   1.70841009  1.51969777  3.04717892
   3.01070073  3.19572647 -1.48322765
  -5.25793814 -1.44885765 -1.35218359
   3.29679106 -3.25518416  3.66235927
   0.11576926 -0.81671052 -1.10759505
  -1.06152880 -0.47303058 -1.34444880
  -0.48588030 -0.21909275 -4.03810329
   8.40926373  8.43404779  2.29103898
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    12.993129   -2.245561   -3.309850
    -0.000000   26.012218    1.043309
    -0.000000    0.000000   31.215425
   Si   O    H 
    32    64    10
Direct configuration=  4006
   0.10072842  0.31897957  0.02500296
   0.27478226  0.06390531  0.47278889
   0.33707733  0.50215859  0.00956883
   0.82079744 -0.19398026  0.55307909
   0.12001135 -0.27426138  0.08321465
   0.23948138 -0.04330973  0.85337416
   0.27592814  0.39332558  0.71808085
   0.42720912  0.39099285  0.74646515
   0.17402460  0.71805850  0.05238028
   0.45307890  0.62027538  0.44628567
   0.08344123  0.95375986  0.04676609
   0.30904446  0.88934944  0.21308601
   0.28330477  0.58802588  0.50088808
   0.52317091  0.81905569  0.94361327
   0.14943831  0.87485089  0.68778765
   0.25538392  0.90685855  0.70268405
   0.52819833 -0.00579813  0.92476803
   0.65721366  0.14776905  0.41871986
   0.79479314  0.50943337  0.11959959
   1.05215161  0.48099185  0.22394188
   0.59613558  0.15735606  0.46474513
   0.86501984  0.21254032  0.89041637
   0.52429416  0.40424340  0.55550610
   1.00619621  0.38156353  0.86007370
   0.45321580  0.68550211  0.01149772
   0.50224883  0.39021960  0.51058610
   0.58245208  0.86072765  0.11834815
   0.75334867  0.43374531 -0.42541239
   0.61303595  0.61559341  0.55537496
   0.95470218  0.72568813  0.92191021
   0.52426567  0.93047119  0.69582713
   0.83703945  0.92056529  0.90332808
  -0.02042220 -0.03766837  0.07561896
   0.50881395  0.17641520  0.38297153
   0.06671998  0.19779843  0.01241972
   0.30217157  0.59926202  0.36665806
   0.51633199  0.24625782  0.16352087
  -0.00991849  0.36169859  0.24388060
   0.13981771  0.00871788  0.45574505
  -0.18813591  0.18168479  0.48329228
   0.10757080  0.06983650  0.48125921
   0.14871474  0.37263765  0.74464245
   0.27525552  0.32048958  0.56416949
   0.54288430  0.42817523  0.81692962
   0.33375114  0.39343328  0.57394369
   0.02788655  0.41547928  0.74247839
   0.19683026  0.03696566 -0.11508641
   0.11848736  0.12407211  0.86807165
   0.29901431  0.69580084  0.11281239
   0.24524807  0.82090268  0.27247506
   0.01396595  0.75243753  0.03765172
   0.49953747  0.91817818  0.24224152
   0.41431247  0.96152862  0.17793327
   0.27090520  0.98489579  0.07641302
   0.42426134  0.67994987  0.37691944
  -0.28318999  0.53324289  0.30283053
   0.20848890  0.36113876  0.58813349
   0.40784789  0.88363153  0.71984747
   0.02907781  0.61417674  0.45424728
   0.53621565  1.34079670  0.80679052
   0.43172774  0.97514586  0.63339747
   0.16413256  0.94256486  0.63509392
   0.16707262  0.79900371 -0.02745988
   0.09802675  0.80281552  1.02874784
   0.53418200 -0.04624183 -0.09854771
   0.95982247  0.22640031  0.04468717
   1.11080091  0.57809174 -0.05229735
   0.57691514  0.37482423  0.45513704
   0.02032414  0.37365613  0.18618615
   0.51962264  0.57962276  0.10235129
   0.73603934  0.21865327  0.37550830
   0.43832864  0.09418583  0.46727481
   0.62949453  0.02863374  0.57312222
   0.91658806  0.42074087  0.77270775
   0.60848500  0.31429562  0.51505418
   0.68568253  0.34847548  0.95277873
   1.10641441  0.63357224  0.52601952
   0.65133515  0.42515635  0.59432112
   0.70952845 -0.05784007  0.89759452
   0.27186896 -0.00649386  0.97749190
   0.50024393  0.58918704  0.05346318
   0.79078829  0.85041330  0.17224015
   0.07785529  0.41780017  0.29755009
   0.90806005  1.07627057  0.25541016
   0.89175365  0.90597241  0.05129363
   0.65122229  0.88525846  0.20821791
   1.11585004  0.86818259  0.22721363
   0.44845671  0.72789906  0.43724807
   0.69184888  0.56438098  0.54783805
   1.00368159  0.80774537  0.73236087
   0.59628923  1.64642716  2.08050174
   0.80658254  0.88544695  0.81259811
   0.88910986  0.83979117  0.68453192
   0.70590293  0.96606025  0.68769543
   0.86959710  0.90950073  0.98112328
   0.44578611  0.70954624  0.94090127
   8.62342361  5.93919280  0.43727828
   1.91659705 -0.43928045  1.95362189
   1.64507502  1.51697900  3.04074092
   2.96985726  3.17661816 -1.49112394
  -5.32120024 -1.44699421 -1.33170422
   3.32227559 -3.20138832  3.64701698
   0.19525165 -0.83009200 -1.11137635
  -1.07402565 -0.45822416 -1.37429328
  -0.45345066 -0.34268192 -3.92462762
   8.75731511  8.66282272  2.52855412
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.030559   -2.183863   -3.304597
    -0.000000   26.054697    1.046866
    -0.000000    0.000000   31.435036
   Si   O    H 
    32    64    10
Direct configuration=  4007
   0.10204666  0.31963118  0.02560014
   0.27696213  0.06300627  0.47429053
   0.34169780  0.50315117  0.01031929
   0.81930760 -0.19632594  0.55480082
   0.11354329 -0.27419847  0.08479970
   0.23542189 -0.04445547  0.85516533
   0.26937222  0.39330571  0.71954145
   0.43380036  0.39120526  0.74678644
   0.17271048  0.71483752  0.04948010
   0.44746686  0.62202304  0.44556819
   0.08507703  0.95249740  0.04496138
   0.30441031  0.89200120  0.21011434
   0.28815140  0.58694327  0.49976120
   0.52620631  0.82653047  0.94459744
   0.14196623  0.87341311  0.68388482
   0.26726070  0.90633774  0.70701431
   0.52980752 -0.00680789  0.92537178
   0.66332375  0.14692886  0.41489509
   0.79559721  0.50899039  0.12001551
   1.05353672  0.48055441  0.22492204
   0.59039826  0.15787459  0.46767067
   0.86016268  0.21290993  0.88961242
   0.52637368  0.40254565  0.55426338
   1.00573815  0.38132039  0.86241419
   0.45643273  0.68428297  0.01049809
   0.50197156  0.39065932  0.50964978
   0.58310328  0.85984674  0.11691523
   0.75992564  0.43535193 -0.42669909
   0.61758320  0.61498545  0.55600278
   0.95573651  0.72602322  0.91940986
   0.52295308  0.92860229  0.69625044
   0.83844532  0.92099931  0.90541916
  -0.02845295 -0.04007059  0.07586969
   0.50708770  0.17435020  0.38620253
   0.06797518  0.20029283  0.01171307
   0.30939825  0.59796391  0.36686052
   0.51905717  0.24523617  0.16459106
  -0.00880967  0.36570064  0.24522262
   0.13325603  0.01076440  0.45584949
  -0.19239048  0.18541458  0.48317423
   0.10447961  0.07133844  0.47936587
   0.16200728  0.37223308  0.74384177
   0.27641055  0.32480676  0.56671820
   0.54007152  0.42385356  0.81387666
   0.33475020  0.39458653  0.57297875
   0.01823359  0.41553026  0.74382243
   0.20001574  0.03662591 -0.11160118
   0.12250670  0.12991825  0.86783816
   0.30841211  0.69513043  0.11501203
   0.24151509  0.82376275  0.27285738
   0.01719912  0.75338733  0.03879822
   0.49359857  0.91530845  0.23954989
   0.41755861  0.95812016  0.17847517
   0.26823350  0.98648958  0.07331636
   0.43154697  0.68217605  0.37846092
  -0.30733845  0.52771434  0.29199140
   0.20496103  0.35767388  0.58613933
   0.40123629  0.88323343  0.71822466
   0.05015246  0.60943188  0.45649394
   0.54104174  1.34594670  0.80821385
   0.43029965  0.97513979  0.63390564
   0.15744410  0.94264235  0.63366925
   0.16528838  0.79722941 -0.02968447
   0.10135551  0.80512911  1.03122837
   0.53573865 -0.04504645 -0.09919761
   0.95397247  0.22278544  0.04248742
   1.11152214  0.57925061 -0.05545645
   0.57675867  0.37375071  0.45435474
   0.02627535  0.37640525  0.18754412
   0.51835286  0.57796153  0.09758925
   0.74114821  0.21648527  0.37870335
   0.44236778  0.09658560  0.46611441
   0.62803511  0.02739871  0.57434648
   0.91583285  0.41955989  0.77258439
   0.61346674  0.31764608  0.51724297
   0.67981708  0.34445306  0.95242404
   1.10183889  0.63620962  0.52529792
   0.62752283  0.42342214  0.59276159
   0.70782653 -0.06378634  0.89764742
   0.26742695 -0.00566429  0.97855659
   0.49037687  0.58534518  0.05430898
   0.79550349  0.85394445  0.17356343
   0.07061906  0.41219992  0.29333539
   0.91688989  1.08259915  0.25646868
   0.88318183  0.90392864  0.04948207
   0.65112243  0.88398246  0.20739326
   1.11718570  0.86704181  0.22501694
   0.44840383  0.72561618  0.43654466
   0.68489484  0.56271951  0.54504318
   1.01209835  0.81249840  0.73333192
   0.61010415  1.65037402  2.08305721
   0.80655814  0.88343411  0.81371953
   0.87945703  0.83935387  0.68110269
   0.70290769  0.96905096  0.68746366
   0.88045113  0.91656325  0.98315309
   0.43677212  0.69935665  0.94062728
   8.52516794  5.98529829  0.43747020
   1.95530751 -0.41947890  1.94960052
   1.58892426  1.51487350  3.03582324
   2.93160959  3.15838707 -1.49822560
  -5.37924459 -1.44538624 -1.31391682
   3.34553348 -3.15267614  3.63381478
   0.25628601 -0.84464563 -1.11596515
  -1.08561633 -0.44530785 -1.40158358
  -0.56362737 -0.41153951 -3.83371332
   9.06530454  8.86688494  2.74112376
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.066584   -2.121757   -3.297133
    -0.000000   26.097676    1.051720
    -0.000000    0.000000   31.651665
   Si   O    H 
    32    64    10
Direct configuration=  4008
   0.10127192  0.31869232  0.02579665
   0.27889235  0.06280533  0.47465216
   0.34193571  0.50287671  0.01025560
   0.81698312 -0.19883434  0.55597512
   0.11233392 -0.27597292  0.08668157
   0.23451051 -0.04650053  0.85782333
   0.27762180  0.39321895  0.72313967
   0.42073050  0.39194848  0.74238089
   0.17092024  0.71351195  0.04977874
   0.44407380  0.62148077  0.44698470
   0.07504180  0.95031920  0.04423912
   0.29939808  0.89342836  0.20813430
   0.28637233  0.58686102  0.49873810
   0.52851424  0.83314261  0.94580860
   0.13906254  0.87473885  0.68123169
   0.26555073  0.90498674  0.70962135
   0.53073064 -0.00566800  0.92733456
   0.66048624  0.14689779  0.41678182
   0.79398690  0.50878524  0.11957754
   1.05495346  0.48096376  0.22512613
   0.58773186  0.15647027  0.46406715
   0.85509556  0.21337728  0.88838106
   0.52171471  0.40122843  0.55639209
   1.00497448  0.38072515  0.86491645
   0.45707181  0.68422500  0.00731425
   0.49858884  0.39049878  0.50327849
   0.58549700  0.85942759  0.11672587
   0.76353386  0.43604502 -0.42856439
   0.62021635  0.61439915  0.55615477
   0.95777054  0.72690984  0.91715479
   0.52125817  0.92729088  0.69628041
   0.84189113  0.92068347  0.90654730
  -0.03170834 -0.04447331  0.07457323
   0.50774428  0.17221145  0.39096418
   0.07271044  0.20446703  0.01148232
   0.31884907  0.59982599  0.36583967
   0.52212987  0.24389941  0.16558656
  -0.01358535  0.36803635  0.24707361
   0.12701011  0.01893570  0.45871255
  -0.19049445  0.18879931  0.48353491
   0.10492466  0.06768858  0.47588308
   0.16948868  0.37271727  0.74289846
   0.28330092  0.32618952  0.56720647
   0.54320280  0.41983162  0.81400819
   0.32684443  0.39370764  0.57328332
   0.00726438  0.41499253  0.74611632
   0.19976156  0.04118538 -0.10873657
   0.12829343  0.13272023  0.86781309
   0.31007051  0.69437020  0.11339175
   0.24288440  0.82516865  0.27456911
   0.02415185  0.75421405  0.03902483
   0.49366951  0.91122658  0.23776253
   0.42130165  0.95885766  0.17433645
   0.27030767  0.98827843  0.07254573
   0.43271336  0.68098510  0.37666390
  -0.32869313  0.52255523  0.28250403
   0.20250293  0.35925354  0.58508877
   0.40560152  0.88069886  0.71928801
   0.07835521  0.60478344  0.46110583
   0.55065086  1.34995772  0.81161078
   0.43026424  0.97402337  0.63550567
   0.15154055  0.94019588  0.63417089
   0.15955431  0.79420633 -0.02852009
   0.10649724  0.80624541  1.02896668
   0.53875087 -0.04845840 -0.10375380
   0.94861567  0.22072049  0.04055291
   1.11325639  0.58060085 -0.05777646
   0.57934765  0.37186336  0.45361022
   0.03279338  0.37886675  0.18371512
   0.52979139  0.57572151  0.10705690
   0.74608474  0.21549897  0.38099425
   0.44517153  0.09766618  0.46574650
   0.62711423  0.02707218  0.57498930
   0.92090558  0.41805592  0.77093589
   0.61929945  0.32055189  0.51886295
   0.67454992  0.34154624  0.95237830
   1.10061062  0.63696207  0.52368577
   0.62173593  0.42437395  0.59602601
   0.70011394 -0.06774853  0.89816617
   0.26448673 -0.00535338  0.97880158
   0.47942866  0.58641809  0.04264375
   0.79784095  0.85774703  0.17557195
   0.07044406  0.40830303  0.29505426
   0.92618582  1.08906584  0.25751452
   0.88752111  0.90561311  0.05074163
   0.64997368  0.88164461  0.20483404
   1.10748986  0.86641304  0.22170073
   0.45028942  0.72694631  0.43723354
   0.67708206  0.56031409  0.54250484
   1.01826159  0.81753298  0.73255532
   0.61805079  1.64970715  2.08564164
   0.80560846  0.88247662  0.81530281
   0.87424046  0.83858863  0.67907774
   0.70148144  0.97224157  0.68722133
   0.89065188  0.92396011  0.98244076
   0.42953079  0.68994221  0.94353314
   8.42412113  6.02601213  0.43535277
   1.95901493 -0.41936772  1.94052573
   1.61939849  1.52484343  3.06525906
   2.90591247  3.14239120 -1.49979096
  -5.44271015 -1.43341120 -1.30568124
   3.39965721 -3.10967680  3.59296856
   0.30813439 -0.83716154 -1.11310891
  -1.02927643 -0.40932767 -1.42007718
  -0.68659757 -0.46534861 -3.76608415
   9.32436590  9.05298773  2.93659882
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.101807   -2.058588   -3.288644
    -0.000000   26.141178    1.058148
    -0.000000    0.000000   31.864819
   Si   O    H 
    32    64    10
Direct configuration=  4009
   0.09888443  0.31703380  0.02594035
   0.27999422  0.06347705  0.47448857
   0.33839786  0.50141500  0.00950469
   0.81404489 -0.20176707  0.55680653
   0.11803129 -0.27884699  0.08690056
   0.23437377 -0.04924261  0.86048658
   0.29965289  0.39352328  0.72706541
   0.39935332  0.39299552  0.73778239
   0.16698697  0.71414030  0.05356650
   0.44298205  0.61958921  0.45046473
   0.05977181  0.94793700  0.04434469
   0.29427757  0.89394592  0.20742450
   0.28520906  0.58697433  0.49851483
   0.53006356  0.83934770  0.94677359
   0.14521319  0.88090414  0.68106797
   0.24436857  0.90139577  0.70822402
   0.53148953 -0.00542906  0.92896045
   0.64683294  0.14838522  0.42373033
   0.79315354  0.50812811  0.11917015
   1.05556961  0.48094935  0.22495784
   0.59139568  0.15416521  0.45402722
   0.85083659  0.21395464  0.88694636
   0.50422064  0.39743679  0.55265993
   1.00389942  0.37987905  0.86769394
   0.45799783  0.68458147  0.00454332
   0.49827898  0.39121721  0.49890044
   0.58868003  0.85901772  0.11734649
   0.76590334  0.43671179 -0.43053019
   0.61979754  0.61407637  0.55586158
   0.95992224  0.72798539  0.91526077
   0.52012938  0.92620409  0.69561515
   0.84678772  0.91988074  0.90651904
  -0.02034416 -0.04235512  0.07778159
   0.51361436  0.17061260  0.39714446
   0.07932275  0.20870375  0.01117444
   0.32764794  0.60346987  0.36304728
   0.52490903  0.24270855  0.16620468
  -0.01795322  0.37165526  0.24789552
   0.12688689  0.02222521  0.45982910
  -0.18354972  0.19192375  0.48461120
   0.10329557  0.06946175  0.47484714
   0.16539248  0.37196053  0.74319778
   0.29173694  0.32421067  0.56675147
   0.54736477  0.41810671  0.81448721
   0.31612819  0.39329096  0.57458260
   0.00048025  0.41472963  0.74694201
   0.19853330  0.04894580 -0.10720820
   0.13521575  0.13356488  0.86831923
   0.30296236  0.69386934  0.10827320
   0.24603479  0.82787948  0.27489696
   0.03285255  0.75512410  0.03838194
   0.49262014  0.90647211  0.23636330
   0.42602340  0.96177547  0.16775817
   0.27241849  0.98934554  0.07186057
   0.42958386  0.67743589  0.37376911
  -0.34702394  0.51800073  0.27472832
   0.19940306  0.36291883  0.58486167
   0.42167163  0.87568618  0.72239624
   0.10261165  0.60080469  0.46411060
   0.55851714  1.35156433  0.81312343
   0.43144155  0.97413770  0.63765790
   0.14729414  0.93482347  0.63694275
   0.15485974  0.79016534 -0.02697048
   0.11146431  0.80401842  1.02646487
   0.53804689 -0.05128642 -0.10800864
   0.94442580  0.22065710  0.03858130
   1.11469661  0.58203324 -0.05961820
   0.58234799  0.37004399  0.45235838
   0.04016302  0.38190062  0.17892356
   0.53855084  0.57626623  0.11269377
   0.75009955  0.21544308  0.38206742
   0.44389561  0.09766631  0.46710985
   0.62592346  0.02775051  0.57470960
   0.92498809  0.41638754  0.77015945
   0.62562182  0.32217428  0.52005318
   0.66940370  0.33983268  0.95334408
   1.10259557  0.63759221  0.52173309
   0.63696880  0.42975398  0.60640182
   0.69282809 -0.07121256  0.89903921
   0.26128417 -0.00687449  0.98071472
   0.47871928  0.58784787  0.03680925
   0.79962022  0.86178568  0.17756672
   0.07359070  0.40421447  0.29967793
   0.93421723  1.09484934  0.25825450
   0.88851773  0.90279973  0.04932366
   0.64902244  0.87893074  0.20121628
   1.09281710  0.86509357  0.21860883
   0.45351980  0.73091497  0.43832180
   0.67332642  0.55729653  0.54061904
   1.01728467  0.82192582  0.73070675
   0.61711224  1.64662135  2.08636783
   0.80347152  0.88242629  0.81768422
   0.87784766  0.83816867  0.67864675
   0.70031781  0.97619767  0.68665391
   0.89877631  0.93027419  0.98014606
   0.42372764  0.68337719  0.94585284
   8.30546441  6.03451123  0.42164882
   1.94088136 -0.43306324  1.92936372
   1.65736318  1.53679307  3.10136099
   2.90487523  3.13069986 -1.49737763
  -5.50287637 -1.42363996 -1.30729401
   3.47684817 -3.08272373  3.55931424
   0.32204628 -0.84101215 -1.10851736
  -1.03153032 -0.39027898 -1.42690963
  -0.79872264 -0.52007882 -3.71389994
   9.59553968  9.25296472  3.09575306
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.137066   -1.994848   -3.280777
    -0.000000   26.184645    1.066275
    -0.000000    0.000000   32.074580
   Si   O    H 
    32    64    10
Direct configuration=  4010
   0.09500424  0.31643559  0.02617794
   0.28066201  0.06547454  0.47505776
   0.33369350  0.49949039  0.00867767
   0.81138411 -0.20471593  0.55785184
   0.12170880 -0.28106762  0.08861251
   0.23454268 -0.05039002  0.86395808
   0.31296204  0.39414566  0.72949993
   0.39263753  0.39345023  0.73530299
   0.16720507  0.71356798  0.05491221
   0.44316485  0.61825297  0.45435353
   0.04866263  0.94597186  0.04422638
   0.29197660  0.89501645  0.20708024
   0.28987068  0.58707500  0.49970066
   0.53051384  0.84551947  0.94750738
   0.13772358  0.88145790  0.67969329
   0.24288521  0.90073443  0.70806727
   0.52953878 -0.00636270  0.92993592
   0.64458938  0.14851419  0.42676371
   0.79083088  0.50755171  0.11871957
   1.05600871  0.47841875  0.22557423
   0.59541744  0.15378131  0.45182013
   0.84739315  0.21477846  0.88558376
   0.49390236  0.39614181  0.54905202
   1.00233714  0.37906740  0.87024112
   0.45973302  0.68531253  0.00348583
   0.49795944  0.39237743  0.49923185
   0.59222068  0.85841167  0.11746125
   0.76626536  0.43712123 -0.43167092
   0.61724068  0.61379411  0.55478821
   0.96191515  0.72898914  0.91374312
   0.51764996  0.92488703  0.69502581
   0.85230670  0.91906645  0.90552971
  -0.01599838 -0.04244705  0.08151957
   0.50571440  0.17175574  0.39676482
   0.08499391  0.21089433  0.01048797
   0.33300964  0.60600990  0.35886460
   0.52762317  0.24190865  0.16573483
  -0.01396955  0.37940821  0.24542746
   0.13587409  0.01654755  0.45768183
  -0.17636042  0.19404967  0.48514802
   0.09880196  0.08041094  0.47659367
   0.15482270  0.37191238  0.74413029
   0.29476439  0.32291528  0.56742097
   0.55002191  0.41826919  0.81502980
   0.31301508  0.39516148  0.57549454
   0.00398700  0.41350981  0.74514958
   0.20034207  0.05407652 -0.10590728
   0.14253717  0.13423431  0.86818922
   0.29412102  0.69371994  0.10347675
   0.24611389  0.83281561  0.27261095
   0.03361045  0.75453563  0.03919267
   0.48392724  0.90372809  0.23306722
   0.42760389  0.96136794  0.16374367
   0.27128333  0.98893695  0.07147620
   0.42910443  0.67659612  0.37492065
  -0.36182179  0.51349686  0.26904788
   0.19411616  0.36344819  0.58424132
   0.42228881  0.87295596  0.72484970
   0.11400160  0.59797503  0.46463379
   0.56133099  1.35227184  0.81202261
   0.43195799  0.97463844  0.64026367
   0.14829054  0.93281542  0.64010453
   0.15608823  0.78495851 -0.02881342
   0.11692606  0.80447963  1.02572863
   0.53398932 -0.05283016 -0.11121478
   0.94189426  0.22208653  0.03670236
   1.11753007  0.58365215 -0.06083816
   0.58741707  0.36717680  0.44918109
   0.04331706  0.38609129  0.17895661
   0.54610588  0.57884172  0.11485763
   0.75108003  0.21480545  0.38398517
   0.43739956  0.09569263  0.46893988
   0.62526609  0.02943816  0.57285147
   0.92162151  0.41490977  0.77235223
   0.63180960  0.32231707  0.52026414
   0.66494501  0.33959285  0.95419481
   1.10826544  0.63793098  0.51961689
   0.64185452  0.43163571  0.61036540
   0.69267876 -0.07497943  0.89997195
   0.26119223 -0.00873326  0.98235628
   0.48382038  0.58892419  0.03407479
   0.80291801  0.86523732  0.17842073
   0.07534842  0.40059785  0.30172989
   0.94168746  1.10022165  0.25885760
   0.89683818  0.90458519  0.04744846
   0.64739558  0.87659950  0.19952448
   1.08441533  0.86301259  0.21733004
   0.45553910  0.73206791  0.43660550
   0.67298288  0.55514356  0.53939024
   1.00953960  0.82504706  0.72835842
   0.60944658  1.64322565  2.08525747
   0.80008244  0.88308545  0.82011111
   0.89078908  0.83818492  0.67953605
   0.70040723  0.98035620  0.68640579
   0.90260522  0.93455217  0.97972065
   0.41730319  0.67895850  0.94632131
   8.11395044  6.01699646  0.38936395
   1.89206138 -0.44930550  1.91772396
   1.71898263  1.53513487  3.14076851
   2.92682871  3.12305511 -1.49446207
  -5.55783392 -1.42500875 -1.30737106
   3.54800130 -3.07749371  3.52089881
   0.30449141 -0.83634947 -1.10673637
  -1.07604764 -0.38220711 -1.42346620
  -0.93268097 -0.58142284 -3.67612646
   9.82465431  9.42399871  3.26096710
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.170213   -1.931125   -3.273940
    -0.000000   26.227742    1.075389
    -0.000000    0.000000   32.280753
   Si   O    H 
    32    64    10
Direct configuration=  4011
   0.09058348  0.31725772  0.02661721
   0.28288662  0.06775934  0.47454905
   0.32918259  0.49788089  0.00780429
   0.80907295 -0.20744225  0.55900815
   0.12188604 -0.28211108  0.09149557
   0.23415038 -0.05044275  0.86775084
   0.31719231  0.39467644  0.73126660
   0.39699220  0.39332543  0.73423203
   0.17130720  0.71134055  0.05288835
   0.44268840  0.61804305  0.45688978
   0.04814778  0.94589303  0.04364809
   0.29082347  0.89708437  0.20575367
   0.29946146  0.58730006  0.50204820
   0.53044635  0.85142166  0.94821636
   0.12212066  0.87663603  0.67977309
   0.25394352  0.90040229  0.70877732
   0.52479375 -0.00793383  0.93043320
   0.65220670  0.14718933  0.42274014
   0.78956985  0.50680721  0.11851029
   1.05651404  0.47662869  0.22609225
   0.58929195  0.15570419  0.45713082
   0.84455454  0.21540863  0.88447625
   0.48839911  0.39727710  0.54947522
   1.00047394  0.37849047  0.87222694
   0.46231894  0.68576976  0.00394509
   0.50138214  0.39254785  0.49948101
   0.59582050  0.85729654  0.11693464
   0.76424465  0.43755367 -0.43203736
   0.61516642  0.61317363  0.55267185
   0.96466830  0.72966031  0.91303849
   0.51449784  0.92311104  0.69496673
   0.85774656  0.91822433  0.90412429
  -0.02019747 -0.04485721  0.08433445
   0.49918809  0.17283990  0.39529511
   0.08711045  0.21043871  0.00951224
   0.33605792  0.60644063  0.35620858
   0.53024770  0.24067147  0.16517654
  -0.00826286  0.38540346  0.23778691
   0.14152207  0.01718058  0.45929533
  -0.17126695  0.19491661  0.48516845
   0.09902575  0.08414103  0.47654539
   0.14311413  0.37422224  0.74526087
   0.29198089  0.32628350  0.56996690
   0.55177022  0.41909967  0.81529243
   0.31694184  0.39653935  0.57576845
   0.00945226  0.41159554  0.74291759
   0.20489627  0.05566638 -0.10480304
   0.15019265  0.13568894  0.86761484
   0.28828406  0.69345295  0.10029870
   0.24308001  0.83856853  0.26875563
   0.03193925  0.75548586  0.04093468
   0.47438347  0.90236629  0.22827363
   0.42476754  0.95696658  0.16263198
   0.26652650  0.98740030  0.07201228
   0.43342527  0.67906866  0.37940174
  -0.37231047  0.50802077  0.26382540
   0.19301060  0.35999554  0.58237514
   0.40916341  0.87304440  0.72545084
   0.11296435  0.59585938  0.46249303
   0.56004380  1.35349769  0.80841095
   0.43313566  0.97504242  0.64273752
   0.15449520  0.93791241  0.63954487
   0.16097999  0.77973948 -0.03152746
   0.11830183  0.80382382  1.02586292
   0.52688692 -0.05266524 -0.11323175
   0.94283124  0.22441075  0.03415307
   1.12668122  0.58593776 -0.06099523
   0.59296023  0.36351615  0.44765140
   0.04320173  0.38955410  0.18115949
   0.55211615  0.58418503  0.11455659
   0.75054285  0.21387479  0.38669818
   0.42726517  0.09263957  0.47147985
   0.62396469  0.03070148  0.57053665
   0.91889179  0.41267658  0.77593378
   0.63409131  0.32330196  0.51795953
   0.66142202  0.33990667  0.95586710
   1.11644942  0.63740270  0.51755055
   0.63686914  0.43035301  0.60696672
   0.70187240 -0.07982590  0.90094439
   0.26285965 -0.01062118  0.98323444
   0.49285715  0.58989005  0.03405570
   0.80745161  0.86841720  0.17821673
   0.07766363  0.39558025  0.30372993
   0.94802967  1.10524812  0.25879026
   0.90386515  0.90827576  0.04698894
   0.64314303  0.87533862  0.20079338
   1.08443362  0.86087877  0.21742199
   0.45682398  0.72967298  0.43319908
   0.67320240  0.55425967  0.53904095
   0.99741147  0.82693391  0.72656223
   0.59592586  1.63709236  2.08325220
   0.79453706  0.88390246  0.82180239
   0.91226063  0.83939750  0.68090180
   0.70076452  0.98502014  0.68635402
   0.90124365  0.93683273  0.98043554
   0.41018675  0.67652080  0.94546260
   7.95520107  6.00737229  0.35759262
   1.76041020 -0.46835838  1.90181452
   1.78330013  1.53290168  3.16519161
   2.97050991  3.11904258 -1.49412284
  -5.61694222 -1.44532801 -1.29656370
   3.61314893 -3.05967526  3.49121974
   0.23539666 -0.83465261 -1.10915744
  -1.14643298 -0.36569027 -1.42038868
  -1.04007883 -0.59783872 -3.60565257
   9.99320008  9.60470276  3.42305355
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.201421   -1.867296   -3.267036
    -0.000000   26.270892    1.085664
    -0.000000    0.000000   32.482610
   Si   O    H 
    32    64    10
Direct configuration=  4012
   0.08632089  0.31932922  0.02709743
   0.28667413  0.07030321  0.47337813
   0.32448566  0.49682866  0.00694714
   0.80729057 -0.21023135  0.56057794
   0.12267017 -0.28249349  0.09105989
   0.23350486 -0.04920568  0.87139504
   0.31363687  0.39415039  0.73292687
   0.41040865  0.39196566  0.73467126
   0.17291031  0.70856239  0.05141390
   0.43950465  0.61844730  0.45655497
   0.05826718  0.94803001  0.04305002
   0.28735883  0.90010687  0.20279792
   0.30929125  0.58805064  0.50422306
   0.52972789  0.85691832  0.94860240
   0.12571151  0.87608982  0.68254232
   0.24850489  0.89559128  0.70629186
   0.51850005 -0.01009254  0.93030972
   0.65504323  0.14806546  0.41817805
   0.78892190  0.50614639  0.11911540
   1.05961102  0.47724444  0.22838632
   0.57808272  0.15542041  0.46080610
   0.84236551  0.21590148  0.88386353
   0.48677642  0.39997661  0.55200476
   0.99834147  0.37804706  0.87332591
   0.46432415  0.68656738  0.00489718
   0.50897005  0.39134759  0.50089234
   0.59989266  0.85634152  0.11656498
   0.75944541  0.43798271 -0.43182931
   0.61017356  0.61256192  0.55025318
   0.96795310  0.72994952  0.91336482
   0.51282226  0.92153825  0.69541171
   0.86356661  0.91771835  0.90248981
  -0.02634954 -0.04702674  0.08685982
   0.50224961  0.17197878  0.39704030
   0.08495779  0.20894363  0.00880047
   0.33885524  0.60581700  0.35758602
   0.53268928  0.23937402  0.16495660
  -0.01194533  0.38713027  0.23140334
   0.13889430  0.02257175  0.46118652
  -0.16370171  0.19566012  0.48524532
   0.10567468  0.08163751  0.47475350
   0.13433526  0.37737689  0.74591370
   0.28949802  0.32975291  0.57257052
   0.55020531  0.41997157  0.81431034
   0.32379395  0.39799682  0.57627215
   0.01086144  0.40977711  0.74219709
   0.21061566  0.05324444 -0.10383840
   0.15910876  0.13756701  0.86735993
   0.28842337  0.69249149  0.09935790
   0.24168830  0.84291629  0.26711569
   0.03319790  0.76014282  0.04220595
   0.47024981  0.90120401  0.22338140
   0.41648807  0.95096806  0.16262785
   0.25832119  0.98482074  0.07275052
   0.44034160  0.68042497  0.38231472
  -0.37914276  0.50275442  0.25857899
   0.19199249  0.35677940  0.58046687
   0.39721765  0.87506563  0.72557424
   0.11285407  0.59491247  0.46150314
   0.55563694  1.35485678  0.80305927
   0.43666703  0.97584239  0.64540060
   0.16050164  0.94298903  0.63902234
   0.16665674  0.77629299 -0.03188250
   0.11446889  0.79851767  1.02457330
   0.51994213 -0.05162813 -0.11423167
   0.94624422  0.22623465  0.03068871
   1.13543024  0.58778441 -0.06081322
   0.59742809  0.35932118  0.44877804
   0.04578394  0.39129308  0.17979121
   0.55465063  0.58905850  0.11210653
   0.74606898  0.21037344  0.39001412
   0.42522270  0.09288422  0.47410994
   0.62192861  0.03069767  0.56772951
   0.91985617  0.40998579  0.77933961
   0.63313143  0.32519976  0.51293948
   0.65846373  0.34053430  0.95823757
   1.12679001  0.63574867  0.51536002
   0.62308923  0.42682459  0.59724601
   0.71499304 -0.08501251  0.90217509
   0.26557527 -0.01197557  0.98335768
   0.50650068  0.58857471  0.03817767
   0.80815504  0.87108852  0.17740291
   0.08114833  0.39286637  0.30537840
   0.95395568  1.10888793  0.25926888
   0.90161301  0.90884631  0.04754275
   0.63953754  0.87407001  0.20281446
   1.08736273  0.85985109  0.21669471
   0.45918341  0.72729590  0.43307600
   0.67184348  0.55205923  0.53838967
   0.98482274  0.82683564  0.72816698
   0.58121684  1.63314734  2.07948379
   0.78728571  0.88525547  0.82279473
   0.92833501  0.84107152  0.67968552
   0.69832122  0.98902775  0.68616278
   0.89625133  0.93822067  0.98051108
   0.40244023  0.67599903  0.94415882
   7.85628904  6.01947883  0.34311357
   1.68481152 -0.46847830  1.89820656
   1.79558465  1.51937514  3.17462460
   2.98825057  3.12784879 -1.48629608
  -5.66178209 -1.43326621 -1.29585256
   3.67653619 -3.01310024  3.47271896
   0.15201385 -0.82723393 -1.11721304
  -1.12499921 -0.31548203 -1.40148106
  -1.10159265 -0.60659067 -3.54362231
  10.11286524  9.77023588  3.55364441
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.232250   -1.804079   -3.259801
    -0.000000   26.314264    1.096072
    -0.000000    0.000000   32.679297
   Si   O    H 
    32    64    10
Direct configuration=  4013
   0.08345539  0.32223541  0.02732341
   0.28688100  0.07262485  0.47189776
   0.31971746  0.49537893  0.00626553
   0.80586702 -0.21223286  0.56181255
   0.12625099 -0.28292398  0.08731452
   0.23265888 -0.04661228  0.87469622
   0.29821238  0.39340675  0.73512236
   0.43347211  0.39047846  0.73564048
   0.17160108  0.70473436  0.05198474
   0.43405624  0.61859209  0.45463029
   0.06748541  0.95063496  0.04377259
   0.28027265  0.90263653  0.19962326
   0.32273437  0.58913229  0.50693503
   0.52872825  0.86222161  0.94859877
   0.13200490  0.87725775  0.68361109
   0.23654763  0.89124867  0.70388106
   0.51203143 -0.01291469  0.92940495
   0.64393634  0.14817583  0.42056334
   0.78833242  0.50504565  0.12081300
   1.06562231  0.47964382  0.23273421
   0.57472198  0.15189390  0.45773927
   0.84115322  0.21609250  0.88385181
   0.48682421  0.40186201  0.55026165
   0.99644553  0.37788498  0.87356006
   0.46465965  0.68732092  0.00525721
   0.51694155  0.39051816  0.50611661
   0.60417590  0.85567571  0.11710951
   0.75360198  0.43810832 -0.43164152
   0.60436237  0.61178618  0.54743107
   0.97188926  0.73009249  0.91447939
   0.51229982  0.92029967  0.69610794
   0.87026475  0.91776112  0.90136681
  -0.02988035 -0.05017821  0.08531662
   0.50301346  0.17258220  0.39808144
   0.08168502  0.20847376  0.00786719
   0.34278433  0.60487085  0.36262923
   0.53441813  0.23799039  0.16435843
  -0.02018904  0.38431395  0.22914561
   0.13290202  0.03091831  0.46358308
  -0.15129675  0.19798428  0.48643345
   0.11836481  0.07635749  0.47178466
   0.13628909  0.38068361  0.74647305
   0.29483521  0.32859367  0.57402929
   0.54696612  0.42279666  0.81251360
   0.32338269  0.39990686  0.57836595
   0.00863830  0.40874135  0.74253133
   0.21576852  0.05002985 -0.10302704
   0.16760721  0.13796418  0.86701743
   0.29144655  0.69145819  0.09967469
   0.24411768  0.84536939  0.26844736
   0.03312886  0.76404225  0.04389948
   0.47222159  0.89835206  0.22023722
   0.40574642  0.94754775  0.15891132
   0.25204119  0.98175007  0.07414114
   0.44937317  0.68016012  0.38261143
  -0.38297640  0.49789629  0.25327038
   0.18884765  0.35830698  0.57922428
   0.39752218  0.87631878  0.72641076
   0.10426131  0.59291146  0.45710576
   0.55035155  1.35482756  0.79694237
   0.44137189  0.97691699  0.64815754
   0.16439675  0.94532405  0.64001154
   0.17128886  0.77443891 -0.03038788
   0.11161900  0.79473444  1.02052479
   0.51636710 -0.05037490 -0.11380441
   0.94784481  0.22647383  0.02635277
   1.14343011  0.58928282 -0.06049666
   0.59810561  0.35584025  0.44884262
   0.05074903  0.39191558  0.17569227
   0.54576728  0.58648805  0.10795034
   0.74361016  0.20995796  0.39213610
   0.43137746  0.09585935  0.47637715
   0.61933151  0.02967018  0.56541065
   0.92007343  0.40706179  0.78339911
   0.63170804  0.32531760  0.50868157
   0.65560780  0.33998555  0.96154606
   1.13911972  0.63430928  0.51518522
   0.61134255  0.42393625  0.58693328
   0.72476661 -0.08973654  0.90372692
   0.26914729 -0.01232175  0.98341270
   0.52309379  0.58381165  0.04839277
   0.80423523  0.87332515  0.17655385
   0.08221095  0.39259610  0.30299452
   0.95885766  1.11143505  0.25987944
   0.89827399  0.90887877  0.04899447
   0.63708039  0.87264595  0.20349551
   1.08820323  0.86035524  0.21385633
   0.46274495  0.72689594  0.43644482
   0.67131900  0.55247363  0.53789759
   0.97663272  0.82548427  0.73256901
   0.57671611  1.64025299  2.07210276
   0.77971631  0.88718626  0.82317939
   0.93724325  0.84363600  0.67555586
   0.69235545  0.99219777  0.68536671
   0.89041292  0.93886949  0.98033067
   0.39525977  0.67724785  0.94321970
   7.80547853  6.03927621  0.34956958
   1.61520480 -0.45196948  1.88911507
   1.77265617  1.50097584  3.16752461
   2.98342892  3.13067990 -1.47725453
  -5.70005449 -1.42461287 -1.29373248
   3.73534713 -2.96184595  3.46495557
   0.08184129 -0.83845281 -1.11771262
  -1.09047939 -0.28374703 -1.37727262
  -1.11811710 -0.60065905 -3.48011031
  10.20014944  9.92257387  3.67430672
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.263557   -1.742129   -3.251668
    -0.000000   26.357385    1.107090
    -0.000000    0.000000   32.872523
   Si   O    H 
    32    64    10
Direct configuration=  4014
   0.08134614  0.32519406  0.02737690
   0.29128610  0.07522968  0.47072229
   0.31464263  0.49387717  0.00550525
   0.80156796 -0.21360951  0.56150666
   0.12771258 -0.28300042  0.08370502
   0.23115234 -0.04338458  0.87729599
   0.29576700  0.39344122  0.73775302
   0.44455649  0.38954174  0.73646713
   0.17093235  0.70029727  0.05224796
   0.42776729  0.61873698  0.45200949
   0.06909183  0.95220742  0.04539876
   0.27293263  0.90406514  0.19733454
   0.33291201  0.59067845  0.50837294
   0.52790342  0.86669968  0.94829879
   0.13652658  0.87875252  0.68401719
   0.22897444  0.88637579  0.70276380
   0.50584843 -0.01552458  0.92807333
   0.63099734  0.14728966  0.42588834
   0.78828097  0.50356038  0.12295538
   1.07376892  0.48180662  0.23798234
   0.57698493  0.14725024  0.45467890
   0.84036080  0.21627760  0.88437253
   0.47757277  0.40133259  0.54647172
   0.99457064  0.37798433  0.87338974
   0.46324021  0.68658575  0.00466628
   0.52508565  0.39027223  0.51083724
   0.60850202  0.85537649  0.11845945
   0.74713117  0.43862980 -0.43078370
   0.59719873  0.61080501  0.54384692
   0.97631306  0.73028114  0.91615760
   0.51275884  0.91924967  0.69721342
   0.87790640  0.91829614  0.90100162
  -0.02376439 -0.05061637  0.08320966
   0.48817269  0.17681537  0.39296952
   0.08045945  0.20971472  0.00653891
   0.34764630  0.60442868  0.36865857
   0.53525780  0.23656159  0.16396714
  -0.02850285  0.37824959  0.22917648
   0.12706456  0.02440213  0.46299885
  -0.13730841  0.20128922  0.48782509
   0.11789366  0.08559562  0.47193573
   0.14090402  0.38392322  0.74739230
   0.30528945  0.32865689  0.57504646
   0.54197686  0.42593664  0.80997986
   0.31420011  0.39864975  0.58135164
   0.00404210  0.40806382  0.74403433
   0.22051103  0.04596056 -0.10229470
   0.17486822  0.13698677  0.86743983
   0.29469443  0.69047271  0.09985105
   0.24659816  0.84779213  0.26989097
   0.03461541  0.76582341  0.04490843
   0.46893474  0.89550935  0.21724611
   0.39702679  0.94663486  0.15239246
   0.25116655  0.97912395  0.07679112
   0.45910135  0.67757794  0.38230078
  -0.38444589  0.49361539  0.24761423
   0.18976602  0.36252475  0.57776840
   0.39869896  0.87766988  0.72714796
   0.09975974  0.58994836  0.45359827
   0.54600420  1.35481582  0.79087239
   0.44632902  0.97845253  0.64991055
   0.16784942  0.94475231  0.64257335
   0.17485878  0.77260536 -0.02910676
   0.10843166  0.79313903  1.01675409
   0.51638410 -0.04932327 -0.11234484
   0.94509762  0.22538327  0.02171449
   1.14951759  0.59060971 -0.06033963
   0.59872664  0.35306026  0.44739434
   0.05573643  0.39294040  0.17120200
   0.53633339  0.58432141  0.10344338
   0.74303681  0.21070264  0.39367618
   0.44396723  0.09952151  0.47802669
   0.61487035  0.02770051  0.56494827
   0.91992774  0.40390178  0.78760292
   0.63278014  0.32480816  0.50606033
   0.65355072  0.33942483  0.96547534
   1.15433444  0.63384841  0.51654622
   0.61433401  0.42408701  0.58134538
   0.72975384 -0.09484009  0.90522480
   0.27359744 -0.01131367  0.98412645
   0.53631062  0.57775177  0.05670280
   0.80061742  0.87516988  0.17640078
   0.08068162  0.39416881  0.29752166
   0.96419393  1.11435067  0.25973089
   0.89230385  0.90740707  0.04722154
   0.63704461  0.87065210  0.20268654
   1.08811100  0.86163548  0.21050707
   0.46727414  0.72813339  0.44181265
   0.67065974  0.55442864  0.53785090
   0.97291507  0.82525293  0.73650334
   0.57845356  1.65030794  2.06723774
   0.77209269  0.88929823  0.82313864
   0.93965478  0.84512908  0.67148098
   0.68574678  0.99507272  0.68407095
   0.88560432  0.93838934  0.98027801
   0.38863505  0.68049834  0.94339180
   7.77132985  6.07535203  0.37903393
   1.56643822 -0.44286864  1.86862524
   1.71046090  1.48929838  3.16159706
   3.01533002  3.11915459 -1.47558712
  -5.72656501 -1.42892147 -1.29038699
   3.82896096 -2.96241533  3.46958830
   0.04116164 -0.85630936 -1.11678417
  -0.99348818 -0.26867924 -1.32348040
  -1.09794499 -0.61352492 -3.44685790
  10.25926050 10.10014670  3.75345275
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.292141   -1.682192   -3.243214
    -0.000000   26.399920    1.118376
    -0.000000    0.000000   33.062336
   Si   O    H 
    32    64    10
Direct configuration=  4015
   0.07936178  0.32712868  0.02715582
   0.29470357  0.07820858  0.46994763
   0.30985698  0.49231700  0.00477354
   0.79765537 -0.21527195  0.56132665
   0.12460082 -0.28216911  0.08232623
   0.22969455 -0.04061126  0.87904993
   0.31515213  0.39414153  0.74062981
   0.43577784  0.38897971  0.73597234
   0.17416382  0.69578483  0.05042673
   0.42387028  0.61984415  0.45101648
   0.06223718  0.95222758  0.04710426
   0.27058585  0.90478691  0.19620861
   0.33661588  0.59225613  0.50753746
   0.52788523  0.87008228  0.94789559
   0.11819293  0.87901022  0.67953301
   0.24582641  0.88525649  0.70635676
   0.49952579 -0.01680467  0.92674277
   0.62741262  0.14814582  0.42350927
   0.78617925  0.50155196  0.12666121
   1.07934848  0.48111304  0.24174436
   0.56843635  0.14404243  0.45815578
   0.84037231  0.21578018  0.88475402
   0.45750954  0.40003621  0.54551658
   0.99326427  0.37788574  0.87362592
   0.46170370  0.68445202  0.00323792
   0.53457380  0.38996841  0.51204597
   0.61105556  0.85542481  0.11941854
   0.73952886  0.44012130 -0.42987733
   0.59138744  0.60939697  0.54039921
   0.98100819  0.73013729  0.91805666
   0.51309262  0.91806793  0.69923353
   0.88606130  0.91916421  0.90151518
  -0.01544711 -0.05128284  0.07931715
   0.47938659  0.17976603  0.38934050
   0.08139848  0.21328361  0.00613009
   0.34922435  0.60343088  0.37076116
   0.53594564  0.23513515  0.16345101
  -0.02682628  0.37546321  0.22711731
   0.12187144  0.01871053  0.46257313
  -0.12374415  0.20389307  0.48906552
   0.12374971  0.09464915  0.47164641
   0.13866242  0.38677936  0.74898261
   0.31333331  0.33156309  0.57561873
   0.53731200  0.42841468  0.80841001
   0.31052956  0.39750963  0.58359162
  -0.00092946  0.40714926  0.74624518
   0.22300868  0.04410839 -0.10169977
   0.18105737  0.13394798  0.86912322
   0.29592769  0.68991680  0.09867145
   0.24669249  0.85144427  0.26930738
   0.04161081  0.76616767  0.04451682
   0.45512957  0.89421130  0.21315013
   0.39128634  0.94540932  0.14719773
   0.25426729  0.97708641  0.07941494
   0.46914199  0.67569125  0.38580503
  -0.38497892  0.48969126  0.24225176
   0.19145739  0.36417275  0.57572152
   0.40071586  0.87921116  0.72719282
   0.10479808  0.58739679  0.45326678
   0.54274956  1.35569282  0.78604592
   0.45038151  0.98024563  0.65037795
   0.17476804  0.94154028  0.64750259
   0.17804226  0.77028259 -0.02866050
   0.10336501  0.79307408  1.01605873
   0.51880890 -0.04945271 -0.11044719
   0.94050687  0.22393136  0.01745301
   1.15439437  0.59176372 -0.06035693
   0.59826912  0.35081075  0.44329116
   0.05594423  0.39583984  0.17218388
   0.53142321  0.58961952  0.10342623
   0.73827010  0.21063599  0.39644873
   0.45305398  0.10144722  0.47942511
   0.60957379  0.02536216  0.56573026
   0.92041646  0.40092034  0.79052723
   0.63640083  0.32165988  0.50568522
   0.65097945  0.33929369  0.96976584
   1.16976185  0.63314066  0.51740911
   0.62592762  0.42617191  0.57871384
   0.72997363 -0.09985163  0.90638355
   0.27799514 -0.00926045  0.98496416
   0.54857553  0.57423795  0.05652562
   0.80164692  0.87673407  0.17682594
   0.07773437  0.39528178  0.29159578
   0.96913767  1.11671013  0.25973434
   0.89242640  0.90836298  0.04494544
   0.63870214  0.86868391  0.20161166
   1.08669777  0.86250934  0.20861584
   0.47084185  0.72792479  0.44442697
   0.66949619  0.55755008  0.53802084
   0.97214769  0.82722961  0.73908800
   0.57672329  1.65200727  2.06678743
   0.76456518  0.89147668  0.82315487
   0.93949577  0.84753019  0.66896607
   0.67756315  0.99670220  0.68240193
   0.88300917  0.93683497  0.98018444
   0.38328358  0.68542278  0.94423532
   7.79060991  6.07878204  0.40588633
   1.52992037 -0.45208806  1.84255176
   1.75097811  1.49433829  3.12578044
   3.02234321  3.09797365 -1.48720999
  -5.73436586 -1.44183066 -1.28899724
   3.88995100 -2.96146915  3.46987969
  -0.03073283 -0.85610699 -1.11412500
  -0.91968272 -0.29101058 -1.29224043
  -1.01716619 -0.65205478 -3.42605170
  10.31980984 10.24551023  3.81092436
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.319735   -1.624544   -3.233872
    -0.000000   26.441966    1.129476
    -0.000000    0.000000   33.248448
   Si   O    H 
    32    64    10
Direct configuration=  4016
   0.07648368  0.32742736  0.02681452
   0.29964806  0.08195712  0.46936655
   0.30409902  0.49049059  0.00354105
   0.79457218 -0.21719525  0.56125320
   0.12245994 -0.28275065  0.08068354
   0.22865962 -0.03920149  0.87979522
   0.32939663  0.39508200  0.74390385
   0.42256791  0.38802193  0.73389924
   0.17581598  0.69339004  0.04952416
   0.42148557  0.62096765  0.45308103
   0.05826357  0.95178295  0.04736301
   0.27074554  0.90521705  0.19527734
   0.33754849  0.59345358  0.50404812
   0.52856170  0.87199773  0.94760654
   0.11234473  0.87762450  0.67924731
   0.24783526  0.88419748  0.70837642
   0.49211715 -0.01670643  0.92560127
   0.62904261  0.15213467  0.41766119
   0.78473855  0.49943163  0.13039822
   1.08223462  0.47931178  0.24269216
   0.55995015  0.14328882  0.46369522
   0.83739127  0.21697167  0.88477992
   0.44256024  0.39857624  0.54415085
   0.99233061  0.37724516  0.87453851
   0.45942425  0.68127096  0.00143080
   0.53846749  0.39064091  0.51495843
   0.61214350  0.85535468  0.11955960
   0.73357198  0.44152485 -0.42903719
   0.58690637  0.60820563  0.53733696
   0.98656110  0.72972430  0.92015383
   0.51525247  0.91718425  0.70149142
   0.89456654  0.92054916  0.90274132
  -0.01030146 -0.05099764  0.07850780
   0.47501026  0.18148939  0.38691348
   0.08359142  0.21836263  0.00628393
   0.34974712  0.60247381  0.36888937
   0.53629399  0.23388562  0.16306796
  -0.01898171  0.37700936  0.22168312
   0.11786882  0.01874388  0.46262657
  -0.11114429  0.20543749  0.49012939
   0.13153764  0.09699268  0.46984305
   0.15020987  0.38944744  0.75048591
   0.31818350  0.33398325  0.57601741
   0.53327792  0.43064746  0.80800014
   0.32281400  0.40211067  0.58636416
  -0.00965854  0.40668989  0.74835232
   0.22388903  0.04556908 -0.10054663
   0.18573957  0.12886568  0.87130974
   0.29654544  0.68984302  0.09679909
   0.24280630  0.85566937  0.26652639
   0.04621657  0.76467250  0.04451578
   0.44271631  0.89342004  0.20913333
   0.38899124  0.94303540  0.14441538
   0.25318048  0.97597054  0.07941253
   0.47745575  0.67448363  0.39257102
  -0.38450874  0.48498226  0.23841939
   0.18572533  0.36096549  0.57262940
   0.41501940  0.87907320  0.72934347
   0.11840639  0.58581531  0.45663764
   0.54230209  1.35693515  0.78328120
   0.45293290  0.98280012  0.64979183
   0.18318802  0.94330494  0.64867593
   0.18091619  0.76838543 -0.02890527
   0.10156099  0.79562602  1.01523078
   0.52211789 -0.05076240 -0.10894982
   0.93872382  0.22340497  0.01457170
   1.15760621  0.59259799 -0.06063011
   0.59644194  0.34990683  0.43841254
   0.05260767  0.39998464  0.17731805
   0.52811322  0.60076246  0.10198369
   0.72779450  0.20918253  0.39987219
   0.45004042  0.09862592  0.48204804
   0.60455712  0.02295633  0.56673067
   0.92082215  0.39800907  0.79232053
   0.64313401  0.31645169  0.50640222
   0.64871928  0.33942643  0.97381798
   1.18038064  0.63244203  0.51786972
   0.63007359  0.42772882  0.57479692
   0.72785375 -0.10463736  0.90702056
   0.28259959 -0.00662699  0.98606051
   0.56129113  0.57649483  0.05424040
   0.80682413  0.87815508  0.17815940
   0.07537212  0.39307909  0.28958061
   0.97380231  1.11869857  0.25981318
   0.89020957  0.90818716  0.04232072
   0.63795651  0.86769745  0.20087229
   1.08368010  0.86269174  0.20817332
   0.47236908  0.72601886  0.44335255
   0.66830510  0.56120156  0.53823536
   0.97475884  0.82888010  0.74018317
   0.57283448  1.64479190  2.06951254
   0.75731500  0.89384202  0.82337294
   0.92758415  0.84940505  0.66566239
   0.66697096  0.99691415  0.68081706
   0.88233699  0.93505178  0.97883792
   0.37862280  0.69153832  0.94539944
   7.84982473  6.04044134  0.41128030
   1.48917991 -0.47231194  1.81007870
   1.80892179  1.48682186  3.10611777
   2.97573663  3.08750794 -1.48914830
  -5.73568691 -1.44258739 -1.28407354
   3.98301429 -2.96168160  3.48282695
  -0.02049951 -0.89416934 -1.11928655
  -0.84092017 -0.31766545 -1.25616738
  -0.98104680 -0.68534150 -3.41223977
  10.38655720 10.38175453  3.86051141
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.343170   -1.568143   -3.224069
    -0.000000   26.477703    1.140208
    -0.000000    0.000000   33.427356
   Si   O    H 
    32    64    10
Direct configuration=  4017
   0.07364501  0.32739658  0.02664437
   0.30405893  0.08521458  0.46883514
   0.29887108  0.48912715  0.00249183
   0.79201857 -0.21898582  0.56123456
   0.11922284 -0.28251257  0.08000691
   0.22785335 -0.03754395  0.88067352
   0.33785643  0.39616593  0.74709199
   0.41540023  0.38684948  0.73166603
   0.17919558  0.69082981  0.04782514
   0.41950547  0.62209556  0.45487136
   0.05547773  0.95132929  0.04729130
   0.27086633  0.90552873  0.19461440
   0.33821536  0.59433334  0.50116815
   0.52907802  0.87396298  0.94729288
   0.10616363  0.87653078  0.67861561
   0.25054210  0.88323912  0.71045954
   0.48557283 -0.01659902  0.92458060
   0.63088432  0.15572792  0.41210908
   0.78244316  0.49817074  0.13467237
   1.08438539  0.47746759  0.24356479
   0.55161057  0.14257854  0.46869328
   0.83471918  0.21797776  0.88499361
   0.42818277  0.39748000  0.54304203
   0.99142143  0.37668607  0.87527321
   0.45703566  0.67836565 -0.00040266
   0.54262885  0.39081055  0.51722336
   0.61299156  0.85529361  0.11976517
   0.73064788  0.44323667 -0.42823672
   0.58304984  0.60692256  0.53459599
   0.99148968  0.72932003  0.92200631
   0.51654908  0.91627398  0.70337287
   0.90244115  0.92153155  0.90387880
  -0.00649237 -0.05020321  0.07871604
   0.47115437  0.18312456  0.38481837
   0.08618967  0.22299446  0.00625631
   0.35064473  0.60158193  0.36753207
   0.53688914  0.23273806  0.16280502
  -0.01124376  0.37856047  0.21658005
   0.11479904  0.02002730  0.46285482
  -0.09986787  0.20667914  0.49114538
   0.13849245  0.09822370  0.46811085
   0.16144195  0.39190016  0.75201062
   0.32413379  0.33827391  0.57677165
   0.52960523  0.43230538  0.80747118
   0.33394848  0.40446687  0.58854478
  -0.01910600  0.40629495  0.75050301
   0.22487744  0.04662876 -0.09941135
   0.18997669  0.12425391  0.87303112
   0.29722222  0.68973582  0.09498924
   0.23936448  0.85972329  0.26413040
   0.05281337  0.76336192  0.04461086
   0.43099657  0.89270982  0.20549433
   0.38651333  0.94091530  0.14208227
   0.25198706  0.97490887  0.07915903
   0.48471475  0.67378946  0.39928062
  -0.38392576  0.48079844  0.23477671
   0.17956684  0.35767418  0.57001456
   0.42898118  0.87900888  0.73112224
   0.13133745  0.58430789  0.45964891
   0.54170058  1.35876868  0.78097758
   0.45526642  0.98481242  0.64953170
   0.19074265  0.94468803  0.64984563
   0.18269537  0.76628936 -0.02916235
   0.09821249  0.79809441  1.01415766
   0.52559624 -0.05195771 -0.10766401
   0.93714241  0.22293419  0.01222778
   1.16026477  0.59352740 -0.06095499
   0.59454436  0.34893967  0.43415520
   0.04871010  0.40355152  0.18217960
   0.52790019  0.61121479  0.09921416
   0.71741249  0.20767551  0.40275406
   0.44764688  0.09594397  0.48437280
   0.60017481  0.02088214  0.56761789
   0.92236072  0.39539884  0.79347199
   0.64958071  0.31155691  0.50710444
   0.64711755  0.33964422  0.97745882
   1.19018942  0.63200379  0.51819019
   0.62984635  0.42868437  0.57159551
   0.72679632 -0.10876016  0.90766573
   0.28670297 -0.00435690  0.98724703
   0.57238329  0.58059639  0.05350297
   0.81145656  0.87947539  0.17930834
   0.07293931  0.39123088  0.28768959
   0.97820897  1.12079878  0.25973538
   0.88772768  0.90761882  0.03945777
   0.63716302  0.86667767  0.19991617
   1.08060259  0.86289628  0.20755417
   0.47353584  0.72390055  0.44227656
   0.66641336  0.56472749  0.53819366
   0.97657269  0.83023667  0.74097214
   0.56741365  1.63610501  2.07242902
   0.75076469  0.89628964  0.82369349
   0.91685931  0.85119781  0.66258926
   0.65688570  0.99712965  0.67916399
   0.88178119  0.93337482  0.97750146
   0.37561967  0.69729311  0.94666402
   7.90324292  6.00551297  0.41725478
   1.45467276 -0.49159266  1.78049324
   1.88835782  1.46432084  3.06113023
   2.93645922  3.07567885 -1.49329614
  -5.73539228 -1.44312474 -1.27930944
   4.06645692 -2.95974269  3.49478270
  -0.01097347 -0.92792298 -1.12320079
  -0.76878064 -0.34143738 -1.22436980
  -0.94577282 -0.71558022 -3.39990705
  10.44719303 10.50386062  3.90438239
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.365610   -1.511712   -3.215293
    -0.000000   26.513012    1.151446
    -0.000000    0.000000   33.602380
   Si   O    H 
    32    64    10
Direct configuration=  4018
   0.07124087  0.32701712  0.02640414
   0.30222969  0.08767628  0.46890160
   0.29421598  0.48780769  0.00169114
   0.79018971 -0.22049329  0.56138463
   0.11481656 -0.28243123  0.07873874
   0.22699819 -0.03572721  0.88148320
   0.33183388  0.39696381  0.75047754
   0.41547541  0.38470061  0.72773975
   0.18327581  0.68815810  0.04716807
   0.42124162  0.62354657  0.45444269
   0.05510901  0.95089254  0.04632066
   0.26981269  0.90643765  0.19343083
   0.33454288  0.59345979  0.50098374
   0.52880270  0.87510768  0.94769547
   0.09943634  0.87623887  0.67777561
   0.25388220  0.88176849  0.71265745
   0.47926869 -0.01692703  0.92291028
   0.63041951  0.15698483  0.40932165
   0.78076740  0.49698164  0.13835275
   1.08577248  0.47523275  0.24473319
   0.54958878  0.14335190  0.46921605
   0.83291834  0.21832530  0.88598122
   0.41581078  0.39653079  0.54388592
   0.99101947  0.37646305  0.87646992
   0.45343181  0.67500071 -0.00249137
   0.54522502  0.38958808  0.51638635
   0.61332812  0.85563841  0.11975097
   0.73116077  0.44616941 -0.42612011
   0.58038346  0.60523011  0.53199693
   0.99709014  0.72908886  0.92469823
   0.52040795  0.91618817  0.70516067
   0.91094064  0.92297090  0.90589005
  -0.00234997 -0.04754721  0.08071106
   0.46812076  0.18429578  0.38420061
   0.08644624  0.22705525  0.00558445
   0.35232124  0.60164583  0.36702374
   0.53755846  0.23164344  0.16245350
   0.00006481  0.38376387  0.21135398
   0.10901061  0.02233807  0.46366598
  -0.09036052  0.20808920  0.49121198
   0.14871535  0.09982657  0.46475916
   0.16826899  0.39539742  0.75325227
   0.33471541  0.34178822  0.57830846
   0.52901257  0.43578161  0.80824049
   0.34828073  0.40704302  0.59176703
  -0.02074946  0.40504150  0.75255938
   0.22670269  0.04719642 -0.09711361
   0.19376968  0.12068785  0.87426717
   0.29679585  0.69029290  0.09175174
   0.23688571  0.86381621  0.26089640
   0.05723546  0.76318115  0.04398580
   0.42557556  0.89077520  0.20280341
   0.38448164  0.93783168  0.14061212
   0.24953793  0.97295904  0.07869083
   0.48932438  0.67123102  0.40379938
  -0.38326298  0.47631287  0.23220310
   0.16400677  0.35671136  0.56417294
   0.43569669  0.87752682  0.73357990
   0.14472301  0.58280617  0.46180473
   0.54173244  1.36098264  0.77918919
   0.45789123  0.98737061  0.64892880
   0.19609595  0.94475183  0.65109330
   0.18592563  0.76453984 -0.03008332
   0.09308329  0.80027417  1.01395756
   0.52697022 -0.05202520 -0.10558603
   0.93729102  0.22218235  0.00945665
   1.16244230  0.59500229 -0.06169616
   0.59269179  0.34809189  0.43207967
   0.04085486  0.40498291  0.18473056
   0.52874347  0.61978843  0.09500594
   0.70864592  0.20751134  0.40650746
   0.44571638  0.09379665  0.48661055
   0.59776291  0.01862128  0.56849282
   0.92425687  0.39334846  0.79359522
   0.65543358  0.30796332  0.50719449
   0.64737067  0.33992479  0.98131608
   1.19980505  0.63230367  0.51871596
   0.62490941  0.42899487  0.56692105
   0.72856726 -0.11193335  0.90755964
   0.29008857 -0.00269798  0.98816583
   0.57903248  0.58827022  0.05491591
   0.81433915  0.88073756  0.18068303
   0.07000235  0.38938338  0.28682130
   0.98274821  1.12287115  0.25954229
   0.88074716  0.90320398  0.03402327
   0.63607770  0.86637752  0.19887223
   1.07711561  0.86319218  0.20642142
   0.47517481  0.72368183  0.44193472
   0.66447235  0.56910285  0.53830008
   0.97695645  0.83139203  0.74178323
   0.56424058  1.62663450  2.07432738
   0.74365883  0.89803006  0.82475316
   0.91216605  0.85397856  0.66074586
   0.64768322  0.99675359  0.67825767
   0.88295023  0.93194205  0.97641574
   0.37371121  0.70232710  0.95065472
   7.94508423  5.97509352  0.40872194
   1.47015704 -0.49496684  1.79672697
   1.96040746  1.43860388  3.03339390
   2.90408612  3.07124527 -1.50131019
  -5.71448819 -1.49301948 -1.29094860
   4.15667808 -2.99610653  3.53166622
  -0.00098013 -0.95757510 -1.11535220
  -0.71723092 -0.33218356 -1.19299456
  -0.92285010 -0.76506387 -3.36356485
  10.49711864 10.61278028  3.90462761
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.384933   -1.455638   -3.207414
    -0.000000   26.548747    1.161046
    -0.000000    0.000000   33.773774
   Si   O    H 
    32    64    10
Direct configuration=  4019
   0.07021703  0.32438378  0.02579837
   0.29456337  0.08877584  0.46919285
   0.28995879  0.48668753  0.00092132
   0.78887499 -0.22176234  0.56179121
   0.11273193 -0.28385831  0.07689661
   0.22654184 -0.03405964  0.88233700
   0.32902341  0.39485838  0.75350572
   0.41407023  0.38376230  0.72502809
   0.18640973  0.68651751  0.04854535
   0.42317541  0.62433984  0.45337689
   0.05526716  0.95052919  0.04506697
   0.26736057  0.90806226  0.19163148
   0.32946430  0.59158591  0.50202064
   0.52903662  0.87525503  0.94884634
   0.09579369  0.87652675  0.67742808
   0.25567825  0.87934790  0.71435964
   0.47361404 -0.01737915  0.92123323
   0.62713532  0.15591158  0.40857982
   0.77958002  0.49596474  0.14138730
   1.08783957  0.47415608  0.24702120
   0.55330723  0.14497350  0.46711877
   0.83275551  0.21841633  0.88772150
   0.40829746  0.39620479  0.54530549
   0.99050791  0.37590280  0.87852253
   0.44730671  0.67259547 -0.00485334
   0.54247835  0.38680187  0.51379590
   0.61326228  0.85630539  0.11968371
   0.73184646  0.44950244 -0.42319620
   0.57752087  0.60329086  0.52907986
   1.00377132  0.72942717  0.92816965
   0.52525449  0.91614954  0.70692257
   0.91952229  0.92448124  0.90850009
   0.00405874 -0.04355488  0.08394117
   0.46526903  0.18506307  0.38443715
   0.08318632  0.23215030  0.00409791
   0.35784812  0.60311472  0.36809777
   0.53830992  0.23087927  0.16213347
  -0.00144853  0.38097276  0.21819566
   0.10720954  0.02525451  0.46465290
  -0.08198843  0.20960866  0.49143198
   0.15688037  0.09950851  0.46158885
   0.16711471  0.39864582  0.75403943
   0.34366316  0.34214084  0.57922297
   0.53027527  0.43735556  0.80883523
   0.35571859  0.41022624  0.59405390
  -0.01456715  0.40392345  0.75408274
   0.22760839  0.04753696 -0.09398641
   0.19834228  0.11838646  0.87507921
   0.29524427  0.69150101  0.08691010
   0.23619548  0.86758343  0.25718278
   0.05397426  0.76530341  0.04329456
   0.42682462  0.88794391  0.20121115
   0.38188246  0.93452124  0.13955902
   0.24751753  0.97101880  0.07820319
   0.48911727  0.66705117  0.40525846
  -0.38243129  0.47211783  0.23032219
   0.15608352  0.35777919  0.55924289
   0.43575993  0.87521779  0.73584248
   0.15865275  0.58127182  0.46304972
   0.53934977  1.36415437  0.77753998
   0.46151827  0.99068370  0.64855173
   0.20102385  0.94437846  0.65221564
   0.19109514  0.76342493 -0.03169586
   0.08856561  0.80310166  1.01342310
   0.52554423 -0.05050455 -0.10352924
   0.93817766  0.22127343  0.00620767
   1.16443799  0.59703926 -0.06335097
   0.59118898  0.34801080  0.43237859
   0.04465229  0.41289122  0.17204953
   0.53206242  0.62393082  0.08893478
   0.70348108  0.20980025  0.41032591
   0.44714507  0.09198727  0.48959477
   0.59627249  0.01625754  0.56893999
   0.92473292  0.39191953  0.79286460
   0.65908146  0.30572600  0.50597687
   0.64920114  0.34058259  0.98490026
   1.20851463  0.63319700  0.51971729
   0.62292828  0.42955997  0.56274808
   0.73278301 -0.11464644  0.90655541
   0.29219206 -0.00213325  0.98880034
   0.57806800  0.59874844  0.05982813
   0.81506077  0.88157368  0.18227483
   0.06646860  0.38783067  0.28717832
   0.98647890  1.12458660  0.25894371
   0.87106531  0.89607606  0.02702776
   0.63466207  0.86613491  0.19723404
   1.07183106  0.86376118  0.20470080
   0.47743110  0.72547067  0.44213263
   0.66220180  0.57468949  0.53830993
   0.97557815  0.83261882  0.74244307
   0.56671468  1.61800263  2.07487451
   0.73659418  0.89930358  0.82726002
   0.91260058  0.85761188  0.65990009
   0.63811004  0.99613436  0.67786579
   0.88417065  0.93007554  0.97431706
   0.37246212  0.70544702  0.95617946
   7.99442692  5.96059287  0.40870067
   1.45423323 -0.46545151  1.79933078
   1.98042798  1.44725336  3.01694858
   2.86885297  3.06547529 -1.52280546
  -5.65480360 -1.50610440 -1.30155286
   4.20557083 -3.01163437  3.54721582
   0.03945488 -0.97893327 -1.09684024
  -0.59462835 -0.34478987 -1.12288612
  -0.89714851 -0.80821330 -3.33834191
  10.46172438 10.71703219  3.84376477
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.400517   -1.400753   -3.199875
    -0.000000   26.584415    1.170677
    -0.000000    0.000000   33.941458
   Si   O    H 
    32    64    10
Direct configuration=  4020
   0.07105267  0.32030033  0.02545840
   0.28354016  0.08910701  0.46979866
   0.28594103  0.48515305  0.00008594
   0.78853758 -0.22234124  0.56256232
   0.11240190 -0.28651910  0.07425603
   0.22529477 -0.03288278  0.88324079
   0.33168875  0.39228011  0.75579285
   0.41114342  0.38363279  0.72506717
   0.18537006  0.68694191  0.05103474
   0.42177577  0.62334206  0.45426853
   0.05407544  0.94936093  0.04338933
   0.26298042  0.91010484  0.18931784
   0.32697187  0.59036488  0.50229118
   0.52952231  0.87521527  0.95049260
   0.09699671  0.87701531  0.67784102
   0.25406717  0.87649591  0.71496245
   0.46786545 -0.01752956  0.91990570
   0.62031356  0.15218520  0.41032420
   0.77855207  0.49525087  0.14385968
   1.08891333  0.47175564  0.24868612
   0.55933247  0.14578359  0.46281164
   0.83397347  0.21841472  0.89040915
   0.40581679  0.39570112  0.54659229
   0.99042092  0.37518370  0.88112632
   0.43921352  0.67122141 -0.00774808
   0.53399339  0.38348130  0.51107664
   0.61303081  0.85687982  0.11978415
   0.73127553  0.45235265 -0.42034672
   0.57196666  0.60182855  0.52544719
   1.01129229  0.73015816  0.93252536
   0.52864533  0.91506348  0.70922697
   0.92788943  0.92544422  0.91081724
   0.00733407 -0.04121265  0.08678678
   0.46328724  0.18597298  0.38491321
   0.07871129  0.23712636  0.00197606
   0.36676094  0.60546591  0.37031813
   0.53927267  0.23005504  0.16204181
   0.00088812  0.38190894  0.22448907
   0.10829216  0.02861568  0.46733871
  -0.07736111  0.20969789  0.49069154
   0.16257033  0.09769866  0.45834303
   0.16067415  0.40143582  0.75497023
   0.35410752  0.34099994  0.57878432
   0.52789644  0.43961783  0.80777676
   0.35753675  0.41326530  0.59522474
  -0.00335100  0.40286676  0.75486381
   0.22689832  0.04785345 -0.09085411
   0.20282711  0.11672102  0.87573062
   0.29609741  0.69277415  0.08171173
   0.23636066  0.87074543  0.25332280
   0.04900057  0.76722676  0.04357691
   0.43210785  0.88458109  0.20049646
   0.37916648  0.93103306  0.13864609
   0.24745183  0.96915023  0.07788623
   0.48498090  0.66246746  0.40446602
  -0.38083820  0.46809359  0.22903213
   0.15407691  0.36123524  0.55548113
   0.43080062  0.87279142  0.73720803
   0.17303091  0.58000629  0.46399141
   0.53456790  1.36647643  0.77568740
   0.46493866  0.99520619  0.64771599
   0.20614524  0.94462546  0.65215751
   0.19819375  0.76174753 -0.03438706
   0.08423262  0.80621635  1.01213744
   0.52407927 -0.04849484 -0.10252243
   0.93838639  0.22010464  0.00230117
   1.16492988  0.59910915 -0.06522932
   0.59047211  0.34832069  0.43525373
   0.04713144  0.41960448  0.16098894
   0.53778760  0.62723977  0.08212168
   0.70279417  0.21442512  0.41404634
   0.45142819  0.09148755  0.49184644
   0.59683967  0.01403685  0.56894304
   0.92353955  0.39106265  0.79088919
   0.66170380  0.30484615  0.50384104
   0.65206254  0.34209461  0.98824622
   1.21790834  0.63459210  0.52060713
   0.62431404  0.43116482  0.56014056
   0.73888914 -0.11630937  0.90399274
   0.29329175 -0.00204539  0.98974483
   0.57541637  0.60953041  0.06577891
   0.81561010  0.88191501  0.18441109
   0.06367480  0.38616659  0.28763488
   0.98971095  1.12569059  0.25828573
   0.86886816  0.89153511  0.02190805
   0.63344096  0.86621723  0.19516923
   1.06549187  0.86465186  0.20238939
   0.48096414  0.72784024  0.44227287
   0.66227987  0.57996011  0.53876687
   0.97323713  0.83370169  0.74323585
   0.56946650  1.61026963  2.07539597
   0.73151189  0.89978170  0.83235324
   0.91606229  0.86081479  0.65934775
   0.62788819  0.99548005  0.67769388
   0.88169880  0.92668928  0.97103178
   0.37225298  0.70663707  0.96363242
   8.03075132  5.96715860  0.41605346
   1.44758281 -0.46473425  1.80115384
   1.96196718  1.49484889  3.00522124
   2.92111358  3.07030524 -1.55805878
  -5.60923330 -1.49983965 -1.33127109
   4.21661844 -3.01666953  3.55231916
   0.12012074 -0.99399691 -1.06847894
  -0.47253422 -0.35051611 -1.08162008
  -0.87196720 -0.84723041 -3.31166148
  10.43692568 10.81676825  3.79163367
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.412257   -1.347947   -3.192505
    -0.000000   26.619685    1.180223
    -0.000000    0.000000   34.105536
   Si   O    H 
    32    64    10
Direct configuration=  4021
   0.07338165  0.31796743  0.02547610
   0.27738081  0.08900941  0.47116667
   0.27979865  0.48352901 -0.00069193
   0.78946664 -0.22262495  0.56399870
   0.10987810 -0.28817835  0.07197532
   0.22448333 -0.03218005  0.88363741
   0.33566503  0.39102008  0.75625239
   0.40904954  0.38337241  0.72852873
   0.17912520  0.68849295  0.05146641
   0.41878423  0.62196511  0.45674511
   0.05242779  0.94798536  0.04134095
   0.25819367  0.91216853  0.18667433
   0.32691354  0.58951875  0.50212348
   0.53037679  0.87589076  0.95205265
   0.10331808  0.87741908  0.67920076
   0.24993502  0.87356728  0.71469618
   0.46056413 -0.01712503  0.91931346
   0.61336815  0.14748388  0.41388891
   0.77725380  0.49494335  0.14606007
   1.08979470  0.46930448  0.25007107
   0.56343796  0.14445503  0.45724608
   0.83634886  0.21862833  0.89365402
   0.40888831  0.39545006  0.54702968
   0.99049300  0.37433386  0.88352957
   0.43062835  0.67031997 -0.01086419
   0.52143004  0.37990947  0.50947917
   0.61300609  0.85761344  0.12015726
   0.72938156  0.45442413 -0.41809009
   0.56315469  0.60112010  0.52124981
   1.01963554  0.73137341  0.93736632
   0.53038946  0.91321258  0.71223827
   0.93547885  0.92615085  0.91188342
   0.00922614 -0.04020816  0.08898635
   0.46042748  0.18719735  0.38526703
   0.07289739  0.24186276 -0.00033806
   0.37731570  0.60824272  0.37219479
   0.54021997  0.22931202  0.16192021
   0.00496672  0.38312722  0.23177464
   0.11184753  0.03367596  0.47056186
  -0.07516394  0.20944101  0.48942865
   0.16430181  0.09445293  0.45479172
   0.15709789  0.40380777  0.75616395
   0.36484920  0.33949077  0.57721727
   0.52306367  0.44316575  0.80571306
   0.35482772  0.41596496  0.59587021
   0.00618829  0.40160024  0.75641874
   0.22833737  0.04594331 -0.08827436
   0.20707094  0.11670619  0.87663200
   0.30492928  0.69454813  0.07877944
   0.23708294  0.87302676  0.24951733
   0.04845672  0.76723039  0.04460183
   0.43670887  0.88160454  0.19986052
   0.37747270  0.92742942  0.13810994
   0.25045226  0.96712182  0.07792772
   0.47791145  0.65904454  0.40294563
  -0.37977121  0.46417203  0.22809127
   0.15575702  0.36517837  0.55265955
   0.42269174  0.87251317  0.73634441
   0.18673024  0.57945981  0.46476897
   0.52915528  1.36758874  0.77337319
   0.46820685  0.99989508  0.64707750
   0.21400089  0.94400104  0.65069513
   0.20561900  0.75980739 -0.03712126
   0.07858806  0.80899481  1.01106142
   0.52424400 -0.04789809 -0.10202197
   0.93679185  0.21731700 -0.00236537
   1.16617719  0.60110040 -0.06809641
   0.59027681  0.34934498  0.43970816
   0.04923448  0.42608018  0.15105309
   0.54354033  0.63025544  0.07645950
   0.70419122  0.21883590  0.41765127
   0.45348927  0.09411639  0.49182301
   0.60003444  0.01186044  0.56768365
   0.92252028  0.39063805  0.78817174
   0.66359989  0.30590654  0.50134708
   0.65457701  0.34376271  0.99122622
   1.22686674  0.63588772  0.52083587
   0.62651693  0.43292225  0.55847336
   0.74910154 -0.11684274  0.90140074
   0.29216309 -0.00211028  0.99140805
   0.57359704  0.61962625  0.07134757
   0.81781864  0.88176746  0.18673321
   0.05939260  0.38458936  0.28652944
   0.99241220  1.12680521  0.25769668
   0.87012571  0.88899698  0.01845931
   0.63268824  0.86645497  0.19216787
   1.05747523  0.86618863  0.19904948
   0.48495560  0.72855936  0.44189719
   0.66623598  0.58463251  0.53973964
   0.97044376  0.83423757  0.74397619
   0.57238756  1.60349107  2.07615915
   0.73011616  0.90037054  0.83927021
   0.92110294  0.86356801  0.65887046
   0.61465100  0.99427691  0.67793966
   0.87522434  0.92168071  0.96738297
   0.37133849  0.70758109  0.97120117
   8.06989171  5.96044947  0.41678734
   1.42425119 -0.51016610  1.77324075
   2.01037944  1.52978876  2.99609561
   2.96243668  3.08709930 -1.58225678
  -5.57294126 -1.47280443 -1.34352229
   4.20854554 -3.02071200  3.56658258
   0.13751347 -1.01194847 -1.02998580
  -0.35308673 -0.35668518 -1.02970744
  -0.85816464 -0.85240604 -3.29269847
  10.39508480 10.89611386  3.74382658
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.421705   -1.296562   -3.185281
    -0.000000   26.655215    1.190350
    -0.000000    0.000000   34.266829
   Si   O    H 
    32    64    10
Direct configuration=  4022
   0.07688779  0.31643822  0.02564336
   0.28055108  0.08795294  0.47323554
   0.27309228  0.48187238 -0.00207868
   0.79152492 -0.22242791  0.56596942
   0.10321059 -0.28810461  0.07034699
   0.22402371 -0.03184973  0.88420580
   0.33382689  0.38930433  0.75617605
   0.40905004  0.38300915  0.73103912
   0.17592580  0.68952935  0.05051155
   0.41558015  0.62155202  0.45979718
   0.05051061  0.94616631  0.03891698
   0.25463883  0.91421257  0.18381464
   0.32853198  0.58837703  0.50218930
   0.53078335  0.87739185  0.95313591
   0.10915802  0.87861575  0.67967439
   0.24526676  0.87072995  0.71398719
   0.45235594 -0.01664571  0.91902723
   0.61052386  0.14421531  0.41490903
   0.77669086  0.49464178  0.14786290
   1.09154530  0.46791146  0.25150250
   0.56182246  0.14242870  0.45382851
   0.83931583  0.21928735  0.89682935
   0.41663589  0.39514870  0.54615389
   0.99076083  0.37329544  0.88502719
   0.42425787  0.66847443 -0.01323969
   0.50760016  0.37669496  0.50965465
   0.61307707  0.85806937  0.12065922
   0.72555510  0.45548636 -0.41667118
   0.55616296  0.60053413  0.51763079
   1.02720951  0.73281549  0.94223417
   0.52761986  0.91155961  0.71460073
   0.94059270  0.92629580  0.91154298
   0.00994447 -0.04000999  0.09061000
   0.45984362  0.18689694  0.38623716
   0.06319113  0.24610693 -0.00229554
   0.38989851  0.61118403  0.37342362
   0.54075968  0.22874712  0.16170195
   0.00870702  0.38423664  0.23582300
   0.11694387  0.04062839  0.47359946
  -0.07446387  0.20890258  0.48783043
   0.15836114  0.09159605  0.45100779
   0.15926141  0.40549062  0.75726396
   0.37531392  0.33624695  0.57430224
   0.51871614  0.44533373  0.80317506
   0.34851619  0.41908484  0.59701054
   0.01184618  0.40024769  0.75893881
   0.23055823  0.04342747 -0.08580829
   0.21067332  0.11806788  0.87736181
   0.31428388  0.69570449  0.07588914
   0.23809973  0.87444128  0.24584536
   0.05107033  0.76682896  0.04472468
   0.43543413  0.87979987  0.19924287
   0.37705432  0.92359337  0.13794361
   0.25541431  0.96483894  0.07867087
   0.46725059  0.65696011  0.40133116
  -0.37958956  0.46042683  0.22785676
   0.16067661  0.36925131  0.55027364
   0.41691470  0.87476058  0.73551881
   0.19913449  0.57942076  0.46552013
   0.52401647  1.36908975  0.77202610
   0.47206446  1.00254240  0.64882882
   0.22161579  0.94228436  0.64863128
   0.21221763  0.75813522 -0.03940842
   0.07227797  0.81048060  1.01097822
   0.52200579 -0.04789977 -0.10091735
   0.93634931  0.21315995 -0.00711023
   1.16814630  0.60294354 -0.07097507
   0.59076570  0.35042046  0.44467772
   0.04775513  0.43083745  0.14276736
   0.55027286  0.63299329  0.07220525
   0.70300300  0.22049810  0.42193337
   0.45046477  0.09863499  0.48937884
   0.60468683  0.01016732  0.56479118
   0.92097291  0.39030907  0.78571105
   0.66350356  0.30877829  0.49856888
   0.65699986  0.34561999  0.99384447
   1.23495010  0.63762745  0.52015548
   0.62773624  0.43449933  0.55725911
   0.76358542 -0.11711673  0.89953834
   0.28858190 -0.00324737  0.99332611
   0.57258567  0.62919478  0.07669996
   0.82271684  0.88096860  0.18898978
   0.05550155  0.38257068  0.28654181
   0.99457924  1.12791745  0.25705417
   0.87202443  0.88671872  0.01620750
   0.63383095  0.86689547  0.18828567
   1.04757298  0.86822726  0.19568800
   0.48926176  0.72656208  0.44075735
   0.66891213  0.58975344  0.53976687
   0.96925158  0.83469465  0.74489157
   0.57527446  1.59783717  2.07708119
   0.73410708  0.90121976  0.84687566
   0.92763864  0.86515708  0.65871567
   0.60079228  0.99314404  0.67876860
   0.86879082  0.91704916  0.96488393
   0.36586036  0.70994109  0.97684669
   8.11458213  5.94321926  0.41711702
   1.44927754 -0.50236410  1.74553200
   2.05486583  1.56518265  2.99745500
   2.99867900  3.09679985 -1.59164560
  -5.55430494 -1.45689394 -1.31993682
   4.19152011 -3.03436936  3.59669860
   0.17333018 -1.02706570 -1.00890207
  -0.22873033 -0.36081801 -0.98618287
  -0.84788553 -0.84775592 -3.28089550
  10.40939869 10.95542239  3.69121641
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.429264   -1.246580   -3.179173
    -0.000000   26.690045    1.200345
    -0.000000    0.000000   34.424836
   Si   O    H 
    32    64    10
Direct configuration=  4023
   0.08072785  0.31524705  0.02584332
   0.29005154  0.08652903  0.47545433
   0.26719732  0.47993559 -0.00400945
   0.79413696 -0.22216993  0.56829738
   0.09449663 -0.28879177  0.06976936
   0.22340910 -0.03200513  0.88500598
   0.32412638  0.38822668  0.75634010
   0.41139759  0.38172512  0.73193139
   0.17907078  0.69067964  0.04973538
   0.41271943  0.62263187  0.46126722
   0.04861675  0.94403537  0.03600133
   0.25217911  0.91599050  0.18093141
   0.33023031  0.58650466  0.50280554
   0.53076132  0.87971547  0.95380792
   0.11859530  0.88077081  0.67937953
   0.23850116  0.86808448  0.71305224
   0.44460872 -0.01626394  0.91886821
   0.61087715  0.14204344  0.41335509
   0.77634561  0.49447758  0.14899239
   1.09385361  0.46731620  0.25305080
   0.55386246  0.14029024  0.45292844
   0.84149001  0.21992383  0.89946548
   0.42654404  0.39391195  0.54525630
   0.99070267  0.37285149  0.88557976
   0.42044366  0.66622299 -0.01465222
   0.49736675  0.37435630  0.51085534
   0.61285080  0.85855844  0.12113909
   0.71982486  0.45577131 -0.41581815
   0.55287280  0.59970556  0.51552595
   1.03340758  0.73377419  0.94669924
   0.52928398  0.91088090  0.71615781
   0.94548143  0.92643406  0.91036867
   0.01011335 -0.04017913  0.09235943
   0.46131807  0.18476730  0.38782829
   0.04495864  0.24901245 -0.00346586
   0.40145548  0.61319533  0.37511962
   0.54129701  0.22808697  0.16155105
   0.01127737  0.38334706  0.23946417
   0.12260595  0.04896172  0.47456775
  -0.07520622  0.20814119  0.48573795
   0.14710858  0.08866060  0.44766040
   0.16804793  0.40684652  0.75788122
   0.38506461  0.33559009  0.57047491
   0.51491652  0.44771603  0.79946996
   0.33965140  0.42167891  0.59857332
   0.01367594  0.39882876  0.76264964
   0.23060516  0.04100608 -0.08250977
   0.21354951  0.12022787  0.87521988
   0.31764982  0.69566969  0.07120611
   0.23977802  0.87497254  0.24221181
   0.05187390  0.77008879  0.04351722
   0.42883375  0.87909117  0.19838032
   0.37988782  0.91957999  0.13831624
   0.26015010  0.96290724  0.07903291
   0.45709896  0.65571930  0.40049202
  -0.38079688  0.45698497  0.22791647
   0.16840294  0.37291191  0.54872952
   0.40787593  0.87463397  0.73627868
   0.21108262  0.58040494  0.46629307
   0.52356477  1.37121878  0.77222704
   0.48200120  1.00453062  0.65216794
   0.22745497  0.93872303  0.64682053
   0.21530525  0.75785000 -0.04158065
   0.06670382  0.81163580  1.01137704
   0.51803427 -0.04856448 -0.09926472
   0.94474953  0.21019144 -0.01053014
   1.17277584  0.60556633 -0.07410465
   0.59271197  0.35165821  0.44963534
   0.04474398  0.43472227  0.13513935
   0.55808365  0.63504290  0.06860523
   0.70058307  0.21979527  0.42653084
   0.44377349  0.10423475  0.48535389
   0.60995943  0.00829056  0.56153725
   0.92092742  0.39013261  0.78401377
   0.66191698  0.31275373  0.49563192
   0.65796168  0.34733279  0.99618010
   1.24267758  0.63869000  0.51909036
   0.62597892  0.43486227  0.55620648
   0.77684439 -0.11913148  0.89815696
   0.28460998 -0.00439529  0.99473501
   0.57161765  0.63780204  0.08090633
   0.82882719  0.87954529  0.19099442
   0.05249074  0.38123792  0.28595795
   0.99643162  1.12881107  0.25614180
   0.87498692  0.88339386  0.01495629
   0.63646269  0.86742202  0.18427692
   1.03655601  0.87071306  0.19288593
   0.49186406  0.72272345  0.44011762
   0.66666974  0.59519574  0.53864270
   0.96878710  0.83515215  0.74585254
   0.57904114  1.59437288  2.07725654
   0.74186459  0.90286784  0.85392132
   0.93210881  0.86517586  0.65857238
   0.58089058  0.99057011  0.67945178
   0.86295085  0.91516182  0.96433671
   0.36070136  0.71206161  0.98158308
   8.14735151  5.95439904  0.42705839
   1.51965325 -0.46474324  1.75500303
   2.00971409  1.60314141  3.01510472
   3.06351445  3.07628458 -1.57669126
  -5.55615787 -1.46889105 -1.29497581
   4.21536640 -3.05078085  3.64215301
   0.19593709 -1.04735289 -0.99997103
  -0.14337478 -0.37698018 -0.92964386
  -0.82913723 -0.84056427 -3.22611630
  10.32381718 11.04684725  3.60463433
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.436880   -1.198515   -3.172448
    -0.000000   26.724442    1.210161
    -0.000000    0.000000   34.580566
   Si   O    H 
    32    64    10
Direct configuration=  4024
   0.08396376  0.31386076  0.02568286
   0.29979257  0.08558874  0.47710614
   0.26091956  0.47805346 -0.00615260
   0.79779064 -0.22159866  0.57095950
   0.09230982 -0.29014277  0.06957696
   0.22327859 -0.03151626  0.88624755
   0.31422506  0.38811376  0.75636605
   0.41492730  0.38059871  0.73271785
   0.18328117  0.69430988  0.05044952
   0.41026351  0.62499438  0.46105864
   0.04654701  0.94161375  0.03244300
   0.25006416  0.91791357  0.17823070
   0.33194761  0.58464516  0.50321751
   0.53049942  0.88232394  0.95423809
   0.12855163  0.88290509  0.67880600
   0.23254928  0.86572033  0.71216487
   0.43801886 -0.01630383  0.91928205
   0.61284921  0.14089009  0.41009510
   0.77625489  0.49456065  0.14983163
   1.09715941  0.46740513  0.25476297
   0.54226805  0.13845441  0.45347713
   0.84290743  0.22071628  0.90109889
   0.43604548  0.39103205  0.54511955
   0.99060623  0.37249703  0.88549859
   0.41670475  0.66393560 -0.01570202
   0.49061284  0.37265793  0.51316802
   0.61277511  0.85896944  0.12120869
   0.71193671  0.45515331 -0.41520993
   0.55323290  0.59928886  0.51472957
   1.03791218  0.73421998  0.95034292
   0.52657283  0.90884473  0.71813764
   0.95274060  0.92699165  0.90923678
   0.01017717 -0.04084989  0.09419030
   0.46415540  0.18146942  0.38996990
   0.02448787  0.25017082 -0.00437155
   0.40491109  0.61038054  0.37553405
   0.54096126  0.22703767  0.16140551
   0.01416401  0.38068349  0.24457416
   0.12946328  0.05579033  0.47576693
  -0.07733468  0.20714786  0.48340197
   0.12183712  0.08504459  0.44051670
   0.17708861  0.40776076  0.75823074
   0.39477950  0.34138489  0.56523393
   0.51264054  0.45061194  0.79585568
   0.32843723  0.42241192  0.60017526
   0.01403958  0.39750251  0.76669242
   0.22728568  0.03926664 -0.07960506
   0.21686510  0.12114935  0.87358891
   0.31626447  0.69511369  0.06559638
   0.24086615  0.87476727  0.23847428
   0.05169870  0.77478240  0.04202344
   0.42119637  0.87893637  0.19750179
   0.38535829  0.91508769  0.13919712
   0.26306934  0.96093582  0.07940831
   0.45448993  0.65847976  0.40190036
  -0.38385653  0.45433154  0.22806065
   0.17914500  0.37640499  0.54793315
   0.40340501  0.87421428  0.73756098
   0.22221934  0.58176828  0.46694934
   0.52478910  1.37257494  0.77281588
   0.49356370  1.00638418  0.65586754
   0.22905961  0.93271849  0.64671128
   0.21311504  0.75875834 -0.04396885
   0.06264416  0.81424641  1.01121653
   0.51492696 -0.04964410 -0.09819500
   0.95871220  0.20919371 -0.01201297
   1.17811222  0.60808284 -0.07736338
   0.59603555  0.35259046  0.45302809
   0.04152855  0.43853857  0.12760053
   0.56662846  0.63621800  0.06627915
   0.69767111  0.21686182  0.43106416
   0.44141695  0.10956875  0.48192972
   0.61450170  0.00654988  0.55869718
   0.92253672  0.38967028  0.78336258
   0.66031524  0.31671278  0.49282512
   0.65801912  0.34917607  0.99800050
   1.24975792  0.63976185  0.51743174
   0.62144203  0.43441572  0.55511802
   0.78796793 -0.12389538  0.89957971
   0.28007652 -0.00548336  0.99501885
   0.56957583  0.64458938  0.08430536
   0.83289773  0.87766355  0.19221120
   0.04983212  0.38039448  0.28407443
   0.99809520  1.12953661  0.25532141
   0.87956689  0.87813206  0.01518709
   0.63820845  0.86855379  0.18152963
   1.02704060  0.87328786  0.19082060
   0.49182779  0.71818210  0.44055627
   0.65963646  0.60087285  0.53640160
   0.96984455  0.83582181  0.74661294
   0.58219647  1.59391119  2.07693636
   0.74856448  0.90580047  0.85786536
   0.93379055  0.86386482  0.65807795
   0.56318040  0.99081035  0.67819603
   0.85462364  0.91568762  0.96414913
   0.35859756  0.71239334  0.98761744
   8.17889272  5.94644640  0.43901608
   1.59545273 -0.44642254  1.78427158
   1.87436713  1.58913646  3.01818750
   3.31434338  3.10995718 -1.50303508
  -5.60329910 -1.49315497 -1.28568794
   4.27622014 -3.02934150  3.65721145
   0.21016119 -1.07147982 -1.00081185
  -0.08855049 -0.41038798 -0.88573604
  -0.80609882 -0.83153571 -3.17233446
  10.24947030 11.12915477  3.53174472
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.444183   -1.151982   -3.164820
    -0.000000   26.758690    1.218549
    -0.000000    0.000000   34.734194
   Si   O    H 
    32    64    10
Direct configuration=  4025
   0.08614505  0.31229649  0.02525706
   0.30558088  0.08971105  0.48207286
   0.25447647  0.47624837 -0.00831822
   0.80133057 -0.22110811  0.57359510
   0.09224337 -0.29162508  0.06929863
   0.22404539 -0.02999365  0.88800731
   0.31289615  0.38679634  0.75675435
   0.41548364  0.37908039  0.73472851
   0.18546134  0.69840702  0.05078375
   0.40698507  0.62791967  0.45935274
   0.04358498  0.93896111  0.02852143
   0.24765211  0.91986240  0.17603547
   0.33478654  0.58278387  0.50339067
   0.53010241  0.88456687  0.95471750
   0.14386456  0.88469103  0.67894669
   0.22529427  0.86457495  0.70997769
   0.43149520 -0.01658303  0.91986272
   0.61401035  0.14005533  0.40814496
   0.77640614  0.49438270  0.15044725
   1.10017346  0.46795139  0.25615882
   0.53819134  0.13772005  0.45331513
   0.84326529  0.22133200  0.90159401
   0.44266720  0.39066783  0.54558690
   0.99051430  0.37257219  0.88510619
   0.41381031  0.66212117 -0.01628352
   0.48814786  0.37043763  0.51611285
   0.61268164  0.85955589  0.12064783
   0.70254039  0.45350356 -0.41504122
   0.55417156  0.59955161  0.51434828
   1.04028063  0.73465572  0.95296950
   0.52044264  0.90488456  0.72068875
   0.96432710  0.92838374  0.90908216
   0.01179059 -0.04177618  0.09518500
   0.46263770  0.17949145  0.38999379
   0.01094354  0.25358194 -0.00453547
   0.40411578  0.60480251  0.37604434
   0.54097671  0.22591398  0.16138724
   0.01596733  0.37738304  0.24750167
   0.14526090  0.06077667  0.48095703
  -0.08084572  0.20587896  0.48101340
   0.10443505  0.08524206  0.43173796
   0.18034277  0.40882853  0.75806589
   0.40039252  0.34589552  0.56053409
   0.50988482  0.45481990  0.79192658
   0.31767515  0.42248312  0.60136871
   0.01597457  0.39626568  0.77013790
   0.22174149  0.03773000 -0.07706879
   0.21805801  0.12303690  0.86901297
   0.31006368  0.69478444  0.06062051
   0.24271172  0.87413595  0.23447629
   0.05433633  0.77438813  0.04281839
   0.41485432  0.87889858  0.19679247
   0.39218577  0.91073127  0.13979895
   0.26642183  0.95846848  0.08019007
   0.45198714  0.65884449  0.40144670
  -0.38721179  0.45223682  0.22848536
   0.19165235  0.37958789  0.54768330
   0.40134315  0.87349501  0.73923506
   0.23373552  0.58317757  0.46741060
   0.52384603  1.37319007  0.77297408
   0.49644521  1.01014362  0.65609187
   0.22796355  0.92448347  0.64912917
   0.20857184  0.76068724 -0.04711202
   0.05776074  0.82007329  1.00954001
   0.51352815 -0.05030714 -0.09841521
   0.97015214  0.20592690 -0.01202457
   1.18272994  0.61046525 -0.08057106
   0.60164330  0.35277690  0.45494242
   0.03850170  0.44153458  0.12123335
   0.57552777  0.63547424  0.06513275
   0.69624742  0.21321727  0.43495566
   0.42304373  0.10985912  0.48097568
   0.61775784  0.00558876  0.55658841
   0.92290468  0.38857807  0.78421593
   0.65830086  0.32028315  0.48987462
   0.65834306  0.35074658  0.99970213
   1.25740013  0.64186203  0.51582115
   0.61851733  0.43407640  0.55426038
   0.79507356 -0.13039737  0.90266662
   0.27355307 -0.00720926  0.99471185
   0.56767363  0.64840283  0.08665160
   0.83336924  0.87551116  0.19259864
   0.04876352  0.37959412  0.28379637
   0.99894986  1.12985616  0.25448846
   0.88844506  0.87127899  0.01671159
   0.63849725  0.86995948  0.18095347
   1.02149188  0.87632730  0.18919557
   0.49265421  0.71757618  0.44456915
   0.65215527  0.60638075  0.53414290
   0.97236763  0.83682401  0.74713692
   0.58454233  1.59761878  2.07627077
   0.75209752  0.90941177  0.85895986
   0.93176870  0.86163902  0.65752066
   0.55659710  0.99251421  0.67745294
   0.84444506  0.91864193  0.96414725
   0.35921252  0.71122065  0.99445779
   8.21481362  5.93805628  0.45072565
   1.64970707 -0.46062757  1.81909696
   1.77612065  1.59642449  3.03521289
   3.43417595  3.05123585 -1.48782982
  -5.66597411 -1.47075310 -1.29361635
   4.34881346 -2.97789983  3.65608630
   0.23005201 -1.08253481 -1.00677804
  -0.00484586 -0.41818775 -0.85415984
  -0.76311885 -0.85247475 -3.08429660
  10.30144063 11.15294880  3.38176382
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.452216   -1.106424   -3.156933
    -0.000000   26.792828    1.225556
    -0.000000    0.000000   34.885606
   Si   O    H 
    32    64    10
Direct configuration=  4026
   0.08772904  0.31084481  0.02489623
   0.30758838  0.09420790  0.48543499
   0.24863578  0.47451035 -0.01016898
   0.80527313 -0.22094031  0.57605438
   0.09524070 -0.29271337  0.06945356
   0.22610635 -0.02774505  0.89000523
   0.31813810  0.38530993  0.75745174
   0.41430458  0.37961716  0.73699209
   0.18403145  0.70233548  0.05018229
   0.40231156  0.63014735  0.45660665
   0.03728256  0.93562476  0.02492713
   0.24565612  0.92166152  0.17431183
   0.33814480  0.58130641  0.50279255
   0.52900684  0.88633062  0.95543663
   0.15384766  0.88808762  0.67695448
   0.22924604  0.86348232  0.70986363
   0.42546666 -0.01716820  0.92046955
   0.61104870  0.13937387  0.40857930
   0.77219991  0.49316481  0.15091636
   1.10415293  0.46953685  0.25718157
   0.53947853  0.13683610  0.45149863
   0.84185627  0.22171870  0.90092339
   0.44894141  0.40066896  0.54581945
   0.98981409  0.37259370  0.88458245
   0.41247058  0.66090001 -0.01592774
   0.49009762  0.36746975  0.51882853
   0.61212648  0.85995330  0.11940980
   0.69114116  0.45109074 -0.41551925
   0.55090507  0.60042639  0.51327200
   1.04023018  0.73568445  0.95490907
   0.51183641  0.89971604  0.72337735
   0.97478312  0.92952999  0.90945177
   0.01491572 -0.04299147  0.09513687
   0.46045922  0.17855341  0.38881382
   0.00186253  0.25831099 -0.00437715
   0.40161149  0.59864939  0.37786509
   0.54169053  0.22475222  0.16109156
   0.01569379  0.37252542  0.24764345
   0.15363930  0.06197765  0.48716430
  -0.08397231  0.20473358  0.47921625
   0.09243735  0.08497743  0.42354613
   0.18080140  0.41041986  0.75728248
   0.39587723  0.33569580  0.55942298
   0.50657433  0.45909163  0.78771587
   0.31369736  0.42297587  0.60211913
   0.02084036  0.39559826  0.77246064
   0.21620492  0.03659532 -0.07517322
   0.22126462  0.12468298  0.86809042
   0.30545668  0.69439803  0.05842905
   0.24537133  0.87338793  0.23014463
   0.05927142  0.77395931  0.04341654
   0.40889154  0.87893401  0.19630231
   0.39792898  0.90699713  0.13993148
   0.27036124  0.95536322  0.08061668
   0.44854600  0.65878859  0.40112549
  -0.39112917  0.45105426  0.22905219
   0.20307294  0.38173169  0.54653623
   0.39816826  0.87213245  0.74117474
   0.24677795  0.58402921  0.46749868
   0.52107335  1.37339768  0.77297256
   0.49318181  1.01393381  0.65494954
   0.22892492  0.91773708  0.65327048
   0.20347151  0.76317454 -0.05107759
   0.05077226  0.82480568  1.00850859
   0.51212401 -0.05047579 -0.09927724
   0.98174134  0.20113621 -0.01133427
   1.18609180  0.61272681 -0.08367678
   0.60773541  0.35270108  0.45604813
   0.03624283  0.44475376  0.11635050
   0.58279248  0.63463055  0.06420935
   0.69520189  0.21006016  0.43824795
   0.41271346  0.11110454  0.48035789
   0.62054877  0.00476524  0.55530986
   0.92143599  0.38690430  0.78652351
   0.65641007  0.32300387  0.48717820
   0.65779683  0.35229553  1.00130951
   1.26638609  0.64445366  0.51488546
   0.61567016  0.43304236  0.55330251
   0.80379267 -0.13551925  0.90619279
   0.26645423 -0.00852128  0.99377194
   0.56582520  0.64960050  0.08800954
   0.83051059  0.87307393  0.19239226
   0.05016884  0.37797187  0.28654004
   0.99892072  1.12992144  0.25330008
   0.90065704  0.86548982  0.01842260
   0.63887241  0.87172112  0.18209411
   1.02160267  0.88012337  0.18826662
   0.49295833  0.71723790  0.44930764
   0.65195287  0.61161180  0.53373878
   0.97572278  0.83799831  0.74765417
   0.58456445  1.60434383  2.07558475
   0.75452814  0.91211751  0.85823346
   0.92507727  0.85929909  0.65603970
   0.55289075  0.99604763  0.67562543
   0.83769302  0.92066079  0.96498666
   0.36095112  0.70908859  1.00007688
   8.21538696  5.97897538  0.46171078
   1.66190103 -0.49320739  1.84285148
   1.76628355  1.59863804  3.06710050
   3.59421603  2.97704022 -1.46553706
  -5.71729041 -1.49014467 -1.28864019
   4.43182831 -2.98803148  3.65474243
   0.25614928 -1.09046057 -1.01837370
   0.16730206 -0.38743028 -0.84715918
  -0.74904409 -0.89374737 -3.05200403
  10.34193562 11.16264431  3.26154690
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.456641   -1.062563   -3.149037
    -0.000000   26.820809    1.232350
    -0.000000    0.000000   35.030004
   Si   O    H 
    32    64    10
Direct configuration=  4027
   0.08899525  0.30959670  0.02465554
   0.30758923  0.09783742  0.48855402
   0.24315373  0.47282635 -0.01201411
   0.80870960 -0.22087384  0.57817993
   0.09518667 -0.29346743  0.07029996
   0.22797949 -0.02531212  0.89198838
   0.32099749  0.38400618  0.75841648
   0.41509822  0.38003303  0.73836656
   0.18528199  0.70570502  0.04906154
   0.39833228  0.63247095  0.45401139
   0.03119772  0.93261235  0.02173050
   0.24377659  0.92336951  0.17294645
   0.34172601  0.57991873  0.50293980
   0.52808882  0.88822276  0.95590999
   0.15957914  0.89165181  0.67422081
   0.23532689  0.86166134  0.71091831
   0.42020042 -0.01759779  0.92108410
   0.60840133  0.13893042  0.40885942
   0.76835690  0.49232058  0.15128215
   1.10807194  0.47095702  0.25812063
   0.54030812  0.13615350  0.45021471
   0.84058327  0.22202036  0.90034847
   0.45267157  0.41040007  0.54680268
   0.98913624  0.37268829  0.88398714
   0.41086393  0.65970310 -0.01555692
   0.49318701  0.36383059  0.52037057
   0.61186684  0.86029391  0.11855377
   0.68298401  0.44974192 -0.41494686
   0.54497921  0.60091445  0.51160580
   1.04107922  0.73669243  0.95662374
   0.50362784  0.89509443  0.72578949
   0.98376800  0.93046144  0.90968204
   0.01780121 -0.04411811  0.09503215
   0.45852527  0.17755262  0.38797638
  -0.00787188  0.26188939 -0.00450323
   0.40108797  0.59380269  0.37993229
   0.54225304  0.22393789  0.16095593
   0.01669568  0.36785828  0.24637654
   0.16087266  0.06302511  0.49265454
  -0.08723595  0.20360638  0.47738511
   0.08152234  0.08456322  0.41647816
   0.18132172  0.41174280  0.75648115
   0.39287844  0.32678422  0.55847205
   0.50388492  0.46280458  0.78415511
   0.31057199  0.42328949  0.60282076
   0.02553427  0.39501055  0.77398768
   0.21098084  0.03551225 -0.07375715
   0.22397295  0.12630558  0.86728048
   0.30246465  0.69362588  0.05646097
   0.24787749  0.87298935  0.22608835
   0.06292139  0.77460557  0.04346489
   0.40223172  0.87915556  0.19487698
   0.40339495  0.90344039  0.14073141
   0.27464893  0.95268435  0.08103855
   0.44357640  0.65785316  0.40049284
  -0.39440188  0.44993879  0.22944935
   0.21313026  0.38344915  0.54547291
   0.39539520  0.87111014  0.74280150
   0.25679768  0.58535297  0.46681759
   0.51943300  1.37359663  0.77335017
   0.48680128  1.02339499  0.64794143
   0.23048783  0.91218476  0.65649311
   0.19810073  0.76554197 -0.05479609
   0.04500570  0.82774438  1.00810663
   0.51052355 -0.05083977 -0.10019199
   0.99413550  0.19767002 -0.01050319
   1.18865545  0.61461670 -0.08661371
   0.61538902  0.35374244  0.45661726
   0.03439181  0.44754205  0.11219034
   0.59590606  0.65498358  0.04134935
   0.69395923  0.20735645  0.44121856
   0.40628936  0.11263046  0.47947058
   0.62320050  0.00476098  0.55473256
   0.91975332  0.38531328  0.78954090
   0.65265135  0.32437443  0.48523952
   0.65790272  0.35392557  1.00312741
   1.27475974  0.64631388  0.51394405
   0.60961035  0.43136027  0.55046006
   0.81136634 -0.13997593  0.90920550
   0.26001499 -0.00996079  0.99336243
   0.55569559  0.66154847  0.10175640
   0.82816994  0.87097012  0.19221535
   0.04945822  0.37645745  0.29048453
   0.99881630  1.13004202  0.25219001
   0.91133205  0.86017911  0.02000634
   0.63881289  0.87344657  0.18266249
   1.02203952  0.88357649  0.18736577
   0.49305422  0.71650516  0.45354847
   0.65591673  0.61654711  0.53420081
   0.97850196  0.83922088  0.74814224
   0.58630030  1.57855407  2.08427512
   0.75786526  0.91448406  0.85808029
   0.91955141  0.85719985  0.65468168
   0.56123939  0.99298805  0.67966268
   0.83186467  0.92238587  0.96571823
   0.36288255  0.70737306  1.00518850
   8.21210285  6.01593149  0.47190042
   1.67083347 -0.52204438  1.86280632
   1.75713817  1.60174639  3.09559530
   3.74603691  2.89770075 -1.45337477
  -5.76473119 -1.50821108 -1.28513738
   4.37925555 -3.00202218  3.65938377
   0.27896330 -1.09779630 -1.02902126
   0.32351374 -0.35904860 -0.84184601
  -0.73876256 -0.93179320 -3.02495988
  10.37922792 11.17134010  3.15352330
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.457580   -1.019592   -3.141226
    -0.000000   26.842832    1.238238
    -0.000000    0.000000   35.168121
   Si   O    H 
    32    64    10
Direct configuration=  4028
   0.09009677  0.30840337  0.02427479
   0.30565860  0.10083926  0.49162745
   0.23843242  0.47170664 -0.01365779
   0.81257195 -0.22066309  0.58031439
   0.09229386 -0.29403608  0.07147919
   0.22970895 -0.02301872  0.89393727
   0.32116902  0.38304845  0.75965149
   0.41726232  0.38008803  0.73879454
   0.18833304  0.70895543  0.04750173
   0.39450128  0.63461235  0.45147511
   0.02568256  0.92995184  0.01888970
   0.24218542  0.92482136  0.17166186
   0.34525721  0.57857765  0.50365677
   0.52740105  0.88994601  0.95619761
   0.16047428  0.89440359  0.67205282
   0.24195490  0.85954671  0.71243210
   0.41585098 -0.01806881  0.92169079
   0.60694885  0.13873105  0.40879374
   0.76455869  0.49158052  0.15137989
   1.11100973  0.47220753  0.25890510
   0.54007313  0.13540160  0.44917199
   0.84002312  0.22251695  0.90002108
   0.45492786  0.41947234  0.54775787
   0.98824515  0.37284136  0.88338438
   0.40926985  0.65879696 -0.01524974
   0.49590208  0.36010198  0.52145193
   0.61207284  0.86070195  0.11814815
   0.67700315  0.44909247 -0.41353444
   0.53879582  0.60121906  0.50990239
   1.04227401  0.73779550  0.95836635
   0.49616449  0.89101645  0.72784185
   0.99151923  0.93116275  0.90975568
   0.02010084 -0.04518348  0.09479225
   0.45723454  0.17649242  0.38728719
  -0.01676487  0.26331191 -0.00482097
   0.40220795  0.59045873  0.38219677
   0.54214513  0.22314506  0.16079305
   0.02014183  0.36395488  0.24587277
   0.16730995  0.06382458  0.49760173
  -0.09067385  0.20264014  0.47580912
   0.07209548  0.08389251  0.41003947
   0.18265702  0.41289334  0.75589275
   0.39056346  0.31897273  0.55733577
   0.50088500  0.46621687  0.78105502
   0.30708170  0.42349049  0.60320797
   0.03023644  0.39447427  0.77512605
   0.20656335  0.03453029 -0.07295493
   0.22641121  0.12756106  0.86679068
   0.30185918  0.69264999  0.05480721
   0.24978985  0.87283425  0.22216803
   0.06602121  0.77555233  0.04314047
   0.39651473  0.87976176  0.19286085
   0.40814839  0.89943543  0.14241690
   0.27863398  0.95054583  0.08130453
   0.43746716  0.65595577  0.39953621
  -0.39750973  0.44941119  0.22988433
   0.22247551  0.38505505  0.54459396
   0.39321730  0.87035578  0.74443953
   0.26388923  0.58712954  0.46532027
   0.51874449  1.37374402  0.77433037
   0.48275658  1.03278203  0.64170890
   0.23735857  0.90899657  0.65783640
   0.19193754  0.76762684 -0.05829753
   0.04040058  0.82918139  1.00821529
   0.50826137 -0.05119483 -0.10103195
   1.00542475  0.19610704 -0.00961688
   1.19043890  0.61685051 -0.08908278
   0.62358595  0.35706716  0.45578020
   0.03284477  0.44993310  0.10844276
   0.60715994  0.67335067  0.02096259
   0.69218164  0.20510188  0.44362220
   0.40345665  0.11453670  0.47830337
   0.62577024  0.00474947  0.55400821
   0.91909368  0.38365547  0.79291147
   0.64848641  0.32318514  0.48511920
   0.65845551  0.35569686  1.00475553
   1.28277257  0.64757696  0.51276675
   0.60248358  0.42912507  0.54648258
   0.81836733 -0.14391893  0.91179734
   0.25403979 -0.01128408  0.99314430
   0.54602467  0.67254209  0.11381627
   0.82625811  0.86927304  0.19201819
   0.04701068  0.37487694  0.29339901
   0.99839947  1.13023397  0.25121506
   0.92143349  0.85577108  0.02144741
   0.63816342  0.87532437  0.18279059
   1.02278953  0.88661296  0.18663507
   0.49304178  0.71559555  0.45720053
   0.66081644  0.62131488  0.53499165
   0.98060656  0.84011324  0.74846338
   0.58756461  1.55535541  2.09210215
   0.76120983  0.91638328  0.85829499
   0.91467626  0.85523248  0.65377069
   0.56735055  0.98960473  0.68350494
   0.82677137  0.92411933  0.96647535
   0.36458533  0.70548810  1.00969208
   8.20399266  6.05484077  0.48273237
   1.67737731 -0.54756500  1.88059128
   1.74947254  1.60325676  3.12175547
   3.88475194  2.82393221 -1.44256944
  -5.80944108 -1.52531620 -1.28161174
   4.33021597 -3.01533581  3.66481193
   0.30047636 -1.10452927 -1.03973447
   0.46445006 -0.33340117 -0.83676035
  -0.73066608 -0.96922722 -3.00158532
  10.41740685 11.17885634  3.05733370
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.460017   -0.976887   -3.134958
    -0.000000   26.864802    1.244099
    -0.000000    0.000000   35.303649
   Si   O    H 
    32    64    10
Direct configuration=  4029
   0.09113777  0.30772378  0.02392639
   0.29669455  0.10044896  0.49415779
   0.23359590  0.47072745 -0.01524540
   0.81495441 -0.22098788  0.58128174
   0.09138869 -0.29528002  0.07307596
   0.23178416 -0.02156609  0.89490687
   0.31773931  0.38211315  0.76136976
   0.42107135  0.37934850  0.73970637
   0.19254498  0.71144286  0.04675722
   0.39177228  0.63563206  0.44990497
   0.02108512  0.92779890  0.01705982
   0.24271887  0.92597879  0.17037454
   0.34782063  0.57647689  0.50426857
   0.52767632  0.89186827  0.95570277
   0.15122546  0.88827937  0.67652489
   0.24091723  0.85752203  0.71385435
   0.41093616 -0.01798496  0.92162222
   0.60636100  0.13823992  0.40879485
   0.76398710  0.49064616  0.15186952
   1.11390274  0.47346903  0.25962248
   0.53848073  0.13471293  0.44873164
   0.83866144  0.22332278  0.89885928
   0.44823401  0.42445963  0.54780182
   0.98625917  0.37225393  0.88299631
   0.40796917  0.65773863 -0.01516096
   0.49784019  0.35824252  0.52291457
   0.61203644  0.86110095  0.11822105
   0.67531537  0.44902275 -0.41127728
   0.53279806  0.60304322  0.50813234
   1.04263725  0.73916491  0.95982993
   0.48950837  0.88644335  0.72967648
   0.99703024  0.93099640  0.90963324
   0.02292536 -0.04686231  0.09415621
   0.45543694  0.17625286  0.38574786
  -0.02297916  0.26511346 -0.00405570
   0.40310513  0.58776469  0.38414630
   0.54044994  0.22189904  0.15945071
   0.02419844  0.36056294  0.24633164
   0.17662758  0.06648505  0.50397360
  -0.09328618  0.20183381  0.47460274
   0.06287154  0.08307331  0.40369352
   0.18231190  0.41503421  0.75368694
   0.38725179  0.31117395  0.55561445
   0.50136254  0.46903330  0.77874772
   0.30322488  0.42470898  0.60333902
   0.03331872  0.39396131  0.77645565
   0.20926291  0.03259787 -0.06506266
   0.22892411  0.12822226  0.86627694
   0.29820220  0.69220787  0.05294309
   0.24848789  0.87301861  0.21813672
   0.06483724  0.78057122  0.04186800
   0.38992121  0.88147274  0.18917337
   0.40863253  0.89559181  0.14528271
   0.28082229  0.94762028  0.08194054
   0.43179784  0.65475928  0.39945480
  -0.40190973  0.44944784  0.23001567
   0.23479479  0.38725717  0.54351717
   0.38777870  0.86954024  0.74593450
   0.26824021  0.58799865  0.46293883
   0.51279209  1.37570179  0.77195871
   0.48396609  1.03895325  0.63898721
   0.27657519  0.92488793  0.64906323
   0.18760420  0.76999088 -0.06157454
   0.03640959  0.82888323  1.01055196
   0.50348912 -0.05206141 -0.09967170
   1.01410511  0.19441186 -0.00910403
   1.19295292  0.61886229 -0.09071362
   0.62924254  0.35953617  0.45606704
   0.03106515  0.45263055  0.10495345
   0.61701724  0.69005988  0.00302604
   0.69137437  0.20366835  0.44529489
   0.40580590  0.11707287  0.47723213
   0.62848572  0.00418220  0.55374530
   0.92130818  0.38261348  0.79615343
   0.64552343  0.32248364  0.48444144
   0.65945089  0.35839323  1.00583567
   1.29162647  0.64901590  0.51224264
   0.60574217  0.42838541  0.54155024
   0.82540814 -0.14502322  0.91300872
   0.24754832 -0.00592701  0.99122947
   0.53769575  0.68156941  0.12349669
   0.82531760  0.86793602  0.19214780
   0.04436862  0.37278912  0.29505687
   0.99770888  1.13016485  0.25033195
   0.93003966  0.85172963  0.02138695
   0.64034734  0.87668605  0.18147530
   1.02491849  0.88890896  0.18628708
   0.49413310  0.71417087  0.46008612
   0.66514748  0.62487001  0.53602183
   0.98445424  0.84084705  0.74879735
   0.58729748  1.53643513  2.09815498
   0.76525957  0.91696868  0.85820356
   0.91211207  0.85515409  0.65397038
   0.56920890  0.99058015  0.68371613
   0.82312979  0.92439020  0.96817206
   0.36901692  0.70316443  1.01385745
   8.25436296  6.11806001  0.47432487
   1.74670425 -0.56804952  1.92278980
   1.72524239  1.59622020  3.14122351
   4.01201513  2.75580319 -1.43483628
  -5.81230314 -1.57812185 -1.25897212
   4.24028747 -3.10441318  3.65508657
   0.30493658 -1.14091730 -1.04560974
   0.56065878 -0.31063320 -0.81751192
  -0.77407461 -1.04914304 -3.05127509
  10.50504045 11.18337301  2.99978074
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.464425   -0.934262   -3.128401
    -0.000000   26.886866    1.250199
    -0.000000    0.000000   35.437354
   Si   O    H 
    32    64    10
Direct configuration=  4030
   0.09312303  0.30793515  0.02367687
   0.26457403  0.10424007  0.48790388
   0.22875333  0.47012300 -0.01689766
   0.81828148 -0.22295558  0.58094181
   0.09356007 -0.29629436  0.07418811
   0.23447538 -0.01994116  0.89648517
   0.31887678  0.38097778  0.76402817
   0.43733846  0.37523253  0.74371086
   0.19561787  0.71332418  0.04709852
   0.39064119  0.63606502  0.44959504
   0.01870324  0.92596646  0.01577102
   0.24442078  0.92681638  0.16917928
   0.35060498  0.57340969  0.50519639
   0.52835711  0.89439630  0.95448038
   0.14398570  0.88356352  0.68045710
   0.23446107  0.85467860  0.71470198
   0.40607942 -0.01775501  0.92106863
   0.60622055  0.13790845  0.40912826
   0.76625932  0.48875963  0.15220287
   1.11608514  0.47426575  0.26041705
   0.53716249  0.13412640  0.44831144
   0.83638963  0.22409048  0.89659111
   0.43875421  0.42560684  0.54697959
   0.98477061  0.37159438  0.88296492
   0.40739708  0.65703082 -0.01537342
   0.49918633  0.35988391  0.52488366
   0.61193930  0.86124412  0.11872002
   0.67384453  0.44897491 -0.40905350
   0.52672466  0.60673393  0.50579200
   1.04291467  0.74049270  0.96123703
   0.48534567  0.88199112  0.73156891
   1.00032943  0.93051789  0.90924122
   0.02652477 -0.04904342  0.09319811
   0.45262007  0.17673534  0.38345668
  -0.02791615  0.26817220 -0.00196777
   0.40414602  0.58610971  0.38570972
   0.53853698  0.22057731  0.15737379
   0.02915592  0.35787157  0.24740337
   0.19607780  0.07293212  0.50928328
  -0.09576530  0.20123522  0.47368951
   0.05061600  0.08132906  0.39687197
   0.17653032  0.41600781  0.75284116
   0.38181681  0.30321619  0.55402966
   0.50559382  0.47255553  0.77884218
   0.29853651  0.42617818  0.60319219
   0.04182016  0.39488808  0.77656316
   0.21576061  0.03193883 -0.05786281
   0.23404113  0.12927825  0.86659591
   0.29156479  0.69299979  0.05022972
   0.24740490  0.87358208  0.21362071
   0.06123906  0.78878995  0.03975894
   0.37873800  0.88304591  0.18626437
   0.40662924  0.89254275  0.14778329
   0.27924328  0.94507603  0.08194151
   0.42921288  0.65455556  0.40050930
  -0.40842664  0.45076309  0.23016082
   0.25114479  0.39003699  0.54292064
   0.38565403  0.86969001  0.74776292
   0.26538475  0.58792085  0.45868451
   0.48230595  1.38156312  0.76144317
   0.48695378  1.04341506  0.63853331
   0.30938523  0.94008950  0.64027438
   0.18395702  0.77161577 -0.06427313
   0.03469385  0.82581060  1.01498563
   0.49676945 -0.05329179 -0.09692242
   1.02243236  0.19012837 -0.00846808
   1.19508233  0.62058728 -0.09159460
   0.63330017  0.36052611  0.45774089
   0.02908313  0.45524171  0.10196017
   0.62504288  0.70508207 -0.01244047
   0.69144392  0.20334588  0.44608763
   0.40855409  0.11940185  0.47795558
   0.63222729  0.00306377  0.55332601
   0.92647962  0.38178467  0.79801350
   0.64365050  0.32279389  0.48298629
   0.65783378  0.35838284  1.00743958
   1.30305972  0.65163540  0.51196084
   0.61490117  0.42904325  0.53641977
   0.83202637 -0.14339116  0.91306092
   0.24150803 -0.00009656  0.98917908
   0.52955809  0.68926333  0.13235360
   0.82625020  0.86745116  0.19245870
   0.04248082  0.37132013  0.29561132
   0.99694519  1.13003938  0.24946115
   0.93440011  0.85002755  0.01930447
   0.64589740  0.87730234  0.17918689
   1.02763521  0.89047772  0.18655355
   0.49393188  0.71017823  0.46176234
   0.66949655  0.62822127  0.53713445
   0.99170590  0.84185094  0.74849269
   0.58959586  1.52119937  2.10518931
   0.76918442  0.91657155  0.85779057
   0.91083742  0.85662791  0.65545949
   0.56996308  0.99356787  0.68221706
   0.82168042  0.92293266  0.97128957
   0.37647093  0.69945423  1.01823604
   7.80556355  5.99089478  0.72256248
   1.82090762 -0.57987996  1.94760923
   1.62734063  1.59517241  3.14500094
   4.05182179  2.70063690 -1.42472829
  -6.00307977 -1.61373650 -1.24026136
   4.17745395 -3.20728314  3.67814159
   0.28265668 -1.16529770 -1.04974003
   0.64673658 -0.30002914 -0.82068471
  -0.81312158 -1.18008063 -3.09235380
  10.56086921 11.20906633  2.94099335
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.470364   -0.894382   -3.117420
    -0.000000   26.904005    1.254829
    -0.000000    0.000000   35.566058
   Si   O    H 
    32    64    10
Direct configuration=  4031
   0.09423383  0.30814260  0.02341945
   0.23586695  0.10802398  0.48196399
   0.22462603  0.46955771 -0.01833961
   0.82155733 -0.22487668  0.58065015
   0.09459122 -0.29742884  0.07534122
   0.23677506 -0.01822724  0.89817215
   0.31826808  0.38008755  0.76657372
   0.41833966  0.36670516  0.73359655
   0.19731498  0.71579803  0.04716139
   0.38960477  0.63649011  0.44916312
   0.01686653  0.92422473  0.01465388
   0.24617828  0.92757558  0.16819926
   0.35316425  0.57051614  0.50616398
   0.52909428  0.89666863  0.95333518
   0.13650520  0.87994283  0.68347419
   0.22967476  0.85162161  0.71583663
   0.40210286 -0.01766169  0.92082120
   0.60665123  0.13760802  0.40917341
   0.76817466  0.48696628  0.15259319
   1.11773160  0.47458942  0.26091830
   0.53514999  0.13386139  0.44821998
   0.83394969  0.22465133  0.89455093
   0.43008863  0.42654509  0.54638828
   0.98376959  0.37114542  0.88293312
   0.40640240  0.65661144 -0.01555622
   0.50006642  0.36138857  0.52668460
   0.61216784  0.86142385  0.11950371
   0.67200685  0.44905682 -0.40717922
   0.52188606  0.61015950  0.50363333
   1.04331347  0.74172675  0.96257392
   0.48253710  0.87808023  0.73327688
   1.00301805  0.93002224  0.90892639
   0.03022879 -0.05055415  0.09237500
   0.45023134  0.17720114  0.38154338
  -0.03169613  0.27109705  0.00009085
   0.40560917  0.58582317  0.38752348
   0.53698532  0.21936020  0.15548761
   0.03497347  0.35575603  0.24966752
   0.21266992  0.07781527  0.51471669
  -0.09788856  0.20101008  0.47318608
   0.03954247  0.07959150  0.39082148
   0.17169202  0.41739884  0.75217176
   0.37728224  0.29641324  0.55251513
   0.50918622  0.47586046  0.77875064
   0.29383659  0.42740794  0.60273882
   0.05629026  0.39741953  0.77959860
   0.22324333  0.03087679 -0.05042665
   0.23889802  0.12991555  0.86693694
   0.28975610  0.69269980  0.04842648
   0.24630537  0.87442271  0.20915839
   0.05711220  0.79387641  0.03898655
   0.37016031  0.88480313  0.18335694
   0.40321696  0.88980389  0.15013757
   0.27791007  0.94255504  0.08221769
   0.42588843  0.65299097  0.40127040
  -0.41465623  0.45198460  0.23003782
   0.26598613  0.39263462  0.54270218
   0.38346086  0.86984325  0.74983980
   0.26304689  0.58804920  0.45467747
   0.51605775  1.39569745  0.77584239
   0.49042946  1.04711652  0.63842073
   0.33891418  0.95379593  0.63215970
   0.18027677  0.77344012 -0.06716310
   0.03498133  0.82468798  1.01760354
   0.49104789 -0.05448463 -0.09446265
   1.02998274  0.18650418 -0.00778579
   1.19718485  0.62196194 -0.09225990
   0.63707214  0.36371246  0.45812261
   0.02724546  0.45770210  0.09940775
   0.63206045  0.71894003 -0.02635784
   0.69120716  0.20274027  0.44679844
   0.41149236  0.12149445  0.47882990
   0.63570620  0.00238478  0.55286259
   0.93113583  0.38096640  0.79988602
   0.64132639  0.32093937  0.48280418
   0.65617844  0.35834701  1.00889362
   1.31378001  0.65370702  0.51160156
   0.62377118  0.42953092  0.53211557
   0.83819443 -0.14202893  0.91306149
   0.23519592  0.00570032  0.98641322
   0.52199494  0.69576799  0.14051295
   0.82671160  0.86702979  0.19264931
   0.03940000  0.36977503  0.29445262
   0.99673322  1.13017752  0.24883193
   0.93781482  0.84940984  0.01777950
   0.65028056  0.87775352  0.17672595
   1.03071127  0.89228080  0.18685177
   0.49337112  0.70646952  0.46323851
   0.67254656  0.63113873  0.53808371
   0.99755488  0.84261657  0.74835251
   0.59251326  1.50749369  2.11158239
   0.77265030  0.91631368  0.85757933
   0.90995172  0.85815172  0.65670502
   0.56978119  0.99638878  0.68063502
   0.82097250  0.92183991  0.97451779
   0.38377130  0.69555684  1.02176812
   8.30240979  5.87457714  0.94471477
   1.88793129 -0.59222038  1.96993407
   1.53578181  1.59363166  3.14695075
   4.08786928  2.65054525 -1.41515229
  -6.29021412 -1.67371955 -1.27512653
   4.12097186 -3.29807799  3.69985255
   0.26134496 -1.18871356 -1.05480815
   0.72019598 -0.29049444 -0.82353562
  -0.84694776 -1.30419917 -3.12486235
  10.61243569 11.23182939  2.88777571
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.476764   -0.856561   -3.102761
    -0.000000   26.916385    1.258364
    -0.000000    0.000000   35.689448
   Si   O    H 
    32    64    10
Direct configuration=  4032
   0.09504774  0.30835124  0.02306497
   0.21005399  0.11215776  0.47581017
   0.22080249  0.46916077 -0.01964276
   0.82480088 -0.22650454  0.58031179
   0.09509342 -0.29874765  0.07661016
   0.23887891 -0.01668948  0.89973764
   0.31669966  0.37942413  0.76887262
   0.40167140  0.35932135  0.72440926
   0.19706483  0.71880147  0.04708137
   0.38834260  0.63685220  0.44855159
   0.01526114  0.92247343  0.01387387
   0.24757829  0.92807343  0.16760034
   0.35521565  0.56805821  0.50689149
   0.52982999  0.89900943  0.95220103
   0.12877413  0.87705922  0.68576660
   0.22630567  0.84840224  0.71737033
   0.39823448 -0.01766035  0.92071761
   0.60802725  0.13749517  0.40904227
   0.76984907  0.48513876  0.15296917
   1.11922630  0.47458141  0.26143512
   0.53249250  0.13369739  0.44839280
   0.83195723  0.22516128  0.89281568
   0.42206633  0.42762377  0.54581606
   0.98274189  0.37067147  0.88303632
   0.40556165  0.65642955 -0.01545374
   0.50083590  0.36263994  0.52826457
   0.61273812  0.86152560  0.12060915
   0.66980950  0.44909207 -0.40575988
   0.51755735  0.61315344  0.50165210
   1.04353913  0.74287565  0.96378453
   0.48014567  0.87480598  0.73447267
   1.00476652  0.92951147  0.90851141
   0.03330649 -0.05191091  0.09161350
   0.44892811  0.17751194  0.38009784
  -0.03452088  0.27364366  0.00188561
   0.40745501  0.58697015  0.38941257
   0.53574451  0.21807902  0.15373158
   0.04167449  0.35403817  0.25323019
   0.22666862  0.08093841  0.52071032
  -0.09913800  0.20084160  0.47267645
   0.02999662  0.07842732  0.38536747
   0.16699449  0.41855935  0.75159278
   0.37290848  0.29014112  0.55130153
   0.51207222  0.47789191  0.77844877
   0.28915062  0.42794598  0.60195058
   0.06971338  0.39947609  0.78231439
   0.23184443  0.03028632 -0.04394886
   0.24314437  0.13059704  0.86708097
   0.29117387  0.69120549  0.04704976
   0.24454536  0.87548858  0.20475915
   0.05757812  0.79019570  0.04348922
   0.36315603  0.88610812  0.18199978
   0.39950085  0.88736283  0.15066069
   0.27686068  0.94029956  0.08230966
   0.42228718  0.65051379  0.40201537
  -0.42081929  0.45306978  0.23004112
   0.27940211  0.39494723  0.54292621
   0.38075737  0.86974943  0.75195287
   0.26129454  0.58800261  0.45097837
   0.54659286  1.40926996  0.78886633
   0.49419461  1.05031093  0.63851025
   0.36512949  0.96601996  0.62464567
   0.17669575  0.77506936 -0.06975745
   0.03385905  0.83044217  1.01447868
   0.48594463 -0.05613960 -0.09206323
   1.03668961  0.18342300 -0.00734152
   1.19834064  0.62328331 -0.09288107
   0.64080109  0.36697137  0.45827303
   0.02519095  0.45969246  0.09736100
   0.63865803  0.73180266 -0.03876348
   0.69063782  0.20248920  0.44725247
   0.41531377  0.12339122  0.47948740
   0.63884689  0.00166008  0.55235697
   0.93528528  0.38006084  0.80200108
   0.63898566  0.31898163  0.48283884
   0.65457555  0.35810141  1.01039752
   1.32342119  0.65546873  0.51114432
   0.63219427  0.43007676  0.52862694
   0.84427145 -0.14063357  0.91290681
   0.22800296  0.01057099  0.98407869
   0.51469371  0.70129720  0.14784616
   0.82727982  0.86632034  0.19281234
   0.03565862  0.36818569  0.29188700
   0.99665361  1.13041488  0.24819732
   0.93900435  0.85016563  0.01677312
   0.65380604  0.87825542  0.17422212
   1.03322914  0.89421983  0.18694204
   0.49292504  0.70310505  0.46451048
   0.67527972  0.63389732  0.53889315
   1.00299826  0.84352874  0.74818477
   0.59586612  1.49522837  2.11727601
   0.77562408  0.91609069  0.85728262
   0.90825099  0.85935499  0.65770938
   0.56954822  0.99912175  0.67880843
   0.82010910  0.92127833  0.97756477
   0.39067500  0.69196647  1.02422276
   8.75177906  5.76765821  1.14440892
   1.95041328 -0.60426378  1.98996827
   1.45492341  1.59251277  3.14853188
   4.12004495  2.60525755 -1.40738536
  -6.55040158 -1.72758402 -1.30665865
   4.06959015 -3.37958208  3.71940195
   0.23604592 -1.20784603 -1.06043812
   0.78515005 -0.28168273 -0.82566537
  -0.87543799 -1.41680091 -3.15400887
  10.66631870 11.25211819  2.84016662
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.488078   -0.820437   -3.085252
    -0.000000   26.929619    1.260566
    -0.000000    0.000000   35.811723
   Si   O    H 
    32    64    10
Direct configuration=  4033
   0.09796562  0.30828435  0.02288280
   0.18675772  0.11602613  0.47100571
   0.21631413  0.46860873 -0.02101697
   0.82731632 -0.22872440  0.57970874
   0.10244347 -0.29935090  0.07571618
   0.24600983 -0.01699577  0.90112990
   0.31875227  0.37901369  0.76918286
   0.38437033  0.35451470  0.71844548
   0.19378175  0.71933998  0.04880406
   0.38823734  0.63501888  0.45092216
   0.01480671  0.92071994  0.01357245
   0.24166358  0.93024085  0.16675104
   0.35648735  0.56556537  0.50784199
   0.53435944  0.89728563  0.95348019
   0.13453308  0.87332902  0.69118666
   0.20402887  0.84468008  0.71541554
   0.38488802 -0.01569965  0.92038299
   0.60864538  0.13845672  0.40875410
   0.77597161  0.48320453  0.15386251
   1.12042723  0.47364176  0.26220790
   0.52835137  0.13399561  0.44861484
   0.83389994  0.22583460  0.89236550
   0.42434579  0.42624605  0.54478111
   0.98268658  0.37017518  0.88305512
   0.40500752  0.65555229 -0.01624977
   0.49807356  0.36724822  0.53060989
   0.61083505  0.86184162  0.12060321
   0.66533653  0.44869277 -0.40507968
   0.50790049  0.61737474  0.49812100
   1.04402917  0.74418404  0.96462022
   0.47966669  0.87144518  0.73597451
   1.00707418  0.92905454  0.90836791
   0.03822501 -0.05326859  0.09106956
   0.45171844  0.17651300  0.37996748
  -0.03795824  0.27479876  0.00388742
   0.40924783  0.58851353  0.39085061
   0.53467336  0.21696187  0.15239957
   0.04784470  0.35367737  0.25802183
   0.23873866  0.08367328  0.52592546
  -0.09970808  0.20039477  0.47206477
   0.02022249  0.07722258  0.38034406
   0.16843528  0.41805069  0.75206543
   0.36812854  0.28529787  0.54998509
   0.51493447  0.47945837  0.77817203
   0.28417211  0.42856639  0.59967289
   0.07358316  0.40085600  0.78471956
   0.24165437  0.03128351 -0.03848818
   0.24680094  0.13225089  0.86727230
   0.29011041  0.69249504  0.04475138
   0.24206119  0.87877397  0.19961601
   0.05036871  0.79011437  0.04818219
   0.34170528  0.88104487  0.20101668
   0.43077249  0.88485084  0.13401343
   0.27100520  0.94006651  0.07989953
   0.42509030  0.64956160  0.40244356
  -0.42848406  0.45471721  0.22896314
   0.28896571  0.39495312  0.54441180
   0.38764930  0.87214733  0.75616433
   0.26007510  0.58864670  0.44730289
   0.57020756  1.42020831  0.79935491
   0.49439984  1.05491828  0.63781151
   0.38939855  0.97835236  0.61689211
   0.17228263  0.77547419 -0.07045223
   0.06328126  0.82948524  1.00985271
   0.47709737 -0.05345753 -0.09342172
   1.04103781  0.18152150 -0.00722790
   1.19955226  0.62531606 -0.09217429
   0.64435018  0.36632362  0.45901675
   0.02352201  0.46211933  0.09585040
   0.64683467  0.74422224 -0.05012513
   0.68938109  0.20185471  0.44665540
   0.42003013  0.12487701  0.47885701
   0.64241292  0.00046694  0.55084472
   0.94114598  0.37917978  0.80431435
   0.63753242  0.31866499  0.48103156
   0.65288747  0.35854860  1.01168607
   1.33142132  0.65822347  0.51181831
   0.63916742  0.43293879  0.52681787
   0.84631007 -0.13777692  0.91166266
   0.22260249  0.01333027  0.98227660
   0.50686750  0.70561724  0.15430452
   0.83099457  0.86592728  0.19301496
   0.03354225  0.36732755  0.28744715
   0.99659693  1.13075498  0.24737991
   0.90948809  0.85740403  0.01545404
   0.65371282  0.87924047  0.17298659
   1.04033297  0.89520021  0.18765799
   0.48967296  0.69892206  0.46419024
   0.67771953  0.63616147  0.53967622
   1.00979849  0.84429166  0.74751603
   0.59112559  1.48491887  2.12335539
   0.77852202  0.91535707  0.85737736
   0.90370347  0.86071038  0.65870224
   0.57131812  1.00073870  0.67849694
   0.82326406  0.91816277  0.98132931
   0.39445033  0.68834369  1.02784644
   9.19874751  5.66301030  1.32914695
   1.97559335 -0.61178271  1.97940700
   1.40779317  1.55492885  3.15624242
   4.20081977  2.56516040 -1.37564662
  -6.77902651 -1.78978315 -1.34125182
   4.05427607 -3.45400704  3.71944661
   0.23136620 -1.21222273 -1.08043640
   0.85205181 -0.25622606 -0.82667131
  -0.92212570 -1.50858978 -3.21947430
  10.63774977 11.27912226  2.77880003
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.505189   -0.786703   -3.065964
    -0.000000   26.944366    1.261315
    -0.000000    0.000000   35.933110
   Si   O    H 
    32    64    10
Direct configuration=  4034
   0.10275637  0.30755899  0.02257767
   0.16516043  0.12005888  0.46699560
   0.21154928  0.46798040 -0.02216038
   0.82986936 -0.23063265  0.57910478
   0.10971613 -0.30076973  0.07500764
   0.25382710 -0.01933915  0.90161896
   0.32259383  0.37859437  0.76807974
   0.36606691  0.34972620  0.71429181
   0.19442839  0.71905074  0.04983157
   0.38997359  0.63119807  0.45573422
   0.01525999  0.91950956  0.01373904
   0.23508953  0.93499508  0.16439211
   0.35895652  0.56354206  0.50897511
   0.53968070  0.89489146  0.95510031
   0.13032353  0.87406825  0.69239254
   0.19782855  0.83788816  0.71697643
   0.37218550 -0.01417968  0.92081512
   0.60880748  0.14047128  0.40862882
   0.78402170  0.48098432  0.15517004
   1.12131179  0.47264860  0.26306856
   0.52298735  0.13448301  0.44898218
   0.83691589  0.22611851  0.89242713
   0.43638264  0.42381828  0.54355348
   0.98351225  0.36988354  0.88403780
   0.40674799  0.65482088 -0.01710944
   0.49288698  0.37356316  0.53370614
   0.61105107  0.86113040  0.11986553
   0.65862903  0.44774012 -0.40499359
   0.49441202  0.62236424  0.49325177
   1.04533354  0.74526062  0.96547531
   0.47706304  0.86796719  0.73758821
   1.01011377  0.92924899  0.90851808
   0.04540547 -0.05440533  0.09079813
   0.45848273  0.17472503  0.38128465
  -0.04121608  0.27500097  0.00660643
   0.41120438  0.58872744  0.39175631
   0.53358138  0.21595975  0.15144701
   0.05283514  0.35372546  0.26238740
   0.24976064  0.08495344  0.53047581
  -0.10001595  0.19991094  0.47126736
   0.00954489  0.07599241  0.37575560
   0.16702734  0.41887984  0.75502554
   0.36190390  0.28257386  0.54952315
   0.51844429  0.48011767  0.77854124
   0.27972664  0.42906825  0.59704842
   0.07515239  0.40166900  0.78634560
   0.25416950  0.03396617 -0.03537927
   0.24956742  0.13527195  0.86713818
   0.28633037  0.69586174  0.04304284
   0.18024983  0.87798986  0.19657759
   0.04139988  0.79228016  0.05182860
   0.38066921  0.87589678  0.22041836
   0.46065479  0.88378676  0.11868744
   0.26310570  0.93981259  0.07756384
   0.43267861  0.65132329  0.40267941
  -0.43448475  0.45627021  0.22746300
   0.29205340  0.39193422  0.54630982
   0.39567301  0.87408626  0.76017808
   0.25784851  0.58971410  0.44426391
   0.58684468  1.43053054  0.80747242
   0.49362761  1.06105096  0.63649616
   0.41051910  0.98815840  0.61007698
   0.16805659  0.77545548 -0.07094956
   0.08864442  0.82771447  1.00717071
   0.46198113 -0.04814561 -0.09538166
   1.04427117  0.18052043 -0.00725577
   1.19880683  0.62729666 -0.09184904
   0.64826494  0.36223422  0.45953439
   0.02404691  0.46483987  0.09497655
   0.65410515  0.75533091 -0.06043086
   0.68733126  0.20072208  0.44557583
   0.42683093  0.12611647  0.47685789
   0.64746863 -0.00114454  0.54857379
   0.94708843  0.37842409  0.80624622
   0.63630139  0.31925198  0.47803316
   0.65126663  0.35944235  1.01263991
   1.33697912  0.66220645  0.51259691
   0.64303371  0.43817934  0.52630644
   0.84408508 -0.13334010  0.90947266
   0.21605422  0.01316882  0.98263439
   0.50116881  0.70983863  0.16038183
   0.83765409  0.86688852  0.19308727
   0.03223644  0.36682583  0.28293843
   0.99633529  1.13113555  0.24627258
   0.88493527  0.86564834  0.01289882
   0.65178325  0.88057104  0.17245435
   1.04568583  0.89538404  0.18884276
   0.48419258  0.69361833  0.46273274
   0.67991353  0.63759189  0.54051495
   1.01199385  0.84461277  0.74742708
   0.58148860  1.47555713  2.12950809
   0.78123496  0.91395880  0.85794673
   0.89833402  0.86163811  0.65926565
   0.57461792  1.00137825  0.67915827
   0.82804608  0.91304514  0.98463193
   0.39286418  0.68397394  1.03181937
   9.59993094  5.57320367  1.48920657
   1.93900803 -0.59567668  1.93484448
   1.33235771  1.51549289  3.15428262
   4.24948931  2.52596584 -1.33271269
  -6.93871220 -1.79302747 -1.35438945
   4.09827097 -3.52000745  3.68952080
   0.21309404 -1.21594798 -1.09372874
   0.91195168 -0.23229232 -0.83463081
  -0.87302596 -1.61350362 -3.30195877
  10.57231195 11.29812189  2.71207427
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.527686   -0.755620   -3.045329
    -0.000000   26.960006    1.261143
    -0.000000    0.000000   36.054072
   Si   O    H 
    32    64    10
Direct configuration=  4035
   0.10658370  0.30566865  0.02204250
   0.14566816  0.12439367  0.46358198
   0.20702858  0.46764764 -0.02344202
   0.83233464 -0.23223066  0.57878604
   0.11167829 -0.30414474  0.07617540
   0.25403537 -0.02310151  0.90079681
   0.32572896  0.37882477  0.76564461
   0.34548178  0.34591011  0.71139762
   0.20308067  0.72008352  0.04835937
   0.39062796  0.62686661  0.45961327
   0.01749301  0.91948867  0.01418293
   0.22918131  0.93988684  0.16179830
   0.36334424  0.56208213  0.50967107
   0.54354195  0.89334244  0.95604538
   0.12191715  0.87641135  0.69197534
   0.19959489  0.83005807  0.72008040
   0.36773340 -0.01359927  0.92158505
   0.60803086  0.14243172  0.40979052
   0.79009210  0.47887410  0.15629315
   1.12260315  0.47247210  0.26375045
   0.51878792  0.13476812  0.44876701
   0.84073504  0.22647013  0.89286814
   0.45216580  0.42429658  0.54270811
   0.98346091  0.36991929  0.88499309
   0.40971635  0.65447053 -0.01733125
   0.49289534  0.37819829  0.53667964
   0.61374589  0.86018680  0.11954182
   0.64893365  0.44573805 -0.40548144
   0.48114834  0.62799598  0.48842205
   1.04637351  0.74553203  0.96620343
   0.47428669  0.86450632  0.73902242
   1.01418025  0.93017209  0.90883999
   0.05264901 -0.05606144  0.09041189
   0.46408914  0.17299251  0.38204006
  -0.04318747  0.27434567  0.00877507
   0.41365700  0.59078646  0.39233777
   0.53296264  0.21494973  0.15088169
   0.05818213  0.35194293  0.26450419
   0.26091401  0.08517920  0.53504512
  -0.10075716  0.19872233  0.46901166
  -0.00197948  0.07451056  0.37139940
   0.17026520  0.41874041  0.76105409
   0.35695540  0.28214845  0.54806138
   0.52116129  0.47998160  0.77907954
   0.27462163  0.42914041  0.59464886
   0.07321765  0.40185927  0.78609787
   0.26851850  0.03901178 -0.03315015
   0.25167488  0.13946182  0.86676655
   0.27897946  0.69937254  0.04292119
   0.12931427  0.87614154  0.19580433
   0.02764546  0.79623640  0.05468615
   0.41227505  0.87143624  0.23664185
   0.48505979  0.88392178  0.10539073
   0.25613140  0.93870988  0.07560877
   0.44053288  0.65076967  0.40383391
  -0.43795922  0.45744657  0.22685271
   0.28800308  0.38661759  0.54873561
   0.40162222  0.87522120  0.76450974
   0.25354348  0.59118567  0.44195640
   0.60356251  1.44031161  0.81473274
   0.49360173  1.07043783  0.63554027
   0.42629386  0.99467501  0.60354338
   0.16317717  0.77568504 -0.07100178
   0.11233738  0.82828997  1.00399553
   0.44978532 -0.04302420 -0.09534797
   1.04667241  0.18220598 -0.00714965
   1.19645877  0.62916738 -0.09180992
   0.65183953  0.35690509  0.45831482
   0.02247551  0.46715902  0.09367110
   0.66108942  0.76475974 -0.06968369
   0.68504032  0.20028538  0.44420765
   0.43281933  0.12730098  0.47436232
   0.65341643 -0.00256578  0.54569135
   0.95781647  0.37864288  0.80887108
   0.63478745  0.31942150  0.47518114
   0.64956199  0.36088364  1.01335381
   1.34156796  0.66678163  0.51349104
   0.64624867  0.44544396  0.52669373
   0.83867894 -0.12812112  0.90707775
   0.20630664  0.01068212  0.98475066
   0.49622660  0.71296542  0.16591109
   0.84012435  0.86798914  0.19258644
   0.02871806  0.36661411  0.28063461
   0.99618449  1.13140392  0.24510365
   0.86414694  0.87117088  0.01196049
   0.64916741  0.88118399  0.17113213
   1.05436768  0.89651181  0.18928932
   0.48013365  0.68739937  0.46239656
   0.68012680  0.63838870  0.54076688
   1.01149302  0.84478577  0.74709211
   0.57519189  1.46736495  2.13449507
   0.78472918  0.91244559  0.85913639
   0.89301550  0.86191633  0.65948818
   0.58015814  1.00150590  0.68047543
   0.83122799  0.90761908  0.98542436
   0.38812065  0.67883503  1.03417445
   9.95275574  5.47262373  1.65033991
   1.90082660 -0.59897530  1.87570280
   1.26703315  1.49869419  3.15817667
   4.29888878  2.46489789 -1.27875274
  -7.08711351 -1.77333359 -1.31655144
   4.15379765 -3.57020725  3.65394925
   0.18728946 -1.22502034 -1.09862949
   0.93046819 -0.21328454 -0.84978088
  -0.83199616 -1.74258318 -3.40291242
  10.53567507 11.32699010  2.65485615
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.555481   -0.726996   -3.024069
    -0.000000   26.977021    1.261264
    -0.000000    0.000000   36.174333
   Si   O    H 
    32    64    10
Direct configuration=  4036
   0.10985385  0.30374477  0.02128016
   0.12966169  0.12834281  0.46120575
   0.20231755  0.46751607 -0.02465436
   0.83461457 -0.23319473  0.57871094
   0.11594380 -0.30844647  0.07703330
   0.23950332 -0.02856703  0.89759128
   0.32653900  0.37779390  0.76252439
   0.32459573  0.34310827  0.71013406
   0.19675145  0.72612602  0.04765205
   0.38798428  0.62181899  0.46235313
   0.02648454  0.92144765  0.01516643
   0.22509135  0.94573512  0.15863806
   0.36994025  0.56301833  0.50948990
   0.54542509  0.89325598  0.95626799
   0.11970409  0.87622076  0.69303331
   0.19911403  0.82561308  0.72188172
   0.37943785 -0.01395258  0.92278468
   0.60711845  0.14300644  0.41255361
   0.79462486  0.47690520  0.15729597
   1.12394044  0.47270503  0.26418450
   0.51790129  0.13474587  0.44769012
   0.84470975  0.22686701  0.89347437
   0.45805578  0.43094770  0.54312421
   0.97889937  0.37162610  0.88439109
   0.41283398  0.65456359 -0.01687759
   0.50297144  0.37647675  0.53879485
   0.61719264  0.85890644  0.11919019
   0.63929661  0.44336400 -0.40559437
   0.46827379  0.63475131  0.48500575
   1.04706978  0.74523616  0.96656534
   0.47221637  0.86078714  0.74003656
   1.01868772  0.93122948  0.90932605
   0.06012210 -0.05779394  0.08927031
   0.46428863  0.17283857  0.38064588
  -0.04385880  0.27312386  0.01042641
   0.41782921  0.59556940  0.39303031
   0.53290869  0.21385947  0.15037948
   0.06503692  0.34906453  0.26487290
   0.26995089  0.08557869  0.53848029
  -0.10086727  0.19675754  0.46681048
  -0.01488468  0.07322669  0.36719555
   0.17295808  0.41851775  0.76749735
   0.34983096  0.28167941  0.54661598
   0.52930167  0.47933987  0.78144478
   0.27060450  0.42803045  0.59218123
   0.07655890  0.40353718  0.78603691
   0.27763114  0.04526612 -0.02863690
   0.25456045  0.14367795  0.86657585
   0.29362171  0.69334381  0.04324598
   0.09991861  0.86822305  0.19814187
   0.01204248  0.80255247  0.05699062
   0.44177321  0.86729391  0.25107577
   0.50615087  0.88437266  0.09405993
   0.24933060  0.93721008  0.07373620
   0.44787756  0.64773866  0.40499943
  -0.43787482  0.45832500  0.22751941
   0.28382304  0.38161639  0.55087842
   0.40354111  0.87612810  0.76873679
   0.24768782  0.59226244  0.44057813
   0.61921595  1.45017806  0.82094333
   0.49559374  1.08427961  0.63565789
   0.43579708  0.99707180  0.59589752
   0.15669731  0.77617219 -0.07033899
   0.13359260  0.83045371  1.00059651
   0.44175394 -0.03845399 -0.09206612
   1.04746681  0.18490471 -0.00713624
   1.19359490  0.63059341 -0.09155597
   0.65688271  0.35302266  0.45597983
   0.01930885  0.46948604  0.09235701
   0.66769665  0.77342520 -0.07801160
   0.68393241  0.20134844  0.44346030
   0.43686069  0.12870606  0.47215439
   0.65990321 -0.00371602  0.54218607
   0.96896313  0.37904862  0.81333027
   0.63194947  0.31824382  0.47326617
   0.64803489  0.36286374  1.01438653
   1.34769911  0.66944508  0.51363481
   0.65097763  0.45246058  0.52624879
   0.83119153 -0.12359507  0.90351883
   0.19754530  0.00800643  0.98644509
   0.49213717  0.71568406  0.17142633
   0.83459424  0.86875407  0.19135411
   0.02245036  0.36685698  0.28007527
   0.99656485  1.13156822  0.24395425
   0.84229032  0.86756252  0.01669532
   0.64732357  0.88139896  0.16933948
   1.05028672  0.90277732  0.18854893
   0.47734004  0.67825580  0.46332513
   0.68095668  0.63914880  0.54116771
   1.00807433  0.84484373  0.74673156
   0.57126746  1.45980454  2.13817843
   0.78907798  0.91104500  0.86075344
   0.88600642  0.86107934  0.65874999
   0.58788422  1.00061043  0.68259725
   0.82464744  0.90825040  0.98007464
   0.38694314  0.67268983  1.03423324
  10.23823409  5.36811110  1.79547662
   1.99995674 -0.64718323  1.81361668
   1.18708119  1.49328693  3.16354614
   4.24201119  2.41149647 -1.25475464
  -7.25714578 -1.77603653 -1.30238030
   4.18181373 -3.61987707  3.63818458
   0.17194113 -1.23946527 -1.10674211
   0.91313367 -0.20203451 -0.86779685
  -0.76355222 -1.83036551 -3.49397378
  10.56060706 11.36673816  2.60184631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.585122   -0.700583   -3.002762
    -0.000000   26.994388    1.261692
    -0.000000    0.000000   36.293291
   Si   O    H 
    32    64    10
Direct configuration=  4037
   0.11228628  0.30229551  0.02051091
   0.11574581  0.13275061  0.45910116
   0.19823944  0.46724796 -0.02592934
   0.83681116 -0.23361679  0.57909385
   0.12239804 -0.31038181  0.07642808
   0.23931111 -0.03281030  0.89698253
   0.32840702  0.37594307  0.76041170
   0.30599866  0.34061726  0.70961215
   0.19430477  0.72854478  0.04775705
   0.37979099  0.61616338  0.46392231
   0.03201075  0.92259397  0.01617446
   0.22056392  0.95059677  0.15601530
   0.37671637  0.56653612  0.50783974
   0.54734650  0.89363659  0.95598297
   0.12320621  0.87342232  0.69552058
   0.19732889  0.82466796  0.72249637
   0.37631093 -0.01385986  0.92129667
   0.60783015  0.14244195  0.41585021
   0.79936808  0.47512360  0.15812704
   1.12458616  0.47224021  0.26460234
   0.51978677  0.13410446  0.44627063
   0.84892746  0.22740179  0.89437086
   0.46042665  0.43761903  0.54295363
   0.97567858  0.37313243  0.88500670
   0.41643892  0.65438930 -0.01603319
   0.51432269  0.37441213  0.53999215
   0.62141345  0.85694238  0.11856631
   0.63073587  0.44120412 -0.40537378
   0.45911421  0.64005532  0.48503256
   1.04627239  0.74459116  0.96667920
   0.46935729  0.85712615  0.74096442
   1.02119638  0.93176733  0.90984683
   0.06858261 -0.05963758  0.08712243
   0.45997411  0.17368426  0.37777091
  -0.04251040  0.27169112  0.01183657
   0.42061988  0.59816113  0.39242573
   0.53246335  0.21257939  0.14991524
   0.07366435  0.34609015  0.26450646
   0.28315588  0.08458794  0.54304460
  -0.09909280  0.19431549  0.46453585
  -0.03055766  0.07144344  0.36247995
   0.17696126  0.41771049  0.77480011
   0.34248710  0.28226710  0.54507801
   0.53277737  0.47668383  0.78364891
   0.26582253  0.42511473  0.58971636
   0.05944356  0.39733137  0.79234399
   0.27850026  0.05278974 -0.02195529
   0.25761575  0.14700697  0.86701486
   0.29244040  0.69231462  0.04514277
   0.09019346  0.85449329  0.20248186
  -0.00118647  0.80784125  0.05967677
   0.46872641  0.86403076  0.26404421
   0.52443118  0.88531552  0.08474764
   0.24156597  0.93570431  0.07184744
   0.45798768  0.64868700  0.40839294
  -0.43671599  0.45915495  0.22790392
   0.28109935  0.37843381  0.55278814
   0.40394371  0.87659278  0.77212513
   0.24204631  0.59299111  0.44118499
   0.63502352  1.46017969  0.82699855
   0.49902506  1.09976125  0.63654386
   0.44183860  0.99834364  0.58804447
   0.15299624  0.77830645 -0.06943119
   0.15213017  0.83240100  0.99692022
   0.44137104 -0.03974790 -0.09033632
   1.04677977  0.18663556 -0.00768007
   1.19118063  0.63076905 -0.09086214
   0.66309778  0.35117431  0.45305402
   0.01451487  0.47195867  0.09111154
   0.67466223  0.78180697 -0.08569692
   0.68230032  0.20355272  0.44299399
   0.43494060  0.13063880  0.47163236
   0.66712001 -0.00486253  0.53836158
   0.99325235  0.38366243  0.81206679
   0.62756739  0.31688516  0.47303152
   0.64646790  0.36481291  1.01531181
   1.35377725  0.67008784  0.51277973
   0.65312490  0.45706047  0.52502912
   0.82512986 -0.11920028  0.90056010
   0.19124811  0.00540152  0.98731256
   0.48867332  0.71769668  0.17662272
   0.81814118  0.86892013  0.18957651
   0.01555703  0.36854187  0.28039835
   0.99655315  1.13222405  0.24282086
   0.82410753  0.86546312  0.02039055
   0.64602780  0.88187338  0.16813027
   1.04263162  0.91697090  0.18584152
   0.47272595  0.66845846  0.46124088
   0.68271325  0.63998535  0.54183268
   1.00268861  0.84458184  0.74615559
   0.56649645  1.45276311  2.14117488
   0.79561898  0.90989059  0.86210676
   0.87848520  0.85971120  0.65776489
   0.59397255  0.99907952  0.68436932
   0.82252149  0.90816786  0.97671771
   0.38618776  0.66633963  1.03270528
  10.52373285  5.31288142  1.89813702
   2.11414755 -0.64806492  1.73887877
   1.14281915  1.50326899  3.16795503
   4.22550479  2.38037177 -1.26979251
  -7.40563999 -1.79178500 -1.28511398
   4.21961922 -3.65505669  3.60017634
   0.13671377 -1.24640756 -1.10891411
   0.90168810 -0.20368588 -0.89354145
  -0.68388040 -1.90798723 -3.58089500
  10.62076532 11.39471883  2.58721370
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.615907   -0.675411   -2.981830
    -0.000000   27.011809    1.261761
    -0.000000    0.000000   36.411117
   Si   O    H 
    32    64    10
Direct configuration=  4038
   0.11419263  0.30172266  0.01983779
   0.10442466  0.13727839  0.45769127
   0.19471972  0.46724236 -0.02727888
   0.83919618 -0.23349247  0.57967809
   0.12869066 -0.31017350  0.07501078
   0.25415200 -0.03526271  0.89918625
   0.32983595  0.37485130  0.75904644
   0.28906641  0.33780241  0.70901658
   0.19717671  0.72732417  0.04896566
   0.36799984  0.60995044  0.46462525
   0.03209397  0.92286852  0.01679582
   0.21552789  0.95442111  0.15412688
   0.38316367  0.57195926  0.50475735
   0.54873463  0.89431269  0.95539575
   0.12864760  0.86781378  0.69911939
   0.19553604  0.82700952  0.72234968
   0.35640898 -0.01064625  0.91959399
   0.60954651  0.14245638  0.41882591
   0.80387706  0.47376980  0.15896231
   1.12368963  0.47017555  0.26573108
   0.52266674  0.13371561  0.44559005
   0.85242929  0.22768942  0.89577754
   0.45957636  0.44213571  0.54239635
   0.97313388  0.37490668  0.88614632
   0.42086109  0.65415243 -0.01504093
   0.52293527  0.37299763  0.54029929
   0.62621889  0.85450256  0.11733614
   0.62505980  0.43933675 -0.40440116
   0.44744965  0.63452603  0.49532686
   1.04380045  0.74382658  0.96663782
   0.46466683  0.85391474  0.74223889
   1.02136677  0.93154441  0.91029873
   0.07878692 -0.06122982  0.08535710
   0.45518011  0.17385835  0.37447809
  -0.04004821  0.27000825  0.01253891
   0.42359805  0.60068585  0.39132216
   0.53201490  0.21120745  0.14923917
   0.07941305  0.34512537  0.26487084
   0.29506612  0.08407542  0.54705499
  -0.09598756  0.19141412  0.46240003
  -0.04591513  0.06885503  0.35740222
   0.18651835  0.41826154  0.78052496
   0.33945573  0.28235036  0.54333086
   0.53496963  0.47265261  0.78586506
   0.26415038  0.41707506  0.58348228
   0.05288212  0.39383181  0.79526720
   0.27804197  0.05845850 -0.01701191
   0.26103039  0.15037837  0.86796459
   0.28132197  0.69571123  0.04684340
   0.08370026  0.84262047  0.20523992
  -0.00924197  0.81119244  0.06208195
   0.49299805  0.86136189  0.27600595
   0.54001359  0.88662935  0.07705314
   0.23132012  0.93404748  0.06964184
   0.46579777  0.64877199  0.41303325
  -0.43473374  0.45954300  0.22802000
   0.28224350  0.38309334  0.55756610
   0.40302183  0.87610074  0.77428835
   0.23893943  0.59337715  0.44325271
   0.64672850  1.46852943  0.83248692
   0.50093343  1.11371778  0.63687288
   0.44585396  0.99913865  0.58110780
   0.15019409  0.78176906 -0.06928627
   0.16905624  0.83270859  0.99357818
   0.44636711 -0.04768314 -0.09052706
   1.04483954  0.18690996 -0.00898865
   1.18977755  0.62959125 -0.08936545
   0.66974274  0.35021248  0.45039458
   0.00897198  0.47429772  0.08928994
   0.67984309  0.78830231 -0.09192904
   0.67923654  0.20491231  0.44229673
   0.43142431  0.13224646  0.47105589
   0.67580198 -0.00553349  0.53422994
   1.00242962  0.38531208  0.81385622
   0.62245743  0.31738203  0.47421594
   0.64434500  0.36673768  1.01589202
   1.36139735  0.66942755  0.51059447
   0.65197560  0.45933613  0.52387625
   0.82231931 -0.11566516  0.89832553
   0.18722045  0.00274958  0.98676792
   0.48637831  0.71917780  0.18123540
   0.79698118  0.86924731  0.18712028
   0.01329930  0.37052303  0.28011703
   0.99647185  1.13286282  0.24128843
   0.81205914  0.86440275  0.02247153
   0.64531481  0.88335404  0.16742016
   1.03808742  0.92935247  0.18343046
   0.47683606  0.67743850  0.44327351
   0.68523390  0.64060011  0.54273493
   0.99630891  0.84433763  0.74451592
   0.56074764  1.44628446  2.14419603
   0.80325793  0.91018007  0.86185095
   0.87397410  0.85765115  0.65706958
   0.59968655  0.99739571  0.68666045
   0.82333091  0.90868252  0.97627766
   0.38191729  0.66150408  1.03139766
  10.80628311  5.27222901  1.97711555
   2.22344667 -0.65567690  1.66250378
   1.15111037  1.53490048  3.16389209
   4.22930849  2.35908713 -1.28329182
  -7.53711580 -1.79116798 -1.25952786
   4.23329713 -3.69015953  3.58602562
   0.09675676 -1.22317319 -1.10419545
   0.92515566 -0.20901410 -0.90163556
  -0.65247483 -1.98138065 -3.66507944
  10.70624406 11.41548172  2.58818376
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.647812   -0.650712   -2.961262
    -0.000000   27.029348    1.262106
    -0.000000    0.000000   36.527378
   Si   O    H 
    32    64    10
Direct configuration=  4039
   0.11570601  0.30173571  0.01928300
   0.09532837  0.14166600  0.45681985
   0.19162052  0.46752712 -0.02865360
   0.84164220 -0.23296854  0.58049863
   0.13072988 -0.30915290  0.07419997
   0.25866836 -0.03981866  0.90001515
   0.33177619  0.37412300  0.75831557
   0.27515975  0.33443296  0.70771406
   0.21516652  0.72098447  0.05087693
   0.35622722  0.60620525  0.46434693
   0.02779549  0.92274220  0.01669787
   0.21197347  0.95799988  0.15334539
   0.38801573  0.57567611  0.50237871
   0.54864958  0.89586204  0.95453096
   0.12913012  0.86235048  0.70214335
   0.19853456  0.82944929  0.72267885
   0.35161915 -0.00736662  0.92045292
   0.60989721  0.14260721  0.41979374
   0.80706566  0.47274787  0.15947813
   1.12199773  0.46751723  0.26668850
   0.52295664  0.13312752  0.44407210
   0.85617755  0.22836489  0.89837438
   0.45989537  0.44291840  0.54171727
   0.97107537  0.37665413  0.88688701
   0.42504529  0.65392354 -0.01412314
   0.52892067  0.37357030  0.53978523
   0.63026112  0.85182343  0.11527141
   0.62303831  0.43803366 -0.40410954
   0.44484516  0.62976911  0.50396837
   1.03965144  0.74332432  0.96635943
   0.45766496  0.85131177  0.74364443
   1.01946448  0.93099234  0.91058265
   0.08893701 -0.06288867  0.08352083
   0.45571274  0.17168146  0.37352364
  -0.03649205  0.26825287  0.01346056
   0.42027277  0.59691596  0.38808724
   0.53230930  0.20949385  0.14881481
   0.08154180  0.34591721  0.26565472
   0.30438310  0.08491815  0.54983575
  -0.09215751  0.18792018  0.46046987
  -0.06214255  0.06579597  0.35282651
   0.20040957  0.41923256  0.78345716
   0.33931234  0.28263745  0.54172450
   0.53823799  0.46805386  0.78867551
   0.25870916  0.40911619  0.58006352
   0.07391059  0.39466340  0.79105547
   0.27856975  0.06242605 -0.01458125
   0.26355344  0.15311410  0.86960699
   0.25001490  0.70848103  0.04697082
   0.07841061  0.83144859  0.20663358
  -0.01599977  0.81190178  0.06553077
   0.51388984  0.85966793  0.28745900
   0.55605329  0.88795188  0.07166433
   0.21796104  0.93209586  0.06710482
   0.47555737  0.64698517  0.41121930
  -0.43309419  0.45990594  0.22751589
   0.28654150  0.38741918  0.55920837
   0.40202837  0.87448759  0.77538857
   0.23679592  0.59390383  0.44604451
   0.65411764  1.47623895  0.83615150
   0.50198139  1.12784662  0.63730165
   0.44956928  0.99839124  0.57541798
   0.14797852  0.78609692 -0.06675399
   0.18497460  0.83218714  0.99054636
   0.44155392 -0.05082543 -0.08847011
   1.04280013  0.18487003 -0.01121279
   1.18793515  0.62775374 -0.08787532
   0.67518482  0.34872169  0.44839385
   0.00075663  0.47564066  0.08699612
   0.68287161  0.79217989 -0.09696300
   0.67423681  0.20617528  0.44167889
   0.42494353  0.13353886  0.47127119
   0.68593471 -0.00632546  0.52948645
   0.98234198  0.38152274  0.82379032
   0.61895937  0.32100367  0.47594871
   0.64147602  0.36892161  1.01632714
   1.36070104  0.66876016  0.50729237
   0.64719796  0.45911256  0.52460454
   0.82325700 -0.11317172  0.89760786
   0.18664621  0.00026262  0.98546735
   0.48387813  0.72012158  0.18558136
   0.77338142  0.86986644  0.18473148
   0.01620423  0.37237964  0.27904674
   0.99475627  1.13380461  0.23880481
   0.80383003  0.86386129  0.02345732
   0.64524134  0.88593174  0.16655485
   1.03558571  0.94046643  0.18077478
   0.47936049  0.69077980  0.43712348
   0.68667683  0.64100446  0.54365281
   0.99061987  0.84458472  0.74180558
   0.55508479  1.44088092  2.14743520
   0.81207138  0.91318415  0.85924522
   0.87347007  0.85501903  0.65696213
   0.60560925  0.99494786  0.68967408
   0.82584718  0.91047925  0.97771810
   0.37742501  0.65714375  1.03148201
  11.05391458  5.22218877  2.03332443
   2.31918739 -0.65972555  1.61347065
   1.22070779  1.57902121  3.18373126
   4.16546606  2.36112096 -1.29365793
  -7.65148248 -1.77133501 -1.23332291
   4.25946934 -3.68229395  3.57386791
   0.03225473 -1.18871638 -1.16526208
   1.03837501 -0.20664330 -0.90950342
  -0.51647009 -2.01911610 -3.71026676
  10.75193877 11.44312009  2.58995582
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.677802   -0.627438   -2.941444
    -0.000000   27.041845    1.262558
    -0.000000    0.000000   36.637586
   Si   O    H 
    32    64    10
Direct configuration=  4040
   0.11672935  0.30147152  0.01883144
   0.08718637  0.14546643  0.45607349
   0.18834912  0.46766012 -0.03005132
   0.84427751 -0.23248407  0.58149232
   0.13109609 -0.30872366  0.07363392
   0.26017093 -0.04491306  0.90031890
   0.33362485  0.37353329  0.75789784
   0.26216146  0.33127976  0.70649053
   0.17987901  0.73484789  0.05823940
   0.34453065  0.60365653  0.46291054
   0.02417375  0.92266791  0.01677273
   0.20895223  0.96098538  0.15274568
   0.39219961  0.57682884  0.50143455
   0.54819171  0.89729711  0.95372519
   0.12605681  0.85900589  0.70383165
   0.20474952  0.83018326  0.72389121
   0.34956360 -0.00335939  0.92179950
   0.61219020  0.14303164  0.42013063
   0.81009940  0.47180783  0.15999654
   1.12043231  0.46516161  0.26738946
   0.52100886  0.13231567  0.44297315
   0.85985605  0.22894378  0.90082979
   0.46065888  0.44378405  0.54118854
   0.96987271  0.37828285  0.88727714
   0.42866675  0.65389903 -0.01321874
   0.53465258  0.37423429  0.53940724
   0.63373649  0.84926278  0.11353792
   0.62142992  0.43703572 -0.40397189
   0.44473712  0.62665171  0.51202655
   1.03640575  0.74286106  0.96621330
   0.45110579  0.84886444  0.74479377
   1.01813775  0.93059182  0.91094119
   0.09746246 -0.06460317  0.08171931
   0.45682074  0.16974053  0.37240911
  -0.03261257  0.26668646  0.01422269
   0.41875293  0.59407674  0.38555114
   0.53209973  0.20772458  0.14845484
   0.08249052  0.34460396  0.26499600
   0.31261997  0.08585652  0.55244599
  -0.08835117  0.18457153  0.45868003
  -0.07652713  0.06286070  0.34870952
   0.21318727  0.42012470  0.78575722
   0.33923755  0.28283261  0.54030333
   0.54149723  0.46375616  0.79115319
   0.24837155  0.40731466  0.58220433
   0.09154576  0.39524690  0.78744836
   0.27713522  0.06584838 -0.01247851
   0.26613395  0.15561933  0.87089010
   0.31448445  0.68632904  0.03628511
   0.07344183  0.82109015  0.20784725
  -0.02130205  0.81300186  0.06831144
   0.53280659  0.85792666  0.29771452
   0.57154025  0.88903049  0.06714526
   0.20688474  0.93047705  0.06496780
   0.48446884  0.64563151  0.40950540
  -0.43218179  0.45975330  0.22704965
   0.29567284  0.38602974  0.55511389
   0.40151038  0.87304176  0.77651209
   0.23378990  0.59436841  0.44851949
   0.66033819  1.48321834  0.83968191
   0.50317768  1.14025745  0.63778001
   0.45258325  0.99776328  0.57036506
   0.14527017  0.79009698 -0.06440994
   0.19929622  0.83153569  0.98768453
   0.43768639 -0.05406533 -0.08656294
   1.04094953  0.18326380 -0.01315871
   1.18663027  0.62597426 -0.08660736
   0.67766351  0.34702055  0.44640860
  -0.00653184  0.47661495  0.08505197
   0.68594112  0.79589616 -0.10153981
   0.66946176  0.20716278  0.44095735
   0.41991187  0.13465781  0.47158460
   0.69506762 -0.00742057  0.52513955
   0.96471564  0.37797958  0.83274617
   0.61892986  0.32427679  0.47790990
   0.63878003  0.37073580  1.01671848
   1.35966529  0.66881229  0.50444912
   0.64269292  0.45877019  0.52522281
   0.82275375 -0.11054105  0.89648366
   0.18707858 -0.00178058  0.98420409
   0.48152048  0.72121778  0.18955131
   0.75388108  0.87030776  0.18265604
   0.01962851  0.37593696  0.27925375
   0.99353815  1.13463043  0.23675604
   0.79667598  0.86412073  0.02375401
   0.64399884  0.88816813  0.16520653
   1.03411572  0.95056084  0.17837633
   0.48027078  0.70238773  0.43121495
   0.68870571  0.64150546  0.54446287
   0.98558391  0.84473923  0.73931309
   0.54986445  1.43599073  2.15037547
   0.82129248  0.91547479  0.85766046
   0.87323847  0.85256855  0.65670490
   0.61053116  0.99256711  0.69262191
   0.82751634  0.91132947  0.97970878
   0.37403573  0.65294882  1.03139109
  11.27553300  5.17597503  2.08044622
   2.40418698 -0.66494810  1.56803682
   1.28227181  1.61908531  3.20117954
   4.11117759  2.36106314 -1.30260942
  -7.75630137 -1.75292290 -1.21122415
   4.28804897 -3.67520306  3.56386621
  -0.02638765 -1.15743530 -1.22096495
   1.13343249 -0.20974847 -0.91210272
  -0.39521257 -2.05523439 -3.75052370
  10.78762070 11.46716039  2.59046031
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.709386   -0.606608   -2.922069
    -0.000000   27.054840    1.263271
    -0.000000    0.000000   36.746224
   Si   O    H 
    32    64    10
Direct configuration=  4041
   0.11619750  0.30112236  0.01845216
   0.08019762  0.14833068  0.45501556
   0.18536459  0.46837981 -0.03147590
   0.84716500 -0.23151273  0.58260421
   0.13076283 -0.31151987  0.07421344
   0.26397885 -0.04784969  0.90153856
   0.33480356  0.37241797  0.75666792
   0.25246259  0.32913088  0.70657758
   0.15094239  0.74722173  0.06349904
   0.33441625  0.60416463  0.45807035
   0.01585344  0.92144599  0.01514077
   0.20785329  0.96390919  0.15403840
   0.39390653  0.57522592  0.50219855
   0.54770233  0.89882871  0.95303481
   0.11301892  0.85826020  0.70437810
   0.21869532  0.82882939  0.72716707
   0.34171294 -0.00066198  0.92393996
   0.61258792  0.14318095  0.41915008
   0.81014072  0.47072841  0.16022457
   1.12037706  0.46444850  0.26772945
   0.51573785  0.13234804  0.44182410
   0.86356339  0.22934506  0.90336609
   0.46399408  0.44307469  0.54023173
   0.96853127  0.37962091  0.88800380
   0.43326416  0.65352738 -0.01276555
   0.53897369  0.37742712  0.53887427
   0.63622781  0.84639409  0.11007964
   0.62019976  0.43613419 -0.40346989
   0.44897011  0.62973178  0.52082261
   1.03288275  0.74234154  0.96659389
   0.44498087  0.84663558  0.74577281
   1.01542276  0.92980067  0.91107006
   0.10326868 -0.06708462  0.07966810
   0.46087824  0.16615067  0.37288599
  -0.02616616  0.26515273  0.01458328
   0.41450747  0.59120401  0.38407402
   0.53343953  0.20685284  0.14867324
   0.08061753  0.34412091  0.26503868
   0.31942736  0.08739195  0.55423491
  -0.08601583  0.18134691  0.45730013
  -0.08886180  0.06010954  0.34595607
   0.22238237  0.42100255  0.78806805
   0.34003020  0.28103011  0.53822646
   0.54507474  0.45966236  0.79375519
   0.23813617  0.40477210  0.58504756
   0.10980497  0.39590122  0.78586022
   0.27696851  0.06692643 -0.01207195
   0.26882341  0.15790452  0.87263729
   0.36796698  0.66883818  0.02742169
   0.06908563  0.81258261  0.20858691
  -0.02177675  0.81390961  0.07064608
   0.54869673  0.85473395  0.30768137
   0.58734316  0.89005750  0.06470802
   0.19704511  0.92954545  0.06254634
   0.48888821  0.64465326  0.40884270
  -0.43215127  0.45898285  0.22666444
   0.30253201  0.38660810  0.55025516
   0.39839646  0.87162662  0.77752690
   0.23548395  0.59680237  0.45145692
   0.66258113  1.48909211  0.84223321
   0.50456505  1.15036669  0.63840736
   0.45505623  0.99715086  0.56644644
   0.14446682  0.79438061 -0.06275980
   0.21069429  0.83053457  0.98578615
   0.43904103 -0.05693212 -0.08436517
   1.03726371  0.18255832 -0.01582544
   1.18420634  0.62402507 -0.08561447
   0.67729094  0.34564890  0.44604694
  -0.01100876  0.47767465  0.08275495
   0.68668581  0.79742645 -0.10492425
   0.66759291  0.20920828  0.44142666
   0.41773158  0.13545614  0.47097955
   0.70496646 -0.00903941  0.52153343
   0.95160426  0.37443910  0.83905860
   0.62157985  0.32873945  0.47890026
   0.63622441  0.37279536  1.01712597
   1.36216838  0.65928937  0.49953792
   0.63692907  0.45697232  0.52634224
   0.82370380 -0.10825153  0.89682002
   0.19268716 -0.00341019  0.98182217
   0.47885091  0.72159970  0.19357008
   0.73681523  0.87014953  0.18104991
   0.02427639  0.37676605  0.27913736
   0.99251939  1.13595540  0.23446889
   0.79437801  0.86472265  0.02359407
   0.64228105  0.89232215  0.16552839
   1.03397170  0.95943400  0.17568396
   0.47930239  0.71003060  0.42802085
   0.68666845  0.64134603  0.54440402
   0.98254760  0.84528587  0.73711054
   0.54872814  1.43217102  2.15374976
   0.83267386  0.91952509  0.85468536
   0.87295522  0.85019981  0.65558473
   0.61398283  0.99080886  0.69490835
   0.82824430  0.91271796  0.98133946
   0.37286590  0.64831791  1.03107831
  11.46696410  5.12213015  2.12611224
   2.60811605 -0.66357661  1.54048209
   1.30726869  1.65702895  3.20670887
   4.04189406  2.35769711 -1.31981927
  -7.86072480 -1.72482712 -1.19951819
   4.19719277 -3.65971345  3.56250174
  -0.03145384 -1.12894187 -1.28550082
   1.14500168 -0.12900764 -0.88976739
  -0.26686305 -2.06661939 -3.81229731
  10.83356745 11.48891517  2.58573508
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.738165   -0.587048   -2.903774
    -0.000000   27.065061    1.263413
    -0.000000    0.000000   36.849114
   Si   O    H 
    32    64    10
Direct configuration=  4042
   0.11527886  0.30079914  0.01806113
   0.07410768  0.15093913  0.45408480
   0.18244928  0.46894997 -0.03284080
   0.85013861 -0.23073329  0.58372562
   0.13008446 -0.31521272  0.07481654
   0.26600390 -0.05112968  0.90233182
   0.33576414  0.37144639  0.75563791
   0.24329593  0.32714709  0.70656227
   0.12584153  0.75944457  0.06818687
   0.32903862  0.60541417  0.45347857
   0.00857804  0.92044220  0.01365372
   0.20691143  0.96646524  0.15531625
   0.39593282  0.57289951  0.50317138
   0.54727253  0.90022073  0.95231219
   0.09944029  0.85807726  0.70458505
   0.23271647  0.82743221  0.73046625
   0.33581049  0.00244103  0.92611329
   0.61421473  0.14362146  0.41791415
   0.81054826  0.46962321  0.16042632
   1.12042816  0.46388108  0.26796474
   0.50941415  0.13220341  0.44108941
   0.86712818  0.22967628  0.90581693
   0.46678623  0.44247965  0.53940626
   0.96730606  0.38114378  0.88840579
   0.43785374  0.65312298 -0.01264353
   0.54279261  0.38022209  0.53837159
   0.63855461  0.84411419  0.10669089
   0.61897107  0.43523258 -0.40313028
   0.45461005  0.63274623  0.52936568
   1.02983817  0.74202510  0.96695105
   0.43948581  0.84468008  0.74662611
   1.01272648  0.92896927  0.91127706
   0.10802535 -0.06932570  0.07850193
   0.46415011  0.16287829  0.37335103
  -0.02042690  0.26390041  0.01496520
   0.41174199  0.58877407  0.38290865
   0.53438828  0.20594116  0.14869642
   0.07761596  0.34241081  0.26389812
   0.32576210  0.08876808  0.55601342
  -0.08354172  0.17877490  0.45605329
  -0.10044226  0.05775312  0.34340962
   0.23242363  0.42214281  0.78992826
   0.34069074  0.27940854  0.53630824
   0.54832906  0.45588045  0.79599231
   0.23068179  0.40210918  0.58729104
   0.12480223  0.39552771  0.78453987
   0.27639003  0.06783240 -0.01189441
   0.27140792  0.16010924  0.87440120
   0.38895573  0.75945955  0.00045691
   0.06533292  0.80495525  0.20909546
  -0.02195773  0.81449983  0.07248538
   0.56294350  0.85193680  0.31680776
   0.60206157  0.89088912  0.06273612
   0.18857914  0.92865677  0.05944330
   0.49203360  0.64510474  0.40869524
  -0.43181890  0.45814563  0.22657366
   0.30697965  0.38730423  0.54583523
   0.39553498  0.87068753  0.77856424
   0.22982347  0.59830671  0.45352132
   0.66415542  1.49437217  0.84434299
   0.50553625  1.15939402  0.63875944
   0.45728485  0.99637364  0.56288404
   0.14447840  0.79840498 -0.06068077
   0.22016240  0.82945120  0.98391550
   0.44106806 -0.05955811 -0.08241134
   1.03417654  0.18199573 -0.01833560
   1.18212828  0.62216747 -0.08472234
   0.67501021  0.34404544  0.44574033
  -0.01444690  0.47860419  0.08083664
   0.68765441  0.79871334 -0.10808714
   0.66667936  0.21094099  0.44161038
   0.41634417  0.13632320  0.47058645
   0.71394543 -0.01023398  0.51840338
   0.94067160  0.37117291  0.84507750
   0.62666893  0.33319390  0.47985662
   0.63382304  0.37451543  1.01733446
   1.36254988  0.65126484  0.49432159
   0.63124878  0.45490237  0.52738783
   0.82418065 -0.10557544  0.89581433
   0.19876026 -0.00462104  0.97961243
   0.47639876  0.72193926  0.19711908
   0.72453550  0.86902051  0.18043448
   0.02993980  0.37876418  0.27968472
   0.99170574  1.13710104  0.23240470
   0.79318329  0.86582845  0.02286593
   0.63832518  0.89755598  0.16515076
   1.03423978  0.96770219  0.17337322
   0.47852672  0.71519350  0.42487959
   0.68408025  0.64135854  0.54426126
   0.97971894  0.84509399  0.73574218
   0.54748845  1.42897619  2.15656766
   0.84228080  0.92226080  0.85340641
   0.87255644  0.84786601  0.65464365
   0.61660026  0.98938879  0.69696064
   0.82920027  0.91347241  0.98370933
   0.39879129  0.53764603  1.05027816
  11.64259550  5.07582632  2.16825100
   2.79265571 -0.66404560  1.51600650
   1.33202610  1.69128702  3.21156308
   3.98452397  2.35476916 -1.33504530
  -7.95377967 -1.69893150 -1.18868534
   4.11996422 -3.64228850  3.56317634
  -0.03473014 -1.09125234 -1.35098046
   1.15373079 -0.05591713 -0.86893822
  -0.15337379 -2.08417239 -3.86917243
  10.87437403 11.50826162  2.58155153
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.767317   -0.570085   -2.885841
    -0.000000   27.083043    1.260220
    -0.000000    0.000000   36.951016
   Si   O    H 
    32    64    10
Direct configuration=  4043
   0.11345290  0.30030716  0.01759872
   0.07163360  0.15269082  0.45336426
   0.18059874  0.46973946 -0.03387160
   0.85271321 -0.23073006  0.58435504
   0.12738541 -0.31332031  0.07495877
   0.27244942 -0.05083953  0.90408343
   0.33369653  0.36926037  0.75345287
   0.23652297  0.32688603  0.70787787
   0.10749178  0.76516729  0.07313120
   0.32656846  0.60270653  0.44813553
  -0.00008605  0.91892182  0.01155298
   0.20569156  0.96932925  0.15772046
   0.40341365  0.57657056  0.50495103
   0.54565801  0.90174219  0.95149149
   0.09301655  0.85761872  0.70619261
   0.23182010  0.82529907  0.73222819
   0.33027150  0.00027634  0.92713663
   0.61662880  0.14483230  0.41634573
   0.80907886  0.46859698  0.16063635
   1.12108283  0.46407144  0.26801687
   0.49926229  0.13195464  0.44021313
   0.86988180  0.23015854  0.90753866
   0.46779810  0.43768601  0.53892186
   0.96628592  0.38199338  0.88857086
   0.44279102  0.65380695 -0.01266118
   0.53984344  0.38459001  0.53877938
   0.64119603  0.84196695  0.10279114
   0.62047387  0.43468963 -0.40145367
   0.45021867  0.62980819  0.53272501
   1.02704299  0.74198432  0.96710419
   0.44293277  0.84371911  0.74817292
   1.00938301  0.92826658  0.91146509
   0.10603594 -0.07229540  0.07520920
   0.46763333  0.15893057  0.37425269
  -0.01306143  0.26240054  0.01517688
   0.40967853  0.58808643  0.38266139
   0.53442080  0.20661807  0.14853620
   0.07371174  0.34148134  0.26318312
   0.33035093  0.09041551  0.55738813
  -0.08683604  0.17694657  0.45508581
  -0.11167463  0.05487001  0.34148132
   0.23599479  0.42175967  0.79194256
   0.34362765  0.27802652  0.53439223
   0.54978344  0.45173787  0.79724367
   0.22799931  0.39842131  0.58677325
   0.14138490  0.39604637  0.78267066
   0.27409701  0.06869319 -0.01215637
   0.27301456  0.16273416  0.87593440
   0.40941487  0.84108022 -0.02406170
   0.06284597  0.79838863  0.20958791
  -0.02314278  0.81452980  0.07403037
   0.57596001  0.84916887  0.32512744
   0.61762974  0.89077905  0.06268561
   0.18355624  0.92911222  0.05678931
   0.49131374  0.64416158  0.40877794
  -0.43236409  0.45759642  0.22682279
   0.30141522  0.38782208  0.54352469
   0.39482211  0.87074281  0.78024784
   0.22904201  0.60218200  0.45652305
   0.66538348  1.49938020  0.84679918
   0.50672798  1.16774620  0.63927743
   0.46037456  0.99552108  0.55950039
   0.14201745  0.80044870 -0.06136316
   0.22801913  0.82838954  0.98463413
   0.44091752 -0.05948751 -0.08012077
   1.03294448  0.18182593 -0.01983956
   1.17894806  0.62098323 -0.08393803
   0.67790309  0.34288260  0.44748565
  -0.01590129  0.47922344  0.07862199
   0.68867849  0.79934734 -0.11034273
   0.66809772  0.21234164  0.44201681
   0.41739975  0.13728293  0.47033266
   0.72261473 -0.01213833  0.51618349
   0.93254909  0.36798977  0.84994465
   0.63117842  0.33596482  0.47979628
   0.63129658  0.37621935  1.01748550
   1.36497871  0.64980642  0.49499937
   0.63786804  0.45667718  0.52619927
   0.82262124 -0.10334868  0.89550909
   0.20519198 -0.00581969  0.97847602
   0.46978893  0.72187549  0.20078616
   0.71299951  0.86990339  0.17833111
   0.03539720  0.37822787  0.28028201
   0.98775633  1.13829659  0.22953146
   0.79496236  0.86745209  0.02209195
   0.63490469  0.90365967  0.16557535
   1.03802317  0.97474754  0.17078995
   0.47647778  0.71772413  0.42257084
   0.68222151  0.64088643  0.54444928
   0.98109489  0.84397154  0.73545666
   0.54987611  1.42666262  2.15901123
   0.85091237  0.92501626  0.85280217
   0.87385557  0.84926187  0.65379399
   0.61858762  0.98815929  0.69859418
   0.82735528  0.91506581  0.98353014
   0.42192249  0.43658029  1.06808998
  11.84544170  5.02808303  2.22278346
   2.91750409 -0.65950074  1.46084843
   1.40826404  1.73976627  3.21151608
   3.98011936  2.35885446 -1.35616234
  -7.99980172 -1.67053544 -1.17179129
   4.12564099 -3.59907989  3.57904050
  -0.13433750 -1.06223425 -1.43155540
   1.24436835  0.01418107 -0.82884107
  -0.07748933 -2.13656053 -3.92673731
  10.78988443 11.51081550  2.57145834
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.797175   -0.554299   -2.868639
    -0.000000   27.107986    1.254736
    -0.000000    0.000000   37.052076
   Si   O    H 
    32    64    10
Direct configuration=  4044
   0.11207164  0.30042813  0.01717711
   0.07398688  0.15369274  0.45299285
   0.17937794  0.47052032 -0.03457530
   0.85481075 -0.23123304  0.58458961
   0.12239427 -0.30946365  0.07515169
   0.28314267 -0.04785945  0.90624158
   0.32847774  0.36584161  0.74941594
   0.23312791  0.32883802  0.71140476
   0.09512083  0.76781905  0.07825864
   0.32851773  0.59892913  0.44248117
  -0.00813546  0.91717410  0.00970176
   0.21026555  0.97343812  0.16048730
   0.41559029  0.58297591  0.50841663
   0.54401447  0.90347332  0.95062032
   0.09321843  0.85693344  0.70787235
   0.21664546  0.82320942  0.73218326
   0.32475276 -0.00628693  0.92717799
   0.61710614  0.14684675  0.41633917
   0.80542919  0.46720459  0.16071148
   1.12216876  0.46520922  0.26775532
   0.49259061  0.13107267  0.43836584
   0.87160768  0.23098974  0.90850481
   0.46752267  0.43041634  0.53824985
   0.96412513  0.38328508  0.88967645
   0.44670749  0.65353278 -0.01281955
   0.53218601  0.39075519  0.53981172
   0.64327762  0.84030920  0.09893689
   0.62275797  0.43339613 -0.39861451
   0.43533957  0.62290565  0.53021949
   1.02442690  0.74169006  0.96661199
   0.45328065  0.84355870  0.75018164
   1.00613977  0.92787996  0.91147799
   0.09920532 -0.07498255  0.07381516
   0.46796012  0.15536148  0.37339425
  -0.00627458  0.25989965  0.01537710
   0.40816112  0.58820529  0.38275624
   0.53372164  0.20712987  0.14844644
   0.07021833  0.34085193  0.26277661
   0.33308913  0.09246882  0.55816493
  -0.09783889  0.17639562  0.45427708
  -0.12169567  0.05183205  0.34038627
   0.23337741  0.42029319  0.79368192
   0.34919309  0.27740239  0.53298184
   0.54782146  0.44706571  0.79733429
   0.22936675  0.39577446  0.58839893
   0.16280130  0.39751519  0.78075873
   0.27008267  0.06937548 -0.01277592
   0.27437275  0.16492352  0.87762880
   0.42757048  0.91525858 -0.04556763
   0.06057981  0.79224810  0.21055799
  -0.02579869  0.81375441  0.07495461
   0.58767593  0.84682830  0.33254459
   0.63109768  0.89026185  0.06362788
   0.17980283  0.93085136  0.05223883
   0.48822676  0.64037466  0.40956148
  -0.43262280  0.45706880  0.22734014
   0.28918955  0.38808948  0.54072233
   0.39760875  0.87168851  0.78278617
   0.22979829  0.60680848  0.46035636
   0.66726619  1.50494420  0.84972741
   0.50862472  1.17592858  0.64001898
   0.46539163  0.99445989  0.55626309
   0.13535346  0.80002819 -0.06468110
   0.23712735  0.82889835  0.98757618
   0.43742296 -0.05674507 -0.07770397
   1.03347284  0.18178886 -0.02015632
   1.17636038  0.62086871 -0.08309768
   0.68027743  0.34270231  0.44949175
  -0.01539081  0.48006343  0.07602769
   0.69034474  0.79995448 -0.11196415
   0.67306350  0.21344702  0.44225933
   0.41796260  0.13856516  0.47157144
   0.72887991 -0.01392918  0.51449363
   0.93413953  0.36128462  0.85304912
   0.63857111  0.33757159  0.47854585
   0.62920561  0.37763239  1.01757598
   1.37291172  0.65304367  0.50238343
   0.64975048  0.45900791  0.52486920
   0.81864018 -0.10165521  0.89583907
   0.21236343 -0.00615632  0.97899623
   0.46668809  0.72040517  0.20334690
   0.70210522  0.87136431  0.17595516
   0.04060981  0.37525018  0.28119238
   0.98700074  1.14196516  0.22664229
   0.79976550  0.86987242  0.02116839
   0.63160924  0.90859383  0.16502675
   1.04091682  0.98144313  0.16781963
   0.47305776  0.71996750  0.42018009
   0.68097010  0.64016792  0.54465998
   0.98280115  0.84194611  0.73545925
   0.55639670  1.42570893  2.16257130
   0.85805414  0.92784549  0.85256295
   0.87493920  0.85006796  0.65432682
   0.61984418  0.98700829  0.69998379
   0.82216916  0.91669041  0.98112016
   0.44028277  0.34505153  1.08317694
  11.97255729  4.95745599  2.26387775
   2.98935769 -0.65214683  1.40323343
   1.41432044  1.80711025  3.22517190
   3.94770114  2.35831351 -1.36905649
  -8.13173708 -1.62442573 -1.15641614
   4.23480538 -3.55169848  3.56153995
  -0.21525666 -1.02306687 -1.50868197
   1.21587894  0.02439612 -0.80118728
   0.02486128 -2.18656821 -3.96761048
  10.72394849 11.52351014  2.54589511
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.826111   -0.539533   -2.851727
    -0.000000   27.137932    1.247638
    -0.000000    0.000000   37.152268
   Si   O    H 
    32    64    10
Direct configuration=  4045
   0.11174272  0.30117075  0.01684631
   0.07870518  0.15439793  0.45288943
   0.17912340  0.47141717 -0.03482601
   0.85669077 -0.23234163  0.58452333
   0.11594428 -0.30426010  0.07539997
   0.29783046 -0.04574949  0.90722941
   0.31947934  0.36122589  0.74379150
   0.23265053  0.33412455  0.71773160
   0.08657082  0.76927715  0.08265009
   0.33635767  0.59669673  0.43851139
  -0.01536585  0.91437579  0.00821356
   0.21519498  0.97648608  0.16277003
   0.42036328  0.58108101  0.50572604
   0.54077436  0.90577008  0.94915651
   0.10074667  0.85594190  0.70938963
   0.19367478  0.82207101  0.73115219
   0.32331212 -0.01432537  0.92722140
   0.61480520  0.14954735  0.41867883
   0.79968819  0.46575266  0.16058667
   1.12429043  0.46763815  0.26732890
   0.49407315  0.12923659  0.43556111
   0.87269739  0.23190301  0.90879914
   0.45774234  0.42669805  0.53737522
   0.96442666  0.38383988  0.89153640
   0.44958566  0.65237155 -0.01322217
   0.53246152  0.39479669  0.54038510
   0.64550319  0.83894430  0.09638272
   0.62756791  0.43217692 -0.39598817
   0.42386888  0.62768500  0.53106370
   1.02308425  0.74251786  0.96624129
   0.46312838  0.84414099  0.75264936
   1.00404916  0.92769800  0.91153163
   0.09431527 -0.07756508  0.07317678
   0.46348741  0.15262987  0.37009206
  -0.00172606  0.25584237  0.01549709
   0.40571685  0.58834904  0.38130860
   0.53377966  0.20792875  0.14811314
   0.06673197  0.34012252  0.26294646
   0.33368846  0.09517344  0.55866928
  -0.10976256  0.17737725  0.45285149
  -0.13057713  0.04869900  0.33921361
   0.23350540  0.41909459  0.79526441
   0.35543684  0.27687428  0.53192581
   0.54374308  0.44231555  0.79714179
   0.23663127  0.39736145  0.58392823
   0.18157736  0.39609350  0.77720455
   0.26611785  0.06830096 -0.01418489
   0.27543915  0.16740984  0.87955199
   0.44433374  0.98006136 -0.06228290
   0.05814147  0.78723260  0.21221848
  -0.02816675  0.81369364  0.07357356
   0.59777033  0.84481316  0.33920909
   0.64346069  0.89087034  0.06471993
   0.17372990  0.93382703  0.04749363
   0.48471783  0.63187376  0.41117784
  -0.43287726  0.45695861  0.22831385
   0.28192023  0.38540602  0.54067349
   0.40440325  0.87244539  0.78458453
   0.22968222  0.61258009  0.46517532
   0.66952944  1.50913998  0.85234053
   0.51071691  1.18392028  0.64095860
   0.47066962  0.99285642  0.55310249
   0.13018478  0.79832158 -0.06726359
   0.24067977  0.82913760  0.99023296
   0.42537992 -0.04872910 -0.07783794
   1.03505104  0.18156681 -0.01939006
   1.17585206  0.62169153 -0.08174246
   0.68673794  0.34281858  0.45037270
  -0.01382420  0.48111057  0.07369336
   0.69187314  0.80036832 -0.11327951
   0.67765492  0.21347097  0.44184434
   0.41574545  0.14062283  0.47439454
   0.72972829 -0.01514198  0.51516955
   0.93377970  0.35574456  0.85565256
   0.64328131  0.33987504  0.47816759
   0.62858604  0.37899438  1.01709007
   1.38455786  0.64687727  0.51119920
   0.65696510  0.45771462  0.52445288
   0.81319197 -0.10024614  0.89721546
   0.21679135 -0.00421102  0.98210708
   0.46416842  0.71758284  0.20541721
   0.69261268  0.87373751  0.17320744
   0.04318908  0.36998667  0.28380757
   0.98664698  1.14394019  0.22397615
   0.80975032  0.87221769  0.02031505
   0.62984188  0.91162100  0.16330858
   1.04048412  0.98628051  0.16349138
   0.46762647  0.72375916  0.41829615
   0.67910849  0.63921310  0.54493449
   0.98508627  0.83869484  0.73631648
   0.56692384  1.42570981  2.16560141
   0.86307006  0.93056242  0.85246469
   0.87430913  0.85201870  0.65535796
   0.62064096  0.98590958  0.70119552
   0.81332697  0.91889267  0.97637710
   0.45622327  0.26153174  1.09752325
  12.03941175  4.87910384  2.29236940
   2.98750854 -0.66291957  1.33065012
   1.39433614  1.89877288  3.24384688
   3.92601615  2.33569407 -1.35240655
  -8.29342177 -1.58205834 -1.17149901
   4.29199662 -3.50091729  3.59263638
  -0.22225379 -0.99487463 -1.61052120
   1.26377868  0.07418978 -0.75246661
   0.12352018 -2.27785862 -3.97387821
  10.62201170 11.57009100  2.51595010
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.851616   -0.524872   -2.833819
    -0.000000   27.166982    1.240169
    -0.000000    0.000000   37.247315
   Si   O    H 
    32    64    10
Direct configuration=  4046
   0.11162824  0.30199797  0.01693519
   0.08286910  0.15516891  0.45294045
   0.17878102  0.47193509 -0.03509193
   0.85853033 -0.23314457  0.58446919
   0.11010881 -0.29981749  0.07551767
   0.30582851 -0.04844263  0.90492860
   0.31367861  0.35773571  0.73943711
   0.22960386  0.33819622  0.72246692
   0.07888394  0.77079181  0.08650965
   0.34290587  0.59484587  0.43483534
  -0.02216613  0.91155566  0.00705835
   0.21922947  0.97911722  0.16470477
   0.42413872  0.57841373  0.50278354
   0.53785119  0.90774118  0.94793853
   0.10589112  0.85567474  0.71041557
   0.17445906  0.82034121  0.73066501
   0.32304945 -0.01640764  0.93021242
   0.61363869  0.15209829  0.42073632
   0.79441482  0.46450087  0.16054174
   1.12621465  0.46984950  0.26697148
   0.49458619  0.12756716  0.43313754
   0.87363684  0.23265154  0.90921132
   0.44406338  0.42528038  0.53645464
   0.96453118  0.38463300  0.89368130
   0.45224783  0.65158966 -0.01359017
   0.53759166  0.39653003  0.54095690
   0.64730427  0.83781435  0.09396325
   0.63197980  0.43104853 -0.39370790
   0.42668603  0.62688888  0.53919736
   1.02172283  0.74333146  0.96592496
   0.47158965  0.84466467  0.75485218
   1.00162602  0.92759459  0.91155932
   0.09119029 -0.07984137  0.07334951
   0.45937643  0.15008821  0.36764132
   0.00277288  0.25221301  0.01551741
   0.40440176  0.58821942  0.37996621
   0.53413150  0.20898032  0.14780125
   0.06509328  0.33589068  0.26053515
   0.33527363  0.09790282  0.55926700
  -0.12046260  0.17871253  0.45140266
  -0.13834825  0.04567947  0.33819915
   0.24476573  0.42521021  0.80205078
   0.36087234  0.27609697  0.53084428
   0.53962854  0.43793111  0.79682093
   0.24496222  0.39886328  0.57919548
   0.18715839  0.38708987  0.76854553
   0.26230126  0.06630582 -0.01521241
   0.27620012  0.16967742  0.88116437
   0.47253492  1.05425737 -0.06861409
   0.05637460  0.78275259  0.21382246
  -0.02994588  0.81393246  0.07239196
   0.60687143  0.84279182  0.34528794
   0.65461038  0.89140332  0.06582681
   0.16674397  0.93662026  0.04280169
   0.48015614  0.62435777  0.41251339
  -0.43331191  0.45660726  0.22909176
   0.27373620  0.38292224  0.54132233
   0.41055590  0.87323610  0.78592958
   0.22965376  0.61757004  0.46931511
   0.67122370  1.51277163  0.85473951
   0.51229849  1.19119802  0.64156245
   0.47536894  0.99170827  0.55027439
   0.12576317  0.79687325 -0.06948901
   0.24374967  0.82907210  0.99263810
   0.41068223 -0.05836493 -0.08599220
   1.03680988  0.18134970 -0.01863636
   1.17503238  0.62265839 -0.08063186
   0.69293104  0.34347046  0.44868165
  -0.01268001  0.48211500  0.07172818
   0.69286263  0.80087286 -0.11457512
   0.68154299  0.21337589  0.44142913
   0.41402494  0.14254857  0.47667730
   0.73074247 -0.01595183  0.51588405
   0.93318419  0.34988959  0.85717702
   0.64687628  0.34196115  0.48043500
   0.62819354  0.38022636  1.01661101
   1.37311295  0.65239611  0.50757239
   0.66395213  0.45621499  0.52395833
   0.80894100 -0.09853875  0.89780585
   0.22097771 -0.00171569  0.98491823
   0.46166466  0.71505043  0.20703247
   0.68322897  0.87323728  0.17099743
   0.04392644  0.36886807  0.28872165
   0.98612342  1.14578746  0.22172705
   0.81867851  0.87510339  0.01881199
   0.62906179  0.91695626  0.16154830
   1.04072568  0.99041326  0.15977742
   0.46286139  0.72743772  0.41643230
   0.67692628  0.63814343  0.54519584
   0.98807006  0.83592805  0.73703440
   0.57593346  1.42563081  2.16832423
   0.86743261  0.93286571  0.85304901
   0.87384172  0.85359978  0.65638592
   0.62151420  0.98490337  0.70238348
   0.80526120  0.91996194  0.97279737
   0.47146886  0.18607809  1.11045284
  12.09735359  4.80943880  2.31825175
   2.98714528 -0.67182209  1.26552720
   1.37523152  1.98215529  3.26063758
   3.90562857  2.31573532 -1.33747334
  -8.44130547 -1.54317765 -1.18498178
   4.34424085 -3.45699242  3.61940427
  -0.22510147 -0.96889559 -1.70261152
   1.30324731  0.11888257 -0.70862556
   0.21243434 -2.35913974 -3.97985855
  10.52980000 11.61283166  2.48926661
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.873629   -0.510768   -2.815418
    -0.000000   27.194660    1.232450
    -0.000000    0.000000   37.337258
   Si   O    H 
    32    64    10
Direct configuration=  4047
   0.11101136  0.30276441  0.01691632
   0.08626663  0.15577268  0.45317151
   0.17848662  0.47224635 -0.03543794
   0.86041656 -0.23382703  0.58452970
   0.10470409 -0.29606944  0.07547256
   0.30881139 -0.05347701  0.90028670
   0.31494908  0.35593444  0.73669130
   0.22110763  0.34041188  0.72551486
   0.07139961  0.77228503  0.08986280
   0.34910356  0.59300472  0.43160875
  -0.02892744  0.90890564  0.00591060
   0.22265081  0.98141198  0.16656576
   0.42757563  0.57606005  0.50007198
   0.53573159  0.90931435  0.94677825
   0.10745425  0.85698863  0.71042262
   0.16038049  0.81729729  0.73122765
   0.32415514 -0.01517597  0.93526127
   0.61364872  0.15493444  0.42248997
   0.78946637  0.46346471  0.16042964
   1.12820337  0.47200192  0.26663973
   0.49383843  0.12598409  0.43105411
   0.87486634  0.23336468  0.90972869
   0.42860889  0.42483322  0.53564440
   0.96445599  0.38539101  0.89573041
   0.45430352  0.65072503 -0.01391203
   0.54535983  0.39714762  0.54175717
   0.64871065  0.83674736  0.09159598
   0.63605896  0.43015693 -0.39171990
   0.43015102  0.62576239  0.54771703
   1.02099302  0.74417908  0.96570983
   0.47877039  0.84514187  0.75692278
   0.99955199  0.92728001  0.91160546
   0.09039120 -0.08156887  0.07373756
   0.45588621  0.14754928  0.36560247
   0.00760961  0.24903886  0.01538788
   0.40462060  0.58789488  0.37893314
   0.53204910  0.21000949  0.14763001
   0.06363363  0.33200769  0.25771349
   0.33642124  0.09992874  0.56002047
  -0.12969660  0.17980973  0.45011976
  -0.14627802  0.04304093  0.33696742
   0.25273730  0.43072270  0.80800424
   0.36534172  0.27541870  0.52970181
   0.53491216  0.43146287  0.79415080
   0.25418374  0.39979341  0.57420186
   0.19417164  0.37884437  0.76109446
   0.25710120  0.06322654 -0.01600192
   0.27731420  0.17189187  0.88250038
   0.49786689  1.12110138 -0.07446655
   0.05491040  0.77861415  0.21543492
  -0.03179231  0.81407234  0.07146049
   0.61472024  0.84088793  0.35078884
   0.66448400  0.89155533  0.06700900
   0.15896625  0.93872563  0.03855350
   0.47492700  0.61781968  0.41375083
  -0.43431556  0.45616865  0.22949526
   0.26486696  0.38077867  0.54266013
   0.41684984  0.87370376  0.78717387
   0.22938776  0.62175198  0.47290061
   0.67337935  1.51628605  0.85688793
   0.51412146  1.19778632  0.64205898
   0.47993739  0.99102860  0.54779113
   0.12138249  0.79518886 -0.07145076
   0.24606289  0.82901733  0.99450363
   0.40167197 -0.06791051 -0.09334631
   1.03820019  0.18132764 -0.01787124
   1.17447202  0.62369223 -0.07941445
   0.69652674  0.34412599  0.44648685
  -0.01154005  0.48294957  0.06992264
   0.69394850  0.80131807 -0.11593926
   0.68443829  0.21315751  0.44079584
   0.41269399  0.14388863  0.47870685
   0.73244713 -0.01656496  0.51655775
   0.93263231  0.34477074  0.85840835
   0.65179810  0.34424889  0.48321937
   0.62818046  0.38125097  1.01642126
   1.36150243  0.65851156  0.50282074
   0.67030819  0.45488760  0.52373118
   0.80608505 -0.09671936  0.89790469
   0.22569413  0.00224147  0.98717155
   0.45945487  0.71321187  0.20852013
   0.67275865  0.87137172  0.16867609
   0.04506549  0.36834376  0.29368594
   0.98595641  1.14737957  0.21973695
   0.82695366  0.87823941  0.01649181
   0.63059130  0.92298070  0.16009600
   1.04176999  0.99425555  0.15639101
   0.45855745  0.73095411  0.41497400
   0.67479785  0.63721949  0.54554396
   0.99099403  0.83330956  0.73751599
   0.58466896  1.42588118  2.17102445
   0.87155761  0.93490588  0.85406133
   0.87270504  0.85484372  0.65706404
   0.62231237  0.98394309  0.70347372
   0.79850674  0.92023236  0.97030450
   0.48750274  0.11791412  1.12225576
  12.15115829  4.74551555  2.34163365
   2.97596332 -0.68645674  1.21137333
   1.35786337  2.05754116  3.27451375
   3.88614466  2.29853405 -1.32351087
  -8.55200784 -1.46823877 -1.15981675
   4.39224218 -3.41796318  3.64356652
  -0.21619069 -0.94476402 -1.78402954
   1.34008862  0.15994291 -0.67001310
   0.29115417 -2.43185199 -3.98612406
  10.44417903 11.64916926  2.46624127
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.895754   -0.496010   -2.798675
    -0.000000   27.225917    1.223669
    -0.000000    0.000000   37.425857
   Si   O    H 
    32    64    10
Direct configuration=  4048
   0.11111063  0.30381169  0.01662724
   0.09174265  0.15615331  0.45354558
   0.17776375  0.47257621 -0.03603182
   0.86106527 -0.23435753  0.58469847
   0.09592438 -0.28840330  0.07588888
   0.31155561 -0.05802296  0.89575884
   0.31923531  0.35571935  0.73525342
   0.20737547  0.33873773  0.72467944
   0.06559159  0.77202062  0.09235294
   0.35607894  0.59094559  0.42990085
  -0.03315397  0.90677546  0.00481259
   0.22775239  0.98324021  0.16836866
   0.42820599  0.57573632  0.49833454
   0.53319030  0.91076094  0.94504583
   0.11149920  0.85919854  0.70762501
   0.15213209  0.81444602  0.73205633
   0.32271213 -0.01173323  0.94204356
   0.61193427  0.15672441  0.42262833
   0.78452150  0.46256390  0.15989165
   1.13076767  0.47477154  0.26674541
   0.49122774  0.12539129  0.42844385
   0.87508248  0.23412723  0.90965647
   0.42591885  0.42762133  0.53457330
   0.96463567  0.38589655  0.89751055
   0.45579621  0.64948309 -0.01419071
   0.54293870  0.39502084  0.54350155
   0.64977149  0.83558316  0.09049903
   0.63958973  0.42942843 -0.39053219
   0.43366147  0.62268602  0.55307235
   1.01957083  0.74460303  0.96533423
   0.48488911  0.84513010  0.75875077
   0.99746892  0.92712049  0.91175962
   0.08927225 -0.08366690  0.07473466
   0.45640078  0.14406210  0.36554786
   0.01157557  0.24494833  0.01596512
   0.39988126  0.58776054  0.37935628
   0.52928325  0.20870172  0.14690540
   0.05831263  0.32718791  0.25420456
   0.33686963  0.10267510  0.56087956
  -0.13381735  0.17917248  0.44917563
  -0.15272152  0.04050257  0.33635970
   0.25951047  0.43515517  0.81300917
   0.37119475  0.27441748  0.52874446
   0.52904275  0.42482681  0.79103283
   0.26136969  0.40062569  0.57047701
   0.19931074  0.37559286  0.75802545
   0.25444359  0.06131387 -0.01882544
   0.27425492  0.17430887  0.88347737
   0.52469270  1.18108376 -0.07866060
   0.05382452  0.77503746  0.21859794
  -0.02776767  0.81196915  0.07007614
   0.62223023  0.83907770  0.35584441
   0.67684213  0.89284366  0.06750623
   0.14474945  0.93750127  0.03637356
   0.47593813  0.61196696  0.41260004
  -0.43492507  0.45577674  0.22953205
   0.25348254  0.37621046  0.54424599
   0.42262067  0.87419030  0.78834125
   0.23239179  0.62400372  0.47533456
   0.67857037  1.51997312  0.85957017
   0.51402617  1.20310290  0.64226911
   0.48197729  0.99063928  0.54557129
   0.11891815  0.79317422 -0.07338103
   0.24735342  0.82956274  0.99604547
   0.39755565 -0.07795216 -0.09946024
   1.04219119  0.18116054 -0.01656794
   1.17389073  0.62522996 -0.07833157
   0.69547802  0.34470505  0.44773800
  -0.00987405  0.48344830  0.06855772
   0.69401076  0.80164145 -0.11730382
   0.68159563  0.21574150  0.44081021
   0.41028611  0.14461155  0.48085575
   0.73601713 -0.01654457  0.51661376
   0.93279666  0.34036431  0.86004581
   0.66062215  0.34669319  0.48265847
   0.62774985  0.38193524  1.01627161
   1.35122624  0.66792058  0.49685129
   0.67603451  0.45478868  0.52326802
   0.80469826 -0.09511420  0.89700204
   0.23060999  0.00613259  0.98613318
   0.45652097  0.71152278  0.20941836
   0.66180056  0.87118570  0.16539932
   0.04560267  0.36702430  0.29642529
   0.98665683  1.14900149  0.21800219
   0.83101134  0.87966804  0.01526899
   0.63183327  0.92685035  0.15834007
   1.03986665  0.99803677  0.15249697
   0.45282033  0.73373872  0.41289012
   0.67444619  0.63724916  0.54586327
   0.97831694  0.82877470  0.74127821
   0.59264235  1.42597821  2.17368380
   0.87262748  0.93630263  0.85519117
   0.87681620  0.85549604  0.65827975
   0.62294989  0.98317705  0.70435876
   0.79387031  0.92127559  0.96982444
   0.50311608  0.05851264  1.13366160
  12.19431956  4.69408446  2.34313241
   3.02238313 -0.68477805  1.19915197
   1.38659215  2.10982452  3.29547100
   3.97925557  2.31041495 -1.29756868
  -8.68362710 -1.39436048 -1.13613908
   4.43457830 -3.41088839  3.68306790
  -0.25976419 -0.93584364 -1.87339115
   1.37547123  0.21910894 -0.61926796
   0.37730563 -2.48803098 -3.99383130
  10.32884075 11.68742158  2.50036757
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.919843   -0.481886   -2.784011
    -0.000000   27.259438    1.213311
    -0.000000    0.000000   37.512206
   Si   O    H 
    32    64    10
Direct configuration=  4049
   0.11041610  0.30435354  0.01581650
   0.09842546  0.15622820  0.45385725
   0.17720113  0.47326222 -0.03658840
   0.86099379 -0.23477473  0.58507128
   0.08379611 -0.27715063  0.07679900
   0.31404631 -0.05633196  0.89662479
   0.32604252  0.35633734  0.73459034
   0.20008124  0.34126834  0.72759104
   0.05925088  0.77185198  0.09343441
   0.36436267  0.58796563  0.42846084
  -0.03601978  0.90528071  0.00382253
   0.23332839  0.98481692  0.16999001
   0.42917253  0.57542259  0.49685486
   0.53154099  0.91198915  0.94337346
   0.11330859  0.85978277  0.70481141
   0.14747160  0.81289987  0.73240310
   0.32238626 -0.01344746  0.94264253
   0.60792503  0.15585353  0.42127283
   0.77822572  0.46167549  0.15920867
   1.13356188  0.47748500  0.26721433
   0.49146331  0.12572552  0.42582811
   0.87433640  0.23467757  0.90901360
   0.43257851  0.43126824  0.53331358
   0.96479885  0.38608552  0.89865856
   0.45745621  0.64820614 -0.01470520
   0.53211339  0.39092012  0.54497455
   0.65021066  0.83411479  0.09031594
   0.64268285  0.42894089 -0.38946984
   0.43544465  0.61821228  0.55798801
   1.01764550  0.74473244  0.96488736
   0.49043126  0.84459251  0.76044030
   0.99549353  0.92691462  0.91208710
   0.08650868 -0.08701783  0.07476953
   0.45797962  0.14138184  0.36668861
   0.01581322  0.24147864  0.01768358
   0.39115939  0.58582694  0.37976286
   0.52780272  0.20418304  0.14599633
   0.05160272  0.32394664  0.25029016
   0.33812059  0.10588897  0.56184228
  -0.13328850  0.17716729  0.44862589
  -0.15878908  0.03801803  0.33579260
   0.26402184  0.43645863  0.81534896
   0.37909059  0.27243156  0.52804274
   0.52061828  0.41812053  0.78718042
   0.26686055  0.40212574  0.56903332
   0.20662183  0.36763108  0.75111869
   0.25194901  0.06210534 -0.02231041
   0.26579452  0.17604470  0.88426059
   0.55399355  1.23513546 -0.08164135
   0.05311395  0.77164252  0.22266019
  -0.01409866  0.80597709  0.06894397
   0.62819571  0.83690424  0.36048570
   0.69157598  0.89489429  0.06732522
   0.12961446  0.93597680  0.03480097
   0.48235324  0.60868147  0.41265397
  -0.43466124  0.45528488  0.22884526
   0.24076611  0.37011550  0.54430056
   0.42909748  0.87520369  0.78963229
   0.24667059  0.63152422  0.47950810
   0.68485012  1.52336438  0.86242230
   0.51374872  1.20808594  0.64233115
   0.48089940  0.99022921  0.54379935
   0.11846835  0.79097944 -0.07544343
   0.24759685  0.83042642  0.99735751
   0.39654225 -0.08652514 -0.10322422
   1.04901264  0.18066675 -0.01513074
   1.17095277  0.62668716 -0.07675457
   0.69261619  0.34498418  0.45096714
  -0.00821320  0.48354268  0.06710457
   0.69287373  0.80155593 -0.11861916
   0.67422607  0.22083200  0.44190963
   0.40591998  0.14499414  0.48291303
   0.74112047 -0.01595162  0.51588949
   0.93389643  0.33769442  0.86243852
   0.67002642  0.35019430  0.48048684
   0.62629558  0.38302254  1.01623508
   1.34349168  0.67160053  0.48885878
   0.68189153  0.45558809  0.52243665
   0.80584736 -0.09394407  0.89562628
   0.23244888  0.00754207  0.98559482
   0.45354845  0.70987481  0.20997238
   0.65181344  0.87251588  0.16147780
   0.04711850  0.36489323  0.29810419
   0.98664647  1.15029748  0.21623110
   0.83138545  0.87952837  0.01529688
   0.63215219  0.92876826  0.15652881
   1.03922340  1.00064040  0.14832477
   0.44967131  0.73626056  0.41132341
   0.67622535  0.63784411  0.54560099
   0.96362474  0.82502242  0.74524356
   0.60137680  1.42680626  2.17662718
   0.87096450  0.93729371  0.85593753
   0.88309192  0.85542443  0.65902227
   0.62339852  0.98269948  0.70505533
   0.79237117  0.92255288  0.97108251
   0.51562219  0.00639570  1.14452816
  12.16910055  4.65869172  2.31989818
   3.09049674 -0.69940040  1.21420733
   1.45307404  2.18402277  3.36553152
   3.87839926  2.30471636 -1.28939217
  -8.78118789 -1.32041962 -1.11332718
   4.48079151 -3.39746629  3.69339090
  -0.28163472 -0.90876134 -1.95142713
   1.35296677  0.27423321 -0.61340118
   0.44610784 -2.54798697 -3.99978214
   9.98411678 11.78259802  2.54673135
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.941401   -0.468792   -2.770328
    -0.000000   27.289937    1.203620
    -0.000000    0.000000   37.592774
   Si   O    H 
    32    64    10
Direct configuration=  4050
   0.10958019  0.30470072  0.01493181
   0.10466573  0.15634174  0.45404469
   0.17659118  0.47391487 -0.03709857
   0.86104326 -0.23496373  0.58531030
   0.07339407 -0.26832576  0.07710584
   0.31438773 -0.05393170  0.89724961
   0.33387521  0.35689668  0.73394128
   0.19091671  0.33935171  0.72664842
   0.05426610  0.77252606  0.09519048
   0.37163949  0.58527274  0.42710081
  -0.03854275  0.90374472  0.00288290
   0.23860394  0.98631264  0.17136035
   0.43021394  0.57497641  0.49565460
   0.53031915  0.91308572  0.94189931
   0.11430470  0.86133411  0.70181386
   0.14386317  0.81051036  0.73323333
   0.32251919 -0.01492565  0.94335354
   0.60553865  0.15551284  0.42023427
   0.77248475  0.46082321  0.15862365
   1.13564347  0.47978891  0.26779024
   0.49068698  0.12599281  0.42326295
   0.87383618  0.23524090  0.90848438
   0.43743224  0.43518141  0.53213624
   0.96498967  0.38601228  0.89964734
   0.45898999  0.64731841 -0.01527866
   0.52346700  0.38696993  0.54646069
   0.65120190  0.83317495  0.09012877
   0.64565460  0.42848663 -0.38858209
   0.43734313  0.61447581  0.56240572
   1.01619398  0.74495574  0.96458131
   0.49521444  0.84408363  0.76206473
   0.99324668  0.92670754  0.91230190
   0.08554233 -0.08952554  0.07411495
   0.45907870  0.13864448  0.36803395
   0.02037391  0.23788203  0.01932652
   0.38221748  0.58360022  0.37953141
   0.52609543  0.20014518  0.14540402
   0.04563030  0.32115480  0.24707034
   0.33966243  0.10887249  0.56278602
  -0.13236978  0.17522253  0.44810842
  -0.16411299  0.03569909  0.33514111
   0.26789830  0.43757657  0.81735703
   0.38694619  0.27056597  0.52752723
   0.51261601  0.41186064  0.78368020
   0.27114137  0.40625777  0.56974363
   0.21426598  0.36736189  0.75146496
   0.24858060  0.06260407 -0.02542681
   0.25829739  0.17730968  0.88516709
   0.58037102  1.28371514 -0.08415528
   0.05250263  0.76872682  0.22631377
  -0.00288231  0.80148617  0.06700699
   0.63265490  0.83482976  0.36460033
   0.70480400  0.89616915  0.06745377
   0.11403013  0.93422441  0.03410694
   0.48859866  0.60637425  0.41325837
  -0.43459309  0.45440361  0.22769135
   0.22946846  0.36160629  0.54237863
   0.43558248  0.87600521  0.79065436
   0.25977111  0.63745926  0.48337991
   0.69014277  1.52608387  0.86512994
   0.51359055  1.21234232  0.64245554
   0.47971712  0.98986398  0.54261289
   0.11806962  0.78882909 -0.07703492
   0.24762291  0.83117770  0.99837774
   0.39942903 -0.09597333 -0.10663944
   1.05444341  0.18074109 -0.01394034
   1.16870700  0.62794941 -0.07528880
   0.69219711  0.34447204  0.44946749
  -0.00615710  0.48340381  0.06582136
   0.69217222  0.80169347 -0.11963403
   0.66701197  0.22516547  0.44287379
   0.40144476  0.14518376  0.48449830
   0.74596903 -0.01541545  0.51519727
   0.93568027  0.33549935  0.86502329
   0.67617057  0.35424764  0.48308034
   0.62484256  0.38403327  1.01619285
   1.33646997  0.67566059  0.48169474
   0.68703309  0.45591538  0.52186174
   0.80755767 -0.09279574  0.89389811
   0.23547683  0.00917166  0.98510624
   0.45107207  0.70832063  0.21037812
   0.64133943  0.87452762  0.15783996
   0.04903880  0.36281853  0.29915707
   0.98738881  1.15139752  0.21467931
   0.83140142  0.87977773  0.01484355
   0.63401235  0.92955427  0.15515421
   1.03917715  1.00310717  0.14458710
   0.44658183  0.73796587  0.41003468
   0.67767287  0.63805011  0.54519513
   0.95053783  0.82168627  0.74869796
   0.60923410  1.42787016  2.17957405
   0.86969915  0.93793608  0.85720437
   0.88874110  0.85501054  0.65953123
   0.62357537  0.98202066  0.70557616
   0.79185153  0.92330274  0.97280982
   0.52677675 -0.04081904  1.15445422
  12.14808322  4.62554260  2.29905762
   3.14464944 -0.70956801  1.23130655
   1.51426156  2.25455814  3.42893875
   3.78907108  2.30039722 -1.28217827
  -8.87201941 -1.25640740 -1.09103854
   4.52256051 -3.38553679  3.70303262
  -0.30057051 -0.88379383 -2.02130115
   1.33298894  0.32443414 -0.60864680
   0.50824036 -2.60171258 -4.00478220
   9.66818313 11.86750943  2.58985514
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.961428   -0.455773   -2.758051
    -0.000000   27.322233    1.195606
    -0.000000    0.000000   37.672275
   Si   O    H 
    32    64    10
Direct configuration=  4051
   0.10774057  0.30432017  0.01396003
   0.11148603  0.15626521  0.45406540
   0.17525215  0.47482834 -0.03746613
   0.86191897 -0.23567535  0.58546739
   0.06493082 -0.26710153  0.07166116
   0.31997965 -0.05523657  0.89729073
   0.33357700  0.35473093  0.73135751
   0.18248640  0.32565539  0.71422105
   0.04316329  0.78565634  0.10038359
   0.37800742  0.58353120  0.42773043
  -0.04149411  0.90160109  0.00226068
   0.24130090  0.98764355  0.17227816
   0.42923935  0.57533187  0.49350915
   0.53021620  0.91393074  0.94076776
   0.11489131  0.85932268  0.70058296
   0.13806079  0.81150616  0.73194085
   0.32838892 -0.01768151  0.94248768
   0.60389996  0.15394278  0.41922625
   0.76531146  0.45951291  0.15868490
   1.13686126  0.48038573  0.26811377
   0.49452173  0.12695825  0.42510135
   0.87177771  0.23481988  0.90855639
   0.44417039  0.43618227  0.53279955
   0.96425308  0.38437732  0.89987186
   0.45896658  0.64577065 -0.01613381
   0.51302731  0.38473090  0.54580179
   0.65282364  0.83297595  0.08990178
   0.64972860  0.42794405 -0.38693230
   0.43812913  0.61163453  0.56709732
   1.01289063  0.74584710  0.96519824
   0.49868112  0.84287350  0.76349536
   0.99311364  0.92635780  0.91295775
   0.07988447 -0.09389357  0.07103925
   0.45393357  0.13687308  0.36220121
   0.02498627  0.23673344  0.02223816
   0.37811273  0.58259491  0.38182479
   0.52460994  0.19631277  0.14487484
   0.04792655  0.31837386  0.24399923
   0.34158789  0.11145907  0.56381097
  -0.13323157  0.17277205  0.44754750
  -0.16956296  0.03343935  0.33442833
   0.27231086  0.43784012  0.81843937
   0.39364914  0.26928816  0.52669612
   0.50894953  0.40741978  0.78208381
   0.27840660  0.40763717  0.56766189
   0.23054026  0.39222169  0.77513723
   0.24223333  0.06334856 -0.02776370
   0.24935175  0.17782880  0.88561228
   0.60601841  1.32610719 -0.08569475
   0.05101248  0.76685036  0.22923984
   0.01799223  0.79315849  0.06640500
   0.63447688  0.83231679  0.36840458
   0.71590369  0.89625184  0.06779788
   0.10782401  0.93474422  0.03529888
   0.49209710  0.60421565  0.41303005
  -0.43333594  0.45360814  0.22564353
   0.22183336  0.35659638  0.54234637
   0.44301875  0.87718140  0.79194203
   0.27912162  0.64306113  0.48545535
   0.69579268  1.52790080  0.86785114
   0.51703059  1.21731609  0.64342917
   0.47855529  0.99007452  0.54126209
   0.11569122  0.78867264 -0.07711921
   0.24678429  0.83262385  0.99986478
   0.38737441 -0.09526457 -0.10791881
   1.05891093  0.17942114 -0.01363866
   1.16934519  0.62712230 -0.07337917
   0.69119224  0.34263515  0.44461633
  -0.00287817  0.48320274  0.06450486
   0.69062161  0.80205205 -0.12055982
   0.65597759  0.22831685  0.44357654
   0.39555212  0.14528566  0.48567348
   0.74922972 -0.01448042  0.51426538
   0.93823060  0.33613104  0.86837428
   0.67829397  0.35865206  0.48876027
   0.61707674  0.38628595  1.01509188
   1.32903184  0.67588626  0.47534061
   0.68742546  0.45536556  0.52280441
   0.80843434 -0.09178575  0.89323989
   0.23264122  0.00985858  0.98634147
   0.44852180  0.70695416  0.21078599
   0.63404186  0.87371145  0.15479063
   0.05169481  0.36084980  0.30048067
   0.98767505  1.15184543  0.21346674
   0.82876676  0.87764770  0.01583470
   0.63276891  0.93202118  0.15340783
   1.04401758  1.00388913  0.14111834
   0.44395812  0.73953418  0.40831323
   0.67878530  0.63882002  0.54418156
   0.93835407  0.81848757  0.75116472
   0.61972106  1.42994903  2.18239781
   0.86495140  0.93896903  0.85709494
   0.89906689  0.85411278  0.66142840
   0.62447437  0.98104167  0.70582552
   0.79418003  0.92409345  0.97395481
   0.53702694 -0.08243361  1.16340616
  12.13220257  4.61931744  2.28727197
   3.08497578 -0.69593412  1.25435541
   1.60762256  2.35191024  3.49398304
   3.63878755  2.28948003 -1.31196602
  -8.91015149 -1.21090595 -1.12105812
   4.52852067 -3.36577647  3.67289539
  -0.22950119 -0.80226686 -2.10465743
   1.33654692  0.36134971 -0.58986056
   0.68751974 -2.66949953 -3.99235123
   9.34472051 11.95159196  2.64553490
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.979412   -0.443324   -2.745751
    -0.000000   27.350646    1.188537
    -0.000000    0.000000   37.746968
   Si   O    H 
    32    64    10
Direct configuration=  4052
   0.10534256  0.30374285  0.01318163
   0.11763367  0.15634232  0.45390003
   0.17411632  0.47550550 -0.03781960
   0.86279998 -0.23632926  0.58562333
   0.05763847 -0.26642797  0.06670169
   0.32385344 -0.05573875  0.89716687
   0.33307716  0.35275264  0.72909963
   0.17528364  0.31354587  0.70311587
   0.03511738  0.79732775  0.10806251
   0.38384656  0.58190951  0.42830570
  -0.04398088  0.89954692  0.00163401
   0.24330556  0.98902027  0.17308487
   0.42877078  0.57564548  0.49159264
   0.52993357  0.91483737  0.93970105
   0.11505305  0.85800539  0.69902284
   0.13330807  0.81186293  0.73112269
   0.33374647 -0.01993186  0.94175536
   0.60386454  0.15337447  0.41823192
   0.75852781  0.45825092  0.15878070
   1.13831045  0.48103923  0.26847160
   0.49612897  0.12746496  0.42689557
   0.87044516  0.23458967  0.90860653
   0.44933952  0.43762198  0.53324205
   0.96337683  0.38271142  0.89990824
   0.45908034  0.64427171 -0.01707549
   0.50490222  0.38199488  0.54552203
   0.65472066  0.83302706  0.08967772
   0.65288791  0.42766917 -0.38558191
   0.43930488  0.60916498  0.57107533
   1.00990776  0.74676792  0.96555564
   0.50160700  0.84198723  0.76469137
   0.99265818  0.92618057  0.91356392
   0.07578797 -0.09714454  0.06765187
   0.44924053  0.13516708  0.35715769
   0.02996439  0.23542097  0.02466299
   0.37331866  0.58169932  0.38341600
   0.52366744  0.19271993  0.14455484
   0.03981007  0.32077279  0.23792076
   0.34380246  0.11373742  0.56479926
  -0.13381195  0.17056462  0.44707575
  -0.17395708  0.03165680  0.33392234
   0.27598849  0.43748418  0.81880741
   0.39945345  0.26830645  0.52582670
   0.50511830  0.40336522  0.78058411
   0.28281952  0.40845621  0.56559804
   0.24603972  0.41526845  0.79703194
   0.23614445  0.06336358 -0.02952657
   0.24098569  0.17834886  0.88593553
   0.62904201  1.36444758 -0.08705979
   0.04936946  0.76524769  0.23194121
   0.03359914  0.78689106  0.06108643
   0.63590610  0.82983825  0.37178338
   0.72575429  0.89598164  0.06815089
   0.10041589  0.93443484  0.03679165
   0.49655746  0.60281721  0.41315308
  -0.43116321  0.45243202  0.22303810
   0.21717988  0.35253658  0.54286029
   0.45050248  0.87787682  0.79311038
   0.29237460  0.64271988  0.48944671
   0.70144874  1.52923769  0.87023062
   0.51963786  1.22199184  0.64415099
   0.47745953  0.99011564  0.54003399
   0.11283135  0.78861106 -0.07745748
   0.24609332  0.83413742  1.00124888
   0.37844931 -0.09596648 -0.10943337
   1.06310205  0.17883092 -0.01301541
   1.16990323  0.62634947 -0.07155759
   0.68947546  0.34157718  0.44136745
  -0.00007021  0.48328274  0.06304166
   0.68913970  0.80253012 -0.12136369
   0.64554144  0.23079048  0.44418759
   0.39025414  0.14543722  0.48684282
   0.75222264 -0.01381767  0.51336309
   0.94079157  0.33710514  0.87163227
   0.68239233  0.36242530  0.49232871
   0.61058879  0.38801765  1.01410109
   1.32579581  0.68136032  0.46762134
   0.68779660  0.45501341  0.52368526
   0.81117893 -0.09049521  0.89239413
   0.23067238  0.01088353  0.98725791
   0.44622920  0.70561981  0.21117216
   0.62781338  0.87352095  0.15192632
   0.05457889  0.35949493  0.30163278
   0.98836468  1.15213025  0.21221540
   0.82485563  0.87626868  0.01622718
   0.63322344  0.93406318  0.15079265
   1.04859584  1.00447678  0.13813866
   0.44151641  0.74100304  0.40673517
   0.68013250  0.63939982  0.54352079
   0.92757347  0.81556186  0.75325134
   0.62782802  1.43232080  2.18535641
   0.85918723  0.93950755  0.85742827
   0.90839450  0.85324082  0.66322245
   0.62536186  0.98064620  0.70604626
   0.79788363  0.92428649  0.97575442
   0.54419882 -0.12065327  1.17234728
  12.11642273  4.61358356  2.27611350
   3.19993305 -0.76213523  1.32998552
   1.66463852  2.43499069  3.55729014
   3.50133818  2.27795875 -1.33970746
  -8.94113066 -1.17123595 -1.14175905
   4.53717410 -3.34914027  3.64540989
  -0.16395573 -0.72792593 -2.17912890
   1.33919316  0.39512152 -0.57304545
   0.84346557 -2.72756225 -3.98042783
   9.05181032 12.02768572  2.69647758
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    13.998535   -0.429896   -2.733599
    -0.000000   27.379923    1.182523
    -0.000000    0.000000   37.821019
   Si   O    H 
    32    64    10
Direct configuration=  4053
   0.10290985  0.30167727  0.01201640
   0.12193035  0.15630563  0.45362948
   0.17397851  0.47629703 -0.03789172
   0.86338765 -0.23699959  0.58579939
   0.05037074 -0.26351012  0.06085788
   0.32215893 -0.05604351  0.89545701
   0.33385725  0.35177996  0.72773168
   0.16689818  0.30209546  0.69282964
   0.02753069  0.80894843  0.11456422
   0.38878484  0.58075894  0.43194391
  -0.04655853  0.89695509  0.00054322
   0.24267828  0.99046362  0.17335602
   0.42580899  0.57587969  0.48712497
   0.53076108  0.91541767  0.93873136
   0.11115981  0.85595964  0.69875376
   0.12350999  0.81474308  0.72912594
   0.34459687 -0.02450360  0.93948197
   0.60294892  0.15262125  0.41768864
   0.75308307  0.45747119  0.15910792
   1.13990574  0.48099819  0.26866280
   0.49759919  0.12721639  0.42803700
   0.87013150  0.23332321  0.90910130
   0.45252475  0.43721857  0.53432742
   0.96233324  0.38130926  0.89976421
   0.45738245  0.64223570 -0.01818305
   0.49507882  0.38121232  0.54405090
   0.65708017  0.83288471  0.08839496
   0.65590405  0.42731710 -0.38493967
   0.43985202  0.60673599  0.57527168
   1.00673460  0.74714167  0.96590004
   0.50346739  0.84086633  0.76575187
   0.99483288  0.92575223  0.91480532
   0.07304605 -0.09699646  0.06350790
   0.44652125  0.13268813  0.35281931
   0.03489188  0.23462896  0.02677808
   0.37209907  0.58211246  0.38621174
   0.52294985  0.18921676  0.14421255
   0.03344614  0.32414756  0.23374570
   0.34660030  0.11614394  0.56566443
  -0.13831308  0.16938117  0.44635552
  -0.17742040  0.03026314  0.33323287
   0.28138179  0.43882843  0.82060520
   0.40514448  0.26669186  0.52486253
   0.49981782  0.39945002  0.77892529
   0.29180284  0.40785244  0.56211976
   0.25937020  0.43367746  0.81448999
   0.22989078  0.06142349 -0.03058936
   0.23248376  0.17866493  0.88654578
   0.64965479  1.39867031 -0.08825949
   0.04747746  0.76449606  0.23432384
   0.05070605  0.77460133  0.05974489
   0.63735962  0.82764799  0.37505849
   0.73345818  0.89542716  0.06899745
   0.10229653  0.93592299  0.04029164
   0.49914444  0.60173406  0.41227991
  -0.43030337  0.45290979  0.22202711
   0.21229563  0.35065746  0.54339299
   0.45872937  0.87871716  0.79391983
   0.30681865  0.64445285  0.49086983
   0.70766919  1.53045752  0.87239014
   0.52171343  1.22896125  0.64563837
   0.47584803  0.99011879  0.53902717
   0.10991896  0.78779328 -0.07781009
   0.24454701  0.83520715  1.00325953
   0.37261726 -0.09051425 -0.10555356
   1.06517360  0.18119685 -0.01218211
   1.17269949  0.62649264 -0.06981462
   0.68505414  0.33980431  0.43843236
   0.00259062  0.48335257  0.06190478
   0.68703841  0.80355155 -0.12233557
   0.64484861  0.23515361  0.44507231
   0.38537492  0.14610265  0.48890679
   0.75349700 -0.01309412  0.51221507
   0.94218574  0.33796251  0.87387836
   0.68631221  0.36531618  0.49528366
   0.60401303  0.38972353  1.01354086
   1.32333607  0.68152507  0.46128395
   0.68723511  0.45580637  0.52250293
   0.81049406 -0.08851805  0.89255608
   0.22568604  0.01262147  0.98930257
   0.44329424  0.70408325  0.21178238
   0.61715703  0.87817403  0.15199497
   0.05608062  0.35806605  0.30153153
   0.99019401  1.15104021  0.21178549
   0.81485567  0.87454550  0.01609057
   0.62966517  0.93015324  0.14899664
   1.05701132  1.00363165  0.13577260
   0.43976792  0.74258960  0.40505576
   0.68303934  0.64033871  0.54219098
   0.92498213  0.81276105  0.75270528
   0.63455267  1.43187423  2.18639498
   0.85075766  0.93938863  0.85737502
   0.92512207  0.85225393  0.66712117
   0.62490746  0.98029593  0.70611342
   0.80005508  0.92363070  0.97530473
   0.55878195 -0.15277610  1.17874459
  12.12713574  4.61823244  2.27669897
   3.25060753 -0.83715054  1.37107800
   1.78119216  2.51896197  3.67667287
   3.39341104  2.21455501 -1.37646444
  -8.97215428 -1.12507774 -1.17043119
   4.53179989 -3.33791990  3.60536846
  -0.10293119 -0.64925284 -2.25553803
   1.38044976  0.44229116 -0.52273980
   1.00818353 -2.79801894 -3.96179429
   8.82861477 12.04757390  2.73958949
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    14.038865   -0.405597   -2.707084
    -0.000000   27.406635    1.181493
    -0.000000    0.000000   37.893340
   Si   O    H 
    32    64    10
Direct configuration=  4054
   0.10086981  0.29972724  0.01099358
   0.12551920  0.15627376  0.45336788
   0.17370831  0.47720704 -0.03788962
   0.86405186 -0.23747245  0.58594152
   0.04326813 -0.27053485  0.05583426
   0.31559052 -0.05286969  0.89361915
   0.33432329  0.35092844  0.72655315
   0.15942857  0.29181503  0.68363748
   0.02085493  0.81948123  0.12050646
   0.39343567  0.57961596  0.43515218
  -0.04896265  0.89447119 -0.00050083
   0.24201853  0.99173951  0.17367986
   0.42354321  0.57585772  0.48340128
   0.53192830  0.91593428  0.93780010
   0.10785548  0.85525495  0.69776821
   0.11524885  0.81639689  0.72809341
   0.35514876 -0.02843811  0.93777803
   0.60371509  0.15254301  0.41705357
   0.74808567  0.45689060  0.15955077
   1.14118257  0.48067409  0.26894826
   0.49733789  0.12674062  0.42915765
   0.87020924  0.23218819  0.90946552
   0.45454308  0.43791869  0.53493142
   0.96132429  0.38081252  0.89992212
   0.45615330  0.64063187 -0.01929436
   0.48704856  0.37948730  0.54276605
   0.65927437  0.83290237  0.08708616
   0.65844252  0.42688814 -0.38446291
   0.44037894  0.60470028  0.57908032
   1.00402260  0.74729603  0.96601884
   0.50449997  0.83987600  0.76672011
   0.99686495  0.92540811  0.91602514
   0.07048390 -0.09877279  0.06145530
   0.44395387  0.13056140  0.34906432
   0.03951231  0.23452434  0.02781661
   0.37008210  0.58259705  0.38816679
   0.52247375  0.18585297  0.14396200
   0.02715444  0.32718502  0.23000605
   0.34913636  0.11838037  0.56643025
  -0.14257425  0.16837850  0.44565826
  -0.18099440  0.02898902  0.33276869
   0.73785856  0.54485114  0.94696841
   0.40964544  0.26493788  0.52395107
   0.49445914  0.39564386  0.77746933
   0.29847323  0.40727108  0.55880462
  -0.18029577  0.34528192  0.70532349
   0.22398491  0.05942512 -0.03152208
   0.22490499  0.17906312  0.88722191
   0.66826592  1.42914034 -0.08948040
   0.04575138  0.76393759  0.23625283
   0.06586483  0.78006696  0.05818149
   0.63874651  0.82566418  0.37807416
   0.74027933  0.89461523  0.06995152
   0.10377271  0.93916424  0.04188560
   0.50333011  0.60102202  0.41157544
  -0.42795882  0.45339513  0.22085795
   0.20909271  0.34934297  0.54393033
   0.46637176  0.87969209  0.79457980
   0.32066599  0.64630574  0.49218426
   0.71297860  1.53175412  0.87435504
   0.52363984  1.23506314  0.64707272
   0.47454851  0.98978606  0.53810111
   0.10699584  0.78689390 -0.07801055
   0.24274253  0.83635095  1.00513258
   0.37601894 -0.09222422 -0.10241254
   1.06679336  0.18409663 -0.01107846
   1.17511227  0.62688769 -0.06824124
   0.68095187  0.33840328  0.43634858
   0.00435177  0.48334157  0.06093707
   0.68528801  0.80463605 -0.12321858
   0.64456824  0.23882110  0.44608026
   0.38107472  0.14697157  0.49066698
   0.75493078 -0.01255892  0.51094613
   0.94342948  0.33777868  0.87515249
   0.68979876  0.36780776  0.49733304
   0.59880314  0.39140336  1.01315334
   1.32022015  0.68132632  0.45546630
   0.68658436  0.45665602  0.52167682
   0.81163448 -0.08604610  0.89202185
   0.22130804  0.01430814  0.99084649
   0.44069778  0.70265411  0.21235903
   0.60694362  0.88096279  0.15197256
   0.05744716  0.35686450  0.30150501
   0.99157774  1.14996368  0.21120841
   0.80557762  0.87375132  0.01536463
   0.62570240  0.92800331  0.14719202
   1.06504983  1.00293536  0.13371325
   0.43815052  0.74417567  0.40350329
   0.68597731  0.64091664  0.54097845
   0.92298542  0.81047993  0.75207212
   0.63964567  1.43157054  2.18765716
   0.84180630  0.93879094  0.85796024
   0.94033743  0.85125011  0.67084297
   0.62458935  0.97976395  0.70608302
   0.80266842  0.92239182  0.97566718
   0.57344394 -0.18165890  1.18486044
  12.13783261  4.62172663  2.27738307
   3.29663617 -0.90431731  1.40851238
   1.88348777  2.59431285  3.78393522
   3.29668196  2.15522182 -1.41134821
  -8.99956762 -1.08275208 -1.19462872
   4.52482187 -3.33024260  3.56754742
  -0.04869782 -0.57700457 -2.32371124
   1.42010737  0.48461136 -0.47447636
   1.15795503 -2.87657114 -3.93920122
   8.62386620 12.06535475  2.77793631
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    14.161426   -0.340124   -2.629695
    -0.000000   27.441767    1.196055
    -0.000000    0.000000   37.976974
   Si   O    H 
    32    64    10
Direct configuration=  4055
   0.09956393  0.29865403  0.01009642
   0.12750770  0.15613283  0.45282264
   0.17538225  0.47835562 -0.03773194
   0.86398916 -0.23815854  0.58613670
   0.03506727 -0.27971458  0.05118159
   0.31292768 -0.05097995  0.89394029
   0.33183263  0.34950832  0.72466698
   0.15285852  0.28281306  0.67548091
   0.01518109  0.82787586  0.12565114
   0.39608411  0.57987173  0.43810025
  -0.04958338  0.89149319 -0.00159536
   0.24068045  0.99320467  0.17349912
   0.42231738  0.57610657  0.47942008
   0.53526046  0.91552792  0.93692571
   0.10754488  0.85541417  0.69687659
   0.10945003  0.81708160  0.72913732
   0.35807428 -0.03002763  0.93583656
   0.60119128  0.15195218  0.41682832
   0.74446759  0.45703642  0.15970846
   1.14238296  0.47887870  0.26947281
   0.50464300  0.12776234  0.43013334
   0.87020397  0.23102254  0.90970763
   0.45616261  0.43857042  0.53578737
   0.96082544  0.38107701  0.90029429
   0.45235200  0.63876439 -0.02053184
   0.48147856  0.37809416  0.54187406
   0.66130048  0.83371956  0.08619080
   0.65938780  0.42665725 -0.38503696
   0.44123338  0.60324829  0.58285475
   1.00119883  0.74724105  0.96651013
   0.50505424  0.83910665  0.76735596
   0.99883508  0.92555412  0.91663923
   0.07130712 -0.09944531  0.06130496
   0.44198575  0.12870701  0.34604440
   0.04347592  0.23487109  0.02862829
   0.37251394  0.58371920  0.39199759
   0.52199346  0.18250058  0.14360722
   0.02073604  0.33062916  0.22696610
   0.34835719  0.12236950  0.56737064
  -0.14775899  0.16891339  0.44522011
  -0.18452773  0.02802359  0.33217851
   1.14486959  0.63928671  1.06025091
   0.41385552  0.26284092  0.52287331
   0.49251999  0.39294695  0.77714667
   0.30593667  0.40454509  0.55550245
  -0.57241319  0.26502851  0.60829265
   0.22030311  0.05673897 -0.03275154
   0.21736990  0.17964303  0.88847580
   0.68376923  1.45731479 -0.09035667
   0.04277707  0.76541752  0.23755876
   0.08160609  0.79223095  0.05763824
   0.64194336  0.82454962  0.38067542
   0.74484410  0.89485066  0.07253532
   0.10491996  0.94307879  0.04365898
   0.50379218  0.59975007  0.41067595
  -0.42480863  0.45520099  0.22024345
   0.20791682  0.35027774  0.54463136
   0.47286401  0.88114573  0.79440577
   0.33192742  0.65026046  0.49044888
   0.72262672  1.53463147  0.87340957
   0.52612158  1.24056784  0.64877771
   0.47367433  0.98998824  0.53729994
   0.10572420  0.78512158 -0.07782598
   0.24048500  0.83709877  1.00710522
   0.37622323 -0.09048931 -0.10080692
   1.06927653  0.18497150 -0.01078618
   1.18098700  0.62863990 -0.06579382
   0.67692519  0.33691461  0.43385382
   0.00518842  0.48329349  0.06013660
   0.68329921  0.80532690 -0.12408043
   0.64799459  0.23983423  0.44641370
   0.37890014  0.14670230  0.49286561
   0.75468304 -0.01231515  0.50980444
   0.94399898  0.33622286  0.87571451
   0.69335856  0.37095241  0.50000666
   0.59457714  0.39267036  1.01379792
   1.31831434  0.67743409  0.45204286
   0.68480366  0.45732661  0.52173644
   0.81072836 -0.08388434  0.89230223
   0.22055496  0.01523304  0.99144449
   0.43806577  0.70074792  0.21326010
   0.59493140  0.87493016  0.15314258
   0.05925816  0.35690717  0.30075739
   0.99279471  1.14797306  0.21081784
   0.79788513  0.87204821  0.01309796
   0.62681748  0.93450151  0.14296480
   1.07333275  1.00091242  0.13155130
   0.43539842  0.74541390  0.40187745
   0.68904179  0.64168224  0.53937687
   0.92415954  0.80838389  0.75096959
   0.64179009  1.42851597  2.18833076
   0.83310599  0.93878769  0.85971701
   0.94439954  0.85071324  0.67178981
   0.62466576  0.97771728  0.70510613
   0.79900441  0.92183480  0.97368681
   0.58550100 -0.20874490  1.19032797
  12.19673618  4.63921890  2.29037685
   3.19425347 -0.97906029  1.43400716
   1.89110652  2.63628780  3.90138657
   3.24058904  2.06631250 -1.45264983
  -8.99459117 -1.04531008 -1.22422419
   4.50135899 -3.33458362  3.53109827
   0.02798506 -0.50673764 -2.39281879
   1.42705125  0.52045988 -0.43222925
   1.31626843 -2.94859929 -3.91584479
   8.46119237 12.08927498  2.83988799
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    14.346040   -0.241997   -2.513321
    -0.000000   27.483529    1.223173
    -0.000000    0.000000   38.069099
   Si   O    H 
    32    64    10
Direct configuration=  4056
   0.09896906  0.29874369  0.00916910
   0.12779125  0.15717023  0.45215821
   0.17813549  0.47969898 -0.03746829
   0.86353948 -0.23894394  0.58647527
   0.02935785 -0.28701610  0.04726930
   0.31815671 -0.05144363  0.89496917
   0.32515333  0.34667549  0.72156349
   0.14904756  0.27586796  0.66863267
   0.01037983  0.83543323  0.13027828
   0.39686835  0.58078326  0.43986221
  -0.04743578  0.88833353 -0.00198601
   0.24057420  0.99481744  0.17372711
   0.42219039  0.57467903  0.47846547
   0.53794724  0.91494520  0.93584841
   0.11154786  0.85542453  0.69735181
   0.10681857  0.81828900  0.73129013
   0.35660475 -0.02764463  0.93500409
   0.59908712  0.15155465  0.41729969
   0.74208719  0.45767890  0.15950033
   1.14312059  0.47625298  0.27023102
   0.51058884  0.12848645  0.43061145
   0.87108448  0.22966466  0.91017862
   0.45939071  0.43719484  0.53579288
   0.96155264  0.38185433  0.90095423
   0.44852682  0.63672471 -0.02144950
   0.47775294  0.37805600  0.54173334
   0.66241140  0.83584140  0.08547305
   0.65955457  0.42655367 -0.38653551
   0.44182811  0.60113243  0.58634213
   0.99808176  0.74678078  0.96693291
   0.50503179  0.83851102  0.76789182
   1.00108637  0.92639598  0.91669122
   0.07325124 -0.09854104  0.06193114
   0.43970465  0.12696452  0.34327564
   0.04589452  0.23466919  0.02980807
   0.37918034  0.58475426  0.39521085
   0.52136811  0.17877993  0.14320669
   0.01400196  0.33451380  0.22424011
   0.35040767  0.12716674  0.56913392
  -0.15357295  0.17058325  0.44465855
  -0.18873655  0.02704233  0.33143762
   1.50159556  0.72263547  1.16050017
   0.41718809  0.26015023  0.52193770
   0.49421585  0.39115651  0.77777617
   0.31024255  0.40203252  0.55324868
  -0.91488592  0.19343204  0.52312507
   0.21903514  0.05289669 -0.03448901
   0.21148241  0.17983982  0.88984816
   0.69715238  1.48455112 -0.09101970
   0.03900790  0.76787271  0.23860595
   0.09342532  0.80111594  0.05774867
   0.64612216  0.82427645  0.38306395
   0.74802108  0.89570354  0.07620784
   0.10172755  0.94599043  0.04455412
   0.50082711  0.59781429  0.40884866
  -0.42172232  0.45812635  0.22015766
   0.20870514  0.35232425  0.54529295
   0.47804896  0.88174359  0.79359052
   0.34453913  0.65547663  0.48737213
   0.73002590  1.53561360  0.87296018
   0.52510795  1.24649603  0.64940101
   0.47196557  0.99018788  0.53696909
   0.10610304  0.78301398 -0.07767116
   0.23849006  0.83808704  1.00844775
   0.36908762 -0.08459011 -0.10159141
   1.07263530  0.18327219 -0.01139863
   1.18694126  0.63079451 -0.06334038
   0.67350322  0.33703754  0.43221703
   0.00541155  0.48397685  0.05954932
   0.68030270  0.80504471 -0.12492765
   0.65377090  0.23752097  0.44661720
   0.37662326  0.14591983  0.49410809
   0.75382034 -0.01203773  0.50856502
   0.94493118  0.33369032  0.87583843
   0.69464132  0.37307459  0.50181181
   0.59117391  0.39397106  1.01525166
   1.31444120  0.67281819  0.44990859
   0.68298292  0.45807568  0.52302045
   0.80682992 -0.08253528  0.89396798
   0.22299814  0.01510352  0.99100141
   0.43553062  0.69863387  0.21452336
   0.58683055  0.87364776  0.15244095
   0.06140789  0.35796097  0.29914897
   0.99417929  1.14546581  0.21047954
   0.79249660  0.86928115  0.00966895
   0.62655236  0.93724576  0.13849986
   1.07758740  0.99780830  0.12866764
   0.43128459  0.74624919  0.40022261
   0.68961190  0.64318195  0.53787934
   0.92623707  0.80496917  0.74978708
   0.64212305  1.42305291  2.18880312
   0.82795092  0.93986537  0.86150149
   0.93471632  0.85042952  0.66885360
   0.62520579  0.97537267  0.70406293
   0.79122665  0.92250534  0.97084546
   0.59490575 -0.23520160  1.19634823
  12.27581846  4.66618068  2.29753993
   3.15693006 -1.06044820  1.47662454
   1.87966331  2.67622472  4.00681625
   3.15449100  1.95137183 -1.50960651
  -8.95743624 -1.01068051 -1.26684869
   4.50440801 -3.33283103  3.49798810
   0.09075333 -0.47581804 -2.46412477
   1.47243132  0.59729765 -0.37439431
   1.50306993 -2.99888419 -3.89716890
   8.24274984 12.08629611  2.92656947
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    14.577711   -0.120455   -2.368164
    -0.000000   27.531613    1.259605
    -0.000000    0.000000   38.168059
   Si   O    H 
    32    64    10
Direct configuration=  4057
   0.09895072  0.29992711  0.00812477
   0.12726170  0.15843230  0.45166291
   0.18145612  0.48070096 -0.03724701
   0.86326409 -0.23977465  0.58691446
   0.02627256 -0.29332399  0.04395431
   0.28986557 -0.03008412  0.89406378
   0.31391556  0.34236611  0.71743123
   0.14757574  0.27063786  0.66315900
   0.00605323  0.84251150  0.13416684
   0.39652742  0.58251231  0.43944250
  -0.04344836  0.88582874 -0.00172082
   0.24042934  0.99658914  0.17355642
   0.42483589  0.57044467  0.48189227
   0.53706309  0.91468821  0.93417316
   0.11506991  0.85371347  0.69862386
   0.10811309  0.81995539  0.73361477
   0.35341039 -0.02224062  0.93668566
   0.60003041  0.15230954  0.41774354
   0.74040398  0.45839375  0.15907048
   1.14361719  0.47302559  0.27103823
   0.51290468  0.12869481  0.43103999
   0.87186176  0.22805596  0.91076274
   0.46462208  0.43509411  0.53597442
   0.96262463  0.38277175  0.90165998
   0.44626066  0.63483123 -0.02216325
   0.47516699  0.37959269  0.54138665
   0.66289465  0.83880857  0.08450966
   0.65894763  0.42633631 -0.38843588
   0.44264917  0.59885908  0.59033360
   0.99494718  0.74708500  0.96745612
   0.50394611  0.83817856  0.76834205
   1.00103055  0.92770653  0.91593520
   0.07183917 -0.09598767  0.06237488
   0.43749465  0.12502614  0.34112877
   0.04854772  0.23337720  0.03009346
   0.38754437  0.58503966  0.39600083
   0.52095275  0.17491764  0.14289259
   0.00837523  0.33904807  0.22215290
   0.35277608  0.13055818  0.57173176
  -0.15850723  0.17296619  0.44418186
  -0.19165977  0.02661838  0.33079419
   1.80877197  0.79438576  1.24862244
   0.41970412  0.25656127  0.52095910
   0.50001115  0.39011594  0.77973597
   0.31242356  0.40177044  0.55186244
  -1.21275339  0.13040181  0.44800502
   0.21754654  0.04855697 -0.03618822
   0.20552610  0.18194184  0.89129005
   0.71003639  1.51085767 -0.09230539
   0.03550264  0.76956754  0.24054904
   0.10353115  0.80679599  0.05846123
   0.65080370  0.82409690  0.38500816
   0.75027463  0.89631968  0.07984227
   0.09600560  0.94813672  0.04451667
   0.49545809  0.59495235  0.40636431
  -0.42116460  0.46207076  0.22103127
   0.20811447  0.35556622  0.54531746
   0.48228012  0.88194337  0.79200903
   0.35108977  0.66149668  0.48507960
   0.73659277  1.53579198  0.87325391
   0.52432538  1.25076595  0.64986397
   0.46933377  0.99009253  0.53658800
   0.10777540  0.78034549 -0.07730164
   0.23732698  0.83925949  1.00925946
   0.42538785 -0.12069124 -0.10137462
   1.07622800  0.18093864 -0.01239701
   1.18943436  0.63281431 -0.06165097
   0.67015967  0.33874336  0.43159569
   0.00513787  0.48486266  0.05919429
   0.67771854  0.80380484 -0.12543051
   0.65963146  0.23215133  0.44646303
   0.37597910  0.14567731  0.49462226
   0.75121919 -0.01194414  0.50745781
   0.94592060  0.33128525  0.87571699
   0.69462375  0.37371195  0.50248061
   0.58830007  0.39447866  1.01715491
   1.31147525  0.66907283  0.44770914
   0.67815752  0.46016089  0.52482950
   0.80217395 -0.08211520  0.89641434
   0.22579354  0.01599849  0.98825893
   0.43302599  0.69660613  0.21538687
   0.57988566  0.87512174  0.15105064
   0.06322455  0.35969966  0.29683234
   0.99591828  1.14239352  0.21020468
   0.78812524  0.86640903  0.00691530
   0.62750254  0.93807071  0.13412495
   1.08295824  0.99439606  0.12634254
   0.42703280  0.74715540  0.39863459
   0.69045444  0.64509884  0.53637194
   0.92961669  0.80180462  0.74831852
   0.64364326  1.41681611  2.18863223
   0.82761807  0.94167763  0.86265411
   0.91974925  0.84998491  0.66381740
   0.62558667  0.97298127  0.70317207
   0.78340646  0.92365907  0.96941907
   0.60619600 -0.25701098  1.20234835
  12.32206917  4.70384643  2.29685159
   3.14302541 -1.13153018  1.51747890
   1.82254088  2.69386995  4.09008635
   3.10069612  1.84959149 -1.55834841
  -8.91960922 -0.95704356 -1.29229447
   4.52872052 -3.30521989  3.46617734
   0.20120019 -0.48689620 -2.52751051
   1.51038961  0.66497749 -0.33771194
   1.67180830 -3.06767059 -3.86634093
   8.07161293 12.01791430  3.03249937
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    14.843630    0.016296   -2.203099
    -0.000000   27.584327    1.302151
    -0.000000    0.000000   38.271575
   Si   O    H 
    32    64    10
Direct configuration=  4058
   0.09886933  0.30106534  0.00712091
   0.12670001  0.15938692  0.45113854
   0.18468214  0.48152472 -0.03712252
   0.86303146 -0.24057611  0.58740366
   0.02606183 -0.29971892  0.04037792
   0.26960486 -0.01152764  0.89507062
   0.30442458  0.33800098  0.71384295
   0.14853924  0.26716128  0.65903349
   0.00260841  0.84910588  0.13789302
   0.39596222  0.58510891  0.43782093
  -0.04091694  0.88325906 -0.00176187
   0.23957945  0.99853404  0.17291264
   0.42939915  0.56527089  0.48725513
   0.53433110  0.91464158  0.93213361
   0.11494801  0.85303064  0.70004965
   0.11023075  0.82170456  0.73566248
   0.34620532 -0.01684382  0.93727100
   0.59893838  0.15305997  0.41724530
   0.73900761  0.45859678  0.15826620
   1.14377441  0.47009263  0.27174437
   0.51308226  0.12928056  0.43158091
   0.87315568  0.22659650  0.91181913
   0.47064076  0.43477636  0.53637549
   0.96355776  0.38339420  0.90212982
   0.44633127  0.63297664 -0.02239387
   0.47343949  0.37995161  0.54124003
   0.66415974  0.84266565  0.08361913
   0.65712466  0.42593684 -0.39064986
   0.44439394  0.59768439  0.59434615
   0.99244778  0.74776173  0.96829914
   0.50257984  0.83807439  0.76865440
   0.99840326  0.92930546  0.91465051
   0.06658100 -0.09434811  0.06344714
   0.43702625  0.12316091  0.34022874
   0.05178995  0.23168971  0.02892767
   0.38874927  0.58440218  0.39424067
   0.52057498  0.17113842  0.14261687
   0.00399613  0.34391918  0.22058290
   0.35552894  0.13279987  0.57494549
  -0.15578753  0.17308838  0.44426427
  -0.19404412  0.02635757  0.33001765
   2.07003874  0.85833418  1.32602172
   0.42239494  0.25383203  0.51983393
   0.49978522  0.38766678  0.77959790
   0.31660351  0.40224095  0.55153776
  -1.46553843  0.07455327  0.38285176
   0.21830427  0.04516872 -0.04040252
   0.20111805  0.18368383  0.89269232
   0.72054723  1.53447200 -0.09263451
   0.03710565  0.77115599  0.24156414
   0.11194890  0.81030417  0.05972011
   0.65285576  0.82316865  0.38743571
   0.75371493  0.89517851  0.08023659
   0.09165722  0.95151440  0.04305783
   0.49579084  0.59296202  0.40502377
  -0.42244825  0.46645506  0.22271613
   0.20663014  0.35770389  0.54492446
   0.48596846  0.88205344  0.79019086
   0.35902689  0.66802246  0.48308822
   0.74375867  1.53687015  0.87286025
   0.52367409  1.25365210  0.64994750
   0.46683716  0.99009434  0.53651589
   0.10951211  0.77731474 -0.07683928
   0.23691148  0.84091325  1.00909732
   0.47261231 -0.15082493 -0.10118450
   1.07859607  0.17898872 -0.01282513
   1.18919147  0.63512349 -0.06080819
   0.66701640  0.34086981  0.43208398
   0.00475596  0.48551414  0.05910665
   0.67533974  0.80283700 -0.12589571
   0.65943048  0.22816788  0.44618509
   0.37453182  0.14576444  0.49391786
   0.74811245 -0.01177545  0.50625390
   0.94731356  0.33028280  0.87583575
   0.69402274  0.37327420  0.50209260
   0.58534097  0.39477023  1.01906708
   1.30691143  0.66667896  0.44557664
   0.67348537  0.46411244  0.52667427
   0.80031475 -0.08262196  0.89894744
   0.22954967  0.01441936  0.98679008
   0.43512781  0.69506586  0.21500699
   0.57521961  0.87872363  0.14924466
   0.06364252  0.36090914  0.29443648
   0.99800879  1.13880683  0.20978327
   0.78553287  0.86309852  0.00557260
   0.60367987  0.94153833  0.12868883
   1.08920635  0.99216054  0.12553688
   0.42533061  0.74904896  0.39757217
   0.69086867  0.64683363  0.53555194
   0.93474313  0.79980034  0.74567961
   0.64631535  1.41077282  2.18766135
   0.83017382  0.94384754  0.86360959
   0.90926244  0.84878240  0.65990435
   0.62557986  0.97112375  0.70251308
   0.77927647  0.92484410  0.97019778
   0.61238863 -0.27908172  1.20872012
  12.34372238  4.73123539  2.30067597
   3.12427107 -1.20020837  1.55118128
   1.71341155  2.71074063  4.17269482
   3.05813143  1.76213131 -1.59873320
  -8.87384042 -0.95767063 -1.31715672
   4.52125313 -3.27722017  3.42783778
   0.27754882 -0.50646998 -2.58452447
   1.52616603  0.70407077 -0.32683250
   2.16992863 -3.19524030 -3.78812932
   7.90105079 11.96761521  3.12691811
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    15.133415    0.163434   -2.023414
    -0.000000   27.640990    1.349846
    -0.000000    0.000000   38.378725
   Si   O    H 
    32    64    10
Direct configuration=  4059
   0.09793117  0.30118635  0.00615457
   0.12513952  0.16019142  0.45068667
   0.18806661  0.48206098 -0.03702406
   0.86079662 -0.24171913  0.58820790
   0.02649737 -0.30575716  0.03817995
   0.25593335  0.00515047  0.89951096
   0.29702422  0.33405828  0.71121373
   0.15145281  0.26497240  0.65613237
  -0.00195392  0.85501446  0.14099518
   0.39812967  0.58887348  0.43897289
  -0.03970491  0.88199994 -0.00119427
   0.23822740  1.00036460  0.17221624
   0.43156373  0.56181748  0.48933710
   0.53164926  0.91539394  0.93056842
   0.11184103  0.85328541  0.70114734
   0.11156514  0.82387899  0.73687257
   0.33502843 -0.01135449  0.93547790
   0.60440603  0.15534017  0.41678990
   0.73767305  0.45787219  0.15779630
   1.14469195  0.46790488  0.27255987
   0.50741382  0.12656728  0.43258411
   0.87454283  0.22505119  0.91322352
   0.47724105  0.43631056  0.53674298
   0.96412476  0.38336642  0.90243669
   0.44728418  0.63120980 -0.02238658
   0.47160122  0.37891280  0.54122507
   0.66457199  0.84784523  0.08395048
   0.65376342  0.42569204 -0.39320669
   0.44529084  0.59585480  0.59771948
   0.99018502  0.74932280  0.96850572
   0.50074187  0.83827760  0.76952374
   0.99369724  0.93099492  0.91296663
   0.05821922 -0.09160545  0.06255592
   0.43356346  0.12176881  0.33751324
   0.05581761  0.23048771  0.02701085
   0.38167323  0.58305359  0.39019652
   0.52008269  0.16790644  0.14231105
   0.00041598  0.34869480  0.21933405
   0.35955182  0.13440218  0.57855185
  -0.15177983  0.17342130  0.44420671
  -0.19643401  0.02619840  0.32946897
   2.29452994  0.91313686  1.39238471
   0.42596289  0.25223040  0.51907822
   0.49247444  0.38372866  0.77743316
   0.32313882  0.40345721  0.55187586
  -1.68437477  0.02581395  0.32675904
   0.21901322  0.04170714 -0.04505785
   0.19895915  0.18526854  0.89425363
   0.72933219  1.55591053 -0.09265433
   0.03882223  0.77448601  0.24361388
   0.11752364  0.81053531  0.06091417
   0.65326517  0.82204105  0.38943011
   0.75839171  0.89412063  0.07975066
   0.08640254  0.95361920  0.04035015
   0.49921173  0.59131595  0.40658594
  -0.42283121  0.46914233  0.22400572
   0.20343722  0.35829065  0.54402013
   0.48880347  0.88188971  0.78860901
   0.36586948  0.67201706  0.48095958
   0.75042216  1.53779720  0.87229526
   0.52343616  1.25488942  0.64966014
   0.46454191  0.99028360  0.53657483
   0.11070137  0.77472756 -0.07637198
   0.23773254  0.84293760  1.00824414
   0.51273938 -0.17887174 -0.10232576
   1.07972177  0.17818597 -0.01304799
   1.18737409  0.63787853 -0.06058093
   0.66442027  0.34221230  0.43301872
   0.00377622  0.48577429  0.05904405
   0.67485799  0.80197404 -0.12665128
   0.66334998  0.22619164  0.44596189
   0.37137022  0.14631950  0.49233568
   0.74508502 -0.01165466  0.50546859
   0.94872101  0.33107968  0.87648660
   0.69280787  0.37229432  0.50133952
   0.58236862  0.39487309  1.02088244
   1.30148975  0.66357972  0.44382096
   0.66872356  0.46903085  0.52829731
   0.80220342 -0.08361525  0.90051676
   0.23297710  0.01215519  0.98515015
   0.43782560  0.69423585  0.21524352
   0.57300859  0.88212639  0.14625522
   0.06369593  0.36149870  0.29229769
   0.99950067  1.13524663  0.20939262
   0.78580409  0.85963382  0.00478361
   0.58408813  0.94184614  0.12363682
   1.09525597  0.99091178  0.12621760
   0.42742134  0.74976819  0.39732896
   0.69071935  0.64870125  0.53520496
   0.94054602  0.79903149  0.74192383
   0.64834892  1.40858422  2.18689539
   0.83413584  0.94547148  0.86517702
   0.90612425  0.84651560  0.65882222
   0.62622850  0.96961941  0.70188456
   0.77971216  0.92616180  0.97279274
   0.61681487 -0.29920531  1.21481284
  12.34033275  4.76163373  2.27850135
   3.15912539 -1.24029600  1.61372994
   1.61614382  2.73731384  4.24583777
   3.05392548  1.66903705 -1.65134789
  -8.83673153 -1.00427683 -1.33286704
   4.49104429 -3.24040255  3.38034448
   0.35111117 -0.54597565 -2.63519802
   1.57053947  0.75784529 -0.31048163
   2.65746809 -3.32260967 -3.69267325
   7.74278345 11.91078304  3.21312495
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    15.438120    0.317187   -1.831882
    -0.000000   27.700981    1.401512
    -0.000000    0.000000   38.487312
   Si   O    H 
    32    64    10
Direct configuration=  4060
   0.09712360  0.30056750  0.00541406
   0.12368917  0.16093943  0.45026717
   0.19141769  0.48258311 -0.03700047
   0.85645061 -0.24294439  0.58891694
   0.02829461 -0.31151032  0.03728236
   0.24582125  0.01863598  0.90345238
   0.29072978  0.33016055  0.70915388
   0.15585073  0.26425657  0.65427509
  -0.00593877  0.86041148  0.14364668
   0.40244966  0.59263940  0.44148032
  -0.04012378  0.88151238  0.00001716
   0.23711424  1.00221200  0.17135351
   0.43176910  0.56102599  0.48780662
   0.53021558  0.91587773  0.92919822
   0.10535638  0.85179557  0.70219691
   0.11102733  0.82635958  0.73747028
   0.32515532 -0.00688915  0.93230722
   0.60243790  0.15342500  0.41567416
   0.73553722  0.45643968  0.15759514
   1.14519372  0.46652241  0.27286242
   0.50837605  0.12759888  0.43203541
   0.87607572  0.22356051  0.91493710
   0.48467516  0.43659674  0.53741060
   0.96438733  0.38299399  0.90260629
   0.44661478  0.62913986 -0.02232366
   0.47036110  0.37885124  0.54094791
   0.66412835  0.85331896  0.08475594
   0.64940024  0.42533988 -0.39620415
   0.44657852  0.59438695  0.60074237
   0.98837390  0.75203597  0.96774571
   0.49867145  0.83900288  0.77065496
   0.98760157  0.93282269  0.91106152
   0.04923577 -0.08752102  0.05988158
   0.43627146  0.12124681  0.33907893
   0.05991620  0.23035839  0.02493941
   0.37383540  0.58203172  0.38738751
   0.51953627  0.16493710  0.14212951
  -0.00227075  0.35299274  0.21833577
   0.36354197  0.13517558  0.58227439
  -0.14935278  0.17333909  0.44373631
  -0.19843822  0.02606944  0.32896359
   2.48724591  0.96138761  1.45008715
   0.43019145  0.25186355  0.51859726
   0.48162435  0.37932764  0.77416368
   0.33065955  0.40494752  0.55254221
  -1.87291360 -0.01776647  0.27800195
   0.21417253  0.04114941 -0.04714139
   0.19873428  0.18722319  0.89525606
   0.73653318  1.57589552 -0.09225327
   0.04222237  0.77601803  0.24705222
   0.12003248  0.80836956  0.06226544
   0.65922079  0.82290982  0.39169503
   0.76308826  0.89277054  0.07857193
   0.07973789  0.95361714  0.03742887
   0.50028480  0.58948238  0.41032447
  -0.42077640  0.46950158  0.22408510
   0.19909883  0.35798710  0.54303644
   0.49069542  0.88158623  0.78716881
   0.37438256  0.67340132  0.47891340
   0.75733904  1.53835297  0.87126656
   0.52330981  1.25492806  0.64912418
   0.46250631  0.98971043  0.53703094
   0.11031167  0.77248776 -0.07563542
   0.23953774  0.84586300  1.00678976
   0.54647280 -0.20378634 -0.10347571
   1.07947860  0.17775669 -0.01347742
   1.18695727  0.64114452 -0.06031378
   0.66191716  0.34305980  0.43382864
   0.00261375  0.48569730  0.05949201
   0.67627783  0.80137312 -0.12714867
   0.66642553  0.22541820  0.44677622
   0.36726522  0.14758556  0.48963254
   0.74261306 -0.01176253  0.50463315
   0.95007223  0.33280090  0.87764338
   0.69101732  0.37190572  0.50116345
   0.57925847  0.39484602  1.02230325
   1.29547940  0.66031255  0.44061875
   0.66360373  0.47408162  0.52927424
   0.80632395 -0.08421811  0.90127793
   0.23519563  0.00966036  0.98545724
   0.44075802  0.69261289  0.21510460
   0.57056264  0.88592317  0.14251015
   0.06278042  0.36112523  0.29020245
   1.00073985  1.13222408  0.20903099
   0.78830088  0.85712025  0.00478016
   0.56812193  0.93957108  0.11939995
   1.10189165  0.99055851  0.12794852
   0.43104806  0.75028458  0.39750767
   0.68991109  0.65049633  0.53499212
   0.94888184  0.79929931  0.73773124
   0.64901333  1.41021336  2.18685424
   0.83784398  0.94626378  0.86713697
   0.91089693  0.84407110  0.65986437
   0.62735166  0.96848510  0.70122337
   0.78472369  0.92649900  0.97655873
   0.61978232 -0.31831910  1.22122471
  12.34642556  4.80478666  2.26123080
   3.23417106 -1.28377194  1.67102739
   1.52858301  2.79035359  4.29978092
   3.10410472  1.59108258 -1.69583471
  -8.79743381 -1.02158179 -1.35223376
   4.31402485 -3.24750711  3.32516127
   0.43999938 -0.58337440 -2.66741910
   1.61906413  0.78064838 -0.31434967
   3.06164512 -3.45715980 -3.61168090
   7.63046731 11.87518559  3.27699232
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    15.749157    0.474942   -1.630401
    -0.000000   27.757093    1.455908
    -0.000000    0.000000   38.593056
   Si   O    H 
    32    64    10
Direct configuration=  4061
   0.09574637  0.29963613  0.00490778
   0.12262044  0.16154453  0.44993772
   0.19474825  0.48293317 -0.03691139
   0.85305970 -0.24393402  0.58953138
   0.02989543 -0.31657800  0.03642234
   0.23577542  0.03109257  0.90669065
   0.28547953  0.32690240  0.70740441
   0.15974997  0.26350991  0.65250798
  -0.00975923  0.86534525  0.14585741
   0.40564590  0.59657913  0.44308799
  -0.04051184  0.88121264  0.00107945
   0.23587548  1.00389828  0.17045699
   0.43212232  0.56031837  0.48656408
   0.52901357  0.91616359  0.92796841
   0.09975397  0.85132599  0.70179102
   0.11082113  0.82740093  0.73921807
   0.31793418 -0.00342173  0.92990037
   0.60185595  0.15194471  0.41452615
   0.73361442  0.45496064  0.15747915
   1.14565432  0.46542200  0.27314458
   0.50832147  0.12833333  0.43155159
   0.87769221  0.22211102  0.91655394
   0.49171125  0.43804849  0.53790890
   0.96437903  0.38263975  0.90279006
   0.44657393  0.62713675 -0.02219843
   0.46926543  0.37733507  0.54086913
   0.66364251  0.85825198  0.08551736
   0.64539251  0.42529149 -0.39900365
   0.44741237  0.59306059  0.60341938
   0.98741111  0.75451325  0.96710048
   0.49714755  0.83780148  0.77095405
   0.98190726  0.93451630  0.90944781
   0.04264806 -0.08429017  0.05792800
   0.43892716  0.12108681  0.34049411
   0.06457317  0.23007614  0.02257385
   0.36630121  0.58146538  0.38495991
   0.51890739  0.16258729  0.14185135
  -0.00445287  0.35701809  0.21738915
   0.36632496  0.13598036  0.58537531
  -0.14692687  0.17322922  0.44339673
  -0.20057658  0.02577753  0.32874235
   2.65223296  1.00387394  1.50068251
   0.43373016  0.25152606  0.51806139
   0.47215087  0.37569661  0.77136426
   0.33655680  0.40621249  0.55302345
  -2.03555616 -0.05585456  0.23542412
   0.21142601  0.04133055 -0.04942973
   0.19870675  0.18900650  0.89635292
   0.74419289  1.59304508 -0.09304588
   0.04479906  0.77739345  0.25008425
   0.12169444  0.80661706  0.06329602
   0.66428841  0.82382526  0.39356833
   0.76637570  0.89134551  0.07761299
   0.07288487  0.95399664  0.03466893
   0.50186910  0.58776638  0.41371055
  -0.41955419  0.46949938  0.22421670
   0.19497927  0.35767140  0.54228360
   0.49208403  0.88444786  0.78718416
   0.38121053  0.67469701  0.47719013
   0.76269663  1.53968571  0.87122384
   0.52342891  1.25480106  0.64879860
   0.46116133  0.98930833  0.53719586
   0.10942356  0.77045134 -0.07501395
   0.24155154  0.84860880  1.00554599
   0.57666381 -0.22602656 -0.10474196
   1.07924239  0.17816404 -0.01337478
   1.18688642  0.64397834 -0.06008814
   0.65956481  0.34382418  0.43454116
   0.00207206  0.48561077  0.06001427
   0.67740760  0.80123373 -0.12758384
   0.66858436  0.22450878  0.44734431
   0.36379732  0.14875838  0.48754511
   0.74053388 -0.01189724  0.50390096
   0.95149523  0.33413329  0.87879552
   0.68965138  0.37137529  0.50128600
   0.57618897  0.39461471  1.02390372
   1.29180481  0.65733539  0.43744684
   0.65891211  0.47876157  0.53032227
   0.81153030 -0.08451920  0.90130054
   0.23662967  0.00701518  0.98599827
   0.44352673  0.69103429  0.21500757
   0.56823085  0.89056005  0.13846514
   0.06219784  0.36113158  0.28809703
   1.00210525  1.12979017  0.20857108
   0.79079097  0.85544833  0.00434476
   0.55446072  0.93599917  0.11630773
   1.10783054  0.99029651  0.12940772
   0.43370412  0.75099319  0.39731312
   0.68955478  0.65232354  0.53473601
   0.95513594  0.79954811  0.73403569
   0.64982797  1.41215884  2.18679634
   0.83924917  0.94659410  0.86925930
   0.91513477  0.84146290  0.66084001
   0.62861567  0.96758609  0.70049377
   0.78926777  0.92593813  0.98047390
   0.62244405 -0.33559406  1.22688734
  12.35163132  4.84194561  2.24682508
   3.29914664 -1.32207661  1.72142457
   1.44771353  2.83922340  4.34784556
   3.15159859  1.52001602 -1.73584405
  -8.76285134 -1.03640073 -1.36949469
   4.16373893 -3.25348883  3.27578764
   0.51776861 -0.61789608 -2.69647992
   1.66149682  0.80091066 -0.31817830
   3.41344710 -3.58000999 -3.54135358
   7.53099087 11.84231942  3.33560817
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    16.061583    0.635189   -1.422827
    -0.000000   27.808882    1.512284
    -0.000000    0.000000   38.695743
   Si   O    H 
    32    64    10
Direct configuration=  4062
   0.09429916  0.29849306  0.00435153
   0.12162505  0.16200810  0.44971466
   0.19745587  0.48293310 -0.03680837
   0.85009726 -0.24484346  0.59018034
   0.03170459 -0.32109360  0.03557941
   0.22535624  0.04273915  0.90923332
   0.28112359  0.32382177  0.70576356
   0.16328118  0.26291294  0.65094506
  -0.01340276  0.86968137  0.14802296
   0.40833513  0.60026582  0.44390105
  -0.04064793  0.88075451  0.00203174
   0.23453879  1.00561049  0.16965672
   0.43255526  0.55953808  0.48564751
   0.52773228  0.91617843  0.92685039
   0.09439899  0.85177586  0.70032087
   0.11089426  0.82766563  0.74191236
   0.31266038 -0.00091149  0.92812060
   0.60222741  0.15098933  0.41348008
   0.73168833  0.45339914  0.15743697
   1.14607712  0.46452752  0.27352199
   0.50725497  0.12877559  0.43127099
   0.87902807  0.22097162  0.91790086
   0.49810585  0.44016055  0.53832550
   0.96422236  0.38221371  0.90291271
   0.44688928  0.62530954 -0.02198799
   0.46797158  0.37511264  0.54084839
   0.66339490  0.86276144  0.08621730
   0.64234082  0.42532415 -0.40147972
   0.44821489  0.59165648  0.60598256
   0.98685428  0.75669681  0.96671224
   0.49635682  0.83536308  0.77081782
   0.97710904  0.93595521  0.90805609
   0.03772377 -0.08198040  0.05679297
   0.44095547  0.12100755  0.34145809
   0.06956507  0.22927233  0.01978657
   0.35941436  0.58079030  0.38292291
   0.51835008  0.16024994  0.14136052
  -0.00588377  0.36054342  0.21654016
   0.36908914  0.13700397  0.58775051
  -0.14526974  0.17305620  0.44309879
  -0.20220671  0.02564716  0.32857036
   2.78989153  1.04264902  1.54488563
   0.43602392  0.25101394  0.51770488
   0.46372390  0.37247687  0.76880894
   0.34172693  0.40727513  0.55360575
  -2.17558693 -0.08943724  0.19819646
   0.21041968  0.04161325 -0.05092492
   0.19901629  0.19048640  0.89736799
   0.75135656  1.60742018 -0.09446633
   0.04728984  0.77850637  0.25257918
   0.12342553  0.80505548  0.06429118
   0.66811475  0.82440859  0.39505630
   0.76859464  0.88978246  0.07691195
   0.06594264  0.95482612  0.03162246
   0.50324718  0.58651790  0.41687051
  -0.41845130  0.46903119  0.22447165
   0.19149322  0.35760105  0.54147206
   0.49267266  0.88882904  0.78784801
   0.38662375  0.67602804  0.47558362
   0.76634632  1.54185157  0.87173461
   0.52355954  1.25453443  0.64848250
   0.46000665  0.98911608  0.53729738
   0.10841429  0.76867153 -0.07450077
   0.24328798  0.85102637  1.00452799
   0.60411040 -0.24612463 -0.10591278
   1.07878657  0.17949162 -0.01256835
   1.18687203  0.64649217 -0.05997550
   0.65737567  0.34450158  0.43508252
   0.00203363  0.48552756  0.06051425
   0.67800801  0.80129016 -0.12819648
   0.67032966  0.22380348  0.44772253
   0.36133517  0.15027674  0.48592840
   0.74237710 -0.01325079  0.50336020
   0.95299113  0.33522007  0.87949003
   0.68832142  0.37086359  0.50143987
   0.57364626  0.39437419  1.02520417
   1.28960568  0.65469507  0.43460412
   0.65469507  0.48285963  0.53167429
   0.81717352 -0.08484813  0.90100620
   0.23672297  0.00448995  0.98590513
   0.44582757  0.68978163  0.21484497
   0.56516871  0.89433363  0.13528683
   0.06175858  0.36114771  0.28642648
   1.00328680  1.12776824  0.20805009
   0.79311129  0.85511201  0.00360092
   0.54330053  0.93346059  0.11354647
   1.11303569  0.98982156  0.13069981
   0.43619572  0.75182580  0.39715099
   0.68926081  0.65410031  0.53449997
   0.96090014  0.79932099  0.73084052
   0.65104590  1.41424630  2.18658793
   0.83948909  0.94687466  0.87115063
   0.91915489  0.83930617  0.66139671
   0.63007148  0.96660986  0.69996118
   0.79340412  0.92391178  0.98436043
   0.62480954 -0.35129221  1.23190500
  12.35521649  4.87690278  2.23321315
   3.35383368 -1.35828379  1.76614738
   1.38189785  2.88302681  4.39082585
   3.19300902  1.45575534 -1.77198378
  -8.73195482 -1.04935154 -1.38466739
   4.02747198 -3.25893621  3.23265270
   0.58670917 -0.64884683 -2.72378272
   1.69897857  0.81980356 -0.32226587
   3.72141654 -3.69269653 -3.47885147
   7.43840133 11.81184057  3.38973211
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    16.375298    0.797050   -1.212607
    -0.000000   27.860796    1.569919
    -0.000000    0.000000   38.798548
   Si   O    H 
    32    64    10
Direct configuration=  4063
   0.09331364  0.29782679  0.00358264
   0.12131051  0.16239304  0.44961624
   0.20036205  0.48336436 -0.03689838
   0.84726066 -0.24581937  0.59072281
   0.03348859 -0.32441093  0.03440341
   0.22216627  0.04981186  0.91701466
   0.27863167  0.32142383  0.70510568
   0.16646061  0.26250189  0.64961900
  -0.01580402  0.87327137  0.14964705
   0.41100305  0.60234613  0.44503949
  -0.04399520  0.88011521  0.00248602
   0.23623270  1.00619144  0.16933325
   0.43239431  0.56075691  0.48357252
   0.52701192  0.91612627  0.92596640
   0.09300943  0.85220116  0.70074275
   0.10940286  0.82928226  0.74155635
   0.30364661  0.00402595  0.92364001
   0.59426973  0.14836392  0.41304717
   0.73163990  0.45244244  0.15687275
   1.14747420  0.46438007  0.27376662
   0.51173919  0.13121284  0.42860769
   0.88122384  0.22055677  0.91927812
   0.50113539  0.43730635  0.53922862
   0.96455855  0.38212073  0.90335476
   0.44399880  0.62299650 -0.02185871
   0.47357204  0.37611584  0.54002497
   0.66370236  0.86756207  0.08639175
   0.63817593  0.42516238 -0.40408823
   0.44903698  0.59003592  0.60826314
   0.98771969  0.75864317  0.96666278
   0.49560305  0.83324646  0.77053809
   0.97554747  0.93760572  0.90711798
   0.03578938 -0.07792219  0.05636429
   0.44784865  0.12191527  0.34629708
   0.07334860  0.22947668  0.01853143
   0.35443321  0.58013088  0.38172646
   0.51704060  0.15864019  0.14097977
  -0.00581213  0.36352419  0.21650160
   0.37122167  0.13808425  0.58973689
  -0.14149451  0.17318524  0.44272186
  -0.20302470  0.02541176  0.32838015
   2.90787399  1.07666458  1.58414065
   0.43827398  0.25176097  0.51767286
   0.45410494  0.36874439  0.76568516
   0.34132896  0.40771724  0.55430867
  -2.29825686 -0.11847447  0.16588290
   0.20578331  0.04417849 -0.05805194
   0.20119141  0.19101958  0.89747529
   0.75918925  1.61909667 -0.09611487
   0.05071080  0.78294537  0.25626759
   0.12305722  0.80328405  0.06544102
   0.67223354  0.82498816  0.39617998
   0.76902591  0.88794244  0.07651633
   0.05700496  0.95373926  0.02902417
   0.50247798  0.58481944  0.41960794
  -0.41562622  0.46690635  0.22341769
   0.18870564  0.35800805  0.54097075
   0.49204533  0.89176792  0.78846024
   0.38836979  0.67737591  0.47289509
   0.76976114  1.54372640  0.87245342
   0.52450495  1.25309625  0.64854723
   0.45627555  0.98779152  0.53816427
   0.10630422  0.76773241 -0.07375751
   0.24539871  0.85315361  1.00317213
   0.62953474 -0.26259204 -0.10806772
   1.07778298  0.17969401 -0.01276310
   1.18868990  0.64809228 -0.05898566
   0.65543910  0.34456119  0.43442942
   0.00124978  0.48464652  0.06108533
   0.67712451  0.79974249 -0.12833264
   0.66913202  0.22189636  0.44782668
   0.35809417  0.15323076  0.48411407
   0.74585369 -0.01451620  0.50244108
   0.95335325  0.33525091  0.88045671
   0.68410674  0.36986692  0.50457661
   0.57176943  0.39416972  1.02621415
   1.29172135  0.65295661  0.43337194
   0.65354189  0.48596918  0.53218519
   0.82145046 -0.08315876  0.90005074
   0.23486189  0.00248269  0.98748334
   0.44990410  0.68858203  0.21482582
   0.56052102  0.89826711  0.13345054
   0.05994168  0.36057637  0.28387028
   1.00397057  1.12670693  0.20789144
   0.79832128  0.85571013  0.00429995
   0.53679716  0.92932810  0.11082505
   1.11517471  0.98929628  0.13055814
   0.43800474  0.75220165  0.39753832
   0.69000046  0.65664030  0.53445384
   0.96528096  0.79730842  0.73052695
   0.64809904  1.41712884  2.18805185
   0.83820854  0.94568707  0.87368202
   0.92200426  0.83760379  0.66051410
   0.63252506  0.96650793  0.69886108
   0.80137743  0.92191004  0.98680242
   0.62511123 -0.36494453  1.23625534
  12.35129362  4.92917418  2.18797474
   3.40259940 -1.38771851  1.80675890
   1.35905599  2.86946378  4.43989609
   3.19958379  1.38659985 -1.79359816
  -8.71898811 -1.06454135 -1.39422512
   3.88362813 -3.31973106  3.17248901
   0.64509408 -0.68910340 -2.73652713
   1.71388914  0.83238884 -0.32386717
   3.95787085 -3.76003624 -3.44158087
   7.31106743 11.82202566  3.44540670
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    16.683778    0.960337   -0.999993
    -0.000000   27.907966    1.628393
    -0.000000    0.000000   38.898015
   Si   O    H 
    32    64    10
Direct configuration=  4064
   0.09238611  0.29714074  0.00287105
   0.12056031  0.16271637  0.44959927
   0.20348210  0.48364416 -0.03721663
   0.84467027 -0.24661125  0.59111682
   0.03526971 -0.32726480  0.03322903
   0.22284286  0.05836221  0.91710515
   0.27651835  0.31909016  0.70432369
   0.16954360  0.26215874  0.64829114
  -0.01821165  0.87644093  0.15103045
   0.41316956  0.60478842  0.44580385
  -0.04708876  0.87950125  0.00285041
   0.23750460  1.00654024  0.16889311
   0.43249419  0.56132104  0.48218691
   0.52649522  0.91596404  0.92511865
   0.09096645  0.85317093  0.70035080
   0.10817366  0.83030811  0.74188360
   0.29663035  0.00801599  0.91974330
   0.58939669  0.14644294  0.41236426
   0.73132009  0.45150103  0.15653847
   1.14838956  0.46423912  0.27395495
   0.51384054  0.13305854  0.42653283
   0.88302474  0.22044531  0.92066194
   0.50417020  0.43540608  0.54003782
   0.96458764  0.38219677  0.90389898
   0.44129015  0.62088481 -0.02163585
   0.47837751  0.37605248  0.53923527
   0.66419899  0.87180995  0.08650011
   0.63462713  0.42504779 -0.40637891
   0.44999938  0.58863712  0.61034260
   0.98875766  0.76058509  0.96669079
   0.49487859  0.83129850  0.77049709
   0.97438910  0.93916005  0.90632027
   0.03329494 -0.07548365  0.05702895
   0.45409989  0.12250103  0.35057939
   0.07741053  0.22896279  0.01672599
   0.35019748  0.57960419  0.38056712
   0.51604898  0.15705528  0.14043397
  -0.00590780  0.36620205  0.21655755
   0.37338339  0.13913522  0.59146239
  -0.13818903  0.17316784  0.44241976
  -0.20360473  0.02498069  0.32823245
   3.00898462  1.10676045  1.61886464
   0.43976217  0.25202443  0.51770028
   0.44594064  0.36536608  0.76299214
   0.34061191  0.40833662  0.55494571
  -2.40360428 -0.14376875  0.13770963
   0.19444103  0.04391032 -0.05219691
   0.20301343  0.19145266  0.89752176
   0.76554314  1.62930415 -0.09788176
   0.05380459  0.78725542  0.25946566
   0.12262646  0.80146798  0.06628799
   0.67617490  0.82541060  0.39701693
   0.76908069  0.88613441  0.07617069
   0.04958255  0.95426421  0.02548336
   0.50122128  0.58317253  0.42192613
  -0.41309517  0.46473702  0.22247045
   0.18634905  0.35781985  0.54034386
   0.49192742  0.89399377  0.78893835
   0.38984465  0.67854706  0.47042951
   0.77301885  1.54573370  0.87321551
   0.52566339  1.25184226  0.64847614
   0.45306716  0.98679495  0.53894971
   0.10428184  0.76690700 -0.07300259
   0.24701357  0.85482190  1.00194726
   0.65252665 -0.27646790 -0.11055690
   1.07699006  0.18150010 -0.01236979
   1.19004867  0.64945259 -0.05833694
   0.65396718  0.34446903  0.43375773
   0.00000116  0.48378925  0.06155474
   0.67558764  0.79762945 -0.12829865
   0.66757924  0.22069851  0.44774014
   0.35563988  0.15566425  0.48253277
   0.74869036 -0.01578138  0.50162936
   0.95384286  0.33485755  0.88103539
   0.68032299  0.36920310  0.50771774
   0.56953606  0.39389149  1.02714753
   1.29382447  0.65132259  0.43205962
   0.65280004  0.48823306  0.53292048
   0.82434150 -0.08459378  0.90169398
   0.23279194  0.00100276  0.98832309
   0.45345896  0.68759994  0.21492155
   0.55887608  0.89669767  0.13556772
   0.05860607  0.36053512  0.28147193
   1.00496729  1.12541570  0.20804863
   0.80248360  0.85768155  0.00432523
   0.52846870  0.93094511  0.10489539
   1.11694946  0.98872635  0.13042726
   0.43945141  0.75265090  0.39785753
   0.69064183  0.65868219  0.53435146
   0.96904479  0.79519293  0.73021480
   0.64502346  1.42000931  2.18934471
   0.83764282  0.94757238  0.87327411
   0.92392028  0.83589580  0.65970809
   0.63495580  0.96626650  0.69788161
   0.80839152  0.91831575  0.98946172
   0.62537346 -0.37725063  1.24021443
  12.34863650  4.97809135  2.14689429
   3.44380180 -1.41287403  1.84245501
   1.33356802  2.85361286  4.48422691
   3.20627062  1.32490697 -1.81178210
  -8.70633665 -1.07867938 -1.40413987
   3.76043396 -3.37478129  3.11971760
   0.69587067 -0.72499956 -2.74871828
   1.72748320  0.84447064 -0.32599539
   4.16332134 -3.82174100 -3.40969257
   7.20104076 11.83686096  3.49606885
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    16.991240    1.123729   -0.788027
    -0.000000   27.955841    1.686646
    -0.000000    0.000000   38.996931
   Si   O    H 
    32    64    10
Direct configuration=  4065
   0.09146190  0.29700021  0.00194205
   0.12038009  0.16310815  0.45000980
   0.20652603  0.48432123 -0.03767557
   0.84223986 -0.24718875  0.59144302
   0.03617395 -0.32927837  0.03180149
   0.22999661  0.06299133  0.91626236
   0.27661723  0.31755702  0.70463176
   0.17219906  0.26253272  0.64739211
  -0.02032483  0.87917848  0.15191510
   0.41199523  0.60693725  0.44718681
  -0.04743591  0.87860948  0.00368561
   0.24133236  1.00648140  0.16887890
   0.43201681  0.56183601  0.48165478
   0.52570089  0.91611764  0.92453220
   0.09141205  0.85346319  0.70192984
   0.10596433  0.83275346  0.73971295
   0.28871125  0.01460711  0.91428056
   0.59405088  0.14748273  0.41183872
   0.73150763  0.45400690  0.15546881
   1.14934826  0.46432227  0.27409465
   0.50776991  0.13281377  0.42519775
   0.88529879  0.22088406  0.92186091
   0.50537655  0.43122778  0.54071089
   0.96472938  0.38255021  0.90458785
   0.43763475  0.61849281 -0.02230896
   0.48780970  0.37868438  0.53819422
   0.66943915  0.87618350  0.08513049
   0.63027594  0.42440962 -0.40872183
   0.45049833  0.58722752  0.61205441
   0.98978128  0.76157453  0.96726205
   0.49420661  0.82949009  0.77030877
   0.97607683  0.94064541  0.90616584
   0.03135587 -0.07273020  0.05697338
   0.45761391  0.12258301  0.35444275
   0.08055698  0.22823614  0.01585389
   0.34655676  0.57932947  0.37952123
   0.51442163  0.15557641  0.13966679
  -0.00392279  0.36854399  0.21761694
   0.37621060  0.14087758  0.59291065
  -0.13439774  0.17317699  0.44240886
  -0.20374827  0.02428960  0.32795917
   3.09326619  1.13209523  1.64981110
   0.44070625  0.25228885  0.51745369
   0.43491225  0.36093911  0.75914633
   0.33969011  0.40875236  0.55518304
  -2.48290923 -0.18263578  0.11497770
   0.17482747  0.04755287 -0.04488125
   0.20535817  0.19123132  0.89724171
   0.76744522  1.64019610 -0.10016809
   0.05600767  0.79149805  0.26223509
   0.12196203  0.80010892  0.06769897
   0.67930842  0.82589087  0.39794749
   0.76682435  0.88319197  0.07533007
   0.04131098  0.95264196  0.02308596
   0.50509367  0.58163464  0.42124813
  -0.41032203  0.46239393  0.22246127
   0.18470766  0.35839001  0.54006718
   0.49161915  0.89550084  0.78938521
   0.38912401  0.68057407  0.46741703
   0.77683234  1.54651493  0.87397055
   0.52717429  1.24962373  0.64854361
   0.44855039  0.98379194  0.54027850
   0.10257007  0.76694835 -0.07210899
   0.24823614  0.85643118  1.00059591
   0.67675129 -0.29004607 -0.11270055
   1.07590933  0.18292629 -0.01271340
   1.19198120  0.64973553 -0.05728036
   0.65339945  0.34270464  0.43337928
  -0.00066467  0.48180048  0.06202068
   0.67403953  0.79568543 -0.12821641
   0.66629084  0.21905214  0.44624212
   0.35270776  0.15916289  0.48106013
   0.75057596 -0.01671299  0.50052898
   0.95382317  0.33348845  0.88197510
   0.67158161  0.37074194  0.51180253
   0.56756519  0.39360835  1.02782012
   1.29904839  0.65038532  0.43171828
   0.65386105  0.48988635  0.53306358
   0.82436201 -0.08522019  0.90256439
   0.23012758 -0.00359265  0.99264044
   0.45529110  0.68723865  0.21531122
   0.54233281  0.91049441  0.14064157
   0.05620454  0.36019105  0.27893063
   1.00521447  1.12468202  0.20826120
   0.80737265  0.86106208  0.00586363
   0.51934368  0.93401912  0.09733627
   1.11545919  0.98721889  0.12844301
   0.44104674  0.75326669  0.39842047
   0.69154503  0.66076470  0.53390313
   0.97098646  0.79145099  0.73213104
   0.64206502  1.41834802  2.19121485
   0.83592203  0.94860209  0.87335891
   0.92576160  0.83462371  0.65742912
   0.63735591  0.96764180  0.69674893
   0.81304988  0.91561692  0.98993572
   0.62681270 -0.38875766  1.24327455
  12.33553828  5.02193807  2.10539983
   3.47878918 -1.42943278  1.89670294
   1.26285890  2.83434125  4.53540344
   3.21782878  1.26994451 -1.83406020
  -8.68222998 -1.10321215 -1.43353672
   3.64155975 -3.47522794  3.09305288
   0.70315345 -0.70643901 -2.76479175
   1.72324592  0.84844099 -0.32731921
   4.36028083 -3.87211545 -3.39722229
   7.16209256 11.85718482  3.54323456
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    17.294555    1.286291   -0.576713
    -0.000000   28.004810    1.745064
    -0.000000    0.000000   39.095246
   Si   O    H 
    32    64    10
Direct configuration=  4066
   0.09079286  0.29702716  0.00051680
   0.12074489  0.16345013  0.45059599
   0.20894354  0.48528008 -0.03830899
   0.84052618 -0.24734822  0.59176314
   0.03677348 -0.33011385  0.02982781
   0.23389274  0.07098185  0.91456486
   0.27834439  0.31690229  0.70582633
   0.17429147  0.26302202  0.64679636
  -0.02237401  0.88153074  0.15238694
   0.40944636  0.60932151  0.44888082
  -0.04538954  0.87738711  0.00509282
   0.24490616  1.00585651  0.16879667
   0.43138453  0.56184646  0.48183348
   0.52398602  0.91661865  0.92394508
   0.09166982  0.85397265  0.70298933
   0.10264560  0.83500583  0.73765056
   0.28680718  0.01706421  0.90863021
   0.59819318  0.14930575  0.41256460
   0.73162393  0.45588007  0.15510961
   1.15037751  0.46488395  0.27416970
   0.50305863  0.13252783  0.42289641
   0.88824467  0.22174126  0.92296900
   0.50817566  0.43079056  0.54160509
   0.96512977  0.38282694  0.90536083
   0.43416767  0.61626505 -0.02234407
   0.49604933  0.37895605  0.53755647
   0.67029966  0.88066963  0.08520975
   0.62430682  0.42341083 -0.41090736
   0.45098024  0.58612620  0.61354164
   0.99125279  0.76173194  0.96825298
   0.49359446  0.82815108  0.77021766
   0.97869670  0.94187076  0.90637007
   0.02837403 -0.07016062  0.05580774
   0.45945604  0.12216492  0.35810213
   0.08285148  0.22793925  0.01568776
   0.34306324  0.57947278  0.37819290
   0.51193923  0.15413661  0.13905675
  -0.00093638  0.36930906  0.21754241
   0.37680249  0.14154386  0.59460150
  -0.12971144  0.17299739  0.44259360
  -0.20362106  0.02352141  0.32779062
   3.16693186  1.15417860  1.67670441
   0.44041743  0.25211193  0.51693888
   0.42153014  0.35624346  0.75477767
   0.33815060  0.40834435  0.55508633
  -2.54995044 -0.22034708  0.09467098
   0.15330146  0.05011871 -0.03553328
   0.20790764  0.19014875  0.89699049
   0.76805437  1.64673166 -0.10275790
   0.05788223  0.79545522  0.26457788
   0.12170782  0.79891978  0.06958568
   0.68212152  0.82626674  0.39879481
   0.76615459  0.87948624  0.07393535
   0.03344566  0.95024693  0.02197347
   0.51075224  0.58014166  0.41921348
  -0.40661903  0.46128977  0.22208660
   0.18386003  0.35953481  0.53979017
   0.49164179  0.89619935  0.78947842
   0.38701615  0.68238294  0.46422456
   0.78037181  1.54810514  0.87511467
   0.52950844  1.24679046  0.64857543
   0.44532975  0.98182889  0.54143668
   0.10104391  0.76766649 -0.07101251
   0.24841112  0.85807990  0.99919209
   0.69902578 -0.30189050 -0.11443895
   1.07378077  0.18454837 -0.01356933
   1.19330743  0.64941330 -0.05613118
   0.65313596  0.33986572  0.43367245
  -0.00166528  0.47929145  0.06255976
   0.67276873  0.79509988 -0.12817315
   0.66477139  0.21747438  0.44381735
   0.34922160  0.16259985  0.47959702
   0.75158616 -0.01733161  0.49907647
   0.95309258  0.33177115  0.88313094
   0.66363576  0.37268253  0.51471312
   0.56623047  0.39374299  1.02869637
   1.30693725  0.64904874  0.43223047
   0.65564500  0.49102207  0.53241626
   0.82354286 -0.08488016  0.90240624
   0.22630926 -0.00717597  0.99650136
   0.45443187  0.68796871  0.21527652
   0.53035151  0.92380743  0.14310945
   0.05455222  0.35899097  0.27663004
   1.00506977  1.12506719  0.20871259
   0.81197374  0.86577403  0.00915848
   0.51468824  0.93773276  0.09079120
   1.11296826  0.98535983  0.12599927
   0.44263099  0.75423487  0.39884502
   0.69132686  0.66256001  0.53314086
   0.97285667  0.78728846  0.73549640
   0.63895495  1.41525557  2.19222752
   0.83401857  0.94817547  0.87517514
   0.92938195  0.83366158  0.65458619
   0.63882606  0.97057890  0.69594975
   0.81516393  0.91430759  0.98830841
   0.63022573 -0.40098125  1.24644817
  12.34729982  5.06225647  2.06220979
   3.52935807 -1.44885809  1.93027722
   1.22167676  2.81800629  4.58054334
   3.18813301  1.22990288 -1.83560184
  -8.67318516 -1.13960360 -1.45458998
   3.51489855 -3.56893258  3.06390238
   0.71060860 -0.66536814 -2.78280785
   1.71237807  0.83629792 -0.32881873
   4.52383531 -3.91429915 -3.39212136
   7.10131640 11.87436720  3.58662940
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    17.588448    1.448753   -0.366218
    -0.000000   28.048357    1.804031
    -0.000000    0.000000   39.188778
   Si   O    H 
    32    64    10
Direct configuration=  4067
   0.09024792  0.29700998 -0.00067034
   0.12092376  0.16399483  0.45099901
   0.21103241  0.48599814 -0.03902355
   0.83910586 -0.24747727  0.59212135
   0.03732644 -0.33090819  0.02798456
   0.23598255  0.07892769  0.91291441
   0.27991683  0.31602232  0.70701438
   0.17610013  0.26335078  0.64611234
  -0.02422827  0.88388909  0.15275976
   0.40683504  0.61229150  0.44985658
  -0.04318756  0.87620514  0.00629674
   0.24786664  1.00526081  0.16872890
   0.43123018  0.56141441  0.48229648
   0.52268763  0.91705347  0.92335636
   0.09122161  0.85535773  0.70225662
   0.10040431  0.83606470  0.73760134
   0.28579135  0.01850860  0.90368484
   0.60309059  0.15116370  0.41299464
   0.73168330  0.45760127  0.15491302
   1.15113349  0.46526521  0.27423078
   0.49768480  0.13210580  0.42083997
   0.89089486  0.22235255  0.92397910
   0.51123260  0.43233225  0.54234541
   0.96528051  0.38311914  0.90604464
   0.43151200  0.61434769 -0.02237880
   0.50298393  0.37725885  0.53667211
   0.67082634  0.88464714  0.08536536
   0.61877059  0.42257243 -0.41291519
   0.45127353  0.58534697  0.61470334
   0.99253104  0.76200144  0.96896949
   0.49319098  0.82738835  0.77038680
   0.98087265  0.94299682  0.90663801
   0.02579239 -0.06866350  0.05637476
   0.46108464  0.12186451  0.36193168
   0.08474420  0.22719052  0.01531619
   0.33997661  0.57968609  0.37696029
   0.50987029  0.15262818  0.13863126
   0.00169336  0.37023836  0.21785000
   0.37745430  0.14206320  0.59615365
  -0.12543111  0.17287160  0.44267873
  -0.20345736  0.02313899  0.32773468
   3.22993644  1.17385654  1.70033532
   0.44046287  0.25179224  0.51636853
   0.40970094  0.35182654  0.75060900
   0.33653391  0.40803402  0.55484232
  -2.60734889 -0.25400720  0.07679293
   0.13437748  0.05239385 -0.02693916
   0.21027009  0.18898369  0.89679835
   0.76759076  1.65298517 -0.10498185
   0.05942646  0.79896427  0.26691150
   0.12162180  0.79787449  0.07159602
   0.68447990  0.82656876  0.39936655
   0.76595289  0.87619675  0.07266162
   0.02682726  0.94878377  0.01936225
   0.51499624  0.57893872  0.41764351
  -0.40180842  0.45976115  0.22163521
   0.18344206  0.36057610  0.53952949
   0.49190921  0.89601367  0.78948986
   0.38509178  0.68396747  0.46114324
   0.78304523  1.54927940  0.87602745
   0.53159969  1.24429179  0.64830559
   0.44255154  0.98032486  0.54243303
   0.09917816  0.76818434 -0.06988337
   0.24849627  0.85977194  0.99800710
   0.71920842 -0.31275064 -0.11595750
   1.07230119  0.18692747 -0.01391860
   1.19468367  0.64913665 -0.05493466
   0.65344043  0.33723992  0.43406311
  -0.00252874  0.47680463  0.06294642
   0.67137391  0.79500429 -0.12824015
   0.66310371  0.21610449  0.44156229
   0.34640341  0.16593817  0.47846874
   0.75280367 -0.01785665  0.49757107
   0.95265014  0.32994513  0.88437720
   0.65636726  0.37439830  0.51747605
   0.56496995  0.39402611  1.02952219
   1.31459610  0.64769028  0.43284324
   0.65724831  0.49191950  0.53182575
   0.82253113 -0.08637850  0.90423075
   0.22276343 -0.01045911  0.99985922
   0.45388714  0.68843016  0.21542325
   0.51918856  0.93636341  0.14440929
   0.05336414  0.35824005  0.27442332
   1.00446170  1.12519814  0.20917961
   0.81583580  0.86971539  0.01211615
   0.51121875  0.94076728  0.08592956
   1.11087387  0.98364881  0.12387414
   0.44393510  0.75519950  0.39896905
   0.69137284  0.66415053  0.53239230
   0.97402370  0.78363804  0.73845739
   0.63486100  1.41312212  2.19327739
   0.83288336  0.94967364  0.87532977
   0.93291721  0.83284011  0.65207489
   0.63982760  0.97331607  0.69532255
   0.81694922  0.91331141  0.98688571
   0.63323762 -0.41210437  1.24941600
  12.35681799  5.09821732  2.02276362
   3.57187207 -1.46506901  1.96086943
   1.18526923  2.80532244  4.62035447
   3.16311763  1.19380623 -1.83749669
  -8.66302728 -1.17336778 -1.47291512
   3.41130674 -3.65637311  3.03615729
   0.71525245 -0.62731636 -2.79950171
   1.70597843  0.82504873 -0.33046371
   4.66529434 -3.95300421 -3.38800992
   7.04844275 11.88992835  3.62599499
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    17.872146    1.609769   -0.156836
    -0.000000   28.086140    1.863207
    -0.000000    0.000000   39.277338
   Si   O    H 
    32    64    10
Direct configuration=  4068
   0.08988874  0.29697762 -0.00159743
   0.12114653  0.16437470  0.45148997
   0.21304874  0.48685753 -0.03962687
   0.83799569 -0.24762074  0.59247451
   0.03786201 -0.33152912  0.02625960
   0.23737365  0.08611244  0.91158660
   0.28131673  0.31544785  0.70807889
   0.17782958  0.26354488  0.64547762
  -0.02562507  0.88579955  0.15314110
   0.40413248  0.61547693  0.45055364
  -0.04120710  0.87514871  0.00742196
   0.25066885  1.00465680  0.16850306
   0.43132767  0.56072622  0.48294602
   0.52126796  0.91741625  0.92264127
   0.09047736  0.85752633  0.70001073
   0.09864040  0.83600076  0.73923816
   0.28544576  0.01962022  0.89921521
   0.60781453  0.15298954  0.41330896
   0.73181211  0.45914207  0.15475397
   1.15203267  0.46538242  0.27436385
   0.49251034  0.13157701  0.41864005
   0.89336256  0.22288773  0.92506161
   0.51397626  0.43495834  0.54304964
   0.96582820  0.38324712  0.90661948
   0.42943910  0.61291163 -0.02245430
   0.50887200  0.37427710  0.53583758
   0.67096787  0.88841168  0.08553425
   0.61387474  0.42198790 -0.41482004
   0.45172211  0.58478442  0.61586065
   0.99396345  0.76210448  0.96968682
   0.49276765  0.82703845  0.77067426
   0.98305724  0.94391556  0.90679045
   0.02339877 -0.06768017  0.05749522
   0.46217743  0.12174439  0.36559594
   0.08619935  0.22620850  0.01483676
   0.33742004  0.57977727  0.37588917
   0.50819716  0.15112617  0.13830361
   0.00434876  0.37096807  0.21855729
   0.37799505  0.14270810  0.59757013
  -0.12141594  0.17265986  0.44291729
  -0.20332726  0.02264657  0.32763215
   3.28441869  1.19149226  1.72122268
   0.44006579  0.25175805  0.51610342
   0.39948204  0.34788777  0.74692539
   0.33495665  0.40781610  0.55470066
  -2.65657295 -0.28386284  0.06082057
   0.11812686  0.05456139 -0.01923910
   0.21279728  0.18795967  0.89667181
   0.77106558  1.65403893 -0.10591961
   0.06078630  0.80203386  0.26894917
   0.12130623  0.79721601  0.07327537
   0.68678983  0.82672742  0.39975963
   0.76609693  0.87326602  0.07152878
   0.02149669  0.94785661  0.01642427
   0.51849194  0.57809310  0.41646130
  -0.39571486  0.45767848  0.22087226
   0.18298368  0.36151048  0.53930929
   0.49204499  0.89522043  0.78950126
   0.38267777  0.68525315  0.45848441
   0.78534958  1.55030896  0.87683549
   0.53384077  1.24212914  0.64799937
   0.44025579  0.97909579  0.54332499
   0.09765523  0.76859850 -0.06886468
   0.24808263  0.86139988  0.99686860
   0.73275099 -0.31787877 -0.11883903
   1.07133643  0.18945142 -0.01400383
   1.19544567  0.64898208 -0.05375197
   0.65405819  0.33474285  0.43454531
  -0.00348230  0.47459052  0.06332565
   0.67032671  0.79494842 -0.12813261
   0.66174089  0.21468611  0.43952154
   0.34400898  0.16926240  0.47749700
   0.75412633 -0.01888819  0.49624213
   0.95240784  0.32824318  0.88558215
   0.64994403  0.37598245  0.51993710
   0.56341698  0.39439513  1.03013449
   1.32193942  0.64633226  0.43322160
   0.65844335  0.49293813  0.53128270
   0.82124189 -0.08846428  0.90659496
   0.21979422 -0.01354142  1.00298067
   0.45370826  0.68876251  0.21577761
   0.50944060  0.94775676  0.14500088
   0.05187716  0.35771410  0.27236050
   1.00362725  1.12554233  0.20951325
   0.81847140  0.87260163  0.01491617
   0.50861546  0.94314827  0.08216531
   1.10954655  0.98197769  0.12191351
   0.44497788  0.75562307  0.39912520
   0.69157038  0.66586219  0.53163899
   0.97552093  0.78055796  0.74087268
   0.62978572  1.41203657  2.19463619
   0.83194601  0.95171262  0.87491699
   0.93625534  0.83196473  0.64994827
   0.64089045  0.97568927  0.69489629
   0.81887538  0.91268849  0.98540704
   0.63587158 -0.42232517  1.25203671
  12.36518164  5.13057740  1.98750595
   3.60563550 -1.47906116  1.98843997
   1.15271683  2.79393694  4.65637446
   3.14298469  1.16130200 -1.83878452
  -8.65325374 -1.20384646 -1.49003208
   3.32314474 -3.73407806  3.01255622
   0.72091905 -0.59141882 -2.81407942
   1.69923825  0.81477011 -0.33223298
   4.78995951 -3.98915530 -3.38450627
   7.00026812 11.90281783  3.66204143
(Si16O32H5)2   VASP MD nPT 20000fs, step
           1
    18.150146    1.768299    0.050252
    -0.000000   28.124095    1.922335
    -0.000000    0.000000   39.364024
   Si   O    H 
    32    64    10
Direct configuration=  4069
   0.08956032  0.29660621 -0.00204672
   0.12189437  0.16478621  0.45219071
   0.21524670  0.48783585 -0.04044213
   0.83844656 -0.24779438  0.59244422
   0.03822156 -0.33113570  0.02447650
   0.23907434  0.08744342  0.91088653
   0.28037800  0.31439195  0.70817395
   0.18049867  0.26369200  0.64607828
  -0.02634398  0.88788505  0.15282994
   0.40537200  0.61631974  0.45184355
  -0.04100949  0.87290334  0.00928566
   0.25323567  1.00446637  0.16827094
   0.43070755  0.56291236  0.48186932
   0.51944040  0.91803254  0.92202018
   0.09127553  0.85888239  0.70026908
   0.09586579  0.83535714  0.73993606
   0.28309653  0.02460227  0.89545626
   0.60113624  0.15132504  0.41252802
   0.73341538  0.46136117  0.15375623
   1.15295199  0.46550074  0.27451957
   0.49487674  0.13355314  0.41834816
   0.89577469  0.22322004  0.92612303
   0.51808503  0.43545646  0.54392416
   0.96645288  0.38250590  0.90688620
   0.42704120  0.61134455 -0.02258359
   0.51397481  0.37366313  0.53532067
   0.67037458  0.89230326  0.08522516
   0.60753916  0.42174164 -0.41634939
   0.45183133  0.58443756  0.61699848
   0.99536726  0.76169598  0.97072327
   0.49265410  0.82700646  0.77120715
   0.98163294  0.94422159  0.90694887
   0.01963363 -0.06714920  0.05591526
   0.46614507  0.12175434  0.36804605
   0.08709592  0.22704769  0.01421487
   0.33546294  0.58055347  0.37558621
   0.50654413  0.15027433  0.13803184
   0.00734564  0.37111612  0.21973311
   0.37765904  0.14283115  0.59925469
  -0.11812031  0.17262620  0.44333027
  -0.20353555  0.02175986  0.32729450
   3.33018471  1.20757529  1.73901264
   0.43986085  0.25244823  0.51544876
   0.39270148  0.34521708  0.74468875
   0.33336395  0.40678898  0.55400809
  -2.69838603 -0.31046501  0.04713388
   0.10497659  0.05875271 -0.01461735
   0.21346941  0.18811390  0.89640234
   0.78164162  1.65095831 -0.10316373
   0.06165711  0.80435546  0.27114307
   0.12042562  0.79673732  0.07519926
   0.68962488  0.82698401  0.40004070
   0.77065954  0.87018249  0.06991616
   0.02025120  0.94964466  0.01572960
   0.51754954  0.57719946  0.41671513
  -0.38535201  0.45247847  0.21909760
   0.18376911  0.36291807  0.53923417
   0.49230545  0.89361385  0.78927733
   0.37873964  0.68189405  0.45548137
   0.78891054  1.54532957  0.87690529
   0.53676345  1.23978106  0.64754344
   0.43819389  0.97727042  0.54369155
   0.09741479  0.76877395 -0.06760267
   0.24781619  0.86258602  0.99581952
   0.73611840 -0.31488761 -0.12351273
   1.06941853  0.19149626 -0.01485016
   1.19427087  0.64909046 -0.05312742
   0.65478499  0.33325902  0.43489906
  -0.00468024  0.47192398  0.06413047
   0.66758154  0.79792555 -0.12827784
   0.66338320  0.21424317  0.43846894
   0.34333780  0.17191760  0.47519306
   0.75529119 -0.01972443  0.49623604
   0.95235022  0.32864599  0.88701329
   0.64463880  0.37750142  0.52186192
   0.56220415  0.39503271  1.03053492
   1.32893319  0.64637668  0.43399702
   0.65917653  0.49428424  0.53034427
   0.82193403 -0.08938808  0.90787552
   0.21940782 -0.01822444  1.00660805
   0.45447997  0.68836272  0.21606202
   0.49981219  0.95808568  0.14621786
   0.04998573  0.35739574  0.26971531
   0.99888786  1.12546859  0.21085343
   0.82087803  0.87448183  0.01806601
   0.50693968  0.94461248  0.07878800
   1.10696474  0.97971653  0.11995916
   0.44534060  0.75675384  0.39933229
   0.69062110  0.66637530  0.53068211
   0.97773552  0.77926967  0.74167771
   0.62174872  1.41065616  2.19596973
   0.83394425  0.95254149  0.87560878
   0.94101955  0.83343182  0.64945656
   0.64101369  0.97870435  0.69489308
   0.82154981  0.91325332  0.98399108
   0.63710836 -0.43007326  1.25443912
  12.38440442  5.16328972  1.95899463
   3.65335193 -1.50211722  2.01555155
   1.17456405  2.75772175  4.67877422
   3.18826319  1.12890164 -1.86045337
  -8.64765987 -1.21538555 -1.50815842
   3.26052820 -3.80832870  2.99332815
   0.65829383 -0.52104041 -2.78904931
   1.62215740  0.78257112 -0.31112407
   4.91437170 -4.01907070 -3.41130582
   6.88877450 11.92766154  3.65716080